smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc[nH+]c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164911748 721753485 /nfs/dbraw/zinc/75/34/85/721753485.db2.gz YMJTWFNWADKEAL-UHFFFAOYSA-N 2 2 378.476 3.663 20 0 GHADLP CCOc1cc[nH+]c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164911748 721753489 /nfs/dbraw/zinc/75/34/89/721753489.db2.gz YMJTWFNWADKEAL-UHFFFAOYSA-N 2 2 378.476 3.663 20 0 GHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972511 722120030 /nfs/dbraw/zinc/12/00/30/722120030.db2.gz FTHLYEDZTVQHLL-NFBKMPQASA-N 2 2 388.515 3.666 20 0 GHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972511 722120032 /nfs/dbraw/zinc/12/00/32/722120032.db2.gz FTHLYEDZTVQHLL-NFBKMPQASA-N 2 2 388.515 3.666 20 0 GHADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)nn1 ZINC000414389651 837596211 /nfs/dbraw/zinc/59/62/11/837596211.db2.gz GPAYKDIIAXIGAO-APWZRJJASA-N 2 2 378.442 3.977 20 0 GHADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)nn1 ZINC000414389651 837596219 /nfs/dbraw/zinc/59/62/19/837596219.db2.gz GPAYKDIIAXIGAO-APWZRJJASA-N 2 2 378.442 3.977 20 0 GHADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1OCC(C)C ZINC000655700841 837682681 /nfs/dbraw/zinc/68/26/81/837682681.db2.gz MSBNQPWZIWYHDX-YLJYHZDGSA-N 2 2 376.541 3.634 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NCCCC[N@H+]3CCCC[C@@H]3C)cn2c1 ZINC000046990096 834424302 /nfs/dbraw/zinc/42/43/02/834424302.db2.gz AWAXWFUNFWVHGJ-SFHVURJKSA-N 2 2 388.581 3.647 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)cn2c1 ZINC000046990096 834424304 /nfs/dbraw/zinc/42/43/04/834424304.db2.gz AWAXWFUNFWVHGJ-SFHVURJKSA-N 2 2 388.581 3.647 20 0 GHADLP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548799152 834604526 /nfs/dbraw/zinc/60/45/26/834604526.db2.gz IVIMNBHBLSNRRA-QGZVFWFLSA-N 2 2 384.499 3.875 20 0 GHADLP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548799152 834604529 /nfs/dbraw/zinc/60/45/29/834604529.db2.gz IVIMNBHBLSNRRA-QGZVFWFLSA-N 2 2 384.499 3.875 20 0 GHADLP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000584440030 834619612 /nfs/dbraw/zinc/61/96/12/834619612.db2.gz YKBXJIZWNLCTBQ-JOCHJYFZSA-N 3 2 378.564 3.942 20 0 GHADLP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000584440030 834619617 /nfs/dbraw/zinc/61/96/17/834619617.db2.gz YKBXJIZWNLCTBQ-JOCHJYFZSA-N 3 2 378.564 3.942 20 0 GHADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000583597790 834720234 /nfs/dbraw/zinc/72/02/34/834720234.db2.gz FDVHWTWUUKHVOP-TZIWHRDSSA-N 2 2 385.556 3.661 20 0 GHADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000583597790 834720237 /nfs/dbraw/zinc/72/02/37/834720237.db2.gz FDVHWTWUUKHVOP-TZIWHRDSSA-N 2 2 385.556 3.661 20 0 GHADLP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001143449766 834801330 /nfs/dbraw/zinc/80/13/30/834801330.db2.gz BWXOZUKOYHSGPX-MOPGFXCFSA-N 2 2 392.469 3.701 20 0 GHADLP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001143449766 834801335 /nfs/dbraw/zinc/80/13/35/834801335.db2.gz BWXOZUKOYHSGPX-MOPGFXCFSA-N 2 2 392.469 3.701 20 0 GHADLP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001143449766 834801345 /nfs/dbraw/zinc/80/13/45/834801345.db2.gz BWXOZUKOYHSGPX-MOPGFXCFSA-N 2 2 392.469 3.701 20 0 GHADLP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001143449766 834801355 /nfs/dbraw/zinc/80/13/55/834801355.db2.gz BWXOZUKOYHSGPX-MOPGFXCFSA-N 2 2 392.469 3.701 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000151143551 835032989 /nfs/dbraw/zinc/03/29/89/835032989.db2.gz TVMSESDQKRAUTP-MRXNPFEDSA-N 2 2 379.495 3.880 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000151143551 835032996 /nfs/dbraw/zinc/03/29/96/835032996.db2.gz TVMSESDQKRAUTP-MRXNPFEDSA-N 2 2 379.495 3.880 20 0 GHADLP C[C@@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000511298251 835087252 /nfs/dbraw/zinc/08/72/52/835087252.db2.gz SIYXKCVASUYDAN-RCJHGTSTSA-N 2 2 395.950 3.994 20 0 GHADLP C[C@@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000511298251 835087261 /nfs/dbraw/zinc/08/72/61/835087261.db2.gz SIYXKCVASUYDAN-RCJHGTSTSA-N 2 2 395.950 3.994 20 0 GHADLP c1cn(-c2ccc(C[NH2+]Cc3cccc(COC[C@H]4CCCO4)c3)cc2)c[nH+]1 ZINC000657802996 835203352 /nfs/dbraw/zinc/20/33/52/835203352.db2.gz HNTSMDAYOBIOLF-HSZRJFAPSA-N 2 2 377.488 3.858 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@H]3CSCCc4ccccc43)C2)cc1 ZINC000683229303 835320912 /nfs/dbraw/zinc/32/09/12/835320912.db2.gz BHDMFUREHBINSA-GMAHTHKFSA-N 2 2 382.573 3.898 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@H]3CSCCc4ccccc43)C2)cc1 ZINC000683229303 835320921 /nfs/dbraw/zinc/32/09/21/835320921.db2.gz BHDMFUREHBINSA-GMAHTHKFSA-N 2 2 382.573 3.898 20 0 GHADLP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000655272168 835464513 /nfs/dbraw/zinc/46/45/13/835464513.db2.gz UGFKAGHZDVUZLE-LJQANCHMSA-N 2 2 386.584 3.826 20 0 GHADLP Brc1cccc(C2CC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)c1 ZINC000658293789 835558797 /nfs/dbraw/zinc/55/87/97/835558797.db2.gz COHGHJLLIPSPLT-XUJQIHCRSA-N 2 2 379.342 3.538 20 0 GHADLP Fc1cc(Br)ccc1[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000658296549 835561754 /nfs/dbraw/zinc/56/17/54/835561754.db2.gz UAUPZLJKMPOCMQ-VQIMIIECSA-N 2 2 397.332 3.882 20 0 GHADLP c1cc2c(s1)C1(CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC1)OCC2 ZINC000420955473 835792027 /nfs/dbraw/zinc/79/20/27/835792027.db2.gz XFZPEEBZNSMPJA-UHFFFAOYSA-N 2 2 398.572 3.644 20 0 GHADLP FC(F)(F)c1ccn(-c2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc2)n1 ZINC000092648459 844144692 /nfs/dbraw/zinc/14/46/92/844144692.db2.gz QLLQEQXWKSGCIR-UHFFFAOYSA-N 2 2 375.398 3.925 20 0 GHADLP COc1ccc(C)cc1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000548932189 836279559 /nfs/dbraw/zinc/27/95/59/836279559.db2.gz UILNPADRTLZBBX-JOCHJYFZSA-N 2 2 395.547 3.832 20 0 GHADLP COc1ccc(C)cc1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000548932189 836279570 /nfs/dbraw/zinc/27/95/70/836279570.db2.gz UILNPADRTLZBBX-JOCHJYFZSA-N 2 2 395.547 3.832 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000174302651 836419620 /nfs/dbraw/zinc/41/96/20/836419620.db2.gz FKJZEQICBFBWMK-SFHVURJKSA-N 2 2 397.519 3.506 20 0 GHADLP CCC[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000170768548 836678052 /nfs/dbraw/zinc/67/80/52/836678052.db2.gz VHHJYKQLDVBBCY-JOCHJYFZSA-N 2 2 381.520 3.588 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)C2 ZINC000376063818 836731987 /nfs/dbraw/zinc/73/19/87/836731987.db2.gz BIICDRVUPLIEER-IBGZPJMESA-N 2 2 382.552 3.795 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)C2 ZINC000376063818 836731992 /nfs/dbraw/zinc/73/19/92/836731992.db2.gz BIICDRVUPLIEER-IBGZPJMESA-N 2 2 382.552 3.795 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)CC2 ZINC000376063818 836731995 /nfs/dbraw/zinc/73/19/95/836731995.db2.gz BIICDRVUPLIEER-IBGZPJMESA-N 2 2 382.552 3.795 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)CC2 ZINC000376063818 836731999 /nfs/dbraw/zinc/73/19/99/836731999.db2.gz BIICDRVUPLIEER-IBGZPJMESA-N 2 2 382.552 3.795 20 0 GHADLP CC(C)c1ccc2occ(C(=O)N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2c1 ZINC000376072760 836752914 /nfs/dbraw/zinc/75/29/14/836752914.db2.gz BCSDFCKLSKADTI-IBGZPJMESA-N 2 2 383.536 3.797 20 0 GHADLP CC(C)c1ccc2occ(C(=O)N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2c1 ZINC000376072760 836752922 /nfs/dbraw/zinc/75/29/22/836752922.db2.gz BCSDFCKLSKADTI-IBGZPJMESA-N 2 2 383.536 3.797 20 0 GHADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000431687270 836810365 /nfs/dbraw/zinc/81/03/65/836810365.db2.gz WXYSTJGTGFYDIH-TZIWHRDSSA-N 2 2 383.540 3.572 20 0 GHADLP Cc1cccc(C)c1NC(=O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000155361408 836879610 /nfs/dbraw/zinc/87/96/10/836879610.db2.gz HFOQKFXAFGMIKL-UHFFFAOYSA-N 2 2 383.511 3.678 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000175731149 836969479 /nfs/dbraw/zinc/96/94/79/836969479.db2.gz MLHXGHDIQMQTKS-GLJUWKHASA-N 2 2 386.367 3.833 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000175731149 836969489 /nfs/dbraw/zinc/96/94/89/836969489.db2.gz MLHXGHDIQMQTKS-GLJUWKHASA-N 2 2 386.367 3.833 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000175731149 836969493 /nfs/dbraw/zinc/96/94/93/836969493.db2.gz MLHXGHDIQMQTKS-GLJUWKHASA-N 2 2 386.367 3.833 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000175731149 836969502 /nfs/dbraw/zinc/96/95/02/836969502.db2.gz MLHXGHDIQMQTKS-GLJUWKHASA-N 2 2 386.367 3.833 20 0 GHADLP CN(C(=O)c1ccc(C2CC2)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612961001 837021868 /nfs/dbraw/zinc/02/18/68/837021868.db2.gz VQWAOSWTLLCJHK-GOTSBHOMSA-N 2 2 383.580 3.973 20 0 GHADLP CN(C(=O)c1ccc(C2CC2)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612961001 837021888 /nfs/dbraw/zinc/02/18/88/837021888.db2.gz VQWAOSWTLLCJHK-GOTSBHOMSA-N 2 2 383.580 3.973 20 0 GHADLP CSc1cc(C)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000612961096 837024628 /nfs/dbraw/zinc/02/46/28/837024628.db2.gz WCKHJXWYRSLKFE-ROUUACIJSA-N 2 2 393.597 3.719 20 0 GHADLP CSc1cc(C)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000612961096 837024645 /nfs/dbraw/zinc/02/46/45/837024645.db2.gz WCKHJXWYRSLKFE-ROUUACIJSA-N 2 2 393.597 3.719 20 0 GHADLP OC1(C[NH2+][C@@H](CCc2ccccc2)C(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000414311849 837044763 /nfs/dbraw/zinc/04/47/63/837044763.db2.gz VRAWIXDYRWCMRX-NRFANRHFSA-N 2 2 388.502 3.870 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CC[C@@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000237413761 837215131 /nfs/dbraw/zinc/21/51/31/837215131.db2.gz VCDJNXOYCSSOAS-DBXWQHBBSA-N 2 2 381.520 3.715 20 0 GHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2c[nH]c3nccnc23)cc1 ZINC000685847773 837266224 /nfs/dbraw/zinc/26/62/24/837266224.db2.gz WADACNUPMGEZPB-UHFFFAOYSA-N 2 2 390.491 3.597 20 0 GHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2c[nH]c3nccnc23)cc1 ZINC000685847773 837266231 /nfs/dbraw/zinc/26/62/31/837266231.db2.gz WADACNUPMGEZPB-UHFFFAOYSA-N 2 2 390.491 3.597 20 0 GHADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000579925718 837370824 /nfs/dbraw/zinc/37/08/24/837370824.db2.gz DUOIQMAOSHRBGQ-PKOBYXMFSA-N 2 2 392.906 3.714 20 0 GHADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000579925718 837370835 /nfs/dbraw/zinc/37/08/35/837370835.db2.gz DUOIQMAOSHRBGQ-PKOBYXMFSA-N 2 2 392.906 3.714 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000377837874 838041897 /nfs/dbraw/zinc/04/18/97/838041897.db2.gz SDLVIUKIGFQAJY-GOSISDBHSA-N 2 2 392.503 3.841 20 0 GHADLP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000415913264 838269190 /nfs/dbraw/zinc/26/91/90/838269190.db2.gz PFQIBNYAZGRTND-NHCUHLMSSA-N 2 2 375.476 3.653 20 0 GHADLP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000415936579 838290334 /nfs/dbraw/zinc/29/03/34/838290334.db2.gz WVVOLOZTJZATDF-WOJBJXKFSA-N 2 2 388.462 3.641 20 0 GHADLP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000415936579 838290340 /nfs/dbraw/zinc/29/03/40/838290340.db2.gz WVVOLOZTJZATDF-WOJBJXKFSA-N 2 2 388.462 3.641 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000415953428 838312052 /nfs/dbraw/zinc/31/20/52/838312052.db2.gz GVDSTWONJZSKFA-RTBURBONSA-N 2 2 390.890 3.895 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000415953428 838312060 /nfs/dbraw/zinc/31/20/60/838312060.db2.gz GVDSTWONJZSKFA-RTBURBONSA-N 2 2 390.890 3.895 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796675367 838517140 /nfs/dbraw/zinc/51/71/40/838517140.db2.gz NMNUQLPTCIPYCZ-KRWDZBQOSA-N 2 2 376.545 3.623 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124213100 838957899 /nfs/dbraw/zinc/95/78/99/838957899.db2.gz BRDXRHOTVRMYED-UONOGXRCSA-N 2 2 383.323 3.778 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124213100 838957904 /nfs/dbraw/zinc/95/79/04/838957904.db2.gz BRDXRHOTVRMYED-UONOGXRCSA-N 2 2 383.323 3.778 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc(OC)c1OCc1ccccc1 ZINC000125530913 839518680 /nfs/dbraw/zinc/51/86/80/839518680.db2.gz NLTHVRWOJTYGEY-IBGZPJMESA-N 2 2 384.520 3.666 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc(OC)c1OCc1ccccc1 ZINC000125530913 839518693 /nfs/dbraw/zinc/51/86/93/839518693.db2.gz NLTHVRWOJTYGEY-IBGZPJMESA-N 2 2 384.520 3.666 20 0 GHADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000580499317 839694847 /nfs/dbraw/zinc/69/48/47/839694847.db2.gz WMCIQKJZFVSQBG-ISJGIBHGSA-N 3 2 386.543 3.932 20 0 GHADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000580499317 839694853 /nfs/dbraw/zinc/69/48/53/839694853.db2.gz WMCIQKJZFVSQBG-ISJGIBHGSA-N 3 2 386.543 3.932 20 0 GHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000656254160 839827255 /nfs/dbraw/zinc/82/72/55/839827255.db2.gz CCQYOGCYMAVSQS-INIZCTEOSA-N 2 2 391.357 3.717 20 0 GHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000656254160 839827263 /nfs/dbraw/zinc/82/72/63/839827263.db2.gz CCQYOGCYMAVSQS-INIZCTEOSA-N 2 2 391.357 3.717 20 0 GHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000656254160 839827269 /nfs/dbraw/zinc/82/72/69/839827269.db2.gz CCQYOGCYMAVSQS-INIZCTEOSA-N 2 2 391.357 3.717 20 0 GHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000656254160 839827271 /nfs/dbraw/zinc/82/72/71/839827271.db2.gz CCQYOGCYMAVSQS-INIZCTEOSA-N 2 2 391.357 3.717 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000656253333 839835132 /nfs/dbraw/zinc/83/51/32/839835132.db2.gz KAMZXMHBMXVGSJ-KDOFPFPSSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000656253333 839835138 /nfs/dbraw/zinc/83/51/38/839835138.db2.gz KAMZXMHBMXVGSJ-KDOFPFPSSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000656253333 839835143 /nfs/dbraw/zinc/83/51/43/839835143.db2.gz KAMZXMHBMXVGSJ-KDOFPFPSSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000656253333 839835149 /nfs/dbraw/zinc/83/51/49/839835149.db2.gz KAMZXMHBMXVGSJ-KDOFPFPSSA-N 2 2 391.357 3.858 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCOCC3)c2)C[C@@H]1c1ccccc1 ZINC000580662181 839972203 /nfs/dbraw/zinc/97/22/03/839972203.db2.gz FWOAPKZKXXXDIT-RBBKRZOGSA-N 2 2 381.520 3.565 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCOCC3)c2)C[C@@H]1c1ccccc1 ZINC000580662181 839972210 /nfs/dbraw/zinc/97/22/10/839972210.db2.gz FWOAPKZKXXXDIT-RBBKRZOGSA-N 2 2 381.520 3.565 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000048122216 840282587 /nfs/dbraw/zinc/28/25/87/840282587.db2.gz WTPYFEJNVZIUNU-UHFFFAOYSA-N 2 2 376.504 3.703 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)[C@H]2CCCN(CC(F)(F)F)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000684093115 840322502 /nfs/dbraw/zinc/32/25/02/840322502.db2.gz KESNGSCUOFUUEJ-NEWSRXKRSA-N 2 2 397.485 3.525 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)[C@H]2CCCN(CC(F)(F)F)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000684093115 840322519 /nfs/dbraw/zinc/32/25/19/840322519.db2.gz KESNGSCUOFUUEJ-NEWSRXKRSA-N 2 2 397.485 3.525 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)[C@H]2CCCN(CC(F)(F)F)C2=O)CC[NH+]1Cc1ccccc1 ZINC000684093115 840322533 /nfs/dbraw/zinc/32/25/33/840322533.db2.gz KESNGSCUOFUUEJ-NEWSRXKRSA-N 2 2 397.485 3.525 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CCCN(CC(F)(F)F)C2=O)CC[NH+]1Cc1ccccc1 ZINC000684093115 840322548 /nfs/dbraw/zinc/32/25/48/840322548.db2.gz KESNGSCUOFUUEJ-NEWSRXKRSA-N 2 2 397.485 3.525 20 0 GHADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000580980106 840556214 /nfs/dbraw/zinc/55/62/14/840556214.db2.gz WETRQUPBENHTPH-UKRRQHHQSA-N 2 2 389.284 3.967 20 0 GHADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000580980106 840556225 /nfs/dbraw/zinc/55/62/25/840556225.db2.gz WETRQUPBENHTPH-UKRRQHHQSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000580980106 840556234 /nfs/dbraw/zinc/55/62/34/840556234.db2.gz WETRQUPBENHTPH-UKRRQHHQSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000580980106 840556239 /nfs/dbraw/zinc/55/62/39/840556239.db2.gz WETRQUPBENHTPH-UKRRQHHQSA-N 2 2 389.284 3.967 20 0 GHADLP CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000660481563 840625084 /nfs/dbraw/zinc/62/50/84/840625084.db2.gz QYFDTQPLRXRWAM-OALUTQOASA-N 2 2 386.584 3.684 20 0 GHADLP CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000660481563 840625090 /nfs/dbraw/zinc/62/50/90/840625090.db2.gz QYFDTQPLRXRWAM-OALUTQOASA-N 2 2 386.584 3.684 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000584768180 840810672 /nfs/dbraw/zinc/81/06/72/840810672.db2.gz NUMRFRNWIRNZHA-GOSISDBHSA-N 2 2 379.976 3.634 20 0 GHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000584768180 840810684 /nfs/dbraw/zinc/81/06/84/840810684.db2.gz NUMRFRNWIRNZHA-GOSISDBHSA-N 2 2 379.976 3.634 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000581210510 840854953 /nfs/dbraw/zinc/85/49/53/840854953.db2.gz NNYDEMKJIQHBDE-BWKNWUBXSA-N 2 2 393.575 3.662 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430542162 840944713 /nfs/dbraw/zinc/94/47/13/840944713.db2.gz CJZWJCWHSDMMLF-TUAOUCFPSA-N 2 2 377.838 3.745 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430542162 840944716 /nfs/dbraw/zinc/94/47/16/840944716.db2.gz CJZWJCWHSDMMLF-TUAOUCFPSA-N 2 2 377.838 3.745 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000430542160 840945304 /nfs/dbraw/zinc/94/53/04/840945304.db2.gz CJZWJCWHSDMMLF-SDDRHHMPSA-N 2 2 377.838 3.745 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000430542160 840945309 /nfs/dbraw/zinc/94/53/09/840945309.db2.gz CJZWJCWHSDMMLF-SDDRHHMPSA-N 2 2 377.838 3.745 20 0 GHADLP CC[N@@H+](Cc1ccccc1C(=O)N(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000417785282 841195946 /nfs/dbraw/zinc/19/59/46/841195946.db2.gz DPUDRAUJLVONNN-UHFFFAOYSA-N 2 2 380.536 3.522 20 0 GHADLP CC[N@H+](Cc1ccccc1C(=O)N(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000417785282 841195957 /nfs/dbraw/zinc/19/59/57/841195957.db2.gz DPUDRAUJLVONNN-UHFFFAOYSA-N 2 2 380.536 3.522 20 0 GHADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430598071 841360062 /nfs/dbraw/zinc/36/00/62/841360062.db2.gz NPIFWTKZCSTXIK-NLWGTHIKSA-N 2 2 381.520 3.652 20 0 GHADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430598071 841360076 /nfs/dbraw/zinc/36/00/76/841360076.db2.gz NPIFWTKZCSTXIK-NLWGTHIKSA-N 2 2 381.520 3.652 20 0 GHADLP Cc1cc(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc(C)[nH+]1 ZINC000661333277 841633121 /nfs/dbraw/zinc/63/31/21/841633121.db2.gz NENDLGOAASKNHZ-JOCHJYFZSA-N 2 2 392.547 3.800 20 0 GHADLP Cc1cc(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc(C)[nH+]1 ZINC000661333277 841633129 /nfs/dbraw/zinc/63/31/29/841633129.db2.gz NENDLGOAASKNHZ-JOCHJYFZSA-N 2 2 392.547 3.800 20 0 GHADLP CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1F ZINC000661487421 841805136 /nfs/dbraw/zinc/80/51/36/841805136.db2.gz OSFVLVYHJDDXFV-HSZRJFAPSA-N 2 2 399.510 3.583 20 0 GHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)Cn1cc(Br)cn1)c1ccccc1 ZINC000468900290 842124573 /nfs/dbraw/zinc/12/45/73/842124573.db2.gz HMAIHPLULUKIHU-MAUKXSAKSA-N 2 2 379.346 3.707 20 0 GHADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000512044698 842300193 /nfs/dbraw/zinc/30/01/93/842300193.db2.gz HANNKSMHTATDKQ-XJUOHMSHSA-N 2 2 387.612 3.718 20 0 GHADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000512044698 842300206 /nfs/dbraw/zinc/30/02/06/842300206.db2.gz HANNKSMHTATDKQ-XJUOHMSHSA-N 2 2 387.612 3.718 20 0 GHADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000512044698 842300219 /nfs/dbraw/zinc/30/02/19/842300219.db2.gz HANNKSMHTATDKQ-XJUOHMSHSA-N 2 2 387.612 3.718 20 0 GHADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000512044698 842300233 /nfs/dbraw/zinc/30/02/33/842300233.db2.gz HANNKSMHTATDKQ-XJUOHMSHSA-N 2 2 387.612 3.718 20 0 GHADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000276602481 842351368 /nfs/dbraw/zinc/35/13/68/842351368.db2.gz GWJXZNFQBILYIS-KGLIPLIRSA-N 2 2 393.778 3.631 20 0 GHADLP Brc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390912675 842411060 /nfs/dbraw/zinc/41/10/60/842411060.db2.gz QEGBIUHNMVJOKW-HXUWFJFHSA-N 2 2 389.337 3.830 20 0 GHADLP Brc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390912675 842411063 /nfs/dbraw/zinc/41/10/63/842411063.db2.gz QEGBIUHNMVJOKW-HXUWFJFHSA-N 2 2 389.337 3.830 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000581936625 842759233 /nfs/dbraw/zinc/75/92/33/842759233.db2.gz ZCKWXAVQKQGROZ-INIZCTEOSA-N 2 2 378.476 3.749 20 0 GHADLP C[C@H](CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000430753195 842930783 /nfs/dbraw/zinc/93/07/83/842930783.db2.gz JLABREFBRASCCU-MDZRGWNJSA-N 2 2 395.950 3.758 20 0 GHADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(OCC(F)(F)F)c1Br ZINC000662264814 843032126 /nfs/dbraw/zinc/03/21/26/843032126.db2.gz MMAYTVGHUIBFKB-WDEREUQCSA-N 2 2 381.236 3.559 20 0 GHADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(OCC(F)(F)F)c1Br ZINC000662264814 843032129 /nfs/dbraw/zinc/03/21/29/843032129.db2.gz MMAYTVGHUIBFKB-WDEREUQCSA-N 2 2 381.236 3.559 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)cc1 ZINC000512200454 843065645 /nfs/dbraw/zinc/06/56/45/843065645.db2.gz FJFHGXQCVKCYHO-UHFFFAOYSA-N 2 2 379.548 3.830 20 0 GHADLP CC[N@H+](CC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Cc1ccccc1Cl ZINC000555622648 861420762 /nfs/dbraw/zinc/42/07/62/861420762.db2.gz PRNKUUJGLFEGFA-NQIIRXRSSA-N 2 2 389.971 3.637 20 0 GHADLP CC[N@@H+](CC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Cc1ccccc1Cl ZINC000555622648 861420773 /nfs/dbraw/zinc/42/07/73/861420773.db2.gz PRNKUUJGLFEGFA-NQIIRXRSSA-N 2 2 389.971 3.637 20 0 GHADLP CC[NH+](CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Cc1ccccc1Cl ZINC000555622648 861420782 /nfs/dbraw/zinc/42/07/82/861420782.db2.gz PRNKUUJGLFEGFA-NQIIRXRSSA-N 2 2 389.971 3.637 20 0 GHADLP CC[NH+](CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Cc1ccccc1Cl ZINC000555622648 861420796 /nfs/dbraw/zinc/42/07/96/861420796.db2.gz PRNKUUJGLFEGFA-NQIIRXRSSA-N 2 2 389.971 3.637 20 0 GHADLP [NH3+]CCC[C@H](NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000418673378 843525524 /nfs/dbraw/zinc/52/55/24/843525524.db2.gz NKJKHULCGKQOHB-HHMVEJHFSA-N 2 2 392.547 3.507 20 0 GHADLP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)Cc1ccc(C(C)(C)C)cc1 ZINC000512903589 843955126 /nfs/dbraw/zinc/95/51/26/843955126.db2.gz BXARRTFFAJMSAO-JJXTWPQTSA-N 2 2 399.623 3.836 20 0 GHADLP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)Cc1ccc(C(C)(C)C)cc1 ZINC000512903589 843955133 /nfs/dbraw/zinc/95/51/33/843955133.db2.gz BXARRTFFAJMSAO-JJXTWPQTSA-N 2 2 399.623 3.836 20 0 GHADLP O=C(CCCC[NH+]1CCCC1)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000729372593 844907535 /nfs/dbraw/zinc/90/75/35/844907535.db2.gz RSLBAMSCVAOZAK-UHFFFAOYSA-N 2 2 394.523 3.528 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000512674290 844995069 /nfs/dbraw/zinc/99/50/69/844995069.db2.gz VLRFWBQLOSXJDE-HDICACEKSA-N 2 2 399.501 3.618 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000512674290 844995072 /nfs/dbraw/zinc/99/50/72/844995072.db2.gz VLRFWBQLOSXJDE-HDICACEKSA-N 2 2 399.501 3.618 20 0 GHADLP COCc1ccccc1/C=C(/C)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000512727632 845206930 /nfs/dbraw/zinc/20/69/30/845206930.db2.gz JKEWXEQLIKRYFJ-IJKLPWTBSA-N 2 2 394.559 3.805 20 0 GHADLP COCc1ccccc1/C=C(/C)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000512727632 845206943 /nfs/dbraw/zinc/20/69/43/845206943.db2.gz JKEWXEQLIKRYFJ-IJKLPWTBSA-N 2 2 394.559 3.805 20 0 GHADLP COCc1ccccc1/C=C(/C)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000512727632 845206957 /nfs/dbraw/zinc/20/69/57/845206957.db2.gz JKEWXEQLIKRYFJ-IJKLPWTBSA-N 2 2 394.559 3.805 20 0 GHADLP COCc1ccccc1/C=C(/C)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000512727632 845206970 /nfs/dbraw/zinc/20/69/70/845206970.db2.gz JKEWXEQLIKRYFJ-IJKLPWTBSA-N 2 2 394.559 3.805 20 0 GHADLP CC(C)Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)[NH+](C)C)cc1 ZINC000513396327 845352366 /nfs/dbraw/zinc/35/23/66/845352366.db2.gz PWPGEAIRDUMYCG-RTWAWAEBSA-N 2 2 397.567 3.800 20 0 GHADLP CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000431316085 845835879 /nfs/dbraw/zinc/83/58/79/845835879.db2.gz BJQCEYZBFCPFQN-WBADGQHESA-N 2 2 398.595 3.521 20 0 GHADLP CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000431316085 845835889 /nfs/dbraw/zinc/83/58/89/845835889.db2.gz BJQCEYZBFCPFQN-WBADGQHESA-N 2 2 398.595 3.521 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4nnc5n4CCCCC5)[C@H]3C2)cc1 ZINC000513655972 846199221 /nfs/dbraw/zinc/19/92/21/846199221.db2.gz PJRQPGRRKOOBLL-FDFHNCONSA-N 2 2 393.579 3.785 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4nnc5n4CCCCC5)[C@H]3C2)cc1 ZINC000513655972 846199230 /nfs/dbraw/zinc/19/92/30/846199230.db2.gz PJRQPGRRKOOBLL-FDFHNCONSA-N 2 2 393.579 3.785 20 0 GHADLP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)[N@@H+]1CCc2ccccc2C1 ZINC000513668048 846215526 /nfs/dbraw/zinc/21/55/26/846215526.db2.gz VGTRQOZBLRZEJU-JTSKRJEESA-N 2 2 393.531 3.751 20 0 GHADLP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)[N@H+]1CCc2ccccc2C1 ZINC000513668048 846215529 /nfs/dbraw/zinc/21/55/29/846215529.db2.gz VGTRQOZBLRZEJU-JTSKRJEESA-N 2 2 393.531 3.751 20 0 GHADLP Cc1nc2cc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2o1 ZINC000279982937 846253559 /nfs/dbraw/zinc/25/35/59/846253559.db2.gz JWXGHWFPPKXQHO-SFTDATJTSA-N 2 2 398.551 3.545 20 0 GHADLP Cc1nc2cc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2o1 ZINC000279982937 846253567 /nfs/dbraw/zinc/25/35/67/846253567.db2.gz JWXGHWFPPKXQHO-SFTDATJTSA-N 2 2 398.551 3.545 20 0 GHADLP Cn1c[nH+]cc1CCN(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000298104948 846388591 /nfs/dbraw/zinc/38/85/91/846388591.db2.gz NSTALKDPDZWJHT-DEOSSOPVSA-N 2 2 389.547 3.524 20 0 GHADLP Cn1c[nH+]cc1CCN(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000298104948 846388601 /nfs/dbraw/zinc/38/86/01/846388601.db2.gz NSTALKDPDZWJHT-DEOSSOPVSA-N 2 2 389.547 3.524 20 0 GHADLP COc1ccc([C@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)C2CC2)c(F)c1 ZINC000421838327 846630469 /nfs/dbraw/zinc/63/04/69/846630469.db2.gz UKDMEAAVVGOKQX-HTAPYJJXSA-N 2 2 384.499 3.933 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000422005205 846743144 /nfs/dbraw/zinc/74/31/44/846743144.db2.gz INCJAWWDYKNZBY-UHFFFAOYSA-N 2 2 384.351 3.626 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000422005205 846743152 /nfs/dbraw/zinc/74/31/52/846743152.db2.gz INCJAWWDYKNZBY-UHFFFAOYSA-N 2 2 384.351 3.626 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)CC1 ZINC000422026191 846756746 /nfs/dbraw/zinc/75/67/46/846756746.db2.gz UJLCAPHDNLLWRT-CEMLEFRQSA-N 2 2 375.601 3.612 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)CC1 ZINC000422026191 846756750 /nfs/dbraw/zinc/75/67/50/846756750.db2.gz UJLCAPHDNLLWRT-CEMLEFRQSA-N 2 2 375.601 3.612 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](CC(C)C)c3ccccc3)CC2)CC1 ZINC000422015649 846768958 /nfs/dbraw/zinc/76/89/58/846768958.db2.gz HGXLJTTYDPPJNZ-HSZRJFAPSA-N 2 2 385.596 3.835 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](CC(C)C)c3ccccc3)CC2)CC1 ZINC000422015649 846768962 /nfs/dbraw/zinc/76/89/62/846768962.db2.gz HGXLJTTYDPPJNZ-HSZRJFAPSA-N 2 2 385.596 3.835 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(Oc4ccccc4)o3)CC2)CC1 ZINC000422020197 846771400 /nfs/dbraw/zinc/77/14/00/846771400.db2.gz MMFUDJUEKFAXPL-UHFFFAOYSA-N 2 2 397.519 3.704 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(Oc4ccccc4)o3)CC2)CC1 ZINC000422020197 846771407 /nfs/dbraw/zinc/77/14/07/846771407.db2.gz MMFUDJUEKFAXPL-UHFFFAOYSA-N 2 2 397.519 3.704 20 0 GHADLP CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422153218 846857840 /nfs/dbraw/zinc/85/78/40/846857840.db2.gz IVTHQIVAYDDREF-CTNGQTDRSA-N 2 2 378.605 3.547 20 0 GHADLP CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422153218 846857847 /nfs/dbraw/zinc/85/78/47/846857847.db2.gz IVTHQIVAYDDREF-CTNGQTDRSA-N 2 2 378.605 3.547 20 0 GHADLP CC[NH+]1CCC([NH2+]Cc2ccc(I)cc2Cl)CC1 ZINC000501412095 846897951 /nfs/dbraw/zinc/89/79/51/846897951.db2.gz KYFQQWQYUGQTGT-UHFFFAOYSA-N 2 2 378.685 3.519 20 0 GHADLP CCC[NH+]1CCC([NH2+]Cc2ccc(I)cc2Cl)CC1 ZINC000501454164 846937975 /nfs/dbraw/zinc/93/79/75/846937975.db2.gz OHVSVIYZWLWQMN-UHFFFAOYSA-N 2 2 392.712 3.909 20 0 GHADLP COc1ccccc1N1CC[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000272491750 847090494 /nfs/dbraw/zinc/09/04/94/847090494.db2.gz CKBRSVOMDYWMNA-INIZCTEOSA-N 2 2 385.474 3.528 20 0 GHADLP CCn1cc(Cl)cc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001268968203 847102243 /nfs/dbraw/zinc/10/22/43/847102243.db2.gz ZJNJUWPKTYAGHM-OALUTQOASA-N 2 2 394.991 3.571 20 0 GHADLP CCn1cc(Cl)cc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001268968203 847102253 /nfs/dbraw/zinc/10/22/53/847102253.db2.gz ZJNJUWPKTYAGHM-OALUTQOASA-N 2 2 394.991 3.571 20 0 GHADLP C[C@@]1(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)CC[NH2+]C1 ZINC000262085320 847111478 /nfs/dbraw/zinc/11/14/78/847111478.db2.gz UGIGYQFDOJNMNH-CRAIPNDOSA-N 2 2 391.313 3.636 20 0 GHADLP C[C@@]1(C[N@H+]2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)CC[NH2+]C1 ZINC000262085320 847111484 /nfs/dbraw/zinc/11/14/84/847111484.db2.gz UGIGYQFDOJNMNH-CRAIPNDOSA-N 2 2 391.313 3.636 20 0 GHADLP CN(C(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000420381729 847149647 /nfs/dbraw/zinc/14/96/47/847149647.db2.gz ZIMGKQSIVBXVHQ-UPVQGACJSA-N 2 2 397.538 3.871 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000420407401 847171248 /nfs/dbraw/zinc/17/12/48/847171248.db2.gz VEJFHOWUKVPFMU-SUNYJGFJSA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000420407401 847171256 /nfs/dbraw/zinc/17/12/56/847171256.db2.gz VEJFHOWUKVPFMU-SUNYJGFJSA-N 2 2 384.351 3.635 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000563351850 847177892 /nfs/dbraw/zinc/17/78/92/847177892.db2.gz BGCVQEGHOWHCEH-AWEZNQCLSA-N 2 2 387.281 3.827 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000563351850 847177898 /nfs/dbraw/zinc/17/78/98/847177898.db2.gz BGCVQEGHOWHCEH-AWEZNQCLSA-N 2 2 387.281 3.827 20 0 GHADLP CC[C@@H](C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)[N@H+](C)Cc1ccccc1 ZINC000582518482 847471530 /nfs/dbraw/zinc/47/15/30/847471530.db2.gz QVTULGSJYISGEX-NRFANRHFSA-N 2 2 381.520 3.670 20 0 GHADLP CC[C@@H](C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000582518482 847471538 /nfs/dbraw/zinc/47/15/38/847471538.db2.gz QVTULGSJYISGEX-NRFANRHFSA-N 2 2 381.520 3.670 20 0 GHADLP Cc1cccc(NC2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)c1 ZINC000420928514 847548815 /nfs/dbraw/zinc/54/88/15/847548815.db2.gz BNFLGSJZMWYTCP-UHFFFAOYSA-N 2 2 379.548 3.904 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc4c3CCCC4)CC2)CC1 ZINC000421032064 847631790 /nfs/dbraw/zinc/63/17/90/847631790.db2.gz GTDMSRBIATWYHI-UHFFFAOYSA-N 2 2 384.568 3.589 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc4c3CCCC4)CC2)CC1 ZINC000421032064 847631794 /nfs/dbraw/zinc/63/17/94/847631794.db2.gz GTDMSRBIATWYHI-UHFFFAOYSA-N 2 2 384.568 3.589 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000503403716 847667787 /nfs/dbraw/zinc/66/77/87/847667787.db2.gz DOJQVQFPZVNJJS-DYXWJJEUSA-N 2 2 384.568 3.580 20 0 GHADLP O=C(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000503403716 847667789 /nfs/dbraw/zinc/66/77/89/847667789.db2.gz DOJQVQFPZVNJJS-DYXWJJEUSA-N 2 2 384.568 3.580 20 0 GHADLP Cc1cc(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc(C)[nH+]1 ZINC000421066181 847680386 /nfs/dbraw/zinc/68/03/86/847680386.db2.gz LGOMCQGJDCEHDA-UHFFFAOYSA-N 2 2 382.508 3.885 20 0 GHADLP Cc1ccc(NC(=O)CC[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)nc1 ZINC000582601659 847744345 /nfs/dbraw/zinc/74/43/45/847744345.db2.gz QVUWWWFBFQFAML-HXUWFJFHSA-N 2 2 377.492 3.563 20 0 GHADLP COc1cc2c(c(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c1)O[C@H](C)C2 ZINC000502344954 847779998 /nfs/dbraw/zinc/77/99/98/847779998.db2.gz JJZRRZZNSCEBMM-SJORKVTESA-N 2 2 381.520 3.931 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422842375 847862854 /nfs/dbraw/zinc/86/28/54/847862854.db2.gz FQMLMHFVXBRRTN-ZCYQVOJMSA-N 3 2 391.559 3.539 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423061850 847957670 /nfs/dbraw/zinc/95/76/70/847957670.db2.gz ROFOBRGCXVSKES-WNHJNPCNSA-N 2 2 386.458 3.562 20 0 GHADLP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000604201863 861940188 /nfs/dbraw/zinc/94/01/88/861940188.db2.gz LZDVKEHIUKTVHT-HXUWFJFHSA-N 2 2 381.524 3.526 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000673833937 861941931 /nfs/dbraw/zinc/94/19/31/861941931.db2.gz PSQJYXHAIHVIPO-QFIPXVFZSA-N 2 2 392.478 3.601 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000673833937 861941941 /nfs/dbraw/zinc/94/19/41/861941941.db2.gz PSQJYXHAIHVIPO-QFIPXVFZSA-N 2 2 392.478 3.601 20 0 GHADLP CCN1CC[C@]2(CCC[N@@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)C1=O ZINC001168045657 861946247 /nfs/dbraw/zinc/94/62/47/861946247.db2.gz LFJMYBQHUMEVEF-MNHFLQJXSA-N 2 2 383.580 3.762 20 0 GHADLP CCN1CC[C@]2(CCC[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)C1=O ZINC001168045657 861946250 /nfs/dbraw/zinc/94/62/50/861946250.db2.gz LFJMYBQHUMEVEF-MNHFLQJXSA-N 2 2 383.580 3.762 20 0 GHADLP CCN1CC[C@]2(CCC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)C1=O ZINC001168045657 861946255 /nfs/dbraw/zinc/94/62/55/861946255.db2.gz LFJMYBQHUMEVEF-MNHFLQJXSA-N 2 2 383.580 3.762 20 0 GHADLP CCN1CC[C@]2(CCC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)C1=O ZINC001168045657 861946260 /nfs/dbraw/zinc/94/62/60/861946260.db2.gz LFJMYBQHUMEVEF-MNHFLQJXSA-N 2 2 383.580 3.762 20 0 GHADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750689 849594882 /nfs/dbraw/zinc/59/48/82/849594882.db2.gz LSDIEWRUFQAZMS-JOCHJYFZSA-N 2 2 396.579 3.572 20 0 GHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000423248031 849829766 /nfs/dbraw/zinc/82/97/66/849829766.db2.gz RHYKWNXPSNLAFW-QRWLVFNGSA-N 2 2 375.538 3.532 20 0 GHADLP COC[C@]1(C[NH2+][C@H]2c3cc(Br)ccc3SC[C@@H]2C)CCC[NH2+]1 ZINC000423409474 849912836 /nfs/dbraw/zinc/91/28/36/849912836.db2.gz BRDRZEBQQIZBGM-JCURWCKSSA-N 2 2 385.371 3.590 20 0 GHADLP CN(C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)C(c1ccccc1)c1ccccc1 ZINC000435004139 849987328 /nfs/dbraw/zinc/98/73/28/849987328.db2.gz QRGIKXVEIGUDLH-UHFFFAOYSA-N 2 2 388.515 3.837 20 0 GHADLP CC[N@H+](CC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)Cc1ccccc1Cl ZINC000504343126 850023157 /nfs/dbraw/zinc/02/31/57/850023157.db2.gz LSRVDORJEKWMSG-QZTJIDSGSA-N 2 2 391.987 3.931 20 0 GHADLP CC[N@@H+](CC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)Cc1ccccc1Cl ZINC000504343126 850023166 /nfs/dbraw/zinc/02/31/66/850023166.db2.gz LSRVDORJEKWMSG-QZTJIDSGSA-N 2 2 391.987 3.931 20 0 GHADLP CC[NH+](CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)Cc1ccccc1Cl ZINC000504343126 850023173 /nfs/dbraw/zinc/02/31/73/850023173.db2.gz LSRVDORJEKWMSG-QZTJIDSGSA-N 2 2 391.987 3.931 20 0 GHADLP CC[NH+](CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)Cc1ccccc1Cl ZINC000504343126 850023183 /nfs/dbraw/zinc/02/31/83/850023183.db2.gz LSRVDORJEKWMSG-QZTJIDSGSA-N 2 2 391.987 3.931 20 0 GHADLP c1cc2c(nc[nH+]c2NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)[nH]1 ZINC000505597489 850052962 /nfs/dbraw/zinc/05/29/62/850052962.db2.gz RFRLNIMAFYHYHA-UHFFFAOYSA-N 2 2 380.455 3.904 20 0 GHADLP FC(F)COc1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435433763 850491164 /nfs/dbraw/zinc/49/11/64/850491164.db2.gz PCQUEMDBNJDXEO-KRWDZBQOSA-N 2 2 393.503 3.931 20 0 GHADLP FC(F)COc1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435433763 850491173 /nfs/dbraw/zinc/49/11/73/850491173.db2.gz PCQUEMDBNJDXEO-KRWDZBQOSA-N 2 2 393.503 3.931 20 0 GHADLP Cc1ncsc1C[N@@H+](Cc1ccc(Oc2cnccn2)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435440089 850530142 /nfs/dbraw/zinc/53/01/42/850530142.db2.gz ZGNNXLQCMSMYJS-GOSISDBHSA-N 2 2 395.532 3.646 20 0 GHADLP Cc1ncsc1C[N@H+](Cc1ccc(Oc2cnccn2)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435440089 850530154 /nfs/dbraw/zinc/53/01/54/850530154.db2.gz ZGNNXLQCMSMYJS-GOSISDBHSA-N 2 2 395.532 3.646 20 0 GHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000505129292 850653622 /nfs/dbraw/zinc/65/36/22/850653622.db2.gz OPHZFCRTUYHSPQ-QHCPKHFHSA-N 2 2 390.531 3.818 20 0 GHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000505129292 850653627 /nfs/dbraw/zinc/65/36/27/850653627.db2.gz OPHZFCRTUYHSPQ-QHCPKHFHSA-N 2 2 390.531 3.818 20 0 GHADLP CCn1ccnc1C[N@H+](CCOc1cccc(Cl)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435690873 850769265 /nfs/dbraw/zinc/76/92/65/850769265.db2.gz BYQGHVNJTDGYLE-IBGZPJMESA-N 2 2 388.943 3.580 20 0 GHADLP CCn1ccnc1C[N@@H+](CCOc1cccc(Cl)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435690873 850769275 /nfs/dbraw/zinc/76/92/75/850769275.db2.gz BYQGHVNJTDGYLE-IBGZPJMESA-N 2 2 388.943 3.580 20 0 GHADLP Cc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000515259068 850835094 /nfs/dbraw/zinc/83/50/94/850835094.db2.gz LNSYRXIYYAAHEI-NHCUHLMSSA-N 2 2 391.625 3.785 20 0 GHADLP Cc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000515259068 850835100 /nfs/dbraw/zinc/83/51/00/850835100.db2.gz LNSYRXIYYAAHEI-NHCUHLMSSA-N 2 2 391.625 3.785 20 0 GHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000487922313 850980936 /nfs/dbraw/zinc/98/09/36/850980936.db2.gz UGDIOWKCUYIRQC-OALUTQOASA-N 2 2 386.536 3.617 20 0 GHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000487922313 850980947 /nfs/dbraw/zinc/98/09/47/850980947.db2.gz UGDIOWKCUYIRQC-OALUTQOASA-N 2 2 386.536 3.617 20 0 GHADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000487922313 850980959 /nfs/dbraw/zinc/98/09/59/850980959.db2.gz UGDIOWKCUYIRQC-OALUTQOASA-N 2 2 386.536 3.617 20 0 GHADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000487922313 850980969 /nfs/dbraw/zinc/98/09/69/850980969.db2.gz UGDIOWKCUYIRQC-OALUTQOASA-N 2 2 386.536 3.617 20 0 GHADLP Cc1cc(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)c2ccccc2[nH+]1 ZINC000515480774 851080599 /nfs/dbraw/zinc/08/05/99/851080599.db2.gz YZDTVRSSKZTCSB-KRWDZBQOSA-N 2 2 392.478 3.832 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC(C)(C)C[C@@H]3c3ccccc3)CC2)CC1 ZINC000425444211 851125265 /nfs/dbraw/zinc/12/52/65/851125265.db2.gz LZUJXSGNJHCPIK-JOCHJYFZSA-N 2 2 398.595 3.728 20 0 GHADLP OCC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)cc1 ZINC000515534285 851141993 /nfs/dbraw/zinc/14/19/93/851141993.db2.gz SDOLSOAAJBZTNU-YADHBBJMSA-N 2 2 388.939 3.644 20 0 GHADLP OCC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)cc1 ZINC000515534285 851142002 /nfs/dbraw/zinc/14/20/02/851142002.db2.gz SDOLSOAAJBZTNU-YADHBBJMSA-N 2 2 388.939 3.644 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)Nc1nc2c(s1)C[NH+](C(C)(C)C)CC2)c1ccccc1 ZINC000425084759 851165853 /nfs/dbraw/zinc/16/58/53/851165853.db2.gz RGEYRUJESQKFLB-SFHVURJKSA-N 2 2 386.565 3.931 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)Nc1nc2c(s1)C[NH+](C(C)(C)C)CC2)c1ccccc1 ZINC000425084759 851165858 /nfs/dbraw/zinc/16/58/58/851165858.db2.gz RGEYRUJESQKFLB-SFHVURJKSA-N 2 2 386.565 3.931 20 0 GHADLP CC[NH+](C)[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)c1ccccc1 ZINC000425084759 851165866 /nfs/dbraw/zinc/16/58/66/851165866.db2.gz RGEYRUJESQKFLB-SFHVURJKSA-N 2 2 386.565 3.931 20 0 GHADLP CC[NH+](C)[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)c1ccccc1 ZINC000425084759 851165875 /nfs/dbraw/zinc/16/58/75/851165875.db2.gz RGEYRUJESQKFLB-SFHVURJKSA-N 2 2 386.565 3.931 20 0 GHADLP OCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc(Br)c1 ZINC000488144947 851203396 /nfs/dbraw/zinc/20/33/96/851203396.db2.gz FVHVKWXGXBYLQD-UHFFFAOYSA-N 2 2 386.293 3.629 20 0 GHADLP OCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc(Br)c1 ZINC000488144947 851203401 /nfs/dbraw/zinc/20/34/01/851203401.db2.gz FVHVKWXGXBYLQD-UHFFFAOYSA-N 2 2 386.293 3.629 20 0 GHADLP c1nn(Cc2ccccc2)cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434672737 851465124 /nfs/dbraw/zinc/46/51/24/851465124.db2.gz ZLUUTRQZIVDQFV-UHFFFAOYSA-N 2 2 375.520 3.844 20 0 GHADLP C[NH+](C)CCOc1ccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000425145326 851509608 /nfs/dbraw/zinc/50/96/08/851509608.db2.gz OAUBRBVGKGSACM-FQEVSTJZSA-N 2 2 378.476 3.511 20 0 GHADLP C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000509981287 851532400 /nfs/dbraw/zinc/53/24/00/851532400.db2.gz FTPMPBPIXNRXFD-UHFFFAOYSA-N 2 2 390.531 3.568 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000101600889 851721771 /nfs/dbraw/zinc/72/17/71/851721771.db2.gz JVFNFBCAVZJLKE-LJQANCHMSA-N 2 2 389.927 3.632 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000101600889 851721777 /nfs/dbraw/zinc/72/17/77/851721777.db2.gz JVFNFBCAVZJLKE-LJQANCHMSA-N 2 2 389.927 3.632 20 0 GHADLP Cc1cc(NC(=O)C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000664837813 851876584 /nfs/dbraw/zinc/87/65/84/851876584.db2.gz JRKZZIMVSPOXKP-JOCHJYFZSA-N 2 2 396.535 3.544 20 0 GHADLP Cc1cc(NC(=O)C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000664837813 851876594 /nfs/dbraw/zinc/87/65/94/851876594.db2.gz JRKZZIMVSPOXKP-JOCHJYFZSA-N 2 2 396.535 3.544 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180725267 862299955 /nfs/dbraw/zinc/29/99/55/862299955.db2.gz ZXUGYCCUZJYROQ-DNVCBOLYSA-N 2 2 380.879 3.982 20 0 GHADLP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000489273871 852177617 /nfs/dbraw/zinc/17/76/17/852177617.db2.gz ZTJYAPDBCKCWBP-HSZRJFAPSA-N 2 2 393.531 3.764 20 0 GHADLP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000489273871 852177623 /nfs/dbraw/zinc/17/76/23/852177623.db2.gz ZTJYAPDBCKCWBP-HSZRJFAPSA-N 2 2 393.531 3.764 20 0 GHADLP CC[C@H](C)Oc1ccccc1/C=C/C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559265 862356387 /nfs/dbraw/zinc/35/63/87/862356387.db2.gz JVRBZKPNBYZNMI-NUBZLUIHSA-N 2 2 399.579 3.504 20 0 GHADLP CC[C@H](C)Oc1ccccc1/C=C/C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559265 862356404 /nfs/dbraw/zinc/35/64/04/862356404.db2.gz JVRBZKPNBYZNMI-NUBZLUIHSA-N 2 2 399.579 3.504 20 0 GHADLP CCn1c(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc2c1cccc2F ZINC000489605356 852481606 /nfs/dbraw/zinc/48/16/06/852481606.db2.gz OKYHBKYYYMBBHR-CALCHBBNSA-N 2 2 388.531 3.517 20 0 GHADLP CCn1c(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc2c1cccc2F ZINC000489605356 852481612 /nfs/dbraw/zinc/48/16/12/852481612.db2.gz OKYHBKYYYMBBHR-CALCHBBNSA-N 2 2 388.531 3.517 20 0 GHADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000425676462 852597334 /nfs/dbraw/zinc/59/73/34/852597334.db2.gz SHAKRDTUVZPPLJ-UZLBHIALSA-N 2 2 381.524 3.737 20 0 GHADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000425676462 852597342 /nfs/dbraw/zinc/59/73/42/852597342.db2.gz SHAKRDTUVZPPLJ-UZLBHIALSA-N 2 2 381.524 3.737 20 0 GHADLP C[C@@H](c1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000518025408 852748359 /nfs/dbraw/zinc/74/83/59/852748359.db2.gz JZQVIZULPORUKU-WMZHIEFXSA-N 2 2 393.531 3.683 20 0 GHADLP C[C@@H](c1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000518025408 852748362 /nfs/dbraw/zinc/74/83/62/852748362.db2.gz JZQVIZULPORUKU-WMZHIEFXSA-N 2 2 393.531 3.683 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519598779 852781594 /nfs/dbraw/zinc/78/15/94/852781594.db2.gz HYVNMHDSEDRKEM-KMDXXIMOSA-N 3 2 397.607 3.541 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519598779 852781598 /nfs/dbraw/zinc/78/15/98/852781598.db2.gz HYVNMHDSEDRKEM-KMDXXIMOSA-N 3 2 397.607 3.541 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000180897506 862396274 /nfs/dbraw/zinc/39/62/74/862396274.db2.gz DTHDMACSYYWCPR-KRWDZBQOSA-N 2 2 399.457 3.543 20 0 GHADLP OC[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Cc1c(F)cccc1Cl ZINC000507497288 852958893 /nfs/dbraw/zinc/95/88/93/852958893.db2.gz RKIVKBHCPVXZOY-CYBMUJFWSA-N 2 2 396.856 3.637 20 0 GHADLP COc1ccc([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c(Cl)c1 ZINC000516760775 852969982 /nfs/dbraw/zinc/96/99/82/852969982.db2.gz NEQMQMWTQBSSLX-VGSWGCGISA-N 2 2 387.955 3.988 20 0 GHADLP CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000516858539 853087013 /nfs/dbraw/zinc/08/70/13/853087013.db2.gz MJCZZKRVFFJNFC-RBSFLKMASA-N 2 2 398.536 3.600 20 0 GHADLP CC[C@@H](C)[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1 ZINC000507660072 853161470 /nfs/dbraw/zinc/16/14/70/853161470.db2.gz WRRDMXHOULYSSZ-HXUWFJFHSA-N 2 2 395.547 3.758 20 0 GHADLP CC[C@@H](C)[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1 ZINC000507660072 853161475 /nfs/dbraw/zinc/16/14/75/853161475.db2.gz WRRDMXHOULYSSZ-HXUWFJFHSA-N 2 2 395.547 3.758 20 0 GHADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491063689 853434110 /nfs/dbraw/zinc/43/41/10/853434110.db2.gz VHVUZHGXGHDLOH-IFMALSPDSA-N 2 2 375.601 3.970 20 0 GHADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491063689 853434122 /nfs/dbraw/zinc/43/41/22/853434122.db2.gz VHVUZHGXGHDLOH-IFMALSPDSA-N 2 2 375.601 3.970 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2ccc3c(c2)C[NH2+]C3)c(C)c1 ZINC000570909931 853503078 /nfs/dbraw/zinc/50/30/78/853503078.db2.gz PCIVMGFDMOYPCJ-NRFANRHFSA-N 2 2 375.476 3.666 20 0 GHADLP C[NH+](C)CCC[C@@H]1CN(c2cc[nH+]c3cc(F)c(Br)cc32)CCO1 ZINC000664655636 853519180 /nfs/dbraw/zinc/51/91/80/853519180.db2.gz BOWNREWNSFRMNW-CYBMUJFWSA-N 2 2 396.304 3.683 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000440798452 853617616 /nfs/dbraw/zinc/61/76/16/853617616.db2.gz PPRYQZCONWICBD-UZKOGDIHSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000440798452 853617620 /nfs/dbraw/zinc/61/76/20/853617620.db2.gz PPRYQZCONWICBD-UZKOGDIHSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c(C)c1 ZINC000440873219 853717949 /nfs/dbraw/zinc/71/79/49/853717949.db2.gz IKDLTTFITSRGFX-UYAOXDASSA-N 2 2 385.556 3.517 20 0 GHADLP CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000520218930 853970003 /nfs/dbraw/zinc/97/00/03/853970003.db2.gz INPYPZCRPUKAAN-QFIPXVFZSA-N 2 2 393.531 3.758 20 0 GHADLP CC(C)Sc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000571749838 854039661 /nfs/dbraw/zinc/03/96/61/854039661.db2.gz YELAJQIKMLDCAJ-OHSMVPPVSA-N 2 2 389.609 3.921 20 0 GHADLP CC(C)Sc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000571749838 854039666 /nfs/dbraw/zinc/03/96/66/854039666.db2.gz YELAJQIKMLDCAJ-OHSMVPPVSA-N 2 2 389.609 3.921 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NCc2ccc(F)cc2)c(C)c1 ZINC000441372104 854155756 /nfs/dbraw/zinc/15/57/56/854155756.db2.gz BFOLAFMTVGBYEK-PGRDOPGGSA-N 2 2 394.494 3.675 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NCc2ccc(F)cc2)c(C)c1 ZINC000441372102 854156089 /nfs/dbraw/zinc/15/60/89/854156089.db2.gz BFOLAFMTVGBYEK-AVRDEDQJSA-N 2 2 394.494 3.675 20 0 GHADLP CC(C)[C@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@@H](C)[NH3+] ZINC000571796020 854158234 /nfs/dbraw/zinc/15/82/34/854158234.db2.gz TYZKIGVVPXDALS-JPYJTQIMSA-N 2 2 390.531 3.834 20 0 GHADLP O=C(C[NH+]1CCC2(CCCCC2)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000588169851 854196523 /nfs/dbraw/zinc/19/65/23/854196523.db2.gz QIYLUSRDNZMPKP-UHFFFAOYSA-N 2 2 385.552 3.504 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000129509293 854343859 /nfs/dbraw/zinc/34/38/59/854343859.db2.gz VFRRDEUDQLZLDQ-HSZRJFAPSA-N 2 2 391.515 3.831 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC000129509293 854343863 /nfs/dbraw/zinc/34/38/63/854343863.db2.gz VFRRDEUDQLZLDQ-HSZRJFAPSA-N 2 2 391.515 3.831 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000588689752 854360860 /nfs/dbraw/zinc/36/08/60/854360860.db2.gz QZKOHYFRWLTQNE-PKOBYXMFSA-N 2 2 376.953 3.959 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000588689752 854360864 /nfs/dbraw/zinc/36/08/64/854360864.db2.gz QZKOHYFRWLTQNE-PKOBYXMFSA-N 2 2 376.953 3.959 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)c(Br)cc1F ZINC000624014684 862582896 /nfs/dbraw/zinc/58/28/96/862582896.db2.gz DUQACMATRLNBNP-DGCLKSJQSA-N 2 2 389.284 3.631 20 0 GHADLP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624015404 862585207 /nfs/dbraw/zinc/58/52/07/862585207.db2.gz WPLQMDPFNVJYQU-WFASDCNBSA-N 2 2 391.865 3.528 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000328968098 854635652 /nfs/dbraw/zinc/63/56/52/854635652.db2.gz TZLILJPKTYTOQN-NRFANRHFSA-N 2 2 376.508 3.525 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000328968098 854635656 /nfs/dbraw/zinc/63/56/56/854635656.db2.gz TZLILJPKTYTOQN-NRFANRHFSA-N 2 2 376.508 3.525 20 0 GHADLP COc1ccc([C@H]2C[C@@H]([NH2+]CC3CCN(c4cccc[nH+]4)CC3)CCO2)cc1 ZINC001168603720 854682039 /nfs/dbraw/zinc/68/20/39/854682039.db2.gz XOGGMEYYZBZHLB-RBBKRZOGSA-N 2 2 381.520 3.817 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000536303211 854685125 /nfs/dbraw/zinc/68/51/25/854685125.db2.gz VIBOXSANBWKEPW-MSOLQXFVSA-N 2 2 384.351 3.513 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000536303211 854685128 /nfs/dbraw/zinc/68/51/28/854685128.db2.gz VIBOXSANBWKEPW-MSOLQXFVSA-N 2 2 384.351 3.513 20 0 GHADLP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OCCC ZINC000765800370 854865173 /nfs/dbraw/zinc/86/51/73/854865173.db2.gz ZZTAIGCNTPODSE-SXLOBPIMSA-N 2 2 376.541 3.778 20 0 GHADLP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1OCCC ZINC000765800370 854865180 /nfs/dbraw/zinc/86/51/80/854865180.db2.gz ZZTAIGCNTPODSE-SXLOBPIMSA-N 2 2 376.541 3.778 20 0 GHADLP COc1ccc2c(c1F)CC[C@H]2Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000572639685 854913516 /nfs/dbraw/zinc/91/35/16/854913516.db2.gz RZMDNIHJTMGZLZ-LJQANCHMSA-N 2 2 384.499 3.859 20 0 GHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008501 862629245 /nfs/dbraw/zinc/62/92/45/862629245.db2.gz BOXXKGZGTFPUHS-FDDCHVKYSA-N 2 2 395.522 3.742 20 0 GHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008501 862629253 /nfs/dbraw/zinc/62/92/53/862629253.db2.gz BOXXKGZGTFPUHS-FDDCHVKYSA-N 2 2 395.522 3.742 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000624085817 862635554 /nfs/dbraw/zinc/63/55/54/862635554.db2.gz DWKBQRGNPQHMSK-OLMNPRSZSA-N 2 2 384.351 3.559 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000624085817 862635557 /nfs/dbraw/zinc/63/55/57/862635557.db2.gz DWKBQRGNPQHMSK-OLMNPRSZSA-N 2 2 384.351 3.559 20 0 GHADLP FC(F)(F)[C@@H]1C[N@H+](Cc2ccccc2)CCN1C1CC[NH+](CC2CC2)CC1 ZINC001168394951 855167256 /nfs/dbraw/zinc/16/72/56/855167256.db2.gz ICJKCUPFZITKSB-FQEVSTJZSA-N 2 2 381.486 3.610 20 0 GHADLP FC(F)(F)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C1CC[NH+](CC2CC2)CC1 ZINC001168394951 855167261 /nfs/dbraw/zinc/16/72/61/855167261.db2.gz ICJKCUPFZITKSB-FQEVSTJZSA-N 2 2 381.486 3.610 20 0 GHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000590611514 855508927 /nfs/dbraw/zinc/50/89/27/855508927.db2.gz MWXNARPAUGLCBO-JOCHJYFZSA-N 2 2 377.532 3.890 20 0 GHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000590611514 855508930 /nfs/dbraw/zinc/50/89/30/855508930.db2.gz MWXNARPAUGLCBO-JOCHJYFZSA-N 2 2 377.532 3.890 20 0 GHADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000590728122 855547611 /nfs/dbraw/zinc/54/76/11/855547611.db2.gz QNRFYMFKJLWZLF-QHCPKHFHSA-N 2 2 388.515 3.992 20 0 GHADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000590728122 855547621 /nfs/dbraw/zinc/54/76/21/855547621.db2.gz QNRFYMFKJLWZLF-QHCPKHFHSA-N 2 2 388.515 3.992 20 0 GHADLP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590863106 855635078 /nfs/dbraw/zinc/63/50/78/855635078.db2.gz XPQKGQKKQRBSDF-QFIPXVFZSA-N 2 2 395.551 3.806 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)o1 ZINC000590919499 855652646 /nfs/dbraw/zinc/65/26/46/855652646.db2.gz RRIHHAFURPJKJG-SFHVURJKSA-N 2 2 399.535 3.649 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000237186620 855682299 /nfs/dbraw/zinc/68/22/99/855682299.db2.gz JGEPNQVQKAEARK-ZWKOTPCHSA-N 2 2 378.923 3.995 20 0 GHADLP COC(=O)C(C)(C)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000591473482 856040556 /nfs/dbraw/zinc/04/05/56/856040556.db2.gz UKLOSUIGXQJCPS-QFIPXVFZSA-N 2 2 396.531 3.549 20 0 GHADLP CC(C)[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)c1ccccc1 ZINC000428836744 856044737 /nfs/dbraw/zinc/04/47/37/856044737.db2.gz FVYJNSFFLGJWEW-HXUWFJFHSA-N 2 2 395.547 3.929 20 0 GHADLP CC(C)[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)c1ccccc1 ZINC000428836744 856044783 /nfs/dbraw/zinc/04/47/83/856044783.db2.gz FVYJNSFFLGJWEW-HXUWFJFHSA-N 2 2 395.547 3.929 20 0 GHADLP COc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000542852445 856139788 /nfs/dbraw/zinc/13/97/88/856139788.db2.gz DELJGIAICXQXKI-KBXCAEBGSA-N 2 2 379.342 3.906 20 0 GHADLP COc1cc(Br)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000542852445 856139791 /nfs/dbraw/zinc/13/97/91/856139791.db2.gz DELJGIAICXQXKI-KBXCAEBGSA-N 2 2 379.342 3.906 20 0 GHADLP COc1cc(Br)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000542852445 856139796 /nfs/dbraw/zinc/13/97/96/856139796.db2.gz DELJGIAICXQXKI-KBXCAEBGSA-N 2 2 379.342 3.906 20 0 GHADLP COc1cc(Br)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000542852445 856139800 /nfs/dbraw/zinc/13/98/00/856139800.db2.gz DELJGIAICXQXKI-KBXCAEBGSA-N 2 2 379.342 3.906 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccco1 ZINC000303928378 856204457 /nfs/dbraw/zinc/20/44/57/856204457.db2.gz QBXZGMHFAVULIR-JOCHJYFZSA-N 2 2 391.515 3.701 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000760904474 856399831 /nfs/dbraw/zinc/39/98/31/856399831.db2.gz BTDFVOGWEUNPBE-BXDDPRONSA-N 2 2 379.548 3.712 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000760904474 856399845 /nfs/dbraw/zinc/39/98/45/856399845.db2.gz BTDFVOGWEUNPBE-BXDDPRONSA-N 2 2 379.548 3.712 20 0 GHADLP C[C@H](CC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC000573806307 856490295 /nfs/dbraw/zinc/49/02/95/856490295.db2.gz BJYMKHZEESAGHS-AUSIDOKSSA-N 2 2 394.563 3.983 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043517520 856537800 /nfs/dbraw/zinc/53/78/00/856537800.db2.gz MONYWBWUYRRVBP-GOSISDBHSA-N 2 2 399.564 3.525 20 0 GHADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000760933744 856664081 /nfs/dbraw/zinc/66/40/81/856664081.db2.gz OOMABVLMKGRGGO-IBGZPJMESA-N 2 2 380.374 3.614 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000665254013 857024632 /nfs/dbraw/zinc/02/46/32/857024632.db2.gz FZZSITDSZYWUPR-NLSFWIRASA-N 3 2 385.527 3.562 20 0 GHADLP CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282171681 857106541 /nfs/dbraw/zinc/10/65/41/857106541.db2.gz VBUGJGPPGJVHMR-GOSISDBHSA-N 2 2 396.535 3.826 20 0 GHADLP CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282171681 857106551 /nfs/dbraw/zinc/10/65/51/857106551.db2.gz VBUGJGPPGJVHMR-GOSISDBHSA-N 2 2 396.535 3.826 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cc1F ZINC000665258811 857203549 /nfs/dbraw/zinc/20/35/49/857203549.db2.gz MAFHFUBHJIXZIO-BUVFEPMLSA-N 2 2 394.494 3.816 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129428399 857258050 /nfs/dbraw/zinc/25/80/50/857258050.db2.gz VYLFKLIBGNNNCI-DHSIGJKJSA-N 2 2 390.915 3.764 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129428399 857258057 /nfs/dbraw/zinc/25/80/57/857258057.db2.gz VYLFKLIBGNNNCI-DHSIGJKJSA-N 2 2 390.915 3.764 20 0 GHADLP C[N@H+](CCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C1CCCCC1 ZINC000058793305 857362634 /nfs/dbraw/zinc/36/26/34/857362634.db2.gz ZCIWSTZNOQULKV-OAQYLSRUSA-N 2 2 389.609 3.547 20 0 GHADLP C[N@@H+](CCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C1CCCCC1 ZINC000058793305 857362651 /nfs/dbraw/zinc/36/26/51/857362651.db2.gz ZCIWSTZNOQULKV-OAQYLSRUSA-N 2 2 389.609 3.547 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC([NH+]3CCCC3)CC2)c(C)c1 ZINC000442244964 857650235 /nfs/dbraw/zinc/65/02/35/857650235.db2.gz VSBFOBXFUPNKQE-QFIPXVFZSA-N 2 2 395.551 3.511 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC[NH+](C(C)C)C(C)C)c(C)c1 ZINC000442233962 857660522 /nfs/dbraw/zinc/66/05/22/857660522.db2.gz DUAKYWVZBQSDNL-NRFANRHFSA-N 2 2 385.556 3.659 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000594053418 857856358 /nfs/dbraw/zinc/85/63/58/857856358.db2.gz KUNATGOMXBRIDN-INIZCTEOSA-N 2 2 396.318 3.683 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000594053418 857856365 /nfs/dbraw/zinc/85/63/65/857856365.db2.gz KUNATGOMXBRIDN-INIZCTEOSA-N 2 2 396.318 3.683 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc2ccccc2c1 ZINC000676478302 857898814 /nfs/dbraw/zinc/89/88/14/857898814.db2.gz SCJIKXJFITXLJV-NPPFBWRTSA-N 2 2 376.504 3.939 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc2ccccc2c1 ZINC000676478302 857898823 /nfs/dbraw/zinc/89/88/23/857898823.db2.gz SCJIKXJFITXLJV-NPPFBWRTSA-N 2 2 376.504 3.939 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000676478295 857899010 /nfs/dbraw/zinc/89/90/10/857899010.db2.gz NCYPZYUMPHSXDM-DZGCQCFKSA-N 2 2 381.307 3.704 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000676478295 857899012 /nfs/dbraw/zinc/89/90/12/857899012.db2.gz NCYPZYUMPHSXDM-DZGCQCFKSA-N 2 2 381.307 3.704 20 0 GHADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1Br ZINC000676479412 857910618 /nfs/dbraw/zinc/91/06/18/857910618.db2.gz SVRJFVDHSTXTOA-GDBMZVCRSA-N 2 2 391.313 3.618 20 0 GHADLP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1Br ZINC000676479412 857910626 /nfs/dbraw/zinc/91/06/26/857910626.db2.gz SVRJFVDHSTXTOA-GDBMZVCRSA-N 2 2 391.313 3.618 20 0 GHADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543039574 858030349 /nfs/dbraw/zinc/03/03/49/858030349.db2.gz PCQUKYIISRFEMO-HXUWFJFHSA-N 2 2 389.588 3.597 20 0 GHADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543039574 858030361 /nfs/dbraw/zinc/03/03/61/858030361.db2.gz PCQUKYIISRFEMO-HXUWFJFHSA-N 2 2 389.588 3.597 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000521535049 858084123 /nfs/dbraw/zinc/08/41/23/858084123.db2.gz FHCCDGFYIOXLDW-LPHOPBHVSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000521535049 858084126 /nfs/dbraw/zinc/08/41/26/858084126.db2.gz FHCCDGFYIOXLDW-LPHOPBHVSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1OCC(F)F ZINC000442871396 858188844 /nfs/dbraw/zinc/18/88/44/858188844.db2.gz WQFDUYBCNHGRRA-LPHOPBHVSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1OCC(F)F ZINC000442871396 858188846 /nfs/dbraw/zinc/18/88/46/858188846.db2.gz WQFDUYBCNHGRRA-LPHOPBHVSA-N 2 2 375.463 3.726 20 0 GHADLP CC[C@@H](C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[NH+](CC)CC ZINC000605425066 863022541 /nfs/dbraw/zinc/02/25/41/863022541.db2.gz RFEGQAYKTGQSJX-ZWKOTPCHSA-N 2 2 383.939 3.853 20 0 GHADLP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000067331912 858528976 /nfs/dbraw/zinc/52/89/76/858528976.db2.gz OMSFVTIDMKNSHQ-QFIPXVFZSA-N 2 2 380.536 3.706 20 0 GHADLP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000067331912 858528983 /nfs/dbraw/zinc/52/89/83/858528983.db2.gz OMSFVTIDMKNSHQ-QFIPXVFZSA-N 2 2 380.536 3.706 20 0 GHADLP COc1ccccc1-n1nccc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000280848108 858732032 /nfs/dbraw/zinc/73/20/32/858732032.db2.gz CJFGSCFEATWACT-GOSISDBHSA-N 2 2 391.519 3.591 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000522190084 858790356 /nfs/dbraw/zinc/79/03/56/858790356.db2.gz HCVGJCXPCFPDJV-IAGOWNOFSA-N 2 2 398.378 3.581 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000522190084 858790364 /nfs/dbraw/zinc/79/03/64/858790364.db2.gz HCVGJCXPCFPDJV-IAGOWNOFSA-N 2 2 398.378 3.581 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCC1)c1ccccc1 ZINC000522230066 858856755 /nfs/dbraw/zinc/85/67/55/858856755.db2.gz XVUWUHOGQIWWTA-UYAOXDASSA-N 2 2 395.551 3.962 20 0 GHADLP COC(=O)c1cnoc1C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596590863 858954834 /nfs/dbraw/zinc/95/48/34/858954834.db2.gz HIYVIXPBNKPVJK-NRFANRHFSA-N 2 2 397.519 3.584 20 0 GHADLP COC(=O)c1cnoc1C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596590863 858954852 /nfs/dbraw/zinc/95/48/52/858954852.db2.gz HIYVIXPBNKPVJK-NRFANRHFSA-N 2 2 397.519 3.584 20 0 GHADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C12CCOCC2 ZINC000923033864 858969800 /nfs/dbraw/zinc/96/98/00/858969800.db2.gz LRZRXAGHYDTIQO-ZWKOTPCHSA-N 2 2 375.538 3.776 20 0 GHADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000443598609 859029086 /nfs/dbraw/zinc/02/90/86/859029086.db2.gz AKNULNQCBVLJQR-IBGZPJMESA-N 2 2 399.539 3.594 20 0 GHADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000443598609 859029089 /nfs/dbraw/zinc/02/90/89/859029089.db2.gz AKNULNQCBVLJQR-IBGZPJMESA-N 2 2 399.539 3.594 20 0 GHADLP C[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000532193297 881377174 /nfs/dbraw/zinc/37/71/74/881377174.db2.gz DVOLFANTSOZTLE-DLBZAZTESA-N 2 2 377.960 3.797 20 0 GHADLP C[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[N@H+]1CCCC[C@@H]1C ZINC000532193297 881377186 /nfs/dbraw/zinc/37/71/86/881377186.db2.gz DVOLFANTSOZTLE-DLBZAZTESA-N 2 2 377.960 3.797 20 0 GHADLP CCc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000189016099 881394737 /nfs/dbraw/zinc/39/47/37/881394737.db2.gz OHBJTCVSCQVVKS-PKTZIBPZSA-N 2 2 385.596 3.587 20 0 GHADLP CCc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000189016099 881394758 /nfs/dbraw/zinc/39/47/58/881394758.db2.gz OHBJTCVSCQVVKS-PKTZIBPZSA-N 2 2 385.596 3.587 20 0 GHADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483249557 859240472 /nfs/dbraw/zinc/24/04/72/859240472.db2.gz JJBQUPFJVWEYMI-DOMZBBRYSA-N 2 2 395.263 3.575 20 0 GHADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483249557 859240485 /nfs/dbraw/zinc/24/04/85/859240485.db2.gz JJBQUPFJVWEYMI-DOMZBBRYSA-N 2 2 395.263 3.575 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000483333217 859290452 /nfs/dbraw/zinc/29/04/52/859290452.db2.gz CWIOTVJFMZWPPL-MRXNPFEDSA-N 2 2 396.441 3.634 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000483333217 859290465 /nfs/dbraw/zinc/29/04/65/859290465.db2.gz CWIOTVJFMZWPPL-MRXNPFEDSA-N 2 2 396.441 3.634 20 0 GHADLP CC(C)C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccs1 ZINC000051761236 859313577 /nfs/dbraw/zinc/31/35/77/859313577.db2.gz NGSDGYOVLPRRSJ-LJQANCHMSA-N 2 2 392.613 3.693 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000597215793 859352153 /nfs/dbraw/zinc/35/21/53/859352153.db2.gz AKCXFNIKEXWYKV-NRFANRHFSA-N 2 2 395.551 3.716 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000597215793 859352160 /nfs/dbraw/zinc/35/21/60/859352160.db2.gz AKCXFNIKEXWYKV-NRFANRHFSA-N 2 2 395.551 3.716 20 0 GHADLP COc1cc(C)cc(OC)c1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001143143897 859541401 /nfs/dbraw/zinc/54/14/01/859541401.db2.gz BXHCMUYQZDDOGS-LEWJYISDSA-N 2 2 380.532 3.966 20 0 GHADLP COc1cc(C)cc(OC)c1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001143143897 859541404 /nfs/dbraw/zinc/54/14/04/859541404.db2.gz BXHCMUYQZDDOGS-LEWJYISDSA-N 2 2 380.532 3.966 20 0 GHADLP COc1cc(C)cc(OC)c1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001143143897 859541407 /nfs/dbraw/zinc/54/14/07/859541407.db2.gz BXHCMUYQZDDOGS-LEWJYISDSA-N 2 2 380.532 3.966 20 0 GHADLP COc1cc(C)cc(OC)c1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001143143897 859541412 /nfs/dbraw/zinc/54/14/12/859541412.db2.gz BXHCMUYQZDDOGS-LEWJYISDSA-N 2 2 380.532 3.966 20 0 GHADLP C[C@H](C[C@@H]1CCOC1)[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000764885433 859660636 /nfs/dbraw/zinc/66/06/36/859660636.db2.gz XKQIYYKHNCYCRR-MSOLQXFVSA-N 2 2 399.501 3.622 20 0 GHADLP COc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1SC ZINC000484126747 859817510 /nfs/dbraw/zinc/81/75/10/859817510.db2.gz JEQAXZWAYRHQIR-VGSWGCGISA-N 2 2 386.561 3.705 20 0 GHADLP COc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1SC ZINC000484126747 859817519 /nfs/dbraw/zinc/81/75/19/859817519.db2.gz JEQAXZWAYRHQIR-VGSWGCGISA-N 2 2 386.561 3.705 20 0 GHADLP C[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1)c1ccc(-n2cnnn2)cc1 ZINC000484126934 859817812 /nfs/dbraw/zinc/81/78/12/859817812.db2.gz FLBMCOCBISCOCC-RTBURBONSA-N 2 2 390.535 3.977 20 0 GHADLP O[C@@]1(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484166239 859857802 /nfs/dbraw/zinc/85/78/02/859857802.db2.gz UQHNOXXWJKWHNN-RBBKRZOGSA-N 2 2 386.923 3.780 20 0 GHADLP O[C@@]1(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484166239 859857814 /nfs/dbraw/zinc/85/78/14/859857814.db2.gz UQHNOXXWJKWHNN-RBBKRZOGSA-N 2 2 386.923 3.780 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765252057 859865656 /nfs/dbraw/zinc/86/56/56/859865656.db2.gz PWCVAYNDIYVSHC-LPHOPBHVSA-N 2 2 390.959 3.978 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000484178711 859866781 /nfs/dbraw/zinc/86/67/81/859866781.db2.gz XGVRBSVPCGJFCK-OXJNMPFZSA-N 2 2 389.337 3.737 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000484178711 859866789 /nfs/dbraw/zinc/86/67/89/859866789.db2.gz XGVRBSVPCGJFCK-OXJNMPFZSA-N 2 2 389.337 3.737 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765358412 859926845 /nfs/dbraw/zinc/92/68/45/859926845.db2.gz OSGZKBPCWRNFGM-AWEZNQCLSA-N 2 2 391.443 3.719 20 0 GHADLP COc1ccc(OC)c(CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000765397923 859949192 /nfs/dbraw/zinc/94/91/92/859949192.db2.gz XIJWERNMDWKYQQ-UHFFFAOYSA-N 2 2 383.536 3.571 20 0 GHADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCCCNc1cccc[nH+]1)[NH+](C)C ZINC000508915264 859987739 /nfs/dbraw/zinc/98/77/39/859987739.db2.gz FKDCSAIDOAWOQJ-GHTZIAJQSA-N 2 2 383.540 3.573 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OC3CCC3)n2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168036164 860231552 /nfs/dbraw/zinc/23/15/52/860231552.db2.gz UGHHIRJQOCWKLP-RMFSNUHRSA-N 2 2 380.536 3.939 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OC3CCC3)n2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036164 860231559 /nfs/dbraw/zinc/23/15/59/860231559.db2.gz UGHHIRJQOCWKLP-RMFSNUHRSA-N 2 2 380.536 3.939 20 0 GHADLP Clc1cccc2c1C[C@H]([NH+]1CCC3(CC1)C[N@H+](Cc1ccoc1)CCO3)C2 ZINC001168729200 860268139 /nfs/dbraw/zinc/26/81/39/860268139.db2.gz WXYILQUALQQDBI-LJQANCHMSA-N 2 2 386.923 3.767 20 0 GHADLP Clc1cccc2c1C[C@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccoc1)CCO3)C2 ZINC001168729200 860268147 /nfs/dbraw/zinc/26/81/47/860268147.db2.gz WXYILQUALQQDBI-LJQANCHMSA-N 2 2 386.923 3.767 20 0 GHADLP COC(=O)c1ccc([C@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168036868 860332371 /nfs/dbraw/zinc/33/23/71/860332371.db2.gz XLNGNBYUYVZJSW-WKZKVMAPSA-N 2 2 396.531 3.538 20 0 GHADLP COC(=O)c1ccc([C@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168036868 860332384 /nfs/dbraw/zinc/33/23/84/860332384.db2.gz XLNGNBYUYVZJSW-WKZKVMAPSA-N 2 2 396.531 3.538 20 0 GHADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000191832251 860359628 /nfs/dbraw/zinc/35/96/28/860359628.db2.gz PJUJOFDKPFPHHS-HYBUGGRVSA-N 2 2 398.547 3.654 20 0 GHADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000191832251 860359639 /nfs/dbraw/zinc/35/96/39/860359639.db2.gz PJUJOFDKPFPHHS-HYBUGGRVSA-N 2 2 398.547 3.654 20 0 GHADLP CC[C@H]1CCc2c(sc(=O)n2C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000728046140 860367743 /nfs/dbraw/zinc/36/77/43/860367743.db2.gz GRNPRCJPAVATBC-KRWDZBQOSA-N 2 2 387.593 3.966 20 0 GHADLP CC[C@H]1CCc2c(sc(=O)n2C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000728046140 860367746 /nfs/dbraw/zinc/36/77/46/860367746.db2.gz GRNPRCJPAVATBC-KRWDZBQOSA-N 2 2 387.593 3.966 20 0 GHADLP CC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1nnc2n1CCCCC2 ZINC000765644111 860375227 /nfs/dbraw/zinc/37/52/27/860375227.db2.gz PVWMBIFGOGQDRL-OAQYLSRUSA-N 2 2 396.583 3.780 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000766189848 860454169 /nfs/dbraw/zinc/45/41/69/860454169.db2.gz HXSAUXUEFQYWQS-IEBWSBKVSA-N 2 2 388.556 3.724 20 0 GHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000474609383 860491392 /nfs/dbraw/zinc/49/13/92/860491392.db2.gz XPVYGGSMDQHFJT-WOJBJXKFSA-N 2 2 398.547 3.688 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896193747 860513555 /nfs/dbraw/zinc/51/35/55/860513555.db2.gz GONMXZMCEUDVCC-HNNXBMFYSA-N 2 2 384.471 3.506 20 0 GHADLP Cc1ccc(-c2csc(C[N@@H+]3CCN(C4CC[NH+](C)CC4)[C@@H](C)C3)n2)cc1 ZINC000509008816 860522937 /nfs/dbraw/zinc/52/29/37/860522937.db2.gz RJCUWGPMODVEIF-SFHVURJKSA-N 2 2 384.593 3.719 20 0 GHADLP Cc1ccc(-c2csc(C[N@H+]3CCN(C4CC[NH+](C)CC4)[C@@H](C)C3)n2)cc1 ZINC000509008816 860522940 /nfs/dbraw/zinc/52/29/40/860522940.db2.gz RJCUWGPMODVEIF-SFHVURJKSA-N 2 2 384.593 3.719 20 0 GHADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3csc(C(F)(F)F)c3)cc2)CC1 ZINC000623363910 860934770 /nfs/dbraw/zinc/93/47/70/860934770.db2.gz KZZCRDLSBPIZQK-UHFFFAOYSA-N 2 2 383.483 3.804 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C(=O)N1c1ccccc1 ZINC000499228361 881657094 /nfs/dbraw/zinc/65/70/94/881657094.db2.gz LLYRXRWSYYROBC-IIBULMQPSA-N 2 2 389.543 3.966 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C(=O)N1c1ccccc1 ZINC000499228361 881657099 /nfs/dbraw/zinc/65/70/99/881657099.db2.gz LLYRXRWSYYROBC-IIBULMQPSA-N 2 2 389.543 3.966 20 0 GHADLP COCCC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000281898857 863458777 /nfs/dbraw/zinc/45/87/77/863458777.db2.gz HQAVWNGTACXZAF-HSZRJFAPSA-N 2 2 386.511 3.915 20 0 GHADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000183279792 863527640 /nfs/dbraw/zinc/52/76/40/863527640.db2.gz YBNOZLCBBKLGRA-SFHVURJKSA-N 2 2 382.504 3.554 20 0 GHADLP CCCOc1c(Br)cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000494410471 881686922 /nfs/dbraw/zinc/68/69/22/881686922.db2.gz KCSVCXKOHOHEGE-CQSZACIVSA-N 2 2 394.313 3.548 20 0 GHADLP C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000606580860 863730384 /nfs/dbraw/zinc/73/03/84/863730384.db2.gz HNRQIFPOOWVMRQ-FXAWDEMLSA-N 2 2 377.492 3.851 20 0 GHADLP C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC000606580860 863730389 /nfs/dbraw/zinc/73/03/89/863730389.db2.gz HNRQIFPOOWVMRQ-FXAWDEMLSA-N 2 2 377.492 3.851 20 0 GHADLP NC(=O)[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000103500362 864040644 /nfs/dbraw/zinc/04/06/44/864040644.db2.gz VZLMAIOIQMLCNP-DEOSSOPVSA-N 2 2 396.494 3.915 20 0 GHADLP CC(C)(C)CC[NH+]1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000159190141 864060139 /nfs/dbraw/zinc/06/01/39/864060139.db2.gz BXLGAPDYHSWNMD-UHFFFAOYSA-N 2 2 399.539 3.548 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000475120417 864221185 /nfs/dbraw/zinc/22/11/85/864221185.db2.gz PEMZMYBAPQSUGR-UHFFFAOYSA-N 2 2 398.457 3.900 20 0 GHADLP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1c(F)cccc1Cl ZINC000475147379 864297803 /nfs/dbraw/zinc/29/78/03/864297803.db2.gz DAADGFALLXKMSD-RDTXWAMCSA-N 2 2 377.891 3.549 20 0 GHADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CCC2 ZINC000192672498 864451237 /nfs/dbraw/zinc/45/12/37/864451237.db2.gz LMKHXEXNAMFOFA-QGZVFWFLSA-N 2 2 383.492 3.796 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000734850261 864480706 /nfs/dbraw/zinc/48/07/06/864480706.db2.gz WUEQZLURPSWASY-AUUYWEPGSA-N 2 2 392.316 3.983 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000734850261 864480711 /nfs/dbraw/zinc/48/07/11/864480711.db2.gz WUEQZLURPSWASY-AUUYWEPGSA-N 2 2 392.316 3.983 20 0 GHADLP COc1cc(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cc(OC)c1OC ZINC000494481491 881778963 /nfs/dbraw/zinc/77/89/63/881778963.db2.gz ALXAMJYARBVAEU-QHCPKHFHSA-N 2 2 384.520 3.857 20 0 GHADLP COc1cc(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)cc(OC)c1OC ZINC000494481491 881778975 /nfs/dbraw/zinc/77/89/75/881778975.db2.gz ALXAMJYARBVAEU-QHCPKHFHSA-N 2 2 384.520 3.857 20 0 GHADLP CS(=O)(=O)c1ccc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc2)cc1 ZINC001168363004 864691991 /nfs/dbraw/zinc/69/19/91/864691991.db2.gz PDOQGRAWDNENFD-HSZRJFAPSA-N 2 2 398.572 3.644 20 0 GHADLP CC[NH+](CC)CC1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000480504895 864751479 /nfs/dbraw/zinc/75/14/79/864751479.db2.gz XWDJAADOERHKJT-UHFFFAOYSA-N 2 2 379.346 3.879 20 0 GHADLP COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(OCC[NH+](C)C)cc3)n2)c1 ZINC000608072472 864963604 /nfs/dbraw/zinc/96/36/04/864963604.db2.gz PMDLURKDMARHSE-MRXNPFEDSA-N 2 2 396.491 3.536 20 0 GHADLP CC(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000554841617 865031044 /nfs/dbraw/zinc/03/10/44/865031044.db2.gz KERPFWSCGKQMSH-JOCHJYFZSA-N 2 2 393.531 3.718 20 0 GHADLP CC(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000554841617 865031054 /nfs/dbraw/zinc/03/10/54/865031054.db2.gz KERPFWSCGKQMSH-JOCHJYFZSA-N 2 2 393.531 3.718 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000608246909 865150451 /nfs/dbraw/zinc/15/04/51/865150451.db2.gz NJPZPYVLVOIMFR-UHFFFAOYSA-N 2 2 398.551 3.895 20 0 GHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1I ZINC000480765862 865223123 /nfs/dbraw/zinc/22/31/23/865223123.db2.gz DAWWMMDJAFKWRM-ZDUSSCGKSA-N 2 2 395.288 3.717 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608407883 865290402 /nfs/dbraw/zinc/29/04/02/865290402.db2.gz FSVVOBCEDOWACD-PZJWPPBQSA-N 2 2 397.567 3.658 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608407883 865290412 /nfs/dbraw/zinc/29/04/12/865290412.db2.gz FSVVOBCEDOWACD-PZJWPPBQSA-N 2 2 397.567 3.658 20 0 GHADLP Cc1cc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c2ccccc2[nH+]1 ZINC000301358680 865310639 /nfs/dbraw/zinc/31/06/39/865310639.db2.gz LHBZDDPCBBSTSE-UHFFFAOYSA-N 2 2 377.488 3.866 20 0 GHADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2cccc(F)c2OC(F)F)c2ccccc2)CC1 ZINC000667756157 865359226 /nfs/dbraw/zinc/35/92/26/865359226.db2.gz NHWQIFZYLRZDBU-IBGZPJMESA-N 2 2 393.453 3.505 20 0 GHADLP O=C1c2cccc3c2c(nn3C[NH+]2CCC(n3cc[nH+]c3)CC2)-c2ccccc21 ZINC000738111760 865494441 /nfs/dbraw/zinc/49/44/41/865494441.db2.gz PXRNWMHAOOFHCZ-UHFFFAOYSA-N 2 2 383.455 3.739 20 0 GHADLP Cc1nc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c2c([nH+]1)CCCC2 ZINC000302030043 865676100 /nfs/dbraw/zinc/67/61/00/865676100.db2.gz BNBKVEGBEHOBNE-QGZVFWFLSA-N 2 2 380.536 3.976 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3nc(C(F)F)nc4ccc(Cl)cc43)C2)CC1 ZINC000665700908 865760201 /nfs/dbraw/zinc/76/02/01/865760201.db2.gz OAYYLLCWKQWZPN-ZDUSSCGKSA-N 2 2 395.885 3.801 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3nc(C(F)F)nc4ccc(Cl)cc43)C2)CC1 ZINC000665700908 865760204 /nfs/dbraw/zinc/76/02/04/865760204.db2.gz OAYYLLCWKQWZPN-ZDUSSCGKSA-N 2 2 395.885 3.801 20 0 GHADLP CC[NH+]1CCN(C[C@H](C)CNc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000302616607 865860348 /nfs/dbraw/zinc/86/03/48/865860348.db2.gz CPCCXUOAQXPUMQ-OAHLLOKOSA-N 2 2 391.357 3.683 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCCc2ccccc21 ZINC000481177390 865930547 /nfs/dbraw/zinc/93/05/47/865930547.db2.gz ZLUAPCFANBLQRM-ZRCGQRJVSA-N 2 2 391.559 3.855 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCCc2ccccc21 ZINC000481177390 865930549 /nfs/dbraw/zinc/93/05/49/865930549.db2.gz ZLUAPCFANBLQRM-ZRCGQRJVSA-N 2 2 391.559 3.855 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000302899365 865981811 /nfs/dbraw/zinc/98/18/11/865981811.db2.gz QDSGYXPPJCVQJP-GOSISDBHSA-N 2 2 389.613 3.511 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000302899365 865981813 /nfs/dbraw/zinc/98/18/13/865981813.db2.gz QDSGYXPPJCVQJP-GOSISDBHSA-N 2 2 389.613 3.511 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000302899365 865981818 /nfs/dbraw/zinc/98/18/18/865981818.db2.gz QDSGYXPPJCVQJP-GOSISDBHSA-N 2 2 389.613 3.511 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000302899365 865981822 /nfs/dbraw/zinc/98/18/22/865981822.db2.gz QDSGYXPPJCVQJP-GOSISDBHSA-N 2 2 389.613 3.511 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cccc(CC[N@H+](C)C3CC3)c1)C2 ZINC000476558335 881956114 /nfs/dbraw/zinc/95/61/14/881956114.db2.gz GSLZTMMDULDHJF-KRWDZBQOSA-N 2 2 380.536 3.913 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cccc(CC[N@@H+](C)C3CC3)c1)C2 ZINC000476558335 881956130 /nfs/dbraw/zinc/95/61/30/881956130.db2.gz GSLZTMMDULDHJF-KRWDZBQOSA-N 2 2 380.536 3.913 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccc(CC[N@H+](C)C3CC3)c1)CC2 ZINC000476558335 881956151 /nfs/dbraw/zinc/95/61/51/881956151.db2.gz GSLZTMMDULDHJF-KRWDZBQOSA-N 2 2 380.536 3.913 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccc(CC[N@@H+](C)C3CC3)c1)CC2 ZINC000476558335 881956169 /nfs/dbraw/zinc/95/61/69/881956169.db2.gz GSLZTMMDULDHJF-KRWDZBQOSA-N 2 2 380.536 3.913 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)COc1cccc2ccccc21 ZINC000552838563 866330274 /nfs/dbraw/zinc/33/02/74/866330274.db2.gz YGYHVVVVMJHHIU-IBGZPJMESA-N 2 2 391.446 3.694 20 0 GHADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(Br)c1 ZINC000639758202 866392745 /nfs/dbraw/zinc/39/27/45/866392745.db2.gz QFHZZWBZAJEBNC-OAHLLOKOSA-N 2 2 394.357 3.502 20 0 GHADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(Br)c1 ZINC000639758202 866392754 /nfs/dbraw/zinc/39/27/54/866392754.db2.gz QFHZZWBZAJEBNC-OAHLLOKOSA-N 2 2 394.357 3.502 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([NH3+])(c2ccccc2OC)CC1 ZINC001170427094 881990841 /nfs/dbraw/zinc/99/08/41/881990841.db2.gz VGTIYRLAKQRTKL-GOSISDBHSA-N 2 2 382.504 3.695 20 0 GHADLP C[C@@H]1CCC[C@H](CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000534359824 866645543 /nfs/dbraw/zinc/64/55/43/866645543.db2.gz JCOVLBQIQLNZHZ-NPDDRXJXSA-N 2 2 377.617 3.998 20 0 GHADLP C[C@@H]1CCC[C@H](CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000534359824 866645549 /nfs/dbraw/zinc/64/55/49/866645549.db2.gz JCOVLBQIQLNZHZ-NPDDRXJXSA-N 2 2 377.617 3.998 20 0 GHADLP C[C@@H]1CCC[C@H](CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000534359826 866645835 /nfs/dbraw/zinc/64/58/35/866645835.db2.gz JCOVLBQIQLNZHZ-WAGURGNTSA-N 2 2 377.617 3.998 20 0 GHADLP C[C@@H]1CCC[C@H](CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000534359826 866645842 /nfs/dbraw/zinc/64/58/42/866645842.db2.gz JCOVLBQIQLNZHZ-WAGURGNTSA-N 2 2 377.617 3.998 20 0 GHADLP CCCC1(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000534385539 866659256 /nfs/dbraw/zinc/65/92/56/866659256.db2.gz WJVJUUSADNNLIT-LEWJYISDSA-N 2 2 392.632 3.935 20 0 GHADLP CCCC1(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000534385539 866659262 /nfs/dbraw/zinc/65/92/62/866659262.db2.gz WJVJUUSADNNLIT-LEWJYISDSA-N 2 2 392.632 3.935 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)([NH+]2CCCCC2)CC1 ZINC000534419986 866765297 /nfs/dbraw/zinc/76/52/97/866765297.db2.gz AEOFGHUWSZLVES-PCCBWWKXSA-N 2 2 375.601 3.659 20 0 GHADLP O=C(N[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1)c1ccc2ccccc2c1 ZINC000444569011 866895834 /nfs/dbraw/zinc/89/58/34/866895834.db2.gz KMLRUUORXXJQGV-HSZRJFAPSA-N 2 2 379.548 3.910 20 0 GHADLP O=C(N[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)c1ccc2ccccc2c1 ZINC000444569011 866895845 /nfs/dbraw/zinc/89/58/45/866895845.db2.gz KMLRUUORXXJQGV-HSZRJFAPSA-N 2 2 379.548 3.910 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900963 882038173 /nfs/dbraw/zinc/03/81/73/882038173.db2.gz OLOZFGVSMMDWHI-HNAYVOBHSA-N 2 2 380.879 3.982 20 0 GHADLP C/C(=C\C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000742075005 867034628 /nfs/dbraw/zinc/03/46/28/867034628.db2.gz PWOGNHCNOZVCDQ-FOCLMDBBSA-N 2 2 397.485 3.593 20 0 GHADLP C/C(=C\C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000742075005 867034640 /nfs/dbraw/zinc/03/46/40/867034640.db2.gz PWOGNHCNOZVCDQ-FOCLMDBBSA-N 2 2 397.485 3.593 20 0 GHADLP CC[N@H+](C)[C@@H](C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccccc1 ZINC000742113138 867055902 /nfs/dbraw/zinc/05/59/02/867055902.db2.gz DULKXIJTKVCGDJ-HSZRJFAPSA-N 2 2 394.563 3.531 20 0 GHADLP CC[N@@H+](C)[C@@H](C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccccc1 ZINC000742113138 867055919 /nfs/dbraw/zinc/05/59/19/867055919.db2.gz DULKXIJTKVCGDJ-HSZRJFAPSA-N 2 2 394.563 3.531 20 0 GHADLP CN(C(=O)NCC12CCC(CC1)C2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534579436 867084166 /nfs/dbraw/zinc/08/41/66/867084166.db2.gz PKVDQLAUHVQBOA-BLDKCIGBSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)NCC12CCC(CC1)C2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534579436 867084179 /nfs/dbraw/zinc/08/41/79/867084179.db2.gz PKVDQLAUHVQBOA-BLDKCIGBSA-N 2 2 390.616 3.545 20 0 GHADLP O=C(NCC[NH+]1CCCCCC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534598699 867110195 /nfs/dbraw/zinc/11/01/95/867110195.db2.gz BCGBFCBMAOPDOM-UHFFFAOYSA-N 2 2 379.508 3.599 20 0 GHADLP Cc1ccc(F)c(C[N@@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000444736799 867122122 /nfs/dbraw/zinc/12/21/22/867122122.db2.gz QVMRBZNXCXIEJM-LJQANCHMSA-N 2 2 397.538 3.735 20 0 GHADLP Cc1ccc(F)c(C[N@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000444736799 867122130 /nfs/dbraw/zinc/12/21/30/867122130.db2.gz QVMRBZNXCXIEJM-LJQANCHMSA-N 2 2 397.538 3.735 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000620754070 867263879 /nfs/dbraw/zinc/26/38/79/867263879.db2.gz TURNAXFMMGNBRV-ZWKOTPCHSA-N 2 2 397.357 3.581 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000620754070 867263893 /nfs/dbraw/zinc/26/38/93/867263893.db2.gz TURNAXFMMGNBRV-ZWKOTPCHSA-N 2 2 397.357 3.581 20 0 GHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCc4ccc(Cl)cc43)cc2)CC1 ZINC000479172118 867277851 /nfs/dbraw/zinc/27/78/51/867277851.db2.gz SAWOYWSFDTZBOR-NRFANRHFSA-N 2 2 383.923 3.505 20 0 GHADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(-c2ccccc2Br)s1 ZINC000154342253 867362339 /nfs/dbraw/zinc/36/23/39/867362339.db2.gz PMCGLQJSHOLHQW-OLZOCXBDSA-N 2 2 383.355 3.751 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000553504416 867548296 /nfs/dbraw/zinc/54/82/96/867548296.db2.gz LQIOUSTWGRBPGS-XUZZJYLKSA-N 2 2 391.559 3.774 20 0 GHADLP CC[N@H+](CCCC1CC[NH+]([C@H](C)c2nnc(C)o2)CC1)[C@@H](C)c1nnc(C)o1 ZINC000154730754 867581964 /nfs/dbraw/zinc/58/19/64/867581964.db2.gz GSJUCCAXWTVWGC-LSDHHAIUSA-N 2 2 390.532 3.706 20 0 GHADLP CC[N@@H+](CCCC1CC[NH+]([C@H](C)c2nnc(C)o2)CC1)[C@@H](C)c1nnc(C)o1 ZINC000154730754 867581971 /nfs/dbraw/zinc/58/19/71/867581971.db2.gz GSJUCCAXWTVWGC-LSDHHAIUSA-N 2 2 390.532 3.706 20 0 GHADLP C[NH+]1CCC(Oc2ccc(CNc3cc(N4CCCCC4)nc[nH+]3)cc2)CC1 ZINC000553591715 867742439 /nfs/dbraw/zinc/74/24/39/867742439.db2.gz PDDGLEYNAXDWNX-UHFFFAOYSA-N 2 2 381.524 3.552 20 0 GHADLP C[NH+]1CCC(Oc2ccc(CNc3cc(N4CCCCC4)[nH+]cn3)cc2)CC1 ZINC000553591715 867742446 /nfs/dbraw/zinc/74/24/46/867742446.db2.gz PDDGLEYNAXDWNX-UHFFFAOYSA-N 2 2 381.524 3.552 20 0 GHADLP CC(C)(C)OC(=O)N1CC=C(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000793332061 882108795 /nfs/dbraw/zinc/10/87/95/882108795.db2.gz ZNLLSFFVGSXWFT-UHFFFAOYSA-N 2 2 382.508 3.919 20 0 GHADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155156677 867776458 /nfs/dbraw/zinc/77/64/58/867776458.db2.gz GLXLPQCXYSXEDX-QHCPKHFHSA-N 2 2 396.531 3.710 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc2c1ccn2C(F)F ZINC000667514134 868045571 /nfs/dbraw/zinc/04/55/71/868045571.db2.gz XPYHIYDPGVQMNJ-UHFFFAOYSA-N 2 2 393.482 3.526 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc2c1ccn2C(F)F ZINC000667514134 868045587 /nfs/dbraw/zinc/04/55/87/868045587.db2.gz XPYHIYDPGVQMNJ-UHFFFAOYSA-N 2 2 393.482 3.526 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245730849 868247350 /nfs/dbraw/zinc/24/73/50/868247350.db2.gz VYLFKLIBGNNNCI-XUWXXGDYSA-N 2 2 390.915 3.764 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245730849 868247361 /nfs/dbraw/zinc/24/73/61/868247361.db2.gz VYLFKLIBGNNNCI-XUWXXGDYSA-N 2 2 390.915 3.764 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCCNc2ccc(C)c[nH+]2)cc1 ZINC000121611490 882181808 /nfs/dbraw/zinc/18/18/08/882181808.db2.gz HBWCQRRFLATQGS-QGZVFWFLSA-N 2 2 392.507 3.747 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001170432479 882206440 /nfs/dbraw/zinc/20/64/40/882206440.db2.gz SMYBZONENBUNQU-PQNGQFLHSA-N 2 2 396.531 3.616 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001170432479 882206450 /nfs/dbraw/zinc/20/64/50/882206450.db2.gz SMYBZONENBUNQU-PQNGQFLHSA-N 2 2 396.531 3.616 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157282721 868611614 /nfs/dbraw/zinc/61/16/14/868611614.db2.gz CVERIDRBACYMFL-IRXDYDNUSA-N 2 2 395.950 3.776 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157282721 868611625 /nfs/dbraw/zinc/61/16/25/868611625.db2.gz CVERIDRBACYMFL-IRXDYDNUSA-N 2 2 395.950 3.776 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000479886396 868683710 /nfs/dbraw/zinc/68/37/10/868683710.db2.gz GXFOXAIKSLIBDB-SQJMNOBHSA-N 2 2 393.575 3.519 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cccc(CO)c1 ZINC000535513480 868874746 /nfs/dbraw/zinc/87/47/46/868874746.db2.gz ICXDYCDJBHHPKW-GOSISDBHSA-N 2 2 387.955 3.695 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1C ZINC000065388405 868912771 /nfs/dbraw/zinc/91/27/71/868912771.db2.gz CLVKEVIJEWWZHB-UHFFFAOYSA-N 2 2 388.556 3.695 20 0 GHADLP C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535576191 869029077 /nfs/dbraw/zinc/02/90/77/869029077.db2.gz QHTDDUXPSVVUGL-ROUUACIJSA-N 2 2 378.520 3.714 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(Br)o2)C[C@H](C)O1 ZINC000190834163 882282679 /nfs/dbraw/zinc/28/26/79/882282679.db2.gz OJYMGBGOQYVVGZ-GJZGRUSLSA-N 2 2 393.325 3.941 20 0 GHADLP CC(C)O[C@@H](C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000428432681 869462054 /nfs/dbraw/zinc/46/20/54/869462054.db2.gz FAHABRMUGPLQTA-ZEQRLZLVSA-N 2 2 382.548 3.722 20 0 GHADLP CC(C)O[C@@H](C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000428432681 869462060 /nfs/dbraw/zinc/46/20/60/869462060.db2.gz FAHABRMUGPLQTA-ZEQRLZLVSA-N 2 2 382.548 3.722 20 0 GHADLP CC(C)O[C@@H](C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000428432681 869462065 /nfs/dbraw/zinc/46/20/65/869462065.db2.gz FAHABRMUGPLQTA-ZEQRLZLVSA-N 2 2 382.548 3.722 20 0 GHADLP CC(C)O[C@@H](C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000428432681 869462073 /nfs/dbraw/zinc/46/20/73/869462073.db2.gz FAHABRMUGPLQTA-ZEQRLZLVSA-N 2 2 382.548 3.722 20 0 GHADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000462633139 869801859 /nfs/dbraw/zinc/80/18/59/869801859.db2.gz SFFQCVUOFXQHBW-JRGCBEDISA-N 2 2 383.540 3.531 20 0 GHADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000462633139 869801862 /nfs/dbraw/zinc/80/18/62/869801862.db2.gz SFFQCVUOFXQHBW-JRGCBEDISA-N 2 2 383.540 3.531 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000669851712 870040400 /nfs/dbraw/zinc/04/04/00/870040400.db2.gz VDQBQWHRGCERSH-DCEDVJGZSA-N 3 2 377.576 3.975 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000669851712 870040411 /nfs/dbraw/zinc/04/04/11/870040411.db2.gz VDQBQWHRGCERSH-DCEDVJGZSA-N 3 2 377.576 3.975 20 0 GHADLP CCC(=O)N1CCC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000669851726 870055929 /nfs/dbraw/zinc/05/59/29/870055929.db2.gz ZTMUSNPIXYEWRS-BJKOFHAPSA-N 2 2 391.559 3.645 20 0 GHADLP CCC(=O)N1CCC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000669851726 870055939 /nfs/dbraw/zinc/05/59/39/870055939.db2.gz ZTMUSNPIXYEWRS-BJKOFHAPSA-N 2 2 391.559 3.645 20 0 GHADLP CN(C(=O)c1ccnc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248387513 870353375 /nfs/dbraw/zinc/35/33/75/870353375.db2.gz PHHKHMQPHJGOSD-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccnc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248387513 870353401 /nfs/dbraw/zinc/35/34/01/870353401.db2.gz PHHKHMQPHJGOSD-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248416895 870395121 /nfs/dbraw/zinc/39/51/21/870395121.db2.gz QHXZHBINMBWXEJ-BQJUDKOJSA-N 2 2 379.552 3.737 20 0 GHADLP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248416895 870395177 /nfs/dbraw/zinc/39/51/77/870395177.db2.gz QHXZHBINMBWXEJ-BQJUDKOJSA-N 2 2 379.552 3.737 20 0 GHADLP CN(C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000248684711 870591554 /nfs/dbraw/zinc/59/15/54/870591554.db2.gz FZEGYHULGXMQDX-LEWJYISDSA-N 2 2 390.547 3.651 20 0 GHADLP CN(C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000248684711 870591556 /nfs/dbraw/zinc/59/15/56/870591556.db2.gz FZEGYHULGXMQDX-LEWJYISDSA-N 2 2 390.547 3.651 20 0 GHADLP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191348752 882433402 /nfs/dbraw/zinc/43/34/02/882433402.db2.gz PPUHWFLODUTBIZ-MRXNPFEDSA-N 2 2 399.373 3.515 20 0 GHADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191348752 882433405 /nfs/dbraw/zinc/43/34/05/882433405.db2.gz PPUHWFLODUTBIZ-MRXNPFEDSA-N 2 2 399.373 3.515 20 0 GHADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191348752 882433410 /nfs/dbraw/zinc/43/34/10/882433410.db2.gz PPUHWFLODUTBIZ-MRXNPFEDSA-N 2 2 399.373 3.515 20 0 GHADLP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191348752 882433413 /nfs/dbraw/zinc/43/34/13/882433413.db2.gz PPUHWFLODUTBIZ-MRXNPFEDSA-N 2 2 399.373 3.515 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000446975513 870795530 /nfs/dbraw/zinc/79/55/30/870795530.db2.gz BPXDBDMOKAKQPL-RDTXWAMCSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000446975513 870795538 /nfs/dbraw/zinc/79/55/38/870795538.db2.gz BPXDBDMOKAKQPL-RDTXWAMCSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540248400 870808477 /nfs/dbraw/zinc/80/84/77/870808477.db2.gz RUVDDEDUWPFRFI-FGTMMUONSA-N 2 2 393.572 3.623 20 0 GHADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540248400 870808487 /nfs/dbraw/zinc/80/84/87/870808487.db2.gz RUVDDEDUWPFRFI-FGTMMUONSA-N 2 2 393.572 3.623 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccccc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000463132962 870979761 /nfs/dbraw/zinc/97/97/61/870979761.db2.gz TVMGJMBXLYVQNZ-NWSQWKLXSA-N 2 2 377.532 3.825 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccccc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000463132962 870979773 /nfs/dbraw/zinc/97/97/73/870979773.db2.gz TVMGJMBXLYVQNZ-NWSQWKLXSA-N 2 2 377.532 3.825 20 0 GHADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000463141108 870995861 /nfs/dbraw/zinc/99/58/61/870995861.db2.gz NAAONFSRJSRXDN-PMACEKPBSA-N 3 2 375.576 3.790 20 0 GHADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCN(c2nc(C)cs2)CC1)Cc1ccccc1 ZINC000463147963 871015619 /nfs/dbraw/zinc/01/56/19/871015619.db2.gz WDCRNBIWDCBLHF-OAQYLSRUSA-N 2 2 386.609 3.963 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@@H](Cc3ccccc3)CC(C)C)C2)C1 ZINC001169072431 871163147 /nfs/dbraw/zinc/16/31/47/871163147.db2.gz ZXMOQGIOMGENLW-RPWUZVMVSA-N 2 2 388.596 3.705 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+]([C@@H](Cc3ccccc3)CC(C)C)C2)C1 ZINC001169072431 871163162 /nfs/dbraw/zinc/16/31/62/871163162.db2.gz ZXMOQGIOMGENLW-RPWUZVMVSA-N 2 2 388.596 3.705 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H](Cc3ccccc3)CC(C)C)C2)C1 ZINC001169072431 871163171 /nfs/dbraw/zinc/16/31/71/871163171.db2.gz ZXMOQGIOMGENLW-RPWUZVMVSA-N 2 2 388.596 3.705 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H](Cc3ccccc3)CC(C)C)C2)C1 ZINC001169072431 871163179 /nfs/dbraw/zinc/16/31/79/871163179.db2.gz ZXMOQGIOMGENLW-RPWUZVMVSA-N 2 2 388.596 3.705 20 0 GHADLP O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000463201654 871173762 /nfs/dbraw/zinc/17/37/62/871173762.db2.gz WLTKJUYWWYTYCW-KMDXXIMOSA-N 2 2 385.596 3.604 20 0 GHADLP O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000463201654 871173768 /nfs/dbraw/zinc/17/37/68/871173768.db2.gz WLTKJUYWWYTYCW-KMDXXIMOSA-N 2 2 385.596 3.604 20 0 GHADLP C[N@H+](Cc1cc(F)cc2cccnc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655813 882490848 /nfs/dbraw/zinc/49/08/48/882490848.db2.gz PJNLMOZJYJPULE-UHFFFAOYSA-N 2 2 378.495 3.908 20 0 GHADLP C[N@@H+](Cc1cc(F)cc2cccnc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655813 882490858 /nfs/dbraw/zinc/49/08/58/882490858.db2.gz PJNLMOZJYJPULE-UHFFFAOYSA-N 2 2 378.495 3.908 20 0 GHADLP COc1cc(OC)c(C2OCCO2)cc1[NH2+][C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169143997 871257044 /nfs/dbraw/zinc/25/70/44/871257044.db2.gz LECRPDLIAMPCSQ-SPLOXXLWSA-N 2 2 378.513 3.705 20 0 GHADLP CCC(CC)[C@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[NH+](C)C ZINC000525736802 871320235 /nfs/dbraw/zinc/32/02/35/871320235.db2.gz ZPLGUQNHQBMAOM-QAPCUYQASA-N 2 2 395.617 3.863 20 0 GHADLP CCC(CC)[C@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[NH+](C)C ZINC000525736802 871320256 /nfs/dbraw/zinc/32/02/56/871320256.db2.gz ZPLGUQNHQBMAOM-QAPCUYQASA-N 2 2 395.617 3.863 20 0 GHADLP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463272947 871342894 /nfs/dbraw/zinc/34/28/94/871342894.db2.gz WBLMSWBKLHNJRN-NBGIEHNGSA-N 2 2 395.566 3.943 20 0 GHADLP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463272946 871343805 /nfs/dbraw/zinc/34/38/05/871343805.db2.gz WBLMSWBKLHNJRN-CPJSRVTESA-N 2 2 395.566 3.943 20 0 GHADLP CN(C(=O)c1ccc2ccccc2n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000252726773 871361708 /nfs/dbraw/zinc/36/17/08/871361708.db2.gz FCAZTCVMKPAKBD-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccc2ccccc2n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000252726773 871361724 /nfs/dbraw/zinc/36/17/24/871361724.db2.gz FCAZTCVMKPAKBD-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3csc(C(C)(C)C)n3)CC2)C[C@H](C)O1 ZINC000539145634 871371450 /nfs/dbraw/zinc/37/14/50/871371450.db2.gz KYNOXMGONGQVLR-CALCHBBNSA-N 2 2 395.613 3.531 20 0 GHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3csc(C(C)(C)C)n3)CC2)C[C@H](C)O1 ZINC000539145634 871371468 /nfs/dbraw/zinc/37/14/68/871371468.db2.gz KYNOXMGONGQVLR-CALCHBBNSA-N 2 2 395.613 3.531 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181725968 871432128 /nfs/dbraw/zinc/43/21/28/871432128.db2.gz WVMGPXFTBMWADJ-OAQYLSRUSA-N 2 2 398.551 3.512 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1C ZINC000103312080 871671012 /nfs/dbraw/zinc/67/10/12/871671012.db2.gz CUDYWPMZMWQGQJ-LJQANCHMSA-N 2 2 388.556 3.505 20 0 GHADLP O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C1 ZINC001169735362 871831645 /nfs/dbraw/zinc/83/16/45/871831645.db2.gz IMCFPXWWZOKYEQ-ZEQRLZLVSA-N 2 2 391.559 3.588 20 0 GHADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+]([C@H]2CCCC4(C2)OCCO4)CC3)cs1 ZINC001169945606 872045370 /nfs/dbraw/zinc/04/53/70/872045370.db2.gz LDBQYAYEOYFCDJ-IBGZPJMESA-N 2 2 391.581 3.568 20 0 GHADLP Cc1nc(C[N@H+]2CCCC23CC[NH+]([C@H]2CCCC4(C2)OCCO4)CC3)cs1 ZINC001169945606 872045391 /nfs/dbraw/zinc/04/53/91/872045391.db2.gz LDBQYAYEOYFCDJ-IBGZPJMESA-N 2 2 391.581 3.568 20 0 GHADLP COc1cc(C[NH+]2CCC([N@H+](C)CCCO)CC2)c(-c2ccccc2)cc1OC ZINC000093394859 872148977 /nfs/dbraw/zinc/14/89/77/872148977.db2.gz GJBAPSOQXRBXNV-UHFFFAOYSA-N 2 2 398.547 3.649 20 0 GHADLP COc1cc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c(-c2ccccc2)cc1OC ZINC000093394859 872148984 /nfs/dbraw/zinc/14/89/84/872148984.db2.gz GJBAPSOQXRBXNV-UHFFFAOYSA-N 2 2 398.547 3.649 20 0 GHADLP COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000619078122 872282808 /nfs/dbraw/zinc/28/28/08/872282808.db2.gz WEWDZOCECGCTOW-VXKWHMMOSA-N 2 2 382.504 3.506 20 0 GHADLP COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000619078122 872282821 /nfs/dbraw/zinc/28/28/21/872282821.db2.gz WEWDZOCECGCTOW-VXKWHMMOSA-N 2 2 382.504 3.506 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[N@@H+]1Cc1ccccc1 ZINC000182415798 872335335 /nfs/dbraw/zinc/33/53/35/872335335.db2.gz LZBCUUDVJNCJAG-YLJYHZDGSA-N 2 2 392.499 3.984 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[N@H+]1Cc1ccccc1 ZINC000182415798 872335353 /nfs/dbraw/zinc/33/53/53/872335353.db2.gz LZBCUUDVJNCJAG-YLJYHZDGSA-N 2 2 392.499 3.984 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[NH+]1Cc1ccccc1 ZINC000182415798 872335368 /nfs/dbraw/zinc/33/53/68/872335368.db2.gz LZBCUUDVJNCJAG-YLJYHZDGSA-N 2 2 392.499 3.984 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[NH+]1Cc1ccccc1 ZINC000182415798 872335385 /nfs/dbraw/zinc/33/53/85/872335385.db2.gz LZBCUUDVJNCJAG-YLJYHZDGSA-N 2 2 392.499 3.984 20 0 GHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000093770024 872409431 /nfs/dbraw/zinc/40/94/31/872409431.db2.gz KRGQRNVMHPYKFJ-MRXNPFEDSA-N 2 2 391.357 3.717 20 0 GHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000093770024 872409437 /nfs/dbraw/zinc/40/94/37/872409437.db2.gz KRGQRNVMHPYKFJ-MRXNPFEDSA-N 2 2 391.357 3.717 20 0 GHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000093770024 872409448 /nfs/dbraw/zinc/40/94/48/872409448.db2.gz KRGQRNVMHPYKFJ-MRXNPFEDSA-N 2 2 391.357 3.717 20 0 GHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000093770024 872409454 /nfs/dbraw/zinc/40/94/54/872409454.db2.gz KRGQRNVMHPYKFJ-MRXNPFEDSA-N 2 2 391.357 3.717 20 0 GHADLP C[C@H](CNc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1)c1ccc(F)cc1 ZINC000527354618 873072559 /nfs/dbraw/zinc/07/25/59/873072559.db2.gz NTROTXZZKOWEFO-MRXNPFEDSA-N 2 2 382.483 3.792 20 0 GHADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C1 ZINC000768498185 873337530 /nfs/dbraw/zinc/33/75/30/873337530.db2.gz FVMKWHZYULKTJC-UZLBHIALSA-N 2 2 386.499 3.621 20 0 GHADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C1 ZINC000768498185 873337544 /nfs/dbraw/zinc/33/75/44/873337544.db2.gz FVMKWHZYULKTJC-UZLBHIALSA-N 2 2 386.499 3.621 20 0 GHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C1 ZINC000768498185 873337556 /nfs/dbraw/zinc/33/75/56/873337556.db2.gz FVMKWHZYULKTJC-UZLBHIALSA-N 2 2 386.499 3.621 20 0 GHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C1 ZINC000768498185 873337568 /nfs/dbraw/zinc/33/75/68/873337568.db2.gz FVMKWHZYULKTJC-UZLBHIALSA-N 2 2 386.499 3.621 20 0 GHADLP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ncc(Cl)cc2Br)cc1 ZINC000527639937 873391490 /nfs/dbraw/zinc/39/14/90/873391490.db2.gz GQSGZSNQKRCQPD-UHFFFAOYSA-N 2 2 398.732 3.728 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2ccc(-c3ccccc3)o2)([NH+]2CCCCC2)CC1 ZINC000541433179 873569025 /nfs/dbraw/zinc/56/90/25/873569025.db2.gz CJRFUMWAJGXVJS-UHFFFAOYSA-N 2 2 381.520 3.627 20 0 GHADLP Cn1c[nH+]cc1Cc1noc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)n1 ZINC000528152324 874097259 /nfs/dbraw/zinc/09/72/59/874097259.db2.gz FHQUZBQOVXZDLO-LEWJYISDSA-N 2 2 391.519 3.800 20 0 GHADLP Cn1c[nH+]cc1Cc1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)n1 ZINC000528152324 874097277 /nfs/dbraw/zinc/09/72/77/874097277.db2.gz FHQUZBQOVXZDLO-LEWJYISDSA-N 2 2 391.519 3.800 20 0 GHADLP Cc1cccnc1[C@@H](NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1)C1CC1 ZINC001198037068 874192429 /nfs/dbraw/zinc/19/24/29/874192429.db2.gz UNMQAORFCPYLIX-QHCPKHFHSA-N 2 2 394.563 3.655 20 0 GHADLP Cc1cccnc1[C@@H](NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1)C1CC1 ZINC001198037068 874192435 /nfs/dbraw/zinc/19/24/35/874192435.db2.gz UNMQAORFCPYLIX-QHCPKHFHSA-N 2 2 394.563 3.655 20 0 GHADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc(-c4cccs4)no3)CC2)C[C@@H](C)O1 ZINC000177506256 882809081 /nfs/dbraw/zinc/80/90/81/882809081.db2.gz ITMRPRKAEDKVDU-HZPDHXFCSA-N 2 2 390.553 3.509 20 0 GHADLP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000769962766 874366686 /nfs/dbraw/zinc/36/66/86/874366686.db2.gz QHFOXKUWZHECOJ-XLIONFOSSA-N 2 2 396.535 3.742 20 0 GHADLP CC[NH+](CC)[C@@H](C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000449059381 874395648 /nfs/dbraw/zinc/39/56/48/874395648.db2.gz ABUVHAAHRINTJS-GCJKJVERSA-N 2 2 388.577 3.866 20 0 GHADLP CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805080 874518808 /nfs/dbraw/zinc/51/88/08/874518808.db2.gz JNHBTRSEKCBUOE-SFHVURJKSA-N 2 2 398.526 3.636 20 0 GHADLP CC[N@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805080 874518811 /nfs/dbraw/zinc/51/88/11/874518811.db2.gz JNHBTRSEKCBUOE-SFHVURJKSA-N 2 2 398.526 3.636 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC001198789913 874611480 /nfs/dbraw/zinc/61/14/80/874611480.db2.gz AZPDLZRVUXAGTN-MOPGFXCFSA-N 2 2 375.557 3.793 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC001198789913 874611486 /nfs/dbraw/zinc/61/14/86/874611486.db2.gz AZPDLZRVUXAGTN-MOPGFXCFSA-N 2 2 375.557 3.793 20 0 GHADLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000464846712 874629181 /nfs/dbraw/zinc/62/91/81/874629181.db2.gz SVWYQHVNZTXAPU-FYYLOGMGSA-N 2 2 377.532 3.636 20 0 GHADLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000464846712 874629187 /nfs/dbraw/zinc/62/91/87/874629187.db2.gz SVWYQHVNZTXAPU-FYYLOGMGSA-N 2 2 377.532 3.636 20 0 GHADLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000464846712 874629191 /nfs/dbraw/zinc/62/91/91/874629191.db2.gz SVWYQHVNZTXAPU-FYYLOGMGSA-N 2 2 377.532 3.636 20 0 GHADLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000464846712 874629199 /nfs/dbraw/zinc/62/91/99/874629199.db2.gz SVWYQHVNZTXAPU-FYYLOGMGSA-N 2 2 377.532 3.636 20 0 GHADLP C[C@@H](Cc1ccccc1)[NH+]1CCC(Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000449317402 874723956 /nfs/dbraw/zinc/72/39/56/874723956.db2.gz BUXUIRWKKJJMHQ-IBGZPJMESA-N 2 2 375.520 3.834 20 0 GHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000303013805 874812106 /nfs/dbraw/zinc/81/21/06/874812106.db2.gz KVGNFUKAYNYMAW-RBBKRZOGSA-N 2 2 375.601 3.826 20 0 GHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000303013805 874812123 /nfs/dbraw/zinc/81/21/23/874812123.db2.gz KVGNFUKAYNYMAW-RBBKRZOGSA-N 2 2 375.601 3.826 20 0 GHADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3c(Cl)nc(Cl)n3C)cc2)C[C@H](C)O1 ZINC001199239134 874867763 /nfs/dbraw/zinc/86/77/63/874867763.db2.gz ZMGPOQVKHJDYHM-KBPBESRZSA-N 2 2 397.350 3.626 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)CCc3ccc(O)cc3)CC2)cc1 ZINC000449527108 875005905 /nfs/dbraw/zinc/00/59/05/875005905.db2.gz ZNFNBOHBYFXCJH-GOSISDBHSA-N 2 2 395.547 3.926 20 0 GHADLP C[C@@H]1CC(F)(F)CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000528764391 875025635 /nfs/dbraw/zinc/02/56/35/875025635.db2.gz DWYWZPQNOZSMFE-CRAIPNDOSA-N 2 2 399.913 3.713 20 0 GHADLP C[C@@H]1CC(F)(F)CC[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000528764391 875025639 /nfs/dbraw/zinc/02/56/39/875025639.db2.gz DWYWZPQNOZSMFE-CRAIPNDOSA-N 2 2 399.913 3.713 20 0 GHADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000528890228 875223764 /nfs/dbraw/zinc/22/37/64/875223764.db2.gz AUYYXYBDPRALHS-HOJAQTOUSA-N 2 2 375.557 3.569 20 0 GHADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000528890228 875223769 /nfs/dbraw/zinc/22/37/69/875223769.db2.gz AUYYXYBDPRALHS-HOJAQTOUSA-N 2 2 375.557 3.569 20 0 GHADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)CCO1 ZINC001201676199 875809392 /nfs/dbraw/zinc/80/93/92/875809392.db2.gz NPIFETKAFSFIQH-FXAWDEMLSA-N 2 2 377.916 3.909 20 0 GHADLP CC(C)[C@H](Cc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172754465 875901401 /nfs/dbraw/zinc/90/14/01/875901401.db2.gz GPNDDOLWFOZPDM-QFIPXVFZSA-N 2 2 385.596 3.568 20 0 GHADLP CN(C(=O)CCCC(=O)C(C)(C)C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450225924 876088103 /nfs/dbraw/zinc/08/81/03/876088103.db2.gz INVOICTVXRLZSI-UXHICEINSA-N 2 2 393.616 3.568 20 0 GHADLP CN(C(=O)CCCC(=O)C(C)(C)C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450225924 876088109 /nfs/dbraw/zinc/08/81/09/876088109.db2.gz INVOICTVXRLZSI-UXHICEINSA-N 2 2 393.616 3.568 20 0 GHADLP Cc1ccc(NC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(N(C)C)[nH+]1 ZINC001202394718 876197896 /nfs/dbraw/zinc/19/78/96/876197896.db2.gz FZZBSRMCTSNUNA-QUCCMNQESA-N 2 2 395.551 3.878 20 0 GHADLP Cc1ccc(NC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(N(C)C)[nH+]1 ZINC001202394718 876197900 /nfs/dbraw/zinc/19/79/00/876197900.db2.gz FZZBSRMCTSNUNA-QUCCMNQESA-N 2 2 395.551 3.878 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529522738 876282093 /nfs/dbraw/zinc/28/20/93/876282093.db2.gz ZLSNMAKCGYVYAO-UHFFFAOYSA-N 2 2 383.359 3.817 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529522738 876282107 /nfs/dbraw/zinc/28/21/07/876282107.db2.gz ZLSNMAKCGYVYAO-UHFFFAOYSA-N 2 2 383.359 3.817 20 0 GHADLP FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000450323477 876284866 /nfs/dbraw/zinc/28/48/66/876284866.db2.gz IFPKWLZRTMJNDK-WOJBJXKFSA-N 2 2 392.538 3.741 20 0 GHADLP FC1(F)CCCC[C@@H]1C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000450323477 876284879 /nfs/dbraw/zinc/28/48/79/876284879.db2.gz IFPKWLZRTMJNDK-WOJBJXKFSA-N 2 2 392.538 3.741 20 0 GHADLP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1Cl ZINC000173385472 876354390 /nfs/dbraw/zinc/35/43/90/876354390.db2.gz CCIOKHAPOXETHD-KRWDZBQOSA-N 2 2 392.975 3.651 20 0 GHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000492252669 876534890 /nfs/dbraw/zinc/53/48/90/876534890.db2.gz LFMVITZVEWMCCX-KRWDZBQOSA-N 2 2 392.507 3.577 20 0 GHADLP C[C@@H](c1cnn(C)c1)[NH+](C)Cc1cc(C[N@@H+](C)[C@@H](C)c2cnn(C)c2)ccc1F ZINC000450699276 876793769 /nfs/dbraw/zinc/79/37/69/876793769.db2.gz KNIQHAHCKCFSHM-IRXDYDNUSA-N 2 2 398.530 3.679 20 0 GHADLP C[C@@H](c1cnn(C)c1)[NH+](C)Cc1cc(C[N@H+](C)[C@@H](C)c2cnn(C)c2)ccc1F ZINC000450699276 876793773 /nfs/dbraw/zinc/79/37/73/876793773.db2.gz KNIQHAHCKCFSHM-IRXDYDNUSA-N 2 2 398.530 3.679 20 0 GHADLP C[C@@H](c1cnn(C)c1)[NH+](C)Cc1ccc(F)c(C[N@H+](C)[C@@H](C)c2cnn(C)c2)c1 ZINC000450699276 876793778 /nfs/dbraw/zinc/79/37/78/876793778.db2.gz KNIQHAHCKCFSHM-IRXDYDNUSA-N 2 2 398.530 3.679 20 0 GHADLP C[C@@H](c1cnn(C)c1)[NH+](C)Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)c2cnn(C)c2)c1 ZINC000450699276 876793781 /nfs/dbraw/zinc/79/37/81/876793781.db2.gz KNIQHAHCKCFSHM-IRXDYDNUSA-N 2 2 398.530 3.679 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)s1 ZINC000850342296 876831317 /nfs/dbraw/zinc/83/13/17/876831317.db2.gz KPCBZNQIDLHLSE-UHFFFAOYSA-N 2 2 376.526 3.842 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3cc(C)c4ccc(C)cc4[nH+]3)C2)CC1 ZINC000450749383 876850865 /nfs/dbraw/zinc/85/08/65/876850865.db2.gz YDCQIAJTGJWGPN-OAQYLSRUSA-N 2 2 394.563 3.622 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(c3cc(C)c4ccc(C)cc4[nH+]3)C2)CC1 ZINC000450749383 876850871 /nfs/dbraw/zinc/85/08/71/876850871.db2.gz YDCQIAJTGJWGPN-OAQYLSRUSA-N 2 2 394.563 3.622 20 0 GHADLP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)n(C)n1 ZINC000850398247 876880199 /nfs/dbraw/zinc/88/01/99/876880199.db2.gz MCPAHAKMYHKYLT-NTKDMRAZSA-N 2 2 395.595 3.764 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1Cl ZINC000850512927 876983292 /nfs/dbraw/zinc/98/32/92/876983292.db2.gz LNIHIRONBZQERU-DNVCBOLYSA-N 2 2 387.911 3.522 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1Cl ZINC000850512927 876983298 /nfs/dbraw/zinc/98/32/98/876983298.db2.gz LNIHIRONBZQERU-DNVCBOLYSA-N 2 2 387.911 3.522 20 0 GHADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000530029848 876990631 /nfs/dbraw/zinc/99/06/31/876990631.db2.gz XEASSBFPAFIOJC-AZUAARDMSA-N 2 2 384.568 3.626 20 0 GHADLP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000530029848 876990638 /nfs/dbraw/zinc/99/06/38/876990638.db2.gz XEASSBFPAFIOJC-AZUAARDMSA-N 2 2 384.568 3.626 20 0 GHADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373491094 877294427 /nfs/dbraw/zinc/29/44/27/877294427.db2.gz TYBVPLKWFDWSKA-FAEJEUNOSA-N 2 2 389.506 3.563 20 0 GHADLP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(F)c(Br)c1 ZINC000530237200 877341965 /nfs/dbraw/zinc/34/19/65/877341965.db2.gz VEGKKYIUZZAVKM-MAUKXSAKSA-N 2 2 385.321 3.618 20 0 GHADLP O[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(F)c(Br)c1 ZINC000530237200 877341986 /nfs/dbraw/zinc/34/19/86/877341986.db2.gz VEGKKYIUZZAVKM-MAUKXSAKSA-N 2 2 385.321 3.618 20 0 GHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000137128934 877513050 /nfs/dbraw/zinc/51/30/50/877513050.db2.gz FPFDVNKLCLYTGO-PMACEKPBSA-N 2 2 397.567 3.593 20 0 GHADLP c1ccc(COC[C@H]2CC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699423 877663423 /nfs/dbraw/zinc/66/34/23/877663423.db2.gz ANUQBJRSRWYFJE-DQEYMECFSA-N 2 2 394.559 3.816 20 0 GHADLP c1ccc(COC[C@H]2CC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699423 877663440 /nfs/dbraw/zinc/66/34/40/877663440.db2.gz ANUQBJRSRWYFJE-DQEYMECFSA-N 2 2 394.559 3.816 20 0 GHADLP c1ccc(COC[C@H]2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699423 877663473 /nfs/dbraw/zinc/66/34/73/877663473.db2.gz ANUQBJRSRWYFJE-DQEYMECFSA-N 2 2 394.559 3.816 20 0 GHADLP c1ccc(COC[C@H]2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699423 877663485 /nfs/dbraw/zinc/66/34/85/877663485.db2.gz ANUQBJRSRWYFJE-DQEYMECFSA-N 2 2 394.559 3.816 20 0 GHADLP C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 ZINC000477481989 877710561 /nfs/dbraw/zinc/71/05/61/877710561.db2.gz KLLIQPKNQPWDAA-GOSISDBHSA-N 2 2 398.576 3.904 20 0 GHADLP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 ZINC000477481989 877710576 /nfs/dbraw/zinc/71/05/76/877710576.db2.gz KLLIQPKNQPWDAA-GOSISDBHSA-N 2 2 398.576 3.904 20 0 GHADLP C[NH+]1CCCC[C@@H]1CCC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000477481989 877710585 /nfs/dbraw/zinc/71/05/85/877710585.db2.gz KLLIQPKNQPWDAA-GOSISDBHSA-N 2 2 398.576 3.904 20 0 GHADLP C[NH+]1CCCC[C@@H]1CCC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000477481989 877710601 /nfs/dbraw/zinc/71/06/01/877710601.db2.gz KLLIQPKNQPWDAA-GOSISDBHSA-N 2 2 398.576 3.904 20 0 GHADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc(Br)o3)cc2)C[C@H](C)O1 ZINC000237633563 877725655 /nfs/dbraw/zinc/72/56/55/877725655.db2.gz JGLKDTWDWGGXEV-GJZGRUSLSA-N 2 2 393.325 3.941 20 0 GHADLP Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000615462805 877774715 /nfs/dbraw/zinc/77/47/15/877774715.db2.gz HPFQTPFHYRIYTK-OAQYLSRUSA-N 2 2 383.561 3.538 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000245430397 877867580 /nfs/dbraw/zinc/86/75/80/877867580.db2.gz NPBOOFFSLJORQB-NZQKXSOJSA-N 2 2 393.575 3.897 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000245430397 877867605 /nfs/dbraw/zinc/86/76/05/877867605.db2.gz NPBOOFFSLJORQB-NZQKXSOJSA-N 2 2 393.575 3.897 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)C(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000245430397 877867611 /nfs/dbraw/zinc/86/76/11/877867611.db2.gz NPBOOFFSLJORQB-NZQKXSOJSA-N 2 2 393.575 3.897 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)C(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000245430397 877867624 /nfs/dbraw/zinc/86/76/24/877867624.db2.gz NPBOOFFSLJORQB-NZQKXSOJSA-N 2 2 393.575 3.897 20 0 GHADLP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451473620 878019865 /nfs/dbraw/zinc/01/98/65/878019865.db2.gz WPQQOQXQICXNLP-RXVVDRJESA-N 2 2 384.568 3.723 20 0 GHADLP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451473620 878019877 /nfs/dbraw/zinc/01/98/77/878019877.db2.gz WPQQOQXQICXNLP-RXVVDRJESA-N 2 2 384.568 3.723 20 0 GHADLP Cc1ccccc1[C@H]1CC(=O)N(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000788383382 878046349 /nfs/dbraw/zinc/04/63/49/878046349.db2.gz XRSZFNVHTWOONM-FQEVSTJZSA-N 2 2 392.547 3.681 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cc2ccccc2o1 ZINC000245594811 878168328 /nfs/dbraw/zinc/16/83/28/878168328.db2.gz LGURQCICWICBRI-LSTDLKDCSA-N 2 2 380.492 3.778 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cc2ccccc2o1 ZINC000245594811 878168339 /nfs/dbraw/zinc/16/83/39/878168339.db2.gz LGURQCICWICBRI-LSTDLKDCSA-N 2 2 380.492 3.778 20 0 GHADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000530631003 878202584 /nfs/dbraw/zinc/20/25/84/878202584.db2.gz GCJLTWJFUBZHIU-UHFFFAOYSA-N 2 2 383.536 3.640 20 0 GHADLP CN(C(=O)c1cccc(Cl)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245688808 878389673 /nfs/dbraw/zinc/38/96/73/878389673.db2.gz JBXWIFZWOCIACS-WOJBJXKFSA-N 2 2 377.960 3.749 20 0 GHADLP CN(C(=O)c1cccc(Cl)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245688808 878389686 /nfs/dbraw/zinc/38/96/86/878389686.db2.gz JBXWIFZWOCIACS-WOJBJXKFSA-N 2 2 377.960 3.749 20 0 GHADLP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCCCn3cc[nH+]c3)c2)cc1 ZINC000616026470 878408769 /nfs/dbraw/zinc/40/87/69/878408769.db2.gz MQYLOCXBZLHIQO-UHFFFAOYSA-N 2 2 378.476 3.714 20 0 GHADLP CN(C(=O)c1ccccc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245726465 878477701 /nfs/dbraw/zinc/47/77/01/878477701.db2.gz QYVHANPGWPBFAI-VQTJNVASSA-N 2 2 377.960 3.749 20 0 GHADLP CN(C(=O)c1ccccc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245726465 878477712 /nfs/dbraw/zinc/47/77/12/878477712.db2.gz QYVHANPGWPBFAI-VQTJNVASSA-N 2 2 377.960 3.749 20 0 GHADLP CN(C(=O)c1ccc(Cl)c(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245793442 878598551 /nfs/dbraw/zinc/59/85/51/878598551.db2.gz XTQNIQPQEIGUDY-WOJBJXKFSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1ccc(Cl)c(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245793442 878598571 /nfs/dbraw/zinc/59/85/71/878598571.db2.gz XTQNIQPQEIGUDY-WOJBJXKFSA-N 2 2 395.950 3.888 20 0 GHADLP O=C1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CN1c1ccccc1Cl ZINC000537975723 878608980 /nfs/dbraw/zinc/60/89/80/878608980.db2.gz ZRXXLALIMXZDKR-HXUWFJFHSA-N 2 2 397.950 3.742 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177590894 878767686 /nfs/dbraw/zinc/76/76/86/878767686.db2.gz URJMGURCDDRGCK-OALUTQOASA-N 2 2 388.515 3.759 20 0 GHADLP Ic1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853093907 878810398 /nfs/dbraw/zinc/81/03/98/878810398.db2.gz UEJFUVMWDDVVOU-HNNXBMFYSA-N 2 2 384.305 3.503 20 0 GHADLP Ic1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853093907 878810405 /nfs/dbraw/zinc/81/04/05/878810405.db2.gz UEJFUVMWDDVVOU-HNNXBMFYSA-N 2 2 384.305 3.503 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2cccs2)cc1 ZINC000531188884 879278828 /nfs/dbraw/zinc/27/88/28/879278828.db2.gz YVPVEVCHQWJOPZ-NRFANRHFSA-N 2 2 394.544 3.865 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1OC(F)F ZINC000246373726 879472791 /nfs/dbraw/zinc/47/27/91/879472791.db2.gz JNMBDVHAUYWITR-DOPJRALCSA-N 2 2 386.458 3.846 20 0 GHADLP COc1cc(F)c([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1OC ZINC000538556476 879708384 /nfs/dbraw/zinc/70/83/84/879708384.db2.gz CMHKGSPJLONTEQ-GOEBONIOSA-N 2 2 388.487 3.551 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000494000014 879803624 /nfs/dbraw/zinc/80/36/24/879803624.db2.gz NWKAKUSLFAFHKU-LJQANCHMSA-N 2 2 390.531 3.505 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000494000014 879803642 /nfs/dbraw/zinc/80/36/42/879803642.db2.gz NWKAKUSLFAFHKU-LJQANCHMSA-N 2 2 390.531 3.505 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000140032039 879865214 /nfs/dbraw/zinc/86/52/14/879865214.db2.gz MGFSKPGHJDTWMX-UEVCKROQSA-N 2 2 391.559 3.697 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000140032039 879865229 /nfs/dbraw/zinc/86/52/29/879865229.db2.gz MGFSKPGHJDTWMX-UEVCKROQSA-N 2 2 391.559 3.697 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000140032039 879865242 /nfs/dbraw/zinc/86/52/42/879865242.db2.gz MGFSKPGHJDTWMX-UEVCKROQSA-N 2 2 391.559 3.697 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000140032039 879865253 /nfs/dbraw/zinc/86/52/53/879865253.db2.gz MGFSKPGHJDTWMX-UEVCKROQSA-N 2 2 391.559 3.697 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000247053322 879902367 /nfs/dbraw/zinc/90/23/67/879902367.db2.gz ZJMNYFKVDMZBHY-VKRLORBYSA-N 2 2 395.547 3.947 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000247053322 879902377 /nfs/dbraw/zinc/90/23/77/879902377.db2.gz ZJMNYFKVDMZBHY-VKRLORBYSA-N 2 2 395.547 3.947 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000247053322 879902388 /nfs/dbraw/zinc/90/23/88/879902388.db2.gz ZJMNYFKVDMZBHY-VKRLORBYSA-N 2 2 395.547 3.947 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000247053322 879902399 /nfs/dbraw/zinc/90/23/99/879902399.db2.gz ZJMNYFKVDMZBHY-VKRLORBYSA-N 2 2 395.547 3.947 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000247959736 880095736 /nfs/dbraw/zinc/09/57/36/880095736.db2.gz GAHYVKAECFRKCI-PTUXOGIPSA-N 2 2 393.531 3.791 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000247959736 880095750 /nfs/dbraw/zinc/09/57/50/880095750.db2.gz GAHYVKAECFRKCI-PTUXOGIPSA-N 2 2 393.531 3.791 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000247959736 880095761 /nfs/dbraw/zinc/09/57/61/880095761.db2.gz GAHYVKAECFRKCI-PTUXOGIPSA-N 2 2 393.531 3.791 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000247959736 880095771 /nfs/dbraw/zinc/09/57/71/880095771.db2.gz GAHYVKAECFRKCI-PTUXOGIPSA-N 2 2 393.531 3.791 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000184752186 880373009 /nfs/dbraw/zinc/37/30/09/880373009.db2.gz FEYIBRIFYQVWPI-HZPDHXFCSA-N 2 2 387.474 3.650 20 0 GHADLP COC(=O)c1cc(Br)oc1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001183510486 912608014 /nfs/dbraw/zinc/60/80/14/912608014.db2.gz FOSDELNFPQJECD-UHFFFAOYSA-N 2 2 387.318 3.527 20 0 GHADLP COC(=O)c1cc(Br)oc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001183510486 912608027 /nfs/dbraw/zinc/60/80/27/912608027.db2.gz FOSDELNFPQJECD-UHFFFAOYSA-N 2 2 387.318 3.527 20 0 GHADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000531960887 880824195 /nfs/dbraw/zinc/82/41/95/880824195.db2.gz FPQNGMREMOGKGX-MBSDFSHPSA-N 2 2 395.547 3.932 20 0 GHADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000531960887 880824206 /nfs/dbraw/zinc/82/42/06/880824206.db2.gz FPQNGMREMOGKGX-MBSDFSHPSA-N 2 2 395.547 3.932 20 0 GHADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000531960889 880824420 /nfs/dbraw/zinc/82/44/20/880824420.db2.gz FPQNGMREMOGKGX-WZONZLPQSA-N 2 2 395.547 3.932 20 0 GHADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000531960889 880824435 /nfs/dbraw/zinc/82/44/35/880824435.db2.gz FPQNGMREMOGKGX-WZONZLPQSA-N 2 2 395.547 3.932 20 0 GHADLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1OC(F)F ZINC000531965517 880831695 /nfs/dbraw/zinc/83/16/95/880831695.db2.gz FOYURKMWWJHWFZ-FXAWDEMLSA-N 2 2 389.490 3.927 20 0 GHADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCO1 ZINC001170177076 881186223 /nfs/dbraw/zinc/18/62/23/881186223.db2.gz DOYGANOLUGESLG-WXFUMESZSA-N 2 2 382.548 3.597 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccccc1 ZINC000643378073 912665649 /nfs/dbraw/zinc/66/56/49/912665649.db2.gz VLAOGPWBTGSUAP-SFHVURJKSA-N 2 2 380.458 3.710 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@H](C)Cc3ccccc3Cl)CC2)C1 ZINC001170295891 881315352 /nfs/dbraw/zinc/31/53/52/881315352.db2.gz XDHRWQZVMJBXTN-AEFFLSMTSA-N 2 2 378.944 3.620 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H](C)Cc3ccccc3Cl)CC2)C1 ZINC001170295891 881315370 /nfs/dbraw/zinc/31/53/70/881315370.db2.gz XDHRWQZVMJBXTN-AEFFLSMTSA-N 2 2 378.944 3.620 20 0 GHADLP COc1ccc([C@H]([NH2+]CCc2c[nH]c3ccc(OC)cc23)[C@H]2CCC[NH2+]2)cc1 ZINC000643453892 912708791 /nfs/dbraw/zinc/70/87/91/912708791.db2.gz FPFSYCUBTFPOKN-PKTZIBPZSA-N 2 2 379.504 3.811 20 0 GHADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)Nc1ccc2[nH+]ccn2c1 ZINC000666131493 883448914 /nfs/dbraw/zinc/44/89/14/883448914.db2.gz DTIXDIXSKLWWOY-IBGZPJMESA-N 2 2 389.503 3.758 20 0 GHADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)Nc1ccc2[nH+]ccn2c1 ZINC000666131493 883448921 /nfs/dbraw/zinc/44/89/21/883448921.db2.gz DTIXDIXSKLWWOY-IBGZPJMESA-N 2 2 389.503 3.758 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H](CNC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000186876805 883726872 /nfs/dbraw/zinc/72/68/72/883726872.db2.gz SVGCGQNXJXJMII-DEOSSOPVSA-N 2 2 378.564 3.546 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H](CNC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000186876805 883726882 /nfs/dbraw/zinc/72/68/82/883726882.db2.gz SVGCGQNXJXJMII-DEOSSOPVSA-N 2 2 378.564 3.546 20 0 GHADLP CCCOc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000428549254 884628659 /nfs/dbraw/zinc/62/86/59/884628659.db2.gz SGOUHOFLBZBNEU-JOCHJYFZSA-N 2 2 398.547 3.865 20 0 GHADLP CCCOc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000428549254 884628665 /nfs/dbraw/zinc/62/86/65/884628665.db2.gz SGOUHOFLBZBNEU-JOCHJYFZSA-N 2 2 398.547 3.865 20 0 GHADLP Clc1ccc(-c2ccc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)cc2)cc1 ZINC000671190634 885170680 /nfs/dbraw/zinc/17/06/80/885170680.db2.gz OYRVITNSOPIJTG-QHCPKHFHSA-N 2 2 399.966 3.503 20 0 GHADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CSCCN3Cc3ccccc3)cc2)c[nH+]1 ZINC000428560364 885467501 /nfs/dbraw/zinc/46/75/01/885467501.db2.gz RYEBIZIPFZETRO-JOCHJYFZSA-N 2 2 378.545 3.580 20 0 GHADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000532449962 885512737 /nfs/dbraw/zinc/51/27/37/885512737.db2.gz MHAFSICBPQGLAE-LSDHHAIUSA-N 2 2 382.346 3.630 20 0 GHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]1c1ccccc1 ZINC000550622938 885551445 /nfs/dbraw/zinc/55/14/45/885551445.db2.gz QXDKNGLJOPPRKJ-QZTJIDSGSA-N 2 2 379.426 3.948 20 0 GHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]1c1ccccc1 ZINC000550622938 885551460 /nfs/dbraw/zinc/55/14/60/885551460.db2.gz QXDKNGLJOPPRKJ-QZTJIDSGSA-N 2 2 379.426 3.948 20 0 GHADLP FC(F)(F)Oc1ccc(C2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000655771100 885805347 /nfs/dbraw/zinc/80/53/47/885805347.db2.gz AFCRPQGKCXOZGV-SFHVURJKSA-N 2 2 384.442 3.807 20 0 GHADLP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000862272336 886271466 /nfs/dbraw/zinc/27/14/66/886271466.db2.gz IFXXZHLAPTYTDM-HUUCEWRRSA-N 2 2 386.487 3.532 20 0 GHADLP CC1CC[NH+](CCCNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000131790728 886552081 /nfs/dbraw/zinc/55/20/81/886552081.db2.gz HQRRDAAISIUHOE-VXKWHMMOSA-N 2 2 395.551 3.533 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123068570 886609541 /nfs/dbraw/zinc/60/95/41/886609541.db2.gz BYWDEQOCDIOIGL-YKSBVNFPSA-N 3 2 378.564 3.678 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123068570 886609553 /nfs/dbraw/zinc/60/95/53/886609553.db2.gz BYWDEQOCDIOIGL-YKSBVNFPSA-N 3 2 378.564 3.678 20 0 GHADLP c1cn(CC[NH2+]C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c[nH+]1 ZINC000132071894 886667644 /nfs/dbraw/zinc/66/76/44/886667644.db2.gz BMZSNKPWJOZTLO-UHFFFAOYSA-N 2 2 377.488 3.758 20 0 GHADLP c1ccc([C@H]2C[NH+](CCCC[N@@H+]3CCO[C@@H](c4ccccc4)C3)CCO2)cc1 ZINC000536540685 886879563 /nfs/dbraw/zinc/87/95/63/886879563.db2.gz DQSMADISSSACCI-DNQXCXABSA-N 2 2 380.532 3.914 20 0 GHADLP c1ccc([C@H]2C[NH+](CCCC[N@H+]3CCO[C@@H](c4ccccc4)C3)CCO2)cc1 ZINC000536540685 886879583 /nfs/dbraw/zinc/87/95/83/886879583.db2.gz DQSMADISSSACCI-DNQXCXABSA-N 2 2 380.532 3.914 20 0 GHADLP Cc1cc(NCCNC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)nc(C(C)C)[nH+]1 ZINC000863938508 887471933 /nfs/dbraw/zinc/47/19/33/887471933.db2.gz FWOXEXTYUJYBHM-HXUWFJFHSA-N 2 2 395.551 3.560 20 0 GHADLP Cc1cc(NCCNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)nc(C(C)C)[nH+]1 ZINC000863938508 887471940 /nfs/dbraw/zinc/47/19/40/887471940.db2.gz FWOXEXTYUJYBHM-HXUWFJFHSA-N 2 2 395.551 3.560 20 0 GHADLP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000134404857 887871914 /nfs/dbraw/zinc/87/19/14/887871914.db2.gz BEHBJSMOGAZLFQ-UGSOOPFHSA-N 2 2 397.332 3.666 20 0 GHADLP COc1ccc2c(C[NH+]3CCC(Oc4cc[nH+]cc4C)CC3)cc(=O)oc2c1 ZINC000809995732 888050994 /nfs/dbraw/zinc/05/09/94/888050994.db2.gz VIYAHXIIVKGZQT-UHFFFAOYSA-N 2 2 380.444 3.548 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)n2)C1 ZINC000809999520 888066152 /nfs/dbraw/zinc/06/61/52/888066152.db2.gz ODTLEZRSFGYZJH-AUUYWEPGSA-N 2 2 382.549 3.526 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)n2)C1 ZINC000809999520 888066165 /nfs/dbraw/zinc/06/61/65/888066165.db2.gz ODTLEZRSFGYZJH-AUUYWEPGSA-N 2 2 382.549 3.526 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)n2)C1 ZINC000809999520 888066177 /nfs/dbraw/zinc/06/61/77/888066177.db2.gz ODTLEZRSFGYZJH-AUUYWEPGSA-N 2 2 382.549 3.526 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)n2)C1 ZINC000809999520 888066188 /nfs/dbraw/zinc/06/61/88/888066188.db2.gz ODTLEZRSFGYZJH-AUUYWEPGSA-N 2 2 382.549 3.526 20 0 GHADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000287250103 913213400 /nfs/dbraw/zinc/21/34/00/913213400.db2.gz XEPVQITVQJJSQM-DYESRHJHSA-N 2 2 391.519 3.692 20 0 GHADLP C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000810253301 888355984 /nfs/dbraw/zinc/35/59/84/888355984.db2.gz QMQDMEVWSYTGLS-BRWVUGGUSA-N 2 2 376.545 3.815 20 0 GHADLP C[NH+]1CCC(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)(c2ccccc2)CC1 ZINC000865775293 888562704 /nfs/dbraw/zinc/56/27/04/888562704.db2.gz UDTREFFZUBGXCQ-UHFFFAOYSA-N 3 2 383.502 3.656 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245700509 889282222 /nfs/dbraw/zinc/28/22/22/889282222.db2.gz LRZOSEZGFDVPFX-VMAPGKTHSA-N 3 2 397.607 3.540 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245700509 889282234 /nfs/dbraw/zinc/28/22/34/889282234.db2.gz LRZOSEZGFDVPFX-VMAPGKTHSA-N 3 2 397.607 3.540 20 0 GHADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C1 ZINC000533106737 889783106 /nfs/dbraw/zinc/78/31/06/889783106.db2.gz YWYIOWLOGHXTHP-IRLDBZIGSA-N 2 2 397.950 3.525 20 0 GHADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C1 ZINC000533106737 889783111 /nfs/dbraw/zinc/78/31/11/889783111.db2.gz YWYIOWLOGHXTHP-IRLDBZIGSA-N 2 2 397.950 3.525 20 0 GHADLP CN(C(=O)c1nccc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124862671 889795727 /nfs/dbraw/zinc/79/57/27/889795727.db2.gz ODZPGMCLEJPREK-YADHBBJMSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1nccc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124862671 889795735 /nfs/dbraw/zinc/79/57/35/889795735.db2.gz ODZPGMCLEJPREK-YADHBBJMSA-N 2 2 394.563 3.644 20 0 GHADLP Cc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1F ZINC000124885203 889804193 /nfs/dbraw/zinc/80/41/93/889804193.db2.gz JVXYXPDPTLITPJ-UXHICEINSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1F ZINC000124885203 889804201 /nfs/dbraw/zinc/80/42/01/889804201.db2.gz JVXYXPDPTLITPJ-UXHICEINSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1ccc(Nc2nc(C[N@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)cs2)cc1 ZINC000533308374 890263843 /nfs/dbraw/zinc/26/38/43/890263843.db2.gz FWGOSYLFSUTBFE-OAQYLSRUSA-N 2 2 399.608 3.795 20 0 GHADLP Cc1ccc(Nc2nc(C[N@@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)cs2)cc1 ZINC000533308374 890263857 /nfs/dbraw/zinc/26/38/57/890263857.db2.gz FWGOSYLFSUTBFE-OAQYLSRUSA-N 2 2 399.608 3.795 20 0 GHADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)CCCO2 ZINC000126609344 890612173 /nfs/dbraw/zinc/61/21/73/890612173.db2.gz HIQROCYMESDBBV-QFIPXVFZSA-N 2 2 394.563 3.960 20 0 GHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000126736510 890671615 /nfs/dbraw/zinc/67/16/15/890671615.db2.gz JCTMDTRRUAVSMU-KRWDZBQOSA-N 2 2 387.955 3.947 20 0 GHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126736510 890671624 /nfs/dbraw/zinc/67/16/24/890671624.db2.gz JCTMDTRRUAVSMU-KRWDZBQOSA-N 2 2 387.955 3.947 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC(n3cc[nH+]c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000533578612 890889592 /nfs/dbraw/zinc/88/95/92/890889592.db2.gz GBGHIPHWNIUOIV-CTNGQTDRSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC(n3cc[nH+]c3)CC2)C[N@H+]1Cc1ccccc1 ZINC000533578612 890889606 /nfs/dbraw/zinc/88/96/06/890889606.db2.gz GBGHIPHWNIUOIV-CTNGQTDRSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@H](CC1CCCC1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650023 891046722 /nfs/dbraw/zinc/04/67/22/891046722.db2.gz YBSBLYUSSMBFDK-QIJUGHKUSA-N 2 2 377.617 3.998 20 0 GHADLP C[C@H](CC1CCCC1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650023 891046731 /nfs/dbraw/zinc/04/67/31/891046731.db2.gz YBSBLYUSSMBFDK-QIJUGHKUSA-N 2 2 377.617 3.998 20 0 GHADLP CN(C(=O)c1ccc2[nH]ccc2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649748 891047192 /nfs/dbraw/zinc/04/71/92/891047192.db2.gz ZXYFFMMPEICRNP-YADHBBJMSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1ccc2[nH]ccc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649748 891047198 /nfs/dbraw/zinc/04/71/98/891047198.db2.gz ZXYFFMMPEICRNP-YADHBBJMSA-N 2 2 382.552 3.577 20 0 GHADLP CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000067185562 891221696 /nfs/dbraw/zinc/22/16/96/891221696.db2.gz LJNPFZCBOSTGED-HSZRJFAPSA-N 2 2 389.547 3.655 20 0 GHADLP CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000067185562 891221710 /nfs/dbraw/zinc/22/17/10/891221710.db2.gz LJNPFZCBOSTGED-HSZRJFAPSA-N 2 2 389.547 3.655 20 0 GHADLP CC1([NH+]2CCCCC2)CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000872830379 891346953 /nfs/dbraw/zinc/34/69/53/891346953.db2.gz WULZPHHPWLHLFJ-UHFFFAOYSA-N 2 2 399.583 3.622 20 0 GHADLP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247219466 891356009 /nfs/dbraw/zinc/35/60/09/891356009.db2.gz XNIFLKPRRBSSAO-XMSQKQJNSA-N 2 2 380.536 3.820 20 0 GHADLP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247219466 891356020 /nfs/dbraw/zinc/35/60/20/891356020.db2.gz XNIFLKPRRBSSAO-XMSQKQJNSA-N 2 2 380.536 3.820 20 0 GHADLP Clc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1Br ZINC000873056905 891447995 /nfs/dbraw/zinc/44/79/95/891447995.db2.gz SPSGVANFMDLUMZ-CYBMUJFWSA-N 2 2 387.749 3.693 20 0 GHADLP C[C@@H](O)[C@](C)(C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Cc1ccccc1 ZINC000249713090 891519031 /nfs/dbraw/zinc/51/90/31/891519031.db2.gz ZFTLLXUIJWVNSD-CHOVIJNXSA-N 2 2 381.564 3.511 20 0 GHADLP C[C@@H](O)[C@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Cc1ccccc1 ZINC000249713090 891519033 /nfs/dbraw/zinc/51/90/33/891519033.db2.gz ZFTLLXUIJWVNSD-CHOVIJNXSA-N 2 2 381.564 3.511 20 0 GHADLP [NH3+]C[C@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C[C@H]1C(F)(F)F ZINC000873228166 891534404 /nfs/dbraw/zinc/53/44/04/891534404.db2.gz QACLJQRSIVQPSV-ZWKOTPCHSA-N 2 2 392.469 3.794 20 0 GHADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C[C@H]1C(F)(F)F ZINC000873228166 891534410 /nfs/dbraw/zinc/53/44/10/891534410.db2.gz QACLJQRSIVQPSV-ZWKOTPCHSA-N 2 2 392.469 3.794 20 0 GHADLP C[C@@H]1[C@@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000614903672 891576598 /nfs/dbraw/zinc/57/65/98/891576598.db2.gz VMCCDEMXXXWDLP-QIJUGHKUSA-N 2 2 388.515 3.711 20 0 GHADLP C[C@@H]1[C@@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000614903672 891576614 /nfs/dbraw/zinc/57/66/14/891576614.db2.gz VMCCDEMXXXWDLP-QIJUGHKUSA-N 2 2 388.515 3.711 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@@]3([NH+](C)C)CCC[C@H](C)C3)cn2c1 ZINC000497437284 891577817 /nfs/dbraw/zinc/57/78/17/891577817.db2.gz TVKYEVMJGACCSD-HRAATJIYSA-N 2 2 388.581 3.503 20 0 GHADLP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000269066213 892691386 /nfs/dbraw/zinc/69/13/86/892691386.db2.gz LLVBVVAWYSGGCN-YPCDYVTLSA-N 2 2 380.573 3.502 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508711881 892831387 /nfs/dbraw/zinc/83/13/87/892831387.db2.gz PPMLHCMFLQAKFO-QPPBQGQZSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508711881 892831407 /nfs/dbraw/zinc/83/14/07/892831407.db2.gz PPMLHCMFLQAKFO-QPPBQGQZSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508711881 892831427 /nfs/dbraw/zinc/83/14/27/892831427.db2.gz PPMLHCMFLQAKFO-QPPBQGQZSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508711881 892831446 /nfs/dbraw/zinc/83/14/46/892831446.db2.gz PPMLHCMFLQAKFO-QPPBQGQZSA-N 3 2 377.576 3.935 20 0 GHADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000288246784 913705522 /nfs/dbraw/zinc/70/55/22/913705522.db2.gz FXTMZOWNHLZKNB-DEOSSOPVSA-N 2 2 386.499 3.611 20 0 GHADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000288246784 913705531 /nfs/dbraw/zinc/70/55/31/913705531.db2.gz FXTMZOWNHLZKNB-DEOSSOPVSA-N 2 2 386.499 3.611 20 0 GHADLP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1cccnc1Cl ZINC000814639721 893031005 /nfs/dbraw/zinc/03/10/05/893031005.db2.gz BSVSKAOCHKNNJT-UHFFFAOYSA-N 2 2 398.938 3.662 20 0 GHADLP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1cccnc1Cl ZINC000814639721 893031027 /nfs/dbraw/zinc/03/10/27/893031027.db2.gz BSVSKAOCHKNNJT-UHFFFAOYSA-N 2 2 398.938 3.662 20 0 GHADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H](C)CC[P@](C)(=O)OCC ZINC000876828286 893352782 /nfs/dbraw/zinc/35/27/82/893352782.db2.gz QDKMQOFZSFXIAL-CBZJRKILSA-N 2 2 397.500 3.972 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)C2CC2)cc1 ZINC000444796305 893549370 /nfs/dbraw/zinc/54/93/70/893549370.db2.gz BBZUZLXVNPBWTP-OAQYLSRUSA-N 2 2 394.563 3.914 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)C2CC2)cc1 ZINC000444796305 893549389 /nfs/dbraw/zinc/54/93/89/893549389.db2.gz BBZUZLXVNPBWTP-OAQYLSRUSA-N 2 2 394.563 3.914 20 0 GHADLP Clc1ccc([C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)cc1 ZINC000126654493 893766221 /nfs/dbraw/zinc/76/62/21/893766221.db2.gz DFQOVXZDGKXJOP-JOCHJYFZSA-N 2 2 396.922 3.689 20 0 GHADLP C[C@H]([NH2+]Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccn(C)n2)c1)c1ccn(C)n1 ZINC000459776303 894178731 /nfs/dbraw/zinc/17/87/31/894178731.db2.gz DIBFIACSQWCKOG-GJZGRUSLSA-N 2 2 386.931 3.509 20 0 GHADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cc2c(cc1Br)OCCO2 ZINC000537077285 894301352 /nfs/dbraw/zinc/30/13/52/894301352.db2.gz LUOAQTARKLWHBX-ZIAGYGMSSA-N 2 2 383.330 3.745 20 0 GHADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cc2c(cc1Br)OCCO2 ZINC000537077285 894301368 /nfs/dbraw/zinc/30/13/68/894301368.db2.gz LUOAQTARKLWHBX-ZIAGYGMSSA-N 2 2 383.330 3.745 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000537286118 894704925 /nfs/dbraw/zinc/70/49/25/894704925.db2.gz HJHNFOKMQSYGOR-UHFFFAOYSA-N 2 2 376.504 3.572 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000537286118 894704941 /nfs/dbraw/zinc/70/49/41/894704941.db2.gz HJHNFOKMQSYGOR-UHFFFAOYSA-N 2 2 376.504 3.572 20 0 GHADLP CC[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(OC)c(OC)c1 ZINC000537456207 895026216 /nfs/dbraw/zinc/02/62/16/895026216.db2.gz SJLDBSFADNTYLP-RTBURBONSA-N 2 2 384.524 3.802 20 0 GHADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2cscc2C(F)(F)F)c2ccccc2)CC1 ZINC000564529135 895056098 /nfs/dbraw/zinc/05/60/98/895056098.db2.gz MVEMGKLZQLBNGR-SFHVURJKSA-N 2 2 383.483 3.845 20 0 GHADLP O[C@H](C[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1cccs1 ZINC000817274121 895456497 /nfs/dbraw/zinc/45/64/97/895456497.db2.gz CDGXZHXWWFSYID-NHCUHLMSSA-N 2 2 386.561 3.668 20 0 GHADLP O[C@H](C[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1cccs1 ZINC000817274121 895456501 /nfs/dbraw/zinc/45/65/01/895456501.db2.gz CDGXZHXWWFSYID-NHCUHLMSSA-N 2 2 386.561 3.668 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C(F)(F)F)nc1 ZINC000880099702 895513107 /nfs/dbraw/zinc/51/31/07/895513107.db2.gz INJSHMACJFYNHO-OAHLLOKOSA-N 2 2 379.426 3.783 20 0 GHADLP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(F)c(C[NH2+][C@H](C)c2nccnc2C)c1 ZINC000880109355 895520896 /nfs/dbraw/zinc/52/08/96/895520896.db2.gz XGXZYRUCQAREAC-IAGOWNOFSA-N 2 2 394.498 3.724 20 0 GHADLP CCC(CC)Nc1cc[nH+]cc1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000565373297 895572979 /nfs/dbraw/zinc/57/29/79/895572979.db2.gz PMBCNQYIHPIQLA-UHFFFAOYSA-N 2 2 377.492 3.530 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261073 895597541 /nfs/dbraw/zinc/59/75/41/895597541.db2.gz HQSNGCQTPNSZMQ-HUUCEWRRSA-N 2 2 392.425 3.638 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261073 895597552 /nfs/dbraw/zinc/59/75/52/895597552.db2.gz HQSNGCQTPNSZMQ-HUUCEWRRSA-N 2 2 392.425 3.638 20 0 GHADLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1N[C@@H](c1ccccc1)C(F)(F)F ZINC001170883421 895979579 /nfs/dbraw/zinc/97/95/79/895979579.db2.gz RSASDKJVRGOQSW-INIZCTEOSA-N 2 2 379.430 3.676 20 0 GHADLP O=C(Nc1cccc2c1CC[NH2+]C2)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000565998372 896038042 /nfs/dbraw/zinc/03/80/42/896038042.db2.gz GQIQDMHYHFFZKH-FGZHOGPDSA-N 2 2 387.487 3.579 20 0 GHADLP Clc1cccc([C@@H](Cc2cccnc2)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1 ZINC000566087805 896100298 /nfs/dbraw/zinc/10/02/98/896100298.db2.gz RNXQYIWLLFFTPE-OAQYLSRUSA-N 2 2 393.922 3.936 20 0 GHADLP CC(C)([NH3+])c1noc(C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)n1 ZINC000566245537 896197067 /nfs/dbraw/zinc/19/70/67/896197067.db2.gz UCXZXJJEOVBHMC-HNNXBMFYSA-N 2 2 379.302 3.657 20 0 GHADLP c1[nH+]cn2ccc(-c3noc([C@@H](c4ccccc4)[NH+]4CCSCC4)n3)cc12 ZINC000289222418 914093484 /nfs/dbraw/zinc/09/34/84/914093484.db2.gz NENJSCASRFLHEM-GOSISDBHSA-N 2 2 377.473 3.523 20 0 GHADLP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000567042641 896825481 /nfs/dbraw/zinc/82/54/81/896825481.db2.gz PIWAQMVMFUCPOM-NRFANRHFSA-N 2 2 379.504 3.584 20 0 GHADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000567735704 897368256 /nfs/dbraw/zinc/36/82/56/897368256.db2.gz QLUIQNQCENXREU-JYJNAYRXSA-N 2 2 395.366 3.578 20 0 GHADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000567735704 897368264 /nfs/dbraw/zinc/36/82/64/897368264.db2.gz QLUIQNQCENXREU-JYJNAYRXSA-N 2 2 395.366 3.578 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC000883279133 897436234 /nfs/dbraw/zinc/43/62/34/897436234.db2.gz JRBHKCYHQVRSPS-IEBWSBKVSA-N 2 2 390.572 3.575 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC000883279133 897436237 /nfs/dbraw/zinc/43/62/37/897436237.db2.gz JRBHKCYHQVRSPS-IEBWSBKVSA-N 2 2 390.572 3.575 20 0 GHADLP COCC[NH2+]C1CC[NH+](Cc2cc(OC)c(OC)cc2-c2ccccc2)CC1 ZINC000567903021 897478962 /nfs/dbraw/zinc/47/89/62/897478962.db2.gz FJEVZRAGENDWHG-UHFFFAOYSA-N 2 2 384.520 3.571 20 0 GHADLP COc1cc2c(cc1OC)[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)CCCC2 ZINC000883347151 897517701 /nfs/dbraw/zinc/51/77/01/897517701.db2.gz NBJFGGLGBDBZBQ-QGZVFWFLSA-N 2 2 375.538 3.779 20 0 GHADLP O=C([C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)N1CC[NH+](CCc2cccs2)CC1 ZINC001136403892 897687817 /nfs/dbraw/zinc/68/78/17/897687817.db2.gz IEKPENRUTNZZNK-KDURUIRLSA-N 2 2 398.576 3.501 20 0 GHADLP Cc1cccc2ncc(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)n21 ZINC001137196475 897898834 /nfs/dbraw/zinc/89/88/34/897898834.db2.gz HVTKIYDVOAQWEA-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2ncc(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)n21 ZINC001137196475 897898837 /nfs/dbraw/zinc/89/88/37/897898837.db2.gz HVTKIYDVOAQWEA-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2ncc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)n21 ZINC001137196475 897898841 /nfs/dbraw/zinc/89/88/41/897898841.db2.gz HVTKIYDVOAQWEA-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2ncc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)n21 ZINC001137196475 897898847 /nfs/dbraw/zinc/89/88/47/897898847.db2.gz HVTKIYDVOAQWEA-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N([C@H](C)C3CC3)C3CC3)C2)s1 ZINC000568563968 897937524 /nfs/dbraw/zinc/93/75/24/897937524.db2.gz JABSABIBZHDJBB-MSOLQXFVSA-N 2 2 389.609 3.600 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N([C@H](C)C3CC3)C3CC3)C2)s1 ZINC000568563968 897937536 /nfs/dbraw/zinc/93/75/36/897937536.db2.gz JABSABIBZHDJBB-MSOLQXFVSA-N 2 2 389.609 3.600 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N([C@H](C)C3CC3)C3CC3)C2)s1 ZINC000568563968 897937546 /nfs/dbraw/zinc/93/75/46/897937546.db2.gz JABSABIBZHDJBB-MSOLQXFVSA-N 2 2 389.609 3.600 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N([C@H](C)C3CC3)C3CC3)C2)s1 ZINC000568563968 897937557 /nfs/dbraw/zinc/93/75/57/897937557.db2.gz JABSABIBZHDJBB-MSOLQXFVSA-N 2 2 389.609 3.600 20 0 GHADLP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC001136490342 898061821 /nfs/dbraw/zinc/06/18/21/898061821.db2.gz ZWKGMBQNPQNPCV-NHCUHLMSSA-N 2 2 395.547 3.872 20 0 GHADLP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC001136490342 898061826 /nfs/dbraw/zinc/06/18/26/898061826.db2.gz ZWKGMBQNPQNPCV-NHCUHLMSSA-N 2 2 395.547 3.872 20 0 GHADLP CC(C)[NH2+]CCC[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000568748572 898080370 /nfs/dbraw/zinc/08/03/70/898080370.db2.gz GBJCTMCLCGFTEL-FQEVSTJZSA-N 2 2 394.968 3.811 20 0 GHADLP Fc1cccc2c1C[C@H]([NH+]1CCC3(CC1)C[N@H+](Cc1ccoc1)CCO3)CC2 ZINC001170990821 898470513 /nfs/dbraw/zinc/47/05/13/898470513.db2.gz PGWIPVFDGABTJA-HXUWFJFHSA-N 2 2 384.495 3.643 20 0 GHADLP Fc1cccc2c1C[C@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccoc1)CCO3)CC2 ZINC001170990821 898470518 /nfs/dbraw/zinc/47/05/18/898470518.db2.gz PGWIPVFDGABTJA-HXUWFJFHSA-N 2 2 384.495 3.643 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109794477 898594540 /nfs/dbraw/zinc/59/45/40/898594540.db2.gz XJXOXXURAQNSOF-JOCHJYFZSA-N 2 2 390.487 3.909 20 0 GHADLP O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cccc2[nH+]ccn21 ZINC001136633494 898652490 /nfs/dbraw/zinc/65/24/90/898652490.db2.gz OZTJPKDQCSTCPZ-UHFFFAOYSA-N 2 2 390.531 3.799 20 0 GHADLP CC[NH+](CC)CCOc1ccc(-c2noc([C@H]3Cc4ccccc4C[NH2+]3)n2)cc1 ZINC000822920432 898723414 /nfs/dbraw/zinc/72/34/14/898723414.db2.gz VYCNKBMLNUTKHH-OAQYLSRUSA-N 2 2 392.503 3.844 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N(C)C3CCCCC3)C2)s1 ZINC000569563227 898787475 /nfs/dbraw/zinc/78/74/75/898787475.db2.gz JDQUXCMPCPSFIJ-GOSISDBHSA-N 2 2 377.598 3.601 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N(C)C3CCCCC3)C2)s1 ZINC000569563227 898787488 /nfs/dbraw/zinc/78/74/88/898787488.db2.gz JDQUXCMPCPSFIJ-GOSISDBHSA-N 2 2 377.598 3.601 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N(C)C3CCCCC3)C2)s1 ZINC000569563227 898787494 /nfs/dbraw/zinc/78/74/94/898787494.db2.gz JDQUXCMPCPSFIJ-GOSISDBHSA-N 2 2 377.598 3.601 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N(C)C3CCCCC3)C2)s1 ZINC000569563227 898787507 /nfs/dbraw/zinc/78/75/07/898787507.db2.gz JDQUXCMPCPSFIJ-GOSISDBHSA-N 2 2 377.598 3.601 20 0 GHADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000569769627 898940513 /nfs/dbraw/zinc/94/05/13/898940513.db2.gz NTGZWGZNETXWKA-VQIMIIECSA-N 2 2 378.442 3.807 20 0 GHADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000569769627 898940522 /nfs/dbraw/zinc/94/05/22/898940522.db2.gz NTGZWGZNETXWKA-VQIMIIECSA-N 2 2 378.442 3.807 20 0 GHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000569769627 898940536 /nfs/dbraw/zinc/94/05/36/898940536.db2.gz NTGZWGZNETXWKA-VQIMIIECSA-N 2 2 378.442 3.807 20 0 GHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000569769627 898940549 /nfs/dbraw/zinc/94/05/49/898940549.db2.gz NTGZWGZNETXWKA-VQIMIIECSA-N 2 2 378.442 3.807 20 0 GHADLP C[C@@H]1C[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCN1C(=O)OC(C)(C)C ZINC000823654306 899163760 /nfs/dbraw/zinc/16/37/60/899163760.db2.gz UCDWHRIDORXYKQ-QZTJIDSGSA-N 2 2 388.556 3.676 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1Cl ZINC000824546388 899702908 /nfs/dbraw/zinc/70/29/08/899702908.db2.gz IIJXNMVEPUBWLC-OAHLLOKOSA-N 2 2 396.926 3.835 20 0 GHADLP CN(C)C(=O)[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000572212472 900104518 /nfs/dbraw/zinc/10/45/18/900104518.db2.gz HAHWVASMHCHVIO-JTHBVZDNSA-N 2 2 379.548 3.708 20 0 GHADLP CN(C)C(=O)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000572212472 900104525 /nfs/dbraw/zinc/10/45/25/900104525.db2.gz HAHWVASMHCHVIO-JTHBVZDNSA-N 2 2 379.548 3.708 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)c1cccc(OC)c1 ZINC000573143344 900390547 /nfs/dbraw/zinc/39/05/47/900390547.db2.gz FWBZXHWMSRGHAN-IBGZPJMESA-N 2 2 381.480 3.548 20 0 GHADLP C[N@H+](CC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1)Cc1ccccc1 ZINC001144050435 900977194 /nfs/dbraw/zinc/97/71/94/900977194.db2.gz TWKFDOABYYLNHD-JOCHJYFZSA-N 2 2 399.966 3.943 20 0 GHADLP C[N@@H+](CC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1)Cc1ccccc1 ZINC001144050435 900977201 /nfs/dbraw/zinc/97/72/01/900977201.db2.gz TWKFDOABYYLNHD-JOCHJYFZSA-N 2 2 399.966 3.943 20 0 GHADLP C[NH+](CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)Cc1ccccc1 ZINC001144050435 900977207 /nfs/dbraw/zinc/97/72/07/900977207.db2.gz TWKFDOABYYLNHD-JOCHJYFZSA-N 2 2 399.966 3.943 20 0 GHADLP C[NH+](CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)Cc1ccccc1 ZINC001144050435 900977216 /nfs/dbraw/zinc/97/72/16/900977216.db2.gz TWKFDOABYYLNHD-JOCHJYFZSA-N 2 2 399.966 3.943 20 0 GHADLP Cc1[nH]c(-c2ccc(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)cc2)[nH+]c1C ZINC000886431752 901008236 /nfs/dbraw/zinc/00/82/36/901008236.db2.gz FXTAKUHYYNYEOT-UHFFFAOYSA-N 2 2 384.505 3.556 20 0 GHADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(-c2ccc(OC)c(OC)c2)s1 ZINC001144070377 901018509 /nfs/dbraw/zinc/01/85/09/901018509.db2.gz JCNFDGBQGCJPRY-UHFFFAOYSA-N 2 2 377.554 3.991 20 0 GHADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(-c2ccc(OC)c(OC)c2)s1 ZINC001144070377 901018516 /nfs/dbraw/zinc/01/85/16/901018516.db2.gz JCNFDGBQGCJPRY-UHFFFAOYSA-N 2 2 377.554 3.991 20 0 GHADLP COC(=O)c1cncc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000886553697 901153862 /nfs/dbraw/zinc/15/38/62/901153862.db2.gz SYZKGKYEOGVANI-LAUBAEHRSA-N 2 2 378.476 3.774 20 0 GHADLP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc4ncccc43)CC2)[nH+]c1C ZINC000886664237 901213260 /nfs/dbraw/zinc/21/32/60/901213260.db2.gz GVCVGNBKGZTKIL-INIZCTEOSA-N 2 2 377.492 3.781 20 0 GHADLP CSc1ccc(CN(C)C(=O)C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cc1 ZINC000886669966 901217288 /nfs/dbraw/zinc/21/72/88/901217288.db2.gz HKCIJPFVKZFNMX-UHFFFAOYSA-N 2 2 386.565 3.586 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1n[nH]c3ccc(F)cc31)CC2 ZINC001144195581 901234502 /nfs/dbraw/zinc/23/45/02/901234502.db2.gz VWKIDWBAEJWTRT-QGZVFWFLSA-N 2 2 398.482 3.551 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1n[nH]c3ccc(F)cc31)CC2 ZINC001144195581 901234518 /nfs/dbraw/zinc/23/45/18/901234518.db2.gz VWKIDWBAEJWTRT-QGZVFWFLSA-N 2 2 398.482 3.551 20 0 GHADLP COc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1OCc1ccncc1 ZINC000092648440 901504054 /nfs/dbraw/zinc/50/40/54/901504054.db2.gz JVOYQLBUCWZKMM-UHFFFAOYSA-N 2 2 378.476 3.703 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)c2C)cc1 ZINC000576028709 901604304 /nfs/dbraw/zinc/60/43/04/901604304.db2.gz QVXZXUUCUADRPH-WCRBZPEASA-N 2 2 382.552 3.614 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)c2C)cc1 ZINC000576028709 901604312 /nfs/dbraw/zinc/60/43/12/901604312.db2.gz QVXZXUUCUADRPH-WCRBZPEASA-N 2 2 382.552 3.614 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2C)cc1 ZINC000576028709 901604318 /nfs/dbraw/zinc/60/43/18/901604318.db2.gz QVXZXUUCUADRPH-WCRBZPEASA-N 2 2 382.552 3.614 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2C)cc1 ZINC000576028709 901604325 /nfs/dbraw/zinc/60/43/25/901604325.db2.gz QVXZXUUCUADRPH-WCRBZPEASA-N 2 2 382.552 3.614 20 0 GHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000290181936 914562548 /nfs/dbraw/zinc/56/25/48/914562548.db2.gz ZFTVVBBIFVBVKV-OAHLLOKOSA-N 2 2 386.483 3.511 20 0 GHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000290181936 914562554 /nfs/dbraw/zinc/56/25/54/914562554.db2.gz ZFTVVBBIFVBVKV-OAHLLOKOSA-N 2 2 386.483 3.511 20 0 GHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000290181936 914562564 /nfs/dbraw/zinc/56/25/64/914562564.db2.gz ZFTVVBBIFVBVKV-OAHLLOKOSA-N 2 2 386.483 3.511 20 0 GHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000290181936 914562576 /nfs/dbraw/zinc/56/25/76/914562576.db2.gz ZFTVVBBIFVBVKV-OAHLLOKOSA-N 2 2 386.483 3.511 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc(OC)c1OCc1ccccc1 ZINC000576391384 901994678 /nfs/dbraw/zinc/99/46/78/901994678.db2.gz WIRUSPOFNQVSGM-GOSISDBHSA-N 2 2 393.487 3.653 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(Cl)cc(OC)c1)C2 ZINC001144485252 902251771 /nfs/dbraw/zinc/25/17/71/902251771.db2.gz ZEYZRFUROBZKAK-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(Cl)cc(OC)c1)C2 ZINC001144485252 902251778 /nfs/dbraw/zinc/25/17/78/902251778.db2.gz ZEYZRFUROBZKAK-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(Cl)cc(OC)c1)C2 ZINC001144485252 902251779 /nfs/dbraw/zinc/25/17/79/902251779.db2.gz ZEYZRFUROBZKAK-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(Cl)cc(OC)c1)C2 ZINC001144485252 902251787 /nfs/dbraw/zinc/25/17/87/902251787.db2.gz ZEYZRFUROBZKAK-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2F)[C@H](C)C1 ZINC000846060489 902674114 /nfs/dbraw/zinc/67/41/14/902674114.db2.gz NLXZVTJOPXPOES-DNVCBOLYSA-N 2 2 379.520 3.670 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2F)[C@H](C)C1 ZINC000846060489 902674118 /nfs/dbraw/zinc/67/41/18/902674118.db2.gz NLXZVTJOPXPOES-DNVCBOLYSA-N 2 2 379.520 3.670 20 0 GHADLP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000779007594 902726491 /nfs/dbraw/zinc/72/64/91/902726491.db2.gz GUDSKDFLUBYZLH-PXNSSMCTSA-N 2 2 384.524 3.667 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(F)cc3SC)CC2)CC1 ZINC000646546029 914653845 /nfs/dbraw/zinc/65/38/45/914653845.db2.gz CSJNLJWDRUVNID-UHFFFAOYSA-N 2 2 394.560 3.572 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(F)cc3SC)CC2)CC1 ZINC000646546029 914653847 /nfs/dbraw/zinc/65/38/47/914653847.db2.gz CSJNLJWDRUVNID-UHFFFAOYSA-N 2 2 394.560 3.572 20 0 GHADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)c[nH+]1 ZINC000577427675 902762849 /nfs/dbraw/zinc/76/28/49/902762849.db2.gz NHLAHFHPBMMNRO-HSZRJFAPSA-N 2 2 377.488 3.779 20 0 GHADLP Fc1cccc(F)c1-c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)o1 ZINC000130374883 902948405 /nfs/dbraw/zinc/94/84/05/902948405.db2.gz MPJJUJDWVRDXPQ-OAHLLOKOSA-N 2 2 376.447 3.815 20 0 GHADLP CC(=O)C1CC[NH+](Cc2cc(Cl)cc(C[NH+]3CCC(C(C)=O)CC3)c2)CC1 ZINC000846938889 903319892 /nfs/dbraw/zinc/31/98/92/903319892.db2.gz BDGGSVOJGXSVQT-UHFFFAOYSA-N 2 2 390.955 3.942 20 0 GHADLP Cc1c(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)sc2nc(C)nc(C)c12 ZINC000772963722 903449434 /nfs/dbraw/zinc/44/94/34/903449434.db2.gz GPDAGHJRJPEOAH-QGZVFWFLSA-N 2 2 396.564 3.764 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)C1 ZINC001171280778 903578772 /nfs/dbraw/zinc/57/87/72/903578772.db2.gz BYZGYRWDMCNXGY-IUPYZPJSSA-N 2 2 391.515 3.679 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)C1 ZINC001171280778 903578780 /nfs/dbraw/zinc/57/87/80/903578780.db2.gz BYZGYRWDMCNXGY-IUPYZPJSSA-N 2 2 391.515 3.679 20 0 GHADLP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000578178156 903590209 /nfs/dbraw/zinc/59/02/09/903590209.db2.gz DNMBSNVPVIGTMA-MOPGFXCFSA-N 2 2 381.520 3.808 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000265468041 903910177 /nfs/dbraw/zinc/91/01/77/903910177.db2.gz HIXYISLJYNKEIH-HXUWFJFHSA-N 2 2 398.507 3.696 20 0 GHADLP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2c(F)cccc2F)CC1)CC(C)C ZINC000578563265 903966030 /nfs/dbraw/zinc/96/60/30/903966030.db2.gz RXMZATYLGPMHHN-UHFFFAOYSA-N 2 2 381.511 3.983 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2c(F)cccc2F)CC1)CC(C)C ZINC000578563265 903966040 /nfs/dbraw/zinc/96/60/40/903966040.db2.gz RXMZATYLGPMHHN-UHFFFAOYSA-N 2 2 381.511 3.983 20 0 GHADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3c(Cl)ccc(OC)c3C2)CC1 ZINC001171320778 903988534 /nfs/dbraw/zinc/98/85/34/903988534.db2.gz LOKBAVBNQLDNMC-MSOLQXFVSA-N 2 2 392.971 3.781 20 0 GHADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3c(Cl)ccc(OC)c3C2)CC1 ZINC001171320778 903988544 /nfs/dbraw/zinc/98/85/44/903988544.db2.gz LOKBAVBNQLDNMC-MSOLQXFVSA-N 2 2 392.971 3.781 20 0 GHADLP COc1ccc(Cl)c2c1C[C@@H]([NH+]1CCC([NH+]3CCC(OC)CC3)CC1)CC2 ZINC001171326232 904015220 /nfs/dbraw/zinc/01/52/20/904015220.db2.gz LNJDHGMJMUAREC-KRWDZBQOSA-N 2 2 392.971 3.781 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)cc1 ZINC000578837101 904164888 /nfs/dbraw/zinc/16/48/88/904164888.db2.gz PTZMFFYSEXCHDQ-XPWALMASSA-N 2 2 397.563 3.547 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000579491007 904648271 /nfs/dbraw/zinc/64/82/71/904648271.db2.gz OEJWXDVNBNLQRR-UHFFFAOYSA-N 2 2 390.491 3.587 20 0 GHADLP [NH3+]C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)cc2C1)c1ccc(Br)cc1 ZINC001171461082 904722606 /nfs/dbraw/zinc/72/26/06/904722606.db2.gz VSPFWNUTHRGISK-YJBOKZPZSA-N 2 2 381.264 3.874 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171469928 904744971 /nfs/dbraw/zinc/74/49/71/904744971.db2.gz ABPDOBHFUOMBAL-AJSBUHFISA-N 2 2 386.486 3.701 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171469928 904744982 /nfs/dbraw/zinc/74/49/82/904744982.db2.gz ABPDOBHFUOMBAL-AJSBUHFISA-N 2 2 386.486 3.701 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171481710 904754094 /nfs/dbraw/zinc/75/40/94/904754094.db2.gz IHZDUXKXAADLIX-UGKGYDQZSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171481710 904754105 /nfs/dbraw/zinc/75/41/05/904754105.db2.gz IHZDUXKXAADLIX-UGKGYDQZSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171481710 904754110 /nfs/dbraw/zinc/75/41/10/904754110.db2.gz IHZDUXKXAADLIX-UGKGYDQZSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171481710 904754123 /nfs/dbraw/zinc/75/41/23/904754123.db2.gz IHZDUXKXAADLIX-UGKGYDQZSA-N 2 2 378.507 3.645 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c(Br)c1 ZINC001171625292 904888897 /nfs/dbraw/zinc/88/88/97/904888897.db2.gz GGRPANCKLLJGBJ-UHFFFAOYSA-N 2 2 397.357 3.977 20 0 GHADLP C[C@@H]1C[C@H](N2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC001171767735 905006653 /nfs/dbraw/zinc/00/66/53/905006653.db2.gz PGQBTQMTMFJMPN-HLAWJBBLSA-N 2 2 377.523 3.845 20 0 GHADLP C[C@@H]1C[C@H](N2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC001171767735 905006669 /nfs/dbraw/zinc/00/66/69/905006669.db2.gz PGQBTQMTMFJMPN-HLAWJBBLSA-N 2 2 377.523 3.845 20 0 GHADLP CC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171825024 905039163 /nfs/dbraw/zinc/03/91/63/905039163.db2.gz LCHCAVMDUFBETH-OBKDMQGPSA-N 2 2 379.589 3.969 20 0 GHADLP CC[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171825024 905039183 /nfs/dbraw/zinc/03/91/83/905039183.db2.gz LCHCAVMDUFBETH-OBKDMQGPSA-N 2 2 379.589 3.969 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171825024 905039199 /nfs/dbraw/zinc/03/91/99/905039199.db2.gz LCHCAVMDUFBETH-OBKDMQGPSA-N 2 2 379.589 3.969 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171825024 905039216 /nfs/dbraw/zinc/03/92/16/905039216.db2.gz LCHCAVMDUFBETH-OBKDMQGPSA-N 2 2 379.589 3.969 20 0 GHADLP CC(C)(C)OC(=O)C1CCC([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)CC1 ZINC001171916984 905146779 /nfs/dbraw/zinc/14/67/79/905146779.db2.gz JDYSTPPFYNALMQ-UHFFFAOYSA-N 2 2 388.552 3.847 20 0 GHADLP Cc1ccc2c(C[N@@H+](C)C3CC[NH+](CCc4ccccn4)CC3)cc(=O)oc2c1 ZINC000174655585 905316963 /nfs/dbraw/zinc/31/69/63/905316963.db2.gz ULXRZPQFSQJOLK-UHFFFAOYSA-N 2 2 391.515 3.635 20 0 GHADLP Cc1ccc2c(C[N@H+](C)C3CC[NH+](CCc4ccccn4)CC3)cc(=O)oc2c1 ZINC000174655585 905316979 /nfs/dbraw/zinc/31/69/79/905316979.db2.gz ULXRZPQFSQJOLK-UHFFFAOYSA-N 2 2 391.515 3.635 20 0 GHADLP COC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccnc1 ZINC001172066933 905334643 /nfs/dbraw/zinc/33/46/43/905334643.db2.gz BVZDYIPFOZRMTK-KAOXLYBCSA-N 2 2 393.531 3.861 20 0 GHADLP COC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccnc1 ZINC001172066933 905334659 /nfs/dbraw/zinc/33/46/59/905334659.db2.gz BVZDYIPFOZRMTK-KAOXLYBCSA-N 2 2 393.531 3.861 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1 ZINC001172068633 905339037 /nfs/dbraw/zinc/33/90/37/905339037.db2.gz VQVYLGYBIYQUCD-KOUNCHBCSA-N 2 2 379.504 3.544 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1 ZINC001172068633 905339060 /nfs/dbraw/zinc/33/90/60/905339060.db2.gz VQVYLGYBIYQUCD-KOUNCHBCSA-N 2 2 379.504 3.544 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(Cc3ccc(Br)cc3)CC1)C2 ZINC001172122425 905383939 /nfs/dbraw/zinc/38/39/39/905383939.db2.gz QDUORMSEMPCYMC-PMOLBWCYSA-N 2 2 392.385 3.582 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(Cc3ccc(Br)cc3)CC1)C2 ZINC001172122425 905383956 /nfs/dbraw/zinc/38/39/56/905383956.db2.gz QDUORMSEMPCYMC-PMOLBWCYSA-N 2 2 392.385 3.582 20 0 GHADLP COCCC[NH+]1CCC([NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC001172247401 905445714 /nfs/dbraw/zinc/44/57/14/905445714.db2.gz IYFQQTNUDRURLK-UHFFFAOYSA-N 2 2 375.738 3.693 20 0 GHADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172529348 905591149 /nfs/dbraw/zinc/59/11/49/905591149.db2.gz XRWXDXONVBIUMP-QNWVGRARSA-N 2 2 383.580 3.734 20 0 GHADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172529348 905591160 /nfs/dbraw/zinc/59/11/60/905591160.db2.gz XRWXDXONVBIUMP-QNWVGRARSA-N 2 2 383.580 3.734 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172584702 905684609 /nfs/dbraw/zinc/68/46/09/905684609.db2.gz OVUMJLCOBWMOIE-AOIWGVFYSA-N 2 2 377.504 3.608 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CC[C@@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172584702 905684614 /nfs/dbraw/zinc/68/46/14/905684614.db2.gz OVUMJLCOBWMOIE-AOIWGVFYSA-N 2 2 377.504 3.608 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@H]3Cc4ccc(Cl)cc4C3)CC2)C1 ZINC001172715514 905762386 /nfs/dbraw/zinc/76/23/86/905762386.db2.gz WCOLBNMKECLURG-UWJYYQICSA-N 2 2 390.955 3.547 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H]3Cc4ccc(Cl)cc4C3)CC2)C1 ZINC001172715514 905762394 /nfs/dbraw/zinc/76/23/94/905762394.db2.gz WCOLBNMKECLURG-UWJYYQICSA-N 2 2 390.955 3.547 20 0 GHADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172851236 905906839 /nfs/dbraw/zinc/90/68/39/905906839.db2.gz PPKRHRRYBDWHRB-NXHRZFHOSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172851236 905906849 /nfs/dbraw/zinc/90/68/49/905906849.db2.gz PPKRHRRYBDWHRB-NXHRZFHOSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@H](Cc1c(F)cccc1Cl)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172851236 905906860 /nfs/dbraw/zinc/90/68/60/905906860.db2.gz PPKRHRRYBDWHRB-NXHRZFHOSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@H](Cc1c(F)cccc1Cl)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172851236 905906866 /nfs/dbraw/zinc/90/68/66/905906866.db2.gz PPKRHRRYBDWHRB-NXHRZFHOSA-N 2 2 390.934 3.598 20 0 GHADLP CC[NH+]1CCN(Cc2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc2)CC1 ZINC001212696982 906088766 /nfs/dbraw/zinc/08/87/66/906088766.db2.gz YPGKQIMUWIEWOM-UHFFFAOYSA-N 2 2 375.520 3.813 20 0 GHADLP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001173110280 906196568 /nfs/dbraw/zinc/19/65/68/906196568.db2.gz JGQYBYTWXZCSBT-OAHAVBBTSA-N 3 2 376.614 3.692 20 0 GHADLP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001173110280 906196576 /nfs/dbraw/zinc/19/65/76/906196576.db2.gz JGQYBYTWXZCSBT-OAHAVBBTSA-N 3 2 376.614 3.692 20 0 GHADLP CC[NH+](CC)C1CCC([NH+]2CC[C@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)CC1 ZINC001173110280 906196581 /nfs/dbraw/zinc/19/65/81/906196581.db2.gz JGQYBYTWXZCSBT-OAHAVBBTSA-N 3 2 376.614 3.692 20 0 GHADLP CC[NH+](CC)C1CCC([NH+]2CC[C@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001173110280 906196592 /nfs/dbraw/zinc/19/65/92/906196592.db2.gz JGQYBYTWXZCSBT-OAHAVBBTSA-N 3 2 376.614 3.692 20 0 GHADLP C[NH+]1CCN(c2cccc(Nc3cc(Br)c4[nH+]ccn4c3)c2)CC1 ZINC001212711597 906278922 /nfs/dbraw/zinc/27/89/22/906278922.db2.gz INEVBYJLWQFKFH-UHFFFAOYSA-N 2 2 386.297 3.592 20 0 GHADLP C[C@H](CC(c1ccccc1)c1ccccc1)n1c[nH+]cc1CCNC(=O)CC[NH3+] ZINC001173208240 906325806 /nfs/dbraw/zinc/32/58/06/906325806.db2.gz BVYUOHQANVGHIO-LJQANCHMSA-N 2 2 390.531 3.674 20 0 GHADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@H+]([C@@H]1CCCC3(CCCCC3)C1)C2 ZINC001173342011 906381441 /nfs/dbraw/zinc/38/14/41/906381441.db2.gz ABVJMLPVRXYTBV-HXUWFJFHSA-N 2 2 395.551 3.587 20 0 GHADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@@H+]([C@@H]1CCCC3(CCCCC3)C1)C2 ZINC001173342011 906381449 /nfs/dbraw/zinc/38/14/49/906381449.db2.gz ABVJMLPVRXYTBV-HXUWFJFHSA-N 2 2 395.551 3.587 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)cc1 ZINC001173717207 906667588 /nfs/dbraw/zinc/66/75/88/906667588.db2.gz NRPHQVALFIENIB-XXBNENTESA-N 2 2 380.532 3.701 20 0 GHADLP O=S(=O)(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000180117256 906693618 /nfs/dbraw/zinc/69/36/18/906693618.db2.gz GRCJVTXSZTXFON-FRIKZZABSA-N 2 2 398.572 3.636 20 0 GHADLP O=S(=O)(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000180117256 906693627 /nfs/dbraw/zinc/69/36/27/906693627.db2.gz GRCJVTXSZTXFON-FRIKZZABSA-N 2 2 398.572 3.636 20 0 GHADLP O=C(c1ccc(F)c(Cl)c1)N1CCC([NH2+]Cc2ccc3[nH+]ccn3c2)CC1 ZINC001173777899 906703380 /nfs/dbraw/zinc/70/33/80/906703380.db2.gz OTGPQKYUFDVFKR-UHFFFAOYSA-N 2 2 386.858 3.521 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2c(C)nn(C)c2Cl)CC1 ZINC000181632187 907043220 /nfs/dbraw/zinc/04/32/20/907043220.db2.gz DXCAGVULPWOWDK-CQSZACIVSA-N 2 2 393.938 3.514 20 0 GHADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C12CCC2 ZINC001174572741 907090329 /nfs/dbraw/zinc/09/03/29/907090329.db2.gz AUZQBQMOJBCNFS-YADHBBJMSA-N 2 2 385.596 3.915 20 0 GHADLP C[C@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185671740 907810693 /nfs/dbraw/zinc/81/06/93/907810693.db2.gz AXLPZEZKDGPHSC-JKSUJKDBSA-N 2 2 386.565 3.502 20 0 GHADLP C[C@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185671740 907810798 /nfs/dbraw/zinc/81/07/98/907810798.db2.gz AXLPZEZKDGPHSC-JKSUJKDBSA-N 2 2 386.565 3.502 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl)CCC2 ZINC000366208198 921378147 /nfs/dbraw/zinc/37/81/47/921378147.db2.gz GZAGMQVYXXKWDP-WBVHZDCISA-N 2 2 388.943 3.749 20 0 GHADLP Fc1cccc(Oc2ncccc2C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC001177272871 908510373 /nfs/dbraw/zinc/51/03/73/908510373.db2.gz ZFEYZVXLLQIUJG-UHFFFAOYSA-N 2 2 375.407 3.884 20 0 GHADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3c(C)nn(C(C)(C)C)c3nc2Cl)C1 ZINC001177483244 908594181 /nfs/dbraw/zinc/59/41/81/908594181.db2.gz KFXGKEFRFVRQDZ-HNNXBMFYSA-N 2 2 377.964 3.970 20 0 GHADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3c(C)nn(C(C)(C)C)c3nc2Cl)C1 ZINC001177483244 908594195 /nfs/dbraw/zinc/59/41/95/908594195.db2.gz KFXGKEFRFVRQDZ-HNNXBMFYSA-N 2 2 377.964 3.970 20 0 GHADLP CCc1noc(C2CCC([NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)n1 ZINC000191832533 908682298 /nfs/dbraw/zinc/68/22/98/908682298.db2.gz OMYZOBHFUBFMAA-CBNMVNINSA-N 2 2 398.551 3.539 20 0 GHADLP CCc1noc(C2CCC([NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)n1 ZINC000191832533 908682314 /nfs/dbraw/zinc/68/23/14/908682314.db2.gz OMYZOBHFUBFMAA-CBNMVNINSA-N 2 2 398.551 3.539 20 0 GHADLP Cc1cccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1Br ZINC001178232270 908969116 /nfs/dbraw/zinc/96/91/16/908969116.db2.gz OSBIBWRTYXMIKN-QGZVFWFLSA-N 2 2 389.341 3.905 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000635356013 909220909 /nfs/dbraw/zinc/22/09/09/909220909.db2.gz MTPIAVFPLFASJG-QGZVFWFLSA-N 2 2 382.430 3.535 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(OCC[NH+](C)C)c1 ZINC000268762763 910003605 /nfs/dbraw/zinc/00/36/05/910003605.db2.gz MIOBZGKYBIQKCU-LJQANCHMSA-N 3 2 378.520 3.723 20 0 GHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268811764 910028504 /nfs/dbraw/zinc/02/85/04/910028504.db2.gz DJRXIQHBCXQRLS-AWEZNQCLSA-N 2 2 383.464 3.621 20 0 GHADLP Cc1nccn1-c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000268826374 910034527 /nfs/dbraw/zinc/03/45/27/910034527.db2.gz ZEYCBFWEHUTMST-GCJKJVERSA-N 2 2 375.520 3.576 20 0 GHADLP Cc1nccn1-c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000268826374 910034540 /nfs/dbraw/zinc/03/45/40/910034540.db2.gz ZEYCBFWEHUTMST-GCJKJVERSA-N 2 2 375.520 3.576 20 0 GHADLP CC[N@H+]([C@@H](C)C(C)(C)n1cncn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000638075754 910046218 /nfs/dbraw/zinc/04/62/18/910046218.db2.gz HOPOBFYYHDSLSC-SFHVURJKSA-N 2 2 399.587 3.614 20 0 GHADLP CC[N@@H+]([C@@H](C)C(C)(C)n1cncn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000638075754 910046234 /nfs/dbraw/zinc/04/62/34/910046234.db2.gz HOPOBFYYHDSLSC-SFHVURJKSA-N 2 2 399.587 3.614 20 0 GHADLP CN1CC[C@H]([NH2+]CCCCn2cc[nH+]c2)C[C@@H]1c1ccc(Br)cc1 ZINC000638404615 910148713 /nfs/dbraw/zinc/14/87/13/910148713.db2.gz HLXROECNCHXOQT-RBUKOAKNSA-N 2 2 391.357 3.851 20 0 GHADLP Cn1c2ccccc2cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1=O ZINC000639201591 910349125 /nfs/dbraw/zinc/34/91/25/910349125.db2.gz XAPMBOBYEDMRES-ZJSXRUAMSA-N 2 2 387.527 3.996 20 0 GHADLP Cn1c2ccccc2cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1=O ZINC000639201591 910349133 /nfs/dbraw/zinc/34/91/33/910349133.db2.gz XAPMBOBYEDMRES-ZJSXRUAMSA-N 2 2 387.527 3.996 20 0 GHADLP CC(C)(C)[NH+]1CCC(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000270170218 910467774 /nfs/dbraw/zinc/46/77/74/910467774.db2.gz BMCYAASJLHWFQM-UHFFFAOYSA-N 2 2 393.535 3.986 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)N3CCC([NH+]4CCCCC4)CC3)ccc21 ZINC000640172779 910883048 /nfs/dbraw/zinc/88/30/48/910883048.db2.gz HCWDRKUTKQVBPS-UHFFFAOYSA-N 2 2 381.524 3.783 20 0 GHADLP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)C2)cc1 ZINC000247083993 910957168 /nfs/dbraw/zinc/95/71/68/910957168.db2.gz NQRZUBHSFIHUHG-SFLYRZDNSA-N 2 2 378.564 3.859 20 0 GHADLP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)C2)cc1 ZINC000247083993 910957179 /nfs/dbraw/zinc/95/71/79/910957179.db2.gz NQRZUBHSFIHUHG-SFLYRZDNSA-N 2 2 378.564 3.859 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)CC1 ZINC000642529521 912139916 /nfs/dbraw/zinc/13/99/16/912139916.db2.gz XPATUNMSVPAGET-RXVVDRJESA-N 2 2 383.561 3.790 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccsc2)CC1 ZINC000642529521 912139919 /nfs/dbraw/zinc/13/99/19/912139919.db2.gz XPATUNMSVPAGET-RXVVDRJESA-N 2 2 383.561 3.790 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000642585964 912193069 /nfs/dbraw/zinc/19/30/69/912193069.db2.gz YBIHAGKHGLZXDC-QHCPKHFHSA-N 2 2 390.531 3.614 20 0 GHADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)CC[C@@H]21 ZINC000291494065 915214192 /nfs/dbraw/zinc/21/41/92/915214192.db2.gz MUJCXZYHNRWVME-NQIIRXRSSA-N 2 2 393.535 3.834 20 0 GHADLP C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)CC[C@@H]21 ZINC000291494065 915214206 /nfs/dbraw/zinc/21/42/06/915214206.db2.gz MUJCXZYHNRWVME-NQIIRXRSSA-N 2 2 393.535 3.834 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(Cl)cc1Cl ZINC000647899414 915431115 /nfs/dbraw/zinc/43/11/15/915431115.db2.gz JQHQXVHYSBBZAW-IYOUNJFTSA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(Cl)cc1Cl ZINC000647899414 915431122 /nfs/dbraw/zinc/43/11/22/915431122.db2.gz JQHQXVHYSBBZAW-IYOUNJFTSA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc(Cl)c(Cl)c1 ZINC000647899318 915431190 /nfs/dbraw/zinc/43/11/90/915431190.db2.gz GLCSWABLHOGUGW-DHSIGJKJSA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc(Cl)c(Cl)c1 ZINC000647899318 915431194 /nfs/dbraw/zinc/43/11/94/915431194.db2.gz GLCSWABLHOGUGW-DHSIGJKJSA-N 2 2 384.351 3.635 20 0 GHADLP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000366887626 921799973 /nfs/dbraw/zinc/79/99/73/921799973.db2.gz WJRQHLGEKVGVCF-LJQANCHMSA-N 2 2 394.519 3.694 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000648718323 915832831 /nfs/dbraw/zinc/83/28/31/915832831.db2.gz BIDBKKYKAMSDMD-MRXNPFEDSA-N 2 2 388.943 3.831 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000648724830 915839998 /nfs/dbraw/zinc/83/99/98/915839998.db2.gz NCPGOOXAVNGJEZ-QGZVFWFLSA-N 2 2 388.943 3.785 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000648724830 915840010 /nfs/dbraw/zinc/84/00/10/915840010.db2.gz NCPGOOXAVNGJEZ-QGZVFWFLSA-N 2 2 388.943 3.785 20 0 GHADLP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000294888635 917033487 /nfs/dbraw/zinc/03/34/87/917033487.db2.gz DUXRQPADXSRVHW-UTKZUKDTSA-N 2 2 396.510 3.531 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190113098 917134839 /nfs/dbraw/zinc/13/48/39/917134839.db2.gz IJEOEPUSDRPLDC-QFIPXVFZSA-N 2 2 388.515 3.903 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190113098 917134848 /nfs/dbraw/zinc/13/48/48/917134848.db2.gz IJEOEPUSDRPLDC-QFIPXVFZSA-N 2 2 388.515 3.903 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1)c1ccccc1Cl ZINC000363082894 917741808 /nfs/dbraw/zinc/74/18/08/917741808.db2.gz FKEFOZBORWOTKF-RTBURBONSA-N 2 2 399.922 3.545 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1)c1ccccc1Cl ZINC000363082894 917741819 /nfs/dbraw/zinc/74/18/19/917741819.db2.gz FKEFOZBORWOTKF-RTBURBONSA-N 2 2 399.922 3.545 20 0 GHADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000363793551 918869218 /nfs/dbraw/zinc/86/92/18/918869218.db2.gz REMQVZOMEGXKBY-QGZVFWFLSA-N 2 2 381.524 3.931 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000297926504 919968789 /nfs/dbraw/zinc/96/87/89/919968789.db2.gz XKHBCARQTLTPFG-IHPCNDPISA-N 2 2 385.939 3.585 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000297926504 919968799 /nfs/dbraw/zinc/96/87/99/919968799.db2.gz XKHBCARQTLTPFG-IHPCNDPISA-N 2 2 385.939 3.585 20 0 GHADLP O[C@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)c(F)c1 ZINC000800405558 920037812 /nfs/dbraw/zinc/03/78/12/920037812.db2.gz NNPHYKJVBMBKFU-DNVCBOLYSA-N 2 2 377.891 3.925 20 0 GHADLP O[C@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)c(F)c1 ZINC000800405558 920037820 /nfs/dbraw/zinc/03/78/20/920037820.db2.gz NNPHYKJVBMBKFU-DNVCBOLYSA-N 2 2 377.891 3.925 20 0 GHADLP CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000298556420 920662773 /nfs/dbraw/zinc/66/27/73/920662773.db2.gz VJYUOWKLZQDKKU-JOCHJYFZSA-N 2 2 384.568 3.610 20 0 GHADLP O=C1C[C@@H](c2ccc(F)cc2)CN1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000902243081 922025516 /nfs/dbraw/zinc/02/55/16/922025516.db2.gz LMCIZWKGKJDIDY-LJQANCHMSA-N 2 2 396.510 3.512 20 0 GHADLP Cc1ccc(-c2csc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)n2)cc1 ZINC000367545099 922185918 /nfs/dbraw/zinc/18/59/18/922185918.db2.gz SIRVLRFAMOVOOE-RXVVDRJESA-N 2 2 384.593 3.576 20 0 GHADLP Cc1ccc(-c2csc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)n2)cc1 ZINC000367545099 922185925 /nfs/dbraw/zinc/18/59/25/922185925.db2.gz SIRVLRFAMOVOOE-RXVVDRJESA-N 2 2 384.593 3.576 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(=O)[nH]n1 ZINC000367592157 922218935 /nfs/dbraw/zinc/21/89/35/922218935.db2.gz BIBLXZJGZYMSGH-ZBQZNYHESA-N 2 2 394.441 3.935 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(=O)[nH]n1 ZINC000367592157 922218943 /nfs/dbraw/zinc/21/89/43/922218943.db2.gz BIBLXZJGZYMSGH-ZBQZNYHESA-N 2 2 394.441 3.935 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C(F)(F)F)cn1 ZINC000902752205 922465035 /nfs/dbraw/zinc/46/50/35/922465035.db2.gz ICBLPYKQLVNPQD-OAHLLOKOSA-N 2 2 379.426 3.783 20 0 GHADLP CCn1nc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000368367024 922625786 /nfs/dbraw/zinc/62/57/86/922625786.db2.gz KWTJWSGBYDIQCE-UHFFFAOYSA-N 3 2 397.611 3.684 20 0 GHADLP CCn1nc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000368367024 922625794 /nfs/dbraw/zinc/62/57/94/922625794.db2.gz KWTJWSGBYDIQCE-UHFFFAOYSA-N 3 2 397.611 3.684 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(-n2cc[nH+]c2)c1 ZINC000902948103 922629895 /nfs/dbraw/zinc/62/98/95/922629895.db2.gz PLLUZGWENZYNIC-NTKDMRAZSA-N 3 2 390.531 3.680 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(-n2cc[nH+]c2)c1 ZINC000902948103 922629904 /nfs/dbraw/zinc/62/99/04/922629904.db2.gz PLLUZGWENZYNIC-NTKDMRAZSA-N 3 2 390.531 3.680 20 0 GHADLP CC(C)(C)OC(=O)NCCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000902964793 922652389 /nfs/dbraw/zinc/65/23/89/922652389.db2.gz YINPRBFJBHZWJJ-OALUTQOASA-N 2 2 384.524 3.834 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902987027 922686637 /nfs/dbraw/zinc/68/66/37/922686637.db2.gz CMAXNUAHHXWXSU-DOTOQJQBSA-N 2 2 394.441 3.856 20 0 GHADLP C[C@@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903078206 922753087 /nfs/dbraw/zinc/75/30/87/922753087.db2.gz VOOKFPLGMSNGKX-QGZVFWFLSA-N 2 2 379.533 3.671 20 0 GHADLP C[C@@H]([NH2+]CC1(OCCO)CCC(C(F)F)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903262158 922888371 /nfs/dbraw/zinc/88/83/71/922888371.db2.gz DRBGOFSKORXHMI-ZGGTZUKQSA-N 2 2 393.478 3.726 20 0 GHADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000748993401 923977658 /nfs/dbraw/zinc/97/76/58/923977658.db2.gz CTQIINLSZREAAE-LEWJYISDSA-N 2 2 376.903 3.957 20 0 GHADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000748993401 923977665 /nfs/dbraw/zinc/97/76/65/923977665.db2.gz CTQIINLSZREAAE-LEWJYISDSA-N 2 2 376.903 3.957 20 0 GHADLP C[N@@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000370408636 924077947 /nfs/dbraw/zinc/07/79/47/924077947.db2.gz XCFXVCQCOIQYJU-XWGVYQGASA-N 2 2 395.547 3.764 20 0 GHADLP C[N@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000370408636 924077954 /nfs/dbraw/zinc/07/79/54/924077954.db2.gz XCFXVCQCOIQYJU-XWGVYQGASA-N 2 2 395.547 3.764 20 0 GHADLP C[NH+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000370408636 924077966 /nfs/dbraw/zinc/07/79/66/924077966.db2.gz XCFXVCQCOIQYJU-XWGVYQGASA-N 2 2 395.547 3.764 20 0 GHADLP C[NH+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000370408636 924077976 /nfs/dbraw/zinc/07/79/76/924077976.db2.gz XCFXVCQCOIQYJU-XWGVYQGASA-N 2 2 395.547 3.764 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C[N@@H+]1Cc1ccccc1 ZINC000677114432 924243972 /nfs/dbraw/zinc/24/39/72/924243972.db2.gz KJHOVRCUPDTYHV-FCEUIQTBSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C[N@H+]1Cc1ccccc1 ZINC000677114432 924243984 /nfs/dbraw/zinc/24/39/84/924243984.db2.gz KJHOVRCUPDTYHV-FCEUIQTBSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370712224 924271170 /nfs/dbraw/zinc/27/11/70/924271170.db2.gz ZVPUJSLLRASEFB-OAHLLOKOSA-N 2 2 394.357 3.584 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370712224 924271182 /nfs/dbraw/zinc/27/11/82/924271182.db2.gz ZVPUJSLLRASEFB-OAHLLOKOSA-N 2 2 394.357 3.584 20 0 GHADLP Clc1cccc(-n2cc(C[NH2+]CCCNc3cccc[nH+]3)nn2)c1Cl ZINC000677245875 924298393 /nfs/dbraw/zinc/29/83/93/924298393.db2.gz VKTPBAACCHSNLV-UHFFFAOYSA-N 2 2 377.279 3.561 20 0 GHADLP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000677737267 924473028 /nfs/dbraw/zinc/47/30/28/924473028.db2.gz RLLRUPMOEUPBEZ-OAHLLOKOSA-N 2 2 396.318 3.705 20 0 GHADLP CC(C)c1ccc2c(c1)[C@@H](NC(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CCC2 ZINC000677808187 924506443 /nfs/dbraw/zinc/50/64/43/924506443.db2.gz AHOWNVHIBSTBLB-REWPJTCUSA-N 2 2 398.595 3.655 20 0 GHADLP CC(C)c1ccc2c(c1)[C@@H](NC(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CCC2 ZINC000677808187 924506447 /nfs/dbraw/zinc/50/64/47/924506447.db2.gz AHOWNVHIBSTBLB-REWPJTCUSA-N 2 2 398.595 3.655 20 0 GHADLP CC(C)c1ccc2c(c1)[C@H](NC(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CCC2 ZINC000677808175 924506898 /nfs/dbraw/zinc/50/68/98/924506898.db2.gz AHOWNVHIBSTBLB-NFBKMPQASA-N 2 2 398.595 3.655 20 0 GHADLP CC(C)c1ccc2c(c1)[C@H](NC(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CCC2 ZINC000677808175 924506904 /nfs/dbraw/zinc/50/69/04/924506904.db2.gz AHOWNVHIBSTBLB-NFBKMPQASA-N 2 2 398.595 3.655 20 0 GHADLP Fc1cccc([C@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCO2)c1 ZINC000678235021 924679265 /nfs/dbraw/zinc/67/92/65/924679265.db2.gz BRJYSYGGAYXWBZ-HSZRJFAPSA-N 2 2 384.495 3.874 20 0 GHADLP Fc1cccc([C@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCO2)c1 ZINC000678235021 924679269 /nfs/dbraw/zinc/67/92/69/924679269.db2.gz BRJYSYGGAYXWBZ-HSZRJFAPSA-N 2 2 384.495 3.874 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000409532748 924735669 /nfs/dbraw/zinc/73/56/69/924735669.db2.gz FKSHWYZNDUHHJK-HKUYNNGSSA-N 2 2 391.968 3.958 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nc3c(s2)CCC3)CC1 ZINC000678496302 924798951 /nfs/dbraw/zinc/79/89/51/924798951.db2.gz SFPRZSOUZQNPAA-OAHLLOKOSA-N 2 2 388.556 3.764 20 0 GHADLP Cc1ccc(-c2nc(CN(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cs2)cc1 ZINC000678722304 924895756 /nfs/dbraw/zinc/89/57/56/924895756.db2.gz ZYLOPONJPJJGQO-OAQYLSRUSA-N 2 2 384.593 3.719 20 0 GHADLP Cc1ccc(-c2nc(CN(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cs2)cc1 ZINC000678722304 924895760 /nfs/dbraw/zinc/89/57/60/924895760.db2.gz ZYLOPONJPJJGQO-OAQYLSRUSA-N 2 2 384.593 3.719 20 0 GHADLP CN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000827197023 925000923 /nfs/dbraw/zinc/00/09/23/925000923.db2.gz UMRNRVQEOIVDLK-NRFANRHFSA-N 2 2 392.503 3.535 20 0 GHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679116194 925033402 /nfs/dbraw/zinc/03/34/02/925033402.db2.gz OSMYABDEUYIFHY-FHWLQOOXSA-N 2 2 381.923 3.603 20 0 GHADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679116194 925033414 /nfs/dbraw/zinc/03/34/14/925033414.db2.gz OSMYABDEUYIFHY-FHWLQOOXSA-N 2 2 381.923 3.603 20 0 GHADLP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679116194 925033424 /nfs/dbraw/zinc/03/34/24/925033424.db2.gz OSMYABDEUYIFHY-FHWLQOOXSA-N 2 2 381.923 3.603 20 0 GHADLP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679116194 925033433 /nfs/dbraw/zinc/03/34/33/925033433.db2.gz OSMYABDEUYIFHY-FHWLQOOXSA-N 2 2 381.923 3.603 20 0 GHADLP Brc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]2CCCO2)cc1 ZINC000679330835 925097459 /nfs/dbraw/zinc/09/74/59/925097459.db2.gz UOVULOZKDPXLFZ-RTBURBONSA-N 2 2 379.342 3.886 20 0 GHADLP COc1ccc2oc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)c(C)c2c1 ZINC000680416753 925471340 /nfs/dbraw/zinc/47/13/40/925471340.db2.gz AWODZUBGYMRFPA-PKOBYXMFSA-N 2 2 382.504 3.893 20 0 GHADLP COc1ccc2oc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)c(C)c2c1 ZINC000680416753 925471346 /nfs/dbraw/zinc/47/13/46/925471346.db2.gz AWODZUBGYMRFPA-PKOBYXMFSA-N 2 2 382.504 3.893 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CCC2 ZINC000373209056 925934933 /nfs/dbraw/zinc/93/49/33/925934933.db2.gz VIPXUXZUWMFNNZ-KAOXLYBCSA-N 2 2 394.563 3.692 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CCC2 ZINC000373209056 925934937 /nfs/dbraw/zinc/93/49/37/925934937.db2.gz VIPXUXZUWMFNNZ-KAOXLYBCSA-N 2 2 394.563 3.692 20 0 GHADLP CC(C)N(C)c1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000373478708 926174096 /nfs/dbraw/zinc/17/40/96/926174096.db2.gz HKUFLDHVGRYZDW-UHFFFAOYSA-N 2 2 384.490 3.821 20 0 GHADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750402737 927604609 /nfs/dbraw/zinc/60/46/09/927604609.db2.gz AWALGFFKZUCUDI-UHFFFAOYSA-N 2 2 389.569 3.893 20 0 GHADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000467392973 929030036 /nfs/dbraw/zinc/03/00/36/929030036.db2.gz XVIZJTDELHYXMG-DENIHFKCSA-N 2 2 384.495 3.702 20 0 GHADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000467392973 929030040 /nfs/dbraw/zinc/03/00/40/929030040.db2.gz XVIZJTDELHYXMG-DENIHFKCSA-N 2 2 384.495 3.702 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)cc1 ZINC000544355878 929085953 /nfs/dbraw/zinc/08/59/53/929085953.db2.gz RTCQFRURXKXIFJ-QHCPKHFHSA-N 2 2 394.494 3.825 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000469999043 930306061 /nfs/dbraw/zinc/30/60/61/930306061.db2.gz KGMQXVNUMXMBMO-JWTNVVGKSA-N 2 2 397.357 3.579 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000469999043 930306064 /nfs/dbraw/zinc/30/60/64/930306064.db2.gz KGMQXVNUMXMBMO-JWTNVVGKSA-N 2 2 397.357 3.579 20 0 GHADLP c1ccc(COC2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000557354883 931369380 /nfs/dbraw/zinc/36/93/80/931369380.db2.gz NUMZIQGCXRTPIJ-VWLOTQADSA-N 2 2 394.559 3.959 20 0 GHADLP c1ccc(COC2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000557354883 931369388 /nfs/dbraw/zinc/36/93/88/931369388.db2.gz NUMZIQGCXRTPIJ-VWLOTQADSA-N 2 2 394.559 3.959 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H]2CCCc3oc(C)nc32)CC1 ZINC000924963326 931596249 /nfs/dbraw/zinc/59/62/49/931596249.db2.gz XKZSCUKFKCTCKI-DNVCBOLYSA-N 2 2 386.515 3.992 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CCCc3oc(C)nc32)CC1 ZINC000924963327 931596540 /nfs/dbraw/zinc/59/65/40/931596540.db2.gz XKZSCUKFKCTCKI-HNAYVOBHSA-N 2 2 386.515 3.992 20 0 GHADLP Cc1ccc([C@@H]2CC(=O)N(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)C2)cc1 ZINC000783994193 931745443 /nfs/dbraw/zinc/74/54/43/931745443.db2.gz SETDVLGFKAONNT-JOCHJYFZSA-N 2 2 380.536 3.657 20 0 GHADLP COc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(F)cn1 ZINC000558222935 931890112 /nfs/dbraw/zinc/89/01/12/931890112.db2.gz VHKFFIRQYLHJHR-ULQDDVLXSA-N 2 2 387.499 3.689 20 0 GHADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccccc2-c2nc3ccccc3s2)CC1 ZINC000925917486 931958783 /nfs/dbraw/zinc/95/87/83/931958783.db2.gz VUUSIGCVZPGNCM-UHFFFAOYSA-N 2 2 395.532 3.508 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796695879 932033163 /nfs/dbraw/zinc/03/31/63/932033163.db2.gz PZXWPQRMUVIBIH-KURKYZTESA-N 2 2 390.572 3.869 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CC[NH+](C)C2CCCCC2)C[C@H](C)O1 ZINC000558703194 932178826 /nfs/dbraw/zinc/17/88/26/932178826.db2.gz SMADOBHNJPLOPS-KDURUIRLSA-N 2 2 387.568 3.889 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CC[NH+](C)C2CCCCC2)C[C@H](C)O1 ZINC000558703194 932178828 /nfs/dbraw/zinc/17/88/28/932178828.db2.gz SMADOBHNJPLOPS-KDURUIRLSA-N 2 2 387.568 3.889 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CC[N@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000558703194 932178831 /nfs/dbraw/zinc/17/88/31/932178831.db2.gz SMADOBHNJPLOPS-KDURUIRLSA-N 2 2 387.568 3.889 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000558703194 932178836 /nfs/dbraw/zinc/17/88/36/932178836.db2.gz SMADOBHNJPLOPS-KDURUIRLSA-N 2 2 387.568 3.889 20 0 GHADLP C[C@@H]1CCCN1C(=O)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000558738280 932202895 /nfs/dbraw/zinc/20/28/95/932202895.db2.gz UVQCSOAPNQASIO-FGCOXFRFSA-N 2 2 391.559 3.645 20 0 GHADLP C[C@@H]1CCCN1C(=O)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000558738280 932202903 /nfs/dbraw/zinc/20/29/03/932202903.db2.gz UVQCSOAPNQASIO-FGCOXFRFSA-N 2 2 391.559 3.645 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC[C@H]3CCCO)CC2)cc1 ZINC000926528902 932218213 /nfs/dbraw/zinc/21/82/13/932218213.db2.gz SVEGUOXGXJNYEM-REWPJTCUSA-N 2 2 387.568 3.530 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1cccc(Br)n1 ZINC000926581448 932234632 /nfs/dbraw/zinc/23/46/32/932234632.db2.gz OEXKCTNRPUOEQA-XUWXXGDYSA-N 2 2 375.314 3.583 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1cccc(Br)n1 ZINC000926581448 932234641 /nfs/dbraw/zinc/23/46/41/932234641.db2.gz OEXKCTNRPUOEQA-XUWXXGDYSA-N 2 2 375.314 3.583 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000559313080 932592435 /nfs/dbraw/zinc/59/24/35/932592435.db2.gz ZZBCATUNWOPASH-XLNZFTOWSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000559313080 932592438 /nfs/dbraw/zinc/59/24/38/932592438.db2.gz ZZBCATUNWOPASH-XLNZFTOWSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000559313080 932592443 /nfs/dbraw/zinc/59/24/43/932592443.db2.gz ZZBCATUNWOPASH-XLNZFTOWSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000559313080 932592448 /nfs/dbraw/zinc/59/24/48/932592448.db2.gz ZZBCATUNWOPASH-XLNZFTOWSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc2ccccc2c1 ZINC000559313077 932592552 /nfs/dbraw/zinc/59/25/52/932592552.db2.gz ZZBCATUNWOPASH-AXHZCLLHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc2ccccc2c1 ZINC000559313077 932592556 /nfs/dbraw/zinc/59/25/56/932592556.db2.gz ZZBCATUNWOPASH-AXHZCLLHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc2ccccc2c1 ZINC000559313077 932592563 /nfs/dbraw/zinc/59/25/63/932592563.db2.gz ZZBCATUNWOPASH-AXHZCLLHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc2ccccc2c1 ZINC000559313077 932592570 /nfs/dbraw/zinc/59/25/70/932592570.db2.gz ZZBCATUNWOPASH-AXHZCLLHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000559312300 932593938 /nfs/dbraw/zinc/59/39/38/932593938.db2.gz SCIFLUUYQQSMLK-CPJSRVTESA-N 2 2 391.559 3.698 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000559312300 932593941 /nfs/dbraw/zinc/59/39/41/932593941.db2.gz SCIFLUUYQQSMLK-CPJSRVTESA-N 2 2 391.559 3.698 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000559312300 932593942 /nfs/dbraw/zinc/59/39/42/932593942.db2.gz SCIFLUUYQQSMLK-CPJSRVTESA-N 2 2 391.559 3.698 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000559312300 932593944 /nfs/dbraw/zinc/59/39/44/932593944.db2.gz SCIFLUUYQQSMLK-CPJSRVTESA-N 2 2 391.559 3.698 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)C[C@@H]1c1ccccc1 ZINC000559738628 932828383 /nfs/dbraw/zinc/82/83/83/932828383.db2.gz CTNFHGNEBNVEPN-ZWKOTPCHSA-N 2 2 379.426 3.948 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)C[C@@H]1c1ccccc1 ZINC000559738628 932828389 /nfs/dbraw/zinc/82/83/89/932828389.db2.gz CTNFHGNEBNVEPN-ZWKOTPCHSA-N 2 2 379.426 3.948 20 0 GHADLP CC[N@H+](Cc1cnc(Cl)cn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000799139770 932886095 /nfs/dbraw/zinc/88/60/95/932886095.db2.gz LEJRNIHBUSZYII-UHFFFAOYSA-N 2 2 388.947 3.843 20 0 GHADLP CC[N@@H+](Cc1cnc(Cl)cn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000799139770 932886099 /nfs/dbraw/zinc/88/60/99/932886099.db2.gz LEJRNIHBUSZYII-UHFFFAOYSA-N 2 2 388.947 3.843 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(Br)cc1F ZINC001116065968 933315035 /nfs/dbraw/zinc/31/50/35/933315035.db2.gz NBJFURDEWVTNHF-UHFFFAOYSA-N 2 2 375.201 3.730 20 0 GHADLP COc1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)o1 ZINC001116350886 933502387 /nfs/dbraw/zinc/50/23/87/933502387.db2.gz PSVIEWAVDRKDIC-MRXNPFEDSA-N 2 2 379.464 3.525 20 0 GHADLP COc1ccccc1-c1nnc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)o1 ZINC001116350886 933502390 /nfs/dbraw/zinc/50/23/90/933502390.db2.gz PSVIEWAVDRKDIC-MRXNPFEDSA-N 2 2 379.464 3.525 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CCC([NH+](CC)CC)CC1 ZINC001116464740 933574827 /nfs/dbraw/zinc/57/48/27/933574827.db2.gz BEJSZZMVIDZYKW-UHFFFAOYSA-N 2 2 385.508 3.731 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001118213170 934110404 /nfs/dbraw/zinc/11/04/04/934110404.db2.gz FKGOFVWXOYPNDU-MRXNPFEDSA-N 2 2 399.495 3.551 20 0 GHADLP COc1ccc(C([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccc(OC)cc2)cc1 ZINC001118387454 934152220 /nfs/dbraw/zinc/15/22/20/934152220.db2.gz RIOYEFTUEVJQMD-OAQYLSRUSA-N 2 2 396.531 3.636 20 0 GHADLP CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccn3cc[nH+]c3c2)[NH+](C)C)cc1 ZINC000562097687 934695005 /nfs/dbraw/zinc/69/50/05/934695005.db2.gz PRRAUYXJPJJTFQ-LJQANCHMSA-N 2 2 381.480 3.546 20 0 GHADLP COc1cc(OC)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000562214622 934763220 /nfs/dbraw/zinc/76/32/20/934763220.db2.gz SLNDEYUODRKPQS-UXHICEINSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000562214622 934763222 /nfs/dbraw/zinc/76/32/22/934763222.db2.gz SLNDEYUODRKPQS-UXHICEINSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000562214622 934763225 /nfs/dbraw/zinc/76/32/25/934763225.db2.gz SLNDEYUODRKPQS-UXHICEINSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000562214622 934763228 /nfs/dbraw/zinc/76/32/28/934763228.db2.gz SLNDEYUODRKPQS-UXHICEINSA-N 2 2 396.531 3.666 20 0 GHADLP O=C1O[C@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CN1C1CCCCC1 ZINC000828461886 935637211 /nfs/dbraw/zinc/63/72/11/935637211.db2.gz HILHEEQNEWSUMC-YLJYHZDGSA-N 2 2 386.540 3.552 20 0 GHADLP O=C1O[C@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CN1C1CCCCC1 ZINC000828461886 935637212 /nfs/dbraw/zinc/63/72/12/935637212.db2.gz HILHEEQNEWSUMC-YLJYHZDGSA-N 2 2 386.540 3.552 20 0 GHADLP c1c2ccccc2sc1C[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001137683741 935710630 /nfs/dbraw/zinc/71/06/30/935710630.db2.gz FAYCBFZSMZCLAM-UHFFFAOYSA-N 2 2 381.549 3.537 20 0 GHADLP c1c2ccccc2sc1C[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001137683741 935710632 /nfs/dbraw/zinc/71/06/32/935710632.db2.gz FAYCBFZSMZCLAM-UHFFFAOYSA-N 2 2 381.549 3.537 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(F)c1F)CC2 ZINC001137937341 935880086 /nfs/dbraw/zinc/88/00/86/935880086.db2.gz RCHWVZDNVOVEOQ-MRXNPFEDSA-N 2 2 394.437 3.952 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(F)c1F)CC2 ZINC001137937341 935880089 /nfs/dbraw/zinc/88/00/89/935880089.db2.gz RCHWVZDNVOVEOQ-MRXNPFEDSA-N 2 2 394.437 3.952 20 0 GHADLP CC(C)C[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468020360 1015152276 /nfs/dbraw/zinc/15/22/76/1015152276.db2.gz WWFOQBRKPRXTEP-CTNGQTDRSA-N 2 2 397.567 3.995 20 0 GHADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)CC3 ZINC000545198284 1015645431 /nfs/dbraw/zinc/64/54/31/1015645431.db2.gz QXHRNTGEBFHGCK-INIZCTEOSA-N 2 2 385.552 3.513 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C[C@@H]1C ZINC000468394498 1015662165 /nfs/dbraw/zinc/66/21/65/1015662165.db2.gz ZHHURYRAQZOPAT-UWJYYQICSA-N 2 2 384.568 3.861 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C[C@@H]1C ZINC000468394498 1015662169 /nfs/dbraw/zinc/66/21/69/1015662169.db2.gz ZHHURYRAQZOPAT-UWJYYQICSA-N 2 2 384.568 3.861 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C[C@@H]1C ZINC000468394498 1015662174 /nfs/dbraw/zinc/66/21/74/1015662174.db2.gz ZHHURYRAQZOPAT-UWJYYQICSA-N 2 2 384.568 3.861 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C[C@@H]1C ZINC000468394498 1015662179 /nfs/dbraw/zinc/66/21/79/1015662179.db2.gz ZHHURYRAQZOPAT-UWJYYQICSA-N 2 2 384.568 3.861 20 0 GHADLP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000925177692 1017044568 /nfs/dbraw/zinc/04/45/68/1017044568.db2.gz DLYOCFDEFAGCEH-YTJPUZGESA-N 2 2 394.494 3.699 20 0 GHADLP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccc(OC)cc1 ZINC001461003677 1069330905 /nfs/dbraw/zinc/33/09/05/1069330905.db2.gz ODYHWFFXTGXJSZ-HSZRJFAPSA-N 2 2 384.520 3.647 20 0 GHADLP Fc1ccc(COc2ccc[nH+]c2NCC[C@H]2C[NH2+]Cc3cccn3C2)cc1 ZINC001155461146 1032551521 /nfs/dbraw/zinc/55/15/21/1032551521.db2.gz BKJOLQZYKYJCRK-SFHVURJKSA-N 2 2 380.467 3.823 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1F)CC2 ZINC001204194936 1032648864 /nfs/dbraw/zinc/64/88/64/1032648864.db2.gz JMIMZGMUSSZQOV-LJQANCHMSA-N 2 2 387.474 3.615 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1F)CC2 ZINC001204194936 1032648870 /nfs/dbraw/zinc/64/88/70/1032648870.db2.gz JMIMZGMUSSZQOV-LJQANCHMSA-N 2 2 387.474 3.615 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CCOCC1)c1ccccc1 ZINC000925512435 1017097616 /nfs/dbraw/zinc/09/76/16/1017097616.db2.gz CNFALIZYACVRPO-NZQKXSOJSA-N 3 2 381.564 3.956 20 0 GHADLP CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)c3cccc4c[nH+]cn43)CC2)cc1 ZINC001155794291 1032710595 /nfs/dbraw/zinc/71/05/95/1032710595.db2.gz RKUSCXGDYDBARH-UHFFFAOYSA-N 2 2 376.504 3.590 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001204271344 1032714830 /nfs/dbraw/zinc/71/48/30/1032714830.db2.gz JFONMINFCXOXPV-UHFFFAOYSA-N 3 2 378.520 3.835 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001204271344 1032714839 /nfs/dbraw/zinc/71/48/39/1032714839.db2.gz JFONMINFCXOXPV-UHFFFAOYSA-N 3 2 378.520 3.835 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC001204289038 1032729403 /nfs/dbraw/zinc/72/94/03/1032729403.db2.gz YFHCRHDRSPVMIB-APWZRJJASA-N 2 2 396.453 3.941 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC001204289038 1032729419 /nfs/dbraw/zinc/72/94/19/1032729419.db2.gz YFHCRHDRSPVMIB-APWZRJJASA-N 2 2 396.453 3.941 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC001204289038 1032729436 /nfs/dbraw/zinc/72/94/36/1032729436.db2.gz YFHCRHDRSPVMIB-APWZRJJASA-N 2 2 396.453 3.941 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC001204289038 1032729443 /nfs/dbraw/zinc/72/94/43/1032729443.db2.gz YFHCRHDRSPVMIB-APWZRJJASA-N 2 2 396.453 3.941 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4cccc5c4OCCCO5)C3)C2)cc1 ZINC000561968957 1017994748 /nfs/dbraw/zinc/99/47/48/1017994748.db2.gz GCKAPYYPUXKPJV-XMMPIXPASA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4cccc5c4OCCCO5)C3)C2)cc1 ZINC000561968957 1017994751 /nfs/dbraw/zinc/99/47/51/1017994751.db2.gz GCKAPYYPUXKPJV-XMMPIXPASA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4cccc5c4OCCCO5)C3)C2)cc1 ZINC000561968957 1017994760 /nfs/dbraw/zinc/99/47/60/1017994760.db2.gz GCKAPYYPUXKPJV-XMMPIXPASA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4cccc5c4OCCCO5)C3)C2)cc1 ZINC000561968957 1017994761 /nfs/dbraw/zinc/99/47/61/1017994761.db2.gz GCKAPYYPUXKPJV-XMMPIXPASA-N 2 2 378.516 3.946 20 0 GHADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000562669189 1018514338 /nfs/dbraw/zinc/51/43/38/1018514338.db2.gz AQKIUXWTWHMJEH-INIZCTEOSA-N 2 2 389.931 3.542 20 0 GHADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000562669189 1018514347 /nfs/dbraw/zinc/51/43/47/1018514347.db2.gz AQKIUXWTWHMJEH-INIZCTEOSA-N 2 2 389.931 3.542 20 0 GHADLP O=C(Nc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1)c1ccncc1 ZINC000562747933 1018598063 /nfs/dbraw/zinc/59/80/63/1018598063.db2.gz VBIHGDVIHAKRKC-GMAHTHKFSA-N 2 2 386.499 3.917 20 0 GHADLP CCOc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1OC ZINC001204361311 1032800857 /nfs/dbraw/zinc/80/08/57/1032800857.db2.gz FEUSLLNZSZBMID-VXKWHMMOSA-N 2 2 380.532 3.966 20 0 GHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(C)(C)[C@H]([NH3+])c3ccccc3)CC2)c1 ZINC000564922498 1019131015 /nfs/dbraw/zinc/13/10/15/1019131015.db2.gz RMTZKZMGSIFNNC-PGRDOPGGSA-N 2 2 395.547 3.627 20 0 GHADLP COC(=O)C[C@H](c1cc[nH+]c(NCc2cccnc2C2CC[NH2+]CC2)c1)C1CC1 ZINC001156001561 1032834259 /nfs/dbraw/zinc/83/42/59/1032834259.db2.gz ULQCCZOFMFWKDW-FQEVSTJZSA-N 2 2 394.519 3.612 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)nc1C1CC1 ZINC000574627362 1019895447 /nfs/dbraw/zinc/89/54/47/1019895447.db2.gz ROTDDEVGCHRMCH-OXQOHEQNSA-N 2 2 385.552 3.878 20 0 GHADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(Cl)c1 ZINC000575735909 1019942091 /nfs/dbraw/zinc/94/20/91/1019942091.db2.gz JREOUMYKBNYAEL-ZAAXVRCTSA-N 2 2 393.959 3.502 20 0 GHADLP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000577059034 1020114133 /nfs/dbraw/zinc/11/41/33/1020114133.db2.gz CHAABMVVBSVAPA-IAGOWNOFSA-N 2 2 384.549 3.548 20 0 GHADLP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000577059034 1020114144 /nfs/dbraw/zinc/11/41/44/1020114144.db2.gz CHAABMVVBSVAPA-IAGOWNOFSA-N 2 2 384.549 3.548 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(OC(C)C)cc3)CC2)CC1 ZINC001204452989 1032896247 /nfs/dbraw/zinc/89/62/47/1032896247.db2.gz IXVFNYQTLQZFMX-UHFFFAOYSA-N 2 2 388.552 3.713 20 0 GHADLP Brc1ccc2c(C3C[NH+](Cc4ccc5c(c4)CCO5)C3)[nH+]cn2c1 ZINC001204491177 1032924372 /nfs/dbraw/zinc/92/43/72/1032924372.db2.gz IMGRKCJAAFUKHV-UHFFFAOYSA-N 2 2 384.277 3.631 20 0 GHADLP CCOc1cc(C[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)ccc1OC ZINC000642198147 1021086908 /nfs/dbraw/zinc/08/69/08/1021086908.db2.gz ZSCBUTFEZXQGJU-UHFFFAOYSA-N 2 2 397.563 3.704 20 0 GHADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834508158 1021232913 /nfs/dbraw/zinc/23/29/13/1021232913.db2.gz IUZNPCARWGQBLN-ROUUACIJSA-N 2 2 376.545 3.530 20 0 GHADLP CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001140333418 1021432001 /nfs/dbraw/zinc/43/20/01/1021432001.db2.gz WNTUYCPWGSTWGR-KDURUIRLSA-N 2 2 384.524 3.626 20 0 GHADLP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001140333418 1021432007 /nfs/dbraw/zinc/43/20/07/1021432007.db2.gz WNTUYCPWGSTWGR-KDURUIRLSA-N 2 2 384.524 3.626 20 0 GHADLP COc1cc(C[N@H+]2CCc3[nH+]ccn3CC2)c(OCc2ccccc2)cc1OC ZINC001204628723 1033001223 /nfs/dbraw/zinc/00/12/23/1033001223.db2.gz YVORQBMIYCDGDF-UHFFFAOYSA-N 2 2 393.487 3.538 20 0 GHADLP COc1cc(C[N@@H+]2CCc3[nH+]ccn3CC2)c(OCc2ccccc2)cc1OC ZINC001204628723 1033001232 /nfs/dbraw/zinc/00/12/32/1033001232.db2.gz YVORQBMIYCDGDF-UHFFFAOYSA-N 2 2 393.487 3.538 20 0 GHADLP c1csc(-c2ccccc2C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)n1 ZINC001140450251 1021737915 /nfs/dbraw/zinc/73/79/15/1021737915.db2.gz MQXQGICEOTVLAV-PMACEKPBSA-N 2 2 376.529 3.769 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3-c3nccs3)CC2)C1 ZINC001140454762 1021743399 /nfs/dbraw/zinc/74/33/99/1021743399.db2.gz POTQKJXBZBYSCP-SFHVURJKSA-N 2 2 399.560 3.660 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3-c3nccs3)CC2)C1 ZINC001140454762 1021743409 /nfs/dbraw/zinc/74/34/09/1021743409.db2.gz POTQKJXBZBYSCP-SFHVURJKSA-N 2 2 399.560 3.660 20 0 GHADLP CN(C(=O)CCc1ccccc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677290269 1021814635 /nfs/dbraw/zinc/81/46/35/1021814635.db2.gz IYZIXXHBKSOMKP-FCHUYYIVSA-N 2 2 389.559 3.554 20 0 GHADLP CN(C(=O)CCc1ccccc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677290269 1021814658 /nfs/dbraw/zinc/81/46/58/1021814658.db2.gz IYZIXXHBKSOMKP-FCHUYYIVSA-N 2 2 389.559 3.554 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c(Br)c1 ZINC001140757971 1022448959 /nfs/dbraw/zinc/44/89/59/1022448959.db2.gz MLHDNWKCHYBEHR-UHFFFAOYSA-N 2 2 390.325 3.900 20 0 GHADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2cccnc2)C1 ZINC001140802985 1022574302 /nfs/dbraw/zinc/57/43/02/1022574302.db2.gz HPXFXYFLZHZPJZ-NZQKXSOJSA-N 2 2 392.503 3.546 20 0 GHADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCO[C@]2(CCC[C@H]2COCc2cccnc2)C1 ZINC001140802985 1022574311 /nfs/dbraw/zinc/57/43/11/1022574311.db2.gz HPXFXYFLZHZPJZ-NZQKXSOJSA-N 2 2 392.503 3.546 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1csc2ccccc21)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000754732387 1022864917 /nfs/dbraw/zinc/86/49/17/1022864917.db2.gz CCRGBAMIOUEUSG-IAGOWNOFSA-N 2 2 394.544 3.684 20 0 GHADLP CN(C(=O)NC/C=C/c1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755059337 1023052886 /nfs/dbraw/zinc/05/28/86/1023052886.db2.gz LLWPBBWEJOWRSX-PERFQFFHSA-N 2 2 398.595 3.678 20 0 GHADLP CN(C(=O)NC/C=C/c1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755059337 1023052898 /nfs/dbraw/zinc/05/28/98/1023052898.db2.gz LLWPBBWEJOWRSX-PERFQFFHSA-N 2 2 398.595 3.678 20 0 GHADLP Oc1c(F)cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)cc1F ZINC001140990455 1023102520 /nfs/dbraw/zinc/10/25/20/1023102520.db2.gz ZSHCCRMOHQBLDY-UHFFFAOYSA-N 2 2 388.458 3.537 20 0 GHADLP Oc1c(F)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cc1F ZINC001140990455 1023102533 /nfs/dbraw/zinc/10/25/33/1023102533.db2.gz ZSHCCRMOHQBLDY-UHFFFAOYSA-N 2 2 388.458 3.537 20 0 GHADLP CC1CCC(=CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000755205458 1023126062 /nfs/dbraw/zinc/12/60/62/1023126062.db2.gz JAWDSVNCMSKMLB-LFZQMPOYSA-N 2 2 375.601 3.919 20 0 GHADLP CC1CCC(=CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000755205458 1023126070 /nfs/dbraw/zinc/12/60/70/1023126070.db2.gz JAWDSVNCMSKMLB-LFZQMPOYSA-N 2 2 375.601 3.919 20 0 GHADLP CCCCc1[nH]c(C[NH+]2CCC3(CCOC[C@H]3COc3cccnc3)CC2)c[nH+]1 ZINC001141071000 1023424035 /nfs/dbraw/zinc/42/40/35/1023424035.db2.gz WZMQGSNJVBYSJJ-IBGZPJMESA-N 2 2 398.551 3.845 20 0 GHADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(C(F)(F)F)ccc1Cl ZINC001138083786 1024027188 /nfs/dbraw/zinc/02/71/88/1024027188.db2.gz CIERICHXKOSRPN-DLBZAZTESA-N 2 2 375.866 3.569 20 0 GHADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(C(F)(F)F)ccc1Cl ZINC001138083786 1024027203 /nfs/dbraw/zinc/02/72/03/1024027203.db2.gz CIERICHXKOSRPN-DLBZAZTESA-N 2 2 375.866 3.569 20 0 GHADLP CCc1ccccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001141226501 1024199565 /nfs/dbraw/zinc/19/95/65/1024199565.db2.gz DHKMMZAZLJYION-IFMALSPDSA-N 2 2 385.577 3.737 20 0 GHADLP CCc1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001141226501 1024199571 /nfs/dbraw/zinc/19/95/71/1024199571.db2.gz DHKMMZAZLJYION-IFMALSPDSA-N 2 2 385.577 3.737 20 0 GHADLP CCc1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001141226501 1024199581 /nfs/dbraw/zinc/19/95/81/1024199581.db2.gz DHKMMZAZLJYION-IFMALSPDSA-N 2 2 385.577 3.737 20 0 GHADLP CCc1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001141226501 1024199599 /nfs/dbraw/zinc/19/95/99/1024199599.db2.gz DHKMMZAZLJYION-IFMALSPDSA-N 2 2 385.577 3.737 20 0 GHADLP CCOc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc(Br)c1O ZINC001138206151 1024365524 /nfs/dbraw/zinc/36/55/24/1024365524.db2.gz FBWOEHITMMTEFH-UHFFFAOYSA-N 2 2 385.346 3.858 20 0 GHADLP CCOc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc(Br)c1O ZINC001138206151 1024365541 /nfs/dbraw/zinc/36/55/41/1024365541.db2.gz FBWOEHITMMTEFH-UHFFFAOYSA-N 2 2 385.346 3.858 20 0 GHADLP C[C@@H]([NH2+]Cc1cc(Br)cnc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001205007676 1033206144 /nfs/dbraw/zinc/20/61/44/1033206144.db2.gz MEUZNEMCRPQKRZ-GDBMZVCRSA-N 2 2 392.316 3.983 20 0 GHADLP C[C@@H]([NH2+]Cc1cc(Br)cnc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001205007676 1033206157 /nfs/dbraw/zinc/20/61/57/1033206157.db2.gz MEUZNEMCRPQKRZ-GDBMZVCRSA-N 2 2 392.316 3.983 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccccc2I)C1 ZINC001138213969 1024377837 /nfs/dbraw/zinc/37/78/37/1024377837.db2.gz KBFOOCIAOYRXRJ-OAHLLOKOSA-N 2 2 394.256 3.648 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2I)C1 ZINC001138213969 1024377855 /nfs/dbraw/zinc/37/78/55/1024377855.db2.gz KBFOOCIAOYRXRJ-OAHLLOKOSA-N 2 2 394.256 3.648 20 0 GHADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(C(F)(F)F)c1Cl ZINC001205045494 1033224598 /nfs/dbraw/zinc/22/45/98/1033224598.db2.gz XLBLURQNBOFXHN-JKSUJKDBSA-N 2 2 375.866 3.569 20 0 GHADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc(C(F)(F)F)c1Cl ZINC001205045494 1033224605 /nfs/dbraw/zinc/22/46/05/1033224605.db2.gz XLBLURQNBOFXHN-JKSUJKDBSA-N 2 2 375.866 3.569 20 0 GHADLP Cc1c2ccccc2[nH]c1C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001138398621 1024776739 /nfs/dbraw/zinc/77/67/39/1024776739.db2.gz GRNYLKLJRPEQDY-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP Cc1c2ccccc2[nH]c1C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001138398621 1024776752 /nfs/dbraw/zinc/77/67/52/1024776752.db2.gz GRNYLKLJRPEQDY-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP COc1ccccc1CN1CC[NH+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138547584 1024993546 /nfs/dbraw/zinc/99/35/46/1024993546.db2.gz QEZIGUKEZGGKPZ-UHFFFAOYSA-N 2 2 376.504 3.507 20 0 GHADLP COCC[N@H+](Cc1ccc(OCc2cccc(F)c2)cc1)C1CC[NH+](C)CC1 ZINC001138662660 1025182750 /nfs/dbraw/zinc/18/27/50/1025182750.db2.gz ZIYZQOIZHZRYJR-UHFFFAOYSA-N 2 2 386.511 3.947 20 0 GHADLP COCC[N@@H+](Cc1ccc(OCc2cccc(F)c2)cc1)C1CC[NH+](C)CC1 ZINC001138662660 1025182758 /nfs/dbraw/zinc/18/27/58/1025182758.db2.gz ZIYZQOIZHZRYJR-UHFFFAOYSA-N 2 2 386.511 3.947 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(OC)c4cccc(OC)c34)CC2)c1 ZINC001138755744 1025307861 /nfs/dbraw/zinc/30/78/61/1025307861.db2.gz ZKRAKNAZNPTUET-UHFFFAOYSA-N 2 2 393.487 3.583 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cnn(Cc5ccccc5)c4)C[C@H]3C2)cc1 ZINC001138765806 1025331911 /nfs/dbraw/zinc/33/19/11/1025331911.db2.gz YOJLLJIEJLISKH-JWQCQUIFSA-N 2 2 386.543 3.804 20 0 GHADLP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001138852721 1025472930 /nfs/dbraw/zinc/47/29/30/1025472930.db2.gz YMKROIVTYWZEHD-INIZCTEOSA-N 2 2 382.382 3.951 20 0 GHADLP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001138852721 1025472936 /nfs/dbraw/zinc/47/29/36/1025472936.db2.gz YMKROIVTYWZEHD-INIZCTEOSA-N 2 2 382.382 3.951 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccccc2OC(F)F)CC3)cn1 ZINC001138909185 1025564267 /nfs/dbraw/zinc/56/42/67/1025564267.db2.gz HCGTXMXFURVXNV-UHFFFAOYSA-N 2 2 390.478 3.652 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccccc2OC(F)F)CC3)cn1 ZINC001138909185 1025564280 /nfs/dbraw/zinc/56/42/80/1025564280.db2.gz HCGTXMXFURVXNV-UHFFFAOYSA-N 2 2 390.478 3.652 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3oc(-c4ccccc4)nc3C(F)(F)F)C2)CC1 ZINC001162471870 1025760040 /nfs/dbraw/zinc/76/00/40/1025760040.db2.gz ZACNOCOMPVVZFU-OAHLLOKOSA-N 2 2 394.441 3.941 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3oc(-c4ccccc4)nc3C(F)(F)F)C2)CC1 ZINC001162471870 1025760046 /nfs/dbraw/zinc/76/00/46/1025760046.db2.gz ZACNOCOMPVVZFU-OAHLLOKOSA-N 2 2 394.441 3.941 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3oc(-c4ccccc4)nc3C(F)(F)F)C2)CC1 ZINC001162471869 1025760282 /nfs/dbraw/zinc/76/02/82/1025760282.db2.gz ZACNOCOMPVVZFU-HNNXBMFYSA-N 2 2 394.441 3.941 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3oc(-c4ccccc4)nc3C(F)(F)F)C2)CC1 ZINC001162471869 1025760299 /nfs/dbraw/zinc/76/02/99/1025760299.db2.gz ZACNOCOMPVVZFU-HNNXBMFYSA-N 2 2 394.441 3.941 20 0 GHADLP Cc1ccccc1O[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001139062983 1025857321 /nfs/dbraw/zinc/85/73/21/1025857321.db2.gz ZNUPZIPWUZLQRK-QHCPKHFHSA-N 2 2 380.532 3.871 20 0 GHADLP Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001139062983 1025857342 /nfs/dbraw/zinc/85/73/42/1025857342.db2.gz ZNUPZIPWUZLQRK-QHCPKHFHSA-N 2 2 380.532 3.871 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3c3cccc(Cl)c3)s2)CC1 ZINC001139325698 1026184285 /nfs/dbraw/zinc/18/42/85/1026184285.db2.gz WTGYPWQCJKPDFM-GOSISDBHSA-N 2 2 376.957 3.885 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3c3cccc(Cl)c3)s2)CC1 ZINC001139325698 1026184291 /nfs/dbraw/zinc/18/42/91/1026184291.db2.gz WTGYPWQCJKPDFM-GOSISDBHSA-N 2 2 376.957 3.885 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3c3ccccc3Cl)s2)CC1 ZINC001139325043 1026185029 /nfs/dbraw/zinc/18/50/29/1026185029.db2.gz ZMODKKDLQTXLBH-GOSISDBHSA-N 2 2 376.957 3.885 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3c3ccccc3Cl)s2)CC1 ZINC001139325043 1026185037 /nfs/dbraw/zinc/18/50/37/1026185037.db2.gz ZMODKKDLQTXLBH-GOSISDBHSA-N 2 2 376.957 3.885 20 0 GHADLP Cc1ccc(N2C[C@]3(CC[N@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C3)CC2=O)s1 ZINC001139359933 1026233232 /nfs/dbraw/zinc/23/32/32/1026233232.db2.gz OATAOTIWEWMVOT-JOCHJYFZSA-N 2 2 392.528 3.871 20 0 GHADLP Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C3)CC2=O)s1 ZINC001139359933 1026233245 /nfs/dbraw/zinc/23/32/45/1026233245.db2.gz OATAOTIWEWMVOT-JOCHJYFZSA-N 2 2 392.528 3.871 20 0 GHADLP C[C@@H]1CN(c2ccc(C[N@H+](C3CCCC3)C3CC[NH+](C)CC3)cn2)C[C@H](C)O1 ZINC001139389548 1026256459 /nfs/dbraw/zinc/25/64/59/1026256459.db2.gz ULWHCWNONKHFOK-KDURUIRLSA-N 2 2 386.584 3.534 20 0 GHADLP C[C@@H]1CN(c2ccc(C[N@@H+](C3CCCC3)C3CC[NH+](C)CC3)cn2)C[C@H](C)O1 ZINC001139389548 1026256472 /nfs/dbraw/zinc/25/64/72/1026256472.db2.gz ULWHCWNONKHFOK-KDURUIRLSA-N 2 2 386.584 3.534 20 0 GHADLP COc1cc2ccc(N3CCC(COCC[NH+]4CCCC4)CC3)[nH+]c2cc1OC ZINC001163881421 1026349236 /nfs/dbraw/zinc/34/92/36/1026349236.db2.gz FERNJOHGRZTXIG-UHFFFAOYSA-N 2 2 399.535 3.581 20 0 GHADLP C[N@H+](CCc1ccccc1Cl)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763396 1026601131 /nfs/dbraw/zinc/60/11/31/1026601131.db2.gz LNCWHQJZTAOQRC-UHFFFAOYSA-N 2 2 388.939 3.726 20 0 GHADLP C[N@@H+](CCc1ccccc1Cl)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763396 1026601139 /nfs/dbraw/zinc/60/11/39/1026601139.db2.gz LNCWHQJZTAOQRC-UHFFFAOYSA-N 2 2 388.939 3.726 20 0 GHADLP Fc1ccccc1C1CC[NH+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001139766575 1026602493 /nfs/dbraw/zinc/60/24/93/1026602493.db2.gz KNAQCYYGSRQKHC-UHFFFAOYSA-N 2 2 398.522 3.916 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1cccc3c4ccccc4oc31)CC2 ZINC001139854800 1026670199 /nfs/dbraw/zinc/67/01/99/1026670199.db2.gz HFMHZUJTTNSQIR-UHFFFAOYSA-N 2 2 391.515 3.762 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1cccc3c4ccccc4oc31)CC2 ZINC001139854800 1026670207 /nfs/dbraw/zinc/67/02/07/1026670207.db2.gz HFMHZUJTTNSQIR-UHFFFAOYSA-N 2 2 391.515 3.762 20 0 GHADLP Cc1c[nH+]c(N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)cc1C ZINC001165318954 1026702889 /nfs/dbraw/zinc/70/28/89/1026702889.db2.gz IRIFJJYDJZKRFH-OAHLLOKOSA-N 2 2 387.281 3.687 20 0 GHADLP COc1ccc2c(Cl)cc(Cl)nc2c1-n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001165355297 1026711566 /nfs/dbraw/zinc/71/15/66/1026711566.db2.gz RNGMFCKTKFULTD-UHFFFAOYSA-N 2 2 377.275 3.733 20 0 GHADLP CCN(CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001461138964 1069409249 /nfs/dbraw/zinc/40/92/49/1069409249.db2.gz BSBBQLYGIBDJIX-LJQANCHMSA-N 2 2 375.557 3.886 20 0 GHADLP CCN(CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001461138964 1069409257 /nfs/dbraw/zinc/40/92/57/1069409257.db2.gz BSBBQLYGIBDJIX-LJQANCHMSA-N 2 2 375.557 3.886 20 0 GHADLP Cc1nccn1-c1ccccc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001140021665 1026805072 /nfs/dbraw/zinc/80/50/72/1026805072.db2.gz ORTKOUNSDKWKPU-WOJBJXKFSA-N 2 2 378.545 3.806 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC001140025640 1026813726 /nfs/dbraw/zinc/81/37/26/1026813726.db2.gz QWLHXZQLNMOXMD-UHFFFAOYSA-N 2 2 391.519 3.710 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC001140025640 1026813733 /nfs/dbraw/zinc/81/37/33/1026813733.db2.gz QWLHXZQLNMOXMD-UHFFFAOYSA-N 2 2 391.519 3.710 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H](n2cc(Br)cn2)C1 ZINC001140029214 1026818513 /nfs/dbraw/zinc/81/85/13/1026818513.db2.gz JNJLYNFXSSPXHT-QGZVFWFLSA-N 2 2 386.297 3.587 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H](n2cc(Br)cn2)C1 ZINC001140029214 1026818520 /nfs/dbraw/zinc/81/85/20/1026818520.db2.gz JNJLYNFXSSPXHT-QGZVFWFLSA-N 2 2 386.297 3.587 20 0 GHADLP COc1c(Cl)cccc1C[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001140060591 1026839968 /nfs/dbraw/zinc/83/99/68/1026839968.db2.gz FZLJWCSKLOSGEC-UHFFFAOYSA-N 2 2 387.911 3.615 20 0 GHADLP [NH3+]C1CCN(c2cc[nH+]c(N3CCc4ccccc4[C@@H]3c3ccccc3)n2)CC1 ZINC001166767598 1027078598 /nfs/dbraw/zinc/07/85/98/1027078598.db2.gz DEQJRDKXVBSBKY-QHCPKHFHSA-N 2 2 385.515 3.556 20 0 GHADLP Clc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(Cl)c1 ZINC001203391275 1027304236 /nfs/dbraw/zinc/30/42/36/1027304236.db2.gz MAVSEYKVSCLTDA-UHFFFAOYSA-N 2 2 379.335 3.844 20 0 GHADLP COc1ccc(OC)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001203526018 1027407027 /nfs/dbraw/zinc/40/70/27/1027407027.db2.gz ULSUSXUMPCZMQH-TZYHBYERSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(OC)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001203526018 1027407038 /nfs/dbraw/zinc/40/70/38/1027407038.db2.gz ULSUSXUMPCZMQH-TZYHBYERSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(OC)c(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001203526018 1027407045 /nfs/dbraw/zinc/40/70/45/1027407045.db2.gz ULSUSXUMPCZMQH-TZYHBYERSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(OC)c(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001203526018 1027407056 /nfs/dbraw/zinc/40/70/56/1027407056.db2.gz ULSUSXUMPCZMQH-TZYHBYERSA-N 2 2 395.547 3.831 20 0 GHADLP O[C@@H]1C[NH2+]CC[N@H+](Cc2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)C1 ZINC001210400253 1027490712 /nfs/dbraw/zinc/49/07/12/1027490712.db2.gz SNTKMQMHQWRQPJ-LJQANCHMSA-N 2 2 391.490 3.684 20 0 GHADLP O[C@@H]1C[NH2+]CC[N@@H+](Cc2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)C1 ZINC001210400253 1027490719 /nfs/dbraw/zinc/49/07/19/1027490719.db2.gz SNTKMQMHQWRQPJ-LJQANCHMSA-N 2 2 391.490 3.684 20 0 GHADLP Clc1ccc2c(c1)CCc1cccnc1C2=C1CC[NH+](CC2C[NH2+]C2)CC1 ZINC001210815098 1027661905 /nfs/dbraw/zinc/66/19/05/1027661905.db2.gz OUZAODLAGRVLLU-UHFFFAOYSA-N 2 2 379.935 3.951 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)C1 ZINC001204050018 1027838896 /nfs/dbraw/zinc/83/88/96/1027838896.db2.gz OCDYZALSKGKUFP-GOSISDBHSA-N 2 2 398.551 3.731 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)C1 ZINC001204050018 1027838912 /nfs/dbraw/zinc/83/89/12/1027838912.db2.gz OCDYZALSKGKUFP-GOSISDBHSA-N 2 2 398.551 3.731 20 0 GHADLP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001213538962 1028249524 /nfs/dbraw/zinc/24/95/24/1028249524.db2.gz JITLHFLMIHGOSN-UHFFFAOYSA-N 2 2 381.524 3.576 20 0 GHADLP [NH3+]CCc1ccc(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC000841216057 1028291260 /nfs/dbraw/zinc/29/12/60/1028291260.db2.gz DAAPMVMGBLXCID-UHFFFAOYSA-N 2 2 389.503 3.709 20 0 GHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001142171303 1028292497 /nfs/dbraw/zinc/29/24/97/1028292497.db2.gz CBTZRIBMCYPIAH-UHFFFAOYSA-N 2 2 398.599 3.619 20 0 GHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001142171303 1028292515 /nfs/dbraw/zinc/29/25/15/1028292515.db2.gz CBTZRIBMCYPIAH-UHFFFAOYSA-N 2 2 398.599 3.619 20 0 GHADLP CC(C)[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1F ZINC001461429003 1069545048 /nfs/dbraw/zinc/54/50/48/1069545048.db2.gz WPVZGFCLHZQOTN-LJQANCHMSA-N 2 2 391.922 3.508 20 0 GHADLP CCCCOc1ccc(-c2noc(-c3c[nH+]ccc3N3CC[NH+](C)CC3)n2)cc1 ZINC001214673827 1028852369 /nfs/dbraw/zinc/85/23/69/1028852369.db2.gz JBEIOXUGWRWUHO-UHFFFAOYSA-N 2 2 393.491 3.729 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cccc3nn(C)cc31)CC2 ZINC001142448572 1028938944 /nfs/dbraw/zinc/93/89/44/1028938944.db2.gz HCZXBAHXJAERHW-UHFFFAOYSA-N 2 2 393.535 3.809 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cccc3nn(C)cc31)CC2 ZINC001142448572 1028938948 /nfs/dbraw/zinc/93/89/48/1028938948.db2.gz HCZXBAHXJAERHW-UHFFFAOYSA-N 2 2 393.535 3.809 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000843362148 1029939329 /nfs/dbraw/zinc/93/93/29/1029939329.db2.gz SZVCHLAEQFZUDM-ZYJGPIPZSA-N 2 2 397.950 3.890 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000843362148 1029939336 /nfs/dbraw/zinc/93/93/36/1029939336.db2.gz SZVCHLAEQFZUDM-ZYJGPIPZSA-N 2 2 397.950 3.890 20 0 GHADLP CC(C)(C)OC(=O)NCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000404656925 1029941447 /nfs/dbraw/zinc/94/14/47/1029941447.db2.gz PTUVUNKIVBYODN-MSOLQXFVSA-N 2 2 377.504 3.567 20 0 GHADLP CC(C)(C)OC(=O)NCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000404656925 1029941453 /nfs/dbraw/zinc/94/14/53/1029941453.db2.gz PTUVUNKIVBYODN-MSOLQXFVSA-N 2 2 377.504 3.567 20 0 GHADLP [NH3+]CC1(F)CC[NH+](Cc2cc(Br)ccc2OC(F)(F)F)CC1 ZINC001222542292 1030189367 /nfs/dbraw/zinc/18/93/67/1030189367.db2.gz DKESOQONHVPYIF-UHFFFAOYSA-N 2 2 385.199 3.611 20 0 GHADLP CCCOc1ccc(Br)c(C[NH+]2CCC(F)(C[NH3+])CC2)c1F ZINC001222552277 1030192225 /nfs/dbraw/zinc/19/22/25/1030192225.db2.gz AFJBVGFZYDMPNG-UHFFFAOYSA-N 2 2 377.273 3.640 20 0 GHADLP Brc1ccnc2[nH]cc(C[N@@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)c21 ZINC001222602741 1030228396 /nfs/dbraw/zinc/22/83/96/1030228396.db2.gz YJXHZEAVGYCLND-INIZCTEOSA-N 2 2 397.320 3.514 20 0 GHADLP Brc1ccnc2[nH]cc(C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)c21 ZINC001222602741 1030228412 /nfs/dbraw/zinc/22/84/12/1030228412.db2.gz YJXHZEAVGYCLND-INIZCTEOSA-N 2 2 397.320 3.514 20 0 GHADLP Fc1ccc(OC(F)(F)F)cc1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609239 1030232133 /nfs/dbraw/zinc/23/21/33/1030232133.db2.gz MBGALXBCUAYDIT-KRWDZBQOSA-N 2 2 380.385 3.913 20 0 GHADLP Fc1ccc(OC(F)(F)F)cc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609239 1030232149 /nfs/dbraw/zinc/23/21/49/1030232149.db2.gz MBGALXBCUAYDIT-KRWDZBQOSA-N 2 2 380.385 3.913 20 0 GHADLP COc1cccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1Br ZINC001222616074 1030241810 /nfs/dbraw/zinc/24/18/10/1030241810.db2.gz WYGOWWGTKAADCD-QGZVFWFLSA-N 2 2 387.321 3.647 20 0 GHADLP COc1cccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1Br ZINC001222616074 1030241824 /nfs/dbraw/zinc/24/18/24/1030241824.db2.gz WYGOWWGTKAADCD-QGZVFWFLSA-N 2 2 387.321 3.647 20 0 GHADLP O[C@H](CC[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)C1CCCC1 ZINC001461698479 1069686245 /nfs/dbraw/zinc/68/62/45/1069686245.db2.gz CUFPSTRWEDQYJG-LJQANCHMSA-N 2 2 377.916 3.646 20 0 GHADLP COc1ccc(Br)cc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131310528 1030898334 /nfs/dbraw/zinc/89/83/34/1030898334.db2.gz KNXLOKQYDXHEEV-CQSZACIVSA-N 2 2 378.314 3.646 20 0 GHADLP COc1ccc(Br)cc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131310528 1030898360 /nfs/dbraw/zinc/89/83/60/1030898360.db2.gz KNXLOKQYDXHEEV-CQSZACIVSA-N 2 2 378.314 3.646 20 0 GHADLP COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001151971056 1031064927 /nfs/dbraw/zinc/06/49/27/1031064927.db2.gz BQDKCOZPGWSPHN-IBGZPJMESA-N 2 2 392.503 3.698 20 0 GHADLP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001151971056 1031064944 /nfs/dbraw/zinc/06/49/44/1031064944.db2.gz BQDKCOZPGWSPHN-IBGZPJMESA-N 2 2 392.503 3.698 20 0 GHADLP CC(C)(C)Oc1ccc(C[C@H]([NH3+])CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001218810973 1031088920 /nfs/dbraw/zinc/08/89/20/1031088920.db2.gz DIKVINFJCOWBJY-SFHVURJKSA-N 2 2 392.503 3.948 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)C[NH2+]2)c1 ZINC001218884549 1031132046 /nfs/dbraw/zinc/13/20/46/1031132046.db2.gz WWYVAPJCEBZVHC-DOTOQJQBSA-N 2 2 394.441 3.924 20 0 GHADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)c1cccc2c1C[N@H+](Cc1ccccc1)C2 ZINC001219031703 1031223761 /nfs/dbraw/zinc/22/37/61/1031223761.db2.gz YLDLSDDEXSAWTG-UHFFFAOYSA-N 2 2 399.494 3.937 20 0 GHADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)c1cccc2c1C[N@@H+](Cc1ccccc1)C2 ZINC001219031703 1031223772 /nfs/dbraw/zinc/22/37/72/1031223772.db2.gz YLDLSDDEXSAWTG-UHFFFAOYSA-N 2 2 399.494 3.937 20 0 GHADLP CC(C)Oc1cc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)cc(C(F)(F)F)c1 ZINC001219174829 1031288655 /nfs/dbraw/zinc/28/86/55/1031288655.db2.gz QKFLXYSXDDURNO-QGZVFWFLSA-N 2 2 381.398 3.703 20 0 GHADLP CN(C(=O)/C=C/C=C(Cl)Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001153503219 1031619488 /nfs/dbraw/zinc/61/94/88/1031619488.db2.gz CCNYISCXEAWYJC-OGNIYVCYSA-N 2 2 388.383 3.657 20 0 GHADLP CN(C(=O)/C=C/C=C(Cl)Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001153503219 1031619502 /nfs/dbraw/zinc/61/95/02/1031619502.db2.gz CCNYISCXEAWYJC-OGNIYVCYSA-N 2 2 388.383 3.657 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[NH2+]Cc2ccsc21)c1ccccc1Cl ZINC001219825626 1031639332 /nfs/dbraw/zinc/63/93/32/1031639332.db2.gz LVQQIFBEJIIOMI-IRXDYDNUSA-N 2 2 377.941 3.745 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4ccc(C)c(F)c4)CC[C@@H]3C2)cs1 ZINC001205227947 1033317083 /nfs/dbraw/zinc/31/70/83/1033317083.db2.gz PSMYAHIHJCOWNK-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4ccc(C)c(F)c4)CC[C@@H]3C2)cs1 ZINC001205227947 1033317095 /nfs/dbraw/zinc/31/70/95/1033317095.db2.gz PSMYAHIHJCOWNK-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4ccc(C)c(F)c4)CC[C@@H]3C2)cs1 ZINC001205227947 1033317108 /nfs/dbraw/zinc/31/71/08/1033317108.db2.gz PSMYAHIHJCOWNK-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4ccc(C)c(F)c4)CC[C@@H]3C2)cs1 ZINC001205227947 1033317123 /nfs/dbraw/zinc/31/71/23/1033317123.db2.gz PSMYAHIHJCOWNK-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C(F)(F)F)nc4)C[C@@H]3C2)cc1 ZINC001205370464 1033380645 /nfs/dbraw/zinc/38/06/45/1033380645.db2.gz IJSDKMKXXQQTQY-OALUTQOASA-N 2 2 375.438 3.973 20 0 GHADLP c1cc(C[NH+]2CCOCC2)cc(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)c1 ZINC001205811273 1033585544 /nfs/dbraw/zinc/58/55/44/1033585544.db2.gz NSJIQNPKYFHMQY-UHFFFAOYSA-N 2 2 393.531 3.584 20 0 GHADLP FC(F)(F)C[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001206350924 1033808711 /nfs/dbraw/zinc/80/87/11/1033808711.db2.gz OKDBRWIKSYADOU-GOSISDBHSA-N 2 2 386.458 3.562 20 0 GHADLP FC(F)(F)C[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001206350924 1033808721 /nfs/dbraw/zinc/80/87/21/1033808721.db2.gz OKDBRWIKSYADOU-GOSISDBHSA-N 2 2 386.458 3.562 20 0 GHADLP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157971204 1033844112 /nfs/dbraw/zinc/84/41/12/1033844112.db2.gz VWBVLSJDYLWXQK-RUZDIDTESA-N 2 2 399.538 3.862 20 0 GHADLP O=C(/C=C/c1ccc(Cn2cc[nH+]c2)cc1)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158027608 1033872621 /nfs/dbraw/zinc/87/26/21/1033872621.db2.gz GYHVRSAYAUTGDI-HBRDYDSTSA-N 2 2 392.547 3.717 20 0 GHADLP O=C(OCc1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001207185568 1034154373 /nfs/dbraw/zinc/15/43/73/1034154373.db2.gz PEFNAMACLNGPEI-UNMCSNQZSA-N 2 2 385.552 3.784 20 0 GHADLP O=C(OCc1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001207185568 1034154382 /nfs/dbraw/zinc/15/43/82/1034154382.db2.gz PEFNAMACLNGPEI-UNMCSNQZSA-N 2 2 385.552 3.784 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](CCOCc1ccccc1)CC2 ZINC001207231079 1034197638 /nfs/dbraw/zinc/19/76/38/1034197638.db2.gz KEHSIFFNNBPXFQ-UHFFFAOYSA-N 2 2 383.536 3.939 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](CCOCc1ccccc1)CC2 ZINC001207231079 1034197649 /nfs/dbraw/zinc/19/76/49/1034197649.db2.gz KEHSIFFNNBPXFQ-UHFFFAOYSA-N 2 2 383.536 3.939 20 0 GHADLP CCOCc1cnc2n1CC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)[C@H]2C ZINC001207291828 1034244052 /nfs/dbraw/zinc/24/40/52/1034244052.db2.gz XJZCAXZESJWMLL-IBGZPJMESA-N 2 2 382.552 3.708 20 0 GHADLP CCOCc1cnc2n1CC[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)[C@H]2C ZINC001207291828 1034244064 /nfs/dbraw/zinc/24/40/64/1034244064.db2.gz XJZCAXZESJWMLL-IBGZPJMESA-N 2 2 382.552 3.708 20 0 GHADLP CC1(C)C[C@@H](C[NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)CCO1 ZINC001207362752 1034309399 /nfs/dbraw/zinc/30/93/99/1034309399.db2.gz JWOKBGAXCSCXJA-ZDUSSCGKSA-N 2 2 378.314 3.701 20 0 GHADLP COC(=O)C[C@H](c1cc[nH+]c(N2CCC3(CC2)[NH2+]Cc2ccccc23)c1)C1CC1 ZINC001159030695 1034390523 /nfs/dbraw/zinc/39/05/23/1034390523.db2.gz AOWNJCKRVWCPTN-FQEVSTJZSA-N 2 2 391.515 3.737 20 0 GHADLP Fc1ccccc1CC[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001207498873 1034403369 /nfs/dbraw/zinc/40/33/69/1034403369.db2.gz BMTSSVQLRIFFJP-OAQYLSRUSA-N 2 2 389.465 3.997 20 0 GHADLP Fc1ccccc1CC[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001207498873 1034403376 /nfs/dbraw/zinc/40/33/76/1034403376.db2.gz BMTSSVQLRIFFJP-OAQYLSRUSA-N 2 2 389.465 3.997 20 0 GHADLP Fc1ccccc1CC[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001207498873 1034403383 /nfs/dbraw/zinc/40/33/83/1034403383.db2.gz BMTSSVQLRIFFJP-OAQYLSRUSA-N 2 2 389.465 3.997 20 0 GHADLP Fc1ccccc1CC[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001207498873 1034403391 /nfs/dbraw/zinc/40/33/91/1034403391.db2.gz BMTSSVQLRIFFJP-OAQYLSRUSA-N 2 2 389.465 3.997 20 0 GHADLP [NH3+]C1CCN(c2ccc(Nc3ccc(C[NH+]4CCCCC4)c(F)c3)c[nH+]2)CC1 ZINC001159323584 1034543836 /nfs/dbraw/zinc/54/38/36/1034543836.db2.gz LOZFPTLBDFVQTH-UHFFFAOYSA-N 3 2 383.515 3.878 20 0 GHADLP CCc1oc(CNc2[nH+]c3ccccc3n2CC[NH+](CC)CC)cc1C(=O)OC ZINC001207873544 1034633850 /nfs/dbraw/zinc/63/38/50/1034633850.db2.gz YKVQMCHEHORKIE-UHFFFAOYSA-N 2 2 398.507 3.932 20 0 GHADLP Cc1c[nH+]c(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)nc1NC1CC1 ZINC001159554961 1034661690 /nfs/dbraw/zinc/66/16/90/1034661690.db2.gz USLWDRWNBLJUTO-NLDTVIPQSA-N 2 2 377.536 3.992 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](C[C@@H]4CCC(C)=C[C@H]4C)CC[C@@H]3C2)cs1 ZINC001208176277 1034775372 /nfs/dbraw/zinc/77/53/72/1034775372.db2.gz QAYFNDIUMUFZKY-UGGKCQTMSA-N 2 2 389.609 3.967 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](C[C@@H]4CCC(C)=C[C@H]4C)CC[C@@H]3C2)cs1 ZINC001208176277 1034775384 /nfs/dbraw/zinc/77/53/84/1034775384.db2.gz QAYFNDIUMUFZKY-UGGKCQTMSA-N 2 2 389.609 3.967 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](C[C@@H]4CCC(C)=C[C@H]4C)CC[C@@H]3C2)cs1 ZINC001208176277 1034775397 /nfs/dbraw/zinc/77/53/97/1034775397.db2.gz QAYFNDIUMUFZKY-UGGKCQTMSA-N 2 2 389.609 3.967 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](C[C@@H]4CCC(C)=C[C@H]4C)CC[C@@H]3C2)cs1 ZINC001208176277 1034775412 /nfs/dbraw/zinc/77/54/12/1034775412.db2.gz QAYFNDIUMUFZKY-UGGKCQTMSA-N 2 2 389.609 3.967 20 0 GHADLP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001208205667 1034796259 /nfs/dbraw/zinc/79/62/59/1034796259.db2.gz KIIFSJBQTBGVDP-IBGZPJMESA-N 2 2 376.589 3.916 20 0 GHADLP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001208205667 1034796266 /nfs/dbraw/zinc/79/62/66/1034796266.db2.gz KIIFSJBQTBGVDP-IBGZPJMESA-N 2 2 376.589 3.916 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cc3cc[nH]c3cn1)CC2 ZINC001231665154 1034820635 /nfs/dbraw/zinc/82/06/35/1034820635.db2.gz IKCXFCIMDAJNFS-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cc3cc[nH]c3cn1)CC2 ZINC001231665154 1034820648 /nfs/dbraw/zinc/82/06/48/1034820648.db2.gz IKCXFCIMDAJNFS-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)c(O)c1)CC2 ZINC001231729969 1034866196 /nfs/dbraw/zinc/86/61/96/1034866196.db2.gz DGJRRUIKWZQKPE-QGZVFWFLSA-N 2 2 390.911 3.894 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)c(O)c1)CC2 ZINC001231729969 1034866207 /nfs/dbraw/zinc/86/62/07/1034866207.db2.gz DGJRRUIKWZQKPE-QGZVFWFLSA-N 2 2 390.911 3.894 20 0 GHADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001208614109 1034955332 /nfs/dbraw/zinc/95/53/32/1034955332.db2.gz JQXZMZYCMUKBCD-OAHLLOKOSA-N 2 2 384.442 3.822 20 0 GHADLP C[N@H+]1CCC[C@@H](C[NH+]2CCC(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001208614109 1034955339 /nfs/dbraw/zinc/95/53/39/1034955339.db2.gz JQXZMZYCMUKBCD-OAHLLOKOSA-N 2 2 384.442 3.822 20 0 GHADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cc4ccnc(Cl)c4s3)CC2)CC1 ZINC001461929665 1069893585 /nfs/dbraw/zinc/89/35/85/1069893585.db2.gz WWZOOAQJGQMGRZ-UHFFFAOYSA-N 2 2 393.000 3.940 20 0 GHADLP C[NH+]1CCC(Oc2cc[nH+]c(Nc3ccc(C[NH3+])cc3C(F)(F)F)c2)CC1 ZINC001160423227 1034968424 /nfs/dbraw/zinc/96/84/24/1034968424.db2.gz JOXFLKCQLNLKQZ-UHFFFAOYSA-N 3 2 380.414 3.776 20 0 GHADLP c1c(C[N@@H+]2CCc3c(c(COCC4CC4)nn3CC3CC3)C2)[nH]c2cc[nH+]cc12 ZINC001232013332 1035044018 /nfs/dbraw/zinc/04/40/18/1035044018.db2.gz LJQXYDMZLXMGLS-UHFFFAOYSA-N 2 2 391.519 3.654 20 0 GHADLP c1c(C[N@H+]2CCc3c(c(COCC4CC4)nn3CC3CC3)C2)[nH]c2cc[nH+]cc12 ZINC001232013332 1035044026 /nfs/dbraw/zinc/04/40/26/1035044026.db2.gz LJQXYDMZLXMGLS-UHFFFAOYSA-N 2 2 391.519 3.654 20 0 GHADLP CCOc1cccc(N2CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208940484 1035110123 /nfs/dbraw/zinc/11/01/23/1035110123.db2.gz SGEXNDLOQYCNPD-QFIPXVFZSA-N 2 2 394.563 3.515 20 0 GHADLP CCOc1cccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208940484 1035110126 /nfs/dbraw/zinc/11/01/26/1035110126.db2.gz SGEXNDLOQYCNPD-QFIPXVFZSA-N 2 2 394.563 3.515 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208942453 1035111153 /nfs/dbraw/zinc/11/11/53/1035111153.db2.gz QLJNCQSQJWIUEV-NJYVYQBISA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208942453 1035111156 /nfs/dbraw/zinc/11/11/56/1035111156.db2.gz QLJNCQSQJWIUEV-NJYVYQBISA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208942453 1035111158 /nfs/dbraw/zinc/11/11/58/1035111158.db2.gz QLJNCQSQJWIUEV-NJYVYQBISA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208942453 1035111159 /nfs/dbraw/zinc/11/11/59/1035111159.db2.gz QLJNCQSQJWIUEV-NJYVYQBISA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1CC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001208950535 1035122225 /nfs/dbraw/zinc/12/22/25/1035122225.db2.gz TZXOUAHUQFZWKT-FQEVSTJZSA-N 2 2 387.568 3.840 20 0 GHADLP CC(C)(C)OC(=O)N1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001208950535 1035122226 /nfs/dbraw/zinc/12/22/26/1035122226.db2.gz TZXOUAHUQFZWKT-FQEVSTJZSA-N 2 2 387.568 3.840 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001208950535 1035122229 /nfs/dbraw/zinc/12/22/29/1035122229.db2.gz TZXOUAHUQFZWKT-FQEVSTJZSA-N 2 2 387.568 3.840 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001208950535 1035122232 /nfs/dbraw/zinc/12/22/32/1035122232.db2.gz TZXOUAHUQFZWKT-FQEVSTJZSA-N 2 2 387.568 3.840 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)c1 ZINC001232152416 1035131905 /nfs/dbraw/zinc/13/19/05/1035131905.db2.gz XKSSSWAWSCQCIW-UHFFFAOYSA-N 2 2 381.539 3.985 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)c1 ZINC001232152416 1035131907 /nfs/dbraw/zinc/13/19/07/1035131907.db2.gz XKSSSWAWSCQCIW-UHFFFAOYSA-N 2 2 381.539 3.985 20 0 GHADLP CC/C=C\CCCCCC[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001209285585 1035231010 /nfs/dbraw/zinc/23/10/10/1035231010.db2.gz KKQOGVRYGSZVMG-QEVIJRNUSA-N 2 2 387.616 3.924 20 0 GHADLP CC/C=C\CCCCCC[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001209285585 1035231015 /nfs/dbraw/zinc/23/10/15/1035231015.db2.gz KKQOGVRYGSZVMG-QEVIJRNUSA-N 2 2 387.616 3.924 20 0 GHADLP CC(C)[N@H+](CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209341729 1035245821 /nfs/dbraw/zinc/24/58/21/1035245821.db2.gz IMYBIPBOCLYTOT-UHFFFAOYSA-N 2 2 399.576 3.963 20 0 GHADLP CC(C)[N@@H+](CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209341729 1035245828 /nfs/dbraw/zinc/24/58/28/1035245828.db2.gz IMYBIPBOCLYTOT-UHFFFAOYSA-N 2 2 399.576 3.963 20 0 GHADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](CCC13CC4CC(CC(C4)C1)C3)C2 ZINC001209447618 1035276568 /nfs/dbraw/zinc/27/65/68/1035276568.db2.gz NVZPDWCYSRKXPE-UHFFFAOYSA-N 2 2 385.600 3.931 20 0 GHADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](CCC13CC4CC(CC(C4)C1)C3)C2 ZINC001209447618 1035276569 /nfs/dbraw/zinc/27/65/69/1035276569.db2.gz NVZPDWCYSRKXPE-UHFFFAOYSA-N 2 2 385.600 3.931 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](CCC13CC4CC(CC(C4)C1)C3)C2 ZINC001209447618 1035276570 /nfs/dbraw/zinc/27/65/70/1035276570.db2.gz NVZPDWCYSRKXPE-UHFFFAOYSA-N 2 2 385.600 3.931 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](CCC13CC4CC(CC(C4)C1)C3)C2 ZINC001209447618 1035276571 /nfs/dbraw/zinc/27/65/71/1035276571.db2.gz NVZPDWCYSRKXPE-UHFFFAOYSA-N 2 2 385.600 3.931 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc4c(cnn4[C@@H]4CCCCO4)c3)c2)C1 ZINC001242450374 1035909876 /nfs/dbraw/zinc/90/98/76/1035909876.db2.gz FDOQNDUSMAKPPB-GMAHTHKFSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc4c(cnn4[C@@H]4CCCCO4)c3)c2)C1 ZINC001242450374 1035909887 /nfs/dbraw/zinc/90/98/87/1035909887.db2.gz FDOQNDUSMAKPPB-GMAHTHKFSA-N 2 2 376.504 3.935 20 0 GHADLP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3c(Cl)ccc(F)c3F)CC2)C1 ZINC001278360215 1036063003 /nfs/dbraw/zinc/06/30/03/1036063003.db2.gz ZFUDBYCZGCPCST-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3c(Cl)ccc(F)c3F)CC2)C1 ZINC001278360215 1036063024 /nfs/dbraw/zinc/06/30/24/1036063024.db2.gz ZFUDBYCZGCPCST-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP Cn1c(Br)ccc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001248773768 1036128931 /nfs/dbraw/zinc/12/89/31/1036128931.db2.gz XCBJEIKGYCMXDJ-UHFFFAOYSA-N 2 2 376.342 3.884 20 0 GHADLP Cn1c(Br)ccc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001248773768 1036128938 /nfs/dbraw/zinc/12/89/38/1036128938.db2.gz XCBJEIKGYCMXDJ-UHFFFAOYSA-N 2 2 376.342 3.884 20 0 GHADLP Fc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(COC2CC[NH2+]CC2)cc1 ZINC001245408682 1036911538 /nfs/dbraw/zinc/91/15/38/1036911538.db2.gz CCANSTKDITYLRJ-UHFFFAOYSA-N 2 2 384.495 3.594 20 0 GHADLP CC(C)(C)OC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246206192 1037239406 /nfs/dbraw/zinc/23/94/06/1037239406.db2.gz DRZKNQSUJCRMNX-PBHICJAKSA-N 2 2 387.351 3.890 20 0 GHADLP CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246335799 1037300599 /nfs/dbraw/zinc/30/05/99/1037300599.db2.gz IGHKUSAXTHSSOH-LJQANCHMSA-N 2 2 378.944 3.716 20 0 GHADLP FC(F)(F)c1ccccc1CC1([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]CC1 ZINC001246391253 1037351957 /nfs/dbraw/zinc/35/19/57/1037351957.db2.gz VLOQJJBPVLKALR-QGZVFWFLSA-N 3 2 381.486 3.634 20 0 GHADLP FC(F)(F)c1cccc(CC2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC[NH2+]CC2)c1 ZINC001246428989 1037389141 /nfs/dbraw/zinc/38/91/41/1037389141.db2.gz FOPDYHJPUQMQKC-REPLKXPHSA-N 3 2 381.486 3.633 20 0 GHADLP FC(F)(F)c1ccc(CC2([NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)CC[NH2+]CC2)cc1 ZINC001246430385 1037391108 /nfs/dbraw/zinc/39/11/08/1037391108.db2.gz UYRLQNOSYWBKRD-GOSISDBHSA-N 3 2 381.486 3.634 20 0 GHADLP O=C([C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)N1CCCCC1 ZINC001246462846 1037417579 /nfs/dbraw/zinc/41/75/79/1037417579.db2.gz JEKNRJBMYCZFAU-HJOGWXRNSA-N 2 2 391.559 3.693 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246505373 1037445291 /nfs/dbraw/zinc/44/52/91/1037445291.db2.gz VHFBUJPYBWESEA-OCFYOKIWSA-N 3 2 377.576 3.850 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246505373 1037445298 /nfs/dbraw/zinc/44/52/98/1037445298.db2.gz VHFBUJPYBWESEA-OCFYOKIWSA-N 3 2 377.576 3.850 20 0 GHADLP COc1cccc([C@@H](C[NH3+])[NH2+]C2CCC(C3CCC4(CC3)OCCO4)CC2)c1 ZINC001246510346 1037450003 /nfs/dbraw/zinc/45/00/03/1037450003.db2.gz KXXZXFUISQYSHO-INXVGGANSA-N 2 2 388.552 3.777 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246622189 1037512561 /nfs/dbraw/zinc/51/25/61/1037512561.db2.gz XVKNUTUBEPHWPK-FYYLOGMGSA-N 3 2 387.612 3.910 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246622189 1037512575 /nfs/dbraw/zinc/51/25/75/1037512575.db2.gz XVKNUTUBEPHWPK-FYYLOGMGSA-N 3 2 387.612 3.910 20 0 GHADLP c1ccc(C[C@H]2C[C@@H]([NH+]3CCN(c4nsc5ccccc54)CC3)CC[NH2+]2)cc1 ZINC001246683102 1037546510 /nfs/dbraw/zinc/54/65/10/1037546510.db2.gz ZFXYOVAQJSNYBI-PMACEKPBSA-N 2 2 392.572 3.782 20 0 GHADLP C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246724007 1037575758 /nfs/dbraw/zinc/57/57/58/1037575758.db2.gz WBAWNUVHQZTDOY-KKLQWCBXSA-N 2 2 386.584 3.889 20 0 GHADLP C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246724007 1037575762 /nfs/dbraw/zinc/57/57/62/1037575762.db2.gz WBAWNUVHQZTDOY-KKLQWCBXSA-N 2 2 386.584 3.889 20 0 GHADLP C[NH2+]CC[C@H](C)[NH+]1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 ZINC001246797526 1037635907 /nfs/dbraw/zinc/63/59/07/1037635907.db2.gz PCTZXFBTGRBYJV-KRWDZBQOSA-N 2 2 380.561 3.845 20 0 GHADLP c1ccc([C@@H]2C[C@@H]([NH+]3CCC(Oc4cnc5ccccc5n4)CC3)CC[NH2+]2)cc1 ZINC001246876828 1037690534 /nfs/dbraw/zinc/69/05/34/1037690534.db2.gz MYKZLTHGMIEWAF-CVDCTZTESA-N 2 2 388.515 3.966 20 0 GHADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)Cc2ccccc21 ZINC001246903610 1037715554 /nfs/dbraw/zinc/71/55/54/1037715554.db2.gz ATURNWFJQRBWCY-VLCRHTCISA-N 2 2 382.479 3.700 20 0 GHADLP COC(=O)[C@@H]1C[N@H+]([C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)Cc2ccccc21 ZINC001246903610 1037715575 /nfs/dbraw/zinc/71/55/75/1037715575.db2.gz ATURNWFJQRBWCY-VLCRHTCISA-N 2 2 382.479 3.700 20 0 GHADLP CCOC(=O)C1(CC)CC[NH+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)CC1 ZINC001246909625 1037718848 /nfs/dbraw/zinc/71/88/48/1037718848.db2.gz FYBPMNLNBDPARF-QUCCMNQESA-N 2 2 376.516 3.983 20 0 GHADLP O=C1C[C@@H]([N@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC001246941342 1037746536 /nfs/dbraw/zinc/74/65/36/1037746536.db2.gz ZRZILYQASMYOEZ-XZOQPEGZSA-N 2 2 395.522 3.571 20 0 GHADLP O=C1C[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC001246941342 1037746557 /nfs/dbraw/zinc/74/65/57/1037746557.db2.gz ZRZILYQASMYOEZ-XZOQPEGZSA-N 2 2 395.522 3.571 20 0 GHADLP FC1(F)CN([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC[C@@H]1[NH+]1CCCCC1 ZINC001246992851 1037818280 /nfs/dbraw/zinc/81/82/80/1037818280.db2.gz ZRMHMQRGMKACBM-NJYVYQBISA-N 2 2 377.523 3.545 20 0 GHADLP CC(C)(C)c1ccc(-c2noc([C@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)cc1 ZINC001247124808 1037936282 /nfs/dbraw/zinc/93/62/82/1037936282.db2.gz FMDVRYGNSNERBW-QGZVFWFLSA-N 2 2 377.492 3.649 20 0 GHADLP CCc1cc(Br)ccc1-c1noc(-c2ccc([C@@H]([NH3+])C[NH3+])cc2)n1 ZINC001247699453 1038338884 /nfs/dbraw/zinc/33/88/84/1038338884.db2.gz ZMVCDFUMBJOSRF-INIZCTEOSA-N 2 2 387.281 3.687 20 0 GHADLP Cc1c(Br)ccc(-c2noc(-c3ccc([C@@H]([NH3+])C[NH3+])cc3)n2)c1F ZINC001247700280 1038339306 /nfs/dbraw/zinc/33/93/06/1038339306.db2.gz MJMJHRIGSBGDCW-AWEZNQCLSA-N 2 2 391.244 3.572 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3cc(Cl)cc(Br)c3)no2)cc1 ZINC001247702941 1038340514 /nfs/dbraw/zinc/34/05/14/1038340514.db2.gz ZRRCMHSERFWMSJ-AWEZNQCLSA-N 2 2 393.672 3.778 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cccc(NC(=O)OC(C)(C)C)n2)C1 ZINC001232604523 1038384836 /nfs/dbraw/zinc/38/48/36/1038384836.db2.gz GBUIHAGBAXMLKX-QGZVFWFLSA-N 2 2 384.480 3.785 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cccc(NC(=O)OC(C)(C)C)n2)C1 ZINC001232604523 1038384852 /nfs/dbraw/zinc/38/48/52/1038384852.db2.gz GBUIHAGBAXMLKX-QGZVFWFLSA-N 2 2 384.480 3.785 20 0 GHADLP COc1cc(O)cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001232802569 1038565737 /nfs/dbraw/zinc/56/57/37/1038565737.db2.gz CGLVRFFAYYHTII-NMNUPHIUSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001232802569 1038565745 /nfs/dbraw/zinc/56/57/45/1038565745.db2.gz CGLVRFFAYYHTII-NMNUPHIUSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)cc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001232802569 1038565755 /nfs/dbraw/zinc/56/57/55/1038565755.db2.gz CGLVRFFAYYHTII-NMNUPHIUSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)cc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001232802569 1038565767 /nfs/dbraw/zinc/56/57/67/1038565767.db2.gz CGLVRFFAYYHTII-NMNUPHIUSA-N 2 2 381.520 3.528 20 0 GHADLP Oc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1OCC1CC1 ZINC001233224881 1038985086 /nfs/dbraw/zinc/98/50/86/1038985086.db2.gz DALXOLIXUJYQEA-KDURUIRLSA-N 2 2 384.545 3.806 20 0 GHADLP Oc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1OCC1CC1 ZINC001233224881 1038985090 /nfs/dbraw/zinc/98/50/90/1038985090.db2.gz DALXOLIXUJYQEA-KDURUIRLSA-N 2 2 384.545 3.806 20 0 GHADLP Oc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1OCC1CC1 ZINC001233224881 1038985098 /nfs/dbraw/zinc/98/50/98/1038985098.db2.gz DALXOLIXUJYQEA-KDURUIRLSA-N 2 2 384.545 3.806 20 0 GHADLP Oc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1OCC1CC1 ZINC001233224881 1038985102 /nfs/dbraw/zinc/98/51/02/1038985102.db2.gz DALXOLIXUJYQEA-KDURUIRLSA-N 2 2 384.545 3.806 20 0 GHADLP O[C@]1(C[NH2+][C@H](c2ccccc2F)C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948054 1039290758 /nfs/dbraw/zinc/29/07/58/1039290758.db2.gz IZPHROCWMJUHTM-ZEQRLZLVSA-N 2 2 398.522 3.520 20 0 GHADLP O[C@]1(C[NH2+][C@H](c2ccccc2F)C2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948054 1039290770 /nfs/dbraw/zinc/29/07/70/1039290770.db2.gz IZPHROCWMJUHTM-ZEQRLZLVSA-N 2 2 398.522 3.520 20 0 GHADLP CC(C)C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nc2ccccc2[nH]1 ZINC001252948984 1039292325 /nfs/dbraw/zinc/29/23/25/1039292325.db2.gz DFDQGHBEMQAKMW-ISKFKSNPSA-N 2 2 392.547 3.877 20 0 GHADLP CC(C)C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccc2[nH]1 ZINC001252948984 1039292338 /nfs/dbraw/zinc/29/23/38/1039292338.db2.gz DFDQGHBEMQAKMW-ISKFKSNPSA-N 2 2 392.547 3.877 20 0 GHADLP CC(C)[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)ONC(=O)OC(C)(C)C ZINC001462361426 1070201114 /nfs/dbraw/zinc/20/11/14/1070201114.db2.gz WSOHVAIADKYUHZ-MRXNPFEDSA-N 2 2 380.514 3.504 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC001253152676 1039450939 /nfs/dbraw/zinc/45/09/39/1039450939.db2.gz COVOPCNMRQSURJ-XLIONFOSSA-N 2 2 390.597 3.543 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001253152676 1039450943 /nfs/dbraw/zinc/45/09/43/1039450943.db2.gz COVOPCNMRQSURJ-XLIONFOSSA-N 2 2 390.597 3.543 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H]3O[C@@H](COCC(C)C)CC[C@H]32)ccc1-n1cc[nH+]c1 ZINC001234050535 1039785555 /nfs/dbraw/zinc/78/55/55/1039785555.db2.gz GEIAQBSCJSJVBD-KCZVDYSFSA-N 2 2 399.535 3.675 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H]3O[C@@H](COCC(C)C)CC[C@H]32)ccc1-n1cc[nH+]c1 ZINC001234050535 1039785574 /nfs/dbraw/zinc/78/55/74/1039785574.db2.gz GEIAQBSCJSJVBD-KCZVDYSFSA-N 2 2 399.535 3.675 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)ccc1-n1cc[nH+]c1 ZINC001234057373 1039790703 /nfs/dbraw/zinc/79/07/03/1039790703.db2.gz AFNRFNTUJBXESP-QGZVFWFLSA-N 2 2 385.414 3.812 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)ccc1-n1cc[nH+]c1 ZINC001234057373 1039790722 /nfs/dbraw/zinc/79/07/22/1039790722.db2.gz AFNRFNTUJBXESP-QGZVFWFLSA-N 2 2 385.414 3.812 20 0 GHADLP COc1cc(C[N@H+](C)CCCCNC(=O)OC(C)(C)C)ccc1-n1cc[nH+]c1 ZINC001234074630 1039811503 /nfs/dbraw/zinc/81/15/03/1039811503.db2.gz CJEJTVRCSAFONC-UHFFFAOYSA-N 2 2 388.512 3.618 20 0 GHADLP COc1cc(C[N@@H+](C)CCCCNC(=O)OC(C)(C)C)ccc1-n1cc[nH+]c1 ZINC001234074630 1039811524 /nfs/dbraw/zinc/81/15/24/1039811524.db2.gz CJEJTVRCSAFONC-UHFFFAOYSA-N 2 2 388.512 3.618 20 0 GHADLP Cc1[nH]c(C[NH+]2CCC3(C[C@@H](NC(=O)N(C)C)c4cc(C)ccc43)CC2)c(C)[nH+]1 ZINC001234626092 1040176537 /nfs/dbraw/zinc/17/65/37/1040176537.db2.gz BTZYZZSDKISMIL-HXUWFJFHSA-N 2 2 395.551 3.585 20 0 GHADLP C[N@@H+]1CCC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2Cc2ccccc2)CC1 ZINC001254525244 1040299289 /nfs/dbraw/zinc/29/92/89/1040299289.db2.gz HRQMJOMNXYYUSC-SFTDATJTSA-N 2 2 387.568 3.635 20 0 GHADLP C[N@H+]1CCC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2Cc2ccccc2)CC1 ZINC001254525244 1040299295 /nfs/dbraw/zinc/29/92/95/1040299295.db2.gz HRQMJOMNXYYUSC-SFTDATJTSA-N 2 2 387.568 3.635 20 0 GHADLP C[NH+]1CCC[C@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2Cc2ccccc2)CC1 ZINC001254525244 1040299307 /nfs/dbraw/zinc/29/93/07/1040299307.db2.gz HRQMJOMNXYYUSC-SFTDATJTSA-N 2 2 387.568 3.635 20 0 GHADLP C[NH+]1CCC[C@H]([N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2Cc2ccccc2)CC1 ZINC001254525244 1040299322 /nfs/dbraw/zinc/29/93/22/1040299322.db2.gz HRQMJOMNXYYUSC-SFTDATJTSA-N 2 2 387.568 3.635 20 0 GHADLP Brc1ccc2sc(C[N@@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cc2c1 ZINC001235008845 1040499082 /nfs/dbraw/zinc/49/90/82/1040499082.db2.gz RMJNLZLQDPAENG-GOSISDBHSA-N 2 2 395.366 3.866 20 0 GHADLP Brc1ccc2sc(C[N@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cc2c1 ZINC001235008845 1040499083 /nfs/dbraw/zinc/49/90/83/1040499083.db2.gz RMJNLZLQDPAENG-GOSISDBHSA-N 2 2 395.366 3.866 20 0 GHADLP Fc1ccccc1-c1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c[nH]1 ZINC001235036890 1040528568 /nfs/dbraw/zinc/52/85/68/1040528568.db2.gz ACCRRRUXPDRCFW-OALUTQOASA-N 2 2 376.479 3.780 20 0 GHADLP CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1C[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254842595 1040587512 /nfs/dbraw/zinc/58/75/12/1040587512.db2.gz FJGZIRPUSCEKNG-VQTJNVASSA-N 2 2 385.552 3.817 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(CC2CC2)([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254845648 1040590224 /nfs/dbraw/zinc/59/02/24/1040590224.db2.gz QOODYGFLRUBDOI-IBGZPJMESA-N 2 2 377.573 3.630 20 0 GHADLP Brc1ccc(CC2([NH2+][C@H]3CC4CC[NH+](CC4)C3)CCOCC2)cc1 ZINC001254847821 1040591960 /nfs/dbraw/zinc/59/19/60/1040591960.db2.gz JHANVLVXOADIID-IBGZPJMESA-N 2 2 393.369 3.615 20 0 GHADLP Clc1ccccc1-c1ccccc1C[N@@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001235197590 1040687959 /nfs/dbraw/zinc/68/79/59/1040687959.db2.gz ANUSWPAFNKLOPS-JOCHJYFZSA-N 2 2 386.923 3.588 20 0 GHADLP Clc1ccccc1-c1ccccc1C[N@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001235197590 1040687961 /nfs/dbraw/zinc/68/79/61/1040687961.db2.gz ANUSWPAFNKLOPS-JOCHJYFZSA-N 2 2 386.923 3.588 20 0 GHADLP Cc1c(F)cccc1C[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255107101 1040786629 /nfs/dbraw/zinc/78/66/29/1040786629.db2.gz DBXCKPPYARRMEI-QHCPKHFHSA-N 2 2 381.539 3.963 20 0 GHADLP Cc1c(F)cccc1C[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255107101 1040786641 /nfs/dbraw/zinc/78/66/41/1040786641.db2.gz DBXCKPPYARRMEI-QHCPKHFHSA-N 2 2 381.539 3.963 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2cc(OCC4CC4)ncn2)C3)cc1 ZINC001255134117 1040833789 /nfs/dbraw/zinc/83/37/89/1040833789.db2.gz XQHOWZLTECFVAE-QQFNCUIESA-N 2 2 378.520 3.551 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2cc(OCC4CC4)ncn2)C3)cc1 ZINC001255134117 1040833802 /nfs/dbraw/zinc/83/38/02/1040833802.db2.gz XQHOWZLTECFVAE-QQFNCUIESA-N 2 2 378.520 3.551 20 0 GHADLP O=C(c1ccco1)N1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255148243 1040863088 /nfs/dbraw/zinc/86/30/88/1040863088.db2.gz SMRPJDFQCLEDJS-ZBYYUNFXSA-N 2 2 393.531 3.623 20 0 GHADLP O=C(c1ccco1)N1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255148243 1040863094 /nfs/dbraw/zinc/86/30/94/1040863094.db2.gz SMRPJDFQCLEDJS-ZBYYUNFXSA-N 2 2 393.531 3.623 20 0 GHADLP O=C(c1ccco1)N1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255148243 1040863111 /nfs/dbraw/zinc/86/31/11/1040863111.db2.gz SMRPJDFQCLEDJS-ZBYYUNFXSA-N 2 2 393.531 3.623 20 0 GHADLP O=C(c1ccco1)N1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255148243 1040863118 /nfs/dbraw/zinc/86/31/18/1040863118.db2.gz SMRPJDFQCLEDJS-ZBYYUNFXSA-N 2 2 393.531 3.623 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(Cl)c1 ZINC001235377024 1040888625 /nfs/dbraw/zinc/88/86/25/1040888625.db2.gz LVRJNXRMCDBMAY-KNQAVFIVSA-N 2 2 384.907 3.706 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(Cl)c1 ZINC001235377024 1040888640 /nfs/dbraw/zinc/88/86/40/1040888640.db2.gz LVRJNXRMCDBMAY-KNQAVFIVSA-N 2 2 384.907 3.706 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001255247943 1040925388 /nfs/dbraw/zinc/92/53/88/1040925388.db2.gz HANLGXMGFSHZIU-YDZRNGNQSA-N 2 2 387.524 3.774 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001255247943 1040925389 /nfs/dbraw/zinc/92/53/89/1040925389.db2.gz HANLGXMGFSHZIU-YDZRNGNQSA-N 2 2 387.524 3.774 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H](F)[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255382552 1040973103 /nfs/dbraw/zinc/97/31/03/1040973103.db2.gz VWVKIWSWFAVPHO-AQNXPRMDSA-N 2 2 391.531 3.588 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H](F)[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255382552 1040973104 /nfs/dbraw/zinc/97/31/04/1040973104.db2.gz VWVKIWSWFAVPHO-AQNXPRMDSA-N 2 2 391.531 3.588 20 0 GHADLP CCOC(=O)C[C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cccnc1 ZINC001255394565 1040982514 /nfs/dbraw/zinc/98/25/14/1040982514.db2.gz VXZVLUSVFIRNSP-FCHUYYIVSA-N 2 2 381.520 3.720 20 0 GHADLP CCOC(=O)C[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cccnc1 ZINC001255394565 1040982515 /nfs/dbraw/zinc/98/25/15/1040982515.db2.gz VXZVLUSVFIRNSP-FCHUYYIVSA-N 2 2 381.520 3.720 20 0 GHADLP COC1CCC(n2c[nH+]cc2C[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)CC1 ZINC001255454586 1041059121 /nfs/dbraw/zinc/05/91/21/1041059121.db2.gz ZOMLYJRLSPWVSH-VTLFHKLASA-N 2 2 392.503 3.675 20 0 GHADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001255594208 1041152872 /nfs/dbraw/zinc/15/28/72/1041152872.db2.gz OXPDINVHGMXIQO-LJQANCHMSA-N 2 2 391.531 3.698 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC001235691270 1041163678 /nfs/dbraw/zinc/16/36/78/1041163678.db2.gz OCWMNJURSLTEDA-CJNGLKHVSA-N 2 2 392.321 3.602 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@@H](C)CSc3ccc(C)cc3)C2)C1 ZINC001255766361 1041282831 /nfs/dbraw/zinc/28/28/31/1041282831.db2.gz QQMHDYZZYQLNHO-UNMCSNQZSA-N 2 2 392.609 3.536 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+]([C@@H](C)CSc3ccc(C)cc3)C2)C1 ZINC001255766361 1041282841 /nfs/dbraw/zinc/28/28/41/1041282841.db2.gz QQMHDYZZYQLNHO-UNMCSNQZSA-N 2 2 392.609 3.536 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H](C)CSc3ccc(C)cc3)C2)C1 ZINC001255766361 1041282853 /nfs/dbraw/zinc/28/28/53/1041282853.db2.gz QQMHDYZZYQLNHO-UNMCSNQZSA-N 2 2 392.609 3.536 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H](C)CSc3ccc(C)cc3)C2)C1 ZINC001255766361 1041282863 /nfs/dbraw/zinc/28/28/63/1041282863.db2.gz QQMHDYZZYQLNHO-UNMCSNQZSA-N 2 2 392.609 3.536 20 0 GHADLP CC1([NH+]2CCN(Cc3cc(Cl)ccc3C(F)(F)F)CC2)CC[NH2+]CC1 ZINC001235815582 1041330441 /nfs/dbraw/zinc/33/04/41/1041330441.db2.gz MJFHFYRYLFCKND-UHFFFAOYSA-N 2 2 375.866 3.619 20 0 GHADLP CC1([NH+]2CCN(Cc3c(F)cccc3Oc3ccccc3)CC2)CC[NH2+]CC1 ZINC001235821269 1041339298 /nfs/dbraw/zinc/33/92/98/1041339298.db2.gz GAUFXEGJAWZYFR-UHFFFAOYSA-N 2 2 383.511 3.878 20 0 GHADLP Cc1nc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)ccc1Br ZINC001278889631 1041341083 /nfs/dbraw/zinc/34/10/83/1041341083.db2.gz BAKXNEPBJKEIEM-UHFFFAOYSA-N 2 2 389.341 3.579 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@H](C)Cc3ccc(F)cc3)CC2)cc1 ZINC001255864616 1041355772 /nfs/dbraw/zinc/35/57/72/1041355772.db2.gz IJVULDXUBZGJKM-QGZVFWFLSA-N 2 2 384.495 3.798 20 0 GHADLP Brc1cc(CN2CC[NH2+][C@@H](c3ccccc3)C2)ccc1-n1cc[nH+]c1 ZINC001235858763 1041387019 /nfs/dbraw/zinc/38/70/19/1041387019.db2.gz ZOKAVOOZOBBVPV-LJQANCHMSA-N 2 2 397.320 3.781 20 0 GHADLP CCOC(=O)c1ccc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)nc1 ZINC001235873160 1041406814 /nfs/dbraw/zinc/40/68/14/1041406814.db2.gz NHDGQFMEQJWKMJ-KKSHJYNMSA-N 2 2 395.547 3.653 20 0 GHADLP CCOC(=O)c1ccc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)nc1 ZINC001235873160 1041406819 /nfs/dbraw/zinc/40/68/19/1041406819.db2.gz NHDGQFMEQJWKMJ-KKSHJYNMSA-N 2 2 395.547 3.653 20 0 GHADLP CCOC(=O)c1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)nc1 ZINC001235873160 1041406825 /nfs/dbraw/zinc/40/68/25/1041406825.db2.gz NHDGQFMEQJWKMJ-KKSHJYNMSA-N 2 2 395.547 3.653 20 0 GHADLP CCOC(=O)c1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)nc1 ZINC001235873160 1041406844 /nfs/dbraw/zinc/40/68/44/1041406844.db2.gz NHDGQFMEQJWKMJ-KKSHJYNMSA-N 2 2 395.547 3.653 20 0 GHADLP [NH3+]CCC1C[NH+](Cc2c(Br)ccc(OCc3ccccc3)c2F)C1 ZINC001235919126 1041430070 /nfs/dbraw/zinc/43/00/70/1041430070.db2.gz UNMWXWRLMZBFNV-UHFFFAOYSA-N 2 2 393.300 3.948 20 0 GHADLP COc1ccc(Br)c2nc(Cl)c(C[N@@H+]3CCC[C@H]3CC[NH3+])cc12 ZINC001235925657 1041433210 /nfs/dbraw/zinc/43/32/10/1041433210.db2.gz NXRAAVVLRUEDIY-LBPRGKRZSA-N 2 2 398.732 3.973 20 0 GHADLP COc1ccc(Br)c2nc(Cl)c(C[N@H+]3CCC[C@H]3CC[NH3+])cc12 ZINC001235925657 1041433219 /nfs/dbraw/zinc/43/32/19/1041433219.db2.gz NXRAAVVLRUEDIY-LBPRGKRZSA-N 2 2 398.732 3.973 20 0 GHADLP Fc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc(OC(F)(F)F)c1 ZINC001236008324 1041500632 /nfs/dbraw/zinc/50/06/32/1041500632.db2.gz FOSUYUZFHSLGPP-APWZRJJASA-N 2 2 380.385 3.697 20 0 GHADLP Fc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc(OC(F)(F)F)c1 ZINC001236008324 1041500645 /nfs/dbraw/zinc/50/06/45/1041500645.db2.gz FOSUYUZFHSLGPP-APWZRJJASA-N 2 2 380.385 3.697 20 0 GHADLP Brc1ccc(Br)c(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1 ZINC001236010648 1041501393 /nfs/dbraw/zinc/50/13/93/1041501393.db2.gz WIHKIQFMNGQPPI-UHFFFAOYSA-N 2 2 388.147 3.787 20 0 GHADLP C[NH+]1CCN(C(=O)c2cccc(-c3cccc(C[NH+]4CCCCC4)c3F)c2)CC1 ZINC001236016962 1041509006 /nfs/dbraw/zinc/50/90/06/1041509006.db2.gz JOXYBBYSVNLHGB-UHFFFAOYSA-N 2 2 395.522 3.866 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214605 1041624003 /nfs/dbraw/zinc/62/40/03/1041624003.db2.gz SKVIHUDKYZDYDS-DNVCBOLYSA-N 3 2 385.930 3.727 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214605 1041624006 /nfs/dbraw/zinc/62/40/06/1041624006.db2.gz SKVIHUDKYZDYDS-DNVCBOLYSA-N 3 2 385.930 3.727 20 0 GHADLP C[C@@H]1CNCC(F)(F)[C@@H]1C[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214605 1041624012 /nfs/dbraw/zinc/62/40/12/1041624012.db2.gz SKVIHUDKYZDYDS-DNVCBOLYSA-N 2 2 385.930 3.727 20 0 GHADLP C[C@@H]1CNCC(F)(F)[C@@H]1C[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214605 1041624015 /nfs/dbraw/zinc/62/40/15/1041624015.db2.gz SKVIHUDKYZDYDS-DNVCBOLYSA-N 2 2 385.930 3.727 20 0 GHADLP C[N@H+](Cc1cc(Br)cc(Br)c1F)C1(C)CC[NH2+]CC1 ZINC001236227584 1041633375 /nfs/dbraw/zinc/63/33/75/1041633375.db2.gz HSUDBTBSGVOWST-UHFFFAOYSA-N 2 2 394.126 3.925 20 0 GHADLP C[N@@H+](Cc1cc(Br)cc(Br)c1F)C1(C)CC[NH2+]CC1 ZINC001236227584 1041633377 /nfs/dbraw/zinc/63/33/77/1041633377.db2.gz HSUDBTBSGVOWST-UHFFFAOYSA-N 2 2 394.126 3.925 20 0 GHADLP COc1ccc(C[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C2CC[NH2+]CC2)cc1 ZINC001236448009 1041716904 /nfs/dbraw/zinc/71/69/04/1041716904.db2.gz VTISSWIEDBBFOO-UHFFFAOYSA-N 3 2 385.527 3.650 20 0 GHADLP COc1ccc(C[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C2CC[NH2+]CC2)cc1 ZINC001236448009 1041716910 /nfs/dbraw/zinc/71/69/10/1041716910.db2.gz VTISSWIEDBBFOO-UHFFFAOYSA-N 3 2 385.527 3.650 20 0 GHADLP COC(=O)[C@H]1CC[C@H](C[N@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001236493712 1041739125 /nfs/dbraw/zinc/73/91/25/1041739125.db2.gz CSIZGEPJMXSOKG-SHTZXODSSA-N 2 2 398.469 3.637 20 0 GHADLP COC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001236493712 1041739132 /nfs/dbraw/zinc/73/91/32/1041739132.db2.gz CSIZGEPJMXSOKG-SHTZXODSSA-N 2 2 398.469 3.637 20 0 GHADLP CCOC(=O)Cc1ccc(C[N@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)cc1 ZINC001236497584 1041740454 /nfs/dbraw/zinc/74/04/54/1041740454.db2.gz ZJKQEUKAELDZIQ-UHFFFAOYSA-N 2 2 398.522 3.994 20 0 GHADLP CCOC(=O)Cc1ccc(C[N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)cc1 ZINC001236497584 1041740462 /nfs/dbraw/zinc/74/04/62/1041740462.db2.gz ZJKQEUKAELDZIQ-UHFFFAOYSA-N 2 2 398.522 3.994 20 0 GHADLP FC(F)(F)c1cc(O[C@@H]2CCC[N@H+](CCC[NH2+]C3CCCCC3)C2)ncn1 ZINC001236537266 1041755295 /nfs/dbraw/zinc/75/52/95/1041755295.db2.gz UIAIIRRYRQBCTL-MRXNPFEDSA-N 2 2 386.462 3.651 20 0 GHADLP FC(F)(F)c1cc(O[C@@H]2CCC[N@@H+](CCC[NH2+]C3CCCCC3)C2)ncn1 ZINC001236537266 1041755299 /nfs/dbraw/zinc/75/52/99/1041755299.db2.gz UIAIIRRYRQBCTL-MRXNPFEDSA-N 2 2 386.462 3.651 20 0 GHADLP COC(=O)c1cc(F)cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c1 ZINC001236775104 1041885703 /nfs/dbraw/zinc/88/57/03/1041885703.db2.gz GMQNDPMQSQYKFH-UHFFFAOYSA-N 2 2 393.462 3.791 20 0 GHADLP COc1cc(O[C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)ccn1 ZINC001236907190 1041951010 /nfs/dbraw/zinc/95/10/10/1041951010.db2.gz ADFSXXNMORNBTN-QGZVFWFLSA-N 2 2 384.867 3.583 20 0 GHADLP COc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)ccn1 ZINC001236907190 1041951013 /nfs/dbraw/zinc/95/10/13/1041951013.db2.gz ADFSXXNMORNBTN-QGZVFWFLSA-N 2 2 384.867 3.583 20 0 GHADLP CCN(CC)C(=O)NC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236911284 1041953354 /nfs/dbraw/zinc/95/33/54/1041953354.db2.gz YHGIBKBKPULHMR-UHFFFAOYSA-N 2 2 389.931 3.542 20 0 GHADLP CC[N@H+](Cc1ccc(-n2cccn2)c(Br)c1)C1CC[NH+](C)CC1 ZINC001236913480 1041954689 /nfs/dbraw/zinc/95/46/89/1041954689.db2.gz ZCVAAKYIXJAVFR-UHFFFAOYSA-N 2 2 377.330 3.551 20 0 GHADLP CC[N@@H+](Cc1ccc(-n2cccn2)c(Br)c1)C1CC[NH+](C)CC1 ZINC001236913480 1041954696 /nfs/dbraw/zinc/95/46/96/1041954696.db2.gz ZCVAAKYIXJAVFR-UHFFFAOYSA-N 2 2 377.330 3.551 20 0 GHADLP Brc1ccc2[nH]nc(C[NH+]3CCC(CC4CC[NH2+]CC4)CC3)c2c1 ZINC001236962063 1041970849 /nfs/dbraw/zinc/97/08/49/1041970849.db2.gz TWVPYLDHHUGVQG-UHFFFAOYSA-N 2 2 391.357 3.927 20 0 GHADLP Fc1ccccc1-c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cn1 ZINC001236988107 1041979196 /nfs/dbraw/zinc/97/91/96/1041979196.db2.gz FBGQNJXMMQRERJ-BGYRXZFFSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cn1 ZINC001236988107 1041979202 /nfs/dbraw/zinc/97/92/02/1041979202.db2.gz FBGQNJXMMQRERJ-BGYRXZFFSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccccc1-c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cn1 ZINC001236988107 1041979204 /nfs/dbraw/zinc/97/92/04/1041979204.db2.gz FBGQNJXMMQRERJ-BGYRXZFFSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccccc1-c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cn1 ZINC001236988107 1041979208 /nfs/dbraw/zinc/97/92/08/1041979208.db2.gz FBGQNJXMMQRERJ-BGYRXZFFSA-N 2 2 388.490 3.847 20 0 GHADLP FC(F)(F)[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001237016470 1041992442 /nfs/dbraw/zinc/99/24/42/1041992442.db2.gz RVCKXNZXMVGACA-FQEVSTJZSA-N 2 2 375.438 3.539 20 0 GHADLP FC(F)(F)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001237016470 1041992443 /nfs/dbraw/zinc/99/24/43/1041992443.db2.gz RVCKXNZXMVGACA-FQEVSTJZSA-N 2 2 375.438 3.539 20 0 GHADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(NC(=O)OC(C)(C)C)c(F)c3)C[C@@H]2C1 ZINC001237043282 1042003009 /nfs/dbraw/zinc/00/30/09/1042003009.db2.gz DIQHYKJPRSWMNA-IRXDYDNUSA-N 2 2 377.504 3.946 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(F)c(N4CCCC4)c3)C2)C1 ZINC001237099118 1042034967 /nfs/dbraw/zinc/03/49/67/1042034967.db2.gz PTUQRBWAMNESRD-QHCPKHFHSA-N 2 2 389.559 3.749 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(F)c(N4CCCC4)c3)C2)C1 ZINC001237099118 1042034968 /nfs/dbraw/zinc/03/49/68/1042034968.db2.gz PTUQRBWAMNESRD-QHCPKHFHSA-N 2 2 389.559 3.749 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(F)c(N4CCCC4)c3)C2)C1 ZINC001237099118 1042034975 /nfs/dbraw/zinc/03/49/75/1042034975.db2.gz PTUQRBWAMNESRD-QHCPKHFHSA-N 2 2 389.559 3.749 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(F)c(N4CCCC4)c3)C2)C1 ZINC001237099118 1042034983 /nfs/dbraw/zinc/03/49/83/1042034983.db2.gz PTUQRBWAMNESRD-QHCPKHFHSA-N 2 2 389.559 3.749 20 0 GHADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001237439194 1042207569 /nfs/dbraw/zinc/20/75/69/1042207569.db2.gz YYHWALUUQCAFFS-ZWKOTPCHSA-N 2 2 389.544 3.662 20 0 GHADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001237439194 1042207574 /nfs/dbraw/zinc/20/75/74/1042207574.db2.gz YYHWALUUQCAFFS-ZWKOTPCHSA-N 2 2 389.544 3.662 20 0 GHADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001237439194 1042207576 /nfs/dbraw/zinc/20/75/76/1042207576.db2.gz YYHWALUUQCAFFS-ZWKOTPCHSA-N 2 2 389.544 3.662 20 0 GHADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001237439194 1042207583 /nfs/dbraw/zinc/20/75/83/1042207583.db2.gz YYHWALUUQCAFFS-ZWKOTPCHSA-N 2 2 389.544 3.662 20 0 GHADLP C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CCCC[NH2+]2)CC1 ZINC001237461386 1042218166 /nfs/dbraw/zinc/21/81/66/1042218166.db2.gz FUENYQDXASMDGQ-VQIMIIECSA-N 2 2 380.374 3.660 20 0 GHADLP CCOC(=O)Cc1ccc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001237477647 1042225335 /nfs/dbraw/zinc/22/53/35/1042225335.db2.gz HPGRRWRIPHPWEK-UHFFFAOYSA-N 2 2 392.543 3.815 20 0 GHADLP CCOC(=O)Cc1ccc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001237477647 1042225339 /nfs/dbraw/zinc/22/53/39/1042225339.db2.gz HPGRRWRIPHPWEK-UHFFFAOYSA-N 2 2 392.543 3.815 20 0 GHADLP CCOC[C@@H]1C[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)Cc2cnn(C)c21 ZINC001237876493 1042404764 /nfs/dbraw/zinc/40/47/64/1042404764.db2.gz HBTGWYJUODDXGT-FQEVSTJZSA-N 2 2 380.536 3.557 20 0 GHADLP CCOC[C@@H]1C[N@@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)Cc2cnn(C)c21 ZINC001237876493 1042404766 /nfs/dbraw/zinc/40/47/66/1042404766.db2.gz HBTGWYJUODDXGT-FQEVSTJZSA-N 2 2 380.536 3.557 20 0 GHADLP c1ncc(C2CC2)cc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001238184695 1042512166 /nfs/dbraw/zinc/51/21/66/1042512166.db2.gz KLDIVVJELUKCPR-RPBOFIJWSA-N 2 2 395.591 3.920 20 0 GHADLP c1ncc(C2CC2)cc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001238184695 1042512170 /nfs/dbraw/zinc/51/21/70/1042512170.db2.gz KLDIVVJELUKCPR-RPBOFIJWSA-N 2 2 395.591 3.920 20 0 GHADLP c1ncc(C2CC2)cc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001238184695 1042512172 /nfs/dbraw/zinc/51/21/72/1042512172.db2.gz KLDIVVJELUKCPR-RPBOFIJWSA-N 2 2 395.591 3.920 20 0 GHADLP c1ncc(C2CC2)cc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001238184695 1042512175 /nfs/dbraw/zinc/51/21/75/1042512175.db2.gz KLDIVVJELUKCPR-RPBOFIJWSA-N 2 2 395.591 3.920 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)ncc1Cl ZINC001238421587 1042591265 /nfs/dbraw/zinc/59/12/65/1042591265.db2.gz XFHXEWLGZRPNJX-UHFFFAOYSA-N 2 2 385.939 3.910 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)ncc1Cl ZINC001238421587 1042591268 /nfs/dbraw/zinc/59/12/68/1042591268.db2.gz XFHXEWLGZRPNJX-UHFFFAOYSA-N 2 2 385.939 3.910 20 0 GHADLP CC(C)Oc1cncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001238465230 1042605868 /nfs/dbraw/zinc/60/58/68/1042605868.db2.gz JBBCREMICCCKIV-TUACAJSNSA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1cncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001238465230 1042605872 /nfs/dbraw/zinc/60/58/72/1042605872.db2.gz JBBCREMICCCKIV-TUACAJSNSA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1cncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001238465230 1042605877 /nfs/dbraw/zinc/60/58/77/1042605877.db2.gz JBBCREMICCCKIV-TUACAJSNSA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1cncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001238465230 1042605881 /nfs/dbraw/zinc/60/58/81/1042605881.db2.gz JBBCREMICCCKIV-TUACAJSNSA-N 2 2 394.563 3.996 20 0 GHADLP COc1cc(C)cc(F)c1C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001238584494 1042646850 /nfs/dbraw/zinc/64/68/50/1042646850.db2.gz MUBKWRDGXPNTEM-UHFFFAOYSA-N 2 2 386.515 3.507 20 0 GHADLP COc1cc(C)cc(F)c1C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001238584494 1042646853 /nfs/dbraw/zinc/64/68/53/1042646853.db2.gz MUBKWRDGXPNTEM-UHFFFAOYSA-N 2 2 386.515 3.507 20 0 GHADLP Cc1cc(C[N@H+](C)CCN2CC[NH+](C)CC2)c(OCc2ccccc2)cc1C ZINC001238761298 1042717856 /nfs/dbraw/zinc/71/78/56/1042717856.db2.gz BRMVHLKQBBKZDB-UHFFFAOYSA-N 2 2 381.564 3.562 20 0 GHADLP Cc1cc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c(OCc2ccccc2)cc1C ZINC001238761298 1042717862 /nfs/dbraw/zinc/71/78/62/1042717862.db2.gz BRMVHLKQBBKZDB-UHFFFAOYSA-N 2 2 381.564 3.562 20 0 GHADLP O=C(NCc1ccccc1)c1cccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001240076757 1042883107 /nfs/dbraw/zinc/88/31/07/1042883107.db2.gz YAKWYYXTHVWAJT-UHFFFAOYSA-N 2 2 382.467 3.618 20 0 GHADLP CC[NH+](CC)CCn1c(NCc2ccc(/C=C\C(=O)OC)o2)[nH+]c2ccccc21 ZINC001462691677 1070474696 /nfs/dbraw/zinc/47/46/96/1070474696.db2.gz UTPHQRHFDSAIOG-SEYXRHQNSA-N 2 2 396.491 3.769 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(N3CCCCC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256534577 1043470199 /nfs/dbraw/zinc/47/01/99/1043470199.db2.gz SGMMUPWXEGLLMP-UGKGYDQZSA-N 2 2 392.547 3.741 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(N3CCCCC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC001256534577 1043470218 /nfs/dbraw/zinc/47/02/18/1043470218.db2.gz SGMMUPWXEGLLMP-UGKGYDQZSA-N 2 2 392.547 3.741 20 0 GHADLP CC(C)Oc1ncnc2c1CC[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256539150 1043486450 /nfs/dbraw/zinc/48/64/50/1043486450.db2.gz BIQCBXUZQUDSHQ-TZIWHRDSSA-N 2 2 394.563 3.718 20 0 GHADLP CC(C)Oc1ncnc2c1CC[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256539150 1043486464 /nfs/dbraw/zinc/48/64/64/1043486464.db2.gz BIQCBXUZQUDSHQ-TZIWHRDSSA-N 2 2 394.563 3.718 20 0 GHADLP CC(C)Oc1ncnc2c1CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256539150 1043486469 /nfs/dbraw/zinc/48/64/69/1043486469.db2.gz BIQCBXUZQUDSHQ-TZIWHRDSSA-N 2 2 394.563 3.718 20 0 GHADLP CC(C)Oc1ncnc2c1CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256539150 1043486471 /nfs/dbraw/zinc/48/64/71/1043486471.db2.gz BIQCBXUZQUDSHQ-TZIWHRDSSA-N 2 2 394.563 3.718 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256543207 1043495742 /nfs/dbraw/zinc/49/57/42/1043495742.db2.gz RZXSAYATGGWPKL-FPOVZHCZSA-N 2 2 399.579 3.982 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001256543207 1043495754 /nfs/dbraw/zinc/49/57/54/1043495754.db2.gz RZXSAYATGGWPKL-FPOVZHCZSA-N 2 2 399.579 3.982 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256542332 1043495861 /nfs/dbraw/zinc/49/58/61/1043495861.db2.gz OLQKSDXMVQXFEI-YSHGAJCASA-N 2 2 388.449 3.767 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256542332 1043495870 /nfs/dbraw/zinc/49/58/70/1043495870.db2.gz OLQKSDXMVQXFEI-YSHGAJCASA-N 2 2 388.449 3.767 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)CC[NH+]1Cc1ccccc1 ZINC001256542332 1043495882 /nfs/dbraw/zinc/49/58/82/1043495882.db2.gz OLQKSDXMVQXFEI-YSHGAJCASA-N 2 2 388.449 3.767 20 0 GHADLP C[C@@H]1C[C@H]([N@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)CC[NH+]1Cc1ccccc1 ZINC001256542332 1043495888 /nfs/dbraw/zinc/49/58/88/1043495888.db2.gz OLQKSDXMVQXFEI-YSHGAJCASA-N 2 2 388.449 3.767 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCC[C@]3(CCN(CC4CC4)C3=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256545576 1043503510 /nfs/dbraw/zinc/50/35/10/1043503510.db2.gz GCCGZOROVLCICB-XRODADMRSA-N 2 2 395.591 3.764 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCC[C@]3(CCN(CC4CC4)C3=O)C2)CC[N@H+]1Cc1ccccc1 ZINC001256545576 1043503523 /nfs/dbraw/zinc/50/35/23/1043503523.db2.gz GCCGZOROVLCICB-XRODADMRSA-N 2 2 395.591 3.764 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@]3(CCN(CC4CC4)C3=O)C2)CC[NH+]1Cc1ccccc1 ZINC001256545576 1043503532 /nfs/dbraw/zinc/50/35/32/1043503532.db2.gz GCCGZOROVLCICB-XRODADMRSA-N 2 2 395.591 3.764 20 0 GHADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CCN(CC4CC4)C3=O)C2)CC[NH+]1Cc1ccccc1 ZINC001256545576 1043503546 /nfs/dbraw/zinc/50/35/46/1043503546.db2.gz GCCGZOROVLCICB-XRODADMRSA-N 2 2 395.591 3.764 20 0 GHADLP COC[C@@H]1COCCC12CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256546438 1043508191 /nfs/dbraw/zinc/50/81/91/1043508191.db2.gz LOICNEDQBLVKGX-WWNPGLIZSA-N 2 2 386.580 3.805 20 0 GHADLP COC[C@@H]1COCCC12CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256546438 1043508210 /nfs/dbraw/zinc/50/82/10/1043508210.db2.gz LOICNEDQBLVKGX-WWNPGLIZSA-N 2 2 386.580 3.805 20 0 GHADLP COC(=O)c1ccc(C2C[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)cc1 ZINC001256552881 1043518818 /nfs/dbraw/zinc/51/88/18/1043518818.db2.gz CXTYWCKQWMMKFQ-WZONZLPQSA-N 2 2 378.516 3.926 20 0 GHADLP COC(=O)c1ccc(C2C[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)cc1 ZINC001256552881 1043518825 /nfs/dbraw/zinc/51/88/25/1043518825.db2.gz CXTYWCKQWMMKFQ-WZONZLPQSA-N 2 2 378.516 3.926 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCN(c3cc(Cl)ccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256553655 1043522632 /nfs/dbraw/zinc/52/26/32/1043522632.db2.gz ISSAKMZBSIOKQE-NQIIRXRSSA-N 2 2 384.955 3.910 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCN(c3cc(Cl)ccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256553655 1043522642 /nfs/dbraw/zinc/52/26/42/1043522642.db2.gz ISSAKMZBSIOKQE-NQIIRXRSSA-N 2 2 384.955 3.910 20 0 GHADLP COc1ccnc(O[C@@H]2CC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001256558404 1043530941 /nfs/dbraw/zinc/53/09/41/1043530941.db2.gz RSMDTEOFPLPUQO-CZTZKLFOSA-N 2 2 381.520 3.596 20 0 GHADLP COc1ccnc(O[C@@H]2CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001256558404 1043530944 /nfs/dbraw/zinc/53/09/44/1043530944.db2.gz RSMDTEOFPLPUQO-CZTZKLFOSA-N 2 2 381.520 3.596 20 0 GHADLP COc1ccnc(O[C@@H]2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001256558404 1043530951 /nfs/dbraw/zinc/53/09/51/1043530951.db2.gz RSMDTEOFPLPUQO-CZTZKLFOSA-N 2 2 381.520 3.596 20 0 GHADLP COc1ccnc(O[C@@H]2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001256558404 1043530956 /nfs/dbraw/zinc/53/09/56/1043530956.db2.gz RSMDTEOFPLPUQO-CZTZKLFOSA-N 2 2 381.520 3.596 20 0 GHADLP CC(C)(C)[NH+]1CCC(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)CC1 ZINC001256577295 1043549287 /nfs/dbraw/zinc/54/92/87/1043549287.db2.gz IAFUXUDFZIKKSO-LJQANCHMSA-N 2 2 383.502 3.998 20 0 GHADLP CC(C)(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)CC1 ZINC001256577295 1043549297 /nfs/dbraw/zinc/54/92/97/1043549297.db2.gz IAFUXUDFZIKKSO-LJQANCHMSA-N 2 2 383.502 3.998 20 0 GHADLP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C2C[C@H]4CC[C@@H](C2)[NH+]4C)CC3)c1 ZINC001256622445 1043580763 /nfs/dbraw/zinc/58/07/63/1043580763.db2.gz JCYMVCYPOQTUGS-CBQGHPETSA-N 3 2 383.580 3.608 20 0 GHADLP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C2C[C@H]4CC[C@@H](C2)[NH+]4C)CC3)c1 ZINC001256622445 1043580765 /nfs/dbraw/zinc/58/07/65/1043580765.db2.gz JCYMVCYPOQTUGS-CBQGHPETSA-N 3 2 383.580 3.608 20 0 GHADLP COc1cccc(C[NH+]2CCC3(C2)CC[NH+](C2C[C@H]4CC[C@@H](C2)[N@H+]4C)CC3)c1 ZINC001256622445 1043580767 /nfs/dbraw/zinc/58/07/67/1043580767.db2.gz JCYMVCYPOQTUGS-CBQGHPETSA-N 3 2 383.580 3.608 20 0 GHADLP COc1cccc(C[NH+]2CCC3(C2)CC[NH+](C2C[C@H]4CC[C@@H](C2)[N@@H+]4C)CC3)c1 ZINC001256622445 1043580772 /nfs/dbraw/zinc/58/07/72/1043580772.db2.gz JCYMVCYPOQTUGS-CBQGHPETSA-N 3 2 383.580 3.608 20 0 GHADLP C[C@H](Cc1ccncc1)[NH2+]C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001256723775 1043637463 /nfs/dbraw/zinc/63/74/63/1043637463.db2.gz GGHHAIMBZOEEMB-PXDATVDWSA-N 2 2 389.543 3.666 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)cs1 ZINC001256790075 1043653524 /nfs/dbraw/zinc/65/35/24/1043653524.db2.gz PGDWYVWSSJVUMN-HKUYNNGSSA-N 2 2 391.606 3.948 20 0 GHADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256852779 1043702612 /nfs/dbraw/zinc/70/26/12/1043702612.db2.gz GVUJMXDOADKPQI-UHFFFAOYSA-N 3 2 382.527 3.752 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C2(CC2)C1 ZINC001256908956 1043734399 /nfs/dbraw/zinc/73/43/99/1043734399.db2.gz PFYSSYJVFBLRJT-IEBWSBKVSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C2(CC2)C1 ZINC001256908956 1043734411 /nfs/dbraw/zinc/73/44/11/1043734411.db2.gz PFYSSYJVFBLRJT-IEBWSBKVSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CC([C@@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C2CC2)C1 ZINC001256911121 1043736107 /nfs/dbraw/zinc/73/61/07/1043736107.db2.gz JOPZCPJQMVQAMF-ICSRJNTNSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1CC([C@@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C2CC2)C1 ZINC001256911121 1043736116 /nfs/dbraw/zinc/73/61/16/1043736116.db2.gz JOPZCPJQMVQAMF-ICSRJNTNSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)[C@H]([NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001256911043 1043737334 /nfs/dbraw/zinc/73/73/34/1043737334.db2.gz IBQKTRZYGUHNDI-ICSRJNTNSA-N 2 2 379.589 3.875 20 0 GHADLP CC(C)[C@H]([NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001256911043 1043737344 /nfs/dbraw/zinc/73/73/44/1043737344.db2.gz IBQKTRZYGUHNDI-ICSRJNTNSA-N 2 2 379.589 3.875 20 0 GHADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccnc(Br)c1)Cc1ccccc12 ZINC001278980801 1043778946 /nfs/dbraw/zinc/77/89/46/1043778946.db2.gz JRTXCMUBQBOMOR-UHFFFAOYSA-N 2 2 386.337 3.823 20 0 GHADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccnc(Br)c1)Cc1ccccc12 ZINC001278980801 1043778957 /nfs/dbraw/zinc/77/89/57/1043778957.db2.gz JRTXCMUBQBOMOR-UHFFFAOYSA-N 2 2 386.337 3.823 20 0 GHADLP COC(=O)CC1CCC([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)CC1 ZINC001256979083 1043781526 /nfs/dbraw/zinc/78/15/26/1043781526.db2.gz INABAHXUMDENIL-UHFFFAOYSA-N 2 2 376.516 3.810 20 0 GHADLP CC(C)[C@@H]1C[C@@H]([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257187916 1043926644 /nfs/dbraw/zinc/92/66/44/1043926644.db2.gz SLPSWKFMOXETRK-ACRUOGEOSA-N 2 2 387.568 3.796 20 0 GHADLP CC(C)[C@@H]1C[C@@H]([N@H+]2Cc3ccccc3C[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257187916 1043926650 /nfs/dbraw/zinc/92/66/50/1043926650.db2.gz SLPSWKFMOXETRK-ACRUOGEOSA-N 2 2 387.568 3.796 20 0 GHADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001257188794 1043927450 /nfs/dbraw/zinc/92/74/50/1043927450.db2.gz QXMNUYHMNMJSED-AABGKKOBSA-N 2 2 379.589 3.875 20 0 GHADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001257188794 1043927456 /nfs/dbraw/zinc/92/74/56/1043927456.db2.gz QXMNUYHMNMJSED-AABGKKOBSA-N 2 2 379.589 3.875 20 0 GHADLP CC(C)[NH+]1CCC([NH+]2CCC([NH3+])(Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC001257212312 1043938920 /nfs/dbraw/zinc/93/89/20/1043938920.db2.gz QNXDJZUDLSZLOJ-UHFFFAOYSA-N 3 2 383.502 3.914 20 0 GHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257753215 1044142892 /nfs/dbraw/zinc/14/28/92/1044142892.db2.gz VCBMKVLLOVZMQW-SFHVURJKSA-N 2 2 379.589 3.876 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC001257754932 1044144148 /nfs/dbraw/zinc/14/41/48/1044144148.db2.gz CDNNRIRVLHIVBK-GOSISDBHSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)CC2 ZINC001257754932 1044144151 /nfs/dbraw/zinc/14/41/51/1044144151.db2.gz CDNNRIRVLHIVBK-GOSISDBHSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H](n2cc[nH+]c2CC[NH3+])C[C@H]1Cc1ccccc1 ZINC001257973469 1044295965 /nfs/dbraw/zinc/29/59/65/1044295965.db2.gz LYSAKLFPGVTCHS-RBUKOAKNSA-N 2 2 384.524 3.568 20 0 GHADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257974617 1044297864 /nfs/dbraw/zinc/29/78/64/1044297864.db2.gz YDJZASVUNQUDOU-ACRUOGEOSA-N 2 2 387.568 3.681 20 0 GHADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257974617 1044297878 /nfs/dbraw/zinc/29/78/78/1044297878.db2.gz YDJZASVUNQUDOU-ACRUOGEOSA-N 2 2 387.568 3.681 20 0 GHADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257974619 1044299035 /nfs/dbraw/zinc/29/90/35/1044299035.db2.gz YDJZASVUNQUDOU-HKBOAZHASA-N 2 2 387.568 3.681 20 0 GHADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257974619 1044299052 /nfs/dbraw/zinc/29/90/52/1044299052.db2.gz YDJZASVUNQUDOU-HKBOAZHASA-N 2 2 387.568 3.681 20 0 GHADLP CCOC(=O)CC1CCC([NH2+]CCSCc2csc(C[NH+](C)C)n2)CC1 ZINC001258024697 1044351538 /nfs/dbraw/zinc/35/15/38/1044351538.db2.gz GWHVYGPGKVXCRV-UHFFFAOYSA-N 2 2 399.626 3.540 20 0 GHADLP CCOC(=O)CC1CCC([N@@H+]2CC[C@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001258033117 1044359135 /nfs/dbraw/zinc/35/91/35/1044359135.db2.gz SFFATQDOVCHHEZ-JEVOJNTISA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)CC1CCC([N@H+]2CC[C@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001258033117 1044359153 /nfs/dbraw/zinc/35/91/53/1044359153.db2.gz SFFATQDOVCHHEZ-JEVOJNTISA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)CC1CCC([NH+]2CC[C@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)CC1 ZINC001258033117 1044359166 /nfs/dbraw/zinc/35/91/66/1044359166.db2.gz SFFATQDOVCHHEZ-JEVOJNTISA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)CC1CCC([NH+]2CC[C@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001258033117 1044359180 /nfs/dbraw/zinc/35/91/80/1044359180.db2.gz SFFATQDOVCHHEZ-JEVOJNTISA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)CCC[C@@H](C)[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001258125095 1044413634 /nfs/dbraw/zinc/41/36/34/1044413634.db2.gz VUZPXWBMMFNSGL-GOSISDBHSA-N 2 2 399.535 3.787 20 0 GHADLP CCOC(=O)CCC[C@@H](C)[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001258125095 1044413642 /nfs/dbraw/zinc/41/36/42/1044413642.db2.gz VUZPXWBMMFNSGL-GOSISDBHSA-N 2 2 399.535 3.787 20 0 GHADLP CCOC(=O)CCC[C@@H](C)[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001258125095 1044413652 /nfs/dbraw/zinc/41/36/52/1044413652.db2.gz VUZPXWBMMFNSGL-GOSISDBHSA-N 2 2 399.535 3.787 20 0 GHADLP CCOC(=O)CCC[C@@H](C)[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001258125095 1044413658 /nfs/dbraw/zinc/41/36/58/1044413658.db2.gz VUZPXWBMMFNSGL-GOSISDBHSA-N 2 2 399.535 3.787 20 0 GHADLP CCOC(=O)C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC001258135507 1044419684 /nfs/dbraw/zinc/41/96/84/1044419684.db2.gz LSRMVXCQLIPHPG-HSZRJFAPSA-N 2 2 380.532 3.978 20 0 GHADLP CCOC(=O)C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(O)c1 ZINC001258135768 1044421068 /nfs/dbraw/zinc/42/10/68/1044421068.db2.gz CZAJUPIMLKGWGG-QHCPKHFHSA-N 2 2 396.531 3.683 20 0 GHADLP O=C1OC2(CC[NH+](C3CC[NH+](CCc4ccccc4)CC3)CC2)c2ccccc21 ZINC001258146411 1044435726 /nfs/dbraw/zinc/43/57/26/1044435726.db2.gz WRSNIHGEJSUITD-UHFFFAOYSA-N 2 2 390.527 3.855 20 0 GHADLP COc1ccc(CC[C@@H](C)[N@@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)cc1 ZINC001258400673 1044535493 /nfs/dbraw/zinc/53/54/93/1044535493.db2.gz JLAMWRPYHOGUBW-GOSISDBHSA-N 2 2 384.568 3.914 20 0 GHADLP COc1ccc(CC[C@@H](C)[N@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)cc1 ZINC001258400673 1044535508 /nfs/dbraw/zinc/53/55/08/1044535508.db2.gz JLAMWRPYHOGUBW-GOSISDBHSA-N 2 2 384.568 3.914 20 0 GHADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001258680308 1044708036 /nfs/dbraw/zinc/70/80/36/1044708036.db2.gz XXKYYCLGZRDWTD-UAOJZALGSA-N 2 2 378.347 3.726 20 0 GHADLP C[C@@H](NC(=O)c1c[nH+]ccc1Nc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001296233034 1045284890 /nfs/dbraw/zinc/28/48/90/1045284890.db2.gz YUADXBHSLWPQEQ-MSOLQXFVSA-N 2 2 378.520 3.630 20 0 GHADLP C[C@@H](NC(=O)c1c[nH+]ccc1Nc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001296233034 1045284902 /nfs/dbraw/zinc/28/49/02/1045284902.db2.gz YUADXBHSLWPQEQ-MSOLQXFVSA-N 2 2 378.520 3.630 20 0 GHADLP COc1cccc(C(=O)CCCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c1 ZINC001261239948 1045935602 /nfs/dbraw/zinc/93/56/02/1045935602.db2.gz FXLNJWCLRPQWIQ-UHFFFAOYSA-N 2 2 378.432 3.576 20 0 GHADLP CC[NH+](CC)C1CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC001261297120 1045970762 /nfs/dbraw/zinc/97/07/62/1045970762.db2.gz RJPWRQUAJXEGMY-UHFFFAOYSA-N 2 2 389.931 3.542 20 0 GHADLP COc1ccccc1-c1nn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(=S)o1 ZINC001262482585 1046260185 /nfs/dbraw/zinc/26/01/85/1046260185.db2.gz GZGGJKFHAPIVAM-JYJNAYRXSA-N 2 2 388.537 3.501 20 0 GHADLP COc1ccccc1-c1nn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(=S)o1 ZINC001262482585 1046260202 /nfs/dbraw/zinc/26/02/02/1046260202.db2.gz GZGGJKFHAPIVAM-JYJNAYRXSA-N 2 2 388.537 3.501 20 0 GHADLP C[NH+](C)Cc1ccnc(NC(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001263648508 1047020092 /nfs/dbraw/zinc/02/00/92/1047020092.db2.gz UWJXFDWSGKNADC-KRWDZBQOSA-N 2 2 384.528 3.506 20 0 GHADLP CC[NH+](CC)CC[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC001263800724 1047140845 /nfs/dbraw/zinc/14/08/45/1047140845.db2.gz AVLDTGUVHGYMBD-FQEVSTJZSA-N 2 2 383.540 3.772 20 0 GHADLP CC[NH+](CC)CC[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC001263800724 1047140848 /nfs/dbraw/zinc/14/08/48/1047140848.db2.gz AVLDTGUVHGYMBD-FQEVSTJZSA-N 2 2 383.540 3.772 20 0 GHADLP Cc1ccc(C)c(OC2CC[NH+](C[C@@H](O)C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000590126519 1047211255 /nfs/dbraw/zinc/21/12/55/1047211255.db2.gz LMZBDIDALYFMIU-QFIPXVFZSA-N 2 2 382.548 3.640 20 0 GHADLP Cc1ccc(C)c(OC2CC[NH+](C[C@@H](O)C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000590126519 1047211265 /nfs/dbraw/zinc/21/12/65/1047211265.db2.gz LMZBDIDALYFMIU-QFIPXVFZSA-N 2 2 382.548 3.640 20 0 GHADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2cc(Cl)ccc2[nH]1 ZINC001279614713 1047869753 /nfs/dbraw/zinc/86/97/53/1047869753.db2.gz ALDCIYZPUZGZBB-JLYLLQBASA-N 2 2 377.916 3.527 20 0 GHADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2cc(Cl)ccc2[nH]1 ZINC001279614713 1047869759 /nfs/dbraw/zinc/86/97/59/1047869759.db2.gz ALDCIYZPUZGZBB-JLYLLQBASA-N 2 2 377.916 3.527 20 0 GHADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](CC4CCSCC4)C3)C2)n(C)n1 ZINC001279644003 1047887241 /nfs/dbraw/zinc/88/72/41/1047887241.db2.gz FTUTVJXIJZLLQK-OAQYLSRUSA-N 2 2 376.614 3.550 20 0 GHADLP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](CC4CCSCC4)C3)C2)n(C)n1 ZINC001279644003 1047887256 /nfs/dbraw/zinc/88/72/56/1047887256.db2.gz FTUTVJXIJZLLQK-OAQYLSRUSA-N 2 2 376.614 3.550 20 0 GHADLP Cc1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](CC4CCSCC4)C3)C2)n(C)n1 ZINC001279644003 1047887261 /nfs/dbraw/zinc/88/72/61/1047887261.db2.gz FTUTVJXIJZLLQK-OAQYLSRUSA-N 2 2 376.614 3.550 20 0 GHADLP Cc1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](CC4CCSCC4)C3)C2)n(C)n1 ZINC001279644003 1047887270 /nfs/dbraw/zinc/88/72/70/1047887270.db2.gz FTUTVJXIJZLLQK-OAQYLSRUSA-N 2 2 376.614 3.550 20 0 GHADLP Cc1csc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)Nc3cccc4[nH+]ccn43)C2)c1Cl ZINC001279870839 1047974789 /nfs/dbraw/zinc/97/47/89/1047974789.db2.gz GNNVZIUXOGGRHE-BFUOFWGJSA-N 2 2 386.908 3.818 20 0 GHADLP Cc1csc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)Nc3cccc4[nH+]ccn43)C2)c1Cl ZINC001279870839 1047974797 /nfs/dbraw/zinc/97/47/97/1047974797.db2.gz GNNVZIUXOGGRHE-BFUOFWGJSA-N 2 2 386.908 3.818 20 0 GHADLP C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001307789416 1049592867 /nfs/dbraw/zinc/59/28/67/1049592867.db2.gz JMRDBAQBENFAEK-LJQANCHMSA-N 2 2 399.966 3.883 20 0 GHADLP C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001307789416 1049592876 /nfs/dbraw/zinc/59/28/76/1049592876.db2.gz JMRDBAQBENFAEK-LJQANCHMSA-N 2 2 399.966 3.883 20 0 GHADLP Cc1nc(-c2ccccc2)oc1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001307973028 1049731534 /nfs/dbraw/zinc/73/15/34/1049731534.db2.gz WRRDHSJNNHUTNS-DEOSSOPVSA-N 2 2 391.515 3.719 20 0 GHADLP Cc1nc(-c2ccccc2)oc1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001307973028 1049731543 /nfs/dbraw/zinc/73/15/43/1049731543.db2.gz WRRDHSJNNHUTNS-DEOSSOPVSA-N 2 2 391.515 3.719 20 0 GHADLP Cc1nc(-c2ccccc2)oc1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001307973028 1049731549 /nfs/dbraw/zinc/73/15/49/1049731549.db2.gz WRRDHSJNNHUTNS-DEOSSOPVSA-N 2 2 391.515 3.719 20 0 GHADLP Cc1nc(-c2ccccc2)oc1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001307973028 1049731557 /nfs/dbraw/zinc/73/15/57/1049731557.db2.gz WRRDHSJNNHUTNS-DEOSSOPVSA-N 2 2 391.515 3.719 20 0 GHADLP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)c1 ZINC001290115527 1049736259 /nfs/dbraw/zinc/73/62/59/1049736259.db2.gz VOWNLUPRILSGFK-DEOSSOPVSA-N 2 2 391.559 3.694 20 0 GHADLP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)CC2)c1 ZINC001290115527 1049736261 /nfs/dbraw/zinc/73/62/61/1049736261.db2.gz VOWNLUPRILSGFK-DEOSSOPVSA-N 2 2 391.559 3.694 20 0 GHADLP CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC001308271449 1049932777 /nfs/dbraw/zinc/93/27/77/1049932777.db2.gz AVPIZVPRLULFGX-IBGZPJMESA-N 2 2 384.590 3.624 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(C(F)(F)F)nc2N(C)C)[nH+]1 ZINC001308574594 1050015480 /nfs/dbraw/zinc/01/54/80/1050015480.db2.gz WYASCCQKOKRQMN-INIZCTEOSA-N 2 2 393.457 3.946 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(C(F)(F)F)nc2N(C)C)[nH+]1 ZINC001308574594 1050015485 /nfs/dbraw/zinc/01/54/85/1050015485.db2.gz WYASCCQKOKRQMN-INIZCTEOSA-N 2 2 393.457 3.946 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c(C(F)(F)F)c1 ZINC001308919089 1050169279 /nfs/dbraw/zinc/16/92/79/1050169279.db2.gz UBXGXMXDJXYFJL-CQSZACIVSA-N 2 2 393.409 3.598 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c(C(F)(F)F)c1 ZINC001308919089 1050169288 /nfs/dbraw/zinc/16/92/88/1050169288.db2.gz UBXGXMXDJXYFJL-CQSZACIVSA-N 2 2 393.409 3.598 20 0 GHADLP C[C@@H](CNC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1)[N@H+](C)Cc1ccccc1 ZINC001310793731 1051594707 /nfs/dbraw/zinc/59/47/07/1051594707.db2.gz PDWNHUHXVIOHPP-KRWDZBQOSA-N 2 2 391.519 3.943 20 0 GHADLP C[C@@H](CNC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC001310793731 1051594722 /nfs/dbraw/zinc/59/47/22/1051594722.db2.gz PDWNHUHXVIOHPP-KRWDZBQOSA-N 2 2 391.519 3.943 20 0 GHADLP C[N@H+](CCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCCC1 ZINC001311403104 1052107557 /nfs/dbraw/zinc/10/75/57/1052107557.db2.gz YMPDOZMLMDAEOD-NRFANRHFSA-N 2 2 383.540 3.578 20 0 GHADLP C[N@@H+](CCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCCC1 ZINC001311403104 1052107585 /nfs/dbraw/zinc/10/75/85/1052107585.db2.gz YMPDOZMLMDAEOD-NRFANRHFSA-N 2 2 383.540 3.578 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)nn1 ZINC001335472098 1052112969 /nfs/dbraw/zinc/11/29/69/1052112969.db2.gz VGOVLCHFVQPZAU-UHFFFAOYSA-N 2 2 389.544 3.710 20 0 GHADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001335865576 1052193669 /nfs/dbraw/zinc/19/36/69/1052193669.db2.gz GGJGBPYNEZBLRC-VQTJNVASSA-N 2 2 379.508 3.596 20 0 GHADLP CN(C)c1cccc(Cl)c1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC001337082519 1052394624 /nfs/dbraw/zinc/39/46/24/1052394624.db2.gz KWKZQQYIJHWFMP-UHFFFAOYSA-N 2 2 387.959 3.944 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccnc(OC2CCCCC2)c1 ZINC001337167543 1052414934 /nfs/dbraw/zinc/41/49/34/1052414934.db2.gz YBYBWDCNJQAVRH-UHFFFAOYSA-N 2 2 377.448 3.935 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)[NH+](CC)CC)cc1 ZINC001312787319 1052869523 /nfs/dbraw/zinc/86/95/23/1052869523.db2.gz SSDOTLJYMYMQOX-FCHUYYIVSA-N 2 2 397.567 3.875 20 0 GHADLP CC(C)(C)[NH2+]CC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001318228993 1054513478 /nfs/dbraw/zinc/51/34/78/1054513478.db2.gz ZGYKHXXVMXQTMB-JOCHJYFZSA-N 2 2 399.966 3.962 20 0 GHADLP C[C@H](C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001320627609 1055907810 /nfs/dbraw/zinc/90/78/10/1055907810.db2.gz CUHCKZGMSAHPPT-IXDOHACOSA-N 2 2 383.540 3.749 20 0 GHADLP C[C@H](C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001320627609 1055907811 /nfs/dbraw/zinc/90/78/11/1055907811.db2.gz CUHCKZGMSAHPPT-IXDOHACOSA-N 2 2 383.540 3.749 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001321345535 1056230520 /nfs/dbraw/zinc/23/05/20/1056230520.db2.gz HDPSGELMQCXFHX-UHFFFAOYSA-N 3 2 375.476 3.814 20 0 GHADLP Cn1cc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c(C2CCCC2)n1 ZINC001200751692 1056890796 /nfs/dbraw/zinc/89/07/96/1056890796.db2.gz RVCYFPZMQAPXHT-UHFFFAOYSA-N 2 2 381.568 3.902 20 0 GHADLP Cc1c(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc2c[nH+]cn21 ZINC001323522099 1056980907 /nfs/dbraw/zinc/98/09/07/1056980907.db2.gz NKLKTEMHWQWUGL-HOTGVXAUSA-N 2 2 378.476 3.504 20 0 GHADLP C[NH+](C)[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000849090154 1057590183 /nfs/dbraw/zinc/59/01/83/1057590183.db2.gz YISWXCIBMGROEG-QGZVFWFLSA-N 2 2 382.405 3.761 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001441450902 1058785044 /nfs/dbraw/zinc/78/50/44/1058785044.db2.gz SOKQNNULXJBVSW-QZTJIDSGSA-N 2 2 376.504 3.742 20 0 GHADLP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001451097162 1060737560 /nfs/dbraw/zinc/73/75/60/1060737560.db2.gz WKZHUVPAUJRLMI-OAQYLSRUSA-N 2 2 399.510 3.889 20 0 GHADLP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001451097162 1060737578 /nfs/dbraw/zinc/73/75/78/1060737578.db2.gz WKZHUVPAUJRLMI-OAQYLSRUSA-N 2 2 399.510 3.889 20 0 GHADLP Cc1ccc(N2CCC(C(=O)Nc3c[nH+]ccc3Nc3ccccc3)CC2)[nH+]c1 ZINC001452703338 1060990931 /nfs/dbraw/zinc/99/09/31/1060990931.db2.gz IJSZISWKPNCLGU-UHFFFAOYSA-N 2 2 387.487 3.806 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)N3[C@H](C)CCC[C@H]3CC[NH+](C)C)cn2c1 ZINC001453753116 1061200794 /nfs/dbraw/zinc/20/07/94/1061200794.db2.gz QMOCZMBMWUOTNR-MJGOQNOKSA-N 2 2 388.581 3.597 20 0 GHADLP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001454259164 1061674166 /nfs/dbraw/zinc/67/41/66/1061674166.db2.gz VYUVFZKFWRSXGJ-OAQYLSRUSA-N 2 2 383.923 3.723 20 0 GHADLP CC[NH+](CC)CC[C@@H](NC(=O)N1CCC(c2c[nH+]cn2C)CC1)c1ccccc1 ZINC001346913596 1061979910 /nfs/dbraw/zinc/97/99/10/1061979910.db2.gz OGTLGBOLHVPHSC-OAQYLSRUSA-N 2 2 397.567 3.782 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(OCc2ccncc2)cc1 ZINC001348609759 1063238413 /nfs/dbraw/zinc/23/84/13/1063238413.db2.gz XZTVYMZOYFJNCZ-UHFFFAOYSA-N 2 2 385.427 3.802 20 0 GHADLP CC[C@H](C(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1)[NH+](C)C ZINC001464103588 1064825403 /nfs/dbraw/zinc/82/54/03/1064825403.db2.gz PGCXLDJWPSGYBL-LJQANCHMSA-N 2 2 389.540 3.539 20 0 GHADLP C[N@H+](CCc1cccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c1)C1CC1 ZINC001466486424 1066169897 /nfs/dbraw/zinc/16/98/97/1066169897.db2.gz MSFAQUFNWDVYBC-QGZVFWFLSA-N 2 2 380.414 3.652 20 0 GHADLP C[N@@H+](CCc1cccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c1)C1CC1 ZINC001466486424 1066169902 /nfs/dbraw/zinc/16/99/02/1066169902.db2.gz MSFAQUFNWDVYBC-QGZVFWFLSA-N 2 2 380.414 3.652 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(C(C)(C)C)cc2cccnc21 ZINC001467133126 1067091567 /nfs/dbraw/zinc/09/15/67/1067091567.db2.gz OTFWCKBVMDZLNR-UHFFFAOYSA-N 2 2 385.556 3.537 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(C(C)(C)C)cc2cccnc21 ZINC001467133126 1067091584 /nfs/dbraw/zinc/09/15/84/1067091584.db2.gz OTFWCKBVMDZLNR-UHFFFAOYSA-N 2 2 385.556 3.537 20 0 GHADLP Brc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(Br)s1 ZINC001474166824 1067588806 /nfs/dbraw/zinc/58/88/06/1067588806.db2.gz ADBBKLWRRQVCTD-QMMMGPOBSA-N 2 2 391.132 3.643 20 0 GHADLP CC[NH+](CC)CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001468462844 1067740705 /nfs/dbraw/zinc/74/07/05/1067740705.db2.gz SSBNGJLQNDREGB-FQEVSTJZSA-N 2 2 379.976 3.741 20 0 GHADLP CC[NH+](CC)CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001468462844 1067740711 /nfs/dbraw/zinc/74/07/11/1067740711.db2.gz SSBNGJLQNDREGB-FQEVSTJZSA-N 2 2 379.976 3.741 20 0 GHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)[NH+](C)C ZINC001470094863 1068569817 /nfs/dbraw/zinc/56/98/17/1068569817.db2.gz OPRUMSIHRXRGIQ-AVRDEDQJSA-N 2 2 395.551 3.667 20 0 GHADLP CN(C(=O)NCC(C)(C)C1CCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001470197813 1068621044 /nfs/dbraw/zinc/62/10/44/1068621044.db2.gz HROKCJBYFLVYLQ-RTWAWAEBSA-N 2 2 392.632 3.791 20 0 GHADLP CN(C(=O)NCC(C)(C)C1CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001470197813 1068621050 /nfs/dbraw/zinc/62/10/50/1068621050.db2.gz HROKCJBYFLVYLQ-RTWAWAEBSA-N 2 2 392.632 3.791 20 0 GHADLP CN(C(=O)NCCC(C)(C)C1CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001470338952 1068688300 /nfs/dbraw/zinc/68/83/00/1068688300.db2.gz CLZMBVXIVVHOHU-SFTDATJTSA-N 2 2 392.632 3.791 20 0 GHADLP CN(C(=O)NCCC(C)(C)C1CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001470338952 1068688306 /nfs/dbraw/zinc/68/83/06/1068688306.db2.gz CLZMBVXIVVHOHU-SFTDATJTSA-N 2 2 392.632 3.791 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC001460231031 1068874073 /nfs/dbraw/zinc/87/40/73/1068874073.db2.gz MJZHRBDYWBNSRC-HXUWFJFHSA-N 2 2 388.502 3.712 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC001460231031 1068874100 /nfs/dbraw/zinc/87/41/00/1068874100.db2.gz MJZHRBDYWBNSRC-HXUWFJFHSA-N 2 2 388.502 3.712 20 0 GHADLP CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001460557683 1068995521 /nfs/dbraw/zinc/99/55/21/1068995521.db2.gz DRFKHFUCKCJZBQ-LFUKPOHLSA-N 2 2 377.960 3.675 20 0 GHADLP CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001460557683 1068995526 /nfs/dbraw/zinc/99/55/26/1068995526.db2.gz DRFKHFUCKCJZBQ-LFUKPOHLSA-N 2 2 377.960 3.675 20 0 GHADLP CC(C)(C)CN1CCC[C@@H]([N@@H+]2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001460637330 1069047172 /nfs/dbraw/zinc/04/71/72/1069047172.db2.gz IMLGSKVTGGRUMV-SDUSCBPUSA-N 2 2 397.607 3.868 20 0 GHADLP CC(C)(C)CN1CCC[C@@H]([N@H+]2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001460637330 1069047176 /nfs/dbraw/zinc/04/71/76/1069047176.db2.gz IMLGSKVTGGRUMV-SDUSCBPUSA-N 2 2 397.607 3.868 20 0 GHADLP CC(C)(C)CN1CCC[C@@H]([NH+]2C[C@@]3(C)C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001460637330 1069047185 /nfs/dbraw/zinc/04/71/85/1069047185.db2.gz IMLGSKVTGGRUMV-SDUSCBPUSA-N 2 2 397.607 3.868 20 0 GHADLP CC(C)(C)CN1CCC[C@@H]([NH+]2C[C@@]3(C)C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001460637330 1069047194 /nfs/dbraw/zinc/04/71/94/1069047194.db2.gz IMLGSKVTGGRUMV-SDUSCBPUSA-N 2 2 397.607 3.868 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001460693698 1069091620 /nfs/dbraw/zinc/09/16/20/1069091620.db2.gz YZQOJSGVQVDWGL-KRWDZBQOSA-N 2 2 378.476 3.840 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001460693698 1069091624 /nfs/dbraw/zinc/09/16/24/1069091624.db2.gz YZQOJSGVQVDWGL-KRWDZBQOSA-N 2 2 378.476 3.840 20 0 GHADLP Cn1c[nH+]cc1C1CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 ZINC001460966676 1069302366 /nfs/dbraw/zinc/30/23/66/1069302366.db2.gz SSCLOHCELCYDAS-HSZRJFAPSA-N 2 2 380.536 3.647 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001471165209 1072949163 /nfs/dbraw/zinc/94/91/63/1072949163.db2.gz XIFATKWQKZIEDB-NHCUHLMSSA-N 2 2 388.600 3.532 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001471165209 1072949166 /nfs/dbraw/zinc/94/91/66/1072949166.db2.gz XIFATKWQKZIEDB-NHCUHLMSSA-N 2 2 388.600 3.532 20 0 GHADLP CNc1cc(CNC(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)cc[nH+]1 ZINC001471605870 1073156932 /nfs/dbraw/zinc/15/69/32/1073156932.db2.gz UVMUFGSFOSJHQX-PXNSSMCTSA-N 2 2 383.540 3.688 20 0 GHADLP CC(C)[C@@H](C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1)[NH+]1CCCCC1 ZINC001471737049 1073202568 /nfs/dbraw/zinc/20/25/68/1073202568.db2.gz VCABCPBTWWHIBI-QHCPKHFHSA-N 2 2 394.563 3.715 20 0 GHADLP COc1ccc(CCC[N@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001473116591 1073787666 /nfs/dbraw/zinc/78/76/66/1073787666.db2.gz BXJVXMWHBSSWPQ-UHFFFAOYSA-N 2 2 381.564 3.772 20 0 GHADLP COc1ccc(CCC[N@@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001473116591 1073787669 /nfs/dbraw/zinc/78/76/69/1073787669.db2.gz BXJVXMWHBSSWPQ-UHFFFAOYSA-N 2 2 381.564 3.772 20 0 GHADLP C[NH+](C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)C1(C(N)=O)CCCC1 ZINC001473284718 1073906355 /nfs/dbraw/zinc/90/63/55/1073906355.db2.gz PJKNUMYUKSDFEQ-JOCHJYFZSA-N 2 2 379.548 3.632 20 0 GHADLP C[NH+](C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)C1(C(N)=O)CCCC1 ZINC001473284718 1073906361 /nfs/dbraw/zinc/90/63/61/1073906361.db2.gz PJKNUMYUKSDFEQ-JOCHJYFZSA-N 2 2 379.548 3.632 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](C[N@H+](C)C1(C(N)=O)CCCC1)c1ccccc1 ZINC001473284718 1073906362 /nfs/dbraw/zinc/90/63/62/1073906362.db2.gz PJKNUMYUKSDFEQ-JOCHJYFZSA-N 2 2 379.548 3.632 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+](C)C1(C(N)=O)CCCC1)c1ccccc1 ZINC001473284718 1073906366 /nfs/dbraw/zinc/90/63/66/1073906366.db2.gz PJKNUMYUKSDFEQ-JOCHJYFZSA-N 2 2 379.548 3.632 20 0 GHADLP COc1cc(C)c([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC001473333186 1073924376 /nfs/dbraw/zinc/92/43/76/1073924376.db2.gz UTSJPRQUXAKJMH-HXUWFJFHSA-N 2 2 397.563 3.875 20 0 GHADLP CC(C)COc1cccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC001473684795 1074086038 /nfs/dbraw/zinc/08/60/38/1074086038.db2.gz LDHVNQDYDMEZJF-DEOSSOPVSA-N 2 2 382.548 3.790 20 0 GHADLP CC(C)COc1cccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC001473684795 1074086045 /nfs/dbraw/zinc/08/60/45/1074086045.db2.gz LDHVNQDYDMEZJF-DEOSSOPVSA-N 2 2 382.548 3.790 20 0 GHADLP CC(C)COc1cccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001473684795 1074086054 /nfs/dbraw/zinc/08/60/54/1074086054.db2.gz LDHVNQDYDMEZJF-DEOSSOPVSA-N 2 2 382.548 3.790 20 0 GHADLP CC(C)COc1cccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001473684795 1074086062 /nfs/dbraw/zinc/08/60/62/1074086062.db2.gz LDHVNQDYDMEZJF-DEOSSOPVSA-N 2 2 382.548 3.790 20 0 GHADLP CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC001473845365 1074171850 /nfs/dbraw/zinc/17/18/50/1074171850.db2.gz VBRSBEMOJHKZGN-UHFFFAOYSA-N 2 2 395.425 3.888 20 0 GHADLP Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(O)(C[NH+]4CCCCC4)CC3)o2)cc1C ZINC001473878024 1074187384 /nfs/dbraw/zinc/18/73/84/1074187384.db2.gz ZCGXOZYVBOYXRK-IBGZPJMESA-N 2 2 398.551 3.727 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@H](O)COc2ccc3cc[nH]c3c2)C1 ZINC001473897371 1074195230 /nfs/dbraw/zinc/19/52/30/1074195230.db2.gz KBBDYRRSJHZYHM-OALUTQOASA-N 2 2 396.535 3.739 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc3cc[nH]c3c2)C1 ZINC001473897371 1074195234 /nfs/dbraw/zinc/19/52/34/1074195234.db2.gz KBBDYRRSJHZYHM-OALUTQOASA-N 2 2 396.535 3.739 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)cn1 ZINC001473943726 1074213833 /nfs/dbraw/zinc/21/38/33/1074213833.db2.gz LITAGXJBDNPUEB-UHFFFAOYSA-N 2 2 394.372 3.946 20 0 GHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001474020145 1074238507 /nfs/dbraw/zinc/23/85/07/1074238507.db2.gz KBWWRCHUFGDJHY-QUCCMNQESA-N 2 2 378.438 3.678 20 0 GHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001474020145 1074238509 /nfs/dbraw/zinc/23/85/09/1074238509.db2.gz KBWWRCHUFGDJHY-QUCCMNQESA-N 2 2 378.438 3.678 20 0 GHADLP O=c1[nH]c2cc(F)ccc2cc1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC001474135231 1074272720 /nfs/dbraw/zinc/27/27/20/1074272720.db2.gz QBTHEPMPLAFXJZ-UHFFFAOYSA-N 2 2 397.416 3.974 20 0 GHADLP Brc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001474229849 1074300893 /nfs/dbraw/zinc/30/08/93/1074300893.db2.gz FEPWZDSAYSKPLP-GOSISDBHSA-N 2 2 389.341 3.946 20 0 GHADLP Brc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001474229849 1074300901 /nfs/dbraw/zinc/30/09/01/1074300901.db2.gz FEPWZDSAYSKPLP-GOSISDBHSA-N 2 2 389.341 3.946 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001474301309 1074330672 /nfs/dbraw/zinc/33/06/72/1074330672.db2.gz JKJTZAMYHWDIJL-FSPWUOQZSA-N 2 2 379.335 3.917 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001474301309 1074330678 /nfs/dbraw/zinc/33/06/78/1074330678.db2.gz JKJTZAMYHWDIJL-FSPWUOQZSA-N 2 2 379.335 3.917 20 0 GHADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)CC1 ZINC001474673420 1074508380 /nfs/dbraw/zinc/50/83/80/1074508380.db2.gz BLMQCCUBHBCINT-JHMKDJTOSA-N 2 2 390.593 3.624 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCCC1)c1ccccc1 ZINC000736131123 598886880 /nfs/dbraw/zinc/88/68/80/598886880.db2.gz JIGVSEJCLAWXEW-QGZVFWFLSA-N 2 2 376.508 3.620 20 0 GHADLP CC1(C)CN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000820606962 599527885 /nfs/dbraw/zinc/52/78/85/599527885.db2.gz HEVXRMRBBZZPDY-UHFFFAOYSA-N 2 2 399.502 3.516 20 0 GHADLP CC1(C)CN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000820606962 599527887 /nfs/dbraw/zinc/52/78/87/599527887.db2.gz HEVXRMRBBZZPDY-UHFFFAOYSA-N 2 2 399.502 3.516 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820410474 606201606 /nfs/dbraw/zinc/20/16/06/606201606.db2.gz FIKYFUWZWWEYQP-WWMYMODYSA-N 2 2 376.508 3.570 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820410474 606201608 /nfs/dbraw/zinc/20/16/08/606201608.db2.gz FIKYFUWZWWEYQP-WWMYMODYSA-N 2 2 376.508 3.570 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC000826364007 608515332 /nfs/dbraw/zinc/51/53/32/608515332.db2.gz HWNCLCQYQDNAJM-RTWAWAEBSA-N 2 2 399.502 3.551 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824578338 609331576 /nfs/dbraw/zinc/33/15/76/609331576.db2.gz SSBFUHHRMJGJFF-SJLPKXTDSA-N 2 2 394.498 3.569 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824578338 609331578 /nfs/dbraw/zinc/33/15/78/609331578.db2.gz SSBFUHHRMJGJFF-SJLPKXTDSA-N 2 2 394.498 3.569 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000826330920 609340693 /nfs/dbraw/zinc/34/06/93/609340693.db2.gz NLXUFARREGHBKH-UONOGXRCSA-N 2 2 391.454 3.912 20 0 GHADLP CCCc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(C)[nH+]1 ZINC001164844532 720702056 /nfs/dbraw/zinc/70/20/56/720702056.db2.gz STHZMWMXXPSFTD-JOCHJYFZSA-N 2 2 394.563 3.997 20 0 GHADLP CCCc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(C)[nH+]1 ZINC001164844532 720702064 /nfs/dbraw/zinc/70/20/64/720702064.db2.gz STHZMWMXXPSFTD-JOCHJYFZSA-N 2 2 394.563 3.997 20 0 GHADLP Cc1ccc2c(C)cc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)[nH+]c2c1C ZINC001164769257 721207339 /nfs/dbraw/zinc/20/73/39/721207339.db2.gz LVZFTANZRWMUSV-SFTDATJTSA-N 2 2 389.547 3.852 20 0 GHADLP Cc1ccc2c(C)cc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)[nH+]c2c1C ZINC001164769257 721207347 /nfs/dbraw/zinc/20/73/47/721207347.db2.gz LVZFTANZRWMUSV-SFTDATJTSA-N 2 2 389.547 3.852 20 0 GHADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796796 721499086 /nfs/dbraw/zinc/49/90/86/721499086.db2.gz YGRWDAANILRMOQ-UHFFFAOYSA-N 2 2 393.535 3.624 20 0 GHADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796796 721499089 /nfs/dbraw/zinc/49/90/89/721499089.db2.gz YGRWDAANILRMOQ-UHFFFAOYSA-N 2 2 393.535 3.624 20 0 GHADLP Clc1ccc(C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccn2)cc1 ZINC000655736181 837777134 /nfs/dbraw/zinc/77/71/34/837777134.db2.gz NPFFTHQLCATHIO-IRLDBZIGSA-N 2 2 385.939 3.862 20 0 GHADLP CC(C)C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)Nc1nccs1 ZINC000090987509 834624037 /nfs/dbraw/zinc/62/40/37/834624037.db2.gz CRSUBEZPDSFRNP-GOSISDBHSA-N 2 2 378.586 3.883 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000655743379 837795420 /nfs/dbraw/zinc/79/54/20/837795420.db2.gz HJJZJMQAKYOHRY-BBRMVZONSA-N 2 2 377.330 3.516 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000655743379 837795422 /nfs/dbraw/zinc/79/54/22/837795422.db2.gz HJJZJMQAKYOHRY-BBRMVZONSA-N 2 2 377.330 3.516 20 0 GHADLP CC[NH+]1CCN(c2ccc(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)c(C)c2)CC1 ZINC000635124258 834834239 /nfs/dbraw/zinc/83/42/39/834834239.db2.gz QGTNBZCPCYERKY-NRFANRHFSA-N 2 2 383.540 3.559 20 0 GHADLP CN(Cc1c(Cl)cccc1OC(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457748 835022215 /nfs/dbraw/zinc/02/22/15/835022215.db2.gz LXTSDFWJXOJCGU-HNNXBMFYSA-N 2 2 387.902 3.542 20 0 GHADLP CN(Cc1c(Cl)cccc1OC(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457748 835022225 /nfs/dbraw/zinc/02/22/25/835022225.db2.gz LXTSDFWJXOJCGU-HNNXBMFYSA-N 2 2 387.902 3.542 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Br)cn1 ZINC000579821765 835190327 /nfs/dbraw/zinc/19/03/27/835190327.db2.gz SOEOGYYWNBTENF-CZUORRHYSA-N 2 2 390.329 3.553 20 0 GHADLP CCOC(=O)CCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000536206007 835530101 /nfs/dbraw/zinc/53/01/01/835530101.db2.gz ZQCDTIQSPUBYDM-UHFFFAOYSA-N 2 2 386.458 3.945 20 0 GHADLP CCOC(=O)CCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000536206007 835530106 /nfs/dbraw/zinc/53/01/06/835530106.db2.gz ZQCDTIQSPUBYDM-UHFFFAOYSA-N 2 2 386.458 3.945 20 0 GHADLP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000548865943 835575896 /nfs/dbraw/zinc/57/58/96/835575896.db2.gz RUKZWQAEWJHJGB-GOSISDBHSA-N 2 2 377.492 3.957 20 0 GHADLP Cc1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000548865943 835575908 /nfs/dbraw/zinc/57/59/08/835575908.db2.gz RUKZWQAEWJHJGB-GOSISDBHSA-N 2 2 377.492 3.957 20 0 GHADLP Cn1ncc(NC(=O)OC(C)(C)C)c1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000892451202 835774235 /nfs/dbraw/zinc/77/42/35/835774235.db2.gz QIRADOGHRDJYAE-UHFFFAOYSA-N 2 2 379.549 3.511 20 0 GHADLP Cn1ncc(NC(=O)OC(C)(C)C)c1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000892451202 835774242 /nfs/dbraw/zinc/77/42/42/835774242.db2.gz QIRADOGHRDJYAE-UHFFFAOYSA-N 2 2 379.549 3.511 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1cc(F)c(F)cc1Br ZINC000513021945 844100048 /nfs/dbraw/zinc/10/00/48/844100048.db2.gz MIHBTTYPLMEOSH-UHFFFAOYSA-N 2 2 393.235 3.906 20 0 GHADLP C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000151835848 835898180 /nfs/dbraw/zinc/89/81/80/835898180.db2.gz FRBCHOFCYJWDDD-UGKGYDQZSA-N 2 2 395.551 3.662 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000547748307 836001426 /nfs/dbraw/zinc/00/14/26/836001426.db2.gz BAHFLFYXZHYBBS-UYAOXDASSA-N 2 2 386.584 3.730 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000547748307 836001432 /nfs/dbraw/zinc/00/14/32/836001432.db2.gz BAHFLFYXZHYBBS-UYAOXDASSA-N 2 2 386.584 3.730 20 0 GHADLP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1 ZINC000180017762 836022195 /nfs/dbraw/zinc/02/21/95/836022195.db2.gz KQDSJDYEYJSJNZ-NRFANRHFSA-N 2 2 393.909 3.935 20 0 GHADLP COc1cc2c(c(C[N@H+](C)C3CC[NH+](CCc4ccccn4)CC3)c1)O[C@@H](C)C2 ZINC000092645144 844143139 /nfs/dbraw/zinc/14/31/39/844143139.db2.gz BKQAJRPBSJLQTC-SFHVURJKSA-N 2 2 395.547 3.553 20 0 GHADLP COc1cc2c(c(C[N@@H+](C)C3CC[NH+](CCc4ccccn4)CC3)c1)O[C@@H](C)C2 ZINC000092645144 844143147 /nfs/dbraw/zinc/14/31/47/844143147.db2.gz BKQAJRPBSJLQTC-SFHVURJKSA-N 2 2 395.547 3.553 20 0 GHADLP Cc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000548931605 836258000 /nfs/dbraw/zinc/25/80/00/836258000.db2.gz SBKCRBDQPKFYBH-JOCHJYFZSA-N 2 2 379.548 3.502 20 0 GHADLP Cc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000548931605 836258010 /nfs/dbraw/zinc/25/80/10/836258010.db2.gz SBKCRBDQPKFYBH-JOCHJYFZSA-N 2 2 379.548 3.502 20 0 GHADLP Brc1nc(C[N@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)cs1 ZINC001279386731 836339833 /nfs/dbraw/zinc/33/98/33/836339833.db2.gz WNNPKSVHRZWMLF-OKILXGFUSA-N 2 2 384.387 3.992 20 0 GHADLP Brc1nc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)cs1 ZINC001279386731 836339847 /nfs/dbraw/zinc/33/98/47/836339847.db2.gz WNNPKSVHRZWMLF-OKILXGFUSA-N 2 2 384.387 3.992 20 0 GHADLP Brc1nc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)cs1 ZINC001279386731 836339859 /nfs/dbraw/zinc/33/98/59/836339859.db2.gz WNNPKSVHRZWMLF-OKILXGFUSA-N 2 2 384.387 3.992 20 0 GHADLP Brc1nc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)cs1 ZINC001279386731 836339871 /nfs/dbraw/zinc/33/98/71/836339871.db2.gz WNNPKSVHRZWMLF-OKILXGFUSA-N 2 2 384.387 3.992 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000174441037 836462877 /nfs/dbraw/zinc/46/28/77/836462877.db2.gz HFODRQCTJBEQCV-UHFFFAOYSA-N 2 2 380.536 3.843 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000174441037 836462884 /nfs/dbraw/zinc/46/28/84/836462884.db2.gz HFODRQCTJBEQCV-UHFFFAOYSA-N 2 2 380.536 3.843 20 0 GHADLP CN(CCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000162053162 837102162 /nfs/dbraw/zinc/10/21/62/837102162.db2.gz BOEBEWVOHHGXIQ-HSZRJFAPSA-N 3 2 378.649 3.525 20 0 GHADLP CN(CCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000162053162 837102165 /nfs/dbraw/zinc/10/21/65/837102165.db2.gz BOEBEWVOHHGXIQ-HSZRJFAPSA-N 3 2 378.649 3.525 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)CC1 ZINC000377898883 838128868 /nfs/dbraw/zinc/12/88/68/838128868.db2.gz CSRHILUCVPVSMI-FQEVSTJZSA-N 2 2 388.556 3.550 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)CC1 ZINC000377898883 838128869 /nfs/dbraw/zinc/12/88/69/838128869.db2.gz CSRHILUCVPVSMI-FQEVSTJZSA-N 2 2 388.556 3.550 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000415962597 838322275 /nfs/dbraw/zinc/32/22/75/838322275.db2.gz UALSXVNMLMMJLE-MJGOQNOKSA-N 2 2 392.425 3.520 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000415962597 838322278 /nfs/dbraw/zinc/32/22/78/838322278.db2.gz UALSXVNMLMMJLE-MJGOQNOKSA-N 2 2 392.425 3.520 20 0 GHADLP C[NH+]1CCN(C(=O)c2ccc(CNc3cc[nH+]c4cc(Cl)ccc34)cc2)CC1 ZINC000052241581 844324479 /nfs/dbraw/zinc/32/44/79/844324479.db2.gz DPJRHLUEGJKCSQ-UHFFFAOYSA-N 2 2 394.906 3.888 20 0 GHADLP C[NH+](C)[C@@H](CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000416220014 838746404 /nfs/dbraw/zinc/74/64/04/838746404.db2.gz INGIUQGMXLEOHS-NRFANRHFSA-N 2 2 380.536 3.618 20 0 GHADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124275934 838972410 /nfs/dbraw/zinc/97/24/10/838972410.db2.gz RFJCFMBXZLEJRV-LJQANCHMSA-N 2 2 392.503 3.811 20 0 GHADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124275934 838972421 /nfs/dbraw/zinc/97/24/21/838972421.db2.gz RFJCFMBXZLEJRV-LJQANCHMSA-N 2 2 392.503 3.811 20 0 GHADLP Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)sc1C ZINC000613644387 839053171 /nfs/dbraw/zinc/05/31/71/839053171.db2.gz DAJVBZKWUHISEA-MRXNPFEDSA-N 2 2 378.586 3.675 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cncc(Br)c1 ZINC000580217243 839064351 /nfs/dbraw/zinc/06/43/51/839064351.db2.gz XIXVLWDAVVXOEM-OAHLLOKOSA-N 2 2 390.325 3.527 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCCc1ccccc1 ZINC000549163925 839105111 /nfs/dbraw/zinc/10/51/11/839105111.db2.gz AZNGSPKEUDFXAD-HSZRJFAPSA-N 2 2 393.575 3.626 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCCc1ccccc1 ZINC000549163925 839105119 /nfs/dbraw/zinc/10/51/19/839105119.db2.gz AZNGSPKEUDFXAD-HSZRJFAPSA-N 2 2 393.575 3.626 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C1CC1)C1CCCC1 ZINC000549165378 839116292 /nfs/dbraw/zinc/11/62/92/839116292.db2.gz MJCVWQVGFASJSF-JOCHJYFZSA-N 2 2 383.580 3.810 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C1CC1)C1CCCC1 ZINC000549165378 839116297 /nfs/dbraw/zinc/11/62/97/839116297.db2.gz MJCVWQVGFASJSF-JOCHJYFZSA-N 2 2 383.580 3.810 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nsc2ccccc21 ZINC000659992837 839161813 /nfs/dbraw/zinc/16/18/13/839161813.db2.gz LHLLFNHABYMUGW-UHFFFAOYSA-N 3 2 386.609 3.924 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nsc2ccccc21 ZINC000659992837 839161822 /nfs/dbraw/zinc/16/18/22/839161822.db2.gz LHLLFNHABYMUGW-UHFFFAOYSA-N 3 2 386.609 3.924 20 0 GHADLP CSc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1C ZINC000378509049 839237781 /nfs/dbraw/zinc/23/77/81/839237781.db2.gz GNGMLGHWSAFJCD-UHFFFAOYSA-N 2 2 390.597 3.789 20 0 GHADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000119031791 839352767 /nfs/dbraw/zinc/35/27/67/839352767.db2.gz CKBGLDVSSMMWPY-UHFFFAOYSA-N 2 2 382.489 3.916 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc(OC)c1OCc1ccccc1 ZINC000125531152 839518760 /nfs/dbraw/zinc/51/87/60/839518760.db2.gz NLTHVRWOJTYGEY-LJQANCHMSA-N 2 2 384.520 3.666 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc(OC)c1OCc1ccccc1 ZINC000125531152 839518764 /nfs/dbraw/zinc/51/87/64/839518764.db2.gz NLTHVRWOJTYGEY-LJQANCHMSA-N 2 2 384.520 3.666 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1F ZINC000275904821 839761327 /nfs/dbraw/zinc/76/13/27/839761327.db2.gz SWKXDAAUCBMVQQ-JBBXEZCESA-N 2 2 385.321 3.617 20 0 GHADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1C(F)(F)F ZINC001143506039 840204582 /nfs/dbraw/zinc/20/45/82/840204582.db2.gz UOYILBTXYLVGOK-UHFFFAOYSA-N 2 2 380.838 3.676 20 0 GHADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1C(F)(F)F ZINC001143506039 840204596 /nfs/dbraw/zinc/20/45/96/840204596.db2.gz UOYILBTXYLVGOK-UHFFFAOYSA-N 2 2 380.838 3.676 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)c1C ZINC000418500066 840336399 /nfs/dbraw/zinc/33/63/99/840336399.db2.gz NGMDVFKIJQWRGB-HXUWFJFHSA-N 2 2 392.503 3.702 20 0 GHADLP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1Oc1cccnc1 ZINC000584729840 840691968 /nfs/dbraw/zinc/69/19/68/840691968.db2.gz FUPQWZVKKKCLPX-OAQYLSRUSA-N 2 2 381.520 3.869 20 0 GHADLP Cc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1Oc1cccnc1 ZINC000584729840 840691976 /nfs/dbraw/zinc/69/19/76/840691976.db2.gz FUPQWZVKKKCLPX-OAQYLSRUSA-N 2 2 381.520 3.869 20 0 GHADLP C[NH+]1CCC(Nc2ccccc2NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117781777 841174060 /nfs/dbraw/zinc/17/40/60/841174060.db2.gz OTEUDQOZJYRAKT-UHFFFAOYSA-N 2 2 375.476 3.631 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccsc1 ZINC000474866636 861242199 /nfs/dbraw/zinc/24/21/99/861242199.db2.gz DHWRWEZTBBXGKB-DNVCBOLYSA-N 2 2 388.581 3.899 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)NC3CCCCC3)C2)s1 ZINC000581634530 841846977 /nfs/dbraw/zinc/84/69/77/841846977.db2.gz SOAJNGPSOVEHJJ-QZTJIDSGSA-N 2 2 377.598 3.648 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)NC3CCCCC3)C2)s1 ZINC000581634530 841846982 /nfs/dbraw/zinc/84/69/82/841846982.db2.gz SOAJNGPSOVEHJJ-QZTJIDSGSA-N 2 2 377.598 3.648 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NC3CCCCC3)C2)s1 ZINC000581634530 841846988 /nfs/dbraw/zinc/84/69/88/841846988.db2.gz SOAJNGPSOVEHJJ-QZTJIDSGSA-N 2 2 377.598 3.648 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NC3CCCCC3)C2)s1 ZINC000581634530 841846994 /nfs/dbraw/zinc/84/69/94/841846994.db2.gz SOAJNGPSOVEHJJ-QZTJIDSGSA-N 2 2 377.598 3.648 20 0 GHADLP [NH3+]C1(C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CCCC1 ZINC000656789493 841928994 /nfs/dbraw/zinc/92/89/94/841928994.db2.gz OXDQNYWORIFOFQ-UHFFFAOYSA-N 2 2 390.325 3.784 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000066986159 842263077 /nfs/dbraw/zinc/26/30/77/842263077.db2.gz MIBHZOAXYNVLEC-JOCHJYFZSA-N 2 2 389.503 3.509 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[NH+](CC)CC)cc1 ZINC000652337498 842288482 /nfs/dbraw/zinc/28/84/82/842288482.db2.gz PTAKIEYJZBGQGT-OAQYLSRUSA-N 2 2 382.552 3.524 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)s1 ZINC000512045854 842311460 /nfs/dbraw/zinc/31/14/60/842311460.db2.gz OILVRHOQWVEFDO-UHFFFAOYSA-N 2 2 398.507 3.886 20 0 GHADLP CN1CC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000512052442 842341697 /nfs/dbraw/zinc/34/16/97/842341697.db2.gz MHCHFKMYDVTFQN-SJLPKXTDSA-N 2 2 382.936 3.532 20 0 GHADLP CN1CC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000512052434 842342040 /nfs/dbraw/zinc/34/20/40/842342040.db2.gz MHCHFKMYDVTFQN-AEFFLSMTSA-N 2 2 382.936 3.532 20 0 GHADLP COc1cccc(OC)c1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000512127710 842584324 /nfs/dbraw/zinc/58/43/24/842584324.db2.gz CVJXZXBGDNRUQV-QZTJIDSGSA-N 2 2 384.520 3.603 20 0 GHADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCn1cc[nH+]c1 ZINC000512136682 842606916 /nfs/dbraw/zinc/60/69/16/842606916.db2.gz FBTFTOXVRLCIAM-UHFFFAOYSA-N 2 2 383.323 3.561 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245590617 842611197 /nfs/dbraw/zinc/61/11/97/842611197.db2.gz LBSWMMNITQVJCC-VQTJNVASSA-N 2 2 395.950 3.851 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245590617 842611203 /nfs/dbraw/zinc/61/12/03/842611203.db2.gz LBSWMMNITQVJCC-VQTJNVASSA-N 2 2 395.950 3.851 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000051335383 842843842 /nfs/dbraw/zinc/84/38/42/842843842.db2.gz LMKIGSQJYXTKGY-UHFFFAOYSA-N 2 2 396.535 3.692 20 0 GHADLP C[C@@H]1CC[C@H](c2ccccc2)[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000512191973 842884289 /nfs/dbraw/zinc/88/42/89/842884289.db2.gz CCMOLLXHOMAKQH-IFMALSPDSA-N 2 2 392.547 3.594 20 0 GHADLP C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000512191973 842884299 /nfs/dbraw/zinc/88/42/99/842884299.db2.gz CCMOLLXHOMAKQH-IFMALSPDSA-N 2 2 392.547 3.594 20 0 GHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662245727 843005138 /nfs/dbraw/zinc/00/51/38/843005138.db2.gz OFDRPMIEVXWSPC-RYUDHWBXSA-N 2 2 395.263 3.949 20 0 GHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662245727 843005142 /nfs/dbraw/zinc/00/51/42/843005142.db2.gz OFDRPMIEVXWSPC-RYUDHWBXSA-N 2 2 395.263 3.949 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@H](C)C1 ZINC000429809177 843060816 /nfs/dbraw/zinc/06/08/16/843060816.db2.gz QXJOMZKQVHMTKL-ZWCUEREDSA-N 2 2 385.577 3.616 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@H](C)C1 ZINC000429809177 843060825 /nfs/dbraw/zinc/06/08/25/843060825.db2.gz QXJOMZKQVHMTKL-ZWCUEREDSA-N 2 2 385.577 3.616 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@H](C)C1 ZINC000429809177 843060843 /nfs/dbraw/zinc/06/08/43/843060843.db2.gz QXJOMZKQVHMTKL-ZWCUEREDSA-N 2 2 385.577 3.616 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@H](C)C1 ZINC000429809177 843060855 /nfs/dbraw/zinc/06/08/55/843060855.db2.gz QXJOMZKQVHMTKL-ZWCUEREDSA-N 2 2 385.577 3.616 20 0 GHADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1Br ZINC000662277651 843063116 /nfs/dbraw/zinc/06/31/16/843063116.db2.gz RHEIZXPOCBMNRN-ZDUSSCGKSA-N 2 2 395.263 3.868 20 0 GHADLP COc1ccc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(OC)c1OC ZINC000178556577 861382890 /nfs/dbraw/zinc/38/28/90/861382890.db2.gz AMXBGOUMBBUKGB-MRXNPFEDSA-N 2 2 381.476 3.791 20 0 GHADLP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000430902147 843156542 /nfs/dbraw/zinc/15/65/42/843156542.db2.gz XAJGOTJPPOZDGQ-ROUUACIJSA-N 2 2 394.523 3.559 20 0 GHADLP CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)ccc21 ZINC000430947371 843231010 /nfs/dbraw/zinc/23/10/10/843231010.db2.gz DNNBVZZJVTWWEM-FTRWYGJKSA-N 2 2 378.520 3.811 20 0 GHADLP CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)ccc21 ZINC000430947371 843231019 /nfs/dbraw/zinc/23/10/19/843231019.db2.gz DNNBVZZJVTWWEM-FTRWYGJKSA-N 2 2 378.520 3.811 20 0 GHADLP Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ccccc1 ZINC000673683884 861405349 /nfs/dbraw/zinc/40/53/49/861405349.db2.gz KKYLWLNAAXBZRX-QFIPXVFZSA-N 2 2 397.482 3.694 20 0 GHADLP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000510796052 843511382 /nfs/dbraw/zinc/51/13/82/843511382.db2.gz IYCZDFMGXPWFDP-GOTSBHOMSA-N 2 2 399.966 3.972 20 0 GHADLP Cc1ccccc1Cc1noc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000278890077 843554390 /nfs/dbraw/zinc/55/43/90/843554390.db2.gz OCTZWNRUAYIONJ-UHFFFAOYSA-N 2 2 391.519 3.881 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC001167820583 843686464 /nfs/dbraw/zinc/68/64/64/843686464.db2.gz USUATTUFKZVIRN-QFIPXVFZSA-N 2 2 397.950 3.848 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC001167820583 843686467 /nfs/dbraw/zinc/68/64/67/843686467.db2.gz USUATTUFKZVIRN-QFIPXVFZSA-N 2 2 397.950 3.848 20 0 GHADLP CC(C)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(O)c(=O)c1 ZINC000663834456 843827125 /nfs/dbraw/zinc/82/71/25/843827125.db2.gz USADKYLREQVMGM-LJQANCHMSA-N 2 2 381.520 3.788 20 0 GHADLP CC(C)c1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(O)c(=O)c1 ZINC000663834456 843827128 /nfs/dbraw/zinc/82/71/28/843827128.db2.gz USADKYLREQVMGM-LJQANCHMSA-N 2 2 381.520 3.788 20 0 GHADLP O=C(Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000899672039 861482264 /nfs/dbraw/zinc/48/22/64/861482264.db2.gz NKUXZLBIVQWTDX-AWEZNQCLSA-N 2 2 392.425 3.699 20 0 GHADLP CN(C(=O)[C@H]1CCCc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850619 844811557 /nfs/dbraw/zinc/81/15/57/844811557.db2.gz IQRKGZSBLHKBOE-VXNXHJTFSA-N 2 2 397.607 3.902 20 0 GHADLP CN(C(=O)[C@H]1CCCc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850619 844811561 /nfs/dbraw/zinc/81/15/61/844811561.db2.gz IQRKGZSBLHKBOE-VXNXHJTFSA-N 2 2 397.607 3.902 20 0 GHADLP C(=C/c1ccccc1)\C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512658140 844926823 /nfs/dbraw/zinc/92/68/23/844926823.db2.gz OFUCKEYZQKFMTC-LNLBBOMNSA-N 2 2 376.548 3.629 20 0 GHADLP C(=C/c1ccccc1)\C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512658140 844926827 /nfs/dbraw/zinc/92/68/27/844926827.db2.gz OFUCKEYZQKFMTC-LNLBBOMNSA-N 2 2 376.548 3.629 20 0 GHADLP CC[NH+](CC)[C@@H](CNc1cc(N2CCSCC2)[nH+]cn1)c1ccsc1 ZINC000433624033 845122009 /nfs/dbraw/zinc/12/20/09/845122009.db2.gz XFGCLGMQHZNEMO-INIZCTEOSA-N 2 2 377.583 3.586 20 0 GHADLP CC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000052713515 845181377 /nfs/dbraw/zinc/18/13/77/845181377.db2.gz CYCAQPXAEWEJNH-GOSISDBHSA-N 2 2 385.552 3.804 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3c(F)ccc(O)c3F)cc2)C[C@@H](C)O1 ZINC000509790290 845409670 /nfs/dbraw/zinc/40/96/70/845409670.db2.gz XHBFHIHUVHJKCO-HUUCEWRRSA-N 2 2 376.447 3.569 20 0 GHADLP Cc1cc(F)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000124577077 845538349 /nfs/dbraw/zinc/53/83/49/845538349.db2.gz FSBAMFKWQFJOJR-RTWAWAEBSA-N 2 2 393.522 3.682 20 0 GHADLP Cc1cc(F)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000124577077 845538359 /nfs/dbraw/zinc/53/83/59/845538359.db2.gz FSBAMFKWQFJOJR-RTWAWAEBSA-N 2 2 393.522 3.682 20 0 GHADLP CCc1cccc2cc(C[NH2+]Cc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)oc21 ZINC000657311649 846030840 /nfs/dbraw/zinc/03/08/40/846030840.db2.gz QJWZAUFELZQDMW-UHFFFAOYSA-N 2 2 391.515 3.673 20 0 GHADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccccc1I ZINC000502866748 846572932 /nfs/dbraw/zinc/57/29/32/846572932.db2.gz GGPTXBWIYPMNJO-PBHICJAKSA-N 2 2 384.305 3.912 20 0 GHADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccccc1I ZINC000502866748 846572938 /nfs/dbraw/zinc/57/29/38/846572938.db2.gz GGPTXBWIYPMNJO-PBHICJAKSA-N 2 2 384.305 3.912 20 0 GHADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000502866748 846572948 /nfs/dbraw/zinc/57/29/48/846572948.db2.gz GGPTXBWIYPMNJO-PBHICJAKSA-N 2 2 384.305 3.912 20 0 GHADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1ccccc1I ZINC000502866748 846572956 /nfs/dbraw/zinc/57/29/56/846572956.db2.gz GGPTXBWIYPMNJO-PBHICJAKSA-N 2 2 384.305 3.912 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000502907292 846601380 /nfs/dbraw/zinc/60/13/80/846601380.db2.gz YFWLREFLIYSKEY-KRWDZBQOSA-N 2 2 391.519 3.768 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000502907292 846601381 /nfs/dbraw/zinc/60/13/81/846601381.db2.gz YFWLREFLIYSKEY-KRWDZBQOSA-N 2 2 391.519 3.768 20 0 GHADLP CN(C(=O)[C@@H]1CCCCC1(C)C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000582220855 846656575 /nfs/dbraw/zinc/65/65/75/846656575.db2.gz FWJNKOCJZVRNMC-HBMCJLEFSA-N 2 2 377.617 3.998 20 0 GHADLP CN(C(=O)[C@@H]1CCCCC1(C)C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000582220855 846656583 /nfs/dbraw/zinc/65/65/83/846656583.db2.gz FWJNKOCJZVRNMC-HBMCJLEFSA-N 2 2 377.617 3.998 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(C)c(Cl)c3Cl)CC2)CC1 ZINC000422010946 846750232 /nfs/dbraw/zinc/75/02/32/846750232.db2.gz CJMSWOUCFOGQNT-UHFFFAOYSA-N 2 2 398.378 3.934 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(C)c(Cl)c3Cl)CC2)CC1 ZINC000422010946 846750238 /nfs/dbraw/zinc/75/02/38/846750238.db2.gz CJMSWOUCFOGQNT-UHFFFAOYSA-N 2 2 398.378 3.934 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3oc4ccc(F)cc4c3C)CC2)CC1 ZINC000422013337 846752515 /nfs/dbraw/zinc/75/25/15/846752515.db2.gz XGXZWQMQENVSAP-UHFFFAOYSA-N 2 2 387.499 3.513 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3oc4ccc(F)cc4c3C)CC2)CC1 ZINC000422013337 846752518 /nfs/dbraw/zinc/75/25/18/846752518.db2.gz XGXZWQMQENVSAP-UHFFFAOYSA-N 2 2 387.499 3.513 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)Cc3ccccc3Cl)CC2)CC1 ZINC000422014060 846753265 /nfs/dbraw/zinc/75/32/65/846753265.db2.gz FSYQSWAFJQUOMI-SFHVURJKSA-N 2 2 391.987 3.537 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)Cc3ccccc3Cl)CC2)CC1 ZINC000422014060 846753272 /nfs/dbraw/zinc/75/32/72/846753272.db2.gz FSYQSWAFJQUOMI-SFHVURJKSA-N 2 2 391.987 3.537 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCCCCc3cccs3)CC2)CC1 ZINC000422024904 846756606 /nfs/dbraw/zinc/75/66/06/846756606.db2.gz RLUZHMDVCVMHOT-UHFFFAOYSA-N 2 2 391.625 3.870 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCCCCc3cccs3)CC2)CC1 ZINC000422024904 846756614 /nfs/dbraw/zinc/75/66/14/846756614.db2.gz RLUZHMDVCVMHOT-UHFFFAOYSA-N 2 2 391.625 3.870 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)c3cc(C)cc(C)c3)CC2)CC1 ZINC000422154631 846859865 /nfs/dbraw/zinc/85/98/65/846859865.db2.gz CMVSVZNHSPKUAX-HXUWFJFHSA-N 2 2 386.584 3.566 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](C)c3cc(C)cc(C)c3)CC2)CC1 ZINC000422154631 846859873 /nfs/dbraw/zinc/85/98/73/846859873.db2.gz CMVSVZNHSPKUAX-HXUWFJFHSA-N 2 2 386.584 3.566 20 0 GHADLP Cc1cscc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000272056972 846980870 /nfs/dbraw/zinc/98/08/70/846980870.db2.gz RKTQQQJYTMXOFK-MOPGFXCFSA-N 2 2 378.586 3.857 20 0 GHADLP Cc1cscc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000272056972 846980874 /nfs/dbraw/zinc/98/08/74/846980874.db2.gz RKTQQQJYTMXOFK-MOPGFXCFSA-N 2 2 378.586 3.857 20 0 GHADLP COC[C@@H](C)Oc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000657412131 847071238 /nfs/dbraw/zinc/07/12/38/847071238.db2.gz BTHLTOHVBDFXST-MOPGFXCFSA-N 2 2 383.536 3.811 20 0 GHADLP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc2n1CCCCC2 ZINC000272677592 847142992 /nfs/dbraw/zinc/14/29/92/847142992.db2.gz RJAMNYOWSNJZST-JBACZVJFSA-N 2 2 381.568 3.956 20 0 GHADLP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc2n1CCCCC2 ZINC000272677592 847142996 /nfs/dbraw/zinc/14/29/96/847142996.db2.gz RJAMNYOWSNJZST-JBACZVJFSA-N 2 2 381.568 3.956 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000420402456 847167007 /nfs/dbraw/zinc/16/70/07/847167007.db2.gz QJTRSXMHZKOJCW-PKOBYXMFSA-N 2 2 385.533 3.561 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000420402456 847167014 /nfs/dbraw/zinc/16/70/14/847167014.db2.gz QJTRSXMHZKOJCW-PKOBYXMFSA-N 2 2 385.533 3.561 20 0 GHADLP Cc1cc(CNC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(C)[nH+]1 ZINC000420853789 847488573 /nfs/dbraw/zinc/48/85/73/847488573.db2.gz UYUXNTANHZYFRX-HSZRJFAPSA-N 2 2 378.520 3.506 20 0 GHADLP Cc1cc(CNC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc(C)[nH+]1 ZINC000420853789 847488576 /nfs/dbraw/zinc/48/85/76/847488576.db2.gz UYUXNTANHZYFRX-HSZRJFAPSA-N 2 2 378.520 3.506 20 0 GHADLP CN(c1ccccc1)C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420918982 847539058 /nfs/dbraw/zinc/53/90/58/847539058.db2.gz XSXLGNDSULMXSA-UHFFFAOYSA-N 2 2 379.548 3.620 20 0 GHADLP c1cc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc(C[NH+]2CCOCC2)c1 ZINC000420935980 847555135 /nfs/dbraw/zinc/55/51/35/847555135.db2.gz KJMWUMGRWCHAFT-XMMPIXPASA-N 2 2 394.515 3.531 20 0 GHADLP Fc1cccc(CC2([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CCOCC2)c1 ZINC000420957425 847577147 /nfs/dbraw/zinc/57/71/47/847577147.db2.gz BPACEFWEIIMZQC-UHFFFAOYSA-N 2 2 398.522 3.539 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)c3nc(-c4ccccc4C)no3)CC2)CC1 ZINC000420981687 847589397 /nfs/dbraw/zinc/58/93/97/847589397.db2.gz NLUDSRKQBNRTDT-IBGZPJMESA-N 2 2 397.567 3.598 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3nc(-c4ccccc4C)no3)CC2)CC1 ZINC000420981687 847589406 /nfs/dbraw/zinc/58/94/06/847589406.db2.gz NLUDSRKQBNRTDT-IBGZPJMESA-N 2 2 397.567 3.598 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503375720 847650771 /nfs/dbraw/zinc/65/07/71/847650771.db2.gz MCQVZEKKBUVYGZ-PZJWPPBQSA-N 2 2 394.563 3.754 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503375720 847650777 /nfs/dbraw/zinc/65/07/77/847650777.db2.gz MCQVZEKKBUVYGZ-PZJWPPBQSA-N 2 2 394.563 3.754 20 0 GHADLP Fc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cn2)cc1 ZINC000502344060 847778284 /nfs/dbraw/zinc/77/82/84/847778284.db2.gz UECCSHSFWKBDHI-GOSISDBHSA-N 2 2 379.483 3.924 20 0 GHADLP Fc1ccc(-n2cc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cn2)cc1 ZINC000502344060 847778289 /nfs/dbraw/zinc/77/82/89/847778289.db2.gz UECCSHSFWKBDHI-GOSISDBHSA-N 2 2 379.483 3.924 20 0 GHADLP CCOC(=O)COc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502347265 847782650 /nfs/dbraw/zinc/78/26/50/847782650.db2.gz UNZHSVPKEJPUQH-IBGZPJMESA-N 2 2 397.519 3.541 20 0 GHADLP CCOC(=O)COc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502347265 847782656 /nfs/dbraw/zinc/78/26/56/847782656.db2.gz UNZHSVPKEJPUQH-IBGZPJMESA-N 2 2 397.519 3.541 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCCSc1ccccc1Br ZINC000422749973 847810008 /nfs/dbraw/zinc/81/00/08/847810008.db2.gz BQLFUHSITPCYMM-CABCVRRESA-N 2 2 387.387 3.678 20 0 GHADLP COc1ccc([C@H](Cc2ccccc2C)[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1OC ZINC000422788051 847822601 /nfs/dbraw/zinc/82/26/01/847822601.db2.gz RVHNRHSLVAHOFW-NYVOZVTQSA-N 2 2 398.547 3.653 20 0 GHADLP COc1ccc([C@@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422814820 847837206 /nfs/dbraw/zinc/83/72/06/847837206.db2.gz AGVQMPFHFCPFRL-DHIUTWEWSA-N 2 2 376.504 3.506 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCN(c3cccc(OC)c3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422898344 847877804 /nfs/dbraw/zinc/87/78/04/847877804.db2.gz DTXCGIRYRYPAJN-NWVWQQAFSA-N 2 2 395.547 3.613 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)[C@H]2CCC[NH2+]2)cc1 ZINC000423070896 847962456 /nfs/dbraw/zinc/96/24/56/847962456.db2.gz GVWYEMPLQDBPPO-LKDDOFHYSA-N 2 2 382.548 3.708 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000583053845 848964283 /nfs/dbraw/zinc/96/42/83/848964283.db2.gz YENVFBFGUQEETF-UXHICEINSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000583053845 848964287 /nfs/dbraw/zinc/96/42/87/848964287.db2.gz YENVFBFGUQEETF-UXHICEINSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000583053845 848964291 /nfs/dbraw/zinc/96/42/91/848964291.db2.gz YENVFBFGUQEETF-UXHICEINSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000583053845 848964294 /nfs/dbraw/zinc/96/42/94/848964294.db2.gz YENVFBFGUQEETF-UXHICEINSA-N 2 2 382.479 3.566 20 0 GHADLP C[C@H]([NH2+][C@H]1CCCCC[C@H]1[NH3+])c1ccc(Br)cc1OCCCO ZINC000423122031 849748362 /nfs/dbraw/zinc/74/83/62/849748362.db2.gz BVHBSOKXAKSUTR-XKQJLSEDSA-N 2 2 385.346 3.521 20 0 GHADLP [NH3+]C[C@H](NC1CC[NH+](Cc2ccccc2Br)CC1)C1CCCCC1 ZINC000414854764 849787715 /nfs/dbraw/zinc/78/77/15/849787715.db2.gz VKPBBRWGWGRUNV-FQEVSTJZSA-N 2 2 394.401 3.911 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000156213962 849820467 /nfs/dbraw/zinc/82/04/67/849820467.db2.gz WREYVKSMVYZVPB-UHFFFAOYSA-N 2 2 398.938 3.598 20 0 GHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000423248029 849829480 /nfs/dbraw/zinc/82/94/80/849829480.db2.gz RHYKWNXPSNLAFW-FOIQADDNSA-N 2 2 375.538 3.532 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000423316774 849853727 /nfs/dbraw/zinc/85/37/27/849853727.db2.gz ALVPWBIQOJJIFC-PBEJRMEISA-N 2 2 384.520 3.817 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000423325429 849866331 /nfs/dbraw/zinc/86/63/31/849866331.db2.gz IQDULGAQIOWZJN-JZWVFAODSA-N 2 2 395.547 3.764 20 0 GHADLP C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425250576 849921147 /nfs/dbraw/zinc/92/11/47/849921147.db2.gz WHWVUBJKEBUDHU-CUWPLCDZSA-N 2 2 380.536 3.701 20 0 GHADLP C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000425250576 849921156 /nfs/dbraw/zinc/92/11/56/849921156.db2.gz WHWVUBJKEBUDHU-CUWPLCDZSA-N 2 2 380.536 3.701 20 0 GHADLP COC[C@@]1(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CCC[NH2+]1 ZINC000423437909 849930379 /nfs/dbraw/zinc/93/03/79/849930379.db2.gz UNMHBJSSSCTTSA-UZLBHIALSA-N 2 2 375.513 3.685 20 0 GHADLP Brc1cccc([C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc2)c1 ZINC000423490005 849952723 /nfs/dbraw/zinc/95/27/23/849952723.db2.gz HEGBVAGSQVRRQB-RTBURBONSA-N 2 2 375.310 3.507 20 0 GHADLP O[C@H](C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C(F)(F)F ZINC000514599933 850042786 /nfs/dbraw/zinc/04/27/86/850042786.db2.gz QRUTZCLKEGMUEZ-LJQANCHMSA-N 2 2 375.394 3.611 20 0 GHADLP C[NH+]1CCC2(CCC(NC(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)CC2)CC1 ZINC000908494825 850135733 /nfs/dbraw/zinc/13/57/33/850135733.db2.gz NSNVONWCMZMCJC-FQEVSTJZSA-N 2 2 380.536 3.703 20 0 GHADLP Fc1cc2c(cc1Br)[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CO2 ZINC000504547751 850140406 /nfs/dbraw/zinc/14/04/06/850140406.db2.gz SFKYHBIOLGUFGE-MRXNPFEDSA-N 2 2 392.272 3.675 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1ccco1 ZINC000518891187 850287085 /nfs/dbraw/zinc/28/70/85/850287085.db2.gz OOGSXHACKRNQIH-HKUYNNGSSA-N 2 2 377.916 3.735 20 0 GHADLP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2c(Br)cnn2C)CC1 ZINC000486989519 850322081 /nfs/dbraw/zinc/32/20/81/850322081.db2.gz MGJRWNSUQCQDFA-UHFFFAOYSA-N 2 2 391.357 3.704 20 0 GHADLP Cn1ccnc1C[N@H+](Cc1cccc(C(F)(F)F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435431190 850489348 /nfs/dbraw/zinc/48/93/48/850489348.db2.gz HJEYDRCDANPSLN-QGZVFWFLSA-N 2 2 378.442 3.583 20 0 GHADLP Cn1ccnc1C[N@@H+](Cc1cccc(C(F)(F)F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435431190 850489351 /nfs/dbraw/zinc/48/93/51/850489351.db2.gz HJEYDRCDANPSLN-QGZVFWFLSA-N 2 2 378.442 3.583 20 0 GHADLP Cc1ncsc1C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC000435420029 850498927 /nfs/dbraw/zinc/49/89/27/850498927.db2.gz AMFYJHRQLSTZRC-OAHLLOKOSA-N 2 2 385.455 3.962 20 0 GHADLP Cc1ncsc1C[N@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC000435420029 850498932 /nfs/dbraw/zinc/49/89/32/850498932.db2.gz AMFYJHRQLSTZRC-OAHLLOKOSA-N 2 2 385.455 3.962 20 0 GHADLP CC(C)COc1ccc(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435431362 850515806 /nfs/dbraw/zinc/51/58/06/850515806.db2.gz CUKMWGOZDYBYRX-OAQYLSRUSA-N 2 2 382.552 3.599 20 0 GHADLP CC(C)COc1ccc(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435431362 850515810 /nfs/dbraw/zinc/51/58/10/850515810.db2.gz CUKMWGOZDYBYRX-OAQYLSRUSA-N 2 2 382.552 3.599 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000514947213 850522989 /nfs/dbraw/zinc/52/29/89/850522989.db2.gz QXGYXFXSSZCREJ-NQIIRXRSSA-N 2 2 388.515 3.827 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000514947213 850522996 /nfs/dbraw/zinc/52/29/96/850522996.db2.gz QXGYXFXSSZCREJ-NQIIRXRSSA-N 2 2 388.515 3.827 20 0 GHADLP CCC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000625502926 862163791 /nfs/dbraw/zinc/16/37/91/862163791.db2.gz FMLOYNSCZSBPHQ-NHCUHLMSSA-N 2 2 391.987 3.851 20 0 GHADLP CCC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000625502926 862163800 /nfs/dbraw/zinc/16/38/00/862163800.db2.gz FMLOYNSCZSBPHQ-NHCUHLMSSA-N 2 2 391.987 3.851 20 0 GHADLP Cc1cc(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)ccc1C[NH+](C)C ZINC000909925789 850854224 /nfs/dbraw/zinc/85/42/24/850854224.db2.gz ABDCHYMTCMFBDV-UHFFFAOYSA-N 2 2 377.492 3.618 20 0 GHADLP OCC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)cc1 ZINC000515534284 851141711 /nfs/dbraw/zinc/14/17/11/851141711.db2.gz SDOLSOAAJBZTNU-VXKWHMMOSA-N 2 2 388.939 3.644 20 0 GHADLP OCC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)cc1 ZINC000515534284 851141718 /nfs/dbraw/zinc/14/17/18/851141718.db2.gz SDOLSOAAJBZTNU-VXKWHMMOSA-N 2 2 388.939 3.644 20 0 GHADLP COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(C)c1OC ZINC000514081005 851215013 /nfs/dbraw/zinc/21/50/13/851215013.db2.gz ABQKDSZQRDQKEL-KRWDZBQOSA-N 2 2 379.504 3.978 20 0 GHADLP c1ccc([C@H]2CC[C@H]([NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)cc1 ZINC000436286735 851408542 /nfs/dbraw/zinc/40/85/42/851408542.db2.gz SVPBREGAYFYYBP-GOTSBHOMSA-N 2 2 380.532 3.824 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)NCCCn1cc[nH+]c1C)c1ccccc1Cl ZINC000515840976 851551249 /nfs/dbraw/zinc/55/12/49/851551249.db2.gz CRVTXWRZKCSPLY-IBGZPJMESA-N 2 2 391.947 3.617 20 0 GHADLP Cn1c[nH+]cc1CCC[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000519554182 851600517 /nfs/dbraw/zinc/60/05/17/851600517.db2.gz WAHBYHRYBBRELV-UHFFFAOYSA-N 2 2 381.351 3.520 20 0 GHADLP Cc1ccccc1[C@@H](C(C)C)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000488799857 851791555 /nfs/dbraw/zinc/79/15/55/851791555.db2.gz RCVYZFWIAIEMHL-XMMPIXPASA-N 2 2 394.563 3.758 20 0 GHADLP Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000488799857 851791560 /nfs/dbraw/zinc/79/15/60/851791560.db2.gz RCVYZFWIAIEMHL-XMMPIXPASA-N 2 2 394.563 3.758 20 0 GHADLP CCCCOc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000473762563 851854862 /nfs/dbraw/zinc/85/48/62/851854862.db2.gz KEDRVIVHMRZZIE-UHFFFAOYSA-N 2 2 395.975 3.617 20 0 GHADLP CCCCOc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000473762563 851854865 /nfs/dbraw/zinc/85/48/65/851854865.db2.gz KEDRVIVHMRZZIE-UHFFFAOYSA-N 2 2 395.975 3.617 20 0 GHADLP CN(C(=O)[C@H]1CC2CCC1CC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489135530 852054560 /nfs/dbraw/zinc/05/45/60/852054560.db2.gz ZVIXUMHOFPHJLT-ARKNQYIKSA-N 2 2 375.601 3.608 20 0 GHADLP CN(C(=O)[C@H]1CC2CCC1CC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489135530 852054567 /nfs/dbraw/zinc/05/45/67/852054567.db2.gz ZVIXUMHOFPHJLT-ARKNQYIKSA-N 2 2 375.601 3.608 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000604582742 862322320 /nfs/dbraw/zinc/32/23/20/862322320.db2.gz SMLVDILSLVZFOZ-WIYYLYMNSA-N 2 2 389.503 3.507 20 0 GHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000604582742 862322336 /nfs/dbraw/zinc/32/23/36/862322336.db2.gz SMLVDILSLVZFOZ-WIYYLYMNSA-N 2 2 389.503 3.507 20 0 GHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000604582739 862321677 /nfs/dbraw/zinc/32/16/77/862321677.db2.gz SMLVDILSLVZFOZ-GHTZIAJQSA-N 2 2 389.503 3.507 20 0 GHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000604582739 862321693 /nfs/dbraw/zinc/32/16/93/862321693.db2.gz SMLVDILSLVZFOZ-GHTZIAJQSA-N 2 2 389.503 3.507 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982837 852164146 /nfs/dbraw/zinc/16/41/46/852164146.db2.gz CAYMSHIEIUBIRO-VAJYSXGHSA-N 2 2 377.573 3.722 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982837 852164150 /nfs/dbraw/zinc/16/41/50/852164150.db2.gz CAYMSHIEIUBIRO-VAJYSXGHSA-N 2 2 377.573 3.722 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982837 852164155 /nfs/dbraw/zinc/16/41/55/852164155.db2.gz CAYMSHIEIUBIRO-VAJYSXGHSA-N 2 2 377.573 3.722 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982837 852164159 /nfs/dbraw/zinc/16/41/59/852164159.db2.gz CAYMSHIEIUBIRO-VAJYSXGHSA-N 2 2 377.573 3.722 20 0 GHADLP CCSc1ccc(Cl)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000438272848 852192102 /nfs/dbraw/zinc/19/21/02/852192102.db2.gz ROYDXUOVFBUDPS-UHFFFAOYSA-N 2 2 383.989 3.550 20 0 GHADLP CCSc1ccc(Cl)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000438272848 852192110 /nfs/dbraw/zinc/19/21/10/852192110.db2.gz ROYDXUOVFBUDPS-UHFFFAOYSA-N 2 2 383.989 3.550 20 0 GHADLP CC(=O)N(c1nc(C[NH+]2CCC(C[NH+](C)C)CC2)cs1)c1ccc(C)cc1 ZINC000506861654 852276368 /nfs/dbraw/zinc/27/63/68/852276368.db2.gz MHRUVGPVVNLKML-UHFFFAOYSA-N 2 2 386.565 3.910 20 0 GHADLP CC(C)[NH+](CCN(C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C(C)C ZINC000506885162 852288334 /nfs/dbraw/zinc/28/83/34/852288334.db2.gz VVVGFTXVEODFAC-IBGZPJMESA-N 2 2 390.572 3.662 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000894358949 852602114 /nfs/dbraw/zinc/60/21/14/852602114.db2.gz KMPJEIPXQCSDBF-MRXNPFEDSA-N 2 2 392.503 3.665 20 0 GHADLP CC[C@H]1CC[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000438940814 853108651 /nfs/dbraw/zinc/10/86/51/853108651.db2.gz CTEXUZJFGHQDKC-UGESXGAOSA-N 2 2 377.617 3.998 20 0 GHADLP CC[C@H]1CC[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000438940814 853108659 /nfs/dbraw/zinc/10/86/59/853108659.db2.gz CTEXUZJFGHQDKC-UGESXGAOSA-N 2 2 377.617 3.998 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000473870809 853253355 /nfs/dbraw/zinc/25/33/55/853253355.db2.gz ZOYMASGJFGKZRH-YJBOKZPZSA-N 2 2 396.457 3.737 20 0 GHADLP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]([NH3+])c3c(F)cccc3F)cc2)CC1 ZINC000517134850 853420225 /nfs/dbraw/zinc/42/02/25/853420225.db2.gz RXOUNVOBQXKUNN-NRFANRHFSA-N 2 2 387.474 3.513 20 0 GHADLP C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000414912172 853461277 /nfs/dbraw/zinc/46/12/77/853461277.db2.gz VGFFEQZITBJUKX-BBWFWOEESA-N 2 2 382.508 3.960 20 0 GHADLP C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000414912172 853461279 /nfs/dbraw/zinc/46/12/79/853461279.db2.gz VGFFEQZITBJUKX-BBWFWOEESA-N 2 2 382.508 3.960 20 0 GHADLP CC(C)=CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Cl)cc1 ZINC000439315253 853532326 /nfs/dbraw/zinc/53/23/26/853532326.db2.gz LWQNKYGBGUQHIA-UHFFFAOYSA-N 2 2 389.971 3.851 20 0 GHADLP CC(C)=CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Cl)cc1 ZINC000439315253 853532337 /nfs/dbraw/zinc/53/23/37/853532337.db2.gz LWQNKYGBGUQHIA-UHFFFAOYSA-N 2 2 389.971 3.851 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000440844646 853689590 /nfs/dbraw/zinc/68/95/90/853689590.db2.gz NASUHXRJOAVXBB-CBQOVEMMSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000440844646 853689599 /nfs/dbraw/zinc/68/95/99/853689599.db2.gz NASUHXRJOAVXBB-CBQOVEMMSA-N 2 2 397.567 3.661 20 0 GHADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000589209493 854750578 /nfs/dbraw/zinc/75/05/78/854750578.db2.gz OHGOGFUXCMANRR-QAPCUYQASA-N 2 2 398.954 3.646 20 0 GHADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000589209493 854750584 /nfs/dbraw/zinc/75/05/84/854750584.db2.gz OHGOGFUXCMANRR-QAPCUYQASA-N 2 2 398.954 3.646 20 0 GHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H]2C[N@@H+]4CCC[C@H]4CO2)CCC3)cc1 ZINC000765789679 854820163 /nfs/dbraw/zinc/82/01/63/854820163.db2.gz CQCFZIQXAOEMKU-QXAKKESOSA-N 2 2 399.560 3.649 20 0 GHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H]2C[N@H+]4CCC[C@H]4CO2)CCC3)cc1 ZINC000765789679 854820168 /nfs/dbraw/zinc/82/01/68/854820168.db2.gz CQCFZIQXAOEMKU-QXAKKESOSA-N 2 2 399.560 3.649 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+](CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000052208476 854925081 /nfs/dbraw/zinc/92/50/81/854925081.db2.gz XQQVFPRUYODUTE-UHFFFAOYSA-N 2 2 386.989 3.558 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+](CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000052208476 854925090 /nfs/dbraw/zinc/92/50/90/854925090.db2.gz XQQVFPRUYODUTE-UHFFFAOYSA-N 2 2 386.989 3.558 20 0 GHADLP c1csc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000589641645 855086231 /nfs/dbraw/zinc/08/62/31/855086231.db2.gz SRMDVRMIBRPRNB-UHFFFAOYSA-N 2 2 378.545 3.755 20 0 GHADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000536371448 855168873 /nfs/dbraw/zinc/16/88/73/855168873.db2.gz WYKRALJNIOMLJH-CVEARBPZSA-N 2 2 386.927 3.877 20 0 GHADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000589999681 855221002 /nfs/dbraw/zinc/22/10/02/855221002.db2.gz SGVABZNKKFBSLP-UHFFFAOYSA-N 2 2 396.560 3.969 20 0 GHADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000589999681 855221009 /nfs/dbraw/zinc/22/10/09/855221009.db2.gz SGVABZNKKFBSLP-UHFFFAOYSA-N 2 2 396.560 3.969 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C[NH+](C)C)cc2)c(C)c1 ZINC000441479079 855234548 /nfs/dbraw/zinc/23/45/48/855234548.db2.gz GYAKMEMBDVKRHQ-JOCHJYFZSA-N 2 2 376.504 3.733 20 0 GHADLP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c2ccccc2)CC1 ZINC000520502924 855545670 /nfs/dbraw/zinc/54/56/70/855545670.db2.gz RHOBYUZJQKJGFO-RTBURBONSA-N 2 2 389.465 3.670 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000330252883 862696254 /nfs/dbraw/zinc/69/62/54/862696254.db2.gz IPVIXZLGXOSDKT-FPOVZHCZSA-N 2 2 396.535 3.742 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000330252883 862696258 /nfs/dbraw/zinc/69/62/58/862696258.db2.gz IPVIXZLGXOSDKT-FPOVZHCZSA-N 2 2 396.535 3.742 20 0 GHADLP CC[NH+](CC)CC1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)CC1 ZINC000590785816 855585831 /nfs/dbraw/zinc/58/58/31/855585831.db2.gz VQEJIOAERSNRCC-UHFFFAOYSA-N 2 2 396.457 3.908 20 0 GHADLP Cn1cc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)c(-c2cccs2)n1 ZINC000093947599 855782398 /nfs/dbraw/zinc/78/23/98/855782398.db2.gz LRSLBLKZSCDDOI-UHFFFAOYSA-N 2 2 376.595 3.600 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000573079042 855856512 /nfs/dbraw/zinc/85/65/12/855856512.db2.gz PNUPGXDGDKZSQW-JTHBVZDNSA-N 3 2 387.531 3.530 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000573079042 855856521 /nfs/dbraw/zinc/85/65/21/855856521.db2.gz PNUPGXDGDKZSQW-JTHBVZDNSA-N 3 2 387.531 3.530 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)CC[N@@H+]1C ZINC000280949055 862771352 /nfs/dbraw/zinc/77/13/52/862771352.db2.gz JMWWKCPXCOWYBJ-IFUGULHKSA-N 2 2 395.263 3.574 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)CC[N@H+]1C ZINC000280949055 862771357 /nfs/dbraw/zinc/77/13/57/862771357.db2.gz JMWWKCPXCOWYBJ-IFUGULHKSA-N 2 2 395.263 3.574 20 0 GHADLP COc1ccc([C@H]2C[C@H](N(c3cc[nH+]c(OC)c3)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168677940 856624193 /nfs/dbraw/zinc/62/41/93/856624193.db2.gz RNULZLQIHZPPLI-IFMALSPDSA-N 2 2 397.519 3.578 20 0 GHADLP CCCCc1oc2ccccc2c1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000508061706 856867299 /nfs/dbraw/zinc/86/72/99/856867299.db2.gz DFSKBYOWOWDXQD-HXUWFJFHSA-N 2 2 385.552 3.808 20 0 GHADLP CCCCc1oc2ccccc2c1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000508061706 856867309 /nfs/dbraw/zinc/86/73/09/856867309.db2.gz DFSKBYOWOWDXQD-HXUWFJFHSA-N 2 2 385.552 3.808 20 0 GHADLP CC(C)(C)OCCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000671702357 857020889 /nfs/dbraw/zinc/02/08/89/857020889.db2.gz XAHCPGQFTZNFHG-UHFFFAOYSA-N 2 2 384.318 3.946 20 0 GHADLP CC(C)(C)OCCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000671702357 857020897 /nfs/dbraw/zinc/02/08/97/857020897.db2.gz XAHCPGQFTZNFHG-UHFFFAOYSA-N 2 2 384.318 3.946 20 0 GHADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253500 857051629 /nfs/dbraw/zinc/05/16/29/857051629.db2.gz SUUWVIFKWQRVJG-GZWGPKMKSA-N 2 2 384.474 3.898 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000282167681 857066312 /nfs/dbraw/zinc/06/63/12/857066312.db2.gz DOXUAPGPTLHUQW-MRXNPFEDSA-N 2 2 381.549 3.859 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CC(=O)N(C)c2ccccc2)cc1 ZINC000665255454 857107865 /nfs/dbraw/zinc/10/78/65/857107865.db2.gz STAJMKJOZPGYDH-LEOXJPRUSA-N 2 2 395.547 3.562 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000665257657 857148372 /nfs/dbraw/zinc/14/83/72/857148372.db2.gz PHNYVMRROHVJJO-NLSFWIRASA-N 3 2 385.527 3.562 20 0 GHADLP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cnn1-c1cc(C)ccc1C ZINC000658294292 857258384 /nfs/dbraw/zinc/25/83/84/857258384.db2.gz MMRGXDJGUXJWTI-RXVVDRJESA-N 2 2 382.552 3.701 20 0 GHADLP CC(=O)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000907124385 857484047 /nfs/dbraw/zinc/48/40/47/857484047.db2.gz PSJQKUBKOVILNN-GOTSBHOMSA-N 2 2 399.579 3.607 20 0 GHADLP CC(=O)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000907124385 857484050 /nfs/dbraw/zinc/48/40/50/857484050.db2.gz PSJQKUBKOVILNN-GOTSBHOMSA-N 2 2 399.579 3.607 20 0 GHADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675921114 857666283 /nfs/dbraw/zinc/66/62/83/857666283.db2.gz VLSMXOXQBMAAPQ-WIYYLYMNSA-N 2 2 376.504 3.735 20 0 GHADLP Fc1cc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c2c(c1)COCO2 ZINC000521315452 857864610 /nfs/dbraw/zinc/86/46/10/857864610.db2.gz LILYJIDJRCMWPV-UHFFFAOYSA-N 2 2 379.435 3.563 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676477933 857899289 /nfs/dbraw/zinc/89/92/89/857899289.db2.gz PJNOZIMLJKCDGK-NSHGMRRFSA-N 2 2 376.504 3.939 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676477933 857899293 /nfs/dbraw/zinc/89/92/93/857899293.db2.gz PJNOZIMLJKCDGK-NSHGMRRFSA-N 2 2 376.504 3.939 20 0 GHADLP C[C@H]1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000442606437 857994794 /nfs/dbraw/zinc/99/47/94/857994794.db2.gz FPLKIUULFPERDB-VQTJNVASSA-N 2 2 387.572 3.522 20 0 GHADLP Cc1oc2nc(C[N@@H+]3CCCC[C@H]3[C@@H](C[NH3+])Cc3ccccc3)nc(N)c2c1C ZINC000574637878 858126013 /nfs/dbraw/zinc/12/60/13/858126013.db2.gz JDTCDJRCBSGQJH-MOPGFXCFSA-N 2 2 393.535 3.594 20 0 GHADLP Cc1oc2nc(C[N@H+]3CCCC[C@H]3[C@@H](C[NH3+])Cc3ccccc3)nc(N)c2c1C ZINC000574637878 858126019 /nfs/dbraw/zinc/12/60/19/858126019.db2.gz JDTCDJRCBSGQJH-MOPGFXCFSA-N 2 2 393.535 3.594 20 0 GHADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543061239 858140672 /nfs/dbraw/zinc/14/06/72/858140672.db2.gz RAUIPLVMQMOXAM-VQTJNVASSA-N 2 2 382.552 3.950 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CCC2 ZINC000594490618 858189389 /nfs/dbraw/zinc/18/93/89/858189389.db2.gz NWNFVLGWJBIOIL-QFIPXVFZSA-N 2 2 375.472 3.885 20 0 GHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000574819930 858330694 /nfs/dbraw/zinc/33/06/94/858330694.db2.gz KUBDSGODEWCPIS-WIYYLYMNSA-N 2 2 390.487 3.598 20 0 GHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000574819930 858330704 /nfs/dbraw/zinc/33/07/04/858330704.db2.gz KUBDSGODEWCPIS-WIYYLYMNSA-N 2 2 390.487 3.598 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[N@@H+]1C ZINC000428266871 858354598 /nfs/dbraw/zinc/35/45/98/858354598.db2.gz MATVZFSKGWQAAM-HNAYVOBHSA-N 2 2 380.458 3.865 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[N@H+]1C ZINC000428266871 858354603 /nfs/dbraw/zinc/35/46/03/858354603.db2.gz MATVZFSKGWQAAM-HNAYVOBHSA-N 2 2 380.458 3.865 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[NH+]1C ZINC000428266871 858354605 /nfs/dbraw/zinc/35/46/05/858354605.db2.gz MATVZFSKGWQAAM-HNAYVOBHSA-N 2 2 380.458 3.865 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[NH+]1C ZINC000428266871 858354610 /nfs/dbraw/zinc/35/46/10/858354610.db2.gz MATVZFSKGWQAAM-HNAYVOBHSA-N 2 2 380.458 3.865 20 0 GHADLP COc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OCc1ccccc1 ZINC000521821938 858355478 /nfs/dbraw/zinc/35/54/78/858355478.db2.gz IBQSTTMZZQKCCI-PMACEKPBSA-N 2 2 398.547 3.863 20 0 GHADLP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000595048929 858379391 /nfs/dbraw/zinc/37/93/91/858379391.db2.gz HTXMXTNNQVRNRB-IUDNXUCKSA-N 2 2 378.479 3.749 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000428269364 858409993 /nfs/dbraw/zinc/40/99/93/858409993.db2.gz VJMUWQJKJNVCHE-UHFFFAOYSA-N 2 2 380.458 3.866 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000428269364 858409998 /nfs/dbraw/zinc/40/99/98/858409998.db2.gz VJMUWQJKJNVCHE-UHFFFAOYSA-N 2 2 380.458 3.866 20 0 GHADLP CC(C)[C@H](CC1CCCCC1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000115351972 858505540 /nfs/dbraw/zinc/50/55/40/858505540.db2.gz VMQUMXWPARZKHI-QFIPXVFZSA-N 2 2 377.617 3.904 20 0 GHADLP O=C(NC1CC1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000067437821 858569697 /nfs/dbraw/zinc/56/96/97/858569697.db2.gz VOBGBQVEBBWAFB-REWPJTCUSA-N 2 2 377.532 3.508 20 0 GHADLP O=C(NC1CC1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000067437821 858569700 /nfs/dbraw/zinc/56/97/00/858569700.db2.gz VOBGBQVEBBWAFB-REWPJTCUSA-N 2 2 377.532 3.508 20 0 GHADLP O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000575127089 858573620 /nfs/dbraw/zinc/57/36/20/858573620.db2.gz YLFYFEKVXFRKGG-QGZVFWFLSA-N 2 2 384.549 3.662 20 0 GHADLP CC(C)CC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000115675736 858614061 /nfs/dbraw/zinc/61/40/61/858614061.db2.gz RRRVYPJISYXDFS-HXUWFJFHSA-N 2 2 380.621 3.695 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000596118209 858784059 /nfs/dbraw/zinc/78/40/59/858784059.db2.gz SGVFBBBBZJBLEZ-QMMLZNLJSA-N 2 2 387.568 3.640 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000596118209 858784064 /nfs/dbraw/zinc/78/40/64/858784064.db2.gz SGVFBBBBZJBLEZ-QMMLZNLJSA-N 2 2 387.568 3.640 20 0 GHADLP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001129274480 858830582 /nfs/dbraw/zinc/83/05/82/858830582.db2.gz KWBJVBSXQGWWIB-HXUWFJFHSA-N 2 2 388.943 3.604 20 0 GHADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001129274480 858830591 /nfs/dbraw/zinc/83/05/91/858830591.db2.gz KWBJVBSXQGWWIB-HXUWFJFHSA-N 2 2 388.943 3.604 20 0 GHADLP Cn1c(NCc2ccccc2C[N@H+](C)Cc2ccco2)[nH+]c2cccc(F)c21 ZINC000443520913 858882090 /nfs/dbraw/zinc/88/20/90/858882090.db2.gz HHBTYSUJFUYNDN-UHFFFAOYSA-N 2 2 378.451 3.971 20 0 GHADLP Cn1c(NCc2ccccc2C[N@@H+](C)Cc2ccco2)[nH+]c2cccc(F)c21 ZINC000443520913 858882096 /nfs/dbraw/zinc/88/20/96/858882096.db2.gz HHBTYSUJFUYNDN-UHFFFAOYSA-N 2 2 378.451 3.971 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000443547759 858927835 /nfs/dbraw/zinc/92/78/35/858927835.db2.gz DFLSOQHODYBADL-XMGTWHOFSA-N 2 2 392.632 3.934 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000443547759 858927838 /nfs/dbraw/zinc/92/78/38/858927838.db2.gz DFLSOQHODYBADL-XMGTWHOFSA-N 2 2 392.632 3.934 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccnc(Cl)c3Cl)C2)ccn1 ZINC000856550217 881365636 /nfs/dbraw/zinc/36/56/36/881365636.db2.gz ATMLRPJDZXRHAQ-QGZVFWFLSA-N 2 2 395.334 3.888 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccnc(Cl)c3Cl)C2)ccn1 ZINC000856550217 881365656 /nfs/dbraw/zinc/36/56/56/881365656.db2.gz ATMLRPJDZXRHAQ-QGZVFWFLSA-N 2 2 395.334 3.888 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccnc(Cl)c3Cl)C2)ccn1 ZINC000856550217 881365677 /nfs/dbraw/zinc/36/56/77/881365677.db2.gz ATMLRPJDZXRHAQ-QGZVFWFLSA-N 2 2 395.334 3.888 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccnc(Cl)c3Cl)C2)ccn1 ZINC000856550217 881365698 /nfs/dbraw/zinc/36/56/98/881365698.db2.gz ATMLRPJDZXRHAQ-QGZVFWFLSA-N 2 2 395.334 3.888 20 0 GHADLP COc1cc2c(cc1OC)[C@H](Nc1ccc(N3CCC([NH+](C)C)CC3)c[nH+]1)CC2 ZINC000479429660 859071250 /nfs/dbraw/zinc/07/12/50/859071250.db2.gz WSZBNMXXCIZNIX-HXUWFJFHSA-N 2 2 396.535 3.729 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)[C@@H](C)C1 ZINC000483133844 859171442 /nfs/dbraw/zinc/17/14/42/859171442.db2.gz JXORRTSHPZYFLW-HFMPRLQTSA-N 3 2 387.612 3.939 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)[C@@H](C)C1 ZINC000483133844 859171451 /nfs/dbraw/zinc/17/14/51/859171451.db2.gz JXORRTSHPZYFLW-HFMPRLQTSA-N 3 2 387.612 3.939 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)c(C)c1 ZINC000483206029 859205752 /nfs/dbraw/zinc/20/57/52/859205752.db2.gz ZZZOOIAGZYJHIO-RBBKRZOGSA-N 2 2 397.567 3.805 20 0 GHADLP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000483418315 859351312 /nfs/dbraw/zinc/35/13/12/859351312.db2.gz IUQOINRWQNRUMN-YADHBBJMSA-N 2 2 378.564 3.985 20 0 GHADLP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000483418315 859351319 /nfs/dbraw/zinc/35/13/19/859351319.db2.gz IUQOINRWQNRUMN-YADHBBJMSA-N 2 2 378.564 3.985 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429453075 859410733 /nfs/dbraw/zinc/41/07/33/859410733.db2.gz ZWWJMGIEYOGPJF-RDPSFJRHSA-N 2 2 382.548 3.897 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429453075 859410738 /nfs/dbraw/zinc/41/07/38/859410738.db2.gz ZWWJMGIEYOGPJF-RDPSFJRHSA-N 2 2 382.548 3.897 20 0 GHADLP O=[S@](CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483511946 859425787 /nfs/dbraw/zinc/42/57/87/859425787.db2.gz KLDOBBZQMYSNAD-VBANMALSSA-N 2 2 382.573 3.781 20 0 GHADLP O=[S@](CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483511946 859425790 /nfs/dbraw/zinc/42/57/90/859425790.db2.gz KLDOBBZQMYSNAD-VBANMALSSA-N 2 2 382.573 3.781 20 0 GHADLP O=[S@](CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483511946 859425792 /nfs/dbraw/zinc/42/57/92/859425792.db2.gz KLDOBBZQMYSNAD-VBANMALSSA-N 2 2 382.573 3.781 20 0 GHADLP O=[S@](CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483511946 859425795 /nfs/dbraw/zinc/42/57/95/859425795.db2.gz KLDOBBZQMYSNAD-VBANMALSSA-N 2 2 382.573 3.781 20 0 GHADLP CC[N@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062286 859436604 /nfs/dbraw/zinc/43/66/04/859436604.db2.gz NXSWEEDIYOQJNE-UHFFFAOYSA-N 2 2 394.475 3.549 20 0 GHADLP CC[N@@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062286 859436611 /nfs/dbraw/zinc/43/66/11/859436611.db2.gz NXSWEEDIYOQJNE-UHFFFAOYSA-N 2 2 394.475 3.549 20 0 GHADLP COc1cc2c(cc1C[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)OCO2 ZINC000509444374 859455654 /nfs/dbraw/zinc/45/56/54/859455654.db2.gz OWUIJLLRXVNMCA-JOCHJYFZSA-N 2 2 382.504 3.814 20 0 GHADLP COc1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)OCO2 ZINC000509444374 859455658 /nfs/dbraw/zinc/45/56/58/859455658.db2.gz OWUIJLLRXVNMCA-JOCHJYFZSA-N 2 2 382.504 3.814 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(OC4CCCCC4)cc3)CC2)CC1 ZINC000117774911 859617833 /nfs/dbraw/zinc/61/78/33/859617833.db2.gz CBKFAVBEBVZFOB-UHFFFAOYSA-N 2 2 399.579 3.687 20 0 GHADLP Brc1ccc(-c2ccn(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000765012533 859727324 /nfs/dbraw/zinc/72/73/24/859727324.db2.gz MDRPIUJIPPTVEZ-QGZVFWFLSA-N 2 2 386.297 3.804 20 0 GHADLP Brc1ccc(-c2ccn(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000765012533 859727330 /nfs/dbraw/zinc/72/73/30/859727330.db2.gz MDRPIUJIPPTVEZ-QGZVFWFLSA-N 2 2 386.297 3.804 20 0 GHADLP CC1CC[NH+]([C@@H](CNC(=O)NCc2ccn3cc[nH+]c3c2)c2ccccc2)CC1 ZINC000474269145 859735249 /nfs/dbraw/zinc/73/52/49/859735249.db2.gz ZBLGPEDXBUIKJW-NRFANRHFSA-N 2 2 391.519 3.607 20 0 GHADLP Cc1c([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cnn1-c1ccccc1 ZINC000765090437 859776425 /nfs/dbraw/zinc/77/64/25/859776425.db2.gz SKESRYGINUABOR-IBGZPJMESA-N 2 2 390.531 3.864 20 0 GHADLP O[C@]1(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484137290 859845977 /nfs/dbraw/zinc/84/59/77/859845977.db2.gz CSZBWIXUUFMWOO-UNMCSNQZSA-N 2 2 386.923 3.780 20 0 GHADLP O[C@]1(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484137290 859845988 /nfs/dbraw/zinc/84/59/88/859845988.db2.gz CSZBWIXUUFMWOO-UNMCSNQZSA-N 2 2 386.923 3.780 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCN1c1ccc(Cl)cc1Cl ZINC000474428200 860087152 /nfs/dbraw/zinc/08/71/52/860087152.db2.gz QKDWPEBHYXBGBZ-BFYDXBDKSA-N 2 2 382.335 3.705 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCN1c1ccc(Cl)cc1Cl ZINC000474428200 860087163 /nfs/dbraw/zinc/08/71/63/860087163.db2.gz QKDWPEBHYXBGBZ-BFYDXBDKSA-N 2 2 382.335 3.705 20 0 GHADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C1CC[NH+]([C@H](C)c3ccncc3)CC1)CC2 ZINC000280270878 860094140 /nfs/dbraw/zinc/09/41/40/860094140.db2.gz XWDONLGKUKGTTG-IERDGZPVSA-N 2 2 381.520 3.901 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000532218523 881500157 /nfs/dbraw/zinc/50/01/57/881500157.db2.gz ANRLAKCANWTIAT-ROUUACIJSA-N 2 2 379.976 3.787 20 0 GHADLP COC(=O)c1coc([C@@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000602801786 860286661 /nfs/dbraw/zinc/28/66/61/860286661.db2.gz ZNVSYZOTLFFGGW-QGZVFWFLSA-N 2 2 383.492 3.510 20 0 GHADLP COC(=O)c1coc([C@@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000602801786 860286667 /nfs/dbraw/zinc/28/66/67/860286667.db2.gz ZNVSYZOTLFFGGW-QGZVFWFLSA-N 2 2 383.492 3.510 20 0 GHADLP COc1ccc(OC)c([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000508978677 860381123 /nfs/dbraw/zinc/38/11/23/860381123.db2.gz PGZNVRCRGJUPDV-IBGZPJMESA-N 2 2 383.536 3.567 20 0 GHADLP Fc1cccc(Br)c1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904475201 860466910 /nfs/dbraw/zinc/46/69/10/860466910.db2.gz ZMFUACAEJCSVSO-IEBWSBKVSA-N 2 2 391.284 3.934 20 0 GHADLP CCOc1cccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000155168052 881560758 /nfs/dbraw/zinc/56/07/58/881560758.db2.gz DSJZAYPRXIMPIO-IBGZPJMESA-N 2 2 384.520 3.647 20 0 GHADLP COC(=O)CC1CCC([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)CC1 ZINC000599035829 860752043 /nfs/dbraw/zinc/75/20/43/860752043.db2.gz UYVDNTILPXVQPA-LWEYNCJUSA-N 2 2 388.552 3.598 20 0 GHADLP C[C@@H]1C[C@H](N(C)C(=O)NCCCNc2cccc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000156638872 860892960 /nfs/dbraw/zinc/89/29/60/860892960.db2.gz IHDXCQHNTNVOFM-TZIWHRDSSA-N 2 2 395.551 3.578 20 0 GHADLP C[C@@H]1C[C@H](N(C)C(=O)NCCCNc2cccc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000156638872 860892976 /nfs/dbraw/zinc/89/29/76/860892976.db2.gz IHDXCQHNTNVOFM-TZIWHRDSSA-N 2 2 395.551 3.578 20 0 GHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623428488 861056122 /nfs/dbraw/zinc/05/61/22/861056122.db2.gz MLJMOKJPVNFXNZ-IAGOWNOFSA-N 2 2 384.467 3.740 20 0 GHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623428488 861056137 /nfs/dbraw/zinc/05/61/37/861056137.db2.gz MLJMOKJPVNFXNZ-IAGOWNOFSA-N 2 2 384.467 3.740 20 0 GHADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000623438590 861066259 /nfs/dbraw/zinc/06/62/59/861066259.db2.gz FDXLEVZFTVGGEU-UHFFFAOYSA-N 2 2 392.437 3.746 20 0 GHADLP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC000673651542 861127737 /nfs/dbraw/zinc/12/77/37/861127737.db2.gz QPJVFQZRXHQCFK-SFHVURJKSA-N 2 2 397.350 3.805 20 0 GHADLP CC[NH+](CC)CCCC1CC[NH+](Cc2nnnn2-c2c(C)cccc2C)CC1 ZINC000182736064 863341894 /nfs/dbraw/zinc/34/18/94/863341894.db2.gz DZYITTHEIWCPLP-UHFFFAOYSA-N 2 2 384.572 3.613 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cncc(F)c1 ZINC000482627684 863402251 /nfs/dbraw/zinc/40/22/51/863402251.db2.gz HFFVUUJQGDJBLM-MRXNPFEDSA-N 2 2 376.907 3.737 20 0 GHADLP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(O[C@@H]2CCOC2)c1 ZINC000120567548 881671165 /nfs/dbraw/zinc/67/11/65/881671165.db2.gz BCKJHAUVRSTXNJ-XMMPIXPASA-N 2 2 394.559 3.959 20 0 GHADLP CC(C)c1ccc([C@@H](C)CC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000606370602 863565322 /nfs/dbraw/zinc/56/53/22/863565322.db2.gz NJYNQTVRSJJEBA-CVDCTZTESA-N 2 2 385.596 3.931 20 0 GHADLP CC(C)c1ccc([C@@H](C)CC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000606370602 863565330 /nfs/dbraw/zinc/56/53/30/863565330.db2.gz NJYNQTVRSJJEBA-CVDCTZTESA-N 2 2 385.596 3.931 20 0 GHADLP COc1ccc([C@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)[NH+]2CCCCC2)cc1 ZINC000606582478 863730407 /nfs/dbraw/zinc/73/04/07/863730407.db2.gz QXMARPVQVXMKNH-FQEVSTJZSA-N 2 2 393.491 3.692 20 0 GHADLP Cc1ccc(N2CCC(C(=O)N(CC[NH+]3CCCC3)c3ccccc3)CC2)[nH+]c1 ZINC000606813314 863842478 /nfs/dbraw/zinc/84/24/78/863842478.db2.gz DSMZLUHOCRFRCM-UHFFFAOYSA-N 2 2 392.547 3.735 20 0 GHADLP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)c2)C1 ZINC000856775284 881736701 /nfs/dbraw/zinc/73/67/01/881736701.db2.gz JXEFYLBMUBZIFK-JOCHJYFZSA-N 2 2 393.531 3.580 20 0 GHADLP C[N@H+]1CCC[C@@H](c2cccc(C(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)c2)C1 ZINC000856775284 881736708 /nfs/dbraw/zinc/73/67/08/881736708.db2.gz JXEFYLBMUBZIFK-JOCHJYFZSA-N 2 2 393.531 3.580 20 0 GHADLP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1c(F)cccc1Cl ZINC000475147376 864298382 /nfs/dbraw/zinc/29/83/82/864298382.db2.gz DAADGFALLXKMSD-KBXCAEBGSA-N 2 2 377.891 3.549 20 0 GHADLP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c2ccccc21 ZINC000621755910 864404141 /nfs/dbraw/zinc/40/41/41/864404141.db2.gz DKFILEDNOWWNII-VGOFRKELSA-N 2 2 378.520 3.695 20 0 GHADLP C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163720888 864558200 /nfs/dbraw/zinc/55/82/00/864558200.db2.gz FPAQKQTUQLQERI-CVDCTZTESA-N 2 2 376.504 3.596 20 0 GHADLP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000554566240 864574122 /nfs/dbraw/zinc/57/41/22/864574122.db2.gz ZTIALINFWHZRLS-MSOLQXFVSA-N 2 2 396.535 3.825 20 0 GHADLP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000554566240 864574135 /nfs/dbraw/zinc/57/41/35/864574135.db2.gz ZTIALINFWHZRLS-MSOLQXFVSA-N 2 2 396.535 3.825 20 0 GHADLP FC(F)(F)c1ccc(OCCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)nc1 ZINC000480453485 864656895 /nfs/dbraw/zinc/65/68/95/864656895.db2.gz KUSZSTVDOSZXBV-UHFFFAOYSA-N 2 2 382.411 3.906 20 0 GHADLP FC(F)(F)c1ccc(OCCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000480475214 864720839 /nfs/dbraw/zinc/72/08/39/864720839.db2.gz MQSYETUIGNBGEP-UHFFFAOYSA-N 2 2 376.382 3.845 20 0 GHADLP C[C@]12CC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@H]1C2(Cl)Cl ZINC000792913503 881808171 /nfs/dbraw/zinc/80/81/71/881808171.db2.gz UYYSJYPCEJIOFZ-OTWHNJEPSA-N 2 2 383.363 3.793 20 0 GHADLP C[C@]12CC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@H]1C2(Cl)Cl ZINC000792913503 881808182 /nfs/dbraw/zinc/80/81/82/881808182.db2.gz UYYSJYPCEJIOFZ-OTWHNJEPSA-N 2 2 383.363 3.793 20 0 GHADLP C[C@]12CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C[C@H]1C2(Cl)Cl ZINC000792913503 881808194 /nfs/dbraw/zinc/80/81/94/881808194.db2.gz UYYSJYPCEJIOFZ-OTWHNJEPSA-N 2 2 383.363 3.793 20 0 GHADLP C[C@]12CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C[C@H]1C2(Cl)Cl ZINC000792913503 881808207 /nfs/dbraw/zinc/80/82/07/881808207.db2.gz UYYSJYPCEJIOFZ-OTWHNJEPSA-N 2 2 383.363 3.793 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccccc3F)s2)C1 ZINC000554820635 864954948 /nfs/dbraw/zinc/95/49/48/864954948.db2.gz SPRYUCFBVSGKHS-HZPDHXFCSA-N 2 2 392.544 3.838 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccccc3F)s2)C1 ZINC000554820635 864954957 /nfs/dbraw/zinc/95/49/57/864954957.db2.gz SPRYUCFBVSGKHS-HZPDHXFCSA-N 2 2 392.544 3.838 20 0 GHADLP CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000665625613 865021628 /nfs/dbraw/zinc/02/16/28/865021628.db2.gz IFYMGUXCOCBSBD-ROUUACIJSA-N 2 2 390.572 3.538 20 0 GHADLP CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000665625613 865021643 /nfs/dbraw/zinc/02/16/43/865021643.db2.gz IFYMGUXCOCBSBD-ROUUACIJSA-N 2 2 390.572 3.538 20 0 GHADLP FC(F)(F)Cn1cc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cn1 ZINC000554888637 865091531 /nfs/dbraw/zinc/09/15/31/865091531.db2.gz QVQXRZCXECFULZ-ZWKOTPCHSA-N 2 2 375.398 3.660 20 0 GHADLP Cc1ccc(C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccn2)cc1 ZINC000655716351 865105023 /nfs/dbraw/zinc/10/50/23/865105023.db2.gz SOQCXXXSZBDDJY-ISKFKSNPSA-N 2 2 379.548 3.907 20 0 GHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(Br)ccc1Br ZINC000480704854 865118234 /nfs/dbraw/zinc/11/82/34/865118234.db2.gz GRSQALNFNDQGNR-QMTHXVAHSA-N 2 2 376.136 3.641 20 0 GHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(Br)ccc1Br ZINC000480704854 865118245 /nfs/dbraw/zinc/11/82/45/865118245.db2.gz GRSQALNFNDQGNR-QMTHXVAHSA-N 2 2 376.136 3.641 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000608278106 865168634 /nfs/dbraw/zinc/16/86/34/865168634.db2.gz BUAZDBSCYXRGFQ-UHFFFAOYSA-N 2 2 398.526 3.982 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000608278106 865168642 /nfs/dbraw/zinc/16/86/42/865168642.db2.gz BUAZDBSCYXRGFQ-UHFFFAOYSA-N 2 2 398.526 3.982 20 0 GHADLP Cc1cccc([C@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)c1 ZINC000480758305 865238750 /nfs/dbraw/zinc/23/87/50/865238750.db2.gz NAWPNQDLPVPCDK-YKSBVNFPSA-N 2 2 390.531 3.905 20 0 GHADLP Brc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2cccnc2)CC1 ZINC000301312711 865277988 /nfs/dbraw/zinc/27/79/88/865277988.db2.gz JEDPRKIFJCOHAN-UHFFFAOYSA-N 2 2 383.293 3.715 20 0 GHADLP O[C@H](C[NH2+][C@H]1CCSc2c(Cl)cccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000480792299 865284419 /nfs/dbraw/zinc/28/44/19/865284419.db2.gz CTMPQIRSWUCFJI-XLIONFOSSA-N 2 2 388.964 3.886 20 0 GHADLP O[C@H](C[NH2+][C@H]1CCSc2c(Cl)cccc21)C[N@H+]1CCc2ccccc2C1 ZINC000480792299 865284425 /nfs/dbraw/zinc/28/44/25/865284425.db2.gz CTMPQIRSWUCFJI-XLIONFOSSA-N 2 2 388.964 3.886 20 0 GHADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H](C(C)C)[NH+]3C[C@@H](C)O[C@H](C)C3)c2C1 ZINC000494535950 881873591 /nfs/dbraw/zinc/87/35/91/881873591.db2.gz FCFLTCMYWMIXLP-HMFYCAOWSA-N 2 2 387.568 3.731 20 0 GHADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H](C(C)C)[NH+]3C[C@@H](C)O[C@H](C)C3)c2C1 ZINC000494535950 881873607 /nfs/dbraw/zinc/87/36/07/881873607.db2.gz FCFLTCMYWMIXLP-HMFYCAOWSA-N 2 2 387.568 3.731 20 0 GHADLP Cc1cn(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(=O)n1-c1ccccc1Cl ZINC000738091411 865484009 /nfs/dbraw/zinc/48/40/09/865484009.db2.gz WMGGMFGXFJUICG-UHFFFAOYSA-N 2 2 390.959 3.611 20 0 GHADLP Cc1cn(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(=O)n1-c1ccccc1Cl ZINC000738091411 865484019 /nfs/dbraw/zinc/48/40/19/865484019.db2.gz WMGGMFGXFJUICG-UHFFFAOYSA-N 2 2 390.959 3.611 20 0 GHADLP CCC[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000738091564 865484375 /nfs/dbraw/zinc/48/43/75/865484375.db2.gz ZSBINDMFNHKONO-QGZVFWFLSA-N 2 2 379.614 3.825 20 0 GHADLP CCC[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC000738091564 865484380 /nfs/dbraw/zinc/48/43/80/865484380.db2.gz ZSBINDMFNHKONO-QGZVFWFLSA-N 2 2 379.614 3.825 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N(Cc3ccccc3)C3CCCCC3)C2)CC1 ZINC000608686293 865567570 /nfs/dbraw/zinc/56/75/70/865567570.db2.gz LYIQGJYUXAJASJ-OAQYLSRUSA-N 2 2 398.595 3.699 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N(Cc3ccccc3)C3CCCCC3)C2)CC1 ZINC000608686293 865567579 /nfs/dbraw/zinc/56/75/79/865567579.db2.gz LYIQGJYUXAJASJ-OAQYLSRUSA-N 2 2 398.595 3.699 20 0 GHADLP COCCc1ccc(OC[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000667801394 865675682 /nfs/dbraw/zinc/67/56/82/865675682.db2.gz GYWUCHYXKOKHLH-KRWDZBQOSA-N 2 2 383.467 3.757 20 0 GHADLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000481053367 865746149 /nfs/dbraw/zinc/74/61/49/865746149.db2.gz JKNOKBHXUKZFSW-FSPWUOQZSA-N 2 2 393.318 3.878 20 0 GHADLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000481053367 865746153 /nfs/dbraw/zinc/74/61/53/865746153.db2.gz JKNOKBHXUKZFSW-FSPWUOQZSA-N 2 2 393.318 3.878 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NCCC1=CCCCC1 ZINC000481167526 865908477 /nfs/dbraw/zinc/90/84/77/865908477.db2.gz GYROCPAAYCRBQN-JTAQYXEDSA-N 2 2 383.580 3.882 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NCCC1=CCCCC1 ZINC000481167526 865908485 /nfs/dbraw/zinc/90/84/85/865908485.db2.gz GYROCPAAYCRBQN-JTAQYXEDSA-N 2 2 383.580 3.882 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000302800978 865930733 /nfs/dbraw/zinc/93/07/33/865930733.db2.gz TURRBDUSEYOHML-SFHVURJKSA-N 2 2 397.592 3.874 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000302800978 865930736 /nfs/dbraw/zinc/93/07/36/865930736.db2.gz TURRBDUSEYOHML-SFHVURJKSA-N 2 2 397.592 3.874 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000302800978 865930741 /nfs/dbraw/zinc/93/07/41/865930741.db2.gz TURRBDUSEYOHML-SFHVURJKSA-N 2 2 397.592 3.874 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000302800978 865930746 /nfs/dbraw/zinc/93/07/46/865930746.db2.gz TURRBDUSEYOHML-SFHVURJKSA-N 2 2 397.592 3.874 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000481183348 865946277 /nfs/dbraw/zinc/94/62/77/865946277.db2.gz ROUQCDQLSKNWND-YWZLYKJASA-N 2 2 389.902 3.918 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000481183348 865946279 /nfs/dbraw/zinc/94/62/79/865946279.db2.gz ROUQCDQLSKNWND-YWZLYKJASA-N 2 2 389.902 3.918 20 0 GHADLP CCN(C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000481186384 865952002 /nfs/dbraw/zinc/95/20/02/865952002.db2.gz FRUUYKPBNVNAOT-SXWKCWPCSA-N 2 2 379.548 3.928 20 0 GHADLP CCN(C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000481186384 865952009 /nfs/dbraw/zinc/95/20/09/865952009.db2.gz FRUUYKPBNVNAOT-SXWKCWPCSA-N 2 2 379.548 3.928 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000481185667 865952792 /nfs/dbraw/zinc/95/27/92/865952792.db2.gz WRWNTOSYDQPMBM-NPPFBWRTSA-N 2 2 383.511 3.961 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000481185667 865952798 /nfs/dbraw/zinc/95/27/98/865952798.db2.gz WRWNTOSYDQPMBM-NPPFBWRTSA-N 2 2 383.511 3.961 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000481185665 865953661 /nfs/dbraw/zinc/95/36/61/865953661.db2.gz WRWNTOSYDQPMBM-FGSXEWAUSA-N 2 2 383.511 3.961 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000481185665 865953666 /nfs/dbraw/zinc/95/36/66/865953666.db2.gz WRWNTOSYDQPMBM-FGSXEWAUSA-N 2 2 383.511 3.961 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+][C@@H]3CC[C@@H](C)C[C@H]3C)n2)CC1 ZINC000481192376 865977969 /nfs/dbraw/zinc/97/79/69/865977969.db2.gz QUHDURZNBCFTGS-JFIYKMOQSA-N 2 2 378.586 3.728 20 0 GHADLP CSc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481197014 865989073 /nfs/dbraw/zinc/98/90/73/865989073.db2.gz ZPDIKBPWBAVNIF-DYESRHJHSA-N 2 2 383.561 3.847 20 0 GHADLP CSc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481197014 865989079 /nfs/dbraw/zinc/98/90/79/865989079.db2.gz ZPDIKBPWBAVNIF-DYESRHJHSA-N 2 2 383.561 3.847 20 0 GHADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000151898833 866008664 /nfs/dbraw/zinc/00/86/64/866008664.db2.gz UKVRARJAEUCKCK-RBUKOAKNSA-N 2 2 399.539 3.612 20 0 GHADLP CC[N@H+](C[C@@H](O)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000740880638 866064951 /nfs/dbraw/zinc/06/49/51/866064951.db2.gz ZCQLHMOUCFROBC-OAQYLSRUSA-N 2 2 382.552 3.933 20 0 GHADLP CC[N@@H+](C[C@@H](O)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000740880638 866064967 /nfs/dbraw/zinc/06/49/67/866064967.db2.gz ZCQLHMOUCFROBC-OAQYLSRUSA-N 2 2 382.552 3.933 20 0 GHADLP OC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1OC(F)(F)F ZINC000475569460 866341164 /nfs/dbraw/zinc/34/11/64/866341164.db2.gz JBDVCSCIOZYVOB-OAHLLOKOSA-N 2 2 383.395 3.656 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)cc1 ZINC000534355477 866605905 /nfs/dbraw/zinc/60/59/05/866605905.db2.gz XPJMKIIFEISBEW-UHFFFAOYSA-N 2 2 390.318 3.926 20 0 GHADLP CN(C(=O)Cc1ccc2c(c1)CCC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359970 866643839 /nfs/dbraw/zinc/64/38/39/866643839.db2.gz KRWMPRDDSNSBEP-RPWUZVMVSA-N 2 2 397.607 3.513 20 0 GHADLP CN(C(=O)Cc1ccc2c(c1)CCC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359970 866643846 /nfs/dbraw/zinc/64/38/46/866643846.db2.gz KRWMPRDDSNSBEP-RPWUZVMVSA-N 2 2 397.607 3.513 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+](C)C)cc1 ZINC000553060452 866720446 /nfs/dbraw/zinc/72/04/46/866720446.db2.gz CGTGPEABFFXBMF-NHCUHLMSSA-N 2 2 376.504 3.659 20 0 GHADLP CCCOC(=O)[C@@H](C)[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000741794158 866800005 /nfs/dbraw/zinc/80/00/05/866800005.db2.gz GHOMWGJOLOBPDR-QGZVFWFLSA-N 2 2 376.545 3.541 20 0 GHADLP CCCOC(=O)[C@@H](C)[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000741794158 866800011 /nfs/dbraw/zinc/80/00/11/866800011.db2.gz GHOMWGJOLOBPDR-QGZVFWFLSA-N 2 2 376.545 3.541 20 0 GHADLP C[C@@]1(CNC2CC[NH+](Cc3ccncc3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000152979012 866897643 /nfs/dbraw/zinc/89/76/43/866897643.db2.gz XPRLZJZAWHUHCI-DEOSSOPVSA-N 2 2 378.564 3.690 20 0 GHADLP C[C@@]1(CNC2CC[NH+](Cc3ccncc3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000152979012 866897663 /nfs/dbraw/zinc/89/76/63/866897663.db2.gz XPRLZJZAWHUHCI-DEOSSOPVSA-N 2 2 378.564 3.690 20 0 GHADLP CC/C(=C\C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000742011860 866978652 /nfs/dbraw/zinc/97/86/52/866978652.db2.gz RQBZMFYULJAILO-DYTRJAOYSA-N 2 2 383.580 3.855 20 0 GHADLP Cc1cc2ncn(C[C@@H](O)C[NH2+][C@H](C)c3cccc(-n4cc[nH+]c4)c3)c2cc1C ZINC000189905326 882039414 /nfs/dbraw/zinc/03/94/14/882039414.db2.gz ILLJBTUSZOEFTP-NQIIRXRSSA-N 2 2 389.503 3.551 20 0 GHADLP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000523315352 867056189 /nfs/dbraw/zinc/05/61/89/867056189.db2.gz SMQZDNGWWSFVNN-WOJBJXKFSA-N 2 2 382.527 3.816 20 0 GHADLP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000523315352 867056201 /nfs/dbraw/zinc/05/62/01/867056201.db2.gz SMQZDNGWWSFVNN-WOJBJXKFSA-N 2 2 382.527 3.816 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+]C2CCN(CC(F)(F)F)CC2)CCOCC1)c1ccccc1 ZINC000153912739 867151151 /nfs/dbraw/zinc/15/11/51/867151151.db2.gz FCJNXCCLBAAKBQ-KRWDZBQOSA-N 2 2 399.501 3.503 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000154535641 867451785 /nfs/dbraw/zinc/45/17/85/867451785.db2.gz GOAGVCXRSJUXMJ-NVXWUHKLSA-N 2 2 392.594 3.501 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3nc(-c4ccccc4)c[nH]3)cc2)C[C@@H](C)O1 ZINC000194232818 882111669 /nfs/dbraw/zinc/11/16/69/882111669.db2.gz XDEKVMHZNGLHNT-RTBURBONSA-N 2 2 390.531 3.976 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(Cl)sc1Cl ZINC000155313994 867864665 /nfs/dbraw/zinc/86/46/65/867864665.db2.gz MPODBYQRZVZYSO-WCQYABFASA-N 2 2 378.369 3.648 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(Cl)sc1Cl ZINC000155313994 867864676 /nfs/dbraw/zinc/86/46/76/867864676.db2.gz MPODBYQRZVZYSO-WCQYABFASA-N 2 2 378.369 3.648 20 0 GHADLP Cc1cccc(Cl)c1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000133350759 882199654 /nfs/dbraw/zinc/19/96/54/882199654.db2.gz UPQBWIPTOCUBFV-UHFFFAOYSA-N 2 2 378.948 3.720 20 0 GHADLP CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000553974447 868547437 /nfs/dbraw/zinc/54/74/37/868547437.db2.gz XZOURLWBMVCILF-NRFANRHFSA-N 2 2 391.987 3.741 20 0 GHADLP CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000553974447 868547446 /nfs/dbraw/zinc/54/74/46/868547446.db2.gz XZOURLWBMVCILF-NRFANRHFSA-N 2 2 391.987 3.741 20 0 GHADLP C[C@@H](c1cc(Cl)ccc1Cl)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000157301471 868619063 /nfs/dbraw/zinc/61/90/63/868619063.db2.gz SJLWVVFREJIZBW-HNNXBMFYSA-N 2 2 398.378 3.931 20 0 GHADLP Cc1ccc(N2CC[C@@H]([N@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2=O)cc1 ZINC000744427145 868829913 /nfs/dbraw/zinc/82/99/13/868829913.db2.gz ZSUFDDAUQNIXEK-JTHBVZDNSA-N 2 2 377.532 3.554 20 0 GHADLP Cc1ccc(N2CC[C@@H]([N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2=O)cc1 ZINC000744427145 868829923 /nfs/dbraw/zinc/82/99/23/868829923.db2.gz ZSUFDDAUQNIXEK-JTHBVZDNSA-N 2 2 377.532 3.554 20 0 GHADLP Cc1ccc(N2CC[C@@H]([NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000744427145 868829937 /nfs/dbraw/zinc/82/99/37/868829937.db2.gz ZSUFDDAUQNIXEK-JTHBVZDNSA-N 2 2 377.532 3.554 20 0 GHADLP Cc1ccc(N2CC[C@@H]([NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000744427145 868829954 /nfs/dbraw/zinc/82/99/54/868829954.db2.gz ZSUFDDAUQNIXEK-JTHBVZDNSA-N 2 2 377.532 3.554 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(Br)o2)C[C@@H](C)O1 ZINC000190834180 882282798 /nfs/dbraw/zinc/28/27/98/882282798.db2.gz OJYMGBGOQYVVGZ-HUUCEWRRSA-N 2 2 393.325 3.941 20 0 GHADLP Cc1cn2cc(NC(=O)N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)ccc2[nH+]1 ZINC000525236595 870229374 /nfs/dbraw/zinc/22/93/74/870229374.db2.gz VLTUZMKWPLCHHI-GOSISDBHSA-N 2 2 377.492 3.771 20 0 GHADLP Cc1cn2cc(NC(=O)N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)ccc2[nH+]1 ZINC000525236595 870229384 /nfs/dbraw/zinc/22/93/84/870229384.db2.gz VLTUZMKWPLCHHI-GOSISDBHSA-N 2 2 377.492 3.771 20 0 GHADLP Clc1sc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1Br ZINC000191228735 882392393 /nfs/dbraw/zinc/39/23/93/882392393.db2.gz AVCCGDGEDFXTHS-UHFFFAOYSA-N 2 2 393.778 3.708 20 0 GHADLP CC[N@H+](CCCC(=O)Nc1cccc2[nH+]ccn21)[C@H](C)Cc1ccc(O)cc1 ZINC001183045573 912214863 /nfs/dbraw/zinc/21/48/63/912214863.db2.gz IOIJERHXPPTBDE-QGZVFWFLSA-N 2 2 380.492 3.712 20 0 GHADLP CC[N@@H+](CCCC(=O)Nc1cccc2[nH+]ccn21)[C@H](C)Cc1ccc(O)cc1 ZINC001183045573 912214879 /nfs/dbraw/zinc/21/48/79/912214879.db2.gz IOIJERHXPPTBDE-QGZVFWFLSA-N 2 2 380.492 3.712 20 0 GHADLP CSc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248386334 870353488 /nfs/dbraw/zinc/35/34/88/870353488.db2.gz MDOAQWDFZWPXPI-WOJBJXKFSA-N 2 2 389.609 3.818 20 0 GHADLP CSc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248386334 870353497 /nfs/dbraw/zinc/35/34/97/870353497.db2.gz MDOAQWDFZWPXPI-WOJBJXKFSA-N 2 2 389.609 3.818 20 0 GHADLP Cc1c(-c2cc(C[NH2+][C@H]3[C@H](C)C[N@@H+](Cc4ccccc4)C[C@@H]3C)on2)cnn1C ZINC000249385726 870818471 /nfs/dbraw/zinc/81/84/71/870818471.db2.gz RCARWWMUVHKGOJ-DTVZVWBHSA-N 2 2 393.535 3.630 20 0 GHADLP Cc1c(-c2cc(C[NH2+][C@H]3[C@H](C)C[N@H+](Cc4ccccc4)C[C@@H]3C)on2)cnn1C ZINC000249385726 870818476 /nfs/dbraw/zinc/81/84/76/870818476.db2.gz RCARWWMUVHKGOJ-DTVZVWBHSA-N 2 2 393.535 3.630 20 0 GHADLP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000463071656 870834653 /nfs/dbraw/zinc/83/46/53/870834653.db2.gz ADMZIPATLDIJBO-XWGVYQGASA-N 2 2 390.575 3.719 20 0 GHADLP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000463071656 870834663 /nfs/dbraw/zinc/83/46/63/870834663.db2.gz ADMZIPATLDIJBO-XWGVYQGASA-N 2 2 390.575 3.719 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000446975213 870835231 /nfs/dbraw/zinc/83/52/31/870835231.db2.gz PZXULLKYMLJLBZ-RDTXWAMCSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000446975213 870835243 /nfs/dbraw/zinc/83/52/43/870835243.db2.gz PZXULLKYMLJLBZ-RDTXWAMCSA-N 2 2 394.357 3.773 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000249470576 870841026 /nfs/dbraw/zinc/84/10/26/870841026.db2.gz UHTDVSGSWJCWKL-KNKQGSTJSA-N 2 2 397.563 3.893 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000249470576 870841039 /nfs/dbraw/zinc/84/10/39/870841039.db2.gz UHTDVSGSWJCWKL-KNKQGSTJSA-N 2 2 397.563 3.893 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2nc3ccc(Br)cc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000463112966 870913030 /nfs/dbraw/zinc/91/30/30/870913030.db2.gz ATYANPSNWHDOHZ-DOMZBBRYSA-N 2 2 375.270 3.870 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000463112966 870913035 /nfs/dbraw/zinc/91/30/35/870913035.db2.gz ATYANPSNWHDOHZ-DOMZBBRYSA-N 2 2 375.270 3.870 20 0 GHADLP COc1cc2c(cc1C[NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)O[C@@H](C)C2 ZINC000463141382 870993873 /nfs/dbraw/zinc/99/38/73/870993873.db2.gz JYBOEDIYIUHSNC-KRWDZBQOSA-N 2 2 398.522 3.954 20 0 GHADLP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)N(C)Cc1ccccc1 ZINC000463154830 871033866 /nfs/dbraw/zinc/03/38/66/871033866.db2.gz XPZDGDXEOXZZAI-FQEVSTJZSA-N 2 2 383.555 3.943 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)Cc3ccsc31)C2 ZINC001169094909 871167776 /nfs/dbraw/zinc/16/77/76/871167776.db2.gz NFIJYSMLDUDDNO-NXOAAHMSSA-N 2 2 377.554 3.755 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)Cc3ccsc31)C2 ZINC001169094909 871167882 /nfs/dbraw/zinc/16/78/82/871167882.db2.gz NFIJYSMLDUDDNO-NXOAAHMSSA-N 2 2 377.554 3.755 20 0 GHADLP COC(=O)[C@](C)([NH3+])Cc1cn(-c2cccc(C3=[NH+]CCC3)c2)c2ccccc12 ZINC001169113743 871243708 /nfs/dbraw/zinc/24/37/08/871243708.db2.gz USJILRZCCVWULA-HSZRJFAPSA-N 2 2 375.472 3.646 20 0 GHADLP C[C@H](C1CC1)[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1 ZINC000252009589 871247585 /nfs/dbraw/zinc/24/75/85/871247585.db2.gz RCOUOTBLFFEPET-LJQANCHMSA-N 2 2 397.588 3.693 20 0 GHADLP C[C@H](C1CC1)[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1 ZINC000252009589 871247601 /nfs/dbraw/zinc/24/76/01/871247601.db2.gz RCOUOTBLFFEPET-LJQANCHMSA-N 2 2 397.588 3.693 20 0 GHADLP C[C@@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)[N@H+](C)C1CC1 ZINC000191511033 882497989 /nfs/dbraw/zinc/49/79/89/882497989.db2.gz QUPMNRRANRPJBQ-LIRRHRJNSA-N 2 2 381.358 3.989 20 0 GHADLP C[C@@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)[N@@H+](C)C1CC1 ZINC000191511033 882497994 /nfs/dbraw/zinc/49/79/94/882497994.db2.gz QUPMNRRANRPJBQ-LIRRHRJNSA-N 2 2 381.358 3.989 20 0 GHADLP CC[NH+]1CCC([NH2+][C@H](C(=O)Nc2cc3ccccc3c(OC)c2)C(C)C)CC1 ZINC001169240563 871339376 /nfs/dbraw/zinc/33/93/76/871339376.db2.gz ACQVOJSTTMCJNR-QFIPXVFZSA-N 2 2 383.536 3.885 20 0 GHADLP Cc1cc(OC[C@@H](O)C[N@H+](C)CCCn2cc[nH+]c2)c(C(C)C)cc1Cl ZINC000539221322 871536412 /nfs/dbraw/zinc/53/64/12/871536412.db2.gz YKMZOPBNXDATIN-KRWDZBQOSA-N 2 2 379.932 3.730 20 0 GHADLP Cc1cc(OC[C@@H](O)C[N@@H+](C)CCCn2cc[nH+]c2)c(C(C)C)cc1Cl ZINC000539221322 871536417 /nfs/dbraw/zinc/53/64/17/871536417.db2.gz YKMZOPBNXDATIN-KRWDZBQOSA-N 2 2 379.932 3.730 20 0 GHADLP CN(C(=O)Nc1ccnc(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000181893399 871618308 /nfs/dbraw/zinc/61/83/08/871618308.db2.gz SYLAMOYQRNREAR-ROUUACIJSA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1ccnc(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000181893399 871618313 /nfs/dbraw/zinc/61/83/13/871618313.db2.gz SYLAMOYQRNREAR-ROUUACIJSA-N 2 2 393.963 3.536 20 0 GHADLP Cc1cc2[nH+]ccn2cc1N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169517592 871625233 /nfs/dbraw/zinc/62/52/33/871625233.db2.gz GXUSNYIRDRVHSJ-UYAOXDASSA-N 2 2 378.476 3.514 20 0 GHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)C[C@@H](C)O1 ZINC000525953878 871757593 /nfs/dbraw/zinc/75/75/93/871757593.db2.gz DBGRTMILFJYJMH-HZPDHXFCSA-N 2 2 384.923 3.569 20 0 GHADLP CC(C)[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000447530831 871763791 /nfs/dbraw/zinc/76/37/91/871763791.db2.gz PDDXQNSZFZBTHQ-VXKWHMMOSA-N 2 2 392.547 3.595 20 0 GHADLP Cc1ccccc1[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC001169831331 871899132 /nfs/dbraw/zinc/89/91/32/871899132.db2.gz QDVXLXKQIQAUAV-YADHBBJMSA-N 2 2 397.950 3.786 20 0 GHADLP Cc1ccccc1[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC001169831331 871899153 /nfs/dbraw/zinc/89/91/53/871899153.db2.gz QDVXLXKQIQAUAV-YADHBBJMSA-N 2 2 397.950 3.786 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@H](C)[N@H+](Cc3ccccc3)CC1)C2 ZINC000526020340 871960322 /nfs/dbraw/zinc/96/03/22/871960322.db2.gz VIXIAPIWNWNMNY-ICSRJNTNSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@H](C)[N@@H+](Cc3ccccc3)CC1)C2 ZINC000526020340 871960325 /nfs/dbraw/zinc/96/03/25/871960325.db2.gz VIXIAPIWNWNMNY-ICSRJNTNSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@H](C)[N@H+](Cc3ccccc3)CC1)CC2 ZINC000526020340 871960330 /nfs/dbraw/zinc/96/03/30/871960330.db2.gz VIXIAPIWNWNMNY-ICSRJNTNSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@H](C)[N@@H+](Cc3ccccc3)CC1)CC2 ZINC000526020340 871960334 /nfs/dbraw/zinc/96/03/34/871960334.db2.gz VIXIAPIWNWNMNY-ICSRJNTNSA-N 2 2 394.563 3.761 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000552102595 872062233 /nfs/dbraw/zinc/06/22/33/872062233.db2.gz ICKJYZUEARVCBN-JOCHJYFZSA-N 2 2 376.504 3.631 20 0 GHADLP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3)C2)[C@@H]2CCC[C@H]21 ZINC000552248336 872267188 /nfs/dbraw/zinc/26/71/88/872267188.db2.gz DBCZTOIWWDMORG-FUMNGEBKSA-N 2 2 381.486 3.742 20 0 GHADLP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3)C2)[C@@H]2CCC[C@H]21 ZINC000552248336 872267208 /nfs/dbraw/zinc/26/72/08/872267208.db2.gz DBCZTOIWWDMORG-FUMNGEBKSA-N 2 2 381.486 3.742 20 0 GHADLP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)[C@@H]2CCC[C@H]21 ZINC000552248336 872267217 /nfs/dbraw/zinc/26/72/17/872267217.db2.gz DBCZTOIWWDMORG-FUMNGEBKSA-N 2 2 381.486 3.742 20 0 GHADLP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)[C@@H]2CCC[C@H]21 ZINC000552248336 872267234 /nfs/dbraw/zinc/26/72/34/872267234.db2.gz DBCZTOIWWDMORG-FUMNGEBKSA-N 2 2 381.486 3.742 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000122440969 882602350 /nfs/dbraw/zinc/60/23/50/882602350.db2.gz FAQUWXKQRVOQGO-LJQANCHMSA-N 2 2 392.613 3.793 20 0 GHADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152734477 872816252 /nfs/dbraw/zinc/81/62/52/872816252.db2.gz FAWBENPYXQRYNQ-QGZVFWFLSA-N 2 2 383.540 3.986 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+]2CCCC2)cc1 ZINC000527241418 872859615 /nfs/dbraw/zinc/85/96/15/872859615.db2.gz LKWKJHCVLCYKLQ-DENIHFKCSA-N 2 2 394.563 3.900 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[NH+]2CCCC2)cc1 ZINC000527241418 872859634 /nfs/dbraw/zinc/85/96/34/872859634.db2.gz LKWKJHCVLCYKLQ-DENIHFKCSA-N 2 2 394.563 3.900 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC000527263052 872906606 /nfs/dbraw/zinc/90/66/06/872906606.db2.gz BYLIOZHVRDATLD-WOJBJXKFSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000527263052 872906615 /nfs/dbraw/zinc/90/66/15/872906615.db2.gz BYLIOZHVRDATLD-WOJBJXKFSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000527263052 872906623 /nfs/dbraw/zinc/90/66/23/872906623.db2.gz BYLIOZHVRDATLD-WOJBJXKFSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000527263052 872906629 /nfs/dbraw/zinc/90/66/29/872906629.db2.gz BYLIOZHVRDATLD-WOJBJXKFSA-N 2 2 394.563 3.761 20 0 GHADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000541183093 873102956 /nfs/dbraw/zinc/10/29/56/873102956.db2.gz NFDKCQAIJWFZIE-IBGZPJMESA-N 2 2 389.588 3.595 20 0 GHADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000541183093 873102962 /nfs/dbraw/zinc/10/29/62/873102962.db2.gz NFDKCQAIJWFZIE-IBGZPJMESA-N 2 2 389.588 3.595 20 0 GHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768221000 873173641 /nfs/dbraw/zinc/17/36/41/873173641.db2.gz RGZOQPWLVFZYNL-QGZVFWFLSA-N 2 2 376.545 3.899 20 0 GHADLP COc1ccc([C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C2CC2)cn1 ZINC000527843209 873666237 /nfs/dbraw/zinc/66/62/37/873666237.db2.gz SHKREGWCNWOLNM-QHCPKHFHSA-N 2 2 383.511 3.977 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(-c2ccccc2)n(C)n1 ZINC000527844353 873668000 /nfs/dbraw/zinc/66/80/00/873668000.db2.gz AWBLSNVDCNHIJN-LJQANCHMSA-N 2 2 390.531 3.770 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760159603 882751463 /nfs/dbraw/zinc/75/14/63/882751463.db2.gz MMEPZFBPNYWGSV-SUMWQHHRSA-N 2 2 394.346 3.645 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760159603 882751471 /nfs/dbraw/zinc/75/14/71/882751471.db2.gz MMEPZFBPNYWGSV-SUMWQHHRSA-N 2 2 394.346 3.645 20 0 GHADLP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000527947414 873792740 /nfs/dbraw/zinc/79/27/40/873792740.db2.gz IOSHWXQEQSOICW-TZIWHRDSSA-N 2 2 387.568 3.601 20 0 GHADLP CC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000527947414 873792745 /nfs/dbraw/zinc/79/27/45/873792745.db2.gz IOSHWXQEQSOICW-TZIWHRDSSA-N 2 2 387.568 3.601 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccccc2)cs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599231 873918723 /nfs/dbraw/zinc/91/87/23/873918723.db2.gz CIYREHDGKNLRTE-AEFFLSMTSA-N 2 2 398.576 3.991 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccccc2)cs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599231 873918731 /nfs/dbraw/zinc/91/87/31/873918731.db2.gz CIYREHDGKNLRTE-AEFFLSMTSA-N 2 2 398.576 3.991 20 0 GHADLP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)n1C1CCCCC1 ZINC000122925476 882798257 /nfs/dbraw/zinc/79/82/57/882798257.db2.gz MMLTZHZOYREXCU-UHFFFAOYSA-N 2 2 388.600 3.708 20 0 GHADLP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)n1C1CCCCC1 ZINC000122925476 882798267 /nfs/dbraw/zinc/79/82/67/882798267.db2.gz MMLTZHZOYREXCU-UHFFFAOYSA-N 2 2 388.600 3.708 20 0 GHADLP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000177337591 882820107 /nfs/dbraw/zinc/82/01/07/882820107.db2.gz GPANVPIJAURJBA-HNNXBMFYSA-N 2 2 383.989 3.572 20 0 GHADLP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4cc(F)c(F)c(F)c43)cc2)CC1 ZINC000449084436 874434809 /nfs/dbraw/zinc/43/48/09/874434809.db2.gz XWOOCBLOAQSRSD-LJQANCHMSA-N 2 2 389.465 3.628 20 0 GHADLP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4cc(F)c(F)c(F)c43)cc2)CC1 ZINC000449084436 874434812 /nfs/dbraw/zinc/43/48/12/874434812.db2.gz XWOOCBLOAQSRSD-LJQANCHMSA-N 2 2 389.465 3.628 20 0 GHADLP COc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc2ccccc21 ZINC000449086834 874442439 /nfs/dbraw/zinc/44/24/39/874442439.db2.gz CVZCGVKQPDRSJL-UHFFFAOYSA-N 2 2 376.500 3.970 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Br)c2F)[C@@H](C)C1 ZINC000449136393 874520552 /nfs/dbraw/zinc/52/05/52/874520552.db2.gz AZYXNJZFRGLCPQ-WMLDXEAASA-N 2 2 387.337 3.815 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Br)c2F)[C@@H](C)C1 ZINC000449136393 874520555 /nfs/dbraw/zinc/52/05/55/874520555.db2.gz AZYXNJZFRGLCPQ-WMLDXEAASA-N 2 2 387.337 3.815 20 0 GHADLP CC[N@H+](C[C@@H](O)COc1cc(C)ccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810466 874535525 /nfs/dbraw/zinc/53/55/25/874535525.db2.gz PLUURSLTNMKYCS-JOCHJYFZSA-N 2 2 397.563 3.677 20 0 GHADLP CC[N@@H+](C[C@@H](O)COc1cc(C)ccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810466 874535532 /nfs/dbraw/zinc/53/55/32/874535532.db2.gz PLUURSLTNMKYCS-JOCHJYFZSA-N 2 2 397.563 3.677 20 0 GHADLP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464832707 874565577 /nfs/dbraw/zinc/56/55/77/874565577.db2.gz CLUHOWLUUGCXNH-AZUAARDMSA-N 2 2 399.966 3.799 20 0 GHADLP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464832707 874565586 /nfs/dbraw/zinc/56/55/86/874565586.db2.gz CLUHOWLUUGCXNH-AZUAARDMSA-N 2 2 399.966 3.799 20 0 GHADLP C[C@@H](C(=O)NCc1ccccc1Cl)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464832707 874565598 /nfs/dbraw/zinc/56/55/98/874565598.db2.gz CLUHOWLUUGCXNH-AZUAARDMSA-N 2 2 399.966 3.799 20 0 GHADLP C[C@@H](C(=O)NCc1ccccc1Cl)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464832707 874565612 /nfs/dbraw/zinc/56/56/12/874565612.db2.gz CLUHOWLUUGCXNH-AZUAARDMSA-N 2 2 399.966 3.799 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000449197467 874595851 /nfs/dbraw/zinc/59/58/51/874595851.db2.gz ZEZXVUAPCYZJLI-UHFFFAOYSA-N 2 2 398.588 3.868 20 0 GHADLP COCCn1cc2c(n1)[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc3ccccc3)CC1)CCC2 ZINC000449243743 874650581 /nfs/dbraw/zinc/65/05/81/874650581.db2.gz MWEDNLDBXJWVRX-CVDCTZTESA-N 2 2 396.579 3.592 20 0 GHADLP C[C@@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449326089 874709298 /nfs/dbraw/zinc/70/92/98/874709298.db2.gz SEOABSOESWPDIA-SFHVURJKSA-N 2 2 389.565 3.583 20 0 GHADLP O=S(=O)(CCC[NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000550938571 882855320 /nfs/dbraw/zinc/85/53/20/882855320.db2.gz YFQKTAGLCPNMER-UHFFFAOYSA-N 2 2 384.973 3.500 20 0 GHADLP COc1cc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)cc2c1OCCO2 ZINC000449350705 874746980 /nfs/dbraw/zinc/74/69/80/874746980.db2.gz LUPQXSAVJBNOML-UHFFFAOYSA-N 2 2 385.851 3.595 20 0 GHADLP COc1cc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)c(-c2ccccc2)cc1OC ZINC000237461398 882872446 /nfs/dbraw/zinc/87/24/46/882872446.db2.gz GNDAZUDEKFSXMO-NRFANRHFSA-N 2 2 398.547 3.817 20 0 GHADLP COc1cc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)c(-c2ccccc2)cc1OC ZINC000237461398 882872462 /nfs/dbraw/zinc/87/24/62/882872462.db2.gz GNDAZUDEKFSXMO-NRFANRHFSA-N 2 2 398.547 3.817 20 0 GHADLP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000303023068 874841944 /nfs/dbraw/zinc/84/19/44/874841944.db2.gz NHCYFPXIWHCRQV-QHCPKHFHSA-N 2 2 385.596 3.868 20 0 GHADLP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000303023068 874841952 /nfs/dbraw/zinc/84/19/52/874841952.db2.gz NHCYFPXIWHCRQV-QHCPKHFHSA-N 2 2 385.596 3.868 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]CC3=Cc4ccccc4OC3)CC2)cc1 ZINC000449520866 874993644 /nfs/dbraw/zinc/99/36/44/874993644.db2.gz FNNNCJJODJWTLI-UHFFFAOYSA-N 2 2 391.515 3.675 20 0 GHADLP COc1ccccc1/C=C/C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449523132 874997625 /nfs/dbraw/zinc/99/76/25/874997625.db2.gz KXGFUBKJYWFPEL-FNORWQNLSA-N 2 2 393.531 3.921 20 0 GHADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542135745 875035037 /nfs/dbraw/zinc/03/50/37/875035037.db2.gz XKMUDDLDLOCTJH-QGZVFWFLSA-N 2 2 388.943 3.734 20 0 GHADLP COCO[C@@H](C)c1cc(F)c(C[NH2+]C[C@H](C)C[NH+](C)C)cc1Br ZINC000858166800 882904624 /nfs/dbraw/zinc/90/46/24/882904624.db2.gz ARGKRPFWEUXNEA-STQMWFEESA-N 2 2 391.325 3.557 20 0 GHADLP CN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475731250 882911263 /nfs/dbraw/zinc/91/12/63/882911263.db2.gz BLVHSCQZJJBADZ-RUZDIDTESA-N 2 2 391.559 3.633 20 0 GHADLP CN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475731250 882911268 /nfs/dbraw/zinc/91/12/68/882911268.db2.gz BLVHSCQZJJBADZ-RUZDIDTESA-N 2 2 391.559 3.633 20 0 GHADLP CN(Cc1ccccc1)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475731250 882911272 /nfs/dbraw/zinc/91/12/72/882911272.db2.gz BLVHSCQZJJBADZ-RUZDIDTESA-N 2 2 391.559 3.633 20 0 GHADLP CN(Cc1ccccc1)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475731250 882911276 /nfs/dbraw/zinc/91/12/76/882911276.db2.gz BLVHSCQZJJBADZ-RUZDIDTESA-N 2 2 391.559 3.633 20 0 GHADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000303560550 875807429 /nfs/dbraw/zinc/80/74/29/875807429.db2.gz NHLJZNXUQCXKET-UHFFFAOYSA-N 2 2 390.531 3.894 20 0 GHADLP C[NH+]1CCC(CNC(=O)Cc2ccc(Cl)c(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000172753405 875899884 /nfs/dbraw/zinc/89/98/84/875899884.db2.gz SQRUJCKSWRLFJB-UHFFFAOYSA-N 2 2 398.378 3.602 20 0 GHADLP COCC[C@H](C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)NC(=O)OC(C)(C)C ZINC001202151748 876049309 /nfs/dbraw/zinc/04/93/09/876049309.db2.gz XWPISRXHNOKFLW-LJQANCHMSA-N 2 2 397.604 3.552 20 0 GHADLP Cc1cc(NC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)c[nH+]1 ZINC001202246172 876089171 /nfs/dbraw/zinc/08/91/71/876089171.db2.gz UASZZTNCAPQNFU-IAGOWNOFSA-N 2 2 380.536 3.920 20 0 GHADLP COC(=O)C1CC[NH+](CCCNc2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000450256562 876152481 /nfs/dbraw/zinc/15/24/81/876152481.db2.gz HQWULKZKVFLEGH-UHFFFAOYSA-N 2 2 395.425 3.941 20 0 GHADLP FC1(F)CCCC[C@H]1C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000450323475 876284929 /nfs/dbraw/zinc/28/49/29/876284929.db2.gz IFPKWLZRTMJNDK-UXHICEINSA-N 2 2 392.538 3.741 20 0 GHADLP FC1(F)CCCC[C@H]1C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000450323475 876284943 /nfs/dbraw/zinc/28/49/43/876284943.db2.gz IFPKWLZRTMJNDK-UXHICEINSA-N 2 2 392.538 3.741 20 0 GHADLP c1cc2ccc(C[N@H+]3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)cc2[nH]1 ZINC000529526037 876288172 /nfs/dbraw/zinc/28/81/72/876288172.db2.gz PGUDBFGIDIIFME-OAQYLSRUSA-N 2 2 389.547 3.597 20 0 GHADLP c1cc2ccc(C[N@@H+]3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)cc2[nH]1 ZINC000529526037 876288183 /nfs/dbraw/zinc/28/81/83/876288183.db2.gz PGUDBFGIDIIFME-OAQYLSRUSA-N 2 2 389.547 3.597 20 0 GHADLP CC[N@H+](CCC(=O)Nc1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971482 876752830 /nfs/dbraw/zinc/75/28/30/876752830.db2.gz NUJQNEDSDZAPDY-UHFFFAOYSA-N 2 2 380.536 3.957 20 0 GHADLP CC[N@@H+](CCC(=O)Nc1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971482 876752835 /nfs/dbraw/zinc/75/28/35/876752835.db2.gz NUJQNEDSDZAPDY-UHFFFAOYSA-N 2 2 380.536 3.957 20 0 GHADLP CCOC(=O)NC1CCC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000850472260 876950674 /nfs/dbraw/zinc/95/06/74/876950674.db2.gz XAAWIJWLIRELAW-UHFFFAOYSA-N 2 2 376.888 3.673 20 0 GHADLP CC[N@H+](CCOc1ccccc1C(C)=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395673 877005330 /nfs/dbraw/zinc/00/53/30/877005330.db2.gz HWLDBNYRHYHNDH-UHFFFAOYSA-N 2 2 381.520 3.902 20 0 GHADLP CC[N@@H+](CCOc1ccccc1C(C)=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395673 877005348 /nfs/dbraw/zinc/00/53/48/877005348.db2.gz HWLDBNYRHYHNDH-UHFFFAOYSA-N 2 2 381.520 3.902 20 0 GHADLP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000174783943 877247602 /nfs/dbraw/zinc/24/76/02/877247602.db2.gz KTGWXPXIKOJRMW-IBGZPJMESA-N 2 2 395.950 3.680 20 0 GHADLP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000174783943 877247610 /nfs/dbraw/zinc/24/76/10/877247610.db2.gz KTGWXPXIKOJRMW-IBGZPJMESA-N 2 2 395.950 3.680 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000787311386 877336912 /nfs/dbraw/zinc/33/69/12/877336912.db2.gz WDNLROLVKKEYDW-YSGRDPCXSA-N 2 2 393.453 3.634 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000787311386 877336926 /nfs/dbraw/zinc/33/69/26/877336926.db2.gz WDNLROLVKKEYDW-YSGRDPCXSA-N 2 2 393.453 3.634 20 0 GHADLP CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000787676006 877521853 /nfs/dbraw/zinc/52/18/53/877521853.db2.gz MKHRFVRXAVFQPP-FQEVSTJZSA-N 2 2 389.540 3.720 20 0 GHADLP CC(C)(C)OC(=O)Nc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000787676006 877521860 /nfs/dbraw/zinc/52/18/60/877521860.db2.gz MKHRFVRXAVFQPP-FQEVSTJZSA-N 2 2 389.540 3.720 20 0 GHADLP Cc1c([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cnn1C(C)(C)C ZINC000530328784 877559166 /nfs/dbraw/zinc/55/91/66/877559166.db2.gz QNZHWBRNZMZVPM-AVRDEDQJSA-N 2 2 383.584 3.586 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000788638742 878230162 /nfs/dbraw/zinc/23/01/62/878230162.db2.gz JCYLPEBIUVJVEO-XLIONFOSSA-N 2 2 384.524 3.998 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)C1CC1 ZINC000788751816 878288613 /nfs/dbraw/zinc/28/86/13/878288613.db2.gz BGKFXLGBONRWPD-OAQYLSRUSA-N 2 2 399.579 3.886 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)C1CC1 ZINC000788751816 878288618 /nfs/dbraw/zinc/28/86/18/878288618.db2.gz BGKFXLGBONRWPD-OAQYLSRUSA-N 2 2 399.579 3.886 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)c(C)c1 ZINC000460704039 878411558 /nfs/dbraw/zinc/41/15/58/878411558.db2.gz GSJKMCJJLHFLSP-RTWAWAEBSA-N 2 2 382.552 3.868 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)c(C)c1 ZINC000460704038 878411727 /nfs/dbraw/zinc/41/17/27/878411727.db2.gz GSJKMCJJLHFLSP-NHCUHLMSSA-N 2 2 382.552 3.868 20 0 GHADLP CC[N@@H+](Cc1cc(OC)ccc1OCOC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564702 912344229 /nfs/dbraw/zinc/34/42/29/912344229.db2.gz ALVBYCKMFZNXKR-UHFFFAOYSA-N 2 2 399.535 3.811 20 0 GHADLP CC[N@H+](Cc1cc(OC)ccc1OCOC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564702 912344244 /nfs/dbraw/zinc/34/42/44/912344244.db2.gz ALVBYCKMFZNXKR-UHFFFAOYSA-N 2 2 399.535 3.811 20 0 GHADLP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000245702168 878426128 /nfs/dbraw/zinc/42/61/28/878426128.db2.gz RCSJYNBFSGBYIY-VQTJNVASSA-N 2 2 388.462 3.593 20 0 GHADLP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000245702168 878426143 /nfs/dbraw/zinc/42/61/43/878426143.db2.gz RCSJYNBFSGBYIY-VQTJNVASSA-N 2 2 388.462 3.593 20 0 GHADLP CN(C(=O)CCc1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245736405 878502614 /nfs/dbraw/zinc/50/26/14/878502614.db2.gz SZVSDTJAMXSZEW-FGZHOGPDSA-N 2 2 389.559 3.554 20 0 GHADLP CN(C(=O)CCc1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245736405 878502628 /nfs/dbraw/zinc/50/26/28/878502628.db2.gz SZVSDTJAMXSZEW-FGZHOGPDSA-N 2 2 389.559 3.554 20 0 GHADLP CN(C(=O)c1cc2ccccc2o1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245750425 878540109 /nfs/dbraw/zinc/54/01/09/878540109.db2.gz XJFGURUZLZLWHI-VQTJNVASSA-N 2 2 383.536 3.842 20 0 GHADLP CN(C(=O)c1cc2ccccc2o1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245750425 878540126 /nfs/dbraw/zinc/54/01/26/878540126.db2.gz XJFGURUZLZLWHI-VQTJNVASSA-N 2 2 383.536 3.842 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)c1 ZINC000537952057 878576974 /nfs/dbraw/zinc/57/69/74/878576974.db2.gz OJBJMCICLGYICQ-GCJKJVERSA-N 2 2 397.544 3.996 20 0 GHADLP CN(C(=O)CC[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000853109518 878817593 /nfs/dbraw/zinc/81/75/93/878817593.db2.gz FUIKQRXTFPHKGD-UHFFFAOYSA-N 2 2 380.536 3.682 20 0 GHADLP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1c(F)cccc1F ZINC000538130501 878911003 /nfs/dbraw/zinc/91/10/03/878911003.db2.gz ZVAGOLQFISAWEF-INIZCTEOSA-N 2 2 387.474 3.528 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000460987195 878935789 /nfs/dbraw/zinc/93/57/89/878935789.db2.gz KPAQQUOXEIASSH-RBUKOAKNSA-N 2 2 398.378 3.581 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000460987195 878935794 /nfs/dbraw/zinc/93/57/94/878935794.db2.gz KPAQQUOXEIASSH-RBUKOAKNSA-N 2 2 398.378 3.581 20 0 GHADLP C[C@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)C[NH+]1CCCC1 ZINC000111383422 879079476 /nfs/dbraw/zinc/07/94/76/879079476.db2.gz JNBDCXKARSUNEP-CQSZACIVSA-N 2 2 377.330 3.661 20 0 GHADLP C[C@@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)C[NH+]1CCCC1 ZINC000111383420 879080456 /nfs/dbraw/zinc/08/04/56/879080456.db2.gz JNBDCXKARSUNEP-AWEZNQCLSA-N 2 2 377.330 3.661 20 0 GHADLP CC(C)(C)[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(F)c1 ZINC000538233078 879089938 /nfs/dbraw/zinc/08/99/38/879089938.db2.gz IYCWGLRRNOHHPF-QFIPXVFZSA-N 2 2 398.526 3.636 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000531105506 879141681 /nfs/dbraw/zinc/14/16/81/879141681.db2.gz LYSDMMWFQPNSJX-YADHBBJMSA-N 2 2 385.596 3.786 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000531105506 879141688 /nfs/dbraw/zinc/14/16/88/879141688.db2.gz LYSDMMWFQPNSJX-YADHBBJMSA-N 2 2 385.596 3.786 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cnc(-c3cccs3)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000531199702 879313500 /nfs/dbraw/zinc/31/35/00/879313500.db2.gz KOEHIAKUHGQRDU-HXUWFJFHSA-N 2 2 385.558 3.598 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cnc(-c3cccs3)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000531199702 879313516 /nfs/dbraw/zinc/31/35/16/879313516.db2.gz KOEHIAKUHGQRDU-HXUWFJFHSA-N 2 2 385.558 3.598 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)ccn12 ZINC000520836052 879418512 /nfs/dbraw/zinc/41/85/12/879418512.db2.gz FMBIYQVNZWHVOA-UHFFFAOYSA-N 2 2 388.515 3.771 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)ccn12 ZINC000520836052 879418522 /nfs/dbraw/zinc/41/85/22/879418522.db2.gz FMBIYQVNZWHVOA-UHFFFAOYSA-N 2 2 388.515 3.771 20 0 GHADLP CC1(C)CC[C@@H]2C[C@@H]([NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)c3cccc1c32 ZINC000538458066 879530477 /nfs/dbraw/zinc/53/04/77/879530477.db2.gz VVYWHIVXMIMMAG-AUSIDOKSSA-N 2 2 397.607 3.673 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccccc1Br ZINC000246449381 879574007 /nfs/dbraw/zinc/57/40/07/879574007.db2.gz PCTHBZOGTGOCSD-ZOCIIQOWSA-N 2 2 381.358 3.868 20 0 GHADLP CCO[C@H](C)c1nc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000246471973 879593259 /nfs/dbraw/zinc/59/32/59/879593259.db2.gz WUVSKTMQMRSAAR-OKZBNKHCSA-N 2 2 395.613 3.952 20 0 GHADLP O=C1O[C@]2(CN1C[N@@H+]1CCCC[C@@H]1c1cc3ccccc3[nH]1)C[NH+]1CCC2CC1 ZINC000790362631 879631127 /nfs/dbraw/zinc/63/11/27/879631127.db2.gz MSLFMKAEPIGQCH-GGAORHGYSA-N 2 2 394.519 3.569 20 0 GHADLP O=C1O[C@]2(CN1C[N@H+]1CCCC[C@@H]1c1cc3ccccc3[nH]1)C[NH+]1CCC2CC1 ZINC000790362631 879631131 /nfs/dbraw/zinc/63/11/31/879631131.db2.gz MSLFMKAEPIGQCH-GGAORHGYSA-N 2 2 394.519 3.569 20 0 GHADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246519409 879647948 /nfs/dbraw/zinc/64/79/48/879647948.db2.gz IRJJSAJSKSESIC-UNMCSNQZSA-N 2 2 383.580 3.762 20 0 GHADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246519409 879647950 /nfs/dbraw/zinc/64/79/50/879647950.db2.gz IRJJSAJSKSESIC-UNMCSNQZSA-N 2 2 383.580 3.762 20 0 GHADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246519409 879647952 /nfs/dbraw/zinc/64/79/52/879647952.db2.gz IRJJSAJSKSESIC-UNMCSNQZSA-N 2 2 383.580 3.762 20 0 GHADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246519409 879647954 /nfs/dbraw/zinc/64/79/54/879647954.db2.gz IRJJSAJSKSESIC-UNMCSNQZSA-N 2 2 383.580 3.762 20 0 GHADLP C[C@@H](c1ccc(Cl)cc1)[N@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C1CC1 ZINC000790370078 879672418 /nfs/dbraw/zinc/67/24/18/879672418.db2.gz NXWJRUBGSLHPFW-YCRPNKLZSA-N 2 2 389.927 3.740 20 0 GHADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C1CC1 ZINC000790370078 879672425 /nfs/dbraw/zinc/67/24/25/879672425.db2.gz NXWJRUBGSLHPFW-YCRPNKLZSA-N 2 2 389.927 3.740 20 0 GHADLP O=C1O[C@@]2(CN1C[N@H+](Cc1ccc3ccccc3c1)C1CC1)C[NH+]1CCC2CC1 ZINC000790374460 879678335 /nfs/dbraw/zinc/67/83/35/879678335.db2.gz ZASXJZUAEKMRMT-XMMPIXPASA-N 2 2 391.515 3.678 20 0 GHADLP O=C1O[C@@]2(CN1C[N@@H+](Cc1ccc3ccccc3c1)C1CC1)C[NH+]1CCC2CC1 ZINC000790374460 879678342 /nfs/dbraw/zinc/67/83/42/879678342.db2.gz ZASXJZUAEKMRMT-XMMPIXPASA-N 2 2 391.515 3.678 20 0 GHADLP COc1cc(F)c([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1OC ZINC000538556481 879708305 /nfs/dbraw/zinc/70/83/05/879708305.db2.gz CMHKGSPJLONTEQ-ZBFHGGJFSA-N 2 2 388.487 3.551 20 0 GHADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Cl)cc1 ZINC000493917147 879716391 /nfs/dbraw/zinc/71/63/91/879716391.db2.gz PHRSVCLHZMLKSV-NNWRFLSQSA-N 2 2 388.939 3.500 20 0 GHADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Cl)cc1 ZINC000493917147 879716411 /nfs/dbraw/zinc/71/64/11/879716411.db2.gz PHRSVCLHZMLKSV-NNWRFLSQSA-N 2 2 388.939 3.500 20 0 GHADLP COc1ccc2c(c1)C(=O)N(C[NH+]1CCC(CC[N@@H+]3CCCC[C@@H]3C)CC1)C2 ZINC000790443225 879729732 /nfs/dbraw/zinc/72/97/32/879729732.db2.gz JMLSBCVLXUDIHU-SFHVURJKSA-N 2 2 385.552 3.585 20 0 GHADLP COc1ccc2c(c1)C(=O)N(C[NH+]1CCC(CC[N@H+]3CCCC[C@@H]3C)CC1)C2 ZINC000790443225 879729736 /nfs/dbraw/zinc/72/97/36/879729736.db2.gz JMLSBCVLXUDIHU-SFHVURJKSA-N 2 2 385.552 3.585 20 0 GHADLP CN(C(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246728457 879779728 /nfs/dbraw/zinc/77/97/28/879779728.db2.gz NVYHGUNXSCJHFN-WOJBJXKFSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246728457 879779741 /nfs/dbraw/zinc/77/97/41/879779741.db2.gz NVYHGUNXSCJHFN-WOJBJXKFSA-N 2 2 394.510 3.766 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2ccc(F)cc2)cc1 ZINC000494067093 879872204 /nfs/dbraw/zinc/87/22/04/879872204.db2.gz VAKCCZXHMWXMMT-KMDXXIMOSA-N 2 2 398.522 3.891 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000247178900 879937813 /nfs/dbraw/zinc/93/78/13/879937813.db2.gz ZBSSWZDGGZXQIE-GHTZIAJQSA-N 2 2 395.547 3.631 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000247178900 879937822 /nfs/dbraw/zinc/93/78/22/879937822.db2.gz ZBSSWZDGGZXQIE-GHTZIAJQSA-N 2 2 395.547 3.631 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2nc3cc(C)ccc3[nH]2)CC1 ZINC000531530637 880034308 /nfs/dbraw/zinc/03/43/08/880034308.db2.gz HRMWDMBHQILKDV-UHFFFAOYSA-N 2 2 377.536 3.693 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2nc3ccc(C)cc3[nH]2)CC1 ZINC000531530637 880034323 /nfs/dbraw/zinc/03/43/23/880034323.db2.gz HRMWDMBHQILKDV-UHFFFAOYSA-N 2 2 377.536 3.693 20 0 GHADLP FC(F)(F)c1ccn(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000183143973 880061074 /nfs/dbraw/zinc/06/10/74/880061074.db2.gz PCPZPGPRSHOQRV-UHFFFAOYSA-N 2 2 375.398 3.925 20 0 GHADLP Cc1cnc2c(N(CC[NH3+])c3cc4[nH+]c[nH]c4cc3F)nc3ccc(C)cc3n12 ZINC001170147793 880172885 /nfs/dbraw/zinc/17/28/85/880172885.db2.gz GPQJQCSJQKELKS-UHFFFAOYSA-N 2 2 389.438 3.612 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ncc(-c2ccccc2)n1C ZINC000453085637 880444913 /nfs/dbraw/zinc/44/49/13/880444913.db2.gz MJSBAGUKHVHTMC-IBGZPJMESA-N 2 2 390.531 3.770 20 0 GHADLP C[C@H]1CC[C@@H]([N@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C2CC[NH+](C)CC2)C1 ZINC001170160937 880786814 /nfs/dbraw/zinc/78/68/14/880786814.db2.gz KTIIPFACQJAFHK-FXAWDEMLSA-N 2 2 379.589 3.971 20 0 GHADLP C[C@H]1CC[C@@H]([N@@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C2CC[NH+](C)CC2)C1 ZINC001170160937 880786818 /nfs/dbraw/zinc/78/68/18/880786818.db2.gz KTIIPFACQJAFHK-FXAWDEMLSA-N 2 2 379.589 3.971 20 0 GHADLP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C12CCCC2 ZINC000453319009 880790420 /nfs/dbraw/zinc/79/04/20/880790420.db2.gz CIQPABUZICBSKS-PKTZIBPZSA-N 2 2 399.579 3.937 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1Cl ZINC000531976737 880856575 /nfs/dbraw/zinc/85/65/75/880856575.db2.gz CLQOBHGVEMCDGH-NBHGPNQESA-N 2 2 388.939 3.882 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1Cl ZINC000531976737 880856586 /nfs/dbraw/zinc/85/65/86/880856586.db2.gz CLQOBHGVEMCDGH-NBHGPNQESA-N 2 2 388.939 3.882 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)[C@@H](c3ccccc3)[NH+](C)C)cn2c1 ZINC000186495840 880901256 /nfs/dbraw/zinc/90/12/56/880901256.db2.gz OMRLXOJIRUACLM-VGSWGCGISA-N 2 2 396.560 3.684 20 0 GHADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000532016340 880931372 /nfs/dbraw/zinc/93/13/72/880931372.db2.gz VVONQTVUZVWDTL-VXKWHMMOSA-N 2 2 396.579 3.637 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2Br)CC[N@@H+]1C ZINC000186760570 880979029 /nfs/dbraw/zinc/97/90/29/880979029.db2.gz WNXNPOPNDZSDTM-GWCFXTLKSA-N 2 2 376.136 3.784 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2Br)CC[N@H+]1C ZINC000186760570 880979034 /nfs/dbraw/zinc/97/90/34/880979034.db2.gz WNXNPOPNDZSDTM-GWCFXTLKSA-N 2 2 376.136 3.784 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1C ZINC000114024486 881058062 /nfs/dbraw/zinc/05/80/62/881058062.db2.gz BDWMEFLJJDZPPD-HKUYNNGSSA-N 2 2 388.556 3.503 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1C ZINC000114024486 881058078 /nfs/dbraw/zinc/05/80/78/881058078.db2.gz BDWMEFLJJDZPPD-HKUYNNGSSA-N 2 2 388.556 3.503 20 0 GHADLP [NH3+]CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001170177681 881187824 /nfs/dbraw/zinc/18/78/24/881187824.db2.gz GFQJOFJDTQUNLB-UHFFFAOYSA-N 2 2 389.908 3.822 20 0 GHADLP CCC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000551386789 883779837 /nfs/dbraw/zinc/77/98/37/883779837.db2.gz DCSAIPQLADLBFG-WBADGQHESA-N 2 2 386.580 3.803 20 0 GHADLP CCC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000551386789 883779851 /nfs/dbraw/zinc/77/98/51/883779851.db2.gz DCSAIPQLADLBFG-WBADGQHESA-N 2 2 386.580 3.803 20 0 GHADLP CCC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000551386789 883779865 /nfs/dbraw/zinc/77/98/65/883779865.db2.gz DCSAIPQLADLBFG-WBADGQHESA-N 2 2 386.580 3.803 20 0 GHADLP CCC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000551386789 883779876 /nfs/dbraw/zinc/77/98/76/883779876.db2.gz DCSAIPQLADLBFG-WBADGQHESA-N 2 2 386.580 3.803 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)C1CCCCC1 ZINC000542530183 884310547 /nfs/dbraw/zinc/31/05/47/884310547.db2.gz CVSUGRJCHIWXMV-RTBURBONSA-N 2 2 387.568 3.652 20 0 GHADLP Clc1ccc2c(n1)CC[C@H]2[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000806132199 884351759 /nfs/dbraw/zinc/35/17/59/884351759.db2.gz UADUTAMPXLEUHO-OAQYLSRUSA-N 2 2 398.982 3.910 20 0 GHADLP CCSc1ccc([C@@H](C)NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000105246922 884682132 /nfs/dbraw/zinc/68/21/32/884682132.db2.gz TWTJSFGLULCFLM-QGZVFWFLSA-N 2 2 392.613 3.527 20 0 GHADLP CCSc1ccc([C@@H](C)NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000105246922 884682138 /nfs/dbraw/zinc/68/21/38/884682138.db2.gz TWTJSFGLULCFLM-QGZVFWFLSA-N 2 2 392.613 3.527 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130542825 884760668 /nfs/dbraw/zinc/76/06/68/884760668.db2.gz ISQDZIFCDHSAMY-JOCHJYFZSA-N 2 2 392.503 3.902 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130542825 884760675 /nfs/dbraw/zinc/76/06/75/884760675.db2.gz ISQDZIFCDHSAMY-JOCHJYFZSA-N 2 2 392.503 3.902 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1C ZINC000806641466 884890911 /nfs/dbraw/zinc/89/09/11/884890911.db2.gz NGOQSARDHKLFSW-YLJYHZDGSA-N 2 2 384.524 3.506 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1Cl ZINC000498602886 885006268 /nfs/dbraw/zinc/00/62/68/885006268.db2.gz SOXBXNLBJBDMJG-RTWAWAEBSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1Cl ZINC000498602886 885006288 /nfs/dbraw/zinc/00/62/88/885006288.db2.gz SOXBXNLBJBDMJG-RTWAWAEBSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1Cl ZINC000498602889 885006710 /nfs/dbraw/zinc/00/67/10/885006710.db2.gz SOXBXNLBJBDMJG-SFTDATJTSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1Cl ZINC000498602889 885006730 /nfs/dbraw/zinc/00/67/30/885006730.db2.gz SOXBXNLBJBDMJG-SFTDATJTSA-N 2 2 385.939 3.724 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000061024941 885047469 /nfs/dbraw/zinc/04/74/69/885047469.db2.gz GPFLZIRVVVLBKT-UHFFFAOYSA-N 2 2 399.583 3.670 20 0 GHADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)C[C@@H](C)O1 ZINC000643898370 912932080 /nfs/dbraw/zinc/93/20/80/912932080.db2.gz BUGUZRDBOQOYNH-RTBURBONSA-N 2 2 386.511 3.994 20 0 GHADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000498940846 886150018 /nfs/dbraw/zinc/15/00/18/886150018.db2.gz YFLNRDZFKBLRJU-MRXNPFEDSA-N 2 2 381.261 3.633 20 0 GHADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000498940846 886150027 /nfs/dbraw/zinc/15/00/27/886150027.db2.gz YFLNRDZFKBLRJU-MRXNPFEDSA-N 2 2 381.261 3.633 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000118782831 886265296 /nfs/dbraw/zinc/26/52/96/886265296.db2.gz SXPJAUABJWCTHX-HXUWFJFHSA-N 2 2 380.536 3.765 20 0 GHADLP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000119096702 886634883 /nfs/dbraw/zinc/63/48/83/886634883.db2.gz UETJZNQGDMLSQP-SJLPKXTDSA-N 2 2 386.927 3.706 20 0 GHADLP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000119096702 886634894 /nfs/dbraw/zinc/63/48/94/886634894.db2.gz UETJZNQGDMLSQP-SJLPKXTDSA-N 2 2 386.927 3.706 20 0 GHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000808679047 886680884 /nfs/dbraw/zinc/68/08/84/886680884.db2.gz BGOFEAYPOLTDPP-UYAOXDASSA-N 2 2 384.524 3.941 20 0 GHADLP Cc1cc(F)ccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000119579188 886766236 /nfs/dbraw/zinc/76/62/36/886766236.db2.gz VYCOAPIDBOKSGW-SFTDATJTSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cc(F)ccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000119579188 886766241 /nfs/dbraw/zinc/76/62/41/886766241.db2.gz VYCOAPIDBOKSGW-SFTDATJTSA-N 2 2 390.547 3.935 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(Br)ncc1F ZINC000762732963 886768624 /nfs/dbraw/zinc/76/86/24/886768624.db2.gz IFEHUZNRRCWZCH-GFCCVEGCSA-N 2 2 379.277 3.698 20 0 GHADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)CCSC1 ZINC000762751912 886795008 /nfs/dbraw/zinc/79/50/08/886795008.db2.gz BQZZARZNWCIXNB-IKVWTGGYSA-N 2 2 397.629 3.582 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000125336415 886856670 /nfs/dbraw/zinc/85/66/70/886856670.db2.gz MJSXGZRBLXGEFH-UHFFFAOYSA-N 2 2 398.378 3.601 20 0 GHADLP C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000915493047 887097274 /nfs/dbraw/zinc/09/72/74/887097274.db2.gz NFOBLRSLVAVUBU-WMZHIEFXSA-N 2 2 398.595 3.523 20 0 GHADLP C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000666678782 887292106 /nfs/dbraw/zinc/29/21/06/887292106.db2.gz XIAWKDSFUYNOKX-HUUCEWRRSA-N 2 2 387.553 3.716 20 0 GHADLP C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000666678782 887292117 /nfs/dbraw/zinc/29/21/17/887292117.db2.gz XIAWKDSFUYNOKX-HUUCEWRRSA-N 2 2 387.553 3.716 20 0 GHADLP COc1ccc2c(c1)[C@@H]([N@H+](CCc1c[nH+]cn1C)Cc1ccccc1)CCO2 ZINC000459335961 887459194 /nfs/dbraw/zinc/45/91/94/887459194.db2.gz HCXDVNZVYRSWPX-QFIPXVFZSA-N 2 2 377.488 3.997 20 0 GHADLP Cc1c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)sc2cccc(F)c12 ZINC000050800782 887709818 /nfs/dbraw/zinc/70/98/18/887709818.db2.gz NQXPCVVCZQXYLR-UHFFFAOYSA-N 2 2 389.540 3.637 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000809718674 887740133 /nfs/dbraw/zinc/74/01/33/887740133.db2.gz XEOFQKUABNVXLE-HLIPFELVSA-N 2 2 388.556 3.674 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccccc1 ZINC000062370797 887750230 /nfs/dbraw/zinc/75/02/30/887750230.db2.gz MMUWKDVLZNEEJN-SFTDATJTSA-N 2 2 385.939 3.896 20 0 GHADLP C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051777831 887782393 /nfs/dbraw/zinc/78/23/93/887782393.db2.gz MWYYOVAOFUHQJT-INIZCTEOSA-N 2 2 392.975 3.601 20 0 GHADLP CC(C)(C)[NH+]1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000133825848 887805275 /nfs/dbraw/zinc/80/52/75/887805275.db2.gz ZQWXNHGSYKQVPH-SFTDATJTSA-N 2 2 395.551 3.674 20 0 GHADLP CC(C)(C)OC(=O)NCc1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000865414054 888331217 /nfs/dbraw/zinc/33/12/17/888331217.db2.gz HYJCOBAERVDBCD-UHFFFAOYSA-N 2 2 396.535 3.865 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c(C)c1 ZINC000810698852 888808249 /nfs/dbraw/zinc/80/82/49/888808249.db2.gz XNEHIFPGSCFQSK-UGKGYDQZSA-N 2 2 386.515 3.570 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)c(C)c1 ZINC000810698852 888808263 /nfs/dbraw/zinc/80/82/63/888808263.db2.gz XNEHIFPGSCFQSK-UGKGYDQZSA-N 2 2 386.515 3.570 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)C1 ZINC000245657325 889177035 /nfs/dbraw/zinc/17/70/35/889177035.db2.gz DWKOSKTWIAFNMT-HFBCXCLPSA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)C1 ZINC000245657325 889177039 /nfs/dbraw/zinc/17/70/39/889177039.db2.gz DWKOSKTWIAFNMT-HFBCXCLPSA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000245657325 889177042 /nfs/dbraw/zinc/17/70/42/889177042.db2.gz DWKOSKTWIAFNMT-HFBCXCLPSA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000245657325 889177045 /nfs/dbraw/zinc/17/70/45/889177045.db2.gz DWKOSKTWIAFNMT-HFBCXCLPSA-N 3 2 399.623 3.909 20 0 GHADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21)c1ccccc1 ZINC000644546013 913357258 /nfs/dbraw/zinc/35/72/58/913357258.db2.gz KHZXPDVPJHRNRN-HKUYNNGSSA-N 2 2 381.520 3.627 20 0 GHADLP CCCc1ncc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124584228 889683881 /nfs/dbraw/zinc/68/38/81/889683881.db2.gz UEAOWZLMKPXYPW-ROUUACIJSA-N 2 2 392.613 3.505 20 0 GHADLP CCCc1ncc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124584228 889683883 /nfs/dbraw/zinc/68/38/83/889683883.db2.gz UEAOWZLMKPXYPW-ROUUACIJSA-N 2 2 392.613 3.505 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CCN(c4cccc[nH+]4)CC2)C3)cc1 ZINC000245784084 889718073 /nfs/dbraw/zinc/71/80/73/889718073.db2.gz ZHESERSFQFISCE-NUNAXRQHSA-N 3 2 376.548 3.836 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CCN(c4cccc[nH+]4)CC2)C3)cc1 ZINC000245784084 889718078 /nfs/dbraw/zinc/71/80/78/889718078.db2.gz ZHESERSFQFISCE-NUNAXRQHSA-N 3 2 376.548 3.836 20 0 GHADLP Cc1ccc(F)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124809886 889772015 /nfs/dbraw/zinc/77/20/15/889772015.db2.gz DRZYSDAVMUNNGE-NHCUHLMSSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1ccc(F)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124809886 889772027 /nfs/dbraw/zinc/77/20/27/889772027.db2.gz DRZYSDAVMUNNGE-NHCUHLMSSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1ccc(F)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124809685 889772344 /nfs/dbraw/zinc/77/23/44/889772344.db2.gz DRZYSDAVMUNNGE-SFTDATJTSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1ccc(F)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124809685 889772349 /nfs/dbraw/zinc/77/23/49/889772349.db2.gz DRZYSDAVMUNNGE-SFTDATJTSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@@H](O)Cn1c3ccccc3c3ccccc31)CCC2 ZINC000644606200 913396558 /nfs/dbraw/zinc/39/65/58/913396558.db2.gz UHGKQUOEERIRQL-RTBURBONSA-N 2 2 388.515 3.828 20 0 GHADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000420379345 890091839 /nfs/dbraw/zinc/09/18/39/890091839.db2.gz VIFRDTOOPJIMEP-PXNSSMCTSA-N 2 2 394.437 3.830 20 0 GHADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000420379345 890091855 /nfs/dbraw/zinc/09/18/55/890091855.db2.gz VIFRDTOOPJIMEP-PXNSSMCTSA-N 2 2 394.437 3.830 20 0 GHADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000533563151 890852298 /nfs/dbraw/zinc/85/22/98/890852298.db2.gz HSYJHTFVNRSLBM-FQEVSTJZSA-N 2 2 397.346 3.975 20 0 GHADLP CC(C)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000533646968 891038853 /nfs/dbraw/zinc/03/88/53/891038853.db2.gz HLSIAFGPGNPIRF-FCHUYYIVSA-N 2 2 386.584 3.614 20 0 GHADLP CC(C)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000533646968 891038861 /nfs/dbraw/zinc/03/88/61/891038861.db2.gz HLSIAFGPGNPIRF-FCHUYYIVSA-N 2 2 386.584 3.614 20 0 GHADLP CN(C(=O)NCCC1CCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533664112 891073410 /nfs/dbraw/zinc/07/34/10/891073410.db2.gz INKMLKQNGNGAHU-NHCUHLMSSA-N 2 2 378.605 3.545 20 0 GHADLP CN(C(=O)NCCC1CCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533664112 891073425 /nfs/dbraw/zinc/07/34/25/891073425.db2.gz INKMLKQNGNGAHU-NHCUHLMSSA-N 2 2 378.605 3.545 20 0 GHADLP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000533674404 891111082 /nfs/dbraw/zinc/11/10/82/891111082.db2.gz RMPPJCPMMBHKSD-OPNZPCBVSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000533674404 891111087 /nfs/dbraw/zinc/11/10/87/891111087.db2.gz RMPPJCPMMBHKSD-OPNZPCBVSA-N 2 2 392.632 3.790 20 0 GHADLP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc(F)ccc1F ZINC000162020019 891978364 /nfs/dbraw/zinc/97/83/64/891978364.db2.gz CBJYITMTTDYOEN-NRFANRHFSA-N 2 2 390.474 3.917 20 0 GHADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000162049950 892023414 /nfs/dbraw/zinc/02/34/14/892023414.db2.gz ZIPIBODDNBODTL-HXOBKFHXSA-N 2 2 384.495 3.560 20 0 GHADLP O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261858149 892144464 /nfs/dbraw/zinc/14/44/64/892144464.db2.gz ABGQYPHBFBFCEW-LMMKCTJWSA-N 2 2 396.560 3.561 20 0 GHADLP O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261858149 892144468 /nfs/dbraw/zinc/14/44/68/892144468.db2.gz ABGQYPHBFBFCEW-LMMKCTJWSA-N 2 2 396.560 3.561 20 0 GHADLP C[NH+](C)C1(C)CCC(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000876111011 892972129 /nfs/dbraw/zinc/97/21/29/892972129.db2.gz UUCCVLYVCQETKD-BLDKCIGBSA-N 2 2 395.551 3.674 20 0 GHADLP c1sc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)nc1-c1cc2ccccc2o1 ZINC000562959801 893219922 /nfs/dbraw/zinc/21/99/22/893219922.db2.gz ZQFWNYHULCUTML-GVDBMIGSSA-N 2 2 383.517 3.803 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cnn1-c1ccc(Cl)cc1Cl ZINC000562962669 893221683 /nfs/dbraw/zinc/22/16/83/893221683.db2.gz KKBKECYRILPNMA-DOMZBBRYSA-N 2 2 383.323 3.517 20 0 GHADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)cs2)c1OC ZINC000533866782 893273970 /nfs/dbraw/zinc/27/39/70/893273970.db2.gz MEWUNJFFFLKATA-CQSZACIVSA-N 2 2 384.505 3.550 20 0 GHADLP COc1cccc(-c2nc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)cs2)c1OC ZINC000533866782 893273975 /nfs/dbraw/zinc/27/39/75/893273975.db2.gz MEWUNJFFFLKATA-CQSZACIVSA-N 2 2 384.505 3.550 20 0 GHADLP O=c1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc(-c2ccccc2)[nH]1 ZINC000459437494 893497135 /nfs/dbraw/zinc/49/71/35/893497135.db2.gz RRLDECCRXXQACR-GOSISDBHSA-N 2 2 389.503 3.762 20 0 GHADLP O=c1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc(-c2ccccc2)[nH]1 ZINC000459437494 893497142 /nfs/dbraw/zinc/49/71/42/893497142.db2.gz RRLDECCRXXQACR-GOSISDBHSA-N 2 2 389.503 3.762 20 0 GHADLP Cc1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1C ZINC000563439154 893725875 /nfs/dbraw/zinc/72/58/75/893725875.db2.gz FTOPRXHEOGXKPF-VQIMIIECSA-N 2 2 380.458 3.920 20 0 GHADLP Cc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1C ZINC000563439154 893725884 /nfs/dbraw/zinc/72/58/84/893725884.db2.gz FTOPRXHEOGXKPF-VQIMIIECSA-N 2 2 380.458 3.920 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1OCC(F)F ZINC000536835880 893909172 /nfs/dbraw/zinc/90/91/72/893909172.db2.gz ZNPFHAHDBXHVAN-QFBILLFUSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1OCC(F)F ZINC000536835880 893909184 /nfs/dbraw/zinc/90/91/84/893909184.db2.gz ZNPFHAHDBXHVAN-QFBILLFUSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@H]1C[C@H]([NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000459681903 894059305 /nfs/dbraw/zinc/05/93/05/894059305.db2.gz DRVHKHUUTJKFBR-YYKUARIBSA-N 2 2 386.561 3.964 20 0 GHADLP C[C@H]1C[C@H]([NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000459681903 894059319 /nfs/dbraw/zinc/05/93/19/894059319.db2.gz DRVHKHUUTJKFBR-YYKUARIBSA-N 2 2 386.561 3.964 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3scnc3Cl)C2)ccn1 ZINC000879018707 894786756 /nfs/dbraw/zinc/78/67/56/894786756.db2.gz HVDWRECFSFJWQK-INIZCTEOSA-N 2 2 380.945 3.685 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3scnc3Cl)C2)ccn1 ZINC000879018707 894786768 /nfs/dbraw/zinc/78/67/68/894786768.db2.gz HVDWRECFSFJWQK-INIZCTEOSA-N 2 2 380.945 3.685 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3scnc3Cl)C2)ccn1 ZINC000879018707 894786785 /nfs/dbraw/zinc/78/67/85/894786785.db2.gz HVDWRECFSFJWQK-INIZCTEOSA-N 2 2 380.945 3.685 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3scnc3Cl)C2)ccn1 ZINC000879018707 894786793 /nfs/dbraw/zinc/78/67/93/894786793.db2.gz HVDWRECFSFJWQK-INIZCTEOSA-N 2 2 380.945 3.685 20 0 GHADLP COCC[NH+](CCOC)C1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000564316815 894856611 /nfs/dbraw/zinc/85/66/11/894856611.db2.gz XOUHWTFBYWBEIV-UHFFFAOYSA-N 2 2 388.577 3.974 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](C[C@H]3CCOC3)c3ccccc3)[nH+]c2)C1 ZINC000537458212 895060734 /nfs/dbraw/zinc/06/07/34/895060734.db2.gz XSKZRLKVGQTAFI-STZQEDGTSA-N 2 2 380.536 3.802 20 0 GHADLP Cc1nccnc1[C@@H](C)[NH2+]Cc1cccc(C[NH2+][C@@H](C)c2nccnc2C)c1 ZINC000880107324 895518785 /nfs/dbraw/zinc/51/87/85/895518785.db2.gz AMDZNOPIVFCROT-HDICACEKSA-N 2 2 376.508 3.585 20 0 GHADLP Cc1nccnc1[C@@H](C)[NH2+]Cc1cc(C[NH2+][C@@H](C)c2nccnc2C)ccc1F ZINC000880109354 895520399 /nfs/dbraw/zinc/52/03/99/895520399.db2.gz XGXZYRUCQAREAC-DLBZAZTESA-N 2 2 394.498 3.724 20 0 GHADLP CCCCn1nc(C)c(CN2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)c1Cl ZINC000817414393 895590722 /nfs/dbraw/zinc/59/07/22/895590722.db2.gz XZSJMLRERUEHBO-UHFFFAOYSA-N 2 2 396.023 3.637 20 0 GHADLP CCCCn1nc(C)c(CN2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)c1Cl ZINC000817414393 895590732 /nfs/dbraw/zinc/59/07/32/895590732.db2.gz XZSJMLRERUEHBO-UHFFFAOYSA-N 2 2 396.023 3.637 20 0 GHADLP O[C@H](C[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F)C[N@@H+]1CCc2ccccc2C1 ZINC000565535091 895706843 /nfs/dbraw/zinc/70/68/43/895706843.db2.gz FEPYMBLGIITTQD-RTWAWAEBSA-N 2 2 392.465 3.731 20 0 GHADLP O[C@H](C[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F)C[N@H+]1CCc2ccccc2C1 ZINC000565535091 895706855 /nfs/dbraw/zinc/70/68/55/895706855.db2.gz FEPYMBLGIITTQD-RTWAWAEBSA-N 2 2 392.465 3.731 20 0 GHADLP CC[C@@H](NC(=S)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1cccs1 ZINC000817567941 895738437 /nfs/dbraw/zinc/73/84/37/895738437.db2.gz WZKZPKXCQFHPEK-GOSISDBHSA-N 2 2 394.654 3.566 20 0 GHADLP CC[C@@H](NC(=S)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1cccs1 ZINC000817567941 895738451 /nfs/dbraw/zinc/73/84/51/895738451.db2.gz WZKZPKXCQFHPEK-GOSISDBHSA-N 2 2 394.654 3.566 20 0 GHADLP COc1ccc([C@@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817922768 895962208 /nfs/dbraw/zinc/96/22/08/895962208.db2.gz LQPPFFDEDIDFOL-ITLZVLABSA-N 2 2 380.532 3.908 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817922767 895962736 /nfs/dbraw/zinc/96/27/36/895962736.db2.gz LQPPFFDEDIDFOL-CNHJLYCKSA-N 2 2 380.532 3.908 20 0 GHADLP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000817955034 895976724 /nfs/dbraw/zinc/97/67/24/895976724.db2.gz PBFKCISYPHOIDR-UWJYYQICSA-N 2 2 379.504 3.521 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1ccc(Cl)nc1)C2 ZINC001137165575 896314337 /nfs/dbraw/zinc/31/43/37/896314337.db2.gz PIQNJVZKHVVTQS-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1ccc(Cl)nc1)C2 ZINC001137165575 896314354 /nfs/dbraw/zinc/31/43/54/896314354.db2.gz PIQNJVZKHVVTQS-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1ccc(Cl)nc1)C2 ZINC001137165575 896314369 /nfs/dbraw/zinc/31/43/69/896314369.db2.gz PIQNJVZKHVVTQS-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1ccc(Cl)nc1)C2 ZINC001137165575 896314378 /nfs/dbraw/zinc/31/43/78/896314378.db2.gz PIQNJVZKHVVTQS-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000566791432 896575013 /nfs/dbraw/zinc/57/50/13/896575013.db2.gz BVLIDYNOZPQXRL-QGZVFWFLSA-N 2 2 384.499 3.673 20 0 GHADLP CC[NH+](CC)CCCNC(=O)c1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1Cl ZINC000566864598 896645458 /nfs/dbraw/zinc/64/54/58/896645458.db2.gz KHAAVWVYGMGRRV-UHFFFAOYSA-N 2 2 391.947 3.754 20 0 GHADLP CSC1(C[NH2+][C@@H](c2nccn2C)c2ccccc2Cl)CC[NH+](C)CC1 ZINC000567004948 896786923 /nfs/dbraw/zinc/78/69/23/896786923.db2.gz YOEANVYPWQJZHE-QGZVFWFLSA-N 2 2 378.973 3.580 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129643583 896799367 /nfs/dbraw/zinc/79/93/67/896799367.db2.gz JGGRDVWWUIIRHE-DXIQSLLYSA-N 2 2 395.551 3.784 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129643583 896799377 /nfs/dbraw/zinc/79/93/77/896799377.db2.gz JGGRDVWWUIIRHE-DXIQSLLYSA-N 2 2 395.551 3.784 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000568682320 898032611 /nfs/dbraw/zinc/03/26/11/898032611.db2.gz UECDPYHBYGCIKJ-UHFFFAOYSA-N 2 2 381.423 3.688 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000568682320 898032618 /nfs/dbraw/zinc/03/26/18/898032618.db2.gz UECDPYHBYGCIKJ-UHFFFAOYSA-N 2 2 381.423 3.688 20 0 GHADLP CN(C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)C(c1ccccc1)c1ccccc1 ZINC000109794969 898595239 /nfs/dbraw/zinc/59/52/39/898595239.db2.gz UKKXKZXTSJKLSP-UHFFFAOYSA-N 2 2 388.515 3.768 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c2cccs2)cc1 ZINC000109795482 898595465 /nfs/dbraw/zinc/59/54/65/898595465.db2.gz CQZUQMVFULVBRB-QFIPXVFZSA-N 2 2 394.544 3.796 20 0 GHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000109793348 898595638 /nfs/dbraw/zinc/59/56/38/898595638.db2.gz MTQZRLACKDLNJF-NRFANRHFSA-N 2 2 398.507 3.626 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc(OC)c1OC ZINC000282883857 898631111 /nfs/dbraw/zinc/63/11/11/898631111.db2.gz YTKSPSAVGWBQOT-QGZVFWFLSA-N 2 2 385.508 3.625 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc(OC)c1OC ZINC000282883857 898631113 /nfs/dbraw/zinc/63/11/13/898631113.db2.gz YTKSPSAVGWBQOT-QGZVFWFLSA-N 2 2 385.508 3.625 20 0 GHADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc2ccccc2c1 ZINC000111244678 898794019 /nfs/dbraw/zinc/79/40/19/898794019.db2.gz VAYYSXXDIWHRCK-MSOLQXFVSA-N 2 2 376.504 3.939 20 0 GHADLP Cn1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(-c2cc(F)ccc2F)n1 ZINC001202665076 898973226 /nfs/dbraw/zinc/97/32/26/898973226.db2.gz GDRZRXZLDNGAJZ-UHFFFAOYSA-N 2 2 393.441 3.900 20 0 GHADLP CC1CC[NH+]([C@H](CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)c2cccs2)CC1 ZINC000570326757 899264708 /nfs/dbraw/zinc/26/47/08/899264708.db2.gz FVJXXZSDLZHXTL-APWZRJJASA-N 2 2 393.503 3.616 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC(Cc4cccnc4)CC3)C2)cc1 ZINC000570430049 899315188 /nfs/dbraw/zinc/31/51/88/899315188.db2.gz ONLBWFQAKMMUSC-DEOSSOPVSA-N 2 2 379.548 3.627 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC(Cc4cccnc4)CC3)C2)cc1 ZINC000570430049 899315201 /nfs/dbraw/zinc/31/52/01/899315201.db2.gz ONLBWFQAKMMUSC-DEOSSOPVSA-N 2 2 379.548 3.627 20 0 GHADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000332148702 899437176 /nfs/dbraw/zinc/43/71/76/899437176.db2.gz IAYXGNXSBSZSGD-ZIAGYGMSSA-N 2 2 391.313 3.687 20 0 GHADLP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000332148702 899437180 /nfs/dbraw/zinc/43/71/80/899437180.db2.gz IAYXGNXSBSZSGD-ZIAGYGMSSA-N 2 2 391.313 3.687 20 0 GHADLP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000134061619 899500777 /nfs/dbraw/zinc/50/07/77/899500777.db2.gz DUPNNMLHEHSNSK-QFBILLFUSA-N 2 2 386.927 3.879 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000570700189 899517248 /nfs/dbraw/zinc/51/72/48/899517248.db2.gz IFKISAXPJUFCBB-HXOBKFHXSA-N 2 2 379.504 3.723 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000570700189 899517257 /nfs/dbraw/zinc/51/72/57/899517257.db2.gz IFKISAXPJUFCBB-HXOBKFHXSA-N 2 2 379.504 3.723 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccccc1 ZINC000570842802 899632624 /nfs/dbraw/zinc/63/26/24/899632624.db2.gz SMOXJCBZSLWRCU-IFMALSPDSA-N 2 2 375.516 3.579 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccccc1 ZINC000570842802 899632627 /nfs/dbraw/zinc/63/26/27/899632627.db2.gz SMOXJCBZSLWRCU-IFMALSPDSA-N 2 2 375.516 3.579 20 0 GHADLP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(Br)c1 ZINC000570858663 899645792 /nfs/dbraw/zinc/64/57/92/899645792.db2.gz GASJTHDGHMMAGB-CABCVRRESA-N 2 2 385.346 3.609 20 0 GHADLP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(Br)c1 ZINC000570858663 899645799 /nfs/dbraw/zinc/64/57/99/899645799.db2.gz GASJTHDGHMMAGB-CABCVRRESA-N 2 2 385.346 3.609 20 0 GHADLP Cc1cccn2c(C[NH+]3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)cnc12 ZINC001136963160 899876832 /nfs/dbraw/zinc/87/68/32/899876832.db2.gz MJEBYTHAPOGQNA-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2c(C[NH+]3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)cnc12 ZINC001136963160 899876840 /nfs/dbraw/zinc/87/68/40/899876840.db2.gz MJEBYTHAPOGQNA-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2c(C[N@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@H]4C3)cnc12 ZINC001136963160 899876847 /nfs/dbraw/zinc/87/68/47/899876847.db2.gz MJEBYTHAPOGQNA-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2c(C[N@@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@H]4C3)cnc12 ZINC001136963160 899876852 /nfs/dbraw/zinc/87/68/52/899876852.db2.gz MJEBYTHAPOGQNA-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)NC1(c2ccccc2)CCC1 ZINC000333031268 899905119 /nfs/dbraw/zinc/90/51/19/899905119.db2.gz MGOWAQFWWITHLF-UHFFFAOYSA-N 2 2 392.547 3.594 20 0 GHADLP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000333069226 899936207 /nfs/dbraw/zinc/93/62/07/899936207.db2.gz UQGGIUWUHGLGPU-KRWDZBQOSA-N 2 2 380.536 3.988 20 0 GHADLP CCC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825255860 900053964 /nfs/dbraw/zinc/05/39/64/900053964.db2.gz YXTAIJOXGJLWOI-WIYYLYMNSA-N 2 2 382.556 3.780 20 0 GHADLP CCCN(C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@H]1CC[N@H+](C)C1 ZINC000646386121 914475844 /nfs/dbraw/zinc/47/58/44/914475844.db2.gz AAOUNWRAFWALEN-FQEVSTJZSA-N 2 2 381.524 3.834 20 0 GHADLP CCCN(C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@H]1CC[N@@H+](C)C1 ZINC000646386121 914475854 /nfs/dbraw/zinc/47/58/54/914475854.db2.gz AAOUNWRAFWALEN-FQEVSTJZSA-N 2 2 381.524 3.834 20 0 GHADLP CCCN(C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@@H]1CC[N@H+](C)C1 ZINC000646386122 914475941 /nfs/dbraw/zinc/47/59/41/914475941.db2.gz AAOUNWRAFWALEN-HXUWFJFHSA-N 2 2 381.524 3.834 20 0 GHADLP CCCN(C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000646386122 914475949 /nfs/dbraw/zinc/47/59/49/914475949.db2.gz AAOUNWRAFWALEN-HXUWFJFHSA-N 2 2 381.524 3.834 20 0 GHADLP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)Nc3ccc(-c4c[nH]cn4)cc3)CC2)[nH+]c1C ZINC000886662858 901214376 /nfs/dbraw/zinc/21/43/76/901214376.db2.gz NQQPKZNSSIUEBH-MRXNPFEDSA-N 2 2 392.507 3.623 20 0 GHADLP CC[N@H+](CN1C(=O)CC12CCCC2)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000844701212 901214743 /nfs/dbraw/zinc/21/47/43/901214743.db2.gz WUXKTZIDRMMPAH-UHFFFAOYSA-N 2 2 399.583 3.702 20 0 GHADLP CC[N@@H+](CN1C(=O)CC12CCCC2)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000844701212 901214759 /nfs/dbraw/zinc/21/47/59/901214759.db2.gz WUXKTZIDRMMPAH-UHFFFAOYSA-N 2 2 399.583 3.702 20 0 GHADLP c1csc([C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C2CC2)c1 ZINC000826526145 901388286 /nfs/dbraw/zinc/38/82/86/901388286.db2.gz MUQPYJGHQALOGP-FQEVSTJZSA-N 2 2 394.548 3.634 20 0 GHADLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3nccn3C(C)C)CC2)c1C ZINC000091708394 901454744 /nfs/dbraw/zinc/45/47/44/901454744.db2.gz AIYSQHHBHWOTMY-UHFFFAOYSA-N 2 2 385.556 3.581 20 0 GHADLP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3nccn3C(C)C)CC2)c1C ZINC000091708394 901454753 /nfs/dbraw/zinc/45/47/53/901454753.db2.gz AIYSQHHBHWOTMY-UHFFFAOYSA-N 2 2 385.556 3.581 20 0 GHADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1cc(OC)c(OC)c(OC)c1 ZINC000846142948 902746902 /nfs/dbraw/zinc/74/69/02/902746902.db2.gz GSOIWLQTCJQNBC-GOSISDBHSA-N 2 2 396.491 3.842 20 0 GHADLP Cc1ccc(C)c(Nc2cc[nH+]c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)[nH+]1 ZINC001212834871 903415807 /nfs/dbraw/zinc/41/58/07/903415807.db2.gz CMJQZTVFTLWDFE-UHFFFAOYSA-N 2 2 383.496 3.894 20 0 GHADLP Cc1ccc(C)c([C@@H]2CCCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000134732506 903562868 /nfs/dbraw/zinc/56/28/68/903562868.db2.gz WNWNLVHECPXYMO-QHCPKHFHSA-N 2 2 398.595 3.709 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Br)nc1 ZINC000290601081 914751832 /nfs/dbraw/zinc/75/18/32/914751832.db2.gz HFKCMFKYCXZCDO-XJKSGUPXSA-N 2 2 390.329 3.553 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc(OC)c1OCC(F)F ZINC000578470140 903874585 /nfs/dbraw/zinc/87/45/85/903874585.db2.gz QEXHYWAAGZYNBQ-KRWDZBQOSA-N 2 2 398.494 3.798 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc(OC)c1OCC(F)F ZINC000578470140 903874593 /nfs/dbraw/zinc/87/45/93/903874593.db2.gz QEXHYWAAGZYNBQ-KRWDZBQOSA-N 2 2 398.494 3.798 20 0 GHADLP CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000290774568 914815786 /nfs/dbraw/zinc/81/57/86/914815786.db2.gz BKNYWYFOPWMVCG-YADHBBJMSA-N 2 2 386.584 3.614 20 0 GHADLP CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000290774568 914815806 /nfs/dbraw/zinc/81/58/06/914815806.db2.gz BKNYWYFOPWMVCG-YADHBBJMSA-N 2 2 386.584 3.614 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4c(F)cccc4C3)CC2)cc1 ZINC001171411748 904542315 /nfs/dbraw/zinc/54/23/15/904542315.db2.gz NJLUKUYITMVZOT-NRFANRHFSA-N 2 2 396.506 3.724 20 0 GHADLP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC1 ZINC000889562645 904647217 /nfs/dbraw/zinc/64/72/17/904647217.db2.gz GXHWNVHVSSWINP-MXVIHJGJSA-N 2 2 387.572 3.567 20 0 GHADLP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC1 ZINC000889562645 904647222 /nfs/dbraw/zinc/64/72/22/904647222.db2.gz GXHWNVHVSSWINP-MXVIHJGJSA-N 2 2 387.572 3.567 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cn2c3cc(F)ccc3oc2=O)CC1)CC1CC1 ZINC000773323639 904713935 /nfs/dbraw/zinc/71/39/35/904713935.db2.gz XYCXWBLCZORWKZ-UHFFFAOYSA-N 2 2 375.488 3.525 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cn2c3cc(F)ccc3oc2=O)CC1)CC1CC1 ZINC000773323639 904713942 /nfs/dbraw/zinc/71/39/42/904713942.db2.gz XYCXWBLCZORWKZ-UHFFFAOYSA-N 2 2 375.488 3.525 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171469935 904745309 /nfs/dbraw/zinc/74/53/09/904745309.db2.gz ABPDOBHFUOMBAL-WWPVKYPJSA-N 2 2 386.486 3.701 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171469935 904745318 /nfs/dbraw/zinc/74/53/18/904745318.db2.gz ABPDOBHFUOMBAL-WWPVKYPJSA-N 2 2 386.486 3.701 20 0 GHADLP C[NH+]1C(C)(C)CC([N@@H+]2CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171640333 904930458 /nfs/dbraw/zinc/93/04/58/904930458.db2.gz CZBYQYWULWCTBM-HNNXBMFYSA-N 2 2 389.531 3.872 20 0 GHADLP C[NH+]1C(C)(C)CC([N@H+]2CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171640333 904930464 /nfs/dbraw/zinc/93/04/64/904930464.db2.gz CZBYQYWULWCTBM-HNNXBMFYSA-N 2 2 389.531 3.872 20 0 GHADLP CC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171825025 905040290 /nfs/dbraw/zinc/04/02/90/905040290.db2.gz LCHCAVMDUFBETH-OUUBHVDSSA-N 2 2 379.589 3.969 20 0 GHADLP CC[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171825025 905040307 /nfs/dbraw/zinc/04/03/07/905040307.db2.gz LCHCAVMDUFBETH-OUUBHVDSSA-N 2 2 379.589 3.969 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171825025 905040325 /nfs/dbraw/zinc/04/03/25/905040325.db2.gz LCHCAVMDUFBETH-OUUBHVDSSA-N 2 2 379.589 3.969 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171825025 905040346 /nfs/dbraw/zinc/04/03/46/905040346.db2.gz LCHCAVMDUFBETH-OUUBHVDSSA-N 2 2 379.589 3.969 20 0 GHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001171965015 905172891 /nfs/dbraw/zinc/17/28/91/905172891.db2.gz IPRQQEXQWDKJCP-CQSZACIVSA-N 2 2 390.409 3.928 20 0 GHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001171965015 905172898 /nfs/dbraw/zinc/17/28/98/905172898.db2.gz IPRQQEXQWDKJCP-CQSZACIVSA-N 2 2 390.409 3.928 20 0 GHADLP CC[N@H+](C1CCN(c2ccc(Br)cc2)CC1)C1CC[NH+](C)CC1 ZINC001171994715 905206409 /nfs/dbraw/zinc/20/64/09/905206409.db2.gz HLYIZNCRJYQLEJ-UHFFFAOYSA-N 2 2 380.374 3.834 20 0 GHADLP CC[N@@H+](C1CCN(c2ccc(Br)cc2)CC1)C1CC[NH+](C)CC1 ZINC001171994715 905206424 /nfs/dbraw/zinc/20/64/24/905206424.db2.gz HLYIZNCRJYQLEJ-UHFFFAOYSA-N 2 2 380.374 3.834 20 0 GHADLP Cc1cc(C)nc(N2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)n1 ZINC001171984014 905241698 /nfs/dbraw/zinc/24/16/98/905241698.db2.gz HUKXWLSDMINBNH-JOCHJYFZSA-N 2 2 393.579 3.659 20 0 GHADLP Cc1cc(C)nc(N2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)n1 ZINC001171984014 905241713 /nfs/dbraw/zinc/24/17/13/905241713.db2.gz HUKXWLSDMINBNH-JOCHJYFZSA-N 2 2 393.579 3.659 20 0 GHADLP CC(C)Oc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)ncn1 ZINC001172071218 905273885 /nfs/dbraw/zinc/27/38/85/905273885.db2.gz WANIMOIFKNPHIT-QQFNCUIESA-N 2 2 380.536 3.939 20 0 GHADLP CC(C)Oc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)ncn1 ZINC001172071218 905273904 /nfs/dbraw/zinc/27/39/04/905273904.db2.gz WANIMOIFKNPHIT-QQFNCUIESA-N 2 2 380.536 3.939 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCN(c4cc[nH+]cc4)CC2)C3)cc1 ZINC001172079059 905290399 /nfs/dbraw/zinc/29/03/99/905290399.db2.gz KYVIWANBOJENHX-UBRQYEGLSA-N 3 2 376.548 3.789 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCN(c4cc[nH+]cc4)CC2)C3)cc1 ZINC001172079059 905290416 /nfs/dbraw/zinc/29/04/16/905290416.db2.gz KYVIWANBOJENHX-UBRQYEGLSA-N 3 2 376.548 3.789 20 0 GHADLP CC1([NH+]2CCOCC2)CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172083337 905296190 /nfs/dbraw/zinc/29/61/90/905296190.db2.gz PHPUDUOAVCXVMU-BKFWDETESA-N 2 2 397.607 3.759 20 0 GHADLP CC1([NH+]2CCOCC2)CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172083337 905296211 /nfs/dbraw/zinc/29/62/11/905296211.db2.gz PHPUDUOAVCXVMU-BKFWDETESA-N 2 2 397.607 3.759 20 0 GHADLP CC(C)C[C@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCN1C(=O)OC(C)(C)C ZINC001172125891 905340263 /nfs/dbraw/zinc/34/02/63/905340263.db2.gz RIDUNYYEIUXMBH-YRPNKDGESA-N 2 2 379.589 3.969 20 0 GHADLP CC(C)C[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCN1C(=O)OC(C)(C)C ZINC001172125891 905340278 /nfs/dbraw/zinc/34/02/78/905340278.db2.gz RIDUNYYEIUXMBH-YRPNKDGESA-N 2 2 379.589 3.969 20 0 GHADLP CC(C)C[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN1C(=O)OC(C)(C)C ZINC001172125891 905340296 /nfs/dbraw/zinc/34/02/96/905340296.db2.gz RIDUNYYEIUXMBH-YRPNKDGESA-N 2 2 379.589 3.969 20 0 GHADLP CC(C)C[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN1C(=O)OC(C)(C)C ZINC001172125891 905340311 /nfs/dbraw/zinc/34/03/11/905340311.db2.gz RIDUNYYEIUXMBH-YRPNKDGESA-N 2 2 379.589 3.969 20 0 GHADLP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001172362187 905530761 /nfs/dbraw/zinc/53/07/61/905530761.db2.gz QTJVGOLECVOWAC-QYZOEREBSA-N 2 2 397.604 3.644 20 0 GHADLP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001172362187 905530775 /nfs/dbraw/zinc/53/07/75/905530775.db2.gz QTJVGOLECVOWAC-QYZOEREBSA-N 2 2 397.604 3.644 20 0 GHADLP CC(C)COCC[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001172467572 905579107 /nfs/dbraw/zinc/57/91/07/905579107.db2.gz LUJWGPAOENHYMQ-UYAOXDASSA-N 2 2 397.604 3.501 20 0 GHADLP CC1CC[NH+](CC[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001172512442 905605723 /nfs/dbraw/zinc/60/57/23/905605723.db2.gz QNZAMXLRFMJWPE-RJGXRXQPSA-N 2 2 383.580 3.639 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCC[C@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172581991 905683053 /nfs/dbraw/zinc/68/30/53/905683053.db2.gz XDNCKFSQICBBFO-NSHGMRRFSA-N 2 2 391.531 3.998 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCC[C@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172581991 905683060 /nfs/dbraw/zinc/68/30/60/905683060.db2.gz XDNCKFSQICBBFO-NSHGMRRFSA-N 2 2 391.531 3.998 20 0 GHADLP C[C@H]1CC[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CN1C(=O)OC(C)(C)C ZINC001173068764 906160069 /nfs/dbraw/zinc/16/00/69/906160069.db2.gz PKAPEZCLGKTDHK-PKOBYXMFSA-N 2 2 388.556 3.676 20 0 GHADLP C[NH+]1CCN(c2cccc(Nc3cc[nH+]c(NC(=O)OC(C)(C)C)c3)c2)CC1 ZINC001212709189 906241315 /nfs/dbraw/zinc/24/13/15/906241315.db2.gz HADBVFGPUCKKJV-UHFFFAOYSA-N 2 2 383.496 3.924 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCC(Oc5ccccc5)CC4)C[C@H]3C2)cn1 ZINC001173200539 906285879 /nfs/dbraw/zinc/28/58/79/906285879.db2.gz NERUGHFCXHUKLA-NJRHGXBZSA-N 2 2 394.563 3.564 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C4CCC(Oc5ccccc5)CC4)C[C@H]3C2)cn1 ZINC001173200539 906285890 /nfs/dbraw/zinc/28/58/90/906285890.db2.gz NERUGHFCXHUKLA-NJRHGXBZSA-N 2 2 394.563 3.564 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCC(Oc5ccccc5)CC4)C[C@H]3C2)cn1 ZINC001173200539 906285898 /nfs/dbraw/zinc/28/58/98/906285898.db2.gz NERUGHFCXHUKLA-NJRHGXBZSA-N 2 2 394.563 3.564 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C4CCC(Oc5ccccc5)CC4)C[C@H]3C2)cn1 ZINC001173200539 906285911 /nfs/dbraw/zinc/28/59/11/906285911.db2.gz NERUGHFCXHUKLA-NJRHGXBZSA-N 2 2 394.563 3.564 20 0 GHADLP COc1ccc(-c2nc(C[N@H+](C)CCCn3cc[nH+]c3C)cs2)cc1OC ZINC000179498156 906512392 /nfs/dbraw/zinc/51/23/92/906512392.db2.gz USSOGJITVPTFFT-UHFFFAOYSA-N 2 2 386.521 3.854 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+](C)CCCn3cc[nH+]c3C)cs2)cc1OC ZINC000179498156 906512403 /nfs/dbraw/zinc/51/24/03/906512403.db2.gz USSOGJITVPTFFT-UHFFFAOYSA-N 2 2 386.521 3.854 20 0 GHADLP CCc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000179963927 906645548 /nfs/dbraw/zinc/64/55/48/906645548.db2.gz FYTFXSVNZBXHRA-JOCHJYFZSA-N 2 2 397.544 3.618 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)cc1 ZINC001173720669 906670653 /nfs/dbraw/zinc/67/06/53/906670653.db2.gz HCOYWOFNAIZLSI-QZTJIDSGSA-N 2 2 398.551 3.518 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)cc1 ZINC001173720669 906670657 /nfs/dbraw/zinc/67/06/57/906670657.db2.gz HCOYWOFNAIZLSI-QZTJIDSGSA-N 2 2 398.551 3.518 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)cc1 ZINC001173720669 906670659 /nfs/dbraw/zinc/67/06/59/906670659.db2.gz HCOYWOFNAIZLSI-QZTJIDSGSA-N 2 2 398.551 3.518 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)cc1 ZINC001173720669 906670661 /nfs/dbraw/zinc/67/06/61/906670661.db2.gz HCOYWOFNAIZLSI-QZTJIDSGSA-N 2 2 398.551 3.518 20 0 GHADLP Cc1cc2ncc([C@@H](C)[NH2+]C3CC[NH+](CCc4ccccc4)CC3)c(C)n2n1 ZINC000181199857 906941563 /nfs/dbraw/zinc/94/15/63/906941563.db2.gz GWGFNZSLZYVCQA-GOSISDBHSA-N 2 2 377.536 3.704 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000366007973 921282500 /nfs/dbraw/zinc/28/25/00/921282500.db2.gz WVAKAYLKIUCXOJ-DXIQSLLYSA-N 2 2 382.527 3.547 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000366007973 921282505 /nfs/dbraw/zinc/28/25/05/921282505.db2.gz WVAKAYLKIUCXOJ-DXIQSLLYSA-N 2 2 382.527 3.547 20 0 GHADLP C[NH+]1CCC(Nc2ccccc2NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000630898840 907508727 /nfs/dbraw/zinc/50/87/27/907508727.db2.gz PLVBSLNAKXSPHB-UHFFFAOYSA-N 2 2 389.503 3.560 20 0 GHADLP Cc1nc(NC2=CC[N@H+](Cc3ccccc3)CC2)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001175505082 907591558 /nfs/dbraw/zinc/59/15/58/907591558.db2.gz NQNDEYVDMJBDJO-ROUUACIJSA-N 2 2 393.535 3.600 20 0 GHADLP Cc1nc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001175505082 907591573 /nfs/dbraw/zinc/59/15/73/907591573.db2.gz NQNDEYVDMJBDJO-ROUUACIJSA-N 2 2 393.535 3.600 20 0 GHADLP c1ccc(C[N@H+]2CC=C(Nc3ccc(OCC[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001175505495 907593425 /nfs/dbraw/zinc/59/34/25/907593425.db2.gz FJGKJNXZSJAPOO-UHFFFAOYSA-N 2 2 393.531 3.599 20 0 GHADLP c1ccc(C[N@@H+]2CC=C(Nc3ccc(OCC[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001175505495 907593438 /nfs/dbraw/zinc/59/34/38/907593438.db2.gz FJGKJNXZSJAPOO-UHFFFAOYSA-N 2 2 393.531 3.599 20 0 GHADLP COc1cc[nH+]cc1Nc1ccc(CN2CC[NH+](C)CC2)c(C(F)(F)F)c1 ZINC001176125218 907950769 /nfs/dbraw/zinc/95/07/69/907950769.db2.gz WNNOQQQTDLZGQG-UHFFFAOYSA-N 2 2 380.414 3.600 20 0 GHADLP C[NH+](C)C1CCC2(CC1)CCN(C(=O)Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000633256908 908256889 /nfs/dbraw/zinc/25/68/89/908256889.db2.gz JTWFMBGITNBYTH-UHFFFAOYSA-N 2 2 380.536 3.528 20 0 GHADLP Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cc12 ZINC001177225459 908472221 /nfs/dbraw/zinc/47/22/21/908472221.db2.gz BBQFZEICVQKYGV-CQSZACIVSA-N 2 2 375.948 3.722 20 0 GHADLP Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cc12 ZINC001177225459 908472226 /nfs/dbraw/zinc/47/22/26/908472226.db2.gz BBQFZEICVQKYGV-CQSZACIVSA-N 2 2 375.948 3.722 20 0 GHADLP Cc1nn(-c2ccccc2F)cc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC001177245586 908483361 /nfs/dbraw/zinc/48/33/61/908483361.db2.gz YIWAKFBNSTZFKE-UHFFFAOYSA-N 2 2 378.495 3.858 20 0 GHADLP Cc1nn(-c2ccccc2F)cc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC001177245586 908483367 /nfs/dbraw/zinc/48/33/67/908483367.db2.gz YIWAKFBNSTZFKE-UHFFFAOYSA-N 2 2 378.495 3.858 20 0 GHADLP CC1CC[NH+]([C@@H](CNCc2ccnn2-c2cc[nH+]cc2)c2ccccc2)CC1 ZINC001177442525 908592299 /nfs/dbraw/zinc/59/22/99/908592299.db2.gz UPBKXYGKKIKXEH-QHCPKHFHSA-N 2 2 375.520 3.830 20 0 GHADLP OCc1csc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC001177687484 908710314 /nfs/dbraw/zinc/71/03/14/908710314.db2.gz ALPPWVMFQIHGHV-UHFFFAOYSA-N 2 2 390.512 3.837 20 0 GHADLP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001178095187 908901251 /nfs/dbraw/zinc/90/12/51/908901251.db2.gz UVMKZBWZRMKEKA-NRFANRHFSA-N 2 2 378.520 3.539 20 0 GHADLP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001178095187 908901260 /nfs/dbraw/zinc/90/12/60/908901260.db2.gz UVMKZBWZRMKEKA-NRFANRHFSA-N 2 2 378.520 3.539 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635338207 909215746 /nfs/dbraw/zinc/21/57/46/909215746.db2.gz QCPASXUSNBQEIN-KRWDZBQOSA-N 2 2 382.430 3.533 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635338207 909215758 /nfs/dbraw/zinc/21/57/58/909215758.db2.gz QCPASXUSNBQEIN-KRWDZBQOSA-N 2 2 382.430 3.533 20 0 GHADLP C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000266749063 909286553 /nfs/dbraw/zinc/28/65/53/909286553.db2.gz DIXKTMJJVOYFMT-SFHVURJKSA-N 2 2 381.524 3.593 20 0 GHADLP C[NH+](C)CCn1ccc2ccc(NC(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)cc21 ZINC000635590616 909298399 /nfs/dbraw/zinc/29/83/99/909298399.db2.gz OLJSXVXFJIODBL-QGZVFWFLSA-N 2 2 393.413 3.532 20 0 GHADLP CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000266827419 909314045 /nfs/dbraw/zinc/31/40/45/909314045.db2.gz YGMWIIHVDMCWHF-HSZRJFAPSA-N 2 2 388.515 3.668 20 0 GHADLP CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000266827419 909314061 /nfs/dbraw/zinc/31/40/61/909314061.db2.gz YGMWIIHVDMCWHF-HSZRJFAPSA-N 2 2 388.515 3.668 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266900458 909333258 /nfs/dbraw/zinc/33/32/58/909333258.db2.gz UAMKTXVJUBUWIE-DLBZAZTESA-N 2 2 398.532 3.534 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000267508782 909536053 /nfs/dbraw/zinc/53/60/53/909536053.db2.gz LFZNKABAUWKTGB-XXBNENTESA-N 2 2 388.515 3.714 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000267508782 909536060 /nfs/dbraw/zinc/53/60/60/909536060.db2.gz LFZNKABAUWKTGB-XXBNENTESA-N 2 2 388.515 3.714 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cccc2c1OCCO2 ZINC001179497462 909569653 /nfs/dbraw/zinc/56/96/53/909569653.db2.gz HQYQQPMQZDZQMH-UHFFFAOYSA-N 2 2 380.492 3.761 20 0 GHADLP Cc1cc(C[NH3+])oc1C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000638066266 910043641 /nfs/dbraw/zinc/04/36/41/910043641.db2.gz GDSCKTYRQQRGOU-IBGZPJMESA-N 2 2 395.528 3.638 20 0 GHADLP Cc1cc(C[NH3+])oc1C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000638066266 910043652 /nfs/dbraw/zinc/04/36/52/910043652.db2.gz GDSCKTYRQQRGOU-IBGZPJMESA-N 2 2 395.528 3.638 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@@]12CC[C@@]([NH2+]C)(C1)CCC2)c1ccccc1Cl ZINC001274450694 910064097 /nfs/dbraw/zinc/06/40/97/910064097.db2.gz FNZFOBXTRIFOPW-TYPHKJRUSA-N 2 2 377.960 3.904 20 0 GHADLP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CC[N@H+](C4CC4)[C@H](c4ccccc4)C3)CC2)CC1 ZINC000638460569 910157652 /nfs/dbraw/zinc/15/76/52/910157652.db2.gz ZBLWWMZUIVMHCW-RDGATRHJSA-N 3 2 396.623 3.503 20 0 GHADLP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CC[N@@H+](C4CC4)[C@H](c4ccccc4)C3)CC2)CC1 ZINC000638460569 910157665 /nfs/dbraw/zinc/15/76/65/910157665.db2.gz ZBLWWMZUIVMHCW-RDGATRHJSA-N 3 2 396.623 3.503 20 0 GHADLP C[NH+](C)Cc1cc(C[NH2+]Cc2nnn(-c3ccccc3)c2C2CC2)ccc1F ZINC000638633670 910204741 /nfs/dbraw/zinc/20/47/41/910204741.db2.gz CHFZBBPIPAICID-UHFFFAOYSA-N 2 2 379.483 3.635 20 0 GHADLP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CC[C@H](C[NH+](C)Cc3cccnc3)C1)CC2 ZINC000639081391 910309806 /nfs/dbraw/zinc/30/98/06/910309806.db2.gz QNWNIUCMKLMGJF-NQIIRXRSSA-N 2 2 381.520 3.540 20 0 GHADLP COc1cc2c(cc1OC)[C@@H]([N@H+]1CC[C@H](C[NH+](C)Cc3cccnc3)C1)CC2 ZINC000639081391 910309824 /nfs/dbraw/zinc/30/98/24/910309824.db2.gz QNWNIUCMKLMGJF-NQIIRXRSSA-N 2 2 381.520 3.540 20 0 GHADLP COc1cc2c(cc1OC)[C@@H]([NH+]1CC[C@H](C[N@H+](C)Cc3cccnc3)C1)CC2 ZINC000639081391 910309841 /nfs/dbraw/zinc/30/98/41/910309841.db2.gz QNWNIUCMKLMGJF-NQIIRXRSSA-N 2 2 381.520 3.540 20 0 GHADLP COc1cc2c(cc1OC)[C@@H]([NH+]1CC[C@H](C[N@@H+](C)Cc3cccnc3)C1)CC2 ZINC000639081391 910309858 /nfs/dbraw/zinc/30/98/58/910309858.db2.gz QNWNIUCMKLMGJF-NQIIRXRSSA-N 2 2 381.520 3.540 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001180788672 910341289 /nfs/dbraw/zinc/34/12/89/910341289.db2.gz YIAOYUYHFGVYRA-AWEZNQCLSA-N 2 2 379.961 3.585 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001180788672 910341295 /nfs/dbraw/zinc/34/12/95/910341295.db2.gz YIAOYUYHFGVYRA-AWEZNQCLSA-N 2 2 379.961 3.585 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)CC[N@@H+]1Cc1ccccc1 ZINC000246734869 910561978 /nfs/dbraw/zinc/56/19/78/910561978.db2.gz MIIRBXWCQGIREC-OIBXWCBGSA-N 2 2 393.531 3.997 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)CC[N@H+]1Cc1ccccc1 ZINC000246734869 910561990 /nfs/dbraw/zinc/56/19/90/910561990.db2.gz MIIRBXWCQGIREC-OIBXWCBGSA-N 2 2 393.531 3.997 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000246734869 910562000 /nfs/dbraw/zinc/56/20/00/910562000.db2.gz MIIRBXWCQGIREC-OIBXWCBGSA-N 2 2 393.531 3.997 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000246734869 910562010 /nfs/dbraw/zinc/56/20/10/910562010.db2.gz MIIRBXWCQGIREC-OIBXWCBGSA-N 2 2 393.531 3.997 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1nc2ccccc2n1C ZINC000091348498 910992469 /nfs/dbraw/zinc/99/24/69/910992469.db2.gz MWXHRMNGTCSEJM-QGZVFWFLSA-N 2 2 377.536 3.959 20 0 GHADLP CCn1nc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c2ccccc21 ZINC000274430679 911334746 /nfs/dbraw/zinc/33/47/46/911334746.db2.gz MGJIFDVSSNWHMK-SFHVURJKSA-N 2 2 378.520 3.567 20 0 GHADLP CCn1nc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c2ccccc21 ZINC000274430679 911334762 /nfs/dbraw/zinc/33/47/62/911334762.db2.gz MGJIFDVSSNWHMK-SFHVURJKSA-N 2 2 378.520 3.567 20 0 GHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC001182872918 912094788 /nfs/dbraw/zinc/09/47/88/912094788.db2.gz HVMUCBSLENGTED-JKSUJKDBSA-N 2 2 396.373 3.876 20 0 GHADLP COc1ccc2cc([C@@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)ccc2c1 ZINC000285071158 912150516 /nfs/dbraw/zinc/15/05/16/912150516.db2.gz KDAHAZXMZRWKRC-OOGWUDDOSA-N 2 2 395.547 3.583 20 0 GHADLP COc1ccc2cc([C@@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)ccc2c1 ZINC000285071158 912150528 /nfs/dbraw/zinc/15/05/28/912150528.db2.gz KDAHAZXMZRWKRC-OOGWUDDOSA-N 2 2 395.547 3.583 20 0 GHADLP C[C@H](NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1=CC[N@H+](C)CC1 ZINC000291261907 915067184 /nfs/dbraw/zinc/06/71/84/915067184.db2.gz GNDPOSZLYYAOFK-INIZCTEOSA-N 2 2 379.508 3.658 20 0 GHADLP C[C@H](NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1=CC[N@@H+](C)CC1 ZINC000291261907 915067203 /nfs/dbraw/zinc/06/72/03/915067203.db2.gz GNDPOSZLYYAOFK-INIZCTEOSA-N 2 2 379.508 3.658 20 0 GHADLP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)Cc1ccccc1Cl ZINC000649104707 916025048 /nfs/dbraw/zinc/02/50/48/916025048.db2.gz MYLWQHQCHMIRNL-RTWAWAEBSA-N 2 2 399.966 3.624 20 0 GHADLP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)Cc1ccccc1Cl ZINC000649104707 916025064 /nfs/dbraw/zinc/02/50/64/916025064.db2.gz MYLWQHQCHMIRNL-RTWAWAEBSA-N 2 2 399.966 3.624 20 0 GHADLP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)Cc1ccccc1Cl ZINC000649104707 916025077 /nfs/dbraw/zinc/02/50/77/916025077.db2.gz MYLWQHQCHMIRNL-RTWAWAEBSA-N 2 2 399.966 3.624 20 0 GHADLP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)Cc1ccccc1Cl ZINC000649104707 916025098 /nfs/dbraw/zinc/02/50/98/916025098.db2.gz MYLWQHQCHMIRNL-RTWAWAEBSA-N 2 2 399.966 3.624 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]([NH3+])c3cccc(Cl)c3)n2)C1 ZINC000649278595 916092035 /nfs/dbraw/zinc/09/20/35/916092035.db2.gz OYHXHTWNZHGXOZ-LRDDRELGSA-N 2 2 378.929 3.667 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]([NH3+])c3cccc(Cl)c3)n2)C1 ZINC000649278595 916092056 /nfs/dbraw/zinc/09/20/56/916092056.db2.gz OYHXHTWNZHGXOZ-LRDDRELGSA-N 2 2 378.929 3.667 20 0 GHADLP Fc1ccc([C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c2nnc[nH]2)cc1 ZINC000293934627 916478678 /nfs/dbraw/zinc/47/86/78/916478678.db2.gz YFLNJRBPFMANFP-OAQYLSRUSA-N 2 2 379.483 3.535 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190113097 917135104 /nfs/dbraw/zinc/13/51/04/917135104.db2.gz IJEOEPUSDRPLDC-JOCHJYFZSA-N 2 2 388.515 3.903 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190113097 917135116 /nfs/dbraw/zinc/13/51/16/917135116.db2.gz IJEOEPUSDRPLDC-JOCHJYFZSA-N 2 2 388.515 3.903 20 0 GHADLP O=C(c1ccoc1)N1CCC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000296057681 917802518 /nfs/dbraw/zinc/80/25/18/917802518.db2.gz PDQBSUFMXCGJHG-UHFFFAOYSA-N 2 2 384.867 3.513 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)CCc2nc3ccccc3c(=O)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000363239671 917961301 /nfs/dbraw/zinc/96/13/01/917961301.db2.gz ZHJIYNJRJSOBOX-AZUAARDMSA-N 2 2 390.531 3.863 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)CCc2nc3ccccc3c(=O)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000363239671 917961317 /nfs/dbraw/zinc/96/13/17/917961317.db2.gz ZHJIYNJRJSOBOX-AZUAARDMSA-N 2 2 390.531 3.863 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)CCc2nc3ccccc3c(=O)[nH]2)CC[NH+]1Cc1ccccc1 ZINC000363239671 917961331 /nfs/dbraw/zinc/96/13/31/917961331.db2.gz ZHJIYNJRJSOBOX-AZUAARDMSA-N 2 2 390.531 3.863 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)CCc2nc3ccccc3c(=O)[nH]2)CC[NH+]1Cc1ccccc1 ZINC000363239671 917961341 /nfs/dbraw/zinc/96/13/41/917961341.db2.gz ZHJIYNJRJSOBOX-AZUAARDMSA-N 2 2 390.531 3.863 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000653036410 918096310 /nfs/dbraw/zinc/09/63/10/918096310.db2.gz ADHRFULADJNUJL-NRFANRHFSA-N 2 2 390.531 3.959 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000653036410 918096325 /nfs/dbraw/zinc/09/63/25/918096325.db2.gz ADHRFULADJNUJL-NRFANRHFSA-N 2 2 390.531 3.959 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)ccn12 ZINC000654406316 919116927 /nfs/dbraw/zinc/11/69/27/919116927.db2.gz SIUYQYCZIMBKNJ-UHFFFAOYSA-N 2 2 382.895 3.691 20 0 GHADLP CN(CCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(=O)OC(C)(C)C ZINC000800403989 920035147 /nfs/dbraw/zinc/03/51/47/920035147.db2.gz DYDMEGDLFRLEHT-QGZVFWFLSA-N 2 2 376.545 3.656 20 0 GHADLP CN(CCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(=O)OC(C)(C)C ZINC000800403989 920035164 /nfs/dbraw/zinc/03/51/64/920035164.db2.gz DYDMEGDLFRLEHT-QGZVFWFLSA-N 2 2 376.545 3.656 20 0 GHADLP COc1cc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc(OC)c1OCC(F)F ZINC000367964663 922394952 /nfs/dbraw/zinc/39/49/52/922394952.db2.gz WPCFBZDSPCRPAN-HNNXBMFYSA-N 2 2 395.450 3.520 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(-n2cc[nH+]c2)c1 ZINC000902948102 922630467 /nfs/dbraw/zinc/63/04/67/922630467.db2.gz PLLUZGWENZYNIC-DVECYGJZSA-N 3 2 390.531 3.680 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(-n2cc[nH+]c2)c1 ZINC000902948102 922630471 /nfs/dbraw/zinc/63/04/71/922630471.db2.gz PLLUZGWENZYNIC-DVECYGJZSA-N 3 2 390.531 3.680 20 0 GHADLP CCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H](C)c1cc2ccccc2o1 ZINC000369375104 923310588 /nfs/dbraw/zinc/31/05/88/923310588.db2.gz VWOSYTGJIFVQJV-MJGOQNOKSA-N 2 2 398.551 3.694 20 0 GHADLP CCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H](C)c1cc2ccccc2o1 ZINC000369375104 923310606 /nfs/dbraw/zinc/31/06/06/923310606.db2.gz VWOSYTGJIFVQJV-MJGOQNOKSA-N 2 2 398.551 3.694 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000369998273 923791733 /nfs/dbraw/zinc/79/17/33/923791733.db2.gz RAIGXGRZBBYRLY-FQEVSTJZSA-N 2 2 388.515 3.668 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000369998273 923791746 /nfs/dbraw/zinc/79/17/46/923791746.db2.gz RAIGXGRZBBYRLY-FQEVSTJZSA-N 2 2 388.515 3.668 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](CC3CCCC3)c3ccccc3)C2)CC1 ZINC000676925534 924154570 /nfs/dbraw/zinc/15/45/70/924154570.db2.gz YVYXDPICMAJQKK-JTHBVZDNSA-N 2 2 398.595 3.776 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](CC3CCCC3)c3ccccc3)C2)CC1 ZINC000676925534 924154576 /nfs/dbraw/zinc/15/45/76/924154576.db2.gz YVYXDPICMAJQKK-JTHBVZDNSA-N 2 2 398.595 3.776 20 0 GHADLP COc1cc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)ccc1OCc1ccncc1 ZINC000371069133 924415147 /nfs/dbraw/zinc/41/51/47/924415147.db2.gz LNLJHJKWKLEILF-FQEVSTJZSA-N 2 2 392.503 3.841 20 0 GHADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(CN3CCCC3=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000677805964 924505767 /nfs/dbraw/zinc/50/57/67/924505767.db2.gz RWUMIZDZJXFCPP-HSZRJFAPSA-N 2 2 391.559 3.952 20 0 GHADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(CN3CCCC3=O)cc2)C[N@H+]1Cc1ccccc1 ZINC000677805964 924505773 /nfs/dbraw/zinc/50/57/73/924505773.db2.gz RWUMIZDZJXFCPP-HSZRJFAPSA-N 2 2 391.559 3.952 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000409533195 924739308 /nfs/dbraw/zinc/73/93/08/924739308.db2.gz FZWVWFXYEUUJKY-LEWJYISDSA-N 2 2 385.939 3.896 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3c[nH]c4ccc(F)cc34)CC[C@@H]21 ZINC001137337413 924766067 /nfs/dbraw/zinc/76/60/67/924766067.db2.gz ZPJBDQCQZJYEMF-MONBJTKQSA-N 2 2 395.526 3.877 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3c[nH]c4ccc(F)cc34)CC[C@@H]21 ZINC001137337413 924766074 /nfs/dbraw/zinc/76/60/74/924766074.db2.gz ZPJBDQCQZJYEMF-MONBJTKQSA-N 2 2 395.526 3.877 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3c[nH]c4ccc(F)cc34)CC[C@@H]21 ZINC001137337413 924766077 /nfs/dbraw/zinc/76/60/77/924766077.db2.gz ZPJBDQCQZJYEMF-MONBJTKQSA-N 2 2 395.526 3.877 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3c[nH]c4ccc(F)cc34)CC[C@@H]21 ZINC001137337413 924766086 /nfs/dbraw/zinc/76/60/86/924766086.db2.gz ZPJBDQCQZJYEMF-MONBJTKQSA-N 2 2 395.526 3.877 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000678587867 924831734 /nfs/dbraw/zinc/83/17/34/924831734.db2.gz UGMXVPIEFDFRBX-KRWDZBQOSA-N 2 2 383.458 3.663 20 0 GHADLP c1ccc(COc2ccccc2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000678930767 924976709 /nfs/dbraw/zinc/97/67/09/924976709.db2.gz VPBNKTWNOVKDPG-QHCPKHFHSA-N 2 2 380.532 3.999 20 0 GHADLP COc1cc(-c2ccccc2)ccc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000679728893 925250694 /nfs/dbraw/zinc/25/06/94/925250694.db2.gz ZAEBYJJBENYJCF-HSZRJFAPSA-N 2 2 379.548 3.574 20 0 GHADLP COc1cc(-c2ccccc2)ccc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000679728893 925250696 /nfs/dbraw/zinc/25/06/96/925250696.db2.gz ZAEBYJJBENYJCF-HSZRJFAPSA-N 2 2 379.548 3.574 20 0 GHADLP CN(C(=O)N[C@@H](c1ccccc1)C1CCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681210021 925762610 /nfs/dbraw/zinc/76/26/10/925762610.db2.gz BQNYBMZAZKQMQV-PKTZIBPZSA-N 2 2 398.595 3.728 20 0 GHADLP CN(C(=O)N[C@@H](c1ccccc1)C1CCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681210021 925762615 /nfs/dbraw/zinc/76/26/15/925762615.db2.gz BQNYBMZAZKQMQV-PKTZIBPZSA-N 2 2 398.595 3.728 20 0 GHADLP C[C@H](CCC1CCCCC1)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218286 925765267 /nfs/dbraw/zinc/76/52/67/925765267.db2.gz JSWDZSYWHFRTDO-WIYYLYMNSA-N 2 2 378.605 3.545 20 0 GHADLP C[C@H](CCC1CCCCC1)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218286 925765286 /nfs/dbraw/zinc/76/52/86/925765286.db2.gz JSWDZSYWHFRTDO-WIYYLYMNSA-N 2 2 378.605 3.545 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)C2 ZINC000372949276 925783239 /nfs/dbraw/zinc/78/32/39/925783239.db2.gz MTBSPPKQXJCFRX-WIYYLYMNSA-N 2 2 380.536 3.591 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)CC2 ZINC000372949276 925783244 /nfs/dbraw/zinc/78/32/44/925783244.db2.gz MTBSPPKQXJCFRX-WIYYLYMNSA-N 2 2 380.536 3.591 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373107408 925864573 /nfs/dbraw/zinc/86/45/73/925864573.db2.gz SGKYRXCRGVFPDC-SFHVURJKSA-N 2 2 399.539 3.552 20 0 GHADLP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000681827473 925920597 /nfs/dbraw/zinc/92/05/97/925920597.db2.gz LSEOAMZOMXQGPX-QGZVFWFLSA-N 2 2 380.536 3.945 20 0 GHADLP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000681827473 925920607 /nfs/dbraw/zinc/92/06/07/925920607.db2.gz LSEOAMZOMXQGPX-QGZVFWFLSA-N 2 2 380.536 3.945 20 0 GHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+]([C@@H]4CCc5ccccc54)C3)CC2)nc1 ZINC000682068950 926002044 /nfs/dbraw/zinc/00/20/44/926002044.db2.gz IUIVUBXFUXHRSL-NFBKMPQASA-N 2 2 376.548 3.603 20 0 GHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+]([C@@H]4CCc5ccccc54)C3)CC2)nc1 ZINC000682068950 926002054 /nfs/dbraw/zinc/00/20/54/926002054.db2.gz IUIVUBXFUXHRSL-NFBKMPQASA-N 2 2 376.548 3.603 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000373550905 926241385 /nfs/dbraw/zinc/24/13/85/926241385.db2.gz XVOJTIRAQBGLCV-HYBUGGRVSA-N 2 2 378.564 3.798 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000373550905 926241391 /nfs/dbraw/zinc/24/13/91/926241391.db2.gz XVOJTIRAQBGLCV-HYBUGGRVSA-N 2 2 378.564 3.798 20 0 GHADLP COc1cc(C)nc(C[N@H+](C)[C@H]2CCCN(Cc3cc(OC)cc(C)[nH+]3)CC2)c1 ZINC000411399227 926365820 /nfs/dbraw/zinc/36/58/20/926365820.db2.gz FKSYGNUWPSFHFM-NRFANRHFSA-N 2 2 398.551 3.597 20 0 GHADLP COc1cc(C)nc(C[N@@H+](C)[C@H]2CCCN(Cc3cc(OC)cc(C)[nH+]3)CC2)c1 ZINC000411399227 926365826 /nfs/dbraw/zinc/36/58/26/926365826.db2.gz FKSYGNUWPSFHFM-NRFANRHFSA-N 2 2 398.551 3.597 20 0 GHADLP CSc1ccc(OC[C@@H](O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000411503156 926462375 /nfs/dbraw/zinc/46/23/75/926462375.db2.gz JVEHMIBXBKPRCY-IBGZPJMESA-N 2 2 389.565 3.537 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(OCc3nccn3C)cc1)CCC2 ZINC000374572994 927299119 /nfs/dbraw/zinc/29/91/19/927299119.db2.gz AKWVTIXSPUWFFL-HKUYNNGSSA-N 2 2 379.508 3.732 20 0 GHADLP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000543989159 928654557 /nfs/dbraw/zinc/65/45/57/928654557.db2.gz XHOYSLOWEHHRQQ-PMACEKPBSA-N 2 2 382.552 3.684 20 0 GHADLP C[NH+](C)C1(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCC1 ZINC000752823109 929040062 /nfs/dbraw/zinc/04/00/62/929040062.db2.gz ZJRXYSWTHYMIEZ-UHFFFAOYSA-N 2 2 384.351 3.558 20 0 GHADLP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000467937843 929613044 /nfs/dbraw/zinc/61/30/44/929613044.db2.gz LAFRKKFARNJENB-QPJJXVBHSA-N 2 2 398.510 3.718 20 0 GHADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000469518427 929960597 /nfs/dbraw/zinc/96/05/97/929960597.db2.gz DIKYUMXCLPKURE-IBGZPJMESA-N 2 2 397.485 3.833 20 0 GHADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000469518427 929960599 /nfs/dbraw/zinc/96/05/99/929960599.db2.gz DIKYUMXCLPKURE-IBGZPJMESA-N 2 2 397.485 3.833 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000469763483 930145648 /nfs/dbraw/zinc/14/56/48/930145648.db2.gz JXKRXJRAXZXTEU-IIBYNOLFSA-N 2 2 378.451 3.858 20 0 GHADLP C[C@@H]1CC[N@H+](Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C[C@H]1n1cc[nH+]c1 ZINC000759158488 930293834 /nfs/dbraw/zinc/29/38/34/930293834.db2.gz LQOPTAUXKVEGEX-IIBYNOLFSA-N 2 2 397.482 3.985 20 0 GHADLP C[C@@H]1CC[N@@H+](Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C[C@H]1n1cc[nH+]c1 ZINC000759158488 930293840 /nfs/dbraw/zinc/29/38/40/930293840.db2.gz LQOPTAUXKVEGEX-IIBYNOLFSA-N 2 2 397.482 3.985 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cn4cc(Cl)ccc4n3)CC2)cc1 ZINC000781454397 930853647 /nfs/dbraw/zinc/85/36/47/930853647.db2.gz XDVNUTSHNAWSAT-UHFFFAOYSA-N 2 2 383.927 3.812 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccccc2Oc2ccccc2)CC1 ZINC000547326588 930920593 /nfs/dbraw/zinc/92/05/93/930920593.db2.gz NANFRBIOHXSQIL-UHFFFAOYSA-N 2 2 382.504 3.986 20 0 GHADLP CC(C)[C@@H](C[NH2+][C@H](c1cc2ccccc2o1)c1ccccn1)N1CC[NH+](C)CC1 ZINC000924634138 931457009 /nfs/dbraw/zinc/45/70/09/931457009.db2.gz YABUKBJUJKNPMX-QPPBQGQZSA-N 2 2 392.547 3.779 20 0 GHADLP CCOc1cc(N2CCOC(C)(C)C2)ccc1[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000783310445 931517069 /nfs/dbraw/zinc/51/70/69/931517069.db2.gz PJWWKGZZDLEKAY-QGZVFWFLSA-N 2 2 375.557 3.843 20 0 GHADLP COC1(OC)CC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000924941263 931591518 /nfs/dbraw/zinc/59/15/18/931591518.db2.gz NIDVUPNSTVWTLW-QFIPXVFZSA-N 2 2 377.488 3.840 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCc2c1nccc2Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000924963882 931596756 /nfs/dbraw/zinc/59/67/56/931596756.db2.gz MYOVXNCQIHNFBI-AUUYWEPGSA-N 2 2 388.918 3.964 20 0 GHADLP CCc1ccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2cccnc2)cc1 ZINC000925093782 931642768 /nfs/dbraw/zinc/64/27/68/931642768.db2.gz LHGGILMTJKYFID-RDPSFJRHSA-N 2 2 379.548 3.824 20 0 GHADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000784532103 931927115 /nfs/dbraw/zinc/92/71/15/931927115.db2.gz IJPKNSSYFRFQJP-MRXNPFEDSA-N 2 2 395.532 3.651 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)NCc3ccccc3)C2)s1 ZINC000558396653 931977259 /nfs/dbraw/zinc/97/72/59/931977259.db2.gz FDHPWCITRPUNGL-QUCCMNQESA-N 2 2 385.577 3.515 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)NCc3ccccc3)C2)s1 ZINC000558396653 931977265 /nfs/dbraw/zinc/97/72/65/931977265.db2.gz FDHPWCITRPUNGL-QUCCMNQESA-N 2 2 385.577 3.515 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NCc3ccccc3)C2)s1 ZINC000558396653 931977270 /nfs/dbraw/zinc/97/72/70/931977270.db2.gz FDHPWCITRPUNGL-QUCCMNQESA-N 2 2 385.577 3.515 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NCc3ccccc3)C2)s1 ZINC000558396653 931977275 /nfs/dbraw/zinc/97/72/75/931977275.db2.gz FDHPWCITRPUNGL-QUCCMNQESA-N 2 2 385.577 3.515 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796811269 932076304 /nfs/dbraw/zinc/07/63/04/932076304.db2.gz NLVNOCNOKVYCSL-OAHLLOKOSA-N 2 2 376.545 3.764 20 0 GHADLP COc1cc(OC)c(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000798498255 932672913 /nfs/dbraw/zinc/67/29/13/932672913.db2.gz OUKDAIOWJQEKSE-HSZRJFAPSA-N 2 2 384.520 3.714 20 0 GHADLP COc1cc(OC)c(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000798498255 932672918 /nfs/dbraw/zinc/67/29/18/932672918.db2.gz OUKDAIOWJQEKSE-HSZRJFAPSA-N 2 2 384.520 3.714 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000798935057 932823078 /nfs/dbraw/zinc/82/30/78/932823078.db2.gz KKXDMVUPTQSUED-YFNKSVMNSA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000798935057 932823081 /nfs/dbraw/zinc/82/30/81/932823081.db2.gz KKXDMVUPTQSUED-YFNKSVMNSA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000798935057 932823086 /nfs/dbraw/zinc/82/30/86/932823086.db2.gz KKXDMVUPTQSUED-YFNKSVMNSA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000798935057 932823089 /nfs/dbraw/zinc/82/30/89/932823089.db2.gz KKXDMVUPTQSUED-YFNKSVMNSA-N 3 2 387.612 3.625 20 0 GHADLP COc1ccc2ccc(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)cc2c1 ZINC000560020641 933022527 /nfs/dbraw/zinc/02/25/27/933022527.db2.gz OJBXLNATHMSHNC-UHFFFAOYSA-N 2 2 395.547 3.529 20 0 GHADLP CN(c1ccccc1)C1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000560160453 933100256 /nfs/dbraw/zinc/10/02/56/933100256.db2.gz YHNGLTRNEXBFCP-RUZDIDTESA-N 2 2 393.575 3.878 20 0 GHADLP CN(c1ccccc1)C1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000560160453 933100271 /nfs/dbraw/zinc/10/02/71/933100271.db2.gz YHNGLTRNEXBFCP-RUZDIDTESA-N 2 2 393.575 3.878 20 0 GHADLP OC(C[NH+]1CCC(CC(F)(F)F)CC1)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000560170005 933107289 /nfs/dbraw/zinc/10/72/89/933107289.db2.gz LYECJSFXCYUBQS-UHFFFAOYSA-N 2 2 390.412 3.676 20 0 GHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000560243660 933151580 /nfs/dbraw/zinc/15/15/80/933151580.db2.gz DJWSPGVQFHAJRA-NTSGDEEZSA-N 2 2 380.536 3.835 20 0 GHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000560243658 933151604 /nfs/dbraw/zinc/15/16/04/933151604.db2.gz DJWSPGVQFHAJRA-DGEVVOEJSA-N 2 2 380.536 3.835 20 0 GHADLP Cc1oc(C(C)C)nc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000560598253 933373235 /nfs/dbraw/zinc/37/32/35/933373235.db2.gz SMMHIBCNUABTIS-OALUTQOASA-N 2 2 390.572 3.516 20 0 GHADLP Cc1oc(C(C)C)nc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000560598253 933373244 /nfs/dbraw/zinc/37/32/44/933373244.db2.gz SMMHIBCNUABTIS-OALUTQOASA-N 2 2 390.572 3.516 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(OCC(F)F)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC001116507593 933599285 /nfs/dbraw/zinc/59/92/85/933599285.db2.gz SDRQZZFFEADROM-SJLPKXTDSA-N 2 2 375.463 3.868 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(OCC(F)F)ccn2)CC[N@H+]1Cc1ccccc1 ZINC001116507593 933599304 /nfs/dbraw/zinc/59/93/04/933599304.db2.gz SDRQZZFFEADROM-SJLPKXTDSA-N 2 2 375.463 3.868 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(NC(=O)OC(C)(C)C)n1 ZINC001116904480 933821289 /nfs/dbraw/zinc/82/12/89/933821289.db2.gz QCLQAYQJCVSZJP-UHFFFAOYSA-N 2 2 394.435 3.570 20 0 GHADLP [NH3+]C[C@@H]([NH2+]CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1)C1CCCCC1 ZINC001117985249 934071105 /nfs/dbraw/zinc/07/11/05/934071105.db2.gz HSVHWENBZKROLJ-MRXNPFEDSA-N 2 2 391.865 3.733 20 0 GHADLP CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000562306752 934814364 /nfs/dbraw/zinc/81/43/64/934814364.db2.gz BQNRJMBIKZVFPZ-UHFFFAOYSA-N 2 2 380.598 3.657 20 0 GHADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001137728261 935752837 /nfs/dbraw/zinc/75/28/37/935752837.db2.gz YSYZDGZCPFOFSW-UHFFFAOYSA-N 2 2 380.536 3.529 20 0 GHADLP COC(=O)c1ccccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001137787562 935790187 /nfs/dbraw/zinc/79/01/87/935790187.db2.gz KZMHEUJCXCILIR-PMOQBDJRSA-N 2 2 393.531 3.601 20 0 GHADLP COC(=O)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001137787562 935790192 /nfs/dbraw/zinc/79/01/92/935790192.db2.gz KZMHEUJCXCILIR-PMOQBDJRSA-N 2 2 393.531 3.601 20 0 GHADLP COC(=O)c1ccccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001137787562 935790195 /nfs/dbraw/zinc/79/01/95/935790195.db2.gz KZMHEUJCXCILIR-PMOQBDJRSA-N 2 2 393.531 3.601 20 0 GHADLP COC(=O)c1ccccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001137787562 935790197 /nfs/dbraw/zinc/79/01/97/935790197.db2.gz KZMHEUJCXCILIR-PMOQBDJRSA-N 2 2 393.531 3.601 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4scnc4Cl)CC3)C2)cc1 ZINC001137820988 935807934 /nfs/dbraw/zinc/80/79/34/935807934.db2.gz CHHLGSZUKUDCQZ-UHFFFAOYSA-N 2 2 391.968 3.972 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4scnc4Cl)CC3)C2)cc1 ZINC001137820988 935807938 /nfs/dbraw/zinc/80/79/38/935807938.db2.gz CHHLGSZUKUDCQZ-UHFFFAOYSA-N 2 2 391.968 3.972 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000545205419 1015653393 /nfs/dbraw/zinc/65/33/93/1015653393.db2.gz WSJBCJHMCLHIAD-UHFFFAOYSA-N 2 2 376.516 3.645 20 0 GHADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](CCSc2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000545866954 1016547639 /nfs/dbraw/zinc/54/76/39/1016547639.db2.gz HQECYFHGPHDYEJ-LEWJYISDSA-N 2 2 392.515 3.845 20 0 GHADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](CCSc2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000545866954 1016547644 /nfs/dbraw/zinc/54/76/44/1016547644.db2.gz HQECYFHGPHDYEJ-LEWJYISDSA-N 2 2 392.515 3.845 20 0 GHADLP CC[C@@H]1CN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000546838424 1016753009 /nfs/dbraw/zinc/75/30/09/1016753009.db2.gz XYERILHWFLNLQL-HXUWFJFHSA-N 2 2 377.492 3.771 20 0 GHADLP CC[C@@H]1CN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC[N@H+]1Cc1ccccc1 ZINC000546838424 1016753021 /nfs/dbraw/zinc/75/30/21/1016753021.db2.gz XYERILHWFLNLQL-HXUWFJFHSA-N 2 2 377.492 3.771 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000470517809 1016808066 /nfs/dbraw/zinc/80/80/66/1016808066.db2.gz ZLBYWJMWKUESMF-HXUWFJFHSA-N 2 2 388.515 3.917 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000470517809 1016808077 /nfs/dbraw/zinc/80/80/77/1016808077.db2.gz ZLBYWJMWKUESMF-HXUWFJFHSA-N 2 2 388.515 3.917 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC2(Cc3ccccc3)CCC(F)(F)CC2)cc1 ZINC001220942935 1032200123 /nfs/dbraw/zinc/20/01/23/1032200123.db2.gz MBVVSVRKDMHOQL-LJQANCHMSA-N 2 2 387.474 3.566 20 0 GHADLP Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc(C(C)C)[nH+]1 ZINC001155361725 1032518941 /nfs/dbraw/zinc/51/89/41/1032518941.db2.gz MWOULQXHJAURAL-OAQYLSRUSA-N 3 2 393.579 3.822 20 0 GHADLP Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc(C(C)C)[nH+]1 ZINC001155361725 1032518945 /nfs/dbraw/zinc/51/89/45/1032518945.db2.gz MWOULQXHJAURAL-OAQYLSRUSA-N 3 2 393.579 3.822 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC001204208999 1032659419 /nfs/dbraw/zinc/65/94/19/1032659419.db2.gz NDKNQQGOVLSLIH-GOSISDBHSA-N 2 2 376.447 3.813 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC001204208999 1032659421 /nfs/dbraw/zinc/65/94/21/1032659421.db2.gz NDKNQQGOVLSLIH-GOSISDBHSA-N 2 2 376.447 3.813 20 0 GHADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000558272914 1017154310 /nfs/dbraw/zinc/15/43/10/1017154310.db2.gz SPKUZYPJQJKJAG-AWEZNQCLSA-N 2 2 377.330 3.659 20 0 GHADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000558272914 1017154318 /nfs/dbraw/zinc/15/43/18/1017154318.db2.gz SPKUZYPJQJKJAG-AWEZNQCLSA-N 2 2 377.330 3.659 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC001204268710 1032711244 /nfs/dbraw/zinc/71/12/44/1032711244.db2.gz OCDQYNUMIWIBHR-HXUWFJFHSA-N 2 2 376.541 3.713 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC001204268710 1032711261 /nfs/dbraw/zinc/71/12/61/1032711261.db2.gz OCDQYNUMIWIBHR-HXUWFJFHSA-N 2 2 376.541 3.713 20 0 GHADLP Fc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc1Cl ZINC001204280533 1032721509 /nfs/dbraw/zinc/72/15/09/1032721509.db2.gz CIHVTQUALWJZNU-UHFFFAOYSA-N 2 2 378.875 3.939 20 0 GHADLP Fc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc1Cl ZINC001204280533 1032721519 /nfs/dbraw/zinc/72/15/19/1032721519.db2.gz CIHVTQUALWJZNU-UHFFFAOYSA-N 2 2 378.875 3.939 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)N3CCCC4(CC[NH+](C)CC4)C3)ccc21 ZINC000931589456 1018009818 /nfs/dbraw/zinc/00/98/18/1018009818.db2.gz BMWGRTFEGGPCTF-UHFFFAOYSA-N 2 2 381.524 3.641 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000562905724 1018785395 /nfs/dbraw/zinc/78/53/95/1018785395.db2.gz VISGAYUXDZOIGU-GASCZTMLSA-N 2 2 379.346 3.554 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000562905724 1018785410 /nfs/dbraw/zinc/78/54/10/1018785410.db2.gz VISGAYUXDZOIGU-GASCZTMLSA-N 2 2 379.346 3.554 20 0 GHADLP CC(C)c1[nH+]c(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c2ccccn21 ZINC000576949492 1020093475 /nfs/dbraw/zinc/09/34/75/1020093475.db2.gz GWNUQNULVDGCTC-SFHVURJKSA-N 3 2 378.524 3.605 20 0 GHADLP CC[C@@H](C(=O)Nc1nc2c(s1)C[NH+](C(C)C)CC2)[N@@H+](C)Cc1ccccc1 ZINC000577151036 1020134994 /nfs/dbraw/zinc/13/49/94/1020134994.db2.gz PTCIPGLWEWDGTP-SFHVURJKSA-N 2 2 386.565 3.759 20 0 GHADLP CC[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2)[NH+](C)Cc1ccccc1 ZINC000577151036 1020135006 /nfs/dbraw/zinc/13/50/06/1020135006.db2.gz PTCIPGLWEWDGTP-SFHVURJKSA-N 2 2 386.565 3.759 20 0 GHADLP CC[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2)[NH+](C)Cc1ccccc1 ZINC000577151036 1020135020 /nfs/dbraw/zinc/13/50/20/1020135020.db2.gz PTCIPGLWEWDGTP-SFHVURJKSA-N 2 2 386.565 3.759 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c(F)cccc4C(F)(F)F)C[C@H]3C2)cn1 ZINC001204462667 1032903813 /nfs/dbraw/zinc/90/38/13/1032903813.db2.gz ATCROZREIXGESA-HZPDHXFCSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c(F)cccc4C(F)(F)F)C[C@H]3C2)cn1 ZINC001204462667 1032903816 /nfs/dbraw/zinc/90/38/16/1032903816.db2.gz ATCROZREIXGESA-HZPDHXFCSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c(F)cccc4C(F)(F)F)C[C@H]3C2)cn1 ZINC001204462667 1032903823 /nfs/dbraw/zinc/90/38/23/1032903823.db2.gz ATCROZREIXGESA-HZPDHXFCSA-N 2 2 396.432 3.532 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccsc3Br)CC2)CC1 ZINC000628188096 1020674757 /nfs/dbraw/zinc/67/47/57/1020674757.db2.gz NMOUIOZHHMVOMN-UHFFFAOYSA-N 2 2 386.403 3.501 20 0 GHADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000647815256 1021151156 /nfs/dbraw/zinc/15/11/56/1021151156.db2.gz WIOFJTJEYMLLTB-HSZRJFAPSA-N 2 2 397.950 3.762 20 0 GHADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000647815256 1021151160 /nfs/dbraw/zinc/15/11/60/1021151160.db2.gz WIOFJTJEYMLLTB-HSZRJFAPSA-N 2 2 397.950 3.762 20 0 GHADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834515053 1021236991 /nfs/dbraw/zinc/23/69/91/1021236991.db2.gz ZBRRSCVFEPETLV-MOPGFXCFSA-N 2 2 388.556 3.818 20 0 GHADLP COc1ccc2c(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cn(C(=O)OC(C)(C)C)c2c1 ZINC001140369861 1021511367 /nfs/dbraw/zinc/51/13/67/1021511367.db2.gz SSMUGVGXCYBARZ-HSZRJFAPSA-N 2 2 399.535 3.961 20 0 GHADLP COc1ccc2c(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cn(C(=O)OC(C)(C)C)c2c1 ZINC001140369861 1021511376 /nfs/dbraw/zinc/51/13/76/1021511376.db2.gz SSMUGVGXCYBARZ-HSZRJFAPSA-N 2 2 399.535 3.961 20 0 GHADLP COc1ccc2c(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)cn(C(=O)OC(C)(C)C)c2c1 ZINC001140369861 1021511388 /nfs/dbraw/zinc/51/13/88/1021511388.db2.gz SSMUGVGXCYBARZ-HSZRJFAPSA-N 2 2 399.535 3.961 20 0 GHADLP COc1ccc2c(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)cn(C(=O)OC(C)(C)C)c2c1 ZINC001140369861 1021511400 /nfs/dbraw/zinc/51/14/00/1021511400.db2.gz SSMUGVGXCYBARZ-HSZRJFAPSA-N 2 2 399.535 3.961 20 0 GHADLP Fc1ccccc1-c1ncc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001140399890 1021566207 /nfs/dbraw/zinc/56/62/07/1021566207.db2.gz LHUBDWVGIQNGQU-NHCUHLMSSA-N 2 2 388.490 3.847 20 0 GHADLP c1csc([C@@H]([NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2nnc[nH]2)c1 ZINC000903455020 1021603655 /nfs/dbraw/zinc/60/36/55/1021603655.db2.gz HBZFRXMDJGFMAK-YOUFYPILSA-N 2 2 393.560 3.846 20 0 GHADLP c1csc([C@@H]([NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2nnc[nH]2)c1 ZINC000903455020 1021603667 /nfs/dbraw/zinc/60/36/67/1021603667.db2.gz HBZFRXMDJGFMAK-YOUFYPILSA-N 2 2 393.560 3.846 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4nc(Cl)ccc43)CC2)cc1 ZINC000834885868 1021614600 /nfs/dbraw/zinc/61/46/00/1021614600.db2.gz GBVDPDBQUCILGM-FQEVSTJZSA-N 2 2 398.938 3.935 20 0 GHADLP FC(F)(F)Oc1cc(Br)ccc1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001140513303 1021902109 /nfs/dbraw/zinc/90/21/09/1021902109.db2.gz MSEXUWAJPQTBAX-UHFFFAOYSA-N 2 2 390.203 3.603 20 0 GHADLP FC(F)(F)Oc1cc(Br)ccc1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001140513303 1021902115 /nfs/dbraw/zinc/90/21/15/1021902115.db2.gz MSEXUWAJPQTBAX-UHFFFAOYSA-N 2 2 390.203 3.603 20 0 GHADLP COC(=O)c1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001204679326 1033028204 /nfs/dbraw/zinc/02/82/04/1033028204.db2.gz LLQQZTVGLVHNKY-XMMPIXPASA-N 2 2 378.516 3.961 20 0 GHADLP COC(=O)c1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001204679326 1033028218 /nfs/dbraw/zinc/02/82/18/1033028218.db2.gz LLQQZTVGLVHNKY-XMMPIXPASA-N 2 2 378.516 3.961 20 0 GHADLP COC(=O)c1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001204679326 1033028229 /nfs/dbraw/zinc/02/82/29/1033028229.db2.gz LLQQZTVGLVHNKY-XMMPIXPASA-N 2 2 378.516 3.961 20 0 GHADLP COC(=O)c1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001204679326 1033028243 /nfs/dbraw/zinc/02/82/43/1033028243.db2.gz LLQQZTVGLVHNKY-XMMPIXPASA-N 2 2 378.516 3.961 20 0 GHADLP CN(C(=O)NC1CCC(c2ccccc2)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681212504 1022268763 /nfs/dbraw/zinc/26/87/63/1022268763.db2.gz FBFXLWFKLASOFV-BBHUYCHWSA-N 2 2 398.595 3.523 20 0 GHADLP CN(C(=O)NC1CCC(c2ccccc2)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681212504 1022268765 /nfs/dbraw/zinc/26/87/65/1022268765.db2.gz FBFXLWFKLASOFV-BBHUYCHWSA-N 2 2 398.595 3.523 20 0 GHADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]([C@@H](C)c3ccco3)C3CC3)cc2)CC1 ZINC000754874305 1022944972 /nfs/dbraw/zinc/94/49/72/1022944972.db2.gz YLTRFWZYGKUOED-SFHVURJKSA-N 2 2 396.535 3.586 20 0 GHADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]([C@@H](C)c3ccco3)C3CC3)cc2)CC1 ZINC000754874305 1022944978 /nfs/dbraw/zinc/94/49/78/1022944978.db2.gz YLTRFWZYGKUOED-SFHVURJKSA-N 2 2 396.535 3.586 20 0 GHADLP Cc1ccc(-n2cnn(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c2=S)c(C)c1 ZINC000755781583 1023375115 /nfs/dbraw/zinc/37/51/15/1023375115.db2.gz VUTDYDXWLDZHQW-IBGZPJMESA-N 2 2 385.581 3.641 20 0 GHADLP Cc1ccc(-n2cnn(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c2=S)c(C)c1 ZINC000755781583 1023375131 /nfs/dbraw/zinc/37/51/31/1023375131.db2.gz VUTDYDXWLDZHQW-IBGZPJMESA-N 2 2 385.581 3.641 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(F)c1 ZINC001204921788 1033167342 /nfs/dbraw/zinc/16/73/42/1033167342.db2.gz AMPIKAFBYJFWTQ-LXBDKUERSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(F)c1 ZINC001204921788 1033167366 /nfs/dbraw/zinc/16/73/66/1033167366.db2.gz AMPIKAFBYJFWTQ-LXBDKUERSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(F)c1 ZINC001204921788 1033167377 /nfs/dbraw/zinc/16/73/77/1033167377.db2.gz AMPIKAFBYJFWTQ-LXBDKUERSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(F)c1 ZINC001204921788 1033167384 /nfs/dbraw/zinc/16/73/84/1033167384.db2.gz AMPIKAFBYJFWTQ-LXBDKUERSA-N 2 2 383.511 3.962 20 0 GHADLP COCC[N@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)C1CC[NH+](C)CC1 ZINC001138250495 1024465107 /nfs/dbraw/zinc/46/51/07/1024465107.db2.gz FAWUDFPGXHRZPX-UHFFFAOYSA-N 2 2 386.511 3.947 20 0 GHADLP COCC[N@@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)C1CC[NH+](C)CC1 ZINC001138250495 1024465112 /nfs/dbraw/zinc/46/51/12/1024465112.db2.gz FAWUDFPGXHRZPX-UHFFFAOYSA-N 2 2 386.511 3.947 20 0 GHADLP CC(C)[NH+]1CCN(C(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001141401502 1024898406 /nfs/dbraw/zinc/89/84/06/1024898406.db2.gz AJYNPAZQEVGLDL-HSZRJFAPSA-N 2 2 397.538 3.580 20 0 GHADLP CC(C)[NH+]1CCN(C(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001141401503 1024898683 /nfs/dbraw/zinc/89/86/83/1024898683.db2.gz AJYNPAZQEVGLDL-QHCPKHFHSA-N 2 2 397.538 3.580 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC001138544722 1024989599 /nfs/dbraw/zinc/98/95/99/1024989599.db2.gz NMBQTTSXGDMMJW-UHFFFAOYSA-N 2 2 382.508 3.766 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC001138544722 1024989609 /nfs/dbraw/zinc/98/96/09/1024989609.db2.gz NMBQTTSXGDMMJW-UHFFFAOYSA-N 2 2 382.508 3.766 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc(Oc5ncccn5)c4)C[C@@H]3C2)cc1 ZINC001138622712 1025120429 /nfs/dbraw/zinc/12/04/29/1025120429.db2.gz SJLWEKJPOSLSPU-VXKWHMMOSA-N 2 2 386.499 3.833 20 0 GHADLP C[NH+](C)CCOc1ccc(C[NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)cc1 ZINC001138772242 1025342257 /nfs/dbraw/zinc/34/22/57/1025342257.db2.gz VMGDJSGQWANBCG-UHFFFAOYSA-N 3 2 399.554 3.863 20 0 GHADLP C[NH+](C)CCOc1ccc(C[NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)cc1 ZINC001138772242 1025342271 /nfs/dbraw/zinc/34/22/71/1025342271.db2.gz VMGDJSGQWANBCG-UHFFFAOYSA-N 3 2 399.554 3.863 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc4occc4c3)CC2)C1 ZINC001138825983 1025434436 /nfs/dbraw/zinc/43/44/36/1025434436.db2.gz LHRGOIOGTBJFJC-IBGZPJMESA-N 2 2 399.535 3.996 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc4occc4c3)CC2)C1 ZINC001138825983 1025434440 /nfs/dbraw/zinc/43/44/40/1025434440.db2.gz LHRGOIOGTBJFJC-IBGZPJMESA-N 2 2 399.535 3.996 20 0 GHADLP COC(=O)c1cccc(CN(c2cc(C)[nH+]c(C(C)C)n2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162192361 1025659649 /nfs/dbraw/zinc/65/96/49/1025659649.db2.gz UYXJJANOYWTWLI-MXVIHJGJSA-N 2 2 396.535 3.972 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C(F)(F)F)cn4)C[C@H]3C2)cc1 ZINC001139012633 1025765298 /nfs/dbraw/zinc/76/52/98/1025765298.db2.gz CDLOOZBBNVBJEZ-QZTJIDSGSA-N 2 2 375.438 3.973 20 0 GHADLP c1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)cc(C[NH+]2CCOCC2)c1 ZINC001139058451 1025845820 /nfs/dbraw/zinc/84/58/20/1025845820.db2.gz OURLZJXJALFYRX-TZRRMPRUSA-N 2 2 384.564 3.546 20 0 GHADLP c1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)cc(C[NH+]2CCOCC2)c1 ZINC001139058451 1025845847 /nfs/dbraw/zinc/84/58/47/1025845847.db2.gz OURLZJXJALFYRX-TZRRMPRUSA-N 2 2 384.564 3.546 20 0 GHADLP Cc1ccc(OC2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC001139062922 1025857232 /nfs/dbraw/zinc/85/72/32/1025857232.db2.gz XYJHONIXLQXQHA-UHFFFAOYSA-N 2 2 380.532 3.871 20 0 GHADLP CC[NH+](CC)CCN(CCC(F)(F)F)c1nc2ccccc2n2c[nH+]cc12 ZINC001162873314 1025948226 /nfs/dbraw/zinc/94/82/26/1025948226.db2.gz GIYLZAOMXLEOQC-UHFFFAOYSA-N 2 2 379.430 3.983 20 0 GHADLP COc1ccccc1[C@H](Nc1cccc(N2CC[NH+](C)CC2)[nH+]1)C(F)(F)F ZINC001162903968 1025960663 /nfs/dbraw/zinc/96/06/63/1025960663.db2.gz UGFQBJBIKZPCMR-SFHVURJKSA-N 2 2 380.414 3.558 20 0 GHADLP COc1ccc([C@H](O)C[N@H+](CCc2c[nH+]cn2C)[C@@H](C)Cc2ccccc2)cc1 ZINC000839646560 1026160659 /nfs/dbraw/zinc/16/06/59/1026160659.db2.gz JQCVMTOKWDBUCB-YADARESESA-N 2 2 393.531 3.638 20 0 GHADLP COc1ccc([C@H](O)C[N@@H+](CCc2c[nH+]cn2C)[C@@H](C)Cc2ccccc2)cc1 ZINC000839646560 1026160665 /nfs/dbraw/zinc/16/06/65/1026160665.db2.gz JQCVMTOKWDBUCB-YADARESESA-N 2 2 393.531 3.638 20 0 GHADLP FC(F)(F)c1nc([C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)no1 ZINC001139360630 1026235389 /nfs/dbraw/zinc/23/53/89/1026235389.db2.gz ZYTCJYOJUGEBEB-CQSZACIVSA-N 2 2 377.370 3.654 20 0 GHADLP FC(F)(F)c1nc([C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)no1 ZINC001139360630 1026235401 /nfs/dbraw/zinc/23/54/01/1026235401.db2.gz ZYTCJYOJUGEBEB-CQSZACIVSA-N 2 2 377.370 3.654 20 0 GHADLP CCc1c(Cl)nc(-c2ccccc2)nc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164211017 1026453022 /nfs/dbraw/zinc/45/30/22/1026453022.db2.gz JNSQMVNHPZXWQV-UHFFFAOYSA-N 2 2 387.959 3.797 20 0 GHADLP COC(=O)C[C@H](c1cc[nH+]c(N2CCC(C3CC[NH+](C)CC3)CC2)c1)C1CC1 ZINC001165067531 1026585856 /nfs/dbraw/zinc/58/58/56/1026585856.db2.gz RJMOPJWPRIEHIK-NRFANRHFSA-N 2 2 385.552 3.697 20 0 GHADLP COc1cc2cc[nH+]c(N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@H]4C3)c2cc1OC ZINC001165081689 1026592184 /nfs/dbraw/zinc/59/21/84/1026592184.db2.gz BBMHKXBYMHJUNR-CTNGQTDRSA-N 2 2 389.499 3.963 20 0 GHADLP COc1cc2cc[nH+]c(N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@H]4C3)c2cc1OC ZINC001165081689 1026592187 /nfs/dbraw/zinc/59/21/87/1026592187.db2.gz BBMHKXBYMHJUNR-CTNGQTDRSA-N 2 2 389.499 3.963 20 0 GHADLP COc1cc2[nH+]c(N3CC4(C3)C[NH+](Cc3ccccc3)C4)ccc2c(OC)c1 ZINC001165125577 1026619997 /nfs/dbraw/zinc/61/99/97/1026619997.db2.gz ZGEIYPIEASLUKI-UHFFFAOYSA-N 2 2 375.472 3.574 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(F)c4ccccc34)C2)C1 ZINC001139889998 1026705178 /nfs/dbraw/zinc/70/51/78/1026705178.db2.gz NREVBRMCCCAONT-QHCPKHFHSA-N 2 2 386.511 3.540 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(F)c4ccccc34)C2)C1 ZINC001139889998 1026705188 /nfs/dbraw/zinc/70/51/88/1026705188.db2.gz NREVBRMCCCAONT-QHCPKHFHSA-N 2 2 386.511 3.540 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(F)c4ccccc34)C2)C1 ZINC001139889998 1026705197 /nfs/dbraw/zinc/70/51/97/1026705197.db2.gz NREVBRMCCCAONT-QHCPKHFHSA-N 2 2 386.511 3.540 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(F)c4ccccc34)C2)C1 ZINC001139889998 1026705203 /nfs/dbraw/zinc/70/52/03/1026705203.db2.gz NREVBRMCCCAONT-QHCPKHFHSA-N 2 2 386.511 3.540 20 0 GHADLP Cc1[nH+]c2c(n1-c1nc(-c3cccnc3)nc3sc(C)c(C)c31)CC[NH2+]CC2 ZINC001165355789 1026712104 /nfs/dbraw/zinc/71/21/04/1026712104.db2.gz YOOSVOZFRKPOIO-UHFFFAOYSA-N 2 2 390.516 3.552 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC001140022262 1026807030 /nfs/dbraw/zinc/80/70/30/1026807030.db2.gz CHUJWCGUNTZMHI-QFIPXVFZSA-N 2 2 375.472 3.889 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC001140022262 1026807037 /nfs/dbraw/zinc/80/70/37/1026807037.db2.gz CHUJWCGUNTZMHI-QFIPXVFZSA-N 2 2 375.472 3.889 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001140021738 1026807139 /nfs/dbraw/zinc/80/71/39/1026807139.db2.gz PVBUKYYUIMTXBY-JOCHJYFZSA-N 2 2 382.508 3.766 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001140021738 1026807146 /nfs/dbraw/zinc/80/71/46/1026807146.db2.gz PVBUKYYUIMTXBY-JOCHJYFZSA-N 2 2 382.508 3.766 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c(C)cc1I ZINC001461157645 1069417889 /nfs/dbraw/zinc/41/78/89/1069417889.db2.gz RFAJCRSIDITFKK-GFCCVEGCSA-N 2 2 383.277 3.530 20 0 GHADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ncc(-c3ccccc3)s2)c2ccccc2)CC1 ZINC001461149853 1069414418 /nfs/dbraw/zinc/41/44/18/1069414418.db2.gz PBKUDHRTXAVQRS-OAQYLSRUSA-N 2 2 392.572 3.888 20 0 GHADLP CC(C)C[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1)n1cc[nH+]c1 ZINC001166815615 1027092522 /nfs/dbraw/zinc/09/25/22/1027092522.db2.gz QKWBFKILXZJZDS-FGZHOGPDSA-N 2 2 382.552 3.839 20 0 GHADLP CC(C)C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1)n1cc[nH+]c1 ZINC001166815615 1027092534 /nfs/dbraw/zinc/09/25/34/1027092534.db2.gz QKWBFKILXZJZDS-FGZHOGPDSA-N 2 2 382.552 3.839 20 0 GHADLP COc1ccc2c(Nc3cc(N4C[C@@H](C)O[C@H](C)C4)[nH+]c(C)n3)cc[nH+]c2c1 ZINC001203523484 1027404764 /nfs/dbraw/zinc/40/47/64/1027404764.db2.gz PVWRCLMKRSYRBU-ZIAGYGMSSA-N 2 2 379.464 3.699 20 0 GHADLP CC(C)[N@H+](Cc1cc(I)cs1)C1CC[NH+](C)CC1 ZINC001141866435 1027502064 /nfs/dbraw/zinc/50/20/64/1027502064.db2.gz DMDYMTYDHHROIV-UHFFFAOYSA-N 2 2 378.323 3.657 20 0 GHADLP CC(C)[N@@H+](Cc1cc(I)cs1)C1CC[NH+](C)CC1 ZINC001141866435 1027502068 /nfs/dbraw/zinc/50/20/68/1027502068.db2.gz DMDYMTYDHHROIV-UHFFFAOYSA-N 2 2 378.323 3.657 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1OC(C)=O ZINC001203836482 1027644595 /nfs/dbraw/zinc/64/45/95/1027644595.db2.gz DNPKMPWYLVIFJQ-YADHBBJMSA-N 2 2 394.515 3.574 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1OC(C)=O ZINC001203836482 1027644602 /nfs/dbraw/zinc/64/46/02/1027644602.db2.gz DNPKMPWYLVIFJQ-YADHBBJMSA-N 2 2 394.515 3.574 20 0 GHADLP COc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1OC(C)=O ZINC001203836482 1027644607 /nfs/dbraw/zinc/64/46/07/1027644607.db2.gz DNPKMPWYLVIFJQ-YADHBBJMSA-N 2 2 394.515 3.574 20 0 GHADLP COc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1OC(C)=O ZINC001203836482 1027644615 /nfs/dbraw/zinc/64/46/15/1027644615.db2.gz DNPKMPWYLVIFJQ-YADHBBJMSA-N 2 2 394.515 3.574 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1O ZINC001203868999 1027672687 /nfs/dbraw/zinc/67/26/87/1027672687.db2.gz KHNBHIQWDXHLRE-TYPHKJRUSA-N 2 2 381.520 3.528 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1O ZINC001203868999 1027672690 /nfs/dbraw/zinc/67/26/90/1027672690.db2.gz KHNBHIQWDXHLRE-TYPHKJRUSA-N 2 2 381.520 3.528 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1O ZINC001203868999 1027672692 /nfs/dbraw/zinc/67/26/92/1027672692.db2.gz KHNBHIQWDXHLRE-TYPHKJRUSA-N 2 2 381.520 3.528 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1O ZINC001203868999 1027672694 /nfs/dbraw/zinc/67/26/94/1027672694.db2.gz KHNBHIQWDXHLRE-TYPHKJRUSA-N 2 2 381.520 3.528 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)nc(C)[nH+]1 ZINC001203961646 1027758005 /nfs/dbraw/zinc/75/80/05/1027758005.db2.gz FARCMEQUZNXPMW-UHFFFAOYSA-N 2 2 388.515 3.995 20 0 GHADLP CC(C)n1c(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)nc2ccccc21 ZINC001461353754 1069514781 /nfs/dbraw/zinc/51/47/81/1069514781.db2.gz HVDOXMIUPSNRLC-GOSISDBHSA-N 2 2 378.524 3.765 20 0 GHADLP CC(C)(C)OC(=O)Nc1cnc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cn1 ZINC001461446378 1069553796 /nfs/dbraw/zinc/55/37/96/1069553796.db2.gz ZGUBQCMBHULZJQ-UHFFFAOYSA-N 2 2 391.560 3.958 20 0 GHADLP C[C@@]1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCN(C(=O)OCc2ccccc2)C1 ZINC001461460272 1069559545 /nfs/dbraw/zinc/55/95/45/1069559545.db2.gz LBGCQMQBKWQFBZ-HSZRJFAPSA-N 2 2 390.487 3.763 20 0 GHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400777602 1029032390 /nfs/dbraw/zinc/03/23/90/1029032390.db2.gz OPUAWJPWHZHBAO-SJLPKXTDSA-N 2 2 378.561 3.923 20 0 GHADLP FC(F)Oc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OC(F)F ZINC001142822243 1029533317 /nfs/dbraw/zinc/53/33/17/1029533317.db2.gz KPNRRRYNULNSIF-CQSZACIVSA-N 2 2 386.345 3.938 20 0 GHADLP FC(F)Oc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OC(F)F ZINC001142822243 1029533328 /nfs/dbraw/zinc/53/33/28/1029533328.db2.gz KPNRRRYNULNSIF-CQSZACIVSA-N 2 2 386.345 3.938 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)s1 ZINC000842753325 1029563377 /nfs/dbraw/zinc/56/33/77/1029563377.db2.gz FQKKFIYMQHUESK-UHFFFAOYSA-N 2 2 390.553 3.519 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1)n1cc[nH+]c1 ZINC001142900859 1029660763 /nfs/dbraw/zinc/66/07/63/1029660763.db2.gz QZXGARAQSFHWJM-BDTNDASRSA-N 2 2 380.536 3.738 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1)n1cc[nH+]c1 ZINC001142900860 1029661206 /nfs/dbraw/zinc/66/12/06/1029661206.db2.gz QZXGARAQSFHWJM-BHDDXSALSA-N 2 2 380.536 3.738 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[C@@H](c4ccccc4)CC3)C2)CC1 ZINC001222012068 1029931363 /nfs/dbraw/zinc/93/13/63/1029931363.db2.gz UUCHIUJJYBWCDL-VSKRKVRLSA-N 2 2 398.595 3.571 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[C@@H](c4ccccc4)CC3)C2)CC1 ZINC001222012068 1029931365 /nfs/dbraw/zinc/93/13/65/1029931365.db2.gz UUCHIUJJYBWCDL-VSKRKVRLSA-N 2 2 398.595 3.571 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)ccc1C(F)(F)F ZINC001143345284 1030056231 /nfs/dbraw/zinc/05/62/31/1030056231.db2.gz PKUPVXQKVBDFON-IAGOWNOFSA-N 2 2 391.437 3.673 20 0 GHADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC001461612922 1069640898 /nfs/dbraw/zinc/64/08/98/1069640898.db2.gz IORVRDZSKBTFLV-OAHLLOKOSA-N 2 2 397.279 3.650 20 0 GHADLP Brc1cc(CN2CCC[C@]3(CCCC[NH2+]3)C2)ccc1-n1cc[nH+]c1 ZINC001222395286 1030104606 /nfs/dbraw/zinc/10/46/06/1030104606.db2.gz JWQSTIIGMWMFDS-LJQANCHMSA-N 2 2 389.341 3.743 20 0 GHADLP CC[N@H+](CCC[NH2+]Cc1cc(Br)cnc1OC)C1CCCCC1 ZINC001461616457 1069642831 /nfs/dbraw/zinc/64/28/31/1069642831.db2.gz OPJLEYXWXLYDNQ-UHFFFAOYSA-N 2 2 384.362 3.987 20 0 GHADLP CC[N@@H+](CCC[NH2+]Cc1cc(Br)cnc1OC)C1CCCCC1 ZINC001461616457 1069642839 /nfs/dbraw/zinc/64/28/39/1069642839.db2.gz OPJLEYXWXLYDNQ-UHFFFAOYSA-N 2 2 384.362 3.987 20 0 GHADLP Cc1cc(F)ncc1C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590505 1030215860 /nfs/dbraw/zinc/21/58/60/1030215860.db2.gz ILGZAEBFEPGKLU-OAQYLSRUSA-N 2 2 383.511 3.833 20 0 GHADLP Cc1cc(F)ncc1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590505 1030215875 /nfs/dbraw/zinc/21/58/75/1030215875.db2.gz ILGZAEBFEPGKLU-OAQYLSRUSA-N 2 2 383.511 3.833 20 0 GHADLP Cc1c(C(F)(F)F)cc(Cl)c(Cl)c1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218911226 1031148408 /nfs/dbraw/zinc/14/84/08/1031148408.db2.gz NSDAYQNZOACVBJ-NSHDSACASA-N 2 2 395.212 3.563 20 0 GHADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001218940263 1031165155 /nfs/dbraw/zinc/16/51/55/1031165155.db2.gz BDOUGJGLDLZGBA-QGZVFWFLSA-N 2 2 390.365 3.729 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@H]3CCC(C)C)CC2)CC1 ZINC001226485862 1031976876 /nfs/dbraw/zinc/97/68/76/1031976876.db2.gz DKLIDZGWEOTEFL-RBBKRZOGSA-N 2 2 392.632 3.793 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@H]3CCC(C)C)CC2)CC1 ZINC001226485862 1031976880 /nfs/dbraw/zinc/97/68/80/1031976880.db2.gz DKLIDZGWEOTEFL-RBBKRZOGSA-N 2 2 392.632 3.793 20 0 GHADLP C[NH2+][C@H](C(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C)c1ccccc1 ZINC001220534123 1031980876 /nfs/dbraw/zinc/98/08/76/1031980876.db2.gz VYFMYKPNKPUGSW-MSOLQXFVSA-N 2 2 380.319 3.673 20 0 GHADLP C[C@@H](CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)[N@@H+]1CCCC[C@@H]1C ZINC001220627125 1032027277 /nfs/dbraw/zinc/02/72/77/1032027277.db2.gz VEBMMEXLADWRRK-HOTGVXAUSA-N 2 2 389.931 3.588 20 0 GHADLP C[C@@H](CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)[N@H+]1CCCC[C@@H]1C ZINC001220627125 1032027290 /nfs/dbraw/zinc/02/72/90/1032027290.db2.gz VEBMMEXLADWRRK-HOTGVXAUSA-N 2 2 389.931 3.588 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2Br)C[C@H]1C[NH3+] ZINC001205319043 1033358347 /nfs/dbraw/zinc/35/83/47/1033358347.db2.gz XWVOREDIDSJOJC-CMPLNLGQSA-N 2 2 381.236 3.764 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2Br)C[C@H]1C[NH3+] ZINC001205319043 1033358369 /nfs/dbraw/zinc/35/83/69/1033358369.db2.gz XWVOREDIDSJOJC-CMPLNLGQSA-N 2 2 381.236 3.764 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC001205980063 1033667930 /nfs/dbraw/zinc/66/79/30/1033667930.db2.gz CMONATNPNMDVMG-GASCZTMLSA-N 2 2 390.915 3.919 20 0 GHADLP Fc1ccc(Cl)cc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001206007337 1033682665 /nfs/dbraw/zinc/68/26/65/1033682665.db2.gz PPSUDNNIHKZTCG-UHFFFAOYSA-N 2 2 378.875 3.939 20 0 GHADLP Fc1ccc(Cl)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001206007337 1033682671 /nfs/dbraw/zinc/68/26/71/1033682671.db2.gz PPSUDNNIHKZTCG-UHFFFAOYSA-N 2 2 378.875 3.939 20 0 GHADLP CCC[NH+]1C[C@H]2CN(c3[nH+]cnc4c3c(C)c(C)n4Cc3ccccc3)C[C@@H]2C1 ZINC001157701043 1033730530 /nfs/dbraw/zinc/73/05/30/1033730530.db2.gz ZFLANWRJJNYVRN-SFTDATJTSA-N 2 2 389.547 3.874 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C[C@H]1C(F)(F)F ZINC001206691965 1033946878 /nfs/dbraw/zinc/94/68/78/1033946878.db2.gz UPBJBMMBPLBEBB-DZOHQFGASA-N 2 2 390.490 3.893 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C[C@H]1C(F)(F)F ZINC001206691965 1033946884 /nfs/dbraw/zinc/94/68/84/1033946884.db2.gz UPBJBMMBPLBEBB-DZOHQFGASA-N 2 2 390.490 3.893 20 0 GHADLP Fc1cc(C[NH+]2CCOCC2)ccc1-c1ccc(COC2CC[NH2+]CC2)cc1 ZINC001206720017 1033957146 /nfs/dbraw/zinc/95/71/46/1033957146.db2.gz UKRKOKZVOMNCFH-UHFFFAOYSA-N 2 2 384.495 3.594 20 0 GHADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)cc1N1CCCCC1 ZINC001206769034 1033975993 /nfs/dbraw/zinc/97/59/93/1033975993.db2.gz MROKOINFNABHNO-CVEARBPZSA-N 2 2 380.374 3.999 20 0 GHADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Br)cc1N1CCCCC1 ZINC001206769034 1033975997 /nfs/dbraw/zinc/97/59/97/1033975997.db2.gz MROKOINFNABHNO-CVEARBPZSA-N 2 2 380.374 3.999 20 0 GHADLP C[NH+]1CCC(C[N@H+](CC(=O)Nc2ccccc2F)Cc2ccccc2F)CC1 ZINC001461895480 1069850384 /nfs/dbraw/zinc/85/03/84/1069850384.db2.gz GTQREELDXNJORD-UHFFFAOYSA-N 2 2 387.474 3.747 20 0 GHADLP C[NH+]1CCC(C[N@@H+](CC(=O)Nc2ccccc2F)Cc2ccccc2F)CC1 ZINC001461895480 1069850407 /nfs/dbraw/zinc/85/04/07/1069850407.db2.gz GTQREELDXNJORD-UHFFFAOYSA-N 2 2 387.474 3.747 20 0 GHADLP C[NH+](C)CCC[NH+](CCC[NH+](C)C)C[C@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207408614 1034349115 /nfs/dbraw/zinc/34/91/15/1034349115.db2.gz ZSILKGMIDCYLED-QFIPXVFZSA-N 3 2 381.649 3.860 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](CC[C@H](C)CCCC(C)(C)O)CC2 ZINC001207638725 1034502938 /nfs/dbraw/zinc/50/29/38/1034502938.db2.gz FNFUZHUDWMHRTG-GOSISDBHSA-N 2 2 378.605 3.851 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](CC[C@H](C)CCCC(C)(C)O)CC2 ZINC001207638725 1034502949 /nfs/dbraw/zinc/50/29/49/1034502949.db2.gz FNFUZHUDWMHRTG-GOSISDBHSA-N 2 2 378.605 3.851 20 0 GHADLP [NH3+]C1CCN(c2ccc(NC3=CC[C@H](OC(=O)c4ccccc4)CC3)c[nH+]2)CC1 ZINC001159324255 1034545285 /nfs/dbraw/zinc/54/52/85/1034545285.db2.gz YRTNTIABWBSQJV-NRFANRHFSA-N 2 2 392.503 3.714 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc4cc(N(C)C)ccc4c3)CC2)c1 ZINC001231443073 1034592262 /nfs/dbraw/zinc/59/22/62/1034592262.db2.gz CIUALOXWBPFQIY-UHFFFAOYSA-N 2 2 376.504 3.632 20 0 GHADLP Cc1nc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)cc(C(C)C)[nH+]1 ZINC001159459774 1034603964 /nfs/dbraw/zinc/60/39/64/1034603964.db2.gz DWWUEHXTJBFEMM-UHFFFAOYSA-N 3 2 377.536 3.818 20 0 GHADLP Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208187068 1034783215 /nfs/dbraw/zinc/78/32/15/1034783215.db2.gz QHFKCURNSOIOFL-UHFFFAOYSA-N 2 2 393.579 3.729 20 0 GHADLP Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208187068 1034783227 /nfs/dbraw/zinc/78/32/27/1034783227.db2.gz QHFKCURNSOIOFL-UHFFFAOYSA-N 2 2 393.579 3.729 20 0 GHADLP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001208206509 1034795971 /nfs/dbraw/zinc/79/59/71/1034795971.db2.gz PHTUXVFJXQMTLN-LJQANCHMSA-N 2 2 387.572 3.608 20 0 GHADLP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001208206509 1034795983 /nfs/dbraw/zinc/79/59/83/1034795983.db2.gz PHTUXVFJXQMTLN-LJQANCHMSA-N 2 2 387.572 3.608 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@H](C)Cc1ccc3c(c1)OCO3)[C@@H]2C ZINC001208213224 1034803272 /nfs/dbraw/zinc/80/32/72/1034803272.db2.gz HJFUQWZGZWIWDK-QZTJIDSGSA-N 2 2 398.551 3.707 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@H](C)Cc1ccc3c(c1)OCO3)[C@@H]2C ZINC001208213224 1034803277 /nfs/dbraw/zinc/80/32/77/1034803277.db2.gz HJFUQWZGZWIWDK-QZTJIDSGSA-N 2 2 398.551 3.707 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@H](C)Cc1ccc3c(c1)OCO3)[C@@H]2C ZINC001208213224 1034803292 /nfs/dbraw/zinc/80/32/92/1034803292.db2.gz HJFUQWZGZWIWDK-QZTJIDSGSA-N 2 2 398.551 3.707 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](CC1(c3ccccc3)CCOCC1)CC2 ZINC001208222311 1034810864 /nfs/dbraw/zinc/81/08/64/1034810864.db2.gz DTYNSGZCWFBWEX-UHFFFAOYSA-N 2 2 396.579 3.632 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](CC1(c3ccccc3)CCOCC1)CC2 ZINC001208222311 1034810875 /nfs/dbraw/zinc/81/08/75/1034810875.db2.gz DTYNSGZCWFBWEX-UHFFFAOYSA-N 2 2 396.579 3.632 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1Nc1ccc(CC2CC[NH2+]CC2)cc1 ZINC001160019351 1034831580 /nfs/dbraw/zinc/83/15/80/1034831580.db2.gz FBIYETHDEROJRF-UHFFFAOYSA-N 2 2 395.547 3.813 20 0 GHADLP CCC(CC)[N@H+](Cc1c[nH]c(=O)[nH]c1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001231703009 1034848508 /nfs/dbraw/zinc/84/85/08/1034848508.db2.gz LILNNQWIRUXPSM-UHFFFAOYSA-N 2 2 384.524 3.543 20 0 GHADLP CCC(CC)[N@@H+](Cc1c[nH]c(=O)[nH]c1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001231703009 1034848519 /nfs/dbraw/zinc/84/85/19/1034848519.db2.gz LILNNQWIRUXPSM-UHFFFAOYSA-N 2 2 384.524 3.543 20 0 GHADLP Cc1csc2sc(C[NH+]3CCC([NH+]4CCC(C(N)=O)CC4)CC3)c(C)c12 ZINC001231832697 1034934078 /nfs/dbraw/zinc/93/40/78/1034934078.db2.gz QZENTOLYJCDORO-UHFFFAOYSA-N 2 2 391.606 3.741 20 0 GHADLP CC[C@@H](CCC(=O)OC)C[NH+]1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001208783530 1035019928 /nfs/dbraw/zinc/01/99/28/1035019928.db2.gz RAOUOVHATYLEKE-SFHVURJKSA-N 2 2 393.597 3.861 20 0 GHADLP CC[C@@H](CCC(=O)OC)C[NH+]1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001208783530 1035019933 /nfs/dbraw/zinc/01/99/33/1035019933.db2.gz RAOUOVHATYLEKE-SFHVURJKSA-N 2 2 393.597 3.861 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)[nH]1 ZINC001232077157 1035080861 /nfs/dbraw/zinc/08/08/61/1035080861.db2.gz MRWZQQYUSAZCON-ZAAXVRCTSA-N 2 2 387.549 3.595 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)[nH]1 ZINC001232077157 1035080865 /nfs/dbraw/zinc/08/08/65/1035080865.db2.gz MRWZQQYUSAZCON-ZAAXVRCTSA-N 2 2 387.549 3.595 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)[nH]1 ZINC001232077157 1035080876 /nfs/dbraw/zinc/08/08/76/1035080876.db2.gz MRWZQQYUSAZCON-ZAAXVRCTSA-N 2 2 387.549 3.595 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)[nH]1 ZINC001232077157 1035080885 /nfs/dbraw/zinc/08/08/85/1035080885.db2.gz MRWZQQYUSAZCON-ZAAXVRCTSA-N 2 2 387.549 3.595 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4nc5ccccc5o4)CC3)C2)cc1 ZINC001208937009 1035105319 /nfs/dbraw/zinc/10/53/19/1035105319.db2.gz QMQHANGPVHMYIR-OAQYLSRUSA-N 2 2 390.531 3.862 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4nc5ccccc5o4)CC3)C2)cc1 ZINC001208937009 1035105323 /nfs/dbraw/zinc/10/53/23/1035105323.db2.gz QMQHANGPVHMYIR-OAQYLSRUSA-N 2 2 390.531 3.862 20 0 GHADLP CC(C)(C)OC(=O)N1CC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC001208950124 1035120590 /nfs/dbraw/zinc/12/05/90/1035120590.db2.gz QFUKUDZKNWWNCJ-HXUWFJFHSA-N 2 2 387.568 3.840 20 0 GHADLP CC(C)(C)OC(=O)N1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC001208950124 1035120594 /nfs/dbraw/zinc/12/05/94/1035120594.db2.gz QFUKUDZKNWWNCJ-HXUWFJFHSA-N 2 2 387.568 3.840 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC001208950124 1035120601 /nfs/dbraw/zinc/12/06/01/1035120601.db2.gz QFUKUDZKNWWNCJ-HXUWFJFHSA-N 2 2 387.568 3.840 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC001208950124 1035120604 /nfs/dbraw/zinc/12/06/04/1035120604.db2.gz QFUKUDZKNWWNCJ-HXUWFJFHSA-N 2 2 387.568 3.840 20 0 GHADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC001161030972 1035122472 /nfs/dbraw/zinc/12/24/72/1035122472.db2.gz OGMXLVKXDJMYGV-UHFFFAOYSA-N 2 2 388.515 3.687 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208957557 1035128953 /nfs/dbraw/zinc/12/89/53/1035128953.db2.gz LPMOATACMKUAAC-SFHLNBCPSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208957557 1035128961 /nfs/dbraw/zinc/12/89/61/1035128961.db2.gz LPMOATACMKUAAC-SFHLNBCPSA-N 2 2 387.568 3.838 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccnc(C(C)(C)C)c3)CC[C@@H]21 ZINC001232216808 1035166361 /nfs/dbraw/zinc/16/63/61/1035166361.db2.gz GTMRBKLJTBHYIL-FSSWDIPSSA-N 2 2 395.595 3.949 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccnc(C(C)(C)C)c3)CC[C@@H]21 ZINC001232216808 1035166367 /nfs/dbraw/zinc/16/63/67/1035166367.db2.gz GTMRBKLJTBHYIL-FSSWDIPSSA-N 2 2 395.595 3.949 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccnc(C(C)(C)C)c3)CC[C@@H]21 ZINC001232216808 1035166369 /nfs/dbraw/zinc/16/63/69/1035166369.db2.gz GTMRBKLJTBHYIL-FSSWDIPSSA-N 2 2 395.595 3.949 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccnc(C(C)(C)C)c3)CC[C@@H]21 ZINC001232216808 1035166375 /nfs/dbraw/zinc/16/63/75/1035166375.db2.gz GTMRBKLJTBHYIL-FSSWDIPSSA-N 2 2 395.595 3.949 20 0 GHADLP c1ccc(C[NH+]2CCc3ncnc(N[C@H]4CC[N@@H+](CC5CCCC5)C4)c3C2)cc1 ZINC001161182407 1035169471 /nfs/dbraw/zinc/16/94/71/1035169471.db2.gz YDZAJIHCCIZNPA-NRFANRHFSA-N 2 2 391.563 3.711 20 0 GHADLP c1ccc(C[NH+]2CCc3ncnc(N[C@H]4CC[N@H+](CC5CCCC5)C4)c3C2)cc1 ZINC001161182407 1035169477 /nfs/dbraw/zinc/16/94/77/1035169477.db2.gz YDZAJIHCCIZNPA-NRFANRHFSA-N 2 2 391.563 3.711 20 0 GHADLP c1ccc(C[N@@H+]2CCc3ncnc(N[C@H]4CC[NH+](CC5CCCC5)C4)c3C2)cc1 ZINC001161182407 1035169481 /nfs/dbraw/zinc/16/94/81/1035169481.db2.gz YDZAJIHCCIZNPA-NRFANRHFSA-N 2 2 391.563 3.711 20 0 GHADLP c1ccc(C[N@H+]2CCc3ncnc(N[C@H]4CC[NH+](CC5CCCC5)C4)c3C2)cc1 ZINC001161182407 1035169485 /nfs/dbraw/zinc/16/94/85/1035169485.db2.gz YDZAJIHCCIZNPA-NRFANRHFSA-N 2 2 391.563 3.711 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cnc(Cl)s1)CC2 ZINC001209468865 1035283386 /nfs/dbraw/zinc/28/33/86/1035283386.db2.gz LJORTIZDJNNDPO-CQSZACIVSA-N 2 2 381.929 3.645 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cnc(Cl)s1)CC2 ZINC001209468865 1035283392 /nfs/dbraw/zinc/28/33/92/1035283392.db2.gz LJORTIZDJNNDPO-CQSZACIVSA-N 2 2 381.929 3.645 20 0 GHADLP Fc1ccc(C[C@H]2C[NH2+][C@H](c3nc(-c4ccc(-n5cc[nH+]c5)cc4)no3)C2)cc1 ZINC001248592679 1035976934 /nfs/dbraw/zinc/97/69/34/1035976934.db2.gz DVVDFKFSJNPUBY-UZLBHIALSA-N 2 2 389.434 3.955 20 0 GHADLP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c2c1ccnc2Cl ZINC001248837929 1036196202 /nfs/dbraw/zinc/19/62/02/1036196202.db2.gz XXWGIDNCPOXCKA-HDICACEKSA-N 2 2 380.923 3.791 20 0 GHADLP Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c2c1ccnc2Cl ZINC001248837929 1036196216 /nfs/dbraw/zinc/19/62/16/1036196216.db2.gz XXWGIDNCPOXCKA-HDICACEKSA-N 2 2 380.923 3.791 20 0 GHADLP Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2c1ccnc2Cl ZINC001248837929 1036196226 /nfs/dbraw/zinc/19/62/26/1036196226.db2.gz XXWGIDNCPOXCKA-HDICACEKSA-N 2 2 380.923 3.791 20 0 GHADLP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2c1ccnc2Cl ZINC001248837929 1036196237 /nfs/dbraw/zinc/19/62/37/1036196237.db2.gz XXWGIDNCPOXCKA-HDICACEKSA-N 2 2 380.923 3.791 20 0 GHADLP C[C@H]1C[NH2+]C[C@H]1[NH2+]C[C@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245983764 1037107247 /nfs/dbraw/zinc/10/72/47/1037107247.db2.gz OLILKJZGZHFCIT-SYURPWHHSA-N 2 2 377.315 3.796 20 0 GHADLP O[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001246026822 1037144342 /nfs/dbraw/zinc/14/43/42/1037144342.db2.gz KFTMFIQCCPWFQP-MDOVXXIYSA-N 2 2 389.326 3.749 20 0 GHADLP O[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001246026822 1037144352 /nfs/dbraw/zinc/14/43/52/1037144352.db2.gz KFTMFIQCCPWFQP-MDOVXXIYSA-N 2 2 389.326 3.749 20 0 GHADLP O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246037806 1037152587 /nfs/dbraw/zinc/15/25/87/1037152587.db2.gz XNXULKAJPCQJKP-HOYKHHGWSA-N 2 2 393.531 3.669 20 0 GHADLP O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246037806 1037152600 /nfs/dbraw/zinc/15/26/00/1037152600.db2.gz XNXULKAJPCQJKP-HOYKHHGWSA-N 2 2 393.531 3.669 20 0 GHADLP Brc1ccc(-c2nc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cs2)cc1 ZINC001246307949 1037288064 /nfs/dbraw/zinc/28/80/64/1037288064.db2.gz HZCLNRKNCIHWSA-YIONKMFJSA-N 2 2 378.339 3.945 20 0 GHADLP [NH3+]C[C@@H]([NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1)c1ccccc1 ZINC001246506382 1037446428 /nfs/dbraw/zinc/44/64/28/1037446428.db2.gz HACIKYJDVHRDEP-MYDTUXCISA-N 2 2 377.532 3.607 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH+]2CCN(c3noc4ccccc43)CC2)CC[NH2+]1 ZINC001246529705 1037462875 /nfs/dbraw/zinc/46/28/75/1037462875.db2.gz UDLXBKBGFUAALN-NQIIRXRSSA-N 2 2 394.494 3.891 20 0 GHADLP [NH3+][C@]12C[C@H]1C[N@@H+]([C@H]1CC[C@]3(c4ccccc4)CC[NH+](Cc4ccccc4)[C@@H]3C1)C2 ZINC001246641864 1037523601 /nfs/dbraw/zinc/52/36/01/1037523601.db2.gz AAMAADSAZHNWIL-DQUFFZNGSA-N 3 2 387.571 3.784 20 0 GHADLP [NH3+][C@]12C[C@H]1C[N@H+]([C@H]1CC[C@]3(c4ccccc4)CC[NH+](Cc4ccccc4)[C@@H]3C1)C2 ZINC001246641864 1037523606 /nfs/dbraw/zinc/52/36/06/1037523606.db2.gz AAMAADSAZHNWIL-DQUFFZNGSA-N 3 2 387.571 3.784 20 0 GHADLP [NH3+][C@]12C[C@H]1C[NH+]([C@H]1CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C1)C2 ZINC001246641864 1037523616 /nfs/dbraw/zinc/52/36/16/1037523616.db2.gz AAMAADSAZHNWIL-DQUFFZNGSA-N 3 2 387.571 3.784 20 0 GHADLP [NH3+][C@]12C[C@H]1C[NH+]([C@H]1CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C1)C2 ZINC001246641864 1037523624 /nfs/dbraw/zinc/52/36/24/1037523624.db2.gz AAMAADSAZHNWIL-DQUFFZNGSA-N 3 2 387.571 3.784 20 0 GHADLP C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H](CC(=O)NCC4CC4)c4ccccc43)CC2)C[NH2+]1 ZINC001246661008 1037534004 /nfs/dbraw/zinc/53/40/04/1037534004.db2.gz QQQKLOFSDPHWNZ-HLAWJBBLSA-N 2 2 395.591 3.564 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001462195002 1070072064 /nfs/dbraw/zinc/07/20/64/1070072064.db2.gz FCIBVHMUMXHWMZ-OAQYLSRUSA-N 2 2 387.568 3.745 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001462195002 1070072083 /nfs/dbraw/zinc/07/20/83/1070072083.db2.gz FCIBVHMUMXHWMZ-OAQYLSRUSA-N 2 2 387.568 3.745 20 0 GHADLP c1ccc(C[N@@H+]2CCOC3(CC[NH+]([C@H]4CC[NH2+]C5(CCCCC5)C4)CC3)C2)cc1 ZINC001246753766 1037592539 /nfs/dbraw/zinc/59/25/39/1037592539.db2.gz CTLBMNYEMKUXAB-QHCPKHFHSA-N 3 2 397.607 3.808 20 0 GHADLP c1ccc(C[N@H+]2CCOC3(CC[NH+]([C@H]4CC[NH2+]C5(CCCCC5)C4)CC3)C2)cc1 ZINC001246753766 1037592566 /nfs/dbraw/zinc/59/25/66/1037592566.db2.gz CTLBMNYEMKUXAB-QHCPKHFHSA-N 3 2 397.607 3.808 20 0 GHADLP Clc1ccccc1C[NH+]1CCN([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246783516 1037624180 /nfs/dbraw/zinc/62/41/80/1037624180.db2.gz ONIVAZVBXLYCID-YADHBBJMSA-N 2 2 383.967 3.821 20 0 GHADLP Clc1ccccc1CN1CC[NH+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246783516 1037624204 /nfs/dbraw/zinc/62/42/04/1037624204.db2.gz ONIVAZVBXLYCID-YADHBBJMSA-N 2 2 383.967 3.821 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC001246809048 1037643075 /nfs/dbraw/zinc/64/30/75/1037643075.db2.gz ZWBZUAMGAJMIBF-BEZYRKKYSA-N 3 2 393.550 3.991 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC001246809048 1037643083 /nfs/dbraw/zinc/64/30/83/1037643083.db2.gz ZWBZUAMGAJMIBF-BEZYRKKYSA-N 3 2 393.550 3.991 20 0 GHADLP CCC(CC)[N@H+]([C@H]1CSC2(C[NH2+]C2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001246846195 1037670651 /nfs/dbraw/zinc/67/06/51/1037670651.db2.gz QEXIDEINSMQWKA-JOCHJYFZSA-N 3 2 387.637 3.989 20 0 GHADLP CCC(CC)[N@@H+]([C@H]1CSC2(C[NH2+]C2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001246846195 1037670661 /nfs/dbraw/zinc/67/06/61/1037670661.db2.gz QEXIDEINSMQWKA-JOCHJYFZSA-N 3 2 387.637 3.989 20 0 GHADLP CCOC(=O)C1CCC([N@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246954810 1037764908 /nfs/dbraw/zinc/76/49/08/1037764908.db2.gz HEZFFBKQJIPGCO-UHFFFAOYSA-N 2 2 398.469 3.780 20 0 GHADLP CCOC(=O)C1CCC([N@@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246954810 1037764929 /nfs/dbraw/zinc/76/49/29/1037764929.db2.gz HEZFFBKQJIPGCO-UHFFFAOYSA-N 2 2 398.469 3.780 20 0 GHADLP Cc1cc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)ncn1 ZINC001246961803 1037782859 /nfs/dbraw/zinc/78/28/59/1037782859.db2.gz AVIMYPHBQHIRGK-ZVDOUQERSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1cc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)ncn1 ZINC001246961803 1037782878 /nfs/dbraw/zinc/78/28/78/1037782878.db2.gz AVIMYPHBQHIRGK-ZVDOUQERSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H](N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)CC[NH2+]1 ZINC001246984221 1037807752 /nfs/dbraw/zinc/80/77/52/1037807752.db2.gz DRXSUAIVCVUABT-HOJAQTOUSA-N 2 2 381.486 3.733 20 0 GHADLP c1ccc(C(c2ccccc2)[NH+]2CC3(C2)CC[N@@H+]([C@@H]2C[C@H]4C[NH2+]C[C@H]4C2)C3)cc1 ZINC001246996110 1037820479 /nfs/dbraw/zinc/82/04/79/1037820479.db2.gz QVVAICZQLIALQZ-UBRQYEGLSA-N 3 2 387.571 3.782 20 0 GHADLP c1ccc(C(c2ccccc2)[NH+]2CC3(C2)CC[N@H+]([C@@H]2C[C@H]4C[NH2+]C[C@H]4C2)C3)cc1 ZINC001246996110 1037820499 /nfs/dbraw/zinc/82/04/99/1037820499.db2.gz QVVAICZQLIALQZ-UBRQYEGLSA-N 3 2 387.571 3.782 20 0 GHADLP Clc1cccc(-c2noc([C@@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)c1Cl ZINC001247127352 1037935957 /nfs/dbraw/zinc/93/59/57/1037935957.db2.gz PORCTIYYHYNMCQ-LBPRGKRZSA-N 2 2 390.274 3.659 20 0 GHADLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)Cc1cc(Cl)cc(Cl)c1 ZINC001232363834 1038142846 /nfs/dbraw/zinc/14/28/46/1038142846.db2.gz OKFPKKWUOPSHGO-UHFFFAOYSA-N 2 2 379.335 3.772 20 0 GHADLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)Cc1cc(Cl)cc(Cl)c1 ZINC001232363834 1038142856 /nfs/dbraw/zinc/14/28/56/1038142856.db2.gz OKFPKKWUOPSHGO-UHFFFAOYSA-N 2 2 379.335 3.772 20 0 GHADLP Brc1ccc2c(C3C[NH+](Cc4nc5ccccc5o4)C3)[nH+]cn2c1 ZINC001232558006 1038327370 /nfs/dbraw/zinc/32/73/70/1038327370.db2.gz APHVLFOBNJVNJG-UHFFFAOYSA-N 2 2 383.249 3.837 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3cccc(Cl)c3Br)no2)cc1 ZINC001247699317 1038338848 /nfs/dbraw/zinc/33/88/48/1038338848.db2.gz YOKGFKBKDPZJAW-ZDUSSCGKSA-N 2 2 393.672 3.778 20 0 GHADLP Clc1ccc(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c(Br)c1 ZINC001247859929 1038430385 /nfs/dbraw/zinc/43/03/85/1038430385.db2.gz JWXOEMYPNJFKOX-ZDUSSCGKSA-N 2 2 397.704 3.699 20 0 GHADLP c1ccc(COc2ccccc2-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)cc1 ZINC001247867069 1038436246 /nfs/dbraw/zinc/43/62/46/1038436246.db2.gz DOSGEGFIKKIXFY-IBGZPJMESA-N 2 2 390.487 3.862 20 0 GHADLP c1cn(-c2ccc(-c3noc(C4=CC5(CC[NH2+]CC5)c5ccccc54)n3)cc2)c[nH+]1 ZINC001247880855 1038448684 /nfs/dbraw/zinc/44/86/84/1038448684.db2.gz SGXGVYKUZXONRN-UHFFFAOYSA-N 2 2 395.466 3.989 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4ncsc4c3)CC[C@@H]21 ZINC001232740043 1038527485 /nfs/dbraw/zinc/52/74/85/1038527485.db2.gz JVIRXJGEUXGADE-DYXWJJEUSA-N 2 2 395.576 3.866 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4ncsc4c3)CC[C@@H]21 ZINC001232740043 1038527493 /nfs/dbraw/zinc/52/74/93/1038527493.db2.gz JVIRXJGEUXGADE-DYXWJJEUSA-N 2 2 395.576 3.866 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccc4ncsc4c3)CC[C@@H]21 ZINC001232740043 1038527503 /nfs/dbraw/zinc/52/75/03/1038527503.db2.gz JVIRXJGEUXGADE-DYXWJJEUSA-N 2 2 395.576 3.866 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccc4ncsc4c3)CC[C@@H]21 ZINC001232740043 1038527507 /nfs/dbraw/zinc/52/75/07/1038527507.db2.gz JVIRXJGEUXGADE-DYXWJJEUSA-N 2 2 395.576 3.866 20 0 GHADLP C[N@H+](Cc1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2)C1CC[NH+](C)CC1 ZINC001232764680 1038540009 /nfs/dbraw/zinc/54/00/09/1038540009.db2.gz GHGNMIJMSUTJOK-UHFFFAOYSA-N 2 2 379.570 3.567 20 0 GHADLP C[N@@H+](Cc1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2)C1CC[NH+](C)CC1 ZINC001232764680 1038540017 /nfs/dbraw/zinc/54/00/17/1038540017.db2.gz GHGNMIJMSUTJOK-UHFFFAOYSA-N 2 2 379.570 3.567 20 0 GHADLP CC(C)(O)c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC001232828084 1038580826 /nfs/dbraw/zinc/58/08/26/1038580826.db2.gz YIHWZTNWMSEGTC-XMMPIXPASA-N 2 2 379.548 3.797 20 0 GHADLP CC(C)(O)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC001232828084 1038580835 /nfs/dbraw/zinc/58/08/35/1038580835.db2.gz YIHWZTNWMSEGTC-XMMPIXPASA-N 2 2 379.548 3.797 20 0 GHADLP CC(C)(O)c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC001232828084 1038580844 /nfs/dbraw/zinc/58/08/44/1038580844.db2.gz YIHWZTNWMSEGTC-XMMPIXPASA-N 2 2 379.548 3.797 20 0 GHADLP CC(C)(O)c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC001232828084 1038580852 /nfs/dbraw/zinc/58/08/52/1038580852.db2.gz YIHWZTNWMSEGTC-XMMPIXPASA-N 2 2 379.548 3.797 20 0 GHADLP Brc1cc2[nH]cc(C[NH+]3CCC([NH+]4CCCCC4)CC3)c2cn1 ZINC001232858217 1038607336 /nfs/dbraw/zinc/60/73/36/1038607336.db2.gz CZCCIEXFUZFRBB-UHFFFAOYSA-N 2 2 377.330 3.776 20 0 GHADLP Clc1sccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001233057076 1038820490 /nfs/dbraw/zinc/82/04/90/1038820490.db2.gz KYNSTCXSRQXBPC-SJLPKXTDSA-N 2 2 377.941 3.519 20 0 GHADLP Clc1sccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001233057076 1038820514 /nfs/dbraw/zinc/82/05/14/1038820514.db2.gz KYNSTCXSRQXBPC-SJLPKXTDSA-N 2 2 377.941 3.519 20 0 GHADLP Clc1sccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001233057076 1038820531 /nfs/dbraw/zinc/82/05/31/1038820531.db2.gz KYNSTCXSRQXBPC-SJLPKXTDSA-N 2 2 377.941 3.519 20 0 GHADLP Clc1sccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001233057076 1038820556 /nfs/dbraw/zinc/82/05/56/1038820556.db2.gz KYNSTCXSRQXBPC-SJLPKXTDSA-N 2 2 377.941 3.519 20 0 GHADLP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)COc1cccc2ccccc21)c1ccccc1 ZINC001252394694 1038978298 /nfs/dbraw/zinc/97/82/98/1038978298.db2.gz QGYRUYDDXGVIKZ-GMAHTHKFSA-N 2 2 378.516 3.862 20 0 GHADLP Clc1ccc2cc(C[N@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccc2n1 ZINC001233443275 1039324610 /nfs/dbraw/zinc/32/46/10/1039324610.db2.gz YDYRNRUYOQMXAD-BGYRXZFFSA-N 2 2 378.907 3.847 20 0 GHADLP Clc1ccc2cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccc2n1 ZINC001233443275 1039324626 /nfs/dbraw/zinc/32/46/26/1039324626.db2.gz YDYRNRUYOQMXAD-BGYRXZFFSA-N 2 2 378.907 3.847 20 0 GHADLP Clc1ccc2cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccnc5)C[C@@H]4C3)ccc2n1 ZINC001233443275 1039324642 /nfs/dbraw/zinc/32/46/42/1039324642.db2.gz YDYRNRUYOQMXAD-BGYRXZFFSA-N 2 2 378.907 3.847 20 0 GHADLP Clc1ccc2cc(C[NH+]3C[C@@H]4C[N@H+](Cc5cccnc5)C[C@@H]4C3)ccc2n1 ZINC001233443275 1039324664 /nfs/dbraw/zinc/32/46/64/1039324664.db2.gz YDYRNRUYOQMXAD-BGYRXZFFSA-N 2 2 378.907 3.847 20 0 GHADLP CCC(CC)N(C[C@@H](O)C[NH+](CC)CC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001253188483 1039466766 /nfs/dbraw/zinc/46/67/66/1039466766.db2.gz ZNHRMEBVUULECX-DEOSSOPVSA-N 2 2 389.628 3.844 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC001254198175 1040048926 /nfs/dbraw/zinc/04/89/26/1040048926.db2.gz JCSLRCMLBSQYIA-QGZVFWFLSA-N 2 2 375.513 3.714 20 0 GHADLP c1ccc(N([C@H]2COC3(C2)CC[NH2+]CC3)C2CCc3ccccc3CC2)[nH+]c1 ZINC001254458644 1040244729 /nfs/dbraw/zinc/24/47/29/1040244729.db2.gz BDAGNNBMSISRGI-JOCHJYFZSA-N 2 2 377.532 3.747 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001254492443 1040275839 /nfs/dbraw/zinc/27/58/39/1040275839.db2.gz HELNYVXJPQQBBG-NRFANRHFSA-N 2 2 377.536 3.788 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001254492443 1040275854 /nfs/dbraw/zinc/27/58/54/1040275854.db2.gz HELNYVXJPQQBBG-NRFANRHFSA-N 2 2 377.536 3.788 20 0 GHADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)[C@@](C)(CO)C1 ZINC001235027628 1040519014 /nfs/dbraw/zinc/51/90/14/1040519014.db2.gz NCVJMNXFZBVESU-GOSISDBHSA-N 2 2 378.314 3.618 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)[C@@](C)(CO)C1 ZINC001235027628 1040519035 /nfs/dbraw/zinc/51/90/35/1040519035.db2.gz NCVJMNXFZBVESU-GOSISDBHSA-N 2 2 378.314 3.618 20 0 GHADLP Brc1cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)ccc1-n1cc[nH+]c1 ZINC001235034204 1040525947 /nfs/dbraw/zinc/52/59/47/1040525947.db2.gz JPYOILUEWLAWLQ-SFHVURJKSA-N 2 2 376.298 3.637 20 0 GHADLP Brc1cc(C[N@H+]2CC[C@]3(C2)CCCOC3)ccc1-n1cc[nH+]c1 ZINC001235034204 1040525964 /nfs/dbraw/zinc/52/59/64/1040525964.db2.gz JPYOILUEWLAWLQ-SFHVURJKSA-N 2 2 376.298 3.637 20 0 GHADLP Cc1nc(C[NH+]2CCC3(CC2)C[NH2+]Cc2ccccc23)c(Br)s1 ZINC001235089102 1040578469 /nfs/dbraw/zinc/57/84/69/1040578469.db2.gz CDJJCAUREMDEBC-UHFFFAOYSA-N 2 2 392.366 3.851 20 0 GHADLP CC(C)(C)OC(=O)N1c2ccccc2CC[C@H]1C[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254842593 1040586757 /nfs/dbraw/zinc/58/67/57/1040586757.db2.gz FJGZIRPUSCEKNG-UXHICEINSA-N 2 2 385.552 3.817 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CCC[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)CC1 ZINC001254853370 1040596167 /nfs/dbraw/zinc/59/61/67/1040596167.db2.gz OBIITFVNMBFNGN-IBGZPJMESA-N 2 2 377.573 3.584 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CCC[N@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)CC1 ZINC001254853370 1040596180 /nfs/dbraw/zinc/59/61/80/1040596180.db2.gz OBIITFVNMBFNGN-IBGZPJMESA-N 2 2 377.573 3.584 20 0 GHADLP CC(C)CN1c2ccccc2C2(CC[NH+]([C@@H]3CC4CC[NH+](CC4)C3)CC2)CC1=O ZINC001254861291 1040606345 /nfs/dbraw/zinc/60/63/45/1040606345.db2.gz FUMPODXYWQZKJI-OAQYLSRUSA-N 2 2 395.591 3.897 20 0 GHADLP Clc1ccccc1-c1ccccc1C[N@@H+]1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001235197591 1040687543 /nfs/dbraw/zinc/68/75/43/1040687543.db2.gz ANUSWPAFNKLOPS-QFIPXVFZSA-N 2 2 386.923 3.588 20 0 GHADLP Clc1ccccc1-c1ccccc1C[N@H+]1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001235197591 1040687550 /nfs/dbraw/zinc/68/75/50/1040687550.db2.gz ANUSWPAFNKLOPS-QFIPXVFZSA-N 2 2 386.923 3.588 20 0 GHADLP COc1ccccc1C[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255099949 1040782778 /nfs/dbraw/zinc/78/27/78/1040782778.db2.gz NLEZUQYAVYWBQK-HSZRJFAPSA-N 2 2 379.548 3.524 20 0 GHADLP COc1ccccc1C[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255099949 1040782787 /nfs/dbraw/zinc/78/27/87/1040782787.db2.gz NLEZUQYAVYWBQK-HSZRJFAPSA-N 2 2 379.548 3.524 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)C2)cc1 ZINC001235365366 1040857316 /nfs/dbraw/zinc/85/73/16/1040857316.db2.gz NYCBWAFWIRKCSK-SKBVVQJISA-N 3 2 389.587 3.762 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)C2)cc1 ZINC001235365366 1040857322 /nfs/dbraw/zinc/85/73/22/1040857322.db2.gz NYCBWAFWIRKCSK-SKBVVQJISA-N 3 2 389.587 3.762 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)C2)cc1 ZINC001235365366 1040857327 /nfs/dbraw/zinc/85/73/27/1040857327.db2.gz NYCBWAFWIRKCSK-SKBVVQJISA-N 3 2 389.587 3.762 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)C2)cc1 ZINC001235365366 1040857345 /nfs/dbraw/zinc/85/73/45/1040857345.db2.gz NYCBWAFWIRKCSK-SKBVVQJISA-N 3 2 389.587 3.762 20 0 GHADLP CC(C)Sc1nccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)n1 ZINC001235379070 1040895391 /nfs/dbraw/zinc/89/53/91/1040895391.db2.gz GEIRAWXLVAKNCE-DENIHFKCSA-N 2 2 382.577 3.730 20 0 GHADLP CC(C)Sc1nccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)n1 ZINC001235379070 1040895418 /nfs/dbraw/zinc/89/54/18/1040895418.db2.gz GEIRAWXLVAKNCE-DENIHFKCSA-N 2 2 382.577 3.730 20 0 GHADLP CCOC(=O)c1ccccc1C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235382022 1040902187 /nfs/dbraw/zinc/90/21/87/1040902187.db2.gz MBNXSTNMUJWXHS-XUZZJYLKSA-N 2 2 378.516 3.617 20 0 GHADLP CCOC(=O)c1ccccc1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235382022 1040902195 /nfs/dbraw/zinc/90/21/95/1040902195.db2.gz MBNXSTNMUJWXHS-XUZZJYLKSA-N 2 2 378.516 3.617 20 0 GHADLP Cc1ccc(Br)c(C[N@@H+]2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)c1Cl ZINC001235409064 1040919912 /nfs/dbraw/zinc/91/99/12/1040919912.db2.gz VTBNCSGPKGKEDR-WCQYABFASA-N 2 2 375.713 3.920 20 0 GHADLP Cc1ccc(Br)c(C[N@H+]2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)c1Cl ZINC001235409064 1040919916 /nfs/dbraw/zinc/91/99/16/1040919916.db2.gz VTBNCSGPKGKEDR-WCQYABFASA-N 2 2 375.713 3.920 20 0 GHADLP CCCC[C@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001255321020 1040946166 /nfs/dbraw/zinc/94/61/66/1040946166.db2.gz WIFRUJHZIHCNBF-KXBFYZLASA-N 2 2 396.491 3.558 20 0 GHADLP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@@H]2CCC[NH+](Cc3ccccc3)CC2)cc1 ZINC001255390347 1040978497 /nfs/dbraw/zinc/97/84/97/1040978497.db2.gz BBQAKTFUHHVBSJ-NGSHPTGOSA-N 3 2 375.560 3.761 20 0 GHADLP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@@H]2CCC[NH+](Cc3ccccc3)CC2)cc1 ZINC001255390347 1040978498 /nfs/dbraw/zinc/97/84/98/1040978498.db2.gz BBQAKTFUHHVBSJ-NGSHPTGOSA-N 3 2 375.560 3.761 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255390347 1040978501 /nfs/dbraw/zinc/97/85/01/1040978501.db2.gz BBQAKTFUHHVBSJ-NGSHPTGOSA-N 3 2 375.560 3.761 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255390347 1040978509 /nfs/dbraw/zinc/97/85/09/1040978509.db2.gz BBQAKTFUHHVBSJ-NGSHPTGOSA-N 3 2 375.560 3.761 20 0 GHADLP COc1cccc(C[N@@H+]2CC[C@H](N[C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC001255391440 1040979323 /nfs/dbraw/zinc/97/93/23/1040979323.db2.gz PWBGFYYYVRPYEQ-ZEQRLZLVSA-N 2 2 393.575 3.914 20 0 GHADLP COc1cccc(C[N@H+]2CC[C@H](N[C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC001255391440 1040979325 /nfs/dbraw/zinc/97/93/25/1040979325.db2.gz PWBGFYYYVRPYEQ-ZEQRLZLVSA-N 2 2 393.575 3.914 20 0 GHADLP COc1cccc(C[NH+]2CC[C@H](N[C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)c1 ZINC001255391440 1040979327 /nfs/dbraw/zinc/97/93/27/1040979327.db2.gz PWBGFYYYVRPYEQ-ZEQRLZLVSA-N 2 2 393.575 3.914 20 0 GHADLP COc1cccc(C[NH+]2CC[C@H](N[C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)c1 ZINC001255391440 1040979328 /nfs/dbraw/zinc/97/93/28/1040979328.db2.gz PWBGFYYYVRPYEQ-ZEQRLZLVSA-N 2 2 393.575 3.914 20 0 GHADLP CCOc1ccc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)cc1Cl ZINC001235559361 1040987651 /nfs/dbraw/zinc/98/76/51/1040987651.db2.gz ZBHWYRADCHWCLX-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP CCOc1ccc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)cc1Cl ZINC001235559361 1040987654 /nfs/dbraw/zinc/98/76/54/1040987654.db2.gz ZBHWYRADCHWCLX-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP Clc1ccnc(N2CC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255406956 1040993695 /nfs/dbraw/zinc/99/36/95/1040993695.db2.gz VDDAYQVNMBUSRG-NRFANRHFSA-N 2 2 384.955 3.912 20 0 GHADLP Clc1ccnc(N2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255406956 1040993696 /nfs/dbraw/zinc/99/36/96/1040993696.db2.gz VDDAYQVNMBUSRG-NRFANRHFSA-N 2 2 384.955 3.912 20 0 GHADLP COc1ccc(Cl)c(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c1 ZINC001235646035 1041084651 /nfs/dbraw/zinc/08/46/51/1041084651.db2.gz NALOEQGCFYFGNB-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP COc1ccc(Cl)c(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c1 ZINC001235646035 1041084679 /nfs/dbraw/zinc/08/46/79/1041084679.db2.gz NALOEQGCFYFGNB-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP COc1cc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c(OC)cc1C ZINC001235649914 1041092760 /nfs/dbraw/zinc/09/27/60/1041092760.db2.gz WCAHQZSFPMGGES-UHFFFAOYSA-N 2 2 398.551 3.647 20 0 GHADLP COc1cc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c(OC)cc1C ZINC001235649914 1041092783 /nfs/dbraw/zinc/09/27/83/1041092783.db2.gz WCAHQZSFPMGGES-UHFFFAOYSA-N 2 2 398.551 3.647 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)C1 ZINC001255592880 1041152970 /nfs/dbraw/zinc/15/29/70/1041152970.db2.gz IWACIAZHNIMMCI-KRWDZBQOSA-N 2 2 379.932 3.599 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC001235691273 1041162896 /nfs/dbraw/zinc/16/28/96/1041162896.db2.gz OCWMNJURSLTEDA-CZUORRHYSA-N 2 2 392.321 3.602 20 0 GHADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](C2CCC4(CC2)OCCO4)CC3)cs1 ZINC001255625481 1041177472 /nfs/dbraw/zinc/17/74/72/1041177472.db2.gz AWJDJEPVUSRZBJ-UHFFFAOYSA-N 2 2 391.581 3.568 20 0 GHADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](C2CCC4(CC2)OCCO4)CC3)cs1 ZINC001255625481 1041177478 /nfs/dbraw/zinc/17/74/78/1041177478.db2.gz AWJDJEPVUSRZBJ-UHFFFAOYSA-N 2 2 391.581 3.568 20 0 GHADLP FC(F)(F)[C@H]1CCC[C@H]([NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)C1 ZINC001255712504 1041236893 /nfs/dbraw/zinc/23/68/93/1041236893.db2.gz ACAAGVWRFDURPK-IRXDYDNUSA-N 2 2 383.458 3.874 20 0 GHADLP CC1([NH+]2CCN(Cc3ccc(-c4ccc(Cl)cc4)nc3)CC2)CC[NH2+]CC1 ZINC001235821890 1041338679 /nfs/dbraw/zinc/33/86/79/1041338679.db2.gz NIMRYFSBQIUAJD-UHFFFAOYSA-N 2 2 384.955 3.662 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001255961397 1041439808 /nfs/dbraw/zinc/43/98/08/1041439808.db2.gz DAKKNTGPHVQMJM-GGAORHGYSA-N 3 2 387.612 3.862 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001255961397 1041439810 /nfs/dbraw/zinc/43/98/10/1041439810.db2.gz DAKKNTGPHVQMJM-GGAORHGYSA-N 3 2 387.612 3.862 20 0 GHADLP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cn(Cc3ccc(Cl)nc3)c3ccccc13)C2 ZINC001235960321 1041466323 /nfs/dbraw/zinc/46/63/23/1041466323.db2.gz TYJAZWNPOXHSAU-FAQVEIGNSA-N 2 2 380.923 3.907 20 0 GHADLP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cn(Cc3ccc(Cl)nc3)c3ccccc13)C2 ZINC001235960321 1041466333 /nfs/dbraw/zinc/46/63/33/1041466333.db2.gz TYJAZWNPOXHSAU-FAQVEIGNSA-N 2 2 380.923 3.907 20 0 GHADLP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(Br)cc1N1CCCCC1)C2 ZINC001235959234 1041466744 /nfs/dbraw/zinc/46/67/44/1041466744.db2.gz JJKGIALXKNCESR-HGKCTWBKSA-N 2 2 378.358 3.609 20 0 GHADLP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(Br)cc1N1CCCCC1)C2 ZINC001235959234 1041466750 /nfs/dbraw/zinc/46/67/50/1041466750.db2.gz JJKGIALXKNCESR-HGKCTWBKSA-N 2 2 378.358 3.609 20 0 GHADLP FC(F)(F)c1cccc(Oc2cccc(C[NH+]3CC(N4CC[NH2+]CC4)C3)c2)c1 ZINC001236161866 1041582803 /nfs/dbraw/zinc/58/28/03/1041582803.db2.gz SWMFHGBVBSLJQQ-UHFFFAOYSA-N 2 2 391.437 3.587 20 0 GHADLP FC(F)(F)c1ccc(-c2ccc(C[NH+]3CC(N4CC[NH2+]CC4)C3)o2)c(Cl)c1 ZINC001236160818 1041583254 /nfs/dbraw/zinc/58/32/54/1041583254.db2.gz UDHYFHOPLFLAOR-UHFFFAOYSA-N 2 2 399.844 3.708 20 0 GHADLP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3cccc(OC)c3)CC2)c1 ZINC001256170634 1041615935 /nfs/dbraw/zinc/61/59/35/1041615935.db2.gz YKBOGIXPZRFNSA-GOSISDBHSA-N 2 2 396.531 3.667 20 0 GHADLP C[N@H+](Cc1ccc(Br)c(Br)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216879 1041625372 /nfs/dbraw/zinc/62/53/72/1041625372.db2.gz LVMIMTBZTSMDAA-KBPBESRZSA-N 2 2 376.136 3.913 20 0 GHADLP C[N@@H+](Cc1ccc(Br)c(Br)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216879 1041625384 /nfs/dbraw/zinc/62/53/84/1041625384.db2.gz LVMIMTBZTSMDAA-KBPBESRZSA-N 2 2 376.136 3.913 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@H+](C(C)C)[C@H]3CC[NH2+]C3)c2n1 ZINC001236528993 1041754297 /nfs/dbraw/zinc/75/42/97/1041754297.db2.gz LWDSVXZZJOCING-AWEZNQCLSA-N 2 2 378.314 3.578 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@@H+](C(C)C)[C@H]3CC[NH2+]C3)c2n1 ZINC001236528993 1041754303 /nfs/dbraw/zinc/75/43/03/1041754303.db2.gz LWDSVXZZJOCING-AWEZNQCLSA-N 2 2 378.314 3.578 20 0 GHADLP COc1cccc(Br)c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001236682632 1041828189 /nfs/dbraw/zinc/82/81/89/1041828189.db2.gz VISLOXKTJDONJH-AWEZNQCLSA-N 2 2 377.282 3.814 20 0 GHADLP COc1cccc(Br)c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001236682632 1041828197 /nfs/dbraw/zinc/82/81/97/1041828197.db2.gz VISLOXKTJDONJH-AWEZNQCLSA-N 2 2 377.282 3.814 20 0 GHADLP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2)Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001236690259 1041833971 /nfs/dbraw/zinc/83/39/71/1041833971.db2.gz OIYRSJDAZNHIID-SOAUALDESA-N 3 2 393.575 3.791 20 0 GHADLP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001236690259 1041833973 /nfs/dbraw/zinc/83/39/73/1041833973.db2.gz OIYRSJDAZNHIID-SOAUALDESA-N 3 2 393.575 3.791 20 0 GHADLP CC(=O)N1CCCCC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)CC2 ZINC001236924118 1041960918 /nfs/dbraw/zinc/96/09/18/1041960918.db2.gz YHRWPLFPLRWAOY-UHFFFAOYSA-N 2 2 386.927 3.893 20 0 GHADLP COC(=O)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@@H]1c1ccccc1 ZINC001236929154 1041962373 /nfs/dbraw/zinc/96/23/73/1041962373.db2.gz PBLIROJPHODRJX-UXHICEINSA-N 2 2 395.890 3.914 20 0 GHADLP COC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@@H]1c1ccccc1 ZINC001236929154 1041962375 /nfs/dbraw/zinc/96/23/75/1041962375.db2.gz PBLIROJPHODRJX-UXHICEINSA-N 2 2 395.890 3.914 20 0 GHADLP COCCC[N@H+](Cc1ccc(N(C)c2ccc(OC)cc2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236946843 1041967425 /nfs/dbraw/zinc/96/74/25/1041967425.db2.gz MVEBYGIMGAQTLS-JOCHJYFZSA-N 2 2 383.536 3.664 20 0 GHADLP COCCC[N@@H+](Cc1ccc(N(C)c2ccc(OC)cc2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236946843 1041967428 /nfs/dbraw/zinc/96/74/28/1041967428.db2.gz MVEBYGIMGAQTLS-JOCHJYFZSA-N 2 2 383.536 3.664 20 0 GHADLP FC(F)(F)[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001237014583 1041990888 /nfs/dbraw/zinc/99/08/88/1041990888.db2.gz FJZSAQUWUXRDDA-OAQYLSRUSA-N 2 2 389.465 3.581 20 0 GHADLP FC(F)(F)[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001237014583 1041990891 /nfs/dbraw/zinc/99/08/91/1041990891.db2.gz FJZSAQUWUXRDDA-OAQYLSRUSA-N 2 2 389.465 3.581 20 0 GHADLP COc1cccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1Cl ZINC001237189885 1042085879 /nfs/dbraw/zinc/08/58/79/1042085879.db2.gz DTVZRHFRFBAKPW-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1cccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1Cl ZINC001237189885 1042085885 /nfs/dbraw/zinc/08/58/85/1042085885.db2.gz DTVZRHFRFBAKPW-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c1Cl ZINC001237189885 1042085893 /nfs/dbraw/zinc/08/58/93/1042085893.db2.gz DTVZRHFRFBAKPW-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c1Cl ZINC001237189885 1042085902 /nfs/dbraw/zinc/08/59/02/1042085902.db2.gz DTVZRHFRFBAKPW-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP CCOC(=O)c1ccc2c(C[N@@H+]3Cc4ccccc4C34CC[NH2+]CC4)c[nH]c2c1 ZINC001237311472 1042139440 /nfs/dbraw/zinc/13/94/40/1042139440.db2.gz SFANPIOLMILXBX-UHFFFAOYSA-N 2 2 389.499 3.939 20 0 GHADLP CCOC(=O)c1ccc2c(C[N@H+]3Cc4ccccc4C34CC[NH2+]CC4)c[nH]c2c1 ZINC001237311472 1042139445 /nfs/dbraw/zinc/13/94/45/1042139445.db2.gz SFANPIOLMILXBX-UHFFFAOYSA-N 2 2 389.499 3.939 20 0 GHADLP COc1ccc2c(c1)[nH]nc2C[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001237385936 1042182489 /nfs/dbraw/zinc/18/24/89/1042182489.db2.gz OYHBPUFYBDZMOJ-UHFFFAOYSA-N 2 2 387.487 3.750 20 0 GHADLP COc1ccc2c(c1)n[nH]c2C[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001237385936 1042182494 /nfs/dbraw/zinc/18/24/94/1042182494.db2.gz OYHBPUFYBDZMOJ-UHFFFAOYSA-N 2 2 387.487 3.750 20 0 GHADLP CCOC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2Cl)CCC12C[NH2+]C2 ZINC001237430670 1042205755 /nfs/dbraw/zinc/20/57/55/1042205755.db2.gz LXIRXFGDPWPPKQ-ZDUSSCGKSA-N 2 2 391.726 3.621 20 0 GHADLP CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2Cl)CCC12C[NH2+]C2 ZINC001237430670 1042205761 /nfs/dbraw/zinc/20/57/61/1042205761.db2.gz LXIRXFGDPWPPKQ-ZDUSSCGKSA-N 2 2 391.726 3.621 20 0 GHADLP C[C@H]([NH2+]C(CCc1ccccc1)CCc1ccccc1)[C@@H]1C[N@H+](C)CCN1C ZINC001462596856 1070402098 /nfs/dbraw/zinc/40/20/98/1070402098.db2.gz SDIHWQLZFFRVJB-OFVILXPXSA-N 2 2 379.592 3.845 20 0 GHADLP C[C@H]([NH2+]C(CCc1ccccc1)CCc1ccccc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001462596856 1070402101 /nfs/dbraw/zinc/40/21/01/1070402101.db2.gz SDIHWQLZFFRVJB-OFVILXPXSA-N 2 2 379.592 3.845 20 0 GHADLP CC[N@H+](Cc1cc(Br)nc(Br)c1)C1CC[NH+](C)CC1 ZINC001237515582 1042245774 /nfs/dbraw/zinc/24/57/74/1042245774.db2.gz QDYLBLFZONIKIJ-UHFFFAOYSA-N 2 2 391.151 3.523 20 0 GHADLP CC[N@@H+](Cc1cc(Br)nc(Br)c1)C1CC[NH+](C)CC1 ZINC001237515582 1042245779 /nfs/dbraw/zinc/24/57/79/1042245779.db2.gz QDYLBLFZONIKIJ-UHFFFAOYSA-N 2 2 391.151 3.523 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cccc3c1OCC3)C2 ZINC001237749322 1042352400 /nfs/dbraw/zinc/35/24/00/1042352400.db2.gz WLYKWYPFWSAKMZ-UHFFFAOYSA-N 2 2 389.499 3.800 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cccc3c1OCC3)C2 ZINC001237749322 1042352405 /nfs/dbraw/zinc/35/24/05/1042352405.db2.gz WLYKWYPFWSAKMZ-UHFFFAOYSA-N 2 2 389.499 3.800 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1cccc3c1OCC3)C2 ZINC001237749322 1042352410 /nfs/dbraw/zinc/35/24/10/1042352410.db2.gz WLYKWYPFWSAKMZ-UHFFFAOYSA-N 2 2 389.499 3.800 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1cccc3c1OCC3)C2 ZINC001237749322 1042352415 /nfs/dbraw/zinc/35/24/15/1042352415.db2.gz WLYKWYPFWSAKMZ-UHFFFAOYSA-N 2 2 389.499 3.800 20 0 GHADLP CCOC(=O)COc1cccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001237909240 1042419034 /nfs/dbraw/zinc/41/90/34/1042419034.db2.gz PDFZSUHYMRTJLH-UHFFFAOYSA-N 2 2 396.531 3.725 20 0 GHADLP CCOC(=O)COc1cccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001237909240 1042419037 /nfs/dbraw/zinc/41/90/37/1042419037.db2.gz PDFZSUHYMRTJLH-UHFFFAOYSA-N 2 2 396.531 3.725 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1 ZINC001238108404 1042494601 /nfs/dbraw/zinc/49/46/01/1042494601.db2.gz VSYFBTSMGNSYEB-GHTZIAJQSA-N 2 2 388.487 3.505 20 0 GHADLP CC(C)Oc1cncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001238465233 1042605762 /nfs/dbraw/zinc/60/57/62/1042605762.db2.gz JBBCREMICCCKIV-ZTCOLXNVSA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1cncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001238465233 1042605765 /nfs/dbraw/zinc/60/57/65/1042605765.db2.gz JBBCREMICCCKIV-ZTCOLXNVSA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1cncc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001238465233 1042605771 /nfs/dbraw/zinc/60/57/71/1042605771.db2.gz JBBCREMICCCKIV-ZTCOLXNVSA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1cncc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001238465233 1042605775 /nfs/dbraw/zinc/60/57/75/1042605775.db2.gz JBBCREMICCCKIV-ZTCOLXNVSA-N 2 2 394.563 3.996 20 0 GHADLP Fc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1-c1ccncc1 ZINC001238563191 1042641551 /nfs/dbraw/zinc/64/15/51/1042641551.db2.gz ZMWUMRNRYJUFKY-SFTDATJTSA-N 2 2 388.490 3.847 20 0 GHADLP Cc1cc(F)cc(Cl)c1C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001238784355 1042726599 /nfs/dbraw/zinc/72/65/99/1042726599.db2.gz XPMAANCFJXXMBS-DYESRHJHSA-N 2 2 380.935 3.968 20 0 GHADLP Cc1cc(F)cc(Cl)c1C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001238784355 1042726603 /nfs/dbraw/zinc/72/66/03/1042726603.db2.gz XPMAANCFJXXMBS-DYESRHJHSA-N 2 2 380.935 3.968 20 0 GHADLP Cc1cc(F)cc(Cl)c1C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001238784355 1042726608 /nfs/dbraw/zinc/72/66/08/1042726608.db2.gz XPMAANCFJXXMBS-DYESRHJHSA-N 2 2 380.935 3.968 20 0 GHADLP Cc1cc(F)cc(Cl)c1C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001238784355 1042726613 /nfs/dbraw/zinc/72/66/13/1042726613.db2.gz XPMAANCFJXXMBS-DYESRHJHSA-N 2 2 380.935 3.968 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc(C(=O)NC3CCCCC3)cc2)C1 ZINC001239919030 1042863463 /nfs/dbraw/zinc/86/34/63/1042863463.db2.gz SDUNCXAECFIOSE-NRFANRHFSA-N 2 2 377.532 3.949 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(C(=O)NC3CCCCC3)cc2)C1 ZINC001239919030 1042863467 /nfs/dbraw/zinc/86/34/67/1042863467.db2.gz SDUNCXAECFIOSE-NRFANRHFSA-N 2 2 377.532 3.949 20 0 GHADLP CN1CC[NH+](Cc2ccc(-c3ccc([C@H]4CN5CCSC5=[NH+]4)cc3)cc2)CC1 ZINC001240408472 1042927004 /nfs/dbraw/zinc/92/70/04/1042927004.db2.gz LBCCLGZYNXBXIK-JOCHJYFZSA-N 2 2 392.572 3.561 20 0 GHADLP c1cc(-c2ccc(SC3CC[NH2+]CC3)cc2)ccc1OCC[NH+]1CCOCC1 ZINC001240453114 1042931361 /nfs/dbraw/zinc/93/13/61/1042931361.db2.gz RNWUERIHZURUTB-UHFFFAOYSA-N 2 2 398.572 3.909 20 0 GHADLP CCOC(=O)c1ccc(CNc2[nH+]c3ccccc3n2CC[NH+](CC)CC)o1 ZINC001462686750 1070470574 /nfs/dbraw/zinc/47/05/74/1070470574.db2.gz FGUSEWBOXXBXJO-UHFFFAOYSA-N 2 2 384.480 3.760 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530923 1043465322 /nfs/dbraw/zinc/46/53/22/1043465322.db2.gz FWSPVBFHPIKZGG-HYBUGGRVSA-N 3 2 385.596 3.520 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530923 1043465326 /nfs/dbraw/zinc/46/53/26/1043465326.db2.gz FWSPVBFHPIKZGG-HYBUGGRVSA-N 3 2 385.596 3.520 20 0 GHADLP COC(=O)c1ccc(C2C[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)cc1 ZINC001256552879 1043518511 /nfs/dbraw/zinc/51/85/11/1043518511.db2.gz CXTYWCKQWMMKFQ-JPYJTQIMSA-N 2 2 378.516 3.926 20 0 GHADLP COC(=O)c1ccc(C2C[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)cc1 ZINC001256552879 1043518517 /nfs/dbraw/zinc/51/85/17/1043518517.db2.gz CXTYWCKQWMMKFQ-JPYJTQIMSA-N 2 2 378.516 3.926 20 0 GHADLP C[C@@H]1C[C@@H](N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256553611 1043520054 /nfs/dbraw/zinc/52/00/54/1043520054.db2.gz HIGCBSHIZLWTCK-HLAWJBBLSA-N 2 2 377.523 3.845 20 0 GHADLP C[C@@H]1C[C@@H](N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256553611 1043520065 /nfs/dbraw/zinc/52/00/65/1043520065.db2.gz HIGCBSHIZLWTCK-HLAWJBBLSA-N 2 2 377.523 3.845 20 0 GHADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001256571399 1043543929 /nfs/dbraw/zinc/54/39/29/1043543929.db2.gz YPIXNBSDWPVJRV-OAQYLSRUSA-N 2 2 375.582 3.830 20 0 GHADLP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001256571399 1043543938 /nfs/dbraw/zinc/54/39/38/1043543938.db2.gz YPIXNBSDWPVJRV-OAQYLSRUSA-N 2 2 375.582 3.830 20 0 GHADLP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(Br)c1 ZINC001256600261 1043564754 /nfs/dbraw/zinc/56/47/54/1043564754.db2.gz OVKIWVSTFRYWDH-HXUWFJFHSA-N 2 2 389.337 3.737 20 0 GHADLP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](C2C[C@H]4CC[C@@H](C2)[N@H+]4C)CC3)c1 ZINC001256624976 1043581383 /nfs/dbraw/zinc/58/13/83/1043581383.db2.gz ZEQZWYODJKFAQR-AIZNXBIQSA-N 3 2 397.607 3.998 20 0 GHADLP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](C2C[C@H]4CC[C@@H](C2)[N@@H+]4C)CC3)c1 ZINC001256624976 1043581390 /nfs/dbraw/zinc/58/13/90/1043581390.db2.gz ZEQZWYODJKFAQR-AIZNXBIQSA-N 3 2 397.607 3.998 20 0 GHADLP c1ccc([C@@H]2C[C@H](N(c3cccc[nH+]3)[C@@H]3COC4(C3)CC[NH2+]CC4)CCO2)cc1 ZINC001256813738 1043669987 /nfs/dbraw/zinc/66/99/87/1043669987.db2.gz LKEFGCJLOBOGEE-FSSWDIPSSA-N 2 2 393.531 3.719 20 0 GHADLP O=c1cccc(C[NH+]2CC3(C2)CC[NH+](Cc2cc(F)ccc2Cl)CC3)[nH]1 ZINC001278968503 1043698301 /nfs/dbraw/zinc/69/83/01/1043698301.db2.gz LAVXDJHPYNCOHN-UHFFFAOYSA-N 2 2 375.875 3.678 20 0 GHADLP CCC1CCC([N@@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)CC1 ZINC001256873570 1043713978 /nfs/dbraw/zinc/71/39/78/1043713978.db2.gz PTAHVZDXZJZFGM-APDGNVHQSA-N 2 2 377.598 3.943 20 0 GHADLP CCC1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)CC1 ZINC001256873570 1043713987 /nfs/dbraw/zinc/71/39/87/1043713987.db2.gz PTAHVZDXZJZFGM-APDGNVHQSA-N 2 2 377.598 3.943 20 0 GHADLP CCC1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4csc(C)n4)CCO[C@@H]3C2)CC1 ZINC001256873570 1043713999 /nfs/dbraw/zinc/71/39/99/1043713999.db2.gz PTAHVZDXZJZFGM-APDGNVHQSA-N 2 2 377.598 3.943 20 0 GHADLP CCC1CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4csc(C)n4)CCO[C@@H]3C2)CC1 ZINC001256873570 1043714006 /nfs/dbraw/zinc/71/40/06/1043714006.db2.gz PTAHVZDXZJZFGM-APDGNVHQSA-N 2 2 377.598 3.943 20 0 GHADLP O=C(c1c[nH+]ccc1Nc1ccccc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001292850075 1043913448 /nfs/dbraw/zinc/91/34/48/1043913448.db2.gz DCKARMRAPCRXES-FQEVSTJZSA-N 2 2 392.547 3.975 20 0 GHADLP CC(C)[C@@H]1C[C@@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CCN1C(=O)OC(C)(C)C ZINC001257206470 1043936748 /nfs/dbraw/zinc/93/67/48/1043936748.db2.gz UEUBMZDPFMSUSE-SQNIBIBYSA-N 2 2 376.545 3.947 20 0 GHADLP CCCCOC(=O)CC[C@H](C)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001257378810 1043975509 /nfs/dbraw/zinc/97/55/09/1043975509.db2.gz LMZPENVVEQDQFP-HNNXBMFYSA-N 2 2 387.615 3.540 20 0 GHADLP CCCCOC(=O)CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001257384918 1043978361 /nfs/dbraw/zinc/97/83/61/1043978361.db2.gz CNRCZAZCEAVBLW-SFHVURJKSA-N 2 2 376.541 3.761 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257571565 1044059130 /nfs/dbraw/zinc/05/91/30/1044059130.db2.gz LCDYDOIAFBXZDZ-RMFSNUHRSA-N 2 2 387.568 3.885 20 0 GHADLP Cc1[nH+]cn(C2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1CSCC[NH3+] ZINC001257576382 1044061789 /nfs/dbraw/zinc/06/17/89/1044061789.db2.gz QNTPWITVDYBZCT-KBPBESRZSA-N 2 2 382.574 3.732 20 0 GHADLP CC(C)C[NH+]1CCC([NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)CC1 ZINC001258012181 1044339380 /nfs/dbraw/zinc/33/93/80/1044339380.db2.gz QBNDDVITBLSYHZ-UHFFFAOYSA-N 3 2 391.625 3.535 20 0 GHADLP CC(C)C[NH+]1CCC([NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)CC1 ZINC001258012181 1044339399 /nfs/dbraw/zinc/33/93/99/1044339399.db2.gz QBNDDVITBLSYHZ-UHFFFAOYSA-N 3 2 391.625 3.535 20 0 GHADLP CCC1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC001258135153 1044419725 /nfs/dbraw/zinc/41/97/25/1044419725.db2.gz PAOUTAIQMURXFX-UHFFFAOYSA-N 2 2 387.568 3.683 20 0 GHADLP COc1cc2c(cc1OC)C[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001258146435 1044435124 /nfs/dbraw/zinc/43/51/24/1044435124.db2.gz XNXXBMYDOKHHGE-UHFFFAOYSA-N 2 2 380.532 3.769 20 0 GHADLP COc1cc2c(cc1OC)C[N@H+](C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001258146435 1044435136 /nfs/dbraw/zinc/43/51/36/1044435136.db2.gz XNXXBMYDOKHHGE-UHFFFAOYSA-N 2 2 380.532 3.769 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2OC)cc1 ZINC001258397130 1044534794 /nfs/dbraw/zinc/53/47/94/1044534794.db2.gz GKHGXFPIQDNSRP-IEXUWNMDSA-N 2 2 382.548 3.895 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2OC)cc1 ZINC001258397130 1044534810 /nfs/dbraw/zinc/53/48/10/1044534810.db2.gz GKHGXFPIQDNSRP-IEXUWNMDSA-N 2 2 382.548 3.895 20 0 GHADLP c1ccc(N2CCC([NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)CC2)cc1 ZINC001258515924 1044592793 /nfs/dbraw/zinc/59/27/93/1044592793.db2.gz LOXIIEQGEOQIRK-YADHBBJMSA-N 2 2 376.548 3.504 20 0 GHADLP c1ccc(N2CCC([NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)CC2)cc1 ZINC001258515924 1044592806 /nfs/dbraw/zinc/59/28/06/1044592806.db2.gz LOXIIEQGEOQIRK-YADHBBJMSA-N 2 2 376.548 3.504 20 0 GHADLP c1ccc(N2CCC([N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)CC2)cc1 ZINC001258515924 1044592822 /nfs/dbraw/zinc/59/28/22/1044592822.db2.gz LOXIIEQGEOQIRK-YADHBBJMSA-N 2 2 376.548 3.504 20 0 GHADLP c1ccc(N2CCC([N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)CC2)cc1 ZINC001258515924 1044592836 /nfs/dbraw/zinc/59/28/36/1044592836.db2.gz LOXIIEQGEOQIRK-YADHBBJMSA-N 2 2 376.548 3.504 20 0 GHADLP Clc1ccccc1N1CCC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001258536064 1044614066 /nfs/dbraw/zinc/61/40/66/1044614066.db2.gz SKVALQNZHGEIBF-UHFFFAOYSA-N 2 2 399.966 3.931 20 0 GHADLP CCCC[C@@H](Cc1ccccc1)[NH2+]C1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001258708242 1044724816 /nfs/dbraw/zinc/72/48/16/1044724816.db2.gz TWQKKASZHYKLMY-QHCPKHFHSA-N 2 2 393.575 3.898 20 0 GHADLP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001258711972 1044729326 /nfs/dbraw/zinc/72/93/26/1044729326.db2.gz NZFGLKKYOPMYLN-FQEVSTJZSA-N 2 2 378.524 3.530 20 0 GHADLP CCCC[C@@H](Cc1ccccc1)[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001258711972 1044729341 /nfs/dbraw/zinc/72/93/41/1044729341.db2.gz NZFGLKKYOPMYLN-FQEVSTJZSA-N 2 2 378.524 3.530 20 0 GHADLP COc1cc(C[C@@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc(OC)c1OC ZINC001258877482 1044824796 /nfs/dbraw/zinc/82/47/96/1044824796.db2.gz WLHUNNMXNUJSDI-AEFFLSMTSA-N 2 2 386.492 3.500 20 0 GHADLP COc1cc(C[C@@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc(OC)c1OC ZINC001258877482 1044824817 /nfs/dbraw/zinc/82/48/17/1044824817.db2.gz WLHUNNMXNUJSDI-AEFFLSMTSA-N 2 2 386.492 3.500 20 0 GHADLP C[NH2+][C@@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2C)C1)c1cccc(Cl)c1Cl ZINC000662448917 1045142835 /nfs/dbraw/zinc/14/28/35/1045142835.db2.gz RAIAVXARJUFEHR-CXAGYDPISA-N 2 2 381.307 3.623 20 0 GHADLP C[NH2+][C@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2C)C1)c1cccc(Cl)c1Cl ZINC000662448919 1045143173 /nfs/dbraw/zinc/14/31/73/1045143173.db2.gz RAIAVXARJUFEHR-DYVFJYSZSA-N 2 2 381.307 3.623 20 0 GHADLP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001300921128 1046243325 /nfs/dbraw/zinc/24/33/25/1046243325.db2.gz ORYAVQIBGPXFMF-FCHUYYIVSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001300921128 1046243337 /nfs/dbraw/zinc/24/33/37/1046243337.db2.gz ORYAVQIBGPXFMF-FCHUYYIVSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001300921128 1046243348 /nfs/dbraw/zinc/24/33/48/1046243348.db2.gz ORYAVQIBGPXFMF-FCHUYYIVSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001300921128 1046243351 /nfs/dbraw/zinc/24/33/51/1046243351.db2.gz ORYAVQIBGPXFMF-FCHUYYIVSA-N 2 2 387.543 3.703 20 0 GHADLP COc1ccccc1-c1nn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(=S)o1 ZINC001262482584 1046260733 /nfs/dbraw/zinc/26/07/33/1046260733.db2.gz GZGGJKFHAPIVAM-HRCADAONSA-N 2 2 388.537 3.501 20 0 GHADLP COc1ccccc1-c1nn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(=S)o1 ZINC001262482584 1046260741 /nfs/dbraw/zinc/26/07/41/1046260741.db2.gz GZGGJKFHAPIVAM-HRCADAONSA-N 2 2 388.537 3.501 20 0 GHADLP C[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC001302316812 1046907676 /nfs/dbraw/zinc/90/76/76/1046907676.db2.gz KBXRUNRCQSPUTP-AWEZNQCLSA-N 2 2 392.425 3.594 20 0 GHADLP CCOC(=O)CCCCCC[NH+]1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001279261666 1047751042 /nfs/dbraw/zinc/75/10/42/1047751042.db2.gz ZAGNSWTWTXMPAQ-UHFFFAOYSA-N 2 2 378.479 3.850 20 0 GHADLP CCOC(=O)CCCCCC[NH+]1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001279261666 1047751046 /nfs/dbraw/zinc/75/10/46/1047751046.db2.gz ZAGNSWTWTXMPAQ-UHFFFAOYSA-N 2 2 378.479 3.850 20 0 GHADLP COc1cc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c(F)cc1Cl ZINC001279298353 1047759216 /nfs/dbraw/zinc/75/92/16/1047759216.db2.gz VUISLVJXWUZQKR-UHFFFAOYSA-N 2 2 377.891 3.914 20 0 GHADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cncc(Br)c1)Cc1ccccc12 ZINC001279384277 1047788379 /nfs/dbraw/zinc/78/83/79/1047788379.db2.gz AWFBRVQZKPNCIH-UHFFFAOYSA-N 2 2 386.337 3.823 20 0 GHADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cncc(Br)c1)Cc1ccccc12 ZINC001279384277 1047788383 /nfs/dbraw/zinc/78/83/83/1047788383.db2.gz AWFBRVQZKPNCIH-UHFFFAOYSA-N 2 2 386.337 3.823 20 0 GHADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(F)c(Cl)ccc1C(F)(F)F)C2 ZINC001279442404 1047809422 /nfs/dbraw/zinc/80/94/22/1047809422.db2.gz PYTBEYXATUFQNH-OLZOCXBDSA-N 2 2 393.856 3.566 20 0 GHADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(F)c(Cl)ccc1C(F)(F)F)C2 ZINC001279442404 1047809432 /nfs/dbraw/zinc/80/94/32/1047809432.db2.gz PYTBEYXATUFQNH-OLZOCXBDSA-N 2 2 393.856 3.566 20 0 GHADLP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(Cl)ccc(C)c3F)(C1)CCC2 ZINC001279447080 1047811421 /nfs/dbraw/zinc/81/14/21/1047811421.db2.gz HVAXLOPNHBKGSH-UXHICEINSA-N 2 2 384.923 3.933 20 0 GHADLP C[N@H+]1CC[C@H]2C[NH+](Cc3c(F)cc(Br)c(F)c3F)C[C@H]2CC1 ZINC001279693265 1047918817 /nfs/dbraw/zinc/91/88/17/1047918817.db2.gz FUYQSUCVZQTNJT-PHIMTYICSA-N 2 2 377.248 3.640 20 0 GHADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3c(F)cc(Br)c(F)c3F)C[C@H]2CC1 ZINC001279693265 1047918818 /nfs/dbraw/zinc/91/88/18/1047918818.db2.gz FUYQSUCVZQTNJT-PHIMTYICSA-N 2 2 377.248 3.640 20 0 GHADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(F)cc(Br)c(F)c3F)C[C@H]2CC1 ZINC001279693265 1047918825 /nfs/dbraw/zinc/91/88/25/1047918825.db2.gz FUYQSUCVZQTNJT-PHIMTYICSA-N 2 2 377.248 3.640 20 0 GHADLP C[NH+]1CC[C@H]2C[N@H+](Cc3c(F)cc(Br)c(F)c3F)C[C@H]2CC1 ZINC001279693265 1047918830 /nfs/dbraw/zinc/91/88/30/1047918830.db2.gz FUYQSUCVZQTNJT-PHIMTYICSA-N 2 2 377.248 3.640 20 0 GHADLP CCc1c[nH]c2nc[nH+]c(N[C@H](CC)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)c12 ZINC001306991941 1048995565 /nfs/dbraw/zinc/99/55/65/1048995565.db2.gz MFJGRKSIUHUBIF-MOPGFXCFSA-N 2 2 379.508 3.612 20 0 GHADLP CCc1c[nH]c2nc[nH+]c(N[C@H](CC)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)c12 ZINC001306991941 1048995566 /nfs/dbraw/zinc/99/55/66/1048995566.db2.gz MFJGRKSIUHUBIF-MOPGFXCFSA-N 2 2 379.508 3.612 20 0 GHADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC001307437789 1049275414 /nfs/dbraw/zinc/27/54/14/1049275414.db2.gz BHYMIWMJWDJFSA-XMMPIXPASA-N 2 2 392.591 3.857 20 0 GHADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC001307437789 1049275429 /nfs/dbraw/zinc/27/54/29/1049275429.db2.gz BHYMIWMJWDJFSA-XMMPIXPASA-N 2 2 392.591 3.857 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+](CC3CC3)C3CCC3)CC2)cc1 ZINC001307721095 1049534224 /nfs/dbraw/zinc/53/42/24/1049534224.db2.gz KYRUQWSPYBMIBH-UHFFFAOYSA-N 2 2 383.580 3.719 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+](CC3CC3)C3CCC3)CC2)cc1 ZINC001307721095 1049534236 /nfs/dbraw/zinc/53/42/36/1049534236.db2.gz KYRUQWSPYBMIBH-UHFFFAOYSA-N 2 2 383.580 3.719 20 0 GHADLP OCC[C@@H]([NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1ccccc1 ZINC001308275231 1049934444 /nfs/dbraw/zinc/93/44/44/1049934444.db2.gz DSFLIRZELVRKGV-HXUWFJFHSA-N 2 2 385.895 3.829 20 0 GHADLP CC[C@H]([NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)C1CCOCC1 ZINC001308300629 1049942693 /nfs/dbraw/zinc/94/26/93/1049942693.db2.gz RIKOJOLGTLBHEC-IBGZPJMESA-N 2 2 377.916 3.910 20 0 GHADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCC[NH+]1CCC1 ZINC001308359143 1049958178 /nfs/dbraw/zinc/95/81/78/1049958178.db2.gz UQUNQNXSBCCBRI-UHFFFAOYSA-N 2 2 391.357 3.944 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC001308467335 1049983113 /nfs/dbraw/zinc/98/31/13/1049983113.db2.gz ZKIJEVHGDVXWQF-HSZRJFAPSA-N 3 2 384.612 3.715 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001308467335 1049983115 /nfs/dbraw/zinc/98/31/15/1049983115.db2.gz ZKIJEVHGDVXWQF-HSZRJFAPSA-N 3 2 384.612 3.715 20 0 GHADLP O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1cc2c(s1)CC[NH2+]C2 ZINC001327927801 1050327109 /nfs/dbraw/zinc/32/71/09/1050327109.db2.gz ILPIPXLCMBYTAJ-UHFFFAOYSA-N 2 2 395.532 3.508 20 0 GHADLP O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1cc2c(s1)CC[NH2+]C2 ZINC001327927801 1050327115 /nfs/dbraw/zinc/32/71/15/1050327115.db2.gz ILPIPXLCMBYTAJ-UHFFFAOYSA-N 2 2 395.532 3.508 20 0 GHADLP CC[NH2+]CC1CC[NH+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)CC1 ZINC001329490926 1050817897 /nfs/dbraw/zinc/81/78/97/1050817897.db2.gz QCWBZPYTQCMJDX-UHFFFAOYSA-N 2 2 391.865 3.557 20 0 GHADLP COc1cc2c(cc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C)oc1ccccc12 ZINC001310066207 1051134768 /nfs/dbraw/zinc/13/47/68/1051134768.db2.gz WCPHCOIOFQMZNN-UHFFFAOYSA-N 2 2 398.507 3.600 20 0 GHADLP COc1cc2c(cc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)oc1ccccc12 ZINC001310066207 1051134778 /nfs/dbraw/zinc/13/47/78/1051134778.db2.gz WCPHCOIOFQMZNN-UHFFFAOYSA-N 2 2 398.507 3.600 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+]CCC(=O)N(C)c2ccccc2)CCOCC1)c1ccccc1 ZINC001335379851 1052086476 /nfs/dbraw/zinc/08/64/76/1052086476.db2.gz DEFDUKGVROWSIX-HXUWFJFHSA-N 2 2 395.547 3.529 20 0 GHADLP FC(F)(F)c1nc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cs1 ZINC001335468752 1052111105 /nfs/dbraw/zinc/11/11/05/1052111105.db2.gz UYOUJTHHYFDMNN-UHFFFAOYSA-N 2 2 385.455 3.926 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)C(C)C ZINC001312181866 1052622289 /nfs/dbraw/zinc/62/22/89/1052622289.db2.gz MJFSINONIOPTOT-XYOKQWHBSA-N 2 2 386.584 3.536 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cnn(-c2ccccc2Cl)c1 ZINC001318500822 1054681623 /nfs/dbraw/zinc/68/16/23/1054681623.db2.gz PUIWBIUPIKTWGV-UHFFFAOYSA-N 2 2 378.823 3.667 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC001318504282 1054684706 /nfs/dbraw/zinc/68/47/06/1054684706.db2.gz PYEHCRKJHMRNQC-FCHUYYIVSA-N 2 2 395.547 3.896 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC001318504282 1054684712 /nfs/dbraw/zinc/68/47/12/1054684712.db2.gz PYEHCRKJHMRNQC-FCHUYYIVSA-N 2 2 395.547 3.896 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001321083473 1056086748 /nfs/dbraw/zinc/08/67/48/1056086748.db2.gz DXJGZDNTGDDYJM-NRFANRHFSA-N 2 2 377.536 3.736 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001321083473 1056086762 /nfs/dbraw/zinc/08/67/62/1056086762.db2.gz DXJGZDNTGDDYJM-NRFANRHFSA-N 2 2 377.536 3.736 20 0 GHADLP CCOc1ccccc1OCCCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001321819183 1056408093 /nfs/dbraw/zinc/40/80/93/1056408093.db2.gz OXYQHDNYTPDJBS-UHFFFAOYSA-N 2 2 380.448 3.772 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccccc1OC(F)F ZINC001323992257 1057050876 /nfs/dbraw/zinc/05/08/76/1057050876.db2.gz QGKSZPVXERHRBN-KRWDZBQOSA-N 2 2 389.490 3.886 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3cc(-c4ccc(Br)cc4)cn3)CC[C@@H]21 ZINC000848481765 1057118302 /nfs/dbraw/zinc/11/83/02/1057118302.db2.gz GAEPJIVBFKJNMM-LPHOPBHVSA-N 2 2 389.341 3.686 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3cc(-c4ccc(Br)cc4)cn3)CC[C@@H]21 ZINC000848481765 1057118303 /nfs/dbraw/zinc/11/83/03/1057118303.db2.gz GAEPJIVBFKJNMM-LPHOPBHVSA-N 2 2 389.341 3.686 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3cc(-c4ccc(Br)cc4)cn3)CC[C@@H]21 ZINC000848481765 1057118306 /nfs/dbraw/zinc/11/83/06/1057118306.db2.gz GAEPJIVBFKJNMM-LPHOPBHVSA-N 2 2 389.341 3.686 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3cc(-c4ccc(Br)cc4)cn3)CC[C@@H]21 ZINC000848481765 1057118308 /nfs/dbraw/zinc/11/83/08/1057118308.db2.gz GAEPJIVBFKJNMM-LPHOPBHVSA-N 2 2 389.341 3.686 20 0 GHADLP Cc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C)c[nH+]1 ZINC001326685344 1057535245 /nfs/dbraw/zinc/53/52/45/1057535245.db2.gz WRAKGFAQKAXKEX-SEJPIABJSA-N 2 2 378.520 3.828 20 0 GHADLP Cc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)c[nH+]1 ZINC001326685344 1057535249 /nfs/dbraw/zinc/53/52/49/1057535249.db2.gz WRAKGFAQKAXKEX-SEJPIABJSA-N 2 2 378.520 3.828 20 0 GHADLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)c1ccc(F)cc1 ZINC000849083640 1057586320 /nfs/dbraw/zinc/58/63/20/1057586320.db2.gz BSBVJRKOLSQOSC-MRXNPFEDSA-N 2 2 384.377 3.963 20 0 GHADLP [NH2+]=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1ccccc1OC(F)(F)F ZINC000849084782 1057587089 /nfs/dbraw/zinc/58/70/89/1057587089.db2.gz MDFUXCZJZZVHBL-UHFFFAOYSA-N 2 2 389.381 3.966 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC001327053180 1057589641 /nfs/dbraw/zinc/58/96/41/1057589641.db2.gz PCIALBRBVKSODK-FQEVSTJZSA-N 2 2 376.504 3.849 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC001327053180 1057589645 /nfs/dbraw/zinc/58/96/45/1057589645.db2.gz PCIALBRBVKSODK-FQEVSTJZSA-N 2 2 376.504 3.849 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C\c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC001338077035 1058394177 /nfs/dbraw/zinc/39/41/77/1058394177.db2.gz QPJJKGHIUKELOK-IHWYPQMZSA-N 2 2 396.362 3.681 20 0 GHADLP COc1ccc(CCCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1OC ZINC001339085241 1058954451 /nfs/dbraw/zinc/95/44/51/1058954451.db2.gz BUBHUBKTPMKTLV-UHFFFAOYSA-N 2 2 380.448 3.554 20 0 GHADLP CC[N@H+](CCC1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1)CC(C)C ZINC001446742760 1059845238 /nfs/dbraw/zinc/84/52/38/1059845238.db2.gz LMZOZOMYFVPRLG-UHFFFAOYSA-N 2 2 398.551 3.798 20 0 GHADLP CC[N@@H+](CCC1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1)CC(C)C ZINC001446742760 1059845260 /nfs/dbraw/zinc/84/52/60/1059845260.db2.gz LMZOZOMYFVPRLG-UHFFFAOYSA-N 2 2 398.551 3.798 20 0 GHADLP CN(C(=O)CCC[Si](C)(C)C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001447302950 1059945470 /nfs/dbraw/zinc/94/54/70/1059945470.db2.gz FDTPGBKHBWYLKZ-PMACEKPBSA-N 2 2 381.681 3.900 20 0 GHADLP CN(C(=O)CCC[Si](C)(C)C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001447302950 1059945473 /nfs/dbraw/zinc/94/54/73/1059945473.db2.gz FDTPGBKHBWYLKZ-PMACEKPBSA-N 2 2 381.681 3.900 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)CCc1[nH+]ccn1C ZINC001450123241 1060537677 /nfs/dbraw/zinc/53/76/77/1060537677.db2.gz YMHSRXNVVVGRCL-JOCHJYFZSA-N 2 2 396.579 3.544 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)CCc1[nH+]ccn1C ZINC001450123241 1060537688 /nfs/dbraw/zinc/53/76/88/1060537688.db2.gz YMHSRXNVVVGRCL-JOCHJYFZSA-N 2 2 396.579 3.544 20 0 GHADLP CC(C)C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)n1cc[nH+]c1 ZINC001451894255 1060857247 /nfs/dbraw/zinc/85/72/47/1060857247.db2.gz ZNNBZJLJNQUPGC-OAHLLOKOSA-N 2 2 375.542 3.722 20 0 GHADLP CC(C)C[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)n1cc[nH+]c1 ZINC001451894255 1060857271 /nfs/dbraw/zinc/85/72/71/1060857271.db2.gz ZNNBZJLJNQUPGC-OAHLLOKOSA-N 2 2 375.542 3.722 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1cccs1 ZINC001463646483 1064523742 /nfs/dbraw/zinc/52/37/42/1064523742.db2.gz KEPKHCASXNESQP-RTBURBONSA-N 2 2 389.540 3.661 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1cccs1 ZINC001463646483 1064523759 /nfs/dbraw/zinc/52/37/59/1064523759.db2.gz KEPKHCASXNESQP-RTBURBONSA-N 2 2 389.540 3.661 20 0 GHADLP Cn1ncc(NC(=O)OC(C)(C)C)c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001352000360 1064756657 /nfs/dbraw/zinc/75/66/57/1064756657.db2.gz OUZXWTQPJSUBMR-UHFFFAOYSA-N 2 2 391.560 3.654 20 0 GHADLP CC[N@H+](CC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)Cc1ccccc1Cl ZINC001465551223 1065707428 /nfs/dbraw/zinc/70/74/28/1065707428.db2.gz VHNSJPMFORUAIX-OAQYLSRUSA-N 2 2 399.966 3.895 20 0 GHADLP CC[N@@H+](CC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)Cc1ccccc1Cl ZINC001465551223 1065707441 /nfs/dbraw/zinc/70/74/41/1065707441.db2.gz VHNSJPMFORUAIX-OAQYLSRUSA-N 2 2 399.966 3.895 20 0 GHADLP CC[NH+](CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)Cc1ccccc1Cl ZINC001465551223 1065707450 /nfs/dbraw/zinc/70/74/50/1065707450.db2.gz VHNSJPMFORUAIX-OAQYLSRUSA-N 2 2 399.966 3.895 20 0 GHADLP CC[NH+](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)Cc1ccccc1Cl ZINC001465551223 1065707463 /nfs/dbraw/zinc/70/74/63/1065707463.db2.gz VHNSJPMFORUAIX-OAQYLSRUSA-N 2 2 399.966 3.895 20 0 GHADLP C[C@@H]1CN(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001467372628 1067257251 /nfs/dbraw/zinc/25/72/51/1067257251.db2.gz ILPVHGVXDNENFD-LJQANCHMSA-N 2 2 393.535 3.810 20 0 GHADLP C[C@@H]1CN(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001467372628 1067257262 /nfs/dbraw/zinc/25/72/62/1067257262.db2.gz ILPVHGVXDNENFD-LJQANCHMSA-N 2 2 393.535 3.810 20 0 GHADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@H]2CC[C@H](C3CC3)O2)o1 ZINC001460086949 1068773339 /nfs/dbraw/zinc/77/33/39/1068773339.db2.gz VDFSNWVBYOSLMG-NVXWUHKLSA-N 2 2 394.313 3.698 20 0 GHADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@H]2CC[C@H](C3CC3)O2)o1 ZINC001460086949 1068773356 /nfs/dbraw/zinc/77/33/56/1068773356.db2.gz VDFSNWVBYOSLMG-NVXWUHKLSA-N 2 2 394.313 3.698 20 0 GHADLP COC[C@@H](C[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1)C(C)C ZINC001460201344 1068856501 /nfs/dbraw/zinc/85/65/01/1068856501.db2.gz IAFCNPBJTABBNN-LJQANCHMSA-N 2 2 394.003 3.845 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC001471918910 1073259841 /nfs/dbraw/zinc/25/98/41/1073259841.db2.gz WHIQRCDKOOSSDY-QFIPXVFZSA-N 2 2 392.547 3.848 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC001471918910 1073259849 /nfs/dbraw/zinc/25/98/49/1073259849.db2.gz WHIQRCDKOOSSDY-QFIPXVFZSA-N 2 2 392.547 3.848 20 0 GHADLP Cc1nc(NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2c([nH+]1)CCCC2 ZINC001472688992 1073620184 /nfs/dbraw/zinc/62/01/84/1073620184.db2.gz RRUXHGAZVRFAFP-UHFFFAOYSA-N 2 2 399.970 3.941 20 0 GHADLP Fc1cccc(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001473132368 1073797490 /nfs/dbraw/zinc/79/74/90/1073797490.db2.gz XZXWIEYVIASAOD-JOCHJYFZSA-N 2 2 396.554 3.688 20 0 GHADLP Fc1cccc(CCC[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001473132368 1073797499 /nfs/dbraw/zinc/79/74/99/1073797499.db2.gz XZXWIEYVIASAOD-JOCHJYFZSA-N 2 2 396.554 3.688 20 0 GHADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)C1 ZINC001473989019 1074227025 /nfs/dbraw/zinc/22/70/25/1074227025.db2.gz OXTSAMFWJIYCDW-IBGZPJMESA-N 3 2 390.959 3.826 20 0 GHADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)C1 ZINC001473989019 1074227027 /nfs/dbraw/zinc/22/70/27/1074227027.db2.gz OXTSAMFWJIYCDW-IBGZPJMESA-N 3 2 390.959 3.826 20 0 GHADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC001474017543 1074236696 /nfs/dbraw/zinc/23/66/96/1074236696.db2.gz GXYKQYVYAUQFEA-OAQYLSRUSA-N 2 2 384.612 3.584 20 0 GHADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001474042341 1074245581 /nfs/dbraw/zinc/24/55/81/1074245581.db2.gz FPMBEOMYBVMOTN-ZEQRLZLVSA-N 2 2 390.531 3.642 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(CC(F)(F)F)cc3)[nH+]c2)C1 ZINC001474076733 1074256144 /nfs/dbraw/zinc/25/61/44/1074256144.db2.gz HKWHFCXBIZSHPI-SFHVURJKSA-N 2 2 378.442 3.939 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2I)C1 ZINC001474078013 1074256870 /nfs/dbraw/zinc/25/68/70/1074256870.db2.gz ASUSJTWHHVKLCJ-OAHLLOKOSA-N 2 2 386.321 3.749 20 0 GHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2I)C1 ZINC001474078013 1074256873 /nfs/dbraw/zinc/25/68/73/1074256873.db2.gz ASUSJTWHHVKLCJ-OAHLLOKOSA-N 2 2 386.321 3.749 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C[C@H]1C(F)(F)F ZINC001474658221 1074503620 /nfs/dbraw/zinc/50/36/20/1074503620.db2.gz GSYWNWPNAFVSBA-RKTXRCNFSA-N 2 2 376.463 3.503 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C[C@H]1C(F)(F)F ZINC001474658221 1074503622 /nfs/dbraw/zinc/50/36/22/1074503622.db2.gz GSYWNWPNAFVSBA-RKTXRCNFSA-N 2 2 376.463 3.503 20 0 GHADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC001474754753 1074547354 /nfs/dbraw/zinc/54/73/54/1074547354.db2.gz HDDWLNGIIBCKBR-UHFFFAOYSA-N 2 2 384.524 3.824 20 0 GHADLP CCNc1cc(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc[nH+]1 ZINC001476276588 1075114670 /nfs/dbraw/zinc/11/46/70/1075114670.db2.gz WZUOXTSYZMCJRA-UHFFFAOYSA-N 2 2 397.523 3.700 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736565317 598991725 /nfs/dbraw/zinc/99/17/25/598991725.db2.gz JLCRYXNTNDHUGI-XLIONFOSSA-N 2 2 390.535 3.838 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736565317 598991726 /nfs/dbraw/zinc/99/17/26/598991726.db2.gz JLCRYXNTNDHUGI-XLIONFOSSA-N 2 2 390.535 3.838 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736565317 598991727 /nfs/dbraw/zinc/99/17/27/598991727.db2.gz JLCRYXNTNDHUGI-XLIONFOSSA-N 2 2 390.535 3.838 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736565317 598991728 /nfs/dbraw/zinc/99/17/28/598991728.db2.gz JLCRYXNTNDHUGI-XLIONFOSSA-N 2 2 390.535 3.838 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824546200 609331600 /nfs/dbraw/zinc/33/16/00/609331600.db2.gz HEGYGTCTAMGCFD-OAHLLOKOSA-N 2 2 386.519 3.701 20 0 GHADLP CCCc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(C)[nH+]1 ZINC001165021587 721817919 /nfs/dbraw/zinc/81/79/19/721817919.db2.gz DTEXBTXYZPHIMT-NYVOZVTQSA-N 2 2 379.552 3.869 20 0 GHADLP CCCc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(C)[nH+]1 ZINC001165021587 721817920 /nfs/dbraw/zinc/81/79/20/721817920.db2.gz DTEXBTXYZPHIMT-NYVOZVTQSA-N 2 2 379.552 3.869 20 0 GHADLP CC(C)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)[nH+]c1 ZINC001164962230 722056994 /nfs/dbraw/zinc/05/69/94/722056994.db2.gz BUXZLBMMSYZHJB-UHFFFAOYSA-N 2 2 380.536 3.719 20 0 GHADLP CC(C)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)[nH+]c1 ZINC001164962230 722056996 /nfs/dbraw/zinc/05/69/96/722056996.db2.gz BUXZLBMMSYZHJB-UHFFFAOYSA-N 2 2 380.536 3.719 20 0 GHADLP Clc1ccccc1[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)[NH+]1CCCC1 ZINC000655692333 837673138 /nfs/dbraw/zinc/67/31/38/837673138.db2.gz UNSPKGUCDZACHZ-DENIHFKCSA-N 2 2 391.987 3.710 20 0 GHADLP Clc1ccccc1[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)N1CCCC1 ZINC000655692333 837673139 /nfs/dbraw/zinc/67/31/39/837673139.db2.gz UNSPKGUCDZACHZ-DENIHFKCSA-N 2 2 391.987 3.710 20 0 GHADLP COc1ccc(Oc2cc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)ccn2)cc1 ZINC000655695213 837685625 /nfs/dbraw/zinc/68/56/25/837685625.db2.gz UIPIKPXBXBOCNH-JOCHJYFZSA-N 2 2 397.519 3.616 20 0 GHADLP Clc1ccc(C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccn2)cc1 ZINC000655736183 837776442 /nfs/dbraw/zinc/77/64/42/837776442.db2.gz NPFFTHQLCATHIO-UNMCSNQZSA-N 2 2 385.939 3.862 20 0 GHADLP Cc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000643547798 834706891 /nfs/dbraw/zinc/70/68/91/834706891.db2.gz JBKDLWCIDPZUFZ-UNMCSNQZSA-N 2 2 398.572 3.752 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CC[C@H](C4CCC4)CC3)CC2)CC1 ZINC000616381540 834721418 /nfs/dbraw/zinc/72/14/18/834721418.db2.gz UFPQPENVMKEFBR-MEMLXQNLSA-N 2 2 375.601 3.612 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CC[C@H](C4CCC4)CC3)CC2)CC1 ZINC000616381540 834721424 /nfs/dbraw/zinc/72/14/24/834721424.db2.gz UFPQPENVMKEFBR-MEMLXQNLSA-N 2 2 375.601 3.612 20 0 GHADLP O=C(NC1CC1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000146720175 834826803 /nfs/dbraw/zinc/82/68/03/834826803.db2.gz GYBQPRDGIXDXGS-LAUBAEHRSA-N 2 2 383.561 3.570 20 0 GHADLP O=C(NC1CC1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000146720175 834826810 /nfs/dbraw/zinc/82/68/10/834826810.db2.gz GYBQPRDGIXDXGS-LAUBAEHRSA-N 2 2 383.561 3.570 20 0 GHADLP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000685629675 835238069 /nfs/dbraw/zinc/23/80/69/835238069.db2.gz DSLRFMGEHWVTKZ-XHDPSFHLSA-N 2 2 393.331 3.929 20 0 GHADLP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000658025844 835376912 /nfs/dbraw/zinc/37/69/12/835376912.db2.gz NBAVLLXOKHOAAL-HIFRSBDPSA-N 2 2 378.866 3.726 20 0 GHADLP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000658025844 835376922 /nfs/dbraw/zinc/37/69/22/835376922.db2.gz NBAVLLXOKHOAAL-HIFRSBDPSA-N 2 2 378.866 3.726 20 0 GHADLP Brc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295202 835558725 /nfs/dbraw/zinc/55/87/25/835558725.db2.gz REIWXYYXXAHULK-HNAYVOBHSA-N 2 2 379.342 3.669 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000154358440 835573305 /nfs/dbraw/zinc/57/33/05/835573305.db2.gz HGHRUUNYWKYACJ-PSBKLILYSA-N 2 2 395.551 3.529 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC[N@H+]1Cc1ccccc1 ZINC000154358440 835573311 /nfs/dbraw/zinc/57/33/11/835573311.db2.gz HGHRUUNYWKYACJ-PSBKLILYSA-N 2 2 395.551 3.529 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3ncc(C(F)(F)F)s3)[nH+]c2)CC1 ZINC000278657586 835724947 /nfs/dbraw/zinc/72/49/47/835724947.db2.gz HBQHBMPFDQDHQP-UHFFFAOYSA-N 2 2 385.459 3.699 20 0 GHADLP C[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1)Cn1cc[nH+]c1 ZINC000584355660 835910690 /nfs/dbraw/zinc/91/06/90/835910690.db2.gz GHGFFTXQOREKQM-NSHDSACASA-N 2 2 387.119 3.834 20 0 GHADLP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1 ZINC000432882867 844111184 /nfs/dbraw/zinc/11/11/84/844111184.db2.gz DOQLTXHBUPRTGI-UHFFFAOYSA-N 2 2 396.535 3.711 20 0 GHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1 ZINC000432882867 844111189 /nfs/dbraw/zinc/11/11/89/844111189.db2.gz DOQLTXHBUPRTGI-UHFFFAOYSA-N 2 2 396.535 3.711 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150779910 835996668 /nfs/dbraw/zinc/99/66/68/835996668.db2.gz AUOMPVUJZQLXPY-LEWJYISDSA-N 2 2 391.559 3.698 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150779910 835996674 /nfs/dbraw/zinc/99/66/74/835996674.db2.gz AUOMPVUJZQLXPY-LEWJYISDSA-N 2 2 391.559 3.698 20 0 GHADLP CC(=O)N(c1nc(C[N@H+](C)CC2CC[NH+](C)CC2)cs1)c1ccc(C)cc1 ZINC000154833827 836038477 /nfs/dbraw/zinc/03/84/77/836038477.db2.gz YANYNRSAKXACPO-UHFFFAOYSA-N 2 2 386.565 3.910 20 0 GHADLP CC(=O)N(c1nc(C[N@@H+](C)CC2CC[NH+](C)CC2)cs1)c1ccc(C)cc1 ZINC000154833827 836038492 /nfs/dbraw/zinc/03/84/92/836038492.db2.gz YANYNRSAKXACPO-UHFFFAOYSA-N 2 2 386.565 3.910 20 0 GHADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000180496310 836181122 /nfs/dbraw/zinc/18/11/22/836181122.db2.gz GUPBUXRHSSQJEP-VFNWGFHPSA-N 2 2 393.909 3.933 20 0 GHADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000180496290 836181324 /nfs/dbraw/zinc/18/13/24/836181324.db2.gz GUPBUXRHSSQJEP-BTYIYWSLSA-N 2 2 393.909 3.933 20 0 GHADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+]Cc2ccc(C3CCC3)cc2)c1 ZINC000549722252 844166794 /nfs/dbraw/zinc/16/67/94/844166794.db2.gz QUHYOSKOVLJXDR-UHFFFAOYSA-N 2 2 380.532 3.955 20 0 GHADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000175269980 836750237 /nfs/dbraw/zinc/75/02/37/836750237.db2.gz QBOIFBPHQYLAAB-OAQYLSRUSA-N 2 2 388.515 3.857 20 0 GHADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000175269980 836750256 /nfs/dbraw/zinc/75/02/56/836750256.db2.gz QBOIFBPHQYLAAB-OAQYLSRUSA-N 2 2 388.515 3.857 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c2ccccc12 ZINC000376069503 836751712 /nfs/dbraw/zinc/75/17/12/836751712.db2.gz RSRSNFZZRUZIMM-QBUWPKIASA-N 2 2 395.547 3.583 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c2ccccc12 ZINC000376069503 836751719 /nfs/dbraw/zinc/75/17/19/836751719.db2.gz RSRSNFZZRUZIMM-QBUWPKIASA-N 2 2 395.547 3.583 20 0 GHADLP CSc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)o1 ZINC000612959709 837018581 /nfs/dbraw/zinc/01/85/81/837018581.db2.gz MMLSOTMUXXUGHZ-OALUTQOASA-N 2 2 393.597 3.719 20 0 GHADLP CSc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)o1 ZINC000612959709 837018591 /nfs/dbraw/zinc/01/85/91/837018591.db2.gz MMLSOTMUXXUGHZ-OALUTQOASA-N 2 2 393.597 3.719 20 0 GHADLP CCC[C@@](C)(NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000892522273 837258346 /nfs/dbraw/zinc/25/83/46/837258346.db2.gz VTMJXZICHKDDSC-HSZRJFAPSA-N 2 2 386.584 3.560 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C2CCN(Cc3ccccn3)CC2)c(C)c1 ZINC000414359973 837354437 /nfs/dbraw/zinc/35/44/37/837354437.db2.gz LRBOFQPLXMGHOU-XMMPIXPASA-N 2 2 389.547 3.890 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655847609 838045590 /nfs/dbraw/zinc/04/55/90/838045590.db2.gz CIVYDDPQITUAAH-WOJBJXKFSA-N 2 2 375.944 3.551 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655847609 838045608 /nfs/dbraw/zinc/04/56/08/838045608.db2.gz CIVYDDPQITUAAH-WOJBJXKFSA-N 2 2 375.944 3.551 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3csc(-c4ccccc4F)n3)C2)CC1 ZINC000377898738 838127795 /nfs/dbraw/zinc/12/77/95/838127795.db2.gz CFSFYDINIXJWJC-SFHVURJKSA-N 2 2 388.556 3.550 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc(-c4ccccc4F)n3)C2)CC1 ZINC000377898738 838127803 /nfs/dbraw/zinc/12/78/03/838127803.db2.gz CFSFYDINIXJWJC-SFHVURJKSA-N 2 2 388.556 3.550 20 0 GHADLP CC(C)[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000533706979 838154413 /nfs/dbraw/zinc/15/44/13/838154413.db2.gz FYTZYIPLPJWIJR-NRFANRHFSA-N 2 2 389.559 3.632 20 0 GHADLP Cc1ccc(NC(=O)CC[NH2+]C[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)nc1 ZINC000683659182 838218254 /nfs/dbraw/zinc/21/82/54/838218254.db2.gz MQSLJTBQWBRFHC-NRFANRHFSA-N 2 2 380.536 3.781 20 0 GHADLP Cc1nn2c(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)c(C)nc2s1 ZINC000549821972 844367778 /nfs/dbraw/zinc/36/77/78/844367778.db2.gz KXYXERDTHPRWJF-LJQANCHMSA-N 2 2 383.565 3.798 20 0 GHADLP Cc1nn2c(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)c(C)nc2s1 ZINC000549821972 844367794 /nfs/dbraw/zinc/36/77/94/844367794.db2.gz KXYXERDTHPRWJF-LJQANCHMSA-N 2 2 383.565 3.798 20 0 GHADLP Cc1c(Cl)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)nc2ccccc12 ZINC000378319182 838855709 /nfs/dbraw/zinc/85/57/09/838855709.db2.gz NHGNPOZFXYMSSF-IIBYNOLFSA-N 2 2 386.971 3.654 20 0 GHADLP Cc1c(Cl)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)nc2ccccc12 ZINC000378319182 838855727 /nfs/dbraw/zinc/85/57/27/838855727.db2.gz NHGNPOZFXYMSSF-IIBYNOLFSA-N 2 2 386.971 3.654 20 0 GHADLP CC(C)[C@@H]1C[C@@H](CC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000683849773 839144595 /nfs/dbraw/zinc/14/45/95/839144595.db2.gz AKRYZWCALAUFOE-PTLVVNQVSA-N 2 2 397.607 3.931 20 0 GHADLP CC(C)[C@@H]1C[C@@H](CC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000683849773 839144605 /nfs/dbraw/zinc/14/46/05/839144605.db2.gz AKRYZWCALAUFOE-PTLVVNQVSA-N 2 2 397.607 3.931 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000683896698 839354016 /nfs/dbraw/zinc/35/40/16/839354016.db2.gz RQTXBWLRZHHSAA-DLBZAZTESA-N 2 2 385.483 3.638 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)c2ccccc21 ZINC000549236458 839436158 /nfs/dbraw/zinc/43/61/58/839436158.db2.gz AQTQGFXZQHVCGP-RTWAWAEBSA-N 2 2 388.552 3.647 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(N[C@H](c3ncc[nH]3)c3ccc(F)cc3)[nH+]c2)CC1 ZINC000275895782 839660124 /nfs/dbraw/zinc/66/01/24/839660124.db2.gz RKXDNCYJUFMOAS-NRFANRHFSA-N 2 2 394.498 3.676 20 0 GHADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000129261970 844469113 /nfs/dbraw/zinc/46/91/13/844469113.db2.gz JZCWVOYBQKUSES-UHFFFAOYSA-N 2 2 393.531 3.675 20 0 GHADLP CCOC(=O)[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000187368456 840727231 /nfs/dbraw/zinc/72/72/31/840727231.db2.gz FYVNFFNJWHYSCW-NRFANRHFSA-N 2 2 386.561 3.724 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cnccc1NC(=O)OC(C)(C)C ZINC000364103213 840797957 /nfs/dbraw/zinc/79/79/57/840797957.db2.gz JHKQLOPJAOVYGE-MRXNPFEDSA-N 2 2 393.491 3.887 20 0 GHADLP c1csc(-c2noc(CCC[NH+]3CCC([NH2+]Cc4ccccc4)CC3)n2)c1 ZINC000660674086 841087161 /nfs/dbraw/zinc/08/71/61/841087161.db2.gz MFCDXJWWTDDQIS-UHFFFAOYSA-N 2 2 382.533 3.985 20 0 GHADLP C[N@@H+]1CCC[C@H](CCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000656587430 841494653 /nfs/dbraw/zinc/49/46/53/841494653.db2.gz AOVNJWNRDNDAOG-QGZVFWFLSA-N 2 2 381.524 3.740 20 0 GHADLP C[N@H+]1CCC[C@H](CCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000656587430 841494657 /nfs/dbraw/zinc/49/46/57/841494657.db2.gz AOVNJWNRDNDAOG-QGZVFWFLSA-N 2 2 381.524 3.740 20 0 GHADLP C[C@H]1C[C@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C[N@@H+]1C1CC1 ZINC000500242998 841724116 /nfs/dbraw/zinc/72/41/16/841724116.db2.gz JPDBTWIHXLUHTL-AAEUAGOBSA-N 2 2 377.838 3.738 20 0 GHADLP C[C@H]1C[C@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C[N@H+]1C1CC1 ZINC000500242998 841724125 /nfs/dbraw/zinc/72/41/25/841724125.db2.gz JPDBTWIHXLUHTL-AAEUAGOBSA-N 2 2 377.838 3.738 20 0 GHADLP C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806868 841794135 /nfs/dbraw/zinc/79/41/35/841794135.db2.gz JNOBJMSZXBEZJY-MRXNPFEDSA-N 2 2 379.495 3.880 20 0 GHADLP CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000276421180 841875413 /nfs/dbraw/zinc/87/54/13/841875413.db2.gz QZZNQLUAHXFOOD-UHFFFAOYSA-N 2 2 393.535 3.942 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cc(F)ccc3OC(F)F)[nH+]c2)C1 ZINC000656770489 841908011 /nfs/dbraw/zinc/90/80/11/841908011.db2.gz DAKDEYRPOSZWCQ-MRXNPFEDSA-N 2 2 380.414 3.575 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)s1 ZINC000511893070 841945531 /nfs/dbraw/zinc/94/55/31/841945531.db2.gz BWHMQOUWTIVYNI-UHFFFAOYSA-N 2 2 379.327 3.738 20 0 GHADLP CC[NH+](CC)CCC[C@H](C)N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001167833935 842222256 /nfs/dbraw/zinc/22/22/56/842222256.db2.gz GCWSEKGABDQYBE-FQEVSTJZSA-N 2 2 391.575 3.917 20 0 GHADLP Cc1nc(-c2cc([C@@H](C)[NH2+][C@H]3C[NH2+]CC4(CCOCC4)C3)cs2)cs1 ZINC000925797405 842226820 /nfs/dbraw/zinc/22/68/20/842226820.db2.gz ODZWTMYODOFZDW-CZUORRHYSA-N 2 2 377.579 3.989 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000066986606 842263393 /nfs/dbraw/zinc/26/33/93/842263393.db2.gz BBUZTOBLLIZVMC-LJQANCHMSA-N 2 2 395.532 3.570 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000432243544 842351470 /nfs/dbraw/zinc/35/14/70/842351470.db2.gz WIXMJTTUBFXLCP-IBGZPJMESA-N 2 2 383.294 3.859 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000432243544 842351475 /nfs/dbraw/zinc/35/14/75/842351475.db2.gz WIXMJTTUBFXLCP-IBGZPJMESA-N 2 2 383.294 3.859 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)COc2ncccc2C(F)(F)F)s1 ZINC000512083625 842444198 /nfs/dbraw/zinc/44/41/98/842444198.db2.gz RNHFHMZVTHYHFH-UHFFFAOYSA-N 2 2 388.459 3.566 20 0 GHADLP O=C1[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCN1C1CCCCC1 ZINC000647193267 842501176 /nfs/dbraw/zinc/50/11/76/842501176.db2.gz SGBIWEATAINELA-IRLDBZIGSA-N 2 2 381.564 3.707 20 0 GHADLP O=C1[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCN1C1CCCCC1 ZINC000647193267 842501179 /nfs/dbraw/zinc/50/11/79/842501179.db2.gz SGBIWEATAINELA-IRLDBZIGSA-N 2 2 381.564 3.707 20 0 GHADLP c1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481423640 861316873 /nfs/dbraw/zinc/31/68/73/861316873.db2.gz NMGSPDAXEXWZEM-XMMPIXPASA-N 2 2 380.532 3.955 20 0 GHADLP CCc1ccc([C@H](CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)[NH+](CC)CC)cc1 ZINC000432443978 842516850 /nfs/dbraw/zinc/51/68/50/842516850.db2.gz MQQFTGBJIVCQEU-SFTDATJTSA-N 2 2 397.567 3.565 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3ncc(C[NH+](C)C)s3)cc2)C1 ZINC000512116815 842546609 /nfs/dbraw/zinc/54/66/09/842546609.db2.gz PVSUEWOOKIQNSO-QZTJIDSGSA-N 3 2 386.609 3.972 20 0 GHADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152307 842772330 /nfs/dbraw/zinc/77/23/30/842772330.db2.gz CTHAEEIUVOOMSR-MBSDFSHPSA-N 2 2 393.531 3.531 20 0 GHADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152307 842772337 /nfs/dbraw/zinc/77/23/37/842772337.db2.gz CTHAEEIUVOOMSR-MBSDFSHPSA-N 2 2 393.531 3.531 20 0 GHADLP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Nc1ccc2[nH+]ccn2c1 ZINC000606582392 842792807 /nfs/dbraw/zinc/79/28/07/842792807.db2.gz NJOPBEDLWJAWCB-GOSISDBHSA-N 2 2 383.883 3.946 20 0 GHADLP CC(C)([NH3+])c1noc(C[NH2+]C2(c3ccc(Br)cc3)CCCCC2)n1 ZINC000662296032 843091892 /nfs/dbraw/zinc/09/18/92/843091892.db2.gz PEWRKYWXKPCMCS-UHFFFAOYSA-N 2 2 393.329 3.975 20 0 GHADLP Cc1cnc(C2CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)s1 ZINC000510793871 843494484 /nfs/dbraw/zinc/49/44/84/843494484.db2.gz DPEIXFCBKYILNV-UHFFFAOYSA-N 2 2 384.593 3.843 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278910377 843711644 /nfs/dbraw/zinc/71/16/44/843711644.db2.gz QKMOOQZXIQSMSD-AWEZNQCLSA-N 2 2 388.462 3.704 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)C ZINC000673709845 861458319 /nfs/dbraw/zinc/45/83/19/861458319.db2.gz ROVWIAYKLSLTMV-HXUWFJFHSA-N 2 2 385.556 3.512 20 0 GHADLP CC(C)(C)OC(=O)N1CCC([NH2+]CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000236738193 843873300 /nfs/dbraw/zinc/87/33/00/843873300.db2.gz CWIMZDWBQXKVTK-UHFFFAOYSA-N 2 2 397.629 3.727 20 0 GHADLP Cc1ccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(Br)c1 ZINC000419288117 843875783 /nfs/dbraw/zinc/87/57/83/843875783.db2.gz HAZONDAMQLZVGQ-CQSZACIVSA-N 2 2 394.357 3.691 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000433297803 843985363 /nfs/dbraw/zinc/98/53/63/843985363.db2.gz MJFOQLSUELRDKS-PWHSHALESA-N 2 2 395.547 3.927 20 0 GHADLP CN(C(=O)c1cc(F)cc(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849300 844809995 /nfs/dbraw/zinc/80/99/95/844809995.db2.gz XBKGGBICOPZMEQ-PMACEKPBSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1cc(F)cc(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849300 844809999 /nfs/dbraw/zinc/80/99/99/844809999.db2.gz XBKGGBICOPZMEQ-PMACEKPBSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)[C@H]1CCCc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850617 844811444 /nfs/dbraw/zinc/81/14/44/844811444.db2.gz IQRKGZSBLHKBOE-RBZQAINGSA-N 2 2 397.607 3.902 20 0 GHADLP CN(C(=O)[C@H]1CCCc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850617 844811457 /nfs/dbraw/zinc/81/14/57/844811457.db2.gz IQRKGZSBLHKBOE-RBZQAINGSA-N 2 2 397.607 3.902 20 0 GHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000513456380 845465558 /nfs/dbraw/zinc/46/55/58/845465558.db2.gz PYTMEHUJPIDLHH-UHFFFAOYSA-N 2 2 397.611 3.505 20 0 GHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000513456380 845465563 /nfs/dbraw/zinc/46/55/63/845465563.db2.gz PYTMEHUJPIDLHH-UHFFFAOYSA-N 2 2 397.611 3.505 20 0 GHADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000431327698 845950106 /nfs/dbraw/zinc/95/01/06/845950106.db2.gz SNHZKWARTIGSMG-NHCUHLMSSA-N 2 2 387.568 3.556 20 0 GHADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000431327698 845950113 /nfs/dbraw/zinc/95/01/13/845950113.db2.gz SNHZKWARTIGSMG-NHCUHLMSSA-N 2 2 387.568 3.556 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657311799 846041016 /nfs/dbraw/zinc/04/10/16/846041016.db2.gz VNAZPQSWNVFTAO-IBGZPJMESA-N 3 2 375.520 3.789 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657311799 846041021 /nfs/dbraw/zinc/04/10/21/846041021.db2.gz VNAZPQSWNVFTAO-IBGZPJMESA-N 3 2 375.520 3.789 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(CN3CC[NH+](Cc4ccccc4)[C@@H](C)C3)sc2C1 ZINC000414514041 846192169 /nfs/dbraw/zinc/19/21/69/846192169.db2.gz RATUSGNQPNMVKE-SFHVURJKSA-N 2 2 384.593 3.616 20 0 GHADLP CC(C)[N@H+]1CCc2nc(CN3CC[NH+](Cc4ccccc4)[C@@H](C)C3)sc2C1 ZINC000414514041 846192176 /nfs/dbraw/zinc/19/21/76/846192176.db2.gz RATUSGNQPNMVKE-SFHVURJKSA-N 2 2 384.593 3.616 20 0 GHADLP CC(C)[NH+]1CCc2nc(CN3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)sc2C1 ZINC000414514041 846192180 /nfs/dbraw/zinc/19/21/80/846192180.db2.gz RATUSGNQPNMVKE-SFHVURJKSA-N 2 2 384.593 3.616 20 0 GHADLP CC(C)[NH+]1CCc2nc(CN3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)sc2C1 ZINC000414514041 846192185 /nfs/dbraw/zinc/19/21/85/846192185.db2.gz RATUSGNQPNMVKE-SFHVURJKSA-N 2 2 384.593 3.616 20 0 GHADLP CC(C)[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000502562411 846206671 /nfs/dbraw/zinc/20/66/71/846206671.db2.gz ZPJQIYZENNXNOU-NRFANRHFSA-N 2 2 389.540 3.518 20 0 GHADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548664319 846229995 /nfs/dbraw/zinc/22/99/95/846229995.db2.gz APPIHVVTOXQODK-RDJZCZTQSA-N 2 2 386.927 3.998 20 0 GHADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548664319 846230002 /nfs/dbraw/zinc/23/00/02/846230002.db2.gz APPIHVVTOXQODK-RDJZCZTQSA-N 2 2 386.927 3.998 20 0 GHADLP CSc1ccc(Cl)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000158078266 846437908 /nfs/dbraw/zinc/43/79/08/846437908.db2.gz IYVJNHPDKTZUCE-UHFFFAOYSA-N 2 2 384.977 3.552 20 0 GHADLP CSc1ccc(Cl)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000158078266 846437916 /nfs/dbraw/zinc/43/79/16/846437916.db2.gz IYVJNHPDKTZUCE-UHFFFAOYSA-N 2 2 384.977 3.552 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccccc1 ZINC000673769414 861688732 /nfs/dbraw/zinc/68/87/32/861688732.db2.gz UQOKEICWLFMEFQ-OAQYLSRUSA-N 2 2 393.535 3.568 20 0 GHADLP COc1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)c(F)c1 ZINC000421819526 846600234 /nfs/dbraw/zinc/60/02/34/846600234.db2.gz HOLRETAZPJJGJZ-QHCPKHFHSA-N 2 2 384.495 3.907 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](CC3CCCC3)C(C)C)CC2)CC1 ZINC000422009396 846748401 /nfs/dbraw/zinc/74/84/01/846748401.db2.gz AWFJJOXAWCPNJX-JOCHJYFZSA-N 2 2 377.617 3.858 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](CC3CCCC3)C(C)C)CC2)CC1 ZINC000422009396 846748413 /nfs/dbraw/zinc/74/84/13/846748413.db2.gz AWFJJOXAWCPNJX-JOCHJYFZSA-N 2 2 377.617 3.858 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(CC)(CC)c3ccccc3)CC2)CC1 ZINC000422023573 846755452 /nfs/dbraw/zinc/75/54/52/846755452.db2.gz PYGLUXOORVRVSG-UHFFFAOYSA-N 2 2 385.596 3.763 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(CC)(CC)c3ccccc3)CC2)CC1 ZINC000422023573 846755455 /nfs/dbraw/zinc/75/54/55/846755455.db2.gz PYGLUXOORVRVSG-UHFFFAOYSA-N 2 2 385.596 3.763 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000422024017 846755762 /nfs/dbraw/zinc/75/57/62/846755762.db2.gz QHZJZGRBAUZUOD-QHCPKHFHSA-N 2 2 385.596 3.835 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000422024017 846755765 /nfs/dbraw/zinc/75/57/65/846755765.db2.gz QHZJZGRBAUZUOD-QHCPKHFHSA-N 2 2 385.596 3.835 20 0 GHADLP CCc1ccc([C@H](C)CC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000422019366 846771842 /nfs/dbraw/zinc/77/18/42/846771842.db2.gz LPXYOZMMOZDRKS-HXUWFJFHSA-N 2 2 385.596 3.761 20 0 GHADLP CCc1ccc([C@H](C)CC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000422019366 846771848 /nfs/dbraw/zinc/77/18/48/846771848.db2.gz LPXYOZMMOZDRKS-HXUWFJFHSA-N 2 2 385.596 3.761 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](c3ccccc3C)C3CC3)CC2)CC1 ZINC000422171082 846871120 /nfs/dbraw/zinc/87/11/20/846871120.db2.gz WLOHYXDQHFRWAT-QHCPKHFHSA-N 2 2 398.595 3.648 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](c3ccccc3C)C3CC3)CC2)CC1 ZINC000422171082 846871125 /nfs/dbraw/zinc/87/11/25/846871125.db2.gz WLOHYXDQHFRWAT-QHCPKHFHSA-N 2 2 398.595 3.648 20 0 GHADLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414432828 846877212 /nfs/dbraw/zinc/87/72/12/846877212.db2.gz APCCOECFPJUIGO-UHFFFAOYSA-N 2 2 388.474 3.573 20 0 GHADLP COC[C@H](C)Oc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000657412132 847071111 /nfs/dbraw/zinc/07/11/11/847071111.db2.gz BTHLTOHVBDFXST-OALUTQOASA-N 2 2 383.536 3.811 20 0 GHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[NH2+]C[C@@](C)(F)C2)n1 ZINC000420260751 847076633 /nfs/dbraw/zinc/07/66/33/847076633.db2.gz JLZBIUFMVAYULJ-OAQYLSRUSA-N 2 2 399.539 3.558 20 0 GHADLP C[N@H+](CCN(Cc1ccccc1)C(=O)CCc1[nH]cc[nH+]1)Cc1ccccc1 ZINC000501762391 847171147 /nfs/dbraw/zinc/17/11/47/847171147.db2.gz ABJUBYQSIJWUDV-UHFFFAOYSA-N 2 2 376.504 3.503 20 0 GHADLP C[N@@H+](CCN(Cc1ccccc1)C(=O)CCc1[nH]cc[nH+]1)Cc1ccccc1 ZINC000501762391 847171159 /nfs/dbraw/zinc/17/11/59/847171159.db2.gz ABJUBYQSIJWUDV-UHFFFAOYSA-N 2 2 376.504 3.503 20 0 GHADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420847582 847485135 /nfs/dbraw/zinc/48/51/35/847485135.db2.gz KSPRYVKIURESLD-OAQYLSRUSA-N 2 2 380.536 3.752 20 0 GHADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420847582 847485140 /nfs/dbraw/zinc/48/51/40/847485140.db2.gz KSPRYVKIURESLD-OAQYLSRUSA-N 2 2 380.536 3.752 20 0 GHADLP OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420966953 847584773 /nfs/dbraw/zinc/58/47/73/847584773.db2.gz SDXMPXPVYRMJDK-FCHUYYIVSA-N 2 2 398.572 3.520 20 0 GHADLP OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420966953 847584783 /nfs/dbraw/zinc/58/47/83/847584783.db2.gz SDXMPXPVYRMJDK-FCHUYYIVSA-N 2 2 398.572 3.520 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3csc(-c4ccc(C)o4)n3)CC2)CC1 ZINC000420974870 847602168 /nfs/dbraw/zinc/60/21/68/847602168.db2.gz FFFROWLQVOZPON-UHFFFAOYSA-N 2 2 388.581 3.704 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3csc(-c4ccc(C)o4)n3)CC2)CC1 ZINC000420974870 847602177 /nfs/dbraw/zinc/60/21/77/847602177.db2.gz FFFROWLQVOZPON-UHFFFAOYSA-N 2 2 388.581 3.704 20 0 GHADLP c1ccc([C@@H]2[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC23CCOCC3)cc1 ZINC000420976669 847604581 /nfs/dbraw/zinc/60/45/81/847604581.db2.gz RDIJVCDIYSHKPG-DEOSSOPVSA-N 2 2 392.543 3.873 20 0 GHADLP c1ccc([C@@H]2[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC23CCOCC3)cc1 ZINC000420976669 847604591 /nfs/dbraw/zinc/60/45/91/847604591.db2.gz RDIJVCDIYSHKPG-DEOSSOPVSA-N 2 2 392.543 3.873 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3csc(-c4cccs4)n3)CC2)CC1 ZINC000421007038 847625881 /nfs/dbraw/zinc/62/58/81/847625881.db2.gz KOSWIUGDYSQLSW-UHFFFAOYSA-N 2 2 390.622 3.864 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3csc(-c4cccs4)n3)CC2)CC1 ZINC000421007038 847625886 /nfs/dbraw/zinc/62/58/86/847625886.db2.gz KOSWIUGDYSQLSW-UHFFFAOYSA-N 2 2 390.622 3.864 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)CC1 ZINC000421035439 847635451 /nfs/dbraw/zinc/63/54/51/847635451.db2.gz LXEQTSFADRVXDE-UHFFFAOYSA-N 2 2 378.948 3.672 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)CC1 ZINC000421035439 847635459 /nfs/dbraw/zinc/63/54/59/847635459.db2.gz LXEQTSFADRVXDE-UHFFFAOYSA-N 2 2 378.948 3.672 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1C ZINC000051756274 847640654 /nfs/dbraw/zinc/64/06/54/847640654.db2.gz PLLKGDYJXYHYGO-UHFFFAOYSA-N 2 2 388.556 3.505 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1C ZINC000051756274 847640657 /nfs/dbraw/zinc/64/06/57/847640657.db2.gz PLLKGDYJXYHYGO-UHFFFAOYSA-N 2 2 388.556 3.505 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503389313 847647813 /nfs/dbraw/zinc/64/78/13/847647813.db2.gz GLECZSSJACJRDD-HKUYNNGSSA-N 2 2 398.526 3.758 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503389313 847647820 /nfs/dbraw/zinc/64/78/20/847647820.db2.gz GLECZSSJACJRDD-HKUYNNGSSA-N 2 2 398.526 3.758 20 0 GHADLP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000503382614 847656746 /nfs/dbraw/zinc/65/67/46/847656746.db2.gz JEXUYHANCRKLTR-OALUTQOASA-N 2 2 386.584 3.969 20 0 GHADLP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000503382614 847656751 /nfs/dbraw/zinc/65/67/51/847656751.db2.gz JEXUYHANCRKLTR-OALUTQOASA-N 2 2 386.584 3.969 20 0 GHADLP Cc1[nH+]ccn1CCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000502321780 847733668 /nfs/dbraw/zinc/73/36/68/847733668.db2.gz RXKZIFJBQPGZRW-ZDUSSCGKSA-N 2 2 390.944 3.841 20 0 GHADLP Cc1ccc(NC(=O)CC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)nc1 ZINC000582601658 847743870 /nfs/dbraw/zinc/74/38/70/847743870.db2.gz QVUWWWFBFQFAML-FQEVSTJZSA-N 2 2 377.492 3.563 20 0 GHADLP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422697886 847772410 /nfs/dbraw/zinc/77/24/10/847772410.db2.gz WPAWDIRBCCCHLG-SFTDATJTSA-N 3 2 383.536 3.650 20 0 GHADLP Fc1ccc(Cn2cc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cn2)cc1 ZINC000502328914 847785196 /nfs/dbraw/zinc/78/51/96/847785196.db2.gz YHFDDIQNLWGSNR-FQEVSTJZSA-N 2 2 393.510 3.983 20 0 GHADLP Fc1ccc(Cn2cc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cn2)cc1 ZINC000502328914 847785201 /nfs/dbraw/zinc/78/52/01/847785201.db2.gz YHFDDIQNLWGSNR-FQEVSTJZSA-N 2 2 393.510 3.983 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCN(c3cccc(OC)c3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422898343 847876799 /nfs/dbraw/zinc/87/67/99/847876799.db2.gz DTXCGIRYRYPAJN-GLYQVZKVSA-N 2 2 395.547 3.613 20 0 GHADLP C[C@H](CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)[C@@H]1CCC[NH2+]C1 ZINC000237385447 848078458 /nfs/dbraw/zinc/07/84/58/848078458.db2.gz PGVPXLZLFXMENN-GPMSIDNRSA-N 2 2 395.950 3.586 20 0 GHADLP C[C@H](CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)[C@@H]1CCC[NH2+]C1 ZINC000237385447 848078469 /nfs/dbraw/zinc/07/84/69/848078469.db2.gz PGVPXLZLFXMENN-GPMSIDNRSA-N 2 2 395.950 3.586 20 0 GHADLP c1csc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000582725002 848146641 /nfs/dbraw/zinc/14/66/41/848146641.db2.gz BTESDYYQNGDGFA-RTBURBONSA-N 2 2 378.545 3.701 20 0 GHADLP c1csc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000582725002 848146648 /nfs/dbraw/zinc/14/66/48/848146648.db2.gz BTESDYYQNGDGFA-RTBURBONSA-N 2 2 378.545 3.701 20 0 GHADLP CC(C)C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccccn1 ZINC000162007856 848787172 /nfs/dbraw/zinc/78/71/72/848787172.db2.gz SQVXLKNMLNYJJI-JOCHJYFZSA-N 2 2 383.536 3.670 20 0 GHADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1cc2ccccc2o1 ZINC000472280470 849045508 /nfs/dbraw/zinc/04/55/08/849045508.db2.gz XSCGGQIJRHUQJF-NQIIRXRSSA-N 2 2 391.515 3.644 20 0 GHADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000472280470 849045513 /nfs/dbraw/zinc/04/55/13/849045513.db2.gz XSCGGQIJRHUQJF-NQIIRXRSSA-N 2 2 391.515 3.644 20 0 GHADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1cc2ccccc2o1 ZINC000472280470 849045522 /nfs/dbraw/zinc/04/55/22/849045522.db2.gz XSCGGQIJRHUQJF-NQIIRXRSSA-N 2 2 391.515 3.644 20 0 GHADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1cc2ccccc2o1 ZINC000472280470 849045527 /nfs/dbraw/zinc/04/55/27/849045527.db2.gz XSCGGQIJRHUQJF-NQIIRXRSSA-N 2 2 391.515 3.644 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1nccc2ccccc21 ZINC000583232838 849391681 /nfs/dbraw/zinc/39/16/81/849391681.db2.gz FYCRJOZJBWAZBZ-AVCGJXAMSA-N 2 2 375.516 3.768 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1nccc2ccccc21 ZINC000583232838 849391694 /nfs/dbraw/zinc/39/16/94/849391694.db2.gz FYCRJOZJBWAZBZ-AVCGJXAMSA-N 2 2 375.516 3.768 20 0 GHADLP Clc1cc(Cl)c2c(c1)C=C(C[NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CO2 ZINC000657750234 849599528 /nfs/dbraw/zinc/59/95/28/849599528.db2.gz FCBHFJVKXQMZFW-KRWDZBQOSA-N 2 2 383.319 3.612 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000423098941 849742530 /nfs/dbraw/zinc/74/25/30/849742530.db2.gz DLZGHAKLZCQMMI-RIGAPWLVSA-N 3 2 391.987 3.611 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423098941 849742543 /nfs/dbraw/zinc/74/25/43/849742543.db2.gz DLZGHAKLZCQMMI-RIGAPWLVSA-N 3 2 391.987 3.611 20 0 GHADLP C[C@@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423187407 849795249 /nfs/dbraw/zinc/79/52/49/849795249.db2.gz PHDYOZHDKBINTO-BEFAXECRSA-N 2 2 380.374 3.534 20 0 GHADLP C[C@@H](NC1CC[NH+](Cc2cccc(Br)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423187407 849795254 /nfs/dbraw/zinc/79/52/54/849795254.db2.gz PHDYOZHDKBINTO-BEFAXECRSA-N 2 2 380.374 3.534 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000423325427 849866356 /nfs/dbraw/zinc/86/63/56/849866356.db2.gz IQDULGAQIOWZJN-HARLFGEKSA-N 2 2 395.547 3.764 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423432079 849928792 /nfs/dbraw/zinc/92/87/92/849928792.db2.gz JBWPEDLYCUXYNF-TYCQWZJGSA-N 2 2 380.536 3.766 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423432079 849928793 /nfs/dbraw/zinc/92/87/93/849928793.db2.gz JBWPEDLYCUXYNF-TYCQWZJGSA-N 2 2 380.536 3.766 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000647934058 850086110 /nfs/dbraw/zinc/08/61/10/850086110.db2.gz DVMHLJHATXQDRV-TZIWHRDSSA-N 2 2 379.552 3.663 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000647934058 850086126 /nfs/dbraw/zinc/08/61/26/850086126.db2.gz DVMHLJHATXQDRV-TZIWHRDSSA-N 2 2 379.552 3.663 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000283058829 850232168 /nfs/dbraw/zinc/23/21/68/850232168.db2.gz WJZKUIRKNDPTGB-UXHICEINSA-N 2 2 395.551 3.599 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000283058829 850232181 /nfs/dbraw/zinc/23/21/81/850232181.db2.gz WJZKUIRKNDPTGB-UXHICEINSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@@H]([NH2+]CCNC(=O)CCCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000424314493 850356362 /nfs/dbraw/zinc/35/63/62/850356362.db2.gz BDBFWXDKANEZBE-LJQANCHMSA-N 2 2 376.504 3.662 20 0 GHADLP Fc1cc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000435370748 850438421 /nfs/dbraw/zinc/43/84/21/850438421.db2.gz JOSRLBHXABUJJX-KRWDZBQOSA-N 2 2 379.426 3.966 20 0 GHADLP Fc1cc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000435370748 850438425 /nfs/dbraw/zinc/43/84/25/850438425.db2.gz JOSRLBHXABUJJX-KRWDZBQOSA-N 2 2 379.426 3.966 20 0 GHADLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CCO1 ZINC000668784203 850771398 /nfs/dbraw/zinc/77/13/98/850771398.db2.gz CGVRDSSSPOENIK-JOCHJYFZSA-N 2 2 396.579 3.768 20 0 GHADLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CCO1 ZINC000668784203 850771406 /nfs/dbraw/zinc/77/14/06/850771406.db2.gz CGVRDSSSPOENIK-JOCHJYFZSA-N 2 2 396.579 3.768 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000505278538 850781652 /nfs/dbraw/zinc/78/16/52/850781652.db2.gz KRWAOLQJNBKXNK-UHFFFAOYSA-N 2 2 380.536 3.909 20 0 GHADLP CC(C)[C@@H](CNc1cc[nH+]c2c(Br)cccc12)[NH+]1CCOCC1 ZINC000522627106 862177184 /nfs/dbraw/zinc/17/71/84/862177184.db2.gz NXAOJAYGTRAPEC-QGZVFWFLSA-N 2 2 378.314 3.766 20 0 GHADLP Cc1ncsc1C[N@H+](CCOc1ccccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC000436046608 851145902 /nfs/dbraw/zinc/14/59/02/851145902.db2.gz BGZBRFOKCGYLRI-HNNXBMFYSA-N 2 2 399.482 3.961 20 0 GHADLP Cc1ncsc1C[N@@H+](CCOc1ccccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC000436046608 851145909 /nfs/dbraw/zinc/14/59/09/851145909.db2.gz BGZBRFOKCGYLRI-HNNXBMFYSA-N 2 2 399.482 3.961 20 0 GHADLP Cc1ccn2c(C[NH+]3CCC4(C[C@H]4[N@H+](C)Cc4nccs4)CC3)cnc2c1 ZINC000434537895 851232040 /nfs/dbraw/zinc/23/20/40/851232040.db2.gz NOCVLYZNTXGEFJ-GOSISDBHSA-N 2 2 381.549 3.586 20 0 GHADLP Cc1ccn2c(C[NH+]3CCC4(C[C@H]4[N@@H+](C)Cc4nccs4)CC3)cnc2c1 ZINC000434537895 851232049 /nfs/dbraw/zinc/23/20/49/851232049.db2.gz NOCVLYZNTXGEFJ-GOSISDBHSA-N 2 2 381.549 3.586 20 0 GHADLP CCC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000625518438 862224911 /nfs/dbraw/zinc/22/49/11/862224911.db2.gz AZEKTFVXXYDINW-UYAOXDASSA-N 2 2 377.960 3.508 20 0 GHADLP CCC[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000625518438 862224930 /nfs/dbraw/zinc/22/49/30/862224930.db2.gz AZEKTFVXXYDINW-UYAOXDASSA-N 2 2 377.960 3.508 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000489367756 852256167 /nfs/dbraw/zinc/25/61/67/852256167.db2.gz WMQAEUFLNUJVKK-SBHAEUEKSA-N 2 2 386.584 3.703 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000489367756 852256180 /nfs/dbraw/zinc/25/61/80/852256180.db2.gz WMQAEUFLNUJVKK-SBHAEUEKSA-N 2 2 386.584 3.703 20 0 GHADLP C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[N@@H+]1CCCC[C@H]1C ZINC000426030547 852453836 /nfs/dbraw/zinc/45/38/36/852453836.db2.gz UQJMYXQJNRVJFC-UBBRYJJRSA-N 2 2 395.551 3.674 20 0 GHADLP C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[N@H+]1CCCC[C@H]1C ZINC000426030547 852453842 /nfs/dbraw/zinc/45/38/42/852453842.db2.gz UQJMYXQJNRVJFC-UBBRYJJRSA-N 2 2 395.551 3.674 20 0 GHADLP C[C@H](CC1CCCCC1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000426055515 852551312 /nfs/dbraw/zinc/55/13/12/852551312.db2.gz RVZGEKFZVDVHGG-LJQANCHMSA-N 2 2 378.605 3.595 20 0 GHADLP COC[C@]1(C[NH2+]Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)CCC[NH2+]1 ZINC000414944392 852768407 /nfs/dbraw/zinc/76/84/07/852768407.db2.gz NXZZPMGBPBKZTL-OAQYLSRUSA-N 2 2 390.959 3.817 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)N(C)CCCn1cc[nH+]c1)c1ccccc1Cl ZINC000426237455 853105092 /nfs/dbraw/zinc/10/50/92/853105092.db2.gz IUYKRQKBIMTIFQ-IBGZPJMESA-N 2 2 391.947 3.651 20 0 GHADLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439060891 853228477 /nfs/dbraw/zinc/22/84/77/853228477.db2.gz KTULOIXYFYMUBZ-MJGOQNOKSA-N 2 2 393.535 3.977 20 0 GHADLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439060891 853228488 /nfs/dbraw/zinc/22/84/88/853228488.db2.gz KTULOIXYFYMUBZ-MJGOQNOKSA-N 2 2 393.535 3.977 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000439080439 853253864 /nfs/dbraw/zinc/25/38/64/853253864.db2.gz UWBLHSONTIGOLC-KRWDZBQOSA-N 2 2 381.520 3.969 20 0 GHADLP CCC1(CC)CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000506527598 853455883 /nfs/dbraw/zinc/45/58/83/853455883.db2.gz ZLTNGKJBARNGQP-UHFFFAOYSA-N 2 2 398.595 3.833 20 0 GHADLP c1ccc(OCCCCNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)cc1 ZINC000437773021 853514365 /nfs/dbraw/zinc/51/43/65/853514365.db2.gz JTCZRLPBEWDDAJ-UHFFFAOYSA-N 2 2 394.519 3.709 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000440823921 853676672 /nfs/dbraw/zinc/67/66/72/853676672.db2.gz HFPWCHWRPPHJLS-URVUXULASA-N 2 2 397.567 3.803 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c(C)c1 ZINC000440823921 853676677 /nfs/dbraw/zinc/67/66/77/853676677.db2.gz HFPWCHWRPPHJLS-URVUXULASA-N 2 2 397.567 3.803 20 0 GHADLP CN(C(=O)Nc1ccc(Cl)nc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178929238 853838773 /nfs/dbraw/zinc/83/87/73/853838773.db2.gz APRFAGRLCJWGPH-MSOLQXFVSA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1ccc(Cl)nc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178929238 853838778 /nfs/dbraw/zinc/83/87/78/853838778.db2.gz APRFAGRLCJWGPH-MSOLQXFVSA-N 2 2 393.963 3.536 20 0 GHADLP [NH3+][C@@H](CCC(=O)Nc1ccccc1OCCn1cc[nH+]c1)CC1CCCCC1 ZINC000571448957 853879889 /nfs/dbraw/zinc/87/98/89/853879889.db2.gz DGPJIWKQGRTNEJ-IBGZPJMESA-N 2 2 384.524 3.979 20 0 GHADLP CC(C)[C@@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@H](C)[NH3+] ZINC000571796018 854158178 /nfs/dbraw/zinc/15/81/78/854158178.db2.gz TYZKIGVVPXDALS-FDDCHVKYSA-N 2 2 390.531 3.834 20 0 GHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441406290 854202791 /nfs/dbraw/zinc/20/27/91/854202791.db2.gz XMTLXROCSOVNRC-JTHBVZDNSA-N 2 2 383.580 3.682 20 0 GHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441406290 854202797 /nfs/dbraw/zinc/20/27/97/854202797.db2.gz XMTLXROCSOVNRC-JTHBVZDNSA-N 2 2 383.580 3.682 20 0 GHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441406290 854202801 /nfs/dbraw/zinc/20/28/01/854202801.db2.gz XMTLXROCSOVNRC-JTHBVZDNSA-N 2 2 383.580 3.682 20 0 GHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441406290 854202809 /nfs/dbraw/zinc/20/28/09/854202809.db2.gz XMTLXROCSOVNRC-JTHBVZDNSA-N 2 2 383.580 3.682 20 0 GHADLP CCC(CC)[C@@H](CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)[NH+]1CCCC1 ZINC000550330379 854220245 /nfs/dbraw/zinc/22/02/45/854220245.db2.gz APAKOOSPJCNPPD-JOCHJYFZSA-N 2 2 397.567 3.631 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000588276414 854265882 /nfs/dbraw/zinc/26/58/82/854265882.db2.gz VJOGFNRMPRGMJJ-SFHVURJKSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000588276414 854265886 /nfs/dbraw/zinc/26/58/86/854265886.db2.gz VJOGFNRMPRGMJJ-SFHVURJKSA-N 2 2 395.551 3.873 20 0 GHADLP CC(C)c1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc2n1 ZINC000050800885 854359417 /nfs/dbraw/zinc/35/94/17/854359417.db2.gz VREQAIYDOSORBB-UHFFFAOYSA-N 2 2 394.563 3.647 20 0 GHADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc4ccccc4n3C(F)F)CC2)C[C@H](C)O1 ZINC000588709718 854369533 /nfs/dbraw/zinc/36/95/33/854369533.db2.gz CXPZNNMYQKDYNE-HOTGVXAUSA-N 2 2 392.494 3.753 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000536303218 854684991 /nfs/dbraw/zinc/68/49/91/854684991.db2.gz VIBOXSANBWKEPW-QZTJIDSGSA-N 2 2 384.351 3.513 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000536303218 854684999 /nfs/dbraw/zinc/68/49/99/854684999.db2.gz VIBOXSANBWKEPW-QZTJIDSGSA-N 2 2 384.351 3.513 20 0 GHADLP Cc1cc(Br)ccc1N1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168389089 854805303 /nfs/dbraw/zinc/80/53/03/854805303.db2.gz JYNODXNJGYQATF-UHFFFAOYSA-N 2 2 392.385 3.754 20 0 GHADLP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(OCCC)c1 ZINC000765793503 854826060 /nfs/dbraw/zinc/82/60/60/854826060.db2.gz ZAFHRDJTKBMQOC-NLWGTHIKSA-N 2 2 376.541 3.778 20 0 GHADLP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(OCCC)c1 ZINC000765793503 854826065 /nfs/dbraw/zinc/82/60/65/854826065.db2.gz ZAFHRDJTKBMQOC-NLWGTHIKSA-N 2 2 376.541 3.778 20 0 GHADLP Cc1[nH]c(-c2ccc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)cc2)[nH+]c1C ZINC000921653793 855042868 /nfs/dbraw/zinc/04/28/68/855042868.db2.gz HHYMEDBSLHRHBU-IBGZPJMESA-N 2 2 384.549 3.850 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H](C)c2ccccc2)CC1 ZINC000589705614 855115876 /nfs/dbraw/zinc/11/58/76/855115876.db2.gz HXNYGDRJFXWZIV-NHCUHLMSSA-N 2 2 379.548 3.627 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H](C)c2ccccc2)CC1 ZINC000589705614 855115880 /nfs/dbraw/zinc/11/58/80/855115880.db2.gz HXNYGDRJFXWZIV-NHCUHLMSSA-N 2 2 379.548 3.627 20 0 GHADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000536371450 855169073 /nfs/dbraw/zinc/16/90/73/855169073.db2.gz WYKRALJNIOMLJH-HZPDHXFCSA-N 2 2 386.927 3.877 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000590155731 855301604 /nfs/dbraw/zinc/30/16/04/855301604.db2.gz YOIHWOXFMNOYMG-GHTZIAJQSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000590155731 855301613 /nfs/dbraw/zinc/30/16/13/855301613.db2.gz YOIHWOXFMNOYMG-GHTZIAJQSA-N 2 2 395.551 3.873 20 0 GHADLP C[NH+](C)CCCOc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000107385659 855426920 /nfs/dbraw/zinc/42/69/20/855426920.db2.gz WVLBUZHGMKSJKH-UHFFFAOYSA-N 2 2 393.491 3.525 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3[C@H](C)C[N@@H+](Cc4ccccc4)C[C@@H]3C)ccn12 ZINC000572973527 855448249 /nfs/dbraw/zinc/44/82/49/855448249.db2.gz ZXFGYWQXWDPSRP-YPGOJHLTSA-N 2 2 376.504 3.529 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3[C@H](C)C[N@H+](Cc4ccccc4)C[C@@H]3C)ccn12 ZINC000572973527 855448252 /nfs/dbraw/zinc/44/82/52/855448252.db2.gz ZXFGYWQXWDPSRP-YPGOJHLTSA-N 2 2 376.504 3.529 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590851822 855615678 /nfs/dbraw/zinc/61/56/78/855615678.db2.gz UISZZRBFPQYCRY-DENIHFKCSA-N 2 2 395.551 3.804 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590851822 855615683 /nfs/dbraw/zinc/61/56/83/855615683.db2.gz UISZZRBFPQYCRY-DENIHFKCSA-N 2 2 395.551 3.804 20 0 GHADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000591140030 855775605 /nfs/dbraw/zinc/77/56/05/855775605.db2.gz YRVDKPBXYDHUBV-RTWAWAEBSA-N 2 2 397.588 3.838 20 0 GHADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000591140030 855775607 /nfs/dbraw/zinc/77/56/07/855775607.db2.gz YRVDKPBXYDHUBV-RTWAWAEBSA-N 2 2 397.588 3.838 20 0 GHADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000591140030 855775613 /nfs/dbraw/zinc/77/56/13/855775613.db2.gz YRVDKPBXYDHUBV-RTWAWAEBSA-N 2 2 397.588 3.838 20 0 GHADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000591140030 855775621 /nfs/dbraw/zinc/77/56/21/855775621.db2.gz YRVDKPBXYDHUBV-RTWAWAEBSA-N 2 2 397.588 3.838 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000482121809 862732497 /nfs/dbraw/zinc/73/24/97/862732497.db2.gz LYUFFTGQUVOVSJ-ONTIZHBOSA-N 3 2 393.641 3.687 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000482121809 862732504 /nfs/dbraw/zinc/73/25/04/862732504.db2.gz LYUFFTGQUVOVSJ-ONTIZHBOSA-N 3 2 393.641 3.687 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000482121809 862732511 /nfs/dbraw/zinc/73/25/11/862732511.db2.gz LYUFFTGQUVOVSJ-ONTIZHBOSA-N 3 2 393.641 3.687 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000482121809 862732516 /nfs/dbraw/zinc/73/25/16/862732516.db2.gz LYUFFTGQUVOVSJ-ONTIZHBOSA-N 3 2 393.641 3.687 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000591450939 855994502 /nfs/dbraw/zinc/99/45/02/855994502.db2.gz RRHICFSWLRAVHP-IBGZPJMESA-N 2 2 396.535 3.614 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000591450939 855994506 /nfs/dbraw/zinc/99/45/06/855994506.db2.gz RRHICFSWLRAVHP-IBGZPJMESA-N 2 2 396.535 3.614 20 0 GHADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(-c4cccs4)on3)CC2)C[C@H](C)O1 ZINC000171307092 856085779 /nfs/dbraw/zinc/08/57/79/856085779.db2.gz WWYLUCNFNVWRIC-HOTGVXAUSA-N 2 2 375.538 3.724 20 0 GHADLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000760839840 856142575 /nfs/dbraw/zinc/14/25/75/856142575.db2.gz DCVUCZXFJKTZDH-RPWUZVMVSA-N 2 2 391.559 3.632 20 0 GHADLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000760839840 856142579 /nfs/dbraw/zinc/14/25/79/856142579.db2.gz DCVUCZXFJKTZDH-RPWUZVMVSA-N 2 2 391.559 3.632 20 0 GHADLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000760839840 856142584 /nfs/dbraw/zinc/14/25/84/856142584.db2.gz DCVUCZXFJKTZDH-RPWUZVMVSA-N 2 2 391.559 3.632 20 0 GHADLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000760839840 856142589 /nfs/dbraw/zinc/14/25/89/856142589.db2.gz DCVUCZXFJKTZDH-RPWUZVMVSA-N 2 2 391.559 3.632 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)CC[C@H](O)c2ccccc2)c(C)c1 ZINC000905182096 856188764 /nfs/dbraw/zinc/18/87/64/856188764.db2.gz WMKGOOZJYUQGPN-XWGVYQGASA-N 2 2 393.531 3.706 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674362699 856212074 /nfs/dbraw/zinc/21/20/74/856212074.db2.gz AEORDCBFMGYIJG-SFHVURJKSA-N 2 2 396.535 3.683 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674362699 856212081 /nfs/dbraw/zinc/21/20/81/856212081.db2.gz AEORDCBFMGYIJG-SFHVURJKSA-N 2 2 396.535 3.683 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674362699 856212098 /nfs/dbraw/zinc/21/20/98/856212098.db2.gz AEORDCBFMGYIJG-SFHVURJKSA-N 2 2 396.535 3.683 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674362699 856212107 /nfs/dbraw/zinc/21/21/07/856212107.db2.gz AEORDCBFMGYIJG-SFHVURJKSA-N 2 2 396.535 3.683 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc2c(c1)CCCC2 ZINC000156446570 856288883 /nfs/dbraw/zinc/28/88/83/856288883.db2.gz DUKFYTGSNZGOGX-SPEDKVCISA-N 2 2 380.536 3.522 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc2c(c1)CCCC2 ZINC000156446570 856288893 /nfs/dbraw/zinc/28/88/93/856288893.db2.gz DUKFYTGSNZGOGX-SPEDKVCISA-N 2 2 380.536 3.522 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000485350402 856377347 /nfs/dbraw/zinc/37/73/47/856377347.db2.gz MPGSZTJASWIWSL-LAUBAEHRSA-N 2 2 381.520 3.636 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000485350402 856377359 /nfs/dbraw/zinc/37/73/59/856377359.db2.gz MPGSZTJASWIWSL-LAUBAEHRSA-N 2 2 381.520 3.636 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000485350402 856377368 /nfs/dbraw/zinc/37/73/68/856377368.db2.gz MPGSZTJASWIWSL-LAUBAEHRSA-N 2 2 381.520 3.636 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000485350402 856377380 /nfs/dbraw/zinc/37/73/80/856377380.db2.gz MPGSZTJASWIWSL-LAUBAEHRSA-N 2 2 381.520 3.636 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)cc1 ZINC000665255131 857060056 /nfs/dbraw/zinc/06/00/56/857060056.db2.gz JTAXDEZSKMSOGF-GMWOSMDTSA-N 2 2 381.520 3.840 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000665257837 857160799 /nfs/dbraw/zinc/16/07/99/857160799.db2.gz WHQHYHNZTUFPNT-UJUVCNOISA-N 2 2 396.510 3.906 20 0 GHADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3CCc4c[nH+]cn4C3)c2c1C ZINC000672324797 857166252 /nfs/dbraw/zinc/16/62/52/857166252.db2.gz JQNWCPZYFDKAKD-OAHLLOKOSA-N 2 2 382.537 3.527 20 0 GHADLP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658293702 857255577 /nfs/dbraw/zinc/25/55/77/857255577.db2.gz IXMXORVOVPDZCF-AEFFLSMTSA-N 2 2 395.341 3.506 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000658292753 857263198 /nfs/dbraw/zinc/26/31/98/857263198.db2.gz AZCIERWHLITEJU-ZQIUZPCESA-N 2 2 387.351 3.992 20 0 GHADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccc2ccccc21 ZINC000675499575 857476177 /nfs/dbraw/zinc/47/61/77/857476177.db2.gz MJCZMEZBUVJWRH-MOPGFXCFSA-N 2 2 388.515 3.623 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000675786947 857613374 /nfs/dbraw/zinc/61/33/74/857613374.db2.gz MMLDPXBKTBWNPS-QTJGBDASSA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000675786947 857613376 /nfs/dbraw/zinc/61/33/76/857613376.db2.gz MMLDPXBKTBWNPS-QTJGBDASSA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000675786947 857613377 /nfs/dbraw/zinc/61/33/77/857613377.db2.gz MMLDPXBKTBWNPS-QTJGBDASSA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000675786947 857613379 /nfs/dbraw/zinc/61/33/79/857613379.db2.gz MMLDPXBKTBWNPS-QTJGBDASSA-N 3 2 387.612 3.625 20 0 GHADLP COCC[N@H+](C)CC[C@H](Nc1cc(N2CCC[C@@H](C)C2)nc[nH+]1)c1ccccc1 ZINC000521118649 857616326 /nfs/dbraw/zinc/61/63/26/857616326.db2.gz GZZGBVMTDVABBE-CTNGQTDRSA-N 2 2 397.567 3.834 20 0 GHADLP COCC[N@@H+](C)CC[C@H](Nc1cc(N2CCC[C@@H](C)C2)nc[nH+]1)c1ccccc1 ZINC000521118649 857616330 /nfs/dbraw/zinc/61/63/30/857616330.db2.gz GZZGBVMTDVABBE-CTNGQTDRSA-N 2 2 397.567 3.834 20 0 GHADLP COCC[N@H+](C)CC[C@H](Nc1cc(N2CCC[C@@H](C)C2)[nH+]cn1)c1ccccc1 ZINC000521118649 857616337 /nfs/dbraw/zinc/61/63/37/857616337.db2.gz GZZGBVMTDVABBE-CTNGQTDRSA-N 2 2 397.567 3.834 20 0 GHADLP COCC[N@@H+](C)CC[C@H](Nc1cc(N2CCC[C@@H](C)C2)[nH+]cn1)c1ccccc1 ZINC000521118649 857616339 /nfs/dbraw/zinc/61/63/39/857616339.db2.gz GZZGBVMTDVABBE-CTNGQTDRSA-N 2 2 397.567 3.834 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000442231968 857625258 /nfs/dbraw/zinc/62/52/58/857625258.db2.gz BFNKSWHXKLBVRZ-UNMCSNQZSA-N 2 2 397.567 3.805 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000442231968 857625264 /nfs/dbraw/zinc/62/52/64/857625264.db2.gz BFNKSWHXKLBVRZ-UNMCSNQZSA-N 2 2 397.567 3.805 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cc(-c4ccccc4)n[nH]3)[nH+]c2)CC1 ZINC000676201776 857783272 /nfs/dbraw/zinc/78/32/72/857783272.db2.gz KYPFBEKWPFNPFZ-UHFFFAOYSA-N 2 2 376.508 3.614 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cn3cc(C)ccc3n2)CC1 ZINC000181642951 862953362 /nfs/dbraw/zinc/95/33/62/862953362.db2.gz NNZBHFGNDVMRPH-GOSISDBHSA-N 2 2 395.526 3.775 20 0 GHADLP C[N@H+](CCCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C1CCCCC1 ZINC000543037798 858026990 /nfs/dbraw/zinc/02/69/90/858026990.db2.gz YDGFTROPJWOFEA-UHFFFAOYSA-N 2 2 389.588 3.740 20 0 GHADLP C[N@@H+](CCCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C1CCCCC1 ZINC000543037798 858027000 /nfs/dbraw/zinc/02/70/00/858027000.db2.gz YDGFTROPJWOFEA-UHFFFAOYSA-N 2 2 389.588 3.740 20 0 GHADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000543060246 858135600 /nfs/dbraw/zinc/13/56/00/858135600.db2.gz DCMMREGLUUOEDG-JOCHJYFZSA-N 2 2 380.536 3.569 20 0 GHADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543063774 858146565 /nfs/dbraw/zinc/14/65/65/858146565.db2.gz SQSOODQQIYOMJS-JOCHJYFZSA-N 2 2 382.552 3.985 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000574819929 858330642 /nfs/dbraw/zinc/33/06/42/858330642.db2.gz KUBDSGODEWCPIS-RXVVDRJESA-N 2 2 390.487 3.598 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000574819929 858330645 /nfs/dbraw/zinc/33/06/45/858330645.db2.gz KUBDSGODEWCPIS-RXVVDRJESA-N 2 2 390.487 3.598 20 0 GHADLP Cc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc2cccnc12 ZINC000543141244 858581454 /nfs/dbraw/zinc/58/14/54/858581454.db2.gz SEQNPZITIANPRV-UHFFFAOYSA-N 2 2 375.520 3.503 20 0 GHADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000575097833 858585105 /nfs/dbraw/zinc/58/51/05/858585105.db2.gz PPXKWAMECLTOSJ-BVSLBCMMSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000575097833 858585110 /nfs/dbraw/zinc/58/51/10/858585110.db2.gz PPXKWAMECLTOSJ-BVSLBCMMSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000575097833 858585116 /nfs/dbraw/zinc/58/51/16/858585116.db2.gz PPXKWAMECLTOSJ-BVSLBCMMSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000575097833 858585120 /nfs/dbraw/zinc/58/51/20/858585120.db2.gz PPXKWAMECLTOSJ-BVSLBCMMSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1cccc(-c2nnc([C@@H](C)[NH+]3CCC(N4CC[NH+](C(C)C)CC4)CC3)o2)c1 ZINC000761128293 858649314 /nfs/dbraw/zinc/64/93/14/858649314.db2.gz UYRJXIMIQLBFFL-LJQANCHMSA-N 2 2 397.567 3.596 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)c(Cl)c1Cl ZINC000482638803 858712887 /nfs/dbraw/zinc/71/28/87/858712887.db2.gz CCRKTBSQYNHZFD-GWCFXTLKSA-N 2 2 378.731 3.637 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)c(Cl)c1Cl ZINC000482638803 858712892 /nfs/dbraw/zinc/71/28/92/858712892.db2.gz CCRKTBSQYNHZFD-GWCFXTLKSA-N 2 2 378.731 3.637 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000482643624 858717941 /nfs/dbraw/zinc/71/79/41/858717941.db2.gz PWPQBZWHNKGLPR-UZLBHIALSA-N 2 2 385.483 3.608 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000482643624 858717945 /nfs/dbraw/zinc/71/79/45/858717945.db2.gz PWPQBZWHNKGLPR-UZLBHIALSA-N 2 2 385.483 3.608 20 0 GHADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000183349369 858724928 /nfs/dbraw/zinc/72/49/28/858724928.db2.gz JQHFAGPYUSTOBQ-LJQANCHMSA-N 2 2 396.531 3.596 20 0 GHADLP COc1cc(Cl)ccc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000482714112 858786906 /nfs/dbraw/zinc/78/69/06/858786906.db2.gz BZJIWAUKOGWXRM-UHFFFAOYSA-N 3 2 394.003 3.977 20 0 GHADLP COc1cc(Cl)ccc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000482714112 858786910 /nfs/dbraw/zinc/78/69/10/858786910.db2.gz BZJIWAUKOGWXRM-UHFFFAOYSA-N 3 2 394.003 3.977 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCC1)c1ccccc1 ZINC000522230065 858856587 /nfs/dbraw/zinc/85/65/87/858856587.db2.gz XVUWUHOGQIWWTA-QUCCMNQESA-N 2 2 395.551 3.962 20 0 GHADLP Fc1ccc(Br)c2[nH+]ccc(NC3CC[NH+](CC4CC4)CC3)c12 ZINC000443511060 858857506 /nfs/dbraw/zinc/85/75/06/858857506.db2.gz RUIMUAWLRWIXDO-UHFFFAOYSA-N 2 2 378.289 3.845 20 0 GHADLP Oc1ccc(C2=CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000509309458 859009418 /nfs/dbraw/zinc/00/94/18/859009418.db2.gz DZEQEOXRECBQJB-UHFFFAOYSA-N 2 2 377.532 3.694 20 0 GHADLP Oc1ccc(C2=CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000509309458 859009421 /nfs/dbraw/zinc/00/94/21/859009421.db2.gz DZEQEOXRECBQJB-UHFFFAOYSA-N 2 2 377.532 3.694 20 0 GHADLP CC(C)CSCCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000443620468 859070101 /nfs/dbraw/zinc/07/01/01/859070101.db2.gz DLVHXVQMWXMVGI-NRFANRHFSA-N 2 2 390.641 3.695 20 0 GHADLP CC(C)CSCCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000443620468 859070111 /nfs/dbraw/zinc/07/01/11/859070111.db2.gz DLVHXVQMWXMVGI-NRFANRHFSA-N 2 2 390.641 3.695 20 0 GHADLP Fc1cccc(F)c1-c1nc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)co1 ZINC000443633752 859093375 /nfs/dbraw/zinc/09/33/75/859093375.db2.gz SVZIJOQXPKQCLX-UHFFFAOYSA-N 2 2 391.462 3.554 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1nc2ccc(F)cc2s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185767689 859127014 /nfs/dbraw/zinc/12/70/14/859127014.db2.gz YVFMREMZGKCVMN-ZIAGYGMSSA-N 2 2 390.528 3.617 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1nc2ccc(F)cc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185767689 859127019 /nfs/dbraw/zinc/12/70/19/859127019.db2.gz YVFMREMZGKCVMN-ZIAGYGMSSA-N 2 2 390.528 3.617 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923343855 859242458 /nfs/dbraw/zinc/24/24/58/859242458.db2.gz YAOFCSMRIFFQOT-MRXNPFEDSA-N 2 2 384.471 3.645 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923343855 859242464 /nfs/dbraw/zinc/24/24/64/859242464.db2.gz YAOFCSMRIFFQOT-MRXNPFEDSA-N 2 2 384.471 3.645 20 0 GHADLP C[NH+](C)CCOC1CC[NH+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000483259681 859253148 /nfs/dbraw/zinc/25/31/48/859253148.db2.gz MWSCZEBJNADGCY-UHFFFAOYSA-N 2 2 381.767 3.707 20 0 GHADLP CN(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472129 859283199 /nfs/dbraw/zinc/28/31/99/859283199.db2.gz DQYGVKJGYHCLDV-FQEVSTJZSA-N 2 2 396.579 3.706 20 0 GHADLP CN(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472129 859283211 /nfs/dbraw/zinc/28/32/11/859283211.db2.gz DQYGVKJGYHCLDV-FQEVSTJZSA-N 2 2 396.579 3.706 20 0 GHADLP CN(C(=O)c1ccccc1Nc1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478595 859291265 /nfs/dbraw/zinc/29/12/65/859291265.db2.gz PMNKOQUDXILNJE-OAQYLSRUSA-N 2 2 392.547 3.671 20 0 GHADLP CN(C(=O)c1ccccc1Nc1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478595 859291275 /nfs/dbraw/zinc/29/12/75/859291275.db2.gz PMNKOQUDXILNJE-OAQYLSRUSA-N 2 2 392.547 3.671 20 0 GHADLP COc1cccc2c1CCC[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000194866699 859324579 /nfs/dbraw/zinc/32/45/79/859324579.db2.gz OFMNYTLBNQCWNO-HSZRJFAPSA-N 2 2 396.531 3.573 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000069162688 859372892 /nfs/dbraw/zinc/37/28/92/859372892.db2.gz ZEYFZHMSWUJMMM-JOCHJYFZSA-N 2 2 383.511 3.775 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000069162688 859372904 /nfs/dbraw/zinc/37/29/04/859372904.db2.gz ZEYFZHMSWUJMMM-JOCHJYFZSA-N 2 2 383.511 3.775 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c(F)c1 ZINC000597223378 859374518 /nfs/dbraw/zinc/37/45/18/859374518.db2.gz WJGPCNMQTUDQGW-FQEVSTJZSA-N 2 2 382.479 3.899 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c(F)c1 ZINC000597223378 859374528 /nfs/dbraw/zinc/37/45/28/859374528.db2.gz WJGPCNMQTUDQGW-FQEVSTJZSA-N 2 2 382.479 3.899 20 0 GHADLP COC(=O)c1sc2cccc(F)c2c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483480880 859403171 /nfs/dbraw/zinc/40/31/71/859403171.db2.gz XLELPPWIMNQDNT-BBRMVZONSA-N 2 2 376.497 3.743 20 0 GHADLP COC(=O)c1sc2cccc(F)c2c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483480880 859403173 /nfs/dbraw/zinc/40/31/73/859403173.db2.gz XLELPPWIMNQDNT-BBRMVZONSA-N 2 2 376.497 3.743 20 0 GHADLP COC(=O)c1sc2cccc(F)c2c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000483480880 859403175 /nfs/dbraw/zinc/40/31/75/859403175.db2.gz XLELPPWIMNQDNT-BBRMVZONSA-N 2 2 376.497 3.743 20 0 GHADLP COC(=O)c1sc2cccc(F)c2c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000483480880 859403178 /nfs/dbraw/zinc/40/31/78/859403178.db2.gz XLELPPWIMNQDNT-BBRMVZONSA-N 2 2 376.497 3.743 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC[C@@H]21 ZINC000483484627 859406524 /nfs/dbraw/zinc/40/65/24/859406524.db2.gz JORWQGYBXWKNGA-COPCDDAFSA-N 2 2 381.495 3.922 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC[C@@H]21 ZINC000483484627 859406530 /nfs/dbraw/zinc/40/65/30/859406530.db2.gz JORWQGYBXWKNGA-COPCDDAFSA-N 2 2 381.495 3.922 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC[C@@H]21 ZINC000483484627 859406540 /nfs/dbraw/zinc/40/65/40/859406540.db2.gz JORWQGYBXWKNGA-COPCDDAFSA-N 2 2 381.495 3.922 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC[C@@H]21 ZINC000483484627 859406548 /nfs/dbraw/zinc/40/65/48/859406548.db2.gz JORWQGYBXWKNGA-COPCDDAFSA-N 2 2 381.495 3.922 20 0 GHADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000483623788 859496078 /nfs/dbraw/zinc/49/60/78/859496078.db2.gz MTDWFLZUXGWCAP-QIJUGHKUSA-N 2 2 395.551 3.675 20 0 GHADLP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117636197 859543655 /nfs/dbraw/zinc/54/36/55/859543655.db2.gz AHPHQVALXWNWLN-UHFFFAOYSA-N 2 2 392.528 3.716 20 0 GHADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000597444745 859555192 /nfs/dbraw/zinc/55/51/92/859555192.db2.gz WXOYAOOWTLNQGQ-HXUWFJFHSA-N 2 2 387.572 3.618 20 0 GHADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000597444745 859555198 /nfs/dbraw/zinc/55/51/98/859555198.db2.gz WXOYAOOWTLNQGQ-HXUWFJFHSA-N 2 2 387.572 3.618 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cnn(-c2ccccc2)c1 ZINC000764772039 859604833 /nfs/dbraw/zinc/60/48/33/859604833.db2.gz WWGVHCIUVDYOCT-NRFANRHFSA-N 2 2 389.547 3.735 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C[C@@H]1C(F)(F)F ZINC001168537515 859814309 /nfs/dbraw/zinc/81/43/09/859814309.db2.gz DMPYZYUJZYLGLC-HUUCEWRRSA-N 2 2 398.429 3.754 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1OC(F)F ZINC000484139273 859826949 /nfs/dbraw/zinc/82/69/49/859826949.db2.gz DXMFRIOHWGGOPO-ILZDJORESA-N 2 2 390.474 3.822 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1OC(F)F ZINC000484139273 859826957 /nfs/dbraw/zinc/82/69/57/859826957.db2.gz DXMFRIOHWGGOPO-ILZDJORESA-N 2 2 390.474 3.822 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1Cn1cccn1 ZINC000765251344 859866915 /nfs/dbraw/zinc/86/69/15/859866915.db2.gz OUZIKOMZHMTYFW-LAUBAEHRSA-N 2 2 381.524 3.902 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765253962 859868258 /nfs/dbraw/zinc/86/82/58/859868258.db2.gz WDNWJJDDLGMKIG-KBXCAEBGSA-N 2 2 392.931 3.967 20 0 GHADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(I)cc1 ZINC000484295974 859931041 /nfs/dbraw/zinc/93/10/41/859931041.db2.gz GJKPINSLCYYXCM-CYBMUJFWSA-N 2 2 381.261 3.839 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCc3ccn(-c4ccccc4)n3)CC2)cc1 ZINC000765578637 860228724 /nfs/dbraw/zinc/22/87/24/860228724.db2.gz YHQWUTQYTMRNGF-UHFFFAOYSA-N 2 2 389.547 3.739 20 0 GHADLP [NH3+]CC[C@@H]1CN(c2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)c2ccccc21 ZINC001168548495 860329115 /nfs/dbraw/zinc/32/91/15/860329115.db2.gz HMPAPIAKLSQBSX-MSOLQXFVSA-N 3 2 375.520 3.935 20 0 GHADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000191832277 860359429 /nfs/dbraw/zinc/35/94/29/860359429.db2.gz PJUJOFDKPFPHHS-YKSBVNFPSA-N 2 2 398.547 3.654 20 0 GHADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000191832277 860359437 /nfs/dbraw/zinc/35/94/37/860359437.db2.gz PJUJOFDKPFPHHS-YKSBVNFPSA-N 2 2 398.547 3.654 20 0 GHADLP Cc1cc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)nc(C2CC2)[nH+]1 ZINC000484819524 860378052 /nfs/dbraw/zinc/37/80/52/860378052.db2.gz XMAZGTQRPAAOJN-UHFFFAOYSA-N 2 2 380.536 3.568 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(-n2ccnc2)c1 ZINC000509008515 860523160 /nfs/dbraw/zinc/52/31/60/860523160.db2.gz ZDDMVHJGLNNSKT-NRFANRHFSA-N 2 2 389.547 3.735 20 0 GHADLP FC(F)(F)Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000537629129 881564626 /nfs/dbraw/zinc/56/46/26/881564626.db2.gz UIAMGHAGTFUVFQ-HXUWFJFHSA-N 2 2 392.469 3.934 20 0 GHADLP FC(F)(F)Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000537629129 881564639 /nfs/dbraw/zinc/56/46/39/881564639.db2.gz UIAMGHAGTFUVFQ-HXUWFJFHSA-N 2 2 392.469 3.934 20 0 GHADLP FC(F)(F)Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000537629129 881564656 /nfs/dbraw/zinc/56/46/56/881564656.db2.gz UIAMGHAGTFUVFQ-HXUWFJFHSA-N 2 2 392.469 3.934 20 0 GHADLP FC(F)(F)Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000537629129 881564619 /nfs/dbraw/zinc/56/46/19/881564619.db2.gz UIAMGHAGTFUVFQ-HXUWFJFHSA-N 2 2 392.469 3.934 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ncc(C(C)(C)C)o3)C2)ccn1 ZINC000856599154 881573490 /nfs/dbraw/zinc/57/34/90/881573490.db2.gz MYKZEQQIXBQQHX-LJQANCHMSA-N 2 2 386.540 3.861 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ncc(C(C)(C)C)o3)C2)ccn1 ZINC000856599154 881573499 /nfs/dbraw/zinc/57/34/99/881573499.db2.gz MYKZEQQIXBQQHX-LJQANCHMSA-N 2 2 386.540 3.861 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ncc(C(C)(C)C)o3)C2)ccn1 ZINC000856599154 881573504 /nfs/dbraw/zinc/57/35/04/881573504.db2.gz MYKZEQQIXBQQHX-LJQANCHMSA-N 2 2 386.540 3.861 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ncc(C(C)(C)C)o3)C2)ccn1 ZINC000856599154 881573515 /nfs/dbraw/zinc/57/35/15/881573515.db2.gz MYKZEQQIXBQQHX-LJQANCHMSA-N 2 2 386.540 3.861 20 0 GHADLP CC(C)c1noc([C@@H](C)[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)n1 ZINC000856598327 881573542 /nfs/dbraw/zinc/57/35/42/881573542.db2.gz HOWPXUNUJXYQNI-VQIMIIECSA-N 2 2 387.528 3.643 20 0 GHADLP CC(C)c1noc([C@@H](C)[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)n1 ZINC000856598327 881573550 /nfs/dbraw/zinc/57/35/50/881573550.db2.gz HOWPXUNUJXYQNI-VQIMIIECSA-N 2 2 387.528 3.643 20 0 GHADLP CC(C)c1noc([C@@H](C)[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)n1 ZINC000856598327 881573556 /nfs/dbraw/zinc/57/35/56/881573556.db2.gz HOWPXUNUJXYQNI-VQIMIIECSA-N 2 2 387.528 3.643 20 0 GHADLP CC(C)c1noc([C@@H](C)[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)n1 ZINC000856598327 881573566 /nfs/dbraw/zinc/57/35/66/881573566.db2.gz HOWPXUNUJXYQNI-VQIMIIECSA-N 2 2 387.528 3.643 20 0 GHADLP Cn1c2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)cc2oc1=O ZINC000509071795 860794864 /nfs/dbraw/zinc/79/48/64/860794864.db2.gz RBKZKUXYCBXOQI-LEWJYISDSA-N 2 2 391.515 3.618 20 0 GHADLP Cn1c2ccc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)cc2oc1=O ZINC000509071795 860794867 /nfs/dbraw/zinc/79/48/67/860794867.db2.gz RBKZKUXYCBXOQI-LEWJYISDSA-N 2 2 391.515 3.618 20 0 GHADLP Cn1c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2oc1=O ZINC000509071795 860794877 /nfs/dbraw/zinc/79/48/77/860794877.db2.gz RBKZKUXYCBXOQI-LEWJYISDSA-N 2 2 391.515 3.618 20 0 GHADLP Cn1c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)cc2oc1=O ZINC000509071795 860794882 /nfs/dbraw/zinc/79/48/82/860794882.db2.gz RBKZKUXYCBXOQI-LEWJYISDSA-N 2 2 391.515 3.618 20 0 GHADLP C[C@H]1C[C@H](N(C)C(=O)NCCCNc2cccc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000156638993 860893473 /nfs/dbraw/zinc/89/34/73/860893473.db2.gz IHDXCQHNTNVOFM-PZJWPPBQSA-N 2 2 395.551 3.578 20 0 GHADLP C[C@H]1C[C@H](N(C)C(=O)NCCCNc2cccc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000156638993 860893487 /nfs/dbraw/zinc/89/34/87/860893487.db2.gz IHDXCQHNTNVOFM-PZJWPPBQSA-N 2 2 395.551 3.578 20 0 GHADLP Cc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)ncc1Br ZINC000623356381 860915111 /nfs/dbraw/zinc/91/51/11/860915111.db2.gz MHVPUWYNQWCFIN-UHFFFAOYSA-N 2 2 388.353 3.949 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000600156301 861156139 /nfs/dbraw/zinc/15/61/39/861156139.db2.gz MLYQVGHWOGNSAP-NRFANRHFSA-N 2 2 381.520 3.649 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000600156301 861156142 /nfs/dbraw/zinc/15/61/42/861156142.db2.gz MLYQVGHWOGNSAP-NRFANRHFSA-N 2 2 381.520 3.649 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000600156304 861156718 /nfs/dbraw/zinc/15/67/18/861156718.db2.gz MLYQVGHWOGNSAP-OAQYLSRUSA-N 2 2 381.520 3.649 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000600156304 861156727 /nfs/dbraw/zinc/15/67/27/861156727.db2.gz MLYQVGHWOGNSAP-OAQYLSRUSA-N 2 2 381.520 3.649 20 0 GHADLP CCCCNc1[nH+]c2ccccc2n1C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000920091881 881635633 /nfs/dbraw/zinc/63/56/33/881635633.db2.gz ROEXNIUOONCXOM-HXUWFJFHSA-N 2 2 378.520 3.668 20 0 GHADLP CCCCNc1[nH+]c2ccccc2n1C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000920091881 881635649 /nfs/dbraw/zinc/63/56/49/881635649.db2.gz ROEXNIUOONCXOM-HXUWFJFHSA-N 2 2 378.520 3.668 20 0 GHADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000158526726 863860416 /nfs/dbraw/zinc/86/04/16/863860416.db2.gz RCZNRXMZHLWBLP-AWEZNQCLSA-N 2 2 379.335 3.991 20 0 GHADLP Cc1c(F)cccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000120779006 881721334 /nfs/dbraw/zinc/72/13/34/881721334.db2.gz JEOAQZWUQDSQTE-NHCUHLMSSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1c(F)cccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000120779006 881721348 /nfs/dbraw/zinc/72/13/48/881721348.db2.gz JEOAQZWUQDSQTE-NHCUHLMSSA-N 2 2 390.547 3.935 20 0 GHADLP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000554566243 864573830 /nfs/dbraw/zinc/57/38/30/864573830.db2.gz ZTIALINFWHZRLS-ZWKOTPCHSA-N 2 2 396.535 3.825 20 0 GHADLP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000554566243 864573846 /nfs/dbraw/zinc/57/38/46/864573846.db2.gz ZTIALINFWHZRLS-ZWKOTPCHSA-N 2 2 396.535 3.825 20 0 GHADLP Cn1cc[nH+]c1C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000608277067 865167705 /nfs/dbraw/zinc/16/77/05/865167705.db2.gz WFOKOHYPRPHPKL-HXUWFJFHSA-N 2 2 377.492 3.587 20 0 GHADLP CN(C(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608488472 865406852 /nfs/dbraw/zinc/40/68/52/865406852.db2.gz GMMGTMFZIPUWAB-HNNXBMFYSA-N 2 2 385.339 3.626 20 0 GHADLP CN(C(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608488472 865406861 /nfs/dbraw/zinc/40/68/61/865406861.db2.gz GMMGTMFZIPUWAB-HNNXBMFYSA-N 2 2 385.339 3.626 20 0 GHADLP C[C@@H]([NH2+]C1(CNc2cc(N3CCCCC3)[nH+]cn2)CCOCC1)c1ccccc1 ZINC000301537818 865411214 /nfs/dbraw/zinc/41/12/14/865411214.db2.gz BAIBECIBQSMLST-LJQANCHMSA-N 2 2 395.551 3.779 20 0 GHADLP Cc1cn(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(=O)n1-c1ccc(Cl)cc1 ZINC000738089754 865484426 /nfs/dbraw/zinc/48/44/26/865484426.db2.gz LQCHPDVSQWIZEC-UHFFFAOYSA-N 2 2 390.959 3.611 20 0 GHADLP Cc1cn(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(=O)n1-c1ccc(Cl)cc1 ZINC000738089754 865484430 /nfs/dbraw/zinc/48/44/30/865484430.db2.gz LQCHPDVSQWIZEC-UHFFFAOYSA-N 2 2 390.959 3.611 20 0 GHADLP COc1cc(Br)c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1OC ZINC000480932465 865539283 /nfs/dbraw/zinc/53/92/83/865539283.db2.gz GZJKJLWRYKGEGX-UHFFFAOYSA-N 2 2 385.346 3.678 20 0 GHADLP Cc1nc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c2c([nH+]1)CCCC2 ZINC000302030042 865676340 /nfs/dbraw/zinc/67/63/40/865676340.db2.gz BNBKVEGBEHOBNE-KRWDZBQOSA-N 2 2 380.536 3.976 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000481179519 865936141 /nfs/dbraw/zinc/93/61/41/865936141.db2.gz VNIZCKKTIAEBHM-YSZBQJHXSA-N 2 2 395.522 3.821 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000481179519 865936145 /nfs/dbraw/zinc/93/61/45/865936145.db2.gz VNIZCKKTIAEBHM-YSZBQJHXSA-N 2 2 395.522 3.821 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481182375 865943000 /nfs/dbraw/zinc/94/30/00/865943000.db2.gz BKCDFSRQFRWCTM-ZJOUEHCJSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481182375 865943011 /nfs/dbraw/zinc/94/30/11/865943011.db2.gz BKCDFSRQFRWCTM-ZJOUEHCJSA-N 2 2 395.547 3.831 20 0 GHADLP CCN(C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000481186385 865951593 /nfs/dbraw/zinc/95/15/93/865951593.db2.gz FRUUYKPBNVNAOT-ZRCGQRJVSA-N 2 2 379.548 3.928 20 0 GHADLP CCN(C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000481186385 865951603 /nfs/dbraw/zinc/95/16/03/865951603.db2.gz FRUUYKPBNVNAOT-ZRCGQRJVSA-N 2 2 379.548 3.928 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2)C1=O ZINC000481202264 865995489 /nfs/dbraw/zinc/99/54/89/865995489.db2.gz SBKBVTVDINUKLW-UEVCKROQSA-N 2 2 377.532 3.682 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2)C1=O ZINC000481202264 865995498 /nfs/dbraw/zinc/99/54/98/865995498.db2.gz SBKBVTVDINUKLW-UEVCKROQSA-N 2 2 377.532 3.682 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534128458 866178758 /nfs/dbraw/zinc/17/87/58/866178758.db2.gz JDIIUXXAKPISKP-ROUUACIJSA-N 2 2 380.536 3.786 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000476558631 881959107 /nfs/dbraw/zinc/95/91/07/881959107.db2.gz CKCTWQZUZVJZMI-UHFFFAOYSA-N 2 2 398.457 3.898 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000476558631 881959113 /nfs/dbraw/zinc/95/91/13/881959113.db2.gz CKCTWQZUZVJZMI-UHFFFAOYSA-N 2 2 398.457 3.898 20 0 GHADLP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000620104313 866414120 /nfs/dbraw/zinc/41/41/20/866414120.db2.gz CXXCUMWYYUJBNV-XFFZJAGNSA-N 2 2 389.543 3.754 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000065304418 866489917 /nfs/dbraw/zinc/48/99/17/866489917.db2.gz SCBNDVXTHDFULU-FQEVSTJZSA-N 2 2 384.524 3.589 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)C2 ZINC000475604446 866729379 /nfs/dbraw/zinc/72/93/79/866729379.db2.gz FYKRNMXAMHKYOO-SJLPKXTDSA-N 2 2 382.552 3.884 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)CC2 ZINC000475604446 866729387 /nfs/dbraw/zinc/72/93/87/866729387.db2.gz FYKRNMXAMHKYOO-SJLPKXTDSA-N 2 2 382.552 3.884 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C2 ZINC000475604448 866729839 /nfs/dbraw/zinc/72/98/39/866729839.db2.gz FYKRNMXAMHKYOO-WMZOPIPTSA-N 2 2 382.552 3.884 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)CC2 ZINC000475604448 866729851 /nfs/dbraw/zinc/72/98/51/866729851.db2.gz FYKRNMXAMHKYOO-WMZOPIPTSA-N 2 2 382.552 3.884 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000153647849 867002411 /nfs/dbraw/zinc/00/24/11/867002411.db2.gz GFAJZBNXHBBCPO-QGZVFWFLSA-N 3 2 382.483 3.803 20 0 GHADLP Cc1cc2ncn(C[C@@H](O)C[NH2+][C@@H](C)c3cccc(-n4cc[nH+]c4)c3)c2cc1C ZINC000189905293 882039302 /nfs/dbraw/zinc/03/93/02/882039302.db2.gz ILLJBTUSZOEFTP-RXVVDRJESA-N 2 2 389.503 3.551 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153771106 867068778 /nfs/dbraw/zinc/06/87/78/867068778.db2.gz WAHILBBBLSLBGF-AEFFLSMTSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000153771106 867068796 /nfs/dbraw/zinc/06/87/96/867068796.db2.gz WAHILBBBLSLBGF-AEFFLSMTSA-N 2 2 377.960 3.684 20 0 GHADLP C[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@H]1CCC[NH+](C)C1 ZINC000154356359 867368660 /nfs/dbraw/zinc/36/86/60/867368660.db2.gz DKLLSDJXDARFSY-HNNXBMFYSA-N 2 2 389.341 3.680 20 0 GHADLP C[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@H]1CCC[NH+](C)C1 ZINC000154356359 867368675 /nfs/dbraw/zinc/36/86/75/867368675.db2.gz DKLLSDJXDARFSY-HNNXBMFYSA-N 2 2 389.341 3.680 20 0 GHADLP C[NH+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@H]1CCC[N@H+](C)C1 ZINC000154356359 867368693 /nfs/dbraw/zinc/36/86/93/867368693.db2.gz DKLLSDJXDARFSY-HNNXBMFYSA-N 2 2 389.341 3.680 20 0 GHADLP C[NH+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@H]1CCC[N@@H+](C)C1 ZINC000154356359 867368709 /nfs/dbraw/zinc/36/87/09/867368709.db2.gz DKLLSDJXDARFSY-HNNXBMFYSA-N 2 2 389.341 3.680 20 0 GHADLP C[C@]1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793344817 882092469 /nfs/dbraw/zinc/09/24/69/882092469.db2.gz WRZWZHHLWBMNAC-NRFANRHFSA-N 2 2 396.516 3.825 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(F)cc1F ZINC000155158569 867776319 /nfs/dbraw/zinc/77/63/19/867776319.db2.gz GZSAUFZIRIWLDZ-INIZCTEOSA-N 2 2 376.447 3.527 20 0 GHADLP C[C@H]([NH2+]CCCCn1cc(Br)cn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000479464409 867809000 /nfs/dbraw/zinc/80/90/00/867809000.db2.gz MEBCRJOAOXXQIK-HNNXBMFYSA-N 2 2 388.313 3.962 20 0 GHADLP CC(C)[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1nnc2ccccn21 ZINC000155574370 867955093 /nfs/dbraw/zinc/95/50/93/867955093.db2.gz GQXNDXLHWUCTNR-QFIPXVFZSA-N 2 2 377.536 3.723 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3nc(-c4ccccc4)c[nH]3)c2)CCO1 ZINC000194259308 882158762 /nfs/dbraw/zinc/15/87/62/882158762.db2.gz VIDZVWGMPIQLCG-GOSISDBHSA-N 2 2 376.504 3.587 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3nc(-c4ccccc4)c[nH]3)c2)CCO1 ZINC000194259308 882158772 /nfs/dbraw/zinc/15/87/72/882158772.db2.gz VIDZVWGMPIQLCG-GOSISDBHSA-N 2 2 376.504 3.587 20 0 GHADLP CCc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097753 868162812 /nfs/dbraw/zinc/16/28/12/868162812.db2.gz XQQOFFLGCPDVIL-RPWUZVMVSA-N 2 2 399.623 3.977 20 0 GHADLP CCc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097753 868162820 /nfs/dbraw/zinc/16/28/20/868162820.db2.gz XQQOFFLGCPDVIL-RPWUZVMVSA-N 2 2 399.623 3.977 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000743402412 868166452 /nfs/dbraw/zinc/16/64/52/868166452.db2.gz IEYYKSDZIWIJHY-WMZHIEFXSA-N 2 2 392.547 3.797 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000743402412 868166461 /nfs/dbraw/zinc/16/64/61/868166461.db2.gz IEYYKSDZIWIJHY-WMZHIEFXSA-N 2 2 392.547 3.797 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCCNc2ccc(C)c[nH+]2)cc1 ZINC000121611298 882182070 /nfs/dbraw/zinc/18/20/70/882182070.db2.gz HBWCQRRFLATQGS-KRWDZBQOSA-N 2 2 392.507 3.747 20 0 GHADLP C[C@@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@@H+]1CCCC[C@@H]1C ZINC000535328426 868558397 /nfs/dbraw/zinc/55/83/97/868558397.db2.gz XMXLCUVRKCIBMJ-ROUUACIJSA-N 2 2 393.535 3.986 20 0 GHADLP C[C@@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@H+]1CCCC[C@@H]1C ZINC000535328426 868558406 /nfs/dbraw/zinc/55/84/06/868558406.db2.gz XMXLCUVRKCIBMJ-ROUUACIJSA-N 2 2 393.535 3.986 20 0 GHADLP COc1cc2c(NC[C@H](c3cccs3)[NH+]3CCOCC3)cc[nH+]c2cc1F ZINC000479854393 868605374 /nfs/dbraw/zinc/60/53/74/868605374.db2.gz VSXXHOLMNSLVEZ-GOSISDBHSA-N 2 2 387.480 3.929 20 0 GHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157282848 868612103 /nfs/dbraw/zinc/61/21/03/868612103.db2.gz CVERIDRBACYMFL-SJORKVTESA-N 2 2 395.950 3.776 20 0 GHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157282848 868612110 /nfs/dbraw/zinc/61/21/10/868612110.db2.gz CVERIDRBACYMFL-SJORKVTESA-N 2 2 395.950 3.776 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000479886392 868683614 /nfs/dbraw/zinc/68/36/14/868683614.db2.gz GXFOXAIKSLIBDB-OFVILXPXSA-N 2 2 393.575 3.519 20 0 GHADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000155506621 868830027 /nfs/dbraw/zinc/83/00/27/868830027.db2.gz QMJSGWXIKLNABY-UHFFFAOYSA-N 2 2 393.325 3.598 20 0 GHADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000155506621 868830041 /nfs/dbraw/zinc/83/00/41/868830041.db2.gz QMJSGWXIKLNABY-UHFFFAOYSA-N 2 2 393.325 3.598 20 0 GHADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000475638885 869225170 /nfs/dbraw/zinc/22/51/70/869225170.db2.gz LKNGRRUGCRGBHE-LJQANCHMSA-N 2 2 382.552 3.537 20 0 GHADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000475638885 869225176 /nfs/dbraw/zinc/22/51/76/869225176.db2.gz LKNGRRUGCRGBHE-LJQANCHMSA-N 2 2 382.552 3.537 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000462519474 869599659 /nfs/dbraw/zinc/59/96/59/869599659.db2.gz BUTLUCWBCGDFJI-YJBOKZPZSA-N 2 2 392.594 3.501 20 0 GHADLP COc1ccc2c(c1)C[C@H](Nc1ccc(N3CCC([NH+](C)C)CC3)c[nH+]1)CC2 ZINC000539689178 869610678 /nfs/dbraw/zinc/61/06/78/869610678.db2.gz LWPSWOAGJIWDKU-LJQANCHMSA-N 2 2 380.536 3.590 20 0 GHADLP C[N@@H+]1CC[C@@H](CSc2nnc(C[NH+]3CCCC3)n2-c2ccc(Cl)cc2)C1 ZINC000190960454 882320992 /nfs/dbraw/zinc/32/09/92/882320992.db2.gz MBTQBODAYCWLHM-OAHLLOKOSA-N 2 2 391.972 3.560 20 0 GHADLP C[N@H+]1CC[C@@H](CSc2nnc(C[NH+]3CCCC3)n2-c2ccc(Cl)cc2)C1 ZINC000190960454 882321009 /nfs/dbraw/zinc/32/10/09/882321009.db2.gz MBTQBODAYCWLHM-OAHLLOKOSA-N 2 2 391.972 3.560 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000539789857 869785108 /nfs/dbraw/zinc/78/51/08/869785108.db2.gz UMOLBPTUPIKCIL-GOSISDBHSA-N 2 2 389.503 3.572 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000539789857 869785115 /nfs/dbraw/zinc/78/51/15/869785115.db2.gz UMOLBPTUPIKCIL-GOSISDBHSA-N 2 2 389.503 3.572 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccnc1 ZINC000539967431 870122931 /nfs/dbraw/zinc/12/29/31/870122931.db2.gz GKSXSDGIIIJQQJ-KRWDZBQOSA-N 2 2 392.469 3.963 20 0 GHADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000462824779 870165452 /nfs/dbraw/zinc/16/54/52/870165452.db2.gz YYPQJMOZFLYHMY-AVRDEDQJSA-N 2 2 398.595 3.756 20 0 GHADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000462824779 870165456 /nfs/dbraw/zinc/16/54/56/870165456.db2.gz YYPQJMOZFLYHMY-AVRDEDQJSA-N 2 2 398.595 3.756 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000248067363 870278314 /nfs/dbraw/zinc/27/83/14/870278314.db2.gz MHNGJEQYSGAJLE-OIBXWCBGSA-N 2 2 396.554 3.998 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000248067363 870278332 /nfs/dbraw/zinc/27/83/32/870278332.db2.gz MHNGJEQYSGAJLE-OIBXWCBGSA-N 2 2 396.554 3.998 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248460415 870437037 /nfs/dbraw/zinc/43/70/37/870437037.db2.gz WMONDHSPMMAEEE-DVECYGJZSA-N 3 2 390.531 3.680 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248460415 870437046 /nfs/dbraw/zinc/43/70/46/870437046.db2.gz WMONDHSPMMAEEE-DVECYGJZSA-N 3 2 390.531 3.680 20 0 GHADLP C[C@H](CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[NH+]1CCCCC1 ZINC000248492909 870457205 /nfs/dbraw/zinc/45/72/05/870457205.db2.gz OWWKSYZUGPBCBC-STZQEDGTSA-N 2 2 395.551 3.675 20 0 GHADLP COc1cccc(C2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCOCC2)c1F ZINC000446820366 870461447 /nfs/dbraw/zinc/46/14/47/870461447.db2.gz BONQOONUJMGUKG-UHFFFAOYSA-N 2 2 387.480 3.877 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-n3cncn3)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000538732330 870464531 /nfs/dbraw/zinc/46/45/31/870464531.db2.gz CPRLEMGOAZCLND-NQIIRXRSSA-N 2 2 393.510 3.891 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-n3cncn3)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000538732330 870464549 /nfs/dbraw/zinc/46/45/49/870464549.db2.gz CPRLEMGOAZCLND-NQIIRXRSSA-N 2 2 393.510 3.891 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3cncn3)c(F)c2)CC[NH+]1Cc1ccccc1 ZINC000538732330 870464566 /nfs/dbraw/zinc/46/45/66/870464566.db2.gz CPRLEMGOAZCLND-NQIIRXRSSA-N 2 2 393.510 3.891 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3cncn3)c(F)c2)CC[NH+]1Cc1ccccc1 ZINC000538732330 870464577 /nfs/dbraw/zinc/46/45/77/870464577.db2.gz CPRLEMGOAZCLND-NQIIRXRSSA-N 2 2 393.510 3.891 20 0 GHADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)CC1 ZINC000462945474 870482084 /nfs/dbraw/zinc/48/20/84/870482084.db2.gz MWYZJRBMDAKDJK-HNNXBMFYSA-N 2 2 399.373 3.734 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000540150764 870630654 /nfs/dbraw/zinc/63/06/54/870630654.db2.gz IXJZWXGDVQTTSN-IAGOWNOFSA-N 2 2 378.520 3.843 20 0 GHADLP Cc1ccc(C)c([C@H](C)N(C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000508579947 870799323 /nfs/dbraw/zinc/79/93/23/870799323.db2.gz DBQCCYNJSXJKEY-IBGZPJMESA-N 2 2 386.584 3.564 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463115551 870917094 /nfs/dbraw/zinc/91/70/94/870917094.db2.gz LOPPSFJPMWLVKO-FXAWDEMLSA-N 2 2 384.520 3.855 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463115551 870917101 /nfs/dbraw/zinc/91/71/01/870917101.db2.gz LOPPSFJPMWLVKO-FXAWDEMLSA-N 2 2 384.520 3.855 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CN1C(=O)OC(C)(C)C ZINC001168870915 870923471 /nfs/dbraw/zinc/92/34/71/870923471.db2.gz GNJYNMHVKSYHEH-AVRDEDQJSA-N 2 2 399.579 3.907 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CN1C(=O)OC(C)(C)C ZINC001168870915 870923483 /nfs/dbraw/zinc/92/34/83/870923483.db2.gz GNJYNMHVKSYHEH-AVRDEDQJSA-N 2 2 399.579 3.907 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C2CCN(c3nccs3)CC2)c(C)c1 ZINC000463206150 871135930 /nfs/dbraw/zinc/13/59/30/871135930.db2.gz OXVBTMOFIFSMAS-HXUWFJFHSA-N 2 2 381.549 3.956 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CN1Cc1ccccc1 ZINC000766574580 871161666 /nfs/dbraw/zinc/16/16/66/871161666.db2.gz HDBVXCBTDYQPOM-OFNKIYASSA-N 2 2 392.591 3.974 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000463242268 871246293 /nfs/dbraw/zinc/24/62/93/871246293.db2.gz GBJKXQJBJNVPTF-LEOXJPRUSA-N 2 2 395.522 3.569 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000463242268 871246369 /nfs/dbraw/zinc/24/63/69/871246369.db2.gz GBJKXQJBJNVPTF-LEOXJPRUSA-N 2 2 395.522 3.569 20 0 GHADLP Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)C2)c1 ZINC001169147862 871258878 /nfs/dbraw/zinc/25/88/78/871258878.db2.gz BTCVDEMZYCGGBH-FCHUYYIVSA-N 2 2 388.515 3.631 20 0 GHADLP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)C2)c1 ZINC001169147862 871258896 /nfs/dbraw/zinc/25/88/96/871258896.db2.gz BTCVDEMZYCGGBH-FCHUYYIVSA-N 2 2 388.515 3.631 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)ccc2[nH+]1 ZINC000525747614 871328738 /nfs/dbraw/zinc/32/87/38/871328738.db2.gz PTKCMDHRJNLWIA-BEFAXECRSA-N 2 2 383.521 3.909 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)ccc2[nH+]1 ZINC000525747614 871328756 /nfs/dbraw/zinc/32/87/56/871328756.db2.gz PTKCMDHRJNLWIA-BEFAXECRSA-N 2 2 383.521 3.909 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000539201464 871492505 /nfs/dbraw/zinc/49/25/05/871492505.db2.gz BOOHGDCHEDBUFN-SFTDATJTSA-N 2 2 375.532 3.589 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000539201464 871492512 /nfs/dbraw/zinc/49/25/12/871492512.db2.gz BOOHGDCHEDBUFN-SFTDATJTSA-N 2 2 375.532 3.589 20 0 GHADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001169436109 871526830 /nfs/dbraw/zinc/52/68/30/871526830.db2.gz XNPGHQDTEFQLHW-FQEVSTJZSA-N 2 2 393.575 3.944 20 0 GHADLP O=C(C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)NCCCC1CCCCC1 ZINC001194205014 871555047 /nfs/dbraw/zinc/55/50/47/871555047.db2.gz WOPFCYWCMJSCRO-UHFFFAOYSA-N 2 2 394.563 3.834 20 0 GHADLP O=C(C[NH2+]C(C1CCCC1)C1CCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000775617862 872005767 /nfs/dbraw/zinc/00/57/67/872005767.db2.gz SXFNVXXMHLZICG-UHFFFAOYSA-N 2 2 399.579 3.796 20 0 GHADLP COc1ccccc1[C@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509656839 872011300 /nfs/dbraw/zinc/01/13/00/872011300.db2.gz YMRMLYKMMABORL-NRFANRHFSA-N 2 2 379.548 3.697 20 0 GHADLP COc1ccccc1[C@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509656839 872011319 /nfs/dbraw/zinc/01/13/19/872011319.db2.gz YMRMLYKMMABORL-NRFANRHFSA-N 2 2 379.548 3.697 20 0 GHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000447724220 872215707 /nfs/dbraw/zinc/21/57/07/872215707.db2.gz UTDYWEWCECVUIZ-HXUWFJFHSA-N 2 2 383.536 3.833 20 0 GHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000447724220 872215723 /nfs/dbraw/zinc/21/57/23/872215723.db2.gz UTDYWEWCECVUIZ-HXUWFJFHSA-N 2 2 383.536 3.833 20 0 GHADLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OCC(F)(F)F ZINC000093597765 872286357 /nfs/dbraw/zinc/28/63/57/872286357.db2.gz UPFCHYNIVKNLLY-KRWDZBQOSA-N 2 2 386.458 3.944 20 0 GHADLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OCC(F)(F)F ZINC000093597765 872286372 /nfs/dbraw/zinc/28/63/72/872286372.db2.gz UPFCHYNIVKNLLY-KRWDZBQOSA-N 2 2 386.458 3.944 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC[NH+](C)C3CCCCC3)n2)C1 ZINC000526952656 872323332 /nfs/dbraw/zinc/32/33/32/872323332.db2.gz KJMYRASFQCTYQV-MRXNPFEDSA-N 2 2 393.601 3.761 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC[NH+](C)C3CCCCC3)n2)C1 ZINC000526952656 872323345 /nfs/dbraw/zinc/32/33/45/872323345.db2.gz KJMYRASFQCTYQV-MRXNPFEDSA-N 2 2 393.601 3.761 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NCC[N@H+](C)C3CCCCC3)n2)C1 ZINC000526952656 872323351 /nfs/dbraw/zinc/32/33/51/872323351.db2.gz KJMYRASFQCTYQV-MRXNPFEDSA-N 2 2 393.601 3.761 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NCC[N@@H+](C)C3CCCCC3)n2)C1 ZINC000526952656 872323359 /nfs/dbraw/zinc/32/33/59/872323359.db2.gz KJMYRASFQCTYQV-MRXNPFEDSA-N 2 2 393.601 3.761 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000093693598 872349108 /nfs/dbraw/zinc/34/91/08/872349108.db2.gz QJNAQPAPVCZOFB-HNNXBMFYSA-N 2 2 379.342 3.889 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000093693598 872349121 /nfs/dbraw/zinc/34/91/21/872349121.db2.gz QJNAQPAPVCZOFB-HNNXBMFYSA-N 2 2 379.342 3.889 20 0 GHADLP c1ccc(C(OCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c2ccccc2)cc1 ZINC000670985351 872360905 /nfs/dbraw/zinc/36/09/05/872360905.db2.gz RAUFOPUOOHDFOZ-DEOSSOPVSA-N 2 2 394.559 3.979 20 0 GHADLP c1ccc(C(OCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c2ccccc2)cc1 ZINC000670985351 872360920 /nfs/dbraw/zinc/36/09/20/872360920.db2.gz RAUFOPUOOHDFOZ-DEOSSOPVSA-N 2 2 394.559 3.979 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000540886645 872387143 /nfs/dbraw/zinc/38/71/43/872387143.db2.gz PTOZZQGIBYFVOA-SFHVURJKSA-N 2 2 389.503 3.572 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000540886645 872387165 /nfs/dbraw/zinc/38/71/65/872387165.db2.gz PTOZZQGIBYFVOA-SFHVURJKSA-N 2 2 389.503 3.572 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000552357805 872549779 /nfs/dbraw/zinc/54/97/79/872549779.db2.gz RLPAZEVLDRHHJH-HSZRJFAPSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000552357805 872549785 /nfs/dbraw/zinc/54/97/85/872549785.db2.gz RLPAZEVLDRHHJH-HSZRJFAPSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000552357805 872549799 /nfs/dbraw/zinc/54/97/99/872549799.db2.gz RLPAZEVLDRHHJH-HSZRJFAPSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000552357805 872549803 /nfs/dbraw/zinc/54/98/03/872549803.db2.gz RLPAZEVLDRHHJH-HSZRJFAPSA-N 2 2 381.520 3.587 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCOc4cc(F)ccc43)cc2)CC1 ZINC000540991406 872688366 /nfs/dbraw/zinc/68/83/66/872688366.db2.gz DQTYPLOHXUVFBZ-HSZRJFAPSA-N 2 2 397.538 3.967 20 0 GHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccco1 ZINC000478231393 872697359 /nfs/dbraw/zinc/69/73/59/872697359.db2.gz KORZGAFBJRAWFC-PKOBYXMFSA-N 2 2 399.539 3.594 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1Br ZINC000152732836 872815578 /nfs/dbraw/zinc/81/55/78/872815578.db2.gz ZXVGXQVPKXQXHN-CYBMUJFWSA-N 2 2 378.314 3.884 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000552579920 872848127 /nfs/dbraw/zinc/84/81/27/872848127.db2.gz LQUFOXVOAPCNFA-COPCDDAFSA-N 2 2 395.522 3.821 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000552579920 872848137 /nfs/dbraw/zinc/84/81/37/872848137.db2.gz LQUFOXVOAPCNFA-COPCDDAFSA-N 2 2 395.522 3.821 20 0 GHADLP Cc1c(O)ccc2c(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cc(=O)oc12 ZINC000775687515 872901243 /nfs/dbraw/zinc/90/12/43/872901243.db2.gz BJRPRSBGLVJLEO-IIBYNOLFSA-N 2 2 392.499 3.807 20 0 GHADLP Cc1c(O)ccc2c(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)cc(=O)oc12 ZINC000775687515 872901250 /nfs/dbraw/zinc/90/12/50/872901250.db2.gz BJRPRSBGLVJLEO-IIBYNOLFSA-N 2 2 392.499 3.807 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000191955358 882682394 /nfs/dbraw/zinc/68/23/94/882682394.db2.gz MFNVTVBNINKIOA-UHFFFAOYSA-N 2 2 380.517 3.590 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000191955358 882682407 /nfs/dbraw/zinc/68/24/07/882682407.db2.gz MFNVTVBNINKIOA-UHFFFAOYSA-N 2 2 380.517 3.590 20 0 GHADLP CCC1([NH+](C)C)CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC001196683181 873283134 /nfs/dbraw/zinc/28/31/34/873283134.db2.gz CMQOBHVURKYZOU-INIZCTEOSA-N 2 2 375.340 3.539 20 0 GHADLP Cc1cc(Br)c(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1Br ZINC000527637730 873389239 /nfs/dbraw/zinc/38/92/39/873389239.db2.gz OJGRWKYZMULXQS-LLVKDONJSA-N 2 2 387.119 3.895 20 0 GHADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527668078 873425893 /nfs/dbraw/zinc/42/58/93/873425893.db2.gz CONDLIUNJXYYDD-UHFFFAOYSA-N 2 2 391.300 3.706 20 0 GHADLP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1OCc1cccnc1 ZINC000527805724 873624909 /nfs/dbraw/zinc/62/49/09/873624909.db2.gz HETBVPJYEGECJM-OAQYLSRUSA-N 2 2 381.520 3.776 20 0 GHADLP COc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1OCc1cccnc1 ZINC000527805724 873624915 /nfs/dbraw/zinc/62/49/15/873624915.db2.gz HETBVPJYEGECJM-OAQYLSRUSA-N 2 2 381.520 3.776 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccc(C3(C)COC3)cc2)cc1 ZINC001198030746 874188477 /nfs/dbraw/zinc/18/84/77/874188477.db2.gz OZXNIXJMNUDTJT-UHFFFAOYSA-N 2 2 395.547 3.610 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccc(C3(C)COC3)cc2)cc1 ZINC001198030746 874188484 /nfs/dbraw/zinc/18/84/84/874188484.db2.gz OZXNIXJMNUDTJT-UHFFFAOYSA-N 2 2 395.547 3.610 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](C[NH+]1CCC[C@H]1C1OCCO1)c1ccccc1 ZINC001198269893 874338906 /nfs/dbraw/zinc/33/89/06/874338906.db2.gz FZQDKRAEXPYRGC-PKTZIBPZSA-N 2 2 380.532 3.740 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CCC[C@H]1C1OCCO1)c1ccccc1 ZINC001198269893 874338916 /nfs/dbraw/zinc/33/89/16/874338916.db2.gz FZQDKRAEXPYRGC-PKTZIBPZSA-N 2 2 380.532 3.740 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+]1CCC[C@H]1C1OCCO1)c1ccccc1 ZINC001198269893 874338927 /nfs/dbraw/zinc/33/89/27/874338927.db2.gz FZQDKRAEXPYRGC-PKTZIBPZSA-N 2 2 380.532 3.740 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](C[N@H+]1CCC[C@H]1C1OCCO1)c1ccccc1 ZINC001198269893 874338934 /nfs/dbraw/zinc/33/89/34/874338934.db2.gz FZQDKRAEXPYRGC-PKTZIBPZSA-N 2 2 380.532 3.740 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449047065 874414809 /nfs/dbraw/zinc/41/48/09/874414809.db2.gz MSEUMRVOWVGNBY-XWIAVFTESA-N 2 2 393.503 3.772 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449047065 874414816 /nfs/dbraw/zinc/41/48/16/874414816.db2.gz MSEUMRVOWVGNBY-XWIAVFTESA-N 2 2 393.503 3.772 20 0 GHADLP C[NH+](C)[C@]1(C[NH2+]Cc2ccnc3c(Br)cccc23)CCSC1 ZINC000449171462 874550286 /nfs/dbraw/zinc/55/02/86/874550286.db2.gz AIBYIPCKCKRCAY-KRWDZBQOSA-N 2 2 380.355 3.524 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000449159894 874557321 /nfs/dbraw/zinc/55/73/21/874557321.db2.gz JMRGPPIHXZKONJ-LJQANCHMSA-N 3 2 379.633 3.756 20 0 GHADLP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000449167583 874563894 /nfs/dbraw/zinc/56/38/94/874563894.db2.gz KLSXOOOPIPQQBZ-IRXDYDNUSA-N 2 2 383.517 3.730 20 0 GHADLP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464832708 874565383 /nfs/dbraw/zinc/56/53/83/874565383.db2.gz CLUHOWLUUGCXNH-ICSRJNTNSA-N 2 2 399.966 3.799 20 0 GHADLP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464832708 874565390 /nfs/dbraw/zinc/56/53/90/874565390.db2.gz CLUHOWLUUGCXNH-ICSRJNTNSA-N 2 2 399.966 3.799 20 0 GHADLP C[C@@H](C(=O)NCc1ccccc1Cl)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464832708 874565406 /nfs/dbraw/zinc/56/54/06/874565406.db2.gz CLUHOWLUUGCXNH-ICSRJNTNSA-N 2 2 399.966 3.799 20 0 GHADLP C[C@@H](C(=O)NCc1ccccc1Cl)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464832708 874565413 /nfs/dbraw/zinc/56/54/13/874565413.db2.gz CLUHOWLUUGCXNH-ICSRJNTNSA-N 2 2 399.966 3.799 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449208103 874587950 /nfs/dbraw/zinc/58/79/50/874587950.db2.gz NYRLDEJCBLQNAI-KRWDZBQOSA-N 2 2 393.510 3.936 20 0 GHADLP COc1cccc(COc2ccc(C[NH2+]C[C@@H]3C[N@H+](CC(C)C)CCO3)cc2)c1 ZINC001198901453 874683672 /nfs/dbraw/zinc/68/36/72/874683672.db2.gz UHTRBKORPWNCMW-XMMPIXPASA-N 2 2 398.547 3.721 20 0 GHADLP COc1cccc(COc2ccc(C[NH2+]C[C@@H]3C[N@@H+](CC(C)C)CCO3)cc2)c1 ZINC001198901453 874683678 /nfs/dbraw/zinc/68/36/78/874683678.db2.gz UHTRBKORPWNCMW-XMMPIXPASA-N 2 2 398.547 3.721 20 0 GHADLP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000528586522 874748234 /nfs/dbraw/zinc/74/82/34/874748234.db2.gz YASLRLFKCNQIDX-HWPVKAJDSA-N 2 2 376.491 3.930 20 0 GHADLP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000528586522 874748244 /nfs/dbraw/zinc/74/82/44/874748244.db2.gz YASLRLFKCNQIDX-HWPVKAJDSA-N 2 2 376.491 3.930 20 0 GHADLP FC1(F)CC12C[C@H]1CC[C@@H](C2)[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000528586522 874748251 /nfs/dbraw/zinc/74/82/51/874748251.db2.gz YASLRLFKCNQIDX-HWPVKAJDSA-N 2 2 376.491 3.930 20 0 GHADLP FC1(F)CC12C[C@H]1CC[C@@H](C2)[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000528586522 874748261 /nfs/dbraw/zinc/74/82/61/874748261.db2.gz YASLRLFKCNQIDX-HWPVKAJDSA-N 2 2 376.491 3.930 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)CC1 ZINC000449357818 874780012 /nfs/dbraw/zinc/78/00/12/874780012.db2.gz LYCKEYSUZBNJNY-KRWDZBQOSA-N 2 2 392.609 3.826 20 0 GHADLP COc1nc(Cl)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1C ZINC001199267947 874884113 /nfs/dbraw/zinc/88/41/13/874884113.db2.gz SWSIBSFABWWZBP-OAHLLOKOSA-N 2 2 376.932 3.604 20 0 GHADLP COc1nc(Cl)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n1C ZINC001199267947 874884122 /nfs/dbraw/zinc/88/41/22/874884122.db2.gz SWSIBSFABWWZBP-OAHLLOKOSA-N 2 2 376.932 3.604 20 0 GHADLP CCc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449507278 874971862 /nfs/dbraw/zinc/97/18/62/874971862.db2.gz SYWYLWUOGASLRO-IBGZPJMESA-N 2 2 391.987 3.669 20 0 GHADLP CCc1cccc(Cl)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449507278 874971872 /nfs/dbraw/zinc/97/18/72/874971872.db2.gz SYWYLWUOGASLRO-IBGZPJMESA-N 2 2 391.987 3.669 20 0 GHADLP CCc1cccc(Cl)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449507278 874971883 /nfs/dbraw/zinc/97/18/83/874971883.db2.gz SYWYLWUOGASLRO-IBGZPJMESA-N 2 2 391.987 3.669 20 0 GHADLP CCc1cccc(Cl)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449507278 874971889 /nfs/dbraw/zinc/97/18/89/874971889.db2.gz SYWYLWUOGASLRO-IBGZPJMESA-N 2 2 391.987 3.669 20 0 GHADLP COc1cc(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)ccc1C ZINC000449522177 874996787 /nfs/dbraw/zinc/99/67/87/874996787.db2.gz IHQCMPJLQSCMIP-UHFFFAOYSA-N 2 2 381.520 3.716 20 0 GHADLP Fc1ccc(C(F)(F)F)c(Br)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000858165390 882903446 /nfs/dbraw/zinc/90/34/46/882903446.db2.gz GTBXICMVYSLFNR-MRVPVSSYSA-N 2 2 392.194 3.977 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccccc1 ZINC000542336760 875397725 /nfs/dbraw/zinc/39/77/25/875397725.db2.gz WASPKUUMMHJYAV-IRLDBZIGSA-N 2 2 394.563 3.912 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccccc1 ZINC000542336762 875399982 /nfs/dbraw/zinc/39/99/82/875399982.db2.gz WASPKUUMMHJYAV-UNMCSNQZSA-N 2 2 394.563 3.912 20 0 GHADLP Cc1cc(Nc2ccc(N)[nH+]c2)n(CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001201280034 875586564 /nfs/dbraw/zinc/58/65/64/875586564.db2.gz XVZQWBOIILDUKJ-UHFFFAOYSA-N 2 2 376.508 3.825 20 0 GHADLP Fc1ccc([C@H]2CC[C@@H]([NH2+]Cc3ccc(OCC[NH+]4CCOCC4)cc3)C2)cc1 ZINC001202258900 876074275 /nfs/dbraw/zinc/07/42/75/876074275.db2.gz KFYMDMAQIGHLKP-JTHBVZDNSA-N 2 2 398.522 3.963 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cc(Br)nn2C)c(C)c1 ZINC000785497386 876075986 /nfs/dbraw/zinc/07/59/86/876075986.db2.gz SQFALDWNPZCVSP-QGZVFWFLSA-N 2 2 388.313 3.527 20 0 GHADLP CN(C(=O)CCCC(=O)C(C)(C)C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450225922 876088526 /nfs/dbraw/zinc/08/85/26/876088526.db2.gz INVOICTVXRLZSI-PMACEKPBSA-N 2 2 393.616 3.568 20 0 GHADLP CN(C(=O)CCCC(=O)C(C)(C)C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450225922 876088539 /nfs/dbraw/zinc/08/85/39/876088539.db2.gz INVOICTVXRLZSI-PMACEKPBSA-N 2 2 393.616 3.568 20 0 GHADLP CCO[C@@H](C)c1nc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000120642459 876188504 /nfs/dbraw/zinc/18/85/04/876188504.db2.gz FNVUJWPRGZMYFF-BBWFWOEESA-N 2 2 381.586 3.562 20 0 GHADLP CCO[C@@H](C)c1nc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000120642459 876188514 /nfs/dbraw/zinc/18/85/14/876188514.db2.gz FNVUJWPRGZMYFF-BBWFWOEESA-N 2 2 381.586 3.562 20 0 GHADLP Brc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000529529878 876267225 /nfs/dbraw/zinc/26/72/25/876267225.db2.gz ORKGCIYPGDSLNA-CYBMUJFWSA-N 2 2 395.370 3.818 20 0 GHADLP Brc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000529529878 876267236 /nfs/dbraw/zinc/26/72/36/876267236.db2.gz ORKGCIYPGDSLNA-CYBMUJFWSA-N 2 2 395.370 3.818 20 0 GHADLP Cc1ccc([C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc2)cc1 ZINC000492209975 876443201 /nfs/dbraw/zinc/44/32/01/876443201.db2.gz MCXCBLHJQFHJLX-XMMPIXPASA-N 2 2 379.548 3.617 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)C[C@@H]1c1ccccc1 ZINC000551006784 883037019 /nfs/dbraw/zinc/03/70/19/883037019.db2.gz YXYBHUIBKGMMHR-WWNPGLIZSA-N 2 2 393.531 3.729 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)C[C@@H]1c1ccccc1 ZINC000551006784 883037035 /nfs/dbraw/zinc/03/70/35/883037035.db2.gz YXYBHUIBKGMMHR-WWNPGLIZSA-N 2 2 393.531 3.729 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173974796 876753988 /nfs/dbraw/zinc/75/39/88/876753988.db2.gz JBZKAHYPLJSJLP-UGKGYDQZSA-N 2 2 397.538 3.627 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173974796 876754002 /nfs/dbraw/zinc/75/40/02/876754002.db2.gz JBZKAHYPLJSJLP-UGKGYDQZSA-N 2 2 397.538 3.627 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173974796 876754012 /nfs/dbraw/zinc/75/40/12/876754012.db2.gz JBZKAHYPLJSJLP-UGKGYDQZSA-N 2 2 397.538 3.627 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173974796 876754019 /nfs/dbraw/zinc/75/40/19/876754019.db2.gz JBZKAHYPLJSJLP-UGKGYDQZSA-N 2 2 397.538 3.627 20 0 GHADLP COc1c(C)cc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000796691421 876897422 /nfs/dbraw/zinc/89/74/22/876897422.db2.gz BYJXIVRCIZLVPG-OXJNMPFZSA-N 2 2 388.939 3.727 20 0 GHADLP COc1c(C)cc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000796691421 876897434 /nfs/dbraw/zinc/89/74/34/876897434.db2.gz BYJXIVRCIZLVPG-OXJNMPFZSA-N 2 2 388.939 3.727 20 0 GHADLP CC[N@@H+](CC(=O)Nc1cc(C(C)(C)C)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390298 877002346 /nfs/dbraw/zinc/00/23/46/877002346.db2.gz CNQVFDHYGREXBA-UHFFFAOYSA-N 2 2 399.539 3.544 20 0 GHADLP CC[N@H+](CC(=O)Nc1cc(C(C)(C)C)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390298 877002361 /nfs/dbraw/zinc/00/23/61/877002361.db2.gz CNQVFDHYGREXBA-UHFFFAOYSA-N 2 2 399.539 3.544 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000850554770 877022039 /nfs/dbraw/zinc/02/20/39/877022039.db2.gz DPPZFJVVPMJQBF-JSNMRZPZSA-N 2 2 394.346 3.922 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000850554770 877022047 /nfs/dbraw/zinc/02/20/47/877022047.db2.gz DPPZFJVVPMJQBF-JSNMRZPZSA-N 2 2 394.346 3.922 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2cccc(Cl)c2F)([NH+]2CCCCC2)CC1 ZINC000174572202 877098295 /nfs/dbraw/zinc/09/82/95/877098295.db2.gz NKGHQHNIZKFDPF-UHFFFAOYSA-N 2 2 382.911 3.551 20 0 GHADLP CN(Cc1cc2ccccc2o1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000175588204 877783012 /nfs/dbraw/zinc/78/30/12/877783012.db2.gz XNXLUIIVIKUZTB-UHFFFAOYSA-N 2 2 398.551 3.525 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000788245182 877947124 /nfs/dbraw/zinc/94/71/24/877947124.db2.gz PVQVVUXYELYSFQ-ZWKOTPCHSA-N 2 2 376.545 3.578 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000551898328 877972513 /nfs/dbraw/zinc/97/25/13/877972513.db2.gz ADJXOLYQEOOJJA-UHFFFAOYSA-N 2 2 397.548 3.892 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000551898328 877972533 /nfs/dbraw/zinc/97/25/33/877972533.db2.gz ADJXOLYQEOOJJA-UHFFFAOYSA-N 2 2 397.548 3.892 20 0 GHADLP CN(C(=O)c1cc(F)c(F)c(F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245631143 878247236 /nfs/dbraw/zinc/24/72/36/878247236.db2.gz DMTLYZOHDWLFDN-RBUKOAKNSA-N 2 2 397.485 3.513 20 0 GHADLP CN(C(=O)c1cc(F)c(F)c(F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245631143 878247258 /nfs/dbraw/zinc/24/72/58/878247258.db2.gz DMTLYZOHDWLFDN-RBUKOAKNSA-N 2 2 397.485 3.513 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000245749735 878538876 /nfs/dbraw/zinc/53/88/76/878538876.db2.gz YOGIGQXRMBWQJX-ZHALLVOQSA-N 2 2 384.549 3.684 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000245749735 878538886 /nfs/dbraw/zinc/53/88/86/878538886.db2.gz YOGIGQXRMBWQJX-ZHALLVOQSA-N 2 2 384.549 3.684 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000068575647 878744551 /nfs/dbraw/zinc/74/45/51/878744551.db2.gz OFZDGZJDGPAWKI-SFHVURJKSA-N 2 2 392.906 3.718 20 0 GHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000122758923 879399574 /nfs/dbraw/zinc/39/95/74/879399574.db2.gz XVBOZJHWELRPSY-MRXNPFEDSA-N 2 2 380.496 3.526 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000538414509 879422522 /nfs/dbraw/zinc/42/25/22/879422522.db2.gz IGOYKCZZVGZTOF-LJQANCHMSA-N 2 2 382.401 3.571 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000538414509 879422536 /nfs/dbraw/zinc/42/25/36/879422536.db2.gz IGOYKCZZVGZTOF-LJQANCHMSA-N 2 2 382.401 3.571 20 0 GHADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000493504597 879475955 /nfs/dbraw/zinc/47/59/55/879475955.db2.gz SGCDXTWZVADQRP-RBBKRZOGSA-N 2 2 387.568 3.652 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccco2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246657237 879742303 /nfs/dbraw/zinc/74/23/03/879742303.db2.gz UFAAXGFSDRRRMA-WIYYLYMNSA-N 2 2 378.476 3.592 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccco2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246657237 879742316 /nfs/dbraw/zinc/74/23/16/879742316.db2.gz UFAAXGFSDRRRMA-WIYYLYMNSA-N 2 2 378.476 3.592 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000246924901 879851590 /nfs/dbraw/zinc/85/15/90/879851590.db2.gz NBYQIWWCEKLWBL-MZYLBHOOSA-N 2 2 399.579 3.555 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000246924901 879851595 /nfs/dbraw/zinc/85/15/95/879851595.db2.gz NBYQIWWCEKLWBL-MZYLBHOOSA-N 2 2 399.579 3.555 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000246924901 879851610 /nfs/dbraw/zinc/85/16/10/879851610.db2.gz NBYQIWWCEKLWBL-MZYLBHOOSA-N 2 2 399.579 3.555 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000246924901 879851616 /nfs/dbraw/zinc/85/16/16/879851616.db2.gz NBYQIWWCEKLWBL-MZYLBHOOSA-N 2 2 399.579 3.555 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000246957295 879861989 /nfs/dbraw/zinc/86/19/89/879861989.db2.gz JOMWXDBLBDVXFE-WMZHIEFXSA-N 2 2 379.548 3.980 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000246957295 879862006 /nfs/dbraw/zinc/86/20/06/879862006.db2.gz JOMWXDBLBDVXFE-WMZHIEFXSA-N 2 2 379.548 3.980 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cccc2ccccc21 ZINC000246964762 879865661 /nfs/dbraw/zinc/86/56/61/879865661.db2.gz VDGXHTRLDPEBPL-NRYAXDJKSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cccc2ccccc21 ZINC000246964762 879865673 /nfs/dbraw/zinc/86/56/73/879865673.db2.gz VDGXHTRLDPEBPL-NRYAXDJKSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc2ccccc21 ZINC000246964762 879865691 /nfs/dbraw/zinc/86/56/91/879865691.db2.gz VDGXHTRLDPEBPL-NRYAXDJKSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc2ccccc21 ZINC000246964762 879865712 /nfs/dbraw/zinc/86/57/12/879865712.db2.gz VDGXHTRLDPEBPL-NRYAXDJKSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247035649 879895787 /nfs/dbraw/zinc/89/57/87/879895787.db2.gz RNDOLEYAXKMHBD-NJYVYQBISA-N 2 2 383.580 3.546 20 0 GHADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247035649 879895805 /nfs/dbraw/zinc/89/58/05/879895805.db2.gz RNDOLEYAXKMHBD-NJYVYQBISA-N 2 2 383.580 3.546 20 0 GHADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247035649 879895819 /nfs/dbraw/zinc/89/58/19/879895819.db2.gz RNDOLEYAXKMHBD-NJYVYQBISA-N 2 2 383.580 3.546 20 0 GHADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247035649 879895828 /nfs/dbraw/zinc/89/58/28/879895828.db2.gz RNDOLEYAXKMHBD-NJYVYQBISA-N 2 2 383.580 3.546 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2ccccc2)cc1 ZINC000494074976 879899021 /nfs/dbraw/zinc/89/90/21/879899021.db2.gz KATRYIYCCLPFFL-TZRRMPRUSA-N 2 2 380.532 3.752 20 0 GHADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247131704 879926447 /nfs/dbraw/zinc/92/64/47/879926447.db2.gz ZSWODFAONCSLRP-QRVBRYPASA-N 2 2 389.609 3.608 20 0 GHADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247131704 879926460 /nfs/dbraw/zinc/92/64/60/879926460.db2.gz ZSWODFAONCSLRP-QRVBRYPASA-N 2 2 389.609 3.608 20 0 GHADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247131704 879926464 /nfs/dbraw/zinc/92/64/64/879926464.db2.gz ZSWODFAONCSLRP-QRVBRYPASA-N 2 2 389.609 3.608 20 0 GHADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247131704 879926482 /nfs/dbraw/zinc/92/64/82/879926482.db2.gz ZSWODFAONCSLRP-QRVBRYPASA-N 2 2 389.609 3.608 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCC1 ZINC000452728090 879927335 /nfs/dbraw/zinc/92/73/35/879927335.db2.gz HUFIUOLGKPZVOX-UHFFFAOYSA-N 2 2 388.515 3.716 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCC1 ZINC000452728090 879927345 /nfs/dbraw/zinc/92/73/45/879927345.db2.gz HUFIUOLGKPZVOX-UHFFFAOYSA-N 2 2 388.515 3.716 20 0 GHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000140391005 879954053 /nfs/dbraw/zinc/95/40/53/879954053.db2.gz DYEBLRPPDOEUQP-RBUKOAKNSA-N 2 2 397.567 3.514 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000247776392 880065035 /nfs/dbraw/zinc/06/50/35/880065035.db2.gz WWFGISUNDMQPKI-SUNYJGFJSA-N 2 2 395.334 3.950 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000247776392 880065049 /nfs/dbraw/zinc/06/50/49/880065049.db2.gz WWFGISUNDMQPKI-SUNYJGFJSA-N 2 2 395.334 3.950 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(-c2ccccc2)nn1C ZINC000453071100 880393190 /nfs/dbraw/zinc/39/31/90/880393190.db2.gz WSXJRRKSINPAFQ-IBGZPJMESA-N 2 2 390.531 3.770 20 0 GHADLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C12CCCC2 ZINC000453319001 880790814 /nfs/dbraw/zinc/79/08/14/880790814.db2.gz CIQPABUZICBSKS-DHIUTWEWSA-N 2 2 399.579 3.937 20 0 GHADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000532016338 880930939 /nfs/dbraw/zinc/93/09/39/880930939.db2.gz VVONQTVUZVWDTL-FCHUYYIVSA-N 2 2 396.579 3.637 20 0 GHADLP Fc1ccc([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2cccnc2)cc1 ZINC000542479392 880932178 /nfs/dbraw/zinc/93/21/78/880932178.db2.gz RFONXYFMYDPDCV-DEOSSOPVSA-N 2 2 391.490 3.932 20 0 GHADLP C[C@H]1C[C@H](C[NH+]2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)CCO1 ZINC000453578825 881083549 /nfs/dbraw/zinc/08/35/49/881083549.db2.gz VBMSBOUPFNHHDS-RBUKOAKNSA-N 2 2 391.987 3.742 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccnn1-c1ccccc1 ZINC000467348497 881136588 /nfs/dbraw/zinc/13/65/88/881136588.db2.gz GARRXCXLCXEJSL-PXNSSMCTSA-N 2 2 376.508 3.581 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](CC3CC3)c3ccccc3)CC2)CC1 ZINC000643379973 912670643 /nfs/dbraw/zinc/67/06/43/912670643.db2.gz ZXPMLCQISMTHQM-HSZRJFAPSA-N 2 2 398.595 3.729 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](CC3CC3)c3ccccc3)CC2)CC1 ZINC000643379973 912670653 /nfs/dbraw/zinc/67/06/53/912670653.db2.gz ZXPMLCQISMTHQM-HSZRJFAPSA-N 2 2 398.595 3.729 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1C ZINC000116540376 883586527 /nfs/dbraw/zinc/58/65/27/883586527.db2.gz OQYDFQIJLPRNAJ-GOSISDBHSA-N 2 2 396.535 3.732 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)N(Cc2ccco2)Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000136086925 883654470 /nfs/dbraw/zinc/65/44/70/883654470.db2.gz FNWIGSJFUCHUOP-UGKGYDQZSA-N 2 2 392.503 3.588 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccco2)Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000136086925 883654481 /nfs/dbraw/zinc/65/44/81/883654481.db2.gz FNWIGSJFUCHUOP-UGKGYDQZSA-N 2 2 392.503 3.588 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2nc3sc4c(c3c(N)n2)CCCC4)cc1 ZINC000859214867 883668797 /nfs/dbraw/zinc/66/87/97/883668797.db2.gz PWMKJDTWSMNMOK-UHFFFAOYSA-N 2 2 395.576 3.846 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2nc3sc4c(c3c(N)n2)CCCC4)cc1 ZINC000859214867 883668808 /nfs/dbraw/zinc/66/88/08/883668808.db2.gz PWMKJDTWSMNMOK-UHFFFAOYSA-N 2 2 395.576 3.846 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccnc3C(F)(F)F)C2)ccn1 ZINC000859363524 883776254 /nfs/dbraw/zinc/77/62/54/883776254.db2.gz NVBGAWLEBSZNHO-GOSISDBHSA-N 2 2 394.441 3.600 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccnc3C(F)(F)F)C2)ccn1 ZINC000859363524 883776262 /nfs/dbraw/zinc/77/62/62/883776262.db2.gz NVBGAWLEBSZNHO-GOSISDBHSA-N 2 2 394.441 3.600 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccnc3C(F)(F)F)C2)ccn1 ZINC000859363524 883776272 /nfs/dbraw/zinc/77/62/72/883776272.db2.gz NVBGAWLEBSZNHO-GOSISDBHSA-N 2 2 394.441 3.600 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccnc3C(F)(F)F)C2)ccn1 ZINC000859363524 883776279 /nfs/dbraw/zinc/77/62/79/883776279.db2.gz NVBGAWLEBSZNHO-GOSISDBHSA-N 2 2 394.441 3.600 20 0 GHADLP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000188770827 883881748 /nfs/dbraw/zinc/88/17/48/883881748.db2.gz SVPOGHOKMKQULW-SFHVURJKSA-N 2 2 398.551 3.743 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)C[C@@H]1c1ccccc1 ZINC000556177961 884024143 /nfs/dbraw/zinc/02/41/43/884024143.db2.gz RSWIWUKKENUEOB-PKOBYXMFSA-N 2 2 392.952 3.669 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)C[C@@H]1c1ccccc1 ZINC000556177961 884024162 /nfs/dbraw/zinc/02/41/62/884024162.db2.gz RSWIWUKKENUEOB-PKOBYXMFSA-N 2 2 392.952 3.669 20 0 GHADLP Cn1nc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cc1C(F)(F)F ZINC000898018581 884556817 /nfs/dbraw/zinc/55/68/17/884556817.db2.gz BEDIWMJZHBRIOP-JZXOWHBKSA-N 2 2 378.442 3.582 20 0 GHADLP Cn1nc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1C(F)(F)F ZINC000898018581 884556828 /nfs/dbraw/zinc/55/68/28/884556828.db2.gz BEDIWMJZHBRIOP-JZXOWHBKSA-N 2 2 378.442 3.582 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000130480175 884680119 /nfs/dbraw/zinc/68/01/19/884680119.db2.gz WXSLGKROPNGHOR-ZIAGYGMSSA-N 2 2 399.564 3.697 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000130480175 884680126 /nfs/dbraw/zinc/68/01/26/884680126.db2.gz WXSLGKROPNGHOR-ZIAGYGMSSA-N 2 2 399.564 3.697 20 0 GHADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000556388217 884726580 /nfs/dbraw/zinc/72/65/80/884726580.db2.gz YCPIYXGCNAHCOS-KRWDZBQOSA-N 2 2 379.957 3.646 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000550586966 885059368 /nfs/dbraw/zinc/05/93/68/885059368.db2.gz FMMMPGJQYKDNPO-OALUTQOASA-N 2 2 377.532 3.607 20 0 GHADLP CCN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CC[N@H+](CC)C1 ZINC000666452044 885100591 /nfs/dbraw/zinc/10/05/91/885100591.db2.gz UYERITZVBCGCKM-SFHVURJKSA-N 2 2 379.508 3.550 20 0 GHADLP CCN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CC[N@@H+](CC)C1 ZINC000666452044 885100600 /nfs/dbraw/zinc/10/06/00/885100600.db2.gz UYERITZVBCGCKM-SFHVURJKSA-N 2 2 379.508 3.550 20 0 GHADLP COCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000655766577 885380332 /nfs/dbraw/zinc/38/03/32/885380332.db2.gz RUFUFSDRTJVDKM-QFBILLFUSA-N 2 2 387.351 3.914 20 0 GHADLP CC(C)Cc1ccc([C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)N(C)C)cc1 ZINC000655768657 885532435 /nfs/dbraw/zinc/53/24/35/885532435.db2.gz LMOUGTOBILGVKR-DNQXCXABSA-N 2 2 387.612 3.721 20 0 GHADLP O=C(CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000044858148 885573731 /nfs/dbraw/zinc/57/37/31/885573731.db2.gz FUXUXLLDXYHPNA-QFIPXVFZSA-N 2 2 398.938 3.515 20 0 GHADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cc2ccccc2s1 ZINC000170956325 885641571 /nfs/dbraw/zinc/64/15/71/885641571.db2.gz LYFWCUDGIGYSCQ-INIZCTEOSA-N 2 2 388.581 3.630 20 0 GHADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cc2ccccc2s1 ZINC000170956325 885641583 /nfs/dbraw/zinc/64/15/83/885641583.db2.gz LYFWCUDGIGYSCQ-INIZCTEOSA-N 2 2 388.581 3.630 20 0 GHADLP C[C@H]1[C@@H]([NH2+]CCc2cc(F)cc3c2OCOC3)CCC[N@@H+]1Cc1ccccc1 ZINC000550644025 885715002 /nfs/dbraw/zinc/71/50/02/885715002.db2.gz JXNAGHJNZZMUSB-JTSKRJEESA-N 2 2 384.495 3.877 20 0 GHADLP C[C@H]1[C@@H]([NH2+]CCc2cc(F)cc3c2OCOC3)CCC[N@H+]1Cc1ccccc1 ZINC000550644025 885715016 /nfs/dbraw/zinc/71/50/16/885715016.db2.gz JXNAGHJNZZMUSB-JTSKRJEESA-N 2 2 384.495 3.877 20 0 GHADLP CN(C(=O)c1cc2[nH]ccc2s1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000476469385 885954204 /nfs/dbraw/zinc/95/42/04/885954204.db2.gz GOVBERCDVNLWCR-ROUUACIJSA-N 2 2 388.581 3.639 20 0 GHADLP CN(C(=O)c1cc2[nH]ccc2s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000476469385 885954210 /nfs/dbraw/zinc/95/42/10/885954210.db2.gz GOVBERCDVNLWCR-ROUUACIJSA-N 2 2 388.581 3.639 20 0 GHADLP Cc1ccsc1C[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499016472 886364337 /nfs/dbraw/zinc/36/43/37/886364337.db2.gz LGFTVNQXXBSDEL-UHFFFAOYSA-N 2 2 389.590 3.676 20 0 GHADLP Cc1ccsc1C[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499016472 886364357 /nfs/dbraw/zinc/36/43/57/886364357.db2.gz LGFTVNQXXBSDEL-UHFFFAOYSA-N 2 2 389.590 3.676 20 0 GHADLP CC1CC[NH+](CCCNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000131790481 886551036 /nfs/dbraw/zinc/55/10/36/886551036.db2.gz HQRRDAAISIUHOE-FCHUYYIVSA-N 2 2 395.551 3.533 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000119374443 886630364 /nfs/dbraw/zinc/63/03/64/886630364.db2.gz BCNPWAPNIBXBHW-RTWAWAEBSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000119374443 886630370 /nfs/dbraw/zinc/63/03/70/886630370.db2.gz BCNPWAPNIBXBHW-RTWAWAEBSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000119413055 886667974 /nfs/dbraw/zinc/66/79/74/886667974.db2.gz FZYGKSIULBKNIM-RTWAWAEBSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000119413055 886667989 /nfs/dbraw/zinc/66/79/89/886667989.db2.gz FZYGKSIULBKNIM-RTWAWAEBSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ccc(-n4ccnc4)nc3)C2)s1 ZINC000809558983 887537864 /nfs/dbraw/zinc/53/78/64/887537864.db2.gz FTRLIVPWPVWMIL-LJQANCHMSA-N 2 2 381.549 3.591 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ccc(-n4ccnc4)nc3)C2)s1 ZINC000809558983 887537878 /nfs/dbraw/zinc/53/78/78/887537878.db2.gz FTRLIVPWPVWMIL-LJQANCHMSA-N 2 2 381.549 3.591 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3ccc(-n4ccnc4)nc3)C2)s1 ZINC000809558983 887537892 /nfs/dbraw/zinc/53/78/92/887537892.db2.gz FTRLIVPWPVWMIL-LJQANCHMSA-N 2 2 381.549 3.591 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3ccc(-n4ccnc4)nc3)C2)s1 ZINC000809558983 887537904 /nfs/dbraw/zinc/53/79/04/887537904.db2.gz FTRLIVPWPVWMIL-LJQANCHMSA-N 2 2 381.549 3.591 20 0 GHADLP O=C1CCCN1C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000459365421 887724993 /nfs/dbraw/zinc/72/49/93/887724993.db2.gz BHQPOCDGHAYKLU-IBGZPJMESA-N 2 2 395.469 3.585 20 0 GHADLP CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000133826055 887805163 /nfs/dbraw/zinc/80/51/63/887805163.db2.gz ZQWXNHGSYKQVPH-NHCUHLMSSA-N 2 2 395.551 3.674 20 0 GHADLP O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001184403893 913186244 /nfs/dbraw/zinc/18/62/44/913186244.db2.gz SKHJQSFQQKQERQ-GOSISDBHSA-N 2 2 386.927 3.681 20 0 GHADLP O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001184403893 913186247 /nfs/dbraw/zinc/18/62/47/913186247.db2.gz SKHJQSFQQKQERQ-GOSISDBHSA-N 2 2 386.927 3.681 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000025361209 887893560 /nfs/dbraw/zinc/89/35/60/887893560.db2.gz LWDGXOOBZPUAFS-WMZHIEFXSA-N 2 2 395.522 3.868 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000025361209 887893571 /nfs/dbraw/zinc/89/35/71/887893571.db2.gz LWDGXOOBZPUAFS-WMZHIEFXSA-N 2 2 395.522 3.868 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134876881 887923223 /nfs/dbraw/zinc/92/32/23/887923223.db2.gz WSSWFPYXBWUAOE-HNBVOPMISA-N 2 2 387.593 3.749 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134876881 887923230 /nfs/dbraw/zinc/92/32/30/887923230.db2.gz WSSWFPYXBWUAOE-HNBVOPMISA-N 2 2 387.593 3.749 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134876881 887923238 /nfs/dbraw/zinc/92/32/38/887923238.db2.gz WSSWFPYXBWUAOE-HNBVOPMISA-N 2 2 387.593 3.749 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134876881 887923241 /nfs/dbraw/zinc/92/32/41/887923241.db2.gz WSSWFPYXBWUAOE-HNBVOPMISA-N 2 2 387.593 3.749 20 0 GHADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000810171037 888230816 /nfs/dbraw/zinc/23/08/16/888230816.db2.gz DOVATVJEKZXLCZ-ZDUSSCGKSA-N 2 2 376.291 3.858 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 ZINC000865480964 888377053 /nfs/dbraw/zinc/37/70/53/888377053.db2.gz CMPPCPUDHVDXIL-QFIPXVFZSA-N 2 2 388.515 3.730 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000194834886 888625655 /nfs/dbraw/zinc/62/56/55/888625655.db2.gz WPUJJFOVCCQYDG-UXHICEINSA-N 2 2 393.934 3.605 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000194834886 888625666 /nfs/dbraw/zinc/62/56/66/888625666.db2.gz WPUJJFOVCCQYDG-UXHICEINSA-N 2 2 393.934 3.605 20 0 GHADLP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000868183356 889338524 /nfs/dbraw/zinc/33/85/24/889338524.db2.gz GHWPRHYARWBJRH-LRSLUSHPSA-N 2 2 387.487 3.748 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000124353353 889603258 /nfs/dbraw/zinc/60/32/58/889603258.db2.gz KVODSQRXWJTUSR-UHFFFAOYSA-N 2 2 375.687 3.804 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000124353353 889603260 /nfs/dbraw/zinc/60/32/60/889603260.db2.gz KVODSQRXWJTUSR-UHFFFAOYSA-N 2 2 375.687 3.804 20 0 GHADLP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000124661482 889713826 /nfs/dbraw/zinc/71/38/26/889713826.db2.gz KSCCORIRKUDBNU-IBGZPJMESA-N 2 2 380.536 3.508 20 0 GHADLP Cc1c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)sc2nc(C)nc(C)c12 ZINC000916835735 890272746 /nfs/dbraw/zinc/27/27/46/890272746.db2.gz XHGKKJCSKUOORE-UHFFFAOYSA-N 2 2 396.560 3.739 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000533362090 890338864 /nfs/dbraw/zinc/33/88/64/890338864.db2.gz OICGYDIIIZWICO-INIZCTEOSA-N 2 2 378.476 3.749 20 0 GHADLP [NH3+]C[C@H]([NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)c1ccc(Br)cc1 ZINC001170672576 890496874 /nfs/dbraw/zinc/49/68/74/890496874.db2.gz ISKPLILCXCVBGU-QAPCUYQASA-N 2 2 381.264 3.874 20 0 GHADLP Fc1cccc2c(C[N@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)c[nH]c21 ZINC001137054192 890561060 /nfs/dbraw/zinc/56/10/60/890561060.db2.gz OKFPPVUFXCZEOX-UHFFFAOYSA-N 2 2 381.499 3.548 20 0 GHADLP Fc1cccc2c(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)c[nH]c21 ZINC001137054192 890561065 /nfs/dbraw/zinc/56/10/65/890561065.db2.gz OKFPPVUFXCZEOX-UHFFFAOYSA-N 2 2 381.499 3.548 20 0 GHADLP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)CC2)CC1 ZINC000246273588 890913691 /nfs/dbraw/zinc/91/36/91/890913691.db2.gz AXRSNZZMMYFICJ-UEGSCFCSSA-N 3 2 384.612 3.925 20 0 GHADLP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)CC2)CC1 ZINC000246273588 890913705 /nfs/dbraw/zinc/91/37/05/890913705.db2.gz AXRSNZZMMYFICJ-UEGSCFCSSA-N 3 2 384.612 3.925 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CCN(c4ccccc4F)C3)CC2)cc1 ZINC000812735388 890916559 /nfs/dbraw/zinc/91/65/59/890916559.db2.gz CSBSGSIZVJTYJB-IBGZPJMESA-N 2 2 396.554 3.977 20 0 GHADLP Cc1cc(C)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c(C)[nH+]1 ZINC000455463444 890983973 /nfs/dbraw/zinc/98/39/73/890983973.db2.gz CWGJZQWELPJWEZ-UHFFFAOYSA-N 2 2 376.451 3.881 20 0 GHADLP CN1CC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@@H]1c1ccccc1 ZINC000812841085 891030262 /nfs/dbraw/zinc/03/02/62/891030262.db2.gz MIPTWJDHFCDVFV-RPWUZVMVSA-N 2 2 378.564 3.756 20 0 GHADLP COCC[N@H+](C)CC[C@@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC000455483853 891031855 /nfs/dbraw/zinc/03/18/55/891031855.db2.gz QMSZFPFSCFAVTK-HXUWFJFHSA-N 2 2 384.524 3.838 20 0 GHADLP COCC[N@@H+](C)CC[C@@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC000455483853 891031865 /nfs/dbraw/zinc/03/18/65/891031865.db2.gz QMSZFPFSCFAVTK-HXUWFJFHSA-N 2 2 384.524 3.838 20 0 GHADLP Cc1cc(C)c(NC(=O)NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)[nH+]1 ZINC000455490224 891043642 /nfs/dbraw/zinc/04/36/42/891043642.db2.gz WNAVMJNHCCYWIL-ROUUACIJSA-N 2 2 396.535 3.938 20 0 GHADLP CN(C(=O)NCCCC1CCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533665287 891074385 /nfs/dbraw/zinc/07/43/85/891074385.db2.gz WERLYGFZKSMSAY-YADHBBJMSA-N 2 2 392.632 3.935 20 0 GHADLP CN(C(=O)NCCCC1CCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533665287 891074397 /nfs/dbraw/zinc/07/43/97/891074397.db2.gz WERLYGFZKSMSAY-YADHBBJMSA-N 2 2 392.632 3.935 20 0 GHADLP CC(C)(C)OC(=O)Nc1cc(F)cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000872124861 891170090 /nfs/dbraw/zinc/17/00/90/891170090.db2.gz KCVLZKWGVSKGPG-LJQANCHMSA-N 2 2 393.503 3.516 20 0 GHADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)C[C@H](C)O1 ZINC000067379466 891285356 /nfs/dbraw/zinc/28/53/56/891285356.db2.gz UCDXDWXUZLPTJY-HOTGVXAUSA-N 2 2 375.538 3.724 20 0 GHADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497471006 891647081 /nfs/dbraw/zinc/64/70/81/891647081.db2.gz RMLKGXQJHYHTJB-TZIWHRDSSA-N 2 2 381.511 3.728 20 0 GHADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497471006 891647090 /nfs/dbraw/zinc/64/70/90/891647090.db2.gz RMLKGXQJHYHTJB-TZIWHRDSSA-N 2 2 381.511 3.728 20 0 GHADLP C[NH+](C)CCCN(C(=O)Cc1[nH]cc[nH+]1)C(c1ccccc1)c1ccccc1 ZINC000825692789 891789426 /nfs/dbraw/zinc/78/94/26/891789426.db2.gz MYRQTSLNULGSCZ-UHFFFAOYSA-N 2 2 376.504 3.522 20 0 GHADLP Cc1nc(Cl)sc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124838262 891995845 /nfs/dbraw/zinc/99/58/45/891995845.db2.gz RYVTYLKHNIMPNB-HOTGVXAUSA-N 2 2 399.004 3.514 20 0 GHADLP Cc1nc(Cl)sc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124838262 891995854 /nfs/dbraw/zinc/99/58/54/891995854.db2.gz RYVTYLKHNIMPNB-HOTGVXAUSA-N 2 2 399.004 3.514 20 0 GHADLP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(OC)cc1 ZINC000162024656 892018181 /nfs/dbraw/zinc/01/81/81/892018181.db2.gz HEJKSYBSYADERZ-JOCHJYFZSA-N 2 2 384.520 3.647 20 0 GHADLP Clc1ccc(OCC2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)cn1 ZINC000825726535 892114369 /nfs/dbraw/zinc/11/43/69/892114369.db2.gz REDNOJYXDXGEMH-UHFFFAOYSA-N 2 2 383.883 3.607 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NCC3([NH+](C)C)CCCCCC3)cn2c1 ZINC000497691647 892168492 /nfs/dbraw/zinc/16/84/92/892168492.db2.gz IMPHWPCCSYWQAD-UHFFFAOYSA-N 2 2 388.581 3.647 20 0 GHADLP CC(C)Oc1ccc([C@@H](O)C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000125486415 892707688 /nfs/dbraw/zinc/70/76/88/892707688.db2.gz YRIPAFAPGGPGCB-DEOSSOPVSA-N 2 2 397.563 3.832 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000162651657 892951401 /nfs/dbraw/zinc/95/14/01/892951401.db2.gz PBVOUUOJJOSWHE-AVRDEDQJSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000162651657 892951425 /nfs/dbraw/zinc/95/14/25/892951425.db2.gz PBVOUUOJJOSWHE-AVRDEDQJSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508723380 892988439 /nfs/dbraw/zinc/98/84/39/892988439.db2.gz WHXHSSVWOCDXFV-URXFXBBRSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508723380 892988442 /nfs/dbraw/zinc/98/84/42/892988442.db2.gz WHXHSSVWOCDXFV-URXFXBBRSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000129398992 893345702 /nfs/dbraw/zinc/34/57/02/893345702.db2.gz KQAJLYZNCHXQMX-GLJUWKHASA-N 2 2 395.334 3.950 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000129398992 893345720 /nfs/dbraw/zinc/34/57/20/893345720.db2.gz KQAJLYZNCHXQMX-GLJUWKHASA-N 2 2 395.334 3.950 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000778216785 893390412 /nfs/dbraw/zinc/39/04/12/893390412.db2.gz PLPMCVKNQWLDNE-PBHICJAKSA-N 2 2 376.526 3.669 20 0 GHADLP C[C@H]1C[N@H+](Cc2cnc(C3CCCCC3)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536664313 893476172 /nfs/dbraw/zinc/47/61/72/893476172.db2.gz KTKHNMYHPXMMJO-PXNSSMCTSA-N 2 2 376.614 3.649 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cnc(C3CCCCC3)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536664313 893476180 /nfs/dbraw/zinc/47/61/80/893476180.db2.gz KTKHNMYHPXMMJO-PXNSSMCTSA-N 2 2 376.614 3.649 20 0 GHADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000536851898 893936079 /nfs/dbraw/zinc/93/60/79/893936079.db2.gz NJKKCUVASJLZQU-OXJNMPFZSA-N 2 2 399.000 3.746 20 0 GHADLP C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536852002 893936152 /nfs/dbraw/zinc/93/61/52/893936152.db2.gz OPHDMFSQSZVGOU-WBVHZDCISA-N 2 2 380.879 3.982 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2)cs1 ZINC000129816888 893991497 /nfs/dbraw/zinc/99/14/97/893991497.db2.gz KHYKXOZIIJSPQZ-MGPUTAFESA-N 2 2 395.532 3.837 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2)cs1 ZINC000129816888 893991510 /nfs/dbraw/zinc/99/15/10/893991510.db2.gz KHYKXOZIIJSPQZ-MGPUTAFESA-N 2 2 395.532 3.837 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](C)C[C@H]3CC=CCC3)n2)CC1 ZINC000564154238 894657129 /nfs/dbraw/zinc/65/71/29/894657129.db2.gz YPJDVQIFOLFATM-KRWDZBQOSA-N 2 2 376.570 3.602 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](C)C[C@H]3CC=CCC3)n2)CC1 ZINC000564154238 894657139 /nfs/dbraw/zinc/65/71/39/894657139.db2.gz YPJDVQIFOLFATM-KRWDZBQOSA-N 2 2 376.570 3.602 20 0 GHADLP c1cc(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)ccc1C[NH+]1CCOCC1 ZINC000879553216 895132718 /nfs/dbraw/zinc/13/27/18/895132718.db2.gz GTIYTPKPXKRZIE-UHFFFAOYSA-N 2 2 396.535 3.549 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc4ccccc4c(Cl)n3)CC2)CC1 ZINC000817285235 895437132 /nfs/dbraw/zinc/43/71/32/895437132.db2.gz HVNKBWPOOFKAFX-UHFFFAOYSA-N 2 2 386.971 3.880 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc4ccccc4c(Cl)n3)CC2)CC1 ZINC000817285235 895437139 /nfs/dbraw/zinc/43/71/39/895437139.db2.gz HVNKBWPOOFKAFX-UHFFFAOYSA-N 2 2 386.971 3.880 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc4ccccc4c(Cl)n3)CC2)CC1 ZINC000817285235 895437145 /nfs/dbraw/zinc/43/71/45/895437145.db2.gz HVNKBWPOOFKAFX-UHFFFAOYSA-N 2 2 386.971 3.880 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc4ccccc4c(Cl)n3)CC2)CC1 ZINC000817285235 895437157 /nfs/dbraw/zinc/43/71/57/895437157.db2.gz HVNKBWPOOFKAFX-UHFFFAOYSA-N 2 2 386.971 3.880 20 0 GHADLP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000817407394 895586470 /nfs/dbraw/zinc/58/64/70/895586470.db2.gz MLFVIIQNTKSSMT-YADHBBJMSA-N 2 2 380.536 3.618 20 0 GHADLP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000817407394 895586478 /nfs/dbraw/zinc/58/64/78/895586478.db2.gz MLFVIIQNTKSSMT-YADHBBJMSA-N 2 2 380.536 3.618 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=S)Nc3cccc(Cl)c3C)CC2)CC1 ZINC000817566485 895737182 /nfs/dbraw/zinc/73/71/82/895737182.db2.gz NBFQNRBLPAEVEW-UHFFFAOYSA-N 2 2 395.016 3.837 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=S)Nc3cccc(Cl)c3C)CC2)CC1 ZINC000817566485 895737197 /nfs/dbraw/zinc/73/71/97/895737197.db2.gz NBFQNRBLPAEVEW-UHFFFAOYSA-N 2 2 395.016 3.837 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=S)Nc3ccccc3Cl)CC2)CC1 ZINC000817568167 895739039 /nfs/dbraw/zinc/73/90/39/895739039.db2.gz ZUXAGUYWCLQWNO-UHFFFAOYSA-N 2 2 380.989 3.529 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=S)Nc3ccccc3Cl)CC2)CC1 ZINC000817568167 895739055 /nfs/dbraw/zinc/73/90/55/895739055.db2.gz ZUXAGUYWCLQWNO-UHFFFAOYSA-N 2 2 380.989 3.529 20 0 GHADLP Brc1csc([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)n1 ZINC000817574904 895743448 /nfs/dbraw/zinc/74/34/48/895743448.db2.gz DKHVCKLDWAMALT-OAHLLOKOSA-N 2 2 381.343 3.722 20 0 GHADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571058 895752265 /nfs/dbraw/zinc/75/22/65/895752265.db2.gz NAFOLMSRXSQOAV-KKSFZXQISA-N 2 2 398.457 3.712 20 0 GHADLP c1cn(C[C@@H]([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)c2ccccc2)c[nH+]1 ZINC000880570937 895752973 /nfs/dbraw/zinc/75/29/73/895752973.db2.gz ZYWGBXBCDOFVJG-DHIUTWEWSA-N 2 2 377.488 3.972 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)Cc3cn4cccc(C)c4[nH+]3)C2)s1 ZINC000565657545 895790421 /nfs/dbraw/zinc/79/04/21/895790421.db2.gz QKDOOYMPKQSSNB-SFHVURJKSA-N 2 2 396.560 3.536 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)Cc3cn4cccc(C)c4[nH+]3)C2)s1 ZINC000565657545 895790429 /nfs/dbraw/zinc/79/04/29/895790429.db2.gz QKDOOYMPKQSSNB-SFHVURJKSA-N 2 2 396.560 3.536 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCCC1)c1ccccc1 ZINC000565793579 895884130 /nfs/dbraw/zinc/88/41/30/895884130.db2.gz IUQTVENMEBUXMB-GOSISDBHSA-N 2 2 395.551 3.962 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000819182766 896452553 /nfs/dbraw/zinc/45/25/53/896452553.db2.gz HZFHUGPSYMOMMU-YWZLYKJASA-N 2 2 393.453 3.949 20 0 GHADLP Cc1ccc([C@H]([NH3+])C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000566915373 896692599 /nfs/dbraw/zinc/69/25/99/896692599.db2.gz XJAOWCYBQOTHKH-ACRUOGEOSA-N 2 2 387.474 3.613 20 0 GHADLP Cc1ccc([C@H]([NH3+])C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000566915373 896692606 /nfs/dbraw/zinc/69/26/06/896692606.db2.gz XJAOWCYBQOTHKH-ACRUOGEOSA-N 2 2 387.474 3.613 20 0 GHADLP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000819864530 897022267 /nfs/dbraw/zinc/02/22/67/897022267.db2.gz ACEMJFSFSFFVCQ-NRFANRHFSA-N 2 2 376.504 3.652 20 0 GHADLP COCc1cc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)ccc1OC ZINC000567600219 897283618 /nfs/dbraw/zinc/28/36/18/897283618.db2.gz MEUAVIQOUURYJF-OXQOHEQNSA-N 2 2 384.524 3.550 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1sccc1Br ZINC000883288495 897453014 /nfs/dbraw/zinc/45/30/14/897453014.db2.gz HNGUGGJACKILAB-RHSMWYFYSA-N 2 2 394.382 3.948 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1sccc1Br ZINC000883288495 897453019 /nfs/dbraw/zinc/45/30/19/897453019.db2.gz HNGUGGJACKILAB-RHSMWYFYSA-N 2 2 394.382 3.948 20 0 GHADLP Cc1noc(C2CCC([NH2+]c3ccc(N4CC[N@@H+]5CCC[C@@H]5C4)cc3)CC2)n1 ZINC000883346552 897518119 /nfs/dbraw/zinc/51/81/19/897518119.db2.gz CAIUIABDVBAVIR-WIXQSORDSA-N 2 2 381.524 3.801 20 0 GHADLP Cc1noc(C2CCC([NH2+]c3ccc(N4CC[N@H+]5CCC[C@@H]5C4)cc3)CC2)n1 ZINC000883346552 897518129 /nfs/dbraw/zinc/51/81/29/897518129.db2.gz CAIUIABDVBAVIR-WIXQSORDSA-N 2 2 381.524 3.801 20 0 GHADLP CC[C@H](C)[NH+]1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000568036288 897548908 /nfs/dbraw/zinc/54/89/08/897548908.db2.gz HKUOLISGTOVRJJ-KRWDZBQOSA-N 2 2 381.524 3.834 20 0 GHADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001136393891 897619605 /nfs/dbraw/zinc/61/96/05/897619605.db2.gz BCAZHADPSRQJRR-UWVAXJGDSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001136393891 897619612 /nfs/dbraw/zinc/61/96/12/897619612.db2.gz BCAZHADPSRQJRR-UWVAXJGDSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001136393891 897619618 /nfs/dbraw/zinc/61/96/18/897619618.db2.gz BCAZHADPSRQJRR-UWVAXJGDSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001136393891 897619624 /nfs/dbraw/zinc/61/96/24/897619624.db2.gz BCAZHADPSRQJRR-UWVAXJGDSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000883601826 897750824 /nfs/dbraw/zinc/75/08/24/897750824.db2.gz HCGXLSRKTXOPAW-DWLFOUALSA-N 2 2 395.551 3.577 20 0 GHADLP C[C@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000883601826 897750835 /nfs/dbraw/zinc/75/08/35/897750835.db2.gz HCGXLSRKTXOPAW-DWLFOUALSA-N 2 2 395.551 3.577 20 0 GHADLP [NH3+]CCCC[C@H]([NH2+][C@H]1CCc2cccc(F)c2C1)C(=O)OCc1ccccc1 ZINC001170960697 897795803 /nfs/dbraw/zinc/79/58/03/897795803.db2.gz FKPAEBOSLQXQRX-UGKGYDQZSA-N 2 2 384.495 3.514 20 0 GHADLP CC[NH+]1CCC(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)(c2ccccc2)CC1 ZINC001136428482 897803790 /nfs/dbraw/zinc/80/37/90/897803790.db2.gz ATZLGLPEWJIANV-UHFFFAOYSA-N 2 2 388.515 3.542 20 0 GHADLP Cc1cccc2ncc(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)n21 ZINC001137196478 897899783 /nfs/dbraw/zinc/89/97/83/897899783.db2.gz HVTKIYDVOAQWEA-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2ncc(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)n21 ZINC001137196478 897899791 /nfs/dbraw/zinc/89/97/91/897899791.db2.gz HVTKIYDVOAQWEA-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2ncc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)n21 ZINC001137196478 897899799 /nfs/dbraw/zinc/89/97/99/897899799.db2.gz HVTKIYDVOAQWEA-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2ncc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)n21 ZINC001137196478 897899805 /nfs/dbraw/zinc/89/98/05/897899805.db2.gz HVTKIYDVOAQWEA-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(-c2c(F)cccc2F)cc1 ZINC000569294490 898515358 /nfs/dbraw/zinc/51/53/58/898515358.db2.gz XESUVDQPKXOJLZ-MGPUTAFESA-N 2 2 387.474 3.622 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(-c2c(F)cccc2F)cc1 ZINC000569294490 898515369 /nfs/dbraw/zinc/51/53/69/898515369.db2.gz XESUVDQPKXOJLZ-MGPUTAFESA-N 2 2 387.474 3.622 20 0 GHADLP Cc1ccncc1CCC[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000569391465 898609591 /nfs/dbraw/zinc/60/95/91/898609591.db2.gz OEKMFQQYMFFEFB-UHFFFAOYSA-N 2 2 386.971 3.778 20 0 GHADLP CC(C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)C1 ZINC001136640099 898701795 /nfs/dbraw/zinc/70/17/95/898701795.db2.gz LGTGESDXVGFUDO-KRWDZBQOSA-N 2 2 383.540 3.608 20 0 GHADLP CC(C)[N@H+]1CCC[C@H](C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)C1 ZINC001136640099 898701809 /nfs/dbraw/zinc/70/18/09/898701809.db2.gz LGTGESDXVGFUDO-KRWDZBQOSA-N 2 2 383.540 3.608 20 0 GHADLP COc1nc2ccccc2cc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001137202437 898830453 /nfs/dbraw/zinc/83/04/53/898830453.db2.gz KMWMIFVIOORLDN-RTBURBONSA-N 2 2 379.529 3.869 20 0 GHADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001136753138 899143547 /nfs/dbraw/zinc/14/35/47/899143547.db2.gz KILJLRAUSQQDMG-HKUYNNGSSA-N 2 2 395.950 3.682 20 0 GHADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001136753138 899143555 /nfs/dbraw/zinc/14/35/55/899143555.db2.gz KILJLRAUSQQDMG-HKUYNNGSSA-N 2 2 395.950 3.682 20 0 GHADLP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001136753138 899143561 /nfs/dbraw/zinc/14/35/61/899143561.db2.gz KILJLRAUSQQDMG-HKUYNNGSSA-N 2 2 395.950 3.682 20 0 GHADLP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001136753138 899143569 /nfs/dbraw/zinc/14/35/69/899143569.db2.gz KILJLRAUSQQDMG-HKUYNNGSSA-N 2 2 395.950 3.682 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000823887617 899306688 /nfs/dbraw/zinc/30/66/88/899306688.db2.gz LSWBRQBUTLSOPL-ZWKOTPCHSA-N 2 2 397.604 3.501 20 0 GHADLP O=C(CCCn1cc[nH+]c1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000824270111 899476085 /nfs/dbraw/zinc/47/60/85/899476085.db2.gz UGWXWOJTNODQLE-UHFFFAOYSA-N 2 2 380.536 3.568 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cccc(C(F)(F)F)n3)CC2)cc1 ZINC000824591495 899707927 /nfs/dbraw/zinc/70/79/27/899707927.db2.gz WCRWBEHGSGUJCN-UHFFFAOYSA-N 2 2 378.442 3.925 20 0 GHADLP C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333127949 899984174 /nfs/dbraw/zinc/98/41/74/899984174.db2.gz IEGCHIHKAVEGFT-GOSISDBHSA-N 2 2 384.568 3.794 20 0 GHADLP CC[NH+](CC)CCCC1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000825411864 900154073 /nfs/dbraw/zinc/15/40/73/900154073.db2.gz FPNDLYXWGTXPLG-UHFFFAOYSA-N 2 2 393.539 3.753 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)NC3CCCCCC3)C2)s1 ZINC000572563148 900221911 /nfs/dbraw/zinc/22/19/11/900221911.db2.gz QMQYCHJZTHCUNI-SFHVURJKSA-N 2 2 377.598 3.649 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)NC3CCCCCC3)C2)s1 ZINC000572563148 900221917 /nfs/dbraw/zinc/22/19/17/900221917.db2.gz QMQYCHJZTHCUNI-SFHVURJKSA-N 2 2 377.598 3.649 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)NC3CCCCCC3)C2)s1 ZINC000572563148 900221926 /nfs/dbraw/zinc/22/19/26/900221926.db2.gz QMQYCHJZTHCUNI-SFHVURJKSA-N 2 2 377.598 3.649 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)NC3CCCCCC3)C2)s1 ZINC000572563148 900221933 /nfs/dbraw/zinc/22/19/33/900221933.db2.gz QMQYCHJZTHCUNI-SFHVURJKSA-N 2 2 377.598 3.649 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)c1cccc(OC)c1 ZINC000573143345 900390304 /nfs/dbraw/zinc/39/03/04/900390304.db2.gz FWBZXHWMSRGHAN-LJQANCHMSA-N 2 2 381.480 3.548 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)Cc3ccccc3)C2)s1 ZINC000573312504 900462750 /nfs/dbraw/zinc/46/27/50/900462750.db2.gz HGVWMTCHOQHXDY-FPOVZHCZSA-N 2 2 399.604 3.857 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)N(C)Cc3ccccc3)C2)s1 ZINC000573312504 900462751 /nfs/dbraw/zinc/46/27/51/900462751.db2.gz HGVWMTCHOQHXDY-FPOVZHCZSA-N 2 2 399.604 3.857 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)N(C)Cc3ccccc3)C2)s1 ZINC000573312504 900462759 /nfs/dbraw/zinc/46/27/59/900462759.db2.gz HGVWMTCHOQHXDY-FPOVZHCZSA-N 2 2 399.604 3.857 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)N(C)Cc3ccccc3)C2)s1 ZINC000573312504 900462765 /nfs/dbraw/zinc/46/27/65/900462765.db2.gz HGVWMTCHOQHXDY-FPOVZHCZSA-N 2 2 399.604 3.857 20 0 GHADLP C[NH+]1CCC([N@H+](CC[C@@H]2CCOC2)Cc2ccccc2Br)CC1 ZINC000573769623 900630627 /nfs/dbraw/zinc/63/06/27/900630627.db2.gz SIFBNKFUDPWGSR-MRXNPFEDSA-N 2 2 381.358 3.772 20 0 GHADLP C[NH+]1CCC([N@@H+](CC[C@@H]2CCOC2)Cc2ccccc2Br)CC1 ZINC000573769623 900630632 /nfs/dbraw/zinc/63/06/32/900630632.db2.gz SIFBNKFUDPWGSR-MRXNPFEDSA-N 2 2 381.358 3.772 20 0 GHADLP CCOC(=O)C1CCN(c2ccccc2C[NH+]2CCC([N@H+](C)C3CC3)CC2)CC1 ZINC001144103008 901070213 /nfs/dbraw/zinc/07/02/13/901070213.db2.gz RVDDSJFKHZXXAC-UHFFFAOYSA-N 2 2 399.579 3.525 20 0 GHADLP CCOC(=O)C1CCN(c2ccccc2C[NH+]2CCC([N@@H+](C)C3CC3)CC2)CC1 ZINC001144103008 901070222 /nfs/dbraw/zinc/07/02/22/901070222.db2.gz RVDDSJFKHZXXAC-UHFFFAOYSA-N 2 2 399.579 3.525 20 0 GHADLP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)Nc3ccc(N4CCCC4)cc3)CC2)[nH+]c1C ZINC000886664784 901215156 /nfs/dbraw/zinc/21/51/56/901215156.db2.gz XOOGFGNIDKFEEO-GOSISDBHSA-N 2 2 395.551 3.833 20 0 GHADLP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3OC(F)F)CC2)[nH+]c1C ZINC000886669729 901217248 /nfs/dbraw/zinc/21/72/48/901217248.db2.gz CSUOCMXOVDUVJL-AWEZNQCLSA-N 2 2 392.450 3.835 20 0 GHADLP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc(OC(F)F)cc3)CC2)[nH+]c1C ZINC000886672064 901218325 /nfs/dbraw/zinc/21/83/25/901218325.db2.gz IDOGQTOVOOUWDQ-AWEZNQCLSA-N 2 2 392.450 3.835 20 0 GHADLP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Br)c(Br)c1)CC2 ZINC001144212095 901264640 /nfs/dbraw/zinc/26/46/40/901264640.db2.gz PDDRIOCGLADOJV-UHFFFAOYSA-N 2 2 388.147 3.739 20 0 GHADLP C[NH2+]Cc1ccccc1C[NH2+]Cc1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl ZINC000844904427 901486395 /nfs/dbraw/zinc/48/63/95/901486395.db2.gz LTGOVDGCMKFKJY-UHFFFAOYSA-N 2 2 397.954 3.909 20 0 GHADLP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000290209446 914575815 /nfs/dbraw/zinc/57/58/15/914575815.db2.gz HETRIMLVEZHQPZ-HSZRJFAPSA-N 2 2 376.504 3.686 20 0 GHADLP CN(C(=O)c1ccc2ncccc2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124867036 902129846 /nfs/dbraw/zinc/12/98/46/902129846.db2.gz GNRFACRBMFGREE-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccc2ncccc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124867036 902129851 /nfs/dbraw/zinc/12/98/51/902129851.db2.gz GNRFACRBMFGREE-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP C[C@@H]1CN(C(=O)C[NH+](C)Cc2ccccc2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001144669264 902595152 /nfs/dbraw/zinc/59/51/52/902595152.db2.gz NUCNLTDHDPLLJU-QHAWAJNXSA-N 2 2 379.548 3.628 20 0 GHADLP C[C@@H]1CN(C(=O)C[NH+](C)Cc2ccccc2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001144669264 902595163 /nfs/dbraw/zinc/59/51/63/902595163.db2.gz NUCNLTDHDPLLJU-QHAWAJNXSA-N 2 2 379.548 3.628 20 0 GHADLP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001144669264 902595167 /nfs/dbraw/zinc/59/51/67/902595167.db2.gz NUCNLTDHDPLLJU-QHAWAJNXSA-N 2 2 379.548 3.628 20 0 GHADLP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001144669264 902595176 /nfs/dbraw/zinc/59/51/76/902595176.db2.gz NUCNLTDHDPLLJU-QHAWAJNXSA-N 2 2 379.548 3.628 20 0 GHADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000263896394 902657541 /nfs/dbraw/zinc/65/75/41/902657541.db2.gz ZWDUKKVXRNOFCA-UHFFFAOYSA-N 2 2 376.504 3.655 20 0 GHADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600724357 902846300 /nfs/dbraw/zinc/84/63/00/902846300.db2.gz GVJOHQPQBDJBSU-WFASDCNBSA-N 2 2 384.398 3.569 20 0 GHADLP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600724357 902846309 /nfs/dbraw/zinc/84/63/09/902846309.db2.gz GVJOHQPQBDJBSU-WFASDCNBSA-N 2 2 384.398 3.569 20 0 GHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000264142196 902872421 /nfs/dbraw/zinc/87/24/21/902872421.db2.gz OMJDDTIGQQJLSB-GOSISDBHSA-N 2 2 376.504 3.791 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2c(F)cccc2Cl)([NH+]2CCCCC2)CC1 ZINC000577629803 902974409 /nfs/dbraw/zinc/97/44/09/902974409.db2.gz PDDZNZWIUXXSKM-UHFFFAOYSA-N 2 2 382.911 3.551 20 0 GHADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000601007479 903222174 /nfs/dbraw/zinc/22/21/74/903222174.db2.gz NINJHYLNDQWWDX-SFHVURJKSA-N 2 2 384.351 3.558 20 0 GHADLP C[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000601007479 903222183 /nfs/dbraw/zinc/22/21/83/903222183.db2.gz NINJHYLNDQWWDX-SFHVURJKSA-N 2 2 384.351 3.558 20 0 GHADLP C[C@@H]1CC[C@](C)(/C=C\C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC001145063105 903424861 /nfs/dbraw/zinc/42/48/61/903424861.db2.gz DZYDVHKIWZEUCY-HOOWDUDBSA-N 2 2 375.601 3.632 20 0 GHADLP C[C@@H]1CC[C@](C)(/C=C\C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC001145063105 903424868 /nfs/dbraw/zinc/42/48/68/903424868.db2.gz DZYDVHKIWZEUCY-HOOWDUDBSA-N 2 2 375.601 3.632 20 0 GHADLP COc1ccc(Cl)c2c1C[C@H]([NH+]1C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C1)CC2 ZINC001171310888 903810963 /nfs/dbraw/zinc/81/09/63/903810963.db2.gz LGAFQJCSBBAKCA-JENIJYKNSA-N 2 2 397.950 3.665 20 0 GHADLP Fc1cc(F)c2c(c1)C[C@H]([N@@H+]1C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C1)CC2 ZINC001171368325 904361475 /nfs/dbraw/zinc/36/14/75/904361475.db2.gz DFQCPOXBUYZFSY-SLYNCCJLSA-N 2 2 383.486 3.671 20 0 GHADLP Fc1cc(F)c2c(c1)C[C@H]([N@H+]1C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C1)CC2 ZINC001171368325 904361488 /nfs/dbraw/zinc/36/14/88/904361488.db2.gz DFQCPOXBUYZFSY-SLYNCCJLSA-N 2 2 383.486 3.671 20 0 GHADLP Fc1cc(F)c2c(c1)C[C@H]([NH+]1C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C1)CC2 ZINC001171368325 904361521 /nfs/dbraw/zinc/36/15/21/904361521.db2.gz DFQCPOXBUYZFSY-SLYNCCJLSA-N 2 2 383.486 3.671 20 0 GHADLP Fc1cc(F)c2c(c1)C[C@H]([NH+]1C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C1)CC2 ZINC001171368325 904361536 /nfs/dbraw/zinc/36/15/36/904361536.db2.gz DFQCPOXBUYZFSY-SLYNCCJLSA-N 2 2 383.486 3.671 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCc3[nH+]ccn3CC2)C[C@@H]1C(C)(C)C ZINC001171612584 904874575 /nfs/dbraw/zinc/87/45/75/904874575.db2.gz KRYTZOMIOJWKDE-DLBZAZTESA-N 2 2 376.545 3.555 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)C[C@@H]1C(C)(C)C ZINC001171612584 904874587 /nfs/dbraw/zinc/87/45/87/904874587.db2.gz KRYTZOMIOJWKDE-DLBZAZTESA-N 2 2 376.545 3.555 20 0 GHADLP COc1ccc(Cl)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC001137261302 904928013 /nfs/dbraw/zinc/92/80/13/904928013.db2.gz FWPVSFQDOFMRHF-UHFFFAOYSA-N 2 2 390.911 3.809 20 0 GHADLP COc1ccc(Cl)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC001137261302 904928024 /nfs/dbraw/zinc/92/80/24/904928024.db2.gz FWPVSFQDOFMRHF-UHFFFAOYSA-N 2 2 390.911 3.809 20 0 GHADLP CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000890243523 904953604 /nfs/dbraw/zinc/95/36/04/904953604.db2.gz NSVANCZMIGHPFB-NRFANRHFSA-N 2 2 395.551 3.674 20 0 GHADLP COc1cc(N2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)ccn1 ZINC001171987212 905248619 /nfs/dbraw/zinc/24/86/19/905248619.db2.gz RFMJVUYHZPIODX-QFIPXVFZSA-N 2 2 394.563 3.655 20 0 GHADLP COc1cc(N2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)ccn1 ZINC001171987212 905248632 /nfs/dbraw/zinc/24/86/32/905248632.db2.gz RFMJVUYHZPIODX-QFIPXVFZSA-N 2 2 394.563 3.655 20 0 GHADLP CCOC(=O)c1ccnc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172066470 905332393 /nfs/dbraw/zinc/33/23/93/905332393.db2.gz XJPBVCFYKFFYMC-MUSUJDOFSA-N 2 2 393.531 3.934 20 0 GHADLP CCOC(=O)c1ccnc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172066470 905332409 /nfs/dbraw/zinc/33/24/09/905332409.db2.gz XJPBVCFYKFFYMC-MUSUJDOFSA-N 2 2 393.531 3.934 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172122469 905384911 /nfs/dbraw/zinc/38/49/11/905384911.db2.gz BOBDULVGMSFQJB-IYWMVGAKSA-N 2 2 377.573 3.866 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172122469 905384929 /nfs/dbraw/zinc/38/49/29/905384929.db2.gz BOBDULVGMSFQJB-IYWMVGAKSA-N 2 2 377.573 3.866 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+](C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172122469 905384946 /nfs/dbraw/zinc/38/49/46/905384946.db2.gz BOBDULVGMSFQJB-IYWMVGAKSA-N 2 2 377.573 3.866 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172122469 905384960 /nfs/dbraw/zinc/38/49/60/905384960.db2.gz BOBDULVGMSFQJB-IYWMVGAKSA-N 2 2 377.573 3.866 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001172210888 905410240 /nfs/dbraw/zinc/41/02/40/905410240.db2.gz LXOHIXSAIDFZFJ-SCCNAQOGSA-N 2 2 378.944 3.766 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001172210888 905410251 /nfs/dbraw/zinc/41/02/51/905410251.db2.gz LXOHIXSAIDFZFJ-SCCNAQOGSA-N 2 2 378.944 3.766 20 0 GHADLP C[N@H+](Cc1ccccc1N1CCCCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000779224626 905484658 /nfs/dbraw/zinc/48/46/58/905484658.db2.gz GKPHUWAMZNIRFC-VWLOTQADSA-N 2 2 393.575 3.746 20 0 GHADLP C[N@@H+](Cc1ccccc1N1CCCCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000779224626 905484668 /nfs/dbraw/zinc/48/46/68/905484668.db2.gz GKPHUWAMZNIRFC-VWLOTQADSA-N 2 2 393.575 3.746 20 0 GHADLP C[NH+](Cc1ccccc1N1CCCCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000779224626 905484681 /nfs/dbraw/zinc/48/46/81/905484681.db2.gz GKPHUWAMZNIRFC-VWLOTQADSA-N 2 2 393.575 3.746 20 0 GHADLP C[NH+](Cc1ccccc1N1CCCCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000779224626 905484688 /nfs/dbraw/zinc/48/46/88/905484688.db2.gz GKPHUWAMZNIRFC-VWLOTQADSA-N 2 2 393.575 3.746 20 0 GHADLP CC(C)OCC[C@@H](C)[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001172451785 905570033 /nfs/dbraw/zinc/57/00/33/905570033.db2.gz NFSKAWDMIYMDDC-QUCCMNQESA-N 2 2 381.511 3.818 20 0 GHADLP CC(C)OCC[C@@H](C)[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001172451785 905570060 /nfs/dbraw/zinc/57/00/60/905570060.db2.gz NFSKAWDMIYMDDC-QUCCMNQESA-N 2 2 381.511 3.818 20 0 GHADLP CC(C)OCC[C@@H](C)[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001172451785 905570073 /nfs/dbraw/zinc/57/00/73/905570073.db2.gz NFSKAWDMIYMDDC-QUCCMNQESA-N 2 2 381.511 3.818 20 0 GHADLP CC(C)OCC[C@@H](C)[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001172451785 905570086 /nfs/dbraw/zinc/57/00/86/905570086.db2.gz NFSKAWDMIYMDDC-QUCCMNQESA-N 2 2 381.511 3.818 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(=O)oc2cc(O)ccc12 ZINC000801586034 921168691 /nfs/dbraw/zinc/16/86/91/921168691.db2.gz YLSITSJKWFCVTA-JOCHJYFZSA-N 2 2 392.499 3.889 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(=O)oc2cc(O)ccc12 ZINC000801586034 921168695 /nfs/dbraw/zinc/16/86/95/921168695.db2.gz YLSITSJKWFCVTA-JOCHJYFZSA-N 2 2 392.499 3.889 20 0 GHADLP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001172806019 905878975 /nfs/dbraw/zinc/87/89/75/905878975.db2.gz FKCKQWVAZQRQKQ-XLIONFOSSA-N 2 2 376.516 3.844 20 0 GHADLP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001172806019 905878984 /nfs/dbraw/zinc/87/89/84/905878984.db2.gz FKCKQWVAZQRQKQ-XLIONFOSSA-N 2 2 376.516 3.844 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+]([C@H]1CCc3ncsc3C1)C2 ZINC001173137077 906218351 /nfs/dbraw/zinc/21/83/51/906218351.db2.gz IYADAKLSVIOXGX-SFHVURJKSA-N 2 2 394.544 3.679 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+]([C@H]1CCc3ncsc3C1)C2 ZINC001173137077 906218366 /nfs/dbraw/zinc/21/83/66/906218366.db2.gz IYADAKLSVIOXGX-SFHVURJKSA-N 2 2 394.544 3.679 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+]([C@H]1CCc3ncsc3C1)C2 ZINC001173137077 906218380 /nfs/dbraw/zinc/21/83/80/906218380.db2.gz IYADAKLSVIOXGX-SFHVURJKSA-N 2 2 394.544 3.679 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+]([C@H]1CCc3ncsc3C1)C2 ZINC001173137077 906218396 /nfs/dbraw/zinc/21/83/96/906218396.db2.gz IYADAKLSVIOXGX-SFHVURJKSA-N 2 2 394.544 3.679 20 0 GHADLP COc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](Cc3ccc(F)cc3C)CC1)CO2 ZINC001173149435 906236515 /nfs/dbraw/zinc/23/65/15/906236515.db2.gz DCOVKYMCOMWUSW-HXUWFJFHSA-N 2 2 384.495 3.700 20 0 GHADLP COc1cccc2c1C[C@H]([N@@H+]1CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)CO2 ZINC001173167273 906289779 /nfs/dbraw/zinc/28/97/79/906289779.db2.gz FGZLXYKWFYVPGC-SQJMNOBHSA-N 2 2 392.543 3.987 20 0 GHADLP COc1cccc2c1C[C@H]([N@H+]1CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)CO2 ZINC001173167273 906289794 /nfs/dbraw/zinc/28/97/94/906289794.db2.gz FGZLXYKWFYVPGC-SQJMNOBHSA-N 2 2 392.543 3.987 20 0 GHADLP COc1cccc2c1C[C@H]([NH+]1CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C1)CO2 ZINC001173167273 906289802 /nfs/dbraw/zinc/28/98/02/906289802.db2.gz FGZLXYKWFYVPGC-SQJMNOBHSA-N 2 2 392.543 3.987 20 0 GHADLP COc1cccc2c1C[C@H]([NH+]1CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C1)CO2 ZINC001173167273 906289818 /nfs/dbraw/zinc/28/98/18/906289818.db2.gz FGZLXYKWFYVPGC-SQJMNOBHSA-N 2 2 392.543 3.987 20 0 GHADLP CCCC[C@H](CC(C)C)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001173259146 906342874 /nfs/dbraw/zinc/34/28/74/906342874.db2.gz GVMSLNIEFBJHEC-XMMPIXPASA-N 3 2 392.676 3.768 20 0 GHADLP C[C@@H]1CC([NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173674465 906610869 /nfs/dbraw/zinc/61/08/69/906610869.db2.gz AMOCWHHEAOTOIU-IAGOWNOFSA-N 2 2 388.556 3.817 20 0 GHADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173674803 906612475 /nfs/dbraw/zinc/61/24/75/906612475.db2.gz NUEXQTHBKBQRHS-UHFFFAOYSA-N 2 2 387.465 3.749 20 0 GHADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173674803 906612483 /nfs/dbraw/zinc/61/24/83/906612483.db2.gz NUEXQTHBKBQRHS-UHFFFAOYSA-N 2 2 387.465 3.749 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000181593800 907034124 /nfs/dbraw/zinc/03/41/24/907034124.db2.gz KRKNYZIOXYVNAO-ZWKOTPCHSA-N 2 2 394.519 3.914 20 0 GHADLP Cc1nc(Nc2cccc(C[NH+]3CCCC3)c2)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001176194417 907969052 /nfs/dbraw/zinc/96/90/52/907969052.db2.gz FOLBUFLZDBAWGH-CALCHBBNSA-N 2 2 381.524 3.738 20 0 GHADLP Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)cc(Nc2cccc(C[NH+]3CCCC3)c2)[nH+]1 ZINC001176194417 907969066 /nfs/dbraw/zinc/96/90/66/907969066.db2.gz FOLBUFLZDBAWGH-CALCHBBNSA-N 2 2 381.524 3.738 20 0 GHADLP CC(C)Oc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000187238750 908059598 /nfs/dbraw/zinc/05/95/98/908059598.db2.gz JTDXISQEDUOUOI-UHFFFAOYSA-N 2 2 396.963 3.617 20 0 GHADLP CC(C)Oc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000187238750 908059603 /nfs/dbraw/zinc/05/96/03/908059603.db2.gz JTDXISQEDUOUOI-UHFFFAOYSA-N 2 2 396.963 3.617 20 0 GHADLP C[NH+]1CCN(c2ncc(Nc3cc[nH+]c4cc(C(F)(F)F)ccc34)cn2)CC1 ZINC001176627011 908188397 /nfs/dbraw/zinc/18/83/97/908188397.db2.gz DCYNDOHDNNIXBW-UHFFFAOYSA-N 2 2 388.397 3.539 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc3ccccc3n2C(F)F)[C@H](C)C1 ZINC000189995383 908398487 /nfs/dbraw/zinc/39/84/87/908398487.db2.gz FTZJYTDHCPWKCQ-CVEARBPZSA-N 2 2 380.483 3.658 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc3ccccc3n2C(F)F)[C@H](C)C1 ZINC000189995383 908398499 /nfs/dbraw/zinc/39/84/99/908398499.db2.gz FTZJYTDHCPWKCQ-CVEARBPZSA-N 2 2 380.483 3.658 20 0 GHADLP Cc1c([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)nnn1-c1ccc(C)cc1 ZINC000366247488 921417282 /nfs/dbraw/zinc/41/72/82/921417282.db2.gz PQXMGSHEFGMPEE-KRWDZBQOSA-N 2 2 376.508 3.599 20 0 GHADLP Cc1cc(Cl)cc(C)c1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001177506898 908607202 /nfs/dbraw/zinc/60/72/02/908607202.db2.gz WFPBMQUXYIGKPW-UHFFFAOYSA-N 2 2 388.939 3.958 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCS2 ZINC000191497817 908632134 /nfs/dbraw/zinc/63/21/34/908632134.db2.gz GLPDSQFQPXNLIJ-OAQYLSRUSA-N 2 2 384.545 3.854 20 0 GHADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000191838242 908683247 /nfs/dbraw/zinc/68/32/47/908683247.db2.gz CYSIVXUYUQDOFF-JPYJTQIMSA-N 2 2 381.520 3.587 20 0 GHADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000191838242 908683252 /nfs/dbraw/zinc/68/32/52/908683252.db2.gz CYSIVXUYUQDOFF-JPYJTQIMSA-N 2 2 381.520 3.587 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC001178232006 908969391 /nfs/dbraw/zinc/96/93/91/908969391.db2.gz MFZVOTKMPCSKQF-OAQYLSRUSA-N 2 2 390.535 3.637 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000635425899 909244579 /nfs/dbraw/zinc/24/45/79/909244579.db2.gz RMYXUYOVIMGHMW-JFIYKMOQSA-N 2 2 394.441 3.731 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000635425899 909244597 /nfs/dbraw/zinc/24/45/97/909244597.db2.gz RMYXUYOVIMGHMW-JFIYKMOQSA-N 2 2 394.441 3.731 20 0 GHADLP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000635545035 909283625 /nfs/dbraw/zinc/28/36/25/909283625.db2.gz FLNGMWVWIQDBSF-QGZVFWFLSA-N 2 2 382.430 3.533 20 0 GHADLP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000635545035 909283644 /nfs/dbraw/zinc/28/36/44/909283644.db2.gz FLNGMWVWIQDBSF-QGZVFWFLSA-N 2 2 382.430 3.533 20 0 GHADLP CC(C)C[C@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)n1cc[nH+]c1 ZINC000635760261 909341950 /nfs/dbraw/zinc/34/19/50/909341950.db2.gz BXSFRKYOOUOKGK-OAQYLSRUSA-N 2 2 383.540 3.630 20 0 GHADLP Clc1cc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)ccc1OCCn1cc[nH+]c1 ZINC001179252392 909440741 /nfs/dbraw/zinc/44/07/41/909440741.db2.gz HNRGPLSBEYMWMC-FQEVSTJZSA-N 2 2 397.906 3.847 20 0 GHADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267435459 909497502 /nfs/dbraw/zinc/49/75/02/909497502.db2.gz IAHLETWHCKIZRP-UHFFFAOYSA-N 2 2 381.524 3.850 20 0 GHADLP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000268826377 910034920 /nfs/dbraw/zinc/03/49/20/910034920.db2.gz ZEYCBFWEHUTMST-PGRDOPGGSA-N 2 2 375.520 3.576 20 0 GHADLP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000268826377 910034933 /nfs/dbraw/zinc/03/49/33/910034933.db2.gz ZEYCBFWEHUTMST-PGRDOPGGSA-N 2 2 375.520 3.576 20 0 GHADLP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269098505 910139061 /nfs/dbraw/zinc/13/90/61/910139061.db2.gz FIKSCQHAFNWMRA-SFHVURJKSA-N 2 2 397.523 3.686 20 0 GHADLP Nc1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000638387748 910143266 /nfs/dbraw/zinc/14/32/66/910143266.db2.gz ZUQRBNVMRKTUPZ-UHFFFAOYSA-N 2 2 380.319 3.698 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cnc4ccc(Cl)cn34)[nH+]c2)CC1 ZINC000269142699 910159335 /nfs/dbraw/zinc/15/93/35/910159335.db2.gz MVWMJDYKRJUXRW-UHFFFAOYSA-N 2 2 384.915 3.525 20 0 GHADLP OCCCCOc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000639158548 910336194 /nfs/dbraw/zinc/33/61/94/910336194.db2.gz WDZINUIFIVSRPG-HXUWFJFHSA-N 2 2 383.536 3.750 20 0 GHADLP OCCCCOc1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000639158548 910336205 /nfs/dbraw/zinc/33/62/05/910336205.db2.gz WDZINUIFIVSRPG-HXUWFJFHSA-N 2 2 383.536 3.750 20 0 GHADLP FC(F)(F)[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)n1cccn1 ZINC000639345117 910393439 /nfs/dbraw/zinc/39/34/39/910393439.db2.gz DQYCGENTQBVZGP-WDSOQIARSA-N 2 2 378.442 3.944 20 0 GHADLP FC(F)(F)[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)n1cccn1 ZINC000639345117 910393454 /nfs/dbraw/zinc/39/34/54/910393454.db2.gz DQYCGENTQBVZGP-WDSOQIARSA-N 2 2 378.442 3.944 20 0 GHADLP CC[NH+](CC)CCSCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270507549 910594095 /nfs/dbraw/zinc/59/40/95/910594095.db2.gz RDYZADQMBLSCRJ-UHFFFAOYSA-N 2 2 384.549 3.615 20 0 GHADLP Cc1csc(CC2(O)CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)n1 ZINC000639809682 910684299 /nfs/dbraw/zinc/68/42/99/910684299.db2.gz MAMBKIMOSNGXRE-UHFFFAOYSA-N 2 2 382.533 3.515 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(Br)ccc3F)CC2)CC1 ZINC000270853954 910717358 /nfs/dbraw/zinc/71/73/58/910717358.db2.gz HDQCVBDMLLAZFF-UHFFFAOYSA-N 2 2 398.364 3.579 20 0 GHADLP COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1OCc1cccnc1 ZINC000271190385 910809857 /nfs/dbraw/zinc/80/98/57/910809857.db2.gz LUXIUHZNGNMWOS-UHFFFAOYSA-N 2 2 378.476 3.772 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(F)cc3C(F)(F)F)CC2)CC1 ZINC000271237104 910827952 /nfs/dbraw/zinc/82/79/52/910827952.db2.gz WZHKUIOZBFQLND-UHFFFAOYSA-N 2 2 387.465 3.835 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1nc2ccccc2n1C ZINC000091348497 910993103 /nfs/dbraw/zinc/99/31/03/910993103.db2.gz MWXHRMNGTCSEJM-KRWDZBQOSA-N 2 2 377.536 3.959 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N(CC[NH3+])c1ccc(F)cc1)c1ccccc1Cl ZINC001182220906 911314012 /nfs/dbraw/zinc/31/40/12/911314012.db2.gz GJIFAPHJHBWOJQ-LJQANCHMSA-N 2 2 377.891 3.854 20 0 GHADLP c1cn(-c2ccccc2-c2noc(-c3csc(C4CC[NH2+]CC4)n3)n2)c[nH+]1 ZINC001212932672 911718653 /nfs/dbraw/zinc/71/86/53/911718653.db2.gz HGFYAYCDUSSKLA-UHFFFAOYSA-N 2 2 378.461 3.513 20 0 GHADLP Cn1cc([C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c2cccc(F)c2)cn1 ZINC000647344158 915162764 /nfs/dbraw/zinc/16/27/64/915162764.db2.gz KNXIIPUMDGKQMG-OIBXWCBGSA-N 2 2 378.495 3.584 20 0 GHADLP Cn1cc([C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c2cccc(F)c2)cn1 ZINC000647344158 915162773 /nfs/dbraw/zinc/16/27/73/915162773.db2.gz KNXIIPUMDGKQMG-OIBXWCBGSA-N 2 2 378.495 3.584 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000647899384 915430501 /nfs/dbraw/zinc/43/05/01/915430501.db2.gz IZTXGKPZCMSIOQ-RBZQAINGSA-N 2 2 391.559 3.551 20 0 GHADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000647899384 915430511 /nfs/dbraw/zinc/43/05/11/915430511.db2.gz IZTXGKPZCMSIOQ-RBZQAINGSA-N 2 2 391.559 3.551 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccc2ccccc2c1 ZINC000647901891 915432753 /nfs/dbraw/zinc/43/27/53/915432753.db2.gz XCBCFQRSLPWELL-ZRGHVXQMSA-N 2 2 379.548 3.870 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccc2ccccc2c1 ZINC000647901891 915432758 /nfs/dbraw/zinc/43/27/58/915432758.db2.gz XCBCFQRSLPWELL-ZRGHVXQMSA-N 2 2 379.548 3.870 20 0 GHADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000647940359 915444284 /nfs/dbraw/zinc/44/42/84/915444284.db2.gz VHRLNUMZVCTYGY-UEKVPHQBSA-N 2 2 377.838 3.745 20 0 GHADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000647940359 915444290 /nfs/dbraw/zinc/44/42/90/915444290.db2.gz VHRLNUMZVCTYGY-UEKVPHQBSA-N 2 2 377.838 3.745 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000648718322 915832127 /nfs/dbraw/zinc/83/21/27/915832127.db2.gz BIDBKKYKAMSDMD-INIZCTEOSA-N 2 2 388.943 3.831 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000648746261 915854755 /nfs/dbraw/zinc/85/47/55/915854755.db2.gz RCFJWJRFBAWBLS-LSDHHAIUSA-N 2 2 375.542 3.724 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000648746261 915854771 /nfs/dbraw/zinc/85/47/71/915854771.db2.gz RCFJWJRFBAWBLS-LSDHHAIUSA-N 2 2 375.542 3.724 20 0 GHADLP CC[C@H](c1ccccc1)[NH+]1CCN(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001191246484 917877313 /nfs/dbraw/zinc/87/73/13/917877313.db2.gz XITSNQFFPLACHU-RUZDIDTESA-N 2 2 393.575 3.788 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000653591457 918336747 /nfs/dbraw/zinc/33/67/47/918336747.db2.gz HXCFMULGRKPXFD-AWEZNQCLSA-N 2 2 387.281 3.827 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000653591457 918336757 /nfs/dbraw/zinc/33/67/57/918336757.db2.gz HXCFMULGRKPXFD-AWEZNQCLSA-N 2 2 387.281 3.827 20 0 GHADLP CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001192148781 918442286 /nfs/dbraw/zinc/44/22/86/918442286.db2.gz IQNYUGXJARXDQE-UHFFFAOYSA-N 2 2 399.510 3.507 20 0 GHADLP CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001192148781 918442294 /nfs/dbraw/zinc/44/22/94/918442294.db2.gz IQNYUGXJARXDQE-UHFFFAOYSA-N 2 2 399.510 3.507 20 0 GHADLP CC[C@@H](C)[N@H+](CCc1c[nH+]cn1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000297597038 919476336 /nfs/dbraw/zinc/47/63/36/919476336.db2.gz FPGLSCWMWSVPDR-CQSZACIVSA-N 2 2 382.430 3.721 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)cn1 ZINC000902318165 922083456 /nfs/dbraw/zinc/08/34/56/922083456.db2.gz HIZHNOUINUJKNP-FQEVSTJZSA-N 3 2 385.462 3.814 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000367751071 922295850 /nfs/dbraw/zinc/29/58/50/922295850.db2.gz CPGBTHYEZZUEBT-INIZCTEOSA-N 2 2 397.523 3.565 20 0 GHADLP C[C@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902757332 922471716 /nfs/dbraw/zinc/47/17/16/922471716.db2.gz QZZZVSKGYYNAQY-SFHVURJKSA-N 2 2 383.517 3.528 20 0 GHADLP Cc1c2ccccc2oc1[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369019622 923059411 /nfs/dbraw/zinc/05/94/11/923059411.db2.gz YYAUNUMXOHCEGE-IEBWSBKVSA-N 2 2 398.551 3.612 20 0 GHADLP Cc1c2ccccc2oc1[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369019622 923059433 /nfs/dbraw/zinc/05/94/33/923059433.db2.gz YYAUNUMXOHCEGE-IEBWSBKVSA-N 2 2 398.551 3.612 20 0 GHADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2csc(CNC(=O)c3ccccc3)n2)CCC1 ZINC000903812602 923308918 /nfs/dbraw/zinc/30/89/18/923308918.db2.gz UPUVWIGALCIJGH-IBGZPJMESA-N 2 2 398.576 3.557 20 0 GHADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2csc(CNC(=O)c3ccccc3)n2)CCC1 ZINC000903812602 923308935 /nfs/dbraw/zinc/30/89/35/923308935.db2.gz UPUVWIGALCIJGH-IBGZPJMESA-N 2 2 398.576 3.557 20 0 GHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000676756247 924062985 /nfs/dbraw/zinc/06/29/85/924062985.db2.gz KZBGMCASQHNLJR-URVUXULASA-N 2 2 395.551 3.509 20 0 GHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000676756247 924063009 /nfs/dbraw/zinc/06/30/09/924063009.db2.gz KZBGMCASQHNLJR-URVUXULASA-N 2 2 395.551 3.509 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccn(C2CCCC2)n1 ZINC000370557818 924167396 /nfs/dbraw/zinc/16/73/96/924167396.db2.gz PLTMWZHSBDNRPV-UHFFFAOYSA-N 3 2 387.616 3.626 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccn(C2CCCC2)n1 ZINC000370557818 924167404 /nfs/dbraw/zinc/16/74/04/924167404.db2.gz PLTMWZHSBDNRPV-UHFFFAOYSA-N 3 2 387.616 3.626 20 0 GHADLP O=C(CCCn1cc[nH+]c1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000676957126 924176391 /nfs/dbraw/zinc/17/63/91/924176391.db2.gz HJRNKIJFSMAFTG-UHFFFAOYSA-N 2 2 386.499 3.578 20 0 GHADLP Cc1cccn2cc(COc3ccc(C[NH2+][C@H]4CCc5[nH+]c[nH]c5C4)cc3)nc12 ZINC000370730927 924278245 /nfs/dbraw/zinc/27/82/45/924278245.db2.gz RMIJGLUKDXXGPR-SFHVURJKSA-N 2 2 387.487 3.592 20 0 GHADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(OCc4cccc(F)c4)cc3)CC2)C1 ZINC000678258794 924693043 /nfs/dbraw/zinc/69/30/43/924693043.db2.gz NKKJKKQKCCIFOC-HSZRJFAPSA-N 2 2 397.538 3.617 20 0 GHADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(OCc4cccc(F)c4)cc3)CC2)C1 ZINC000678258794 924693045 /nfs/dbraw/zinc/69/30/45/924693045.db2.gz NKKJKKQKCCIFOC-HSZRJFAPSA-N 2 2 397.538 3.617 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nc3c(s2)CCC3)CC1 ZINC000678496301 924798801 /nfs/dbraw/zinc/79/88/01/924798801.db2.gz SFPRZSOUZQNPAA-HNNXBMFYSA-N 2 2 388.556 3.764 20 0 GHADLP Brc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)[C@@H]2CCCO2)cc1 ZINC000679333310 925098514 /nfs/dbraw/zinc/09/85/14/925098514.db2.gz IZAWOCQIAHVJGH-ROUUACIJSA-N 2 2 378.314 3.936 20 0 GHADLP O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(F)(F)F ZINC000680120736 925371160 /nfs/dbraw/zinc/37/11/60/925371160.db2.gz IXHDBTUXZBSPKR-IRXDYDNUSA-N 2 2 381.423 3.558 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373107407 925864698 /nfs/dbraw/zinc/86/46/98/925864698.db2.gz SGKYRXCRGVFPDC-GOSISDBHSA-N 2 2 399.539 3.552 20 0 GHADLP Cc1ccc(N2CCC(C(=O)N[C@@H](C)[C@@H](c3ccccc3C)[NH+](C)C)CC2)[nH+]c1 ZINC000682396077 926098622 /nfs/dbraw/zinc/09/86/22/926098622.db2.gz MJNFKVVCIGHQLW-CVDCTZTESA-N 2 2 394.563 3.722 20 0 GHADLP COc1cc(C)nc(C[N@H+](C)[C@@H]2CCCN(Cc3cc(OC)cc(C)[nH+]3)CC2)c1 ZINC000411399228 926365628 /nfs/dbraw/zinc/36/56/28/926365628.db2.gz FKSYGNUWPSFHFM-OAQYLSRUSA-N 2 2 398.551 3.597 20 0 GHADLP COc1cc(C)nc(C[N@@H+](C)[C@@H]2CCCN(Cc3cc(OC)cc(C)[nH+]3)CC2)c1 ZINC000411399228 926365638 /nfs/dbraw/zinc/36/56/38/926365638.db2.gz FKSYGNUWPSFHFM-OAQYLSRUSA-N 2 2 398.551 3.597 20 0 GHADLP C[NH+]1CCCC12CC[NH+](CCCCCC[NH+]1CCC3(CCC[N@H+]3C)CC1)CC2 ZINC000374597875 927323742 /nfs/dbraw/zinc/32/37/42/927323742.db2.gz WWNWJOPFAJMLDW-UHFFFAOYSA-N 4 2 390.660 3.667 20 0 GHADLP C[NH+]1CCCC12CC[NH+](CCCCCC[NH+]1CCC3(CCC[N@@H+]3C)CC1)CC2 ZINC000374597875 927323751 /nfs/dbraw/zinc/32/37/51/927323751.db2.gz WWNWJOPFAJMLDW-UHFFFAOYSA-N 4 2 390.660 3.667 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000374723215 927449301 /nfs/dbraw/zinc/44/93/01/927449301.db2.gz NYKWTKUNMSUNCV-SFHVURJKSA-N 2 2 390.535 3.594 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(N(C)C)[nH+]1 ZINC000750402258 927606098 /nfs/dbraw/zinc/60/60/98/927606098.db2.gz ICGHLBPSKOWAMN-UYAOXDASSA-N 2 2 395.551 3.973 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(N(C)C)[nH+]1 ZINC000750402258 927606102 /nfs/dbraw/zinc/60/61/02/927606102.db2.gz ICGHLBPSKOWAMN-UYAOXDASSA-N 2 2 395.551 3.973 20 0 GHADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(Cl)nc3)CC2)c1 ZINC000751501298 928224422 /nfs/dbraw/zinc/22/44/22/928224422.db2.gz GDMUXVRXIKRIIJ-UHFFFAOYSA-N 2 2 379.335 3.690 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000467129051 928733568 /nfs/dbraw/zinc/73/35/68/928733568.db2.gz AYCLRESSNKOWTO-NRFANRHFSA-N 2 2 390.487 3.978 20 0 GHADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3nc(C(F)(F)F)cs3)cn2)CC1 ZINC000467747974 929367406 /nfs/dbraw/zinc/36/74/06/929367406.db2.gz SWVQSWBEVHXWKT-CYBMUJFWSA-N 2 2 399.486 3.550 20 0 GHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000753545388 929405438 /nfs/dbraw/zinc/40/54/38/929405438.db2.gz SYXGFKMHYBCWMF-UHFFFAOYSA-N 2 2 378.542 3.917 20 0 GHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000753545388 929405442 /nfs/dbraw/zinc/40/54/42/929405442.db2.gz SYXGFKMHYBCWMF-UHFFFAOYSA-N 2 2 378.542 3.917 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccc(F)cc3)no2)[C@@H](C)C1 ZINC000469766565 930146985 /nfs/dbraw/zinc/14/69/85/930146985.db2.gz CLMBCVAQAJNLJE-JXFKEZNVSA-N 2 2 375.488 3.707 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccc(F)cc3)no2)[C@@H](C)C1 ZINC000469766565 930146986 /nfs/dbraw/zinc/14/69/86/930146986.db2.gz CLMBCVAQAJNLJE-JXFKEZNVSA-N 2 2 375.488 3.707 20 0 GHADLP CCOc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc(Br)c1OC(F)F ZINC000469852574 930207241 /nfs/dbraw/zinc/20/72/41/930207241.db2.gz HGSBMHFOHXWQIB-PWSUYJOCSA-N 2 2 393.272 3.618 20 0 GHADLP CCOc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc(Br)c1OC(F)F ZINC000469852574 930207247 /nfs/dbraw/zinc/20/72/47/930207247.db2.gz HGSBMHFOHXWQIB-PWSUYJOCSA-N 2 2 393.272 3.618 20 0 GHADLP Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1OC(F)F ZINC000469882179 930232194 /nfs/dbraw/zinc/23/21/94/930232194.db2.gz SDMSJCMACPQKKA-BPNCWPANSA-N 2 2 375.257 3.528 20 0 GHADLP Cc1cc(Br)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1OC(F)F ZINC000469882179 930232200 /nfs/dbraw/zinc/23/22/00/930232200.db2.gz SDMSJCMACPQKKA-BPNCWPANSA-N 2 2 375.257 3.528 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000557482946 931462755 /nfs/dbraw/zinc/46/27/55/931462755.db2.gz CXRYLNDOJLAAPS-SFHVURJKSA-N 2 2 378.520 3.847 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000557482946 931462760 /nfs/dbraw/zinc/46/27/60/931462760.db2.gz CXRYLNDOJLAAPS-SFHVURJKSA-N 2 2 378.520 3.847 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)CC1 ZINC000557633988 931586611 /nfs/dbraw/zinc/58/66/11/931586611.db2.gz QFSMIMBDHLVOQA-UHFFFAOYSA-N 2 2 398.551 3.503 20 0 GHADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1cccnc1)c1ccc(Cl)cc1Cl ZINC000924992600 931605257 /nfs/dbraw/zinc/60/52/57/931605257.db2.gz MNNXEMXRJUIHCS-FOIQADDNSA-N 2 2 393.362 3.703 20 0 GHADLP Brc1ccc([C@@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)s1 ZINC000925789614 931904365 /nfs/dbraw/zinc/90/43/65/931904365.db2.gz AORUOJIWJDZWMS-BBRMVZONSA-N 2 2 385.371 3.710 20 0 GHADLP Brc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)c2cccnc2)cc1 ZINC000925814980 931912354 /nfs/dbraw/zinc/91/23/54/931912354.db2.gz RQYICEBWAJPZJP-MJGOQNOKSA-N 2 2 383.293 3.735 20 0 GHADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)c1cccc(OC)n1 ZINC000926527288 932217112 /nfs/dbraw/zinc/21/71/12/932217112.db2.gz JCWXYTOCZMNFCN-OAQYLSRUSA-N 2 2 396.535 3.754 20 0 GHADLP CCS(=O)(=O)c1ccccc1CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000926911449 932347022 /nfs/dbraw/zinc/34/70/22/932347022.db2.gz NARYCFAALSVJDV-QGZVFWFLSA-N 2 2 383.517 3.559 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc2ccccc2c1 ZINC000559313079 932592174 /nfs/dbraw/zinc/59/21/74/932592174.db2.gz ZZBCATUNWOPASH-JXQFQVJHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc2ccccc2c1 ZINC000559313079 932592185 /nfs/dbraw/zinc/59/21/85/932592185.db2.gz ZZBCATUNWOPASH-JXQFQVJHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc2ccccc2c1 ZINC000559313079 932592194 /nfs/dbraw/zinc/59/21/94/932592194.db2.gz ZZBCATUNWOPASH-JXQFQVJHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc2ccccc2c1 ZINC000559313079 932592207 /nfs/dbraw/zinc/59/22/07/932592207.db2.gz ZZBCATUNWOPASH-JXQFQVJHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1=O ZINC000559323779 932600787 /nfs/dbraw/zinc/60/07/87/932600787.db2.gz OHXOJSKLHFCMCR-YWZLYKJASA-N 2 2 398.507 3.915 20 0 GHADLP CC1([NH+]2CCCC2)CCC(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1 ZINC000928013066 932764790 /nfs/dbraw/zinc/76/47/90/932764790.db2.gz RUMHFISRBKDRFC-UHFFFAOYSA-N 2 2 395.551 3.522 20 0 GHADLP Cc1ccc(NC(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(Br)c1 ZINC000799177577 932899830 /nfs/dbraw/zinc/89/98/30/932899830.db2.gz WAARNNAZJSPYKM-UHFFFAOYSA-N 2 2 394.357 3.504 20 0 GHADLP Cc1ccc(NC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(Br)c1 ZINC000799177577 932899837 /nfs/dbraw/zinc/89/98/37/932899837.db2.gz WAARNNAZJSPYKM-UHFFFAOYSA-N 2 2 394.357 3.504 20 0 GHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000560243661 933151819 /nfs/dbraw/zinc/15/18/19/933151819.db2.gz DJWSPGVQFHAJRA-ZHODDXKCSA-N 2 2 380.536 3.835 20 0 GHADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000560346879 933213687 /nfs/dbraw/zinc/21/36/87/933213687.db2.gz SEHNXPYWYPPBDN-ZIBCJSCZSA-N 2 2 378.520 3.502 20 0 GHADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000560346879 933213702 /nfs/dbraw/zinc/21/37/02/933213702.db2.gz SEHNXPYWYPPBDN-ZIBCJSCZSA-N 2 2 378.520 3.502 20 0 GHADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)c1ccccc1-n1ccnn1 ZINC000560524607 933311331 /nfs/dbraw/zinc/31/13/31/933311331.db2.gz IGCRVRHDQJANJI-GOSISDBHSA-N 2 2 385.581 3.670 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(-c2ccc(F)cc2)n1C ZINC001116066762 933315631 /nfs/dbraw/zinc/31/56/31/933315631.db2.gz SRWVTBPFCGUFRY-UHFFFAOYSA-N 2 2 375.407 3.973 20 0 GHADLP C[NH+]1CCN(Cc2cccc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)c2)CC1 ZINC001116505975 933598148 /nfs/dbraw/zinc/59/81/48/933598148.db2.gz XLKKOFFRXGNIRZ-VWLOTQADSA-N 2 2 386.543 3.708 20 0 GHADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001117997477 934075170 /nfs/dbraw/zinc/07/51/70/934075170.db2.gz LRDQNGZWSNWESB-KRWDZBQOSA-N 2 2 387.955 3.947 20 0 GHADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000930553786 934098910 /nfs/dbraw/zinc/09/89/10/934098910.db2.gz CJFBDJFPPDQUEM-SFHVURJKSA-N 2 2 379.508 3.548 20 0 GHADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000930553786 934098918 /nfs/dbraw/zinc/09/89/18/934098918.db2.gz CJFBDJFPPDQUEM-SFHVURJKSA-N 2 2 379.508 3.548 20 0 GHADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1OC ZINC000561541307 934255566 /nfs/dbraw/zinc/25/55/66/934255566.db2.gz FOOFTZWCUUNWMY-PXNSSMCTSA-N 2 2 384.520 3.855 20 0 GHADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1OC ZINC000561541307 934255575 /nfs/dbraw/zinc/25/55/75/934255575.db2.gz FOOFTZWCUUNWMY-PXNSSMCTSA-N 2 2 384.520 3.855 20 0 GHADLP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)CCc1c[nH+]cn1C ZINC000561545677 934260058 /nfs/dbraw/zinc/26/00/58/934260058.db2.gz ALAZKAOTVYCTTN-QHCPKHFHSA-N 2 2 396.579 3.544 20 0 GHADLP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)CCc1c[nH+]cn1C ZINC000561545677 934260069 /nfs/dbraw/zinc/26/00/69/934260069.db2.gz ALAZKAOTVYCTTN-QHCPKHFHSA-N 2 2 396.579 3.544 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc3ccccc3c2)[nH+]1 ZINC001119660693 934378946 /nfs/dbraw/zinc/37/89/46/934378946.db2.gz HOOSUAPWSJNSOE-VXKWHMMOSA-N 2 2 391.515 3.859 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc3ccccc3c2)[nH+]1 ZINC001119660693 934378951 /nfs/dbraw/zinc/37/89/51/934378951.db2.gz HOOSUAPWSJNSOE-VXKWHMMOSA-N 2 2 391.515 3.859 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)n1cc[nH+]c1 ZINC001137781610 935786546 /nfs/dbraw/zinc/78/65/46/935786546.db2.gz NHOFAEZIDKVNIU-MYDTUXCISA-N 2 2 394.563 3.887 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)n1cc[nH+]c1 ZINC001137781610 935786549 /nfs/dbraw/zinc/78/65/49/935786549.db2.gz NHOFAEZIDKVNIU-MYDTUXCISA-N 2 2 394.563 3.887 20 0 GHADLP Fc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c(F)c1F ZINC001137938392 935880957 /nfs/dbraw/zinc/88/09/57/935880957.db2.gz GLIZCVWKZRRXAT-UHFFFAOYSA-N 2 2 390.449 3.971 20 0 GHADLP Fc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c(F)c1F ZINC001137938392 935880960 /nfs/dbraw/zinc/88/09/60/935880960.db2.gz GLIZCVWKZRRXAT-UHFFFAOYSA-N 2 2 390.449 3.971 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(C)c4ccccc34)C2)C1 ZINC001138014446 935928286 /nfs/dbraw/zinc/92/82/86/935928286.db2.gz NORLOYVFJXVGNY-XMMPIXPASA-N 2 2 382.548 3.709 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(C)c4ccccc34)C2)C1 ZINC001138014446 935928290 /nfs/dbraw/zinc/92/82/90/935928290.db2.gz NORLOYVFJXVGNY-XMMPIXPASA-N 2 2 382.548 3.709 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(C)c4ccccc34)C2)C1 ZINC001138014446 935928292 /nfs/dbraw/zinc/92/82/92/935928292.db2.gz NORLOYVFJXVGNY-XMMPIXPASA-N 2 2 382.548 3.709 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(C)c4ccccc34)C2)C1 ZINC001138014446 935928294 /nfs/dbraw/zinc/92/82/94/935928294.db2.gz NORLOYVFJXVGNY-XMMPIXPASA-N 2 2 382.548 3.709 20 0 GHADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)CC3 ZINC000545198285 1015645205 /nfs/dbraw/zinc/64/52/05/1015645205.db2.gz QXHRNTGEBFHGCK-MRXNPFEDSA-N 2 2 385.552 3.513 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000468383931 1015651331 /nfs/dbraw/zinc/65/13/31/1015651331.db2.gz KZBFETKGAAWEET-LVCYWYKZSA-N 2 2 397.588 3.837 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000468383931 1015651351 /nfs/dbraw/zinc/65/13/51/1015651351.db2.gz KZBFETKGAAWEET-LVCYWYKZSA-N 2 2 397.588 3.837 20 0 GHADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000468383931 1015651356 /nfs/dbraw/zinc/65/13/56/1015651356.db2.gz KZBFETKGAAWEET-LVCYWYKZSA-N 2 2 397.588 3.837 20 0 GHADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000468383931 1015651365 /nfs/dbraw/zinc/65/13/65/1015651365.db2.gz KZBFETKGAAWEET-LVCYWYKZSA-N 2 2 397.588 3.837 20 0 GHADLP CC(C)C[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[NH2+][C@@H](C)c1ccccc1 ZINC000545448612 1015882925 /nfs/dbraw/zinc/88/29/25/1015882925.db2.gz UGHYPNOCNANPBA-ICSRJNTNSA-N 2 2 391.519 3.763 20 0 GHADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](CCSc2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000545866957 1016547488 /nfs/dbraw/zinc/54/74/88/1016547488.db2.gz HQECYFHGPHDYEJ-SFTDATJTSA-N 2 2 392.515 3.845 20 0 GHADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](CCSc2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000545866957 1016547497 /nfs/dbraw/zinc/54/74/97/1016547497.db2.gz HQECYFHGPHDYEJ-SFTDATJTSA-N 2 2 392.515 3.845 20 0 GHADLP O=C(c1cccc2[nH+]ccn21)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001154521392 1032159837 /nfs/dbraw/zinc/15/98/37/1032159837.db2.gz DPSVHECWEQAGTM-UHFFFAOYSA-N 2 2 388.515 3.853 20 0 GHADLP CN(C(=O)NCC1C(C)(C)C1(C)C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001226964687 1032214992 /nfs/dbraw/zinc/21/49/92/1032214992.db2.gz WCDQMYGSCLESLE-RBUKOAKNSA-N 2 2 392.632 3.647 20 0 GHADLP CN(C(=O)NCC1C(C)(C)C1(C)C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001226964687 1032215005 /nfs/dbraw/zinc/21/50/05/1032215005.db2.gz WCDQMYGSCLESLE-RBUKOAKNSA-N 2 2 392.632 3.647 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@@H](C[NH3+])c1cccc(OC)c1)c1ccccc1Cl ZINC001221403286 1032399894 /nfs/dbraw/zinc/39/98/94/1032399894.db2.gz AZTGEBAVWAWXJG-PMACEKPBSA-N 2 2 389.927 3.548 20 0 GHADLP F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155064450 1032400105 /nfs/dbraw/zinc/40/01/05/1032400105.db2.gz QWVDIKVHBUOYKR-IBGZPJMESA-N 2 2 387.846 3.965 20 0 GHADLP c1cc(C[NH+]2CCCCC2)cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000564192407 1019024748 /nfs/dbraw/zinc/02/47/48/1019024748.db2.gz FDUJDGXWVIMSQI-WOJBJXKFSA-N 2 2 382.508 3.648 20 0 GHADLP c1cc(C[NH+]2CCCCC2)cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000564192407 1019024762 /nfs/dbraw/zinc/02/47/62/1019024762.db2.gz FDUJDGXWVIMSQI-WOJBJXKFSA-N 2 2 382.508 3.648 20 0 GHADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(Cl)c1 ZINC000575735896 1019941978 /nfs/dbraw/zinc/94/19/78/1019941978.db2.gz JREOUMYKBNYAEL-CVAIRZPRSA-N 2 2 393.959 3.502 20 0 GHADLP COc1ccccc1-n1nccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000578919157 1020369721 /nfs/dbraw/zinc/36/97/21/1020369721.db2.gz MNFQCMTVQPEVHW-UHFFFAOYSA-N 2 2 379.508 3.770 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(C(F)(F)F)cc4F)C[C@H]3C2)cn1 ZINC001204467400 1032907932 /nfs/dbraw/zinc/90/79/32/1032907932.db2.gz IKHSSPFECVKUDO-NVXWUHKLSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(C(F)(F)F)cc4F)C[C@H]3C2)cn1 ZINC001204467400 1032907934 /nfs/dbraw/zinc/90/79/34/1032907934.db2.gz IKHSSPFECVKUDO-NVXWUHKLSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(C(F)(F)F)cc4F)C[C@H]3C2)cn1 ZINC001204467400 1032907938 /nfs/dbraw/zinc/90/79/38/1032907938.db2.gz IKHSSPFECVKUDO-NVXWUHKLSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(C(F)(F)F)cc4F)C[C@H]3C2)cn1 ZINC001204467400 1032907940 /nfs/dbraw/zinc/90/79/40/1032907940.db2.gz IKHSSPFECVKUDO-NVXWUHKLSA-N 2 2 396.432 3.532 20 0 GHADLP C[NH+](C)C1(CNc2nc3ccccc3c(-c3ccccc3)n2)CC[NH+](C)CC1 ZINC001156182101 1032914597 /nfs/dbraw/zinc/91/45/97/1032914597.db2.gz MZLDOESBCQPRBJ-UHFFFAOYSA-N 2 2 375.520 3.735 20 0 GHADLP COCc1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000191840521 1020820553 /nfs/dbraw/zinc/82/05/53/1020820553.db2.gz UZAFACPPDNDHPY-WMZHIEFXSA-N 2 2 398.547 3.783 20 0 GHADLP COCc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000191840521 1020820556 /nfs/dbraw/zinc/82/05/56/1020820556.db2.gz UZAFACPPDNDHPY-WMZHIEFXSA-N 2 2 398.547 3.783 20 0 GHADLP CC[C@@H]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001228543041 1032977732 /nfs/dbraw/zinc/97/77/32/1032977732.db2.gz PNRUMFPPHBLRGN-KRXUUXHPSA-N 2 2 392.632 3.791 20 0 GHADLP CC[C@@H]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001228543041 1032977740 /nfs/dbraw/zinc/97/77/40/1032977740.db2.gz PNRUMFPPHBLRGN-KRXUUXHPSA-N 2 2 392.632 3.791 20 0 GHADLP c1csc(-c2cccc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)c2)n1 ZINC001140332661 1021428554 /nfs/dbraw/zinc/42/85/54/1021428554.db2.gz ZQTPHVAPBBYTOE-SFTDATJTSA-N 2 2 376.529 3.769 20 0 GHADLP c1csc(-c2cccc(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccnc5)C[C@@H]4C3)c2)n1 ZINC001140332660 1021428831 /nfs/dbraw/zinc/42/88/31/1021428831.db2.gz ZQTPHVAPBBYTOE-OYRHEFFESA-N 2 2 376.529 3.769 20 0 GHADLP c1csc(-c2cccc(C[NH+]3C[C@@H]4C[N@H+](Cc5cccnc5)C[C@@H]4C3)c2)n1 ZINC001140332660 1021428834 /nfs/dbraw/zinc/42/88/34/1021428834.db2.gz ZQTPHVAPBBYTOE-OYRHEFFESA-N 2 2 376.529 3.769 20 0 GHADLP c1csc(-c2cccc(C[N@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)c2)n1 ZINC001140332660 1021428840 /nfs/dbraw/zinc/42/88/40/1021428840.db2.gz ZQTPHVAPBBYTOE-OYRHEFFESA-N 2 2 376.529 3.769 20 0 GHADLP c1csc(-c2cccc(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)c2)n1 ZINC001140332660 1021428845 /nfs/dbraw/zinc/42/88/45/1021428845.db2.gz ZQTPHVAPBBYTOE-OYRHEFFESA-N 2 2 376.529 3.769 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3ccc4c(c3)CCO4)CC2)cc1 ZINC000834885496 1021612246 /nfs/dbraw/zinc/61/22/46/1021612246.db2.gz ACXJRMLKHVPLTI-KRWDZBQOSA-N 2 2 393.531 3.895 20 0 GHADLP COc1cc(C[N@H+](C)C2CC[NH+](C)CC2)c(OCc2ccccc2)cc1OC ZINC001204603750 1032991328 /nfs/dbraw/zinc/99/13/28/1032991328.db2.gz WTKQOUIQEJGDEV-UHFFFAOYSA-N 2 2 384.520 3.809 20 0 GHADLP COc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)c(OCc2ccccc2)cc1OC ZINC001204603750 1032991330 /nfs/dbraw/zinc/99/13/30/1032991330.db2.gz WTKQOUIQEJGDEV-UHFFFAOYSA-N 2 2 384.520 3.809 20 0 GHADLP Brc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)[C@H]2CCCO2)cc1 ZINC000679333306 1021989263 /nfs/dbraw/zinc/98/92/63/1021989263.db2.gz IZAWOCQIAHVJGH-MSOLQXFVSA-N 2 2 378.314 3.936 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835479999 1022174457 /nfs/dbraw/zinc/17/44/57/1022174457.db2.gz GTRQUQLPWQPMHG-WMZHIEFXSA-N 2 2 389.499 3.999 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835479999 1022174467 /nfs/dbraw/zinc/17/44/67/1022174467.db2.gz GTRQUQLPWQPMHG-WMZHIEFXSA-N 2 2 389.499 3.999 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(Br)c1 ZINC001140761163 1022461912 /nfs/dbraw/zinc/46/19/12/1022461912.db2.gz VAIVCTAEEHVCFX-INIZCTEOSA-N 2 2 377.282 3.814 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(Br)c1 ZINC001140761163 1022461919 /nfs/dbraw/zinc/46/19/19/1022461919.db2.gz VAIVCTAEEHVCFX-INIZCTEOSA-N 2 2 377.282 3.814 20 0 GHADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(Br)cc3C(F)(F)F)C[C@@H]2C1 ZINC001140776019 1022498289 /nfs/dbraw/zinc/49/82/89/1022498289.db2.gz WDDIJMIRPWHMQK-YPMHNXCESA-N 2 2 377.248 3.851 20 0 GHADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(Br)cc3C(F)(F)F)C[C@@H]2C1 ZINC001140776019 1022498293 /nfs/dbraw/zinc/49/82/93/1022498293.db2.gz WDDIJMIRPWHMQK-YPMHNXCESA-N 2 2 377.248 3.851 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(Br)cc3C(F)(F)F)C[C@@H]2C1 ZINC001140776019 1022498302 /nfs/dbraw/zinc/49/83/02/1022498302.db2.gz WDDIJMIRPWHMQK-YPMHNXCESA-N 2 2 377.248 3.851 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3C(F)(F)F)C[C@@H]2C1 ZINC001140776019 1022498310 /nfs/dbraw/zinc/49/83/10/1022498310.db2.gz WDDIJMIRPWHMQK-YPMHNXCESA-N 2 2 377.248 3.851 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(O)c(F)c1F)CC2 ZINC001140888521 1022804563 /nfs/dbraw/zinc/80/45/63/1022804563.db2.gz GNKLGVKETHERNX-INIZCTEOSA-N 2 2 392.446 3.519 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(O)c(F)c1F)CC2 ZINC001140888521 1022804574 /nfs/dbraw/zinc/80/45/74/1022804574.db2.gz GNKLGVKETHERNX-INIZCTEOSA-N 2 2 392.446 3.519 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)c(O)c(F)c1)CC2 ZINC001140988867 1023094836 /nfs/dbraw/zinc/09/48/36/1023094836.db2.gz PAHKGZAHHBKOAR-INIZCTEOSA-N 2 2 392.446 3.519 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)c(O)c(F)c1)CC2 ZINC001140988867 1023094849 /nfs/dbraw/zinc/09/48/49/1023094849.db2.gz PAHKGZAHHBKOAR-INIZCTEOSA-N 2 2 392.446 3.519 20 0 GHADLP CN(C(=O)/C=C/c1ccsc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755203059 1023124627 /nfs/dbraw/zinc/12/46/27/1023124627.db2.gz DKWAUFCCDJEEFX-MQFDZRFESA-N 2 2 375.582 3.557 20 0 GHADLP CN(C(=O)/C=C/c1ccsc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755203059 1023124631 /nfs/dbraw/zinc/12/46/31/1023124631.db2.gz DKWAUFCCDJEEFX-MQFDZRFESA-N 2 2 375.582 3.557 20 0 GHADLP COc1ccc(/C=C/C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000755214676 1023132851 /nfs/dbraw/zinc/13/28/51/1023132851.db2.gz VALLTOZUXHBJHO-HBSUSQTFSA-N 2 2 399.579 3.504 20 0 GHADLP COc1ccc(/C=C/C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000755214676 1023132862 /nfs/dbraw/zinc/13/28/62/1023132862.db2.gz VALLTOZUXHBJHO-HBSUSQTFSA-N 2 2 399.579 3.504 20 0 GHADLP c1cc(-c2ccccn2)sc1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140999989 1023135812 /nfs/dbraw/zinc/13/58/12/1023135812.db2.gz NZCFVJOMPFZJEI-QZTJIDSGSA-N 2 2 376.529 3.769 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccncc2NC(=O)OC(C)(C)C)CC1 ZINC001141085211 1023453591 /nfs/dbraw/zinc/45/35/91/1023453591.db2.gz XUDIHXMEIVANGQ-UHFFFAOYSA-N 2 2 397.523 3.871 20 0 GHADLP CC[NH+]1CCN(c2ccc([NH2+][C@H](C)CCc3ccc(OC)c(O)c3)cc2)CC1 ZINC000756081836 1023513701 /nfs/dbraw/zinc/51/37/01/1023513701.db2.gz GDYXHVXIGFITRM-GOSISDBHSA-N 2 2 383.536 3.976 20 0 GHADLP Fc1ccc(-c2cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)ccn2)cc1 ZINC001141117704 1023538523 /nfs/dbraw/zinc/53/85/23/1023538523.db2.gz UAHQDSNVCFMBRT-SFTDATJTSA-N 2 2 388.490 3.847 20 0 GHADLP [NH3+]C[C@@H]1[C@H]2C[N@@H+](Cc3cc(C(F)(F)F)c(Br)cc3Cl)C[C@H]21 ZINC001204918591 1033165760 /nfs/dbraw/zinc/16/57/60/1033165760.db2.gz IJOOVOOVOGEATP-OWUUHHOZSA-N 2 2 383.639 3.758 20 0 GHADLP [NH3+]C[C@@H]1[C@H]2C[N@H+](Cc3cc(C(F)(F)F)c(Br)cc3Cl)C[C@H]21 ZINC001204918591 1033165766 /nfs/dbraw/zinc/16/57/66/1033165766.db2.gz IJOOVOOVOGEATP-OWUUHHOZSA-N 2 2 383.639 3.758 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(F)c1 ZINC001204921786 1033166795 /nfs/dbraw/zinc/16/67/95/1033166795.db2.gz AMPIKAFBYJFWTQ-HYVJGQCMSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(F)c1 ZINC001204921786 1033166804 /nfs/dbraw/zinc/16/68/04/1033166804.db2.gz AMPIKAFBYJFWTQ-HYVJGQCMSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(F)c1 ZINC001204921786 1033166808 /nfs/dbraw/zinc/16/68/08/1033166808.db2.gz AMPIKAFBYJFWTQ-HYVJGQCMSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(F)c1 ZINC001204921786 1033166819 /nfs/dbraw/zinc/16/68/19/1033166819.db2.gz AMPIKAFBYJFWTQ-HYVJGQCMSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc2nccc(C[N@@H+]3CCC[C@]4(C3)COCC[NH+](C(C)C)C4)c2c1 ZINC001141149001 1023971586 /nfs/dbraw/zinc/97/15/86/1023971586.db2.gz YTVMCEWJAQJGFT-HSZRJFAPSA-N 2 2 383.536 3.566 20 0 GHADLP COc1ccc2nccc(C[N@H+]3CCC[C@]4(C3)COCC[NH+](C(C)C)C4)c2c1 ZINC001141149001 1023971590 /nfs/dbraw/zinc/97/15/90/1023971590.db2.gz YTVMCEWJAQJGFT-HSZRJFAPSA-N 2 2 383.536 3.566 20 0 GHADLP COc1ccc2nccc(C[NH+]3CCC[C@]4(C3)COCC[N@@H+](C(C)C)C4)c2c1 ZINC001141149001 1023971597 /nfs/dbraw/zinc/97/15/97/1023971597.db2.gz YTVMCEWJAQJGFT-HSZRJFAPSA-N 2 2 383.536 3.566 20 0 GHADLP COc1ccc2nccc(C[NH+]3CCC[C@]4(C3)COCC[N@H+](C(C)C)C4)c2c1 ZINC001141149001 1023971602 /nfs/dbraw/zinc/97/16/02/1023971602.db2.gz YTVMCEWJAQJGFT-HSZRJFAPSA-N 2 2 383.536 3.566 20 0 GHADLP CCOC(=O)C1CC[NH+](Cc2cccc(Nc3ccn4cc[nH+]c4c3)c2)CC1 ZINC001204990592 1033197891 /nfs/dbraw/zinc/19/78/91/1033197891.db2.gz BFIRYXFFVCQFGI-UHFFFAOYSA-N 2 2 378.476 3.853 20 0 GHADLP CCOc1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)c(C)c1 ZINC001138433359 1024836612 /nfs/dbraw/zinc/83/66/12/1024836612.db2.gz IVJHHANIGOBBLQ-UHFFFAOYSA-N 2 2 382.552 3.758 20 0 GHADLP CCOc1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)c(C)c1 ZINC001138433359 1024836636 /nfs/dbraw/zinc/83/66/36/1024836636.db2.gz IVJHHANIGOBBLQ-UHFFFAOYSA-N 2 2 382.552 3.758 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)ccc1OC(F)F ZINC001138554096 1025008808 /nfs/dbraw/zinc/00/88/08/1025008808.db2.gz YXGWWWPSQDOVTL-HOTGVXAUSA-N 2 2 394.487 3.922 20 0 GHADLP CCn1nc(C)c(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c1C ZINC001138643187 1025150252 /nfs/dbraw/zinc/15/02/52/1025150252.db2.gz JNXDFRCZAFTGRQ-UHFFFAOYSA-N 2 2 393.535 3.698 20 0 GHADLP CCn1nc(C)c(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c1C ZINC001138643187 1025150261 /nfs/dbraw/zinc/15/02/61/1025150261.db2.gz JNXDFRCZAFTGRQ-UHFFFAOYSA-N 2 2 393.535 3.698 20 0 GHADLP CCn1nc(C)c(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1C ZINC001138643187 1025150269 /nfs/dbraw/zinc/15/02/69/1025150269.db2.gz JNXDFRCZAFTGRQ-UHFFFAOYSA-N 2 2 393.535 3.698 20 0 GHADLP CCn1nc(C)c(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1C ZINC001138643187 1025150273 /nfs/dbraw/zinc/15/02/73/1025150273.db2.gz JNXDFRCZAFTGRQ-UHFFFAOYSA-N 2 2 393.535 3.698 20 0 GHADLP CSc1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001138704248 1025229214 /nfs/dbraw/zinc/22/92/14/1025229214.db2.gz YSDORXKGDLABPJ-WDSOQIARSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001138704248 1025229222 /nfs/dbraw/zinc/22/92/22/1025229222.db2.gz YSDORXKGDLABPJ-WDSOQIARSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001138704248 1025229230 /nfs/dbraw/zinc/22/92/30/1025229230.db2.gz YSDORXKGDLABPJ-WDSOQIARSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001138704248 1025229241 /nfs/dbraw/zinc/22/92/41/1025229241.db2.gz YSDORXKGDLABPJ-WDSOQIARSA-N 2 2 388.606 3.993 20 0 GHADLP Fc1cc2ncccc2cc1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001141627627 1025950335 /nfs/dbraw/zinc/95/03/35/1025950335.db2.gz WRSGFBJSYYGMDV-UHFFFAOYSA-N 2 2 393.510 3.615 20 0 GHADLP Fc1cc2ncccc2cc1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001141627627 1025950338 /nfs/dbraw/zinc/95/03/38/1025950338.db2.gz WRSGFBJSYYGMDV-UHFFFAOYSA-N 2 2 393.510 3.615 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc4ccn(C)c4c2)CC3)cn1 ZINC001139206193 1026052822 /nfs/dbraw/zinc/05/28/22/1026052822.db2.gz ONPUZOVJSCHNBL-UHFFFAOYSA-N 2 2 377.536 3.542 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccc4ccn(C)c4c2)CC3)cn1 ZINC001139206193 1026052844 /nfs/dbraw/zinc/05/28/44/1026052844.db2.gz ONPUZOVJSCHNBL-UHFFFAOYSA-N 2 2 377.536 3.542 20 0 GHADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)sc2Br)C1 ZINC001461068887 1069374558 /nfs/dbraw/zinc/37/45/58/1069374558.db2.gz NMXWDVOMKOQSDC-VIFPVBQESA-N 2 2 382.165 3.705 20 0 GHADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)sc2Br)C1 ZINC001461068887 1069374560 /nfs/dbraw/zinc/37/45/60/1069374560.db2.gz NMXWDVOMKOQSDC-VIFPVBQESA-N 2 2 382.165 3.705 20 0 GHADLP C[NH+]1CCN(c2cccc(N[C@H](c3cccnc3C(F)(F)F)C3CC3)[nH+]2)CC1 ZINC001163391169 1026175880 /nfs/dbraw/zinc/17/58/80/1026175880.db2.gz FEOLMXIXLIVEKR-SFHVURJKSA-N 2 2 391.441 3.810 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(N5CCCCC5)nc4)C[C@@H]3C2)c1 ZINC001139339849 1026202796 /nfs/dbraw/zinc/20/27/96/1026202796.db2.gz DAFLFIPESLGFNV-WOJBJXKFSA-N 2 2 382.577 3.697 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356198 1026227154 /nfs/dbraw/zinc/22/71/54/1026227154.db2.gz IDNAMVKDUHGONI-JOCHJYFZSA-N 2 2 382.508 3.848 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356198 1026227159 /nfs/dbraw/zinc/22/71/59/1026227159.db2.gz IDNAMVKDUHGONI-JOCHJYFZSA-N 2 2 382.508 3.848 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2C1 ZINC001139361951 1026236836 /nfs/dbraw/zinc/23/68/36/1026236836.db2.gz FHEQEXWLVBNZPX-MOPGFXCFSA-N 2 2 382.508 3.561 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2C1 ZINC001139361951 1026236847 /nfs/dbraw/zinc/23/68/47/1026236847.db2.gz FHEQEXWLVBNZPX-MOPGFXCFSA-N 2 2 382.508 3.561 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001139396208 1026266533 /nfs/dbraw/zinc/26/65/33/1026266533.db2.gz PDYFNOHROZUBEU-HOTGVXAUSA-N 2 2 395.528 3.580 20 0 GHADLP Cc1ccc(Cl)c(CNc2nc(N3CCC(C[NH3+])CC3)[nH+]cc2C)c1F ZINC001163656337 1026269695 /nfs/dbraw/zinc/26/96/95/1026269695.db2.gz KQXDMMUXNGNZFF-UHFFFAOYSA-N 2 2 377.895 3.673 20 0 GHADLP Cc1cccc(N2CCN(c3[nH+]cnc4c3ccn4Cc3ccccc3)CC2)[nH+]1 ZINC001163665928 1026272754 /nfs/dbraw/zinc/27/27/54/1026272754.db2.gz LFHDORQMIFHOPM-UHFFFAOYSA-N 2 2 384.487 3.510 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC001141706537 1026303788 /nfs/dbraw/zinc/30/37/88/1026303788.db2.gz KNOCVHWZWHUMSL-KRWDZBQOSA-N 2 2 398.429 3.736 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(Cl)n1)CC2 ZINC001139549250 1026413799 /nfs/dbraw/zinc/41/37/99/1026413799.db2.gz HWLPRGFISPHBPO-KRWDZBQOSA-N 2 2 375.900 3.584 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnc4c(c3)OCCO4)C[C@@H]21 ZINC001139735323 1026577163 /nfs/dbraw/zinc/57/71/63/1026577163.db2.gz XEWQQSSBNDYNMN-YZGWKJHDSA-N 2 2 399.560 3.647 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnc4c(c3)OCCO4)C[C@@H]21 ZINC001139735323 1026577168 /nfs/dbraw/zinc/57/71/68/1026577168.db2.gz XEWQQSSBNDYNMN-YZGWKJHDSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc4c(c3)OCCO4)C[C@@H]21 ZINC001139735323 1026577175 /nfs/dbraw/zinc/57/71/75/1026577175.db2.gz XEWQQSSBNDYNMN-YZGWKJHDSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc4c(c3)OCCO4)C[C@@H]21 ZINC001139735323 1026577185 /nfs/dbraw/zinc/57/71/85/1026577185.db2.gz XEWQQSSBNDYNMN-YZGWKJHDSA-N 2 2 399.560 3.647 20 0 GHADLP C[N@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)C(C)(C)Cc1ccccc1 ZINC001139763781 1026602827 /nfs/dbraw/zinc/60/28/27/1026602827.db2.gz DALHXIGBHIXKMA-UHFFFAOYSA-N 2 2 382.548 3.851 20 0 GHADLP C[N@@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)C(C)(C)Cc1ccccc1 ZINC001139763781 1026602831 /nfs/dbraw/zinc/60/28/31/1026602831.db2.gz DALHXIGBHIXKMA-UHFFFAOYSA-N 2 2 382.548 3.851 20 0 GHADLP CC(C)(C)OC(=O)Nc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)cc[nH+]1 ZINC001165385808 1026715749 /nfs/dbraw/zinc/71/57/49/1026715749.db2.gz ZERRSMWMYWSDSZ-UHFFFAOYSA-N 2 2 398.507 3.873 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001140024155 1026810618 /nfs/dbraw/zinc/81/06/18/1026810618.db2.gz AJYPLWHFOJINEL-UHFFFAOYSA-N 2 2 396.498 3.634 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001140024155 1026810626 /nfs/dbraw/zinc/81/06/26/1026810626.db2.gz AJYPLWHFOJINEL-UHFFFAOYSA-N 2 2 396.498 3.634 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H](C(N)=O)c1ccccc1 ZINC001140026920 1026814984 /nfs/dbraw/zinc/81/49/84/1026814984.db2.gz PXAOXGULUIWKHB-PKTZIBPZSA-N 2 2 388.515 3.804 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H](C(N)=O)c1ccccc1 ZINC001140026920 1026814991 /nfs/dbraw/zinc/81/49/91/1026814991.db2.gz PXAOXGULUIWKHB-PKTZIBPZSA-N 2 2 388.515 3.804 20 0 GHADLP CC(C)(C)C[N@H+](Cc1c[nH+]ccc1N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001209732952 1027127031 /nfs/dbraw/zinc/12/70/31/1027127031.db2.gz OFVUAWYIAYLHTD-UHFFFAOYSA-N 2 2 376.545 3.742 20 0 GHADLP CC(C)(C)C[N@@H+](Cc1c[nH+]ccc1N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001209732952 1027127039 /nfs/dbraw/zinc/12/70/39/1027127039.db2.gz OFVUAWYIAYLHTD-UHFFFAOYSA-N 2 2 376.545 3.742 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cn(C)c3ncccc13)CC2 ZINC001209745020 1027136950 /nfs/dbraw/zinc/13/69/50/1027136950.db2.gz QIXMIPSXSGFVRZ-UHFFFAOYSA-N 2 2 393.535 3.809 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cn(C)c3ncccc13)CC2 ZINC001209745020 1027136959 /nfs/dbraw/zinc/13/69/59/1027136959.db2.gz QIXMIPSXSGFVRZ-UHFFFAOYSA-N 2 2 393.535 3.809 20 0 GHADLP COC(=O)c1ccc(-c2ccc(N3CCC([C@H]4CCC[NH2+]4)CC3)[nH+]c2C)cc1 ZINC001166900118 1027142082 /nfs/dbraw/zinc/14/20/82/1027142082.db2.gz KZDHOTRDDYQIGS-OAQYLSRUSA-N 2 2 379.504 3.812 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)CCOCC1)c1ccccc1 ZINC001461227921 1069452056 /nfs/dbraw/zinc/45/20/56/1069452056.db2.gz FMQRCYUVQCRQIN-VQTJNVASSA-N 2 2 395.547 3.893 20 0 GHADLP CN(Cc1ccccc1)c1ccc(Nc2cnn(C3CC[NH+](C)CC3)c2)c[nH+]1 ZINC001203515366 1027393062 /nfs/dbraw/zinc/39/30/62/1027393062.db2.gz JFVINSHXKDCNAN-UHFFFAOYSA-N 2 2 376.508 3.925 20 0 GHADLP Cc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c(C)c1 ZINC001203744440 1027565284 /nfs/dbraw/zinc/56/52/84/1027565284.db2.gz DICQESDAUNIFFB-HXUWFJFHSA-N 2 2 387.568 3.867 20 0 GHADLP Cc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c(C)c1 ZINC001203744440 1027565290 /nfs/dbraw/zinc/56/52/90/1027565290.db2.gz DICQESDAUNIFFB-HXUWFJFHSA-N 2 2 387.568 3.867 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3c(OC)ccc4ccccc43)CC2)C1 ZINC001203991240 1027789426 /nfs/dbraw/zinc/78/94/26/1027789426.db2.gz OBNNUMISMCFOCK-LJQANCHMSA-N 2 2 396.531 3.698 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c(OC)ccc4ccccc43)CC2)C1 ZINC001203991240 1027789443 /nfs/dbraw/zinc/78/94/43/1027789443.db2.gz OBNNUMISMCFOCK-LJQANCHMSA-N 2 2 396.531 3.698 20 0 GHADLP CC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001461286101 1069481544 /nfs/dbraw/zinc/48/15/44/1069481544.db2.gz NEQXXXIVBKCCPJ-YADHBBJMSA-N 2 2 396.560 3.703 20 0 GHADLP CN(C(=O)OCCc1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001211394701 1027939839 /nfs/dbraw/zinc/93/98/39/1027939839.db2.gz RZRVTBFZQFKAJH-YADHBBJMSA-N 2 2 387.568 3.635 20 0 GHADLP CN(C(=O)OCCc1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001211394701 1027939845 /nfs/dbraw/zinc/93/98/45/1027939845.db2.gz RZRVTBFZQFKAJH-YADHBBJMSA-N 2 2 387.568 3.635 20 0 GHADLP COc1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1OCC(C)C ZINC001461357260 1069516352 /nfs/dbraw/zinc/51/63/52/1069516352.db2.gz QFMAEESPBVRZBP-FQEVSTJZSA-N 2 2 398.551 3.877 20 0 GHADLP c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccc5c(c4)OCCCO5)C[C@H]3C2)cc1 ZINC001142273932 1028546367 /nfs/dbraw/zinc/54/63/67/1028546367.db2.gz JPEMSSBESLADNU-YADHBBJMSA-N 2 2 378.516 3.802 20 0 GHADLP c1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccc5c(c4)OCCCO5)C[C@H]3C2)cc1 ZINC001142273932 1028546383 /nfs/dbraw/zinc/54/63/83/1028546383.db2.gz JPEMSSBESLADNU-YADHBBJMSA-N 2 2 378.516 3.802 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccc5c(c4)OCCCO5)C[C@H]3C2)cc1 ZINC001142273932 1028546398 /nfs/dbraw/zinc/54/63/98/1028546398.db2.gz JPEMSSBESLADNU-YADHBBJMSA-N 2 2 378.516 3.802 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccc5c(c4)OCCCO5)C[C@H]3C2)cc1 ZINC001142273932 1028546413 /nfs/dbraw/zinc/54/64/13/1028546413.db2.gz JPEMSSBESLADNU-YADHBBJMSA-N 2 2 378.516 3.802 20 0 GHADLP CCOc1ccc(-c2noc(-c3c[nH+]ccc3N3CC[NH+](C)CC3)n2)cc1Cl ZINC001214673776 1028852611 /nfs/dbraw/zinc/85/26/11/1028852611.db2.gz HCFDAWDFCWYYFV-UHFFFAOYSA-N 2 2 399.882 3.603 20 0 GHADLP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CC2)cc1 ZINC001142662465 1029225946 /nfs/dbraw/zinc/22/59/46/1029225946.db2.gz JQUVWVWPHWEEQR-QFIPXVFZSA-N 2 2 398.551 3.507 20 0 GHADLP CC[NH+](CC)[C@@H](c1nc([C@@H]2CCC[NH2+]C2)no1)c1cccc(C(F)(F)F)c1 ZINC000842666769 1029469664 /nfs/dbraw/zinc/46/96/64/1029469664.db2.gz GMGILULSYYUTJM-GDBMZVCRSA-N 2 2 382.430 3.987 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC[C@H](C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000842782060 1029586270 /nfs/dbraw/zinc/58/62/70/1029586270.db2.gz INKOGIOUDSSKQN-PKOBYXMFSA-N 2 2 387.568 3.821 20 0 GHADLP Cn1nc(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001143005979 1029774284 /nfs/dbraw/zinc/77/42/84/1029774284.db2.gz HEWQZJGBFPLZHY-KDURUIRLSA-N 2 2 378.545 3.712 20 0 GHADLP Cn1nc(-c2ccccc2)cc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001143005979 1029774291 /nfs/dbraw/zinc/77/42/91/1029774291.db2.gz HEWQZJGBFPLZHY-KDURUIRLSA-N 2 2 378.545 3.712 20 0 GHADLP Cn1nc(-c2ccccc2)cc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001143005979 1029774301 /nfs/dbraw/zinc/77/43/01/1029774301.db2.gz HEWQZJGBFPLZHY-KDURUIRLSA-N 2 2 378.545 3.712 20 0 GHADLP Cn1nc(-c2ccccc2)cc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001143005979 1029774306 /nfs/dbraw/zinc/77/43/06/1029774306.db2.gz HEWQZJGBFPLZHY-KDURUIRLSA-N 2 2 378.545 3.712 20 0 GHADLP Clc1ncc(Br)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000843396497 1029967503 /nfs/dbraw/zinc/96/75/03/1029967503.db2.gz MYLBYWXHANLIEG-BLLLJJGKSA-N 2 2 384.749 3.946 20 0 GHADLP Clc1ncc(Br)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000843396497 1029967511 /nfs/dbraw/zinc/96/75/11/1029967511.db2.gz MYLBYWXHANLIEG-BLLLJJGKSA-N 2 2 384.749 3.946 20 0 GHADLP Clc1ncc(Br)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000843396497 1029967519 /nfs/dbraw/zinc/96/75/19/1029967519.db2.gz MYLBYWXHANLIEG-BLLLJJGKSA-N 2 2 384.749 3.946 20 0 GHADLP Clc1ncc(Br)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000843396497 1029967523 /nfs/dbraw/zinc/96/75/23/1029967523.db2.gz MYLBYWXHANLIEG-BLLLJJGKSA-N 2 2 384.749 3.946 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398303 1029968674 /nfs/dbraw/zinc/96/86/74/1029968674.db2.gz VTRIBNQNHHNUFS-PXNSSMCTSA-N 2 2 384.524 3.667 20 0 GHADLP Clc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001222186949 1029993133 /nfs/dbraw/zinc/99/31/33/1029993133.db2.gz VDLITQKTXJZNQR-UHFFFAOYSA-N 2 2 386.923 3.873 20 0 GHADLP Clc1cc(OCc2ccccc2)ccc1C[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001222186949 1029993135 /nfs/dbraw/zinc/99/31/35/1029993135.db2.gz VDLITQKTXJZNQR-UHFFFAOYSA-N 2 2 386.923 3.873 20 0 GHADLP Cn1c2ccccc2c(C[N@@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)c1-c1ccccc1 ZINC001222369567 1030094324 /nfs/dbraw/zinc/09/43/24/1030094324.db2.gz YDVRKQFKYHXNDM-XMMPIXPASA-N 2 2 375.516 3.800 20 0 GHADLP Cn1c2ccccc2c(C[N@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)c1-c1ccccc1 ZINC001222369567 1030094340 /nfs/dbraw/zinc/09/43/40/1030094340.db2.gz YDVRKQFKYHXNDM-XMMPIXPASA-N 2 2 375.516 3.800 20 0 GHADLP CCOc1ccnc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222590062 1030213621 /nfs/dbraw/zinc/21/36/21/1030213621.db2.gz DFECCALPDNRFCO-QFIPXVFZSA-N 2 2 395.547 3.784 20 0 GHADLP CCOc1ccnc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222590062 1030213635 /nfs/dbraw/zinc/21/36/35/1030213635.db2.gz DFECCALPDNRFCO-QFIPXVFZSA-N 2 2 395.547 3.784 20 0 GHADLP Oc1cccc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1F ZINC001222590516 1030215962 /nfs/dbraw/zinc/21/59/62/1030215962.db2.gz IPIVAQIBDACVNA-FQEVSTJZSA-N 2 2 384.495 3.835 20 0 GHADLP Oc1cccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1F ZINC001222590516 1030215967 /nfs/dbraw/zinc/21/59/67/1030215967.db2.gz IPIVAQIBDACVNA-FQEVSTJZSA-N 2 2 384.495 3.835 20 0 GHADLP Cc1nc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)ccc1F ZINC001222595549 1030221848 /nfs/dbraw/zinc/22/18/48/1030221848.db2.gz CNCZKJSSKBKLQL-NRFANRHFSA-N 2 2 383.511 3.833 20 0 GHADLP Cc1nc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)ccc1F ZINC001222595549 1030221866 /nfs/dbraw/zinc/22/18/66/1030221866.db2.gz CNCZKJSSKBKLQL-NRFANRHFSA-N 2 2 383.511 3.833 20 0 GHADLP c1ccc(COc2cncc(C[N@@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)c2)cc1 ZINC001222614226 1030237255 /nfs/dbraw/zinc/23/72/55/1030237255.db2.gz CHRRDLMUSWTQJF-XMMPIXPASA-N 2 2 385.511 3.850 20 0 GHADLP c1ccc(COc2cncc(C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)c2)cc1 ZINC001222614226 1030237272 /nfs/dbraw/zinc/23/72/72/1030237272.db2.gz CHRRDLMUSWTQJF-XMMPIXPASA-N 2 2 385.511 3.850 20 0 GHADLP c1ccc(COc2cc(C[N@@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)ccn2)cc1 ZINC001222615835 1030239670 /nfs/dbraw/zinc/23/96/70/1030239670.db2.gz SYDXRHFBIGTZSZ-HSZRJFAPSA-N 2 2 385.511 3.850 20 0 GHADLP c1ccc(COc2cc(C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)ccn2)cc1 ZINC001222615835 1030239683 /nfs/dbraw/zinc/23/96/83/1030239683.db2.gz SYDXRHFBIGTZSZ-HSZRJFAPSA-N 2 2 385.511 3.850 20 0 GHADLP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001223748411 1030736498 /nfs/dbraw/zinc/73/64/98/1030736498.db2.gz MHVINAVCMUSRPK-IPMKNSEASA-N 2 2 391.519 3.527 20 0 GHADLP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001223748411 1030736515 /nfs/dbraw/zinc/73/65/15/1030736515.db2.gz MHVINAVCMUSRPK-IPMKNSEASA-N 2 2 391.519 3.527 20 0 GHADLP CC(C)[C@@]1(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)CCC[NH2+]C1 ZINC001220531851 1031979134 /nfs/dbraw/zinc/97/91/34/1031979134.db2.gz ATBFATTWGVNYQU-IEBWSBKVSA-N 2 2 386.367 3.738 20 0 GHADLP CC(C)[C@]1(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)CCC[NH2+]C1 ZINC001220531852 1031979311 /nfs/dbraw/zinc/97/93/11/1031979311.db2.gz ATBFATTWGVNYQU-MJGOQNOKSA-N 2 2 386.367 3.738 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1[NH2+]Cc2ccccc21)c1ccc(Cl)cc1Cl ZINC001220532353 1031979828 /nfs/dbraw/zinc/97/98/28/1031979828.db2.gz GWHIMISWHJHFKT-QZTJIDSGSA-N 2 2 378.303 3.557 20 0 GHADLP CCC[C@@H](C[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1)OC ZINC001206151789 1033743395 /nfs/dbraw/zinc/74/33/95/1033743395.db2.gz QYMJNRVKCRBELK-NRFANRHFSA-N 2 2 379.976 3.742 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc(OC)c1OCc1ccccc1 ZINC001206209424 1033764441 /nfs/dbraw/zinc/76/44/41/1033764441.db2.gz FGZKAZRYBNATBR-MOPGFXCFSA-N 2 2 388.483 3.544 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc(OC)c1OCc1ccccc1 ZINC001206209424 1033764457 /nfs/dbraw/zinc/76/44/57/1033764457.db2.gz FGZKAZRYBNATBR-MOPGFXCFSA-N 2 2 388.483 3.544 20 0 GHADLP C[NH+]1CCC(C[NH+]2CCN(c3c(Cl)ncc(Cl)c3Cl)CC2)CC1 ZINC001157838474 1033790082 /nfs/dbraw/zinc/79/00/82/1033790082.db2.gz ZGLCGUSREWPPCB-UHFFFAOYSA-N 2 2 377.747 3.506 20 0 GHADLP FC(F)(F)Oc1ccc([C@H]2CCCN2c2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC001157865278 1033802014 /nfs/dbraw/zinc/80/20/14/1033802014.db2.gz CDMTXKKTIMHZTH-GOSISDBHSA-N 2 2 392.425 3.731 20 0 GHADLP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)s1 ZINC001206343891 1033804534 /nfs/dbraw/zinc/80/45/34/1033804534.db2.gz KNCXPQNNTMYPKV-INIZCTEOSA-N 2 2 390.450 3.820 20 0 GHADLP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)s1 ZINC001206343891 1033804549 /nfs/dbraw/zinc/80/45/49/1033804549.db2.gz KNCXPQNNTMYPKV-INIZCTEOSA-N 2 2 390.450 3.820 20 0 GHADLP [NH3+]CCC1CC[NH+](Cc2cc(Br)cc(Br)c2F)CC1 ZINC001206507048 1033880515 /nfs/dbraw/zinc/88/05/15/1033880515.db2.gz YKNLHGAJRNWTAJ-UHFFFAOYSA-N 2 2 394.126 3.912 20 0 GHADLP Cc1ccc(I)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206607193 1033923088 /nfs/dbraw/zinc/92/30/88/1033923088.db2.gz XONVSLGQSXUSCB-MRXNPFEDSA-N 2 2 386.321 3.952 20 0 GHADLP Cc1ccc(I)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206607193 1033923093 /nfs/dbraw/zinc/92/30/93/1033923093.db2.gz XONVSLGQSXUSCB-MRXNPFEDSA-N 2 2 386.321 3.952 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4cnn([C@H]5CCCCO5)c4c3)cc2)C1 ZINC001206672480 1033938134 /nfs/dbraw/zinc/93/81/34/1033938134.db2.gz AWNWIZXKGNIJGB-FYYLOGMGSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4cnn([C@H]5CCCCO5)c4c3)cc2)C1 ZINC001206672480 1033938139 /nfs/dbraw/zinc/93/81/39/1033938139.db2.gz AWNWIZXKGNIJGB-FYYLOGMGSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3c(Cl)nc(Cl)c(Cl)c3Cl)CC2)C1 ZINC001158259838 1033991167 /nfs/dbraw/zinc/99/11/67/1033991167.db2.gz VYWXYYKJVPNUDH-QMMMGPOBSA-N 2 2 384.138 3.697 20 0 GHADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3c(Cl)nc(Cl)c(Cl)c3Cl)CC2)C1 ZINC001158259838 1033991169 /nfs/dbraw/zinc/99/11/69/1033991169.db2.gz VYWXYYKJVPNUDH-QMMMGPOBSA-N 2 2 384.138 3.697 20 0 GHADLP Cc1nc2scc(-c3cccs3)c2c(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158269879 1033995588 /nfs/dbraw/zinc/99/55/88/1033995588.db2.gz SAAVGLGSZVCAEI-AWEZNQCLSA-N 2 2 399.589 3.730 20 0 GHADLP Cc1nc2scc(-c3cccs3)c2c(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158269879 1033995592 /nfs/dbraw/zinc/99/55/92/1033995592.db2.gz SAAVGLGSZVCAEI-AWEZNQCLSA-N 2 2 399.589 3.730 20 0 GHADLP O=C(CC1=C(c2ccccc2)[NH2+]C(c2ccccc2)S1)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158413787 1034067518 /nfs/dbraw/zinc/06/75/18/1034067518.db2.gz ABTSCRJFYLRBBW-RBUKOAKNSA-N 2 2 390.532 3.582 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](CCCc3ccc(Br)cc3)CC2)c1 ZINC001207322899 1034271139 /nfs/dbraw/zinc/27/11/39/1034271139.db2.gz IRIGHKFNDIJSFT-UHFFFAOYSA-N 2 2 390.325 3.608 20 0 GHADLP CC1(C)C[C@H](C[NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)CCO1 ZINC001207362751 1034309103 /nfs/dbraw/zinc/30/91/03/1034309103.db2.gz JWOKBGAXCSCXJA-CYBMUJFWSA-N 2 2 378.314 3.701 20 0 GHADLP CC(C)(C)Oc1ccc([C@H]2CCN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)C2)cc1 ZINC001158972968 1034364068 /nfs/dbraw/zinc/36/40/68/1034364068.db2.gz PNSOZBMGLQUXSX-IBGZPJMESA-N 2 2 380.536 3.662 20 0 GHADLP CCO[C@H]1C[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)C12CCCC2 ZINC001207502477 1034407158 /nfs/dbraw/zinc/40/71/58/1034407158.db2.gz UYMULYHSEVDYKQ-YADHBBJMSA-N 2 2 386.580 3.995 20 0 GHADLP CCO[C@H]1C[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)C12CCCC2 ZINC001207502477 1034407163 /nfs/dbraw/zinc/40/71/63/1034407163.db2.gz UYMULYHSEVDYKQ-YADHBBJMSA-N 2 2 386.580 3.995 20 0 GHADLP CCO[C@@H]1C[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)C12CCCC2 ZINC001207502474 1034407393 /nfs/dbraw/zinc/40/73/93/1034407393.db2.gz UYMULYHSEVDYKQ-FCHUYYIVSA-N 2 2 386.580 3.995 20 0 GHADLP CCO[C@@H]1C[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)C12CCCC2 ZINC001207502474 1034407398 /nfs/dbraw/zinc/40/73/98/1034407398.db2.gz UYMULYHSEVDYKQ-FCHUYYIVSA-N 2 2 386.580 3.995 20 0 GHADLP COC(=O)c1ccc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)cc1C(F)(F)F ZINC001159261254 1034509833 /nfs/dbraw/zinc/50/98/33/1034509833.db2.gz CRVXWFCJJQINPS-UHFFFAOYSA-N 2 2 394.397 3.558 20 0 GHADLP C[C@H]1C[C@@H](C[NH+]2CCC(c3c[nH+]cn3C)CC2)CCN1C(=O)OC(C)(C)C ZINC001207822464 1034599218 /nfs/dbraw/zinc/59/92/18/1034599218.db2.gz AIFMJOZCFQTETC-IRXDYDNUSA-N 2 2 376.545 3.635 20 0 GHADLP Nc1cc(Cl)[nH+]c(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC001159521499 1034636841 /nfs/dbraw/zinc/63/68/41/1034636841.db2.gz XMMQESNXNDATEV-HXUWFJFHSA-N 2 2 396.922 3.792 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4coc(-c5ccccc5)n4)CC3)C2)co1 ZINC001231629906 1034790153 /nfs/dbraw/zinc/79/01/53/1034790153.db2.gz RXVQANRQMFBYOE-UHFFFAOYSA-N 2 2 393.487 3.802 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4coc(-c5ccccc5)n4)CC3)C2)co1 ZINC001231629906 1034790156 /nfs/dbraw/zinc/79/01/56/1034790156.db2.gz RXVQANRQMFBYOE-UHFFFAOYSA-N 2 2 393.487 3.802 20 0 GHADLP FC(F)(F)Oc1ccc(Br)cc1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001231921104 1034991752 /nfs/dbraw/zinc/99/17/52/1034991752.db2.gz AIIPKBPKDFVPLJ-UHFFFAOYSA-N 2 2 390.203 3.603 20 0 GHADLP FC(F)(F)Oc1ccc(Br)cc1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001231921104 1034991754 /nfs/dbraw/zinc/99/17/54/1034991754.db2.gz AIIPKBPKDFVPLJ-UHFFFAOYSA-N 2 2 390.203 3.603 20 0 GHADLP CC[C@H](CCC(=O)OC)C[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001208780977 1035017802 /nfs/dbraw/zinc/01/78/02/1035017802.db2.gz DFPUMSKNBORFTJ-GOSISDBHSA-N 2 2 399.535 3.644 20 0 GHADLP CC[C@H](CCC(=O)OC)C[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001208780977 1035017813 /nfs/dbraw/zinc/01/78/13/1035017813.db2.gz DFPUMSKNBORFTJ-GOSISDBHSA-N 2 2 399.535 3.644 20 0 GHADLP CC[C@H](CCC(=O)OC)C[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001208780977 1035017821 /nfs/dbraw/zinc/01/78/21/1035017821.db2.gz DFPUMSKNBORFTJ-GOSISDBHSA-N 2 2 399.535 3.644 20 0 GHADLP CC[C@H](CCC(=O)OC)C[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001208780977 1035017829 /nfs/dbraw/zinc/01/78/29/1035017829.db2.gz DFPUMSKNBORFTJ-GOSISDBHSA-N 2 2 399.535 3.644 20 0 GHADLP c1ccc(COCCCCC[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208811638 1035033927 /nfs/dbraw/zinc/03/39/27/1035033927.db2.gz OLHSUCXCKLRRKH-ZEQRLZLVSA-N 2 2 379.548 3.832 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)C2)cc1 ZINC001208935660 1035102302 /nfs/dbraw/zinc/10/23/02/1035102302.db2.gz KXACGNZGOCLATB-DSNGMDLFSA-N 2 2 390.575 3.642 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)C2)cc1 ZINC001208935660 1035102305 /nfs/dbraw/zinc/10/23/05/1035102305.db2.gz KXACGNZGOCLATB-DSNGMDLFSA-N 2 2 390.575 3.642 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)C2)cc1 ZINC001208935660 1035102310 /nfs/dbraw/zinc/10/23/10/1035102310.db2.gz KXACGNZGOCLATB-DSNGMDLFSA-N 2 2 390.575 3.642 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)C2)cc1 ZINC001208935660 1035102312 /nfs/dbraw/zinc/10/23/12/1035102312.db2.gz KXACGNZGOCLATB-DSNGMDLFSA-N 2 2 390.575 3.642 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[NH+](C[C@H]4CC[N@H+](Cc5ccccc5)C4)C[C@H]3C2)c1 ZINC001208943890 1035113395 /nfs/dbraw/zinc/11/33/95/1035113395.db2.gz WFNMEPNXTONERI-FDFHNCONSA-N 3 2 381.589 3.634 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[NH+](C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)c1 ZINC001208943890 1035113399 /nfs/dbraw/zinc/11/33/99/1035113399.db2.gz WFNMEPNXTONERI-FDFHNCONSA-N 3 2 381.589 3.634 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[N@H+](C[C@H]4CC[NH+](Cc5ccccc5)C4)C[C@H]3C2)c1 ZINC001208943890 1035113402 /nfs/dbraw/zinc/11/34/02/1035113402.db2.gz WFNMEPNXTONERI-FDFHNCONSA-N 3 2 381.589 3.634 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](C[C@H]4CC[NH+](Cc5ccccc5)C4)C[C@H]3C2)c1 ZINC001208943890 1035113406 /nfs/dbraw/zinc/11/34/06/1035113406.db2.gz WFNMEPNXTONERI-FDFHNCONSA-N 3 2 381.589 3.634 20 0 GHADLP CC(C)(C)OC(=O)N1CC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CC12CC2 ZINC001208951872 1035124358 /nfs/dbraw/zinc/12/43/58/1035124358.db2.gz FRELPZNEQJEIGH-FQEVSTJZSA-N 2 2 385.552 3.594 20 0 GHADLP CC(C)(C)OC(=O)N1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CC12CC2 ZINC001208951872 1035124362 /nfs/dbraw/zinc/12/43/62/1035124362.db2.gz FRELPZNEQJEIGH-FQEVSTJZSA-N 2 2 385.552 3.594 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC12CC2 ZINC001208951872 1035124365 /nfs/dbraw/zinc/12/43/65/1035124365.db2.gz FRELPZNEQJEIGH-FQEVSTJZSA-N 2 2 385.552 3.594 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC12CC2 ZINC001208951872 1035124373 /nfs/dbraw/zinc/12/43/73/1035124373.db2.gz FRELPZNEQJEIGH-FQEVSTJZSA-N 2 2 385.552 3.594 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCN(c3nsc4ccccc43)CC2)c1 ZINC001232148572 1035126160 /nfs/dbraw/zinc/12/61/60/1035126160.db2.gz QSNRFPMHOJFRQS-UHFFFAOYSA-N 2 2 384.524 3.819 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]2c2ccc(OC(F)(F)F)cc2)cc1 ZINC001161252489 1035193860 /nfs/dbraw/zinc/19/38/60/1035193860.db2.gz LFKJXEUQYXYYIG-ROUUACIJSA-N 2 2 393.409 3.521 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc(N5CCCC5)nc4)C[C@H]3C2)cc1 ZINC001209626708 1035336113 /nfs/dbraw/zinc/33/61/13/1035336113.db2.gz UBZWYRANMFWABI-GOTSBHOMSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc(N5CCCC5)nc4)C[C@H]3C2)cc1 ZINC001209626708 1035336118 /nfs/dbraw/zinc/33/61/18/1035336118.db2.gz UBZWYRANMFWABI-GOTSBHOMSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc(N5CCCC5)nc4)C[C@H]3C2)cc1 ZINC001209626708 1035336123 /nfs/dbraw/zinc/33/61/23/1035336123.db2.gz UBZWYRANMFWABI-GOTSBHOMSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc(N5CCCC5)nc4)C[C@H]3C2)cc1 ZINC001209626708 1035336127 /nfs/dbraw/zinc/33/61/27/1035336127.db2.gz UBZWYRANMFWABI-GOTSBHOMSA-N 2 2 376.548 3.636 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc4[nH]cc(Cl)c43)CC2)C1 ZINC001209659071 1035345663 /nfs/dbraw/zinc/34/56/63/1035345663.db2.gz DXIFEOMNZNZLLX-MRXNPFEDSA-N 2 2 389.927 3.671 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc4[nH]cc(Cl)c43)CC2)C1 ZINC001209659071 1035345666 /nfs/dbraw/zinc/34/56/66/1035345666.db2.gz DXIFEOMNZNZLLX-MRXNPFEDSA-N 2 2 389.927 3.671 20 0 GHADLP [NH3+][C@H](Cc1nc(-c2ccccc2-n2cc[nH+]c2)no1)Cc1ccccc1Cl ZINC001248169960 1035598067 /nfs/dbraw/zinc/59/80/67/1035598067.db2.gz CYBRDNMPKIWDCP-HNNXBMFYSA-N 2 2 379.851 3.688 20 0 GHADLP COc1cc(C[NH+]2CCOCC2)ccc1C1=CC[N@H+](Cc2ccccc2)CC1 ZINC001241507627 1035600580 /nfs/dbraw/zinc/60/05/80/1035600580.db2.gz MEEIDMNCVIASMU-UHFFFAOYSA-N 2 2 378.516 3.817 20 0 GHADLP COc1cc(C[NH+]2CCOCC2)ccc1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241507627 1035600591 /nfs/dbraw/zinc/60/05/91/1035600591.db2.gz MEEIDMNCVIASMU-UHFFFAOYSA-N 2 2 378.516 3.817 20 0 GHADLP Fc1ccc(C2(c3nc(-c4ccc(-n5cc[nH+]c5)cc4)no3)CC[NH2+]CC2)cc1 ZINC001248555218 1035952016 /nfs/dbraw/zinc/95/20/16/1035952016.db2.gz LIQDHUMPOXRLNP-UHFFFAOYSA-N 2 2 389.434 3.731 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(C(=O)N4CCCC4)cc3Cl)c2)C1 ZINC001243486275 1036165873 /nfs/dbraw/zinc/16/58/73/1036165873.db2.gz GTPCIBYHMRRRDP-IBGZPJMESA-N 2 2 383.923 3.776 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(C(=O)N4CCCC4)cc3Cl)c2)C1 ZINC001243486275 1036165888 /nfs/dbraw/zinc/16/58/88/1036165888.db2.gz GTPCIBYHMRRRDP-IBGZPJMESA-N 2 2 383.923 3.776 20 0 GHADLP Cc1nc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)ccc1Cl ZINC001248870122 1036214984 /nfs/dbraw/zinc/21/49/84/1036214984.db2.gz SROVWMVUJFZPDP-UHFFFAOYSA-N 2 2 375.900 3.503 20 0 GHADLP Cc1nc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)ccc1Cl ZINC001248870122 1036214999 /nfs/dbraw/zinc/21/49/99/1036214999.db2.gz SROVWMVUJFZPDP-UHFFFAOYSA-N 2 2 375.900 3.503 20 0 GHADLP Cc1cc(Br)cc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)c1 ZINC001278378376 1036431535 /nfs/dbraw/zinc/43/15/35/1036431535.db2.gz LHFXQQZJTNBZCN-UHFFFAOYSA-N 2 2 394.401 3.607 20 0 GHADLP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1C(F)(F)F ZINC001244597818 1036555864 /nfs/dbraw/zinc/55/58/64/1036555864.db2.gz FZPVEAQCLKADMZ-MRXNPFEDSA-N 2 2 378.394 3.692 20 0 GHADLP COC(=O)c1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1C(F)(F)F ZINC001244597818 1036555887 /nfs/dbraw/zinc/55/58/87/1036555887.db2.gz FZPVEAQCLKADMZ-MRXNPFEDSA-N 2 2 378.394 3.692 20 0 GHADLP CCCC[C@@H](CC)COC[C@@H](O)C[NH2+]C1(c2cccc(F)c2)CC[NH2+]CC1 ZINC001246004405 1037125308 /nfs/dbraw/zinc/12/53/08/1037125308.db2.gz FWPDQPOJIGYNJD-NQIIRXRSSA-N 2 2 380.548 3.588 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001246192008 1037231714 /nfs/dbraw/zinc/23/17/14/1037231714.db2.gz XTCVZSKFUDSQBU-YFJHUXEUSA-N 3 2 377.576 3.992 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246192008 1037231727 /nfs/dbraw/zinc/23/17/27/1037231727.db2.gz XTCVZSKFUDSQBU-YFJHUXEUSA-N 3 2 377.576 3.992 20 0 GHADLP Fc1ccc(CC2([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC[NH2+]CC2)cc1 ZINC001246388507 1037348881 /nfs/dbraw/zinc/34/88/81/1037348881.db2.gz DZLWXMIVPMZIOX-UHFFFAOYSA-N 3 2 395.566 3.787 20 0 GHADLP O=C1C[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CN1Cc1ccccc1Cl ZINC001246497489 1037441862 /nfs/dbraw/zinc/44/18/62/1037441862.db2.gz MTYJOFPRWAODQU-SVFBPWRDSA-N 2 2 383.923 3.524 20 0 GHADLP COC(=O)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC001246527740 1037461927 /nfs/dbraw/zinc/46/19/27/1037461927.db2.gz VBPZHIFJFQLAPP-APWZRJJASA-N 2 2 393.314 3.927 20 0 GHADLP c1ccc(C[NH+](Cc2ccccc2)C2CCC([NH+]3CC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246611248 1037503830 /nfs/dbraw/zinc/50/38/30/1037503830.db2.gz BMZQYNMMTAHPDQ-UHFFFAOYSA-N 3 2 375.560 3.905 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)cc1 ZINC001246684685 1037549298 /nfs/dbraw/zinc/54/92/98/1037549298.db2.gz NFWTXGNAGBGCAF-FTJBHMTQSA-N 3 2 389.587 3.773 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)cc1 ZINC001246684685 1037549312 /nfs/dbraw/zinc/54/93/12/1037549312.db2.gz NFWTXGNAGBGCAF-FTJBHMTQSA-N 3 2 389.587 3.773 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246704031 1037558113 /nfs/dbraw/zinc/55/81/13/1037558113.db2.gz UBYUZYBAIGURSX-ACDBMABISA-N 3 2 391.625 3.724 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246704031 1037558119 /nfs/dbraw/zinc/55/81/19/1037558119.db2.gz UBYUZYBAIGURSX-ACDBMABISA-N 3 2 391.625 3.724 20 0 GHADLP Cc1cccc(N2CCC[C@]3(C2)C[N@@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)CCO3)c1 ZINC001246715482 1037568164 /nfs/dbraw/zinc/56/81/64/1037568164.db2.gz BUQZZCSQTRXDKV-GPXNEJASSA-N 2 2 385.596 3.833 20 0 GHADLP Cc1cccc(N2CCC[C@]3(C2)C[N@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)CCO3)c1 ZINC001246715482 1037568173 /nfs/dbraw/zinc/56/81/73/1037568173.db2.gz BUQZZCSQTRXDKV-GPXNEJASSA-N 2 2 385.596 3.833 20 0 GHADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)CC[NH2+]1 ZINC001246723947 1037574487 /nfs/dbraw/zinc/57/44/87/1037574487.db2.gz ZHGBQPHIUZLJQJ-NHTMILBNSA-N 2 2 385.596 3.977 20 0 GHADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)CC[NH2+]1 ZINC001246723947 1037574500 /nfs/dbraw/zinc/57/45/00/1037574500.db2.gz ZHGBQPHIUZLJQJ-NHTMILBNSA-N 2 2 385.596 3.977 20 0 GHADLP Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CC[NH+]([C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246763036 1037606728 /nfs/dbraw/zinc/60/67/28/1037606728.db2.gz AZLXCMUQJDDREO-RTBURBONSA-N 2 2 393.531 3.723 20 0 GHADLP COc1ccc(Cl)cc1N1CC[NH+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246833705 1037662429 /nfs/dbraw/zinc/66/24/29/1037662429.db2.gz ICJVUOZHJOQXFU-LEWJYISDSA-N 2 2 399.966 3.834 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC001246914683 1037720741 /nfs/dbraw/zinc/72/07/41/1037720741.db2.gz ZWBZUAMGAJMIBF-SWXWDQRWSA-N 3 2 393.550 3.991 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC001246914683 1037720761 /nfs/dbraw/zinc/72/07/61/1037720761.db2.gz ZWBZUAMGAJMIBF-SWXWDQRWSA-N 3 2 393.550 3.991 20 0 GHADLP O=C1C[C@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC001246941340 1037748666 /nfs/dbraw/zinc/74/86/66/1037748666.db2.gz ZRZILYQASMYOEZ-PKTZIBPZSA-N 2 2 395.522 3.571 20 0 GHADLP O=C1C[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC001246941340 1037748675 /nfs/dbraw/zinc/74/86/75/1037748675.db2.gz ZRZILYQASMYOEZ-PKTZIBPZSA-N 2 2 395.522 3.571 20 0 GHADLP Brc1ccc2c(c1)C[C@H]([N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1)C2 ZINC001246949878 1037751942 /nfs/dbraw/zinc/75/19/42/1037751942.db2.gz RFBMAQMOKRRHJX-WOJBJXKFSA-N 2 2 386.337 3.566 20 0 GHADLP Brc1ccc2c(c1)C[C@H]([N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1)C2 ZINC001246949878 1037751961 /nfs/dbraw/zinc/75/19/61/1037751961.db2.gz RFBMAQMOKRRHJX-WOJBJXKFSA-N 2 2 386.337 3.566 20 0 GHADLP Cc1cc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)ncn1 ZINC001246961799 1037782043 /nfs/dbraw/zinc/78/20/43/1037782043.db2.gz AVIMYPHBQHIRGK-QKNQBKEWSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1cc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)ncn1 ZINC001246961799 1037782066 /nfs/dbraw/zinc/78/20/66/1037782066.db2.gz AVIMYPHBQHIRGK-QKNQBKEWSA-N 2 2 384.499 3.569 20 0 GHADLP CCOC(=O)[C@H]1c2ccc(Cl)cc2CC[N@@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001247003967 1037829309 /nfs/dbraw/zinc/82/93/09/1037829309.db2.gz NLNKDSJOBJYCKZ-MOMVYJMYSA-N 2 2 376.928 3.725 20 0 GHADLP CCOC(=O)[C@H]1c2ccc(Cl)cc2CC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001247003967 1037829328 /nfs/dbraw/zinc/82/93/28/1037829328.db2.gz NLNKDSJOBJYCKZ-MOMVYJMYSA-N 2 2 376.928 3.725 20 0 GHADLP Clc1cc(-c2noc([C@@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)cc2ccoc21 ZINC001247125902 1037936380 /nfs/dbraw/zinc/93/63/80/1037936380.db2.gz JQQWHZBWBZZFQT-AWEZNQCLSA-N 2 2 395.850 3.751 20 0 GHADLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@H+](Cc3cc(Cl)cs3)CC2)C1=O ZINC001277677114 1038290879 /nfs/dbraw/zinc/29/08/79/1038290879.db2.gz VYRRGRNVFNZVDO-LJQANCHMSA-N 2 2 392.956 3.540 20 0 GHADLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)cs3)CC2)C1=O ZINC001277677114 1038290887 /nfs/dbraw/zinc/29/08/87/1038290887.db2.gz VYRRGRNVFNZVDO-LJQANCHMSA-N 2 2 392.956 3.540 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cccnc2NC(=O)OC(C)(C)C)C1 ZINC001232543943 1038311233 /nfs/dbraw/zinc/31/12/33/1038311233.db2.gz BYEKKQONMCOZCL-KRWDZBQOSA-N 2 2 384.480 3.785 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cccnc2NC(=O)OC(C)(C)C)C1 ZINC001232543943 1038311249 /nfs/dbraw/zinc/31/12/49/1038311249.db2.gz BYEKKQONMCOZCL-KRWDZBQOSA-N 2 2 384.480 3.785 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3ccc(C(=O)c4ccccc4)cc3)no2)cc1 ZINC001247697077 1038337659 /nfs/dbraw/zinc/33/76/59/1038337659.db2.gz BCOFEHAQXLDEJT-HXUWFJFHSA-N 2 2 384.439 3.593 20 0 GHADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1ccc3ccsc3c1)CCC2 ZINC001232614780 1038401748 /nfs/dbraw/zinc/40/17/48/1038401748.db2.gz ZBWRILOWFXKYAX-UHFFFAOYSA-N 2 2 396.560 3.706 20 0 GHADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](Cc1ccc3ccsc3c1)CCC2 ZINC001232614780 1038401753 /nfs/dbraw/zinc/40/17/53/1038401753.db2.gz ZBWRILOWFXKYAX-UHFFFAOYSA-N 2 2 396.560 3.706 20 0 GHADLP CC(C)(O)c1ccc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cn1 ZINC001232829041 1038581599 /nfs/dbraw/zinc/58/15/99/1038581599.db2.gz FCMCICDFYVMERV-UHFFFAOYSA-N 2 2 396.922 3.833 20 0 GHADLP FC1CC[NH+](C2CC[NH+](Cc3c[nH]c4cc(Br)ncc34)CC2)CC1 ZINC001232860636 1038612781 /nfs/dbraw/zinc/61/27/81/1038612781.db2.gz BZHORVSMAIZHKD-UHFFFAOYSA-N 2 2 395.320 3.724 20 0 GHADLP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)COc1cccc2ccccc21)c1ccccc1 ZINC001252394693 1038978196 /nfs/dbraw/zinc/97/81/96/1038978196.db2.gz QGYRUYDDXGVIKZ-GGAORHGYSA-N 2 2 378.516 3.862 20 0 GHADLP FC1(F)CC[N@H+](Cc2cccc3c2CCO3)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001233275436 1039045464 /nfs/dbraw/zinc/04/54/64/1039045464.db2.gz AIOZZUWHNBGFSO-QFIPXVFZSA-N 2 2 399.485 3.750 20 0 GHADLP FC1(F)CC[N@@H+](Cc2cccc3c2CCO3)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001233275436 1039045478 /nfs/dbraw/zinc/04/54/78/1039045478.db2.gz AIOZZUWHNBGFSO-QFIPXVFZSA-N 2 2 399.485 3.750 20 0 GHADLP FC1(F)CC[NH+](Cc2cccc3c2CCO3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001233275436 1039045496 /nfs/dbraw/zinc/04/54/96/1039045496.db2.gz AIOZZUWHNBGFSO-QFIPXVFZSA-N 2 2 399.485 3.750 20 0 GHADLP FC1(F)CC[NH+](Cc2cccc3c2CCO3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001233275436 1039045512 /nfs/dbraw/zinc/04/55/12/1039045512.db2.gz AIOZZUWHNBGFSO-QFIPXVFZSA-N 2 2 399.485 3.750 20 0 GHADLP O[C@@H](C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)c1ccc(F)cc1 ZINC001252846069 1039206009 /nfs/dbraw/zinc/20/60/09/1039206009.db2.gz GHLSEQGLBYCOBS-NRFANRHFSA-N 2 2 385.870 3.883 20 0 GHADLP Cc1cc(C[NH+]2CCC([N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)sc1C ZINC001233699755 1039549108 /nfs/dbraw/zinc/54/91/08/1039549108.db2.gz CDIIQDACEQOGAN-QGZVFWFLSA-N 2 2 393.597 3.928 20 0 GHADLP Cc1cc(C[NH+]2CCC([N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)sc1C ZINC001233699755 1039549128 /nfs/dbraw/zinc/54/91/28/1039549128.db2.gz CDIIQDACEQOGAN-QGZVFWFLSA-N 2 2 393.597 3.928 20 0 GHADLP O[C@H](C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccc(F)c(F)c1 ZINC001253360772 1039572568 /nfs/dbraw/zinc/57/25/68/1039572568.db2.gz KUYQLSPNQPIQFQ-PKTZIBPZSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@H](C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccc(F)c(F)c1 ZINC001253360772 1039572585 /nfs/dbraw/zinc/57/25/85/1039572585.db2.gz KUYQLSPNQPIQFQ-PKTZIBPZSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@H](C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(F)c(F)c1 ZINC001253360772 1039572597 /nfs/dbraw/zinc/57/25/97/1039572597.db2.gz KUYQLSPNQPIQFQ-PKTZIBPZSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@H](C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccc(F)c(F)c1 ZINC001253360772 1039572611 /nfs/dbraw/zinc/57/26/11/1039572611.db2.gz KUYQLSPNQPIQFQ-PKTZIBPZSA-N 2 2 386.486 3.986 20 0 GHADLP COc1cc(C[NH+]2CCC(O)(c3ccccc3F)CC2)ccc1-n1cc[nH+]c1 ZINC001234058262 1039792718 /nfs/dbraw/zinc/79/27/18/1039792718.db2.gz JMFNGVFRNRJPEN-UHFFFAOYSA-N 2 2 381.451 3.504 20 0 GHADLP OC1(CNc2ccc[nH+]c2N2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001254030422 1039964306 /nfs/dbraw/zinc/96/43/06/1039964306.db2.gz URQBBIIKWVDKBL-UHFFFAOYSA-N 2 2 380.536 3.511 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001234781047 1040311639 /nfs/dbraw/zinc/31/16/39/1040311639.db2.gz BGJWLZUNPWGHKB-UHFFFAOYSA-N 2 2 382.504 3.578 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001234781047 1040311653 /nfs/dbraw/zinc/31/16/53/1040311653.db2.gz BGJWLZUNPWGHKB-UHFFFAOYSA-N 2 2 382.504 3.578 20 0 GHADLP CCOC(=O)c1cc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c[nH]1 ZINC001234950354 1040455286 /nfs/dbraw/zinc/45/52/86/1040455286.db2.gz NYVPKMMQPFNXDQ-QHCPKHFHSA-N 2 2 381.520 3.680 20 0 GHADLP CCOC(=O)c1cc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c[nH]1 ZINC001234950354 1040455294 /nfs/dbraw/zinc/45/52/94/1040455294.db2.gz NYVPKMMQPFNXDQ-QHCPKHFHSA-N 2 2 381.520 3.680 20 0 GHADLP CCOC(=O)c1cc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c[nH]1 ZINC001234950354 1040455298 /nfs/dbraw/zinc/45/52/98/1040455298.db2.gz NYVPKMMQPFNXDQ-QHCPKHFHSA-N 2 2 381.520 3.680 20 0 GHADLP CCOC(=O)c1cc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c[nH]1 ZINC001234950354 1040455302 /nfs/dbraw/zinc/45/53/02/1040455302.db2.gz NYVPKMMQPFNXDQ-QHCPKHFHSA-N 2 2 381.520 3.680 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1cc(C)c(C)cc1OC)CC2 ZINC001235024002 1040515938 /nfs/dbraw/zinc/51/59/38/1040515938.db2.gz JICTWFGMSAQAGL-UHFFFAOYSA-N 2 2 380.532 3.958 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1cc(C)c(C)cc1OC)CC2 ZINC001235024002 1040515958 /nfs/dbraw/zinc/51/59/58/1040515958.db2.gz JICTWFGMSAQAGL-UHFFFAOYSA-N 2 2 380.532 3.958 20 0 GHADLP FC(F)(F)c1cccc(-n2cc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)CC3)cn2)c1 ZINC001235040445 1040533431 /nfs/dbraw/zinc/53/34/31/1040533431.db2.gz SIBCMHXTTHQJJZ-LJQANCHMSA-N 2 2 378.442 3.999 20 0 GHADLP FC(F)(F)c1cccc(-n2cc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)CC3)cn2)c1 ZINC001235040445 1040533452 /nfs/dbraw/zinc/53/34/52/1040533452.db2.gz SIBCMHXTTHQJJZ-LJQANCHMSA-N 2 2 378.442 3.999 20 0 GHADLP Fc1cc(Br)cnc1C[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235094932 1040585904 /nfs/dbraw/zinc/58/59/04/1040585904.db2.gz RRBBSNZWWJMWFU-UHFFFAOYSA-N 2 2 390.300 3.620 20 0 GHADLP CC(C)(C)c1cc(C[N@@H+]2CCCO[C@]3(C[NH2+]CCOC3)C2)cc(C(C)(C)C)c1 ZINC001235199231 1040688011 /nfs/dbraw/zinc/68/80/11/1040688011.db2.gz HISUZJPYSWWYTF-XMMPIXPASA-N 2 2 388.596 3.863 20 0 GHADLP CC(C)(C)c1cc(C[N@H+]2CCCO[C@]3(C[NH2+]CCOC3)C2)cc(C(C)(C)C)c1 ZINC001235199231 1040688018 /nfs/dbraw/zinc/68/80/18/1040688018.db2.gz HISUZJPYSWWYTF-XMMPIXPASA-N 2 2 388.596 3.863 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1OCc1ccccc1 ZINC001235399750 1040913901 /nfs/dbraw/zinc/91/39/01/1040913901.db2.gz BCCHCHKULRDEIN-DHIUTWEWSA-N 2 2 384.495 3.798 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1OCc1ccccc1 ZINC001235399750 1040913902 /nfs/dbraw/zinc/91/39/02/1040913902.db2.gz BCCHCHKULRDEIN-DHIUTWEWSA-N 2 2 384.495 3.798 20 0 GHADLP CCOC(=O)C1CCC([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001255264223 1040932946 /nfs/dbraw/zinc/93/29/46/1040932946.db2.gz DMGWNHWJMBZTEL-UHFFFAOYSA-N 2 2 376.516 3.844 20 0 GHADLP CCOC(=O)C1CCC([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001255264223 1040932962 /nfs/dbraw/zinc/93/29/62/1040932962.db2.gz DMGWNHWJMBZTEL-UHFFFAOYSA-N 2 2 376.516 3.844 20 0 GHADLP Clc1cnc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)c(Cl)c1 ZINC001278858782 1040948416 /nfs/dbraw/zinc/94/84/16/1040948416.db2.gz DAIYCFJYSHSGQU-MSOLQXFVSA-N 2 2 380.323 3.836 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001255380380 1040971245 /nfs/dbraw/zinc/97/12/45/1040971245.db2.gz RMMWWHRZPMQSIO-PXNSSMCTSA-N 2 2 376.516 3.844 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001255380380 1040971247 /nfs/dbraw/zinc/97/12/47/1040971247.db2.gz RMMWWHRZPMQSIO-PXNSSMCTSA-N 2 2 376.516 3.844 20 0 GHADLP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@@H+]1C1CCC(C(C)(C)C)CC1 ZINC001255502857 1041098018 /nfs/dbraw/zinc/09/80/18/1041098018.db2.gz MWJIFZZBERREDD-HDYDNRTBSA-N 2 2 387.616 3.612 20 0 GHADLP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@H+]1C1CCC(C(C)(C)C)CC1 ZINC001255502857 1041098034 /nfs/dbraw/zinc/09/80/34/1041098034.db2.gz MWJIFZZBERREDD-HDYDNRTBSA-N 2 2 387.616 3.612 20 0 GHADLP C[C@H](CC(F)(F)F)[NH+]1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001255664164 1041200454 /nfs/dbraw/zinc/20/04/54/1041200454.db2.gz OAQOPZFQWSJDTN-CQSZACIVSA-N 2 2 393.494 3.781 20 0 GHADLP Cc1ccc(F)c(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1Br ZINC001235761814 1041251786 /nfs/dbraw/zinc/25/17/86/1041251786.db2.gz OQCXCOKKAWEMBM-UHFFFAOYSA-N 2 2 384.293 3.527 20 0 GHADLP Cc1ccc(SC[C@H](C)[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001255767903 1041284482 /nfs/dbraw/zinc/28/44/82/1041284482.db2.gz SHTIPFJEKZTNMW-IBGZPJMESA-N 2 2 399.608 3.611 20 0 GHADLP Cc1ccc(SC[C@H](C)[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001255767903 1041284492 /nfs/dbraw/zinc/28/44/92/1041284492.db2.gz SHTIPFJEKZTNMW-IBGZPJMESA-N 2 2 399.608 3.611 20 0 GHADLP COCCC[N@H+](Cc1cccc(-c2ccc(C(=O)OC)cc2)c1)[C@@H]1CCC[NH2+]C1 ZINC001235809025 1041320198 /nfs/dbraw/zinc/32/01/98/1041320198.db2.gz IHDKWVJIACPKOR-HSZRJFAPSA-N 2 2 396.531 3.731 20 0 GHADLP COCCC[N@@H+](Cc1cccc(-c2ccc(C(=O)OC)cc2)c1)[C@@H]1CCC[NH2+]C1 ZINC001235809025 1041320214 /nfs/dbraw/zinc/32/02/14/1041320214.db2.gz IHDKWVJIACPKOR-HSZRJFAPSA-N 2 2 396.531 3.731 20 0 GHADLP CC1([NH+]2CCN(Cc3ccc(F)c(OCc4ccccc4)c3)CC2)CC[NH2+]CC1 ZINC001235822647 1041341043 /nfs/dbraw/zinc/34/10/43/1041341043.db2.gz QIZSRPXGYGIOSW-UHFFFAOYSA-N 2 2 397.538 3.664 20 0 GHADLP COc1cccc(OC)c1C[NH+]1CCC(N[C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC001255922173 1041409801 /nfs/dbraw/zinc/40/98/01/1041409801.db2.gz VNTYCSYFLCDGHE-QFIPXVFZSA-N 2 2 397.563 3.561 20 0 GHADLP COCCC[N@H+](Cc1cc(Br)cc(Cl)c1F)C1CC[NH2+]CC1 ZINC001235937852 1041443905 /nfs/dbraw/zinc/44/39/05/1041443905.db2.gz RQWDSUGHVBBPRV-UHFFFAOYSA-N 2 2 393.728 3.832 20 0 GHADLP COCCC[N@@H+](Cc1cc(Br)cc(Cl)c1F)C1CC[NH2+]CC1 ZINC001235937852 1041443918 /nfs/dbraw/zinc/44/39/18/1041443918.db2.gz RQWDSUGHVBBPRV-UHFFFAOYSA-N 2 2 393.728 3.832 20 0 GHADLP CC[N@H+](Cc1ccc(Br)c2ccc(OC)nc12)[C@@H]1CCC[NH2+]C1 ZINC001236009079 1041499690 /nfs/dbraw/zinc/49/96/90/1041499690.db2.gz KVQQVNIZWZGVNV-CQSZACIVSA-N 2 2 378.314 3.580 20 0 GHADLP CC[N@@H+](Cc1ccc(Br)c2ccc(OC)nc12)[C@@H]1CCC[NH2+]C1 ZINC001236009079 1041499702 /nfs/dbraw/zinc/49/97/02/1041499702.db2.gz KVQQVNIZWZGVNV-CQSZACIVSA-N 2 2 378.314 3.580 20 0 GHADLP C[C@H](Cc1cccc(Br)c1)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001256187276 1041631496 /nfs/dbraw/zinc/63/14/96/1041631496.db2.gz NMOMJRVBDTZVEZ-CQSZACIVSA-N 2 2 380.330 3.510 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)c2n1 ZINC001236240374 1041640240 /nfs/dbraw/zinc/64/02/40/1041640240.db2.gz LBNYMKFWHQCDGR-HNNXBMFYSA-N 2 2 390.325 3.722 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)c2n1 ZINC001236240374 1041640243 /nfs/dbraw/zinc/64/02/43/1041640243.db2.gz LBNYMKFWHQCDGR-HNNXBMFYSA-N 2 2 390.325 3.722 20 0 GHADLP Clc1cccc(-c2ccc(OC3CC[NH2+]CC3)cc2)c1C[NH+]1CCOCC1 ZINC001236265393 1041645876 /nfs/dbraw/zinc/64/58/76/1041645876.db2.gz FUMUADVUGLNIQL-UHFFFAOYSA-N 2 2 386.923 3.970 20 0 GHADLP [NH3+]C1CC[NH+](Cc2cccc(-c3cccc(Cl)c3C[NH+]3CCOCC3)c2)CC1 ZINC001236275979 1041652842 /nfs/dbraw/zinc/65/28/42/1041652842.db2.gz GOZKKFZSKALBGN-UHFFFAOYSA-N 3 2 399.966 3.762 20 0 GHADLP CC(C)(C)OC(=O)N1CCC([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)CC1 ZINC001256287431 1041684469 /nfs/dbraw/zinc/68/44/69/1041684469.db2.gz SOTLCBNFVPGOAA-NRFANRHFSA-N 2 2 387.568 3.683 20 0 GHADLP Cn1nc(C(F)(F)F)c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1Cl ZINC001236372282 1041686182 /nfs/dbraw/zinc/68/61/82/1041686182.db2.gz CDCUNZMSMRGDGY-LBPRGKRZSA-N 2 2 378.870 3.837 20 0 GHADLP Cn1nc(C(F)(F)F)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1Cl ZINC001236372282 1041686185 /nfs/dbraw/zinc/68/61/85/1041686185.db2.gz CDCUNZMSMRGDGY-LBPRGKRZSA-N 2 2 378.870 3.837 20 0 GHADLP COc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(Br)n1 ZINC001236376657 1041688931 /nfs/dbraw/zinc/68/89/31/1041688931.db2.gz VEFHRHTXYGLYPO-AWEZNQCLSA-N 2 2 382.346 3.597 20 0 GHADLP COc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(Br)n1 ZINC001236376657 1041688935 /nfs/dbraw/zinc/68/89/35/1041688935.db2.gz VEFHRHTXYGLYPO-AWEZNQCLSA-N 2 2 382.346 3.597 20 0 GHADLP Fc1cccc(C[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C2CC[NH2+]CC2)c1 ZINC001236403456 1041702317 /nfs/dbraw/zinc/70/23/17/1041702317.db2.gz JZKOOVIDJDKVHV-UHFFFAOYSA-N 2 2 376.859 3.962 20 0 GHADLP Fc1cccc(C[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C2CC[NH2+]CC2)c1 ZINC001236403456 1041702325 /nfs/dbraw/zinc/70/23/25/1041702325.db2.gz JZKOOVIDJDKVHV-UHFFFAOYSA-N 2 2 376.859 3.962 20 0 GHADLP COC(=O)c1cccc(C[N@H+](Cc2cnc3ccccc3c2)C2CC[NH2+]CC2)c1 ZINC001236465170 1041727374 /nfs/dbraw/zinc/72/73/74/1041727374.db2.gz OYVWDCRFVSIFAK-UHFFFAOYSA-N 2 2 389.499 3.776 20 0 GHADLP COC(=O)c1cccc(C[N@@H+](Cc2cnc3ccccc3c2)C2CC[NH2+]CC2)c1 ZINC001236465170 1041727381 /nfs/dbraw/zinc/72/73/81/1041727381.db2.gz OYVWDCRFVSIFAK-UHFFFAOYSA-N 2 2 389.499 3.776 20 0 GHADLP COC(=O)c1ccc(C[N@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)cc1F ZINC001236483129 1041735361 /nfs/dbraw/zinc/73/53/61/1041735361.db2.gz NDELUUYUCGJBAU-UHFFFAOYSA-N 2 2 388.458 3.814 20 0 GHADLP COC(=O)c1ccc(C[N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)cc1F ZINC001236483129 1041735364 /nfs/dbraw/zinc/73/53/64/1041735364.db2.gz NDELUUYUCGJBAU-UHFFFAOYSA-N 2 2 388.458 3.814 20 0 GHADLP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236828275 1041919845 /nfs/dbraw/zinc/91/98/45/1041919845.db2.gz HRUBZZPTSFWZOU-PXWWUCIGSA-N 2 2 382.348 3.902 20 0 GHADLP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236828275 1041919847 /nfs/dbraw/zinc/91/98/47/1041919847.db2.gz HRUBZZPTSFWZOU-PXWWUCIGSA-N 2 2 382.348 3.902 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc(F)c4ccoc42)CC3)cn1 ZINC001236895784 1041944212 /nfs/dbraw/zinc/94/42/12/1041944212.db2.gz ZCEBBCDEVJIILE-UHFFFAOYSA-N 2 2 382.483 3.936 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccc(F)c4ccoc42)CC3)cn1 ZINC001236895784 1041944214 /nfs/dbraw/zinc/94/42/14/1041944214.db2.gz ZCEBBCDEVJIILE-UHFFFAOYSA-N 2 2 382.483 3.936 20 0 GHADLP O=C1N(CC2CC2)CC[C@@]12CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236904547 1041948822 /nfs/dbraw/zinc/94/88/22/1041948822.db2.gz UYKNOXRLSNOPGZ-JOCHJYFZSA-N 2 2 398.938 3.750 20 0 GHADLP O=C1N(CC2CC2)CC[C@@]12CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236904547 1041948826 /nfs/dbraw/zinc/94/88/26/1041948826.db2.gz UYKNOXRLSNOPGZ-JOCHJYFZSA-N 2 2 398.938 3.750 20 0 GHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001236914708 1041955475 /nfs/dbraw/zinc/95/54/75/1041955475.db2.gz RJGXAECIQYCOJZ-INIZCTEOSA-N 2 2 390.915 3.967 20 0 GHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001236914708 1041955478 /nfs/dbraw/zinc/95/54/78/1041955478.db2.gz RJGXAECIQYCOJZ-INIZCTEOSA-N 2 2 390.915 3.967 20 0 GHADLP COC[C@H]1COCCC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)CC2 ZINC001236916483 1041956643 /nfs/dbraw/zinc/95/66/43/1041956643.db2.gz DUHYQTSQDYMTEJ-SFHVURJKSA-N 2 2 389.927 3.791 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC2(CC(N3CCCC3)=NO2)CC1 ZINC001236923128 1041960206 /nfs/dbraw/zinc/96/02/06/1041960206.db2.gz RZJYVPNSHJXLCM-UHFFFAOYSA-N 2 2 399.926 3.690 20 0 GHADLP CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236921187 1041960296 /nfs/dbraw/zinc/96/02/96/1041960296.db2.gz GCRVSXAWJVFKTB-OAQYLSRUSA-N 2 2 386.927 3.893 20 0 GHADLP CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236921187 1041960301 /nfs/dbraw/zinc/96/03/01/1041960301.db2.gz GCRVSXAWJVFKTB-OAQYLSRUSA-N 2 2 386.927 3.893 20 0 GHADLP Brc1cccc2nc(C[NH+]3CCC(CC4CC[NH2+]CC4)CC3)cn21 ZINC001236961934 1041970511 /nfs/dbraw/zinc/97/05/11/1041970511.db2.gz QAVOVCXOSJTIGN-UHFFFAOYSA-N 2 2 391.357 3.699 20 0 GHADLP c1cnc(-c2ccc(N3CC[NH+](CCC[NH2+]C4CCCCC4)CC3)cc2)nc1 ZINC001236998916 1041984326 /nfs/dbraw/zinc/98/43/26/1041984326.db2.gz GESWFBXVLQLZNA-UHFFFAOYSA-N 2 2 379.552 3.578 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@@H+]3CCC[C@@](C)(C[NH3+])C3)c2n1 ZINC001237081350 1042026345 /nfs/dbraw/zinc/02/63/45/1042026345.db2.gz LHELQGJNDZVEIV-SFHVURJKSA-N 2 2 378.314 3.567 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@H+]3CCC[C@@](C)(C[NH3+])C3)c2n1 ZINC001237081350 1042026352 /nfs/dbraw/zinc/02/63/52/1042026352.db2.gz LHELQGJNDZVEIV-SFHVURJKSA-N 2 2 378.314 3.567 20 0 GHADLP c1ccc2c(c1)CC[NH2+]C21CC[NH+](Cc2ccc(OC3CCOCC3)cc2)CC1 ZINC001237290036 1042127654 /nfs/dbraw/zinc/12/76/54/1042127654.db2.gz VCFSATAUAIFNOC-UHFFFAOYSA-N 2 2 392.543 3.881 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3c(Cl)[nH]c4cnccc43)C2)C1 ZINC001237452302 1042213604 /nfs/dbraw/zinc/21/36/04/1042213604.db2.gz JMVBHMVAFBZSRF-HXUWFJFHSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3c(Cl)[nH]c4cnccc43)C2)C1 ZINC001237452302 1042213609 /nfs/dbraw/zinc/21/36/09/1042213609.db2.gz JMVBHMVAFBZSRF-HXUWFJFHSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3c(Cl)[nH]c4cnccc43)C2)C1 ZINC001237452302 1042213614 /nfs/dbraw/zinc/21/36/14/1042213614.db2.gz JMVBHMVAFBZSRF-HXUWFJFHSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3c(Cl)[nH]c4cnccc43)C2)C1 ZINC001237452302 1042213618 /nfs/dbraw/zinc/21/36/18/1042213618.db2.gz JMVBHMVAFBZSRF-HXUWFJFHSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3c(Cl)[nH]c4cnccc43)C2)C1 ZINC001237452298 1042213642 /nfs/dbraw/zinc/21/36/42/1042213642.db2.gz JMVBHMVAFBZSRF-FQEVSTJZSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3c(Cl)[nH]c4cnccc43)C2)C1 ZINC001237452298 1042213645 /nfs/dbraw/zinc/21/36/45/1042213645.db2.gz JMVBHMVAFBZSRF-FQEVSTJZSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3c(Cl)[nH]c4cnccc43)C2)C1 ZINC001237452298 1042213650 /nfs/dbraw/zinc/21/36/50/1042213650.db2.gz JMVBHMVAFBZSRF-FQEVSTJZSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3c(Cl)[nH]c4cnccc43)C2)C1 ZINC001237452298 1042213655 /nfs/dbraw/zinc/21/36/55/1042213655.db2.gz JMVBHMVAFBZSRF-FQEVSTJZSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](Cc1ccccc1C1CCOCC1)CC2 ZINC001237895040 1042413466 /nfs/dbraw/zinc/41/34/66/1042413466.db2.gz KJWGAHJUXDOTSV-UHFFFAOYSA-N 2 2 396.579 3.978 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](Cc1ccccc1C1CCOCC1)CC2 ZINC001237895040 1042413469 /nfs/dbraw/zinc/41/34/69/1042413469.db2.gz KJWGAHJUXDOTSV-UHFFFAOYSA-N 2 2 396.579 3.978 20 0 GHADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2c(C)cc(F)cc2Br)CC1 ZINC001238569588 1042643459 /nfs/dbraw/zinc/64/34/59/1042643459.db2.gz SYHKFUHDJHNWIZ-UHFFFAOYSA-N 2 2 378.289 3.922 20 0 GHADLP Cc1cnc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)cc1Br ZINC001278309459 1042912146 /nfs/dbraw/zinc/91/21/46/1042912146.db2.gz VVBQYRTZIPLKOO-UHFFFAOYSA-N 2 2 378.358 3.993 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCCN(Cc3ccncc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256538386 1043483060 /nfs/dbraw/zinc/48/30/60/1043483060.db2.gz SRTMSMCQWOHINA-URXFXBBRSA-N 2 2 378.564 3.642 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCCN(Cc3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538386 1043483071 /nfs/dbraw/zinc/48/30/71/1043483071.db2.gz SRTMSMCQWOHINA-URXFXBBRSA-N 2 2 378.564 3.642 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+]2CCCN(Cc3ccncc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256538386 1043483084 /nfs/dbraw/zinc/48/30/84/1043483084.db2.gz SRTMSMCQWOHINA-URXFXBBRSA-N 2 2 378.564 3.642 20 0 GHADLP C[C@H]1C[C@@H]([N@H+]2CCCN(Cc3ccncc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256538386 1043483094 /nfs/dbraw/zinc/48/30/94/1043483094.db2.gz SRTMSMCQWOHINA-URXFXBBRSA-N 2 2 378.564 3.642 20 0 GHADLP COc1cccc(N2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)c1 ZINC001256539659 1043488233 /nfs/dbraw/zinc/48/82/33/1043488233.db2.gz YATNWFAVRURQKJ-OFNKIYASSA-N 2 2 379.548 3.870 20 0 GHADLP COc1cccc(N2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)c1 ZINC001256539659 1043488239 /nfs/dbraw/zinc/48/82/39/1043488239.db2.gz YATNWFAVRURQKJ-OFNKIYASSA-N 2 2 379.548 3.870 20 0 GHADLP COc1cccc(N2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)c1 ZINC001256539492 1043488593 /nfs/dbraw/zinc/48/85/93/1043488593.db2.gz YATNWFAVRURQKJ-NFBKMPQASA-N 2 2 379.548 3.870 20 0 GHADLP COc1cccc(N2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)c1 ZINC001256539492 1043488603 /nfs/dbraw/zinc/48/86/03/1043488603.db2.gz YATNWFAVRURQKJ-NFBKMPQASA-N 2 2 379.548 3.870 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256542331 1043493168 /nfs/dbraw/zinc/49/31/68/1043493168.db2.gz OLQKSDXMVQXFEI-OWYHZJEWSA-N 2 2 388.449 3.767 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256542331 1043493188 /nfs/dbraw/zinc/49/31/88/1043493188.db2.gz OLQKSDXMVQXFEI-OWYHZJEWSA-N 2 2 388.449 3.767 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)CC[NH+]1Cc1ccccc1 ZINC001256542331 1043493200 /nfs/dbraw/zinc/49/32/00/1043493200.db2.gz OLQKSDXMVQXFEI-OWYHZJEWSA-N 2 2 388.449 3.767 20 0 GHADLP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)CC[NH+]1Cc1ccccc1 ZINC001256542331 1043493215 /nfs/dbraw/zinc/49/32/15/1043493215.db2.gz OLQKSDXMVQXFEI-OWYHZJEWSA-N 2 2 388.449 3.767 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256556147 1043524714 /nfs/dbraw/zinc/52/47/14/1043524714.db2.gz XGQHDQOPRPBTGF-WZONZLPQSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256556147 1043524720 /nfs/dbraw/zinc/52/47/20/1043524720.db2.gz XGQHDQOPRPBTGF-WZONZLPQSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)C[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256556147 1043524728 /nfs/dbraw/zinc/52/47/28/1043524728.db2.gz XGQHDQOPRPBTGF-WZONZLPQSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)C[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256556147 1043524736 /nfs/dbraw/zinc/52/47/36/1043524736.db2.gz XGQHDQOPRPBTGF-WZONZLPQSA-N 2 2 378.516 3.884 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604065 1043566881 /nfs/dbraw/zinc/56/68/81/1043566881.db2.gz MNEARPZWTYJKBI-HXUWFJFHSA-N 2 2 381.539 3.996 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604065 1043566890 /nfs/dbraw/zinc/56/68/90/1043566890.db2.gz MNEARPZWTYJKBI-HXUWFJFHSA-N 2 2 381.539 3.996 20 0 GHADLP Fc1ccc(F)c(CN2CCC([NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC001256906827 1043732979 /nfs/dbraw/zinc/73/29/79/1043732979.db2.gz DMLBJQIREAFEMU-FQEVSTJZSA-N 2 2 377.523 3.926 20 0 GHADLP Fc1ccc(F)c(CN2CCC([NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001256906827 1043732989 /nfs/dbraw/zinc/73/29/89/1043732989.db2.gz DMLBJQIREAFEMU-FQEVSTJZSA-N 2 2 377.523 3.926 20 0 GHADLP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC001256941480 1043764500 /nfs/dbraw/zinc/76/45/00/1043764500.db2.gz UCPHABFPGUFNRJ-MOPGFXCFSA-N 2 2 384.524 3.693 20 0 GHADLP C[C@@H]1CC(n2c[nH+]cc2C[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)C[C@@H](C)O1 ZINC001257080039 1043833452 /nfs/dbraw/zinc/83/34/52/1043833452.db2.gz JSXAXLJFYKCXIT-MCFFVMPBSA-N 2 2 392.503 3.673 20 0 GHADLP CC(C)[NH+]1CCC([NH2+]Cc2cncn2Cc2cccc(Br)c2)CC1 ZINC001257212599 1043938968 /nfs/dbraw/zinc/93/89/68/1043938968.db2.gz ZPTRBDMBBCUMBT-UHFFFAOYSA-N 2 2 391.357 3.656 20 0 GHADLP CCCCOC(=O)CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001257384917 1043978258 /nfs/dbraw/zinc/97/82/58/1043978258.db2.gz CNRCZAZCEAVBLW-GOSISDBHSA-N 2 2 376.541 3.761 20 0 GHADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c2c1cccc2Cl ZINC001279013952 1043990142 /nfs/dbraw/zinc/99/01/42/1043990142.db2.gz KRSLZDXKGDINPT-ALOPSCKCSA-N 2 2 377.916 3.527 20 0 GHADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2c1cccc2Cl ZINC001279013952 1043990144 /nfs/dbraw/zinc/99/01/44/1043990144.db2.gz KRSLZDXKGDINPT-ALOPSCKCSA-N 2 2 377.916 3.527 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]21 ZINC001257774311 1044164811 /nfs/dbraw/zinc/16/48/11/1044164811.db2.gz QZWHMRTUTDJOEO-LHKABPNQSA-N 2 2 391.600 3.972 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]21 ZINC001257774311 1044164820 /nfs/dbraw/zinc/16/48/20/1044164820.db2.gz QZWHMRTUTDJOEO-LHKABPNQSA-N 2 2 391.600 3.972 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]21 ZINC001257774311 1044164824 /nfs/dbraw/zinc/16/48/24/1044164824.db2.gz QZWHMRTUTDJOEO-LHKABPNQSA-N 2 2 391.600 3.972 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]21 ZINC001257774311 1044164831 /nfs/dbraw/zinc/16/48/31/1044164831.db2.gz QZWHMRTUTDJOEO-LHKABPNQSA-N 2 2 391.600 3.972 20 0 GHADLP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1c(F)cc(Cl)cc1F)CC2 ZINC001279063377 1044288236 /nfs/dbraw/zinc/28/82/36/1044288236.db2.gz WODJNWGYLWQEMG-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1c(F)cc(Cl)cc1F)CC2 ZINC001279063377 1044288252 /nfs/dbraw/zinc/28/82/52/1044288252.db2.gz WODJNWGYLWQEMG-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP Cc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC001258138062 1044423845 /nfs/dbraw/zinc/42/38/45/1044423845.db2.gz RRUIFFCOARWPJK-VWLOTQADSA-N 2 2 377.576 3.866 20 0 GHADLP COc1cccc(OC2CC[NH+](C3CC[NH+](CCc4ccccc4)CC3)CC2)n1 ZINC001258148270 1044438944 /nfs/dbraw/zinc/43/89/44/1044438944.db2.gz FAMRAPYUBPBQIG-UHFFFAOYSA-N 2 2 395.547 3.641 20 0 GHADLP C[C@@H](Cc1ccco1)n1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC001258181559 1044457880 /nfs/dbraw/zinc/45/78/80/1044457880.db2.gz DJZUDDINFNGZHA-AOMKIAJQSA-N 2 2 388.471 3.942 20 0 GHADLP CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001258418867 1044552413 /nfs/dbraw/zinc/55/24/13/1044552413.db2.gz IQWCLYDDGAZSKA-ZEQRLZLVSA-N 2 2 397.538 3.674 20 0 GHADLP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001258418867 1044552428 /nfs/dbraw/zinc/55/24/28/1044552428.db2.gz IQWCLYDDGAZSKA-ZEQRLZLVSA-N 2 2 397.538 3.674 20 0 GHADLP COc1cc(C[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1OC ZINC001258861696 1044801995 /nfs/dbraw/zinc/80/19/95/1044801995.db2.gz IBGAEWOGJBYYIU-INIZCTEOSA-N 2 2 381.476 3.619 20 0 GHADLP COc1cc(C[C@H](C)[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc(OC)c1OC ZINC001258875294 1044820569 /nfs/dbraw/zinc/82/05/69/1044820569.db2.gz ALXMIPVTXZTTOF-KRWDZBQOSA-N 2 2 390.568 3.982 20 0 GHADLP COc1cc(C[C@H](C)[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc(OC)c1OC ZINC001258875294 1044820591 /nfs/dbraw/zinc/82/05/91/1044820591.db2.gz ALXMIPVTXZTTOF-KRWDZBQOSA-N 2 2 390.568 3.982 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@@H](C)Cc3ccccc3OC)CC2)cc1 ZINC001258882768 1044833103 /nfs/dbraw/zinc/83/31/03/1044833103.db2.gz BWIQMYWKTUAIEV-SFHVURJKSA-N 2 2 396.531 3.667 20 0 GHADLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](Cc1ccccc1Br)C(=O)OC ZINC001258907511 1044860912 /nfs/dbraw/zinc/86/09/12/1044860912.db2.gz RXFNFWJGXBBSAZ-YJBOKZPZSA-N 2 2 399.373 3.633 20 0 GHADLP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001300921149 1046243513 /nfs/dbraw/zinc/24/35/13/1046243513.db2.gz ORYAVQIBGPXFMF-YADHBBJMSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001300921149 1046243520 /nfs/dbraw/zinc/24/35/20/1046243520.db2.gz ORYAVQIBGPXFMF-YADHBBJMSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001300921149 1046243529 /nfs/dbraw/zinc/24/35/29/1046243529.db2.gz ORYAVQIBGPXFMF-YADHBBJMSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001300921149 1046243535 /nfs/dbraw/zinc/24/35/35/1046243535.db2.gz ORYAVQIBGPXFMF-YADHBBJMSA-N 2 2 387.543 3.703 20 0 GHADLP CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCCC[N@@H+]3Cc3ccccc3)n2C)CC1 ZINC001262885609 1046401524 /nfs/dbraw/zinc/40/15/24/1046401524.db2.gz ZBRPEQWXEYTQTJ-OAQYLSRUSA-N 2 2 396.583 3.509 20 0 GHADLP CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCCC[N@H+]3Cc3ccccc3)n2C)CC1 ZINC001262885609 1046401527 /nfs/dbraw/zinc/40/15/27/1046401527.db2.gz ZBRPEQWXEYTQTJ-OAQYLSRUSA-N 2 2 396.583 3.509 20 0 GHADLP CC(C)c1csc([C@H]2CCC[N@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)C2)n1 ZINC000607755547 1047359451 /nfs/dbraw/zinc/35/94/51/1047359451.db2.gz RQDYICVLXMHKEP-PMACEKPBSA-N 2 2 387.593 3.939 20 0 GHADLP CC(C)c1csc([C@H]2CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)C2)n1 ZINC000607755547 1047359459 /nfs/dbraw/zinc/35/94/59/1047359459.db2.gz RQDYICVLXMHKEP-PMACEKPBSA-N 2 2 387.593 3.939 20 0 GHADLP CC(C)c1csc([C@H]2CCC[NH+](C[C@@H](O)C[N@H+](C)Cc3ccccc3)C2)n1 ZINC000607755547 1047359467 /nfs/dbraw/zinc/35/94/67/1047359467.db2.gz RQDYICVLXMHKEP-PMACEKPBSA-N 2 2 387.593 3.939 20 0 GHADLP CC(C)c1csc([C@H]2CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc3ccccc3)C2)n1 ZINC000607755547 1047359477 /nfs/dbraw/zinc/35/94/77/1047359477.db2.gz RQDYICVLXMHKEP-PMACEKPBSA-N 2 2 387.593 3.939 20 0 GHADLP COc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c(F)cc1Cl ZINC001279298357 1047759140 /nfs/dbraw/zinc/75/91/40/1047759140.db2.gz VYJMZOHISGYPTI-UXHICEINSA-N 2 2 383.939 3.574 20 0 GHADLP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3c(F)ccc(Cl)c3F)CC2)C1 ZINC001279429278 1047803206 /nfs/dbraw/zinc/80/32/06/1047803206.db2.gz XIRSZAIZZPASKB-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3c(F)ccc(Cl)c3F)CC2)C1 ZINC001279429278 1047803211 /nfs/dbraw/zinc/80/32/11/1047803211.db2.gz XIRSZAIZZPASKB-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1c(F)ccc(C)c1Cl)CC2 ZINC001279445064 1047810366 /nfs/dbraw/zinc/81/03/66/1047810366.db2.gz HECLAMBFJFHHTH-UHFFFAOYSA-N 2 2 384.923 3.696 20 0 GHADLP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1c(F)ccc(C)c1Cl)CC2 ZINC001279445064 1047810371 /nfs/dbraw/zinc/81/03/71/1047810371.db2.gz HECLAMBFJFHHTH-UHFFFAOYSA-N 2 2 384.923 3.696 20 0 GHADLP COc1c(Cl)ccc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c1F ZINC001279612617 1047869644 /nfs/dbraw/zinc/86/96/44/1047869644.db2.gz TUOFSNFEVRLBPC-UXHICEINSA-N 2 2 383.939 3.574 20 0 GHADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccsc3I)(C1)CCC2 ZINC001279706405 1047925508 /nfs/dbraw/zinc/92/55/08/1047925508.db2.gz QOEWAMDHWXZANM-UONOGXRCSA-N 2 2 376.307 3.507 20 0 GHADLP CC(C)c1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c(Cl)n1 ZINC001280185461 1048120523 /nfs/dbraw/zinc/12/05/23/1048120523.db2.gz SDNHQUJHNJPYFC-RTWAWAEBSA-N 2 2 378.992 3.945 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)[C@@H]3C2)cc1 ZINC000643480378 1048232746 /nfs/dbraw/zinc/23/27/46/1048232746.db2.gz DBSFKAIKTPJATR-VCDBXAJLSA-N 3 2 375.560 3.980 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)[C@@H]3C2)cc1 ZINC000643480378 1048232752 /nfs/dbraw/zinc/23/27/52/1048232752.db2.gz DBSFKAIKTPJATR-VCDBXAJLSA-N 3 2 375.560 3.980 20 0 GHADLP Oc1ccc2c(c1)CC[N@@H+](CCC[NH+]1CCN(c3ccc(Cl)cc3)CC1)CC2 ZINC001307532486 1049377458 /nfs/dbraw/zinc/37/74/58/1049377458.db2.gz ZCGGYVDVWVBWAS-UHFFFAOYSA-N 2 2 399.966 3.659 20 0 GHADLP Oc1ccc2c(c1)CC[N@H+](CCC[NH+]1CCN(c3ccc(Cl)cc3)CC1)CC2 ZINC001307532486 1049377470 /nfs/dbraw/zinc/37/74/70/1049377470.db2.gz ZCGGYVDVWVBWAS-UHFFFAOYSA-N 2 2 399.966 3.659 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cccc(Cl)c1Br ZINC001307647132 1049473398 /nfs/dbraw/zinc/47/33/98/1049473398.db2.gz GSUJFAIFBJJABK-UHFFFAOYSA-N 2 2 388.781 3.560 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cccc(Cl)c1Br ZINC001307647132 1049473402 /nfs/dbraw/zinc/47/34/02/1049473402.db2.gz GSUJFAIFBJJABK-UHFFFAOYSA-N 2 2 388.781 3.560 20 0 GHADLP Brc1ccccc1CCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001307762598 1049575643 /nfs/dbraw/zinc/57/56/43/1049575643.db2.gz IAFOJJTWYSOPRV-GOSISDBHSA-N 2 2 381.358 3.568 20 0 GHADLP Brc1ccccc1CCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001307762598 1049575649 /nfs/dbraw/zinc/57/56/49/1049575649.db2.gz IAFOJJTWYSOPRV-GOSISDBHSA-N 2 2 381.358 3.568 20 0 GHADLP Cc1ccccc1SC[C@H](C)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001308040457 1049791985 /nfs/dbraw/zinc/79/19/85/1049791985.db2.gz PUAYQAIFYLIEFS-GOSISDBHSA-N 2 2 389.609 3.529 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(F)c1 ZINC001308282973 1049936946 /nfs/dbraw/zinc/93/69/46/1049936946.db2.gz PPVYQCUBVJDMLW-VQIMIIECSA-N 2 2 376.497 3.847 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(F)c1 ZINC001308282973 1049936947 /nfs/dbraw/zinc/93/69/47/1049936947.db2.gz PPVYQCUBVJDMLW-VQIMIIECSA-N 2 2 376.497 3.847 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OCC[NH+]3CCOCC3)cc1)CCC2 ZINC001308336107 1049951693 /nfs/dbraw/zinc/95/16/93/1049951693.db2.gz FCSBYHMYDBAGPG-DEOSSOPVSA-N 2 2 396.531 3.573 20 0 GHADLP C[C@@H](O)[C@@H]([NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1ccccc1 ZINC001308478955 1049985098 /nfs/dbraw/zinc/98/50/98/1049985098.db2.gz WYIDXQKCDHYDGY-IIBYNOLFSA-N 2 2 385.895 3.827 20 0 GHADLP COC(=O)[C@@]1(F)CC[N@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001308575646 1050016310 /nfs/dbraw/zinc/01/63/10/1050016310.db2.gz BVPUAEDIULRTBH-FCHUYYIVSA-N 2 2 376.516 3.512 20 0 GHADLP COC(=O)[C@@]1(F)CC[N@@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001308575646 1050016314 /nfs/dbraw/zinc/01/63/14/1050016314.db2.gz BVPUAEDIULRTBH-FCHUYYIVSA-N 2 2 376.516 3.512 20 0 GHADLP COC(=O)[C@@]1(F)CC[NH+](C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001308575646 1050016320 /nfs/dbraw/zinc/01/63/20/1050016320.db2.gz BVPUAEDIULRTBH-FCHUYYIVSA-N 2 2 376.516 3.512 20 0 GHADLP COC(=O)[C@@]1(F)CC[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001308575646 1050016326 /nfs/dbraw/zinc/01/63/26/1050016326.db2.gz BVPUAEDIULRTBH-FCHUYYIVSA-N 2 2 376.516 3.512 20 0 GHADLP CCOC(=O)[C@]12CCC[C@@H]1C[C@@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C2 ZINC001308710975 1050067917 /nfs/dbraw/zinc/06/79/17/1050067917.db2.gz ZEAPWTQMELDOII-SVPADUAOSA-N 2 2 384.564 3.999 20 0 GHADLP CCOC(=O)[C@]12CCC[C@@H]1C[C@@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C2 ZINC001308710975 1050067922 /nfs/dbraw/zinc/06/79/22/1050067922.db2.gz ZEAPWTQMELDOII-SVPADUAOSA-N 2 2 384.564 3.999 20 0 GHADLP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001328194842 1050433467 /nfs/dbraw/zinc/43/34/67/1050433467.db2.gz GKNFZDDJMTXTLJ-JOCHJYFZSA-N 2 2 398.595 3.741 20 0 GHADLP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001328194842 1050433472 /nfs/dbraw/zinc/43/34/72/1050433472.db2.gz GKNFZDDJMTXTLJ-JOCHJYFZSA-N 2 2 398.595 3.741 20 0 GHADLP CCn1c(=S)n(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)nc1-c1cccs1 ZINC001336267370 1052248727 /nfs/dbraw/zinc/24/87/27/1052248727.db2.gz HITDOZYORZKCEY-JYJNAYRXSA-N 2 2 391.610 3.782 20 0 GHADLP CCn1c(=S)n(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)nc1-c1cccs1 ZINC001336267370 1052248733 /nfs/dbraw/zinc/24/87/33/1052248733.db2.gz HITDOZYORZKCEY-JYJNAYRXSA-N 2 2 391.610 3.782 20 0 GHADLP Cc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)nn1-c1ccccc1Cl ZINC001337293416 1052442016 /nfs/dbraw/zinc/44/20/16/1052442016.db2.gz KZQXVHJIHKPTHS-UHFFFAOYSA-N 2 2 392.850 3.976 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC001312685777 1052837818 /nfs/dbraw/zinc/83/78/18/1052837818.db2.gz KKUZWVKEEAROIA-FKBYEOEOSA-N 2 2 392.632 3.934 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC001312685777 1052837820 /nfs/dbraw/zinc/83/78/20/1052837820.db2.gz KKUZWVKEEAROIA-FKBYEOEOSA-N 2 2 392.632 3.934 20 0 GHADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001313008527 1052932686 /nfs/dbraw/zinc/93/26/86/1052932686.db2.gz SVZYAGCJFAETFP-OALUTQOASA-N 2 2 389.588 3.648 20 0 GHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)CCCO1 ZINC001343057734 1053523050 /nfs/dbraw/zinc/52/30/50/1053523050.db2.gz IXFPEHFNXDSBIC-HNNXBMFYSA-N 2 2 383.558 3.686 20 0 GHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)CCCO1 ZINC001343057734 1053523065 /nfs/dbraw/zinc/52/30/65/1053523065.db2.gz IXFPEHFNXDSBIC-HNNXBMFYSA-N 2 2 383.558 3.686 20 0 GHADLP CC(C)(C)[NH2+]CC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001318228994 1054513316 /nfs/dbraw/zinc/51/33/16/1054513316.db2.gz ZGYKHXXVMXQTMB-QFIPXVFZSA-N 2 2 399.966 3.962 20 0 GHADLP CC(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001344490974 1054517001 /nfs/dbraw/zinc/51/70/01/1054517001.db2.gz XAFAPMCVELDYQQ-LJQANCHMSA-N 2 2 388.604 3.546 20 0 GHADLP CC(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001344490974 1054517007 /nfs/dbraw/zinc/51/70/07/1054517007.db2.gz XAFAPMCVELDYQQ-LJQANCHMSA-N 2 2 388.604 3.546 20 0 GHADLP CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318418877 1054626629 /nfs/dbraw/zinc/62/66/29/1054626629.db2.gz YUGPCGBKCBQODZ-HXUWFJFHSA-N 2 2 383.540 3.752 20 0 GHADLP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318418877 1054626641 /nfs/dbraw/zinc/62/66/41/1054626641.db2.gz YUGPCGBKCBQODZ-HXUWFJFHSA-N 2 2 383.540 3.752 20 0 GHADLP CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318418877 1054626655 /nfs/dbraw/zinc/62/66/55/1054626655.db2.gz YUGPCGBKCBQODZ-HXUWFJFHSA-N 2 2 383.540 3.752 20 0 GHADLP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318418877 1054626665 /nfs/dbraw/zinc/62/66/65/1054626665.db2.gz YUGPCGBKCBQODZ-HXUWFJFHSA-N 2 2 383.540 3.752 20 0 GHADLP C[C@H](C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1)n1cc[nH+]c1 ZINC001319091463 1055031919 /nfs/dbraw/zinc/03/19/19/1055031919.db2.gz YQFQDUVSTBERPG-HXUWFJFHSA-N 2 2 376.504 3.605 20 0 GHADLP C[C@H](C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1)n1cc[nH+]c1 ZINC001319091463 1055031934 /nfs/dbraw/zinc/03/19/34/1055031934.db2.gz YQFQDUVSTBERPG-HXUWFJFHSA-N 2 2 376.504 3.605 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)N[C@H](c2ccccc2)C2CC2)[nH+]1 ZINC001319385022 1055217833 /nfs/dbraw/zinc/21/78/33/1055217833.db2.gz MGXWZUPFDUMZSX-NFBKMPQASA-N 2 2 378.520 3.534 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)N[C@H](c2ccccc2)C2CC2)[nH+]1 ZINC001319385022 1055217842 /nfs/dbraw/zinc/21/78/42/1055217842.db2.gz MGXWZUPFDUMZSX-NFBKMPQASA-N 2 2 378.520 3.534 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 ZINC001319705676 1055414061 /nfs/dbraw/zinc/41/40/61/1055414061.db2.gz YAQVLMVBSNSRJQ-AABGKKOBSA-N 2 2 389.902 3.643 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 ZINC001319705676 1055414066 /nfs/dbraw/zinc/41/40/66/1055414066.db2.gz YAQVLMVBSNSRJQ-AABGKKOBSA-N 2 2 389.902 3.643 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC(F)F)cc3OC(F)F)CC[C@@H]21 ZINC001319729750 1055428733 /nfs/dbraw/zinc/42/87/33/1055428733.db2.gz ZRESCLNREUTAFQ-DOMZBBRYSA-N 2 2 376.394 3.806 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC(F)F)cc3OC(F)F)CC[C@@H]21 ZINC001319729750 1055428739 /nfs/dbraw/zinc/42/87/39/1055428739.db2.gz ZRESCLNREUTAFQ-DOMZBBRYSA-N 2 2 376.394 3.806 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(OC(F)F)cc3OC(F)F)CC[C@@H]21 ZINC001319729750 1055428751 /nfs/dbraw/zinc/42/87/51/1055428751.db2.gz ZRESCLNREUTAFQ-DOMZBBRYSA-N 2 2 376.394 3.806 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3OC(F)F)CC[C@@H]21 ZINC001319729750 1055428761 /nfs/dbraw/zinc/42/87/61/1055428761.db2.gz ZRESCLNREUTAFQ-DOMZBBRYSA-N 2 2 376.394 3.806 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001320250225 1055723508 /nfs/dbraw/zinc/72/35/08/1055723508.db2.gz WLRWVKZZBMZCLD-INIZCTEOSA-N 2 2 399.495 3.551 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC001321828999 1056411333 /nfs/dbraw/zinc/41/13/33/1056411333.db2.gz IPJNLFBZVODPQT-QGZVFWFLSA-N 2 2 378.561 3.710 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC001321828999 1056411347 /nfs/dbraw/zinc/41/13/47/1056411347.db2.gz IPJNLFBZVODPQT-QGZVFWFLSA-N 2 2 378.561 3.710 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001321832706 1056412694 /nfs/dbraw/zinc/41/26/94/1056412694.db2.gz UALBKKYZIGDBCL-UHFFFAOYSA-N 2 2 399.495 3.551 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC001300613103 1056655068 /nfs/dbraw/zinc/65/50/68/1056655068.db2.gz MAMBELIUQRQTOJ-UHFFFAOYSA-N 2 2 395.956 3.698 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC001300613103 1056655079 /nfs/dbraw/zinc/65/50/79/1056655079.db2.gz MAMBELIUQRQTOJ-UHFFFAOYSA-N 2 2 395.956 3.698 20 0 GHADLP C[NH+]1CCN(c2ccccc2C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC001323784489 1057012728 /nfs/dbraw/zinc/01/27/28/1057012728.db2.gz GHDVCEHMXOCASJ-XMMPIXPASA-N 2 2 390.506 3.852 20 0 GHADLP CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H](C)[NH+](C)Cc3ccccc3)n2C)CC1 ZINC001355485526 1057180120 /nfs/dbraw/zinc/18/01/20/1057180120.db2.gz QUAVRIZLLODXRF-LJQANCHMSA-N 2 2 398.599 3.565 20 0 GHADLP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H](C)[NH+](C)Cc3ccccc3)n2C)CC1 ZINC001355485526 1057180126 /nfs/dbraw/zinc/18/01/26/1057180126.db2.gz QUAVRIZLLODXRF-LJQANCHMSA-N 2 2 398.599 3.565 20 0 GHADLP CC(C)[NH+](C)CC1CCN(c2nnc([C@@H](C)[N@H+](C)Cc3ccccc3)n2C)CC1 ZINC001355485526 1057180130 /nfs/dbraw/zinc/18/01/30/1057180130.db2.gz QUAVRIZLLODXRF-LJQANCHMSA-N 2 2 398.599 3.565 20 0 GHADLP CC(C)[NH+](C)CC1CCN(c2nnc([C@@H](C)[N@@H+](C)Cc3ccccc3)n2C)CC1 ZINC001355485526 1057180132 /nfs/dbraw/zinc/18/01/32/1057180132.db2.gz QUAVRIZLLODXRF-LJQANCHMSA-N 2 2 398.599 3.565 20 0 GHADLP COC(=O)/C=C/c1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000848885217 1057395586 /nfs/dbraw/zinc/39/55/86/1057395586.db2.gz RHRWGWQKHWFABG-WIMDODNTSA-N 2 2 382.504 3.951 20 0 GHADLP COC(=O)/C=C/c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000848885217 1057395593 /nfs/dbraw/zinc/39/55/93/1057395593.db2.gz RHRWGWQKHWFABG-WIMDODNTSA-N 2 2 382.504 3.951 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000848885217 1057395597 /nfs/dbraw/zinc/39/55/97/1057395597.db2.gz RHRWGWQKHWFABG-WIMDODNTSA-N 2 2 382.504 3.951 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000848885217 1057395600 /nfs/dbraw/zinc/39/56/00/1057395600.db2.gz RHRWGWQKHWFABG-WIMDODNTSA-N 2 2 382.504 3.951 20 0 GHADLP CC(=O)CCc1ccc(OCCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001339093245 1058956876 /nfs/dbraw/zinc/95/68/76/1058956876.db2.gz HSSDMADIOSPCKE-UHFFFAOYSA-N 2 2 392.459 3.505 20 0 GHADLP C[NH+](C)[C@H](C(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC001442477337 1058967552 /nfs/dbraw/zinc/96/75/52/1058967552.db2.gz ZVXONSMNRZAKCG-FQEVSTJZSA-N 2 2 377.960 3.667 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(F)c(Br)c1 ZINC001339534036 1059284428 /nfs/dbraw/zinc/28/44/28/1059284428.db2.gz LSEVXFBEIIISJR-UHFFFAOYSA-N 2 2 375.201 3.730 20 0 GHADLP CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001340142682 1059722019 /nfs/dbraw/zinc/72/20/19/1059722019.db2.gz LJDDWODDBOFQMI-CTNGQTDRSA-N 2 2 398.599 3.659 20 0 GHADLP CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001340142682 1059722039 /nfs/dbraw/zinc/72/20/39/1059722039.db2.gz LJDDWODDBOFQMI-CTNGQTDRSA-N 2 2 398.599 3.659 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001447348072 1059952434 /nfs/dbraw/zinc/95/24/34/1059952434.db2.gz ULGGTSBIBWRJAE-PSWRPDDJSA-N 2 2 392.547 3.689 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001447348072 1059952435 /nfs/dbraw/zinc/95/24/35/1059952435.db2.gz ULGGTSBIBWRJAE-PSWRPDDJSA-N 2 2 392.547 3.689 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC001449997580 1060499762 /nfs/dbraw/zinc/49/97/62/1060499762.db2.gz KSQMMEFHFJJAPI-UHFFFAOYSA-N 2 2 388.515 3.586 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC001449997580 1060499782 /nfs/dbraw/zinc/49/97/82/1060499782.db2.gz KSQMMEFHFJJAPI-UHFFFAOYSA-N 2 2 388.515 3.586 20 0 GHADLP CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CC1 ZINC001341466124 1060703383 /nfs/dbraw/zinc/70/33/83/1060703383.db2.gz UUKVVLSWJPVXQE-SFHVURJKSA-N 2 2 389.588 3.648 20 0 GHADLP COc1cc(C[NH+](C)C)ccc1NC(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001451084738 1060735747 /nfs/dbraw/zinc/73/57/47/1060735747.db2.gz ANCSRAHLPVFXTE-UHFFFAOYSA-N 2 2 376.460 3.570 20 0 GHADLP Cc1ccccc1[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC[NH2+]1 ZINC001454457465 1061787593 /nfs/dbraw/zinc/78/75/93/1061787593.db2.gz FUTDRLLAMLEBDL-DHIUTWEWSA-N 2 2 395.522 3.662 20 0 GHADLP Cc1ccccc1[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC[NH2+]1 ZINC001454457465 1061787600 /nfs/dbraw/zinc/78/76/00/1061787600.db2.gz FUTDRLLAMLEBDL-DHIUTWEWSA-N 2 2 395.522 3.662 20 0 GHADLP Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001458873344 1063953059 /nfs/dbraw/zinc/95/30/59/1063953059.db2.gz GKRWLOGXRNKBHY-KEZOAJOQSA-N 2 2 397.607 3.894 20 0 GHADLP Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001458873344 1063953064 /nfs/dbraw/zinc/95/30/64/1063953064.db2.gz GKRWLOGXRNKBHY-KEZOAJOQSA-N 2 2 397.607 3.894 20 0 GHADLP CC(C)[C@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC001350328941 1064057715 /nfs/dbraw/zinc/05/77/15/1064057715.db2.gz YXAYHNZUWOVVBX-PMACEKPBSA-N 2 2 379.976 3.815 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](C[NH+]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC001459767976 1064207599 /nfs/dbraw/zinc/20/75/99/1064207599.db2.gz OLOSCYDPBOMYIC-XMMPIXPASA-N 2 2 394.559 3.784 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC001459767976 1064207604 /nfs/dbraw/zinc/20/76/04/1064207604.db2.gz OLOSCYDPBOMYIC-XMMPIXPASA-N 2 2 394.559 3.784 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC001459767976 1064207608 /nfs/dbraw/zinc/20/76/08/1064207608.db2.gz OLOSCYDPBOMYIC-XMMPIXPASA-N 2 2 394.559 3.784 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](C[N@H+]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC001459767976 1064207612 /nfs/dbraw/zinc/20/76/12/1064207612.db2.gz OLOSCYDPBOMYIC-XMMPIXPASA-N 2 2 394.559 3.784 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001351659631 1064554348 /nfs/dbraw/zinc/55/43/48/1064554348.db2.gz WYGDQWQRCQVISV-GDBMZVCRSA-N 2 2 399.495 3.550 20 0 GHADLP CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001464377063 1064978395 /nfs/dbraw/zinc/97/83/95/1064978395.db2.gz PNZZBLFYDBLWCY-HXUWFJFHSA-N 2 2 391.987 3.885 20 0 GHADLP CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001464377063 1064978400 /nfs/dbraw/zinc/97/84/00/1064978400.db2.gz PNZZBLFYDBLWCY-HXUWFJFHSA-N 2 2 391.987 3.885 20 0 GHADLP CC(C)C[NH+]1CCC(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC001464386801 1064982154 /nfs/dbraw/zinc/98/21/54/1064982154.db2.gz UXPVKXYUSPNGCF-MRXNPFEDSA-N 2 2 378.586 3.682 20 0 GHADLP CC(C)C[NH+]1CCC(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC001464386801 1064982161 /nfs/dbraw/zinc/98/21/61/1064982161.db2.gz UXPVKXYUSPNGCF-MRXNPFEDSA-N 2 2 378.586 3.682 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(C2CCCCC2)c1 ZINC001464876706 1065255110 /nfs/dbraw/zinc/25/51/10/1065255110.db2.gz ADCZGLYUNNEJRM-UHFFFAOYSA-N 2 2 377.598 3.894 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(C2CCCCC2)c1 ZINC001464876706 1065255124 /nfs/dbraw/zinc/25/51/24/1065255124.db2.gz ADCZGLYUNNEJRM-UHFFFAOYSA-N 2 2 377.598 3.894 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)Nc2cccc(CC[NH+](C)C3CC3)c2)cc1 ZINC001466486961 1066169818 /nfs/dbraw/zinc/16/98/18/1066169818.db2.gz WEFAEVDXEQVZMH-QHCPKHFHSA-N 2 2 393.531 3.545 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)Nc2cccc(CC[NH+](C)C3CC3)c2)cc1 ZINC001466486961 1066169819 /nfs/dbraw/zinc/16/98/19/1066169819.db2.gz WEFAEVDXEQVZMH-QHCPKHFHSA-N 2 2 393.531 3.545 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)cc1 ZINC001466486961 1066169820 /nfs/dbraw/zinc/16/98/20/1066169820.db2.gz WEFAEVDXEQVZMH-QHCPKHFHSA-N 2 2 393.531 3.545 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)cc1 ZINC001466486961 1066169821 /nfs/dbraw/zinc/16/98/21/1066169821.db2.gz WEFAEVDXEQVZMH-QHCPKHFHSA-N 2 2 393.531 3.545 20 0 GHADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC001467715799 1067434934 /nfs/dbraw/zinc/43/49/34/1067434934.db2.gz FUDZNTQECFNRRH-NRFANRHFSA-N 2 2 392.563 3.723 20 0 GHADLP O=c1[nH]c2ccccc2n1C1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000149468925 1068282068 /nfs/dbraw/zinc/28/20/68/1068282068.db2.gz ZEUZUUSEPCNVFJ-UHFFFAOYSA-N 2 2 390.531 3.631 20 0 GHADLP CO[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1(C)C ZINC001460134338 1068802353 /nfs/dbraw/zinc/80/23/53/1068802353.db2.gz WCWUSSSQJJFTRS-HXUWFJFHSA-N 2 2 379.976 3.599 20 0 GHADLP CO[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1(C)C ZINC001460134338 1068802376 /nfs/dbraw/zinc/80/23/76/1068802376.db2.gz WCWUSSSQJJFTRS-HXUWFJFHSA-N 2 2 379.976 3.599 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001470781573 1072736414 /nfs/dbraw/zinc/73/64/14/1072736414.db2.gz WWTJOZLNYUNFBA-XXBNENTESA-N 2 2 388.515 3.572 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001470781573 1072736426 /nfs/dbraw/zinc/73/64/26/1072736426.db2.gz WWTJOZLNYUNFBA-XXBNENTESA-N 2 2 388.515 3.572 20 0 GHADLP Cc1[nH]c(CNC(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)c(C)[nH+]1 ZINC001471980590 1073289766 /nfs/dbraw/zinc/28/97/66/1073289766.db2.gz XKIKCNIZHVUUET-NRFANRHFSA-N 2 2 394.494 3.683 20 0 GHADLP O[C@@]1(C[NH+]2CCC(c3cccc(F)c3F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001473583984 1074030887 /nfs/dbraw/zinc/03/08/87/1074030887.db2.gz NTSYQQJFRAKCQO-HSZRJFAPSA-N 2 2 386.486 3.781 20 0 GHADLP O[C@@]1(C[NH+]2CCC(c3cccc(F)c3F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001473583984 1074030892 /nfs/dbraw/zinc/03/08/92/1074030892.db2.gz NTSYQQJFRAKCQO-HSZRJFAPSA-N 2 2 386.486 3.781 20 0 GHADLP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001473586657 1074033601 /nfs/dbraw/zinc/03/36/01/1074033601.db2.gz VGHQNONYLCANPA-CQSZACIVSA-N 2 2 393.318 3.928 20 0 GHADLP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001473586657 1074033612 /nfs/dbraw/zinc/03/36/12/1074033612.db2.gz VGHQNONYLCANPA-CQSZACIVSA-N 2 2 393.318 3.928 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+]3CCCC[C@@H]3C3CCC3)n2)CC1 ZINC001473613501 1074048921 /nfs/dbraw/zinc/04/89/21/1074048921.db2.gz FWVJQZXBDNJQOV-LJQANCHMSA-N 2 2 390.597 3.968 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+]3CCCC[C@@H]3C3CCC3)n2)CC1 ZINC001473613501 1074048928 /nfs/dbraw/zinc/04/89/28/1074048928.db2.gz FWVJQZXBDNJQOV-LJQANCHMSA-N 2 2 390.597 3.968 20 0 GHADLP Cc1ccc2nc(NC(=O)C[NH2+][C@@H](Cn3cc[nH+]c3)c3ccccc3)sc2c1 ZINC001473746245 1074120415 /nfs/dbraw/zinc/12/04/15/1074120415.db2.gz DKXZQDPYMOEPQY-SFHVURJKSA-N 2 2 391.500 3.771 20 0 GHADLP CSc1ccccc1NC(=O)CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001473747677 1074120972 /nfs/dbraw/zinc/12/09/72/1074120972.db2.gz QDYMWIYVHYXGQF-LJQANCHMSA-N 2 2 380.517 3.965 20 0 GHADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC001473808925 1074154566 /nfs/dbraw/zinc/15/45/66/1074154566.db2.gz JQMDCZCTCWICGY-LJQANCHMSA-N 2 2 386.499 3.898 20 0 GHADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC001473808925 1074154569 /nfs/dbraw/zinc/15/45/69/1074154569.db2.gz JQMDCZCTCWICGY-LJQANCHMSA-N 2 2 386.499 3.898 20 0 GHADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001473894705 1074193614 /nfs/dbraw/zinc/19/36/14/1074193614.db2.gz ODKIINPUCALJKP-INIZCTEOSA-N 2 2 380.492 3.565 20 0 GHADLP Cc1ccnc(-c2noc(C[N@@H+]3CCC[C@H](c4c[nH+]cn4C(C)(C)C)C3)n2)c1 ZINC001473898053 1074194997 /nfs/dbraw/zinc/19/49/97/1074194997.db2.gz SBGOWEXJWSAQRZ-INIZCTEOSA-N 2 2 380.496 3.771 20 0 GHADLP Cc1ccnc(-c2noc(C[N@H+]3CCC[C@H](c4c[nH+]cn4C(C)(C)C)C3)n2)c1 ZINC001473898053 1074195000 /nfs/dbraw/zinc/19/50/00/1074195000.db2.gz SBGOWEXJWSAQRZ-INIZCTEOSA-N 2 2 380.496 3.771 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)nn2)C1 ZINC001473897832 1074195051 /nfs/dbraw/zinc/19/50/51/1074195051.db2.gz PFLJSALBIOHLFC-CQSZACIVSA-N 2 2 397.445 3.749 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)nn2)C1 ZINC001473897832 1074195053 /nfs/dbraw/zinc/19/50/53/1074195053.db2.gz PFLJSALBIOHLFC-CQSZACIVSA-N 2 2 397.445 3.749 20 0 GHADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001473976236 1074223201 /nfs/dbraw/zinc/22/32/01/1074223201.db2.gz ICFXBUNQZIMZJB-FQEVSTJZSA-N 2 2 396.560 3.790 20 0 GHADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001474068122 1074253429 /nfs/dbraw/zinc/25/34/29/1074253429.db2.gz QGKZQBJXLGJZRY-DLBZAZTESA-N 2 2 376.850 3.826 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccccc3OC(F)(F)F)[nH+]c2)C1 ZINC001474076333 1074256198 /nfs/dbraw/zinc/25/61/98/1074256198.db2.gz GYXGXLYNMXTLEL-INIZCTEOSA-N 2 2 380.414 3.733 20 0 GHADLP Brc1cccc(-c2c[nH]c(C[NH2+]Cc3ccc4c[nH+]cn4c3)n2)c1 ZINC001474174372 1074284330 /nfs/dbraw/zinc/28/43/30/1074284330.db2.gz QALUNMVSIYEWCG-UHFFFAOYSA-N 2 2 382.265 3.777 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c1C ZINC001474504483 1074436714 /nfs/dbraw/zinc/43/67/14/1074436714.db2.gz GUWHKXUSXASNDV-UHFFFAOYSA-N 2 2 383.536 3.905 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c1C ZINC001474504483 1074436717 /nfs/dbraw/zinc/43/67/17/1074436717.db2.gz GUWHKXUSXASNDV-UHFFFAOYSA-N 2 2 383.536 3.905 20 0 GHADLP CCCOc1c(Br)cc(C[NH2+]CCCn2cc[nH+]c2)cc1OC ZINC000020933034 570288315 /nfs/dbraw/zinc/28/83/15/570288315.db2.gz RYKDMPCWIIQIIB-UHFFFAOYSA-N 2 2 382.302 3.623 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000826284106 607531170 /nfs/dbraw/zinc/53/11/70/607531170.db2.gz KIPKJTXGPNEHMN-UWJYYQICSA-N 2 2 387.491 3.772 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545278 609338233 /nfs/dbraw/zinc/33/82/33/609338233.db2.gz BVPVORLIIMECHJ-JTDSTZFVSA-N 2 2 394.498 3.710 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545278 609338234 /nfs/dbraw/zinc/33/82/34/609338234.db2.gz BVPVORLIIMECHJ-JTDSTZFVSA-N 2 2 394.498 3.710 20 0 GHADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2[nH+]c(C)ccc2OC)CC1 ZINC001165019231 721840770 /nfs/dbraw/zinc/84/07/70/721840770.db2.gz AMOIIIACPDVUFU-UHFFFAOYSA-N 2 2 385.508 3.517 20 0 GHADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164975579 722116643 /nfs/dbraw/zinc/11/66/43/722116643.db2.gz JVJIKOULDLPHSM-GGAORHGYSA-N 2 2 388.515 3.666 20 0 GHADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164975579 722116644 /nfs/dbraw/zinc/11/66/44/722116644.db2.gz JVJIKOULDLPHSM-GGAORHGYSA-N 2 2 388.515 3.666 20 0 GHADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)nn1 ZINC000414389652 837596392 /nfs/dbraw/zinc/59/63/92/837596392.db2.gz GPAYKDIIAXIGAO-LPHOPBHVSA-N 2 2 378.442 3.977 20 0 GHADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)nn1 ZINC000414389652 837596398 /nfs/dbraw/zinc/59/63/98/837596398.db2.gz GPAYKDIIAXIGAO-LPHOPBHVSA-N 2 2 378.442 3.977 20 0 GHADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1OC1CCCC1 ZINC000655692815 837676669 /nfs/dbraw/zinc/67/66/69/837676669.db2.gz VJSQVIXPJNJTKW-XLIONFOSSA-N 2 2 388.552 3.921 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000655689683 837681829 /nfs/dbraw/zinc/68/18/29/837681829.db2.gz JYLSAOTYILIARG-FDDCHVKYSA-N 2 2 393.531 3.843 20 0 GHADLP CCCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1OC ZINC000655700061 837690968 /nfs/dbraw/zinc/69/09/68/837690968.db2.gz CLSDQERSEKOSJJ-YLJYHZDGSA-N 2 2 376.541 3.778 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000655719938 837715516 /nfs/dbraw/zinc/71/55/16/837715516.db2.gz XPXUNGPHVPHZES-CQSZACIVSA-N 2 2 388.313 3.566 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OCc1ccncc1 ZINC000092071717 834665947 /nfs/dbraw/zinc/66/59/47/834665947.db2.gz PKVRJINNVWAGAG-LJQANCHMSA-N 2 2 378.476 3.772 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OCc1ccncc1 ZINC000092071717 834665950 /nfs/dbraw/zinc/66/59/50/834665950.db2.gz PKVRJINNVWAGAG-LJQANCHMSA-N 2 2 378.476 3.772 20 0 GHADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000655742887 837796493 /nfs/dbraw/zinc/79/64/93/837796493.db2.gz BTZTYAHGJJMQFM-UHFFFAOYSA-N 2 2 390.959 3.813 20 0 GHADLP C[C@@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C[NH+]1CCCCC1 ZINC000536082950 834719683 /nfs/dbraw/zinc/71/96/83/834719683.db2.gz ZYVJRZJZZLGTOK-SFHVURJKSA-N 2 2 393.535 3.845 20 0 GHADLP CC1CC[NH+](CCCNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000536081961 834723639 /nfs/dbraw/zinc/72/36/39/834723639.db2.gz GKFBIBVVUBPWEH-UHFFFAOYSA-N 2 2 393.535 3.845 20 0 GHADLP c1ccc(N2Cc3cccc(NC4CC[NH+](C[C@@H]5CCCO5)CC4)c3C2)[nH+]c1 ZINC000655748482 837810082 /nfs/dbraw/zinc/81/00/82/837810082.db2.gz CFADVJVTQBSDKA-FQEVSTJZSA-N 2 2 378.520 3.657 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000448120806 834978657 /nfs/dbraw/zinc/97/86/57/834978657.db2.gz BEBHXZVEDRREPY-ZJSXRUAMSA-N 2 2 393.575 3.878 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000448120806 834978666 /nfs/dbraw/zinc/97/86/66/834978666.db2.gz BEBHXZVEDRREPY-ZJSXRUAMSA-N 2 2 393.575 3.878 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000448120806 834978674 /nfs/dbraw/zinc/97/86/74/834978674.db2.gz BEBHXZVEDRREPY-ZJSXRUAMSA-N 2 2 393.575 3.878 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000448120806 834978681 /nfs/dbraw/zinc/97/86/81/834978681.db2.gz BEBHXZVEDRREPY-ZJSXRUAMSA-N 2 2 393.575 3.878 20 0 GHADLP Fc1cc(Br)cc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)c1 ZINC000655755931 837829879 /nfs/dbraw/zinc/82/98/79/837829879.db2.gz ITSRRWIHWRKNCF-RBUKOAKNSA-N 2 2 397.332 3.882 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H]3CCN(c4ccccc4)C3=O)C2)s1 ZINC000685412388 834991611 /nfs/dbraw/zinc/99/16/11/834991611.db2.gz KGGLERYKYCMISW-WIYYLYMNSA-N 2 2 383.561 3.616 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H]3CCN(c4ccccc4)C3=O)C2)s1 ZINC000685412388 834991617 /nfs/dbraw/zinc/99/16/17/834991617.db2.gz KGGLERYKYCMISW-WIYYLYMNSA-N 2 2 383.561 3.616 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H]3CCN(c4ccccc4)C3=O)C2)s1 ZINC000685412388 834991623 /nfs/dbraw/zinc/99/16/23/834991623.db2.gz KGGLERYKYCMISW-WIYYLYMNSA-N 2 2 383.561 3.616 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H]3CCN(c4ccccc4)C3=O)C2)s1 ZINC000685412388 834991633 /nfs/dbraw/zinc/99/16/33/834991633.db2.gz KGGLERYKYCMISW-WIYYLYMNSA-N 2 2 383.561 3.616 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782844751 837831959 /nfs/dbraw/zinc/83/19/59/837831959.db2.gz FARSGASSEJVXCN-NQIIRXRSSA-N 2 2 397.485 3.622 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782844751 837831972 /nfs/dbraw/zinc/83/19/72/837831972.db2.gz FARSGASSEJVXCN-NQIIRXRSSA-N 2 2 397.485 3.622 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000583884193 835201270 /nfs/dbraw/zinc/20/12/70/835201270.db2.gz FKLMTBLUXFRNBN-RXVVDRJESA-N 2 2 394.563 3.839 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000583884193 835201280 /nfs/dbraw/zinc/20/12/80/835201280.db2.gz FKLMTBLUXFRNBN-RXVVDRJESA-N 2 2 394.563 3.839 20 0 GHADLP C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000584014996 835433960 /nfs/dbraw/zinc/43/39/60/835433960.db2.gz LFRIHFVDHGVILF-OALUTQOASA-N 2 2 380.536 3.742 20 0 GHADLP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295067 835559212 /nfs/dbraw/zinc/55/92/12/835559212.db2.gz RBBUQHSQWOGGLH-KDOFPFPSSA-N 2 2 399.760 3.933 20 0 GHADLP c1ccc(C[N@H+]2C[C@H](C[NH2+]C3CCN(c4cccc[nH+]4)CC3)C3(CCC3)C2)cc1 ZINC000658320427 835572781 /nfs/dbraw/zinc/57/27/81/835572781.db2.gz XQPZEFOYACMPEG-QFIPXVFZSA-N 3 2 390.575 3.942 20 0 GHADLP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C3CCN(c4cccc[nH+]4)CC3)C3(CCC3)C2)cc1 ZINC000658320427 835572787 /nfs/dbraw/zinc/57/27/87/835572787.db2.gz XQPZEFOYACMPEG-QFIPXVFZSA-N 3 2 390.575 3.942 20 0 GHADLP CC(C)Cc1ccc(CCCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000151599219 835583070 /nfs/dbraw/zinc/58/30/70/835583070.db2.gz KMQAOWIOGNGMBC-UHFFFAOYSA-N 2 2 399.623 3.883 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412311779 844068442 /nfs/dbraw/zinc/06/84/42/844068442.db2.gz XJQWSVYSOXZYFB-UHFFFAOYSA-N 2 2 382.552 3.984 20 0 GHADLP CCc1cccc(C)c1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274830770 835669451 /nfs/dbraw/zinc/66/94/51/835669451.db2.gz MFIYLWDNIGXZKH-SIKLNZKXSA-N 2 2 379.548 3.996 20 0 GHADLP CCc1cccc(C)c1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274830770 835669457 /nfs/dbraw/zinc/66/94/57/835669457.db2.gz MFIYLWDNIGXZKH-SIKLNZKXSA-N 2 2 379.548 3.996 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)s1 ZINC000513006711 844089046 /nfs/dbraw/zinc/08/90/46/844089046.db2.gz BULDDWOQVGFEGU-SFHVURJKSA-N 2 2 399.482 3.715 20 0 GHADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ncc(C(F)(F)F)s2)CC1 ZINC000278752949 835967762 /nfs/dbraw/zinc/96/77/62/835967762.db2.gz WOPSLQAVHNEMAP-UHFFFAOYSA-N 2 2 398.498 3.589 20 0 GHADLP Cc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc(OC(F)(F)F)c1 ZINC001143463816 836073288 /nfs/dbraw/zinc/07/32/88/836073288.db2.gz LBHQSTQELMZLIN-QZTJIDSGSA-N 2 2 391.437 3.852 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCc1cccc(Cl)c1 ZINC000548931696 836240698 /nfs/dbraw/zinc/24/06/98/836240698.db2.gz XNFPHUKMFLFKKU-OAQYLSRUSA-N 2 2 399.966 3.847 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCc1cccc(Cl)c1 ZINC000548931696 836240705 /nfs/dbraw/zinc/24/07/05/836240705.db2.gz XNFPHUKMFLFKKU-OAQYLSRUSA-N 2 2 399.966 3.847 20 0 GHADLP CC(C)[C@H](C[NH2+]Cc1ccccc1N1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000236682888 836407480 /nfs/dbraw/zinc/40/74/80/836407480.db2.gz GFJPVPQUUMSFNN-VWLOTQADSA-N 2 2 393.575 3.696 20 0 GHADLP CC(C)[C@H](C[NH2+]Cc1ccccc1N1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000236682888 836407487 /nfs/dbraw/zinc/40/74/87/836407487.db2.gz GFJPVPQUUMSFNN-VWLOTQADSA-N 2 2 393.575 3.696 20 0 GHADLP C[N@H+](CCc1ccccc1)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000613449947 836407776 /nfs/dbraw/zinc/40/77/76/836407776.db2.gz FBFLNDPDKGBBEU-QFIPXVFZSA-N 2 2 399.966 3.768 20 0 GHADLP C[N@@H+](CCc1ccccc1)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000613449947 836407783 /nfs/dbraw/zinc/40/77/83/836407783.db2.gz FBFLNDPDKGBBEU-QFIPXVFZSA-N 2 2 399.966 3.768 20 0 GHADLP CCc1nc(C)c([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)s1 ZINC000155151974 836469806 /nfs/dbraw/zinc/46/98/06/836469806.db2.gz JGFMLCQYRCZWGD-INIZCTEOSA-N 2 2 389.565 3.576 20 0 GHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1O ZINC000432885234 844197271 /nfs/dbraw/zinc/19/72/71/844197271.db2.gz KNJPVURNZCAMGL-DENIHFKCSA-N 2 2 398.547 3.603 20 0 GHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1O ZINC000432885234 844197275 /nfs/dbraw/zinc/19/72/75/844197275.db2.gz KNJPVURNZCAMGL-DENIHFKCSA-N 2 2 398.547 3.603 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1O ZINC000432885240 844197938 /nfs/dbraw/zinc/19/79/38/844197938.db2.gz KNJPVURNZCAMGL-UGKGYDQZSA-N 2 2 398.547 3.603 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1O ZINC000432885240 844197948 /nfs/dbraw/zinc/19/79/48/844197948.db2.gz KNJPVURNZCAMGL-UGKGYDQZSA-N 2 2 398.547 3.603 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1)c1ccccc1 ZINC000510215742 836798727 /nfs/dbraw/zinc/79/87/27/836798727.db2.gz ISFDVXLJROIJBG-QFIPXVFZSA-N 2 2 376.504 3.994 20 0 GHADLP C[C@H]1C[C@@H](NC(=O)NCCCCNc2cccc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000175637283 836935579 /nfs/dbraw/zinc/93/55/79/836935579.db2.gz BAOPVUZELRZMEE-FPOVZHCZSA-N 2 2 395.551 3.626 20 0 GHADLP C[C@H]1C[C@@H](NC(=O)NCCCCNc2cccc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000175637283 836935586 /nfs/dbraw/zinc/93/55/86/836935586.db2.gz BAOPVUZELRZMEE-FPOVZHCZSA-N 2 2 395.551 3.626 20 0 GHADLP CN(C(=O)[C@@H]1CCCC2(CC2)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612958549 837017138 /nfs/dbraw/zinc/01/71/38/837017138.db2.gz CLGFJGGESWIJGD-HMXCVIKNSA-N 2 2 375.601 3.752 20 0 GHADLP CN(C(=O)[C@@H]1CCCC2(CC2)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612958549 837017145 /nfs/dbraw/zinc/01/71/45/837017145.db2.gz CLGFJGGESWIJGD-HMXCVIKNSA-N 2 2 375.601 3.752 20 0 GHADLP CN(C(=O)c1ccc(C2CC2)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612961004 837022545 /nfs/dbraw/zinc/02/25/45/837022545.db2.gz VQWAOSWTLLCJHK-XZOQPEGZSA-N 2 2 383.580 3.973 20 0 GHADLP CN(C(=O)c1ccc(C2CC2)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612961004 837022552 /nfs/dbraw/zinc/02/25/52/837022552.db2.gz VQWAOSWTLLCJHK-XZOQPEGZSA-N 2 2 383.580 3.973 20 0 GHADLP Cc1ccc(-c2nc(C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)co2)cc1 ZINC000579944713 837884470 /nfs/dbraw/zinc/88/44/70/837884470.db2.gz WKSFSBCUTVUVET-NZQKXSOJSA-N 2 2 375.472 3.996 20 0 GHADLP CCCCc1noc([C@@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000177481631 837979678 /nfs/dbraw/zinc/97/96/78/837979678.db2.gz VUSHWBAAUOYXQP-FGTMMUONSA-N 2 2 378.561 3.685 20 0 GHADLP CCCCc1noc([C@@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000177481631 837979682 /nfs/dbraw/zinc/97/96/82/837979682.db2.gz VUSHWBAAUOYXQP-FGTMMUONSA-N 2 2 378.561 3.685 20 0 GHADLP COc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OCc1cccnc1 ZINC000655855992 838075710 /nfs/dbraw/zinc/07/57/10/838075710.db2.gz KGQKHFHSWHFERM-LEWJYISDSA-N 2 2 381.520 3.776 20 0 GHADLP COc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1OCc1cccnc1 ZINC000655855992 838075720 /nfs/dbraw/zinc/07/57/20/838075720.db2.gz KGQKHFHSWHFERM-LEWJYISDSA-N 2 2 381.520 3.776 20 0 GHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cccc(C[NH2+]C)c2)[C@@H](C)C1 ZINC000415930616 838288231 /nfs/dbraw/zinc/28/82/31/838288231.db2.gz KFHWIXJJWCSHCX-SFHVURJKSA-N 2 2 396.535 3.543 20 0 GHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cccc(C[NH2+]C)c2)[C@@H](C)C1 ZINC000415930616 838288241 /nfs/dbraw/zinc/28/82/41/838288241.db2.gz KFHWIXJJWCSHCX-SFHVURJKSA-N 2 2 396.535 3.543 20 0 GHADLP C[NH2+]Cc1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000415979027 838345788 /nfs/dbraw/zinc/34/57/88/838345788.db2.gz CUYGNWSZMMKNDZ-RTWAWAEBSA-N 2 2 375.476 3.653 20 0 GHADLP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000416022485 838420995 /nfs/dbraw/zinc/42/09/95/838420995.db2.gz ZBJRVJMKRAZQOP-RTBURBONSA-N 2 2 390.890 3.765 20 0 GHADLP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000416022485 838421000 /nfs/dbraw/zinc/42/10/00/838421000.db2.gz ZBJRVJMKRAZQOP-RTBURBONSA-N 2 2 390.890 3.765 20 0 GHADLP CCCC1CCC(N(C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000188021323 838480824 /nfs/dbraw/zinc/48/08/24/838480824.db2.gz GQJCQMXUTXDRIW-UHFFFAOYSA-N 2 2 378.605 3.545 20 0 GHADLP CC[C@@](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)(C(=O)OC)c1ccccc1 ZINC000414582435 838644543 /nfs/dbraw/zinc/64/45/43/838644543.db2.gz GUEVBLGZDXRISK-IBGZPJMESA-N 2 2 386.458 3.514 20 0 GHADLP CC(C)[C@H]1N(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC12CCCCC2 ZINC000458131381 844352719 /nfs/dbraw/zinc/35/27/19/844352719.db2.gz QBWROKBIAVYUIK-OAQYLSRUSA-N 2 2 390.616 3.545 20 0 GHADLP COCc1cc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)ccc1OC ZINC000163734640 839474603 /nfs/dbraw/zinc/47/46/03/839474603.db2.gz DSKXBYSDKKLZGB-SFHVURJKSA-N 2 2 384.520 3.525 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@H](O)COc1ccc(-c3ccccc3)cc1)CCC2 ZINC000580642431 839949345 /nfs/dbraw/zinc/94/93/45/839949345.db2.gz WBKOUIRJOVFJMG-YADHBBJMSA-N 2 2 391.515 3.765 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000684072187 840234971 /nfs/dbraw/zinc/23/49/71/840234971.db2.gz KDUZRKBJWRNBJG-UHFFFAOYSA-N 2 2 384.524 3.674 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478219 840486666 /nfs/dbraw/zinc/48/66/66/840486666.db2.gz XUFLVLMQMKGOGI-NKKJXINNSA-N 2 2 391.559 3.570 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478219 840486669 /nfs/dbraw/zinc/48/66/69/840486669.db2.gz XUFLVLMQMKGOGI-NKKJXINNSA-N 2 2 391.559 3.570 20 0 GHADLP Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(C)c1 ZINC000660479805 840630429 /nfs/dbraw/zinc/63/04/29/840630429.db2.gz PAJRXSDZXPSNEJ-NRFANRHFSA-N 2 2 387.568 3.517 20 0 GHADLP Cc1cc(C)c(NC(=O)CCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(C)c1 ZINC000660479805 840630439 /nfs/dbraw/zinc/63/04/39/840630439.db2.gz PAJRXSDZXPSNEJ-NRFANRHFSA-N 2 2 387.568 3.517 20 0 GHADLP COC(=O)c1c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)nc2ccccc2c1-c1ccccc1 ZINC000584720688 840669323 /nfs/dbraw/zinc/66/93/23/840669323.db2.gz MVQALKFMUIWDCJ-VQIMIIECSA-N 2 2 389.499 3.858 20 0 GHADLP COC(=O)c1c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)nc2ccccc2c1-c1ccccc1 ZINC000584720688 840669328 /nfs/dbraw/zinc/66/93/28/840669328.db2.gz MVQALKFMUIWDCJ-VQIMIIECSA-N 2 2 389.499 3.858 20 0 GHADLP COc1cc(OC)c(OC)cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000581163613 840808139 /nfs/dbraw/zinc/80/81/39/840808139.db2.gz LVKSNZUOSRVELD-PZJWPPBQSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(OC)cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000581163613 840808153 /nfs/dbraw/zinc/80/81/53/840808153.db2.gz LVKSNZUOSRVELD-PZJWPPBQSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000581163613 840808166 /nfs/dbraw/zinc/80/81/66/840808166.db2.gz LVKSNZUOSRVELD-PZJWPPBQSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000581163613 840808178 /nfs/dbraw/zinc/80/81/78/840808178.db2.gz LVKSNZUOSRVELD-PZJWPPBQSA-N 2 2 396.531 3.666 20 0 GHADLP CC(C)c1ccc2cc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)[nH]c2c1 ZINC000050799059 840818914 /nfs/dbraw/zinc/81/89/14/840818914.db2.gz IEWVPPTXQVCFFM-UHFFFAOYSA-N 2 2 382.552 3.580 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000581210513 840855196 /nfs/dbraw/zinc/85/51/96/840855196.db2.gz NNYDEMKJIQHBDE-SQJMNOBHSA-N 2 2 393.575 3.662 20 0 GHADLP CC[NH2+]CC1CC[NH+](Cc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000430553851 841044453 /nfs/dbraw/zinc/04/44/53/841044453.db2.gz POXGPVLJTDTAFD-UHFFFAOYSA-N 2 2 386.561 3.649 20 0 GHADLP O=C1Nc2ccccc2S[C@@H]1CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000660245983 841053628 /nfs/dbraw/zinc/05/36/28/841053628.db2.gz XEENRGVVQNXIJX-HXUWFJFHSA-N 2 2 384.549 3.878 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(CCCc3ccccc3)C2=O)C[C@@H]1c1ccccc1 ZINC000581360577 841158858 /nfs/dbraw/zinc/15/88/58/841158858.db2.gz NMOBKDLOYCCYHT-KMDXXIMOSA-N 2 2 391.559 3.645 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(CCCc3ccccc3)C2=O)C[C@@H]1c1ccccc1 ZINC000581360577 841158868 /nfs/dbraw/zinc/15/88/68/841158868.db2.gz NMOBKDLOYCCYHT-KMDXXIMOSA-N 2 2 391.559 3.645 20 0 GHADLP Cc1noc(C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)c2ccccc2)n1 ZINC000277102265 844621611 /nfs/dbraw/zinc/62/16/11/844621611.db2.gz LPTLEAFSSVJIOR-HSZRJFAPSA-N 2 2 390.531 3.959 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000430582056 841251476 /nfs/dbraw/zinc/25/14/76/841251476.db2.gz JFBLZOIPSIBDAJ-SDDRHHMPSA-N 2 2 377.838 3.745 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000430582056 841251482 /nfs/dbraw/zinc/25/14/82/841251482.db2.gz JFBLZOIPSIBDAJ-SDDRHHMPSA-N 2 2 377.838 3.745 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(CCC[NH3+])CC2CCCC2)c(C)c1 ZINC000417932085 841285149 /nfs/dbraw/zinc/28/51/49/841285149.db2.gz MDPHNFIPUCHMSJ-QFIPXVFZSA-N 2 2 397.567 3.792 20 0 GHADLP Cc1cc(N2CCC[C@H]([NH2+]Cc3nc(C(C)C)n4ccccc34)C2)nc(C)[nH+]1 ZINC000651702169 841392328 /nfs/dbraw/zinc/39/23/28/841392328.db2.gz LMJSQGOATGRRKC-SFHVURJKSA-N 2 2 378.524 3.623 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000089543432 881339966 /nfs/dbraw/zinc/33/99/66/881339966.db2.gz REZHEFYTWMYXED-JXFKEZNVSA-N 2 2 375.463 3.726 20 0 GHADLP CC(C)[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000623564667 861210165 /nfs/dbraw/zinc/21/01/65/861210165.db2.gz MWZKPEMANNMBMD-GOTSBHOMSA-N 2 2 398.595 3.729 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000089543432 881339982 /nfs/dbraw/zinc/33/99/82/881339982.db2.gz REZHEFYTWMYXED-JXFKEZNVSA-N 2 2 375.463 3.726 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418365405 841892599 /nfs/dbraw/zinc/89/25/99/841892599.db2.gz XHNDNXQHKRCTPA-FQEVSTJZSA-N 2 2 385.556 3.691 20 0 GHADLP FC(F)Oc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000647172542 841994842 /nfs/dbraw/zinc/99/48/42/841994842.db2.gz ZJTWJOYZELJDKP-CHWSQXEVSA-N 2 2 375.257 3.767 20 0 GHADLP FC(F)Oc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000647172542 841994855 /nfs/dbraw/zinc/99/48/55/841994855.db2.gz ZJTWJOYZELJDKP-CHWSQXEVSA-N 2 2 375.257 3.767 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3c(F)cccc3Br)[nH+]c2)C1 ZINC000474874549 861273893 /nfs/dbraw/zinc/27/38/93/861273893.db2.gz DFGJNOFAHMVYPH-AWEZNQCLSA-N 2 2 393.304 3.736 20 0 GHADLP COc1cc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc(OC)c1OC ZINC000177934240 861287411 /nfs/dbraw/zinc/28/74/11/861287411.db2.gz FQYAXADCOGMUSI-MRXNPFEDSA-N 2 2 381.476 3.808 20 0 GHADLP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000643278668 842304197 /nfs/dbraw/zinc/30/41/97/842304197.db2.gz HGFHOHSGHAKFJU-FGZHOGPDSA-N 2 2 395.551 3.532 20 0 GHADLP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000643278668 842304212 /nfs/dbraw/zinc/30/42/12/842304212.db2.gz HGFHOHSGHAKFJU-FGZHOGPDSA-N 2 2 395.551 3.532 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351171 842344973 /nfs/dbraw/zinc/34/49/73/842344973.db2.gz JEHXGZBBHQRIBI-PEBVRCNWSA-N 2 2 389.849 3.747 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351171 842344978 /nfs/dbraw/zinc/34/49/78/842344978.db2.gz JEHXGZBBHQRIBI-PEBVRCNWSA-N 2 2 389.849 3.747 20 0 GHADLP C[C@H](CC[N@@H+]1CCOC(C2CC2)(C2CC2)C1)[NH+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661995071 842460110 /nfs/dbraw/zinc/46/01/10/842460110.db2.gz BAPLUINDCSIYTP-GOSISDBHSA-N 2 2 388.596 3.547 20 0 GHADLP C[C@H](CC[N@H+]1CCOC(C2CC2)(C2CC2)C1)[NH+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661995071 842460119 /nfs/dbraw/zinc/46/01/19/842460119.db2.gz BAPLUINDCSIYTP-GOSISDBHSA-N 2 2 388.596 3.547 20 0 GHADLP C[C@H](CC[NH+]1CCOC(C2CC2)(C2CC2)C1)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661995071 842460126 /nfs/dbraw/zinc/46/01/26/842460126.db2.gz BAPLUINDCSIYTP-GOSISDBHSA-N 2 2 388.596 3.547 20 0 GHADLP C[C@H](CC[NH+]1CCOC(C2CC2)(C2CC2)C1)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661995071 842460133 /nfs/dbraw/zinc/46/01/33/842460133.db2.gz BAPLUINDCSIYTP-GOSISDBHSA-N 2 2 388.596 3.547 20 0 GHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000512132208 842596262 /nfs/dbraw/zinc/59/62/62/842596262.db2.gz UHABQKSGTKTJQG-DGCLKSJQSA-N 2 2 377.838 3.760 20 0 GHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000512132208 842596263 /nfs/dbraw/zinc/59/62/63/842596263.db2.gz UHABQKSGTKTJQG-DGCLKSJQSA-N 2 2 377.838 3.760 20 0 GHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000512132212 842596500 /nfs/dbraw/zinc/59/65/00/842596500.db2.gz UHABQKSGTKTJQG-YPMHNXCESA-N 2 2 377.838 3.760 20 0 GHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000512132212 842596508 /nfs/dbraw/zinc/59/65/08/842596508.db2.gz UHABQKSGTKTJQG-YPMHNXCESA-N 2 2 377.838 3.760 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156472011 842672847 /nfs/dbraw/zinc/67/28/47/842672847.db2.gz UYBUIPKSTBREPY-ZQIUZPCESA-N 2 2 380.414 3.812 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156472011 842672855 /nfs/dbraw/zinc/67/28/55/842672855.db2.gz UYBUIPKSTBREPY-ZQIUZPCESA-N 2 2 380.414 3.812 20 0 GHADLP OC(C[NH+]1CC[C@H](c2ccccc2F)C1)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000555583972 861338906 /nfs/dbraw/zinc/33/89/06/861338906.db2.gz SLLRYHWUFPQVBD-ROUUACIJSA-N 2 2 386.486 3.605 20 0 GHADLP OC(C[NH+]1CC[C@H](c2ccccc2F)C1)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000555583972 861338916 /nfs/dbraw/zinc/33/89/16/861338916.db2.gz SLLRYHWUFPQVBD-ROUUACIJSA-N 2 2 386.486 3.605 20 0 GHADLP C[NH2+][C@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1cccc(Cl)c1Cl ZINC000662378884 843178305 /nfs/dbraw/zinc/17/83/05/843178305.db2.gz JZDAHOZWNYIHBF-HOCLYGCPSA-N 2 2 386.348 3.735 20 0 GHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512256864 843245116 /nfs/dbraw/zinc/24/51/16/843245116.db2.gz CIGNIMBEMJKHIT-WHLIWEHUSA-N 2 2 383.580 3.762 20 0 GHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512256864 843245123 /nfs/dbraw/zinc/24/51/23/843245123.db2.gz CIGNIMBEMJKHIT-WHLIWEHUSA-N 2 2 383.580 3.762 20 0 GHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512256864 843245135 /nfs/dbraw/zinc/24/51/35/843245135.db2.gz CIGNIMBEMJKHIT-WHLIWEHUSA-N 2 2 383.580 3.762 20 0 GHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512256864 843245142 /nfs/dbraw/zinc/24/51/42/843245142.db2.gz CIGNIMBEMJKHIT-WHLIWEHUSA-N 2 2 383.580 3.762 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662507996 843355937 /nfs/dbraw/zinc/35/59/37/843355937.db2.gz QONSTKIFYKWJKY-ZJOUEHCJSA-N 2 2 387.886 3.575 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662507996 843355941 /nfs/dbraw/zinc/35/59/41/843355941.db2.gz QONSTKIFYKWJKY-ZJOUEHCJSA-N 2 2 387.886 3.575 20 0 GHADLP CC[NH+]1CCN(Cc2ccccc2CNc2[nH+]ccc3c(N)cccc32)CC1 ZINC000663387611 843455411 /nfs/dbraw/zinc/45/54/11/843455411.db2.gz LDOZZSRFOPACON-UHFFFAOYSA-N 2 2 375.520 3.567 20 0 GHADLP Oc1cccc(C[NH+]2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)c1 ZINC001167804666 843480358 /nfs/dbraw/zinc/48/03/58/843480358.db2.gz QAXRAWYXDMRQNT-UHFFFAOYSA-N 2 2 379.548 3.696 20 0 GHADLP Cc1ccc(-c2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)c2)cc1 ZINC000512900063 843951727 /nfs/dbraw/zinc/95/17/27/843951727.db2.gz WHIBKPWXTRGGCQ-CWAQXLGLSA-N 2 2 391.559 3.835 20 0 GHADLP Cc1ccc(-c2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)c2)cc1 ZINC000512900063 843951732 /nfs/dbraw/zinc/95/17/32/843951732.db2.gz WHIBKPWXTRGGCQ-CWAQXLGLSA-N 2 2 391.559 3.835 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[C@H](c2ccccc2)C1 ZINC000512904583 843956287 /nfs/dbraw/zinc/95/62/87/843956287.db2.gz XIQLBJGCFPRHDD-RQZVXSGUSA-N 2 2 383.580 3.632 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[C@H](c2ccccc2)C1 ZINC000512904583 843956290 /nfs/dbraw/zinc/95/62/90/843956290.db2.gz XIQLBJGCFPRHDD-RQZVXSGUSA-N 2 2 383.580 3.632 20 0 GHADLP Cc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000535855294 844802928 /nfs/dbraw/zinc/80/29/28/844802928.db2.gz NFSOTAAIEBPTPO-DHIUTWEWSA-N 2 2 396.579 3.886 20 0 GHADLP Cc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000535855294 844802943 /nfs/dbraw/zinc/80/29/43/844802943.db2.gz NFSOTAAIEBPTPO-DHIUTWEWSA-N 2 2 396.579 3.886 20 0 GHADLP c1cc(C[NH+]2CCCCC2)ccc1CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000433627281 845127161 /nfs/dbraw/zinc/12/71/61/845127161.db2.gz ZARJESOXRHEIEC-UHFFFAOYSA-N 2 2 383.565 3.628 20 0 GHADLP c1cc(C[NH+]2CCCCC2)ccc1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000433627281 845127165 /nfs/dbraw/zinc/12/71/65/845127165.db2.gz ZARJESOXRHEIEC-UHFFFAOYSA-N 2 2 383.565 3.628 20 0 GHADLP Cc1cc[nH+]c(N)c1CNc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000894115168 845240112 /nfs/dbraw/zinc/24/01/12/845240112.db2.gz KRTRYKIPTVNXED-HNNXBMFYSA-N 2 2 385.487 3.536 20 0 GHADLP Cc1cc[nH+]c(N)c1CNc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000894115168 845240126 /nfs/dbraw/zinc/24/01/26/845240126.db2.gz KRTRYKIPTVNXED-HNNXBMFYSA-N 2 2 385.487 3.536 20 0 GHADLP C[C@@H]1C[C@@H](CCNc2cc(N3CCSCC3)[nH+]cn2)C[N@@H+]1Cc1ccccc1 ZINC000433765397 845330808 /nfs/dbraw/zinc/33/08/08/845330808.db2.gz HUHQFOPCJWIRTG-UYAOXDASSA-N 2 2 397.592 3.742 20 0 GHADLP C[C@@H]1C[C@@H](CCNc2cc(N3CCSCC3)[nH+]cn2)C[N@H+]1Cc1ccccc1 ZINC000433765397 845330842 /nfs/dbraw/zinc/33/08/42/845330842.db2.gz HUHQFOPCJWIRTG-UYAOXDASSA-N 2 2 397.592 3.742 20 0 GHADLP C[C@@H]1C[C@@H](CCNc2cc(N3CCSCC3)nc[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000433765397 845330874 /nfs/dbraw/zinc/33/08/74/845330874.db2.gz HUHQFOPCJWIRTG-UYAOXDASSA-N 2 2 397.592 3.742 20 0 GHADLP C[C@@H]1C[C@@H](CCNc2cc(N3CCSCC3)nc[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000433765397 845330930 /nfs/dbraw/zinc/33/09/30/845330930.db2.gz HUHQFOPCJWIRTG-UYAOXDASSA-N 2 2 397.592 3.742 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)[C@@H]2CCC3(C[C@@H]2F)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000892006851 845395789 /nfs/dbraw/zinc/39/57/89/845395789.db2.gz CPTWQXIZWOYRLA-AYWYSENESA-N 2 2 376.516 3.605 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)[C@@H]2CCC3(C[C@@H]2F)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000892006851 845395798 /nfs/dbraw/zinc/39/57/98/845395798.db2.gz CPTWQXIZWOYRLA-AYWYSENESA-N 2 2 376.516 3.605 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)[C@@H]2CCC3(C[C@@H]2F)OCCO3)CC[NH+]1Cc1ccccc1 ZINC000892006851 845395810 /nfs/dbraw/zinc/39/58/10/845395810.db2.gz CPTWQXIZWOYRLA-AYWYSENESA-N 2 2 376.516 3.605 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)[C@@H]2CCC3(C[C@@H]2F)OCCO3)CC[NH+]1Cc1ccccc1 ZINC000892006851 845395823 /nfs/dbraw/zinc/39/58/23/845395823.db2.gz CPTWQXIZWOYRLA-AYWYSENESA-N 2 2 376.516 3.605 20 0 GHADLP Cc1cc(C)c(N2CC[C@H]([N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2=O)c(C)c1 ZINC000249030532 845492173 /nfs/dbraw/zinc/49/21/73/845492173.db2.gz FFLRGAAPXDYMAO-BVSLBCMMSA-N 2 2 381.564 3.666 20 0 GHADLP Cc1cc(C)c(N2CC[C@H]([N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2=O)c(C)c1 ZINC000249030532 845492176 /nfs/dbraw/zinc/49/21/76/845492176.db2.gz FFLRGAAPXDYMAO-BVSLBCMMSA-N 2 2 381.564 3.666 20 0 GHADLP Cc1cc(C)c(N2CC[C@H]([NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C2=O)c(C)c1 ZINC000249030532 845492178 /nfs/dbraw/zinc/49/21/78/845492178.db2.gz FFLRGAAPXDYMAO-BVSLBCMMSA-N 2 2 381.564 3.666 20 0 GHADLP Cc1cc(C)c(N2CC[C@H]([NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2=O)c(C)c1 ZINC000249030532 845492180 /nfs/dbraw/zinc/49/21/80/845492180.db2.gz FFLRGAAPXDYMAO-BVSLBCMMSA-N 2 2 381.564 3.666 20 0 GHADLP C[N@H+](Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C1CC[NH+](CCO)CC1 ZINC000513535875 845609571 /nfs/dbraw/zinc/60/95/71/845609571.db2.gz BDNFQMSKSRXANP-UHFFFAOYSA-N 2 2 382.426 3.854 20 0 GHADLP C[N@@H+](Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C1CC[NH+](CCO)CC1 ZINC000513535875 845609577 /nfs/dbraw/zinc/60/95/77/845609577.db2.gz BDNFQMSKSRXANP-UHFFFAOYSA-N 2 2 382.426 3.854 20 0 GHADLP C[N@H+](Cc1ccc(Oc2ccccc2F)c(F)c1)C1CC[NH+](CCO)CC1 ZINC000513536171 845632862 /nfs/dbraw/zinc/63/28/62/845632862.db2.gz GAELVWOBFQKOAF-UHFFFAOYSA-N 2 2 376.447 3.646 20 0 GHADLP C[N@@H+](Cc1ccc(Oc2ccccc2F)c(F)c1)C1CC[NH+](CCO)CC1 ZINC000513536171 845632868 /nfs/dbraw/zinc/63/28/68/845632868.db2.gz GAELVWOBFQKOAF-UHFFFAOYSA-N 2 2 376.447 3.646 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc3ncccc3c2)[C@@H]1c1cnn(C)c1 ZINC000434009916 845724654 /nfs/dbraw/zinc/72/46/54/845724654.db2.gz AKOBMVCPJMGVLE-NZQKXSOJSA-N 2 2 377.536 3.873 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc3ncccc3c2)[C@@H]1c1cnn(C)c1 ZINC000434009916 845724659 /nfs/dbraw/zinc/72/46/59/845724659.db2.gz AKOBMVCPJMGVLE-NZQKXSOJSA-N 2 2 377.536 3.873 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc3ncccc3c2)[C@@H]1c1cnn(C)c1 ZINC000434009916 845724664 /nfs/dbraw/zinc/72/46/64/845724664.db2.gz AKOBMVCPJMGVLE-NZQKXSOJSA-N 2 2 377.536 3.873 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc3ncccc3c2)[C@@H]1c1cnn(C)c1 ZINC000434009916 845724667 /nfs/dbraw/zinc/72/46/67/845724667.db2.gz AKOBMVCPJMGVLE-NZQKXSOJSA-N 2 2 377.536 3.873 20 0 GHADLP CC(C)[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000502562412 846206448 /nfs/dbraw/zinc/20/64/48/846206448.db2.gz ZPJQIYZENNXNOU-OAQYLSRUSA-N 2 2 389.540 3.518 20 0 GHADLP COCC[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccc(F)cc2F)CC1 ZINC000657330899 846287401 /nfs/dbraw/zinc/28/74/01/846287401.db2.gz FYIVPDNSEKHXSJ-UHFFFAOYSA-N 2 2 390.474 3.744 20 0 GHADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1C ZINC000501104609 846645732 /nfs/dbraw/zinc/64/57/32/846645732.db2.gz ASOXCFRADLVIBI-BGYRXZFFSA-N 2 2 385.596 3.805 20 0 GHADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1C ZINC000501104609 846645739 /nfs/dbraw/zinc/64/57/39/846645739.db2.gz ASOXCFRADLVIBI-BGYRXZFFSA-N 2 2 385.596 3.805 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000422009374 846747986 /nfs/dbraw/zinc/74/79/86/846747986.db2.gz AUNYWBKXOJMBDE-DHIUTWEWSA-N 2 2 383.580 3.589 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000422009374 846747993 /nfs/dbraw/zinc/74/79/93/846747993.db2.gz AUNYWBKXOJMBDE-DHIUTWEWSA-N 2 2 383.580 3.589 20 0 GHADLP CCCc1sc(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)cc1CC ZINC000422011569 846752668 /nfs/dbraw/zinc/75/26/68/846752668.db2.gz UZZGDSQGJSOITQ-UHFFFAOYSA-N 2 2 391.625 3.895 20 0 GHADLP CCCc1sc(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)cc1CC ZINC000422011569 846752677 /nfs/dbraw/zinc/75/26/77/846752677.db2.gz UZZGDSQGJSOITQ-UHFFFAOYSA-N 2 2 391.625 3.895 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(C4=CCCC4)cc3)CC2)CC1 ZINC000422026244 846756721 /nfs/dbraw/zinc/75/67/21/846756721.db2.gz UKPQHUMSMVBVBQ-UHFFFAOYSA-N 2 2 381.564 3.886 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(C4=CCCC4)cc3)CC2)CC1 ZINC000422026244 846756724 /nfs/dbraw/zinc/75/67/24/846756724.db2.gz UKPQHUMSMVBVBQ-UHFFFAOYSA-N 2 2 381.564 3.886 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000503065584 846763369 /nfs/dbraw/zinc/76/33/69/846763369.db2.gz WSZIAJMUXHKCJV-ODOSVJCGSA-N 2 2 398.526 3.953 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000503065584 846763376 /nfs/dbraw/zinc/76/33/76/846763376.db2.gz WSZIAJMUXHKCJV-ODOSVJCGSA-N 2 2 398.526 3.953 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)c3ccccc3Cl)CC2)CC1 ZINC000422149222 846853979 /nfs/dbraw/zinc/85/39/79/846853979.db2.gz XYAVNSDHHIBURL-QGZVFWFLSA-N 2 2 392.975 3.603 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](C)c3ccccc3Cl)CC2)CC1 ZINC000422149222 846853983 /nfs/dbraw/zinc/85/39/83/846853983.db2.gz XYAVNSDHHIBURL-QGZVFWFLSA-N 2 2 392.975 3.603 20 0 GHADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(I)cc2Cl)CC1 ZINC000501454710 846945226 /nfs/dbraw/zinc/94/52/26/846945226.db2.gz YYRFAEVLSZDVJQ-UHFFFAOYSA-N 2 2 392.712 3.907 20 0 GHADLP Cc1cc(CNC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc(C)[nH+]1 ZINC000422193626 847035528 /nfs/dbraw/zinc/03/55/28/847035528.db2.gz SCKIBZNFWXUNTC-IAGOWNOFSA-N 2 2 380.536 3.654 20 0 GHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(-n2ccnc2)cc1 ZINC000272309100 847043788 /nfs/dbraw/zinc/04/37/88/847043788.db2.gz SUPKNZRUAZZYTH-SFHVURJKSA-N 2 2 390.535 3.971 20 0 GHADLP CN(C(=O)C1CCC(C2CC2)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001268966855 847096782 /nfs/dbraw/zinc/09/67/82/847096782.db2.gz DNIMNZCGXPCDET-ZYFYDLNSSA-N 2 2 389.628 3.998 20 0 GHADLP CN(C(=O)C1CCC(C2CC2)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001268966855 847096786 /nfs/dbraw/zinc/09/67/86/847096786.db2.gz DNIMNZCGXPCDET-ZYFYDLNSSA-N 2 2 389.628 3.998 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000420355144 847136202 /nfs/dbraw/zinc/13/62/02/847136202.db2.gz BTVGREFTRFVHRC-YADHBBJMSA-N 2 2 387.568 3.636 20 0 GHADLP CN(C(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000420362005 847140259 /nfs/dbraw/zinc/14/02/59/847140259.db2.gz NWRQHEILJVOWJU-JOCHJYFZSA-N 2 2 379.548 3.732 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000272676490 847143155 /nfs/dbraw/zinc/14/31/55/847143155.db2.gz RAWMFRFDRYPJRU-XMSQKQJNSA-N 3 2 375.520 3.576 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272676490 847143167 /nfs/dbraw/zinc/14/31/67/847143167.db2.gz RAWMFRFDRYPJRU-XMSQKQJNSA-N 3 2 375.520 3.576 20 0 GHADLP C[C@H](Nc1ccc([NH+]2CCC(O)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272857688 847191520 /nfs/dbraw/zinc/19/15/20/847191520.db2.gz UGQVDYIXUCGSJI-PZJWPPBQSA-N 2 2 379.548 3.970 20 0 GHADLP C[C@H](Nc1ccc([NH+]2CCC(O)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272857688 847191527 /nfs/dbraw/zinc/19/15/27/847191527.db2.gz UGQVDYIXUCGSJI-PZJWPPBQSA-N 2 2 379.548 3.970 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000648404433 847455440 /nfs/dbraw/zinc/45/54/40/847455440.db2.gz SUNZZYAYPBFNSK-IAGOWNOFSA-N 2 2 383.517 3.730 20 0 GHADLP COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000420898098 847516894 /nfs/dbraw/zinc/51/68/94/847516894.db2.gz DKFRQLMUFQKBQM-QFIPXVFZSA-N 2 2 396.531 3.873 20 0 GHADLP COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000420898098 847516901 /nfs/dbraw/zinc/51/69/01/847516901.db2.gz DKFRQLMUFQKBQM-QFIPXVFZSA-N 2 2 396.531 3.873 20 0 GHADLP C[N@H+](Cc1ccc(Br)o1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420904417 847523157 /nfs/dbraw/zinc/52/31/57/847523157.db2.gz PMDLOQHINPOHCU-UHFFFAOYSA-N 2 2 379.298 3.506 20 0 GHADLP C[N@@H+](Cc1ccc(Br)o1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420904417 847523159 /nfs/dbraw/zinc/52/31/59/847523159.db2.gz PMDLOQHINPOHCU-UHFFFAOYSA-N 2 2 379.298 3.506 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(-n2cccn2)c1 ZINC000420947747 847569573 /nfs/dbraw/zinc/56/95/73/847569573.db2.gz OUQIKZRZCQCGNK-IBGZPJMESA-N 2 2 376.504 3.555 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000420950505 847572526 /nfs/dbraw/zinc/57/25/26/847572526.db2.gz RHMHGJFBTMMUKQ-SFHVURJKSA-N 2 2 393.531 3.718 20 0 GHADLP O=C(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420969438 847597005 /nfs/dbraw/zinc/59/70/05/847597005.db2.gz YETRKKALYZUODR-UHFFFAOYSA-N 2 2 396.506 3.753 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Nc1cc(F)cc(F)c1 ZINC000503389699 847647995 /nfs/dbraw/zinc/64/79/95/847647995.db2.gz ZTHVNZYWCSBYSY-HNNXBMFYSA-N 2 2 388.462 3.706 20 0 GHADLP O=C(CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Nc1cc(F)cc(F)c1 ZINC000503389699 847648001 /nfs/dbraw/zinc/64/80/01/847648001.db2.gz ZTHVNZYWCSBYSY-HNNXBMFYSA-N 2 2 388.462 3.706 20 0 GHADLP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502321336 847734554 /nfs/dbraw/zinc/73/45/54/847734554.db2.gz XMRCZTHEJSKIOV-PKOBYXMFSA-N 2 2 397.519 3.539 20 0 GHADLP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502321336 847734557 /nfs/dbraw/zinc/73/45/57/847734557.db2.gz XMRCZTHEJSKIOV-PKOBYXMFSA-N 2 2 397.519 3.539 20 0 GHADLP COc1cc(OC)c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(OC)c1 ZINC000502342288 847774759 /nfs/dbraw/zinc/77/47/59/847774759.db2.gz BMQSFJITXKBUFL-INIZCTEOSA-N 2 2 385.508 3.625 20 0 GHADLP COc1cc(OC)c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(OC)c1 ZINC000502342288 847774766 /nfs/dbraw/zinc/77/47/66/847774766.db2.gz BMQSFJITXKBUFL-INIZCTEOSA-N 2 2 385.508 3.625 20 0 GHADLP COc1cc([C@H](C)[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)ccc1OCc1ccccc1 ZINC000422723297 847798046 /nfs/dbraw/zinc/79/80/46/847798046.db2.gz QUTBNQJPTFXRJR-WFXMLNOXSA-N 2 2 384.520 3.692 20 0 GHADLP CCC(CC)C(=O)N1CCC([NH2+][C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422726432 847799951 /nfs/dbraw/zinc/79/99/51/847799951.db2.gz ZWSCHDLNVNCIRW-FGZHOGPDSA-N 2 2 387.568 3.505 20 0 GHADLP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1OCC(=O)N1CCCC1 ZINC000422726249 847799970 /nfs/dbraw/zinc/79/99/70/847799970.db2.gz ZKTHYCZGFQIQLF-FSSWDIPSSA-N 2 2 393.531 3.873 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422842372 847862720 /nfs/dbraw/zinc/86/27/20/847862720.db2.gz FQMLMHFVXBRRTN-ILBGXUMGSA-N 3 2 391.559 3.539 20 0 GHADLP c1ccc([C@@H]2CCc3nc(C[NH2+][C@@H]4CCOC[C@@H]4[C@@H]4CCC[NH2+]4)sc3C2)cc1 ZINC000423049586 847965043 /nfs/dbraw/zinc/96/50/43/847965043.db2.gz KHRQEALXPHAZDR-YSTOQKLRSA-N 2 2 397.588 3.662 20 0 GHADLP COC(=O)c1oc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1C ZINC000582693402 848050617 /nfs/dbraw/zinc/05/06/17/848050617.db2.gz ZAGJXQPVUISFKS-MRXNPFEDSA-N 2 2 376.522 3.698 20 0 GHADLP COC(=O)c1oc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1C ZINC000582693402 848050626 /nfs/dbraw/zinc/05/06/26/848050626.db2.gz ZAGJXQPVUISFKS-MRXNPFEDSA-N 2 2 376.522 3.698 20 0 GHADLP COC(=O)c1oc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1C ZINC000582693402 848050633 /nfs/dbraw/zinc/05/06/33/848050633.db2.gz ZAGJXQPVUISFKS-MRXNPFEDSA-N 2 2 376.522 3.698 20 0 GHADLP COC(=O)c1oc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1C ZINC000582693402 848050637 /nfs/dbraw/zinc/05/06/37/848050637.db2.gz ZAGJXQPVUISFKS-MRXNPFEDSA-N 2 2 376.522 3.698 20 0 GHADLP FC(F)Oc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192355638 861927152 /nfs/dbraw/zinc/92/71/52/861927152.db2.gz JDTAQPNALHTOGR-HXUWFJFHSA-N 2 2 376.447 3.669 20 0 GHADLP FC(F)Oc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192355638 861927169 /nfs/dbraw/zinc/92/71/69/861927169.db2.gz JDTAQPNALHTOGR-HXUWFJFHSA-N 2 2 376.447 3.669 20 0 GHADLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1O ZINC000583136291 849151866 /nfs/dbraw/zinc/15/18/66/849151866.db2.gz PFFSHGMJWLOGAR-FXAWDEMLSA-N 2 2 384.520 3.894 20 0 GHADLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1O ZINC000583136291 849151868 /nfs/dbraw/zinc/15/18/68/849151868.db2.gz PFFSHGMJWLOGAR-FXAWDEMLSA-N 2 2 384.520 3.894 20 0 GHADLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1O ZINC000583136291 849151872 /nfs/dbraw/zinc/15/18/72/849151872.db2.gz PFFSHGMJWLOGAR-FXAWDEMLSA-N 2 2 384.520 3.894 20 0 GHADLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1O ZINC000583136291 849151874 /nfs/dbraw/zinc/15/18/74/849151874.db2.gz PFFSHGMJWLOGAR-FXAWDEMLSA-N 2 2 384.520 3.894 20 0 GHADLP CCN1CCO[C@@H](C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000423100788 849743960 /nfs/dbraw/zinc/74/39/60/849743960.db2.gz HMTGSTUIGCIHIM-SBFWRKJZSA-N 2 2 379.548 3.531 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H]3CCc4ccccc4NC3=O)C2)s1 ZINC000583384571 849760901 /nfs/dbraw/zinc/76/09/01/849760901.db2.gz YEQDDDQUYHDGKG-LAUBAEHRSA-N 2 2 383.561 3.764 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H]3CCc4ccccc4NC3=O)C2)s1 ZINC000583384571 849760907 /nfs/dbraw/zinc/76/09/07/849760907.db2.gz YEQDDDQUYHDGKG-LAUBAEHRSA-N 2 2 383.561 3.764 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H]3CCc4ccccc4NC3=O)C2)s1 ZINC000583384571 849760913 /nfs/dbraw/zinc/76/09/13/849760913.db2.gz YEQDDDQUYHDGKG-LAUBAEHRSA-N 2 2 383.561 3.764 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H]3CCc4ccccc4NC3=O)C2)s1 ZINC000583384571 849760920 /nfs/dbraw/zinc/76/09/20/849760920.db2.gz YEQDDDQUYHDGKG-LAUBAEHRSA-N 2 2 383.561 3.764 20 0 GHADLP [NH3+][C@@H]1CCCCC[C@H]1NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000423183013 849775913 /nfs/dbraw/zinc/77/59/13/849775913.db2.gz MHBORDZYBDRAQZ-RTBURBONSA-N 2 2 380.374 3.663 20 0 GHADLP CN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425209941 849821210 /nfs/dbraw/zinc/82/12/10/849821210.db2.gz VISZHWBASZGJPD-FCHUYYIVSA-N 2 2 388.515 3.665 20 0 GHADLP CN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425209941 849821216 /nfs/dbraw/zinc/82/12/16/849821216.db2.gz VISZHWBASZGJPD-FCHUYYIVSA-N 2 2 388.515 3.665 20 0 GHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423371328 849875934 /nfs/dbraw/zinc/87/59/34/849875934.db2.gz VCSAILQJGSJYEC-FIXISWKDSA-N 2 2 377.838 3.664 20 0 GHADLP Brc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423492444 849953855 /nfs/dbraw/zinc/95/38/55/849953855.db2.gz NCIYCRRZRZKZBQ-RTBURBONSA-N 2 2 375.310 3.507 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OCc1ccc(F)cc1 ZINC000430138745 850163665 /nfs/dbraw/zinc/16/36/65/850163665.db2.gz OBYNZTNHQDGAEX-HSZRJFAPSA-N 2 2 384.495 3.941 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OCc1ccc(F)cc1 ZINC000430138745 850163669 /nfs/dbraw/zinc/16/36/69/850163669.db2.gz OBYNZTNHQDGAEX-HSZRJFAPSA-N 2 2 384.495 3.941 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1OCc1ccc(F)cc1 ZINC000430138745 850163674 /nfs/dbraw/zinc/16/36/74/850163674.db2.gz OBYNZTNHQDGAEX-HSZRJFAPSA-N 2 2 384.495 3.941 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1OCc1ccc(F)cc1 ZINC000430138745 850163680 /nfs/dbraw/zinc/16/36/80/850163680.db2.gz OBYNZTNHQDGAEX-HSZRJFAPSA-N 2 2 384.495 3.941 20 0 GHADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C[C@H]2C1 ZINC000424314654 850356706 /nfs/dbraw/zinc/35/67/06/850356706.db2.gz OXPSPYRIKFLQLD-ZZAQKESKSA-N 2 2 391.987 3.645 20 0 GHADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000506688090 850438969 /nfs/dbraw/zinc/43/89/69/850438969.db2.gz FBMFFWIUMFYMMA-HXUWFJFHSA-N 2 2 396.441 3.968 20 0 GHADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000506688090 850438978 /nfs/dbraw/zinc/43/89/78/850438978.db2.gz FBMFFWIUMFYMMA-HXUWFJFHSA-N 2 2 396.441 3.968 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1ccc(OC(C)C)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435431817 850488932 /nfs/dbraw/zinc/48/89/32/850488932.db2.gz GAYCXFLPIPJHAW-OAQYLSRUSA-N 2 2 382.552 3.835 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1ccc(OC(C)C)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435431817 850488940 /nfs/dbraw/zinc/48/89/40/850488940.db2.gz GAYCXFLPIPJHAW-OAQYLSRUSA-N 2 2 382.552 3.835 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)[C@H]1CC12CC[NH2+]CC2 ZINC000435424937 850507564 /nfs/dbraw/zinc/50/75/64/850507564.db2.gz XIUIBWJIRZUXOM-NRFANRHFSA-N 2 2 394.563 3.761 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)[C@H]1CC12CC[NH2+]CC2 ZINC000435424937 850507571 /nfs/dbraw/zinc/50/75/71/850507571.db2.gz XIUIBWJIRZUXOM-NRFANRHFSA-N 2 2 394.563 3.761 20 0 GHADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000414807381 850631147 /nfs/dbraw/zinc/63/11/47/850631147.db2.gz CSMMJLKYHLLQDX-LLVKDONJSA-N 2 2 381.261 3.666 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@@H](c4ccnn4C)C3)CC2)c1 ZINC000515204569 850783308 /nfs/dbraw/zinc/78/33/08/850783308.db2.gz UYMDUDRHEBRBPH-FGZHOGPDSA-N 2 2 395.595 3.557 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425147878 851497067 /nfs/dbraw/zinc/49/70/67/851497067.db2.gz RYEUKXSLSAUKEW-FGZHOGPDSA-N 2 2 388.515 3.713 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000425147878 851497082 /nfs/dbraw/zinc/49/70/82/851497082.db2.gz RYEUKXSLSAUKEW-FGZHOGPDSA-N 2 2 388.515 3.713 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+](C)C)cc1 ZINC000425150928 851529637 /nfs/dbraw/zinc/52/96/37/851529637.db2.gz WFWFEQJOEZQKDQ-FGZHOGPDSA-N 2 2 390.531 3.913 20 0 GHADLP CC(C)(C)C[C@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000111243891 851580237 /nfs/dbraw/zinc/58/02/37/851580237.db2.gz OBTFQSSUQHVGGX-FQEVSTJZSA-N 2 2 386.515 3.953 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCCc2ccccc2OC)[C@@H]1c1cnn(C)c1 ZINC000434738522 851605736 /nfs/dbraw/zinc/60/57/36/851605736.db2.gz OHITXUJMMATHSI-NZQKXSOJSA-N 2 2 384.568 3.766 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCCc2ccccc2OC)[C@@H]1c1cnn(C)c1 ZINC000434738522 851605740 /nfs/dbraw/zinc/60/57/40/851605740.db2.gz OHITXUJMMATHSI-NZQKXSOJSA-N 2 2 384.568 3.766 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCCc2ccccc2OC)[C@@H]1c1cnn(C)c1 ZINC000434738522 851605743 /nfs/dbraw/zinc/60/57/43/851605743.db2.gz OHITXUJMMATHSI-NZQKXSOJSA-N 2 2 384.568 3.766 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCCc2ccccc2OC)[C@@H]1c1cnn(C)c1 ZINC000434738522 851605749 /nfs/dbraw/zinc/60/57/49/851605749.db2.gz OHITXUJMMATHSI-NZQKXSOJSA-N 2 2 384.568 3.766 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000894583022 851747202 /nfs/dbraw/zinc/74/72/02/851747202.db2.gz ZFRKDEJBLNGJHN-HNNXBMFYSA-N 2 2 399.482 3.782 20 0 GHADLP C[C@@H](c1nnc(SC[C@H]2CC[N@H+](C)C2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000473795304 852046854 /nfs/dbraw/zinc/04/68/54/852046854.db2.gz JDJQRBKBGROKEZ-KBPBESRZSA-N 2 2 379.961 3.587 20 0 GHADLP C[C@@H](c1nnc(SC[C@H]2CC[N@@H+](C)C2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000473795304 852046865 /nfs/dbraw/zinc/04/68/65/852046865.db2.gz JDJQRBKBGROKEZ-KBPBESRZSA-N 2 2 379.961 3.587 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438153810 852066615 /nfs/dbraw/zinc/06/66/15/852066615.db2.gz ORVQUYYOBHVPAK-FQEVSTJZSA-N 2 2 389.588 3.664 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438153810 852066623 /nfs/dbraw/zinc/06/66/23/852066623.db2.gz ORVQUYYOBHVPAK-FQEVSTJZSA-N 2 2 389.588 3.664 20 0 GHADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cn(Cc4ccccc4)nc3-c3cccs3)C[C@@H]2C1 ZINC000425959415 852121219 /nfs/dbraw/zinc/12/12/19/852121219.db2.gz SAPWBQBHBUPFTO-KDURUIRLSA-N 2 2 378.545 3.653 20 0 GHADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cn(Cc4ccccc4)nc3-c3cccs3)C[C@@H]2C1 ZINC000425959415 852121229 /nfs/dbraw/zinc/12/12/29/852121229.db2.gz SAPWBQBHBUPFTO-KDURUIRLSA-N 2 2 378.545 3.653 20 0 GHADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cn(Cc4ccccc4)nc3-c3cccs3)C[C@@H]2C1 ZINC000425959415 852121239 /nfs/dbraw/zinc/12/12/39/852121239.db2.gz SAPWBQBHBUPFTO-KDURUIRLSA-N 2 2 378.545 3.653 20 0 GHADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cn(Cc4ccccc4)nc3-c3cccs3)C[C@@H]2C1 ZINC000425959415 852121249 /nfs/dbraw/zinc/12/12/49/852121249.db2.gz SAPWBQBHBUPFTO-KDURUIRLSA-N 2 2 378.545 3.653 20 0 GHADLP Cn1cc[nH+]c1C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000667961714 862335994 /nfs/dbraw/zinc/33/59/94/862335994.db2.gz SEJIRJPLTAJBTC-SFTDATJTSA-N 2 2 376.504 3.513 20 0 GHADLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000489399437 852302710 /nfs/dbraw/zinc/30/27/10/852302710.db2.gz YFJNGQZCKUNJQF-NFBKMPQASA-N 2 2 395.522 3.775 20 0 GHADLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000489399437 852302715 /nfs/dbraw/zinc/30/27/15/852302715.db2.gz YFJNGQZCKUNJQF-NFBKMPQASA-N 2 2 395.522 3.775 20 0 GHADLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000489399437 852302719 /nfs/dbraw/zinc/30/27/19/852302719.db2.gz YFJNGQZCKUNJQF-NFBKMPQASA-N 2 2 395.522 3.775 20 0 GHADLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000489399437 852302723 /nfs/dbraw/zinc/30/27/23/852302723.db2.gz YFJNGQZCKUNJQF-NFBKMPQASA-N 2 2 395.522 3.775 20 0 GHADLP Cc1ccc(C[N@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000506917206 852332683 /nfs/dbraw/zinc/33/26/83/852332683.db2.gz MOUJUHSKLUCEEH-UHFFFAOYSA-N 2 2 383.561 3.614 20 0 GHADLP Cc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000506917206 852332692 /nfs/dbraw/zinc/33/26/92/852332692.db2.gz MOUJUHSKLUCEEH-UHFFFAOYSA-N 2 2 383.561 3.614 20 0 GHADLP C[C@H]1C[C@H](C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000507095369 852539884 /nfs/dbraw/zinc/53/98/84/852539884.db2.gz RKCLLRJMOZJSBB-YMYKFTITSA-N 2 2 377.617 3.854 20 0 GHADLP C[C@H]1C[C@H](C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000507095369 852539890 /nfs/dbraw/zinc/53/98/90/852539890.db2.gz RKCLLRJMOZJSBB-YMYKFTITSA-N 2 2 377.617 3.854 20 0 GHADLP C[C@H]([NH3+])c1ccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000414896272 852649165 /nfs/dbraw/zinc/64/91/65/852649165.db2.gz BFTWUBKQTBTIHM-KURKYZTESA-N 2 2 396.535 3.637 20 0 GHADLP CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000517956797 852658201 /nfs/dbraw/zinc/65/82/01/852658201.db2.gz JFBCVNHJNLXBKG-XMSQKQJNSA-N 2 2 383.536 3.557 20 0 GHADLP CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000517956797 852658204 /nfs/dbraw/zinc/65/82/04/852658204.db2.gz JFBCVNHJNLXBKG-XMSQKQJNSA-N 2 2 383.536 3.557 20 0 GHADLP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000517956797 852658207 /nfs/dbraw/zinc/65/82/07/852658207.db2.gz JFBCVNHJNLXBKG-XMSQKQJNSA-N 2 2 383.536 3.557 20 0 GHADLP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000517956797 852658210 /nfs/dbraw/zinc/65/82/10/852658210.db2.gz JFBCVNHJNLXBKG-XMSQKQJNSA-N 2 2 383.536 3.557 20 0 GHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000518005830 852706035 /nfs/dbraw/zinc/70/60/35/852706035.db2.gz ZBALOBXKFGLWRA-UHFFFAOYSA-N 2 2 399.966 3.815 20 0 GHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000518005830 852706041 /nfs/dbraw/zinc/70/60/41/852706041.db2.gz ZBALOBXKFGLWRA-UHFFFAOYSA-N 2 2 399.966 3.815 20 0 GHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)Cc2ccc(Cl)cc2)CC1 ZINC000518005830 852706046 /nfs/dbraw/zinc/70/60/46/852706046.db2.gz ZBALOBXKFGLWRA-UHFFFAOYSA-N 2 2 399.966 3.815 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)Cc2ccc(Cl)cc2)CC1 ZINC000518005830 852706052 /nfs/dbraw/zinc/70/60/52/852706052.db2.gz ZBALOBXKFGLWRA-UHFFFAOYSA-N 2 2 399.966 3.815 20 0 GHADLP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000437116457 852754116 /nfs/dbraw/zinc/75/41/16/852754116.db2.gz LNBYFHLPISRHDN-UHFFFAOYSA-N 2 2 389.503 3.575 20 0 GHADLP C[C@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000490566808 853110459 /nfs/dbraw/zinc/11/04/59/853110459.db2.gz PVNMTAGQODFFBN-FGTMMUONSA-N 2 2 394.523 3.523 20 0 GHADLP C[C@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000490566808 853110465 /nfs/dbraw/zinc/11/04/65/853110465.db2.gz PVNMTAGQODFFBN-FGTMMUONSA-N 2 2 394.523 3.523 20 0 GHADLP C[C@@H]1C[N@@H+]([C@H]2CCc3c2cc(Cl)cc3Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490628499 853151377 /nfs/dbraw/zinc/15/13/77/853151377.db2.gz HJKUQKHRNPBNKD-UAOJZALGSA-N 2 2 382.379 3.939 20 0 GHADLP C[C@@H]1C[N@H+]([C@H]2CCc3c2cc(Cl)cc3Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490628499 853151380 /nfs/dbraw/zinc/15/13/80/853151380.db2.gz HJKUQKHRNPBNKD-UAOJZALGSA-N 2 2 382.379 3.939 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccc(F)cc1 ZINC000519824029 853532883 /nfs/dbraw/zinc/53/28/83/853532883.db2.gz GYTZXCRAMXXYNB-IFMALSPDSA-N 2 2 393.506 3.718 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccc(F)cc1 ZINC000519824029 853532884 /nfs/dbraw/zinc/53/28/84/853532884.db2.gz GYTZXCRAMXXYNB-IFMALSPDSA-N 2 2 393.506 3.718 20 0 GHADLP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccnc(Cl)c1 ZINC000163932825 853629237 /nfs/dbraw/zinc/62/92/37/853629237.db2.gz MPTQQQXTIDYYFO-LJQANCHMSA-N 2 2 386.971 3.984 20 0 GHADLP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000414998534 853649455 /nfs/dbraw/zinc/64/94/55/853649455.db2.gz ICTZAUNZQPDNJA-INDWIESVSA-N 2 2 381.539 3.944 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c(C)c1 ZINC000440843712 853676143 /nfs/dbraw/zinc/67/61/43/853676143.db2.gz LZHBUQVKFYUQDH-KNQAVFIVSA-N 2 2 397.567 3.662 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000520260619 853995943 /nfs/dbraw/zinc/99/59/43/853995943.db2.gz WWEQRFQTHPGKJG-MGPUTAFESA-N 2 2 378.438 3.775 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000520260619 853995949 /nfs/dbraw/zinc/99/59/49/853995949.db2.gz WWEQRFQTHPGKJG-MGPUTAFESA-N 2 2 378.438 3.775 20 0 GHADLP CC(C)Sc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000571749839 854039297 /nfs/dbraw/zinc/03/92/97/854039297.db2.gz YELAJQIKMLDCAJ-VOBGVNJCSA-N 2 2 389.609 3.921 20 0 GHADLP CC(C)Sc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000571749839 854039304 /nfs/dbraw/zinc/03/93/04/854039304.db2.gz YELAJQIKMLDCAJ-VOBGVNJCSA-N 2 2 389.609 3.921 20 0 GHADLP Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441382269 854142525 /nfs/dbraw/zinc/14/25/25/854142525.db2.gz KJBHHCJTHBCTFY-OFNKIYASSA-N 2 2 390.531 3.844 20 0 GHADLP CC(C)[C@@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@@H](C)[NH3+] ZINC000571796024 854158001 /nfs/dbraw/zinc/15/80/01/854158001.db2.gz TYZKIGVVPXDALS-WZONZLPQSA-N 2 2 390.531 3.834 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N(C)c2ccccc2)c(C)c1 ZINC000441379593 854164047 /nfs/dbraw/zinc/16/40/47/854164047.db2.gz PFJXWGVKVFXHJA-UGKGYDQZSA-N 2 2 376.504 3.882 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N(C)c2ccccc2)c(C)c1 ZINC000441379591 854164425 /nfs/dbraw/zinc/16/44/25/854164425.db2.gz PFJXWGVKVFXHJA-SIKLNZKXSA-N 2 2 376.504 3.882 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1 ZINC000441380101 854166297 /nfs/dbraw/zinc/16/62/97/854166297.db2.gz PGFWYVLHQGIRKL-VQIMIIECSA-N 2 2 397.910 3.906 20 0 GHADLP CCN(CCC[NH+]1CCCC1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458887801 854465624 /nfs/dbraw/zinc/46/56/24/854465624.db2.gz QZYNPBUQMCFFHW-UHFFFAOYSA-N 2 2 389.931 3.543 20 0 GHADLP Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)o2)cc1 ZINC000328657863 854492525 /nfs/dbraw/zinc/49/25/25/854492525.db2.gz PWWQDWCAJHSRLD-GOSISDBHSA-N 2 2 377.492 3.957 20 0 GHADLP Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)o2)cc1 ZINC000328657863 854492529 /nfs/dbraw/zinc/49/25/29/854492529.db2.gz PWWQDWCAJHSRLD-GOSISDBHSA-N 2 2 377.492 3.957 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000069574408 854679192 /nfs/dbraw/zinc/67/91/92/854679192.db2.gz RQPIREYVDAEKBQ-IAGOWNOFSA-N 2 2 398.378 3.581 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000069574408 854679200 /nfs/dbraw/zinc/67/92/00/854679200.db2.gz RQPIREYVDAEKBQ-IAGOWNOFSA-N 2 2 398.378 3.581 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000536303221 854684429 /nfs/dbraw/zinc/68/44/29/854684429.db2.gz VIBOXSANBWKEPW-ZWKOTPCHSA-N 2 2 384.351 3.513 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000536303221 854684435 /nfs/dbraw/zinc/68/44/35/854684435.db2.gz VIBOXSANBWKEPW-ZWKOTPCHSA-N 2 2 384.351 3.513 20 0 GHADLP C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001128011900 854825257 /nfs/dbraw/zinc/82/52/57/854825257.db2.gz UUWQDHCEMJRMDT-MJCUUPPCSA-N 2 2 377.617 3.854 20 0 GHADLP C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001128011900 854825259 /nfs/dbraw/zinc/82/52/59/854825259.db2.gz UUWQDHCEMJRMDT-MJCUUPPCSA-N 2 2 377.617 3.854 20 0 GHADLP COc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccc(O)cc4)CC3)CCO2)cc1 ZINC001168613704 854873832 /nfs/dbraw/zinc/87/38/32/854873832.db2.gz JZCRXGXWMGNNBN-ZJSXRUAMSA-N 2 2 396.531 3.875 20 0 GHADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)cc2)[nH+]c1C ZINC000921666323 855064839 /nfs/dbraw/zinc/06/48/39/855064839.db2.gz ZJUARPMHCNFPIN-HXUWFJFHSA-N 2 2 389.503 3.939 20 0 GHADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)cc2)[nH+]c1C ZINC000921666323 855064844 /nfs/dbraw/zinc/06/48/44/855064844.db2.gz ZJUARPMHCNFPIN-HXUWFJFHSA-N 2 2 389.503 3.939 20 0 GHADLP Cc1cccc([C@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000441530890 855583857 /nfs/dbraw/zinc/58/38/57/855583857.db2.gz GZFLLGGWNIWGFS-FCHUYYIVSA-N 2 2 378.564 3.985 20 0 GHADLP Cc1cccc([C@H](C)[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000441530890 855583864 /nfs/dbraw/zinc/58/38/64/855583864.db2.gz GZFLLGGWNIWGFS-FCHUYYIVSA-N 2 2 378.564 3.985 20 0 GHADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000591083226 855752262 /nfs/dbraw/zinc/75/22/62/855752262.db2.gz RSVHKSBFQVXJFP-PKTZIBPZSA-N 2 2 388.515 3.620 20 0 GHADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000591083226 855752272 /nfs/dbraw/zinc/75/22/72/855752272.db2.gz RSVHKSBFQVXJFP-PKTZIBPZSA-N 2 2 388.515 3.620 20 0 GHADLP COc1ccc(NC(=O)C[C@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000895110302 856091304 /nfs/dbraw/zinc/09/13/04/856091304.db2.gz HYCRDISCPFEMGX-LNLFQRSKSA-N 2 2 382.508 3.584 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000499425593 856133814 /nfs/dbraw/zinc/13/38/14/856133814.db2.gz CXJBWPJYCBLXHQ-VQTJNVASSA-N 2 2 388.515 3.666 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000499425593 856133822 /nfs/dbraw/zinc/13/38/22/856133822.db2.gz CXJBWPJYCBLXHQ-VQTJNVASSA-N 2 2 388.515 3.666 20 0 GHADLP CCN(CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000765755765 856232173 /nfs/dbraw/zinc/23/21/73/856232173.db2.gz YYGOHAJDCBRYOQ-ICSRJNTNSA-N 2 2 390.572 3.529 20 0 GHADLP CCN(CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000765755765 856232178 /nfs/dbraw/zinc/23/21/78/856232178.db2.gz YYGOHAJDCBRYOQ-ICSRJNTNSA-N 2 2 390.572 3.529 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N[C@H]3CCCC[C@H]3C)C2)s1 ZINC000573486863 856251571 /nfs/dbraw/zinc/25/15/71/856251571.db2.gz UNRPQDCQGDQORA-POAQFYNOSA-N 2 2 377.598 3.505 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N[C@H]3CCCC[C@H]3C)C2)s1 ZINC000573486863 856251579 /nfs/dbraw/zinc/25/15/79/856251579.db2.gz UNRPQDCQGDQORA-POAQFYNOSA-N 2 2 377.598 3.505 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@H]3CCCC[C@H]3C)C2)s1 ZINC000573486863 856251585 /nfs/dbraw/zinc/25/15/85/856251585.db2.gz UNRPQDCQGDQORA-POAQFYNOSA-N 2 2 377.598 3.505 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@H]3CCCC[C@H]3C)C2)s1 ZINC000573486863 856251596 /nfs/dbraw/zinc/25/15/96/856251596.db2.gz UNRPQDCQGDQORA-POAQFYNOSA-N 2 2 377.598 3.505 20 0 GHADLP CN(CC[N@H+](C)Cc1cc(Cl)ccc1OCC1CC1)C1CC[NH+](C)CC1 ZINC000573526493 856272329 /nfs/dbraw/zinc/27/23/29/856272329.db2.gz IBBYXODKXDEKKT-UHFFFAOYSA-N 2 2 379.976 3.587 20 0 GHADLP CN(CC[N@@H+](C)Cc1cc(Cl)ccc1OCC1CC1)C1CC[NH+](C)CC1 ZINC000573526493 856272341 /nfs/dbraw/zinc/27/23/41/856272341.db2.gz IBBYXODKXDEKKT-UHFFFAOYSA-N 2 2 379.976 3.587 20 0 GHADLP CC(C)CC(CC(C)C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465892550 856799921 /nfs/dbraw/zinc/79/99/21/856799921.db2.gz PZAXZNANAADMMU-UHFFFAOYSA-N 2 2 380.621 3.697 20 0 GHADLP C[C@H](C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[NH+]1[C@H](C)CC[C@H]1C ZINC000508193133 857051006 /nfs/dbraw/zinc/05/10/06/857051006.db2.gz JNCIHGOPYHCWBL-BRWVUGGUSA-N 2 2 398.576 3.901 20 0 GHADLP C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[NH+]1[C@H](C)CC[C@H]1C ZINC000508193133 857051017 /nfs/dbraw/zinc/05/10/17/857051017.db2.gz JNCIHGOPYHCWBL-BRWVUGGUSA-N 2 2 398.576 3.901 20 0 GHADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000112372680 857127696 /nfs/dbraw/zinc/12/76/96/857127696.db2.gz GYEBMGZOUXRXLK-AWEZNQCLSA-N 2 2 377.330 3.661 20 0 GHADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000112372680 857127700 /nfs/dbraw/zinc/12/77/00/857127700.db2.gz GYEBMGZOUXRXLK-AWEZNQCLSA-N 2 2 377.330 3.661 20 0 GHADLP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000057847290 857242935 /nfs/dbraw/zinc/24/29/35/857242935.db2.gz ZYZNXHHAPLCRNV-AWEZNQCLSA-N 2 2 376.570 3.716 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188874 862907115 /nfs/dbraw/zinc/90/71/15/862907115.db2.gz KAQTXRFWLAIMGO-LPHOPBHVSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188874 862907129 /nfs/dbraw/zinc/90/71/29/862907129.db2.gz KAQTXRFWLAIMGO-LPHOPBHVSA-N 2 2 377.960 3.684 20 0 GHADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060602905 857464068 /nfs/dbraw/zinc/46/40/68/857464068.db2.gz XUFRIAMTNZCZJU-IBGZPJMESA-N 2 2 380.517 3.560 20 0 GHADLP CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC000061136809 857499572 /nfs/dbraw/zinc/49/95/72/857499572.db2.gz WGJBNCHLVKCZHN-UHFFFAOYSA-N 2 2 389.503 3.655 20 0 GHADLP Cc1oc2nc(C[N@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)nc(N)c2c1C ZINC000521046493 857539114 /nfs/dbraw/zinc/53/91/14/857539114.db2.gz UQPOWABGEQFUNA-INIZCTEOSA-N 2 2 397.548 3.628 20 0 GHADLP Cc1oc2nc(C[N@@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)nc(N)c2c1C ZINC000521046493 857539119 /nfs/dbraw/zinc/53/91/19/857539119.db2.gz UQPOWABGEQFUNA-INIZCTEOSA-N 2 2 397.548 3.628 20 0 GHADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000675921734 857666227 /nfs/dbraw/zinc/66/62/27/857666227.db2.gz ZFNOJIVKXHZSLJ-XXBNENTESA-N 2 2 390.531 3.891 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)C[C@@H](C)O4)CC2)cc1 ZINC000922159213 858155834 /nfs/dbraw/zinc/15/58/34/858155834.db2.gz MBHARMMCEUMXMW-QGZVFWFLSA-N 2 2 393.531 3.723 20 0 GHADLP COc1cc(OC)c([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000765973746 858173811 /nfs/dbraw/zinc/17/38/11/858173811.db2.gz FDXMRDGLCUSTKI-GDBMZVCRSA-N 2 2 382.932 3.651 20 0 GHADLP COc1ccc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OCc1ccccc1 ZINC000521821937 858355981 /nfs/dbraw/zinc/35/59/81/858355981.db2.gz IBQSTTMZZQKCCI-BGYRXZFFSA-N 2 2 398.547 3.863 20 0 GHADLP COc1ccc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OCc1ccccc1 ZINC000521821937 858355990 /nfs/dbraw/zinc/35/59/90/858355990.db2.gz IBQSTTMZZQKCCI-BGYRXZFFSA-N 2 2 398.547 3.863 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+][C@H](C(N)=O)c3ccc(F)cc3)cc2)C1 ZINC000066939576 858365871 /nfs/dbraw/zinc/36/58/71/858365871.db2.gz XMOWUNVOJWADBE-YVHKJVDXSA-N 2 2 383.511 3.620 20 0 GHADLP CCc1ccc([C@H](CN2CCOCC2)[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000183699443 858801043 /nfs/dbraw/zinc/80/10/43/858801043.db2.gz OBCRZZOKCIWMOF-DEOSSOPVSA-N 2 2 385.596 3.619 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc(F)c(Cl)cc1Cl ZINC000482868417 858928301 /nfs/dbraw/zinc/92/83/01/858928301.db2.gz LCXYPQKHPWHYDN-GFCCVEGCSA-N 2 2 390.330 3.726 20 0 GHADLP C[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000532193299 881377884 /nfs/dbraw/zinc/37/78/84/881377884.db2.gz DVOLFANTSOZTLE-IRXDYDNUSA-N 2 2 377.960 3.797 20 0 GHADLP C[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[N@H+]1CCCC[C@@H]1C ZINC000532193299 881377920 /nfs/dbraw/zinc/37/79/20/881377920.db2.gz DVOLFANTSOZTLE-IRXDYDNUSA-N 2 2 377.960 3.797 20 0 GHADLP Clc1ccc(-c2noc(CC[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)n2)cc1 ZINC000543244062 859009328 /nfs/dbraw/zinc/00/93/28/859009328.db2.gz DNLGCKYPJSSRHL-UHFFFAOYSA-N 2 2 385.880 3.970 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncccc3C(F)(F)F)C2)ccn1 ZINC000856552263 881372732 /nfs/dbraw/zinc/37/27/32/881372732.db2.gz KMCBZVKCKPLOHD-KRWDZBQOSA-N 2 2 394.441 3.600 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncccc3C(F)(F)F)C2)ccn1 ZINC000856552263 881372754 /nfs/dbraw/zinc/37/27/54/881372754.db2.gz KMCBZVKCKPLOHD-KRWDZBQOSA-N 2 2 394.441 3.600 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ncccc3C(F)(F)F)C2)ccn1 ZINC000856552263 881372775 /nfs/dbraw/zinc/37/27/75/881372775.db2.gz KMCBZVKCKPLOHD-KRWDZBQOSA-N 2 2 394.441 3.600 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ncccc3C(F)(F)F)C2)ccn1 ZINC000856552263 881372797 /nfs/dbraw/zinc/37/27/97/881372797.db2.gz KMCBZVKCKPLOHD-KRWDZBQOSA-N 2 2 394.441 3.600 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000185173518 859052259 /nfs/dbraw/zinc/05/22/59/859052259.db2.gz ZUKMTMJKPHOMEJ-UHFFFAOYSA-N 2 2 384.487 3.685 20 0 GHADLP C[C@H](CCNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[NH+]1CCCCC1 ZINC000543285205 859133453 /nfs/dbraw/zinc/13/34/53/859133453.db2.gz UIRGWKGVWAITDP-IAGOWNOFSA-N 2 2 393.601 3.761 20 0 GHADLP C[C@H](CCNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[NH+]1CCCCC1 ZINC000543285205 859133466 /nfs/dbraw/zinc/13/34/66/859133466.db2.gz UIRGWKGVWAITDP-IAGOWNOFSA-N 2 2 393.601 3.761 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)C2)ccn1 ZINC000856554118 881390653 /nfs/dbraw/zinc/39/06/53/881390653.db2.gz PGOXVDRKTWSIQQ-JOCHJYFZSA-N 2 2 391.519 3.577 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)C2)ccn1 ZINC000856554118 881390673 /nfs/dbraw/zinc/39/06/73/881390673.db2.gz PGOXVDRKTWSIQQ-JOCHJYFZSA-N 2 2 391.519 3.577 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)ccn1 ZINC000856554118 881390704 /nfs/dbraw/zinc/39/07/04/881390704.db2.gz PGOXVDRKTWSIQQ-JOCHJYFZSA-N 2 2 391.519 3.577 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)ccn1 ZINC000856554118 881390738 /nfs/dbraw/zinc/39/07/38/881390738.db2.gz PGOXVDRKTWSIQQ-JOCHJYFZSA-N 2 2 391.519 3.577 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)C2)ccn1 ZINC000856554118 881390797 /nfs/dbraw/zinc/39/07/97/881390797.db2.gz PGOXVDRKTWSIQQ-JOCHJYFZSA-N 2 2 391.519 3.577 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)C2)ccn1 ZINC000856554118 881390861 /nfs/dbraw/zinc/39/08/61/881390861.db2.gz PGOXVDRKTWSIQQ-JOCHJYFZSA-N 2 2 391.519 3.577 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3c[nH]c(-c4ccccc4)n3)C2)ccn1 ZINC000856554118 881390925 /nfs/dbraw/zinc/39/09/25/881390925.db2.gz PGOXVDRKTWSIQQ-JOCHJYFZSA-N 2 2 391.519 3.577 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3c[nH]c(-c4ccccc4)n3)C2)ccn1 ZINC000856554118 881390987 /nfs/dbraw/zinc/39/09/87/881390987.db2.gz PGOXVDRKTWSIQQ-JOCHJYFZSA-N 2 2 391.519 3.577 20 0 GHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c1 ZINC000483178638 859193085 /nfs/dbraw/zinc/19/30/85/859193085.db2.gz HBDMYOYOQPNRBU-CTNGQTDRSA-N 2 2 399.579 3.555 20 0 GHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)c1 ZINC000483178638 859193093 /nfs/dbraw/zinc/19/30/93/859193093.db2.gz HBDMYOYOQPNRBU-CTNGQTDRSA-N 2 2 399.579 3.555 20 0 GHADLP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000466712301 859253845 /nfs/dbraw/zinc/25/38/45/859253845.db2.gz HJBKFNPMKNQDJG-HNNXBMFYSA-N 2 2 399.938 3.629 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1Cl ZINC000597067071 859260591 /nfs/dbraw/zinc/26/05/91/859260591.db2.gz DLYSWZNZIICYBD-HNNXBMFYSA-N 2 2 387.911 3.837 20 0 GHADLP c1ccc(N2CC[NH+](CCC[NH+]3CCC(OCC4CCCC4)CC3)CC2)cc1 ZINC000509392148 859281180 /nfs/dbraw/zinc/28/11/80/859281180.db2.gz HOFWRWPLAGLPDU-UHFFFAOYSA-N 2 2 385.596 3.870 20 0 GHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000522399422 859339469 /nfs/dbraw/zinc/33/94/69/859339469.db2.gz MXQDWHZSIPJMSD-QFIPXVFZSA-N 2 2 389.503 3.509 20 0 GHADLP C[C@H]1C[N@H+](C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000597182805 859341540 /nfs/dbraw/zinc/34/15/40/859341540.db2.gz CAQNJJBWQWXEAG-HNNXBMFYSA-N 2 2 381.549 3.560 20 0 GHADLP C[C@H]1C[N@@H+](C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000597182805 859341552 /nfs/dbraw/zinc/34/15/52/859341552.db2.gz CAQNJJBWQWXEAG-HNNXBMFYSA-N 2 2 381.549 3.560 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N(C3CCCCC3)C3CCCCC3)CC[C@H]21 ZINC000483482348 859404410 /nfs/dbraw/zinc/40/44/10/859404410.db2.gz AWFOHGYKNUEXRQ-SIKLNZKXSA-N 2 2 375.601 3.897 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N(C3CCCCC3)C3CCCCC3)CC[C@H]21 ZINC000483482348 859404411 /nfs/dbraw/zinc/40/44/11/859404411.db2.gz AWFOHGYKNUEXRQ-SIKLNZKXSA-N 2 2 375.601 3.897 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)CC[C@H]21 ZINC000483482348 859404413 /nfs/dbraw/zinc/40/44/13/859404413.db2.gz AWFOHGYKNUEXRQ-SIKLNZKXSA-N 2 2 375.601 3.897 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)CC[C@H]21 ZINC000483482348 859404416 /nfs/dbraw/zinc/40/44/16/859404416.db2.gz AWFOHGYKNUEXRQ-SIKLNZKXSA-N 2 2 375.601 3.897 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000895448674 859493023 /nfs/dbraw/zinc/49/30/23/859493023.db2.gz JNNUJFORYHIWMI-SFHVURJKSA-N 2 2 399.560 3.712 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000895448674 859493030 /nfs/dbraw/zinc/49/30/30/859493030.db2.gz JNNUJFORYHIWMI-SFHVURJKSA-N 2 2 399.560 3.712 20 0 GHADLP CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543397767 859566114 /nfs/dbraw/zinc/56/61/14/859566114.db2.gz FXWNCUIDRWUVOT-UHFFFAOYSA-N 2 2 384.505 3.793 20 0 GHADLP CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543397767 859566125 /nfs/dbraw/zinc/56/61/25/859566125.db2.gz FXWNCUIDRWUVOT-UHFFFAOYSA-N 2 2 384.505 3.793 20 0 GHADLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCc1cccc(C(F)(F)F)c1C ZINC001168535469 859721596 /nfs/dbraw/zinc/72/15/96/859721596.db2.gz VSGWHWUORWBCQK-UHFFFAOYSA-N 2 2 393.457 3.899 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(OC(F)(F)F)c1 ZINC000484142637 859830863 /nfs/dbraw/zinc/83/08/63/859830863.db2.gz SNNCADVMCUXXEB-JXFKEZNVSA-N 2 2 394.437 3.873 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC(F)(F)F)c1 ZINC000484142637 859830870 /nfs/dbraw/zinc/83/08/70/859830870.db2.gz SNNCADVMCUXXEB-JXFKEZNVSA-N 2 2 394.437 3.873 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@H]1CO)CCC2 ZINC000484152148 859839116 /nfs/dbraw/zinc/83/91/16/859839116.db2.gz OVNUWXJJFQCVRA-TUACAJSNSA-N 2 2 380.532 3.545 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1CO)CCC2 ZINC000484152148 859839117 /nfs/dbraw/zinc/83/91/17/859839117.db2.gz OVNUWXJJFQCVRA-TUACAJSNSA-N 2 2 380.532 3.545 20 0 GHADLP CN(C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)C(=O)OC(C)(C)C ZINC000727138091 859946703 /nfs/dbraw/zinc/94/67/03/859946703.db2.gz OWSIDJOFSNRNJJ-LJQANCHMSA-N 2 2 384.524 3.951 20 0 GHADLP CN(C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)C(=O)OC(C)(C)C ZINC000727138091 859946708 /nfs/dbraw/zinc/94/67/08/859946708.db2.gz OWSIDJOFSNRNJJ-LJQANCHMSA-N 2 2 384.524 3.951 20 0 GHADLP COc1ccc([C@@H](CNc2cc[nH+]c3cc(OC)ccc23)[NH+]2CCOCC2)cc1 ZINC000765451660 859980261 /nfs/dbraw/zinc/98/02/61/859980261.db2.gz CSZLWRROSRAKQJ-HSZRJFAPSA-N 2 2 393.487 3.737 20 0 GHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)o1 ZINC000115614275 860058695 /nfs/dbraw/zinc/05/86/95/860058695.db2.gz FFRCWADXRBDRCB-UHFFFAOYSA-N 2 2 394.494 3.831 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474459244 860129711 /nfs/dbraw/zinc/12/97/11/860129711.db2.gz JJBQPWLYBPEUTB-DQEVTTJGSA-N 2 2 390.980 3.902 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474459244 860129716 /nfs/dbraw/zinc/12/97/16/860129716.db2.gz JJBQPWLYBPEUTB-DQEVTTJGSA-N 2 2 390.980 3.902 20 0 GHADLP C/C(=C\C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000727862308 860300557 /nfs/dbraw/zinc/30/05/57/860300557.db2.gz IPTSSWGZMFDZKG-FOCLMDBBSA-N 2 2 397.485 3.593 20 0 GHADLP C/C(=C\C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000727862308 860300561 /nfs/dbraw/zinc/30/05/61/860300561.db2.gz IPTSSWGZMFDZKG-FOCLMDBBSA-N 2 2 397.485 3.593 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(-n2cccn2)c1 ZINC000508976786 860368490 /nfs/dbraw/zinc/36/84/90/860368490.db2.gz KBZBXUAJXAFVEQ-OAQYLSRUSA-N 2 2 389.547 3.735 20 0 GHADLP Cc1nc2sc3c(c2c(NCC[NH+]2CCC([NH+](C)C)CC2)n1)CC[C@@H](C)C3 ZINC000484814170 860383502 /nfs/dbraw/zinc/38/35/02/860383502.db2.gz OCRCZEXZSBNLTD-CQSZACIVSA-N 2 2 387.597 3.562 20 0 GHADLP C[C@@H]1C[C@H](c2ccccc2)N(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000498416188 860413417 /nfs/dbraw/zinc/41/34/17/860413417.db2.gz XLYRHUPKGNBMMB-IFMALSPDSA-N 2 2 398.595 3.729 20 0 GHADLP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000603002060 860414580 /nfs/dbraw/zinc/41/45/80/860414580.db2.gz FWTBWMWXYPIOCN-JOCHJYFZSA-N 2 2 395.551 3.806 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@@H]3CC[C@@H](C(F)(F)F)O3)CC2)cc1 ZINC000922677490 860464443 /nfs/dbraw/zinc/46/44/43/860464443.db2.gz PABAZIIPQYPFQY-OALUTQOASA-N 2 2 385.474 3.811 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000904639741 860540678 /nfs/dbraw/zinc/54/06/78/860540678.db2.gz LMOKONOXKHYFET-MSOLQXFVSA-N 2 2 376.863 3.505 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000904639741 860540684 /nfs/dbraw/zinc/54/06/84/860540684.db2.gz LMOKONOXKHYFET-MSOLQXFVSA-N 2 2 376.863 3.505 20 0 GHADLP CC(C)Sc1cccc(Cl)c1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000474712002 860655483 /nfs/dbraw/zinc/65/54/83/860655483.db2.gz JQNJBUCMJHNFHM-UHFFFAOYSA-N 2 2 398.016 3.873 20 0 GHADLP CC(C)c1noc([C@@H](C)[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)n1 ZINC000856598322 881571690 /nfs/dbraw/zinc/57/16/90/881571690.db2.gz HOWPXUNUJXYQNI-APWZRJJASA-N 2 2 387.528 3.643 20 0 GHADLP CC(C)c1noc([C@@H](C)[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)n1 ZINC000856598322 881571699 /nfs/dbraw/zinc/57/16/99/881571699.db2.gz HOWPXUNUJXYQNI-APWZRJJASA-N 2 2 387.528 3.643 20 0 GHADLP CC(C)c1noc([C@@H](C)[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)n1 ZINC000856598322 881571707 /nfs/dbraw/zinc/57/17/07/881571707.db2.gz HOWPXUNUJXYQNI-APWZRJJASA-N 2 2 387.528 3.643 20 0 GHADLP CC(C)c1noc([C@@H](C)[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)n1 ZINC000856598322 881571719 /nfs/dbraw/zinc/57/17/19/881571719.db2.gz HOWPXUNUJXYQNI-APWZRJJASA-N 2 2 387.528 3.643 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000192623725 860900956 /nfs/dbraw/zinc/90/09/56/860900956.db2.gz BZXHJVWJCMQYIA-SFHVURJKSA-N 2 2 396.572 3.576 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000192623725 860900970 /nfs/dbraw/zinc/90/09/70/860900970.db2.gz BZXHJVWJCMQYIA-SFHVURJKSA-N 2 2 396.572 3.576 20 0 GHADLP Cc1[nH]c(C2CCN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CC2)[nH+]c1C ZINC000899505826 860970307 /nfs/dbraw/zinc/97/03/07/860970307.db2.gz IEKRMDMMGBSAJR-UHFFFAOYSA-N 2 2 375.476 3.607 20 0 GHADLP CCC1(CC)CCCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000189182633 881669514 /nfs/dbraw/zinc/66/95/14/881669514.db2.gz HCNSZZXAAYRODT-UHFFFAOYSA-N 2 2 378.605 3.547 20 0 GHADLP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494405126 881680620 /nfs/dbraw/zinc/68/06/20/881680620.db2.gz LZVIZWPNZXQWSS-HXUWFJFHSA-N 2 2 387.462 3.980 20 0 GHADLP Brc1cccc(-c2nc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)cs2)c1 ZINC000494408031 881685472 /nfs/dbraw/zinc/68/54/72/881685472.db2.gz BSEABDVZVKMQLS-CQSZACIVSA-N 2 2 389.322 3.874 20 0 GHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000606582926 863732301 /nfs/dbraw/zinc/73/23/01/863732301.db2.gz JCPXXZUYBDQLHI-UHFFFAOYSA-N 2 2 377.492 3.888 20 0 GHADLP C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158589143 863881384 /nfs/dbraw/zinc/88/13/84/863881384.db2.gz ZRXTVSDLIXZWHR-FDDCHVKYSA-N 2 2 394.494 3.736 20 0 GHADLP C[C@H]1C[NH+](Cc2cccc(NC(=O)c3sccc3C[NH+](C)C)c2)C[C@H](C)O1 ZINC000532298832 881714341 /nfs/dbraw/zinc/71/43/41/881714341.db2.gz QORMMDDJIRZVGD-HOTGVXAUSA-N 2 2 387.549 3.671 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CCN(c5cccc[nH+]5)CC4)C[C@@H]3C2)cc1 ZINC000898522935 864089719 /nfs/dbraw/zinc/08/97/19/864089719.db2.gz VZXKFKZXGIXPFJ-WMTXJRDZSA-N 3 2 390.575 3.941 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CCN(c5cccc[nH+]5)CC4)C[C@@H]3C2)cc1 ZINC000898522935 864089736 /nfs/dbraw/zinc/08/97/36/864089736.db2.gz VZXKFKZXGIXPFJ-WMTXJRDZSA-N 3 2 390.575 3.941 20 0 GHADLP COCCN(C)c1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cn1 ZINC000480283902 864425107 /nfs/dbraw/zinc/42/51/07/864425107.db2.gz AHHHVVMAXYBXJT-JOCHJYFZSA-N 2 2 393.535 3.509 20 0 GHADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000159235021 864433573 /nfs/dbraw/zinc/43/35/73/864433573.db2.gz BHFFCFPWNDEAQH-GOSISDBHSA-N 2 2 399.539 3.594 20 0 GHADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000159235021 864433580 /nfs/dbraw/zinc/43/35/80/864433580.db2.gz BHFFCFPWNDEAQH-GOSISDBHSA-N 2 2 399.539 3.594 20 0 GHADLP CC(C)c1ccc(/C=C\CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000494478754 881775888 /nfs/dbraw/zinc/77/58/88/881775888.db2.gz IREJSJUDCXNUIX-PLNGDYQASA-N 2 2 383.580 3.888 20 0 GHADLP Cc1cccn2cc(COc3ccc(C[NH2+]C[C@H](C)Cn4cc[nH+]c4)cc3)nc12 ZINC000063319195 864570280 /nfs/dbraw/zinc/57/02/80/864570280.db2.gz MYFQEUOYXGGBBV-SFHVURJKSA-N 2 2 389.503 3.844 20 0 GHADLP COc1cc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)ccc1OCC(F)(F)F ZINC000608067690 864959061 /nfs/dbraw/zinc/95/90/61/864959061.db2.gz MRSDLNYIHIIEHD-OAHLLOKOSA-N 2 2 383.414 3.808 20 0 GHADLP COc1cc2c(cc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)O[C@H](C)C2 ZINC000608069572 864960303 /nfs/dbraw/zinc/96/03/03/864960303.db2.gz CKRSSQLNDVNSON-OXQOHEQNSA-N 2 2 377.488 3.826 20 0 GHADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc(C)c1F ZINC000480604291 864961848 /nfs/dbraw/zinc/96/18/48/864961848.db2.gz FPLOPEDBCDPJGJ-GOSISDBHSA-N 2 2 383.511 3.681 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000444343944 864978436 /nfs/dbraw/zinc/97/84/36/864978436.db2.gz NOWIILGEESBFDJ-QRWLVFNGSA-N 2 2 397.548 3.905 20 0 GHADLP CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665625611 865021432 /nfs/dbraw/zinc/02/14/32/865021432.db2.gz IFYMGUXCOCBSBD-HDICACEKSA-N 2 2 390.572 3.538 20 0 GHADLP CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665625611 865021443 /nfs/dbraw/zinc/02/14/43/865021443.db2.gz IFYMGUXCOCBSBD-HDICACEKSA-N 2 2 390.572 3.538 20 0 GHADLP CCC[NH+](C)CC(C)(C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665625611 865021460 /nfs/dbraw/zinc/02/14/60/865021460.db2.gz IFYMGUXCOCBSBD-HDICACEKSA-N 2 2 390.572 3.538 20 0 GHADLP CCC[NH+](C)CC(C)(C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665625611 865021473 /nfs/dbraw/zinc/02/14/73/865021473.db2.gz IFYMGUXCOCBSBD-HDICACEKSA-N 2 2 390.572 3.538 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000554841339 865031124 /nfs/dbraw/zinc/03/11/24/865031124.db2.gz BRJOIMLIJBGJGW-HSZRJFAPSA-N 2 2 391.559 3.856 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000554841339 865031131 /nfs/dbraw/zinc/03/11/31/865031131.db2.gz BRJOIMLIJBGJGW-HSZRJFAPSA-N 2 2 391.559 3.856 20 0 GHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(Br)ccc1Br ZINC000480704851 865118357 /nfs/dbraw/zinc/11/83/57/865118357.db2.gz GRSQALNFNDQGNR-IINYFYTJSA-N 2 2 376.136 3.641 20 0 GHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(Br)ccc1Br ZINC000480704851 865118364 /nfs/dbraw/zinc/11/83/64/865118364.db2.gz GRSQALNFNDQGNR-IINYFYTJSA-N 2 2 376.136 3.641 20 0 GHADLP CC[NH+](CC)CCC[C@H](C)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000171199894 865174419 /nfs/dbraw/zinc/17/44/19/865174419.db2.gz BMTYPSUBUPRFSX-SFHVURJKSA-N 2 2 396.579 3.853 20 0 GHADLP CC[NH+](CC)CCC[C@H](C)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000171199894 865174426 /nfs/dbraw/zinc/17/44/26/865174426.db2.gz BMTYPSUBUPRFSX-SFHVURJKSA-N 2 2 396.579 3.853 20 0 GHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[N@H+](C)CC2)n1 ZINC000301128357 865175968 /nfs/dbraw/zinc/17/59/68/865175968.db2.gz VVOMERQIRKACOE-UHFFFAOYSA-N 2 2 381.549 3.562 20 0 GHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[N@@H+](C)CC2)n1 ZINC000301128357 865175972 /nfs/dbraw/zinc/17/59/72/865175972.db2.gz VVOMERQIRKACOE-UHFFFAOYSA-N 2 2 381.549 3.562 20 0 GHADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000494529156 881853938 /nfs/dbraw/zinc/85/39/38/881853938.db2.gz GWCWAGUEISQTNJ-BAGYTPMASA-N 2 2 395.551 3.675 20 0 GHADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000494529156 881853952 /nfs/dbraw/zinc/85/39/52/881853952.db2.gz GWCWAGUEISQTNJ-BAGYTPMASA-N 2 2 395.551 3.675 20 0 GHADLP C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608407902 865289955 /nfs/dbraw/zinc/28/99/55/865289955.db2.gz KGWFTERZIVKXMC-FPOVZHCZSA-N 2 2 397.567 3.515 20 0 GHADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608407902 865289964 /nfs/dbraw/zinc/28/99/64/865289964.db2.gz KGWFTERZIVKXMC-FPOVZHCZSA-N 2 2 397.567 3.515 20 0 GHADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608428972 865327383 /nfs/dbraw/zinc/32/73/83/865327383.db2.gz GQRKYABLUBSKCJ-RTWAWAEBSA-N 2 2 397.567 3.658 20 0 GHADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608428972 865327400 /nfs/dbraw/zinc/32/74/00/865327400.db2.gz GQRKYABLUBSKCJ-RTWAWAEBSA-N 2 2 397.567 3.658 20 0 GHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3cccc(C[NH+](C)C)c3)CC2)c1 ZINC000171722913 865345326 /nfs/dbraw/zinc/34/53/26/865345326.db2.gz NRZRQLSLBJDWMW-GOSISDBHSA-N 2 2 396.535 3.668 20 0 GHADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(-c4c(F)cccc4F)o3)cn2)CC1 ZINC000172036056 865465119 /nfs/dbraw/zinc/46/51/19/865465119.db2.gz MBDHVFXGOYVZBT-UHFFFAOYSA-N 2 2 398.457 3.661 20 0 GHADLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000481053368 865747540 /nfs/dbraw/zinc/74/75/40/865747540.db2.gz JKNOKBHXUKZFSW-JEBQAFNWSA-N 2 2 393.318 3.878 20 0 GHADLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000481053368 865747546 /nfs/dbraw/zinc/74/75/46/865747546.db2.gz JKNOKBHXUKZFSW-JEBQAFNWSA-N 2 2 393.318 3.878 20 0 GHADLP NC(=O)c1c[nH+]ccc1NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000302226314 865774754 /nfs/dbraw/zinc/77/47/54/865774754.db2.gz PKAHSVIDKGEQBQ-UHFFFAOYSA-N 2 2 379.291 3.564 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCCC1=CCCCC1 ZINC000481167537 865908407 /nfs/dbraw/zinc/90/84/07/865908407.db2.gz GYROCPAAYCRBQN-ZRCGQRJVSA-N 2 2 383.580 3.882 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCCC1=CCCCC1 ZINC000481167537 865908414 /nfs/dbraw/zinc/90/84/14/865908414.db2.gz GYROCPAAYCRBQN-ZRCGQRJVSA-N 2 2 383.580 3.882 20 0 GHADLP CC(C)c1nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc(C(C)(C)C)n1 ZINC000302816445 865937409 /nfs/dbraw/zinc/93/74/09/865937409.db2.gz BTWIJEKBOHJEHH-DFNIBXOVSA-N 2 2 385.600 3.645 20 0 GHADLP CC(C)c1nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc(C(C)(C)C)n1 ZINC000302816445 865937420 /nfs/dbraw/zinc/93/74/20/865937420.db2.gz BTWIJEKBOHJEHH-DFNIBXOVSA-N 2 2 385.600 3.645 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000481185668 865953543 /nfs/dbraw/zinc/95/35/43/865953543.db2.gz WRWNTOSYDQPMBM-SPEDKVCISA-N 2 2 383.511 3.961 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000481185668 865953546 /nfs/dbraw/zinc/95/35/46/865953546.db2.gz WRWNTOSYDQPMBM-SPEDKVCISA-N 2 2 383.511 3.961 20 0 GHADLP CC(C)[C@@H](CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000552970183 866543560 /nfs/dbraw/zinc/54/35/60/866543560.db2.gz NCMRXCCAKNXGOO-LEWJYISDSA-N 2 2 382.552 3.804 20 0 GHADLP CN(C(=O)NCC1(C)CCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534385467 866659990 /nfs/dbraw/zinc/65/99/90/866659990.db2.gz SWHRPPNJWTVINZ-UXHICEINSA-N 2 2 378.605 3.545 20 0 GHADLP CN(C(=O)NCC1(C)CCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534385467 866660000 /nfs/dbraw/zinc/66/00/00/866660000.db2.gz SWHRPPNJWTVINZ-UXHICEINSA-N 2 2 378.605 3.545 20 0 GHADLP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244450 866668712 /nfs/dbraw/zinc/66/87/12/866668712.db2.gz BVJOXDQEIUVQNJ-INIZCTEOSA-N 2 2 387.553 3.731 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)([NH+]2CCCCC2)CC1 ZINC000534419987 866765523 /nfs/dbraw/zinc/76/55/23/866765523.db2.gz AEOFGHUWSZLVES-PWRODBHTSA-N 2 2 375.601 3.659 20 0 GHADLP Cc1cccc2nc(C[NH2+]Cc3ccccc3N(C)C3CC[NH+](C)CC3)[nH]c21 ZINC000153606517 866980304 /nfs/dbraw/zinc/98/03/04/866980304.db2.gz VNDSLMBWTKHTSX-UHFFFAOYSA-N 2 2 377.536 3.692 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153635495 866996952 /nfs/dbraw/zinc/99/69/52/866996952.db2.gz HGEJKUAPGAVOHB-QGZVFWFLSA-N 3 2 382.483 3.803 20 0 GHADLP C/C(=C/C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000742075007 867034448 /nfs/dbraw/zinc/03/44/48/867034448.db2.gz PWOGNHCNOZVCDQ-NXVVXOECSA-N 2 2 397.485 3.593 20 0 GHADLP C/C(=C/C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000742075007 867034458 /nfs/dbraw/zinc/03/44/58/867034458.db2.gz PWOGNHCNOZVCDQ-NXVVXOECSA-N 2 2 397.485 3.593 20 0 GHADLP CCCCCN(CCCCC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000523308924 867043410 /nfs/dbraw/zinc/04/34/10/867043410.db2.gz URMGWYIAMHLQJM-UHFFFAOYSA-N 2 2 380.621 3.937 20 0 GHADLP C[C@@H](Cc1cccc(Cl)c1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000153783942 867076256 /nfs/dbraw/zinc/07/62/56/867076256.db2.gz JYVALSSPQYXNAF-SFHVURJKSA-N 2 2 391.987 3.585 20 0 GHADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155156779 867776661 /nfs/dbraw/zinc/77/66/61/867776661.db2.gz GLXLPQCXYSXEDX-HSZRJFAPSA-N 2 2 396.531 3.710 20 0 GHADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCCO2 ZINC000155169708 867781963 /nfs/dbraw/zinc/78/19/63/867781963.db2.gz OMGXZVNTSNNYMH-QHCPKHFHSA-N 2 2 396.531 3.710 20 0 GHADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155180919 867789615 /nfs/dbraw/zinc/78/96/15/867789615.db2.gz ZIBWLFBDZBVAGD-XMMPIXPASA-N 2 2 396.531 3.573 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)nnn1-c1ccc(Cl)cc1 ZINC000156248034 868299985 /nfs/dbraw/zinc/29/99/85/868299985.db2.gz FBUNVPSQBPPDQQ-OAHLLOKOSA-N 2 2 396.926 3.944 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CCCC1)c1ccccc1 ZINC000535178760 868326948 /nfs/dbraw/zinc/32/69/48/868326948.db2.gz MCXNLSQEVTZGBJ-AZUAARDMSA-N 2 2 395.551 3.583 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@H]21 ZINC000539895257 869982350 /nfs/dbraw/zinc/98/23/50/869982350.db2.gz ALGNKWBIIAEKBY-QFBILLFUSA-N 2 2 389.341 3.551 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@H]21 ZINC000539895257 869982361 /nfs/dbraw/zinc/98/23/61/869982361.db2.gz ALGNKWBIIAEKBY-QFBILLFUSA-N 2 2 389.341 3.551 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@H]21 ZINC000539895257 869982373 /nfs/dbraw/zinc/98/23/73/869982373.db2.gz ALGNKWBIIAEKBY-QFBILLFUSA-N 2 2 389.341 3.551 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@H]21 ZINC000539895257 869982383 /nfs/dbraw/zinc/98/23/83/869982383.db2.gz ALGNKWBIIAEKBY-QFBILLFUSA-N 2 2 389.341 3.551 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000461471093 870256007 /nfs/dbraw/zinc/25/60/07/870256007.db2.gz MTDXNNCKHOYGJX-NRFANRHFSA-N 2 2 388.515 3.904 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000461471093 870256025 /nfs/dbraw/zinc/25/60/25/870256025.db2.gz MTDXNNCKHOYGJX-NRFANRHFSA-N 2 2 388.515 3.904 20 0 GHADLP CCOc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1OCC ZINC000248026587 870263734 /nfs/dbraw/zinc/26/37/34/870263734.db2.gz PFLCBEWPDBFMIC-KNQAVFIVSA-N 2 2 397.563 3.922 20 0 GHADLP CCOc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1OCC ZINC000248026587 870263757 /nfs/dbraw/zinc/26/37/57/870263757.db2.gz PFLCBEWPDBFMIC-KNQAVFIVSA-N 2 2 397.563 3.922 20 0 GHADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC000189239537 870293420 /nfs/dbraw/zinc/29/34/20/870293420.db2.gz MNZRYWNDEZSHJJ-UHFFFAOYSA-N 2 2 383.323 3.630 20 0 GHADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1c[nH+]c[nH]1 ZINC000189239537 870293440 /nfs/dbraw/zinc/29/34/40/870293440.db2.gz MNZRYWNDEZSHJJ-UHFFFAOYSA-N 2 2 383.323 3.630 20 0 GHADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000446822273 870460691 /nfs/dbraw/zinc/46/06/91/870460691.db2.gz VUJYSKINUQYOGZ-DNQXCXABSA-N 2 2 389.547 3.972 20 0 GHADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000446822273 870460705 /nfs/dbraw/zinc/46/07/05/870460705.db2.gz VUJYSKINUQYOGZ-DNQXCXABSA-N 2 2 389.547 3.972 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC2CC2)c(F)c1 ZINC001192576001 870507524 /nfs/dbraw/zinc/50/75/24/870507524.db2.gz ZVDJBFOZHSTBOP-UUOWRZLLSA-N 2 2 398.522 3.902 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC2CC2)c(F)c1 ZINC001192576001 870507543 /nfs/dbraw/zinc/50/75/43/870507543.db2.gz ZVDJBFOZHSTBOP-UUOWRZLLSA-N 2 2 398.522 3.902 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)c(C)c1 ZINC000540148399 870602419 /nfs/dbraw/zinc/60/24/19/870602419.db2.gz MSZIRQRBBXEOSH-GCJKJVERSA-N 2 2 387.491 3.568 20 0 GHADLP C[NH+](C)C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000552026743 870839985 /nfs/dbraw/zinc/83/99/85/870839985.db2.gz AQCOSHCGFFMEDE-GOSISDBHSA-N 2 2 382.895 3.601 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168868096 870919183 /nfs/dbraw/zinc/91/91/83/870919183.db2.gz ZXBQUZUEGFUCOD-GHTZIAJQSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168868096 870919195 /nfs/dbraw/zinc/91/91/95/870919195.db2.gz ZXBQUZUEGFUCOD-GHTZIAJQSA-N 2 2 387.568 3.981 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000463201660 871174084 /nfs/dbraw/zinc/17/40/84/871174084.db2.gz WLTKJUYWWYTYCW-WXFUMESZSA-N 2 2 385.596 3.604 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000463201660 871174115 /nfs/dbraw/zinc/17/41/15/871174115.db2.gz WLTKJUYWWYTYCW-WXFUMESZSA-N 2 2 385.596 3.604 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C1)C2 ZINC001169126075 871214670 /nfs/dbraw/zinc/21/46/70/871214670.db2.gz ORXCBVVGZZPDAB-CLAROIROSA-N 2 2 399.579 3.776 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C1)C2 ZINC001169126075 871214683 /nfs/dbraw/zinc/21/46/83/871214683.db2.gz ORXCBVVGZZPDAB-CLAROIROSA-N 2 2 399.579 3.776 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C1)C2 ZINC001169126075 871214691 /nfs/dbraw/zinc/21/46/91/871214691.db2.gz ORXCBVVGZZPDAB-CLAROIROSA-N 2 2 399.579 3.776 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C1)C2 ZINC001169126075 871214702 /nfs/dbraw/zinc/21/47/02/871214702.db2.gz ORXCBVVGZZPDAB-CLAROIROSA-N 2 2 399.579 3.776 20 0 GHADLP COC(=O)[C@@](C)([NH3+])Cc1cn(-c2cccc(C3=[NH+]CCC3)c2)c2ccccc12 ZINC001169113747 871243149 /nfs/dbraw/zinc/24/31/49/871243149.db2.gz USJILRZCCVWULA-QHCPKHFHSA-N 2 2 375.472 3.646 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)C2 ZINC001169144146 871256964 /nfs/dbraw/zinc/25/69/64/871256964.db2.gz JWCVZKXHMPZURX-CLAROIROSA-N 2 2 399.579 3.776 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)C2 ZINC001169144146 871256980 /nfs/dbraw/zinc/25/69/80/871256980.db2.gz JWCVZKXHMPZURX-CLAROIROSA-N 2 2 399.579 3.776 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)C2 ZINC001169144146 871256994 /nfs/dbraw/zinc/25/69/94/871256994.db2.gz JWCVZKXHMPZURX-CLAROIROSA-N 2 2 399.579 3.776 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)C2 ZINC001169144146 871257006 /nfs/dbraw/zinc/25/70/06/871257006.db2.gz JWCVZKXHMPZURX-CLAROIROSA-N 2 2 399.579 3.776 20 0 GHADLP CC1(C)[C@@H](C(F)(F)F)CC[NH+]1CC(O)C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000447263841 871283715 /nfs/dbraw/zinc/28/37/15/871283715.db2.gz KNGCUZLUISYSOT-STQMWFEESA-N 2 2 390.412 3.673 20 0 GHADLP CC1(C)[C@@H](C(F)(F)F)CC[NH+]1CC(O)C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000447263841 871283726 /nfs/dbraw/zinc/28/37/26/871283726.db2.gz KNGCUZLUISYSOT-STQMWFEESA-N 2 2 390.412 3.673 20 0 GHADLP CC(C)[C@@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000539089762 871288170 /nfs/dbraw/zinc/28/81/70/871288170.db2.gz GRPROXYNZIOUNQ-IOJLRTSASA-N 2 2 384.486 3.895 20 0 GHADLP CC(C)[C@@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[N@H+]1CCc2ccccc2C1 ZINC000539089762 871288180 /nfs/dbraw/zinc/28/81/80/871288180.db2.gz GRPROXYNZIOUNQ-IOJLRTSASA-N 2 2 384.486 3.895 20 0 GHADLP CCc1cnc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)s1 ZINC000544172803 871396078 /nfs/dbraw/zinc/39/60/78/871396078.db2.gz DEWDQLVLTJFPFH-UHFFFAOYSA-N 2 2 398.498 3.766 20 0 GHADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000462002790 871428007 /nfs/dbraw/zinc/42/80/07/871428007.db2.gz NDFDSRHKWBWQML-DUXKGJEZSA-N 2 2 383.540 3.531 20 0 GHADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000462002790 871428021 /nfs/dbraw/zinc/42/80/21/871428021.db2.gz NDFDSRHKWBWQML-DUXKGJEZSA-N 2 2 383.540 3.531 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH+]3CCCCCCCC3)n2)CC1 ZINC001194401932 871675256 /nfs/dbraw/zinc/67/52/56/871675256.db2.gz XWBFHOLVODGEGT-UHFFFAOYSA-N 2 2 378.586 3.970 20 0 GHADLP C[C@@H]1C[N@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C[C@]2(CCOC2)O1 ZINC001169687150 871757754 /nfs/dbraw/zinc/75/77/54/871757754.db2.gz PTDSPGWWTNUDFH-SDUSCBPUSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1C[N@@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C[C@]2(CCOC2)O1 ZINC001169687150 871757757 /nfs/dbraw/zinc/75/77/57/871757757.db2.gz PTDSPGWWTNUDFH-SDUSCBPUSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1C[NH+](C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)C[C@]2(CCOC2)O1 ZINC001169687150 871757766 /nfs/dbraw/zinc/75/77/66/871757766.db2.gz PTDSPGWWTNUDFH-SDUSCBPUSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1C[NH+](C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)C[C@]2(CCOC2)O1 ZINC001169687150 871757779 /nfs/dbraw/zinc/75/77/79/871757779.db2.gz PTDSPGWWTNUDFH-SDUSCBPUSA-N 2 2 394.559 3.782 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@@H](C)[N@H+](Cc3ccccc3)CC1)C2 ZINC000526020342 871959335 /nfs/dbraw/zinc/95/93/35/871959335.db2.gz VIXIAPIWNWNMNY-UYAOXDASSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc3ccccc3)CC1)C2 ZINC000526020342 871959342 /nfs/dbraw/zinc/95/93/42/871959342.db2.gz VIXIAPIWNWNMNY-UYAOXDASSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@@H](C)[N@H+](Cc3ccccc3)CC1)CC2 ZINC000526020342 871959355 /nfs/dbraw/zinc/95/93/55/871959355.db2.gz VIXIAPIWNWNMNY-UYAOXDASSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc3ccccc3)CC1)CC2 ZINC000526020342 871959360 /nfs/dbraw/zinc/95/93/60/871959360.db2.gz VIXIAPIWNWNMNY-UYAOXDASSA-N 2 2 394.563 3.761 20 0 GHADLP Cc1cc(Br)c(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc1Cl ZINC001194882353 872005284 /nfs/dbraw/zinc/00/52/84/872005284.db2.gz HZQPDGCINNMQIV-UHFFFAOYSA-N 2 2 390.797 3.726 20 0 GHADLP Cc1cc(Br)c(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1Cl ZINC001194882353 872005305 /nfs/dbraw/zinc/00/53/05/872005305.db2.gz HZQPDGCINNMQIV-UHFFFAOYSA-N 2 2 390.797 3.726 20 0 GHADLP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000447682168 872093419 /nfs/dbraw/zinc/09/34/19/872093419.db2.gz WDKLOMZRWPTTTP-IBGZPJMESA-N 2 2 384.568 3.580 20 0 GHADLP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000447682168 872093439 /nfs/dbraw/zinc/09/34/39/872093439.db2.gz WDKLOMZRWPTTTP-IBGZPJMESA-N 2 2 384.568 3.580 20 0 GHADLP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)cccc21 ZINC000447723650 872213192 /nfs/dbraw/zinc/21/31/92/872213192.db2.gz QKWUSUAIKVPKNT-NHCUHLMSSA-N 2 2 397.494 3.814 20 0 GHADLP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)cccc21 ZINC000447723650 872213205 /nfs/dbraw/zinc/21/32/05/872213205.db2.gz QKWUSUAIKVPKNT-NHCUHLMSSA-N 2 2 397.494 3.814 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1OCC(F)(F)F ZINC000093683597 872341575 /nfs/dbraw/zinc/34/15/75/872341575.db2.gz JBZSIXCUXOPEGG-QGZVFWFLSA-N 2 2 386.458 3.944 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1OCC(F)(F)F ZINC000093683597 872341588 /nfs/dbraw/zinc/34/15/88/872341588.db2.gz JBZSIXCUXOPEGG-QGZVFWFLSA-N 2 2 386.458 3.944 20 0 GHADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)C1 ZINC000478035072 872345824 /nfs/dbraw/zinc/34/58/24/872345824.db2.gz CTVGYIVSEOOGEH-OAQYLSRUSA-N 2 2 385.596 3.965 20 0 GHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)C1 ZINC000478035072 872345844 /nfs/dbraw/zinc/34/58/44/872345844.db2.gz CTVGYIVSEOOGEH-OAQYLSRUSA-N 2 2 385.596 3.965 20 0 GHADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)C1 ZINC000478035072 872345864 /nfs/dbraw/zinc/34/58/64/872345864.db2.gz CTVGYIVSEOOGEH-OAQYLSRUSA-N 2 2 385.596 3.965 20 0 GHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)C1 ZINC000478035072 872345885 /nfs/dbraw/zinc/34/58/85/872345885.db2.gz CTVGYIVSEOOGEH-OAQYLSRUSA-N 2 2 385.596 3.965 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@H]3CCCn4cc(C)[nH+]c43)c2C)cc1 ZINC000463735604 872444768 /nfs/dbraw/zinc/44/47/68/872444768.db2.gz TWJANLWVNMIVGF-HXUWFJFHSA-N 2 2 393.535 3.729 20 0 GHADLP CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000540910369 872467153 /nfs/dbraw/zinc/46/71/53/872467153.db2.gz WAMSGXHBVSNRQC-WIYYLYMNSA-N 2 2 389.503 3.565 20 0 GHADLP CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000540910369 872467162 /nfs/dbraw/zinc/46/71/62/872467162.db2.gz WAMSGXHBVSNRQC-WIYYLYMNSA-N 2 2 389.503 3.565 20 0 GHADLP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152748307 872826249 /nfs/dbraw/zinc/82/62/49/872826249.db2.gz CMEUMWUSZOZSNB-KRWDZBQOSA-N 2 2 378.289 3.941 20 0 GHADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+]2CCCC2)cc1 ZINC000527241419 872860170 /nfs/dbraw/zinc/86/01/70/872860170.db2.gz LKWKJHCVLCYKLQ-KNQAVFIVSA-N 2 2 394.563 3.900 20 0 GHADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[NH+]2CCCC2)cc1 ZINC000527241419 872860175 /nfs/dbraw/zinc/86/01/75/872860175.db2.gz LKWKJHCVLCYKLQ-KNQAVFIVSA-N 2 2 394.563 3.900 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000448120801 872879533 /nfs/dbraw/zinc/87/95/33/872879533.db2.gz BEBHXZVEDRREPY-QPPBQGQZSA-N 2 2 393.575 3.878 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000448120801 872879547 /nfs/dbraw/zinc/87/95/47/872879547.db2.gz BEBHXZVEDRREPY-QPPBQGQZSA-N 2 2 393.575 3.878 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000448120801 872879558 /nfs/dbraw/zinc/87/95/58/872879558.db2.gz BEBHXZVEDRREPY-QPPBQGQZSA-N 2 2 393.575 3.878 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000448120801 872879571 /nfs/dbraw/zinc/87/95/71/872879571.db2.gz BEBHXZVEDRREPY-QPPBQGQZSA-N 2 2 393.575 3.878 20 0 GHADLP Clc1ccc(Br)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000767917872 872936643 /nfs/dbraw/zinc/93/66/43/872936643.db2.gz WVLHIVVJLOBFBX-INIZCTEOSA-N 2 2 387.749 3.836 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000191984171 882693129 /nfs/dbraw/zinc/69/31/29/882693129.db2.gz VTLWTLLHMJJVQN-BGYRXZFFSA-N 3 2 382.552 3.502 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000191984171 882693132 /nfs/dbraw/zinc/69/31/32/882693132.db2.gz VTLWTLLHMJJVQN-BGYRXZFFSA-N 3 2 382.552 3.502 20 0 GHADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000527506164 873195188 /nfs/dbraw/zinc/19/51/88/873195188.db2.gz FAPYSEZGUYGWQO-DNVCBOLYSA-N 2 2 381.358 3.848 20 0 GHADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000527506164 873195200 /nfs/dbraw/zinc/19/52/00/873195200.db2.gz FAPYSEZGUYGWQO-DNVCBOLYSA-N 2 2 381.358 3.848 20 0 GHADLP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541238874 873202055 /nfs/dbraw/zinc/20/20/55/873202055.db2.gz VOCQIFMZZXQRCB-JOCHJYFZSA-N 2 2 398.526 3.706 20 0 GHADLP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541238874 873202070 /nfs/dbraw/zinc/20/20/70/873202070.db2.gz VOCQIFMZZXQRCB-JOCHJYFZSA-N 2 2 398.526 3.706 20 0 GHADLP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)COc2cc(C)ccc2Cl)CC1 ZINC001196727642 873324312 /nfs/dbraw/zinc/32/43/12/873324312.db2.gz ILVSVNMUJOUVJK-SFHVURJKSA-N 2 2 380.960 3.729 20 0 GHADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ncc(Cl)cc1Br ZINC000527647476 873399387 /nfs/dbraw/zinc/39/93/87/873399387.db2.gz IJRWRGKVMZANPA-UHFFFAOYSA-N 2 2 398.732 3.728 20 0 GHADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccsc2Br)c2ccccc2)CC1 ZINC000527651424 873403260 /nfs/dbraw/zinc/40/32/60/873403260.db2.gz BOKJZMDOLZCPLP-KRWDZBQOSA-N 2 2 394.382 3.589 20 0 GHADLP CN1C(=O)C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1c1ccc(Cl)cc1 ZINC000541377970 873476429 /nfs/dbraw/zinc/47/64/29/873476429.db2.gz HWVKYOIVBZXCTC-HKUYNNGSSA-N 2 2 386.908 3.649 20 0 GHADLP CCN(C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1)CC(F)(F)F ZINC000192055394 882727927 /nfs/dbraw/zinc/72/79/27/882727927.db2.gz ANUZWYHKRAERMR-QGZVFWFLSA-N 2 2 380.458 3.887 20 0 GHADLP CCN(C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1)CC(F)(F)F ZINC000192055394 882727938 /nfs/dbraw/zinc/72/79/38/882727938.db2.gz ANUZWYHKRAERMR-QGZVFWFLSA-N 2 2 380.458 3.887 20 0 GHADLP Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)nc1 ZINC000192088683 882756254 /nfs/dbraw/zinc/75/62/54/882756254.db2.gz HHFBANNOKLEEIJ-UHFFFAOYSA-N 2 2 389.503 3.735 20 0 GHADLP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000541534822 873823822 /nfs/dbraw/zinc/82/38/22/873823822.db2.gz XSPCMBHIIUESJV-NQIIRXRSSA-N 2 2 382.508 3.520 20 0 GHADLP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000541534822 873823830 /nfs/dbraw/zinc/82/38/30/873823830.db2.gz XSPCMBHIIUESJV-NQIIRXRSSA-N 2 2 382.508 3.520 20 0 GHADLP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC001197581953 873924626 /nfs/dbraw/zinc/92/46/26/873924626.db2.gz DZFSLFFAQPSSKC-GOSISDBHSA-N 2 2 381.358 3.823 20 0 GHADLP CC(C)[C@@H](CC1CCCC1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460486455 882792972 /nfs/dbraw/zinc/79/29/72/882792972.db2.gz CVAYMOMZIAGIKC-OAQYLSRUSA-N 2 2 377.617 3.905 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)n2)cc1 ZINC001198007614 874158309 /nfs/dbraw/zinc/15/83/09/874158309.db2.gz NQNZXAAVVDWODX-UHFFFAOYSA-N 2 2 394.441 3.736 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)n2)cc1 ZINC001198007614 874158311 /nfs/dbraw/zinc/15/83/11/874158311.db2.gz NQNZXAAVVDWODX-UHFFFAOYSA-N 2 2 394.441 3.736 20 0 GHADLP Cc1cccnc1[C@H](NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1)C1CC1 ZINC001198037067 874192298 /nfs/dbraw/zinc/19/22/98/874192298.db2.gz UNMQAORFCPYLIX-HSZRJFAPSA-N 2 2 394.563 3.655 20 0 GHADLP Cc1cccnc1[C@H](NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1)C1CC1 ZINC001198037067 874192304 /nfs/dbraw/zinc/19/23/04/874192304.db2.gz UNMQAORFCPYLIX-HSZRJFAPSA-N 2 2 394.563 3.655 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000448977083 874279571 /nfs/dbraw/zinc/27/95/71/874279571.db2.gz QLQHEMQPGIPFSO-UHFFFAOYSA-N 2 2 392.758 3.745 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000448977083 874279582 /nfs/dbraw/zinc/27/95/82/874279582.db2.gz QLQHEMQPGIPFSO-UHFFFAOYSA-N 2 2 392.758 3.745 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449059377 874395213 /nfs/dbraw/zinc/39/52/13/874395213.db2.gz ABAXAQLXXBFOPN-SFHVURJKSA-N 2 2 398.547 3.898 20 0 GHADLP Clc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CCOC4(CCC4)C3)CC2)c1 ZINC000449129012 874513323 /nfs/dbraw/zinc/51/33/23/874513323.db2.gz UMNMWIKBTQVQNA-IBGZPJMESA-N 2 2 377.960 3.543 20 0 GHADLP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Cl)cc1F ZINC000541913745 874513772 /nfs/dbraw/zinc/51/37/72/874513772.db2.gz WNWFTYNXYOFKIW-RBUKOAKNSA-N 2 2 383.939 3.709 20 0 GHADLP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Cl)cc1F ZINC000541913745 874513785 /nfs/dbraw/zinc/51/37/85/874513785.db2.gz WNWFTYNXYOFKIW-RBUKOAKNSA-N 2 2 383.939 3.709 20 0 GHADLP COC(=O)COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000192190983 882836212 /nfs/dbraw/zinc/83/62/12/882836212.db2.gz VXLLVESABVPVGA-KRWDZBQOSA-N 2 2 379.460 3.583 20 0 GHADLP CC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808663 874530953 /nfs/dbraw/zinc/53/09/53/874530953.db2.gz LWTQWYIAGBEFKU-TZIWHRDSSA-N 2 2 386.584 3.657 20 0 GHADLP CC[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808663 874530961 /nfs/dbraw/zinc/53/09/61/874530961.db2.gz LWTQWYIAGBEFKU-TZIWHRDSSA-N 2 2 386.584 3.657 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000770349106 874634900 /nfs/dbraw/zinc/63/49/00/874634900.db2.gz BPVPLGGUDLFGPL-PXNSSMCTSA-N 2 2 390.934 3.948 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000770349106 874634903 /nfs/dbraw/zinc/63/49/03/874634903.db2.gz BPVPLGGUDLFGPL-PXNSSMCTSA-N 2 2 390.934 3.948 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000770349106 874634905 /nfs/dbraw/zinc/63/49/05/874634905.db2.gz BPVPLGGUDLFGPL-PXNSSMCTSA-N 2 2 390.934 3.948 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000770349106 874634907 /nfs/dbraw/zinc/63/49/07/874634907.db2.gz BPVPLGGUDLFGPL-PXNSSMCTSA-N 2 2 390.934 3.948 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@H](O)CCOCc2ccccc2)C1 ZINC001198791803 874636611 /nfs/dbraw/zinc/63/66/11/874636611.db2.gz YZMNTBPGLCTNPK-SFTDATJTSA-N 2 2 385.552 3.785 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@H](O)CCOCc2ccccc2)C1 ZINC001198791803 874636616 /nfs/dbraw/zinc/63/66/16/874636616.db2.gz YZMNTBPGLCTNPK-SFTDATJTSA-N 2 2 385.552 3.785 20 0 GHADLP CN(CC[N@H+](C)Cc1cnc(-c2c(F)cccc2F)s1)C1CC[NH+](C)CC1 ZINC000449326362 874708656 /nfs/dbraw/zinc/70/86/56/874708656.db2.gz VAGNEOPKRJKWHB-UHFFFAOYSA-N 2 2 394.535 3.546 20 0 GHADLP CN(CC[N@@H+](C)Cc1cnc(-c2c(F)cccc2F)s1)C1CC[NH+](C)CC1 ZINC000449326362 874708662 /nfs/dbraw/zinc/70/86/62/874708662.db2.gz VAGNEOPKRJKWHB-UHFFFAOYSA-N 2 2 394.535 3.546 20 0 GHADLP COc1nsc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1Cl ZINC001199237555 874866542 /nfs/dbraw/zinc/86/65/42/874866542.db2.gz DPWHBLWZNKGJCJ-OKILXGFUSA-N 2 2 395.956 3.704 20 0 GHADLP COc1nsc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1Cl ZINC001199237555 874866552 /nfs/dbraw/zinc/86/65/52/874866552.db2.gz DPWHBLWZNKGJCJ-OKILXGFUSA-N 2 2 395.956 3.704 20 0 GHADLP COc1nc(Cl)c(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC001199308911 874903483 /nfs/dbraw/zinc/90/34/83/874903483.db2.gz AWUJNNCXWAOQCT-IYBDPMFKSA-N 2 2 390.959 3.850 20 0 GHADLP COc1nc(Cl)c(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC001199308911 874903486 /nfs/dbraw/zinc/90/34/86/874903486.db2.gz AWUJNNCXWAOQCT-IYBDPMFKSA-N 2 2 390.959 3.850 20 0 GHADLP CCc1cc(OC)ccc1C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449525026 875003488 /nfs/dbraw/zinc/00/34/88/875003488.db2.gz QIHLCFPATVHUJO-UHFFFAOYSA-N 2 2 395.547 3.970 20 0 GHADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000529006208 875401243 /nfs/dbraw/zinc/40/12/43/875401243.db2.gz AWHJATIFFWUUPB-PKOBYXMFSA-N 2 2 392.906 3.714 20 0 GHADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000529006208 875401257 /nfs/dbraw/zinc/40/12/57/875401257.db2.gz AWHJATIFFWUUPB-PKOBYXMFSA-N 2 2 392.906 3.714 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)C2 ZINC000476727797 882940171 /nfs/dbraw/zinc/94/01/71/882940171.db2.gz KNKPCZIRBPNLBO-KNQAVFIVSA-N 2 2 396.579 3.911 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C)C2 ZINC000476727797 882940200 /nfs/dbraw/zinc/94/02/00/882940200.db2.gz KNKPCZIRBPNLBO-KNQAVFIVSA-N 2 2 396.579 3.911 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)CC2 ZINC000476727797 882940213 /nfs/dbraw/zinc/94/02/13/882940213.db2.gz KNKPCZIRBPNLBO-KNQAVFIVSA-N 2 2 396.579 3.911 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C)CC2 ZINC000476727797 882940222 /nfs/dbraw/zinc/94/02/22/882940222.db2.gz KNKPCZIRBPNLBO-KNQAVFIVSA-N 2 2 396.579 3.911 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3ccccc3OCC(F)F)[nH+]c2)CC1 ZINC001201273307 875607069 /nfs/dbraw/zinc/60/70/69/875607069.db2.gz NGZGVXFLZPIXKF-UHFFFAOYSA-N 2 2 390.478 3.868 20 0 GHADLP COC(=O)c1sc2c(c1Nc1ccc(N)[nH+]c1)CC[N@@H+](Cc1ccccc1)C2 ZINC001201278779 875612143 /nfs/dbraw/zinc/61/21/43/875612143.db2.gz GFYUBUWOPHWUGB-UHFFFAOYSA-N 2 2 394.500 3.814 20 0 GHADLP COC(=O)c1sc2c(c1Nc1ccc(N)[nH+]c1)CC[N@H+](Cc1ccccc1)C2 ZINC001201278779 875612145 /nfs/dbraw/zinc/61/21/45/875612145.db2.gz GFYUBUWOPHWUGB-UHFFFAOYSA-N 2 2 394.500 3.814 20 0 GHADLP Cc1ccc2c(CC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)coc2c1C ZINC000172755125 875901367 /nfs/dbraw/zinc/90/13/67/875901367.db2.gz PKYQAXYUAFDPPL-UHFFFAOYSA-N 2 2 397.563 3.659 20 0 GHADLP c1ccc(C[C@@H]2CC[C@H]([NH2+]Cc3ccc(OCC[NH+]4CCOCC4)cc3)C2)cc1 ZINC001202056438 875982279 /nfs/dbraw/zinc/98/22/79/875982279.db2.gz ABVYHEVHYCCGCH-ZEQRLZLVSA-N 2 2 394.559 3.899 20 0 GHADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OCC[NH+]3CCOCC3)cc1)CCC2 ZINC001202279656 876100758 /nfs/dbraw/zinc/10/07/58/876100758.db2.gz JHZBUZNRMRGBAP-HSZRJFAPSA-N 2 2 384.495 3.704 20 0 GHADLP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1OC ZINC000179507346 883005854 /nfs/dbraw/zinc/00/58/54/883005854.db2.gz KDXAEPLMALQNTC-JQVVWYNYSA-N 2 2 397.563 3.778 20 0 GHADLP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1OC ZINC000179507346 883005872 /nfs/dbraw/zinc/00/58/72/883005872.db2.gz KDXAEPLMALQNTC-JQVVWYNYSA-N 2 2 397.563 3.778 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccsc3C(F)(F)F)CC2)CC1 ZINC000529612047 876375749 /nfs/dbraw/zinc/37/57/49/876375749.db2.gz RVDKRQAADDZKGG-UHFFFAOYSA-N 2 2 375.504 3.759 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccsc3C(F)(F)F)CC2)CC1 ZINC000529612047 876375761 /nfs/dbraw/zinc/37/57/61/876375761.db2.gz RVDKRQAADDZKGG-UHFFFAOYSA-N 2 2 375.504 3.759 20 0 GHADLP CC(C)c1cc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)nc(C(C)C)[nH+]1 ZINC000134781206 883040036 /nfs/dbraw/zinc/04/00/36/883040036.db2.gz DSWUWCWOSNLWQS-UHFFFAOYSA-N 2 2 383.540 3.627 20 0 GHADLP CC(C)[NH+]1CCC(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)CC1 ZINC000173711476 876587150 /nfs/dbraw/zinc/58/71/50/876587150.db2.gz DHECLVSCZUDDGW-UHFFFAOYSA-N 2 2 398.576 3.760 20 0 GHADLP CC(C)[NH+]1CCC(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000173711476 876587158 /nfs/dbraw/zinc/58/71/58/876587158.db2.gz DHECLVSCZUDDGW-UHFFFAOYSA-N 2 2 398.576 3.760 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCCC[NH+]3C3CCCC3)sc2C1 ZINC000450548719 876595233 /nfs/dbraw/zinc/59/52/33/876595233.db2.gz TUVTXYARUDHPQE-KRWDZBQOSA-N 2 2 376.570 3.645 20 0 GHADLP CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3CCCC[NH+]3C3CCCC3)sc2C1 ZINC000450548719 876595249 /nfs/dbraw/zinc/59/52/49/876595249.db2.gz TUVTXYARUDHPQE-KRWDZBQOSA-N 2 2 376.570 3.645 20 0 GHADLP CC(C)[NH+]1CCc2nc(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)sc2C1 ZINC000450548719 876595260 /nfs/dbraw/zinc/59/52/60/876595260.db2.gz TUVTXYARUDHPQE-KRWDZBQOSA-N 2 2 376.570 3.645 20 0 GHADLP CC(C)[NH+]1CCc2nc(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)sc2C1 ZINC000450548719 876595268 /nfs/dbraw/zinc/59/52/68/876595268.db2.gz TUVTXYARUDHPQE-KRWDZBQOSA-N 2 2 376.570 3.645 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000450735366 876832327 /nfs/dbraw/zinc/83/23/27/876832327.db2.gz AUFPZZQITUMTNA-MNZLEMJZSA-N 2 2 380.458 3.692 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000450735366 876832337 /nfs/dbraw/zinc/83/23/37/876832337.db2.gz AUFPZZQITUMTNA-MNZLEMJZSA-N 2 2 380.458 3.692 20 0 GHADLP CCOc1ccccc1NC(=O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394825 877005878 /nfs/dbraw/zinc/00/58/78/877005878.db2.gz VYMXBWZWASOCTO-UHFFFAOYSA-N 2 2 396.535 3.657 20 0 GHADLP CCOc1ccccc1NC(=O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394825 877005895 /nfs/dbraw/zinc/00/58/95/877005895.db2.gz VYMXBWZWASOCTO-UHFFFAOYSA-N 2 2 396.535 3.657 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000134916833 883105626 /nfs/dbraw/zinc/10/56/26/883105626.db2.gz ZIWLUIJHNOWWHQ-YHYVQYDKSA-N 2 2 385.527 3.578 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000134916833 883105632 /nfs/dbraw/zinc/10/56/32/883105632.db2.gz ZIWLUIJHNOWWHQ-YHYVQYDKSA-N 2 2 385.527 3.578 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000134916833 883105639 /nfs/dbraw/zinc/10/56/39/883105639.db2.gz ZIWLUIJHNOWWHQ-YHYVQYDKSA-N 2 2 385.527 3.578 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000134916833 883105645 /nfs/dbraw/zinc/10/56/45/883105645.db2.gz ZIWLUIJHNOWWHQ-YHYVQYDKSA-N 2 2 385.527 3.578 20 0 GHADLP CC(C)Oc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1Cl ZINC000551529046 877385739 /nfs/dbraw/zinc/38/57/39/877385739.db2.gz AGUXUWNYPBKGGT-QFBILLFUSA-N 2 2 395.975 3.721 20 0 GHADLP CC(C)Oc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1Cl ZINC000551529046 877385751 /nfs/dbraw/zinc/38/57/51/877385751.db2.gz AGUXUWNYPBKGGT-QFBILLFUSA-N 2 2 395.975 3.721 20 0 GHADLP Cc1ccc2nc(C[NH2+]Cc3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)cn2c1 ZINC000551573759 877462219 /nfs/dbraw/zinc/46/22/19/877462219.db2.gz BPNFANHXPTXLFV-RTBURBONSA-N 2 2 378.520 3.542 20 0 GHADLP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)cc2)CC1 ZINC000551619083 877546408 /nfs/dbraw/zinc/54/64/08/877546408.db2.gz ANHQRWQIWOJTBE-UHFFFAOYSA-N 3 2 382.533 3.697 20 0 GHADLP COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000551694897 877658579 /nfs/dbraw/zinc/65/85/79/877658579.db2.gz FNZVJQSAPGKKPI-ZCYQVOJMSA-N 2 2 394.559 3.993 20 0 GHADLP COc1cccc(C[C@@H]2CCC[N@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000551694897 877658584 /nfs/dbraw/zinc/65/85/84/877658584.db2.gz FNZVJQSAPGKKPI-ZCYQVOJMSA-N 2 2 394.559 3.993 20 0 GHADLP COc1cccc(C[C@@H]2CCC[NH+]2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000551694897 877658593 /nfs/dbraw/zinc/65/85/93/877658593.db2.gz FNZVJQSAPGKKPI-ZCYQVOJMSA-N 2 2 394.559 3.993 20 0 GHADLP COc1cccc(C[C@@H]2CCC[NH+]2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000551694897 877658603 /nfs/dbraw/zinc/65/86/03/877658603.db2.gz FNZVJQSAPGKKPI-ZCYQVOJMSA-N 2 2 394.559 3.993 20 0 GHADLP O=C(CC[NH2+]C1(c2ccccc2)CCCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000477654601 877998187 /nfs/dbraw/zinc/99/81/87/877998187.db2.gz PHAPGFOKOKOECK-UHFFFAOYSA-N 2 2 392.547 3.570 20 0 GHADLP C[C@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477655938 877999349 /nfs/dbraw/zinc/99/93/49/877999349.db2.gz WEMWMZABBVQNQN-FGTMMUONSA-N 2 2 384.524 3.619 20 0 GHADLP C[C@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477655938 877999357 /nfs/dbraw/zinc/99/93/57/877999357.db2.gz WEMWMZABBVQNQN-FGTMMUONSA-N 2 2 384.524 3.619 20 0 GHADLP O=c1oc2cc(Cl)ccc2n1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788382633 878047264 /nfs/dbraw/zinc/04/72/64/878047264.db2.gz PUKNTYFSGLUGHC-UHFFFAOYSA-N 2 2 386.883 3.618 20 0 GHADLP C[C@H]1C[C@H](c2ccccc2)CN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000176105911 878081005 /nfs/dbraw/zinc/08/10/05/878081005.db2.gz HOFWHVYELZGWIX-UNMCSNQZSA-N 2 2 398.595 3.524 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000245573931 878131069 /nfs/dbraw/zinc/13/10/69/878131069.db2.gz DBHASDUXKHIPKS-CBQOVEMMSA-N 2 2 382.527 3.690 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000245573931 878131077 /nfs/dbraw/zinc/13/10/77/878131077.db2.gz DBHASDUXKHIPKS-CBQOVEMMSA-N 2 2 382.527 3.690 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@@H](C)c3ccccc3Cl)C2)CC1 ZINC000451534776 878154138 /nfs/dbraw/zinc/15/41/38/878154138.db2.gz NPRIYDWWISSQEJ-PKOBYXMFSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@@H](C)c3ccccc3Cl)C2)CC1 ZINC000451534776 878154143 /nfs/dbraw/zinc/15/41/43/878154143.db2.gz NPRIYDWWISSQEJ-PKOBYXMFSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@@H](C)c3ccccc3Cl)C2)CC1 ZINC000451534776 878154146 /nfs/dbraw/zinc/15/41/46/878154146.db2.gz NPRIYDWWISSQEJ-PKOBYXMFSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@@H](C)c3ccccc3Cl)C2)CC1 ZINC000451534776 878154158 /nfs/dbraw/zinc/15/41/58/878154158.db2.gz NPRIYDWWISSQEJ-PKOBYXMFSA-N 2 2 377.960 3.667 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(CC([NH2+]C[C@H]3CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000788612773 878210866 /nfs/dbraw/zinc/21/08/66/878210866.db2.gz VNSFENNUJVVJFM-HXUWFJFHSA-N 2 2 385.552 3.640 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(CC([NH2+]C[C@H]3CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000788612773 878210873 /nfs/dbraw/zinc/21/08/73/878210873.db2.gz VNSFENNUJVVJFM-HXUWFJFHSA-N 2 2 385.552 3.640 20 0 GHADLP CN(C(=O)c1cc2ccccc2o1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245750430 878540833 /nfs/dbraw/zinc/54/08/33/878540833.db2.gz XJFGURUZLZLWHI-WOJBJXKFSA-N 2 2 383.536 3.842 20 0 GHADLP CN(C(=O)c1cc2ccccc2o1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245750430 878540844 /nfs/dbraw/zinc/54/08/44/878540844.db2.gz XJFGURUZLZLWHI-WOJBJXKFSA-N 2 2 383.536 3.842 20 0 GHADLP CC(C)n1ncc2cc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)c(Cl)nc21 ZINC000853093557 878810429 /nfs/dbraw/zinc/81/04/29/878810429.db2.gz MTSOHAXDOSSUKJ-MRXNPFEDSA-N 2 2 375.948 3.877 20 0 GHADLP CC(C)n1ncc2cc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)c(Cl)nc21 ZINC000853093557 878810440 /nfs/dbraw/zinc/81/04/40/878810440.db2.gz MTSOHAXDOSSUKJ-MRXNPFEDSA-N 2 2 375.948 3.877 20 0 GHADLP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1c(F)cccc1F ZINC000538130502 878911361 /nfs/dbraw/zinc/91/13/61/878911361.db2.gz ZVAGOLQFISAWEF-MRXNPFEDSA-N 2 2 387.474 3.528 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000531050252 879019708 /nfs/dbraw/zinc/01/97/08/879019708.db2.gz OCOGULNOWUHOMT-UHFFFAOYSA-N 2 2 388.515 3.884 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000538261471 879104839 /nfs/dbraw/zinc/10/48/39/879104839.db2.gz VOJUTWCUKDBBNP-KCZVDYSFSA-N 3 2 385.596 3.932 20 0 GHADLP CC1(C)CC[C@@H]2C[C@H]([NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)c3cccc1c32 ZINC000538458069 879531006 /nfs/dbraw/zinc/53/10/06/879531006.db2.gz VVYWHIVXMIMMAG-XXBNENTESA-N 2 2 397.607 3.673 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000854223474 879641658 /nfs/dbraw/zinc/64/16/58/879641658.db2.gz GATDHLDVNOKWPL-VSDWSMLSSA-N 2 2 393.531 3.618 20 0 GHADLP CC[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc2c(c1)OCCO2 ZINC000538556886 879712042 /nfs/dbraw/zinc/71/20/42/879712042.db2.gz GYGKBGDPDSYXMN-RBUKOAKNSA-N 2 2 382.508 3.556 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl)C[NH+]1CCCC1 ZINC000461403840 879751986 /nfs/dbraw/zinc/75/19/86/879751986.db2.gz CUYGYTZZJRUDAS-KRWDZBQOSA-N 2 2 378.875 3.818 20 0 GHADLP C[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000247222446 879946270 /nfs/dbraw/zinc/94/62/70/879946270.db2.gz ZBWRIUGQEVUZOL-HZEGPAAWSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247222446 879946284 /nfs/dbraw/zinc/94/62/84/879946284.db2.gz ZBWRIUGQEVUZOL-HZEGPAAWSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247629919 880033349 /nfs/dbraw/zinc/03/33/49/880033349.db2.gz URJMGURCDDRGCK-MOJGAOKDSA-N 2 2 388.515 3.759 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247629919 880033360 /nfs/dbraw/zinc/03/33/60/880033360.db2.gz URJMGURCDDRGCK-MOJGAOKDSA-N 2 2 388.515 3.759 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc4cc(Cl)cnc4o3)cc2)CC1 ZINC000648426564 880141810 /nfs/dbraw/zinc/14/18/10/880141810.db2.gz FDJBEHHGHJRJRT-UHFFFAOYSA-N 2 2 398.938 3.909 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(SCC(F)(F)F)cc1 ZINC000453269426 880706514 /nfs/dbraw/zinc/70/65/14/880706514.db2.gz RGTMHLPVZOAMLT-ZBFHGGJFSA-N 2 2 376.488 3.838 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(SCC(F)(F)F)cc1 ZINC000453269426 880706525 /nfs/dbraw/zinc/70/65/25/880706525.db2.gz RGTMHLPVZOAMLT-ZBFHGGJFSA-N 2 2 376.488 3.838 20 0 GHADLP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000643278670 912600863 /nfs/dbraw/zinc/60/08/63/912600863.db2.gz HGFHOHSGHAKFJU-YADHBBJMSA-N 2 2 395.551 3.532 20 0 GHADLP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000643278670 912600870 /nfs/dbraw/zinc/60/08/70/912600870.db2.gz HGFHOHSGHAKFJU-YADHBBJMSA-N 2 2 395.551 3.532 20 0 GHADLP C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000531943972 880764305 /nfs/dbraw/zinc/76/43/05/880764305.db2.gz MJHBRSAMOMZOJW-XMSQKQJNSA-N 2 2 378.520 3.801 20 0 GHADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000532016339 880931347 /nfs/dbraw/zinc/93/13/47/880931347.db2.gz VVONQTVUZVWDTL-FGZHOGPDSA-N 2 2 396.579 3.637 20 0 GHADLP CN(C(=O)Cc1coc2ccccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000556936879 881124438 /nfs/dbraw/zinc/12/44/38/881124438.db2.gz DDIZKWYXDHGRCO-YADHBBJMSA-N 2 2 397.563 3.771 20 0 GHADLP CN(C(=O)Cc1coc2ccccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000556936879 881124448 /nfs/dbraw/zinc/12/44/48/881124448.db2.gz DDIZKWYXDHGRCO-YADHBBJMSA-N 2 2 397.563 3.771 20 0 GHADLP COc1c(Br)cccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000187367793 881167040 /nfs/dbraw/zinc/16/70/40/881167040.db2.gz MGZHIBWNTGYOPO-AWEZNQCLSA-N 2 2 378.314 3.646 20 0 GHADLP COc1c(Br)cccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000187367793 881167044 /nfs/dbraw/zinc/16/70/44/881167044.db2.gz MGZHIBWNTGYOPO-AWEZNQCLSA-N 2 2 378.314 3.646 20 0 GHADLP FC(F)(F)COc1ccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000187572905 881232308 /nfs/dbraw/zinc/23/23/08/881232308.db2.gz MNKBYLDLXKMEJF-UHFFFAOYSA-N 2 2 376.382 3.541 20 0 GHADLP O=C(N1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c2ccccc2C1)C(F)(F)F ZINC000858533319 883179433 /nfs/dbraw/zinc/17/94/33/883179433.db2.gz RUXJNUHRQJJYMI-IEBWSBKVSA-N 2 2 395.469 3.629 20 0 GHADLP O=C(N1CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c2ccccc2C1)C(F)(F)F ZINC000858533319 883179442 /nfs/dbraw/zinc/17/94/42/883179442.db2.gz RUXJNUHRQJJYMI-IEBWSBKVSA-N 2 2 395.469 3.629 20 0 GHADLP CCn1ccnc1[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CCOCC1 ZINC000551178398 883432760 /nfs/dbraw/zinc/43/27/60/883432760.db2.gz YLXJCKHZJLTKAV-FDFHNCONSA-N 2 2 382.552 3.796 20 0 GHADLP CCn1ccnc1[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CCOCC1 ZINC000551178398 883432764 /nfs/dbraw/zinc/43/27/64/883432764.db2.gz YLXJCKHZJLTKAV-FDFHNCONSA-N 2 2 382.552 3.796 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000127925316 883532839 /nfs/dbraw/zinc/53/28/39/883532839.db2.gz SSTWUCLOOHYJCI-QFIPXVFZSA-N 2 2 389.503 3.509 20 0 GHADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000522207026 883633803 /nfs/dbraw/zinc/63/38/03/883633803.db2.gz LHFASPXLFITPSE-NHCUHLMSSA-N 2 2 397.588 3.838 20 0 GHADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000522207026 883633806 /nfs/dbraw/zinc/63/38/06/883633806.db2.gz LHFASPXLFITPSE-NHCUHLMSSA-N 2 2 397.588 3.838 20 0 GHADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000522207026 883633810 /nfs/dbraw/zinc/63/38/10/883633810.db2.gz LHFASPXLFITPSE-NHCUHLMSSA-N 2 2 397.588 3.838 20 0 GHADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000522207026 883633813 /nfs/dbraw/zinc/63/38/13/883633813.db2.gz LHFASPXLFITPSE-NHCUHLMSSA-N 2 2 397.588 3.838 20 0 GHADLP CC[NH+](CC)CCCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000194516699 883843810 /nfs/dbraw/zinc/84/38/10/883843810.db2.gz PHSYPKGCCKPZQQ-OAHLLOKOSA-N 2 2 379.549 3.853 20 0 GHADLP COc1ccccc1[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccccn1 ZINC000760447601 884100825 /nfs/dbraw/zinc/10/08/25/884100825.db2.gz YIVROBHUUNSFEO-DEOSSOPVSA-N 2 2 391.515 3.910 20 0 GHADLP Cc1cncc2cccc([NH+]3C=CC(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)C=C3)c12 ZINC001170493406 884217737 /nfs/dbraw/zinc/21/77/37/884217737.db2.gz NDLHXOSPJMAKND-LMDPOFIKSA-N 2 2 388.515 3.915 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)C2 ZINC000476239758 884308452 /nfs/dbraw/zinc/30/84/52/884308452.db2.gz RCXOELJKPVAXFK-MJGOQNOKSA-N 2 2 382.552 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)C2 ZINC000476239758 884308473 /nfs/dbraw/zinc/30/84/73/884308473.db2.gz RCXOELJKPVAXFK-MJGOQNOKSA-N 2 2 382.552 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)CC2 ZINC000476239758 884308494 /nfs/dbraw/zinc/30/84/94/884308494.db2.gz RCXOELJKPVAXFK-MJGOQNOKSA-N 2 2 382.552 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)CC2 ZINC000476239758 884308510 /nfs/dbraw/zinc/30/85/10/884308510.db2.gz RCXOELJKPVAXFK-MJGOQNOKSA-N 2 2 382.552 3.665 20 0 GHADLP c1cc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cs1 ZINC000428547134 884527942 /nfs/dbraw/zinc/52/79/42/884527942.db2.gz MVXGSPCGFXJXAI-HXUWFJFHSA-N 2 2 382.533 3.519 20 0 GHADLP c1cc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000428547134 884527950 /nfs/dbraw/zinc/52/79/50/884527950.db2.gz MVXGSPCGFXJXAI-HXUWFJFHSA-N 2 2 382.533 3.519 20 0 GHADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000898313577 884725556 /nfs/dbraw/zinc/72/55/56/884725556.db2.gz YLTYPBXBMUQCOT-MOPGFXCFSA-N 2 2 397.604 3.501 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000130609092 884870130 /nfs/dbraw/zinc/87/01/30/884870130.db2.gz IVMVJRQYLZKAJQ-UHFFFAOYSA-N 2 2 378.476 3.944 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000130609092 884870139 /nfs/dbraw/zinc/87/01/39/884870139.db2.gz IVMVJRQYLZKAJQ-UHFFFAOYSA-N 2 2 378.476 3.944 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC001183951457 912921292 /nfs/dbraw/zinc/92/12/92/912921292.db2.gz YZEIUKMZZZWZDU-JOCHJYFZSA-N 2 2 397.523 3.633 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC001183951457 912921296 /nfs/dbraw/zinc/92/12/96/912921296.db2.gz YZEIUKMZZZWZDU-JOCHJYFZSA-N 2 2 397.523 3.633 20 0 GHADLP Cc1ccc(N2CCC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000795866733 912938182 /nfs/dbraw/zinc/93/81/82/912938182.db2.gz JCDHKYGMCSHBFX-UHFFFAOYSA-N 2 2 392.591 3.719 20 0 GHADLP Cc1ccc(N2CCC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000795866733 912938198 /nfs/dbraw/zinc/93/81/98/912938198.db2.gz JCDHKYGMCSHBFX-UHFFFAOYSA-N 2 2 392.591 3.719 20 0 GHADLP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)cc(Cl)c1 ZINC001275287257 913001810 /nfs/dbraw/zinc/00/18/10/913001810.db2.gz MBVYBWNFEFNTQX-IBGZPJMESA-N 2 2 384.351 3.512 20 0 GHADLP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)cc(Cl)c1 ZINC001275287257 913001824 /nfs/dbraw/zinc/00/18/24/913001824.db2.gz MBVYBWNFEFNTQX-IBGZPJMESA-N 2 2 384.351 3.512 20 0 GHADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117636252 886087254 /nfs/dbraw/zinc/08/72/54/886087254.db2.gz PHWHGDUQEVGGPY-UHFFFAOYSA-N 2 2 392.528 3.982 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000670180164 886218438 /nfs/dbraw/zinc/21/84/38/886218438.db2.gz LGFCSBQSQPVXFI-LEWJYISDSA-N 2 2 395.551 3.530 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000670180164 886218456 /nfs/dbraw/zinc/21/84/56/886218456.db2.gz LGFCSBQSQPVXFI-LEWJYISDSA-N 2 2 395.551 3.530 20 0 GHADLP O[C@H](C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1)c1cccs1 ZINC000795930943 913025407 /nfs/dbraw/zinc/02/54/07/913025407.db2.gz VDMQCKNEXFALCP-FCHUYYIVSA-N 2 2 399.604 3.848 20 0 GHADLP O[C@H](C[C@@H]1CCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1)c1cccs1 ZINC000795930943 913025416 /nfs/dbraw/zinc/02/54/16/913025416.db2.gz VDMQCKNEXFALCP-FCHUYYIVSA-N 2 2 399.604 3.848 20 0 GHADLP C[N@@H+]1CC[C@@H](CNc2nc(N3CCCC3)cc[nH+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762575696 886451071 /nfs/dbraw/zinc/45/10/71/886451071.db2.gz YLKYFQXNLXTSAA-KXBFYZLASA-N 2 2 389.906 3.974 20 0 GHADLP C[N@H+]1CC[C@@H](CNc2nc(N3CCCC3)cc[nH+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762575696 886451084 /nfs/dbraw/zinc/45/10/84/886451084.db2.gz YLKYFQXNLXTSAA-KXBFYZLASA-N 2 2 389.906 3.974 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000125195174 886837329 /nfs/dbraw/zinc/83/73/29/886837329.db2.gz KXRSMXJYLYDDIS-ZWKOTPCHSA-N 2 2 386.561 3.966 20 0 GHADLP O[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccc(F)cc1F ZINC000747532342 886867687 /nfs/dbraw/zinc/86/76/87/886867687.db2.gz WUBNMKGQSOXTDP-GOTSBHOMSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccc(F)cc1F ZINC000747532342 886867704 /nfs/dbraw/zinc/86/77/04/886867704.db2.gz WUBNMKGQSOXTDP-GOTSBHOMSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccc(F)cc1F ZINC000747532342 886867718 /nfs/dbraw/zinc/86/77/18/886867718.db2.gz WUBNMKGQSOXTDP-GOTSBHOMSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccc(F)cc1F ZINC000747532342 886867728 /nfs/dbraw/zinc/86/77/28/886867728.db2.gz WUBNMKGQSOXTDP-GOTSBHOMSA-N 2 2 386.486 3.986 20 0 GHADLP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000237515772 886959867 /nfs/dbraw/zinc/95/98/67/886959867.db2.gz AYJCTLBBLHRBKK-BWKNWUBXSA-N 2 2 377.576 3.804 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001184251447 913099540 /nfs/dbraw/zinc/09/95/40/913099540.db2.gz LFRHCBUYSZKIRK-QRVBRYPASA-N 2 2 379.589 3.876 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCC[C@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001184251447 913099559 /nfs/dbraw/zinc/09/95/59/913099559.db2.gz LFRHCBUYSZKIRK-QRVBRYPASA-N 2 2 379.589 3.876 20 0 GHADLP COc1ccc(OC(F)(F)F)cc1CNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168496390 887106465 /nfs/dbraw/zinc/10/64/65/887106465.db2.gz RFZXXFXOQGIEIK-MRXNPFEDSA-N 2 2 395.425 3.739 20 0 GHADLP COc1ccc(OC(F)(F)F)cc1CNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168496390 887106475 /nfs/dbraw/zinc/10/64/75/887106475.db2.gz RFZXXFXOQGIEIK-MRXNPFEDSA-N 2 2 395.425 3.739 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(Cl)c(F)c1 ZINC000536626599 887787240 /nfs/dbraw/zinc/78/72/40/887787240.db2.gz LRIYTPDKVBOUQE-HNNXBMFYSA-N 2 2 389.902 3.718 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nc3ccc(Br)cc3s2)C1 ZINC000809757517 887799767 /nfs/dbraw/zinc/79/97/67/887799767.db2.gz PGWXVDWRASVARX-LLVKDONJSA-N 2 2 377.311 3.782 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3s2)C1 ZINC000809757517 887799776 /nfs/dbraw/zinc/79/97/76/887799776.db2.gz PGWXVDWRASVARX-LLVKDONJSA-N 2 2 377.311 3.782 20 0 GHADLP CC(C)CC[C@H]1CCCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000135125278 887946262 /nfs/dbraw/zinc/94/62/62/887946262.db2.gz XUYLXNKGYDWUHR-OAQYLSRUSA-N 2 2 378.605 3.545 20 0 GHADLP C[C@@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000287229074 913201053 /nfs/dbraw/zinc/20/10/53/913201053.db2.gz GOEBRJRJYPQGLL-MSOLQXFVSA-N 2 2 378.476 3.533 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000809995335 888051284 /nfs/dbraw/zinc/05/12/84/888051284.db2.gz OHNACUJOIPXLDA-GOSISDBHSA-N 2 2 380.410 3.986 20 0 GHADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000287250126 913213171 /nfs/dbraw/zinc/21/31/71/913213171.db2.gz XEPVQITVQJJSQM-UTKZUKDTSA-N 2 2 391.519 3.692 20 0 GHADLP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000287250136 913213633 /nfs/dbraw/zinc/21/36/33/913213633.db2.gz XEPVQITVQJJSQM-UWJYYQICSA-N 2 2 391.519 3.692 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)CC(F)F ZINC000865428803 888344670 /nfs/dbraw/zinc/34/46/70/888344670.db2.gz WXBRVJUHEQGXPV-HNNXBMFYSA-N 2 2 380.439 3.510 20 0 GHADLP CCOc1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1OCc1ccccc1 ZINC000729684174 888525766 /nfs/dbraw/zinc/52/57/66/888525766.db2.gz KNPPTNFCJZQAAL-VXKWHMMOSA-N 2 2 396.531 3.617 20 0 GHADLP CCOc1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1OCc1ccccc1 ZINC000729684174 888525773 /nfs/dbraw/zinc/52/57/73/888525773.db2.gz KNPPTNFCJZQAAL-VXKWHMMOSA-N 2 2 396.531 3.617 20 0 GHADLP Brc1cnc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000865848504 888609673 /nfs/dbraw/zinc/60/96/73/888609673.db2.gz JEESZKLEWYQDJO-UHFFFAOYSA-N 2 2 396.354 3.670 20 0 GHADLP CC(C)[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@H](O)c1ccccc1 ZINC000796070185 913268793 /nfs/dbraw/zinc/26/87/93/913268793.db2.gz DCQNJAHBGDMFMV-BJKOFHAPSA-N 2 2 381.564 3.547 20 0 GHADLP CC(C)[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H](O)c1ccccc1 ZINC000796070188 913269091 /nfs/dbraw/zinc/26/90/91/913269091.db2.gz DCQNJAHBGDMFMV-ZEQRLZLVSA-N 2 2 381.564 3.547 20 0 GHADLP COc1cccc([C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)N(C)C)c1 ZINC000121713475 889099369 /nfs/dbraw/zinc/09/93/69/889099369.db2.gz XSFRDFYNVBYOLR-DEOSSOPVSA-N 2 2 381.564 3.595 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000124708641 889733790 /nfs/dbraw/zinc/73/37/90/889733790.db2.gz NUQFHSAQABQUQV-LEWJYISDSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000124708641 889733801 /nfs/dbraw/zinc/73/38/01/889733801.db2.gz NUQFHSAQABQUQV-LEWJYISDSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(Cl)c1 ZINC000245890211 889945133 /nfs/dbraw/zinc/94/51/33/889945133.db2.gz OKDUEVXGTLVONY-IRXDYDNUSA-N 2 2 388.943 3.972 20 0 GHADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(Cl)c1 ZINC000245890211 889945138 /nfs/dbraw/zinc/94/51/38/889945138.db2.gz OKDUEVXGTLVONY-IRXDYDNUSA-N 2 2 388.943 3.972 20 0 GHADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)c1ccc(Br)cc1 ZINC001170672574 890496377 /nfs/dbraw/zinc/49/63/77/890496377.db2.gz ISKPLILCXCVBGU-CRAIPNDOSA-N 2 2 381.264 3.874 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2cccc(-c3ccoc3)c2)([NH+]2CCCCC2)CC1 ZINC000126438895 890535949 /nfs/dbraw/zinc/53/59/49/890535949.db2.gz YOHZXCVTFBQVKG-UHFFFAOYSA-N 2 2 381.520 3.627 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)c(C)c1 ZINC000533534461 890775192 /nfs/dbraw/zinc/77/51/92/890775192.db2.gz PRVWYCZXEPGGDW-DBQGFPOUSA-N 2 2 382.552 3.724 20 0 GHADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000533576365 890881466 /nfs/dbraw/zinc/88/14/66/890881466.db2.gz KIAJBVCQOWLMQD-OAQYLSRUSA-N 2 2 393.535 3.510 20 0 GHADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(N2CCCNC2=O)cc1 ZINC000812801533 890995236 /nfs/dbraw/zinc/99/52/36/890995236.db2.gz USDDQQSLWFQIQN-HNNXBMFYSA-N 2 2 381.505 3.704 20 0 GHADLP CN(C(=O)c1cccc2c1ccn2C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533646515 891035950 /nfs/dbraw/zinc/03/59/50/891035950.db2.gz CTLUCWDFSYHHJJ-DHIUTWEWSA-N 2 2 396.579 3.588 20 0 GHADLP CN(C(=O)c1cccc2c1ccn2C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533646515 891035959 /nfs/dbraw/zinc/03/59/59/891035959.db2.gz CTLUCWDFSYHHJJ-DHIUTWEWSA-N 2 2 396.579 3.588 20 0 GHADLP CCCCSCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648728 891043917 /nfs/dbraw/zinc/04/39/17/891043917.db2.gz QYBQPPGUHNMMQB-WOJBJXKFSA-N 2 2 383.646 3.705 20 0 GHADLP CCCCSCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648728 891043931 /nfs/dbraw/zinc/04/39/31/891043931.db2.gz QYBQPPGUHNMMQB-WOJBJXKFSA-N 2 2 383.646 3.705 20 0 GHADLP CN(C(=O)N[C@H]1CCCC1(C)C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533673975 891112757 /nfs/dbraw/zinc/11/27/57/891112757.db2.gz FYSGWVAIYXYUDA-AABGKKOBSA-N 2 2 378.605 3.544 20 0 GHADLP CN(C(=O)N[C@H]1CCCC1(C)C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533673975 891112763 /nfs/dbraw/zinc/11/27/63/891112763.db2.gz FYSGWVAIYXYUDA-AABGKKOBSA-N 2 2 378.605 3.544 20 0 GHADLP CC(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccncc1)[N@@H+]1CCc2ccccc2C1 ZINC000067185712 891222084 /nfs/dbraw/zinc/22/20/84/891222084.db2.gz QJONWOPKBWVTDU-QHCPKHFHSA-N 2 2 389.547 3.655 20 0 GHADLP CC(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccncc1)[N@H+]1CCc2ccccc2C1 ZINC000067185712 891222100 /nfs/dbraw/zinc/22/21/00/891222100.db2.gz QJONWOPKBWVTDU-QHCPKHFHSA-N 2 2 389.547 3.655 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccc(-n2ccnn2)c1 ZINC000287792446 913537740 /nfs/dbraw/zinc/53/77/40/913537740.db2.gz SVNWFMROBDOLJR-ROUUACIJSA-N 2 2 376.508 3.539 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000246836310 891313510 /nfs/dbraw/zinc/31/35/10/891313510.db2.gz BYWDEQOCDIOIGL-GBXCKJPGSA-N 3 2 378.564 3.678 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000246836310 891313528 /nfs/dbraw/zinc/31/35/28/891313528.db2.gz BYWDEQOCDIOIGL-GBXCKJPGSA-N 3 2 378.564 3.678 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C[C@@H]1C[NH3+] ZINC001205319310 913549853 /nfs/dbraw/zinc/54/98/53/913549853.db2.gz YYPURDLFHDITJJ-PWSUYJOCSA-N 2 2 381.236 3.764 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C[C@@H]1C[NH3+] ZINC001205319310 913549867 /nfs/dbraw/zinc/54/98/67/913549867.db2.gz YYPURDLFHDITJJ-PWSUYJOCSA-N 2 2 381.236 3.764 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000247968960 891404279 /nfs/dbraw/zinc/40/42/79/891404279.db2.gz HBNYSZWZKZCCNW-DQMJNTIXSA-N 2 2 375.516 3.768 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000247968960 891404282 /nfs/dbraw/zinc/40/42/82/891404282.db2.gz HBNYSZWZKZCCNW-DQMJNTIXSA-N 2 2 375.516 3.768 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1C ZINC000124328276 891405031 /nfs/dbraw/zinc/40/50/31/891405031.db2.gz LYBCKHDPNXPCBW-UHFFFAOYSA-N 2 2 388.556 3.549 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000497473092 891652212 /nfs/dbraw/zinc/65/22/12/891652212.db2.gz WHWNVGGPIHSJBT-ACRUOGEOSA-N 2 2 387.474 3.519 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000497473092 891652219 /nfs/dbraw/zinc/65/22/19/891652219.db2.gz WHWNVGGPIHSJBT-ACRUOGEOSA-N 2 2 387.474 3.519 20 0 GHADLP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000497473092 891652224 /nfs/dbraw/zinc/65/22/24/891652224.db2.gz WHWNVGGPIHSJBT-ACRUOGEOSA-N 2 2 387.474 3.519 20 0 GHADLP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000497473092 891652233 /nfs/dbraw/zinc/65/22/33/891652233.db2.gz WHWNVGGPIHSJBT-ACRUOGEOSA-N 2 2 387.474 3.519 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000645009851 913603967 /nfs/dbraw/zinc/60/39/67/913603967.db2.gz MCQZSXQXOXMQSQ-UHFFFAOYSA-N 2 2 389.503 3.854 20 0 GHADLP CCOc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000162041396 892041243 /nfs/dbraw/zinc/04/12/43/892041243.db2.gz QQVBWHANVZWUHD-LJQANCHMSA-N 2 2 384.520 3.647 20 0 GHADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000162042022 892045359 /nfs/dbraw/zinc/04/53/59/892045359.db2.gz XOFAFHBDJTYDQG-NRFANRHFSA-N 2 2 386.923 3.828 20 0 GHADLP C[NH+](C)C1(C)CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000876111013 892972728 /nfs/dbraw/zinc/97/27/28/892972728.db2.gz UUCCVLYVCQETKD-QXMMQCAPSA-N 2 2 395.551 3.674 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)CC1 ZINC000422009547 893199995 /nfs/dbraw/zinc/19/99/95/893199995.db2.gz BGIZNMUBGUGDQR-QFIPXVFZSA-N 2 2 389.559 3.584 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)CC1 ZINC000422009547 893200014 /nfs/dbraw/zinc/20/00/14/893200014.db2.gz BGIZNMUBGUGDQR-QFIPXVFZSA-N 2 2 389.559 3.584 20 0 GHADLP COc1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc2ccccc21 ZINC000933775083 893209794 /nfs/dbraw/zinc/20/97/94/893209794.db2.gz KHMBONRPRLKNSR-UHFFFAOYSA-N 2 2 396.535 3.529 20 0 GHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c2ccccc21 ZINC000562957079 893214251 /nfs/dbraw/zinc/21/42/51/893214251.db2.gz SOGBFJABMAAOOC-IXDOHACOSA-N 2 2 376.287 3.833 20 0 GHADLP FC(F)(F)c1nc2n(c1C[NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CCCC2 ZINC000876991259 893423179 /nfs/dbraw/zinc/42/31/79/893423179.db2.gz WFSPMFSGBHPAJJ-UHFFFAOYSA-N 2 2 375.398 3.714 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)cn1 ZINC000126422003 893539033 /nfs/dbraw/zinc/53/90/33/893539033.db2.gz DPAKJXGALMVKBV-AWEZNQCLSA-N 2 2 393.882 3.661 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000129564987 893638532 /nfs/dbraw/zinc/63/85/32/893638532.db2.gz FIZXTQLKYYSYAW-PXNSSMCTSA-N 2 2 386.515 3.732 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000129564987 893638544 /nfs/dbraw/zinc/63/85/44/893638544.db2.gz FIZXTQLKYYSYAW-PXNSSMCTSA-N 2 2 386.515 3.732 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[NH+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556075988 893639736 /nfs/dbraw/zinc/63/97/36/893639736.db2.gz GYJJCDMFPHSMJB-HVCNVCAESA-N 3 2 377.576 3.976 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[NH+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556075988 893639743 /nfs/dbraw/zinc/63/97/43/893639743.db2.gz GYJJCDMFPHSMJB-HVCNVCAESA-N 3 2 377.576 3.976 20 0 GHADLP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556075988 893639747 /nfs/dbraw/zinc/63/97/47/893639747.db2.gz GYJJCDMFPHSMJB-HVCNVCAESA-N 3 2 377.576 3.976 20 0 GHADLP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556075988 893639754 /nfs/dbraw/zinc/63/97/54/893639754.db2.gz GYJJCDMFPHSMJB-HVCNVCAESA-N 3 2 377.576 3.976 20 0 GHADLP Clc1cccc(N2CC[NH+](C3CC[NH+](CCc4cccnc4)CC3)CC2)c1 ZINC000459504378 893647641 /nfs/dbraw/zinc/64/76/41/893647641.db2.gz IIVQBRAYSQGSJA-UHFFFAOYSA-N 2 2 384.955 3.564 20 0 GHADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129599873 893702336 /nfs/dbraw/zinc/70/23/36/893702336.db2.gz ITMJJMXMEGXWRU-DXIQSLLYSA-N 2 2 380.536 3.593 20 0 GHADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129599873 893702344 /nfs/dbraw/zinc/70/23/44/893702344.db2.gz ITMJJMXMEGXWRU-DXIQSLLYSA-N 2 2 380.536 3.593 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000536856648 893945493 /nfs/dbraw/zinc/94/54/93/893945493.db2.gz HGDJLBGYMFTTJA-XLIONFOSSA-N 2 2 393.560 3.643 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000536856648 893945507 /nfs/dbraw/zinc/94/55/07/893945507.db2.gz HGDJLBGYMFTTJA-XLIONFOSSA-N 2 2 393.560 3.643 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000816451478 894845931 /nfs/dbraw/zinc/84/59/31/894845931.db2.gz MLLJNLHBXXRGBS-GCJKJVERSA-N 2 2 375.472 3.940 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000816451478 894845946 /nfs/dbraw/zinc/84/59/46/894845946.db2.gz MLLJNLHBXXRGBS-GCJKJVERSA-N 2 2 375.472 3.940 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](C[C@@H]3CCOC3)c3ccccc3)[nH+]c2)C1 ZINC000537458208 895060532 /nfs/dbraw/zinc/06/05/32/895060532.db2.gz XSKZRLKVGQTAFI-BWAGFHJFSA-N 2 2 380.536 3.802 20 0 GHADLP C[C@H]1C[C@H](CCNC(=O)Nc2ccn3cc[nH+]c3c2)C[N@@H+]1Cc1ccccc1 ZINC000564690193 895184515 /nfs/dbraw/zinc/18/45/15/895184515.db2.gz QBIZRDFVLYKLKU-HKUYNNGSSA-N 2 2 377.492 3.757 20 0 GHADLP C[C@H]1C[C@H](CCNC(=O)Nc2ccn3cc[nH+]c3c2)C[N@H+]1Cc1ccccc1 ZINC000564690193 895184522 /nfs/dbraw/zinc/18/45/22/895184522.db2.gz QBIZRDFVLYKLKU-HKUYNNGSSA-N 2 2 377.492 3.757 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](C[NH3+])C2)cc1Cl ZINC000564988132 895339670 /nfs/dbraw/zinc/33/96/70/895339670.db2.gz ONZUISWBNIJZDB-FOIQADDNSA-N 2 2 387.911 3.699 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](C[NH3+])C2)cc1Cl ZINC000564988132 895339681 /nfs/dbraw/zinc/33/96/81/895339681.db2.gz ONZUISWBNIJZDB-FOIQADDNSA-N 2 2 387.911 3.699 20 0 GHADLP O[C@H](C[C@@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1cccs1 ZINC000817274120 895456672 /nfs/dbraw/zinc/45/66/72/895456672.db2.gz CDGXZHXWWFSYID-LEWJYISDSA-N 2 2 386.561 3.668 20 0 GHADLP O[C@H](C[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1cccs1 ZINC000817274120 895456675 /nfs/dbraw/zinc/45/66/75/895456675.db2.gz CDGXZHXWWFSYID-LEWJYISDSA-N 2 2 386.561 3.668 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]C3(c4ccccc4)CCOCC3)C2)cc1 ZINC000565907309 895971619 /nfs/dbraw/zinc/97/16/19/895971619.db2.gz FTHFURNKOZGPDH-HSZRJFAPSA-N 2 2 380.532 3.573 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]C3(c4ccccc4)CCOCC3)C2)cc1 ZINC000565907309 895971627 /nfs/dbraw/zinc/97/16/27/895971627.db2.gz FTHFURNKOZGPDH-HSZRJFAPSA-N 2 2 380.532 3.573 20 0 GHADLP CCO[C@@H](C[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1)C1CC1 ZINC001170906216 896214533 /nfs/dbraw/zinc/21/45/33/896214533.db2.gz SDNAHAGHOKGWIR-QFIPXVFZSA-N 2 2 391.987 3.742 20 0 GHADLP COc1c(C)c[nH+]c(Cn2cc(C[NH2+][C@H]3CCCc4ccccc43)nn2)c1C ZINC000881225085 896248784 /nfs/dbraw/zinc/24/87/84/896248784.db2.gz SKJCGVXZQYQHQJ-FQEVSTJZSA-N 2 2 377.492 3.514 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC001136204854 896553035 /nfs/dbraw/zinc/55/30/35/896553035.db2.gz ALKQIXUMEXYYQQ-QHCPKHFHSA-N 2 2 393.531 3.894 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC001136204854 896553048 /nfs/dbraw/zinc/55/30/48/896553048.db2.gz ALKQIXUMEXYYQQ-QHCPKHFHSA-N 2 2 393.531 3.894 20 0 GHADLP COC(=O)[C@H](C)Oc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000566800585 896581656 /nfs/dbraw/zinc/58/16/56/896581656.db2.gz HSSIXHNDJHAWCG-IBGZPJMESA-N 2 2 396.531 3.723 20 0 GHADLP COC(=O)[C@H](C)Oc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000566800585 896581664 /nfs/dbraw/zinc/58/16/64/896581664.db2.gz HSSIXHNDJHAWCG-IBGZPJMESA-N 2 2 396.531 3.723 20 0 GHADLP c1ccc(N2CCC([NH2+][C@H]3CC4(CCOCC4)Oc4ccccc43)CC2)[nH+]c1 ZINC000883383544 897546979 /nfs/dbraw/zinc/54/69/79/897546979.db2.gz ATTPKLUDYYHOOE-FQEVSTJZSA-N 2 2 379.504 3.713 20 0 GHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000883387977 897552157 /nfs/dbraw/zinc/55/21/57/897552157.db2.gz JQQVZBMTVZEPFK-LAUBAEHRSA-N 2 2 375.476 3.505 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000568144387 897634874 /nfs/dbraw/zinc/63/48/74/897634874.db2.gz IHJCVUZSQHMMOY-CTNGQTDRSA-N 2 2 389.503 3.853 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000568144387 897634886 /nfs/dbraw/zinc/63/48/86/897634886.db2.gz IHJCVUZSQHMMOY-CTNGQTDRSA-N 2 2 389.503 3.853 20 0 GHADLP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)C1 ZINC001136405317 897692483 /nfs/dbraw/zinc/69/24/83/897692483.db2.gz PLVXRFJTDDNDQF-LWYYNNOASA-N 2 2 386.584 3.925 20 0 GHADLP O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000568545294 897924979 /nfs/dbraw/zinc/92/49/79/897924979.db2.gz GTOXBNXOTJGJBZ-NHCUHLMSSA-N 2 2 381.520 3.634 20 0 GHADLP O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000568545294 897924983 /nfs/dbraw/zinc/92/49/83/897924983.db2.gz GTOXBNXOTJGJBZ-NHCUHLMSSA-N 2 2 381.520 3.634 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000569039170 898292373 /nfs/dbraw/zinc/29/23/73/898292373.db2.gz QXTPWONVWLUFHH-FXAWDEMLSA-N 2 2 380.517 3.576 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000569039170 898292383 /nfs/dbraw/zinc/29/23/83/898292383.db2.gz QXTPWONVWLUFHH-FXAWDEMLSA-N 2 2 380.517 3.576 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109794480 898594444 /nfs/dbraw/zinc/59/44/44/898594444.db2.gz XJXOXXURAQNSOF-QFIPXVFZSA-N 2 2 390.487 3.909 20 0 GHADLP CC[N@H+](CC(=O)N(CC[NH+](C)C)C1CCCCC1)Cc1ccccc1Cl ZINC001136627048 898638580 /nfs/dbraw/zinc/63/85/80/898638580.db2.gz VVIKDJCQYHODTG-UHFFFAOYSA-N 2 2 379.976 3.885 20 0 GHADLP CC[N@@H+](CC(=O)N(CC[NH+](C)C)C1CCCCC1)Cc1ccccc1Cl ZINC001136627048 898638587 /nfs/dbraw/zinc/63/85/87/898638587.db2.gz VVIKDJCQYHODTG-UHFFFAOYSA-N 2 2 379.976 3.885 20 0 GHADLP Cc1cc(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc(N)[nH+]1 ZINC000043533466 898694331 /nfs/dbraw/zinc/69/43/31/898694331.db2.gz UQSCECUTIMBQPN-UHFFFAOYSA-N 2 2 395.457 3.557 20 0 GHADLP CC[N@H+](Cc1ccc(-c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)cc1)C(C)C ZINC000823385082 898999815 /nfs/dbraw/zinc/99/98/15/898999815.db2.gz BOTMUFDIIOVBND-KRWDZBQOSA-N 2 2 388.512 3.699 20 0 GHADLP CC[N@@H+](Cc1ccc(-c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)cc1)C(C)C ZINC000823385082 898999827 /nfs/dbraw/zinc/99/98/27/898999827.db2.gz BOTMUFDIIOVBND-KRWDZBQOSA-N 2 2 388.512 3.699 20 0 GHADLP Fc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c2c(c1)COCO2 ZINC000569891319 899009517 /nfs/dbraw/zinc/00/95/17/899009517.db2.gz GEGKFCYCRFVREW-RXVVDRJESA-N 2 2 382.479 3.646 20 0 GHADLP Fc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c2c(c1)COCO2 ZINC000569891319 899009528 /nfs/dbraw/zinc/00/95/28/899009528.db2.gz GEGKFCYCRFVREW-RXVVDRJESA-N 2 2 382.479 3.646 20 0 GHADLP Fc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c2c(c1)COCO2 ZINC000569891319 899009541 /nfs/dbraw/zinc/00/95/41/899009541.db2.gz GEGKFCYCRFVREW-RXVVDRJESA-N 2 2 382.479 3.646 20 0 GHADLP Fc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c2c(c1)COCO2 ZINC000569891319 899009551 /nfs/dbraw/zinc/00/95/51/899009551.db2.gz GEGKFCYCRFVREW-RXVVDRJESA-N 2 2 382.479 3.646 20 0 GHADLP COc1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(C)c1OC ZINC000569994941 899061401 /nfs/dbraw/zinc/06/14/01/899061401.db2.gz YNFGKSWGJOEACR-AEFFLSMTSA-N 2 2 384.524 3.721 20 0 GHADLP Brc1cccc(-c2nc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cs2)c1 ZINC000570131277 899145601 /nfs/dbraw/zinc/14/56/01/899145601.db2.gz IVYKIPRPYVOLOS-CYBMUJFWSA-N 2 2 389.322 3.943 20 0 GHADLP C[C@@H]1C[C@@H](C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000823684371 899185661 /nfs/dbraw/zinc/18/56/61/899185661.db2.gz UOUOGIUMRBHZHB-SQNIBIBYSA-N 2 2 378.561 3.923 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cs1)C1CC1 ZINC000115614338 899204138 /nfs/dbraw/zinc/20/41/38/899204138.db2.gz LHGFDTRODFARFY-UHFFFAOYSA-N 2 2 386.565 3.788 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cs1)C1CC1 ZINC000115614338 899204141 /nfs/dbraw/zinc/20/41/41/899204141.db2.gz LHGFDTRODFARFY-UHFFFAOYSA-N 2 2 386.565 3.788 20 0 GHADLP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3ncnc4c3C[N@H+](C)CC4)[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC001171026236 899221119 /nfs/dbraw/zinc/22/11/19/899221119.db2.gz ABNLHVYSUMJAND-KBAFEORJSA-N 2 2 385.600 3.835 20 0 GHADLP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3ncnc4c3C[N@@H+](C)CC4)[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC001171026236 899221133 /nfs/dbraw/zinc/22/11/33/899221133.db2.gz ABNLHVYSUMJAND-KBAFEORJSA-N 2 2 385.600 3.835 20 0 GHADLP C[C@H]([NH2+]Cc1ccnc(Cl)c1F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000823818461 899254763 /nfs/dbraw/zinc/25/47/63/899254763.db2.gz AYSHNYHFJFQWKL-ZDUSSCGKSA-N 2 2 380.870 3.616 20 0 GHADLP CC1CC[NH+]([C@@H](CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)c2cccs2)CC1 ZINC000570326759 899264376 /nfs/dbraw/zinc/26/43/76/899264376.db2.gz FVJXXZSDLZHXTL-QFBILLFUSA-N 2 2 393.503 3.616 20 0 GHADLP CC(C)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824215560 899459942 /nfs/dbraw/zinc/45/99/42/899459942.db2.gz LKIZKSUDWZPIIV-PZJWPPBQSA-N 2 2 382.556 3.636 20 0 GHADLP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(Br)c1 ZINC000570858899 899646349 /nfs/dbraw/zinc/64/63/49/899646349.db2.gz GASJTHDGHMMAGB-GJZGRUSLSA-N 2 2 385.346 3.609 20 0 GHADLP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(Br)c1 ZINC000570858899 899646353 /nfs/dbraw/zinc/64/63/53/899646353.db2.gz GASJTHDGHMMAGB-GJZGRUSLSA-N 2 2 385.346 3.609 20 0 GHADLP Cc1cccn2c(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)cnc12 ZINC001136963161 899877079 /nfs/dbraw/zinc/87/70/79/899877079.db2.gz MJEBYTHAPOGQNA-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2c(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)cnc12 ZINC001136963161 899877083 /nfs/dbraw/zinc/87/70/83/899877083.db2.gz MJEBYTHAPOGQNA-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2c(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)cnc12 ZINC001136963161 899877088 /nfs/dbraw/zinc/87/70/88/899877088.db2.gz MJEBYTHAPOGQNA-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2c(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)cnc12 ZINC001136963161 899877091 /nfs/dbraw/zinc/87/70/91/899877091.db2.gz MJEBYTHAPOGQNA-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP CN(C)C(=O)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000572212471 900102714 /nfs/dbraw/zinc/10/27/14/900102714.db2.gz HAHWVASMHCHVIO-GMAHTHKFSA-N 2 2 379.548 3.708 20 0 GHADLP CN(C)C(=O)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000572212471 900102726 /nfs/dbraw/zinc/10/27/26/900102726.db2.gz HAHWVASMHCHVIO-GMAHTHKFSA-N 2 2 379.548 3.708 20 0 GHADLP CCOc1ccccc1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000574416503 900881733 /nfs/dbraw/zinc/88/17/33/900881733.db2.gz YVFRHTQYSKFRME-JOCHJYFZSA-N 2 2 395.547 3.914 20 0 GHADLP CCOc1ccccc1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000574416503 900881739 /nfs/dbraw/zinc/88/17/39/900881739.db2.gz YVFRHTQYSKFRME-JOCHJYFZSA-N 2 2 395.547 3.914 20 0 GHADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001143991676 900891653 /nfs/dbraw/zinc/89/16/53/900891653.db2.gz NNGAUUJVVRARFV-UHFFFAOYSA-N 2 2 380.838 3.676 20 0 GHADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001143991676 900891661 /nfs/dbraw/zinc/89/16/61/900891661.db2.gz NNGAUUJVVRARFV-UHFFFAOYSA-N 2 2 380.838 3.676 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccnc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000886263707 900909858 /nfs/dbraw/zinc/90/98/58/900909858.db2.gz DUNQADGELAJYSH-UHFFFAOYSA-N 2 2 385.493 3.966 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886664449 901214216 /nfs/dbraw/zinc/21/42/16/901214216.db2.gz MYWDTUIIPHIGPD-UHFFFAOYSA-N 2 2 390.915 3.815 20 0 GHADLP Cc1cc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc(C)c1OCc1ccccn1 ZINC000093394752 901544482 /nfs/dbraw/zinc/54/44/82/901544482.db2.gz UUHHEAHUUYEOET-UHFFFAOYSA-N 2 2 397.563 3.556 20 0 GHADLP Cc1cc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc(C)c1OCc1ccccn1 ZINC000093394752 901544489 /nfs/dbraw/zinc/54/44/89/901544489.db2.gz UUHHEAHUUYEOET-UHFFFAOYSA-N 2 2 397.563 3.556 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[N@@H+]1C ZINC000093644978 901559280 /nfs/dbraw/zinc/55/92/80/901559280.db2.gz DRSOBQNOORJMNL-PGRDOPGGSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[N@H+]1C ZINC000093644978 901559303 /nfs/dbraw/zinc/55/93/03/901559303.db2.gz DRSOBQNOORJMNL-PGRDOPGGSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[NH+]1C ZINC000093644978 901559346 /nfs/dbraw/zinc/55/93/46/901559346.db2.gz DRSOBQNOORJMNL-PGRDOPGGSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[NH+]1C ZINC000093644978 901559363 /nfs/dbraw/zinc/55/93/63/901559363.db2.gz DRSOBQNOORJMNL-PGRDOPGGSA-N 2 2 375.520 3.849 20 0 GHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(OCC(F)(F)F)nc1 ZINC001144356276 901885928 /nfs/dbraw/zinc/88/59/28/901885928.db2.gz LMLDTQXLNGLQNS-UHFFFAOYSA-N 2 2 376.382 3.840 20 0 GHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(OCC(F)(F)F)nc1 ZINC001144356276 901885938 /nfs/dbraw/zinc/88/59/38/901885938.db2.gz LMLDTQXLNGLQNS-UHFFFAOYSA-N 2 2 376.382 3.840 20 0 GHADLP Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c(C(F)(F)F)n1 ZINC000576636090 902146784 /nfs/dbraw/zinc/14/67/84/902146784.db2.gz OJLAFFMLYIUQHF-QGZVFWFLSA-N 2 2 378.442 3.726 20 0 GHADLP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c(C(F)(F)F)n1 ZINC000576636090 902146794 /nfs/dbraw/zinc/14/67/94/902146794.db2.gz OJLAFFMLYIUQHF-QGZVFWFLSA-N 2 2 378.442 3.726 20 0 GHADLP COCC[N@H+](Cc1ccc(OC)c(OCc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001144498227 902293119 /nfs/dbraw/zinc/29/31/19/902293119.db2.gz DBXHXLHXKBBQJK-UHFFFAOYSA-N 2 2 398.547 3.817 20 0 GHADLP COCC[N@@H+](Cc1ccc(OC)c(OCc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001144498227 902293126 /nfs/dbraw/zinc/29/31/26/902293126.db2.gz DBXHXLHXKBBQJK-UHFFFAOYSA-N 2 2 398.547 3.817 20 0 GHADLP CN(C(=O)Nc1cccc(C2CC2)n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000577354295 902708987 /nfs/dbraw/zinc/70/89/87/902708987.db2.gz CFSWMZBILPQGRN-RTWAWAEBSA-N 2 2 399.583 3.760 20 0 GHADLP CN(C(=O)Nc1cccc(C2CC2)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000577354295 902708995 /nfs/dbraw/zinc/70/89/95/902708995.db2.gz CFSWMZBILPQGRN-RTWAWAEBSA-N 2 2 399.583 3.760 20 0 GHADLP C[C@H](c1cccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1)[NH+]1CCOCC1 ZINC000264252205 902964284 /nfs/dbraw/zinc/96/42/84/902964284.db2.gz PFIUCXFQUQXJFJ-MRXNPFEDSA-N 2 2 388.556 3.511 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000131175415 903065831 /nfs/dbraw/zinc/06/58/31/903065831.db2.gz FBLQEHNEOMSJIJ-QGZVFWFLSA-N 2 2 388.556 3.596 20 0 GHADLP CSc1ccc([C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[NH+](C)C)cc1 ZINC000578168267 903582551 /nfs/dbraw/zinc/58/25/51/903582551.db2.gz NHXFGYIYWDXLNL-HXUWFJFHSA-N 2 2 380.517 3.627 20 0 GHADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000578178157 903589973 /nfs/dbraw/zinc/58/99/73/903589973.db2.gz DNMBSNVPVIGTMA-OALUTQOASA-N 2 2 381.520 3.808 20 0 GHADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(COc4ccc(Cl)cc4)n3)C[C@H]21 ZINC000578193108 903603373 /nfs/dbraw/zinc/60/33/73/903603373.db2.gz NRSFGHZNDGZARU-MORSLUCNSA-N 2 2 377.941 3.935 20 0 GHADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(COc4ccc(Cl)cc4)n3)C[C@H]21 ZINC000578193108 903603377 /nfs/dbraw/zinc/60/33/77/903603377.db2.gz NRSFGHZNDGZARU-MORSLUCNSA-N 2 2 377.941 3.935 20 0 GHADLP CC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)s1 ZINC000265120242 903645470 /nfs/dbraw/zinc/64/54/70/903645470.db2.gz FIPRESREPYOPHB-MRXNPFEDSA-N 2 2 399.004 3.710 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@H]2CCc3c(F)cccc3C2)cs1 ZINC001171403624 904511467 /nfs/dbraw/zinc/51/14/67/904511467.db2.gz ZHKSVGSSMWYAPA-HNNXBMFYSA-N 2 2 379.570 3.724 20 0 GHADLP Fc1cc2c(cc1F)C[C@@H]([N@@H+]1C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C1)CC2 ZINC001171482024 904724144 /nfs/dbraw/zinc/72/41/44/904724144.db2.gz CBQZADBLBNJMNR-GIVPXCGWSA-N 2 2 383.486 3.671 20 0 GHADLP Fc1cc2c(cc1F)C[C@@H]([N@H+]1C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C1)CC2 ZINC001171482024 904724151 /nfs/dbraw/zinc/72/41/51/904724151.db2.gz CBQZADBLBNJMNR-GIVPXCGWSA-N 2 2 383.486 3.671 20 0 GHADLP Fc1cc2c(cc1F)C[C@@H]([NH+]1C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C1)CC2 ZINC001171482024 904724159 /nfs/dbraw/zinc/72/41/59/904724159.db2.gz CBQZADBLBNJMNR-GIVPXCGWSA-N 2 2 383.486 3.671 20 0 GHADLP Fc1cc2c(cc1F)C[C@@H]([NH+]1C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C1)CC2 ZINC001171482024 904724169 /nfs/dbraw/zinc/72/41/69/904724169.db2.gz CBQZADBLBNJMNR-GIVPXCGWSA-N 2 2 383.486 3.671 20 0 GHADLP Cc1ccccc1C1([NH2+]CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)CC1 ZINC001171469801 904745507 /nfs/dbraw/zinc/74/55/07/904745507.db2.gz IWEJYBRSUCJZHR-UHFFFAOYSA-N 2 2 398.576 3.901 20 0 GHADLP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890261813 904967633 /nfs/dbraw/zinc/96/76/33/904967633.db2.gz BNRKDUUJRCKESN-JOCHJYFZSA-N 2 2 391.519 3.528 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(C)([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000779192968 905270710 /nfs/dbraw/zinc/27/07/10/905270710.db2.gz LFRVBPMHPJQAAC-UHFFFAOYSA-N 2 2 376.526 3.813 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001172087107 905303751 /nfs/dbraw/zinc/30/37/51/905303751.db2.gz FQSUIALBAQFPRO-HAGHYFMRSA-N 2 2 377.573 3.771 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001172087107 905303764 /nfs/dbraw/zinc/30/37/64/905303764.db2.gz FQSUIALBAQFPRO-HAGHYFMRSA-N 2 2 377.573 3.771 20 0 GHADLP CC(C)Oc1nccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001172069123 905336519 /nfs/dbraw/zinc/33/65/19/905336519.db2.gz ZYOZUKOKHLPRHT-DKUWSORSSA-N 2 2 380.536 3.939 20 0 GHADLP CC(C)Oc1nccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172069123 905336529 /nfs/dbraw/zinc/33/65/29/905336529.db2.gz ZYOZUKOKHLPRHT-DKUWSORSSA-N 2 2 380.536 3.939 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(C(=O)c3ccc(Cl)cc3Cl)CC1)C2 ZINC001172129830 905341667 /nfs/dbraw/zinc/34/16/67/905341667.db2.gz LFIBTKYCZFROEU-FVQHAEBGSA-N 2 2 396.362 3.767 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(C(=O)c3ccc(Cl)cc3Cl)CC1)C2 ZINC001172129830 905341687 /nfs/dbraw/zinc/34/16/87/905341687.db2.gz LFIBTKYCZFROEU-FVQHAEBGSA-N 2 2 396.362 3.767 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+]([C@H]4CSc5ccccc5C4)CC3)C2)co1 ZINC001172199865 905432416 /nfs/dbraw/zinc/43/24/16/905432416.db2.gz HZCMEKMCOZKHMF-HXUWFJFHSA-N 2 2 384.545 3.663 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+]([C@H]4CSc5ccccc5C4)CC3)C2)co1 ZINC001172199865 905432424 /nfs/dbraw/zinc/43/24/24/905432424.db2.gz HZCMEKMCOZKHMF-HXUWFJFHSA-N 2 2 384.545 3.663 20 0 GHADLP CC(C)COCC[C@@H](C)[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001172478489 905556992 /nfs/dbraw/zinc/55/69/92/905556992.db2.gz AQKYWXMZBSXWMI-CQSZACIVSA-N 2 2 380.330 3.947 20 0 GHADLP CC(C)[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1 ZINC000176289458 905809339 /nfs/dbraw/zinc/80/93/39/905809339.db2.gz ROMQPVGDBGPLCG-NRFANRHFSA-N 2 2 391.987 3.754 20 0 GHADLP Cc1nc(Nc2ccc(C3CC[NH+](C)CC3)cc2)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001212689325 905974157 /nfs/dbraw/zinc/97/41/57/905974157.db2.gz YTHVTAUTFKJSQM-CALCHBBNSA-N 2 2 395.551 3.951 20 0 GHADLP C[C@H]1CC[C@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CN1C(=O)OC(C)(C)C ZINC001173073335 906167458 /nfs/dbraw/zinc/16/74/58/906167458.db2.gz NEIRFABVXXIDGS-RDJZCZTQSA-N 2 2 392.519 3.567 20 0 GHADLP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000177783015 906214956 /nfs/dbraw/zinc/21/49/56/906214956.db2.gz KQWKXAMSRDKXOI-NQIIRXRSSA-N 2 2 391.519 3.529 20 0 GHADLP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000177783015 906214967 /nfs/dbraw/zinc/21/49/67/906214967.db2.gz KQWKXAMSRDKXOI-NQIIRXRSSA-N 2 2 391.519 3.529 20 0 GHADLP C[NH+]1CCN(c2cccc(Nc3cc(Br)cn4cc[nH+]c34)c2)CC1 ZINC001212710536 906231703 /nfs/dbraw/zinc/23/17/03/906231703.db2.gz HMNXAASMKQOKCT-UHFFFAOYSA-N 2 2 386.297 3.592 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178199311 906308945 /nfs/dbraw/zinc/30/89/45/906308945.db2.gz KYYAYFZIRHNYKY-LSDHHAIUSA-N 2 2 387.480 3.827 20 0 GHADLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(Br)o3)cc2F)CC1 ZINC000190982012 906502126 /nfs/dbraw/zinc/50/21/26/906502126.db2.gz SWTBIGCUDOVWKH-UHFFFAOYSA-N 2 2 396.304 3.613 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629657284 906934697 /nfs/dbraw/zinc/93/46/97/906934697.db2.gz VTIKPQDZRWAPDI-CXAGYDPISA-N 2 2 386.849 3.793 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629657284 906934704 /nfs/dbraw/zinc/93/47/04/906934704.db2.gz VTIKPQDZRWAPDI-CXAGYDPISA-N 2 2 386.849 3.793 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000181593780 907034588 /nfs/dbraw/zinc/03/45/88/907034588.db2.gz KRKNYZIOXYVNAO-ROUUACIJSA-N 2 2 394.519 3.914 20 0 GHADLP C[C@H](C[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)NC(=O)OC(C)(C)C ZINC001175381094 907528128 /nfs/dbraw/zinc/52/81/28/907528128.db2.gz DJJKKVHOJBAIHS-SXSPYAJSSA-N 2 2 387.568 3.744 20 0 GHADLP C[C@@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185671805 907810394 /nfs/dbraw/zinc/81/03/94/907810394.db2.gz AXLPZEZKDGPHSC-CVEARBPZSA-N 2 2 386.565 3.502 20 0 GHADLP C[C@@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185671805 907810402 /nfs/dbraw/zinc/81/04/02/907810402.db2.gz AXLPZEZKDGPHSC-CVEARBPZSA-N 2 2 386.565 3.502 20 0 GHADLP Cc1[nH+]cn(C)c1Nc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001176041314 907898820 /nfs/dbraw/zinc/89/88/20/907898820.db2.gz MFHFYTXHQQWHQI-UHFFFAOYSA-N 2 2 385.512 3.525 20 0 GHADLP CC(C)C[C@@H](C(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC001176432857 908090275 /nfs/dbraw/zinc/09/02/75/908090275.db2.gz NPNRNWJYMCXYGY-VXKWHMMOSA-N 2 2 382.552 3.983 20 0 GHADLP CC(C)C[C@@H](C(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC001176432857 908090290 /nfs/dbraw/zinc/09/02/90/908090290.db2.gz NPNRNWJYMCXYGY-VXKWHMMOSA-N 2 2 382.552 3.983 20 0 GHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001176978319 908344927 /nfs/dbraw/zinc/34/49/27/908344927.db2.gz QQEDYVIMIFRINN-UHFFFAOYSA-N 2 2 395.334 3.565 20 0 GHADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001177046428 908380889 /nfs/dbraw/zinc/38/08/89/908380889.db2.gz RKBDUXCFDAUVHT-SFTDATJTSA-N 2 2 375.532 3.541 20 0 GHADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001177046428 908380903 /nfs/dbraw/zinc/38/09/03/908380903.db2.gz RKBDUXCFDAUVHT-SFTDATJTSA-N 2 2 375.532 3.541 20 0 GHADLP CC(C)Oc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)cn1 ZINC001177282849 908516534 /nfs/dbraw/zinc/51/65/34/908516534.db2.gz ODQKLFJIKUQQJP-UHFFFAOYSA-N 2 2 393.434 3.542 20 0 GHADLP Fc1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c2ccccc12 ZINC001177515352 908611339 /nfs/dbraw/zinc/61/13/39/908611339.db2.gz OXWWIACSJKKMKI-UHFFFAOYSA-N 2 2 394.490 3.980 20 0 GHADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccccc2Oc2ccc(Cl)c(Cl)c2)C1 ZINC001178425850 909054838 /nfs/dbraw/zinc/05/48/38/909054838.db2.gz JTWDLVRSCWLTPS-IBGZPJMESA-N 2 2 381.303 3.942 20 0 GHADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccccc2Oc2ccc(Cl)c(Cl)c2)C1 ZINC001178425850 909054855 /nfs/dbraw/zinc/05/48/55/909054855.db2.gz JTWDLVRSCWLTPS-IBGZPJMESA-N 2 2 381.303 3.942 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)[NH+]2CCCC2)cc1 ZINC000635452019 909253988 /nfs/dbraw/zinc/25/39/88/909253988.db2.gz BOIIZKSVAYEJLR-MSOLQXFVSA-N 2 2 394.441 3.638 20 0 GHADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000635483405 909267359 /nfs/dbraw/zinc/26/73/59/909267359.db2.gz DDCXCSCKAYVJFX-QZTJIDSGSA-N 2 2 394.441 3.720 20 0 GHADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000635595214 909297997 /nfs/dbraw/zinc/29/79/97/909297997.db2.gz MIDKRUIOVBUAMN-KRWDZBQOSA-N 2 2 380.414 3.506 20 0 GHADLP Cc1nn(-c2ccccc2)cc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000269118152 910148138 /nfs/dbraw/zinc/14/81/38/910148138.db2.gz DVPRUAOQOLDGCJ-UHFFFAOYSA-N 2 2 390.535 3.718 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638843912 910251360 /nfs/dbraw/zinc/25/13/60/910251360.db2.gz RDNKNIISHQZYBD-NFBKMPQASA-N 2 2 398.572 3.938 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638843912 910251370 /nfs/dbraw/zinc/25/13/70/910251370.db2.gz RDNKNIISHQZYBD-NFBKMPQASA-N 2 2 398.572 3.938 20 0 GHADLP Cn1c(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)nc2cc(Cl)ccc21 ZINC000269801125 910356472 /nfs/dbraw/zinc/35/64/72/910356472.db2.gz JMQLKGQQBGQSRN-UHFFFAOYSA-N 2 2 398.942 3.764 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000246578133 910386320 /nfs/dbraw/zinc/38/63/20/910386320.db2.gz YKZZMUMXLXERAM-NIKGAXFTSA-N 2 2 394.346 3.922 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000246578133 910386326 /nfs/dbraw/zinc/38/63/26/910386326.db2.gz YKZZMUMXLXERAM-NIKGAXFTSA-N 2 2 394.346 3.922 20 0 GHADLP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639346438 910394195 /nfs/dbraw/zinc/39/41/95/910394195.db2.gz RABPQEKGEQHFQK-MAUKXSAKSA-N 2 2 378.442 3.897 20 0 GHADLP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639346438 910394200 /nfs/dbraw/zinc/39/42/00/910394200.db2.gz RABPQEKGEQHFQK-MAUKXSAKSA-N 2 2 378.442 3.897 20 0 GHADLP C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000639660895 910597100 /nfs/dbraw/zinc/59/71/00/910597100.db2.gz WJIFIKNEDMHWGN-AZUAARDMSA-N 2 2 399.539 3.546 20 0 GHADLP Cc1sc2[nH]c([C@@H](C)[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)nc(=O)c2c1C ZINC000639681941 910611513 /nfs/dbraw/zinc/61/15/13/910611513.db2.gz AOENTVMJHYNMOT-CQSZACIVSA-N 2 2 383.521 3.682 20 0 GHADLP Cc1sc2[nH]c([C@@H](C)[N@H+]3CCCN(c4cc[nH+]cc4)CC3)nc(=O)c2c1C ZINC000639681941 910611520 /nfs/dbraw/zinc/61/15/20/910611520.db2.gz AOENTVMJHYNMOT-CQSZACIVSA-N 2 2 383.521 3.682 20 0 GHADLP C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001181348342 910742152 /nfs/dbraw/zinc/74/21/52/910742152.db2.gz CUZRNTLXFNGZJE-GXFFZTMASA-N 2 2 380.357 3.842 20 0 GHADLP C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001181348342 910742167 /nfs/dbraw/zinc/74/21/67/910742167.db2.gz CUZRNTLXFNGZJE-GXFFZTMASA-N 2 2 380.357 3.842 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC001181515990 910838754 /nfs/dbraw/zinc/83/87/54/910838754.db2.gz ZHLFSEOJGITGTP-UHFFFAOYSA-N 2 2 383.462 3.909 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC001181515990 910838759 /nfs/dbraw/zinc/83/87/59/910838759.db2.gz ZHLFSEOJGITGTP-UHFFFAOYSA-N 2 2 383.462 3.909 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)CC1 ZINC000642529522 912139506 /nfs/dbraw/zinc/13/95/06/912139506.db2.gz XPATUNMSVPAGET-WIYYLYMNSA-N 2 2 383.561 3.790 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)CC1 ZINC000642529522 912139514 /nfs/dbraw/zinc/13/95/14/912139514.db2.gz XPATUNMSVPAGET-WIYYLYMNSA-N 2 2 383.561 3.790 20 0 GHADLP Cc1c[nH+]c2n1CCC21CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001186924093 914904572 /nfs/dbraw/zinc/90/45/72/914904572.db2.gz YWCWARHZZUYUBY-UHFFFAOYSA-N 2 2 392.547 3.755 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCCc1ccccc1 ZINC000647215533 915088041 /nfs/dbraw/zinc/08/80/41/915088041.db2.gz YDCCGPXNTRKZLF-NZQKXSOJSA-N 2 2 391.559 3.521 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCCc1ccccc1 ZINC000647215533 915088059 /nfs/dbraw/zinc/08/80/59/915088059.db2.gz YDCCGPXNTRKZLF-NZQKXSOJSA-N 2 2 391.559 3.521 20 0 GHADLP C[N@@H+]1C[C@@H](C[NH2+]Cc2cccc(O)c2Br)[C@H](c2ccccc2)C1 ZINC000647249306 915107126 /nfs/dbraw/zinc/10/71/26/915107126.db2.gz QPDSLWSEGZUYIC-SJORKVTESA-N 2 2 375.310 3.590 20 0 GHADLP C[N@H+]1C[C@@H](C[NH2+]Cc2cccc(O)c2Br)[C@H](c2ccccc2)C1 ZINC000647249306 915107135 /nfs/dbraw/zinc/10/71/35/915107135.db2.gz QPDSLWSEGZUYIC-SJORKVTESA-N 2 2 375.310 3.590 20 0 GHADLP CC[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000647936749 915444046 /nfs/dbraw/zinc/44/40/46/915444046.db2.gz KOBZQFQOYIDTEG-FSPWUOQZSA-N 2 2 384.351 3.716 20 0 GHADLP CC[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000647936749 915444052 /nfs/dbraw/zinc/44/40/52/915444052.db2.gz KOBZQFQOYIDTEG-FSPWUOQZSA-N 2 2 384.351 3.716 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000252745342 915487645 /nfs/dbraw/zinc/48/76/45/915487645.db2.gz ONCZNPUYGYYPTM-XJKSGUPXSA-N 2 2 380.464 3.719 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000252745342 915487651 /nfs/dbraw/zinc/48/76/51/915487651.db2.gz ONCZNPUYGYYPTM-XJKSGUPXSA-N 2 2 380.464 3.719 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000648746259 915854895 /nfs/dbraw/zinc/85/48/95/915854895.db2.gz RCFJWJRFBAWBLS-GJZGRUSLSA-N 2 2 375.542 3.724 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000648746259 915854900 /nfs/dbraw/zinc/85/49/00/915854900.db2.gz RCFJWJRFBAWBLS-GJZGRUSLSA-N 2 2 375.542 3.724 20 0 GHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](C)C1 ZINC000648892005 915928143 /nfs/dbraw/zinc/92/81/43/915928143.db2.gz JLTAZHCVQNGKEF-OALUTQOASA-N 2 2 398.551 3.528 20 0 GHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](C)C1 ZINC000648892005 915928155 /nfs/dbraw/zinc/92/81/55/915928155.db2.gz JLTAZHCVQNGKEF-OALUTQOASA-N 2 2 398.551 3.528 20 0 GHADLP C[C@@H](CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000650081937 916709596 /nfs/dbraw/zinc/70/95/96/916709596.db2.gz OTFNSUFBOPZOQA-AWEZNQCLSA-N 2 2 376.888 3.599 20 0 GHADLP C[NH2+]Cc1ccccc1C[NH2+]Cc1csc(COc2ccc(OC)cc2)n1 ZINC000650719640 917248767 /nfs/dbraw/zinc/24/87/67/917248767.db2.gz XDBDKQPZXJVLPQ-UHFFFAOYSA-N 2 2 383.517 3.740 20 0 GHADLP CN(C(=O)CCCc1ccc2c(c1)CCCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651314846 917578720 /nfs/dbraw/zinc/57/87/20/917578720.db2.gz JYIWQLHAWRSALB-XMMPIXPASA-N 2 2 397.607 3.515 20 0 GHADLP CN(C(=O)CCCc1ccc2c(c1)CCCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651314846 917578734 /nfs/dbraw/zinc/57/87/34/917578734.db2.gz JYIWQLHAWRSALB-XMMPIXPASA-N 2 2 397.607 3.515 20 0 GHADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2cn(-c3ccccc3)nn2)ccc1OC ZINC000775414668 917593466 /nfs/dbraw/zinc/59/34/66/917593466.db2.gz KCSPHMUKLOWEKM-GOSISDBHSA-N 2 2 393.535 3.969 20 0 GHADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ncc(-c3cccc(Br)c3)o1)C2 ZINC000652352435 917878935 /nfs/dbraw/zinc/87/89/35/917878935.db2.gz XETDJFILAYOSGC-KSSFIOAISA-N 2 2 376.298 3.665 20 0 GHADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(-c3cccc(Br)c3)o1)C2 ZINC000652352435 917878945 /nfs/dbraw/zinc/87/89/45/917878945.db2.gz XETDJFILAYOSGC-KSSFIOAISA-N 2 2 376.298 3.665 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000800403622 920036252 /nfs/dbraw/zinc/03/62/52/920036252.db2.gz NDEJXBROFUUOLE-MSOLQXFVSA-N 2 2 388.556 3.656 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000800403622 920036280 /nfs/dbraw/zinc/03/62/80/920036280.db2.gz NDEJXBROFUUOLE-MSOLQXFVSA-N 2 2 388.556 3.656 20 0 GHADLP Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)C2=O)cc1 ZINC000800406508 920039760 /nfs/dbraw/zinc/03/97/60/920039760.db2.gz ZGZSVSRGCHCCQG-GHTZIAJQSA-N 2 2 378.520 3.513 20 0 GHADLP Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)C2=O)cc1 ZINC000800406508 920039782 /nfs/dbraw/zinc/03/97/82/920039782.db2.gz ZGZSVSRGCHCCQG-GHTZIAJQSA-N 2 2 378.520 3.513 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902794317 922503031 /nfs/dbraw/zinc/50/30/31/922503031.db2.gz VMGFOQXDYYRNAG-LJQANCHMSA-N 3 2 390.531 3.680 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3nc(C4CCCCC4)cs3)C2)CC1 ZINC000368437428 922674162 /nfs/dbraw/zinc/67/41/62/922674162.db2.gz FRWKCBDSXLPIAL-IBGZPJMESA-N 2 2 376.614 3.791 20 0 GHADLP O=C1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000903117240 922786527 /nfs/dbraw/zinc/78/65/27/922786527.db2.gz DRMMHIOKPLQWFU-DPGVMXDBSA-N 2 2 393.453 3.558 20 0 GHADLP O=C1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000903117240 922786536 /nfs/dbraw/zinc/78/65/36/922786536.db2.gz DRMMHIOKPLQWFU-DPGVMXDBSA-N 2 2 393.453 3.558 20 0 GHADLP CN(C)Cc1csc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000903222626 922867176 /nfs/dbraw/zinc/86/71/76/922867176.db2.gz GYGOQCHVEKXGQD-HLAWJBBLSA-N 2 2 384.593 3.595 20 0 GHADLP CN(C)Cc1csc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000903222626 922867178 /nfs/dbraw/zinc/86/71/78/922867178.db2.gz GYGOQCHVEKXGQD-HLAWJBBLSA-N 2 2 384.593 3.595 20 0 GHADLP C[C@H]([NH2+]CC1(OCCO)CCC(C(F)F)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903262157 922888251 /nfs/dbraw/zinc/88/82/51/922888251.db2.gz DRBGOFSKORXHMI-BQJIDLTASA-N 2 2 393.478 3.726 20 0 GHADLP CC(C)Cn1ccc2c1cccc2C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369326688 923279683 /nfs/dbraw/zinc/27/96/83/923279683.db2.gz KAZALBGCFSNOKP-FQEVSTJZSA-N 2 2 396.579 3.538 20 0 GHADLP CC(C)Cn1ccc2c1cccc2C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369326688 923279697 /nfs/dbraw/zinc/27/96/97/923279697.db2.gz KAZALBGCFSNOKP-FQEVSTJZSA-N 2 2 396.579 3.538 20 0 GHADLP [NH3+]CC1(c2ccccc2)CC[NH+](CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000903793592 923299993 /nfs/dbraw/zinc/29/99/93/923299993.db2.gz FQKOPWHEGDHZOQ-UHFFFAOYSA-N 2 2 392.330 3.924 20 0 GHADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2csc(CNC(=O)c3ccccc3)n2)CCC1 ZINC000903812603 923309209 /nfs/dbraw/zinc/30/92/09/923309209.db2.gz UPUVWIGALCIJGH-LJQANCHMSA-N 2 2 398.576 3.557 20 0 GHADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2csc(CNC(=O)c3ccccc3)n2)CCC1 ZINC000903812603 923309231 /nfs/dbraw/zinc/30/92/31/923309231.db2.gz UPUVWIGALCIJGH-LJQANCHMSA-N 2 2 398.576 3.557 20 0 GHADLP Cc1cc2oc(=O)cc(C[N@@H+]3CC[NH2+]CCC34CCOCC4)c2cc1C(C)C ZINC000903817656 923311854 /nfs/dbraw/zinc/31/18/54/923311854.db2.gz CJIDDIHLONFELK-UHFFFAOYSA-N 2 2 384.520 3.569 20 0 GHADLP Cc1cc2oc(=O)cc(C[N@H+]3CC[NH2+]CCC34CCOCC4)c2cc1C(C)C ZINC000903817656 923311869 /nfs/dbraw/zinc/31/18/69/923311869.db2.gz CJIDDIHLONFELK-UHFFFAOYSA-N 2 2 384.520 3.569 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1cccc(C[NH+]3CCCC3)c1)C2 ZINC000369563615 923429421 /nfs/dbraw/zinc/42/94/21/923429421.db2.gz CSSLKNZJQPTXSA-LJQANCHMSA-N 2 2 380.536 3.550 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1cccc(C[NH+]3CCCC3)c1)CC2 ZINC000369563615 923429426 /nfs/dbraw/zinc/42/94/26/923429426.db2.gz CSSLKNZJQPTXSA-LJQANCHMSA-N 2 2 380.536 3.550 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)Nc2ccc3[nH+]ccn3c2)C[N@@H+]1Cc1ccccc1 ZINC000677078637 924230913 /nfs/dbraw/zinc/23/09/13/924230913.db2.gz SERGLEGRDPUNHE-MJGOQNOKSA-N 2 2 377.492 3.757 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)Nc2ccc3[nH+]ccn3c2)C[N@H+]1Cc1ccccc1 ZINC000677078637 924230923 /nfs/dbraw/zinc/23/09/23/924230923.db2.gz SERGLEGRDPUNHE-MJGOQNOKSA-N 2 2 377.492 3.757 20 0 GHADLP CN(C(=O)c1cc2c(ccc3ccccc23)[nH]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370839087 924322717 /nfs/dbraw/zinc/32/27/17/924322717.db2.gz HIEGZUHAKVIUMC-LJQANCHMSA-N 2 2 390.531 3.562 20 0 GHADLP CN(C(=O)c1cc2c(ccc3ccccc23)[nH]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370839087 924322723 /nfs/dbraw/zinc/32/27/23/924322723.db2.gz HIEGZUHAKVIUMC-LJQANCHMSA-N 2 2 390.531 3.562 20 0 GHADLP CC(C)c1ccc([C@H]2CCCN2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677528212 924389458 /nfs/dbraw/zinc/38/94/58/924389458.db2.gz NCIKQNNLQFGVNN-JTHBVZDNSA-N 2 2 398.595 3.825 20 0 GHADLP CC(C)c1ccc([C@H]2CCCN2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677528212 924389464 /nfs/dbraw/zinc/38/94/64/924389464.db2.gz NCIKQNNLQFGVNN-JTHBVZDNSA-N 2 2 398.595 3.825 20 0 GHADLP COc1cc(Br)c(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000371068248 924414029 /nfs/dbraw/zinc/41/40/29/924414029.db2.gz FOYULLXMMHJRDX-ZDUSSCGKSA-N 2 2 394.313 3.638 20 0 GHADLP COc1cc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)ccc1OCc1ccncc1 ZINC000371069134 924415018 /nfs/dbraw/zinc/41/50/18/924415018.db2.gz LNLJHJKWKLEILF-HXUWFJFHSA-N 2 2 392.503 3.841 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000371300303 924514830 /nfs/dbraw/zinc/51/48/30/924514830.db2.gz OEATYVHSJSRSOL-XPWALMASSA-N 2 2 393.531 3.622 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000371300303 924514838 /nfs/dbraw/zinc/51/48/38/924514838.db2.gz OEATYVHSJSRSOL-XPWALMASSA-N 2 2 393.531 3.622 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(Br)s3)CC2)CC1 ZINC000371346438 924537161 /nfs/dbraw/zinc/53/71/61/924537161.db2.gz XESPKDHREJCUME-UHFFFAOYSA-N 2 2 386.403 3.501 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000409532757 924735285 /nfs/dbraw/zinc/73/52/85/924735285.db2.gz FKSHWYZNDUHHJK-PKOBYXMFSA-N 2 2 391.968 3.958 20 0 GHADLP C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000409745486 924950140 /nfs/dbraw/zinc/95/01/40/924950140.db2.gz HNQMZISCDXHYJC-UHFFFAOYSA-N 2 2 390.531 3.568 20 0 GHADLP CN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000827197024 925001000 /nfs/dbraw/zinc/00/10/00/925001000.db2.gz UMRNRVQEOIVDLK-OAQYLSRUSA-N 2 2 392.503 3.535 20 0 GHADLP O=C1[C@@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000679217188 925069283 /nfs/dbraw/zinc/06/92/83/925069283.db2.gz UPWNUJYRIFCULN-KRWDZBQOSA-N 2 2 379.291 3.701 20 0 GHADLP COc1cccc([C@H]2[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCN2C2CC2)c1 ZINC000679361209 925108938 /nfs/dbraw/zinc/10/89/38/925108938.db2.gz MVUXAZKYFYDNMQ-ZEQRLZLVSA-N 2 2 388.515 3.949 20 0 GHADLP CC[NH+](CC)Cc1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)o1 ZINC000679417942 925132847 /nfs/dbraw/zinc/13/28/47/925132847.db2.gz NQANGBKAULOMND-HXUWFJFHSA-N 2 2 396.491 3.745 20 0 GHADLP CC[NH+](CC)Cc1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)o1 ZINC000679417942 925132858 /nfs/dbraw/zinc/13/28/58/925132858.db2.gz NQANGBKAULOMND-HXUWFJFHSA-N 2 2 396.491 3.745 20 0 GHADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000680228545 925400493 /nfs/dbraw/zinc/40/04/93/925400493.db2.gz OIVZEFJMBBJRJV-GOSISDBHSA-N 2 2 384.351 3.558 20 0 GHADLP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000680228545 925400505 /nfs/dbraw/zinc/40/05/05/925400505.db2.gz OIVZEFJMBBJRJV-GOSISDBHSA-N 2 2 384.351 3.558 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc2ccccc2c1 ZINC000410402579 925612984 /nfs/dbraw/zinc/61/29/84/925612984.db2.gz BSMHCQWDDUAGSN-UHFFFAOYSA-N 3 2 380.580 3.863 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc2ccccc2c1 ZINC000410402579 925612992 /nfs/dbraw/zinc/61/29/92/925612992.db2.gz BSMHCQWDDUAGSN-UHFFFAOYSA-N 3 2 380.580 3.863 20 0 GHADLP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3nc(C(F)(F)F)cs3)C2)nc(C)[nH+]1 ZINC000681053749 925708304 /nfs/dbraw/zinc/70/83/04/925708304.db2.gz AJFNDESENRPLON-WCQYABFASA-N 2 2 385.459 3.888 20 0 GHADLP Cc1oc(-c2ccccc2)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000681993675 925976830 /nfs/dbraw/zinc/97/68/30/925976830.db2.gz SPIULYPTCVMYOA-OAQYLSRUSA-N 2 2 395.547 3.804 20 0 GHADLP Cc1oc(-c2ccccc2)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000681993675 925976835 /nfs/dbraw/zinc/97/68/35/925976835.db2.gz SPIULYPTCVMYOA-OAQYLSRUSA-N 2 2 395.547 3.804 20 0 GHADLP CC(C)(C)OC(=O)Nc1ncc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000374287985 926983932 /nfs/dbraw/zinc/98/39/32/926983932.db2.gz OKKPUYBJNFAHKI-UHFFFAOYSA-N 2 2 389.525 3.644 20 0 GHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751075708 928014432 /nfs/dbraw/zinc/01/44/32/928014432.db2.gz DVFHFIJQVQZLJJ-UHFFFAOYSA-N 2 2 395.551 3.528 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@H](CC(C)(C)C)C3(C)C)CC2)CC1 ZINC000413213027 928326577 /nfs/dbraw/zinc/32/65/77/928326577.db2.gz ZBEBQEZRVGIPSC-GOSISDBHSA-N 2 2 392.632 3.791 20 0 GHADLP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000544041019 928724595 /nfs/dbraw/zinc/72/45/95/928724595.db2.gz UTCZQZUVCQVRJE-HSZRJFAPSA-N 2 2 394.563 3.957 20 0 GHADLP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000544041019 928724603 /nfs/dbraw/zinc/72/46/03/928724603.db2.gz UTCZQZUVCQVRJE-HSZRJFAPSA-N 2 2 394.563 3.957 20 0 GHADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000467392975 929030441 /nfs/dbraw/zinc/03/04/41/929030441.db2.gz XVIZJTDELHYXMG-KNQAVFIVSA-N 2 2 384.495 3.702 20 0 GHADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000467392975 929030448 /nfs/dbraw/zinc/03/04/48/929030448.db2.gz XVIZJTDELHYXMG-KNQAVFIVSA-N 2 2 384.495 3.702 20 0 GHADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000467522006 929155422 /nfs/dbraw/zinc/15/54/22/929155422.db2.gz NMJHYLDVDMGHNN-UHFFFAOYSA-N 2 2 383.330 3.528 20 0 GHADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000467522006 929155433 /nfs/dbraw/zinc/15/54/33/929155433.db2.gz NMJHYLDVDMGHNN-UHFFFAOYSA-N 2 2 383.330 3.528 20 0 GHADLP C[C@@]1(Cc2ccccc2)CCN(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1=O ZINC000780446732 930522548 /nfs/dbraw/zinc/52/25/48/930522548.db2.gz DVBJNJMHCPURGV-DEOSSOPVSA-N 2 2 394.563 3.814 20 0 GHADLP CC[N@@H+](Cc1cc2c(cc1OC)OCO2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000546963280 930568771 /nfs/dbraw/zinc/56/87/71/930568771.db2.gz YSABWAWYCSCRGK-UHFFFAOYSA-N 2 2 383.492 3.557 20 0 GHADLP CC[N@H+](Cc1cc2c(cc1OC)OCO2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000546963280 930568776 /nfs/dbraw/zinc/56/87/76/930568776.db2.gz YSABWAWYCSCRGK-UHFFFAOYSA-N 2 2 383.492 3.557 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2Oc2ccccc2C)CC1 ZINC000547330265 930922177 /nfs/dbraw/zinc/92/21/77/930922177.db2.gz OADOYFDHNYIMDQ-UNMCSNQZSA-N 2 2 388.552 3.692 20 0 GHADLP COc1ccccc1[C@H](CNc1cc[nH+]cc1Br)[NH+]1CCCC1 ZINC000547501367 931074274 /nfs/dbraw/zinc/07/42/74/931074274.db2.gz PERINOWNQUKVML-KRWDZBQOSA-N 2 2 376.298 3.524 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)c1ccccc1Cl ZINC000557434538 931424129 /nfs/dbraw/zinc/42/41/29/931424129.db2.gz ZTSBGDKWUUKAMB-OXJNMPFZSA-N 2 2 388.943 3.607 20 0 GHADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1cccnc1)c1ccc(Cl)cc1Cl ZINC000924992602 931605566 /nfs/dbraw/zinc/60/55/66/931605566.db2.gz MNNXEMXRJUIHCS-MGPUTAFESA-N 2 2 393.362 3.703 20 0 GHADLP C[C@@H]([NH2+]Cc1nnc2n1CCC[C@H]2C(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000925173011 931689637 /nfs/dbraw/zinc/68/96/37/931689637.db2.gz WKFXRHZCPAEYOO-CZUORRHYSA-N 2 2 381.446 3.630 20 0 GHADLP CC[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000557885974 931739238 /nfs/dbraw/zinc/73/92/38/931739238.db2.gz BAGWSIIFTVGJKL-FQEVSTJZSA-N 2 2 383.502 3.830 20 0 GHADLP CC[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[N@H+]1CCc2ccccc2C1 ZINC000557885974 931739244 /nfs/dbraw/zinc/73/92/44/931739244.db2.gz BAGWSIIFTVGJKL-FQEVSTJZSA-N 2 2 383.502 3.830 20 0 GHADLP FC(F)(F)Cc1noc(-c2cccc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)c2)n1 ZINC000925669596 931871150 /nfs/dbraw/zinc/87/11/50/931871150.db2.gz WDKNJUWDERCWMC-OAHLLOKOSA-N 2 2 380.414 3.606 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cnccc1NC(=O)OC(C)(C)C ZINC000796674045 932025096 /nfs/dbraw/zinc/02/50/96/932025096.db2.gz FIHMJEXSPJSGHA-DLBZAZTESA-N 2 2 376.545 3.766 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cnccc1NC(=O)OC(C)(C)C ZINC000796674045 932025103 /nfs/dbraw/zinc/02/51/03/932025103.db2.gz FIHMJEXSPJSGHA-DLBZAZTESA-N 2 2 376.545 3.766 20 0 GHADLP C[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000558566956 932077985 /nfs/dbraw/zinc/07/79/85/932077985.db2.gz OJSRKQXFUNIZCO-UHFFFAOYSA-N 2 2 393.453 3.945 20 0 GHADLP C[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000558566956 932077989 /nfs/dbraw/zinc/07/79/89/932077989.db2.gz OJSRKQXFUNIZCO-UHFFFAOYSA-N 2 2 393.453 3.945 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCOC34CCCCC4)CC2)cc1 ZINC000926528455 932217895 /nfs/dbraw/zinc/21/78/95/932217895.db2.gz PVTZTWWUJWLIJE-JOCHJYFZSA-N 2 2 385.552 3.691 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1nc(Br)ccc1F ZINC000926635328 932255825 /nfs/dbraw/zinc/25/58/25/932255825.db2.gz NEKKBFUIIODIBP-IMJJTQAJSA-N 2 2 392.316 3.979 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1nc(Br)ccc1F ZINC000926635328 932255829 /nfs/dbraw/zinc/25/58/29/932255829.db2.gz NEKKBFUIIODIBP-IMJJTQAJSA-N 2 2 392.316 3.979 20 0 GHADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)c1 ZINC000926962309 932365103 /nfs/dbraw/zinc/36/51/03/932365103.db2.gz ZPWHYDJTRXZONQ-LJQANCHMSA-N 2 2 395.547 3.977 20 0 GHADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)c1 ZINC000926962309 932365110 /nfs/dbraw/zinc/36/51/10/932365110.db2.gz ZPWHYDJTRXZONQ-LJQANCHMSA-N 2 2 395.547 3.977 20 0 GHADLP C[NH+](C)CCOc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1Cl ZINC000559275885 932573179 /nfs/dbraw/zinc/57/31/79/932573179.db2.gz NDLWMXRBFYAXJG-UHFFFAOYSA-N 2 2 398.894 3.778 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)(C)C ZINC000798507877 932680329 /nfs/dbraw/zinc/68/03/29/932680329.db2.gz OSPAYPRRJUEODB-INIZCTEOSA-N 2 2 378.542 3.963 20 0 GHADLP Clc1ccc(COc2ccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2)cc1 ZINC001116018496 933285427 /nfs/dbraw/zinc/28/54/27/933285427.db2.gz FBPCLENYGXNTPD-IRLDBZIGSA-N 2 2 386.923 3.872 20 0 GHADLP Clc1ccc(COc2ccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)cc2)cc1 ZINC001116018496 933285430 /nfs/dbraw/zinc/28/54/30/933285430.db2.gz FBPCLENYGXNTPD-IRLDBZIGSA-N 2 2 386.923 3.872 20 0 GHADLP Cc1cc(C)n(Cc2cccc(C(=O)Nc3c[nH+]ccc3-n3cc[nH+]c3C)c2)n1 ZINC001116061879 933312480 /nfs/dbraw/zinc/31/24/80/933312480.db2.gz WMCSLFPJUULUIV-UHFFFAOYSA-N 2 2 386.459 3.690 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCc1ccc(Br)cc1 ZINC001116199687 933400020 /nfs/dbraw/zinc/40/00/20/933400020.db2.gz MWDZEKVCWOVVJJ-UHFFFAOYSA-N 2 2 385.265 3.910 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000930556553 934100829 /nfs/dbraw/zinc/10/08/29/934100829.db2.gz XQCUVPYVZSUZNR-QGZVFWFLSA-N 2 2 379.508 3.596 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000930556553 934100835 /nfs/dbraw/zinc/10/08/35/934100835.db2.gz XQCUVPYVZSUZNR-QGZVFWFLSA-N 2 2 379.508 3.596 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc3ccccc3c2)[nH+]1 ZINC001119660694 934379077 /nfs/dbraw/zinc/37/90/77/934379077.db2.gz HOOSUAPWSJNSOE-YADHBBJMSA-N 2 2 391.515 3.859 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@H](O)COc2ccc3ccccc3c2)[nH+]1 ZINC001119660694 934379086 /nfs/dbraw/zinc/37/90/86/934379086.db2.gz HOOSUAPWSJNSOE-YADHBBJMSA-N 2 2 391.515 3.859 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N[C@H](C)c3cccs3)C2)s1 ZINC000561944815 934576657 /nfs/dbraw/zinc/57/66/57/934576657.db2.gz DNKDXCUGAAQPKF-IAGOWNOFSA-N 2 2 391.606 3.749 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N[C@H](C)c3cccs3)C2)s1 ZINC000561944815 934576661 /nfs/dbraw/zinc/57/66/61/934576661.db2.gz DNKDXCUGAAQPKF-IAGOWNOFSA-N 2 2 391.606 3.749 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@H](C)c3cccs3)C2)s1 ZINC000561944815 934576664 /nfs/dbraw/zinc/57/66/64/934576664.db2.gz DNKDXCUGAAQPKF-IAGOWNOFSA-N 2 2 391.606 3.749 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@H](C)c3cccs3)C2)s1 ZINC000561944815 934576669 /nfs/dbraw/zinc/57/66/69/934576669.db2.gz DNKDXCUGAAQPKF-IAGOWNOFSA-N 2 2 391.606 3.749 20 0 GHADLP COc1ccc(F)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001137995242 935915037 /nfs/dbraw/zinc/91/50/37/935915037.db2.gz YJBAPOHJZGODCM-AMHTUMDSSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001137995242 935915039 /nfs/dbraw/zinc/91/50/39/935915039.db2.gz YJBAPOHJZGODCM-AMHTUMDSSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001137995242 935915041 /nfs/dbraw/zinc/91/50/41/935915041.db2.gz YJBAPOHJZGODCM-AMHTUMDSSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001137995242 935915043 /nfs/dbraw/zinc/91/50/43/935915043.db2.gz YJBAPOHJZGODCM-AMHTUMDSSA-N 2 2 383.511 3.962 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ccccc1Cl ZINC000468136998 1015318937 /nfs/dbraw/zinc/31/89/37/1015318937.db2.gz BRMMVEATWKIJNR-OAQYLSRUSA-N 2 2 394.906 3.933 20 0 GHADLP CCc1[nH+]ccn1CCNC(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC001154616702 1032212897 /nfs/dbraw/zinc/21/28/97/1032212897.db2.gz YELLRXSBVHEUIA-SFHVURJKSA-N 2 2 396.457 3.664 20 0 GHADLP CC(C)(CNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)Cc1ccc(C(F)(F)F)cc1 ZINC001221166430 1032315039 /nfs/dbraw/zinc/31/50/39/1032315039.db2.gz GKYVXUWCJNFQQU-GOSISDBHSA-N 2 2 393.453 3.663 20 0 GHADLP COc1ccccc1Oc1nc(Cl)ncc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155063628 1032399112 /nfs/dbraw/zinc/39/91/12/1032399112.db2.gz UOPBCJZWWHIESX-UHFFFAOYSA-N 2 2 385.855 3.584 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1csc(C(F)(F)F)c1 ZINC000926409081 1017269101 /nfs/dbraw/zinc/26/91/01/1017269101.db2.gz FOQUTQWEVWDGRD-JZIBPQBNSA-N 2 2 389.487 3.501 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1csc(C(F)(F)F)c1 ZINC000926409081 1017269113 /nfs/dbraw/zinc/26/91/13/1017269113.db2.gz FOQUTQWEVWDGRD-JZIBPQBNSA-N 2 2 389.487 3.501 20 0 GHADLP CC(C)C[NH+]1CCC(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)CC1 ZINC001155839652 1032737502 /nfs/dbraw/zinc/73/75/02/1032737502.db2.gz SSGKYTZPXSORLS-IBGZPJMESA-N 2 2 386.584 3.799 20 0 GHADLP CC(C)C[NH+]1CCC(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)CC1 ZINC001155839652 1032737505 /nfs/dbraw/zinc/73/75/05/1032737505.db2.gz SSGKYTZPXSORLS-IBGZPJMESA-N 2 2 386.584 3.799 20 0 GHADLP CCCOc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc1 ZINC001204308643 1032750509 /nfs/dbraw/zinc/75/05/09/1032750509.db2.gz YQIDVDKQCWQCHV-UHFFFAOYSA-N 2 2 384.520 3.935 20 0 GHADLP CCCOc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc1 ZINC001204308643 1032750522 /nfs/dbraw/zinc/75/05/22/1032750522.db2.gz YQIDVDKQCWQCHV-UHFFFAOYSA-N 2 2 384.520 3.935 20 0 GHADLP C[NH+]1CCN([C@@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)c2cccs2)CC1 ZINC000562503986 1018240005 /nfs/dbraw/zinc/24/00/05/1018240005.db2.gz MFRZNHDWHJJLDF-HNNXBMFYSA-N 2 2 378.611 3.580 20 0 GHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000686215700 1018920442 /nfs/dbraw/zinc/92/04/42/1018920442.db2.gz NDWBGIVIQGXOQG-FXAWDEMLSA-N 2 2 375.557 3.915 20 0 GHADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(Cl)c1 ZINC000575735908 1019941954 /nfs/dbraw/zinc/94/19/54/1019941954.db2.gz JREOUMYKBNYAEL-QSFXBCCZSA-N 2 2 393.959 3.502 20 0 GHADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000576575843 1020035594 /nfs/dbraw/zinc/03/55/94/1020035594.db2.gz CLCXOJAALPXJEB-VJBMBRPKSA-N 2 2 380.532 3.545 20 0 GHADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000576575843 1020035613 /nfs/dbraw/zinc/03/56/13/1020035613.db2.gz CLCXOJAALPXJEB-VJBMBRPKSA-N 2 2 380.532 3.545 20 0 GHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000576576886 1020036786 /nfs/dbraw/zinc/03/67/86/1020036786.db2.gz MSJSPSSUPVUIJL-ZDUSSCGKSA-N 2 2 382.537 3.554 20 0 GHADLP CN(C(=O)Nc1cccc2[nH]ccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245642808 1032907425 /nfs/dbraw/zinc/90/74/25/1032907425.db2.gz DYDQBKPCZOSJGB-FGZHOGPDSA-N 2 2 397.567 3.969 20 0 GHADLP CN(C(=O)Nc1cccc2[nH]ccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245642808 1032907430 /nfs/dbraw/zinc/90/74/30/1032907430.db2.gz DYDQBKPCZOSJGB-FGZHOGPDSA-N 2 2 397.567 3.969 20 0 GHADLP COCc1cc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000191840558 1020821191 /nfs/dbraw/zinc/82/11/91/1020821191.db2.gz UZAFACPPDNDHPY-XXBNENTESA-N 2 2 398.547 3.783 20 0 GHADLP COCc1cc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000191840558 1020821202 /nfs/dbraw/zinc/82/12/02/1020821202.db2.gz UZAFACPPDNDHPY-XXBNENTESA-N 2 2 398.547 3.783 20 0 GHADLP Cc1ccc2n[nH]c(C[NH+]3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001140330600 1021422476 /nfs/dbraw/zinc/42/24/76/1021422476.db2.gz GWRFRCYGPORMFE-XZOYJPPVSA-N 2 2 389.547 3.999 20 0 GHADLP Cc1ccc2n[nH]c(C[NH+]3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001140330600 1021422495 /nfs/dbraw/zinc/42/24/95/1021422495.db2.gz GWRFRCYGPORMFE-XZOYJPPVSA-N 2 2 389.547 3.999 20 0 GHADLP Cc1ccc2n[nH]c(C[N@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001140330600 1021422499 /nfs/dbraw/zinc/42/24/99/1021422499.db2.gz GWRFRCYGPORMFE-XZOYJPPVSA-N 2 2 389.547 3.999 20 0 GHADLP Cc1ccc2n[nH]c(C[N@@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001140330600 1021422506 /nfs/dbraw/zinc/42/25/06/1021422506.db2.gz GWRFRCYGPORMFE-XZOYJPPVSA-N 2 2 389.547 3.999 20 0 GHADLP c1csc(-c2cccc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)c2)n1 ZINC001140334803 1021434189 /nfs/dbraw/zinc/43/41/89/1021434189.db2.gz WFKCVPAGPGRBSQ-WOJBJXKFSA-N 2 2 376.529 3.769 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3cccc(OC)c3)no2)[C@H](C)C1 ZINC000903293080 1021589295 /nfs/dbraw/zinc/58/92/95/1021589295.db2.gz AHSQJMICLNXKNS-UTKZUKDTSA-N 2 2 387.524 3.577 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3cccc(OC)c3)no2)[C@H](C)C1 ZINC000903293080 1021589313 /nfs/dbraw/zinc/58/93/13/1021589313.db2.gz AHSQJMICLNXKNS-UTKZUKDTSA-N 2 2 387.524 3.577 20 0 GHADLP [NH3+]Cc1cccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000827008479 1021898697 /nfs/dbraw/zinc/89/86/97/1021898697.db2.gz PZDIMJVCZPLFLE-GOSISDBHSA-N 2 2 375.875 3.505 20 0 GHADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC001228627668 1033018582 /nfs/dbraw/zinc/01/85/82/1033018582.db2.gz ODJCKNZTVRDWPL-NBHGPNQESA-N 2 2 398.576 3.617 20 0 GHADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC001228627668 1033018594 /nfs/dbraw/zinc/01/85/94/1033018594.db2.gz ODJCKNZTVRDWPL-NBHGPNQESA-N 2 2 398.576 3.617 20 0 GHADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001228627668 1033018606 /nfs/dbraw/zinc/01/86/06/1033018606.db2.gz ODJCKNZTVRDWPL-NBHGPNQESA-N 2 2 398.576 3.617 20 0 GHADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001228627668 1033018617 /nfs/dbraw/zinc/01/86/17/1033018617.db2.gz ODJCKNZTVRDWPL-NBHGPNQESA-N 2 2 398.576 3.617 20 0 GHADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001140802781 1022571837 /nfs/dbraw/zinc/57/18/37/1022571837.db2.gz CZNTYPJCGJPHGU-QPPBQGQZSA-N 3 2 394.563 3.523 20 0 GHADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001140802781 1022571847 /nfs/dbraw/zinc/57/18/47/1022571847.db2.gz CZNTYPJCGJPHGU-QPPBQGQZSA-N 3 2 394.563 3.523 20 0 GHADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001140802781 1022571864 /nfs/dbraw/zinc/57/18/64/1022571864.db2.gz CZNTYPJCGJPHGU-QPPBQGQZSA-N 3 2 394.563 3.523 20 0 GHADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001140802781 1022571879 /nfs/dbraw/zinc/57/18/79/1022571879.db2.gz CZNTYPJCGJPHGU-QPPBQGQZSA-N 3 2 394.563 3.523 20 0 GHADLP c1[nH]c2ccncc2c1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001140802781 1022571893 /nfs/dbraw/zinc/57/18/93/1022571893.db2.gz CZNTYPJCGJPHGU-QPPBQGQZSA-N 2 2 394.563 3.523 20 0 GHADLP c1[nH]c2ccncc2c1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001140802781 1022571905 /nfs/dbraw/zinc/57/19/05/1022571905.db2.gz CZNTYPJCGJPHGU-QPPBQGQZSA-N 2 2 394.563 3.523 20 0 GHADLP c1[nH]c2ccncc2c1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001140802781 1022571917 /nfs/dbraw/zinc/57/19/17/1022571917.db2.gz CZNTYPJCGJPHGU-QPPBQGQZSA-N 2 2 394.563 3.523 20 0 GHADLP c1[nH]c2ccncc2c1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001140802781 1022571926 /nfs/dbraw/zinc/57/19/26/1022571926.db2.gz CZNTYPJCGJPHGU-QPPBQGQZSA-N 2 2 394.563 3.523 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1csc2ccccc21 ZINC000754732391 1022865256 /nfs/dbraw/zinc/86/52/56/1022865256.db2.gz CCRGBAMIOUEUSG-SJORKVTESA-N 2 2 394.544 3.684 20 0 GHADLP CC[NH+](CC)CC(=O)N1CC[NH+](C/C(C)=C\c2ccccc2C(F)(F)F)CC1 ZINC001204783193 1033088520 /nfs/dbraw/zinc/08/85/20/1033088520.db2.gz CNHZMODFKDSDAH-VKAVYKQESA-N 2 2 397.485 3.595 20 0 GHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000754822780 1022914336 /nfs/dbraw/zinc/91/43/36/1022914336.db2.gz BZBOJQIPIQSDGH-MRXNPFEDSA-N 2 2 393.322 3.975 20 0 GHADLP COC(=O)c1cnc([C@@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC001204804207 1033096519 /nfs/dbraw/zinc/09/65/19/1033096519.db2.gz XXWQDRBGTZKIIQ-QGZVFWFLSA-N 2 2 399.560 3.979 20 0 GHADLP COC(=O)c1cnc([C@@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC001204804207 1033096533 /nfs/dbraw/zinc/09/65/33/1033096533.db2.gz XXWQDRBGTZKIIQ-QGZVFWFLSA-N 2 2 399.560 3.979 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4cccc(-c5ncccn5)c4)C[C@@H]3C2)c1 ZINC001140978796 1023069347 /nfs/dbraw/zinc/06/93/47/1023069347.db2.gz REXHCZRNOIXEOZ-WOJBJXKFSA-N 2 2 376.529 3.769 20 0 GHADLP CN(C(=O)/C=C/c1ccsc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755203072 1023124579 /nfs/dbraw/zinc/12/45/79/1023124579.db2.gz DKWAUFCCDJEEFX-XIKIPACMSA-N 2 2 375.582 3.557 20 0 GHADLP CN(C(=O)/C=C/c1ccsc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755203072 1023124585 /nfs/dbraw/zinc/12/45/85/1023124585.db2.gz DKWAUFCCDJEEFX-XIKIPACMSA-N 2 2 375.582 3.557 20 0 GHADLP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccn4cc[nH+]c4c2)CC3)c1 ZINC001141044034 1023374480 /nfs/dbraw/zinc/37/44/80/1023374480.db2.gz UZZRJWBAAULVIW-UHFFFAOYSA-N 3 2 390.531 3.831 20 0 GHADLP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccn4cc[nH+]c4c2)CC3)c1 ZINC001141044034 1023374484 /nfs/dbraw/zinc/37/44/84/1023374484.db2.gz UZZRJWBAAULVIW-UHFFFAOYSA-N 3 2 390.531 3.831 20 0 GHADLP COC(=O)c1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n2c1CCCC2 ZINC001204875195 1033137874 /nfs/dbraw/zinc/13/78/74/1033137874.db2.gz LMABKXWYTSVEJX-FQEVSTJZSA-N 2 2 395.547 3.565 20 0 GHADLP COC(=O)c1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n2c1CCCC2 ZINC001204875195 1033137885 /nfs/dbraw/zinc/13/78/85/1033137885.db2.gz LMABKXWYTSVEJX-FQEVSTJZSA-N 2 2 395.547 3.565 20 0 GHADLP COC(=O)c1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n2c1CCCC2 ZINC001204875195 1033137896 /nfs/dbraw/zinc/13/78/96/1033137896.db2.gz LMABKXWYTSVEJX-FQEVSTJZSA-N 2 2 395.547 3.565 20 0 GHADLP COC(=O)c1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n2c1CCCC2 ZINC001204875195 1033137904 /nfs/dbraw/zinc/13/79/04/1033137904.db2.gz LMABKXWYTSVEJX-FQEVSTJZSA-N 2 2 395.547 3.565 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1=S ZINC000756885965 1023846746 /nfs/dbraw/zinc/84/67/46/1023846746.db2.gz LAINSRIYGYYILA-BZSNNMDCSA-N 2 2 395.617 3.685 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1=S ZINC000756885965 1023846754 /nfs/dbraw/zinc/84/67/54/1023846754.db2.gz LAINSRIYGYYILA-BZSNNMDCSA-N 2 2 395.617 3.685 20 0 GHADLP COc1ccc2nccc(C[N@@H+]3CCC[C@@]4(C3)COCC[NH+](C(C)C)C4)c2c1 ZINC001141149003 1023971856 /nfs/dbraw/zinc/97/18/56/1023971856.db2.gz YTVMCEWJAQJGFT-QHCPKHFHSA-N 2 2 383.536 3.566 20 0 GHADLP COc1ccc2nccc(C[N@H+]3CCC[C@@]4(C3)COCC[NH+](C(C)C)C4)c2c1 ZINC001141149003 1023971862 /nfs/dbraw/zinc/97/18/62/1023971862.db2.gz YTVMCEWJAQJGFT-QHCPKHFHSA-N 2 2 383.536 3.566 20 0 GHADLP COc1ccc2nccc(C[NH+]3CCC[C@@]4(C3)COCC[N@@H+](C(C)C)C4)c2c1 ZINC001141149003 1023971869 /nfs/dbraw/zinc/97/18/69/1023971869.db2.gz YTVMCEWJAQJGFT-QHCPKHFHSA-N 2 2 383.536 3.566 20 0 GHADLP COc1ccc2nccc(C[NH+]3CCC[C@@]4(C3)COCC[N@H+](C(C)C)C4)c2c1 ZINC001141149003 1023971873 /nfs/dbraw/zinc/97/18/73/1023971873.db2.gz YTVMCEWJAQJGFT-QHCPKHFHSA-N 2 2 383.536 3.566 20 0 GHADLP C[C@H](NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001138141302 1024218033 /nfs/dbraw/zinc/21/80/33/1024218033.db2.gz BYFDHJREWPPECG-VNTMZGSJSA-N 2 2 384.568 3.822 20 0 GHADLP C[C@H](NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001138141302 1024218052 /nfs/dbraw/zinc/21/80/52/1024218052.db2.gz BYFDHJREWPPECG-VNTMZGSJSA-N 2 2 384.568 3.822 20 0 GHADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC001138323512 1024663112 /nfs/dbraw/zinc/66/31/12/1024663112.db2.gz YKHHMIVHAJYZME-UHFFFAOYSA-N 2 2 385.309 3.956 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3[nH]c4ccccc4c3C)CC2)C1 ZINC001138398469 1024776398 /nfs/dbraw/zinc/77/63/98/1024776398.db2.gz XNMFNTVRZPISSU-GOSISDBHSA-N 2 2 383.536 3.716 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3[nH]c4ccccc4c3C)CC2)C1 ZINC001138398469 1024776412 /nfs/dbraw/zinc/77/64/12/1024776412.db2.gz XNMFNTVRZPISSU-GOSISDBHSA-N 2 2 383.536 3.716 20 0 GHADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc(Oc5ncccn5)c4)C[C@H]3C2)c1 ZINC001138619955 1025113803 /nfs/dbraw/zinc/11/38/03/1025113803.db2.gz KUUCWNUGERBNRS-KDURUIRLSA-N 2 2 392.528 3.894 20 0 GHADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4cccc(Oc5ncccn5)c4)C[C@H]3C2)c1 ZINC001138619955 1025113807 /nfs/dbraw/zinc/11/38/07/1025113807.db2.gz KUUCWNUGERBNRS-KDURUIRLSA-N 2 2 392.528 3.894 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc(Oc5ncccn5)c4)C[C@H]3C2)c1 ZINC001138619955 1025113812 /nfs/dbraw/zinc/11/38/12/1025113812.db2.gz KUUCWNUGERBNRS-KDURUIRLSA-N 2 2 392.528 3.894 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc(Oc5ncccn5)c4)C[C@H]3C2)c1 ZINC001138619955 1025113816 /nfs/dbraw/zinc/11/38/16/1025113816.db2.gz KUUCWNUGERBNRS-KDURUIRLSA-N 2 2 392.528 3.894 20 0 GHADLP COc1ccc(Br)c2nc(Cl)c(C[N@@H+]3CCC[C@H]([NH3+])CC3)cc12 ZINC001205124527 1033265781 /nfs/dbraw/zinc/26/57/81/1033265781.db2.gz UFHXXNITDXJAQG-LBPRGKRZSA-N 2 2 398.732 3.973 20 0 GHADLP COc1ccc(Br)c2nc(Cl)c(C[N@H+]3CCC[C@H]([NH3+])CC3)cc12 ZINC001205124527 1033265789 /nfs/dbraw/zinc/26/57/89/1033265789.db2.gz UFHXXNITDXJAQG-LBPRGKRZSA-N 2 2 398.732 3.973 20 0 GHADLP CCCCc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)OC)C3)CC2)s1 ZINC001138754645 1025303480 /nfs/dbraw/zinc/30/34/80/1025303480.db2.gz HVWKNOJYDIWGAC-KRWDZBQOSA-N 2 2 378.582 3.940 20 0 GHADLP CCCCc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)OC)C3)CC2)s1 ZINC001138754645 1025303487 /nfs/dbraw/zinc/30/34/87/1025303487.db2.gz HVWKNOJYDIWGAC-KRWDZBQOSA-N 2 2 378.582 3.940 20 0 GHADLP C[NH+](C)CCOc1ccc(C[NH+](Cc2cccnc2)Cc2cccnc2)cc1 ZINC001138772071 1025340989 /nfs/dbraw/zinc/34/09/89/1025340989.db2.gz FQBYPXRWJMALGY-UHFFFAOYSA-N 2 2 376.504 3.619 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2c4cc[nH]c4ncc2Cl)CC3)n1 ZINC001138948533 1025636984 /nfs/dbraw/zinc/63/69/84/1025636984.db2.gz VDDIFZHEOYXJGJ-UHFFFAOYSA-N 2 2 398.942 3.532 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2c4cc[nH]c4ncc2Cl)CC3)n1 ZINC001138948533 1025636987 /nfs/dbraw/zinc/63/69/87/1025636987.db2.gz VDDIFZHEOYXJGJ-UHFFFAOYSA-N 2 2 398.942 3.532 20 0 GHADLP COc1cccc(CC2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)c1 ZINC001139060225 1025848267 /nfs/dbraw/zinc/84/82/67/1025848267.db2.gz MWCQUCVGFRTCST-UHFFFAOYSA-N 2 2 394.559 3.982 20 0 GHADLP c1ccc2c(c1)CCC1(CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC1)O2 ZINC001139060984 1025852870 /nfs/dbraw/zinc/85/28/70/1025852870.db2.gz UDXLZJLAQZEOLV-UHFFFAOYSA-N 2 2 392.543 3.879 20 0 GHADLP FC1(F)C[NH2+]CC[C@@H]1CCNc1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001162811396 1025925080 /nfs/dbraw/zinc/92/50/80/1025925080.db2.gz XTMDREJYLQCWEI-LJQANCHMSA-N 2 2 386.490 3.687 20 0 GHADLP FC1(F)C[NH2+]CC[C@@H]1CCNc1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001162811396 1025925089 /nfs/dbraw/zinc/92/50/89/1025925089.db2.gz XTMDREJYLQCWEI-LJQANCHMSA-N 2 2 386.490 3.687 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc3cccnc3cc1F)C2 ZINC001141624643 1025939300 /nfs/dbraw/zinc/93/93/00/1025939300.db2.gz AYJKDZHGWSJHNP-REWPJTCUSA-N 2 2 383.511 3.554 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc3cccnc3cc1F)C2 ZINC001141624643 1025939302 /nfs/dbraw/zinc/93/93/02/1025939302.db2.gz AYJKDZHGWSJHNP-REWPJTCUSA-N 2 2 383.511 3.554 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc3cccnc3cc1F)C2 ZINC001141624643 1025939315 /nfs/dbraw/zinc/93/93/15/1025939315.db2.gz AYJKDZHGWSJHNP-REWPJTCUSA-N 2 2 383.511 3.554 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc3cccnc3cc1F)C2 ZINC001141624643 1025939319 /nfs/dbraw/zinc/93/93/19/1025939319.db2.gz AYJKDZHGWSJHNP-REWPJTCUSA-N 2 2 383.511 3.554 20 0 GHADLP Cn1ccc2c1cccc2C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001139155587 1025977269 /nfs/dbraw/zinc/97/72/69/1025977269.db2.gz DHHWFMJFAVNZCI-UHFFFAOYSA-N 2 2 379.504 3.638 20 0 GHADLP Cn1ccc2c1cccc2C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001139155587 1025977287 /nfs/dbraw/zinc/97/72/87/1025977287.db2.gz DHHWFMJFAVNZCI-UHFFFAOYSA-N 2 2 379.504 3.638 20 0 GHADLP c1cn(-c2ccc(C[N@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)cc2)c[nH+]1 ZINC001139360539 1026232333 /nfs/dbraw/zinc/23/23/33/1026232333.db2.gz ZDIAJYKOOYANGI-FYYLOGMGSA-N 2 2 381.520 3.528 20 0 GHADLP c1cn(-c2ccc(C[N@@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)cc2)c[nH+]1 ZINC001139360539 1026232342 /nfs/dbraw/zinc/23/23/42/1026232342.db2.gz ZDIAJYKOOYANGI-FYYLOGMGSA-N 2 2 381.520 3.528 20 0 GHADLP O=C1OC2(CN1c1ccccc1)CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001139360190 1026232366 /nfs/dbraw/zinc/23/23/66/1026232366.db2.gz KQDRLLCLSNQUBD-UHFFFAOYSA-N 2 2 388.471 3.864 20 0 GHADLP Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C3)CC2=O)c1 ZINC001139359719 1026233682 /nfs/dbraw/zinc/23/36/82/1026233682.db2.gz IQGBYVRRNVCXHS-DEOSSOPVSA-N 2 2 386.499 3.810 20 0 GHADLP Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C3)CC2=O)c1 ZINC001139359719 1026233692 /nfs/dbraw/zinc/23/36/92/1026233692.db2.gz IQGBYVRRNVCXHS-DEOSSOPVSA-N 2 2 386.499 3.810 20 0 GHADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cccn2Cc2cnc(Cl)s2)CC1 ZINC001139367898 1026242474 /nfs/dbraw/zinc/24/24/74/1026242474.db2.gz AAHMEPUGEFFTCN-UHFFFAOYSA-N 2 2 387.940 3.672 20 0 GHADLP C[NH+](C)C1(CNc2nnc(-c3ccccc3)c3ccccc32)CC[NH+](C)CC1 ZINC001164211616 1026454773 /nfs/dbraw/zinc/45/47/73/1026454773.db2.gz RNPGJBMSHJLAFC-UHFFFAOYSA-N 2 2 375.520 3.735 20 0 GHADLP NC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc4oc5ccccc5c4c3)CC2)CC1 ZINC001139754990 1026593424 /nfs/dbraw/zinc/59/34/24/1026593424.db2.gz RMUWEFDRIAKHKD-UHFFFAOYSA-N 2 2 391.515 3.748 20 0 GHADLP C[N@H+](CCc1ccc(Cl)cc1)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763151 1026601623 /nfs/dbraw/zinc/60/16/23/1026601623.db2.gz GQLQOGVAGZFFMC-UHFFFAOYSA-N 2 2 388.939 3.726 20 0 GHADLP C[N@@H+](CCc1ccc(Cl)cc1)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763151 1026601632 /nfs/dbraw/zinc/60/16/32/1026601632.db2.gz GQLQOGVAGZFFMC-UHFFFAOYSA-N 2 2 388.939 3.726 20 0 GHADLP Fc1ccc([C@@H]2CC[N@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)cc1 ZINC001139764705 1026602676 /nfs/dbraw/zinc/60/26/76/1026602676.db2.gz METWKOYHOIVIHH-OAQYLSRUSA-N 2 2 384.495 3.526 20 0 GHADLP Fc1ccc([C@@H]2CC[N@@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)cc1 ZINC001139764705 1026602683 /nfs/dbraw/zinc/60/26/83/1026602683.db2.gz METWKOYHOIVIHH-OAQYLSRUSA-N 2 2 384.495 3.526 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001140026095 1026812793 /nfs/dbraw/zinc/81/27/93/1026812793.db2.gz VBNTZCLEMMUYPU-JOCHJYFZSA-N 2 2 392.528 3.871 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001140026095 1026812805 /nfs/dbraw/zinc/81/28/05/1026812805.db2.gz VBNTZCLEMMUYPU-JOCHJYFZSA-N 2 2 392.528 3.871 20 0 GHADLP CCOc1cccc(N2CC[NH+](Cc3ccccc3-n3cc[nH+]c3C)CC2)c1 ZINC001140026577 1026814691 /nfs/dbraw/zinc/81/46/91/1026814691.db2.gz MLXAHQOWDSGULD-UHFFFAOYSA-N 2 2 376.504 3.902 20 0 GHADLP COc1ccc(OC2CC[NH+](Cc3ccccc3-n3cc[nH+]c3C)CC2)nc1 ZINC001140029862 1026818918 /nfs/dbraw/zinc/81/89/18/1026818918.db2.gz VPBYFMLLKYAEKN-UHFFFAOYSA-N 2 2 378.476 3.628 20 0 GHADLP CC(C)(C)C[NH+]1CCC(Nc2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC001161207129 1026963964 /nfs/dbraw/zinc/96/39/64/1026963964.db2.gz HSFPYNOBASJJNL-UHFFFAOYSA-N 2 2 393.579 3.957 20 0 GHADLP CC(C)(C)C[NH+]1CCC(Nc2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC001161207129 1026963967 /nfs/dbraw/zinc/96/39/67/1026963967.db2.gz HSFPYNOBASJJNL-UHFFFAOYSA-N 2 2 393.579 3.957 20 0 GHADLP COc1cc(C[NH+]2CCOCC2)ccc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001166909924 1027148528 /nfs/dbraw/zinc/14/85/28/1027148528.db2.gz KPWGTPBICHHQKS-HSZRJFAPSA-N 2 2 395.547 3.776 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c(Cl)cccc4Cl)C[C@@H]3C2)cn1 ZINC001203417383 1027323505 /nfs/dbraw/zinc/32/35/05/1027323505.db2.gz VQWLLTDSEMNMOR-CVEARBPZSA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c(Cl)cccc4Cl)C[C@@H]3C2)cn1 ZINC001203417383 1027323520 /nfs/dbraw/zinc/32/35/20/1027323520.db2.gz VQWLLTDSEMNMOR-CVEARBPZSA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c(Cl)cccc4Cl)C[C@@H]3C2)cn1 ZINC001203417383 1027323565 /nfs/dbraw/zinc/32/35/65/1027323565.db2.gz VQWLLTDSEMNMOR-CVEARBPZSA-N 2 2 379.335 3.681 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(OC)c1 ZINC001203479569 1027370536 /nfs/dbraw/zinc/37/05/36/1027370536.db2.gz ZGWCVADDVVLDLD-TZYHBYERSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(OC)c1 ZINC001203479569 1027370551 /nfs/dbraw/zinc/37/05/51/1027370551.db2.gz ZGWCVADDVVLDLD-TZYHBYERSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(OC)c1 ZINC001203479569 1027370570 /nfs/dbraw/zinc/37/05/70/1027370570.db2.gz ZGWCVADDVVLDLD-TZYHBYERSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(OC)c1 ZINC001203479569 1027370576 /nfs/dbraw/zinc/37/05/76/1027370576.db2.gz ZGWCVADDVVLDLD-TZYHBYERSA-N 2 2 395.547 3.831 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1OC(C)=O ZINC001203836480 1027643914 /nfs/dbraw/zinc/64/39/14/1027643914.db2.gz DNPKMPWYLVIFJQ-FGZHOGPDSA-N 2 2 394.515 3.574 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1OC(C)=O ZINC001203836480 1027643920 /nfs/dbraw/zinc/64/39/20/1027643920.db2.gz DNPKMPWYLVIFJQ-FGZHOGPDSA-N 2 2 394.515 3.574 20 0 GHADLP COc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1OC(C)=O ZINC001203836480 1027643927 /nfs/dbraw/zinc/64/39/27/1027643927.db2.gz DNPKMPWYLVIFJQ-FGZHOGPDSA-N 2 2 394.515 3.574 20 0 GHADLP COc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1OC(C)=O ZINC001203836480 1027643931 /nfs/dbraw/zinc/64/39/31/1027643931.db2.gz DNPKMPWYLVIFJQ-FGZHOGPDSA-N 2 2 394.515 3.574 20 0 GHADLP CCCCOC(=O)N1CCN(c2[nH+]cccc2Nc2ccc(C[NH2+]C)cc2)CC1 ZINC001211128816 1027802004 /nfs/dbraw/zinc/80/20/04/1027802004.db2.gz LAJLQLODILUSQM-UHFFFAOYSA-N 2 2 397.523 3.603 20 0 GHADLP COc1cc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)ccc1O ZINC001204117098 1027887465 /nfs/dbraw/zinc/88/74/65/1027887465.db2.gz ZLLWCVHLOJLWPW-UHFFFAOYSA-N 2 2 383.879 3.925 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000841065471 1028083062 /nfs/dbraw/zinc/08/30/62/1028083062.db2.gz PSNVNTSCRLPBRZ-CEXWTWQISA-N 2 2 376.447 3.796 20 0 GHADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001142627603 1029175660 /nfs/dbraw/zinc/17/56/60/1029175660.db2.gz SERYOXITEPFWIF-FCHUYYIVSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001142627603 1029175670 /nfs/dbraw/zinc/17/56/70/1029175670.db2.gz SERYOXITEPFWIF-FCHUYYIVSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001142627603 1029175683 /nfs/dbraw/zinc/17/56/83/1029175683.db2.gz SERYOXITEPFWIF-FCHUYYIVSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001142627603 1029175693 /nfs/dbraw/zinc/17/56/93/1029175693.db2.gz SERYOXITEPFWIF-FCHUYYIVSA-N 2 2 389.559 3.951 20 0 GHADLP CC[NH+](CC)[C@@H](c1nc(C2CC[NH2+]CC2)no1)c1cccc(C(F)(F)F)c1 ZINC000843139847 1029823413 /nfs/dbraw/zinc/82/34/13/1029823413.db2.gz YBYYDNFLVLQCTP-MRXNPFEDSA-N 2 2 382.430 3.987 20 0 GHADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2F)CC1 ZINC000404671849 1029945047 /nfs/dbraw/zinc/94/50/47/1029945047.db2.gz WFXYUIMESUZTMT-UHFFFAOYSA-N 2 2 379.520 3.813 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398007 1029968520 /nfs/dbraw/zinc/96/85/20/1029968520.db2.gz RIJAJHRXSNUWLV-PXNSSMCTSA-N 2 2 384.524 3.667 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398304 1029968541 /nfs/dbraw/zinc/96/85/41/1029968541.db2.gz VTRIBNQNHHNUFS-XLIONFOSSA-N 2 2 384.524 3.667 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(OCc2ccccc2)c1OC ZINC001222147941 1029979307 /nfs/dbraw/zinc/97/93/07/1029979307.db2.gz FUWLYDOMDDYKKL-DEOSSOPVSA-N 2 2 396.531 3.858 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(OCc2ccccc2)c1OC ZINC001222147941 1029979312 /nfs/dbraw/zinc/97/93/12/1029979312.db2.gz FUWLYDOMDDYKKL-DEOSSOPVSA-N 2 2 396.531 3.858 20 0 GHADLP COC(=O)/C=C/c1cc(F)c(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(F)c1 ZINC001222171737 1029987883 /nfs/dbraw/zinc/98/78/83/1029987883.db2.gz DYELQFGVZUNPCM-XYXUZSOXSA-N 2 2 392.490 3.897 20 0 GHADLP COC(=O)/C=C/c1cc(F)c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(F)c1 ZINC001222171737 1029987888 /nfs/dbraw/zinc/98/78/88/1029987888.db2.gz DYELQFGVZUNPCM-XYXUZSOXSA-N 2 2 392.490 3.897 20 0 GHADLP FC(F)Oc1ccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)cc1OC(F)F ZINC001222298492 1030057391 /nfs/dbraw/zinc/05/73/91/1030057391.db2.gz WNIAOLOUZNQSFK-UHFFFAOYSA-N 2 2 376.394 3.998 20 0 GHADLP FC(F)(F)c1cc(C[N@@H+]2CCOCC3(CC[NH2+]CC3)C2)cc(C(F)(F)F)c1 ZINC001222400729 1030107870 /nfs/dbraw/zinc/10/78/70/1030107870.db2.gz GCTSVSUTWBJUJS-UHFFFAOYSA-N 2 2 396.375 3.926 20 0 GHADLP FC(F)(F)c1cc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc(C(F)(F)F)c1 ZINC001222400729 1030107878 /nfs/dbraw/zinc/10/78/78/1030107878.db2.gz GCTSVSUTWBJUJS-UHFFFAOYSA-N 2 2 396.375 3.926 20 0 GHADLP Fc1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1OC(F)(F)F ZINC001222609486 1030232566 /nfs/dbraw/zinc/23/25/66/1030232566.db2.gz OZOAJKSJMPJIMY-MRXNPFEDSA-N 2 2 380.385 3.913 20 0 GHADLP Fc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1OC(F)(F)F ZINC001222609486 1030232580 /nfs/dbraw/zinc/23/25/80/1030232580.db2.gz OZOAJKSJMPJIMY-MRXNPFEDSA-N 2 2 380.385 3.913 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001461691645 1069682027 /nfs/dbraw/zinc/68/20/27/1069682027.db2.gz RWIMQNYIMURMSF-UFYCRDLUSA-N 2 2 387.568 3.932 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001461691645 1069682033 /nfs/dbraw/zinc/68/20/33/1069682033.db2.gz RWIMQNYIMURMSF-UFYCRDLUSA-N 2 2 387.568 3.932 20 0 GHADLP [NH3+][C@H](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001218847839 1031112900 /nfs/dbraw/zinc/11/29/00/1031112900.db2.gz LIBOWKUIKBWRGZ-GOSISDBHSA-N 2 2 388.393 3.979 20 0 GHADLP COc1cc2c(cc1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)oc1ccccc12 ZINC001218962873 1031180732 /nfs/dbraw/zinc/18/07/32/1031180732.db2.gz IKPDEGYUQXCPGT-QGZVFWFLSA-N 2 2 375.428 3.805 20 0 GHADLP O=C(c1c[nH]c2cc[nH+]cc21)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001152976665 1031416058 /nfs/dbraw/zinc/41/60/58/1031416058.db2.gz WZAJNSLXUKAUHF-QFIPXVFZSA-N 2 2 378.451 3.583 20 0 GHADLP O=C(c1c[nH]c2cc[nH+]cc21)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001152976665 1031416063 /nfs/dbraw/zinc/41/60/63/1031416063.db2.gz WZAJNSLXUKAUHF-QFIPXVFZSA-N 2 2 378.451 3.583 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1Cl ZINC001220533305 1031979806 /nfs/dbraw/zinc/97/98/06/1031979806.db2.gz NHLQGGZNXWBBDE-GOSISDBHSA-N 2 2 378.303 3.629 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)ccc21 ZINC001205608015 1033490651 /nfs/dbraw/zinc/49/06/51/1033490651.db2.gz RZIJTJBQUKGRGX-LJQANCHMSA-N 2 2 381.524 3.687 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)ccc21 ZINC001205608015 1033490661 /nfs/dbraw/zinc/49/06/61/1033490661.db2.gz RZIJTJBQUKGRGX-LJQANCHMSA-N 2 2 381.524 3.687 20 0 GHADLP CC(C)[NH+]1CCC(CCNC(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)CC1 ZINC001205608216 1033490841 /nfs/dbraw/zinc/49/08/41/1033490841.db2.gz YJYKNBCRCDGXTO-UHFFFAOYSA-N 2 2 383.540 3.933 20 0 GHADLP Cc1cc(F)cc(-c2ccc(CC[NH+]3CCOCC3)cc2)c1C[NH+]1CCOCC1 ZINC001205679043 1033526689 /nfs/dbraw/zinc/52/66/89/1033526689.db2.gz ACZJTUNOINLKMY-UHFFFAOYSA-N 2 2 398.522 3.508 20 0 GHADLP C[NH+](C)Cc1nc(CSCCNc2ccc(C[N@H+](C)C3CC3)cn2)cs1 ZINC001157340194 1033543308 /nfs/dbraw/zinc/54/33/08/1033543308.db2.gz SJBMRMQCBGMMAY-UHFFFAOYSA-N 2 2 391.610 3.539 20 0 GHADLP C[NH+](C)Cc1nc(CSCCNc2ccc(C[N@@H+](C)C3CC3)cn2)cs1 ZINC001157340194 1033543311 /nfs/dbraw/zinc/54/33/11/1033543311.db2.gz SJBMRMQCBGMMAY-UHFFFAOYSA-N 2 2 391.610 3.539 20 0 GHADLP C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])Cc2ccc(-c3ccccc3)cc2)[C@@H](c2ccccc2)C1 ZINC001157494806 1033619559 /nfs/dbraw/zinc/61/95/59/1033619559.db2.gz AZCSLOJWRXDXIL-LOSJGSFVSA-N 2 2 399.538 3.739 20 0 GHADLP C[N@H+]1CCN(C(=O)[C@@H]([NH3+])Cc2ccc(-c3ccccc3)cc2)[C@@H](c2ccccc2)C1 ZINC001157494806 1033619566 /nfs/dbraw/zinc/61/95/66/1033619566.db2.gz AZCSLOJWRXDXIL-LOSJGSFVSA-N 2 2 399.538 3.739 20 0 GHADLP Cc1ccc([C@H](C(=O)N2CCc3ccccc3[C@@H]2C)[NH+]2CCC([NH3+])CC2)cc1 ZINC001157702900 1033731443 /nfs/dbraw/zinc/73/14/43/1033731443.db2.gz GAARPXZSUZKWMB-FDDCHVKYSA-N 2 2 377.532 3.605 20 0 GHADLP COc1cc(C)ccc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001206755984 1033970383 /nfs/dbraw/zinc/97/03/83/1033970383.db2.gz FRWPHZMJHHQWLV-VJBWXMMDSA-N 2 2 394.563 3.575 20 0 GHADLP COc1cc(C)ccc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001206755984 1033970387 /nfs/dbraw/zinc/97/03/87/1033970387.db2.gz FRWPHZMJHHQWLV-VJBWXMMDSA-N 2 2 394.563 3.575 20 0 GHADLP COc1cc(C)ccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001206755984 1033970396 /nfs/dbraw/zinc/97/03/96/1033970396.db2.gz FRWPHZMJHHQWLV-VJBWXMMDSA-N 2 2 394.563 3.575 20 0 GHADLP COc1cc(C)ccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001206755984 1033970406 /nfs/dbraw/zinc/97/04/06/1033970406.db2.gz FRWPHZMJHHQWLV-VJBWXMMDSA-N 2 2 394.563 3.575 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1)c1ccccc1Cl ZINC001158337454 1034031690 /nfs/dbraw/zinc/03/16/90/1034031690.db2.gz VPCIKYKSBAMTFE-NNWRFLSQSA-N 2 2 397.950 3.821 20 0 GHADLP C[NH+]1CCN(c2cccc(N[C@@H]3CCc4c3cccc4OC(F)(F)F)[nH+]2)CC1 ZINC001158465546 1034093491 /nfs/dbraw/zinc/09/34/91/1034093491.db2.gz LZVCWRLOQKUDCD-MRXNPFEDSA-N 2 2 392.425 3.831 20 0 GHADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)CC[C@@H]21 ZINC001207175136 1034145923 /nfs/dbraw/zinc/14/59/23/1034145923.db2.gz QYGBNGKIHWNCHF-YJBOKZPZSA-N 2 2 391.581 3.567 20 0 GHADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)CC[C@@H]21 ZINC001207175136 1034145935 /nfs/dbraw/zinc/14/59/35/1034145935.db2.gz QYGBNGKIHWNCHF-YJBOKZPZSA-N 2 2 391.581 3.567 20 0 GHADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)CC[C@@H]21 ZINC001207175136 1034145943 /nfs/dbraw/zinc/14/59/43/1034145943.db2.gz QYGBNGKIHWNCHF-YJBOKZPZSA-N 2 2 391.581 3.567 20 0 GHADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)CC[C@@H]21 ZINC001207175136 1034145955 /nfs/dbraw/zinc/14/59/55/1034145955.db2.gz QYGBNGKIHWNCHF-YJBOKZPZSA-N 2 2 391.581 3.567 20 0 GHADLP CCCOc1c(F)cc(F)c(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)c1F ZINC001159261453 1034510292 /nfs/dbraw/zinc/51/02/92/1034510292.db2.gz JFEOCXHVGXFECX-UHFFFAOYSA-N 2 2 380.414 3.959 20 0 GHADLP [NH3+]C1CCN(c2ccc(Nc3ccc(OCC[NH+]4CCCCC4)cc3)c[nH+]2)CC1 ZINC001159321855 1034543639 /nfs/dbraw/zinc/54/36/39/1034543639.db2.gz UETKYBTZPWKEHM-UHFFFAOYSA-N 3 2 395.551 3.617 20 0 GHADLP C[NH+]1CCN(c2cccc(N[C@@H](Cc3ccccc3)c3nccs3)[nH+]2)CC1 ZINC001159571502 1034670808 /nfs/dbraw/zinc/67/08/08/1034670808.db2.gz KYSJLNHJDTWOAT-SFHVURJKSA-N 2 2 379.533 3.686 20 0 GHADLP CS[C@H](C)CC[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001208151179 1034756836 /nfs/dbraw/zinc/75/68/36/1034756836.db2.gz KBSHMADWSUQCJU-QGZVFWFLSA-N 2 2 399.645 3.924 20 0 GHADLP CS[C@H](C)CC[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001208151179 1034756845 /nfs/dbraw/zinc/75/68/45/1034756845.db2.gz KBSHMADWSUQCJU-QGZVFWFLSA-N 2 2 399.645 3.924 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2[nH]nc3cc(Br)ccc32)C1 ZINC001231616112 1034772672 /nfs/dbraw/zinc/77/26/72/1034772672.db2.gz VYNLZRAJKCLEDQ-AWEZNQCLSA-N 2 2 387.281 3.682 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2[nH]nc3cc(Br)ccc32)C1 ZINC001231616112 1034772684 /nfs/dbraw/zinc/77/26/84/1034772684.db2.gz VYNLZRAJKCLEDQ-AWEZNQCLSA-N 2 2 387.281 3.682 20 0 GHADLP CC(C)Cc1ccc(C[N@@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)cc1 ZINC001231788907 1034911050 /nfs/dbraw/zinc/91/10/50/1034911050.db2.gz YKHOUDCXAKVNBH-UHFFFAOYSA-N 2 2 396.579 3.688 20 0 GHADLP CC(C)Cc1ccc(C[N@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)cc1 ZINC001231788907 1034911056 /nfs/dbraw/zinc/91/10/56/1034911056.db2.gz YKHOUDCXAKVNBH-UHFFFAOYSA-N 2 2 396.579 3.688 20 0 GHADLP CC(C)Cc1ccc(C[NH+]2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)cc1 ZINC001231788907 1034911058 /nfs/dbraw/zinc/91/10/58/1034911058.db2.gz YKHOUDCXAKVNBH-UHFFFAOYSA-N 2 2 396.579 3.688 20 0 GHADLP CC(C)Cc1ccc(C[NH+]2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)cc1 ZINC001231788907 1034911061 /nfs/dbraw/zinc/91/10/61/1034911061.db2.gz YKHOUDCXAKVNBH-UHFFFAOYSA-N 2 2 396.579 3.688 20 0 GHADLP Clc1cccnc1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001231958173 1035006036 /nfs/dbraw/zinc/00/60/36/1035006036.db2.gz PRTZVBXTUKJOCJ-UHFFFAOYSA-N 2 2 377.941 3.664 20 0 GHADLP Clc1cccnc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001231958173 1035006047 /nfs/dbraw/zinc/00/60/47/1035006047.db2.gz PRTZVBXTUKJOCJ-UHFFFAOYSA-N 2 2 377.941 3.664 20 0 GHADLP FC1(F)CC[N@H+](Cc2cccc3c[nH]nc32)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001231970731 1035015581 /nfs/dbraw/zinc/01/55/81/1035015581.db2.gz BJZIPBSIOSEMLM-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[N@@H+](Cc2cccc3c[nH]nc32)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001231970731 1035015590 /nfs/dbraw/zinc/01/55/90/1035015590.db2.gz BJZIPBSIOSEMLM-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2cccc3c[nH]nc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001231970731 1035015597 /nfs/dbraw/zinc/01/55/97/1035015597.db2.gz BJZIPBSIOSEMLM-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2cccc3c[nH]nc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001231970731 1035015605 /nfs/dbraw/zinc/01/56/05/1035015605.db2.gz BJZIPBSIOSEMLM-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP COc1cccc2[nH]cc(C[NH+]3CCC4(CCC[N@@H+]4Cc4ccn(C)n4)CC3)c21 ZINC001232039012 1035057469 /nfs/dbraw/zinc/05/74/69/1035057469.db2.gz YVVGDTRCUPSQJG-UHFFFAOYSA-N 2 2 393.535 3.541 20 0 GHADLP COc1cccc2[nH]cc(C[NH+]3CCC4(CCC[N@H+]4Cc4ccn(C)n4)CC3)c21 ZINC001232039012 1035057477 /nfs/dbraw/zinc/05/74/77/1035057477.db2.gz YVVGDTRCUPSQJG-UHFFFAOYSA-N 2 2 393.535 3.541 20 0 GHADLP Fc1ccc(C[NH+]2CCN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208933456 1035096869 /nfs/dbraw/zinc/09/68/69/1035096869.db2.gz VQOFDLBSVIUZAP-HSZRJFAPSA-N 2 2 381.539 3.856 20 0 GHADLP Fc1ccc(C[NH+]2CCN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208933456 1035096883 /nfs/dbraw/zinc/09/68/83/1035096883.db2.gz VQOFDLBSVIUZAP-HSZRJFAPSA-N 2 2 381.539 3.856 20 0 GHADLP CC(C)(C)OC(=O)N1CC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001208950536 1035122395 /nfs/dbraw/zinc/12/23/95/1035122395.db2.gz TZXOUAHUQFZWKT-HXUWFJFHSA-N 2 2 387.568 3.840 20 0 GHADLP CC(C)(C)OC(=O)N1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001208950536 1035122406 /nfs/dbraw/zinc/12/24/06/1035122406.db2.gz TZXOUAHUQFZWKT-HXUWFJFHSA-N 2 2 387.568 3.840 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001208950536 1035122410 /nfs/dbraw/zinc/12/24/10/1035122410.db2.gz TZXOUAHUQFZWKT-HXUWFJFHSA-N 2 2 387.568 3.840 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001208950536 1035122413 /nfs/dbraw/zinc/12/24/13/1035122413.db2.gz TZXOUAHUQFZWKT-HXUWFJFHSA-N 2 2 387.568 3.840 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)c1 ZINC001232147358 1035125461 /nfs/dbraw/zinc/12/54/61/1035125461.db2.gz GBEUHHUHTWWWMV-YTFSRNRJSA-N 2 2 390.543 3.826 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)c1 ZINC001232147358 1035125463 /nfs/dbraw/zinc/12/54/63/1035125463.db2.gz GBEUHHUHTWWWMV-YTFSRNRJSA-N 2 2 390.543 3.826 20 0 GHADLP Cc1ccc([C@H](C(=O)N(C)Cc2ccc(C)c(C)c2)[NH+]2CCC([NH3+])CC2)cc1 ZINC001161096240 1035140435 /nfs/dbraw/zinc/14/04/35/1035140435.db2.gz AEOLIZWTRKBQRP-HSZRJFAPSA-N 2 2 379.548 3.735 20 0 GHADLP COC(=O)CCCCCCCCC[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001209093985 1035169772 /nfs/dbraw/zinc/16/97/72/1035169772.db2.gz CCBZVVINRANTMG-FGZHOGPDSA-N 2 2 387.568 3.739 20 0 GHADLP Clc1cccc(Cl)c1CC[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001209107875 1035176609 /nfs/dbraw/zinc/17/66/09/1035176609.db2.gz QPTYGKOSGFFQLN-UHFFFAOYSA-N 2 2 379.335 3.844 20 0 GHADLP Clc1cccc(Cl)c1CC[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001209107875 1035176615 /nfs/dbraw/zinc/17/66/15/1035176615.db2.gz QPTYGKOSGFFQLN-UHFFFAOYSA-N 2 2 379.335 3.844 20 0 GHADLP FC(F)(F)c1ccc(CC[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)cc1 ZINC001209123169 1035183534 /nfs/dbraw/zinc/18/35/34/1035183534.db2.gz RXQBSFDOSWEVPF-UHFFFAOYSA-N 2 2 376.382 3.539 20 0 GHADLP FC(F)(F)c1ccc(CC[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)cc1 ZINC001209123169 1035183539 /nfs/dbraw/zinc/18/35/39/1035183539.db2.gz RXQBSFDOSWEVPF-UHFFFAOYSA-N 2 2 376.382 3.539 20 0 GHADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](CCc1ccc(C(F)(F)F)cc1)C2 ZINC001209129403 1035186218 /nfs/dbraw/zinc/18/62/18/1035186218.db2.gz QYLWJIXUCQMXMD-UHFFFAOYSA-N 2 2 395.473 3.586 20 0 GHADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](CCc1ccc(C(F)(F)F)cc1)C2 ZINC001209129403 1035186220 /nfs/dbraw/zinc/18/62/20/1035186220.db2.gz QYLWJIXUCQMXMD-UHFFFAOYSA-N 2 2 395.473 3.586 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](CCc1ccc(C(F)(F)F)cc1)C2 ZINC001209129403 1035186224 /nfs/dbraw/zinc/18/62/24/1035186224.db2.gz QYLWJIXUCQMXMD-UHFFFAOYSA-N 2 2 395.473 3.586 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](CCc1ccc(C(F)(F)F)cc1)C2 ZINC001209129403 1035186230 /nfs/dbraw/zinc/18/62/30/1035186230.db2.gz QYLWJIXUCQMXMD-UHFFFAOYSA-N 2 2 395.473 3.586 20 0 GHADLP CN(C)c1cc[nH+]c(NCc2c[nH+]cn2Cc2ccccc2Br)c1 ZINC001161519883 1035248800 /nfs/dbraw/zinc/24/88/00/1035248800.db2.gz NWUJNQIIOJNQFX-UHFFFAOYSA-N 2 2 386.297 3.767 20 0 GHADLP C[C@H]1CC(C[NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)C[C@H](C)O1 ZINC001209400107 1035269332 /nfs/dbraw/zinc/26/93/32/1035269332.db2.gz XGMPCXUADLVKIT-STQMWFEESA-N 2 2 378.314 3.700 20 0 GHADLP COc1ccc(C2=CC[N@H+](Cc3ccccc3)CC2)c(C[NH+]2CCOCC2)c1 ZINC001241507952 1035600282 /nfs/dbraw/zinc/60/02/82/1035600282.db2.gz WFZVSBXZGHHQRS-UHFFFAOYSA-N 2 2 378.516 3.817 20 0 GHADLP COc1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)c(C[NH+]2CCOCC2)c1 ZINC001241507952 1035600293 /nfs/dbraw/zinc/60/02/93/1035600293.db2.gz WFZVSBXZGHHQRS-UHFFFAOYSA-N 2 2 378.516 3.817 20 0 GHADLP Cc1noc2ccc(C[NH+]3CCC4(CCC[N@H+]4Cc4cnn(C)c4)CC3)cc12 ZINC001248698351 1036062815 /nfs/dbraw/zinc/06/28/15/1036062815.db2.gz CRIFXTFPNVQFOW-UHFFFAOYSA-N 2 2 379.508 3.500 20 0 GHADLP Cc1noc2ccc(C[NH+]3CCC4(CCC[N@@H+]4Cc4cnn(C)c4)CC3)cc12 ZINC001248698351 1036062832 /nfs/dbraw/zinc/06/28/32/1036062832.db2.gz CRIFXTFPNVQFOW-UHFFFAOYSA-N 2 2 379.508 3.500 20 0 GHADLP COc1ccc2c(OC)ccc(C[NH+]3CCC([N@H+](C)C4CCOCC4)CC3)c2c1 ZINC001248828468 1036189291 /nfs/dbraw/zinc/18/92/91/1036189291.db2.gz REAYGNVJQBLIBW-UHFFFAOYSA-N 2 2 398.547 3.932 20 0 GHADLP COc1ccc2c(OC)ccc(C[NH+]3CCC([N@@H+](C)C4CCOCC4)CC3)c2c1 ZINC001248828468 1036189298 /nfs/dbraw/zinc/18/92/98/1036189298.db2.gz REAYGNVJQBLIBW-UHFFFAOYSA-N 2 2 398.547 3.932 20 0 GHADLP Cn1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c2c1ccnc2Cl ZINC001248837931 1036195757 /nfs/dbraw/zinc/19/57/57/1036195757.db2.gz XXWGIDNCPOXCKA-ROUUACIJSA-N 2 2 380.923 3.791 20 0 GHADLP Cc1nc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)ccc1Cl ZINC001248870127 1036214645 /nfs/dbraw/zinc/21/46/45/1036214645.db2.gz STTGLYUDWPZHBR-SFHVURJKSA-N 2 2 389.927 3.892 20 0 GHADLP Cc1nc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)ccc1Cl ZINC001248870127 1036214654 /nfs/dbraw/zinc/21/46/54/1036214654.db2.gz STTGLYUDWPZHBR-SFHVURJKSA-N 2 2 389.927 3.892 20 0 GHADLP c1cn(Cc2ccc(-c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)cc2)c[nH+]1 ZINC001243656659 1036239770 /nfs/dbraw/zinc/23/97/70/1036239770.db2.gz INLIWWNKIFKOTI-UHFFFAOYSA-N 2 2 381.483 3.947 20 0 GHADLP c1cn(Cc2ccc(-c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)cc2)c[nH+]1 ZINC001243656659 1036239786 /nfs/dbraw/zinc/23/97/86/1036239786.db2.gz INLIWWNKIFKOTI-UHFFFAOYSA-N 2 2 381.483 3.947 20 0 GHADLP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNc1cc(-c2cccc(F)c2)cc[nH+]1 ZINC001245955776 1037078881 /nfs/dbraw/zinc/07/88/81/1037078881.db2.gz HWQYQEOMFWQDHR-VQTJNVASSA-N 2 2 387.405 3.509 20 0 GHADLP CC(C)c1ccc(OC[C@@H](O)C[NH2+]C2(c3cccc(F)c3)CC[NH2+]CC2)cc1 ZINC001246007880 1037128302 /nfs/dbraw/zinc/12/83/02/1037128302.db2.gz QMEFOFNFVHDQJZ-NRFANRHFSA-N 2 2 386.511 3.557 20 0 GHADLP CC(C)c1ccc(OC[C@H](O)C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc1 ZINC001246061845 1037174014 /nfs/dbraw/zinc/17/40/14/1037174014.db2.gz WGVPJEIOFNJYJM-OAQYLSRUSA-N 2 2 380.532 3.644 20 0 GHADLP [NH3+]CCCC[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)C(=O)OCc1ccccc1 ZINC001246191208 1037229564 /nfs/dbraw/zinc/22/95/64/1037229564.db2.gz LUQYRDQOKHFHAI-VABKMULXSA-N 2 2 396.531 3.737 20 0 GHADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 ZINC001246308728 1037288754 /nfs/dbraw/zinc/28/87/54/1037288754.db2.gz OVMUPGMOCOXDRZ-LPHOPBHVSA-N 2 2 394.494 3.708 20 0 GHADLP CC(C)[C@H]1C[C@H]([NH2+]C2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246390086 1037350021 /nfs/dbraw/zinc/35/00/21/1037350021.db2.gz SPVSAHHZPWTTQP-IEBWSBKVSA-N 3 2 383.502 3.736 20 0 GHADLP COc1cc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc2ccccc21 ZINC001246518525 1037452553 /nfs/dbraw/zinc/45/25/53/1037452553.db2.gz HNZYCSASRRBIBO-XPIZARPCSA-N 2 2 383.536 3.932 20 0 GHADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC001246527749 1037461091 /nfs/dbraw/zinc/46/10/91/1037461091.db2.gz VBPZHIFJFQLAPP-VQIMIIECSA-N 2 2 393.314 3.927 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[N@H+]([C@@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246593954 1037493811 /nfs/dbraw/zinc/49/38/11/1037493811.db2.gz OGXROPZXRGVDAC-IRLDBZIGSA-N 2 2 382.479 3.772 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246593954 1037493830 /nfs/dbraw/zinc/49/38/30/1037493830.db2.gz OGXROPZXRGVDAC-IRLDBZIGSA-N 2 2 382.479 3.772 20 0 GHADLP C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H](CC(=O)NCC4CC4)c4ccccc43)CC2)C[NH2+]1 ZINC001246661006 1037533638 /nfs/dbraw/zinc/53/36/38/1037533638.db2.gz QQQKLOFSDPHWNZ-GIVPXCGWSA-N 2 2 395.591 3.564 20 0 GHADLP Cn1cnc2c1cc(C1CC[NH+]([C@@H]3CCC[NH2+]C3)CC1)nc2-c1ccccc1 ZINC001246700192 1037555245 /nfs/dbraw/zinc/55/52/45/1037555245.db2.gz ZLVURTHCZLYWMT-LJQANCHMSA-N 2 2 375.520 3.567 20 0 GHADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246710866 1037565513 /nfs/dbraw/zinc/56/55/13/1037565513.db2.gz URPJZCGGWJMGFG-ZFFYZDHPSA-N 3 2 375.560 3.852 20 0 GHADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246710866 1037565529 /nfs/dbraw/zinc/56/55/29/1037565529.db2.gz URPJZCGGWJMGFG-ZFFYZDHPSA-N 3 2 375.560 3.852 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246710866 1037565543 /nfs/dbraw/zinc/56/55/43/1037565543.db2.gz URPJZCGGWJMGFG-ZFFYZDHPSA-N 3 2 375.560 3.852 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246710866 1037565551 /nfs/dbraw/zinc/56/55/51/1037565551.db2.gz URPJZCGGWJMGFG-ZFFYZDHPSA-N 3 2 375.560 3.852 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCO[C@@]3(CCCN(c4cccc(C)c4)C3)C2)CC[NH2+]1 ZINC001246723945 1037575928 /nfs/dbraw/zinc/57/59/28/1037575928.db2.gz ZHGBQPHIUZLJQJ-GMKZXUHWSA-N 2 2 385.596 3.977 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@H+]2CCO[C@@]3(CCCN(c4cccc(C)c4)C3)C2)CC[NH2+]1 ZINC001246723945 1037575946 /nfs/dbraw/zinc/57/59/46/1037575946.db2.gz ZHGBQPHIUZLJQJ-GMKZXUHWSA-N 2 2 385.596 3.977 20 0 GHADLP CC(C)(C)[C@H]1C[C@@H]([NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC001246891919 1037706448 /nfs/dbraw/zinc/70/64/48/1037706448.db2.gz NYUCFUBONHSVCN-RBUKOAKNSA-N 2 2 383.502 3.990 20 0 GHADLP CN(C(=O)NCC1(CC2CC2)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001246908823 1037719288 /nfs/dbraw/zinc/71/92/88/1037719288.db2.gz LJYBEBAUDLTOTD-RTWAWAEBSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)NCC1(CC2CC2)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001246908823 1037719309 /nfs/dbraw/zinc/71/93/09/1037719309.db2.gz LJYBEBAUDLTOTD-RTWAWAEBSA-N 2 2 390.616 3.545 20 0 GHADLP Cc1cc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)ncn1 ZINC001246961800 1037783388 /nfs/dbraw/zinc/78/33/88/1037783388.db2.gz AVIMYPHBQHIRGK-SBHAEUEKSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1cc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)ncn1 ZINC001246961800 1037783395 /nfs/dbraw/zinc/78/33/95/1037783395.db2.gz AVIMYPHBQHIRGK-SBHAEUEKSA-N 2 2 384.499 3.569 20 0 GHADLP Fc1cccc(F)c1C[N@H+](C1CC[NH2+]CC1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246965640 1037786879 /nfs/dbraw/zinc/78/68/79/1037786879.db2.gz PRFZULYNWHFZOB-UHFFFAOYSA-N 3 2 377.523 3.831 20 0 GHADLP Fc1cccc(F)c1C[N@@H+](C1CC[NH2+]CC1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246965640 1037786894 /nfs/dbraw/zinc/78/68/94/1037786894.db2.gz PRFZULYNWHFZOB-UHFFFAOYSA-N 3 2 377.523 3.831 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4nccc5ccccc54)CC3)C2)co1 ZINC001232250175 1037974930 /nfs/dbraw/zinc/97/49/30/1037974930.db2.gz YFXAPFCHRORKOH-UHFFFAOYSA-N 2 2 377.488 3.695 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4nccc5ccccc54)CC3)C2)co1 ZINC001232250175 1037974939 /nfs/dbraw/zinc/97/49/39/1037974939.db2.gz YFXAPFCHRORKOH-UHFFFAOYSA-N 2 2 377.488 3.695 20 0 GHADLP Cc1cc(OC(F)(F)F)ccc1-c1noc(-c2ccc([C@H]([NH3+])C[NH3+])cc2)n1 ZINC001247700269 1038339183 /nfs/dbraw/zinc/33/91/83/1038339183.db2.gz LZGWXNABMZTKOK-OAHLLOKOSA-N 2 2 378.354 3.569 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3ccc(Br)c(Cl)c3)no2)cc1 ZINC001247702815 1038340187 /nfs/dbraw/zinc/34/01/87/1038340187.db2.gz ZGXKJZZXROPCEZ-CQSZACIVSA-N 2 2 393.672 3.778 20 0 GHADLP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc([C@@H]([NH3+])C3CCCCC3)n2)c1 ZINC001247820639 1038406186 /nfs/dbraw/zinc/40/61/86/1038406186.db2.gz KHNZJCFJDMRYQP-IBGZPJMESA-N 2 2 379.464 3.705 20 0 GHADLP Clc1cc(Br)ccc1-c1noc([C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001247860852 1038431630 /nfs/dbraw/zinc/43/16/30/1038431630.db2.gz MRMRUDZICJFLBC-ZDUSSCGKSA-N 2 2 397.704 3.699 20 0 GHADLP COc1ccccc1-c1ccccc1-c1noc([C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001247869883 1038438657 /nfs/dbraw/zinc/43/86/57/1038438657.db2.gz ZBRZZYOFDMBIKH-LJQANCHMSA-N 2 2 390.487 3.959 20 0 GHADLP c1cn(-c2ccccc2-c2noc([C@@H]3Oc4ccccc4C34CC[NH2+]CC4)n2)c[nH+]1 ZINC001247899869 1038473718 /nfs/dbraw/zinc/47/37/18/1038473718.db2.gz WHYLEUNHOSHLLD-FQEVSTJZSA-N 2 2 399.454 3.677 20 0 GHADLP Cc1ncc(F)cc1C[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001232987890 1038752449 /nfs/dbraw/zinc/75/24/49/1038752449.db2.gz GEZLBYLNSBJIDC-UHFFFAOYSA-N 2 2 380.467 3.707 20 0 GHADLP Cc1ncc(F)cc1C[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001232987890 1038752457 /nfs/dbraw/zinc/75/24/57/1038752457.db2.gz GEZLBYLNSBJIDC-UHFFFAOYSA-N 2 2 380.467 3.707 20 0 GHADLP Cc1ncc(F)cc1C[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001232987890 1038752464 /nfs/dbraw/zinc/75/24/64/1038752464.db2.gz GEZLBYLNSBJIDC-UHFFFAOYSA-N 2 2 380.467 3.707 20 0 GHADLP Cc1ncc(F)cc1C[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001232987890 1038752471 /nfs/dbraw/zinc/75/24/71/1038752471.db2.gz GEZLBYLNSBJIDC-UHFFFAOYSA-N 2 2 380.467 3.707 20 0 GHADLP Cc1nc([C@H]2CC[N@H+](C[C@]3(C(C)(C)C)CC[NH+](Cc4ccccc4)C3)C2)n[nH]1 ZINC001462317853 1070165471 /nfs/dbraw/zinc/16/54/71/1070165471.db2.gz YKQYOWNREAAWOH-NZQKXSOJSA-N 2 2 381.568 3.841 20 0 GHADLP Cc1nc([C@H]2CC[N@@H+](C[C@]3(C(C)(C)C)CC[NH+](Cc4ccccc4)C3)C2)n[nH]1 ZINC001462317853 1070165474 /nfs/dbraw/zinc/16/54/74/1070165474.db2.gz YKQYOWNREAAWOH-NZQKXSOJSA-N 2 2 381.568 3.841 20 0 GHADLP Cc1nc([C@H]2CC[NH+](C[C@]3(C(C)(C)C)CC[N@H+](Cc4ccccc4)C3)C2)n[nH]1 ZINC001462317853 1070165484 /nfs/dbraw/zinc/16/54/84/1070165484.db2.gz YKQYOWNREAAWOH-NZQKXSOJSA-N 2 2 381.568 3.841 20 0 GHADLP Cc1nc([C@H]2CC[NH+](C[C@]3(C(C)(C)C)CC[N@@H+](Cc4ccccc4)C3)C2)n[nH]1 ZINC001462317853 1070165490 /nfs/dbraw/zinc/16/54/90/1070165490.db2.gz YKQYOWNREAAWOH-NZQKXSOJSA-N 2 2 381.568 3.841 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc4cccnc4s3)CC2)C1 ZINC001233346125 1039154514 /nfs/dbraw/zinc/15/45/14/1039154514.db2.gz RNRXZWJEEPBOIK-KRWDZBQOSA-N 2 2 387.549 3.536 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc4cccnc4s3)CC2)C1 ZINC001233346125 1039154526 /nfs/dbraw/zinc/15/45/26/1039154526.db2.gz RNRXZWJEEPBOIK-KRWDZBQOSA-N 2 2 387.549 3.536 20 0 GHADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC001253377716 1039587852 /nfs/dbraw/zinc/58/78/52/1039587852.db2.gz VINJYPHVWAGFHW-NRFANRHFSA-N 2 2 378.438 3.700 20 0 GHADLP CCCCC[C@@H](O)C[NH2+]C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001253554327 1039701618 /nfs/dbraw/zinc/70/16/18/1039701618.db2.gz KYFSAROIUJQRQC-RPWUZVMVSA-N 2 2 384.564 3.581 20 0 GHADLP COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)[C@H]1c1ccccc1 ZINC001234044142 1039783555 /nfs/dbraw/zinc/78/35/55/1039783555.db2.gz VCIXAJYHIQOETH-KNQAVFIVSA-N 2 2 391.471 3.617 20 0 GHADLP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)[C@H]1c1ccccc1 ZINC001234044142 1039783572 /nfs/dbraw/zinc/78/35/72/1039783572.db2.gz VCIXAJYHIQOETH-KNQAVFIVSA-N 2 2 391.471 3.617 20 0 GHADLP COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)ccc1-n1cc[nH+]c1 ZINC001234050582 1039786297 /nfs/dbraw/zinc/78/62/97/1039786297.db2.gz HEOWHCXNWJMLLM-URVUXULASA-N 2 2 381.520 3.908 20 0 GHADLP COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)ccc1-n1cc[nH+]c1 ZINC001234050582 1039786306 /nfs/dbraw/zinc/78/63/06/1039786306.db2.gz HEOWHCXNWJMLLM-URVUXULASA-N 2 2 381.520 3.908 20 0 GHADLP CC(C)Oc1ccccc1OC[C@@H](O)C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001254005368 1039947086 /nfs/dbraw/zinc/94/70/86/1039947086.db2.gz IZZDSVQFOJIWSS-NRFANRHFSA-N 2 2 390.568 3.552 20 0 GHADLP CC(C)Oc1ccccc1OC[C@@H](O)C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001254005368 1039947089 /nfs/dbraw/zinc/94/70/89/1039947089.db2.gz IZZDSVQFOJIWSS-NRFANRHFSA-N 2 2 390.568 3.552 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)C1 ZINC001254194072 1040044021 /nfs/dbraw/zinc/04/40/21/1040044021.db2.gz SDEZIIHMGHHGLB-IBGZPJMESA-N 2 2 391.531 3.865 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)[nH+]c1 ZINC001254207996 1040060874 /nfs/dbraw/zinc/06/08/74/1040060874.db2.gz BRJLJNRBHLVDIE-LJQANCHMSA-N 2 2 388.556 3.738 20 0 GHADLP COc1cc(C)c(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1OCc1ccccc1 ZINC001234518430 1040095748 /nfs/dbraw/zinc/09/57/48/1040095748.db2.gz JGYUSAGJTRRIPT-ZJSXRUAMSA-N 2 2 380.532 3.966 20 0 GHADLP COc1cc(C)c(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1OCc1ccccc1 ZINC001234518430 1040095767 /nfs/dbraw/zinc/09/57/67/1040095767.db2.gz JGYUSAGJTRRIPT-ZJSXRUAMSA-N 2 2 380.532 3.966 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001254301733 1040153751 /nfs/dbraw/zinc/15/37/51/1040153751.db2.gz CXCIXZKBHZQIRT-KRWDZBQOSA-N 2 2 375.513 3.714 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](C4CCc5ccccc5CC4)CC3)C2)co1 ZINC001254457686 1040243005 /nfs/dbraw/zinc/24/30/05/1040243005.db2.gz HLXGJXCFXLIRMW-UHFFFAOYSA-N 2 2 380.532 3.894 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](C4CCc5ccccc5CC4)CC3)C2)co1 ZINC001254457686 1040243020 /nfs/dbraw/zinc/24/30/20/1040243020.db2.gz HLXGJXCFXLIRMW-UHFFFAOYSA-N 2 2 380.532 3.894 20 0 GHADLP CCC[C@H](CCc1ccccc1)[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001254495406 1040281242 /nfs/dbraw/zinc/28/12/42/1040281242.db2.gz VYIDGGPRGPGPEU-HXUWFJFHSA-N 2 2 378.524 3.530 20 0 GHADLP CCC[C@H](CCc1ccccc1)[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001254495406 1040281253 /nfs/dbraw/zinc/28/12/53/1040281253.db2.gz VYIDGGPRGPGPEU-HXUWFJFHSA-N 2 2 378.524 3.530 20 0 GHADLP C[N@@H+]1CCC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)CC1 ZINC001254525239 1040299237 /nfs/dbraw/zinc/29/92/37/1040299237.db2.gz HRQMJOMNXYYUSC-LEWJYISDSA-N 2 2 387.568 3.635 20 0 GHADLP C[N@H+]1CCC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)CC1 ZINC001254525239 1040299250 /nfs/dbraw/zinc/29/92/50/1040299250.db2.gz HRQMJOMNXYYUSC-LEWJYISDSA-N 2 2 387.568 3.635 20 0 GHADLP C[NH+]1CCC[C@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)CC1 ZINC001254525239 1040299260 /nfs/dbraw/zinc/29/92/60/1040299260.db2.gz HRQMJOMNXYYUSC-LEWJYISDSA-N 2 2 387.568 3.635 20 0 GHADLP C[NH+]1CCC[C@H]([N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)CC1 ZINC001254525239 1040299269 /nfs/dbraw/zinc/29/92/69/1040299269.db2.gz HRQMJOMNXYYUSC-LEWJYISDSA-N 2 2 387.568 3.635 20 0 GHADLP COc1ccc(Oc2cccc(C[N@@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)c2)cc1 ZINC001235004935 1040497231 /nfs/dbraw/zinc/49/72/31/1040497231.db2.gz CUIAINULNJUFBC-QHCPKHFHSA-N 2 2 382.504 3.690 20 0 GHADLP COc1ccc(Oc2cccc(C[N@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)c2)cc1 ZINC001235004935 1040497242 /nfs/dbraw/zinc/49/72/42/1040497242.db2.gz CUIAINULNJUFBC-QHCPKHFHSA-N 2 2 382.504 3.690 20 0 GHADLP CC(C)Oc1ccc(-c2ccc(C[N@@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cn2)cc1 ZINC001235024328 1040516168 /nfs/dbraw/zinc/51/61/68/1040516168.db2.gz ZEAMSFITGDVRIY-DEOSSOPVSA-N 2 2 395.547 3.738 20 0 GHADLP CC(C)Oc1ccc(-c2ccc(C[N@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cn2)cc1 ZINC001235024328 1040516189 /nfs/dbraw/zinc/51/61/89/1040516189.db2.gz ZEAMSFITGDVRIY-DEOSSOPVSA-N 2 2 395.547 3.738 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C1)CCC([N@@H+]1Cc3ccccc3C[C@H]1C[NH3+])CC2 ZINC001254875996 1040621301 /nfs/dbraw/zinc/62/13/01/1040621301.db2.gz SZJREQUHOMXJLK-DQBMGFJSSA-N 2 2 399.579 3.942 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C1)CCC([N@H+]1Cc3ccccc3C[C@H]1C[NH3+])CC2 ZINC001254875996 1040621322 /nfs/dbraw/zinc/62/13/22/1040621322.db2.gz SZJREQUHOMXJLK-DQBMGFJSSA-N 2 2 399.579 3.942 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](n3c[nH+]cc3-c3ccc(C[NH3+])cc3)C[C@@H]2C1 ZINC001254902360 1040657368 /nfs/dbraw/zinc/65/73/68/1040657368.db2.gz TVHNKVQBRPOYOY-BWTSREIZSA-N 2 2 382.508 3.827 20 0 GHADLP Clc1ccc(Cn2cc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c3ccccc32)cn1 ZINC001235192904 1040682389 /nfs/dbraw/zinc/68/23/89/1040682389.db2.gz HBWOVSMVFHGYHI-QZTJIDSGSA-N 2 2 380.923 3.779 20 0 GHADLP Clc1ccc(Cn2cc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c3ccccc32)cn1 ZINC001235192904 1040682396 /nfs/dbraw/zinc/68/23/96/1040682396.db2.gz HBWOVSMVFHGYHI-QZTJIDSGSA-N 2 2 380.923 3.779 20 0 GHADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(-c3ccc(Cl)cn3)cc1)C2 ZINC001235234233 1040714303 /nfs/dbraw/zinc/71/43/03/1040714303.db2.gz WQFSSBOSPZVZJN-YJBOKZPZSA-N 2 2 381.829 3.986 20 0 GHADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc(-c3ccc(Cl)cn3)cc1)C2 ZINC001235234233 1040714322 /nfs/dbraw/zinc/71/43/22/1040714322.db2.gz WQFSSBOSPZVZJN-YJBOKZPZSA-N 2 2 381.829 3.986 20 0 GHADLP Brc1cccc2nc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)oc21 ZINC001235236281 1040716268 /nfs/dbraw/zinc/71/62/68/1040716268.db2.gz DMYHQNNJQMJESK-OAHLLOKOSA-N 2 2 378.314 3.944 20 0 GHADLP O[C@@H](C[NH2+]C1Cc2ccccc2C1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001255016384 1040730126 /nfs/dbraw/zinc/73/01/26/1040730126.db2.gz RKBPGXFZGXYBDR-SANMLTNESA-N 2 2 386.539 3.807 20 0 GHADLP FC(F)(F)Oc1cc(Br)ccc1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235334855 1040805441 /nfs/dbraw/zinc/80/54/41/1040805441.db2.gz IIPBRKHEWPMOKR-UHFFFAOYSA-N 2 2 393.247 3.779 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255142143 1040851518 /nfs/dbraw/zinc/85/15/18/1040851518.db2.gz PRKGLQVGGNKQEB-XETXSBNLSA-N 2 2 397.563 3.876 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255142143 1040851526 /nfs/dbraw/zinc/85/15/26/1040851526.db2.gz PRKGLQVGGNKQEB-XETXSBNLSA-N 2 2 397.563 3.876 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[NH+]2[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255142143 1040851546 /nfs/dbraw/zinc/85/15/46/1040851546.db2.gz PRKGLQVGGNKQEB-XETXSBNLSA-N 2 2 397.563 3.876 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[NH+]2[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255142143 1040851550 /nfs/dbraw/zinc/85/15/50/1040851550.db2.gz PRKGLQVGGNKQEB-XETXSBNLSA-N 2 2 397.563 3.876 20 0 GHADLP CN(C)c1ccnc(Cl)c1C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235377348 1040890216 /nfs/dbraw/zinc/89/02/16/1040890216.db2.gz APRVCLRKMPBKFZ-GCJKJVERSA-N 2 2 384.955 3.554 20 0 GHADLP CN(C)c1ccnc(Cl)c1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235377348 1040890233 /nfs/dbraw/zinc/89/02/33/1040890233.db2.gz APRVCLRKMPBKFZ-GCJKJVERSA-N 2 2 384.955 3.554 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC([NH3+])(c3ccccc3Cl)CC1)C2 ZINC001255190903 1040897153 /nfs/dbraw/zinc/89/71/53/1040897153.db2.gz BWHRPHJVDNEUNH-FVQHAEBGSA-N 2 2 391.943 3.742 20 0 GHADLP CC(C)n1cnc2c1cc(C1CC[NH+](C[C@@H]3CCC[NH2+]3)CC1)nc2N1CCCC1 ZINC001235452120 1040945025 /nfs/dbraw/zinc/94/50/25/1040945025.db2.gz CCQSNPBWNJMODF-IBGZPJMESA-N 2 2 396.583 3.544 20 0 GHADLP CCOc1cccc(N2CC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)n1 ZINC001255407776 1040995256 /nfs/dbraw/zinc/99/52/56/1040995256.db2.gz DFAPJPTTWNECOJ-QFIPXVFZSA-N 2 2 394.563 3.657 20 0 GHADLP CCOc1cccc(N2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)n1 ZINC001255407776 1040995261 /nfs/dbraw/zinc/99/52/61/1040995261.db2.gz DFAPJPTTWNECOJ-QFIPXVFZSA-N 2 2 394.563 3.657 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCN4CCc5ccccc5[C@@H]4C3)CC2)cc1 ZINC001255409534 1040996918 /nfs/dbraw/zinc/99/69/18/1040996918.db2.gz ZTIDESJOJYQOFW-ZCYQVOJMSA-N 2 2 375.560 3.956 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCN4CCc5ccccc5[C@@H]4C3)CC2)cc1 ZINC001255409534 1040996937 /nfs/dbraw/zinc/99/69/37/1040996937.db2.gz ZTIDESJOJYQOFW-ZCYQVOJMSA-N 2 2 375.560 3.956 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CCN4CCc5ccccc5[C@@H]4C3)CC2)cc1 ZINC001255409534 1040996939 /nfs/dbraw/zinc/99/69/39/1040996939.db2.gz ZTIDESJOJYQOFW-ZCYQVOJMSA-N 2 2 375.560 3.956 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CCN4CCc5ccccc5[C@@H]4C3)CC2)cc1 ZINC001255409534 1040996940 /nfs/dbraw/zinc/99/69/40/1040996940.db2.gz ZTIDESJOJYQOFW-ZCYQVOJMSA-N 2 2 375.560 3.956 20 0 GHADLP CC(C)(C)OC(=O)n1cccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001235625374 1041054812 /nfs/dbraw/zinc/05/48/12/1041054812.db2.gz JZXNUULTRXPXQF-UXHICEINSA-N 2 2 396.535 3.620 20 0 GHADLP CC(C)(C)OC(=O)n1cccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001235625374 1041054869 /nfs/dbraw/zinc/05/48/69/1041054869.db2.gz JZXNUULTRXPXQF-UXHICEINSA-N 2 2 396.535 3.620 20 0 GHADLP CC(C)(C)OC(=O)n1cccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001235625374 1041054898 /nfs/dbraw/zinc/05/48/98/1041054898.db2.gz JZXNUULTRXPXQF-UXHICEINSA-N 2 2 396.535 3.620 20 0 GHADLP CC(C)(C)OC(=O)n1cccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001235625374 1041054972 /nfs/dbraw/zinc/05/49/72/1041054972.db2.gz JZXNUULTRXPXQF-UXHICEINSA-N 2 2 396.535 3.620 20 0 GHADLP Oc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1OC(F)(F)F ZINC001235668993 1041126474 /nfs/dbraw/zinc/12/64/74/1041126474.db2.gz SSSKWQJTONDMTC-HUUCEWRRSA-N 2 2 398.450 3.916 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1nc3cc(F)ccc3[nH]1)CC2 ZINC001235689411 1041160342 /nfs/dbraw/zinc/16/03/42/1041160342.db2.gz PJQZKUBGCFIPEK-QGZVFWFLSA-N 2 2 398.482 3.551 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1nc3cc(F)ccc3[nH]1)CC2 ZINC001235689411 1041160354 /nfs/dbraw/zinc/16/03/54/1041160354.db2.gz PJQZKUBGCFIPEK-QGZVFWFLSA-N 2 2 398.482 3.551 20 0 GHADLP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001235712635 1041195125 /nfs/dbraw/zinc/19/51/25/1041195125.db2.gz MNHZHRAOASYHBB-UHFFFAOYSA-N 3 2 388.559 3.841 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001235712635 1041195140 /nfs/dbraw/zinc/19/51/40/1041195140.db2.gz MNHZHRAOASYHBB-UHFFFAOYSA-N 3 2 388.559 3.841 20 0 GHADLP Cc1ccc(I)cc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001235786046 1041273974 /nfs/dbraw/zinc/27/39/74/1041273974.db2.gz BWYHOSRNNDDHDE-UHFFFAOYSA-N 2 2 386.321 3.904 20 0 GHADLP Cc1ccc(I)cc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001235786046 1041273994 /nfs/dbraw/zinc/27/39/94/1041273994.db2.gz BWYHOSRNNDDHDE-UHFFFAOYSA-N 2 2 386.321 3.904 20 0 GHADLP COCCC[N@H+](Cc1ccc(OCc2cccc(F)c2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235805314 1041313575 /nfs/dbraw/zinc/31/35/75/1041313575.db2.gz DDTYYJXOKSFRQN-JOCHJYFZSA-N 2 2 386.511 3.995 20 0 GHADLP COCCC[N@@H+](Cc1ccc(OCc2cccc(F)c2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235805314 1041313588 /nfs/dbraw/zinc/31/35/88/1041313588.db2.gz DDTYYJXOKSFRQN-JOCHJYFZSA-N 2 2 386.511 3.995 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001255897347 1041381029 /nfs/dbraw/zinc/38/10/29/1041381029.db2.gz YOZWPCDTKQPZDO-UHFFFAOYSA-N 2 2 384.443 3.719 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC001255913001 1041395463 /nfs/dbraw/zinc/39/54/63/1041395463.db2.gz AEQOBOSGWNTXFJ-QFIPXVFZSA-N 2 2 399.579 3.909 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC001255913001 1041395476 /nfs/dbraw/zinc/39/54/76/1041395476.db2.gz AEQOBOSGWNTXFJ-QFIPXVFZSA-N 2 2 399.579 3.909 20 0 GHADLP C[C@H](C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001462541869 1070342994 /nfs/dbraw/zinc/34/29/94/1070342994.db2.gz HMZSLZPQZCHABF-MRXNPFEDSA-N 2 2 397.485 3.615 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 ZINC001255961391 1041440259 /nfs/dbraw/zinc/44/02/59/1041440259.db2.gz CZWZOPQUWRMSIE-QZNHQXDQSA-N 2 2 389.584 3.590 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 ZINC001255961391 1041440265 /nfs/dbraw/zinc/44/02/65/1041440265.db2.gz CZWZOPQUWRMSIE-QZNHQXDQSA-N 2 2 389.584 3.590 20 0 GHADLP COCCC[N@H+](Cc1cc(Br)ccc1Cl)C1CC[NH2+]CC1 ZINC001235937797 1041444248 /nfs/dbraw/zinc/44/42/48/1041444248.db2.gz QSFCPUROGJRSKB-UHFFFAOYSA-N 2 2 375.738 3.693 20 0 GHADLP COCCC[N@@H+](Cc1cc(Br)ccc1Cl)C1CC[NH2+]CC1 ZINC001235937797 1041444255 /nfs/dbraw/zinc/44/42/55/1041444255.db2.gz QSFCPUROGJRSKB-UHFFFAOYSA-N 2 2 375.738 3.693 20 0 GHADLP O=C(NC1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001256082411 1041514443 /nfs/dbraw/zinc/51/44/43/1041514443.db2.gz ZJXBFOVMIKYBMZ-UHFFFAOYSA-N 2 2 395.469 3.526 20 0 GHADLP COC(=O)[C@@H]([NH3+])C1CC[NH+](Cc2c(Cl)cc(C(F)(F)F)cc2Cl)CC1 ZINC001236065399 1041518000 /nfs/dbraw/zinc/51/80/00/1041518000.db2.gz FTCZVOUZNSWJNQ-AWEZNQCLSA-N 2 2 399.240 3.725 20 0 GHADLP CC[N@H+](Cc1cccc(CN2CC[NH2+]CC2)c1)Cc1c(F)cccc1Cl ZINC001236103701 1041534216 /nfs/dbraw/zinc/53/42/16/1041534216.db2.gz CKBFLABATJRGEB-UHFFFAOYSA-N 2 2 375.919 3.906 20 0 GHADLP CC[N@@H+](Cc1cccc(CN2CC[NH2+]CC2)c1)Cc1c(F)cccc1Cl ZINC001236103701 1041534250 /nfs/dbraw/zinc/53/42/50/1041534250.db2.gz CKBFLABATJRGEB-UHFFFAOYSA-N 2 2 375.919 3.906 20 0 GHADLP COc1ccc(C[C@@H](C)[N@H+](Cc2cn3c(n2)C[NH2+]CC3)Cc2ccccc2)cc1 ZINC001236106580 1041538105 /nfs/dbraw/zinc/53/81/05/1041538105.db2.gz GKMHLEZXMCLQRU-LJQANCHMSA-N 2 2 390.531 3.628 20 0 GHADLP COc1ccc(C[C@@H](C)[N@@H+](Cc2cn3c(n2)C[NH2+]CC3)Cc2ccccc2)cc1 ZINC001236106580 1041538155 /nfs/dbraw/zinc/53/81/55/1041538155.db2.gz GKMHLEZXMCLQRU-LJQANCHMSA-N 2 2 390.531 3.628 20 0 GHADLP C[N@H+](Cc1ccc(Cl)c(I)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219240 1041627244 /nfs/dbraw/zinc/62/72/44/1041627244.db2.gz UYGNLDPEWTZJBS-ZIAGYGMSSA-N 2 2 378.685 3.646 20 0 GHADLP C[N@@H+](Cc1ccc(Cl)c(I)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219240 1041627251 /nfs/dbraw/zinc/62/72/51/1041627251.db2.gz UYGNLDPEWTZJBS-ZIAGYGMSSA-N 2 2 378.685 3.646 20 0 GHADLP C[NH+]1CCN(c2ccc(-c3cccc(Cl)c3C[NH+]3CCOCC3)cc2)CC1 ZINC001236277729 1041654673 /nfs/dbraw/zinc/65/46/73/1041654673.db2.gz KXCNJLYBQZOIEH-UHFFFAOYSA-N 2 2 385.939 3.591 20 0 GHADLP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](C(F)(F)F)C3)cc2)cc1 ZINC001236356976 1041681388 /nfs/dbraw/zinc/68/13/88/1041681388.db2.gz LEDBZBCDHVNUIU-RTBURBONSA-N 2 2 392.421 3.852 20 0 GHADLP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H](C(F)(F)F)C3)cc2)cc1 ZINC001236356976 1041681390 /nfs/dbraw/zinc/68/13/90/1041681390.db2.gz LEDBZBCDHVNUIU-RTBURBONSA-N 2 2 392.421 3.852 20 0 GHADLP Cc1cccn2c(CN(Cc3c(F)cc(F)cc3F)C3CC[NH2+]CC3)c[nH+]c12 ZINC001236496006 1041739598 /nfs/dbraw/zinc/73/95/98/1041739598.db2.gz VGIZMOSIYAYTIS-UHFFFAOYSA-N 2 2 388.437 3.814 20 0 GHADLP CCOc1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1F ZINC001236694553 1041836844 /nfs/dbraw/zinc/83/68/44/1041836844.db2.gz TWTLMBZACIVLLM-VCOUNFBDSA-N 2 2 398.526 3.747 20 0 GHADLP CCOc1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1F ZINC001236694553 1041836849 /nfs/dbraw/zinc/83/68/49/1041836849.db2.gz TWTLMBZACIVLLM-VCOUNFBDSA-N 2 2 398.526 3.747 20 0 GHADLP CCOc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1F ZINC001236694553 1041836854 /nfs/dbraw/zinc/83/68/54/1041836854.db2.gz TWTLMBZACIVLLM-VCOUNFBDSA-N 2 2 398.526 3.747 20 0 GHADLP CCOc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1F ZINC001236694553 1041836861 /nfs/dbraw/zinc/83/68/61/1041836861.db2.gz TWTLMBZACIVLLM-VCOUNFBDSA-N 2 2 398.526 3.747 20 0 GHADLP COc1ccc(CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@H](C)O)cc1 ZINC001236905321 1041949238 /nfs/dbraw/zinc/94/92/38/1041949238.db2.gz ZIFNCBCJOBFCST-KRWDZBQOSA-N 2 2 399.922 3.960 20 0 GHADLP COc1ccc(CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@H](C)O)cc1 ZINC001236905321 1041949244 /nfs/dbraw/zinc/94/92/44/1041949244.db2.gz ZIFNCBCJOBFCST-KRWDZBQOSA-N 2 2 399.922 3.960 20 0 GHADLP O=C(NC1CCC1)[C@@H]1CC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)CC2 ZINC001236907082 1041950773 /nfs/dbraw/zinc/95/07/73/1041950773.db2.gz ZOABNTCBCHDEPF-SFHVURJKSA-N 2 2 398.938 3.797 20 0 GHADLP CC(C)N1CCC2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC2)C1=O ZINC001236908306 1041951016 /nfs/dbraw/zinc/95/10/16/1041951016.db2.gz FXASVMBNQPQOIP-UHFFFAOYSA-N 2 2 386.927 3.749 20 0 GHADLP COc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)nc1 ZINC001236908914 1041951824 /nfs/dbraw/zinc/95/18/24/1041951824.db2.gz KOMNYANGNHNLET-GOSISDBHSA-N 2 2 398.894 3.973 20 0 GHADLP COc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)nc1 ZINC001236908914 1041951827 /nfs/dbraw/zinc/95/18/27/1041951827.db2.gz KOMNYANGNHNLET-GOSISDBHSA-N 2 2 398.894 3.973 20 0 GHADLP CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236911833 1041953184 /nfs/dbraw/zinc/95/31/84/1041953184.db2.gz LTHQNXPLARFAIN-UHFFFAOYSA-N 2 2 378.904 3.872 20 0 GHADLP CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236911833 1041953188 /nfs/dbraw/zinc/95/31/88/1041953188.db2.gz LTHQNXPLARFAIN-UHFFFAOYSA-N 2 2 378.904 3.872 20 0 GHADLP CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236915014 1041955502 /nfs/dbraw/zinc/95/55/02/1041955502.db2.gz YDEUZLMGDHKUPH-IBGZPJMESA-N 2 2 388.943 3.601 20 0 GHADLP CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236915014 1041955503 /nfs/dbraw/zinc/95/55/03/1041955503.db2.gz YDEUZLMGDHKUPH-IBGZPJMESA-N 2 2 388.943 3.601 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236915168 1041955757 /nfs/dbraw/zinc/95/57/57/1041955757.db2.gz ZNCBJWUZZDYSIC-INIZCTEOSA-N 2 2 390.915 3.872 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236915168 1041955758 /nfs/dbraw/zinc/95/57/58/1041955758.db2.gz ZNCBJWUZZDYSIC-INIZCTEOSA-N 2 2 390.915 3.872 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1C[NH+]1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001236916187 1041956408 /nfs/dbraw/zinc/95/64/08/1041956408.db2.gz BBCPIPPHWCHOSZ-IRXDYDNUSA-N 2 2 399.951 3.546 20 0 GHADLP COC(=O)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@H]1c1ccccc1 ZINC001236929153 1041962432 /nfs/dbraw/zinc/96/24/32/1041962432.db2.gz PBLIROJPHODRJX-PMACEKPBSA-N 2 2 395.890 3.914 20 0 GHADLP COC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@H]1c1ccccc1 ZINC001236929153 1041962436 /nfs/dbraw/zinc/96/24/36/1041962436.db2.gz PBLIROJPHODRJX-PMACEKPBSA-N 2 2 395.890 3.914 20 0 GHADLP Cc1ccc([C@@]2(C)C[N@H+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)CCO2)cc1 ZINC001236973999 1041974425 /nfs/dbraw/zinc/97/44/25/1041974425.db2.gz NTEQWYNEDIVROS-XMMPIXPASA-N 2 2 397.538 3.634 20 0 GHADLP Cc1ccc([C@@]2(C)C[N@@H+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)CCO2)cc1 ZINC001236973999 1041974431 /nfs/dbraw/zinc/97/44/31/1041974431.db2.gz NTEQWYNEDIVROS-XMMPIXPASA-N 2 2 397.538 3.634 20 0 GHADLP Fc1ccccc1-c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cn1 ZINC001236989538 1041980083 /nfs/dbraw/zinc/98/00/83/1041980083.db2.gz PYUNKOUQNNHQSJ-SFTDATJTSA-N 2 2 388.490 3.847 20 0 GHADLP COc1cccc2c(C[N@@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)ccnc12 ZINC001237107089 1042040688 /nfs/dbraw/zinc/04/06/88/1042040688.db2.gz ATJWGTYFERYXQC-NZQKXSOJSA-N 2 2 395.547 3.566 20 0 GHADLP COc1cccc2c(C[N@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)ccnc12 ZINC001237107089 1042040689 /nfs/dbraw/zinc/04/06/89/1042040689.db2.gz ATJWGTYFERYXQC-NZQKXSOJSA-N 2 2 395.547 3.566 20 0 GHADLP COc1cccc2c(C[NH+]3C[C@@H]4C[N@H+](CC5CCCC5)CCO[C@@H]4C3)ccnc12 ZINC001237107089 1042040690 /nfs/dbraw/zinc/04/06/90/1042040690.db2.gz ATJWGTYFERYXQC-NZQKXSOJSA-N 2 2 395.547 3.566 20 0 GHADLP COc1cccc2c(C[NH+]3C[C@@H]4C[N@@H+](CC5CCCC5)CCO[C@@H]4C3)ccnc12 ZINC001237107089 1042040691 /nfs/dbraw/zinc/04/06/91/1042040691.db2.gz ATJWGTYFERYXQC-NZQKXSOJSA-N 2 2 395.547 3.566 20 0 GHADLP FC(F)(F)c1ccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)C[NH2+]CCO4)cc2)cc1 ZINC001237142729 1042062093 /nfs/dbraw/zinc/06/20/93/1042062093.db2.gz OZFATCRGQUUHKW-HXUWFJFHSA-N 2 2 376.422 3.937 20 0 GHADLP FC(F)(F)c1ccc(-c2ccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CCO4)cc2)cc1 ZINC001237142729 1042062099 /nfs/dbraw/zinc/06/20/99/1042062099.db2.gz OZFATCRGQUUHKW-HXUWFJFHSA-N 2 2 376.422 3.937 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)C[NH2+]CCO4)cc2)cc1 ZINC001237143523 1042062852 /nfs/dbraw/zinc/06/28/52/1042062852.db2.gz RVSCJKKTSNFCMQ-HXUWFJFHSA-N 2 2 392.421 3.817 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CCO4)cc2)cc1 ZINC001237143523 1042062858 /nfs/dbraw/zinc/06/28/58/1042062858.db2.gz RVSCJKKTSNFCMQ-HXUWFJFHSA-N 2 2 392.421 3.817 20 0 GHADLP Cc1ccc(I)cc1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237155979 1042067757 /nfs/dbraw/zinc/06/77/57/1042067757.db2.gz LWHSJGZINJXEHT-KRWDZBQOSA-N 2 2 384.305 3.706 20 0 GHADLP Cc1ccc(I)cc1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237155979 1042067761 /nfs/dbraw/zinc/06/77/61/1042067761.db2.gz LWHSJGZINJXEHT-KRWDZBQOSA-N 2 2 384.305 3.706 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(-c4ccc(O)cc4)cc3)CC2)c1 ZINC001237668328 1042313378 /nfs/dbraw/zinc/31/33/78/1042313378.db2.gz JASYBQPQDHMBKZ-UHFFFAOYSA-N 2 2 375.472 3.785 20 0 GHADLP CCOC[C@H]1C[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)Cc2c1cnn2C ZINC001237876526 1042405499 /nfs/dbraw/zinc/40/54/99/1042405499.db2.gz GLVUFXWAFJRQHL-LJQANCHMSA-N 2 2 380.536 3.557 20 0 GHADLP CCOC[C@H]1C[N@@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)Cc2c1cnn2C ZINC001237876526 1042405502 /nfs/dbraw/zinc/40/55/02/1042405502.db2.gz GLVUFXWAFJRQHL-LJQANCHMSA-N 2 2 380.536 3.557 20 0 GHADLP c1cc(-c2ccc(OCC[NH+]3CCOCC3)cc2)cc2c1C1(CC2)CC[NH2+]CC1 ZINC001240449288 1042930517 /nfs/dbraw/zinc/93/05/17/1042930517.db2.gz FKRGTJQXRLLSBM-UHFFFAOYSA-N 2 2 392.543 3.632 20 0 GHADLP CC[NH+](CC)CCn1c(NCc2ccc(/C=C/C(=O)OC)o2)[nH+]c2ccccc21 ZINC001462691673 1070474869 /nfs/dbraw/zinc/47/48/69/1070474869.db2.gz UTPHQRHFDSAIOG-OUKQBFOZSA-N 2 2 396.491 3.769 20 0 GHADLP C[C@H]1C[C@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CCN1C(=O)OC(C)(C)C ZINC001256490642 1043427321 /nfs/dbraw/zinc/42/73/21/1043427321.db2.gz UDZDHMHGSMTKLI-DOTOQJQBSA-N 2 2 392.519 3.567 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(O)c1 ZINC001256529549 1043458101 /nfs/dbraw/zinc/45/81/01/1043458101.db2.gz VHMCYNHODCIQHH-XJABCFGWSA-N 2 2 382.504 3.639 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(O)c1 ZINC001256529549 1043458105 /nfs/dbraw/zinc/45/81/05/1043458105.db2.gz VHMCYNHODCIQHH-XJABCFGWSA-N 2 2 382.504 3.639 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OC3CCOCC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC001256534624 1043469317 /nfs/dbraw/zinc/46/93/17/1043469317.db2.gz SWASBYKXYSDYTL-FPOVZHCZSA-N 2 2 395.547 3.782 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OC3CCOCC3)n2)CC[N@H+]1Cc1ccccc1 ZINC001256534624 1043469335 /nfs/dbraw/zinc/46/93/35/1043469335.db2.gz SWASBYKXYSDYTL-FPOVZHCZSA-N 2 2 395.547 3.782 20 0 GHADLP O=C1Cc2ccccc2N1C1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256606643 1043569492 /nfs/dbraw/zinc/56/94/92/1043569492.db2.gz ABLISUMIFSLFQY-UHFFFAOYSA-N 2 2 389.543 3.705 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001257031848 1043810442 /nfs/dbraw/zinc/81/04/42/1043810442.db2.gz HGIPYYDWLDLHJJ-APWZRJJASA-N 2 2 398.469 3.991 20 0 GHADLP CC(C)[C@H]1C[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257207045 1043936830 /nfs/dbraw/zinc/93/68/30/1043936830.db2.gz YBPQDRFEZUBZTR-RBUKOAKNSA-N 2 2 376.545 3.944 20 0 GHADLP Cc1cc(Br)ccc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC001257224314 1043941639 /nfs/dbraw/zinc/94/16/39/1043941639.db2.gz XSHHEUUWOYPVGC-UHFFFAOYSA-N 2 2 380.374 3.752 20 0 GHADLP COc1ccc(C[C@H](C)[N@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001257268556 1043949644 /nfs/dbraw/zinc/94/96/44/1043949644.db2.gz NFBZFOFPBZFATH-RDPSFJRHSA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccc(C[C@H](C)[N@@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001257268556 1043949649 /nfs/dbraw/zinc/94/96/49/1043949649.db2.gz NFBZFOFPBZFATH-RDPSFJRHSA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccc(C[C@H](C)[NH+](C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001257268556 1043949653 /nfs/dbraw/zinc/94/96/53/1043949653.db2.gz NFBZFOFPBZFATH-RDPSFJRHSA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccc(C[C@H](C)[NH+](C)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001257268556 1043949660 /nfs/dbraw/zinc/94/96/60/1043949660.db2.gz NFBZFOFPBZFATH-RDPSFJRHSA-N 2 2 382.548 3.849 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@@H]([N@@H+]1Cc3ccccc3C[C@H]1C[NH3+])C2 ZINC001257808822 1044190802 /nfs/dbraw/zinc/19/08/02/1044190802.db2.gz RZWIMETYIXUKHR-ZFGGDYGUSA-N 2 2 399.579 3.942 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@@H]([N@H+]1Cc3ccccc3C[C@H]1C[NH3+])C2 ZINC001257808822 1044190808 /nfs/dbraw/zinc/19/08/08/1044190808.db2.gz RZWIMETYIXUKHR-ZFGGDYGUSA-N 2 2 399.579 3.942 20 0 GHADLP c1ccc(COC2CCC([NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)CC2)cc1 ZINC001257830694 1044208646 /nfs/dbraw/zinc/20/86/46/1044208646.db2.gz IITSENRDCSAHFV-SCEDHHNCSA-N 2 2 391.559 3.973 20 0 GHADLP COC(=O)C1CCC([NH+]2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)CC1 ZINC001257862289 1044227891 /nfs/dbraw/zinc/22/78/91/1044227891.db2.gz SUWAFDJAHRZMNB-UHFFFAOYSA-N 2 2 391.581 3.614 20 0 GHADLP COC(=O)C1CCC([NH+]2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)CC1 ZINC001257862289 1044227899 /nfs/dbraw/zinc/22/78/99/1044227899.db2.gz SUWAFDJAHRZMNB-UHFFFAOYSA-N 2 2 391.581 3.614 20 0 GHADLP CC(C)C[NH+]1CCC([NH+]2CCC3(CCOC[C@@H]3COCC3CC3)CC2)CC1 ZINC001258011067 1044337124 /nfs/dbraw/zinc/33/71/24/1044337124.db2.gz ARGDDNBPAYOPMI-OAQYLSRUSA-N 2 2 378.601 3.652 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258143437 1044428898 /nfs/dbraw/zinc/42/88/98/1044428898.db2.gz MXDMAPNJTVOLPS-UHFFFAOYSA-N 2 2 387.568 3.636 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258143437 1044428903 /nfs/dbraw/zinc/42/89/03/1044428903.db2.gz MXDMAPNJTVOLPS-UHFFFAOYSA-N 2 2 387.568 3.636 20 0 GHADLP Cc1cccnc1OC1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258148249 1044437448 /nfs/dbraw/zinc/43/74/48/1044437448.db2.gz CURBWZAYGBTYTB-UHFFFAOYSA-N 2 2 379.548 3.940 20 0 GHADLP COC(=O)c1cccc2c1CC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258149059 1044439750 /nfs/dbraw/zinc/43/97/50/1044439750.db2.gz WDBMLEVXHMSZTH-UHFFFAOYSA-N 2 2 378.516 3.538 20 0 GHADLP COC(=O)c1cccc2c1CC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258149059 1044439759 /nfs/dbraw/zinc/43/97/59/1044439759.db2.gz WDBMLEVXHMSZTH-UHFFFAOYSA-N 2 2 378.516 3.538 20 0 GHADLP C[C@H]1CC([NH+]2CCC([N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)C[C@H](C)C1 ZINC001258171820 1044453037 /nfs/dbraw/zinc/45/30/37/1044453037.db2.gz SXGGLBONQCFXFT-KZNAEPCWSA-N 2 2 379.589 3.875 20 0 GHADLP C[C@H]1CC([NH+]2CCC([N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)C[C@H](C)C1 ZINC001258171820 1044453052 /nfs/dbraw/zinc/45/30/52/1044453052.db2.gz SXGGLBONQCFXFT-KZNAEPCWSA-N 2 2 379.589 3.875 20 0 GHADLP COc1ccc(CC[C@H](C)N(c2cccc[nH+]2)[C@H]2COC3(C2)CC[NH2+]CC3)cc1 ZINC001258400757 1044537518 /nfs/dbraw/zinc/53/75/18/1044537518.db2.gz FHRHNHWTKNVHQC-PZJWPPBQSA-N 2 2 395.547 3.829 20 0 GHADLP CCC[NH+]1CCC([NH2+]C2(c3ccccc3Br)CCOCC2)CC1 ZINC001258770212 1044757692 /nfs/dbraw/zinc/75/76/92/1044757692.db2.gz HQKVWVRTZLXBII-UHFFFAOYSA-N 2 2 381.358 3.919 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC001294800338 1044797674 /nfs/dbraw/zinc/79/76/74/1044797674.db2.gz CSGRBQHFHOTVBT-CZAAIQMYSA-N 2 2 385.939 3.722 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC001294800338 1044797688 /nfs/dbraw/zinc/79/76/88/1044797688.db2.gz CSGRBQHFHOTVBT-CZAAIQMYSA-N 2 2 385.939 3.722 20 0 GHADLP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccc(C[NH+]2CCCC2)o1 ZINC001297645944 1045595823 /nfs/dbraw/zinc/59/58/23/1045595823.db2.gz AGQYHSOQNKCOBR-FQEVSTJZSA-N 2 2 393.487 3.729 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000371281727 1046233990 /nfs/dbraw/zinc/23/39/90/1046233990.db2.gz DEOPSOJPSPUCFA-KBPBESRZSA-N 2 2 396.413 3.666 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000371281730 1046234409 /nfs/dbraw/zinc/23/44/09/1046234409.db2.gz DEOPSOJPSPUCFA-ZIAGYGMSSA-N 2 2 396.413 3.666 20 0 GHADLP COc1ccccc1-c1nn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(=S)o1 ZINC001262482583 1046260687 /nfs/dbraw/zinc/26/06/87/1046260687.db2.gz GZGGJKFHAPIVAM-ARFHVFGLSA-N 2 2 388.537 3.501 20 0 GHADLP COc1ccccc1-c1nn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(=S)o1 ZINC001262482583 1046260702 /nfs/dbraw/zinc/26/07/02/1046260702.db2.gz GZGGJKFHAPIVAM-ARFHVFGLSA-N 2 2 388.537 3.501 20 0 GHADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3cc(F)c(F)cc3Cl)C2)C1 ZINC001279249629 1047748695 /nfs/dbraw/zinc/74/86/95/1047748695.db2.gz RNAKUDQBXAQVBD-HXUWFJFHSA-N 2 2 385.930 3.858 20 0 GHADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3cc(F)c(F)cc3Cl)C2)C1 ZINC001279249629 1047748697 /nfs/dbraw/zinc/74/86/97/1047748697.db2.gz RNAKUDQBXAQVBD-HXUWFJFHSA-N 2 2 385.930 3.858 20 0 GHADLP Oc1c(F)cc(C[NH+]2CCC3(C[NH+](CCCC(F)(F)F)C3)CC2)cc1F ZINC001279345368 1047775933 /nfs/dbraw/zinc/77/59/33/1047775933.db2.gz PKKOGEGWJAOSHO-UHFFFAOYSA-N 2 2 378.385 3.911 20 0 GHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CN(C4CCCCC4)C(=O)O3)C2)CC1 ZINC001307440813 1049276030 /nfs/dbraw/zinc/27/60/30/1049276030.db2.gz TYJAYRHOVMAFFN-FPOVZHCZSA-N 2 2 377.573 3.584 20 0 GHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CN(C4CCCCC4)C(=O)O3)C2)CC1 ZINC001307440813 1049276041 /nfs/dbraw/zinc/27/60/41/1049276041.db2.gz TYJAYRHOVMAFFN-FPOVZHCZSA-N 2 2 377.573 3.584 20 0 GHADLP COC(=O)[C@H](c1cccc(OC)c1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001307453081 1049289068 /nfs/dbraw/zinc/28/90/68/1049289068.db2.gz QVZWQVOWHGYKFH-QHCPKHFHSA-N 2 2 396.531 3.753 20 0 GHADLP COC(=O)[C@H](c1cccc(OC)c1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001307453081 1049289082 /nfs/dbraw/zinc/28/90/82/1049289082.db2.gz QVZWQVOWHGYKFH-QHCPKHFHSA-N 2 2 396.531 3.753 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(=Cc2ccccc2F)CC1)c1ccccc1 ZINC001307579114 1049416922 /nfs/dbraw/zinc/41/69/22/1049416922.db2.gz HWGPAACILXOKPO-HSZRJFAPSA-N 2 2 395.522 3.724 20 0 GHADLP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)C2=O)cc1 ZINC001307707456 1049522528 /nfs/dbraw/zinc/52/25/28/1049522528.db2.gz PIYTVKWHQIDVKF-OYDLWJJNSA-N 2 2 391.559 3.991 20 0 GHADLP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)C2=O)cc1 ZINC001307707456 1049522541 /nfs/dbraw/zinc/52/25/41/1049522541.db2.gz PIYTVKWHQIDVKF-OYDLWJJNSA-N 2 2 391.559 3.991 20 0 GHADLP OCC1([C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c2cccs2)CCC1 ZINC001307843747 1049628603 /nfs/dbraw/zinc/62/86/03/1049628603.db2.gz HDGUFLBCFAKVIC-JOCHJYFZSA-N 2 2 399.604 3.754 20 0 GHADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC(C)(C)CC(C)(C)C1 ZINC001307917643 1049694156 /nfs/dbraw/zinc/69/41/56/1049694156.db2.gz YHIMVMCWKCBYIF-UHFFFAOYSA-N 2 2 386.584 3.657 20 0 GHADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC(C)(C)CC(C)(C)C1 ZINC001307917643 1049694168 /nfs/dbraw/zinc/69/41/68/1049694168.db2.gz YHIMVMCWKCBYIF-UHFFFAOYSA-N 2 2 386.584 3.657 20 0 GHADLP O=C(C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)Nc1nc(-c2ccco2)cs1 ZINC001308032061 1049782235 /nfs/dbraw/zinc/78/22/35/1049782235.db2.gz BPUKPHLXEBZARV-MRXNPFEDSA-N 2 2 393.472 3.569 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC[N@@H+]1C ZINC001308293208 1049940115 /nfs/dbraw/zinc/94/01/15/1049940115.db2.gz KNKNFCPRVJTOKB-GDBMZVCRSA-N 2 2 379.570 3.614 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC[N@H+]1C ZINC001308293208 1049940117 /nfs/dbraw/zinc/94/01/17/1049940117.db2.gz KNKNFCPRVJTOKB-GDBMZVCRSA-N 2 2 379.570 3.614 20 0 GHADLP COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001308496144 1049990607 /nfs/dbraw/zinc/99/06/07/1049990607.db2.gz PYUJADJVQXLCNX-CYBMUJFWSA-N 2 2 378.419 3.929 20 0 GHADLP Clc1ccc(Br)cc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC001308523724 1049998395 /nfs/dbraw/zinc/99/83/95/1049998395.db2.gz BJYYTUPPLCYPDX-UHFFFAOYSA-N 2 2 377.673 3.973 20 0 GHADLP OCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(Cl)c(Cl)c1 ZINC001308575358 1050015634 /nfs/dbraw/zinc/01/56/34/1050015634.db2.gz KIDNJOWSBIBGJT-UHFFFAOYSA-N 2 2 377.275 3.569 20 0 GHADLP OCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(Cl)c(Cl)c1 ZINC001308575358 1050015637 /nfs/dbraw/zinc/01/56/37/1050015637.db2.gz KIDNJOWSBIBGJT-UHFFFAOYSA-N 2 2 377.275 3.569 20 0 GHADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H](CC(N)=O)c3cccc(Cl)c3)CC2)C1 ZINC001308673929 1050055175 /nfs/dbraw/zinc/05/51/75/1050055175.db2.gz FYXOCDLPZDEUNN-CWFSZBLJSA-N 2 2 377.960 3.889 20 0 GHADLP CCc1cccc(F)c1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001308757769 1050084339 /nfs/dbraw/zinc/08/43/39/1050084339.db2.gz LWMSYTQTDLIYNV-QFIPXVFZSA-N 2 2 381.539 3.780 20 0 GHADLP CCc1cccc(F)c1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001308757769 1050084344 /nfs/dbraw/zinc/08/43/44/1050084344.db2.gz LWMSYTQTDLIYNV-QFIPXVFZSA-N 2 2 381.539 3.780 20 0 GHADLP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1CC[NH+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC001308802998 1050100024 /nfs/dbraw/zinc/10/00/24/1050100024.db2.gz QVTOMZJQVAGETN-AYOQOUSVSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CC[NH+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC001308802998 1050100029 /nfs/dbraw/zinc/10/00/29/1050100029.db2.gz QVTOMZJQVAGETN-AYOQOUSVSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[N@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC001308802998 1050100033 /nfs/dbraw/zinc/10/00/33/1050100033.db2.gz QVTOMZJQVAGETN-AYOQOUSVSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[N@@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC001308802998 1050100036 /nfs/dbraw/zinc/10/00/36/1050100036.db2.gz QVTOMZJQVAGETN-AYOQOUSVSA-N 2 2 382.390 3.903 20 0 GHADLP Cc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(C)n1C[C@H]1CCCOC1 ZINC001329291042 1050770917 /nfs/dbraw/zinc/77/09/17/1050770917.db2.gz VISGYRBDMXPKHT-GOSISDBHSA-N 2 2 393.491 3.673 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC001335346371 1052079261 /nfs/dbraw/zinc/07/92/61/1052079261.db2.gz WPVLYGIDGKWDNP-SFTDATJTSA-N 2 2 399.922 3.525 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC001312685772 1052837629 /nfs/dbraw/zinc/83/76/29/1052837629.db2.gz KKUZWVKEEAROIA-BDTNDASRSA-N 2 2 392.632 3.934 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC001312685772 1052837635 /nfs/dbraw/zinc/83/76/35/1052837635.db2.gz KKUZWVKEEAROIA-BDTNDASRSA-N 2 2 392.632 3.934 20 0 GHADLP CCNc1cc(CNC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)cc[nH+]1 ZINC001313321274 1053017503 /nfs/dbraw/zinc/01/75/03/1053017503.db2.gz YPZNFBDRBZSCAP-OTWHNJEPSA-N 2 2 395.551 3.706 20 0 GHADLP CCNc1cc(CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)cc[nH+]1 ZINC001313321274 1053017505 /nfs/dbraw/zinc/01/75/05/1053017505.db2.gz YPZNFBDRBZSCAP-OTWHNJEPSA-N 2 2 395.551 3.706 20 0 GHADLP CCOc1ccccc1[C@@H]([NH3+])CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC001343424920 1053764427 /nfs/dbraw/zinc/76/44/27/1053764427.db2.gz SOWBJTCTIPZCSZ-UWJYYQICSA-N 2 2 397.519 3.507 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC001318735804 1054833908 /nfs/dbraw/zinc/83/39/08/1054833908.db2.gz DERFSFHVQHARBF-UHFFFAOYSA-N 2 2 377.231 3.900 20 0 GHADLP COc1ccc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C2CC2)c(F)c1 ZINC001345244197 1054956921 /nfs/dbraw/zinc/95/69/21/1054956921.db2.gz YWRQBFWMEOCGGP-DEOSSOPVSA-N 2 2 397.538 3.823 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(N3CCCC3)cc2)[nH+]1 ZINC001319605805 1055354612 /nfs/dbraw/zinc/35/46/12/1055354612.db2.gz DWJGFZVURKXELS-OAQYLSRUSA-N 2 2 393.535 3.505 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)Nc2ccc(N3CCCC3)cc2)[nH+]1 ZINC001319605805 1055354624 /nfs/dbraw/zinc/35/46/24/1055354624.db2.gz DWJGFZVURKXELS-OAQYLSRUSA-N 2 2 393.535 3.505 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cc(OCC(F)F)ccn3)CC2)cc1 ZINC001320020362 1055601667 /nfs/dbraw/zinc/60/16/67/1055601667.db2.gz JMNJMYKDWUFHTO-UHFFFAOYSA-N 2 2 393.453 3.661 20 0 GHADLP CC[NH+](CC)CCCNC(=O)C1CCN(c2cc(C)c3ccccc3[nH+]2)CC1 ZINC001323204785 1056937803 /nfs/dbraw/zinc/93/78/03/1056937803.db2.gz FQKOUXWOUSXKST-UHFFFAOYSA-N 2 2 382.552 3.608 20 0 GHADLP Brc1ccc(-c2cnn(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c2)cc1 ZINC000848479342 1057116351 /nfs/dbraw/zinc/11/63/51/1057116351.db2.gz XKMGNNRUWRGLNC-GOSISDBHSA-N 2 2 386.297 3.804 20 0 GHADLP Brc1ccc(-c2cnn(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c2)cc1 ZINC000848479342 1057116353 /nfs/dbraw/zinc/11/63/53/1057116353.db2.gz XKMGNNRUWRGLNC-GOSISDBHSA-N 2 2 386.297 3.804 20 0 GHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cnc(Cl)n2C)cc1 ZINC000848911445 1057415628 /nfs/dbraw/zinc/41/56/28/1057415628.db2.gz VLQQPITVHPLZNP-UHFFFAOYSA-N 2 2 387.915 3.761 20 0 GHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cnc(Cl)n2C)cc1 ZINC000848911445 1057415634 /nfs/dbraw/zinc/41/56/34/1057415634.db2.gz VLQQPITVHPLZNP-UHFFFAOYSA-N 2 2 387.915 3.761 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001348525393 1063170093 /nfs/dbraw/zinc/17/00/93/1063170093.db2.gz JJXGNPWBSFWJNI-UHFFFAOYSA-N 2 2 393.535 3.884 20 0 GHADLP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)c1 ZINC001438569959 1064072145 /nfs/dbraw/zinc/07/21/45/1064072145.db2.gz CDLNOECLYTVRET-DHIUTWEWSA-N 2 2 377.532 3.652 20 0 GHADLP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)c1 ZINC001438569959 1064072156 /nfs/dbraw/zinc/07/21/56/1064072156.db2.gz CDLNOECLYTVRET-DHIUTWEWSA-N 2 2 377.532 3.652 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NC[C@@H]2c3ccccc3C[NH+]2C)c1 ZINC001438569959 1064072163 /nfs/dbraw/zinc/07/21/63/1064072163.db2.gz CDLNOECLYTVRET-DHIUTWEWSA-N 2 2 377.532 3.652 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC[C@@H]2c3ccccc3C[NH+]2C)c1 ZINC001438569959 1064072173 /nfs/dbraw/zinc/07/21/73/1064072173.db2.gz CDLNOECLYTVRET-DHIUTWEWSA-N 2 2 377.532 3.652 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ncc(Br)s2)cc1 ZINC001200106259 1065235411 /nfs/dbraw/zinc/23/54/11/1065235411.db2.gz XODHSRJOHAFIAS-UHFFFAOYSA-N 2 2 384.343 3.526 20 0 GHADLP C[C@H](C[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21)Cn1cc[nH+]c1 ZINC001200116467 1065264601 /nfs/dbraw/zinc/26/46/01/1065264601.db2.gz WKKRQKLYLNGELC-OAHLLOKOSA-N 2 2 381.430 3.902 20 0 GHADLP CC[N@@H+]1CCN(C(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C[C@H]1C ZINC001466103754 1065983928 /nfs/dbraw/zinc/98/39/28/1065983928.db2.gz PFFZKRREGYCHSI-NFBKMPQASA-N 2 2 397.538 3.580 20 0 GHADLP CC[N@H+]1CCN(C(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C[C@H]1C ZINC001466103754 1065983931 /nfs/dbraw/zinc/98/39/31/1065983931.db2.gz PFFZKRREGYCHSI-NFBKMPQASA-N 2 2 397.538 3.580 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]Cc2ccccc2N2CCOCC2)CCC1 ZINC001474154846 1067589472 /nfs/dbraw/zinc/58/94/72/1067589472.db2.gz UHJSFDDHNDYRBB-UHFFFAOYSA-N 2 2 379.548 3.668 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]Cc2ccccc2N2CCOCC2)CCC1 ZINC001474154846 1067589476 /nfs/dbraw/zinc/58/94/76/1067589476.db2.gz UHJSFDDHNDYRBB-UHFFFAOYSA-N 2 2 379.548 3.668 20 0 GHADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C)C1CC1 ZINC001468463341 1067740465 /nfs/dbraw/zinc/74/04/65/1067740465.db2.gz ZQQASXISGDAURK-OAQYLSRUSA-N 2 2 391.987 3.883 20 0 GHADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C)C1CC1 ZINC001468463341 1067740470 /nfs/dbraw/zinc/74/04/70/1067740470.db2.gz ZQQASXISGDAURK-OAQYLSRUSA-N 2 2 391.987 3.883 20 0 GHADLP CC[NH+](CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C)C1CC1 ZINC001468463341 1067740476 /nfs/dbraw/zinc/74/04/76/1067740476.db2.gz ZQQASXISGDAURK-OAQYLSRUSA-N 2 2 391.987 3.883 20 0 GHADLP CC[NH+](CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C)C1CC1 ZINC001468463341 1067740484 /nfs/dbraw/zinc/74/04/84/1067740484.db2.gz ZQQASXISGDAURK-OAQYLSRUSA-N 2 2 391.987 3.883 20 0 GHADLP C[NH+](C)CC[C@@H](NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)C(C)(C)C ZINC001468759359 1067864067 /nfs/dbraw/zinc/86/40/67/1067864067.db2.gz DVTRDSKFFKSWCL-IEBWSBKVSA-N 2 2 391.604 3.894 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CCCCC34CCCC4)CC2)CC1 ZINC001470273648 1068658512 /nfs/dbraw/zinc/65/85/12/1068658512.db2.gz MLCPNPGPADVTLV-NRFANRHFSA-N 2 2 390.616 3.691 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CCCCC34CCCC4)CC2)CC1 ZINC001470273648 1068658515 /nfs/dbraw/zinc/65/85/15/1068658515.db2.gz MLCPNPGPADVTLV-NRFANRHFSA-N 2 2 390.616 3.691 20 0 GHADLP Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001460625402 1069040055 /nfs/dbraw/zinc/04/00/55/1069040055.db2.gz GZEQHPZZRFEWCC-FYYLOGMGSA-N 2 2 385.596 3.629 20 0 GHADLP Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001460625402 1069040074 /nfs/dbraw/zinc/04/00/74/1069040074.db2.gz GZEQHPZZRFEWCC-FYYLOGMGSA-N 2 2 385.596 3.629 20 0 GHADLP COc1ccc(Br)cc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001460705003 1069104370 /nfs/dbraw/zinc/10/43/70/1069104370.db2.gz GRACETUSBIGLJM-AWEZNQCLSA-N 2 2 376.298 3.563 20 0 GHADLP COc1ccc(Br)cc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001460705003 1069104384 /nfs/dbraw/zinc/10/43/84/1069104384.db2.gz GRACETUSBIGLJM-AWEZNQCLSA-N 2 2 376.298 3.563 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001460706743 1069105920 /nfs/dbraw/zinc/10/59/20/1069105920.db2.gz IOZCGXLBIFVBBU-FGTMMUONSA-N 2 2 392.503 3.604 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001460706743 1069105932 /nfs/dbraw/zinc/10/59/32/1069105932.db2.gz IOZCGXLBIFVBBU-FGTMMUONSA-N 2 2 392.503 3.604 20 0 GHADLP Cc1[nH]c([C@H]2CCCN2C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)[nH+]c1C ZINC001471860264 1073234909 /nfs/dbraw/zinc/23/49/09/1073234909.db2.gz XSPOGHFADAQXFD-OAQYLSRUSA-N 2 2 395.551 3.534 20 0 GHADLP Cc1cccc(OC[C@H](O)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C(C)C)c1 ZINC001473185073 1073839827 /nfs/dbraw/zinc/83/98/27/1073839827.db2.gz MDOCVZSQIOSZTI-JOCHJYFZSA-N 2 2 379.504 3.831 20 0 GHADLP Cc1cccc(OC[C@H](O)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C(C)C)c1 ZINC001473185073 1073839834 /nfs/dbraw/zinc/83/98/34/1073839834.db2.gz MDOCVZSQIOSZTI-JOCHJYFZSA-N 2 2 379.504 3.831 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@H]3CCC(C)(C)C3)CC2)cc1 ZINC001473443772 1073964857 /nfs/dbraw/zinc/96/48/57/1073964857.db2.gz QJRNOMDVCQMSIB-QFIPXVFZSA-N 2 2 385.596 3.965 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@H]3CCC(C)(C)C3)CC2)cc1 ZINC001473443772 1073964862 /nfs/dbraw/zinc/96/48/62/1073964862.db2.gz QJRNOMDVCQMSIB-QFIPXVFZSA-N 2 2 385.596 3.965 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+]3CC[C@H](C4CCCC4)C3)n2)CC1 ZINC001473566727 1074019723 /nfs/dbraw/zinc/01/97/23/1074019723.db2.gz CACLLKSSOCGANS-SFHVURJKSA-N 2 2 390.597 3.826 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+]3CC[C@H](C4CCCC4)C3)n2)CC1 ZINC001473566727 1074019736 /nfs/dbraw/zinc/01/97/36/1074019736.db2.gz CACLLKSSOCGANS-SFHVURJKSA-N 2 2 390.597 3.826 20 0 GHADLP COCCOCCOc1ccc(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)cc1 ZINC001473777989 1074137357 /nfs/dbraw/zinc/13/73/57/1074137357.db2.gz LYQQLVYQVMRLMZ-UHFFFAOYSA-N 2 2 390.568 3.569 20 0 GHADLP CCC[N@H+](CC(=O)N(CC)CC(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC001473879057 1074188186 /nfs/dbraw/zinc/18/81/86/1074188186.db2.gz DCEMWRGDLWNAMV-UHFFFAOYSA-N 2 2 399.501 3.774 20 0 GHADLP CCC[N@@H+](CC(=O)N(CC)CC(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC001473879057 1074188189 /nfs/dbraw/zinc/18/81/89/1074188189.db2.gz DCEMWRGDLWNAMV-UHFFFAOYSA-N 2 2 399.501 3.774 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@H]1CCCC12CC[NH+](CCCn1cc[nH+]c1)CC2 ZINC001473899776 1074195867 /nfs/dbraw/zinc/19/58/67/1074195867.db2.gz OTWUALCWIRMXTF-SFHVURJKSA-N 2 2 376.545 3.680 20 0 GHADLP Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+]C[C@@H](C)C[NH+]3CCCC3)cc12 ZINC001473939911 1074212385 /nfs/dbraw/zinc/21/23/85/1074212385.db2.gz GJNWUYSKWNAKBE-CQSZACIVSA-N 2 2 377.964 3.970 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CCNC(=O)c2ccccc2Cl)C[N@@H+]1Cc1ccccc1 ZINC001474000085 1074230971 /nfs/dbraw/zinc/23/09/71/1074230971.db2.gz RRVIGKMCTWTKMX-GOSISDBHSA-N 2 2 385.939 3.713 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CCNC(=O)c2ccccc2Cl)C[N@H+]1Cc1ccccc1 ZINC001474000085 1074230977 /nfs/dbraw/zinc/23/09/77/1074230977.db2.gz RRVIGKMCTWTKMX-GOSISDBHSA-N 2 2 385.939 3.713 20 0 GHADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(C3CC3)[nH+]1)CC2 ZINC001164711204 720154532 /nfs/dbraw/zinc/15/45/32/720154532.db2.gz GBBVHNZCDBXAFZ-NRFANRHFSA-N 2 2 392.547 3.862 20 0 GHADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(C3CC3)[nH+]1)CC2 ZINC001164711204 720154536 /nfs/dbraw/zinc/15/45/36/720154536.db2.gz GBBVHNZCDBXAFZ-NRFANRHFSA-N 2 2 392.547 3.862 20 0 GHADLP COc1cc2cc[nH+]c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2cc1OC ZINC001164729074 720391712 /nfs/dbraw/zinc/39/17/12/720391712.db2.gz UYQNNPPUUMABSX-VQTJNVASSA-N 2 2 390.487 3.500 20 0 GHADLP COc1cc2cc[nH+]c(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2cc1OC ZINC001164729074 720391717 /nfs/dbraw/zinc/39/17/17/720391717.db2.gz UYQNNPPUUMABSX-VQTJNVASSA-N 2 2 390.487 3.500 20 0 GHADLP Cc1cccc2c(C)cc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)[nH+]c12 ZINC001164762552 721082170 /nfs/dbraw/zinc/08/21/70/721082170.db2.gz FEBOPRIVIXXUKN-VQTJNVASSA-N 2 2 375.520 3.543 20 0 GHADLP Cc1cccc2c(C)cc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)[nH+]c12 ZINC001164762552 721082176 /nfs/dbraw/zinc/08/21/76/721082176.db2.gz FEBOPRIVIXXUKN-VQTJNVASSA-N 2 2 375.520 3.543 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001267591595 837526290 /nfs/dbraw/zinc/52/62/90/837526290.db2.gz OXVUUXOXKLKRRL-MAODMQOUSA-N 2 2 385.939 3.579 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001267591595 837526294 /nfs/dbraw/zinc/52/62/94/837526294.db2.gz OXVUUXOXKLKRRL-MAODMQOUSA-N 2 2 385.939 3.579 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@H](C(C)(C)C)c4ccccc43)C2)CC1 ZINC000683559067 837565792 /nfs/dbraw/zinc/56/57/92/837565792.db2.gz KKDIKXBVWLVCAT-PXNSSMCTSA-N 2 2 384.568 3.514 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@H](C(C)(C)C)c4ccccc43)C2)CC1 ZINC000683559067 837565799 /nfs/dbraw/zinc/56/57/99/837565799.db2.gz KKDIKXBVWLVCAT-PXNSSMCTSA-N 2 2 384.568 3.514 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000655715017 837720562 /nfs/dbraw/zinc/72/05/62/837720562.db2.gz GDCVFDGILHKRNZ-UHFFFAOYSA-N 2 2 388.313 3.710 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)CCCC1)c1ccccc1 ZINC000583497933 834498185 /nfs/dbraw/zinc/49/81/85/834498185.db2.gz PEZUWXFUSQEIAI-QRWLVFNGSA-N 2 2 387.474 3.744 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000536082041 834712314 /nfs/dbraw/zinc/71/23/14/834712314.db2.gz HYUPZCAXSMEJRO-KRWDZBQOSA-N 2 2 379.508 3.598 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000536082041 834712319 /nfs/dbraw/zinc/71/23/19/834712319.db2.gz HYUPZCAXSMEJRO-KRWDZBQOSA-N 2 2 379.508 3.598 20 0 GHADLP CC(C)C[N@H+](C)CCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000650101392 834717893 /nfs/dbraw/zinc/71/78/93/834717893.db2.gz FENFTURSMHJBIA-UHFFFAOYSA-N 2 2 381.524 3.701 20 0 GHADLP CC(C)C[N@@H+](C)CCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000650101392 834717903 /nfs/dbraw/zinc/71/79/03/834717903.db2.gz FENFTURSMHJBIA-UHFFFAOYSA-N 2 2 381.524 3.701 20 0 GHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)o1 ZINC000430166072 834723778 /nfs/dbraw/zinc/72/37/78/834723778.db2.gz NQIUAPXEMJSMPC-QHCPKHFHSA-N 2 2 376.504 3.968 20 0 GHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)o1 ZINC000430166072 834723785 /nfs/dbraw/zinc/72/37/85/834723785.db2.gz NQIUAPXEMJSMPC-QHCPKHFHSA-N 2 2 376.504 3.968 20 0 GHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)o1 ZINC000430166072 834723789 /nfs/dbraw/zinc/72/37/89/834723789.db2.gz NQIUAPXEMJSMPC-QHCPKHFHSA-N 2 2 376.504 3.968 20 0 GHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)o1 ZINC000430166072 834723792 /nfs/dbraw/zinc/72/37/92/834723792.db2.gz NQIUAPXEMJSMPC-QHCPKHFHSA-N 2 2 376.504 3.968 20 0 GHADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cccc(OCCCc4ccccc4)c3)CC2)C1 ZINC000668741596 834958655 /nfs/dbraw/zinc/95/86/55/834958655.db2.gz VNHUYTUSVLNBGX-XMMPIXPASA-N 2 2 394.559 3.729 20 0 GHADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3cccc(OCCCc4ccccc4)c3)CC2)C1 ZINC000668741596 834958661 /nfs/dbraw/zinc/95/86/61/834958661.db2.gz VNHUYTUSVLNBGX-XMMPIXPASA-N 2 2 394.559 3.729 20 0 GHADLP CCOc1c(Br)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000685469983 835034689 /nfs/dbraw/zinc/03/46/89/835034689.db2.gz CJWTXRRAOPVROO-BBRMVZONSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000685469983 835034695 /nfs/dbraw/zinc/03/46/95/835034695.db2.gz CJWTXRRAOPVROO-BBRMVZONSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000685469983 835034704 /nfs/dbraw/zinc/03/47/04/835034704.db2.gz CJWTXRRAOPVROO-BBRMVZONSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000685469983 835034716 /nfs/dbraw/zinc/03/47/16/835034716.db2.gz CJWTXRRAOPVROO-BBRMVZONSA-N 2 2 385.346 3.628 20 0 GHADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(F)c(I)c1 ZINC000583853938 835151524 /nfs/dbraw/zinc/15/15/24/835151524.db2.gz ATAVGHDVQOMSJZ-LBPRGKRZSA-N 2 2 387.240 3.758 20 0 GHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471176272 835441909 /nfs/dbraw/zinc/44/19/09/835441909.db2.gz IKPONBZXGYQAHO-AWEZNQCLSA-N 2 2 381.307 3.555 20 0 GHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471176272 835441912 /nfs/dbraw/zinc/44/19/12/835441912.db2.gz IKPONBZXGYQAHO-AWEZNQCLSA-N 2 2 381.307 3.555 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647320953 835537477 /nfs/dbraw/zinc/53/74/77/835537477.db2.gz NWLZCKDIRCJXSQ-HOJAQTOUSA-N 2 2 383.561 3.825 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647320953 835537484 /nfs/dbraw/zinc/53/74/84/835537484.db2.gz NWLZCKDIRCJXSQ-HOJAQTOUSA-N 2 2 383.561 3.825 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2cccc(Br)c21 ZINC000658296351 835561654 /nfs/dbraw/zinc/56/16/54/835561654.db2.gz ZCFCZZMCDPSZFH-DDUZABMNSA-N 2 2 379.342 3.840 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H](C[NH2+]C3CCN(c4cccc[nH+]4)CC3)C3(CCC3)C2)cc1 ZINC000658320426 835573177 /nfs/dbraw/zinc/57/31/77/835573177.db2.gz XQPZEFOYACMPEG-JOCHJYFZSA-N 3 2 390.575 3.942 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C3CCN(c4cccc[nH+]4)CC3)C3(CCC3)C2)cc1 ZINC000658320426 835573184 /nfs/dbraw/zinc/57/31/84/835573184.db2.gz XQPZEFOYACMPEG-JOCHJYFZSA-N 3 2 390.575 3.942 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000154404806 835652385 /nfs/dbraw/zinc/65/23/85/835652385.db2.gz YCBYRDMIXVCLKR-RDTXWAMCSA-N 2 2 389.341 3.821 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC[N@H+]1C ZINC000154404806 835652390 /nfs/dbraw/zinc/65/23/90/835652390.db2.gz YCBYRDMIXVCLKR-RDTXWAMCSA-N 2 2 389.341 3.821 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC[NH+]1C ZINC000154404806 835652393 /nfs/dbraw/zinc/65/23/93/835652393.db2.gz YCBYRDMIXVCLKR-RDTXWAMCSA-N 2 2 389.341 3.821 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC[NH+]1C ZINC000154404806 835652396 /nfs/dbraw/zinc/65/23/96/835652396.db2.gz YCBYRDMIXVCLKR-RDTXWAMCSA-N 2 2 389.341 3.821 20 0 GHADLP C[C@@H]1C[N@H+](CCCNc2cc[nH+]c3c(Br)cccc23)CCCO1 ZINC000432872929 844076481 /nfs/dbraw/zinc/07/64/81/844076481.db2.gz PEGIOSUXMRHLGC-CQSZACIVSA-N 2 2 378.314 3.910 20 0 GHADLP C[C@@H]1C[N@@H+](CCCNc2cc[nH+]c3c(Br)cccc23)CCCO1 ZINC000432872929 844076489 /nfs/dbraw/zinc/07/64/89/844076489.db2.gz PEGIOSUXMRHLGC-CQSZACIVSA-N 2 2 378.314 3.910 20 0 GHADLP C[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc(OCC[NH+](C)C)cc1 ZINC000274957860 835851292 /nfs/dbraw/zinc/85/12/92/835851292.db2.gz GAAWSGVMHOGVJU-MRXNPFEDSA-N 2 2 375.513 3.781 20 0 GHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(Cl)cc3F)CC2)C[C@@H](C)O1 ZINC000547742867 835954187 /nfs/dbraw/zinc/95/41/87/835954187.db2.gz LPVQDNIMONBGBE-HZPDHXFCSA-N 2 2 384.923 3.569 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000471221971 835975703 /nfs/dbraw/zinc/97/57/03/835975703.db2.gz YZKVVWXDOZHXHT-DEYYWGMASA-N 2 2 386.367 3.833 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000471221971 835975712 /nfs/dbraw/zinc/97/57/12/835975712.db2.gz YZKVVWXDOZHXHT-DEYYWGMASA-N 2 2 386.367 3.833 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000471221971 835975718 /nfs/dbraw/zinc/97/57/18/835975718.db2.gz YZKVVWXDOZHXHT-DEYYWGMASA-N 2 2 386.367 3.833 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000471221971 835975729 /nfs/dbraw/zinc/97/57/29/835975729.db2.gz YZKVVWXDOZHXHT-DEYYWGMASA-N 2 2 386.367 3.833 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC[S@](=O)c2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000471226257 836020193 /nfs/dbraw/zinc/02/01/93/836020193.db2.gz JWKXPGCPTRDSCM-LTJFPGKXSA-N 2 2 377.381 3.763 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC[S@](=O)c2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000471226257 836020206 /nfs/dbraw/zinc/02/02/06/836020206.db2.gz JWKXPGCPTRDSCM-LTJFPGKXSA-N 2 2 377.381 3.763 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC[S@](=O)c2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000471226257 836020215 /nfs/dbraw/zinc/02/02/15/836020215.db2.gz JWKXPGCPTRDSCM-LTJFPGKXSA-N 2 2 377.381 3.763 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC[S@](=O)c2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000471226257 836020226 /nfs/dbraw/zinc/02/02/26/836020226.db2.gz JWKXPGCPTRDSCM-LTJFPGKXSA-N 2 2 377.381 3.763 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000180024437 836031008 /nfs/dbraw/zinc/03/10/08/836031008.db2.gz WLPZLBZNDMLERT-MRXNPFEDSA-N 2 2 385.943 3.607 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000180024437 836031016 /nfs/dbraw/zinc/03/10/16/836031016.db2.gz WLPZLBZNDMLERT-MRXNPFEDSA-N 2 2 385.943 3.607 20 0 GHADLP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000569771008 836050502 /nfs/dbraw/zinc/05/05/02/836050502.db2.gz KOSKXKHJUUODIQ-QZTJIDSGSA-N 2 2 397.519 3.508 20 0 GHADLP COc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC000510923673 844131278 /nfs/dbraw/zinc/13/12/78/844131278.db2.gz ZZHSECABEPEALG-UHFFFAOYSA-N 2 2 390.281 3.950 20 0 GHADLP COc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC000510923673 844131283 /nfs/dbraw/zinc/13/12/83/844131283.db2.gz ZZHSECABEPEALG-UHFFFAOYSA-N 2 2 390.281 3.950 20 0 GHADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000180496246 836181298 /nfs/dbraw/zinc/18/12/98/836181298.db2.gz XAOJNCCMCMWNBB-HRAATJIYSA-N 2 2 375.919 3.794 20 0 GHADLP C[N@H+](Cc1cccc2c1OC(C)(C)C2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645221 844143083 /nfs/dbraw/zinc/14/30/83/844143083.db2.gz BTEODAAJGJIURK-UHFFFAOYSA-N 2 2 379.548 3.934 20 0 GHADLP C[N@@H+](Cc1cccc2c1OC(C)(C)C2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645221 844143087 /nfs/dbraw/zinc/14/30/87/844143087.db2.gz BTEODAAJGJIURK-UHFFFAOYSA-N 2 2 379.548 3.934 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000533534464 836281215 /nfs/dbraw/zinc/28/12/15/836281215.db2.gz PRVWYCZXEPGGDW-TWWGPRNNSA-N 2 2 382.552 3.724 20 0 GHADLP C[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000376060164 836696712 /nfs/dbraw/zinc/69/67/12/836696712.db2.gz UUNUQEKYXRASRS-OAHLLOKOSA-N 2 2 397.910 3.809 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CC[C@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000237413792 837214890 /nfs/dbraw/zinc/21/48/90/837214890.db2.gz VCDJNXOYCSSOAS-OPYAIIAOSA-N 2 2 381.520 3.715 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000238135678 837924111 /nfs/dbraw/zinc/92/41/11/837924111.db2.gz ZZJNOOWRMJPLHC-QGZVFWFLSA-N 2 2 398.856 3.868 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)C[N@H+]1CCc2ccccc2C1 ZINC000238135678 837924118 /nfs/dbraw/zinc/92/41/18/837924118.db2.gz ZZJNOOWRMJPLHC-QGZVFWFLSA-N 2 2 398.856 3.868 20 0 GHADLP C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000177485714 837964569 /nfs/dbraw/zinc/96/45/69/837964569.db2.gz DHHWOVCYBWVFIN-PKOBYXMFSA-N 2 2 388.556 3.818 20 0 GHADLP Cc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000052212718 844308026 /nfs/dbraw/zinc/30/80/26/844308026.db2.gz QEJSESAJORTILI-QHCPKHFHSA-N 2 2 393.531 3.603 20 0 GHADLP Cc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000052212718 844308039 /nfs/dbraw/zinc/30/80/39/844308039.db2.gz QEJSESAJORTILI-QHCPKHFHSA-N 2 2 393.531 3.603 20 0 GHADLP [NH3+]Cc1ccc(NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000415962494 838320915 /nfs/dbraw/zinc/32/09/15/838320915.db2.gz SWBKAGXRUYUZNT-GOSISDBHSA-N 2 2 390.890 3.896 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000549906740 844317147 /nfs/dbraw/zinc/31/71/47/844317147.db2.gz ADRFPDWDQIJRJC-JTSKRJEESA-N 2 2 392.478 3.853 20 0 GHADLP C[NH2+]Cc1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000415979028 838345665 /nfs/dbraw/zinc/34/56/65/838345665.db2.gz CUYGNWSZMMKNDZ-SFTDATJTSA-N 2 2 375.476 3.653 20 0 GHADLP O=C(C[N@H+](Cc1ccccc1)C1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000110184435 844325872 /nfs/dbraw/zinc/32/58/72/844325872.db2.gz MFQKNFCZGNBQHR-UHFFFAOYSA-N 2 2 395.572 3.839 20 0 GHADLP O=C(C[N@@H+](Cc1ccccc1)C1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000110184435 844325882 /nfs/dbraw/zinc/32/58/82/844325882.db2.gz MFQKNFCZGNBQHR-UHFFFAOYSA-N 2 2 395.572 3.839 20 0 GHADLP CC1(C)CCCN(c2cc[nH+]c(NC3CC[NH+](Cc4ccccn4)CC3)n2)C1 ZINC000656109960 838763143 /nfs/dbraw/zinc/76/31/43/838763143.db2.gz OQWJHYPXWRFWME-UHFFFAOYSA-N 2 2 380.540 3.575 20 0 GHADLP COc1c(C)[nH+]c(C2CC2)nc1NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000656126086 838950862 /nfs/dbraw/zinc/95/08/62/838950862.db2.gz HEKOZHBIIGLMSV-INIZCTEOSA-N 2 2 396.535 3.983 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124275664 838971984 /nfs/dbraw/zinc/97/19/84/838971984.db2.gz RFJCFMBXZLEJRV-IBGZPJMESA-N 2 2 392.503 3.811 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124275664 838972008 /nfs/dbraw/zinc/97/20/08/838972008.db2.gz RFJCFMBXZLEJRV-IBGZPJMESA-N 2 2 392.503 3.811 20 0 GHADLP C[C@@H](NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000549165841 839126881 /nfs/dbraw/zinc/12/68/81/839126881.db2.gz MHAPXDRKWNFIRW-KNQAVFIVSA-N 2 2 379.548 3.754 20 0 GHADLP C[C@@H](NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000549165841 839126887 /nfs/dbraw/zinc/12/68/87/839126887.db2.gz MHAPXDRKWNFIRW-KNQAVFIVSA-N 2 2 379.548 3.754 20 0 GHADLP CN(C(=O)c1cccc2cc[nH]c21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124790152 839228135 /nfs/dbraw/zinc/22/81/35/839228135.db2.gz VNEJGKGWUCBGEU-SFTDATJTSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1cccc2cc[nH]c21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124790152 839228150 /nfs/dbraw/zinc/22/81/50/839228150.db2.gz VNEJGKGWUCBGEU-SFTDATJTSA-N 2 2 382.552 3.577 20 0 GHADLP COc1ccc(C)cc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000513092464 844473792 /nfs/dbraw/zinc/47/37/92/844473792.db2.gz NFTIOIFTAUXGQS-UHFFFAOYSA-N 2 2 381.564 3.691 20 0 GHADLP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCS(=O)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000892990052 839836935 /nfs/dbraw/zinc/83/69/35/839836935.db2.gz XVORITOQDPNKDT-CGQVIPTCSA-N 2 2 388.499 3.589 20 0 GHADLP C[N@H+]1CCC[C@@H](C[NH2+]C2CCS(=O)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000892990052 839836941 /nfs/dbraw/zinc/83/69/41/839836941.db2.gz XVORITOQDPNKDT-CGQVIPTCSA-N 2 2 388.499 3.589 20 0 GHADLP CC(C)Oc1ccc([C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[NH+](C)C)cc1 ZINC000580593339 839870907 /nfs/dbraw/zinc/87/09/07/839870907.db2.gz HLGIINFGNYZXPW-QFIPXVFZSA-N 2 2 392.503 3.692 20 0 GHADLP CCOc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(Br)c1O ZINC000656276695 840039190 /nfs/dbraw/zinc/03/91/90/840039190.db2.gz ICWLCOFXTRZJIP-HOTGVXAUSA-N 2 2 383.330 3.660 20 0 GHADLP CCOc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc(Br)c1O ZINC000656276695 840039198 /nfs/dbraw/zinc/03/91/98/840039198.db2.gz ICWLCOFXTRZJIP-HOTGVXAUSA-N 2 2 383.330 3.660 20 0 GHADLP c1csc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000390612882 840193372 /nfs/dbraw/zinc/19/33/72/840193372.db2.gz XHWXLXJOLUONBB-IBGZPJMESA-N 2 2 382.533 3.519 20 0 GHADLP c1csc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000390612882 840193383 /nfs/dbraw/zinc/19/33/83/840193383.db2.gz XHWXLXJOLUONBB-IBGZPJMESA-N 2 2 382.533 3.519 20 0 GHADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000417001846 840358165 /nfs/dbraw/zinc/35/81/65/840358165.db2.gz WOMQNGWDDALCHR-JOCHJYFZSA-N 2 2 391.519 3.554 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000563060836 840567663 /nfs/dbraw/zinc/56/76/63/840567663.db2.gz GYVPWHRTXCJWPB-BTYIYWSLSA-N 2 2 387.474 3.513 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000563060836 840567667 /nfs/dbraw/zinc/56/76/67/840567667.db2.gz GYVPWHRTXCJWPB-BTYIYWSLSA-N 2 2 387.474 3.513 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000581048332 840639752 /nfs/dbraw/zinc/63/97/52/840639752.db2.gz NKBYGOJZAAZLBH-QFIPXVFZSA-N 2 2 393.531 3.817 20 0 GHADLP COc1ccc(-n2ccc(C[NH2+][C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2)cc1 ZINC000548154075 840650159 /nfs/dbraw/zinc/65/01/59/840650159.db2.gz XFBCQKKKMLVCEP-PZJWPPBQSA-N 2 2 390.531 3.881 20 0 GHADLP COc1ccc(-n2ccc(C[NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2)cc1 ZINC000548154075 840650163 /nfs/dbraw/zinc/65/01/63/840650163.db2.gz XFBCQKKKMLVCEP-PZJWPPBQSA-N 2 2 390.531 3.881 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC2CC[NH+](C3CCC3)CC2)c(C)c1 ZINC000581114950 840728472 /nfs/dbraw/zinc/72/84/72/840728472.db2.gz HDFBICOEMHJDSK-QFIPXVFZSA-N 2 2 395.551 3.557 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC2CC[NH+](C3CCC3)CC2)c(C)c1 ZINC000581114949 840728555 /nfs/dbraw/zinc/72/85/55/840728555.db2.gz HDFBICOEMHJDSK-JOCHJYFZSA-N 2 2 395.551 3.557 20 0 GHADLP C[C@H](CCC[NH3+])NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000417487428 840909517 /nfs/dbraw/zinc/90/95/17/840909517.db2.gz AOMLWFHNBVEASO-GOSISDBHSA-N 2 2 391.519 3.525 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430542159 840944869 /nfs/dbraw/zinc/94/48/69/840944869.db2.gz CJZWJCWHSDMMLF-QJPTWQEYSA-N 2 2 377.838 3.745 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430542159 840944880 /nfs/dbraw/zinc/94/48/80/840944880.db2.gz CJZWJCWHSDMMLF-QJPTWQEYSA-N 2 2 377.838 3.745 20 0 GHADLP Cc1cccc(C)c1[C@H]1CCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000660573908 840950205 /nfs/dbraw/zinc/95/02/05/840950205.db2.gz LIHRPEDPFQRKIP-JOCHJYFZSA-N 2 2 398.595 3.709 20 0 GHADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000430554618 841053431 /nfs/dbraw/zinc/05/34/31/841053431.db2.gz GPCZHNRSXWKHAO-SIKLNZKXSA-N 2 2 385.577 3.527 20 0 GHADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000430554618 841053443 /nfs/dbraw/zinc/05/34/43/841053443.db2.gz GPCZHNRSXWKHAO-SIKLNZKXSA-N 2 2 385.577 3.527 20 0 GHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000430582059 841251381 /nfs/dbraw/zinc/25/13/81/841251381.db2.gz JFBLZOIPSIBDAJ-SRVKXCTJSA-N 2 2 377.838 3.745 20 0 GHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000430582059 841251388 /nfs/dbraw/zinc/25/13/88/841251388.db2.gz JFBLZOIPSIBDAJ-SRVKXCTJSA-N 2 2 377.838 3.745 20 0 GHADLP Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cn2cc[nH+]c12 ZINC000581412797 841311904 /nfs/dbraw/zinc/31/19/04/841311904.db2.gz HCPNCTNLMIHOAF-UHFFFAOYSA-N 2 2 381.455 3.522 20 0 GHADLP Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cn2cc[nH+]c12 ZINC000581412797 841311914 /nfs/dbraw/zinc/31/19/14/841311914.db2.gz HCPNCTNLMIHOAF-UHFFFAOYSA-N 2 2 381.455 3.522 20 0 GHADLP COCc1ccccc1/C=C(\C)CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000511647386 841317370 /nfs/dbraw/zinc/31/73/70/841317370.db2.gz JVCHNFZEHKODFS-XDJHFCHBSA-N 2 2 394.563 3.696 20 0 GHADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(Br)cn3)CC2)C[C@H](C)O1 ZINC000177490510 861193366 /nfs/dbraw/zinc/19/33/66/861193366.db2.gz NVKXGMOFLYEHBT-HOTGVXAUSA-N 2 2 396.373 3.555 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000107697427 841425316 /nfs/dbraw/zinc/42/53/16/841425316.db2.gz GHDWEEQTSVQAPI-OAQYLSRUSA-N 2 2 395.551 3.564 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCCNc1c2[nH+]ccn2ccc1I ZINC001167750743 841733200 /nfs/dbraw/zinc/73/32/00/841733200.db2.gz BAOSOSCILNNQLV-CYBMUJFWSA-N 2 2 398.292 3.615 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCCNc1c2[nH+]ccn2ccc1I ZINC001167750743 841733203 /nfs/dbraw/zinc/73/32/03/841733203.db2.gz BAOSOSCILNNQLV-CYBMUJFWSA-N 2 2 398.292 3.615 20 0 GHADLP CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001167833721 842208508 /nfs/dbraw/zinc/20/85/08/842208508.db2.gz DIRGRRAADYYRHE-UWJYYQICSA-N 2 2 376.541 3.668 20 0 GHADLP CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001167833721 842208524 /nfs/dbraw/zinc/20/85/24/842208524.db2.gz DIRGRRAADYYRHE-UWJYYQICSA-N 2 2 376.541 3.668 20 0 GHADLP CC[NH+](CC)CCC[C@@H](C)N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001167833936 842222391 /nfs/dbraw/zinc/22/23/91/842222391.db2.gz GCWSEKGABDQYBE-HXUWFJFHSA-N 2 2 391.575 3.917 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3ccn4cc[nH+]c4c3)cc2)C1 ZINC000177929473 861285451 /nfs/dbraw/zinc/28/54/51/861285451.db2.gz FNLQVBMEPTZXCU-SFHVURJKSA-N 2 2 391.519 3.566 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3ccn4cc[nH+]c4c3)cc2)C1 ZINC000177929473 861285468 /nfs/dbraw/zinc/28/54/68/861285468.db2.gz FNLQVBMEPTZXCU-SFHVURJKSA-N 2 2 391.519 3.566 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000625243607 861288244 /nfs/dbraw/zinc/28/82/44/861288244.db2.gz ZNJCFAGKPWUHCU-DNVJHFABSA-N 2 2 394.563 3.841 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000625243607 861288258 /nfs/dbraw/zinc/28/82/58/861288258.db2.gz ZNJCFAGKPWUHCU-DNVJHFABSA-N 2 2 394.563 3.841 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc2c(c1)CCCC2 ZINC000247281653 842432620 /nfs/dbraw/zinc/43/26/20/842432620.db2.gz DUKFYTGSNZGOGX-NPPFBWRTSA-N 2 2 380.536 3.522 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc2c(c1)CCCC2 ZINC000247281653 842432623 /nfs/dbraw/zinc/43/26/23/842432623.db2.gz DUKFYTGSNZGOGX-NPPFBWRTSA-N 2 2 380.536 3.522 20 0 GHADLP FC(F)(F)c1ccc(-n2cc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cn2)cc1 ZINC000512100514 842496982 /nfs/dbraw/zinc/49/69/82/842496982.db2.gz PHLWAPQQRZSIOJ-UHFFFAOYSA-N 2 2 378.442 3.998 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162054 842654230 /nfs/dbraw/zinc/65/42/30/842654230.db2.gz FFURACHNFOQGRH-OKZBNKHCSA-N 2 2 396.293 3.694 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162054 842654233 /nfs/dbraw/zinc/65/42/33/842654233.db2.gz FFURACHNFOQGRH-OKZBNKHCSA-N 2 2 396.293 3.694 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(F)ccc1F ZINC000471846935 842827554 /nfs/dbraw/zinc/82/75/54/842827554.db2.gz RZCOHPLHRKDQIW-LAUBAEHRSA-N 2 2 387.474 3.575 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(F)ccc1F ZINC000471846935 842827563 /nfs/dbraw/zinc/82/75/63/842827563.db2.gz RZCOHPLHRKDQIW-LAUBAEHRSA-N 2 2 387.474 3.575 20 0 GHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[NH+](C)C ZINC000510508941 842876189 /nfs/dbraw/zinc/87/61/89/842876189.db2.gz CGEIYLSWVIRFPH-GCJKJVERSA-N 2 2 376.504 3.661 20 0 GHADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[NH+](C)C ZINC000510527301 842905354 /nfs/dbraw/zinc/90/53/54/842905354.db2.gz WUIOMUCHRJJJTE-XMSQKQJNSA-N 2 2 376.504 3.661 20 0 GHADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662266317 843037172 /nfs/dbraw/zinc/03/71/72/843037172.db2.gz LYIJWQUXNVDSAE-MNOVXSKESA-N 2 2 381.236 3.559 20 0 GHADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662266317 843037183 /nfs/dbraw/zinc/03/71/83/843037183.db2.gz LYIJWQUXNVDSAE-MNOVXSKESA-N 2 2 381.236 3.559 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000432305579 843049390 /nfs/dbraw/zinc/04/93/90/843049390.db2.gz CHZMPZQKWAADEN-MSOLQXFVSA-N 2 2 388.515 3.805 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000432305579 843049400 /nfs/dbraw/zinc/04/94/00/843049400.db2.gz CHZMPZQKWAADEN-MSOLQXFVSA-N 2 2 388.515 3.805 20 0 GHADLP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279486398 843076448 /nfs/dbraw/zinc/07/64/48/843076448.db2.gz IARARCHNIGXNAN-UHFFFAOYSA-N 2 2 392.547 3.835 20 0 GHADLP COCCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1OC ZINC000512212221 843106723 /nfs/dbraw/zinc/10/67/23/843106723.db2.gz KRLOLCNWUJAQPK-TZIWHRDSSA-N 2 2 390.568 3.807 20 0 GHADLP COCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1OC ZINC000512212221 843106728 /nfs/dbraw/zinc/10/67/28/843106728.db2.gz KRLOLCNWUJAQPK-TZIWHRDSSA-N 2 2 390.568 3.807 20 0 GHADLP COCCOc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1OC ZINC000512212221 843106734 /nfs/dbraw/zinc/10/67/34/843106734.db2.gz KRLOLCNWUJAQPK-TZIWHRDSSA-N 2 2 390.568 3.807 20 0 GHADLP COCCOc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1OC ZINC000512212221 843106740 /nfs/dbraw/zinc/10/67/40/843106740.db2.gz KRLOLCNWUJAQPK-TZIWHRDSSA-N 2 2 390.568 3.807 20 0 GHADLP C[NH2+][C@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1cccc(Cl)c1Cl ZINC000662378885 843177846 /nfs/dbraw/zinc/17/78/46/843177846.db2.gz JZDAHOZWNYIHBF-ZBFHGGJFSA-N 2 2 386.348 3.735 20 0 GHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cccc2c1C[NH2+]C2 ZINC000662382221 843180038 /nfs/dbraw/zinc/18/00/38/843180038.db2.gz GWQQMKYITHGDBY-LJQANCHMSA-N 2 2 387.886 3.649 20 0 GHADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cccc2c1C[NH2+]C2 ZINC000662382220 843180355 /nfs/dbraw/zinc/18/03/55/843180355.db2.gz GWQQMKYITHGDBY-IBGZPJMESA-N 2 2 387.886 3.649 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000474907668 861395857 /nfs/dbraw/zinc/39/58/57/861395857.db2.gz ORNPLZFBASBENI-QGZVFWFLSA-N 2 2 398.551 3.997 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000474907668 861395866 /nfs/dbraw/zinc/39/58/66/861395866.db2.gz ORNPLZFBASBENI-QGZVFWFLSA-N 2 2 398.551 3.997 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cnccc2C(F)(F)F)CC1 ZINC000663353162 843284038 /nfs/dbraw/zinc/28/40/38/843284038.db2.gz GKZXHMDVIUVEFZ-UHFFFAOYSA-N 2 2 398.860 3.795 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1F ZINC000512278516 843309762 /nfs/dbraw/zinc/30/97/62/843309762.db2.gz QLPCARYIOPRJFG-HSZRJFAPSA-N 2 2 382.479 3.710 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1F ZINC000512278516 843309775 /nfs/dbraw/zinc/30/97/75/843309775.db2.gz QLPCARYIOPRJFG-HSZRJFAPSA-N 2 2 382.479 3.710 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1F ZINC000512278516 843309789 /nfs/dbraw/zinc/30/97/89/843309789.db2.gz QLPCARYIOPRJFG-HSZRJFAPSA-N 2 2 382.479 3.710 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1F ZINC000512278516 843309802 /nfs/dbraw/zinc/30/98/02/843309802.db2.gz QLPCARYIOPRJFG-HSZRJFAPSA-N 2 2 382.479 3.710 20 0 GHADLP Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ccccc1 ZINC000673683883 861405315 /nfs/dbraw/zinc/40/53/15/861405315.db2.gz KKYLWLNAAXBZRX-JOCHJYFZSA-N 2 2 397.482 3.694 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000662511650 843368045 /nfs/dbraw/zinc/36/80/45/843368045.db2.gz XOXZENUWZQUTQP-HSQYWUDLSA-N 2 2 399.485 3.519 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000662511650 843368051 /nfs/dbraw/zinc/36/80/51/843368051.db2.gz XOXZENUWZQUTQP-HSQYWUDLSA-N 2 2 399.485 3.519 20 0 GHADLP COc1ccc(OC)c(C[NH+]2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)c1 ZINC000500455541 843477889 /nfs/dbraw/zinc/47/78/89/843477889.db2.gz HCDWDPNFGUAHKO-UHFFFAOYSA-N 2 2 381.451 3.713 20 0 GHADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662691637 843527629 /nfs/dbraw/zinc/52/76/29/843527629.db2.gz KBYRTMZCOAIUCY-UHFFFAOYSA-N 2 2 391.475 3.594 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1)C(C)C ZINC000673725202 861492339 /nfs/dbraw/zinc/49/23/39/861492339.db2.gz SRUHMELVMLHLAK-UHFFFAOYSA-N 2 2 378.520 3.846 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1)C(C)C ZINC000673725202 861492347 /nfs/dbraw/zinc/49/23/47/861492347.db2.gz SRUHMELVMLHLAK-UHFFFAOYSA-N 2 2 378.520 3.846 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccsc1 ZINC000052877783 844861197 /nfs/dbraw/zinc/86/11/97/844861197.db2.gz MCYZRYIICILAPP-HXUWFJFHSA-N 2 2 382.533 3.806 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(c1ccccc1)C1CC[NH+](C)CC1 ZINC000684628241 844920639 /nfs/dbraw/zinc/92/06/39/844920639.db2.gz LLDZCDHTTZJCGY-UHFFFAOYSA-N 2 2 398.457 3.750 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000512663910 844949852 /nfs/dbraw/zinc/94/98/52/844949852.db2.gz SGLLLOCZAVFPRA-QZTJIDSGSA-N 2 2 386.971 3.879 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC=C(c4cccc5ccccc54)CC3)cn2)CC1 ZINC000512677250 845002739 /nfs/dbraw/zinc/00/27/39/845002739.db2.gz HYQHCHXTUWOHOJ-UHFFFAOYSA-N 2 2 399.542 3.671 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(Oc4cccnc4)c(C)c3)CC2)c1 ZINC000513397842 845365328 /nfs/dbraw/zinc/36/53/28/845365328.db2.gz NZAAIEPGNQFANZ-UHFFFAOYSA-N 2 2 390.487 3.908 20 0 GHADLP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000262718020 845494250 /nfs/dbraw/zinc/49/42/50/845494250.db2.gz WURCIWIOODEADX-HSZRJFAPSA-N 2 2 376.504 3.732 20 0 GHADLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000512806041 845587381 /nfs/dbraw/zinc/58/73/81/845587381.db2.gz PQJHCJXZWQDEKS-UHFFFAOYSA-N 2 2 388.577 3.974 20 0 GHADLP COc1ccc([C@H](CNc2cc[nH+]c3ccc(Cl)cc23)[NH+]2CCOCC2)cc1 ZINC000513652692 846195686 /nfs/dbraw/zinc/19/56/86/846195686.db2.gz NPFSNOIQZPLTJM-QFIPXVFZSA-N 2 2 397.906 3.804 20 0 GHADLP Cc1nc2cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2o1 ZINC000279982929 846253508 /nfs/dbraw/zinc/25/35/08/846253508.db2.gz JWXGHWFPPKXQHO-LEWJYISDSA-N 2 2 398.551 3.545 20 0 GHADLP Cc1nc2cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2o1 ZINC000279982929 846253519 /nfs/dbraw/zinc/25/35/19/846253519.db2.gz JWXGHWFPPKXQHO-LEWJYISDSA-N 2 2 398.551 3.545 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cnn(C2CCCC2)c1 ZINC000502726561 846399903 /nfs/dbraw/zinc/39/99/03/846399903.db2.gz LAMKXGQRGZCWDN-IBGZPJMESA-N 2 2 398.551 3.560 20 0 GHADLP CC1CC[NH+](CCCCNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000502804020 846487769 /nfs/dbraw/zinc/48/77/69/846487769.db2.gz RSUSYNAMRUUFLO-JXMROGBWSA-N 2 2 398.595 3.539 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657362992 846554248 /nfs/dbraw/zinc/55/42/48/846554248.db2.gz DENODGUFAXAZTD-KDOFPFPSSA-N 2 2 379.426 3.822 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657362992 846554250 /nfs/dbraw/zinc/55/42/50/846554250.db2.gz DENODGUFAXAZTD-KDOFPFPSSA-N 2 2 379.426 3.822 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)NCCCNc2cccc[nH+]2)CCCC1)c1ccccc1 ZINC000502928421 846623231 /nfs/dbraw/zinc/62/32/31/846623231.db2.gz HSZOSWKMUAHFEE-LJQANCHMSA-N 2 2 395.551 3.846 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(C)c(C)cc3Cl)CC2)CC1 ZINC000422022584 846755386 /nfs/dbraw/zinc/75/53/86/846755386.db2.gz OVRFQUFVUVKJRU-UHFFFAOYSA-N 2 2 377.960 3.589 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(C)c(C)cc3Cl)CC2)CC1 ZINC000422022584 846755394 /nfs/dbraw/zinc/75/53/94/846755394.db2.gz OVRFQUFVUVKJRU-UHFFFAOYSA-N 2 2 377.960 3.589 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(I)cc2Cl)[C@@H](C)C1 ZINC000501444147 846930721 /nfs/dbraw/zinc/93/07/21/846930721.db2.gz AFMOBZJAOWGJIQ-NHYWBVRUSA-N 2 2 392.712 3.765 20 0 GHADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(I)cc2Cl)[C@@H](C)C1 ZINC000501444147 846930730 /nfs/dbraw/zinc/93/07/30/846930730.db2.gz AFMOBZJAOWGJIQ-NHYWBVRUSA-N 2 2 392.712 3.765 20 0 GHADLP COc1ccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(OC)c1 ZINC000272194326 847013243 /nfs/dbraw/zinc/01/32/43/847013243.db2.gz HUOQKYAKCGNHQZ-INIZCTEOSA-N 2 2 384.524 3.802 20 0 GHADLP C[NH+](C)CCCC1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000272254860 847030188 /nfs/dbraw/zinc/03/01/88/847030188.db2.gz COLFHLYEQPOUHZ-UHFFFAOYSA-N 2 2 399.539 3.548 20 0 GHADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000420311404 847109037 /nfs/dbraw/zinc/10/90/37/847109037.db2.gz VUMRDWZQIQUZPY-YLJYHZDGSA-N 2 2 394.437 3.830 20 0 GHADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000420311404 847109045 /nfs/dbraw/zinc/10/90/45/847109045.db2.gz VUMRDWZQIQUZPY-YLJYHZDGSA-N 2 2 394.437 3.830 20 0 GHADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000420311402 847109296 /nfs/dbraw/zinc/10/92/96/847109296.db2.gz VUMRDWZQIQUZPY-XLIONFOSSA-N 2 2 394.437 3.830 20 0 GHADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000420311402 847109305 /nfs/dbraw/zinc/10/93/05/847109305.db2.gz VUMRDWZQIQUZPY-XLIONFOSSA-N 2 2 394.437 3.830 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N(Cc1ccccc1)c1ccccc1 ZINC000420385084 847152625 /nfs/dbraw/zinc/15/26/25/847152625.db2.gz FEGYPQQYFCHNBE-FYYLOGMGSA-N 2 2 377.532 3.684 20 0 GHADLP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N(Cc1ccccc1)c1ccccc1 ZINC000420385084 847152627 /nfs/dbraw/zinc/15/26/27/847152627.db2.gz FEGYPQQYFCHNBE-FYYLOGMGSA-N 2 2 377.532 3.684 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000420402454 847167620 /nfs/dbraw/zinc/16/76/20/847167620.db2.gz QJTRSXMHZKOJCW-IEBWSBKVSA-N 2 2 385.533 3.561 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000420402454 847167630 /nfs/dbraw/zinc/16/76/30/847167630.db2.gz QJTRSXMHZKOJCW-IEBWSBKVSA-N 2 2 385.533 3.561 20 0 GHADLP CS(=O)(=O)c1cccc(Cl)c1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000273384852 847323439 /nfs/dbraw/zinc/32/34/39/847323439.db2.gz GOOJBJNBNRMRFI-UHFFFAOYSA-N 2 2 392.952 3.629 20 0 GHADLP CCC[C@@H](NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)C1CCCC1 ZINC000422216819 847475728 /nfs/dbraw/zinc/47/57/28/847475728.db2.gz WBOLPJOGGQNJKA-OAQYLSRUSA-N 2 2 378.605 3.547 20 0 GHADLP CCC[C@@H](NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)C1CCCC1 ZINC000422216819 847475734 /nfs/dbraw/zinc/47/57/34/847475734.db2.gz WBOLPJOGGQNJKA-OAQYLSRUSA-N 2 2 378.605 3.547 20 0 GHADLP c1ccc2sc(C3C[NH+](Cc4ccc(C[NH+]5CCOCC5)cc4)C3)nc2c1 ZINC000420946637 847568581 /nfs/dbraw/zinc/56/85/81/847568581.db2.gz NSLKHDMZDSLIKP-UHFFFAOYSA-N 2 2 379.529 3.728 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)c3ncc(-c4ccccc4)o3)CC2)CC1 ZINC000420984917 847591690 /nfs/dbraw/zinc/59/16/90/847591690.db2.gz VIRWCBHBEYTZLM-IBGZPJMESA-N 2 2 382.552 3.895 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3ncc(-c4ccccc4)o3)CC2)CC1 ZINC000420984917 847591698 /nfs/dbraw/zinc/59/16/98/847591698.db2.gz VIRWCBHBEYTZLM-IBGZPJMESA-N 2 2 382.552 3.895 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN([C@@H](C)c3ncc(-c4ccccc4)o3)CC2)CC1 ZINC000420984917 847591706 /nfs/dbraw/zinc/59/17/06/847591706.db2.gz VIRWCBHBEYTZLM-IBGZPJMESA-N 2 2 382.552 3.895 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN([C@@H](C)c3ncc(-c4ccccc4)o3)CC2)CC1 ZINC000420984917 847591709 /nfs/dbraw/zinc/59/17/09/847591709.db2.gz VIRWCBHBEYTZLM-IBGZPJMESA-N 2 2 382.552 3.895 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3csc(CCC(C)C)n3)CC2)CC1 ZINC000420979168 847605679 /nfs/dbraw/zinc/60/56/79/847605679.db2.gz JXMDOHDRKDFFCR-UHFFFAOYSA-N 2 2 378.630 3.724 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3csc(CCC(C)C)n3)CC2)CC1 ZINC000420979168 847605686 /nfs/dbraw/zinc/60/56/86/847605686.db2.gz JXMDOHDRKDFFCR-UHFFFAOYSA-N 2 2 378.630 3.724 20 0 GHADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380696 847654828 /nfs/dbraw/zinc/65/48/28/847654828.db2.gz VYBADWHXUJSKSL-AGRFSFNASA-N 2 2 386.584 3.728 20 0 GHADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380696 847654835 /nfs/dbraw/zinc/65/48/35/847654835.db2.gz VYBADWHXUJSKSL-AGRFSFNASA-N 2 2 386.584 3.728 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3CCCC34CCOCC4)CC2)cc1 ZINC000502259527 847667039 /nfs/dbraw/zinc/66/70/39/847667039.db2.gz WGPAGPDGYKGJDC-HSZRJFAPSA-N 2 2 385.596 3.523 20 0 GHADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000422632151 847742006 /nfs/dbraw/zinc/74/20/06/847742006.db2.gz GIGWUMNNWCDHTE-UTUOFQBUSA-N 2 2 377.838 3.603 20 0 GHADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000422632151 847742014 /nfs/dbraw/zinc/74/20/14/847742014.db2.gz GIGWUMNNWCDHTE-UTUOFQBUSA-N 2 2 377.838 3.603 20 0 GHADLP Fc1ccc(-n2cc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cn2)cc1 ZINC000502344061 847777514 /nfs/dbraw/zinc/77/75/14/847777514.db2.gz UECCSHSFWKBDHI-SFHVURJKSA-N 2 2 379.483 3.924 20 0 GHADLP Fc1ccc(-n2cc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cn2)cc1 ZINC000502344061 847777518 /nfs/dbraw/zinc/77/75/18/847777518.db2.gz UECCSHSFWKBDHI-SFHVURJKSA-N 2 2 379.483 3.924 20 0 GHADLP COc1ccc(Oc2cc(C[NH2+][C@H](Cc3ccccc3)[C@H](C)[NH3+])ccn2)cc1 ZINC000422690552 847782593 /nfs/dbraw/zinc/78/25/93/847782593.db2.gz GSOVNFSEDJPVJO-HTAPYJJXSA-N 2 2 377.488 3.931 20 0 GHADLP C[C@H](c1cccc(NCc2ccc(C[NH+]3CCOCC3)cc2)c1)[NH+]1CCOCC1 ZINC000421198192 847860768 /nfs/dbraw/zinc/86/07/68/847860768.db2.gz BXXVGNXWZOFHRR-HXUWFJFHSA-N 2 2 395.547 3.524 20 0 GHADLP COc1cccc(Oc2ccc(C[NH2+][C@H](Cc3ccccc3)[C@H](C)[NH3+])cn2)c1 ZINC000422893508 847888161 /nfs/dbraw/zinc/88/81/61/847888161.db2.gz ACAFEEQXXDYRQC-HTAPYJJXSA-N 2 2 377.488 3.931 20 0 GHADLP C[C@H](NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422895069 847888865 /nfs/dbraw/zinc/88/88/65/847888865.db2.gz VETGBDXMJHSTSB-KXBFYZLASA-N 2 2 380.374 3.534 20 0 GHADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)c2ccccc21 ZINC000422973661 847924096 /nfs/dbraw/zinc/92/40/96/847924096.db2.gz PGJCAXDPJPEWMD-FGZHOGPDSA-N 2 2 375.472 3.774 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC000657564395 848216297 /nfs/dbraw/zinc/21/62/97/848216297.db2.gz USQHUUMMILJCIM-SFHVURJKSA-N 2 2 394.401 3.876 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC000657564395 848216303 /nfs/dbraw/zinc/21/63/03/848216303.db2.gz USQHUUMMILJCIM-SFHVURJKSA-N 2 2 394.401 3.876 20 0 GHADLP c1cc2cc(C[N@H+]3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)ccc2[nH]1 ZINC000628158638 848389287 /nfs/dbraw/zinc/38/92/87/848389287.db2.gz UHDWGERZGUQSCG-NRFANRHFSA-N 2 2 389.547 3.597 20 0 GHADLP c1cc2cc(C[N@@H+]3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)ccc2[nH]1 ZINC000628158638 848389292 /nfs/dbraw/zinc/38/92/92/848389292.db2.gz UHDWGERZGUQSCG-NRFANRHFSA-N 2 2 389.547 3.597 20 0 GHADLP CC[N@H+](CCn1nc(C)cc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000582815798 848448009 /nfs/dbraw/zinc/44/80/09/848448009.db2.gz HZEZSSDSKAGUPO-UHFFFAOYSA-N 2 2 384.572 3.713 20 0 GHADLP CC[N@@H+](CCn1nc(C)cc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000582815798 848448018 /nfs/dbraw/zinc/44/80/18/848448018.db2.gz HZEZSSDSKAGUPO-UHFFFAOYSA-N 2 2 384.572 3.713 20 0 GHADLP O=C(C1CC[NH2+]CC1)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000237652221 848503423 /nfs/dbraw/zinc/50/34/23/848503423.db2.gz XUBWIQPJFVBDAO-JOCHJYFZSA-N 2 2 397.950 3.573 20 0 GHADLP CCC(CC)[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000604173458 861929293 /nfs/dbraw/zinc/92/92/93/861929293.db2.gz KPPHGEDSIVCJHE-UNMCSNQZSA-N 2 2 386.584 3.632 20 0 GHADLP CCC(CC)[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000604173458 861929302 /nfs/dbraw/zinc/92/93/02/861929302.db2.gz KPPHGEDSIVCJHE-UNMCSNQZSA-N 2 2 386.584 3.632 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000472275444 848850138 /nfs/dbraw/zinc/85/01/38/848850138.db2.gz JQQPEHGBUWVWBQ-CVEARBPZSA-N 2 2 380.483 3.925 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000472275444 848850143 /nfs/dbraw/zinc/85/01/43/848850143.db2.gz JQQPEHGBUWVWBQ-CVEARBPZSA-N 2 2 380.483 3.925 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(F)c(C(F)(F)F)c3)[nH+]c2)CC1 ZINC000535945983 849208707 /nfs/dbraw/zinc/20/87/07/849208707.db2.gz ZIHTXSAYWZFMNW-UHFFFAOYSA-N 2 2 396.432 3.804 20 0 GHADLP CCCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H](CC)c1ccccc1 ZINC000604208948 861993763 /nfs/dbraw/zinc/99/37/63/861993763.db2.gz KZKLNFYHRDHRDK-UNMCSNQZSA-N 2 2 386.584 3.728 20 0 GHADLP CCCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H](CC)c1ccccc1 ZINC000604208948 861993768 /nfs/dbraw/zinc/99/37/68/861993768.db2.gz KZKLNFYHRDHRDK-UNMCSNQZSA-N 2 2 386.584 3.728 20 0 GHADLP CCN(Cc1ccc2ccccc2c1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604209460 861995991 /nfs/dbraw/zinc/99/59/91/861995991.db2.gz UJWSEKYLVKWUDS-QFIPXVFZSA-N 2 2 394.563 3.540 20 0 GHADLP CCN(Cc1ccc2ccccc2c1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604209460 861995998 /nfs/dbraw/zinc/99/59/98/861995998.db2.gz UJWSEKYLVKWUDS-QFIPXVFZSA-N 2 2 394.563 3.540 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc2ccccc2c1 ZINC000150850682 849424222 /nfs/dbraw/zinc/42/42/22/849424222.db2.gz JBGSVYSJUHEXQE-SLFFLAALSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc2ccccc2c1 ZINC000150850682 849424230 /nfs/dbraw/zinc/42/42/30/849424230.db2.gz JBGSVYSJUHEXQE-SLFFLAALSA-N 2 2 379.548 3.823 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000162831823 849534422 /nfs/dbraw/zinc/53/44/22/849534422.db2.gz ZYTFNMHLMRFDGL-UHFFFAOYSA-N 2 2 386.927 3.822 20 0 GHADLP COCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000583321519 849630219 /nfs/dbraw/zinc/63/02/19/849630219.db2.gz OFICPKPMZLBOHO-QFIPXVFZSA-N 2 2 393.531 3.558 20 0 GHADLP COCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000583321519 849630224 /nfs/dbraw/zinc/63/02/24/849630224.db2.gz OFICPKPMZLBOHO-QFIPXVFZSA-N 2 2 393.531 3.558 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000423241249 849824354 /nfs/dbraw/zinc/82/43/54/849824354.db2.gz LEORJRRPVTZWPR-KKSFZXQISA-N 2 2 389.565 3.922 20 0 GHADLP CC(C)[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000278253249 849882085 /nfs/dbraw/zinc/88/20/85/849882085.db2.gz PKVJJYGKNCFHDT-NRFANRHFSA-N 2 2 384.568 3.514 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(Br)cc1Br ZINC000423387675 849896711 /nfs/dbraw/zinc/89/67/11/849896711.db2.gz HXALYQCNBRSDIY-ISTVAULSSA-N 2 2 376.136 3.860 20 0 GHADLP Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423525961 849968708 /nfs/dbraw/zinc/96/87/08/849968708.db2.gz QBYUINJGJGZVQO-ABAIWWIYSA-N 2 2 396.354 3.520 20 0 GHADLP CC(C)[C@H](CC1CCCCC1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604331519 862090239 /nfs/dbraw/zinc/09/02/39/862090239.db2.gz RFKRSVVWJZVINB-VXKWHMMOSA-N 2 2 377.617 3.856 20 0 GHADLP CC(C)[C@H](CC1CCCCC1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604331519 862090250 /nfs/dbraw/zinc/09/02/50/862090250.db2.gz RFKRSVVWJZVINB-VXKWHMMOSA-N 2 2 377.617 3.856 20 0 GHADLP Cc1ccc([C@@H]2CCCCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000514757654 850251796 /nfs/dbraw/zinc/25/17/96/850251796.db2.gz ARBNRIGCEOFJRY-FQEVSTJZSA-N 2 2 396.535 3.639 20 0 GHADLP Cc1ccc([C@@H]2CCCCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000514757654 850251810 /nfs/dbraw/zinc/25/18/10/850251810.db2.gz ARBNRIGCEOFJRY-FQEVSTJZSA-N 2 2 396.535 3.639 20 0 GHADLP O=C(Nc1ccccc1-n1cc[nH+]c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000505641325 850266686 /nfs/dbraw/zinc/26/66/86/850266686.db2.gz UZQWIRAIUIDOCZ-SFHVURJKSA-N 2 2 396.441 3.968 20 0 GHADLP O=C(Nc1ccccc1-n1cc[nH+]c1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000505641325 850266697 /nfs/dbraw/zinc/26/66/97/850266697.db2.gz UZQWIRAIUIDOCZ-SFHVURJKSA-N 2 2 396.441 3.968 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000486960396 850300261 /nfs/dbraw/zinc/30/02/61/850300261.db2.gz ZHDNMFCMAAIBBR-GASCZTMLSA-N 2 2 396.457 3.684 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000486960396 850300273 /nfs/dbraw/zinc/30/02/73/850300273.db2.gz ZHDNMFCMAAIBBR-GASCZTMLSA-N 2 2 396.457 3.684 20 0 GHADLP Cc1ccc(NC(=O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(Cl)c1 ZINC000425341206 850383302 /nfs/dbraw/zinc/38/33/02/850383302.db2.gz CLXRAYVHWWXMDC-UHFFFAOYSA-N 2 2 385.939 3.884 20 0 GHADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Br)ccc1OCc1ccccn1 ZINC000435374419 850423030 /nfs/dbraw/zinc/42/30/30/850423030.db2.gz ITKNSALEMHTLKT-LSDHHAIUSA-N 2 2 390.325 3.592 20 0 GHADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Br)ccc1OCc1ccccn1 ZINC000435374419 850423037 /nfs/dbraw/zinc/42/30/37/850423037.db2.gz ITKNSALEMHTLKT-LSDHHAIUSA-N 2 2 390.325 3.592 20 0 GHADLP CCOc1c(OC)cc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435392601 850459054 /nfs/dbraw/zinc/45/90/54/850459054.db2.gz XMNSGKVOIRTAMM-FQEVSTJZSA-N 2 2 399.535 3.642 20 0 GHADLP CCOc1c(OC)cc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435392601 850459058 /nfs/dbraw/zinc/45/90/58/850459058.db2.gz XMNSGKVOIRTAMM-FQEVSTJZSA-N 2 2 399.535 3.642 20 0 GHADLP Cn1ccnc1C[N@H+](Cc1ccccc1C(F)(F)F)[C@H]1CC12CC[NH2+]CC2 ZINC000435422973 850503545 /nfs/dbraw/zinc/50/35/45/850503545.db2.gz NZSYNKNTBVJULZ-KRWDZBQOSA-N 2 2 378.442 3.583 20 0 GHADLP Cn1ccnc1C[N@@H+](Cc1ccccc1C(F)(F)F)[C@H]1CC12CC[NH2+]CC2 ZINC000435422973 850503550 /nfs/dbraw/zinc/50/35/50/850503550.db2.gz NZSYNKNTBVJULZ-KRWDZBQOSA-N 2 2 378.442 3.583 20 0 GHADLP CCCOc1cc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)ccc1OC ZINC000435437318 850525724 /nfs/dbraw/zinc/52/57/24/850525724.db2.gz KGORYCPZPQRGAH-GOSISDBHSA-N 2 2 389.565 3.861 20 0 GHADLP CCCOc1cc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)ccc1OC ZINC000435437318 850525734 /nfs/dbraw/zinc/52/57/34/850525734.db2.gz KGORYCPZPQRGAH-GOSISDBHSA-N 2 2 389.565 3.861 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1cc(C)c2ncccc2c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435438500 850526449 /nfs/dbraw/zinc/52/64/49/850526449.db2.gz OSSSHGBWFWEUHR-OAQYLSRUSA-N 2 2 389.547 3.904 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1cc(C)c2ncccc2c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435438500 850526452 /nfs/dbraw/zinc/52/64/52/850526452.db2.gz OSSSHGBWFWEUHR-OAQYLSRUSA-N 2 2 389.547 3.904 20 0 GHADLP CN(C(=O)NC1CCC2(CC2)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000434454986 851158025 /nfs/dbraw/zinc/15/80/25/851158025.db2.gz UGAQYIUGDBWDBH-NHCUHLMSSA-N 2 2 390.616 3.688 20 0 GHADLP CN(C(=O)NC1CCC2(CC2)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000434454986 851158033 /nfs/dbraw/zinc/15/80/33/851158033.db2.gz UGAQYIUGDBWDBH-NHCUHLMSSA-N 2 2 390.616 3.688 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000515555049 851167844 /nfs/dbraw/zinc/16/78/44/851167844.db2.gz MMAJPNGPUDZKSH-CVDCTZTESA-N 2 2 395.522 3.868 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000515555049 851167852 /nfs/dbraw/zinc/16/78/52/851167852.db2.gz MMAJPNGPUDZKSH-CVDCTZTESA-N 2 2 395.522 3.868 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(I)c(Cl)c2)CC[N@@H+]1C ZINC000436154185 851265226 /nfs/dbraw/zinc/26/52/26/851265226.db2.gz QNFWCGBAJGZCOT-YPMHNXCESA-N 2 2 392.712 3.859 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(I)c(Cl)c2)CC[N@H+]1C ZINC000436154185 851265233 /nfs/dbraw/zinc/26/52/33/851265233.db2.gz QNFWCGBAJGZCOT-YPMHNXCESA-N 2 2 392.712 3.859 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(I)c(Cl)c2)CC[NH+]1C ZINC000436154185 851265241 /nfs/dbraw/zinc/26/52/41/851265241.db2.gz QNFWCGBAJGZCOT-YPMHNXCESA-N 2 2 392.712 3.859 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(I)c(Cl)c2)CC[NH+]1C ZINC000436154185 851265251 /nfs/dbraw/zinc/26/52/51/851265251.db2.gz QNFWCGBAJGZCOT-YPMHNXCESA-N 2 2 392.712 3.859 20 0 GHADLP CCC[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000625518432 862224808 /nfs/dbraw/zinc/22/48/08/862224808.db2.gz AZEKTFVXXYDINW-AZUAARDMSA-N 2 2 377.960 3.508 20 0 GHADLP CCC[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000625518432 862224827 /nfs/dbraw/zinc/22/48/27/862224827.db2.gz AZEKTFVXXYDINW-AZUAARDMSA-N 2 2 377.960 3.508 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000434679809 851448270 /nfs/dbraw/zinc/44/82/70/851448270.db2.gz QQUOAGSIFUYIII-RXVVDRJESA-N 2 2 384.568 3.580 20 0 GHADLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccnn3C3CCC3)CC2)c1C ZINC000894490933 851502332 /nfs/dbraw/zinc/50/23/32/851502332.db2.gz DBHNZDDFDWRUEG-UHFFFAOYSA-N 2 2 397.567 3.725 20 0 GHADLP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccnn3C3CCC3)CC2)c1C ZINC000894490933 851502337 /nfs/dbraw/zinc/50/23/37/851502337.db2.gz DBHNZDDFDWRUEG-UHFFFAOYSA-N 2 2 397.567 3.725 20 0 GHADLP CC(C)OC(=O)c1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000434736184 851619837 /nfs/dbraw/zinc/61/98/37/851619837.db2.gz FTAFGOQRMADBGI-VXKWHMMOSA-N 2 2 381.520 3.772 20 0 GHADLP CC(C)OC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000434736184 851619845 /nfs/dbraw/zinc/61/98/45/851619845.db2.gz FTAFGOQRMADBGI-VXKWHMMOSA-N 2 2 381.520 3.772 20 0 GHADLP CC(C)OC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000434736184 851619850 /nfs/dbraw/zinc/61/98/50/851619850.db2.gz FTAFGOQRMADBGI-VXKWHMMOSA-N 2 2 381.520 3.772 20 0 GHADLP CC(C)OC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000434736184 851619858 /nfs/dbraw/zinc/61/98/58/851619858.db2.gz FTAFGOQRMADBGI-VXKWHMMOSA-N 2 2 381.520 3.772 20 0 GHADLP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505504835 851620260 /nfs/dbraw/zinc/62/02/60/851620260.db2.gz GIILXHNDXWFXTJ-QFIPXVFZSA-N 2 2 381.495 3.598 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000101600888 851722243 /nfs/dbraw/zinc/72/22/43/851722243.db2.gz JVFNFBCAVZJLKE-IBGZPJMESA-N 2 2 389.927 3.632 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000101600888 851722253 /nfs/dbraw/zinc/72/22/53/851722253.db2.gz JVFNFBCAVZJLKE-IBGZPJMESA-N 2 2 389.927 3.632 20 0 GHADLP C[C@H](c1nnnn1C1CC1)[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838599 851882078 /nfs/dbraw/zinc/88/20/78/851882078.db2.gz VFASHSFEZIAPSC-DYESRHJHSA-N 2 2 394.567 3.692 20 0 GHADLP C[C@H](c1nnnn1C1CC1)[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838599 851882083 /nfs/dbraw/zinc/88/20/83/851882083.db2.gz VFASHSFEZIAPSC-DYESRHJHSA-N 2 2 394.567 3.692 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC4(CCC4)[C@@H]3C3CCOCC3)C2)cc1 ZINC000425558903 851934460 /nfs/dbraw/zinc/93/44/60/851934460.db2.gz YHHFJRSBUOHEIQ-GOTSBHOMSA-N 2 2 384.564 3.559 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC4(CCC4)[C@@H]3C3CCOCC3)C2)cc1 ZINC000425558903 851934469 /nfs/dbraw/zinc/93/44/69/851934469.db2.gz YHHFJRSBUOHEIQ-GOTSBHOMSA-N 2 2 384.564 3.559 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC4(CCC4)[C@@H]3C3CCOCC3)C2)cc1 ZINC000425558903 851934477 /nfs/dbraw/zinc/93/44/77/851934477.db2.gz YHHFJRSBUOHEIQ-GOTSBHOMSA-N 2 2 384.564 3.559 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC4(CCC4)[C@@H]3C3CCOCC3)C2)cc1 ZINC000425558903 851934480 /nfs/dbraw/zinc/93/44/80/851934480.db2.gz YHHFJRSBUOHEIQ-GOTSBHOMSA-N 2 2 384.564 3.559 20 0 GHADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425941980 851947035 /nfs/dbraw/zinc/94/70/35/851947035.db2.gz DEKILKNYGJFXNT-HTAPYJJXSA-N 2 2 390.474 3.918 20 0 GHADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425941980 851947039 /nfs/dbraw/zinc/94/70/39/851947039.db2.gz DEKILKNYGJFXNT-HTAPYJJXSA-N 2 2 390.474 3.918 20 0 GHADLP C[C@@H](c1ccc(OC(F)F)cc1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425941980 851947045 /nfs/dbraw/zinc/94/70/45/851947045.db2.gz DEKILKNYGJFXNT-HTAPYJJXSA-N 2 2 390.474 3.918 20 0 GHADLP C[C@@H](c1ccc(OC(F)F)cc1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425941980 851947050 /nfs/dbraw/zinc/94/70/50/851947050.db2.gz DEKILKNYGJFXNT-HTAPYJJXSA-N 2 2 390.474 3.918 20 0 GHADLP Cc1cn2cc(NC(=O)NC3[C@@H](C)C[NH+](Cc4ccccc4)C[C@@H]3C)ccc2[nH+]1 ZINC000473800702 852086001 /nfs/dbraw/zinc/08/60/01/852086001.db2.gz SEGMDKTYBNGVPZ-IRXDYDNUSA-N 2 2 391.519 3.921 20 0 GHADLP Clc1ccc(-n2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)nn2)c(Cl)c1 ZINC000506876177 852296554 /nfs/dbraw/zinc/29/65/54/852296554.db2.gz PQXYOPSIUBQHQK-UHFFFAOYSA-N 2 2 394.350 3.882 20 0 GHADLP CN(C(=O)c1sc2ccccc2c1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732565571 862359141 /nfs/dbraw/zinc/35/91/41/862359141.db2.gz ZYKVZZLXDBTITK-OAHLLOKOSA-N 2 2 391.968 3.795 20 0 GHADLP CN(C(=O)c1sc2ccccc2c1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732565571 862359158 /nfs/dbraw/zinc/35/91/58/862359158.db2.gz ZYKVZZLXDBTITK-OAHLLOKOSA-N 2 2 391.968 3.795 20 0 GHADLP C[C@H]1C[C@H](N(C)C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC[N@@H+]1C ZINC000425676831 852596461 /nfs/dbraw/zinc/59/64/61/852596461.db2.gz UAMMFSYPCIOZSQ-DLBZAZTESA-N 2 2 381.524 3.833 20 0 GHADLP C[C@H]1C[C@H](N(C)C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC[N@H+]1C ZINC000425676831 852596469 /nfs/dbraw/zinc/59/64/69/852596469.db2.gz UAMMFSYPCIOZSQ-DLBZAZTESA-N 2 2 381.524 3.833 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000506325505 852743704 /nfs/dbraw/zinc/74/37/04/852743704.db2.gz KPIDDXQIYPEZPI-UHFFFAOYSA-N 3 2 384.612 3.669 20 0 GHADLP FC(F)Oc1ccc2ccccc2c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000506010894 852940732 /nfs/dbraw/zinc/94/07/32/852940732.db2.gz VLTWOYBCHWTJRQ-UHFFFAOYSA-N 2 2 389.490 3.655 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CC([NH+]4CCCCC4)C3)n2)C1 ZINC000519608832 852998288 /nfs/dbraw/zinc/99/82/88/852998288.db2.gz KHTXWHJEMHAUCC-KLHKWILBSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CC([NH+]4CCCCC4)C3)n2)C1 ZINC000519608832 852998289 /nfs/dbraw/zinc/99/82/89/852998289.db2.gz KHTXWHJEMHAUCC-KLHKWILBSA-N 2 2 391.585 3.513 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](Cc2ccc(C)cc2)c2ccccn2)CC1 ZINC000516797803 853018239 /nfs/dbraw/zinc/01/82/39/853018239.db2.gz HXSZWDINKIPTRV-QHCPKHFHSA-N 2 2 395.547 3.681 20 0 GHADLP CC[C@H]1CC[C@H](C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000438940810 853108452 /nfs/dbraw/zinc/10/84/52/853108452.db2.gz CTEXUZJFGHQDKC-CZAYHTPWSA-N 2 2 377.617 3.998 20 0 GHADLP CC[C@H]1CC[C@H](C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000438940810 853108457 /nfs/dbraw/zinc/10/84/57/853108457.db2.gz CTEXUZJFGHQDKC-CZAYHTPWSA-N 2 2 377.617 3.998 20 0 GHADLP [NH3+][C@H](CCC(=O)NCCc1[nH+]ccn1Cc1ccccc1)CC1CCCCC1 ZINC000518368780 853266865 /nfs/dbraw/zinc/26/68/65/853266865.db2.gz KGGSIPWBELIWDD-OAQYLSRUSA-N 2 2 382.552 3.668 20 0 GHADLP CN1CC[NH+](CC2CC[NH+](Cc3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC000517037158 853286696 /nfs/dbraw/zinc/28/66/96/853286696.db2.gz NAIRDBGXBBAMGY-UHFFFAOYSA-N 2 2 389.893 3.818 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2ccccc2OCc2ccc(C(=O)OC)cc2)CC1 ZINC000437589399 853305618 /nfs/dbraw/zinc/30/56/18/853305618.db2.gz LGXLSAPUTGLGFU-UHFFFAOYSA-N 2 2 396.531 3.968 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2OCc2ccc(C(=O)OC)cc2)CC1 ZINC000437589399 853305625 /nfs/dbraw/zinc/30/56/25/853305625.db2.gz LGXLSAPUTGLGFU-UHFFFAOYSA-N 2 2 396.531 3.968 20 0 GHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437644330 853357568 /nfs/dbraw/zinc/35/75/68/853357568.db2.gz FMYIDJWIWJHPDD-QFIPXVFZSA-N 2 2 395.551 3.528 20 0 GHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437644330 853357577 /nfs/dbraw/zinc/35/75/77/853357577.db2.gz FMYIDJWIWJHPDD-QFIPXVFZSA-N 2 2 395.551 3.528 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437659831 853388564 /nfs/dbraw/zinc/38/85/64/853388564.db2.gz XYGOTACFCOJXQD-LJQANCHMSA-N 2 2 399.514 3.608 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437659831 853388574 /nfs/dbraw/zinc/38/85/74/853388574.db2.gz XYGOTACFCOJXQD-LJQANCHMSA-N 2 2 399.514 3.608 20 0 GHADLP CC[N@H+](CCC(=O)OC(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440700991 853540213 /nfs/dbraw/zinc/54/02/13/853540213.db2.gz HZMUMJMEZCRDAI-UHFFFAOYSA-N 2 2 376.545 3.541 20 0 GHADLP CC[N@@H+](CCC(=O)OC(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440700991 853540220 /nfs/dbraw/zinc/54/02/20/853540220.db2.gz HZMUMJMEZCRDAI-UHFFFAOYSA-N 2 2 376.545 3.541 20 0 GHADLP Cc1nc2ccc(C[N@@H+](C)C[C@]3(O)CC[NH+](Cc4ccccc4)C3)cc2s1 ZINC000426355685 853558046 /nfs/dbraw/zinc/55/80/46/853558046.db2.gz CGYALKTWUYMBCK-JOCHJYFZSA-N 2 2 381.545 3.674 20 0 GHADLP Cc1nc2ccc(C[N@H+](C)C[C@]3(O)CC[NH+](Cc4ccccc4)C3)cc2s1 ZINC000426355685 853558056 /nfs/dbraw/zinc/55/80/56/853558056.db2.gz CGYALKTWUYMBCK-JOCHJYFZSA-N 2 2 381.545 3.674 20 0 GHADLP Cc1nc2ccc(C[NH+](C)C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2s1 ZINC000426355685 853558062 /nfs/dbraw/zinc/55/80/62/853558062.db2.gz CGYALKTWUYMBCK-JOCHJYFZSA-N 2 2 381.545 3.674 20 0 GHADLP Cc1nc2ccc(C[NH+](C)C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2s1 ZINC000426355685 853558072 /nfs/dbraw/zinc/55/80/72/853558072.db2.gz CGYALKTWUYMBCK-JOCHJYFZSA-N 2 2 381.545 3.674 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437839170 853599467 /nfs/dbraw/zinc/59/94/67/853599467.db2.gz MBLSIIPPZBFKFI-MRXNPFEDSA-N 2 2 390.478 3.536 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437839170 853599472 /nfs/dbraw/zinc/59/94/72/853599472.db2.gz MBLSIIPPZBFKFI-MRXNPFEDSA-N 2 2 390.478 3.536 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC(C)(C)[NH+]2CCCCC2)c(C)c1 ZINC000440808587 853654035 /nfs/dbraw/zinc/65/40/35/853654035.db2.gz MSYIZQUZWDIIRB-OAQYLSRUSA-N 2 2 397.567 3.805 20 0 GHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccc(C[NH2+]C)cc2)[C@@H](C)C1 ZINC000415987783 853665344 /nfs/dbraw/zinc/66/53/44/853665344.db2.gz YNHGNVAZOMQNKI-SFHVURJKSA-N 2 2 396.535 3.543 20 0 GHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccc(C[NH2+]C)cc2)[C@@H](C)C1 ZINC000415987783 853665354 /nfs/dbraw/zinc/66/53/54/853665354.db2.gz YNHGNVAZOMQNKI-SFHVURJKSA-N 2 2 396.535 3.543 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C)C[NH+]2CCCCC2)c(C)c1 ZINC000440843714 853675816 /nfs/dbraw/zinc/67/58/16/853675816.db2.gz LZHBUQVKFYUQDH-UGKGYDQZSA-N 2 2 397.567 3.662 20 0 GHADLP CC[NH+]1CCC(NC(=O)C[N@H+](CC=C(C)C)Cc2ccc(Cl)cc2)CC1 ZINC000439486733 853695164 /nfs/dbraw/zinc/69/51/64/853695164.db2.gz NSKJSZWUWUOHTG-UHFFFAOYSA-N 2 2 377.960 3.709 20 0 GHADLP CC[NH+]1CCC(NC(=O)C[N@@H+](CC=C(C)C)Cc2ccc(Cl)cc2)CC1 ZINC000439486733 853695167 /nfs/dbraw/zinc/69/51/67/853695167.db2.gz NSKJSZWUWUOHTG-UHFFFAOYSA-N 2 2 377.960 3.709 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NCc2cccs2)c(C)c1 ZINC000441376390 854160567 /nfs/dbraw/zinc/16/05/67/854160567.db2.gz JXZRMWATRVDFCA-XLIONFOSSA-N 2 2 382.533 3.597 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1 ZINC000441380100 854166149 /nfs/dbraw/zinc/16/61/49/854166149.db2.gz PGFWYVLHQGIRKL-QFBILLFUSA-N 2 2 397.910 3.906 20 0 GHADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(=O)NCc1ccccc1 ZINC000441380661 854166208 /nfs/dbraw/zinc/16/62/08/854166208.db2.gz QVGVRVLBWYVJGB-GOTSBHOMSA-N 2 2 390.531 3.926 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NCC2CCCCC2)c(C)c1 ZINC000441377359 854198284 /nfs/dbraw/zinc/19/82/84/854198284.db2.gz AVVMHFPUXZTSFI-KNQAVFIVSA-N 2 2 382.552 3.916 20 0 GHADLP CC(C)C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000441405713 854201013 /nfs/dbraw/zinc/20/10/13/854201013.db2.gz PWENRCHXWYEZFA-PMVMPFDFSA-N 2 2 383.580 3.839 20 0 GHADLP CC(C)C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000441405713 854201022 /nfs/dbraw/zinc/20/10/22/854201022.db2.gz PWENRCHXWYEZFA-PMVMPFDFSA-N 2 2 383.580 3.839 20 0 GHADLP CC(C)C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000441405713 854201026 /nfs/dbraw/zinc/20/10/26/854201026.db2.gz PWENRCHXWYEZFA-PMVMPFDFSA-N 2 2 383.580 3.839 20 0 GHADLP CC(C)C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000441405713 854201035 /nfs/dbraw/zinc/20/10/35/854201035.db2.gz PWENRCHXWYEZFA-PMVMPFDFSA-N 2 2 383.580 3.839 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000550396216 854450702 /nfs/dbraw/zinc/45/07/02/854450702.db2.gz PKUPUFPCUKJQRB-OALUTQOASA-N 2 2 386.858 3.692 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000550396216 854450714 /nfs/dbraw/zinc/45/07/14/854450714.db2.gz PKUPUFPCUKJQRB-OALUTQOASA-N 2 2 386.858 3.692 20 0 GHADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(COc3ccccc3C(F)(F)F)CC2)n1 ZINC000572364708 854488578 /nfs/dbraw/zinc/48/85/78/854488578.db2.gz OOTZGZXNEORACK-UHFFFAOYSA-N 2 2 398.429 3.573 20 0 GHADLP CC[NH+](CC)CCSCC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000588820878 854507730 /nfs/dbraw/zinc/50/77/30/854507730.db2.gz BFJWHKCBWSETSZ-UHFFFAOYSA-N 2 2 386.565 3.900 20 0 GHADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482013009 862608246 /nfs/dbraw/zinc/60/82/46/862608246.db2.gz FCNZYTNQICCKKY-SFTDATJTSA-N 2 2 399.604 3.873 20 0 GHADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482013009 862608254 /nfs/dbraw/zinc/60/82/54/862608254.db2.gz FCNZYTNQICCKKY-SFTDATJTSA-N 2 2 399.604 3.873 20 0 GHADLP Fc1ccc(Cn2cc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cn2)cc1 ZINC000188981893 854982929 /nfs/dbraw/zinc/98/29/29/854982929.db2.gz OELZKWQXZOEFSP-UHFFFAOYSA-N 2 2 378.495 3.825 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590851751 855615200 /nfs/dbraw/zinc/61/52/00/855615200.db2.gz JUXJNEIRLLOEOB-DENIHFKCSA-N 2 2 395.551 3.804 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590851751 855615209 /nfs/dbraw/zinc/61/52/09/855615209.db2.gz JUXJNEIRLLOEOB-DENIHFKCSA-N 2 2 395.551 3.804 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083138 855752621 /nfs/dbraw/zinc/75/26/21/855752621.db2.gz PJMCWGKMSLXRFW-DENIHFKCSA-N 2 2 388.515 3.814 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083138 855752627 /nfs/dbraw/zinc/75/26/27/855752627.db2.gz PJMCWGKMSLXRFW-DENIHFKCSA-N 2 2 388.515 3.814 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000591429528 855975253 /nfs/dbraw/zinc/97/52/53/855975253.db2.gz IFWIJKFWKNCNFF-DYESRHJHSA-N 2 2 385.577 3.694 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000591429528 855975255 /nfs/dbraw/zinc/97/52/55/855975255.db2.gz IFWIJKFWKNCNFF-DYESRHJHSA-N 2 2 385.577 3.694 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCOc2ccc3c(C)cc(=O)oc3c2)[nH+]1 ZINC001168007672 856103956 /nfs/dbraw/zinc/10/39/56/856103956.db2.gz FWOMIHYJZUBWJA-GOSISDBHSA-N 2 2 393.487 3.760 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CCOc2ccc3c(C)cc(=O)oc3c2)[nH+]1 ZINC001168007672 856103959 /nfs/dbraw/zinc/10/39/59/856103959.db2.gz FWOMIHYJZUBWJA-GOSISDBHSA-N 2 2 393.487 3.760 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168573677 856365911 /nfs/dbraw/zinc/36/59/11/856365911.db2.gz SASINQWOOGFHFS-HUUCEWRRSA-N 2 2 390.450 3.535 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168573677 856365922 /nfs/dbraw/zinc/36/59/22/856365922.db2.gz SASINQWOOGFHFS-HUUCEWRRSA-N 2 2 390.450 3.535 20 0 GHADLP C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000674545384 856393103 /nfs/dbraw/zinc/39/31/03/856393103.db2.gz ZDPHOEDMUXDEAE-UHFFFAOYSA-N 2 2 388.515 3.668 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000427897513 856833449 /nfs/dbraw/zinc/83/34/49/856833449.db2.gz RJCPPSKVMVRMRC-XXBNENTESA-N 2 2 375.520 3.973 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000427897513 856833454 /nfs/dbraw/zinc/83/34/54/856833454.db2.gz RJCPPSKVMVRMRC-XXBNENTESA-N 2 2 375.520 3.973 20 0 GHADLP CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465929893 857048124 /nfs/dbraw/zinc/04/81/24/857048124.db2.gz HTOPJCXNMVVWMR-NHCUHLMSSA-N 2 2 392.632 3.841 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000265786056 857109766 /nfs/dbraw/zinc/10/97/66/857109766.db2.gz IPRCRGCSTZXPFV-HXUWFJFHSA-N 2 2 388.515 3.668 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000265786056 857109773 /nfs/dbraw/zinc/10/97/73/857109773.db2.gz IPRCRGCSTZXPFV-HXUWFJFHSA-N 2 2 388.515 3.668 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000665257466 857179410 /nfs/dbraw/zinc/17/94/10/857179410.db2.gz KHDHLYFTISENSJ-CFCCAZDESA-N 2 2 381.495 3.852 20 0 GHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000057285801 857182163 /nfs/dbraw/zinc/18/21/63/857182163.db2.gz PZOCHJVYAPQCFD-GOSISDBHSA-N 2 2 383.540 3.536 20 0 GHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000057285801 857182168 /nfs/dbraw/zinc/18/21/68/857182168.db2.gz PZOCHJVYAPQCFD-GOSISDBHSA-N 2 2 383.540 3.536 20 0 GHADLP c1ccc(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000060277940 857419038 /nfs/dbraw/zinc/41/90/38/857419038.db2.gz LJTWTIGEZFWXSP-HSZRJFAPSA-N 2 2 378.564 3.548 20 0 GHADLP c1ccc(CCC[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000060277940 857419041 /nfs/dbraw/zinc/41/90/41/857419041.db2.gz LJTWTIGEZFWXSP-HSZRJFAPSA-N 2 2 378.564 3.548 20 0 GHADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000060335606 857425432 /nfs/dbraw/zinc/42/54/32/857425432.db2.gz FFDIHKJKUDKMHI-MSOLQXFVSA-N 2 2 381.923 3.607 20 0 GHADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000060335606 857425438 /nfs/dbraw/zinc/42/54/38/857425438.db2.gz FFDIHKJKUDKMHI-MSOLQXFVSA-N 2 2 381.923 3.607 20 0 GHADLP COc1cc(Br)c(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000520950646 857428871 /nfs/dbraw/zinc/42/88/71/857428871.db2.gz ANRVXHDCDKLYIA-HUUCEWRRSA-N 2 2 399.373 3.924 20 0 GHADLP Cc1ccc(COc2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000520973022 857456949 /nfs/dbraw/zinc/45/69/49/857456949.db2.gz BGMKOWLCXBMTNM-HSZRJFAPSA-N 2 2 382.548 3.756 20 0 GHADLP Cc1ccc(COc2ccc(C[NH2+]C[C@H](O)C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000520973023 857457151 /nfs/dbraw/zinc/45/71/51/857457151.db2.gz BGMKOWLCXBMTNM-QHCPKHFHSA-N 2 2 382.548 3.756 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc2ccccc2c1 ZINC000675499902 857476525 /nfs/dbraw/zinc/47/65/25/857476525.db2.gz SIHYEEFJKGGZIM-OALUTQOASA-N 2 2 388.515 3.623 20 0 GHADLP FC(F)C(F)(F)COCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000469725301 857568791 /nfs/dbraw/zinc/56/87/91/857568791.db2.gz MIXSLINHDKYKEP-ZWKOTPCHSA-N 2 2 388.449 3.890 20 0 GHADLP FC(F)C(F)(F)COCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000469725301 857568802 /nfs/dbraw/zinc/56/88/02/857568802.db2.gz MIXSLINHDKYKEP-ZWKOTPCHSA-N 2 2 388.449 3.890 20 0 GHADLP FC(F)C(F)(F)COCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000469725301 857568814 /nfs/dbraw/zinc/56/88/14/857568814.db2.gz MIXSLINHDKYKEP-ZWKOTPCHSA-N 2 2 388.449 3.890 20 0 GHADLP FC(F)C(F)(F)COCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000469725301 857568832 /nfs/dbraw/zinc/56/88/32/857568832.db2.gz MIXSLINHDKYKEP-ZWKOTPCHSA-N 2 2 388.449 3.890 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000675890547 857650023 /nfs/dbraw/zinc/65/00/23/857650023.db2.gz ODFFKLFAMSDFMY-PZJWPPBQSA-N 2 2 389.503 3.853 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000675890547 857650027 /nfs/dbraw/zinc/65/00/27/857650027.db2.gz ODFFKLFAMSDFMY-PZJWPPBQSA-N 2 2 389.503 3.853 20 0 GHADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675921111 857665960 /nfs/dbraw/zinc/66/59/60/857665960.db2.gz VLSMXOXQBMAAPQ-RXVVDRJESA-N 2 2 376.504 3.735 20 0 GHADLP COc1ccc(C[C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1OC ZINC000675920289 857666258 /nfs/dbraw/zinc/66/62/58/857666258.db2.gz JVIKGJWPNBYCGY-XLIONFOSSA-N 2 2 379.504 3.942 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccc4[nH]c(=O)oc4c3)CC2)c1 ZINC000671740728 857744972 /nfs/dbraw/zinc/74/49/72/857744972.db2.gz RMORCPSJJWDFCG-SFHVURJKSA-N 2 2 394.519 3.705 20 0 GHADLP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000428258052 858083215 /nfs/dbraw/zinc/08/32/15/858083215.db2.gz CUQZWSRJCRLPFS-SFHVURJKSA-N 2 2 392.469 3.868 20 0 GHADLP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000428258052 858083227 /nfs/dbraw/zinc/08/32/27/858083227.db2.gz CUQZWSRJCRLPFS-SFHVURJKSA-N 2 2 392.469 3.868 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)C(C)(C)c1ccccc1 ZINC000181772083 863008426 /nfs/dbraw/zinc/00/84/26/863008426.db2.gz WXDKHCQIBLXBBV-MRXNPFEDSA-N 2 2 386.565 3.633 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cn2)[C@H](C)C1 ZINC000575107250 858589210 /nfs/dbraw/zinc/58/92/10/858589210.db2.gz YWRVIUIYDCYORU-INMHGKMJSA-N 2 2 384.362 3.632 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cn2)[C@H](C)C1 ZINC000575107250 858589212 /nfs/dbraw/zinc/58/92/12/858589212.db2.gz YWRVIUIYDCYORU-INMHGKMJSA-N 2 2 384.362 3.632 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(SC2CCCC2)cc1 ZINC000482641901 858715152 /nfs/dbraw/zinc/71/51/52/858715152.db2.gz LLWIIFCXDBQUNE-JXFKEZNVSA-N 2 2 375.582 3.712 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(SC2CCCC2)cc1 ZINC000482641901 858715159 /nfs/dbraw/zinc/71/51/59/858715159.db2.gz LLWIIFCXDBQUNE-JXFKEZNVSA-N 2 2 375.582 3.712 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(SC2CCCC2)cc1 ZINC000482641904 858716132 /nfs/dbraw/zinc/71/61/32/858716132.db2.gz LLWIIFCXDBQUNE-UZLBHIALSA-N 2 2 375.582 3.712 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(SC2CCCC2)cc1 ZINC000482641904 858716145 /nfs/dbraw/zinc/71/61/45/858716145.db2.gz LLWIIFCXDBQUNE-UZLBHIALSA-N 2 2 375.582 3.712 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001168020346 858816229 /nfs/dbraw/zinc/81/62/29/858816229.db2.gz MHWCUEPKZVACOJ-QZTJIDSGSA-N 2 2 381.520 3.790 20 0 GHADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000522207028 858819510 /nfs/dbraw/zinc/81/95/10/858819510.db2.gz LHFASPXLFITPSE-SFTDATJTSA-N 2 2 397.588 3.838 20 0 GHADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000522207028 858819521 /nfs/dbraw/zinc/81/95/21/858819521.db2.gz LHFASPXLFITPSE-SFTDATJTSA-N 2 2 397.588 3.838 20 0 GHADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000522207028 858819536 /nfs/dbraw/zinc/81/95/36/858819536.db2.gz LHFASPXLFITPSE-SFTDATJTSA-N 2 2 397.588 3.838 20 0 GHADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000522207028 858819546 /nfs/dbraw/zinc/81/95/46/858819546.db2.gz LHFASPXLFITPSE-SFTDATJTSA-N 2 2 397.588 3.838 20 0 GHADLP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)c(-c2ccccc2)cc1OC ZINC000922950329 858886463 /nfs/dbraw/zinc/88/64/63/858886463.db2.gz IFWWBAWFBSPKMT-NRFANRHFSA-N 2 2 396.531 3.714 20 0 GHADLP COc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)c(-c2ccccc2)cc1OC ZINC000922950329 858886466 /nfs/dbraw/zinc/88/64/66/858886466.db2.gz IFWWBAWFBSPKMT-NRFANRHFSA-N 2 2 396.531 3.714 20 0 GHADLP COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000625795846 858922771 /nfs/dbraw/zinc/92/27/71/858922771.db2.gz ZUPZYZGDVFTUTD-KRWDZBQOSA-N 2 2 378.314 3.961 20 0 GHADLP COc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000625795846 858922777 /nfs/dbraw/zinc/92/27/77/858922777.db2.gz ZUPZYZGDVFTUTD-KRWDZBQOSA-N 2 2 378.314 3.961 20 0 GHADLP OCCC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCc2ccccc21 ZINC000429686609 859005453 /nfs/dbraw/zinc/00/54/53/859005453.db2.gz SKNLSSIRDNUNNT-ILBGXUMGSA-N 2 2 394.559 3.649 20 0 GHADLP OCCC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCc2ccccc21 ZINC000429686609 859005462 /nfs/dbraw/zinc/00/54/62/859005462.db2.gz SKNLSSIRDNUNNT-ILBGXUMGSA-N 2 2 394.559 3.649 20 0 GHADLP OCCC[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCc2ccccc21 ZINC000429686609 859005467 /nfs/dbraw/zinc/00/54/67/859005467.db2.gz SKNLSSIRDNUNNT-ILBGXUMGSA-N 2 2 394.559 3.649 20 0 GHADLP OCCC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCc2ccccc21 ZINC000429686609 859005474 /nfs/dbraw/zinc/00/54/74/859005474.db2.gz SKNLSSIRDNUNNT-ILBGXUMGSA-N 2 2 394.559 3.649 20 0 GHADLP OCCC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCc2ccccc21 ZINC000429686611 859005936 /nfs/dbraw/zinc/00/59/36/859005936.db2.gz SKNLSSIRDNUNNT-NOZRDPDXSA-N 2 2 394.559 3.649 20 0 GHADLP OCCC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCc2ccccc21 ZINC000429686611 859005945 /nfs/dbraw/zinc/00/59/45/859005945.db2.gz SKNLSSIRDNUNNT-NOZRDPDXSA-N 2 2 394.559 3.649 20 0 GHADLP OCCC[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCc2ccccc21 ZINC000429686611 859005954 /nfs/dbraw/zinc/00/59/54/859005954.db2.gz SKNLSSIRDNUNNT-NOZRDPDXSA-N 2 2 394.559 3.649 20 0 GHADLP OCCC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCc2ccccc21 ZINC000429686611 859005968 /nfs/dbraw/zinc/00/59/68/859005968.db2.gz SKNLSSIRDNUNNT-NOZRDPDXSA-N 2 2 394.559 3.649 20 0 GHADLP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000194866682 859323862 /nfs/dbraw/zinc/32/38/62/859323862.db2.gz OFMNYTLBNQCWNO-QHCPKHFHSA-N 2 2 396.531 3.573 20 0 GHADLP C[C@H](NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000764462459 859457685 /nfs/dbraw/zinc/45/76/85/859457685.db2.gz JVPJFUDMKORERE-ILWGZMRPSA-N 2 2 399.604 3.764 20 0 GHADLP C[C@H](NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000764462459 859457689 /nfs/dbraw/zinc/45/76/89/859457689.db2.gz JVPJFUDMKORERE-ILWGZMRPSA-N 2 2 399.604 3.764 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000895448672 859493347 /nfs/dbraw/zinc/49/33/47/859493347.db2.gz JNNUJFORYHIWMI-GOSISDBHSA-N 2 2 399.560 3.712 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000895448672 859493353 /nfs/dbraw/zinc/49/33/53/859493353.db2.gz JNNUJFORYHIWMI-GOSISDBHSA-N 2 2 399.560 3.712 20 0 GHADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000483623784 859496307 /nfs/dbraw/zinc/49/63/07/859496307.db2.gz MTDWFLZUXGWCAP-BVYCBKJFSA-N 2 2 395.551 3.675 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191835948 859515086 /nfs/dbraw/zinc/51/50/86/859515086.db2.gz POLGSHPKQYBXIB-NQIIRXRSSA-N 2 2 384.520 3.646 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191835948 859515091 /nfs/dbraw/zinc/51/50/91/859515091.db2.gz POLGSHPKQYBXIB-NQIIRXRSSA-N 2 2 384.520 3.646 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000483955921 859711528 /nfs/dbraw/zinc/71/15/28/859711528.db2.gz FIIHTDLQISZSTN-NHCUHLMSSA-N 3 2 396.579 3.892 20 0 GHADLP C[N@H+](CCOc1ccc(Cl)c(F)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000483992557 859753693 /nfs/dbraw/zinc/75/36/93/859753693.db2.gz IQVYOYZHZGUUOE-JXFKEZNVSA-N 2 2 377.891 3.878 20 0 GHADLP C[N@@H+](CCOc1ccc(Cl)c(F)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000483992557 859753695 /nfs/dbraw/zinc/75/36/95/859753695.db2.gz IQVYOYZHZGUUOE-JXFKEZNVSA-N 2 2 377.891 3.878 20 0 GHADLP C[NH+](CCOc1ccc(Cl)c(F)c1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000483992557 859753706 /nfs/dbraw/zinc/75/37/06/859753706.db2.gz IQVYOYZHZGUUOE-JXFKEZNVSA-N 2 2 377.891 3.878 20 0 GHADLP C[NH+](CCOc1ccc(Cl)c(F)c1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000483992557 859753714 /nfs/dbraw/zinc/75/37/14/859753714.db2.gz IQVYOYZHZGUUOE-JXFKEZNVSA-N 2 2 377.891 3.878 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000484017446 859767218 /nfs/dbraw/zinc/76/72/18/859767218.db2.gz WBAHWVKJCNSVCI-MGPUTAFESA-N 2 2 377.891 3.753 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000484017446 859767229 /nfs/dbraw/zinc/76/72/29/859767229.db2.gz WBAHWVKJCNSVCI-MGPUTAFESA-N 2 2 377.891 3.753 20 0 GHADLP C[C@H](CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)C1CC[NH2+]CC1 ZINC000163450199 859827981 /nfs/dbraw/zinc/82/79/81/859827981.db2.gz GGJLALITSJJVFD-MRXNPFEDSA-N 2 2 398.576 3.666 20 0 GHADLP C[C@H](CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)C1CC[NH2+]CC1 ZINC000163450199 859827988 /nfs/dbraw/zinc/82/79/88/859827988.db2.gz GGJLALITSJJVFD-MRXNPFEDSA-N 2 2 398.576 3.666 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cnc2ccsc2c1 ZINC000484153347 859849103 /nfs/dbraw/zinc/84/91/03/859849103.db2.gz AHEJCXNLAZLMPL-FFZOFVMBSA-N 2 2 381.545 3.830 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cnc2ccsc2c1 ZINC000484153347 859849109 /nfs/dbraw/zinc/84/91/09/859849109.db2.gz AHEJCXNLAZLMPL-FFZOFVMBSA-N 2 2 381.545 3.830 20 0 GHADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000484161554 859855107 /nfs/dbraw/zinc/85/51/07/859855107.db2.gz NCOKXAKVJLFJJJ-VGOFRKELSA-N 2 2 390.474 3.884 20 0 GHADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000484161554 859855117 /nfs/dbraw/zinc/85/51/17/859855117.db2.gz NCOKXAKVJLFJJJ-VGOFRKELSA-N 2 2 390.474 3.884 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765250434 859866136 /nfs/dbraw/zinc/86/61/36/859866136.db2.gz MEPSVGCFMSPKOI-QFBILLFUSA-N 2 2 390.959 3.978 20 0 GHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765252075 859867049 /nfs/dbraw/zinc/86/70/49/859867049.db2.gz QCUFEZUCSIXNKN-CZUORRHYSA-N 2 2 385.480 3.645 20 0 GHADLP COc1ccc([C@H](CNc2cc[nH+]c3cc(OC)ccc23)[NH+]2CCOCC2)cc1 ZINC000765451661 859980422 /nfs/dbraw/zinc/98/04/22/859980422.db2.gz CSZLWRROSRAKQJ-QHCPKHFHSA-N 2 2 393.487 3.737 20 0 GHADLP Cc1cc(C)c(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC001127906756 860239700 /nfs/dbraw/zinc/23/97/00/860239700.db2.gz VHRRKTXYUROREL-ZEQRLZLVSA-N 2 2 399.623 3.950 20 0 GHADLP Cc1cc(C)c(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC001127906756 860239710 /nfs/dbraw/zinc/23/97/10/860239710.db2.gz VHRRKTXYUROREL-ZEQRLZLVSA-N 2 2 399.623 3.950 20 0 GHADLP C[C@@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@@H]1CCC[NH3+] ZINC000904278106 860306977 /nfs/dbraw/zinc/30/69/77/860306977.db2.gz DRYCGTNZIAWGCO-NVXWUHKLSA-N 2 2 379.574 3.500 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000532230594 881556391 /nfs/dbraw/zinc/55/63/91/881556391.db2.gz AXHFIXMZMFMBMI-ZBFHGGJFSA-N 2 2 399.457 3.909 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000532230594 881556395 /nfs/dbraw/zinc/55/63/95/881556395.db2.gz AXHFIXMZMFMBMI-ZBFHGGJFSA-N 2 2 399.457 3.909 20 0 GHADLP C[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1c(Cl)cccc1Cl ZINC000625209000 861167497 /nfs/dbraw/zinc/16/74/97/861167497.db2.gz HDLLPUXWDWDMJJ-AWEZNQCLSA-N 2 2 398.378 3.772 20 0 GHADLP O=C1[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000329229478 861170319 /nfs/dbraw/zinc/17/03/19/861170319.db2.gz CQVREWWPOWVAJK-MRXNPFEDSA-N 2 2 379.291 3.701 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000143079275 863087150 /nfs/dbraw/zinc/08/71/50/863087150.db2.gz AHFKGBVYQHREDU-SFHVURJKSA-N 2 2 377.366 3.594 20 0 GHADLP CCSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000182130141 863130661 /nfs/dbraw/zinc/13/06/61/863130661.db2.gz CUGYLCFXTOWFCN-QZTJIDSGSA-N 2 2 398.576 3.582 20 0 GHADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000182662288 863319445 /nfs/dbraw/zinc/31/94/45/863319445.db2.gz YWDMYXYBKFPAJY-QFIPXVFZSA-N 2 2 384.495 3.704 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cncc(F)c1 ZINC000482627683 863400916 /nfs/dbraw/zinc/40/09/16/863400916.db2.gz HFFVUUJQGDJBLM-INIZCTEOSA-N 2 2 376.907 3.737 20 0 GHADLP C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120656244 881657307 /nfs/dbraw/zinc/65/73/07/881657307.db2.gz HDPHCYBALGFFKY-WMZHIEFXSA-N 2 2 376.504 3.596 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606583359 863731496 /nfs/dbraw/zinc/73/14/96/863731496.db2.gz YGOSBSFGBDOAFL-KRWDZBQOSA-N 2 2 377.492 3.888 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606583359 863731505 /nfs/dbraw/zinc/73/15/05/863731505.db2.gz YGOSBSFGBDOAFL-KRWDZBQOSA-N 2 2 377.492 3.888 20 0 GHADLP C[N@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172806067 864008789 /nfs/dbraw/zinc/00/87/89/864008789.db2.gz MMZJTMOKRVSKMY-QFIPXVFZSA-N 2 2 379.504 3.608 20 0 GHADLP C[N@@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172806067 864008801 /nfs/dbraw/zinc/00/88/01/864008801.db2.gz MMZJTMOKRVSKMY-QFIPXVFZSA-N 2 2 379.504 3.608 20 0 GHADLP Cc1ccc2c(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)csc2c1 ZINC000480119147 864078154 /nfs/dbraw/zinc/07/81/54/864078154.db2.gz RNUBLNSFIXOBBT-UHFFFAOYSA-N 2 2 385.577 3.890 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc(OC)c1OCc1ccccc1 ZINC000494470971 881768970 /nfs/dbraw/zinc/76/89/70/881768970.db2.gz WBTYYRHITBLFQD-LJQANCHMSA-N 2 2 393.487 3.584 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)COCc2ccccc2F)c(C)c1 ZINC000554643227 864648950 /nfs/dbraw/zinc/64/89/50/864648950.db2.gz WWHSLTLAPWURAO-REWPJTCUSA-N 2 2 397.494 3.548 20 0 GHADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000165994561 864706951 /nfs/dbraw/zinc/70/69/51/864706951.db2.gz SSGIKDMCIOUUCG-RXVVDRJESA-N 2 2 384.520 3.818 20 0 GHADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000165994561 864706959 /nfs/dbraw/zinc/70/69/59/864706959.db2.gz SSGIKDMCIOUUCG-RXVVDRJESA-N 2 2 384.520 3.818 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(CCCc1ccccc1)CC[NH+](C)C)C2 ZINC000475318660 864747980 /nfs/dbraw/zinc/74/79/80/864747980.db2.gz QYZNIWODLARWMN-FQEVSTJZSA-N 2 2 396.579 3.661 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(CCCc1ccccc1)CC[NH+](C)C)CC2 ZINC000475318660 864747987 /nfs/dbraw/zinc/74/79/87/864747987.db2.gz QYZNIWODLARWMN-FQEVSTJZSA-N 2 2 396.579 3.661 20 0 GHADLP Cc1c([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)nnn1-c1ccc(F)cc1 ZINC000120926852 881803879 /nfs/dbraw/zinc/80/38/79/881803879.db2.gz ZTMCNGVHQYWNBA-AWEZNQCLSA-N 2 2 385.462 3.766 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccccc3F)s2)C1 ZINC000554820632 864955070 /nfs/dbraw/zinc/95/50/70/864955070.db2.gz SPRYUCFBVSGKHS-CVEARBPZSA-N 2 2 392.544 3.838 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccccc3F)s2)C1 ZINC000554820632 864955080 /nfs/dbraw/zinc/95/50/80/864955080.db2.gz SPRYUCFBVSGKHS-CVEARBPZSA-N 2 2 392.544 3.838 20 0 GHADLP COc1cc2c(c(C[NH2+][C@@H](Cc3[nH+]ccn3C)c3ccccc3)c1)O[C@H](C)C2 ZINC000608074486 864964898 /nfs/dbraw/zinc/96/48/98/864964898.db2.gz SMOUFPBVXWTHOZ-IERDGZPVSA-N 2 2 377.488 3.826 20 0 GHADLP Cc1ccc(N2CC[NH+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)CC2)nc1 ZINC001168064959 865047833 /nfs/dbraw/zinc/04/78/33/865047833.db2.gz SUQBBQKJDAKWCV-SFTDATJTSA-N 2 2 378.564 3.954 20 0 GHADLP C[NH+](C)C1CC[NH+](CCNc2ccc3cc(Br)c(F)cc3n2)CC1 ZINC000301542914 865413708 /nfs/dbraw/zinc/41/37/08/865413708.db2.gz KIBKCLSKWGQFBV-UHFFFAOYSA-N 2 2 395.320 3.574 20 0 GHADLP C[NH+](C)C1CC[NH+](CCNc2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000301577605 865436415 /nfs/dbraw/zinc/43/64/15/865436415.db2.gz ZFMQDZRJHWKBKF-UHFFFAOYSA-N 2 2 381.549 3.796 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000301649766 865477133 /nfs/dbraw/zinc/47/71/33/865477133.db2.gz FRJNMJINIPXGCO-KRWDZBQOSA-N 2 2 397.519 3.875 20 0 GHADLP [NH3+]Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000667817319 865820998 /nfs/dbraw/zinc/82/09/98/865820998.db2.gz FWTWYKNFRHGTEY-UHFFFAOYSA-N 2 2 392.425 3.514 20 0 GHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000121099252 881920708 /nfs/dbraw/zinc/92/07/08/881920708.db2.gz KLCTWLIPNDOCNM-QHCPKHFHSA-N 2 2 388.515 3.602 20 0 GHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000121099252 881920722 /nfs/dbraw/zinc/92/07/22/881920722.db2.gz KLCTWLIPNDOCNM-QHCPKHFHSA-N 2 2 388.515 3.602 20 0 GHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000121099086 881921152 /nfs/dbraw/zinc/92/11/52/881921152.db2.gz KLCTWLIPNDOCNM-HSZRJFAPSA-N 2 2 388.515 3.602 20 0 GHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000121099086 881921164 /nfs/dbraw/zinc/92/11/64/881921164.db2.gz KLCTWLIPNDOCNM-HSZRJFAPSA-N 2 2 388.515 3.602 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000481183346 865946550 /nfs/dbraw/zinc/94/65/50/865946550.db2.gz ROUQCDQLSKNWND-QRWLVFNGSA-N 2 2 389.902 3.918 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000481183346 865946559 /nfs/dbraw/zinc/94/65/59/865946559.db2.gz ROUQCDQLSKNWND-QRWLVFNGSA-N 2 2 389.902 3.918 20 0 GHADLP CCOC1CC(CNc2cc[nH+]c3cc(Cl)ccc23)([NH+]2CCOCC2)C1 ZINC000302834330 865947684 /nfs/dbraw/zinc/94/76/84/865947684.db2.gz TVXOIIIHFZJLKY-UHFFFAOYSA-N 2 2 375.900 3.570 20 0 GHADLP CC(C)[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C(C)(C)C)cc1 ZINC000671296457 866014269 /nfs/dbraw/zinc/01/42/69/866014269.db2.gz CXZMSHOYZNMNJB-GOTSBHOMSA-N 2 2 387.612 3.677 20 0 GHADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534125887 866158364 /nfs/dbraw/zinc/15/83/64/866158364.db2.gz FGNXJGQCXDZZGU-INIZCTEOSA-N 2 2 386.927 3.831 20 0 GHADLP COc1ccccc1[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N(C)C ZINC000153290115 866326927 /nfs/dbraw/zinc/32/69/27/866326927.db2.gz WGKQYBJUCFJHFG-QHCPKHFHSA-N 2 2 381.564 3.595 20 0 GHADLP COc1ccccc1[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)[NH+](C)C ZINC000153290115 866326948 /nfs/dbraw/zinc/32/69/48/866326948.db2.gz WGKQYBJUCFJHFG-QHCPKHFHSA-N 2 2 381.564 3.595 20 0 GHADLP Cc1cc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)sc1Br ZINC000121213506 881972199 /nfs/dbraw/zinc/97/21/99/881972199.db2.gz GNBZSIKKHKMEIG-UHFFFAOYSA-N 2 2 397.386 3.612 20 0 GHADLP Cc1cc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)sc1Br ZINC000121213506 881972211 /nfs/dbraw/zinc/97/22/11/881972211.db2.gz GNBZSIKKHKMEIG-UHFFFAOYSA-N 2 2 397.386 3.612 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000552879757 866420372 /nfs/dbraw/zinc/42/03/72/866420372.db2.gz DVQOVHNHLBMCRA-RXVVDRJESA-N 2 2 381.520 3.667 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000552879757 866420377 /nfs/dbraw/zinc/42/03/77/866420377.db2.gz DVQOVHNHLBMCRA-RXVVDRJESA-N 2 2 381.520 3.667 20 0 GHADLP CN(C(=O)C1CCC(C)(C)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359243 866642389 /nfs/dbraw/zinc/64/23/89/866642389.db2.gz NQFDWDFOVJPGEL-RTWAWAEBSA-N 2 2 377.617 3.998 20 0 GHADLP CN(C(=O)C1CCC(C)(C)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359243 866642398 /nfs/dbraw/zinc/64/23/98/866642398.db2.gz NQFDWDFOVJPGEL-RTWAWAEBSA-N 2 2 377.617 3.998 20 0 GHADLP CCCCOC(=O)[C@@H](C)[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000741796067 866801860 /nfs/dbraw/zinc/80/18/60/866801860.db2.gz RPQZONRNDAJRJN-GOSISDBHSA-N 2 2 390.572 3.931 20 0 GHADLP CCCCOC(=O)[C@@H](C)[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000741796067 866801879 /nfs/dbraw/zinc/80/18/79/866801879.db2.gz RPQZONRNDAJRJN-GOSISDBHSA-N 2 2 390.572 3.931 20 0 GHADLP COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189898343 882036319 /nfs/dbraw/zinc/03/63/19/882036319.db2.gz GRQWMYMIFXARMG-KRWDZBQOSA-N 2 2 390.487 3.511 20 0 GHADLP CC(C)c1ccc2cc(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)[nH]c2c1 ZINC000742133762 867069156 /nfs/dbraw/zinc/06/91/56/867069156.db2.gz AKRKZRGSQLCUQO-UHFFFAOYSA-N 2 2 396.579 3.971 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000479284734 867482844 /nfs/dbraw/zinc/48/28/44/867482844.db2.gz QDMHLEMPYAWMPY-HNNXBMFYSA-N 2 2 383.374 3.859 20 0 GHADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534861769 867661573 /nfs/dbraw/zinc/66/15/73/867661573.db2.gz AOSVSFMOXKMIHM-AEFFLSMTSA-N 2 2 384.549 3.772 20 0 GHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534862190 867663093 /nfs/dbraw/zinc/66/30/93/867663093.db2.gz HOEWEMJAGKHUGT-UHFFFAOYSA-N 2 2 380.536 3.705 20 0 GHADLP O=C(CCn1cc[nH+]c1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457197224 867875215 /nfs/dbraw/zinc/87/52/15/867875215.db2.gz UTMSKJNPRFBSQH-QHCPKHFHSA-N 2 2 394.563 3.957 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(F)c1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000553913588 868454546 /nfs/dbraw/zinc/45/45/46/868454546.db2.gz NFSNRHQWGMUNIA-INIZCTEOSA-N 2 2 399.514 3.580 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2occc2-c2ccc(F)cc2)([NH+]2CCCCC2)CC1 ZINC000156784663 868464009 /nfs/dbraw/zinc/46/40/09/868464009.db2.gz DUBLYIUIFXAIFY-UHFFFAOYSA-N 2 2 399.510 3.766 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000503263847 868582455 /nfs/dbraw/zinc/58/24/55/868582455.db2.gz ODCHTURHFZIOCK-QHCPKHFHSA-N 2 2 384.483 3.874 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+][C@H]3CCCCC3(C)C)n2)CC1 ZINC000428436311 869532485 /nfs/dbraw/zinc/53/24/85/869532485.db2.gz PULZMECVSHUERP-KRWDZBQOSA-N 2 2 378.586 3.872 20 0 GHADLP CC(C)[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000539658763 869547068 /nfs/dbraw/zinc/54/70/68/869547068.db2.gz HDLZBTSWCYYDDX-UTKZUKDTSA-N 2 2 395.507 3.878 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2c[nH]cc2-c2ccc(F)cc2)([NH+]2CCCCC2)CC1 ZINC000172850885 882313884 /nfs/dbraw/zinc/31/38/84/882313884.db2.gz KXDVDSJUBKYBJZ-UHFFFAOYSA-N 2 2 398.526 3.501 20 0 GHADLP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000539787418 869770941 /nfs/dbraw/zinc/77/09/41/869770941.db2.gz VIWIGYAMRVATIV-UHFFFAOYSA-N 2 2 389.503 3.573 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1OCc1cccnc1 ZINC000539850920 869891023 /nfs/dbraw/zinc/89/10/23/869891023.db2.gz MLQDZLUSXYVJTQ-QFIPXVFZSA-N 2 2 395.547 3.833 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1OCc1cccnc1 ZINC000539850920 869891037 /nfs/dbraw/zinc/89/10/37/869891037.db2.gz MLQDZLUSXYVJTQ-QFIPXVFZSA-N 2 2 395.547 3.833 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1OCc1cccnc1 ZINC000539850920 869891054 /nfs/dbraw/zinc/89/10/54/869891054.db2.gz MLQDZLUSXYVJTQ-QFIPXVFZSA-N 2 2 395.547 3.833 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1OCc1cccnc1 ZINC000539850920 869891071 /nfs/dbraw/zinc/89/10/71/869891071.db2.gz MLQDZLUSXYVJTQ-QFIPXVFZSA-N 2 2 395.547 3.833 20 0 GHADLP C[C@@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000525061457 869962462 /nfs/dbraw/zinc/96/24/62/869962462.db2.gz HNQFNKDJOYFKMN-INIZCTEOSA-N 2 2 399.501 3.683 20 0 GHADLP C[C@@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000525061457 869962468 /nfs/dbraw/zinc/96/24/68/869962468.db2.gz HNQFNKDJOYFKMN-INIZCTEOSA-N 2 2 399.501 3.683 20 0 GHADLP Cc1cc(C)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C=O ZINC000793725435 882377943 /nfs/dbraw/zinc/37/79/43/882377943.db2.gz GQRWYOMWKFSDNB-GOTSBHOMSA-N 2 2 399.579 3.525 20 0 GHADLP Cc1cc(C)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C=O ZINC000793725435 882377958 /nfs/dbraw/zinc/37/79/58/882377958.db2.gz GQRWYOMWKFSDNB-GOTSBHOMSA-N 2 2 399.579 3.525 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000185201474 870205019 /nfs/dbraw/zinc/20/50/19/870205019.db2.gz SFFQRCGRNOLHLO-SFHVURJKSA-N 2 2 378.442 3.531 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1csc(Cl)c1 ZINC000191229765 882392927 /nfs/dbraw/zinc/39/29/27/882392927.db2.gz QYEPANZXNDLMEQ-HNNXBMFYSA-N 2 2 380.941 3.963 20 0 GHADLP CN(c1ccccc1C[NH2+]CCCCNc1cccc[nH+]1)C1CC[NH+](C)CC1 ZINC000133767627 882413258 /nfs/dbraw/zinc/41/32/58/882413258.db2.gz DTSRVKQOWSQJOF-UHFFFAOYSA-N 3 2 381.568 3.594 20 0 GHADLP COc1cc(Cl)c(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1Cl ZINC000538724003 870516442 /nfs/dbraw/zinc/51/64/42/870516442.db2.gz LETFOJJEPKSUDI-INIZCTEOSA-N 2 2 386.367 3.602 20 0 GHADLP COc1cc(Cl)c(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1Cl ZINC000538724003 870516449 /nfs/dbraw/zinc/51/64/49/870516449.db2.gz LETFOJJEPKSUDI-INIZCTEOSA-N 2 2 386.367 3.602 20 0 GHADLP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2c(C)cccc2Cl)CC1 ZINC000122109144 882419651 /nfs/dbraw/zinc/41/96/51/882419651.db2.gz VTKVIWMPMUGYPL-UHFFFAOYSA-N 2 2 395.975 3.657 20 0 GHADLP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2c(C)cccc2Cl)CC1 ZINC000122109144 882419654 /nfs/dbraw/zinc/41/96/54/882419654.db2.gz VTKVIWMPMUGYPL-UHFFFAOYSA-N 2 2 395.975 3.657 20 0 GHADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000746383528 870591611 /nfs/dbraw/zinc/59/16/11/870591611.db2.gz WXPKHSXQZLCWFQ-HNNXBMFYSA-N 2 2 380.508 3.972 20 0 GHADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000746383528 870591616 /nfs/dbraw/zinc/59/16/16/870591616.db2.gz WXPKHSXQZLCWFQ-HNNXBMFYSA-N 2 2 380.508 3.972 20 0 GHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000746383528 870591619 /nfs/dbraw/zinc/59/16/19/870591619.db2.gz WXPKHSXQZLCWFQ-HNNXBMFYSA-N 2 2 380.508 3.972 20 0 GHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000746383528 870591629 /nfs/dbraw/zinc/59/16/29/870591629.db2.gz WXPKHSXQZLCWFQ-HNNXBMFYSA-N 2 2 380.508 3.972 20 0 GHADLP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCOc3c(F)ccc(F)c32)CC1 ZINC000463028111 870688305 /nfs/dbraw/zinc/68/83/05/870688305.db2.gz JCKKZMRZCQVSPH-LJQANCHMSA-N 2 2 387.474 3.720 20 0 GHADLP Cc1ncn(-c2cc[nH+]c3ccc(Br)cc32)c1CSCC[NH3+] ZINC001168790505 870743786 /nfs/dbraw/zinc/74/37/86/870743786.db2.gz MJVZPBKWSKMUNB-UHFFFAOYSA-N 2 2 377.311 3.683 20 0 GHADLP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000428460067 870772842 /nfs/dbraw/zinc/77/28/42/870772842.db2.gz FMYRQNDCNOIZOB-MBDNFAEBSA-N 2 2 379.552 3.702 20 0 GHADLP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428460067 870772852 /nfs/dbraw/zinc/77/28/52/870772852.db2.gz FMYRQNDCNOIZOB-MBDNFAEBSA-N 2 2 379.552 3.702 20 0 GHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3c(F)cccc3Cl)CC2)C[C@@H](C)O1 ZINC000540244770 870845304 /nfs/dbraw/zinc/84/53/04/870845304.db2.gz GWOIBFURLCGKQJ-HZPDHXFCSA-N 2 2 384.923 3.569 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000540302227 870946590 /nfs/dbraw/zinc/94/65/90/870946590.db2.gz MXRLWYLWQFCSSD-LEWJYISDSA-N 2 2 375.532 3.589 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000540302227 870946603 /nfs/dbraw/zinc/94/66/03/870946603.db2.gz MXRLWYLWQFCSSD-LEWJYISDSA-N 2 2 375.532 3.589 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000429716723 871037025 /nfs/dbraw/zinc/03/70/25/871037025.db2.gz KOOPUCKRJUPOPO-XMMPIXPASA-N 3 2 387.612 3.721 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000429716723 871037041 /nfs/dbraw/zinc/03/70/41/871037041.db2.gz KOOPUCKRJUPOPO-XMMPIXPASA-N 3 2 387.612 3.721 20 0 GHADLP CCCC[NH+](C)CC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429716723 871037058 /nfs/dbraw/zinc/03/70/58/871037058.db2.gz KOOPUCKRJUPOPO-XMMPIXPASA-N 3 2 387.612 3.721 20 0 GHADLP CCCC[NH+](C)CC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429716723 871037075 /nfs/dbraw/zinc/03/70/75/871037075.db2.gz KOOPUCKRJUPOPO-XMMPIXPASA-N 3 2 387.612 3.721 20 0 GHADLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C(=O)N1c1ccccc1 ZINC000463192080 871096885 /nfs/dbraw/zinc/09/68/85/871096885.db2.gz OQEJYCQJKGRPLV-XZYOPWHXSA-N 2 2 377.532 3.823 20 0 GHADLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C(=O)N1c1ccccc1 ZINC000463192080 871096903 /nfs/dbraw/zinc/09/69/03/871096903.db2.gz OQEJYCQJKGRPLV-XZYOPWHXSA-N 2 2 377.532 3.823 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C(=O)N1c1ccccc1 ZINC000463192078 871098258 /nfs/dbraw/zinc/09/82/58/871098258.db2.gz OQEJYCQJKGRPLV-LUBSMZHTSA-N 2 2 377.532 3.823 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C(=O)N1c1ccccc1 ZINC000463192078 871098276 /nfs/dbraw/zinc/09/82/76/871098276.db2.gz OQEJYCQJKGRPLV-LUBSMZHTSA-N 2 2 377.532 3.823 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C(=O)N1c1ccccc1 ZINC000463194949 871104671 /nfs/dbraw/zinc/10/46/71/871104671.db2.gz XIYWPGYXFHEUEF-JPYJTQIMSA-N 2 2 395.522 3.616 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cncc(C(F)(F)F)c2)[C@@H]1c1cnn(C)c1 ZINC000463206805 871137583 /nfs/dbraw/zinc/13/75/83/871137583.db2.gz ZFFYUHLELAFLBU-QFBILLFUSA-N 2 2 395.473 3.739 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cncc(C(F)(F)F)c2)[C@@H]1c1cnn(C)c1 ZINC000463206805 871137593 /nfs/dbraw/zinc/13/75/93/871137593.db2.gz ZFFYUHLELAFLBU-QFBILLFUSA-N 2 2 395.473 3.739 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cncc(C(F)(F)F)c2)[C@@H]1c1cnn(C)c1 ZINC000463206805 871137602 /nfs/dbraw/zinc/13/76/02/871137602.db2.gz ZFFYUHLELAFLBU-QFBILLFUSA-N 2 2 395.473 3.739 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cncc(C(F)(F)F)c2)[C@@H]1c1cnn(C)c1 ZINC000463206805 871137606 /nfs/dbraw/zinc/13/76/06/871137606.db2.gz ZFFYUHLELAFLBU-QFBILLFUSA-N 2 2 395.473 3.739 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463260311 871279330 /nfs/dbraw/zinc/27/93/30/871279330.db2.gz CEPIBEWWYCPMAJ-MAODMQOUSA-N 2 2 385.939 3.899 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000463260311 871279344 /nfs/dbraw/zinc/27/93/44/871279344.db2.gz CEPIBEWWYCPMAJ-MAODMQOUSA-N 2 2 385.939 3.899 20 0 GHADLP O=C(Nc1ccccc1)C1([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000463279574 871317807 /nfs/dbraw/zinc/31/78/07/871317807.db2.gz ZZSAXQFTCWZOLJ-UHFFFAOYSA-N 2 2 381.495 3.594 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c(Br)c1 ZINC000540598230 871664695 /nfs/dbraw/zinc/66/46/95/871664695.db2.gz BVMXZZPIHOICFC-CYBMUJFWSA-N 2 2 378.314 3.884 20 0 GHADLP CCOC(=O)N1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001169702293 871785765 /nfs/dbraw/zinc/78/57/65/871785765.db2.gz AXSFLSLBAJRNCK-FQEVSTJZSA-N 2 2 391.531 3.733 20 0 GHADLP CCOC(=O)N1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001169702293 871785777 /nfs/dbraw/zinc/78/57/77/871785777.db2.gz AXSFLSLBAJRNCK-FQEVSTJZSA-N 2 2 391.531 3.733 20 0 GHADLP [NH3+]C1(c2ccccc2Cl)CC[NH+]([C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169753059 871823655 /nfs/dbraw/zinc/82/36/55/871823655.db2.gz YEBUXCBEOOTPPI-IBGZPJMESA-N 2 2 397.950 3.895 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(N2CCCC2=O)c1 ZINC000540757539 872070340 /nfs/dbraw/zinc/07/03/40/872070340.db2.gz XKHOYPPLDVFCOK-UWJYYQICSA-N 2 2 393.535 3.522 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(C)c1 ZINC000775627057 872084474 /nfs/dbraw/zinc/08/44/74/872084474.db2.gz FZOONNUHWCYNKP-UYAOXDASSA-N 2 2 384.524 3.840 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c(C)c1 ZINC000775627046 872085853 /nfs/dbraw/zinc/08/58/53/872085853.db2.gz FZOONNUHWCYNKP-AZUAARDMSA-N 2 2 384.524 3.840 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(OCc2cccnc2)c1 ZINC000447729399 872173014 /nfs/dbraw/zinc/17/30/14/872173014.db2.gz OROZXIGIHAFAJF-FQEVSTJZSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(OCc2cccnc2)c1 ZINC000447729399 872173026 /nfs/dbraw/zinc/17/30/26/872173026.db2.gz OROZXIGIHAFAJF-FQEVSTJZSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(OCc2cccnc2)c1 ZINC000447732488 872219876 /nfs/dbraw/zinc/21/98/76/872219876.db2.gz PMPJBMBJNSIBJD-SIKLNZKXSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(OCc2cccnc2)c1 ZINC000447732488 872219894 /nfs/dbraw/zinc/21/98/94/872219894.db2.gz PMPJBMBJNSIBJD-SIKLNZKXSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(OCc2cccnc2)c1 ZINC000447732488 872219911 /nfs/dbraw/zinc/21/99/11/872219911.db2.gz PMPJBMBJNSIBJD-SIKLNZKXSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(OCc2cccnc2)c1 ZINC000447732488 872219929 /nfs/dbraw/zinc/21/99/29/872219929.db2.gz PMPJBMBJNSIBJD-SIKLNZKXSA-N 2 2 381.520 3.585 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CCCc4c(C)cccc43)CC2)CC1 ZINC000667268894 872245399 /nfs/dbraw/zinc/24/53/99/872245399.db2.gz QNRKVTZOAQAGHN-QHCPKHFHSA-N 2 2 398.595 3.574 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CCCc4c(C)cccc43)CC2)CC1 ZINC000667268894 872245416 /nfs/dbraw/zinc/24/54/16/872245416.db2.gz QNRKVTZOAQAGHN-QHCPKHFHSA-N 2 2 398.595 3.574 20 0 GHADLP CC(C)C(CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000447821776 872322406 /nfs/dbraw/zinc/32/24/06/872322406.db2.gz MPBLVQVNCYNIJR-YADHBBJMSA-N 2 2 394.648 3.893 20 0 GHADLP CC(C)C(CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000447821776 872322414 /nfs/dbraw/zinc/32/24/14/872322414.db2.gz MPBLVQVNCYNIJR-YADHBBJMSA-N 2 2 394.648 3.893 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000093659950 872326439 /nfs/dbraw/zinc/32/64/39/872326439.db2.gz SVZPVWZDODCKOV-OAQYLSRUSA-N 2 2 383.536 3.975 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000093659950 872326447 /nfs/dbraw/zinc/32/64/47/872326447.db2.gz SVZPVWZDODCKOV-OAQYLSRUSA-N 2 2 383.536 3.975 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000093659950 872326456 /nfs/dbraw/zinc/32/64/56/872326456.db2.gz SVZPVWZDODCKOV-OAQYLSRUSA-N 2 2 383.536 3.975 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000093659950 872326469 /nfs/dbraw/zinc/32/64/69/872326469.db2.gz SVZPVWZDODCKOV-OAQYLSRUSA-N 2 2 383.536 3.975 20 0 GHADLP CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@@H]1C ZINC000463687056 872330429 /nfs/dbraw/zinc/33/04/29/872330429.db2.gz YEWNGNFUQBELPX-DLBZAZTESA-N 2 2 381.524 3.833 20 0 GHADLP CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@@H]1C ZINC000463687056 872330444 /nfs/dbraw/zinc/33/04/44/872330444.db2.gz YEWNGNFUQBELPX-DLBZAZTESA-N 2 2 381.524 3.833 20 0 GHADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000478034162 872343394 /nfs/dbraw/zinc/34/33/94/872343394.db2.gz PNHQSTIKSYXKPV-AABGKKOBSA-N 2 2 385.596 3.795 20 0 GHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000478034162 872343417 /nfs/dbraw/zinc/34/34/17/872343417.db2.gz PNHQSTIKSYXKPV-AABGKKOBSA-N 2 2 385.596 3.795 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000478034162 872343437 /nfs/dbraw/zinc/34/34/37/872343437.db2.gz PNHQSTIKSYXKPV-AABGKKOBSA-N 2 2 385.596 3.795 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000478034162 872343450 /nfs/dbraw/zinc/34/34/50/872343450.db2.gz PNHQSTIKSYXKPV-AABGKKOBSA-N 2 2 385.596 3.795 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000093693579 872348198 /nfs/dbraw/zinc/34/81/98/872348198.db2.gz VNILYYBZCUVDID-KRWDZBQOSA-N 2 2 376.495 3.931 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000093693579 872348216 /nfs/dbraw/zinc/34/82/16/872348216.db2.gz VNILYYBZCUVDID-KRWDZBQOSA-N 2 2 376.495 3.931 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1CCC([NH+]3CCC(C)CC3)CC1)C2 ZINC000527002003 872406686 /nfs/dbraw/zinc/40/66/86/872406686.db2.gz DTUNPOZDYNNUPY-VIQWUECVSA-N 2 2 386.584 3.797 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1CCC([NH+]3CCC(C)CC3)CC1)CC2 ZINC000527002003 872406688 /nfs/dbraw/zinc/40/66/88/872406688.db2.gz DTUNPOZDYNNUPY-VIQWUECVSA-N 2 2 386.584 3.797 20 0 GHADLP CC[N@@H+](CC(=O)Nc1cccc(C)c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076109003 882616427 /nfs/dbraw/zinc/61/64/27/882616427.db2.gz RTYXDPQDGGPVCZ-UHFFFAOYSA-N 2 2 380.536 3.875 20 0 GHADLP CC[N@H+](CC(=O)Nc1cccc(C)c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076109003 882616434 /nfs/dbraw/zinc/61/64/34/882616434.db2.gz RTYXDPQDGGPVCZ-UHFFFAOYSA-N 2 2 380.536 3.875 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCc2ccc(Cl)nc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000857904071 882628110 /nfs/dbraw/zinc/62/81/10/882628110.db2.gz AGEXUPIZKMKZAN-KBXCAEBGSA-N 2 2 388.918 3.964 20 0 GHADLP CCCC[NH+]1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000151407108 872828947 /nfs/dbraw/zinc/82/89/47/872828947.db2.gz WUCXSTOYXRCGRX-FCHUYYIVSA-N 2 2 395.551 3.675 20 0 GHADLP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2cc(C(C)(C)C)no2)CC1 ZINC000541090606 872901227 /nfs/dbraw/zinc/90/12/27/872901227.db2.gz UZXOVJQBLAATFH-UHFFFAOYSA-N 2 2 378.561 3.745 20 0 GHADLP CCC(CC)[N@@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CC1 ZINC000794325584 882696864 /nfs/dbraw/zinc/69/68/64/882696864.db2.gz AZGKQLYKJULMDU-UHFFFAOYSA-N 2 2 378.586 3.967 20 0 GHADLP Cc1ccc(F)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1F ZINC000541250791 873241136 /nfs/dbraw/zinc/24/11/36/873241136.db2.gz CWUVNYJMUSKPCF-RTBURBONSA-N 2 2 393.522 3.682 20 0 GHADLP Cc1ccc(F)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1F ZINC000541250791 873241150 /nfs/dbraw/zinc/24/11/50/873241150.db2.gz CWUVNYJMUSKPCF-RTBURBONSA-N 2 2 393.522 3.682 20 0 GHADLP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC001196727641 873323957 /nfs/dbraw/zinc/32/39/57/873323957.db2.gz ILVSVNMUJOUVJK-GOSISDBHSA-N 2 2 380.960 3.729 20 0 GHADLP O=C(CCc1ccccc1)N1CCC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000541391141 873462508 /nfs/dbraw/zinc/46/25/08/873462508.db2.gz ULEGZTWUSLFOHW-UHFFFAOYSA-N 2 2 394.544 3.647 20 0 GHADLP CN(c1ccccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000527752554 873558393 /nfs/dbraw/zinc/55/83/93/873558393.db2.gz OIIUGEKEOZDSIV-QHCPKHFHSA-N 3 2 384.612 3.714 20 0 GHADLP CN(c1ccccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000527752554 873558402 /nfs/dbraw/zinc/55/84/02/873558402.db2.gz OIIUGEKEOZDSIV-QHCPKHFHSA-N 3 2 384.612 3.714 20 0 GHADLP O=C1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1c1ccc(Cl)cc1F ZINC000527794583 873613034 /nfs/dbraw/zinc/61/30/34/873613034.db2.gz BEVOBHRHKXOXCE-LJQANCHMSA-N 2 2 393.934 3.971 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527807720 873627409 /nfs/dbraw/zinc/62/74/09/873627409.db2.gz IMTGPPSBXIKIIL-GOSISDBHSA-N 2 2 375.944 3.551 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527807720 873627420 /nfs/dbraw/zinc/62/74/20/873627420.db2.gz IMTGPPSBXIKIIL-GOSISDBHSA-N 2 2 375.944 3.551 20 0 GHADLP Cc1cc(-c2noc([C@H](C)[N@@H+]3CCN(c4cc[nH+]cc4)[C@@H](C)C3)n2)ccc1F ZINC001197368623 873778194 /nfs/dbraw/zinc/77/81/94/873778194.db2.gz KGDLBKRAPHZUNM-HOTGVXAUSA-N 2 2 381.455 3.851 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000122901528 882757344 /nfs/dbraw/zinc/75/73/44/882757344.db2.gz ZBSSWZDGGZXQIE-NQIIRXRSSA-N 2 2 395.547 3.631 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000122901528 882757352 /nfs/dbraw/zinc/75/73/52/882757352.db2.gz ZBSSWZDGGZXQIE-NQIIRXRSSA-N 2 2 395.547 3.631 20 0 GHADLP Cc1cc(-c2noc([C@H](C)[N@H+]3CCN(c4cc[nH+]cc4)[C@@H](C)C3)n2)ccc1F ZINC001197368623 873778205 /nfs/dbraw/zinc/77/82/05/873778205.db2.gz KGDLBKRAPHZUNM-HOTGVXAUSA-N 2 2 381.455 3.851 20 0 GHADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1CCC(=O)Nc2ccccc21)c1ccccc1 ZINC000541543465 873801419 /nfs/dbraw/zinc/80/14/19/873801419.db2.gz JVFVFNYUYYYQEU-IFMALSPDSA-N 2 2 381.520 3.759 20 0 GHADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1CCC(=O)Nc2ccccc21)c1ccccc1 ZINC000541543465 873801436 /nfs/dbraw/zinc/80/14/36/873801436.db2.gz JVFVFNYUYYYQEU-IFMALSPDSA-N 2 2 381.520 3.759 20 0 GHADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000541558539 873829321 /nfs/dbraw/zinc/82/93/21/873829321.db2.gz CVGCOOOJGBQKOL-WMLDXEAASA-N 2 2 383.939 3.899 20 0 GHADLP Cc1cc(NC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)n(C2CCC2)n1 ZINC001198017166 874164503 /nfs/dbraw/zinc/16/45/03/874164503.db2.gz GOMOHUVAJOYMGI-UHFFFAOYSA-N 2 2 383.540 3.552 20 0 GHADLP Cc1cc(NC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)n(C2CCC2)n1 ZINC001198017166 874164509 /nfs/dbraw/zinc/16/45/09/874164509.db2.gz GOMOHUVAJOYMGI-UHFFFAOYSA-N 2 2 383.540 3.552 20 0 GHADLP Cc1nc2c(NC(=O)c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)cccn2c1C ZINC001198018378 874165781 /nfs/dbraw/zinc/16/57/81/874165781.db2.gz OPVRSFHSXAXTCF-UHFFFAOYSA-N 2 2 393.535 3.587 20 0 GHADLP Cc1nc2c(NC(=O)c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)cccn2c1C ZINC001198018378 874165787 /nfs/dbraw/zinc/16/57/87/874165787.db2.gz OPVRSFHSXAXTCF-UHFFFAOYSA-N 2 2 393.535 3.587 20 0 GHADLP Cc1ccc(NC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)c2n[nH]cc21 ZINC001198022630 874185265 /nfs/dbraw/zinc/18/52/65/874185265.db2.gz XUVSGUONJCEQQN-UHFFFAOYSA-N 2 2 379.508 3.507 20 0 GHADLP Cc1ccc(NC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)c2n[nH]cc21 ZINC001198022630 874185270 /nfs/dbraw/zinc/18/52/70/874185270.db2.gz XUVSGUONJCEQQN-UHFFFAOYSA-N 2 2 379.508 3.507 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449047063 874414361 /nfs/dbraw/zinc/41/43/61/874414361.db2.gz MSEUMRVOWVGNBY-FSPWUOQZSA-N 2 2 393.503 3.772 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449047063 874414369 /nfs/dbraw/zinc/41/43/69/874414369.db2.gz MSEUMRVOWVGNBY-FSPWUOQZSA-N 2 2 393.503 3.772 20 0 GHADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(=O)N2CCCc3ccccc32)CC1 ZINC000449097512 874467914 /nfs/dbraw/zinc/46/79/14/874467914.db2.gz DVOBNXBNYZNSNX-HXUWFJFHSA-N 2 2 391.559 3.651 20 0 GHADLP CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806530 874559616 /nfs/dbraw/zinc/55/96/16/874559616.db2.gz DLMJHQQUKREJII-UHFFFAOYSA-N 2 2 386.927 3.912 20 0 GHADLP CC[N@H+](CC(=O)Nc1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806530 874559623 /nfs/dbraw/zinc/55/96/23/874559623.db2.gz DLMJHQQUKREJII-UHFFFAOYSA-N 2 2 386.927 3.912 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cnc(-c3ccccc3F)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000449164942 874562416 /nfs/dbraw/zinc/56/24/16/874562416.db2.gz RYRTWHFUFIEFQB-JOCHJYFZSA-N 2 2 397.519 3.676 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cnc(-c3ccccc3F)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000449164942 874562422 /nfs/dbraw/zinc/56/24/22/874562422.db2.gz RYRTWHFUFIEFQB-JOCHJYFZSA-N 2 2 397.519 3.676 20 0 GHADLP C[C@@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000449167581 874563362 /nfs/dbraw/zinc/56/33/62/874563362.db2.gz KLSXOOOPIPQQBZ-DLBZAZTESA-N 2 2 383.517 3.730 20 0 GHADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1ccnn1C1CCCC1)CC2 ZINC000449265349 874681221 /nfs/dbraw/zinc/68/12/21/874681221.db2.gz PPOBQHJSRBXGRQ-LJQANCHMSA-N 2 2 385.581 3.941 20 0 GHADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1ccnn1C1CCCC1)CC2 ZINC000449265349 874681227 /nfs/dbraw/zinc/68/12/27/874681227.db2.gz PPOBQHJSRBXGRQ-LJQANCHMSA-N 2 2 385.581 3.941 20 0 GHADLP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000528586416 874747904 /nfs/dbraw/zinc/74/79/04/874747904.db2.gz WOOPYWDNJREJBY-WCRBZPEASA-N 2 2 375.507 3.851 20 0 GHADLP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000528586416 874747916 /nfs/dbraw/zinc/74/79/16/874747916.db2.gz WOOPYWDNJREJBY-WCRBZPEASA-N 2 2 375.507 3.851 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCOc3ccc(F)c(Cl)c3)sc2C1 ZINC000449401183 874817210 /nfs/dbraw/zinc/81/72/10/874817210.db2.gz LQXDDZIOWDRRDM-UHFFFAOYSA-N 2 2 383.920 3.871 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH2+]CCOc3ccc(F)c(Cl)c3)sc2C1 ZINC000449401183 874817231 /nfs/dbraw/zinc/81/72/31/874817231.db2.gz LQXDDZIOWDRRDM-UHFFFAOYSA-N 2 2 383.920 3.871 20 0 GHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cc(Cl)nc3ccccc23)CC1 ZINC000771309051 875177024 /nfs/dbraw/zinc/17/70/24/875177024.db2.gz FMWRKZGIXFUWIM-ROUUACIJSA-N 2 2 386.971 3.879 20 0 GHADLP Clc1cc(C[NH2+]CCN2CCc3ccccc32)ccc1OCCn1cc[nH+]c1 ZINC001199800856 875193310 /nfs/dbraw/zinc/19/33/10/875193310.db2.gz LNRZDZLKLKAYQS-UHFFFAOYSA-N 2 2 396.922 3.768 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H]3CC[NH+]3C3CCCC3)n2)C1 ZINC000528879041 875206656 /nfs/dbraw/zinc/20/66/56/875206656.db2.gz VIJJRXFEULGFAA-QAPCUYQASA-N 2 2 391.585 3.513 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H]3CC[NH+]3C3CCCC3)n2)C1 ZINC000528879041 875206667 /nfs/dbraw/zinc/20/66/67/875206667.db2.gz VIJJRXFEULGFAA-QAPCUYQASA-N 2 2 391.585 3.513 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)n2)C1 ZINC000528879041 875206675 /nfs/dbraw/zinc/20/66/75/875206675.db2.gz VIJJRXFEULGFAA-QAPCUYQASA-N 2 2 391.585 3.513 20 0 GHADLP Clc1cccc([C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)c1 ZINC000105486122 875310896 /nfs/dbraw/zinc/31/08/96/875310896.db2.gz HQFJBGYJKGVPNP-JOCHJYFZSA-N 2 2 396.922 3.689 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000771762173 875469267 /nfs/dbraw/zinc/46/92/67/875469267.db2.gz VVKFKMUUQCCPBE-NHCUHLMSSA-N 2 2 387.474 3.521 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000771762173 875469269 /nfs/dbraw/zinc/46/92/69/875469269.db2.gz VVKFKMUUQCCPBE-NHCUHLMSSA-N 2 2 387.474 3.521 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)OCCn1cc[nH+]c1C)c1cccc(C(F)(F)F)c1 ZINC000771977897 875589204 /nfs/dbraw/zinc/58/92/04/875589204.db2.gz NGTRWVFPPULUNO-KRWDZBQOSA-N 2 2 383.414 3.837 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]2c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000449966732 875716825 /nfs/dbraw/zinc/71/68/25/875716825.db2.gz RJBNODNKMUQNKM-VXKWHMMOSA-N 2 2 383.580 3.637 20 0 GHADLP C[NH+]1CCC(CNC(=O)C(C)(C)c2ccc(Cl)cc2)([NH+]2CCCCC2)CC1 ZINC000172754763 875901912 /nfs/dbraw/zinc/90/19/12/875901912.db2.gz GGWFUKKQNTZGER-UHFFFAOYSA-N 2 2 391.987 3.684 20 0 GHADLP C[N@@H+]1CCCC[C@H]1CCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000550993543 882987815 /nfs/dbraw/zinc/98/78/15/882987815.db2.gz RZDWZINUTVAAKK-SFHVURJKSA-N 2 2 385.581 3.830 20 0 GHADLP C[N@H+]1CCCC[C@H]1CCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000550993543 882987827 /nfs/dbraw/zinc/98/78/27/882987827.db2.gz RZDWZINUTVAAKK-SFHVURJKSA-N 2 2 385.581 3.830 20 0 GHADLP Cc1cc(NC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c(C)c[nH+]1 ZINC001202246227 876089279 /nfs/dbraw/zinc/08/92/79/876089279.db2.gz WIIICGWMSMQVIW-UHFFFAOYSA-N 2 2 394.563 3.977 20 0 GHADLP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cn(-c3ccccc3)nn2)CC1 ZINC001202298538 876117940 /nfs/dbraw/zinc/11/79/40/876117940.db2.gz BTKJBBOUNDCSOR-UHFFFAOYSA-N 2 2 375.520 3.789 20 0 GHADLP Cc1ccc(NC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(N(C)C)[nH+]1 ZINC001202394719 876198111 /nfs/dbraw/zinc/19/81/11/876198111.db2.gz FZZBSRMCTSNUNA-UYAOXDASSA-N 2 2 395.551 3.878 20 0 GHADLP Cc1ccc(NC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(N(C)C)[nH+]1 ZINC001202394719 876198115 /nfs/dbraw/zinc/19/81/15/876198115.db2.gz FZZBSRMCTSNUNA-UYAOXDASSA-N 2 2 395.551 3.878 20 0 GHADLP COc1ccc([C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C2CC2)cn1 ZINC000858341865 883036583 /nfs/dbraw/zinc/03/65/83/883036583.db2.gz MPHZUXKPEIWWLD-QHCPKHFHSA-N 2 2 380.536 3.866 20 0 GHADLP C[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174398323 877006948 /nfs/dbraw/zinc/00/69/48/877006948.db2.gz USQACCXYJMBHRR-QHCPKHFHSA-N 2 2 391.559 3.632 20 0 GHADLP C[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174398323 877006963 /nfs/dbraw/zinc/00/69/63/877006963.db2.gz USQACCXYJMBHRR-QHCPKHFHSA-N 2 2 391.559 3.632 20 0 GHADLP C[NH+](CC(=O)N(Cc1ccccc1)C1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174398323 877006976 /nfs/dbraw/zinc/00/69/76/877006976.db2.gz USQACCXYJMBHRR-QHCPKHFHSA-N 2 2 391.559 3.632 20 0 GHADLP C[NH+](CC(=O)N(Cc1ccccc1)C1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174398323 877006991 /nfs/dbraw/zinc/00/69/91/877006991.db2.gz USQACCXYJMBHRR-QHCPKHFHSA-N 2 2 391.559 3.632 20 0 GHADLP Cc1ccc([C@H]2CCCCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000174467757 877041293 /nfs/dbraw/zinc/04/12/93/877041293.db2.gz YECROOVOAFZZNE-HSZRJFAPSA-N 2 2 398.595 3.790 20 0 GHADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502612 877252036 /nfs/dbraw/zinc/25/20/36/877252036.db2.gz LPSZWXDAEKRUCA-AAEUAGOBSA-N 2 2 377.838 3.808 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C2CC2)c1 ZINC000451117916 877384112 /nfs/dbraw/zinc/38/41/12/877384112.db2.gz WAGDPIGTTHSRII-SFHVURJKSA-N 2 2 393.531 3.686 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C2CC2)c1 ZINC000451117915 877384427 /nfs/dbraw/zinc/38/44/27/877384427.db2.gz WAGDPIGTTHSRII-GOSISDBHSA-N 2 2 393.531 3.686 20 0 GHADLP COc1cccc(C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C2CC2)c1 ZINC000551703875 877674147 /nfs/dbraw/zinc/67/41/47/877674147.db2.gz LRRZJQFMTANVDH-RPBOFIJWSA-N 2 2 394.559 3.897 20 0 GHADLP COc1cccc(C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CC2)c1 ZINC000551703875 877674159 /nfs/dbraw/zinc/67/41/59/877674159.db2.gz LRRZJQFMTANVDH-RPBOFIJWSA-N 2 2 394.559 3.897 20 0 GHADLP COC1CC[NH+](CCNc2cc[nH+]c3cc(F)c(Br)cc23)CC1 ZINC000649294623 877676689 /nfs/dbraw/zinc/67/66/89/877676689.db2.gz JBMSEVCTSWWIRW-UHFFFAOYSA-N 2 2 382.277 3.659 20 0 GHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000551792938 877840241 /nfs/dbraw/zinc/84/02/41/877840241.db2.gz SOYCKKKFJHJKBM-NTUVXCKYSA-N 2 2 380.532 3.809 20 0 GHADLP O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000788251928 877957431 /nfs/dbraw/zinc/95/74/31/877957431.db2.gz ZGZKEOPZZYWJPJ-UWJYYQICSA-N 2 2 384.568 3.838 20 0 GHADLP O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000788251928 877957435 /nfs/dbraw/zinc/95/74/35/877957435.db2.gz ZGZKEOPZZYWJPJ-UWJYYQICSA-N 2 2 384.568 3.838 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCCc3ccccc3Cl)C2)CC1 ZINC000451530998 878061794 /nfs/dbraw/zinc/06/17/94/878061794.db2.gz QVCNPYAPOSQQBD-HXUWFJFHSA-N 2 2 391.987 3.539 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCCc3ccccc3Cl)C2)CC1 ZINC000451530998 878061807 /nfs/dbraw/zinc/06/18/07/878061807.db2.gz QVCNPYAPOSQQBD-HXUWFJFHSA-N 2 2 391.987 3.539 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCCc3ccccc3Cl)C2)CC1 ZINC000451530998 878061818 /nfs/dbraw/zinc/06/18/18/878061818.db2.gz QVCNPYAPOSQQBD-HXUWFJFHSA-N 2 2 391.987 3.539 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCCc3ccccc3Cl)C2)CC1 ZINC000451530998 878061834 /nfs/dbraw/zinc/06/18/34/878061834.db2.gz QVCNPYAPOSQQBD-HXUWFJFHSA-N 2 2 391.987 3.539 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000245575197 878133110 /nfs/dbraw/zinc/13/31/10/878133110.db2.gz HOJPKOQBWNDZOF-AAIMPIBUSA-N 2 2 380.536 3.814 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000245575197 878133120 /nfs/dbraw/zinc/13/31/20/878133120.db2.gz HOJPKOQBWNDZOF-AAIMPIBUSA-N 2 2 380.536 3.814 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@H](C)c3ccccc3Cl)C2)CC1 ZINC000451534774 878154304 /nfs/dbraw/zinc/15/43/04/878154304.db2.gz NPRIYDWWISSQEJ-IEBWSBKVSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@H](C)c3ccccc3Cl)C2)CC1 ZINC000451534774 878154316 /nfs/dbraw/zinc/15/43/16/878154316.db2.gz NPRIYDWWISSQEJ-IEBWSBKVSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@H](C)c3ccccc3Cl)C2)CC1 ZINC000451534774 878154323 /nfs/dbraw/zinc/15/43/23/878154323.db2.gz NPRIYDWWISSQEJ-IEBWSBKVSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@H](C)c3ccccc3Cl)C2)CC1 ZINC000451534774 878154335 /nfs/dbraw/zinc/15/43/35/878154335.db2.gz NPRIYDWWISSQEJ-IEBWSBKVSA-N 2 2 377.960 3.667 20 0 GHADLP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000788565151 878156953 /nfs/dbraw/zinc/15/69/53/878156953.db2.gz ZFLNAWOVOCGPRD-PKOBYXMFSA-N 2 2 384.524 3.998 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](Nc2ccc(N4CCOCC4)c[nH+]2)C3)cc1 ZINC000245695063 878405371 /nfs/dbraw/zinc/40/53/71/878405371.db2.gz KYKBSHDVKUIRHO-WKCHPHFGSA-N 2 2 378.520 3.526 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](Nc2ccc(N4CCOCC4)c[nH+]2)C3)cc1 ZINC000245695063 878405384 /nfs/dbraw/zinc/40/53/84/878405384.db2.gz KYKBSHDVKUIRHO-WKCHPHFGSA-N 2 2 378.520 3.526 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccccc1 ZINC000245741223 878515214 /nfs/dbraw/zinc/51/52/14/878515214.db2.gz ROOBTWUFIUUCTB-XBYSBRQOSA-N 2 2 375.516 3.577 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccccc1 ZINC000245741223 878515226 /nfs/dbraw/zinc/51/52/26/878515226.db2.gz ROOBTWUFIUUCTB-XBYSBRQOSA-N 2 2 375.516 3.577 20 0 GHADLP Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000238061223 878658822 /nfs/dbraw/zinc/65/88/22/878658822.db2.gz UMJVVYQLMBVVRN-HXUWFJFHSA-N 2 2 396.922 3.986 20 0 GHADLP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000530904052 878720864 /nfs/dbraw/zinc/72/08/64/878720864.db2.gz YFBGLPKUMUUVOR-UHFFFAOYSA-N 2 2 391.427 3.704 20 0 GHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000177486893 878727858 /nfs/dbraw/zinc/72/78/58/878727858.db2.gz VSNNKVMEIIPTEL-SFHVURJKSA-N 2 2 389.584 3.790 20 0 GHADLP CC[NH+](CC)Cc1csc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000746838020 879149108 /nfs/dbraw/zinc/14/91/08/879149108.db2.gz XGFTXIHJBKVEOX-GOSISDBHSA-N 2 2 386.565 3.836 20 0 GHADLP Cc1cc(C)cc(-n2ncc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)n2)c1 ZINC000789769216 879249456 /nfs/dbraw/zinc/24/94/56/879249456.db2.gz NLLJRNCYZPAOOO-UHFFFAOYSA-N 2 2 390.535 3.797 20 0 GHADLP Cn1c[nH+]cc1CCC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452455242 879470034 /nfs/dbraw/zinc/47/00/34/879470034.db2.gz XFJIZTBDWUNHGD-QHCPKHFHSA-N 2 2 394.563 3.502 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246462320 879584488 /nfs/dbraw/zinc/58/44/88/879584488.db2.gz FMVSQBIQNHXDNS-STHPQGGCSA-N 2 2 389.971 3.854 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246462320 879584497 /nfs/dbraw/zinc/58/44/97/879584497.db2.gz FMVSQBIQNHXDNS-STHPQGGCSA-N 2 2 389.971 3.854 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246462320 879584517 /nfs/dbraw/zinc/58/45/17/879584517.db2.gz FMVSQBIQNHXDNS-STHPQGGCSA-N 2 2 389.971 3.854 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246462320 879584519 /nfs/dbraw/zinc/58/45/19/879584519.db2.gz FMVSQBIQNHXDNS-STHPQGGCSA-N 2 2 389.971 3.854 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246462311 879584669 /nfs/dbraw/zinc/58/46/69/879584669.db2.gz FMVSQBIQNHXDNS-ROWPZFDLSA-N 2 2 389.971 3.854 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246462311 879584681 /nfs/dbraw/zinc/58/46/81/879584681.db2.gz FMVSQBIQNHXDNS-ROWPZFDLSA-N 2 2 389.971 3.854 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246462311 879584697 /nfs/dbraw/zinc/58/46/97/879584697.db2.gz FMVSQBIQNHXDNS-ROWPZFDLSA-N 2 2 389.971 3.854 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246462311 879584701 /nfs/dbraw/zinc/58/47/01/879584701.db2.gz FMVSQBIQNHXDNS-ROWPZFDLSA-N 2 2 389.971 3.854 20 0 GHADLP CN(C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C(c1ccccc1)c1ccccc1 ZINC000531427648 879818144 /nfs/dbraw/zinc/81/81/44/879818144.db2.gz ZIUREFXPAJQHCP-UHFFFAOYSA-N 2 2 388.515 3.837 20 0 GHADLP C[C@@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000247150375 879931262 /nfs/dbraw/zinc/93/12/62/879931262.db2.gz RMJUSDNPWNFIKY-DPLHUUCSSA-N 3 2 380.580 3.792 20 0 GHADLP C[C@@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000247150375 879931275 /nfs/dbraw/zinc/93/12/75/879931275.db2.gz RMJUSDNPWNFIKY-DPLHUUCSSA-N 3 2 380.580 3.792 20 0 GHADLP C[C@@H](CC[NH2+][C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000247150375 879931290 /nfs/dbraw/zinc/93/12/90/879931290.db2.gz RMJUSDNPWNFIKY-DPLHUUCSSA-N 3 2 380.580 3.792 20 0 GHADLP C[C@@H](CC[NH2+][C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000247150375 879931303 /nfs/dbraw/zinc/93/13/03/879931303.db2.gz RMJUSDNPWNFIKY-DPLHUUCSSA-N 3 2 380.580 3.792 20 0 GHADLP CC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000247553457 880024046 /nfs/dbraw/zinc/02/40/46/880024046.db2.gz QDBKZOCRVWAACE-FGZHOGPDSA-N 2 2 398.595 3.801 20 0 GHADLP CC[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000247553457 880024056 /nfs/dbraw/zinc/02/40/56/880024056.db2.gz QDBKZOCRVWAACE-FGZHOGPDSA-N 2 2 398.595 3.801 20 0 GHADLP O=C(Cc1[nH]cc[nH+]1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000854900815 880130630 /nfs/dbraw/zinc/13/06/30/880130630.db2.gz YHECROWNXIIUNC-OAQYLSRUSA-N 2 2 380.536 3.636 20 0 GHADLP COC(=O)c1csc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000286011116 912536674 /nfs/dbraw/zinc/53/66/74/912536674.db2.gz IDFDBESVBKYMMR-CQSZACIVSA-N 2 2 388.537 3.633 20 0 GHADLP CC(C)Cc1cccc([C@@H](C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000286130252 912582101 /nfs/dbraw/zinc/58/21/01/912582101.db2.gz WINIUXYIGQLPLR-LJQANCHMSA-N 2 2 385.596 3.663 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000643278667 912601268 /nfs/dbraw/zinc/60/12/68/912601268.db2.gz HGFHOHSGHAKFJU-FCHUYYIVSA-N 2 2 395.551 3.532 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000643278667 912601271 /nfs/dbraw/zinc/60/12/71/912601271.db2.gz HGFHOHSGHAKFJU-FCHUYYIVSA-N 2 2 395.551 3.532 20 0 GHADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453330090 880762877 /nfs/dbraw/zinc/76/28/77/880762877.db2.gz RVJKRLNAGQGMRV-HOYKHHGWSA-N 2 2 395.547 3.975 20 0 GHADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000186878532 881010931 /nfs/dbraw/zinc/01/09/31/881010931.db2.gz GAOWMMKXKGLVQO-FDDCHVKYSA-N 2 2 375.520 3.829 20 0 GHADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000186878532 881010950 /nfs/dbraw/zinc/01/09/50/881010950.db2.gz GAOWMMKXKGLVQO-FDDCHVKYSA-N 2 2 375.520 3.829 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC4(CC3)OCCc3ccccc34)sc2C1 ZINC000453578824 881082535 /nfs/dbraw/zinc/08/25/35/881082535.db2.gz RIDFVKBAXZTISM-UHFFFAOYSA-N 2 2 397.588 3.974 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC4(CC3)OCCc3ccccc34)sc2C1 ZINC000453578824 881082548 /nfs/dbraw/zinc/08/25/48/881082548.db2.gz RIDFVKBAXZTISM-UHFFFAOYSA-N 2 2 397.588 3.974 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000184730635 883381021 /nfs/dbraw/zinc/38/10/21/883381021.db2.gz SFWKUDKSTBGOBS-FQEVSTJZSA-N 2 2 376.504 3.849 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000184730635 883381039 /nfs/dbraw/zinc/38/10/39/883381039.db2.gz SFWKUDKSTBGOBS-FQEVSTJZSA-N 2 2 376.504 3.849 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccc1-n1ccnn1 ZINC000286345168 912702565 /nfs/dbraw/zinc/70/25/65/912702565.db2.gz YZPRSUVAVLPCRF-MSOLQXFVSA-N 2 2 376.508 3.539 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000116383211 883405019 /nfs/dbraw/zinc/40/50/19/883405019.db2.gz WUEQZLURPSWASY-LIRRHRJNSA-N 2 2 392.316 3.983 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000116383211 883405025 /nfs/dbraw/zinc/40/50/25/883405025.db2.gz WUEQZLURPSWASY-LIRRHRJNSA-N 2 2 392.316 3.983 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000729603130 883756527 /nfs/dbraw/zinc/75/65/27/883756527.db2.gz GPVFOTKUQWQMGQ-AZUAARDMSA-N 2 2 380.621 3.506 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000729603130 883756538 /nfs/dbraw/zinc/75/65/38/883756538.db2.gz GPVFOTKUQWQMGQ-AZUAARDMSA-N 2 2 380.621 3.506 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)C1CCCCC1 ZINC000542530182 884311271 /nfs/dbraw/zinc/31/12/71/884311271.db2.gz CVSUGRJCHIWXMV-RBUKOAKNSA-N 2 2 387.568 3.652 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(Cl)c1Cl ZINC000130455368 884665709 /nfs/dbraw/zinc/66/57/09/884665709.db2.gz SOBAOARFAKUVCN-CQSZACIVSA-N 2 2 379.335 3.991 20 0 GHADLP CCc1nc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cs1 ZINC000105464609 884789255 /nfs/dbraw/zinc/78/92/55/884789255.db2.gz LOQVKILDRXPMLK-OAHLLOKOSA-N 2 2 376.545 3.837 20 0 GHADLP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000556409892 884809506 /nfs/dbraw/zinc/80/95/06/884809506.db2.gz HQIDNZUJUGLRHT-CQSZACIVSA-N 2 2 375.519 3.578 20 0 GHADLP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498561526 884834868 /nfs/dbraw/zinc/83/48/68/884834868.db2.gz GCQZEIHMJQPXPN-WOJBJXKFSA-N 2 2 382.527 3.816 20 0 GHADLP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498561526 884834881 /nfs/dbraw/zinc/83/48/81/884834881.db2.gz GCQZEIHMJQPXPN-WOJBJXKFSA-N 2 2 382.527 3.816 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1C ZINC000806641465 884891252 /nfs/dbraw/zinc/89/12/52/884891252.db2.gz NGOQSARDHKLFSW-XLIONFOSSA-N 2 2 384.524 3.506 20 0 GHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c2ccccc21 ZINC000643470426 885056775 /nfs/dbraw/zinc/05/67/75/885056775.db2.gz SOIBHMXZIGLWEO-KZNAEPCWSA-N 2 2 375.394 3.545 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000130778156 885113300 /nfs/dbraw/zinc/11/33/00/885113300.db2.gz MMAPUCONWDDWOU-UHFFFAOYSA-N 2 2 392.503 3.731 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000130778156 885113309 /nfs/dbraw/zinc/11/33/09/885113309.db2.gz MMAPUCONWDDWOU-UHFFFAOYSA-N 2 2 392.503 3.731 20 0 GHADLP Cc1ccc(C2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cn1 ZINC000556500157 885128362 /nfs/dbraw/zinc/12/83/62/885128362.db2.gz SAVGXZLYRSANNS-XMMPIXPASA-N 2 2 379.548 3.861 20 0 GHADLP Cc1ccc(C2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cn1 ZINC000556500157 885128369 /nfs/dbraw/zinc/12/83/69/885128369.db2.gz SAVGXZLYRSANNS-XMMPIXPASA-N 2 2 379.548 3.861 20 0 GHADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](c2sccc2Br)C2CCCCC2)C1 ZINC000556573024 885537094 /nfs/dbraw/zinc/53/70/94/885537094.db2.gz MHJBGWCKQQJQMY-RDJZCZTQSA-N 2 2 387.387 3.788 20 0 GHADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H](c2sccc2Br)C2CCCCC2)C1 ZINC000556573024 885537100 /nfs/dbraw/zinc/53/71/00/885537100.db2.gz MHJBGWCKQQJQMY-RDJZCZTQSA-N 2 2 387.387 3.788 20 0 GHADLP Cn1c[nH+]cc1-c1cccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170528811 885576755 /nfs/dbraw/zinc/57/67/55/885576755.db2.gz SJBDNDFZGDLAGE-UHFFFAOYSA-N 3 2 399.542 3.997 20 0 GHADLP CCCCCC[N@H+](C)CC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000118315752 885586806 /nfs/dbraw/zinc/58/68/06/885586806.db2.gz UTJMVWPTDOSSMY-KDURUIRLSA-N 2 2 375.557 3.746 20 0 GHADLP CCCCCC[N@@H+](C)CC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000118315752 885586831 /nfs/dbraw/zinc/58/68/31/885586831.db2.gz UTJMVWPTDOSSMY-KDURUIRLSA-N 2 2 375.557 3.746 20 0 GHADLP CCCCCC[NH+](C)CC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000118315752 885586836 /nfs/dbraw/zinc/58/68/36/885586836.db2.gz UTJMVWPTDOSSMY-KDURUIRLSA-N 2 2 375.557 3.746 20 0 GHADLP CCCCCC[NH+](C)CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000118315752 885586845 /nfs/dbraw/zinc/58/68/45/885586845.db2.gz UTJMVWPTDOSSMY-KDURUIRLSA-N 2 2 375.557 3.746 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)C[C@@H]1c1ccccc1 ZINC000550643673 885691850 /nfs/dbraw/zinc/69/18/50/885691850.db2.gz CJUPFILELGWRBT-KMDXXIMOSA-N 2 2 391.559 3.645 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)C[C@@H]1c1ccccc1 ZINC000550643673 885691862 /nfs/dbraw/zinc/69/18/62/885691862.db2.gz CJUPFILELGWRBT-KMDXXIMOSA-N 2 2 391.559 3.645 20 0 GHADLP C[C@H]1CC[N@H+](C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000498919941 886095735 /nfs/dbraw/zinc/09/57/35/886095735.db2.gz XIBHQFJDWXFSFD-INIZCTEOSA-N 2 2 395.576 3.950 20 0 GHADLP C[C@H]1CC[N@@H+](C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000498919941 886095747 /nfs/dbraw/zinc/09/57/47/886095747.db2.gz XIBHQFJDWXFSFD-INIZCTEOSA-N 2 2 395.576 3.950 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000670180166 886218133 /nfs/dbraw/zinc/21/81/33/886218133.db2.gz LGFCSBQSQPVXFI-RTWAWAEBSA-N 2 2 395.551 3.530 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000670180166 886218150 /nfs/dbraw/zinc/21/81/50/886218150.db2.gz LGFCSBQSQPVXFI-RTWAWAEBSA-N 2 2 395.551 3.530 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccsc1 ZINC000056895292 886389983 /nfs/dbraw/zinc/38/99/83/886389983.db2.gz VSFSAIHIYPFTRZ-FQEVSTJZSA-N 2 2 397.548 3.816 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000119115562 886655305 /nfs/dbraw/zinc/65/53/05/886655305.db2.gz KNAKSWQLROLHTF-GCJKJVERSA-N 2 2 379.504 3.958 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000119115562 886655312 /nfs/dbraw/zinc/65/53/12/886655312.db2.gz KNAKSWQLROLHTF-GCJKJVERSA-N 2 2 379.504 3.958 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(Br)ncc1F ZINC000762732966 886768770 /nfs/dbraw/zinc/76/87/70/886768770.db2.gz IFEHUZNRRCWZCH-LBPRGKRZSA-N 2 2 379.277 3.698 20 0 GHADLP O=C1O[C@H](c2ccccc2)CN1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000863266143 886981195 /nfs/dbraw/zinc/98/11/95/886981195.db2.gz DWFQCZMJHLMVFH-FQEVSTJZSA-N 2 2 380.492 3.550 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@H](c4ccccc4)CC3(C)C)CC2)CC1 ZINC000915500080 887117778 /nfs/dbraw/zinc/11/77/78/887117778.db2.gz AJZNIFGHIZUKFO-HXUWFJFHSA-N 2 2 398.595 3.523 20 0 GHADLP COc1ccccc1N1CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000119683751 887432661 /nfs/dbraw/zinc/43/26/61/887432661.db2.gz XLLQKBQLIWRLFB-FQEVSTJZSA-N 2 2 394.563 3.599 20 0 GHADLP COCOc1ccc(OC)cc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000119814920 887533177 /nfs/dbraw/zinc/53/31/77/887533177.db2.gz MREIOITWWFQQJJ-SFHVURJKSA-N 2 2 384.520 3.993 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)CCc3cccnc3)CC2)cc1 ZINC000866368189 888848829 /nfs/dbraw/zinc/84/88/29/888848829.db2.gz XXHHAOCSFNZUFI-GOSISDBHSA-N 2 2 380.536 3.615 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000533067489 889623215 /nfs/dbraw/zinc/62/32/15/889623215.db2.gz YAZTVGCSZPXIPT-WIYYLYMNSA-N 2 2 390.487 3.978 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000533067489 889623219 /nfs/dbraw/zinc/62/32/19/889623219.db2.gz YAZTVGCSZPXIPT-WIYYLYMNSA-N 2 2 390.487 3.978 20 0 GHADLP Cc1ccc(F)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124809532 889771893 /nfs/dbraw/zinc/77/18/93/889771893.db2.gz DRZYSDAVMUNNGE-LEWJYISDSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1ccc(F)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124809532 889771904 /nfs/dbraw/zinc/77/19/04/889771904.db2.gz DRZYSDAVMUNNGE-LEWJYISDSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1[nH+]ccn1-c1ncccc1CNc1cc[nH+]c2ccc(Br)cc12 ZINC000811825582 890042373 /nfs/dbraw/zinc/04/23/73/890042373.db2.gz LCEUJHVUSFZMSO-UHFFFAOYSA-N 2 2 394.276 3.920 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000125666153 890070127 /nfs/dbraw/zinc/07/01/27/890070127.db2.gz MDKFJLYIGHECQR-AAIMPIBUSA-N 2 2 382.527 3.690 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000125666153 890070135 /nfs/dbraw/zinc/07/01/35/890070135.db2.gz MDKFJLYIGHECQR-AAIMPIBUSA-N 2 2 382.527 3.690 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(-n2ccnc2)cc1 ZINC000533484769 890695099 /nfs/dbraw/zinc/69/50/99/890695099.db2.gz XEEKIQFIOFIAFF-UHFFFAOYSA-N 3 2 395.595 3.500 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(-n2ccnc2)cc1 ZINC000533484769 890695104 /nfs/dbraw/zinc/69/51/04/890695104.db2.gz XEEKIQFIOFIAFF-UHFFFAOYSA-N 3 2 395.595 3.500 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001133431317 890913956 /nfs/dbraw/zinc/91/39/56/890913956.db2.gz GQVRIABXLSTTPO-UHFFFAOYSA-N 2 2 376.504 3.899 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001133431317 890913966 /nfs/dbraw/zinc/91/39/66/890913966.db2.gz GQVRIABXLSTTPO-UHFFFAOYSA-N 2 2 376.504 3.899 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000812838605 891026175 /nfs/dbraw/zinc/02/61/75/891026175.db2.gz XETOTJUEWQQXNH-NRFANRHFSA-N 2 2 381.520 3.541 20 0 GHADLP CC1CCC(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000533672730 891055473 /nfs/dbraw/zinc/05/54/73/891055473.db2.gz QXHKLBAFQUHQNN-SLMMIHQXSA-N 2 2 392.632 3.791 20 0 GHADLP CC1CCC(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000533672730 891055486 /nfs/dbraw/zinc/05/54/86/891055486.db2.gz QXHKLBAFQUHQNN-SLMMIHQXSA-N 2 2 392.632 3.791 20 0 GHADLP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000533674403 891111013 /nfs/dbraw/zinc/11/10/13/891111013.db2.gz RMPPJCPMMBHKSD-OCFWJZSCSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000533674403 891111021 /nfs/dbraw/zinc/11/10/21/891111021.db2.gz RMPPJCPMMBHKSD-OCFWJZSCSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000533674405 891111386 /nfs/dbraw/zinc/11/13/86/891111386.db2.gz RMPPJCPMMBHKSD-VBCWZRPASA-N 2 2 392.632 3.790 20 0 GHADLP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000533674405 891111392 /nfs/dbraw/zinc/11/13/92/891111392.db2.gz RMPPJCPMMBHKSD-VBCWZRPASA-N 2 2 392.632 3.790 20 0 GHADLP Cc1cc(C)c(CNC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000455574226 891260322 /nfs/dbraw/zinc/26/03/22/891260322.db2.gz QPGQMJLQCHSAIZ-CTNGQTDRSA-N 2 2 380.536 3.798 20 0 GHADLP Cc1cc(C)c(CNC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000455574226 891260336 /nfs/dbraw/zinc/26/03/36/891260336.db2.gz QPGQMJLQCHSAIZ-CTNGQTDRSA-N 2 2 380.536 3.798 20 0 GHADLP CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000497449003 891612681 /nfs/dbraw/zinc/61/26/81/891612681.db2.gz YDQAYBGTCWDMSL-QFIPXVFZSA-N 2 2 385.577 3.721 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000162026820 892019797 /nfs/dbraw/zinc/01/97/97/892019797.db2.gz HZOIJKALFHTXTN-OAHLLOKOSA-N 2 2 394.437 3.666 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000813858395 892028673 /nfs/dbraw/zinc/02/86/73/892028673.db2.gz ZBCGGMDQBQEAQJ-GOSISDBHSA-N 2 2 394.563 3.774 20 0 GHADLP CC(C)N(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000648565958 892308761 /nfs/dbraw/zinc/30/87/61/892308761.db2.gz OPUJFOLAOXUJHD-QHCPKHFHSA-N 2 2 388.515 3.997 20 0 GHADLP CC(C)N(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648565958 892308780 /nfs/dbraw/zinc/30/87/80/892308780.db2.gz OPUJFOLAOXUJHD-QHCPKHFHSA-N 2 2 388.515 3.997 20 0 GHADLP C[C@](O)(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Br)cc1Cl ZINC000815060485 893400568 /nfs/dbraw/zinc/40/05/68/893400568.db2.gz PGHOVFBKMOBXQO-KRWDZBQOSA-N 2 2 398.732 3.913 20 0 GHADLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc2c1OCO2 ZINC000536676719 893520547 /nfs/dbraw/zinc/52/05/47/893520547.db2.gz NAQOVUSXCDOFSU-FXAWDEMLSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc2c1OCO2 ZINC000536676719 893520568 /nfs/dbraw/zinc/52/05/68/893520568.db2.gz NAQOVUSXCDOFSU-FXAWDEMLSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc2c1OCO2 ZINC000536676719 893520573 /nfs/dbraw/zinc/52/05/73/893520573.db2.gz NAQOVUSXCDOFSU-FXAWDEMLSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc2c1OCO2 ZINC000536676719 893520590 /nfs/dbraw/zinc/52/05/90/893520590.db2.gz NAQOVUSXCDOFSU-FXAWDEMLSA-N 2 2 382.504 3.909 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686238628 894011323 /nfs/dbraw/zinc/01/13/23/894011323.db2.gz OQUHQNFVETWAGF-JPYJTQIMSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686238628 894011343 /nfs/dbraw/zinc/01/13/43/894011343.db2.gz OQUHQNFVETWAGF-JPYJTQIMSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@@H]([NH2+]Cc1cc(Cl)cc(C[NH2+][C@H](C)c2ccn(C)n2)c1)c1ccn(C)n1 ZINC000459776304 894179000 /nfs/dbraw/zinc/17/90/00/894179000.db2.gz DIBFIACSQWCKOG-HUUCEWRRSA-N 2 2 386.931 3.509 20 0 GHADLP CN(C(=O)CC(C)(C)CC(F)F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000879290081 894956084 /nfs/dbraw/zinc/95/60/84/894956084.db2.gz AGXPCEQADUDKMK-QZTJIDSGSA-N 2 2 387.559 3.854 20 0 GHADLP CN(C(=O)CC(C)(C)CC(F)F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000879290081 894956095 /nfs/dbraw/zinc/95/60/95/894956095.db2.gz AGXPCEQADUDKMK-QZTJIDSGSA-N 2 2 387.559 3.854 20 0 GHADLP C[NH+](C)[C@@H](C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1)c1ccccc1 ZINC000816763775 895055457 /nfs/dbraw/zinc/05/54/57/895055457.db2.gz BRPQIWSWRRJZCX-OAQYLSRUSA-N 2 2 378.476 3.665 20 0 GHADLP O=C(Nc1ccc2oc(C[NH+]3CCCC3)nc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000816765433 895059033 /nfs/dbraw/zinc/05/90/33/895059033.db2.gz FFAQBXNPCAEBNS-UHFFFAOYSA-N 2 2 387.443 3.862 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](C[C@H]3CCOC3)c3ccccc3)[nH+]c2)C1 ZINC000537458210 895060133 /nfs/dbraw/zinc/06/01/33/895060133.db2.gz XSKZRLKVGQTAFI-QIJUGHKUSA-N 2 2 380.536 3.802 20 0 GHADLP COc1ccc([C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1F ZINC000626127654 895249051 /nfs/dbraw/zinc/24/90/51/895249051.db2.gz TUOSFVFOQIKKAL-NRFANRHFSA-N 2 2 384.495 3.656 20 0 GHADLP COc1ccc([C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1F ZINC000626127654 895249066 /nfs/dbraw/zinc/24/90/66/895249066.db2.gz TUOSFVFOQIKKAL-NRFANRHFSA-N 2 2 384.495 3.656 20 0 GHADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)OCCc2ccccc21 ZINC000565448330 895633696 /nfs/dbraw/zinc/63/36/96/895633696.db2.gz APGMTOSRQAVIMX-FDDCHVKYSA-N 2 2 377.488 3.638 20 0 GHADLP Cc1noc(CCC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)n1 ZINC000565847485 895926822 /nfs/dbraw/zinc/92/68/22/895926822.db2.gz NLVAKQFFPDECJL-FCHUYYIVSA-N 2 2 376.504 3.568 20 0 GHADLP Cc1noc(CCC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)n1 ZINC000565847485 895926843 /nfs/dbraw/zinc/92/68/43/895926843.db2.gz NLVAKQFFPDECJL-FCHUYYIVSA-N 2 2 376.504 3.568 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000817955031 895976876 /nfs/dbraw/zinc/97/68/76/895976876.db2.gz PBFKCISYPHOIDR-DYESRHJHSA-N 2 2 379.504 3.521 20 0 GHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000566106445 896112534 /nfs/dbraw/zinc/11/25/34/896112534.db2.gz QCCIPUNQVAAQKQ-DENIHFKCSA-N 2 2 393.531 3.627 20 0 GHADLP O[C@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(OC(F)(F)F)cc1 ZINC000818946075 896288583 /nfs/dbraw/zinc/28/85/83/896288583.db2.gz XNKJNGNNXHWBEE-LJQANCHMSA-N 2 2 391.393 3.653 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC001136192667 896398829 /nfs/dbraw/zinc/39/88/29/896398829.db2.gz MOGKIVUTAQUVAK-QFIPXVFZSA-N 2 2 399.966 3.986 20 0 GHADLP Cn1c2ccc(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2sc1=O ZINC000566681496 896486348 /nfs/dbraw/zinc/48/63/48/896486348.db2.gz GRRRMRMYOWLHQY-HSZRJFAPSA-N 2 2 393.556 3.698 20 0 GHADLP Cn1c2ccc(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2sc1=O ZINC000566681496 896486353 /nfs/dbraw/zinc/48/63/53/896486353.db2.gz GRRRMRMYOWLHQY-HSZRJFAPSA-N 2 2 393.556 3.698 20 0 GHADLP Cn1c2ccc(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2sc1=O ZINC000566681496 896486359 /nfs/dbraw/zinc/48/63/59/896486359.db2.gz GRRRMRMYOWLHQY-HSZRJFAPSA-N 2 2 393.556 3.698 20 0 GHADLP Cn1c2ccc(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)cc2sc1=O ZINC000566681496 896486363 /nfs/dbraw/zinc/48/63/63/896486363.db2.gz GRRRMRMYOWLHQY-HSZRJFAPSA-N 2 2 393.556 3.698 20 0 GHADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1F ZINC000826283084 896866461 /nfs/dbraw/zinc/86/64/61/896866461.db2.gz JZCKZPODZYCVDI-INIZCTEOSA-N 2 2 394.498 3.629 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000819893292 897035725 /nfs/dbraw/zinc/03/57/25/897035725.db2.gz UCHROEODEMVRRT-CBNMVNINSA-N 2 2 380.536 3.845 20 0 GHADLP CN(C(=O)c1ccncc1)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000130425722 897082175 /nfs/dbraw/zinc/08/21/75/897082175.db2.gz LRXWZZVRYNYEHN-UHFFFAOYSA-N 2 2 397.482 3.834 20 0 GHADLP Fc1ccc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CCOCC2)cc1 ZINC000883174143 897341592 /nfs/dbraw/zinc/34/15/92/897341592.db2.gz CLBPHHYSPGGRBF-XMMPIXPASA-N 2 2 398.522 3.915 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc4ccccc4c3)CC2)CC1 ZINC000108790964 898404086 /nfs/dbraw/zinc/40/40/86/898404086.db2.gz FAIPKDXCEKQCCH-BJKOFHAPSA-N 2 2 391.559 3.618 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111243923 898794572 /nfs/dbraw/zinc/79/45/72/898794572.db2.gz UBNRZQZOCUJGOX-QFIPXVFZSA-N 2 2 396.535 3.673 20 0 GHADLP CC(C)[N@H+](C)Cc1cccc(CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001136699399 898955974 /nfs/dbraw/zinc/95/59/74/898955974.db2.gz WVQXWTKLTDGQCD-UHFFFAOYSA-N 2 2 376.504 3.571 20 0 GHADLP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001136699399 898955990 /nfs/dbraw/zinc/95/59/90/898955990.db2.gz WVQXWTKLTDGQCD-UHFFFAOYSA-N 2 2 376.504 3.571 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000569831399 898973984 /nfs/dbraw/zinc/97/39/84/898973984.db2.gz KDAIBRNABOERJH-HXUWFJFHSA-N 2 2 392.499 3.826 20 0 GHADLP Cc1cccc(C(=O)N2CCC([NH2+]Cc3ccccc3Cn3cc[nH+]c3)CC2)c1 ZINC001202668348 899037658 /nfs/dbraw/zinc/03/76/58/899037658.db2.gz WKKXZJXDLFXEQD-UHFFFAOYSA-N 2 2 388.515 3.634 20 0 GHADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1C ZINC000570155897 899163772 /nfs/dbraw/zinc/16/37/72/899163772.db2.gz TXOZBGQCFHZHTP-NFBKMPQASA-N 2 2 397.563 3.562 20 0 GHADLP Brc1cccc2c(N3CCC[C@H]([NH+]4CCOCC4)CC3)cc[nH+]c12 ZINC000570226078 899205181 /nfs/dbraw/zinc/20/51/81/899205181.db2.gz HERNKKGHCFSYLM-HNNXBMFYSA-N 2 2 390.325 3.688 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(Br)c1 ZINC000570858902 899645751 /nfs/dbraw/zinc/64/57/51/899645751.db2.gz GASJTHDGHMMAGB-HUUCEWRRSA-N 2 2 385.346 3.609 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(Br)c1 ZINC000570858902 899645761 /nfs/dbraw/zinc/64/57/61/899645761.db2.gz GASJTHDGHMMAGB-HUUCEWRRSA-N 2 2 385.346 3.609 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(Cl)cc1 ZINC000824545201 899702742 /nfs/dbraw/zinc/70/27/42/899702742.db2.gz BMBKVKNMFUSXMW-OAHLLOKOSA-N 2 2 396.926 3.835 20 0 GHADLP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333012656 899891515 /nfs/dbraw/zinc/89/15/15/899891515.db2.gz GDXSGBAKPIMJGI-IKVWTGGYSA-N 2 2 386.584 3.728 20 0 GHADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(C)cc1 ZINC000825142476 900003043 /nfs/dbraw/zinc/00/30/43/900003043.db2.gz SJGZZCNQHPTGPH-JOCHJYFZSA-N 2 2 390.535 3.880 20 0 GHADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000572089168 900065027 /nfs/dbraw/zinc/06/50/27/900065027.db2.gz TTXXIHQUBVKBEQ-OALUTQOASA-N 2 2 376.614 3.788 20 0 GHADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000290020417 914484245 /nfs/dbraw/zinc/48/42/45/914484245.db2.gz RAAZFIYGMKHQST-PKTZIBPZSA-N 2 2 388.515 3.603 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000574608177 900946886 /nfs/dbraw/zinc/94/68/86/900946886.db2.gz NVUJHIXKEFAFCY-KRWDZBQOSA-N 2 2 394.437 3.856 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000574679885 900970256 /nfs/dbraw/zinc/97/02/56/900970256.db2.gz ZCLKTIUFLMPUDI-YKSBVNFPSA-N 2 2 396.531 3.688 20 0 GHADLP C[NH+](C)CCN(Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(F)cc1F ZINC000575095257 901118661 /nfs/dbraw/zinc/11/86/61/901118661.db2.gz DVLPPFAVOQPRIK-UHFFFAOYSA-N 2 2 376.476 3.776 20 0 GHADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000826513755 901394813 /nfs/dbraw/zinc/39/48/13/901394813.db2.gz VEYFHLSTGBYOQG-KAGYGMCKSA-N 2 2 394.567 3.780 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000093318189 901541624 /nfs/dbraw/zinc/54/16/24/901541624.db2.gz SZYLEWBOKUVYHI-XXBNENTESA-N 2 2 389.547 3.967 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000093318189 901541635 /nfs/dbraw/zinc/54/16/35/901541635.db2.gz SZYLEWBOKUVYHI-XXBNENTESA-N 2 2 389.547 3.967 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000093318189 901541648 /nfs/dbraw/zinc/54/16/48/901541648.db2.gz SZYLEWBOKUVYHI-XXBNENTESA-N 2 2 389.547 3.967 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000093318189 901541659 /nfs/dbraw/zinc/54/16/59/901541659.db2.gz SZYLEWBOKUVYHI-XXBNENTESA-N 2 2 389.547 3.967 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000093318533 901541759 /nfs/dbraw/zinc/54/17/59/901541759.db2.gz PARHZQNIQCXXDM-XXBNENTESA-N 2 2 389.547 3.967 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000093318533 901541766 /nfs/dbraw/zinc/54/17/66/901541766.db2.gz PARHZQNIQCXXDM-XXBNENTESA-N 2 2 389.547 3.967 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000093318533 901541779 /nfs/dbraw/zinc/54/17/79/901541779.db2.gz PARHZQNIQCXXDM-XXBNENTESA-N 2 2 389.547 3.967 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000093318533 901541785 /nfs/dbraw/zinc/54/17/85/901541785.db2.gz PARHZQNIQCXXDM-XXBNENTESA-N 2 2 389.547 3.967 20 0 GHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cc(F)cc(Cl)c3)CC2)C[C@H](C)O1 ZINC000576029752 901605811 /nfs/dbraw/zinc/60/58/11/901605811.db2.gz ZAQVFDPEEJYMGO-IYBDPMFKSA-N 2 2 384.923 3.569 20 0 GHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cc(F)cc(Cl)c3)CC2)C[C@H](C)O1 ZINC000576029752 901605821 /nfs/dbraw/zinc/60/58/21/901605821.db2.gz ZAQVFDPEEJYMGO-IYBDPMFKSA-N 2 2 384.923 3.569 20 0 GHADLP COc1cc(C[NH+]2CCOCC2)ccc1-n1cc(C[C@H](C)[NH3+])c2ccc(C)cc21 ZINC001171168802 901928241 /nfs/dbraw/zinc/92/82/41/901928241.db2.gz VJVMCQSOONDLGQ-SFHVURJKSA-N 2 2 393.531 3.669 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000124423652 902067068 /nfs/dbraw/zinc/06/70/68/902067068.db2.gz LHJHUIRCDIVSNC-UHFFFAOYSA-N 2 2 395.532 3.531 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000124423652 902067079 /nfs/dbraw/zinc/06/70/79/902067079.db2.gz LHJHUIRCDIVSNC-UHFFFAOYSA-N 2 2 395.532 3.531 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cn1 ZINC000126324001 902310514 /nfs/dbraw/zinc/31/05/14/902310514.db2.gz OOTUJZVCGXPVKP-HNNXBMFYSA-N 2 2 390.491 3.710 20 0 GHADLP O=C(NCCNc1cccc[nH+]1)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000646533540 914621503 /nfs/dbraw/zinc/62/15/03/914621503.db2.gz HZLBIPOCOVKZBO-UHFFFAOYSA-N 2 2 399.564 3.893 20 0 GHADLP CC(C)(C)OC(=O)NCCC1CC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000845921231 902530532 /nfs/dbraw/zinc/53/05/32/902530532.db2.gz KQQIFDYKTOZLNY-UHFFFAOYSA-N 2 2 384.524 3.714 20 0 GHADLP CC(C)(C)OC(=O)NCc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000846060954 902622796 /nfs/dbraw/zinc/62/27/96/902622796.db2.gz DDPGGDZMZDRRDJ-UHFFFAOYSA-N 2 2 391.531 3.814 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2F)[C@@H](C)C1 ZINC000846060491 902673731 /nfs/dbraw/zinc/67/37/31/902673731.db2.gz NLXZVTJOPXPOES-KXBFYZLASA-N 2 2 379.520 3.670 20 0 GHADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2F)[C@@H](C)C1 ZINC000846060491 902673734 /nfs/dbraw/zinc/67/37/34/902673734.db2.gz NLXZVTJOPXPOES-KXBFYZLASA-N 2 2 379.520 3.670 20 0 GHADLP C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000132142629 903213353 /nfs/dbraw/zinc/21/33/53/903213353.db2.gz NKMNDMBQFCFDMH-AUSIDOKSSA-N 2 2 388.515 3.997 20 0 GHADLP C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000132142629 903213367 /nfs/dbraw/zinc/21/33/67/903213367.db2.gz NKMNDMBQFCFDMH-AUSIDOKSSA-N 2 2 388.515 3.997 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1Br ZINC000132874385 903321471 /nfs/dbraw/zinc/32/14/71/903321471.db2.gz HIWRQGAWQNXSDN-UONOGXRCSA-N 2 2 385.321 3.740 20 0 GHADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264766490 903368400 /nfs/dbraw/zinc/36/84/00/903368400.db2.gz VPTYTOIHGKUEHO-IBGZPJMESA-N 2 2 381.524 3.850 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cncc(Br)c1 ZINC000578144523 903556494 /nfs/dbraw/zinc/55/64/94/903556494.db2.gz WGWQDEGEFIQAMF-GUYCJALGSA-N 2 2 390.329 3.553 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)CC1 ZINC000135267242 903651682 /nfs/dbraw/zinc/65/16/82/903651682.db2.gz YAZFLISHFQEJHX-PXNSSMCTSA-N 2 2 394.531 3.535 20 0 GHADLP Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001146987480 903654217 /nfs/dbraw/zinc/65/42/17/903654217.db2.gz UUXYKGWDELSLIU-UHFFFAOYSA-N 2 2 381.461 3.546 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000779063149 903757044 /nfs/dbraw/zinc/75/70/44/903757044.db2.gz WTZZHXKJWNMIOZ-HKUYNNGSSA-N 2 2 397.604 3.549 20 0 GHADLP Brc1cc(Br)cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000578430110 903836859 /nfs/dbraw/zinc/83/68/59/903836859.db2.gz LPNDHJJVNKZZEW-ZDUSSCGKSA-N 2 2 385.103 3.513 20 0 GHADLP CCN(C(=O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000578700651 904062198 /nfs/dbraw/zinc/06/21/98/904062198.db2.gz AIWFLBKAWMVOIU-SFHVURJKSA-N 2 2 399.510 3.982 20 0 GHADLP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889558205 904642714 /nfs/dbraw/zinc/64/27/14/904642714.db2.gz DLHUXWTXCNMFKY-MEMLXQNLSA-N 2 2 395.551 3.708 20 0 GHADLP Fc1cc2c(c(F)c1F)C[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC001171506793 904784062 /nfs/dbraw/zinc/78/40/62/904784062.db2.gz IBJJDISSJRFLEJ-SFHVURJKSA-N 2 2 390.449 3.583 20 0 GHADLP Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1)CC[NH2+]CC2 ZINC001171605248 904866679 /nfs/dbraw/zinc/86/66/79/904866679.db2.gz JGUAAULVJQRNMZ-APWZRJJASA-N 2 2 390.572 3.866 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)C[C@H]1C(C)(C)C ZINC001171612589 904874870 /nfs/dbraw/zinc/87/48/70/904874870.db2.gz KRYTZOMIOJWKDE-SJORKVTESA-N 2 2 376.545 3.555 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)C[C@H]1C(C)(C)C ZINC001171612589 904874881 /nfs/dbraw/zinc/87/48/81/904874881.db2.gz KRYTZOMIOJWKDE-SJORKVTESA-N 2 2 376.545 3.555 20 0 GHADLP CC[NH+]1CCN(Cc2ccc(C[NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)cc2)CC1 ZINC001171622932 904887789 /nfs/dbraw/zinc/88/77/89/904887789.db2.gz DCKZEOGFXPBCPQ-UHFFFAOYSA-N 3 2 386.628 3.565 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)cc2)CC1 ZINC001171622932 904887799 /nfs/dbraw/zinc/88/77/99/904887799.db2.gz DCKZEOGFXPBCPQ-UHFFFAOYSA-N 3 2 386.628 3.565 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)CC12CCC2 ZINC001171837139 905087644 /nfs/dbraw/zinc/08/76/44/905087644.db2.gz ALHLIFUQSYNBQH-OALUTQOASA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)CC12CCC2 ZINC001171837139 905087666 /nfs/dbraw/zinc/08/76/66/905087666.db2.gz ALHLIFUQSYNBQH-OALUTQOASA-N 2 2 377.573 3.773 20 0 GHADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001171835677 905087850 /nfs/dbraw/zinc/08/78/50/905087850.db2.gz MXGZSQIOCULZMQ-ZWKOTPCHSA-N 2 2 394.441 3.548 20 0 GHADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001171835677 905087864 /nfs/dbraw/zinc/08/78/64/905087864.db2.gz MXGZSQIOCULZMQ-ZWKOTPCHSA-N 2 2 394.441 3.548 20 0 GHADLP CCOC(=O)C1(C)CCC([NH2+]C2CC[NH+](Cc3ccc(OC)cc3)CC2)CC1 ZINC001171935596 905191565 /nfs/dbraw/zinc/19/15/65/905191565.db2.gz DSERMWTZZMWKST-UHFFFAOYSA-N 2 2 388.552 3.761 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171981975 905236290 /nfs/dbraw/zinc/23/62/90/905236290.db2.gz FFZRMOREIFJLGD-LJQANCHMSA-N 2 2 381.520 3.791 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171981975 905236320 /nfs/dbraw/zinc/23/63/20/905236320.db2.gz FFZRMOREIFJLGD-LJQANCHMSA-N 2 2 381.520 3.791 20 0 GHADLP CC1(C)C[C@H]([NH+]2CCN(c3nccc(Cl)n3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171988475 905252934 /nfs/dbraw/zinc/25/29/34/905252934.db2.gz RUQJRAFBOWFILX-LJQANCHMSA-N 2 2 399.970 3.695 20 0 GHADLP CC1(C)C[C@H]([NH+]2CCN(c3nccc(Cl)n3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171988475 905252958 /nfs/dbraw/zinc/25/29/58/905252958.db2.gz RUQJRAFBOWFILX-LJQANCHMSA-N 2 2 399.970 3.695 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]Cc2ccnc(OCC4CC4)n2)C3)cc1 ZINC001172071863 905275051 /nfs/dbraw/zinc/27/50/51/905275051.db2.gz ZXGNQTBZKIJSHY-NUNAXRQHSA-N 2 2 392.547 3.941 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]Cc2ccnc(OCC4CC4)n2)C3)cc1 ZINC001172071863 905275067 /nfs/dbraw/zinc/27/50/67/905275067.db2.gz ZXGNQTBZKIJSHY-NUNAXRQHSA-N 2 2 392.547 3.941 20 0 GHADLP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001172362185 905530032 /nfs/dbraw/zinc/53/00/32/905530032.db2.gz QTJVGOLECVOWAC-FHWLQOOXSA-N 2 2 397.604 3.644 20 0 GHADLP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001172362185 905530043 /nfs/dbraw/zinc/53/00/43/905530043.db2.gz QTJVGOLECVOWAC-FHWLQOOXSA-N 2 2 397.604 3.644 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@H+]2CCc3[nH+]ccn3CC2)CCN1C(=O)OC(C)(C)C ZINC001172645094 905707715 /nfs/dbraw/zinc/70/77/15/905707715.db2.gz CEWAJMURXDMOIF-QZTJIDSGSA-N 2 2 376.545 3.700 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)CCN1C(=O)OC(C)(C)C ZINC001172645094 905707725 /nfs/dbraw/zinc/70/77/25/905707725.db2.gz CEWAJMURXDMOIF-QZTJIDSGSA-N 2 2 376.545 3.700 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCCCC2)CC[C@@H]1F ZINC001206173653 905734917 /nfs/dbraw/zinc/73/49/17/905734917.db2.gz JHDCDVIZEPYKFA-DLBZAZTESA-N 2 2 384.337 3.701 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(Br)cc2N2CCCCC2)CC[C@@H]1F ZINC001206173653 905734924 /nfs/dbraw/zinc/73/49/24/905734924.db2.gz JHDCDVIZEPYKFA-DLBZAZTESA-N 2 2 384.337 3.701 20 0 GHADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001172952174 906057097 /nfs/dbraw/zinc/05/70/97/906057097.db2.gz AGONKTJZVXTNMV-QGZVFWFLSA-N 2 2 376.545 3.533 20 0 GHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173006264 906079773 /nfs/dbraw/zinc/07/97/73/906079773.db2.gz PYEVQAHTTQLWSP-UHFFFAOYSA-N 2 2 392.478 3.748 20 0 GHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173006264 906079783 /nfs/dbraw/zinc/07/97/83/906079783.db2.gz PYEVQAHTTQLWSP-UHFFFAOYSA-N 2 2 392.478 3.748 20 0 GHADLP c1csc(C[N@@H+]2CC[C@H]3C[NH+](C4CCC5(CCOCC5)CC4)CC[C@@H]32)n1 ZINC001173048762 906120790 /nfs/dbraw/zinc/12/07/90/906120790.db2.gz ZVRGRXIRXVJKNT-HKUYNNGSSA-N 2 2 375.582 3.779 20 0 GHADLP c1csc(C[N@H+]2CC[C@H]3C[NH+](C4CCC5(CCOCC5)CC4)CC[C@@H]32)n1 ZINC001173048762 906120805 /nfs/dbraw/zinc/12/08/05/906120805.db2.gz ZVRGRXIRXVJKNT-HKUYNNGSSA-N 2 2 375.582 3.779 20 0 GHADLP c1csc(C[NH+]2CC[C@H]3C[N@@H+](C4CCC5(CCOCC5)CC4)CC[C@@H]32)n1 ZINC001173048762 906120817 /nfs/dbraw/zinc/12/08/17/906120817.db2.gz ZVRGRXIRXVJKNT-HKUYNNGSSA-N 2 2 375.582 3.779 20 0 GHADLP c1csc(C[NH+]2CC[C@H]3C[N@H+](C4CCC5(CCOCC5)CC4)CC[C@@H]32)n1 ZINC001173048762 906120826 /nfs/dbraw/zinc/12/08/26/906120826.db2.gz ZVRGRXIRXVJKNT-HKUYNNGSSA-N 2 2 375.582 3.779 20 0 GHADLP C[C@@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc2ccccc2c1 ZINC000177629860 906184006 /nfs/dbraw/zinc/18/40/06/906184006.db2.gz OCQOZWSGRCQDOP-GOSISDBHSA-N 2 2 379.548 3.618 20 0 GHADLP Brc1ccc2c(C3C[NH+]([C@@H]4CCc5ncsc5C4)C3)[nH+]cn2c1 ZINC001173141746 906229729 /nfs/dbraw/zinc/22/97/29/906229729.db2.gz JOVWDJGYLMHVOT-CYBMUJFWSA-N 2 2 389.322 3.510 20 0 GHADLP c1ccc(OC2CCC([NH+]3C[C@H]4C[N@H+](Cc5ccccn5)C[C@H]4C3)CC2)cc1 ZINC001173200332 906286020 /nfs/dbraw/zinc/28/60/20/906286020.db2.gz LIZBNBZAIIOPDO-BSMMWTMHSA-N 2 2 377.532 3.835 20 0 GHADLP c1ccc(OC2CCC([NH+]3C[C@H]4C[N@@H+](Cc5ccccn5)C[C@H]4C3)CC2)cc1 ZINC001173200332 906286033 /nfs/dbraw/zinc/28/60/33/906286033.db2.gz LIZBNBZAIIOPDO-BSMMWTMHSA-N 2 2 377.532 3.835 20 0 GHADLP c1ccc(OC2CCC([N@H+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)CC2)cc1 ZINC001173200332 906286048 /nfs/dbraw/zinc/28/60/48/906286048.db2.gz LIZBNBZAIIOPDO-BSMMWTMHSA-N 2 2 377.532 3.835 20 0 GHADLP c1ccc(OC2CCC([N@@H+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)CC2)cc1 ZINC001173200332 906286062 /nfs/dbraw/zinc/28/60/62/906286062.db2.gz LIZBNBZAIIOPDO-BSMMWTMHSA-N 2 2 377.532 3.835 20 0 GHADLP CCOC(=O)[C@H]1CC12CCC([NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1)CC2 ZINC001173606350 906558555 /nfs/dbraw/zinc/55/85/55/906558555.db2.gz DUTDNDAJSQTEDS-NIVCPKKUSA-N 2 2 384.564 3.795 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC001173713569 906664373 /nfs/dbraw/zinc/66/43/73/906664373.db2.gz GHSXVRMSAURPJM-SFHVURJKSA-N 2 2 396.531 3.667 20 0 GHADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629541638 906861728 /nfs/dbraw/zinc/86/17/28/906861728.db2.gz SZNYLHYEJGEWRP-MDZLAQPJSA-N 2 2 377.838 3.806 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181589240 907032368 /nfs/dbraw/zinc/03/23/68/907032368.db2.gz NRVLPBMURDPHCC-WOJBJXKFSA-N 3 2 396.579 3.898 20 0 GHADLP Cc1c(-c2cc(C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)on2)cnn1C ZINC000184606467 907619410 /nfs/dbraw/zinc/61/94/10/907619410.db2.gz SZDPVOXNMHNSEK-XLIONFOSSA-N 2 2 393.535 3.868 20 0 GHADLP Cc1c(-c2cc(C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)on2)cnn1C ZINC000184606467 907619420 /nfs/dbraw/zinc/61/94/20/907619420.db2.gz SZDPVOXNMHNSEK-XLIONFOSSA-N 2 2 393.535 3.868 20 0 GHADLP Cc1c(-c2cc(C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)on2)cnn1C ZINC000184606467 907619423 /nfs/dbraw/zinc/61/94/23/907619423.db2.gz SZDPVOXNMHNSEK-XLIONFOSSA-N 2 2 393.535 3.868 20 0 GHADLP Cc1c(-c2cc(C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)on2)cnn1C ZINC000184606467 907619429 /nfs/dbraw/zinc/61/94/29/907619429.db2.gz SZDPVOXNMHNSEK-XLIONFOSSA-N 2 2 393.535 3.868 20 0 GHADLP O=C1Nc2ccccc2S[C@@H]1CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001175678259 907689079 /nfs/dbraw/zinc/68/90/79/907689079.db2.gz OAZZWCJUZUFTGW-UYAOXDASSA-N 2 2 378.501 3.717 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCc4ncccc43)CC2)cc1 ZINC000631631004 907781333 /nfs/dbraw/zinc/78/13/33/907781333.db2.gz GXEQQWRKHFWEME-HSZRJFAPSA-N 2 2 378.520 3.672 20 0 GHADLP Brc1cccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CCOCC2)c1 ZINC000191484822 908631369 /nfs/dbraw/zinc/63/13/69/908631369.db2.gz PKERPJHLCVAKDB-SFHVURJKSA-N 2 2 378.314 3.793 20 0 GHADLP CC(C)OC1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCCCC1 ZINC001177999266 908840894 /nfs/dbraw/zinc/84/08/94/908840894.db2.gz DGXMIVOQHOASHW-UHFFFAOYSA-N 2 2 390.568 3.615 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000718031639 909078807 /nfs/dbraw/zinc/07/88/07/909078807.db2.gz HBUWYYVAOKNCRF-UTKZUKDTSA-N 2 2 387.568 3.742 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000718031639 909078823 /nfs/dbraw/zinc/07/88/23/909078823.db2.gz HBUWYYVAOKNCRF-UTKZUKDTSA-N 2 2 387.568 3.742 20 0 GHADLP Cc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)c(Cl)n1 ZINC001179457516 909537343 /nfs/dbraw/zinc/53/73/43/909537343.db2.gz FXGIEOYHEVZSML-UHFFFAOYSA-N 2 2 383.826 3.716 20 0 GHADLP C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001180051151 909915374 /nfs/dbraw/zinc/91/53/74/909915374.db2.gz BHARSLDJFISHBJ-RDPSFJRHSA-N 2 2 380.532 3.776 20 0 GHADLP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001180051151 909915383 /nfs/dbraw/zinc/91/53/83/909915383.db2.gz BHARSLDJFISHBJ-RDPSFJRHSA-N 2 2 380.532 3.776 20 0 GHADLP C[C@H]([NH2+][C@@H](c1nccn1C)c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268791576 910018995 /nfs/dbraw/zinc/01/89/95/910018995.db2.gz YBLMSQXFTVQKMD-HTAPYJJXSA-N 2 2 396.510 3.940 20 0 GHADLP COc1cccc([C@@H]([NH3+])C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000638073757 910046098 /nfs/dbraw/zinc/04/60/98/910046098.db2.gz GFRSGFZDBZRILM-HXUWFJFHSA-N 2 2 376.460 3.534 20 0 GHADLP CCC1(CC)C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCS1 ZINC001180622695 910251760 /nfs/dbraw/zinc/25/17/60/910251760.db2.gz IIYJQABPPGJLAJ-UHFFFAOYSA-N 2 2 378.582 3.505 20 0 GHADLP CCC1(CC)C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCS1 ZINC001180622695 910251776 /nfs/dbraw/zinc/25/17/76/910251776.db2.gz IIYJQABPPGJLAJ-UHFFFAOYSA-N 2 2 378.582 3.505 20 0 GHADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000269820877 910361617 /nfs/dbraw/zinc/36/16/17/910361617.db2.gz IQTOUPFCUAVAMD-UHFFFAOYSA-N 2 2 380.536 3.660 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000246578121 910385688 /nfs/dbraw/zinc/38/56/88/910385688.db2.gz YKZZMUMXLXERAM-MDASCCDHSA-N 2 2 394.346 3.922 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000246578121 910385705 /nfs/dbraw/zinc/38/57/05/910385705.db2.gz YKZZMUMXLXERAM-MDASCCDHSA-N 2 2 394.346 3.922 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1cc2ccccc2s1 ZINC000247019286 910886933 /nfs/dbraw/zinc/88/69/33/910886933.db2.gz KSAVGQNJVSOCLU-NSISKUIASA-N 2 2 381.545 3.830 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1cc2ccccc2s1 ZINC000247019286 910886937 /nfs/dbraw/zinc/88/69/37/910886937.db2.gz KSAVGQNJVSOCLU-NSISKUIASA-N 2 2 381.545 3.830 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)NCCc1c[nH]c2cc[nH+]cc12)c1ccccc1Cl ZINC001182221333 911313748 /nfs/dbraw/zinc/31/37/48/911313748.db2.gz HTRBWVXITPBKJC-HXUWFJFHSA-N 2 2 384.911 3.958 20 0 GHADLP COc1ccc([C@@H]([NH2+]CCC[NH+](C)C)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000774112698 911399809 /nfs/dbraw/zinc/39/98/09/911399809.db2.gz SLKHVPLEQSVKHI-VQTJNVASSA-N 2 2 391.556 3.677 20 0 GHADLP COc1cccc2cc(C[N@H+](C)C3CC[NH+](CCc4ccccn4)CC3)oc21 ZINC000092645198 911674111 /nfs/dbraw/zinc/67/41/11/911674111.db2.gz XRAANSGUZGNLGY-UHFFFAOYSA-N 2 2 379.504 3.975 20 0 GHADLP COc1cccc2cc(C[N@@H+](C)C3CC[NH+](CCc4ccccn4)CC3)oc21 ZINC000092645198 911674122 /nfs/dbraw/zinc/67/41/22/911674122.db2.gz XRAANSGUZGNLGY-UHFFFAOYSA-N 2 2 379.504 3.975 20 0 GHADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001183030725 912205812 /nfs/dbraw/zinc/20/58/12/912205812.db2.gz PZTDYTHNNKBGRO-JTSKRJEESA-N 2 2 392.503 3.797 20 0 GHADLP OCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000647330409 915155791 /nfs/dbraw/zinc/15/57/91/915155791.db2.gz IPSSKMJJNGDJKC-GOSISDBHSA-N 2 2 395.425 3.662 20 0 GHADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000647881192 915425461 /nfs/dbraw/zinc/42/54/61/915425461.db2.gz PIUSSDPYZOXYFU-ZCNNSNEGSA-N 2 2 389.337 3.517 20 0 GHADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000647881192 915425471 /nfs/dbraw/zinc/42/54/71/915425471.db2.gz PIUSSDPYZOXYFU-ZCNNSNEGSA-N 2 2 389.337 3.517 20 0 GHADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000647956628 915452786 /nfs/dbraw/zinc/45/27/86/915452786.db2.gz QYZWJXDSYSVWNL-UYAOXDASSA-N 2 2 396.362 3.732 20 0 GHADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000647956628 915452795 /nfs/dbraw/zinc/45/27/95/915452795.db2.gz QYZWJXDSYSVWNL-UYAOXDASSA-N 2 2 396.362 3.732 20 0 GHADLP CCCc1ccc(CCCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000648756692 915865416 /nfs/dbraw/zinc/86/54/16/915865416.db2.gz IPBGATURGPBUIO-UHFFFAOYSA-N 2 2 385.596 3.637 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000648874341 915918923 /nfs/dbraw/zinc/91/89/23/915918923.db2.gz JONVDEIIEZQHER-ZDUSSCGKSA-N 2 2 393.329 3.859 20 0 GHADLP Fc1ccc(CC2([NH2+]CCCn3cc[nH+]c3)CCOCC2)c(Br)c1 ZINC000293637565 916305918 /nfs/dbraw/zinc/30/59/18/916305918.db2.gz RNQWXMWWRZKUFO-UHFFFAOYSA-N 2 2 396.304 3.556 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OCc1cccnc1 ZINC000293775872 916376598 /nfs/dbraw/zinc/37/65/98/916376598.db2.gz YWZJKWNERJNWIZ-HSZRJFAPSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OCc1cccnc1 ZINC000293775872 916376619 /nfs/dbraw/zinc/37/66/19/916376619.db2.gz YWZJKWNERJNWIZ-HSZRJFAPSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1OCc1cccnc1 ZINC000293775872 916376637 /nfs/dbraw/zinc/37/66/37/916376637.db2.gz YWZJKWNERJNWIZ-HSZRJFAPSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1OCc1cccnc1 ZINC000293775872 916376652 /nfs/dbraw/zinc/37/66/52/916376652.db2.gz YWZJKWNERJNWIZ-HSZRJFAPSA-N 2 2 381.520 3.587 20 0 GHADLP Fc1ccc([C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c2nnc[nH]2)cc1 ZINC000293934626 916479075 /nfs/dbraw/zinc/47/90/75/916479075.db2.gz YFLNJRBPFMANFP-NRFANRHFSA-N 2 2 379.483 3.535 20 0 GHADLP c1c(Cc2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)[nH+]c2n1CCCC2 ZINC000650212359 916805327 /nfs/dbraw/zinc/80/53/27/916805327.db2.gz VGIFZQACKMKVLQ-UHFFFAOYSA-N 2 2 377.492 3.846 20 0 GHADLP c1nc(CC[NH+]2CCCC3(CCC[N@@H+](CCc4cscn4)C3)C2)cs1 ZINC000295229890 917216530 /nfs/dbraw/zinc/21/65/30/917216530.db2.gz SNXQAATYTXGNNJ-UHFFFAOYSA-N 2 2 376.595 3.563 20 0 GHADLP c1nc(CC[NH+]2CCCC3(CCC[N@H+](CCc4cscn4)C3)C2)cs1 ZINC000295229890 917216542 /nfs/dbraw/zinc/21/65/42/917216542.db2.gz SNXQAATYTXGNNJ-UHFFFAOYSA-N 2 2 376.595 3.563 20 0 GHADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000363065866 917713279 /nfs/dbraw/zinc/71/32/79/917713279.db2.gz HDNGQUNUMDSZGD-CQSZACIVSA-N 2 2 394.441 3.788 20 0 GHADLP CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H](COC)Cc1ccccc1 ZINC001191455401 918024871 /nfs/dbraw/zinc/02/48/71/918024871.db2.gz ZYICCYBPFLDJNY-DEOSSOPVSA-N 2 2 382.548 3.598 20 0 GHADLP CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H](COC)Cc1ccccc1 ZINC001191455401 918024887 /nfs/dbraw/zinc/02/48/87/918024887.db2.gz ZYICCYBPFLDJNY-DEOSSOPVSA-N 2 2 382.548 3.598 20 0 GHADLP Cc1cc(C)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(OCc2ccccc2)n1 ZINC001192234855 918558781 /nfs/dbraw/zinc/55/87/81/918558781.db2.gz VTEXDRSJYIVXLT-UHFFFAOYSA-N 2 2 388.515 3.995 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000363786633 918858807 /nfs/dbraw/zinc/85/88/07/918858807.db2.gz RMRFQMXLZJLSSZ-FQEVSTJZSA-N 2 2 380.536 3.501 20 0 GHADLP Cc1c2ccccc2oc1[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364595037 919708460 /nfs/dbraw/zinc/70/84/60/919708460.db2.gz YYAUNUMXOHCEGE-HKUYNNGSSA-N 2 2 398.551 3.612 20 0 GHADLP Cc1c2ccccc2oc1[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364595037 919708534 /nfs/dbraw/zinc/70/85/34/919708534.db2.gz YYAUNUMXOHCEGE-HKUYNNGSSA-N 2 2 398.551 3.612 20 0 GHADLP O[C@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1Cl ZINC000800403374 920034121 /nfs/dbraw/zinc/03/41/21/920034121.db2.gz KFCWNAMHPRLCFW-AUUYWEPGSA-N 2 2 377.891 3.925 20 0 GHADLP O[C@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1Cl ZINC000800403374 920034130 /nfs/dbraw/zinc/03/41/30/920034130.db2.gz KFCWNAMHPRLCFW-AUUYWEPGSA-N 2 2 377.891 3.925 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1nc(Br)cs1 ZINC000902502060 922241234 /nfs/dbraw/zinc/24/12/34/922241234.db2.gz LIRKZQUAIFLQGR-XTQGRXLLSA-N 2 2 394.338 3.812 20 0 GHADLP CC(C)(C)OC(=O)NCCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000902964792 922651996 /nfs/dbraw/zinc/65/19/96/922651996.db2.gz YINPRBFJBHZWJJ-MOPGFXCFSA-N 2 2 384.524 3.834 20 0 GHADLP CC(C)c1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677528209 924389266 /nfs/dbraw/zinc/38/92/66/924389266.db2.gz NCIKQNNLQFGVNN-GGAORHGYSA-N 2 2 398.595 3.825 20 0 GHADLP CC(C)c1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677528209 924389275 /nfs/dbraw/zinc/38/92/75/924389275.db2.gz NCIKQNNLQFGVNN-GGAORHGYSA-N 2 2 398.595 3.825 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(-c2ccco2)on1 ZINC000371150382 924450542 /nfs/dbraw/zinc/45/05/42/924450542.db2.gz DTNCSFLYQVROML-UHFFFAOYSA-N 3 2 386.540 3.563 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(-c2ccco2)on1 ZINC000371150382 924450546 /nfs/dbraw/zinc/45/05/46/924450546.db2.gz DTNCSFLYQVROML-UHFFFAOYSA-N 3 2 386.540 3.563 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3ncccc3C(F)(F)F)[nH+]c2)CC1 ZINC000677965324 924563176 /nfs/dbraw/zinc/56/31/76/924563176.db2.gz ZMORISIQKUERBD-UHFFFAOYSA-N 2 2 379.430 3.638 20 0 GHADLP c1ccc2c(c1)n[nH]c2C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001137346411 924897647 /nfs/dbraw/zinc/89/76/47/924897647.db2.gz WRHPLBWGVZCTQD-RDPSFJRHSA-N 2 2 394.563 3.523 20 0 GHADLP c1ccc2c(c1)n[nH]c2C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001137346411 924897655 /nfs/dbraw/zinc/89/76/55/924897655.db2.gz WRHPLBWGVZCTQD-RDPSFJRHSA-N 2 2 394.563 3.523 20 0 GHADLP c1ccc2c(c1)n[nH]c2C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001137346411 924897658 /nfs/dbraw/zinc/89/76/58/924897658.db2.gz WRHPLBWGVZCTQD-RDPSFJRHSA-N 2 2 394.563 3.523 20 0 GHADLP c1ccc2c(c1)n[nH]c2C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001137346411 924897665 /nfs/dbraw/zinc/89/76/65/924897665.db2.gz WRHPLBWGVZCTQD-RDPSFJRHSA-N 2 2 394.563 3.523 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000678794271 924925054 /nfs/dbraw/zinc/92/50/54/924925054.db2.gz FTEJZTBFANXNMY-NTKDMRAZSA-N 2 2 375.516 3.892 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000678794271 924925068 /nfs/dbraw/zinc/92/50/68/924925068.db2.gz FTEJZTBFANXNMY-NTKDMRAZSA-N 2 2 375.516 3.892 20 0 GHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679116196 925033983 /nfs/dbraw/zinc/03/39/83/925033983.db2.gz OSMYABDEUYIFHY-IPMKNSEASA-N 2 2 381.923 3.603 20 0 GHADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679116196 925033991 /nfs/dbraw/zinc/03/39/91/925033991.db2.gz OSMYABDEUYIFHY-IPMKNSEASA-N 2 2 381.923 3.603 20 0 GHADLP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679116196 925034003 /nfs/dbraw/zinc/03/40/03/925034003.db2.gz OSMYABDEUYIFHY-IPMKNSEASA-N 2 2 381.923 3.603 20 0 GHADLP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679116196 925034005 /nfs/dbraw/zinc/03/40/05/925034005.db2.gz OSMYABDEUYIFHY-IPMKNSEASA-N 2 2 381.923 3.603 20 0 GHADLP CN(C)C(=O)[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000680036959 925337639 /nfs/dbraw/zinc/33/76/39/925337639.db2.gz CASYQYFHLAJEFE-UEQSERJNSA-N 2 2 391.559 3.706 20 0 GHADLP CN(C)C(=O)[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000680036959 925337649 /nfs/dbraw/zinc/33/76/49/925337649.db2.gz CASYQYFHLAJEFE-UEQSERJNSA-N 2 2 391.559 3.706 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC(C)(C)Cc3ccc(Cl)cc3)C2)CC1 ZINC000682160313 926030230 /nfs/dbraw/zinc/03/02/30/926030230.db2.gz VUDZWHDTSFIFHM-LJQANCHMSA-N 2 2 391.987 3.584 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC(C)(C)Cc3ccc(Cl)cc3)C2)CC1 ZINC000682160313 926030240 /nfs/dbraw/zinc/03/02/40/926030240.db2.gz VUDZWHDTSFIFHM-LJQANCHMSA-N 2 2 391.987 3.584 20 0 GHADLP CS(=O)(=O)C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000411470371 926429362 /nfs/dbraw/zinc/42/93/62/926429362.db2.gz BZFLQVBOYIIGAL-JOCHJYFZSA-N 2 2 386.561 3.548 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000374424023 927125821 /nfs/dbraw/zinc/12/58/21/927125821.db2.gz YCZNGZQSQIIZID-NSISKUIASA-N 2 2 375.900 3.679 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000374424023 927125835 /nfs/dbraw/zinc/12/58/35/927125835.db2.gz YCZNGZQSQIIZID-NSISKUIASA-N 2 2 375.900 3.679 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751083909 928019906 /nfs/dbraw/zinc/01/99/06/928019906.db2.gz BXZAMMXFXHTEQQ-UHFFFAOYSA-N 2 2 399.514 3.608 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543990235 928656184 /nfs/dbraw/zinc/65/61/84/928656184.db2.gz XCEMAMIRVCYAHN-HXUWFJFHSA-N 2 2 382.552 3.731 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC[NH+]1CCCC1 ZINC000544039585 928722378 /nfs/dbraw/zinc/72/23/78/928722378.db2.gz MXFFEUIHJLKFPJ-LBPRGKRZSA-N 2 2 377.838 3.761 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)C1 ZINC000753545838 929404374 /nfs/dbraw/zinc/40/43/74/929404374.db2.gz WFGRLOGOXJWNMP-MRXNPFEDSA-N 2 2 388.537 3.908 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)C1 ZINC000753545838 929404379 /nfs/dbraw/zinc/40/43/79/929404379.db2.gz WFGRLOGOXJWNMP-MRXNPFEDSA-N 2 2 388.537 3.908 20 0 GHADLP COc1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(c3ccc([NH+](C)C)cc3)CC1)C2 ZINC000753574734 929426555 /nfs/dbraw/zinc/42/65/55/929426555.db2.gz FXSVZSZSVQJXOK-OAQYLSRUSA-N 2 2 379.548 3.877 20 0 GHADLP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1C ZINC000753641337 929457031 /nfs/dbraw/zinc/45/70/31/929457031.db2.gz VPRNUBOSYNLGRL-HXUWFJFHSA-N 2 2 398.547 3.874 20 0 GHADLP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000467937842 929613647 /nfs/dbraw/zinc/61/36/47/929613647.db2.gz LAFRKKFARNJENB-DAXSKMNVSA-N 2 2 398.510 3.718 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000545912946 929668887 /nfs/dbraw/zinc/66/88/87/929668887.db2.gz MJGCHBZVMIFAMI-QHCPKHFHSA-N 2 2 380.532 3.978 20 0 GHADLP CCCn1c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc2ccccc21 ZINC000469418605 929868638 /nfs/dbraw/zinc/86/86/38/929868638.db2.gz TUGRGKHNWQEIQM-UHFFFAOYSA-N 2 2 396.579 3.731 20 0 GHADLP Cc1cc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)ccc1OCC[NH+]1CCCC1 ZINC000469880712 930231652 /nfs/dbraw/zinc/23/16/52/930231652.db2.gz RHRINZMALJSSNQ-JOCHJYFZSA-N 2 2 393.531 3.683 20 0 GHADLP Cc1cc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)ccc1OCC[NH+]1CCCC1 ZINC000469880712 930231657 /nfs/dbraw/zinc/23/16/57/930231657.db2.gz RHRINZMALJSSNQ-JOCHJYFZSA-N 2 2 393.531 3.683 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(OC)cc3)cc2)CC1 ZINC000546619595 930300990 /nfs/dbraw/zinc/30/09/90/930300990.db2.gz GCEAYUOYJPIXDZ-UHFFFAOYSA-N 2 2 396.531 3.869 20 0 GHADLP C[C@H]1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000759576313 930409748 /nfs/dbraw/zinc/40/97/48/930409748.db2.gz SJSHJQRJZCSAND-RXVVDRJESA-N 2 2 387.572 3.520 20 0 GHADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cc(Cl)nc4ccccc34)CC2)CC1 ZINC000782515453 931250751 /nfs/dbraw/zinc/25/07/51/931250751.db2.gz AVWJDKQBABHGMD-UHFFFAOYSA-N 2 2 386.971 3.879 20 0 GHADLP C[N@H+](Cc1cc(Cl)nc2ccccc12)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000782550705 931266881 /nfs/dbraw/zinc/26/68/81/931266881.db2.gz GDAMICMAFHSBIM-QHCPKHFHSA-N 2 2 395.934 3.957 20 0 GHADLP C[N@@H+](Cc1cc(Cl)nc2ccccc12)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000782550705 931266899 /nfs/dbraw/zinc/26/68/99/931266899.db2.gz GDAMICMAFHSBIM-QHCPKHFHSA-N 2 2 395.934 3.957 20 0 GHADLP C[NH+](Cc1cc(Cl)nc2ccccc12)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000782550705 931266905 /nfs/dbraw/zinc/26/69/05/931266905.db2.gz GDAMICMAFHSBIM-QHCPKHFHSA-N 2 2 395.934 3.957 20 0 GHADLP C[NH+](Cc1cc(Cl)nc2ccccc12)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000782550705 931266911 /nfs/dbraw/zinc/26/69/11/931266911.db2.gz GDAMICMAFHSBIM-QHCPKHFHSA-N 2 2 395.934 3.957 20 0 GHADLP CC[C@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000557417377 931414479 /nfs/dbraw/zinc/41/44/79/931414479.db2.gz CWTYCFUSTNFTKZ-LPHOPBHVSA-N 2 2 386.927 3.513 20 0 GHADLP CN(C(=O)c1coc(C(F)F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000626262177 931791128 /nfs/dbraw/zinc/79/11/28/931791128.db2.gz XUSUESYARBSMDV-DLBZAZTESA-N 2 2 383.483 3.626 20 0 GHADLP CN(C(=O)c1coc(C(F)F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000626262177 931791131 /nfs/dbraw/zinc/79/11/31/931791131.db2.gz XUSUESYARBSMDV-DLBZAZTESA-N 2 2 383.483 3.626 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796718335 932042490 /nfs/dbraw/zinc/04/24/90/932042490.db2.gz VKJVQBSEZVVPOK-INIZCTEOSA-N 2 2 393.491 3.887 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccc1-n1ccnn1 ZINC000796786632 932067689 /nfs/dbraw/zinc/06/76/89/932067689.db2.gz MIKJQGUSDLAJFV-SFHVURJKSA-N 2 2 390.535 3.653 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796811268 932076055 /nfs/dbraw/zinc/07/60/55/932076055.db2.gz NLVNOCNOKVYCSL-HNNXBMFYSA-N 2 2 376.545 3.764 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC001116042768 933301809 /nfs/dbraw/zinc/30/18/09/933301809.db2.gz ILFLIXDYWUXILJ-QHCPKHFHSA-N 2 2 388.515 3.852 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC001116042768 933301819 /nfs/dbraw/zinc/30/18/19/933301819.db2.gz ILFLIXDYWUXILJ-QHCPKHFHSA-N 2 2 388.515 3.852 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)c(C)c1 ZINC000560546010 933332274 /nfs/dbraw/zinc/33/22/74/933332274.db2.gz PAOFCCOQXYAKOV-UWJYYQICSA-N 2 2 390.487 3.923 20 0 GHADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000560548399 933333241 /nfs/dbraw/zinc/33/32/41/933333241.db2.gz HLZTYNQLUHIWLK-FDDCHVKYSA-N 2 2 375.520 3.829 20 0 GHADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000560548399 933333249 /nfs/dbraw/zinc/33/32/49/933333249.db2.gz HLZTYNQLUHIWLK-FDDCHVKYSA-N 2 2 375.520 3.829 20 0 GHADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001117997478 934075532 /nfs/dbraw/zinc/07/55/32/934075532.db2.gz LRDQNGZWSNWESB-QGZVFWFLSA-N 2 2 387.955 3.947 20 0 GHADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000561407018 934132250 /nfs/dbraw/zinc/13/22/50/934132250.db2.gz BTXBLASZHGATRT-JOCHJYFZSA-N 2 2 388.515 3.526 20 0 GHADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000561407018 934132253 /nfs/dbraw/zinc/13/22/53/934132253.db2.gz BTXBLASZHGATRT-JOCHJYFZSA-N 2 2 388.515 3.526 20 0 GHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000561782260 934450716 /nfs/dbraw/zinc/45/07/16/934450716.db2.gz MLQQLJYTFWOMPW-MLOZMYIXSA-N 2 2 394.563 3.527 20 0 GHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000561782260 934450717 /nfs/dbraw/zinc/45/07/17/934450717.db2.gz MLQQLJYTFWOMPW-MLOZMYIXSA-N 2 2 394.563 3.527 20 0 GHADLP C[NH+](C)C1(C)CC[NH+](CC(C[NH+]2CCC(C)([NH+](C)C)CC2)C2CCCC2)CC1 ZINC000931355465 934518412 /nfs/dbraw/zinc/51/84/12/934518412.db2.gz RUMVJIHHRUVZQL-UHFFFAOYSA-N 4 2 392.676 3.625 20 0 GHADLP O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001220753514 1032101461 /nfs/dbraw/zinc/10/14/61/1032101461.db2.gz KZDUWMLHBRGWRT-OAQYLSRUSA-N 2 2 395.551 3.628 20 0 GHADLP O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001220753514 1032101475 /nfs/dbraw/zinc/10/14/75/1032101475.db2.gz KZDUWMLHBRGWRT-OAQYLSRUSA-N 2 2 395.551 3.628 20 0 GHADLP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000468669503 1015889415 /nfs/dbraw/zinc/88/94/15/1015889415.db2.gz AEIOQXRFTDNNIG-MOPGFXCFSA-N 2 2 398.954 3.598 20 0 GHADLP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000468669503 1015889424 /nfs/dbraw/zinc/88/94/24/1015889424.db2.gz AEIOQXRFTDNNIG-MOPGFXCFSA-N 2 2 398.954 3.598 20 0 GHADLP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000468898320 1016184237 /nfs/dbraw/zinc/18/42/37/1016184237.db2.gz ISXXIRMKWJITGB-ROUUACIJSA-N 2 2 384.524 3.645 20 0 GHADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)C1 ZINC000545866198 1016545040 /nfs/dbraw/zinc/54/50/40/1016545040.db2.gz SDIWUJWGMXNAGT-QUCCMNQESA-N 2 2 396.865 3.687 20 0 GHADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)C1 ZINC000545866198 1016545055 /nfs/dbraw/zinc/54/50/55/1016545055.db2.gz SDIWUJWGMXNAGT-QUCCMNQESA-N 2 2 396.865 3.687 20 0 GHADLP CCc1csc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000557705839 1017032093 /nfs/dbraw/zinc/03/20/93/1017032093.db2.gz YCYAETSSACGSOH-ROUUACIJSA-N 2 2 393.601 3.506 20 0 GHADLP CCc1csc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000557705839 1017032104 /nfs/dbraw/zinc/03/21/04/1017032104.db2.gz YCYAETSSACGSOH-ROUUACIJSA-N 2 2 393.601 3.506 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N[C@H](C[NH3+])c1cccc(OC)c1)c1ccccc1Cl ZINC001221403289 1032399984 /nfs/dbraw/zinc/39/99/84/1032399984.db2.gz AZTGEBAVWAWXJG-WOJBJXKFSA-N 2 2 389.927 3.548 20 0 GHADLP CCOc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)ccc1OC ZINC001204185659 1032638767 /nfs/dbraw/zinc/63/87/67/1032638767.db2.gz NQEINRBPLHUKFR-SZPZYZBQSA-N 2 2 380.532 3.966 20 0 GHADLP CCOc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)ccc1OC ZINC001204185659 1032638779 /nfs/dbraw/zinc/63/87/79/1032638779.db2.gz NQEINRBPLHUKFR-SZPZYZBQSA-N 2 2 380.532 3.966 20 0 GHADLP CCOc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)ccc1OC ZINC001204185659 1032638794 /nfs/dbraw/zinc/63/87/94/1032638794.db2.gz NQEINRBPLHUKFR-SZPZYZBQSA-N 2 2 380.532 3.966 20 0 GHADLP CCOc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)ccc1OC ZINC001204185659 1032638805 /nfs/dbraw/zinc/63/88/05/1032638805.db2.gz NQEINRBPLHUKFR-SZPZYZBQSA-N 2 2 380.532 3.966 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)NCc3ccccc3)C2)s1 ZINC000558396138 1017191601 /nfs/dbraw/zinc/19/16/01/1017191601.db2.gz FDHPWCITRPUNGL-AZUAARDMSA-N 2 2 385.577 3.515 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)NCc3ccccc3)C2)s1 ZINC000558396138 1017191612 /nfs/dbraw/zinc/19/16/12/1017191612.db2.gz FDHPWCITRPUNGL-AZUAARDMSA-N 2 2 385.577 3.515 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NCc3ccccc3)C2)s1 ZINC000558396138 1017191622 /nfs/dbraw/zinc/19/16/22/1017191622.db2.gz FDHPWCITRPUNGL-AZUAARDMSA-N 2 2 385.577 3.515 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NCc3ccccc3)C2)s1 ZINC000558396138 1017191631 /nfs/dbraw/zinc/19/16/31/1017191631.db2.gz FDHPWCITRPUNGL-AZUAARDMSA-N 2 2 385.577 3.515 20 0 GHADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000560447520 1017630469 /nfs/dbraw/zinc/63/04/69/1017630469.db2.gz WNNQQEXGTBGKNO-VGOFRKELSA-N 2 2 393.535 3.541 20 0 GHADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000562902490 1018782219 /nfs/dbraw/zinc/78/22/19/1018782219.db2.gz WPIYGQUKROGRPS-UYAOXDASSA-N 2 2 392.469 3.866 20 0 GHADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000562902490 1018782236 /nfs/dbraw/zinc/78/22/36/1018782236.db2.gz WPIYGQUKROGRPS-UYAOXDASSA-N 2 2 392.469 3.866 20 0 GHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000562902490 1018782240 /nfs/dbraw/zinc/78/22/40/1018782240.db2.gz WPIYGQUKROGRPS-UYAOXDASSA-N 2 2 392.469 3.866 20 0 GHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000562902490 1018782251 /nfs/dbraw/zinc/78/22/51/1018782251.db2.gz WPIYGQUKROGRPS-UYAOXDASSA-N 2 2 392.469 3.866 20 0 GHADLP Fc1cc(C(F)(F)F)c(F)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000565707532 1019197638 /nfs/dbraw/zinc/19/76/38/1019197638.db2.gz DYYDVXQDFCPREQ-UHFFFAOYSA-N 2 2 378.385 3.528 20 0 GHADLP COc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2-c1cc(N2CCCCC2)[nH+]cn1 ZINC001156019492 1032844629 /nfs/dbraw/zinc/84/46/29/1032844629.db2.gz VMSFAUAHHIJFNN-UHFFFAOYSA-N 2 2 391.519 3.886 20 0 GHADLP C[C@@H](Nc1cccc(N2CC[NH+](C)CC2)[nH+]1)c1ccc(Br)s1 ZINC001156100033 1032876874 /nfs/dbraw/zinc/87/68/74/1032876874.db2.gz QEVJHCYJUVSWBO-GFCCVEGCSA-N 2 2 381.343 3.831 20 0 GHADLP COCc1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000191840544 1020820910 /nfs/dbraw/zinc/82/09/10/1020820910.db2.gz UZAFACPPDNDHPY-CVDCTZTESA-N 2 2 398.547 3.783 20 0 GHADLP COCc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000191840544 1020820922 /nfs/dbraw/zinc/82/09/22/1020820922.db2.gz UZAFACPPDNDHPY-CVDCTZTESA-N 2 2 398.547 3.783 20 0 GHADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)NCCC(c1ccccc1)c1ccccc1 ZINC000647814174 1021150483 /nfs/dbraw/zinc/15/04/83/1021150483.db2.gz AXKNRFFGLDDSPY-UHFFFAOYSA-N 2 2 391.559 3.541 20 0 GHADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)NCCC(c1ccccc1)c1ccccc1 ZINC000647814174 1021150487 /nfs/dbraw/zinc/15/04/87/1021150487.db2.gz AXKNRFFGLDDSPY-UHFFFAOYSA-N 2 2 391.559 3.541 20 0 GHADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000647814833 1021151055 /nfs/dbraw/zinc/15/10/55/1021151055.db2.gz ICHMBAJGKFRAKD-IBGZPJMESA-N 2 2 396.362 3.873 20 0 GHADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000647814833 1021151059 /nfs/dbraw/zinc/15/10/59/1021151059.db2.gz ICHMBAJGKFRAKD-IBGZPJMESA-N 2 2 396.362 3.873 20 0 GHADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834515055 1021237377 /nfs/dbraw/zinc/23/73/77/1021237377.db2.gz ZBRRSCVFEPETLV-RBUKOAKNSA-N 2 2 388.556 3.818 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000834774490 1021461195 /nfs/dbraw/zinc/46/11/95/1021461195.db2.gz PRYRSRDKRXXCCZ-IRFCIJBXSA-N 2 2 396.535 3.928 20 0 GHADLP Fc1ccccc1-c1ncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001140399891 1021565199 /nfs/dbraw/zinc/56/51/99/1021565199.db2.gz LHUBDWVGIQNGQU-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccccc1-c1ncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001140399891 1021565211 /nfs/dbraw/zinc/56/52/11/1021565211.db2.gz LHUBDWVGIQNGQU-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccccc1-c1ncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001140399891 1021565233 /nfs/dbraw/zinc/56/52/33/1021565233.db2.gz LHUBDWVGIQNGQU-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccccc1-c1ncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001140399891 1021565248 /nfs/dbraw/zinc/56/52/48/1021565248.db2.gz LHUBDWVGIQNGQU-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC001228627667 1033017650 /nfs/dbraw/zinc/01/76/50/1033017650.db2.gz ODJCKNZTVRDWPL-LRQRDZAKSA-N 2 2 398.576 3.617 20 0 GHADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC001228627667 1033017664 /nfs/dbraw/zinc/01/76/64/1033017664.db2.gz ODJCKNZTVRDWPL-LRQRDZAKSA-N 2 2 398.576 3.617 20 0 GHADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001228627667 1033017672 /nfs/dbraw/zinc/01/76/72/1033017672.db2.gz ODJCKNZTVRDWPL-LRQRDZAKSA-N 2 2 398.576 3.617 20 0 GHADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001228627667 1033017682 /nfs/dbraw/zinc/01/76/82/1033017682.db2.gz ODJCKNZTVRDWPL-LRQRDZAKSA-N 2 2 398.576 3.617 20 0 GHADLP C[C@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000835288520 1022006816 /nfs/dbraw/zinc/00/68/16/1022006816.db2.gz ZASWZNXSXOPHAU-WMZHIEFXSA-N 2 2 389.499 3.999 20 0 GHADLP C[C@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000835288520 1022006826 /nfs/dbraw/zinc/00/68/26/1022006826.db2.gz ZASWZNXSXOPHAU-WMZHIEFXSA-N 2 2 389.499 3.999 20 0 GHADLP CN(C(=O)N[C@H]1CCCC[C@H]1c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681212133 1022267124 /nfs/dbraw/zinc/26/71/24/1022267124.db2.gz NESFDYQQEGVSNI-VABKMULXSA-N 2 2 398.595 3.523 20 0 GHADLP CN(C(=O)N[C@H]1CCCC[C@H]1c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681212133 1022267129 /nfs/dbraw/zinc/26/71/29/1022267129.db2.gz NESFDYQQEGVSNI-VABKMULXSA-N 2 2 398.595 3.523 20 0 GHADLP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC000681552033 1022304812 /nfs/dbraw/zinc/30/48/12/1022304812.db2.gz RBIGOZPCDLXTJJ-HXUWFJFHSA-N 2 2 380.536 3.526 20 0 GHADLP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC000681552033 1022304827 /nfs/dbraw/zinc/30/48/27/1022304827.db2.gz RBIGOZPCDLXTJJ-HXUWFJFHSA-N 2 2 380.536 3.526 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC(C)(C)CC3CCCCCC3)C2)CC1 ZINC000681967666 1022342301 /nfs/dbraw/zinc/34/23/01/1022342301.db2.gz KZQUPFHAKCQUGN-IBGZPJMESA-N 2 2 378.605 3.593 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC(C)(C)CC3CCCCCC3)C2)CC1 ZINC000681967666 1022342320 /nfs/dbraw/zinc/34/23/20/1022342320.db2.gz KZQUPFHAKCQUGN-IBGZPJMESA-N 2 2 378.605 3.593 20 0 GHADLP C[N@@H+]1CCCC[C@@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC001204718783 1033044786 /nfs/dbraw/zinc/04/47/86/1033044786.db2.gz PZJGLCFHKUQPLW-KRWDZBQOSA-N 2 2 381.524 3.740 20 0 GHADLP C[N@H+]1CCCC[C@@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC001204718783 1033044799 /nfs/dbraw/zinc/04/47/99/1033044799.db2.gz PZJGLCFHKUQPLW-KRWDZBQOSA-N 2 2 381.524 3.740 20 0 GHADLP FC(F)(F)c1ccc(N2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)nc1Cl ZINC001140802808 1022571077 /nfs/dbraw/zinc/57/10/77/1022571077.db2.gz FIGBOMQQAJLLDZ-UHFFFAOYSA-N 2 2 395.816 3.952 20 0 GHADLP Cc1cccc(N2CCC[C@]3(C2)C[N@H+](Cc2c[nH]c4cc[nH+]cc24)CCO3)c1 ZINC001140802681 1022571401 /nfs/dbraw/zinc/57/14/01/1022571401.db2.gz AUSLLLFCSCGTCA-HSZRJFAPSA-N 2 2 376.504 3.743 20 0 GHADLP Cc1cccc(N2CCC[C@]3(C2)C[N@@H+](Cc2c[nH]c4cc[nH+]cc24)CCO3)c1 ZINC001140802681 1022571410 /nfs/dbraw/zinc/57/14/10/1022571410.db2.gz AUSLLLFCSCGTCA-HSZRJFAPSA-N 2 2 376.504 3.743 20 0 GHADLP C[C@H]1CN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001140896736 1022826504 /nfs/dbraw/zinc/82/65/04/1022826504.db2.gz YTOZWIXBVZUYNN-XMSQKQJNSA-N 2 2 399.966 3.923 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc5ncccc5c4)CC3)C2)co1 ZINC001138107274 1024117072 /nfs/dbraw/zinc/11/70/72/1024117072.db2.gz OHLVQAUMXVIRSQ-UHFFFAOYSA-N 2 2 377.488 3.695 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5ncccc5c4)CC3)C2)co1 ZINC001138107274 1024117082 /nfs/dbraw/zinc/11/70/82/1024117082.db2.gz OHLVQAUMXVIRSQ-UHFFFAOYSA-N 2 2 377.488 3.695 20 0 GHADLP Fc1ccc(-c2cccc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001141207218 1024130962 /nfs/dbraw/zinc/13/09/62/1024130962.db2.gz SSULJGGUHFXZOO-SFTDATJTSA-N 2 2 388.490 3.847 20 0 GHADLP [NH3+]CC1CC[NH+](Cc2c(Br)cc(F)cc2Br)CC1 ZINC001205033802 1033221854 /nfs/dbraw/zinc/22/18/54/1033221854.db2.gz UDPDYSHUJNWYMQ-UHFFFAOYSA-N 2 2 380.099 3.521 20 0 GHADLP COc1c(C)cc(C[NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)cc1C ZINC001138428568 1024826417 /nfs/dbraw/zinc/82/64/17/1024826417.db2.gz KCBJOPXLPACORR-UHFFFAOYSA-N 2 2 382.552 3.676 20 0 GHADLP COc1c(C)cc(C[NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)cc1C ZINC001138428568 1024826440 /nfs/dbraw/zinc/82/64/40/1024826440.db2.gz KCBJOPXLPACORR-UHFFFAOYSA-N 2 2 382.552 3.676 20 0 GHADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC001202861074 1025277793 /nfs/dbraw/zinc/27/77/93/1025277793.db2.gz YGLFJLJXETXDDV-FYYLOGMGSA-N 2 2 390.531 3.703 20 0 GHADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC001202861074 1025277801 /nfs/dbraw/zinc/27/78/01/1025277801.db2.gz YGLFJLJXETXDDV-FYYLOGMGSA-N 2 2 390.531 3.703 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4cnn(Cc5ccccc5)c4)C[C@@H]3C2)c1 ZINC001138764792 1025326812 /nfs/dbraw/zinc/32/68/12/1025326812.db2.gz ATZCUWNEQMNYEI-NHCUHLMSSA-N 2 2 378.545 3.557 20 0 GHADLP C[NH+](C)CCOc1ccc(C[NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)cc1 ZINC001138771816 1025340537 /nfs/dbraw/zinc/34/05/37/1025340537.db2.gz FQPHYKCBCGKOKU-UHFFFAOYSA-N 3 2 399.554 3.863 20 0 GHADLP C[NH+](C)CCOc1ccc(C[NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)cc1 ZINC001138771816 1025340546 /nfs/dbraw/zinc/34/05/46/1025340546.db2.gz FQPHYKCBCGKOKU-UHFFFAOYSA-N 3 2 399.554 3.863 20 0 GHADLP CCCOc1ccccc1C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001138998916 1025743829 /nfs/dbraw/zinc/74/38/29/1025743829.db2.gz QUJQKECRDXFQRA-UHFFFAOYSA-N 2 2 382.552 3.840 20 0 GHADLP CCCOc1ccccc1C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001138998916 1025743840 /nfs/dbraw/zinc/74/38/40/1025743840.db2.gz QUJQKECRDXFQRA-UHFFFAOYSA-N 2 2 382.552 3.840 20 0 GHADLP CCCOc1ccccc1C[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001138999648 1025746414 /nfs/dbraw/zinc/74/64/14/1025746414.db2.gz YEMGSQPGMZSHJF-UHFFFAOYSA-N 2 2 381.520 3.742 20 0 GHADLP COc1cccc([C@@H]2CSCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001139060758 1025851964 /nfs/dbraw/zinc/85/19/64/1025851964.db2.gz XGNJLIHLVYKNMO-QHCPKHFHSA-N 2 2 398.572 3.818 20 0 GHADLP COc1cccc([C@@H]2CSCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001139060758 1025851989 /nfs/dbraw/zinc/85/19/89/1025851989.db2.gz XGNJLIHLVYKNMO-QHCPKHFHSA-N 2 2 398.572 3.818 20 0 GHADLP Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)[nH+]c2cc[nH]c21 ZINC001162940932 1025977355 /nfs/dbraw/zinc/97/73/55/1025977355.db2.gz BGJFKEPJQDWSFG-FQEVSTJZSA-N 3 2 389.547 3.785 20 0 GHADLP Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)[nH+]c2cc[nH]c21 ZINC001162940932 1025977359 /nfs/dbraw/zinc/97/73/59/1025977359.db2.gz BGJFKEPJQDWSFG-FQEVSTJZSA-N 3 2 389.547 3.785 20 0 GHADLP C[NH+]1CCN(C2C[NH+](Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)CC1 ZINC001139252612 1026102972 /nfs/dbraw/zinc/10/29/72/1026102972.db2.gz SRISMKOKQMOIFD-UHFFFAOYSA-N 2 2 389.465 3.804 20 0 GHADLP COc1ccc(OC)c(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1N ZINC001139278956 1026127721 /nfs/dbraw/zinc/12/77/21/1026127721.db2.gz KXKZGZHDJSXMLP-DEOSSOPVSA-N 2 2 395.547 3.774 20 0 GHADLP COc1ccc(OC)c(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1N ZINC001139278956 1026127725 /nfs/dbraw/zinc/12/77/25/1026127725.db2.gz KXKZGZHDJSXMLP-DEOSSOPVSA-N 2 2 395.547 3.774 20 0 GHADLP COc1ccc(OC)c(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1N ZINC001139278956 1026127727 /nfs/dbraw/zinc/12/77/27/1026127727.db2.gz KXKZGZHDJSXMLP-DEOSSOPVSA-N 2 2 395.547 3.774 20 0 GHADLP COc1ccc(OC)c(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1N ZINC001139278956 1026127734 /nfs/dbraw/zinc/12/77/34/1026127734.db2.gz KXKZGZHDJSXMLP-DEOSSOPVSA-N 2 2 395.547 3.774 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(Br)c(F)c2F)cn1 ZINC001461072118 1069375671 /nfs/dbraw/zinc/37/56/71/1069375671.db2.gz PWTLUNHZLPOCAV-UHFFFAOYSA-N 2 2 393.235 3.906 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356199 1026227770 /nfs/dbraw/zinc/22/77/70/1026227770.db2.gz IDNAMVKDUHGONI-QFIPXVFZSA-N 2 2 382.508 3.848 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356199 1026227782 /nfs/dbraw/zinc/22/77/82/1026227782.db2.gz IDNAMVKDUHGONI-QFIPXVFZSA-N 2 2 382.508 3.848 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CCC4(CCOC[C@H]4COCC4CC4)CC3)cc2)c[nH+]1 ZINC001139358172 1026230396 /nfs/dbraw/zinc/23/03/96/1026230396.db2.gz IXTVHCFCFSMUJA-QFIPXVFZSA-N 2 2 395.547 3.918 20 0 GHADLP c1cn(-c2ccc(C[N@@H+]3CCCC4(CCN(c5ncccn5)CC4)C3)cc2)c[nH+]1 ZINC001139358983 1026231499 /nfs/dbraw/zinc/23/14/99/1026231499.db2.gz XCGRWINEVNVKNJ-UHFFFAOYSA-N 2 2 388.519 3.545 20 0 GHADLP c1cn(-c2ccc(C[N@H+]3CCCC4(CCN(c5ncccn5)CC4)C3)cc2)c[nH+]1 ZINC001139358983 1026231513 /nfs/dbraw/zinc/23/15/13/1026231513.db2.gz XCGRWINEVNVKNJ-UHFFFAOYSA-N 2 2 388.519 3.545 20 0 GHADLP O=C1CC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1F ZINC001139513852 1026369189 /nfs/dbraw/zinc/36/91/89/1026369189.db2.gz FYOKWZQDACOGSN-JOCHJYFZSA-N 2 2 395.522 3.512 20 0 GHADLP O=C1CC[N@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1F ZINC001139513852 1026369200 /nfs/dbraw/zinc/36/92/00/1026369200.db2.gz FYOKWZQDACOGSN-JOCHJYFZSA-N 2 2 395.522 3.512 20 0 GHADLP FC1CC[NH+](C2CC[NH+](Cc3c[nH]c4ncc(C(F)(F)F)cc34)CC2)CC1 ZINC001139539506 1026400263 /nfs/dbraw/zinc/40/02/63/1026400263.db2.gz KOBSBCCVPWOWCI-UHFFFAOYSA-N 2 2 384.421 3.980 20 0 GHADLP CCOc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)cc1Cl ZINC001139594733 1026459214 /nfs/dbraw/zinc/45/92/14/1026459214.db2.gz ZSJICAKRPBWDOJ-KNQAVFIVSA-N 2 2 392.971 3.919 20 0 GHADLP CCOc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)cc1Cl ZINC001139594733 1026459221 /nfs/dbraw/zinc/45/92/21/1026459221.db2.gz ZSJICAKRPBWDOJ-KNQAVFIVSA-N 2 2 392.971 3.919 20 0 GHADLP CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)cc1Cl ZINC001139594733 1026459227 /nfs/dbraw/zinc/45/92/27/1026459227.db2.gz ZSJICAKRPBWDOJ-KNQAVFIVSA-N 2 2 392.971 3.919 20 0 GHADLP CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)cc1Cl ZINC001139594733 1026459235 /nfs/dbraw/zinc/45/92/35/1026459235.db2.gz ZSJICAKRPBWDOJ-KNQAVFIVSA-N 2 2 392.971 3.919 20 0 GHADLP C[C@@H](c1nnc(SC[C@@H]2CCC[N@@H+]2C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC001164463509 1026518385 /nfs/dbraw/zinc/51/83/85/1026518385.db2.gz GCBIJBQXDFGPNB-BBRMVZONSA-N 2 2 379.961 3.730 20 0 GHADLP C[C@@H](c1nnc(SC[C@@H]2CCC[N@H+]2C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC001164463509 1026518388 /nfs/dbraw/zinc/51/83/88/1026518388.db2.gz GCBIJBQXDFGPNB-BBRMVZONSA-N 2 2 379.961 3.730 20 0 GHADLP COC(=O)c1cc2[nH+]c[nH]c2c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC001164493641 1026532122 /nfs/dbraw/zinc/53/21/22/1026532122.db2.gz VMNWHQWAPGWNEJ-NZSAHSFTSA-N 2 2 390.487 3.672 20 0 GHADLP COC(=O)c1cc2[nH+]c[nH]c2c(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC001164493641 1026532127 /nfs/dbraw/zinc/53/21/27/1026532127.db2.gz VMNWHQWAPGWNEJ-NZSAHSFTSA-N 2 2 390.487 3.672 20 0 GHADLP C[NH+]1CCN(c2cccc(N3CCc4ccccc4[C@@H]3c3ccccc3)[nH+]2)CC1 ZINC001165081009 1026591804 /nfs/dbraw/zinc/59/18/04/1026591804.db2.gz WYODOXXAALJMHZ-VWLOTQADSA-N 2 2 384.527 3.986 20 0 GHADLP CCc1ccc(Oc2nc(Cl)ncc2-n2c(C)[nH+]c3c2CC[NH2+]CC3)cc1 ZINC001165357232 1026711833 /nfs/dbraw/zinc/71/18/33/1026711833.db2.gz WGTLKHMESRXFDO-UHFFFAOYSA-N 2 2 383.883 3.667 20 0 GHADLP COc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)c(OC)n1 ZINC001139917920 1026731167 /nfs/dbraw/zinc/73/11/67/1026731167.db2.gz CWGLRHNAMITKDB-ONTIZHBOSA-N 2 2 381.520 3.709 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)c(OC)n1 ZINC001139917920 1026731175 /nfs/dbraw/zinc/73/11/75/1026731175.db2.gz CWGLRHNAMITKDB-ONTIZHBOSA-N 2 2 381.520 3.709 20 0 GHADLP COc1ccc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)c(OC)n1 ZINC001139917920 1026731183 /nfs/dbraw/zinc/73/11/83/1026731183.db2.gz CWGLRHNAMITKDB-ONTIZHBOSA-N 2 2 381.520 3.709 20 0 GHADLP COc1ccc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)c(OC)n1 ZINC001139917920 1026731196 /nfs/dbraw/zinc/73/11/96/1026731196.db2.gz CWGLRHNAMITKDB-ONTIZHBOSA-N 2 2 381.520 3.709 20 0 GHADLP Clc1ncnc2[nH]cc(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)c21 ZINC001139936127 1026742056 /nfs/dbraw/zinc/74/20/56/1026742056.db2.gz KAKBTKODJVGSST-OAQYLSRUSA-N 2 2 381.911 3.661 20 0 GHADLP Clc1ncnc2[nH]cc(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)c21 ZINC001139936127 1026742064 /nfs/dbraw/zinc/74/20/64/1026742064.db2.gz KAKBTKODJVGSST-OAQYLSRUSA-N 2 2 381.911 3.661 20 0 GHADLP Clc1ncnc2[nH]cc(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)c21 ZINC001139936127 1026742072 /nfs/dbraw/zinc/74/20/72/1026742072.db2.gz KAKBTKODJVGSST-OAQYLSRUSA-N 2 2 381.911 3.661 20 0 GHADLP Clc1ncnc2[nH]cc(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c21 ZINC001139936127 1026742079 /nfs/dbraw/zinc/74/20/79/1026742079.db2.gz KAKBTKODJVGSST-OAQYLSRUSA-N 2 2 381.911 3.661 20 0 GHADLP CSc1nccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001140033745 1026822427 /nfs/dbraw/zinc/82/24/27/1026822427.db2.gz PUOHLIYWIHBEMD-IPELMVKDSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1nccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001140033745 1026822433 /nfs/dbraw/zinc/82/24/33/1026822433.db2.gz PUOHLIYWIHBEMD-IPELMVKDSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1nccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001140033745 1026822435 /nfs/dbraw/zinc/82/24/35/1026822435.db2.gz PUOHLIYWIHBEMD-IPELMVKDSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1nccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001140033745 1026822442 /nfs/dbraw/zinc/82/24/42/1026822442.db2.gz PUOHLIYWIHBEMD-IPELMVKDSA-N 2 2 388.606 3.993 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccccc1N(C)C)CC2 ZINC001209773607 1027177966 /nfs/dbraw/zinc/17/79/66/1027177966.db2.gz FLUSBPKLPWEYQI-UHFFFAOYSA-N 2 2 382.552 3.988 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccccc1N(C)C)CC2 ZINC001209773607 1027177974 /nfs/dbraw/zinc/17/79/74/1027177974.db2.gz FLUSBPKLPWEYQI-UHFFFAOYSA-N 2 2 382.552 3.988 20 0 GHADLP CC[NH+](CC)Cc1ccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001209823261 1027220896 /nfs/dbraw/zinc/22/08/96/1027220896.db2.gz BQWOOAYXGLCWQS-UHFFFAOYSA-N 2 2 383.536 3.983 20 0 GHADLP CCc1[nH]c(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C)[nH+]1 ZINC001203239046 1027245590 /nfs/dbraw/zinc/24/55/90/1027245590.db2.gz UWOPXNDLEHODES-FQEVSTJZSA-N 3 2 382.552 3.536 20 0 GHADLP CCc1[nH]c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C)[nH+]1 ZINC001203239046 1027245609 /nfs/dbraw/zinc/24/56/09/1027245609.db2.gz UWOPXNDLEHODES-FQEVSTJZSA-N 3 2 382.552 3.536 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c(Cl)cccc4Cl)C[C@H]3C2)cn1 ZINC001203419801 1027325368 /nfs/dbraw/zinc/32/53/68/1027325368.db2.gz VQWLLTDSEMNMOR-HZPDHXFCSA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c(Cl)cccc4Cl)C[C@H]3C2)cn1 ZINC001203419801 1027325385 /nfs/dbraw/zinc/32/53/85/1027325385.db2.gz VQWLLTDSEMNMOR-HZPDHXFCSA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c(Cl)cccc4Cl)C[C@H]3C2)cn1 ZINC001203419801 1027325404 /nfs/dbraw/zinc/32/54/04/1027325404.db2.gz VQWLLTDSEMNMOR-HZPDHXFCSA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c(Cl)cccc4Cl)C[C@H]3C2)cn1 ZINC001203419801 1027325425 /nfs/dbraw/zinc/32/54/25/1027325425.db2.gz VQWLLTDSEMNMOR-HZPDHXFCSA-N 2 2 379.335 3.681 20 0 GHADLP COc1ccc2c(Nc3cc(N4C[C@H](C)O[C@@H](C)C4)[nH+]c(C)n3)cc[nH+]c2c1 ZINC001203523481 1027404545 /nfs/dbraw/zinc/40/45/45/1027404545.db2.gz PVWRCLMKRSYRBU-KBPBESRZSA-N 2 2 379.464 3.699 20 0 GHADLP CC[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(=O)OC(C)(C)C ZINC001203751912 1027574040 /nfs/dbraw/zinc/57/40/40/1027574040.db2.gz XUSAMAMNFOQHDF-QGZVFWFLSA-N 2 2 375.557 3.679 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1OC ZINC001203849830 1027656087 /nfs/dbraw/zinc/65/60/87/1027656087.db2.gz GNHRIWQWTUPKTH-NHCUHLMSSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1OC ZINC001203849830 1027656092 /nfs/dbraw/zinc/65/60/92/1027656092.db2.gz GNHRIWQWTUPKTH-NHCUHLMSSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1OC ZINC001203849830 1027656094 /nfs/dbraw/zinc/65/60/94/1027656094.db2.gz GNHRIWQWTUPKTH-NHCUHLMSSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1OC ZINC001203849830 1027656097 /nfs/dbraw/zinc/65/60/97/1027656097.db2.gz GNHRIWQWTUPKTH-NHCUHLMSSA-N 2 2 396.531 3.666 20 0 GHADLP FC(F)(F)c1cccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001203884290 1027679196 /nfs/dbraw/zinc/67/91/96/1027679196.db2.gz RVAHRILOEFVXAE-UHFFFAOYSA-N 2 2 392.469 3.946 20 0 GHADLP FC(F)(F)c1cccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001203884290 1027679204 /nfs/dbraw/zinc/67/92/04/1027679204.db2.gz RVAHRILOEFVXAE-UHFFFAOYSA-N 2 2 392.469 3.946 20 0 GHADLP C[C@H]1C[C@H]([NH2+]CC(=O)N2CCCCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001203898049 1027691035 /nfs/dbraw/zinc/69/10/35/1027691035.db2.gz YKQGEXRUEATNCQ-NZQKXSOJSA-N 2 2 391.559 3.999 20 0 GHADLP C[C@H]1C[C@H]([NH2+]CC(=O)N2CCCCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001203898049 1027691053 /nfs/dbraw/zinc/69/10/53/1027691053.db2.gz YKQGEXRUEATNCQ-NZQKXSOJSA-N 2 2 391.559 3.999 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4c3OCO4)C[C@H]21 ZINC001141956519 1027743965 /nfs/dbraw/zinc/74/39/65/1027743965.db2.gz KMNNBYDCCAYJGD-IOMROCGXSA-N 2 2 379.504 3.543 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4c3OCO4)C[C@H]21 ZINC001141956519 1027743980 /nfs/dbraw/zinc/74/39/80/1027743980.db2.gz KMNNBYDCCAYJGD-IOMROCGXSA-N 2 2 379.504 3.543 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4c3OCO4)C[C@H]21 ZINC001141956519 1027743997 /nfs/dbraw/zinc/74/39/97/1027743997.db2.gz KMNNBYDCCAYJGD-IOMROCGXSA-N 2 2 379.504 3.543 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4c3OCO4)C[C@H]21 ZINC001141956519 1027744016 /nfs/dbraw/zinc/74/40/16/1027744016.db2.gz KMNNBYDCCAYJGD-IOMROCGXSA-N 2 2 379.504 3.543 20 0 GHADLP CC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001461286098 1069481452 /nfs/dbraw/zinc/48/14/52/1069481452.db2.gz NEQXXXIVBKCCPJ-VXKWHMMOSA-N 2 2 396.560 3.703 20 0 GHADLP CC(C)(C)OC(=O)NC1CC[NH+](C2CC[NH+](Cc3cccs3)CC2)CC1 ZINC001204016902 1027807819 /nfs/dbraw/zinc/80/78/19/1027807819.db2.gz LBFBDXXUTFXCLF-UHFFFAOYSA-N 2 2 379.570 3.702 20 0 GHADLP Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000841032432 1028057678 /nfs/dbraw/zinc/05/76/78/1028057678.db2.gz DYPRWTXRAUSROH-CYBMUJFWSA-N 2 2 386.849 3.942 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)s1 ZINC000842784590 1029587004 /nfs/dbraw/zinc/58/70/04/1029587004.db2.gz NVNDOCNOLPOREZ-INIZCTEOSA-N 2 2 394.585 3.617 20 0 GHADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(CC(=O)OC)cc2)CC1 ZINC001142906445 1029668928 /nfs/dbraw/zinc/66/89/28/1029668928.db2.gz NEHYJUQITLMZDK-UHFFFAOYSA-N 2 2 380.532 3.889 20 0 GHADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(CC(=O)OC)cc2)CC1 ZINC001142906445 1029668932 /nfs/dbraw/zinc/66/89/32/1029668932.db2.gz NEHYJUQITLMZDK-UHFFFAOYSA-N 2 2 380.532 3.889 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000843362131 1029939053 /nfs/dbraw/zinc/93/90/53/1029939053.db2.gz SDGRCSDLCFDIRN-CWAQXLGLSA-N 2 2 391.559 3.602 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000843362131 1029939066 /nfs/dbraw/zinc/93/90/66/1029939066.db2.gz SDGRCSDLCFDIRN-CWAQXLGLSA-N 2 2 391.559 3.602 20 0 GHADLP CCOc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(Br)c1OC ZINC001461605692 1069637060 /nfs/dbraw/zinc/63/70/60/1069637060.db2.gz KVBAHOSFQVGXCZ-SJORKVTESA-N 2 2 397.357 3.963 20 0 GHADLP CCOc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc(Br)c1OC ZINC001461605692 1069637063 /nfs/dbraw/zinc/63/70/63/1069637063.db2.gz KVBAHOSFQVGXCZ-SJORKVTESA-N 2 2 397.357 3.963 20 0 GHADLP c1ccc([C@H]2C[N@@H+](Cc3ccc(OC4CCCCC4)nc3)CC23C[NH2+]C3)cc1 ZINC001222609007 1030233043 /nfs/dbraw/zinc/23/30/43/1030233043.db2.gz KUYMCGGOFLJDAD-JOCHJYFZSA-N 2 2 377.532 3.982 20 0 GHADLP c1ccc([C@H]2C[N@H+](Cc3ccc(OC4CCCCC4)nc3)CC23C[NH2+]C3)cc1 ZINC001222609007 1030233050 /nfs/dbraw/zinc/23/30/50/1030233050.db2.gz KUYMCGGOFLJDAD-JOCHJYFZSA-N 2 2 377.532 3.982 20 0 GHADLP C[C@@H](OCc1ccccc1)[C@H]([NH3+])c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217700630 1030616417 /nfs/dbraw/zinc/61/64/17/1030616417.db2.gz GEHACBZPRHVFKW-UIFIKXQLSA-N 2 2 392.503 3.664 20 0 GHADLP C[C@@H](OCc1ccccc1)[C@H]([NH3+])c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217700630 1030616428 /nfs/dbraw/zinc/61/64/28/1030616428.db2.gz GEHACBZPRHVFKW-UIFIKXQLSA-N 2 2 392.503 3.664 20 0 GHADLP Nc1cc[nH+]c(-c2cc(NC(=O)C[C@H]([NH3+])c3cccc4ccccc43)ccn2)c1 ZINC001218613135 1031005351 /nfs/dbraw/zinc/00/53/51/1031005351.db2.gz LNURYDKFKZAKPV-FQEVSTJZSA-N 2 2 383.455 3.908 20 0 GHADLP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218710183 1031043207 /nfs/dbraw/zinc/04/32/07/1031043207.db2.gz CLFBNDOAWBLAOG-FQEVSTJZSA-N 2 2 390.487 3.740 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1Cl ZINC001220161305 1031808437 /nfs/dbraw/zinc/80/84/37/1031808437.db2.gz BNCQGCNNDZYHEO-LRQRDZAKSA-N 2 2 377.960 3.761 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCCCC2)C[C@@H]1C[NH3+] ZINC001205303550 1033349882 /nfs/dbraw/zinc/34/98/82/1033349882.db2.gz HUUGGBKRNJVFGW-RDJZCZTQSA-N 2 2 380.374 3.856 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2N2CCCCC2)C[C@@H]1C[NH3+] ZINC001205303550 1033349898 /nfs/dbraw/zinc/34/98/98/1033349898.db2.gz HUUGGBKRNJVFGW-RDJZCZTQSA-N 2 2 380.374 3.856 20 0 GHADLP Cc1cccn2cc(CCNC(=O)NC[C@H]3CCC[N@@H+]3CC3CCCCC3)[nH+]c12 ZINC001229431985 1033477311 /nfs/dbraw/zinc/47/73/11/1033477311.db2.gz JYHLFHDXBLQFCU-OAQYLSRUSA-N 2 2 397.567 3.529 20 0 GHADLP Cc1cccn2cc(CCNC(=O)NC[C@H]3CCC[N@H+]3CC3CCCCC3)[nH+]c12 ZINC001229431985 1033477320 /nfs/dbraw/zinc/47/73/20/1033477320.db2.gz JYHLFHDXBLQFCU-OAQYLSRUSA-N 2 2 397.567 3.529 20 0 GHADLP O=C([C@H]1CC[C@H](c2ccccc2)[NH2+]C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001157609183 1033689575 /nfs/dbraw/zinc/68/95/75/1033689575.db2.gz BXDBFAWUGCEMCX-FWPJBHJGSA-N 2 2 389.543 3.585 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(OCc2ccccc2)cc1OC ZINC001206163746 1033748805 /nfs/dbraw/zinc/74/88/05/1033748805.db2.gz FGFRAFNDLQTNNX-RBUKOAKNSA-N 2 2 388.483 3.544 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(OCc2ccccc2)cc1OC ZINC001206163746 1033748823 /nfs/dbraw/zinc/74/88/23/1033748823.db2.gz FGFRAFNDLQTNNX-RBUKOAKNSA-N 2 2 388.483 3.544 20 0 GHADLP Brc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)nc1 ZINC001206519729 1033886989 /nfs/dbraw/zinc/88/69/89/1033886989.db2.gz JLNIVHLWGPRDGM-UHFFFAOYSA-N 2 2 390.325 3.925 20 0 GHADLP Brc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)nc1 ZINC001206519729 1033887005 /nfs/dbraw/zinc/88/70/05/1033887005.db2.gz JLNIVHLWGPRDGM-UHFFFAOYSA-N 2 2 390.325 3.925 20 0 GHADLP O=C(CC1=C(c2ccccc2)[NH2+]C(c2ccccc2)S1)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158413785 1034068046 /nfs/dbraw/zinc/06/80/46/1034068046.db2.gz ABTSCRJFYLRBBW-MOPGFXCFSA-N 2 2 390.532 3.582 20 0 GHADLP Cc1[nH+]c(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)cc2[nH]ccc21 ZINC001158590297 1034181760 /nfs/dbraw/zinc/18/17/60/1034181760.db2.gz NIGZBDONZYHUIT-XLIONFOSSA-N 2 2 378.476 3.742 20 0 GHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207268038 1034223704 /nfs/dbraw/zinc/22/37/04/1034223704.db2.gz HSIWVLBIFSFNNN-UHFFFAOYSA-N 2 2 382.508 3.752 20 0 GHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207268038 1034223717 /nfs/dbraw/zinc/22/37/17/1034223717.db2.gz HSIWVLBIFSFNNN-UHFFFAOYSA-N 2 2 382.508 3.752 20 0 GHADLP COc1ccccc1CC[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001207456578 1034378320 /nfs/dbraw/zinc/37/83/20/1034378320.db2.gz QWELEOXVPXQNSP-UHFFFAOYSA-N 2 2 391.515 3.916 20 0 GHADLP COc1ccccc1CC[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001207456578 1034378335 /nfs/dbraw/zinc/37/83/35/1034378335.db2.gz QWELEOXVPXQNSP-UHFFFAOYSA-N 2 2 391.515 3.916 20 0 GHADLP COc1ccccc1CC[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001207456578 1034378347 /nfs/dbraw/zinc/37/83/47/1034378347.db2.gz QWELEOXVPXQNSP-UHFFFAOYSA-N 2 2 391.515 3.916 20 0 GHADLP COc1ccccc1CC[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001207456578 1034378365 /nfs/dbraw/zinc/37/83/65/1034378365.db2.gz QWELEOXVPXQNSP-UHFFFAOYSA-N 2 2 391.515 3.916 20 0 GHADLP C[C@H](CCc1ccc(O)cc1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001207501912 1034407208 /nfs/dbraw/zinc/40/72/08/1034407208.db2.gz NLJHOUUOFBLBNQ-HXUWFJFHSA-N 2 2 382.548 3.984 20 0 GHADLP C[C@H](CCc1ccc(O)cc1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001207501912 1034407220 /nfs/dbraw/zinc/40/72/20/1034407220.db2.gz NLJHOUUOFBLBNQ-HXUWFJFHSA-N 2 2 382.548 3.984 20 0 GHADLP Cc1cccc(CC[NH+]2CCC([N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC001207554994 1034446834 /nfs/dbraw/zinc/44/68/34/1034446834.db2.gz XGQZRMRFCDJVOP-FQEVSTJZSA-N 2 2 387.568 3.601 20 0 GHADLP Cc1cccc(CC[NH+]2CCC([N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC001207554994 1034446837 /nfs/dbraw/zinc/44/68/37/1034446837.db2.gz XGQZRMRFCDJVOP-FQEVSTJZSA-N 2 2 387.568 3.601 20 0 GHADLP CCOC(=O)c1c(Nc2ccc(Cn3cc[nH+]c3)cc2)sc2c1CC[NH2+]C2 ZINC001159211981 1034485935 /nfs/dbraw/zinc/48/59/35/1034485935.db2.gz DLGUUHBFADJZTD-UHFFFAOYSA-N 2 2 382.489 3.559 20 0 GHADLP Ic1ccc2c(NC3=C[C@H]4CC[C@@H](C3)[NH2+]4)cc[nH+]c2c1 ZINC001159378036 1034571433 /nfs/dbraw/zinc/57/14/33/1034571433.db2.gz CFZIWBFVXXDYPN-NEPJUHHUSA-N 2 2 377.229 3.660 20 0 GHADLP COc1cc(F)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001231603094 1034759264 /nfs/dbraw/zinc/75/92/64/1034759264.db2.gz XAEUWJLLWRZVRF-BULFRSBZSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cc(F)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001231603094 1034759276 /nfs/dbraw/zinc/75/92/76/1034759276.db2.gz XAEUWJLLWRZVRF-BULFRSBZSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cc(F)ccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231603094 1034759284 /nfs/dbraw/zinc/75/92/84/1034759284.db2.gz XAEUWJLLWRZVRF-BULFRSBZSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cc(F)ccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231603094 1034759297 /nfs/dbraw/zinc/75/92/97/1034759297.db2.gz XAEUWJLLWRZVRF-BULFRSBZSA-N 2 2 383.511 3.962 20 0 GHADLP COC[C@@H]1C[N@H+](CC2(C[NH+](C)C)CCCC2)Cc2cn(CC3CCCC3)nc21 ZINC001208184327 1034780873 /nfs/dbraw/zinc/78/08/73/1034780873.db2.gz AYBLHCXGXGDDMM-NRFANRHFSA-N 2 2 388.600 3.741 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2(C[NH+](C)C)CCCC2)Cc2cn(CC3CCCC3)nc21 ZINC001208184327 1034780885 /nfs/dbraw/zinc/78/08/85/1034780885.db2.gz AYBLHCXGXGDDMM-NRFANRHFSA-N 2 2 388.600 3.741 20 0 GHADLP CCOc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231765462 1034897391 /nfs/dbraw/zinc/89/73/91/1034897391.db2.gz UXMUTDXZXINGGP-VLCRHTCISA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ncccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231765462 1034897399 /nfs/dbraw/zinc/89/73/99/1034897399.db2.gz UXMUTDXZXINGGP-VLCRHTCISA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ncccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231765462 1034897407 /nfs/dbraw/zinc/89/74/07/1034897407.db2.gz UXMUTDXZXINGGP-VLCRHTCISA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ncccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231765462 1034897420 /nfs/dbraw/zinc/89/74/20/1034897420.db2.gz UXMUTDXZXINGGP-VLCRHTCISA-N 2 2 380.536 3.608 20 0 GHADLP c1csc(C[NH+]2C[C@H]3CN(C[C@@H]4CCCC[N@@H+]4Cc4ccccc4)C[C@H]3C2)n1 ZINC001208583314 1034940534 /nfs/dbraw/zinc/94/05/34/1034940534.db2.gz CERMKOKLXATZKF-BDTNDASRSA-N 2 2 396.604 3.561 20 0 GHADLP c1csc(C[NH+]2C[C@H]3CN(C[C@@H]4CCCC[N@H+]4Cc4ccccc4)C[C@H]3C2)n1 ZINC001208583314 1034940540 /nfs/dbraw/zinc/94/05/40/1034940540.db2.gz CERMKOKLXATZKF-BDTNDASRSA-N 2 2 396.604 3.561 20 0 GHADLP c1csc(C[N@@H+]2C[C@H]3CN(C[C@@H]4CCCC[NH+]4Cc4ccccc4)C[C@H]3C2)n1 ZINC001208583314 1034940542 /nfs/dbraw/zinc/94/05/42/1034940542.db2.gz CERMKOKLXATZKF-BDTNDASRSA-N 2 2 396.604 3.561 20 0 GHADLP c1csc(C[N@H+]2C[C@H]3CN(C[C@@H]4CCCC[NH+]4Cc4ccccc4)C[C@H]3C2)n1 ZINC001208583314 1034940545 /nfs/dbraw/zinc/94/05/45/1034940545.db2.gz CERMKOKLXATZKF-BDTNDASRSA-N 2 2 396.604 3.561 20 0 GHADLP COC(=O)[C@H]1CC[C@H](C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001208632187 1034961712 /nfs/dbraw/zinc/96/17/12/1034961712.db2.gz KFUDOTHRISGMIJ-DPVJEZKXSA-N 2 2 386.580 3.861 20 0 GHADLP COC(=O)[C@H]1CC[C@H](C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001208632187 1034961714 /nfs/dbraw/zinc/96/17/14/1034961714.db2.gz KFUDOTHRISGMIJ-DPVJEZKXSA-N 2 2 386.580 3.861 20 0 GHADLP COC(=O)[C@H]1CC[C@H](C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001208632187 1034961718 /nfs/dbraw/zinc/96/17/18/1034961718.db2.gz KFUDOTHRISGMIJ-DPVJEZKXSA-N 2 2 386.580 3.861 20 0 GHADLP COC(=O)[C@H]1CC[C@H](C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001208632187 1034961721 /nfs/dbraw/zinc/96/17/21/1034961721.db2.gz KFUDOTHRISGMIJ-DPVJEZKXSA-N 2 2 386.580 3.861 20 0 GHADLP C[C@@H](C[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1)c1cccc2ccccc21 ZINC001208709315 1034988415 /nfs/dbraw/zinc/98/84/15/1034988415.db2.gz JEODOCGNWOAXGV-SFHVURJKSA-N 2 2 386.503 3.686 20 0 GHADLP C[C@@H](C[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1)c1cccc2ccccc21 ZINC001208709315 1034988418 /nfs/dbraw/zinc/98/84/18/1034988418.db2.gz JEODOCGNWOAXGV-SFHVURJKSA-N 2 2 386.503 3.686 20 0 GHADLP CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)c3cccc4c3C[NH2+]CC4)CC2)cc1 ZINC001160595295 1035012650 /nfs/dbraw/zinc/01/26/50/1035012650.db2.gz LBNNBWISWOGLSQ-UHFFFAOYSA-N 2 2 391.559 3.588 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC3(CCn4c(-c5ccccc5)c[nH+]c43)CC2)[nH]1 ZINC001232076578 1035080263 /nfs/dbraw/zinc/08/02/63/1035080263.db2.gz RSWWNPYIGRUEFX-UHFFFAOYSA-N 2 2 390.487 3.602 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@@H+]2C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208941594 1035109916 /nfs/dbraw/zinc/10/99/16/1035109916.db2.gz MPBXLMMLJJBZJH-QHAWAJNXSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@H+]2C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208941594 1035109922 /nfs/dbraw/zinc/10/99/22/1035109922.db2.gz MPBXLMMLJJBZJH-QHAWAJNXSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[NH+]2C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208941594 1035109927 /nfs/dbraw/zinc/10/99/27/1035109927.db2.gz MPBXLMMLJJBZJH-QHAWAJNXSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[NH+]2C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208941594 1035109930 /nfs/dbraw/zinc/10/99/30/1035109930.db2.gz MPBXLMMLJJBZJH-QHAWAJNXSA-N 2 2 385.552 3.592 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[NH+](C[C@H]4CC[N@H+](Cc5ccccc5)C4)C[C@@H]3C2)c1 ZINC001208943889 1035113046 /nfs/dbraw/zinc/11/30/46/1035113046.db2.gz WFNMEPNXTONERI-BHDDXSALSA-N 3 2 381.589 3.634 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[NH+](C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@@H]3C2)c1 ZINC001208943889 1035113055 /nfs/dbraw/zinc/11/30/55/1035113055.db2.gz WFNMEPNXTONERI-BHDDXSALSA-N 3 2 381.589 3.634 20 0 GHADLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C[C@@H]4CC[NH+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208946961 1035117399 /nfs/dbraw/zinc/11/73/99/1035117399.db2.gz SGNZWBPKZBYGPP-CYXNTTPDSA-N 3 2 389.587 3.881 20 0 GHADLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C[C@@H]4CC[NH+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208946961 1035117404 /nfs/dbraw/zinc/11/74/04/1035117404.db2.gz SGNZWBPKZBYGPP-CYXNTTPDSA-N 3 2 389.587 3.881 20 0 GHADLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C[C@@H]4CC[NH+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208946961 1035117410 /nfs/dbraw/zinc/11/74/10/1035117410.db2.gz SGNZWBPKZBYGPP-CYXNTTPDSA-N 3 2 389.587 3.881 20 0 GHADLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](C[C@@H]4CC[NH+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208946961 1035117417 /nfs/dbraw/zinc/11/74/17/1035117417.db2.gz SGNZWBPKZBYGPP-CYXNTTPDSA-N 3 2 389.587 3.881 20 0 GHADLP CCOC(=O)c1cc2cc[nH+]c(NC3CC[NH+](Cc4ccc(O)cc4)CC3)c2[nH]1 ZINC001161130965 1035153221 /nfs/dbraw/zinc/15/32/21/1035153221.db2.gz GHMIUYPHKSTGJL-UHFFFAOYSA-N 2 2 394.475 3.522 20 0 GHADLP FC(F)(F)c1ccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001209123616 1035183283 /nfs/dbraw/zinc/18/32/83/1035183283.db2.gz YEUTXMUYSYKCFZ-KDURUIRLSA-N 2 2 375.438 3.707 20 0 GHADLP FC(F)(F)c1ccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001209123616 1035183291 /nfs/dbraw/zinc/18/32/91/1035183291.db2.gz YEUTXMUYSYKCFZ-KDURUIRLSA-N 2 2 375.438 3.707 20 0 GHADLP FC(F)(F)c1ccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001209123616 1035183295 /nfs/dbraw/zinc/18/32/95/1035183295.db2.gz YEUTXMUYSYKCFZ-KDURUIRLSA-N 2 2 375.438 3.707 20 0 GHADLP FC(F)(F)c1ccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001209123616 1035183303 /nfs/dbraw/zinc/18/33/03/1035183303.db2.gz YEUTXMUYSYKCFZ-KDURUIRLSA-N 2 2 375.438 3.707 20 0 GHADLP c1ccc(COCCCC[NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)cc1 ZINC001209251950 1035221849 /nfs/dbraw/zinc/22/18/49/1035221849.db2.gz BCNCBOYYVJTDBK-UHFFFAOYSA-N 2 2 395.547 3.750 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCC(c3csc4ccccc43)CC2)cc1 ZINC001161453604 1035234208 /nfs/dbraw/zinc/23/42/08/1035234208.db2.gz KPYUTROGTOGFCA-HXUWFJFHSA-N 2 2 379.529 3.880 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](CCC[NH+]4CCCCC4)CC3)C2)cc1 ZINC001209449646 1035276986 /nfs/dbraw/zinc/27/69/86/1035276986.db2.gz BKSSXBYRRNZWSO-UHFFFAOYSA-N 3 2 385.596 3.538 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](CCC[NH+]4CCCCC4)CC3)C2)cc1 ZINC001209449646 1035276991 /nfs/dbraw/zinc/27/69/91/1035276991.db2.gz BKSSXBYRRNZWSO-UHFFFAOYSA-N 3 2 385.596 3.538 20 0 GHADLP Cc1cc(Cl)ncc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001209630785 1035337381 /nfs/dbraw/zinc/33/73/81/1035337381.db2.gz YDUPROVUMSWZAT-HOJAQTOUSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1cc(Cl)ncc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001209630785 1035337384 /nfs/dbraw/zinc/33/73/84/1035337384.db2.gz YDUPROVUMSWZAT-HOJAQTOUSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1cc(Cl)ncc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001209630785 1035337387 /nfs/dbraw/zinc/33/73/87/1035337387.db2.gz YDUPROVUMSWZAT-HOJAQTOUSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1cc(Cl)ncc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001209630785 1035337390 /nfs/dbraw/zinc/33/73/90/1035337390.db2.gz YDUPROVUMSWZAT-HOJAQTOUSA-N 2 2 387.959 3.613 20 0 GHADLP C[N@@H+]1Cc2ccccc2C[C@@H]1c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001248121171 1035544895 /nfs/dbraw/zinc/54/48/95/1035544895.db2.gz ZBJVLBOTZQOUEF-YNEJIKTKSA-N 2 2 387.487 3.927 20 0 GHADLP C[N@H+]1Cc2ccccc2C[C@@H]1c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001248121171 1035544905 /nfs/dbraw/zinc/54/49/05/1035544905.db2.gz ZBJVLBOTZQOUEF-YNEJIKTKSA-N 2 2 387.487 3.927 20 0 GHADLP Fc1ccc(C[NH+]2CCOCC2)c(-c2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC001243101164 1036033190 /nfs/dbraw/zinc/03/31/90/1036033190.db2.gz GCKJKHJIRGBCJP-UHFFFAOYSA-N 2 2 384.495 3.800 20 0 GHADLP COc1ccc2c(OC)ccc(C[NH+]3CCN(c4cc(C)[nH+]c(C)n4)CC3)c2c1 ZINC001248827995 1036189341 /nfs/dbraw/zinc/18/93/41/1036189341.db2.gz WKLMPLMWMKLVSP-UHFFFAOYSA-N 2 2 392.503 3.586 20 0 GHADLP Fc1cc(OCC[NH+]2CCOCC2)ccc1-c1cccc(C2CC[NH2+]CC2)c1 ZINC001244135163 1036387805 /nfs/dbraw/zinc/38/78/05/1036387805.db2.gz MIUMJSRLSIQXFC-UHFFFAOYSA-N 2 2 384.495 3.671 20 0 GHADLP Fc1cc(OCC[NH+]2CCOCC2)ccc1-c1cccc(C[NH+]2CCCC2)c1 ZINC001244138340 1036395398 /nfs/dbraw/zinc/39/53/98/1036395398.db2.gz VUQSXOBPYRCAKL-UHFFFAOYSA-N 2 2 384.495 3.800 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001462148122 1070036066 /nfs/dbraw/zinc/03/60/66/1070036066.db2.gz MZIKWKSOJWIWJB-QZTJIDSGSA-N 2 2 386.527 3.989 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl ZINC001245974067 1037099388 /nfs/dbraw/zinc/09/93/88/1037099388.db2.gz KORRIUSZBFKUAS-WQRJOSILSA-N 2 2 389.273 3.853 20 0 GHADLP CCCC[C@H](CC)COC[C@@H](O)C[NH2+]C1(c2cccc(F)c2)CC[NH2+]CC1 ZINC001246004406 1037124936 /nfs/dbraw/zinc/12/49/36/1037124936.db2.gz FWPDQPOJIGYNJD-RXVVDRJESA-N 2 2 380.548 3.588 20 0 GHADLP CCCC[C@@H](CC)COC[C@H](O)C[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001246052064 1037162833 /nfs/dbraw/zinc/16/28/33/1037162833.db2.gz LZPJKNQFSVDSQS-DENIHFKCSA-N 2 2 394.575 3.974 20 0 GHADLP CCCC[C@@H](CC)COC[C@H](O)C[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001246052064 1037162853 /nfs/dbraw/zinc/16/28/53/1037162853.db2.gz LZPJKNQFSVDSQS-DENIHFKCSA-N 2 2 394.575 3.974 20 0 GHADLP CCOC(=O)C[C@@]1([NH2+][C@H](C)CC(c2ccccc2)c2ccccc2)CC[NH2+]C1 ZINC001246126019 1037204535 /nfs/dbraw/zinc/20/45/35/1037204535.db2.gz JUBYDCKHJJEIGZ-DVECYGJZSA-N 2 2 380.532 3.872 20 0 GHADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246243085 1037250372 /nfs/dbraw/zinc/25/03/72/1037250372.db2.gz PNIFJVSCQFOGSY-SJCJKPOMSA-N 2 2 390.902 3.978 20 0 GHADLP Clc1cccc(CC2([NH2+][C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246427459 1037386797 /nfs/dbraw/zinc/38/67/97/1037386797.db2.gz HCLYCTROZQXDSF-XZOQPEGZSA-N 3 2 397.994 3.958 20 0 GHADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@@H]2CCc3cccc(Br)c3C2)c1 ZINC001246513154 1037453077 /nfs/dbraw/zinc/45/30/77/1037453077.db2.gz WAXJQJDODPILAG-DNVCBOLYSA-N 2 2 375.310 3.605 20 0 GHADLP COc1cc(NC(=O)[C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc2ccccc21 ZINC001246518523 1037453155 /nfs/dbraw/zinc/45/31/55/1037453155.db2.gz HNZYCSASRRBIBO-WJPUGNRLSA-N 2 2 383.536 3.932 20 0 GHADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+]C2CCC3(CCc4ccccc43)CC2)cc1 ZINC001246525138 1037456570 /nfs/dbraw/zinc/45/65/70/1037456570.db2.gz MNIKGMGHIBPCRH-DJSMFCCRSA-N 2 2 378.516 3.889 20 0 GHADLP COC(=O)c1ccc([C@@H]([NH3+])C[NH2+]C2CCC3(CCc4ccccc43)CC2)cc1 ZINC001246525141 1037457134 /nfs/dbraw/zinc/45/71/34/1037457134.db2.gz MNIKGMGHIBPCRH-HMXGKDEJSA-N 2 2 378.516 3.889 20 0 GHADLP C[C@H]1CC[C@@H]([NH+]2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)C[NH2+]1 ZINC001246694315 1037554026 /nfs/dbraw/zinc/55/40/26/1037554026.db2.gz LUVTXLQBIBWESL-FXAWDEMLSA-N 2 2 389.547 3.955 20 0 GHADLP C[C@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246722166 1037573468 /nfs/dbraw/zinc/57/34/68/1037573468.db2.gz PLHNJHIXKJRMBD-QRGRWYIGSA-N 2 2 386.584 3.889 20 0 GHADLP C[C@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246722166 1037573486 /nfs/dbraw/zinc/57/34/86/1037573486.db2.gz PLHNJHIXKJRMBD-QRGRWYIGSA-N 2 2 386.584 3.889 20 0 GHADLP CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+]([C@@H]3CC[C@H](C)[NH2+]C3)CC2)c2ccccc21 ZINC001246749894 1037588907 /nfs/dbraw/zinc/58/89/07/1037588907.db2.gz CCNJHOZKCNYPOQ-PWRODBHTSA-N 2 2 397.607 3.907 20 0 GHADLP c1ccc([C@@H]2C[C@@H]([NH+]3CCN(c4nc5ccccc5s4)CC3)CC[NH2+]2)cc1 ZINC001246782959 1037623385 /nfs/dbraw/zinc/62/33/85/1037623385.db2.gz YDWRVPQARIXOHT-ICSRJNTNSA-N 2 2 378.545 3.912 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)CC[NH2+]1 ZINC001246852168 1037676837 /nfs/dbraw/zinc/67/68/37/1037676837.db2.gz NNTDHFWYKPZHCG-QUCCMNQESA-N 2 2 388.918 3.798 20 0 GHADLP COc1cccc2c1C[C@@H]([N@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1)CO2 ZINC001246955511 1037764769 /nfs/dbraw/zinc/76/47/69/1037764769.db2.gz MYYLAZKLHGUGAM-QGZVFWFLSA-N 2 2 388.458 3.531 20 0 GHADLP COc1cccc2c1C[C@@H]([N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1)CO2 ZINC001246955511 1037764794 /nfs/dbraw/zinc/76/47/94/1037764794.db2.gz MYYLAZKLHGUGAM-QGZVFWFLSA-N 2 2 388.458 3.531 20 0 GHADLP COC(=O)[C@]12CC[NH2+][C@H]1C[N@@H+]([C@H](C)CC(c1ccccc1)c1ccccc1)CC2 ZINC001246985275 1037810109 /nfs/dbraw/zinc/81/01/09/1037810109.db2.gz HNGFVJSTTPOINW-VPHKFGTKSA-N 2 2 392.543 3.824 20 0 GHADLP COC(=O)[C@]12CC[NH2+][C@H]1C[N@H+]([C@H](C)CC(c1ccccc1)c1ccccc1)CC2 ZINC001246985275 1037810132 /nfs/dbraw/zinc/81/01/32/1037810132.db2.gz HNGFVJSTTPOINW-VPHKFGTKSA-N 2 2 392.543 3.824 20 0 GHADLP COC(=O)[C@@]12CC[NH2+][C@H]1C[N@@H+](C1CCC(c3ccc(Cl)cc3)CC1)CC2 ZINC001246992766 1037816061 /nfs/dbraw/zinc/81/60/61/1037816061.db2.gz YZEVMXQMJHQDAN-LDVNLBKXSA-N 2 2 376.928 3.593 20 0 GHADLP COC(=O)[C@@]12CC[NH2+][C@H]1C[N@H+](C1CCC(c3ccc(Cl)cc3)CC1)CC2 ZINC001246992766 1037816068 /nfs/dbraw/zinc/81/60/68/1037816068.db2.gz YZEVMXQMJHQDAN-LDVNLBKXSA-N 2 2 376.928 3.593 20 0 GHADLP Fc1cc(-c2noc([C@@H]3CCCc4c[nH+]cn43)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247249944 1038025499 /nfs/dbraw/zinc/02/54/99/1038025499.db2.gz DNYAQOXKCOJDOX-MOPGFXCFSA-N 2 2 390.422 3.730 20 0 GHADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc3c(c1)CCCN3C(=O)OC(C)(C)C)C2 ZINC001232431888 1038211336 /nfs/dbraw/zinc/21/13/36/1038211336.db2.gz BZFRUKYDRDYQNV-AUSIDOKSSA-N 2 2 385.552 3.758 20 0 GHADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc3c(c1)CCCN3C(=O)OC(C)(C)C)C2 ZINC001232431888 1038211346 /nfs/dbraw/zinc/21/13/46/1038211346.db2.gz BZFRUKYDRDYQNV-AUSIDOKSSA-N 2 2 385.552 3.758 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(OCc3ccccc3)no2)CC1 ZINC001232449245 1038231234 /nfs/dbraw/zinc/23/12/34/1038231234.db2.gz RQEPDTMRIXPZGN-UHFFFAOYSA-N 2 2 378.476 3.696 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3c[nH]c4nccc(Cl)c34)C2)C1 ZINC001232455401 1038240714 /nfs/dbraw/zinc/24/07/14/1038240714.db2.gz QWQFIWPTQUSYJS-HXUWFJFHSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3c[nH]c4nccc(Cl)c34)C2)C1 ZINC001232455401 1038240728 /nfs/dbraw/zinc/24/07/28/1038240728.db2.gz QWQFIWPTQUSYJS-HXUWFJFHSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3c[nH]c4nccc(Cl)c34)C2)C1 ZINC001232455401 1038240739 /nfs/dbraw/zinc/24/07/39/1038240739.db2.gz QWQFIWPTQUSYJS-HXUWFJFHSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3c[nH]c4nccc(Cl)c34)C2)C1 ZINC001232455401 1038240750 /nfs/dbraw/zinc/24/07/50/1038240750.db2.gz QWQFIWPTQUSYJS-HXUWFJFHSA-N 2 2 376.932 3.539 20 0 GHADLP CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3c[nH+]c(C)[nH]3)CC2)c2ccccc21 ZINC001232461931 1038247187 /nfs/dbraw/zinc/24/71/87/1038247187.db2.gz QCUJEHBTNOIDOX-LJQANCHMSA-N 2 2 394.563 3.998 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)ccc1-n1cnc(C)c1 ZINC001232565984 1038334499 /nfs/dbraw/zinc/33/44/99/1038334499.db2.gz HXNCCEKNDSOJJG-IBGZPJMESA-N 2 2 378.476 3.546 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)ccc1-n1cnc(C)c1 ZINC001232565984 1038334518 /nfs/dbraw/zinc/33/45/18/1038334518.db2.gz HXNCCEKNDSOJJG-IBGZPJMESA-N 2 2 378.476 3.546 20 0 GHADLP Clc1cc(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)ccc1Br ZINC001247860879 1038431616 /nfs/dbraw/zinc/43/16/16/1038431616.db2.gz MXNPTGXSMBYDJH-ZDUSSCGKSA-N 2 2 397.704 3.699 20 0 GHADLP FC(F)(F)c1cc(Cl)cc(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c1 ZINC001247861991 1038432555 /nfs/dbraw/zinc/43/25/55/1038432555.db2.gz UEICNHVKQNLODM-CYBMUJFWSA-N 2 2 386.805 3.956 20 0 GHADLP Oc1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1Cl ZINC001232785938 1038551961 /nfs/dbraw/zinc/55/19/61/1038551961.db2.gz MGOZOCMUPLLUCA-UHFFFAOYSA-N 2 2 392.952 3.974 20 0 GHADLP Oc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1Cl ZINC001232785938 1038551969 /nfs/dbraw/zinc/55/19/69/1038551969.db2.gz MGOZOCMUPLLUCA-UHFFFAOYSA-N 2 2 392.952 3.974 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(O)c1Cl)CC2 ZINC001232786509 1038552516 /nfs/dbraw/zinc/55/25/16/1038552516.db2.gz ZSTIHQWXDONUJU-QGZVFWFLSA-N 2 2 390.911 3.894 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(O)c1Cl)CC2 ZINC001232786509 1038552534 /nfs/dbraw/zinc/55/25/34/1038552534.db2.gz ZSTIHQWXDONUJU-QGZVFWFLSA-N 2 2 390.911 3.894 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(OC)c2NC(=O)OC(C)(C)C)CC1 ZINC001233128613 1038913594 /nfs/dbraw/zinc/91/35/94/1038913594.db2.gz OJTQAFOUUOZYKG-UHFFFAOYSA-N 2 2 377.529 3.958 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(OC)c2NC(=O)OC(C)(C)C)CC1 ZINC001233128613 1038913604 /nfs/dbraw/zinc/91/36/04/1038913604.db2.gz OJTQAFOUUOZYKG-UHFFFAOYSA-N 2 2 377.529 3.958 20 0 GHADLP COC(=O)/C=C/c1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001233296632 1039087100 /nfs/dbraw/zinc/08/71/00/1039087100.db2.gz UWRNPGXRGCVGAQ-OUKQBFOZSA-N 2 2 378.516 3.969 20 0 GHADLP COC(=O)/C=C/c1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001233296632 1039087112 /nfs/dbraw/zinc/08/71/12/1039087112.db2.gz UWRNPGXRGCVGAQ-OUKQBFOZSA-N 2 2 378.516 3.969 20 0 GHADLP O[C@]1(C[NH2+]Cc2cc(F)ccc2C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001252946701 1039289401 /nfs/dbraw/zinc/28/94/01/1039289401.db2.gz SDFXQSXIQATQKV-IBGZPJMESA-N 2 2 382.401 3.571 20 0 GHADLP O[C@]1(C[NH2+]Cc2cc(F)ccc2C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001252946701 1039289418 /nfs/dbraw/zinc/28/94/18/1039289418.db2.gz SDFXQSXIQATQKV-IBGZPJMESA-N 2 2 382.401 3.571 20 0 GHADLP O[C@]1(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948810 1039292290 /nfs/dbraw/zinc/29/22/90/1039292290.db2.gz XUJRKCARAFTLJO-FQEVSTJZSA-N 2 2 390.449 3.921 20 0 GHADLP O[C@]1(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948810 1039292299 /nfs/dbraw/zinc/29/22/99/1039292299.db2.gz XUJRKCARAFTLJO-FQEVSTJZSA-N 2 2 390.449 3.921 20 0 GHADLP Clc1ccc2cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)ccc2n1 ZINC001233443475 1039326397 /nfs/dbraw/zinc/32/63/97/1039326397.db2.gz FSRZGRMFYAWJMS-RTBURBONSA-N 2 2 378.907 3.847 20 0 GHADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC001253409139 1039605714 /nfs/dbraw/zinc/60/57/14/1039605714.db2.gz OZANSXZIQHXUGQ-RBUKOAKNSA-N 2 2 391.353 3.877 20 0 GHADLP COc1cc(C[N@H+](CCNC(=O)OC(C)(C)C)C(C)C)ccc1-n1cc[nH+]c1 ZINC001234074640 1039810636 /nfs/dbraw/zinc/81/06/36/1039810636.db2.gz CLHUKQQEEJGZJZ-UHFFFAOYSA-N 2 2 388.512 3.616 20 0 GHADLP COc1cc(C[N@@H+](CCNC(=O)OC(C)(C)C)C(C)C)ccc1-n1cc[nH+]c1 ZINC001234074640 1039810660 /nfs/dbraw/zinc/81/06/60/1039810660.db2.gz CLHUKQQEEJGZJZ-UHFFFAOYSA-N 2 2 388.512 3.616 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC([NH2+]C3CCC4(CC4)CC3)CC2)C1 ZINC001254437033 1040230872 /nfs/dbraw/zinc/23/08/72/1040230872.db2.gz FICUFBFESUSQDD-LJQANCHMSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[C@H]([N@@H+]3Cc4ccccc4C[C@@H]3C[NH3+])C2)CC1 ZINC001254742813 1040500243 /nfs/dbraw/zinc/50/02/43/1040500243.db2.gz JLNSSTUPPKVSMO-LEWJYISDSA-N 2 2 399.579 3.942 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[C@H]([N@H+]3Cc4ccccc4C[C@@H]3C[NH3+])C2)CC1 ZINC001254742813 1040500257 /nfs/dbraw/zinc/50/02/57/1040500257.db2.gz JLNSSTUPPKVSMO-LEWJYISDSA-N 2 2 399.579 3.942 20 0 GHADLP Fc1ccccc1-c1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c[nH]1 ZINC001235032815 1040525118 /nfs/dbraw/zinc/52/51/18/1040525118.db2.gz RRMSAOUEZDYYHW-PMACEKPBSA-N 2 2 376.479 3.780 20 0 GHADLP FC(F)(F)c1cccc(Oc2cccc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)c2)c1 ZINC001235059200 1040551207 /nfs/dbraw/zinc/55/12/07/1040551207.db2.gz CKIUFKNRXXRDHS-FQEVSTJZSA-N 2 2 391.437 3.635 20 0 GHADLP FC(F)(F)c1cccc(Oc2cccc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)c2)c1 ZINC001235059200 1040551211 /nfs/dbraw/zinc/55/12/11/1040551211.db2.gz CKIUFKNRXXRDHS-FQEVSTJZSA-N 2 2 391.437 3.635 20 0 GHADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2cccc(N3CCOCC3)c2)CC1 ZINC001235087019 1040576851 /nfs/dbraw/zinc/57/68/51/1040576851.db2.gz UVZVCUZMIXCCQP-UHFFFAOYSA-N 2 2 397.538 3.759 20 0 GHADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2cccc(N3CCOCC3)c2)CC1 ZINC001235087019 1040576860 /nfs/dbraw/zinc/57/68/60/1040576860.db2.gz UVZVCUZMIXCCQP-UHFFFAOYSA-N 2 2 397.538 3.759 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C1)CCC([NH2+]CCOc1cc[nH+]cc1)CC2 ZINC001254875842 1040620092 /nfs/dbraw/zinc/62/00/92/1040620092.db2.gz PXLCLJKQBJYXSR-UHFFFAOYSA-N 2 2 375.513 3.620 20 0 GHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254914071 1040664627 /nfs/dbraw/zinc/66/46/27/1040664627.db2.gz VUGNPJSBKOVUPJ-CEQLMSFQSA-N 2 2 396.535 3.950 20 0 GHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254914071 1040664631 /nfs/dbraw/zinc/66/46/31/1040664631.db2.gz VUGNPJSBKOVUPJ-CEQLMSFQSA-N 2 2 396.535 3.950 20 0 GHADLP Brc1ccc2nc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)[nH]c2c1 ZINC001235238944 1040718814 /nfs/dbraw/zinc/71/88/14/1040718814.db2.gz GTCUTFVKLCCFPX-HNNXBMFYSA-N 2 2 377.330 3.680 20 0 GHADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnc3cc(Br)ccn23)CC1 ZINC001235293247 1040765909 /nfs/dbraw/zinc/76/59/09/1040765909.db2.gz IXGATFSFIMYKTQ-UHFFFAOYSA-N 2 2 379.346 3.793 20 0 GHADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc3cc(Br)ccn23)CC1 ZINC001235293247 1040765926 /nfs/dbraw/zinc/76/59/26/1040765926.db2.gz IXGATFSFIMYKTQ-UHFFFAOYSA-N 2 2 379.346 3.793 20 0 GHADLP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC001255103996 1040784934 /nfs/dbraw/zinc/78/49/34/1040784934.db2.gz AGXZOOACDLAYMT-XKLOLAMKSA-N 2 2 395.550 3.837 20 0 GHADLP [NH3+]C1(Cc2cccnc2)CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255132549 1040827768 /nfs/dbraw/zinc/82/77/68/1040827768.db2.gz MMKYNSRFKDMNHL-UBRQYEGLSA-N 3 2 390.575 3.613 20 0 GHADLP [NH3+]C1(Cc2cccnc2)CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255132549 1040827782 /nfs/dbraw/zinc/82/77/82/1040827782.db2.gz MMKYNSRFKDMNHL-UBRQYEGLSA-N 3 2 390.575 3.613 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001255220033 1040912704 /nfs/dbraw/zinc/91/27/04/1040912704.db2.gz GYTVWQKNPLVOEP-FNLKRUPLSA-N 2 2 382.508 3.892 20 0 GHADLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1cc3c(c(OCc4ccccc4)c1)OCO3)C2 ZINC001235400847 1040913355 /nfs/dbraw/zinc/91/33/55/1040913355.db2.gz LEPRRWCNOJVPLA-FYYLOGMGSA-N 2 2 398.478 3.518 20 0 GHADLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cc3c(c(OCc4ccccc4)c1)OCO3)C2 ZINC001235400847 1040913359 /nfs/dbraw/zinc/91/33/59/1040913359.db2.gz LEPRRWCNOJVPLA-FYYLOGMGSA-N 2 2 398.478 3.518 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1OCc1ccccc1 ZINC001235399756 1040913421 /nfs/dbraw/zinc/91/34/21/1040913421.db2.gz BCCHCHKULRDEIN-XZOQPEGZSA-N 2 2 384.495 3.798 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1OCc1ccccc1 ZINC001235399756 1040913423 /nfs/dbraw/zinc/91/34/23/1040913423.db2.gz BCCHCHKULRDEIN-XZOQPEGZSA-N 2 2 384.495 3.798 20 0 GHADLP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1cc3c(c(OCc4ccccc4)c1)OCO3)C2 ZINC001235400850 1040913497 /nfs/dbraw/zinc/91/34/97/1040913497.db2.gz LEPRRWCNOJVPLA-GMAHTHKFSA-N 2 2 398.478 3.518 20 0 GHADLP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cc3c(c(OCc4ccccc4)c1)OCO3)C2 ZINC001235400850 1040913508 /nfs/dbraw/zinc/91/35/08/1040913508.db2.gz LEPRRWCNOJVPLA-GMAHTHKFSA-N 2 2 398.478 3.518 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@H+](C)C1CC[NH2+]CC1 ZINC001235466665 1040951709 /nfs/dbraw/zinc/95/17/09/1040951709.db2.gz RVEYUJYWESVONC-UHFFFAOYSA-N 2 2 384.307 3.835 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@@H+](C)C1CC[NH2+]CC1 ZINC001235466665 1040951716 /nfs/dbraw/zinc/95/17/16/1040951716.db2.gz RVEYUJYWESVONC-UHFFFAOYSA-N 2 2 384.307 3.835 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]Cc3ccccc3C[NH+]3CCOCC3)CC2)cc1 ZINC001255381983 1040972761 /nfs/dbraw/zinc/97/27/61/1040972761.db2.gz AUCPJYJJGYINMH-RUZDIDTESA-N 3 2 393.575 3.663 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]Cc3ccccc3C[NH+]3CCOCC3)CC2)cc1 ZINC001255381983 1040972762 /nfs/dbraw/zinc/97/27/62/1040972762.db2.gz AUCPJYJJGYINMH-RUZDIDTESA-N 3 2 393.575 3.663 20 0 GHADLP FC(F)(F)COc1cc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)ncn1 ZINC001255392563 1040980063 /nfs/dbraw/zinc/98/00/63/1040980063.db2.gz JEJZSJSWKJUDBW-KRWDZBQOSA-N 2 2 394.441 3.562 20 0 GHADLP FC(F)(F)COc1cc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)ncn1 ZINC001255392563 1040980070 /nfs/dbraw/zinc/98/00/70/1040980070.db2.gz JEJZSJSWKJUDBW-KRWDZBQOSA-N 2 2 394.441 3.562 20 0 GHADLP C[C@H](CSc1ccc(F)cc1)[NH2+]C1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001255728427 1041250789 /nfs/dbraw/zinc/25/07/89/1041250789.db2.gz TUSHUABZNRHPSJ-PCVOSPCESA-N 2 2 382.545 3.878 20 0 GHADLP Cc1cccc(-c2ccc(CN3CC[NH+](C4(C)CC[NH2+]CC4)CC3)cn2)c1C ZINC001235823400 1041342763 /nfs/dbraw/zinc/34/27/63/1041342763.db2.gz YXUPWVOSUPGUDJ-UHFFFAOYSA-N 2 2 378.564 3.625 20 0 GHADLP COc1cc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c(OCc2ccccc2)cc1OC ZINC001235950908 1041456524 /nfs/dbraw/zinc/45/65/24/1041456524.db2.gz PIFRGRKCLYOBGM-IBGZPJMESA-N 2 2 384.520 3.714 20 0 GHADLP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c(OCc2ccccc2)cc1OC ZINC001235950908 1041456553 /nfs/dbraw/zinc/45/65/53/1041456553.db2.gz PIFRGRKCLYOBGM-IBGZPJMESA-N 2 2 384.520 3.714 20 0 GHADLP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236008701 1041500131 /nfs/dbraw/zinc/50/01/31/1041500131.db2.gz GEHUZLZHWGDHTO-XLIONFOSSA-N 2 2 392.421 3.567 20 0 GHADLP COc1ccc(OC(F)(F)F)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236008701 1041500136 /nfs/dbraw/zinc/50/01/36/1041500136.db2.gz GEHUZLZHWGDHTO-XLIONFOSSA-N 2 2 392.421 3.567 20 0 GHADLP Clc1cccc(I)c1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236010206 1041501641 /nfs/dbraw/zinc/50/16/41/1041501641.db2.gz SNCDMEHUDAZAST-UHFFFAOYSA-N 2 2 390.696 3.520 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CCC[C@H](c4ccccc4)C3)C2)C1 ZINC001256114965 1041542100 /nfs/dbraw/zinc/54/21/00/1041542100.db2.gz LSKKDNNEUCQPEZ-RBZQAINGSA-N 2 2 386.580 3.774 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CCC[C@H](c4ccccc4)C3)C2)C1 ZINC001256114965 1041542123 /nfs/dbraw/zinc/54/21/23/1041542123.db2.gz LSKKDNNEUCQPEZ-RBZQAINGSA-N 2 2 386.580 3.774 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H]3CCC[C@H](c4ccccc4)C3)C2)C1 ZINC001256114965 1041542139 /nfs/dbraw/zinc/54/21/39/1041542139.db2.gz LSKKDNNEUCQPEZ-RBZQAINGSA-N 2 2 386.580 3.774 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H]3CCC[C@H](c4ccccc4)C3)C2)C1 ZINC001256114965 1041542162 /nfs/dbraw/zinc/54/21/62/1041542162.db2.gz LSKKDNNEUCQPEZ-RBZQAINGSA-N 2 2 386.580 3.774 20 0 GHADLP FC(F)(F)c1ccc(Cl)c(Cl)c1C[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC001236126691 1041554564 /nfs/dbraw/zinc/55/45/64/1041554564.db2.gz CHTYOPSINLCPRN-UHFFFAOYSA-N 2 2 396.284 3.882 20 0 GHADLP C[C@H](Cc1cccc(Br)c1)[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001256178829 1041622534 /nfs/dbraw/zinc/62/25/34/1041622534.db2.gz OPQPTWVZFLKPSZ-MRXNPFEDSA-N 2 2 388.353 3.811 20 0 GHADLP COc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc(OCc2ccccc2)c1OC ZINC001236217224 1041627617 /nfs/dbraw/zinc/62/76/17/1041627617.db2.gz OFEUPZKAVJJXBI-VQTJNVASSA-N 2 2 384.520 3.985 20 0 GHADLP COc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc(OCc2ccccc2)c1OC ZINC001236217224 1041627629 /nfs/dbraw/zinc/62/76/29/1041627629.db2.gz OFEUPZKAVJJXBI-VQTJNVASSA-N 2 2 384.520 3.985 20 0 GHADLP COc1cc(C[N@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc2c1OCC=C2 ZINC001236407123 1041703287 /nfs/dbraw/zinc/70/32/87/1041703287.db2.gz BUBBRFDBBMJWRR-UHFFFAOYSA-N 2 2 382.479 3.994 20 0 GHADLP COc1cc(C[N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc2c1OCC=C2 ZINC001236407123 1041703289 /nfs/dbraw/zinc/70/32/89/1041703289.db2.gz BUBBRFDBBMJWRR-UHFFFAOYSA-N 2 2 382.479 3.994 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1CN(Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001236441190 1041712777 /nfs/dbraw/zinc/71/27/77/1041712777.db2.gz UKPAVGPJWASZFF-HXUWFJFHSA-N 2 2 381.911 3.675 20 0 GHADLP COC(=O)c1cccc(C[N@H+](Cc2cc3ccccc3o2)C2CC[NH2+]CC2)c1 ZINC001236465191 1041727147 /nfs/dbraw/zinc/72/71/47/1041727147.db2.gz QIBJAFQXLVXAQH-UHFFFAOYSA-N 2 2 378.472 3.974 20 0 GHADLP COC(=O)c1cccc(C[N@@H+](Cc2cc3ccccc3o2)C2CC[NH2+]CC2)c1 ZINC001236465191 1041727155 /nfs/dbraw/zinc/72/71/55/1041727155.db2.gz QIBJAFQXLVXAQH-UHFFFAOYSA-N 2 2 378.472 3.974 20 0 GHADLP CCOc1cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccc1OCCCOC ZINC001236472894 1041731548 /nfs/dbraw/zinc/73/15/48/1041731548.db2.gz BEIVMURLAMNJMY-HXUWFJFHSA-N 2 2 378.557 3.711 20 0 GHADLP CCOc1cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccc1OCCCOC ZINC001236472894 1041731553 /nfs/dbraw/zinc/73/15/53/1041731553.db2.gz BEIVMURLAMNJMY-HXUWFJFHSA-N 2 2 378.557 3.711 20 0 GHADLP Fc1cccc(F)c1CN(Cc1cccc(-n2cc[nH+]c2)c1)C1CC[NH2+]CC1 ZINC001236513315 1041748270 /nfs/dbraw/zinc/74/82/70/1041748270.db2.gz RTVYPYKMGAHBJQ-UHFFFAOYSA-N 2 2 382.458 3.905 20 0 GHADLP Cc1ccccc1C[N@H+](Cc1n[nH]cc1Br)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236555370 1041760450 /nfs/dbraw/zinc/76/04/50/1041760450.db2.gz ISPRYXPCZNIINT-WKILWMFISA-N 2 2 377.330 3.753 20 0 GHADLP Cc1ccccc1C[N@@H+](Cc1n[nH]cc1Br)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236555370 1041760459 /nfs/dbraw/zinc/76/04/59/1041760459.db2.gz ISPRYXPCZNIINT-WKILWMFISA-N 2 2 377.330 3.753 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(Cc3ccc(OCc4ccccc4)cc3Cl)CC2)C1 ZINC001236621294 1041788011 /nfs/dbraw/zinc/78/80/11/1041788011.db2.gz KLHWPRYKNCRSEQ-HXUWFJFHSA-N 2 2 399.966 3.916 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](C2CCN(Cc3ccc(OCc4ccccc4)cc3Cl)CC2)C1 ZINC001236621294 1041788016 /nfs/dbraw/zinc/78/80/16/1041788016.db2.gz KLHWPRYKNCRSEQ-HXUWFJFHSA-N 2 2 399.966 3.916 20 0 GHADLP Ic1csc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236653053 1041805282 /nfs/dbraw/zinc/80/52/82/1041805282.db2.gz IQNWDSBAWXPUAA-CQSZACIVSA-N 2 2 390.334 3.849 20 0 GHADLP Ic1csc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236653053 1041805286 /nfs/dbraw/zinc/80/52/86/1041805286.db2.gz IQNWDSBAWXPUAA-CQSZACIVSA-N 2 2 390.334 3.849 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](Cc3cccc4ccoc43)CC2)C1 ZINC001236742445 1041868709 /nfs/dbraw/zinc/86/87/09/1041868709.db2.gz KXAOUNXEPWARRU-IBGZPJMESA-N 2 2 399.535 3.996 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CC[NH+](Cc3cccc4ccoc43)CC2)C1 ZINC001236742445 1041868715 /nfs/dbraw/zinc/86/87/15/1041868715.db2.gz KXAOUNXEPWARRU-IBGZPJMESA-N 2 2 399.535 3.996 20 0 GHADLP Clc1cc2ccccc2nc1C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001236868112 1041935074 /nfs/dbraw/zinc/93/50/74/1041935074.db2.gz QQGAGMXDHCNZJB-UHFFFAOYSA-N 2 2 395.938 3.739 20 0 GHADLP Clc1cc2ccccc2nc1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001236868112 1041935078 /nfs/dbraw/zinc/93/50/78/1041935078.db2.gz QQGAGMXDHCNZJB-UHFFFAOYSA-N 2 2 395.938 3.739 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236915171 1041955797 /nfs/dbraw/zinc/95/57/97/1041955797.db2.gz ZNCBJWUZZDYSIC-MRXNPFEDSA-N 2 2 390.915 3.872 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236915171 1041955798 /nfs/dbraw/zinc/95/57/98/1041955798.db2.gz ZNCBJWUZZDYSIC-MRXNPFEDSA-N 2 2 390.915 3.872 20 0 GHADLP COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236917282 1041957402 /nfs/dbraw/zinc/95/74/02/1041957402.db2.gz JOEULDBYPFEOAK-PMACEKPBSA-N 2 2 375.900 3.543 20 0 GHADLP COC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236917282 1041957406 /nfs/dbraw/zinc/95/74/06/1041957406.db2.gz JOEULDBYPFEOAK-PMACEKPBSA-N 2 2 375.900 3.543 20 0 GHADLP F[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[C@@H]1[NH+]1CCCCC1 ZINC001236928128 1041962238 /nfs/dbraw/zinc/96/22/38/1041962238.db2.gz IMXKADCCEALCTP-PMACEKPBSA-N 2 2 376.907 3.924 20 0 GHADLP Fc1ccc(-c2cncc(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c2)cc1 ZINC001237001606 1041986020 /nfs/dbraw/zinc/98/60/20/1041986020.db2.gz UDCBCAOTXVYHPD-VXKWHMMOSA-N 2 2 388.490 3.847 20 0 GHADLP FC(F)(F)[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001237015311 1041991684 /nfs/dbraw/zinc/99/16/84/1041991684.db2.gz JDXDIKRQRYMREM-OAQYLSRUSA-N 2 2 389.465 3.581 20 0 GHADLP FC(F)(F)[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001237015311 1041991690 /nfs/dbraw/zinc/99/16/90/1041991690.db2.gz JDXDIKRQRYMREM-OAQYLSRUSA-N 2 2 389.465 3.581 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1ccc(C3CCC3)cc1)CCC2 ZINC001237105408 1042039513 /nfs/dbraw/zinc/03/95/13/1042039513.db2.gz MZFBLJPWLNDVLJ-UHFFFAOYSA-N 2 2 394.563 3.757 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1ccc(C3CCC3)cc1)CCC2 ZINC001237105408 1042039517 /nfs/dbraw/zinc/03/95/17/1042039517.db2.gz MZFBLJPWLNDVLJ-UHFFFAOYSA-N 2 2 394.563 3.757 20 0 GHADLP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1ccc(C3CCC3)cc1)CCC2 ZINC001237105408 1042039520 /nfs/dbraw/zinc/03/95/20/1042039520.db2.gz MZFBLJPWLNDVLJ-UHFFFAOYSA-N 2 2 394.563 3.757 20 0 GHADLP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](Cc1ccc(C3CCC3)cc1)CCC2 ZINC001237105408 1042039525 /nfs/dbraw/zinc/03/95/25/1042039525.db2.gz MZFBLJPWLNDVLJ-UHFFFAOYSA-N 2 2 394.563 3.757 20 0 GHADLP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001462586230 1070391840 /nfs/dbraw/zinc/39/18/40/1070391840.db2.gz NWTXHZYWHICRJC-MRXNPFEDSA-N 2 2 396.482 3.603 20 0 GHADLP CC(C)CC(=O)OCc1cocc2c(C[N@@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)ccc1-2 ZINC001237288924 1042125914 /nfs/dbraw/zinc/12/59/14/1042125914.db2.gz PNMDNYDJTMKRAK-AUSIDOKSSA-N 2 2 384.520 3.857 20 0 GHADLP CC(C)CC(=O)OCc1cocc2c(C[N@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)ccc1-2 ZINC001237288924 1042125916 /nfs/dbraw/zinc/12/59/16/1042125916.db2.gz PNMDNYDJTMKRAK-AUSIDOKSSA-N 2 2 384.520 3.857 20 0 GHADLP c1ccc(Oc2cnccn2)c(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)c1 ZINC001237299749 1042132035 /nfs/dbraw/zinc/13/20/35/1042132035.db2.gz HXRDEISIZIMLOK-UHFFFAOYSA-N 2 2 386.499 3.906 20 0 GHADLP Fc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c2ncccc12 ZINC001237426851 1042203954 /nfs/dbraw/zinc/20/39/54/1042203954.db2.gz YRBOCGHHYYITCJ-UHFFFAOYSA-N 2 2 395.478 3.834 20 0 GHADLP Fc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c2ncccc12 ZINC001237426851 1042203960 /nfs/dbraw/zinc/20/39/60/1042203960.db2.gz YRBOCGHHYYITCJ-UHFFFAOYSA-N 2 2 395.478 3.834 20 0 GHADLP Cc1ncc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1Br ZINC001237549955 1042260134 /nfs/dbraw/zinc/26/01/34/1042260134.db2.gz JYDCWOMSPYHWPB-CALCHBBNSA-N 2 2 390.325 3.699 20 0 GHADLP Cc1ncc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1Br ZINC001237549955 1042260138 /nfs/dbraw/zinc/26/01/38/1042260138.db2.gz JYDCWOMSPYHWPB-CALCHBBNSA-N 2 2 390.325 3.699 20 0 GHADLP Cc1ncc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cc1Br ZINC001237549955 1042260141 /nfs/dbraw/zinc/26/01/41/1042260141.db2.gz JYDCWOMSPYHWPB-CALCHBBNSA-N 2 2 390.325 3.699 20 0 GHADLP Cc1ncc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cc1Br ZINC001237549955 1042260145 /nfs/dbraw/zinc/26/01/45/1042260145.db2.gz JYDCWOMSPYHWPB-CALCHBBNSA-N 2 2 390.325 3.699 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccccc3Oc3cnccn3)C2)C1 ZINC001238012623 1042459137 /nfs/dbraw/zinc/45/91/37/1042459137.db2.gz UZWLKVVRQUYGIM-HSZRJFAPSA-N 2 2 396.535 3.592 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccccc3Oc3cnccn3)C2)C1 ZINC001238012623 1042459138 /nfs/dbraw/zinc/45/91/38/1042459138.db2.gz UZWLKVVRQUYGIM-HSZRJFAPSA-N 2 2 396.535 3.592 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccccc3Oc3cnccn3)C2)C1 ZINC001238012623 1042459139 /nfs/dbraw/zinc/45/91/39/1042459139.db2.gz UZWLKVVRQUYGIM-HSZRJFAPSA-N 2 2 396.535 3.592 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccccc3Oc3cnccn3)C2)C1 ZINC001238012623 1042459141 /nfs/dbraw/zinc/45/91/41/1042459141.db2.gz UZWLKVVRQUYGIM-HSZRJFAPSA-N 2 2 396.535 3.592 20 0 GHADLP COc1c(C)c[nH+]c(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001238176041 1042509396 /nfs/dbraw/zinc/50/93/96/1042509396.db2.gz KLMSAVIXWJYBRB-RRPUWOKSSA-N 2 2 394.563 3.835 20 0 GHADLP COc1c(C)c[nH+]c(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001238176041 1042509405 /nfs/dbraw/zinc/50/94/05/1042509405.db2.gz KLMSAVIXWJYBRB-RRPUWOKSSA-N 2 2 394.563 3.835 20 0 GHADLP COc1c(C)cnc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001238176041 1042509409 /nfs/dbraw/zinc/50/94/09/1042509409.db2.gz KLMSAVIXWJYBRB-RRPUWOKSSA-N 2 2 394.563 3.835 20 0 GHADLP COc1c(C)cnc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001238176041 1042509416 /nfs/dbraw/zinc/50/94/16/1042509416.db2.gz KLMSAVIXWJYBRB-RRPUWOKSSA-N 2 2 394.563 3.835 20 0 GHADLP COc1c(C)cnc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001238176041 1042509421 /nfs/dbraw/zinc/50/94/21/1042509421.db2.gz KLMSAVIXWJYBRB-RRPUWOKSSA-N 2 2 394.563 3.835 20 0 GHADLP Fc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1-c1ccncc1 ZINC001238559914 1042640481 /nfs/dbraw/zinc/64/04/81/1042640481.db2.gz HXTYSWKXFUGEAV-VXKWHMMOSA-N 2 2 388.490 3.847 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)cc1OC(C)C)C2 ZINC001238694066 1042687997 /nfs/dbraw/zinc/68/79/97/1042687997.db2.gz YPLCOUZOXXWBOB-OFNKIYASSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)cc1OC(C)C)C2 ZINC001238694066 1042688003 /nfs/dbraw/zinc/68/80/03/1042688003.db2.gz YPLCOUZOXXWBOB-OFNKIYASSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(F)cc1OC(C)C)C2 ZINC001238694066 1042688008 /nfs/dbraw/zinc/68/80/08/1042688008.db2.gz YPLCOUZOXXWBOB-OFNKIYASSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(F)cc1OC(C)C)C2 ZINC001238694066 1042688011 /nfs/dbraw/zinc/68/80/11/1042688011.db2.gz YPLCOUZOXXWBOB-OFNKIYASSA-N 2 2 390.543 3.793 20 0 GHADLP Cc1cc(F)cc(-c2cccc(CC[NH+]3CCOCC3)c2)c1C[NH+]1CCOCC1 ZINC001240277415 1042916901 /nfs/dbraw/zinc/91/69/01/1042916901.db2.gz ZUMVQLRAFPFYIG-UHFFFAOYSA-N 2 2 398.522 3.508 20 0 GHADLP C1=CC2(CC[NH2+]CC2)c2c1cccc2-c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001240449278 1042930592 /nfs/dbraw/zinc/93/05/92/1042930592.db2.gz FFENLYRUMJGRJD-UHFFFAOYSA-N 2 2 390.527 3.713 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256556145 1043525496 /nfs/dbraw/zinc/52/54/96/1043525496.db2.gz XGQHDQOPRPBTGF-JPYJTQIMSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256556145 1043525499 /nfs/dbraw/zinc/52/54/99/1043525499.db2.gz XGQHDQOPRPBTGF-JPYJTQIMSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)C[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256556145 1043525510 /nfs/dbraw/zinc/52/55/10/1043525510.db2.gz XGQHDQOPRPBTGF-JPYJTQIMSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)C[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256556145 1043525520 /nfs/dbraw/zinc/52/55/20/1043525520.db2.gz XGQHDQOPRPBTGF-JPYJTQIMSA-N 2 2 378.516 3.884 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256556933 1043527381 /nfs/dbraw/zinc/52/73/81/1043527381.db2.gz JFWWVEVDFXPQJX-ILWGZMRPSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256556933 1043527388 /nfs/dbraw/zinc/52/73/88/1043527388.db2.gz JFWWVEVDFXPQJX-ILWGZMRPSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256556933 1043527392 /nfs/dbraw/zinc/52/73/92/1043527392.db2.gz JFWWVEVDFXPQJX-ILWGZMRPSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256556933 1043527399 /nfs/dbraw/zinc/52/73/99/1043527399.db2.gz JFWWVEVDFXPQJX-ILWGZMRPSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256556942 1043528231 /nfs/dbraw/zinc/52/82/31/1043528231.db2.gz JHPSJYXDMAMDGD-KSEOMHKRSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256556942 1043528242 /nfs/dbraw/zinc/52/82/42/1043528242.db2.gz JHPSJYXDMAMDGD-KSEOMHKRSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256556942 1043528249 /nfs/dbraw/zinc/52/82/49/1043528249.db2.gz JHPSJYXDMAMDGD-KSEOMHKRSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256556942 1043528255 /nfs/dbraw/zinc/52/82/55/1043528255.db2.gz JHPSJYXDMAMDGD-KSEOMHKRSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cc(C)n(-c2ccc(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)cc2)n1 ZINC001256580466 1043551281 /nfs/dbraw/zinc/55/12/81/1043551281.db2.gz QTEKCSDILBQJAF-UHFFFAOYSA-N 2 2 375.520 3.638 20 0 GHADLP c1ccc(CC2(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)CCOCC2)cc1 ZINC001256584064 1043553353 /nfs/dbraw/zinc/55/33/53/1043553353.db2.gz DOAJVQOEPGXCBM-UHFFFAOYSA-N 2 2 379.548 3.675 20 0 GHADLP CCOC(=O)C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC001256600864 1043564135 /nfs/dbraw/zinc/56/41/35/1043564135.db2.gz IJZOUZLNGOLPAL-QFIPXVFZSA-N 2 2 382.504 3.641 20 0 GHADLP COc1cccc2c1CC[C@@H]([N@@H+]1CCn3c(C[NH+](C)C(C)C)cnc3[C@H]1C)C2 ZINC001256651433 1043596331 /nfs/dbraw/zinc/59/63/31/1043596331.db2.gz MJTLBBMPFKQTEY-IEBWSBKVSA-N 2 2 382.552 3.666 20 0 GHADLP COc1cccc2c1CC[C@@H]([N@H+]1CCn3c(C[NH+](C)C(C)C)cnc3[C@H]1C)C2 ZINC001256651433 1043596344 /nfs/dbraw/zinc/59/63/44/1043596344.db2.gz MJTLBBMPFKQTEY-IEBWSBKVSA-N 2 2 382.552 3.666 20 0 GHADLP COc1cccc2c1CC[C@@H]([NH+]1CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]1C)C2 ZINC001256651433 1043596351 /nfs/dbraw/zinc/59/63/51/1043596351.db2.gz MJTLBBMPFKQTEY-IEBWSBKVSA-N 2 2 382.552 3.666 20 0 GHADLP COc1cccc2c1CC[C@@H]([NH+]1CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]1C)C2 ZINC001256651433 1043596356 /nfs/dbraw/zinc/59/63/56/1043596356.db2.gz MJTLBBMPFKQTEY-IEBWSBKVSA-N 2 2 382.552 3.666 20 0 GHADLP C[C@@H](Cc1ccncc1)[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001256739285 1043642963 /nfs/dbraw/zinc/64/29/63/1043642963.db2.gz AWCNNXYTYGKQET-RXVVDRJESA-N 2 2 386.490 3.641 20 0 GHADLP C[C@@H](Cc1ccncc1)[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001256739285 1043642969 /nfs/dbraw/zinc/64/29/69/1043642969.db2.gz AWCNNXYTYGKQET-RXVVDRJESA-N 2 2 386.490 3.641 20 0 GHADLP C[C@@H](Cc1ccncc1)[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001256739285 1043642975 /nfs/dbraw/zinc/64/29/75/1043642975.db2.gz AWCNNXYTYGKQET-RXVVDRJESA-N 2 2 386.490 3.641 20 0 GHADLP C[C@@H](Cc1ccncc1)[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001256739285 1043642986 /nfs/dbraw/zinc/64/29/86/1043642986.db2.gz AWCNNXYTYGKQET-RXVVDRJESA-N 2 2 386.490 3.641 20 0 GHADLP CC(C)[NH+]1CCC([NH2+]Cc2cncn2Cc2ccccc2Br)CC1 ZINC001257212159 1043938900 /nfs/dbraw/zinc/93/89/00/1043938900.db2.gz WJAFEUXDWDPVGK-UHFFFAOYSA-N 2 2 391.357 3.656 20 0 GHADLP CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001293138367 1044033568 /nfs/dbraw/zinc/03/35/68/1044033568.db2.gz UGLYSZNLGSUECP-NRFANRHFSA-N 2 2 398.551 3.574 20 0 GHADLP CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001293138367 1044033581 /nfs/dbraw/zinc/03/35/81/1044033581.db2.gz UGLYSZNLGSUECP-NRFANRHFSA-N 2 2 398.551 3.574 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]cc2-c2nnc([C@H]3C[C@H]3c3ccc(Cl)cc3)o2)CC1 ZINC001257708158 1044125579 /nfs/dbraw/zinc/12/55/79/1044125579.db2.gz HRFWNAUUUPGEIX-IRXDYDNUSA-N 2 2 395.894 3.808 20 0 GHADLP CN(C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC001293349417 1044128716 /nfs/dbraw/zinc/12/87/16/1044128716.db2.gz HHPULYTZKNKRAZ-KDURUIRLSA-N 2 2 396.535 3.656 20 0 GHADLP COc1ccc([C@H]([NH3+])[C@@H]([NH2+]C2CCC3(COC3)CC2)c2ccc(OC)cc2)cc1 ZINC001257900795 1044251463 /nfs/dbraw/zinc/25/14/63/1044251463.db2.gz NTLZKQHCKZQOAH-GOTSBHOMSA-N 2 2 396.531 3.994 20 0 GHADLP O[C@@H](C[NH2+]C1CCC2(COC2)CC1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001257898873 1044251769 /nfs/dbraw/zinc/25/17/69/1044251769.db2.gz AVYSSNRGWZYKFE-DEOSSOPVSA-N 2 2 394.559 3.599 20 0 GHADLP Cc1[nH+]cn([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)c1CC[NH3+] ZINC001257974705 1044298311 /nfs/dbraw/zinc/29/83/11/1044298311.db2.gz ZCSSCWGQVGZCSB-PMACEKPBSA-N 2 2 398.551 3.876 20 0 GHADLP c1csc(C[NH+]2C[C@@H]3C[NH+](C4CC[NH+](CCc5ccccc5)CC4)C[C@H]3C2)c1 ZINC001258141826 1044427078 /nfs/dbraw/zinc/42/70/78/1044427078.db2.gz DJMJTODJMUYDPB-FGZHOGPDSA-N 3 2 395.616 3.819 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C[C@@H]21 ZINC001258143398 1044429736 /nfs/dbraw/zinc/42/97/36/1044429736.db2.gz MHZYBMRYAPFAHD-UNMCSNQZSA-N 2 2 399.579 3.635 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C[C@@H]21 ZINC001258143398 1044429737 /nfs/dbraw/zinc/42/97/37/1044429737.db2.gz MHZYBMRYAPFAHD-UNMCSNQZSA-N 2 2 399.579 3.635 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C[NH+](C3CC[NH+](CCc4ccccc4)CC3)C2)C1 ZINC001258145087 1044432923 /nfs/dbraw/zinc/43/29/23/1044432923.db2.gz YOOKMHYHULQTBP-UHFFFAOYSA-N 2 2 399.579 3.636 20 0 GHADLP C[C@@H](Cc1ccco1)[NH2+]C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001258178736 1044456262 /nfs/dbraw/zinc/45/62/62/1044456262.db2.gz LEJBMDGPWJOUHN-NZQKXSOJSA-N 2 2 378.516 3.864 20 0 GHADLP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001258302437 1044499087 /nfs/dbraw/zinc/49/90/87/1044499087.db2.gz LPWKDNPODIEPCW-BHYGNILZSA-N 2 2 397.585 3.606 20 0 GHADLP CCCCC[C@@H](CC)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001258442012 1044566271 /nfs/dbraw/zinc/56/62/71/1044566271.db2.gz BJEZHUKVIILJHT-OAQYLSRUSA-N 3 2 378.649 3.522 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC001294800348 1044798048 /nfs/dbraw/zinc/79/80/48/1044798048.db2.gz CSGRBQHFHOTVBT-TYCQWZJGSA-N 2 2 385.939 3.722 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC001294800348 1044798059 /nfs/dbraw/zinc/79/80/59/1044798059.db2.gz CSGRBQHFHOTVBT-TYCQWZJGSA-N 2 2 385.939 3.722 20 0 GHADLP COc1cc(C[C@H](C)n2c[nH+]cc2-c2cccc(C[NH3+])c2)cc(OC)c1OC ZINC001258864971 1044806264 /nfs/dbraw/zinc/80/62/64/1044806264.db2.gz JFFPTKYYNPWWPK-HNNXBMFYSA-N 2 2 381.476 3.838 20 0 GHADLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](Cc1ccccc1Br)C(=O)OC ZINC001258907510 1044861450 /nfs/dbraw/zinc/86/14/50/1044861450.db2.gz RXFNFWJGXBBSAZ-QAPCUYQASA-N 2 2 399.373 3.633 20 0 GHADLP CC(C)(C)N1CC[NH+](CC[Si](C)(C)CCN2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001261794517 1046096391 /nfs/dbraw/zinc/09/63/91/1046096391.db2.gz RLLOTWIVOZSCRR-UHFFFAOYSA-N 2 2 396.740 3.527 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)o1 ZINC001301663281 1046647781 /nfs/dbraw/zinc/64/77/81/1046647781.db2.gz UPRFJVYMHRYDSH-GOSISDBHSA-N 2 2 375.900 3.562 20 0 GHADLP C[NH+](C)Cc1cc(NC(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)ccn1 ZINC001263648286 1047019874 /nfs/dbraw/zinc/01/98/74/1047019874.db2.gz NLIXSPWOAQNLPY-MRXNPFEDSA-N 2 2 384.528 3.506 20 0 GHADLP Clc1nc(Cl)c(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)s1 ZINC001279171126 1047736348 /nfs/dbraw/zinc/73/63/48/1047736348.db2.gz IHHIXNSWERQKKD-CVEARBPZSA-N 2 2 386.352 3.898 20 0 GHADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(C(F)(F)F)c1Cl ZINC001279367283 1047782990 /nfs/dbraw/zinc/78/29/90/1047782990.db2.gz XLBLURQNBOFXHN-HOTGVXAUSA-N 2 2 375.866 3.569 20 0 GHADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(C(F)(F)F)c1Cl ZINC001279367283 1047782995 /nfs/dbraw/zinc/78/29/95/1047782995.db2.gz XLBLURQNBOFXHN-HOTGVXAUSA-N 2 2 375.866 3.569 20 0 GHADLP CCn1ccnc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1scnc1Cl)CC2 ZINC001279420591 1047800556 /nfs/dbraw/zinc/80/05/56/1047800556.db2.gz ZZAFOZSHVBQMLV-UHFFFAOYSA-N 2 2 379.961 3.501 20 0 GHADLP CCn1ccnc1C[N@H+]1CCC2(C1)CC[NH+](Cc1scnc1Cl)CC2 ZINC001279420591 1047800565 /nfs/dbraw/zinc/80/05/65/1047800565.db2.gz ZZAFOZSHVBQMLV-UHFFFAOYSA-N 2 2 379.961 3.501 20 0 GHADLP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3c(F)cc(F)cc3Cl)CC2)C1 ZINC001279469200 1047817901 /nfs/dbraw/zinc/81/79/01/1047817901.db2.gz NSHSBZHJKMGYBM-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3c(F)cc(F)cc3Cl)CC2)C1 ZINC001279469200 1047817903 /nfs/dbraw/zinc/81/79/03/1047817903.db2.gz NSHSBZHJKMGYBM-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP CCN(C(=O)C1CC[NH+](C2CC[NH+](Cc3cccs3)CC2)CC1)C(C)C ZINC001279772534 1047945922 /nfs/dbraw/zinc/94/59/22/1047945922.db2.gz STQRDRUSQJUGKZ-UHFFFAOYSA-N 2 2 377.598 3.681 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@H]4CCCC[C@H]43)CC2)cc1 ZINC001307604580 1049442391 /nfs/dbraw/zinc/44/23/91/1049442391.db2.gz UGLKBZLMFCENCJ-TUACAJSNSA-N 2 2 397.607 3.965 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](C)[C@H]4CCCC[C@H]43)CC2)cc1 ZINC001307604580 1049442397 /nfs/dbraw/zinc/44/23/97/1049442397.db2.gz UGLKBZLMFCENCJ-TUACAJSNSA-N 2 2 397.607 3.965 20 0 GHADLP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCN(c4cc[nH+]cc4)C[C@H]3C)n2)cc1F ZINC001308087926 1049834472 /nfs/dbraw/zinc/83/44/72/1049834472.db2.gz AEZZLNUGYNUHRF-CVEARBPZSA-N 2 2 381.455 3.851 20 0 GHADLP Cc1ccc(-c2noc([C@H](C)[N@H+]3CCN(c4cc[nH+]cc4)C[C@H]3C)n2)cc1F ZINC001308087926 1049834484 /nfs/dbraw/zinc/83/44/84/1049834484.db2.gz AEZZLNUGYNUHRF-CVEARBPZSA-N 2 2 381.455 3.851 20 0 GHADLP C[C@H]1C[NH+](CCC[NH2+]CC(C)(C)c2ccc(Br)cc2)C[C@H](C)O1 ZINC001308188799 1049905979 /nfs/dbraw/zinc/90/59/79/1049905979.db2.gz LJLGXODTBDBQJQ-HOTGVXAUSA-N 2 2 383.374 3.816 20 0 GHADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1c(F)cc(Br)cc1F ZINC001308230385 1049920319 /nfs/dbraw/zinc/92/03/19/1049920319.db2.gz YBJBKTWFWWBWDP-UHFFFAOYSA-N 2 2 399.279 3.958 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)[C@H](C)C1 ZINC001308269126 1049931795 /nfs/dbraw/zinc/93/17/95/1049931795.db2.gz IGSPQGZNINNAQW-KDOFPFPSSA-N 2 2 387.337 3.815 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)[C@H](C)C1 ZINC001308269126 1049931796 /nfs/dbraw/zinc/93/17/96/1049931796.db2.gz IGSPQGZNINNAQW-KDOFPFPSSA-N 2 2 387.337 3.815 20 0 GHADLP Cc1ccc(Br)c(F)c1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC001308331395 1049950591 /nfs/dbraw/zinc/95/05/91/1049950591.db2.gz VRIOEGSVDQNSDU-QZTJIDSGSA-N 2 2 399.348 3.754 20 0 GHADLP CC1(C)C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001308346682 1049954441 /nfs/dbraw/zinc/95/44/41/1049954441.db2.gz JTVKHLARJOKRCI-QFIPXVFZSA-N 3 2 378.564 3.941 20 0 GHADLP CC1(C)C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001308346682 1049954443 /nfs/dbraw/zinc/95/44/43/1049954443.db2.gz JTVKHLARJOKRCI-QFIPXVFZSA-N 3 2 378.564 3.941 20 0 GHADLP CCCn1c[nH+]cc1CNc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC001308448502 1049978720 /nfs/dbraw/zinc/97/87/20/1049978720.db2.gz IZRLOOOEUPCRRS-UHFFFAOYSA-N 2 2 394.361 3.666 20 0 GHADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001308963880 1050226632 /nfs/dbraw/zinc/22/66/32/1050226632.db2.gz SEMLJYVQLGNXGI-OUJCMCIWSA-N 2 2 391.559 3.692 20 0 GHADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001308963880 1050226646 /nfs/dbraw/zinc/22/66/46/1050226646.db2.gz SEMLJYVQLGNXGI-OUJCMCIWSA-N 2 2 391.559 3.692 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)n2c1CCCC2 ZINC001308984224 1050245026 /nfs/dbraw/zinc/24/50/26/1050245026.db2.gz XQLIJAXBQOYRMX-QGZVFWFLSA-N 2 2 398.551 3.942 20 0 GHADLP COC(=O)c1cc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)n2c1CCCC2 ZINC001308984224 1050245038 /nfs/dbraw/zinc/24/50/38/1050245038.db2.gz XQLIJAXBQOYRMX-QGZVFWFLSA-N 2 2 398.551 3.942 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCCC2(CC[NH2+]CC2)C1 ZINC001328692128 1050595167 /nfs/dbraw/zinc/59/51/67/1050595167.db2.gz DHYKNSCDNWWHHN-UHFFFAOYSA-N 2 2 391.519 3.599 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+]CCC(=O)Nc2ccccc2)CCOCC1)c1ccccc1 ZINC001335381670 1052088405 /nfs/dbraw/zinc/08/84/05/1052088405.db2.gz OZDARAMFRJLBKF-LJQANCHMSA-N 2 2 381.520 3.505 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)c1ccccc1 ZINC001335892759 1052198131 /nfs/dbraw/zinc/19/81/31/1052198131.db2.gz RTMMJAORTNEUCM-PZJWPPBQSA-N 2 2 399.922 3.525 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1C ZINC001311778638 1052391941 /nfs/dbraw/zinc/39/19/41/1052391941.db2.gz QXFSKAQELJZICV-UHFFFAOYSA-N 2 2 390.572 3.749 20 0 GHADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001313385977 1053039565 /nfs/dbraw/zinc/03/95/65/1053039565.db2.gz SUEHYBDUBJOIGY-MSOLQXFVSA-N 2 2 377.577 3.503 20 0 GHADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001318573644 1054727758 /nfs/dbraw/zinc/72/77/58/1054727758.db2.gz NBNSPOOYWXEXHP-QFIPXVFZSA-N 2 2 380.536 3.917 20 0 GHADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001318573644 1054727772 /nfs/dbraw/zinc/72/77/72/1054727772.db2.gz NBNSPOOYWXEXHP-QFIPXVFZSA-N 2 2 380.536 3.917 20 0 GHADLP C[NH+](C)Cc1cccc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)c1 ZINC001318850650 1054916009 /nfs/dbraw/zinc/91/60/09/1054916009.db2.gz LHXGKBFKRBWBMN-UHFFFAOYSA-N 2 2 391.519 3.863 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1 ZINC001319127770 1055050210 /nfs/dbraw/zinc/05/02/10/1055050210.db2.gz KPEFQMUCFPFQBN-UHFFFAOYSA-N 2 2 398.470 3.956 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC001319179158 1055082784 /nfs/dbraw/zinc/08/27/84/1055082784.db2.gz ZFFUKZCVDZFCIS-KSEOMHKRSA-N 2 2 380.536 3.656 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC001319179158 1055082803 /nfs/dbraw/zinc/08/28/03/1055082803.db2.gz ZFFUKZCVDZFCIS-KSEOMHKRSA-N 2 2 380.536 3.656 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cccc(C(=O)NCC(C)C)c2)[nH+]1 ZINC001319492372 1055288731 /nfs/dbraw/zinc/28/87/31/1055288731.db2.gz WQEWKIQQJKRBDP-NRFANRHFSA-N 2 2 380.536 3.852 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cccc(C(=O)NCC(C)C)c2)[nH+]1 ZINC001319492372 1055288741 /nfs/dbraw/zinc/28/87/41/1055288741.db2.gz WQEWKIQQJKRBDP-NRFANRHFSA-N 2 2 380.536 3.852 20 0 GHADLP Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc(C)[nH+]1 ZINC001319822385 1055489835 /nfs/dbraw/zinc/48/98/35/1055489835.db2.gz PSCZADYADQMAQL-HNAYVOBHSA-N 2 2 390.890 3.727 20 0 GHADLP Cc1cc(NC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc(C)[nH+]1 ZINC001319822385 1055489842 /nfs/dbraw/zinc/48/98/42/1055489842.db2.gz PSCZADYADQMAQL-HNAYVOBHSA-N 2 2 390.890 3.727 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001320250226 1055723189 /nfs/dbraw/zinc/72/31/89/1055723189.db2.gz WLRWVKZZBMZCLD-MRXNPFEDSA-N 2 2 399.495 3.551 20 0 GHADLP CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001340902104 1060234952 /nfs/dbraw/zinc/23/49/52/1060234952.db2.gz GKWCVDYMMRRBJO-IBGZPJMESA-N 2 2 398.599 3.802 20 0 GHADLP CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001340902104 1060234970 /nfs/dbraw/zinc/23/49/70/1060234970.db2.gz GKWCVDYMMRRBJO-IBGZPJMESA-N 2 2 398.599 3.802 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001450289178 1060570579 /nfs/dbraw/zinc/57/05/79/1060570579.db2.gz CTUFSADBZDATJG-RTWAWAEBSA-N 2 2 391.987 3.883 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001450289178 1060570598 /nfs/dbraw/zinc/57/05/98/1060570598.db2.gz CTUFSADBZDATJG-RTWAWAEBSA-N 2 2 391.987 3.883 20 0 GHADLP CC(C)C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001450289178 1060570618 /nfs/dbraw/zinc/57/06/18/1060570618.db2.gz CTUFSADBZDATJG-RTWAWAEBSA-N 2 2 391.987 3.883 20 0 GHADLP CC(C)C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001450289178 1060570637 /nfs/dbraw/zinc/57/06/37/1060570637.db2.gz CTUFSADBZDATJG-RTWAWAEBSA-N 2 2 391.987 3.883 20 0 GHADLP Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001341455877 1060692310 /nfs/dbraw/zinc/69/23/10/1060692310.db2.gz MZPNQIXGODZXNV-UHFFFAOYSA-N 2 2 392.850 3.976 20 0 GHADLP O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1cc2c(s1)C[NH2+]CC2 ZINC001341628061 1060782510 /nfs/dbraw/zinc/78/25/10/1060782510.db2.gz WEZQVAQRVHXOPE-UHFFFAOYSA-N 2 2 395.532 3.508 20 0 GHADLP Cc1c(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)ccc2c[nH+]cn21 ZINC001342093015 1061053981 /nfs/dbraw/zinc/05/39/81/1061053981.db2.gz SFMCPWGUUGTBJZ-UHFFFAOYSA-N 2 2 382.895 3.644 20 0 GHADLP Cc1c(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)ccc2c[nH+]cn21 ZINC001342093015 1061053996 /nfs/dbraw/zinc/05/39/96/1061053996.db2.gz SFMCPWGUUGTBJZ-UHFFFAOYSA-N 2 2 382.895 3.644 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NCc3ccccc3C[NH+]3CCCCCC3)ccn12 ZINC001456256129 1062579753 /nfs/dbraw/zinc/57/97/53/1062579753.db2.gz NXLHHGXGIJLIAK-UHFFFAOYSA-N 2 2 376.504 3.949 20 0 GHADLP C[N@H+](CCN1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)Cc1ccccc1 ZINC001459451623 1064102150 /nfs/dbraw/zinc/10/21/50/1064102150.db2.gz VGCWNPDJYFVPPN-UHFFFAOYSA-N 2 2 391.481 3.955 20 0 GHADLP C[N@@H+](CCN1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)Cc1ccccc1 ZINC001459451623 1064102154 /nfs/dbraw/zinc/10/21/54/1064102154.db2.gz VGCWNPDJYFVPPN-UHFFFAOYSA-N 2 2 391.481 3.955 20 0 GHADLP CC[C@H](C[N@H+](CC)CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC001459991304 1064326444 /nfs/dbraw/zinc/32/64/44/1064326444.db2.gz NFYMTHDVTHBIKJ-OAQYLSRUSA-N 2 2 399.604 3.908 20 0 GHADLP CC[C@H](C[N@@H+](CC)CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC001459991304 1064326458 /nfs/dbraw/zinc/32/64/58/1064326458.db2.gz NFYMTHDVTHBIKJ-OAQYLSRUSA-N 2 2 399.604 3.908 20 0 GHADLP C[NH+](C)[C@H](C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccccc1 ZINC001463720919 1064569458 /nfs/dbraw/zinc/56/94/58/1064569458.db2.gz BOSBTZFASOPMTM-DEOSSOPVSA-N 2 2 387.527 3.787 20 0 GHADLP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001464130453 1064844504 /nfs/dbraw/zinc/84/45/04/1064844504.db2.gz UWKOJQZPNLRQIW-RTBURBONSA-N 2 2 395.950 3.997 20 0 GHADLP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001464130453 1064844514 /nfs/dbraw/zinc/84/45/14/1064844514.db2.gz UWKOJQZPNLRQIW-RTBURBONSA-N 2 2 395.950 3.997 20 0 GHADLP Cc1oc(-c2cccs2)nc1C[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001200046080 1065067399 /nfs/dbraw/zinc/06/73/99/1065067399.db2.gz HETPILCXJMWWNJ-UHFFFAOYSA-N 2 2 396.560 3.749 20 0 GHADLP CCCC[N@H+](C)CC1CCN(C(=O)c2c[nH+]ccc2Nc2ccccc2)CC1 ZINC001464891118 1065261170 /nfs/dbraw/zinc/26/11/70/1065261170.db2.gz PCLRSKYNLNOAIJ-UHFFFAOYSA-N 2 2 380.536 3.831 20 0 GHADLP CCCC[N@@H+](C)CC1CCN(C(=O)c2c[nH+]ccc2Nc2ccccc2)CC1 ZINC001464891118 1065261181 /nfs/dbraw/zinc/26/11/81/1065261181.db2.gz PCLRSKYNLNOAIJ-UHFFFAOYSA-N 2 2 380.536 3.831 20 0 GHADLP CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC001469130588 1067988849 /nfs/dbraw/zinc/98/88/49/1067988849.db2.gz ZMZNKCJMNVITPJ-JOCHJYFZSA-N 2 2 385.596 3.582 20 0 GHADLP CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC001469130588 1067988851 /nfs/dbraw/zinc/98/88/51/1067988851.db2.gz ZMZNKCJMNVITPJ-JOCHJYFZSA-N 2 2 385.596 3.582 20 0 GHADLP C[C@H]1C[N@H+](Cc2nc3ccc(Br)cc3o2)CCN1c1cc[nH+]cc1 ZINC001460708028 1069107852 /nfs/dbraw/zinc/10/78/52/1069107852.db2.gz JUDQZJLBPQYQSB-ZDUSSCGKSA-N 2 2 387.281 3.696 20 0 GHADLP C[C@H]1C[N@@H+](Cc2nc3ccc(Br)cc3o2)CCN1c1cc[nH+]cc1 ZINC001460708028 1069107862 /nfs/dbraw/zinc/10/78/62/1069107862.db2.gz JUDQZJLBPQYQSB-ZDUSSCGKSA-N 2 2 387.281 3.696 20 0 GHADLP Cc1ccc(-c2csc(C[NH+]3CCC(O)(C[NH+]4CCCCC4)CC3)n2)cc1 ZINC001460946894 1069291681 /nfs/dbraw/zinc/29/16/81/1069291681.db2.gz QLHYQMAEJWSHHW-UHFFFAOYSA-N 2 2 385.577 3.931 20 0 GHADLP CC[C@H]1CCCCC[N@@H+]1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC001473177487 1073834274 /nfs/dbraw/zinc/83/42/74/1073834274.db2.gz HQJRWAZKXZJRQP-SFHVURJKSA-N 2 2 378.586 3.968 20 0 GHADLP CC[C@H]1CCCCC[N@H+]1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC001473177487 1073834282 /nfs/dbraw/zinc/83/42/82/1073834282.db2.gz HQJRWAZKXZJRQP-SFHVURJKSA-N 2 2 378.586 3.968 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@@H+]3CC[C@H](c4ccccn4)C3)CC2)cc1 ZINC001473423215 1073959067 /nfs/dbraw/zinc/95/90/67/1073959067.db2.gz KBTAAISCAPLCOS-IBGZPJMESA-N 2 2 384.955 3.737 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@H+]3CC[C@H](c4ccccn4)C3)CC2)cc1 ZINC001473423215 1073959070 /nfs/dbraw/zinc/95/90/70/1073959070.db2.gz KBTAAISCAPLCOS-IBGZPJMESA-N 2 2 384.955 3.737 20 0 GHADLP C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001473525850 1074001090 /nfs/dbraw/zinc/00/10/90/1074001090.db2.gz ILHDQXDYNBOCBG-MDNUFGMLSA-N 2 2 382.548 3.657 20 0 GHADLP C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001473525850 1074001099 /nfs/dbraw/zinc/00/10/99/1074001099.db2.gz ILHDQXDYNBOCBG-MDNUFGMLSA-N 2 2 382.548 3.657 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001473525850 1074001109 /nfs/dbraw/zinc/00/11/09/1074001109.db2.gz ILHDQXDYNBOCBG-MDNUFGMLSA-N 2 2 382.548 3.657 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001473525850 1074001115 /nfs/dbraw/zinc/00/11/15/1074001115.db2.gz ILHDQXDYNBOCBG-MDNUFGMLSA-N 2 2 382.548 3.657 20 0 GHADLP Clc1cccc(N2CC[NH+](C3CC[NH+](CCCc4cccnc4)CC3)CC2)c1 ZINC001473528813 1074004105 /nfs/dbraw/zinc/00/41/05/1074004105.db2.gz GODJGCUKDXWDNL-UHFFFAOYSA-N 2 2 398.982 3.954 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 ZINC001473728062 1074111948 /nfs/dbraw/zinc/11/19/48/1074111948.db2.gz MTKFLMVCYZURIK-OFNKIYASSA-N 2 2 388.502 3.855 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 ZINC001473728062 1074111951 /nfs/dbraw/zinc/11/19/51/1074111951.db2.gz MTKFLMVCYZURIK-OFNKIYASSA-N 2 2 388.502 3.855 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 ZINC001473728062 1074111955 /nfs/dbraw/zinc/11/19/55/1074111955.db2.gz MTKFLMVCYZURIK-OFNKIYASSA-N 2 2 388.502 3.855 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 ZINC001473728062 1074111959 /nfs/dbraw/zinc/11/19/59/1074111959.db2.gz MTKFLMVCYZURIK-OFNKIYASSA-N 2 2 388.502 3.855 20 0 GHADLP CC(=O)c1ccccc1NC(=O)CCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001473748360 1074121887 /nfs/dbraw/zinc/12/18/87/1074121887.db2.gz XOPYCVDWURZAPY-QFIPXVFZSA-N 2 2 390.487 3.836 20 0 GHADLP CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC001473803103 1074150450 /nfs/dbraw/zinc/15/04/50/1074150450.db2.gz VLCPDPQQVUUZEC-FQEVSTJZSA-N 2 2 398.551 3.872 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCOCC34CCCC4)CC2)cc1 ZINC001473893631 1074193324 /nfs/dbraw/zinc/19/33/24/1074193324.db2.gz SWIFROWJRDFFTD-OAQYLSRUSA-N 2 2 391.987 3.791 20 0 GHADLP C[NH+]1CCN([C@@H](C[NH2+]Cc2c(Cl)cncc2Cl)c2cccs2)CC1 ZINC001473913581 1074201520 /nfs/dbraw/zinc/20/15/20/1074201520.db2.gz HBMHYHKIQKSGMM-INIZCTEOSA-N 2 2 385.364 3.528 20 0 GHADLP Clc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCOC4(CCCC4)C3)CC2)c1 ZINC001473984027 1074226454 /nfs/dbraw/zinc/22/64/54/1074226454.db2.gz NUTSWWRBRYVLNB-HXUWFJFHSA-N 2 2 391.987 3.934 20 0 GHADLP COc1cc2c(c(C[NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)c1)O[C@@H](C)C2 ZINC001474022827 1074239205 /nfs/dbraw/zinc/23/92/05/1074239205.db2.gz HZWVHZKJWVBJND-KRWDZBQOSA-N 2 2 395.547 3.843 20 0 GHADLP CC(C)[NH+](CCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)C(C)C ZINC001474037743 1074244251 /nfs/dbraw/zinc/24/42/51/1074244251.db2.gz GFKZHTVHWUYTEV-UHFFFAOYSA-N 3 2 381.008 3.690 20 0 GHADLP F[C@@H]1CC2(CC[C@@H]1[NH2+][C@@H]1CCCCC[N@H+](Cc3ccccc3)C1)OCCO2 ZINC001474233226 1074302948 /nfs/dbraw/zinc/30/29/48/1074302948.db2.gz TVOBMQNQTMTRRS-NJYVYQBISA-N 2 2 376.516 3.655 20 0 GHADLP F[C@@H]1CC2(CC[C@@H]1[NH2+][C@@H]1CCCCC[N@@H+](Cc3ccccc3)C1)OCCO2 ZINC001474233226 1074302954 /nfs/dbraw/zinc/30/29/54/1074302954.db2.gz TVOBMQNQTMTRRS-NJYVYQBISA-N 2 2 376.516 3.655 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001474741137 1074541333 /nfs/dbraw/zinc/54/13/33/1074541333.db2.gz SFNYURYAKAEZTQ-VAMGGRTRSA-N 2 2 387.568 3.932 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001474741137 1074541337 /nfs/dbraw/zinc/54/13/37/1074541337.db2.gz SFNYURYAKAEZTQ-VAMGGRTRSA-N 2 2 387.568 3.932 20 0 GHADLP CCCC[N@H+](C)CC1CCN(c2nnc(C)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001500401600 1079598701 /nfs/dbraw/zinc/59/87/01/1079598701.db2.gz QEKKNSTUNAYSOX-UHFFFAOYSA-N 2 2 398.599 3.871 20 0 GHADLP CCCC[N@@H+](C)CC1CCN(c2nnc(C)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001500401600 1079598710 /nfs/dbraw/zinc/59/87/10/1079598710.db2.gz QEKKNSTUNAYSOX-UHFFFAOYSA-N 2 2 398.599 3.871 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c2[nH+]ccn21 ZINC000333157021 570731167 /nfs/dbraw/zinc/73/11/67/570731167.db2.gz GOQIUTQYUKGNBA-UYAOXDASSA-N 2 2 393.535 3.587 20 0 GHADLP CCC(CC)(C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000736333531 598887234 /nfs/dbraw/zinc/88/72/34/598887234.db2.gz ANJAUILTBYLOCW-KRWDZBQOSA-N 2 2 378.524 3.866 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824546397 609335455 /nfs/dbraw/zinc/33/54/55/609335455.db2.gz IQPTVTNHROBAQD-CVEARBPZSA-N 2 2 394.498 3.882 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545275 609338188 /nfs/dbraw/zinc/33/81/88/609338188.db2.gz BVPVORLIIMECHJ-GJYPPUQNSA-N 2 2 394.498 3.710 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545275 609338189 /nfs/dbraw/zinc/33/81/89/609338189.db2.gz BVPVORLIIMECHJ-GJYPPUQNSA-N 2 2 394.498 3.710 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]ccc4c(C)cccc43)CC2)CC1 ZINC001164617351 719027440 /nfs/dbraw/zinc/02/74/40/719027440.db2.gz KFWRQEDGIIBGKE-UHFFFAOYSA-N 2 2 381.520 3.787 20 0 GHADLP Cc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(C2CC2)[nH+]1 ZINC001164839781 720718239 /nfs/dbraw/zinc/71/82/39/720718239.db2.gz MWCHTFPDIRHCJM-NRFANRHFSA-N 2 2 392.547 3.922 20 0 GHADLP Cc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(C2CC2)[nH+]1 ZINC001164839781 720718252 /nfs/dbraw/zinc/71/82/52/720718252.db2.gz MWCHTFPDIRHCJM-NRFANRHFSA-N 2 2 392.547 3.922 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)[C@H]2C ZINC001164862992 721019029 /nfs/dbraw/zinc/01/90/29/721019029.db2.gz SFIWOKHEEHKJRA-HNNXBMFYSA-N 2 2 378.524 3.670 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)[C@H]2C ZINC001164862992 721019036 /nfs/dbraw/zinc/01/90/36/721019036.db2.gz SFIWOKHEEHKJRA-HNNXBMFYSA-N 2 2 378.524 3.670 20 0 GHADLP CCCc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(C)[nH+]1 ZINC001165021589 721817896 /nfs/dbraw/zinc/81/78/96/721817896.db2.gz DTEXBTXYZPHIMT-YUXAGFNASA-N 2 2 379.552 3.869 20 0 GHADLP CCCc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(C)[nH+]1 ZINC001165021589 721817900 /nfs/dbraw/zinc/81/79/00/721817900.db2.gz DTEXBTXYZPHIMT-YUXAGFNASA-N 2 2 379.552 3.869 20 0 GHADLP c1ccc2c(c1)cc[nH+]c2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961904 722053028 /nfs/dbraw/zinc/05/30/28/722053028.db2.gz XYZIPOIGRGNUPN-UHFFFAOYSA-N 2 2 388.515 3.749 20 0 GHADLP c1ccc2c(c1)cc[nH+]c2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961904 722053029 /nfs/dbraw/zinc/05/30/29/722053029.db2.gz XYZIPOIGRGNUPN-UHFFFAOYSA-N 2 2 388.515 3.749 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C2CCN(Cc3cccnc3)CC2)c(C)c1 ZINC000414364846 837391261 /nfs/dbraw/zinc/39/12/61/837391261.db2.gz ZDMMEVJNINKLBP-DEOSSOPVSA-N 2 2 389.547 3.890 20 0 GHADLP Clc1ccc(C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccn2)cc1 ZINC000655736182 837776806 /nfs/dbraw/zinc/77/68/06/837776806.db2.gz NPFFTHQLCATHIO-RBBKRZOGSA-N 2 2 385.939 3.862 20 0 GHADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548798018 834551488 /nfs/dbraw/zinc/55/14/88/834551488.db2.gz GZLQJMJUKOETGO-DYESRHJHSA-N 2 2 396.535 3.825 20 0 GHADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548798018 834551495 /nfs/dbraw/zinc/55/14/95/834551495.db2.gz GZLQJMJUKOETGO-DYESRHJHSA-N 2 2 396.535 3.825 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[NH+]2CCCC2)cc1 ZINC000143082682 834778234 /nfs/dbraw/zinc/77/82/34/834778234.db2.gz UKTJTUDDRTXYJD-HSZRJFAPSA-N 2 2 388.515 3.807 20 0 GHADLP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000146022954 834819793 /nfs/dbraw/zinc/81/97/93/834819793.db2.gz HZSWNLXOXHLFDP-UHFFFAOYSA-N 2 2 378.501 3.673 20 0 GHADLP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000471127314 834824046 /nfs/dbraw/zinc/82/40/46/834824046.db2.gz LNBRXTSAXFPNAQ-VLCRHTCISA-N 2 2 397.588 3.584 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000685462501 835028814 /nfs/dbraw/zinc/02/88/14/835028814.db2.gz VEUYVTGJPRXPSL-UHFFFAOYSA-N 2 2 377.414 3.669 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000685462501 835028824 /nfs/dbraw/zinc/02/88/24/835028824.db2.gz VEUYVTGJPRXPSL-UHFFFAOYSA-N 2 2 377.414 3.669 20 0 GHADLP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000658025845 835376408 /nfs/dbraw/zinc/37/64/08/835376408.db2.gz NBAVLLXOKHOAAL-UKRRQHHQSA-N 2 2 378.866 3.726 20 0 GHADLP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000658025845 835376415 /nfs/dbraw/zinc/37/64/15/835376415.db2.gz NBAVLLXOKHOAAL-UKRRQHHQSA-N 2 2 378.866 3.726 20 0 GHADLP C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000584014995 835433798 /nfs/dbraw/zinc/43/37/98/835433798.db2.gz LFRIHFVDHGVILF-MOPGFXCFSA-N 2 2 380.536 3.742 20 0 GHADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cccnc2N2CCCC2)CC1 ZINC000658105919 835436134 /nfs/dbraw/zinc/43/61/34/835436134.db2.gz LVYFGTRJSUJZJP-FQEVSTJZSA-N 2 2 378.564 3.867 20 0 GHADLP CCc1cccc(C)c1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274830766 835669812 /nfs/dbraw/zinc/66/98/12/835669812.db2.gz MFIYLWDNIGXZKH-DENIHFKCSA-N 2 2 379.548 3.996 20 0 GHADLP CCc1cccc(C)c1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274830766 835669816 /nfs/dbraw/zinc/66/98/16/835669816.db2.gz MFIYLWDNIGXZKH-DENIHFKCSA-N 2 2 379.548 3.996 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)s1 ZINC000513006710 844089332 /nfs/dbraw/zinc/08/93/32/844089332.db2.gz BULDDWOQVGFEGU-GOSISDBHSA-N 2 2 399.482 3.715 20 0 GHADLP C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc(OCC[NH+](C)C)cc1 ZINC000274957853 835851720 /nfs/dbraw/zinc/85/17/20/835851720.db2.gz GAAWSGVMHOGVJU-INIZCTEOSA-N 2 2 375.513 3.781 20 0 GHADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278739617 835928149 /nfs/dbraw/zinc/92/81/49/835928149.db2.gz ADGOAXSWGJBHRK-CQSZACIVSA-N 2 2 388.462 3.704 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000547748305 836001310 /nfs/dbraw/zinc/00/13/10/836001310.db2.gz BAHFLFYXZHYBBS-ICSRJNTNSA-N 2 2 386.584 3.730 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000547748305 836001320 /nfs/dbraw/zinc/00/13/20/836001320.db2.gz BAHFLFYXZHYBBS-ICSRJNTNSA-N 2 2 386.584 3.730 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000154870229 836095910 /nfs/dbraw/zinc/09/59/10/836095910.db2.gz FHUQQSJBPNASKI-HNNXBMFYSA-N 2 2 389.565 3.889 20 0 GHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2C)CC1 ZINC000613377530 836236427 /nfs/dbraw/zinc/23/64/27/836236427.db2.gz ISUQYQDNQDAOIC-LJQANCHMSA-N 2 2 397.588 3.710 20 0 GHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2C)CC1 ZINC000613377530 836236435 /nfs/dbraw/zinc/23/64/35/836236435.db2.gz ISUQYQDNQDAOIC-LJQANCHMSA-N 2 2 397.588 3.710 20 0 GHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCc3sccc3[C@H]2C)CC1 ZINC000613377530 836236450 /nfs/dbraw/zinc/23/64/50/836236450.db2.gz ISUQYQDNQDAOIC-LJQANCHMSA-N 2 2 397.588 3.710 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCc3sccc3[C@H]2C)CC1 ZINC000613377530 836236465 /nfs/dbraw/zinc/23/64/65/836236465.db2.gz ISUQYQDNQDAOIC-LJQANCHMSA-N 2 2 397.588 3.710 20 0 GHADLP OCCNc1nc(NCc2ccccc2C[NH+]2CCCCC2)[nH+]c2ccccc21 ZINC000024055039 836288913 /nfs/dbraw/zinc/28/89/13/836288913.db2.gz WXPSLHWSDFRNIR-UHFFFAOYSA-N 2 2 391.519 3.632 20 0 GHADLP Cc1cc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)ccc1Br ZINC000174294518 836417440 /nfs/dbraw/zinc/41/74/40/836417440.db2.gz RENWRAQOVXQNJZ-CQSZACIVSA-N 2 2 382.346 3.547 20 0 GHADLP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000549040427 836650862 /nfs/dbraw/zinc/65/08/62/836650862.db2.gz ZLRGLKJXRNUROZ-UHFFFAOYSA-N 2 2 380.536 3.812 20 0 GHADLP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414294935 836948196 /nfs/dbraw/zinc/94/81/96/836948196.db2.gz CKVHHDCVIIEVND-HXUWFJFHSA-N 3 2 390.531 3.550 20 0 GHADLP CSc1cc(C)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000612961098 837024301 /nfs/dbraw/zinc/02/43/01/837024301.db2.gz WCKHJXWYRSLKFE-ZWKOTPCHSA-N 2 2 393.597 3.719 20 0 GHADLP CSc1cc(C)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000612961098 837024316 /nfs/dbraw/zinc/02/43/16/837024316.db2.gz WCKHJXWYRSLKFE-ZWKOTPCHSA-N 2 2 393.597 3.719 20 0 GHADLP CC[C@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[N@H+](C)Cc1ccccc1 ZINC000685839403 837181853 /nfs/dbraw/zinc/18/18/53/837181853.db2.gz WMELIPBXEJGUEF-JOCHJYFZSA-N 2 2 394.563 3.836 20 0 GHADLP CC[C@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[N@@H+](C)Cc1ccccc1 ZINC000685839403 837181858 /nfs/dbraw/zinc/18/18/58/837181858.db2.gz WMELIPBXEJGUEF-JOCHJYFZSA-N 2 2 394.563 3.836 20 0 GHADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000547831718 837183887 /nfs/dbraw/zinc/18/38/87/837183887.db2.gz XKXAPJXPGSCTJE-UHFFFAOYSA-N 2 2 379.346 3.878 20 0 GHADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000547831718 837183891 /nfs/dbraw/zinc/18/38/91/837183891.db2.gz XKXAPJXPGSCTJE-UHFFFAOYSA-N 2 2 379.346 3.878 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3ccc(-c4cnn(C)c4)s3)CC2)nc(C(C)C)[nH+]1 ZINC000549785022 844274454 /nfs/dbraw/zinc/27/44/54/844274454.db2.gz LFMZRRQQXUIEDP-UHFFFAOYSA-N 2 2 396.564 3.693 20 0 GHADLP CCO[C@H](C)c1nc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000177490621 837989140 /nfs/dbraw/zinc/98/91/40/837989140.db2.gz WUVSKTMQMRSAAR-FGTMMUONSA-N 2 2 395.613 3.952 20 0 GHADLP CCO[C@H](C)c1nc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000177490621 837989142 /nfs/dbraw/zinc/98/91/42/837989142.db2.gz WUVSKTMQMRSAAR-FGTMMUONSA-N 2 2 395.613 3.952 20 0 GHADLP CCC(CC)[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[NH+]1CCOCC1 ZINC000460725871 838009102 /nfs/dbraw/zinc/00/91/02/838009102.db2.gz QVYJYGOLUDEWEK-QFIPXVFZSA-N 2 2 387.568 3.748 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849350 838048339 /nfs/dbraw/zinc/04/83/39/838048339.db2.gz OALGZMIHZJYHNK-LSTHTHJFSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849350 838048354 /nfs/dbraw/zinc/04/83/54/838048354.db2.gz OALGZMIHZJYHNK-LSTHTHJFSA-N 2 2 377.960 3.684 20 0 GHADLP [NH3+]C[C@H]1CCCc2ccc(C(=O)Nc3ccccc3OCCn3cc[nH+]c3)cc21 ZINC000659288579 838221634 /nfs/dbraw/zinc/22/16/34/838221634.db2.gz KCFZNCCHTVBERS-LJQANCHMSA-N 2 2 390.487 3.593 20 0 GHADLP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000415913186 838270037 /nfs/dbraw/zinc/27/00/37/838270037.db2.gz AJUKQTLOVLTTHB-UHFFFAOYSA-N 2 2 386.927 3.629 20 0 GHADLP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000415913186 838270044 /nfs/dbraw/zinc/27/00/44/838270044.db2.gz AJUKQTLOVLTTHB-UHFFFAOYSA-N 2 2 386.927 3.629 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)C1 ZINC000683707154 838364188 /nfs/dbraw/zinc/36/41/88/838364188.db2.gz WVPQTRGOIZSGRW-SVFBPWRDSA-N 2 2 392.632 3.649 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)C1 ZINC000683707154 838364191 /nfs/dbraw/zinc/36/41/91/838364191.db2.gz WVPQTRGOIZSGRW-SVFBPWRDSA-N 2 2 392.632 3.649 20 0 GHADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cc1 ZINC000548011159 838460636 /nfs/dbraw/zinc/46/06/36/838460636.db2.gz YCBBUKKFQIBSCY-NVXWUHKLSA-N 2 2 384.549 3.758 20 0 GHADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cc1 ZINC000548011159 838460643 /nfs/dbraw/zinc/46/06/43/838460643.db2.gz YCBBUKKFQIBSCY-NVXWUHKLSA-N 2 2 384.549 3.758 20 0 GHADLP CC(=O)[C@H](C)CCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124530423 839090119 /nfs/dbraw/zinc/09/01/19/839090119.db2.gz HPGOMVZJJUTJGJ-BVYCBKJFSA-N 2 2 393.616 3.568 20 0 GHADLP CC(=O)[C@H](C)CCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124530423 839090124 /nfs/dbraw/zinc/09/01/24/839090124.db2.gz HPGOMVZJJUTJGJ-BVYCBKJFSA-N 2 2 393.616 3.568 20 0 GHADLP Brc1cccc(-c2c[nH]c(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000415057404 839139082 /nfs/dbraw/zinc/13/90/82/839139082.db2.gz UCQYYKLEJRNHQD-MAUKXSAKSA-N 2 2 389.341 3.803 20 0 GHADLP Brc1cccc(-c2c[nH]c(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000415057404 839139093 /nfs/dbraw/zinc/13/90/93/839139093.db2.gz UCQYYKLEJRNHQD-MAUKXSAKSA-N 2 2 389.341 3.803 20 0 GHADLP COc1cccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1Cl ZINC000659992036 839165023 /nfs/dbraw/zinc/16/50/23/839165023.db2.gz FPAGSSBYMCODSU-UHFFFAOYSA-N 3 2 394.003 3.977 20 0 GHADLP COc1cccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1Cl ZINC000659992036 839165032 /nfs/dbraw/zinc/16/50/32/839165032.db2.gz FPAGSSBYMCODSU-UHFFFAOYSA-N 3 2 394.003 3.977 20 0 GHADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000660003457 839243968 /nfs/dbraw/zinc/24/39/68/839243968.db2.gz KCEARQLJEWGRDT-INIZCTEOSA-N 2 2 389.367 3.676 20 0 GHADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000660003457 839243978 /nfs/dbraw/zinc/24/39/78/839243978.db2.gz KCEARQLJEWGRDT-INIZCTEOSA-N 2 2 389.367 3.676 20 0 GHADLP [NH3+]CCC[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccccc1 ZINC000415156967 839297406 /nfs/dbraw/zinc/29/74/06/839297406.db2.gz NEWIKFZSSOXVKR-LJQANCHMSA-N 2 2 393.491 3.564 20 0 GHADLP C[NH+](CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)Cc1ccco1 ZINC000796675003 839324452 /nfs/dbraw/zinc/32/44/52/839324452.db2.gz ZKZPWIHJODQLGB-SFHVURJKSA-N 2 2 379.545 3.680 20 0 GHADLP C[NH+](CCC[N@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)Cc1ccco1 ZINC000796675003 839324466 /nfs/dbraw/zinc/32/44/66/839324466.db2.gz ZKZPWIHJODQLGB-SFHVURJKSA-N 2 2 379.545 3.680 20 0 GHADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000796675003 839324479 /nfs/dbraw/zinc/32/44/79/839324479.db2.gz ZKZPWIHJODQLGB-SFHVURJKSA-N 2 2 379.545 3.680 20 0 GHADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000796675003 839324492 /nfs/dbraw/zinc/32/44/92/839324492.db2.gz ZKZPWIHJODQLGB-SFHVURJKSA-N 2 2 379.545 3.680 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(N[C@H](c3ncc[nH]3)c3ccccc3)[nH+]c2)CC1 ZINC000275852999 839346967 /nfs/dbraw/zinc/34/69/67/839346967.db2.gz LJXPTSWAFDNNPD-NRFANRHFSA-N 2 2 376.508 3.537 20 0 GHADLP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)c2ccccc21 ZINC000549236459 839435720 /nfs/dbraw/zinc/43/57/20/839435720.db2.gz AQTQGFXZQHVCGP-SFTDATJTSA-N 2 2 388.552 3.647 20 0 GHADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377397211 839436831 /nfs/dbraw/zinc/43/68/31/839436831.db2.gz FTTOMPLTAXEORT-KRWDZBQOSA-N 2 2 379.508 3.684 20 0 GHADLP C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278815261 839576036 /nfs/dbraw/zinc/57/60/36/839576036.db2.gz GZXLKTXCFGLBIM-KRWDZBQOSA-N 2 2 376.508 3.741 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1O ZINC000580488625 839663635 /nfs/dbraw/zinc/66/36/35/839663635.db2.gz YSDYDTQOHAXNJI-LJQANCHMSA-N 2 2 383.536 3.572 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000893019024 839947455 /nfs/dbraw/zinc/94/74/55/839947455.db2.gz IRGDBTNUDBRPGE-CJNGLKHVSA-N 2 2 379.551 3.554 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000893019024 839947459 /nfs/dbraw/zinc/94/74/59/839947459.db2.gz IRGDBTNUDBRPGE-CJNGLKHVSA-N 2 2 379.551 3.554 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418494511 840319115 /nfs/dbraw/zinc/31/91/15/840319115.db2.gz SHLPYPAZKVOVJJ-GOSISDBHSA-N 2 2 395.551 3.549 20 0 GHADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000580980105 840555975 /nfs/dbraw/zinc/55/59/75/840555975.db2.gz WETRQUPBENHTPH-HIFRSBDPSA-N 2 2 389.284 3.967 20 0 GHADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000580980105 840555985 /nfs/dbraw/zinc/55/59/85/840555985.db2.gz WETRQUPBENHTPH-HIFRSBDPSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000580980105 840555997 /nfs/dbraw/zinc/55/59/97/840555997.db2.gz WETRQUPBENHTPH-HIFRSBDPSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000580980105 840556007 /nfs/dbraw/zinc/55/60/07/840556007.db2.gz WETRQUPBENHTPH-HIFRSBDPSA-N 2 2 389.284 3.967 20 0 GHADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000581006073 840585439 /nfs/dbraw/zinc/58/54/39/840585439.db2.gz YFFVTSDGKJPDGU-DGCLKSJQSA-N 2 2 389.853 3.802 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000511741907 840600655 /nfs/dbraw/zinc/60/06/55/840600655.db2.gz XQGFTPFSRZFRFJ-GOSISDBHSA-N 2 2 375.520 3.797 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC[C@H](COc4ccccc4)C3)C2)cc1 ZINC000584795686 840900332 /nfs/dbraw/zinc/90/03/32/840900332.db2.gz USHLWUAZBARLMB-UPVQGACJSA-N 2 2 380.532 3.678 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC[C@H](COc4ccccc4)C3)C2)cc1 ZINC000584795686 840900349 /nfs/dbraw/zinc/90/03/49/840900349.db2.gz USHLWUAZBARLMB-UPVQGACJSA-N 2 2 380.532 3.678 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC[C@H](COc4ccccc4)C3)C2)cc1 ZINC000584795686 840900361 /nfs/dbraw/zinc/90/03/61/840900361.db2.gz USHLWUAZBARLMB-UPVQGACJSA-N 2 2 380.532 3.678 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC[C@H](COc4ccccc4)C3)C2)cc1 ZINC000584795686 840900369 /nfs/dbraw/zinc/90/03/69/840900369.db2.gz USHLWUAZBARLMB-UPVQGACJSA-N 2 2 380.532 3.678 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3csc(CCc4ccccc4)n3)C2)CC1 ZINC000364135229 840931918 /nfs/dbraw/zinc/93/19/18/840931918.db2.gz VERQCYSRVGUFBS-QFIPXVFZSA-N 2 2 398.620 3.529 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc(CCc4ccccc4)n3)C2)CC1 ZINC000364135229 840931925 /nfs/dbraw/zinc/93/19/25/840931925.db2.gz VERQCYSRVGUFBS-QFIPXVFZSA-N 2 2 398.620 3.529 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3ccc(C)nc3C)CC2)cc1 ZINC000651437285 840984706 /nfs/dbraw/zinc/98/47/06/840984706.db2.gz QKGNLACOMTZPNA-SFHVURJKSA-N 2 2 380.536 3.972 20 0 GHADLP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246423183 841080479 /nfs/dbraw/zinc/08/04/79/841080479.db2.gz SFJWAGSNDJQZMB-IXDOHACOSA-N 2 2 378.561 3.639 20 0 GHADLP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246423183 841080483 /nfs/dbraw/zinc/08/04/83/841080483.db2.gz SFJWAGSNDJQZMB-IXDOHACOSA-N 2 2 378.561 3.639 20 0 GHADLP Cc1ccc(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(N(C)C)[nH+]1 ZINC000162489001 841212915 /nfs/dbraw/zinc/21/29/15/841212915.db2.gz LDFRKTADKNCYDL-UHFFFAOYSA-N 2 2 395.551 3.832 20 0 GHADLP Cc1ccc(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(N(C)C)[nH+]1 ZINC000162489001 841212925 /nfs/dbraw/zinc/21/29/25/841212925.db2.gz LDFRKTADKNCYDL-UHFFFAOYSA-N 2 2 395.551 3.832 20 0 GHADLP CCCN(CCC[NH+](C)C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000276172459 841282744 /nfs/dbraw/zinc/28/27/44/841282744.db2.gz JHZARZVXCCTZGB-UHFFFAOYSA-N 2 2 381.524 3.797 20 0 GHADLP C[C@]1(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CCCC[NH2+]1 ZINC000510427962 841449892 /nfs/dbraw/zinc/44/98/92/841449892.db2.gz SMPDYAZCKAZYBV-XMMPIXPASA-N 2 2 388.515 3.747 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045768376 841778911 /nfs/dbraw/zinc/77/89/11/841778911.db2.gz HQDWNWUCKISJAT-UHFFFAOYSA-N 2 2 378.476 3.845 20 0 GHADLP O=C1CCCN1c1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000155282629 842120293 /nfs/dbraw/zinc/12/02/93/842120293.db2.gz MBEIORJNUFATDV-UHFFFAOYSA-N 2 2 395.522 3.749 20 0 GHADLP CN(C(=O)c1ccccc1OC1CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000581749209 842144227 /nfs/dbraw/zinc/14/42/27/842144227.db2.gz JZSVIYKXTULLRR-VXKWHMMOSA-N 2 2 399.579 3.637 20 0 GHADLP CN(C(=O)c1ccccc1OC1CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000581749209 842144230 /nfs/dbraw/zinc/14/42/30/842144230.db2.gz JZSVIYKXTULLRR-VXKWHMMOSA-N 2 2 399.579 3.637 20 0 GHADLP Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)sc1Br ZINC000512032579 842214532 /nfs/dbraw/zinc/21/45/32/842214532.db2.gz VMMRLWMVSIJRAK-ZIAGYGMSSA-N 2 2 375.376 3.562 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351564 842347163 /nfs/dbraw/zinc/34/71/63/842347163.db2.gz GMHZTLAHAKSTRS-BSRJHKFKSA-N 2 2 379.504 3.867 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351564 842347177 /nfs/dbraw/zinc/34/71/77/842347177.db2.gz GMHZTLAHAKSTRS-BSRJHKFKSA-N 2 2 379.504 3.867 20 0 GHADLP COc1cc2cc[nH+]c(N3CC[NH+]([C@@H](C)c4cccnc4)CC3)c2cc1OC ZINC000663612626 842347775 /nfs/dbraw/zinc/34/77/75/842347775.db2.gz YYNMKCLAYXHEHQ-INIZCTEOSA-N 2 2 378.476 3.530 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000618174368 842408945 /nfs/dbraw/zinc/40/89/45/842408945.db2.gz YGHXRPCYZZSFMV-QGZVFWFLSA-N 2 2 376.932 3.858 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000510540897 842930673 /nfs/dbraw/zinc/93/06/73/842930673.db2.gz XFATXVBJFPIRNZ-QFIPXVFZSA-N 2 2 379.548 3.708 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000510540897 842930680 /nfs/dbraw/zinc/93/06/80/842930680.db2.gz XFATXVBJFPIRNZ-QFIPXVFZSA-N 2 2 379.548 3.708 20 0 GHADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000510540897 842930684 /nfs/dbraw/zinc/93/06/84/842930684.db2.gz XFATXVBJFPIRNZ-QFIPXVFZSA-N 2 2 379.548 3.708 20 0 GHADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000510540897 842930687 /nfs/dbraw/zinc/93/06/87/842930687.db2.gz XFATXVBJFPIRNZ-QFIPXVFZSA-N 2 2 379.548 3.708 20 0 GHADLP FC1(c2cccnc2)CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000510592917 843002472 /nfs/dbraw/zinc/00/24/72/843002472.db2.gz SHRSTXOGQWEOEI-UHFFFAOYSA-N 2 2 382.527 3.555 20 0 GHADLP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290978 843081151 /nfs/dbraw/zinc/08/11/51/843081151.db2.gz AROAUHOUSKXVAC-YJBOKZPZSA-N 2 2 397.519 3.674 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1)C1CC1 ZINC000512233906 843168232 /nfs/dbraw/zinc/16/82/32/843168232.db2.gz JIUAHOVCATUOIL-UHFFFAOYSA-N 2 2 392.547 3.986 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1)C1CC1 ZINC000512233906 843168238 /nfs/dbraw/zinc/16/82/38/843168238.db2.gz JIUAHOVCATUOIL-UHFFFAOYSA-N 2 2 392.547 3.986 20 0 GHADLP O=C(C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)N(C1CC1)C1CCCC1 ZINC000512253976 843232541 /nfs/dbraw/zinc/23/25/41/843232541.db2.gz SJJAZKXLJDQHFT-DEOSSOPVSA-N 2 2 381.564 3.518 20 0 GHADLP O=C(C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)N(C1CC1)C1CCCC1 ZINC000512253976 843232551 /nfs/dbraw/zinc/23/25/51/843232551.db2.gz SJJAZKXLJDQHFT-DEOSSOPVSA-N 2 2 381.564 3.518 20 0 GHADLP O=C(C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N(C1CC1)C1CCCC1 ZINC000512253976 843232559 /nfs/dbraw/zinc/23/25/59/843232559.db2.gz SJJAZKXLJDQHFT-DEOSSOPVSA-N 2 2 381.564 3.518 20 0 GHADLP O=C(C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N(C1CC1)C1CCCC1 ZINC000512253976 843232569 /nfs/dbraw/zinc/23/25/69/843232569.db2.gz SJJAZKXLJDQHFT-DEOSSOPVSA-N 2 2 381.564 3.518 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc2ccccc2s1 ZINC000430955227 843261335 /nfs/dbraw/zinc/26/13/35/843261335.db2.gz LKZQNZBECDTIJU-UHFFFAOYSA-N 3 2 386.609 3.924 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc2ccccc2s1 ZINC000430955227 843261346 /nfs/dbraw/zinc/26/13/46/843261346.db2.gz LKZQNZBECDTIJU-UHFFFAOYSA-N 3 2 386.609 3.924 20 0 GHADLP Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512287660 843331600 /nfs/dbraw/zinc/33/16/00/843331600.db2.gz UWFLJWAYYRTOLD-BWKNWUBXSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512287660 843331606 /nfs/dbraw/zinc/33/16/06/843331606.db2.gz UWFLJWAYYRTOLD-BWKNWUBXSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512287660 843331617 /nfs/dbraw/zinc/33/16/17/843331617.db2.gz UWFLJWAYYRTOLD-BWKNWUBXSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512287660 843331625 /nfs/dbraw/zinc/33/16/25/843331625.db2.gz UWFLJWAYYRTOLD-BWKNWUBXSA-N 2 2 391.559 3.598 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCOc2ccccc2Br)C1 ZINC000091704854 843337207 /nfs/dbraw/zinc/33/72/07/843337207.db2.gz LWIDHTBTDUSULQ-OAHLLOKOSA-N 2 2 378.314 3.516 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCOc2ccccc2Br)C1 ZINC000091704854 843337218 /nfs/dbraw/zinc/33/72/18/843337218.db2.gz LWIDHTBTDUSULQ-OAHLLOKOSA-N 2 2 378.314 3.516 20 0 GHADLP COCCOc1ccc(C[NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000500462511 843495323 /nfs/dbraw/zinc/49/53/23/843495323.db2.gz QIZFPPPKOZJRRB-XMMPIXPASA-N 2 2 382.548 3.884 20 0 GHADLP COCCOc1ccc(C[NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000500462511 843495332 /nfs/dbraw/zinc/49/53/32/843495332.db2.gz QIZFPPPKOZJRRB-XMMPIXPASA-N 2 2 382.548 3.884 20 0 GHADLP Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+][C@H]3CCn4cc[nH+]c4C3)n2c1 ZINC000893706959 843547502 /nfs/dbraw/zinc/54/75/02/843547502.db2.gz NFGPTDYQQSTACH-SFHVURJKSA-N 2 2 375.451 3.750 20 0 GHADLP Brc1ccc(Br)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000893707737 843600742 /nfs/dbraw/zinc/60/07/42/843600742.db2.gz XKNSLZPGJNGAQH-LBPRGKRZSA-N 2 2 385.103 3.513 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc3-n3ccnc32)[C@H](C)C1 ZINC000663470420 843680365 /nfs/dbraw/zinc/68/03/65/843680365.db2.gz IBYZCJPLWRKTIR-GIVPXCGWSA-N 2 2 382.552 3.586 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc3-n3ccnc32)[C@H](C)C1 ZINC000663470420 843680370 /nfs/dbraw/zinc/68/03/70/843680370.db2.gz IBYZCJPLWRKTIR-GIVPXCGWSA-N 2 2 382.552 3.586 20 0 GHADLP CC(C)c1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(O)c(=O)c1 ZINC000663834455 843827226 /nfs/dbraw/zinc/82/72/26/843827226.db2.gz USADKYLREQVMGM-IBGZPJMESA-N 2 2 381.520 3.788 20 0 GHADLP CC(C)c1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(O)c(=O)c1 ZINC000663834455 843827235 /nfs/dbraw/zinc/82/72/35/843827235.db2.gz USADKYLREQVMGM-IBGZPJMESA-N 2 2 381.520 3.788 20 0 GHADLP CN(C(=O)[C@@H]1CCCc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850620 844811792 /nfs/dbraw/zinc/81/17/92/844811792.db2.gz IQRKGZSBLHKBOE-WXFUMESZSA-N 2 2 397.607 3.902 20 0 GHADLP CN(C(=O)[C@@H]1CCCc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850620 844811796 /nfs/dbraw/zinc/81/17/96/844811796.db2.gz IQRKGZSBLHKBOE-WXFUMESZSA-N 2 2 397.607 3.902 20 0 GHADLP Cn1c2ccccc2[nH+]c1NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000179290297 861521766 /nfs/dbraw/zinc/52/17/66/861521766.db2.gz RDJPCOXFUKVTSM-UHFFFAOYSA-N 2 2 394.519 3.675 20 0 GHADLP Cn1c2ccccc2[nH+]c1NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000179290297 861521775 /nfs/dbraw/zinc/52/17/75/861521775.db2.gz RDJPCOXFUKVTSM-UHFFFAOYSA-N 2 2 394.519 3.675 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@H]([NH3+])c3ccc(C(C)C)cc3)cn2c1 ZINC000236769487 845204782 /nfs/dbraw/zinc/20/47/82/845204782.db2.gz DVINIJABPACSQS-FQEVSTJZSA-N 2 2 396.560 3.816 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C/C=C\c2ccccc2OC)[C@@H]1c1cnn(C)c1 ZINC000434010415 845723444 /nfs/dbraw/zinc/72/34/44/845723444.db2.gz DHKDAJRDYATVIC-JGAQAGSRSA-N 2 2 382.552 3.847 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C/C=C\c2ccccc2OC)[C@@H]1c1cnn(C)c1 ZINC000434010415 845723447 /nfs/dbraw/zinc/72/34/47/845723447.db2.gz DHKDAJRDYATVIC-JGAQAGSRSA-N 2 2 382.552 3.847 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C/C=C\c2ccccc2OC)[C@@H]1c1cnn(C)c1 ZINC000434010415 845723449 /nfs/dbraw/zinc/72/34/49/845723449.db2.gz DHKDAJRDYATVIC-JGAQAGSRSA-N 2 2 382.552 3.847 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C/C=C\c2ccccc2OC)[C@@H]1c1cnn(C)c1 ZINC000434010415 845723453 /nfs/dbraw/zinc/72/34/53/845723453.db2.gz DHKDAJRDYATVIC-JGAQAGSRSA-N 2 2 382.552 3.847 20 0 GHADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000431327697 845950519 /nfs/dbraw/zinc/95/05/19/845950519.db2.gz SNHZKWARTIGSMG-LEWJYISDSA-N 2 2 387.568 3.556 20 0 GHADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000431327697 845950522 /nfs/dbraw/zinc/95/05/22/845950522.db2.gz SNHZKWARTIGSMG-LEWJYISDSA-N 2 2 387.568 3.556 20 0 GHADLP C[N@@H+]1CCO[C@H]([C@H](NC2CC[NH+](C3CCCC3)CC2)c2ccc(Cl)cc2)C1 ZINC000179556303 861631616 /nfs/dbraw/zinc/63/16/16/861631616.db2.gz YQKLPSAGHVLBBP-FCHUYYIVSA-N 2 2 391.987 3.708 20 0 GHADLP C[N@H+]1CCO[C@H]([C@H](NC2CC[NH+](C3CCCC3)CC2)c2ccc(Cl)cc2)C1 ZINC000179556303 861631620 /nfs/dbraw/zinc/63/16/20/861631620.db2.gz YQKLPSAGHVLBBP-FCHUYYIVSA-N 2 2 391.987 3.708 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000421380416 846190596 /nfs/dbraw/zinc/19/05/96/846190596.db2.gz JMZGBROJGWYFSQ-CVEARBPZSA-N 2 2 393.597 3.709 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000421380416 846190599 /nfs/dbraw/zinc/19/05/99/846190599.db2.gz JMZGBROJGWYFSQ-CVEARBPZSA-N 2 2 393.597 3.709 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000421380416 846190603 /nfs/dbraw/zinc/19/06/03/846190603.db2.gz JMZGBROJGWYFSQ-CVEARBPZSA-N 2 2 393.597 3.709 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000421380416 846190607 /nfs/dbraw/zinc/19/06/07/846190607.db2.gz JMZGBROJGWYFSQ-CVEARBPZSA-N 2 2 393.597 3.709 20 0 GHADLP Cc1ccc(-c2ncc(C[NH+]3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)s2)cc1 ZINC000513678118 846224870 /nfs/dbraw/zinc/22/48/70/846224870.db2.gz IETMHROAVAMIJJ-FQEVSTJZSA-N 2 2 384.593 3.720 20 0 GHADLP Cc1ccc(-c2ncc(C[NH+]3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)s2)cc1 ZINC000513678118 846224879 /nfs/dbraw/zinc/22/48/79/846224879.db2.gz IETMHROAVAMIJJ-FQEVSTJZSA-N 2 2 384.593 3.720 20 0 GHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc(F)c3OC(F)F)c2)CCO1 ZINC000657330172 846272243 /nfs/dbraw/zinc/27/22/43/846272243.db2.gz ROAXUAIVCTUVAE-HNNXBMFYSA-N 2 2 394.437 3.938 20 0 GHADLP OCC1([C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c2ccccc2)CCOCC1 ZINC000414545245 846472473 /nfs/dbraw/zinc/47/24/73/846472473.db2.gz WAVVCJODYINBBS-HXUWFJFHSA-N 2 2 383.517 3.554 20 0 GHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000501109639 846650900 /nfs/dbraw/zinc/65/09/00/846650900.db2.gz JFZSJKIPNVESKZ-ROUUACIJSA-N 2 2 386.971 3.879 20 0 GHADLP CCc1c2ccccc2oc1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422014065 846753438 /nfs/dbraw/zinc/75/34/38/846753438.db2.gz FVFNDSTXIIKWIS-UHFFFAOYSA-N 2 2 383.536 3.627 20 0 GHADLP CCc1c2ccccc2oc1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422014065 846753440 /nfs/dbraw/zinc/75/34/40/846753440.db2.gz FVFNDSTXIIKWIS-UHFFFAOYSA-N 2 2 383.536 3.627 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)CC1 ZINC000422026187 846756637 /nfs/dbraw/zinc/75/66/37/846756637.db2.gz UJLCAPHDNLLWRT-BAGYTPMASA-N 2 2 375.601 3.612 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)CC1 ZINC000422026187 846756641 /nfs/dbraw/zinc/75/66/41/846756641.db2.gz UJLCAPHDNLLWRT-BAGYTPMASA-N 2 2 375.601 3.612 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)NCC2(c3ccccc3)CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000503086719 846791820 /nfs/dbraw/zinc/79/18/20/846791820.db2.gz LUGYNZICWWSROR-UNMCSNQZSA-N 2 2 394.563 3.784 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)NCC2(c3ccccc3)CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000503086719 846791831 /nfs/dbraw/zinc/79/18/31/846791831.db2.gz LUGYNZICWWSROR-UNMCSNQZSA-N 2 2 394.563 3.784 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)c3cc(C)sc3C)CC2)CC1 ZINC000422143270 846847769 /nfs/dbraw/zinc/84/77/69/846847769.db2.gz GMVOQZCURNNVFO-KRWDZBQOSA-N 2 2 392.613 3.628 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)c3cc(C)sc3C)CC2)CC1 ZINC000422143270 846847773 /nfs/dbraw/zinc/84/77/73/846847773.db2.gz GMVOQZCURNNVFO-KRWDZBQOSA-N 2 2 392.613 3.628 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@H](c4ccccc4)C3(C)C)CC2)CC1 ZINC000422149933 846854533 /nfs/dbraw/zinc/85/45/33/846854533.db2.gz BJEGLMCRRHZEAR-JOCHJYFZSA-N 2 2 398.595 3.523 20 0 GHADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000501375974 846879120 /nfs/dbraw/zinc/87/91/20/846879120.db2.gz DDXQMZBYSYYVQN-NFBKMPQASA-N 2 2 395.547 3.609 20 0 GHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1nc2ccccc2n1C ZINC000272268064 847033533 /nfs/dbraw/zinc/03/35/33/847033533.db2.gz MYBWDABKSDSSSB-MRXNPFEDSA-N 2 2 378.524 3.672 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(Cl)c(Cl)c1 ZINC000647899321 847078429 /nfs/dbraw/zinc/07/84/29/847078429.db2.gz GLCSWABLHOGUGW-YEWWUXTCSA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(Cl)c(Cl)c1 ZINC000647899321 847078432 /nfs/dbraw/zinc/07/84/32/847078432.db2.gz GLCSWABLHOGUGW-YEWWUXTCSA-N 2 2 384.351 3.635 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c2cccs2)cc1 ZINC000420413047 847162621 /nfs/dbraw/zinc/16/26/21/847162621.db2.gz ZLCVAEXKXRODEA-QTEQDKRBSA-N 2 2 397.588 3.726 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c2cccs2)cc1 ZINC000420413047 847162640 /nfs/dbraw/zinc/16/26/40/847162640.db2.gz ZLCVAEXKXRODEA-QTEQDKRBSA-N 2 2 397.588 3.726 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)N1c2ccccc2CCc2ccccc21 ZINC000420412413 847174792 /nfs/dbraw/zinc/17/47/92/847174792.db2.gz ZBLCSPYAPGXLLV-VXKWHMMOSA-N 2 2 389.543 3.914 20 0 GHADLP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)N1c2ccccc2CCc2ccccc21 ZINC000420412413 847174799 /nfs/dbraw/zinc/17/47/99/847174799.db2.gz ZBLCSPYAPGXLLV-VXKWHMMOSA-N 2 2 389.543 3.914 20 0 GHADLP CC(C)[NH2+]C1CCN(Cc2ccc(C[NH+]3CCC([NH2+]C(C)C)CC3)cc2)CC1 ZINC000111173628 847203605 /nfs/dbraw/zinc/20/36/05/847203605.db2.gz AKJHUFVDBPTEFN-UHFFFAOYSA-N 3 2 386.628 3.611 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000563373528 847398013 /nfs/dbraw/zinc/39/80/13/847398013.db2.gz IMSAPSKPIVXTFO-RDTXWAMCSA-N 2 2 396.457 3.806 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000563373528 847398020 /nfs/dbraw/zinc/39/80/20/847398020.db2.gz IMSAPSKPIVXTFO-RDTXWAMCSA-N 2 2 396.457 3.806 20 0 GHADLP CC[N@H+](CC(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1)Cc1ccccc1Cl ZINC000502090936 847460155 /nfs/dbraw/zinc/46/01/55/847460155.db2.gz TVLCKZSJCVLXEQ-SFHVURJKSA-N 2 2 379.976 3.646 20 0 GHADLP CC[N@@H+](CC(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1)Cc1ccccc1Cl ZINC000502090936 847460159 /nfs/dbraw/zinc/46/01/59/847460159.db2.gz TVLCKZSJCVLXEQ-SFHVURJKSA-N 2 2 379.976 3.646 20 0 GHADLP CC[NH+](CC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)Cc1ccccc1Cl ZINC000502090936 847460163 /nfs/dbraw/zinc/46/01/63/847460163.db2.gz TVLCKZSJCVLXEQ-SFHVURJKSA-N 2 2 379.976 3.646 20 0 GHADLP CC[NH+](CC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)Cc1ccccc1Cl ZINC000502090936 847460168 /nfs/dbraw/zinc/46/01/68/847460168.db2.gz TVLCKZSJCVLXEQ-SFHVURJKSA-N 2 2 379.976 3.646 20 0 GHADLP Cc1cc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000420848403 847486109 /nfs/dbraw/zinc/48/61/09/847486109.db2.gz MAPABWPUACRNPH-GOTSBHOMSA-N 2 2 392.547 3.895 20 0 GHADLP Cc1cc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000420848403 847486114 /nfs/dbraw/zinc/48/61/14/847486114.db2.gz MAPABWPUACRNPH-GOTSBHOMSA-N 2 2 392.547 3.895 20 0 GHADLP CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420932923 847552189 /nfs/dbraw/zinc/55/21/89/847552189.db2.gz IFLQWNGSSAZXKZ-UHFFFAOYSA-N 2 2 395.547 3.596 20 0 GHADLP CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420932923 847552194 /nfs/dbraw/zinc/55/21/94/847552194.db2.gz IFLQWNGSSAZXKZ-UHFFFAOYSA-N 2 2 395.547 3.596 20 0 GHADLP c1ccc([C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)[C@@H]3CCOC[C@@H]23)cc1 ZINC000420959589 847580647 /nfs/dbraw/zinc/58/06/47/847580647.db2.gz GRYIAKGQJNMYRM-CCDWMCETSA-N 2 2 392.543 3.523 20 0 GHADLP c1ccc([C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)[C@@H]3CCOC[C@@H]23)cc1 ZINC000420959589 847580658 /nfs/dbraw/zinc/58/06/58/847580658.db2.gz GRYIAKGQJNMYRM-CCDWMCETSA-N 2 2 392.543 3.523 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000421032514 847632645 /nfs/dbraw/zinc/63/26/45/847632645.db2.gz HJMCFHIJHZLQAG-UHFFFAOYSA-N 2 2 382.911 3.503 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000421032514 847632651 /nfs/dbraw/zinc/63/26/51/847632651.db2.gz HJMCFHIJHZLQAG-UHFFFAOYSA-N 2 2 382.911 3.503 20 0 GHADLP CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503364482 847642967 /nfs/dbraw/zinc/64/29/67/847642967.db2.gz DEJZGEUSTKKYGE-PZJWPPBQSA-N 2 2 397.563 3.962 20 0 GHADLP CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503364482 847642972 /nfs/dbraw/zinc/64/29/72/847642972.db2.gz DEJZGEUSTKKYGE-PZJWPPBQSA-N 2 2 397.563 3.962 20 0 GHADLP FC(F)(F)C(F)(F)COCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503408769 847673427 /nfs/dbraw/zinc/67/34/27/847673427.db2.gz UMIITDIDDIMICP-ZDUSSCGKSA-N 2 2 381.389 3.613 20 0 GHADLP FC(F)(F)C(F)(F)COCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503408769 847673432 /nfs/dbraw/zinc/67/34/32/847673432.db2.gz UMIITDIDDIMICP-ZDUSSCGKSA-N 2 2 381.389 3.613 20 0 GHADLP O=C1[C@H]([N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCN1c1ccc(Cl)cc1 ZINC000503409978 847674140 /nfs/dbraw/zinc/67/41/40/847674140.db2.gz YECXODANSPWLOO-OXQOHEQNSA-N 2 2 398.938 3.858 20 0 GHADLP O=C1[C@H]([N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCN1c1ccc(Cl)cc1 ZINC000503409978 847674144 /nfs/dbraw/zinc/67/41/44/847674144.db2.gz YECXODANSPWLOO-OXQOHEQNSA-N 2 2 398.938 3.858 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3csc4ccccc34)CC2)CC1 ZINC000421092474 847711551 /nfs/dbraw/zinc/71/15/51/847711551.db2.gz QPGJCZDEDKKBCR-UHFFFAOYSA-N 2 2 386.565 3.925 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3csc4ccccc34)CC2)CC1 ZINC000421092474 847711558 /nfs/dbraw/zinc/71/15/58/847711558.db2.gz QPGJCZDEDKKBCR-UHFFFAOYSA-N 2 2 386.565 3.925 20 0 GHADLP COCc1csc(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1 ZINC000657482130 847712039 /nfs/dbraw/zinc/71/20/39/847712039.db2.gz QWIATWONQYGIFT-UHFFFAOYSA-N 2 2 387.549 3.607 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414498671 847712993 /nfs/dbraw/zinc/71/29/93/847712993.db2.gz INHMBUAARUHQOY-XLIONFOSSA-N 2 2 378.944 3.983 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc4c(c3)CCCC4)CC2)CC1 ZINC000421121078 847741440 /nfs/dbraw/zinc/74/14/40/847741440.db2.gz ZWTXIMLUQBENCD-UHFFFAOYSA-N 2 2 384.568 3.589 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc4c(c3)CCCC4)CC2)CC1 ZINC000421121078 847741451 /nfs/dbraw/zinc/74/14/51/847741451.db2.gz ZWTXIMLUQBENCD-UHFFFAOYSA-N 2 2 384.568 3.589 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422739217 847803771 /nfs/dbraw/zinc/80/37/71/847803771.db2.gz KTKFQTJFMHAUCJ-WQTXXOFMSA-N 3 2 382.527 3.763 20 0 GHADLP COc1ccc([C@@H](NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422899428 847877688 /nfs/dbraw/zinc/87/76/88/847877688.db2.gz HNNVURHNAUTIQK-IFMALSPDSA-N 2 2 380.467 3.603 20 0 GHADLP OC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1c(Cl)cccc1Cl ZINC000423092465 847975766 /nfs/dbraw/zinc/97/57/66/847975766.db2.gz BYZNIZNSGDTVGS-FUHIMQAGSA-N 2 2 393.314 3.872 20 0 GHADLP Cc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1F ZINC000179947198 861865092 /nfs/dbraw/zinc/86/50/92/861865092.db2.gz GUVPDOGRAIDXGF-PMACEKPBSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1F ZINC000179947198 861865114 /nfs/dbraw/zinc/86/51/14/861865114.db2.gz GUVPDOGRAIDXGF-PMACEKPBSA-N 2 2 390.547 3.935 20 0 GHADLP FC(F)(F)c1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000657552297 848187843 /nfs/dbraw/zinc/18/78/43/848187843.db2.gz DIWUZBJTGZEEOF-QGZVFWFLSA-N 2 2 376.426 3.782 20 0 GHADLP FC(F)(F)c1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000657552297 848187845 /nfs/dbraw/zinc/18/78/45/848187845.db2.gz DIWUZBJTGZEEOF-QGZVFWFLSA-N 2 2 376.426 3.782 20 0 GHADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000548765042 848321636 /nfs/dbraw/zinc/32/16/36/848321636.db2.gz CXKFSPZGECJDTC-CQSZACIVSA-N 2 2 377.330 3.659 20 0 GHADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000548765042 848321649 /nfs/dbraw/zinc/32/16/49/848321649.db2.gz CXKFSPZGECJDTC-CQSZACIVSA-N 2 2 377.330 3.659 20 0 GHADLP C[C@H](CC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)n1cc[nH+]c1 ZINC000582790601 848383144 /nfs/dbraw/zinc/38/31/44/848383144.db2.gz VTLLPDIUVPEKRA-GOSISDBHSA-N 2 2 386.499 3.748 20 0 GHADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000582813954 848453819 /nfs/dbraw/zinc/45/38/19/848453819.db2.gz RIBBSMSPVYWWGB-QGZVFWFLSA-N 2 2 381.524 3.844 20 0 GHADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000582813954 848453823 /nfs/dbraw/zinc/45/38/23/848453823.db2.gz RIBBSMSPVYWWGB-QGZVFWFLSA-N 2 2 381.524 3.844 20 0 GHADLP C[C@H](O)C[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccc1 ZINC000121570234 848786417 /nfs/dbraw/zinc/78/64/17/848786417.db2.gz PACFWPFWTQIOMD-PZJWPPBQSA-N 2 2 381.564 3.866 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000153630398 848801474 /nfs/dbraw/zinc/80/14/74/848801474.db2.gz UZWVUZPZFBDFOK-OFNKIYASSA-N 2 2 379.548 3.630 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000153630398 848801485 /nfs/dbraw/zinc/80/14/85/848801485.db2.gz UZWVUZPZFBDFOK-OFNKIYASSA-N 2 2 379.548 3.630 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@H](c3ncc[nH]3)c3ccccc3)cc2)C[C@H](C)O1 ZINC000125700306 849566268 /nfs/dbraw/zinc/56/62/68/849566268.db2.gz BVJCWMNWOXXOEX-YYDVJCTNSA-N 2 2 390.531 3.898 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H](c3ncc[nH]3)c3ccccc3)cc2)C[C@H](C)O1 ZINC000125700306 849566272 /nfs/dbraw/zinc/56/62/72/849566272.db2.gz BVJCWMNWOXXOEX-YYDVJCTNSA-N 2 2 390.531 3.898 20 0 GHADLP FC(F)Oc1ccc2ccccc2c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750423 849597652 /nfs/dbraw/zinc/59/76/52/849597652.db2.gz BDDIJCSVQGFNDP-QGZVFWFLSA-N 2 2 376.447 3.784 20 0 GHADLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(Cl)s3)CC2)cc1 ZINC000237271699 862046061 /nfs/dbraw/zinc/04/60/61/862046061.db2.gz LVOALQCVSFYYPP-UHFFFAOYSA-N 2 2 379.957 3.712 20 0 GHADLP C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434758455 849745430 /nfs/dbraw/zinc/74/54/30/849745430.db2.gz STHTUIUONRKQLC-GOSISDBHSA-N 2 2 392.547 3.767 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423137125 849770476 /nfs/dbraw/zinc/77/04/76/849770476.db2.gz HSINWQVXPSGFQQ-LXBDKUERSA-N 2 2 383.511 3.744 20 0 GHADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(F)cc1Br ZINC000423234454 849820207 /nfs/dbraw/zinc/82/02/07/849820207.db2.gz PJXRWQRXBGKGKE-LBPRGKRZSA-N 2 2 379.277 3.566 20 0 GHADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1OC ZINC000423379374 849892392 /nfs/dbraw/zinc/89/23/92/849892392.db2.gz XKNDGNADGFOVOK-JNAXZKDPSA-N 2 2 390.474 3.648 20 0 GHADLP COC[C@@]1(C[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CCC[NH2+]1 ZINC000423439255 849932026 /nfs/dbraw/zinc/93/20/26/849932026.db2.gz VJPPJUARUDJCHR-JXFKEZNVSA-N 2 2 375.513 3.685 20 0 GHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000434983338 849951078 /nfs/dbraw/zinc/95/10/78/849951078.db2.gz UTMTUQNQNPYSBE-JOCHJYFZSA-N 2 2 390.487 3.978 20 0 GHADLP Brc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423492442 849953471 /nfs/dbraw/zinc/95/34/71/849953471.db2.gz NCIYCRRZRZKZBQ-OALUTQOASA-N 2 2 375.310 3.507 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000647934056 850086073 /nfs/dbraw/zinc/08/60/73/850086073.db2.gz DVMHLJHATXQDRV-FPOVZHCZSA-N 2 2 379.552 3.663 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000647934056 850086081 /nfs/dbraw/zinc/08/60/81/850086081.db2.gz DVMHLJHATXQDRV-FPOVZHCZSA-N 2 2 379.552 3.663 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC000908417530 850090709 /nfs/dbraw/zinc/09/07/09/850090709.db2.gz XBTRIYVMWBKWDF-HNNXBMFYSA-N 2 2 381.480 3.772 20 0 GHADLP Cc1cc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)c2ccc(F)c(F)c2n1 ZINC000486798379 850109730 /nfs/dbraw/zinc/10/97/30/850109730.db2.gz BSHPLHVGGWMWNE-UHFFFAOYSA-N 2 2 388.506 3.816 20 0 GHADLP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000486822697 850143702 /nfs/dbraw/zinc/14/37/02/850143702.db2.gz OLFPBVJRSGQSPD-PMACEKPBSA-N 2 2 389.902 3.716 20 0 GHADLP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000486822697 850143711 /nfs/dbraw/zinc/14/37/11/850143711.db2.gz OLFPBVJRSGQSPD-PMACEKPBSA-N 2 2 389.902 3.716 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425286614 850145760 /nfs/dbraw/zinc/14/57/60/850145760.db2.gz UTYZZLPBUKRFSX-RBBKRZOGSA-N 2 2 388.515 3.570 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425286614 850145769 /nfs/dbraw/zinc/14/57/69/850145769.db2.gz UTYZZLPBUKRFSX-RBBKRZOGSA-N 2 2 388.515 3.570 20 0 GHADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000514771997 850271256 /nfs/dbraw/zinc/27/12/56/850271256.db2.gz FERAFPIYVHGANA-JOCHJYFZSA-N 2 2 394.519 3.795 20 0 GHADLP COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)N(C)C)cc1OC ZINC000180379716 862110533 /nfs/dbraw/zinc/11/05/33/862110533.db2.gz YKQANHOMKPMIFG-LAUBAEHRSA-N 2 2 394.519 3.843 20 0 GHADLP C[C@H]1C[NH+](CCC[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000486960397 850299697 /nfs/dbraw/zinc/29/96/97/850299697.db2.gz ZHDNMFCMAAIBBR-GJZGRUSLSA-N 2 2 396.457 3.684 20 0 GHADLP CC[C@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000504797672 850305494 /nfs/dbraw/zinc/30/54/94/850305494.db2.gz UUVITKYDDNLKFK-QHCPKHFHSA-N 2 2 388.515 3.668 20 0 GHADLP CC[C@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000504797672 850305514 /nfs/dbraw/zinc/30/55/14/850305514.db2.gz UUVITKYDDNLKFK-QHCPKHFHSA-N 2 2 388.515 3.668 20 0 GHADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000647940094 850344097 /nfs/dbraw/zinc/34/40/97/850344097.db2.gz MDQHCVFMSFGKDD-LRXVAGHRSA-N 2 2 381.520 3.652 20 0 GHADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000647940094 850344104 /nfs/dbraw/zinc/34/41/04/850344104.db2.gz MDQHCVFMSFGKDD-LRXVAGHRSA-N 2 2 381.520 3.652 20 0 GHADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000435382400 850447657 /nfs/dbraw/zinc/44/76/57/850447657.db2.gz ZRRHOAIHAODBFV-CABCVRRESA-N 2 2 390.325 3.592 20 0 GHADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000435382400 850447663 /nfs/dbraw/zinc/44/76/63/850447663.db2.gz ZRRHOAIHAODBFV-CABCVRRESA-N 2 2 390.325 3.592 20 0 GHADLP O[C@H]1CC[N@@H+](C2CC[NH+](C/C=C\c3ccc(OCc4ccccc4)cc3)CC2)C1 ZINC000668740170 850469279 /nfs/dbraw/zinc/46/92/79/850469279.db2.gz QTZJCHIUZFAWDZ-YUAYSCSESA-N 2 2 392.543 3.810 20 0 GHADLP O[C@H]1CC[N@H+](C2CC[NH+](C/C=C\c3ccc(OCc4ccccc4)cc3)CC2)C1 ZINC000668740170 850469286 /nfs/dbraw/zinc/46/92/86/850469286.db2.gz QTZJCHIUZFAWDZ-YUAYSCSESA-N 2 2 392.543 3.810 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435423172 850504013 /nfs/dbraw/zinc/50/40/13/850504013.db2.gz PAJMQPZNOCLXRC-GOSISDBHSA-N 2 2 390.478 3.649 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435423172 850504018 /nfs/dbraw/zinc/50/40/18/850504018.db2.gz PAJMQPZNOCLXRC-GOSISDBHSA-N 2 2 390.478 3.649 20 0 GHADLP CCOc1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000435423892 850505644 /nfs/dbraw/zinc/50/56/44/850505644.db2.gz WWRONODRNHZNGO-IBGZPJMESA-N 2 2 387.549 3.695 20 0 GHADLP CCOc1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000435423892 850505645 /nfs/dbraw/zinc/50/56/45/850505645.db2.gz WWRONODRNHZNGO-IBGZPJMESA-N 2 2 387.549 3.695 20 0 GHADLP O=c1[nH]c2ccccc2cc1C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435430286 850514696 /nfs/dbraw/zinc/51/46/96/850514696.db2.gz ZYZNFLOWUPNBGD-GOSISDBHSA-N 2 2 380.517 3.541 20 0 GHADLP O=c1[nH]c2ccccc2cc1C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435430286 850514703 /nfs/dbraw/zinc/51/47/03/850514703.db2.gz ZYZNFLOWUPNBGD-GOSISDBHSA-N 2 2 380.517 3.541 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1ccc2ncccc2c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435440293 850529913 /nfs/dbraw/zinc/52/99/13/850529913.db2.gz VJMQNSNQJQTFFW-OAQYLSRUSA-N 2 2 375.520 3.596 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1ccc2ncccc2c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435440293 850529923 /nfs/dbraw/zinc/52/99/23/850529923.db2.gz VJMQNSNQJQTFFW-OAQYLSRUSA-N 2 2 375.520 3.596 20 0 GHADLP Cn1ncc(Br)c1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000487257353 850626043 /nfs/dbraw/zinc/62/60/43/850626043.db2.gz CYJZVLARMQIHBA-UHFFFAOYSA-N 2 2 391.357 3.848 20 0 GHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)C2)C1 ZINC000519125002 850656298 /nfs/dbraw/zinc/65/62/98/850656298.db2.gz UYTIQSDDRHYNHA-LJQANCHMSA-N 2 2 389.341 3.553 20 0 GHADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)C2)C1 ZINC000519125002 850656305 /nfs/dbraw/zinc/65/63/05/850656305.db2.gz UYTIQSDDRHYNHA-LJQANCHMSA-N 2 2 389.341 3.553 20 0 GHADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)C2)C1 ZINC000519125002 850656311 /nfs/dbraw/zinc/65/63/11/850656311.db2.gz UYTIQSDDRHYNHA-LJQANCHMSA-N 2 2 389.341 3.553 20 0 GHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)C2)C1 ZINC000519125002 850656317 /nfs/dbraw/zinc/65/63/17/850656317.db2.gz UYTIQSDDRHYNHA-LJQANCHMSA-N 2 2 389.341 3.553 20 0 GHADLP c1ccc(CCCOc2cccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)c2)cc1 ZINC000732229281 862161820 /nfs/dbraw/zinc/16/18/20/862161820.db2.gz NREFPAHTGLTJGA-UPVQGACJSA-N 2 2 380.532 3.651 20 0 GHADLP c1ccc(CCCOc2cccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)c2)cc1 ZINC000732229281 862161832 /nfs/dbraw/zinc/16/18/32/862161832.db2.gz NREFPAHTGLTJGA-UPVQGACJSA-N 2 2 380.532 3.651 20 0 GHADLP CCC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000625502923 862163990 /nfs/dbraw/zinc/16/39/90/862163990.db2.gz FMLOYNSCZSBPHQ-LEWJYISDSA-N 2 2 391.987 3.851 20 0 GHADLP CCC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000625502923 862163998 /nfs/dbraw/zinc/16/39/98/862163998.db2.gz FMLOYNSCZSBPHQ-LEWJYISDSA-N 2 2 391.987 3.851 20 0 GHADLP CC[C@@H](Cc1ccccc1C)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000424886721 850767213 /nfs/dbraw/zinc/76/72/13/850767213.db2.gz GCPRMYGJGUQZOS-NRFANRHFSA-N 2 2 385.596 3.582 20 0 GHADLP CC[C@@H](Cc1ccccc1C)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000424886721 850767221 /nfs/dbraw/zinc/76/72/21/850767221.db2.gz GCPRMYGJGUQZOS-NRFANRHFSA-N 2 2 385.596 3.582 20 0 GHADLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2c(OC(F)F)ccc3ccccc32)CCO1 ZINC000668785084 850769754 /nfs/dbraw/zinc/76/97/54/850769754.db2.gz LPSBEJOXBBUKRL-QGZVFWFLSA-N 2 2 378.463 3.984 20 0 GHADLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)CCO1 ZINC000668785084 850769757 /nfs/dbraw/zinc/76/97/57/850769757.db2.gz LPSBEJOXBBUKRL-QGZVFWFLSA-N 2 2 378.463 3.984 20 0 GHADLP Cn1ccnc1C[N@H+](CCOc1ccc2ccccc2c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435690318 850770326 /nfs/dbraw/zinc/77/03/26/850770326.db2.gz ALUXOGCNUKCARR-JOCHJYFZSA-N 2 2 390.531 3.596 20 0 GHADLP Cn1ccnc1C[N@@H+](CCOc1ccc2ccccc2c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435690318 850770335 /nfs/dbraw/zinc/77/03/35/850770335.db2.gz ALUXOGCNUKCARR-JOCHJYFZSA-N 2 2 390.531 3.596 20 0 GHADLP Brc1ccc(-c2ncc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)s2)cc1 ZINC000519235806 850793145 /nfs/dbraw/zinc/79/31/45/850793145.db2.gz CDQSHIUUZNHODG-ZDUSSCGKSA-N 2 2 389.322 3.943 20 0 GHADLP Fc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1Br ZINC000513819554 850911291 /nfs/dbraw/zinc/91/12/91/850911291.db2.gz YZUHKLOIWFXJQY-UHFFFAOYSA-N 2 2 385.321 3.523 20 0 GHADLP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513993274 851093532 /nfs/dbraw/zinc/09/35/32/851093532.db2.gz ZOHKHPFWELNXFO-OAQYLSRUSA-N 2 2 383.923 3.723 20 0 GHADLP CN(C(=O)NC1CCC2(CC2)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000434454987 851158194 /nfs/dbraw/zinc/15/81/94/851158194.db2.gz UGAQYIUGDBWDBH-RTWAWAEBSA-N 2 2 390.616 3.688 20 0 GHADLP CN(C(=O)NC1CCC2(CC2)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000434454987 851158201 /nfs/dbraw/zinc/15/82/01/851158201.db2.gz UGAQYIUGDBWDBH-RTWAWAEBSA-N 2 2 390.616 3.688 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(I)c(Cl)c2)CC[NH+]1C ZINC000436154182 851265432 /nfs/dbraw/zinc/26/54/32/851265432.db2.gz QNFWCGBAJGZCOT-AAEUAGOBSA-N 2 2 392.712 3.859 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(I)c(Cl)c2)CC[N@@H+]1C ZINC000436154182 851265404 /nfs/dbraw/zinc/26/54/04/851265404.db2.gz QNFWCGBAJGZCOT-AAEUAGOBSA-N 2 2 392.712 3.859 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(I)c(Cl)c2)CC[N@H+]1C ZINC000436154182 851265415 /nfs/dbraw/zinc/26/54/15/851265415.db2.gz QNFWCGBAJGZCOT-AAEUAGOBSA-N 2 2 392.712 3.859 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(I)c(Cl)c2)CC[NH+]1C ZINC000436154182 851265420 /nfs/dbraw/zinc/26/54/20/851265420.db2.gz QNFWCGBAJGZCOT-AAEUAGOBSA-N 2 2 392.712 3.859 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000515627047 851265720 /nfs/dbraw/zinc/26/57/20/851265720.db2.gz HPPAOPAHUGWZQT-DEOSSOPVSA-N 3 2 387.531 3.674 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000515627047 851265722 /nfs/dbraw/zinc/26/57/22/851265722.db2.gz HPPAOPAHUGWZQT-DEOSSOPVSA-N 3 2 387.531 3.674 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000515627047 851265725 /nfs/dbraw/zinc/26/57/25/851265725.db2.gz HPPAOPAHUGWZQT-DEOSSOPVSA-N 3 2 387.531 3.674 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000515627047 851265729 /nfs/dbraw/zinc/26/57/29/851265729.db2.gz HPPAOPAHUGWZQT-DEOSSOPVSA-N 3 2 387.531 3.674 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1)C1CC1 ZINC000505468756 851476377 /nfs/dbraw/zinc/47/63/77/851476377.db2.gz LZSSVINAWJJOBW-QFIPXVFZSA-N 2 2 381.495 3.597 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1)C1CC1 ZINC000505468756 851476385 /nfs/dbraw/zinc/47/63/85/851476385.db2.gz LZSSVINAWJJOBW-QFIPXVFZSA-N 2 2 381.495 3.597 20 0 GHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414883981 851570270 /nfs/dbraw/zinc/57/02/70/851570270.db2.gz UCCZCKATVJWPJQ-UHFFFAOYSA-N 2 2 377.536 3.521 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(OC(C)(C)C)n2)[C@@H]1c1cnn(C)c1 ZINC000434744233 851612147 /nfs/dbraw/zinc/61/21/47/851612147.db2.gz DCRQSMYXXCMFPJ-PGRDOPGGSA-N 2 2 399.583 3.897 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(OC(C)(C)C)n2)[C@@H]1c1cnn(C)c1 ZINC000434744233 851612154 /nfs/dbraw/zinc/61/21/54/851612154.db2.gz DCRQSMYXXCMFPJ-PGRDOPGGSA-N 2 2 399.583 3.897 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cccc(OC(C)(C)C)n2)[C@@H]1c1cnn(C)c1 ZINC000434744233 851612161 /nfs/dbraw/zinc/61/21/61/851612161.db2.gz DCRQSMYXXCMFPJ-PGRDOPGGSA-N 2 2 399.583 3.897 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cccc(OC(C)(C)C)n2)[C@@H]1c1cnn(C)c1 ZINC000434744233 851612164 /nfs/dbraw/zinc/61/21/64/851612164.db2.gz DCRQSMYXXCMFPJ-PGRDOPGGSA-N 2 2 399.583 3.897 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000180678241 862279802 /nfs/dbraw/zinc/27/98/02/862279802.db2.gz HQYKMBMFUVQGHG-APWZRJJASA-N 2 2 393.453 3.979 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000180678241 862279820 /nfs/dbraw/zinc/27/98/20/862279820.db2.gz HQYKMBMFUVQGHG-APWZRJJASA-N 2 2 393.453 3.979 20 0 GHADLP Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000488998547 851915276 /nfs/dbraw/zinc/91/52/76/851915276.db2.gz XJWDYZPBGXJWPQ-MOPGFXCFSA-N 2 2 383.580 3.651 20 0 GHADLP CC(C)(C)[NH+]1CCC(Nc2cc(NC3CC[NH+](C(C)(C)C)CC3)[nH+]cn2)CC1 ZINC000121900009 852035738 /nfs/dbraw/zinc/03/57/38/852035738.db2.gz FNKCFZIEYONIKO-UHFFFAOYSA-N 3 2 388.604 3.826 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCCC1)c1ccccc1 ZINC000489311919 852212049 /nfs/dbraw/zinc/21/20/49/852212049.db2.gz IQROHRNFELKHKX-SFHVURJKSA-N 2 2 389.503 3.661 20 0 GHADLP COc1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc(OC)c1OCC(F)F ZINC000516171418 852241663 /nfs/dbraw/zinc/24/16/63/852241663.db2.gz OKRPWULWSFNZEC-MRXNPFEDSA-N 2 2 386.483 3.654 20 0 GHADLP COc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc(OC)c1OCC(F)F ZINC000516171418 852241666 /nfs/dbraw/zinc/24/16/66/852241666.db2.gz OKRPWULWSFNZEC-MRXNPFEDSA-N 2 2 386.483 3.654 20 0 GHADLP COc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc(OC)c1OCC(F)F ZINC000516171418 852241673 /nfs/dbraw/zinc/24/16/73/852241673.db2.gz OKRPWULWSFNZEC-MRXNPFEDSA-N 2 2 386.483 3.654 20 0 GHADLP COc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc(OC)c1OCC(F)F ZINC000516171418 852241681 /nfs/dbraw/zinc/24/16/81/852241681.db2.gz OKRPWULWSFNZEC-MRXNPFEDSA-N 2 2 386.483 3.654 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000329818074 862342436 /nfs/dbraw/zinc/34/24/36/862342436.db2.gz FQBGIURNDURUCF-OAQYLSRUSA-N 2 2 396.535 3.742 20 0 GHADLP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000150802474 852408136 /nfs/dbraw/zinc/40/81/36/852408136.db2.gz XONQRGDTGVLQFG-MJGOQNOKSA-N 2 2 384.524 3.998 20 0 GHADLP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000150802474 852408143 /nfs/dbraw/zinc/40/81/43/852408143.db2.gz XONQRGDTGVLQFG-MJGOQNOKSA-N 2 2 384.524 3.998 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000517798793 852437315 /nfs/dbraw/zinc/43/73/15/852437315.db2.gz OTNBSSIOIQJPIU-JOCHJYFZSA-N 2 2 376.504 3.631 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000517802583 852442311 /nfs/dbraw/zinc/44/23/11/852442311.db2.gz SEASFXSPFBXZRS-UHFFFAOYSA-N 2 2 380.536 3.842 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000625564361 862364555 /nfs/dbraw/zinc/36/45/55/862364555.db2.gz IACVKANEFBPMGM-FGZHOGPDSA-N 2 2 382.552 3.574 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000625564361 862364574 /nfs/dbraw/zinc/36/45/74/862364574.db2.gz IACVKANEFBPMGM-FGZHOGPDSA-N 2 2 382.552 3.574 20 0 GHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000427089574 852716810 /nfs/dbraw/zinc/71/68/10/852716810.db2.gz ZVXNNWZRQLRRQN-UFYCRDLUSA-N 2 2 393.934 3.746 20 0 GHADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000427089574 852716814 /nfs/dbraw/zinc/71/68/14/852716814.db2.gz ZVXNNWZRQLRRQN-UFYCRDLUSA-N 2 2 393.934 3.746 20 0 GHADLP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000427089574 852716819 /nfs/dbraw/zinc/71/68/19/852716819.db2.gz ZVXNNWZRQLRRQN-UFYCRDLUSA-N 2 2 393.934 3.746 20 0 GHADLP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000427089574 852716822 /nfs/dbraw/zinc/71/68/22/852716822.db2.gz ZVXNNWZRQLRRQN-UFYCRDLUSA-N 2 2 393.934 3.746 20 0 GHADLP C[C@H](c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000518025410 852748683 /nfs/dbraw/zinc/74/86/83/852748683.db2.gz JZQVIZULPORUKU-XXBNENTESA-N 2 2 393.531 3.683 20 0 GHADLP C[C@H](c1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000518025410 852748694 /nfs/dbraw/zinc/74/86/94/852748694.db2.gz JZQVIZULPORUKU-XXBNENTESA-N 2 2 393.531 3.683 20 0 GHADLP Cn1cc(-c2ccc(C[NH2+][C@H]3C[NH2+]CC[C@@H]3c3ccc(F)c(F)c3)s2)cn1 ZINC000414954414 852872875 /nfs/dbraw/zinc/87/28/75/852872875.db2.gz KQMMWPQDCYXXNW-APWZRJJASA-N 2 2 388.487 3.662 20 0 GHADLP OC[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Cc1c(F)cccc1Cl ZINC000507497293 852958492 /nfs/dbraw/zinc/95/84/92/852958492.db2.gz RKIVKBHCPVXZOY-ZDUSSCGKSA-N 2 2 396.856 3.637 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000473870805 853253593 /nfs/dbraw/zinc/25/35/93/853253593.db2.gz ZOYMASGJFGKZRH-MAUKXSAKSA-N 2 2 396.457 3.737 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000439092879 853277787 /nfs/dbraw/zinc/27/77/87/853277787.db2.gz ZAGPXAOUTSSNFP-QGZVFWFLSA-N 2 2 392.503 3.792 20 0 GHADLP Cc1cccc2c1CC[N@H+](CC(=O)Nc1cccc(C[NH+]3CCSCC3)c1)C2 ZINC000729479694 853454000 /nfs/dbraw/zinc/45/40/00/853454000.db2.gz BPDCTHFONVHVRX-UHFFFAOYSA-N 2 2 395.572 3.541 20 0 GHADLP Cc1cccc2c1CC[N@@H+](CC(=O)Nc1cccc(C[NH+]3CCSCC3)c1)C2 ZINC000729479694 853454009 /nfs/dbraw/zinc/45/40/09/853454009.db2.gz BPDCTHFONVHVRX-UHFFFAOYSA-N 2 2 395.572 3.541 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000586842677 853560814 /nfs/dbraw/zinc/56/08/14/853560814.db2.gz XHQNJPIOGYRIQB-UHFFFAOYSA-N 2 2 391.987 3.636 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000586842677 853560826 /nfs/dbraw/zinc/56/08/26/853560826.db2.gz XHQNJPIOGYRIQB-UHFFFAOYSA-N 2 2 391.987 3.636 20 0 GHADLP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C2CC[NH+](CC4CC4)CC2)CC3)c1 ZINC001168377375 853615420 /nfs/dbraw/zinc/61/54/20/853615420.db2.gz FXHQWCMCGWDPPB-UHFFFAOYSA-N 3 2 397.607 3.858 20 0 GHADLP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C2CC[NH+](CC4CC4)CC2)CC3)c1 ZINC001168377375 853615428 /nfs/dbraw/zinc/61/54/28/853615428.db2.gz FXHQWCMCGWDPPB-UHFFFAOYSA-N 3 2 397.607 3.858 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+]c2ccc(N3CC[NH+](C)CC3)cc2C)cc1O ZINC000426393390 853679312 /nfs/dbraw/zinc/67/93/12/853679312.db2.gz DLQWGBILHSTGER-SFHVURJKSA-N 2 2 383.536 3.894 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000440844647 853689705 /nfs/dbraw/zinc/68/97/05/853689705.db2.gz NASUHXRJOAVXBB-DWLFOUALSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000440844647 853689707 /nfs/dbraw/zinc/68/97/07/853689707.db2.gz NASUHXRJOAVXBB-DWLFOUALSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c(C)c1 ZINC000440857292 853707212 /nfs/dbraw/zinc/70/72/12/853707212.db2.gz SFTNODSDKCCVFV-IRLDBZIGSA-N 2 2 397.567 3.518 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c(C)c1 ZINC000440857292 853707217 /nfs/dbraw/zinc/70/72/17/853707217.db2.gz SFTNODSDKCCVFV-IRLDBZIGSA-N 2 2 397.567 3.518 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+]CC2([NH+]3CCSCC3)CCCC2)cc1O ZINC000426398134 853709178 /nfs/dbraw/zinc/70/91/78/853709178.db2.gz WLESZRKXZHAVQQ-KRWDZBQOSA-N 2 2 378.582 3.673 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)Nc3ccc(OCC[N@H+]4CC[C@@H](C)C4)cc3)ccn12 ZINC000571343199 853848941 /nfs/dbraw/zinc/84/89/41/853848941.db2.gz UDQNRTZSWMJZAN-MRXNPFEDSA-N 2 2 378.476 3.616 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)Nc3ccc(OCC[N@@H+]4CC[C@@H](C)C4)cc3)ccn12 ZINC000571343199 853848945 /nfs/dbraw/zinc/84/89/45/853848945.db2.gz UDQNRTZSWMJZAN-MRXNPFEDSA-N 2 2 378.476 3.616 20 0 GHADLP Cc1ccc([C@@H](OC[C@@H](O)C[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c2ccccc2)cc1 ZINC000571413895 853873189 /nfs/dbraw/zinc/87/31/89/853873189.db2.gz BQYIBFHQYNQGDH-NDBXHCKUSA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccc([C@@H](OC[C@@H](O)C[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c2ccccc2)cc1 ZINC000571413895 853873191 /nfs/dbraw/zinc/87/31/91/853873191.db2.gz BQYIBFHQYNQGDH-NDBXHCKUSA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccc([C@@H](OC[C@@H](O)C[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c2ccccc2)cc1 ZINC000571413895 853873192 /nfs/dbraw/zinc/87/31/92/853873192.db2.gz BQYIBFHQYNQGDH-NDBXHCKUSA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccc([C@@H](OC[C@@H](O)C[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c2ccccc2)cc1 ZINC000571413895 853873194 /nfs/dbraw/zinc/87/31/94/853873194.db2.gz BQYIBFHQYNQGDH-NDBXHCKUSA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441382266 854142985 /nfs/dbraw/zinc/14/29/85/854142985.db2.gz KJBHHCJTHBCTFY-NZQKXSOJSA-N 2 2 390.531 3.844 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2ccnn2C(C)C)c(C)c1 ZINC000441390651 854171305 /nfs/dbraw/zinc/17/13/05/854171305.db2.gz YBIIWKRSZQMXQS-AZUAARDMSA-N 2 2 394.523 3.635 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000441392312 854174582 /nfs/dbraw/zinc/17/45/82/854174582.db2.gz COCXUKVBAIQRQJ-JKFKMHIGSA-N 2 2 395.591 3.691 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000441392312 854174586 /nfs/dbraw/zinc/17/45/86/854174586.db2.gz COCXUKVBAIQRQJ-JKFKMHIGSA-N 2 2 395.591 3.691 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000441392312 854174588 /nfs/dbraw/zinc/17/45/88/854174588.db2.gz COCXUKVBAIQRQJ-JKFKMHIGSA-N 2 2 395.591 3.691 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000441392312 854174591 /nfs/dbraw/zinc/17/45/91/854174591.db2.gz COCXUKVBAIQRQJ-JKFKMHIGSA-N 2 2 395.591 3.691 20 0 GHADLP C[N@@H+](Cc1cc(Br)ccc1OC(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000112657966 854285074 /nfs/dbraw/zinc/28/50/74/854285074.db2.gz BPJQADKNUPMUHD-LBPRGKRZSA-N 2 2 377.273 3.824 20 0 GHADLP C[N@H+](Cc1cc(Br)ccc1OC(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000112657966 854285079 /nfs/dbraw/zinc/28/50/79/854285079.db2.gz BPJQADKNUPMUHD-LBPRGKRZSA-N 2 2 377.273 3.824 20 0 GHADLP C[NH+](Cc1cc(Br)ccc1OC(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000112657966 854285084 /nfs/dbraw/zinc/28/50/84/854285084.db2.gz BPJQADKNUPMUHD-LBPRGKRZSA-N 2 2 377.273 3.824 20 0 GHADLP C[NH+](Cc1cc(Br)ccc1OC(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000112657966 854285089 /nfs/dbraw/zinc/28/50/89/854285089.db2.gz BPJQADKNUPMUHD-LBPRGKRZSA-N 2 2 377.273 3.824 20 0 GHADLP Cc1cccc(C2(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CCCCC2)c1 ZINC000050797356 854358479 /nfs/dbraw/zinc/35/84/79/854358479.db2.gz JFXLZJLQLBBGOY-UHFFFAOYSA-N 2 2 397.607 3.872 20 0 GHADLP O=C1OC2(CN1c1ccccc1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167996169 854661631 /nfs/dbraw/zinc/66/16/31/854661631.db2.gz YGIJWYAANVUESP-CBQGHPETSA-N 2 2 395.547 3.883 20 0 GHADLP O=C1OC2(CN1c1ccccc1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167996169 854661636 /nfs/dbraw/zinc/66/16/36/854661636.db2.gz YGIJWYAANVUESP-CBQGHPETSA-N 2 2 395.547 3.883 20 0 GHADLP CC(C)[C@H]1OCCC[C@H]1Nc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc[nH+]1 ZINC000330139078 862607764 /nfs/dbraw/zinc/60/77/64/862607764.db2.gz ORBOTXZWNMWAFH-RCLSDMTESA-N 2 2 387.572 3.544 20 0 GHADLP CC(C)[C@H]1OCCC[C@H]1Nc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc[nH+]1 ZINC000330139078 862607766 /nfs/dbraw/zinc/60/77/66/862607766.db2.gz ORBOTXZWNMWAFH-RCLSDMTESA-N 2 2 387.572 3.544 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000590155732 855301736 /nfs/dbraw/zinc/30/17/36/855301736.db2.gz YOIHWOXFMNOYMG-NQIIRXRSSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000590155732 855301740 /nfs/dbraw/zinc/30/17/40/855301740.db2.gz YOIHWOXFMNOYMG-NQIIRXRSSA-N 2 2 395.551 3.873 20 0 GHADLP O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000282504714 862690216 /nfs/dbraw/zinc/69/02/16/862690216.db2.gz NXIPNEIFWKRPHV-PZJWPPBQSA-N 2 2 392.547 3.561 20 0 GHADLP O=C(c1ccccc1)N1CC[C@@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000282504714 862690220 /nfs/dbraw/zinc/69/02/20/862690220.db2.gz NXIPNEIFWKRPHV-PZJWPPBQSA-N 2 2 392.547 3.561 20 0 GHADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000591083278 855752843 /nfs/dbraw/zinc/75/28/43/855752843.db2.gz UGEXWFYQQGDHOB-UKRRQHHQSA-N 2 2 381.307 3.704 20 0 GHADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000591083278 855752849 /nfs/dbraw/zinc/75/28/49/855752849.db2.gz UGEXWFYQQGDHOB-UKRRQHHQSA-N 2 2 381.307 3.704 20 0 GHADLP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674397256 856252004 /nfs/dbraw/zinc/25/20/04/856252004.db2.gz DHEPJIQXIHTSRB-OAQYLSRUSA-N 2 2 381.524 3.526 20 0 GHADLP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674397256 856252013 /nfs/dbraw/zinc/25/20/13/856252013.db2.gz DHEPJIQXIHTSRB-OAQYLSRUSA-N 2 2 381.524 3.526 20 0 GHADLP c1ccc(N2CC[NH+](CCC[NH+]3CCC(C[NH+]4CCCCCC4)CC3)CC2)cc1 ZINC000671677206 856301545 /nfs/dbraw/zinc/30/15/45/856301545.db2.gz QCOQBLZFDCKIJY-UHFFFAOYSA-N 3 2 398.639 3.787 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)NCCNc1cccc[nH+]1)c1ccccc1Cl ZINC000060867364 856383893 /nfs/dbraw/zinc/38/38/93/856383893.db2.gz QMOTVXIVKMNLHA-SFHVURJKSA-N 2 2 389.931 3.529 20 0 GHADLP Cc1nc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)sc1Br ZINC000895132204 856545746 /nfs/dbraw/zinc/54/57/46/856545746.db2.gz PWHAVQAEMASCAC-JOCQHMNTSA-N 2 2 381.343 3.886 20 0 GHADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000045976095 856792560 /nfs/dbraw/zinc/79/25/60/856792560.db2.gz DTZKVIWSHIGBHZ-QGZVFWFLSA-N 2 2 393.601 3.763 20 0 GHADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000045976095 856792563 /nfs/dbraw/zinc/79/25/63/856792563.db2.gz DTZKVIWSHIGBHZ-QGZVFWFLSA-N 2 2 393.601 3.763 20 0 GHADLP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000906092035 856808231 /nfs/dbraw/zinc/80/82/31/856808231.db2.gz DUBUBJPXJJLSER-GOSISDBHSA-N 2 2 397.548 3.509 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000665249938 856879002 /nfs/dbraw/zinc/87/90/02/856879002.db2.gz BVLFUIGMYYIAIJ-SXSPYAJSSA-N 2 2 390.531 3.795 20 0 GHADLP CCC[N@H+](C)CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000592872784 857118909 /nfs/dbraw/zinc/11/89/09/857118909.db2.gz PEZJKLVYIQQACK-UHFFFAOYSA-N 2 2 376.504 3.556 20 0 GHADLP CCC[N@@H+](C)CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000592872784 857118921 /nfs/dbraw/zinc/11/89/21/857118921.db2.gz PEZJKLVYIQQACK-UHFFFAOYSA-N 2 2 376.504 3.556 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000665256504 857138123 /nfs/dbraw/zinc/13/81/23/857138123.db2.gz CAPWESVHHZSYGL-VSDWSMLSSA-N 2 2 376.504 3.677 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181446984 862882894 /nfs/dbraw/zinc/88/28/94/862882894.db2.gz NFYFVFAPGRCNGT-GOEBONIOSA-N 2 2 382.414 3.607 20 0 GHADLP CC(C)C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000574078950 857214347 /nfs/dbraw/zinc/21/43/47/857214347.db2.gz CKEKLLYYTYYSRU-ZWKOTPCHSA-N 2 2 386.565 3.557 20 0 GHADLP COc1ccccc1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000574174459 857261232 /nfs/dbraw/zinc/26/12/32/857261232.db2.gz ODFBKGLXDSCOSR-OAQYLSRUSA-N 2 2 381.520 3.524 20 0 GHADLP COc1ccccc1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000574174459 857261241 /nfs/dbraw/zinc/26/12/41/857261241.db2.gz ODFBKGLXDSCOSR-OAQYLSRUSA-N 2 2 381.520 3.524 20 0 GHADLP O[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000766128070 857341559 /nfs/dbraw/zinc/34/15/59/857341559.db2.gz IMVGNHHTDQDWCT-OFAXGOBFSA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000766128070 857341572 /nfs/dbraw/zinc/34/15/72/857341572.db2.gz IMVGNHHTDQDWCT-OFAXGOBFSA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000766128070 857341578 /nfs/dbraw/zinc/34/15/78/857341578.db2.gz IMVGNHHTDQDWCT-OFAXGOBFSA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000766128070 857341589 /nfs/dbraw/zinc/34/15/89/857341589.db2.gz IMVGNHHTDQDWCT-OFAXGOBFSA-N 2 2 386.486 3.985 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675499577 857476469 /nfs/dbraw/zinc/47/64/69/857476469.db2.gz MJCZMEZBUVJWRH-RBUKOAKNSA-N 2 2 388.515 3.623 20 0 GHADLP CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000671721236 857495258 /nfs/dbraw/zinc/49/52/58/857495258.db2.gz WAJUZIDEUIKCTJ-MWNKXFNGSA-N 2 2 389.628 3.904 20 0 GHADLP CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000671721236 857495260 /nfs/dbraw/zinc/49/52/60/857495260.db2.gz WAJUZIDEUIKCTJ-MWNKXFNGSA-N 2 2 389.628 3.904 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000672578857 857495183 /nfs/dbraw/zinc/49/51/83/857495183.db2.gz ANXAZWBLFVUOQG-QFUCXCTJSA-N 2 2 397.588 3.910 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000672578857 857495190 /nfs/dbraw/zinc/49/51/90/857495190.db2.gz ANXAZWBLFVUOQG-QFUCXCTJSA-N 2 2 397.588 3.910 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000672578857 857495193 /nfs/dbraw/zinc/49/51/93/857495193.db2.gz ANXAZWBLFVUOQG-QFUCXCTJSA-N 2 2 397.588 3.910 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000672578857 857495195 /nfs/dbraw/zinc/49/51/95/857495195.db2.gz ANXAZWBLFVUOQG-QFUCXCTJSA-N 2 2 397.588 3.910 20 0 GHADLP CC1(C)CC(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC(C)(C)[NH2+]1 ZINC000130971138 857619577 /nfs/dbraw/zinc/61/95/77/857619577.db2.gz YVOKFECEDSLTNY-UXHICEINSA-N 2 2 395.551 3.720 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Oc2ccccc2)cc1 ZINC000675885486 857660413 /nfs/dbraw/zinc/66/04/13/857660413.db2.gz CIARTWAMJNMBPA-IFMALSPDSA-N 2 2 395.547 3.536 20 0 GHADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000675918224 857665063 /nfs/dbraw/zinc/66/50/63/857665063.db2.gz FJKJFVUIURMVGE-UTKZUKDTSA-N 2 2 392.503 3.719 20 0 GHADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675921100 857666244 /nfs/dbraw/zinc/66/62/44/857666244.db2.gz VLSMXOXQBMAAPQ-GHTZIAJQSA-N 2 2 376.504 3.735 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923753 857667781 /nfs/dbraw/zinc/66/77/81/857667781.db2.gz USLNYBBXPGCNQJ-UZLBHIALSA-N 2 2 380.467 3.850 20 0 GHADLP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000676130558 857745195 /nfs/dbraw/zinc/74/51/95/857745195.db2.gz YYSACJDUSQKXSN-NHCUHLMSSA-N 2 2 399.458 3.514 20 0 GHADLP COc1ccccc1[C@H]([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000165341602 857971513 /nfs/dbraw/zinc/97/15/13/857971513.db2.gz UGXLVNKELQEANF-FQEVSTJZSA-N 2 2 378.476 3.702 20 0 GHADLP C[C@H](CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[N@H+](C)Cc1ccccc1 ZINC000499648565 858062646 /nfs/dbraw/zinc/06/26/46/858062646.db2.gz MPNXDVGVVKVOHK-LJQANCHMSA-N 2 2 376.504 3.572 20 0 GHADLP C[C@H](CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[N@@H+](C)Cc1ccccc1 ZINC000499648565 858062654 /nfs/dbraw/zinc/06/26/54/858062654.db2.gz MPNXDVGVVKVOHK-LJQANCHMSA-N 2 2 376.504 3.572 20 0 GHADLP C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000543080827 858233809 /nfs/dbraw/zinc/23/38/09/858233809.db2.gz HVAMENFKXXKAOU-FPOVZHCZSA-N 2 2 384.593 3.608 20 0 GHADLP C[C@@H](Cc1ccsc1)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000543080827 858233816 /nfs/dbraw/zinc/23/38/16/858233816.db2.gz HVAMENFKXXKAOU-FPOVZHCZSA-N 2 2 384.593 3.608 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC[C@H]21 ZINC000428265332 858240132 /nfs/dbraw/zinc/24/01/32/858240132.db2.gz HVSZCHKCHCUADC-AZUAARDMSA-N 2 2 392.469 3.866 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC[C@H]21 ZINC000428265332 858240136 /nfs/dbraw/zinc/24/01/36/858240136.db2.gz HVSZCHKCHCUADC-AZUAARDMSA-N 2 2 392.469 3.866 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC[C@H]21 ZINC000428265332 858240144 /nfs/dbraw/zinc/24/01/44/858240144.db2.gz HVSZCHKCHCUADC-AZUAARDMSA-N 2 2 392.469 3.866 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC[C@H]21 ZINC000428265332 858240152 /nfs/dbraw/zinc/24/01/52/858240152.db2.gz HVSZCHKCHCUADC-AZUAARDMSA-N 2 2 392.469 3.866 20 0 GHADLP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543110206 858402290 /nfs/dbraw/zinc/40/22/90/858402290.db2.gz PRACPSNXGSCHHY-UHFFFAOYSA-N 2 2 394.563 3.814 20 0 GHADLP c1cc2n(n1)C[C@@H](C[NH2+]Cc1ccccc1-c1ccc(Cn3cc[nH+]c3)cc1)CN2 ZINC000595147549 858428030 /nfs/dbraw/zinc/42/80/30/858428030.db2.gz VDMJIRBXRGKJEF-FQEVSTJZSA-N 2 2 398.514 3.626 20 0 GHADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000522063722 858586518 /nfs/dbraw/zinc/58/65/18/858586518.db2.gz ZRQSJGMFJPKGJL-GOSISDBHSA-N 2 2 383.540 3.572 20 0 GHADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000522063722 858586525 /nfs/dbraw/zinc/58/65/25/858586525.db2.gz ZRQSJGMFJPKGJL-GOSISDBHSA-N 2 2 383.540 3.572 20 0 GHADLP Cc1cccc(-c2nnc([C@H](C)[NH+]3CCC(N4CC[NH+](C(C)C)CC4)CC3)o2)c1 ZINC000761128292 858649529 /nfs/dbraw/zinc/64/95/29/858649529.db2.gz UYRJXIMIQLBFFL-IBGZPJMESA-N 2 2 397.567 3.596 20 0 GHADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000595825567 858700370 /nfs/dbraw/zinc/70/03/70/858700370.db2.gz FHGVRXKQUBBVCJ-SFHVURJKSA-N 2 2 376.545 3.503 20 0 GHADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000595825567 858700376 /nfs/dbraw/zinc/70/03/76/858700376.db2.gz FHGVRXKQUBBVCJ-SFHVURJKSA-N 2 2 376.545 3.503 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)c(Cl)c1Cl ZINC000482638805 858712491 /nfs/dbraw/zinc/71/24/91/858712491.db2.gz CCRKTBSQYNHZFD-MFKMUULPSA-N 2 2 378.731 3.637 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)c(Cl)c1Cl ZINC000482638805 858712499 /nfs/dbraw/zinc/71/24/99/858712499.db2.gz CCRKTBSQYNHZFD-MFKMUULPSA-N 2 2 378.731 3.637 20 0 GHADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000181930551 863057911 /nfs/dbraw/zinc/05/79/11/863057911.db2.gz HHVRYJNFMOAQLK-HXUWFJFHSA-N 2 2 394.563 3.816 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509277077 858920492 /nfs/dbraw/zinc/92/04/92/858920492.db2.gz RJPRIFNLCXCHSI-UHFFFAOYSA-N 3 2 386.628 3.643 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509277077 858920502 /nfs/dbraw/zinc/92/05/02/858920502.db2.gz RJPRIFNLCXCHSI-UHFFFAOYSA-N 3 2 386.628 3.643 20 0 GHADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000116396038 858959561 /nfs/dbraw/zinc/95/95/61/858959561.db2.gz UCLIOKJQQJQSBD-SMDDNHRTSA-N 2 2 375.344 3.671 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000474095673 858960085 /nfs/dbraw/zinc/96/00/85/858960085.db2.gz IVHMXFLEJJNDAP-MRXNPFEDSA-N 2 2 384.351 3.951 20 0 GHADLP COc1c[nH+]c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1NC1CC1 ZINC001170330469 881369606 /nfs/dbraw/zinc/36/96/06/881369606.db2.gz GOPSQDGIYSZRLD-LDLYASANSA-N 2 2 379.508 3.667 20 0 GHADLP COc1c[nH+]c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1NC1CC1 ZINC001170330469 881369622 /nfs/dbraw/zinc/36/96/22/881369622.db2.gz GOPSQDGIYSZRLD-LDLYASANSA-N 2 2 379.508 3.667 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)[C@@H](C)C1 ZINC000483144901 859179936 /nfs/dbraw/zinc/17/99/36/859179936.db2.gz OKDGAKZVBQAYGF-BXWFABGCSA-N 2 2 382.520 3.631 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)[C@@H](C)C1 ZINC000483144901 859179942 /nfs/dbraw/zinc/17/99/42/859179942.db2.gz OKDGAKZVBQAYGF-BXWFABGCSA-N 2 2 382.520 3.631 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3csc(-c4ccco4)n3)C2)ccn1 ZINC000856555036 881395551 /nfs/dbraw/zinc/39/55/51/881395551.db2.gz XYBPOCUTQKZJOR-IBGZPJMESA-N 2 2 398.532 3.903 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3csc(-c4ccco4)n3)C2)ccn1 ZINC000856555036 881395606 /nfs/dbraw/zinc/39/56/06/881395606.db2.gz XYBPOCUTQKZJOR-IBGZPJMESA-N 2 2 398.532 3.903 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3csc(-c4ccco4)n3)C2)ccn1 ZINC000856555036 881395680 /nfs/dbraw/zinc/39/56/80/881395680.db2.gz XYBPOCUTQKZJOR-IBGZPJMESA-N 2 2 398.532 3.903 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3csc(-c4ccco4)n3)C2)ccn1 ZINC000856555036 881395742 /nfs/dbraw/zinc/39/57/42/881395742.db2.gz XYBPOCUTQKZJOR-IBGZPJMESA-N 2 2 398.532 3.903 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(Br)o1 ZINC000483271102 859260889 /nfs/dbraw/zinc/26/08/89/859260889.db2.gz WZOWDATYDAUYSW-UHFFFAOYSA-N 3 2 398.389 3.670 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(Br)o1 ZINC000483271102 859260896 /nfs/dbraw/zinc/26/08/96/859260896.db2.gz WZOWDATYDAUYSW-UHFFFAOYSA-N 3 2 398.389 3.670 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000153661257 859270038 /nfs/dbraw/zinc/27/00/38/859270038.db2.gz YKAGEWMMSBLYDN-DXIQSLLYSA-N 2 2 395.551 3.701 20 0 GHADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(Br)o3)CC2)C[C@@H](C)O1 ZINC000483291243 859274929 /nfs/dbraw/zinc/27/49/29/859274929.db2.gz BEGOXBNOOHCSKJ-HUUCEWRRSA-N 2 2 385.346 3.753 20 0 GHADLP Cc1nc2c(s1)[C@@H]([N@H+](C)CCC[NH+]1CCN(c3ccccc3)CC1)CCC2 ZINC000509390493 859280396 /nfs/dbraw/zinc/28/03/96/859280396.db2.gz WTFFSOSXSXKSGF-NRFANRHFSA-N 2 2 384.593 3.973 20 0 GHADLP Cc1nc2c(s1)[C@@H]([N@@H+](C)CCC[NH+]1CCN(c3ccccc3)CC1)CCC2 ZINC000509390493 859280408 /nfs/dbraw/zinc/28/04/08/859280408.db2.gz WTFFSOSXSXKSGF-NRFANRHFSA-N 2 2 384.593 3.973 20 0 GHADLP C[N@H+](Cc1ccc(OCC2CC2)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000483352771 859305816 /nfs/dbraw/zinc/30/58/16/859305816.db2.gz CQTSLHYIBWPGTO-DEOSSOPVSA-N 2 2 380.532 3.544 20 0 GHADLP C[N@@H+](Cc1ccc(OCC2CC2)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000483352771 859305827 /nfs/dbraw/zinc/30/58/27/859305827.db2.gz CQTSLHYIBWPGTO-DEOSSOPVSA-N 2 2 380.532 3.544 20 0 GHADLP C[NH+](Cc1ccc(OCC2CC2)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000483352771 859305837 /nfs/dbraw/zinc/30/58/37/859305837.db2.gz CQTSLHYIBWPGTO-DEOSSOPVSA-N 2 2 380.532 3.544 20 0 GHADLP C[NH+](Cc1ccc(OCC2CC2)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000483352771 859305847 /nfs/dbraw/zinc/30/58/47/859305847.db2.gz CQTSLHYIBWPGTO-DEOSSOPVSA-N 2 2 380.532 3.544 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@H](C[NH2+]C1CCN(c3cccc[nH+]3)CC1)CCC2 ZINC000597200231 859357075 /nfs/dbraw/zinc/35/70/75/859357075.db2.gz HORNXBGRRNKRQI-IBGZPJMESA-N 2 2 379.504 3.547 20 0 GHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000522402343 859370372 /nfs/dbraw/zinc/37/03/72/859370372.db2.gz NTVQFVXXSWJLCZ-JOCHJYFZSA-N 2 2 395.551 3.716 20 0 GHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000522402343 859370380 /nfs/dbraw/zinc/37/03/80/859370380.db2.gz NTVQFVXXSWJLCZ-JOCHJYFZSA-N 2 2 395.551 3.716 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](c3ccccc3)C3CCCCC3)CC[C@H]21 ZINC000483485113 859407836 /nfs/dbraw/zinc/40/78/36/859407836.db2.gz YZBMBILMQIYESD-CQOQZXRMSA-N 2 2 383.580 3.840 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](c3ccccc3)C3CCCCC3)CC[C@H]21 ZINC000483485113 859407840 /nfs/dbraw/zinc/40/78/40/859407840.db2.gz YZBMBILMQIYESD-CQOQZXRMSA-N 2 2 383.580 3.840 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](c3ccccc3)C3CCCCC3)CC[C@H]21 ZINC000483485113 859407845 /nfs/dbraw/zinc/40/78/45/859407845.db2.gz YZBMBILMQIYESD-CQOQZXRMSA-N 2 2 383.580 3.840 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](c3ccccc3)C3CCCCC3)CC[C@H]21 ZINC000483485113 859407848 /nfs/dbraw/zinc/40/78/48/859407848.db2.gz YZBMBILMQIYESD-CQOQZXRMSA-N 2 2 383.580 3.840 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483494658 859422135 /nfs/dbraw/zinc/42/21/35/859422135.db2.gz WHVDDJXZAMYKJZ-WWNPGLIZSA-N 2 2 383.580 3.620 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483494658 859422141 /nfs/dbraw/zinc/42/21/41/859422141.db2.gz WHVDDJXZAMYKJZ-WWNPGLIZSA-N 2 2 383.580 3.620 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483494658 859422149 /nfs/dbraw/zinc/42/21/49/859422149.db2.gz WHVDDJXZAMYKJZ-WWNPGLIZSA-N 2 2 383.580 3.620 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483494658 859422155 /nfs/dbraw/zinc/42/21/55/859422155.db2.gz WHVDDJXZAMYKJZ-WWNPGLIZSA-N 2 2 383.580 3.620 20 0 GHADLP Cc1cccc(C)c1NC(=O)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000764582645 859516649 /nfs/dbraw/zinc/51/66/49/859516649.db2.gz GRTRXLMEGNILAE-UHFFFAOYSA-N 2 2 380.536 3.567 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000543393459 859546671 /nfs/dbraw/zinc/54/66/71/859546671.db2.gz FQUCYVAGCNKFKO-QFIPXVFZSA-N 2 2 380.467 3.896 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000543393459 859546682 /nfs/dbraw/zinc/54/66/82/859546682.db2.gz FQUCYVAGCNKFKO-QFIPXVFZSA-N 2 2 380.467 3.896 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cnn(-c2ccccc2)c1 ZINC000764772040 859604692 /nfs/dbraw/zinc/60/46/92/859604692.db2.gz WWGVHCIUVDYOCT-OAQYLSRUSA-N 2 2 389.547 3.735 20 0 GHADLP Cc1cc([C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c2cccnc2)ccc1F ZINC000543425076 859673022 /nfs/dbraw/zinc/67/30/22/859673022.db2.gz MOUKRRDZNDDQMF-VXNXHJTFSA-N 2 2 397.538 3.976 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(OC(F)F)c1 ZINC000484148822 859837314 /nfs/dbraw/zinc/83/73/14/859837314.db2.gz USQDAVUNWMNCLS-LRQRDZAKSA-N 2 2 390.474 3.822 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(OC(F)F)c1 ZINC000484148822 859837324 /nfs/dbraw/zinc/83/73/24/859837324.db2.gz USQDAVUNWMNCLS-LRQRDZAKSA-N 2 2 390.474 3.822 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1OC(F)F ZINC000484130705 859840345 /nfs/dbraw/zinc/84/03/45/859840345.db2.gz MMEHKMYOYKBBOU-VFNWGFHPSA-N 2 2 394.437 3.715 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1OC(F)F ZINC000484130705 859840357 /nfs/dbraw/zinc/84/03/57/859840357.db2.gz MMEHKMYOYKBBOU-VFNWGFHPSA-N 2 2 394.437 3.715 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1OC(F)(F)F ZINC000484155018 859850712 /nfs/dbraw/zinc/85/07/12/859850712.db2.gz DNAIXSLFLUCUHE-OXJNMPFZSA-N 2 2 394.437 3.873 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OC(F)(F)F ZINC000484155018 859850727 /nfs/dbraw/zinc/85/07/27/859850727.db2.gz DNAIXSLFLUCUHE-OXJNMPFZSA-N 2 2 394.437 3.873 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OC(F)F)cc1 ZINC000484158028 859852757 /nfs/dbraw/zinc/85/27/57/859852757.db2.gz JUWVJJGQZXPEHH-SCWSEQNSSA-N 2 2 390.474 3.822 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OC(F)F)cc1 ZINC000484158028 859852762 /nfs/dbraw/zinc/85/27/62/859852762.db2.gz JUWVJJGQZXPEHH-SCWSEQNSSA-N 2 2 390.474 3.822 20 0 GHADLP Cc1c2ccc3ccccc3c2oc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602197575 859859030 /nfs/dbraw/zinc/85/90/30/859859030.db2.gz VTENDTZMTYRKEB-SFHVURJKSA-N 2 2 391.515 3.793 20 0 GHADLP Cc1c2ccc3ccccc3c2oc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602197575 859859039 /nfs/dbraw/zinc/85/90/39/859859039.db2.gz VTENDTZMTYRKEB-SFHVURJKSA-N 2 2 391.515 3.793 20 0 GHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(OCc2nccn2C)cc1 ZINC000765248254 859864760 /nfs/dbraw/zinc/86/47/60/859864760.db2.gz CWVZYYCLYBVBRU-PXNSSMCTSA-N 2 2 381.524 3.961 20 0 GHADLP CN(C)C(=O)C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccc1 ZINC000765312445 859900290 /nfs/dbraw/zinc/90/02/90/859900290.db2.gz FHIJSQQDPKHPGO-HSZRJFAPSA-N 2 2 394.563 3.531 20 0 GHADLP COc1ccc2nc(C[NH2+]CCc3[nH+]ccn3Cc3ccccc3)sc2c1 ZINC000474358409 859901303 /nfs/dbraw/zinc/90/13/03/859901303.db2.gz VRIRVROUIOSAFK-UHFFFAOYSA-N 2 2 378.501 3.882 20 0 GHADLP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000895791867 859946067 /nfs/dbraw/zinc/94/60/67/859946067.db2.gz HJCXNHNRSXWISS-ZVDOUQERSA-N 2 2 383.561 3.949 20 0 GHADLP c1nc([C@@H]2CCCO2)sc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000895791867 859946074 /nfs/dbraw/zinc/94/60/74/859946074.db2.gz HJCXNHNRSXWISS-ZVDOUQERSA-N 2 2 383.561 3.949 20 0 GHADLP c1nc([C@@H]2CCCO2)sc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000895791867 859946084 /nfs/dbraw/zinc/94/60/84/859946084.db2.gz HJCXNHNRSXWISS-ZVDOUQERSA-N 2 2 383.561 3.949 20 0 GHADLP c1nc([C@@H]2CCCO2)sc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000895791867 859946097 /nfs/dbraw/zinc/94/60/97/859946097.db2.gz HJCXNHNRSXWISS-ZVDOUQERSA-N 2 2 383.561 3.949 20 0 GHADLP CC(C)C[C@@H](C[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)[NH+](C)C ZINC000921521240 860004881 /nfs/dbraw/zinc/00/48/81/860004881.db2.gz WZUNKWGAVZIDOF-OALUTQOASA-N 2 2 397.604 3.501 20 0 GHADLP COC(=O)Cc1ccc(C[NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)cc1 ZINC001142910892 860111909 /nfs/dbraw/zinc/11/19/09/860111909.db2.gz RIJLRFBEKOFNFA-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP COC(=O)Cc1ccc(C[NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)cc1 ZINC001142910892 860111913 /nfs/dbraw/zinc/11/19/13/860111913.db2.gz RIJLRFBEKOFNFA-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000765681172 860392670 /nfs/dbraw/zinc/39/26/70/860392670.db2.gz HEGLSUAXTRMAID-DUXKGJEZSA-N 2 2 392.465 3.937 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000765681172 860392681 /nfs/dbraw/zinc/39/26/81/860392681.db2.gz HEGLSUAXTRMAID-DUXKGJEZSA-N 2 2 392.465 3.937 20 0 GHADLP [NH3+]C[C@@H](NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CCCCC1 ZINC000557014096 881534867 /nfs/dbraw/zinc/53/48/67/881534867.db2.gz UGDSECQDCRJFFS-HXUWFJFHSA-N 2 2 381.524 3.916 20 0 GHADLP C[C@H]1C[C@H](c2ccccc2)N(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000498416190 860413746 /nfs/dbraw/zinc/41/37/46/860413746.db2.gz XLYRHUPKGNBMMB-RBBKRZOGSA-N 2 2 398.595 3.729 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](C)[C@H]3CCC(C)(C)C3)n2)CC1 ZINC000428958422 860509618 /nfs/dbraw/zinc/50/96/18/860509618.db2.gz VDNQXXCBICBNPE-KRWDZBQOSA-N 2 2 378.586 3.824 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](C)[C@H]3CCC(C)(C)C3)n2)CC1 ZINC000428958422 860509627 /nfs/dbraw/zinc/50/96/27/860509627.db2.gz VDNQXXCBICBNPE-KRWDZBQOSA-N 2 2 378.586 3.824 20 0 GHADLP COC(=O)c1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n2c1CCCC2 ZINC000598676941 860511839 /nfs/dbraw/zinc/51/18/39/860511839.db2.gz UKSWCCKTYJVMNA-UHFFFAOYSA-N 2 2 396.535 3.523 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1C ZINC000598969661 860696499 /nfs/dbraw/zinc/69/64/99/860696499.db2.gz FZWZSLROJNKXAX-KRWDZBQOSA-N 2 2 384.524 3.518 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000098033588 860701469 /nfs/dbraw/zinc/70/14/69/860701469.db2.gz FMTDRMAPMYRJQN-NRFANRHFSA-N 2 2 389.503 3.509 20 0 GHADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247790068 860757380 /nfs/dbraw/zinc/75/73/80/860757380.db2.gz YZSYVUIAFYSIGS-CPUCHLNUSA-N 2 2 396.413 3.692 20 0 GHADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247790068 860757382 /nfs/dbraw/zinc/75/73/82/860757382.db2.gz YZSYVUIAFYSIGS-CPUCHLNUSA-N 2 2 396.413 3.692 20 0 GHADLP O[C@H](C[NH2+][C@H](c1cccnc1)C1CCCCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000603556495 860808796 /nfs/dbraw/zinc/80/87/96/860808796.db2.gz LOUBROBMLRGVEI-RPWUZVMVSA-N 2 2 379.548 3.712 20 0 GHADLP O[C@H](C[NH2+][C@H](c1cccnc1)C1CCCCC1)C[N@H+]1CCc2ccccc2C1 ZINC000603556495 860808801 /nfs/dbraw/zinc/80/88/01/860808801.db2.gz LOUBROBMLRGVEI-RPWUZVMVSA-N 2 2 379.548 3.712 20 0 GHADLP Cc1cc(-c2nnc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)o2)c(C)o1 ZINC000669694797 861103853 /nfs/dbraw/zinc/10/38/53/861103853.db2.gz BHXDSCPNQDCNPP-MRXNPFEDSA-N 2 2 381.480 3.859 20 0 GHADLP Cc1cc(-c2nnc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)o2)c(C)o1 ZINC000669694797 861103856 /nfs/dbraw/zinc/10/38/56/861103856.db2.gz BHXDSCPNQDCNPP-MRXNPFEDSA-N 2 2 381.480 3.859 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)n1 ZINC000600142821 861114878 /nfs/dbraw/zinc/11/48/78/861114878.db2.gz QHCBPXMQZBBIJB-QZTJIDSGSA-N 2 2 381.520 3.505 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cnc(C(F)(F)F)s3)[nH+]c2)CC1 ZINC000443983665 863096025 /nfs/dbraw/zinc/09/60/25/863096025.db2.gz DXFPTPUOCZRRKZ-UHFFFAOYSA-N 2 2 385.459 3.699 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000282633453 863265572 /nfs/dbraw/zinc/26/55/72/863265572.db2.gz DNWIDGUSOHKWGI-FQEVSTJZSA-N 2 2 395.551 3.599 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000282633453 863265581 /nfs/dbraw/zinc/26/55/81/863265581.db2.gz DNWIDGUSOHKWGI-FQEVSTJZSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000606371515 863566788 /nfs/dbraw/zinc/56/67/88/863566788.db2.gz BFXAFIAHABDEEQ-MRXNPFEDSA-N 2 2 399.501 3.683 20 0 GHADLP C[C@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000606371515 863566800 /nfs/dbraw/zinc/56/68/00/863566800.db2.gz BFXAFIAHABDEEQ-MRXNPFEDSA-N 2 2 399.501 3.683 20 0 GHADLP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000606580861 863730691 /nfs/dbraw/zinc/73/06/91/863730691.db2.gz HNRQIFPOOWVMRQ-PXNSSMCTSA-N 2 2 377.492 3.851 20 0 GHADLP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC000606580861 863730696 /nfs/dbraw/zinc/73/06/96/863730696.db2.gz HNRQIFPOOWVMRQ-PXNSSMCTSA-N 2 2 377.492 3.851 20 0 GHADLP Fc1ccccc1OC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655703196 863769239 /nfs/dbraw/zinc/76/92/39/863769239.db2.gz NGZSYPQWUPPOOQ-IRLDBZIGSA-N 2 2 384.495 3.789 20 0 GHADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000158474906 863844244 /nfs/dbraw/zinc/84/42/44/863844244.db2.gz NGEURWQORFOCGV-GOSISDBHSA-N 2 2 388.968 3.814 20 0 GHADLP CCOc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1OCc1ccccc1 ZINC000494421921 881700806 /nfs/dbraw/zinc/70/08/06/881700806.db2.gz ATQOMDGIKOHWLF-FQEVSTJZSA-N 2 2 377.488 3.965 20 0 GHADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000158488231 863847843 /nfs/dbraw/zinc/84/78/43/863847843.db2.gz JWDPCGVAFAOFQJ-CQSZACIVSA-N 2 2 379.335 3.991 20 0 GHADLP COc1ccc(F)cc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000189202892 881705352 /nfs/dbraw/zinc/70/53/52/881705352.db2.gz DKMBGVGWKDDMRH-UHFFFAOYSA-N 2 2 377.891 3.529 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2ccc(SC(F)F)cc2)([NH+]2CCCCC2)CC1 ZINC000172752336 863943608 /nfs/dbraw/zinc/94/36/08/863943608.db2.gz DQQCJHPGAZLLNK-UHFFFAOYSA-N 2 2 397.535 3.681 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccnn1CCc1ccccc1)c1ccccc1 ZINC000621338669 864092997 /nfs/dbraw/zinc/09/29/97/864092997.db2.gz HRTHOECVPJDUBI-QHCPKHFHSA-N 2 2 385.515 3.933 20 0 GHADLP O[C@H](c1ccccc1)C1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000792862509 881732720 /nfs/dbraw/zinc/73/27/20/881732720.db2.gz LLNJBKYJBHYDSI-LOSJGSFVSA-N 2 2 394.559 3.723 20 0 GHADLP O[C@H](c1ccccc1)C1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000792862509 881732729 /nfs/dbraw/zinc/73/27/29/881732729.db2.gz LLNJBKYJBHYDSI-LOSJGSFVSA-N 2 2 394.559 3.723 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cnc(-c3ccccc3)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366841 864350918 /nfs/dbraw/zinc/35/09/18/864350918.db2.gz XCYWOVOCFBDAKO-JOCHJYFZSA-N 2 2 379.529 3.537 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cnc(-c3ccccc3)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366841 864350951 /nfs/dbraw/zinc/35/09/51/864350951.db2.gz XCYWOVOCFBDAKO-JOCHJYFZSA-N 2 2 379.529 3.537 20 0 GHADLP COCCN(C)c1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cn1 ZINC000480283906 864425047 /nfs/dbraw/zinc/42/50/47/864425047.db2.gz AHHHVVMAXYBXJT-QFIPXVFZSA-N 2 2 393.535 3.509 20 0 GHADLP CCSc1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000159248143 864441986 /nfs/dbraw/zinc/44/19/86/864441986.db2.gz CVFCFWAEHFYBCG-SFHVURJKSA-N 2 2 398.576 3.583 20 0 GHADLP COc1cc2cc[nH+]c(N3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)c2cc1F ZINC000554685856 864711180 /nfs/dbraw/zinc/71/11/80/864711180.db2.gz RXMRCZMHVYHPHS-KDURUIRLSA-N 2 2 377.463 3.951 20 0 GHADLP COc1cc2cc[nH+]c(N3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)c2cc1F ZINC000554685856 864711186 /nfs/dbraw/zinc/71/11/86/864711186.db2.gz RXMRCZMHVYHPHS-KDURUIRLSA-N 2 2 377.463 3.951 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2OC2CCCC2)[C@@H](C)C1 ZINC000480756205 865234401 /nfs/dbraw/zinc/23/44/01/865234401.db2.gz OLDMBSGMBAIMGA-GHTZIAJQSA-N 2 2 375.557 3.630 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2OC2CCCC2)[C@@H](C)C1 ZINC000480756205 865234414 /nfs/dbraw/zinc/23/44/14/865234414.db2.gz OLDMBSGMBAIMGA-GHTZIAJQSA-N 2 2 375.557 3.630 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000301263115 865252374 /nfs/dbraw/zinc/25/23/74/865252374.db2.gz PCEJOWPNGSWDSS-UHFFFAOYSA-N 2 2 379.552 3.815 20 0 GHADLP C[N@H+](Cc1ccccc1)CC1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000301263115 865252388 /nfs/dbraw/zinc/25/23/88/865252388.db2.gz PCEJOWPNGSWDSS-UHFFFAOYSA-N 2 2 379.552 3.815 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000301263115 865252402 /nfs/dbraw/zinc/25/24/02/865252402.db2.gz PCEJOWPNGSWDSS-UHFFFAOYSA-N 2 2 379.552 3.815 20 0 GHADLP C[N@H+](Cc1ccccc1)CC1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000301263115 865252418 /nfs/dbraw/zinc/25/24/18/865252418.db2.gz PCEJOWPNGSWDSS-UHFFFAOYSA-N 2 2 379.552 3.815 20 0 GHADLP c1ccc(C[NH+]2CCCCC2)c(CNc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000301357311 865309540 /nfs/dbraw/zinc/30/95/40/865309540.db2.gz OZLLQGWNIOQFNX-UHFFFAOYSA-N 2 2 383.565 3.628 20 0 GHADLP c1ccc(C[NH+]2CCCCC2)c(CNc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000301357311 865309555 /nfs/dbraw/zinc/30/95/55/865309555.db2.gz OZLLQGWNIOQFNX-UHFFFAOYSA-N 2 2 383.565 3.628 20 0 GHADLP CN(C)C(=O)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1ccccc1 ZINC000172090149 865485225 /nfs/dbraw/zinc/48/52/25/865485225.db2.gz PVUVLQNQZKUUNB-HSZRJFAPSA-N 2 2 379.548 3.982 20 0 GHADLP C[NH+](C)Cc1ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1Cl ZINC000555095402 865516093 /nfs/dbraw/zinc/51/60/93/865516093.db2.gz XALCZVAZLQZRHV-UHFFFAOYSA-N 2 2 382.895 3.828 20 0 GHADLP CC[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CCCCC1 ZINC000608663565 865568681 /nfs/dbraw/zinc/56/86/81/865568681.db2.gz RDYCCWQGVQVGMO-FQEVSTJZSA-N 2 2 378.605 3.595 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000301900891 865596989 /nfs/dbraw/zinc/59/69/89/865596989.db2.gz VCUBIAPFUCPLOS-UHFFFAOYSA-N 2 2 392.551 3.930 20 0 GHADLP C[N@H+](Cc1ccccc1)CC1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000301900891 865596993 /nfs/dbraw/zinc/59/69/93/865596993.db2.gz VCUBIAPFUCPLOS-UHFFFAOYSA-N 2 2 392.551 3.930 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000481027949 865704838 /nfs/dbraw/zinc/70/48/38/865704838.db2.gz XGEZQACKAHFDJO-XHDPSFHLSA-N 2 2 384.364 3.832 20 0 GHADLP Cn1c[nH+]cc1CCNc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000302122462 865722778 /nfs/dbraw/zinc/72/27/78/865722778.db2.gz GTOYWXKZAZRHQG-UHFFFAOYSA-N 2 2 392.532 3.808 20 0 GHADLP Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481166169 865906933 /nfs/dbraw/zinc/90/69/33/865906933.db2.gz CJONPMBOTYICOZ-DPLHUUCSSA-N 2 2 393.575 3.542 20 0 GHADLP Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481166169 865906938 /nfs/dbraw/zinc/90/69/38/865906938.db2.gz CJONPMBOTYICOZ-DPLHUUCSSA-N 2 2 393.575 3.542 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1c2ccccc2CC[C@H]1C ZINC000481175109 865925129 /nfs/dbraw/zinc/92/51/29/865925129.db2.gz LUVWNKCUOGXMCX-VIZSFHNOSA-N 2 2 391.559 3.855 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1c2ccccc2CC[C@H]1C ZINC000481175109 865925137 /nfs/dbraw/zinc/92/51/37/865925137.db2.gz LUVWNKCUOGXMCX-VIZSFHNOSA-N 2 2 391.559 3.855 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(F)c(F)c1 ZINC000481179885 865938392 /nfs/dbraw/zinc/93/83/92/865938392.db2.gz VTHZSLGDFYRDDI-XFQAVAEZSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(F)c(F)c1 ZINC000481179885 865938396 /nfs/dbraw/zinc/93/83/96/865938396.db2.gz VTHZSLGDFYRDDI-XFQAVAEZSA-N 2 2 387.474 3.792 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481190447 865970991 /nfs/dbraw/zinc/97/09/91/865970991.db2.gz ORNLUAKCKQLFRC-SVFBPWRDSA-N 2 2 395.547 3.913 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481190447 865970997 /nfs/dbraw/zinc/97/09/97/865970997.db2.gz ORNLUAKCKQLFRC-SVFBPWRDSA-N 2 2 395.547 3.913 20 0 GHADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444411305 866083814 /nfs/dbraw/zinc/08/38/14/866083814.db2.gz LYONZLAYZLNQCU-FQEVSTJZSA-N 2 2 395.551 3.502 20 0 GHADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444411305 866083830 /nfs/dbraw/zinc/08/38/30/866083830.db2.gz LYONZLAYZLNQCU-FQEVSTJZSA-N 2 2 395.551 3.502 20 0 GHADLP CC(C)c1cc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n2ncnc2n1 ZINC000737414123 866226937 /nfs/dbraw/zinc/22/69/37/866226937.db2.gz RGYISYLYHOLTTI-UHFFFAOYSA-N 2 2 393.539 3.769 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc(CC[N@H+](C)C3CC3)c1)C2 ZINC000476558336 881956498 /nfs/dbraw/zinc/95/64/98/881956498.db2.gz GSLZTMMDULDHJF-QGZVFWFLSA-N 2 2 380.536 3.913 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc(CC[N@@H+](C)C3CC3)c1)C2 ZINC000476558336 881956501 /nfs/dbraw/zinc/95/65/01/881956501.db2.gz GSLZTMMDULDHJF-QGZVFWFLSA-N 2 2 380.536 3.913 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc(CC[N@H+](C)C3CC3)c1)CC2 ZINC000476558336 881956516 /nfs/dbraw/zinc/95/65/16/881956516.db2.gz GSLZTMMDULDHJF-QGZVFWFLSA-N 2 2 380.536 3.913 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc(CC[N@@H+](C)C3CC3)c1)CC2 ZINC000476558336 881956529 /nfs/dbraw/zinc/95/65/29/881956529.db2.gz GSLZTMMDULDHJF-QGZVFWFLSA-N 2 2 380.536 3.913 20 0 GHADLP C[C@@H]1CCCC[C@@H]1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360935 866647395 /nfs/dbraw/zinc/64/73/95/866647395.db2.gz RQBRATWLFCPMEO-CZAYHTPWSA-N 2 2 377.617 3.998 20 0 GHADLP C[C@@H]1CCCC[C@@H]1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360935 866647401 /nfs/dbraw/zinc/64/74/01/866647401.db2.gz RQBRATWLFCPMEO-CZAYHTPWSA-N 2 2 377.617 3.998 20 0 GHADLP CCCC1(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000534385542 866661355 /nfs/dbraw/zinc/66/13/55/866661355.db2.gz WJVJUUSADNNLIT-SFTDATJTSA-N 2 2 392.632 3.935 20 0 GHADLP CCCC1(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000534385542 866661364 /nfs/dbraw/zinc/66/13/64/866661364.db2.gz WJVJUUSADNNLIT-SFTDATJTSA-N 2 2 392.632 3.935 20 0 GHADLP C[N@H+](Cc1ccccc1CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCCCC1 ZINC000553039397 866680387 /nfs/dbraw/zinc/68/03/87/866680387.db2.gz OECAKFUDAGNXTR-FQEVSTJZSA-N 2 2 380.536 3.526 20 0 GHADLP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCCCC1 ZINC000553039397 866680392 /nfs/dbraw/zinc/68/03/92/866680392.db2.gz OECAKFUDAGNXTR-FQEVSTJZSA-N 2 2 380.536 3.526 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)o1 ZINC000620533980 866829727 /nfs/dbraw/zinc/82/97/27/866829727.db2.gz WVKJUXDHEPVPGJ-UHFFFAOYSA-N 2 2 382.464 3.649 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1)C(C)C ZINC000153750464 867058047 /nfs/dbraw/zinc/05/80/47/867058047.db2.gz WARXBPCVWWUREC-UHFFFAOYSA-N 2 2 380.536 3.842 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1)C(C)C ZINC000153750464 867058058 /nfs/dbraw/zinc/05/80/58/867058058.db2.gz WARXBPCVWWUREC-UHFFFAOYSA-N 2 2 380.536 3.842 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000456737885 867083480 /nfs/dbraw/zinc/08/34/80/867083480.db2.gz XMSZNONOTNDVJK-UHFFFAOYSA-N 2 2 382.552 3.904 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000154818360 867615865 /nfs/dbraw/zinc/61/58/65/867615865.db2.gz OOPSWMMBRWXFIB-OAHLLOKOSA-N 2 2 376.932 3.596 20 0 GHADLP c1ccc2c(c1)SCC[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155158250 867776258 /nfs/dbraw/zinc/77/62/58/867776258.db2.gz LVZLERQCTUGZCP-NRFANRHFSA-N 2 2 384.545 3.724 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1)c1ccccc1Cl ZINC000553964503 868509970 /nfs/dbraw/zinc/50/99/70/868509970.db2.gz HMZRUZPQEJHNAS-RTWAWAEBSA-N 2 2 385.939 3.554 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1Cl ZINC000553964497 868509992 /nfs/dbraw/zinc/50/99/92/868509992.db2.gz HMZRUZPQEJHNAS-LEWJYISDSA-N 2 2 385.939 3.554 20 0 GHADLP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000766305969 868725872 /nfs/dbraw/zinc/72/58/72/868725872.db2.gz SSHUMXREWWDFRV-CRAIPNDOSA-N 2 2 397.910 3.759 20 0 GHADLP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000766305975 868727116 /nfs/dbraw/zinc/72/71/16/868727116.db2.gz SSHUMXREWWDFRV-YJBOKZPZSA-N 2 2 397.910 3.759 20 0 GHADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000554123640 868787859 /nfs/dbraw/zinc/78/78/59/868787859.db2.gz NZZNGYOFBKATQE-ZJSXRUAMSA-N 2 2 391.559 3.774 20 0 GHADLP CC(=O)N(c1nc(C[NH+]2CCC(C[NH+](C)C)CC2)cs1)c1ccccc1F ZINC000524370486 868997692 /nfs/dbraw/zinc/99/76/92/868997692.db2.gz NBAJXAXZPPVUQC-UHFFFAOYSA-N 2 2 390.528 3.740 20 0 GHADLP Ic1ccccc1[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000539450220 869156441 /nfs/dbraw/zinc/15/64/41/869156441.db2.gz KRJIBTYDVGTLHH-MRXNPFEDSA-N 2 2 381.261 3.715 20 0 GHADLP Ic1ccccc1[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000539450220 869156450 /nfs/dbraw/zinc/15/64/50/869156450.db2.gz KRJIBTYDVGTLHH-MRXNPFEDSA-N 2 2 381.261 3.715 20 0 GHADLP C[C@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000525061458 869962889 /nfs/dbraw/zinc/96/28/89/869962889.db2.gz HNQFNKDJOYFKMN-MRXNPFEDSA-N 2 2 399.501 3.683 20 0 GHADLP C[C@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000525061458 869962895 /nfs/dbraw/zinc/96/28/95/869962895.db2.gz HNQFNKDJOYFKMN-MRXNPFEDSA-N 2 2 399.501 3.683 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)CC2)c1 ZINC000462793606 870094455 /nfs/dbraw/zinc/09/44/55/870094455.db2.gz STJVTRMFVZPFBO-YTFSRNRJSA-N 2 2 385.596 3.692 20 0 GHADLP Cc1cc(C)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C=O ZINC000793725433 882377330 /nfs/dbraw/zinc/37/73/30/882377330.db2.gz GQRWYOMWKFSDNB-DHIUTWEWSA-N 2 2 399.579 3.525 20 0 GHADLP Cc1cc(C)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C=O ZINC000793725433 882377345 /nfs/dbraw/zinc/37/73/45/882377345.db2.gz GQRWYOMWKFSDNB-DHIUTWEWSA-N 2 2 399.579 3.525 20 0 GHADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cc2cccc(F)c2o1 ZINC000475706507 882415089 /nfs/dbraw/zinc/41/50/89/882415089.db2.gz XGHFBYGLUIYEPK-KRWDZBQOSA-N 2 2 395.478 3.567 20 0 GHADLP C[NH+](C)C[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000552026060 870907017 /nfs/dbraw/zinc/90/70/17/870907017.db2.gz XGMCWUKQBMZNOK-HXUWFJFHSA-N 2 2 396.922 3.660 20 0 GHADLP OCC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1cccs1 ZINC001193236858 870964143 /nfs/dbraw/zinc/96/41/43/870964143.db2.gz AYRRKVOKTWDBEU-LJQANCHMSA-N 2 2 393.984 3.627 20 0 GHADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000461796063 870972011 /nfs/dbraw/zinc/97/20/11/870972011.db2.gz NDFDSRHKWBWQML-WMQCIHAUSA-N 2 2 383.540 3.531 20 0 GHADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000461796063 870972016 /nfs/dbraw/zinc/97/20/16/870972016.db2.gz NDFDSRHKWBWQML-WMQCIHAUSA-N 2 2 383.540 3.531 20 0 GHADLP COc1cc2c(cc1C[NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)O[C@H](C)C2 ZINC000463141385 870993751 /nfs/dbraw/zinc/99/37/51/870993751.db2.gz JYBOEDIYIUHSNC-QGZVFWFLSA-N 2 2 398.522 3.954 20 0 GHADLP Cc1ccc2c(C[N@@H+](C)C3CC[NH+](CCc4ccccn4)CC3)ccc(O)c2n1 ZINC000429703754 871054828 /nfs/dbraw/zinc/05/48/28/871054828.db2.gz NXAAEMAYROKFTG-UHFFFAOYSA-N 2 2 390.531 3.783 20 0 GHADLP Cc1ccc2c(C[N@H+](C)C3CC[NH+](CCc4ccccn4)CC3)ccc(O)c2n1 ZINC000429703754 871054852 /nfs/dbraw/zinc/05/48/52/871054852.db2.gz NXAAEMAYROKFTG-UHFFFAOYSA-N 2 2 390.531 3.783 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CN1Cc1ccccc1 ZINC000463191690 871098599 /nfs/dbraw/zinc/09/85/99/871098599.db2.gz NKXBCQQAHLWYCQ-BWKNWUBXSA-N 2 2 377.576 3.946 20 0 GHADLP O=C1[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccccc1 ZINC000793920172 882486485 /nfs/dbraw/zinc/48/64/85/882486485.db2.gz DVXOOBSVSMMUDO-DNRMFDCTSA-N 2 2 389.543 3.967 20 0 GHADLP O=C1[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccccc1 ZINC000793920172 882486491 /nfs/dbraw/zinc/48/64/91/882486491.db2.gz DVXOOBSVSMMUDO-DNRMFDCTSA-N 2 2 389.543 3.967 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(F)c1 ZINC001193663220 871221864 /nfs/dbraw/zinc/22/18/64/871221864.db2.gz QGHUNKMHBVOFEN-QRWLVFNGSA-N 2 2 389.902 3.918 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(F)c1 ZINC001193663220 871221882 /nfs/dbraw/zinc/22/18/82/871221882.db2.gz QGHUNKMHBVOFEN-QRWLVFNGSA-N 2 2 389.902 3.918 20 0 GHADLP CC(C)[C@H](C[NH2+]C1CCN(c2nccs2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000539092768 871294804 /nfs/dbraw/zinc/29/48/04/871294804.db2.gz GXRRKRZKJIFMKZ-NRFANRHFSA-N 2 2 384.593 3.784 20 0 GHADLP CC(C)[C@H](C[NH2+]C1CCN(c2nccs2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000539092768 871294823 /nfs/dbraw/zinc/29/48/23/871294823.db2.gz GXRRKRZKJIFMKZ-NRFANRHFSA-N 2 2 384.593 3.784 20 0 GHADLP Fc1ccc([C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C2CC2)cc1 ZINC000539200768 871488989 /nfs/dbraw/zinc/48/89/89/871488989.db2.gz YIJPVXMWWRHFIZ-HSZRJFAPSA-N 2 2 384.495 3.778 20 0 GHADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001169432492 871524136 /nfs/dbraw/zinc/52/41/36/871524136.db2.gz LXWSCRBHEOWXAD-INIZCTEOSA-N 2 2 399.501 3.906 20 0 GHADLP Cc1[nH]c2ccc(N[C@H]3C[C@@H](C(=O)OCc4ccccc4)CCC[NH2+]3)cc2[nH+]1 ZINC001169519170 871592074 /nfs/dbraw/zinc/59/20/74/871592074.db2.gz NITVCNQKCUPFSA-UWJYYQICSA-N 2 2 378.476 3.742 20 0 GHADLP Cn1ccc([C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c2ccc(F)cc2)n1 ZINC000539376517 871854770 /nfs/dbraw/zinc/85/47/70/871854770.db2.gz HYCSVNRTDUCWKK-QHCPKHFHSA-N 2 2 396.510 3.769 20 0 GHADLP Cc1c([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)nnn1-c1ccc(F)cc1 ZINC000122353895 882557391 /nfs/dbraw/zinc/55/73/91/882557391.db2.gz WTJCMSBRQWPXQY-MRXNPFEDSA-N 2 2 397.498 3.506 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(C(=O)NCC(C)C)c2)CC1 ZINC000429723062 872014031 /nfs/dbraw/zinc/01/40/31/872014031.db2.gz UKFPHGCNNOKZCR-UHFFFAOYSA-N 2 2 381.520 3.819 20 0 GHADLP FC(F)(F)c1ccc(Cn2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cn2)cc1 ZINC000494600619 882577400 /nfs/dbraw/zinc/57/74/00/882577400.db2.gz ISSHCKCQEVZVDN-UHFFFAOYSA-N 2 2 392.469 3.914 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540778662 872142855 /nfs/dbraw/zinc/14/28/55/872142855.db2.gz NMOCIAYQPKAQTE-LEWJYISDSA-N 2 2 397.966 3.703 20 0 GHADLP Cc1cc2ncc([C@@H](C)[NH2+]C3CC[NH+](Cc4ccccc4C)CC3)c(C)n2n1 ZINC000093399040 872149597 /nfs/dbraw/zinc/14/95/97/872149597.db2.gz IIQCKAHXYVGTAN-GOSISDBHSA-N 2 2 377.536 3.970 20 0 GHADLP CC(C)C(CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000447821773 872322193 /nfs/dbraw/zinc/32/21/93/872322193.db2.gz MPBLVQVNCYNIJR-FCHUYYIVSA-N 2 2 394.648 3.893 20 0 GHADLP CC(C)C(CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000447821773 872322204 /nfs/dbraw/zinc/32/22/04/872322204.db2.gz MPBLVQVNCYNIJR-FCHUYYIVSA-N 2 2 394.648 3.893 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1 ZINC000478045167 872411249 /nfs/dbraw/zinc/41/12/49/872411249.db2.gz FJXSPCAMFSIHHK-INIZCTEOSA-N 2 2 378.948 3.650 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1 ZINC000478045167 872411262 /nfs/dbraw/zinc/41/12/62/872411262.db2.gz FJXSPCAMFSIHHK-INIZCTEOSA-N 2 2 378.948 3.650 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[C@@H]1c1ccccc1 ZINC000541186493 873114518 /nfs/dbraw/zinc/11/45/18/873114518.db2.gz CQELJKSFCYBLTE-YADHBBJMSA-N 2 2 395.551 3.530 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[C@@H]1c1ccccc1 ZINC000541186493 873114522 /nfs/dbraw/zinc/11/45/22/873114522.db2.gz CQELJKSFCYBLTE-YADHBBJMSA-N 2 2 395.551 3.530 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000448260147 873137503 /nfs/dbraw/zinc/13/75/03/873137503.db2.gz JQDAXBFNKKNIDX-ACRUOGEOSA-N 2 2 395.551 3.531 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000448260147 873137512 /nfs/dbraw/zinc/13/75/12/873137512.db2.gz JQDAXBFNKKNIDX-ACRUOGEOSA-N 2 2 395.551 3.531 20 0 GHADLP C[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000102765339 873571468 /nfs/dbraw/zinc/57/14/68/873571468.db2.gz CRXNGKVXQHPIER-GOSISDBHSA-N 2 2 399.604 3.836 20 0 GHADLP C[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000102765339 873571472 /nfs/dbraw/zinc/57/14/72/873571472.db2.gz CRXNGKVXQHPIER-GOSISDBHSA-N 2 2 399.604 3.836 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(-c3ccccc3)n(C)n2)[C@H](C)C1 ZINC000527861376 873686195 /nfs/dbraw/zinc/68/61/95/873686195.db2.gz CUICPWKDQBIWLV-SBHAEUEKSA-N 2 2 384.568 3.875 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(-c3ccccc3)n(C)n2)[C@H](C)C1 ZINC000527861376 873686204 /nfs/dbraw/zinc/68/62/04/873686204.db2.gz CUICPWKDQBIWLV-SBHAEUEKSA-N 2 2 384.568 3.875 20 0 GHADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1CCC(=O)Nc2ccccc21)c1ccccc1 ZINC000541543466 873801851 /nfs/dbraw/zinc/80/18/51/873801851.db2.gz JVFVFNYUYYYQEU-IRLDBZIGSA-N 2 2 381.520 3.759 20 0 GHADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1CCC(=O)Nc2ccccc21)c1ccccc1 ZINC000541543466 873801861 /nfs/dbraw/zinc/80/18/61/873801861.db2.gz JVFVFNYUYYYQEU-IRLDBZIGSA-N 2 2 381.520 3.759 20 0 GHADLP CCc1ccc([C@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)[NH+](C)C)cc1 ZINC000921245027 882770285 /nfs/dbraw/zinc/77/02/85/882770285.db2.gz ZPAHXBBNDBHHAK-QFIPXVFZSA-N 2 2 391.519 3.537 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3F)C2)cc1 ZINC001198019463 874169989 /nfs/dbraw/zinc/16/99/89/874169989.db2.gz VVNYNQIJNWRPDG-OAQYLSRUSA-N 2 2 397.538 3.839 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3F)C2)cc1 ZINC001198019463 874169993 /nfs/dbraw/zinc/16/99/93/874169993.db2.gz VVNYNQIJNWRPDG-OAQYLSRUSA-N 2 2 397.538 3.839 20 0 GHADLP Cc1c2ccc(NC(=O)c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)cc2nn1C ZINC001198021537 874184273 /nfs/dbraw/zinc/18/42/73/874184273.db2.gz LLGBIEAUOAHBPB-UHFFFAOYSA-N 2 2 393.535 3.518 20 0 GHADLP Cc1c2ccc(NC(=O)c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)cc2nn1C ZINC001198021537 874184277 /nfs/dbraw/zinc/18/42/77/874184277.db2.gz LLGBIEAUOAHBPB-UHFFFAOYSA-N 2 2 393.535 3.518 20 0 GHADLP Cc1ccc(CCNC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)c(C)c1 ZINC001198031391 874190166 /nfs/dbraw/zinc/19/01/66/874190166.db2.gz TUSYVKCJHZXRLX-UHFFFAOYSA-N 2 2 381.564 3.659 20 0 GHADLP Cc1ccc(CCNC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)c(C)c1 ZINC001198031391 874190171 /nfs/dbraw/zinc/19/01/71/874190171.db2.gz TUSYVKCJHZXRLX-UHFFFAOYSA-N 2 2 381.564 3.659 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H](c3ccccc3)c3cncnc3)c2)CCO1 ZINC000541741447 874202139 /nfs/dbraw/zinc/20/21/39/874202139.db2.gz JOVDOSNDNPGZRB-NTKDMRAZSA-N 2 2 388.515 3.577 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H](c3ccccc3)c3cncnc3)c2)CCO1 ZINC000541741447 874202152 /nfs/dbraw/zinc/20/21/52/874202152.db2.gz JOVDOSNDNPGZRB-NTKDMRAZSA-N 2 2 388.515 3.577 20 0 GHADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc(-c4cccs4)no3)CC2)C[C@H](C)O1 ZINC000177506221 882809011 /nfs/dbraw/zinc/80/90/11/882809011.db2.gz ITMRPRKAEDKVDU-IYBDPMFKSA-N 2 2 390.553 3.509 20 0 GHADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc(-c4cccs4)no3)CC2)C[C@H](C)O1 ZINC000177506221 882809031 /nfs/dbraw/zinc/80/90/31/882809031.db2.gz ITMRPRKAEDKVDU-IYBDPMFKSA-N 2 2 390.553 3.509 20 0 GHADLP CC[N@@H+](CC(=O)N1c2ccccc2C[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804187 874513964 /nfs/dbraw/zinc/51/39/64/874513964.db2.gz DABKQIHPMYCSMF-LJQANCHMSA-N 2 2 392.547 3.598 20 0 GHADLP CC[N@H+](CC(=O)N1c2ccccc2C[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804187 874513975 /nfs/dbraw/zinc/51/39/75/874513975.db2.gz DABKQIHPMYCSMF-LJQANCHMSA-N 2 2 392.547 3.598 20 0 GHADLP CC[N@H+](C[C@@H](O)COc1ccc(C)cc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810037 874532162 /nfs/dbraw/zinc/53/21/62/874532162.db2.gz NVOQRHBWTXLUMX-JOCHJYFZSA-N 2 2 397.563 3.677 20 0 GHADLP CC[N@@H+](C[C@@H](O)COc1ccc(C)cc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810037 874532165 /nfs/dbraw/zinc/53/21/65/874532165.db2.gz NVOQRHBWTXLUMX-JOCHJYFZSA-N 2 2 397.563 3.677 20 0 GHADLP COC1CCN(C(C)(C)C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449158196 874545266 /nfs/dbraw/zinc/54/52/66/874545266.db2.gz XYNIYNFBKDAVIW-HXUWFJFHSA-N 2 2 387.612 3.561 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCc4cc(F)c(F)c(F)c43)[nH+]c2)C1 ZINC000449207112 874586960 /nfs/dbraw/zinc/58/69/60/874586960.db2.gz MUDFHJJVWLATHM-GOEBONIOSA-N 2 2 376.426 3.739 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000770372774 874612773 /nfs/dbraw/zinc/61/27/73/874612773.db2.gz GGKQKVWUFPJLSC-IEBWSBKVSA-N 2 2 386.540 3.877 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000770372774 874612777 /nfs/dbraw/zinc/61/27/77/874612777.db2.gz GGKQKVWUFPJLSC-IEBWSBKVSA-N 2 2 386.540 3.877 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000770372774 874612780 /nfs/dbraw/zinc/61/27/80/874612780.db2.gz GGKQKVWUFPJLSC-IEBWSBKVSA-N 2 2 386.540 3.877 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000770372774 874612782 /nfs/dbraw/zinc/61/27/82/874612782.db2.gz GGKQKVWUFPJLSC-IEBWSBKVSA-N 2 2 386.540 3.877 20 0 GHADLP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000528487522 874647277 /nfs/dbraw/zinc/64/72/77/874647277.db2.gz RHVGUBIBSFSSAX-UYAOXDASSA-N 2 2 391.556 3.602 20 0 GHADLP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000528487522 874647283 /nfs/dbraw/zinc/64/72/83/874647283.db2.gz RHVGUBIBSFSSAX-UYAOXDASSA-N 2 2 391.556 3.602 20 0 GHADLP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000528487522 874647290 /nfs/dbraw/zinc/64/72/90/874647290.db2.gz RHVGUBIBSFSSAX-UYAOXDASSA-N 2 2 391.556 3.602 20 0 GHADLP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000528487522 874647297 /nfs/dbraw/zinc/64/72/97/874647297.db2.gz RHVGUBIBSFSSAX-UYAOXDASSA-N 2 2 391.556 3.602 20 0 GHADLP C[C@H](C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1cc(F)cc(F)c1 ZINC000449318354 874724187 /nfs/dbraw/zinc/72/41/87/874724187.db2.gz CRLVRYQHHDQLTA-NTKDMRAZSA-N 2 2 399.529 3.960 20 0 GHADLP C[C@H](C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1cc(F)cc(F)c1 ZINC000449318354 874724195 /nfs/dbraw/zinc/72/41/95/874724195.db2.gz CRLVRYQHHDQLTA-NTKDMRAZSA-N 2 2 399.529 3.960 20 0 GHADLP COc1nc(Cl)c(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)n1C ZINC001199308907 874903809 /nfs/dbraw/zinc/90/38/09/874903809.db2.gz AWUJNNCXWAOQCT-HOTGVXAUSA-N 2 2 390.959 3.850 20 0 GHADLP CCSc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000449502887 874965492 /nfs/dbraw/zinc/96/54/92/874965492.db2.gz PDTZCWFBKJKDKG-NRFANRHFSA-N 2 2 389.609 3.565 20 0 GHADLP CCSc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000449502887 874965499 /nfs/dbraw/zinc/96/54/99/874965499.db2.gz PDTZCWFBKJKDKG-NRFANRHFSA-N 2 2 389.609 3.565 20 0 GHADLP CCSc1cccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000449502887 874965506 /nfs/dbraw/zinc/96/55/06/874965506.db2.gz PDTZCWFBKJKDKG-NRFANRHFSA-N 2 2 389.609 3.565 20 0 GHADLP CCSc1cccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000449502887 874965516 /nfs/dbraw/zinc/96/55/16/874965516.db2.gz PDTZCWFBKJKDKG-NRFANRHFSA-N 2 2 389.609 3.565 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)Cc3ccc(O)cc3)CC2)cc1 ZINC000449521263 874993848 /nfs/dbraw/zinc/99/38/48/874993848.db2.gz GFZQVJNSPDEOHS-KRWDZBQOSA-N 2 2 381.520 3.536 20 0 GHADLP C[C@H](C(=O)N1CCSc2ccccc21)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542132164 875031149 /nfs/dbraw/zinc/03/11/49/875031149.db2.gz MTPUHSNULZCURG-GOSISDBHSA-N 2 2 398.576 3.903 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)CC(F)(F)F ZINC001199609155 875076078 /nfs/dbraw/zinc/07/60/78/875076078.db2.gz RSRTVGYZFAKUSL-KBPBESRZSA-N 2 2 392.466 3.733 20 0 GHADLP CN(C(=O)CC1(c2ccccc2)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000528896890 875237332 /nfs/dbraw/zinc/23/73/32/875237332.db2.gz SGDXJZWVIKVLRO-PKTZIBPZSA-N 2 2 397.607 3.904 20 0 GHADLP CN(C(=O)CC1(c2ccccc2)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000528896890 875237342 /nfs/dbraw/zinc/23/73/42/875237342.db2.gz SGDXJZWVIKVLRO-PKTZIBPZSA-N 2 2 397.607 3.904 20 0 GHADLP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000529056879 875517838 /nfs/dbraw/zinc/51/78/38/875517838.db2.gz ASBWUJJVROPXGA-HXUWFJFHSA-N 2 2 386.927 3.673 20 0 GHADLP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000529056879 875517847 /nfs/dbraw/zinc/51/78/47/875517847.db2.gz ASBWUJJVROPXGA-HXUWFJFHSA-N 2 2 386.927 3.673 20 0 GHADLP C[NH+](C)Cc1ccc(CNc2cccc(-n3cc[nH+]c3)c2)c2c1OC(F)(F)O2 ZINC001201358151 875638512 /nfs/dbraw/zinc/63/85/12/875638512.db2.gz XRVFNORTENFMEX-UHFFFAOYSA-N 2 2 386.402 3.868 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2ccccc2Cl)([NH+]2CCCCC2)CC1 ZINC000172750115 875898203 /nfs/dbraw/zinc/89/82/03/875898203.db2.gz BKYGPFKLMSMWNM-OALUTQOASA-N 2 2 389.971 3.510 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+][C@@H](Cc3[nH+]ccn3C)c3ccccc3)cc12 ZINC000776220375 875907717 /nfs/dbraw/zinc/90/77/17/875907717.db2.gz XBKDHEREOGQJGW-SFHVURJKSA-N 2 2 394.910 3.737 20 0 GHADLP COc1cccc(C2([NH2+]Cc3ccc(C[NH+](C)C)c4c3OC(F)(F)O4)CC2)c1 ZINC001202365454 876164386 /nfs/dbraw/zinc/16/43/86/876164386.db2.gz CYUHQXCFTRMNQU-UHFFFAOYSA-N 2 2 390.430 3.857 20 0 GHADLP Cc1ccc(NC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(N(C)C)[nH+]1 ZINC001202394716 876197765 /nfs/dbraw/zinc/19/77/65/876197765.db2.gz FZZBSRMCTSNUNA-AZUAARDMSA-N 2 2 395.551 3.878 20 0 GHADLP Cc1ccc(NC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(N(C)C)[nH+]1 ZINC001202394716 876197771 /nfs/dbraw/zinc/19/77/71/876197771.db2.gz FZZBSRMCTSNUNA-AZUAARDMSA-N 2 2 395.551 3.878 20 0 GHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccccc1)c1cccc2ccccc21 ZINC000492197632 876389701 /nfs/dbraw/zinc/38/97/01/876389701.db2.gz RTGWVZLFMVJSTP-DNQXCXABSA-N 2 2 387.527 3.859 20 0 GHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccccc1)c1cccc2ccccc21 ZINC000492197632 876389716 /nfs/dbraw/zinc/38/97/16/876389716.db2.gz RTGWVZLFMVJSTP-DNQXCXABSA-N 2 2 387.527 3.859 20 0 GHADLP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000108428259 876467061 /nfs/dbraw/zinc/46/70/61/876467061.db2.gz CLLVRLCNYHTIDK-INIZCTEOSA-N 2 2 381.351 3.978 20 0 GHADLP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000108428259 876467066 /nfs/dbraw/zinc/46/70/66/876467066.db2.gz CLLVRLCNYHTIDK-INIZCTEOSA-N 2 2 381.351 3.978 20 0 GHADLP CC(C)[C@@H](CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)NC(=O)OC(C)(C)C ZINC000850404219 876884349 /nfs/dbraw/zinc/88/43/49/876884349.db2.gz AWROEOVZNAIHPM-QGZVFWFLSA-N 2 2 378.542 3.963 20 0 GHADLP C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1cccc(OCC[NH+](C)C)c1 ZINC000530366174 877638207 /nfs/dbraw/zinc/63/82/07/877638207.db2.gz ZKQQNYHKZYWOBF-CEXWTWQISA-N 2 2 398.551 3.809 20 0 GHADLP COc1ccc([C@H]2CC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699846 877667120 /nfs/dbraw/zinc/66/71/20/877667120.db2.gz MSVYRZACCYRPAP-UPVQGACJSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccc([C@H]2CC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699846 877667124 /nfs/dbraw/zinc/66/71/24/877667124.db2.gz MSVYRZACCYRPAP-UPVQGACJSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccc([C@H]2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699846 877667127 /nfs/dbraw/zinc/66/71/27/877667127.db2.gz MSVYRZACCYRPAP-UPVQGACJSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccc([C@H]2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699846 877667133 /nfs/dbraw/zinc/66/71/33/877667133.db2.gz MSVYRZACCYRPAP-UPVQGACJSA-N 2 2 380.532 3.776 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477606923 877922522 /nfs/dbraw/zinc/92/25/22/877922522.db2.gz JQUVKJKUKOLRMC-DOPJRALCSA-N 2 2 383.939 3.897 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477606923 877922529 /nfs/dbraw/zinc/92/25/29/877922529.db2.gz JQUVKJKUKOLRMC-DOPJRALCSA-N 2 2 383.939 3.897 20 0 GHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@@H]2COC(C)(C)O2)CC1 ZINC000851862610 877945419 /nfs/dbraw/zinc/94/54/19/877945419.db2.gz CCFWWXRKIDWTFR-GOSISDBHSA-N 2 2 386.458 3.753 20 0 GHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@@H]2COC(C)(C)O2)CC1 ZINC000851862610 877945430 /nfs/dbraw/zinc/94/54/30/877945430.db2.gz CCFWWXRKIDWTFR-GOSISDBHSA-N 2 2 386.458 3.753 20 0 GHADLP C[NH+](C)Cc1nc(CSCCNc2ncccc2C[NH+]2CCCC2)cs1 ZINC001157339877 877986938 /nfs/dbraw/zinc/98/69/38/877986938.db2.gz LSGSHSCCCOFHCP-UHFFFAOYSA-N 2 2 391.610 3.541 20 0 GHADLP FC(F)Sc1nc2ccccc2n1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788381405 878044280 /nfs/dbraw/zinc/04/42/80/878044280.db2.gz VPHMMMHCTGPEAB-CQSZACIVSA-N 2 2 376.432 3.857 20 0 GHADLP FC(F)Sc1nc2ccccc2n1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788381405 878044294 /nfs/dbraw/zinc/04/42/94/878044294.db2.gz VPHMMMHCTGPEAB-CQSZACIVSA-N 2 2 376.432 3.857 20 0 GHADLP C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000176105889 878081577 /nfs/dbraw/zinc/08/15/77/878081577.db2.gz HOFWHVYELZGWIX-IRLDBZIGSA-N 2 2 398.595 3.524 20 0 GHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000245596122 878167507 /nfs/dbraw/zinc/16/75/07/878167507.db2.gz LNHOMXUXNMYKEK-COPCDDAFSA-N 2 2 396.535 3.528 20 0 GHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000245596122 878167510 /nfs/dbraw/zinc/16/75/10/878167510.db2.gz LNHOMXUXNMYKEK-COPCDDAFSA-N 2 2 396.535 3.528 20 0 GHADLP CN(C(=O)c1ccc2cc[nH]c2c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245629131 878246067 /nfs/dbraw/zinc/24/60/67/878246067.db2.gz DBZYXGIGLIWVQP-FGZHOGPDSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1ccc2cc[nH]c2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245629131 878246085 /nfs/dbraw/zinc/24/60/85/878246085.db2.gz DBZYXGIGLIWVQP-FGZHOGPDSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245693200 878403535 /nfs/dbraw/zinc/40/35/35/878403535.db2.gz KASYZCHJABQMQR-NHCUHLMSSA-N 2 2 391.987 3.678 20 0 GHADLP CN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245693200 878403540 /nfs/dbraw/zinc/40/35/40/878403540.db2.gz KASYZCHJABQMQR-NHCUHLMSSA-N 2 2 391.987 3.678 20 0 GHADLP CC[NH+](CC(O)C[N@@H+](CC)[C@H](C)c1cccc(O)c1)[C@H](C)c1cccc(O)c1 ZINC000245981551 878824227 /nfs/dbraw/zinc/82/42/27/878824227.db2.gz PLEDSEGLXQWUMB-QZTJIDSGSA-N 2 2 386.536 3.925 20 0 GHADLP CC[NH+](CC(O)C[N@H+](CC)[C@H](C)c1cccc(O)c1)[C@H](C)c1cccc(O)c1 ZINC000245981551 878824232 /nfs/dbraw/zinc/82/42/32/878824232.db2.gz PLEDSEGLXQWUMB-QZTJIDSGSA-N 2 2 386.536 3.925 20 0 GHADLP CN(C(=O)N[C@@H](C1CC1)C1CCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000459202594 879015943 /nfs/dbraw/zinc/01/59/43/879015943.db2.gz SPWJIUBUHWLBKG-BHIFYINESA-N 2 2 390.616 3.544 20 0 GHADLP CN(C(=O)N[C@@H](C1CC1)C1CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459202594 879015951 /nfs/dbraw/zinc/01/59/51/879015951.db2.gz SPWJIUBUHWLBKG-BHIFYINESA-N 2 2 390.616 3.544 20 0 GHADLP COc1cccc2cc([C@@H](C)[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)oc21 ZINC000538396732 879418292 /nfs/dbraw/zinc/41/82/92/879418292.db2.gz WVGDMFZCMDEXCN-HXOBKFHXSA-N 2 2 380.488 3.729 20 0 GHADLP COc1cccc2cc([C@@H](C)[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)oc21 ZINC000538396732 879418297 /nfs/dbraw/zinc/41/82/97/879418297.db2.gz WVGDMFZCMDEXCN-HXOBKFHXSA-N 2 2 380.488 3.729 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+][C@H]2CCc3ccccc3OC2)CCOCC1)c1ccccc1 ZINC000493870677 879685091 /nfs/dbraw/zinc/68/50/91/879685091.db2.gz FXYUGICEDADPDE-KNQAVFIVSA-N 2 2 380.532 3.870 20 0 GHADLP CC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc2c(c1)OCCO2 ZINC000538556884 879711968 /nfs/dbraw/zinc/71/19/68/879711968.db2.gz GYGKBGDPDSYXMN-MOPGFXCFSA-N 2 2 382.508 3.556 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000531441457 879861179 /nfs/dbraw/zinc/86/11/79/879861179.db2.gz JEFBVRXFOXOYLN-GOSISDBHSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000531441457 879861188 /nfs/dbraw/zinc/86/11/88/879861188.db2.gz JEFBVRXFOXOYLN-GOSISDBHSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000531441457 879861196 /nfs/dbraw/zinc/86/11/96/879861196.db2.gz JEFBVRXFOXOYLN-GOSISDBHSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000531441457 879861209 /nfs/dbraw/zinc/86/12/09/879861209.db2.gz JEFBVRXFOXOYLN-GOSISDBHSA-N 2 2 395.551 3.873 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1([N@H+](C)Cc3ccccc3)CCC1)C2 ZINC000452725341 879922966 /nfs/dbraw/zinc/92/29/66/879922966.db2.gz DRAZEMKNPRDRGO-LJQANCHMSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1([N@@H+](C)Cc3ccccc3)CCC1)C2 ZINC000452725341 879922978 /nfs/dbraw/zinc/92/29/78/879922978.db2.gz DRAZEMKNPRDRGO-LJQANCHMSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1([N@H+](C)Cc3ccccc3)CCC1)CC2 ZINC000452725341 879922985 /nfs/dbraw/zinc/92/29/85/879922985.db2.gz DRAZEMKNPRDRGO-LJQANCHMSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1([N@@H+](C)Cc3ccccc3)CCC1)CC2 ZINC000452725341 879922994 /nfs/dbraw/zinc/92/29/94/879922994.db2.gz DRAZEMKNPRDRGO-LJQANCHMSA-N 2 2 394.563 3.809 20 0 GHADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000247180296 879937522 /nfs/dbraw/zinc/93/75/22/879937522.db2.gz VCOQIGWLHBVJTI-FUHIMQAGSA-N 2 2 395.572 3.797 20 0 GHADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000247180296 879937528 /nfs/dbraw/zinc/93/75/28/879937528.db2.gz VCOQIGWLHBVJTI-FUHIMQAGSA-N 2 2 395.572 3.797 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1nnnn1-c1ccccc1 ZINC000247417103 879995157 /nfs/dbraw/zinc/99/51/57/879995157.db2.gz JUDGPWKSECASAC-RTBURBONSA-N 2 2 390.535 3.745 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1nnnn1-c1ccccc1 ZINC000247417103 879995166 /nfs/dbraw/zinc/99/51/66/879995166.db2.gz JUDGPWKSECASAC-RTBURBONSA-N 2 2 390.535 3.745 20 0 GHADLP CCn1c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)nc2c1cccc2F ZINC000182983288 880047222 /nfs/dbraw/zinc/04/72/22/880047222.db2.gz LZUCAYJGMKRSAW-UHFFFAOYSA-N 2 2 388.531 3.520 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cc(-c2ccccc2)nn1C ZINC000453098557 880423501 /nfs/dbraw/zinc/42/35/01/880423501.db2.gz VBUKGJCBQCJISF-LJQANCHMSA-N 2 2 390.531 3.770 20 0 GHADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)c1ccc(F)cn1 ZINC000453332594 880765277 /nfs/dbraw/zinc/76/52/77/880765277.db2.gz VENIGXNRVVCGSW-NRFANRHFSA-N 2 2 384.499 3.884 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2Br)CC[N@@H+]1C ZINC000186760530 880978762 /nfs/dbraw/zinc/97/87/62/880978762.db2.gz WNXNPOPNDZSDTM-GXFFZTMASA-N 2 2 376.136 3.784 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2Br)CC[N@H+]1C ZINC000186760530 880978774 /nfs/dbraw/zinc/97/87/74/880978774.db2.gz WNXNPOPNDZSDTM-GXFFZTMASA-N 2 2 376.136 3.784 20 0 GHADLP C[C@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000187411616 881184580 /nfs/dbraw/zinc/18/45/80/881184580.db2.gz DRVDHFJCJYTPDI-KRWDZBQOSA-N 2 2 393.510 3.818 20 0 GHADLP Cc1sc2nc([C@H](C)[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)nc(N)c2c1C ZINC000181053188 883120238 /nfs/dbraw/zinc/12/02/38/883120238.db2.gz CGFBFLMQPRJXNV-DZGCQCFKSA-N 2 2 384.553 3.640 20 0 GHADLP Cc1sc2nc([C@H](C)[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)nc(N)c2c1C ZINC000181053188 883120247 /nfs/dbraw/zinc/12/02/47/883120247.db2.gz CGFBFLMQPRJXNV-DZGCQCFKSA-N 2 2 384.553 3.640 20 0 GHADLP CNC(=O)c1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475749609 883130205 /nfs/dbraw/zinc/13/02/05/883130205.db2.gz QTGAZFPCYYLTNT-XMMPIXPASA-N 2 2 377.532 3.534 20 0 GHADLP CNC(=O)c1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475749609 883130210 /nfs/dbraw/zinc/13/02/10/883130210.db2.gz QTGAZFPCYYLTNT-XMMPIXPASA-N 2 2 377.532 3.534 20 0 GHADLP CNC(=O)c1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475749609 883130219 /nfs/dbraw/zinc/13/02/19/883130219.db2.gz QTGAZFPCYYLTNT-XMMPIXPASA-N 2 2 377.532 3.534 20 0 GHADLP CNC(=O)c1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475749609 883130223 /nfs/dbraw/zinc/13/02/23/883130223.db2.gz QTGAZFPCYYLTNT-XMMPIXPASA-N 2 2 377.532 3.534 20 0 GHADLP CNC(=O)c1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475749608 883130951 /nfs/dbraw/zinc/13/09/51/883130951.db2.gz QTGAZFPCYYLTNT-DEOSSOPVSA-N 2 2 377.532 3.534 20 0 GHADLP CNC(=O)c1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475749608 883130963 /nfs/dbraw/zinc/13/09/63/883130963.db2.gz QTGAZFPCYYLTNT-DEOSSOPVSA-N 2 2 377.532 3.534 20 0 GHADLP CNC(=O)c1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475749608 883130978 /nfs/dbraw/zinc/13/09/78/883130978.db2.gz QTGAZFPCYYLTNT-DEOSSOPVSA-N 2 2 377.532 3.534 20 0 GHADLP CNC(=O)c1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475749608 883130985 /nfs/dbraw/zinc/13/09/85/883130985.db2.gz QTGAZFPCYYLTNT-DEOSSOPVSA-N 2 2 377.532 3.534 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(SC)cc1OC ZINC000184733195 883364549 /nfs/dbraw/zinc/36/45/49/883364549.db2.gz PTCJUEYGGVVAKI-HNNXBMFYSA-N 2 2 375.538 3.614 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(SC)cc1OC ZINC000184733195 883364567 /nfs/dbraw/zinc/36/45/67/883364567.db2.gz PTCJUEYGGVVAKI-HNNXBMFYSA-N 2 2 375.538 3.614 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000184730655 883380866 /nfs/dbraw/zinc/38/08/66/883380866.db2.gz SFWKUDKSTBGOBS-HXUWFJFHSA-N 2 2 376.504 3.849 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000184730655 883380884 /nfs/dbraw/zinc/38/08/84/883380884.db2.gz SFWKUDKSTBGOBS-HXUWFJFHSA-N 2 2 376.504 3.849 20 0 GHADLP C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000551242630 883533936 /nfs/dbraw/zinc/53/39/36/883533936.db2.gz UUIPGXPADYCSGT-UWJYYQICSA-N 2 2 396.510 3.531 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000551242350 883534114 /nfs/dbraw/zinc/53/41/14/883534114.db2.gz SUJYVMMJXRYYTE-KBXCAEBGSA-N 2 2 387.337 3.815 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000551242350 883534119 /nfs/dbraw/zinc/53/41/19/883534119.db2.gz SUJYVMMJXRYYTE-KBXCAEBGSA-N 2 2 387.337 3.815 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC001183758575 912768209 /nfs/dbraw/zinc/76/82/09/912768209.db2.gz WJHFUBKSCJEBMP-PKTZIBPZSA-N 2 2 391.559 3.678 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC001183758575 912768212 /nfs/dbraw/zinc/76/82/12/912768212.db2.gz WJHFUBKSCJEBMP-PKTZIBPZSA-N 2 2 391.559 3.678 20 0 GHADLP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183758575 912768228 /nfs/dbraw/zinc/76/82/28/912768228.db2.gz WJHFUBKSCJEBMP-PKTZIBPZSA-N 2 2 391.559 3.678 20 0 GHADLP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183758575 912768240 /nfs/dbraw/zinc/76/82/40/912768240.db2.gz WJHFUBKSCJEBMP-PKTZIBPZSA-N 2 2 391.559 3.678 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000476184824 884222248 /nfs/dbraw/zinc/22/22/48/884222248.db2.gz YUWICYRHGDRVCU-FQEVSTJZSA-N 2 2 381.520 3.578 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000476184824 884222259 /nfs/dbraw/zinc/22/22/59/884222259.db2.gz YUWICYRHGDRVCU-FQEVSTJZSA-N 2 2 381.520 3.578 20 0 GHADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000859994732 884247888 /nfs/dbraw/zinc/24/78/88/884247888.db2.gz BHXWQSYZZZMESM-UHFFFAOYSA-N 2 2 396.503 3.767 20 0 GHADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000859994732 884247893 /nfs/dbraw/zinc/24/78/93/884247893.db2.gz BHXWQSYZZZMESM-UHFFFAOYSA-N 2 2 396.503 3.767 20 0 GHADLP Cn1ncc(Br)c1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000494984014 884315404 /nfs/dbraw/zinc/31/54/04/884315404.db2.gz ZVFSWSBWSZICRT-UHFFFAOYSA-N 2 2 391.357 3.527 20 0 GHADLP Cn1ncc(Br)c1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000494984014 884315425 /nfs/dbraw/zinc/31/54/25/884315425.db2.gz ZVFSWSBWSZICRT-UHFFFAOYSA-N 2 2 391.357 3.527 20 0 GHADLP O[C@H](COc1ccc(-c2ccccc2)cc1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495007281 884364101 /nfs/dbraw/zinc/36/41/01/884364101.db2.gz ULPCZTFRAJKWTJ-RTWAWAEBSA-N 2 2 377.488 3.696 20 0 GHADLP O[C@H](COc1ccc(-c2ccccc2)cc1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495007281 884364134 /nfs/dbraw/zinc/36/41/34/884364134.db2.gz ULPCZTFRAJKWTJ-RTWAWAEBSA-N 2 2 377.488 3.696 20 0 GHADLP COC(=O)c1cccc(-c2nc(C[N@H+](C)CCCn3cc[nH+]c3C)cs2)c1 ZINC000130524381 884738080 /nfs/dbraw/zinc/73/80/80/884738080.db2.gz MUYBKHGVEAZNSB-UHFFFAOYSA-N 2 2 384.505 3.624 20 0 GHADLP COC(=O)c1cccc(-c2nc(C[N@@H+](C)CCCn3cc[nH+]c3C)cs2)c1 ZINC000130524381 884738095 /nfs/dbraw/zinc/73/80/95/884738095.db2.gz MUYBKHGVEAZNSB-UHFFFAOYSA-N 2 2 384.505 3.624 20 0 GHADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[NH+](C)C ZINC000806551430 884771953 /nfs/dbraw/zinc/77/19/53/884771953.db2.gz NCORODLRHZEJCD-PGRDOPGGSA-N 2 2 391.519 3.671 20 0 GHADLP CCSc1cc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)ccn1 ZINC000495196624 884789559 /nfs/dbraw/zinc/78/95/59/884789559.db2.gz YRNJEEYCCFDIHZ-UHFFFAOYSA-N 2 2 390.984 3.889 20 0 GHADLP Fc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c2ncccc12 ZINC000428554784 884971537 /nfs/dbraw/zinc/97/15/37/884971537.db2.gz UJZRRWCXVBUEMT-HXUWFJFHSA-N 2 2 379.479 3.755 20 0 GHADLP Fc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ncccc12 ZINC000428554784 884971557 /nfs/dbraw/zinc/97/15/57/884971557.db2.gz UJZRRWCXVBUEMT-HXUWFJFHSA-N 2 2 379.479 3.755 20 0 GHADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](c2sccc2Br)C2CCCCC2)C1 ZINC000556573026 885536532 /nfs/dbraw/zinc/53/65/32/885536532.db2.gz MHJBGWCKQQJQMY-WBVHZDCISA-N 2 2 387.387 3.788 20 0 GHADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](c2sccc2Br)C2CCCCC2)C1 ZINC000556573026 885536546 /nfs/dbraw/zinc/53/65/46/885536546.db2.gz MHJBGWCKQQJQMY-WBVHZDCISA-N 2 2 387.387 3.788 20 0 GHADLP CN(C(=O)NCCCC1CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000666614591 885547772 /nfs/dbraw/zinc/54/77/72/885547772.db2.gz RWGXJMFGJJPGNZ-NHCUHLMSSA-N 2 2 378.605 3.545 20 0 GHADLP CN(C(=O)NCCCC1CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000666614591 885547890 /nfs/dbraw/zinc/54/78/90/885547890.db2.gz RWGXJMFGJJPGNZ-NHCUHLMSSA-N 2 2 378.605 3.545 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532550354 885994717 /nfs/dbraw/zinc/99/47/17/885994717.db2.gz JEJNCOZJHNKUJU-YHYVQYDKSA-N 2 2 386.971 3.838 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532550354 885994722 /nfs/dbraw/zinc/99/47/22/885994722.db2.gz JEJNCOZJHNKUJU-YHYVQYDKSA-N 2 2 386.971 3.838 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000532550354 885994734 /nfs/dbraw/zinc/99/47/34/885994734.db2.gz JEJNCOZJHNKUJU-YHYVQYDKSA-N 2 2 386.971 3.838 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000532550354 885994739 /nfs/dbraw/zinc/99/47/39/885994739.db2.gz JEJNCOZJHNKUJU-YHYVQYDKSA-N 2 2 386.971 3.838 20 0 GHADLP CC(=O)N1CC[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccc2C1 ZINC000537607097 886122380 /nfs/dbraw/zinc/12/23/80/886122380.db2.gz QXZIAZWXKVPLMX-QHCPKHFHSA-N 2 2 388.515 3.557 20 0 GHADLP O[C@@H](C[C@H]1CCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1)c1cccs1 ZINC000795930959 913026966 /nfs/dbraw/zinc/02/69/66/913026966.db2.gz VDMQCKNEXFALCP-YADHBBJMSA-N 2 2 399.604 3.848 20 0 GHADLP O[C@@H](C[C@H]1CCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1)c1cccs1 ZINC000795930959 913026981 /nfs/dbraw/zinc/02/69/81/913026981.db2.gz VDMQCKNEXFALCP-YADHBBJMSA-N 2 2 399.604 3.848 20 0 GHADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000119187078 886465521 /nfs/dbraw/zinc/46/55/21/886465521.db2.gz BXWGLLZGCGTYOE-UHFFFAOYSA-N 2 2 395.334 3.737 20 0 GHADLP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000119843072 886481559 /nfs/dbraw/zinc/48/15/59/886481559.db2.gz CUOKMKTYMRJRNH-AVRDEDQJSA-N 2 2 380.536 3.676 20 0 GHADLP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000119843072 886481568 /nfs/dbraw/zinc/48/15/68/886481568.db2.gz CUOKMKTYMRJRNH-AVRDEDQJSA-N 2 2 380.536 3.676 20 0 GHADLP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N[C@@H](Cn3cc[nH+]c3)c3ccccc3)c2)C1 ZINC001184191241 913049683 /nfs/dbraw/zinc/04/96/83/913049683.db2.gz QEZQWAHCXYPTAY-PKTZIBPZSA-N 2 2 388.515 3.864 20 0 GHADLP C[N@H+]1CCC[C@@H](c2cccc(C(=O)N[C@@H](Cn3cc[nH+]c3)c3ccccc3)c2)C1 ZINC001184191241 913049690 /nfs/dbraw/zinc/04/96/90/913049690.db2.gz QEZQWAHCXYPTAY-PKTZIBPZSA-N 2 2 388.515 3.864 20 0 GHADLP CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(C(=O)OC)cc1 ZINC000550752422 886687290 /nfs/dbraw/zinc/68/72/90/886687290.db2.gz KMZORVXVAURLKL-OAQYLSRUSA-N 2 2 396.535 3.962 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(F)c(F)cc1F ZINC000537620791 886820782 /nfs/dbraw/zinc/82/07/82/886820782.db2.gz ZVYLTOGKANBQED-UHFFFAOYSA-N 3 2 383.502 3.732 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(F)c(F)cc1F ZINC000537620791 886820802 /nfs/dbraw/zinc/82/08/02/886820802.db2.gz ZVYLTOGKANBQED-UHFFFAOYSA-N 3 2 383.502 3.732 20 0 GHADLP O[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccc(F)c(F)c1 ZINC000747532945 886850687 /nfs/dbraw/zinc/85/06/87/886850687.db2.gz VCKOMLADBQZNQN-DHIUTWEWSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccc(F)c(F)c1 ZINC000747532945 886850700 /nfs/dbraw/zinc/85/07/00/886850700.db2.gz VCKOMLADBQZNQN-DHIUTWEWSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccc(F)c(F)c1 ZINC000747532945 886850715 /nfs/dbraw/zinc/85/07/15/886850715.db2.gz VCKOMLADBQZNQN-DHIUTWEWSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccc(F)c(F)c1 ZINC000747532945 886850727 /nfs/dbraw/zinc/85/07/27/886850727.db2.gz VCKOMLADBQZNQN-DHIUTWEWSA-N 2 2 386.486 3.986 20 0 GHADLP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000127443658 887061987 /nfs/dbraw/zinc/06/19/87/887061987.db2.gz IHHLZZMHSNMANH-CVDCTZTESA-N 2 2 394.563 3.564 20 0 GHADLP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000127443658 887062000 /nfs/dbraw/zinc/06/20/00/887062000.db2.gz IHHLZZMHSNMANH-CVDCTZTESA-N 2 2 394.563 3.564 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1[C@H](C[NH2+]C1CC[NH+](C)CC1)C(F)(F)F ZINC001184314518 913123133 /nfs/dbraw/zinc/12/31/33/913123133.db2.gz ROGMEDVUWLAECL-SFHVURJKSA-N 2 2 380.458 3.819 20 0 GHADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000863657617 887267338 /nfs/dbraw/zinc/26/73/38/887267338.db2.gz DILBYAYICSFNER-LAUBAEHRSA-N 2 2 392.503 3.938 20 0 GHADLP COc1ccc2cc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)ccc2c1 ZINC000287143554 913137606 /nfs/dbraw/zinc/13/76/06/913137606.db2.gz HSODUXMKJHPQHZ-UHFFFAOYSA-N 2 2 396.535 3.529 20 0 GHADLP COc1ccccc1[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000062360578 887748671 /nfs/dbraw/zinc/74/86/71/887748671.db2.gz TUCXZYUVTBYQON-GGAORHGYSA-N 2 2 395.547 3.641 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccccc1 ZINC000062370799 887750352 /nfs/dbraw/zinc/75/03/52/887750352.db2.gz MMUWKDVLZNEEJN-RTWAWAEBSA-N 2 2 385.939 3.896 20 0 GHADLP C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000193916816 887819996 /nfs/dbraw/zinc/81/99/96/887819996.db2.gz LIRVOXXLLCQDJJ-SFHVURJKSA-N 2 2 383.511 3.731 20 0 GHADLP C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000193916816 887820006 /nfs/dbraw/zinc/82/00/06/887820006.db2.gz LIRVOXXLLCQDJJ-SFHVURJKSA-N 2 2 383.511 3.731 20 0 GHADLP CCCCCC[C@@H](CC)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001170599655 888283338 /nfs/dbraw/zinc/28/33/38/888283338.db2.gz PKPMKGRFYZCQMR-WOJBJXKFSA-N 2 2 375.605 3.756 20 0 GHADLP CCCCCC[C@@H](CC)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001170599655 888283353 /nfs/dbraw/zinc/28/33/53/888283353.db2.gz PKPMKGRFYZCQMR-WOJBJXKFSA-N 2 2 375.605 3.756 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cnc4c(F)cccc4c3)[nH+]c2)CC1 ZINC000865290965 888288740 /nfs/dbraw/zinc/28/87/40/888288740.db2.gz PWBGTEFBUUFLIY-UHFFFAOYSA-N 2 2 379.483 3.911 20 0 GHADLP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2c(Cl)cncc2Cl)CC1 ZINC000865483452 888379772 /nfs/dbraw/zinc/37/97/72/888379772.db2.gz JXJSIIZOSZCUDV-UHFFFAOYSA-N 2 2 380.319 3.635 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000444195209 888532874 /nfs/dbraw/zinc/53/28/74/888532874.db2.gz NOFWGHOERHBEBS-AZUAARDMSA-N 2 2 395.551 3.535 20 0 GHADLP c1c(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc2n1Cc1ccccc1 ZINC000729683782 888534498 /nfs/dbraw/zinc/53/44/98/888534498.db2.gz AUBSXFRMEZKXFG-FGZHOGPDSA-N 2 2 375.516 3.642 20 0 GHADLP c1c(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc2n1Cc1ccccc1 ZINC000729683782 888534509 /nfs/dbraw/zinc/53/45/09/888534509.db2.gz AUBSXFRMEZKXFG-FGZHOGPDSA-N 2 2 375.516 3.642 20 0 GHADLP CC[N@H+](Cc1nnc(C2CC2)o1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532733127 888789890 /nfs/dbraw/zinc/78/98/90/888789890.db2.gz IOIQPHKOYFJDHY-UHFFFAOYSA-N 2 2 384.528 3.660 20 0 GHADLP CC[N@@H+](Cc1nnc(C2CC2)o1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532733127 888789903 /nfs/dbraw/zinc/78/99/03/888789903.db2.gz IOIQPHKOYFJDHY-UHFFFAOYSA-N 2 2 384.528 3.660 20 0 GHADLP Cc1cc(C)c(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c[nH+]1 ZINC000454326683 888856889 /nfs/dbraw/zinc/85/68/89/888856889.db2.gz XIVXXRUQFSFNQL-QGZVFWFLSA-N 2 2 380.536 3.930 20 0 GHADLP Cc1cc(C)c(CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c[nH+]1 ZINC000454326683 888856908 /nfs/dbraw/zinc/85/69/08/888856908.db2.gz XIVXXRUQFSFNQL-QGZVFWFLSA-N 2 2 380.536 3.930 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(C)c1 ZINC000532753368 888883145 /nfs/dbraw/zinc/88/31/45/888883145.db2.gz HPCIXGSGVUDRPD-IFMALSPDSA-N 2 2 395.551 3.511 20 0 GHADLP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000868139148 889315098 /nfs/dbraw/zinc/31/50/98/889315098.db2.gz YYUSIPMDHBYDJY-HSZRJFAPSA-N 2 2 393.535 3.831 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000124330459 889593155 /nfs/dbraw/zinc/59/31/55/889593155.db2.gz OOJRTPIJQNCKME-UHFFFAOYSA-N 2 2 380.517 3.995 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000124330459 889593173 /nfs/dbraw/zinc/59/31/73/889593173.db2.gz OOJRTPIJQNCKME-UHFFFAOYSA-N 2 2 380.517 3.995 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC(C)(C)c3ccc(F)cc3)CC2)CC1 ZINC000868923379 889661022 /nfs/dbraw/zinc/66/10/22/889661022.db2.gz FFGMDTUZTLDWQY-UHFFFAOYSA-N 2 2 389.559 3.512 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC(C)(C)c3ccc(F)cc3)CC2)CC1 ZINC000868923379 889661029 /nfs/dbraw/zinc/66/10/29/889661029.db2.gz FFGMDTUZTLDWQY-UHFFFAOYSA-N 2 2 389.559 3.512 20 0 GHADLP CCCc1ncc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124584001 889684137 /nfs/dbraw/zinc/68/41/37/889684137.db2.gz UEAOWZLMKPXYPW-ZWKOTPCHSA-N 2 2 392.613 3.505 20 0 GHADLP CCCc1ncc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124584001 889684139 /nfs/dbraw/zinc/68/41/39/889684139.db2.gz UEAOWZLMKPXYPW-ZWKOTPCHSA-N 2 2 392.613 3.505 20 0 GHADLP CC(C)c1nc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000124588994 889685482 /nfs/dbraw/zinc/68/54/82/889685482.db2.gz QMZYBQVJSBYDST-RBUKOAKNSA-N 2 2 392.613 3.676 20 0 GHADLP CC(C)c1nc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000124588994 889685498 /nfs/dbraw/zinc/68/54/98/889685498.db2.gz QMZYBQVJSBYDST-RBUKOAKNSA-N 2 2 392.613 3.676 20 0 GHADLP CN(C(=O)Cc1c[nH]c2ccccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124753559 889749499 /nfs/dbraw/zinc/74/94/99/889749499.db2.gz IOFQEAVFOCECHB-PKTZIBPZSA-N 2 2 396.579 3.506 20 0 GHADLP CN(C(=O)Cc1c[nH]c2ccccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124753559 889749512 /nfs/dbraw/zinc/74/95/12/889749512.db2.gz IOFQEAVFOCECHB-PKTZIBPZSA-N 2 2 396.579 3.506 20 0 GHADLP Cc1cc(F)cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124789209 889762999 /nfs/dbraw/zinc/76/29/99/889762999.db2.gz SEXCSLGSJTYKTA-SFTDATJTSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1cc(F)cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124789209 889763005 /nfs/dbraw/zinc/76/30/05/889763005.db2.gz SEXCSLGSJTYKTA-SFTDATJTSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(Cl)c1 ZINC000245890221 889944217 /nfs/dbraw/zinc/94/42/17/889944217.db2.gz OKDUEVXGTLVONY-SJORKVTESA-N 2 2 388.943 3.972 20 0 GHADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(Cl)c1 ZINC000245890221 889944226 /nfs/dbraw/zinc/94/42/26/889944226.db2.gz OKDUEVXGTLVONY-SJORKVTESA-N 2 2 388.943 3.972 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1nc(C(F)(F)F)cc1C ZINC000811751011 889959420 /nfs/dbraw/zinc/95/94/20/889959420.db2.gz BSKBAWOMSSZOJB-UHFFFAOYSA-N 2 2 381.446 3.801 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000533525496 890756567 /nfs/dbraw/zinc/75/65/67/890756567.db2.gz DSUACAKOWFNWIG-NQIIRXRSSA-N 2 2 390.487 3.978 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000533525496 890756573 /nfs/dbraw/zinc/75/65/73/890756573.db2.gz DSUACAKOWFNWIG-NQIIRXRSSA-N 2 2 390.487 3.978 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c(C)c1 ZINC000533528104 890760114 /nfs/dbraw/zinc/76/01/14/890760114.db2.gz ZUHZFKDFHXFGLA-NRFANRHFSA-N 2 2 397.567 3.803 20 0 GHADLP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812842963 891032728 /nfs/dbraw/zinc/03/27/28/891032728.db2.gz CBRYKCCMSWTXFN-CPJSRVTESA-N 2 2 392.591 3.832 20 0 GHADLP CC[C@H](C)C[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533672526 891052983 /nfs/dbraw/zinc/05/29/83/891052983.db2.gz ONVBTVMFTDFTCX-MMKMLUHNSA-N 2 2 380.621 3.790 20 0 GHADLP CC[C@H](C)C[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533672526 891052990 /nfs/dbraw/zinc/05/29/90/891052990.db2.gz ONVBTVMFTDFTCX-MMKMLUHNSA-N 2 2 380.621 3.790 20 0 GHADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C(F)(F)F ZINC000872149238 891182394 /nfs/dbraw/zinc/18/23/94/891182394.db2.gz MQPCDTFSSJPCQG-SJLPKXTDSA-N 2 2 377.410 3.508 20 0 GHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C(F)(F)F ZINC000872149238 891182400 /nfs/dbraw/zinc/18/24/00/891182400.db2.gz MQPCDTFSSJPCQG-SJLPKXTDSA-N 2 2 377.410 3.508 20 0 GHADLP FC(F)(F)c1ccn(-c2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2)n1 ZINC000127706158 891215415 /nfs/dbraw/zinc/21/54/15/891215415.db2.gz OENYGXFZURLFGT-UHFFFAOYSA-N 2 2 378.442 3.951 20 0 GHADLP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)[NH+]2CCCC2)o1 ZINC000247148585 891349731 /nfs/dbraw/zinc/34/97/31/891349731.db2.gz WUBGTTCTUTUETB-QIJUGHKUSA-N 2 2 382.552 3.620 20 0 GHADLP Cc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)[NH+]2CCCC2)o1 ZINC000247148585 891349747 /nfs/dbraw/zinc/34/97/47/891349747.db2.gz WUBGTTCTUTUETB-QIJUGHKUSA-N 2 2 382.552 3.620 20 0 GHADLP Brc1ccc([C@@H]2CCC[N@@H+]2Cc2cc3c(s2)CC[NH2+]C3)nc1 ZINC000873211453 891525246 /nfs/dbraw/zinc/52/52/46/891525246.db2.gz NQDKKJLIJCBPQQ-INIZCTEOSA-N 2 2 378.339 3.888 20 0 GHADLP Brc1ccc([C@@H]2CCC[N@H+]2Cc2cc3c(s2)CC[NH2+]C3)nc1 ZINC000873211453 891525253 /nfs/dbraw/zinc/52/52/53/891525253.db2.gz NQDKKJLIJCBPQQ-INIZCTEOSA-N 2 2 378.339 3.888 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1ccc(OCC2CC2)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261650457 892057940 /nfs/dbraw/zinc/05/79/40/892057940.db2.gz BBQZWIXLBKBFSN-QFIPXVFZSA-N 2 2 394.563 3.836 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1ccc(OCC2CC2)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261650457 892057959 /nfs/dbraw/zinc/05/79/59/892057959.db2.gz BBQZWIXLBKBFSN-QFIPXVFZSA-N 2 2 394.563 3.836 20 0 GHADLP CCn1ccnc1C[N@H+](C/C=C/c1ccccc1OC)[C@H]1CC12CC[NH2+]CC2 ZINC000262105561 892222501 /nfs/dbraw/zinc/22/25/01/892222501.db2.gz JMIOXBFYGTZSMH-PVHVJQTOSA-N 2 2 380.536 3.569 20 0 GHADLP CCn1ccnc1C[N@@H+](C/C=C/c1ccccc1OC)[C@H]1CC12CC[NH2+]CC2 ZINC000262105561 892222521 /nfs/dbraw/zinc/22/25/21/892222521.db2.gz JMIOXBFYGTZSMH-PVHVJQTOSA-N 2 2 380.536 3.569 20 0 GHADLP COc1cccc(O[C@H](C)C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000125141237 892313008 /nfs/dbraw/zinc/31/30/08/892313008.db2.gz VLOKKXOUAOMJQQ-GOSISDBHSA-N 2 2 383.536 3.787 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(O)c1Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000645152222 913711778 /nfs/dbraw/zinc/71/17/78/913711778.db2.gz ZEIKUXDWIWCTOD-CQSZACIVSA-N 2 2 377.891 3.787 20 0 GHADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)c(Br)c1 ZINC000645195137 913744489 /nfs/dbraw/zinc/74/44/89/913744489.db2.gz AYPJMBXRFUECJJ-PBHICJAKSA-N 2 2 395.316 3.732 20 0 GHADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)c(Br)c1 ZINC000645195137 913744492 /nfs/dbraw/zinc/74/44/92/913744492.db2.gz AYPJMBXRFUECJJ-PBHICJAKSA-N 2 2 395.316 3.732 20 0 GHADLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000129382024 893305519 /nfs/dbraw/zinc/30/55/19/893305519.db2.gz KHZPXFSRKGYTTP-OLMNPRSZSA-N 2 2 392.425 3.590 20 0 GHADLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000129382024 893305534 /nfs/dbraw/zinc/30/55/34/893305534.db2.gz KHZPXFSRKGYTTP-OLMNPRSZSA-N 2 2 392.425 3.590 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@@H](C)C1 ZINC000876765772 893319810 /nfs/dbraw/zinc/31/98/10/893319810.db2.gz XKSZREMTESVQGD-RDJZCZTQSA-N 2 2 394.560 3.597 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@@H](C)C1 ZINC000876765772 893319822 /nfs/dbraw/zinc/31/98/22/893319822.db2.gz XKSZREMTESVQGD-RDJZCZTQSA-N 2 2 394.560 3.597 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@@H](C)C1 ZINC000876765772 893319835 /nfs/dbraw/zinc/31/98/35/893319835.db2.gz XKSZREMTESVQGD-RDJZCZTQSA-N 2 2 394.560 3.597 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@@H](C)C1 ZINC000876765772 893319853 /nfs/dbraw/zinc/31/98/53/893319853.db2.gz XKSZREMTESVQGD-RDJZCZTQSA-N 2 2 394.560 3.597 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000877115610 893492565 /nfs/dbraw/zinc/49/25/65/893492565.db2.gz QKQDVNUYIJTUNH-QGZVFWFLSA-N 2 2 390.572 3.748 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC(Nc3[nH+]ccc4cc(F)ccc43)CC2)cc1 ZINC000645253162 913780068 /nfs/dbraw/zinc/78/00/68/913780068.db2.gz DKXNMIZFFRDXBL-UHFFFAOYSA-N 2 2 392.478 3.831 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2cn3ccc(Br)cc3n2)cc1F ZINC000563287144 893565521 /nfs/dbraw/zinc/56/55/21/893565521.db2.gz GBEWUSUQRNSKSC-UHFFFAOYSA-N 2 2 391.288 3.587 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556120342 893839507 /nfs/dbraw/zinc/83/95/07/893839507.db2.gz OKIRDFNMSNZKEF-UDIRQSBCSA-N 2 2 389.543 3.569 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556120342 893839524 /nfs/dbraw/zinc/83/95/24/893839524.db2.gz OKIRDFNMSNZKEF-UDIRQSBCSA-N 2 2 389.543 3.569 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556120341 893839888 /nfs/dbraw/zinc/83/98/88/893839888.db2.gz OKIRDFNMSNZKEF-OEYYQIPYSA-N 2 2 389.543 3.569 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556120341 893839904 /nfs/dbraw/zinc/83/99/04/893839904.db2.gz OKIRDFNMSNZKEF-OEYYQIPYSA-N 2 2 389.543 3.569 20 0 GHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000536840839 893916598 /nfs/dbraw/zinc/91/65/98/893916598.db2.gz VFFHTSAGNMQRTB-ABAIWWIYSA-N 2 2 377.838 3.595 20 0 GHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000536840839 893916604 /nfs/dbraw/zinc/91/66/04/893916604.db2.gz VFFHTSAGNMQRTB-ABAIWWIYSA-N 2 2 377.838 3.595 20 0 GHADLP FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000563669101 894047725 /nfs/dbraw/zinc/04/77/25/894047725.db2.gz FWPKOZUCFJPKLZ-ZBFHGGJFSA-N 2 2 380.414 3.719 20 0 GHADLP FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000563669101 894047743 /nfs/dbraw/zinc/04/77/43/894047743.db2.gz FWPKOZUCFJPKLZ-ZBFHGGJFSA-N 2 2 380.414 3.719 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536908805 894087032 /nfs/dbraw/zinc/08/70/32/894087032.db2.gz HNOHKWHWCJMKGK-WMZHIEFXSA-N 2 2 388.515 3.757 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+]C3(C4CCC4)CCC3)n2)CC1 ZINC000459754302 894148770 /nfs/dbraw/zinc/14/87/70/894148770.db2.gz CVQPFGXPEMHJAH-UHFFFAOYSA-N 2 2 376.570 3.626 20 0 GHADLP CC[N@H+](CCCC1CC[NH+](Cc2nc(C)c(C)[nH]2)CC1)Cc1nc(C)c(C)[nH]1 ZINC000878329548 894197304 /nfs/dbraw/zinc/19/73/04/894197304.db2.gz OMWZRZRCTPGNJB-UHFFFAOYSA-N 2 2 386.588 3.881 20 0 GHADLP COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000564130551 894632808 /nfs/dbraw/zinc/63/28/08/894632808.db2.gz VQSJNUMTSKMBOR-SFHVURJKSA-N 2 2 385.508 3.516 20 0 GHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](Cc3ccco3)C(C)C)CC2)cc1 ZINC000537249662 894656545 /nfs/dbraw/zinc/65/65/45/894656545.db2.gz OTKWTJXXENAXJF-UHFFFAOYSA-N 2 2 383.536 3.533 20 0 GHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](Cc3ccco3)C(C)C)CC2)cc1 ZINC000537249662 894656547 /nfs/dbraw/zinc/65/65/47/894656547.db2.gz OTKWTJXXENAXJF-UHFFFAOYSA-N 2 2 383.536 3.533 20 0 GHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](Cc3ccco3)C(C)C)CC2)cc1 ZINC000537249662 894656552 /nfs/dbraw/zinc/65/65/52/894656552.db2.gz OTKWTJXXENAXJF-UHFFFAOYSA-N 2 2 383.536 3.533 20 0 GHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](Cc3ccco3)C(C)C)CC2)cc1 ZINC000537249662 894656557 /nfs/dbraw/zinc/65/65/57/894656557.db2.gz OTKWTJXXENAXJF-UHFFFAOYSA-N 2 2 383.536 3.533 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H](c3ncc[nH]3)c3ccccc3)CC2)cc1 ZINC000127422933 894735295 /nfs/dbraw/zinc/73/52/95/894735295.db2.gz MUZBKOPVXSPQJN-QFIPXVFZSA-N 2 2 375.520 3.824 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000666868578 895117453 /nfs/dbraw/zinc/11/74/53/895117453.db2.gz YLGYLFGAXAEPQU-IBGZPJMESA-N 2 2 378.451 3.830 20 0 GHADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001135727949 895176479 /nfs/dbraw/zinc/17/64/79/895176479.db2.gz AWBLFKKRYDQELR-UHFFFAOYSA-N 2 2 388.515 3.717 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(F)c1 ZINC000564720583 895209963 /nfs/dbraw/zinc/20/99/63/895209963.db2.gz ZFEUSWDPMJSJGN-PZJWPPBQSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(F)c1 ZINC000564720583 895209980 /nfs/dbraw/zinc/20/99/80/895209980.db2.gz ZFEUSWDPMJSJGN-PZJWPPBQSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(F)c1 ZINC000564720583 895209981 /nfs/dbraw/zinc/20/99/81/895209981.db2.gz ZFEUSWDPMJSJGN-PZJWPPBQSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(F)c1 ZINC000564720583 895209998 /nfs/dbraw/zinc/20/99/98/895209998.db2.gz ZFEUSWDPMJSJGN-PZJWPPBQSA-N 2 2 382.479 3.566 20 0 GHADLP CCc1ccc([C@H](CNC(=O)c2c[nH+]ccc2Nc2ccccc2)[NH+](C)C)cc1 ZINC001135927135 895703648 /nfs/dbraw/zinc/70/36/48/895703648.db2.gz ZVURYVWEYAQCKP-QHCPKHFHSA-N 2 2 388.515 3.842 20 0 GHADLP COc1ccc([C@H]([NH2+]CCc2c[nH]c3cccc(OC)c23)[C@@H]2CCC[NH2+]2)cc1 ZINC000817920135 895962047 /nfs/dbraw/zinc/96/20/47/895962047.db2.gz BPWFJGKPMNCHDU-REWPJTCUSA-N 2 2 379.504 3.811 20 0 GHADLP COC(OC)c1ccc(F)c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000818177706 896060704 /nfs/dbraw/zinc/06/07/04/896060704.db2.gz GHPIUIOEQYYZHF-UHFFFAOYSA-N 2 2 386.511 3.914 20 0 GHADLP C[C@@H](OC[C@H](O)C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000566116455 896119542 /nfs/dbraw/zinc/11/95/42/896119542.db2.gz IZYSCMADMPWKIB-IIBYNOLFSA-N 2 2 385.895 3.754 20 0 GHADLP CCC1([NH+]2CCCCC2)CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000881629220 896404500 /nfs/dbraw/zinc/40/45/00/896404500.db2.gz UQLOKENNEYXJCM-MRXNPFEDSA-N 2 2 386.462 3.634 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000042229126 897321919 /nfs/dbraw/zinc/32/19/19/897321919.db2.gz IKAINTPCJHSIFU-INIZCTEOSA-N 2 2 376.907 3.606 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000042229126 897321936 /nfs/dbraw/zinc/32/19/36/897321936.db2.gz IKAINTPCJHSIFU-INIZCTEOSA-N 2 2 376.907 3.606 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC000883187437 897349814 /nfs/dbraw/zinc/34/98/14/897349814.db2.gz OCANWYYQXYJQSJ-NRFANRHFSA-N 2 2 378.532 3.772 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)n2)C1 ZINC001136351119 897392176 /nfs/dbraw/zinc/39/21/76/897392176.db2.gz GGEZATPWVQWOEI-DLBZAZTESA-N 2 2 390.597 3.968 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)n2)C1 ZINC001136351119 897392187 /nfs/dbraw/zinc/39/21/87/897392187.db2.gz GGEZATPWVQWOEI-DLBZAZTESA-N 2 2 390.597 3.968 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)n2)C1 ZINC001136351119 897392201 /nfs/dbraw/zinc/39/22/01/897392201.db2.gz GGEZATPWVQWOEI-DLBZAZTESA-N 2 2 390.597 3.968 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)n2)C1 ZINC001136351119 897392209 /nfs/dbraw/zinc/39/22/09/897392209.db2.gz GGEZATPWVQWOEI-DLBZAZTESA-N 2 2 390.597 3.968 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000567779746 897392882 /nfs/dbraw/zinc/39/28/82/897392882.db2.gz ZVKRZEBFSHSENK-YCRPNKLZSA-N 2 2 387.474 3.655 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000567779746 897392898 /nfs/dbraw/zinc/39/28/98/897392898.db2.gz ZVKRZEBFSHSENK-YCRPNKLZSA-N 2 2 387.474 3.655 20 0 GHADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000883387313 897550379 /nfs/dbraw/zinc/55/03/79/897550379.db2.gz VOFVTRWQIPDLSI-UWJYYQICSA-N 2 2 378.476 3.640 20 0 GHADLP Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)c1ccccc1 ZINC000568179266 897658437 /nfs/dbraw/zinc/65/84/37/897658437.db2.gz JDYRLGLNIBIWQV-XJTUCQONSA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2)c1ccccc1 ZINC000568179266 897658446 /nfs/dbraw/zinc/65/84/46/897658446.db2.gz JDYRLGLNIBIWQV-XJTUCQONSA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)c1ccccc1 ZINC000568179266 897658451 /nfs/dbraw/zinc/65/84/51/897658451.db2.gz JDYRLGLNIBIWQV-XJTUCQONSA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)c1ccccc1 ZINC000568179266 897658458 /nfs/dbraw/zinc/65/84/58/897658458.db2.gz JDYRLGLNIBIWQV-XJTUCQONSA-N 2 2 394.559 3.630 20 0 GHADLP CC[NH+]1CCC(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)(c2ccccc2)CC1 ZINC001136454285 897930563 /nfs/dbraw/zinc/93/05/63/897930563.db2.gz SACMLWURIFBJET-UHFFFAOYSA-N 2 2 395.547 3.719 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N([C@@H](C)C3CC3)C3CC3)C2)s1 ZINC000568563995 897937383 /nfs/dbraw/zinc/93/73/83/897937383.db2.gz JABSABIBZHDJBB-ZWKOTPCHSA-N 2 2 389.609 3.600 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N([C@@H](C)C3CC3)C3CC3)C2)s1 ZINC000568563995 897937396 /nfs/dbraw/zinc/93/73/96/897937396.db2.gz JABSABIBZHDJBB-ZWKOTPCHSA-N 2 2 389.609 3.600 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N([C@@H](C)C3CC3)C3CC3)C2)s1 ZINC000568563995 897937404 /nfs/dbraw/zinc/93/74/04/897937404.db2.gz JABSABIBZHDJBB-ZWKOTPCHSA-N 2 2 389.609 3.600 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N([C@@H](C)C3CC3)C3CC3)C2)s1 ZINC000568563995 897937415 /nfs/dbraw/zinc/93/74/15/897937415.db2.gz JABSABIBZHDJBB-ZWKOTPCHSA-N 2 2 389.609 3.600 20 0 GHADLP CC(C)[NH2+]C1CCN(Cc2cccc(C[NH+]3CCC([NH2+]C(C)C)CC3)c2)CC1 ZINC000108371072 898378450 /nfs/dbraw/zinc/37/84/50/898378450.db2.gz OBPFLFCATQZSEK-UHFFFAOYSA-N 3 2 386.628 3.611 20 0 GHADLP C[NH+](C)C[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000569281412 898502495 /nfs/dbraw/zinc/50/24/95/898502495.db2.gz ZPJTWOXYBYOPCN-OAQYLSRUSA-N 2 2 396.922 3.546 20 0 GHADLP CCOC(=O)Nc1ccc(F)c(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c1 ZINC001136819137 899372479 /nfs/dbraw/zinc/37/24/79/899372479.db2.gz VQRRIKFBEGOBME-UHFFFAOYSA-N 2 2 383.383 3.536 20 0 GHADLP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000134061203 899500948 /nfs/dbraw/zinc/50/09/48/899500948.db2.gz DUPNNMLHEHSNSK-LPHOPBHVSA-N 2 2 386.927 3.879 20 0 GHADLP O[C@H](c1ccc(Cl)cc1)C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000824776690 899800247 /nfs/dbraw/zinc/80/02/47/899800247.db2.gz JDGYUXOUXFLCKO-OAQYLSRUSA-N 2 2 382.895 3.866 20 0 GHADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000333010499 899890210 /nfs/dbraw/zinc/89/02/10/899890210.db2.gz FSUOEKWMSHRAJT-QZTJIDSGSA-N 2 2 380.536 3.665 20 0 GHADLP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333062785 899931254 /nfs/dbraw/zinc/93/12/54/899931254.db2.gz STPMKUFGXRQRNP-KRWDZBQOSA-N 2 2 380.536 3.988 20 0 GHADLP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333078673 899943924 /nfs/dbraw/zinc/94/39/24/899943924.db2.gz WNIHTEYJQWBDQF-UHFFFAOYSA-N 2 2 386.927 3.999 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2c[nH]c4cccc(F)c24)CC3)n1 ZINC001136983682 899957640 /nfs/dbraw/zinc/95/76/40/899957640.db2.gz XBXABHADPZUYML-UHFFFAOYSA-N 2 2 381.499 3.671 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2c[nH]c4cccc(F)c24)CC3)n1 ZINC001136983682 899957648 /nfs/dbraw/zinc/95/76/48/899957648.db2.gz XBXABHADPZUYML-UHFFFAOYSA-N 2 2 381.499 3.671 20 0 GHADLP CN(C(=O)c1cccc(C2CC2)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000571893649 900002172 /nfs/dbraw/zinc/00/21/72/900002172.db2.gz RCUPCPNHWFPWAH-GOTSBHOMSA-N 2 2 383.580 3.973 20 0 GHADLP CN(C(=O)c1cccc(C2CC2)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000571893649 900002182 /nfs/dbraw/zinc/00/21/82/900002182.db2.gz RCUPCPNHWFPWAH-GOTSBHOMSA-N 2 2 383.580 3.973 20 0 GHADLP COc1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1C ZINC001137004925 900029707 /nfs/dbraw/zinc/02/97/07/900029707.db2.gz SDIAVJPTBUZZDZ-BVSLBCMMSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1C ZINC001137004925 900029715 /nfs/dbraw/zinc/02/97/15/900029715.db2.gz SDIAVJPTBUZZDZ-BVSLBCMMSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1C ZINC001137004925 900029716 /nfs/dbraw/zinc/02/97/16/900029716.db2.gz SDIAVJPTBUZZDZ-BVSLBCMMSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1C ZINC001137004925 900029723 /nfs/dbraw/zinc/02/97/23/900029723.db2.gz SDIAVJPTBUZZDZ-BVSLBCMMSA-N 2 2 380.536 3.526 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC3C[C@H]4CCC[C@@H](C3)[NH+]4C)n2)C1 ZINC000333206075 900036658 /nfs/dbraw/zinc/03/66/58/900036658.db2.gz AOWAYENNGABALH-DUZACMNTSA-N 2 2 391.585 3.512 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3C[C@H]4CCC[C@@H](C3)[NH+]4C)n2)C1 ZINC000333206075 900036671 /nfs/dbraw/zinc/03/66/71/900036671.db2.gz AOWAYENNGABALH-DUZACMNTSA-N 2 2 391.585 3.512 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)n2)C1 ZINC000333206075 900036683 /nfs/dbraw/zinc/03/66/83/900036683.db2.gz AOWAYENNGABALH-DUZACMNTSA-N 2 2 391.585 3.512 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)n2)C1 ZINC000333206075 900036695 /nfs/dbraw/zinc/03/66/95/900036695.db2.gz AOWAYENNGABALH-DUZACMNTSA-N 2 2 391.585 3.512 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000825299077 900078886 /nfs/dbraw/zinc/07/88/86/900078886.db2.gz AWUMOOIXVNTMMK-MRXNPFEDSA-N 2 2 376.526 3.811 20 0 GHADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000572685561 900248809 /nfs/dbraw/zinc/24/88/09/900248809.db2.gz AHTSPRVOMFESRJ-UHFFFAOYSA-N 2 2 397.350 3.685 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001171108344 900552921 /nfs/dbraw/zinc/55/29/21/900552921.db2.gz NRSIWYIDDOBAAG-AZUAARDMSA-N 2 2 382.508 3.622 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001171108344 900552929 /nfs/dbraw/zinc/55/29/29/900552929.db2.gz NRSIWYIDDOBAAG-AZUAARDMSA-N 2 2 382.508 3.622 20 0 GHADLP CCC1([NH+]2CCC2)CCN(CC[C@@H](C)[NH+]2CCC(CC)([NH+]3CCC3)CC2)CC1 ZINC000886714151 901243240 /nfs/dbraw/zinc/24/32/40/901243240.db2.gz CNTIVPWFUASRQR-JOCHJYFZSA-N 3 2 390.660 3.666 20 0 GHADLP CCC1([NH+]2CCC2)CCN([C@H](C)CC[NH+]2CCC(CC)([NH+]3CCC3)CC2)CC1 ZINC000886714151 901243249 /nfs/dbraw/zinc/24/32/49/901243249.db2.gz CNTIVPWFUASRQR-JOCHJYFZSA-N 3 2 390.660 3.666 20 0 GHADLP c1ccc2cc(C[NH2+]C3CC[NH+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)ccc2c1 ZINC000826524313 901387775 /nfs/dbraw/zinc/38/77/75/901387775.db2.gz QECZFOTZMZHAGW-UHFFFAOYSA-N 2 2 398.514 3.774 20 0 GHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cc(F)cc(Cl)c3)CC2)C[C@@H](C)O1 ZINC000576029751 901606077 /nfs/dbraw/zinc/60/60/77/901606077.db2.gz ZAQVFDPEEJYMGO-HZPDHXFCSA-N 2 2 384.923 3.569 20 0 GHADLP Cc1nc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)sc1C ZINC001144363946 901904826 /nfs/dbraw/zinc/90/48/26/901904826.db2.gz XBGVUPZAJLUFDH-UHFFFAOYSA-N 2 2 377.579 3.688 20 0 GHADLP Cc1nc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)sc1C ZINC001144363946 901904835 /nfs/dbraw/zinc/90/48/35/901904835.db2.gz XBGVUPZAJLUFDH-UHFFFAOYSA-N 2 2 377.579 3.688 20 0 GHADLP COC(=O)c1ccc(F)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000576316291 901940092 /nfs/dbraw/zinc/94/00/92/901940092.db2.gz LAAVOCZQXNREOE-FPOVZHCZSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(F)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000576316291 901940101 /nfs/dbraw/zinc/94/01/01/901940101.db2.gz LAAVOCZQXNREOE-FPOVZHCZSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(F)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000576316291 901940114 /nfs/dbraw/zinc/94/01/14/901940114.db2.gz LAAVOCZQXNREOE-FPOVZHCZSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(F)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000576316291 901940124 /nfs/dbraw/zinc/94/01/24/901940124.db2.gz LAAVOCZQXNREOE-FPOVZHCZSA-N 2 2 382.479 3.566 20 0 GHADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccccc3-c3[nH+]cc4n3CCCC4)C2)C1 ZINC000333391130 902058533 /nfs/dbraw/zinc/05/85/33/902058533.db2.gz MBSPICDTOPGFNB-HSZRJFAPSA-N 2 2 393.535 3.836 20 0 GHADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccccc3-c3[nH+]cc4n3CCCC4)C2)C1 ZINC000333391130 902058541 /nfs/dbraw/zinc/05/85/41/902058541.db2.gz MBSPICDTOPGFNB-HSZRJFAPSA-N 2 2 393.535 3.836 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000576553683 902093107 /nfs/dbraw/zinc/09/31/07/902093107.db2.gz YNVWGUQWBDHBIU-FGCOXFRFSA-N 2 2 391.559 3.660 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000576553683 902093120 /nfs/dbraw/zinc/09/31/20/902093120.db2.gz YNVWGUQWBDHBIU-FGCOXFRFSA-N 2 2 391.559 3.660 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000576553683 902093127 /nfs/dbraw/zinc/09/31/27/902093127.db2.gz YNVWGUQWBDHBIU-FGCOXFRFSA-N 2 2 391.559 3.660 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000576553683 902093140 /nfs/dbraw/zinc/09/31/40/902093140.db2.gz YNVWGUQWBDHBIU-FGCOXFRFSA-N 2 2 391.559 3.660 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000576553685 902093566 /nfs/dbraw/zinc/09/35/66/902093566.db2.gz YNVWGUQWBDHBIU-QDSKXPNFSA-N 2 2 391.559 3.660 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000576553685 902093573 /nfs/dbraw/zinc/09/35/73/902093573.db2.gz YNVWGUQWBDHBIU-QDSKXPNFSA-N 2 2 391.559 3.660 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000576553685 902093579 /nfs/dbraw/zinc/09/35/79/902093579.db2.gz YNVWGUQWBDHBIU-QDSKXPNFSA-N 2 2 391.559 3.660 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000576553685 902093586 /nfs/dbraw/zinc/09/35/86/902093586.db2.gz YNVWGUQWBDHBIU-QDSKXPNFSA-N 2 2 391.559 3.660 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c(F)c1 ZINC001144434997 902160200 /nfs/dbraw/zinc/16/02/00/902160200.db2.gz OXVMNYZRNPIHQG-UHFFFAOYSA-N 2 2 393.462 3.791 20 0 GHADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1c[nH]c2nccnc12 ZINC000290388052 914659244 /nfs/dbraw/zinc/65/92/44/914659244.db2.gz JECQDKRZZFZTBU-UHFFFAOYSA-N 2 2 390.491 3.646 20 0 GHADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1c[nH]c2nccnc12 ZINC000290388052 914659253 /nfs/dbraw/zinc/65/92/53/914659253.db2.gz JECQDKRZZFZTBU-UHFFFAOYSA-N 2 2 390.491 3.646 20 0 GHADLP C[C@@H](c1cccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1)[NH+]1CCOCC1 ZINC000264252200 902964476 /nfs/dbraw/zinc/96/44/76/902964476.db2.gz PFIUCXFQUQXJFJ-INIZCTEOSA-N 2 2 388.556 3.511 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCN(CC1CC1)C(=O)OC(C)(C)C ZINC001146986644 903654102 /nfs/dbraw/zinc/65/41/02/903654102.db2.gz HCVJFWXLSVLKCI-UHFFFAOYSA-N 2 2 399.495 3.551 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(Cl)cc1 ZINC001147103968 903697716 /nfs/dbraw/zinc/69/77/16/903697716.db2.gz PVLKGQAVYVRCOC-LEWJYISDSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(Cl)cc1 ZINC001147103968 903697724 /nfs/dbraw/zinc/69/77/24/903697724.db2.gz PVLKGQAVYVRCOC-LEWJYISDSA-N 2 2 385.939 3.724 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000779063717 903751148 /nfs/dbraw/zinc/75/11/48/903751148.db2.gz CUKUZAKHJSDILT-XUVXKRRUSA-N 2 2 396.535 3.581 20 0 GHADLP O=C([C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC[NH+](C2CCCC2)CC1 ZINC001147710036 903858889 /nfs/dbraw/zinc/85/88/89/903858889.db2.gz OOPREPDWCPKATC-OAQYLSRUSA-N 2 2 389.971 3.781 20 0 GHADLP O=C([C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC[NH+](C2CCCC2)CC1 ZINC001147710036 903858897 /nfs/dbraw/zinc/85/88/97/903858897.db2.gz OOPREPDWCPKATC-OAQYLSRUSA-N 2 2 389.971 3.781 20 0 GHADLP O=C([C@H]1CCC[NH+]1Cc1ccc(Cl)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC001147710036 903858903 /nfs/dbraw/zinc/85/89/03/903858903.db2.gz OOPREPDWCPKATC-OAQYLSRUSA-N 2 2 389.971 3.781 20 0 GHADLP O=C([C@H]1CCC[NH+]1Cc1ccc(Cl)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC001147710036 903858908 /nfs/dbraw/zinc/85/89/08/903858908.db2.gz OOPREPDWCPKATC-OAQYLSRUSA-N 2 2 389.971 3.781 20 0 GHADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccc1OCC(=O)N(C)C ZINC000152253485 904249522 /nfs/dbraw/zinc/24/95/22/904249522.db2.gz KCEZDWRALVZLLP-FQEVSTJZSA-N 2 2 392.503 3.580 20 0 GHADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000290791548 914821162 /nfs/dbraw/zinc/82/11/62/914821162.db2.gz URYMETXNBAMQGB-MSOLQXFVSA-N 2 2 390.572 3.890 20 0 GHADLP CC(C)CCc1ccccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000579670646 904796060 /nfs/dbraw/zinc/79/60/60/904796060.db2.gz UQKJLPYHKXDPQG-UHFFFAOYSA-N 2 2 386.584 3.955 20 0 GHADLP COc1ccccc1C1([NH3+])CC[NH+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171522263 904799789 /nfs/dbraw/zinc/79/97/89/904799789.db2.gz VLSYENDZABBJMJ-OAHLLOKOSA-N 2 2 390.449 3.920 20 0 GHADLP C[NH+]1C(C)(C)CC([NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)CC1(C)C ZINC001171635363 904923730 /nfs/dbraw/zinc/92/37/30/904923730.db2.gz XABCTGHRSOMQSE-FQEVSTJZSA-N 2 2 387.568 3.735 20 0 GHADLP C[NH+]1C(C)(C)CC([NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)CC1(C)C ZINC001171635364 904923958 /nfs/dbraw/zinc/92/39/58/904923958.db2.gz XABCTGHRSOMQSE-HXUWFJFHSA-N 2 2 387.568 3.735 20 0 GHADLP Fc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000188986826 905017552 /nfs/dbraw/zinc/01/75/52/905017552.db2.gz JTTAXCRMIHPUCU-UHFFFAOYSA-N 2 2 396.432 3.541 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CC12CCC2 ZINC001171843922 905093133 /nfs/dbraw/zinc/09/31/33/905093133.db2.gz DXECFVKREJPBFF-VQTJNVASSA-N 2 2 385.552 3.694 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CC12CCC2 ZINC001171843922 905093150 /nfs/dbraw/zinc/09/31/50/905093150.db2.gz DXECFVKREJPBFF-VQTJNVASSA-N 2 2 385.552 3.694 20 0 GHADLP CC1(C)C[C@H]([NH2+]C2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977345 905224243 /nfs/dbraw/zinc/22/42/43/905224243.db2.gz AZYCSFDTEFLPJC-XMMPIXPASA-N 3 2 399.623 3.910 20 0 GHADLP CC1(C)C[C@H]([NH2+]C2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977345 905224258 /nfs/dbraw/zinc/22/42/58/905224258.db2.gz AZYCSFDTEFLPJC-XMMPIXPASA-N 3 2 399.623 3.910 20 0 GHADLP c1coc(C[NH+]2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)c1 ZINC001172074913 905285575 /nfs/dbraw/zinc/28/55/75/905285575.db2.gz MTBGQGQUNRPXHD-JKHIJQBDSA-N 2 2 379.548 3.983 20 0 GHADLP c1coc(C[NH+]2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)c1 ZINC001172074913 905285592 /nfs/dbraw/zinc/28/55/92/905285592.db2.gz MTBGQGQUNRPXHD-JKHIJQBDSA-N 2 2 379.548 3.983 20 0 GHADLP CC[NH+](CC)CCN1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172076565 905288065 /nfs/dbraw/zinc/28/80/65/905288065.db2.gz FZIISOKTNCWIQJ-LNWKWYTESA-N 3 2 398.639 3.532 20 0 GHADLP CC[NH+](CC)CCN1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076565 905288079 /nfs/dbraw/zinc/28/80/79/905288079.db2.gz FZIISOKTNCWIQJ-LNWKWYTESA-N 3 2 398.639 3.532 20 0 GHADLP COc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1OC ZINC001172065428 905331615 /nfs/dbraw/zinc/33/16/15/905331615.db2.gz LPGVWXPGANPANL-WKCHPHFGSA-N 2 2 381.520 3.774 20 0 GHADLP COc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1OC ZINC001172065428 905331631 /nfs/dbraw/zinc/33/16/31/905331631.db2.gz LPGVWXPGANPANL-WKCHPHFGSA-N 2 2 381.520 3.774 20 0 GHADLP COC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccn1 ZINC001172067166 905334378 /nfs/dbraw/zinc/33/43/78/905334378.db2.gz OOVCNOAUXJGEDK-ADYITMSISA-N 2 2 393.531 3.861 20 0 GHADLP COC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccn1 ZINC001172067166 905334390 /nfs/dbraw/zinc/33/43/90/905334390.db2.gz OOVCNOAUXJGEDK-ADYITMSISA-N 2 2 393.531 3.861 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(Cc3ccc(Br)cc3)CC1)C2 ZINC001172122423 905381959 /nfs/dbraw/zinc/38/19/59/905381959.db2.gz QDUORMSEMPCYMC-ACDBMABISA-N 2 2 392.385 3.582 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(Cc3ccc(Br)cc3)CC1)C2 ZINC001172122423 905381977 /nfs/dbraw/zinc/38/19/77/905381977.db2.gz QDUORMSEMPCYMC-ACDBMABISA-N 2 2 392.385 3.582 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@H](C)C[NH+]2CCCC2)CC1 ZINC001172209895 905407626 /nfs/dbraw/zinc/40/76/26/905407626.db2.gz PCPDCNQKDBWZQB-YLZJTPGZSA-N 2 2 378.944 3.767 20 0 GHADLP c1cnn(Cc2c[nH+]c3n2CC[N@@H+]([C@H]2CCC[C@@H](c4ccccc4)C2)CC3)c1 ZINC001172544150 905649013 /nfs/dbraw/zinc/64/90/13/905649013.db2.gz RMLDGSLZHQQACP-RTWAWAEBSA-N 2 2 375.520 3.712 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([N@@H+]2CCC[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172580260 905681181 /nfs/dbraw/zinc/68/11/81/905681181.db2.gz JASQOECFRHJMOY-WSTZPKSXSA-N 2 2 391.531 3.998 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([N@H+]2CCC[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172580260 905681183 /nfs/dbraw/zinc/68/11/83/905681183.db2.gz JASQOECFRHJMOY-WSTZPKSXSA-N 2 2 391.531 3.998 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cs1 ZINC001172708813 905791725 /nfs/dbraw/zinc/79/17/25/905791725.db2.gz FHZVGYPSNYJCIA-MRXNPFEDSA-N 2 2 381.998 3.848 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001172815795 905847227 /nfs/dbraw/zinc/84/72/27/905847227.db2.gz RAHJRYRVVHWSMG-ZZJWQFMZSA-N 2 2 385.508 3.550 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001172815795 905847231 /nfs/dbraw/zinc/84/72/31/905847231.db2.gz RAHJRYRVVHWSMG-ZZJWQFMZSA-N 2 2 385.508 3.550 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCC(Cc5ccccc5)CC4)C[C@@H]3C2)cn1 ZINC001172822230 905854523 /nfs/dbraw/zinc/85/45/23/905854523.db2.gz QJHLQLNEUGEGNV-YKGQEMRWSA-N 2 2 392.591 3.975 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C4CCC(Cc5ccccc5)CC4)C[C@@H]3C2)cn1 ZINC001172822230 905854542 /nfs/dbraw/zinc/85/45/42/905854542.db2.gz QJHLQLNEUGEGNV-YKGQEMRWSA-N 2 2 392.591 3.975 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCC(Cc5ccccc5)CC4)C[C@@H]3C2)cn1 ZINC001172822230 905854556 /nfs/dbraw/zinc/85/45/56/905854556.db2.gz QJHLQLNEUGEGNV-YKGQEMRWSA-N 2 2 392.591 3.975 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C4CCC(Cc5ccccc5)CC4)C[C@@H]3C2)cn1 ZINC001172822230 905854568 /nfs/dbraw/zinc/85/45/68/905854568.db2.gz QJHLQLNEUGEGNV-YKGQEMRWSA-N 2 2 392.591 3.975 20 0 GHADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001172839223 905894938 /nfs/dbraw/zinc/89/49/38/905894938.db2.gz CMSYTSKFWDJPBC-LTQQYIGLSA-N 2 2 384.923 3.982 20 0 GHADLP CC[NH+](CC)CCn1cc(Nc2cc[nH+]c3ccc(Br)cc23)cn1 ZINC001203252415 906096542 /nfs/dbraw/zinc/09/65/42/906096542.db2.gz UYAYVCXQTOABEB-UHFFFAOYSA-N 2 2 388.313 3.701 20 0 GHADLP COc1cccc2c1C[C@@H]([N@@H+]1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)CO2 ZINC001173166608 906223317 /nfs/dbraw/zinc/22/33/17/906223317.db2.gz UNKGNDXMKHEXMR-HYBUGGRVSA-N 2 2 378.516 3.597 20 0 GHADLP COc1cccc2c1C[C@@H]([N@H+]1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)CO2 ZINC001173166608 906223331 /nfs/dbraw/zinc/22/33/31/906223331.db2.gz UNKGNDXMKHEXMR-HYBUGGRVSA-N 2 2 378.516 3.597 20 0 GHADLP COc1cccc2c1C[C@@H]([NH+]1CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C1)CO2 ZINC001173166608 906223342 /nfs/dbraw/zinc/22/33/42/906223342.db2.gz UNKGNDXMKHEXMR-HYBUGGRVSA-N 2 2 378.516 3.597 20 0 GHADLP COc1cccc2c1C[C@@H]([NH+]1CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C1)CO2 ZINC001173166608 906223345 /nfs/dbraw/zinc/22/33/45/906223345.db2.gz UNKGNDXMKHEXMR-HYBUGGRVSA-N 2 2 378.516 3.597 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1CCC(Oc3ccccc3)CC1)C2 ZINC001173200551 906284809 /nfs/dbraw/zinc/28/48/09/906284809.db2.gz NRUXYPUZUXZKAM-UHFFFAOYSA-N 2 2 382.552 3.929 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CCC(Oc3ccccc3)CC1)C2 ZINC001173200551 906284824 /nfs/dbraw/zinc/28/48/24/906284824.db2.gz NRUXYPUZUXZKAM-UHFFFAOYSA-N 2 2 382.552 3.929 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C1CCC(Oc3ccccc3)CC1)C2 ZINC001173200551 906284843 /nfs/dbraw/zinc/28/48/43/906284843.db2.gz NRUXYPUZUXZKAM-UHFFFAOYSA-N 2 2 382.552 3.929 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1CCC(Oc3ccccc3)CC1)C2 ZINC001173200551 906284864 /nfs/dbraw/zinc/28/48/64/906284864.db2.gz NRUXYPUZUXZKAM-UHFFFAOYSA-N 2 2 382.552 3.929 20 0 GHADLP COC(=O)CCCC[C@@H](C)[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001173451704 906491087 /nfs/dbraw/zinc/49/10/87/906491087.db2.gz OMCOVEKPKLWKFQ-GOSISDBHSA-N 2 2 399.535 3.787 20 0 GHADLP COC(=O)CCCC[C@@H](C)[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001173451704 906491098 /nfs/dbraw/zinc/49/10/98/906491098.db2.gz OMCOVEKPKLWKFQ-GOSISDBHSA-N 2 2 399.535 3.787 20 0 GHADLP COC(=O)CCCC[C@@H](C)[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001173451704 906491109 /nfs/dbraw/zinc/49/11/09/906491109.db2.gz OMCOVEKPKLWKFQ-GOSISDBHSA-N 2 2 399.535 3.787 20 0 GHADLP COC(=O)CCCC[C@@H](C)[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001173451704 906491121 /nfs/dbraw/zinc/49/11/21/906491121.db2.gz OMCOVEKPKLWKFQ-GOSISDBHSA-N 2 2 399.535 3.787 20 0 GHADLP C[NH+](C)Cc1ccccc1Nc1cc(I)c2[nH+]ccn2c1 ZINC001173930591 906755154 /nfs/dbraw/zinc/75/51/54/906755154.db2.gz XEBBPXXHVLMTJP-UHFFFAOYSA-N 2 2 392.244 3.744 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629652753 906929697 /nfs/dbraw/zinc/92/96/97/906929697.db2.gz BRRGSYZUWBFCHU-HKUYNNGSSA-N 2 2 380.458 3.507 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629652753 906929732 /nfs/dbraw/zinc/92/97/32/906929732.db2.gz BRRGSYZUWBFCHU-HKUYNNGSSA-N 2 2 380.458 3.507 20 0 GHADLP Fc1ccc(C[NH+]2CCCC2)cc1-c1ccc(NCCCn2cc[nH+]c2)nc1 ZINC000629702991 906971884 /nfs/dbraw/zinc/97/18/84/906971884.db2.gz WCNKIOPJGVJQLE-UHFFFAOYSA-N 2 2 379.483 3.604 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000631655888 907793286 /nfs/dbraw/zinc/79/32/86/907793286.db2.gz KOOUVZQICMRNEF-KNQAVFIVSA-N 2 2 388.515 3.584 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000631655888 907793292 /nfs/dbraw/zinc/79/32/92/907793292.db2.gz KOOUVZQICMRNEF-KNQAVFIVSA-N 2 2 388.515 3.584 20 0 GHADLP C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1cccc(OCC[NH+](C)C)c1 ZINC000186049099 907871739 /nfs/dbraw/zinc/87/17/39/907871739.db2.gz KTNKQGILOKVNFW-GOSISDBHSA-N 2 2 376.504 3.935 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+]3CCN(c4cc[nH+]cc4)C[C@@H]3C)co2)cc1 ZINC001176282607 908013144 /nfs/dbraw/zinc/01/31/44/908013144.db2.gz ZMTAKMBZLRPPNJ-KRWDZBQOSA-N 2 2 378.476 3.846 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+]3CCN(c4cc[nH+]cc4)C[C@@H]3C)co2)cc1 ZINC001176282607 908013161 /nfs/dbraw/zinc/01/31/61/908013161.db2.gz ZMTAKMBZLRPPNJ-KRWDZBQOSA-N 2 2 378.476 3.846 20 0 GHADLP CC[NH+]1CCC(CC2CCN(C(=O)[C@@H]3CCCN(c4cccc[nH+]4)C3)CC2)CC1 ZINC001176965587 908331654 /nfs/dbraw/zinc/33/16/54/908331654.db2.gz QKUIQEFJHYVZKT-JOCHJYFZSA-N 2 2 398.595 3.659 20 0 GHADLP Cn1c[nH+]cc1C1CC[NH+](CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC001176977676 908344764 /nfs/dbraw/zinc/34/47/64/908344764.db2.gz MXWGZYJMWUZRGX-UHFFFAOYSA-N 2 2 388.515 3.829 20 0 GHADLP COc1ccc(C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)cc1O ZINC001177599792 908661914 /nfs/dbraw/zinc/66/19/14/908661914.db2.gz PNTSNDOTLNIBLY-UHFFFAOYSA-N 2 2 387.867 3.620 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(Cl)c2Br)CCCO1 ZINC001178473946 909070889 /nfs/dbraw/zinc/07/08/89/909070889.db2.gz XQDUAUKHUFSNCO-CYBMUJFWSA-N 2 2 375.738 3.693 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(Cl)c2Br)CCCO1 ZINC001178473946 909070912 /nfs/dbraw/zinc/07/09/12/909070912.db2.gz XQDUAUKHUFSNCO-CYBMUJFWSA-N 2 2 375.738 3.693 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]([NH2+]CC[N@@H+]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001178581713 909105257 /nfs/dbraw/zinc/10/52/57/909105257.db2.gz XMSSZKCQKIMXJT-GUDVDZBRSA-N 2 2 379.589 3.734 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]([NH2+]CC[N@H+]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001178581713 909105264 /nfs/dbraw/zinc/10/52/64/909105264.db2.gz XMSSZKCQKIMXJT-GUDVDZBRSA-N 2 2 379.589 3.734 20 0 GHADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCc1ccccc1C[NH+]1CCCCC1 ZINC000635145301 909158625 /nfs/dbraw/zinc/15/86/25/909158625.db2.gz VIRGZFOSLCZKAX-GOSISDBHSA-N 2 2 394.441 3.679 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000635188134 909178674 /nfs/dbraw/zinc/17/86/74/909178674.db2.gz GMSNFAWWDVYQDV-SJORKVTESA-N 2 2 382.430 3.576 20 0 GHADLP COCCOc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC001178800396 909233773 /nfs/dbraw/zinc/23/37/73/909233773.db2.gz AKSHATPLYBVTQM-SEJPIABJSA-N 2 2 384.520 3.980 20 0 GHADLP COCCOc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC001178800396 909233789 /nfs/dbraw/zinc/23/37/89/909233789.db2.gz AKSHATPLYBVTQM-SEJPIABJSA-N 2 2 384.520 3.980 20 0 GHADLP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635474626 909264434 /nfs/dbraw/zinc/26/44/34/909264434.db2.gz XPSCPFUBAKYPRJ-FQEVSTJZSA-N 2 2 386.565 3.966 20 0 GHADLP CC(C)C[C@@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)n1cc[nH+]c1 ZINC000635760260 909342707 /nfs/dbraw/zinc/34/27/07/909342707.db2.gz BXSFRKYOOUOKGK-NRFANRHFSA-N 2 2 383.540 3.630 20 0 GHADLP Cc1ccc(CN2CC[C@H]([NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)C2)cc1 ZINC001179405894 909527817 /nfs/dbraw/zinc/52/78/17/909527817.db2.gz HTAUWVIZDSGREG-QHCPKHFHSA-N 2 2 392.591 3.894 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1c2c(nn1C)CCCC2 ZINC001179498014 909570990 /nfs/dbraw/zinc/57/09/90/909570990.db2.gz VFXKKOBENZUWMD-UHFFFAOYSA-N 2 2 380.540 3.603 20 0 GHADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3csc(Br)c3)cc2)CC1 ZINC000069785377 909740363 /nfs/dbraw/zinc/74/03/63/909740363.db2.gz UQSWSILDSIWHEY-UHFFFAOYSA-N 2 2 394.382 3.548 20 0 GHADLP Cc1cc(C[NH3+])oc1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000638295820 910108259 /nfs/dbraw/zinc/10/82/59/910108259.db2.gz WTDNPBGBCWFOFD-MSOLQXFVSA-N 2 2 393.890 3.793 20 0 GHADLP Cc1cc(C[NH3+])oc1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000638295820 910108264 /nfs/dbraw/zinc/10/82/64/910108264.db2.gz WTDNPBGBCWFOFD-MSOLQXFVSA-N 2 2 393.890 3.793 20 0 GHADLP CN1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C[C@H]1c1ccc(Br)cc1 ZINC000638404613 910148340 /nfs/dbraw/zinc/14/83/40/910148340.db2.gz HLXROECNCHXOQT-MOPGFXCFSA-N 2 2 391.357 3.851 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647900568 915431044 /nfs/dbraw/zinc/43/10/44/915431044.db2.gz DCWDLUGZAIVNFW-PUHATCMVSA-N 2 2 399.579 3.603 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647900568 915431049 /nfs/dbraw/zinc/43/10/49/915431049.db2.gz DCWDLUGZAIVNFW-PUHATCMVSA-N 2 2 399.579 3.603 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3nccc4ccccc43)CC2)cc1 ZINC000648750674 915857993 /nfs/dbraw/zinc/85/79/93/915857993.db2.gz IJASJEFJMRUDBP-UHFFFAOYSA-N 2 2 388.515 3.947 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000649393412 916139063 /nfs/dbraw/zinc/13/90/63/916139063.db2.gz JBVBFFBBTWPPFT-IBGZPJMESA-N 2 2 398.378 3.730 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000649393412 916139067 /nfs/dbraw/zinc/13/90/67/916139067.db2.gz JBVBFFBBTWPPFT-IBGZPJMESA-N 2 2 398.378 3.730 20 0 GHADLP C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000649780553 916396882 /nfs/dbraw/zinc/39/68/82/916396882.db2.gz CPTBPPXAMDZBDI-OXQOHEQNSA-N 2 2 377.492 3.833 20 0 GHADLP CCSc1ccc(Cl)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000361322132 916640505 /nfs/dbraw/zinc/64/05/05/916640505.db2.gz XEHKXFCGJHYRIJ-KRWDZBQOSA-N 2 2 396.000 3.693 20 0 GHADLP CCSc1ccc(Cl)cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000361322132 916640509 /nfs/dbraw/zinc/64/05/09/916640509.db2.gz XEHKXFCGJHYRIJ-KRWDZBQOSA-N 2 2 396.000 3.693 20 0 GHADLP CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650416584 916970167 /nfs/dbraw/zinc/97/01/67/916970167.db2.gz PZQYXHFLJJTWJC-UHFFFAOYSA-N 2 2 387.553 3.625 20 0 GHADLP Nc1nc(Br)ccc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC001190318882 917239816 /nfs/dbraw/zinc/23/98/16/917239816.db2.gz PMFDJTLTBYBDGN-UHFFFAOYSA-N 2 2 381.362 3.514 20 0 GHADLP CCCCC[N@H+](CCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)Cc1ccccc1 ZINC000651223312 917532127 /nfs/dbraw/zinc/53/21/27/917532127.db2.gz AXSJXRQRPWUQKO-OAQYLSRUSA-N 2 2 397.567 3.611 20 0 GHADLP CCCCC[N@@H+](CCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)Cc1ccccc1 ZINC000651223312 917532135 /nfs/dbraw/zinc/53/21/35/917532135.db2.gz AXSJXRQRPWUQKO-OAQYLSRUSA-N 2 2 397.567 3.611 20 0 GHADLP CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000651427029 917606281 /nfs/dbraw/zinc/60/62/81/917606281.db2.gz YUISTGIPWWEKRU-YTFSRNRJSA-N 2 2 398.572 3.623 20 0 GHADLP CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000651427029 917606287 /nfs/dbraw/zinc/60/62/87/917606287.db2.gz YUISTGIPWWEKRU-YTFSRNRJSA-N 2 2 398.572 3.623 20 0 GHADLP CCC[N@H+](C)[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000652092910 917799956 /nfs/dbraw/zinc/79/99/56/917799956.db2.gz XDOXWWPMHKVNCK-LJQANCHMSA-N 2 2 388.943 3.615 20 0 GHADLP CCC[N@@H+](C)[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000652092910 917799967 /nfs/dbraw/zinc/79/99/67/917799967.db2.gz XDOXWWPMHKVNCK-LJQANCHMSA-N 2 2 388.943 3.615 20 0 GHADLP CCC[N@H+](C)[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000652092909 917799994 /nfs/dbraw/zinc/79/99/94/917799994.db2.gz XDOXWWPMHKVNCK-IBGZPJMESA-N 2 2 388.943 3.615 20 0 GHADLP CCC[N@@H+](C)[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000652092909 917800005 /nfs/dbraw/zinc/80/00/05/917800005.db2.gz XDOXWWPMHKVNCK-IBGZPJMESA-N 2 2 388.943 3.615 20 0 GHADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)N1c3ccccc3CCc3ccccc31)C2 ZINC000652352592 917879405 /nfs/dbraw/zinc/87/94/05/917879405.db2.gz CBDVQLFLTJNJHY-RDPSFJRHSA-N 2 2 375.516 3.511 20 0 GHADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1c3ccccc3CCc3ccccc31)C2 ZINC000652352592 917879412 /nfs/dbraw/zinc/87/94/12/917879412.db2.gz CBDVQLFLTJNJHY-RDPSFJRHSA-N 2 2 375.516 3.511 20 0 GHADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2c(F)ccc(Br)c2F)C1 ZINC000652363460 917884895 /nfs/dbraw/zinc/88/48/95/917884895.db2.gz FHWGNJOCINOJIG-RLCCDNCMSA-N 2 2 389.284 3.588 20 0 GHADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2c(F)ccc(Br)c2F)C1 ZINC000652363460 917884905 /nfs/dbraw/zinc/88/49/05/917884905.db2.gz FHWGNJOCINOJIG-RLCCDNCMSA-N 2 2 389.284 3.588 20 0 GHADLP CCC(C)(C)[NH+]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000654023505 918704608 /nfs/dbraw/zinc/70/46/08/918704608.db2.gz WDKSHGQYCGWJCR-UHFFFAOYSA-N 2 2 393.535 3.940 20 0 GHADLP CCc1ccc2[nH+]ccc(N3CCC[N@H+](Cc4nc([C@@H](C)OC)no4)CC3)c2c1 ZINC000297481580 919367766 /nfs/dbraw/zinc/36/77/66/919367766.db2.gz LSJHJEUKJAGALB-MRXNPFEDSA-N 2 2 395.507 3.600 20 0 GHADLP CCc1ccc2[nH+]ccc(N3CCC[N@@H+](Cc4nc([C@@H](C)OC)no4)CC3)c2c1 ZINC000297481580 919367776 /nfs/dbraw/zinc/36/77/76/919367776.db2.gz LSJHJEUKJAGALB-MRXNPFEDSA-N 2 2 395.507 3.600 20 0 GHADLP Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)C2=O)cc1 ZINC000800404591 920037165 /nfs/dbraw/zinc/03/71/65/920037165.db2.gz ODSFNCXUEUVHPH-DENIHFKCSA-N 2 2 392.547 3.903 20 0 GHADLP Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)C2=O)cc1 ZINC000800404591 920037182 /nfs/dbraw/zinc/03/71/82/920037182.db2.gz ODSFNCXUEUVHPH-DENIHFKCSA-N 2 2 392.547 3.903 20 0 GHADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccncc2OC[C@@H]2CCOC2)CC1 ZINC000367579732 922211699 /nfs/dbraw/zinc/21/16/99/922211699.db2.gz HMGKJHFUAJZRIJ-KNKQGSTJSA-N 2 2 387.568 3.630 20 0 GHADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469445 922219917 /nfs/dbraw/zinc/21/99/17/922219917.db2.gz QTMJLEFIYFMJPU-SQWGHXPGSA-N 2 2 375.822 3.558 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000802864478 922486087 /nfs/dbraw/zinc/48/60/87/922486087.db2.gz FCMRFGVPLHWHHH-GSPCLOLRSA-N 2 2 383.580 3.586 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000802864478 922486099 /nfs/dbraw/zinc/48/60/99/922486099.db2.gz FCMRFGVPLHWHHH-GSPCLOLRSA-N 2 2 383.580 3.586 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cn(-c3cccc(Cl)c3Cl)nn1)CCC2 ZINC000677244490 924297209 /nfs/dbraw/zinc/29/72/09/924297209.db2.gz BXVBWJREGSQKGL-CYBMUJFWSA-N 2 2 391.306 3.746 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C[N@@H+]1Cc1ccccc1 ZINC000677748656 924477341 /nfs/dbraw/zinc/47/73/41/924477341.db2.gz BXBNSCRCCXHCDH-HSZRJFAPSA-N 2 2 391.559 3.952 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C[N@H+]1Cc1ccccc1 ZINC000677748656 924477349 /nfs/dbraw/zinc/47/73/49/924477349.db2.gz BXBNSCRCCXHCDH-HSZRJFAPSA-N 2 2 391.559 3.952 20 0 GHADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000677804575 924504464 /nfs/dbraw/zinc/50/44/64/924504464.db2.gz HDLCLMPXMJSFFP-GHTZIAJQSA-N 2 2 375.520 3.971 20 0 GHADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000677804575 924504473 /nfs/dbraw/zinc/50/44/73/924504473.db2.gz HDLCLMPXMJSFFP-GHTZIAJQSA-N 2 2 375.520 3.971 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000371300302 924515170 /nfs/dbraw/zinc/51/51/70/924515170.db2.gz OEATYVHSJSRSOL-VJBWXMMDSA-N 2 2 393.531 3.622 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000371300302 924515180 /nfs/dbraw/zinc/51/51/80/924515180.db2.gz OEATYVHSJSRSOL-VJBWXMMDSA-N 2 2 393.531 3.622 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3csc(Cc4ccccc4)n3)CC2)CC1 ZINC000371348428 924538458 /nfs/dbraw/zinc/53/84/58/924538458.db2.gz ATJBFNYBCINTIE-UHFFFAOYSA-N 2 2 398.620 3.724 20 0 GHADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH+]3Cc3ccccn3)c2C1 ZINC000678210976 924665705 /nfs/dbraw/zinc/66/57/05/924665705.db2.gz AKNIHRRBUVYLOT-JOCHJYFZSA-N 2 2 378.520 3.656 20 0 GHADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH+]3Cc3ccccn3)c2C1 ZINC000678210976 924665707 /nfs/dbraw/zinc/66/57/07/924665707.db2.gz AKNIHRRBUVYLOT-JOCHJYFZSA-N 2 2 378.520 3.656 20 0 GHADLP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)c2C1 ZINC000678210976 924665710 /nfs/dbraw/zinc/66/57/10/924665710.db2.gz AKNIHRRBUVYLOT-JOCHJYFZSA-N 2 2 378.520 3.656 20 0 GHADLP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)c2C1 ZINC000678210976 924665714 /nfs/dbraw/zinc/66/57/14/924665714.db2.gz AKNIHRRBUVYLOT-JOCHJYFZSA-N 2 2 378.520 3.656 20 0 GHADLP Fc1cccc([C@@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCO2)c1 ZINC000678235023 924679877 /nfs/dbraw/zinc/67/98/77/924679877.db2.gz BRJYSYGGAYXWBZ-QHCPKHFHSA-N 2 2 384.495 3.874 20 0 GHADLP Fc1cccc([C@@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCO2)c1 ZINC000678235023 924679882 /nfs/dbraw/zinc/67/98/82/924679882.db2.gz BRJYSYGGAYXWBZ-QHCPKHFHSA-N 2 2 384.495 3.874 20 0 GHADLP Cc1ccc([C@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c(C)n1 ZINC000678414586 924761303 /nfs/dbraw/zinc/76/13/03/924761303.db2.gz VARDUDDKQOJOTA-NRFANRHFSA-N 2 2 380.580 3.947 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)c(C)c1 ZINC000678603965 924836978 /nfs/dbraw/zinc/83/69/78/924836978.db2.gz RBUVNFGWLAQDEE-GCJKJVERSA-N 2 2 387.491 3.568 20 0 GHADLP CCCc1occc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000409852521 925068010 /nfs/dbraw/zinc/06/80/10/925068010.db2.gz HLVYBLYYNOAVKW-VQTJNVASSA-N 2 2 375.557 3.641 20 0 GHADLP CCCc1occc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000409852521 925068018 /nfs/dbraw/zinc/06/80/18/925068018.db2.gz HLVYBLYYNOAVKW-VQTJNVASSA-N 2 2 375.557 3.641 20 0 GHADLP COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCN2C2CC2)c1 ZINC000679361206 925108811 /nfs/dbraw/zinc/10/88/11/925108811.db2.gz MVUXAZKYFYDNMQ-BJKOFHAPSA-N 2 2 388.515 3.949 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000680328083 925445073 /nfs/dbraw/zinc/44/50/73/925445073.db2.gz AFMRWINZBNNPSR-KBPBESRZSA-N 2 2 378.320 3.748 20 0 GHADLP CC(C)CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000681216849 925764987 /nfs/dbraw/zinc/76/49/87/925764987.db2.gz ADEKTATUCLKTHK-WOJBJXKFSA-N 2 2 380.621 3.647 20 0 GHADLP CC(C)CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000681216849 925764990 /nfs/dbraw/zinc/76/49/90/925764990.db2.gz ADEKTATUCLKTHK-WOJBJXKFSA-N 2 2 380.621 3.647 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C34CC5(C)CC(C)(CC(C)(C5)C3)C4)C2)CC1 ZINC000681231228 925767952 /nfs/dbraw/zinc/76/79/52/925767952.db2.gz FHMRMGOKBBCVPC-NDNARDSPSA-N 2 2 387.612 3.658 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C34CC5(C)CC(C)(CC(C)(C5)C3)C4)C2)CC1 ZINC000681231228 925767959 /nfs/dbraw/zinc/76/79/59/925767959.db2.gz FHMRMGOKBBCVPC-NDNARDSPSA-N 2 2 387.612 3.658 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000373111563 925866963 /nfs/dbraw/zinc/86/69/63/925866963.db2.gz LSTVHZQAFOQENE-CQSZACIVSA-N 2 2 391.397 3.869 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000373111563 925866968 /nfs/dbraw/zinc/86/69/68/925866968.db2.gz LSTVHZQAFOQENE-CQSZACIVSA-N 2 2 391.397 3.869 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1C ZINC000726249867 926610790 /nfs/dbraw/zinc/61/07/90/926610790.db2.gz NNETXCYAIQDBSS-OAQYLSRUSA-N 2 2 396.535 3.652 20 0 GHADLP CC(C)[NH2+]C1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000374324742 927019371 /nfs/dbraw/zinc/01/93/71/927019371.db2.gz CBTBUDAVQXVJRH-UHFFFAOYSA-N 2 2 379.508 3.596 20 0 GHADLP CC(C)Cc1c[nH]c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000412207023 927208877 /nfs/dbraw/zinc/20/88/77/927208877.db2.gz BBLYCEROYZXNJJ-FGZHOGPDSA-N 2 2 388.600 3.622 20 0 GHADLP CC(C)Cc1c[nH]c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000412207023 927208889 /nfs/dbraw/zinc/20/88/89/927208889.db2.gz BBLYCEROYZXNJJ-FGZHOGPDSA-N 2 2 388.600 3.622 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1=S ZINC000749800195 927279206 /nfs/dbraw/zinc/27/92/06/927279206.db2.gz QMQACUUADUXSPT-KURKYZTESA-N 2 2 395.617 3.543 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1=S ZINC000749800195 927279223 /nfs/dbraw/zinc/27/92/23/927279223.db2.gz QMQACUUADUXSPT-KURKYZTESA-N 2 2 395.617 3.543 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000751083788 928020110 /nfs/dbraw/zinc/02/01/10/928020110.db2.gz DEPOUXQAUFXRHB-XLIONFOSSA-N 2 2 396.535 3.559 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000751083788 928020117 /nfs/dbraw/zinc/02/01/17/928020117.db2.gz DEPOUXQAUFXRHB-XLIONFOSSA-N 2 2 396.535 3.559 20 0 GHADLP COCCOc1ccccc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000751506458 928228628 /nfs/dbraw/zinc/22/86/28/928228628.db2.gz LXDUKSHILCCRCL-UHFFFAOYSA-N 2 2 383.536 3.536 20 0 GHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543965087 928628686 /nfs/dbraw/zinc/62/86/86/928628686.db2.gz BEQHVKKPNIBPLS-HXUWFJFHSA-N 2 2 399.539 3.515 20 0 GHADLP O=C1[C@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCCN1c1ccccc1F ZINC000543989345 928654940 /nfs/dbraw/zinc/65/49/40/928654940.db2.gz DSEPYQTZLRTCDY-OAQYLSRUSA-N 2 2 384.499 3.710 20 0 GHADLP CN(C(=O)Nc1cccc(Cl)n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000752696324 928986138 /nfs/dbraw/zinc/98/61/38/928986138.db2.gz LRVHSEMKVVIRMI-SJORKVTESA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1cccc(Cl)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000752696324 928986151 /nfs/dbraw/zinc/98/61/51/928986151.db2.gz LRVHSEMKVVIRMI-SJORKVTESA-N 2 2 393.963 3.536 20 0 GHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCC[NH+]3CCCC[C@H]3C)c2C1 ZINC000544734729 929513795 /nfs/dbraw/zinc/51/37/95/929513795.db2.gz BABUOKLJLHZGMG-GOSISDBHSA-N 2 2 394.563 3.607 20 0 GHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCC[NH+]3CCCC[C@H]3C)c2C1 ZINC000544734729 929513806 /nfs/dbraw/zinc/51/38/06/929513806.db2.gz BABUOKLJLHZGMG-GOSISDBHSA-N 2 2 394.563 3.607 20 0 GHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c2C1 ZINC000544734729 929513817 /nfs/dbraw/zinc/51/38/17/929513817.db2.gz BABUOKLJLHZGMG-GOSISDBHSA-N 2 2 394.563 3.607 20 0 GHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NCCC[N@H+]3CCCC[C@H]3C)c2C1 ZINC000544734729 929513830 /nfs/dbraw/zinc/51/38/30/929513830.db2.gz BABUOKLJLHZGMG-GOSISDBHSA-N 2 2 394.563 3.607 20 0 GHADLP Cn1cc(-c2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)on2)cn1 ZINC000546681924 930354815 /nfs/dbraw/zinc/35/48/15/930354815.db2.gz AROCJTWMXOMIHD-HSZRJFAPSA-N 2 2 391.519 3.563 20 0 GHADLP Cn1cc(-c2cc(C[N@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)on2)cn1 ZINC000546681924 930354820 /nfs/dbraw/zinc/35/48/20/930354820.db2.gz AROCJTWMXOMIHD-HSZRJFAPSA-N 2 2 391.519 3.563 20 0 GHADLP Cn1cc(-c2cc(C[NH+]3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)on2)cn1 ZINC000546681924 930354825 /nfs/dbraw/zinc/35/48/25/930354825.db2.gz AROCJTWMXOMIHD-HSZRJFAPSA-N 2 2 391.519 3.563 20 0 GHADLP Cn1cc(-c2cc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)on2)cn1 ZINC000546681924 930354852 /nfs/dbraw/zinc/35/48/52/930354852.db2.gz AROCJTWMXOMIHD-HSZRJFAPSA-N 2 2 391.519 3.563 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000547509031 931081038 /nfs/dbraw/zinc/08/10/38/931081038.db2.gz RYMHIGABPMNQKP-PGRDOPGGSA-N 2 2 381.520 3.524 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000547509031 931081049 /nfs/dbraw/zinc/08/10/49/931081049.db2.gz RYMHIGABPMNQKP-PGRDOPGGSA-N 2 2 381.520 3.524 20 0 GHADLP CC(C)[C@@H](C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)N1CC[NH+](C)CC1 ZINC000924630520 931455369 /nfs/dbraw/zinc/45/53/69/931455369.db2.gz FUCWORYWBSJMTJ-YADHBBJMSA-N 2 2 386.971 3.686 20 0 GHADLP OC1CC[NH+](CCC[NH2+][C@@H](Cc2ccc(F)cc2Cl)c2ccco2)CC1 ZINC000924753483 931525193 /nfs/dbraw/zinc/52/51/93/931525193.db2.gz FNEXHHAWBWWGPV-IBGZPJMESA-N 2 2 380.891 3.792 20 0 GHADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1csc(C(F)(F)F)c1 ZINC000924809069 931546371 /nfs/dbraw/zinc/54/63/71/931546371.db2.gz YADJOEPATNNTFP-ZDUSSCGKSA-N 2 2 384.471 3.765 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CCCc3oc(C)nc32)CC1 ZINC000924963329 931596654 /nfs/dbraw/zinc/59/66/54/931596654.db2.gz XKZSCUKFKCTCKI-KXBFYZLASA-N 2 2 386.515 3.992 20 0 GHADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C1(Br)CC1 ZINC000925109794 931650082 /nfs/dbraw/zinc/65/00/82/931650082.db2.gz FWLOUHIVEVSVMY-JKSUJKDBSA-N 2 2 381.358 3.792 20 0 GHADLP CCc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2cccnc2)cc1 ZINC000925560111 931823219 /nfs/dbraw/zinc/82/32/19/931823219.db2.gz YMZJWRPNXGUQGH-SMIHKQSGSA-N 2 2 379.548 3.701 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(OC(F)F)cc1OC(F)F ZINC000925779786 931901665 /nfs/dbraw/zinc/90/16/65/931901665.db2.gz PKRHUHYQJDBXPS-UWVGGRQHSA-N 2 2 386.336 3.785 20 0 GHADLP CC[C@@H]1C[C@@H](C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCO1 ZINC000558422035 931995305 /nfs/dbraw/zinc/99/53/05/931995305.db2.gz HCJULSDFMBSSAI-JKSUJKDBSA-N 2 2 396.329 3.946 20 0 GHADLP CC[C@@H]1C[C@@H](C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCO1 ZINC000558422035 931995308 /nfs/dbraw/zinc/99/53/08/931995308.db2.gz HCJULSDFMBSSAI-JKSUJKDBSA-N 2 2 396.329 3.946 20 0 GHADLP COC(=O)Nc1cccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000797077520 932171992 /nfs/dbraw/zinc/17/19/92/932171992.db2.gz UJLOMTNOLNLNHL-UHFFFAOYSA-N 2 2 382.508 3.690 20 0 GHADLP C[C@H]1Cc2ccccc2N1C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000558736817 932203034 /nfs/dbraw/zinc/20/30/34/932203034.db2.gz VLGZSCRDFIYDOT-CVDCTZTESA-N 2 2 391.559 3.855 20 0 GHADLP C[C@H]1Cc2ccccc2N1C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000558736817 932203037 /nfs/dbraw/zinc/20/30/37/932203037.db2.gz VLGZSCRDFIYDOT-CVDCTZTESA-N 2 2 391.559 3.855 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3cccc4c3OCO4)CC2)cc1 ZINC000926526903 932216909 /nfs/dbraw/zinc/21/69/09/932216909.db2.gz GKMNDKNMJHHDPM-INIZCTEOSA-N 2 2 395.503 3.689 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4nc5c(s4)COCC5)[C@@H]3C2)cc1 ZINC000927122995 932421864 /nfs/dbraw/zinc/42/18/64/932421864.db2.gz YZXMKSUGPNZHAR-IPMKNSEASA-N 2 2 383.561 3.606 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4nc5c(s4)COCC5)[C@@H]3C2)cc1 ZINC000927122995 932421870 /nfs/dbraw/zinc/42/18/70/932421870.db2.gz YZXMKSUGPNZHAR-IPMKNSEASA-N 2 2 383.561 3.606 20 0 GHADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000798182492 932554568 /nfs/dbraw/zinc/55/45/68/932554568.db2.gz IVIPBZHXMGQOSC-QGZVFWFLSA-N 2 2 397.629 3.583 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)c1OC ZINC000560536620 933322860 /nfs/dbraw/zinc/32/28/60/933322860.db2.gz OOKDWDQDXIWUME-FPOVZHCZSA-N 2 2 398.547 3.954 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)c1OC ZINC000560536620 933322870 /nfs/dbraw/zinc/32/28/70/933322870.db2.gz OOKDWDQDXIWUME-FPOVZHCZSA-N 2 2 398.547 3.954 20 0 GHADLP COc1ccc(C(=O)CCCCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001116576485 933643484 /nfs/dbraw/zinc/64/34/84/933643484.db2.gz BAAAMYPATVSJNP-UHFFFAOYSA-N 2 2 392.459 3.966 20 0 GHADLP CC[N@@H+]1CCN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)[C@H](C)C1 ZINC000561356993 934078124 /nfs/dbraw/zinc/07/81/24/934078124.db2.gz LXWSOWSHSBJBAF-MRXNPFEDSA-N 2 2 395.576 3.950 20 0 GHADLP CC[N@H+]1CCN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)[C@H](C)C1 ZINC000561356993 934078135 /nfs/dbraw/zinc/07/81/35/934078135.db2.gz LXWSOWSHSBJBAF-MRXNPFEDSA-N 2 2 395.576 3.950 20 0 GHADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000930555397 934099875 /nfs/dbraw/zinc/09/98/75/934099875.db2.gz NEJQCXBPZQGDQX-SFHVURJKSA-N 2 2 393.535 3.797 20 0 GHADLP C[NH+](C/C=C\C[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1)Cc1cc(C(C)(C)C)n[nH]1 ZINC001118580285 934203158 /nfs/dbraw/zinc/20/31/58/934203158.db2.gz JOUHTSUHEBIFCF-KTKRTIGZSA-N 2 2 386.588 3.848 20 0 GHADLP C[NH+](C/C=C\C[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1)Cc1cc(C(C)(C)C)n[nH]1 ZINC001118580285 934203165 /nfs/dbraw/zinc/20/31/65/934203165.db2.gz JOUHTSUHEBIFCF-KTKRTIGZSA-N 2 2 386.588 3.848 20 0 GHADLP Fc1ccc(CC[NH+]2CCC(Nc3ccc(Cn4cc[nH+]c4)cn3)CC2)cc1 ZINC000561973746 934596994 /nfs/dbraw/zinc/59/69/94/934596994.db2.gz FGZQMAFZIZUTJE-UHFFFAOYSA-N 2 2 379.483 3.585 20 0 GHADLP CCC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001137819451 935807009 /nfs/dbraw/zinc/80/70/09/935807009.db2.gz UUYWOTJDHIYFQJ-HSZRJFAPSA-N 2 2 388.515 3.999 20 0 GHADLP CCC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001137819451 935807011 /nfs/dbraw/zinc/80/70/11/935807011.db2.gz UUYWOTJDHIYFQJ-HSZRJFAPSA-N 2 2 388.515 3.999 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c(F)ccc(F)c1F)CC2 ZINC001137928253 935874536 /nfs/dbraw/zinc/87/45/36/935874536.db2.gz KTEKDCCJLYUKFX-HNNXBMFYSA-N 2 2 394.437 3.952 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c(F)ccc(F)c1F)CC2 ZINC001137928253 935874539 /nfs/dbraw/zinc/87/45/39/935874539.db2.gz KTEKDCCJLYUKFX-HNNXBMFYSA-N 2 2 394.437 3.952 20 0 GHADLP Fc1ccc(F)c(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1F ZINC001137929600 935875754 /nfs/dbraw/zinc/87/57/54/935875754.db2.gz WHGVRRKEFFOTAK-UHFFFAOYSA-N 2 2 375.438 3.987 20 0 GHADLP Fc1ccc(F)c(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1F ZINC001137929600 935875758 /nfs/dbraw/zinc/87/57/58/935875758.db2.gz WHGVRRKEFFOTAK-UHFFFAOYSA-N 2 2 375.438 3.987 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc(C(F)(F)F)c4F)C[C@H]3C2)cn1 ZINC001138009747 935924939 /nfs/dbraw/zinc/92/49/39/935924939.db2.gz GLQBTFDYVOSZKX-NVXWUHKLSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc(C(F)(F)F)c4F)C[C@H]3C2)cn1 ZINC001138009747 935924941 /nfs/dbraw/zinc/92/49/41/935924941.db2.gz GLQBTFDYVOSZKX-NVXWUHKLSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc(C(F)(F)F)c4F)C[C@H]3C2)cn1 ZINC001138009747 935924943 /nfs/dbraw/zinc/92/49/43/935924943.db2.gz GLQBTFDYVOSZKX-NVXWUHKLSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc(C(F)(F)F)c4F)C[C@H]3C2)cn1 ZINC001138009747 935924947 /nfs/dbraw/zinc/92/49/47/935924947.db2.gz GLQBTFDYVOSZKX-NVXWUHKLSA-N 2 2 396.432 3.532 20 0 GHADLP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)cnn1C(C)C ZINC000468830280 1016084387 /nfs/dbraw/zinc/08/43/87/1016084387.db2.gz DJVGQAZBEYFTAU-HXUWFJFHSA-N 2 2 383.584 3.944 20 0 GHADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)C1 ZINC000545866199 1016544583 /nfs/dbraw/zinc/54/45/83/1016544583.db2.gz SDIWUJWGMXNAGT-UYAOXDASSA-N 2 2 396.865 3.687 20 0 GHADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)C1 ZINC000545866199 1016544596 /nfs/dbraw/zinc/54/45/96/1016544596.db2.gz SDIWUJWGMXNAGT-UYAOXDASSA-N 2 2 396.865 3.687 20 0 GHADLP Cc1c(C)n(Cc2ccccc2)c2ncnc(-n3c[nH+]cc3C3CC[NH2+]CC3)c12 ZINC001155063450 1032398597 /nfs/dbraw/zinc/39/85/97/1032398597.db2.gz BDBJTRNUOJLGDR-UHFFFAOYSA-N 2 2 386.503 3.749 20 0 GHADLP CSCc1cc[nH+]c(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155361119 1032519222 /nfs/dbraw/zinc/51/92/22/1032519222.db2.gz JKOGAWAHNJOXPX-OAQYLSRUSA-N 3 2 396.604 3.858 20 0 GHADLP CSCc1cc[nH+]c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155361119 1032519228 /nfs/dbraw/zinc/51/92/28/1032519228.db2.gz JKOGAWAHNJOXPX-OAQYLSRUSA-N 3 2 396.604 3.858 20 0 GHADLP Cc1ccc2c(c1)[C@@H](Nc1cc(N3CCCCC3)nc[nH+]1)CC21CC[NH2+]CC1 ZINC001155444666 1032545089 /nfs/dbraw/zinc/54/50/89/1032545089.db2.gz TTXVEVMYSHXEHB-FQEVSTJZSA-N 2 2 377.536 3.953 20 0 GHADLP Cc1ccc2c(c1)[C@@H](Nc1cc(N3CCCCC3)[nH+]cn1)CC21CC[NH2+]CC1 ZINC001155444666 1032545095 /nfs/dbraw/zinc/54/50/95/1032545095.db2.gz TTXVEVMYSHXEHB-FQEVSTJZSA-N 2 2 377.536 3.953 20 0 GHADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926557423 1017283314 /nfs/dbraw/zinc/28/33/14/1017283314.db2.gz BLUKLJZWOKGYEB-BHGTWAMESA-N 2 2 392.547 3.892 20 0 GHADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926557423 1017283325 /nfs/dbraw/zinc/28/33/25/1017283325.db2.gz BLUKLJZWOKGYEB-BHGTWAMESA-N 2 2 392.547 3.892 20 0 GHADLP COc1cccc(OC)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001204252319 1032694143 /nfs/dbraw/zinc/69/41/43/1032694143.db2.gz XSVINKQPJHIWMH-DWLFOUALSA-N 2 2 395.547 3.831 20 0 GHADLP COc1cccc(OC)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001204252319 1032694157 /nfs/dbraw/zinc/69/41/57/1032694157.db2.gz XSVINKQPJHIWMH-DWLFOUALSA-N 2 2 395.547 3.831 20 0 GHADLP COc1cccc(OC)c1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001204252319 1032694171 /nfs/dbraw/zinc/69/41/71/1032694171.db2.gz XSVINKQPJHIWMH-DWLFOUALSA-N 2 2 395.547 3.831 20 0 GHADLP COc1cccc(OC)c1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001204252319 1032694182 /nfs/dbraw/zinc/69/41/82/1032694182.db2.gz XSVINKQPJHIWMH-DWLFOUALSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c(OC)c1C ZINC001204260973 1032704670 /nfs/dbraw/zinc/70/46/70/1032704670.db2.gz YWGUXIYYTOTSNP-VXKWHMMOSA-N 2 2 380.532 3.884 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001204266191 1032708838 /nfs/dbraw/zinc/70/88/38/1032708838.db2.gz UJQXGSDRWQOLPE-SFTDATJTSA-N 3 2 399.604 3.642 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC([NH2+]C4CCC4)CC3)n2)C1 ZINC000929332219 1017667547 /nfs/dbraw/zinc/66/75/47/1017667547.db2.gz OHJWFSNGNRWKPC-OAHLLOKOSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC([NH2+]C4CCC4)CC3)n2)C1 ZINC000929332219 1017667555 /nfs/dbraw/zinc/66/75/55/1017667555.db2.gz OHJWFSNGNRWKPC-OAHLLOKOSA-N 2 2 391.585 3.513 20 0 GHADLP COc1cc2c(cc1O[C@@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C=[NH+]CC2 ZINC001228092929 1032774486 /nfs/dbraw/zinc/77/44/86/1032774486.db2.gz VFHVPAISLIIDDS-KSEOMHKRSA-N 2 2 376.500 3.960 20 0 GHADLP COc1cc2c(cc1O[C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C=[NH+]CC2 ZINC001228092929 1032774497 /nfs/dbraw/zinc/77/44/97/1032774497.db2.gz VFHVPAISLIIDDS-KSEOMHKRSA-N 2 2 376.500 3.960 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000566438105 1019227837 /nfs/dbraw/zinc/22/78/37/1019227837.db2.gz XEKBIEBNNKHFLJ-LJQANCHMSA-N 2 2 388.515 3.556 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000566438105 1019227843 /nfs/dbraw/zinc/22/78/43/1019227843.db2.gz XEKBIEBNNKHFLJ-LJQANCHMSA-N 2 2 388.515 3.556 20 0 GHADLP COc1cc2c(cc1C[N@H+](C)[C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)OCO2 ZINC000570372514 1019594335 /nfs/dbraw/zinc/59/43/35/1019594335.db2.gz COVSAKYKJYQDEG-PXNSSMCTSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc2c(cc1C[N@@H+](C)[C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)OCO2 ZINC000570372514 1019594347 /nfs/dbraw/zinc/59/43/47/1019594347.db2.gz COVSAKYKJYQDEG-PXNSSMCTSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc2c(cc1C[NH+](C)[C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)OCO2 ZINC000570372514 1019594358 /nfs/dbraw/zinc/59/43/58/1019594358.db2.gz COVSAKYKJYQDEG-PXNSSMCTSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc2c(cc1C[NH+](C)[C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)OCO2 ZINC000570372514 1019594363 /nfs/dbraw/zinc/59/43/63/1019594363.db2.gz COVSAKYKJYQDEG-PXNSSMCTSA-N 2 2 382.504 3.909 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)C1 ZINC001204418023 1032848160 /nfs/dbraw/zinc/84/81/60/1032848160.db2.gz KUIMRGSZEBKUHZ-KRWDZBQOSA-N 2 2 396.478 3.528 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)C1 ZINC001204418023 1032848179 /nfs/dbraw/zinc/84/81/79/1032848179.db2.gz KUIMRGSZEBKUHZ-KRWDZBQOSA-N 2 2 396.478 3.528 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)C1 ZINC001204418025 1032848997 /nfs/dbraw/zinc/84/89/97/1032848997.db2.gz KUIMRGSZEBKUHZ-QGZVFWFLSA-N 2 2 396.478 3.528 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)C1 ZINC001204418025 1032849004 /nfs/dbraw/zinc/84/90/04/1032849004.db2.gz KUIMRGSZEBKUHZ-QGZVFWFLSA-N 2 2 396.478 3.528 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2)s1 ZINC000577304824 1020163642 /nfs/dbraw/zinc/16/36/42/1020163642.db2.gz MGKBCCPPXUDSPX-HKJQZYRSSA-N 2 2 391.625 3.751 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2)s1 ZINC000577304824 1020163651 /nfs/dbraw/zinc/16/36/51/1020163651.db2.gz MGKBCCPPXUDSPX-HKJQZYRSSA-N 2 2 391.625 3.751 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2)s1 ZINC000577304824 1020163658 /nfs/dbraw/zinc/16/36/58/1020163658.db2.gz MGKBCCPPXUDSPX-HKJQZYRSSA-N 2 2 391.625 3.751 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2)s1 ZINC000577304824 1020163665 /nfs/dbraw/zinc/16/36/65/1020163665.db2.gz MGKBCCPPXUDSPX-HKJQZYRSSA-N 2 2 391.625 3.751 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)Cc1ccccc1C(F)(F)F ZINC000577365399 1020177059 /nfs/dbraw/zinc/17/70/59/1020177059.db2.gz UCZRBRQKCUXWQN-LJQANCHMSA-N 2 2 389.421 3.643 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000600960326 1020286553 /nfs/dbraw/zinc/28/65/53/1020286553.db2.gz VNWQAXQXRMCCMG-ACZWYYKOSA-N 2 2 377.960 3.807 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000600960326 1020286564 /nfs/dbraw/zinc/28/65/64/1020286564.db2.gz VNWQAXQXRMCCMG-ACZWYYKOSA-N 2 2 377.960 3.807 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000048680945 1020351503 /nfs/dbraw/zinc/35/15/03/1020351503.db2.gz PQXNFTDGHVVTKK-UHFFFAOYSA-N 2 2 388.313 3.628 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(F)c(C(F)(F)F)c4)C[C@@H]3C2)cn1 ZINC001204482028 1032917150 /nfs/dbraw/zinc/91/71/50/1032917150.db2.gz DAQQJNUCXPVEBZ-SJORKVTESA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(F)c(C(F)(F)F)c4)C[C@@H]3C2)cn1 ZINC001204482028 1032917154 /nfs/dbraw/zinc/91/71/54/1032917154.db2.gz DAQQJNUCXPVEBZ-SJORKVTESA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(F)c(C(F)(F)F)c4)C[C@@H]3C2)cn1 ZINC001204482028 1032917158 /nfs/dbraw/zinc/91/71/58/1032917158.db2.gz DAQQJNUCXPVEBZ-SJORKVTESA-N 2 2 396.432 3.532 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000834586138 1021283416 /nfs/dbraw/zinc/28/34/16/1021283416.db2.gz ZBEHTNKRKWRKAN-QORCZRPOSA-N 3 2 397.607 3.663 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]Cc2ncnn2C(C)(C)C)cc1C[NH+]1CCCCC1 ZINC000800500751 1021309409 /nfs/dbraw/zinc/30/94/09/1021309409.db2.gz XOTORAYBHCRXCE-QGZVFWFLSA-N 2 2 385.556 3.878 20 0 GHADLP Cc1c[nH+]c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1N1CCCC1 ZINC001156315114 1032976512 /nfs/dbraw/zinc/97/65/12/1032976512.db2.gz JUELXQCHSYRYSD-PWRODBHTSA-N 2 2 377.536 3.708 20 0 GHADLP Cc1c[nH+]c(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1N1CCCC1 ZINC001156315114 1032976515 /nfs/dbraw/zinc/97/65/15/1032976515.db2.gz JUELXQCHSYRYSD-PWRODBHTSA-N 2 2 377.536 3.708 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2c[nH]c3ncc(Br)cc23)C1 ZINC001140460474 1021750298 /nfs/dbraw/zinc/75/02/98/1021750298.db2.gz DAADVKBKLKOCFB-HNNXBMFYSA-N 2 2 387.281 3.682 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2c[nH]c3ncc(Br)cc23)C1 ZINC001140460474 1021750312 /nfs/dbraw/zinc/75/03/12/1021750312.db2.gz DAADVKBKLKOCFB-HNNXBMFYSA-N 2 2 387.281 3.682 20 0 GHADLP C[N@H+](Cc1ccccc1)C1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC001140492707 1021834189 /nfs/dbraw/zinc/83/41/89/1021834189.db2.gz NJJTXQWYZMUICU-HSZRJFAPSA-N 2 2 395.522 3.523 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC001140492707 1021834205 /nfs/dbraw/zinc/83/42/05/1021834205.db2.gz NJJTXQWYZMUICU-HSZRJFAPSA-N 2 2 395.522 3.523 20 0 GHADLP C[NH+](Cc1ccccc1)C1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC001140492707 1021834224 /nfs/dbraw/zinc/83/42/24/1021834224.db2.gz NJJTXQWYZMUICU-HSZRJFAPSA-N 2 2 395.522 3.523 20 0 GHADLP C[NH+](Cc1ccccc1)C1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC001140492707 1021834244 /nfs/dbraw/zinc/83/42/44/1021834244.db2.gz NJJTXQWYZMUICU-HSZRJFAPSA-N 2 2 395.522 3.523 20 0 GHADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(Br)ccc3Br)C[C@@H]2C1 ZINC001140631543 1022114336 /nfs/dbraw/zinc/11/43/36/1022114336.db2.gz SJVTVVRISYQICB-YPMHNXCESA-N 2 2 388.147 3.595 20 0 GHADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(Br)ccc3Br)C[C@@H]2C1 ZINC001140631543 1022114339 /nfs/dbraw/zinc/11/43/39/1022114339.db2.gz SJVTVVRISYQICB-YPMHNXCESA-N 2 2 388.147 3.595 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(Br)ccc3Br)C[C@@H]2C1 ZINC001140631543 1022114341 /nfs/dbraw/zinc/11/43/41/1022114341.db2.gz SJVTVVRISYQICB-YPMHNXCESA-N 2 2 388.147 3.595 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3Br)C[C@@H]2C1 ZINC001140631543 1022114347 /nfs/dbraw/zinc/11/43/47/1022114347.db2.gz SJVTVVRISYQICB-YPMHNXCESA-N 2 2 388.147 3.595 20 0 GHADLP COC(=O)Cc1ccccc1C[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001140654075 1022170170 /nfs/dbraw/zinc/17/01/70/1022170170.db2.gz PTVZVLLTIXTCOH-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP COC(=O)Cc1ccccc1C[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001140654075 1022170198 /nfs/dbraw/zinc/17/01/98/1022170198.db2.gz PTVZVLLTIXTCOH-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP C[N@H+](Cc1ccccc1CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC000681552032 1022305429 /nfs/dbraw/zinc/30/54/29/1022305429.db2.gz RBIGOZPCDLXTJJ-FQEVSTJZSA-N 2 2 380.536 3.526 20 0 GHADLP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC000681552032 1022305440 /nfs/dbraw/zinc/30/54/40/1022305440.db2.gz RBIGOZPCDLXTJJ-FQEVSTJZSA-N 2 2 380.536 3.526 20 0 GHADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1csc2ccccc21 ZINC000754735603 1022869146 /nfs/dbraw/zinc/86/91/46/1022869146.db2.gz VCTUQJHRSYSGDB-KRWDZBQOSA-N 2 2 394.544 3.686 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccccn4)s3)CC2)C1 ZINC001141006922 1023178637 /nfs/dbraw/zinc/17/86/37/1023178637.db2.gz PLHZWWIXNXMFFT-QGZVFWFLSA-N 2 2 399.560 3.660 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(-c4ccccn4)s3)CC2)C1 ZINC001141006922 1023178642 /nfs/dbraw/zinc/17/86/42/1023178642.db2.gz PLHZWWIXNXMFFT-QGZVFWFLSA-N 2 2 399.560 3.660 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3nc(CCc4ccccc4)oc3=S)C2)CC1 ZINC000755780196 1023374308 /nfs/dbraw/zinc/37/43/08/1023374308.db2.gz NMFLFYFBVOMCGE-LJQANCHMSA-N 2 2 386.565 3.612 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3nc(CCc4ccccc4)oc3=S)C2)CC1 ZINC000755780196 1023374315 /nfs/dbraw/zinc/37/43/15/1023374315.db2.gz NMFLFYFBVOMCGE-LJQANCHMSA-N 2 2 386.565 3.612 20 0 GHADLP COc1ccc2nc(Cl)c(C[NH+]3CCC4(CC(N(C)C)=[NH+]O4)CC3)cc2c1 ZINC001141065030 1023414529 /nfs/dbraw/zinc/41/45/29/1023414529.db2.gz BFIKATRDDPWIDR-UHFFFAOYSA-N 2 2 388.899 3.527 20 0 GHADLP C/C(=C/c1ccccc1Cl)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000755929883 1023441372 /nfs/dbraw/zinc/44/13/72/1023441372.db2.gz YXAXAHXHVVMLFH-VLGSPTGOSA-N 2 2 389.971 3.810 20 0 GHADLP Fc1ccc(-c2cc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)ccn2)cc1 ZINC001141116967 1023535992 /nfs/dbraw/zinc/53/59/92/1023535992.db2.gz SOQMGLDVEWYQES-FGZHOGPDSA-N 2 2 388.490 3.847 20 0 GHADLP COC1CC[NH+](C2CC[NH+](Cc3ccnc(-c4ccc(F)cc4)c3)CC2)CC1 ZINC001141120333 1023541733 /nfs/dbraw/zinc/54/17/33/1023541733.db2.gz QCUGPVQEKMPPHD-UHFFFAOYSA-N 2 2 383.511 3.963 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc4c3cnn4[C@H]3CCCCO3)cc2)C1 ZINC001204896767 1033151526 /nfs/dbraw/zinc/15/15/26/1033151526.db2.gz FRNZJXUIRPBXJK-WMZHIEFXSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc4c3cnn4[C@H]3CCCCO3)cc2)C1 ZINC001204896767 1033151534 /nfs/dbraw/zinc/15/15/34/1033151534.db2.gz FRNZJXUIRPBXJK-WMZHIEFXSA-N 2 2 376.504 3.935 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc(F)ccc4C(F)(F)F)C[C@@H]3C2)cn1 ZINC001138089482 1024039883 /nfs/dbraw/zinc/03/98/83/1024039883.db2.gz SFYLIMACIQBGPY-WBVHZDCISA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc(F)ccc4C(F)(F)F)C[C@@H]3C2)cn1 ZINC001138089482 1024039899 /nfs/dbraw/zinc/03/98/99/1024039899.db2.gz SFYLIMACIQBGPY-WBVHZDCISA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc(F)ccc4C(F)(F)F)C[C@@H]3C2)cn1 ZINC001138089482 1024039912 /nfs/dbraw/zinc/03/99/12/1024039912.db2.gz SFYLIMACIQBGPY-WBVHZDCISA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc(F)ccc4C(F)(F)F)C[C@@H]3C2)cn1 ZINC001138089482 1024039927 /nfs/dbraw/zinc/03/99/27/1024039927.db2.gz SFYLIMACIQBGPY-WBVHZDCISA-N 2 2 396.432 3.532 20 0 GHADLP CC[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001141243548 1024251862 /nfs/dbraw/zinc/25/18/62/1024251862.db2.gz MLCHTMAJHWOZLM-DEOSSOPVSA-N 2 2 390.531 3.595 20 0 GHADLP CC[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001141243548 1024251877 /nfs/dbraw/zinc/25/18/77/1024251877.db2.gz MLCHTMAJHWOZLM-DEOSSOPVSA-N 2 2 390.531 3.595 20 0 GHADLP Cn1c(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc2ccccc21 ZINC001138376185 1024742656 /nfs/dbraw/zinc/74/26/56/1024742656.db2.gz GQURPLKMABBDAN-UHFFFAOYSA-N 2 2 396.560 3.502 20 0 GHADLP COc1ccc(CN2CC[NH+](Cc3ccc(-n4cc[nH+]c4C)cc3)CC2)cc1 ZINC001138547714 1024994810 /nfs/dbraw/zinc/99/48/10/1024994810.db2.gz RKZDBVLLCFKDFP-UHFFFAOYSA-N 2 2 376.504 3.507 20 0 GHADLP CCC[NH+](CCC)CCN1CC[NH+](Cc2ccc(C(F)(F)F)nc2C)CC1 ZINC001141432898 1025035905 /nfs/dbraw/zinc/03/59/05/1025035905.db2.gz QNMPDIUHSUHYOM-UHFFFAOYSA-N 2 2 386.506 3.648 20 0 GHADLP Cc1cc(C[NH+]2CCC([N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)c(C)s1 ZINC001138569501 1025041262 /nfs/dbraw/zinc/04/12/62/1025041262.db2.gz IKSXCWKWJKOGSI-SFHVURJKSA-N 2 2 393.597 3.928 20 0 GHADLP Cc1cc(C[NH+]2CCC([N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)c(C)s1 ZINC001138569501 1025041275 /nfs/dbraw/zinc/04/12/75/1025041275.db2.gz IKSXCWKWJKOGSI-SFHVURJKSA-N 2 2 393.597 3.928 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccccc2N2CCCC2)CC3)cn1 ZINC001138610713 1025101698 /nfs/dbraw/zinc/10/16/98/1025101698.db2.gz OIHDGEXRFMIVHP-UHFFFAOYSA-N 2 2 393.579 3.651 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccccc2N2CCCC2)CC3)cn1 ZINC001138610713 1025101706 /nfs/dbraw/zinc/10/17/06/1025101706.db2.gz OIHDGEXRFMIVHP-UHFFFAOYSA-N 2 2 393.579 3.651 20 0 GHADLP Fc1ccc(-n2cc(C[NH+]3C[C@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)cn2)cc1 ZINC001138648259 1025159937 /nfs/dbraw/zinc/15/99/37/1025159937.db2.gz VWRLGWMAUJHBLK-ROUUACIJSA-N 2 2 382.508 3.637 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4nc(C)ccc4c3)CC2)C1 ZINC001141475569 1025166818 /nfs/dbraw/zinc/16/68/18/1025166818.db2.gz MGULDFUSXNAFOS-OAQYLSRUSA-N 2 2 395.547 3.783 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4nc(C)ccc4c3)CC2)C1 ZINC001141475569 1025166820 /nfs/dbraw/zinc/16/68/20/1025166820.db2.gz MGULDFUSXNAFOS-OAQYLSRUSA-N 2 2 395.547 3.783 20 0 GHADLP [NH2+]=C(NO)c1ccc(OC2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1F ZINC001229079367 1033266168 /nfs/dbraw/zinc/26/61/68/1033266168.db2.gz RYDRYIQNLCVSJT-UHFFFAOYSA-N 2 2 391.446 3.982 20 0 GHADLP COc1cc(C)c(C[NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)c(C)c1C ZINC001138729449 1025259795 /nfs/dbraw/zinc/25/97/95/1025259795.db2.gz QLWRUIJBPWPSHY-UHFFFAOYSA-N 2 2 396.579 3.985 20 0 GHADLP COc1cc(C)c(C[NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)c(C)c1C ZINC001138729449 1025259804 /nfs/dbraw/zinc/25/98/04/1025259804.db2.gz QLWRUIJBPWPSHY-UHFFFAOYSA-N 2 2 396.579 3.985 20 0 GHADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)ccc1F ZINC001205179124 1033285691 /nfs/dbraw/zinc/28/56/91/1033285691.db2.gz AIYVMXIODODFOJ-GIWBLDEGSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)ccc1F ZINC001205179124 1033285704 /nfs/dbraw/zinc/28/57/04/1033285704.db2.gz AIYVMXIODODFOJ-GIWBLDEGSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)ccc1F ZINC001205179124 1033285715 /nfs/dbraw/zinc/28/57/15/1033285715.db2.gz AIYVMXIODODFOJ-GIWBLDEGSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)ccc1F ZINC001205179124 1033285727 /nfs/dbraw/zinc/28/57/27/1033285727.db2.gz AIYVMXIODODFOJ-GIWBLDEGSA-N 2 2 382.527 3.706 20 0 GHADLP COCc1cc[nH+]c(N2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001162056350 1025571985 /nfs/dbraw/zinc/57/19/85/1025571985.db2.gz ZGYMEVXMFCBAEZ-UHFFFAOYSA-N 2 2 379.426 3.787 20 0 GHADLP CCOC(=O)c1c(C)cc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)[nH+]c1C ZINC001162196720 1025663134 /nfs/dbraw/zinc/66/31/34/1025663134.db2.gz BPHQPIOVYJZRPG-WGSAOQKQSA-N 2 2 382.508 3.547 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(OC(C)C)c3)CC2)C1 ZINC001138982677 1025715147 /nfs/dbraw/zinc/71/51/47/1025715147.db2.gz HCMSENSCOGEPKG-HXUWFJFHSA-N 2 2 388.552 3.713 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(OC(C)C)c3)CC2)C1 ZINC001138982677 1025715163 /nfs/dbraw/zinc/71/51/63/1025715163.db2.gz HCMSENSCOGEPKG-HXUWFJFHSA-N 2 2 388.552 3.713 20 0 GHADLP c1ccc(C2(C[NH2+]Cc3ccc(OCC[NH+]4CCOCC4)cc3)CCCC2)cc1 ZINC001461026015 1069344350 /nfs/dbraw/zinc/34/43/50/1069344350.db2.gz LUFDMLPLKZVYKT-UHFFFAOYSA-N 2 2 394.559 3.999 20 0 GHADLP COc1cccc(C2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)c1 ZINC001139061270 1025853260 /nfs/dbraw/zinc/85/32/60/1025853260.db2.gz XTQJMLUPDOSLAG-UHFFFAOYSA-N 2 2 380.532 3.907 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC001461038722 1069352501 /nfs/dbraw/zinc/35/25/01/1069352501.db2.gz XUCSFVSJHYVFGY-SFHVURJKSA-N 2 2 399.501 3.765 20 0 GHADLP C[N@@H+]1CCN(CCC[NH2+]Cc2c[nH]c(-c3ccccc3)n2)[C@H](c2ccccc2)C1 ZINC001461038671 1069353200 /nfs/dbraw/zinc/35/32/00/1069353200.db2.gz XMEVJSRIVIFNDA-QHCPKHFHSA-N 2 2 389.547 3.545 20 0 GHADLP C[N@H+]1CCN(CCC[NH2+]Cc2c[nH]c(-c3ccccc3)n2)[C@H](c2ccccc2)C1 ZINC001461038671 1069353215 /nfs/dbraw/zinc/35/32/15/1069353215.db2.gz XMEVJSRIVIFNDA-QHCPKHFHSA-N 2 2 389.547 3.545 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c(Cl)c1OC ZINC001139116072 1025924629 /nfs/dbraw/zinc/92/46/29/1025924629.db2.gz DEDHLQMGVUGPPC-UHFFFAOYSA-N 2 2 375.900 3.800 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H](CNc3ccc(C4CC4)c[nH+]3)C3(C2)CC[NH2+]CC3)cc1 ZINC001162940436 1025976767 /nfs/dbraw/zinc/97/67/67/1025976767.db2.gz DMAACGCHGHZAAR-JOCHJYFZSA-N 3 2 376.548 3.873 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H](CNc3ccc(C4CC4)c[nH+]3)C3(C2)CC[NH2+]CC3)cc1 ZINC001162940436 1025976770 /nfs/dbraw/zinc/97/67/70/1025976770.db2.gz DMAACGCHGHZAAR-JOCHJYFZSA-N 3 2 376.548 3.873 20 0 GHADLP COc1ccccc1-n1c[nH+]c2cc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)ccc21 ZINC001163289292 1026126740 /nfs/dbraw/zinc/12/67/40/1026126740.db2.gz MDFIHHDVMRVFRW-GAJHUEQPSA-N 2 2 392.503 3.605 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](c4cccc(Cl)c4)C3)s2)CC1 ZINC001139323780 1026182886 /nfs/dbraw/zinc/18/28/86/1026182886.db2.gz RXYQSCZKNRUACO-INIZCTEOSA-N 2 2 376.957 3.538 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](c4cccc(Cl)c4)C3)s2)CC1 ZINC001139323780 1026182896 /nfs/dbraw/zinc/18/28/96/1026182896.db2.gz RXYQSCZKNRUACO-INIZCTEOSA-N 2 2 376.957 3.538 20 0 GHADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(N5CCCCC5)nc4)C[C@H]3C2)c1 ZINC001139339844 1026202582 /nfs/dbraw/zinc/20/25/82/1026202582.db2.gz DAFLFIPESLGFNV-BGYRXZFFSA-N 2 2 382.577 3.697 20 0 GHADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(N5CCCCC5)nc4)C[C@H]3C2)c1 ZINC001139339844 1026202598 /nfs/dbraw/zinc/20/25/98/1026202598.db2.gz DAFLFIPESLGFNV-BGYRXZFFSA-N 2 2 382.577 3.697 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(N5CCCCC5)nc4)C[C@H]3C2)c1 ZINC001139339844 1026202609 /nfs/dbraw/zinc/20/26/09/1026202609.db2.gz DAFLFIPESLGFNV-BGYRXZFFSA-N 2 2 382.577 3.697 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(N5CCCCC5)nc4)C[C@H]3C2)c1 ZINC001139339844 1026202623 /nfs/dbraw/zinc/20/26/23/1026202623.db2.gz DAFLFIPESLGFNV-BGYRXZFFSA-N 2 2 382.577 3.697 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139357036 1026228984 /nfs/dbraw/zinc/22/89/84/1026228984.db2.gz XJTALOVXHQKEPA-AZUAARDMSA-N 2 2 382.508 3.704 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139357036 1026228997 /nfs/dbraw/zinc/22/89/97/1026228997.db2.gz XJTALOVXHQKEPA-AZUAARDMSA-N 2 2 382.508 3.704 20 0 GHADLP O=C(NCC1CC1)[C@H]1CCC2(C1)CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001139359808 1026233568 /nfs/dbraw/zinc/23/35/68/1026233568.db2.gz KVNNZMJRXZWACG-NRFANRHFSA-N 2 2 392.547 3.781 20 0 GHADLP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](Cc4c(N)ncnc4Cl)CC3)C2)cc1 ZINC001139439070 1026306335 /nfs/dbraw/zinc/30/63/35/1026306335.db2.gz IVNDHSVREOUEHK-UHFFFAOYSA-N 2 2 399.970 3.899 20 0 GHADLP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4c(N)ncnc4Cl)CC3)C2)cc1 ZINC001139439070 1026306349 /nfs/dbraw/zinc/30/63/49/1026306349.db2.gz IVNDHSVREOUEHK-UHFFFAOYSA-N 2 2 399.970 3.899 20 0 GHADLP C[C@H](c1nnc(SC[C@@H]2CCC[N@@H+]2C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC001164463510 1026518402 /nfs/dbraw/zinc/51/84/02/1026518402.db2.gz GCBIJBQXDFGPNB-CJNGLKHVSA-N 2 2 379.961 3.730 20 0 GHADLP C[C@H](c1nnc(SC[C@@H]2CCC[N@H+]2C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC001164463510 1026518405 /nfs/dbraw/zinc/51/84/05/1026518405.db2.gz GCBIJBQXDFGPNB-CJNGLKHVSA-N 2 2 379.961 3.730 20 0 GHADLP Cc1c[nH+]c(N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)cc1C ZINC001165318951 1026702675 /nfs/dbraw/zinc/70/26/75/1026702675.db2.gz IRIFJJYDJZKRFH-HNNXBMFYSA-N 2 2 387.281 3.687 20 0 GHADLP Cc1[nH+]c2c(n1-c1nc(C)nc3scc(-c4cccs4)c31)CC[NH2+]CC2 ZINC001165355802 1026712023 /nfs/dbraw/zinc/71/20/23/1026712023.db2.gz ZAKPULJQDLDZRP-UHFFFAOYSA-N 2 2 381.530 3.911 20 0 GHADLP CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1ccccc1-n1cc[nH+]c1C)CC2 ZINC001140021456 1026806152 /nfs/dbraw/zinc/80/61/52/1026806152.db2.gz MFQMXVNPDZKBHD-UHFFFAOYSA-N 2 2 389.499 3.845 20 0 GHADLP CCOC(=O)Cc1ccc2c(c1)C[N@H+](Cc1ccccc1-n1cc[nH+]c1C)CC2 ZINC001140021456 1026806163 /nfs/dbraw/zinc/80/61/63/1026806163.db2.gz MFQMXVNPDZKBHD-UHFFFAOYSA-N 2 2 389.499 3.845 20 0 GHADLP CCOc1ccccc1N1CC[NH+](Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140023409 1026809237 /nfs/dbraw/zinc/80/92/37/1026809237.db2.gz NKORZXBJIQPZOE-UHFFFAOYSA-N 2 2 376.504 3.902 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC2(CCC(=O)N2CC2CC2)CC1 ZINC001140024233 1026810486 /nfs/dbraw/zinc/81/04/86/1026810486.db2.gz DDFQLMXOQNZEDE-UHFFFAOYSA-N 2 2 378.520 3.548 20 0 GHADLP CCOC[C@H]1C[N@H+](Cc2ccccc2-n2cc[nH+]c2C)Cc2c1cnn2CC ZINC001140024795 1026811986 /nfs/dbraw/zinc/81/19/86/1026811986.db2.gz JHYKIAZOVJZNNU-LJQANCHMSA-N 2 2 379.508 3.533 20 0 GHADLP CCOC[C@H]1C[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)Cc2c1cnn2CC ZINC001140024795 1026811993 /nfs/dbraw/zinc/81/19/93/1026811993.db2.gz JHYKIAZOVJZNNU-LJQANCHMSA-N 2 2 379.508 3.533 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001140026082 1026813226 /nfs/dbraw/zinc/81/32/26/1026813226.db2.gz USQBPHMFVAXFIC-DHIUTWEWSA-N 2 2 386.499 3.951 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001140026082 1026813232 /nfs/dbraw/zinc/81/32/32/1026813232.db2.gz USQBPHMFVAXFIC-DHIUTWEWSA-N 2 2 386.499 3.951 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccc(N2CCCC2)nc1 ZINC001203547630 1027425035 /nfs/dbraw/zinc/42/50/35/1027425035.db2.gz JJZIJRSOFVKRFW-UHFFFAOYSA-N 2 2 392.551 3.985 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(Br)c1)C2 ZINC001203765303 1027587284 /nfs/dbraw/zinc/58/72/84/1027587284.db2.gz MNOXPDLZXGXKNU-ICSRJNTNSA-N 2 2 393.369 3.629 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(Br)c1)C2 ZINC001203765303 1027587292 /nfs/dbraw/zinc/58/72/92/1027587292.db2.gz MNOXPDLZXGXKNU-ICSRJNTNSA-N 2 2 393.369 3.629 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(Br)c1)C2 ZINC001203765303 1027587302 /nfs/dbraw/zinc/58/73/02/1027587302.db2.gz MNOXPDLZXGXKNU-ICSRJNTNSA-N 2 2 393.369 3.629 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(Br)c1)C2 ZINC001203765303 1027587309 /nfs/dbraw/zinc/58/73/09/1027587309.db2.gz MNOXPDLZXGXKNU-ICSRJNTNSA-N 2 2 393.369 3.629 20 0 GHADLP Cc1nc(Nc2ccc(C[NH+]3CCCC3)cc2)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001203785784 1027603866 /nfs/dbraw/zinc/60/38/66/1027603866.db2.gz IKJSPKYPHLFGGF-IRXDYDNUSA-N 2 2 381.524 3.738 20 0 GHADLP CC(C)n1c(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)nc2ccccc21 ZINC001461353762 1069514932 /nfs/dbraw/zinc/51/49/32/1069514932.db2.gz HVDOXMIUPSNRLC-SFHVURJKSA-N 2 2 378.524 3.765 20 0 GHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001142172341 1028295986 /nfs/dbraw/zinc/29/59/86/1028295986.db2.gz XNVDUQINKLNUCG-UHFFFAOYSA-N 2 2 398.599 3.619 20 0 GHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001142172341 1028296002 /nfs/dbraw/zinc/29/60/02/1028296002.db2.gz XNVDUQINKLNUCG-UHFFFAOYSA-N 2 2 398.599 3.619 20 0 GHADLP Cc1cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)ccc1Br ZINC001461358017 1069517705 /nfs/dbraw/zinc/51/77/05/1069517705.db2.gz SSFVPGDSXKCUSK-QGZVFWFLSA-N 2 2 389.341 3.905 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(OC(F)F)c(F)c3)[nH+]c2)C1 ZINC001461360356 1069518141 /nfs/dbraw/zinc/51/81/41/1069518141.db2.gz WFFACCJGNASUBX-OAHLLOKOSA-N 2 2 380.414 3.575 20 0 GHADLP CC/C(=C/C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccc(C)cc1 ZINC001142467834 1028973663 /nfs/dbraw/zinc/97/36/63/1028973663.db2.gz DAZLXJYRMREKNI-VZCXRCSSSA-N 2 2 383.580 3.807 20 0 GHADLP CC/C(=C/C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccc(C)cc1 ZINC001142467834 1028973664 /nfs/dbraw/zinc/97/36/64/1028973664.db2.gz DAZLXJYRMREKNI-VZCXRCSSSA-N 2 2 383.580 3.807 20 0 GHADLP CNc1nc(Cl)ncc1C[NH+]1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001142482720 1028981925 /nfs/dbraw/zinc/98/19/25/1028981925.db2.gz MHZFAQBVNNXAAI-KRWDZBQOSA-N 2 2 389.931 3.641 20 0 GHADLP CNc1nc(Cl)ncc1C[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001142482720 1028981931 /nfs/dbraw/zinc/98/19/31/1028981931.db2.gz MHZFAQBVNNXAAI-KRWDZBQOSA-N 2 2 389.931 3.641 20 0 GHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400777604 1029033966 /nfs/dbraw/zinc/03/39/66/1029033966.db2.gz OPUAWJPWHZHBAO-WMZOPIPTSA-N 2 2 378.561 3.923 20 0 GHADLP Cc1nc(Nc2ccc(C[NH2+]CC(C)C)cc2)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001215744554 1029378115 /nfs/dbraw/zinc/37/81/15/1029378115.db2.gz XPOQQSKUYNIYIL-IRXDYDNUSA-N 2 2 383.540 3.888 20 0 GHADLP Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(N(C)C)[nH+]1 ZINC001216090340 1029519913 /nfs/dbraw/zinc/51/99/13/1029519913.db2.gz QZVKIBVZEMGARK-FQEVSTJZSA-N 2 2 395.551 3.878 20 0 GHADLP Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(N(C)C)[nH+]1 ZINC001216090340 1029519918 /nfs/dbraw/zinc/51/99/18/1029519918.db2.gz QZVKIBVZEMGARK-FQEVSTJZSA-N 2 2 395.551 3.878 20 0 GHADLP C[C@H](NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001221968387 1029911116 /nfs/dbraw/zinc/91/11/16/1029911116.db2.gz XAOQCYJIOKQCFE-OALUTQOASA-N 2 2 391.519 3.753 20 0 GHADLP C[C@H](NC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001221968387 1029911117 /nfs/dbraw/zinc/91/11/17/1029911117.db2.gz XAOQCYJIOKQCFE-OALUTQOASA-N 2 2 391.519 3.753 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000843360496 1029939352 /nfs/dbraw/zinc/93/93/52/1029939352.db2.gz AHFRVIULGLJIQD-LZSHCIMRSA-N 2 2 395.572 3.566 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000843360496 1029939355 /nfs/dbraw/zinc/93/93/55/1029939355.db2.gz AHFRVIULGLJIQD-LZSHCIMRSA-N 2 2 395.572 3.566 20 0 GHADLP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001222576456 1030208083 /nfs/dbraw/zinc/20/80/83/1030208083.db2.gz SYPZXGLGJYRAPC-HSZRJFAPSA-N 3 2 385.596 3.666 20 0 GHADLP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001222576456 1030208097 /nfs/dbraw/zinc/20/80/97/1030208097.db2.gz SYPZXGLGJYRAPC-HSZRJFAPSA-N 3 2 385.596 3.666 20 0 GHADLP Cc1cc(F)ncc1C[N@@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590502 1030216280 /nfs/dbraw/zinc/21/62/80/1030216280.db2.gz ILGZAEBFEPGKLU-NRFANRHFSA-N 2 2 383.511 3.833 20 0 GHADLP Cc1cc(F)ncc1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590502 1030216297 /nfs/dbraw/zinc/21/62/97/1030216297.db2.gz ILGZAEBFEPGKLU-NRFANRHFSA-N 2 2 383.511 3.833 20 0 GHADLP COc1ccc(Br)c(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222602112 1030226965 /nfs/dbraw/zinc/22/69/65/1030226965.db2.gz IBFUZHUOWLPZQR-SFHVURJKSA-N 2 2 387.321 3.647 20 0 GHADLP COc1ccc(Br)c(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222602112 1030226980 /nfs/dbraw/zinc/22/69/80/1030226980.db2.gz IBFUZHUOWLPZQR-SFHVURJKSA-N 2 2 387.321 3.647 20 0 GHADLP O=C(NCCn1c[nH+]cc1-c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001149856577 1030328282 /nfs/dbraw/zinc/32/82/82/1030328282.db2.gz SONDFFXEJOJJJI-JOCHJYFZSA-N 2 2 388.515 3.721 20 0 GHADLP O=C(NCCn1c[nH+]cc1-c1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001149856577 1030328302 /nfs/dbraw/zinc/32/83/02/1030328302.db2.gz SONDFFXEJOJJJI-JOCHJYFZSA-N 2 2 388.515 3.721 20 0 GHADLP Cc1ccc(-c2ccc(C[NH2+][C@H]3CCCN(CC[NH+]4CCOCC4)C3)s2)cc1 ZINC001461712271 1069694960 /nfs/dbraw/zinc/69/49/60/1069694960.db2.gz XPUXKBURAZWWFG-NRFANRHFSA-N 2 2 399.604 3.610 20 0 GHADLP COc1ccccc1[C@@H](CNC(=O)Nc1cc(C)c2[nH+]ccn2c1)[NH+]1CCCC1 ZINC001218781648 1031077576 /nfs/dbraw/zinc/07/75/76/1031077576.db2.gz DQIHFZYNSHIITH-LJQANCHMSA-N 2 2 393.491 3.610 20 0 GHADLP Fc1ccccc1C[N@@H+]1CCC[C@H](OC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC001224960727 1031194472 /nfs/dbraw/zinc/19/44/72/1031194472.db2.gz GIFVKDHDXCCZMR-GOTSBHOMSA-N 2 2 398.522 3.708 20 0 GHADLP Fc1ccccc1C[N@H+]1CCC[C@H](OC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC001224960727 1031194480 /nfs/dbraw/zinc/19/44/80/1031194480.db2.gz GIFVKDHDXCCZMR-GOTSBHOMSA-N 2 2 398.522 3.708 20 0 GHADLP Fc1ccccc1C[NH+]1CCC[C@H](OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001224960727 1031194490 /nfs/dbraw/zinc/19/44/90/1031194490.db2.gz GIFVKDHDXCCZMR-GOTSBHOMSA-N 2 2 398.522 3.708 20 0 GHADLP Fc1ccccc1C[NH+]1CCC[C@H](OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001224960727 1031194501 /nfs/dbraw/zinc/19/45/01/1031194501.db2.gz GIFVKDHDXCCZMR-GOTSBHOMSA-N 2 2 398.522 3.708 20 0 GHADLP Nc1ccc(-c2cc3cc(NC(=O)c4ccc([C@H]([NH3+])C[NH3+])cc4)ccc3o2)cc1 ZINC001219215493 1031309496 /nfs/dbraw/zinc/30/94/96/1031309496.db2.gz ZGGMLTUCIQDVJR-HXUWFJFHSA-N 2 2 386.455 3.893 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)Nc3cc(C[NH+](C)C)ccn3)CC2)cc1 ZINC001219709832 1031569714 /nfs/dbraw/zinc/56/97/14/1031569714.db2.gz FOHUEBLFDOIVNJ-UHFFFAOYSA-N 2 2 395.551 3.616 20 0 GHADLP Cc1cccn2cc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc12 ZINC001153503372 1031620817 /nfs/dbraw/zinc/62/08/17/1031620817.db2.gz GLSXZHCAALOAKB-FGZHOGPDSA-N 2 2 396.579 3.657 20 0 GHADLP Cc1cccn2cc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc12 ZINC001153503372 1031620821 /nfs/dbraw/zinc/62/08/21/1031620821.db2.gz GLSXZHCAALOAKB-FGZHOGPDSA-N 2 2 396.579 3.657 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1)c1ccccc1Cl ZINC001219816457 1031631315 /nfs/dbraw/zinc/63/13/15/1031631315.db2.gz MFMGHFJPVHAWLW-QHAWAJNXSA-N 2 2 385.939 3.942 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)C1 ZINC001205306125 1033351431 /nfs/dbraw/zinc/35/14/31/1033351431.db2.gz VIPPTHGPSKMXNM-GOSISDBHSA-N 2 2 398.551 3.731 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)C1 ZINC001205306125 1033351446 /nfs/dbraw/zinc/35/14/46/1033351446.db2.gz VIPPTHGPSKMXNM-GOSISDBHSA-N 2 2 398.551 3.731 20 0 GHADLP C[C@H]([NH2+][C@@H](CC(N)=O)c1ccccc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001205311056 1033354071 /nfs/dbraw/zinc/35/40/71/1033354071.db2.gz AZGQXWAEKGEABD-MDKPJZGXSA-N 2 2 385.939 3.757 20 0 GHADLP C[C@H]([NH2+][C@@H](CC(N)=O)c1ccccc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001205311056 1033354085 /nfs/dbraw/zinc/35/40/85/1033354085.db2.gz AZGQXWAEKGEABD-MDKPJZGXSA-N 2 2 385.939 3.757 20 0 GHADLP Cc1cc(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)n(-c2cc[nH+]cc2)n1 ZINC001205805974 1033584010 /nfs/dbraw/zinc/58/40/10/1033584010.db2.gz SWEDXRSFBAOYRG-UHFFFAOYSA-N 2 2 375.476 3.641 20 0 GHADLP COC(=O)c1c(C)cc(C)[nH+]c1N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001158147418 1033936352 /nfs/dbraw/zinc/93/63/52/1033936352.db2.gz CFUXKDUBNMPFFE-IYARVYRRSA-N 2 2 385.483 3.901 20 0 GHADLP Cc1ccc(-c2csc3ncnc(N4CCC([N@@H+]5CC[C@@H]([NH3+])C5)CC4)c23)cc1 ZINC001158258536 1033991690 /nfs/dbraw/zinc/99/16/90/1033991690.db2.gz BRMOLCZQKYXFQD-QGZVFWFLSA-N 2 2 393.560 3.669 20 0 GHADLP Cc1ccc(-c2csc3ncnc(N4CCC([N@H+]5CC[C@@H]([NH3+])C5)CC4)c23)cc1 ZINC001158258536 1033991693 /nfs/dbraw/zinc/99/16/93/1033991693.db2.gz BRMOLCZQKYXFQD-QGZVFWFLSA-N 2 2 393.560 3.669 20 0 GHADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)c(OC(F)(F)F)c1 ZINC001206810823 1033993353 /nfs/dbraw/zinc/99/33/53/1033993353.db2.gz PVLJJQIGDJCKSV-PWSUYJOCSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Br)c(OC(F)(F)F)c1 ZINC001206810823 1033993359 /nfs/dbraw/zinc/99/33/59/1033993359.db2.gz PVLJJQIGDJCKSV-PWSUYJOCSA-N 2 2 381.236 3.907 20 0 GHADLP O=C(CC1=C(c2ccccc2)[NH2+]C(c2ccccc2)S1)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158413786 1034067922 /nfs/dbraw/zinc/06/79/22/1034067922.db2.gz ABTSCRJFYLRBBW-OALUTQOASA-N 2 2 390.532 3.582 20 0 GHADLP COc1cc2c[nH+]c(N3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)cc2cc1OC ZINC001158629967 1034209387 /nfs/dbraw/zinc/20/93/87/1034209387.db2.gz YNINVBITPDVRAV-GOSISDBHSA-N 2 2 377.435 3.562 20 0 GHADLP Brc1ccc2c(Nc3ccc(N4CC[NH2+]CC4)nc3)cc[nH+]c2c1 ZINC001159289417 1034526494 /nfs/dbraw/zinc/52/64/94/1034526494.db2.gz AKDPWIIHJOFMIB-UHFFFAOYSA-N 2 2 384.281 3.546 20 0 GHADLP C[C@H]1C[C@@H](c2ccncc2Nc2ccccc2C[NH+]2CCOCC2)C[C@@H]([NH3+])C1 ZINC001159390021 1034576327 /nfs/dbraw/zinc/57/63/27/1034576327.db2.gz MLTKIXAMHGMPNZ-SXLOBPIMSA-N 2 2 380.536 3.888 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)C[NH+](C)C(C)C ZINC001159704944 1034718288 /nfs/dbraw/zinc/71/82/88/1034718288.db2.gz PPDKNULYFHAYDA-HXUWFJFHSA-N 2 2 379.976 3.739 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)C[NH+](C)C(C)C ZINC001159704944 1034718302 /nfs/dbraw/zinc/71/83/02/1034718302.db2.gz PPDKNULYFHAYDA-HXUWFJFHSA-N 2 2 379.976 3.739 20 0 GHADLP CC(C)C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1C(=O)C[N@H+](C)C(C)C ZINC001159704944 1034718315 /nfs/dbraw/zinc/71/83/15/1034718315.db2.gz PPDKNULYFHAYDA-HXUWFJFHSA-N 2 2 379.976 3.739 20 0 GHADLP CC(C)C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1C(=O)C[N@@H+](C)C(C)C ZINC001159704944 1034718330 /nfs/dbraw/zinc/71/83/30/1034718330.db2.gz PPDKNULYFHAYDA-HXUWFJFHSA-N 2 2 379.976 3.739 20 0 GHADLP [NH3+]C1(c2ccc(Nc3ccc(OCC[NH+]4CCOCC4)cc3F)cc2)CCC1 ZINC001159729203 1034725583 /nfs/dbraw/zinc/72/55/83/1034725583.db2.gz BYHMPVZPKZHYLM-UHFFFAOYSA-N 2 2 385.483 3.618 20 0 GHADLP C[NH+](C)Cc1cccc(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)c1 ZINC001159801691 1034745361 /nfs/dbraw/zinc/74/53/61/1034745361.db2.gz CXRSBUOEDFXBQN-UHFFFAOYSA-N 2 2 396.922 3.619 20 0 GHADLP Cc1cc([NH+]2CCCCC2)ccc1Nc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC001159818701 1034753347 /nfs/dbraw/zinc/75/33/47/1034753347.db2.gz URVZFMWJZIOCSK-UHFFFAOYSA-N 2 2 378.520 3.774 20 0 GHADLP C[NH+](C)CC1(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CCCC1 ZINC001208190565 1034785841 /nfs/dbraw/zinc/78/58/41/1034785841.db2.gz GJKXTTPQYCGWHU-WWNPGLIZSA-N 3 2 384.612 3.736 20 0 GHADLP C[NH+](C)CC1(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CCCC1 ZINC001208190565 1034785851 /nfs/dbraw/zinc/78/58/51/1034785851.db2.gz GJKXTTPQYCGWHU-WWNPGLIZSA-N 3 2 384.612 3.736 20 0 GHADLP C[NH+](C)CC1(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CCCC1 ZINC001208190565 1034785867 /nfs/dbraw/zinc/78/58/67/1034785867.db2.gz GJKXTTPQYCGWHU-WWNPGLIZSA-N 3 2 384.612 3.736 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC(C)=O ZINC001231710264 1034850692 /nfs/dbraw/zinc/85/06/92/1034850692.db2.gz DFKQGHDBILBEAR-FGZHOGPDSA-N 2 2 394.515 3.574 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC(C)=O ZINC001231710264 1034850704 /nfs/dbraw/zinc/85/07/04/1034850704.db2.gz DFKQGHDBILBEAR-FGZHOGPDSA-N 2 2 394.515 3.574 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1OC(C)=O ZINC001231710264 1034850713 /nfs/dbraw/zinc/85/07/13/1034850713.db2.gz DFKQGHDBILBEAR-FGZHOGPDSA-N 2 2 394.515 3.574 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1OC(C)=O ZINC001231710264 1034850727 /nfs/dbraw/zinc/85/07/27/1034850727.db2.gz DFKQGHDBILBEAR-FGZHOGPDSA-N 2 2 394.515 3.574 20 0 GHADLP CCCCc1ccc(C[N@@H+]2CCCn3c(=O)cc(C[NH+](CC)CC)nc3C2)cc1 ZINC001231782800 1034906403 /nfs/dbraw/zinc/90/64/03/1034906403.db2.gz ZZCFVBBDKSWIHS-UHFFFAOYSA-N 2 2 396.579 3.834 20 0 GHADLP CCCCc1ccc(C[N@H+]2CCCn3c(=O)cc(C[NH+](CC)CC)nc3C2)cc1 ZINC001231782800 1034906408 /nfs/dbraw/zinc/90/64/08/1034906408.db2.gz ZZCFVBBDKSWIHS-UHFFFAOYSA-N 2 2 396.579 3.834 20 0 GHADLP COC[C@@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)Cc2cn(CC3CCCC3)nc21 ZINC001232013080 1035042609 /nfs/dbraw/zinc/04/26/09/1035042609.db2.gz XIHPPUFWSLABJO-IBGZPJMESA-N 2 2 379.508 3.695 20 0 GHADLP COC[C@@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)Cc2cn(CC3CCCC3)nc21 ZINC001232013080 1035042620 /nfs/dbraw/zinc/04/26/20/1035042620.db2.gz XIHPPUFWSLABJO-IBGZPJMESA-N 2 2 379.508 3.695 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H]1C(F)(F)F ZINC001232018369 1035046314 /nfs/dbraw/zinc/04/63/14/1035046314.db2.gz JPTVLEGVXOGKQN-GDBMZVCRSA-N 2 2 398.429 3.840 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H]1C(F)(F)F ZINC001232018369 1035046321 /nfs/dbraw/zinc/04/63/21/1035046321.db2.gz JPTVLEGVXOGKQN-GDBMZVCRSA-N 2 2 398.429 3.840 20 0 GHADLP FC1(F)CN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@H]1[NH+]1CCCCC1 ZINC001208961453 1035132826 /nfs/dbraw/zinc/13/28/26/1035132826.db2.gz FWKKNHCSGWRSCJ-LEWJYISDSA-N 2 2 377.523 3.704 20 0 GHADLP FC1(F)CN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@H]1[NH+]1CCCCC1 ZINC001208961453 1035132828 /nfs/dbraw/zinc/13/28/28/1035132828.db2.gz FWKKNHCSGWRSCJ-LEWJYISDSA-N 2 2 377.523 3.704 20 0 GHADLP CCOC(=O)c1c(C)cc(NC2CC[NH+](Cc3ccc(O)cc3)CC2)[nH+]c1C ZINC001161131916 1035153158 /nfs/dbraw/zinc/15/31/58/1035153158.db2.gz UCKSLUFQPKLFRO-UHFFFAOYSA-N 2 2 383.492 3.657 20 0 GHADLP FC(F)(F)c1cccc(CC[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC001209116185 1035180082 /nfs/dbraw/zinc/18/00/82/1035180082.db2.gz IUOKVOIIYSUOBH-QZTJIDSGSA-N 2 2 375.438 3.707 20 0 GHADLP FC(F)(F)c1ccc(CC[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001209123617 1035183102 /nfs/dbraw/zinc/18/31/02/1035183102.db2.gz YEUTXMUYSYKCFZ-OALUTQOASA-N 2 2 375.438 3.707 20 0 GHADLP FC(F)(F)c1ccc(CC[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001209125035 1035184246 /nfs/dbraw/zinc/18/42/46/1035184246.db2.gz STVUCBVFOYCTOH-ROUUACIJSA-N 2 2 375.438 3.707 20 0 GHADLP FC(F)(F)c1ccccc1CC[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001209284411 1035230309 /nfs/dbraw/zinc/23/03/09/1035230309.db2.gz GZHLZYOFOZTYCD-UHFFFAOYSA-N 2 2 378.442 3.556 20 0 GHADLP FC(F)(F)c1ccccc1CC[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001209284411 1035230314 /nfs/dbraw/zinc/23/03/14/1035230314.db2.gz GZHLZYOFOZTYCD-UHFFFAOYSA-N 2 2 378.442 3.556 20 0 GHADLP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001209447220 1035275679 /nfs/dbraw/zinc/27/56/79/1035275679.db2.gz ITOAIZMLPXWKNP-UHFFFAOYSA-N 2 2 397.611 3.729 20 0 GHADLP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001209447220 1035275682 /nfs/dbraw/zinc/27/56/82/1035275682.db2.gz ITOAIZMLPXWKNP-UHFFFAOYSA-N 2 2 397.611 3.729 20 0 GHADLP [NH3+][C@H]1CCCC[C@@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000166673234 1035276551 /nfs/dbraw/zinc/27/65/51/1035276551.db2.gz RNJCPHYZRWLMGA-GOTSBHOMSA-N 2 2 388.515 3.732 20 0 GHADLP C[NH+]1CCN(c2cccc(N[C@H](c3ccc(C(F)(F)F)cn3)C3CC3)[nH+]2)CC1 ZINC001161786705 1035302342 /nfs/dbraw/zinc/30/23/42/1035302342.db2.gz KOXVNCGHTURMFU-IBGZPJMESA-N 2 2 391.441 3.810 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC001209611193 1035330281 /nfs/dbraw/zinc/33/02/81/1035330281.db2.gz PJEIRXCSZYMVQA-FQEVSTJZSA-N 2 2 383.536 3.762 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC001209611193 1035330291 /nfs/dbraw/zinc/33/02/91/1035330291.db2.gz PJEIRXCSZYMVQA-FQEVSTJZSA-N 2 2 383.536 3.762 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC001209611193 1035330299 /nfs/dbraw/zinc/33/02/99/1035330299.db2.gz PJEIRXCSZYMVQA-FQEVSTJZSA-N 2 2 383.536 3.762 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC001209611193 1035330304 /nfs/dbraw/zinc/33/03/04/1035330304.db2.gz PJEIRXCSZYMVQA-FQEVSTJZSA-N 2 2 383.536 3.762 20 0 GHADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(N5CCCC5)nc4)C[C@@H]3C2)cc1 ZINC001209626198 1035335600 /nfs/dbraw/zinc/33/56/00/1035335600.db2.gz QWJHHMJYBFUWNL-GOTSBHOMSA-N 2 2 376.548 3.554 20 0 GHADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3ccc(OCC[NH+]4CCCCC4)cc3)ccn12 ZINC001241759285 1035680485 /nfs/dbraw/zinc/68/04/85/1035680485.db2.gz PCVBQXHDNHCWMW-UHFFFAOYSA-N 3 2 376.504 3.553 20 0 GHADLP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)s1 ZINC001246042562 1037157206 /nfs/dbraw/zinc/15/72/06/1037157206.db2.gz CKBMVCIWWUHPIT-HRCADAONSA-N 2 2 386.895 3.748 20 0 GHADLP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)s1 ZINC001246042562 1037157218 /nfs/dbraw/zinc/15/72/18/1037157218.db2.gz CKBMVCIWWUHPIT-HRCADAONSA-N 2 2 386.895 3.748 20 0 GHADLP O[C@H](C[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC001246069177 1037184158 /nfs/dbraw/zinc/18/41/58/1037184158.db2.gz LZNPGGUCVWSLHQ-HXUWFJFHSA-N 2 2 380.866 3.906 20 0 GHADLP O[C@H](C[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC001246069177 1037184168 /nfs/dbraw/zinc/18/41/68/1037184168.db2.gz LZNPGGUCVWSLHQ-HXUWFJFHSA-N 2 2 380.866 3.906 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CC[NH2+]1 ZINC001246331112 1037297918 /nfs/dbraw/zinc/29/79/18/1037297918.db2.gz HRUZXRIKVNIYDT-RBBKRZOGSA-N 3 2 385.527 3.657 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H](c3ccccc3)C2)cc1 ZINC001246368381 1037326853 /nfs/dbraw/zinc/32/68/53/1037326853.db2.gz BWIOLPMVFUYSJW-RGDDHOSMSA-N 3 2 375.560 3.917 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H](c3ccccc3)C2)cc1 ZINC001246368381 1037326872 /nfs/dbraw/zinc/32/68/72/1037326872.db2.gz BWIOLPMVFUYSJW-RGDDHOSMSA-N 3 2 375.560 3.917 20 0 GHADLP c1c(C[NH2+][C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)onc1-c1ccc2c(c1)OCO2 ZINC001246473011 1037425023 /nfs/dbraw/zinc/42/50/23/1037425023.db2.gz GEGOROHVZYKNDN-RBUKOAKNSA-N 2 2 391.471 3.523 20 0 GHADLP COc1cc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc2ccccc21 ZINC001246518521 1037451734 /nfs/dbraw/zinc/45/17/34/1037451734.db2.gz HNZYCSASRRBIBO-LUQKVYGDSA-N 2 2 383.536 3.932 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@@H]([N@@H+]2CCC[C@]4(C[NH2+]CCO4)C2)CC3)cc1 ZINC001246651048 1037525716 /nfs/dbraw/zinc/52/57/16/1037525716.db2.gz VVZYWOHAPZQIIB-ZCYQVOJMSA-N 2 2 392.543 3.577 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@@H]([N@H+]2CCC[C@]4(C[NH2+]CCO4)C2)CC3)cc1 ZINC001246651048 1037525738 /nfs/dbraw/zinc/52/57/38/1037525738.db2.gz VVZYWOHAPZQIIB-ZCYQVOJMSA-N 2 2 392.543 3.577 20 0 GHADLP C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H](CC(=O)NCC4CC4)c4ccccc43)CC2)C[NH2+]1 ZINC001246661457 1037533412 /nfs/dbraw/zinc/53/34/12/1037533412.db2.gz QQQKLOFSDPHWNZ-NRSPTQNISA-N 2 2 395.591 3.564 20 0 GHADLP c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246673437 1037539310 /nfs/dbraw/zinc/53/93/10/1037539310.db2.gz OGOFBMZDAAJJJN-AZGAKELHSA-N 3 2 389.587 3.904 20 0 GHADLP c1ccc(C[NH+]2CCC([N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246673437 1037539328 /nfs/dbraw/zinc/53/93/28/1037539328.db2.gz OGOFBMZDAAJJJN-AZGAKELHSA-N 3 2 389.587 3.904 20 0 GHADLP c1ccc([C@@H]2C[C@@H]([NH+]3CCN(c4nsc5ccccc54)CC3)CC[NH2+]2)cc1 ZINC001246682906 1037546438 /nfs/dbraw/zinc/54/64/38/1037546438.db2.gz XHIAIJAFEYMUPS-ICSRJNTNSA-N 2 2 378.545 3.912 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@H]1CC[NH2+][C@H](C(C)(C)C)C1)CC2 ZINC001246739897 1037583759 /nfs/dbraw/zinc/58/37/59/1037583759.db2.gz OTAJWHQQALCOJY-VABKMULXSA-N 3 2 399.623 3.909 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@H]1CC[NH2+][C@H](C(C)(C)C)C1)CC2 ZINC001246739897 1037583775 /nfs/dbraw/zinc/58/37/75/1037583775.db2.gz OTAJWHQQALCOJY-VABKMULXSA-N 3 2 399.623 3.909 20 0 GHADLP FC(F)(F)[C@@H]1C[C@H]([NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)CCN1 ZINC001246776733 1037618828 /nfs/dbraw/zinc/61/88/28/1037618828.db2.gz OXLNRHQEIWRNOX-KDOFPFPSSA-N 2 2 398.860 3.693 20 0 GHADLP c1ccc(C[C@@H]2C[C@H]([NH+]3CCN(c4nccc5ccccc54)CC3)CC[NH2+]2)cc1 ZINC001246811198 1037645865 /nfs/dbraw/zinc/64/58/65/1037645865.db2.gz ORTNNZCGBSRQPF-DHIUTWEWSA-N 2 2 386.543 3.720 20 0 GHADLP c1ccc(C[C@@H]2C[C@@H]([N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246830524 1037661198 /nfs/dbraw/zinc/66/11/98/1037661198.db2.gz VKJSSFIPCZVEGA-ZNZIZOMTSA-N 3 2 389.587 3.948 20 0 GHADLP c1ccc(C[C@@H]2C[C@@H]([N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246830524 1037661203 /nfs/dbraw/zinc/66/12/03/1037661203.db2.gz VKJSSFIPCZVEGA-ZNZIZOMTSA-N 3 2 389.587 3.948 20 0 GHADLP c1ccc(C[C@@H]2C[C@@H]([NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246830524 1037661214 /nfs/dbraw/zinc/66/12/14/1037661214.db2.gz VKJSSFIPCZVEGA-ZNZIZOMTSA-N 3 2 389.587 3.948 20 0 GHADLP c1ccc(C[C@@H]2C[C@@H]([NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246830524 1037661218 /nfs/dbraw/zinc/66/12/18/1037661218.db2.gz VKJSSFIPCZVEGA-ZNZIZOMTSA-N 3 2 389.587 3.948 20 0 GHADLP COc1ccc(Cl)cc1N1CC[NH+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246833730 1037662170 /nfs/dbraw/zinc/66/21/70/1037662170.db2.gz ICJVUOZHJOQXFU-NHCUHLMSSA-N 2 2 399.966 3.834 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246972782 1037796264 /nfs/dbraw/zinc/79/62/64/1037796264.db2.gz IZSIDBGBWBVBFL-RXVVDRJESA-N 3 2 386.490 3.720 20 0 GHADLP CC(=O)Nc1nc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)cs1 ZINC001232284920 1038017737 /nfs/dbraw/zinc/01/77/37/1038017737.db2.gz TZWWZUDQVYBDQV-GOSISDBHSA-N 2 2 388.537 3.571 20 0 GHADLP CC(=O)Nc1nc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cs1 ZINC001232284920 1038017763 /nfs/dbraw/zinc/01/77/63/1038017763.db2.gz TZWWZUDQVYBDQV-GOSISDBHSA-N 2 2 388.537 3.571 20 0 GHADLP COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001232354072 1038133645 /nfs/dbraw/zinc/13/36/45/1038133645.db2.gz DLBWPBBLNQBWPK-VLCRHTCISA-N 2 2 380.536 3.526 20 0 GHADLP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001232354072 1038133655 /nfs/dbraw/zinc/13/36/55/1038133655.db2.gz DLBWPBBLNQBWPK-VLCRHTCISA-N 2 2 380.536 3.526 20 0 GHADLP COc1cc(C)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001232354072 1038133663 /nfs/dbraw/zinc/13/36/63/1038133663.db2.gz DLBWPBBLNQBWPK-VLCRHTCISA-N 2 2 380.536 3.526 20 0 GHADLP COc1cc(C)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001232354072 1038133673 /nfs/dbraw/zinc/13/36/73/1038133673.db2.gz DLBWPBBLNQBWPK-VLCRHTCISA-N 2 2 380.536 3.526 20 0 GHADLP COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001232354069 1038133893 /nfs/dbraw/zinc/13/38/93/1038133893.db2.gz DLBWPBBLNQBWPK-BWAGFHJFSA-N 2 2 380.536 3.526 20 0 GHADLP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001232354069 1038133902 /nfs/dbraw/zinc/13/39/02/1038133902.db2.gz DLBWPBBLNQBWPK-BWAGFHJFSA-N 2 2 380.536 3.526 20 0 GHADLP COc1cc(C)c(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001232354069 1038133908 /nfs/dbraw/zinc/13/39/08/1038133908.db2.gz DLBWPBBLNQBWPK-BWAGFHJFSA-N 2 2 380.536 3.526 20 0 GHADLP COc1cc(C)c(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001232354069 1038133916 /nfs/dbraw/zinc/13/39/16/1038133916.db2.gz DLBWPBBLNQBWPK-BWAGFHJFSA-N 2 2 380.536 3.526 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3ccc(Cl)c(Br)c3)no2)cc1 ZINC001247696917 1038337913 /nfs/dbraw/zinc/33/79/13/1038337913.db2.gz AJAZQUYXKMIPFT-AWEZNQCLSA-N 2 2 393.672 3.778 20 0 GHADLP Cc1cc(-c2noc(-c3ccc([C@@H]([NH3+])C[NH3+])cc3)n2)cc(C)c1Br ZINC001247702328 1038340967 /nfs/dbraw/zinc/34/09/67/1038340967.db2.gz VQNLZQRRWBOVRI-HNNXBMFYSA-N 2 2 387.281 3.741 20 0 GHADLP Clc1c(Br)cccc1-c1noc([C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001247857031 1038428523 /nfs/dbraw/zinc/42/85/23/1038428523.db2.gz BSBUPNFWELDSIO-GFCCVEGCSA-N 2 2 397.704 3.699 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc4ncsc43)CC2)C1 ZINC001232730193 1038521768 /nfs/dbraw/zinc/52/17/68/1038521768.db2.gz JYCKQWYFRZASFZ-QGZVFWFLSA-N 2 2 387.549 3.536 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc4ncsc43)CC2)C1 ZINC001232730193 1038521771 /nfs/dbraw/zinc/52/17/71/1038521771.db2.gz JYCKQWYFRZASFZ-QGZVFWFLSA-N 2 2 387.549 3.536 20 0 GHADLP C[NH+]1CCN(Cc2cccc(-c3noc([C@@H]4CC[N@@H+]4C4CCCCC4)n3)c2)CC1 ZINC001248034430 1038548685 /nfs/dbraw/zinc/54/86/85/1038548685.db2.gz OQQLGKUDSKCMDW-NRFANRHFSA-N 2 2 395.551 3.564 20 0 GHADLP C[NH+]1CCN(Cc2cccc(-c3noc([C@@H]4CC[N@H+]4C4CCCCC4)n3)c2)CC1 ZINC001248034430 1038548693 /nfs/dbraw/zinc/54/86/93/1038548693.db2.gz OQQLGKUDSKCMDW-NRFANRHFSA-N 2 2 395.551 3.564 20 0 GHADLP CN1CC[NH+](Cc2cccc(-c3noc([C@@H]4CC[N@@H+]4C4CCCCC4)n3)c2)CC1 ZINC001248034430 1038548701 /nfs/dbraw/zinc/54/87/01/1038548701.db2.gz OQQLGKUDSKCMDW-NRFANRHFSA-N 2 2 395.551 3.564 20 0 GHADLP CN1CC[NH+](Cc2cccc(-c3noc([C@@H]4CC[N@H+]4C4CCCCC4)n3)c2)CC1 ZINC001248034430 1038548705 /nfs/dbraw/zinc/54/87/05/1038548705.db2.gz OQQLGKUDSKCMDW-NRFANRHFSA-N 2 2 395.551 3.564 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(O)c1Cl)CC2 ZINC001232786506 1038553714 /nfs/dbraw/zinc/55/37/14/1038553714.db2.gz ZSTIHQWXDONUJU-KRWDZBQOSA-N 2 2 390.911 3.894 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(O)c1Cl)CC2 ZINC001232786506 1038553717 /nfs/dbraw/zinc/55/37/17/1038553717.db2.gz ZSTIHQWXDONUJU-KRWDZBQOSA-N 2 2 390.911 3.894 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cc(F)ccc2C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001252946702 1039289885 /nfs/dbraw/zinc/28/98/85/1039289885.db2.gz SDFXQSXIQATQKV-LJQANCHMSA-N 2 2 382.401 3.571 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cc(F)ccc2C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001252946702 1039289904 /nfs/dbraw/zinc/28/99/04/1039289904.db2.gz SDFXQSXIQATQKV-LJQANCHMSA-N 2 2 382.401 3.571 20 0 GHADLP O[C@H](C[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21)c1ccc(F)c(F)c1 ZINC001253361913 1039575275 /nfs/dbraw/zinc/57/52/75/1039575275.db2.gz UQJRVOUAPSTKCC-DYGHIYBASA-N 2 2 388.502 3.893 20 0 GHADLP O[C@H](C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21)c1ccc(F)c(F)c1 ZINC001253361913 1039575288 /nfs/dbraw/zinc/57/52/88/1039575288.db2.gz UQJRVOUAPSTKCC-DYGHIYBASA-N 2 2 388.502 3.893 20 0 GHADLP O[C@H](C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)c1ccc(F)c(F)c1 ZINC001253361913 1039575302 /nfs/dbraw/zinc/57/53/02/1039575302.db2.gz UQJRVOUAPSTKCC-DYGHIYBASA-N 2 2 388.502 3.893 20 0 GHADLP O[C@H](C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)c1ccc(F)c(F)c1 ZINC001253361913 1039575315 /nfs/dbraw/zinc/57/53/15/1039575315.db2.gz UQJRVOUAPSTKCC-DYGHIYBASA-N 2 2 388.502 3.893 20 0 GHADLP C[N@@H+]1CCC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)CC1 ZINC001254518165 1040293750 /nfs/dbraw/zinc/29/37/50/1040293750.db2.gz AZOGDTCTOPOFOW-SFTDATJTSA-N 2 2 387.568 3.635 20 0 GHADLP C[N@H+]1CCC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)CC1 ZINC001254518165 1040293767 /nfs/dbraw/zinc/29/37/67/1040293767.db2.gz AZOGDTCTOPOFOW-SFTDATJTSA-N 2 2 387.568 3.635 20 0 GHADLP C[NH+]1CCC[C@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)CC1 ZINC001254518165 1040293785 /nfs/dbraw/zinc/29/37/85/1040293785.db2.gz AZOGDTCTOPOFOW-SFTDATJTSA-N 2 2 387.568 3.635 20 0 GHADLP C[NH+]1CCC[C@H]([N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)CC1 ZINC001254518165 1040293801 /nfs/dbraw/zinc/29/38/01/1040293801.db2.gz AZOGDTCTOPOFOW-SFTDATJTSA-N 2 2 387.568 3.635 20 0 GHADLP Fc1ccc(COc2ccc(C[N@@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cc2)cc1 ZINC001235009525 1040498401 /nfs/dbraw/zinc/49/84/01/1040498401.db2.gz WJLUUVDSPQLYLY-QHCPKHFHSA-N 2 2 384.495 3.607 20 0 GHADLP Fc1ccc(COc2ccc(C[N@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cc2)cc1 ZINC001235009525 1040498412 /nfs/dbraw/zinc/49/84/12/1040498412.db2.gz WJLUUVDSPQLYLY-QHCPKHFHSA-N 2 2 384.495 3.607 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[C@H]([NH2+]Cc3ccc4[nH+]ccn4c3)C2)CC1 ZINC001254741594 1040499156 /nfs/dbraw/zinc/49/91/56/1040499156.db2.gz DUOQFCCYGMPLQJ-SFHVURJKSA-N 2 2 384.524 3.994 20 0 GHADLP Brc1cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)ccc1-n1cc[nH+]c1 ZINC001235034203 1040526273 /nfs/dbraw/zinc/52/62/73/1040526273.db2.gz JPYOILUEWLAWLQ-GOSISDBHSA-N 2 2 376.298 3.637 20 0 GHADLP Brc1cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)ccc1-n1cc[nH+]c1 ZINC001235034203 1040526293 /nfs/dbraw/zinc/52/62/93/1040526293.db2.gz JPYOILUEWLAWLQ-GOSISDBHSA-N 2 2 376.298 3.637 20 0 GHADLP Clc1ccc(Br)c(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1Cl ZINC001235037142 1040532436 /nfs/dbraw/zinc/53/24/36/1040532436.db2.gz CLBRFGXHDXXWME-QMTHXVAHSA-N 2 2 394.140 3.566 20 0 GHADLP Clc1ccc(Br)c(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1Cl ZINC001235037142 1040532453 /nfs/dbraw/zinc/53/24/53/1040532453.db2.gz CLBRFGXHDXXWME-QMTHXVAHSA-N 2 2 394.140 3.566 20 0 GHADLP FC(F)(F)c1cccc(Oc2cccc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)c2)c1 ZINC001235059203 1040550699 /nfs/dbraw/zinc/55/06/99/1040550699.db2.gz CKIUFKNRXXRDHS-HXUWFJFHSA-N 2 2 391.437 3.635 20 0 GHADLP FC(F)(F)c1cccc(Oc2cccc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)c2)c1 ZINC001235059203 1040550719 /nfs/dbraw/zinc/55/07/19/1040550719.db2.gz CKIUFKNRXXRDHS-HXUWFJFHSA-N 2 2 391.437 3.635 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CCCC[N@@H+]2[C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254855948 1040601801 /nfs/dbraw/zinc/60/18/01/1040601801.db2.gz RVJNQDQUUKCVGC-IBGZPJMESA-N 2 2 377.573 3.726 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CCCC[N@H+]2[C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254855948 1040601805 /nfs/dbraw/zinc/60/18/05/1040601805.db2.gz RVJNQDQUUKCVGC-IBGZPJMESA-N 2 2 377.573 3.726 20 0 GHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC001254875498 1040620147 /nfs/dbraw/zinc/62/01/47/1040620147.db2.gz UUYXXEBRULBMJY-LVIWNVNYSA-N 2 2 379.589 3.876 20 0 GHADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC001254875498 1040620176 /nfs/dbraw/zinc/62/01/76/1040620176.db2.gz UUYXXEBRULBMJY-LVIWNVNYSA-N 2 2 379.589 3.876 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC001254987925 1040709668 /nfs/dbraw/zinc/70/96/68/1040709668.db2.gz XYEQLJNDLIIKGR-RDGPPVDQSA-N 2 2 387.524 3.631 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC001254987925 1040709681 /nfs/dbraw/zinc/70/96/81/1040709681.db2.gz XYEQLJNDLIIKGR-RDGPPVDQSA-N 2 2 387.524 3.631 20 0 GHADLP FC1(F)CC[N@@H+](C2Cc3ccccc3C2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001255024749 1040738140 /nfs/dbraw/zinc/73/81/40/1040738140.db2.gz ONEQGUNPXVCOKU-QFIPXVFZSA-N 2 2 383.486 3.782 20 0 GHADLP FC1(F)CC[N@H+](C2Cc3ccccc3C2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001255024749 1040738154 /nfs/dbraw/zinc/73/81/54/1040738154.db2.gz ONEQGUNPXVCOKU-QFIPXVFZSA-N 2 2 383.486 3.782 20 0 GHADLP FC1(F)CC[NH+](C2Cc3ccccc3C2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001255024749 1040738164 /nfs/dbraw/zinc/73/81/64/1040738164.db2.gz ONEQGUNPXVCOKU-QFIPXVFZSA-N 2 2 383.486 3.782 20 0 GHADLP FC1(F)CC[NH+](C2Cc3ccccc3C2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001255024749 1040738176 /nfs/dbraw/zinc/73/81/76/1040738176.db2.gz ONEQGUNPXVCOKU-QFIPXVFZSA-N 2 2 383.486 3.782 20 0 GHADLP FC(F)(F)Oc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC001235270975 1040749001 /nfs/dbraw/zinc/74/90/01/1040749001.db2.gz OEFUEIPFLFDFIN-RDJZCZTQSA-N 2 2 377.410 3.831 20 0 GHADLP FC(F)(F)Oc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC001235270975 1040749015 /nfs/dbraw/zinc/74/90/15/1040749015.db2.gz OEFUEIPFLFDFIN-RDJZCZTQSA-N 2 2 377.410 3.831 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(Cl)c1 ZINC001235355263 1040832810 /nfs/dbraw/zinc/83/28/10/1040832810.db2.gz LVRJNXRMCDBMAY-DENIHFKCSA-N 2 2 384.907 3.706 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(Cl)c1 ZINC001235355263 1040832826 /nfs/dbraw/zinc/83/28/26/1040832826.db2.gz LVRJNXRMCDBMAY-DENIHFKCSA-N 2 2 384.907 3.706 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC[NH+]1CCC(Cc3ccccc3)CC1)C2 ZINC001255180822 1040888881 /nfs/dbraw/zinc/88/88/81/1040888881.db2.gz KGCVSIRQCJICLZ-WBDAEOGXSA-N 2 2 399.579 3.683 20 0 GHADLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccc(Br)c3cccnc13)C2 ZINC001235405112 1040916585 /nfs/dbraw/zinc/91/65/85/1040916585.db2.gz NTXIPLBAWSJCPG-SJLPKXTDSA-N 2 2 378.289 3.521 20 0 GHADLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc(Br)c3cccnc13)C2 ZINC001235405112 1040916586 /nfs/dbraw/zinc/91/65/86/1040916586.db2.gz NTXIPLBAWSJCPG-SJLPKXTDSA-N 2 2 378.289 3.521 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Oc3cc[nH+]cc3)CC1)C2 ZINC001255236169 1040920249 /nfs/dbraw/zinc/92/02/49/1040920249.db2.gz FUHLPIQMVWTXGP-BCDXTJNWSA-N 2 2 387.524 3.855 20 0 GHADLP O=C1N(CC2CC2)CC[C@]12CCC[N@@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255405441 1040993298 /nfs/dbraw/zinc/99/32/98/1040993298.db2.gz ZRFCWHFWNBZJQN-NOZRDPDXSA-N 2 2 395.591 3.766 20 0 GHADLP O=C1N(CC2CC2)CC[C@]12CCC[N@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255405441 1040993300 /nfs/dbraw/zinc/99/33/00/1040993300.db2.gz ZRFCWHFWNBZJQN-NOZRDPDXSA-N 2 2 395.591 3.766 20 0 GHADLP O=C1N(CC2CC2)CC[C@]12CCC[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255405441 1040993301 /nfs/dbraw/zinc/99/33/01/1040993301.db2.gz ZRFCWHFWNBZJQN-NOZRDPDXSA-N 2 2 395.591 3.766 20 0 GHADLP O=C1N(CC2CC2)CC[C@]12CCC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255405441 1040993305 /nfs/dbraw/zinc/99/33/05/1040993305.db2.gz ZRFCWHFWNBZJQN-NOZRDPDXSA-N 2 2 395.591 3.766 20 0 GHADLP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@@H+]1C1CCC(C(C)(C)C)CC1 ZINC001255502858 1041096544 /nfs/dbraw/zinc/09/65/44/1041096544.db2.gz MWJIFZZBERREDD-XEVCZEQESA-N 2 2 387.616 3.612 20 0 GHADLP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@H+]1C1CCC(C(C)(C)C)CC1 ZINC001255502858 1041096555 /nfs/dbraw/zinc/09/65/55/1041096555.db2.gz MWJIFZZBERREDD-XEVCZEQESA-N 2 2 387.616 3.612 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCC[NH2+]C3CCCCC3)C[C@@H]21 ZINC001235659866 1041109060 /nfs/dbraw/zinc/10/90/60/1041109060.db2.gz BZVFULGLKIOQBM-FGCOXFRFSA-N 3 2 384.612 3.926 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCC[NH2+]C3CCCCC3)C[C@@H]21 ZINC001235659866 1041109068 /nfs/dbraw/zinc/10/90/68/1041109068.db2.gz BZVFULGLKIOQBM-FGCOXFRFSA-N 3 2 384.612 3.926 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CCC[NH2+]C3CCCCC3)C[C@@H]21 ZINC001235659866 1041109079 /nfs/dbraw/zinc/10/90/79/1041109079.db2.gz BZVFULGLKIOQBM-FGCOXFRFSA-N 3 2 384.612 3.926 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CCC[NH2+]C3CCCCC3)C[C@@H]21 ZINC001235659866 1041109093 /nfs/dbraw/zinc/10/90/93/1041109093.db2.gz BZVFULGLKIOQBM-FGCOXFRFSA-N 3 2 384.612 3.926 20 0 GHADLP Clc1ccc(CO[C@@H]2CCC[N@H+](Cc3nc4c(s3)C[NH2+]CC4)C2)cc1 ZINC001235708901 1041191938 /nfs/dbraw/zinc/19/19/38/1041191938.db2.gz BMHYTVUGZFFLHZ-MRXNPFEDSA-N 2 2 377.941 3.623 20 0 GHADLP Clc1ccc(CO[C@@H]2CCC[N@@H+](Cc3nc4c(s3)C[NH2+]CC4)C2)cc1 ZINC001235708901 1041191947 /nfs/dbraw/zinc/19/19/47/1041191947.db2.gz BMHYTVUGZFFLHZ-MRXNPFEDSA-N 2 2 377.941 3.623 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC001235716055 1041198644 /nfs/dbraw/zinc/19/86/44/1041198644.db2.gz XWSWQJLHXSRMRP-QGZVFWFLSA-N 2 2 384.593 3.625 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC001235716055 1041198655 /nfs/dbraw/zinc/19/86/55/1041198655.db2.gz XWSWQJLHXSRMRP-QGZVFWFLSA-N 2 2 384.593 3.625 20 0 GHADLP FC(F)(F)Oc1ccc(-c2cccc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)n2)cc1 ZINC001235714407 1041199400 /nfs/dbraw/zinc/19/94/00/1041199400.db2.gz WEKOVSPZVGYOFL-UHFFFAOYSA-N 2 2 377.410 3.833 20 0 GHADLP FC(F)(F)Oc1ccc(-c2cccc(C[N@H+]3CCCC4(C[NH2+]C4)C3)n2)cc1 ZINC001235714407 1041199406 /nfs/dbraw/zinc/19/94/06/1041199406.db2.gz WEKOVSPZVGYOFL-UHFFFAOYSA-N 2 2 377.410 3.833 20 0 GHADLP COCCC[N@H+](Cc1c[nH]c2cc(Br)ccc12)[C@@H]1CCC[NH2+]C1 ZINC001235807752 1041316004 /nfs/dbraw/zinc/31/60/04/1041316004.db2.gz WBSOYCNDUYUMOJ-MRXNPFEDSA-N 2 2 380.330 3.521 20 0 GHADLP COCCC[N@@H+](Cc1c[nH]c2cc(Br)ccc12)[C@@H]1CCC[NH2+]C1 ZINC001235807752 1041316015 /nfs/dbraw/zinc/31/60/15/1041316015.db2.gz WBSOYCNDUYUMOJ-MRXNPFEDSA-N 2 2 380.330 3.521 20 0 GHADLP COCCC[N@H+](Cc1cccc2cc(Br)cnc21)[C@@H]1CCC[NH2+]C1 ZINC001235811624 1041323643 /nfs/dbraw/zinc/32/36/43/1041323643.db2.gz VOZDXXCVIMELRC-GOSISDBHSA-N 2 2 392.341 3.588 20 0 GHADLP COCCC[N@@H+](Cc1cccc2cc(Br)cnc21)[C@@H]1CCC[NH2+]C1 ZINC001235811624 1041323659 /nfs/dbraw/zinc/32/36/59/1041323659.db2.gz VOZDXXCVIMELRC-GOSISDBHSA-N 2 2 392.341 3.588 20 0 GHADLP CC1([NH+]2CCN(Cc3cc(-c4ccccc4)ncc3Cl)CC2)CC[NH2+]CC1 ZINC001235821150 1041337691 /nfs/dbraw/zinc/33/76/91/1041337691.db2.gz CIYQEYPGIMSKFE-UHFFFAOYSA-N 2 2 384.955 3.662 20 0 GHADLP C[N@H+](CCCC12CCC(c3ccccc31)c1ccccc12)C[C@H]1C[NH2+]CCO1 ZINC001235864643 1041396485 /nfs/dbraw/zinc/39/64/85/1041396485.db2.gz JUUCZGVBBQPUDM-USEFPYCQSA-N 2 2 376.544 3.912 20 0 GHADLP C[N@@H+](CCCC12CCC(c3ccccc31)c1ccccc12)C[C@H]1C[NH2+]CCO1 ZINC001235864643 1041396488 /nfs/dbraw/zinc/39/64/88/1041396488.db2.gz JUUCZGVBBQPUDM-USEFPYCQSA-N 2 2 376.544 3.912 20 0 GHADLP Brc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)ccc1-n1cc[nH+]c1 ZINC001235888302 1041415169 /nfs/dbraw/zinc/41/51/69/1041415169.db2.gz NONORZRGOUNBLI-GOSISDBHSA-N 3 2 389.341 3.599 20 0 GHADLP C[C@@H](C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001462541863 1070343034 /nfs/dbraw/zinc/34/30/34/1070343034.db2.gz HMZSLZPQZCHABF-INIZCTEOSA-N 2 2 397.485 3.615 20 0 GHADLP C[NH+]1CCN(C(=O)c2ccc(-c3cccc(C[NH+]4CCCCC4)c3F)cc2)CC1 ZINC001236010746 1041503050 /nfs/dbraw/zinc/50/30/50/1041503050.db2.gz FEOHDAOWFHIOAD-UHFFFAOYSA-N 2 2 395.522 3.866 20 0 GHADLP FC1(F)CC[N@@H+](C2CC[NH+](C3CC3)CC2)C[C@]12CCN(c1ccccc1)C2 ZINC001256075702 1041510129 /nfs/dbraw/zinc/51/01/29/1041510129.db2.gz AWUCTKRNAYWPIV-OAQYLSRUSA-N 2 2 375.507 3.851 20 0 GHADLP FC1(F)CC[N@H+](C2CC[NH+](C3CC3)CC2)C[C@]12CCN(c1ccccc1)C2 ZINC001256075702 1041510136 /nfs/dbraw/zinc/51/01/36/1041510136.db2.gz AWUCTKRNAYWPIV-OAQYLSRUSA-N 2 2 375.507 3.851 20 0 GHADLP COC(=O)[C@H]([NH3+])C1CC[NH+](Cc2c(Cl)cc(C(F)(F)F)cc2Cl)CC1 ZINC001236065400 1041517532 /nfs/dbraw/zinc/51/75/32/1041517532.db2.gz FTCZVOUZNSWJNQ-CQSZACIVSA-N 2 2 399.240 3.725 20 0 GHADLP [NH3+]CC1C[NH+]([C@H]2CCCN(Cc3ccc(OCc4ccccc4)cc3Cl)C2)C1 ZINC001236079091 1041524696 /nfs/dbraw/zinc/52/46/96/1041524696.db2.gz LIOBOMBVBFAKIR-NRFANRHFSA-N 2 2 399.966 3.774 20 0 GHADLP Clc1ccc([C@@]23C[C@@H]2C[N@H+](Cc2nc4c(s2)C[NH2+]CC4)C3)cc1Cl ZINC001236156402 1041578959 /nfs/dbraw/zinc/57/89/59/1041578959.db2.gz ZXSMANNQTAYCFH-XIKOKIGWSA-N 2 2 380.344 3.869 20 0 GHADLP Clc1ccc([C@@]23C[C@@H]2C[N@@H+](Cc2nc4c(s2)C[NH2+]CC4)C3)cc1Cl ZINC001236156402 1041578973 /nfs/dbraw/zinc/57/89/73/1041578973.db2.gz ZXSMANNQTAYCFH-XIKOKIGWSA-N 2 2 380.344 3.869 20 0 GHADLP C[NH+]1CCC([N@@H+]2CCC[C@]23CN(C(=O)OC(C)(C)C)C[C@@H]3c2ccccc2)CC1 ZINC001256205037 1041646859 /nfs/dbraw/zinc/64/68/59/1041646859.db2.gz VCBAOANBRYNMQY-ZJSXRUAMSA-N 2 2 399.579 3.950 20 0 GHADLP C[NH+]1CCC([N@H+]2CCC[C@]23CN(C(=O)OC(C)(C)C)C[C@@H]3c2ccccc2)CC1 ZINC001256205037 1041646867 /nfs/dbraw/zinc/64/68/67/1041646867.db2.gz VCBAOANBRYNMQY-ZJSXRUAMSA-N 2 2 399.579 3.950 20 0 GHADLP Brc1ccc(C[N@H+](Cc2ccc3nccn3c2)C2CC[NH2+]CC2)cc1 ZINC001236376444 1041687361 /nfs/dbraw/zinc/68/73/61/1041687361.db2.gz JUEFHMPTLPHWOX-UHFFFAOYSA-N 2 2 399.336 3.851 20 0 GHADLP Brc1ccc(C[N@@H+](Cc2ccc3nccn3c2)C2CC[NH2+]CC2)cc1 ZINC001236376444 1041687368 /nfs/dbraw/zinc/68/73/68/1041687368.db2.gz JUEFHMPTLPHWOX-UHFFFAOYSA-N 2 2 399.336 3.851 20 0 GHADLP Brc1ccc(CN(Cc2ccc3[nH+]ccn3c2)C2CC[NH2+]CC2)cc1 ZINC001236376444 1041687375 /nfs/dbraw/zinc/68/73/75/1041687375.db2.gz JUEFHMPTLPHWOX-UHFFFAOYSA-N 2 2 399.336 3.851 20 0 GHADLP CCOc1ccc(OC)cc1C[N@H+](Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001236447586 1041717132 /nfs/dbraw/zinc/71/71/32/1041717132.db2.gz UOEOONCWPVZUCR-UHFFFAOYSA-N 2 2 384.520 3.857 20 0 GHADLP CCOc1ccc(OC)cc1C[N@@H+](Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001236447586 1041717136 /nfs/dbraw/zinc/71/71/36/1041717136.db2.gz UOEOONCWPVZUCR-UHFFFAOYSA-N 2 2 384.520 3.857 20 0 GHADLP COC(=O)c1ccc(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(Br)c1 ZINC001236458068 1041721570 /nfs/dbraw/zinc/72/15/70/1041721570.db2.gz UCXZJMVDGMOQPM-UHFFFAOYSA-N 2 2 397.357 3.836 20 0 GHADLP COC(=O)c1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(Br)c1 ZINC001236458068 1041721577 /nfs/dbraw/zinc/72/15/77/1041721577.db2.gz UCXZJMVDGMOQPM-UHFFFAOYSA-N 2 2 397.357 3.836 20 0 GHADLP COC(=O)c1cccc(C[N@H+](Cc2cccc(C)c2OC)C2CC[NH2+]CC2)c1 ZINC001236466556 1041727999 /nfs/dbraw/zinc/72/79/99/1041727999.db2.gz KDWDNTDWXYFERH-UHFFFAOYSA-N 2 2 382.504 3.544 20 0 GHADLP COC(=O)c1cccc(C[N@@H+](Cc2cccc(C)c2OC)C2CC[NH2+]CC2)c1 ZINC001236466556 1041728002 /nfs/dbraw/zinc/72/80/02/1041728002.db2.gz KDWDNTDWXYFERH-UHFFFAOYSA-N 2 2 382.504 3.544 20 0 GHADLP Cc1cc(F)cc(C[N@H+](Cc2ccc(O)c3[nH]c(=O)ccc23)C2CC[NH2+]CC2)c1 ZINC001236482306 1041735348 /nfs/dbraw/zinc/73/53/48/1041735348.db2.gz GOYRYDVQRCUULG-UHFFFAOYSA-N 2 2 395.478 3.848 20 0 GHADLP Cc1cc(F)cc(C[N@@H+](Cc2ccc(O)c3[nH]c(=O)ccc23)C2CC[NH2+]CC2)c1 ZINC001236482306 1041735351 /nfs/dbraw/zinc/73/53/51/1041735351.db2.gz GOYRYDVQRCUULG-UHFFFAOYSA-N 2 2 395.478 3.848 20 0 GHADLP CCCCc1[nH]c(CN(Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)c[nH+]1 ZINC001236497880 1041740573 /nfs/dbraw/zinc/74/05/73/1041740573.db2.gz QZGBQNYDBRENQN-UHFFFAOYSA-N 2 2 380.458 3.924 20 0 GHADLP CCCCc1[nH]cc(CN(Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)[nH+]1 ZINC001236497880 1041740579 /nfs/dbraw/zinc/74/05/79/1041740579.db2.gz QZGBQNYDBRENQN-UHFFFAOYSA-N 2 2 380.458 3.924 20 0 GHADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)c(OC(F)(F)F)c3)C[C@H]12 ZINC001236831910 1041921444 /nfs/dbraw/zinc/92/14/44/1041921444.db2.gz SASFRMSCICWTRJ-GMXVVIOVSA-N 2 2 379.220 3.517 20 0 GHADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Br)c(OC(F)(F)F)c3)C[C@H]12 ZINC001236831910 1041921447 /nfs/dbraw/zinc/92/14/47/1041921447.db2.gz SASFRMSCICWTRJ-GMXVVIOVSA-N 2 2 379.220 3.517 20 0 GHADLP COc1ccc(CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@H](C)O)cc1 ZINC001236913262 1041954662 /nfs/dbraw/zinc/95/46/62/1041954662.db2.gz JTOONUDAWQUVKF-KRWDZBQOSA-N 2 2 399.922 3.960 20 0 GHADLP COc1ccc(CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@H](C)O)cc1 ZINC001236913262 1041954666 /nfs/dbraw/zinc/95/46/66/1041954666.db2.gz JTOONUDAWQUVKF-KRWDZBQOSA-N 2 2 399.922 3.960 20 0 GHADLP COC[C@@H]1COCCC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)CC2 ZINC001236916481 1041956261 /nfs/dbraw/zinc/95/62/61/1041956261.db2.gz DUHYQTSQDYMTEJ-GOSISDBHSA-N 2 2 389.927 3.791 20 0 GHADLP CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236915854 1041956623 /nfs/dbraw/zinc/95/66/23/1041956623.db2.gz FTEGSYULQYJCKI-FQEVSTJZSA-N 2 2 388.943 3.601 20 0 GHADLP CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236915854 1041956626 /nfs/dbraw/zinc/95/66/26/1041956626.db2.gz FTEGSYULQYJCKI-FQEVSTJZSA-N 2 2 388.943 3.601 20 0 GHADLP Fc1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1N1CCOCC1 ZINC001236960944 1041970403 /nfs/dbraw/zinc/97/04/03/1041970403.db2.gz VOSAJZPIOCTLIT-UHFFFAOYSA-N 2 2 387.543 3.503 20 0 GHADLP Fc1ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1N1CCOCC1 ZINC001236960944 1041970408 /nfs/dbraw/zinc/97/04/08/1041970408.db2.gz VOSAJZPIOCTLIT-UHFFFAOYSA-N 2 2 387.543 3.503 20 0 GHADLP Fc1ccc(-c2cncc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)c2)cc1 ZINC001236999490 1041985274 /nfs/dbraw/zinc/98/52/74/1041985274.db2.gz HNHARBRUZMUXIG-DHIUTWEWSA-N 2 2 388.490 3.847 20 0 GHADLP COCC[N@H+](Cc1ccc(NC(=O)OC(C)(C)C)c(F)c1)C1CC[NH+](C)CC1 ZINC001237036970 1041998327 /nfs/dbraw/zinc/99/83/27/1041998327.db2.gz PVWJUJDQNLCGAV-UHFFFAOYSA-N 2 2 395.519 3.715 20 0 GHADLP COCC[N@@H+](Cc1ccc(NC(=O)OC(C)(C)C)c(F)c1)C1CC[NH+](C)CC1 ZINC001237036970 1041998331 /nfs/dbraw/zinc/99/83/31/1041998331.db2.gz PVWJUJDQNLCGAV-UHFFFAOYSA-N 2 2 395.519 3.715 20 0 GHADLP COCC[N@H+](Cc1cccc2cc(Br)cnc21)C1CC[NH+](C)CC1 ZINC001237131600 1042055854 /nfs/dbraw/zinc/05/58/54/1042055854.db2.gz AADXDHCRFBEULJ-UHFFFAOYSA-N 2 2 392.341 3.540 20 0 GHADLP COCC[N@@H+](Cc1cccc2cc(Br)cnc21)C1CC[NH+](C)CC1 ZINC001237131600 1042055859 /nfs/dbraw/zinc/05/58/59/1042055859.db2.gz AADXDHCRFBEULJ-UHFFFAOYSA-N 2 2 392.341 3.540 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(OC)c1Cl)C2 ZINC001237188670 1042084677 /nfs/dbraw/zinc/08/46/77/1042084677.db2.gz SFURVTBHOKZXPA-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(OC)c1Cl)C2 ZINC001237188670 1042084680 /nfs/dbraw/zinc/08/46/80/1042084680.db2.gz SFURVTBHOKZXPA-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(OC)c1Cl)C2 ZINC001237188670 1042084688 /nfs/dbraw/zinc/08/46/88/1042084688.db2.gz SFURVTBHOKZXPA-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(OC)c1Cl)C2 ZINC001237188670 1042084696 /nfs/dbraw/zinc/08/46/96/1042084696.db2.gz SFURVTBHOKZXPA-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1 ZINC001237275500 1042118785 /nfs/dbraw/zinc/11/87/85/1042118785.db2.gz OSWOPLXRHALCSE-UHFFFAOYSA-N 3 2 393.575 3.654 20 0 GHADLP COC(=O)Cc1cccc(C[NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)c1 ZINC001237491159 1042233148 /nfs/dbraw/zinc/23/31/48/1042233148.db2.gz UGEGYXNMGVWCNF-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP COC(=O)Cc1cccc(C[NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)c1 ZINC001237491159 1042233153 /nfs/dbraw/zinc/23/31/53/1042233153.db2.gz UGEGYXNMGVWCNF-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccn3nccc3c2)CC1 ZINC001237540452 1042256894 /nfs/dbraw/zinc/25/68/94/1042256894.db2.gz NUHUJMOMABJARP-UHFFFAOYSA-N 2 2 377.879 3.858 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(OC(C)C)c(C)c3)CC2)C1 ZINC001237729503 1042343619 /nfs/dbraw/zinc/34/36/19/1042343619.db2.gz CSMOKCYQURPFPH-HXUWFJFHSA-N 2 2 388.552 3.632 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(OC(C)C)c(C)c3)CC2)C1 ZINC001237729503 1042343626 /nfs/dbraw/zinc/34/36/26/1042343626.db2.gz CSMOKCYQURPFPH-HXUWFJFHSA-N 2 2 388.552 3.632 20 0 GHADLP CCOC[C@@H]1C[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)Cc2c1cnn2C ZINC001237876525 1042405373 /nfs/dbraw/zinc/40/53/73/1042405373.db2.gz GLVUFXWAFJRQHL-IBGZPJMESA-N 2 2 380.536 3.557 20 0 GHADLP CCOC[C@@H]1C[N@@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)Cc2c1cnn2C ZINC001237876525 1042405376 /nfs/dbraw/zinc/40/53/76/1042405376.db2.gz GLVUFXWAFJRQHL-IBGZPJMESA-N 2 2 380.536 3.557 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4cccc(N5CCCCC5)n4)C[C@@H]3C2)c1 ZINC001238002279 1042454028 /nfs/dbraw/zinc/45/40/28/1042454028.db2.gz CVRIGXHXSYVCAU-RTBURBONSA-N 2 2 382.577 3.697 20 0 GHADLP Fc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1-c1ccncc1 ZINC001238563189 1042641481 /nfs/dbraw/zinc/64/14/81/1042641481.db2.gz ZMWUMRNRYJUFKY-NHCUHLMSSA-N 2 2 388.490 3.847 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(OCC)ccc3C)CC2)C1 ZINC001238710708 1042696102 /nfs/dbraw/zinc/69/61/02/1042696102.db2.gz DLYHHQSYJBBKOY-IBGZPJMESA-N 2 2 388.552 3.633 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc(OCC)ccc3C)CC2)C1 ZINC001238710708 1042696103 /nfs/dbraw/zinc/69/61/03/1042696103.db2.gz DLYHHQSYJBBKOY-IBGZPJMESA-N 2 2 388.552 3.633 20 0 GHADLP COc1cc(C)c(C)cc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001238757837 1042716327 /nfs/dbraw/zinc/71/63/27/1042716327.db2.gz SCYRWXGTDZOKTR-PUHATCMVSA-N 2 2 396.579 3.882 20 0 GHADLP COc1cc(C)c(C)cc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001238757837 1042716331 /nfs/dbraw/zinc/71/63/31/1042716331.db2.gz SCYRWXGTDZOKTR-PUHATCMVSA-N 2 2 396.579 3.882 20 0 GHADLP COc1cc(C)c(C)cc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001238757837 1042716334 /nfs/dbraw/zinc/71/63/34/1042716334.db2.gz SCYRWXGTDZOKTR-PUHATCMVSA-N 2 2 396.579 3.882 20 0 GHADLP COc1cc(C)c(C)cc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001238757837 1042716340 /nfs/dbraw/zinc/71/63/40/1042716340.db2.gz SCYRWXGTDZOKTR-PUHATCMVSA-N 2 2 396.579 3.882 20 0 GHADLP COc1cc(F)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1Cl ZINC001238791554 1042730309 /nfs/dbraw/zinc/73/03/09/1042730309.db2.gz QTRLQYIWTCOBPJ-AEFFLSMTSA-N 2 2 389.902 3.837 20 0 GHADLP COc1cc(F)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1Cl ZINC001238791554 1042730314 /nfs/dbraw/zinc/73/03/14/1042730314.db2.gz QTRLQYIWTCOBPJ-AEFFLSMTSA-N 2 2 389.902 3.837 20 0 GHADLP COc1cc(F)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1Cl ZINC001238791554 1042730323 /nfs/dbraw/zinc/73/03/23/1042730323.db2.gz QTRLQYIWTCOBPJ-AEFFLSMTSA-N 2 2 389.902 3.837 20 0 GHADLP C[N@@H+]1CCc2oc(-c3ccc(-c4ccc(C[NH+]5CCOCC5)cc4)cc3)nc2C1 ZINC001240478204 1042935598 /nfs/dbraw/zinc/93/55/98/1042935598.db2.gz GYZNXBFSDKKOBF-UHFFFAOYSA-N 2 2 389.499 3.829 20 0 GHADLP C[N@H+]1CCc2oc(-c3ccc(-c4ccc(C[NH+]5CCOCC5)cc4)cc3)nc2C1 ZINC001240478204 1042935602 /nfs/dbraw/zinc/93/56/02/1042935602.db2.gz GYZNXBFSDKKOBF-UHFFFAOYSA-N 2 2 389.499 3.829 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)[nH+]c1 ZINC001256491761 1043429545 /nfs/dbraw/zinc/42/95/45/1043429545.db2.gz XUXBXCBDEJBFGT-PKOBYXMFSA-N 2 2 388.556 3.736 20 0 GHADLP CCOc1cccc(N2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256554449 1043523212 /nfs/dbraw/zinc/52/32/12/1043523212.db2.gz QBWCSNHPHITHJW-RBBKRZOGSA-N 2 2 394.563 3.655 20 0 GHADLP CCOc1cccc(N2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256554449 1043523218 /nfs/dbraw/zinc/52/32/18/1043523218.db2.gz QBWCSNHPHITHJW-RBBKRZOGSA-N 2 2 394.563 3.655 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)CC1 ZINC001256571050 1043545323 /nfs/dbraw/zinc/54/53/23/1043545323.db2.gz XABWYPQXZFCGET-UHFFFAOYSA-N 3 2 385.596 3.616 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CC1 ZINC001256571050 1043545333 /nfs/dbraw/zinc/54/53/33/1043545333.db2.gz XABWYPQXZFCGET-UHFFFAOYSA-N 3 2 385.596 3.616 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](C1CC[NH+](C(C)(C)C)CC1)CC2 ZINC001256573347 1043547039 /nfs/dbraw/zinc/54/70/39/1043547039.db2.gz NINPJRLSSWQGEI-FQEVSTJZSA-N 3 2 389.584 3.598 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](C1CC[NH+](C(C)(C)C)CC1)CC2 ZINC001256573347 1043547052 /nfs/dbraw/zinc/54/70/52/1043547052.db2.gz NINPJRLSSWQGEI-FQEVSTJZSA-N 3 2 389.584 3.598 20 0 GHADLP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604820 1043567250 /nfs/dbraw/zinc/56/72/50/1043567250.db2.gz WSJKLVFOFDPNEO-IBGZPJMESA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604820 1043567255 /nfs/dbraw/zinc/56/72/55/1043567255.db2.gz WSJKLVFOFDPNEO-IBGZPJMESA-N 2 2 387.568 3.982 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CCO2 ZINC001256604999 1043568000 /nfs/dbraw/zinc/56/80/00/1043568000.db2.gz WRDQXLPVYVOHGK-OAQYLSRUSA-N 2 2 380.488 3.551 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256606614 1043570537 /nfs/dbraw/zinc/57/05/37/1043570537.db2.gz ZAELAQGSNNKYJJ-QHCPKHFHSA-N 2 2 385.552 3.736 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]12CC[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256606614 1043570547 /nfs/dbraw/zinc/57/05/47/1043570547.db2.gz ZAELAQGSNNKYJJ-QHCPKHFHSA-N 2 2 385.552 3.736 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC001292093890 1043589280 /nfs/dbraw/zinc/58/92/80/1043589280.db2.gz YAKFDYOCUINTDY-FCEWJHQRSA-N 2 2 379.976 3.815 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC001292093890 1043589289 /nfs/dbraw/zinc/58/92/89/1043589289.db2.gz YAKFDYOCUINTDY-FCEWJHQRSA-N 2 2 379.976 3.815 20 0 GHADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256853061 1043702554 /nfs/dbraw/zinc/70/25/54/1043702554.db2.gz LTDRGDPEEAHZQP-UHFFFAOYSA-N 3 2 382.527 3.752 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)C[C@H](C)O1 ZINC001257079066 1043833873 /nfs/dbraw/zinc/83/38/73/1043833873.db2.gz WXKQHAOXLFCNSX-KZTDQWPFSA-N 2 2 382.548 3.595 20 0 GHADLP CC(C)[C@@H]1C[C@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CCN1C(=O)OC(C)(C)C ZINC001257206468 1043936937 /nfs/dbraw/zinc/93/69/37/1043936937.db2.gz UEUBMZDPFMSUSE-KSZLIROESA-N 2 2 376.545 3.947 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@H]21 ZINC001257816155 1044197959 /nfs/dbraw/zinc/19/79/59/1044197959.db2.gz QMZQUOHFKNSRCY-JPAWQOSXSA-N 2 2 377.573 3.582 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@H]21 ZINC001257816155 1044197963 /nfs/dbraw/zinc/19/79/63/1044197963.db2.gz QMZQUOHFKNSRCY-JPAWQOSXSA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@H]21 ZINC001257816155 1044197965 /nfs/dbraw/zinc/19/79/65/1044197965.db2.gz QMZQUOHFKNSRCY-JPAWQOSXSA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@H]21 ZINC001257816155 1044197967 /nfs/dbraw/zinc/19/79/67/1044197967.db2.gz QMZQUOHFKNSRCY-JPAWQOSXSA-N 2 2 377.573 3.582 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H](n2cc[nH+]c2CC[NH3+])C[C@H]1Cc1ccccc1 ZINC001257973470 1044295908 /nfs/dbraw/zinc/29/59/08/1044295908.db2.gz LYSAKLFPGVTCHS-RTBURBONSA-N 2 2 384.524 3.568 20 0 GHADLP CSc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CCn4ccnc4)C3)C2)s1 ZINC001279077362 1044418056 /nfs/dbraw/zinc/41/80/56/1044418056.db2.gz QFYJHSFLXVEXEQ-LJQANCHMSA-N 2 2 376.595 3.655 20 0 GHADLP CSc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CCn4ccnc4)C3)C2)s1 ZINC001279077362 1044418059 /nfs/dbraw/zinc/41/80/59/1044418059.db2.gz QFYJHSFLXVEXEQ-LJQANCHMSA-N 2 2 376.595 3.655 20 0 GHADLP CSc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CCn4ccnc4)C3)C2)s1 ZINC001279077362 1044418066 /nfs/dbraw/zinc/41/80/66/1044418066.db2.gz QFYJHSFLXVEXEQ-LJQANCHMSA-N 2 2 376.595 3.655 20 0 GHADLP CSc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CCn4ccnc4)C3)C2)s1 ZINC001279077362 1044418067 /nfs/dbraw/zinc/41/80/67/1044418067.db2.gz QFYJHSFLXVEXEQ-LJQANCHMSA-N 2 2 376.595 3.655 20 0 GHADLP Cc1cc(F)ccc1N1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258148167 1044437723 /nfs/dbraw/zinc/43/77/23/1044437723.db2.gz DQMCYNQARDJJJH-UHFFFAOYSA-N 2 2 381.539 3.963 20 0 GHADLP CSC(C)(C)C[C@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001258345561 1044520816 /nfs/dbraw/zinc/52/08/16/1044520816.db2.gz ARQRUWDDTHCPKK-DLBZAZTESA-N 2 2 399.645 3.970 20 0 GHADLP CSC(C)(C)C[C@H](C)[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001258345561 1044520832 /nfs/dbraw/zinc/52/08/32/1044520832.db2.gz ARQRUWDDTHCPKK-DLBZAZTESA-N 2 2 399.645 3.970 20 0 GHADLP CCOC(=O)CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001258475300 1044575340 /nfs/dbraw/zinc/57/53/40/1044575340.db2.gz DXTQAXGXCYXPET-OAHLLOKOSA-N 2 2 386.458 3.991 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CC1(C)C ZINC001258559030 1044637587 /nfs/dbraw/zinc/63/75/87/1044637587.db2.gz OGNLUOUJNAQJMX-SFHVURJKSA-N 2 2 377.573 3.582 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1(C)C ZINC001258559030 1044637596 /nfs/dbraw/zinc/63/75/96/1044637596.db2.gz OGNLUOUJNAQJMX-SFHVURJKSA-N 2 2 377.573 3.582 20 0 GHADLP CCC[NH+]1CCC([NH2+]Cc2cncn2Cc2cccc(C(F)(F)F)c2)CC1 ZINC001258770565 1044756892 /nfs/dbraw/zinc/75/68/92/1044756892.db2.gz MUOKUNKPRPWXSR-UHFFFAOYSA-N 2 2 380.458 3.914 20 0 GHADLP COc1cc(C[C@H](C)[NH+]2CCC([NH+]3CCCCC3)CC2)cc(OC)c1OC ZINC001258870329 1044812013 /nfs/dbraw/zinc/81/20/13/1044812013.db2.gz SIWOAEVUTYOCJS-KRWDZBQOSA-N 2 2 376.541 3.594 20 0 GHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NC[C@@H]2CSCC[NH2+]2)n1 ZINC001307199530 1045154651 /nfs/dbraw/zinc/15/46/51/1045154651.db2.gz UFZNCXFRLCEBSS-OAHLLOKOSA-N 2 2 399.589 3.537 20 0 GHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000583748088 1046634197 /nfs/dbraw/zinc/63/41/97/1046634197.db2.gz QEJWIRTYKGHIJD-IAGOWNOFSA-N 2 2 395.469 3.707 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)o1 ZINC001301663282 1046647587 /nfs/dbraw/zinc/64/75/87/1046647587.db2.gz UPRFJVYMHRYDSH-SFHVURJKSA-N 2 2 375.900 3.562 20 0 GHADLP Brc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)s1 ZINC001279397479 1047793080 /nfs/dbraw/zinc/79/30/80/1047793080.db2.gz FTURVJUPUINYTE-UHFFFAOYSA-N 2 2 380.355 3.937 20 0 GHADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3nc(Br)sc3c1)C2 ZINC001280270836 1048155302 /nfs/dbraw/zinc/15/53/02/1048155302.db2.gz ZZAUDZNEKLASCL-KRWDZBQOSA-N 2 2 380.355 3.977 20 0 GHADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3nc(Br)sc3c1)C2 ZINC001280270836 1048155308 /nfs/dbraw/zinc/15/53/08/1048155308.db2.gz ZZAUDZNEKLASCL-KRWDZBQOSA-N 2 2 380.355 3.977 20 0 GHADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc3nc(Br)sc3c1)C2 ZINC001280270836 1048155316 /nfs/dbraw/zinc/15/53/16/1048155316.db2.gz ZZAUDZNEKLASCL-KRWDZBQOSA-N 2 2 380.355 3.977 20 0 GHADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc3nc(Br)sc3c1)C2 ZINC001280270836 1048155325 /nfs/dbraw/zinc/15/53/25/1048155325.db2.gz ZZAUDZNEKLASCL-KRWDZBQOSA-N 2 2 380.355 3.977 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+]3CCC[C@@H]3C(C)(C)C)n2)CC1 ZINC001307506752 1049349258 /nfs/dbraw/zinc/34/92/58/1049349258.db2.gz OTFMLYXOCRFNEM-QGZVFWFLSA-N 2 2 378.586 3.824 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+]3CCC[C@@H]3C(C)(C)C)n2)CC1 ZINC001307506752 1049349271 /nfs/dbraw/zinc/34/92/71/1049349271.db2.gz OTFMLYXOCRFNEM-QGZVFWFLSA-N 2 2 378.586 3.824 20 0 GHADLP CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001307583832 1049423529 /nfs/dbraw/zinc/42/35/29/1049423529.db2.gz QTGIBUINHYWNNO-PKTZIBPZSA-N 2 2 379.548 3.503 20 0 GHADLP CNC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001307583832 1049423536 /nfs/dbraw/zinc/42/35/36/1049423536.db2.gz QTGIBUINHYWNNO-PKTZIBPZSA-N 2 2 379.548 3.503 20 0 GHADLP CNC(=O)[C@@H]1CCCC[NH+]1C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307583832 1049423540 /nfs/dbraw/zinc/42/35/40/1049423540.db2.gz QTGIBUINHYWNNO-PKTZIBPZSA-N 2 2 379.548 3.503 20 0 GHADLP CNC(=O)[C@@H]1CCCC[NH+]1C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307583832 1049423545 /nfs/dbraw/zinc/42/35/45/1049423545.db2.gz QTGIBUINHYWNNO-PKTZIBPZSA-N 2 2 379.548 3.503 20 0 GHADLP CC[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)[C@H]1CC1(C)C ZINC001307851961 1049634354 /nfs/dbraw/zinc/63/43/54/1049634354.db2.gz GXUDZZUZZYUUBX-SJORKVTESA-N 2 2 378.586 3.728 20 0 GHADLP Cc1cccc(NC(=O)C[NH+](C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001307886492 1049667186 /nfs/dbraw/zinc/66/71/86/1049667186.db2.gz VARSYRTVYQTIAS-BGYRXZFFSA-N 2 2 395.547 3.675 20 0 GHADLP Cc1cccc(NC(=O)C[NH+](C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001307886492 1049667194 /nfs/dbraw/zinc/66/71/94/1049667194.db2.gz VARSYRTVYQTIAS-BGYRXZFFSA-N 2 2 395.547 3.675 20 0 GHADLP Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001307886492 1049667197 /nfs/dbraw/zinc/66/71/97/1049667197.db2.gz VARSYRTVYQTIAS-BGYRXZFFSA-N 2 2 395.547 3.675 20 0 GHADLP Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001307886492 1049667203 /nfs/dbraw/zinc/66/72/03/1049667203.db2.gz VARSYRTVYQTIAS-BGYRXZFFSA-N 2 2 395.547 3.675 20 0 GHADLP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001290416897 1049833175 /nfs/dbraw/zinc/83/31/75/1049833175.db2.gz YOISARMBZJHPGB-HDICACEKSA-N 2 2 382.508 3.761 20 0 GHADLP Cc1c(-c2cc(C[N@@H+]3CCC[C@H](c4c[nH+]cn4C(C)(C)C)C3)on2)cnn1C ZINC001308165864 1049896281 /nfs/dbraw/zinc/89/62/81/1049896281.db2.gz RFUSQWZQEHLXBE-INIZCTEOSA-N 2 2 382.512 3.715 20 0 GHADLP Cc1c(-c2cc(C[N@H+]3CCC[C@H](c4c[nH+]cn4C(C)(C)C)C3)on2)cnn1C ZINC001308165864 1049896285 /nfs/dbraw/zinc/89/62/85/1049896285.db2.gz RFUSQWZQEHLXBE-INIZCTEOSA-N 2 2 382.512 3.715 20 0 GHADLP CSCc1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC001308227463 1049919994 /nfs/dbraw/zinc/91/99/94/1049919994.db2.gz LZQVXMYBCNGZID-UHFFFAOYSA-N 2 2 386.561 3.550 20 0 GHADLP Cc1cccc2[nH]cc(CC[NH2+]Cc3ccc(OCC[NH+]4CCOCC4)cc3)c21 ZINC001308246194 1049925630 /nfs/dbraw/zinc/92/56/30/1049925630.db2.gz FYONQSHZHNUXSH-UHFFFAOYSA-N 2 2 393.531 3.520 20 0 GHADLP Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001308655193 1050049905 /nfs/dbraw/zinc/04/99/05/1050049905.db2.gz AVRQPMPLUZBNFC-QGZVFWFLSA-N 2 2 377.435 3.745 20 0 GHADLP Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001308655193 1050049908 /nfs/dbraw/zinc/04/99/08/1050049908.db2.gz AVRQPMPLUZBNFC-QGZVFWFLSA-N 2 2 377.435 3.745 20 0 GHADLP C[C@H]1CN(c2ccccc2C[NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC001308709642 1050067028 /nfs/dbraw/zinc/06/70/28/1050067028.db2.gz PMQRKWMPDFOLEF-CPJSRVTESA-N 2 2 393.575 3.912 20 0 GHADLP C[C@H]1CN(c2ccccc2C[NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001308709642 1050067034 /nfs/dbraw/zinc/06/70/34/1050067034.db2.gz PMQRKWMPDFOLEF-CPJSRVTESA-N 2 2 393.575 3.912 20 0 GHADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(OC(F)F)ccc2Br)C1 ZINC001308748361 1050080520 /nfs/dbraw/zinc/08/05/20/1050080520.db2.gz SRLJRCSFCQJUAR-WBMJQRKESA-N 2 2 389.284 3.967 20 0 GHADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(OC(F)F)ccc2Br)C1 ZINC001308748361 1050080526 /nfs/dbraw/zinc/08/05/26/1050080526.db2.gz SRLJRCSFCQJUAR-WBMJQRKESA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(OC(F)F)ccc2Br)C1 ZINC001308748361 1050080529 /nfs/dbraw/zinc/08/05/29/1050080529.db2.gz SRLJRCSFCQJUAR-WBMJQRKESA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(OC(F)F)ccc2Br)C1 ZINC001308748361 1050080532 /nfs/dbraw/zinc/08/05/32/1050080532.db2.gz SRLJRCSFCQJUAR-WBMJQRKESA-N 2 2 389.284 3.967 20 0 GHADLP C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001308753939 1050083119 /nfs/dbraw/zinc/08/31/19/1050083119.db2.gz WFEFXOZUKGXZCO-HYBUGGRVSA-N 2 2 380.532 3.981 20 0 GHADLP C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001308753939 1050083124 /nfs/dbraw/zinc/08/31/24/1050083124.db2.gz WFEFXOZUKGXZCO-HYBUGGRVSA-N 2 2 380.532 3.981 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001308841823 1050119492 /nfs/dbraw/zinc/11/94/92/1050119492.db2.gz ZNHOGQJSMZEXPU-QIJUGHKUSA-N 2 2 397.563 3.838 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001308841823 1050119505 /nfs/dbraw/zinc/11/95/05/1050119505.db2.gz ZNHOGQJSMZEXPU-QIJUGHKUSA-N 2 2 397.563 3.838 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1c(C(F)(F)F)cnn1C ZINC001308990436 1050250626 /nfs/dbraw/zinc/25/06/26/1050250626.db2.gz VZYBMALTXUPPRC-UHFFFAOYSA-N 2 2 394.445 3.743 20 0 GHADLP CN1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC001330080921 1050953769 /nfs/dbraw/zinc/95/37/69/1050953769.db2.gz HBICZMOCORXVAG-DNQXCXABSA-N 2 2 381.539 3.868 20 0 GHADLP C[N@@H+]1CC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC001330080921 1050953773 /nfs/dbraw/zinc/95/37/73/1050953773.db2.gz HBICZMOCORXVAG-DNQXCXABSA-N 2 2 381.539 3.868 20 0 GHADLP C[N@H+]1CC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC001330080921 1050953782 /nfs/dbraw/zinc/95/37/82/1050953782.db2.gz HBICZMOCORXVAG-DNQXCXABSA-N 2 2 381.539 3.868 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001334000747 1051882507 /nfs/dbraw/zinc/88/25/07/1051882507.db2.gz UOJNWRWXNXYAGB-CVEARBPZSA-N 2 2 399.495 3.598 20 0 GHADLP CC(C)[NH+](CCNC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)C(C)C ZINC001311421150 1052126254 /nfs/dbraw/zinc/12/62/54/1052126254.db2.gz SHLODFOIVCTUHN-SFHVURJKSA-N 2 2 377.577 3.646 20 0 GHADLP CN(C(=O)NCCC1CCCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001311446296 1052157096 /nfs/dbraw/zinc/15/70/96/1052157096.db2.gz CUEDBUAAGYAORV-YADHBBJMSA-N 2 2 392.632 3.935 20 0 GHADLP CN(C(=O)NCCC1CCCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001311446296 1052157097 /nfs/dbraw/zinc/15/70/97/1052157097.db2.gz CUEDBUAAGYAORV-YADHBBJMSA-N 2 2 392.632 3.935 20 0 GHADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001335893209 1052198419 /nfs/dbraw/zinc/19/84/19/1052198419.db2.gz SSABZBGHUNIWNM-HXUWFJFHSA-N 2 2 380.467 3.770 20 0 GHADLP CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001318552668 1054714552 /nfs/dbraw/zinc/71/45/52/1054714552.db2.gz IVFWKDGMVKMECH-AWEZNQCLSA-N 2 2 389.463 3.852 20 0 GHADLP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[C@@H]1CCCC[NH+]1Cc1cccnc1 ZINC001318717446 1054819345 /nfs/dbraw/zinc/81/93/45/1054819345.db2.gz NZSUXCUMSYPDDH-GOTSBHOMSA-N 2 2 398.595 3.597 20 0 GHADLP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CCCC[NH+]1Cc1cccnc1 ZINC001318717446 1054819356 /nfs/dbraw/zinc/81/93/56/1054819356.db2.gz NZSUXCUMSYPDDH-GOTSBHOMSA-N 2 2 398.595 3.597 20 0 GHADLP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001318717446 1054819372 /nfs/dbraw/zinc/81/93/72/1054819372.db2.gz NZSUXCUMSYPDDH-GOTSBHOMSA-N 2 2 398.595 3.597 20 0 GHADLP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001318717446 1054819393 /nfs/dbraw/zinc/81/93/93/1054819393.db2.gz NZSUXCUMSYPDDH-GOTSBHOMSA-N 2 2 398.595 3.597 20 0 GHADLP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001345078423 1054890171 /nfs/dbraw/zinc/89/01/71/1054890171.db2.gz VOCXDCJTGYFZIW-UHFFFAOYSA-N 2 2 375.398 3.642 20 0 GHADLP Cn1cc(-c2ccc(C[NH2+]C3CC([NH+]4CCC(C(F)(F)F)CC4)C3)cc2)cn1 ZINC001321202079 1056155910 /nfs/dbraw/zinc/15/59/10/1056155910.db2.gz DNSSUIFKXCSFMW-UHFFFAOYSA-N 2 2 392.469 3.982 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC001300614366 1056664087 /nfs/dbraw/zinc/66/40/87/1056664087.db2.gz ZGQMZNXKAQALAW-QGZVFWFLSA-N 2 2 379.614 3.512 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC001300614366 1056664095 /nfs/dbraw/zinc/66/40/95/1056664095.db2.gz ZGQMZNXKAQALAW-QGZVFWFLSA-N 2 2 379.614 3.512 20 0 GHADLP CC(C)C[C@@H](C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)NC(=O)OC(C)(C)C ZINC001323251484 1056944316 /nfs/dbraw/zinc/94/43/16/1056944316.db2.gz GDMZGJQGGCNSMA-ROUUACIJSA-N 2 2 378.561 3.614 20 0 GHADLP CC(C)C[C@@H](C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)NC(=O)OC(C)(C)C ZINC001323251484 1056944318 /nfs/dbraw/zinc/94/43/18/1056944318.db2.gz GDMZGJQGGCNSMA-ROUUACIJSA-N 2 2 378.561 3.614 20 0 GHADLP C[C@@H]([NH2+]Cc1cc(OCC(F)F)ccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001323605300 1056990652 /nfs/dbraw/zinc/99/06/52/1056990652.db2.gz JJQIIKCJHXJNHZ-AEFFLSMTSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@@H]([NH2+]Cc1cc(OCC(F)F)ccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001323605300 1056990654 /nfs/dbraw/zinc/99/06/54/1056990654.db2.gz JJQIIKCJHXJNHZ-AEFFLSMTSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(OCC(F)F)ccn1 ZINC001325039220 1057268609 /nfs/dbraw/zinc/26/86/09/1057268609.db2.gz PENLWADJFLKLRO-OXQOHEQNSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(OCC(F)F)ccn1 ZINC001325039220 1057268610 /nfs/dbraw/zinc/26/86/10/1057268610.db2.gz PENLWADJFLKLRO-OXQOHEQNSA-N 2 2 375.463 3.726 20 0 GHADLP CN(C(=O)c1ccc2c(c1)oc1ccccc12)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001325874641 1057378068 /nfs/dbraw/zinc/37/80/68/1057378068.db2.gz UAXFTYCSFDUDGR-IBGZPJMESA-N 2 2 391.515 3.827 20 0 GHADLP CN(C(=O)c1ccc2c(c1)oc1ccccc12)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001325874641 1057378075 /nfs/dbraw/zinc/37/80/75/1057378075.db2.gz UAXFTYCSFDUDGR-IBGZPJMESA-N 2 2 391.515 3.827 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC001326429064 1057481855 /nfs/dbraw/zinc/48/18/55/1057481855.db2.gz AWYDRXLYLWYJFJ-IBGZPJMESA-N 2 2 392.503 3.560 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC001326429064 1057481857 /nfs/dbraw/zinc/48/18/57/1057481857.db2.gz AWYDRXLYLWYJFJ-IBGZPJMESA-N 2 2 392.503 3.560 20 0 GHADLP CC[C@@H](C)c1nc(C)c(CC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(C)n1 ZINC001326779788 1057555563 /nfs/dbraw/zinc/55/55/63/1057555563.db2.gz DIHNUQAOVBNRBE-CYBMUJFWSA-N 2 2 378.480 3.677 20 0 GHADLP CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000849055618 1057566159 /nfs/dbraw/zinc/56/61/59/1057566159.db2.gz PYAHSYDMEYLPMA-UHFFFAOYSA-N 2 2 393.491 3.865 20 0 GHADLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1cccc(OC(F)(F)F)c1 ZINC000849083537 1057586428 /nfs/dbraw/zinc/58/64/28/1057586428.db2.gz XEAXFOGTKODIQT-UHFFFAOYSA-N 2 2 375.354 3.907 20 0 GHADLP C[NH+](C)[C@@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000849091246 1057590899 /nfs/dbraw/zinc/59/08/99/1057590899.db2.gz OBEQXHAOLSWGGT-KRWDZBQOSA-N 2 2 398.404 3.641 20 0 GHADLP C[C@@H](C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[NH+]1CCCCCC1 ZINC001448621192 1060230295 /nfs/dbraw/zinc/23/02/95/1060230295.db2.gz QEZGNUPCHKDOQM-SFHVURJKSA-N 2 2 388.943 3.830 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001454503375 1061808543 /nfs/dbraw/zinc/80/85/43/1061808543.db2.gz YNXXUDKFOYPRPU-QPPBQGQZSA-N 2 2 391.559 3.947 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001454503375 1061808571 /nfs/dbraw/zinc/80/85/71/1061808571.db2.gz YNXXUDKFOYPRPU-QPPBQGQZSA-N 2 2 391.559 3.947 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)o2)[C@@H]1c1ccc(F)cc1 ZINC001545813803 1062019223 /nfs/dbraw/zinc/01/92/23/1062019223.db2.gz OVCMZFYOCZABBK-CTNGQTDRSA-N 2 2 385.483 3.580 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)o2)[C@@H]1c1ccc(F)cc1 ZINC001545813803 1062019252 /nfs/dbraw/zinc/01/92/52/1062019252.db2.gz OVCMZFYOCZABBK-CTNGQTDRSA-N 2 2 385.483 3.580 20 0 GHADLP O=C(NCCCCn1cc[nH+]c1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001347498089 1062438146 /nfs/dbraw/zinc/43/81/46/1062438146.db2.gz UNCXYRXICCITGT-FRIKZZABSA-N 2 2 395.551 3.548 20 0 GHADLP O=C(NCCCCn1cc[nH+]c1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001347498089 1062438164 /nfs/dbraw/zinc/43/81/64/1062438164.db2.gz UNCXYRXICCITGT-FRIKZZABSA-N 2 2 395.551 3.548 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H](O)c1cc2ccccc2o1 ZINC001347642239 1062546822 /nfs/dbraw/zinc/54/68/22/1062546822.db2.gz LJCYNGIWQZRLOX-JOCHJYFZSA-N 3 2 399.579 3.594 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H](O)c1cc2ccccc2o1 ZINC001347642239 1062546843 /nfs/dbraw/zinc/54/68/43/1062546843.db2.gz LJCYNGIWQZRLOX-JOCHJYFZSA-N 3 2 399.579 3.594 20 0 GHADLP C[N@H+](C[C@H](O)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC001459521037 1064119478 /nfs/dbraw/zinc/11/94/78/1064119478.db2.gz PSIIVNMMFYIESR-SFHVURJKSA-N 2 2 387.351 3.539 20 0 GHADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC001459521037 1064119482 /nfs/dbraw/zinc/11/94/82/1064119482.db2.gz PSIIVNMMFYIESR-SFHVURJKSA-N 2 2 387.351 3.539 20 0 GHADLP COc1ccc([C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[NH+]2CCCCC2)cc1 ZINC001463663366 1064537128 /nfs/dbraw/zinc/53/71/28/1064537128.db2.gz ZSYBMYWBDVILDS-NRFANRHFSA-N 2 2 378.476 3.529 20 0 GHADLP CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001464377050 1064978664 /nfs/dbraw/zinc/97/86/64/1064978664.db2.gz PNZZBLFYDBLWCY-FQEVSTJZSA-N 2 2 391.987 3.885 20 0 GHADLP CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001464377050 1064978671 /nfs/dbraw/zinc/97/86/71/1064978671.db2.gz PNZZBLFYDBLWCY-FQEVSTJZSA-N 2 2 391.987 3.885 20 0 GHADLP CCC[C@H]1CN(C(=O)C[NH+](C)CCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001546153496 1065900534 /nfs/dbraw/zinc/90/05/34/1065900534.db2.gz PBXDHIATCDJTAW-DEOSSOPVSA-N 2 2 393.575 3.674 20 0 GHADLP CCC[C@H]1CN(C(=O)C[NH+](C)CCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001546153496 1065900537 /nfs/dbraw/zinc/90/05/37/1065900537.db2.gz PBXDHIATCDJTAW-DEOSSOPVSA-N 2 2 393.575 3.674 20 0 GHADLP CCC[C@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001546153496 1065900548 /nfs/dbraw/zinc/90/05/48/1065900548.db2.gz PBXDHIATCDJTAW-DEOSSOPVSA-N 2 2 393.575 3.674 20 0 GHADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC001477598981 1078484705 /nfs/dbraw/zinc/48/47/05/1078484705.db2.gz WHOLJQSRJLSTAY-UOMAQRANSA-N 2 2 398.595 3.538 20 0 GHADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC001477598981 1078484709 /nfs/dbraw/zinc/48/47/09/1078484709.db2.gz WHOLJQSRJLSTAY-UOMAQRANSA-N 2 2 398.595 3.538 20 0 GHADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)Nc1ccccc1Nc1cc[nH+]cc1 ZINC001467663380 1067405642 /nfs/dbraw/zinc/40/56/42/1067405642.db2.gz KSCHEWOTHXTYNG-INIZCTEOSA-N 2 2 375.354 3.576 20 0 GHADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C)C1CC1 ZINC001468463340 1067740864 /nfs/dbraw/zinc/74/08/64/1067740864.db2.gz ZQQASXISGDAURK-NRFANRHFSA-N 2 2 391.987 3.883 20 0 GHADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C)C1CC1 ZINC001468463340 1067740872 /nfs/dbraw/zinc/74/08/72/1067740872.db2.gz ZQQASXISGDAURK-NRFANRHFSA-N 2 2 391.987 3.883 20 0 GHADLP CC[NH+](CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C)C1CC1 ZINC001468463340 1067740881 /nfs/dbraw/zinc/74/08/81/1067740881.db2.gz ZQQASXISGDAURK-NRFANRHFSA-N 2 2 391.987 3.883 20 0 GHADLP CC[NH+](CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C)C1CC1 ZINC001468463340 1067740892 /nfs/dbraw/zinc/74/08/92/1067740892.db2.gz ZQQASXISGDAURK-NRFANRHFSA-N 2 2 391.987 3.883 20 0 GHADLP CC(C)(C)OC(=O)NC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCC1 ZINC000849350995 1067817919 /nfs/dbraw/zinc/81/79/19/1067817919.db2.gz QTUKKQMZVAJTKJ-UHFFFAOYSA-N 2 2 376.526 3.861 20 0 GHADLP O=C(Cc1c[nH+]c[nH]1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001468804238 1067890812 /nfs/dbraw/zinc/89/08/12/1067890812.db2.gz WQZWARGNYNTIFZ-JOCHJYFZSA-N 2 2 380.536 3.636 20 0 GHADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)[NH+](C)C ZINC001470094868 1068569274 /nfs/dbraw/zinc/56/92/74/1068569274.db2.gz OPRUMSIHRXRGIQ-PGRDOPGGSA-N 2 2 395.551 3.667 20 0 GHADLP O=C(NC[C@H]1CC[NH+]1Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001470376003 1068709135 /nfs/dbraw/zinc/70/91/35/1068709135.db2.gz RUCGVCGFHMKOOB-DHIUTWEWSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(NC[C@H]1CC[NH+]1Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001470376003 1068709148 /nfs/dbraw/zinc/70/91/48/1068709148.db2.gz RUCGVCGFHMKOOB-DHIUTWEWSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001470376003 1068709157 /nfs/dbraw/zinc/70/91/57/1068709157.db2.gz RUCGVCGFHMKOOB-DHIUTWEWSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001470376003 1068709164 /nfs/dbraw/zinc/70/91/64/1068709164.db2.gz RUCGVCGFHMKOOB-DHIUTWEWSA-N 2 2 395.522 3.571 20 0 GHADLP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001460625406 1069039607 /nfs/dbraw/zinc/03/96/07/1069039607.db2.gz GZEQHPZZRFEWCC-GMAHTHKFSA-N 2 2 385.596 3.629 20 0 GHADLP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001460625406 1069039627 /nfs/dbraw/zinc/03/96/27/1069039627.db2.gz GZEQHPZZRFEWCC-GMAHTHKFSA-N 2 2 385.596 3.629 20 0 GHADLP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001460625408 1069040111 /nfs/dbraw/zinc/04/01/11/1069040111.db2.gz GZEQHPZZRFEWCC-JTHBVZDNSA-N 2 2 385.596 3.629 20 0 GHADLP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001460625408 1069040130 /nfs/dbraw/zinc/04/01/30/1069040130.db2.gz GZEQHPZZRFEWCC-JTHBVZDNSA-N 2 2 385.596 3.629 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)cc1 ZINC001470634962 1072658360 /nfs/dbraw/zinc/65/83/60/1072658360.db2.gz BTGPDIVIQRVCMC-NRFANRHFSA-N 2 2 385.939 3.969 20 0 GHADLP CCNc1cc(CNC(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)cc[nH+]1 ZINC001478770925 1078982284 /nfs/dbraw/zinc/98/22/84/1078982284.db2.gz POTQXQVGWGJFTP-OAQYLSRUSA-N 2 2 397.567 3.814 20 0 GHADLP FCc1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001473131397 1073796113 /nfs/dbraw/zinc/79/61/13/1073796113.db2.gz ZKRZIWONDMVVQF-FQEVSTJZSA-N 2 2 382.527 3.585 20 0 GHADLP FCc1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001473131397 1073796116 /nfs/dbraw/zinc/79/61/16/1073796116.db2.gz ZKRZIWONDMVVQF-FQEVSTJZSA-N 2 2 382.527 3.585 20 0 GHADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2nsc3ccccc32)CC1 ZINC001473250329 1073889759 /nfs/dbraw/zinc/88/97/59/1073889759.db2.gz HWHXFFWSMPWCAG-UHFFFAOYSA-N 2 2 396.560 3.559 20 0 GHADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001473586092 1074033290 /nfs/dbraw/zinc/03/32/90/1074033290.db2.gz BVLPKCCQBKHDAB-MRXNPFEDSA-N 2 2 397.910 3.982 20 0 GHADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001473586092 1074033297 /nfs/dbraw/zinc/03/32/97/1074033297.db2.gz BVLPKCCQBKHDAB-MRXNPFEDSA-N 2 2 397.910 3.982 20 0 GHADLP COc1cc2ccccc2cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001474020111 1074238178 /nfs/dbraw/zinc/23/81/78/1074238178.db2.gz JUOLYBLNVGDPFY-DNQXCXABSA-N 2 2 390.527 3.821 20 0 GHADLP COc1cc2ccccc2cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001474020111 1074238185 /nfs/dbraw/zinc/23/81/85/1074238185.db2.gz JUOLYBLNVGDPFY-DNQXCXABSA-N 2 2 390.527 3.821 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577080 609137793 /nfs/dbraw/zinc/13/77/93/609137793.db2.gz GKPLHNVEGRWGSQ-SJLPKXTDSA-N 2 2 394.498 3.569 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577080 609137794 /nfs/dbraw/zinc/13/77/94/609137794.db2.gz GKPLHNVEGRWGSQ-SJLPKXTDSA-N 2 2 394.498 3.569 20 0 GHADLP CC(C)[N@H+]1[C@@H]2CCN(c3ccc(C(C)(C)C)c[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843707 720647979 /nfs/dbraw/zinc/64/79/79/720647979.db2.gz XASVLTPMHHLWCX-SESVDKBCSA-N 2 2 381.568 3.953 20 0 GHADLP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(C(C)(C)C)c[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843707 720647989 /nfs/dbraw/zinc/64/79/89/720647989.db2.gz XASVLTPMHHLWCX-SESVDKBCSA-N 2 2 381.568 3.953 20 0 GHADLP CC(C)(C)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]c1 ZINC001164973832 722157008 /nfs/dbraw/zinc/15/70/08/722157008.db2.gz MOUIDRHGMQQHKO-PZJWPPBQSA-N 2 2 380.536 3.501 20 0 GHADLP CC(C)(C)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]c1 ZINC001164973832 722157015 /nfs/dbraw/zinc/15/70/15/722157015.db2.gz MOUIDRHGMQQHKO-PZJWPPBQSA-N 2 2 380.536 3.501 20 0 GHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nc(C[NH+]3CCC[C@@H](C)C3)cs2)C[C@H]1C ZINC000530777406 837441895 /nfs/dbraw/zinc/44/18/95/837441895.db2.gz FZCUMBKCMXLSOO-NUJGCVRESA-N 2 2 393.601 3.712 20 0 GHADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2nc(C[NH+]3CCC[C@@H](C)C3)cs2)C[C@H]1C ZINC000530777406 837441903 /nfs/dbraw/zinc/44/19/03/837441903.db2.gz FZCUMBKCMXLSOO-NUJGCVRESA-N 2 2 393.601 3.712 20 0 GHADLP CC[NH+]1CC[C@H](N(C)C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C[C@H]1C ZINC000530777406 837441905 /nfs/dbraw/zinc/44/19/05/837441905.db2.gz FZCUMBKCMXLSOO-NUJGCVRESA-N 2 2 393.601 3.712 20 0 GHADLP CC[NH+]1CC[C@H](N(C)C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C[C@H]1C ZINC000530777406 837441913 /nfs/dbraw/zinc/44/19/13/837441913.db2.gz FZCUMBKCMXLSOO-NUJGCVRESA-N 2 2 393.601 3.712 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000655689686 837681281 /nfs/dbraw/zinc/68/12/81/837681281.db2.gz JYLSAOTYILIARG-WZONZLPQSA-N 2 2 393.531 3.843 20 0 GHADLP c1ccc(COC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000655716595 837721486 /nfs/dbraw/zinc/72/14/86/837721486.db2.gz YUJAUMSQABSJKL-DNQXCXABSA-N 2 2 380.532 3.787 20 0 GHADLP CCn1nc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c2ccccc21 ZINC000274532834 834382034 /nfs/dbraw/zinc/38/20/34/834382034.db2.gz RLJCHWGUKXXLOH-UHFFFAOYSA-N 2 2 378.524 3.594 20 0 GHADLP C[N@H+](CCN(Cc1ccccc1)C(=O)CCc1c[nH]c[nH+]1)Cc1ccccc1 ZINC000501755826 834632472 /nfs/dbraw/zinc/63/24/72/834632472.db2.gz XJPGLEQSJUFZLQ-UHFFFAOYSA-N 2 2 376.504 3.503 20 0 GHADLP C[N@@H+](CCN(Cc1ccccc1)C(=O)CCc1c[nH]c[nH+]1)Cc1ccccc1 ZINC000501755826 834632484 /nfs/dbraw/zinc/63/24/84/834632484.db2.gz XJPGLEQSJUFZLQ-UHFFFAOYSA-N 2 2 376.504 3.503 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)COc2ccccc2Cl)c(C)c1 ZINC000583626278 834771630 /nfs/dbraw/zinc/77/16/30/834771630.db2.gz KZQZOJFTCYMQIR-RXVVDRJESA-N 2 2 399.922 3.924 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC000431572776 834939971 /nfs/dbraw/zinc/93/99/71/834939971.db2.gz XYDWTTIIJKXEMT-HSZRJFAPSA-N 2 2 390.531 3.673 20 0 GHADLP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)C(F)(F)F)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000579824691 835224204 /nfs/dbraw/zinc/22/42/04/835224204.db2.gz RBSAAYWLGJVDGW-BPLDGKMQSA-N 2 2 384.364 3.601 20 0 GHADLP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)C(F)(F)F)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000579824691 835224210 /nfs/dbraw/zinc/22/42/10/835224210.db2.gz RBSAAYWLGJVDGW-BPLDGKMQSA-N 2 2 384.364 3.601 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CSC2 ZINC000658185584 835491681 /nfs/dbraw/zinc/49/16/81/835491681.db2.gz JCXBANWAANIZOW-SJLPKXTDSA-N 2 2 397.382 3.580 20 0 GHADLP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cnn1-c1cc(C)ccc1C ZINC000658294286 835558875 /nfs/dbraw/zinc/55/88/75/835558875.db2.gz MMRGXDJGUXJWTI-GHTZIAJQSA-N 2 2 382.552 3.701 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000278664204 835738966 /nfs/dbraw/zinc/73/89/66/835738966.db2.gz QRAGUXUKUDLKFN-SFHVURJKSA-N 2 2 393.535 3.836 20 0 GHADLP Cn1cc([C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2cccc(F)c2)cn1 ZINC000180068711 836053875 /nfs/dbraw/zinc/05/38/75/836053875.db2.gz NKAPDTROKJKVNH-HSZRJFAPSA-N 2 2 389.478 3.726 20 0 GHADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000612409853 836192684 /nfs/dbraw/zinc/19/26/84/836192684.db2.gz FZDMFXSOZXCCJC-YLJYHZDGSA-N 2 2 393.487 3.607 20 0 GHADLP C[N@H+](CCc1ccccc1)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000613449945 836408142 /nfs/dbraw/zinc/40/81/42/836408142.db2.gz FBFLNDPDKGBBEU-JOCHJYFZSA-N 2 2 399.966 3.768 20 0 GHADLP C[N@@H+](CCc1ccccc1)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000613449945 836408149 /nfs/dbraw/zinc/40/81/49/836408149.db2.gz FBFLNDPDKGBBEU-JOCHJYFZSA-N 2 2 399.966 3.768 20 0 GHADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nnc(-c4ccccc4)s3)CC2)C[C@H](C)O1 ZINC000155163108 836491899 /nfs/dbraw/zinc/49/18/99/836491899.db2.gz FMJCVUIBEYWCPP-CALCHBBNSA-N 2 2 386.565 3.526 20 0 GHADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nnc(-c4ccccc4)s3)CC2)C[C@H](C)O1 ZINC000155163108 836491902 /nfs/dbraw/zinc/49/19/02/836491902.db2.gz FMJCVUIBEYWCPP-CALCHBBNSA-N 2 2 386.565 3.526 20 0 GHADLP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000188366540 837004190 /nfs/dbraw/zinc/00/41/90/837004190.db2.gz SVPOGHOKMKQULW-GOSISDBHSA-N 2 2 398.551 3.743 20 0 GHADLP C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000175822802 837028708 /nfs/dbraw/zinc/02/87/08/837028708.db2.gz HUAROLIBVSZVKD-IFMALSPDSA-N 2 2 398.595 3.524 20 0 GHADLP CCOC1CC(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000510952906 844239319 /nfs/dbraw/zinc/23/93/19/844239319.db2.gz PKZUPXZFNWRFMT-UHFFFAOYSA-N 2 2 382.302 3.556 20 0 GHADLP CCOC1CC(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000510952906 844239326 /nfs/dbraw/zinc/23/93/26/844239326.db2.gz PKZUPXZFNWRFMT-UHFFFAOYSA-N 2 2 382.302 3.556 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCSc2ccc(F)cc2F)CC1 ZINC000659863468 837874536 /nfs/dbraw/zinc/87/45/36/837874536.db2.gz JHBIPCDUWHXCBZ-CALCHBBNSA-N 2 2 383.552 3.547 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCSc2ccc(F)cc2F)CC1 ZINC000659863468 837874551 /nfs/dbraw/zinc/87/45/51/837874551.db2.gz JHBIPCDUWHXCBZ-CALCHBBNSA-N 2 2 383.552 3.547 20 0 GHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CCn4cc[nH+]c4C2)CCC3)cc1 ZINC000547979655 838193524 /nfs/dbraw/zinc/19/35/24/838193524.db2.gz MGYCVSXZANVXKL-DOTOQJQBSA-N 2 2 380.517 3.997 20 0 GHADLP C[C@@H](c1cccc(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)c1)[NH+]1CCOCC1 ZINC000659291269 838214600 /nfs/dbraw/zinc/21/46/00/838214600.db2.gz FQUSQEKIVFMJIY-LAUBAEHRSA-N 2 2 393.531 3.711 20 0 GHADLP C[NH2+]CCCC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000178758264 838232522 /nfs/dbraw/zinc/23/25/22/838232522.db2.gz HNPHZVMSGOCOJS-JOCHJYFZSA-N 2 2 385.939 3.573 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(C(F)(F)F)ccc3F)CC2)CC1 ZINC000271197200 838279270 /nfs/dbraw/zinc/27/92/70/838279270.db2.gz HYQJWBNHHDLUHG-UHFFFAOYSA-N 2 2 387.465 3.835 20 0 GHADLP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000182088316 838324267 /nfs/dbraw/zinc/32/42/67/838324267.db2.gz ZNSNGIZPMPCFJR-OAHLLOKOSA-N 2 2 377.916 3.936 20 0 GHADLP CCOc1c(Cl)cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000182088316 838324272 /nfs/dbraw/zinc/32/42/72/838324272.db2.gz ZNSNGIZPMPCFJR-OAHLLOKOSA-N 2 2 377.916 3.936 20 0 GHADLP CC[N@H+](Cc1c[nH]c2nccnc12)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000378131745 838477899 /nfs/dbraw/zinc/47/78/99/838477899.db2.gz PDFKQFGVZIVPMJ-UHFFFAOYSA-N 2 2 393.539 3.622 20 0 GHADLP CC[N@@H+](Cc1c[nH]c2nccnc12)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000378131745 838477904 /nfs/dbraw/zinc/47/79/04/838477904.db2.gz PDFKQFGVZIVPMJ-UHFFFAOYSA-N 2 2 393.539 3.622 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000549401697 838627074 /nfs/dbraw/zinc/62/70/74/838627074.db2.gz VCHBCKIMNQZVIW-GHTZIAJQSA-N 2 2 381.568 3.971 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000549401697 838627076 /nfs/dbraw/zinc/62/70/76/838627076.db2.gz VCHBCKIMNQZVIW-GHTZIAJQSA-N 2 2 381.568 3.971 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000549401697 838627087 /nfs/dbraw/zinc/62/70/87/838627087.db2.gz VCHBCKIMNQZVIW-GHTZIAJQSA-N 2 2 381.568 3.971 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000549401697 838627091 /nfs/dbraw/zinc/62/70/91/838627091.db2.gz VCHBCKIMNQZVIW-GHTZIAJQSA-N 2 2 381.568 3.971 20 0 GHADLP O=C(CC[N@@H+]1CCc2ccccc2C1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000416151911 838639826 /nfs/dbraw/zinc/63/98/26/838639826.db2.gz SZPGEHMQXFBYOH-UHFFFAOYSA-N 2 2 392.547 3.527 20 0 GHADLP O=C(CC[N@H+]1CCc2ccccc2C1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000416151911 838639830 /nfs/dbraw/zinc/63/98/30/838639830.db2.gz SZPGEHMQXFBYOH-UHFFFAOYSA-N 2 2 392.547 3.527 20 0 GHADLP C[C@@](CO)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000511538859 838739270 /nfs/dbraw/zinc/73/92/70/838739270.db2.gz CMHSKJWAFQMWLJ-IBGZPJMESA-N 2 2 386.293 3.632 20 0 GHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c2ccccc21 ZINC000580062749 838791418 /nfs/dbraw/zinc/79/14/18/838791418.db2.gz CJLUTJWRNSSJOB-BRWVUGGUSA-N 2 2 375.394 3.545 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000376891258 838818139 /nfs/dbraw/zinc/81/81/39/838818139.db2.gz AEOQKIKLKYFGLO-XEDHWARRSA-N 2 2 383.511 3.941 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000376891258 838818153 /nfs/dbraw/zinc/81/81/53/838818153.db2.gz AEOQKIKLKYFGLO-XEDHWARRSA-N 2 2 383.511 3.941 20 0 GHADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(F)c(Br)c3)CC2)C[C@H](C)O1 ZINC000110431939 844447638 /nfs/dbraw/zinc/44/76/38/844447638.db2.gz NBFBPIKDLTXBFG-GJZGRUSLSA-N 2 2 399.348 3.909 20 0 GHADLP CC[N@@H+](Cc1c2c(nn1C)CCSC2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000894076157 844477767 /nfs/dbraw/zinc/47/77/67/844477767.db2.gz KALKABKFYPQUSM-IBGZPJMESA-N 2 2 384.593 3.553 20 0 GHADLP CC[N@H+](Cc1c2c(nn1C)CCSC2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000894076157 844477773 /nfs/dbraw/zinc/47/77/73/844477773.db2.gz KALKABKFYPQUSM-IBGZPJMESA-N 2 2 384.593 3.553 20 0 GHADLP CC[NH+](Cc1c2c(nn1C)CCSC2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894076157 844477782 /nfs/dbraw/zinc/47/77/82/844477782.db2.gz KALKABKFYPQUSM-IBGZPJMESA-N 2 2 384.593 3.553 20 0 GHADLP CC[NH+](Cc1c2c(nn1C)CCSC2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894076157 844477787 /nfs/dbraw/zinc/47/77/87/844477787.db2.gz KALKABKFYPQUSM-IBGZPJMESA-N 2 2 384.593 3.553 20 0 GHADLP C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cccc21 ZINC000684089140 840302144 /nfs/dbraw/zinc/30/21/44/840302144.db2.gz MHNNWCMFBITQOR-FQEVSTJZSA-N 2 2 376.460 3.569 20 0 GHADLP CC(=O)Nc1cc(Br)ccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000894172400 844538383 /nfs/dbraw/zinc/53/83/83/844538383.db2.gz SFSJXHUCINHNIA-UHFFFAOYSA-N 2 2 380.330 3.514 20 0 GHADLP C[NH+](C)CCN(CC1CCCCC1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000580885131 840379184 /nfs/dbraw/zinc/37/91/84/840379184.db2.gz BNUBCSNJUFDTCO-UHFFFAOYSA-N 2 2 397.567 3.585 20 0 GHADLP COC(=O)c1c(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)nc2ccccc2c1-c1ccccc1 ZINC000584720685 840669208 /nfs/dbraw/zinc/66/92/08/840669208.db2.gz MVQALKFMUIWDCJ-APWZRJJASA-N 2 2 389.499 3.858 20 0 GHADLP COC(=O)c1c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)nc2ccccc2c1-c1ccccc1 ZINC000584720685 840669214 /nfs/dbraw/zinc/66/92/14/840669214.db2.gz MVQALKFMUIWDCJ-APWZRJJASA-N 2 2 389.499 3.858 20 0 GHADLP CC[NH+](CC)CCCC1CC[NH+]([C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000543870122 840755593 /nfs/dbraw/zinc/75/55/93/840755593.db2.gz OEAYGMLBQHODPL-FQEVSTJZSA-N 2 2 393.522 3.904 20 0 GHADLP COc1cccc2c(N3CCN(C4CC[NH+](C(C)C)CC4)CC3)cc(C)[nH+]c12 ZINC000433525245 844572494 /nfs/dbraw/zinc/57/24/94/844572494.db2.gz OEAGREZDCOSNCI-UHFFFAOYSA-N 2 2 382.552 3.547 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cc(-c4cnn(C)c4C)no3)C2)s1 ZINC000581134998 840779284 /nfs/dbraw/zinc/77/92/84/840779284.db2.gz IYJDBQYPENNLJK-QGZVFWFLSA-N 2 2 399.564 3.707 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cc(-c4cnn(C)c4C)no3)C2)s1 ZINC000581134998 840779291 /nfs/dbraw/zinc/77/92/91/840779291.db2.gz IYJDBQYPENNLJK-QGZVFWFLSA-N 2 2 399.564 3.707 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cc(-c4cnn(C)c4C)no3)C2)s1 ZINC000581134998 840779301 /nfs/dbraw/zinc/77/93/01/840779301.db2.gz IYJDBQYPENNLJK-QGZVFWFLSA-N 2 2 399.564 3.707 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cc(-c4cnn(C)c4C)no3)C2)s1 ZINC000581134998 840779308 /nfs/dbraw/zinc/77/93/08/840779308.db2.gz IYJDBQYPENNLJK-QGZVFWFLSA-N 2 2 399.564 3.707 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(Br)cn1 ZINC000581226151 840886694 /nfs/dbraw/zinc/88/66/94/840886694.db2.gz YVONVKDWSWERQI-OAHLLOKOSA-N 2 2 390.325 3.527 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H](C4CCCCC4)C3)CC2)CC1 ZINC000660575914 840947588 /nfs/dbraw/zinc/94/75/88/840947588.db2.gz YBPUGTGBWMNJPN-FQEVSTJZSA-N 2 2 390.616 3.547 20 0 GHADLP COc1ccc([C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)c2ccccn2)cc1 ZINC000652145160 841181293 /nfs/dbraw/zinc/18/12/93/841181293.db2.gz FONADNBPDPFMQR-XMMPIXPASA-N 2 2 391.515 3.910 20 0 GHADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662791981 841634784 /nfs/dbraw/zinc/63/47/84/841634784.db2.gz UIRZMNQDWDZENU-UTKZUKDTSA-N 2 2 395.522 3.723 20 0 GHADLP CC(C)[C@@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[NH+]1CCCCCC1 ZINC000500223710 841684946 /nfs/dbraw/zinc/68/49/46/841684946.db2.gz YOVFHBBCWUUBRJ-JOCHJYFZSA-N 2 2 397.567 3.631 20 0 GHADLP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000118999971 841853245 /nfs/dbraw/zinc/85/32/45/841853245.db2.gz KOZBHFJSCFWGNT-JFHVBQFUSA-N 2 2 395.551 3.531 20 0 GHADLP COc1cc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc(OC)c1OC ZINC000177934225 861286686 /nfs/dbraw/zinc/28/66/86/861286686.db2.gz FQYAXADCOGMUSI-INIZCTEOSA-N 2 2 381.476 3.808 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)[C@H]1CC[NH3+] ZINC000652354589 842352956 /nfs/dbraw/zinc/35/29/56/842352956.db2.gz CMWAFZFHLIJWHG-PWSUYJOCSA-N 2 2 385.331 3.510 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)[C@H]1CC[NH3+] ZINC000652354589 842352967 /nfs/dbraw/zinc/35/29/67/842352967.db2.gz CMWAFZFHLIJWHG-PWSUYJOCSA-N 2 2 385.331 3.510 20 0 GHADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Br)cc(F)c2F)C1 ZINC000652363316 842371013 /nfs/dbraw/zinc/37/10/13/842371013.db2.gz AWBIYMSYDZQERY-KBMXLJTQSA-N 2 2 389.284 3.588 20 0 GHADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)cc(F)c2F)C1 ZINC000652363316 842371023 /nfs/dbraw/zinc/37/10/23/842371023.db2.gz AWBIYMSYDZQERY-KBMXLJTQSA-N 2 2 389.284 3.588 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000471767899 842425360 /nfs/dbraw/zinc/42/53/60/842425360.db2.gz HULONWYDDKBOHW-GMAHTHKFSA-N 2 2 388.515 3.685 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccsc1 ZINC000066987140 842636566 /nfs/dbraw/zinc/63/65/66/842636566.db2.gz IYWMUBVDIAVXET-FQEVSTJZSA-N 2 2 397.548 3.816 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000648162175 842649533 /nfs/dbraw/zinc/64/95/33/842649533.db2.gz MXMLIPJSNJAVGQ-KSZLIROESA-N 2 2 378.303 3.555 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000648162175 842649540 /nfs/dbraw/zinc/64/95/40/842649540.db2.gz MXMLIPJSNJAVGQ-KSZLIROESA-N 2 2 378.303 3.555 20 0 GHADLP C[C@@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178554150 842945693 /nfs/dbraw/zinc/94/56/93/842945693.db2.gz HUQOFQFKNDGJKM-DNVCBOLYSA-N 2 2 375.394 3.973 20 0 GHADLP CC[C@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)CC[C@H]1[NH3+] ZINC000662271699 843048914 /nfs/dbraw/zinc/04/89/14/843048914.db2.gz YIOHZNZYUVFDNL-WCQYABFASA-N 2 2 395.263 3.949 20 0 GHADLP CC[C@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)CC[C@H]1[NH3+] ZINC000662271699 843048924 /nfs/dbraw/zinc/04/89/24/843048924.db2.gz YIOHZNZYUVFDNL-WCQYABFASA-N 2 2 395.263 3.949 20 0 GHADLP C[C@@H](c1ccccc1)[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000512246386 843211624 /nfs/dbraw/zinc/21/16/24/843211624.db2.gz TZXPXKYIFXVSNV-IBGZPJMESA-N 2 2 393.531 3.683 20 0 GHADLP C[C@@H](c1ccccc1)[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000512246386 843211634 /nfs/dbraw/zinc/21/16/34/843211634.db2.gz TZXPXKYIFXVSNV-IBGZPJMESA-N 2 2 393.531 3.683 20 0 GHADLP COc1cc(Br)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663347751 843271171 /nfs/dbraw/zinc/27/11/71/843271171.db2.gz UKBGSTIUBDPMLY-OAHLLOKOSA-N 2 2 397.357 3.678 20 0 GHADLP COc1cc(Br)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663347751 843271179 /nfs/dbraw/zinc/27/11/79/843271179.db2.gz UKBGSTIUBDPMLY-OAHLLOKOSA-N 2 2 397.357 3.678 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614001486 843382325 /nfs/dbraw/zinc/38/23/25/843382325.db2.gz WOMSPAWCHWYDLW-JOCHJYFZSA-N 2 2 396.579 3.639 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614001486 843382338 /nfs/dbraw/zinc/38/23/38/843382338.db2.gz WOMSPAWCHWYDLW-JOCHJYFZSA-N 2 2 396.579 3.639 20 0 GHADLP [NH3+]CCC[C@@H](NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000418673382 843525591 /nfs/dbraw/zinc/52/55/91/843525591.db2.gz NKJKHULCGKQOHB-OXHGWOFKSA-N 2 2 392.547 3.507 20 0 GHADLP COc1ccccc1C[C@H](C)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1 ZINC000431072569 843542386 /nfs/dbraw/zinc/54/23/86/843542386.db2.gz SXXVNCFDYFXKMJ-KRWDZBQOSA-N 2 2 394.519 3.905 20 0 GHADLP COc1ccccc1C[C@H](C)[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1 ZINC000431072569 843542394 /nfs/dbraw/zinc/54/23/94/843542394.db2.gz SXXVNCFDYFXKMJ-KRWDZBQOSA-N 2 2 394.519 3.905 20 0 GHADLP CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])c3ccccc3)cc2Cl)CC1 ZINC000236805790 843708274 /nfs/dbraw/zinc/70/82/74/843708274.db2.gz JLWCYBGWMYRVMP-FQEVSTJZSA-N 2 2 386.927 3.511 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000152101005 844719890 /nfs/dbraw/zinc/71/98/90/844719890.db2.gz ADDHSGSCFRHVCW-IBGZPJMESA-N 3 2 378.520 3.723 20 0 GHADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000512667621 844963897 /nfs/dbraw/zinc/96/38/97/844963897.db2.gz FJUMWGXKTONNEZ-YXMLYAQVSA-N 2 2 394.538 3.768 20 0 GHADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000512667621 844963901 /nfs/dbraw/zinc/96/39/01/844963901.db2.gz FJUMWGXKTONNEZ-YXMLYAQVSA-N 2 2 394.538 3.768 20 0 GHADLP CCOc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000512688704 845039428 /nfs/dbraw/zinc/03/94/28/845039428.db2.gz CFDQPHNGBSCROG-JOCHJYFZSA-N 2 2 394.563 3.515 20 0 GHADLP CCOc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000512688704 845039440 /nfs/dbraw/zinc/03/94/40/845039440.db2.gz CFDQPHNGBSCROG-JOCHJYFZSA-N 2 2 394.563 3.515 20 0 GHADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000261823744 845135003 /nfs/dbraw/zinc/13/50/03/845135003.db2.gz SUNFVZKWDBOESB-NFBKMPQASA-N 2 2 388.515 3.590 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000513310708 845210354 /nfs/dbraw/zinc/21/03/54/845210354.db2.gz PEYZSGVLDVJMTL-UHFFFAOYSA-N 2 2 376.504 3.703 20 0 GHADLP C[C@]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000411382361 845376690 /nfs/dbraw/zinc/37/66/90/845376690.db2.gz CBFXGGDHJUIVPD-JOCHJYFZSA-N 2 2 385.939 3.816 20 0 GHADLP Cc1csc2nc(C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc(=O)n12 ZINC000156956197 845778089 /nfs/dbraw/zinc/77/80/89/845778089.db2.gz HZQBSPGNOUEDFB-OXQOHEQNSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1csc2nc(C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc(=O)n12 ZINC000156956197 845778094 /nfs/dbraw/zinc/77/80/94/845778094.db2.gz HZQBSPGNOUEDFB-OXQOHEQNSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1csc2nc(C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cc(=O)n12 ZINC000156956197 845778100 /nfs/dbraw/zinc/77/81/00/845778100.db2.gz HZQBSPGNOUEDFB-OXQOHEQNSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1csc2nc(C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cc(=O)n12 ZINC000156956197 845778108 /nfs/dbraw/zinc/77/81/08/845778108.db2.gz HZQBSPGNOUEDFB-OXQOHEQNSA-N 2 2 396.560 3.549 20 0 GHADLP CC(C)[C@H](CO)[N@H+](Cc1ccccc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001167529232 846071360 /nfs/dbraw/zinc/07/13/60/846071360.db2.gz FGDLEYQBHGVCAF-DEOSSOPVSA-N 2 2 382.548 3.538 20 0 GHADLP CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001167529232 846071367 /nfs/dbraw/zinc/07/13/67/846071367.db2.gz FGDLEYQBHGVCAF-DEOSSOPVSA-N 2 2 382.548 3.538 20 0 GHADLP Cc1nc2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2o1 ZINC000279997783 846261828 /nfs/dbraw/zinc/26/18/28/846261828.db2.gz KWFQRFJNCPNWEV-RTWAWAEBSA-N 2 2 398.551 3.545 20 0 GHADLP Cc1nc2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2o1 ZINC000279997783 846261838 /nfs/dbraw/zinc/26/18/38/846261838.db2.gz KWFQRFJNCPNWEV-RTWAWAEBSA-N 2 2 398.551 3.545 20 0 GHADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000582095800 846344713 /nfs/dbraw/zinc/34/47/13/846344713.db2.gz MQYNTIRGRYZXAZ-CTNGQTDRSA-N 2 2 385.556 3.661 20 0 GHADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000582095800 846344723 /nfs/dbraw/zinc/34/47/23/846344723.db2.gz MQYNTIRGRYZXAZ-CTNGQTDRSA-N 2 2 385.556 3.661 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(F)c(F)c1F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000657349263 846429826 /nfs/dbraw/zinc/42/98/26/846429826.db2.gz PBWFMTRFFOQTKE-ZDUSSCGKSA-N 2 2 381.417 3.846 20 0 GHADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000502883537 846595547 /nfs/dbraw/zinc/59/55/47/846595547.db2.gz RMIVDNAYBKSYMU-UHFFFAOYSA-N 2 2 376.504 3.504 20 0 GHADLP Cc1ncsc1-c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000657373543 846705131 /nfs/dbraw/zinc/70/51/31/846705131.db2.gz YQWVOGUYCXHXAH-HSZRJFAPSA-N 2 2 393.556 3.845 20 0 GHADLP Cc1ncsc1-c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000657373543 846705142 /nfs/dbraw/zinc/70/51/42/846705142.db2.gz YQWVOGUYCXHXAH-HSZRJFAPSA-N 2 2 393.556 3.845 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1OCCc2sccc21 ZINC000429130080 861714095 /nfs/dbraw/zinc/71/40/95/861714095.db2.gz BYDBCOZBNQTVGK-LQBOVUBWSA-N 2 2 386.561 3.631 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1OCCc2sccc21 ZINC000429130080 861714104 /nfs/dbraw/zinc/71/41/04/861714104.db2.gz BYDBCOZBNQTVGK-LQBOVUBWSA-N 2 2 386.561 3.631 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000503065579 846763412 /nfs/dbraw/zinc/76/34/12/846763412.db2.gz WSZIAJMUXHKCJV-FHZYATBESA-N 2 2 398.526 3.953 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000503065579 846763418 /nfs/dbraw/zinc/76/34/18/846763418.db2.gz WSZIAJMUXHKCJV-FHZYATBESA-N 2 2 398.526 3.953 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)c3cc4ccccc4o3)CC2)CC1 ZINC000422015557 846768633 /nfs/dbraw/zinc/76/86/33/846768633.db2.gz GXXWOLRGVBTKHJ-GOSISDBHSA-N 2 2 383.536 3.555 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)c3cc4ccccc4o3)CC2)CC1 ZINC000422015557 846768638 /nfs/dbraw/zinc/76/86/38/846768638.db2.gz GXXWOLRGVBTKHJ-GOSISDBHSA-N 2 2 383.536 3.555 20 0 GHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000582301545 846810936 /nfs/dbraw/zinc/81/09/36/846810936.db2.gz KVZKDVXEQMAPEB-PMACEKPBSA-N 2 2 388.515 3.589 20 0 GHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000582301545 846810947 /nfs/dbraw/zinc/81/09/47/846810947.db2.gz KVZKDVXEQMAPEB-PMACEKPBSA-N 2 2 388.515 3.589 20 0 GHADLP CCC[NH+](CCC)CCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434167228 846832563 /nfs/dbraw/zinc/83/25/63/846832563.db2.gz JYRYVVSYSRGKSH-UHFFFAOYSA-N 2 2 389.588 3.621 20 0 GHADLP Cc1cscc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000272056973 846981213 /nfs/dbraw/zinc/98/12/13/846981213.db2.gz RKTQQQJYTMXOFK-OALUTQOASA-N 2 2 378.586 3.857 20 0 GHADLP Cc1cscc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000272056973 846981223 /nfs/dbraw/zinc/98/12/23/846981223.db2.gz RKTQQQJYTMXOFK-OALUTQOASA-N 2 2 378.586 3.857 20 0 GHADLP CCn1cc(Cl)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001268968205 847102651 /nfs/dbraw/zinc/10/26/51/847102651.db2.gz ZJNJUWPKTYAGHM-RBUKOAKNSA-N 2 2 394.991 3.571 20 0 GHADLP CCn1cc(Cl)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001268968205 847102657 /nfs/dbraw/zinc/10/26/57/847102657.db2.gz ZJNJUWPKTYAGHM-RBUKOAKNSA-N 2 2 394.991 3.571 20 0 GHADLP Cc1ccc([C@@H](NC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)c2cccs2)cc1 ZINC000420362370 847138881 /nfs/dbraw/zinc/13/88/81/847138881.db2.gz OCGVKUSKRBVXBF-DENIHFKCSA-N 2 2 385.577 3.759 20 0 GHADLP C[C@@H](Nc1ccc([NH+]2CCC(O)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272857686 847191702 /nfs/dbraw/zinc/19/17/02/847191702.db2.gz UGQVDYIXUCGSJI-CTNGQTDRSA-N 2 2 379.548 3.970 20 0 GHADLP C[C@@H](Nc1ccc([NH+]2CCC(O)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272857686 847191705 /nfs/dbraw/zinc/19/17/05/847191705.db2.gz UGQVDYIXUCGSJI-CTNGQTDRSA-N 2 2 379.548 3.970 20 0 GHADLP CCC[C@H](NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)C1CCCC1 ZINC000422216818 847475492 /nfs/dbraw/zinc/47/54/92/847475492.db2.gz WBOLPJOGGQNJKA-NRFANRHFSA-N 2 2 378.605 3.547 20 0 GHADLP CCC[C@H](NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)C1CCCC1 ZINC000422216818 847475495 /nfs/dbraw/zinc/47/54/95/847475495.db2.gz WBOLPJOGGQNJKA-NRFANRHFSA-N 2 2 378.605 3.547 20 0 GHADLP c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420897581 847517076 /nfs/dbraw/zinc/51/70/76/847517076.db2.gz BBQKRZKEAJTMCR-XMMPIXPASA-N 3 2 385.596 3.607 20 0 GHADLP c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420897581 847517084 /nfs/dbraw/zinc/51/70/84/847517084.db2.gz BBQKRZKEAJTMCR-XMMPIXPASA-N 3 2 385.596 3.607 20 0 GHADLP COc1cc(C[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)ccc1SC ZINC000420903194 847521391 /nfs/dbraw/zinc/52/13/91/847521391.db2.gz NROFZJQLVYQMMT-UHFFFAOYSA-N 2 2 386.561 3.881 20 0 GHADLP COc1cc(C[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)ccc1SC ZINC000420903194 847521399 /nfs/dbraw/zinc/52/13/99/847521399.db2.gz NROFZJQLVYQMMT-UHFFFAOYSA-N 2 2 386.561 3.881 20 0 GHADLP COc1ccccc1[C@@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)[NH+]1CCCCC1 ZINC000420911747 847530727 /nfs/dbraw/zinc/53/07/27/847530727.db2.gz HLSGFRLRROMVKK-OAQYLSRUSA-N 2 2 396.535 3.733 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(N2CCCC2)c1 ZINC000420931647 847551786 /nfs/dbraw/zinc/55/17/86/847551786.db2.gz GLPCIHCPMKRGKI-HXUWFJFHSA-N 2 2 379.548 3.970 20 0 GHADLP CC(C)[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccsc1 ZINC000421009881 847609072 /nfs/dbraw/zinc/60/90/72/847609072.db2.gz NXBVHMWVHUEKFV-GOSISDBHSA-N 2 2 386.565 3.653 20 0 GHADLP CC(C)[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccsc1 ZINC000421009881 847609078 /nfs/dbraw/zinc/60/90/78/847609078.db2.gz NXBVHMWVHUEKFV-GOSISDBHSA-N 2 2 386.565 3.653 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051756058 847649572 /nfs/dbraw/zinc/64/95/72/847649572.db2.gz UYWSWDBDJPAIDN-UHFFFAOYSA-N 2 2 398.551 3.761 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cc(C)c(C)cc3Cl)CC2)CC1 ZINC000421116689 847737025 /nfs/dbraw/zinc/73/70/25/847737025.db2.gz RYXCWNSDULDXKL-UHFFFAOYSA-N 2 2 392.975 3.981 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cc(C)c(C)cc3Cl)CC2)CC1 ZINC000421116689 847737032 /nfs/dbraw/zinc/73/70/32/847737032.db2.gz RYXCWNSDULDXKL-UHFFFAOYSA-N 2 2 392.975 3.981 20 0 GHADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000503520416 847765150 /nfs/dbraw/zinc/76/51/50/847765150.db2.gz FFDIHKJKUDKMHI-QZTJIDSGSA-N 2 2 381.923 3.607 20 0 GHADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000503520416 847765155 /nfs/dbraw/zinc/76/51/55/847765155.db2.gz FFDIHKJKUDKMHI-QZTJIDSGSA-N 2 2 381.923 3.607 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000422734351 847789203 /nfs/dbraw/zinc/78/92/03/847789203.db2.gz COUIVMHVKFBOMS-LGIULTMTSA-N 2 2 385.371 3.589 20 0 GHADLP COc1ccc([C@@H](NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422899430 847877891 /nfs/dbraw/zinc/87/78/91/847877891.db2.gz HNNVURHNAUTIQK-RBBKRZOGSA-N 2 2 380.467 3.603 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422899821 847877971 /nfs/dbraw/zinc/87/79/71/847877971.db2.gz PGVLCKHSZIFRRZ-ZQMYSKGWSA-N 2 2 383.511 3.744 20 0 GHADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000422968806 847921414 /nfs/dbraw/zinc/92/14/14/847921414.db2.gz XTWXRLNYAMVPHS-RDPSFJRHSA-N 3 2 393.575 3.806 20 0 GHADLP OC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1c(Cl)cccc1Cl ZINC000423092464 847975618 /nfs/dbraw/zinc/97/56/18/847975618.db2.gz BYZNIZNSGDTVGS-ABSDTBQOSA-N 2 2 393.314 3.872 20 0 GHADLP COCCc1ccc(OC[C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000667912449 861899261 /nfs/dbraw/zinc/89/92/61/861899261.db2.gz ILTAYTZWGLXSIV-VQTJNVASSA-N 2 2 397.563 3.853 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1c2ccccc2CCc2ccccc21 ZINC000685035917 848514488 /nfs/dbraw/zinc/51/44/88/848514488.db2.gz RKRQSHIYFDVSMM-NRFANRHFSA-N 2 2 386.499 3.984 20 0 GHADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1c2ccccc2CCc2ccccc21 ZINC000685035917 848514494 /nfs/dbraw/zinc/51/44/94/848514494.db2.gz RKRQSHIYFDVSMM-NRFANRHFSA-N 2 2 386.499 3.984 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000192346592 861923774 /nfs/dbraw/zinc/92/37/74/861923774.db2.gz ODKNCDKALKYJEP-OALUTQOASA-N 2 2 391.604 3.624 20 0 GHADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccncc3OCCC[NH+](C)C)CC2)C1 ZINC000582927924 848712784 /nfs/dbraw/zinc/71/27/84/848712784.db2.gz CKKWEWRBXWZNPI-SIKLNZKXSA-N 3 2 388.600 3.545 20 0 GHADLP C[C@@H]([NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1nnc2n1CCCCC2 ZINC000582940828 848728180 /nfs/dbraw/zinc/72/81/80/848728180.db2.gz HXQDCGMUDGTFJT-MJGOQNOKSA-N 2 2 395.551 3.643 20 0 GHADLP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000153633946 848808647 /nfs/dbraw/zinc/80/86/47/848808647.db2.gz VABQBUDQFJSHIA-ZDUSSCGKSA-N 2 2 387.846 3.567 20 0 GHADLP C[NH+]1CCC(CNC(=O)CCCc2ccccc2Cl)([NH+]2CCCCC2)CC1 ZINC000582995370 848844701 /nfs/dbraw/zinc/84/47/01/848844701.db2.gz LCQFPMZQPYDOIM-UHFFFAOYSA-N 2 2 391.987 3.729 20 0 GHADLP CCCOc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cn1 ZINC000180129773 861969915 /nfs/dbraw/zinc/96/99/15/861969915.db2.gz NCPRWTBZIASNTG-UHFFFAOYSA-N 2 2 388.943 3.565 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCn3cnc4ccccc43)CC2)cc1 ZINC000161563954 849238729 /nfs/dbraw/zinc/23/87/29/849238729.db2.gz HARFIMWWPHHFCZ-UHFFFAOYSA-N 2 2 377.536 3.751 20 0 GHADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000535985536 849517181 /nfs/dbraw/zinc/51/71/81/849517181.db2.gz XHNSUTXHCBOJJM-OAQYLSRUSA-N 2 2 397.567 3.741 20 0 GHADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000535985536 849517190 /nfs/dbraw/zinc/51/71/90/849517190.db2.gz XHNSUTXHCBOJJM-OAQYLSRUSA-N 2 2 397.567 3.741 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)Cc1ccccc1C(F)(F)F ZINC000583301691 849568772 /nfs/dbraw/zinc/56/87/72/849568772.db2.gz RKAPUEZATIHLON-INIZCTEOSA-N 2 2 393.384 3.723 20 0 GHADLP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(OCCC)c1 ZINC000657751179 849621872 /nfs/dbraw/zinc/62/18/72/849621872.db2.gz JIMYQIONUDNZEG-HXUWFJFHSA-N 2 2 376.541 3.607 20 0 GHADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750971 849622664 /nfs/dbraw/zinc/62/26/64/849622664.db2.gz LXONZUKVSSWMJP-UWJYYQICSA-N 2 2 377.548 3.651 20 0 GHADLP Clc1sc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000657752536 849641162 /nfs/dbraw/zinc/64/11/62/849641162.db2.gz PKICJDJHMRXGNA-LLVKDONJSA-N 2 2 379.751 3.507 20 0 GHADLP CC(C)(CO)[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000583374213 849742630 /nfs/dbraw/zinc/74/26/30/849742630.db2.gz QDSNRMFLFJASLW-PZJWPPBQSA-N 2 2 388.577 3.688 20 0 GHADLP CC(C)(CO)[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000583374213 849742640 /nfs/dbraw/zinc/74/26/40/849742640.db2.gz QDSNRMFLFJASLW-PZJWPPBQSA-N 2 2 388.577 3.688 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H]3CCc4ccccc4NC3=O)C2)s1 ZINC000583384572 849760706 /nfs/dbraw/zinc/76/07/06/849760706.db2.gz YEQDDDQUYHDGKG-UTKZUKDTSA-N 2 2 383.561 3.764 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H]3CCc4ccccc4NC3=O)C2)s1 ZINC000583384572 849760710 /nfs/dbraw/zinc/76/07/10/849760710.db2.gz YEQDDDQUYHDGKG-UTKZUKDTSA-N 2 2 383.561 3.764 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H]3CCc4ccccc4NC3=O)C2)s1 ZINC000583384572 849760716 /nfs/dbraw/zinc/76/07/16/849760716.db2.gz YEQDDDQUYHDGKG-UTKZUKDTSA-N 2 2 383.561 3.764 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H]3CCc4ccccc4NC3=O)C2)s1 ZINC000583384572 849760724 /nfs/dbraw/zinc/76/07/24/849760724.db2.gz YEQDDDQUYHDGKG-UTKZUKDTSA-N 2 2 383.561 3.764 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000423164468 849778924 /nfs/dbraw/zinc/77/89/24/849778924.db2.gz SOUSYJOVQSBCST-YVWKXTFCSA-N 2 2 381.545 3.937 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC[NH2+]Cc3cccnc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423180254 849788371 /nfs/dbraw/zinc/78/83/71/849788371.db2.gz AONXGRGLLQJAOX-HJOGWXRNSA-N 3 2 378.564 3.594 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[NH2+]Cc3cccnc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423180254 849788378 /nfs/dbraw/zinc/78/83/78/849788378.db2.gz AONXGRGLLQJAOX-HJOGWXRNSA-N 3 2 378.564 3.594 20 0 GHADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(Br)c(F)c1 ZINC000423237110 849808377 /nfs/dbraw/zinc/80/83/77/849808377.db2.gz SWOZTECILBXTFE-LBPRGKRZSA-N 2 2 379.277 3.566 20 0 GHADLP C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425250580 849920675 /nfs/dbraw/zinc/92/06/75/849920675.db2.gz WHWVUBJKEBUDHU-FBBABVLZSA-N 2 2 380.536 3.701 20 0 GHADLP C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000425250580 849920682 /nfs/dbraw/zinc/92/06/82/849920682.db2.gz WHWVUBJKEBUDHU-FBBABVLZSA-N 2 2 380.536 3.701 20 0 GHADLP [NH3+]CCCN(Cc1ccccc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000414755375 850013728 /nfs/dbraw/zinc/01/37/28/850013728.db2.gz UBVSWLKGIRYGML-UHFFFAOYSA-N 2 2 387.553 3.512 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000423837900 850070773 /nfs/dbraw/zinc/07/07/73/850070773.db2.gz XJEWCRNKLPCMMN-XUVXKRRUSA-N 2 2 387.474 3.552 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000423837900 850070781 /nfs/dbraw/zinc/07/07/81/850070781.db2.gz XJEWCRNKLPCMMN-XUVXKRRUSA-N 2 2 387.474 3.552 20 0 GHADLP O=c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc(C2CC2)[nH]1 ZINC000514716631 850206369 /nfs/dbraw/zinc/20/63/69/850206369.db2.gz NMUNSOHHLRGMQB-HSZRJFAPSA-N 2 2 378.520 3.548 20 0 GHADLP O=c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc(C2CC2)[nH]1 ZINC000514716631 850206376 /nfs/dbraw/zinc/20/63/76/850206376.db2.gz NMUNSOHHLRGMQB-HSZRJFAPSA-N 2 2 378.520 3.548 20 0 GHADLP O=c1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc(C2CC2)[nH]1 ZINC000514716631 850206389 /nfs/dbraw/zinc/20/63/89/850206389.db2.gz NMUNSOHHLRGMQB-HSZRJFAPSA-N 2 2 378.520 3.548 20 0 GHADLP O=c1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc(C2CC2)[nH]1 ZINC000514716631 850206404 /nfs/dbraw/zinc/20/64/04/850206404.db2.gz NMUNSOHHLRGMQB-HSZRJFAPSA-N 2 2 378.520 3.548 20 0 GHADLP CCC1(CC)CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000486897913 850213334 /nfs/dbraw/zinc/21/33/34/850213334.db2.gz NZUTVNXIRYGDEV-UHFFFAOYSA-N 2 2 378.605 3.549 20 0 GHADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000424332768 850367132 /nfs/dbraw/zinc/36/71/32/850367132.db2.gz LHCGIONQIIXHAE-CHWSQXEVSA-N 2 2 383.336 3.522 20 0 GHADLP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cccc(-c3ccncc3)c2)CCC[N@@H+]1C ZINC000487073347 850422451 /nfs/dbraw/zinc/42/24/51/850422451.db2.gz KAFDFGPEIYRIER-JTHBVZDNSA-N 2 2 375.520 3.655 20 0 GHADLP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cccc(-c3ccncc3)c2)CCC[N@H+]1C ZINC000487073347 850422459 /nfs/dbraw/zinc/42/24/59/850422459.db2.gz KAFDFGPEIYRIER-JTHBVZDNSA-N 2 2 375.520 3.655 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1ccc(OC)c(Cl)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435426418 850508530 /nfs/dbraw/zinc/50/85/30/850508530.db2.gz HZHDHAWYACVCRR-IBGZPJMESA-N 2 2 388.943 3.709 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1ccc(OC)c(Cl)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435426418 850508535 /nfs/dbraw/zinc/50/85/35/850508535.db2.gz HZHDHAWYACVCRR-IBGZPJMESA-N 2 2 388.943 3.709 20 0 GHADLP COc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc(Br)c1OCc1ccccc1 ZINC000415007377 850656272 /nfs/dbraw/zinc/65/62/72/850656272.db2.gz CRCNLNJTDTVUSR-ZIAGYGMSSA-N 2 2 393.325 3.862 20 0 GHADLP CC[N@H+](Cc1nc(-c2ccc(Br)s2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435625421 850721120 /nfs/dbraw/zinc/72/11/20/850721120.db2.gz IDLWLZNKRNTXNO-LLVKDONJSA-N 2 2 385.331 3.525 20 0 GHADLP CC[N@@H+](Cc1nc(-c2ccc(Br)s2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435625421 850721127 /nfs/dbraw/zinc/72/11/27/850721127.db2.gz IDLWLZNKRNTXNO-LLVKDONJSA-N 2 2 385.331 3.525 20 0 GHADLP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000440208451 850918878 /nfs/dbraw/zinc/91/88/78/850918878.db2.gz ABBWVUUYZJJDKO-GOSISDBHSA-N 2 2 398.954 3.598 20 0 GHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2csc(-c3ccccn3)n2)cc1 ZINC000415010007 850955322 /nfs/dbraw/zinc/95/53/22/850955322.db2.gz UNJZVHRPNVIVQJ-APWZRJJASA-N 2 2 382.508 3.827 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000488139004 851196119 /nfs/dbraw/zinc/19/61/19/851196119.db2.gz NTVZFBCOXMEZFF-HXUWFJFHSA-N 2 2 376.504 3.849 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000488139004 851196126 /nfs/dbraw/zinc/19/61/26/851196126.db2.gz NTVZFBCOXMEZFF-HXUWFJFHSA-N 2 2 376.504 3.849 20 0 GHADLP Fc1ccc(Cn2cc(C[NH2+]CCC[N@@H+]3CCc4ccccc4C3)cn2)cc1 ZINC000436278056 851401295 /nfs/dbraw/zinc/40/12/95/851401295.db2.gz ATCUQJWTHWMBKT-UHFFFAOYSA-N 2 2 378.495 3.609 20 0 GHADLP Fc1ccc(Cn2cc(C[NH2+]CCC[N@H+]3CCc4ccccc4C3)cn2)cc1 ZINC000436278056 851401303 /nfs/dbraw/zinc/40/13/03/851401303.db2.gz ATCUQJWTHWMBKT-UHFFFAOYSA-N 2 2 378.495 3.609 20 0 GHADLP CC[NH+]1CCC([NH2+]Cc2c(C)nn(-c3ccc(Br)cc3)c2C)CC1 ZINC000048683585 851465224 /nfs/dbraw/zinc/46/52/24/851465224.db2.gz ZFIUQWJUKOVZDJ-UHFFFAOYSA-N 2 2 391.357 3.826 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CC4(CCC4)[C@H]3C3CCOCC3)C2)cc1 ZINC000425558902 851934684 /nfs/dbraw/zinc/93/46/84/851934684.db2.gz YHHFJRSBUOHEIQ-DHIUTWEWSA-N 2 2 384.564 3.559 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CC4(CCC4)[C@H]3C3CCOCC3)C2)cc1 ZINC000425558902 851934693 /nfs/dbraw/zinc/93/46/93/851934693.db2.gz YHHFJRSBUOHEIQ-DHIUTWEWSA-N 2 2 384.564 3.559 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CC4(CCC4)[C@H]3C3CCOCC3)C2)cc1 ZINC000425558902 851934701 /nfs/dbraw/zinc/93/47/01/851934701.db2.gz YHHFJRSBUOHEIQ-DHIUTWEWSA-N 2 2 384.564 3.559 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CC4(CCC4)[C@H]3C3CCOCC3)C2)cc1 ZINC000425558902 851934708 /nfs/dbraw/zinc/93/47/08/851934708.db2.gz YHHFJRSBUOHEIQ-DHIUTWEWSA-N 2 2 384.564 3.559 20 0 GHADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000150802407 852407865 /nfs/dbraw/zinc/40/78/65/852407865.db2.gz XONQRGDTGVLQFG-PKOBYXMFSA-N 2 2 384.524 3.998 20 0 GHADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000150802407 852407875 /nfs/dbraw/zinc/40/78/75/852407875.db2.gz XONQRGDTGVLQFG-PKOBYXMFSA-N 2 2 384.524 3.998 20 0 GHADLP C[C@@H](c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000518025407 852748763 /nfs/dbraw/zinc/74/87/63/852748763.db2.gz JZQVIZULPORUKU-CVDCTZTESA-N 2 2 393.531 3.683 20 0 GHADLP C[C@@H](c1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000518025407 852748771 /nfs/dbraw/zinc/74/87/71/852748771.db2.gz JZQVIZULPORUKU-CVDCTZTESA-N 2 2 393.531 3.683 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C ZINC000516620864 852804178 /nfs/dbraw/zinc/80/41/78/852804178.db2.gz PJDLYWQPUCMLMN-GBXCKJPGSA-N 2 2 391.515 3.723 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C ZINC000516620864 852804186 /nfs/dbraw/zinc/80/41/86/852804186.db2.gz PJDLYWQPUCMLMN-GBXCKJPGSA-N 2 2 391.515 3.723 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1nnc2n1CCCCC2 ZINC000507474585 852948019 /nfs/dbraw/zinc/94/80/19/852948019.db2.gz XSUWRAZQESPIQT-MYGLTJDJSA-N 2 2 393.579 3.956 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1nnc2n1CCCCC2 ZINC000507474585 852948025 /nfs/dbraw/zinc/94/80/25/852948025.db2.gz XSUWRAZQESPIQT-MYGLTJDJSA-N 2 2 393.579 3.956 20 0 GHADLP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000438881020 853051110 /nfs/dbraw/zinc/05/11/10/853051110.db2.gz JNOPBVQTTUTDQN-NRFANRHFSA-N 2 2 399.498 3.876 20 0 GHADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000439032545 853209546 /nfs/dbraw/zinc/20/95/46/853209546.db2.gz GBXLHWSQFOIUGB-GOSISDBHSA-N 2 2 393.535 3.836 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000519725482 853410229 /nfs/dbraw/zinc/41/02/29/853410229.db2.gz MZNCXODFLATANH-IFXJQAMLSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000519725482 853410235 /nfs/dbraw/zinc/41/02/35/853410235.db2.gz MZNCXODFLATANH-IFXJQAMLSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000519725482 853410243 /nfs/dbraw/zinc/41/02/43/853410243.db2.gz MZNCXODFLATANH-IFXJQAMLSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000519725482 853410247 /nfs/dbraw/zinc/41/02/47/853410247.db2.gz MZNCXODFLATANH-IFXJQAMLSA-N 2 2 391.357 3.715 20 0 GHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623851607 862468528 /nfs/dbraw/zinc/46/85/28/862468528.db2.gz COJUFNQUUMQOAP-YLJYHZDGSA-N 2 2 387.549 3.622 20 0 GHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623851607 862468531 /nfs/dbraw/zinc/46/85/31/862468531.db2.gz COJUFNQUUMQOAP-YLJYHZDGSA-N 2 2 387.549 3.622 20 0 GHADLP CC[N@H+](CC1(CC(=O)OC)CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440799594 853618660 /nfs/dbraw/zinc/61/86/60/853618660.db2.gz UOGQRZVZSNEQLD-UHFFFAOYSA-N 2 2 388.556 3.542 20 0 GHADLP CC[N@@H+](CC1(CC(=O)OC)CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440799594 853618665 /nfs/dbraw/zinc/61/86/65/853618665.db2.gz UOGQRZVZSNEQLD-UHFFFAOYSA-N 2 2 388.556 3.542 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cccc4c3NCCC4)CC2)cc1 ZINC000894903620 854037599 /nfs/dbraw/zinc/03/75/99/854037599.db2.gz SGAGFZAQNAHAKZ-UHFFFAOYSA-N 2 2 392.547 3.757 20 0 GHADLP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000588291459 854276523 /nfs/dbraw/zinc/27/65/23/854276523.db2.gz MZCVXNKJDJVOFK-UHFFFAOYSA-N 2 2 395.551 3.875 20 0 GHADLP CC(C)(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441419526 854292976 /nfs/dbraw/zinc/29/29/76/854292976.db2.gz JUUPVEDSBPKMIV-NZQKXSOJSA-N 2 2 397.607 3.592 20 0 GHADLP CC(C)(C)c1ccc(CCNC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441419526 854292985 /nfs/dbraw/zinc/29/29/85/854292985.db2.gz JUUPVEDSBPKMIV-NZQKXSOJSA-N 2 2 397.607 3.592 20 0 GHADLP CC(C)(C)c1ccc(CCNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441419526 854292991 /nfs/dbraw/zinc/29/29/91/854292991.db2.gz JUUPVEDSBPKMIV-NZQKXSOJSA-N 2 2 397.607 3.592 20 0 GHADLP CC(C)(C)c1ccc(CCNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441419526 854292999 /nfs/dbraw/zinc/29/29/99/854292999.db2.gz JUUPVEDSBPKMIV-NZQKXSOJSA-N 2 2 397.607 3.592 20 0 GHADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(Br)ccc3F)CC2)C[C@H](C)O1 ZINC000588709435 854368972 /nfs/dbraw/zinc/36/89/72/854368972.db2.gz BJGAYXNFDBNMDL-GJZGRUSLSA-N 2 2 399.348 3.909 20 0 GHADLP CCCN(CC[NH+]1CCCC1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458881612 854426399 /nfs/dbraw/zinc/42/63/99/854426399.db2.gz LGBJPDSZHDAYDZ-UHFFFAOYSA-N 2 2 389.931 3.543 20 0 GHADLP COc1ccc(Cl)cc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994714 854428996 /nfs/dbraw/zinc/42/89/96/854428996.db2.gz LXFRZLSDBSWTKU-YOFSQIOKSA-N 2 2 389.971 3.876 20 0 GHADLP COc1ccc(Cl)cc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994714 854429002 /nfs/dbraw/zinc/42/90/02/854429002.db2.gz LXFRZLSDBSWTKU-YOFSQIOKSA-N 2 2 389.971 3.876 20 0 GHADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000572474358 854514912 /nfs/dbraw/zinc/51/49/12/854514912.db2.gz KIJGTDMLONQDEL-DENIHFKCSA-N 2 2 394.563 3.872 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000070026877 854707920 /nfs/dbraw/zinc/70/79/20/854707920.db2.gz XKEGASPEGIQKTE-TZIWHRDSSA-N 2 2 389.609 3.547 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000070026877 854707923 /nfs/dbraw/zinc/70/79/23/854707923.db2.gz XKEGASPEGIQKTE-TZIWHRDSSA-N 2 2 389.609 3.547 20 0 GHADLP CC(C)[C@H]1OCCC[C@@H]1Nc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc[nH+]1 ZINC000330139079 862607586 /nfs/dbraw/zinc/60/75/86/862607586.db2.gz ORBOTXZWNMWAFH-XODKDNOYSA-N 2 2 387.572 3.544 20 0 GHADLP CC(C)[C@H]1OCCC[C@@H]1Nc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc[nH+]1 ZINC000330139079 862607597 /nfs/dbraw/zinc/60/75/97/862607597.db2.gz ORBOTXZWNMWAFH-XODKDNOYSA-N 2 2 387.572 3.544 20 0 GHADLP C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC001128011903 854825174 /nfs/dbraw/zinc/82/51/74/854825174.db2.gz UUWQDHCEMJRMDT-PIBZIWMISA-N 2 2 377.617 3.854 20 0 GHADLP C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC001128011903 854825175 /nfs/dbraw/zinc/82/51/75/854825175.db2.gz UUWQDHCEMJRMDT-PIBZIWMISA-N 2 2 377.617 3.854 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3cc(F)c(F)c(F)c3)CC2)c1 ZINC000590301567 855355475 /nfs/dbraw/zinc/35/54/75/855355475.db2.gz MCXAOEBHTLKRQI-UHFFFAOYSA-N 2 2 377.454 3.714 20 0 GHADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000591140029 855775685 /nfs/dbraw/zinc/77/56/85/855775685.db2.gz YRVDKPBXYDHUBV-NHCUHLMSSA-N 2 2 397.588 3.838 20 0 GHADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000591140029 855775701 /nfs/dbraw/zinc/77/57/01/855775701.db2.gz YRVDKPBXYDHUBV-NHCUHLMSSA-N 2 2 397.588 3.838 20 0 GHADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000591140029 855775709 /nfs/dbraw/zinc/77/57/09/855775709.db2.gz YRVDKPBXYDHUBV-NHCUHLMSSA-N 2 2 397.588 3.838 20 0 GHADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000591140029 855775713 /nfs/dbraw/zinc/77/57/13/855775713.db2.gz YRVDKPBXYDHUBV-NHCUHLMSSA-N 2 2 397.588 3.838 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000760841843 856158706 /nfs/dbraw/zinc/15/87/06/856158706.db2.gz ZYFSORUCPDFFOI-YMPZKCBVSA-N 2 2 383.580 3.764 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000760841843 856158713 /nfs/dbraw/zinc/15/87/13/856158713.db2.gz ZYFSORUCPDFFOI-YMPZKCBVSA-N 2 2 383.580 3.764 20 0 GHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000760841843 856158726 /nfs/dbraw/zinc/15/87/26/856158726.db2.gz ZYFSORUCPDFFOI-YMPZKCBVSA-N 2 2 383.580 3.764 20 0 GHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+]([C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000760841843 856158735 /nfs/dbraw/zinc/15/87/35/856158735.db2.gz ZYFSORUCPDFFOI-YMPZKCBVSA-N 2 2 383.580 3.764 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000573707805 856448531 /nfs/dbraw/zinc/44/85/31/856448531.db2.gz LFOAQWQGAFBLFX-YADHBBJMSA-N 2 2 388.515 3.885 20 0 GHADLP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000482217255 862817779 /nfs/dbraw/zinc/81/77/79/862817779.db2.gz GHOPEJOTPIGQSW-GOSISDBHSA-N 2 2 386.923 3.781 20 0 GHADLP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000482217255 862817792 /nfs/dbraw/zinc/81/77/92/862817792.db2.gz GHOPEJOTPIGQSW-GOSISDBHSA-N 2 2 386.923 3.781 20 0 GHADLP C[NH+]1CCC(CNC(=O)N[C@@H](c2ccccc2)C2CCC2)([NH+]2CCCCC2)CC1 ZINC000465908713 856882953 /nfs/dbraw/zinc/88/29/53/856882953.db2.gz WMCPQLXCXFEBRM-QFIPXVFZSA-N 2 2 398.595 3.777 20 0 GHADLP O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)CC2 ZINC000665250498 856943871 /nfs/dbraw/zinc/94/38/71/856943871.db2.gz SVSYRKJAHNOXSO-AWTPMGBWSA-N 2 2 375.516 3.554 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CC(=O)Nc2ccccc2)cc1 ZINC000665254686 857077500 /nfs/dbraw/zinc/07/75/00/857077500.db2.gz XASKGIXQLNIKLZ-HSQYWUDLSA-N 2 2 381.520 3.538 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000282166427 857077739 /nfs/dbraw/zinc/07/77/39/857077739.db2.gz DOXUAPGPTLHUQW-INIZCTEOSA-N 2 2 381.549 3.859 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CC(=O)N(C)c2ccccc2)cc1 ZINC000665255455 857107616 /nfs/dbraw/zinc/10/76/16/857107616.db2.gz STAJMKJOZPGYDH-TZYHBYERSA-N 2 2 395.547 3.562 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)n2)C1 ZINC000485885974 857192601 /nfs/dbraw/zinc/19/26/01/857192601.db2.gz YXVNUIOVPZKZLZ-QAPCUYQASA-N 2 2 376.570 3.721 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)n2)C1 ZINC000485885974 857192606 /nfs/dbraw/zinc/19/26/06/857192606.db2.gz YXVNUIOVPZKZLZ-QAPCUYQASA-N 2 2 376.570 3.721 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)n2)C1 ZINC000485885974 857192616 /nfs/dbraw/zinc/19/26/16/857192616.db2.gz YXVNUIOVPZKZLZ-QAPCUYQASA-N 2 2 376.570 3.721 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)n2)C1 ZINC000485885974 857192622 /nfs/dbraw/zinc/19/26/22/857192622.db2.gz YXVNUIOVPZKZLZ-QAPCUYQASA-N 2 2 376.570 3.721 20 0 GHADLP Cn1c2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc2oc1=O ZINC000508372962 857225495 /nfs/dbraw/zinc/22/54/95/857225495.db2.gz WKVVMJBOSJEJMW-DEOSSOPVSA-N 2 2 391.515 3.620 20 0 GHADLP Cn1c2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc2oc1=O ZINC000508372962 857225504 /nfs/dbraw/zinc/22/55/04/857225504.db2.gz WKVVMJBOSJEJMW-DEOSSOPVSA-N 2 2 391.515 3.620 20 0 GHADLP Cn1c2ccc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)cc2oc1=O ZINC000508372962 857225512 /nfs/dbraw/zinc/22/55/12/857225512.db2.gz WKVVMJBOSJEJMW-DEOSSOPVSA-N 2 2 391.515 3.620 20 0 GHADLP Cn1c2ccc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)cc2oc1=O ZINC000508372962 857225521 /nfs/dbraw/zinc/22/55/21/857225521.db2.gz WKVVMJBOSJEJMW-DEOSSOPVSA-N 2 2 391.515 3.620 20 0 GHADLP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295634 857268121 /nfs/dbraw/zinc/26/81/21/857268121.db2.gz OCRLVXMHHVQIJM-IEBWSBKVSA-N 2 2 381.358 3.613 20 0 GHADLP Cc1cc(Br)cc2c1[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CC2 ZINC000658296787 857277266 /nfs/dbraw/zinc/27/72/66/857277266.db2.gz VWEOJNVXPIKTQO-ZWKOTPCHSA-N 2 2 379.342 3.588 20 0 GHADLP C[NH+]1CCN([C@@H](C[NH2+]Cc2csc(C(C)(C)C)n2)c2cccs2)CC1 ZINC000520930732 857415619 /nfs/dbraw/zinc/41/56/19/857415619.db2.gz IYWVQABSPKKCIF-INIZCTEOSA-N 2 2 378.611 3.580 20 0 GHADLP CN(C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000486105483 857433010 /nfs/dbraw/zinc/43/30/10/857433010.db2.gz AITJJJJQLKUHBH-LEWJYISDSA-N 2 2 378.605 3.640 20 0 GHADLP CN(C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000486105483 857433013 /nfs/dbraw/zinc/43/30/13/857433013.db2.gz AITJJJJQLKUHBH-LEWJYISDSA-N 2 2 378.605 3.640 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(Nc2ccccc2)c1 ZINC000605306707 862922306 /nfs/dbraw/zinc/92/23/06/862922306.db2.gz VSBGIMJZAXBCEB-UHFFFAOYSA-N 2 2 380.536 3.528 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(Nc2ccccc2)c1 ZINC000605306707 862922321 /nfs/dbraw/zinc/92/23/21/862922321.db2.gz VSBGIMJZAXBCEB-UHFFFAOYSA-N 2 2 380.536 3.528 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1ccc(F)cc1 ZINC000521062598 857573022 /nfs/dbraw/zinc/57/30/22/857573022.db2.gz SONXWGOWIGBOOK-MOPGFXCFSA-N 2 2 377.891 3.501 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCC[NH2+]C2CCCCC2)c(C)c1 ZINC000442235250 857662605 /nfs/dbraw/zinc/66/26/05/857662605.db2.gz HTVCHNDUPJVQRX-QFIPXVFZSA-N 2 2 397.567 3.853 20 0 GHADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)cc2Br)CC1 ZINC000181660107 862960300 /nfs/dbraw/zinc/96/03/00/862960300.db2.gz NIVAXDIBALHJMV-AWEZNQCLSA-N 2 2 385.346 3.609 20 0 GHADLP C[NH+](C)C1(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CCCCCC1 ZINC000543035536 858003244 /nfs/dbraw/zinc/00/32/44/858003244.db2.gz CVHOZXQWMDPDMZ-UHFFFAOYSA-N 2 2 389.588 3.740 20 0 GHADLP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OCc1c(C)noc1C ZINC000067694037 858059348 /nfs/dbraw/zinc/05/93/48/858059348.db2.gz OCJCGPDGKHVUNY-VQTJNVASSA-N 2 2 385.508 3.595 20 0 GHADLP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)ccc1OCc1c(C)noc1C ZINC000067694037 858059359 /nfs/dbraw/zinc/05/93/59/858059359.db2.gz OCJCGPDGKHVUNY-VQTJNVASSA-N 2 2 385.508 3.595 20 0 GHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543062287 858144260 /nfs/dbraw/zinc/14/42/60/858144260.db2.gz RQCKUCWFLATBET-GOSISDBHSA-N 2 2 391.519 3.951 20 0 GHADLP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000521590465 858153557 /nfs/dbraw/zinc/15/35/57/858153557.db2.gz ATZOMKLIXARUPM-KNXBSLHKSA-N 2 2 389.503 3.631 20 0 GHADLP COc1cc(OC)c([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000765973748 858173683 /nfs/dbraw/zinc/17/36/83/858173683.db2.gz FDXMRDGLCUSTKI-HOCLYGCPSA-N 2 2 382.932 3.651 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1OCC(F)F ZINC000442871393 858188526 /nfs/dbraw/zinc/18/85/26/858188526.db2.gz WQFDUYBCNHGRRA-APWZRJJASA-N 2 2 375.463 3.726 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1OCC(F)F ZINC000442871393 858188529 /nfs/dbraw/zinc/18/85/29/858188529.db2.gz WQFDUYBCNHGRRA-APWZRJJASA-N 2 2 375.463 3.726 20 0 GHADLP CC[NH2+]Cc1cccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000521837014 858375011 /nfs/dbraw/zinc/37/50/11/858375011.db2.gz UWNBCLKBBOJHGJ-UHFFFAOYSA-N 2 2 381.524 3.740 20 0 GHADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000521998449 858522254 /nfs/dbraw/zinc/52/22/54/858522254.db2.gz KUNQSLZMGLJTCK-NRFANRHFSA-N 2 2 387.568 3.844 20 0 GHADLP O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000575127088 858573710 /nfs/dbraw/zinc/57/37/10/858573710.db2.gz YLFYFEKVXFRKGG-KRWDZBQOSA-N 2 2 384.549 3.662 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N2CCc3ccccc32)c(C)c1 ZINC000676722095 858783554 /nfs/dbraw/zinc/78/35/54/858783554.db2.gz YFTLRKPBGPOKBI-KNQAVFIVSA-N 2 2 388.515 3.809 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cnn1-c1cccc(Cl)c1 ZINC000482737914 858808563 /nfs/dbraw/zinc/80/85/63/858808563.db2.gz CLPQURZIMOHNSX-OXQOHEQNSA-N 2 2 390.959 3.578 20 0 GHADLP Cc1cc(N2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)nc(C2CC2)[nH+]1 ZINC000856535489 881346408 /nfs/dbraw/zinc/34/64/08/881346408.db2.gz ACRWEFCUNIURLB-FQEVSTJZSA-N 2 2 381.524 3.555 20 0 GHADLP Cc1cc(N2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)nc(C2CC2)[nH+]1 ZINC000856535489 881346428 /nfs/dbraw/zinc/34/64/28/881346428.db2.gz ACRWEFCUNIURLB-FQEVSTJZSA-N 2 2 381.524 3.555 20 0 GHADLP Brc1cc(C[NH2+]CCCn2cc[nH+]c2)sc1Br ZINC000227779955 858905551 /nfs/dbraw/zinc/90/55/51/858905551.db2.gz QIDZRXIEZVDNIU-UHFFFAOYSA-N 2 2 379.121 3.650 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000543603144 858943056 /nfs/dbraw/zinc/94/30/56/858943056.db2.gz YSHFCYKCKLKBSE-RTWAWAEBSA-N 2 2 378.582 3.546 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(O)c3Cl)C2)ccn1 ZINC000856549794 881366697 /nfs/dbraw/zinc/36/66/97/881366697.db2.gz UZKSHWVXRXEPJX-SFHVURJKSA-N 2 2 375.900 3.546 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(O)c3Cl)C2)ccn1 ZINC000856549794 881366717 /nfs/dbraw/zinc/36/67/17/881366717.db2.gz UZKSHWVXRXEPJX-SFHVURJKSA-N 2 2 375.900 3.546 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc(O)c3Cl)C2)ccn1 ZINC000856549794 881366729 /nfs/dbraw/zinc/36/67/29/881366729.db2.gz UZKSHWVXRXEPJX-SFHVURJKSA-N 2 2 375.900 3.546 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc(O)c3Cl)C2)ccn1 ZINC000856549794 881366749 /nfs/dbraw/zinc/36/67/49/881366749.db2.gz UZKSHWVXRXEPJX-SFHVURJKSA-N 2 2 375.900 3.546 20 0 GHADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)nn2)c1C ZINC001170331099 881371171 /nfs/dbraw/zinc/37/11/71/881371171.db2.gz LKTFIFGUGPRGII-MZADTFQBSA-N 2 2 388.519 3.887 20 0 GHADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)nn2)c1C ZINC001170331099 881371188 /nfs/dbraw/zinc/37/11/88/881371188.db2.gz LKTFIFGUGPRGII-MZADTFQBSA-N 2 2 388.519 3.887 20 0 GHADLP C[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000761193438 859048619 /nfs/dbraw/zinc/04/86/19/859048619.db2.gz CYBGAMGPZNWZDM-UHFFFAOYSA-N 2 2 375.557 3.886 20 0 GHADLP C[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000761193438 859048625 /nfs/dbraw/zinc/04/86/25/859048625.db2.gz CYBGAMGPZNWZDM-UHFFFAOYSA-N 2 2 375.557 3.886 20 0 GHADLP CC(C)CSCCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000443620469 859070618 /nfs/dbraw/zinc/07/06/18/859070618.db2.gz DLVHXVQMWXMVGI-OAQYLSRUSA-N 2 2 390.641 3.695 20 0 GHADLP CC(C)CSCCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000443620469 859070627 /nfs/dbraw/zinc/07/06/27/859070627.db2.gz DLVHXVQMWXMVGI-OAQYLSRUSA-N 2 2 390.641 3.695 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761201842 859090348 /nfs/dbraw/zinc/09/03/48/859090348.db2.gz GWPRQZWLHQPVCV-UHFFFAOYSA-N 2 2 390.572 3.923 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761201842 859090353 /nfs/dbraw/zinc/09/03/53/859090353.db2.gz GWPRQZWLHQPVCV-UHFFFAOYSA-N 2 2 390.572 3.923 20 0 GHADLP FC(F)(F)c1ncc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000639304981 859128160 /nfs/dbraw/zinc/12/81/60/859128160.db2.gz HANPSUPCMXBIQZ-AEFFLSMTSA-N 2 2 376.426 3.953 20 0 GHADLP FC(F)(F)c1ncc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000639304981 859128171 /nfs/dbraw/zinc/12/81/71/859128171.db2.gz HANPSUPCMXBIQZ-AEFFLSMTSA-N 2 2 376.426 3.953 20 0 GHADLP CN(C(=O)CCc1ccc(Cl)cc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472737 859284237 /nfs/dbraw/zinc/28/42/37/859284237.db2.gz QPFLPMAMMOYTOI-GOSISDBHSA-N 2 2 398.378 3.553 20 0 GHADLP CN(C(=O)CCc1ccc(Cl)cc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472737 859284246 /nfs/dbraw/zinc/28/42/46/859284246.db2.gz QPFLPMAMMOYTOI-GOSISDBHSA-N 2 2 398.378 3.553 20 0 GHADLP Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)sc2cccc(F)c12 ZINC000601479104 859289794 /nfs/dbraw/zinc/28/97/94/859289794.db2.gz VNKGQSPOEHGRGR-MRXNPFEDSA-N 2 2 389.540 3.589 20 0 GHADLP Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)sc2cccc(F)c12 ZINC000601479104 859289803 /nfs/dbraw/zinc/28/98/03/859289803.db2.gz VNKGQSPOEHGRGR-MRXNPFEDSA-N 2 2 389.540 3.589 20 0 GHADLP CC(C)c1ccc(CN(C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000051759752 859313873 /nfs/dbraw/zinc/31/38/73/859313873.db2.gz KUBMBYHCWYMRKS-UHFFFAOYSA-N 2 2 386.584 3.510 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC[C@H]21 ZINC000483484629 859406440 /nfs/dbraw/zinc/40/64/40/859406440.db2.gz JORWQGYBXWKNGA-STZQEDGTSA-N 2 2 381.495 3.922 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC[C@H]21 ZINC000483484629 859406448 /nfs/dbraw/zinc/40/64/48/859406448.db2.gz JORWQGYBXWKNGA-STZQEDGTSA-N 2 2 381.495 3.922 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC[C@H]21 ZINC000483484629 859406456 /nfs/dbraw/zinc/40/64/56/859406456.db2.gz JORWQGYBXWKNGA-STZQEDGTSA-N 2 2 381.495 3.922 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC[C@H]21 ZINC000483484629 859406462 /nfs/dbraw/zinc/40/64/62/859406462.db2.gz JORWQGYBXWKNGA-STZQEDGTSA-N 2 2 381.495 3.922 20 0 GHADLP CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000764457263 859454217 /nfs/dbraw/zinc/45/42/17/859454217.db2.gz JQTSSZMKDXKVFB-HSZRJFAPSA-N 2 2 385.596 3.853 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000509443595 859458821 /nfs/dbraw/zinc/45/88/21/859458821.db2.gz DCACFAMJFPGTAD-QFIPXVFZSA-N 2 2 375.520 3.862 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000509443595 859458826 /nfs/dbraw/zinc/45/88/26/859458826.db2.gz DCACFAMJFPGTAD-QFIPXVFZSA-N 2 2 375.520 3.862 20 0 GHADLP Fc1cc([C@@H]2CCCC[C@@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc(F)c1F ZINC000895437483 859463502 /nfs/dbraw/zinc/46/35/02/859463502.db2.gz VWILFKVVNZXOGD-UWVAXJGDSA-N 2 2 382.470 3.973 20 0 GHADLP CC[NH+](CC)CCOC1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000466745775 859463877 /nfs/dbraw/zinc/46/38/77/859463877.db2.gz LJAGHDLRNCLSNT-UHFFFAOYSA-N 2 2 380.483 3.754 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000463213281 859554896 /nfs/dbraw/zinc/55/48/96/859554896.db2.gz OQOOTHKDZVHVJE-GFCCVEGCSA-N 2 2 375.270 3.703 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000463213281 859554900 /nfs/dbraw/zinc/55/49/00/859554900.db2.gz OQOOTHKDZVHVJE-GFCCVEGCSA-N 2 2 375.270 3.703 20 0 GHADLP C[C@@H](C[C@@H]1CCOC1)[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000764885441 859660766 /nfs/dbraw/zinc/66/07/66/859660766.db2.gz XKQIYYKHNCYCRR-ROUUACIJSA-N 2 2 399.501 3.622 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H](c3ccc(F)cc3)c3cccnc3)[nH+]c2)C1 ZINC000543427087 859681427 /nfs/dbraw/zinc/68/14/27/859681427.db2.gz RWYZUCDTYGUQBB-JTHBVZDNSA-N 2 2 391.494 3.958 20 0 GHADLP CC1([NH+]2CCC2)CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000895670961 859794663 /nfs/dbraw/zinc/79/46/63/859794663.db2.gz JFJIHXRMPMDYKK-UHFFFAOYSA-N 2 2 387.531 3.995 20 0 GHADLP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1CO)CCC2 ZINC000484151038 859839074 /nfs/dbraw/zinc/83/90/74/859839074.db2.gz XGUOEVAFVLWPKB-CEXWTWQISA-N 2 2 385.577 3.556 20 0 GHADLP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1CO)CCC2 ZINC000484151038 859839078 /nfs/dbraw/zinc/83/90/78/859839078.db2.gz XGUOEVAFVLWPKB-CEXWTWQISA-N 2 2 385.577 3.556 20 0 GHADLP CCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1OCC ZINC000484132415 859840541 /nfs/dbraw/zinc/84/05/41/859840541.db2.gz OKPYGVYPLBNIKU-YADARESESA-N 2 2 398.547 3.772 20 0 GHADLP CCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1OCC ZINC000484132415 859840552 /nfs/dbraw/zinc/84/05/52/859840552.db2.gz OKPYGVYPLBNIKU-YADARESESA-N 2 2 398.547 3.772 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000484130912 859841043 /nfs/dbraw/zinc/84/10/43/859841043.db2.gz QEDAMMNRDGIZGM-JXFKEZNVSA-N 2 2 378.438 3.993 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000484130912 859841053 /nfs/dbraw/zinc/84/10/53/859841053.db2.gz QEDAMMNRDGIZGM-JXFKEZNVSA-N 2 2 378.438 3.993 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCCc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000602203276 859849880 /nfs/dbraw/zinc/84/98/80/859849880.db2.gz ULUDQKFTCUVHJI-INIZCTEOSA-N 2 2 398.378 3.601 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCCc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000602203276 859849895 /nfs/dbraw/zinc/84/98/95/859849895.db2.gz ULUDQKFTCUVHJI-INIZCTEOSA-N 2 2 398.378 3.601 20 0 GHADLP Cc1nc2sc3c(c2c(N[C@@H]2CC[N@@H+](C4CC[NH+](C)CC4)C2)n1)CCCCC3 ZINC000602234417 859865360 /nfs/dbraw/zinc/86/53/60/859865360.db2.gz LJKYALAEYWHZRI-MRXNPFEDSA-N 2 2 399.608 3.849 20 0 GHADLP Cc1nc2sc3c(c2c(N[C@@H]2CC[N@H+](C4CC[NH+](C)CC4)C2)n1)CCCCC3 ZINC000602234417 859865370 /nfs/dbraw/zinc/86/53/70/859865370.db2.gz LJKYALAEYWHZRI-MRXNPFEDSA-N 2 2 399.608 3.849 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000474389094 859979466 /nfs/dbraw/zinc/97/94/66/859979466.db2.gz LBPZQDFTVXYBPV-OAQYLSRUSA-N 2 2 398.457 3.576 20 0 GHADLP [NH3+]CC[C@@H]1CN(c2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)c2ccccc21 ZINC001168543177 860150344 /nfs/dbraw/zinc/15/03/44/860150344.db2.gz ISEBPUHMGQAHDF-GOSISDBHSA-N 2 2 382.471 3.913 20 0 GHADLP CCC1([NH+]2CCOCC2)CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000626088554 860160252 /nfs/dbraw/zinc/16/02/52/860160252.db2.gz DGBNADBEYMNNNJ-UHFFFAOYSA-N 2 2 395.547 3.745 20 0 GHADLP [NH3+]CC[C@H]1CN(c2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)c2ccccc21 ZINC001168548499 860329952 /nfs/dbraw/zinc/32/99/52/860329952.db2.gz HMPAPIAKLSQBSX-ROUUACIJSA-N 3 2 375.520 3.935 20 0 GHADLP C[C@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@H]1CC[NH3+] ZINC000904393839 860390039 /nfs/dbraw/zinc/39/00/39/860390039.db2.gz FVTZTZPIPSSXAD-JXFKEZNVSA-N 2 2 379.508 3.583 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000390546045 860563099 /nfs/dbraw/zinc/56/30/99/860563099.db2.gz IOMDUCQDSNBCFQ-GOSISDBHSA-N 2 2 380.458 3.836 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000390546045 860563102 /nfs/dbraw/zinc/56/31/02/860563102.db2.gz IOMDUCQDSNBCFQ-GOSISDBHSA-N 2 2 380.458 3.836 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000603299673 860614720 /nfs/dbraw/zinc/61/47/20/860614720.db2.gz MSCHNGNUKKTCAD-UHFFFAOYSA-N 2 2 399.510 3.716 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000603299673 860614723 /nfs/dbraw/zinc/61/47/23/860614723.db2.gz MSCHNGNUKKTCAD-UHFFFAOYSA-N 2 2 399.510 3.716 20 0 GHADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000428993719 860631029 /nfs/dbraw/zinc/63/10/29/860631029.db2.gz ARGNJNUYYNSGNE-AZUAARDMSA-N 2 2 396.362 3.685 20 0 GHADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000428993719 860631033 /nfs/dbraw/zinc/63/10/33/860631033.db2.gz ARGNJNUYYNSGNE-AZUAARDMSA-N 2 2 396.362 3.685 20 0 GHADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000428993719 860631038 /nfs/dbraw/zinc/63/10/38/860631038.db2.gz ARGNJNUYYNSGNE-AZUAARDMSA-N 2 2 396.362 3.685 20 0 GHADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000428993719 860631042 /nfs/dbraw/zinc/63/10/42/860631042.db2.gz ARGNJNUYYNSGNE-AZUAARDMSA-N 2 2 396.362 3.685 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(Cl)nc(Cl)c3)C2)ccn1 ZINC000856590328 881562602 /nfs/dbraw/zinc/56/26/02/881562602.db2.gz SOBGEPYBCLJCDU-KRWDZBQOSA-N 2 2 395.334 3.888 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(Cl)nc(Cl)c3)C2)ccn1 ZINC000856590328 881562616 /nfs/dbraw/zinc/56/26/16/881562616.db2.gz SOBGEPYBCLJCDU-KRWDZBQOSA-N 2 2 395.334 3.888 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(Cl)nc(Cl)c3)C2)ccn1 ZINC000856590328 881562632 /nfs/dbraw/zinc/56/26/32/881562632.db2.gz SOBGEPYBCLJCDU-KRWDZBQOSA-N 2 2 395.334 3.888 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(Cl)nc(Cl)c3)C2)ccn1 ZINC000856590328 881562652 /nfs/dbraw/zinc/56/26/52/881562652.db2.gz SOBGEPYBCLJCDU-KRWDZBQOSA-N 2 2 395.334 3.888 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnc(Cl)c(F)c3)C2)ccn1 ZINC000856605685 881580033 /nfs/dbraw/zinc/58/00/33/881580033.db2.gz DMFREBCHPQHNPQ-GOSISDBHSA-N 2 2 392.906 3.763 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnc(Cl)c(F)c3)C2)ccn1 ZINC000856605685 881580059 /nfs/dbraw/zinc/58/00/59/881580059.db2.gz DMFREBCHPQHNPQ-GOSISDBHSA-N 2 2 392.906 3.763 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnc(Cl)c(F)c3)C2)ccn1 ZINC000856605685 881580080 /nfs/dbraw/zinc/58/00/80/881580080.db2.gz DMFREBCHPQHNPQ-GOSISDBHSA-N 2 2 392.906 3.763 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnc(Cl)c(F)c3)C2)ccn1 ZINC000856605685 881580100 /nfs/dbraw/zinc/58/01/00/881580100.db2.gz DMFREBCHPQHNPQ-GOSISDBHSA-N 2 2 392.906 3.763 20 0 GHADLP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192841253 860978427 /nfs/dbraw/zinc/97/84/27/860978427.db2.gz RHCRSAHRZJKMSL-HNNXBMFYSA-N 2 2 389.908 3.650 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)[C@@H](C)C1 ZINC000481330689 861078467 /nfs/dbraw/zinc/07/84/67/861078467.db2.gz FJGVDKODFSILLQ-XUZZJYLKSA-N 3 2 387.612 3.686 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)[C@@H](C)C1 ZINC000481330689 861078488 /nfs/dbraw/zinc/07/84/88/861078488.db2.gz FJGVDKODFSILLQ-XUZZJYLKSA-N 3 2 387.612 3.686 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000555511222 861110543 /nfs/dbraw/zinc/11/05/43/861110543.db2.gz LSLMPXYBUMQAST-INIZCTEOSA-N 2 2 380.458 3.933 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000482466560 863175898 /nfs/dbraw/zinc/17/58/98/863175898.db2.gz FMVWFWSONWTVIC-HSZRJFAPSA-N 2 2 388.515 3.572 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000482466560 863175908 /nfs/dbraw/zinc/17/59/08/863175908.db2.gz FMVWFWSONWTVIC-HSZRJFAPSA-N 2 2 388.515 3.572 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000444022955 863185376 /nfs/dbraw/zinc/18/53/76/863185376.db2.gz OZLGWSLWZDDSLU-RBUKOAKNSA-N 2 2 380.621 3.649 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000444022955 863185384 /nfs/dbraw/zinc/18/53/84/863185384.db2.gz OZLGWSLWZDDSLU-RBUKOAKNSA-N 2 2 380.621 3.649 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1C ZINC000733847031 863200105 /nfs/dbraw/zinc/20/01/05/863200105.db2.gz BDWMEFLJJDZPPD-IEBWSBKVSA-N 2 2 388.556 3.503 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1C ZINC000733847031 863200116 /nfs/dbraw/zinc/20/01/16/863200116.db2.gz BDWMEFLJJDZPPD-IEBWSBKVSA-N 2 2 388.556 3.503 20 0 GHADLP COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000182671839 863324429 /nfs/dbraw/zinc/32/44/29/863324429.db2.gz STJKWHDQEUIGHP-HSZRJFAPSA-N 2 2 377.488 3.938 20 0 GHADLP COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000182671839 863324436 /nfs/dbraw/zinc/32/44/36/863324436.db2.gz STJKWHDQEUIGHP-HSZRJFAPSA-N 2 2 377.488 3.938 20 0 GHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000482628507 863402608 /nfs/dbraw/zinc/40/26/08/863402608.db2.gz KDNLTCDKZZBEMR-NHCUHLMSSA-N 2 2 385.939 3.553 20 0 GHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000482628507 863402615 /nfs/dbraw/zinc/40/26/15/863402615.db2.gz KDNLTCDKZZBEMR-NHCUHLMSSA-N 2 2 385.939 3.553 20 0 GHADLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccnn3C(C)C)CC2)c1C ZINC000281897389 863457684 /nfs/dbraw/zinc/45/76/84/863457684.db2.gz FIRFXWFFWBHRIM-UHFFFAOYSA-N 2 2 385.556 3.581 20 0 GHADLP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccnn3C(C)C)CC2)c1C ZINC000281897389 863457689 /nfs/dbraw/zinc/45/76/89/863457689.db2.gz FIRFXWFFWBHRIM-UHFFFAOYSA-N 2 2 385.556 3.581 20 0 GHADLP COC1CCC([NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000183134519 863481708 /nfs/dbraw/zinc/48/17/08/863481708.db2.gz CCQYVZPNPINJIL-UHFFFAOYSA-N 2 2 399.501 3.765 20 0 GHADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000183279738 863527082 /nfs/dbraw/zinc/52/70/82/863527082.db2.gz FKSHDNPVZLYWMH-VWLOTQADSA-N 2 2 393.575 3.623 20 0 GHADLP C[NH+](C)CCc1ccccc1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281951460 863537866 /nfs/dbraw/zinc/53/78/66/863537866.db2.gz CUMPIJKWZRPQJA-LJQANCHMSA-N 2 2 395.551 3.735 20 0 GHADLP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000606435023 863612075 /nfs/dbraw/zinc/61/20/75/863612075.db2.gz YZWAWFDWPMEKPG-VQTJNVASSA-N 2 2 397.588 3.579 20 0 GHADLP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000606435023 863612081 /nfs/dbraw/zinc/61/20/81/863612081.db2.gz YZWAWFDWPMEKPG-VQTJNVASSA-N 2 2 397.588 3.579 20 0 GHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158466501 863842164 /nfs/dbraw/zinc/84/21/64/863842164.db2.gz GMLMAQMYINIWAN-INIZCTEOSA-N 2 2 388.943 3.736 20 0 GHADLP C[N@@H+]1CCC[C@H](c2cccc(C(=O)N3CC[NH+](Cc4ccsc4)CC3)c2)C1 ZINC000856746043 881711647 /nfs/dbraw/zinc/71/16/47/881711647.db2.gz HEMUEULYYQTQAU-NRFANRHFSA-N 2 2 383.561 3.515 20 0 GHADLP C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CC[NH+](Cc4ccsc4)CC3)c2)C1 ZINC000856746043 881711655 /nfs/dbraw/zinc/71/16/55/881711655.db2.gz HEMUEULYYQTQAU-NRFANRHFSA-N 2 2 383.561 3.515 20 0 GHADLP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000158980028 864002800 /nfs/dbraw/zinc/00/28/00/864002800.db2.gz ONSLIOYVESSXOK-HKUYNNGSSA-N 2 2 392.503 3.819 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H](c3ccccc3)C3CCCCC3)C2)CC1 ZINC000734269165 864106913 /nfs/dbraw/zinc/10/69/13/864106913.db2.gz HYHWXOZDZWWVCK-GGAORHGYSA-N 2 2 398.595 3.776 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H](c3ccccc3)C3CCCCC3)C2)CC1 ZINC000734269165 864106920 /nfs/dbraw/zinc/10/69/20/864106920.db2.gz HYHWXOZDZWWVCK-GGAORHGYSA-N 2 2 398.595 3.776 20 0 GHADLP C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607183518 864146947 /nfs/dbraw/zinc/14/69/47/864146947.db2.gz IKTRDPNZHNBAQA-SIKLNZKXSA-N 2 2 398.595 3.728 20 0 GHADLP C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607183518 864146952 /nfs/dbraw/zinc/14/69/52/864146952.db2.gz IKTRDPNZHNBAQA-SIKLNZKXSA-N 2 2 398.595 3.728 20 0 GHADLP COc1ccc(N2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc1 ZINC001168058284 864459830 /nfs/dbraw/zinc/45/98/30/864459830.db2.gz PYBKPIJARURLGP-VTYHHJSWSA-N 2 2 394.563 3.654 20 0 GHADLP COc1ccc(N2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc1 ZINC001168058284 864459834 /nfs/dbraw/zinc/45/98/34/864459834.db2.gz PYBKPIJARURLGP-VTYHHJSWSA-N 2 2 394.563 3.654 20 0 GHADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000163569796 864536355 /nfs/dbraw/zinc/53/63/55/864536355.db2.gz YINQZLLLMUIVSN-RDPSFJRHSA-N 3 2 380.580 3.924 20 0 GHADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000163569796 864536364 /nfs/dbraw/zinc/53/63/64/864536364.db2.gz YINQZLLLMUIVSN-RDPSFJRHSA-N 3 2 380.580 3.924 20 0 GHADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000163577974 864538322 /nfs/dbraw/zinc/53/83/22/864538322.db2.gz SPEHEGYINUTNKH-GBXCKJPGSA-N 3 2 380.580 3.924 20 0 GHADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000163577974 864538331 /nfs/dbraw/zinc/53/83/31/864538331.db2.gz SPEHEGYINUTNKH-GBXCKJPGSA-N 3 2 380.580 3.924 20 0 GHADLP C[C@H]1CC(N2CCC(C)([NH+]3CCOCC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059400 864544415 /nfs/dbraw/zinc/54/44/15/864544415.db2.gz FFQXVWQZVPUDLQ-SFTDATJTSA-N 2 2 385.596 3.615 20 0 GHADLP O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@H]1CCC[NH+]1C1CC1 ZINC000494490599 881787318 /nfs/dbraw/zinc/78/73/18/881787318.db2.gz YNYPRCOKWIEEFH-RTWAWAEBSA-N 2 2 395.572 3.591 20 0 GHADLP O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@H]1CCC[NH+]1C1CC1 ZINC000494490599 881787336 /nfs/dbraw/zinc/78/73/36/881787336.db2.gz YNYPRCOKWIEEFH-RTWAWAEBSA-N 2 2 395.572 3.591 20 0 GHADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000494490599 881787342 /nfs/dbraw/zinc/78/73/42/881787342.db2.gz YNYPRCOKWIEEFH-RTWAWAEBSA-N 2 2 395.572 3.591 20 0 GHADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000494490599 881787354 /nfs/dbraw/zinc/78/73/54/881787354.db2.gz YNYPRCOKWIEEFH-RTWAWAEBSA-N 2 2 395.572 3.591 20 0 GHADLP Cc1ccc([C@@H](CN2CCOCC2)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000480456128 864663168 /nfs/dbraw/zinc/66/31/68/864663168.db2.gz XZNKIAPMWPLJQM-XMMPIXPASA-N 2 2 385.596 3.755 20 0 GHADLP c1nc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n(-c2ccccc2)n1 ZINC000475268928 864688066 /nfs/dbraw/zinc/68/80/66/864688066.db2.gz LNNAWUKBJMVGLF-ACIOBRDBSA-N 2 2 387.531 3.658 20 0 GHADLP c1nc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n(-c2ccccc2)n1 ZINC000475268928 864688072 /nfs/dbraw/zinc/68/80/72/864688072.db2.gz LNNAWUKBJMVGLF-ACIOBRDBSA-N 2 2 387.531 3.658 20 0 GHADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000480544486 864848531 /nfs/dbraw/zinc/84/85/31/864848531.db2.gz ZVDUMZGAKUXYKE-FQEVSTJZSA-N 2 2 390.531 3.661 20 0 GHADLP [NH3+]Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000667732137 865143623 /nfs/dbraw/zinc/14/36/23/865143623.db2.gz CFOJGHWCZABBCD-UHFFFAOYSA-N 2 2 392.425 3.514 20 0 GHADLP C[NH+](C)C1CC[NH+](CCNc2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000301490607 865388757 /nfs/dbraw/zinc/38/87/57/865388757.db2.gz AXHBYNMRQDPLNW-UHFFFAOYSA-N 2 2 381.549 3.796 20 0 GHADLP CCCC[NH+]1CCC(NC(=O)c2c3ccccc3nc3c2C[N@H+](CC)CC3)CC1 ZINC000171931434 865415268 /nfs/dbraw/zinc/41/52/68/865415268.db2.gz HVERNJJUKDLXTA-UHFFFAOYSA-N 2 2 394.563 3.607 20 0 GHADLP CCCC[NH+]1CCC(NC(=O)c2c3ccccc3nc3c2C[N@@H+](CC)CC3)CC1 ZINC000171931434 865415278 /nfs/dbraw/zinc/41/52/78/865415278.db2.gz HVERNJJUKDLXTA-UHFFFAOYSA-N 2 2 394.563 3.607 20 0 GHADLP CCC[C@H]1CCCC[C@@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000608669674 865573238 /nfs/dbraw/zinc/57/32/38/865573238.db2.gz YPVOOKSJEXORHX-PMACEKPBSA-N 2 2 378.605 3.595 20 0 GHADLP CC[NH+]1CCN(c2ccc(CNc3cc(C(C)C)[nH+]c(C(C)C)n3)cn2)CC1 ZINC000301891646 865590072 /nfs/dbraw/zinc/59/00/72/865590072.db2.gz VAZXMCPSFOZVFA-UHFFFAOYSA-N 2 2 382.556 3.872 20 0 GHADLP Cc1cccc([C@H]2CCCCN2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000608686796 865592175 /nfs/dbraw/zinc/59/21/75/865592175.db2.gz XJRAVJMAFMEHOW-NZQKXSOJSA-N 2 2 398.595 3.709 20 0 GHADLP Cc1cccc([C@H]2CCCCN2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000608686796 865592183 /nfs/dbraw/zinc/59/21/83/865592183.db2.gz XJRAVJMAFMEHOW-NZQKXSOJSA-N 2 2 398.595 3.709 20 0 GHADLP [NH3+]C1(Cc2ccccc2C(F)(F)F)CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168365229 865660361 /nfs/dbraw/zinc/66/03/61/865660361.db2.gz NTFBBBQLEWWHFB-UHFFFAOYSA-N 3 2 395.513 3.916 20 0 GHADLP Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC(C[NH+](C)C)CC3)n2)cc1C ZINC000481045749 865717747 /nfs/dbraw/zinc/71/77/47/865717747.db2.gz YXMQQRPNTSEMGG-UHFFFAOYSA-N 2 2 386.565 3.639 20 0 GHADLP CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000740017785 865846024 /nfs/dbraw/zinc/84/60/24/865846024.db2.gz AYYOBCVHAJDETF-UHFFFAOYSA-N 2 2 388.487 3.937 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)NC(=O)CO3)CC[N@@H+]1Cc1ccccc1 ZINC000508483508 865899854 /nfs/dbraw/zinc/89/98/54/865899854.db2.gz KRFMBKJBSDKYNR-XLIONFOSSA-N 2 2 379.504 3.502 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)NC(=O)CO3)CC[N@H+]1Cc1ccccc1 ZINC000508483508 865899864 /nfs/dbraw/zinc/89/98/64/865899864.db2.gz KRFMBKJBSDKYNR-XLIONFOSSA-N 2 2 379.504 3.502 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)NC(=O)CO3)CC[NH+]1Cc1ccccc1 ZINC000508483508 865899872 /nfs/dbraw/zinc/89/98/72/865899872.db2.gz KRFMBKJBSDKYNR-XLIONFOSSA-N 2 2 379.504 3.502 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)NC(=O)CO3)CC[NH+]1Cc1ccccc1 ZINC000508483508 865899882 /nfs/dbraw/zinc/89/98/82/865899882.db2.gz KRFMBKJBSDKYNR-XLIONFOSSA-N 2 2 379.504 3.502 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1c2ccccc2CC[C@H]1C ZINC000481175107 865925398 /nfs/dbraw/zinc/92/53/98/865925398.db2.gz LUVWNKCUOGXMCX-TXTKFYIRSA-N 2 2 391.559 3.855 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1c2ccccc2CC[C@H]1C ZINC000481175107 865925409 /nfs/dbraw/zinc/92/54/09/865925409.db2.gz LUVWNKCUOGXMCX-TXTKFYIRSA-N 2 2 391.559 3.855 20 0 GHADLP COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481183777 865948406 /nfs/dbraw/zinc/94/84/06/865948406.db2.gz SKUJTUJIYOOCSW-HBFSDRIKSA-N 2 2 381.520 3.522 20 0 GHADLP COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481183777 865948409 /nfs/dbraw/zinc/94/84/09/865948409.db2.gz SKUJTUJIYOOCSW-HBFSDRIKSA-N 2 2 381.520 3.522 20 0 GHADLP CC[N@H+](Cn1cccnc1=S)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000740855590 866041155 /nfs/dbraw/zinc/04/11/55/866041155.db2.gz GUBMZQXYKWRMAU-UHFFFAOYSA-N 2 2 386.569 3.783 20 0 GHADLP CC[N@@H+](Cn1cccnc1=S)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000740855590 866041168 /nfs/dbraw/zinc/04/11/68/866041168.db2.gz GUBMZQXYKWRMAU-UHFFFAOYSA-N 2 2 386.569 3.783 20 0 GHADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)ccc21 ZINC000456289804 866350149 /nfs/dbraw/zinc/35/01/49/866350149.db2.gz XZEGIVAWGUFHAG-FCHUYYIVSA-N 2 2 395.572 3.964 20 0 GHADLP CC1(C)CCc2cc(C[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)ccc2O1 ZINC000741258145 866360107 /nfs/dbraw/zinc/36/01/07/866360107.db2.gz KUKLTKNTRLPLHD-XMMPIXPASA-N 2 2 380.532 3.517 20 0 GHADLP CC1(C)CCc2cc(C[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)ccc2O1 ZINC000741258145 866360125 /nfs/dbraw/zinc/36/01/25/866360125.db2.gz KUKLTKNTRLPLHD-XMMPIXPASA-N 2 2 380.532 3.517 20 0 GHADLP COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000282012163 866532714 /nfs/dbraw/zinc/53/27/14/866532714.db2.gz JTSLKFXZODTHCG-KRWDZBQOSA-N 2 2 393.491 3.658 20 0 GHADLP COc1ccc(-c2noc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000282012163 866532737 /nfs/dbraw/zinc/53/27/37/866532737.db2.gz JTSLKFXZODTHCG-KRWDZBQOSA-N 2 2 393.491 3.658 20 0 GHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000153546455 866940369 /nfs/dbraw/zinc/94/03/69/866940369.db2.gz GLRUUZWONJSQRF-BJLQDIEVSA-N 2 2 383.540 3.605 20 0 GHADLP COC[C@H](Cc1ccccc1)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000153939858 867163004 /nfs/dbraw/zinc/16/30/04/867163004.db2.gz IIEMNVOHAUUXBJ-OFNKIYASSA-N 2 2 382.548 3.734 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(-c2ccccc2Br)s1 ZINC000154342135 867362964 /nfs/dbraw/zinc/36/29/64/867362964.db2.gz PMCGLQJSHOLHQW-STQMWFEESA-N 2 2 383.355 3.751 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000523514324 867433440 /nfs/dbraw/zinc/43/34/40/867433440.db2.gz XOMHUGSFGAHPPY-QGZVFWFLSA-N 2 2 395.894 3.771 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000523514324 867433445 /nfs/dbraw/zinc/43/34/45/867433445.db2.gz XOMHUGSFGAHPPY-QGZVFWFLSA-N 2 2 395.894 3.771 20 0 GHADLP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(F)cc1F ZINC000155171382 867783105 /nfs/dbraw/zinc/78/31/05/867783105.db2.gz VNNUKSBGCXXWTQ-JOCHJYFZSA-N 2 2 390.474 3.917 20 0 GHADLP O=C(CCn1cc[nH+]c1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457197223 867875243 /nfs/dbraw/zinc/87/52/43/867875243.db2.gz UTMSKJNPRFBSQH-HSZRJFAPSA-N 2 2 394.563 3.957 20 0 GHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000523785153 867960831 /nfs/dbraw/zinc/96/08/31/867960831.db2.gz XVLLABJSQPTZGJ-LJQANCHMSA-N 2 2 395.532 3.570 20 0 GHADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000508623408 882152866 /nfs/dbraw/zinc/15/28/66/882152866.db2.gz AMBYNEUYZINPQI-UEXGIBASSA-N 2 2 375.557 3.601 20 0 GHADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000508623408 882152878 /nfs/dbraw/zinc/15/28/78/882152878.db2.gz AMBYNEUYZINPQI-UEXGIBASSA-N 2 2 375.557 3.601 20 0 GHADLP CC(C)CC[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000157365761 868635676 /nfs/dbraw/zinc/63/56/76/868635676.db2.gz CYSTZNRACDHWTH-JBACZVJFSA-N 2 2 380.621 3.790 20 0 GHADLP CC(C)CC[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000157365761 868635679 /nfs/dbraw/zinc/63/56/79/868635679.db2.gz CYSTZNRACDHWTH-JBACZVJFSA-N 2 2 380.621 3.790 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)C1 ZINC000524368539 868993574 /nfs/dbraw/zinc/99/35/74/868993574.db2.gz RCKQILPSINXRDC-WIYYLYMNSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)C1 ZINC000524368539 868993578 /nfs/dbraw/zinc/99/35/78/868993578.db2.gz RCKQILPSINXRDC-WIYYLYMNSA-N 2 2 395.551 3.731 20 0 GHADLP COc1cc(C)c([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1OC ZINC000539660587 869546895 /nfs/dbraw/zinc/54/68/95/869546895.db2.gz ZQLJBGIXRQZLMQ-FUHWJXTLSA-N 2 2 384.524 3.721 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000462519471 869599802 /nfs/dbraw/zinc/59/98/02/869599802.db2.gz BUTLUCWBCGDFJI-CRAIPNDOSA-N 2 2 392.594 3.501 20 0 GHADLP CC[NH+](CC)Cc1csc(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)n1 ZINC000746155763 870083580 /nfs/dbraw/zinc/08/35/80/870083580.db2.gz QJPNBLYWAAROPG-UHFFFAOYSA-N 2 2 381.505 3.798 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)CC2)c1 ZINC000462793603 870094898 /nfs/dbraw/zinc/09/48/98/870094898.db2.gz STJVTRMFVZPFBO-DNVJHFABSA-N 2 2 385.596 3.692 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cnn(C(C)(C)C)c3C)cc2)CC1 ZINC000191181855 882378683 /nfs/dbraw/zinc/37/86/83/882378683.db2.gz JSZXIVBWMIVPBZ-LJQANCHMSA-N 2 2 397.611 3.935 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000248131990 870295519 /nfs/dbraw/zinc/29/55/19/870295519.db2.gz OOISHPFVKGZSMT-AGILITTLSA-N 2 2 378.564 3.546 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000248131990 870295531 /nfs/dbraw/zinc/29/55/31/870295531.db2.gz OOISHPFVKGZSMT-AGILITTLSA-N 2 2 378.564 3.546 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000248131990 870295550 /nfs/dbraw/zinc/29/55/50/870295550.db2.gz OOISHPFVKGZSMT-AGILITTLSA-N 2 2 378.564 3.546 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000248131990 870295565 /nfs/dbraw/zinc/29/55/65/870295565.db2.gz OOISHPFVKGZSMT-AGILITTLSA-N 2 2 378.564 3.546 20 0 GHADLP CCSCc1cccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000122086650 882395135 /nfs/dbraw/zinc/39/51/35/882395135.db2.gz NVSIQRLGOPEJKM-UHFFFAOYSA-N 2 2 390.597 3.620 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CCCS2 ZINC000446835530 870519257 /nfs/dbraw/zinc/51/92/57/870519257.db2.gz OYEXGFHIWLMXHQ-JTHBVZDNSA-N 2 2 398.572 3.849 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CCCS2 ZINC000446835530 870519269 /nfs/dbraw/zinc/51/92/69/870519269.db2.gz OYEXGFHIWLMXHQ-JTHBVZDNSA-N 2 2 398.572 3.849 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540143848 870594337 /nfs/dbraw/zinc/59/43/37/870594337.db2.gz LADSBGALTFKESK-OTPBECDQSA-N 2 2 396.441 3.773 20 0 GHADLP C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540143849 870595754 /nfs/dbraw/zinc/59/57/54/870595754.db2.gz LADSBGALTFKESK-PRPYNDMISA-N 2 2 396.441 3.773 20 0 GHADLP Cc1nnc([C@@H]2CCC[N@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)[nH]1 ZINC001192730447 870621724 /nfs/dbraw/zinc/62/17/24/870621724.db2.gz ILEKCZCCFHVINZ-JOCHJYFZSA-N 2 2 381.568 3.637 20 0 GHADLP Cc1nnc([C@@H]2CCC[N@@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)[nH]1 ZINC001192730447 870621730 /nfs/dbraw/zinc/62/17/30/870621730.db2.gz ILEKCZCCFHVINZ-JOCHJYFZSA-N 2 2 381.568 3.637 20 0 GHADLP CC(C)C[C@H]1CCCCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000525409905 870645828 /nfs/dbraw/zinc/64/58/28/870645828.db2.gz XCEJARLMFHCWPN-JOCHJYFZSA-N 2 2 387.568 3.748 20 0 GHADLP CC(C)C[C@H]1CCCCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000525409905 870645838 /nfs/dbraw/zinc/64/58/38/870645838.db2.gz XCEJARLMFHCWPN-JOCHJYFZSA-N 2 2 387.568 3.748 20 0 GHADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cc1S(C)(=O)=O ZINC000446892213 870656110 /nfs/dbraw/zinc/65/61/10/870656110.db2.gz IYGRRQIRMYVHMI-OXQOHEQNSA-N 2 2 378.582 3.531 20 0 GHADLP Cn1cc(-c2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)on2)cn1 ZINC000248985777 870712688 /nfs/dbraw/zinc/71/26/88/870712688.db2.gz JXCQHMWBKZCKLV-CVDCTZTESA-N 2 2 391.519 3.562 20 0 GHADLP Cn1cc(-c2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)on2)cn1 ZINC000248985777 870712696 /nfs/dbraw/zinc/71/26/96/870712696.db2.gz JXCQHMWBKZCKLV-CVDCTZTESA-N 2 2 391.519 3.562 20 0 GHADLP Cn1cc(-c2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)on2)cn1 ZINC000248985777 870712705 /nfs/dbraw/zinc/71/27/05/870712705.db2.gz JXCQHMWBKZCKLV-CVDCTZTESA-N 2 2 391.519 3.562 20 0 GHADLP Cn1cc(-c2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)on2)cn1 ZINC000248985777 870712713 /nfs/dbraw/zinc/71/27/13/870712713.db2.gz JXCQHMWBKZCKLV-CVDCTZTESA-N 2 2 391.519 3.562 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1C ZINC000508867590 870768930 /nfs/dbraw/zinc/76/89/30/870768930.db2.gz UENBOBNUBRPAAZ-XLIONFOSSA-N 2 2 384.524 3.540 20 0 GHADLP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000463065533 870815900 /nfs/dbraw/zinc/81/59/00/870815900.db2.gz SFFQCVUOFXQHBW-YYWHXJBOSA-N 2 2 383.540 3.531 20 0 GHADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000463065533 870815911 /nfs/dbraw/zinc/81/59/11/870815911.db2.gz SFFQCVUOFXQHBW-YYWHXJBOSA-N 2 2 383.540 3.531 20 0 GHADLP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)c1 ZINC000463138014 870990698 /nfs/dbraw/zinc/99/06/98/870990698.db2.gz NWGOVPPYPACDSG-KWOQKUFVSA-N 2 2 381.564 3.941 20 0 GHADLP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)c1 ZINC000463138014 870990710 /nfs/dbraw/zinc/99/07/10/870990710.db2.gz NWGOVPPYPACDSG-KWOQKUFVSA-N 2 2 381.564 3.941 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000463200602 871169125 /nfs/dbraw/zinc/16/91/25/871169125.db2.gz BZHPWZHVLDUNAS-UARRHKHWSA-N 2 2 386.580 3.683 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000463200602 871169126 /nfs/dbraw/zinc/16/91/26/871169126.db2.gz BZHPWZHVLDUNAS-UARRHKHWSA-N 2 2 386.580 3.683 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000463200602 871169129 /nfs/dbraw/zinc/16/91/29/871169129.db2.gz BZHPWZHVLDUNAS-UARRHKHWSA-N 2 2 386.580 3.683 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000463200602 871169135 /nfs/dbraw/zinc/16/91/35/871169135.db2.gz BZHPWZHVLDUNAS-UARRHKHWSA-N 2 2 386.580 3.683 20 0 GHADLP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000539043102 871215969 /nfs/dbraw/zinc/21/59/69/871215969.db2.gz QCYSFKGPHXFXDP-IFMALSPDSA-N 3 2 378.564 3.941 20 0 GHADLP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000539043102 871215985 /nfs/dbraw/zinc/21/59/85/871215985.db2.gz QCYSFKGPHXFXDP-IFMALSPDSA-N 3 2 378.564 3.941 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC1)C2 ZINC001169135052 871225612 /nfs/dbraw/zinc/22/56/12/871225612.db2.gz XSDXYOFPDHTPOH-KOUNCHBCSA-N 2 2 385.596 3.673 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC1)C2 ZINC001169135052 871225629 /nfs/dbraw/zinc/22/56/29/871225629.db2.gz XSDXYOFPDHTPOH-KOUNCHBCSA-N 2 2 385.596 3.673 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539084159 871231195 /nfs/dbraw/zinc/23/11/95/871231195.db2.gz LYCMBZFALIOAIV-MGPUTAFESA-N 2 2 380.879 3.982 20 0 GHADLP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2=O)cc1 ZINC000463249622 871266424 /nfs/dbraw/zinc/26/64/24/871266424.db2.gz WOXITVFSBBDYEX-HUVFLSCGSA-N 2 2 391.559 3.739 20 0 GHADLP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2=O)cc1 ZINC000463249622 871266435 /nfs/dbraw/zinc/26/64/35/871266435.db2.gz WOXITVFSBBDYEX-HUVFLSCGSA-N 2 2 391.559 3.739 20 0 GHADLP CC[NH+]1CCC([NH2+][C@H](CC(=O)OC)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001169231315 871319343 /nfs/dbraw/zinc/31/93/43/871319343.db2.gz XHHXMRWRSAOMQT-HSZRJFAPSA-N 2 2 396.531 3.944 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C3CCCCC3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000463283770 871329429 /nfs/dbraw/zinc/32/94/29/871329429.db2.gz PYAZGHFUEKGEKR-LSWJPFSZSA-N 2 2 383.580 3.953 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C3CCCCC3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000463283770 871329450 /nfs/dbraw/zinc/32/94/50/871329450.db2.gz PYAZGHFUEKGEKR-LSWJPFSZSA-N 2 2 383.580 3.953 20 0 GHADLP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463272948 871343323 /nfs/dbraw/zinc/34/33/23/871343323.db2.gz WBLMSWBKLHNJRN-NLFFAJNJSA-N 2 2 395.566 3.943 20 0 GHADLP O=C1[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCN1C1CCCCC1 ZINC000463287234 871379797 /nfs/dbraw/zinc/37/97/97/871379797.db2.gz XHTAJFMSRHGNNJ-QHCPKHFHSA-N 2 2 383.580 3.607 20 0 GHADLP C[C@@H]1OCC[C@@]12C[N@H+](C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1)CCO2 ZINC001194066027 871470286 /nfs/dbraw/zinc/47/02/86/871470286.db2.gz DATOWWPNPVCNNF-FTBPSBKWSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1OCC[C@@]12C[N@@H+](C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1)CCO2 ZINC001194066027 871470288 /nfs/dbraw/zinc/47/02/88/871470288.db2.gz DATOWWPNPVCNNF-FTBPSBKWSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1OCC[C@@]12C[NH+](C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)CCO2 ZINC001194066027 871470291 /nfs/dbraw/zinc/47/02/91/871470291.db2.gz DATOWWPNPVCNNF-FTBPSBKWSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1OCC[C@@]12C[NH+](C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)CCO2 ZINC001194066027 871470294 /nfs/dbraw/zinc/47/02/94/871470294.db2.gz DATOWWPNPVCNNF-FTBPSBKWSA-N 2 2 394.559 3.782 20 0 GHADLP CO[C@@]1(C)CCC[N@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001194073937 871472772 /nfs/dbraw/zinc/47/27/72/871472772.db2.gz MLTHODWCAVBOPZ-NRFANRHFSA-N 2 2 379.976 3.743 20 0 GHADLP CO[C@@]1(C)CCC[N@@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001194073937 871472775 /nfs/dbraw/zinc/47/27/75/871472775.db2.gz MLTHODWCAVBOPZ-NRFANRHFSA-N 2 2 379.976 3.743 20 0 GHADLP Cc1cc(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c2[nH+]ccn2c1 ZINC001169515316 871584391 /nfs/dbraw/zinc/58/43/91/871584391.db2.gz AOSWHMKNFKBGMA-AZUAARDMSA-N 2 2 378.476 3.514 20 0 GHADLP Cc1csc(N2CCC([NH2+]CC3([NH+]4CCSCC4)CCCCC3)CC2)n1 ZINC000163031240 871763208 /nfs/dbraw/zinc/76/32/08/871763208.db2.gz MUXMWJYSDWKXID-UHFFFAOYSA-N 2 2 394.654 3.762 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000462204351 871804801 /nfs/dbraw/zinc/80/48/01/871804801.db2.gz UYCWHGUPTRPACF-DUXKGJEZSA-N 2 2 398.576 3.582 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000462204351 871804817 /nfs/dbraw/zinc/80/48/17/871804817.db2.gz UYCWHGUPTRPACF-DUXKGJEZSA-N 2 2 398.576 3.582 20 0 GHADLP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1S(C)(=O)=O ZINC000447556849 871849944 /nfs/dbraw/zinc/84/99/44/871849944.db2.gz JRZCPNRPTGYFQO-DKUWSORSSA-N 2 2 398.572 3.684 20 0 GHADLP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1S(C)(=O)=O ZINC000447556849 871849959 /nfs/dbraw/zinc/84/99/59/871849959.db2.gz JRZCPNRPTGYFQO-DKUWSORSSA-N 2 2 398.572 3.684 20 0 GHADLP Cn1c[nH+]cc1CCC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000526020524 871960009 /nfs/dbraw/zinc/96/00/09/871960009.db2.gz AURQSQGAIGJWRL-UHFFFAOYSA-N 2 2 390.531 3.514 20 0 GHADLP Cn1c[nH+]cc1CCC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000526020524 871960019 /nfs/dbraw/zinc/96/00/19/871960019.db2.gz AURQSQGAIGJWRL-UHFFFAOYSA-N 2 2 390.531 3.514 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000429719082 872005814 /nfs/dbraw/zinc/00/58/14/872005814.db2.gz OAHLKYYANJIMNW-UHFFFAOYSA-N 2 2 378.476 3.916 20 0 GHADLP CCCCC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000115675705 882587655 /nfs/dbraw/zinc/58/76/55/882587655.db2.gz MXEAASNQFMJLDA-HXUWFJFHSA-N 2 2 380.621 3.839 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)[C@H](C)C1 ZINC000093639409 872309974 /nfs/dbraw/zinc/30/99/74/872309974.db2.gz FKKPKQMGJJPTLZ-JLTOFOAXSA-N 2 2 376.495 3.929 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)[C@H](C)C1 ZINC000093639409 872309997 /nfs/dbraw/zinc/30/99/97/872309997.db2.gz FKKPKQMGJJPTLZ-JLTOFOAXSA-N 2 2 376.495 3.929 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)[C@H](C)C1 ZINC000093639409 872310015 /nfs/dbraw/zinc/31/00/15/872310015.db2.gz FKKPKQMGJJPTLZ-JLTOFOAXSA-N 2 2 376.495 3.929 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)[C@H](C)C1 ZINC000093639409 872310031 /nfs/dbraw/zinc/31/00/31/872310031.db2.gz FKKPKQMGJJPTLZ-JLTOFOAXSA-N 2 2 376.495 3.929 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1 ZINC000478045169 872412729 /nfs/dbraw/zinc/41/27/29/872412729.db2.gz FJXSPCAMFSIHHK-MRXNPFEDSA-N 2 2 378.948 3.650 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1 ZINC000478045169 872412736 /nfs/dbraw/zinc/41/27/36/872412736.db2.gz FJXSPCAMFSIHHK-MRXNPFEDSA-N 2 2 378.948 3.650 20 0 GHADLP CC[N@@H+](Cc1cnc2nc(C)cc(C)n12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818783 872440436 /nfs/dbraw/zinc/44/04/36/872440436.db2.gz AKXDLCMMYXZTMD-OAQYLSRUSA-N 2 2 377.536 3.690 20 0 GHADLP CC[N@H+](Cc1cnc2nc(C)cc(C)n12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818783 872440443 /nfs/dbraw/zinc/44/04/43/872440443.db2.gz AKXDLCMMYXZTMD-OAQYLSRUSA-N 2 2 377.536 3.690 20 0 GHADLP CC[NH+](Cc1cnc2nc(C)cc(C)n12)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818783 872440448 /nfs/dbraw/zinc/44/04/48/872440448.db2.gz AKXDLCMMYXZTMD-OAQYLSRUSA-N 2 2 377.536 3.690 20 0 GHADLP CC[NH+](Cc1cnc2nc(C)cc(C)n12)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818783 872440453 /nfs/dbraw/zinc/44/04/53/872440453.db2.gz AKXDLCMMYXZTMD-OAQYLSRUSA-N 2 2 377.536 3.690 20 0 GHADLP CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000540910366 872467431 /nfs/dbraw/zinc/46/74/31/872467431.db2.gz WAMSGXHBVSNRQC-GHTZIAJQSA-N 2 2 389.503 3.565 20 0 GHADLP CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000540910366 872467442 /nfs/dbraw/zinc/46/74/42/872467442.db2.gz WAMSGXHBVSNRQC-GHTZIAJQSA-N 2 2 389.503 3.565 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448023013 872678719 /nfs/dbraw/zinc/67/87/19/872678719.db2.gz REBLIZPPKOTPQX-KDOFPFPSSA-N 2 2 381.948 3.776 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448023013 872678729 /nfs/dbraw/zinc/67/87/29/872678729.db2.gz REBLIZPPKOTPQX-KDOFPFPSSA-N 2 2 381.948 3.776 20 0 GHADLP CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000552494058 872726400 /nfs/dbraw/zinc/72/64/00/872726400.db2.gz UUYZXTCYTUTEAL-IBGZPJMESA-N 2 2 397.494 3.838 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000552579922 872847974 /nfs/dbraw/zinc/84/79/74/872847974.db2.gz LQUFOXVOAPCNFA-STZQEDGTSA-N 2 2 395.522 3.821 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000552579922 872847984 /nfs/dbraw/zinc/84/79/84/872847984.db2.gz LQUFOXVOAPCNFA-STZQEDGTSA-N 2 2 395.522 3.821 20 0 GHADLP CC[C@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[N@@H+]1CCc2ccccc2C1 ZINC000527230247 872885425 /nfs/dbraw/zinc/88/54/25/872885425.db2.gz JDPXANWBNATCKC-AZUAARDMSA-N 2 2 394.563 3.591 20 0 GHADLP CC[C@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[N@H+]1CCc2ccccc2C1 ZINC000527230247 872885437 /nfs/dbraw/zinc/88/54/37/872885437.db2.gz JDPXANWBNATCKC-AZUAARDMSA-N 2 2 394.563 3.591 20 0 GHADLP CC[C@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[N@@H+]1CCc2ccccc2C1 ZINC000527230247 872885453 /nfs/dbraw/zinc/88/54/53/872885453.db2.gz JDPXANWBNATCKC-AZUAARDMSA-N 2 2 394.563 3.591 20 0 GHADLP CC[C@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[N@H+]1CCc2ccccc2C1 ZINC000527230247 872885470 /nfs/dbraw/zinc/88/54/70/872885470.db2.gz JDPXANWBNATCKC-AZUAARDMSA-N 2 2 394.563 3.591 20 0 GHADLP O[C@@H](COc1ccc2ccccc2c1)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541203204 873128146 /nfs/dbraw/zinc/12/81/46/873128146.db2.gz WJVITKUKLUOHFG-HSZRJFAPSA-N 2 2 393.531 3.968 20 0 GHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768220998 873173882 /nfs/dbraw/zinc/17/38/82/873173882.db2.gz RGZOQPWLVFZYNL-KRWDZBQOSA-N 2 2 376.545 3.899 20 0 GHADLP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527754791 873561164 /nfs/dbraw/zinc/56/11/64/873561164.db2.gz YZJKOUNBJIHNRO-LYBXBRPPSA-N 2 2 395.547 3.590 20 0 GHADLP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527754791 873561169 /nfs/dbraw/zinc/56/11/69/873561169.db2.gz YZJKOUNBJIHNRO-LYBXBRPPSA-N 2 2 395.547 3.590 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc(-c2ccccc2)n(C)n1 ZINC000527879011 873741782 /nfs/dbraw/zinc/74/17/82/873741782.db2.gz CQZFBBPFPYWZKH-YLJYHZDGSA-N 2 2 390.535 3.796 20 0 GHADLP C[NH+](C)CCOc1ccccc1N1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527902690 873754254 /nfs/dbraw/zinc/75/42/54/873754254.db2.gz RYEBONXFIUEHTO-UHFFFAOYSA-N 2 2 376.504 3.502 20 0 GHADLP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000541571057 873884025 /nfs/dbraw/zinc/88/40/25/873884025.db2.gz MMPGPIQYBBLDNP-ISKFKSNPSA-N 2 2 391.490 3.667 20 0 GHADLP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000541571057 873884040 /nfs/dbraw/zinc/88/40/40/873884040.db2.gz MMPGPIQYBBLDNP-ISKFKSNPSA-N 2 2 391.490 3.667 20 0 GHADLP CC(=O)c1c(F)cccc1NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198031569 874189804 /nfs/dbraw/zinc/18/98/04/874189804.db2.gz WDHKLULIYAURQG-UHFFFAOYSA-N 2 2 385.483 3.664 20 0 GHADLP CC(=O)c1c(F)cccc1NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198031569 874189814 /nfs/dbraw/zinc/18/98/14/874189814.db2.gz WDHKLULIYAURQG-UHFFFAOYSA-N 2 2 385.483 3.664 20 0 GHADLP O=C(NCCCCCCC[NH+]1CCCC1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000921280193 882804259 /nfs/dbraw/zinc/80/42/59/882804259.db2.gz DWNCUMFDPQNTII-UHFFFAOYSA-N 2 2 387.572 3.714 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](C[NH+]1CCC[C@H]1C1OCCO1)c1ccccc1 ZINC001198269892 874339398 /nfs/dbraw/zinc/33/93/98/874339398.db2.gz FZQDKRAEXPYRGC-GOTSBHOMSA-N 2 2 380.532 3.740 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CCC[C@H]1C1OCCO1)c1ccccc1 ZINC001198269892 874339407 /nfs/dbraw/zinc/33/94/07/874339407.db2.gz FZQDKRAEXPYRGC-GOTSBHOMSA-N 2 2 380.532 3.740 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+]1CCC[C@H]1C1OCCO1)c1ccccc1 ZINC001198269892 874339414 /nfs/dbraw/zinc/33/94/14/874339414.db2.gz FZQDKRAEXPYRGC-GOTSBHOMSA-N 2 2 380.532 3.740 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](C[N@H+]1CCC[C@H]1C1OCCO1)c1ccccc1 ZINC001198269892 874339421 /nfs/dbraw/zinc/33/94/21/874339421.db2.gz FZQDKRAEXPYRGC-GOTSBHOMSA-N 2 2 380.532 3.740 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](C[NH+]1CCC[C@@H]1C1OCCO1)c1ccccc1 ZINC001198269895 874339467 /nfs/dbraw/zinc/33/94/67/874339467.db2.gz FZQDKRAEXPYRGC-XZOQPEGZSA-N 2 2 380.532 3.740 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CCC[C@@H]1C1OCCO1)c1ccccc1 ZINC001198269895 874339477 /nfs/dbraw/zinc/33/94/77/874339477.db2.gz FZQDKRAEXPYRGC-XZOQPEGZSA-N 2 2 380.532 3.740 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+]1CCC[C@@H]1C1OCCO1)c1ccccc1 ZINC001198269895 874339484 /nfs/dbraw/zinc/33/94/84/874339484.db2.gz FZQDKRAEXPYRGC-XZOQPEGZSA-N 2 2 380.532 3.740 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](C[N@H+]1CCC[C@@H]1C1OCCO1)c1ccccc1 ZINC001198269895 874339493 /nfs/dbraw/zinc/33/94/93/874339493.db2.gz FZQDKRAEXPYRGC-XZOQPEGZSA-N 2 2 380.532 3.740 20 0 GHADLP C[C@@H]([NH2+]Cc1ccnn1C1CCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000449130771 874517081 /nfs/dbraw/zinc/51/70/81/874517081.db2.gz HSLBHIPRNPNNEQ-QGZVFWFLSA-N 2 2 385.531 3.740 20 0 GHADLP CC[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804778 874517296 /nfs/dbraw/zinc/51/72/96/874517296.db2.gz IMVUNARMKCESNL-SFHLNBCPSA-N 2 2 386.584 3.561 20 0 GHADLP CC[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804778 874517305 /nfs/dbraw/zinc/51/73/05/874517305.db2.gz IMVUNARMKCESNL-SFHLNBCPSA-N 2 2 386.584 3.561 20 0 GHADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000449143168 874531256 /nfs/dbraw/zinc/53/12/56/874531256.db2.gz HOFIWLOBOKVHHC-PGRDOPGGSA-N 2 2 395.522 3.616 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cn(C)nc1Br ZINC000858099021 882843299 /nfs/dbraw/zinc/84/32/99/882843299.db2.gz STMMWQJPHAJUGH-HNNXBMFYSA-N 2 2 391.357 3.847 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cn(C)nc1Br ZINC000858099021 882843313 /nfs/dbraw/zinc/84/33/13/882843313.db2.gz STMMWQJPHAJUGH-HNNXBMFYSA-N 2 2 391.357 3.847 20 0 GHADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cccc(F)c1Br ZINC000449326950 874710765 /nfs/dbraw/zinc/71/07/65/874710765.db2.gz AMWLFYSGVUWJHA-UHFFFAOYSA-N 2 2 396.304 3.604 20 0 GHADLP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449349753 874743678 /nfs/dbraw/zinc/74/36/78/874743678.db2.gz HAYMFEZGFUVWFZ-KRWDZBQOSA-N 2 2 396.922 3.753 20 0 GHADLP C[NH+](C)Cc1nc(CSCCNc2cc(N)c(C(F)(F)F)c[nH+]2)cs1 ZINC001168109099 874848745 /nfs/dbraw/zinc/84/87/45/874848745.db2.gz MJPHBEJYLIHJFQ-UHFFFAOYSA-N 2 2 391.488 3.546 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]C3CC[NH+](Cc4ccccc4C)CC3)cc12 ZINC001199377088 874955688 /nfs/dbraw/zinc/95/56/88/874955688.db2.gz VPLGALWTAQZXTI-UHFFFAOYSA-N 2 2 397.954 3.993 20 0 GHADLP COc1cc(C)ccc1C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449526596 875003537 /nfs/dbraw/zinc/00/35/37/875003537.db2.gz WQIMRYMMLPMWOE-UHFFFAOYSA-N 2 2 381.520 3.716 20 0 GHADLP C[C@H](O)c1ccc(C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)cc1 ZINC001199731983 875153951 /nfs/dbraw/zinc/15/39/51/875153951.db2.gz AUNCAMPTIRHHHM-INIZCTEOSA-N 2 2 385.895 3.959 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@@H](C[N@H+](C)Cc3ccccc3)C(C)C)ccc2[nH+]1 ZINC001199768220 875173201 /nfs/dbraw/zinc/17/32/01/875173201.db2.gz UJTFFOANJSWXFR-FQEVSTJZSA-N 2 2 379.508 3.921 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@@H](C[N@@H+](C)Cc3ccccc3)C(C)C)ccc2[nH+]1 ZINC001199768220 875173205 /nfs/dbraw/zinc/17/32/05/875173205.db2.gz UJTFFOANJSWXFR-FQEVSTJZSA-N 2 2 379.508 3.921 20 0 GHADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000529006207 875401536 /nfs/dbraw/zinc/40/15/36/875401536.db2.gz AWHJATIFFWUUPB-MJGOQNOKSA-N 2 2 392.906 3.714 20 0 GHADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000529006207 875401546 /nfs/dbraw/zinc/40/15/46/875401546.db2.gz AWHJATIFFWUUPB-MJGOQNOKSA-N 2 2 392.906 3.714 20 0 GHADLP CCCCC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000771767149 875472336 /nfs/dbraw/zinc/47/23/36/875472336.db2.gz WKURQEPLPDBUHD-UXHICEINSA-N 2 2 380.621 3.791 20 0 GHADLP CCCCC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000771767149 875472344 /nfs/dbraw/zinc/47/23/44/875472344.db2.gz WKURQEPLPDBUHD-UXHICEINSA-N 2 2 380.621 3.791 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(F)c(Br)c3)[nH+]c2)C1 ZINC001201536392 875734501 /nfs/dbraw/zinc/73/45/01/875734501.db2.gz QMOJBHMZQHGVIO-OAHLLOKOSA-N 2 2 393.304 3.736 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(Br)s3)[nH+]c2)C1 ZINC001201536422 875734580 /nfs/dbraw/zinc/73/45/80/875734580.db2.gz RHDBOBCKJYHKRQ-CYBMUJFWSA-N 2 2 381.343 3.658 20 0 GHADLP Clc1cc(C[NH2+]C[C@H]2CCCCN2C2CC2)ccc1OCCn1cc[nH+]c1 ZINC001202298440 876117735 /nfs/dbraw/zinc/11/77/35/876117735.db2.gz AIWWEDCQLLDZQJ-LJQANCHMSA-N 2 2 388.943 3.722 20 0 GHADLP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000173192284 876235867 /nfs/dbraw/zinc/23/58/67/876235867.db2.gz UYHXTRCKVVICRF-UHFFFAOYSA-N 2 2 394.519 3.938 20 0 GHADLP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000173192284 876235881 /nfs/dbraw/zinc/23/58/81/876235881.db2.gz UYHXTRCKVVICRF-UHFFFAOYSA-N 2 2 394.519 3.938 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2cccc3[nH+]ccn32)c1 ZINC000537657234 883025909 /nfs/dbraw/zinc/02/59/09/883025909.db2.gz KWPNPEPDOSJTHM-INIZCTEOSA-N 2 2 395.482 3.898 20 0 GHADLP C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCc2cccc3[nH+]ccn32)c1 ZINC000537657234 883025929 /nfs/dbraw/zinc/02/59/29/883025929.db2.gz KWPNPEPDOSJTHM-INIZCTEOSA-N 2 2 395.482 3.898 20 0 GHADLP C[NH+]1CCC(CNC(=O)Cc2c(Cl)cccc2Cl)([NH+]2CCCCC2)CC1 ZINC000460496704 883037855 /nfs/dbraw/zinc/03/78/55/883037855.db2.gz ZHJWOGKJOKLGMZ-UHFFFAOYSA-N 2 2 398.378 3.602 20 0 GHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)n1 ZINC000450800465 876923785 /nfs/dbraw/zinc/92/37/85/876923785.db2.gz YLCQXFVFPWAWST-FUHWJXTLSA-N 2 2 393.560 3.560 20 0 GHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)n1 ZINC000450800465 876923800 /nfs/dbraw/zinc/92/38/00/876923800.db2.gz YLCQXFVFPWAWST-FUHWJXTLSA-N 2 2 393.560 3.560 20 0 GHADLP COC(=O)c1nc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)ccc1Cl ZINC000850514599 876984906 /nfs/dbraw/zinc/98/49/06/876984906.db2.gz VCEHASPUMWQORB-RHSMWYFYSA-N 2 2 379.932 3.654 20 0 GHADLP CC[N@H+](CCC(=O)Nc1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392915 877003777 /nfs/dbraw/zinc/00/37/77/877003777.db2.gz SUGZWWGMRAVYET-UHFFFAOYSA-N 2 2 384.499 3.788 20 0 GHADLP CC[N@@H+](CCC(=O)Nc1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392915 877003785 /nfs/dbraw/zinc/00/37/85/877003785.db2.gz SUGZWWGMRAVYET-UHFFFAOYSA-N 2 2 384.499 3.788 20 0 GHADLP Cn1c2ccc(C[N@H+](C)C3CC[NH+](Cc4ccccc4)CC3)cc2sc1=O ZINC000195007872 883102298 /nfs/dbraw/zinc/10/22/98/883102298.db2.gz CZPSYOBTAJEEKF-UHFFFAOYSA-N 2 2 381.545 3.696 20 0 GHADLP Cn1c2ccc(C[N@@H+](C)C3CC[NH+](Cc4ccccc4)CC3)cc2sc1=O ZINC000195007872 883102308 /nfs/dbraw/zinc/10/23/08/883102308.db2.gz CZPSYOBTAJEEKF-UHFFFAOYSA-N 2 2 381.545 3.696 20 0 GHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc([S@](C)=O)cc1 ZINC000373524005 877317196 /nfs/dbraw/zinc/31/71/96/877317196.db2.gz XDNOXBUETULUNI-BGLYBGBUSA-N 2 2 388.499 3.880 20 0 GHADLP CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000610133273 877449371 /nfs/dbraw/zinc/44/93/71/877449371.db2.gz NNRQFAOMFZCGRC-UHFFFAOYSA-N 2 2 376.545 3.541 20 0 GHADLP CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000610133273 877449377 /nfs/dbraw/zinc/44/93/77/877449377.db2.gz NNRQFAOMFZCGRC-UHFFFAOYSA-N 2 2 376.545 3.541 20 0 GHADLP CC[N@H+](CC[C@H]1COC(C)(C)O1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000851849411 877940892 /nfs/dbraw/zinc/94/08/92/877940892.db2.gz UJUBJFKQFNPMNI-IBGZPJMESA-N 2 2 390.572 3.741 20 0 GHADLP CC[N@@H+](CC[C@H]1COC(C)(C)O1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000851849411 877940903 /nfs/dbraw/zinc/94/09/03/877940903.db2.gz UJUBJFKQFNPMNI-IBGZPJMESA-N 2 2 390.572 3.741 20 0 GHADLP O=C1C[C@@H](c2ccc(Cl)cc2)N1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788383367 878047656 /nfs/dbraw/zinc/04/76/56/878047656.db2.gz XLIIUHPHHFHTST-FQEVSTJZSA-N 2 2 398.938 3.983 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2)cs1 ZINC000245588960 878158614 /nfs/dbraw/zinc/15/86/14/878158614.db2.gz KHYKXOZIIJSPQZ-YWZLYKJASA-N 2 2 395.532 3.837 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2)cs1 ZINC000245588960 878158630 /nfs/dbraw/zinc/15/86/30/878158630.db2.gz KHYKXOZIIJSPQZ-YWZLYKJASA-N 2 2 395.532 3.837 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(CC([NH2+]C[C@@H]3CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000788612772 878210443 /nfs/dbraw/zinc/21/04/43/878210443.db2.gz VNSFENNUJVVJFM-FQEVSTJZSA-N 2 2 385.552 3.640 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(CC([NH2+]C[C@@H]3CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000788612772 878210457 /nfs/dbraw/zinc/21/04/57/878210457.db2.gz VNSFENNUJVVJFM-FQEVSTJZSA-N 2 2 385.552 3.640 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3COCc4cccc(Cl)c43)[nH+]c2)CC1 ZINC000788705187 878267908 /nfs/dbraw/zinc/26/79/08/878267908.db2.gz OZTVVYWPAYVNRI-IBGZPJMESA-N 2 2 386.927 3.949 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3COCc4cccc(Cl)c43)[nH+]c2)CC1 ZINC000788705188 878268618 /nfs/dbraw/zinc/26/86/18/878268618.db2.gz OZTVVYWPAYVNRI-LJQANCHMSA-N 2 2 386.927 3.949 20 0 GHADLP Brc1cnc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000924645091 878345983 /nfs/dbraw/zinc/34/59/83/878345983.db2.gz DKGRWIQYIVRNTF-MRXNPFEDSA-N 2 2 375.314 3.587 20 0 GHADLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1nc2c(s1)CCCC2 ZINC000537882521 878453253 /nfs/dbraw/zinc/45/32/53/878453253.db2.gz KYVXLKCFTVINTF-FXAWDEMLSA-N 2 2 384.593 3.661 20 0 GHADLP CC(C)([NH3+])CCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000649312687 878459229 /nfs/dbraw/zinc/45/92/29/878459229.db2.gz JLBVDUGPNSDZHA-UHFFFAOYSA-N 2 2 376.504 3.732 20 0 GHADLP O[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(C(F)(F)F)c1 ZINC000180172272 878603226 /nfs/dbraw/zinc/60/32/26/878603226.db2.gz YZXIEKKLTXIFJW-OAHLLOKOSA-N 2 2 384.364 3.745 20 0 GHADLP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC001183279836 912379730 /nfs/dbraw/zinc/37/97/30/912379730.db2.gz FAVAFLGBSQRHJP-LJQANCHMSA-N 2 2 397.485 3.911 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC[C@H]21 ZINC000246107692 878988430 /nfs/dbraw/zinc/98/84/30/878988430.db2.gz JPIQGPCHAMYSML-NFBKMPQASA-N 2 2 387.531 3.850 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC[C@H]21 ZINC000246107692 878988442 /nfs/dbraw/zinc/98/84/42/878988442.db2.gz JPIQGPCHAMYSML-NFBKMPQASA-N 2 2 387.531 3.850 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC[C@H]21 ZINC000246107692 878988454 /nfs/dbraw/zinc/98/84/54/878988454.db2.gz JPIQGPCHAMYSML-NFBKMPQASA-N 2 2 387.531 3.850 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC[C@H]21 ZINC000246107692 878988466 /nfs/dbraw/zinc/98/84/66/878988466.db2.gz JPIQGPCHAMYSML-NFBKMPQASA-N 2 2 387.531 3.850 20 0 GHADLP CN(C(=O)N[C@H](C1CC1)C1CCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000459202596 879032114 /nfs/dbraw/zinc/03/21/14/879032114.db2.gz SPWJIUBUHWLBKG-FSSWDIPSSA-N 2 2 390.616 3.544 20 0 GHADLP CN(C(=O)N[C@H](C1CC1)C1CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459202596 879032126 /nfs/dbraw/zinc/03/21/26/879032126.db2.gz SPWJIUBUHWLBKG-FSSWDIPSSA-N 2 2 390.616 3.544 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H]3CC[NH+](C(C)(C)C)C3)n2)C1 ZINC000853811977 879297989 /nfs/dbraw/zinc/29/79/89/879297989.db2.gz CNYAWRZSMBOFQW-HOTGVXAUSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H]3CC[NH+](C(C)(C)C)C3)n2)C1 ZINC000853811977 879298000 /nfs/dbraw/zinc/29/80/00/879298000.db2.gz CNYAWRZSMBOFQW-HOTGVXAUSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@@H]3CC[N@@H+](C(C)(C)C)C3)n2)C1 ZINC000853811977 879298013 /nfs/dbraw/zinc/29/80/13/879298013.db2.gz CNYAWRZSMBOFQW-HOTGVXAUSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@@H]3CC[N@H+](C(C)(C)C)C3)n2)C1 ZINC000853811977 879298026 /nfs/dbraw/zinc/29/80/26/879298026.db2.gz CNYAWRZSMBOFQW-HOTGVXAUSA-N 2 2 393.601 3.617 20 0 GHADLP CCc1ncsc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538354728 879341910 /nfs/dbraw/zinc/34/19/10/879341910.db2.gz WCCNMKWEXCRFME-QZTJIDSGSA-N 2 2 393.601 3.506 20 0 GHADLP CCc1ncsc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538354728 879341928 /nfs/dbraw/zinc/34/19/28/879341928.db2.gz WCCNMKWEXCRFME-QZTJIDSGSA-N 2 2 393.601 3.506 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC001183394915 912476069 /nfs/dbraw/zinc/47/60/69/912476069.db2.gz JEDHJJUKVMMQGG-NQHRYMMQSA-N 2 2 399.623 3.829 20 0 GHADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC001183394915 912476077 /nfs/dbraw/zinc/47/60/77/912476077.db2.gz JEDHJJUKVMMQGG-NQHRYMMQSA-N 2 2 399.623 3.829 20 0 GHADLP CC(C)[N@H+](C)CC1CC[NH+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000531347429 879670994 /nfs/dbraw/zinc/67/09/94/879670994.db2.gz XBIZFUOPRDQWLI-UHFFFAOYSA-N 2 2 394.625 3.810 20 0 GHADLP CC(C)[N@@H+](C)CC1CC[NH+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000531347429 879670997 /nfs/dbraw/zinc/67/09/97/879670997.db2.gz XBIZFUOPRDQWLI-UHFFFAOYSA-N 2 2 394.625 3.810 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246898563 879844285 /nfs/dbraw/zinc/84/42/85/879844285.db2.gz MGFSKPGHJDTWMX-WTIAFYNJSA-N 2 2 391.559 3.697 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246898563 879844294 /nfs/dbraw/zinc/84/42/94/879844294.db2.gz MGFSKPGHJDTWMX-WTIAFYNJSA-N 2 2 391.559 3.697 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246898563 879844301 /nfs/dbraw/zinc/84/43/01/879844301.db2.gz MGFSKPGHJDTWMX-WTIAFYNJSA-N 2 2 391.559 3.697 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246898563 879844311 /nfs/dbraw/zinc/84/43/11/879844311.db2.gz MGFSKPGHJDTWMX-WTIAFYNJSA-N 2 2 391.559 3.697 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000247057423 879902030 /nfs/dbraw/zinc/90/20/30/879902030.db2.gz NPULWQIBCAMTBN-GBXCKJPGSA-N 2 2 392.591 3.719 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000247057423 879902040 /nfs/dbraw/zinc/90/20/40/879902040.db2.gz NPULWQIBCAMTBN-GBXCKJPGSA-N 2 2 392.591 3.719 20 0 GHADLP CCCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000247054364 879902300 /nfs/dbraw/zinc/90/23/00/879902300.db2.gz PBDUWXVMQRAMJG-DWLFOUALSA-N 2 2 386.584 3.856 20 0 GHADLP CCCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000247054364 879902307 /nfs/dbraw/zinc/90/23/07/879902307.db2.gz PBDUWXVMQRAMJG-DWLFOUALSA-N 2 2 386.584 3.856 20 0 GHADLP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247781850 880065638 /nfs/dbraw/zinc/06/56/38/880065638.db2.gz XSYWULLHWKXGGO-CKEIUWERSA-N 2 2 380.414 3.812 20 0 GHADLP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247781850 880065652 /nfs/dbraw/zinc/06/56/52/880065652.db2.gz XSYWULLHWKXGGO-CKEIUWERSA-N 2 2 380.414 3.812 20 0 GHADLP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247781851 880066311 /nfs/dbraw/zinc/06/63/11/880066311.db2.gz XSYWULLHWKXGGO-CPUCHLNUSA-N 2 2 380.414 3.812 20 0 GHADLP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247781851 880066320 /nfs/dbraw/zinc/06/63/20/880066320.db2.gz XSYWULLHWKXGGO-CPUCHLNUSA-N 2 2 380.414 3.812 20 0 GHADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2(C(=O)Nc3ccccc3)CC2)CC1 ZINC000453191940 880598364 /nfs/dbraw/zinc/59/83/64/880598364.db2.gz BWCCPXYUHXZKND-LJQANCHMSA-N 2 2 377.532 3.843 20 0 GHADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000531851748 880605558 /nfs/dbraw/zinc/60/55/58/880605558.db2.gz DDOHMLUUNPGLFJ-UHFFFAOYSA-N 2 2 384.549 3.617 20 0 GHADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000186878552 881010802 /nfs/dbraw/zinc/01/08/02/881010802.db2.gz GAOWMMKXKGLVQO-WZONZLPQSA-N 2 2 375.520 3.829 20 0 GHADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000186878552 881010816 /nfs/dbraw/zinc/01/08/16/881010816.db2.gz GAOWMMKXKGLVQO-WZONZLPQSA-N 2 2 375.520 3.829 20 0 GHADLP CC[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(OC)cc2)[C@@H]([NH3+])c2ccc(OC)cc2)CCO1 ZINC001170181198 881192648 /nfs/dbraw/zinc/19/26/48/881192648.db2.gz FXEHCRYCUNRDCV-YDLSIGKMSA-N 2 2 384.520 3.992 20 0 GHADLP Cn1cc([C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2cccc(F)c2)cn1 ZINC000195132292 883189326 /nfs/dbraw/zinc/18/93/26/883189326.db2.gz XKVRIZISMMRUJA-CVDCTZTESA-N 2 2 378.495 3.760 20 0 GHADLP Cn1cc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2cccc(F)c2)cn1 ZINC000195132292 883189334 /nfs/dbraw/zinc/18/93/34/883189334.db2.gz XKVRIZISMMRUJA-CVDCTZTESA-N 2 2 378.495 3.760 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2cc(F)c3ccccc3c2)([NH+]2CCCCC2)CC1 ZINC000551133007 883342520 /nfs/dbraw/zinc/34/25/20/883342520.db2.gz BCAMSXRJWAYVOR-UHFFFAOYSA-N 2 2 383.511 3.659 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000116383206 883404918 /nfs/dbraw/zinc/40/49/18/883404918.db2.gz WUEQZLURPSWASY-KUHUBIRLSA-N 2 2 392.316 3.983 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000116383206 883404929 /nfs/dbraw/zinc/40/49/29/883404929.db2.gz WUEQZLURPSWASY-KUHUBIRLSA-N 2 2 392.316 3.983 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000551263755 883572572 /nfs/dbraw/zinc/57/25/72/883572572.db2.gz DOCPVDIGHIYYJV-BEFAXECRSA-N 2 2 378.442 3.538 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000551263755 883572579 /nfs/dbraw/zinc/57/25/79/883572579.db2.gz DOCPVDIGHIYYJV-BEFAXECRSA-N 2 2 378.442 3.538 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000551274180 883585730 /nfs/dbraw/zinc/58/57/30/883585730.db2.gz CFKMWJYJQXMXJW-MGPUTAFESA-N 2 2 389.337 3.519 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000551274180 883585732 /nfs/dbraw/zinc/58/57/32/883585732.db2.gz CFKMWJYJQXMXJW-MGPUTAFESA-N 2 2 389.337 3.519 20 0 GHADLP Cc1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000643547797 912732812 /nfs/dbraw/zinc/73/28/12/912732812.db2.gz JBKDLWCIDPZUFZ-RBBKRZOGSA-N 2 2 398.572 3.752 20 0 GHADLP Cc1[nH+]ccn1C[C@H](C)CNc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000194184873 883711151 /nfs/dbraw/zinc/71/11/51/883711151.db2.gz XTQQDWDZAVNXRX-CQSZACIVSA-N 2 2 378.480 3.943 20 0 GHADLP c1cn(-c2csc(C[NH2+]C[C@@H]3CSCCN3Cc3ccccc3)c2)c[nH+]1 ZINC000428545733 884020837 /nfs/dbraw/zinc/02/08/37/884020837.db2.gz MECZWSQVOUAZOA-LJQANCHMSA-N 2 2 384.574 3.641 20 0 GHADLP OC[C@@H]1COc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000897948841 884525626 /nfs/dbraw/zinc/52/56/26/884525626.db2.gz RITJOVXPMUTMCW-OMXLDXBASA-N 2 2 378.516 3.686 20 0 GHADLP OC[C@@H]1COc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000897948841 884525640 /nfs/dbraw/zinc/52/56/40/884525640.db2.gz RITJOVXPMUTMCW-OMXLDXBASA-N 2 2 378.516 3.686 20 0 GHADLP COc1ccc(C[NH+](C)C)cc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000666284806 884612041 /nfs/dbraw/zinc/61/20/41/884612041.db2.gz FVGQIDWVEMEWER-SFHVURJKSA-N 2 2 378.476 3.641 20 0 GHADLP C[C@@H]1C[C@@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCN1C(=O)OC(C)(C)C ZINC001183864643 912884703 /nfs/dbraw/zinc/88/47/03/912884703.db2.gz MSFUVWZYCPTHCI-MSOLQXFVSA-N 2 2 388.556 3.994 20 0 GHADLP Cc1ccc(C2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cn1 ZINC000556500156 885127778 /nfs/dbraw/zinc/12/77/78/885127778.db2.gz SAVGXZLYRSANNS-DEOSSOPVSA-N 2 2 379.548 3.861 20 0 GHADLP Cc1ccc(C2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cn1 ZINC000556500156 885127794 /nfs/dbraw/zinc/12/77/94/885127794.db2.gz SAVGXZLYRSANNS-DEOSSOPVSA-N 2 2 379.548 3.861 20 0 GHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCC[N@H+](C)C2CC2)n1 ZINC000498648967 885187926 /nfs/dbraw/zinc/18/79/26/885187926.db2.gz LZXOGZXMQVELHH-UHFFFAOYSA-N 2 2 381.549 3.926 20 0 GHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCC[N@@H+](C)C2CC2)n1 ZINC000498648967 885187932 /nfs/dbraw/zinc/18/79/32/885187932.db2.gz LZXOGZXMQVELHH-UHFFFAOYSA-N 2 2 381.549 3.926 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Br)cc1F ZINC000655768057 885473997 /nfs/dbraw/zinc/47/39/97/885473997.db2.gz OMJCDFUWVWTOJM-XJKSGUPXSA-N 2 2 385.321 3.882 20 0 GHADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000556587004 885570620 /nfs/dbraw/zinc/57/06/20/885570620.db2.gz YKPYLRRIZFHCHG-SFHVURJKSA-N 2 2 379.508 3.598 20 0 GHADLP CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000556587004 885570627 /nfs/dbraw/zinc/57/06/27/885570627.db2.gz YKPYLRRIZFHCHG-SFHVURJKSA-N 2 2 379.508 3.598 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000532497479 885873795 /nfs/dbraw/zinc/87/37/95/885873795.db2.gz IUVRFYWPWOGEGD-LJQANCHMSA-N 2 2 382.401 3.571 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000532497479 885873805 /nfs/dbraw/zinc/87/38/05/885873805.db2.gz IUVRFYWPWOGEGD-LJQANCHMSA-N 2 2 382.401 3.571 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498837744 885898050 /nfs/dbraw/zinc/89/80/50/885898050.db2.gz MROFWONGAYHNSN-ZCNNSNEGSA-N 2 2 389.559 3.835 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498837744 885898060 /nfs/dbraw/zinc/89/80/60/885898060.db2.gz MROFWONGAYHNSN-ZCNNSNEGSA-N 2 2 389.559 3.835 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498838351 885901576 /nfs/dbraw/zinc/90/15/76/885901576.db2.gz OTVRHGZAHKXMHB-GGAORHGYSA-N 2 2 385.596 3.868 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498838351 885901586 /nfs/dbraw/zinc/90/15/86/885901586.db2.gz OTVRHGZAHKXMHB-GGAORHGYSA-N 2 2 385.596 3.868 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000056895239 886389943 /nfs/dbraw/zinc/38/99/43/886389943.db2.gz QHRJYKMMMIUAJM-UHFFFAOYSA-N 2 2 391.519 3.714 20 0 GHADLP Cc1noc([C@H]2CCCC[NH+]2CCCC[N@H+]2CCCC[C@@H]2c2nc(C)no2)n1 ZINC000556879688 886468970 /nfs/dbraw/zinc/46/89/70/886468970.db2.gz SIQCZXSQTLNCAB-QZTJIDSGSA-N 2 2 388.516 3.604 20 0 GHADLP Cc1noc([C@H]2CCCC[NH+]2CCCC[N@@H+]2CCCC[C@@H]2c2nc(C)no2)n1 ZINC000556879688 886468978 /nfs/dbraw/zinc/46/89/78/886468978.db2.gz SIQCZXSQTLNCAB-QZTJIDSGSA-N 2 2 388.516 3.604 20 0 GHADLP C[N@@H+]1CCC[C@H](c2cccc(C(=O)N[C@H](Cn3cc[nH+]c3)c3ccccc3)c2)C1 ZINC001184191242 913049372 /nfs/dbraw/zinc/04/93/72/913049372.db2.gz QEZQWAHCXYPTAY-XZOQPEGZSA-N 2 2 388.515 3.864 20 0 GHADLP C[N@H+]1CCC[C@H](c2cccc(C(=O)N[C@H](Cn3cc[nH+]c3)c3ccccc3)c2)C1 ZINC001184191242 913049385 /nfs/dbraw/zinc/04/93/85/913049385.db2.gz QEZQWAHCXYPTAY-XZOQPEGZSA-N 2 2 388.515 3.864 20 0 GHADLP Cc1ccc(F)cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000119346958 886563179 /nfs/dbraw/zinc/56/31/79/886563179.db2.gz MSTWNRSLEUCULI-LEWJYISDSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1ccc(F)cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000119346958 886563192 /nfs/dbraw/zinc/56/31/92/886563192.db2.gz MSTWNRSLEUCULI-LEWJYISDSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000119374309 886630506 /nfs/dbraw/zinc/63/05/06/886630506.db2.gz BCNPWAPNIBXBHW-NHCUHLMSSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000119374309 886630520 /nfs/dbraw/zinc/63/05/20/886630520.db2.gz BCNPWAPNIBXBHW-NHCUHLMSSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762734155 886770670 /nfs/dbraw/zinc/77/06/70/886770670.db2.gz OCNUKMMIOQBWHZ-UZLBHIALSA-N 2 2 392.906 3.573 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762734155 886770676 /nfs/dbraw/zinc/77/06/76/886770676.db2.gz OCNUKMMIOQBWHZ-UZLBHIALSA-N 2 2 392.906 3.573 20 0 GHADLP O[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccc(F)c(F)c1 ZINC000747532948 886850531 /nfs/dbraw/zinc/85/05/31/886850531.db2.gz VCKOMLADBQZNQN-XZOQPEGZSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccc(F)c(F)c1 ZINC000747532948 886850546 /nfs/dbraw/zinc/85/05/46/886850546.db2.gz VCKOMLADBQZNQN-XZOQPEGZSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccc(F)c(F)c1 ZINC000747532948 886850561 /nfs/dbraw/zinc/85/05/61/886850561.db2.gz VCKOMLADBQZNQN-XZOQPEGZSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccc(F)c(F)c1 ZINC000747532948 886850575 /nfs/dbraw/zinc/85/05/75/886850575.db2.gz VCKOMLADBQZNQN-XZOQPEGZSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccc(F)c(F)c1 ZINC000747532947 886850929 /nfs/dbraw/zinc/85/09/29/886850929.db2.gz VCKOMLADBQZNQN-PKTZIBPZSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccc(F)c(F)c1 ZINC000747532947 886850940 /nfs/dbraw/zinc/85/09/40/886850940.db2.gz VCKOMLADBQZNQN-PKTZIBPZSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccc(F)c(F)c1 ZINC000747532947 886850958 /nfs/dbraw/zinc/85/09/58/886850958.db2.gz VCKOMLADBQZNQN-PKTZIBPZSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccc(F)c(F)c1 ZINC000747532947 886850970 /nfs/dbraw/zinc/85/09/70/886850970.db2.gz VCKOMLADBQZNQN-PKTZIBPZSA-N 2 2 386.486 3.986 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1nc(C(F)(F)F)cs1 ZINC000467633610 887072331 /nfs/dbraw/zinc/07/23/31/887072331.db2.gz PXJHKFUVKQXYOU-CZUORRHYSA-N 2 2 399.482 3.969 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1nc(C(F)(F)F)cs1 ZINC000467633610 887072346 /nfs/dbraw/zinc/07/23/46/887072346.db2.gz PXJHKFUVKQXYOU-CZUORRHYSA-N 2 2 399.482 3.969 20 0 GHADLP C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000496069805 887460776 /nfs/dbraw/zinc/46/07/76/887460776.db2.gz IQQLHTDNGJDHOC-GOSISDBHSA-N 2 2 394.523 3.526 20 0 GHADLP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000496069805 887460778 /nfs/dbraw/zinc/46/07/78/887460778.db2.gz IQQLHTDNGJDHOC-GOSISDBHSA-N 2 2 394.523 3.526 20 0 GHADLP Cn1c[nH+]cc1CC[NH+]1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000459339408 887495024 /nfs/dbraw/zinc/49/50/24/887495024.db2.gz IAMLHCCGRSZPMY-UHFFFAOYSA-N 2 2 394.494 3.503 20 0 GHADLP COc1cccc(C[N@H+](Cc2ncc(C[NH+](C)C)s2)C2CCC(O)CC2)c1 ZINC000809565868 887545830 /nfs/dbraw/zinc/54/58/30/887545830.db2.gz BBGODKSMYPZJSC-UHFFFAOYSA-N 2 2 389.565 3.519 20 0 GHADLP COc1cccc(C[N@@H+](Cc2ncc(C[NH+](C)C)s2)C2CCC(O)CC2)c1 ZINC000809565868 887545838 /nfs/dbraw/zinc/54/58/38/887545838.db2.gz BBGODKSMYPZJSC-UHFFFAOYSA-N 2 2 389.565 3.519 20 0 GHADLP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3cccc(F)c3)CC2)c1 ZINC001168501633 887657858 /nfs/dbraw/zinc/65/78/58/887657858.db2.gz TZFRQVXWCOBFRK-QGZVFWFLSA-N 2 2 384.495 3.798 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccco2)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000809763216 887804515 /nfs/dbraw/zinc/80/45/15/887804515.db2.gz LUCZSWXQZNUQPV-UHFFFAOYSA-N 2 2 391.556 3.823 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccco2)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000809763216 887804522 /nfs/dbraw/zinc/80/45/22/887804522.db2.gz LUCZSWXQZNUQPV-UHFFFAOYSA-N 2 2 391.556 3.823 20 0 GHADLP CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000133825637 887805396 /nfs/dbraw/zinc/80/53/96/887805396.db2.gz ZQWXNHGSYKQVPH-LEWJYISDSA-N 2 2 395.551 3.674 20 0 GHADLP CCOC(=O)c1cc(CNc2[nH+]c3ccccc3n2CC[NH+](CC)CC)[nH]c1C ZINC001184453173 913231446 /nfs/dbraw/zinc/23/14/46/913231446.db2.gz VGQFWQNDPZXVQE-UHFFFAOYSA-N 2 2 397.523 3.803 20 0 GHADLP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000794834025 888272063 /nfs/dbraw/zinc/27/20/63/888272063.db2.gz WOOLNUXOENNYHN-GGPKGHCWSA-N 2 2 390.572 3.527 20 0 GHADLP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000794834025 888272078 /nfs/dbraw/zinc/27/20/78/888272078.db2.gz WOOLNUXOENNYHN-GGPKGHCWSA-N 2 2 390.572 3.527 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000865449560 888359774 /nfs/dbraw/zinc/35/97/74/888359774.db2.gz AEXAUJONNDHNIF-OAHLLOKOSA-N 2 2 398.482 3.665 20 0 GHADLP Cc1ccc(N2CCC(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)CC2)[nH+]c1 ZINC000194055350 888552631 /nfs/dbraw/zinc/55/26/31/888552631.db2.gz DINQSTCZLLODLS-IBGZPJMESA-N 2 2 398.576 3.621 20 0 GHADLP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282135062 888600747 /nfs/dbraw/zinc/60/07/47/888600747.db2.gz RPJHYJCHCPWZKX-DOTOQJQBSA-N 2 2 378.480 3.605 20 0 GHADLP C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282135062 888600756 /nfs/dbraw/zinc/60/07/56/888600756.db2.gz RPJHYJCHCPWZKX-DOTOQJQBSA-N 2 2 378.480 3.605 20 0 GHADLP C[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000533013782 889556072 /nfs/dbraw/zinc/55/60/72/889556072.db2.gz HADVKWLOLIYORP-SFHVURJKSA-N 2 2 395.572 3.793 20 0 GHADLP C[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000533013782 889556079 /nfs/dbraw/zinc/55/60/79/889556079.db2.gz HADVKWLOLIYORP-SFHVURJKSA-N 2 2 395.572 3.793 20 0 GHADLP COc1cc2c(cc1C[NH2+]C1CC[NH+]([C@@H](C)c3ccncc3)CC1)O[C@@H](C)C2 ZINC000533038449 889591070 /nfs/dbraw/zinc/59/10/70/889591070.db2.gz GCASSIAJIYXLCF-IRXDYDNUSA-N 2 2 381.520 3.729 20 0 GHADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)c2sc3ccccc3c2C)CC1 ZINC000124336552 889595616 /nfs/dbraw/zinc/59/56/16/889595616.db2.gz MYIYKSHUEVPQDX-UHFFFAOYSA-N 2 2 396.560 3.953 20 0 GHADLP CN(C(=O)c1ccc(Cl)s1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124619024 889698208 /nfs/dbraw/zinc/69/82/08/889698208.db2.gz HQMGMSDKQVUJGY-HOTGVXAUSA-N 2 2 383.989 3.811 20 0 GHADLP CN(C(=O)c1ccc(Cl)s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124619024 889698215 /nfs/dbraw/zinc/69/82/15/889698215.db2.gz HQMGMSDKQVUJGY-HOTGVXAUSA-N 2 2 383.989 3.811 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000125262592 889928276 /nfs/dbraw/zinc/92/82/76/889928276.db2.gz PUVMEKOENYDPDE-UHFFFAOYSA-N 2 2 389.547 3.910 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000125262592 889928286 /nfs/dbraw/zinc/92/82/86/889928286.db2.gz PUVMEKOENYDPDE-UHFFFAOYSA-N 2 2 389.547 3.910 20 0 GHADLP COC(=O)CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(F)c(F)c1 ZINC000533286535 890192353 /nfs/dbraw/zinc/19/23/53/890192353.db2.gz GUCODWFELBDCRG-UHFFFAOYSA-N 2 2 385.414 3.716 20 0 GHADLP COC(=O)CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(F)c(F)c1 ZINC000533286535 890192361 /nfs/dbraw/zinc/19/23/61/890192361.db2.gz GUCODWFELBDCRG-UHFFFAOYSA-N 2 2 385.414 3.716 20 0 GHADLP CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000812018169 890209567 /nfs/dbraw/zinc/20/95/67/890209567.db2.gz QJUBMAMCBMVQAV-UHFFFAOYSA-N 2 2 376.545 3.505 20 0 GHADLP Cc1ccc(N2CCC(C(=O)N3CC[NH+]([C@H](C)c4ccccc4)CC3)CC2)[nH+]c1 ZINC000870123680 890221937 /nfs/dbraw/zinc/22/19/37/890221937.db2.gz IFNAVJRLXLKWBQ-HXUWFJFHSA-N 2 2 392.547 3.512 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCCCC[NH+]2CCCC2)c(C)c1 ZINC000455123473 890343035 /nfs/dbraw/zinc/34/30/35/890343035.db2.gz ZWAILLRVXSJMGZ-QFIPXVFZSA-N 2 2 397.567 3.807 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(Nc3ccc(C(F)(F)F)c(Cl)n3)CC2)CC1 ZINC000747809958 890898664 /nfs/dbraw/zinc/89/86/64/890898664.db2.gz FEGBIWJKJAIMGC-UHFFFAOYSA-N 2 2 376.854 3.724 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cccnc3OCC(F)F)CC2)cc1 ZINC000812841499 891029001 /nfs/dbraw/zinc/02/90/01/891029001.db2.gz RKGPGODZVCPOAB-UHFFFAOYSA-N 2 2 390.478 3.550 20 0 GHADLP c1ccc(C[NH+]2CCC3(CCN(c4nc(N5CCCC5)cc[nH+]4)C3)CC2)cc1 ZINC000644865866 913520144 /nfs/dbraw/zinc/52/01/44/913520144.db2.gz UDJJZWGONRXMKF-UHFFFAOYSA-N 2 2 377.536 3.569 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812899617 891114234 /nfs/dbraw/zinc/11/42/34/891114234.db2.gz MTRATZHKWPMDIU-SFHVURJKSA-N 2 2 389.503 3.951 20 0 GHADLP FC(F)Oc1ccc(Br)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000123950738 891152486 /nfs/dbraw/zinc/15/24/86/891152486.db2.gz PPAQICMCACRMSS-UHFFFAOYSA-N 2 2 375.257 3.767 20 0 GHADLP C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000246413554 891231894 /nfs/dbraw/zinc/23/18/94/891231894.db2.gz QWZUIUUJRRGRLA-JLMWRMLUSA-N 2 2 393.535 3.592 20 0 GHADLP C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000246413554 891231911 /nfs/dbraw/zinc/23/19/11/891231911.db2.gz QWZUIUUJRRGRLA-JLMWRMLUSA-N 2 2 393.535 3.592 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000246917106 891323605 /nfs/dbraw/zinc/32/36/05/891323605.db2.gz GNWVXCBVNQFTED-NZQKXSOJSA-N 2 2 393.579 3.857 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000246917106 891323615 /nfs/dbraw/zinc/32/36/15/891323615.db2.gz GNWVXCBVNQFTED-NZQKXSOJSA-N 2 2 393.579 3.857 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000247177425 891351527 /nfs/dbraw/zinc/35/15/27/891351527.db2.gz UZWVUZPZFBDFOK-NFBKMPQASA-N 2 2 379.548 3.630 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000247177425 891351537 /nfs/dbraw/zinc/35/15/37/891351537.db2.gz UZWVUZPZFBDFOK-NFBKMPQASA-N 2 2 379.548 3.630 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000813328744 891511564 /nfs/dbraw/zinc/51/15/64/891511564.db2.gz NHXONOWWCMQLTH-NMMYMHLASA-N 2 2 378.564 3.860 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000813328744 891511569 /nfs/dbraw/zinc/51/15/69/891511569.db2.gz NHXONOWWCMQLTH-NMMYMHLASA-N 2 2 378.564 3.860 20 0 GHADLP O=C(NCCCCCCC[NH+]1CCCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000747955022 892915335 /nfs/dbraw/zinc/91/53/35/892915335.db2.gz GWSFULVYFMRUIO-UHFFFAOYSA-N 2 2 392.613 3.622 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)C1 ZINC000814671473 893078109 /nfs/dbraw/zinc/07/81/09/893078109.db2.gz BVIVJOJHFWVYSU-OALUTQOASA-N 2 2 376.545 3.632 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)C1 ZINC000814671473 893078128 /nfs/dbraw/zinc/07/81/28/893078128.db2.gz BVIVJOJHFWVYSU-OALUTQOASA-N 2 2 376.545 3.632 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696466 893330173 /nfs/dbraw/zinc/33/01/73/893330173.db2.gz HYQXEFSXUWHHMQ-RPWUZVMVSA-N 2 2 398.639 3.785 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696466 893330191 /nfs/dbraw/zinc/33/01/91/893330191.db2.gz HYQXEFSXUWHHMQ-RPWUZVMVSA-N 2 2 398.639 3.785 20 0 GHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696466 893330205 /nfs/dbraw/zinc/33/02/05/893330205.db2.gz HYQXEFSXUWHHMQ-RPWUZVMVSA-N 2 2 398.639 3.785 20 0 GHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696466 893330221 /nfs/dbraw/zinc/33/02/21/893330221.db2.gz HYQXEFSXUWHHMQ-RPWUZVMVSA-N 2 2 398.639 3.785 20 0 GHADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444791345 893531400 /nfs/dbraw/zinc/53/14/00/893531400.db2.gz AZIJBGGDQLNJRL-ZIAGYGMSSA-N 2 2 396.413 3.525 20 0 GHADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444791345 893531420 /nfs/dbraw/zinc/53/14/20/893531420.db2.gz AZIJBGGDQLNJRL-ZIAGYGMSSA-N 2 2 396.413 3.525 20 0 GHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(Cl)nn2)cc1 ZINC000877524244 893664479 /nfs/dbraw/zinc/66/44/79/893664479.db2.gz ULMHQQGCNUZBSQ-UHFFFAOYSA-N 2 2 385.899 3.818 20 0 GHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(Cl)nn2)cc1 ZINC000877524244 893664490 /nfs/dbraw/zinc/66/44/90/893664490.db2.gz ULMHQQGCNUZBSQ-UHFFFAOYSA-N 2 2 385.899 3.818 20 0 GHADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000563406885 893696338 /nfs/dbraw/zinc/69/63/38/893696338.db2.gz CYVNAUZBVZFWNW-AVRDEDQJSA-N 2 2 394.563 3.738 20 0 GHADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000563406885 893696349 /nfs/dbraw/zinc/69/63/49/893696349.db2.gz CYVNAUZBVZFWNW-AVRDEDQJSA-N 2 2 394.563 3.738 20 0 GHADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000563406890 893696734 /nfs/dbraw/zinc/69/67/34/893696734.db2.gz CYVNAUZBVZFWNW-PGRDOPGGSA-N 2 2 394.563 3.738 20 0 GHADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000563406890 893696740 /nfs/dbraw/zinc/69/67/40/893696740.db2.gz CYVNAUZBVZFWNW-PGRDOPGGSA-N 2 2 394.563 3.738 20 0 GHADLP Ic1cccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000563677314 894053830 /nfs/dbraw/zinc/05/38/30/894053830.db2.gz VFZAEPQBMQIUNX-UHFFFAOYSA-N 2 2 389.240 3.767 20 0 GHADLP COc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc(OC)c1OCc1ccccc1 ZINC000022820922 894472445 /nfs/dbraw/zinc/47/24/45/894472445.db2.gz WIOVMTOKFDSXME-UHFFFAOYSA-N 2 2 396.531 3.999 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(OC(F)F)c1 ZINC000537455940 895026555 /nfs/dbraw/zinc/02/65/55/895026555.db2.gz MNIOUCQQXURLJC-RHSMWYFYSA-N 2 2 376.451 3.996 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](c3cccc(C(F)(F)F)c3)[NH+](C)C)ccn12 ZINC000564666702 895167490 /nfs/dbraw/zinc/16/74/90/895167490.db2.gz JSINSDGHQYUWOZ-QGZVFWFLSA-N 2 2 390.409 3.694 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)N3CCC4(CC3)CC[NH+](C)CC4)ccc21 ZINC000879719067 895256315 /nfs/dbraw/zinc/25/63/15/895256315.db2.gz LDYVENGJXUJBSR-UHFFFAOYSA-N 2 2 381.524 3.641 20 0 GHADLP COc1ccc([C@@H]([NH2+]CCc2c[nH]c3cccc(OC)c23)[C@H]2CCC[NH2+]2)cc1 ZINC000817920132 895962306 /nfs/dbraw/zinc/96/23/06/895962306.db2.gz BPWFJGKPMNCHDU-NFBKMPQASA-N 2 2 379.504 3.811 20 0 GHADLP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)c1nc2ccccc2n2c[nH+]cc12 ZINC001185693986 914024395 /nfs/dbraw/zinc/02/43/95/914024395.db2.gz UXAMSGJAAKINBX-UHFFFAOYSA-N 2 2 381.430 3.729 20 0 GHADLP C[C@H](CC[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)[NH+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000566038288 896064645 /nfs/dbraw/zinc/06/46/45/896064645.db2.gz MTMGODBXGSYBEC-OQEHDIDLSA-N 2 2 388.596 3.832 20 0 GHADLP C[C@H](CC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)[NH+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000566038288 896064659 /nfs/dbraw/zinc/06/46/59/896064659.db2.gz MTMGODBXGSYBEC-OQEHDIDLSA-N 2 2 388.596 3.832 20 0 GHADLP C[C@H](CC[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000566038288 896064671 /nfs/dbraw/zinc/06/46/71/896064671.db2.gz MTMGODBXGSYBEC-OQEHDIDLSA-N 2 2 388.596 3.832 20 0 GHADLP C[C@H](CC[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000566038288 896064683 /nfs/dbraw/zinc/06/46/83/896064683.db2.gz MTMGODBXGSYBEC-OQEHDIDLSA-N 2 2 388.596 3.832 20 0 GHADLP COC(OC)c1ccc(F)c(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000818198130 896075493 /nfs/dbraw/zinc/07/54/93/896075493.db2.gz MRUXQKMGZLUGIX-INIZCTEOSA-N 2 2 387.499 3.827 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000566244372 896196534 /nfs/dbraw/zinc/19/65/34/896196534.db2.gz LRWIEAVXGAZKSS-IIMJZQEZSA-N 2 2 387.911 3.698 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000566244372 896196544 /nfs/dbraw/zinc/19/65/44/896196544.db2.gz LRWIEAVXGAZKSS-IIMJZQEZSA-N 2 2 387.911 3.698 20 0 GHADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000566287131 896217309 /nfs/dbraw/zinc/21/73/09/896217309.db2.gz YSJSCZONCLQLFY-FDDCHVKYSA-N 2 2 388.515 3.603 20 0 GHADLP CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000566974846 896760228 /nfs/dbraw/zinc/76/02/28/896760228.db2.gz KWVQEYVXFFVWDA-IFMALSPDSA-N 2 2 398.551 3.608 20 0 GHADLP COC1CCN(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000567470606 897185279 /nfs/dbraw/zinc/18/52/79/897185279.db2.gz HWQVSUZFDCTKMT-OAQYLSRUSA-N 2 2 385.596 3.663 20 0 GHADLP COC1CCN(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000567470606 897185288 /nfs/dbraw/zinc/18/52/88/897185288.db2.gz HWQVSUZFDCTKMT-OAQYLSRUSA-N 2 2 385.596 3.663 20 0 GHADLP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]([NH3+])c3c(F)cccc3F)c2)CC1 ZINC000567764314 897384884 /nfs/dbraw/zinc/38/48/84/897384884.db2.gz WRAVAEDOLWXPLI-NRFANRHFSA-N 2 2 387.474 3.513 20 0 GHADLP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388401 897552540 /nfs/dbraw/zinc/55/25/40/897552540.db2.gz UOYWNZGGNPISFJ-FXAWDEMLSA-N 2 2 379.460 3.527 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccc(-n2cnnc2)c1 ZINC000820829799 897571088 /nfs/dbraw/zinc/57/10/88/897571088.db2.gz MMOXSXJQYZGUAL-ROUUACIJSA-N 2 2 376.508 3.539 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001136388348 897598077 /nfs/dbraw/zinc/59/80/77/897598077.db2.gz QJDOVTOKUHLUBT-UHFFFAOYSA-N 2 2 377.423 3.546 20 0 GHADLP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc(Br)c1OC ZINC000568330081 897745328 /nfs/dbraw/zinc/74/53/28/897745328.db2.gz TVHTZAQCXNBBRI-CJNGLKHVSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc(Br)c1OC ZINC000568330081 897745338 /nfs/dbraw/zinc/74/53/38/897745338.db2.gz TVHTZAQCXNBBRI-CJNGLKHVSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc(Br)c1OC ZINC000568330081 897745347 /nfs/dbraw/zinc/74/53/47/897745347.db2.gz TVHTZAQCXNBBRI-CJNGLKHVSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc(Br)c1OC ZINC000568330081 897745358 /nfs/dbraw/zinc/74/53/58/897745358.db2.gz TVHTZAQCXNBBRI-CJNGLKHVSA-N 2 2 385.346 3.628 20 0 GHADLP OCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000646017634 914190679 /nfs/dbraw/zinc/19/06/79/914190679.db2.gz OAQZHPBDMNDESQ-IBGZPJMESA-N 2 2 391.393 3.984 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)CC1 ZINC000108790962 898402004 /nfs/dbraw/zinc/40/20/04/898402004.db2.gz FAIPKDXCEKQCCH-RPWUZVMVSA-N 2 2 391.559 3.618 20 0 GHADLP Fc1cccc2c1C[C@@H]([NH+]1CCC3(CC1)C[N@H+](Cc1ccoc1)CCO3)CC2 ZINC001170990820 898470233 /nfs/dbraw/zinc/47/02/33/898470233.db2.gz PGWIPVFDGABTJA-FQEVSTJZSA-N 2 2 384.495 3.643 20 0 GHADLP Fc1cccc2c1C[C@@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccoc1)CCO3)CC2 ZINC001170990820 898470244 /nfs/dbraw/zinc/47/02/44/898470244.db2.gz PGWIPVFDGABTJA-FQEVSTJZSA-N 2 2 384.495 3.643 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1-c1noc([C@@H]2[NH2+]CCc3ccccc32)n1 ZINC000822920464 898723291 /nfs/dbraw/zinc/72/32/91/898723291.db2.gz WQJFAWSBUUURGA-OAQYLSRUSA-N 2 2 392.503 3.692 20 0 GHADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1)c1cccc2ccccc21 ZINC000111243074 898794344 /nfs/dbraw/zinc/79/43/44/898794344.db2.gz AGBBMOQJCDXHAO-QZTJIDSGSA-N 2 2 376.504 3.939 20 0 GHADLP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000569847169 898982694 /nfs/dbraw/zinc/98/26/94/898982694.db2.gz FHXKJABQDAWNBO-GOSISDBHSA-N 2 2 393.531 3.566 20 0 GHADLP CN(C)C(=O)C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000570091751 899117893 /nfs/dbraw/zinc/11/78/93/899117893.db2.gz HUJUBCKVNFHQOG-DHIUTWEWSA-N 2 2 391.559 3.993 20 0 GHADLP CN(C)C(=O)C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000570091751 899117896 /nfs/dbraw/zinc/11/78/96/899117896.db2.gz HUJUBCKVNFHQOG-DHIUTWEWSA-N 2 2 391.559 3.993 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000823729226 899227154 /nfs/dbraw/zinc/22/71/54/899227154.db2.gz DCIIHSRNQUHAPW-UHFFFAOYSA-N 2 2 394.625 3.870 20 0 GHADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824217046 899461532 /nfs/dbraw/zinc/46/15/32/899461532.db2.gz XMEWHBVOKQMTLJ-SFTDATJTSA-N 2 2 382.556 3.636 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000824414419 899612357 /nfs/dbraw/zinc/61/23/57/899612357.db2.gz ALAXGZUPBQFPAU-PFRQMTDMSA-N 2 2 388.556 3.815 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(C)c1OC ZINC000570992579 899703123 /nfs/dbraw/zinc/70/31/23/899703123.db2.gz OPJDKKVZPKHKAT-VCOUNFBDSA-N 2 2 398.547 3.546 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(C)c1OC ZINC000570992579 899703132 /nfs/dbraw/zinc/70/31/32/899703132.db2.gz OPJDKKVZPKHKAT-VCOUNFBDSA-N 2 2 398.547 3.546 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(C)c1OC ZINC000570992576 899703266 /nfs/dbraw/zinc/70/32/66/899703266.db2.gz OPJDKKVZPKHKAT-CZTZKLFOSA-N 2 2 398.547 3.546 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(C)c1OC ZINC000570992576 899703273 /nfs/dbraw/zinc/70/32/73/899703273.db2.gz OPJDKKVZPKHKAT-CZTZKLFOSA-N 2 2 398.547 3.546 20 0 GHADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC3CCOCC3)C1)C2 ZINC001171071843 899872894 /nfs/dbraw/zinc/87/28/94/899872894.db2.gz GLEFTPUECQHARL-QZTJIDSGSA-N 2 2 383.363 3.941 20 0 GHADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC3CCOCC3)C1)C2 ZINC001171071843 899872900 /nfs/dbraw/zinc/87/29/00/899872900.db2.gz GLEFTPUECQHARL-QZTJIDSGSA-N 2 2 383.363 3.941 20 0 GHADLP CC1CC[NH+]([C@@H](CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c2ccccc2)CC1 ZINC000333198159 900028619 /nfs/dbraw/zinc/02/86/19/900028619.db2.gz XZBJYWYRMPBBDH-QFIPXVFZSA-N 2 2 395.551 3.772 20 0 GHADLP CC1CC[NH+]([C@@H](CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c2ccccc2)CC1 ZINC000333198159 900028627 /nfs/dbraw/zinc/02/86/27/900028627.db2.gz XZBJYWYRMPBBDH-QFIPXVFZSA-N 2 2 395.551 3.772 20 0 GHADLP COc1ccc(OC(F)(F)F)cc1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001144008497 900882440 /nfs/dbraw/zinc/88/24/40/900882440.db2.gz FSZGWOFOTSEDRA-UHFFFAOYSA-N 2 2 381.398 3.619 20 0 GHADLP c1onc(Cc2ccccc2)c1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000575141804 901132484 /nfs/dbraw/zinc/13/24/84/901132484.db2.gz CMTGIRXXUZNTFS-JOCHJYFZSA-N 2 2 375.516 3.920 20 0 GHADLP c1onc(Cc2ccccc2)c1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000575141804 901132487 /nfs/dbraw/zinc/13/24/87/901132487.db2.gz CMTGIRXXUZNTFS-JOCHJYFZSA-N 2 2 375.516 3.920 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000093318185 901539811 /nfs/dbraw/zinc/53/98/11/901539811.db2.gz SZYLEWBOKUVYHI-AUSIDOKSSA-N 2 2 389.547 3.967 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000093318185 901539857 /nfs/dbraw/zinc/53/98/57/901539857.db2.gz SZYLEWBOKUVYHI-AUSIDOKSSA-N 2 2 389.547 3.967 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000093318185 901539888 /nfs/dbraw/zinc/53/98/88/901539888.db2.gz SZYLEWBOKUVYHI-AUSIDOKSSA-N 2 2 389.547 3.967 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000093318185 901540184 /nfs/dbraw/zinc/54/01/84/901540184.db2.gz SZYLEWBOKUVYHI-AUSIDOKSSA-N 2 2 389.547 3.967 20 0 GHADLP COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](CCc1c[nH+]cn1C)CC2 ZINC000290164142 914553580 /nfs/dbraw/zinc/55/35/80/914553580.db2.gz XUQGNXACUVEGPD-NRFANRHFSA-N 2 2 383.517 3.689 20 0 GHADLP COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](CCc1c[nH+]cn1C)CC2 ZINC000290164142 914553584 /nfs/dbraw/zinc/55/35/84/914553584.db2.gz XUQGNXACUVEGPD-NRFANRHFSA-N 2 2 383.517 3.689 20 0 GHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000290181926 914562781 /nfs/dbraw/zinc/56/27/81/914562781.db2.gz ZFTVVBBIFVBVKV-HNNXBMFYSA-N 2 2 386.483 3.511 20 0 GHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000290181926 914562793 /nfs/dbraw/zinc/56/27/93/914562793.db2.gz ZFTVVBBIFVBVKV-HNNXBMFYSA-N 2 2 386.483 3.511 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000290181926 914562801 /nfs/dbraw/zinc/56/28/01/914562801.db2.gz ZFTVVBBIFVBVKV-HNNXBMFYSA-N 2 2 386.483 3.511 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000290181926 914562808 /nfs/dbraw/zinc/56/28/08/914562808.db2.gz ZFTVVBBIFVBVKV-HNNXBMFYSA-N 2 2 386.483 3.511 20 0 GHADLP CCc1cccc(C[NH+]2CCC([N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC001144328644 901777128 /nfs/dbraw/zinc/77/71/28/901777128.db2.gz BJQULOVCMLAJKX-HXUWFJFHSA-N 2 2 387.568 3.812 20 0 GHADLP CCc1cccc(C[NH+]2CCC([N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC001144328644 901777196 /nfs/dbraw/zinc/77/71/96/901777196.db2.gz BJQULOVCMLAJKX-HXUWFJFHSA-N 2 2 387.568 3.812 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]Cc3cncc4ccccc43)CC2)cc1 ZINC000772921376 902126874 /nfs/dbraw/zinc/12/68/74/902126874.db2.gz FQWWDAOHYUPMAC-UHFFFAOYSA-N 2 2 388.559 3.922 20 0 GHADLP CC1(C)CCC[N@H+](CCNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000333602056 902216346 /nfs/dbraw/zinc/21/63/46/902216346.db2.gz YTCNVOYYNPNEGW-LJQANCHMSA-N 2 2 386.584 3.731 20 0 GHADLP CC1(C)CCC[N@@H+](CCNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000333602056 902216361 /nfs/dbraw/zinc/21/63/61/902216361.db2.gz YTCNVOYYNPNEGW-LJQANCHMSA-N 2 2 386.584 3.731 20 0 GHADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc2c(C)cc(Br)cn12 ZINC000577026553 902442863 /nfs/dbraw/zinc/44/28/63/902442863.db2.gz RLGZVZGBXHKXJV-UHFFFAOYSA-N 2 2 379.346 3.713 20 0 GHADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc2c(C)cc(Br)cn12 ZINC000577026553 902442872 /nfs/dbraw/zinc/44/28/72/902442872.db2.gz RLGZVZGBXHKXJV-UHFFFAOYSA-N 2 2 379.346 3.713 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CCN(c4nccc5sccc54)CC3)cc2)c[nH+]1 ZINC000577437948 902771783 /nfs/dbraw/zinc/77/17/83/902771783.db2.gz DUDSVKMPBWOLOH-UHFFFAOYSA-N 2 2 375.501 3.804 20 0 GHADLP C[NH+]1CCC(Nc2ccccc2NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000264170882 902890254 /nfs/dbraw/zinc/89/02/54/902890254.db2.gz JZFREGTWIOTJDJ-UHFFFAOYSA-N 2 2 389.503 3.690 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCc3csc4ccccc34)CC2)CC1 ZINC000130546455 902986837 /nfs/dbraw/zinc/98/68/37/902986837.db2.gz CDHHQZATOBKSGD-UHFFFAOYSA-N 2 2 399.604 3.899 20 0 GHADLP COc1c(Br)cccc1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001146995583 903657504 /nfs/dbraw/zinc/65/75/04/903657504.db2.gz LZFSJYQVEIOEKO-UHFFFAOYSA-N 2 2 387.237 3.599 20 0 GHADLP O=C([C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC[NH+](C2CCCC2)CC1 ZINC001147710032 903858596 /nfs/dbraw/zinc/85/85/96/903858596.db2.gz OOPREPDWCPKATC-NRFANRHFSA-N 2 2 389.971 3.781 20 0 GHADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC[NH+](C2CCCC2)CC1 ZINC001147710032 903858606 /nfs/dbraw/zinc/85/86/06/903858606.db2.gz OOPREPDWCPKATC-NRFANRHFSA-N 2 2 389.971 3.781 20 0 GHADLP O=C([C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC001147710032 903858618 /nfs/dbraw/zinc/85/86/18/903858618.db2.gz OOPREPDWCPKATC-NRFANRHFSA-N 2 2 389.971 3.781 20 0 GHADLP O=C([C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC001147710032 903858629 /nfs/dbraw/zinc/85/86/29/903858629.db2.gz OOPREPDWCPKATC-NRFANRHFSA-N 2 2 389.971 3.781 20 0 GHADLP COc1c[nH+]ccc1N1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000578576949 903976298 /nfs/dbraw/zinc/97/62/98/903976298.db2.gz UAVZUUNQUWSYBA-UHFFFAOYSA-N 2 2 376.460 3.600 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171371304 904377487 /nfs/dbraw/zinc/37/74/87/904377487.db2.gz OOFBYPWOLMZZQZ-UGKGYDQZSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171371304 904377502 /nfs/dbraw/zinc/37/75/02/904377502.db2.gz OOFBYPWOLMZZQZ-UGKGYDQZSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171371304 904377510 /nfs/dbraw/zinc/37/75/10/904377510.db2.gz OOFBYPWOLMZZQZ-UGKGYDQZSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171371304 904377524 /nfs/dbraw/zinc/37/75/24/904377524.db2.gz OOFBYPWOLMZZQZ-UGKGYDQZSA-N 2 2 378.507 3.645 20 0 GHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c2ccccc21 ZINC000579221189 904440072 /nfs/dbraw/zinc/44/00/72/904440072.db2.gz MDHCJVBFOUKLMY-KYNGSXCRSA-N 2 2 389.421 3.541 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000579532049 904677029 /nfs/dbraw/zinc/67/70/29/904677029.db2.gz NETBHDWHHHDOEN-OAQYLSRUSA-N 2 2 392.499 3.826 20 0 GHADLP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)CC1(C)C ZINC001171636163 904923461 /nfs/dbraw/zinc/92/34/61/904923461.db2.gz BULPAXDQTAJRGO-XMMPIXPASA-N 2 2 398.595 3.548 20 0 GHADLP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)CC1(C)C ZINC001171636163 904923469 /nfs/dbraw/zinc/92/34/69/904923469.db2.gz BULPAXDQTAJRGO-XMMPIXPASA-N 2 2 398.595 3.548 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCN(c4cc[nH+]cc4)CC2)C3)cc1 ZINC001172079058 905290871 /nfs/dbraw/zinc/29/08/71/905290871.db2.gz KYVIWANBOJENHX-BKFWDETESA-N 3 2 376.548 3.789 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCN(c4cc[nH+]cc4)CC2)C3)cc1 ZINC001172079058 905290886 /nfs/dbraw/zinc/29/08/86/905290886.db2.gz KYVIWANBOJENHX-BKFWDETESA-N 3 2 376.548 3.789 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1c(F)c(F)cc(Br)c1F)C2 ZINC001172098408 905320315 /nfs/dbraw/zinc/32/03/15/905320315.db2.gz DIKVITSWGOIULF-JGPRNRPPSA-N 2 2 377.248 3.971 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1c(F)c(F)cc(Br)c1F)C2 ZINC001172098408 905320325 /nfs/dbraw/zinc/32/03/25/905320325.db2.gz DIKVITSWGOIULF-JGPRNRPPSA-N 2 2 377.248 3.971 20 0 GHADLP CCOc1ccc([C@@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172063030 905325884 /nfs/dbraw/zinc/32/58/84/905325884.db2.gz VONHKGXWDZIOPN-BXXSPATCSA-N 2 2 395.547 3.689 20 0 GHADLP CCOc1ccc([C@@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172063030 905325904 /nfs/dbraw/zinc/32/59/04/905325904.db2.gz VONHKGXWDZIOPN-BXXSPATCSA-N 2 2 395.547 3.689 20 0 GHADLP CC(C)C[C@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCN1C(=O)OC(C)(C)C ZINC001172125890 905341267 /nfs/dbraw/zinc/34/12/67/905341267.db2.gz RIDUNYYEIUXMBH-NMLBUPMWSA-N 2 2 379.589 3.969 20 0 GHADLP CC(C)C[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCN1C(=O)OC(C)(C)C ZINC001172125890 905341282 /nfs/dbraw/zinc/34/12/82/905341282.db2.gz RIDUNYYEIUXMBH-NMLBUPMWSA-N 2 2 379.589 3.969 20 0 GHADLP CC(C)C[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN1C(=O)OC(C)(C)C ZINC001172125890 905341296 /nfs/dbraw/zinc/34/12/96/905341296.db2.gz RIDUNYYEIUXMBH-NMLBUPMWSA-N 2 2 379.589 3.969 20 0 GHADLP CC(C)C[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN1C(=O)OC(C)(C)C ZINC001172125890 905341314 /nfs/dbraw/zinc/34/13/14/905341314.db2.gz RIDUNYYEIUXMBH-NMLBUPMWSA-N 2 2 379.589 3.969 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000174868417 905378535 /nfs/dbraw/zinc/37/85/35/905378535.db2.gz REUCHQRPIBUMSL-UHFFFAOYSA-N 2 2 395.551 3.914 20 0 GHADLP CC[C@@H](C)OCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC001172337716 905503806 /nfs/dbraw/zinc/50/38/06/905503806.db2.gz QTNNHYNTIDTDPN-QZTJIDSGSA-N 2 2 376.541 3.621 20 0 GHADLP CCCCCC[C@H](CCC)[N@@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001172387607 905546116 /nfs/dbraw/zinc/54/61/16/905546116.db2.gz SHACMRCVPJTBDP-NRFANRHFSA-N 2 2 375.605 3.585 20 0 GHADLP CCCCCC[C@H](CCC)[N@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001172387607 905546131 /nfs/dbraw/zinc/54/61/31/905546131.db2.gz SHACMRCVPJTBDP-NRFANRHFSA-N 2 2 375.605 3.585 20 0 GHADLP CC(C)COCC[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001172481401 905557963 /nfs/dbraw/zinc/55/79/63/905557963.db2.gz RVEHNDPEPNDINX-MOPGFXCFSA-N 2 2 397.604 3.501 20 0 GHADLP CC(C)COCC[C@@H](C)[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001172481401 905557971 /nfs/dbraw/zinc/55/79/71/905557971.db2.gz RVEHNDPEPNDINX-MOPGFXCFSA-N 2 2 397.604 3.501 20 0 GHADLP [NH3+]C1(C(=O)NCc2ccccc2)CC[NH+]([C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172536778 905641852 /nfs/dbraw/zinc/64/18/52/905641852.db2.gz LDCGGFATPJUACZ-PKTZIBPZSA-N 2 2 391.559 3.823 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([N@@H+]2CC[C@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172581066 905681157 /nfs/dbraw/zinc/68/11/57/905681157.db2.gz OVUMJLCOBWMOIE-YQVWRLOYSA-N 2 2 377.504 3.608 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([N@H+]2CC[C@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172581066 905681161 /nfs/dbraw/zinc/68/11/61/905681161.db2.gz OVUMJLCOBWMOIE-YQVWRLOYSA-N 2 2 377.504 3.608 20 0 GHADLP Cc1ccc2c(c1)C[C@H](N(c1cccc[nH+]1)[C@H]1COC3(C1)CC[NH2+]CC3)CC2 ZINC001172831115 905861686 /nfs/dbraw/zinc/86/16/86/905861686.db2.gz FSTMZYMCWHGZRF-FGZHOGPDSA-N 2 2 377.532 3.665 20 0 GHADLP Cc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CC1)C[N@H+](Cc1ccoc1)CCO3)CC2 ZINC001172831225 905861987 /nfs/dbraw/zinc/86/19/87/905861987.db2.gz IYBYECAOPGQKBB-QHCPKHFHSA-N 2 2 380.532 3.812 20 0 GHADLP Cc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccoc1)CCO3)CC2 ZINC001172831225 905861996 /nfs/dbraw/zinc/86/19/96/905861996.db2.gz IYBYECAOPGQKBB-QHCPKHFHSA-N 2 2 380.532 3.812 20 0 GHADLP COc1ccc([C@H]([NH3+])[C@@H]([NH2+][C@H]2CCC[C@@H](OC)C2)c2ccc(OC)cc2)cc1 ZINC001172924438 905995231 /nfs/dbraw/zinc/99/52/31/905995231.db2.gz UVTJBZFVGZPNMN-AWDZXFJFSA-N 2 2 384.520 3.992 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177373910 906120117 /nfs/dbraw/zinc/12/01/17/906120117.db2.gz HGPYKCLLLPYYLN-UHFFFAOYSA-N 2 2 399.583 3.668 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](C2CCC4(CCOCC4)CC2)CC3)n1 ZINC001173048307 906121191 /nfs/dbraw/zinc/12/11/91/906121191.db2.gz SUUBZQMREIMYHX-UHFFFAOYSA-N 2 2 386.584 3.590 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](C2CCC4(CCOCC4)CC2)CC3)n1 ZINC001173048307 906121202 /nfs/dbraw/zinc/12/12/02/906121202.db2.gz SUUBZQMREIMYHX-UHFFFAOYSA-N 2 2 386.584 3.590 20 0 GHADLP Cc1[nH+]cn(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1CSCC[NH3+] ZINC001173411902 906439326 /nfs/dbraw/zinc/43/93/26/906439326.db2.gz IUXZQHQHADEBST-UHFFFAOYSA-N 2 2 392.956 3.514 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001173425266 906461620 /nfs/dbraw/zinc/46/16/20/906461620.db2.gz VGYOJKSOVZCUJL-FQEVSTJZSA-N 2 2 399.922 3.801 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001173425266 906461631 /nfs/dbraw/zinc/46/16/31/906461631.db2.gz VGYOJKSOVZCUJL-FQEVSTJZSA-N 2 2 399.922 3.801 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001173663884 906601858 /nfs/dbraw/zinc/60/18/58/906601858.db2.gz JCWKWQXBNPFAEG-NQIIRXRSSA-N 2 2 376.516 3.844 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001173663884 906601864 /nfs/dbraw/zinc/60/18/64/906601864.db2.gz JCWKWQXBNPFAEG-NQIIRXRSSA-N 2 2 376.516 3.844 20 0 GHADLP Nc1[nH+]cnc2c1c(-c1cc3ccnc-3n(-c3cc[nH+]cc3)c1)nn2C1CCCC1 ZINC001173881521 906744588 /nfs/dbraw/zinc/74/45/88/906744588.db2.gz WZTIANGWSXBIBR-UHFFFAOYSA-N 2 2 396.458 3.876 20 0 GHADLP CCOc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000629653756 906930872 /nfs/dbraw/zinc/93/08/72/906930872.db2.gz GDSONCAKJIAAPA-CHWSQXEVSA-N 2 2 382.373 3.646 20 0 GHADLP CCOc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000629653756 906930886 /nfs/dbraw/zinc/93/08/86/906930886.db2.gz GDSONCAKJIAAPA-CHWSQXEVSA-N 2 2 382.373 3.646 20 0 GHADLP COCCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000181380202 906985293 /nfs/dbraw/zinc/98/52/93/906985293.db2.gz VRDLHOULAIZZSF-QGZVFWFLSA-N 2 2 387.593 3.998 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181589207 907033110 /nfs/dbraw/zinc/03/31/10/907033110.db2.gz NRVLPBMURDPHCC-UXHICEINSA-N 3 2 396.579 3.898 20 0 GHADLP C[NH+](C)CCN1C(=O)c2cccc3cc(Nc4cc[nH+]c5[nH]ccc54)cc(c32)C1=O ZINC001174412692 907044887 /nfs/dbraw/zinc/04/48/87/907044887.db2.gz CMACUPHLMCEBKE-UHFFFAOYSA-N 2 2 399.454 3.569 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000366068085 921300612 /nfs/dbraw/zinc/30/06/12/921300612.db2.gz LBZXEDLVBXCTGU-SFHVURJKSA-N 2 2 381.520 3.817 20 0 GHADLP COc1ccc(C(C)C)cc1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001175017098 907325794 /nfs/dbraw/zinc/32/57/94/907325794.db2.gz YLZAUFDVHWYZKI-DEOSSOPVSA-N 2 2 382.548 3.887 20 0 GHADLP COc1ccc(C(C)C)cc1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001175017098 907325807 /nfs/dbraw/zinc/32/58/07/907325807.db2.gz YLZAUFDVHWYZKI-DEOSSOPVSA-N 2 2 382.548 3.887 20 0 GHADLP COc1ccc(C(C)C)cc1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001175017098 907325824 /nfs/dbraw/zinc/32/58/24/907325824.db2.gz YLZAUFDVHWYZKI-DEOSSOPVSA-N 2 2 382.548 3.887 20 0 GHADLP COc1ccc(C(C)C)cc1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001175017098 907325842 /nfs/dbraw/zinc/32/58/42/907325842.db2.gz YLZAUFDVHWYZKI-DEOSSOPVSA-N 2 2 382.548 3.887 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(-c3cnn(C)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000185020235 907697407 /nfs/dbraw/zinc/69/74/07/907697407.db2.gz NGXIMHKWINMJKM-PXNSSMCTSA-N 2 2 379.508 3.560 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(-c3cnn(C)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC000185020235 907697411 /nfs/dbraw/zinc/69/74/11/907697411.db2.gz NGXIMHKWINMJKM-PXNSSMCTSA-N 2 2 379.508 3.560 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(-c3cnn(C)c3)no2)CC[NH+]1Cc1ccccc1 ZINC000185020235 907697414 /nfs/dbraw/zinc/69/74/14/907697414.db2.gz NGXIMHKWINMJKM-PXNSSMCTSA-N 2 2 379.508 3.560 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(-c3cnn(C)c3)no2)CC[NH+]1Cc1ccccc1 ZINC000185020235 907697433 /nfs/dbraw/zinc/69/74/33/907697433.db2.gz NGXIMHKWINMJKM-PXNSSMCTSA-N 2 2 379.508 3.560 20 0 GHADLP COc1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)ccc1OCC[NH+]1CCCC1 ZINC001175716523 907700413 /nfs/dbraw/zinc/70/04/13/907700413.db2.gz NEMLUJJWFLYKLG-UHFFFAOYSA-N 2 2 396.413 3.909 20 0 GHADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](Cc2ccc(-c3cccs3)cc2)CC1 ZINC001175758048 907730550 /nfs/dbraw/zinc/73/05/50/907730550.db2.gz JXMBMZBBVJDVLQ-UHFFFAOYSA-N 2 2 383.561 3.721 20 0 GHADLP Fc1cc([C@@H]2OCC[C@H]2[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1Cl ZINC000631654122 907791168 /nfs/dbraw/zinc/79/11/68/907791168.db2.gz DWTUVVQFLORAHE-QUCCMNQESA-N 2 2 375.875 3.963 20 0 GHADLP C[C@@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000631722920 907823959 /nfs/dbraw/zinc/82/39/59/907823959.db2.gz KUJZCVMWAGLCDM-QGZVFWFLSA-N 2 2 379.533 3.671 20 0 GHADLP CCC1([NH+]2CCC2)CC[NH+](C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC001176235255 907999182 /nfs/dbraw/zinc/99/91/82/907999182.db2.gz RREQJAXBEYXHNK-GOSISDBHSA-N 2 2 399.348 3.746 20 0 GHADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]CC(C)(C)c2ccc(Br)cc2)C1 ZINC001177060730 908386789 /nfs/dbraw/zinc/38/67/89/908386789.db2.gz AUCAAEKDKFXSDY-GOSISDBHSA-N 2 2 383.374 3.673 20 0 GHADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]CC(C)(C)c2ccc(Br)cc2)C1 ZINC001177060730 908386797 /nfs/dbraw/zinc/38/67/97/908386797.db2.gz AUCAAEKDKFXSDY-GOSISDBHSA-N 2 2 383.374 3.673 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000191508140 908634507 /nfs/dbraw/zinc/63/45/07/908634507.db2.gz AQEQGUYBAIRXNS-AWEZNQCLSA-N 2 2 387.553 3.834 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000191508140 908634513 /nfs/dbraw/zinc/63/45/13/908634513.db2.gz AQEQGUYBAIRXNS-AWEZNQCLSA-N 2 2 387.553 3.834 20 0 GHADLP FC(F)(F)c1ccccc1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001177548581 908639300 /nfs/dbraw/zinc/63/93/00/908639300.db2.gz KOTASQAUZJHFFG-UHFFFAOYSA-N 2 2 394.437 3.706 20 0 GHADLP CC(C)COc1ccccc1C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001177636962 908683820 /nfs/dbraw/zinc/68/38/20/908683820.db2.gz HZZXDJAAXIOFCJ-UHFFFAOYSA-N 2 2 381.564 3.759 20 0 GHADLP OCC1CC[NH+](Cc2cccc(NCc3cc(-n4cc[nH+]c4)cs3)c2)CC1 ZINC001177999457 908841656 /nfs/dbraw/zinc/84/16/56/908841656.db2.gz IIQAYFNOFRZBIJ-UHFFFAOYSA-N 2 2 382.533 3.750 20 0 GHADLP CC(=O)c1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000194408328 908942451 /nfs/dbraw/zinc/94/24/51/908942451.db2.gz RTIHUXRBTQGVHZ-GOTSBHOMSA-N 2 2 399.579 3.607 20 0 GHADLP CC(=O)c1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000194408328 908942467 /nfs/dbraw/zinc/94/24/67/908942467.db2.gz RTIHUXRBTQGVHZ-GOTSBHOMSA-N 2 2 399.579 3.607 20 0 GHADLP CC(=O)c1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000194408349 908942684 /nfs/dbraw/zinc/94/26/84/908942684.db2.gz RTIHUXRBTQGVHZ-PKTZIBPZSA-N 2 2 399.579 3.607 20 0 GHADLP CC(=O)c1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000194408349 908942694 /nfs/dbraw/zinc/94/26/94/908942694.db2.gz RTIHUXRBTQGVHZ-PKTZIBPZSA-N 2 2 399.579 3.607 20 0 GHADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000718031640 909078351 /nfs/dbraw/zinc/07/83/51/909078351.db2.gz HBUWYYVAOKNCRF-UWJYYQICSA-N 2 2 387.568 3.742 20 0 GHADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000718031640 909078365 /nfs/dbraw/zinc/07/83/65/909078365.db2.gz HBUWYYVAOKNCRF-UWJYYQICSA-N 2 2 387.568 3.742 20 0 GHADLP C[C@H]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000266336958 909085650 /nfs/dbraw/zinc/08/56/50/909085650.db2.gz LEBNGSLVYCEMFW-FQEVSTJZSA-N 2 2 388.515 3.668 20 0 GHADLP C[C@H]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000266336958 909085665 /nfs/dbraw/zinc/08/56/65/909085665.db2.gz LEBNGSLVYCEMFW-FQEVSTJZSA-N 2 2 388.515 3.668 20 0 GHADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC000266493951 909193433 /nfs/dbraw/zinc/19/34/33/909193433.db2.gz AKKWIZZTENPZEN-QGZVFWFLSA-N 2 2 398.576 3.775 20 0 GHADLP CC(C)C[C@@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)n1cc[nH+]c1 ZINC000635281231 909201604 /nfs/dbraw/zinc/20/16/04/909201604.db2.gz WIPBOALTBWFIOT-PMACEKPBSA-N 2 2 396.535 3.575 20 0 GHADLP OC[C@H]([NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1ccc(F)cc1 ZINC001178791052 909229166 /nfs/dbraw/zinc/22/91/66/909229166.db2.gz OGBKTPWIVWKPLU-IBGZPJMESA-N 2 2 389.858 3.578 20 0 GHADLP OC[C@@H]([NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1ccc(F)cc1 ZINC001178791053 909229803 /nfs/dbraw/zinc/22/98/03/909229803.db2.gz OGBKTPWIVWKPLU-LJQANCHMSA-N 2 2 389.858 3.578 20 0 GHADLP COc1cccc(-c2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cs2)c1OC ZINC000266759199 909290696 /nfs/dbraw/zinc/29/06/96/909290696.db2.gz PSSCXVKXAACODG-UHFFFAOYSA-N 2 2 384.505 3.930 20 0 GHADLP O[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1Br ZINC001178944838 909329247 /nfs/dbraw/zinc/32/92/47/909329247.db2.gz JUWIYGCQSXGELP-MRXNPFEDSA-N 2 2 378.295 3.520 20 0 GHADLP Brc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000266949946 909346842 /nfs/dbraw/zinc/34/68/42/909346842.db2.gz UBCFWQVFFMRMQN-LBPRGKRZSA-N 2 2 388.269 3.602 20 0 GHADLP Brc1ccccc1-c1nnc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000266949946 909346857 /nfs/dbraw/zinc/34/68/57/909346857.db2.gz UBCFWQVFFMRMQN-LBPRGKRZSA-N 2 2 388.269 3.602 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c2c1OC(F)(F)O2 ZINC001178998949 909352242 /nfs/dbraw/zinc/35/22/42/909352242.db2.gz UPRYNUJTSGBTAB-VQIMIIECSA-N 2 2 378.394 3.797 20 0 GHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001179950302 909824156 /nfs/dbraw/zinc/82/41/56/909824156.db2.gz DATFBEJIAOQARA-YLJOHRSJSA-N 2 2 377.573 3.723 20 0 GHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001179950302 909824177 /nfs/dbraw/zinc/82/41/77/909824177.db2.gz DATFBEJIAOQARA-YLJOHRSJSA-N 2 2 377.573 3.723 20 0 GHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001179950302 909824211 /nfs/dbraw/zinc/82/42/11/909824211.db2.gz DATFBEJIAOQARA-YLJOHRSJSA-N 2 2 377.573 3.723 20 0 GHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001179950302 909824225 /nfs/dbraw/zinc/82/42/25/909824225.db2.gz DATFBEJIAOQARA-YLJOHRSJSA-N 2 2 377.573 3.723 20 0 GHADLP CN(c1ccccc1C[NH2+]Cc1nnc(C(C)(C)C)s1)C1CC[NH+](C)CC1 ZINC000268321651 909832611 /nfs/dbraw/zinc/83/26/11/909832611.db2.gz FRNPGLTYMUQTOM-UHFFFAOYSA-N 2 2 387.597 3.656 20 0 GHADLP COc1cc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc(OC)c1OC ZINC000268741990 909993065 /nfs/dbraw/zinc/99/30/65/909993065.db2.gz DGBBGWRBBKOABK-MRXNPFEDSA-N 2 2 381.476 3.808 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000269136116 910157236 /nfs/dbraw/zinc/15/72/36/910157236.db2.gz MQESFYMRZOGPMJ-UHFFFAOYSA-N 2 2 388.890 3.767 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000269136116 910157248 /nfs/dbraw/zinc/15/72/48/910157248.db2.gz MQESFYMRZOGPMJ-UHFFFAOYSA-N 2 2 388.890 3.767 20 0 GHADLP CCOc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)ccc1OC ZINC000269141527 910159148 /nfs/dbraw/zinc/15/91/48/910159148.db2.gz MOCWALLOZWNLKU-UHFFFAOYSA-N 2 2 384.524 3.631 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]CCCNc2cccc[nH+]2)cs1)c1ccccc1 ZINC000638873799 910260789 /nfs/dbraw/zinc/26/07/89/910260789.db2.gz LPAGOYVEKGJSKW-UHFFFAOYSA-N 2 2 381.505 3.815 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000246520093 910350136 /nfs/dbraw/zinc/35/01/36/910350136.db2.gz UPXPMYOXGAFELL-YSGRDPCXSA-N 2 2 393.453 3.634 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000246520093 910350155 /nfs/dbraw/zinc/35/01/55/910350155.db2.gz UPXPMYOXGAFELL-YSGRDPCXSA-N 2 2 393.453 3.634 20 0 GHADLP CCN(c1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1)C(C)C ZINC000246533664 910359828 /nfs/dbraw/zinc/35/98/28/910359828.db2.gz JYHZRLOHSTWXFX-NQIIRXRSSA-N 2 2 383.540 3.639 20 0 GHADLP CCN(c1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1)C(C)C ZINC000246533664 910359847 /nfs/dbraw/zinc/35/98/47/910359847.db2.gz JYHZRLOHSTWXFX-NQIIRXRSSA-N 2 2 383.540 3.639 20 0 GHADLP Fc1ccc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)cc1C[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639776773 910658139 /nfs/dbraw/zinc/65/81/39/910658139.db2.gz FRNJAKCMDPBNNG-VXKWHMMOSA-N 2 2 394.498 3.946 20 0 GHADLP Fc1ccc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)cc1C[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639776773 910658142 /nfs/dbraw/zinc/65/81/42/910658142.db2.gz FRNJAKCMDPBNNG-VXKWHMMOSA-N 2 2 394.498 3.946 20 0 GHADLP Fc1ccc(C[NH+]2CCC[C@H]2c2cn[nH]c2)cc1C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639776773 910658143 /nfs/dbraw/zinc/65/81/43/910658143.db2.gz FRNJAKCMDPBNNG-VXKWHMMOSA-N 2 2 394.498 3.946 20 0 GHADLP Fc1ccc(C[NH+]2CCC[C@H]2c2cn[nH]c2)cc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639776773 910658144 /nfs/dbraw/zinc/65/81/44/910658144.db2.gz FRNJAKCMDPBNNG-VXKWHMMOSA-N 2 2 394.498 3.946 20 0 GHADLP CC[N@H+](CCC[NH+](C)C)Cc1cn(-c2ccccc2Br)nc1C ZINC001181504948 910806502 /nfs/dbraw/zinc/80/65/02/910806502.db2.gz BFFDDOMNLGANKR-UHFFFAOYSA-N 2 2 379.346 3.717 20 0 GHADLP CC[N@@H+](CCC[NH+](C)C)Cc1cn(-c2ccccc2Br)nc1C ZINC001181504948 910806514 /nfs/dbraw/zinc/80/65/14/910806514.db2.gz BFFDDOMNLGANKR-UHFFFAOYSA-N 2 2 379.346 3.717 20 0 GHADLP Cc1sccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000640466058 911035413 /nfs/dbraw/zinc/03/54/13/911035413.db2.gz VMLLHVRZVQDKPJ-MOPGFXCFSA-N 2 2 378.586 3.857 20 0 GHADLP Cc1sccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000640466058 911035431 /nfs/dbraw/zinc/03/54/31/911035431.db2.gz VMLLHVRZVQDKPJ-MOPGFXCFSA-N 2 2 378.586 3.857 20 0 GHADLP COC(=O)[C@@H](C)Oc1ccc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)cc1 ZINC001182020510 911155737 /nfs/dbraw/zinc/15/57/37/911155737.db2.gz LCEFOMFBGPVHTQ-OAHLLOKOSA-N 2 2 399.878 3.756 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001182634385 911911080 /nfs/dbraw/zinc/91/10/80/911911080.db2.gz LLBIABCAEWQRPU-JLSDUUJJSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001182634385 911911086 /nfs/dbraw/zinc/91/10/86/911911086.db2.gz LLBIABCAEWQRPU-JLSDUUJJSA-N 2 2 394.357 3.773 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1 ZINC000642437401 912074338 /nfs/dbraw/zinc/07/43/38/912074338.db2.gz VSRSLSSOCMKSRM-SFHVURJKSA-N 2 2 387.553 3.553 20 0 GHADLP Nc1cc[nH+]c(-c2cc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)ccn2)c1 ZINC001186917054 914899409 /nfs/dbraw/zinc/89/94/09/914899409.db2.gz VPPSHWMKDZQJCE-UHFFFAOYSA-N 2 2 387.487 3.964 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000291293427 915084982 /nfs/dbraw/zinc/08/49/82/915084982.db2.gz JBYKNIOMHQBWIM-UWJYYQICSA-N 2 2 393.535 3.977 20 0 GHADLP CC(C)C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccncc1 ZINC000647286055 915135126 /nfs/dbraw/zinc/13/51/26/915135126.db2.gz FGYISHRJNZRCPN-JOCHJYFZSA-N 2 2 383.536 3.670 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000647344374 915166805 /nfs/dbraw/zinc/16/68/05/915166805.db2.gz PFNCKRLDXYGPHT-WQDFSMHNSA-N 3 2 377.576 3.832 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000647344374 915166812 /nfs/dbraw/zinc/16/68/12/915166812.db2.gz PFNCKRLDXYGPHT-WQDFSMHNSA-N 3 2 377.576 3.832 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344374 915166815 /nfs/dbraw/zinc/16/68/15/915166815.db2.gz PFNCKRLDXYGPHT-WQDFSMHNSA-N 3 2 377.576 3.832 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344374 915166821 /nfs/dbraw/zinc/16/68/21/915166821.db2.gz PFNCKRLDXYGPHT-WQDFSMHNSA-N 3 2 377.576 3.832 20 0 GHADLP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000647490863 915303286 /nfs/dbraw/zinc/30/32/86/915303286.db2.gz WFDSUAHWDJPGEF-QGZVFWFLSA-N 2 2 375.310 3.809 20 0 GHADLP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000647490863 915303305 /nfs/dbraw/zinc/30/33/05/915303305.db2.gz WFDSUAHWDJPGEF-QGZVFWFLSA-N 2 2 375.310 3.809 20 0 GHADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000647956627 915453890 /nfs/dbraw/zinc/45/38/90/915453890.db2.gz QYZWJXDSYSVWNL-QUCCMNQESA-N 2 2 396.362 3.732 20 0 GHADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000647956627 915453901 /nfs/dbraw/zinc/45/39/01/915453901.db2.gz QYZWJXDSYSVWNL-QUCCMNQESA-N 2 2 396.362 3.732 20 0 GHADLP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000648031537 915489944 /nfs/dbraw/zinc/48/99/44/915489944.db2.gz VLMAILFCSBZBBM-QGZVFWFLSA-N 2 2 379.508 3.901 20 0 GHADLP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000648031537 915489950 /nfs/dbraw/zinc/48/99/50/915489950.db2.gz VLMAILFCSBZBBM-QGZVFWFLSA-N 2 2 379.508 3.901 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CCC1 ZINC000648725207 915838856 /nfs/dbraw/zinc/83/88/56/915838856.db2.gz MUJLLLMMCAGIOX-UHFFFAOYSA-N 2 2 377.532 3.723 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CCC1 ZINC000648725207 915838873 /nfs/dbraw/zinc/83/88/73/915838873.db2.gz MUJLLLMMCAGIOX-UHFFFAOYSA-N 2 2 377.532 3.723 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000648739060 915850400 /nfs/dbraw/zinc/85/04/00/915850400.db2.gz WDALTDSRJOLWDM-KURKYZTESA-N 2 2 384.524 3.645 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000648739060 915850419 /nfs/dbraw/zinc/85/04/19/915850419.db2.gz WDALTDSRJOLWDM-KURKYZTESA-N 2 2 384.524 3.645 20 0 GHADLP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H](c3nnc[nH]3)C3CCCCC3)cc2)CC1 ZINC000293632557 916301447 /nfs/dbraw/zinc/30/14/47/916301447.db2.gz KGTQIFMTAACAJR-OAQYLSRUSA-N 2 2 383.540 3.689 20 0 GHADLP COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001190596794 917439450 /nfs/dbraw/zinc/43/94/50/917439450.db2.gz CKUBREYFWXZDKX-HSZRJFAPSA-N 2 2 380.532 3.735 20 0 GHADLP COc1ccccc1C[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001190596794 917439460 /nfs/dbraw/zinc/43/94/60/917439460.db2.gz CKUBREYFWXZDKX-HSZRJFAPSA-N 2 2 380.532 3.735 20 0 GHADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1C ZINC001190643433 917471573 /nfs/dbraw/zinc/47/15/73/917471573.db2.gz LPUMSIBYPJDVIF-QHCPKHFHSA-N 2 2 378.564 3.733 20 0 GHADLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1C ZINC001190643433 917471582 /nfs/dbraw/zinc/47/15/82/917471582.db2.gz LPUMSIBYPJDVIF-QHCPKHFHSA-N 2 2 378.564 3.733 20 0 GHADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652139124 917812810 /nfs/dbraw/zinc/81/28/10/917812810.db2.gz ALSIMOGPHJDOQC-SFHVURJKSA-N 2 2 385.508 3.817 20 0 GHADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@H]1CC[NH3+] ZINC000652353576 917879479 /nfs/dbraw/zinc/87/94/79/917879479.db2.gz RUCGFJFAMJVDIU-ABAIWWIYSA-N 2 2 377.838 3.747 20 0 GHADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@H]1CC[NH3+] ZINC000652353576 917879488 /nfs/dbraw/zinc/87/94/88/917879488.db2.gz RUCGFJFAMJVDIU-ABAIWWIYSA-N 2 2 377.838 3.747 20 0 GHADLP CN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297419721 919318684 /nfs/dbraw/zinc/31/86/84/919318684.db2.gz YXPLFNWWDDGOHE-XZOQPEGZSA-N 2 2 398.595 3.523 20 0 GHADLP COc1ccccc1-c1csc([C@@H]2CCC[N@H+](CCc3c[nH+]cn3C)C2)n1 ZINC000297761899 919739140 /nfs/dbraw/zinc/73/91/40/919739140.db2.gz UYDWPXBCOAVTII-MRXNPFEDSA-N 2 2 382.533 3.974 20 0 GHADLP COc1ccccc1-c1csc([C@@H]2CCC[N@@H+](CCc3c[nH+]cn3C)C2)n1 ZINC000297761899 919739147 /nfs/dbraw/zinc/73/91/47/919739147.db2.gz UYDWPXBCOAVTII-MRXNPFEDSA-N 2 2 382.533 3.974 20 0 GHADLP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000364727089 919911356 /nfs/dbraw/zinc/91/13/56/919911356.db2.gz KIVMPCTUSPRTHT-LJQANCHMSA-N 2 2 394.563 3.871 20 0 GHADLP CCOc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc(Br)c1O ZINC000297880337 919915548 /nfs/dbraw/zinc/91/55/48/919915548.db2.gz QIVWDKOTYIFIGB-UHFFFAOYSA-N 2 2 380.286 3.656 20 0 GHADLP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365642299 921041542 /nfs/dbraw/zinc/04/15/42/921041542.db2.gz WBJKIXPEOURDKJ-QGZVFWFLSA-N 2 2 394.475 3.631 20 0 GHADLP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365642299 921041553 /nfs/dbraw/zinc/04/15/53/921041553.db2.gz WBJKIXPEOURDKJ-QGZVFWFLSA-N 2 2 394.475 3.631 20 0 GHADLP C[C@H](C[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)NC(=O)OC(C)(C)C ZINC000367395415 922080563 /nfs/dbraw/zinc/08/05/63/922080563.db2.gz BJTGCLZODWWEBU-RCCFBDPRSA-N 2 2 390.572 3.888 20 0 GHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000368573906 922752748 /nfs/dbraw/zinc/75/27/48/922752748.db2.gz IFNOTQGKYFMBKD-ZCGYKAAXSA-N 2 2 393.457 3.723 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C[N@@H+]1Cc1ccccc1 ZINC000677114429 924242789 /nfs/dbraw/zinc/24/27/89/924242789.db2.gz KJHOVRCUPDTYHV-BAGYTPMASA-N 2 2 395.551 3.530 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C[N@H+]1Cc1ccccc1 ZINC000677114429 924242795 /nfs/dbraw/zinc/24/27/95/924242795.db2.gz KJHOVRCUPDTYHV-BAGYTPMASA-N 2 2 395.551 3.530 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1coc(-c2ccccc2)n1 ZINC000371161159 924454562 /nfs/dbraw/zinc/45/45/62/924454562.db2.gz TYHJSXWQMWQQAA-UHFFFAOYSA-N 3 2 396.579 3.970 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1coc(-c2ccccc2)n1 ZINC000371161159 924454572 /nfs/dbraw/zinc/45/45/72/924454572.db2.gz TYHJSXWQMWQQAA-UHFFFAOYSA-N 3 2 396.579 3.970 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)o1 ZINC000677715999 924465312 /nfs/dbraw/zinc/46/53/12/924465312.db2.gz HTVCVSZOASEQPZ-QUCCMNQESA-N 2 2 389.927 3.950 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)o1 ZINC000677715999 924465318 /nfs/dbraw/zinc/46/53/18/924465318.db2.gz HTVCVSZOASEQPZ-QUCCMNQESA-N 2 2 389.927 3.950 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000677749957 924477308 /nfs/dbraw/zinc/47/73/08/924477308.db2.gz WOIWSMAUWIBRHK-OAQYLSRUSA-N 2 2 383.580 3.810 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000677749957 924477313 /nfs/dbraw/zinc/47/73/13/924477313.db2.gz WOIWSMAUWIBRHK-OAQYLSRUSA-N 2 2 383.580 3.810 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000677750336 924477415 /nfs/dbraw/zinc/47/74/15/924477415.db2.gz BNPGUENHQWUORN-GOTSBHOMSA-N 2 2 391.559 3.678 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC000677750336 924477421 /nfs/dbraw/zinc/47/74/21/924477421.db2.gz BNPGUENHQWUORN-GOTSBHOMSA-N 2 2 391.559 3.678 20 0 GHADLP CC(C)Cc1ccc([C@H](C)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677767531 924488417 /nfs/dbraw/zinc/48/84/17/924488417.db2.gz YDXSALMQTOTZCZ-CVDCTZTESA-N 2 2 385.596 3.616 20 0 GHADLP CC(C)Cc1ccc([C@H](C)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677767531 924488420 /nfs/dbraw/zinc/48/84/20/924488420.db2.gz YDXSALMQTOTZCZ-CVDCTZTESA-N 2 2 385.596 3.616 20 0 GHADLP C[C@@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000677804584 924503933 /nfs/dbraw/zinc/50/39/33/924503933.db2.gz HDLCLMPXMJSFFP-WIYYLYMNSA-N 2 2 375.520 3.971 20 0 GHADLP C[C@@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000677804584 924504093 /nfs/dbraw/zinc/50/40/93/924504093.db2.gz HDLCLMPXMJSFFP-WIYYLYMNSA-N 2 2 375.520 3.971 20 0 GHADLP COc1cccc([C@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCO2)c1 ZINC000678237595 924682292 /nfs/dbraw/zinc/68/22/92/924682292.db2.gz ZQBSUABFAYIWPL-XMMPIXPASA-N 2 2 396.531 3.743 20 0 GHADLP COc1cccc([C@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCO2)c1 ZINC000678237595 924682295 /nfs/dbraw/zinc/68/22/95/924682295.db2.gz ZQBSUABFAYIWPL-XMMPIXPASA-N 2 2 396.531 3.743 20 0 GHADLP CC[N@H+](Cc1ccc(N(C)C)nc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000678265155 924696163 /nfs/dbraw/zinc/69/61/63/924696163.db2.gz YJTIBWKJNWLNQR-UHFFFAOYSA-N 2 2 396.583 3.860 20 0 GHADLP CC[N@@H+](Cc1ccc(N(C)C)nc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000678265155 924696167 /nfs/dbraw/zinc/69/61/67/924696167.db2.gz YJTIBWKJNWLNQR-UHFFFAOYSA-N 2 2 396.583 3.860 20 0 GHADLP CC(C)Oc1ncccc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000678359235 924741563 /nfs/dbraw/zinc/74/15/63/924741563.db2.gz XFGPDRCLOJMFCQ-UHFFFAOYSA-N 2 2 388.943 3.564 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)c(C)c1 ZINC000678603964 924837479 /nfs/dbraw/zinc/83/74/79/924837479.db2.gz RBUVNFGWLAQDEE-AVRDEDQJSA-N 2 2 387.491 3.568 20 0 GHADLP CCC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(C)cc1 ZINC000679636448 925205390 /nfs/dbraw/zinc/20/53/90/925205390.db2.gz USKNXNJPZDRVGU-UHFFFAOYSA-N 2 2 395.547 3.678 20 0 GHADLP CCC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(C)cc1 ZINC000679636448 925205397 /nfs/dbraw/zinc/20/53/97/925205397.db2.gz USKNXNJPZDRVGU-UHFFFAOYSA-N 2 2 395.547 3.678 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2csc(-c3cnn(C)c3)n2)cc1 ZINC000679825067 925276411 /nfs/dbraw/zinc/27/64/11/925276411.db2.gz ZUXTXVRFEUUWET-AWEZNQCLSA-N 2 2 378.505 3.889 20 0 GHADLP CN(C(=O)N[C@H](c1ccccc1)C1CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681210026 925762737 /nfs/dbraw/zinc/76/27/37/925762737.db2.gz BQNYBMZAZKQMQV-XZOQPEGZSA-N 2 2 398.595 3.728 20 0 GHADLP CN(C(=O)N[C@H](c1ccccc1)C1CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681210026 925762746 /nfs/dbraw/zinc/76/27/46/925762746.db2.gz BQNYBMZAZKQMQV-XZOQPEGZSA-N 2 2 398.595 3.728 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)cn1 ZINC000373142142 925886411 /nfs/dbraw/zinc/88/64/11/925886411.db2.gz YPVGXEVVKKKQAQ-HXUWFJFHSA-N 2 2 377.448 3.909 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccc(OC)cc3)no2)[C@H](C)C1 ZINC000682535933 926156350 /nfs/dbraw/zinc/15/63/50/926156350.db2.gz MGDFHZNZTXJFFW-DYESRHJHSA-N 2 2 387.524 3.577 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccc(OC)cc3)no2)[C@H](C)C1 ZINC000682535933 926156354 /nfs/dbraw/zinc/15/63/54/926156354.db2.gz MGDFHZNZTXJFFW-DYESRHJHSA-N 2 2 387.524 3.577 20 0 GHADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c2ccccc2C1 ZINC000373463766 926158591 /nfs/dbraw/zinc/15/85/91/926158591.db2.gz ALQQFQKWXNNGBR-DQEYMECFSA-N 2 2 391.559 3.980 20 0 GHADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c2ccccc2C1 ZINC000373463766 926158598 /nfs/dbraw/zinc/15/85/98/926158598.db2.gz ALQQFQKWXNNGBR-DQEYMECFSA-N 2 2 391.559 3.980 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1C ZINC000726248600 926609924 /nfs/dbraw/zinc/60/99/24/926609924.db2.gz ONBWCKYSNFIEPD-HXUWFJFHSA-N 2 2 396.535 3.561 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)c1C ZINC000726248600 926609933 /nfs/dbraw/zinc/60/99/33/926609933.db2.gz ONBWCKYSNFIEPD-HXUWFJFHSA-N 2 2 396.535 3.561 20 0 GHADLP C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000749590328 927205026 /nfs/dbraw/zinc/20/50/26/927205026.db2.gz PHIDDYGORJNEGW-YYWHXJBOSA-N 2 2 387.568 3.585 20 0 GHADLP C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000749590328 927205033 /nfs/dbraw/zinc/20/50/33/927205033.db2.gz PHIDDYGORJNEGW-YYWHXJBOSA-N 2 2 387.568 3.585 20 0 GHADLP Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000750386337 927595944 /nfs/dbraw/zinc/59/59/44/927595944.db2.gz DVHATRZXEQLNSR-HKUYNNGSSA-N 2 2 381.524 3.631 20 0 GHADLP Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000750386337 927595952 /nfs/dbraw/zinc/59/59/52/927595952.db2.gz DVHATRZXEQLNSR-HKUYNNGSSA-N 2 2 381.524 3.631 20 0 GHADLP O=C1[C@@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCN1c1cccc(Cl)c1 ZINC000543987736 928650376 /nfs/dbraw/zinc/65/03/76/928650376.db2.gz HCUGBSCPZBRNCH-FQEVSTJZSA-N 2 2 386.927 3.834 20 0 GHADLP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543989987 928656540 /nfs/dbraw/zinc/65/65/40/928656540.db2.gz JUNUKUWJAUVVCV-HXUWFJFHSA-N 2 2 395.469 3.998 20 0 GHADLP Fc1cncc([C@@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)C2CC2)c1 ZINC000467354675 928989259 /nfs/dbraw/zinc/98/92/59/928989259.db2.gz DMDLSJJCXSTABX-DEOSSOPVSA-N 2 2 396.554 3.859 20 0 GHADLP CCc1ccc(C[NH+]2CCN(Cc3cn(-c4cc[nH+]cc4)nc3C)CC2)s1 ZINC000544347474 929078639 /nfs/dbraw/zinc/07/86/39/929078639.db2.gz WYYVRJPAPOAZMS-UHFFFAOYSA-N 2 2 381.549 3.517 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000544349932 929080802 /nfs/dbraw/zinc/08/08/02/929080802.db2.gz SLJAGMUURPKFOH-OAQYLSRUSA-N 3 2 375.520 3.530 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000544349932 929080818 /nfs/dbraw/zinc/08/08/18/929080818.db2.gz SLJAGMUURPKFOH-OAQYLSRUSA-N 3 2 375.520 3.530 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544349932 929080830 /nfs/dbraw/zinc/08/08/30/929080830.db2.gz SLJAGMUURPKFOH-OAQYLSRUSA-N 3 2 375.520 3.530 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544349932 929080845 /nfs/dbraw/zinc/08/08/45/929080845.db2.gz SLJAGMUURPKFOH-OAQYLSRUSA-N 3 2 375.520 3.530 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000544656161 929394245 /nfs/dbraw/zinc/39/42/45/929394245.db2.gz YTWJFEBFWSTPMD-DENIHFKCSA-N 2 2 397.567 3.613 20 0 GHADLP CC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757103753 929641551 /nfs/dbraw/zinc/64/15/51/929641551.db2.gz DKMDAZHTIOIAKU-ICSRJNTNSA-N 2 2 384.524 3.998 20 0 GHADLP CC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757103753 929641555 /nfs/dbraw/zinc/64/15/55/929641555.db2.gz DKMDAZHTIOIAKU-ICSRJNTNSA-N 2 2 384.524 3.998 20 0 GHADLP CN(C(=O)c1cc(Cl)cs1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000759082435 930267533 /nfs/dbraw/zinc/26/75/33/930267533.db2.gz DHXHACDGGPLJLU-IAGOWNOFSA-N 2 2 383.989 3.811 20 0 GHADLP CN(C(=O)c1cc(Cl)cs1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000759082435 930267538 /nfs/dbraw/zinc/26/75/38/930267538.db2.gz DHXHACDGGPLJLU-IAGOWNOFSA-N 2 2 383.989 3.811 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000759746625 930473887 /nfs/dbraw/zinc/47/38/87/930473887.db2.gz GMHAHLNLYYSMCD-UHFFFAOYSA-N 2 2 377.842 3.763 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000759746625 930473894 /nfs/dbraw/zinc/47/38/94/930473894.db2.gz GMHAHLNLYYSMCD-UHFFFAOYSA-N 2 2 377.842 3.763 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@@H](C2CC2)O1 ZINC000470927117 931039638 /nfs/dbraw/zinc/03/96/38/931039638.db2.gz WHMKZTRWNQZRHB-VBVDBJQASA-N 2 2 384.564 3.685 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@@H](C2CC2)O1 ZINC000470927117 931039646 /nfs/dbraw/zinc/03/96/46/931039646.db2.gz WHMKZTRWNQZRHB-VBVDBJQASA-N 2 2 384.564 3.685 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@@H](C2CC2)O1 ZINC000470927117 931039660 /nfs/dbraw/zinc/03/96/60/931039660.db2.gz WHMKZTRWNQZRHB-VBVDBJQASA-N 2 2 384.564 3.685 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@@H](C2CC2)O1 ZINC000470927117 931039674 /nfs/dbraw/zinc/03/96/74/931039674.db2.gz WHMKZTRWNQZRHB-VBVDBJQASA-N 2 2 384.564 3.685 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H](c3ccccc3)C3CCOCC3)[nH+]c2)C1 ZINC000782775950 931333099 /nfs/dbraw/zinc/33/30/99/931333099.db2.gz KDIQVAJLBZCDKU-JTHBVZDNSA-N 2 2 380.536 3.802 20 0 GHADLP Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1 ZINC000557468820 931453091 /nfs/dbraw/zinc/45/30/91/931453091.db2.gz NKNGPIAFYKIPFX-QGZVFWFLSA-N 2 2 386.565 3.973 20 0 GHADLP CCOCOc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000783442873 931548086 /nfs/dbraw/zinc/54/80/86/931548086.db2.gz BBOZXOJEQMGPIP-UHFFFAOYSA-N 2 2 383.536 3.593 20 0 GHADLP CCOCOc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000783442873 931548091 /nfs/dbraw/zinc/54/80/91/931548091.db2.gz BBOZXOJEQMGPIP-UHFFFAOYSA-N 2 2 383.536 3.593 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c2ncnn21 ZINC000924942007 931591457 /nfs/dbraw/zinc/59/14/57/931591457.db2.gz SIEUSKGNAMPWLV-HTAPYJJXSA-N 2 2 384.487 3.986 20 0 GHADLP FCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000777566194 931829941 /nfs/dbraw/zinc/82/99/41/931829941.db2.gz KBRPGUORPLLPDJ-JOCHJYFZSA-N 2 2 382.527 3.585 20 0 GHADLP FCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000777566194 931829944 /nfs/dbraw/zinc/82/99/44/931829944.db2.gz KBRPGUORPLLPDJ-JOCHJYFZSA-N 2 2 382.527 3.585 20 0 GHADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[NH2+]CC3(CCOCC3)C1)CCS2 ZINC000925794747 931905458 /nfs/dbraw/zinc/90/54/58/931905458.db2.gz IXDVWZDIPYENQE-ZBFHGGJFSA-N 2 2 397.382 3.734 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3cc(O)cc(F)c3)CC2)cc1 ZINC000926527247 932217144 /nfs/dbraw/zinc/21/71/44/932217144.db2.gz IICZZODJSYGYDC-HNNXBMFYSA-N 2 2 385.483 3.805 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3CCCO)CC2)cc1 ZINC000926528898 932218289 /nfs/dbraw/zinc/21/82/89/932218289.db2.gz SVEGUOXGXJNYEM-NFBKMPQASA-N 2 2 387.568 3.530 20 0 GHADLP Clc1cccc(C[N@H+](CCn2cc[nH+]c2)CC2CCC3(CC2)OCCO3)c1 ZINC000797529769 932321939 /nfs/dbraw/zinc/32/19/39/932321939.db2.gz FRFZTCKWODGTCE-UHFFFAOYSA-N 2 2 389.927 3.972 20 0 GHADLP Clc1cccc(C[N@@H+](CCn2cc[nH+]c2)CC2CCC3(CC2)OCCO3)c1 ZINC000797529769 932321945 /nfs/dbraw/zinc/32/19/45/932321945.db2.gz FRFZTCKWODGTCE-UHFFFAOYSA-N 2 2 389.927 3.972 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000926925662 932350826 /nfs/dbraw/zinc/35/08/26/932350826.db2.gz DPJQINKGHFYSOU-CRAIPNDOSA-N 2 2 378.442 3.897 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000926925662 932350835 /nfs/dbraw/zinc/35/08/35/932350835.db2.gz DPJQINKGHFYSOU-CRAIPNDOSA-N 2 2 378.442 3.897 20 0 GHADLP Brc1cccc(C2CC([NH2+]C[C@@H]3CC[N@@H+]3C3CCOCC3)C2)c1 ZINC000927106255 932414329 /nfs/dbraw/zinc/41/43/29/932414329.db2.gz ORDTVKGHZJYNNI-KVWWFHCMSA-N 2 2 379.342 3.538 20 0 GHADLP Brc1cccc(C2CC([NH2+]C[C@@H]3CC[N@H+]3C3CCOCC3)C2)c1 ZINC000927106255 932414334 /nfs/dbraw/zinc/41/43/34/932414334.db2.gz ORDTVKGHZJYNNI-KVWWFHCMSA-N 2 2 379.342 3.538 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1=O ZINC000559149635 932464748 /nfs/dbraw/zinc/46/47/48/932464748.db2.gz MIVJWRBIANWVAP-AVRDEDQJSA-N 2 2 398.526 3.877 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000798271737 932584980 /nfs/dbraw/zinc/58/49/80/932584980.db2.gz JHWHWBZJXYPHNB-MRXNPFEDSA-N 2 2 393.494 3.782 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000559313065 932592786 /nfs/dbraw/zinc/59/27/86/932592786.db2.gz YYPVNYBCOLASDM-BXTJHSDWSA-N 2 2 398.378 3.977 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000559313065 932592788 /nfs/dbraw/zinc/59/27/88/932592788.db2.gz YYPVNYBCOLASDM-BXTJHSDWSA-N 2 2 398.378 3.977 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000559313065 932592793 /nfs/dbraw/zinc/59/27/93/932592793.db2.gz YYPVNYBCOLASDM-BXTJHSDWSA-N 2 2 398.378 3.977 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000559313065 932592795 /nfs/dbraw/zinc/59/27/95/932592795.db2.gz YYPVNYBCOLASDM-BXTJHSDWSA-N 2 2 398.378 3.977 20 0 GHADLP C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000559320140 932597559 /nfs/dbraw/zinc/59/75/59/932597559.db2.gz JBDKAXWORIJYOX-JTSKRJEESA-N 2 2 392.478 3.853 20 0 GHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)C[C@H]1c1ccccc1 ZINC000559738625 932828322 /nfs/dbraw/zinc/82/83/22/932828322.db2.gz CTNFHGNEBNVEPN-MSOLQXFVSA-N 2 2 379.426 3.948 20 0 GHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)C[C@H]1c1ccccc1 ZINC000559738625 932828327 /nfs/dbraw/zinc/82/83/27/932828327.db2.gz CTNFHGNEBNVEPN-MSOLQXFVSA-N 2 2 379.426 3.948 20 0 GHADLP Clc1ccc(COc2ccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2)cc1 ZINC001116018495 933285650 /nfs/dbraw/zinc/28/56/50/933285650.db2.gz FBPCLENYGXNTPD-IFMALSPDSA-N 2 2 386.923 3.872 20 0 GHADLP Clc1ccc(COc2ccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cc2)cc1 ZINC001116018495 933285662 /nfs/dbraw/zinc/28/56/62/933285662.db2.gz FBPCLENYGXNTPD-IFMALSPDSA-N 2 2 386.923 3.872 20 0 GHADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)c1 ZINC001116020777 933287026 /nfs/dbraw/zinc/28/70/26/933287026.db2.gz UGRGWDHPNITPLY-JOCHJYFZSA-N 2 2 380.536 3.917 20 0 GHADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)c1 ZINC001116020777 933287041 /nfs/dbraw/zinc/28/70/41/933287041.db2.gz UGRGWDHPNITPLY-JOCHJYFZSA-N 2 2 380.536 3.917 20 0 GHADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2cscc2Br)c2ccccc2)CC1 ZINC000560495527 933290960 /nfs/dbraw/zinc/29/09/60/933290960.db2.gz MHQVIZPVADSCOX-SFHVURJKSA-N 2 2 394.382 3.589 20 0 GHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C2)C1 ZINC000560594801 933370961 /nfs/dbraw/zinc/37/09/61/933370961.db2.gz KWXZLNCPQWEHCS-HXUWFJFHSA-N 2 2 392.469 3.868 20 0 GHADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C2)C1 ZINC000560594801 933370971 /nfs/dbraw/zinc/37/09/71/933370971.db2.gz KWXZLNCPQWEHCS-HXUWFJFHSA-N 2 2 392.469 3.868 20 0 GHADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C2)C1 ZINC000560594801 933370982 /nfs/dbraw/zinc/37/09/82/933370982.db2.gz KWXZLNCPQWEHCS-HXUWFJFHSA-N 2 2 392.469 3.868 20 0 GHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C2)C1 ZINC000560594801 933370989 /nfs/dbraw/zinc/37/09/89/933370989.db2.gz KWXZLNCPQWEHCS-HXUWFJFHSA-N 2 2 392.469 3.868 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC001116304914 933469149 /nfs/dbraw/zinc/46/91/49/933469149.db2.gz SFDOQLYUIYJTJR-FGZHOGPDSA-N 2 2 394.563 3.564 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC001116304914 933469154 /nfs/dbraw/zinc/46/91/54/933469154.db2.gz SFDOQLYUIYJTJR-FGZHOGPDSA-N 2 2 394.563 3.564 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)COc1ccc2ccccc2c1 ZINC000560857341 933623550 /nfs/dbraw/zinc/62/35/50/933623550.db2.gz LPAXPORJEZOFTD-FQEVSTJZSA-N 2 2 391.446 3.694 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCCNC(=O)OC(C)(C)C)CC2)cc1 ZINC001117698104 933986076 /nfs/dbraw/zinc/98/60/76/933986076.db2.gz WKWXCNPGNZZKIO-UHFFFAOYSA-N 2 2 390.572 3.616 20 0 GHADLP CS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)C1 ZINC001117720017 933996468 /nfs/dbraw/zinc/99/64/68/933996468.db2.gz BUKANHRTMWJNCF-IRXDYDNUSA-N 2 2 396.626 3.529 20 0 GHADLP CS[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)C1 ZINC001117720017 933996477 /nfs/dbraw/zinc/99/64/77/933996477.db2.gz BUKANHRTMWJNCF-IRXDYDNUSA-N 2 2 396.626 3.529 20 0 GHADLP [NH3+]C1CC[NH+](CCNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC001122240291 934848255 /nfs/dbraw/zinc/84/82/55/934848255.db2.gz USHMSIWRKBXYMO-UHFFFAOYSA-N 2 2 391.437 3.525 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001124610535 935426774 /nfs/dbraw/zinc/42/67/74/935426774.db2.gz WIPSCAGILMRGAR-DEOSSOPVSA-N 2 2 391.559 3.694 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001124610535 935426776 /nfs/dbraw/zinc/42/67/76/935426776.db2.gz WIPSCAGILMRGAR-DEOSSOPVSA-N 2 2 391.559 3.694 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)n1cc[nH+]c1 ZINC001137781612 935786721 /nfs/dbraw/zinc/78/67/21/935786721.db2.gz NHOFAEZIDKVNIU-WBADGQHESA-N 2 2 394.563 3.887 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)n1cc[nH+]c1 ZINC001137781612 935786724 /nfs/dbraw/zinc/78/67/24/935786724.db2.gz NHOFAEZIDKVNIU-WBADGQHESA-N 2 2 394.563 3.887 20 0 GHADLP COC(=O)c1ccccc1C[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001137790331 935791041 /nfs/dbraw/zinc/79/10/41/935791041.db2.gz PJQLVESSFPIXOH-KKSHJYNMSA-N 2 2 380.532 3.868 20 0 GHADLP COC(=O)c1ccccc1C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001137790331 935791046 /nfs/dbraw/zinc/79/10/46/935791046.db2.gz PJQLVESSFPIXOH-KKSHJYNMSA-N 2 2 380.532 3.868 20 0 GHADLP COC(=O)c1ccccc1C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001137790331 935791050 /nfs/dbraw/zinc/79/10/50/935791050.db2.gz PJQLVESSFPIXOH-KKSHJYNMSA-N 2 2 380.532 3.868 20 0 GHADLP COC(=O)c1ccccc1C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001137790331 935791052 /nfs/dbraw/zinc/79/10/52/935791052.db2.gz PJQLVESSFPIXOH-KKSHJYNMSA-N 2 2 380.532 3.868 20 0 GHADLP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c(F)c1F ZINC001137966380 935895497 /nfs/dbraw/zinc/89/54/97/935895497.db2.gz YPCZUALPBRKXEU-UHFFFAOYSA-N 2 2 376.447 3.733 20 0 GHADLP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c(F)c1F ZINC001137966380 935895503 /nfs/dbraw/zinc/89/55/03/935895503.db2.gz YPCZUALPBRKXEU-UHFFFAOYSA-N 2 2 376.447 3.733 20 0 GHADLP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001460976883 1069310544 /nfs/dbraw/zinc/31/05/44/1069310544.db2.gz VFWMPAQKOOAYFD-FPOVZHCZSA-N 2 2 396.579 3.873 20 0 GHADLP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001460976883 1069310558 /nfs/dbraw/zinc/31/05/58/1069310558.db2.gz VFWMPAQKOOAYFD-FPOVZHCZSA-N 2 2 396.579 3.873 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c(F)cccc1F)CC2 ZINC001204200000 1032652463 /nfs/dbraw/zinc/65/24/63/1032652463.db2.gz GFWYKAQQXAAVFN-MRXNPFEDSA-N 2 2 376.447 3.813 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c(F)cccc1F)CC2 ZINC001204200000 1032652465 /nfs/dbraw/zinc/65/24/65/1032652465.db2.gz GFWYKAQQXAAVFN-MRXNPFEDSA-N 2 2 376.447 3.813 20 0 GHADLP CCC1(NC(=O)OC(C)(C)C)C[NH+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204270829 1032713090 /nfs/dbraw/zinc/71/30/90/1032713090.db2.gz CHPYJSFWALJSOH-UHFFFAOYSA-N 2 2 391.556 3.506 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC001204289039 1032728717 /nfs/dbraw/zinc/72/87/17/1032728717.db2.gz YFHCRHDRSPVMIB-LPHOPBHVSA-N 2 2 396.453 3.941 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC001204289039 1032728738 /nfs/dbraw/zinc/72/87/38/1032728738.db2.gz YFHCRHDRSPVMIB-LPHOPBHVSA-N 2 2 396.453 3.941 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC001204289039 1032728750 /nfs/dbraw/zinc/72/87/50/1032728750.db2.gz YFHCRHDRSPVMIB-LPHOPBHVSA-N 2 2 396.453 3.941 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC001204289039 1032728762 /nfs/dbraw/zinc/72/87/62/1032728762.db2.gz YFHCRHDRSPVMIB-LPHOPBHVSA-N 2 2 396.453 3.941 20 0 GHADLP CSc1ccc([C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[NH+](C)C)cc1 ZINC000568557308 1019422023 /nfs/dbraw/zinc/42/20/23/1019422023.db2.gz SAKLCFNRTPDJHH-HXUWFJFHSA-N 2 2 380.517 3.627 20 0 GHADLP C[NH+](C)[C@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)c1cccc(Cl)c1 ZINC000570841107 1019645731 /nfs/dbraw/zinc/64/57/31/1019645731.db2.gz BHPWPYWGVRWNRR-INIZCTEOSA-N 2 2 378.929 3.505 20 0 GHADLP CCOc1ccc2[nH]cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c2c1 ZINC001140268689 1021290875 /nfs/dbraw/zinc/29/08/75/1021290875.db2.gz DBTUVICYHHFSEB-OALUTQOASA-N 2 2 376.504 3.525 20 0 GHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903896088 1021648440 /nfs/dbraw/zinc/64/84/40/1021648440.db2.gz SEZXPMWACHZYDG-AEFFLSMTSA-N 2 2 396.564 3.828 20 0 GHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903896088 1021648444 /nfs/dbraw/zinc/64/84/44/1021648444.db2.gz SEZXPMWACHZYDG-AEFFLSMTSA-N 2 2 396.564 3.828 20 0 GHADLP Cc1ccc(Cl)nc1C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001140444380 1021729533 /nfs/dbraw/zinc/72/95/33/1021729533.db2.gz HOVRKWRAWZXMEE-KRWDZBQOSA-N 2 2 389.927 3.892 20 0 GHADLP Cc1ccc(Cl)nc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001140444380 1021729543 /nfs/dbraw/zinc/72/95/43/1021729543.db2.gz HOVRKWRAWZXMEE-KRWDZBQOSA-N 2 2 389.927 3.892 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001140523674 1021915409 /nfs/dbraw/zinc/91/54/09/1021915409.db2.gz SYNAGJAUDPMDNU-FFZOFVMBSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001140523674 1021915413 /nfs/dbraw/zinc/91/54/13/1021915413.db2.gz SYNAGJAUDPMDNU-FFZOFVMBSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001140523674 1021915421 /nfs/dbraw/zinc/91/54/21/1021915421.db2.gz SYNAGJAUDPMDNU-FFZOFVMBSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001140523674 1021915424 /nfs/dbraw/zinc/91/54/24/1021915424.db2.gz SYNAGJAUDPMDNU-FFZOFVMBSA-N 2 2 399.560 3.662 20 0 GHADLP FC(F)Oc1c(Br)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000679025640 1021953857 /nfs/dbraw/zinc/95/38/57/1021953857.db2.gz OWLAYIARSAUXAO-CHWSQXEVSA-N 2 2 375.257 3.767 20 0 GHADLP FC(F)Oc1c(Br)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000679025640 1021953860 /nfs/dbraw/zinc/95/38/60/1021953860.db2.gz OWLAYIARSAUXAO-CHWSQXEVSA-N 2 2 375.257 3.767 20 0 GHADLP CC(C)(C)[NH2+]Cc1ccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)cc1 ZINC001204706094 1033037046 /nfs/dbraw/zinc/03/70/46/1033037046.db2.gz SCBXDNOPMFEFQZ-UHFFFAOYSA-N 2 2 394.563 3.839 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000683013992 1022376229 /nfs/dbraw/zinc/37/62/29/1022376229.db2.gz LHCIYOPIDVYKSD-UHFFFAOYSA-N 2 2 375.472 3.981 20 0 GHADLP O=C(OCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000754496024 1022739831 /nfs/dbraw/zinc/73/98/31/1022739831.db2.gz ADVAMXBPNMCHNP-OAQYLSRUSA-N 2 2 375.472 3.828 20 0 GHADLP O=C(OCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000754496024 1022739845 /nfs/dbraw/zinc/73/98/45/1022739845.db2.gz ADVAMXBPNMCHNP-OAQYLSRUSA-N 2 2 375.472 3.828 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000245874438 1033097544 /nfs/dbraw/zinc/09/75/44/1033097544.db2.gz MNQLIFFLDCBTOL-YADARESESA-N 2 2 394.563 3.722 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000245874438 1033097563 /nfs/dbraw/zinc/09/75/63/1033097563.db2.gz MNQLIFFLDCBTOL-YADARESESA-N 2 2 394.563 3.722 20 0 GHADLP C[C@@H](c1ccccc1)n1cnn(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755773916 1023371603 /nfs/dbraw/zinc/37/16/03/1023371603.db2.gz CUMGCLWVHBIGHN-FXAWDEMLSA-N 2 2 385.581 3.645 20 0 GHADLP C[C@@H](c1ccccc1)n1cnn(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755773916 1023371611 /nfs/dbraw/zinc/37/16/11/1023371611.db2.gz CUMGCLWVHBIGHN-FXAWDEMLSA-N 2 2 385.581 3.645 20 0 GHADLP CCCCc1[nH]c(C[NH+]2CCC3(C[C@H](CC(=O)NC)c4ccccc43)CC2)c[nH+]1 ZINC001141070379 1023423006 /nfs/dbraw/zinc/42/30/06/1023423006.db2.gz WFEVNEQADPNJQE-SFHVURJKSA-N 2 2 394.563 3.910 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc4c3cnn4[C@@H]3CCCCO3)c2)C1 ZINC001204897246 1033153329 /nfs/dbraw/zinc/15/33/29/1033153329.db2.gz JAORDDJXTFDWFF-XXBNENTESA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc4c3cnn4[C@@H]3CCCCO3)c2)C1 ZINC001204897246 1033153333 /nfs/dbraw/zinc/15/33/33/1033153333.db2.gz JAORDDJXTFDWFF-XXBNENTESA-N 2 2 376.504 3.935 20 0 GHADLP CC1(C)CCc2cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccc2O1 ZINC001141181505 1024023080 /nfs/dbraw/zinc/02/30/80/1024023080.db2.gz HPPLNLXNDRRCPG-SZPZYZBQSA-N 2 2 377.532 3.749 20 0 GHADLP CC1(C)CCc2cc(C[N@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccc2O1 ZINC001141181505 1024023099 /nfs/dbraw/zinc/02/30/99/1024023099.db2.gz HPPLNLXNDRRCPG-SZPZYZBQSA-N 2 2 377.532 3.749 20 0 GHADLP CC1(C)CCc2cc(C[NH+]3C[C@@H]4C[N@H+](Cc5cccnc5)C[C@@H]4C3)ccc2O1 ZINC001141181505 1024023109 /nfs/dbraw/zinc/02/31/09/1024023109.db2.gz HPPLNLXNDRRCPG-SZPZYZBQSA-N 2 2 377.532 3.749 20 0 GHADLP CC1(C)CCc2cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccnc5)C[C@@H]4C3)ccc2O1 ZINC001141181505 1024023127 /nfs/dbraw/zinc/02/31/27/1024023127.db2.gz HPPLNLXNDRRCPG-SZPZYZBQSA-N 2 2 377.532 3.749 20 0 GHADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001141229639 1024216320 /nfs/dbraw/zinc/21/63/20/1024216320.db2.gz VHAFGDBRWXYBLO-GIVPXCGWSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001141229639 1024216332 /nfs/dbraw/zinc/21/63/32/1024216332.db2.gz VHAFGDBRWXYBLO-GIVPXCGWSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001141229639 1024216347 /nfs/dbraw/zinc/21/63/47/1024216347.db2.gz VHAFGDBRWXYBLO-GIVPXCGWSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001141229639 1024216367 /nfs/dbraw/zinc/21/63/67/1024216367.db2.gz VHAFGDBRWXYBLO-GIVPXCGWSA-N 2 2 387.959 3.613 20 0 GHADLP [NH3+]CC1CC[NH+](Cc2c(Br)ccc(Br)c2F)CC1 ZINC001205058392 1033229953 /nfs/dbraw/zinc/22/99/53/1033229953.db2.gz LENJTDHMYPLNNK-UHFFFAOYSA-N 2 2 380.099 3.521 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)ccc1OC(F)F ZINC001138552399 1025007335 /nfs/dbraw/zinc/00/73/35/1025007335.db2.gz CZWFVSXUKYXFKT-OAQYLSRUSA-N 2 2 398.494 3.619 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)ccc1OC(F)F ZINC001138552399 1025007349 /nfs/dbraw/zinc/00/73/49/1025007349.db2.gz CZWFVSXUKYXFKT-OAQYLSRUSA-N 2 2 398.494 3.619 20 0 GHADLP COc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)ccc1OC(F)F ZINC001138552399 1025007360 /nfs/dbraw/zinc/00/73/60/1025007360.db2.gz CZWFVSXUKYXFKT-OAQYLSRUSA-N 2 2 398.494 3.619 20 0 GHADLP COc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)ccc1OC(F)F ZINC001138552399 1025007373 /nfs/dbraw/zinc/00/73/73/1025007373.db2.gz CZWFVSXUKYXFKT-OAQYLSRUSA-N 2 2 398.494 3.619 20 0 GHADLP Cc1[nH+]c2c(Nc3ccc(C4([NH+]5CCN(C)CC5)CC4)cc3)cccn2c1C ZINC001205107599 1033255253 /nfs/dbraw/zinc/25/52/53/1033255253.db2.gz HOAWZQZDGSXNOD-UHFFFAOYSA-N 2 2 375.520 3.931 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4cccc(Oc5ncccn5)c4)C[C@@H]3C2)c1 ZINC001138619957 1025114120 /nfs/dbraw/zinc/11/41/20/1025114120.db2.gz KUUCWNUGERBNRS-RTBURBONSA-N 2 2 392.528 3.894 20 0 GHADLP CCCn1ncc(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c1C ZINC001138636266 1025143114 /nfs/dbraw/zinc/14/31/14/1025143114.db2.gz PILCKCJWUZLKFN-UHFFFAOYSA-N 2 2 393.535 3.780 20 0 GHADLP CCCn1ncc(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c1C ZINC001138636266 1025143120 /nfs/dbraw/zinc/14/31/20/1025143120.db2.gz PILCKCJWUZLKFN-UHFFFAOYSA-N 2 2 393.535 3.780 20 0 GHADLP CCCn1ncc(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1C ZINC001138636266 1025143126 /nfs/dbraw/zinc/14/31/26/1025143126.db2.gz PILCKCJWUZLKFN-UHFFFAOYSA-N 2 2 393.535 3.780 20 0 GHADLP CCCn1ncc(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1C ZINC001138636266 1025143132 /nfs/dbraw/zinc/14/31/32/1025143132.db2.gz PILCKCJWUZLKFN-UHFFFAOYSA-N 2 2 393.535 3.780 20 0 GHADLP OCCOc1ccc(C[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)cc1 ZINC001138793939 1025368970 /nfs/dbraw/zinc/36/89/70/1025368970.db2.gz AAQSRXQPTSFKBO-UHFFFAOYSA-N 2 2 389.455 3.565 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3cnc4ccc(Cl)cn34)CC2)c1 ZINC001461014995 1069336656 /nfs/dbraw/zinc/33/66/56/1069336656.db2.gz WSYXSPAXKUVQGD-UHFFFAOYSA-N 2 2 397.954 3.598 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC000839186388 1025702166 /nfs/dbraw/zinc/70/21/66/1025702166.db2.gz LGAOSLDVJAGOOI-XUVXKRRUSA-N 2 2 396.535 3.998 20 0 GHADLP CC(C)Oc1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC001138982590 1025715204 /nfs/dbraw/zinc/71/52/04/1025715204.db2.gz OACBHIXEVNSHQC-UHFFFAOYSA-N 2 2 384.520 3.934 20 0 GHADLP CC(C)Oc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC001138982590 1025715215 /nfs/dbraw/zinc/71/52/15/1025715215.db2.gz OACBHIXEVNSHQC-UHFFFAOYSA-N 2 2 384.520 3.934 20 0 GHADLP Cc1cccc(C(=O)N2CCC([NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)CC2)c1 ZINC001461029048 1069346808 /nfs/dbraw/zinc/34/68/08/1069346808.db2.gz DYRYPGAIKAWQFG-UHFFFAOYSA-N 2 2 388.515 3.634 20 0 GHADLP COc1ccccc1C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001139058975 1025850155 /nfs/dbraw/zinc/85/01/55/1025850155.db2.gz IQBYTYOHSLEFAF-UHFFFAOYSA-N 2 2 380.532 3.907 20 0 GHADLP Fc1cc2ncccc2cc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001141625558 1025941562 /nfs/dbraw/zinc/94/15/62/1025941562.db2.gz XIGYFXNHOBTINJ-UHFFFAOYSA-N 2 2 395.478 3.834 20 0 GHADLP Fc1cc2ncccc2cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001141625558 1025941571 /nfs/dbraw/zinc/94/15/71/1025941571.db2.gz XIGYFXNHOBTINJ-UHFFFAOYSA-N 2 2 395.478 3.834 20 0 GHADLP COc1cc(O)ccc1C[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001139142066 1025956554 /nfs/dbraw/zinc/95/65/54/1025956554.db2.gz MRXFGONTCRSEEM-UHFFFAOYSA-N 2 2 393.487 3.579 20 0 GHADLP COc1cc(O)ccc1C[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001139142066 1025956562 /nfs/dbraw/zinc/95/65/62/1025956562.db2.gz MRXFGONTCRSEEM-UHFFFAOYSA-N 2 2 393.487 3.579 20 0 GHADLP COc1cc(O)ccc1C[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001139142066 1025956564 /nfs/dbraw/zinc/95/65/64/1025956564.db2.gz MRXFGONTCRSEEM-UHFFFAOYSA-N 2 2 393.487 3.579 20 0 GHADLP COc1cc(O)ccc1C[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001139142066 1025956569 /nfs/dbraw/zinc/95/65/69/1025956569.db2.gz MRXFGONTCRSEEM-UHFFFAOYSA-N 2 2 393.487 3.579 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4nsnc4c3)C[C@H]21 ZINC001139212543 1026064666 /nfs/dbraw/zinc/06/46/66/1026064666.db2.gz GXZXUZSSKAVDFI-SFGWALBWSA-N 2 2 393.560 3.819 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4nsnc4c3)C[C@H]21 ZINC001139212543 1026064677 /nfs/dbraw/zinc/06/46/77/1026064677.db2.gz GXZXUZSSKAVDFI-SFGWALBWSA-N 2 2 393.560 3.819 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4nsnc4c3)C[C@H]21 ZINC001139212543 1026064692 /nfs/dbraw/zinc/06/46/92/1026064692.db2.gz GXZXUZSSKAVDFI-SFGWALBWSA-N 2 2 393.560 3.819 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4nsnc4c3)C[C@H]21 ZINC001139212543 1026064707 /nfs/dbraw/zinc/06/47/07/1026064707.db2.gz GXZXUZSSKAVDFI-SFGWALBWSA-N 2 2 393.560 3.819 20 0 GHADLP C[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139358305 1026230814 /nfs/dbraw/zinc/23/08/14/1026230814.db2.gz OKNNZVVBZCLCAS-PKOBYXMFSA-N 2 2 384.524 3.998 20 0 GHADLP C[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139358305 1026230829 /nfs/dbraw/zinc/23/08/29/1026230829.db2.gz OKNNZVVBZCLCAS-PKOBYXMFSA-N 2 2 384.524 3.998 20 0 GHADLP Nc1ncnc(Cl)c1C[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001139443231 1026309332 /nfs/dbraw/zinc/30/93/32/1026309332.db2.gz XKWHVPUWYTVAOH-UHFFFAOYSA-N 2 2 385.943 3.590 20 0 GHADLP Nc1ncnc(Cl)c1C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001139443231 1026309344 /nfs/dbraw/zinc/30/93/44/1026309344.db2.gz XKWHVPUWYTVAOH-UHFFFAOYSA-N 2 2 385.943 3.590 20 0 GHADLP C[NH+](C)C1(CNc2nccc3cc(-c4ccc(F)cc4)[nH]c32)CC[NH+](C)CC1 ZINC001164210518 1026453208 /nfs/dbraw/zinc/45/32/08/1026453208.db2.gz DVKDANGHCKPDLK-UHFFFAOYSA-N 2 2 381.499 3.807 20 0 GHADLP Fc1cccc([C@H]2CCC[N@@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001139763162 1026601013 /nfs/dbraw/zinc/60/10/13/1026601013.db2.gz HDGGACDUILCXFZ-HSZRJFAPSA-N 2 2 384.495 3.874 20 0 GHADLP Fc1cccc([C@H]2CCC[N@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001139763162 1026601021 /nfs/dbraw/zinc/60/10/21/1026601021.db2.gz HDGGACDUILCXFZ-HSZRJFAPSA-N 2 2 384.495 3.874 20 0 GHADLP FC1CC2(C1)CCC[N@H+](Cc1cccc(OCC[NH+]3CCOCC3)c1)CC2 ZINC001139764720 1026602465 /nfs/dbraw/zinc/60/24/65/1026602465.db2.gz MVIIBFVEEAHTIE-UHFFFAOYSA-N 2 2 376.516 3.502 20 0 GHADLP FC1CC2(C1)CCC[N@@H+](Cc1cccc(OCC[NH+]3CCOCC3)c1)CC2 ZINC001139764720 1026602474 /nfs/dbraw/zinc/60/24/74/1026602474.db2.gz MVIIBFVEEAHTIE-UHFFFAOYSA-N 2 2 376.516 3.502 20 0 GHADLP C[C@@H]1CCCN(c2cc(N3CCC([N@@H+]4CCc5ccccc5C4)CC3)nc[nH+]2)C1 ZINC001165153310 1026636168 /nfs/dbraw/zinc/63/61/68/1026636168.db2.gz BYKPDWVPXDFDDD-LJQANCHMSA-N 2 2 391.563 3.740 20 0 GHADLP C[C@@H]1CCCN(c2cc(N3CCC([N@H+]4CCc5ccccc5C4)CC3)nc[nH+]2)C1 ZINC001165153310 1026636171 /nfs/dbraw/zinc/63/61/71/1026636171.db2.gz BYKPDWVPXDFDDD-LJQANCHMSA-N 2 2 391.563 3.740 20 0 GHADLP Cc1[nH+]c2c(n1-c1cnc(Cl)nc1Oc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC001165357145 1026711527 /nfs/dbraw/zinc/71/15/27/1026711527.db2.gz VCPOQJFQZNVBNA-UHFFFAOYSA-N 2 2 390.274 3.758 20 0 GHADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)c12 ZINC001165431545 1026726136 /nfs/dbraw/zinc/72/61/36/1026726136.db2.gz FUGNYGQUBSWMCP-MOPGFXCFSA-N 2 2 393.510 3.610 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001140021695 1026804911 /nfs/dbraw/zinc/80/49/11/1026804911.db2.gz OZZYYYBFTNNHNA-QGZVFWFLSA-N 2 2 384.524 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001140021695 1026804917 /nfs/dbraw/zinc/80/49/17/1026804917.db2.gz OZZYYYBFTNNHNA-QGZVFWFLSA-N 2 2 384.524 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001140020968 1026805784 /nfs/dbraw/zinc/80/57/84/1026805784.db2.gz FZUVXJUWVMCTCQ-MOPGFXCFSA-N 2 2 382.508 3.622 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001140020968 1026805789 /nfs/dbraw/zinc/80/57/89/1026805789.db2.gz FZUVXJUWVMCTCQ-MOPGFXCFSA-N 2 2 382.508 3.622 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001140021919 1026807820 /nfs/dbraw/zinc/80/78/20/1026807820.db2.gz UEOPYSGUUDWHSF-UYAOXDASSA-N 2 2 396.535 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001140021919 1026807830 /nfs/dbraw/zinc/80/78/30/1026807830.db2.gz UEOPYSGUUDWHSF-UYAOXDASSA-N 2 2 396.535 3.870 20 0 GHADLP CN(CC[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001203001718 1026870912 /nfs/dbraw/zinc/87/09/12/1026870912.db2.gz ILQMMRQONGWRFL-UHFFFAOYSA-N 2 2 379.520 3.589 20 0 GHADLP CN(CC[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001203001718 1026870918 /nfs/dbraw/zinc/87/09/18/1026870918.db2.gz ILQMMRQONGWRFL-UHFFFAOYSA-N 2 2 379.520 3.589 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1 ZINC000840055356 1027123066 /nfs/dbraw/zinc/12/30/66/1027123066.db2.gz NIVOXPGFTPBHGW-NRFANRHFSA-N 2 2 380.536 3.869 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1 ZINC000840055356 1027123078 /nfs/dbraw/zinc/12/30/78/1027123078.db2.gz NIVOXPGFTPBHGW-NRFANRHFSA-N 2 2 380.536 3.869 20 0 GHADLP C[NH+]1CCC(COc2ccccc2Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC001209932615 1027282495 /nfs/dbraw/zinc/28/24/95/1027282495.db2.gz FAQTYNHFUXCRFI-UHFFFAOYSA-N 2 2 395.547 3.983 20 0 GHADLP CC(C)C[NH+]1CCC(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001141816632 1027351297 /nfs/dbraw/zinc/35/12/97/1027351297.db2.gz CZQFIFQIFLMCBE-OALUTQOASA-N 2 2 387.568 3.602 20 0 GHADLP COc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccc1OC(C)=O ZINC001203827464 1027637513 /nfs/dbraw/zinc/63/75/13/1027637513.db2.gz FTZQJBUBMFTFRY-UHFFFAOYSA-N 2 2 382.504 3.717 20 0 GHADLP COc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccc1OC(C)=O ZINC001203827464 1027637522 /nfs/dbraw/zinc/63/75/22/1027637522.db2.gz FTZQJBUBMFTFRY-UHFFFAOYSA-N 2 2 382.504 3.717 20 0 GHADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001211061037 1027771846 /nfs/dbraw/zinc/77/18/46/1027771846.db2.gz OSWCSXWJRRIWIB-QAPCUYQASA-N 2 2 398.954 3.644 20 0 GHADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001211061037 1027771855 /nfs/dbraw/zinc/77/18/55/1027771855.db2.gz OSWCSXWJRRIWIB-QAPCUYQASA-N 2 2 398.954 3.644 20 0 GHADLP c1cnn(C[C@@H]2C[C@@H]3C[NH+](Cc4c[nH]c5ccccc45)CC[C@@H]3[N@@H+]2CC2CC2)c1 ZINC001204045690 1027832811 /nfs/dbraw/zinc/83/28/11/1027832811.db2.gz NKIWUIXJHWLGHC-IZIIKQMZSA-N 2 2 389.547 3.739 20 0 GHADLP c1cnn(C[C@@H]2C[C@@H]3C[NH+](Cc4c[nH]c5ccccc45)CC[C@@H]3[N@H+]2CC2CC2)c1 ZINC001204045690 1027832824 /nfs/dbraw/zinc/83/28/24/1027832824.db2.gz NKIWUIXJHWLGHC-IZIIKQMZSA-N 2 2 389.547 3.739 20 0 GHADLP c1cnn(C[C@@H]2C[C@@H]3C[N@H+](Cc4c[nH]c5ccccc45)CC[C@@H]3[NH+]2CC2CC2)c1 ZINC001204045690 1027832843 /nfs/dbraw/zinc/83/28/43/1027832843.db2.gz NKIWUIXJHWLGHC-IZIIKQMZSA-N 2 2 389.547 3.739 20 0 GHADLP c1cnn(C[C@@H]2C[C@@H]3C[N@@H+](Cc4c[nH]c5ccccc45)CC[C@@H]3[NH+]2CC2CC2)c1 ZINC001204045690 1027832869 /nfs/dbraw/zinc/83/28/69/1027832869.db2.gz NKIWUIXJHWLGHC-IZIIKQMZSA-N 2 2 389.547 3.739 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000841065472 1028082515 /nfs/dbraw/zinc/08/25/15/1028082515.db2.gz PSNVNTSCRLPBRZ-GUDVDZBRSA-N 2 2 376.447 3.796 20 0 GHADLP Clc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cs1 ZINC001142769675 1029408173 /nfs/dbraw/zinc/40/81/73/1029408173.db2.gz YDCJCDWKYRKAJF-QZTJIDSGSA-N 2 2 377.941 3.519 20 0 GHADLP Clc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cs1 ZINC001142769675 1029408180 /nfs/dbraw/zinc/40/81/80/1029408180.db2.gz YDCJCDWKYRKAJF-QZTJIDSGSA-N 2 2 377.941 3.519 20 0 GHADLP Clc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cs1 ZINC001142769675 1029408186 /nfs/dbraw/zinc/40/81/86/1029408186.db2.gz YDCJCDWKYRKAJF-QZTJIDSGSA-N 2 2 377.941 3.519 20 0 GHADLP Clc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cs1 ZINC001142769675 1029408192 /nfs/dbraw/zinc/40/81/92/1029408192.db2.gz YDCJCDWKYRKAJF-QZTJIDSGSA-N 2 2 377.941 3.519 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)C1 ZINC001142775184 1029432472 /nfs/dbraw/zinc/43/24/72/1029432472.db2.gz KWKYBJCVMCRAGP-VIYGXFRKSA-N 2 2 384.568 3.916 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)C1 ZINC001142775184 1029432479 /nfs/dbraw/zinc/43/24/79/1029432479.db2.gz KWKYBJCVMCRAGP-VIYGXFRKSA-N 2 2 384.568 3.916 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)C[C@@H]2C1 ZINC000842701999 1029512626 /nfs/dbraw/zinc/51/26/26/1029512626.db2.gz FGZZAWWIYHGVAA-DMUMMCEESA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)C[C@@H]2C1 ZINC000842701999 1029512633 /nfs/dbraw/zinc/51/26/33/1029512633.db2.gz FGZZAWWIYHGVAA-DMUMMCEESA-N 2 2 377.573 3.629 20 0 GHADLP CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)C1CC1 ZINC001461588354 1069625225 /nfs/dbraw/zinc/62/52/25/1069625225.db2.gz ZTMLTAPWXFBYHL-FOIQADDNSA-N 2 2 377.916 3.909 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000843361817 1029940900 /nfs/dbraw/zinc/94/09/00/1029940900.db2.gz LZSIFAWDVPMIEL-NOTZXAQLSA-N 2 2 391.559 3.669 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000843361817 1029940906 /nfs/dbraw/zinc/94/09/06/1029940906.db2.gz LZSIFAWDVPMIEL-NOTZXAQLSA-N 2 2 391.559 3.669 20 0 GHADLP Clc1ncc(Br)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000843396505 1029967188 /nfs/dbraw/zinc/96/71/88/1029967188.db2.gz MYLBYWXHANLIEG-MLGOLLRUSA-N 2 2 384.749 3.946 20 0 GHADLP Clc1ncc(Br)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000843396505 1029967197 /nfs/dbraw/zinc/96/71/97/1029967197.db2.gz MYLBYWXHANLIEG-MLGOLLRUSA-N 2 2 384.749 3.946 20 0 GHADLP Clc1ncc(Br)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000843396505 1029967202 /nfs/dbraw/zinc/96/72/02/1029967202.db2.gz MYLBYWXHANLIEG-MLGOLLRUSA-N 2 2 384.749 3.946 20 0 GHADLP Clc1ncc(Br)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000843396505 1029967207 /nfs/dbraw/zinc/96/72/07/1029967207.db2.gz MYLBYWXHANLIEG-MLGOLLRUSA-N 2 2 384.749 3.946 20 0 GHADLP COC(=O)/C=C/c1cc(F)c(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(F)c1 ZINC001222171730 1029987860 /nfs/dbraw/zinc/98/78/60/1029987860.db2.gz DYELQFGVZUNPCM-WMWRJIBUSA-N 2 2 392.490 3.897 20 0 GHADLP COC(=O)/C=C/c1cc(F)c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(F)c1 ZINC001222171730 1029987863 /nfs/dbraw/zinc/98/78/63/1029987863.db2.gz DYELQFGVZUNPCM-WMWRJIBUSA-N 2 2 392.490 3.897 20 0 GHADLP Fc1c(Br)ccc(Br)c1C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001222207948 1030005291 /nfs/dbraw/zinc/00/52/91/1030005291.db2.gz GYNMMDGWFNTGEP-UHFFFAOYSA-N 2 2 392.110 3.536 20 0 GHADLP COc1cccc(-c2noc(-c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)n2)c1 ZINC001217116591 1030177552 /nfs/dbraw/zinc/17/75/52/1030177552.db2.gz QTRBDLAUJPPBJO-UHFFFAOYSA-N 2 2 380.492 3.796 20 0 GHADLP COc1cccc(-c2noc(-c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)n2)c1 ZINC001217116591 1030177560 /nfs/dbraw/zinc/17/75/60/1030177560.db2.gz QTRBDLAUJPPBJO-UHFFFAOYSA-N 2 2 380.492 3.796 20 0 GHADLP CCOc1ccnc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222590061 1030214212 /nfs/dbraw/zinc/21/42/12/1030214212.db2.gz DFECCALPDNRFCO-JOCHJYFZSA-N 2 2 395.547 3.784 20 0 GHADLP CCOc1ccnc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222590061 1030214231 /nfs/dbraw/zinc/21/42/31/1030214231.db2.gz DFECCALPDNRFCO-JOCHJYFZSA-N 2 2 395.547 3.784 20 0 GHADLP Oc1cc(F)cc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222591512 1030218139 /nfs/dbraw/zinc/21/81/39/1030218139.db2.gz VOJAFNNEKGILPP-OAQYLSRUSA-N 2 2 384.495 3.835 20 0 GHADLP Oc1cc(F)cc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222591512 1030218151 /nfs/dbraw/zinc/21/81/51/1030218151.db2.gz VOJAFNNEKGILPP-OAQYLSRUSA-N 2 2 384.495 3.835 20 0 GHADLP Brc1ccnc2[nH]cc(C[N@@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)c21 ZINC001222602742 1030228690 /nfs/dbraw/zinc/22/86/90/1030228690.db2.gz YJXHZEAVGYCLND-MRXNPFEDSA-N 2 2 397.320 3.514 20 0 GHADLP Brc1ccnc2[nH]cc(C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)c21 ZINC001222602742 1030228698 /nfs/dbraw/zinc/22/86/98/1030228698.db2.gz YJXHZEAVGYCLND-MRXNPFEDSA-N 2 2 397.320 3.514 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)CC(F)F ZINC001461701560 1069688648 /nfs/dbraw/zinc/68/86/48/1069688648.db2.gz XTWYSRBSRDIIDC-RDJZCZTQSA-N 2 2 389.531 3.922 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)CC(F)F ZINC001461701560 1069688652 /nfs/dbraw/zinc/68/86/52/1069688652.db2.gz XTWYSRBSRDIIDC-RDJZCZTQSA-N 2 2 389.531 3.922 20 0 GHADLP Cc1c(O[C@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)ccc2c1CC[NH2+]C2 ZINC001218389654 1030916947 /nfs/dbraw/zinc/91/69/47/1030916947.db2.gz BTPVMIAIPSIKKJ-HNNXBMFYSA-N 2 2 377.941 3.794 20 0 GHADLP Cc1c(O[C@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)ccc2c1CC[NH2+]C2 ZINC001218389654 1030916948 /nfs/dbraw/zinc/91/69/48/1030916948.db2.gz BTPVMIAIPSIKKJ-HNNXBMFYSA-N 2 2 377.941 3.794 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)c1ccn2c[nH+]cc2c1)c1ccc(Cl)cc1Cl ZINC001151909309 1031047520 /nfs/dbraw/zinc/04/75/20/1031047520.db2.gz PWJYBCICKLDLSX-QGZVFWFLSA-N 2 2 377.275 3.674 20 0 GHADLP [NH3+][C@@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc(C(F)(F)F)c1 ZINC001218812762 1031090263 /nfs/dbraw/zinc/09/02/63/1031090263.db2.gz ZWYXEZHXYKMFDR-MRXNPFEDSA-N 2 2 388.393 3.790 20 0 GHADLP O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)[C@H]1Cc2cc(O)ccc2C[NH2+]1 ZINC001218847966 1031112508 /nfs/dbraw/zinc/11/25/08/1031112508.db2.gz LRWMMGHLWJZSLG-XMMPIXPASA-N 2 2 399.494 3.561 20 0 GHADLP O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)[C@H]1Cc2cc(O)ccc2C[NH2+]1 ZINC001218847966 1031112517 /nfs/dbraw/zinc/11/25/17/1031112517.db2.gz LRWMMGHLWJZSLG-XMMPIXPASA-N 2 2 399.494 3.561 20 0 GHADLP CN(C(=O)/C=C/CCc1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001153505920 1031623219 /nfs/dbraw/zinc/62/32/19/1031623219.db2.gz WGORFSUOEHXEKH-OGIUJUDPSA-N 2 2 397.607 3.971 20 0 GHADLP CN(C(=O)/C=C/CCc1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001153505920 1031623227 /nfs/dbraw/zinc/62/32/27/1031623227.db2.gz WGORFSUOEHXEKH-OGIUJUDPSA-N 2 2 397.607 3.971 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@H]1[NH2+]Cc2ccccc21)c1ccc(Cl)cc1Cl ZINC001220532352 1031979390 /nfs/dbraw/zinc/97/93/90/1031979390.db2.gz GWHIMISWHJHFKT-MSOLQXFVSA-N 2 2 378.303 3.557 20 0 GHADLP C[C@@H](C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001220532505 1031979458 /nfs/dbraw/zinc/97/94/58/1031979458.db2.gz HRPARAJOBYTKTE-MMQJMDILSA-N 2 2 386.367 3.737 20 0 GHADLP C[C@H]([NH2+][C@@H](CC(N)=O)c1ccccc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001205311055 1033354258 /nfs/dbraw/zinc/35/42/58/1033354258.db2.gz AZGQXWAEKGEABD-CDXJDZJCSA-N 2 2 385.939 3.757 20 0 GHADLP C[C@H]([NH2+][C@@H](CC(N)=O)c1ccccc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001205311055 1033354273 /nfs/dbraw/zinc/35/42/73/1033354273.db2.gz AZGQXWAEKGEABD-CDXJDZJCSA-N 2 2 385.939 3.757 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001205489568 1033438877 /nfs/dbraw/zinc/43/88/77/1033438877.db2.gz ULESFGNSDOOIOJ-MNLRITNHSA-N 2 2 387.568 3.790 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001205489568 1033438889 /nfs/dbraw/zinc/43/88/89/1033438889.db2.gz ULESFGNSDOOIOJ-MNLRITNHSA-N 2 2 387.568 3.790 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C(=O)NCCc1ccccc1 ZINC001205812744 1033587137 /nfs/dbraw/zinc/58/71/37/1033587137.db2.gz NITRLYCIUSGENB-NGYIFUPDSA-N 2 2 391.559 3.692 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(=O)NCCc1ccccc1 ZINC001205812744 1033587149 /nfs/dbraw/zinc/58/71/49/1033587149.db2.gz NITRLYCIUSGENB-NGYIFUPDSA-N 2 2 391.559 3.692 20 0 GHADLP C[NH+](C)CCc1ccc(O[C@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)cc1 ZINC001229660446 1033621364 /nfs/dbraw/zinc/62/13/64/1033621364.db2.gz UALBCUNOMWUGSD-KRWDZBQOSA-N 2 2 379.957 3.944 20 0 GHADLP C[NH+](C)CCc1ccc(O[C@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)cc1 ZINC001229660446 1033621376 /nfs/dbraw/zinc/62/13/76/1033621376.db2.gz UALBCUNOMWUGSD-KRWDZBQOSA-N 2 2 379.957 3.944 20 0 GHADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1Br ZINC001205914570 1033634380 /nfs/dbraw/zinc/63/43/80/1033634380.db2.gz NBJIKCNPGAHLOZ-WDEREUQCSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1Br ZINC001205914570 1033634385 /nfs/dbraw/zinc/63/43/85/1033634385.db2.gz NBJIKCNPGAHLOZ-WDEREUQCSA-N 2 2 381.236 3.907 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc(OC)c1OCc1ccccc1 ZINC001206209426 1033763521 /nfs/dbraw/zinc/76/35/21/1033763521.db2.gz FGZKAZRYBNATBR-RBUKOAKNSA-N 2 2 388.483 3.544 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc(OC)c1OCc1ccccc1 ZINC001206209426 1033763538 /nfs/dbraw/zinc/76/35/38/1033763538.db2.gz FGZKAZRYBNATBR-RBUKOAKNSA-N 2 2 388.483 3.544 20 0 GHADLP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2n[nH]c3cc(Br)ccc32)CC1 ZINC001206755413 1033970246 /nfs/dbraw/zinc/97/02/46/1033970246.db2.gz HBUIOZKPHFWEKX-UHFFFAOYSA-N 2 2 399.336 3.818 20 0 GHADLP Cc1cc(N(C2CC[NH2+]CC2)C(F)(F)c2cnc(Cl)cc2C)nc(C)[nH+]1 ZINC001158391886 1034059152 /nfs/dbraw/zinc/05/91/52/1034059152.db2.gz NCGLDJCFWHDGGN-UHFFFAOYSA-N 2 2 381.858 3.758 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ncc(F)cc1F)CC2 ZINC001207096386 1034090515 /nfs/dbraw/zinc/09/05/15/1034090515.db2.gz OBCKOUVFRARJPN-LJQANCHMSA-N 2 2 387.474 3.615 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ncc(F)cc1F)CC2 ZINC001207096386 1034090526 /nfs/dbraw/zinc/09/05/26/1034090526.db2.gz OBCKOUVFRARJPN-LJQANCHMSA-N 2 2 387.474 3.615 20 0 GHADLP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ncc(F)cc2F)CC3)c1 ZINC001207096450 1034092309 /nfs/dbraw/zinc/09/23/09/1034092309.db2.gz PCGYIZRWRUDINC-UHFFFAOYSA-N 2 2 387.474 3.857 20 0 GHADLP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ncc(F)cc2F)CC3)c1 ZINC001207096450 1034092320 /nfs/dbraw/zinc/09/23/20/1034092320.db2.gz PCGYIZRWRUDINC-UHFFFAOYSA-N 2 2 387.474 3.857 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207182502 1034151337 /nfs/dbraw/zinc/15/13/37/1034151337.db2.gz LBNOQSOIMOBFHE-ILWGZMRPSA-N 2 2 392.971 3.504 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207182502 1034151342 /nfs/dbraw/zinc/15/13/42/1034151342.db2.gz LBNOQSOIMOBFHE-ILWGZMRPSA-N 2 2 392.971 3.504 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207182502 1034151348 /nfs/dbraw/zinc/15/13/48/1034151348.db2.gz LBNOQSOIMOBFHE-ILWGZMRPSA-N 2 2 392.971 3.504 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207182502 1034151356 /nfs/dbraw/zinc/15/13/56/1034151356.db2.gz LBNOQSOIMOBFHE-ILWGZMRPSA-N 2 2 392.971 3.504 20 0 GHADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)nc1 ZINC001158628842 1034209735 /nfs/dbraw/zinc/20/97/35/1034209735.db2.gz OYRGOBSEFAQKGA-MOPGFXCFSA-N 2 2 378.511 3.938 20 0 GHADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)nc1 ZINC001158628842 1034209751 /nfs/dbraw/zinc/20/97/51/1034209751.db2.gz OYRGOBSEFAQKGA-MOPGFXCFSA-N 2 2 378.511 3.938 20 0 GHADLP CCN(CC)c1cc(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)nc[nH+]1 ZINC001158669722 1034223820 /nfs/dbraw/zinc/22/38/20/1034223820.db2.gz FBFIGXQUGVGUKZ-UHFFFAOYSA-N 2 2 393.413 3.667 20 0 GHADLP Brc1ccc2[nH+]ccc(Nc3ccc(N4CC[NH2+]CC4)cc3)c2c1 ZINC001159215900 1034489622 /nfs/dbraw/zinc/48/96/22/1034489622.db2.gz VDCHDLSDIXGOQX-UHFFFAOYSA-N 2 2 383.293 3.572 20 0 GHADLP CCc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)s1 ZINC001231502882 1034646564 /nfs/dbraw/zinc/64/65/64/1034646564.db2.gz CMBGXTFJAYGIRJ-MRXNPFEDSA-N 2 2 393.597 3.874 20 0 GHADLP CCc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)s1 ZINC001231502882 1034646569 /nfs/dbraw/zinc/64/65/69/1034646569.db2.gz CMBGXTFJAYGIRJ-MRXNPFEDSA-N 2 2 393.597 3.874 20 0 GHADLP CCN(CC)c1cc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)nc[nH+]1 ZINC001159561586 1034664230 /nfs/dbraw/zinc/66/42/30/1034664230.db2.gz HIMACFFZDDTITN-NSKBAKJYSA-N 2 2 379.552 3.955 20 0 GHADLP CCN(CC)c1cc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)[nH+]cn1 ZINC001159561586 1034664238 /nfs/dbraw/zinc/66/42/38/1034664238.db2.gz HIMACFFZDDTITN-NSKBAKJYSA-N 2 2 379.552 3.955 20 0 GHADLP CCOc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1OC(=O)C(C)C ZINC001231561800 1034713726 /nfs/dbraw/zinc/71/37/26/1034713726.db2.gz NSUPXOVJYNFVQJ-IBGZPJMESA-N 2 2 384.476 3.695 20 0 GHADLP CCOc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1OC(=O)C(C)C ZINC001231561800 1034713742 /nfs/dbraw/zinc/71/37/42/1034713742.db2.gz NSUPXOVJYNFVQJ-IBGZPJMESA-N 2 2 384.476 3.695 20 0 GHADLP CN(C)C(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(-c4ccccc4)o3)CC2)CC1 ZINC001231811387 1034923817 /nfs/dbraw/zinc/92/38/17/1034923817.db2.gz HKYJWUUDKMSMRR-UHFFFAOYSA-N 2 2 395.547 3.711 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4c3OCCO4)C[C@@H]21 ZINC001231885440 1034967674 /nfs/dbraw/zinc/96/76/74/1034967674.db2.gz MHNBPYGJDOCRQC-YUXAGFNASA-N 2 2 393.531 3.585 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4c3OCCO4)C[C@@H]21 ZINC001231885440 1034967675 /nfs/dbraw/zinc/96/76/75/1034967675.db2.gz MHNBPYGJDOCRQC-YUXAGFNASA-N 2 2 393.531 3.585 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4c3OCCO4)C[C@@H]21 ZINC001231885440 1034967681 /nfs/dbraw/zinc/96/76/81/1034967681.db2.gz MHNBPYGJDOCRQC-YUXAGFNASA-N 2 2 393.531 3.585 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4c3OCCO4)C[C@@H]21 ZINC001231885440 1034967686 /nfs/dbraw/zinc/96/76/86/1034967686.db2.gz MHNBPYGJDOCRQC-YUXAGFNASA-N 2 2 393.531 3.585 20 0 GHADLP C[C@H](C[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1)c1cccc2ccccc21 ZINC001208709314 1034988636 /nfs/dbraw/zinc/98/86/36/1034988636.db2.gz JEODOCGNWOAXGV-GOSISDBHSA-N 2 2 386.503 3.686 20 0 GHADLP C[C@H](C[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1)c1cccc2ccccc21 ZINC001208709314 1034988640 /nfs/dbraw/zinc/98/86/40/1034988640.db2.gz JEODOCGNWOAXGV-GOSISDBHSA-N 2 2 386.503 3.686 20 0 GHADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](CC1(c3ccccc3)CCCC1)C2 ZINC001208776113 1035015383 /nfs/dbraw/zinc/01/53/83/1035015383.db2.gz PDGGDMHXSRLBFG-UHFFFAOYSA-N 2 2 381.568 3.836 20 0 GHADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](CC1(c3ccccc3)CCCC1)C2 ZINC001208776113 1035015389 /nfs/dbraw/zinc/01/53/89/1035015389.db2.gz PDGGDMHXSRLBFG-UHFFFAOYSA-N 2 2 381.568 3.836 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](CC1(c3ccccc3)CCCC1)C2 ZINC001208776113 1035015400 /nfs/dbraw/zinc/01/54/00/1035015400.db2.gz PDGGDMHXSRLBFG-UHFFFAOYSA-N 2 2 381.568 3.836 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](CC1(c3ccccc3)CCCC1)C2 ZINC001208776113 1035015407 /nfs/dbraw/zinc/01/54/07/1035015407.db2.gz PDGGDMHXSRLBFG-UHFFFAOYSA-N 2 2 381.568 3.836 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCCCCOCc4ccccc4)C[C@@H]3C2)cn1 ZINC001208810278 1035032215 /nfs/dbraw/zinc/03/22/15/1035032215.db2.gz GIEVPFJFELIBOM-DNQXCXABSA-N 2 2 396.579 3.561 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCCCCOCc4ccccc4)C[C@@H]3C2)cn1 ZINC001208810278 1035032222 /nfs/dbraw/zinc/03/22/22/1035032222.db2.gz GIEVPFJFELIBOM-DNQXCXABSA-N 2 2 396.579 3.561 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCCCCOCc4ccccc4)C[C@@H]3C2)cn1 ZINC001208810278 1035032232 /nfs/dbraw/zinc/03/22/32/1035032232.db2.gz GIEVPFJFELIBOM-DNQXCXABSA-N 2 2 396.579 3.561 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCCCCOCc4ccccc4)C[C@@H]3C2)cn1 ZINC001208810278 1035032237 /nfs/dbraw/zinc/03/22/37/1035032237.db2.gz GIEVPFJFELIBOM-DNQXCXABSA-N 2 2 396.579 3.561 20 0 GHADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2c[nH]c3c2cccc3Br)CC1 ZINC001232021219 1035049512 /nfs/dbraw/zinc/04/95/12/1035049512.db2.gz DAXDWYGANAAQME-UHFFFAOYSA-N 2 2 385.309 3.956 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCCc3ccccc3Cl)CC2)C1 ZINC001208875531 1035072685 /nfs/dbraw/zinc/07/26/85/1035072685.db2.gz XKZCPJWTUWSQPX-GOSISDBHSA-N 2 2 378.944 3.622 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCCc3ccccc3Cl)CC2)C1 ZINC001208875531 1035072695 /nfs/dbraw/zinc/07/26/95/1035072695.db2.gz XKZCPJWTUWSQPX-GOSISDBHSA-N 2 2 378.944 3.622 20 0 GHADLP c1csc(C[NH+]2CC[C@@H]3C[N@H+](CC4CCN(c5ccccc5)CC4)CC[C@H]32)n1 ZINC001208908826 1035084650 /nfs/dbraw/zinc/08/46/50/1035084650.db2.gz VMXWDXBXKWNJBS-IFMALSPDSA-N 2 2 396.604 3.956 20 0 GHADLP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CCN(c5ccccc5)CC4)CC[C@H]32)n1 ZINC001208908826 1035084656 /nfs/dbraw/zinc/08/46/56/1035084656.db2.gz VMXWDXBXKWNJBS-IFMALSPDSA-N 2 2 396.604 3.956 20 0 GHADLP c1csc(C[N@H+]2CC[C@@H]3C[NH+](CC4CCN(c5ccccc5)CC4)CC[C@H]32)n1 ZINC001208908826 1035084662 /nfs/dbraw/zinc/08/46/62/1035084662.db2.gz VMXWDXBXKWNJBS-IFMALSPDSA-N 2 2 396.604 3.956 20 0 GHADLP c1csc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CCN(c5ccccc5)CC4)CC[C@H]32)n1 ZINC001208908826 1035084670 /nfs/dbraw/zinc/08/46/70/1035084670.db2.gz VMXWDXBXKWNJBS-IFMALSPDSA-N 2 2 396.604 3.956 20 0 GHADLP COc1cc2c(cc1OC)C[N@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208936207 1035103218 /nfs/dbraw/zinc/10/32/18/1035103218.db2.gz MNMJVSCVIIJEQQ-HXUWFJFHSA-N 2 2 380.532 3.974 20 0 GHADLP COc1cc2c(cc1OC)C[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208936207 1035103227 /nfs/dbraw/zinc/10/32/27/1035103227.db2.gz MNMJVSCVIIJEQQ-HXUWFJFHSA-N 2 2 380.532 3.974 20 0 GHADLP COc1cc2c(cc1OC)C[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208936207 1035103229 /nfs/dbraw/zinc/10/32/29/1035103229.db2.gz MNMJVSCVIIJEQQ-HXUWFJFHSA-N 2 2 380.532 3.974 20 0 GHADLP COc1cc2c(cc1OC)C[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208936207 1035103234 /nfs/dbraw/zinc/10/32/34/1035103234.db2.gz MNMJVSCVIIJEQQ-HXUWFJFHSA-N 2 2 380.532 3.974 20 0 GHADLP Clc1cccc(C[NH+]2CCN(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208950548 1035122209 /nfs/dbraw/zinc/12/22/09/1035122209.db2.gz UGETZFAHQINWHI-QFIPXVFZSA-N 2 2 383.967 3.980 20 0 GHADLP Clc1cccc(C[NH+]2CCN(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208950548 1035122212 /nfs/dbraw/zinc/12/22/12/1035122212.db2.gz UGETZFAHQINWHI-QFIPXVFZSA-N 2 2 383.967 3.980 20 0 GHADLP Clc1cccc(CN2CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208950548 1035122214 /nfs/dbraw/zinc/12/22/14/1035122214.db2.gz UGETZFAHQINWHI-QFIPXVFZSA-N 2 2 383.967 3.980 20 0 GHADLP Clc1cccc(CN2CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208950548 1035122216 /nfs/dbraw/zinc/12/22/16/1035122216.db2.gz UGETZFAHQINWHI-QFIPXVFZSA-N 2 2 383.967 3.980 20 0 GHADLP FC1(F)CN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@H]1[NH+]1CCCCC1 ZINC001208961455 1035133377 /nfs/dbraw/zinc/13/33/77/1035133377.db2.gz FWKKNHCSGWRSCJ-NHCUHLMSSA-N 2 2 377.523 3.704 20 0 GHADLP FC1(F)CN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@H]1[NH+]1CCCCC1 ZINC001208961455 1035133384 /nfs/dbraw/zinc/13/33/84/1035133384.db2.gz FWKKNHCSGWRSCJ-NHCUHLMSSA-N 2 2 377.523 3.704 20 0 GHADLP COc1ccc(F)cc1C[NH+]1CCC(Nc2nc(NC3CC3)c(C)c[nH+]2)CC1 ZINC001161151028 1035160016 /nfs/dbraw/zinc/16/00/16/1035160016.db2.gz NYTWTWFPJGFYRH-UHFFFAOYSA-N 2 2 385.487 3.584 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCc4c(Cl)cccc4Cl)C[C@H]3C2)cn1 ZINC001209107250 1035175455 /nfs/dbraw/zinc/17/54/55/1035175455.db2.gz FZQVWDXNHYTBMO-IAGOWNOFSA-N 2 2 393.362 3.723 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCc4c(Cl)cccc4Cl)C[C@H]3C2)cn1 ZINC001209107250 1035175461 /nfs/dbraw/zinc/17/54/61/1035175461.db2.gz FZQVWDXNHYTBMO-IAGOWNOFSA-N 2 2 393.362 3.723 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCc4c(Cl)cccc4Cl)C[C@H]3C2)cn1 ZINC001209107250 1035175462 /nfs/dbraw/zinc/17/54/62/1035175462.db2.gz FZQVWDXNHYTBMO-IAGOWNOFSA-N 2 2 393.362 3.723 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCc4c(Cl)cccc4Cl)C[C@H]3C2)cn1 ZINC001209107250 1035175466 /nfs/dbraw/zinc/17/54/66/1035175466.db2.gz FZQVWDXNHYTBMO-IAGOWNOFSA-N 2 2 393.362 3.723 20 0 GHADLP FC1(F)CC[N@H+](CCCc2ccncc2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001209184613 1035203596 /nfs/dbraw/zinc/20/35/96/1035203596.db2.gz CAOKTNXQPVBIKO-OAQYLSRUSA-N 2 2 386.490 3.643 20 0 GHADLP FC1(F)CC[N@@H+](CCCc2ccncc2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001209184613 1035203600 /nfs/dbraw/zinc/20/36/00/1035203600.db2.gz CAOKTNXQPVBIKO-OAQYLSRUSA-N 2 2 386.490 3.643 20 0 GHADLP FC1(F)CC[NH+](CCCc2ccncc2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001209184613 1035203603 /nfs/dbraw/zinc/20/36/03/1035203603.db2.gz CAOKTNXQPVBIKO-OAQYLSRUSA-N 2 2 386.490 3.643 20 0 GHADLP FC1(F)CC[NH+](CCCc2ccncc2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001209184613 1035203607 /nfs/dbraw/zinc/20/36/07/1035203607.db2.gz CAOKTNXQPVBIKO-OAQYLSRUSA-N 2 2 386.490 3.643 20 0 GHADLP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc([C@H]([NH3+])C3CCCCC3)n2)c1 ZINC001248240408 1035684881 /nfs/dbraw/zinc/68/48/81/1035684881.db2.gz KHNZJCFJDMRYQP-LJQANCHMSA-N 2 2 379.464 3.705 20 0 GHADLP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(Cl)ccc(F)c3F)(C1)CCC2 ZINC001278352768 1035960495 /nfs/dbraw/zinc/96/04/95/1035960495.db2.gz INEBEPKZZPEECW-MOPGFXCFSA-N 2 2 388.886 3.763 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(C(=O)N4CCCC4)cc3Cl)c2)C1 ZINC001243486276 1036166279 /nfs/dbraw/zinc/16/62/79/1036166279.db2.gz GTPCIBYHMRRRDP-LJQANCHMSA-N 2 2 383.923 3.776 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(C(=O)N4CCCC4)cc3Cl)c2)C1 ZINC001243486276 1036166286 /nfs/dbraw/zinc/16/62/86/1036166286.db2.gz GTPCIBYHMRRRDP-LJQANCHMSA-N 2 2 383.923 3.776 20 0 GHADLP CCOC(=O)C[C@@]1([NH2+][C@@H](C)CC(c2ccccc2)c2ccccc2)CC[NH2+]C1 ZINC001246126017 1037204338 /nfs/dbraw/zinc/20/43/38/1037204338.db2.gz JUBYDCKHJJEIGZ-CYFREDJKSA-N 2 2 380.532 3.872 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001246192007 1037232084 /nfs/dbraw/zinc/23/20/84/1037232084.db2.gz XTCVZSKFUDSQBU-KMRPREKFSA-N 3 2 377.576 3.992 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246192007 1037232095 /nfs/dbraw/zinc/23/20/95/1037232095.db2.gz XTCVZSKFUDSQBU-KMRPREKFSA-N 3 2 377.576 3.992 20 0 GHADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246202922 1037235685 /nfs/dbraw/zinc/23/56/85/1037235685.db2.gz PFWSQEMQXPPPEP-YOEHRIQHSA-N 2 2 399.373 3.809 20 0 GHADLP CC[C@H]1CC([NH2+]Cc2ccc(Br)cc2C(=O)OC)C[C@H](CC)[NH2+]1 ZINC001246278003 1037272551 /nfs/dbraw/zinc/27/25/51/1037272551.db2.gz JGVGSUQKVVDZCE-GJZGRUSLSA-N 2 2 383.330 3.635 20 0 GHADLP Fc1cccc(CC2([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC[NH2+]CC2)c1 ZINC001246455164 1037415831 /nfs/dbraw/zinc/41/58/31/1037415831.db2.gz HBTOWUBAZBRQCX-UHFFFAOYSA-N 3 2 395.566 3.787 20 0 GHADLP CC1([NH2+][C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001246468540 1037421013 /nfs/dbraw/zinc/42/10/13/1037421013.db2.gz YPUPNCATLFFXQB-ZEQRLZLVSA-N 3 2 377.576 3.994 20 0 GHADLP COc1cc(NC(=O)C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc2ccccc21 ZINC001246487278 1037432250 /nfs/dbraw/zinc/43/22/50/1037432250.db2.gz KVYRGGOSMKETSR-SIKLNZKXSA-N 2 2 389.499 3.870 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246505374 1037445705 /nfs/dbraw/zinc/44/57/05/1037445705.db2.gz VHFBUJPYBWESEA-YFJHUXEUSA-N 3 2 377.576 3.850 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246505374 1037445750 /nfs/dbraw/zinc/44/57/50/1037445750.db2.gz VHFBUJPYBWESEA-YFJHUXEUSA-N 3 2 377.576 3.850 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246622192 1037512971 /nfs/dbraw/zinc/51/29/71/1037512971.db2.gz XVKNUTUBEPHWPK-JTHBVZDNSA-N 3 2 387.612 3.910 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246622192 1037512983 /nfs/dbraw/zinc/51/29/83/1037512983.db2.gz XVKNUTUBEPHWPK-JTHBVZDNSA-N 3 2 387.612 3.910 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2C[C@H]3c4ccccc4CN[C@@H]3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246662426 1037533873 /nfs/dbraw/zinc/53/38/73/1037533873.db2.gz IZIDUDXXSGLTKX-XSTDGIKWSA-N 2 2 375.560 3.999 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2C[C@H]3c4ccccc4CN[C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246662426 1037533887 /nfs/dbraw/zinc/53/38/87/1037533887.db2.gz IZIDUDXXSGLTKX-XSTDGIKWSA-N 2 2 375.560 3.999 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3c4ccccc4CN[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246662426 1037533897 /nfs/dbraw/zinc/53/38/97/1037533897.db2.gz IZIDUDXXSGLTKX-XSTDGIKWSA-N 2 2 375.560 3.999 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3c4ccccc4CN[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246662426 1037533910 /nfs/dbraw/zinc/53/39/10/1037533910.db2.gz IZIDUDXXSGLTKX-XSTDGIKWSA-N 2 2 375.560 3.999 20 0 GHADLP Fc1cccc(-c2ccc3nc(C4CC[NH+]([C@H]5CCCC[NH2+]C5)CC4)nn3c2)c1 ZINC001246708431 1037561337 /nfs/dbraw/zinc/56/13/37/1037561337.db2.gz JYQXMWJYUHMYOX-NRFANRHFSA-N 2 2 393.510 3.857 20 0 GHADLP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)C[C@H](CC)[NH2+]1 ZINC001246751545 1037590706 /nfs/dbraw/zinc/59/07/06/1037590706.db2.gz HUXPAKOJTIQZNX-QRKMNUTDSA-N 2 2 375.582 3.876 20 0 GHADLP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)C[C@H](CC)[NH2+]1 ZINC001246751545 1037590713 /nfs/dbraw/zinc/59/07/13/1037590713.db2.gz HUXPAKOJTIQZNX-QRKMNUTDSA-N 2 2 375.582 3.876 20 0 GHADLP CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246780772 1037621550 /nfs/dbraw/zinc/62/15/50/1037621550.db2.gz DHSSRUCZJAXCIE-OALUTQOASA-N 2 2 394.401 3.733 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCN(C3=Nc4ccccc4Sc4ccccc43)CC2)CC[NH2+]1 ZINC001246792245 1037631478 /nfs/dbraw/zinc/63/14/78/1037631478.db2.gz OXTGFRHMIHZAIU-ROUUACIJSA-N 2 2 392.572 3.988 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([NH+]2CCN(c3cc(Cl)ccn3)CC2)CC[NH2+]1 ZINC001246813603 1037647380 /nfs/dbraw/zinc/64/73/80/1037647380.db2.gz KJRDTBYSSVJLOA-UYAOXDASSA-N 2 2 388.918 3.798 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)CC[NH2+]1 ZINC001246852167 1037677497 /nfs/dbraw/zinc/67/74/97/1037677497.db2.gz NNTDHFWYKPZHCG-ICSRJNTNSA-N 2 2 388.918 3.798 20 0 GHADLP COc1cc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)ccc1Cl ZINC001246891825 1037707002 /nfs/dbraw/zinc/70/70/02/1037707002.db2.gz YMBRKWRODKRHQS-TZIWHRDSSA-N 2 2 385.939 3.964 20 0 GHADLP CC1(C)c2nc(-c3ccc(F)cc3)cn2CC[N@@H+]1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246897403 1037711758 /nfs/dbraw/zinc/71/17/58/1037711758.db2.gz SLAVBBVVIQNCNL-UHFFFAOYSA-N 2 2 398.526 3.541 20 0 GHADLP CC1(C)c2nc(-c3ccc(F)cc3)cn2CC[N@H+]1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246897403 1037711773 /nfs/dbraw/zinc/71/17/73/1037711773.db2.gz SLAVBBVVIQNCNL-UHFFFAOYSA-N 2 2 398.526 3.541 20 0 GHADLP CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246925056 1037730563 /nfs/dbraw/zinc/73/05/63/1037730563.db2.gz LHJSINMYSYMCMY-HKUYNNGSSA-N 2 2 399.501 3.870 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1)C2 ZINC001246939298 1037745044 /nfs/dbraw/zinc/74/50/44/1037745044.db2.gz UMRYDTWDQYBLKJ-PLACYPQZSA-N 2 2 389.515 3.532 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1)C2 ZINC001246939298 1037745060 /nfs/dbraw/zinc/74/50/60/1037745060.db2.gz UMRYDTWDQYBLKJ-PLACYPQZSA-N 2 2 389.515 3.532 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@@H]([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246964717 1037787806 /nfs/dbraw/zinc/78/78/06/1037787806.db2.gz MTANCKGTJCHLTF-DOTOQJQBSA-N 2 2 380.479 3.641 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246964717 1037787823 /nfs/dbraw/zinc/78/78/23/1037787823.db2.gz MTANCKGTJCHLTF-DOTOQJQBSA-N 2 2 380.479 3.641 20 0 GHADLP CC[N@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246974830 1037799738 /nfs/dbraw/zinc/79/97/38/1037799738.db2.gz JZUIABORWACYFW-CCDWMCETSA-N 2 2 393.575 3.703 20 0 GHADLP CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246974830 1037799758 /nfs/dbraw/zinc/79/97/58/1037799758.db2.gz JZUIABORWACYFW-CCDWMCETSA-N 2 2 393.575 3.703 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)n1 ZINC001246975449 1037800909 /nfs/dbraw/zinc/80/09/09/1037800909.db2.gz UBUCWKRJRXKMSE-ZVDOUQERSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)n1 ZINC001246975449 1037800931 /nfs/dbraw/zinc/80/09/31/1037800931.db2.gz UBUCWKRJRXKMSE-ZVDOUQERSA-N 2 2 384.499 3.569 20 0 GHADLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3ccc(Cl)s3)cn2)CC1 ZINC001232365758 1038142376 /nfs/dbraw/zinc/14/23/76/1038142376.db2.gz IZWNYHXVMCJWNQ-MRXNPFEDSA-N 2 2 376.957 3.885 20 0 GHADLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3ccc(Cl)s3)cn2)CC1 ZINC001232365758 1038142389 /nfs/dbraw/zinc/14/23/89/1038142389.db2.gz IZWNYHXVMCJWNQ-MRXNPFEDSA-N 2 2 376.957 3.885 20 0 GHADLP Cc1cc(Br)c(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1F ZINC001232468008 1038252364 /nfs/dbraw/zinc/25/23/64/1038252364.db2.gz YBNQMPOLEOZOAJ-UHFFFAOYSA-N 2 2 384.293 3.527 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc(C)c1Br ZINC001232521412 1038284775 /nfs/dbraw/zinc/28/47/75/1038284775.db2.gz SFDXYVCTXICUQG-UHFFFAOYSA-N 2 2 380.330 3.696 20 0 GHADLP FC(F)(F)[C@H]1CC[C@@H](c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)[NH2+]C1 ZINC001247763492 1038369453 /nfs/dbraw/zinc/36/94/53/1038369453.db2.gz VSYNWRDIQHTCLJ-LBXBEFBNSA-N 2 2 393.413 3.801 20 0 GHADLP COc1cccc(C)c1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001232622739 1038410960 /nfs/dbraw/zinc/41/09/60/1038410960.db2.gz UQILQAVCNCCLTF-URVUXULASA-N 2 2 382.552 3.574 20 0 GHADLP COc1cccc(C)c1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001232622739 1038410965 /nfs/dbraw/zinc/41/09/65/1038410965.db2.gz UQILQAVCNCCLTF-URVUXULASA-N 2 2 382.552 3.574 20 0 GHADLP COc1cccc(C)c1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001232622739 1038410973 /nfs/dbraw/zinc/41/09/73/1038410973.db2.gz UQILQAVCNCCLTF-URVUXULASA-N 2 2 382.552 3.574 20 0 GHADLP COc1cccc(C)c1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001232622739 1038410978 /nfs/dbraw/zinc/41/09/78/1038410978.db2.gz UQILQAVCNCCLTF-URVUXULASA-N 2 2 382.552 3.574 20 0 GHADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001232766210 1038542696 /nfs/dbraw/zinc/54/26/96/1038542696.db2.gz AOEWTDZPNZSRKC-UHFFFAOYSA-N 2 2 393.597 3.959 20 0 GHADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001232766210 1038542704 /nfs/dbraw/zinc/54/27/04/1038542704.db2.gz AOEWTDZPNZSRKC-UHFFFAOYSA-N 2 2 393.597 3.959 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2c[nH]c4cc(Cl)ncc24)CC3)cn1 ZINC001232819969 1038574659 /nfs/dbraw/zinc/57/46/59/1038574659.db2.gz HVXYJSLVXPEARW-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2c[nH]c4cc(Cl)ncc24)CC3)cn1 ZINC001232819969 1038574664 /nfs/dbraw/zinc/57/46/64/1038574664.db2.gz HVXYJSLVXPEARW-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1ccc(-c3cccc(C)c3)cc1)CC2 ZINC001233222141 1038982289 /nfs/dbraw/zinc/98/22/89/1038982289.db2.gz IQKVKHVCUCFXMC-UHFFFAOYSA-N 2 2 391.559 3.838 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1ccc(-c3cccc(C)c3)cc1)CC2 ZINC001233222141 1038982291 /nfs/dbraw/zinc/98/22/91/1038982291.db2.gz IQKVKHVCUCFXMC-UHFFFAOYSA-N 2 2 391.559 3.838 20 0 GHADLP O=C(c1ccsc1)N1CCC2(CC1)CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC001233362059 1039189614 /nfs/dbraw/zinc/18/96/14/1039189614.db2.gz NJXHZEKRUCSBIQ-UHFFFAOYSA-N 2 2 394.544 3.914 20 0 GHADLP Cc1ccccc1[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC001252917518 1039256542 /nfs/dbraw/zinc/25/65/42/1039256542.db2.gz SZNIDLXUOVEZSY-RPBOFIJWSA-N 2 2 387.527 3.706 20 0 GHADLP Cc1ccccc1[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC001252917518 1039256553 /nfs/dbraw/zinc/25/65/53/1039256553.db2.gz SZNIDLXUOVEZSY-RPBOFIJWSA-N 2 2 387.527 3.706 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cccc(C(F)(F)F)c2F)CC[N@H+](Cc2ccccc2)C1 ZINC001252943367 1039288457 /nfs/dbraw/zinc/28/84/57/1039288457.db2.gz KABKTJJKKSBJDC-LJQANCHMSA-N 2 2 382.401 3.571 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cccc(C(F)(F)F)c2F)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943367 1039288471 /nfs/dbraw/zinc/28/84/71/1039288471.db2.gz KABKTJJKKSBJDC-LJQANCHMSA-N 2 2 382.401 3.571 20 0 GHADLP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC001252945307 1039290086 /nfs/dbraw/zinc/29/00/86/1039290086.db2.gz BIVNBKCIZPKVNU-FQEVSTJZSA-N 2 2 378.438 3.740 20 0 GHADLP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC001252945307 1039290098 /nfs/dbraw/zinc/29/00/98/1039290098.db2.gz BIVNBKCIZPKVNU-FQEVSTJZSA-N 2 2 378.438 3.740 20 0 GHADLP C[NH+]1CC(C[NH2+]C[C@@H](O)c2cc(Cl)cc3c2-c2ccc(Cl)cc2C3)C1 ZINC001253086479 1039415304 /nfs/dbraw/zinc/41/53/04/1039415304.db2.gz GDVAVDQFIFNGKT-LJQANCHMSA-N 2 2 377.315 3.749 20 0 GHADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC001253377602 1039587807 /nfs/dbraw/zinc/58/78/07/1039587807.db2.gz VDGMOXUUUSZQLS-NRFANRHFSA-N 2 2 378.438 3.700 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)ccc1-n1cc[nH+]c1 ZINC001234057372 1039790201 /nfs/dbraw/zinc/79/02/01/1039790201.db2.gz AFNRFNTUJBXESP-KRWDZBQOSA-N 2 2 385.414 3.812 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)ccc1-n1cc[nH+]c1 ZINC001234057372 1039790221 /nfs/dbraw/zinc/79/02/21/1039790221.db2.gz AFNRFNTUJBXESP-KRWDZBQOSA-N 2 2 385.414 3.812 20 0 GHADLP COc1ccccc1O[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)C1 ZINC001234058752 1039792310 /nfs/dbraw/zinc/79/23/10/1039792310.db2.gz NGPXHNDAYRMBQU-SFHVURJKSA-N 2 2 379.460 3.543 20 0 GHADLP COc1ccccc1O[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)C1 ZINC001234058752 1039792327 /nfs/dbraw/zinc/79/23/27/1039792327.db2.gz NGPXHNDAYRMBQU-SFHVURJKSA-N 2 2 379.460 3.543 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001234147677 1039885709 /nfs/dbraw/zinc/88/57/09/1039885709.db2.gz FOEZMLPSJXHABP-HKUYNNGSSA-N 2 2 387.572 3.544 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC001234147677 1039885731 /nfs/dbraw/zinc/88/57/31/1039885731.db2.gz FOEZMLPSJXHABP-HKUYNNGSSA-N 2 2 387.572 3.544 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001462427544 1070245739 /nfs/dbraw/zinc/24/57/39/1070245739.db2.gz KMWZCYDCIRTAIY-QZTJIDSGSA-N 2 2 379.976 3.787 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C12CCC2 ZINC001462437355 1070252794 /nfs/dbraw/zinc/25/27/94/1070252794.db2.gz FQEAUJLDQLUYCP-RTBURBONSA-N 2 2 377.573 3.915 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C12CCC2 ZINC001462437355 1070252804 /nfs/dbraw/zinc/25/28/04/1070252804.db2.gz FQEAUJLDQLUYCP-RTBURBONSA-N 2 2 377.573 3.915 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001254495405 1040281691 /nfs/dbraw/zinc/28/16/91/1040281691.db2.gz VYIDGGPRGPGPEU-FQEVSTJZSA-N 2 2 378.524 3.530 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001254495405 1040281709 /nfs/dbraw/zinc/28/17/09/1040281709.db2.gz VYIDGGPRGPGPEU-FQEVSTJZSA-N 2 2 378.524 3.530 20 0 GHADLP CCN1CCc2ccc(C[N@@H+]3CCc4ccc(OC)cc4C34CC[NH2+]CC4)cc21 ZINC001235024600 1040515360 /nfs/dbraw/zinc/51/53/60/1040515360.db2.gz OSCVEDWKVNKOFZ-UHFFFAOYSA-N 2 2 391.559 3.715 20 0 GHADLP CCN1CCc2ccc(C[N@H+]3CCc4ccc(OC)cc4C34CC[NH2+]CC4)cc21 ZINC001235024600 1040515380 /nfs/dbraw/zinc/51/53/80/1040515380.db2.gz OSCVEDWKVNKOFZ-UHFFFAOYSA-N 2 2 391.559 3.715 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([NH2+][C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254839564 1040585542 /nfs/dbraw/zinc/58/55/42/1040585542.db2.gz SQJKRPXCZLAQGI-KNKQGSTJSA-N 2 2 377.573 3.630 20 0 GHADLP FC(F)(F)c1ccc(C2(C[NH2+][C@@H]3CC4CC[NH+](CC4)C3)CCOCC2)cc1 ZINC001254843111 1040586842 /nfs/dbraw/zinc/58/68/42/1040586842.db2.gz FRURFQCGLPAXEV-LJQANCHMSA-N 2 2 382.470 3.828 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254856549 1040601883 /nfs/dbraw/zinc/60/18/83/1040601883.db2.gz VLVNZJCXBQFMNI-KNQAVFIVSA-N 2 2 377.573 3.584 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254856549 1040601900 /nfs/dbraw/zinc/60/19/00/1040601900.db2.gz VLVNZJCXBQFMNI-KNQAVFIVSA-N 2 2 377.573 3.584 20 0 GHADLP Brc1ccc2cc(C[N@@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)ccc2c1 ZINC001235121955 1040614933 /nfs/dbraw/zinc/61/49/33/1040614933.db2.gz WSKUNLGJWFDOLQ-LJQANCHMSA-N 2 2 375.310 3.557 20 0 GHADLP Brc1ccc2cc(C[N@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)ccc2c1 ZINC001235121955 1040614942 /nfs/dbraw/zinc/61/49/42/1040614942.db2.gz WSKUNLGJWFDOLQ-LJQANCHMSA-N 2 2 375.310 3.557 20 0 GHADLP c1ccc(C[NH+]2CCCC3(CCCC[N@@H+](C[C@H]4C[NH2+]CCO4)C3)CCC2)cc1 ZINC001235174276 1040665905 /nfs/dbraw/zinc/66/59/05/1040665905.db2.gz GRWFYVHKOYEUCB-HSZRJFAPSA-N 3 2 385.596 3.523 20 0 GHADLP c1ccc(C[NH+]2CCCC3(CCCC[N@H+](C[C@H]4C[NH2+]CCO4)C3)CCC2)cc1 ZINC001235174276 1040665908 /nfs/dbraw/zinc/66/59/08/1040665908.db2.gz GRWFYVHKOYEUCB-HSZRJFAPSA-N 3 2 385.596 3.523 20 0 GHADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001235240707 1040723468 /nfs/dbraw/zinc/72/34/68/1040723468.db2.gz ZAZHEAWWRRRDBC-VXKWHMMOSA-N 2 2 395.551 3.721 20 0 GHADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001235240707 1040723485 /nfs/dbraw/zinc/72/34/85/1040723485.db2.gz ZAZHEAWWRRRDBC-VXKWHMMOSA-N 2 2 395.551 3.721 20 0 GHADLP FC(F)(F)Oc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC001235270972 1040749122 /nfs/dbraw/zinc/74/91/22/1040749122.db2.gz OEFUEIPFLFDFIN-DOTOQJQBSA-N 2 2 377.410 3.831 20 0 GHADLP FC(F)(F)Oc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC001235270972 1040749136 /nfs/dbraw/zinc/74/91/36/1040749136.db2.gz OEFUEIPFLFDFIN-DOTOQJQBSA-N 2 2 377.410 3.831 20 0 GHADLP Clc1cc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc2c1OCO2 ZINC001235365563 1040856220 /nfs/dbraw/zinc/85/62/20/1040856220.db2.gz OCNNDEOWEVPGKA-XMSQKQJNSA-N 2 2 384.907 3.822 20 0 GHADLP Clc1cc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc2c1OCO2 ZINC001235365563 1040856231 /nfs/dbraw/zinc/85/62/31/1040856231.db2.gz OCNNDEOWEVPGKA-XMSQKQJNSA-N 2 2 384.907 3.822 20 0 GHADLP Nc1cc(Br)ccc1C[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235380894 1040900802 /nfs/dbraw/zinc/90/08/02/1040900802.db2.gz RDUNLQHPDFVZCU-QUCCMNQESA-N 2 2 386.337 3.610 20 0 GHADLP Nc1cc(Br)ccc1C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235380894 1040900810 /nfs/dbraw/zinc/90/08/10/1040900810.db2.gz RDUNLQHPDFVZCU-QUCCMNQESA-N 2 2 386.337 3.610 20 0 GHADLP Cc1ccc(Br)c(C[N@H+]2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)c1Cl ZINC001235409068 1040919562 /nfs/dbraw/zinc/91/95/62/1040919562.db2.gz VTBNCSGPKGKEDR-YPMHNXCESA-N 2 2 375.713 3.920 20 0 GHADLP Cc1ccc(Br)c(C[N@@H+]2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)c1Cl ZINC001235409068 1040919567 /nfs/dbraw/zinc/91/95/67/1040919567.db2.gz VTBNCSGPKGKEDR-YPMHNXCESA-N 2 2 375.713 3.920 20 0 GHADLP COc1cncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001235467083 1040951435 /nfs/dbraw/zinc/95/14/35/1040951435.db2.gz VBQAWCIULXXXLX-BWAGFHJFSA-N 2 2 380.536 3.526 20 0 GHADLP COc1cncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001235467083 1040951446 /nfs/dbraw/zinc/95/14/46/1040951446.db2.gz VBQAWCIULXXXLX-BWAGFHJFSA-N 2 2 380.536 3.526 20 0 GHADLP COc1cncc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001235467083 1040951448 /nfs/dbraw/zinc/95/14/48/1040951448.db2.gz VBQAWCIULXXXLX-BWAGFHJFSA-N 2 2 380.536 3.526 20 0 GHADLP COc1cncc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001235467083 1040951452 /nfs/dbraw/zinc/95/14/52/1040951452.db2.gz VBQAWCIULXXXLX-BWAGFHJFSA-N 2 2 380.536 3.526 20 0 GHADLP CC(C)[N@H+](Cc1cccc(I)c1F)C1CC[NH+](C)CC1 ZINC001235480776 1040955152 /nfs/dbraw/zinc/95/51/52/1040955152.db2.gz ICVYCZLRTOKSPR-UHFFFAOYSA-N 2 2 390.284 3.735 20 0 GHADLP CC(C)[N@@H+](Cc1cccc(I)c1F)C1CC[NH+](C)CC1 ZINC001235480776 1040955154 /nfs/dbraw/zinc/95/51/54/1040955154.db2.gz ICVYCZLRTOKSPR-UHFFFAOYSA-N 2 2 390.284 3.735 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)C1 ZINC001255350503 1040956428 /nfs/dbraw/zinc/95/64/28/1040956428.db2.gz UUEHGLXMQGKCJZ-YLJYHZDGSA-N 2 2 376.516 3.810 20 0 GHADLP Cc1ccnc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)c1Cl ZINC001235581493 1040997038 /nfs/dbraw/zinc/99/70/38/1040997038.db2.gz VWKXFWWVNFDEHE-KRWDZBQOSA-N 2 2 389.927 3.892 20 0 GHADLP Cc1ccnc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1Cl ZINC001235581493 1040997045 /nfs/dbraw/zinc/99/70/45/1040997045.db2.gz VWKXFWWVNFDEHE-KRWDZBQOSA-N 2 2 389.927 3.892 20 0 GHADLP C[C@@H]1CN(C(=O)c2ccccc2)CC[N@@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255410507 1041004038 /nfs/dbraw/zinc/00/40/38/1041004038.db2.gz XYEVVRSWOAGOQE-QPPBQGQZSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@@H]1CN(C(=O)c2ccccc2)CC[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255410507 1041004062 /nfs/dbraw/zinc/00/40/62/1041004062.db2.gz XYEVVRSWOAGOQE-QPPBQGQZSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@@H]1CN(C(=O)c2ccccc2)CC[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255410507 1041004075 /nfs/dbraw/zinc/00/40/75/1041004075.db2.gz XYEVVRSWOAGOQE-QPPBQGQZSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@@H]1CN(C(=O)c2ccccc2)CC[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255410507 1041004098 /nfs/dbraw/zinc/00/40/98/1041004098.db2.gz XYEVVRSWOAGOQE-QPPBQGQZSA-N 2 2 391.559 3.888 20 0 GHADLP O=C(C[C@H]1CC2(CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)c2ccccc21)NC1CCC1 ZINC001235598331 1041011504 /nfs/dbraw/zinc/01/15/04/1041011504.db2.gz XMNZZYCVUYHVHP-FPOVZHCZSA-N 2 2 395.591 3.708 20 0 GHADLP c1cc(-c2ccc3c(C4C[NH+](Cc5cc6c(s5)C[NH2+]CC6)C4)[nH+]cn3c2)co1 ZINC001235658129 1041104837 /nfs/dbraw/zinc/10/48/37/1041104837.db2.gz UHWKZYJHXRKYOR-UHFFFAOYSA-N 3 2 390.512 3.901 20 0 GHADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@@H]3[C@H](C)C[NH2+]CC3(F)F)C[C@@H]21 ZINC001235659196 1041109383 /nfs/dbraw/zinc/10/93/83/1041109383.db2.gz CXVXJEUNYACOAU-JUHPOPGZSA-N 3 2 377.523 3.588 20 0 GHADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@@H]3[C@H](C)C[NH2+]CC3(F)F)C[C@@H]21 ZINC001235659196 1041109395 /nfs/dbraw/zinc/10/93/95/1041109395.db2.gz CXVXJEUNYACOAU-JUHPOPGZSA-N 3 2 377.523 3.588 20 0 GHADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@@H]3[C@H](C)C[NH2+]CC3(F)F)C[C@@H]21 ZINC001235659196 1041109402 /nfs/dbraw/zinc/10/94/02/1041109402.db2.gz CXVXJEUNYACOAU-JUHPOPGZSA-N 3 2 377.523 3.588 20 0 GHADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@@H]3[C@H](C)C[NH2+]CC3(F)F)C[C@@H]21 ZINC001235659196 1041109407 /nfs/dbraw/zinc/10/94/07/1041109407.db2.gz CXVXJEUNYACOAU-JUHPOPGZSA-N 3 2 377.523 3.588 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCC[NH2+]C3CCCCC3)C[C@@H]21 ZINC001235659870 1041111767 /nfs/dbraw/zinc/11/17/67/1041111767.db2.gz BZVFULGLKIOQBM-NKKJXINNSA-N 3 2 384.612 3.926 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCC[NH2+]C3CCCCC3)C[C@@H]21 ZINC001235659870 1041111776 /nfs/dbraw/zinc/11/17/76/1041111776.db2.gz BZVFULGLKIOQBM-NKKJXINNSA-N 3 2 384.612 3.926 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CCC[NH2+]C3CCCCC3)C[C@@H]21 ZINC001235659870 1041111785 /nfs/dbraw/zinc/11/17/85/1041111785.db2.gz BZVFULGLKIOQBM-NKKJXINNSA-N 3 2 384.612 3.926 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CCC[NH2+]C3CCCCC3)C[C@@H]21 ZINC001235659870 1041111795 /nfs/dbraw/zinc/11/17/95/1041111795.db2.gz BZVFULGLKIOQBM-NKKJXINNSA-N 3 2 384.612 3.926 20 0 GHADLP Clc1cc(OCc2ccccc2)ccc1CN1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001235704042 1041185529 /nfs/dbraw/zinc/18/55/29/1041185529.db2.gz XKCJXUCEUMRRQM-UHFFFAOYSA-N 2 2 399.966 3.789 20 0 GHADLP C[C@H](CC(F)(F)F)[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001255653416 1041193650 /nfs/dbraw/zinc/19/36/50/1041193650.db2.gz ONBRMPFNLMZVNJ-ZBFHGGJFSA-N 2 2 377.401 3.956 20 0 GHADLP C[C@H](CC(F)(F)F)[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001255653416 1041193655 /nfs/dbraw/zinc/19/36/55/1041193655.db2.gz ONBRMPFNLMZVNJ-ZBFHGGJFSA-N 2 2 377.401 3.956 20 0 GHADLP C[C@H](CC(F)(F)F)[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001255653416 1041193660 /nfs/dbraw/zinc/19/36/60/1041193660.db2.gz ONBRMPFNLMZVNJ-ZBFHGGJFSA-N 2 2 377.401 3.956 20 0 GHADLP C[C@H](CC(F)(F)F)[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001255653416 1041193661 /nfs/dbraw/zinc/19/36/61/1041193661.db2.gz ONBRMPFNLMZVNJ-ZBFHGGJFSA-N 2 2 377.401 3.956 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+]([C@@H](C)Cc4ccc(C)cc4)CC[C@@H]3C2)cs1 ZINC001255792555 1041303012 /nfs/dbraw/zinc/30/30/12/1041303012.db2.gz WQQVWCVYLVVKMB-QTGUNEKASA-N 2 2 399.604 3.914 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@@H](C)Cc4ccc(C)cc4)CC[C@@H]3C2)cs1 ZINC001255792555 1041303032 /nfs/dbraw/zinc/30/30/32/1041303032.db2.gz WQQVWCVYLVVKMB-QTGUNEKASA-N 2 2 399.604 3.914 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@@H](C)Cc4ccc(C)cc4)CC[C@@H]3C2)cs1 ZINC001255792555 1041303044 /nfs/dbraw/zinc/30/30/44/1041303044.db2.gz WQQVWCVYLVVKMB-QTGUNEKASA-N 2 2 399.604 3.914 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+]([C@@H](C)Cc4ccc(C)cc4)CC[C@@H]3C2)cs1 ZINC001255792555 1041303054 /nfs/dbraw/zinc/30/30/54/1041303054.db2.gz WQQVWCVYLVVKMB-QTGUNEKASA-N 2 2 399.604 3.914 20 0 GHADLP COCCC[N@H+](Cc1c[nH]c2cccc(Br)c12)[C@@H]1CCC[NH2+]C1 ZINC001235806057 1041314425 /nfs/dbraw/zinc/31/44/25/1041314425.db2.gz IJTMDOFJZLYSKC-OAHLLOKOSA-N 2 2 380.330 3.521 20 0 GHADLP COCCC[N@@H+](Cc1c[nH]c2cccc(Br)c12)[C@@H]1CCC[NH2+]C1 ZINC001235806057 1041314443 /nfs/dbraw/zinc/31/44/43/1041314443.db2.gz IJTMDOFJZLYSKC-OAHLLOKOSA-N 2 2 380.330 3.521 20 0 GHADLP COCCC[N@H+](Cc1c[nH]c2cc(F)c(Br)cc12)[C@H]1CCC[NH2+]C1 ZINC001235809505 1041320446 /nfs/dbraw/zinc/32/04/46/1041320446.db2.gz KIWBGLGYOGMCHB-AWEZNQCLSA-N 2 2 398.320 3.660 20 0 GHADLP COCCC[N@@H+](Cc1c[nH]c2cc(F)c(Br)cc12)[C@H]1CCC[NH2+]C1 ZINC001235809505 1041320461 /nfs/dbraw/zinc/32/04/61/1041320461.db2.gz KIWBGLGYOGMCHB-AWEZNQCLSA-N 2 2 398.320 3.660 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235841692 1041368411 /nfs/dbraw/zinc/36/84/11/1041368411.db2.gz HMARSGICCIOFSM-LLVKDONJSA-N 2 2 384.307 3.693 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235841692 1041368426 /nfs/dbraw/zinc/36/84/26/1041368426.db2.gz HMARSGICCIOFSM-LLVKDONJSA-N 2 2 384.307 3.693 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](CC(=O)OC)c1ccc(Br)cc1 ZINC001255955331 1041434812 /nfs/dbraw/zinc/43/48/12/1041434812.db2.gz QWXSGRPPVSLGEV-PBHICJAKSA-N 2 2 385.346 3.763 20 0 GHADLP CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@H+](C)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236089526 1041527261 /nfs/dbraw/zinc/52/72/61/1041527261.db2.gz AOMRECIDLPFFDU-NEWSRXKRSA-N 2 2 382.495 3.567 20 0 GHADLP CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@@H+](C)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236089526 1041527270 /nfs/dbraw/zinc/52/72/70/1041527270.db2.gz AOMRECIDLPFFDU-NEWSRXKRSA-N 2 2 382.495 3.567 20 0 GHADLP NC(=O)C1([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001256110172 1041534798 /nfs/dbraw/zinc/53/47/98/1041534798.db2.gz WIQIQTPPHMMIKE-GOTSBHOMSA-N 2 2 391.559 3.823 20 0 GHADLP c1ccc([C@H]2CCC[C@@H]([NH+]3CCN(c4cc[nH+]c(N5CCCC5)n4)CC3)C2)cc1 ZINC001256120726 1041554478 /nfs/dbraw/zinc/55/44/78/1041554478.db2.gz JNBNERXLAWUGIO-FCHUYYIVSA-N 2 2 391.563 3.925 20 0 GHADLP COC(=O)[C@H]1C[N@H+](Cc2ccc(-c3cc(Cl)ccc3Cl)o2)CC[C@@H]1[NH3+] ZINC001236411470 1041705826 /nfs/dbraw/zinc/70/58/26/1041705826.db2.gz MTPNZULIDSTYEU-HOCLYGCPSA-N 2 2 383.275 3.576 20 0 GHADLP COC(=O)[C@H]1C[N@@H+](Cc2ccc(-c3cc(Cl)ccc3Cl)o2)CC[C@@H]1[NH3+] ZINC001236411470 1041705834 /nfs/dbraw/zinc/70/58/34/1041705834.db2.gz MTPNZULIDSTYEU-HOCLYGCPSA-N 2 2 383.275 3.576 20 0 GHADLP C[N@H+](Cc1ccc(OCc2ccccc2)cc1C(F)(F)F)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412887 1041706259 /nfs/dbraw/zinc/70/62/59/1041706259.db2.gz XHNPAWSUIGGNGM-RUYXUALKSA-N 2 2 376.422 3.934 20 0 GHADLP C[N@@H+](Cc1ccc(OCc2ccccc2)cc1C(F)(F)F)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412887 1041706271 /nfs/dbraw/zinc/70/62/71/1041706271.db2.gz XHNPAWSUIGGNGM-RUYXUALKSA-N 2 2 376.422 3.934 20 0 GHADLP C[C@]12C[NH+](Cc3ccccc3OCCCCO)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001462563537 1070368319 /nfs/dbraw/zinc/36/83/19/1070368319.db2.gz ICOHKDMQPCSFSU-NOZRDPDXSA-N 2 2 394.559 3.792 20 0 GHADLP C[C@]12C[NH+](Cc3ccccc3OCCCCO)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001462563537 1070368339 /nfs/dbraw/zinc/36/83/39/1070368339.db2.gz ICOHKDMQPCSFSU-NOZRDPDXSA-N 2 2 394.559 3.792 20 0 GHADLP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](Cc1ccccc1OCCCCO)C2 ZINC001462563537 1070368357 /nfs/dbraw/zinc/36/83/57/1070368357.db2.gz ICOHKDMQPCSFSU-NOZRDPDXSA-N 2 2 394.559 3.792 20 0 GHADLP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](Cc1ccccc1OCCCCO)C2 ZINC001462563537 1070368377 /nfs/dbraw/zinc/36/83/77/1070368377.db2.gz ICOHKDMQPCSFSU-NOZRDPDXSA-N 2 2 394.559 3.792 20 0 GHADLP C[NH+]1CCN(c2cc(C[N@@H+]3CCSC[C@@H]3c3ccccc3)ccc2F)CC1 ZINC001236974065 1041974229 /nfs/dbraw/zinc/97/42/29/1041974229.db2.gz QQRBVNZOZAEFEX-JOCHJYFZSA-N 2 2 385.552 3.868 20 0 GHADLP C[NH+]1CCN(c2cc(C[N@H+]3CCSC[C@@H]3c3ccccc3)ccc2F)CC1 ZINC001236974065 1041974233 /nfs/dbraw/zinc/97/42/33/1041974233.db2.gz QQRBVNZOZAEFEX-JOCHJYFZSA-N 2 2 385.552 3.868 20 0 GHADLP COc1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1Cl ZINC001237192493 1042087508 /nfs/dbraw/zinc/08/75/08/1042087508.db2.gz VAYJHZMIFLCRPH-UHFFFAOYSA-N 2 2 390.911 3.809 20 0 GHADLP COc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1Cl ZINC001237192493 1042087514 /nfs/dbraw/zinc/08/75/14/1042087514.db2.gz VAYJHZMIFLCRPH-UHFFFAOYSA-N 2 2 390.911 3.809 20 0 GHADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001237354809 1042165365 /nfs/dbraw/zinc/16/53/65/1042165365.db2.gz OYVSZOGFPNRGIY-UHFFFAOYSA-N 2 2 387.959 3.593 20 0 GHADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001237354809 1042165367 /nfs/dbraw/zinc/16/53/67/1042165367.db2.gz OYVSZOGFPNRGIY-UHFFFAOYSA-N 2 2 387.959 3.593 20 0 GHADLP Fc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1OC(F)F ZINC001237356866 1042166437 /nfs/dbraw/zinc/16/64/37/1042166437.db2.gz MWMSOZLUWNTMHP-HDICACEKSA-N 2 2 376.422 3.991 20 0 GHADLP Fc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1OC(F)F ZINC001237356866 1042166440 /nfs/dbraw/zinc/16/64/40/1042166440.db2.gz MWMSOZLUWNTMHP-HDICACEKSA-N 2 2 376.422 3.991 20 0 GHADLP Fc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1OC(F)F ZINC001237356866 1042166447 /nfs/dbraw/zinc/16/64/47/1042166447.db2.gz MWMSOZLUWNTMHP-HDICACEKSA-N 2 2 376.422 3.991 20 0 GHADLP Fc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1OC(F)F ZINC001237356866 1042166450 /nfs/dbraw/zinc/16/64/50/1042166450.db2.gz MWMSOZLUWNTMHP-HDICACEKSA-N 2 2 376.422 3.991 20 0 GHADLP c1nc(-c2ccccc2)oc1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001237363837 1042171756 /nfs/dbraw/zinc/17/17/56/1042171756.db2.gz OWTBZJPCFAINKR-UHFFFAOYSA-N 2 2 391.519 3.582 20 0 GHADLP c1nc(-c2ccccc2)oc1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001237363837 1042171761 /nfs/dbraw/zinc/17/17/61/1042171761.db2.gz OWTBZJPCFAINKR-UHFFFAOYSA-N 2 2 391.519 3.582 20 0 GHADLP C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CCCC[NH2+]2)CC1 ZINC001237461385 1042218053 /nfs/dbraw/zinc/21/80/53/1042218053.db2.gz FUENYQDXASMDGQ-QFBILLFUSA-N 2 2 380.374 3.660 20 0 GHADLP COc1cc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)cc(OC)n1 ZINC001237558303 1042262689 /nfs/dbraw/zinc/26/26/89/1042262689.db2.gz JUXPLXHXWILOTP-JTAQYXEDSA-N 2 2 381.520 3.709 20 0 GHADLP COc1cc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)cc(OC)n1 ZINC001237558303 1042262691 /nfs/dbraw/zinc/26/26/91/1042262691.db2.gz JUXPLXHXWILOTP-JTAQYXEDSA-N 2 2 381.520 3.709 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)cc(OC)n1 ZINC001237558303 1042262697 /nfs/dbraw/zinc/26/26/97/1042262697.db2.gz JUXPLXHXWILOTP-JTAQYXEDSA-N 2 2 381.520 3.709 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)cc(OC)n1 ZINC001237558303 1042262700 /nfs/dbraw/zinc/26/27/00/1042262700.db2.gz JUXPLXHXWILOTP-JTAQYXEDSA-N 2 2 381.520 3.709 20 0 GHADLP Clc1ncnc2ccc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)cc12 ZINC001237584560 1042273602 /nfs/dbraw/zinc/27/36/02/1042273602.db2.gz KODNYFJLYCEAAM-RTBURBONSA-N 2 2 378.907 3.847 20 0 GHADLP CCCOc1cc(F)ccc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001237908012 1042418499 /nfs/dbraw/zinc/41/84/99/1042418499.db2.gz RPOXTNGDHWJBIX-REWPJTCUSA-N 2 2 390.543 3.795 20 0 GHADLP CCCOc1cc(F)ccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001237908012 1042418504 /nfs/dbraw/zinc/41/85/04/1042418504.db2.gz RPOXTNGDHWJBIX-REWPJTCUSA-N 2 2 390.543 3.795 20 0 GHADLP CCCOc1cc(F)ccc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001237908012 1042418508 /nfs/dbraw/zinc/41/85/08/1042418508.db2.gz RPOXTNGDHWJBIX-REWPJTCUSA-N 2 2 390.543 3.795 20 0 GHADLP CCCOc1cc(F)ccc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001237908012 1042418511 /nfs/dbraw/zinc/41/85/11/1042418511.db2.gz RPOXTNGDHWJBIX-REWPJTCUSA-N 2 2 390.543 3.795 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(Cl)c(C)c3C)C2)C1 ZINC001238210894 1042520957 /nfs/dbraw/zinc/52/09/57/1042520957.db2.gz CABXBCCBAVSJPI-NRFANRHFSA-N 2 2 380.960 3.518 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(Cl)c(C)c3C)C2)C1 ZINC001238210894 1042520962 /nfs/dbraw/zinc/52/09/62/1042520962.db2.gz CABXBCCBAVSJPI-NRFANRHFSA-N 2 2 380.960 3.518 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(Cl)c(C)c3C)C2)C1 ZINC001238210894 1042520966 /nfs/dbraw/zinc/52/09/66/1042520966.db2.gz CABXBCCBAVSJPI-NRFANRHFSA-N 2 2 380.960 3.518 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(Cl)c(C)c3C)C2)C1 ZINC001238210894 1042520971 /nfs/dbraw/zinc/52/09/71/1042520971.db2.gz CABXBCCBAVSJPI-NRFANRHFSA-N 2 2 380.960 3.518 20 0 GHADLP CC(C)c1cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)ccc1Cl ZINC001238230317 1042526095 /nfs/dbraw/zinc/52/60/95/1042526095.db2.gz YPYXRRGYSYFBNM-LQWHRVPQSA-N 2 2 387.959 3.650 20 0 GHADLP CC(C)c1cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)ccc1Cl ZINC001238230317 1042526099 /nfs/dbraw/zinc/52/60/99/1042526099.db2.gz YPYXRRGYSYFBNM-LQWHRVPQSA-N 2 2 387.959 3.650 20 0 GHADLP CC(C)c1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)ccc1Cl ZINC001238230317 1042526103 /nfs/dbraw/zinc/52/61/03/1042526103.db2.gz YPYXRRGYSYFBNM-LQWHRVPQSA-N 2 2 387.959 3.650 20 0 GHADLP CC(C)c1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)ccc1Cl ZINC001238230317 1042526106 /nfs/dbraw/zinc/52/61/06/1042526106.db2.gz YPYXRRGYSYFBNM-LQWHRVPQSA-N 2 2 387.959 3.650 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(F)c1OC(C)C)C2 ZINC001238322805 1042557833 /nfs/dbraw/zinc/55/78/33/1042557833.db2.gz YEJLYZOMOLSAJA-OFNKIYASSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(F)c1OC(C)C)C2 ZINC001238322805 1042557837 /nfs/dbraw/zinc/55/78/37/1042557837.db2.gz YEJLYZOMOLSAJA-OFNKIYASSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(F)c1OC(C)C)C2 ZINC001238322805 1042557841 /nfs/dbraw/zinc/55/78/41/1042557841.db2.gz YEJLYZOMOLSAJA-OFNKIYASSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(F)c1OC(C)C)C2 ZINC001238322805 1042557845 /nfs/dbraw/zinc/55/78/45/1042557845.db2.gz YEJLYZOMOLSAJA-OFNKIYASSA-N 2 2 390.543 3.793 20 0 GHADLP COc1cc(C)c(C)cc1C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001238758302 1042716555 /nfs/dbraw/zinc/71/65/55/1042716555.db2.gz VXRDHQHCAVZUTL-UHFFFAOYSA-N 2 2 382.552 3.676 20 0 GHADLP COc1cc(C)c(C)cc1C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001238758302 1042716561 /nfs/dbraw/zinc/71/65/61/1042716561.db2.gz VXRDHQHCAVZUTL-UHFFFAOYSA-N 2 2 382.552 3.676 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc(C(=O)NCc3ccccc3)c2)C1 ZINC001240077127 1042883459 /nfs/dbraw/zinc/88/34/59/1042883459.db2.gz IUPHEKLPGVMEQG-QHCPKHFHSA-N 2 2 385.511 3.817 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc(C(=O)NCc3ccccc3)c2)C1 ZINC001240077127 1042883465 /nfs/dbraw/zinc/88/34/65/1042883465.db2.gz IUPHEKLPGVMEQG-QHCPKHFHSA-N 2 2 385.511 3.817 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001462669969 1070458441 /nfs/dbraw/zinc/45/84/41/1070458441.db2.gz CCVZXHXISFGEPP-SFHVURJKSA-N 2 2 388.556 3.677 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N3CC[NH+](C)CC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256524885 1043451489 /nfs/dbraw/zinc/45/14/89/1043451489.db2.gz ZTDXWVCYFYONAW-ZJSXRUAMSA-N 3 2 392.591 3.581 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N3CC[NH+](C)CC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001256524885 1043451493 /nfs/dbraw/zinc/45/14/93/1043451493.db2.gz ZTDXWVCYFYONAW-ZJSXRUAMSA-N 3 2 392.591 3.581 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256535854 1043475428 /nfs/dbraw/zinc/47/54/28/1043475428.db2.gz AZRUPUDFCCXIRG-FDDCHVKYSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256535854 1043475441 /nfs/dbraw/zinc/47/54/41/1043475441.db2.gz AZRUPUDFCCXIRG-FDDCHVKYSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256535854 1043475454 /nfs/dbraw/zinc/47/54/54/1043475454.db2.gz AZRUPUDFCCXIRG-FDDCHVKYSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256535854 1043475471 /nfs/dbraw/zinc/47/54/71/1043475471.db2.gz AZRUPUDFCCXIRG-FDDCHVKYSA-N 2 2 378.516 3.884 20 0 GHADLP C[C@H]1C[C@H](N2CC[NH+](Cc3ccc(F)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256539901 1043487166 /nfs/dbraw/zinc/48/71/66/1043487166.db2.gz YUMAVXDCHQRZNA-GBXCKJPGSA-N 2 2 381.539 3.996 20 0 GHADLP C[C@H]1C[C@H](N2CC[NH+](Cc3ccc(F)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256539901 1043487187 /nfs/dbraw/zinc/48/71/87/1043487187.db2.gz YUMAVXDCHQRZNA-GBXCKJPGSA-N 2 2 381.539 3.996 20 0 GHADLP COC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256543610 1043499436 /nfs/dbraw/zinc/49/94/36/1043499436.db2.gz UIQDBIYABRTEKY-RBBKRZOGSA-N 2 2 399.579 3.984 20 0 GHADLP COC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256543610 1043499446 /nfs/dbraw/zinc/49/94/46/1043499446.db2.gz UIQDBIYABRTEKY-RBBKRZOGSA-N 2 2 399.579 3.984 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCC3(CC2)OC(=O)c2ncccc23)CC[N@@H+]1Cc1ccccc1 ZINC001256559323 1043534749 /nfs/dbraw/zinc/53/47/49/1043534749.db2.gz KUGJOEFMKLUBKE-UYAOXDASSA-N 2 2 391.515 3.596 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCC3(CC2)OC(=O)c2ncccc23)CC[N@H+]1Cc1ccccc1 ZINC001256559323 1043534757 /nfs/dbraw/zinc/53/47/57/1043534757.db2.gz KUGJOEFMKLUBKE-UYAOXDASSA-N 2 2 391.515 3.596 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCC3(CC2)OC(=O)c2ncccc23)CC[N@@H+]1Cc1ccccc1 ZINC001256559321 1043534890 /nfs/dbraw/zinc/53/48/90/1043534890.db2.gz KUGJOEFMKLUBKE-ICSRJNTNSA-N 2 2 391.515 3.596 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCC3(CC2)OC(=O)c2ncccc23)CC[N@H+]1Cc1ccccc1 ZINC001256559321 1043534892 /nfs/dbraw/zinc/53/48/92/1043534892.db2.gz KUGJOEFMKLUBKE-ICSRJNTNSA-N 2 2 391.515 3.596 20 0 GHADLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCc3c(cccc3OC)C2)CC1 ZINC001256633396 1043584060 /nfs/dbraw/zinc/58/40/60/1043584060.db2.gz GIGLDWYGORRYSE-OAQYLSRUSA-N 2 2 380.532 3.815 20 0 GHADLP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(SC(F)(F)F)c1 ZINC001278954852 1043601805 /nfs/dbraw/zinc/60/18/05/1043601805.db2.gz BAQAQSXYDXONNA-ALOPSCKCSA-N 2 2 387.515 3.945 20 0 GHADLP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(SC(F)(F)F)c1 ZINC001278954852 1043601807 /nfs/dbraw/zinc/60/18/07/1043601807.db2.gz BAQAQSXYDXONNA-ALOPSCKCSA-N 2 2 387.515 3.945 20 0 GHADLP Clc1cncc(Cl)c1N1CC[NH+](C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256861425 1043707990 /nfs/dbraw/zinc/70/79/90/1043707990.db2.gz NVBQNJPUBROVSG-UHFFFAOYSA-N 2 2 392.334 3.574 20 0 GHADLP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001257480556 1044012507 /nfs/dbraw/zinc/01/25/07/1044012507.db2.gz XRQKHLXIDGJSBY-XUVXKRRUSA-N 2 2 375.605 3.612 20 0 GHADLP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001257480556 1044012522 /nfs/dbraw/zinc/01/25/22/1044012522.db2.gz XRQKHLXIDGJSBY-XUVXKRRUSA-N 2 2 375.605 3.612 20 0 GHADLP CCCCCC(CCCCC)[N@@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001257551048 1044035658 /nfs/dbraw/zinc/03/56/58/1044035658.db2.gz ASMQBOZOXOYVIY-UHFFFAOYSA-N 2 2 389.632 3.975 20 0 GHADLP CCCCCC(CCCCC)[N@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001257551048 1044035675 /nfs/dbraw/zinc/03/56/75/1044035675.db2.gz ASMQBOZOXOYVIY-UHFFFAOYSA-N 2 2 389.632 3.975 20 0 GHADLP Cc1[nH+]cn(C2CCC3(CCCN(C(=O)OC(C)(C)C)C3)CC2)c1CC[NH3+] ZINC001257764143 1044152027 /nfs/dbraw/zinc/15/20/27/1044152027.db2.gz AFDIFZRODQZBPM-UHFFFAOYSA-N 2 2 376.545 3.825 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+]C3CCC(OC(C)C)CC3)CC2)cc1 ZINC001257875083 1044234817 /nfs/dbraw/zinc/23/48/17/1044234817.db2.gz IBQKYJVRQKZLNI-UHFFFAOYSA-N 2 2 388.552 3.763 20 0 GHADLP COc1cccc(C[NH+]2CCC([NH2+][C@H]3COc4ccc(Cl)cc4C3)CC2)c1 ZINC001257954004 1044270557 /nfs/dbraw/zinc/27/05/57/1044270557.db2.gz USTFGWAJVCYHKS-HXUWFJFHSA-N 2 2 386.923 3.906 20 0 GHADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257974624 1044298217 /nfs/dbraw/zinc/29/82/17/1044298217.db2.gz YDJZASVUNQUDOU-QHAWAJNXSA-N 2 2 387.568 3.681 20 0 GHADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257974624 1044298229 /nfs/dbraw/zinc/29/82/29/1044298229.db2.gz YDJZASVUNQUDOU-QHAWAJNXSA-N 2 2 387.568 3.681 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](C3CCC(c4ccccc4)CC3)C2)C1 ZINC001257996895 1044323846 /nfs/dbraw/zinc/32/38/46/1044323846.db2.gz MDIYICFCFUDHAS-KXTRFFEISA-N 2 2 386.580 3.774 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](C3CCC(c4ccccc4)CC3)C2)C1 ZINC001257996895 1044323862 /nfs/dbraw/zinc/32/38/62/1044323862.db2.gz MDIYICFCFUDHAS-KXTRFFEISA-N 2 2 386.580 3.774 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](C3CCC(c4ccccc4)CC3)C2)C1 ZINC001257996895 1044323880 /nfs/dbraw/zinc/32/38/80/1044323880.db2.gz MDIYICFCFUDHAS-KXTRFFEISA-N 2 2 386.580 3.774 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](C3CCC(c4ccccc4)CC3)C2)C1 ZINC001257996895 1044323895 /nfs/dbraw/zinc/32/38/95/1044323895.db2.gz MDIYICFCFUDHAS-KXTRFFEISA-N 2 2 386.580 3.774 20 0 GHADLP CCOC(=O)CC1CCC([N@@H+]2CC[C@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001258033116 1044359984 /nfs/dbraw/zinc/35/99/84/1044359984.db2.gz SFFATQDOVCHHEZ-CHPDAQJUSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)CC1CCC([N@H+]2CC[C@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001258033116 1044359997 /nfs/dbraw/zinc/35/99/97/1044359997.db2.gz SFFATQDOVCHHEZ-CHPDAQJUSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)CC1CCC([NH+]2CC[C@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)CC1 ZINC001258033116 1044360013 /nfs/dbraw/zinc/36/00/13/1044360013.db2.gz SFFATQDOVCHHEZ-CHPDAQJUSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)CC1CCC([NH+]2CC[C@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001258033116 1044360027 /nfs/dbraw/zinc/36/00/27/1044360027.db2.gz SFFATQDOVCHHEZ-CHPDAQJUSA-N 2 2 391.581 3.551 20 0 GHADLP CC(C)C[C@@H](C)C[C@@H](C)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001258073038 1044383199 /nfs/dbraw/zinc/38/31/99/1044383199.db2.gz APOQQQYNMDCJPV-FGZHOGPDSA-N 3 2 392.676 3.623 20 0 GHADLP CCCc1noc(C2CC[NH+](C3CC[NH+](CCc4ccccc4)CC3)CC2)n1 ZINC001258147962 1044437782 /nfs/dbraw/zinc/43/77/82/1044437782.db2.gz WDQGBMXTGQMVCH-UHFFFAOYSA-N 2 2 382.552 3.909 20 0 GHADLP CSC(C)(C)C[C@@H](C)[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001258342747 1044517927 /nfs/dbraw/zinc/51/79/27/1044517927.db2.gz NEJYPYGBARYXFE-SZVBFZGTSA-N 2 2 397.654 3.894 20 0 GHADLP CSC(C)(C)C[C@@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001258342747 1044517945 /nfs/dbraw/zinc/51/79/45/1044517945.db2.gz NEJYPYGBARYXFE-SZVBFZGTSA-N 2 2 397.654 3.894 20 0 GHADLP CSC(C)(C)C[C@@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001258342747 1044517962 /nfs/dbraw/zinc/51/79/62/1044517962.db2.gz NEJYPYGBARYXFE-SZVBFZGTSA-N 2 2 397.654 3.894 20 0 GHADLP CSC(C)(C)C[C@@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001258342747 1044517971 /nfs/dbraw/zinc/51/79/71/1044517971.db2.gz NEJYPYGBARYXFE-SZVBFZGTSA-N 2 2 397.654 3.894 20 0 GHADLP CCOC(=O)CC[C@@H](C)[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC001258500642 1044583466 /nfs/dbraw/zinc/58/34/66/1044583466.db2.gz MWQQKPCHKZZFFS-OAHLLOKOSA-N 2 2 386.458 3.991 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+]C2CCN(c3ccccc3)CC2)cs1 ZINC001258505415 1044585207 /nfs/dbraw/zinc/58/52/07/1044585207.db2.gz ODTPDMXYHKLLKZ-UHFFFAOYSA-N 2 2 390.622 3.697 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1(C)C ZINC001258550935 1044628863 /nfs/dbraw/zinc/62/88/63/1044628863.db2.gz WMSKUAZKLBEWCM-GOSISDBHSA-N 2 2 388.556 3.818 20 0 GHADLP C[C@@H](Cc1cccnc1)[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001258627713 1044675975 /nfs/dbraw/zinc/67/59/75/1044675975.db2.gz TWWZCUTVELMFKK-SFHVURJKSA-N 2 2 376.504 3.691 20 0 GHADLP C[C@@H](Cc1cccnc1)[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001258627713 1044675995 /nfs/dbraw/zinc/67/59/95/1044675995.db2.gz TWWZCUTVELMFKK-SFHVURJKSA-N 2 2 376.504 3.691 20 0 GHADLP C[C@@H](Cc1cccnc1)[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001258627713 1044676008 /nfs/dbraw/zinc/67/60/08/1044676008.db2.gz TWWZCUTVELMFKK-SFHVURJKSA-N 2 2 376.504 3.691 20 0 GHADLP C[C@@H](Cc1cccnc1)[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001258627713 1044676015 /nfs/dbraw/zinc/67/60/15/1044676015.db2.gz TWWZCUTVELMFKK-SFHVURJKSA-N 2 2 376.504 3.691 20 0 GHADLP C[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001258736590 1044735754 /nfs/dbraw/zinc/73/57/54/1044735754.db2.gz WYVCBGZVPJKMFP-SFHVURJKSA-N 2 2 388.939 3.772 20 0 GHADLP CCCC[C@@H](CCC)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001258763714 1044753795 /nfs/dbraw/zinc/75/37/95/1044753795.db2.gz AGEOQEDUGQSPOB-OAQYLSRUSA-N 3 2 378.649 3.522 20 0 GHADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cc(-n4cc[nH+]c4)ccc3O)c2C1 ZINC001295455395 1045022150 /nfs/dbraw/zinc/02/21/50/1045022150.db2.gz XTURYGGASCDYMB-UHFFFAOYSA-N 2 2 376.460 3.802 20 0 GHADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc(-n4cc[nH+]c4)ccc3O)c2C1 ZINC001295455395 1045022161 /nfs/dbraw/zinc/02/21/61/1045022161.db2.gz XTURYGGASCDYMB-UHFFFAOYSA-N 2 2 376.460 3.802 20 0 GHADLP C[NH+](C)[C@H]1CCC[C@H](C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)C1 ZINC001297179066 1045470043 /nfs/dbraw/zinc/47/00/43/1045470043.db2.gz WCMADBSMVMCNAU-ICSRJNTNSA-N 2 2 388.943 3.686 20 0 GHADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3c(Cl)cncc3Cl)C2)C1 ZINC001279391194 1047791591 /nfs/dbraw/zinc/79/15/91/1047791591.db2.gz XQNJCMNYVTZEED-IBGZPJMESA-N 2 2 385.383 3.628 20 0 GHADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3c(Cl)cncc3Cl)C2)C1 ZINC001279391194 1047791596 /nfs/dbraw/zinc/79/15/96/1047791596.db2.gz XQNJCMNYVTZEED-IBGZPJMESA-N 2 2 385.383 3.628 20 0 GHADLP Cc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4scnc4Cl)(C2)CCC3)n(C)n1 ZINC001279423195 1047801034 /nfs/dbraw/zinc/80/10/34/1047801034.db2.gz LZDLVDJTWVTTPT-ZWKOTPCHSA-N 2 2 379.961 3.563 20 0 GHADLP Cc1cc(Cl)nc(Cl)c1C[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279636062 1047880673 /nfs/dbraw/zinc/88/06/73/1047880673.db2.gz BUSMPHBLQPIYKX-IBGZPJMESA-N 2 2 385.383 3.546 20 0 GHADLP Cc1cc(Cl)nc(Cl)c1C[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279636062 1047880688 /nfs/dbraw/zinc/88/06/88/1047880688.db2.gz BUSMPHBLQPIYKX-IBGZPJMESA-N 2 2 385.383 3.546 20 0 GHADLP Fc1ccc(Cl)c(C[NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)c1Cl ZINC001279662652 1047902774 /nfs/dbraw/zinc/90/27/74/1047902774.db2.gz SKKOWNMXIVIRSL-UHFFFAOYSA-N 2 2 397.325 3.927 20 0 GHADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC001307697680 1049515339 /nfs/dbraw/zinc/51/53/39/1049515339.db2.gz IMVMVYOAIIJYMX-IBGZPJMESA-N 2 2 390.568 3.522 20 0 GHADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC001307697680 1049515350 /nfs/dbraw/zinc/51/53/50/1049515350.db2.gz IMVMVYOAIIJYMX-IBGZPJMESA-N 2 2 390.568 3.522 20 0 GHADLP CC(C)C[C@@H](C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)n1cc[nH+]c1 ZINC001290253326 1049779726 /nfs/dbraw/zinc/77/97/26/1049779726.db2.gz VJAKGCOGEJCKJN-QHCPKHFHSA-N 2 2 390.531 3.968 20 0 GHADLP Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CCN(c4cc[nH+]cc4)C[C@@H]3C)n2)cc1F ZINC001308087929 1049834783 /nfs/dbraw/zinc/83/47/83/1049834783.db2.gz AEZZLNUGYNUHRF-JKSUJKDBSA-N 2 2 381.455 3.851 20 0 GHADLP Cc1ccc(-c2noc([C@@H](C)[N@H+]3CCN(c4cc[nH+]cc4)C[C@@H]3C)n2)cc1F ZINC001308087929 1049834791 /nfs/dbraw/zinc/83/47/91/1049834791.db2.gz AEZZLNUGYNUHRF-JKSUJKDBSA-N 2 2 381.455 3.851 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+][C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)C1 ZINC001308172737 1049899634 /nfs/dbraw/zinc/89/96/34/1049899634.db2.gz XTHCZNYDCISOJV-YHDCXSKOSA-N 2 2 393.616 3.978 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+][C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)C1 ZINC001308172737 1049899635 /nfs/dbraw/zinc/89/96/35/1049899635.db2.gz XTHCZNYDCISOJV-YHDCXSKOSA-N 2 2 393.616 3.978 20 0 GHADLP O=C(Nc1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1)c1ccccn1 ZINC001308216119 1049916232 /nfs/dbraw/zinc/91/62/32/1049916232.db2.gz ZVDRLMFPGZTEPQ-UHFFFAOYSA-N 2 2 389.484 3.871 20 0 GHADLP CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC001308243525 1049924047 /nfs/dbraw/zinc/92/40/47/1049924047.db2.gz DKNJXIVIEDZECN-UHFFFAOYSA-N 2 2 377.514 3.867 20 0 GHADLP C[C@@H]([NH2+]Cc1sc(N(C)C)nc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001308643696 1050045191 /nfs/dbraw/zinc/04/51/91/1050045191.db2.gz RLIACPKEGUCSGH-ZBFHGGJFSA-N 2 2 378.973 3.863 20 0 GHADLP C[C@@H]([NH2+]Cc1sc(N(C)C)nc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308643696 1050045194 /nfs/dbraw/zinc/04/51/94/1050045194.db2.gz RLIACPKEGUCSGH-ZBFHGGJFSA-N 2 2 378.973 3.863 20 0 GHADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CCc2ccc(I)cc2)C1 ZINC001308733907 1050075545 /nfs/dbraw/zinc/07/55/45/1050075545.db2.gz GIGADGCSLCTEIW-RHSMWYFYSA-N 2 2 386.321 3.686 20 0 GHADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CCc2ccc(I)cc2)C1 ZINC001308733907 1050075550 /nfs/dbraw/zinc/07/55/50/1050075550.db2.gz GIGADGCSLCTEIW-RHSMWYFYSA-N 2 2 386.321 3.686 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccc([S@@](C)=O)cc1 ZINC001330802692 1051111888 /nfs/dbraw/zinc/11/18/88/1051111888.db2.gz RGOGJBGHTZUPGH-HHHXNRCGSA-N 2 2 384.549 3.728 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC001331609600 1051337620 /nfs/dbraw/zinc/33/76/20/1051337620.db2.gz KYDGEPMXFSTGEY-UHFFFAOYSA-N 2 2 394.435 3.570 20 0 GHADLP CC(C)[C@H](CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC001311391014 1052081822 /nfs/dbraw/zinc/08/18/22/1052081822.db2.gz CEJOUUKWNKNNJY-VXKWHMMOSA-N 2 2 397.567 3.680 20 0 GHADLP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001335972476 1052210103 /nfs/dbraw/zinc/21/01/03/1052210103.db2.gz IRKLUHVQYJQVMB-IIYDPXPESA-N 2 2 385.733 3.543 20 0 GHADLP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001335972476 1052210112 /nfs/dbraw/zinc/21/01/12/1052210112.db2.gz IRKLUHVQYJQVMB-IIYDPXPESA-N 2 2 385.733 3.543 20 0 GHADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001312796609 1052873179 /nfs/dbraw/zinc/87/31/79/1052873179.db2.gz HIXBZGMCVGBDSV-MSOLQXFVSA-N 2 2 377.577 3.648 20 0 GHADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001312796609 1052873183 /nfs/dbraw/zinc/87/31/83/1052873183.db2.gz HIXBZGMCVGBDSV-MSOLQXFVSA-N 2 2 377.577 3.648 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(F)cc(Br)c1 ZINC001318815217 1054894280 /nfs/dbraw/zinc/89/42/80/1054894280.db2.gz OSVXZRWZAQERBA-UHFFFAOYSA-N 2 2 375.201 3.730 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O ZINC001318959871 1054966489 /nfs/dbraw/zinc/96/64/89/1054966489.db2.gz GOUZJDQCKKEANY-UHFFFAOYSA-N 2 2 385.427 3.904 20 0 GHADLP CN(C(=O)CC(C1CC1)C1CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001319486148 1055279794 /nfs/dbraw/zinc/27/97/94/1055279794.db2.gz JEONQJPKNJMKRS-VXKWHMMOSA-N 2 2 375.601 3.608 20 0 GHADLP CN(C(=O)CC(C1CC1)C1CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001319486148 1055279807 /nfs/dbraw/zinc/27/98/07/1055279807.db2.gz JEONQJPKNJMKRS-VXKWHMMOSA-N 2 2 375.601 3.608 20 0 GHADLP CN(C(=O)c1ccc(-c2cccs2)s1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001320304925 1055745487 /nfs/dbraw/zinc/74/54/87/1055745487.db2.gz LAXRHVZBOFBNLZ-MRXNPFEDSA-N 2 2 389.590 3.717 20 0 GHADLP CN(C(=O)c1ccc(-c2cccs2)s1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001320304925 1055745499 /nfs/dbraw/zinc/74/54/99/1055745499.db2.gz LAXRHVZBOFBNLZ-MRXNPFEDSA-N 2 2 389.590 3.717 20 0 GHADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)cc1Cl ZINC001321527927 1056303673 /nfs/dbraw/zinc/30/36/73/1056303673.db2.gz QIXJQEZOGAMGDH-FQEVSTJZSA-N 2 2 386.927 3.790 20 0 GHADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)cc1Cl ZINC001321527927 1056303697 /nfs/dbraw/zinc/30/36/97/1056303697.db2.gz QIXJQEZOGAMGDH-FQEVSTJZSA-N 2 2 386.927 3.790 20 0 GHADLP OCC[C@@H]([NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1cccs1 ZINC001200630053 1056528059 /nfs/dbraw/zinc/52/80/59/1056528059.db2.gz GMBVPFGDLURTJX-QGZVFWFLSA-N 2 2 391.924 3.890 20 0 GHADLP COC(=O)/C=C\c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000848911002 1057415655 /nfs/dbraw/zinc/41/56/55/1057415655.db2.gz PKZVCOIRHOTXKJ-AXKWSIDASA-N 2 2 380.488 3.564 20 0 GHADLP COC(=O)/C=C\c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000848911002 1057415663 /nfs/dbraw/zinc/41/56/63/1057415663.db2.gz PKZVCOIRHOTXKJ-AXKWSIDASA-N 2 2 380.488 3.564 20 0 GHADLP COC(=O)/C=C\c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC000848911002 1057415670 /nfs/dbraw/zinc/41/56/70/1057415670.db2.gz PKZVCOIRHOTXKJ-AXKWSIDASA-N 2 2 380.488 3.564 20 0 GHADLP COC(=O)/C=C\c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC000848911002 1057415674 /nfs/dbraw/zinc/41/56/74/1057415674.db2.gz PKZVCOIRHOTXKJ-AXKWSIDASA-N 2 2 380.488 3.564 20 0 GHADLP CC(C)Oc1ccc([C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)[NH+](C)C)cc1 ZINC000849080373 1057584454 /nfs/dbraw/zinc/58/44/54/1057584454.db2.gz PGGOEXANDITYBL-IBGZPJMESA-N 2 2 376.451 3.991 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCc1ncc(-c2ccccc2F)o1 ZINC001339061371 1058944426 /nfs/dbraw/zinc/94/44/26/1058944426.db2.gz BBMJGVVZBGEGFT-UHFFFAOYSA-N 2 2 391.406 3.941 20 0 GHADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)c1 ZINC001445552142 1059563194 /nfs/dbraw/zinc/56/31/94/1059563194.db2.gz ZSXPFNSEGWFHGW-JOCHJYFZSA-N 2 2 397.567 3.728 20 0 GHADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)c1 ZINC001445552142 1059563210 /nfs/dbraw/zinc/56/32/10/1059563210.db2.gz ZSXPFNSEGWFHGW-JOCHJYFZSA-N 2 2 397.567 3.728 20 0 GHADLP CCCC[NH+](CC)Cc1cccc(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)c1 ZINC001445552142 1059563226 /nfs/dbraw/zinc/56/32/26/1059563226.db2.gz ZSXPFNSEGWFHGW-JOCHJYFZSA-N 2 2 397.567 3.728 20 0 GHADLP CCCC[NH+](CC)Cc1cccc(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)c1 ZINC001445552142 1059563242 /nfs/dbraw/zinc/56/32/42/1059563242.db2.gz ZSXPFNSEGWFHGW-JOCHJYFZSA-N 2 2 397.567 3.728 20 0 GHADLP Cn1c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)ccc1[C@H]1CCCC[NH2+]1 ZINC001340140115 1059719834 /nfs/dbraw/zinc/71/98/34/1059719834.db2.gz ODYUZMADXNOXMD-MRXNPFEDSA-N 2 2 387.553 3.534 20 0 GHADLP O=C([C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC001446570186 1059804953 /nfs/dbraw/zinc/80/49/53/1059804953.db2.gz RHCMIPOBRSUKLX-OAQYLSRUSA-N 2 2 389.971 3.781 20 0 GHADLP O=C([C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC001446570186 1059804983 /nfs/dbraw/zinc/80/49/83/1059804983.db2.gz RHCMIPOBRSUKLX-OAQYLSRUSA-N 2 2 389.971 3.781 20 0 GHADLP Cc1cc(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)cc(C)[nH+]1 ZINC001341006660 1060326221 /nfs/dbraw/zinc/32/62/21/1060326221.db2.gz QJEUWPZZUUOVSS-UHFFFAOYSA-N 2 2 378.476 3.667 20 0 GHADLP Cc1cc(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)cc(C)[nH+]1 ZINC001341006660 1060326245 /nfs/dbraw/zinc/32/62/45/1060326245.db2.gz QJEUWPZZUUOVSS-UHFFFAOYSA-N 2 2 378.476 3.667 20 0 GHADLP CC(C)[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001453503818 1061145567 /nfs/dbraw/zinc/14/55/67/1061145567.db2.gz ZXTUPNNAYIEYBG-HSZRJFAPSA-N 2 2 388.515 3.855 20 0 GHADLP CC(C)[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001453503818 1061145574 /nfs/dbraw/zinc/14/55/74/1061145574.db2.gz ZXTUPNNAYIEYBG-HSZRJFAPSA-N 2 2 388.515 3.855 20 0 GHADLP CC[NH+](CC)CC[C@H](C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001350144919 1064002666 /nfs/dbraw/zinc/00/26/66/1064002666.db2.gz TYIBPUUXVXNOPW-CVEARBPZSA-N 2 2 381.590 3.617 20 0 GHADLP CC[NH+](CC)CC[C@H](C)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001350144919 1064002674 /nfs/dbraw/zinc/00/26/74/1064002674.db2.gz TYIBPUUXVXNOPW-CVEARBPZSA-N 2 2 381.590 3.617 20 0 GHADLP COc1cccc(C[C@H]2CCC[N@@H+]2CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001459340743 1064067490 /nfs/dbraw/zinc/06/74/90/1064067490.db2.gz WIOGYWHCTNYKQZ-XMMPIXPASA-N 2 2 393.575 3.914 20 0 GHADLP COc1cccc(C[C@H]2CCC[N@H+]2CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001459340743 1064067501 /nfs/dbraw/zinc/06/75/01/1064067501.db2.gz WIOGYWHCTNYKQZ-XMMPIXPASA-N 2 2 393.575 3.914 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1cccs1 ZINC001463646480 1064524041 /nfs/dbraw/zinc/52/40/41/1064524041.db2.gz KEPKHCASXNESQP-OALUTQOASA-N 2 2 389.540 3.661 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1cccs1 ZINC001463646480 1064524050 /nfs/dbraw/zinc/52/40/50/1064524050.db2.gz KEPKHCASXNESQP-OALUTQOASA-N 2 2 389.540 3.661 20 0 GHADLP C[NH+](C)Cc1ccc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)o1 ZINC001464140637 1064853540 /nfs/dbraw/zinc/85/35/40/1064853540.db2.gz YLHQGBMAKLPEES-GOSISDBHSA-N 2 2 375.900 3.562 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC001464200177 1064904032 /nfs/dbraw/zinc/90/40/32/1064904032.db2.gz QPVYARXYYSWGEK-KRWDZBQOSA-N 2 2 398.429 3.736 20 0 GHADLP CC1CC[NH+](CCCCNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC001465017757 1065330446 /nfs/dbraw/zinc/33/04/46/1065330446.db2.gz RWOABQHSOJJMJD-UHFFFAOYSA-N 2 2 393.601 3.763 20 0 GHADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001465177130 1065440247 /nfs/dbraw/zinc/44/02/47/1065440247.db2.gz YVANBDQEKYVIFK-MRXNPFEDSA-N 2 2 388.393 3.586 20 0 GHADLP O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001465177130 1065440254 /nfs/dbraw/zinc/44/02/54/1065440254.db2.gz YVANBDQEKYVIFK-MRXNPFEDSA-N 2 2 388.393 3.586 20 0 GHADLP C[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001353156191 1065716897 /nfs/dbraw/zinc/71/68/97/1065716897.db2.gz QKYBIBLGZPVXGB-FQEVSTJZSA-N 2 2 397.567 3.789 20 0 GHADLP COc1cc(C)ccc1Oc1ccccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001200269591 1065778690 /nfs/dbraw/zinc/77/86/90/1065778690.db2.gz YISUQSXKAMEDOZ-WOJBJXKFSA-N 2 2 382.504 3.749 20 0 GHADLP COc1cc(C)ccc1Oc1ccccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001200269591 1065778700 /nfs/dbraw/zinc/77/87/00/1065778700.db2.gz YISUQSXKAMEDOZ-WOJBJXKFSA-N 2 2 382.504 3.749 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001353560364 1066041733 /nfs/dbraw/zinc/04/17/33/1066041733.db2.gz RDLKBWIQKIHACJ-OAQYLSRUSA-N 2 2 398.595 3.707 20 0 GHADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)cc1 ZINC001466927850 1066395012 /nfs/dbraw/zinc/39/50/12/1066395012.db2.gz TWZFDUVSBVKXNW-JOCHJYFZSA-N 2 2 381.520 3.750 20 0 GHADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)cc1 ZINC001466927850 1066395017 /nfs/dbraw/zinc/39/50/17/1066395017.db2.gz TWZFDUVSBVKXNW-JOCHJYFZSA-N 2 2 381.520 3.750 20 0 GHADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC001467374087 1067259824 /nfs/dbraw/zinc/25/98/24/1067259824.db2.gz YVQPKASKZNFRLW-FQEVSTJZSA-N 2 2 397.523 3.505 20 0 GHADLP CC(C)[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H](O)c1ccccc1 ZINC001460077421 1068766830 /nfs/dbraw/zinc/76/68/30/1068766830.db2.gz ATQIGQXWSLOKOT-TZRRMPRUSA-N 2 2 382.548 3.625 20 0 GHADLP CC(C)[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H](O)c1ccccc1 ZINC001460077421 1068766843 /nfs/dbraw/zinc/76/68/43/1068766843.db2.gz ATQIGQXWSLOKOT-TZRRMPRUSA-N 2 2 382.548 3.625 20 0 GHADLP Cn1c[nH+]cc1C1CC[NH+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC001460962351 1069299863 /nfs/dbraw/zinc/29/98/63/1069299863.db2.gz WXUSJVLZRSUWPU-QFBILLFUSA-N 2 2 379.426 3.782 20 0 GHADLP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001478520384 1078903401 /nfs/dbraw/zinc/90/34/01/1078903401.db2.gz YURSATDZCGCUOP-UHFFFAOYSA-N 2 2 399.583 3.714 20 0 GHADLP CN(C(=O)NC[C@@]12C[C@@H]1CCCC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001471354729 1073035917 /nfs/dbraw/zinc/03/59/17/1073035917.db2.gz RVLKLRDYJSISIC-DEXHYYOUSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)NC[C@@]12C[C@@H]1CCCC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001471354729 1073035927 /nfs/dbraw/zinc/03/59/27/1073035927.db2.gz RVLKLRDYJSISIC-DEXHYYOUSA-N 2 2 390.616 3.545 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CCOC(=O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001473206578 1073860219 /nfs/dbraw/zinc/86/02/19/1073860219.db2.gz SNCQQYXZIQWSKB-NFBKMPQASA-N 2 2 380.532 3.757 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CCOC(=O)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001473206578 1073860228 /nfs/dbraw/zinc/86/02/28/1073860228.db2.gz SNCQQYXZIQWSKB-NFBKMPQASA-N 2 2 380.532 3.757 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)CCOC(=O)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001473206578 1073860237 /nfs/dbraw/zinc/86/02/37/1073860237.db2.gz SNCQQYXZIQWSKB-NFBKMPQASA-N 2 2 380.532 3.757 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)CCOC(=O)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001473206578 1073860247 /nfs/dbraw/zinc/86/02/47/1073860247.db2.gz SNCQQYXZIQWSKB-NFBKMPQASA-N 2 2 380.532 3.757 20 0 GHADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001473391599 1073946866 /nfs/dbraw/zinc/94/68/66/1073946866.db2.gz QINTUKRRCBKPHU-VQTJNVASSA-N 2 2 377.598 3.587 20 0 GHADLP CSc1ccccc1NC(=O)CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001473747676 1074121250 /nfs/dbraw/zinc/12/12/50/1074121250.db2.gz QDYMWIYVHYXGQF-IBGZPJMESA-N 2 2 380.517 3.965 20 0 GHADLP COC(=O)c1cnc(CC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)s1 ZINC001473757247 1074126234 /nfs/dbraw/zinc/12/62/34/1074126234.db2.gz ACPTYJCUMFELNW-UHFFFAOYSA-N 2 2 396.516 3.570 20 0 GHADLP CO[C@@H](C[NH2+][C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC001473844460 1074171461 /nfs/dbraw/zinc/17/14/61/1074171461.db2.gz DQCDDJZSYKMBOB-WSOYEBOPSA-N 2 2 394.559 3.686 20 0 GHADLP CO[C@@H](C[NH2+][C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC001473844460 1074171463 /nfs/dbraw/zinc/17/14/63/1074171463.db2.gz DQCDDJZSYKMBOB-WSOYEBOPSA-N 2 2 394.559 3.686 20 0 GHADLP COc1nc(Cl)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)n1C ZINC001473932246 1074208592 /nfs/dbraw/zinc/20/85/92/1074208592.db2.gz XRIVKVBOUMVOFQ-HNNXBMFYSA-N 2 2 376.932 3.746 20 0 GHADLP COc1nc(Cl)c(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)n1C ZINC001473932246 1074208599 /nfs/dbraw/zinc/20/85/99/1074208599.db2.gz XRIVKVBOUMVOFQ-HNNXBMFYSA-N 2 2 376.932 3.746 20 0 GHADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(Cl)cc(Cl)c3N)cc2)CC1 ZINC001473933953 1074209623 /nfs/dbraw/zinc/20/96/23/1074209623.db2.gz KMECPVLNQAENEX-UHFFFAOYSA-N 2 2 393.362 3.613 20 0 GHADLP COC[C@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1ccc(F)cc1 ZINC001474023457 1074239393 /nfs/dbraw/zinc/23/93/93/1074239393.db2.gz ARWBZALJQLZPBV-KRWDZBQOSA-N 2 2 396.409 3.686 20 0 GHADLP Cc1cc(N2CCC([NH2+]CC(C)(C)C[N@H+](C)Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC001474026996 1074240529 /nfs/dbraw/zinc/24/05/29/1074240529.db2.gz AFPQIMPDRMELIB-UHFFFAOYSA-N 3 2 395.595 3.810 20 0 GHADLP Cc1cc(N2CCC([NH2+]CC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC001474026996 1074240532 /nfs/dbraw/zinc/24/05/32/1074240532.db2.gz AFPQIMPDRMELIB-UHFFFAOYSA-N 3 2 395.595 3.810 20 0 GHADLP Cc1oc(-c2cccs2)nc1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001474036986 1074243940 /nfs/dbraw/zinc/24/39/40/1074243940.db2.gz UJOPVHVFJGPYFQ-UHFFFAOYSA-N 2 2 397.544 3.958 20 0 GHADLP C[C@H]([NH2+]Cc1ncc(Br)cc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001474397089 1074384771 /nfs/dbraw/zinc/38/47/71/1074384771.db2.gz SAYPSPBODNTNCF-HOCLYGCPSA-N 2 2 390.325 3.550 20 0 GHADLP C[C@H]([NH2+]Cc1ncc(Br)cc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001474397089 1074384779 /nfs/dbraw/zinc/38/47/79/1074384779.db2.gz SAYPSPBODNTNCF-HOCLYGCPSA-N 2 2 390.325 3.550 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCc2ccc(F)cc21 ZINC001474607661 1074482356 /nfs/dbraw/zinc/48/23/56/1074482356.db2.gz CGJNWDNSBBACPL-LJQANCHMSA-N 2 2 398.522 3.699 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCc2ccc(F)cc21 ZINC001474607661 1074482358 /nfs/dbraw/zinc/48/23/58/1074482358.db2.gz CGJNWDNSBBACPL-LJQANCHMSA-N 2 2 398.522 3.699 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825416083 608159584 /nfs/dbraw/zinc/15/95/84/608159584.db2.gz HCZFZLUAVXFCHZ-QGZVFWFLSA-N 2 2 391.523 3.561 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825416083 608159586 /nfs/dbraw/zinc/15/95/86/608159586.db2.gz HCZFZLUAVXFCHZ-QGZVFWFLSA-N 2 2 391.523 3.561 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548677 609143914 /nfs/dbraw/zinc/14/39/14/609143914.db2.gz YXXMULFTXOZAGZ-HOTGVXAUSA-N 2 2 394.498 3.882 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824554408 609338128 /nfs/dbraw/zinc/33/81/28/609338128.db2.gz PPIZWVSKZWAXFI-XFQAVAEZSA-N 2 2 394.498 3.567 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824554408 609338129 /nfs/dbraw/zinc/33/81/29/609338129.db2.gz PPIZWVSKZWAXFI-XFQAVAEZSA-N 2 2 394.498 3.567 20 0 GHADLP Cc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc(C2CC2)[nH+]1 ZINC001164795742 721501581 /nfs/dbraw/zinc/50/15/81/721501581.db2.gz LKXHZMAIWRNJNJ-UHFFFAOYSA-N 2 2 377.536 3.938 20 0 GHADLP Cc1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc(C2CC2)[nH+]1 ZINC001164795742 721501584 /nfs/dbraw/zinc/50/15/84/721501584.db2.gz LKXHZMAIWRNJNJ-UHFFFAOYSA-N 2 2 377.536 3.938 20 0 GHADLP COc1ccc(C)[nH+]c1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906683 721702809 /nfs/dbraw/zinc/70/28/09/721702809.db2.gz OLWSHXKHVTWBNU-HXUWFJFHSA-N 2 2 388.462 3.531 20 0 GHADLP COc1ccc(C)[nH+]c1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906683 721702813 /nfs/dbraw/zinc/70/28/13/721702813.db2.gz OLWSHXKHVTWBNU-HXUWFJFHSA-N 2 2 388.462 3.531 20 0 GHADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CCC(C[NH+](C)C)CC3)c12 ZINC001165045645 721949022 /nfs/dbraw/zinc/94/90/22/721949022.db2.gz UBBFKJTVOBIUBE-UHFFFAOYSA-N 2 2 377.536 3.874 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(OCc2cccnc2)cc1 ZINC000655689413 837609479 /nfs/dbraw/zinc/60/94/79/837609479.db2.gz CUTBIMVOCCRQEY-PGRDOPGGSA-N 2 2 381.520 3.565 20 0 GHADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000583456605 834409513 /nfs/dbraw/zinc/40/95/13/834409513.db2.gz NNWJXAAHCSDZOT-OOKSDGMUSA-N 2 2 383.536 3.729 20 0 GHADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000583456605 834409518 /nfs/dbraw/zinc/40/95/18/834409518.db2.gz NNWJXAAHCSDZOT-OOKSDGMUSA-N 2 2 383.536 3.729 20 0 GHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)o1 ZINC000430166067 834723968 /nfs/dbraw/zinc/72/39/68/834723968.db2.gz NQIUAPXEMJSMPC-HSZRJFAPSA-N 2 2 376.504 3.968 20 0 GHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)o1 ZINC000430166067 834723971 /nfs/dbraw/zinc/72/39/71/834723971.db2.gz NQIUAPXEMJSMPC-HSZRJFAPSA-N 2 2 376.504 3.968 20 0 GHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)o1 ZINC000430166067 834723973 /nfs/dbraw/zinc/72/39/73/834723973.db2.gz NQIUAPXEMJSMPC-HSZRJFAPSA-N 2 2 376.504 3.968 20 0 GHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)o1 ZINC000430166067 834723977 /nfs/dbraw/zinc/72/39/77/834723977.db2.gz NQIUAPXEMJSMPC-HSZRJFAPSA-N 2 2 376.504 3.968 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773939 834742890 /nfs/dbraw/zinc/74/28/90/834742890.db2.gz WMEBAKROHPWPGD-GOSISDBHSA-N 2 2 392.469 3.837 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773939 834742893 /nfs/dbraw/zinc/74/28/93/834742893.db2.gz WMEBAKROHPWPGD-GOSISDBHSA-N 2 2 392.469 3.837 20 0 GHADLP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000140008609 834769983 /nfs/dbraw/zinc/76/99/83/834769983.db2.gz OVUYXUJPDXQJAE-KRWDZBQOSA-N 2 2 380.517 3.576 20 0 GHADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000140008609 834769991 /nfs/dbraw/zinc/76/99/91/834769991.db2.gz OVUYXUJPDXQJAE-KRWDZBQOSA-N 2 2 380.517 3.576 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC000224366207 834869643 /nfs/dbraw/zinc/86/96/43/834869643.db2.gz AMFVTDQVWXGMCN-UHFFFAOYSA-N 3 2 391.603 3.990 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782844748 837831907 /nfs/dbraw/zinc/83/19/07/837831907.db2.gz FARSGASSEJVXCN-GHTZIAJQSA-N 2 2 397.485 3.622 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782844748 837831921 /nfs/dbraw/zinc/83/19/21/837831921.db2.gz FARSGASSEJVXCN-GHTZIAJQSA-N 2 2 397.485 3.622 20 0 GHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000583784730 835039599 /nfs/dbraw/zinc/03/95/99/835039599.db2.gz SAALCIRNJFXWPI-UHFFFAOYSA-N 2 2 394.563 3.636 20 0 GHADLP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000140925571 835069515 /nfs/dbraw/zinc/06/95/15/835069515.db2.gz CXDVLCJIRPDCQD-UHFFFAOYSA-N 2 2 388.515 3.573 20 0 GHADLP CCC1CCC([N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C2CC2)CC1 ZINC001167070098 835181989 /nfs/dbraw/zinc/18/19/89/835181989.db2.gz CWTLPOJCRKJBOD-UHFFFAOYSA-N 2 2 389.609 3.826 20 0 GHADLP CCC1CCC([N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C2CC2)CC1 ZINC001167070098 835181991 /nfs/dbraw/zinc/18/19/91/835181991.db2.gz CWTLPOJCRKJBOD-UHFFFAOYSA-N 2 2 389.609 3.826 20 0 GHADLP Brc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@H]2CCCO2)cc1 ZINC000685662119 835278787 /nfs/dbraw/zinc/27/87/87/835278787.db2.gz FPWPKZYRBMAGMY-OLMNPRSZSA-N 2 2 376.298 3.539 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N(C(C)C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccn12 ZINC000655158461 835313956 /nfs/dbraw/zinc/31/39/56/835313956.db2.gz BCGQJLJAQXLWSA-OAQYLSRUSA-N 2 2 376.504 3.768 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N(C(C)C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccn12 ZINC000655158461 835313961 /nfs/dbraw/zinc/31/39/61/835313961.db2.gz BCGQJLJAQXLWSA-OAQYLSRUSA-N 2 2 376.504 3.768 20 0 GHADLP CS(=O)(=O)C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC000658198006 835504324 /nfs/dbraw/zinc/50/43/24/835504324.db2.gz AWWLEWJVEHRMGG-WKCHPHFGSA-N 2 2 390.593 3.519 20 0 GHADLP CS(=O)(=O)C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000658198006 835504329 /nfs/dbraw/zinc/50/43/29/835504329.db2.gz AWWLEWJVEHRMGG-WKCHPHFGSA-N 2 2 390.593 3.519 20 0 GHADLP C[C@H]1CCc2c(sc3nc(CC[N@@H+]4CCC[C@H](c5[nH]cc[nH+]5)C4)nc(N)c32)C1 ZINC000471185493 835528354 /nfs/dbraw/zinc/52/83/54/835528354.db2.gz JCWULZWQVVLDPY-KBPBESRZSA-N 2 2 396.564 3.544 20 0 GHADLP C[C@H]1CCc2c(sc3nc(CC[N@H+]4CCC[C@H](c5[nH]cc[nH+]5)C4)nc(N)c32)C1 ZINC000471185493 835528357 /nfs/dbraw/zinc/52/83/57/835528357.db2.gz JCWULZWQVVLDPY-KBPBESRZSA-N 2 2 396.564 3.544 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647320955 835537751 /nfs/dbraw/zinc/53/77/51/835537751.db2.gz NWLZCKDIRCJXSQ-RLLQIKCJSA-N 2 2 383.561 3.825 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647320955 835537755 /nfs/dbraw/zinc/53/77/55/835537755.db2.gz NWLZCKDIRCJXSQ-RLLQIKCJSA-N 2 2 383.561 3.825 20 0 GHADLP Cc1cc(Br)cc2c1[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CC2 ZINC000658296784 835561494 /nfs/dbraw/zinc/56/14/94/835561494.db2.gz VWEOJNVXPIKTQO-MSOLQXFVSA-N 2 2 379.342 3.588 20 0 GHADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548865953 835565672 /nfs/dbraw/zinc/56/56/72/835565672.db2.gz UISFYPSNMDJMLP-SBHAEUEKSA-N 2 2 394.563 3.707 20 0 GHADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548865953 835565678 /nfs/dbraw/zinc/56/56/78/835565678.db2.gz UISFYPSNMDJMLP-SBHAEUEKSA-N 2 2 394.563 3.707 20 0 GHADLP COC1(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CCOCC1 ZINC000276945929 844107630 /nfs/dbraw/zinc/10/76/30/844107630.db2.gz BGERYAGNYGOIGX-UHFFFAOYSA-N 2 2 391.515 3.884 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc(OC)c1OC ZINC000092587791 844122805 /nfs/dbraw/zinc/12/28/05/844122805.db2.gz FHBVHDURZRGVNQ-SFHVURJKSA-N 2 2 376.541 3.656 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc(OC)c1OC ZINC000092587791 844122816 /nfs/dbraw/zinc/12/28/16/844122816.db2.gz FHBVHDURZRGVNQ-SFHVURJKSA-N 2 2 376.541 3.656 20 0 GHADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000535665683 844127753 /nfs/dbraw/zinc/12/77/53/844127753.db2.gz ZXACVXFGKJGDIC-KRWDZBQOSA-N 2 2 381.307 3.992 20 0 GHADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000535665683 844127761 /nfs/dbraw/zinc/12/77/61/844127761.db2.gz ZXACVXFGKJGDIC-KRWDZBQOSA-N 2 2 381.307 3.992 20 0 GHADLP C[N@H+](Cc1c[nH]nc1-c1cccs1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645207 844142951 /nfs/dbraw/zinc/14/29/51/844142951.db2.gz BBYYXTWDXIPXCK-UHFFFAOYSA-N 2 2 381.549 3.672 20 0 GHADLP C[N@@H+](Cc1c[nH]nc1-c1cccs1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645207 844142959 /nfs/dbraw/zinc/14/29/59/844142959.db2.gz BBYYXTWDXIPXCK-UHFFFAOYSA-N 2 2 381.549 3.672 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000092664595 844156924 /nfs/dbraw/zinc/15/69/24/844156924.db2.gz MCWYYJDNSYTMFZ-BGYRXZFFSA-N 2 2 396.554 3.878 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000092664595 844156929 /nfs/dbraw/zinc/15/69/29/844156929.db2.gz MCWYYJDNSYTMFZ-BGYRXZFFSA-N 2 2 396.554 3.878 20 0 GHADLP CCC(=O)N1CCC[N@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001167122240 836417792 /nfs/dbraw/zinc/41/77/92/836417792.db2.gz DIQGPVYVFYOUGG-DEOSSOPVSA-N 2 2 393.575 3.847 20 0 GHADLP CCC(=O)N1CCC[N@@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001167122240 836417798 /nfs/dbraw/zinc/41/77/98/836417798.db2.gz DIQGPVYVFYOUGG-DEOSSOPVSA-N 2 2 393.575 3.847 20 0 GHADLP CCC(=O)N1CCC[NH+](C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001167122240 836417802 /nfs/dbraw/zinc/41/78/02/836417802.db2.gz DIQGPVYVFYOUGG-DEOSSOPVSA-N 2 2 393.575 3.847 20 0 GHADLP CCC(=O)N1CCC[NH+](C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001167122240 836417807 /nfs/dbraw/zinc/41/78/07/836417807.db2.gz DIQGPVYVFYOUGG-DEOSSOPVSA-N 2 2 393.575 3.847 20 0 GHADLP O=C(CC[NH+]1CCC(n2cc[nH+]c2)CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000109796110 836706258 /nfs/dbraw/zinc/70/62/58/836706258.db2.gz AIYVTRIXRYEDRE-QFIPXVFZSA-N 2 2 394.544 3.877 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)C2 ZINC000376063819 836732343 /nfs/dbraw/zinc/73/23/43/836732343.db2.gz BIICDRVUPLIEER-LJQANCHMSA-N 2 2 382.552 3.795 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)C2 ZINC000376063819 836732348 /nfs/dbraw/zinc/73/23/48/836732348.db2.gz BIICDRVUPLIEER-LJQANCHMSA-N 2 2 382.552 3.795 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)CC2 ZINC000376063819 836732357 /nfs/dbraw/zinc/73/23/57/836732357.db2.gz BIICDRVUPLIEER-LJQANCHMSA-N 2 2 382.552 3.795 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)CC2 ZINC000376063819 836732365 /nfs/dbraw/zinc/73/23/65/836732365.db2.gz BIICDRVUPLIEER-LJQANCHMSA-N 2 2 382.552 3.795 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1 ZINC000511379688 836786609 /nfs/dbraw/zinc/78/66/09/836786609.db2.gz PPSBEUKWWFSRFS-UIFIKXQLSA-N 2 2 379.976 3.566 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1 ZINC000511379688 836786617 /nfs/dbraw/zinc/78/66/17/836786617.db2.gz PPSBEUKWWFSRFS-UIFIKXQLSA-N 2 2 379.976 3.566 20 0 GHADLP C[C@@H]1CCCC[NH+]1CCCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000511379688 836786623 /nfs/dbraw/zinc/78/66/23/836786623.db2.gz PPSBEUKWWFSRFS-UIFIKXQLSA-N 2 2 379.976 3.566 20 0 GHADLP C[C@@H]1CCCC[NH+]1CCCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000511379688 836786631 /nfs/dbraw/zinc/78/66/31/836786631.db2.gz PPSBEUKWWFSRFS-UIFIKXQLSA-N 2 2 379.976 3.566 20 0 GHADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000431687269 836810386 /nfs/dbraw/zinc/81/03/86/836810386.db2.gz WXYSTJGTGFYDIH-PZJWPPBQSA-N 2 2 383.540 3.572 20 0 GHADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)N1CCSc2ccccc21 ZINC000543988593 836847391 /nfs/dbraw/zinc/84/73/91/836847391.db2.gz DASOZLFBTSDERF-UHFFFAOYSA-N 2 2 384.549 3.514 20 0 GHADLP c1ccc(SCC[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000510238640 836921045 /nfs/dbraw/zinc/92/10/45/836921045.db2.gz PZKZTGXQSOECRC-OAQYLSRUSA-N 2 2 396.604 3.708 20 0 GHADLP c1ccc(SCC[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000510238640 836921049 /nfs/dbraw/zinc/92/10/49/836921049.db2.gz PZKZTGXQSOECRC-OAQYLSRUSA-N 2 2 396.604 3.708 20 0 GHADLP CN(C(=O)N[C@@H]1CCC(C)(C)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000511393710 836939017 /nfs/dbraw/zinc/93/90/17/836939017.db2.gz HWUFKEACBZSPAS-MISYRCLQSA-N 2 2 378.605 3.544 20 0 GHADLP CN(C(=O)N[C@@H]1CCC(C)(C)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000511393710 836939023 /nfs/dbraw/zinc/93/90/23/836939023.db2.gz HWUFKEACBZSPAS-MISYRCLQSA-N 2 2 378.605 3.544 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)CC1 ZINC000510257494 837096268 /nfs/dbraw/zinc/09/62/68/837096268.db2.gz FVIMCEAQCLKCOJ-UHFFFAOYSA-N 2 2 388.581 3.830 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)CC1 ZINC000510257494 837096279 /nfs/dbraw/zinc/09/62/79/837096279.db2.gz FVIMCEAQCLKCOJ-UHFFFAOYSA-N 2 2 388.581 3.830 20 0 GHADLP C[NH+](C)CCc1ccccc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278804157 837220118 /nfs/dbraw/zinc/22/01/18/837220118.db2.gz NCLSUOCHEJAIHI-UHFFFAOYSA-N 2 2 395.551 3.735 20 0 GHADLP CN(C)c1cc(Cl)cc(Cl)c1CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685848047 837270504 /nfs/dbraw/zinc/27/05/04/837270504.db2.gz UDCSBBYYIYJUDS-KRWDZBQOSA-N 2 2 399.410 3.660 20 0 GHADLP CN(C)c1cc(Cl)cc(Cl)c1CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685848047 837270511 /nfs/dbraw/zinc/27/05/11/837270511.db2.gz UDCSBBYYIYJUDS-KRWDZBQOSA-N 2 2 399.410 3.660 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(OC)c1OC ZINC000685850929 837304566 /nfs/dbraw/zinc/30/45/66/837304566.db2.gz OHCZDEYJXXSQTA-FPOVZHCZSA-N 2 2 396.531 3.666 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(OC)c1OC ZINC000685850929 837304575 /nfs/dbraw/zinc/30/45/75/837304575.db2.gz OHCZDEYJXXSQTA-FPOVZHCZSA-N 2 2 396.531 3.666 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(OC)c1OC ZINC000685850929 837304585 /nfs/dbraw/zinc/30/45/85/837304585.db2.gz OHCZDEYJXXSQTA-FPOVZHCZSA-N 2 2 396.531 3.666 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(OC)c1OC ZINC000685850929 837304594 /nfs/dbraw/zinc/30/45/94/837304594.db2.gz OHCZDEYJXXSQTA-FPOVZHCZSA-N 2 2 396.531 3.666 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C2CCN(Cc3ccccn3)CC2)c(C)c1 ZINC000414359972 837354730 /nfs/dbraw/zinc/35/47/30/837354730.db2.gz LRBOFQPLXMGHOU-DEOSSOPVSA-N 2 2 389.547 3.890 20 0 GHADLP OCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000655766543 837842911 /nfs/dbraw/zinc/84/29/11/837842911.db2.gz IKFOTJYYWQZSKW-LPHOPBHVSA-N 2 2 387.351 3.650 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCSc2ccc(F)cc2F)CC1 ZINC000659863471 837874579 /nfs/dbraw/zinc/87/45/79/837874579.db2.gz JHBIPCDUWHXCBZ-IAGOWNOFSA-N 2 2 383.552 3.547 20 0 GHADLP Cc1cc(CCCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)s1 ZINC000177310183 837877998 /nfs/dbraw/zinc/87/79/98/837877998.db2.gz AHUCFDBSLIIUNU-UHFFFAOYSA-N 2 2 391.625 3.754 20 0 GHADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCNc1cccc[nH+]1 ZINC000163801784 838039599 /nfs/dbraw/zinc/03/95/99/838039599.db2.gz ASRFEFYYDKQOQZ-AWEZNQCLSA-N 2 2 380.414 3.909 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655847608 838046000 /nfs/dbraw/zinc/04/60/00/838046000.db2.gz CIVYDDPQITUAAH-VQTJNVASSA-N 2 2 375.944 3.551 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655847608 838046008 /nfs/dbraw/zinc/04/60/08/838046008.db2.gz CIVYDDPQITUAAH-VQTJNVASSA-N 2 2 375.944 3.551 20 0 GHADLP Cn1ccnc1[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000139409917 838258061 /nfs/dbraw/zinc/25/80/61/838258061.db2.gz QTAFIZZSJGFVCW-OAQYLSRUSA-N 2 2 398.938 3.893 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000415951973 838308226 /nfs/dbraw/zinc/30/82/26/838308226.db2.gz FVDZXEBJZIOFJX-ZWKOTPCHSA-N 2 2 376.863 3.505 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000415951973 838308231 /nfs/dbraw/zinc/30/82/31/838308231.db2.gz FVDZXEBJZIOFJX-ZWKOTPCHSA-N 2 2 376.863 3.505 20 0 GHADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000182092290 838324904 /nfs/dbraw/zinc/32/49/04/838324904.db2.gz TWMWBEOBIHGNGH-AWEZNQCLSA-N 2 2 378.314 3.646 20 0 GHADLP COc1ccc(Br)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000182092290 838324910 /nfs/dbraw/zinc/32/49/10/838324910.db2.gz TWMWBEOBIHGNGH-AWEZNQCLSA-N 2 2 378.314 3.646 20 0 GHADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cc1 ZINC000548011160 838460814 /nfs/dbraw/zinc/46/08/14/838460814.db2.gz YCBBUKKFQIBSCY-RDJZCZTQSA-N 2 2 384.549 3.758 20 0 GHADLP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cc1 ZINC000548011160 838460820 /nfs/dbraw/zinc/46/08/20/838460820.db2.gz YCBBUKKFQIBSCY-RDJZCZTQSA-N 2 2 384.549 3.758 20 0 GHADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(Cl)cc1C(F)(F)F ZINC001143505521 839436326 /nfs/dbraw/zinc/43/63/26/839436326.db2.gz RQADZBCZRGFGQX-DLBZAZTESA-N 2 2 375.866 3.569 20 0 GHADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(Cl)cc1C(F)(F)F ZINC001143505521 839436332 /nfs/dbraw/zinc/43/63/32/839436332.db2.gz RQADZBCZRGFGQX-DLBZAZTESA-N 2 2 375.866 3.569 20 0 GHADLP Cc1cc(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cn2cc[nH+]c12 ZINC000580407541 839503321 /nfs/dbraw/zinc/50/33/21/839503321.db2.gz JNAOURGWCCGDLB-GOSISDBHSA-N 2 2 377.492 3.771 20 0 GHADLP Cc1cc(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cn2cc[nH+]c12 ZINC000580407541 839503327 /nfs/dbraw/zinc/50/33/27/839503327.db2.gz JNAOURGWCCGDLB-GOSISDBHSA-N 2 2 377.492 3.771 20 0 GHADLP CCC(CC)(C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000580458350 839590510 /nfs/dbraw/zinc/59/05/10/839590510.db2.gz MBDSYTPEZUQGBC-DFQSSKMNSA-N 2 2 380.598 3.841 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cnn(Cc2ccccc2)c1 ZINC000163741183 839622468 /nfs/dbraw/zinc/62/24/68/839622468.db2.gz ZFZLUUZUPWIOFG-HXUWFJFHSA-N 2 2 390.531 3.614 20 0 GHADLP Cc1ccc(-c2ncc(C[NH+]3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)s2)cc1C ZINC000656251455 839808759 /nfs/dbraw/zinc/80/87/59/839808759.db2.gz HGSGDEOVMBUHJR-HXUWFJFHSA-N 2 2 384.593 3.639 20 0 GHADLP Cc1ccc(-c2ncc(C[NH+]3CCN([C@@H]4CCC[N@H+](C)C4)CC3)s2)cc1C ZINC000656251455 839808765 /nfs/dbraw/zinc/80/87/65/839808765.db2.gz HGSGDEOVMBUHJR-HXUWFJFHSA-N 2 2 384.593 3.639 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1oc2ccccc2c1Br ZINC000656254256 839840557 /nfs/dbraw/zinc/84/05/57/839840557.db2.gz DYTYQHFBBWSUAT-KMFMINBZSA-N 2 2 393.325 3.879 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1oc2ccccc2c1Br ZINC000656254256 839840563 /nfs/dbraw/zinc/84/05/63/839840563.db2.gz DYTYQHFBBWSUAT-KMFMINBZSA-N 2 2 393.325 3.879 20 0 GHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000535800454 844477914 /nfs/dbraw/zinc/47/79/14/844477914.db2.gz BBXFXXCDVKMUQP-AEFFLSMTSA-N 2 2 378.442 3.950 20 0 GHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000535800454 844477919 /nfs/dbraw/zinc/47/79/19/844477919.db2.gz BBXFXXCDVKMUQP-AEFFLSMTSA-N 2 2 378.442 3.950 20 0 GHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000535800454 844477925 /nfs/dbraw/zinc/47/79/25/844477925.db2.gz BBXFXXCDVKMUQP-AEFFLSMTSA-N 2 2 378.442 3.950 20 0 GHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000535800454 844477931 /nfs/dbraw/zinc/47/79/31/844477931.db2.gz BBXFXXCDVKMUQP-AEFFLSMTSA-N 2 2 378.442 3.950 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1c(Cl)cccc1Cl ZINC000601476549 840155629 /nfs/dbraw/zinc/15/56/29/840155629.db2.gz FPBWMBFMXJPWKP-HOCLYGCPSA-N 2 2 398.378 3.724 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1c(Cl)cccc1Cl ZINC000601476549 840155634 /nfs/dbraw/zinc/15/56/34/840155634.db2.gz FPBWMBFMXJPWKP-HOCLYGCPSA-N 2 2 398.378 3.724 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC[C@H]1Sc2ccccc2NC1=O ZINC000660125451 840316548 /nfs/dbraw/zinc/31/65/48/840316548.db2.gz IHMZMGMFBWQMAB-HXUWFJFHSA-N 2 2 383.561 3.990 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC[C@H]1Sc2ccccc2NC1=O ZINC000660125451 840316561 /nfs/dbraw/zinc/31/65/61/840316561.db2.gz IHMZMGMFBWQMAB-HXUWFJFHSA-N 2 2 383.561 3.990 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000581040413 840623905 /nfs/dbraw/zinc/62/39/05/840623905.db2.gz MARJSFOUQZJUKB-UHFFFAOYSA-N 2 2 375.419 3.540 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417347101 840756877 /nfs/dbraw/zinc/75/68/77/840756877.db2.gz WPMSWXLZNDOUED-YSIASYRMSA-N 2 2 386.561 3.741 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(Br)cn1 ZINC000581226150 840886389 /nfs/dbraw/zinc/88/63/89/840886389.db2.gz YVONVKDWSWERQI-HNNXBMFYSA-N 2 2 390.325 3.527 20 0 GHADLP Cc1nc(C[N@H+]2CCCN(Cc3[nH+]c(C(C)C)n4ccccc34)CC2)oc1C ZINC000651635891 841192010 /nfs/dbraw/zinc/19/20/10/841192010.db2.gz OSBWAFZXAJZDAI-UHFFFAOYSA-N 2 2 381.524 3.770 20 0 GHADLP Cc1nc(C[N@@H+]2CCCN(Cc3[nH+]c(C(C)C)n4ccccc34)CC2)oc1C ZINC000651635891 841192011 /nfs/dbraw/zinc/19/20/11/841192011.db2.gz OSBWAFZXAJZDAI-UHFFFAOYSA-N 2 2 381.524 3.770 20 0 GHADLP COc1ccc(-c2cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)on2)cc1 ZINC000684212111 841199440 /nfs/dbraw/zinc/19/94/40/841199440.db2.gz NIXCRLARNJRLOO-OYRHEFFESA-N 2 2 389.499 3.914 20 0 GHADLP COc1ccc(-c2cc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)on2)cc1 ZINC000684212111 841199450 /nfs/dbraw/zinc/19/94/50/841199450.db2.gz NIXCRLARNJRLOO-OYRHEFFESA-N 2 2 389.499 3.914 20 0 GHADLP COc1ccc(-c2cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)on2)cc1 ZINC000684212111 841199459 /nfs/dbraw/zinc/19/94/59/841199459.db2.gz NIXCRLARNJRLOO-OYRHEFFESA-N 2 2 389.499 3.914 20 0 GHADLP COc1ccc(-c2cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)on2)cc1 ZINC000684212111 841199470 /nfs/dbraw/zinc/19/94/70/841199470.db2.gz NIXCRLARNJRLOO-OYRHEFFESA-N 2 2 389.499 3.914 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000107697424 841425265 /nfs/dbraw/zinc/42/52/65/841425265.db2.gz GHDWEEQTSVQAPI-NRFANRHFSA-N 2 2 395.551 3.564 20 0 GHADLP Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000177693796 861210484 /nfs/dbraw/zinc/21/04/84/861210484.db2.gz JENTUXPNNDVKBZ-UHFFFAOYSA-N 2 2 388.515 3.709 20 0 GHADLP COc1ccc([C@H](C)[C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1OC ZINC000474870761 861222771 /nfs/dbraw/zinc/22/27/71/861222771.db2.gz SDQTVWADQNMONK-UWVAXJGDSA-N 2 2 398.551 3.843 20 0 GHADLP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000623600736 861238133 /nfs/dbraw/zinc/23/81/33/861238133.db2.gz ZXKLAUYCXNALCM-MRXNPFEDSA-N 2 2 378.442 3.726 20 0 GHADLP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000623600736 861238146 /nfs/dbraw/zinc/23/81/46/861238146.db2.gz ZXKLAUYCXNALCM-MRXNPFEDSA-N 2 2 378.442 3.726 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cc(F)ccc3OC(F)F)[nH+]c2)CC1 ZINC000656770765 841908238 /nfs/dbraw/zinc/90/82/38/841908238.db2.gz QDJLKAIAOGTZKK-UHFFFAOYSA-N 2 2 394.441 3.965 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)N1c2ccccc2C[C@H]1C ZINC000432350593 842134195 /nfs/dbraw/zinc/13/41/95/842134195.db2.gz ZGOAPDLHTKCADG-FAKFISEUSA-N 2 2 391.559 3.995 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)N1c2ccccc2C[C@H]1C ZINC000432350593 842134202 /nfs/dbraw/zinc/13/42/02/842134202.db2.gz ZGOAPDLHTKCADG-FAKFISEUSA-N 2 2 391.559 3.995 20 0 GHADLP FC(F)(F)Cn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000647192988 842500449 /nfs/dbraw/zinc/50/04/49/842500449.db2.gz GZTGYSSXRHUGMG-SFHVURJKSA-N 2 2 378.442 3.732 20 0 GHADLP FC(F)(F)Cn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000647192988 842500455 /nfs/dbraw/zinc/50/04/55/842500455.db2.gz GZTGYSSXRHUGMG-SFHVURJKSA-N 2 2 378.442 3.732 20 0 GHADLP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000248459043 842683726 /nfs/dbraw/zinc/68/37/26/842683726.db2.gz VHTMLKHWMJNASX-ZCYQVOJMSA-N 2 2 387.527 3.918 20 0 GHADLP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000248459043 842683733 /nfs/dbraw/zinc/68/37/33/842683733.db2.gz VHTMLKHWMJNASX-ZCYQVOJMSA-N 2 2 387.527 3.918 20 0 GHADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000581938518 842767614 /nfs/dbraw/zinc/76/76/14/842767614.db2.gz GGDFVBWJAGBYLJ-IBGZPJMESA-N 2 2 397.567 3.881 20 0 GHADLP CC[C@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)CC[C@@H]1[NH3+] ZINC000662271693 843048876 /nfs/dbraw/zinc/04/88/76/843048876.db2.gz YIOHZNZYUVFDNL-AAEUAGOBSA-N 2 2 395.263 3.949 20 0 GHADLP CC[C@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)CC[C@@H]1[NH3+] ZINC000662271693 843048882 /nfs/dbraw/zinc/04/88/82/843048882.db2.gz YIOHZNZYUVFDNL-AAEUAGOBSA-N 2 2 395.263 3.949 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000432305581 843050242 /nfs/dbraw/zinc/05/02/42/843050242.db2.gz CHZMPZQKWAADEN-ROUUACIJSA-N 2 2 388.515 3.805 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000432305581 843050250 /nfs/dbraw/zinc/05/02/50/843050250.db2.gz CHZMPZQKWAADEN-ROUUACIJSA-N 2 2 388.515 3.805 20 0 GHADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(OC)c(OCc3cccnc3)c2)CC1 ZINC000639380000 861380351 /nfs/dbraw/zinc/38/03/51/861380351.db2.gz VCABIVMJMHVUAH-UHFFFAOYSA-N 2 2 383.536 3.975 20 0 GHADLP Clc1cnc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c(Cl)c1 ZINC000662327108 843155179 /nfs/dbraw/zinc/15/51/79/843155179.db2.gz JMKXCLNEOJUKBI-UHFFFAOYSA-N 2 2 394.350 3.958 20 0 GHADLP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512236839 843171044 /nfs/dbraw/zinc/17/10/44/843171044.db2.gz KRPXXOOPKYJYEJ-PXDATVDWSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512236839 843171055 /nfs/dbraw/zinc/17/10/55/843171055.db2.gz KRPXXOOPKYJYEJ-PXDATVDWSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512236839 843171063 /nfs/dbraw/zinc/17/10/63/843171063.db2.gz KRPXXOOPKYJYEJ-PXDATVDWSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512236839 843171074 /nfs/dbraw/zinc/17/10/74/843171074.db2.gz KRPXXOOPKYJYEJ-PXDATVDWSA-N 2 2 391.559 3.598 20 0 GHADLP FC(F)(F)C(F)(F)COCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512268297 843274059 /nfs/dbraw/zinc/27/40/59/843274059.db2.gz HZDCGADUYSEJSK-QGZVFWFLSA-N 2 2 392.412 3.799 20 0 GHADLP FC(F)(F)C(F)(F)COCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512268297 843274066 /nfs/dbraw/zinc/27/40/66/843274066.db2.gz HZDCGADUYSEJSK-QGZVFWFLSA-N 2 2 392.412 3.799 20 0 GHADLP FC(F)(F)C(F)(F)COCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512268297 843274082 /nfs/dbraw/zinc/27/40/82/843274082.db2.gz HZDCGADUYSEJSK-QGZVFWFLSA-N 2 2 392.412 3.799 20 0 GHADLP FC(F)(F)C(F)(F)COCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512268297 843274092 /nfs/dbraw/zinc/27/40/92/843274092.db2.gz HZDCGADUYSEJSK-QGZVFWFLSA-N 2 2 392.412 3.799 20 0 GHADLP COc1ccc(C(=O)CC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512292401 843329307 /nfs/dbraw/zinc/32/93/07/843329307.db2.gz PETISUHHLSYMMG-DEOSSOPVSA-N 2 2 378.516 3.866 20 0 GHADLP COc1ccc(C(=O)CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512292401 843329316 /nfs/dbraw/zinc/32/93/16/843329316.db2.gz PETISUHHLSYMMG-DEOSSOPVSA-N 2 2 378.516 3.866 20 0 GHADLP COc1ccc(C(=O)CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512292401 843329328 /nfs/dbraw/zinc/32/93/28/843329328.db2.gz PETISUHHLSYMMG-DEOSSOPVSA-N 2 2 378.516 3.866 20 0 GHADLP COc1ccc(C(=O)CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512292401 843329340 /nfs/dbraw/zinc/32/93/40/843329340.db2.gz PETISUHHLSYMMG-DEOSSOPVSA-N 2 2 378.516 3.866 20 0 GHADLP CC(C)(C)c1n[nH]cc1C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000500453952 843480322 /nfs/dbraw/zinc/48/03/22/843480322.db2.gz XELRBIXSJIKIJO-UHFFFAOYSA-N 2 2 389.975 3.663 20 0 GHADLP CN(C(=O)c1coc(C(F)F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000626262179 843555604 /nfs/dbraw/zinc/55/56/04/843555604.db2.gz XUSUESYARBSMDV-IRXDYDNUSA-N 2 2 383.483 3.626 20 0 GHADLP CN(C(=O)c1coc(C(F)F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000626262179 843555608 /nfs/dbraw/zinc/55/56/08/843555608.db2.gz XUSUESYARBSMDV-IRXDYDNUSA-N 2 2 383.483 3.626 20 0 GHADLP CO[C@@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CCC1 ZINC000660536390 843728117 /nfs/dbraw/zinc/72/81/17/843728117.db2.gz QCNOMANWPJEDTR-INIZCTEOSA-N 2 2 382.302 3.556 20 0 GHADLP CO[C@@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CCC1 ZINC000660536390 843728125 /nfs/dbraw/zinc/72/81/25/843728125.db2.gz QCNOMANWPJEDTR-INIZCTEOSA-N 2 2 382.302 3.556 20 0 GHADLP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OCc1c(C)noc1C ZINC000237417896 843939580 /nfs/dbraw/zinc/93/95/80/843939580.db2.gz OCJCGPDGKHVUNY-PMACEKPBSA-N 2 2 385.508 3.595 20 0 GHADLP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OCc1c(C)noc1C ZINC000237417896 843939586 /nfs/dbraw/zinc/93/95/86/843939586.db2.gz OCJCGPDGKHVUNY-PMACEKPBSA-N 2 2 385.508 3.595 20 0 GHADLP CN(C(=O)[C@@H]1CCCc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850618 844811815 /nfs/dbraw/zinc/81/18/15/844811815.db2.gz IQRKGZSBLHKBOE-SMIHKQSGSA-N 2 2 397.607 3.902 20 0 GHADLP CN(C(=O)[C@@H]1CCCc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850618 844811817 /nfs/dbraw/zinc/81/18/17/844811817.db2.gz IQRKGZSBLHKBOE-SMIHKQSGSA-N 2 2 397.607 3.902 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccsc1 ZINC000152145015 844859863 /nfs/dbraw/zinc/85/98/63/844859863.db2.gz AROWKQCYXHBXEK-BHIYHBOVSA-N 2 2 389.569 3.620 20 0 GHADLP CN(C(=O)NC1CCCCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535865782 844866395 /nfs/dbraw/zinc/86/63/95/844866395.db2.gz LXVDABIWWMBCEP-RTWAWAEBSA-N 2 2 378.605 3.688 20 0 GHADLP CN(C(=O)NC1CCCCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535865782 844866398 /nfs/dbraw/zinc/86/63/98/844866398.db2.gz LXVDABIWWMBCEP-RTWAWAEBSA-N 2 2 378.605 3.688 20 0 GHADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000512667615 844963478 /nfs/dbraw/zinc/96/34/78/844963478.db2.gz FJUMWGXKTONNEZ-HLPUOXPYSA-N 2 2 394.538 3.768 20 0 GHADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000512667615 844963493 /nfs/dbraw/zinc/96/34/93/844963493.db2.gz FJUMWGXKTONNEZ-HLPUOXPYSA-N 2 2 394.538 3.768 20 0 GHADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000261746886 845106796 /nfs/dbraw/zinc/10/67/96/845106796.db2.gz MIKRAWCXXZVODU-NZQKXSOJSA-N 2 2 388.515 3.732 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(-n2cncn2)cc1Cl ZINC000152250059 845239988 /nfs/dbraw/zinc/23/99/88/845239988.db2.gz IPRQBUAXXHYWDJ-HNNXBMFYSA-N 2 2 378.867 3.957 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000433838003 845439785 /nfs/dbraw/zinc/43/97/85/845439785.db2.gz IHRCNNPRWYHXDQ-UHFFFAOYSA-N 2 2 399.501 3.625 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000433838003 845439797 /nfs/dbraw/zinc/43/97/97/845439797.db2.gz IHRCNNPRWYHXDQ-UHFFFAOYSA-N 2 2 399.501 3.625 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@H+](Cc3ccccc3Cl)C3CCCC3)cn2)CC1 ZINC000513490227 845522102 /nfs/dbraw/zinc/52/21/02/845522102.db2.gz MLBSRKCYBRVAIM-UHFFFAOYSA-N 2 2 399.970 3.827 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@@H+](Cc3ccccc3Cl)C3CCCC3)cn2)CC1 ZINC000513490227 845522105 /nfs/dbraw/zinc/52/21/05/845522105.db2.gz MLBSRKCYBRVAIM-UHFFFAOYSA-N 2 2 399.970 3.827 20 0 GHADLP Clc1ccc(OCC2CC2)c(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000430019637 845597010 /nfs/dbraw/zinc/59/70/10/845597010.db2.gz HWEQFGIDOVDCBT-KRWDZBQOSA-N 2 2 378.944 3.719 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(Cl)cc1OC(F)(F)F)CC2 ZINC001143430581 845807628 /nfs/dbraw/zinc/80/76/28/845807628.db2.gz MYKXPFPEGQAFPU-UHFFFAOYSA-N 2 2 391.821 3.869 20 0 GHADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(F)c(F)c2F)CC1 ZINC000657312857 846059050 /nfs/dbraw/zinc/05/90/50/846059050.db2.gz OITVXBZFUMTNQE-UHFFFAOYSA-N 2 2 377.454 3.531 20 0 GHADLP COc1ccc([C@@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)C2CC2)c(F)c1 ZINC000421838330 846630406 /nfs/dbraw/zinc/63/04/06/846630406.db2.gz UKDMEAAVVGOKQX-VGSWGCGISA-N 2 2 384.499 3.933 20 0 GHADLP c1ccc([C@H]2C[C@H]2CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)cc1 ZINC000503012706 846727949 /nfs/dbraw/zinc/72/79/49/846727949.db2.gz DIROIWASTOTXAK-AZUAARDMSA-N 2 2 376.504 3.653 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc4c(s3)CC[C@@H](C)C4)CC2)CC1 ZINC000422006182 846744289 /nfs/dbraw/zinc/74/42/89/846744289.db2.gz KZUZPGXDXQTQSZ-QGZVFWFLSA-N 2 2 389.609 3.505 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc4c(s3)CC[C@@H](C)C4)CC2)CC1 ZINC000422006182 846744297 /nfs/dbraw/zinc/74/42/97/846744297.db2.gz KZUZPGXDXQTQSZ-QGZVFWFLSA-N 2 2 389.609 3.505 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3occc3-c3ccccc3)CC2)CC1 ZINC000422007644 846747265 /nfs/dbraw/zinc/74/72/65/846747265.db2.gz NXBMAHQWKIPYIH-UHFFFAOYSA-N 2 2 381.520 3.579 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3occc3-c3ccccc3)CC2)CC1 ZINC000422007644 846747273 /nfs/dbraw/zinc/74/72/73/846747273.db2.gz NXBMAHQWKIPYIH-UHFFFAOYSA-N 2 2 381.520 3.579 20 0 GHADLP CC[N@@H+]1CCO[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000419733565 846754334 /nfs/dbraw/zinc/75/43/34/846754334.db2.gz UGWZGOULXAWSAL-ZEQRLZLVSA-N 2 2 385.596 3.835 20 0 GHADLP CC[N@H+]1CCO[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000419733565 846754341 /nfs/dbraw/zinc/75/43/41/846754341.db2.gz UGWZGOULXAWSAL-ZEQRLZLVSA-N 2 2 385.596 3.835 20 0 GHADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000503061939 846757349 /nfs/dbraw/zinc/75/73/49/846757349.db2.gz HQHJUJBZLCGLGB-IPJJNNNSSA-N 2 2 382.552 3.842 20 0 GHADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000503061939 846757354 /nfs/dbraw/zinc/75/73/54/846757354.db2.gz HQHJUJBZLCGLGB-IPJJNNNSSA-N 2 2 382.552 3.842 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(C)(C)c3cccc(Cl)c3)CC2)CC1 ZINC000422028861 846760122 /nfs/dbraw/zinc/76/01/22/846760122.db2.gz YQGWAIABPNLJFT-UHFFFAOYSA-N 2 2 391.987 3.636 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(C)(C)c3cccc(Cl)c3)CC2)CC1 ZINC000422028861 846760128 /nfs/dbraw/zinc/76/01/28/846760128.db2.gz YQGWAIABPNLJFT-UHFFFAOYSA-N 2 2 391.987 3.636 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)NCC2(c3ccccc3)CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000503086718 846791479 /nfs/dbraw/zinc/79/14/79/846791479.db2.gz LUGYNZICWWSROR-RBBKRZOGSA-N 2 2 394.563 3.784 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)NCC2(c3ccccc3)CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000503086718 846791484 /nfs/dbraw/zinc/79/14/84/846791484.db2.gz LUGYNZICWWSROR-RBBKRZOGSA-N 2 2 394.563 3.784 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000673792357 861731294 /nfs/dbraw/zinc/73/12/94/861731294.db2.gz GGQJNHVXOAGECA-HSZRJFAPSA-N 2 2 389.503 3.854 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000673792357 861731301 /nfs/dbraw/zinc/73/13/01/861731301.db2.gz GGQJNHVXOAGECA-HSZRJFAPSA-N 2 2 389.503 3.854 20 0 GHADLP Cc1c(Br)cncc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000657412306 847070386 /nfs/dbraw/zinc/07/03/86/847070386.db2.gz HYTVOJXFULLOCD-OAHLLOKOSA-N 2 2 389.341 3.863 20 0 GHADLP COC(=O)c1cccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000420403334 847168617 /nfs/dbraw/zinc/16/86/17/847168617.db2.gz RDHJDABVGLSUAM-IEBWSBKVSA-N 2 2 385.533 3.561 20 0 GHADLP COC(=O)c1cccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000420403334 847168621 /nfs/dbraw/zinc/16/86/21/847168621.db2.gz RDHJDABVGLSUAM-IEBWSBKVSA-N 2 2 385.533 3.561 20 0 GHADLP CC(=O)Nc1ccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000272779831 847170683 /nfs/dbraw/zinc/17/06/83/847170683.db2.gz VLCCRZVKKZSWBR-INIZCTEOSA-N 2 2 381.524 3.744 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000563373527 847398641 /nfs/dbraw/zinc/39/86/41/847398641.db2.gz IMSAPSKPIVXTFO-KSSFIOAISA-N 2 2 396.457 3.806 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000563373527 847398650 /nfs/dbraw/zinc/39/86/50/847398650.db2.gz IMSAPSKPIVXTFO-KSSFIOAISA-N 2 2 396.457 3.806 20 0 GHADLP C[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000648404432 847456026 /nfs/dbraw/zinc/45/60/26/847456026.db2.gz SUNZZYAYPBFNSK-DLBZAZTESA-N 2 2 383.517 3.730 20 0 GHADLP CC(C)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc2c(c1)OCCO2 ZINC000420948236 847568139 /nfs/dbraw/zinc/56/81/39/847568139.db2.gz PLTDCKKCWBZEIB-XMMPIXPASA-N 2 2 396.531 3.777 20 0 GHADLP COc1ccccc1O[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420959128 847579464 /nfs/dbraw/zinc/57/94/64/847579464.db2.gz FULIYFKJJZGWJM-QFIPXVFZSA-N 2 2 396.531 3.571 20 0 GHADLP CC(C)[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccsc1 ZINC000421009885 847608982 /nfs/dbraw/zinc/60/89/82/847608982.db2.gz NXBVHMWVHUEKFV-SFHVURJKSA-N 2 2 386.565 3.653 20 0 GHADLP CC(C)[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccsc1 ZINC000421009885 847608986 /nfs/dbraw/zinc/60/89/86/847608986.db2.gz NXBVHMWVHUEKFV-SFHVURJKSA-N 2 2 386.565 3.653 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)CC1 ZINC000421029358 847628893 /nfs/dbraw/zinc/62/88/93/847628893.db2.gz CIKYLXUFOAGANO-UHFFFAOYSA-N 2 2 398.473 3.729 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)CC1 ZINC000421029358 847628896 /nfs/dbraw/zinc/62/88/96/847628896.db2.gz CIKYLXUFOAGANO-UHFFFAOYSA-N 2 2 398.473 3.729 20 0 GHADLP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000503414571 847679510 /nfs/dbraw/zinc/67/95/10/847679510.db2.gz FPDQBXARZAHGBV-IFMALSPDSA-N 2 2 397.563 3.764 20 0 GHADLP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000503414571 847679518 /nfs/dbraw/zinc/67/95/18/847679518.db2.gz FPDQBXARZAHGBV-IFMALSPDSA-N 2 2 397.563 3.764 20 0 GHADLP CCc1ccc(NC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)cc1Cl ZINC000421115201 847733604 /nfs/dbraw/zinc/73/36/04/847733604.db2.gz UYULWJJBVFFJHH-UHFFFAOYSA-N 2 2 392.975 3.926 20 0 GHADLP CCc1ccc(NC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)cc1Cl ZINC000421115201 847733607 /nfs/dbraw/zinc/73/36/07/847733607.db2.gz UYULWJJBVFFJHH-UHFFFAOYSA-N 2 2 392.975 3.926 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc(C(C)(F)F)c3)CC2)CC1 ZINC000421104572 847747177 /nfs/dbraw/zinc/74/71/77/847747177.db2.gz ZRMLSOHQRRIZDS-UHFFFAOYSA-N 2 2 394.510 3.822 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc(C(C)(F)F)c3)CC2)CC1 ZINC000421104572 847747179 /nfs/dbraw/zinc/74/71/79/847747179.db2.gz ZRMLSOHQRRIZDS-UHFFFAOYSA-N 2 2 394.510 3.822 20 0 GHADLP COc1ccc([C@@H](NCc2ccccc2Cn2cc[nH+]c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422802405 847830485 /nfs/dbraw/zinc/83/04/85/847830485.db2.gz BHDQESRBPQGZOZ-XZOQPEGZSA-N 2 2 376.504 3.523 20 0 GHADLP COc1ccc([C@H](NCc2cccc(Cn3cc[nH+]c3)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422823519 847841534 /nfs/dbraw/zinc/84/15/34/847841534.db2.gz DNJIJHIPNNEEDX-PKTZIBPZSA-N 2 2 376.504 3.523 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000422835349 847847532 /nfs/dbraw/zinc/84/75/32/847847532.db2.gz IKRKHGSCLXCQLM-RKQHTQASSA-N 3 2 391.559 3.885 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000422835349 847847535 /nfs/dbraw/zinc/84/75/35/847847535.db2.gz IKRKHGSCLXCQLM-RKQHTQASSA-N 3 2 391.559 3.885 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCN(c3ccccc3OC)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422851890 847855042 /nfs/dbraw/zinc/85/50/42/847855042.db2.gz PRJSWTIPLJFXJY-VNZMSGEBSA-N 2 2 395.547 3.613 20 0 GHADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)s2)cc1 ZINC000422978511 847926905 /nfs/dbraw/zinc/92/69/05/847926905.db2.gz HNVQKXGZNPKOFZ-GRDNDAEWSA-N 2 2 375.538 3.545 20 0 GHADLP CN(C)c1c(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc(F)c1F ZINC000628157384 848381059 /nfs/dbraw/zinc/38/10/59/848381059.db2.gz FPRMISFNHSGXFW-UHFFFAOYSA-N 2 2 388.506 3.565 20 0 GHADLP CN(C)c1c(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc(F)c1F ZINC000628157384 848381062 /nfs/dbraw/zinc/38/10/62/848381062.db2.gz FPRMISFNHSGXFW-UHFFFAOYSA-N 2 2 388.506 3.565 20 0 GHADLP Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192355153 861926224 /nfs/dbraw/zinc/92/62/24/861926224.db2.gz CFVUXQQYVKPEKA-QFIPXVFZSA-N 2 2 394.494 3.597 20 0 GHADLP Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192355153 861926237 /nfs/dbraw/zinc/92/62/37/861926237.db2.gz CFVUXQQYVKPEKA-QFIPXVFZSA-N 2 2 394.494 3.597 20 0 GHADLP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000161720983 848705247 /nfs/dbraw/zinc/70/52/47/848705247.db2.gz CMYQJSQRTPOMSK-VXKWHMMOSA-N 2 2 389.503 3.995 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1nnc2n1CCCCC2 ZINC000582940827 848727895 /nfs/dbraw/zinc/72/78/95/848727895.db2.gz HXQDCGMUDGTFJT-IEBWSBKVSA-N 2 2 395.551 3.643 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cs2)c(OC)c1 ZINC000582968699 848786434 /nfs/dbraw/zinc/78/64/34/848786434.db2.gz UEVVWEACMNZGEA-KFWWJZLASA-N 2 2 375.538 3.633 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cs2)c(OC)c1 ZINC000582968699 848786435 /nfs/dbraw/zinc/78/64/35/848786435.db2.gz UEVVWEACMNZGEA-KFWWJZLASA-N 2 2 375.538 3.633 20 0 GHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(OCc3noc(C)n3)cc2)C1 ZINC000122940232 849033664 /nfs/dbraw/zinc/03/36/64/849033664.db2.gz KWYIWEGYSTWRRF-GOSISDBHSA-N 2 2 381.480 3.553 20 0 GHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(OCc3noc(C)n3)cc2)C1 ZINC000122940232 849033666 /nfs/dbraw/zinc/03/36/66/849033666.db2.gz KWYIWEGYSTWRRF-GOSISDBHSA-N 2 2 381.480 3.553 20 0 GHADLP Cc1cc(Br)cn2c(CN3CCCC[C@H]3[C@@H]3CCC[NH2+]3)c[nH+]c12 ZINC000583143929 849179322 /nfs/dbraw/zinc/17/93/22/849179322.db2.gz JUOBXSWSZHRJBV-IRXDYDNUSA-N 2 2 377.330 3.512 20 0 GHADLP CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000124893993 849405255 /nfs/dbraw/zinc/40/52/55/849405255.db2.gz FKVIFSZYQDKFCD-FGZHOGPDSA-N 2 2 386.584 3.614 20 0 GHADLP CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000124893993 849405261 /nfs/dbraw/zinc/40/52/61/849405261.db2.gz FKVIFSZYQDKFCD-FGZHOGPDSA-N 2 2 386.584 3.614 20 0 GHADLP CC(C)(CO)[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000583374212 849743196 /nfs/dbraw/zinc/74/31/96/849743196.db2.gz QDSNRMFLFJASLW-FPOVZHCZSA-N 2 2 388.577 3.688 20 0 GHADLP CC(C)(CO)[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000583374212 849743200 /nfs/dbraw/zinc/74/32/00/849743200.db2.gz QDSNRMFLFJASLW-FPOVZHCZSA-N 2 2 388.577 3.688 20 0 GHADLP C[NH+](C)CC1CC[NH+](Cc2ccc(I)cc2Cl)CC1 ZINC000503940671 849786257 /nfs/dbraw/zinc/78/62/57/849786257.db2.gz BLKVDUYNLZOUHJ-UHFFFAOYSA-N 2 2 392.712 3.718 20 0 GHADLP CCC([NH3+])(CC)C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000423288416 849840225 /nfs/dbraw/zinc/84/02/25/849840225.db2.gz SABISTSEWIZCIP-NRFANRHFSA-N 2 2 388.577 3.903 20 0 GHADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000423346635 849864557 /nfs/dbraw/zinc/86/45/57/849864557.db2.gz ZAUQPIDXTHYAJS-AMHTUMDSSA-N 2 2 395.547 3.710 20 0 GHADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425246638 849901098 /nfs/dbraw/zinc/90/10/98/849901098.db2.gz YGRHCFQMLVHRAC-WIYYLYMNSA-N 2 2 376.504 3.568 20 0 GHADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425246638 849901101 /nfs/dbraw/zinc/90/11/01/849901101.db2.gz YGRHCFQMLVHRAC-WIYYLYMNSA-N 2 2 376.504 3.568 20 0 GHADLP Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423529407 849957559 /nfs/dbraw/zinc/95/75/59/849957559.db2.gz VJBWXWPYHMBYAA-YPMHNXCESA-N 2 2 396.354 3.520 20 0 GHADLP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(C2CC2)[nH+]1 ZINC000522567654 862083464 /nfs/dbraw/zinc/08/34/64/862083464.db2.gz OBGACEXNUMGXTJ-QGZVFWFLSA-N 2 2 376.426 3.790 20 0 GHADLP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(C2CC2)[nH+]1 ZINC000522567654 862083478 /nfs/dbraw/zinc/08/34/78/862083478.db2.gz OBGACEXNUMGXTJ-QGZVFWFLSA-N 2 2 376.426 3.790 20 0 GHADLP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000297428808 850201723 /nfs/dbraw/zinc/20/17/23/850201723.db2.gz ZMLONQTWYSWAJS-MSYCTHLASA-N 2 2 398.595 3.521 20 0 GHADLP COc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000669714475 862103850 /nfs/dbraw/zinc/10/38/50/862103850.db2.gz IXCOFLQHPGPPEE-SFHVURJKSA-N 2 2 391.519 3.998 20 0 GHADLP COc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000669714475 862103856 /nfs/dbraw/zinc/10/38/56/862103856.db2.gz IXCOFLQHPGPPEE-SFHVURJKSA-N 2 2 391.519 3.998 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000518892043 850289568 /nfs/dbraw/zinc/28/95/68/850289568.db2.gz YNLBQZWRWWFLPI-RTWAWAEBSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000518892043 850289583 /nfs/dbraw/zinc/28/95/83/850289583.db2.gz YNLBQZWRWWFLPI-RTWAWAEBSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000518892042 850289922 /nfs/dbraw/zinc/28/99/22/850289922.db2.gz YNLBQZWRWWFLPI-NHCUHLMSSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000518892042 850289936 /nfs/dbraw/zinc/28/99/36/850289936.db2.gz YNLBQZWRWWFLPI-NHCUHLMSSA-N 2 2 385.939 3.724 20 0 GHADLP O[C@@H]1CC[N@@H+](C2CC[NH+](C/C=C/c3ccc(OCc4ccccc4)cc3)CC2)C1 ZINC000668740169 850474977 /nfs/dbraw/zinc/47/49/77/850474977.db2.gz QTZJCHIUZFAWDZ-PTGVWUEVSA-N 2 2 392.543 3.810 20 0 GHADLP O[C@@H]1CC[N@H+](C2CC[NH+](C/C=C/c3ccc(OCc4ccccc4)cc3)CC2)C1 ZINC000668740169 850474989 /nfs/dbraw/zinc/47/49/89/850474989.db2.gz QTZJCHIUZFAWDZ-PTGVWUEVSA-N 2 2 392.543 3.810 20 0 GHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c2C1 ZINC000170564860 850843734 /nfs/dbraw/zinc/84/37/34/850843734.db2.gz IOLLSHZIBUSXAQ-UHFFFAOYSA-N 2 2 394.563 3.652 20 0 GHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c2C1 ZINC000170564860 850843739 /nfs/dbraw/zinc/84/37/39/850843739.db2.gz IOLLSHZIBUSXAQ-UHFFFAOYSA-N 2 2 394.563 3.652 20 0 GHADLP Cc1ccc(C(F)(F)F)c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000667940889 862189007 /nfs/dbraw/zinc/18/90/07/862189007.db2.gz RENIAILZPABQRZ-UHFFFAOYSA-N 2 2 398.473 3.694 20 0 GHADLP CC[N@H+](C)[C@@H](C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccccc1 ZINC000515505828 851126159 /nfs/dbraw/zinc/12/61/59/851126159.db2.gz UBLRQPCTLQKWRA-HXUWFJFHSA-N 2 2 382.895 3.835 20 0 GHADLP CC[N@@H+](C)[C@@H](C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccccc1 ZINC000515505828 851126172 /nfs/dbraw/zinc/12/61/72/851126172.db2.gz UBLRQPCTLQKWRA-HXUWFJFHSA-N 2 2 382.895 3.835 20 0 GHADLP O=C(CC[N@@H+]1CCCCC[C@H]1c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000519506495 851161364 /nfs/dbraw/zinc/16/13/64/851161364.db2.gz QDFNSZOBRQFIKN-QFIPXVFZSA-N 2 2 392.547 3.738 20 0 GHADLP O=C(CC[N@H+]1CCCCC[C@H]1c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000519506495 851161369 /nfs/dbraw/zinc/16/13/69/851161369.db2.gz QDFNSZOBRQFIKN-QFIPXVFZSA-N 2 2 392.547 3.738 20 0 GHADLP CC(C)c1[nH+]ccn1CCC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425085705 851182776 /nfs/dbraw/zinc/18/27/76/851182776.db2.gz SPZZLIRWCSKBJZ-UHFFFAOYSA-N 2 2 375.542 3.648 20 0 GHADLP CC(C)c1[nH+]ccn1CCC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425085705 851182782 /nfs/dbraw/zinc/18/27/82/851182782.db2.gz SPZZLIRWCSKBJZ-UHFFFAOYSA-N 2 2 375.542 3.648 20 0 GHADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000514083685 851219659 /nfs/dbraw/zinc/21/96/59/851219659.db2.gz MGPZBRLEPVGVFD-KFYAJBONSA-N 2 2 382.552 3.643 20 0 GHADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000514083685 851219669 /nfs/dbraw/zinc/21/96/69/851219669.db2.gz MGPZBRLEPVGVFD-KFYAJBONSA-N 2 2 382.552 3.643 20 0 GHADLP Cc1ccn2c(C[NH+]3CCC4(C[C@@H]4[N@H+](C)Cc4nccs4)CC3)cnc2c1 ZINC000434537896 851233805 /nfs/dbraw/zinc/23/38/05/851233805.db2.gz NOCVLYZNTXGEFJ-SFHVURJKSA-N 2 2 381.549 3.586 20 0 GHADLP Cc1ccn2c(C[NH+]3CCC4(C[C@@H]4[N@@H+](C)Cc4nccs4)CC3)cnc2c1 ZINC000434537896 851233813 /nfs/dbraw/zinc/23/38/13/851233813.db2.gz NOCVLYZNTXGEFJ-SFHVURJKSA-N 2 2 381.549 3.586 20 0 GHADLP c1ccc([C@@H]2CC[C@H]([NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)cc1 ZINC000436286736 851408345 /nfs/dbraw/zinc/40/83/45/851408345.db2.gz SVPBREGAYFYYBP-PKTZIBPZSA-N 2 2 380.532 3.824 20 0 GHADLP O=C(c1ccccc1)N1CC[C@@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000514232466 851434956 /nfs/dbraw/zinc/43/49/56/851434956.db2.gz MCUOWYMQTYJXMM-NRFANRHFSA-N 2 2 380.536 3.538 20 0 GHADLP O=C1[C@@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCN1c1cccc(F)c1 ZINC000434686064 851476572 /nfs/dbraw/zinc/47/65/72/851476572.db2.gz RCKPXWRYRWKUQD-NRFANRHFSA-N 2 2 396.510 3.734 20 0 GHADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414884618 851609304 /nfs/dbraw/zinc/60/93/04/851609304.db2.gz FVJYAYJKIFPMQD-QGZVFWFLSA-N 2 2 377.330 3.585 20 0 GHADLP Brc1ccc2c(c1)OC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167975465 851796829 /nfs/dbraw/zinc/79/68/29/851796829.db2.gz PWQRVCSUXVJYHY-MMNRESRNSA-N 2 2 377.326 3.878 20 0 GHADLP Brc1ccc2c(c1)OC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167975465 851796835 /nfs/dbraw/zinc/79/68/35/851796835.db2.gz PWQRVCSUXVJYHY-MMNRESRNSA-N 2 2 377.326 3.878 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCc4ccccc43)CC2)cc1 ZINC000894729496 852049551 /nfs/dbraw/zinc/04/95/51/852049551.db2.gz QFYJIEAVGYLGIS-OAQYLSRUSA-N 2 2 377.532 3.929 20 0 GHADLP Clc1cc(Br)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000608057082 852066787 /nfs/dbraw/zinc/06/67/87/852066787.db2.gz FMMZARRPQKUCBU-INIZCTEOSA-N 2 2 387.749 3.836 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000438183461 852099132 /nfs/dbraw/zinc/09/91/32/852099132.db2.gz JMVJDXWYBCCSHH-UWJYYQICSA-N 2 2 382.504 3.625 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000438183461 852099136 /nfs/dbraw/zinc/09/91/36/852099136.db2.gz JMVJDXWYBCCSHH-UWJYYQICSA-N 2 2 382.504 3.625 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000517596185 852129669 /nfs/dbraw/zinc/12/96/69/852129669.db2.gz MIMBMXMFANLXTG-CRAIPNDOSA-N 2 2 378.442 3.538 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000517596185 852129672 /nfs/dbraw/zinc/12/96/72/852129672.db2.gz MIMBMXMFANLXTG-CRAIPNDOSA-N 2 2 378.442 3.538 20 0 GHADLP COc1cccc(OC)c1OC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000506922199 852339173 /nfs/dbraw/zinc/33/91/73/852339173.db2.gz HGMDFNKCSNKZIV-UHFFFAOYSA-N 2 2 393.487 3.933 20 0 GHADLP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426775966 852380086 /nfs/dbraw/zinc/38/00/86/852380086.db2.gz DFEYHDPEEJLQRD-ROUUACIJSA-N 2 2 397.563 3.870 20 0 GHADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000150802434 852407479 /nfs/dbraw/zinc/40/74/79/852407479.db2.gz XONQRGDTGVLQFG-IEBWSBKVSA-N 2 2 384.524 3.998 20 0 GHADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000150802434 852407489 /nfs/dbraw/zinc/40/74/89/852407489.db2.gz XONQRGDTGVLQFG-IEBWSBKVSA-N 2 2 384.524 3.998 20 0 GHADLP CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]CCCNc3cccc[nH+]3)c21 ZINC000150888137 852550136 /nfs/dbraw/zinc/55/01/36/852550136.db2.gz YACFPVOGWBYSPY-UHFFFAOYSA-N 2 2 382.508 3.971 20 0 GHADLP O=C(C[C@H]1CC[NH2+]C1)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000427308706 852967152 /nfs/dbraw/zinc/96/71/52/852967152.db2.gz MQZARXHOIDQGOF-WZONZLPQSA-N 2 2 397.950 3.573 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000438909417 853094423 /nfs/dbraw/zinc/09/44/23/853094423.db2.gz CXMHZNIVRGCHGB-UHFFFAOYSA-N 2 2 399.623 3.937 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@@H](c2ccc(OC)cc2Br)C(C)C)CC1 ZINC000516897067 853139861 /nfs/dbraw/zinc/13/98/61/853139861.db2.gz ZNGAGCRWPABUSA-LJQANCHMSA-N 2 2 399.373 3.855 20 0 GHADLP CC(C)[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccco1 ZINC000507695966 853188746 /nfs/dbraw/zinc/18/87/46/853188746.db2.gz YICQETWBIJHMSW-UHFFFAOYSA-N 2 2 387.549 3.678 20 0 GHADLP CC(C)[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccco1 ZINC000507695966 853188748 /nfs/dbraw/zinc/18/87/48/853188748.db2.gz YICQETWBIJHMSW-UHFFFAOYSA-N 2 2 387.549 3.678 20 0 GHADLP C[C@@H](c1nnc(SCC[NH+]2CCCC2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000732709759 862439559 /nfs/dbraw/zinc/43/95/59/862439559.db2.gz IFKKROBJDNMEGC-AWEZNQCLSA-N 2 2 379.961 3.731 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000439080441 853265246 /nfs/dbraw/zinc/26/52/46/853265246.db2.gz UWBLHSONTIGOLC-QGZVFWFLSA-N 2 2 381.520 3.969 20 0 GHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437644329 853356419 /nfs/dbraw/zinc/35/64/19/853356419.db2.gz FMYIDJWIWJHPDD-JOCHJYFZSA-N 2 2 395.551 3.528 20 0 GHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437644329 853356431 /nfs/dbraw/zinc/35/64/31/853356431.db2.gz FMYIDJWIWJHPDD-JOCHJYFZSA-N 2 2 395.551 3.528 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc(OC)c1O ZINC000519666966 853374599 /nfs/dbraw/zinc/37/45/99/853374599.db2.gz CUYFPFWHSCMIGD-LEWJYISDSA-N 2 2 396.531 3.896 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc(OC)c1O ZINC000519666966 853374604 /nfs/dbraw/zinc/37/46/04/853374604.db2.gz CUYFPFWHSCMIGD-LEWJYISDSA-N 2 2 396.531 3.896 20 0 GHADLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc(OC)c1O ZINC000519666966 853374607 /nfs/dbraw/zinc/37/46/07/853374607.db2.gz CUYFPFWHSCMIGD-LEWJYISDSA-N 2 2 396.531 3.896 20 0 GHADLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc(OC)c1O ZINC000519666966 853374609 /nfs/dbraw/zinc/37/46/09/853374609.db2.gz CUYFPFWHSCMIGD-LEWJYISDSA-N 2 2 396.531 3.896 20 0 GHADLP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000415909377 853621871 /nfs/dbraw/zinc/62/18/71/853621871.db2.gz FWISWZWFDNJSFT-NRFANRHFSA-N 2 2 377.492 3.782 20 0 GHADLP O=C1N(Cc2cccc(F)c2)CC[C@]12CCC[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168377423 853625443 /nfs/dbraw/zinc/62/54/43/853625443.db2.gz GYOFDYWMTRGUGV-DEOSSOPVSA-N 2 2 399.554 3.515 20 0 GHADLP O=C1N(Cc2cccc(F)c2)CC[C@]12CCC[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168377423 853625447 /nfs/dbraw/zinc/62/54/47/853625447.db2.gz GYOFDYWMTRGUGV-DEOSSOPVSA-N 2 2 399.554 3.515 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000164092549 853720265 /nfs/dbraw/zinc/72/02/65/853720265.db2.gz HULVCLBSCTYWDT-UHFFFAOYSA-N 2 2 390.572 3.614 20 0 GHADLP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000441027374 853847962 /nfs/dbraw/zinc/84/79/62/853847962.db2.gz YLWBDMJKJONZCH-UHFFFAOYSA-N 2 2 399.583 3.527 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000571342470 853848026 /nfs/dbraw/zinc/84/80/26/853848026.db2.gz AHQSVZHCLFAFKM-FQEVSTJZSA-N 2 2 395.551 3.601 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000571342470 853848028 /nfs/dbraw/zinc/84/80/28/853848028.db2.gz AHQSVZHCLFAFKM-FQEVSTJZSA-N 2 2 395.551 3.601 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000571342470 853848030 /nfs/dbraw/zinc/84/80/30/853848030.db2.gz AHQSVZHCLFAFKM-FQEVSTJZSA-N 2 2 395.551 3.601 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000571342470 853848033 /nfs/dbraw/zinc/84/80/33/853848033.db2.gz AHQSVZHCLFAFKM-FQEVSTJZSA-N 2 2 395.551 3.601 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](C4CC[NH+](CC5CC5)CC4)CC3)C2)cc1 ZINC001168378959 853922519 /nfs/dbraw/zinc/92/25/19/853922519.db2.gz AKCRUPRJFHVRDO-UHFFFAOYSA-N 3 2 397.607 3.536 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C4CC[NH+](CC5CC5)CC4)CC3)C2)cc1 ZINC001168378959 853922524 /nfs/dbraw/zinc/92/25/24/853922524.db2.gz AKCRUPRJFHVRDO-UHFFFAOYSA-N 3 2 397.607 3.536 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NCc2ccc(F)cc2)c(C)c1 ZINC000441372105 854156217 /nfs/dbraw/zinc/15/62/17/854156217.db2.gz BFOLAFMTVGBYEK-XMSQKQJNSA-N 2 2 394.494 3.675 20 0 GHADLP CC(C)C[C@@H]1CCCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466586018 862549029 /nfs/dbraw/zinc/54/90/29/862549029.db2.gz BSKWODKQTXSULG-FQEVSTJZSA-N 2 2 378.605 3.547 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000112921596 854361673 /nfs/dbraw/zinc/36/16/73/854361673.db2.gz QFMDQKKERZHNGM-UHFFFAOYSA-N 2 2 381.520 3.577 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000112921596 854361680 /nfs/dbraw/zinc/36/16/80/854361680.db2.gz QFMDQKKERZHNGM-UHFFFAOYSA-N 2 2 381.520 3.577 20 0 GHADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3csc(Br)c3)CC2)C[C@@H](C)O1 ZINC000588712113 854370570 /nfs/dbraw/zinc/37/05/70/854370570.db2.gz YUDZPOJBJUBUPE-ZIAGYGMSSA-N 2 2 387.387 3.832 20 0 GHADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000572474360 854514896 /nfs/dbraw/zinc/51/48/96/854514896.db2.gz KIJGTDMLONQDEL-SIKLNZKXSA-N 2 2 394.563 3.872 20 0 GHADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000572709780 854943858 /nfs/dbraw/zinc/94/38/58/854943858.db2.gz REWOADQUNPTFAR-HBFSDRIKSA-N 2 2 390.535 3.736 20 0 GHADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2)c1 ZINC000572709780 854943863 /nfs/dbraw/zinc/94/38/63/854943863.db2.gz REWOADQUNPTFAR-HBFSDRIKSA-N 2 2 390.535 3.736 20 0 GHADLP FC(F)(F)c1ccc(-n2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cn2)cc1 ZINC000572802016 854993112 /nfs/dbraw/zinc/99/31/12/854993112.db2.gz JTAMDJDNOFKUPH-HNNXBMFYSA-N 2 2 375.398 3.994 20 0 GHADLP FC(F)(F)c1ccc(-n2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cn2)cc1 ZINC000572802016 854993117 /nfs/dbraw/zinc/99/31/17/854993117.db2.gz JTAMDJDNOFKUPH-HNNXBMFYSA-N 2 2 375.398 3.994 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000190570735 855457840 /nfs/dbraw/zinc/45/78/40/855457840.db2.gz WKITXKNQFVXNRX-FPOVZHCZSA-N 2 2 397.567 3.530 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000190570735 855457843 /nfs/dbraw/zinc/45/78/43/855457843.db2.gz WKITXKNQFVXNRX-FPOVZHCZSA-N 2 2 397.567 3.530 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000190570716 855458162 /nfs/dbraw/zinc/45/81/62/855458162.db2.gz WKITXKNQFVXNRX-PZJWPPBQSA-N 2 2 397.567 3.530 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000190570716 855458164 /nfs/dbraw/zinc/45/81/64/855458164.db2.gz WKITXKNQFVXNRX-PZJWPPBQSA-N 2 2 397.567 3.530 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000590851686 855615585 /nfs/dbraw/zinc/61/55/85/855615585.db2.gz CDBCQBZNLPMIQP-DENIHFKCSA-N 2 2 395.551 3.662 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000590851686 855615592 /nfs/dbraw/zinc/61/55/92/855615592.db2.gz CDBCQBZNLPMIQP-DENIHFKCSA-N 2 2 395.551 3.662 20 0 GHADLP C[N@H+](Cc1cc(Cl)ccc1OC[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000573045766 855702771 /nfs/dbraw/zinc/70/27/71/855702771.db2.gz BPFBQXXBJHVDBM-JIRNRHONSA-N 2 2 378.944 3.955 20 0 GHADLP C[N@@H+](Cc1cc(Cl)ccc1OC[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000573045766 855702774 /nfs/dbraw/zinc/70/27/74/855702774.db2.gz BPFBQXXBJHVDBM-JIRNRHONSA-N 2 2 378.944 3.955 20 0 GHADLP C[NH+](Cc1cc(Cl)ccc1OC[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000573045766 855702779 /nfs/dbraw/zinc/70/27/79/855702779.db2.gz BPFBQXXBJHVDBM-JIRNRHONSA-N 2 2 378.944 3.955 20 0 GHADLP C[NH+](Cc1cc(Cl)ccc1OC[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000573045766 855702783 /nfs/dbraw/zinc/70/27/83/855702783.db2.gz BPFBQXXBJHVDBM-JIRNRHONSA-N 2 2 378.944 3.955 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000482121814 862732211 /nfs/dbraw/zinc/73/22/11/862732211.db2.gz LYUFFTGQUVOVSJ-VWPQPMDRSA-N 3 2 393.641 3.687 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000482121814 862732216 /nfs/dbraw/zinc/73/22/16/862732216.db2.gz LYUFFTGQUVOVSJ-VWPQPMDRSA-N 3 2 393.641 3.687 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000482121814 862732226 /nfs/dbraw/zinc/73/22/26/862732226.db2.gz LYUFFTGQUVOVSJ-VWPQPMDRSA-N 3 2 393.641 3.687 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000482121814 862732234 /nfs/dbraw/zinc/73/22/34/862732234.db2.gz LYUFFTGQUVOVSJ-VWPQPMDRSA-N 3 2 393.641 3.687 20 0 GHADLP CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000152394661 855892166 /nfs/dbraw/zinc/89/21/66/855892166.db2.gz BETXCECHGJKRNR-UHFFFAOYSA-N 2 2 384.351 3.558 20 0 GHADLP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000152394661 855892176 /nfs/dbraw/zinc/89/21/76/855892176.db2.gz BETXCECHGJKRNR-UHFFFAOYSA-N 2 2 384.351 3.558 20 0 GHADLP CC(C)[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000605083062 862769247 /nfs/dbraw/zinc/76/92/47/862769247.db2.gz NUJPGXLSIXSSIT-QHCPKHFHSA-N 2 2 388.515 3.685 20 0 GHADLP CC(C)[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)[N@H+]1CCc2ccccc2C1 ZINC000605083062 862769255 /nfs/dbraw/zinc/76/92/55/862769255.db2.gz NUJPGXLSIXSSIT-QHCPKHFHSA-N 2 2 388.515 3.685 20 0 GHADLP CN1C(=O)C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000507834203 856545011 /nfs/dbraw/zinc/54/50/11/856545011.db2.gz PUWDAWXMSCRGJE-TZIWHRDSSA-N 2 2 380.879 3.587 20 0 GHADLP Cc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000605165598 862818769 /nfs/dbraw/zinc/81/87/69/862818769.db2.gz LREJSXWWSNKLEF-MJGOQNOKSA-N 2 2 378.442 3.977 20 0 GHADLP Cc1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000605165598 862818783 /nfs/dbraw/zinc/81/87/83/862818783.db2.gz LREJSXWWSNKLEF-MJGOQNOKSA-N 2 2 378.442 3.977 20 0 GHADLP Cc1cccn2cc(COc3ccc(C[NH2+][C@H](C)Cn4cc[nH+]c4)cc3)nc12 ZINC000063313210 856932544 /nfs/dbraw/zinc/93/25/44/856932544.db2.gz LFUQARLIOKBFKU-GOSISDBHSA-N 2 2 375.476 3.597 20 0 GHADLP Brc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)cc1 ZINC000658293666 857255623 /nfs/dbraw/zinc/25/56/23/857255623.db2.gz IKTGWZLERRIQRR-RTBURBONSA-N 2 2 379.342 3.743 20 0 GHADLP Brc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)cc1 ZINC000658293664 857255911 /nfs/dbraw/zinc/25/59/11/857255911.db2.gz IKTGWZLERRIQRR-RBUKOAKNSA-N 2 2 379.342 3.743 20 0 GHADLP O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000766128076 857341865 /nfs/dbraw/zinc/34/18/65/857341865.db2.gz IMVGNHHTDQDWCT-SXSPYAJSSA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000766128076 857341877 /nfs/dbraw/zinc/34/18/77/857341877.db2.gz IMVGNHHTDQDWCT-SXSPYAJSSA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000766128076 857341886 /nfs/dbraw/zinc/34/18/86/857341886.db2.gz IMVGNHHTDQDWCT-SXSPYAJSSA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000766128076 857341901 /nfs/dbraw/zinc/34/19/01/857341901.db2.gz IMVGNHHTDQDWCT-SXSPYAJSSA-N 2 2 386.486 3.985 20 0 GHADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000113339448 857434799 /nfs/dbraw/zinc/43/47/99/857434799.db2.gz AMANDVWEWUUKPJ-CQSZACIVSA-N 2 2 398.498 3.554 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1C ZINC000060559151 857457358 /nfs/dbraw/zinc/45/73/58/857457358.db2.gz WKLUFNYJTKNLQY-QUCCMNQESA-N 2 2 396.535 3.684 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1C ZINC000060559151 857457361 /nfs/dbraw/zinc/45/73/61/857457361.db2.gz WKLUFNYJTKNLQY-QUCCMNQESA-N 2 2 396.535 3.684 20 0 GHADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000675495525 857471718 /nfs/dbraw/zinc/47/17/18/857471718.db2.gz RBTMVBBCNYSSCI-RBUKOAKNSA-N 2 2 380.374 3.612 20 0 GHADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000675495525 857471722 /nfs/dbraw/zinc/47/17/22/857471722.db2.gz RBTMVBBCNYSSCI-RBUKOAKNSA-N 2 2 380.374 3.612 20 0 GHADLP C[N@@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C[C@H]1CCC[NH+](C)C1 ZINC000428245342 857553578 /nfs/dbraw/zinc/55/35/78/857553578.db2.gz WRMNUARYOKXTQB-KRWDZBQOSA-N 2 2 380.458 3.724 20 0 GHADLP C[N@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C[C@H]1CCC[NH+](C)C1 ZINC000428245342 857553584 /nfs/dbraw/zinc/55/35/84/857553584.db2.gz WRMNUARYOKXTQB-KRWDZBQOSA-N 2 2 380.458 3.724 20 0 GHADLP C[NH+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000428245342 857553711 /nfs/dbraw/zinc/55/37/11/857553711.db2.gz WRMNUARYOKXTQB-KRWDZBQOSA-N 2 2 380.458 3.724 20 0 GHADLP C[NH+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000428245342 857553716 /nfs/dbraw/zinc/55/37/16/857553716.db2.gz WRMNUARYOKXTQB-KRWDZBQOSA-N 2 2 380.458 3.724 20 0 GHADLP O=C(c1ccc(NC2=[NH+]CCC2)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000907313956 857587194 /nfs/dbraw/zinc/58/71/94/857587194.db2.gz KBASBTJDXLNVMB-UHFFFAOYSA-N 2 2 379.508 3.820 20 0 GHADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cnn1-c1ccc(F)cc1 ZINC000675880877 857659195 /nfs/dbraw/zinc/65/91/95/857659195.db2.gz ICTISKYFSCJMDJ-KKSFZXQISA-N 2 2 386.515 3.614 20 0 GHADLP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000676130557 857745610 /nfs/dbraw/zinc/74/56/10/857745610.db2.gz YYSACJDUSQKXSN-LEWJYISDSA-N 2 2 399.458 3.514 20 0 GHADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1cc[nH+]c2c(Br)cccc12 ZINC000486469824 857764164 /nfs/dbraw/zinc/76/41/64/857764164.db2.gz ODNLSPAYTJZMBH-CQSZACIVSA-N 2 2 390.325 3.687 20 0 GHADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1cc[nH+]c2c(Br)cccc12 ZINC000486469824 857764168 /nfs/dbraw/zinc/76/41/68/857764168.db2.gz ODNLSPAYTJZMBH-CQSZACIVSA-N 2 2 390.325 3.687 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cn3ccsc3n2)CC1 ZINC000181643363 862953341 /nfs/dbraw/zinc/95/33/41/862953341.db2.gz NFKYLFJLWGGWNB-HNNXBMFYSA-N 2 2 387.528 3.528 20 0 GHADLP CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000065729636 857840672 /nfs/dbraw/zinc/84/06/72/857840672.db2.gz UWMKZZDVIBCTAX-UHFFFAOYSA-N 2 2 396.466 3.984 20 0 GHADLP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000132207148 857949779 /nfs/dbraw/zinc/94/97/79/857949779.db2.gz ISWGZNPENLBJPA-YADHBBJMSA-N 2 2 395.551 3.531 20 0 GHADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1 ZINC000594171229 857986479 /nfs/dbraw/zinc/98/64/79/857986479.db2.gz YOHINAZYLATJLU-UHFFFAOYSA-N 2 2 387.483 3.617 20 0 GHADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1 ZINC000594171229 857986486 /nfs/dbraw/zinc/98/64/86/857986486.db2.gz YOHINAZYLATJLU-UHFFFAOYSA-N 2 2 387.483 3.617 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000543060262 858135701 /nfs/dbraw/zinc/13/57/01/858135701.db2.gz DSLHCGZUWQRWNK-IBGZPJMESA-N 2 2 382.552 3.815 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1OCC(F)F ZINC000442871398 858188723 /nfs/dbraw/zinc/18/87/23/858188723.db2.gz WQFDUYBCNHGRRA-QFBILLFUSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1OCC(F)F ZINC000442871398 858188728 /nfs/dbraw/zinc/18/87/28/858188728.db2.gz WQFDUYBCNHGRRA-QFBILLFUSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cc(Cl)ccc3F)CC2)C[C@H](C)O1 ZINC000682532599 858337820 /nfs/dbraw/zinc/33/78/20/858337820.db2.gz RFIGAVLFFJUDSZ-IYBDPMFKSA-N 2 2 384.923 3.569 20 0 GHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cc(Cl)ccc3F)CC2)C[C@H](C)O1 ZINC000682532599 858337826 /nfs/dbraw/zinc/33/78/26/858337826.db2.gz RFIGAVLFFJUDSZ-IYBDPMFKSA-N 2 2 384.923 3.569 20 0 GHADLP CSC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000595102159 858405645 /nfs/dbraw/zinc/40/56/45/858405645.db2.gz KTYUJWMEUKVOFM-MSOLQXFVSA-N 2 2 388.499 3.952 20 0 GHADLP Cc1ccccc1[C@H]1CCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466159688 858526238 /nfs/dbraw/zinc/52/62/38/858526238.db2.gz VMVZSHQQGSBXSN-JOCHJYFZSA-N 2 2 398.595 3.792 20 0 GHADLP COc1ccc(Br)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000676712008 858773946 /nfs/dbraw/zinc/77/39/46/858773946.db2.gz ASXKFGXRYBVUIF-KDOFPFPSSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000676712008 858773951 /nfs/dbraw/zinc/77/39/51/858773951.db2.gz ASXKFGXRYBVUIF-KDOFPFPSSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676712008 858773957 /nfs/dbraw/zinc/77/39/57/858773957.db2.gz ASXKFGXRYBVUIF-KDOFPFPSSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000676712008 858773965 /nfs/dbraw/zinc/77/39/65/858773965.db2.gz ASXKFGXRYBVUIF-KDOFPFPSSA-N 2 2 379.342 3.906 20 0 GHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c1 ZINC000483178641 859193143 /nfs/dbraw/zinc/19/31/43/859193143.db2.gz HBDMYOYOQPNRBU-TZIWHRDSSA-N 2 2 399.579 3.555 20 0 GHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)c1 ZINC000483178641 859193150 /nfs/dbraw/zinc/19/31/50/859193150.db2.gz HBDMYOYOQPNRBU-TZIWHRDSSA-N 2 2 399.579 3.555 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429453072 859410653 /nfs/dbraw/zinc/41/06/53/859410653.db2.gz ZWWJMGIEYOGPJF-GBXCKJPGSA-N 2 2 382.548 3.897 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429453072 859410657 /nfs/dbraw/zinc/41/06/57/859410657.db2.gz ZWWJMGIEYOGPJF-GBXCKJPGSA-N 2 2 382.548 3.897 20 0 GHADLP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000466745405 859464607 /nfs/dbraw/zinc/46/46/07/859464607.db2.gz ILYBUFNCOJWHDE-SFHVURJKSA-N 2 2 386.540 3.544 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(F)c(F)c3F)C2)ccn1 ZINC000856558856 881426397 /nfs/dbraw/zinc/42/63/97/881426397.db2.gz MJSYQHIPMKVXBI-SFHVURJKSA-N 2 2 393.453 3.992 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(F)c(F)c3F)C2)ccn1 ZINC000856558856 881426433 /nfs/dbraw/zinc/42/64/33/881426433.db2.gz MJSYQHIPMKVXBI-SFHVURJKSA-N 2 2 393.453 3.992 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3F)C2)ccn1 ZINC000856558856 881426501 /nfs/dbraw/zinc/42/65/01/881426501.db2.gz MJSYQHIPMKVXBI-SFHVURJKSA-N 2 2 393.453 3.992 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3F)C2)ccn1 ZINC000856558856 881426542 /nfs/dbraw/zinc/42/65/42/881426542.db2.gz MJSYQHIPMKVXBI-SFHVURJKSA-N 2 2 393.453 3.992 20 0 GHADLP CCCCc1noc(C[N@H+](CCC)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)n1 ZINC000114197978 859493504 /nfs/dbraw/zinc/49/35/04/859493504.db2.gz CWBCQWNNGUZVMA-UHFFFAOYSA-N 2 2 386.544 3.700 20 0 GHADLP CCCCc1noc(C[N@@H+](CCC)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)n1 ZINC000114197978 859493511 /nfs/dbraw/zinc/49/35/11/859493511.db2.gz CWBCQWNNGUZVMA-UHFFFAOYSA-N 2 2 386.544 3.700 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000483697029 859548640 /nfs/dbraw/zinc/54/86/40/859548640.db2.gz IDINCPQFWWMULH-LJQANCHMSA-N 2 2 386.293 3.766 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000483713690 859568145 /nfs/dbraw/zinc/56/81/45/859568145.db2.gz NLTGPWPWLYXLTH-UHFFFAOYSA-N 2 2 379.479 3.889 20 0 GHADLP OC1CC[NH+](CCC[NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)CC1 ZINC000543411468 859631758 /nfs/dbraw/zinc/63/17/58/859631758.db2.gz VZMBANSKLGEUNI-DEOSSOPVSA-N 2 2 393.506 3.900 20 0 GHADLP OC1CC[NH+](CCC[NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)CC1 ZINC000543411472 859631805 /nfs/dbraw/zinc/63/18/05/859631805.db2.gz VZMBANSKLGEUNI-XMMPIXPASA-N 2 2 393.506 3.900 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H](c3ccc(F)cc3)c3cccnc3)[nH+]c2)C1 ZINC000543427084 859681370 /nfs/dbraw/zinc/68/13/70/859681370.db2.gz RWYZUCDTYGUQBB-GMAHTHKFSA-N 2 2 391.494 3.958 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3nc4c5c3cccc5C(=O)c3ccccc3-4)CC[C@H]21 ZINC000765104024 859788989 /nfs/dbraw/zinc/78/89/89/859788989.db2.gz DZHZOVSAINESKG-OXQOHEQNSA-N 2 2 386.499 3.621 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3nc4c5c3cccc5C(=O)c3ccccc3-4)CC[C@H]21 ZINC000765104024 859788996 /nfs/dbraw/zinc/78/89/96/859788996.db2.gz DZHZOVSAINESKG-OXQOHEQNSA-N 2 2 386.499 3.621 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3nc4c5c3cccc5C(=O)c3ccccc3-4)CC[C@H]21 ZINC000765104024 859789000 /nfs/dbraw/zinc/78/90/00/859789000.db2.gz DZHZOVSAINESKG-OXQOHEQNSA-N 2 2 386.499 3.621 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3nc4c5c3cccc5C(=O)c3ccccc3-4)CC[C@H]21 ZINC000765104024 859789006 /nfs/dbraw/zinc/78/90/06/859789006.db2.gz DZHZOVSAINESKG-OXQOHEQNSA-N 2 2 386.499 3.621 20 0 GHADLP COc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1SC ZINC000484126745 859817727 /nfs/dbraw/zinc/81/77/27/859817727.db2.gz JEQAXZWAYRHQIR-JTSKRJEESA-N 2 2 386.561 3.705 20 0 GHADLP COc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1SC ZINC000484126745 859817730 /nfs/dbraw/zinc/81/77/30/859817730.db2.gz JEQAXZWAYRHQIR-JTSKRJEESA-N 2 2 386.561 3.705 20 0 GHADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1OC ZINC000484135798 859844829 /nfs/dbraw/zinc/84/48/29/859844829.db2.gz RZANVZLVLKUSIV-DWLFOUALSA-N 2 2 398.547 3.546 20 0 GHADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1OC ZINC000484135798 859844839 /nfs/dbraw/zinc/84/48/39/859844839.db2.gz RZANVZLVLKUSIV-DWLFOUALSA-N 2 2 398.547 3.546 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)[NH+]2CCCC2)o1 ZINC000474317687 859844788 /nfs/dbraw/zinc/84/47/88/859844788.db2.gz XVNPABIKLPBHKC-NHCUHLMSSA-N 2 2 399.510 3.645 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)[NH+]2CCCC2)o1 ZINC000474317687 859844799 /nfs/dbraw/zinc/84/47/99/859844799.db2.gz XVNPABIKLPBHKC-NHCUHLMSSA-N 2 2 399.510 3.645 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OC(F)F)cc1 ZINC000484158027 859852886 /nfs/dbraw/zinc/85/28/86/859852886.db2.gz JUWVJJGQZXPEHH-NBHGPNQESA-N 2 2 390.474 3.822 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OC(F)F)cc1 ZINC000484158027 859852898 /nfs/dbraw/zinc/85/28/98/859852898.db2.gz JUWVJJGQZXPEHH-NBHGPNQESA-N 2 2 390.474 3.822 20 0 GHADLP Brc1cscc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000510201711 859855147 /nfs/dbraw/zinc/85/51/47/859855147.db2.gz WAMZCDCDTHGODF-UHFFFAOYSA-N 2 2 381.339 3.633 20 0 GHADLP COc1ccc2nc(C[NH2+]Cc3cccc(C[N@@H+]4CCO[C@H](C)C4)c3)sc2c1 ZINC000474345882 859892020 /nfs/dbraw/zinc/89/20/20/859892020.db2.gz IAKGIURRBVCICG-MRXNPFEDSA-N 2 2 397.544 3.815 20 0 GHADLP COc1ccc2nc(C[NH2+]Cc3cccc(C[N@H+]4CCO[C@H](C)C4)c3)sc2c1 ZINC000474345882 859892024 /nfs/dbraw/zinc/89/20/24/859892024.db2.gz IAKGIURRBVCICG-MRXNPFEDSA-N 2 2 397.544 3.815 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765306879 859903977 /nfs/dbraw/zinc/90/39/77/859903977.db2.gz LSICBKITWYVQTL-AWEZNQCLSA-N 2 2 391.443 3.719 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)c1 ZINC000895765336 859918154 /nfs/dbraw/zinc/91/81/54/859918154.db2.gz MTXUGLCQDWCECL-HXUWFJFHSA-N 2 2 392.507 3.797 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)c1 ZINC000895765336 859918160 /nfs/dbraw/zinc/91/81/60/859918160.db2.gz MTXUGLCQDWCECL-HXUWFJFHSA-N 2 2 392.507 3.797 20 0 GHADLP COc1ccc2c(c1)[nH+]ccc2N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000765520035 860054439 /nfs/dbraw/zinc/05/44/39/860054439.db2.gz OOOHHHIFEFRGKE-UHFFFAOYSA-N 3 2 396.579 3.876 20 0 GHADLP CCO[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C12CCC2 ZINC001170385892 881501398 /nfs/dbraw/zinc/50/13/98/881501398.db2.gz KHFNOVPFKOHKTE-RTWAWAEBSA-N 2 2 391.987 3.789 20 0 GHADLP CC[N@H+](CCS(=O)(=O)c1ccc(Cl)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000727759457 860217837 /nfs/dbraw/zinc/21/78/37/860217837.db2.gz WDJYGBJZKPTMDK-UHFFFAOYSA-N 2 2 394.968 3.697 20 0 GHADLP CC[N@@H+](CCS(=O)(=O)c1ccc(Cl)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000727759457 860217843 /nfs/dbraw/zinc/21/78/43/860217843.db2.gz WDJYGBJZKPTMDK-UHFFFAOYSA-N 2 2 394.968 3.697 20 0 GHADLP CN(C(=O)c1cc2c(o1)CCCC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001127906928 860244953 /nfs/dbraw/zinc/24/49/53/860244953.db2.gz WQNCNYSPWDVNHS-WOJBJXKFSA-N 2 2 387.568 3.568 20 0 GHADLP CN(C(=O)c1cc2c(o1)CCCC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001127906928 860244965 /nfs/dbraw/zinc/24/49/65/860244965.db2.gz WQNCNYSPWDVNHS-WOJBJXKFSA-N 2 2 387.568 3.568 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@H](C)[C@H]3CCC[NH3+])n2)C1 ZINC000904281504 860310009 /nfs/dbraw/zinc/31/00/09/860310009.db2.gz JAFAGDIANDPSEQ-JFIYKMOQSA-N 2 2 393.601 3.746 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@H](C)[C@H]3CCC[NH3+])n2)C1 ZINC000904281504 860310021 /nfs/dbraw/zinc/31/00/21/860310021.db2.gz JAFAGDIANDPSEQ-JFIYKMOQSA-N 2 2 393.601 3.746 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000191832263 860359552 /nfs/dbraw/zinc/35/95/52/860359552.db2.gz PJUJOFDKPFPHHS-RDPSFJRHSA-N 2 2 398.547 3.654 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000191832263 860359561 /nfs/dbraw/zinc/35/95/61/860359561.db2.gz PJUJOFDKPFPHHS-RDPSFJRHSA-N 2 2 398.547 3.654 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000508993031 860470511 /nfs/dbraw/zinc/47/05/11/860470511.db2.gz XRDFQNGFGAUUGI-OAQYLSRUSA-N 2 2 389.547 3.735 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C(C)(C)[NH3+])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000904597894 860526670 /nfs/dbraw/zinc/52/66/70/860526670.db2.gz UYTTUNBTSAZPKK-RBUKOAKNSA-N 2 2 388.462 3.726 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C(C)(C)[NH3+])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000904597894 860526676 /nfs/dbraw/zinc/52/66/76/860526676.db2.gz UYTTUNBTSAZPKK-RBUKOAKNSA-N 2 2 388.462 3.726 20 0 GHADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000532230664 881556165 /nfs/dbraw/zinc/55/61/65/881556165.db2.gz JDSYFTBUXCMATJ-IAGOWNOFSA-N 2 2 377.960 3.797 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000598967667 860695785 /nfs/dbraw/zinc/69/57/85/860695785.db2.gz MEEXDRIECYDUQG-ZWKOTPCHSA-N 2 2 394.581 3.561 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)c1C ZINC000598981547 860713187 /nfs/dbraw/zinc/71/31/87/860713187.db2.gz YUHLLBCDEUPGGZ-UHFFFAOYSA-N 2 2 386.883 3.937 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncc(C(C)(C)C)o3)C2)ccn1 ZINC000856599152 881571981 /nfs/dbraw/zinc/57/19/81/881571981.db2.gz MYKZEQQIXBQQHX-IBGZPJMESA-N 2 2 386.540 3.861 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncc(C(C)(C)C)o3)C2)ccn1 ZINC000856599152 881571989 /nfs/dbraw/zinc/57/19/89/881571989.db2.gz MYKZEQQIXBQQHX-IBGZPJMESA-N 2 2 386.540 3.861 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ncc(C(C)(C)C)o3)C2)ccn1 ZINC000856599152 881571997 /nfs/dbraw/zinc/57/19/97/881571997.db2.gz MYKZEQQIXBQQHX-IBGZPJMESA-N 2 2 386.540 3.861 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ncc(C(C)(C)C)o3)C2)ccn1 ZINC000856599152 881572006 /nfs/dbraw/zinc/57/20/06/881572006.db2.gz MYKZEQQIXBQQHX-IBGZPJMESA-N 2 2 386.540 3.861 20 0 GHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)cc1OC ZINC000474797851 860785694 /nfs/dbraw/zinc/78/56/94/860785694.db2.gz VOCGVCDMPPYADZ-IAGOWNOFSA-N 2 2 378.557 3.675 20 0 GHADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429045421 860801935 /nfs/dbraw/zinc/80/19/35/860801935.db2.gz VWPVZYBQQAIOLN-QPPBQGQZSA-N 2 2 383.580 3.675 20 0 GHADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429045421 860801940 /nfs/dbraw/zinc/80/19/40/860801940.db2.gz VWPVZYBQQAIOLN-QPPBQGQZSA-N 2 2 383.580 3.675 20 0 GHADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429045421 860801947 /nfs/dbraw/zinc/80/19/47/860801947.db2.gz VWPVZYBQQAIOLN-QPPBQGQZSA-N 2 2 383.580 3.675 20 0 GHADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429045421 860801951 /nfs/dbraw/zinc/80/19/51/860801951.db2.gz VWPVZYBQQAIOLN-QPPBQGQZSA-N 2 2 383.580 3.675 20 0 GHADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000555430409 860876994 /nfs/dbraw/zinc/87/69/94/860876994.db2.gz ZAQVFZOYBSMJJS-NYVOZVTQSA-N 2 2 392.632 3.934 20 0 GHADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000555430409 860877001 /nfs/dbraw/zinc/87/70/01/860877001.db2.gz ZAQVFZOYBSMJJS-NYVOZVTQSA-N 2 2 392.632 3.934 20 0 GHADLP C[C@H]1C[C@@H](N(C)C(=O)NCCCNc2cccc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000156639227 860894869 /nfs/dbraw/zinc/89/48/69/860894869.db2.gz IHDXCQHNTNVOFM-FPOVZHCZSA-N 2 2 395.551 3.578 20 0 GHADLP C[C@H]1C[C@@H](N(C)C(=O)NCCCNc2cccc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000156639227 860894889 /nfs/dbraw/zinc/89/48/89/860894889.db2.gz IHDXCQHNTNVOFM-FPOVZHCZSA-N 2 2 395.551 3.578 20 0 GHADLP C[C@@H](C[NH2+]Cc1ccc(Br)c(Br)c1)Cn1cc[nH+]c1 ZINC000176593767 860976772 /nfs/dbraw/zinc/97/67/72/860976772.db2.gz PXIWZANGSKAWSD-NSHDSACASA-N 2 2 387.119 3.834 20 0 GHADLP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000120492525 881604247 /nfs/dbraw/zinc/60/42/47/881604247.db2.gz CJJQNGKPZQYTAD-NHCUHLMSSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000120492525 881604255 /nfs/dbraw/zinc/60/42/55/881604255.db2.gz CJJQNGKPZQYTAD-NHCUHLMSSA-N 2 2 390.547 3.935 20 0 GHADLP Brc1cccc2c1C[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000555523897 861153579 /nfs/dbraw/zinc/15/35/79/861153579.db2.gz JTOCOUOMGUHYCX-KRWDZBQOSA-N 2 2 386.337 3.960 20 0 GHADLP CC[NH+](CC)CCCC1CC[NH+](Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000182731612 863340784 /nfs/dbraw/zinc/34/07/84/863340784.db2.gz JGTDDNVWDAGHHM-UHFFFAOYSA-N 2 2 390.597 3.935 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C(=O)N1c1ccccc1 ZINC000499228362 881656923 /nfs/dbraw/zinc/65/69/23/881656923.db2.gz LLYRXRWSYYROBC-IRFVPCFSSA-N 2 2 389.543 3.966 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C(=O)N1c1ccccc1 ZINC000499228362 881656927 /nfs/dbraw/zinc/65/69/27/881656927.db2.gz LLYRXRWSYYROBC-IRFVPCFSSA-N 2 2 389.543 3.966 20 0 GHADLP F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494404773 881678750 /nfs/dbraw/zinc/67/87/50/881678750.db2.gz LDVMJERLQAWCHO-DOMZBBRYSA-N 2 2 393.331 3.860 20 0 GHADLP Cc1cn2cc(NC(=O)NCC3([N@@H+]4CCOC(C)(C)C4)CCCCC3)ccc2[nH+]1 ZINC000606570404 863713229 /nfs/dbraw/zinc/71/32/29/863713229.db2.gz QSRRYRJSCNOIOH-UHFFFAOYSA-N 2 2 399.539 3.578 20 0 GHADLP Cc1cn2cc(NC(=O)NCC3([N@H+]4CCOC(C)(C)C4)CCCCC3)ccc2[nH+]1 ZINC000606570404 863713233 /nfs/dbraw/zinc/71/32/33/863713233.db2.gz QSRRYRJSCNOIOH-UHFFFAOYSA-N 2 2 399.539 3.578 20 0 GHADLP CC1CC[NH+]([C@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)c2ccccc2)CC1 ZINC000606582264 863730248 /nfs/dbraw/zinc/73/02/48/863730248.db2.gz ITMGQNIDHUWNQB-HXUWFJFHSA-N 2 2 377.492 3.929 20 0 GHADLP CCC[N@H+](C)[C@H](CNC(=O)N(C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000554250104 863999555 /nfs/dbraw/zinc/99/95/55/863999555.db2.gz PJFBUSNBUJBXNQ-LJQANCHMSA-N 2 2 391.947 3.651 20 0 GHADLP CCC[N@@H+](C)[C@H](CNC(=O)N(C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000554250104 863999566 /nfs/dbraw/zinc/99/95/66/863999566.db2.gz PJFBUSNBUJBXNQ-LJQANCHMSA-N 2 2 391.947 3.651 20 0 GHADLP CCCCC[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000734273889 864111240 /nfs/dbraw/zinc/11/12/40/864111240.db2.gz DAVPUNHWZXEXJC-UNMCSNQZSA-N 2 2 386.584 3.776 20 0 GHADLP CCCCC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000734273889 864111243 /nfs/dbraw/zinc/11/12/43/864111243.db2.gz DAVPUNHWZXEXJC-UNMCSNQZSA-N 2 2 386.584 3.776 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C3(c4ccccc4)CC[NH2+]CC3)n2)C1 ZINC000621525927 864226514 /nfs/dbraw/zinc/22/65/14/864226514.db2.gz VCOYPPMXNQLPSA-QGZVFWFLSA-N 2 2 398.576 3.635 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C3(c4ccccc4)CC[NH2+]CC3)n2)C1 ZINC000621525927 864226528 /nfs/dbraw/zinc/22/65/28/864226528.db2.gz VCOYPPMXNQLPSA-QGZVFWFLSA-N 2 2 398.576 3.635 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000734510626 864268667 /nfs/dbraw/zinc/26/86/67/864268667.db2.gz XZFVQCPJTVURIQ-KSSFIOAISA-N 2 2 387.337 3.815 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000734510626 864268680 /nfs/dbraw/zinc/26/86/80/864268680.db2.gz XZFVQCPJTVURIQ-KSSFIOAISA-N 2 2 387.337 3.815 20 0 GHADLP Cc1nc2c(s1)[C@@H]([NH2+]CCC[NH+]1CCN(c3cccc(C)c3)CC1)CCC2 ZINC000480243859 864309474 /nfs/dbraw/zinc/30/94/74/864309474.db2.gz FRNPSSOPMCLCEU-FQEVSTJZSA-N 2 2 384.593 3.939 20 0 GHADLP CC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)N1CCc2ccccc2C1 ZINC000480261041 864342012 /nfs/dbraw/zinc/34/20/12/864342012.db2.gz VSLHWEUGALTVTJ-ZPZUNKDASA-N 2 2 392.591 3.719 20 0 GHADLP CC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)N1CCc2ccccc2C1 ZINC000480261041 864342021 /nfs/dbraw/zinc/34/20/21/864342021.db2.gz VSLHWEUGALTVTJ-ZPZUNKDASA-N 2 2 392.591 3.719 20 0 GHADLP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000621641162 864345472 /nfs/dbraw/zinc/34/54/72/864345472.db2.gz BMEHGPHLHNURDX-MAUKXSAKSA-N 2 2 381.923 3.512 20 0 GHADLP C[C@@]1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000163488563 864523211 /nfs/dbraw/zinc/52/32/11/864523211.db2.gz NJGZMHNZWVIGOF-DEOSSOPVSA-N 2 2 388.515 3.716 20 0 GHADLP C[C@@]1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000163488563 864523221 /nfs/dbraw/zinc/52/32/21/864523221.db2.gz NJGZMHNZWVIGOF-DEOSSOPVSA-N 2 2 388.515 3.716 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163838813 864569956 /nfs/dbraw/zinc/56/99/56/864569956.db2.gz ALWMXTLMSFQZGX-AWEZNQCLSA-N 2 2 376.888 3.553 20 0 GHADLP c1coc([C@H]2COCC[NH+]2CCCCCC[N@@H+]2CCOC[C@@H]2c2ccco2)c1 ZINC000735078403 864610011 /nfs/dbraw/zinc/61/00/11/864610011.db2.gz LUAHBKLDHNAXOJ-WOJBJXKFSA-N 2 2 388.508 3.880 20 0 GHADLP c1coc([C@H]2COCC[NH+]2CCCCCC[N@H+]2CCOC[C@@H]2c2ccco2)c1 ZINC000735078403 864610016 /nfs/dbraw/zinc/61/00/16/864610016.db2.gz LUAHBKLDHNAXOJ-WOJBJXKFSA-N 2 2 388.508 3.880 20 0 GHADLP CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[NH+](C)C)cc1 ZINC000554652545 864678532 /nfs/dbraw/zinc/67/85/32/864678532.db2.gz HLLHVNRZULRHMC-JOCHJYFZSA-N 2 2 392.503 3.692 20 0 GHADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000554714477 864764433 /nfs/dbraw/zinc/76/44/33/864764433.db2.gz YLVSPUJLDRNZKI-ZDUSSCGKSA-N 2 2 380.305 3.884 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1C ZINC000058958814 881826355 /nfs/dbraw/zinc/82/63/55/881826355.db2.gz JIOPKTPVAOTZRR-IBGZPJMESA-N 2 2 399.510 3.717 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1C ZINC000058958814 881826373 /nfs/dbraw/zinc/82/63/73/881826373.db2.gz JIOPKTPVAOTZRR-IBGZPJMESA-N 2 2 399.510 3.717 20 0 GHADLP c1c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)[nH]nc1-c1cccnc1 ZINC000537631837 881856882 /nfs/dbraw/zinc/85/68/82/881856882.db2.gz YWXPFJXHYXZIKT-DEOSSOPVSA-N 2 2 387.531 3.960 20 0 GHADLP c1c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)[nH]nc1-c1cccnc1 ZINC000537631837 881856900 /nfs/dbraw/zinc/85/69/00/881856900.db2.gz YWXPFJXHYXZIKT-DEOSSOPVSA-N 2 2 387.531 3.960 20 0 GHADLP c1c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)[nH]nc1-c1cccnc1 ZINC000537631837 881856909 /nfs/dbraw/zinc/85/69/09/881856909.db2.gz YWXPFJXHYXZIKT-DEOSSOPVSA-N 2 2 387.531 3.960 20 0 GHADLP c1c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)[nH]nc1-c1cccnc1 ZINC000537631837 881856928 /nfs/dbraw/zinc/85/69/28/881856928.db2.gz YWXPFJXHYXZIKT-DEOSSOPVSA-N 2 2 387.531 3.960 20 0 GHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000301869111 865578317 /nfs/dbraw/zinc/57/83/17/865578317.db2.gz GUFKCSZYGHSJLD-HNNXBMFYSA-N 2 2 384.553 3.967 20 0 GHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000301869111 865578327 /nfs/dbraw/zinc/57/83/27/865578327.db2.gz GUFKCSZYGHSJLD-HNNXBMFYSA-N 2 2 384.553 3.967 20 0 GHADLP c1c2c(sc1-c1nnc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)o1)CCCC2 ZINC000121051446 881886869 /nfs/dbraw/zinc/88/68/69/881886869.db2.gz DLLWUAMDIPAFJV-UHFFFAOYSA-N 2 2 386.565 3.985 20 0 GHADLP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000608746892 865632769 /nfs/dbraw/zinc/63/27/69/865632769.db2.gz SUGYGQQKSXFUES-UHFFFAOYSA-N 2 2 387.337 3.911 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCCO[C@@H](c4ccccc4)C3)C2)cc1 ZINC000671240614 865716342 /nfs/dbraw/zinc/71/63/42/865716342.db2.gz DILAOANTHLJCON-DNQXCXABSA-N 2 2 380.532 3.741 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCCO[C@@H](c4ccccc4)C3)C2)cc1 ZINC000671240614 865716347 /nfs/dbraw/zinc/71/63/47/865716347.db2.gz DILAOANTHLJCON-DNQXCXABSA-N 2 2 380.532 3.741 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CCCO[C@@H](c4ccccc4)C3)C2)cc1 ZINC000671240614 865716351 /nfs/dbraw/zinc/71/63/51/865716351.db2.gz DILAOANTHLJCON-DNQXCXABSA-N 2 2 380.532 3.741 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CCCO[C@@H](c4ccccc4)C3)C2)cc1 ZINC000671240614 865716356 /nfs/dbraw/zinc/71/63/56/865716356.db2.gz DILAOANTHLJCON-DNQXCXABSA-N 2 2 380.532 3.741 20 0 GHADLP Cc1nc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)sc1C ZINC000481166325 865906868 /nfs/dbraw/zinc/90/68/68/865906868.db2.gz KENOTLIEOLVYLF-QOKNQOGYSA-N 2 2 386.565 3.587 20 0 GHADLP Cc1nc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)sc1C ZINC000481166325 865906874 /nfs/dbraw/zinc/90/68/74/865906874.db2.gz KENOTLIEOLVYLF-QOKNQOGYSA-N 2 2 386.565 3.587 20 0 GHADLP CCc1oc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1C(=O)OC ZINC000555335972 865956979 /nfs/dbraw/zinc/95/69/79/865956979.db2.gz HOVNMYAFCMRDQP-UHFFFAOYSA-N 2 2 385.508 3.762 20 0 GHADLP CCc1oc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1C(=O)OC ZINC000555335972 865956990 /nfs/dbraw/zinc/95/69/90/865956990.db2.gz HOVNMYAFCMRDQP-UHFFFAOYSA-N 2 2 385.508 3.762 20 0 GHADLP CC(C)N(C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000481189954 865973328 /nfs/dbraw/zinc/97/33/28/865973328.db2.gz KQRPHHKCSHXGRJ-OFNKIYASSA-N 2 2 379.548 3.928 20 0 GHADLP CC(C)N(C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000481189954 865973335 /nfs/dbraw/zinc/97/33/35/865973335.db2.gz KQRPHHKCSHXGRJ-OFNKIYASSA-N 2 2 379.548 3.928 20 0 GHADLP O=C(C[NH+]1CCC(C(F)F)CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534136361 866191733 /nfs/dbraw/zinc/19/17/33/866191733.db2.gz IOSPOQRBOFVCDQ-SFHVURJKSA-N 2 2 399.913 3.570 20 0 GHADLP C[C@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000456319866 866430498 /nfs/dbraw/zinc/43/04/98/866430498.db2.gz BRCPYJNHVLMABH-HXUWFJFHSA-N 2 2 388.515 3.526 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000552902408 866465453 /nfs/dbraw/zinc/46/54/53/866465453.db2.gz BANQWTNLSOEXJC-NFBKMPQASA-N 2 2 379.548 3.678 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000552902408 866465460 /nfs/dbraw/zinc/46/54/60/866465460.db2.gz BANQWTNLSOEXJC-NFBKMPQASA-N 2 2 379.548 3.678 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CC[NH+](Cc4ccccc4)C3)n2)C1 ZINC000552906332 866472418 /nfs/dbraw/zinc/47/24/18/866472418.db2.gz YMNFEZQJGVFUPI-PKOBYXMFSA-N 2 2 398.576 3.836 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CC[NH+](Cc4ccccc4)C3)n2)C1 ZINC000552906332 866472422 /nfs/dbraw/zinc/47/24/22/866472422.db2.gz YMNFEZQJGVFUPI-PKOBYXMFSA-N 2 2 398.576 3.836 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2)C1 ZINC000552906332 866472426 /nfs/dbraw/zinc/47/24/26/866472426.db2.gz YMNFEZQJGVFUPI-PKOBYXMFSA-N 2 2 398.576 3.836 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2)C1 ZINC000552906332 866472429 /nfs/dbraw/zinc/47/24/29/866472429.db2.gz YMNFEZQJGVFUPI-PKOBYXMFSA-N 2 2 398.576 3.836 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000793206273 882032823 /nfs/dbraw/zinc/03/28/23/882032823.db2.gz DMYOODQKFOISQX-KRWDZBQOSA-N 2 2 383.927 3.542 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000793206273 882032844 /nfs/dbraw/zinc/03/28/44/882032844.db2.gz DMYOODQKFOISQX-KRWDZBQOSA-N 2 2 383.927 3.542 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153767063 867067522 /nfs/dbraw/zinc/06/75/22/867067522.db2.gz VIERSAWIKPINAB-GDBMZVCRSA-N 2 2 379.932 3.672 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153767063 867067534 /nfs/dbraw/zinc/06/75/34/867067534.db2.gz VIERSAWIKPINAB-GDBMZVCRSA-N 2 2 379.932 3.672 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000444803265 867233007 /nfs/dbraw/zinc/23/30/07/867233007.db2.gz PDNUODNLJHDAOZ-JOCHJYFZSA-N 2 2 379.504 3.831 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000444803265 867233017 /nfs/dbraw/zinc/23/30/17/867233017.db2.gz PDNUODNLJHDAOZ-JOCHJYFZSA-N 2 2 379.504 3.831 20 0 GHADLP O=C(NC1CC1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000620753032 867259831 /nfs/dbraw/zinc/25/98/31/867259831.db2.gz VOBGBQVEBBWAFB-NZQKXSOJSA-N 2 2 377.532 3.508 20 0 GHADLP O=C(NC1CC1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000620753032 867259843 /nfs/dbraw/zinc/25/98/43/867259843.db2.gz VOBGBQVEBBWAFB-NZQKXSOJSA-N 2 2 377.532 3.508 20 0 GHADLP CCOc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1OC ZINC000742378328 867272759 /nfs/dbraw/zinc/27/27/59/867272759.db2.gz SAVODUJJUFCMIQ-UHFFFAOYSA-N 2 2 383.536 3.919 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC000743055818 867790767 /nfs/dbraw/zinc/79/07/67/867790767.db2.gz UQNMLVIOJINPOQ-JOCHJYFZSA-N 2 2 378.564 3.586 20 0 GHADLP CC(C)[C@@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCCCC1 ZINC000523797401 868002875 /nfs/dbraw/zinc/00/28/75/868002875.db2.gz ZEHMIXVTBRJAGI-OAQYLSRUSA-N 2 2 383.540 3.572 20 0 GHADLP C[C@@H]1CC[N@@H+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000535051556 868040009 /nfs/dbraw/zinc/04/00/09/868040009.db2.gz INDSYBAUKONZGX-PTUXOGIPSA-N 2 2 388.515 3.824 20 0 GHADLP C[C@@H]1CC[N@H+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000535051556 868040026 /nfs/dbraw/zinc/04/00/26/868040026.db2.gz INDSYBAUKONZGX-PTUXOGIPSA-N 2 2 388.515 3.824 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000743402411 868166628 /nfs/dbraw/zinc/16/66/28/868166628.db2.gz IEYYKSDZIWIJHY-CVDCTZTESA-N 2 2 392.547 3.797 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000743402411 868166635 /nfs/dbraw/zinc/16/66/35/868166635.db2.gz IEYYKSDZIWIJHY-CVDCTZTESA-N 2 2 392.547 3.797 20 0 GHADLP COC[C@H](C)Oc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000667563407 868579761 /nfs/dbraw/zinc/57/97/61/868579761.db2.gz BXDZCIONDJSYCP-FQEVSTJZSA-N 2 2 397.563 3.634 20 0 GHADLP COC[C@H](C)Oc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000667563407 868579766 /nfs/dbraw/zinc/57/97/66/868579766.db2.gz BXDZCIONDJSYCP-FQEVSTJZSA-N 2 2 397.563 3.634 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2noc3c2CCCC3)CC1 ZINC000181636692 868951628 /nfs/dbraw/zinc/95/16/28/868951628.db2.gz BMPVLOYGLVXBFE-INIZCTEOSA-N 2 2 386.515 3.685 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(OC(F)F)c(Br)c3)CC[C@H]21 ZINC000539404289 869063324 /nfs/dbraw/zinc/06/33/24/869063324.db2.gz FZKSBCDKQHJILA-DZGCQCFKSA-N 2 2 389.284 3.967 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(OC(F)F)c(Br)c3)CC[C@H]21 ZINC000539404289 869063335 /nfs/dbraw/zinc/06/33/35/869063335.db2.gz FZKSBCDKQHJILA-DZGCQCFKSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(OC(F)F)c(Br)c3)CC[C@H]21 ZINC000539404289 869063345 /nfs/dbraw/zinc/06/33/45/869063345.db2.gz FZKSBCDKQHJILA-DZGCQCFKSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)c(Br)c3)CC[C@H]21 ZINC000539404289 869063356 /nfs/dbraw/zinc/06/33/56/869063356.db2.gz FZKSBCDKQHJILA-DZGCQCFKSA-N 2 2 389.284 3.967 20 0 GHADLP COc1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1OC(C)C ZINC000428431151 869367496 /nfs/dbraw/zinc/36/74/96/869367496.db2.gz LBVIKTBFTRLSLU-XMMPIXPASA-N 2 2 398.547 3.551 20 0 GHADLP COc1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1OC(C)C ZINC000428431151 869367509 /nfs/dbraw/zinc/36/75/09/869367509.db2.gz LBVIKTBFTRLSLU-XMMPIXPASA-N 2 2 398.547 3.551 20 0 GHADLP COc1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC(C)C ZINC000428431151 869367519 /nfs/dbraw/zinc/36/75/19/869367519.db2.gz LBVIKTBFTRLSLU-XMMPIXPASA-N 2 2 398.547 3.551 20 0 GHADLP COc1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC(C)C ZINC000428431151 869367533 /nfs/dbraw/zinc/36/75/33/869367533.db2.gz LBVIKTBFTRLSLU-XMMPIXPASA-N 2 2 398.547 3.551 20 0 GHADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000539838968 869901560 /nfs/dbraw/zinc/90/15/60/869901560.db2.gz ZEZFLTTXFYAAMI-UHFFFAOYSA-N 2 2 379.957 3.664 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@@H]21 ZINC000539895250 869982197 /nfs/dbraw/zinc/98/21/97/869982197.db2.gz ALGNKWBIIAEKBY-LPHOPBHVSA-N 2 2 389.341 3.551 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@@H]21 ZINC000539895250 869982204 /nfs/dbraw/zinc/98/22/04/869982204.db2.gz ALGNKWBIIAEKBY-LPHOPBHVSA-N 2 2 389.341 3.551 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@@H]21 ZINC000539895250 869982213 /nfs/dbraw/zinc/98/22/13/869982213.db2.gz ALGNKWBIIAEKBY-LPHOPBHVSA-N 2 2 389.341 3.551 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@@H]21 ZINC000539895250 869982221 /nfs/dbraw/zinc/98/22/21/869982221.db2.gz ALGNKWBIIAEKBY-LPHOPBHVSA-N 2 2 389.341 3.551 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)s2)CC1 ZINC000462911732 870372257 /nfs/dbraw/zinc/37/22/57/870372257.db2.gz HRWAQDKLGXMBEW-GFCCVEGCSA-N 2 2 389.359 3.579 20 0 GHADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000525347876 870407572 /nfs/dbraw/zinc/40/75/72/870407572.db2.gz JYCAEKFEJOKNGM-IBGZPJMESA-N 2 2 399.539 3.738 20 0 GHADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000525347876 870407576 /nfs/dbraw/zinc/40/75/76/870407576.db2.gz JYCAEKFEJOKNGM-IBGZPJMESA-N 2 2 399.539 3.738 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1)CC1CC1 ZINC001192500101 870436648 /nfs/dbraw/zinc/43/66/48/870436648.db2.gz HEBKUWZJASTCFP-UHFFFAOYSA-N 3 2 399.623 3.853 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1)CC1CC1 ZINC001192500101 870436653 /nfs/dbraw/zinc/43/66/53/870436653.db2.gz HEBKUWZJASTCFP-UHFFFAOYSA-N 3 2 399.623 3.853 20 0 GHADLP CCCOc1c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cccc1OCC ZINC000538799284 870630105 /nfs/dbraw/zinc/63/01/05/870630105.db2.gz XICQXOICUUNIES-SVFBPWRDSA-N 2 2 376.541 3.558 20 0 GHADLP CCCOc1c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cccc1OCC ZINC000538799284 870630112 /nfs/dbraw/zinc/63/01/12/870630112.db2.gz XICQXOICUUNIES-SVFBPWRDSA-N 2 2 376.541 3.558 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000540150766 870630755 /nfs/dbraw/zinc/63/07/55/870630755.db2.gz IXJZWXGDVQTTSN-SJORKVTESA-N 2 2 378.520 3.843 20 0 GHADLP CC(C)[C@@H](CNC1CC[NH+](Cc2ccncc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000540192435 870726194 /nfs/dbraw/zinc/72/61/94/870726194.db2.gz MAMFKHQNFWGVSM-RUZDIDTESA-N 2 2 392.591 3.719 20 0 GHADLP CC(C)[C@@H](CNC1CC[NH+](Cc2ccncc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000540192435 870726212 /nfs/dbraw/zinc/72/62/12/870726212.db2.gz MAMFKHQNFWGVSM-RUZDIDTESA-N 2 2 392.591 3.719 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000446978557 870800940 /nfs/dbraw/zinc/80/09/40/870800940.db2.gz YCNRVBRGVMFONO-YOEHRIQHSA-N 2 2 379.932 3.672 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000446978557 870800948 /nfs/dbraw/zinc/80/09/48/870800948.db2.gz YCNRVBRGVMFONO-YOEHRIQHSA-N 2 2 379.932 3.672 20 0 GHADLP COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000463137632 870990906 /nfs/dbraw/zinc/99/09/06/870990906.db2.gz LMWQLVJUXVMPKB-WPYKKVEZSA-N 2 2 381.564 3.941 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000463167164 871064393 /nfs/dbraw/zinc/06/43/93/871064393.db2.gz DJJPGFHTXYZFEN-QZTJIDSGSA-N 2 2 375.582 3.608 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000463167164 871064416 /nfs/dbraw/zinc/06/44/16/871064416.db2.gz DJJPGFHTXYZFEN-QZTJIDSGSA-N 2 2 375.582 3.608 20 0 GHADLP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001169069277 871151502 /nfs/dbraw/zinc/15/15/02/871151502.db2.gz CDOFATPPHDHVKW-OAQYLSRUSA-N 2 2 377.536 3.643 20 0 GHADLP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001169069277 871151515 /nfs/dbraw/zinc/15/15/15/871151515.db2.gz CDOFATPPHDHVKW-OAQYLSRUSA-N 2 2 377.536 3.643 20 0 GHADLP CC(C)[NH+]1CCC(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000461897857 871184133 /nfs/dbraw/zinc/18/41/33/871184133.db2.gz YVQJFJLFMRQTLD-LJQANCHMSA-N 2 2 395.950 3.853 20 0 GHADLP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2=O)cc1 ZINC000463249625 871266608 /nfs/dbraw/zinc/26/66/08/871266608.db2.gz WOXITVFSBBDYEX-ZTCOLXNVSA-N 2 2 391.559 3.739 20 0 GHADLP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2=O)cc1 ZINC000463249625 871266630 /nfs/dbraw/zinc/26/66/30/871266630.db2.gz WOXITVFSBBDYEX-ZTCOLXNVSA-N 2 2 391.559 3.739 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)CCO2 ZINC000463283930 871329733 /nfs/dbraw/zinc/32/97/33/871329733.db2.gz CFFGJUQOWJSWGB-QFIPXVFZSA-N 2 2 384.495 3.955 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000618174228 871379707 /nfs/dbraw/zinc/37/97/07/871379707.db2.gz ROSBRBVHHKKGPO-INIZCTEOSA-N 2 2 376.932 3.612 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000618174228 871379731 /nfs/dbraw/zinc/37/97/31/871379731.db2.gz ROSBRBVHHKKGPO-INIZCTEOSA-N 2 2 376.932 3.612 20 0 GHADLP Cc1nc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)sc1Cc1ccc(C)cc1 ZINC000539220355 871534424 /nfs/dbraw/zinc/53/44/24/871534424.db2.gz TXHPKUWWLVHKBJ-UHFFFAOYSA-N 2 2 397.548 3.508 20 0 GHADLP Cc1nc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)sc1Cc1ccc(C)cc1 ZINC000539220355 871534430 /nfs/dbraw/zinc/53/44/30/871534430.db2.gz TXHPKUWWLVHKBJ-UHFFFAOYSA-N 2 2 397.548 3.508 20 0 GHADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(OC)c(OC)c1 ZINC001194212378 871558486 /nfs/dbraw/zinc/55/84/86/871558486.db2.gz ANJBLXBZBSJNHB-JOCHJYFZSA-N 2 2 397.563 3.957 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2cc(Cl)ccc2o1 ZINC000540594495 871652931 /nfs/dbraw/zinc/65/29/31/871652931.db2.gz WJHUEINYNGFVSH-RHSMWYFYSA-N 2 2 377.916 3.680 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2cc(Cl)ccc2o1 ZINC000540594495 871652941 /nfs/dbraw/zinc/65/29/41/871652941.db2.gz WJHUEINYNGFVSH-RHSMWYFYSA-N 2 2 377.916 3.680 20 0 GHADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-c3ccccc3OC)cc2)CC1 ZINC000539362191 871826606 /nfs/dbraw/zinc/82/66/06/871826606.db2.gz NQNWXQFBCBQNNT-RBUKOAKNSA-N 2 2 395.547 3.565 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CCCc4c(C)cccc43)CC2)CC1 ZINC000667268893 872245557 /nfs/dbraw/zinc/24/55/57/872245557.db2.gz QNRKVTZOAQAGHN-HSZRJFAPSA-N 2 2 398.595 3.574 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CCCc4c(C)cccc43)CC2)CC1 ZINC000667268893 872245573 /nfs/dbraw/zinc/24/55/73/872245573.db2.gz QNRKVTZOAQAGHN-HSZRJFAPSA-N 2 2 398.595 3.574 20 0 GHADLP COC(=O)c1ccc(Cl)c(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000619509098 872696017 /nfs/dbraw/zinc/69/60/17/872696017.db2.gz CCDJBZUAFJUQSK-IBGZPJMESA-N 2 2 383.879 3.934 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000191892278 882658264 /nfs/dbraw/zinc/65/82/64/882658264.db2.gz XTVUCNGQNVBKPF-UHFFFAOYSA-N 2 2 392.478 3.668 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000191892278 882658278 /nfs/dbraw/zinc/65/82/78/882658278.db2.gz XTVUCNGQNVBKPF-UHFFFAOYSA-N 2 2 392.478 3.668 20 0 GHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541201978 873125026 /nfs/dbraw/zinc/12/50/26/873125026.db2.gz DEXKBRLQKZFITB-GOSISDBHSA-N 2 2 386.515 3.734 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[C@@H](C[NH+]3CCC(C)CC3)C1)C2 ZINC000527531192 873222803 /nfs/dbraw/zinc/22/28/03/873222803.db2.gz OLOTYRMGLOUJPQ-OALUTQOASA-N 2 2 386.584 3.609 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[C@@H](C[NH+]3CCC(C)CC3)C1)CC2 ZINC000527531192 873222813 /nfs/dbraw/zinc/22/28/13/873222813.db2.gz OLOTYRMGLOUJPQ-OALUTQOASA-N 2 2 386.584 3.609 20 0 GHADLP Cc1ccc(F)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1F ZINC000541250788 873241197 /nfs/dbraw/zinc/24/11/97/873241197.db2.gz CWUVNYJMUSKPCF-OALUTQOASA-N 2 2 393.522 3.682 20 0 GHADLP Cc1ccc(F)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1F ZINC000541250788 873241207 /nfs/dbraw/zinc/24/12/07/873241207.db2.gz CWUVNYJMUSKPCF-OALUTQOASA-N 2 2 393.522 3.682 20 0 GHADLP CCC(C)(C)C1CCC(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000669896076 873253338 /nfs/dbraw/zinc/25/33/38/873253338.db2.gz QIHYAROGRFDVAW-SOAGJPPSSA-N 2 2 377.617 3.904 20 0 GHADLP CCC(C)(C)C1CCC(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000669896076 873253345 /nfs/dbraw/zinc/25/33/45/873253345.db2.gz QIHYAROGRFDVAW-SOAGJPPSSA-N 2 2 377.617 3.904 20 0 GHADLP Cc1cc(-c2noc([C@H](C)[N@@H+]3CCN(c4cc[nH+]cc4)[C@H](C)C3)n2)ccc1F ZINC001197368622 873777607 /nfs/dbraw/zinc/77/76/07/873777607.db2.gz KGDLBKRAPHZUNM-CVEARBPZSA-N 2 2 381.455 3.851 20 0 GHADLP Cc1cc(-c2noc([C@H](C)[N@H+]3CCN(c4cc[nH+]cc4)[C@H](C)C3)n2)ccc1F ZINC001197368622 873777617 /nfs/dbraw/zinc/77/76/17/873777617.db2.gz KGDLBKRAPHZUNM-CVEARBPZSA-N 2 2 381.455 3.851 20 0 GHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCc3ccsc3[C@H]2C)CC1 ZINC001197432491 873810536 /nfs/dbraw/zinc/81/05/36/873810536.db2.gz XLJKUCQUMMUBSM-LJQANCHMSA-N 2 2 397.588 3.710 20 0 GHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCc3ccsc3[C@H]2C)CC1 ZINC001197432491 873810548 /nfs/dbraw/zinc/81/05/48/873810548.db2.gz XLJKUCQUMMUBSM-LJQANCHMSA-N 2 2 397.588 3.710 20 0 GHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCc3ccsc3[C@H]2C)CC1 ZINC001197432491 873810563 /nfs/dbraw/zinc/81/05/63/873810563.db2.gz XLJKUCQUMMUBSM-LJQANCHMSA-N 2 2 397.588 3.710 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCc3ccsc3[C@H]2C)CC1 ZINC001197432491 873810577 /nfs/dbraw/zinc/81/05/77/873810577.db2.gz XLJKUCQUMMUBSM-LJQANCHMSA-N 2 2 397.588 3.710 20 0 GHADLP CN(Cc1ccc(F)cc1F)C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198022305 874184057 /nfs/dbraw/zinc/18/40/57/874184057.db2.gz SFIVICDLGIDSMZ-UHFFFAOYSA-N 2 2 389.490 3.621 20 0 GHADLP CN(Cc1ccc(F)cc1F)C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198022305 874184058 /nfs/dbraw/zinc/18/40/58/874184058.db2.gz SFIVICDLGIDSMZ-UHFFFAOYSA-N 2 2 389.490 3.621 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NC[C@@H]2CCCC(F)(F)C2)cc1 ZINC001198041589 874195315 /nfs/dbraw/zinc/19/53/15/874195315.db2.gz IOOLLVYEAWHOOC-GOSISDBHSA-N 2 2 381.511 3.625 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NC[C@@H]2CCCC(F)(F)C2)cc1 ZINC001198041589 874195319 /nfs/dbraw/zinc/19/53/19/874195319.db2.gz IOOLLVYEAWHOOC-GOSISDBHSA-N 2 2 381.511 3.625 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000464780938 874479593 /nfs/dbraw/zinc/47/95/93/874479593.db2.gz UMILEYKAHZQRNA-AQNXPRMDSA-N 2 2 385.596 3.795 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000464780938 874479599 /nfs/dbraw/zinc/47/95/99/874479599.db2.gz UMILEYKAHZQRNA-AQNXPRMDSA-N 2 2 385.596 3.795 20 0 GHADLP CC[N@@H+](CC(=O)N(C)C1CCC(C)CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804017 874515478 /nfs/dbraw/zinc/51/54/78/874515478.db2.gz BMDQRLTXUFIMCW-UHFFFAOYSA-N 2 2 386.584 3.657 20 0 GHADLP CC[N@H+](CC(=O)N(C)C1CCC(C)CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804017 874515480 /nfs/dbraw/zinc/51/54/80/874515480.db2.gz BMDQRLTXUFIMCW-UHFFFAOYSA-N 2 2 386.584 3.657 20 0 GHADLP CC(=O)Nc1ccc(C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)cc1 ZINC001199077378 874798102 /nfs/dbraw/zinc/79/81/02/874798102.db2.gz FRQYIWUAWDTGQW-UHFFFAOYSA-N 2 2 398.894 3.864 20 0 GHADLP Cc1nn(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(=S)n1C1CC1 ZINC000770651410 874824268 /nfs/dbraw/zinc/82/42/68/874824268.db2.gz LQVLGJYZUODGRR-UHFFFAOYSA-N 2 2 386.569 3.648 20 0 GHADLP Cc1nn(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(=S)n1C1CC1 ZINC000770651410 874824277 /nfs/dbraw/zinc/82/42/77/874824277.db2.gz LQVLGJYZUODGRR-UHFFFAOYSA-N 2 2 386.569 3.648 20 0 GHADLP COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c(OC)c1 ZINC000449469636 874898968 /nfs/dbraw/zinc/89/89/68/874898968.db2.gz USOPZNQJKRNNOK-CQSZACIVSA-N 2 2 387.505 3.680 20 0 GHADLP C[C@H]1CCC[C@](CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)([NH+](C)C)C1 ZINC000542115272 874956348 /nfs/dbraw/zinc/95/63/48/874956348.db2.gz CJKGVTQAMYOERT-UGKGYDQZSA-N 2 2 389.588 3.595 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000528803734 875079126 /nfs/dbraw/zinc/07/91/26/875079126.db2.gz WHVFOZZFWGXAKA-FGZHOGPDSA-N 2 2 394.563 3.910 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000528803734 875079133 /nfs/dbraw/zinc/07/91/33/875079133.db2.gz WHVFOZZFWGXAKA-FGZHOGPDSA-N 2 2 394.563 3.910 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000528803734 875079140 /nfs/dbraw/zinc/07/91/40/875079140.db2.gz WHVFOZZFWGXAKA-FGZHOGPDSA-N 2 2 394.563 3.910 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000528803734 875079149 /nfs/dbraw/zinc/07/91/49/875079149.db2.gz WHVFOZZFWGXAKA-FGZHOGPDSA-N 2 2 394.563 3.910 20 0 GHADLP COc1cc(C[NH+]2CCOCC2)ccc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170454305 882931958 /nfs/dbraw/zinc/93/19/58/882931958.db2.gz PPMDQJKXJIUHPN-UHFFFAOYSA-N 2 2 375.557 3.591 20 0 GHADLP CN(C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771769507 875474962 /nfs/dbraw/zinc/47/49/62/875474962.db2.gz SIXCDKKOZLGAQL-SESVDKBCSA-N 2 2 392.632 3.649 20 0 GHADLP CN(C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771769507 875474965 /nfs/dbraw/zinc/47/49/65/875474965.db2.gz SIXCDKKOZLGAQL-SESVDKBCSA-N 2 2 392.632 3.649 20 0 GHADLP C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000460490541 882935003 /nfs/dbraw/zinc/93/50/03/882935003.db2.gz MSTHOTADJSJGMU-FYQPLNBISA-N 2 2 399.579 3.573 20 0 GHADLP Cc1nc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000178929100 882937889 /nfs/dbraw/zinc/93/78/89/882937889.db2.gz MJRGPKWDXSLJTP-MSOLQXFVSA-N 2 2 393.601 3.561 20 0 GHADLP Cc1nc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000178929100 882937892 /nfs/dbraw/zinc/93/78/92/882937892.db2.gz MJRGPKWDXSLJTP-MSOLQXFVSA-N 2 2 393.601 3.561 20 0 GHADLP Cc1nc(NCc2cccc(C(=O)N3CCCC[C@@H]3[C@H](C)C[NH+](C)C)c2)cc[nH+]1 ZINC001149041199 875659415 /nfs/dbraw/zinc/65/94/15/875659415.db2.gz CQPVQDLHFUMSCF-DYESRHJHSA-N 2 2 395.551 3.590 20 0 GHADLP CO[C@@H](C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000669934477 875660387 /nfs/dbraw/zinc/66/03/87/875660387.db2.gz FVESQEFDMCMYEB-VXKWHMMOSA-N 2 2 388.939 3.596 20 0 GHADLP CO[C@@H](C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000669934477 875660394 /nfs/dbraw/zinc/66/03/94/875660394.db2.gz FVESQEFDMCMYEB-VXKWHMMOSA-N 2 2 388.939 3.596 20 0 GHADLP CO[C@@H](C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000669934477 875660399 /nfs/dbraw/zinc/66/03/99/875660399.db2.gz FVESQEFDMCMYEB-VXKWHMMOSA-N 2 2 388.939 3.596 20 0 GHADLP CO[C@@H](C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000669934477 875660408 /nfs/dbraw/zinc/66/04/08/875660408.db2.gz FVESQEFDMCMYEB-VXKWHMMOSA-N 2 2 388.939 3.596 20 0 GHADLP Cn1cc([C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)c2cccc(F)c2)cn1 ZINC000491377972 875660542 /nfs/dbraw/zinc/66/05/42/875660542.db2.gz AJHNBAKTPMZVLD-JOCHJYFZSA-N 2 2 375.451 3.683 20 0 GHADLP COc1nc(Cl)c(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)n1C ZINC001202289351 876108937 /nfs/dbraw/zinc/10/89/37/876108937.db2.gz RFUPKBBACQWBHZ-UHFFFAOYSA-N 2 2 376.932 3.604 20 0 GHADLP CC[C@H](C)[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000303956633 876123533 /nfs/dbraw/zinc/12/35/33/876123533.db2.gz KPUWASCURUHUST-RBBKRZOGSA-N 2 2 385.596 3.883 20 0 GHADLP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000108428261 876467087 /nfs/dbraw/zinc/46/70/87/876467087.db2.gz CLLVRLCNYHTIDK-MRXNPFEDSA-N 2 2 381.351 3.978 20 0 GHADLP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000108428261 876467095 /nfs/dbraw/zinc/46/70/95/876467095.db2.gz CLLVRLCNYHTIDK-MRXNPFEDSA-N 2 2 381.351 3.978 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000850516940 876988286 /nfs/dbraw/zinc/98/82/86/876988286.db2.gz PLGLDBNTTQYBEO-DKLXNKCPSA-N 2 2 375.516 3.768 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000850516940 876988297 /nfs/dbraw/zinc/98/82/97/876988297.db2.gz PLGLDBNTTQYBEO-DKLXNKCPSA-N 2 2 375.516 3.768 20 0 GHADLP CCN(CC)C(=O)[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193069938 883086911 /nfs/dbraw/zinc/08/69/11/883086911.db2.gz UNEZMICCGCIVEM-FYYLOGMGSA-N 2 2 379.548 3.708 20 0 GHADLP CCN(CC)C(=O)[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193069938 883086928 /nfs/dbraw/zinc/08/69/28/883086928.db2.gz UNEZMICCGCIVEM-FYYLOGMGSA-N 2 2 379.548 3.708 20 0 GHADLP COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000551418632 877178552 /nfs/dbraw/zinc/17/85/52/877178552.db2.gz OKAUAAQBDPWUJA-AVRDEDQJSA-N 2 2 377.488 3.691 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000174781749 877244750 /nfs/dbraw/zinc/24/47/50/877244750.db2.gz GVAPORCHGLTVHM-KDOFPFPSSA-N 2 2 386.367 3.614 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000174781749 877244755 /nfs/dbraw/zinc/24/47/55/877244755.db2.gz GVAPORCHGLTVHM-KDOFPFPSSA-N 2 2 386.367 3.614 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000174781749 877244769 /nfs/dbraw/zinc/24/47/69/877244769.db2.gz GVAPORCHGLTVHM-KDOFPFPSSA-N 2 2 386.367 3.614 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000174781749 877244785 /nfs/dbraw/zinc/24/47/85/877244785.db2.gz GVAPORCHGLTVHM-KDOFPFPSSA-N 2 2 386.367 3.614 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000530223558 877309820 /nfs/dbraw/zinc/30/98/20/877309820.db2.gz SVFWVDGKKRNMCU-LAUBAEHRSA-N 2 2 376.504 3.849 20 0 GHADLP CCc1ccc([C@H](CC(C)C)[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000530225736 877311545 /nfs/dbraw/zinc/31/15/45/877311545.db2.gz NARQLHRNOKHXDX-NRFANRHFSA-N 2 2 381.568 3.911 20 0 GHADLP CC[N@H+](CCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183049259 912219641 /nfs/dbraw/zinc/21/96/41/912219641.db2.gz ADKBNYIZJZALPS-AZUAARDMSA-N 2 2 398.551 3.555 20 0 GHADLP CC[N@@H+](CCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183049259 912219651 /nfs/dbraw/zinc/21/96/51/912219651.db2.gz ADKBNYIZJZALPS-AZUAARDMSA-N 2 2 398.551 3.555 20 0 GHADLP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCN(c2cc[nH+]cc2)CC1 ZINC000610159326 877462961 /nfs/dbraw/zinc/46/29/61/877462961.db2.gz IXVMKFGKFXIKDS-UHFFFAOYSA-N 2 2 390.487 3.750 20 0 GHADLP COc1cccc([C@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000245408721 877818922 /nfs/dbraw/zinc/81/89/22/877818922.db2.gz IPGQAOBECWMYBA-SFTDATJTSA-N 2 2 394.563 3.685 20 0 GHADLP COc1cccc([C@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000245408721 877818939 /nfs/dbraw/zinc/81/89/39/877818939.db2.gz IPGQAOBECWMYBA-SFTDATJTSA-N 2 2 394.563 3.685 20 0 GHADLP C[C@@H]1C(=O)N(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)[C@H]1c1ccccc1 ZINC000788381686 878044614 /nfs/dbraw/zinc/04/46/14/878044614.db2.gz GQUPQDUDNAATBC-LAUBAEHRSA-N 2 2 378.520 3.576 20 0 GHADLP Brc1ccccc1OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245537315 878061588 /nfs/dbraw/zinc/06/15/88/878061588.db2.gz IVFKGLRPYOPGCC-YJBOKZPZSA-N 2 2 379.342 3.777 20 0 GHADLP Brc1ccccc1OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245537315 878061609 /nfs/dbraw/zinc/06/16/09/878061609.db2.gz IVFKGLRPYOPGCC-YJBOKZPZSA-N 2 2 379.342 3.777 20 0 GHADLP Brc1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245537315 878061626 /nfs/dbraw/zinc/06/16/26/878061626.db2.gz IVFKGLRPYOPGCC-YJBOKZPZSA-N 2 2 379.342 3.777 20 0 GHADLP Brc1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245537315 878061646 /nfs/dbraw/zinc/06/16/46/878061646.db2.gz IVFKGLRPYOPGCC-YJBOKZPZSA-N 2 2 379.342 3.777 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)C1CC1 ZINC000788751815 878288793 /nfs/dbraw/zinc/28/87/93/878288793.db2.gz BGKFXLGBONRWPD-NRFANRHFSA-N 2 2 399.579 3.886 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)C1CC1 ZINC000788751815 878288809 /nfs/dbraw/zinc/28/88/09/878288809.db2.gz BGKFXLGBONRWPD-NRFANRHFSA-N 2 2 399.579 3.886 20 0 GHADLP FC(F)(F)c1ccc(-c2noc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)n2)cc1 ZINC000530711289 878323480 /nfs/dbraw/zinc/32/34/80/878323480.db2.gz GRMXCWHLUMSRMB-UHFFFAOYSA-N 2 2 377.370 3.858 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)[C@@H](C)C1 ZINC000245708415 878446338 /nfs/dbraw/zinc/44/63/38/878446338.db2.gz FKKPKQMGJJPTLZ-VBKZILBWSA-N 2 2 376.495 3.929 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)[C@@H](C)C1 ZINC000245708415 878446347 /nfs/dbraw/zinc/44/63/47/878446347.db2.gz FKKPKQMGJJPTLZ-VBKZILBWSA-N 2 2 376.495 3.929 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)[C@@H](C)C1 ZINC000245708415 878446356 /nfs/dbraw/zinc/44/63/56/878446356.db2.gz FKKPKQMGJJPTLZ-VBKZILBWSA-N 2 2 376.495 3.929 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)[C@@H](C)C1 ZINC000245708415 878446364 /nfs/dbraw/zinc/44/63/64/878446364.db2.gz FKKPKQMGJJPTLZ-VBKZILBWSA-N 2 2 376.495 3.929 20 0 GHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nc(C[NH+]3CCC[C@@H](C)C3)cs2)C[C@@H]1C ZINC000530777409 878475542 /nfs/dbraw/zinc/47/55/42/878475542.db2.gz FZCUMBKCMXLSOO-RYRKJORJSA-N 2 2 393.601 3.712 20 0 GHADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2nc(C[NH+]3CCC[C@@H](C)C3)cs2)C[C@@H]1C ZINC000530777409 878475546 /nfs/dbraw/zinc/47/55/46/878475546.db2.gz FZCUMBKCMXLSOO-RYRKJORJSA-N 2 2 393.601 3.712 20 0 GHADLP CC[NH+]1CC[C@H](N(C)C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C[C@@H]1C ZINC000530777409 878475552 /nfs/dbraw/zinc/47/55/52/878475552.db2.gz FZCUMBKCMXLSOO-RYRKJORJSA-N 2 2 393.601 3.712 20 0 GHADLP CC[NH+]1CC[C@H](N(C)C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C[C@@H]1C ZINC000530777409 878475557 /nfs/dbraw/zinc/47/55/57/878475557.db2.gz FZCUMBKCMXLSOO-RYRKJORJSA-N 2 2 393.601 3.712 20 0 GHADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000852744127 878573203 /nfs/dbraw/zinc/57/32/03/878573203.db2.gz SQZNODNGLPIHCI-LLVKDONJSA-N 2 2 381.236 3.561 20 0 GHADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000852744127 878573217 /nfs/dbraw/zinc/57/32/17/878573217.db2.gz SQZNODNGLPIHCI-LLVKDONJSA-N 2 2 381.236 3.561 20 0 GHADLP c1cc([C@@H]2CCC[NH+]2Cc2cccc(C[N@@H+]3CCC[C@H]3c3cc[nH]n3)c2)n[nH]1 ZINC000285612188 912362788 /nfs/dbraw/zinc/36/27/88/912362788.db2.gz CNKMMKHZTWXJKC-VXKWHMMOSA-N 2 2 376.508 3.807 20 0 GHADLP c1cc([C@@H]2CCC[NH+]2Cc2cccc(C[N@H+]3CCC[C@H]3c3cc[nH]n3)c2)n[nH]1 ZINC000285612188 912362822 /nfs/dbraw/zinc/36/28/22/912362822.db2.gz CNKMMKHZTWXJKC-VXKWHMMOSA-N 2 2 376.508 3.807 20 0 GHADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000177592375 878769115 /nfs/dbraw/zinc/76/91/15/878769115.db2.gz PBFOGXCPDMDPMB-IBGZPJMESA-N 2 2 397.910 3.624 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1OC(F)F ZINC000530949545 878824182 /nfs/dbraw/zinc/82/41/82/878824182.db2.gz HLYGGHPYIVPIHJ-UHFFFAOYSA-N 3 2 395.538 3.916 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1OC(F)F ZINC000530949545 878824188 /nfs/dbraw/zinc/82/41/88/878824188.db2.gz HLYGGHPYIVPIHJ-UHFFFAOYSA-N 3 2 395.538 3.916 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000178770616 879221568 /nfs/dbraw/zinc/22/15/68/879221568.db2.gz RVHANBULBRVODD-GOSISDBHSA-N 3 2 390.591 3.881 20 0 GHADLP Cc1ccc(C[N@H+](C)CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)s1 ZINC000538349160 879329973 /nfs/dbraw/zinc/32/99/73/879329973.db2.gz QKCTVZTVPFLAML-UHFFFAOYSA-N 2 2 385.577 3.531 20 0 GHADLP Cc1ccc(C[N@@H+](C)CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)s1 ZINC000538349160 879329987 /nfs/dbraw/zinc/32/99/87/879329987.db2.gz QKCTVZTVPFLAML-UHFFFAOYSA-N 2 2 385.577 3.531 20 0 GHADLP Cc1ccc(C[NH+](C)CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)s1 ZINC000538349160 879330001 /nfs/dbraw/zinc/33/00/01/879330001.db2.gz QKCTVZTVPFLAML-UHFFFAOYSA-N 2 2 385.577 3.531 20 0 GHADLP Cc1ccc(C[NH+](C)CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)s1 ZINC000538349160 879330013 /nfs/dbraw/zinc/33/00/13/879330013.db2.gz QKCTVZTVPFLAML-UHFFFAOYSA-N 2 2 385.577 3.531 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cc2c(Br)cnn2C)CC1)CC(C)C ZINC000564378577 879348200 /nfs/dbraw/zinc/34/82/00/879348200.db2.gz MGRUBJQWPFHPKD-UHFFFAOYSA-N 2 2 385.394 3.763 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cc2c(Br)cnn2C)CC1)CC(C)C ZINC000564378577 879348220 /nfs/dbraw/zinc/34/82/20/879348220.db2.gz MGRUBJQWPFHPKD-UHFFFAOYSA-N 2 2 385.394 3.763 20 0 GHADLP CCC[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CCCCC1 ZINC000538393342 879408821 /nfs/dbraw/zinc/40/88/21/879408821.db2.gz VSWSJQYEUIHNRJ-QFIPXVFZSA-N 2 2 387.568 3.796 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1Br ZINC000246449369 879574209 /nfs/dbraw/zinc/57/42/09/879574209.db2.gz PCTHBZOGTGOCSD-GDIGMMSISA-N 2 2 381.358 3.868 20 0 GHADLP C[C@@H](c1ccc(Cl)cc1)[N@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C1CC1 ZINC000790370075 879672385 /nfs/dbraw/zinc/67/23/85/879672385.db2.gz NXWJRUBGSLHPFW-BTYIYWSLSA-N 2 2 389.927 3.740 20 0 GHADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C1CC1 ZINC000790370075 879672392 /nfs/dbraw/zinc/67/23/92/879672392.db2.gz NXWJRUBGSLHPFW-BTYIYWSLSA-N 2 2 389.927 3.740 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000246564671 879688957 /nfs/dbraw/zinc/68/89/57/879688957.db2.gz XJDJEWPBSYIULJ-DENIHFKCSA-N 2 2 390.531 3.899 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000246564671 879688962 /nfs/dbraw/zinc/68/89/62/879688962.db2.gz XJDJEWPBSYIULJ-DENIHFKCSA-N 2 2 390.531 3.899 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1Br ZINC000246739128 879784658 /nfs/dbraw/zinc/78/46/58/879784658.db2.gz GQHOZLRUEGVIRZ-RLFYNMQTSA-N 2 2 394.357 3.501 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1Br ZINC000246739128 879784672 /nfs/dbraw/zinc/78/46/72/879784672.db2.gz GQHOZLRUEGVIRZ-RLFYNMQTSA-N 2 2 394.357 3.501 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Br ZINC000246739128 879784685 /nfs/dbraw/zinc/78/46/85/879784685.db2.gz GQHOZLRUEGVIRZ-RLFYNMQTSA-N 2 2 394.357 3.501 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1Br ZINC000246739128 879784690 /nfs/dbraw/zinc/78/46/90/879784690.db2.gz GQHOZLRUEGVIRZ-RLFYNMQTSA-N 2 2 394.357 3.501 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2ccccc2)cc1 ZINC000494074975 879899240 /nfs/dbraw/zinc/89/92/40/879899240.db2.gz KATRYIYCCLPFFL-RBZQAINGSA-N 2 2 380.532 3.752 20 0 GHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000140391513 879953979 /nfs/dbraw/zinc/95/39/79/879953979.db2.gz DYEBLRPPDOEUQP-MOPGFXCFSA-N 2 2 397.567 3.514 20 0 GHADLP C[C@@H](O)[C@](C)(C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)Cc1ccccc1 ZINC000790726277 879964588 /nfs/dbraw/zinc/96/45/88/879964588.db2.gz QDRTVODVDSQZPE-NLFFAJNJSA-N 2 2 395.591 3.941 20 0 GHADLP CC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000247553447 880024128 /nfs/dbraw/zinc/02/41/28/880024128.db2.gz QDBKZOCRVWAACE-FCHUYYIVSA-N 2 2 398.595 3.801 20 0 GHADLP CC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000247553447 880024140 /nfs/dbraw/zinc/02/41/40/880024140.db2.gz QDBKZOCRVWAACE-FCHUYYIVSA-N 2 2 398.595 3.801 20 0 GHADLP CC[C@H]1CC[C@H](c2ccc(-c3noc([C@@H](N)C[NH+]4CCC([NH3+])CC4)n3)cc2)CC1 ZINC001212314835 880031043 /nfs/dbraw/zinc/03/10/43/880031043.db2.gz KRVUYOHMNWOTBT-FIKGOQFSSA-N 2 2 397.567 3.843 20 0 GHADLP CC(C)[C@H](C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[NH+]1CCCCC1 ZINC000791269453 880295612 /nfs/dbraw/zinc/29/56/12/880295612.db2.gz CBWWJWSGPFZQMK-GHTZIAJQSA-N 2 2 386.584 3.941 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@H](OC(C)C)C3(C)C)CC2)cc1 ZINC000453331538 880763699 /nfs/dbraw/zinc/76/36/99/880763699.db2.gz UINDMBUZNJSNFY-VXKWHMMOSA-N 2 2 387.568 3.791 20 0 GHADLP CCC1(CC)[C@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C[C@@H]1OC ZINC000453324457 880795623 /nfs/dbraw/zinc/79/56/23/880795623.db2.gz LGQPRZULUVSOKH-YADHBBJMSA-N 2 2 387.568 3.793 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000453325540 880796966 /nfs/dbraw/zinc/79/69/66/880796966.db2.gz MOHRZVIGKMCTMG-KRWDZBQOSA-N 2 2 381.520 3.969 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000531967619 880835001 /nfs/dbraw/zinc/83/50/01/880835001.db2.gz NFPKCVFHEDTBBA-UHFFFAOYSA-N 2 2 394.906 3.920 20 0 GHADLP Brc1ccc(Br)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000186760256 880978555 /nfs/dbraw/zinc/97/85/55/880978555.db2.gz YCWGXRATLPGBCJ-UONOGXRCSA-N 2 2 388.147 3.928 20 0 GHADLP Brc1ccc(Br)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000186760256 880978568 /nfs/dbraw/zinc/97/85/68/880978568.db2.gz YCWGXRATLPGBCJ-UONOGXRCSA-N 2 2 388.147 3.928 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000792259115 881021767 /nfs/dbraw/zinc/02/17/67/881021767.db2.gz JJFPRZLYYPFMOY-ROUUACIJSA-N 2 2 384.524 3.916 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000792259115 881021785 /nfs/dbraw/zinc/02/17/85/881021785.db2.gz JJFPRZLYYPFMOY-ROUUACIJSA-N 2 2 384.524 3.916 20 0 GHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000187476987 881207521 /nfs/dbraw/zinc/20/75/21/881207521.db2.gz PEWXMXRCSIUDHL-BVSLBCMMSA-N 2 2 397.567 3.632 20 0 GHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000187476987 881207541 /nfs/dbraw/zinc/20/75/41/881207541.db2.gz PEWXMXRCSIUDHL-BVSLBCMMSA-N 2 2 397.567 3.632 20 0 GHADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@@H]2C[C@H]3CCC[C@H]3O2)o1 ZINC001170196101 881232087 /nfs/dbraw/zinc/23/20/87/881232087.db2.gz YCOUGJDDZKTSSS-HYVNUMGLSA-N 2 2 394.313 3.698 20 0 GHADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@@H]2C[C@H]3CCC[C@H]3O2)o1 ZINC001170196101 881232097 /nfs/dbraw/zinc/23/20/97/881232097.db2.gz YCOUGJDDZKTSSS-HYVNUMGLSA-N 2 2 394.313 3.698 20 0 GHADLP CC[C@@H]1C[C@H]([N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001170224324 881262558 /nfs/dbraw/zinc/26/25/58/881262558.db2.gz VELQWHXGDBWUHQ-VAMGGRTRSA-N 2 2 379.495 3.572 20 0 GHADLP CC[C@@H]1C[C@H]([N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001170224324 881262566 /nfs/dbraw/zinc/26/25/66/881262566.db2.gz VELQWHXGDBWUHQ-VAMGGRTRSA-N 2 2 379.495 3.572 20 0 GHADLP CC[C@@H]1C[C@H]([NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001170224324 881262577 /nfs/dbraw/zinc/26/25/77/881262577.db2.gz VELQWHXGDBWUHQ-VAMGGRTRSA-N 2 2 379.495 3.572 20 0 GHADLP CC[C@@H]1C[C@H]([NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001170224324 881262589 /nfs/dbraw/zinc/26/25/89/881262589.db2.gz VELQWHXGDBWUHQ-VAMGGRTRSA-N 2 2 379.495 3.572 20 0 GHADLP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000123246804 883280071 /nfs/dbraw/zinc/28/00/71/883280071.db2.gz BDEFZPTUVOQIJA-UHFFFAOYSA-N 2 2 392.594 3.864 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)cc1F ZINC000135295848 883289855 /nfs/dbraw/zinc/28/98/55/883289855.db2.gz NFZHYHDEOURNML-QFIPXVFZSA-N 2 2 383.511 3.731 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccccc1-n1ccnn1 ZINC000286345170 912702959 /nfs/dbraw/zinc/70/29/59/912702959.db2.gz YZPRSUVAVLPCRF-QZTJIDSGSA-N 2 2 376.508 3.539 20 0 GHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c2ccccc21 ZINC000643466057 912714930 /nfs/dbraw/zinc/71/49/30/912714930.db2.gz ULFFNSDXECRCRJ-XWIAVFTESA-N 2 2 375.394 3.545 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CCOCC1)c1ccccc1 ZINC000194050323 883650575 /nfs/dbraw/zinc/65/05/75/883650575.db2.gz GCFJYSJAMJHQPT-PSWRPDDJSA-N 2 2 384.564 3.824 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[N@H+](C)Cc3ccc(C[NH+](C)C)cc3)co2)cc1 ZINC000859211743 883664537 /nfs/dbraw/zinc/66/45/37/883664537.db2.gz CTTPQZUOXZCXRR-UHFFFAOYSA-N 2 2 393.487 3.822 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[N@@H+](C)Cc3ccc(C[NH+](C)C)cc3)co2)cc1 ZINC000859211743 883664544 /nfs/dbraw/zinc/66/45/44/883664544.db2.gz CTTPQZUOXZCXRR-UHFFFAOYSA-N 2 2 393.487 3.822 20 0 GHADLP CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000859294463 883724059 /nfs/dbraw/zinc/72/40/59/883724059.db2.gz NEHYNAVQFJQBQM-GOSISDBHSA-N 2 2 388.556 3.656 20 0 GHADLP CC(C)(C)OC(=O)N1CC(CC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000859294463 883724073 /nfs/dbraw/zinc/72/40/73/883724073.db2.gz NEHYNAVQFJQBQM-GOSISDBHSA-N 2 2 388.556 3.656 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000136308782 883780566 /nfs/dbraw/zinc/78/05/66/883780566.db2.gz REYMJSMIKLCGRX-UHFFFAOYSA-N 2 2 390.285 3.526 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000136308782 883780581 /nfs/dbraw/zinc/78/05/81/883780581.db2.gz REYMJSMIKLCGRX-UHFFFAOYSA-N 2 2 390.285 3.526 20 0 GHADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(Br)c(Br)o1 ZINC001138879545 912749634 /nfs/dbraw/zinc/74/96/34/912749634.db2.gz JWLKQDLQHCKHMZ-UHFFFAOYSA-N 2 2 382.140 3.968 20 0 GHADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(Br)c(Br)o1 ZINC001138879545 912749646 /nfs/dbraw/zinc/74/96/46/912749646.db2.gz JWLKQDLQHCKHMZ-UHFFFAOYSA-N 2 2 382.140 3.968 20 0 GHADLP CC(C)(O)C[N@@H+](Cc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551396147 883806178 /nfs/dbraw/zinc/80/61/78/883806178.db2.gz QDVVLLWVWVGGKA-QHCPKHFHSA-N 2 2 382.548 3.551 20 0 GHADLP CC(C)(O)C[N@H+](Cc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551396147 883806208 /nfs/dbraw/zinc/80/62/08/883806208.db2.gz QDVVLLWVWVGGKA-QHCPKHFHSA-N 2 2 382.548 3.551 20 0 GHADLP CC(C)(O)C[NH+](Cc1ccccc1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551396147 883806230 /nfs/dbraw/zinc/80/62/30/883806230.db2.gz QDVVLLWVWVGGKA-QHCPKHFHSA-N 2 2 382.548 3.551 20 0 GHADLP CC(C)(O)C[NH+](Cc1ccccc1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551396147 883806248 /nfs/dbraw/zinc/80/62/48/883806248.db2.gz QDVVLLWVWVGGKA-QHCPKHFHSA-N 2 2 382.548 3.551 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000556225503 884154542 /nfs/dbraw/zinc/15/45/42/884154542.db2.gz VOCBPHBCPDCZHG-IFXJQAMLSA-N 2 2 392.316 3.983 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000556225503 884154551 /nfs/dbraw/zinc/15/45/51/884154551.db2.gz VOCBPHBCPDCZHG-IFXJQAMLSA-N 2 2 392.316 3.983 20 0 GHADLP Cc1cncc(-c2nc(C[NH+]3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)no2)c1 ZINC000556226429 884157587 /nfs/dbraw/zinc/15/75/87/884157587.db2.gz VUCRGFVLBVXAHM-GOSISDBHSA-N 2 2 383.540 3.917 20 0 GHADLP Cc1cncc(-c2nc(C[NH+]3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)no2)c1 ZINC000556226429 884157592 /nfs/dbraw/zinc/15/75/92/884157592.db2.gz VUCRGFVLBVXAHM-GOSISDBHSA-N 2 2 383.540 3.917 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1C(F)(F)F ZINC000556240957 884206300 /nfs/dbraw/zinc/20/63/00/884206300.db2.gz KYEQSXFPEVGRHL-MAUKXSAKSA-N 2 2 378.438 3.775 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1C(F)(F)F ZINC000556240957 884206320 /nfs/dbraw/zinc/20/63/20/884206320.db2.gz KYEQSXFPEVGRHL-MAUKXSAKSA-N 2 2 378.438 3.775 20 0 GHADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+]([C@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168178909 884457751 /nfs/dbraw/zinc/45/77/51/884457751.db2.gz FXHVNUIZDKTYRS-MRXNPFEDSA-N 2 2 375.948 3.609 20 0 GHADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+]([C@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168178909 884457758 /nfs/dbraw/zinc/45/77/58/884457758.db2.gz FXHVNUIZDKTYRS-MRXNPFEDSA-N 2 2 375.948 3.609 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+]([C@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168178909 884457762 /nfs/dbraw/zinc/45/77/62/884457762.db2.gz FXHVNUIZDKTYRS-MRXNPFEDSA-N 2 2 375.948 3.609 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+]([C@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168178909 884457766 /nfs/dbraw/zinc/45/77/66/884457766.db2.gz FXHVNUIZDKTYRS-MRXNPFEDSA-N 2 2 375.948 3.609 20 0 GHADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000898313578 884724834 /nfs/dbraw/zinc/72/48/34/884724834.db2.gz YLTYPBXBMUQCOT-OALUTQOASA-N 2 2 397.604 3.501 20 0 GHADLP CCC[N@H+](C)CC(C)(C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000666454545 885101971 /nfs/dbraw/zinc/10/19/71/885101971.db2.gz MBXDCOCOFBTCAG-UHFFFAOYSA-N 2 2 381.524 3.844 20 0 GHADLP CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000666454545 885101978 /nfs/dbraw/zinc/10/19/78/885101978.db2.gz MBXDCOCOFBTCAG-UHFFFAOYSA-N 2 2 381.524 3.844 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)C[C@H](C)O1 ZINC000643898368 912932510 /nfs/dbraw/zinc/93/25/10/912932510.db2.gz BUGUZRDBOQOYNH-KDURUIRLSA-N 2 2 386.511 3.994 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)C[C@H](C)O1 ZINC000643898368 912932525 /nfs/dbraw/zinc/93/25/25/912932525.db2.gz BUGUZRDBOQOYNH-KDURUIRLSA-N 2 2 386.511 3.994 20 0 GHADLP C[N@H+](Cc1ccc(Br)c(Br)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216882 886075814 /nfs/dbraw/zinc/07/58/14/886075814.db2.gz LVMIMTBZTSMDAA-ZIAGYGMSSA-N 2 2 376.136 3.913 20 0 GHADLP C[N@@H+](Cc1ccc(Br)c(Br)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216882 886075828 /nfs/dbraw/zinc/07/58/28/886075828.db2.gz LVMIMTBZTSMDAA-ZIAGYGMSSA-N 2 2 376.136 3.913 20 0 GHADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000498940836 886150258 /nfs/dbraw/zinc/15/02/58/886150258.db2.gz YFLNRDZFKBLRJU-INIZCTEOSA-N 2 2 381.261 3.633 20 0 GHADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000498940836 886150269 /nfs/dbraw/zinc/15/02/69/886150269.db2.gz YFLNRDZFKBLRJU-INIZCTEOSA-N 2 2 381.261 3.633 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(N2CCCC2=O)cc1 ZINC000777259778 886393863 /nfs/dbraw/zinc/39/38/63/886393863.db2.gz WMPXBMFXDKEFAB-LAUBAEHRSA-N 2 2 393.535 3.522 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(=O)[nH]n1 ZINC000556871544 886426829 /nfs/dbraw/zinc/42/68/29/886426829.db2.gz UKDNFNIAUJORDF-KRWDZBQOSA-N 2 2 385.471 3.945 20 0 GHADLP C[N@@H+]1CC[C@@H](CNc2nc(N3CCCC3)cc[nH+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762575694 886450970 /nfs/dbraw/zinc/45/09/70/886450970.db2.gz YLKYFQXNLXTSAA-HNAYVOBHSA-N 2 2 389.906 3.974 20 0 GHADLP C[N@H+]1CC[C@@H](CNc2nc(N3CCCC3)cc[nH+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762575694 886450977 /nfs/dbraw/zinc/45/09/77/886450977.db2.gz YLKYFQXNLXTSAA-HNAYVOBHSA-N 2 2 389.906 3.974 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123068737 886609996 /nfs/dbraw/zinc/60/99/96/886609996.db2.gz BYWDEQOCDIOIGL-RDPSFJRHSA-N 3 2 378.564 3.678 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123068737 886610004 /nfs/dbraw/zinc/61/00/04/886610004.db2.gz BYWDEQOCDIOIGL-RDPSFJRHSA-N 3 2 378.564 3.678 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)c1ccco1 ZINC000057631224 886780477 /nfs/dbraw/zinc/78/04/77/886780477.db2.gz JJEDJKGCGNPWAX-SFHVURJKSA-N 2 2 388.512 3.525 20 0 GHADLP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nnc(Cc4ccccc4C)o3)C2)[nH+]1 ZINC000125241546 886841924 /nfs/dbraw/zinc/84/19/24/886841924.db2.gz WQABTBFPGKMZIA-GOSISDBHSA-N 2 2 377.492 3.606 20 0 GHADLP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nnc(Cc4ccccc4C)o3)C2)[nH+]1 ZINC000125241546 886841939 /nfs/dbraw/zinc/84/19/39/886841939.db2.gz WQABTBFPGKMZIA-GOSISDBHSA-N 2 2 377.492 3.606 20 0 GHADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2nc3ccc(Br)cc3s2)C1 ZINC000809767694 887754504 /nfs/dbraw/zinc/75/45/04/887754504.db2.gz RIMNKXZVRSPMGH-IUODEOHRSA-N 2 2 380.355 3.975 20 0 GHADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2nc3ccc(Br)cc3s2)C1 ZINC000809767694 887754512 /nfs/dbraw/zinc/75/45/12/887754512.db2.gz RIMNKXZVRSPMGH-IUODEOHRSA-N 2 2 380.355 3.975 20 0 GHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2nc3ccc(Br)cc3s2)C1 ZINC000809767694 887754523 /nfs/dbraw/zinc/75/45/23/887754523.db2.gz RIMNKXZVRSPMGH-IUODEOHRSA-N 2 2 380.355 3.975 20 0 GHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2nc3ccc(Br)cc3s2)C1 ZINC000809767694 887754530 /nfs/dbraw/zinc/75/45/30/887754530.db2.gz RIMNKXZVRSPMGH-IUODEOHRSA-N 2 2 380.355 3.975 20 0 GHADLP CC(C)(C)[NH+]1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000133826252 887804996 /nfs/dbraw/zinc/80/49/96/887804996.db2.gz ZQWXNHGSYKQVPH-RTWAWAEBSA-N 2 2 395.551 3.674 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2cc(Br)ccc21 ZINC000794811153 888163425 /nfs/dbraw/zinc/16/34/25/888163425.db2.gz VLBGGWPAZFZWKR-DAYGRLMNSA-N 2 2 379.342 3.624 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c2cc(Br)ccc21 ZINC000794811153 888163432 /nfs/dbraw/zinc/16/34/32/888163432.db2.gz VLBGGWPAZFZWKR-DAYGRLMNSA-N 2 2 379.342 3.624 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCc3ccc(F)c4ccccc34)CC2)CC1 ZINC000865064538 888167444 /nfs/dbraw/zinc/16/74/44/888167444.db2.gz VWKROPIQOWKZIY-UHFFFAOYSA-N 2 2 397.538 3.586 20 0 GHADLP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000794834031 888271943 /nfs/dbraw/zinc/27/19/43/888271943.db2.gz WOOLNUXOENNYHN-QWFCFKBJSA-N 2 2 390.572 3.527 20 0 GHADLP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000794834031 888271948 /nfs/dbraw/zinc/27/19/48/888271948.db2.gz WOOLNUXOENNYHN-QWFCFKBJSA-N 2 2 390.572 3.527 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(N2CCCCC2=O)cc1 ZINC000810260166 888324423 /nfs/dbraw/zinc/32/44/23/888324423.db2.gz AFJCYOLANLYHIG-SFHVURJKSA-N 2 2 378.520 3.918 20 0 GHADLP CN(c1ccccc1C[N@@H+]1CCOc2cccc(F)c2C1)C1CC[NH+](C)CC1 ZINC000670271889 888359615 /nfs/dbraw/zinc/35/96/15/888359615.db2.gz XZUYXMVIZIKIBU-UHFFFAOYSA-N 2 2 383.511 3.751 20 0 GHADLP CN(c1ccccc1C[N@H+]1CCOc2cccc(F)c2C1)C1CC[NH+](C)CC1 ZINC000670271889 888359627 /nfs/dbraw/zinc/35/96/27/888359627.db2.gz XZUYXMVIZIKIBU-UHFFFAOYSA-N 2 2 383.511 3.751 20 0 GHADLP O=c1[nH]ccc2oc(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CC34CCC4)cc21 ZINC000865631733 888488407 /nfs/dbraw/zinc/48/84/07/888488407.db2.gz HXFHGYBRDVFJHB-GOSISDBHSA-N 2 2 377.488 3.925 20 0 GHADLP O=c1[nH]ccc2oc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)cc21 ZINC000865631733 888488416 /nfs/dbraw/zinc/48/84/16/888488416.db2.gz HXFHGYBRDVFJHB-GOSISDBHSA-N 2 2 377.488 3.925 20 0 GHADLP O[C@@H]1CCC[C@]1(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(F)cc1 ZINC000428569871 888741310 /nfs/dbraw/zinc/74/13/10/888741310.db2.gz HDGGGYJXEGLNTF-DHIUTWEWSA-N 2 2 379.479 3.875 20 0 GHADLP c1cc(Sc2ccccn2)oc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000509673696 888763859 /nfs/dbraw/zinc/76/38/59/888763859.db2.gz QEVOZBJNSPVUFW-UHFFFAOYSA-N 2 2 395.528 3.948 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[NH+](C3CCCC3)CC2)c(C)c1 ZINC000532753854 888885946 /nfs/dbraw/zinc/88/59/46/888885946.db2.gz UFDBGGNRJJGUFZ-JOCHJYFZSA-N 2 2 395.551 3.511 20 0 GHADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000245589441 889026345 /nfs/dbraw/zinc/02/63/45/889026345.db2.gz KQNKMVXELNYAAQ-DBXWQHBBSA-N 2 2 391.519 3.735 20 0 GHADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000245589441 889026362 /nfs/dbraw/zinc/02/63/62/889026362.db2.gz KQNKMVXELNYAAQ-DBXWQHBBSA-N 2 2 391.519 3.735 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@](C[NH3+])(C(C)(C)C)C3)n2)C1 ZINC000868095051 889290731 /nfs/dbraw/zinc/29/07/31/889290731.db2.gz OITHVLLAGJUKNR-MGPUTAFESA-N 2 2 393.601 3.604 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@](C[NH3+])(C(C)(C)C)C3)n2)C1 ZINC000868095051 889290750 /nfs/dbraw/zinc/29/07/50/889290750.db2.gz OITHVLLAGJUKNR-MGPUTAFESA-N 2 2 393.601 3.604 20 0 GHADLP Brc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000124522939 889659333 /nfs/dbraw/zinc/65/93/33/889659333.db2.gz JBDANMPNTATOGZ-HUUCEWRRSA-N 2 2 388.147 3.928 20 0 GHADLP Brc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1Br ZINC000124522939 889659340 /nfs/dbraw/zinc/65/93/40/889659340.db2.gz JBDANMPNTATOGZ-HUUCEWRRSA-N 2 2 388.147 3.928 20 0 GHADLP CCc1cc(C)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000124531773 889662871 /nfs/dbraw/zinc/66/28/71/889662871.db2.gz SDZKMGMSZASRCF-PMACEKPBSA-N 2 2 375.557 3.560 20 0 GHADLP CCc1cc(C)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000124531773 889662878 /nfs/dbraw/zinc/66/28/78/889662878.db2.gz SDZKMGMSZASRCF-PMACEKPBSA-N 2 2 375.557 3.560 20 0 GHADLP CN(C(=O)c1cc(F)c(F)c(F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124688607 889725289 /nfs/dbraw/zinc/72/52/89/889725289.db2.gz DMTLYZOHDWLFDN-OALUTQOASA-N 2 2 397.485 3.513 20 0 GHADLP CN(C(=O)c1cc(F)c(F)c(F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124688607 889725295 /nfs/dbraw/zinc/72/52/95/889725295.db2.gz DMTLYZOHDWLFDN-OALUTQOASA-N 2 2 397.485 3.513 20 0 GHADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000533104267 889779071 /nfs/dbraw/zinc/77/90/71/889779071.db2.gz KOXUIMBUGLPRRC-QFIPXVFZSA-N 2 2 398.938 3.595 20 0 GHADLP C[N@H+](CCCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CC1 ZINC000455023307 890157611 /nfs/dbraw/zinc/15/76/11/890157611.db2.gz LZXNFKNXQBNLHR-UHFFFAOYSA-N 2 2 379.508 3.598 20 0 GHADLP C[N@@H+](CCCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CC1 ZINC000455023307 890157620 /nfs/dbraw/zinc/15/76/20/890157620.db2.gz LZXNFKNXQBNLHR-UHFFFAOYSA-N 2 2 379.508 3.598 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)c(C)c1 ZINC000533534463 890775243 /nfs/dbraw/zinc/77/52/43/890775243.db2.gz PRVWYCZXEPGGDW-RUOSDFBUSA-N 2 2 382.552 3.724 20 0 GHADLP O=C(C[NH+]1CCC(C2CCCCC2)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000917059217 890861371 /nfs/dbraw/zinc/86/13/71/890861371.db2.gz CJNQBGJJVUEDTN-UHFFFAOYSA-N 2 2 399.579 3.750 20 0 GHADLP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1c(Br)ccc2[nH+]ccn21 ZINC001170688197 891033830 /nfs/dbraw/zinc/03/38/30/891033830.db2.gz UNYZJBDZXBZQSR-LBPRGKRZSA-N 2 2 382.265 3.969 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000644854465 913514904 /nfs/dbraw/zinc/51/49/04/913514904.db2.gz MFKHUNZBIOELJF-NRFANRHFSA-N 2 2 380.536 3.703 20 0 GHADLP C[C@H](CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[NH+]1CCCCC1 ZINC000812968442 891168963 /nfs/dbraw/zinc/16/89/63/891168963.db2.gz NUAMRHBISXFVCI-QGZVFWFLSA-N 2 2 381.524 3.882 20 0 GHADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)C[C@H]1C(F)(F)F ZINC000872150582 891183855 /nfs/dbraw/zinc/18/38/55/891183855.db2.gz FRICEQVZHQUSLM-TZMCWYRMSA-N 2 2 388.231 3.566 20 0 GHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)C[C@H]1C(F)(F)F ZINC000872150582 891183863 /nfs/dbraw/zinc/18/38/63/891183863.db2.gz FRICEQVZHQUSLM-TZMCWYRMSA-N 2 2 388.231 3.566 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000248072709 891409210 /nfs/dbraw/zinc/40/92/10/891409210.db2.gz MPXYUNVYKRDMBD-JSNMRZPZSA-N 2 2 394.346 3.922 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000248072709 891409215 /nfs/dbraw/zinc/40/92/15/891409215.db2.gz MPXYUNVYKRDMBD-JSNMRZPZSA-N 2 2 394.346 3.922 20 0 GHADLP CCCCc1nc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)cc(C)[nH+]1 ZINC001170718418 892133594 /nfs/dbraw/zinc/13/35/94/892133594.db2.gz MFXGXIRNRFVQBO-MEMLXQNLSA-N 2 2 385.600 3.878 20 0 GHADLP CCC(CC)(CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000533733589 892734616 /nfs/dbraw/zinc/73/46/16/892734616.db2.gz YYXKWFGZGVOCDA-ICSRJNTNSA-N 2 2 397.567 3.829 20 0 GHADLP O=C(NCCCCCCC[NH+]1CCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000747952462 892844648 /nfs/dbraw/zinc/84/46/48/892844648.db2.gz AMWRRRWWKFUVAW-UHFFFAOYSA-N 2 2 392.613 3.622 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(O)c1Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000645152220 913710793 /nfs/dbraw/zinc/71/07/93/913710793.db2.gz ZEIKUXDWIWCTOD-AWEZNQCLSA-N 2 2 377.891 3.787 20 0 GHADLP CCC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1nnc2ccccn21 ZINC000129086229 893008225 /nfs/dbraw/zinc/00/82/25/893008225.db2.gz RGCZWEWSYLDNSC-NRFANRHFSA-N 2 2 377.536 3.867 20 0 GHADLP CC1(C)C[C@H]([NH2+]Cc2cccc(N3CCOCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000645183928 913734571 /nfs/dbraw/zinc/73/45/71/913734571.db2.gz SQPCTEPVNRDTFN-QFIPXVFZSA-N 2 2 379.548 3.666 20 0 GHADLP CC1(C)C[C@H]([NH2+]Cc2cccc(N3CCOCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000645183928 913734574 /nfs/dbraw/zinc/73/45/74/913734574.db2.gz SQPCTEPVNRDTFN-QFIPXVFZSA-N 2 2 379.548 3.666 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000129366399 893283782 /nfs/dbraw/zinc/28/37/82/893283782.db2.gz LVLMCEKSBIBHBM-CVDCTZTESA-N 2 2 388.515 3.996 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000129366399 893283795 /nfs/dbraw/zinc/28/37/95/893283795.db2.gz LVLMCEKSBIBHBM-CVDCTZTESA-N 2 2 388.515 3.996 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000563119670 893373044 /nfs/dbraw/zinc/37/30/44/893373044.db2.gz CKCIUDUDWGSWPT-OAQYLSRUSA-N 2 2 393.531 3.811 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000563119670 893373061 /nfs/dbraw/zinc/37/30/61/893373061.db2.gz CKCIUDUDWGSWPT-OAQYLSRUSA-N 2 2 393.531 3.811 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H]([NH2+]CCCCn3cc[nH+]c3)CC[C@H]21 ZINC000876958397 893406444 /nfs/dbraw/zinc/40/64/44/893406444.db2.gz BMEYCBNPLQJGJV-CEXWTWQISA-N 2 2 376.545 3.821 20 0 GHADLP O=c1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)nc(-c2ccccc2)[nH]1 ZINC000459404686 893434570 /nfs/dbraw/zinc/43/45/70/893434570.db2.gz HXTCITPUIDGRIF-UHFFFAOYSA-N 2 2 377.492 3.738 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc2c(c1)CCCC2 ZINC000444791910 893531053 /nfs/dbraw/zinc/53/10/53/893531053.db2.gz MEBGMIAMSCULSZ-NPPFBWRTSA-N 2 2 394.563 3.744 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc2c(c1)CCCC2 ZINC000444791910 893531062 /nfs/dbraw/zinc/53/10/62/893531062.db2.gz MEBGMIAMSCULSZ-NPPFBWRTSA-N 2 2 394.563 3.744 20 0 GHADLP CCOc1cc(C[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cc(Cl)c1O ZINC000459439519 893552643 /nfs/dbraw/zinc/55/26/43/893552643.db2.gz UFPMSIHYZMPIAW-UHFFFAOYSA-N 2 2 375.900 3.906 20 0 GHADLP Cc1ccc(C[N@H+](CCc2c[nH+]cn2C)C[C@@H]2CCCO2)c(Br)c1 ZINC000459455398 893559657 /nfs/dbraw/zinc/55/96/57/893559657.db2.gz YZLCJGDAASHXFL-SFHVURJKSA-N 2 2 392.341 3.715 20 0 GHADLP Cc1ccc(C[N@@H+](CCc2c[nH+]cn2C)C[C@@H]2CCCO2)c(Br)c1 ZINC000459455398 893559670 /nfs/dbraw/zinc/55/96/70/893559670.db2.gz YZLCJGDAASHXFL-SFHVURJKSA-N 2 2 392.341 3.715 20 0 GHADLP CCOc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc(Br)c1O ZINC000459503842 893644148 /nfs/dbraw/zinc/64/41/48/893644148.db2.gz GHHFOSBZLKFORY-UHFFFAOYSA-N 2 2 383.330 3.614 20 0 GHADLP CCOc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc(Br)c1O ZINC000459503842 893644154 /nfs/dbraw/zinc/64/41/54/893644154.db2.gz GHHFOSBZLKFORY-UHFFFAOYSA-N 2 2 383.330 3.614 20 0 GHADLP [NH3+]Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)o1 ZINC000645414395 913883739 /nfs/dbraw/zinc/88/37/39/913883739.db2.gz NXSPOTRLDAYRDA-UHFFFAOYSA-N 2 2 399.491 3.564 20 0 GHADLP C[N@@H+]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCC1(C)C ZINC000879033888 894797490 /nfs/dbraw/zinc/79/74/90/894797490.db2.gz UXEQMMOJDAZZFZ-UHFFFAOYSA-N 2 2 379.508 3.550 20 0 GHADLP C[N@H+]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCC1(C)C ZINC000879033888 894797497 /nfs/dbraw/zinc/79/74/97/894797497.db2.gz UXEQMMOJDAZZFZ-UHFFFAOYSA-N 2 2 379.508 3.550 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)nc1C1CC1 ZINC000565391752 895587508 /nfs/dbraw/zinc/58/75/08/895587508.db2.gz XHGIBQGPZCRHQU-HRAATJIYSA-N 2 2 385.552 3.878 20 0 GHADLP O[C@@H](C[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F)C[N@@H+]1CCc2ccccc2C1 ZINC000565535093 895707659 /nfs/dbraw/zinc/70/76/59/895707659.db2.gz FEPYMBLGIITTQD-SFTDATJTSA-N 2 2 392.465 3.731 20 0 GHADLP O[C@@H](C[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F)C[N@H+]1CCc2ccccc2C1 ZINC000565535093 895707676 /nfs/dbraw/zinc/70/76/76/895707676.db2.gz FEPYMBLGIITTQD-SFTDATJTSA-N 2 2 392.465 3.731 20 0 GHADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000817581504 895751467 /nfs/dbraw/zinc/75/14/67/895751467.db2.gz SKYWNFUBCPLGDP-LJQANCHMSA-N 2 2 380.536 3.592 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(SC(F)F)cc3)CC2)CC1 ZINC000817658477 895794015 /nfs/dbraw/zinc/79/40/15/895794015.db2.gz DNJPIFKJKUEFNQ-UHFFFAOYSA-N 2 2 397.535 3.634 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(SC(F)F)cc3)CC2)CC1 ZINC000817658477 895794032 /nfs/dbraw/zinc/79/40/32/895794032.db2.gz DNJPIFKJKUEFNQ-UHFFFAOYSA-N 2 2 397.535 3.634 20 0 GHADLP COC(OC)c1ccc(F)c(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000818198131 896075043 /nfs/dbraw/zinc/07/50/43/896075043.db2.gz MRUXQKMGZLUGIX-MRXNPFEDSA-N 2 2 387.499 3.827 20 0 GHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000566106446 896112398 /nfs/dbraw/zinc/11/23/98/896112398.db2.gz QCCIPUNQVAAQKQ-KNQAVFIVSA-N 2 2 393.531 3.627 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000566135877 896134736 /nfs/dbraw/zinc/13/47/36/896134736.db2.gz KXXZGXOBIYOSKW-NRFANRHFSA-N 2 2 380.536 3.845 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1CC1CC[NH2+]CC1 ZINC000566287010 896217396 /nfs/dbraw/zinc/21/73/96/896217396.db2.gz SDSHJIDUMQJENT-UHFFFAOYSA-N 2 2 392.547 3.544 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000818945625 896287074 /nfs/dbraw/zinc/28/70/74/896287074.db2.gz MOZJFOIXORNDRC-IBGZPJMESA-N 2 2 375.394 3.773 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(OC(F)(F)F)cc1 ZINC000818946074 896288229 /nfs/dbraw/zinc/28/82/29/896288229.db2.gz XNKJNGNNXHWBEE-IBGZPJMESA-N 2 2 391.393 3.653 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C2 ZINC000566574023 896384611 /nfs/dbraw/zinc/38/46/11/896384611.db2.gz ODRQRANJTYCRJZ-BEFAXECRSA-N 2 2 388.943 3.711 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819182523 896452565 /nfs/dbraw/zinc/45/25/65/896452565.db2.gz FUPWBJNKJGLVOG-JLTOFOAXSA-N 2 2 377.891 3.723 20 0 GHADLP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566677993 896484231 /nfs/dbraw/zinc/48/42/31/896484231.db2.gz KVEZSZSZSAUYHS-HSZRJFAPSA-N 3 2 393.575 3.914 20 0 GHADLP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566677993 896484236 /nfs/dbraw/zinc/48/42/36/896484236.db2.gz KVEZSZSZSAUYHS-HSZRJFAPSA-N 3 2 393.575 3.914 20 0 GHADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000566791431 896575302 /nfs/dbraw/zinc/57/53/02/896575302.db2.gz BVLIDYNOZPQXRL-KRWDZBQOSA-N 2 2 384.499 3.673 20 0 GHADLP COC(=O)[C@@H](C)Oc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000566800592 896581792 /nfs/dbraw/zinc/58/17/92/896581792.db2.gz HSSIXHNDJHAWCG-LJQANCHMSA-N 2 2 396.531 3.723 20 0 GHADLP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000566800592 896581797 /nfs/dbraw/zinc/58/17/97/896581797.db2.gz HSSIXHNDJHAWCG-LJQANCHMSA-N 2 2 396.531 3.723 20 0 GHADLP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000566915379 896692567 /nfs/dbraw/zinc/69/25/67/896692567.db2.gz XJAOWCYBQOTHKH-QHAWAJNXSA-N 2 2 387.474 3.613 20 0 GHADLP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000566915379 896692576 /nfs/dbraw/zinc/69/25/76/896692576.db2.gz XJAOWCYBQOTHKH-QHAWAJNXSA-N 2 2 387.474 3.613 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cc2c(cc[nH]c2=O)o1 ZINC000883208342 897373018 /nfs/dbraw/zinc/37/30/18/897373018.db2.gz DPYAWKGQILZXCG-UHFFFAOYSA-N 2 2 379.464 3.837 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000567779744 897393725 /nfs/dbraw/zinc/39/37/25/897393725.db2.gz ZVKRZEBFSHSENK-QVKFZJNVSA-N 2 2 387.474 3.655 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000567779744 897393737 /nfs/dbraw/zinc/39/37/37/897393737.db2.gz ZVKRZEBFSHSENK-QVKFZJNVSA-N 2 2 387.474 3.655 20 0 GHADLP Cn1ccnc1C[N@H+](CCOc1cccc(C(C)(C)C)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000567899945 897477768 /nfs/dbraw/zinc/47/77/68/897477768.db2.gz XFSJJWCWQQUDHT-NRFANRHFSA-N 2 2 396.579 3.741 20 0 GHADLP Cn1ccnc1C[N@@H+](CCOc1cccc(C(C)(C)C)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000567899945 897477775 /nfs/dbraw/zinc/47/77/75/897477775.db2.gz XFSJJWCWQQUDHT-NRFANRHFSA-N 2 2 396.579 3.741 20 0 GHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000883386394 897549143 /nfs/dbraw/zinc/54/91/43/897549143.db2.gz FLQJLGKLBPLXDF-WMZHIEFXSA-N 3 2 378.520 3.916 20 0 GHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000883386745 897550417 /nfs/dbraw/zinc/55/04/17/897550417.db2.gz MDOVRUBDRAFUJH-UWJYYQICSA-N 2 2 376.460 3.932 20 0 GHADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388404 897551718 /nfs/dbraw/zinc/55/17/18/897551718.db2.gz UOYWNZGGNPISFJ-YLJYHZDGSA-N 2 2 379.460 3.527 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)C1 ZINC001136405318 897692810 /nfs/dbraw/zinc/69/28/10/897692810.db2.gz PLVXRFJTDDNDQF-WTGUMLROSA-N 2 2 386.584 3.925 20 0 GHADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000569158608 898376958 /nfs/dbraw/zinc/37/69/58/898376958.db2.gz XUYVYTBTDBBPJF-HXUWFJFHSA-N 2 2 383.492 3.659 20 0 GHADLP CCOc1cc(C[NH+]2CCC([NH3+])CC2)ccc1OCCOc1cccc(C)c1 ZINC000569222011 898443534 /nfs/dbraw/zinc/44/35/34/898443534.db2.gz HVJJWRIGOMJFIB-UHFFFAOYSA-N 2 2 384.520 3.775 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cncc(Br)c1 ZINC000569259592 898479000 /nfs/dbraw/zinc/47/90/00/898479000.db2.gz GIBSKGLCFWRVID-HNNXBMFYSA-N 2 2 390.325 3.527 20 0 GHADLP Cc1ccccc1[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000112205536 898857050 /nfs/dbraw/zinc/85/70/50/898857050.db2.gz ZUUGZEAVPQFGRE-QFIPXVFZSA-N 2 2 386.584 3.550 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCc3nc4ccccc4[nH]3)CC2)cc1 ZINC000156198353 899517341 /nfs/dbraw/zinc/51/73/41/899517341.db2.gz PUJYEQZKPHXFEY-UHFFFAOYSA-N 2 2 377.536 3.820 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(Br)c1 ZINC000570858903 899646144 /nfs/dbraw/zinc/64/61/44/899646144.db2.gz GASJTHDGHMMAGB-LSDHHAIUSA-N 2 2 385.346 3.609 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(Br)c1 ZINC000570858903 899646150 /nfs/dbraw/zinc/64/61/50/899646150.db2.gz GASJTHDGHMMAGB-LSDHHAIUSA-N 2 2 385.346 3.609 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1nc2ccccc2s1 ZINC000333023621 899900053 /nfs/dbraw/zinc/90/00/53/899900053.db2.gz JZTORXAIOSECHJ-UHFFFAOYSA-N 2 2 395.532 3.647 20 0 GHADLP Brc1ccc2c(C3C[NH+](Cc4ccc5c(c4)COC5)C3)[nH+]cn2c1 ZINC001137028248 900132325 /nfs/dbraw/zinc/13/23/25/900132325.db2.gz GQWPQZSLFBFDQD-UHFFFAOYSA-N 2 2 384.277 3.726 20 0 GHADLP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1cccc(Cn3cc[nH+]c3C(C)C)c1)C2 ZINC000289943546 914441218 /nfs/dbraw/zinc/44/12/18/914441218.db2.gz ULNBGOSRRRBLPZ-SFHVURJKSA-N 2 2 377.492 3.761 20 0 GHADLP CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cccc(OCC[NH+](C)C)c1 ZINC001212805874 900763657 /nfs/dbraw/zinc/76/36/57/900763657.db2.gz AIIKHYOXTZWFGW-UHFFFAOYSA-N 2 2 381.480 3.522 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NC3CC[NH+](C4CCCCC4)CC3)[nH+]c2)CC1 ZINC000543768614 914489844 /nfs/dbraw/zinc/48/98/44/914489844.db2.gz LSDLNDPJXBWXQC-UHFFFAOYSA-N 3 2 385.600 3.821 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000574601641 900942474 /nfs/dbraw/zinc/94/24/74/900942474.db2.gz GBIYMWRWZBPJFW-NZQKXSOJSA-N 3 2 396.579 3.555 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000574601641 900942479 /nfs/dbraw/zinc/94/24/79/900942479.db2.gz GBIYMWRWZBPJFW-NZQKXSOJSA-N 3 2 396.579 3.555 20 0 GHADLP CCOc1c(F)cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1F ZINC001144028089 900952415 /nfs/dbraw/zinc/95/24/15/900952415.db2.gz HBBLDJDTZHDAFO-MOPGFXCFSA-N 2 2 387.474 3.712 20 0 GHADLP CCOc1c(F)cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1F ZINC001144028089 900952422 /nfs/dbraw/zinc/95/24/22/900952422.db2.gz HBBLDJDTZHDAFO-MOPGFXCFSA-N 2 2 387.474 3.712 20 0 GHADLP CCOc1c(F)cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1F ZINC001144028089 900952437 /nfs/dbraw/zinc/95/24/37/900952437.db2.gz HBBLDJDTZHDAFO-MOPGFXCFSA-N 2 2 387.474 3.712 20 0 GHADLP CCOc1c(F)cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1F ZINC001144028089 900952446 /nfs/dbraw/zinc/95/24/46/900952446.db2.gz HBBLDJDTZHDAFO-MOPGFXCFSA-N 2 2 387.474 3.712 20 0 GHADLP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc(-c4c[nH]cn4)cc3)CC2)[nH+]c1C ZINC000886662857 901213368 /nfs/dbraw/zinc/21/33/68/901213368.db2.gz NQQPKZNSSIUEBH-INIZCTEOSA-N 2 2 392.507 3.623 20 0 GHADLP COCC[NH2+]C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000575410590 901225592 /nfs/dbraw/zinc/22/55/92/901225592.db2.gz XGTNELRGYALDFB-UHFFFAOYSA-N 2 2 390.531 3.740 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OCc1cccnc1 ZINC000093597917 901555546 /nfs/dbraw/zinc/55/55/46/901555546.db2.gz ZBIHGGNOZDVPSC-OAQYLSRUSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OCc1cccnc1 ZINC000093597917 901555552 /nfs/dbraw/zinc/55/55/52/901555552.db2.gz ZBIHGGNOZDVPSC-OAQYLSRUSA-N 2 2 381.520 3.587 20 0 GHADLP CC[NH2+]Cc1cccc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000576210576 901818311 /nfs/dbraw/zinc/81/83/11/901818311.db2.gz ZIZHDQDVQRDBIU-SFHVURJKSA-N 2 2 381.524 3.740 20 0 GHADLP Cc1nc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)sc1C ZINC001144367662 901928576 /nfs/dbraw/zinc/92/85/76/901928576.db2.gz SZRSNMVDICZVSL-UHFFFAOYSA-N 2 2 385.577 3.935 20 0 GHADLP Cc1nc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)sc1C ZINC001144367662 901928582 /nfs/dbraw/zinc/92/85/82/901928582.db2.gz SZRSNMVDICZVSL-UHFFFAOYSA-N 2 2 385.577 3.935 20 0 GHADLP Cc1cn2cc(NC(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)ccc2[nH+]1 ZINC000577105006 902504273 /nfs/dbraw/zinc/50/42/73/902504273.db2.gz AJNYEBGALPXZOW-PMACEKPBSA-N 2 2 389.503 3.629 20 0 GHADLP Cc1cn2cc(NC(=O)N3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc2[nH+]1 ZINC000577105006 902504277 /nfs/dbraw/zinc/50/42/77/902504277.db2.gz AJNYEBGALPXZOW-PMACEKPBSA-N 2 2 389.503 3.629 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000779007596 902726593 /nfs/dbraw/zinc/72/65/93/902726593.db2.gz GUDSKDFLUBYZLH-YLJYHZDGSA-N 2 2 384.524 3.667 20 0 GHADLP CC(C)(CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C[NH+]1CCCC1 ZINC000577809882 903225746 /nfs/dbraw/zinc/22/57/46/903225746.db2.gz BHYOEBNWCWTRAS-LEWJYISDSA-N 2 2 395.551 3.533 20 0 GHADLP Brc1ccn2cc(C[NH2+]Cc3cccc(-n4cc[nH+]c4)c3)nc2c1 ZINC000578053596 903479451 /nfs/dbraw/zinc/47/94/51/903479451.db2.gz QRBHCZPMLJINMD-UHFFFAOYSA-N 2 2 382.265 3.572 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]CCCn2cc[nH+]c2C)cs1)c1ccc(C)cc1 ZINC000264958115 903508472 /nfs/dbraw/zinc/50/84/72/903508472.db2.gz NEOVMMISBGJSEM-UHFFFAOYSA-N 2 2 383.521 3.821 20 0 GHADLP FC(F)(F)c1c[nH]c2[nH+]ccc(NCc3ccccc3N3CC[NH2+]CC3)c12 ZINC001171283464 903589663 /nfs/dbraw/zinc/58/96/63/903589663.db2.gz FYGVKIWHMNVDRW-UHFFFAOYSA-N 2 2 375.398 3.603 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(Cl)cc1 ZINC001147103969 903698260 /nfs/dbraw/zinc/69/82/60/903698260.db2.gz PVLKGQAVYVRCOC-NHCUHLMSSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(Cl)cc1 ZINC001147103969 903698268 /nfs/dbraw/zinc/69/82/68/903698268.db2.gz PVLKGQAVYVRCOC-NHCUHLMSSA-N 2 2 385.939 3.724 20 0 GHADLP Brc1cc(Br)cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000578430109 903836799 /nfs/dbraw/zinc/83/67/99/903836799.db2.gz LPNDHJJVNKZZEW-CYBMUJFWSA-N 2 2 385.103 3.513 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCN1C(=O)OC(C)(C)C ZINC000775047846 914760153 /nfs/dbraw/zinc/76/01/53/914760153.db2.gz NMIOSXZHQCKXCL-HUUCEWRRSA-N 2 2 376.526 3.811 20 0 GHADLP Cc1c(Br)cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000578775348 904110655 /nfs/dbraw/zinc/11/06/55/904110655.db2.gz RZDCEFBTRZKLLJ-GFCCVEGCSA-N 2 2 399.130 3.821 20 0 GHADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)c1ccc(Br)cc1 ZINC001171344289 904321029 /nfs/dbraw/zinc/32/10/29/904321029.db2.gz BZIDSQMMTSJYOQ-CRAIPNDOSA-N 2 2 381.264 3.874 20 0 GHADLP COC(=O)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1c1ccc(F)cc1F ZINC001171370827 904371427 /nfs/dbraw/zinc/37/14/27/904371427.db2.gz MSKNRKORTWSHRS-VQTJNVASSA-N 2 2 397.425 3.539 20 0 GHADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1c1ccc(F)cc1F ZINC001171370827 904371442 /nfs/dbraw/zinc/37/14/42/904371442.db2.gz MSKNRKORTWSHRS-VQTJNVASSA-N 2 2 397.425 3.539 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646756148 914818698 /nfs/dbraw/zinc/81/86/98/914818698.db2.gz CULGQHNISRIJGH-HXUWFJFHSA-N 2 2 392.478 3.507 20 0 GHADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000579341703 904529841 /nfs/dbraw/zinc/52/98/41/904529841.db2.gz LTMKZMDVTONPTQ-UWJYYQICSA-N 2 2 387.955 3.988 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OC(=O)c1cccs1 ZINC001137258437 904785298 /nfs/dbraw/zinc/78/52/98/904785298.db2.gz LUWYTXSUYXGPBW-NRFANRHFSA-N 2 2 386.517 3.504 20 0 GHADLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OC(=O)c1cccs1 ZINC001137258437 904785311 /nfs/dbraw/zinc/78/53/11/904785311.db2.gz LUWYTXSUYXGPBW-NRFANRHFSA-N 2 2 386.517 3.504 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1OC(=O)c1cccs1 ZINC001137258437 904785318 /nfs/dbraw/zinc/78/53/18/904785318.db2.gz LUWYTXSUYXGPBW-NRFANRHFSA-N 2 2 386.517 3.504 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1OC(=O)c1cccs1 ZINC001137258437 904785325 /nfs/dbraw/zinc/78/53/25/904785325.db2.gz LUWYTXSUYXGPBW-NRFANRHFSA-N 2 2 386.517 3.504 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1Cc3ccccc3C[C@@H]1C[NH3+])C2 ZINC001172091198 905311088 /nfs/dbraw/zinc/31/10/88/905311088.db2.gz SOJIRIPGTKXHNH-IVAOSVALSA-N 2 2 385.552 3.693 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1Cc3ccccc3C[C@@H]1C[NH3+])C2 ZINC001172091198 905311105 /nfs/dbraw/zinc/31/11/05/905311105.db2.gz SOJIRIPGTKXHNH-IVAOSVALSA-N 2 2 385.552 3.693 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1Cc3ccccc3C[C@@H]1C[NH3+])C2 ZINC001172091200 905312632 /nfs/dbraw/zinc/31/26/32/905312632.db2.gz SOJIRIPGTKXHNH-PLACYPQZSA-N 2 2 385.552 3.693 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1Cc3ccccc3C[C@@H]1C[NH3+])C2 ZINC001172091200 905312648 /nfs/dbraw/zinc/31/26/48/905312648.db2.gz SOJIRIPGTKXHNH-PLACYPQZSA-N 2 2 385.552 3.693 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(C(=O)OC(C)(C)C)C3=CCCC[C@H]31)C2 ZINC001172132023 905344508 /nfs/dbraw/zinc/34/45/08/905344508.db2.gz JDJFYZZDGCKFOM-YDZRNGNQSA-N 2 2 375.557 3.991 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(C(=O)OC(C)(C)C)C3=CCCC[C@H]31)C2 ZINC001172132023 905344525 /nfs/dbraw/zinc/34/45/25/905344525.db2.gz JDJFYZZDGCKFOM-YDZRNGNQSA-N 2 2 375.557 3.991 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCN(C(=O)OC(C)(C)C)C3=CCCC[C@H]31)C2 ZINC001172132023 905344537 /nfs/dbraw/zinc/34/45/37/905344537.db2.gz JDJFYZZDGCKFOM-YDZRNGNQSA-N 2 2 375.557 3.991 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCN(C(=O)OC(C)(C)C)C3=CCCC[C@H]31)C2 ZINC001172132023 905344543 /nfs/dbraw/zinc/34/45/43/905344543.db2.gz JDJFYZZDGCKFOM-YDZRNGNQSA-N 2 2 375.557 3.991 20 0 GHADLP Cc1ccc(C(F)(F)F)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000174920460 905389999 /nfs/dbraw/zinc/38/99/99/905389999.db2.gz UZRPLSXZAVQDRD-UHFFFAOYSA-N 2 2 386.462 3.504 20 0 GHADLP Cc1ccc(C(F)(F)F)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000174920460 905390017 /nfs/dbraw/zinc/39/00/17/905390017.db2.gz UZRPLSXZAVQDRD-UHFFFAOYSA-N 2 2 386.462 3.504 20 0 GHADLP CCCCCC[C@H](CCC)[N@@H+]1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001172382782 905542353 /nfs/dbraw/zinc/54/23/53/905542353.db2.gz COKHCNXSKKFPRE-FQEVSTJZSA-N 2 2 385.556 3.833 20 0 GHADLP CCCCCC[C@H](CCC)[N@H+]1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001172382782 905542369 /nfs/dbraw/zinc/54/23/69/905542369.db2.gz COKHCNXSKKFPRE-FQEVSTJZSA-N 2 2 385.556 3.833 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)CC[C@H]2C1 ZINC001172520934 905581312 /nfs/dbraw/zinc/58/13/12/905581312.db2.gz RPOYAUDTZLTASZ-KJJMTIBFSA-N 2 2 381.564 3.534 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@H]([NH2+][C@H]3CC[N@H+](C4CCC4)C3)CC[C@H]2C1 ZINC001172520934 905581322 /nfs/dbraw/zinc/58/13/22/905581322.db2.gz RPOYAUDTZLTASZ-KJJMTIBFSA-N 2 2 381.564 3.534 20 0 GHADLP CC[C@H]1CC[C@H](C2CCC([NH+]3CCN(CC[NH+]4CCOCC4)CC3)CC2)CC1 ZINC001172585882 905684451 /nfs/dbraw/zinc/68/44/51/905684451.db2.gz CQNWBWLSYRFDJN-NHSJRLTNSA-N 2 2 391.644 3.711 20 0 GHADLP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)CC1 ZINC001172777030 905817821 /nfs/dbraw/zinc/81/78/21/905817821.db2.gz HZDXDEVYQVWXME-YLJYHZDGSA-N 2 2 376.516 3.810 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3COC4(CCCCCC4)O3)CC2)cc1 ZINC000777314219 905979783 /nfs/dbraw/zinc/97/97/83/905979783.db2.gz PEBOKKVAGHKXMK-QFIPXVFZSA-N 2 2 387.568 3.777 20 0 GHADLP COc1ccc([C@H]([NH3+])[C@@H]([NH2+][C@@H]2CCC[C@@H](OC)C2)c2ccc(OC)cc2)cc1 ZINC001172924441 905995046 /nfs/dbraw/zinc/99/50/46/905995046.db2.gz UVTJBZFVGZPNMN-QQUTXWOLSA-N 2 2 384.520 3.992 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3cc(C[NH+](C)C)ccc3C)cn2c1 ZINC000177332365 906106734 /nfs/dbraw/zinc/10/67/34/906106734.db2.gz YDZLMRATRHGVNX-UHFFFAOYSA-N 2 2 382.533 3.885 20 0 GHADLP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@@H+]1C1CCC2(CCCCC2)CC1 ZINC001173119517 906206377 /nfs/dbraw/zinc/20/63/77/906206377.db2.gz QYMPCXUKSWWSAJ-FQEVSTJZSA-N 2 2 399.627 3.900 20 0 GHADLP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001173119517 906206390 /nfs/dbraw/zinc/20/63/90/906206390.db2.gz QYMPCXUKSWWSAJ-FQEVSTJZSA-N 2 2 399.627 3.900 20 0 GHADLP Brc1ccc2c(C3C[NH+]([C@H]4CCc5ncsc5C4)C3)[nH+]cn2c1 ZINC001173141771 906229368 /nfs/dbraw/zinc/22/93/68/906229368.db2.gz JOVWDJGYLMHVOT-ZDUSSCGKSA-N 2 2 389.322 3.510 20 0 GHADLP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@@H+]1[C@@H]1CCCC2(CCCCC2)C1 ZINC001173346551 906385659 /nfs/dbraw/zinc/38/56/59/906385659.db2.gz YYIQBAINNQQTIL-LEWJYISDSA-N 2 2 399.627 3.900 20 0 GHADLP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@H+]1[C@@H]1CCCC2(CCCCC2)C1 ZINC001173346551 906385673 /nfs/dbraw/zinc/38/56/73/906385673.db2.gz YYIQBAINNQQTIL-LEWJYISDSA-N 2 2 399.627 3.900 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001173660420 906595969 /nfs/dbraw/zinc/59/59/69/906595969.db2.gz JQHJTQPJCUYSGM-PXNSSMCTSA-N 2 2 376.516 3.844 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001173660420 906595984 /nfs/dbraw/zinc/59/59/84/906595984.db2.gz JQHJTQPJCUYSGM-PXNSSMCTSA-N 2 2 376.516 3.844 20 0 GHADLP C[C@@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(Cl)cc1 ZINC000179883239 906623987 /nfs/dbraw/zinc/62/39/87/906623987.db2.gz DVDIJPZAHQTKDM-QGZVFWFLSA-N 2 2 391.987 3.584 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)C1 ZINC001173649259 906634735 /nfs/dbraw/zinc/63/47/35/906634735.db2.gz GLNVJJKMSBCHAH-PXNSSMCTSA-N 2 2 376.516 3.810 20 0 GHADLP [NH3+]CC[N@H+](Cc1ccccc1)C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173761688 906683661 /nfs/dbraw/zinc/68/36/61/906683661.db2.gz IPZHORSYGRCUPZ-UHFFFAOYSA-N 2 2 389.902 3.545 20 0 GHADLP [NH3+]CC[N@@H+](Cc1ccccc1)C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173761688 906683670 /nfs/dbraw/zinc/68/36/70/906683670.db2.gz IPZHORSYGRCUPZ-UHFFFAOYSA-N 2 2 389.902 3.545 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1nc2ccc(Cl)cc2n1C ZINC000180193363 906712187 /nfs/dbraw/zinc/71/21/87/906712187.db2.gz ZCNJWRCDHGGSNE-WNYOCNMUSA-N 2 2 390.959 3.645 20 0 GHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629541649 906862240 /nfs/dbraw/zinc/86/22/40/906862240.db2.gz SZNYLHYEJGEWRP-WZRBSPASSA-N 2 2 377.838 3.806 20 0 GHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629657207 906934884 /nfs/dbraw/zinc/93/48/84/906934884.db2.gz UXZFBLLDDBPQPL-AZUAARDMSA-N 2 2 394.485 3.816 20 0 GHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629657207 906934890 /nfs/dbraw/zinc/93/48/90/906934890.db2.gz UXZFBLLDDBPQPL-AZUAARDMSA-N 2 2 394.485 3.816 20 0 GHADLP Cc1cccnc1[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(C)C ZINC000631074174 907585409 /nfs/dbraw/zinc/58/54/09/907585409.db2.gz SYQKXWUSQRLAAP-QFIPXVFZSA-N 2 2 383.536 3.588 20 0 GHADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001175770431 907735778 /nfs/dbraw/zinc/73/57/78/907735778.db2.gz ZTPUWNMSGFSSFF-KRWDZBQOSA-N 2 2 395.938 3.999 20 0 GHADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001175770431 907735796 /nfs/dbraw/zinc/73/57/96/907735796.db2.gz ZTPUWNMSGFSSFF-KRWDZBQOSA-N 2 2 395.938 3.999 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185729779 907825641 /nfs/dbraw/zinc/82/56/41/907825641.db2.gz USKFWOMHOWZTNL-GJZGRUSLSA-N 2 2 388.537 3.584 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185729779 907825658 /nfs/dbraw/zinc/82/56/58/907825658.db2.gz USKFWOMHOWZTNL-GJZGRUSLSA-N 2 2 388.537 3.584 20 0 GHADLP CCOc1ccc(-c2nc(C[NH+]3CCC(O)(C[NH+]4CCCCC4)CC3)co2)cc1 ZINC001176879300 908286353 /nfs/dbraw/zinc/28/63/53/908286353.db2.gz HXCXKGQHZXTQIH-UHFFFAOYSA-N 2 2 399.535 3.553 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCc3ccc(C(F)F)cc3)CC2)CC1 ZINC000633458690 908326017 /nfs/dbraw/zinc/32/60/17/908326017.db2.gz KRQTWGKTZRMFAQ-UHFFFAOYSA-N 2 2 393.522 3.575 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCc3ccc(C(F)F)cc3)CC2)CC1 ZINC000633458690 908326021 /nfs/dbraw/zinc/32/60/21/908326021.db2.gz KRQTWGKTZRMFAQ-UHFFFAOYSA-N 2 2 393.522 3.575 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc4c(c3)C[C@@H](C)O4)CC2)c1 ZINC001177161915 908440611 /nfs/dbraw/zinc/44/06/11/908440611.db2.gz HDCXQDDBOVDNJE-HXUWFJFHSA-N 2 2 379.548 3.620 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1cccc(F)c1F ZINC001178238858 908973476 /nfs/dbraw/zinc/97/34/76/908973476.db2.gz UBLBKGVBAAQEQA-MRXNPFEDSA-N 2 2 376.447 3.527 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000635188132 909177159 /nfs/dbraw/zinc/17/71/59/909177159.db2.gz GMSNFAWWDVYQDV-IAGOWNOFSA-N 2 2 382.430 3.576 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635575152 909292322 /nfs/dbraw/zinc/29/23/22/909292322.db2.gz PZCSFWGPFGSTTF-CRAIPNDOSA-N 2 2 394.441 3.718 20 0 GHADLP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001180051150 909915716 /nfs/dbraw/zinc/91/57/16/909915716.db2.gz BHARSLDJFISHBJ-HYBUGGRVSA-N 2 2 380.532 3.776 20 0 GHADLP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001180051150 909915718 /nfs/dbraw/zinc/91/57/18/909915718.db2.gz BHARSLDJFISHBJ-HYBUGGRVSA-N 2 2 380.532 3.776 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)cn1 ZINC000268822987 910034623 /nfs/dbraw/zinc/03/46/23/910034623.db2.gz YFUVOYSRWCJFEE-INIZCTEOSA-N 2 2 392.507 3.956 20 0 GHADLP C[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268917530 910068303 /nfs/dbraw/zinc/06/83/03/910068303.db2.gz VFWYPGSULKDWBO-QGZVFWFLSA-N 2 2 378.476 3.676 20 0 GHADLP CO[C@@H](C[N@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)[C@@H]1CCOC1 ZINC000639167908 910337353 /nfs/dbraw/zinc/33/73/53/910337353.db2.gz MLZQZOSIYRUMLF-UZLBHIALSA-N 2 2 395.906 3.619 20 0 GHADLP CO[C@@H](C[N@@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)[C@@H]1CCOC1 ZINC000639167908 910337362 /nfs/dbraw/zinc/33/73/62/910337362.db2.gz MLZQZOSIYRUMLF-UZLBHIALSA-N 2 2 395.906 3.619 20 0 GHADLP Cn1c2ccccc2cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1=O ZINC000639201589 910348161 /nfs/dbraw/zinc/34/81/61/910348161.db2.gz XAPMBOBYEDMRES-URXFXBBRSA-N 2 2 387.527 3.996 20 0 GHADLP Cn1c2ccccc2cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1=O ZINC000639201589 910348174 /nfs/dbraw/zinc/34/81/74/910348174.db2.gz XAPMBOBYEDMRES-URXFXBBRSA-N 2 2 387.527 3.996 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000774458058 911764695 /nfs/dbraw/zinc/76/46/95/911764695.db2.gz YGOYHTPAAGFXNP-LJQANCHMSA-N 2 2 388.556 3.724 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC1CC1)c1ccc(Cl)cc1Cl ZINC001182559604 911869569 /nfs/dbraw/zinc/86/95/69/911869569.db2.gz SOAAHBMMSHKIRL-ZWKOTPCHSA-N 2 2 384.351 3.587 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1CC1CC1)c1ccc(Cl)cc1Cl ZINC001182559604 911869578 /nfs/dbraw/zinc/86/95/78/911869578.db2.gz SOAAHBMMSHKIRL-ZWKOTPCHSA-N 2 2 384.351 3.587 20 0 GHADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001182619475 911930569 /nfs/dbraw/zinc/93/05/69/911930569.db2.gz SFOPRFKDIFKPOD-DLBZAZTESA-N 2 2 386.462 3.538 20 0 GHADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001182619475 911930582 /nfs/dbraw/zinc/93/05/82/911930582.db2.gz SFOPRFKDIFKPOD-DLBZAZTESA-N 2 2 386.462 3.538 20 0 GHADLP COc1ccccc1[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[NH+]1CCCC1 ZINC000291048944 914940236 /nfs/dbraw/zinc/94/02/36/914940236.db2.gz HXQHIZHMURUMNV-IBGZPJMESA-N 2 2 399.501 3.839 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000291090694 914968950 /nfs/dbraw/zinc/96/89/50/914968950.db2.gz HUUKPNFBRLQJOJ-UHFFFAOYSA-N 3 2 387.490 3.524 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc2n(n1)CCCC2 ZINC000647288198 915137219 /nfs/dbraw/zinc/13/72/19/915137219.db2.gz RYTQKVXGTQAPEM-IRXDYDNUSA-N 2 2 385.531 3.522 20 0 GHADLP Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000647490422 915302749 /nfs/dbraw/zinc/30/27/49/915302749.db2.gz XAFUMEALBLRXPQ-QGZVFWFLSA-N 2 2 380.467 3.893 20 0 GHADLP Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000647490422 915302768 /nfs/dbraw/zinc/30/27/68/915302768.db2.gz XAFUMEALBLRXPQ-QGZVFWFLSA-N 2 2 380.467 3.893 20 0 GHADLP CC[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000647936415 915442559 /nfs/dbraw/zinc/44/25/59/915442559.db2.gz DGKNVGGVNXOQCH-QGCDCVKKSA-N 2 2 385.939 3.605 20 0 GHADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000647936415 915442569 /nfs/dbraw/zinc/44/25/69/915442569.db2.gz DGKNVGGVNXOQCH-QGCDCVKKSA-N 2 2 385.939 3.605 20 0 GHADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000647940092 915444224 /nfs/dbraw/zinc/44/42/24/915444224.db2.gz MDQHCVFMSFGKDD-JUXOCIIHSA-N 2 2 381.520 3.652 20 0 GHADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000647940092 915444228 /nfs/dbraw/zinc/44/42/28/915444228.db2.gz MDQHCVFMSFGKDD-JUXOCIIHSA-N 2 2 381.520 3.652 20 0 GHADLP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Cl)c1Cl ZINC001275652187 915655257 /nfs/dbraw/zinc/65/52/57/915655257.db2.gz ABRNIZCWFOKUSS-LJQANCHMSA-N 2 2 384.351 3.512 20 0 GHADLP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Cl)c1Cl ZINC001275652187 915655273 /nfs/dbraw/zinc/65/52/73/915655273.db2.gz ABRNIZCWFOKUSS-LJQANCHMSA-N 2 2 384.351 3.512 20 0 GHADLP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000366887625 921799774 /nfs/dbraw/zinc/79/97/74/921799774.db2.gz WJRQHLGEKVGVCF-IBGZPJMESA-N 2 2 394.519 3.694 20 0 GHADLP CSCc1cnc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)s1 ZINC000293237939 916077179 /nfs/dbraw/zinc/07/71/79/916077179.db2.gz LBCHXNFRDPQIOD-UHFFFAOYSA-N 2 2 377.583 3.544 20 0 GHADLP CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H](COC)Cc1ccccc1 ZINC001191455402 918025126 /nfs/dbraw/zinc/02/51/26/918025126.db2.gz ZYICCYBPFLDJNY-XMMPIXPASA-N 2 2 382.548 3.598 20 0 GHADLP CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H](COC)Cc1ccccc1 ZINC001191455402 918025133 /nfs/dbraw/zinc/02/51/33/918025133.db2.gz ZYICCYBPFLDJNY-XMMPIXPASA-N 2 2 382.548 3.598 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000653036411 918095573 /nfs/dbraw/zinc/09/55/73/918095573.db2.gz ADHRFULADJNUJL-OAQYLSRUSA-N 2 2 390.531 3.959 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000653036411 918095585 /nfs/dbraw/zinc/09/55/85/918095585.db2.gz ADHRFULADJNUJL-OAQYLSRUSA-N 2 2 390.531 3.959 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000363786634 918859192 /nfs/dbraw/zinc/85/91/92/918859192.db2.gz RMRFQMXLZJLSSZ-HXUWFJFHSA-N 2 2 380.536 3.501 20 0 GHADLP Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000298473071 920575537 /nfs/dbraw/zinc/57/55/37/920575537.db2.gz PBHQYRSTEHBTQE-UHFFFAOYSA-N 2 2 378.505 3.761 20 0 GHADLP C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000298551221 920655991 /nfs/dbraw/zinc/65/59/91/920655991.db2.gz UTBFFDIYMWQCFX-QGZVFWFLSA-N 2 2 380.467 3.526 20 0 GHADLP C[C@@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000298836460 920975009 /nfs/dbraw/zinc/97/50/09/920975009.db2.gz HRFANEICWIJDQD-MRXNPFEDSA-N 2 2 380.517 3.559 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000367122093 921931114 /nfs/dbraw/zinc/93/11/14/921931114.db2.gz WTIOLDBFUSNIKM-RTWAWAEBSA-N 2 2 379.504 3.822 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000367620892 922233792 /nfs/dbraw/zinc/23/37/92/922233792.db2.gz YWNZWZPSTUYMHT-INIZCTEOSA-N 2 2 388.556 3.908 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902766007 922483565 /nfs/dbraw/zinc/48/35/65/922483565.db2.gz WIDZIXGJEULNHE-VGOFRKELSA-N 2 2 390.487 3.841 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(C(F)(F)F)s1 ZINC000902986541 922685801 /nfs/dbraw/zinc/68/58/01/922685801.db2.gz CACGCDCXUYWPDD-RLAWYHOSSA-N 2 2 389.487 3.501 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(C(F)(F)F)s1 ZINC000902986541 922685821 /nfs/dbraw/zinc/68/58/21/922685821.db2.gz CACGCDCXUYWPDD-RLAWYHOSSA-N 2 2 389.487 3.501 20 0 GHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1C ZINC000676907742 924142674 /nfs/dbraw/zinc/14/26/74/924142674.db2.gz MQSOLXGXYIDSQO-DEOSSOPVSA-N 2 2 392.547 3.558 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C[N@@H+]1Cc1ccccc1 ZINC000677114431 924243596 /nfs/dbraw/zinc/24/35/96/924243596.db2.gz KJHOVRCUPDTYHV-CEMLEFRQSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C[N@H+]1Cc1ccccc1 ZINC000677114431 924243616 /nfs/dbraw/zinc/24/36/16/924243616.db2.gz KJHOVRCUPDTYHV-CEMLEFRQSA-N 2 2 395.551 3.530 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cn(-c3cccc(Cl)c3Cl)nn1)CCC2 ZINC000677244491 924296950 /nfs/dbraw/zinc/29/69/50/924296950.db2.gz BXVBWJREGSQKGL-ZDUSSCGKSA-N 2 2 391.306 3.746 20 0 GHADLP Brc1cccc2c(NC3CC[NH+]([C@H]4CCOC4)CC3)cc[nH+]c12 ZINC000677650104 924439338 /nfs/dbraw/zinc/43/93/38/924439338.db2.gz PUVYKKOXYRKODV-AWEZNQCLSA-N 2 2 376.298 3.663 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000677803872 924504297 /nfs/dbraw/zinc/50/42/97/924504297.db2.gz AHNYWTKOXJFNIS-HXUWFJFHSA-N 2 2 381.520 3.527 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C[N@H+]1Cc1ccccc1 ZINC000677803872 924504307 /nfs/dbraw/zinc/50/43/07/924504307.db2.gz AHNYWTKOXJFNIS-HXUWFJFHSA-N 2 2 381.520 3.527 20 0 GHADLP COc1cccc([C@H](C)N2CC[NH+](Cc3ccc(OCC[NH+](C)C)cc3)CC2)c1 ZINC000678236564 924680834 /nfs/dbraw/zinc/68/08/34/924680834.db2.gz GLEWEHMWSYWSQK-FQEVSTJZSA-N 2 2 397.563 3.514 20 0 GHADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccc(-n3ccnn3)cc2)CC1 ZINC001137369017 925085788 /nfs/dbraw/zinc/08/57/88/925085788.db2.gz DDPIXMLPFYTBJB-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccc(-n3ccnn3)cc2)CC1 ZINC001137369017 925085796 /nfs/dbraw/zinc/08/57/96/925085796.db2.gz DDPIXMLPFYTBJB-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP CC(C)(C)[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc2ccccc2o1 ZINC000679387142 925119144 /nfs/dbraw/zinc/11/91/44/925119144.db2.gz YBEXFPQKRCJYLS-DENIHFKCSA-N 2 2 385.552 3.516 20 0 GHADLP CC(C)C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372171589 925214147 /nfs/dbraw/zinc/21/41/47/925214147.db2.gz CCSOZAHUNUNCMT-FCHUYYIVSA-N 2 2 386.584 3.584 20 0 GHADLP CC(C)C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372171589 925214158 /nfs/dbraw/zinc/21/41/58/925214158.db2.gz CCSOZAHUNUNCMT-FCHUYYIVSA-N 2 2 386.584 3.584 20 0 GHADLP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)oc21 ZINC000680405686 925469417 /nfs/dbraw/zinc/46/94/17/925469417.db2.gz CBYHNRBEXCMZCL-YLJYHZDGSA-N 2 2 382.504 3.975 20 0 GHADLP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)oc21 ZINC000680405686 925469422 /nfs/dbraw/zinc/46/94/22/925469422.db2.gz CBYHNRBEXCMZCL-YLJYHZDGSA-N 2 2 382.504 3.975 20 0 GHADLP CN(C(=O)N[C@H](c1ccccc1)C(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681211269 925762515 /nfs/dbraw/zinc/76/25/15/925762515.db2.gz RZMPVLWLWVBRDJ-LEWJYISDSA-N 2 2 386.584 3.584 20 0 GHADLP CN(C(=O)N[C@H](c1ccccc1)C(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681211269 925762517 /nfs/dbraw/zinc/76/25/17/925762517.db2.gz RZMPVLWLWVBRDJ-LEWJYISDSA-N 2 2 386.584 3.584 20 0 GHADLP c1sc(CCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)nc1-c1ccncc1 ZINC000373144135 925887911 /nfs/dbraw/zinc/88/79/11/925887911.db2.gz ZGLCBZCVQDROHA-UHFFFAOYSA-N 2 2 379.533 3.791 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000373550910 926241125 /nfs/dbraw/zinc/24/11/25/926241125.db2.gz XVOJTIRAQBGLCV-YKSBVNFPSA-N 2 2 378.564 3.798 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000373550910 926241137 /nfs/dbraw/zinc/24/11/37/926241137.db2.gz XVOJTIRAQBGLCV-YKSBVNFPSA-N 2 2 378.564 3.798 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000411424886 926378692 /nfs/dbraw/zinc/37/86/92/926378692.db2.gz LFKKDPIZKHEPTC-HNNXBMFYSA-N 2 2 394.441 3.722 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000411424886 926378703 /nfs/dbraw/zinc/37/87/03/926378703.db2.gz LFKKDPIZKHEPTC-HNNXBMFYSA-N 2 2 394.441 3.722 20 0 GHADLP CCOc1ccc(NC(=O)CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000411503173 926462567 /nfs/dbraw/zinc/46/25/67/926462567.db2.gz JYJRPPVTSAYNQL-UHFFFAOYSA-N 2 2 384.524 3.803 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(N(C)C)[nH+]1 ZINC000750425186 927616798 /nfs/dbraw/zinc/61/67/98/927616798.db2.gz RCSMKGXKEAQNEJ-IBGZPJMESA-N 2 2 381.524 3.584 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(N(C)C)[nH+]1 ZINC000750425186 927616807 /nfs/dbraw/zinc/61/68/07/927616807.db2.gz RCSMKGXKEAQNEJ-IBGZPJMESA-N 2 2 381.524 3.584 20 0 GHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543965086 928628500 /nfs/dbraw/zinc/62/85/00/928628500.db2.gz BEQHVKKPNIBPLS-FQEVSTJZSA-N 2 2 399.539 3.515 20 0 GHADLP C[N@H+](CCCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)Cc1ccccc1 ZINC000543967249 928629830 /nfs/dbraw/zinc/62/98/30/928629830.db2.gz OIFHCISPTWMENV-UHFFFAOYSA-N 2 2 397.567 3.607 20 0 GHADLP C[N@@H+](CCCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)Cc1ccccc1 ZINC000543967249 928629836 /nfs/dbraw/zinc/62/98/36/928629836.db2.gz OIFHCISPTWMENV-UHFFFAOYSA-N 2 2 397.567 3.607 20 0 GHADLP C[C@@H](NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1Cl ZINC000543987521 928652143 /nfs/dbraw/zinc/65/21/43/928652143.db2.gz AEKQGLBLGSXGLA-QGZVFWFLSA-N 2 2 388.943 3.906 20 0 GHADLP CCS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000467411141 929044712 /nfs/dbraw/zinc/04/47/12/929044712.db2.gz MRXUCSCXUCATTL-XLIONFOSSA-N 2 2 378.582 3.613 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000544349931 929081209 /nfs/dbraw/zinc/08/12/09/929081209.db2.gz SLJAGMUURPKFOH-NRFANRHFSA-N 3 2 375.520 3.530 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000544349931 929081220 /nfs/dbraw/zinc/08/12/20/929081220.db2.gz SLJAGMUURPKFOH-NRFANRHFSA-N 3 2 375.520 3.530 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544349931 929081228 /nfs/dbraw/zinc/08/12/28/929081228.db2.gz SLJAGMUURPKFOH-NRFANRHFSA-N 3 2 375.520 3.530 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544349931 929081241 /nfs/dbraw/zinc/08/12/41/929081241.db2.gz SLJAGMUURPKFOH-NRFANRHFSA-N 3 2 375.520 3.530 20 0 GHADLP C[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000469838670 930194716 /nfs/dbraw/zinc/19/47/16/930194716.db2.gz OIYJYJONPCWSNB-WOJBJXKFSA-N 2 2 387.572 3.664 20 0 GHADLP C[C@]1(c2ccccc2)CCN(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1=O ZINC000780448582 930523063 /nfs/dbraw/zinc/52/30/63/930523063.db2.gz QOMLYKFBGSCIAL-HSZRJFAPSA-N 2 2 380.536 3.523 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2=O)cc1 ZINC000781518684 930876625 /nfs/dbraw/zinc/87/66/25/930876625.db2.gz RBDUDSXVWAJHKQ-WPYKKVEZSA-N 2 2 377.532 3.743 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2=O)cc1 ZINC000781518684 930876639 /nfs/dbraw/zinc/87/66/39/930876639.db2.gz RBDUDSXVWAJHKQ-WPYKKVEZSA-N 2 2 377.532 3.743 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(CC[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000695229566 931388197 /nfs/dbraw/zinc/38/81/97/931388197.db2.gz BEUKWMBOQIXENU-GOSISDBHSA-N 2 2 378.561 3.925 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(CC[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000695229569 931388491 /nfs/dbraw/zinc/38/84/91/931388491.db2.gz BEUKWMBOQIXENU-SFHVURJKSA-N 2 2 378.561 3.925 20 0 GHADLP Cc1cc(=O)oc2cc(OCC[NH+]3CCC(CCCn4cc[nH+]c4)CC3)ccc12 ZINC000783031345 931390979 /nfs/dbraw/zinc/39/09/79/931390979.db2.gz RMLWPFNNZQNASB-UHFFFAOYSA-N 2 2 395.503 3.869 20 0 GHADLP C[N@H+](CCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Cc1ccccc1 ZINC000557457744 931442657 /nfs/dbraw/zinc/44/26/57/931442657.db2.gz RGVJSUXPYBTNMD-OAQYLSRUSA-N 2 2 376.504 3.570 20 0 GHADLP C[N@@H+](CCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Cc1ccccc1 ZINC000557457744 931442663 /nfs/dbraw/zinc/44/26/63/931442663.db2.gz RGVJSUXPYBTNMD-OAQYLSRUSA-N 2 2 376.504 3.570 20 0 GHADLP CN(C(=O)CCCc1ccsc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000783527327 931572393 /nfs/dbraw/zinc/57/23/93/931572393.db2.gz AHVFBYKDJRKFOK-SFTDATJTSA-N 2 2 391.625 3.866 20 0 GHADLP CN(C(=O)CCCc1ccsc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000783527327 931572395 /nfs/dbraw/zinc/57/23/95/931572395.db2.gz AHVFBYKDJRKFOK-SFTDATJTSA-N 2 2 391.625 3.866 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)C2(Br)CC2)CCOCC1)c1ccccc1 ZINC000925109791 931650013 /nfs/dbraw/zinc/65/00/13/931650013.db2.gz FWLOUHIVEVSVMY-CVEARBPZSA-N 2 2 381.358 3.792 20 0 GHADLP Cc1cc(C(F)F)oc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000626262034 931792137 /nfs/dbraw/zinc/79/21/37/931792137.db2.gz STGJFHKWVVPCHS-DLBZAZTESA-N 2 2 397.510 3.935 20 0 GHADLP Cc1cc(C(F)F)oc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000626262034 931792142 /nfs/dbraw/zinc/79/21/42/931792142.db2.gz STGJFHKWVVPCHS-DLBZAZTESA-N 2 2 397.510 3.935 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796695876 932032967 /nfs/dbraw/zinc/03/29/67/932032967.db2.gz PZXWPQRMUVIBIH-FGTMMUONSA-N 2 2 390.572 3.869 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796695876 932032975 /nfs/dbraw/zinc/03/29/75/932032975.db2.gz PZXWPQRMUVIBIH-FGTMMUONSA-N 2 2 390.572 3.869 20 0 GHADLP CC(C)[C@@H](CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)[NH+]1CCCCCC1 ZINC000559363616 932629158 /nfs/dbraw/zinc/62/91/58/932629158.db2.gz BXNVSDLFWSFBHI-JOCHJYFZSA-N 2 2 397.567 3.631 20 0 GHADLP Cc1ccc(-c2nc(CC(=O)Nc3c[nH+]ccc3-n3cc[nH+]c3C)cs2)o1 ZINC001116061954 933312801 /nfs/dbraw/zinc/31/28/01/933312801.db2.gz ZWBJQJYKUKXKSU-UHFFFAOYSA-N 2 2 379.445 3.782 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccc(Br)c(F)c1 ZINC001116359357 933507806 /nfs/dbraw/zinc/50/78/06/933507806.db2.gz XVDGSVRIJHRORH-UHFFFAOYSA-N 2 2 389.228 3.659 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)ccc1OC(=O)C1CC1 ZINC001116444100 933562766 /nfs/dbraw/zinc/56/27/66/933562766.db2.gz QIIMJYKEKIOJOT-LJQANCHMSA-N 2 2 395.503 3.791 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)ccc1OC(=O)C1CC1 ZINC001116444100 933562771 /nfs/dbraw/zinc/56/27/71/933562771.db2.gz QIIMJYKEKIOJOT-LJQANCHMSA-N 2 2 395.503 3.791 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(OCC(F)F)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC001116507591 933599545 /nfs/dbraw/zinc/59/95/45/933599545.db2.gz SDRQZZFFEADROM-FUHWJXTLSA-N 2 2 375.463 3.868 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(OCC(F)F)ccn2)CC[N@H+]1Cc1ccccc1 ZINC001116507591 933599551 /nfs/dbraw/zinc/59/95/51/933599551.db2.gz SDRQZZFFEADROM-FUHWJXTLSA-N 2 2 375.463 3.868 20 0 GHADLP C[NH+]1CCC(C2CC[NH+](Cc3n[nH]c4ccc(Br)cc43)CC2)CC1 ZINC001139658907 933849632 /nfs/dbraw/zinc/84/96/32/933849632.db2.gz SWLOAXGLKPMDQE-UHFFFAOYSA-N 2 2 391.357 3.879 20 0 GHADLP COc1cccc(F)c1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC001120044103 934441853 /nfs/dbraw/zinc/44/18/53/934441853.db2.gz ZSLXWUGKPMDQOA-UHFFFAOYSA-N 2 2 377.891 3.529 20 0 GHADLP CNc1cc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc[nH+]1 ZINC001123651086 935245775 /nfs/dbraw/zinc/24/57/75/935245775.db2.gz JUKNUSANPMGSIR-SEJPIABJSA-N 2 2 393.535 3.508 20 0 GHADLP CNc1cc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc[nH+]1 ZINC001123651086 935245778 /nfs/dbraw/zinc/24/57/78/935245778.db2.gz JUKNUSANPMGSIR-SEJPIABJSA-N 2 2 393.535 3.508 20 0 GHADLP C[C@@H]1C[C@H]2CC[C@H](C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)C[N@@H+]2C1 ZINC001123677167 935250794 /nfs/dbraw/zinc/25/07/94/935250794.db2.gz GDSZAFNBZTZWBS-NZSAHSFTSA-N 2 2 376.504 3.661 20 0 GHADLP C[C@@H]1C[C@H]2CC[C@H](C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)C[N@H+]2C1 ZINC001123677167 935250800 /nfs/dbraw/zinc/25/08/00/935250800.db2.gz GDSZAFNBZTZWBS-NZSAHSFTSA-N 2 2 376.504 3.661 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2c(Cl)cncc2Cl)CC3)cn1 ZINC001137607077 935621907 /nfs/dbraw/zinc/62/19/07/935621907.db2.gz WIODFEBMNJXRPD-UHFFFAOYSA-N 2 2 394.350 3.753 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2c(Cl)cncc2Cl)CC3)cn1 ZINC001137607077 935621908 /nfs/dbraw/zinc/62/19/08/935621908.db2.gz WIODFEBMNJXRPD-UHFFFAOYSA-N 2 2 394.350 3.753 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)n1cc[nH+]c1 ZINC001137781609 935786507 /nfs/dbraw/zinc/78/65/07/935786507.db2.gz NHOFAEZIDKVNIU-KAOXLYBCSA-N 2 2 394.563 3.887 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)n1cc[nH+]c1 ZINC001137781609 935786516 /nfs/dbraw/zinc/78/65/16/935786516.db2.gz NHOFAEZIDKVNIU-KAOXLYBCSA-N 2 2 394.563 3.887 20 0 GHADLP CC(=O)Oc1cccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)c1 ZINC001138040357 935944313 /nfs/dbraw/zinc/94/43/13/935944313.db2.gz ICFGUHJJGBJWDN-UHFFFAOYSA-N 2 2 397.519 3.847 20 0 GHADLP CC(=O)Oc1cccc(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)c1 ZINC001138040357 935944315 /nfs/dbraw/zinc/94/43/15/935944315.db2.gz ICFGUHJJGBJWDN-UHFFFAOYSA-N 2 2 397.519 3.847 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCc2sccc2C1 ZINC000468501928 1015758241 /nfs/dbraw/zinc/75/82/41/1015758241.db2.gz OGSIPDOLBHNAEL-WIYYLYMNSA-N 2 2 397.588 3.666 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCc2sccc2C1 ZINC000468501928 1015758246 /nfs/dbraw/zinc/75/82/46/1015758246.db2.gz OGSIPDOLBHNAEL-WIYYLYMNSA-N 2 2 397.588 3.666 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000468501928 1015758250 /nfs/dbraw/zinc/75/82/50/1015758250.db2.gz OGSIPDOLBHNAEL-WIYYLYMNSA-N 2 2 397.588 3.666 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000468501928 1015758256 /nfs/dbraw/zinc/75/82/56/1015758256.db2.gz OGSIPDOLBHNAEL-WIYYLYMNSA-N 2 2 397.588 3.666 20 0 GHADLP CC[N@H+](Cc1ccc(Cl)c(I)c1)C1CC[NH+](C)CC1 ZINC001233354648 1039171789 /nfs/dbraw/zinc/17/17/89/1039171789.db2.gz PKZZGQWOLKQYMH-UHFFFAOYSA-N 2 2 392.712 3.861 20 0 GHADLP CC[N@@H+](Cc1ccc(Cl)c(I)c1)C1CC[NH+](C)CC1 ZINC001233354648 1039171803 /nfs/dbraw/zinc/17/18/03/1039171803.db2.gz PKZZGQWOLKQYMH-UHFFFAOYSA-N 2 2 392.712 3.861 20 0 GHADLP C[C@@H]1CCCCN1c1nc2ccccc2nc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155063447 1032398908 /nfs/dbraw/zinc/39/89/08/1032398908.db2.gz BAPXAHJCKAIFRM-MRXNPFEDSA-N 2 2 376.508 3.661 20 0 GHADLP Cc1nc(-n2c[nH+]cc2C2CC[NH2+]CC2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001155063396 1032399382 /nfs/dbraw/zinc/39/93/82/1032399382.db2.gz SHINFRAUXSMCNO-UHFFFAOYSA-N 2 2 381.911 3.990 20 0 GHADLP CCOC(=O)Cc1ccc[nH+]c1N[C@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21 ZINC001155429639 1032538995 /nfs/dbraw/zinc/53/89/95/1032538995.db2.gz BQZWUNKKMZMEMR-FQEVSTJZSA-N 2 2 379.504 3.674 20 0 GHADLP CCOC(=O)Cc1cc[nH+]c(N[C@@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)c1 ZINC001155441728 1032543415 /nfs/dbraw/zinc/54/34/15/1032543415.db2.gz IIMVWLPJUJGBCG-HXUWFJFHSA-N 2 2 379.504 3.674 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(F)c1)CC2 ZINC001204229202 1032674238 /nfs/dbraw/zinc/67/42/38/1032674238.db2.gz BIGBMWVHBOWRMC-IBGZPJMESA-N 2 2 376.447 3.813 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(F)c1)CC2 ZINC001204229202 1032674247 /nfs/dbraw/zinc/67/42/47/1032674247.db2.gz BIGBMWVHBOWRMC-IBGZPJMESA-N 2 2 376.447 3.813 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)c1cccc2c[nH+]cn21)c1ccc(Cl)cc1Cl ZINC001155799387 1032712018 /nfs/dbraw/zinc/71/20/18/1032712018.db2.gz HXVGLKMOZNKZGW-QGZVFWFLSA-N 2 2 377.275 3.674 20 0 GHADLP Fc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1Cl ZINC001204283971 1032726449 /nfs/dbraw/zinc/72/64/49/1032726449.db2.gz YQKNRXLILIFTCR-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1Cl ZINC001204283971 1032726464 /nfs/dbraw/zinc/72/64/64/1032726464.db2.gz YQKNRXLILIFTCR-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1Cl ZINC001204283971 1032726497 /nfs/dbraw/zinc/72/64/97/1032726497.db2.gz YQKNRXLILIFTCR-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP C[NH+](C)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)Cc2ccccc2C1 ZINC000778092767 1018349422 /nfs/dbraw/zinc/34/94/22/1018349422.db2.gz AMIDLYVGWFURNI-SEJPIABJSA-N 2 2 399.579 3.606 20 0 GHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)CC2)c1 ZINC000564922496 1019129313 /nfs/dbraw/zinc/12/93/13/1019129313.db2.gz RMTZKZMGSIFNNC-AVRDEDQJSA-N 2 2 395.547 3.627 20 0 GHADLP COc1cc2c(cc1C[N@H+](C)[C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)OCO2 ZINC000570372512 1019594981 /nfs/dbraw/zinc/59/49/81/1019594981.db2.gz COVSAKYKJYQDEG-FXAWDEMLSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc2c(cc1C[N@@H+](C)[C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)OCO2 ZINC000570372512 1019594990 /nfs/dbraw/zinc/59/49/90/1019594990.db2.gz COVSAKYKJYQDEG-FXAWDEMLSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc2c(cc1C[NH+](C)[C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)OCO2 ZINC000570372512 1019594997 /nfs/dbraw/zinc/59/49/97/1019594997.db2.gz COVSAKYKJYQDEG-FXAWDEMLSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc2c(cc1C[NH+](C)[C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)OCO2 ZINC000570372512 1019595000 /nfs/dbraw/zinc/59/50/00/1019595000.db2.gz COVSAKYKJYQDEG-FXAWDEMLSA-N 2 2 382.504 3.909 20 0 GHADLP CC[C@H](c1nnc(SC[C@H](O)C[N@H+](C)C(C)C)n1C1CCCCC1)[NH+](C)C ZINC000576240613 1019991773 /nfs/dbraw/zinc/99/17/73/1019991773.db2.gz CFKDBMJEFNEBGF-QZTJIDSGSA-N 2 2 397.633 3.589 20 0 GHADLP CC[C@H](c1nnc(SC[C@H](O)C[N@@H+](C)C(C)C)n1C1CCCCC1)[NH+](C)C ZINC000576240613 1019991777 /nfs/dbraw/zinc/99/17/77/1019991777.db2.gz CFKDBMJEFNEBGF-QZTJIDSGSA-N 2 2 397.633 3.589 20 0 GHADLP Clc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC001204442291 1032879099 /nfs/dbraw/zinc/87/90/99/1032879099.db2.gz LWKUVLGECFVPPQ-SJLPKXTDSA-N 2 2 377.941 3.519 20 0 GHADLP Clc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC001204442291 1032879114 /nfs/dbraw/zinc/87/91/14/1032879114.db2.gz LWKUVLGECFVPPQ-SJLPKXTDSA-N 2 2 377.941 3.519 20 0 GHADLP Clc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC001204442291 1032879129 /nfs/dbraw/zinc/87/91/29/1032879129.db2.gz LWKUVLGECFVPPQ-SJLPKXTDSA-N 2 2 377.941 3.519 20 0 GHADLP Clc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC001204442291 1032879144 /nfs/dbraw/zinc/87/91/44/1032879144.db2.gz LWKUVLGECFVPPQ-SJLPKXTDSA-N 2 2 377.941 3.519 20 0 GHADLP Cc1nc(-c2ccccc2)sc1C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000578640397 1020352291 /nfs/dbraw/zinc/35/22/91/1020352291.db2.gz UOXRWHGFSVCMFR-NRFANRHFSA-N 2 2 393.556 3.627 20 0 GHADLP Cc1nc(-c2ccccc2)sc1C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000578640397 1020352303 /nfs/dbraw/zinc/35/23/03/1020352303.db2.gz UOXRWHGFSVCMFR-NRFANRHFSA-N 2 2 393.556 3.627 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(Cl)c1Cl ZINC000579385657 1020410513 /nfs/dbraw/zinc/41/05/13/1020410513.db2.gz IMHWAPUJFPYNCY-AVOUXACISA-N 2 2 384.351 3.728 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(Cl)c1Cl ZINC000579385657 1020410519 /nfs/dbraw/zinc/41/05/19/1020410519.db2.gz IMHWAPUJFPYNCY-AVOUXACISA-N 2 2 384.351 3.728 20 0 GHADLP C[N@H+](CCc1cccc(C(F)(F)F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000628165411 1020674648 /nfs/dbraw/zinc/67/46/48/1020674648.db2.gz XDMGOYTWUAOJQF-UHFFFAOYSA-N 2 2 380.458 3.541 20 0 GHADLP C[N@@H+](CCc1cccc(C(F)(F)F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000628165411 1020674655 /nfs/dbraw/zinc/67/46/55/1020674655.db2.gz XDMGOYTWUAOJQF-UHFFFAOYSA-N 2 2 380.458 3.541 20 0 GHADLP CC1(C)C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC001204514744 1032942078 /nfs/dbraw/zinc/94/20/78/1032942078.db2.gz BSMWPRWUELCKJI-QHCPKHFHSA-N 2 2 380.532 3.981 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC001204514744 1032942081 /nfs/dbraw/zinc/94/20/81/1032942081.db2.gz BSMWPRWUELCKJI-QHCPKHFHSA-N 2 2 380.532 3.981 20 0 GHADLP CC[NH+](CC)CCCC1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635789387 1020989447 /nfs/dbraw/zinc/98/94/47/1020989447.db2.gz KATLSSVOWDYJQG-QGZVFWFLSA-N 2 2 388.478 3.737 20 0 GHADLP COCOc1ccc(OC)cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000092587787 1021085264 /nfs/dbraw/zinc/08/52/64/1021085264.db2.gz IAZQISHZKOJIIN-IBGZPJMESA-N 2 2 376.541 3.622 20 0 GHADLP COCOc1ccc(OC)cc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000092587787 1021085273 /nfs/dbraw/zinc/08/52/73/1021085273.db2.gz IAZQISHZKOJIIN-IBGZPJMESA-N 2 2 376.541 3.622 20 0 GHADLP COC(=O)c1cnc([C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)s1 ZINC001204542068 1032960058 /nfs/dbraw/zinc/96/00/58/1032960058.db2.gz BYSYAGLGTYFILN-MRXNPFEDSA-N 2 2 387.549 3.835 20 0 GHADLP COC(=O)c1cnc([C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC001204542068 1032960062 /nfs/dbraw/zinc/96/00/62/1032960062.db2.gz BYSYAGLGTYFILN-MRXNPFEDSA-N 2 2 387.549 3.835 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000834774488 1021461362 /nfs/dbraw/zinc/46/13/62/1021461362.db2.gz PRYRSRDKRXXCCZ-DYXWJJEUSA-N 2 2 396.535 3.928 20 0 GHADLP Cc1nc(NCc2cccc(C(=O)NC3CCC(C)([NH+]4CCC4)CC3)c2)cc[nH+]1 ZINC000834784190 1021470112 /nfs/dbraw/zinc/47/01/12/1021470112.db2.gz ZDPRUWLHUGOCMP-UHFFFAOYSA-N 2 2 393.535 3.534 20 0 GHADLP FC1(F)CC[N@H+](Cc2ccc3n[nH]cc3c2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001140383328 1021536725 /nfs/dbraw/zinc/53/67/25/1021536725.db2.gz JTQHENKQGLWINU-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[N@@H+](Cc2ccc3n[nH]cc3c2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001140383328 1021536732 /nfs/dbraw/zinc/53/67/32/1021536732.db2.gz JTQHENKQGLWINU-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2ccc3n[nH]cc3c2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001140383328 1021536738 /nfs/dbraw/zinc/53/67/38/1021536738.db2.gz JTQHENKQGLWINU-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2ccc3n[nH]cc3c2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001140383328 1021536742 /nfs/dbraw/zinc/53/67/42/1021536742.db2.gz JTQHENKQGLWINU-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP COC(=O)c1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001204679325 1033028584 /nfs/dbraw/zinc/02/85/84/1033028584.db2.gz LLQQZTVGLVHNKY-DEOSSOPVSA-N 2 2 378.516 3.961 20 0 GHADLP COC(=O)c1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001204679325 1033028591 /nfs/dbraw/zinc/02/85/91/1033028591.db2.gz LLQQZTVGLVHNKY-DEOSSOPVSA-N 2 2 378.516 3.961 20 0 GHADLP COC(=O)c1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001204679325 1033028603 /nfs/dbraw/zinc/02/86/03/1033028603.db2.gz LLQQZTVGLVHNKY-DEOSSOPVSA-N 2 2 378.516 3.961 20 0 GHADLP COC(=O)c1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001204679325 1033028610 /nfs/dbraw/zinc/02/86/10/1033028610.db2.gz LLQQZTVGLVHNKY-DEOSSOPVSA-N 2 2 378.516 3.961 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835479994 1022174333 /nfs/dbraw/zinc/17/43/33/1022174333.db2.gz GTRQUQLPWQPMHG-AUSIDOKSSA-N 2 2 389.499 3.999 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835479994 1022174351 /nfs/dbraw/zinc/17/43/51/1022174351.db2.gz GTRQUQLPWQPMHG-AUSIDOKSSA-N 2 2 389.499 3.999 20 0 GHADLP COc1cccc(Cl)c1C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001140733709 1022388812 /nfs/dbraw/zinc/38/88/12/1022388812.db2.gz CMFAVRYWALLTPP-UHFFFAOYSA-N 2 2 388.943 3.713 20 0 GHADLP COc1cccc(Cl)c1C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001140733709 1022388828 /nfs/dbraw/zinc/38/88/28/1022388828.db2.gz CMFAVRYWALLTPP-UHFFFAOYSA-N 2 2 388.943 3.713 20 0 GHADLP C[C@@H]1CN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001140896733 1022826209 /nfs/dbraw/zinc/82/62/09/1022826209.db2.gz YTOZWIXBVZUYNN-AVRDEDQJSA-N 2 2 399.966 3.923 20 0 GHADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(-c3ccc(Cl)cc3)c2)CC1 ZINC001204796224 1033093159 /nfs/dbraw/zinc/09/31/59/1033093159.db2.gz MRXSBBBBHFZEFC-QFIPXVFZSA-N 2 2 397.950 3.745 20 0 GHADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(-c3ccc(Cl)cc3)c2)CC1 ZINC001204796224 1033093173 /nfs/dbraw/zinc/09/31/73/1033093173.db2.gz MRXSBBBBHFZEFC-QFIPXVFZSA-N 2 2 397.950 3.745 20 0 GHADLP Cc1cc(OC(F)(F)F)ccc1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001140960733 1023013435 /nfs/dbraw/zinc/01/34/35/1023013435.db2.gz CYJMHVXDJQRINZ-OALUTQOASA-N 2 2 391.437 3.852 20 0 GHADLP C/C(=C\C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000755206073 1023127405 /nfs/dbraw/zinc/12/74/05/1023127405.db2.gz KAESGEUQHROPHX-QFWQFVLDSA-N 2 2 383.580 3.886 20 0 GHADLP C/C(=C\C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000755206073 1023127413 /nfs/dbraw/zinc/12/74/13/1023127413.db2.gz KAESGEUQHROPHX-QFWQFVLDSA-N 2 2 383.580 3.886 20 0 GHADLP COc1ccc2nc(Cl)c(C[NH+]3CCN(c4cc[nH+]c(C)c4)CC3)cc2c1 ZINC001141066372 1023415967 /nfs/dbraw/zinc/41/59/67/1023415967.db2.gz DQCUHXUAMHUVCS-UHFFFAOYSA-N 2 2 382.895 3.922 20 0 GHADLP CCCCc1[nH]c(C[NH+]2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)c[nH+]1 ZINC001141071001 1023423587 /nfs/dbraw/zinc/42/35/87/1023423587.db2.gz WZMQGSNJVBYSJJ-LJQANCHMSA-N 2 2 398.551 3.845 20 0 GHADLP CC1(C)CCc2cc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccc2O1 ZINC001141181506 1024022792 /nfs/dbraw/zinc/02/27/92/1024022792.db2.gz HPPLNLXNDRRCPG-VXKWHMMOSA-N 2 2 377.532 3.749 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2cccc(-n3cc[nH+]c3)c2)C2CC2)C1 ZINC001141243710 1024251520 /nfs/dbraw/zinc/25/15/20/1024251520.db2.gz SWTMQFJIHSZTPW-HXUWFJFHSA-N 2 2 382.508 3.846 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2cccc(-n3cc[nH+]c3)c2)C2CC2)C1 ZINC001141243710 1024251536 /nfs/dbraw/zinc/25/15/36/1024251536.db2.gz SWTMQFJIHSZTPW-HXUWFJFHSA-N 2 2 382.508 3.846 20 0 GHADLP FC(F)(F)c1ccc(C[NH+]2CCN(Cc3ccc4c(c3)CC[NH2+]C4)CC2)cc1 ZINC001205025646 1033218770 /nfs/dbraw/zinc/21/87/70/1033218770.db2.gz AUGZASYOWNOOPY-UHFFFAOYSA-N 2 2 389.465 3.669 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cccc3nccnc13)CC2 ZINC001138301514 1024592081 /nfs/dbraw/zinc/59/20/81/1024592081.db2.gz RXZWXMWTOOHDQA-UHFFFAOYSA-N 2 2 391.519 3.865 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cccc3nccnc13)CC2 ZINC001138301514 1024592093 /nfs/dbraw/zinc/59/20/93/1024592093.db2.gz RXZWXMWTOOHDQA-UHFFFAOYSA-N 2 2 391.519 3.865 20 0 GHADLP Cc1ccc2[nH]c(C[NH+]3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)cc2c1 ZINC001138418539 1024809828 /nfs/dbraw/zinc/80/98/28/1024809828.db2.gz RDAWCMADVUOMLK-UHFFFAOYSA-N 2 2 376.504 3.743 20 0 GHADLP CCOC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)Cc2c1cnn2CC ZINC001138542954 1024985987 /nfs/dbraw/zinc/98/59/87/1024985987.db2.gz KJOANSMEAPGTLZ-IBGZPJMESA-N 2 2 379.508 3.533 20 0 GHADLP CCOC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)Cc2c1cnn2CC ZINC001138542954 1024985990 /nfs/dbraw/zinc/98/59/90/1024985990.db2.gz KJOANSMEAPGTLZ-IBGZPJMESA-N 2 2 379.508 3.533 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1c[nH+]cn1Cc1ccccc1)[C@H]2C ZINC001138561824 1025026123 /nfs/dbraw/zinc/02/61/23/1025026123.db2.gz AUUPEQKKKVWIOG-IBGZPJMESA-N 2 2 392.551 3.545 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1c[nH+]cn1Cc1ccccc1)[C@H]2C ZINC001138561824 1025026140 /nfs/dbraw/zinc/02/61/40/1025026140.db2.gz AUUPEQKKKVWIOG-IBGZPJMESA-N 2 2 392.551 3.545 20 0 GHADLP COc1ccc2c(C[NH+]3CCC4(CCC[N@@H+]4Cc4cnn(C)c4)CC3)c[nH]c2c1 ZINC001138586740 1025069754 /nfs/dbraw/zinc/06/97/54/1025069754.db2.gz KKYPFBCMZBWQIO-UHFFFAOYSA-N 2 2 393.535 3.541 20 0 GHADLP COc1ccc2c(C[NH+]3CCC4(CCC[N@H+]4Cc4cnn(C)c4)CC3)c[nH]c2c1 ZINC001138586740 1025069761 /nfs/dbraw/zinc/06/97/61/1025069761.db2.gz KKYPFBCMZBWQIO-UHFFFAOYSA-N 2 2 393.535 3.541 20 0 GHADLP c1ccc(N2CCCCC2)c(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001138606141 1025094436 /nfs/dbraw/zinc/09/44/36/1025094436.db2.gz IGSYNBFNAITNSY-ZRZAMGCNSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(N2CCCCC2)c(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001138606141 1025094442 /nfs/dbraw/zinc/09/44/42/1025094442.db2.gz IGSYNBFNAITNSY-ZRZAMGCNSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(N2CCCCC2)c(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001138606141 1025094446 /nfs/dbraw/zinc/09/44/46/1025094446.db2.gz IGSYNBFNAITNSY-ZRZAMGCNSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(N2CCCCC2)c(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001138606141 1025094452 /nfs/dbraw/zinc/09/44/52/1025094452.db2.gz IGSYNBFNAITNSY-ZRZAMGCNSA-N 2 2 376.548 3.636 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4nc(C)ccc4c3)CC2)C1 ZINC001141475568 1025167302 /nfs/dbraw/zinc/16/73/02/1025167302.db2.gz MGULDFUSXNAFOS-NRFANRHFSA-N 2 2 395.547 3.783 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4nc(C)ccc4c3)CC2)C1 ZINC001141475568 1025167307 /nfs/dbraw/zinc/16/73/07/1025167307.db2.gz MGULDFUSXNAFOS-NRFANRHFSA-N 2 2 395.547 3.783 20 0 GHADLP Cc1ccc2cc(C[NH+]3CCC4(CCC[N@H+]4Cc4cnn(C)c4)CC3)ccc2n1 ZINC001141477783 1025176378 /nfs/dbraw/zinc/17/63/78/1025176378.db2.gz YFRHXZNIJBGMRG-UHFFFAOYSA-N 2 2 389.547 3.907 20 0 GHADLP Cc1ccc2cc(C[NH+]3CCC4(CCC[N@@H+]4Cc4cnn(C)c4)CC3)ccc2n1 ZINC001141477783 1025176384 /nfs/dbraw/zinc/17/63/84/1025176384.db2.gz YFRHXZNIJBGMRG-UHFFFAOYSA-N 2 2 389.547 3.907 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@H+](Cc2cccnc2)Cc2ccccn2)cc1 ZINC001138772695 1025344076 /nfs/dbraw/zinc/34/40/76/1025344076.db2.gz XANVTAYUSKMDKQ-UHFFFAOYSA-N 2 2 376.504 3.619 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@@H+](Cc2cccnc2)Cc2ccccn2)cc1 ZINC001138772695 1025344091 /nfs/dbraw/zinc/34/40/91/1025344091.db2.gz XANVTAYUSKMDKQ-UHFFFAOYSA-N 2 2 376.504 3.619 20 0 GHADLP COCC[N@H+](Cc1ccc(OC)c(OC2CCCC2)c1)C1CC[NH+](C)CC1 ZINC001141520922 1025375838 /nfs/dbraw/zinc/37/58/38/1025375838.db2.gz HDBCWUCNYUYFFB-UHFFFAOYSA-N 2 2 376.541 3.559 20 0 GHADLP COCC[N@@H+](Cc1ccc(OC)c(OC2CCCC2)c1)C1CC[NH+](C)CC1 ZINC001141520922 1025375852 /nfs/dbraw/zinc/37/58/52/1025375852.db2.gz HDBCWUCNYUYFFB-UHFFFAOYSA-N 2 2 376.541 3.559 20 0 GHADLP Cc1nc(N(C)C)cc(NC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)[nH+]1 ZINC001162032564 1025550561 /nfs/dbraw/zinc/55/05/61/1025550561.db2.gz NXKOZVZTFPJPSF-UHFFFAOYSA-N 2 2 393.457 3.946 20 0 GHADLP Cc1nc(NC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cc(N(C)C)[nH+]1 ZINC001162032564 1025550578 /nfs/dbraw/zinc/55/05/78/1025550578.db2.gz NXKOZVZTFPJPSF-UHFFFAOYSA-N 2 2 393.457 3.946 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)CC2)cc1 ZINC001141599860 1025811217 /nfs/dbraw/zinc/81/12/17/1025811217.db2.gz DPFLHNDMPFWVAG-QHCPKHFHSA-N 2 2 389.559 3.667 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)CC2)cc1 ZINC001141599860 1025811236 /nfs/dbraw/zinc/81/12/36/1025811236.db2.gz DPFLHNDMPFWVAG-QHCPKHFHSA-N 2 2 389.559 3.667 20 0 GHADLP COc1cccc([C@@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC001139060214 1025847766 /nfs/dbraw/zinc/84/77/66/1025847766.db2.gz MUXCDOKQUVOZBA-HSZRJFAPSA-N 2 2 380.532 3.907 20 0 GHADLP COc1cccc([C@@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC001139060214 1025847787 /nfs/dbraw/zinc/84/77/87/1025847787.db2.gz MUXCDOKQUVOZBA-HSZRJFAPSA-N 2 2 380.532 3.907 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139059535 1025849197 /nfs/dbraw/zinc/84/91/97/1025849197.db2.gz BGBXAHZCFRTHLR-FGZHOGPDSA-N 2 2 393.575 3.614 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139059535 1025849225 /nfs/dbraw/zinc/84/92/25/1025849225.db2.gz BGBXAHZCFRTHLR-FGZHOGPDSA-N 2 2 393.575 3.614 20 0 GHADLP COc1ccc([C@@H]2CSCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001139062380 1025854199 /nfs/dbraw/zinc/85/41/99/1025854199.db2.gz PSRLKBHSGMBIOV-QHCPKHFHSA-N 2 2 398.572 3.818 20 0 GHADLP COc1ccc([C@@H]2CSCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001139062380 1025854205 /nfs/dbraw/zinc/85/42/05/1025854205.db2.gz PSRLKBHSGMBIOV-QHCPKHFHSA-N 2 2 398.572 3.818 20 0 GHADLP CC(C)(C)[C@@H](C[NH+]1CCOCC1)Nc1[nH+]c(N2CCCC2)cc2ccccc21 ZINC001162879285 1025950604 /nfs/dbraw/zinc/95/06/04/1025950604.db2.gz CWRUCWWCWXMTOG-HXUWFJFHSA-N 2 2 382.552 3.994 20 0 GHADLP Fc1ccccc1COc1ccc[nH+]c1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162956974 1025985006 /nfs/dbraw/zinc/98/50/06/1025985006.db2.gz IDAVKXRPCCTPDY-SFHVURJKSA-N 2 2 385.483 3.760 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)C(F)(F)F)c2)[C@@H](C)C1 ZINC000839561898 1026060782 /nfs/dbraw/zinc/06/07/82/1026060782.db2.gz REKWARCWWQUUDW-YJBOKZPZSA-N 2 2 386.458 3.658 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)C(F)(F)F)c2)[C@@H](C)C1 ZINC000839561898 1026060797 /nfs/dbraw/zinc/06/07/97/1026060797.db2.gz REKWARCWWQUUDW-YJBOKZPZSA-N 2 2 386.458 3.658 20 0 GHADLP COc1ccc2cc(C[NH+]3CCC4(CC(N(C)C)=[NH+]O4)CC3)c(Cl)nc2c1 ZINC001139308806 1026163588 /nfs/dbraw/zinc/16/35/88/1026163588.db2.gz IHCRTSBRWFHYBE-UHFFFAOYSA-N 2 2 388.899 3.527 20 0 GHADLP COc1ccc([C@@H](O)C[N@H+](CCn2cc[nH+]c2)[C@H](C)Cc2ccccc2)cc1 ZINC000839646770 1026165816 /nfs/dbraw/zinc/16/58/16/1026165816.db2.gz LFBOBKVLPWVLLN-XXBNENTESA-N 2 2 379.504 3.559 20 0 GHADLP COc1ccc([C@@H](O)C[N@@H+](CCn2cc[nH+]c2)[C@H](C)Cc2ccccc2)cc1 ZINC000839646770 1026165826 /nfs/dbraw/zinc/16/58/26/1026165826.db2.gz LFBOBKVLPWVLLN-XXBNENTESA-N 2 2 379.504 3.559 20 0 GHADLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1cccc(C(F)(F)F)c1 ZINC001139324711 1026182379 /nfs/dbraw/zinc/18/23/79/1026182379.db2.gz MRUNNZZNIKZXNY-UHFFFAOYSA-N 2 2 384.471 3.546 20 0 GHADLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1cccc(C(F)(F)F)c1 ZINC001139324711 1026182385 /nfs/dbraw/zinc/18/23/85/1026182385.db2.gz MRUNNZZNIKZXNY-UHFFFAOYSA-N 2 2 384.471 3.546 20 0 GHADLP CSc1ccccc1[C@H]1CCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139325746 1026184592 /nfs/dbraw/zinc/18/45/92/1026184592.db2.gz YNDHWQJLFYVFGB-GOSISDBHSA-N 2 2 388.606 3.954 20 0 GHADLP CSc1ccccc1[C@H]1CCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139325746 1026184599 /nfs/dbraw/zinc/18/45/99/1026184599.db2.gz YNDHWQJLFYVFGB-GOSISDBHSA-N 2 2 388.606 3.954 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(N5CCCCC5)nc4)C[C@@H]3C2)cc1 ZINC001139344960 1026209378 /nfs/dbraw/zinc/20/93/78/1026209378.db2.gz VOTRXJRZRHDJOU-GOTSBHOMSA-N 2 2 376.548 3.636 20 0 GHADLP C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139356145 1026227834 /nfs/dbraw/zinc/22/78/34/1026227834.db2.gz FOUHPLOYIPMVKJ-PKOBYXMFSA-N 2 2 384.524 3.998 20 0 GHADLP C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139356145 1026227847 /nfs/dbraw/zinc/22/78/47/1026227847.db2.gz FOUHPLOYIPMVKJ-PKOBYXMFSA-N 2 2 384.524 3.998 20 0 GHADLP c1cn(-c2ccc(C[N@H+]3CC[C@H](OCC4CC4)[C@@H]3Cc3cccnc3)cc2)c[nH+]1 ZINC001139357977 1026230553 /nfs/dbraw/zinc/23/05/53/1026230553.db2.gz GSHONINAPYULMW-ZEQRLZLVSA-N 2 2 388.515 3.880 20 0 GHADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H](OCC4CC4)[C@@H]3Cc3cccnc3)cc2)c[nH+]1 ZINC001139357977 1026230568 /nfs/dbraw/zinc/23/05/68/1026230568.db2.gz GSHONINAPYULMW-ZEQRLZLVSA-N 2 2 388.515 3.880 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CCC4(CCN(c5ncccn5)CC4)CC3)cc2)c[nH+]1 ZINC001139359427 1026232438 /nfs/dbraw/zinc/23/24/38/1026232438.db2.gz DADPWWFKNFHPIV-UHFFFAOYSA-N 2 2 388.519 3.545 20 0 GHADLP COc1cc2cc[nH+]c(N3CCC(COCC[NH+]4CCCC4)CC3)c2cc1F ZINC001163886093 1026350905 /nfs/dbraw/zinc/35/09/05/1026350905.db2.gz IWXKCVXOXQKMKL-UHFFFAOYSA-N 2 2 387.499 3.711 20 0 GHADLP C[NH+](C)C1(CNc2ncc(C(F)(F)F)cc2-c2ccco2)CC[NH+](C)CC1 ZINC001164210823 1026453683 /nfs/dbraw/zinc/45/36/83/1026453683.db2.gz JAELQCPIFZNMEP-UHFFFAOYSA-N 2 2 382.430 3.798 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)ccc3OCC)CC2)C1 ZINC001139600293 1026462831 /nfs/dbraw/zinc/46/28/31/1026462831.db2.gz NAZPCJCEVXXHKM-LJQANCHMSA-N 2 2 388.552 3.633 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)ccc3OCC)CC2)C1 ZINC001139600293 1026462838 /nfs/dbraw/zinc/46/28/38/1026462838.db2.gz NAZPCJCEVXXHKM-LJQANCHMSA-N 2 2 388.552 3.633 20 0 GHADLP COc1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)s1 ZINC001139816604 1026638230 /nfs/dbraw/zinc/63/82/30/1026638230.db2.gz GHHUQMUPFXJZSP-WBAXXEDZSA-N 2 2 377.579 3.946 20 0 GHADLP COc1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)s1 ZINC001139816604 1026638238 /nfs/dbraw/zinc/63/82/38/1026638238.db2.gz GHHUQMUPFXJZSP-WBAXXEDZSA-N 2 2 377.579 3.946 20 0 GHADLP COc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@H]3C2)s1 ZINC001139816604 1026638244 /nfs/dbraw/zinc/63/82/44/1026638244.db2.gz GHHUQMUPFXJZSP-WBAXXEDZSA-N 2 2 377.579 3.946 20 0 GHADLP COc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)s1 ZINC001139816604 1026638249 /nfs/dbraw/zinc/63/82/49/1026638249.db2.gz GHHUQMUPFXJZSP-WBAXXEDZSA-N 2 2 377.579 3.946 20 0 GHADLP Brc1cccc2c([C@H]3CN(c4cc5[nH]ccc5c[nH+]4)CCO3)[nH+]cn21 ZINC001165317627 1026703000 /nfs/dbraw/zinc/70/30/00/1026703000.db2.gz CKWZFPMLCYFKMC-OAHLLOKOSA-N 2 2 398.264 3.551 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001140022023 1026806976 /nfs/dbraw/zinc/80/69/76/1026806976.db2.gz XUSRJVRTRUALOM-ICSRJNTNSA-N 2 2 382.508 3.622 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001140022023 1026806986 /nfs/dbraw/zinc/80/69/86/1026806986.db2.gz XUSRJVRTRUALOM-ICSRJNTNSA-N 2 2 382.508 3.622 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C ZINC001140021974 1026807990 /nfs/dbraw/zinc/80/79/90/1026807990.db2.gz VZWGERAXHKYEMP-FHWLQOOXSA-N 2 2 382.508 3.668 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C ZINC001140021974 1026807995 /nfs/dbraw/zinc/80/79/95/1026807995.db2.gz VZWGERAXHKYEMP-FHWLQOOXSA-N 2 2 382.508 3.668 20 0 GHADLP COc1cccc(OC2CC[NH+](Cc3ccccc3-n3cc[nH+]c3C)CC2)n1 ZINC001140027286 1026815012 /nfs/dbraw/zinc/81/50/12/1026815012.db2.gz HCVHQEBKFFMPFP-UHFFFAOYSA-N 2 2 378.476 3.628 20 0 GHADLP CN(CC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001203001923 1026871728 /nfs/dbraw/zinc/87/17/28/1026871728.db2.gz JDEVOODBHOLOIM-QHCPKHFHSA-N 2 2 387.568 3.841 20 0 GHADLP CN(CC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001203001923 1026871729 /nfs/dbraw/zinc/87/17/29/1026871729.db2.gz JDEVOODBHOLOIM-QHCPKHFHSA-N 2 2 387.568 3.841 20 0 GHADLP CN(CC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001203001923 1026871730 /nfs/dbraw/zinc/87/17/30/1026871730.db2.gz JDEVOODBHOLOIM-QHCPKHFHSA-N 2 2 387.568 3.841 20 0 GHADLP CN(CC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001203001923 1026871732 /nfs/dbraw/zinc/87/17/32/1026871732.db2.gz JDEVOODBHOLOIM-QHCPKHFHSA-N 2 2 387.568 3.841 20 0 GHADLP COc1ccc2oc(C[NH+]3CCC4(CCC[N@@H+]4Cc4cnn(C)c4)CC3)cc2c1 ZINC001209770985 1027174948 /nfs/dbraw/zinc/17/49/48/1027174948.db2.gz FYMIIYLPVCEFDV-UHFFFAOYSA-N 2 2 394.519 3.806 20 0 GHADLP COc1ccc2oc(C[NH+]3CCC4(CCC[N@H+]4Cc4cnn(C)c4)CC3)cc2c1 ZINC001209770985 1027174962 /nfs/dbraw/zinc/17/49/62/1027174962.db2.gz FYMIIYLPVCEFDV-UHFFFAOYSA-N 2 2 394.519 3.806 20 0 GHADLP COc1ccc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)c(OC)c1OC ZINC001203471301 1027361286 /nfs/dbraw/zinc/36/12/86/1027361286.db2.gz JPTFBLRKBBQVTJ-UHFFFAOYSA-N 2 2 376.541 3.941 20 0 GHADLP COc1ccc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)c(OC)c1OC ZINC001203471301 1027361293 /nfs/dbraw/zinc/36/12/93/1027361293.db2.gz JPTFBLRKBBQVTJ-UHFFFAOYSA-N 2 2 376.541 3.941 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1C(F)(F)F)C2 ZINC001203685770 1027529566 /nfs/dbraw/zinc/52/95/66/1027529566.db2.gz CPNHHRIMHTZFCX-ICSRJNTNSA-N 2 2 382.470 3.886 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1C(F)(F)F)C2 ZINC001203685770 1027529574 /nfs/dbraw/zinc/52/95/74/1027529574.db2.gz CPNHHRIMHTZFCX-ICSRJNTNSA-N 2 2 382.470 3.886 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1C(F)(F)F)C2 ZINC001203685770 1027529579 /nfs/dbraw/zinc/52/95/79/1027529579.db2.gz CPNHHRIMHTZFCX-ICSRJNTNSA-N 2 2 382.470 3.886 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1C(F)(F)F)C2 ZINC001203685770 1027529589 /nfs/dbraw/zinc/52/95/89/1027529589.db2.gz CPNHHRIMHTZFCX-ICSRJNTNSA-N 2 2 382.470 3.886 20 0 GHADLP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001203712660 1027547813 /nfs/dbraw/zinc/54/78/13/1027547813.db2.gz KIYPASXNZJCKCM-UHFFFAOYSA-N 2 2 387.568 3.949 20 0 GHADLP Cc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)s1 ZINC001204035671 1027825135 /nfs/dbraw/zinc/82/51/35/1027825135.db2.gz PBZYHFQVPVSONC-INIZCTEOSA-N 2 2 379.570 3.620 20 0 GHADLP Cc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)s1 ZINC001204035671 1027825159 /nfs/dbraw/zinc/82/51/59/1027825159.db2.gz PBZYHFQVPVSONC-INIZCTEOSA-N 2 2 379.570 3.620 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cc3ccccc3n(C)c2=O)c(C)c1 ZINC001461368767 1069521119 /nfs/dbraw/zinc/52/11/19/1069521119.db2.gz IJLFRNWMIHLFGX-JOCHJYFZSA-N 2 2 386.499 3.883 20 0 GHADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc(Br)c1SC(C)(C)C ZINC001461371005 1069521913 /nfs/dbraw/zinc/52/19/13/1069521913.db2.gz WWDKRTGRLURKRL-QGZVFWFLSA-N 2 2 389.403 3.742 20 0 GHADLP c1cn(-c2csc(C[NH2+]Cc3ccc(COC4CCOCC4)cc3)c2)c[nH+]1 ZINC001461369155 1069521945 /nfs/dbraw/zinc/52/19/45/1069521945.db2.gz XKWOYARYFQVNGD-UHFFFAOYSA-N 2 2 383.517 3.919 20 0 GHADLP COc1cc(N2CC[NH2+]CC2)ccc1Nc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001213884027 1028428643 /nfs/dbraw/zinc/42/86/43/1028428643.db2.gz HYMIGJYHHOWJDM-UHFFFAOYSA-N 2 2 399.495 3.590 20 0 GHADLP Cc1ccc2ccccc2c1C[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001142380273 1028787329 /nfs/dbraw/zinc/78/73/29/1028787329.db2.gz JFPNITFLOYAXGX-UHFFFAOYSA-N 2 2 389.547 3.784 20 0 GHADLP Cc1ccc2ccccc2c1C[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001142380273 1028787343 /nfs/dbraw/zinc/78/73/43/1028787343.db2.gz JFPNITFLOYAXGX-UHFFFAOYSA-N 2 2 389.547 3.784 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C[C@@](C)(Cc2ccccc2)CC1=O ZINC000842599631 1029405775 /nfs/dbraw/zinc/40/57/75/1029405775.db2.gz AGXRNVRUDKQBJA-QHCPKHFHSA-N 2 2 382.552 3.596 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C[C@@](C)(Cc2ccccc2)CC1=O ZINC000842599631 1029405788 /nfs/dbraw/zinc/40/57/88/1029405788.db2.gz AGXRNVRUDKQBJA-QHCPKHFHSA-N 2 2 382.552 3.596 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1)n1cc[nH+]c1 ZINC001142900862 1029660693 /nfs/dbraw/zinc/66/06/93/1029660693.db2.gz QZXGARAQSFHWJM-YPAWHYETSA-N 2 2 380.536 3.738 20 0 GHADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cc(-c5ccccc5)nn4C)C[C@@H]3C2)cc1 ZINC001143009779 1029779716 /nfs/dbraw/zinc/77/97/16/1029779716.db2.gz UDSKPANJPWSIHI-GOTSBHOMSA-N 2 2 386.543 3.959 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143022062 1029787668 /nfs/dbraw/zinc/78/76/68/1029787668.db2.gz LNTDFHXKEJMMST-UHFFFAOYSA-N 2 2 384.524 3.947 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc5[nH+]ccn5c4)CC3)C2)cc1 ZINC001143026116 1029789514 /nfs/dbraw/zinc/78/95/14/1029789514.db2.gz YBCYMAJTOYTLSY-UHFFFAOYSA-N 3 2 390.531 3.510 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5[nH+]ccn5c4)CC3)C2)cc1 ZINC001143026116 1029789521 /nfs/dbraw/zinc/78/95/21/1029789521.db2.gz YBCYMAJTOYTLSY-UHFFFAOYSA-N 3 2 390.531 3.510 20 0 GHADLP Brc1c2ccccc2sc1C[N@@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001222186745 1029993352 /nfs/dbraw/zinc/99/33/52/1029993352.db2.gz QCOIAQSGSOSRSP-UHFFFAOYSA-N 2 2 381.339 3.618 20 0 GHADLP Brc1c2ccccc2sc1C[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001222186745 1029993359 /nfs/dbraw/zinc/99/33/59/1029993359.db2.gz QCOIAQSGSOSRSP-UHFFFAOYSA-N 2 2 381.339 3.618 20 0 GHADLP Oc1ccc(F)c(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222582578 1030210248 /nfs/dbraw/zinc/21/02/48/1030210248.db2.gz CZDYACLOUSRCES-FQEVSTJZSA-N 2 2 384.495 3.835 20 0 GHADLP Oc1ccc(F)c(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222582578 1030210258 /nfs/dbraw/zinc/21/02/58/1030210258.db2.gz CZDYACLOUSRCES-FQEVSTJZSA-N 2 2 384.495 3.835 20 0 GHADLP C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461658278 1069662364 /nfs/dbraw/zinc/66/23/64/1069662364.db2.gz VZCNPCZJEQYVGP-MJGOQNOKSA-N 2 2 375.557 3.885 20 0 GHADLP C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461658278 1069662369 /nfs/dbraw/zinc/66/23/69/1069662369.db2.gz VZCNPCZJEQYVGP-MJGOQNOKSA-N 2 2 375.557 3.885 20 0 GHADLP C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461658285 1069662410 /nfs/dbraw/zinc/66/24/10/1069662410.db2.gz VZCNPCZJEQYVGP-PKOBYXMFSA-N 2 2 375.557 3.885 20 0 GHADLP C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461658285 1069662414 /nfs/dbraw/zinc/66/24/14/1069662414.db2.gz VZCNPCZJEQYVGP-PKOBYXMFSA-N 2 2 375.557 3.885 20 0 GHADLP C[C@H](CCNC(=O)N1CCC(Nc2cccc[nH+]2)CC1)[N@H+](C)Cc1ccccc1 ZINC001223088028 1030432548 /nfs/dbraw/zinc/43/25/48/1030432548.db2.gz INOHDTOHPVFHAR-LJQANCHMSA-N 2 2 395.551 3.578 20 0 GHADLP C[C@H](CCNC(=O)N1CCC(Nc2cccc[nH+]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC001223088028 1030432555 /nfs/dbraw/zinc/43/25/55/1030432555.db2.gz INOHDTOHPVFHAR-LJQANCHMSA-N 2 2 395.551 3.578 20 0 GHADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(Br)cc(OC(F)(F)F)c2)C1 ZINC001206633071 1030460637 /nfs/dbraw/zinc/46/06/37/1030460637.db2.gz SHYTVPGFSBFBJT-LLVKDONJSA-N 2 2 381.236 3.909 20 0 GHADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(Br)cc(OC(F)(F)F)c2)C1 ZINC001206633071 1030460643 /nfs/dbraw/zinc/46/06/43/1030460643.db2.gz SHYTVPGFSBFBJT-LLVKDONJSA-N 2 2 381.236 3.909 20 0 GHADLP Cc1cccc(C2(C(=O)Nc3cc(N4CC[NH+](C)CC4)cc[nH+]3)CCCCC2)c1 ZINC001151291214 1030847452 /nfs/dbraw/zinc/84/74/52/1030847452.db2.gz SOASVVZZHRMULY-UHFFFAOYSA-N 2 2 392.547 3.982 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1 ZINC001219070090 1031240547 /nfs/dbraw/zinc/24/05/47/1031240547.db2.gz NKSWGUZGINMTBF-LJQANCHMSA-N 2 2 396.878 3.525 20 0 GHADLP [NH3+]C1(C(=O)Nc2ccc(-n3c4ccccc4c4ccccc43)cc2)CC[NH2+]CC1 ZINC001219398707 1031398238 /nfs/dbraw/zinc/39/82/38/1031398238.db2.gz UFWCYJFGKGUCDR-UHFFFAOYSA-N 2 2 384.483 3.803 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1[NH2+]Cc2ccccc21)c1ccc(Cl)cc1Cl ZINC001220532355 1031979482 /nfs/dbraw/zinc/97/94/82/1031979482.db2.gz GWHIMISWHJHFKT-ZWKOTPCHSA-N 2 2 378.303 3.557 20 0 GHADLP C[NH+](C)CCc1ccc(O[C@@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)cc1 ZINC001229660447 1033621732 /nfs/dbraw/zinc/62/17/32/1033621732.db2.gz UALBCUNOMWUGSD-QGZVFWFLSA-N 2 2 379.957 3.944 20 0 GHADLP C[NH+](C)CCc1ccc(O[C@@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)cc1 ZINC001229660447 1033621736 /nfs/dbraw/zinc/62/17/36/1033621736.db2.gz UALBCUNOMWUGSD-QGZVFWFLSA-N 2 2 379.957 3.944 20 0 GHADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1Br ZINC001205914567 1033634303 /nfs/dbraw/zinc/63/43/03/1033634303.db2.gz NBJIKCNPGAHLOZ-GHMZBOCLSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1Br ZINC001205914567 1033634307 /nfs/dbraw/zinc/63/43/07/1033634307.db2.gz NBJIKCNPGAHLOZ-GHMZBOCLSA-N 2 2 381.236 3.907 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4cnn([C@H]5CCCCO5)c4c3)cc2)C1 ZINC001206672484 1033939783 /nfs/dbraw/zinc/93/97/83/1033939783.db2.gz AWNWIZXKGNIJGB-JTHBVZDNSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4cnn([C@H]5CCCCO5)c4c3)cc2)C1 ZINC001206672484 1033939786 /nfs/dbraw/zinc/93/97/86/1033939786.db2.gz AWNWIZXKGNIJGB-JTHBVZDNSA-N 2 2 376.504 3.935 20 0 GHADLP Fc1ccc([C@@H]2CSCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001206717163 1033956881 /nfs/dbraw/zinc/95/68/81/1033956881.db2.gz MLJADYMCWNGSMJ-QFIPXVFZSA-N 2 2 386.536 3.948 20 0 GHADLP Fc1ccc([C@@H]2CSCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001206717163 1033956887 /nfs/dbraw/zinc/95/68/87/1033956887.db2.gz MLJADYMCWNGSMJ-QFIPXVFZSA-N 2 2 386.536 3.948 20 0 GHADLP c1nc2n(c1C[NH+]1CCCCC1)CC[N@@H+](Cc1cc(-c3ccccc3)on1)CC2 ZINC001206842795 1034027762 /nfs/dbraw/zinc/02/77/62/1034027762.db2.gz XXBHPIIDPKYKHQ-UHFFFAOYSA-N 2 2 391.519 3.582 20 0 GHADLP c1nc2n(c1C[NH+]1CCCCC1)CC[N@H+](Cc1cc(-c3ccccc3)on1)CC2 ZINC001206842795 1034027781 /nfs/dbraw/zinc/02/77/81/1034027781.db2.gz XXBHPIIDPKYKHQ-UHFFFAOYSA-N 2 2 391.519 3.582 20 0 GHADLP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ncc(F)cc1F)CC2 ZINC001207095390 1034089268 /nfs/dbraw/zinc/08/92/68/1034089268.db2.gz UAYIHVIVFHAWOB-MRXNPFEDSA-N 2 2 393.503 3.677 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ncc(F)cc1F)CC2 ZINC001207095390 1034089279 /nfs/dbraw/zinc/08/92/79/1034089279.db2.gz UAYIHVIVFHAWOB-MRXNPFEDSA-N 2 2 393.503 3.677 20 0 GHADLP C[NH+]1CCN(c2cccc(N[C@H](CCO)c3cccc4ccccc43)[nH+]2)CC1 ZINC001158509069 1034116681 /nfs/dbraw/zinc/11/66/81/1034116681.db2.gz HKVTVMZIXIJCEF-OAQYLSRUSA-N 2 2 376.504 3.522 20 0 GHADLP FC1(F)CN(CC2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH+]1CCCC1 ZINC001207295454 1034248833 /nfs/dbraw/zinc/24/88/33/1034248833.db2.gz QZOMASYUJQCRHX-OAQYLSRUSA-N 2 2 377.523 3.704 20 0 GHADLP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)CC1 ZINC001207373008 1034314195 /nfs/dbraw/zinc/31/41/95/1034314195.db2.gz WTXCILYVFZMUKC-IBGZPJMESA-N 2 2 386.584 3.714 20 0 GHADLP COc1cccc(CC[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)c1 ZINC001207427113 1034361411 /nfs/dbraw/zinc/36/14/11/1034361411.db2.gz RIALQCXWKYOOBT-UHFFFAOYSA-N 2 2 383.536 3.973 20 0 GHADLP COc1cccc(CC[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)c1 ZINC001207427113 1034361413 /nfs/dbraw/zinc/36/14/13/1034361413.db2.gz RIALQCXWKYOOBT-UHFFFAOYSA-N 2 2 383.536 3.973 20 0 GHADLP Nc1[nH+]cnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1=CCC[NH2+]C1 ZINC001159255074 1034505197 /nfs/dbraw/zinc/50/51/97/1034505197.db2.gz WXJZVKQTPDGHRY-UHFFFAOYSA-N 2 2 384.443 3.702 20 0 GHADLP COC(=O)c1ccc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)cc1C(F)(F)F ZINC001159323629 1034545315 /nfs/dbraw/zinc/54/53/15/1034545315.db2.gz NSCGLXXRGVBGRV-UHFFFAOYSA-N 2 2 394.397 3.558 20 0 GHADLP COCC[N@H+](Cc1ccc(Br)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001231435206 1034583046 /nfs/dbraw/zinc/58/30/46/1034583046.db2.gz BLKCOKKCGZYLEE-UHFFFAOYSA-N 2 2 375.738 3.645 20 0 GHADLP COCC[N@@H+](Cc1ccc(Br)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001231435206 1034583054 /nfs/dbraw/zinc/58/30/54/1034583054.db2.gz BLKCOKKCGZYLEE-UHFFFAOYSA-N 2 2 375.738 3.645 20 0 GHADLP CN(C)c1ccc2cc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccc2c1 ZINC001231441179 1034589822 /nfs/dbraw/zinc/58/98/22/1034589822.db2.gz OWQLUKHDJPSKNQ-ZEQRLZLVSA-N 2 2 386.543 3.865 20 0 GHADLP Cn1cc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c(C2CCOCC2)n1 ZINC001207823288 1034599517 /nfs/dbraw/zinc/59/95/17/1034599517.db2.gz IZKICPJWDXMKIN-SFHVURJKSA-N 2 2 385.556 3.645 20 0 GHADLP Cn1cc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c(C2CCOCC2)n1 ZINC001207823288 1034599529 /nfs/dbraw/zinc/59/95/29/1034599529.db2.gz IZKICPJWDXMKIN-SFHVURJKSA-N 2 2 385.556 3.645 20 0 GHADLP C[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001207827285 1034605338 /nfs/dbraw/zinc/60/53/38/1034605338.db2.gz JEVXQKYBNHBKMZ-RDJZCZTQSA-N 2 2 398.498 3.658 20 0 GHADLP Cc1ccc(-c2ccc(C[NH+]3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)cc2)o1 ZINC001231596048 1034750513 /nfs/dbraw/zinc/75/05/13/1034750513.db2.gz GILLZMIYDAUZPD-PKTZIBPZSA-N 2 2 390.531 3.942 20 0 GHADLP Cc1ccc(-c2ccc(C[NH+]3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)cc2)o1 ZINC001231596048 1034750527 /nfs/dbraw/zinc/75/05/27/1034750527.db2.gz GILLZMIYDAUZPD-PKTZIBPZSA-N 2 2 390.531 3.942 20 0 GHADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@H]4CC[NH+](Cc5cnn(C)c5)C[C@H]4C3)cc2)o1 ZINC001231596048 1034750541 /nfs/dbraw/zinc/75/05/41/1034750541.db2.gz GILLZMIYDAUZPD-PKTZIBPZSA-N 2 2 390.531 3.942 20 0 GHADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]4CC[NH+](Cc5cnn(C)c5)C[C@H]4C3)cc2)o1 ZINC001231596048 1034750556 /nfs/dbraw/zinc/75/05/56/1034750556.db2.gz GILLZMIYDAUZPD-PKTZIBPZSA-N 2 2 390.531 3.942 20 0 GHADLP CC(C)Oc1ncccc1C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001231758053 1034890933 /nfs/dbraw/zinc/89/09/33/1034890933.db2.gz JSWSMPPDVKITDM-HXUWFJFHSA-N 2 2 399.535 3.717 20 0 GHADLP CC(C)Oc1ncccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001231758053 1034890934 /nfs/dbraw/zinc/89/09/34/1034890934.db2.gz JSWSMPPDVKITDM-HXUWFJFHSA-N 2 2 399.535 3.717 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3SC)CC2)C1 ZINC001231782394 1034905743 /nfs/dbraw/zinc/90/57/43/1034905743.db2.gz JCMBVKNPBVTUDO-SFHVURJKSA-N 2 2 376.566 3.648 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3SC)CC2)C1 ZINC001231782394 1034905747 /nfs/dbraw/zinc/90/57/47/1034905747.db2.gz JCMBVKNPBVTUDO-SFHVURJKSA-N 2 2 376.566 3.648 20 0 GHADLP CCCCc1ccc(C[N@@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)cc1 ZINC001231782645 1034906359 /nfs/dbraw/zinc/90/63/59/1034906359.db2.gz YFHLXXDUPJZFND-UHFFFAOYSA-N 2 2 396.579 3.832 20 0 GHADLP CCCCc1ccc(C[N@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)cc1 ZINC001231782645 1034906361 /nfs/dbraw/zinc/90/63/61/1034906361.db2.gz YFHLXXDUPJZFND-UHFFFAOYSA-N 2 2 396.579 3.832 20 0 GHADLP CCCCc1ccc(C[NH+]2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)cc1 ZINC001231782645 1034906363 /nfs/dbraw/zinc/90/63/63/1034906363.db2.gz YFHLXXDUPJZFND-UHFFFAOYSA-N 2 2 396.579 3.832 20 0 GHADLP CCCCc1ccc(C[NH+]2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)cc1 ZINC001231782645 1034906366 /nfs/dbraw/zinc/90/63/66/1034906366.db2.gz YFHLXXDUPJZFND-UHFFFAOYSA-N 2 2 396.579 3.832 20 0 GHADLP Cc1nc(-c2ccccc2)ncc1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001231798919 1034916128 /nfs/dbraw/zinc/91/61/28/1034916128.db2.gz WXSDAUZHGQMGKF-XMMPIXPASA-N 2 2 394.563 3.775 20 0 GHADLP Cc1nc(-c2ccccc2)ncc1C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001231798919 1034916132 /nfs/dbraw/zinc/91/61/32/1034916132.db2.gz WXSDAUZHGQMGKF-XMMPIXPASA-N 2 2 394.563 3.775 20 0 GHADLP Cc1nc(-c2ccccc2)ncc1C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001231798919 1034916137 /nfs/dbraw/zinc/91/61/37/1034916137.db2.gz WXSDAUZHGQMGKF-XMMPIXPASA-N 2 2 394.563 3.775 20 0 GHADLP Cc1nc(-c2ccccc2)ncc1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001231798919 1034916140 /nfs/dbraw/zinc/91/61/40/1034916140.db2.gz WXSDAUZHGQMGKF-XMMPIXPASA-N 2 2 394.563 3.775 20 0 GHADLP C[NH+](C)CCOc1cccc(Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)c1 ZINC001160348222 1034948604 /nfs/dbraw/zinc/94/86/04/1034948604.db2.gz LOMWTMQBHNVUMZ-FQEVSTJZSA-N 2 2 391.462 3.747 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C(F)(F)F)cc3C)CC2)C1 ZINC001232004671 1035037057 /nfs/dbraw/zinc/03/70/57/1035037057.db2.gz DYYZMEIMXHRATK-QGZVFWFLSA-N 2 2 398.469 3.863 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C(F)(F)F)cc3C)CC2)C1 ZINC001232004671 1035037063 /nfs/dbraw/zinc/03/70/63/1035037063.db2.gz DYYZMEIMXHRATK-QGZVFWFLSA-N 2 2 398.469 3.863 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001232014436 1035044780 /nfs/dbraw/zinc/04/47/80/1035044780.db2.gz IGCJROOVEXLLAO-FRGLQRNOSA-N 3 2 375.520 3.690 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001232014436 1035044790 /nfs/dbraw/zinc/04/47/90/1035044790.db2.gz IGCJROOVEXLLAO-FRGLQRNOSA-N 3 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001232014436 1035044797 /nfs/dbraw/zinc/04/47/97/1035044797.db2.gz IGCJROOVEXLLAO-FRGLQRNOSA-N 3 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001232014436 1035044805 /nfs/dbraw/zinc/04/48/05/1035044805.db2.gz IGCJROOVEXLLAO-FRGLQRNOSA-N 3 2 375.520 3.690 20 0 GHADLP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001232014436 1035044814 /nfs/dbraw/zinc/04/48/14/1035044814.db2.gz IGCJROOVEXLLAO-FRGLQRNOSA-N 2 2 375.520 3.690 20 0 GHADLP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001232014436 1035044822 /nfs/dbraw/zinc/04/48/22/1035044822.db2.gz IGCJROOVEXLLAO-FRGLQRNOSA-N 2 2 375.520 3.690 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H]1C(F)(F)F ZINC001232018372 1035047046 /nfs/dbraw/zinc/04/70/46/1035047046.db2.gz JPTVLEGVXOGKQN-ZBFHGGJFSA-N 2 2 398.429 3.840 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H]1C(F)(F)F ZINC001232018372 1035047055 /nfs/dbraw/zinc/04/70/55/1035047055.db2.gz JPTVLEGVXOGKQN-ZBFHGGJFSA-N 2 2 398.429 3.840 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](CCCc3ccccc3C(F)(F)F)CC2)c1 ZINC001208834368 1035048563 /nfs/dbraw/zinc/04/85/63/1035048563.db2.gz GDUAIXKWYRAPPR-UHFFFAOYSA-N 2 2 379.426 3.864 20 0 GHADLP CCCCN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001160921894 1035094023 /nfs/dbraw/zinc/09/40/23/1035094023.db2.gz PKFCKADYLZLTKJ-RDTXWAMCSA-N 2 2 396.457 3.558 20 0 GHADLP Cc1cccc(OCC[N@@H+](C)Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)c1 ZINC001461939716 1069904076 /nfs/dbraw/zinc/90/40/76/1069904076.db2.gz KSUHLOKIIYMXIO-UHFFFAOYSA-N 2 2 392.446 3.889 20 0 GHADLP Cc1cccc(OCC[N@H+](C)Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)c1 ZINC001461939716 1069904085 /nfs/dbraw/zinc/90/40/85/1069904085.db2.gz KSUHLOKIIYMXIO-UHFFFAOYSA-N 2 2 392.446 3.889 20 0 GHADLP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001208952514 1035125488 /nfs/dbraw/zinc/12/54/88/1035125488.db2.gz JUZPOTAPUDTQQU-SVFBPWRDSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1C[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001208952514 1035125493 /nfs/dbraw/zinc/12/54/93/1035125493.db2.gz JUZPOTAPUDTQQU-SVFBPWRDSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1C[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001208952514 1035125497 /nfs/dbraw/zinc/12/54/97/1035125497.db2.gz JUZPOTAPUDTQQU-SVFBPWRDSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1C[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001208952514 1035125500 /nfs/dbraw/zinc/12/55/00/1035125500.db2.gz JUZPOTAPUDTQQU-SVFBPWRDSA-N 2 2 387.568 3.838 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3CC[NH+](C[C@H]4CC[N@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208956852 1035129332 /nfs/dbraw/zinc/12/93/32/1035129332.db2.gz JCCGOZDHPFSDGR-NXCFDTQHSA-N 3 2 389.587 3.962 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3CC[NH+](C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208956852 1035129344 /nfs/dbraw/zinc/12/93/44/1035129344.db2.gz JCCGOZDHPFSDGR-NXCFDTQHSA-N 3 2 389.587 3.962 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)C2)cc1 ZINC001208956852 1035129352 /nfs/dbraw/zinc/12/93/52/1035129352.db2.gz JCCGOZDHPFSDGR-NXCFDTQHSA-N 3 2 389.587 3.962 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)C2)cc1 ZINC001208956852 1035129368 /nfs/dbraw/zinc/12/93/68/1035129368.db2.gz JCCGOZDHPFSDGR-NXCFDTQHSA-N 3 2 389.587 3.962 20 0 GHADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](CCc1c(Cl)cccc1Cl)C2 ZINC001209112483 1035178996 /nfs/dbraw/zinc/17/89/96/1035178996.db2.gz RYBQIYMPNXRDJY-UHFFFAOYSA-N 2 2 396.366 3.874 20 0 GHADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](CCc1c(Cl)cccc1Cl)C2 ZINC001209112483 1035178999 /nfs/dbraw/zinc/17/89/99/1035178999.db2.gz RYBQIYMPNXRDJY-UHFFFAOYSA-N 2 2 396.366 3.874 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](CCc1c(Cl)cccc1Cl)C2 ZINC001209112483 1035179005 /nfs/dbraw/zinc/17/90/05/1035179005.db2.gz RYBQIYMPNXRDJY-UHFFFAOYSA-N 2 2 396.366 3.874 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](CCc1c(Cl)cccc1Cl)C2 ZINC001209112483 1035179008 /nfs/dbraw/zinc/17/90/08/1035179008.db2.gz RYBQIYMPNXRDJY-UHFFFAOYSA-N 2 2 396.366 3.874 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](CCCCOCc1ccccc1)CC2 ZINC001209254705 1035223527 /nfs/dbraw/zinc/22/35/27/1035223527.db2.gz VAUSBUJEZXETPJ-UHFFFAOYSA-N 2 2 384.568 3.881 20 0 GHADLP C[C@@H]1CC(C[NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)C[C@@H](C)O1 ZINC001209400106 1035269200 /nfs/dbraw/zinc/26/92/00/1035269200.db2.gz XGMPCXUADLVKIT-CHWSQXEVSA-N 2 2 378.314 3.700 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC001209611195 1035329915 /nfs/dbraw/zinc/32/99/15/1035329915.db2.gz PJEIRXCSZYMVQA-HXUWFJFHSA-N 2 2 383.536 3.762 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC001209611195 1035329924 /nfs/dbraw/zinc/32/99/24/1035329924.db2.gz PJEIRXCSZYMVQA-HXUWFJFHSA-N 2 2 383.536 3.762 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC001209611195 1035329929 /nfs/dbraw/zinc/32/99/29/1035329929.db2.gz PJEIRXCSZYMVQA-HXUWFJFHSA-N 2 2 383.536 3.762 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC001209611195 1035329932 /nfs/dbraw/zinc/32/99/32/1035329932.db2.gz PJEIRXCSZYMVQA-HXUWFJFHSA-N 2 2 383.536 3.762 20 0 GHADLP COCC[N@H+](Cc1ccc2nc(Br)sc2c1)C1CC[NH+](C)CC1 ZINC001248588963 1035975158 /nfs/dbraw/zinc/97/51/58/1035975158.db2.gz BUUFIPNIDQLFBA-UHFFFAOYSA-N 2 2 398.370 3.601 20 0 GHADLP COCC[N@@H+](Cc1ccc2nc(Br)sc2c1)C1CC[NH+](C)CC1 ZINC001248588963 1035975162 /nfs/dbraw/zinc/97/51/62/1035975162.db2.gz BUUFIPNIDQLFBA-UHFFFAOYSA-N 2 2 398.370 3.601 20 0 GHADLP Cc1cc(C[NH+]2CCC([N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)cs1 ZINC001248804669 1036175471 /nfs/dbraw/zinc/17/54/71/1036175471.db2.gz PWRBKDXQGRZFGB-KRWDZBQOSA-N 2 2 379.570 3.620 20 0 GHADLP Cc1cc(C[NH+]2CCC([N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)cs1 ZINC001248804669 1036175482 /nfs/dbraw/zinc/17/54/82/1036175482.db2.gz PWRBKDXQGRZFGB-KRWDZBQOSA-N 2 2 379.570 3.620 20 0 GHADLP Cc1nc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)ccc1Cl ZINC001248870126 1036215229 /nfs/dbraw/zinc/21/52/29/1036215229.db2.gz STTGLYUDWPZHBR-GOSISDBHSA-N 2 2 389.927 3.892 20 0 GHADLP Cc1nc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)ccc1Cl ZINC001248870126 1036215240 /nfs/dbraw/zinc/21/52/40/1036215240.db2.gz STTGLYUDWPZHBR-GOSISDBHSA-N 2 2 389.927 3.892 20 0 GHADLP Fc1cc(OCC[NH+]2CCOCC2)ccc1-c1ccccc1C[NH+]1CCCC1 ZINC001244135835 1036390528 /nfs/dbraw/zinc/39/05/28/1036390528.db2.gz CZBCRKBXGPNCGI-UHFFFAOYSA-N 2 2 384.495 3.800 20 0 GHADLP Cc1sc2nc(C[NH+](C)C)nc(C3=CC[C@@H]([NH+]4CCOCC4)CC3)c2c1C ZINC001245418595 1036915749 /nfs/dbraw/zinc/91/57/49/1036915749.db2.gz KJNKCHSTZRCHQU-QGZVFWFLSA-N 2 2 386.565 3.638 20 0 GHADLP O[C@@H](C[NH2+]C1(c2cccc(Cl)c2)CC[NH2+]CC1)COc1ccc(Cl)cc1 ZINC001246007034 1037126075 /nfs/dbraw/zinc/12/60/75/1037126075.db2.gz NTFBQTJGUHDCRE-SFHVURJKSA-N 2 2 395.330 3.602 20 0 GHADLP O[C@H](C[NH2+][C@H]1C[C@@H]2C[NH2+][C@H]1C2)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001246013545 1037133072 /nfs/dbraw/zinc/13/30/72/1037133072.db2.gz FWMXRLVDFQSNQD-JSJLGNTGSA-N 2 2 389.326 3.938 20 0 GHADLP CC(C)[N@H+](C[C@@H](O)COc1cccc2[nH]c3ccccc3c21)[C@@H]1CCC[NH2+]C1 ZINC001246070052 1037186490 /nfs/dbraw/zinc/18/64/90/1037186490.db2.gz QEHBKPMLVNFEGP-QZTJIDSGSA-N 2 2 381.520 3.523 20 0 GHADLP CC(C)[N@@H+](C[C@@H](O)COc1cccc2[nH]c3ccccc3c21)[C@@H]1CCC[NH2+]C1 ZINC001246070052 1037186491 /nfs/dbraw/zinc/18/64/91/1037186491.db2.gz QEHBKPMLVNFEGP-QZTJIDSGSA-N 2 2 381.520 3.523 20 0 GHADLP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246241423 1037249921 /nfs/dbraw/zinc/24/99/21/1037249921.db2.gz MIVCQTJNECOZAM-CJNGLKHVSA-N 2 2 390.446 3.555 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3NC2=O)CC[NH2+]1 ZINC001246324772 1037296133 /nfs/dbraw/zinc/29/61/33/1037296133.db2.gz HFPBAJGOYSATBI-LSTHTHJFSA-N 2 2 387.886 3.734 20 0 GHADLP OC(c1ccccc1)(c1ccccc1)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246411553 1037368082 /nfs/dbraw/zinc/36/80/82/1037368082.db2.gz RAIXCBJCWIZJSW-JWQCQUIFSA-N 2 2 386.539 3.875 20 0 GHADLP COC(=O)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC001246527743 1037461131 /nfs/dbraw/zinc/46/11/31/1037461131.db2.gz VBPZHIFJFQLAPP-LPHOPBHVSA-N 2 2 393.314 3.927 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246625740 1037515034 /nfs/dbraw/zinc/51/50/34/1037515034.db2.gz SQLUISSXJBHVTO-ZEQRLZLVSA-N 3 2 375.560 3.730 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H]([NH+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246625740 1037515048 /nfs/dbraw/zinc/51/50/48/1037515048.db2.gz SQLUISSXJBHVTO-ZEQRLZLVSA-N 3 2 375.560 3.730 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246625740 1037515068 /nfs/dbraw/zinc/51/50/68/1037515068.db2.gz SQLUISSXJBHVTO-ZEQRLZLVSA-N 3 2 375.560 3.730 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H]([N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246625740 1037515076 /nfs/dbraw/zinc/51/50/76/1037515076.db2.gz SQLUISSXJBHVTO-ZEQRLZLVSA-N 3 2 375.560 3.730 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+]([C@@H]4CC[NH2+][C@H](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001246707358 1037558606 /nfs/dbraw/zinc/55/86/06/1037558606.db2.gz GLNRCIXIGSJYBV-VEYUFSJPSA-N 3 2 389.587 3.722 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)CC[NH2+]1 ZINC001246749931 1037590442 /nfs/dbraw/zinc/59/04/42/1037590442.db2.gz FKYAQCVFMGRIAS-DBXWQHBBSA-N 2 2 375.582 3.878 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)CC[NH2+]1 ZINC001246749931 1037590452 /nfs/dbraw/zinc/59/04/52/1037590452.db2.gz FKYAQCVFMGRIAS-DBXWQHBBSA-N 2 2 375.582 3.878 20 0 GHADLP CC(C)(C)[C@@H]1C[C@H]([NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC001246891915 1037705724 /nfs/dbraw/zinc/70/57/24/1037705724.db2.gz NYUCFUBONHSVCN-MOPGFXCFSA-N 2 2 383.502 3.990 20 0 GHADLP c1ccc(C[NH+](Cc2ccccc2)C2CCC([N@@H+]3C[C@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC001246922318 1037728551 /nfs/dbraw/zinc/72/85/51/1037728551.db2.gz VRGBIXOHDOWWQN-OVVICAPSSA-N 3 2 375.560 3.904 20 0 GHADLP c1ccc(C[NH+](Cc2ccccc2)C2CCC([N@H+]3C[C@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC001246922318 1037728565 /nfs/dbraw/zinc/72/85/65/1037728565.db2.gz VRGBIXOHDOWWQN-OVVICAPSSA-N 3 2 375.560 3.904 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246953369 1037757737 /nfs/dbraw/zinc/75/77/37/1037757737.db2.gz BNTLTNRYIARKDM-DNVCBOLYSA-N 2 2 380.479 3.641 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246953369 1037757758 /nfs/dbraw/zinc/75/77/58/1037757758.db2.gz BNTLTNRYIARKDM-DNVCBOLYSA-N 2 2 380.479 3.641 20 0 GHADLP O=C(N[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1)c1ccc(F)cc1 ZINC001246956631 1037768378 /nfs/dbraw/zinc/76/83/78/1037768378.db2.gz ZXIXOEUKGJCMEA-BHIFYINESA-N 2 2 381.495 3.513 20 0 GHADLP O=C(N[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1)c1ccc(F)cc1 ZINC001246956631 1037768400 /nfs/dbraw/zinc/76/84/00/1037768400.db2.gz ZXIXOEUKGJCMEA-BHIFYINESA-N 2 2 381.495 3.513 20 0 GHADLP Fc1cccc(F)c1C[N@H+](C1CC[NH2+]CC1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246962188 1037782462 /nfs/dbraw/zinc/78/24/62/1037782462.db2.gz ITKTURAJGVRQNP-UHFFFAOYSA-N 3 2 377.523 3.831 20 0 GHADLP Fc1cccc(F)c1C[N@@H+](C1CC[NH2+]CC1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246962188 1037782478 /nfs/dbraw/zinc/78/24/78/1037782478.db2.gz ITKTURAJGVRQNP-UHFFFAOYSA-N 3 2 377.523 3.831 20 0 GHADLP COc1ccc(OC2CC[NH+]([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)nc1 ZINC001246971257 1037794279 /nfs/dbraw/zinc/79/42/79/1037794279.db2.gz BQBHUSJWJCQBCF-GCJKJVERSA-N 2 2 399.510 3.874 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)n1 ZINC001246975446 1037800290 /nfs/dbraw/zinc/80/02/90/1037800290.db2.gz UBUCWKRJRXKMSE-QKNQBKEWSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)n1 ZINC001246975446 1037800310 /nfs/dbraw/zinc/80/03/10/1037800310.db2.gz UBUCWKRJRXKMSE-QKNQBKEWSA-N 2 2 384.499 3.569 20 0 GHADLP CC[C@@H]1C[C@H]([NH+]2CCN([C@@H](C)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001247018167 1037840045 /nfs/dbraw/zinc/84/00/45/1037840045.db2.gz WFQZNYWUXOJHEJ-KFKAGJAMSA-N 2 2 380.374 3.658 20 0 GHADLP [NH3+][C@H](Cc1cccs1)c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001247162565 1037956635 /nfs/dbraw/zinc/95/66/35/1037956635.db2.gz SPRDOQNJXUQRRH-QZTJIDSGSA-N 2 2 395.463 3.912 20 0 GHADLP Cc1ncsc1-c1ccc(-c2noc(-c3ccc([C@H]([NH3+])C[NH3+])cc3)n2)cc1 ZINC001247697870 1038337368 /nfs/dbraw/zinc/33/73/68/1038337368.db2.gz HDXGNVIAPZYOBV-QGZVFWFLSA-N 2 2 377.473 3.794 20 0 GHADLP Cc1cc(-c2noc(-c3ccc([C@@H]([NH3+])C[NH3+])cc3)n2)c(Br)cc1F ZINC001247702429 1038340928 /nfs/dbraw/zinc/34/09/28/1038340928.db2.gz YCZKMTZUBXEGQX-HNNXBMFYSA-N 2 2 391.244 3.572 20 0 GHADLP Clc1cc(Br)ccc1-c1noc([C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001247860847 1038431441 /nfs/dbraw/zinc/43/14/41/1038431441.db2.gz MRMRUDZICJFLBC-CYBMUJFWSA-N 2 2 397.704 3.699 20 0 GHADLP Clc1cccc(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c1Br ZINC001247868300 1038437894 /nfs/dbraw/zinc/43/78/94/1038437894.db2.gz ORIWTCVOXIPKSI-GFCCVEGCSA-N 2 2 397.704 3.699 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001232708738 1038507829 /nfs/dbraw/zinc/50/78/29/1038507829.db2.gz IMMGKHFFNQUXIS-WOJBJXKFSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001232708738 1038507838 /nfs/dbraw/zinc/50/78/38/1038507838.db2.gz IMMGKHFFNQUXIS-WOJBJXKFSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001232708738 1038507839 /nfs/dbraw/zinc/50/78/39/1038507839.db2.gz IMMGKHFFNQUXIS-WOJBJXKFSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001232708738 1038507848 /nfs/dbraw/zinc/50/78/48/1038507848.db2.gz IMMGKHFFNQUXIS-WOJBJXKFSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC001232708736 1038508087 /nfs/dbraw/zinc/50/80/87/1038508087.db2.gz IMMGKHFFNQUXIS-UXHICEINSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC001232708736 1038508105 /nfs/dbraw/zinc/50/81/05/1038508105.db2.gz IMMGKHFFNQUXIS-UXHICEINSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC001232708736 1038508117 /nfs/dbraw/zinc/50/81/17/1038508117.db2.gz IMMGKHFFNQUXIS-UXHICEINSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC001232708736 1038508129 /nfs/dbraw/zinc/50/81/29/1038508129.db2.gz IMMGKHFFNQUXIS-UXHICEINSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)ccn1 ZINC001232769586 1038544016 /nfs/dbraw/zinc/54/40/16/1038544016.db2.gz JTESPBHEZZIYAW-FBBABVLZSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)ccn1 ZINC001232769586 1038544022 /nfs/dbraw/zinc/54/40/22/1038544022.db2.gz JTESPBHEZZIYAW-FBBABVLZSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)ccn1 ZINC001232769586 1038544031 /nfs/dbraw/zinc/54/40/31/1038544031.db2.gz JTESPBHEZZIYAW-FBBABVLZSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)ccn1 ZINC001232769586 1038544039 /nfs/dbraw/zinc/54/40/39/1038544039.db2.gz JTESPBHEZZIYAW-FBBABVLZSA-N 2 2 399.560 3.662 20 0 GHADLP Fc1cccc(-c2ccc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)cn2)c1 ZINC001232884717 1038662860 /nfs/dbraw/zinc/66/28/60/1038662860.db2.gz OLEGTMVALYKEPA-FGZHOGPDSA-N 2 2 388.490 3.847 20 0 GHADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cccc(SC(F)(F)F)c1 ZINC001232948054 1038724826 /nfs/dbraw/zinc/72/48/26/1038724826.db2.gz MBMQBXWKMWNJIW-UHFFFAOYSA-N 2 2 378.460 3.615 20 0 GHADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cccc(SC(F)(F)F)c1 ZINC001232948054 1038724832 /nfs/dbraw/zinc/72/48/32/1038724832.db2.gz MBMQBXWKMWNJIW-UHFFFAOYSA-N 2 2 378.460 3.615 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc(OCc2ccccc2)c1OC ZINC001233253573 1039016307 /nfs/dbraw/zinc/01/63/07/1039016307.db2.gz HQKOQZBIWWTOLN-XMMPIXPASA-N 2 2 396.531 3.810 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc(OCc2ccccc2)c1OC ZINC001233253573 1039016324 /nfs/dbraw/zinc/01/63/24/1039016324.db2.gz HQKOQZBIWWTOLN-XMMPIXPASA-N 2 2 396.531 3.810 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc(OCc2ccccc2)c1OC ZINC001233253573 1039016342 /nfs/dbraw/zinc/01/63/42/1039016342.db2.gz HQKOQZBIWWTOLN-XMMPIXPASA-N 2 2 396.531 3.810 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc(OCc2ccccc2)c1OC ZINC001233253573 1039016357 /nfs/dbraw/zinc/01/63/57/1039016357.db2.gz HQKOQZBIWWTOLN-XMMPIXPASA-N 2 2 396.531 3.810 20 0 GHADLP CCC(CC)[N@H+](C[C@H](O)COC(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001252676161 1039076372 /nfs/dbraw/zinc/07/63/72/1039076372.db2.gz RQVSXDLAVGTVFW-QHCPKHFHSA-N 2 2 376.585 3.928 20 0 GHADLP CCC(CC)[N@@H+](C[C@H](O)COC(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001252676161 1039076388 /nfs/dbraw/zinc/07/63/88/1039076388.db2.gz RQVSXDLAVGTVFW-QHCPKHFHSA-N 2 2 376.585 3.928 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC001233362182 1039189583 /nfs/dbraw/zinc/18/95/83/1039189583.db2.gz RGCRUEPTSRBUKB-IBGZPJMESA-N 3 2 396.560 3.651 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC001233362182 1039189587 /nfs/dbraw/zinc/18/95/87/1039189587.db2.gz RGCRUEPTSRBUKB-IBGZPJMESA-N 3 2 396.560 3.651 20 0 GHADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(OC(c2ccccc2)c2ccccc2)CC1 ZINC001253189826 1039468296 /nfs/dbraw/zinc/46/82/96/1039468296.db2.gz LFAUMPZLUIDCQR-HSZRJFAPSA-N 2 2 396.575 3.960 20 0 GHADLP CCCc1noc([C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(OC)c3)C2)n1 ZINC001234075283 1039812274 /nfs/dbraw/zinc/81/22/74/1039812274.db2.gz IELKNFZERHCFBW-QGZVFWFLSA-N 2 2 381.480 3.596 20 0 GHADLP CCCc1noc([C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(OC)c3)C2)n1 ZINC001234075283 1039812295 /nfs/dbraw/zinc/81/22/95/1039812295.db2.gz IELKNFZERHCFBW-QGZVFWFLSA-N 2 2 381.480 3.596 20 0 GHADLP OC1(CNc2ccc(N3CCCCC3)[nH+]c2)CC[NH+](Cc2ccccc2)CC1 ZINC001254030276 1039964248 /nfs/dbraw/zinc/96/42/48/1039964248.db2.gz QZXMLZSMZGERQB-UHFFFAOYSA-N 2 2 380.536 3.511 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001254313185 1040166712 /nfs/dbraw/zinc/16/67/12/1040166712.db2.gz GRCYKHGDSFYHDN-QZTJIDSGSA-N 2 2 375.513 3.633 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001254313185 1040166724 /nfs/dbraw/zinc/16/67/24/1040166724.db2.gz GRCYKHGDSFYHDN-QZTJIDSGSA-N 2 2 375.513 3.633 20 0 GHADLP OCC[N@H+](Cc1cccs1)Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235026541 1040518766 /nfs/dbraw/zinc/51/87/66/1040518766.db2.gz CSSRXTKRIWVQFP-UHFFFAOYSA-N 2 2 392.322 3.691 20 0 GHADLP OCC[N@@H+](Cc1cccs1)Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235026541 1040518784 /nfs/dbraw/zinc/51/87/84/1040518784.db2.gz CSSRXTKRIWVQFP-UHFFFAOYSA-N 2 2 392.322 3.691 20 0 GHADLP F[C@H]1COC2(C1)CC[NH+](Cc1ccc(-n3cc[nH+]c3)c(Br)c1)CC2 ZINC001235033940 1040527475 /nfs/dbraw/zinc/52/74/75/1040527475.db2.gz HJBYFOFCJYVELV-OAHLLOKOSA-N 2 2 394.288 3.728 20 0 GHADLP C[N@H+](Cc1cccc(N2CCOCC2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001235071240 1040561132 /nfs/dbraw/zinc/56/11/32/1040561132.db2.gz LECZSHLQLJRGPO-UHFFFAOYSA-N 2 2 379.548 3.620 20 0 GHADLP C[N@@H+](Cc1cccc(N2CCOCC2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001235071240 1040561150 /nfs/dbraw/zinc/56/11/50/1040561150.db2.gz LECZSHLQLJRGPO-UHFFFAOYSA-N 2 2 379.548 3.620 20 0 GHADLP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(N3CCOCC3)c2)CC1 ZINC001235081413 1040566709 /nfs/dbraw/zinc/56/67/09/1040566709.db2.gz ASCVBPIHCMQXQJ-UHFFFAOYSA-N 2 2 379.548 3.620 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(N3CCOCC3)c2)CC1 ZINC001235081413 1040566719 /nfs/dbraw/zinc/56/67/19/1040566719.db2.gz ASCVBPIHCMQXQJ-UHFFFAOYSA-N 2 2 379.548 3.620 20 0 GHADLP Brc1ccccc1C1(C[NH2+][C@H]2CC3CC[NH+](CC3)C2)CCOCC1 ZINC001254843758 1040589415 /nfs/dbraw/zinc/58/94/15/1040589415.db2.gz GUBOHDKQTLIBMZ-KRWDZBQOSA-N 2 2 393.369 3.571 20 0 GHADLP c1[nH]c2cc(OCc3ccccc3)ccc2c1C[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235114145 1040601659 /nfs/dbraw/zinc/60/16/59/1040601659.db2.gz KQNHODRLEFDFFY-XMMPIXPASA-N 2 2 391.515 3.701 20 0 GHADLP c1[nH]c2cc(OCc3ccccc3)ccc2c1C[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235114145 1040601683 /nfs/dbraw/zinc/60/16/83/1040601683.db2.gz KQNHODRLEFDFFY-XMMPIXPASA-N 2 2 391.515 3.701 20 0 GHADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC001254915357 1040664564 /nfs/dbraw/zinc/66/45/64/1040664564.db2.gz FFBLJSIJJPIDNX-WGMWDUQUSA-N 2 2 391.600 3.971 20 0 GHADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC001254915357 1040664571 /nfs/dbraw/zinc/66/45/71/1040664571.db2.gz FFBLJSIJJPIDNX-WGMWDUQUSA-N 2 2 391.600 3.971 20 0 GHADLP NC(=O)C1CC[NH+](C2CC[NH+](Cc3cc(-c4ccsc4)cs3)CC2)CC1 ZINC001235189618 1040680753 /nfs/dbraw/zinc/68/07/53/1040680753.db2.gz RVOSNXJNINFUDK-UHFFFAOYSA-N 2 2 389.590 3.638 20 0 GHADLP COc1cc(Br)cc(F)c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235240411 1040720712 /nfs/dbraw/zinc/72/07/12/1040720712.db2.gz MUOQFIXXWOLPOI-QGZVFWFLSA-N 2 2 385.321 3.951 20 0 GHADLP O[C@@H]1C[N@@H+]([C@H]2CC[C@]3(c4ccccc4)CC[NH+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1F ZINC001255072816 1040766972 /nfs/dbraw/zinc/76/69/72/1040766972.db2.gz CAYXWVOXGWBWRE-UBCNIHEASA-N 2 2 394.534 3.766 20 0 GHADLP O[C@@H]1C[N@H+]([C@H]2CC[C@]3(c4ccccc4)CC[NH+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1F ZINC001255072816 1040766977 /nfs/dbraw/zinc/76/69/77/1040766977.db2.gz CAYXWVOXGWBWRE-UBCNIHEASA-N 2 2 394.534 3.766 20 0 GHADLP O[C@@H]1C[NH+]([C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1F ZINC001255072816 1040766983 /nfs/dbraw/zinc/76/69/83/1040766983.db2.gz CAYXWVOXGWBWRE-UBCNIHEASA-N 2 2 394.534 3.766 20 0 GHADLP O[C@@H]1C[NH+]([C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1F ZINC001255072816 1040766985 /nfs/dbraw/zinc/76/69/85/1040766985.db2.gz CAYXWVOXGWBWRE-UBCNIHEASA-N 2 2 394.534 3.766 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCc4cc5c(cc4C2)OCO5)C3)cc1 ZINC001255136601 1040839259 /nfs/dbraw/zinc/83/92/59/1040839259.db2.gz MMJRUDHXZUAWLN-KOUNCHBCSA-N 2 2 376.500 3.969 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCc4cc5c(cc4C2)OCO5)C3)cc1 ZINC001255136601 1040839267 /nfs/dbraw/zinc/83/92/67/1040839267.db2.gz MMJRUDHXZUAWLN-KOUNCHBCSA-N 2 2 376.500 3.969 20 0 GHADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CCc4cc5c(cc4C2)OCO5)C3)cc1 ZINC001255136601 1040839275 /nfs/dbraw/zinc/83/92/75/1040839275.db2.gz MMJRUDHXZUAWLN-KOUNCHBCSA-N 2 2 376.500 3.969 20 0 GHADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CCc4cc5c(cc4C2)OCO5)C3)cc1 ZINC001255136601 1040839284 /nfs/dbraw/zinc/83/92/84/1040839284.db2.gz MMJRUDHXZUAWLN-KOUNCHBCSA-N 2 2 376.500 3.969 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255140037 1040845216 /nfs/dbraw/zinc/84/52/16/1040845216.db2.gz HSMLLUJNUPQGGR-AERCQKQUSA-N 2 2 397.563 3.735 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255140037 1040845221 /nfs/dbraw/zinc/84/52/21/1040845221.db2.gz HSMLLUJNUPQGGR-AERCQKQUSA-N 2 2 397.563 3.735 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235377198 1040889230 /nfs/dbraw/zinc/88/92/30/1040889230.db2.gz CQXAFYWOUCBRMS-DMDYGQEQSA-N 3 2 389.587 3.978 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235377198 1040889235 /nfs/dbraw/zinc/88/92/35/1040889235.db2.gz CQXAFYWOUCBRMS-DMDYGQEQSA-N 3 2 389.587 3.978 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235377198 1040889255 /nfs/dbraw/zinc/88/92/55/1040889255.db2.gz CQXAFYWOUCBRMS-DMDYGQEQSA-N 3 2 389.587 3.978 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235377198 1040889284 /nfs/dbraw/zinc/88/92/84/1040889284.db2.gz CQXAFYWOUCBRMS-DMDYGQEQSA-N 3 2 389.587 3.978 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)ccc1OCc1ccccc1 ZINC001235407783 1040918926 /nfs/dbraw/zinc/91/89/26/1040918926.db2.gz TZWYBFDKIDSVFG-GOTSBHOMSA-N 2 2 384.495 3.798 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)ccc1OCc1ccccc1 ZINC001235407783 1040918933 /nfs/dbraw/zinc/91/89/33/1040918933.db2.gz TZWYBFDKIDSVFG-GOTSBHOMSA-N 2 2 384.495 3.798 20 0 GHADLP CCCC[C@@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001255321018 1040946152 /nfs/dbraw/zinc/94/61/52/1040946152.db2.gz WIFRUJHZIHCNBF-BEFAXECRSA-N 2 2 396.491 3.558 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255400003 1040986835 /nfs/dbraw/zinc/98/68/35/1040986835.db2.gz CLABQKGYLGDJTP-HKBOAZHASA-N 2 2 385.552 3.735 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255400003 1040986836 /nfs/dbraw/zinc/98/68/36/1040986836.db2.gz CLABQKGYLGDJTP-HKBOAZHASA-N 2 2 385.552 3.735 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255400003 1040986837 /nfs/dbraw/zinc/98/68/37/1040986837.db2.gz CLABQKGYLGDJTP-HKBOAZHASA-N 2 2 385.552 3.735 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255400003 1040986838 /nfs/dbraw/zinc/98/68/38/1040986838.db2.gz CLABQKGYLGDJTP-HKBOAZHASA-N 2 2 385.552 3.735 20 0 GHADLP COc1cccc(CN2CC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255407530 1040995414 /nfs/dbraw/zinc/99/54/14/1040995414.db2.gz BCAFTVQEAKFHRL-XMMPIXPASA-N 2 2 393.575 3.868 20 0 GHADLP COc1cccc(CN2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255407530 1040995415 /nfs/dbraw/zinc/99/54/15/1040995415.db2.gz BCAFTVQEAKFHRL-XMMPIXPASA-N 2 2 393.575 3.868 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c2c1OC(F)(F)O2 ZINC001462515469 1070318199 /nfs/dbraw/zinc/31/81/99/1070318199.db2.gz VWAFBEZKYFVMBZ-ZDUSSCGKSA-N 2 2 380.357 3.844 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c2c1OC(F)(F)O2 ZINC001462515469 1070318217 /nfs/dbraw/zinc/31/82/17/1070318217.db2.gz VWAFBEZKYFVMBZ-ZDUSSCGKSA-N 2 2 380.357 3.844 20 0 GHADLP CCOc1ccc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c(F)c1 ZINC001235649381 1041094204 /nfs/dbraw/zinc/09/42/04/1041094204.db2.gz QROSOANITUGAPE-UHFFFAOYSA-N 2 2 386.515 3.859 20 0 GHADLP CCOc1ccc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c(F)c1 ZINC001235649381 1041094232 /nfs/dbraw/zinc/09/42/32/1041094232.db2.gz QROSOANITUGAPE-UHFFFAOYSA-N 2 2 386.515 3.859 20 0 GHADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001255609367 1041164381 /nfs/dbraw/zinc/16/43/81/1041164381.db2.gz URRKIXYFUVAAED-FQEVSTJZSA-N 2 2 391.531 3.731 20 0 GHADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001255609367 1041164387 /nfs/dbraw/zinc/16/43/87/1041164387.db2.gz URRKIXYFUVAAED-FQEVSTJZSA-N 2 2 391.531 3.731 20 0 GHADLP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(OC(F)(F)F)cc1Br)C2 ZINC001235958788 1041466179 /nfs/dbraw/zinc/46/61/79/1041466179.db2.gz DZYOJLFRCKVILF-GNXNZQSNSA-N 2 2 379.220 3.517 20 0 GHADLP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(OC(F)(F)F)cc1Br)C2 ZINC001235958788 1041466189 /nfs/dbraw/zinc/46/61/89/1041466189.db2.gz DZYOJLFRCKVILF-GNXNZQSNSA-N 2 2 379.220 3.517 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+]([C@@H]4CCC[C@H](c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001256114544 1041540374 /nfs/dbraw/zinc/54/03/74/1041540374.db2.gz FMOHAHXCUNGKHE-UARRHKHWSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4CCC[C@H](c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001256114544 1041540393 /nfs/dbraw/zinc/54/03/93/1041540393.db2.gz FMOHAHXCUNGKHE-UARRHKHWSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4CCC[C@H](c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001256114544 1041540417 /nfs/dbraw/zinc/54/04/17/1041540417.db2.gz FMOHAHXCUNGKHE-UARRHKHWSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4CCC[C@H](c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001256114544 1041540428 /nfs/dbraw/zinc/54/04/28/1041540428.db2.gz FMOHAHXCUNGKHE-UARRHKHWSA-N 2 2 378.564 3.900 20 0 GHADLP Nc1[nH+]ccn1Cc1cccc(-c2cccc(Cl)c2C[NH+]2CCOCC2)c1 ZINC001236280151 1041657746 /nfs/dbraw/zinc/65/77/46/1041657746.db2.gz XZARXBLPCCTMTR-UHFFFAOYSA-N 2 2 382.895 3.666 20 0 GHADLP COc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(Br)n1 ZINC001236376766 1041688608 /nfs/dbraw/zinc/68/86/08/1041688608.db2.gz VEFHRHTXYGLYPO-CQSZACIVSA-N 2 2 382.346 3.597 20 0 GHADLP COc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(Br)n1 ZINC001236376766 1041688613 /nfs/dbraw/zinc/68/86/13/1041688613.db2.gz VEFHRHTXYGLYPO-CQSZACIVSA-N 2 2 382.346 3.597 20 0 GHADLP Clc1ccc(N2CCC([N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)CC2)cc1 ZINC001256310726 1041696241 /nfs/dbraw/zinc/69/62/41/1041696241.db2.gz SMBKIMMDVHXSDT-BGYRXZFFSA-N 2 2 396.966 3.768 20 0 GHADLP Clc1ccc(N2CCC([N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)CC2)cc1 ZINC001256310726 1041696247 /nfs/dbraw/zinc/69/62/47/1041696247.db2.gz SMBKIMMDVHXSDT-BGYRXZFFSA-N 2 2 396.966 3.768 20 0 GHADLP Clc1ccc(N2CCC([NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)CC2)cc1 ZINC001256310726 1041696252 /nfs/dbraw/zinc/69/62/52/1041696252.db2.gz SMBKIMMDVHXSDT-BGYRXZFFSA-N 2 2 396.966 3.768 20 0 GHADLP Clc1ccc(N2CCC([NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)CC2)cc1 ZINC001256310726 1041696254 /nfs/dbraw/zinc/69/62/54/1041696254.db2.gz SMBKIMMDVHXSDT-BGYRXZFFSA-N 2 2 396.966 3.768 20 0 GHADLP Fc1cccc(CN(Cc2c[nH+]cn2Cc2ccccc2)[C@H]2CCC[NH2+]C2)c1 ZINC001236396092 1041699666 /nfs/dbraw/zinc/69/96/66/1041699666.db2.gz OXWIJZXSBJNMDU-QFIPXVFZSA-N 2 2 378.495 3.825 20 0 GHADLP COc1ccc(C[N@H+](Cc2ccc(OC)c(C)c2OC)C2CC[NH2+]CC2)cc1 ZINC001236442152 1041714423 /nfs/dbraw/zinc/71/44/23/1041714423.db2.gz XRKPPAUFZACAJU-UHFFFAOYSA-N 2 2 384.520 3.775 20 0 GHADLP COc1ccc(C[N@@H+](Cc2ccc(OC)c(C)c2OC)C2CC[NH2+]CC2)cc1 ZINC001236442152 1041714428 /nfs/dbraw/zinc/71/44/28/1041714428.db2.gz XRKPPAUFZACAJU-UHFFFAOYSA-N 2 2 384.520 3.775 20 0 GHADLP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2nccnc2Cl)CC3)c1 ZINC001236608835 1041779355 /nfs/dbraw/zinc/77/93/55/1041779355.db2.gz HYJXWBHSIASLLN-UHFFFAOYSA-N 2 2 386.927 3.627 20 0 GHADLP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2nccnc2Cl)CC3)c1 ZINC001236608835 1041779357 /nfs/dbraw/zinc/77/93/57/1041779357.db2.gz HYJXWBHSIASLLN-UHFFFAOYSA-N 2 2 386.927 3.627 20 0 GHADLP C[N@H+](C1CCOCC1)C1CCN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236915894 1041956176 /nfs/dbraw/zinc/95/61/76/1041956176.db2.gz GRVWPAPSMMKKSG-UHFFFAOYSA-N 2 2 388.943 3.601 20 0 GHADLP C[N@@H+](C1CCOCC1)C1CCN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236915894 1041956179 /nfs/dbraw/zinc/95/61/79/1041956179.db2.gz GRVWPAPSMMKKSG-UHFFFAOYSA-N 2 2 388.943 3.601 20 0 GHADLP O=C1N(CC2CC2)CC[C@]12CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236919802 1041959447 /nfs/dbraw/zinc/95/94/47/1041959447.db2.gz YJZKSXBWNBALBU-QFIPXVFZSA-N 2 2 398.938 3.750 20 0 GHADLP O=C1N(CC2CC2)CC[C@]12CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236919802 1041959448 /nfs/dbraw/zinc/95/94/48/1041959448.db2.gz YJZKSXBWNBALBU-QFIPXVFZSA-N 2 2 398.938 3.750 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001237042470 1042002887 /nfs/dbraw/zinc/00/28/87/1042002887.db2.gz MRTILWAHHHIUEH-FRFSOERESA-N 2 2 376.413 3.816 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001237042470 1042002889 /nfs/dbraw/zinc/00/28/89/1042002889.db2.gz MRTILWAHHHIUEH-FRFSOERESA-N 2 2 376.413 3.816 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237364641 1042172911 /nfs/dbraw/zinc/17/29/11/1042172911.db2.gz XRBCVVSYBOHIRB-UHFFFAOYSA-N 3 2 382.577 3.513 20 0 GHADLP Cc1c(C[N@@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)cccc1-c1ccccc1 ZINC001237583320 1042272974 /nfs/dbraw/zinc/27/29/74/1042272974.db2.gz NJEIHIBPLZWZBQ-UHFFFAOYSA-N 2 2 398.514 3.904 20 0 GHADLP Cc1c(C[N@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)cccc1-c1ccccc1 ZINC001237583320 1042272978 /nfs/dbraw/zinc/27/29/78/1042272978.db2.gz NJEIHIBPLZWZBQ-UHFFFAOYSA-N 2 2 398.514 3.904 20 0 GHADLP COc1cccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1Br ZINC001237861586 1042399082 /nfs/dbraw/zinc/39/90/82/1042399082.db2.gz YXUHIRWMOUDKOY-UHFFFAOYSA-N 2 2 390.325 3.900 20 0 GHADLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(F)c(OCc4ccccc4)c3)CC2)CC1 ZINC001238342237 1042562792 /nfs/dbraw/zinc/56/27/92/1042562792.db2.gz BKPQSQNOOLVAIT-UHFFFAOYSA-N 2 2 397.538 3.617 20 0 GHADLP C[NH+]1CCN(C2CC[NH+](Cc3cc(-c4ccccc4)ncc3Cl)CC2)CC1 ZINC001238623962 1042663239 /nfs/dbraw/zinc/66/32/39/1042663239.db2.gz BIBIHUIPXJYURQ-UHFFFAOYSA-N 2 2 384.955 3.614 20 0 GHADLP CC[NH+](CC)CCn1cc(-c2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)cn1 ZINC001239203209 1042786520 /nfs/dbraw/zinc/78/65/20/1042786520.db2.gz OMBIOXBMZXJNBT-UHFFFAOYSA-N 2 2 387.491 3.535 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc(C(=O)NCc4ccccc4)c3)cc2)C1 ZINC001240077382 1042883376 /nfs/dbraw/zinc/88/33/76/1042883376.db2.gz OZQMYSUMEMNYNH-DEOSSOPVSA-N 2 2 385.511 3.817 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc(C(=O)NCc4ccccc4)c3)cc2)C1 ZINC001240077382 1042883380 /nfs/dbraw/zinc/88/33/80/1042883380.db2.gz OZQMYSUMEMNYNH-DEOSSOPVSA-N 2 2 385.511 3.817 20 0 GHADLP CC1CCN(C(=O)c2cccc(-c3ccc(C[N@@H+]4CC[C@H]([NH3+])C4)cc3)c2)CC1 ZINC001240110667 1042892370 /nfs/dbraw/zinc/89/23/70/1042892370.db2.gz XYOQWVKAZGUOCD-QHCPKHFHSA-N 2 2 377.532 3.759 20 0 GHADLP CC1CCN(C(=O)c2cccc(-c3ccc(C[N@H+]4CC[C@H]([NH3+])C4)cc3)c2)CC1 ZINC001240110667 1042892378 /nfs/dbraw/zinc/89/23/78/1042892378.db2.gz XYOQWVKAZGUOCD-QHCPKHFHSA-N 2 2 377.532 3.759 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OC3CCOCC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC001256534628 1043472968 /nfs/dbraw/zinc/47/29/68/1043472968.db2.gz SWASBYKXYSDYTL-TZIWHRDSSA-N 2 2 395.547 3.782 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OC3CCOCC3)n2)CC[N@H+]1Cc1ccccc1 ZINC001256534628 1043472980 /nfs/dbraw/zinc/47/29/80/1043472980.db2.gz SWASBYKXYSDYTL-TZIWHRDSSA-N 2 2 395.547 3.782 20 0 GHADLP CC(C)Oc1ncnc2c1CC[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256539144 1043486722 /nfs/dbraw/zinc/48/67/22/1043486722.db2.gz BIQCBXUZQUDSHQ-CTNGQTDRSA-N 2 2 394.563 3.718 20 0 GHADLP CC(C)Oc1ncnc2c1CC[N@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256539144 1043486731 /nfs/dbraw/zinc/48/67/31/1043486731.db2.gz BIQCBXUZQUDSHQ-CTNGQTDRSA-N 2 2 394.563 3.718 20 0 GHADLP CC(C)Oc1ncnc2c1CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256539144 1043486737 /nfs/dbraw/zinc/48/67/37/1043486737.db2.gz BIQCBXUZQUDSHQ-CTNGQTDRSA-N 2 2 394.563 3.718 20 0 GHADLP CC(C)Oc1ncnc2c1CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256539144 1043486742 /nfs/dbraw/zinc/48/67/42/1043486742.db2.gz BIQCBXUZQUDSHQ-CTNGQTDRSA-N 2 2 394.563 3.718 20 0 GHADLP COc1cccnc1O[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256557615 1043530683 /nfs/dbraw/zinc/53/06/83/1043530683.db2.gz NSHAGYUXMBBHFY-HMXCVIKNSA-N 2 2 381.520 3.596 20 0 GHADLP COc1cccnc1O[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256557615 1043530695 /nfs/dbraw/zinc/53/06/95/1043530695.db2.gz NSHAGYUXMBBHFY-HMXCVIKNSA-N 2 2 381.520 3.596 20 0 GHADLP COc1cccnc1O[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256557615 1043530704 /nfs/dbraw/zinc/53/07/04/1043530704.db2.gz NSHAGYUXMBBHFY-HMXCVIKNSA-N 2 2 381.520 3.596 20 0 GHADLP COc1cccnc1O[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256557615 1043530713 /nfs/dbraw/zinc/53/07/13/1043530713.db2.gz NSHAGYUXMBBHFY-HMXCVIKNSA-N 2 2 381.520 3.596 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)CC1 ZINC001256577684 1043549149 /nfs/dbraw/zinc/54/91/49/1043549149.db2.gz QHNSBPQRBAIBGK-UHFFFAOYSA-N 2 2 379.552 3.529 20 0 GHADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1 ZINC001256577297 1043549736 /nfs/dbraw/zinc/54/97/36/1043549736.db2.gz IBSTVWOYJGFFLX-HNNXBMFYSA-N 2 2 386.462 3.602 20 0 GHADLP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1 ZINC001256577297 1043549745 /nfs/dbraw/zinc/54/97/45/1043549745.db2.gz IBSTVWOYJGFFLX-HNNXBMFYSA-N 2 2 386.462 3.602 20 0 GHADLP C[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256604333 1043567211 /nfs/dbraw/zinc/56/72/11/1043567211.db2.gz OWTXEEYVWITGFV-LJQANCHMSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256604333 1043567213 /nfs/dbraw/zinc/56/72/13/1043567213.db2.gz OWTXEEYVWITGFV-LJQANCHMSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256613764 1043577997 /nfs/dbraw/zinc/57/79/97/1043577997.db2.gz UNMDWEKTQZBSDG-NQIIRXRSSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256613764 1043578005 /nfs/dbraw/zinc/57/80/05/1043578005.db2.gz UNMDWEKTQZBSDG-NQIIRXRSSA-N 2 2 387.568 3.886 20 0 GHADLP O=C1CCCC[C@]1([NH2+]C1CCC([NH+]2CCOCC2)CC1)c1ccccc1Cl ZINC001256686190 1043621919 /nfs/dbraw/zinc/62/19/19/1043621919.db2.gz KYLHHMGCTJOZNG-IRZJEQJZSA-N 2 2 390.955 3.911 20 0 GHADLP COc1ccc([C@H]([NH3+])[C@@H]([NH2+]C2C[C@@H](C)O[C@H](C)C2)c2ccc(OC)cc2)cc1 ZINC001257078247 1043834184 /nfs/dbraw/zinc/83/41/84/1043834184.db2.gz GPPPYFTZJPMEQC-HMOKWFRKSA-N 2 2 384.520 3.991 20 0 GHADLP CC[C@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257129073 1043877443 /nfs/dbraw/zinc/87/74/43/1043877443.db2.gz STYQQKLNUKPLMS-OALUTQOASA-N 2 2 388.556 3.818 20 0 GHADLP CCOC(=O)c1ccc(C[C@@H](C)[NH+]2CCC([NH3+])(c3ccccc3F)CC2)cc1 ZINC001257150711 1043899999 /nfs/dbraw/zinc/89/99/99/1043899999.db2.gz FHBHZFPPJNTTGI-QGZVFWFLSA-N 2 2 384.495 3.883 20 0 GHADLP CC(C)[NH+]1CCC([NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001257216991 1043940189 /nfs/dbraw/zinc/94/01/89/1043940189.db2.gz QDCZEZJJPSZBTM-HSZRJFAPSA-N 3 2 385.596 3.615 20 0 GHADLP CC(C)[NH+]1CCC([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001257216991 1043940191 /nfs/dbraw/zinc/94/01/91/1043940191.db2.gz QDCZEZJJPSZBTM-HSZRJFAPSA-N 3 2 385.596 3.615 20 0 GHADLP CCCCOC(=O)CC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001257380553 1043976497 /nfs/dbraw/zinc/97/64/97/1043976497.db2.gz CGGICXDMASVJSO-GOSISDBHSA-N 2 2 376.541 3.761 20 0 GHADLP CCC[C@H](C)CC[C@H](C)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001257486200 1044014415 /nfs/dbraw/zinc/01/44/15/1044014415.db2.gz TVQHSKITXIFNIE-VXKWHMMOSA-N 3 2 392.676 3.768 20 0 GHADLP CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001293138369 1044033972 /nfs/dbraw/zinc/03/39/72/1044033972.db2.gz UGLYSZNLGSUECP-OAQYLSRUSA-N 2 2 398.551 3.574 20 0 GHADLP CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001293138369 1044033986 /nfs/dbraw/zinc/03/39/86/1044033986.db2.gz UGLYSZNLGSUECP-OAQYLSRUSA-N 2 2 398.551 3.574 20 0 GHADLP CC(C)[N@H+](C1CC[NH+](C)CC1)C1C[C@H]2C[C@@H](C1)CN(C(=O)OC(C)(C)C)C2 ZINC001257854055 1044222939 /nfs/dbraw/zinc/22/29/39/1044222939.db2.gz VGXYQKTZALPSFH-UFRUDQCGSA-N 2 2 379.589 3.827 20 0 GHADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)C1C[C@H]2C[C@@H](C1)CN(C(=O)OC(C)(C)C)C2 ZINC001257854055 1044222959 /nfs/dbraw/zinc/22/29/59/1044222959.db2.gz VGXYQKTZALPSFH-UFRUDQCGSA-N 2 2 379.589 3.827 20 0 GHADLP CC(C)C[C@@H](C)C[C@H](C)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001258073040 1044383993 /nfs/dbraw/zinc/38/39/93/1044383993.db2.gz APOQQQYNMDCJPV-YADHBBJMSA-N 3 2 392.676 3.623 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258140727 1044425573 /nfs/dbraw/zinc/42/55/73/1044425573.db2.gz FCYITAAWPOQOEN-FQEVSTJZSA-N 2 2 387.568 3.683 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258140727 1044425581 /nfs/dbraw/zinc/42/55/81/1044425581.db2.gz FCYITAAWPOQOEN-FQEVSTJZSA-N 2 2 387.568 3.683 20 0 GHADLP Cc1cccc(O[C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC001258149306 1044439854 /nfs/dbraw/zinc/43/98/54/1044439854.db2.gz IXTPJDOWDAHYSE-HSZRJFAPSA-N 2 2 379.548 3.940 20 0 GHADLP Cc1cccc(O[C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC001258149306 1044439862 /nfs/dbraw/zinc/43/98/62/1044439862.db2.gz IXTPJDOWDAHYSE-HSZRJFAPSA-N 2 2 379.548 3.940 20 0 GHADLP COc1cc(OC2CC[NH+](C3CC[NH+](CCc4ccccc4)CC3)CC2)ccn1 ZINC001258150167 1044441848 /nfs/dbraw/zinc/44/18/48/1044441848.db2.gz ZFIQTTYBEGDMAW-UHFFFAOYSA-N 2 2 395.547 3.641 20 0 GHADLP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001294047509 1044446003 /nfs/dbraw/zinc/44/60/03/1044446003.db2.gz KZPMPKULENWEDF-RDPSFJRHSA-N 2 2 391.559 3.729 20 0 GHADLP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001294047509 1044446011 /nfs/dbraw/zinc/44/60/11/1044446011.db2.gz KZPMPKULENWEDF-RDPSFJRHSA-N 2 2 391.559 3.729 20 0 GHADLP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1c(Cl)cc(O)cc1Cl)C2 ZINC001279081677 1044460657 /nfs/dbraw/zinc/46/06/57/1044460657.db2.gz LXLWTPFPKDXRQE-IBGZPJMESA-N 2 2 386.367 3.549 20 0 GHADLP C[C@@H](Cc1ccco1)[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001258191486 1044464490 /nfs/dbraw/zinc/46/44/90/1044464490.db2.gz GLCJBGCDDUSWKL-FXAWDEMLSA-N 2 2 375.463 3.839 20 0 GHADLP C[C@@H](Cc1ccco1)[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001258191486 1044464492 /nfs/dbraw/zinc/46/44/92/1044464492.db2.gz GLCJBGCDDUSWKL-FXAWDEMLSA-N 2 2 375.463 3.839 20 0 GHADLP C[C@@H](Cc1ccco1)[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001258191486 1044464495 /nfs/dbraw/zinc/46/44/95/1044464495.db2.gz GLCJBGCDDUSWKL-FXAWDEMLSA-N 2 2 375.463 3.839 20 0 GHADLP C[C@@H](Cc1ccco1)[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001258191486 1044464498 /nfs/dbraw/zinc/46/44/98/1044464498.db2.gz GLCJBGCDDUSWKL-FXAWDEMLSA-N 2 2 375.463 3.839 20 0 GHADLP CNc1nc(Cl)ncc1C[NH+]1CCC2(CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001279102649 1044576844 /nfs/dbraw/zinc/57/68/44/1044576844.db2.gz SZISLEQLULPQMO-UHFFFAOYSA-N 2 2 377.964 3.792 20 0 GHADLP CNc1nc(Cl)ncc1C[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001279102649 1044576853 /nfs/dbraw/zinc/57/68/53/1044576853.db2.gz SZISLEQLULPQMO-UHFFFAOYSA-N 2 2 377.964 3.792 20 0 GHADLP CCC1CCC(C2CCC([NH+]3CCN(CC[NH+]4CCOCC4)CC3)CC2)CC1 ZINC001258634152 1044680005 /nfs/dbraw/zinc/68/00/05/1044680005.db2.gz CQNWBWLSYRFDJN-UHFFFAOYSA-N 2 2 391.644 3.711 20 0 GHADLP CCC[C@H](Cc1ccccc1)[NH+]1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001258653195 1044690971 /nfs/dbraw/zinc/69/09/71/1044690971.db2.gz LOLSQTVSVQVLCQ-JOCHJYFZSA-N 2 2 379.548 3.508 20 0 GHADLP CCC[NH+]1CCC([NH2+]Cc2cncn2Cc2ccc(Br)cc2)CC1 ZINC001258771011 1044757829 /nfs/dbraw/zinc/75/78/29/1044757829.db2.gz WTMSDSPWUFIZMI-UHFFFAOYSA-N 2 2 391.357 3.658 20 0 GHADLP CCc1ccc([C@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[NH+](CC)CC)cc1 ZINC001298681138 1045917427 /nfs/dbraw/zinc/91/74/27/1045917427.db2.gz FPHCRJZXYJDPKC-VXKWHMMOSA-N 2 2 397.567 3.552 20 0 GHADLP CCc1ccc([C@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[NH+](CC)CC)cc1 ZINC001298681138 1045917431 /nfs/dbraw/zinc/91/74/31/1045917431.db2.gz FPHCRJZXYJDPKC-VXKWHMMOSA-N 2 2 397.567 3.552 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)/C=C\c3csc(C(F)(F)F)c3)c2)CC1 ZINC001302318592 1046908257 /nfs/dbraw/zinc/90/82/57/1046908257.db2.gz TYAPTNIAUMLEAU-IHWYPQMZSA-N 2 2 396.438 3.566 20 0 GHADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)c1c[nH+]ccc1Nc1ccccc1 ZINC001302594619 1046995395 /nfs/dbraw/zinc/99/53/95/1046995395.db2.gz ZXSLJKIAFJGFGK-FQEVSTJZSA-N 2 2 378.520 3.774 20 0 GHADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)c1c[nH+]ccc1Nc1ccccc1 ZINC001302594619 1046995399 /nfs/dbraw/zinc/99/53/99/1046995399.db2.gz ZXSLJKIAFJGFGK-FQEVSTJZSA-N 2 2 378.520 3.774 20 0 GHADLP Cc1ncsc1C[NH2+][C@@]12CC[C@@]([NH2+]CCC[NH+]3CCCCC3)(C1)CCC2 ZINC001279275522 1047753561 /nfs/dbraw/zinc/75/35/61/1047753561.db2.gz SDKYLIURMCIZRP-RTWAWAEBSA-N 3 2 376.614 3.852 20 0 GHADLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1ccc(O)c(F)c1F)CC2 ZINC001279330167 1047769514 /nfs/dbraw/zinc/76/95/14/1047769514.db2.gz GMKRZFIOYGGWRC-UHFFFAOYSA-N 2 2 379.476 3.533 20 0 GHADLP O=c1cccc(C[NH+]2CC3(C2)CC[NH+](Cc2ccc(Cl)cc2F)CC3)[nH]1 ZINC001279400430 1047794748 /nfs/dbraw/zinc/79/47/48/1047794748.db2.gz MNAKARCYCFCMNP-UHFFFAOYSA-N 2 2 375.875 3.678 20 0 GHADLP Cc1ncsc1C[N@@H+]1CCC[C@@]2(CCC[NH+](CC3(C)CCOCC3)C2)C1 ZINC001279474642 1047818702 /nfs/dbraw/zinc/81/87/02/1047818702.db2.gz QDISPQSCBVUTJV-OAQYLSRUSA-N 2 2 377.598 3.946 20 0 GHADLP Cc1ncsc1C[N@H+]1CCC[C@@]2(CCC[NH+](CC3(C)CCOCC3)C2)C1 ZINC001279474642 1047818705 /nfs/dbraw/zinc/81/87/05/1047818705.db2.gz QDISPQSCBVUTJV-OAQYLSRUSA-N 2 2 377.598 3.946 20 0 GHADLP Cc1ncsc1C[NH+]1CCC[C@@]2(CCC[N@H+](CC3(C)CCOCC3)C2)C1 ZINC001279474642 1047818713 /nfs/dbraw/zinc/81/87/13/1047818713.db2.gz QDISPQSCBVUTJV-OAQYLSRUSA-N 2 2 377.598 3.946 20 0 GHADLP Cc1ncsc1C[NH+]1CCC[C@@]2(CCC[N@@H+](CC3(C)CCOCC3)C2)C1 ZINC001279474642 1047818723 /nfs/dbraw/zinc/81/87/23/1047818723.db2.gz QDISPQSCBVUTJV-OAQYLSRUSA-N 2 2 377.598 3.946 20 0 GHADLP COc1ccnc(Cl)c1C[NH+]1CCC2(C[NH+](CCCC(F)(F)F)C2)CC1 ZINC001279548412 1047837560 /nfs/dbraw/zinc/83/75/60/1047837560.db2.gz FCHQVYVHBJJBNH-UHFFFAOYSA-N 2 2 391.865 3.984 20 0 GHADLP CC(C)C[C@@H](C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)n1cc[nH+]c1 ZINC001305106209 1047905791 /nfs/dbraw/zinc/90/57/91/1047905791.db2.gz FURWKHDNONVIEM-LDVJMBRRSA-N 2 2 394.563 3.887 20 0 GHADLP CC(C)C[C@@H](C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)n1cc[nH+]c1 ZINC001305106209 1047905796 /nfs/dbraw/zinc/90/57/96/1047905796.db2.gz FURWKHDNONVIEM-LDVJMBRRSA-N 2 2 394.563 3.887 20 0 GHADLP Nc1ncc(Br)cc1C[NH+]1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001279714707 1047932249 /nfs/dbraw/zinc/93/22/49/1047932249.db2.gz RHOHJHYIACHFDH-UHFFFAOYSA-N 2 2 393.373 3.657 20 0 GHADLP Nc1ncc(Br)cc1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001279714707 1047932255 /nfs/dbraw/zinc/93/22/55/1047932255.db2.gz RHOHJHYIACHFDH-UHFFFAOYSA-N 2 2 393.373 3.657 20 0 GHADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3nc(Br)sc3c1)C2 ZINC001280270839 1048154914 /nfs/dbraw/zinc/15/49/14/1048154914.db2.gz ZZAUDZNEKLASCL-QGZVFWFLSA-N 2 2 380.355 3.977 20 0 GHADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3nc(Br)sc3c1)C2 ZINC001280270839 1048154923 /nfs/dbraw/zinc/15/49/23/1048154923.db2.gz ZZAUDZNEKLASCL-QGZVFWFLSA-N 2 2 380.355 3.977 20 0 GHADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc3nc(Br)sc3c1)C2 ZINC001280270839 1048154950 /nfs/dbraw/zinc/15/49/50/1048154950.db2.gz ZZAUDZNEKLASCL-QGZVFWFLSA-N 2 2 380.355 3.977 20 0 GHADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc3nc(Br)sc3c1)C2 ZINC001280270839 1048154953 /nfs/dbraw/zinc/15/49/53/1048154953.db2.gz ZZAUDZNEKLASCL-QGZVFWFLSA-N 2 2 380.355 3.977 20 0 GHADLP FC(F)(F)c1nc2n(c1C[NH2+]CCC[N@@H+]1CCc3ccccc3C1)CCCC2 ZINC001308196508 1049908862 /nfs/dbraw/zinc/90/88/62/1049908862.db2.gz IDNBEPUETKZNEB-UHFFFAOYSA-N 2 2 392.469 3.776 20 0 GHADLP FC(F)(F)c1nc2n(c1C[NH2+]CCC[N@H+]1CCc3ccccc3C1)CCCC2 ZINC001308196508 1049908867 /nfs/dbraw/zinc/90/88/67/1049908867.db2.gz IDNBEPUETKZNEB-UHFFFAOYSA-N 2 2 392.469 3.776 20 0 GHADLP COc1cccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1OC(C)C ZINC001308338391 1049952990 /nfs/dbraw/zinc/95/29/90/1049952990.db2.gz VMNLNTDHWJPNLB-LJQANCHMSA-N 2 2 384.524 3.630 20 0 GHADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)n1 ZINC001308450190 1049979376 /nfs/dbraw/zinc/97/93/76/1049979376.db2.gz HHERANINTQTVJF-MSOLQXFVSA-N 2 2 378.442 3.998 20 0 GHADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)n1 ZINC001308450190 1049979379 /nfs/dbraw/zinc/97/93/79/1049979379.db2.gz HHERANINTQTVJF-MSOLQXFVSA-N 2 2 378.442 3.998 20 0 GHADLP Cc1cc(Br)c(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1Br ZINC001308479449 1049985235 /nfs/dbraw/zinc/98/52/35/1049985235.db2.gz QPDFVKLIDAHCAH-LLVKDONJSA-N 2 2 378.152 3.950 20 0 GHADLP C[C@@H]1Cc2cc(C[NH2+]CC3([N@H+](C)Cc4ccccc4)CCOCC3)ccc2O1 ZINC001308514120 1049995295 /nfs/dbraw/zinc/99/52/95/1049995295.db2.gz VBCWSQTWWSRBKJ-LJQANCHMSA-N 2 2 380.532 3.781 20 0 GHADLP C[C@@H]1Cc2cc(C[NH2+]CC3([N@@H+](C)Cc4ccccc4)CCOCC3)ccc2O1 ZINC001308514120 1049995297 /nfs/dbraw/zinc/99/52/97/1049995297.db2.gz VBCWSQTWWSRBKJ-LJQANCHMSA-N 2 2 380.532 3.781 20 0 GHADLP CC[C@@H]1[C@H](C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)CCN1C(=O)OC(C)(C)C ZINC001330127181 1050962383 /nfs/dbraw/zinc/96/23/83/1050962383.db2.gz KWTNDIYYVPNTRX-NVXWUHKLSA-N 2 2 399.495 3.550 20 0 GHADLP C[C@H](C(=O)Nc1ccc(C[N@H+](C)CCOc2ccccc2)cc1)n1cc[nH+]c1 ZINC001332267259 1051495142 /nfs/dbraw/zinc/49/51/42/1051495142.db2.gz UQCCOKIMDUHZLU-GOSISDBHSA-N 2 2 378.476 3.594 20 0 GHADLP C[C@H](C(=O)Nc1ccc(C[N@@H+](C)CCOc2ccccc2)cc1)n1cc[nH+]c1 ZINC001332267259 1051495155 /nfs/dbraw/zinc/49/51/55/1051495155.db2.gz UQCCOKIMDUHZLU-GOSISDBHSA-N 2 2 378.476 3.594 20 0 GHADLP [NH3+][C@H](CCC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1ccccc1 ZINC001332515925 1051535881 /nfs/dbraw/zinc/53/58/81/1051535881.db2.gz HWUQRLIIHMCWFJ-LJQANCHMSA-N 2 2 391.519 3.968 20 0 GHADLP O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001333091214 1051659696 /nfs/dbraw/zinc/65/96/96/1051659696.db2.gz PHNDEDLZBCCNQF-UHFFFAOYSA-N 2 2 389.503 3.843 20 0 GHADLP CC(C)[C@@H]1CN(C(=O)Nc2cc[nH+]c(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC001311078879 1051834483 /nfs/dbraw/zinc/83/44/83/1051834483.db2.gz RJXKCODCZDAYEV-FQEVSTJZSA-N 2 2 381.524 3.522 20 0 GHADLP CC(C)[C@@H]1CN(C(=O)Nc2cc[nH+]c(N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC001311078879 1051834493 /nfs/dbraw/zinc/83/44/93/1051834493.db2.gz RJXKCODCZDAYEV-FQEVSTJZSA-N 2 2 381.524 3.522 20 0 GHADLP Cc1[nH]c(-c2ccc(NC(=O)COc3ccc(CCC[NH3+])cc3)cc2)[nH+]c1C ZINC001342377534 1053136972 /nfs/dbraw/zinc/13/69/72/1053136972.db2.gz QUAQJTJTCKIAHV-UHFFFAOYSA-N 2 2 378.476 3.602 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1c2ccccc2CC[C@@H]1C ZINC001319894828 1055526845 /nfs/dbraw/zinc/52/68/45/1055526845.db2.gz GQWGEXGGMSUGDR-ZRCGQRJVSA-N 2 2 378.564 3.723 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1c2ccccc2CC[C@@H]1C ZINC001319894828 1055526857 /nfs/dbraw/zinc/52/68/57/1055526857.db2.gz GQWGEXGGMSUGDR-ZRCGQRJVSA-N 2 2 378.564 3.723 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001322745414 1056831984 /nfs/dbraw/zinc/83/19/84/1056831984.db2.gz OSKOQKLPRZDURX-RTBURBONSA-N 2 2 390.572 3.712 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001322745414 1056831987 /nfs/dbraw/zinc/83/19/87/1056831987.db2.gz OSKOQKLPRZDURX-RTBURBONSA-N 2 2 390.572 3.712 20 0 GHADLP COc1cccc(OC)c1OCCCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001325344734 1057316192 /nfs/dbraw/zinc/31/61/92/1057316192.db2.gz HIMDAHQFRXHBSN-SFHVURJKSA-N 2 2 387.524 3.551 20 0 GHADLP COc1cccc(OC)c1OCCCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001325344734 1057316197 /nfs/dbraw/zinc/31/61/97/1057316197.db2.gz HIMDAHQFRXHBSN-SFHVURJKSA-N 2 2 387.524 3.551 20 0 GHADLP COc1ccc([C@@H]([NH2+]C2CCN(c3cccc(OC)c3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC001325715722 1057354561 /nfs/dbraw/zinc/35/45/61/1057354561.db2.gz DDOQUOALEZMWMG-DNQXCXABSA-N 2 2 395.547 3.756 20 0 GHADLP Cc1cc(Br)cn2cc(CCNC(=[NH2+])NC3CCCCCC3)[nH+]c12 ZINC000849082039 1057585570 /nfs/dbraw/zinc/58/55/70/1057585570.db2.gz LIPJVALQUCKITN-UHFFFAOYSA-N 2 2 392.345 3.784 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC001339064490 1058945433 /nfs/dbraw/zinc/94/54/33/1058945433.db2.gz IRISHCINEUBKMX-UHFFFAOYSA-N 2 2 377.231 3.900 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC(C)(C)C[C@H]3c3ccccc3)C2)CC1 ZINC001443746207 1059192751 /nfs/dbraw/zinc/19/27/51/1059192751.db2.gz YXABXXGOQMLDCU-WWNPGLIZSA-N 2 2 397.607 3.881 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCC(C)(C)C[C@H]3c3ccccc3)C2)CC1 ZINC001443746207 1059192757 /nfs/dbraw/zinc/19/27/57/1059192757.db2.gz YXABXXGOQMLDCU-WWNPGLIZSA-N 2 2 397.607 3.881 20 0 GHADLP CN(C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001443781939 1059204423 /nfs/dbraw/zinc/20/44/23/1059204423.db2.gz UNKFHGJDLCNZBG-HXUWFJFHSA-N 2 2 396.579 3.706 20 0 GHADLP CN(C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001443781939 1059204438 /nfs/dbraw/zinc/20/44/38/1059204438.db2.gz UNKFHGJDLCNZBG-HXUWFJFHSA-N 2 2 396.579 3.706 20 0 GHADLP CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001450289181 1060570917 /nfs/dbraw/zinc/57/09/17/1060570917.db2.gz CTUFSADBZDATJG-SFTDATJTSA-N 2 2 391.987 3.883 20 0 GHADLP CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001450289181 1060570932 /nfs/dbraw/zinc/57/09/32/1060570932.db2.gz CTUFSADBZDATJG-SFTDATJTSA-N 2 2 391.987 3.883 20 0 GHADLP CC(C)C[C@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001450289181 1060570948 /nfs/dbraw/zinc/57/09/48/1060570948.db2.gz CTUFSADBZDATJG-SFTDATJTSA-N 2 2 391.987 3.883 20 0 GHADLP CC(C)C[C@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001450289181 1060570962 /nfs/dbraw/zinc/57/09/62/1060570962.db2.gz CTUFSADBZDATJG-SFTDATJTSA-N 2 2 391.987 3.883 20 0 GHADLP CCC(CC)Nc1cc[nH+]cc1NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001450353990 1060579149 /nfs/dbraw/zinc/57/91/49/1060579149.db2.gz CVXBMNCJKXOSOK-UHFFFAOYSA-N 2 2 392.507 3.665 20 0 GHADLP O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001453644526 1061174648 /nfs/dbraw/zinc/17/46/48/1061174648.db2.gz XICPOFBMMOWWDK-RBBKRZOGSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001453644526 1061174654 /nfs/dbraw/zinc/17/46/54/1061174654.db2.gz XICPOFBMMOWWDK-RBBKRZOGSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001453644526 1061174660 /nfs/dbraw/zinc/17/46/60/1061174660.db2.gz XICPOFBMMOWWDK-RBBKRZOGSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001453644526 1061174662 /nfs/dbraw/zinc/17/46/62/1061174662.db2.gz XICPOFBMMOWWDK-RBBKRZOGSA-N 2 2 387.543 3.703 20 0 GHADLP Cc1cc(Br)cn2cc(CCNC(=[NH2+])Nc3ccccc3C)[nH+]c12 ZINC001346588628 1061708213 /nfs/dbraw/zinc/70/82/13/1061708213.db2.gz LQKMVGIWEUHRHC-UHFFFAOYSA-N 2 2 386.297 3.893 20 0 GHADLP CCC[NH+](CCC)CCCC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC001454463877 1061791780 /nfs/dbraw/zinc/79/17/80/1061791780.db2.gz HEMLLMKQELBUBZ-UHFFFAOYSA-N 2 2 384.568 3.714 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001454503380 1061807259 /nfs/dbraw/zinc/80/72/59/1061807259.db2.gz YNXXUDKFOYPRPU-XUZZJYLKSA-N 2 2 391.559 3.947 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001454503380 1061807280 /nfs/dbraw/zinc/80/72/80/1061807280.db2.gz YNXXUDKFOYPRPU-XUZZJYLKSA-N 2 2 391.559 3.947 20 0 GHADLP CCCN(CC[NH+]1CCCCCC1)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC001436601617 1063561306 /nfs/dbraw/zinc/56/13/06/1063561306.db2.gz ZRJCTTILISXNGZ-UHFFFAOYSA-N 2 2 392.494 3.738 20 0 GHADLP CCCCCCO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001458883345 1063955213 /nfs/dbraw/zinc/95/52/13/1063955213.db2.gz XPEACWQGAYGIKG-BAGYTPMASA-N 2 2 395.632 3.767 20 0 GHADLP CCCCCCO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001458883345 1063955217 /nfs/dbraw/zinc/95/52/17/1063955217.db2.gz XPEACWQGAYGIKG-BAGYTPMASA-N 2 2 395.632 3.767 20 0 GHADLP CC[C@]1(C)CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)C1 ZINC001459564373 1064129092 /nfs/dbraw/zinc/12/90/92/1064129092.db2.gz OOKVXSJWRVFSEO-XMMPIXPASA-N 2 2 385.596 3.966 20 0 GHADLP CC[C@]1(C)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)C1 ZINC001459564373 1064129096 /nfs/dbraw/zinc/12/90/96/1064129096.db2.gz OOKVXSJWRVFSEO-XMMPIXPASA-N 2 2 385.596 3.966 20 0 GHADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001459603406 1064139092 /nfs/dbraw/zinc/13/90/92/1064139092.db2.gz RCJCNZFKPIINBZ-QPPBQGQZSA-N 2 2 385.596 3.868 20 0 GHADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001459603406 1064139096 /nfs/dbraw/zinc/13/90/96/1064139096.db2.gz RCJCNZFKPIINBZ-QPPBQGQZSA-N 2 2 385.596 3.868 20 0 GHADLP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001459603406 1064139099 /nfs/dbraw/zinc/13/90/99/1064139099.db2.gz RCJCNZFKPIINBZ-QPPBQGQZSA-N 2 2 385.596 3.868 20 0 GHADLP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001459603406 1064139103 /nfs/dbraw/zinc/13/91/03/1064139103.db2.gz RCJCNZFKPIINBZ-QPPBQGQZSA-N 2 2 385.596 3.868 20 0 GHADLP Cc1c2cc(C)c(C)cc2sc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001465004067 1065320894 /nfs/dbraw/zinc/32/08/94/1065320894.db2.gz PNAGSSAOORTSAY-QGZVFWFLSA-N 2 2 385.577 3.725 20 0 GHADLP Cc1c2cc(C)c(C)cc2sc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001465004067 1065320900 /nfs/dbraw/zinc/32/09/00/1065320900.db2.gz PNAGSSAOORTSAY-QGZVFWFLSA-N 2 2 385.577 3.725 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001466098314 1065982640 /nfs/dbraw/zinc/98/26/40/1065982640.db2.gz CJJICNDDWNEFAS-UFYCRDLUSA-N 2 2 389.902 3.643 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001466098314 1065982650 /nfs/dbraw/zinc/98/26/50/1065982650.db2.gz CJJICNDDWNEFAS-UFYCRDLUSA-N 2 2 389.902 3.643 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC001357640520 1067210116 /nfs/dbraw/zinc/21/01/16/1067210116.db2.gz HAZWRGGTJJIFLH-MAODMQOUSA-N 2 2 385.939 3.894 20 0 GHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC001357640520 1067210121 /nfs/dbraw/zinc/21/01/21/1067210121.db2.gz HAZWRGGTJJIFLH-MAODMQOUSA-N 2 2 385.939 3.894 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)C[C@@H]3CC=CCC3)CC2)cc1 ZINC001473302260 1067229069 /nfs/dbraw/zinc/22/90/69/1067229069.db2.gz NDTYFZFMMDCMBE-OAQYLSRUSA-N 2 2 383.580 3.742 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)C[C@@H]3CC=CCC3)CC2)cc1 ZINC001473302260 1067229075 /nfs/dbraw/zinc/22/90/75/1067229075.db2.gz NDTYFZFMMDCMBE-OAQYLSRUSA-N 2 2 383.580 3.742 20 0 GHADLP C[C@@H]1CCC[C@](CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)([NH+](C)C)C1 ZINC001468178477 1067622408 /nfs/dbraw/zinc/62/24/08/1067622408.db2.gz YFCSPNQNZQPYQQ-JCFOWACZSA-N 2 2 398.595 3.538 20 0 GHADLP C[C@@H](C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001468323656 1067685068 /nfs/dbraw/zinc/68/50/68/1067685068.db2.gz CBERZWZPAFCXRN-KSZLIROESA-N 2 2 378.520 3.844 20 0 GHADLP C[C@@H](C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001468323656 1067685072 /nfs/dbraw/zinc/68/50/72/1067685072.db2.gz CBERZWZPAFCXRN-KSZLIROESA-N 2 2 378.520 3.844 20 0 GHADLP CC[NH+](CC)CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001468462845 1067740367 /nfs/dbraw/zinc/74/03/67/1067740367.db2.gz SSBNGJLQNDREGB-HXUWFJFHSA-N 2 2 379.976 3.741 20 0 GHADLP CC[NH+](CC)CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001468462845 1067740372 /nfs/dbraw/zinc/74/03/72/1067740372.db2.gz SSBNGJLQNDREGB-HXUWFJFHSA-N 2 2 379.976 3.741 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001460325129 1068925423 /nfs/dbraw/zinc/92/54/23/1068925423.db2.gz HELVGAGTTFFMNM-OALUTQOASA-N 2 2 384.524 3.962 20 0 GHADLP Cc1[nH]c([C@@H]2CCCN2C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)[nH+]c1C ZINC001471860025 1073234931 /nfs/dbraw/zinc/23/49/31/1073234931.db2.gz IIDNGKSCNIFRFJ-RTWAWAEBSA-N 2 2 380.536 3.645 20 0 GHADLP Cc1[nH]c([C@@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)[nH+]c1C ZINC001471860025 1073234938 /nfs/dbraw/zinc/23/49/38/1073234938.db2.gz IIDNGKSCNIFRFJ-RTWAWAEBSA-N 2 2 380.536 3.645 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(C[N@H+](C)CCOc2ccccc2)cc1)n1cc[nH+]c1 ZINC001471881475 1073241989 /nfs/dbraw/zinc/24/19/89/1073241989.db2.gz MGJUCGACQYNLDG-LJQANCHMSA-N 2 2 392.503 3.984 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(C[N@@H+](C)CCOc2ccccc2)cc1)n1cc[nH+]c1 ZINC001471881475 1073241998 /nfs/dbraw/zinc/24/19/98/1073241998.db2.gz MGJUCGACQYNLDG-LJQANCHMSA-N 2 2 392.503 3.984 20 0 GHADLP Cn1ccnc1COc1ccc(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)cc1 ZINC001473778276 1074137156 /nfs/dbraw/zinc/13/71/56/1074137156.db2.gz YGMDPVGMZKLRFJ-UHFFFAOYSA-N 2 2 382.552 3.840 20 0 GHADLP O=C(N[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)c1ccc(Cl)cc1 ZINC001473839870 1074168533 /nfs/dbraw/zinc/16/85/33/1074168533.db2.gz LMURGBYHEPJSNW-FQEVSTJZSA-N 2 2 394.906 3.920 20 0 GHADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)c1ccc(Cl)cc1 ZINC001473839870 1074168536 /nfs/dbraw/zinc/16/85/36/1074168536.db2.gz LMURGBYHEPJSNW-FQEVSTJZSA-N 2 2 394.906 3.920 20 0 GHADLP Cc1nc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)sc1C ZINC001474009625 1074234707 /nfs/dbraw/zinc/23/47/07/1074234707.db2.gz FVAUPNFPNLPZJX-UHFFFAOYSA-N 2 2 398.498 3.820 20 0 GHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001474020146 1074238394 /nfs/dbraw/zinc/23/83/94/1074238394.db2.gz KBWWRCHUFGDJHY-UYAOXDASSA-N 2 2 378.438 3.678 20 0 GHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001474020146 1074238396 /nfs/dbraw/zinc/23/83/96/1074238396.db2.gz KBWWRCHUFGDJHY-UYAOXDASSA-N 2 2 378.438 3.678 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCc2ccc(F)cc21 ZINC001474607659 1074482327 /nfs/dbraw/zinc/48/23/27/1074482327.db2.gz CGJNWDNSBBACPL-IBGZPJMESA-N 2 2 398.522 3.699 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCc2ccc(F)cc21 ZINC001474607659 1074482331 /nfs/dbraw/zinc/48/23/31/1074482331.db2.gz CGJNWDNSBBACPL-IBGZPJMESA-N 2 2 398.522 3.699 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824546199 609331418 /nfs/dbraw/zinc/33/14/18/609331418.db2.gz HEGYGTCTAMGCFD-HNNXBMFYSA-N 2 2 386.519 3.701 20 0 GHADLP COc1cc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)[nH+]c2ccccc21 ZINC001164650347 719313550 /nfs/dbraw/zinc/31/35/50/719313550.db2.gz CCNXUDAHCBBIRZ-UHFFFAOYSA-N 2 2 379.508 3.645 20 0 GHADLP CCCN(CCC)c1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc[nH+]1 ZINC001164858135 720982503 /nfs/dbraw/zinc/98/25/03/720982503.db2.gz HSFUGFSIKLMRFV-SFHVURJKSA-N 2 2 399.587 3.721 20 0 GHADLP CCCN(CCC)c1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc[nH+]1 ZINC001164858135 720982517 /nfs/dbraw/zinc/98/25/17/720982517.db2.gz HSFUGFSIKLMRFV-SFHVURJKSA-N 2 2 399.587 3.721 20 0 GHADLP Cc1ccc2c(C)cc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)[nH+]c2c1C ZINC001165010410 721746238 /nfs/dbraw/zinc/74/62/38/721746238.db2.gz MHLOHNZHAZGNFM-UHFFFAOYSA-N 2 2 394.563 3.683 20 0 GHADLP CC(C)(C)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)[nH+]c1 ZINC001164966488 722062594 /nfs/dbraw/zinc/06/25/94/722062594.db2.gz UZKYRXXRSKCCEE-UHFFFAOYSA-N 2 2 394.563 3.893 20 0 GHADLP CC(C)(C)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)[nH+]c1 ZINC001164966488 722062596 /nfs/dbraw/zinc/06/25/96/722062596.db2.gz UZKYRXXRSKCCEE-UHFFFAOYSA-N 2 2 394.563 3.893 20 0 GHADLP CCN(C)c1cc(C)[nH+]c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164991114 722190824 /nfs/dbraw/zinc/19/08/24/722190824.db2.gz ZCUYXSAZFOAIGP-QFIPXVFZSA-N 2 2 383.515 3.625 20 0 GHADLP CCN(C)c1cc(C)[nH+]c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164991114 722190827 /nfs/dbraw/zinc/19/08/27/722190827.db2.gz ZCUYXSAZFOAIGP-QFIPXVFZSA-N 2 2 383.515 3.625 20 0 GHADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1OC1CCCC1 ZINC000655692816 837676381 /nfs/dbraw/zinc/67/63/81/837676381.db2.gz VJSQVIXPJNJTKW-YLJYHZDGSA-N 2 2 388.552 3.921 20 0 GHADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1OCC(C)C ZINC000655700840 837682932 /nfs/dbraw/zinc/68/29/32/837682932.db2.gz MSBNQPWZIWYHDX-XLIONFOSSA-N 2 2 376.541 3.634 20 0 GHADLP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655701467 837692305 /nfs/dbraw/zinc/69/23/05/837692305.db2.gz XEEDOGHIWZEAMY-ISKFKSNPSA-N 2 2 398.522 3.961 20 0 GHADLP Brc1ccc(C2([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCC2)cc1 ZINC000655741511 837789089 /nfs/dbraw/zinc/78/90/89/837789089.db2.gz JTEZCHKVAXIRJP-GOSISDBHSA-N 2 2 379.342 3.671 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000579779983 834658972 /nfs/dbraw/zinc/65/89/72/834658972.db2.gz XIKQMPLEQBDDOT-IHWFROFDSA-N 2 2 375.476 3.651 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000579779983 834658978 /nfs/dbraw/zinc/65/89/78/834658978.db2.gz XIKQMPLEQBDDOT-IHWFROFDSA-N 2 2 375.476 3.651 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066080 834664780 /nfs/dbraw/zinc/66/47/80/834664780.db2.gz YZYDBIMUCJZBGZ-QPPBQGQZSA-N 2 2 378.564 3.997 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000655743381 837795344 /nfs/dbraw/zinc/79/53/44/837795344.db2.gz HJJZJMQAKYOHRY-CZUORRHYSA-N 2 2 377.330 3.516 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000655743381 837795346 /nfs/dbraw/zinc/79/53/46/837795346.db2.gz HJJZJMQAKYOHRY-CZUORRHYSA-N 2 2 377.330 3.516 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066080 834664789 /nfs/dbraw/zinc/66/47/89/834664789.db2.gz YZYDBIMUCJZBGZ-QPPBQGQZSA-N 2 2 378.564 3.997 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066080 834664793 /nfs/dbraw/zinc/66/47/93/834664793.db2.gz YZYDBIMUCJZBGZ-QPPBQGQZSA-N 2 2 378.564 3.997 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066080 834664802 /nfs/dbraw/zinc/66/48/02/834664802.db2.gz YZYDBIMUCJZBGZ-QPPBQGQZSA-N 2 2 378.564 3.997 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[N@H+](C)C3CC[NH+](C(C)C)CC3)c2C)cc1 ZINC000468391745 834944317 /nfs/dbraw/zinc/94/43/17/834944317.db2.gz GHBXPPZZDQTXSN-UHFFFAOYSA-N 2 2 384.568 3.861 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[N@@H+](C)C3CC[NH+](C(C)C)CC3)c2C)cc1 ZINC000468391745 834944323 /nfs/dbraw/zinc/94/43/23/834944323.db2.gz GHBXPPZZDQTXSN-UHFFFAOYSA-N 2 2 384.568 3.861 20 0 GHADLP C[C@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000066393926 835108727 /nfs/dbraw/zinc/10/87/27/835108727.db2.gz PKXORKHJXGXDST-MRXNPFEDSA-N 2 2 399.501 3.683 20 0 GHADLP C[C@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000066393926 835108732 /nfs/dbraw/zinc/10/87/32/835108732.db2.gz PKXORKHJXGXDST-MRXNPFEDSA-N 2 2 399.501 3.683 20 0 GHADLP CN(C(=O)Nc1ccc(Cl)cn1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246934809 835138495 /nfs/dbraw/zinc/13/84/95/835138495.db2.gz SBZXBSPEMUVOGH-ZWKOTPCHSA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1ccc(Cl)cn1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246934809 835138500 /nfs/dbraw/zinc/13/85/00/835138500.db2.gz SBZXBSPEMUVOGH-ZWKOTPCHSA-N 2 2 393.963 3.536 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000685579657 835190063 /nfs/dbraw/zinc/19/00/63/835190063.db2.gz CUBMKWPSPCYOMU-QZTJIDSGSA-N 2 2 379.504 3.600 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Br)cn1 ZINC000579821764 835190208 /nfs/dbraw/zinc/19/02/08/835190208.db2.gz SOEOGYYWNBTENF-CJNGLKHVSA-N 2 2 390.329 3.553 20 0 GHADLP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)C(F)(F)F)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000579824693 835223998 /nfs/dbraw/zinc/22/39/98/835223998.db2.gz RBSAAYWLGJVDGW-VHDGCEQUSA-N 2 2 384.364 3.601 20 0 GHADLP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)C(F)(F)F)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000579824693 835224003 /nfs/dbraw/zinc/22/40/03/835224003.db2.gz RBSAAYWLGJVDGW-VHDGCEQUSA-N 2 2 384.364 3.601 20 0 GHADLP C[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)Oc1cccc(Br)c1 ZINC000512970113 844037528 /nfs/dbraw/zinc/03/75/28/844037528.db2.gz NYWFNFGVIYXESD-OAHLLOKOSA-N 2 2 390.325 3.870 20 0 GHADLP COc1ccccc1-c1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000430241782 835347861 /nfs/dbraw/zinc/34/78/61/835347861.db2.gz OLUJPBFCLZOLRH-GHTZIAJQSA-N 2 2 378.520 3.601 20 0 GHADLP COc1ccccc1-c1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000430241782 835347872 /nfs/dbraw/zinc/34/78/72/835347872.db2.gz OLUJPBFCLZOLRH-GHTZIAJQSA-N 2 2 378.520 3.601 20 0 GHADLP COc1ccccc1-c1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000430241782 835347882 /nfs/dbraw/zinc/34/78/82/835347882.db2.gz OLUJPBFCLZOLRH-GHTZIAJQSA-N 2 2 378.520 3.601 20 0 GHADLP COc1ccccc1-c1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000430241782 835347891 /nfs/dbraw/zinc/34/78/91/835347891.db2.gz OLUJPBFCLZOLRH-GHTZIAJQSA-N 2 2 378.520 3.601 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000151324771 835377025 /nfs/dbraw/zinc/37/70/25/835377025.db2.gz VAEREGMZJXSOHS-LJQANCHMSA-N 3 2 378.520 3.723 20 0 GHADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cnc(C(F)(F)F)nc2)CC1 ZINC000658083067 835409102 /nfs/dbraw/zinc/40/91/02/835409102.db2.gz PSPYELWXSJBNBQ-OAHLLOKOSA-N 2 2 378.442 3.681 20 0 GHADLP CO[C@](C)(C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)COCc1ccccc1 ZINC000658130947 835441073 /nfs/dbraw/zinc/44/10/73/835441073.db2.gz AOIFHKZTXCIBSV-NKKJXINNSA-N 2 2 397.563 3.504 20 0 GHADLP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)COCc1ccccc1 ZINC000658130947 835441076 /nfs/dbraw/zinc/44/10/76/835441076.db2.gz AOIFHKZTXCIBSV-NKKJXINNSA-N 2 2 397.563 3.504 20 0 GHADLP Brc1ccccc1C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000658294300 835559196 /nfs/dbraw/zinc/55/91/96/835559196.db2.gz GYPCSUHUVOVJFC-AZUAARDMSA-N 2 2 393.369 3.613 20 0 GHADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295647 835560834 /nfs/dbraw/zinc/56/08/34/835560834.db2.gz UBBRNZMTHVKHAQ-UZLBHIALSA-N 2 2 385.577 3.946 20 0 GHADLP Cc1cc(Br)cc2c1[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CC2 ZINC000658296785 835561668 /nfs/dbraw/zinc/56/16/68/835561668.db2.gz VWEOJNVXPIKTQO-QZTJIDSGSA-N 2 2 379.342 3.588 20 0 GHADLP CCOc1ccccc1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274811481 835576855 /nfs/dbraw/zinc/57/68/55/835576855.db2.gz HXLBEQNCGDIYGH-AZUAARDMSA-N 2 2 381.520 3.524 20 0 GHADLP CCOc1ccccc1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274811481 835576864 /nfs/dbraw/zinc/57/68/64/835576864.db2.gz HXLBEQNCGDIYGH-AZUAARDMSA-N 2 2 381.520 3.524 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000179497987 835581169 /nfs/dbraw/zinc/58/11/69/835581169.db2.gz HNBGUVWCPOYCPM-UHFFFAOYSA-N 2 2 388.821 3.824 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000179497987 835581172 /nfs/dbraw/zinc/58/11/72/835581172.db2.gz HNBGUVWCPOYCPM-UHFFFAOYSA-N 2 2 388.821 3.824 20 0 GHADLP CN(CCC[N@H+](C)Cc1csc(-c2ccc(Cl)cc2)n1)CC[NH+](C)C ZINC000584195763 835746032 /nfs/dbraw/zinc/74/60/32/835746032.db2.gz QIUGEFAWFIEWTJ-UHFFFAOYSA-N 2 2 380.989 3.779 20 0 GHADLP CN(CCC[N@@H+](C)Cc1csc(-c2ccc(Cl)cc2)n1)CC[NH+](C)C ZINC000584195763 835746039 /nfs/dbraw/zinc/74/60/39/835746039.db2.gz QIUGEFAWFIEWTJ-UHFFFAOYSA-N 2 2 380.989 3.779 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000429952017 844086939 /nfs/dbraw/zinc/08/69/39/844086939.db2.gz RSZNSVGGOLZGOS-KRWDZBQOSA-N 2 2 381.524 3.882 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000429952017 844086949 /nfs/dbraw/zinc/08/69/49/844086949.db2.gz RSZNSVGGOLZGOS-KRWDZBQOSA-N 2 2 381.524 3.882 20 0 GHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000109792237 836712268 /nfs/dbraw/zinc/71/22/68/836712268.db2.gz LRIJJBCTHSSVCE-UHFFFAOYSA-N 2 2 390.487 3.738 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)NCCCCNc2cccc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000175637261 836935906 /nfs/dbraw/zinc/93/59/06/836935906.db2.gz BAOPVUZELRZMEE-CTNGQTDRSA-N 2 2 395.551 3.626 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)NCCCCNc2cccc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000175637261 836935912 /nfs/dbraw/zinc/93/59/12/836935912.db2.gz BAOPVUZELRZMEE-CTNGQTDRSA-N 2 2 395.551 3.626 20 0 GHADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000119875281 836962232 /nfs/dbraw/zinc/96/22/32/836962232.db2.gz QDMNDWMEEWZHDA-ROUUACIJSA-N 2 2 383.517 3.694 20 0 GHADLP Cc1ccccc1[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000175757214 836984429 /nfs/dbraw/zinc/98/44/29/836984429.db2.gz JJUZYIAWPHCLTA-NRFANRHFSA-N 2 2 388.600 3.750 20 0 GHADLP Cc1ccccc1[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000175757214 836984439 /nfs/dbraw/zinc/98/44/39/836984439.db2.gz JJUZYIAWPHCLTA-NRFANRHFSA-N 2 2 388.600 3.750 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1)C1CC1 ZINC000511423288 837212260 /nfs/dbraw/zinc/21/22/60/837212260.db2.gz VYXQZFPZFUUUGE-UHFFFAOYSA-N 2 2 388.515 3.846 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1)C1CC1 ZINC000511423288 837212269 /nfs/dbraw/zinc/21/22/69/837212269.db2.gz VYXQZFPZFUUUGE-UHFFFAOYSA-N 2 2 388.515 3.846 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000893049283 837847483 /nfs/dbraw/zinc/84/74/83/837847483.db2.gz ZJZIWXJWRBIULJ-PXNSSMCTSA-N 2 2 378.438 3.736 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000893049283 837847488 /nfs/dbraw/zinc/84/74/88/837847488.db2.gz ZJZIWXJWRBIULJ-PXNSSMCTSA-N 2 2 378.438 3.736 20 0 GHADLP Fc1ccc(Oc2cccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)n2)cc1 ZINC000655793176 837914750 /nfs/dbraw/zinc/91/47/50/837914750.db2.gz VOIIVXVTKYPLPH-OAQYLSRUSA-N 2 2 385.483 3.746 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1OCc1ccc(F)cc1 ZINC000377788107 837968251 /nfs/dbraw/zinc/96/82/51/837968251.db2.gz UBABUZWFNXDNTF-GOSISDBHSA-N 2 2 381.451 3.784 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655847855 838046602 /nfs/dbraw/zinc/04/66/02/838046602.db2.gz DLGCJBGNJSQEGT-NSISKUIASA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655847855 838046612 /nfs/dbraw/zinc/04/66/12/838046612.db2.gz DLGCJBGNJSQEGT-NSISKUIASA-N 2 2 377.960 3.684 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655850353 838052419 /nfs/dbraw/zinc/05/24/19/838052419.db2.gz VDTNFRUACKETFH-YXJHDRRASA-N 2 2 379.932 3.672 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655850353 838052431 /nfs/dbraw/zinc/05/24/31/838052431.db2.gz VDTNFRUACKETFH-YXJHDRRASA-N 2 2 379.932 3.672 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3nc4ccccc4n3C(F)F)C2)CC1 ZINC000377914421 838153490 /nfs/dbraw/zinc/15/34/90/838153490.db2.gz PHHYGJCTUQBVOF-SJORKVTESA-N 2 2 391.510 3.593 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3nc4ccccc4n3C(F)F)C2)CC1 ZINC000377914421 838153496 /nfs/dbraw/zinc/15/34/96/838153496.db2.gz PHHYGJCTUQBVOF-SJORKVTESA-N 2 2 391.510 3.593 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)ccn12 ZINC000576358259 844302750 /nfs/dbraw/zinc/30/27/50/844302750.db2.gz YYFBTSZJGOMPPY-UHFFFAOYSA-N 2 2 378.476 3.760 20 0 GHADLP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000415936577 838290556 /nfs/dbraw/zinc/29/05/56/838290556.db2.gz WVVOLOZTJZATDF-VQTJNVASSA-N 2 2 388.462 3.641 20 0 GHADLP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000415936577 838290562 /nfs/dbraw/zinc/29/05/62/838290562.db2.gz WVVOLOZTJZATDF-VQTJNVASSA-N 2 2 388.462 3.641 20 0 GHADLP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000415936572 838290606 /nfs/dbraw/zinc/29/06/06/838290606.db2.gz WVVOLOZTJZATDF-PMACEKPBSA-N 2 2 388.462 3.641 20 0 GHADLP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000415936572 838290609 /nfs/dbraw/zinc/29/06/09/838290609.db2.gz WVVOLOZTJZATDF-PMACEKPBSA-N 2 2 388.462 3.641 20 0 GHADLP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000415940303 838292657 /nfs/dbraw/zinc/29/26/57/838292657.db2.gz DEYVVUKNWRMZDP-SFHVURJKSA-N 2 2 396.535 3.715 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3c3cccc4ccccc43)CC2)CC1 ZINC000107578659 838782358 /nfs/dbraw/zinc/78/23/58/838782358.db2.gz GGDIAAPLYQRNCV-DNQXCXABSA-N 2 2 391.559 3.618 20 0 GHADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000431866067 839051763 /nfs/dbraw/zinc/05/17/63/839051763.db2.gz DQMLVNHMURZHCI-FCHUYYIVSA-N 2 2 397.567 3.631 20 0 GHADLP O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613644763 839059177 /nfs/dbraw/zinc/05/91/77/839059177.db2.gz YSFCHNOQCFMZDZ-JOCHJYFZSA-N 2 2 387.543 3.733 20 0 GHADLP Cc1cccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549166874 839119666 /nfs/dbraw/zinc/11/96/66/839119666.db2.gz SOZYYQDSQNFMHK-JOCHJYFZSA-N 2 2 379.548 3.502 20 0 GHADLP Cc1cccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549166874 839119673 /nfs/dbraw/zinc/11/96/73/839119673.db2.gz SOZYYQDSQNFMHK-JOCHJYFZSA-N 2 2 379.548 3.502 20 0 GHADLP COc1cccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549166190 839133839 /nfs/dbraw/zinc/13/38/39/839133839.db2.gz RDRATLBUUSIEAE-OAQYLSRUSA-N 2 2 381.520 3.524 20 0 GHADLP COc1cccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549166190 839133845 /nfs/dbraw/zinc/13/38/45/839133845.db2.gz RDRATLBUUSIEAE-OAQYLSRUSA-N 2 2 381.520 3.524 20 0 GHADLP Brc1ccc(-c2c[nH]c(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000415057086 839139703 /nfs/dbraw/zinc/13/97/03/839139703.db2.gz TWGPUWQSQYXYJH-CRAIPNDOSA-N 2 2 389.341 3.803 20 0 GHADLP Brc1ccc(-c2c[nH]c(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000415057086 839139707 /nfs/dbraw/zinc/13/97/07/839139707.db2.gz TWGPUWQSQYXYJH-CRAIPNDOSA-N 2 2 389.341 3.803 20 0 GHADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000655353576 839331895 /nfs/dbraw/zinc/33/18/95/839331895.db2.gz UOSPIMDGVCJFCV-TYPHKJRUSA-N 2 2 384.568 3.626 20 0 GHADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000655353576 839331902 /nfs/dbraw/zinc/33/19/02/839331902.db2.gz UOSPIMDGVCJFCV-TYPHKJRUSA-N 2 2 384.568 3.626 20 0 GHADLP CC[N@H+](CCC1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1)CC1CC1 ZINC000557171085 839753735 /nfs/dbraw/zinc/75/37/35/839753735.db2.gz PLNFKYOICBHZMB-UHFFFAOYSA-N 2 2 382.552 3.546 20 0 GHADLP CC[N@@H+](CCC1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1)CC1CC1 ZINC000557171085 839753747 /nfs/dbraw/zinc/75/37/47/839753747.db2.gz PLNFKYOICBHZMB-UHFFFAOYSA-N 2 2 382.552 3.546 20 0 GHADLP Cn1c[nH+]cc1CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000565154621 839778412 /nfs/dbraw/zinc/77/84/12/839778412.db2.gz AXGRHHZTGORESW-UHFFFAOYSA-N 2 2 397.910 3.542 20 0 GHADLP Cn1c[nH+]cc1CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000565154621 839778430 /nfs/dbraw/zinc/77/84/30/839778430.db2.gz AXGRHHZTGORESW-UHFFFAOYSA-N 2 2 397.910 3.542 20 0 GHADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000511526921 839812962 /nfs/dbraw/zinc/81/29/62/839812962.db2.gz SEYUWTFMCVMHMR-UHFFFAOYSA-N 2 2 375.538 3.805 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000656253335 839834811 /nfs/dbraw/zinc/83/48/11/839834811.db2.gz KAMZXMHBMXVGSJ-RDTXWAMCSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000656253335 839834818 /nfs/dbraw/zinc/83/48/18/839834818.db2.gz KAMZXMHBMXVGSJ-RDTXWAMCSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000656253335 839834822 /nfs/dbraw/zinc/83/48/22/839834822.db2.gz KAMZXMHBMXVGSJ-RDTXWAMCSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000656253335 839834830 /nfs/dbraw/zinc/83/48/30/839834830.db2.gz KAMZXMHBMXVGSJ-RDTXWAMCSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000656253334 839835284 /nfs/dbraw/zinc/83/52/84/839835284.db2.gz KAMZXMHBMXVGSJ-KSSFIOAISA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000656253334 839835290 /nfs/dbraw/zinc/83/52/90/839835290.db2.gz KAMZXMHBMXVGSJ-KSSFIOAISA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000656253334 839835297 /nfs/dbraw/zinc/83/52/97/839835297.db2.gz KAMZXMHBMXVGSJ-KSSFIOAISA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000656253334 839835305 /nfs/dbraw/zinc/83/53/05/839835305.db2.gz KAMZXMHBMXVGSJ-KSSFIOAISA-N 2 2 391.357 3.858 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)s1 ZINC000893019025 839947833 /nfs/dbraw/zinc/94/78/33/839947833.db2.gz IRGDBTNUDBRPGE-CZUORRHYSA-N 2 2 379.551 3.554 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s1 ZINC000893019025 839947840 /nfs/dbraw/zinc/94/78/40/839947840.db2.gz IRGDBTNUDBRPGE-CZUORRHYSA-N 2 2 379.551 3.554 20 0 GHADLP Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)oc2c1c(C)ccc2C ZINC000601476410 840148810 /nfs/dbraw/zinc/14/88/10/840148810.db2.gz DGGOVABTPSVSNK-LJQANCHMSA-N 2 2 383.536 3.599 20 0 GHADLP Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)oc2c1c(C)ccc2C ZINC000601476410 840148817 /nfs/dbraw/zinc/14/88/17/840148817.db2.gz DGGOVABTPSVSNK-LJQANCHMSA-N 2 2 383.536 3.599 20 0 GHADLP COc1ccc(OC2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000581005047 840584347 /nfs/dbraw/zinc/58/43/47/840584347.db2.gz HAXTXAFWCZSSCI-UHFFFAOYSA-N 2 2 396.531 3.571 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000050799342 840819954 /nfs/dbraw/zinc/81/99/54/840819954.db2.gz IJWYAGFTDLYICM-JXMROGBWSA-N 2 2 383.580 3.672 20 0 GHADLP CN(C(=O)[C@H]1CCc2ccccc2C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000584843675 841056849 /nfs/dbraw/zinc/05/68/49/841056849.db2.gz SCBLKHWJKJGBNW-QTJGBDASSA-N 2 2 397.607 3.587 20 0 GHADLP CN(C(=O)[C@H]1CCc2ccccc2C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000584843675 841056858 /nfs/dbraw/zinc/05/68/58/841056858.db2.gz SCBLKHWJKJGBNW-QTJGBDASSA-N 2 2 397.607 3.587 20 0 GHADLP CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660673782 841088168 /nfs/dbraw/zinc/08/81/68/841088168.db2.gz FPXAGRBHTWSXJL-QFIPXVFZSA-N 2 2 382.548 3.804 20 0 GHADLP C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001167458006 841253916 /nfs/dbraw/zinc/25/39/16/841253916.db2.gz OMRKRICQVNGYCJ-NRFANRHFSA-N 2 2 378.564 3.946 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC2([NH+](C)C)CCCCCC2)c1C ZINC000060533240 841369611 /nfs/dbraw/zinc/36/96/11/841369611.db2.gz UAOLSYVRDALEIX-UHFFFAOYSA-N 2 2 376.545 3.503 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(C4CCCCC4)CCCCC3)C2)CC1 ZINC000684281649 841526097 /nfs/dbraw/zinc/52/60/97/841526097.db2.gz KPLHDASGORTCNQ-HXUWFJFHSA-N 2 2 375.601 3.802 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(C4CCCCC4)CCCCC3)C2)CC1 ZINC000684281649 841526107 /nfs/dbraw/zinc/52/61/07/841526107.db2.gz KPLHDASGORTCNQ-HXUWFJFHSA-N 2 2 375.601 3.802 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc2c(c1)CCC2 ZINC000481400442 861251674 /nfs/dbraw/zinc/25/16/74/861251674.db2.gz HBGRSEOWXYSGHH-LJQANCHMSA-N 2 2 380.532 3.737 20 0 GHADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000656790140 841930342 /nfs/dbraw/zinc/93/03/42/841930342.db2.gz KMISBZAJOFCDIX-VABKMULXSA-N 2 2 384.495 3.619 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000177903517 861281313 /nfs/dbraw/zinc/28/13/13/861281313.db2.gz XEIUYNPFNGDOLH-JXFKEZNVSA-N 2 2 393.453 3.979 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000177903517 861281322 /nfs/dbraw/zinc/28/13/22/861281322.db2.gz XEIUYNPFNGDOLH-JXFKEZNVSA-N 2 2 393.453 3.979 20 0 GHADLP CCN1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000511959376 842578126 /nfs/dbraw/zinc/57/81/26/842578126.db2.gz FKYFUFFHNUZHLL-LPHOPBHVSA-N 2 2 398.498 3.547 20 0 GHADLP COC(=O)c1cnc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)s1 ZINC000599555339 861331378 /nfs/dbraw/zinc/33/13/78/861331378.db2.gz IQNZDDKYTYZAKS-UHFFFAOYSA-N 2 2 396.516 3.803 20 0 GHADLP Brc1ccc(-n2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cn2)cc1 ZINC000510538354 842924234 /nfs/dbraw/zinc/92/42/34/842924234.db2.gz LOXCNQNADNLVNU-HNNXBMFYSA-N 2 2 386.297 3.738 20 0 GHADLP Brc1ccc(-n2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cn2)cc1 ZINC000510538354 842924241 /nfs/dbraw/zinc/92/42/41/842924241.db2.gz LOXCNQNADNLVNU-HNNXBMFYSA-N 2 2 386.297 3.738 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000178441739 861367481 /nfs/dbraw/zinc/36/74/81/861367481.db2.gz FRLMMVWCKBCJKE-UHFFFAOYSA-N 2 2 388.821 3.824 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000178441739 861367502 /nfs/dbraw/zinc/36/75/02/861367502.db2.gz FRLMMVWCKBCJKE-UHFFFAOYSA-N 2 2 388.821 3.824 20 0 GHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662245730 843005044 /nfs/dbraw/zinc/00/50/44/843005044.db2.gz OFDRPMIEVXWSPC-VXGBXAGGSA-N 2 2 395.263 3.949 20 0 GHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662245730 843005052 /nfs/dbraw/zinc/00/50/52/843005052.db2.gz OFDRPMIEVXWSPC-VXGBXAGGSA-N 2 2 395.263 3.949 20 0 GHADLP Cc1ccc(N2CCC(C(=O)Nc3ccc(C[NH+](C)C)c(Cl)c3)CC2)[nH+]c1 ZINC000684509772 843007332 /nfs/dbraw/zinc/00/73/32/843007332.db2.gz GJSPDDAJHMUHKF-UHFFFAOYSA-N 2 2 386.927 3.960 20 0 GHADLP CN(C)C(=O)[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000663305631 843064794 /nfs/dbraw/zinc/06/47/94/843064794.db2.gz AEHJHBOXVMHVPT-GOTSBHOMSA-N 2 2 391.559 3.708 20 0 GHADLP CN(C)C(=O)[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000663305631 843064809 /nfs/dbraw/zinc/06/48/09/843064809.db2.gz AEHJHBOXVMHVPT-GOTSBHOMSA-N 2 2 391.559 3.708 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1OC)c1ccccc1Cl ZINC000430855317 843083945 /nfs/dbraw/zinc/08/39/45/843083945.db2.gz SATLOAAQXZSUPJ-AZUAARDMSA-N 2 2 389.927 3.548 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000535657535 843350029 /nfs/dbraw/zinc/35/00/29/843350029.db2.gz CRWJXUWXPHAHCR-DLBZAZTESA-N 2 2 377.941 3.638 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000535657535 843350043 /nfs/dbraw/zinc/35/00/43/843350043.db2.gz CRWJXUWXPHAHCR-DLBZAZTESA-N 2 2 377.941 3.638 20 0 GHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCC2([NH+](C)C)CC2)n1 ZINC000419008820 843876793 /nfs/dbraw/zinc/87/67/93/843876793.db2.gz MDPZZAVXNVAZDU-UHFFFAOYSA-N 2 2 381.549 3.926 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)o1 ZINC000237857444 843982494 /nfs/dbraw/zinc/98/24/94/843982494.db2.gz ARTOBNHGNTWBCZ-UHFFFAOYSA-N 2 2 393.535 3.588 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(C[NH+](C)C)c(C)c3)cn2c1 ZINC000458292176 844797352 /nfs/dbraw/zinc/79/73/52/844797352.db2.gz UEXPYDLHARCBTC-UHFFFAOYSA-N 2 2 382.533 3.885 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CCC2 ZINC000512624205 844817839 /nfs/dbraw/zinc/81/78/39/844817839.db2.gz ICEKSZASGGVYNB-CWBXHPNXSA-N 3 2 378.564 3.959 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CCC2 ZINC000512624205 844817846 /nfs/dbraw/zinc/81/78/46/844817846.db2.gz ICEKSZASGGVYNB-CWBXHPNXSA-N 3 2 378.564 3.959 20 0 GHADLP C[NH+]1CCN([C@@H](C[NH2+]Cc2nc3ccc(F)cc3s2)c2cccs2)CC1 ZINC000555656881 861511204 /nfs/dbraw/zinc/51/12/04/861511204.db2.gz CILIOJIPZVLMIE-INIZCTEOSA-N 2 2 390.553 3.575 20 0 GHADLP C(=C\c1ccccc1)\C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512658139 844926720 /nfs/dbraw/zinc/92/67/20/844926720.db2.gz OFUCKEYZQKFMTC-JLAMGPFISA-N 2 2 376.548 3.629 20 0 GHADLP C(=C\c1ccccc1)\C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512658139 844926727 /nfs/dbraw/zinc/92/67/27/844926727.db2.gz OFUCKEYZQKFMTC-JLAMGPFISA-N 2 2 376.548 3.629 20 0 GHADLP COC1CC[NH+](C(C)(C)CNC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000513203638 845045436 /nfs/dbraw/zinc/04/54/36/845045436.db2.gz HPKDOHWMIGXBEN-UHFFFAOYSA-N 2 2 394.003 3.783 20 0 GHADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000512690024 845045569 /nfs/dbraw/zinc/04/55/69/845045569.db2.gz KWYPEWNAPYOLBP-QFIPXVFZSA-N 2 2 394.563 3.515 20 0 GHADLP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000512690024 845045576 /nfs/dbraw/zinc/04/55/76/845045576.db2.gz KWYPEWNAPYOLBP-QFIPXVFZSA-N 2 2 394.563 3.515 20 0 GHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)Cn1cc(Br)cn1)c1ccccc1 ZINC000469087435 845051670 /nfs/dbraw/zinc/05/16/70/845051670.db2.gz VUPNPXUNVUMVER-LSDHHAIUSA-N 2 2 379.346 3.753 20 0 GHADLP O=C(CC[C@H]1CC[NH2+]C1)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000261734289 845099885 /nfs/dbraw/zinc/09/98/85/845099885.db2.gz GEFWDCOVUIVLIQ-IBGZPJMESA-N 2 2 388.515 3.604 20 0 GHADLP CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)[NH+](C)C)cc1 ZINC000513340220 845245491 /nfs/dbraw/zinc/24/54/91/845245491.db2.gz HUOHVJNMLMJSNA-JOCHJYFZSA-N 2 2 397.567 3.800 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@]3(CCN(c4cc(N5CCCC5)[nH+]cn4)C3)C2)cc1 ZINC000433747661 845294995 /nfs/dbraw/zinc/29/49/95/845294995.db2.gz GSBLPHIHHANUGC-QHCPKHFHSA-N 2 2 377.536 3.569 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@]3(CCN(c4cc(N5CCCC5)[nH+]cn4)C3)C2)cc1 ZINC000433747661 845294998 /nfs/dbraw/zinc/29/49/98/845294998.db2.gz GSBLPHIHHANUGC-QHCPKHFHSA-N 2 2 377.536 3.569 20 0 GHADLP CCN(CCC[NH+]1CCCC1)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000472004363 845308715 /nfs/dbraw/zinc/30/87/15/845308715.db2.gz YDOTYIXDJYBGNK-KRWDZBQOSA-N 2 2 393.601 3.715 20 0 GHADLP CCN(CCC[NH+]1CCCC1)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000472004363 845308723 /nfs/dbraw/zinc/30/87/23/845308723.db2.gz YDOTYIXDJYBGNK-KRWDZBQOSA-N 2 2 393.601 3.715 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1nc2c(s1)CCCC2 ZINC000179402043 861565990 /nfs/dbraw/zinc/56/59/90/861565990.db2.gz JJHVCAVCDVYJDG-QGZVFWFLSA-N 2 2 384.593 3.620 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1nc2c(s1)CCCC2 ZINC000179402043 861565993 /nfs/dbraw/zinc/56/59/93/861565993.db2.gz JJHVCAVCDVYJDG-QGZVFWFLSA-N 2 2 384.593 3.620 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc(-c3ccccc3)n[nH]2)[C@@H]1c1cnn(C)c1 ZINC000434000555 845718808 /nfs/dbraw/zinc/71/88/08/845718808.db2.gz BFVZRBLERSWLOP-WMZHIEFXSA-N 2 2 392.551 3.715 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc(-c3ccccc3)n[nH]2)[C@@H]1c1cnn(C)c1 ZINC000434000555 845718815 /nfs/dbraw/zinc/71/88/15/845718815.db2.gz BFVZRBLERSWLOP-WMZHIEFXSA-N 2 2 392.551 3.715 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)[C@@H]1c1cnn(C)c1 ZINC000434000555 845718822 /nfs/dbraw/zinc/71/88/22/845718822.db2.gz BFVZRBLERSWLOP-WMZHIEFXSA-N 2 2 392.551 3.715 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc(-c3ccccc3)n[nH]2)[C@@H]1c1cnn(C)c1 ZINC000434000555 845718826 /nfs/dbraw/zinc/71/88/26/845718826.db2.gz BFVZRBLERSWLOP-WMZHIEFXSA-N 2 2 392.551 3.715 20 0 GHADLP Cc1c(F)cccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000421505205 846314031 /nfs/dbraw/zinc/31/40/31/846314031.db2.gz IDLPBOAOGLJYGG-NHCUHLMSSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1c(F)cccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000421505205 846314040 /nfs/dbraw/zinc/31/40/40/846314040.db2.gz IDLPBOAOGLJYGG-NHCUHLMSSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1ccccc1-n1nccc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000280452896 846403198 /nfs/dbraw/zinc/40/31/98/846403198.db2.gz ZADGOIMUBDHABR-IBGZPJMESA-N 2 2 375.520 3.891 20 0 GHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000513697880 846453967 /nfs/dbraw/zinc/45/39/67/846453967.db2.gz TVYNNXSMMVAUNM-UHFFFAOYSA-N 2 2 398.378 3.760 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000502886340 846598527 /nfs/dbraw/zinc/59/85/27/846598527.db2.gz GBZFOKJECLKOKL-LJQANCHMSA-N 2 2 387.572 3.526 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000502886340 846598534 /nfs/dbraw/zinc/59/85/34/846598534.db2.gz GBZFOKJECLKOKL-LJQANCHMSA-N 2 2 387.572 3.526 20 0 GHADLP CCSCc1ccccc1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422026183 846756191 /nfs/dbraw/zinc/75/61/91/846756191.db2.gz UIVCLRQNOOSJLP-UHFFFAOYSA-N 2 2 389.609 3.572 20 0 GHADLP CCSCc1ccccc1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422026183 846756202 /nfs/dbraw/zinc/75/62/02/846756202.db2.gz UIVCLRQNOOSJLP-UHFFFAOYSA-N 2 2 389.609 3.572 20 0 GHADLP CC[C@H](C)[C@@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422027089 846758483 /nfs/dbraw/zinc/75/84/83/846758483.db2.gz VQYCWRYKIIWTSM-NZQKXSOJSA-N 2 2 385.596 3.835 20 0 GHADLP CC[C@H](C)[C@@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422027089 846758492 /nfs/dbraw/zinc/75/84/92/846758492.db2.gz VQYCWRYKIIWTSM-NZQKXSOJSA-N 2 2 385.596 3.835 20 0 GHADLP COc1ccc([C@@H](CNC(=O)NCc2cc(C)[nH+]c(C)c2)[NH+]2CCCCC2)cc1 ZINC000422129590 846831027 /nfs/dbraw/zinc/83/10/27/846831027.db2.gz GXJIGRHGMCJBAP-JOCHJYFZSA-N 2 2 396.535 3.733 20 0 GHADLP CSc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000501494396 846977260 /nfs/dbraw/zinc/97/72/60/846977260.db2.gz JBBBXFFPLWKSRA-QGZVFWFLSA-N 2 2 399.560 3.530 20 0 GHADLP C[N@H+](CCCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CCCCC1 ZINC000501560564 847021711 /nfs/dbraw/zinc/02/17/11/847021711.db2.gz HKMNBGMCEUQASI-UHFFFAOYSA-N 2 2 387.572 3.526 20 0 GHADLP C[N@@H+](CCCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CCCCC1 ZINC000501560564 847021719 /nfs/dbraw/zinc/02/17/19/847021719.db2.gz HKMNBGMCEUQASI-UHFFFAOYSA-N 2 2 387.572 3.526 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000420407400 847171570 /nfs/dbraw/zinc/17/15/70/847171570.db2.gz VEJFHOWUKVPFMU-PMUMKWKESA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000420407400 847171574 /nfs/dbraw/zinc/17/15/74/847171574.db2.gz VEJFHOWUKVPFMU-PMUMKWKESA-N 2 2 384.351 3.635 20 0 GHADLP O[C@H](C[NH+]1CCC[C@@H](CC(F)(F)F)C1)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420951125 847571720 /nfs/dbraw/zinc/57/17/20/847571720.db2.gz QNIMOXQRZUZVOY-FICVDOATSA-N 2 2 390.412 3.676 20 0 GHADLP O[C@H](C[NH+]1CCC[C@@H](CC(F)(F)F)C1)C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420951125 847571732 /nfs/dbraw/zinc/57/17/32/847571732.db2.gz QNIMOXQRZUZVOY-FICVDOATSA-N 2 2 390.412 3.676 20 0 GHADLP O[C@@H](C[NH+]1CCC[C@H](CC(F)(F)F)C1)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420951125 847571736 /nfs/dbraw/zinc/57/17/36/847571736.db2.gz QNIMOXQRZUZVOY-FICVDOATSA-N 2 2 390.412 3.676 20 0 GHADLP O[C@@H](C[NH+]1CCC[C@H](CC(F)(F)F)C1)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420951125 847571740 /nfs/dbraw/zinc/57/17/40/847571740.db2.gz QNIMOXQRZUZVOY-FICVDOATSA-N 2 2 390.412 3.676 20 0 GHADLP O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420969782 847597789 /nfs/dbraw/zinc/59/77/89/847597789.db2.gz YPQCJWPXTYGEKC-UHFFFAOYSA-N 2 2 396.506 3.753 20 0 GHADLP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000502271061 847674020 /nfs/dbraw/zinc/67/40/20/847674020.db2.gz DXOGZBVRQZMZEZ-LJQANCHMSA-N 2 2 398.547 3.565 20 0 GHADLP c1[nH+]c([C@H]2CCC[N@@H+](CCCOc3ccc4c(c3)OCO4)C2)n2c1CCCC2 ZINC000503412010 847676723 /nfs/dbraw/zinc/67/67/23/847676723.db2.gz LADQMOVENOKGQK-KRWDZBQOSA-N 2 2 383.492 3.597 20 0 GHADLP c1[nH+]c([C@H]2CCC[N@H+](CCCOc3ccc4c(c3)OCO4)C2)n2c1CCCC2 ZINC000503412010 847676732 /nfs/dbraw/zinc/67/67/32/847676732.db2.gz LADQMOVENOKGQK-KRWDZBQOSA-N 2 2 383.492 3.597 20 0 GHADLP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)CC2)CC1 ZINC000152729806 847678988 /nfs/dbraw/zinc/67/89/88/847678988.db2.gz YBVBDZJQPDPYDM-UEKLYDJUSA-N 2 2 387.572 3.519 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000513790543 847745725 /nfs/dbraw/zinc/74/57/25/847745725.db2.gz ZJQHWQFWVVDDSC-RTWAWAEBSA-N 2 2 399.579 3.745 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000513790543 847745729 /nfs/dbraw/zinc/74/57/29/847745729.db2.gz ZJQHWQFWVVDDSC-RTWAWAEBSA-N 2 2 399.579 3.745 20 0 GHADLP COc1ccccc1[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])N1CCCCC1 ZINC000422719516 847795063 /nfs/dbraw/zinc/79/50/63/847795063.db2.gz YJIIQJHXIQCMIO-PTUXOGIPSA-N 2 2 381.564 3.770 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422739214 847803667 /nfs/dbraw/zinc/80/36/67/847803667.db2.gz KTKFQTJFMHAUCJ-KNXBSLHKSA-N 3 2 382.527 3.763 20 0 GHADLP COc1cccc(Oc2ncccc2C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422781411 847820745 /nfs/dbraw/zinc/82/07/45/847820745.db2.gz KLYRSGKCDAFKRU-HTAPYJJXSA-N 2 2 377.488 3.931 20 0 GHADLP COc1cccc(Oc2ncccc2C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422781413 847820785 /nfs/dbraw/zinc/82/07/85/847820785.db2.gz KLYRSGKCDAFKRU-VGOFRKELSA-N 2 2 377.488 3.931 20 0 GHADLP COc1ccc([C@H](NCc2ccccc2Cn2cc[nH+]c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422802403 847829738 /nfs/dbraw/zinc/82/97/38/847829738.db2.gz BHDQESRBPQGZOZ-PKTZIBPZSA-N 2 2 376.504 3.523 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1)[C@H]1CCC[NH2+]1 ZINC000422877781 847865454 /nfs/dbraw/zinc/86/54/54/847865454.db2.gz IKFRIMUPMXTJKT-XMSQKQJNSA-N 2 2 381.520 3.714 20 0 GHADLP Clc1ccc([C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C2CCCC2)cc1 ZINC000684957097 847893969 /nfs/dbraw/zinc/89/39/69/847893969.db2.gz NYXQDEOFBUPNPF-FCHUYYIVSA-N 2 2 391.987 3.567 20 0 GHADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H](C)C[C@H]3COCC[NH2+]3)s2)cc1 ZINC000422978513 847926809 /nfs/dbraw/zinc/92/68/09/847926809.db2.gz HNVQKXGZNPKOFZ-KEYYUXOJSA-N 2 2 375.538 3.545 20 0 GHADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000423056587 847956152 /nfs/dbraw/zinc/95/61/52/847956152.db2.gz YOSVUGPJFJMHDD-YSSFQJQWSA-N 2 2 379.470 3.856 20 0 GHADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423056587 847956163 /nfs/dbraw/zinc/95/61/63/847956163.db2.gz YOSVUGPJFJMHDD-YSSFQJQWSA-N 2 2 379.470 3.856 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3nc4ccccc4n3C)cc2)CC1 ZINC000180022690 861909818 /nfs/dbraw/zinc/90/98/18/861909818.db2.gz TTYOURUSUWJAOI-LJQANCHMSA-N 2 2 391.563 3.562 20 0 GHADLP Brc1ccn2cc(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)nc2c1 ZINC000582933869 848724097 /nfs/dbraw/zinc/72/40/97/848724097.db2.gz QYFZINLJPILRCC-UHFFFAOYSA-N 2 2 396.292 3.631 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000583160939 849221106 /nfs/dbraw/zinc/22/11/06/849221106.db2.gz YBJHLXHPLZMJNT-JOCHJYFZSA-N 2 2 388.515 3.666 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000583160939 849221115 /nfs/dbraw/zinc/22/11/15/849221115.db2.gz YBJHLXHPLZMJNT-JOCHJYFZSA-N 2 2 388.515 3.666 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1nccc2ccccc21 ZINC000583232839 849392187 /nfs/dbraw/zinc/39/21/87/849392187.db2.gz FYCRJOZJBWAZBZ-HARLFGEKSA-N 2 2 375.516 3.768 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1nccc2ccccc21 ZINC000583232839 849392196 /nfs/dbraw/zinc/39/21/96/849392196.db2.gz FYCRJOZJBWAZBZ-HARLFGEKSA-N 2 2 375.516 3.768 20 0 GHADLP CCCOc1c(Cl)cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1OCC ZINC000657750246 849599203 /nfs/dbraw/zinc/59/92/03/849599203.db2.gz FGCSTBHRIZBADK-SFHVURJKSA-N 2 2 396.959 3.870 20 0 GHADLP CCN1CCO[C@@H](C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000423100790 849743704 /nfs/dbraw/zinc/74/37/04/849743704.db2.gz HMTGSTUIGCIHIM-ZJZGAYNASA-N 2 2 379.548 3.531 20 0 GHADLP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425213381 849812500 /nfs/dbraw/zinc/81/25/00/849812500.db2.gz YCOCKMYHBIPOKL-NRFANRHFSA-N 2 2 394.494 3.661 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000423325431 849865857 /nfs/dbraw/zinc/86/58/57/849865857.db2.gz IQDULGAQIOWZJN-RZFNWQHOSA-N 2 2 395.547 3.764 20 0 GHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423514316 849962751 /nfs/dbraw/zinc/96/27/51/849962751.db2.gz WGHSFYGWDZYKDP-JTSKRJEESA-N 2 2 378.520 3.912 20 0 GHADLP COc1ccccc1[C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)[NH+]1CCCCC1 ZINC000518792678 850136253 /nfs/dbraw/zinc/13/62/53/850136253.db2.gz PIPVXKZNQNFPNP-FQEVSTJZSA-N 2 2 392.503 3.608 20 0 GHADLP Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+]C1CC[NH2+]CC1 ZINC000414782507 850365127 /nfs/dbraw/zinc/36/51/27/850365127.db2.gz DWMMAMHBLGDCML-UHFFFAOYSA-N 2 2 380.467 3.954 20 0 GHADLP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000487227736 850582241 /nfs/dbraw/zinc/58/22/41/850582241.db2.gz TYLCLXBBGPJJEE-NRFANRHFSA-N 2 2 397.494 3.564 20 0 GHADLP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000487227736 850582244 /nfs/dbraw/zinc/58/22/44/850582244.db2.gz TYLCLXBBGPJJEE-NRFANRHFSA-N 2 2 397.494 3.564 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000522598133 862151614 /nfs/dbraw/zinc/15/16/14/862151614.db2.gz QOZZCSGRDZOPQG-KRWDZBQOSA-N 2 2 381.524 3.524 20 0 GHADLP O=C(CC[NH2+]CC1([NH+]2CCSCC2)CCCC1)Nc1cccc(Cl)c1 ZINC000555903664 862159462 /nfs/dbraw/zinc/15/94/62/862159462.db2.gz YOWGZPLZXYLFTB-UHFFFAOYSA-N 2 2 381.973 3.620 20 0 GHADLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2c(OC(F)F)ccc3ccccc32)CCO1 ZINC000668785083 850768859 /nfs/dbraw/zinc/76/88/59/850768859.db2.gz LPSBEJOXBBUKRL-KRWDZBQOSA-N 2 2 378.463 3.984 20 0 GHADLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)CCO1 ZINC000668785083 850768865 /nfs/dbraw/zinc/76/88/65/850768865.db2.gz LPSBEJOXBBUKRL-KRWDZBQOSA-N 2 2 378.463 3.984 20 0 GHADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3OC)C2)cc1 ZINC000505485143 851531406 /nfs/dbraw/zinc/53/14/06/851531406.db2.gz YDUIIAZHMGXAGO-JOCHJYFZSA-N 2 2 395.547 3.714 20 0 GHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3OC)C2)cc1 ZINC000505485143 851531415 /nfs/dbraw/zinc/53/14/15/851531415.db2.gz YDUIIAZHMGXAGO-JOCHJYFZSA-N 2 2 395.547 3.714 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cnc(C(F)(F)F)s3)cc2)CC1 ZINC000443956833 862255115 /nfs/dbraw/zinc/25/51/15/862255115.db2.gz AFWYORIPKGNURA-UHFFFAOYSA-N 2 2 398.498 3.589 20 0 GHADLP COCc1ccccc1/C=C(\C)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000510001248 851576582 /nfs/dbraw/zinc/57/65/82/851576582.db2.gz ZXOKDCJZSVYHFF-XSFVSMFZSA-N 2 2 380.532 3.858 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCCc2cccc(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000434741154 851607365 /nfs/dbraw/zinc/60/73/65/851607365.db2.gz BWXOXSBXGPLYRA-NZQKXSOJSA-N 2 2 384.568 3.766 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCCc2cccc(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000434741154 851607374 /nfs/dbraw/zinc/60/73/74/851607374.db2.gz BWXOXSBXGPLYRA-NZQKXSOJSA-N 2 2 384.568 3.766 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCCc2cccc(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000434741154 851607380 /nfs/dbraw/zinc/60/73/80/851607380.db2.gz BWXOXSBXGPLYRA-NZQKXSOJSA-N 2 2 384.568 3.766 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCCc2cccc(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000434741154 851607392 /nfs/dbraw/zinc/60/73/92/851607392.db2.gz BWXOXSBXGPLYRA-NZQKXSOJSA-N 2 2 384.568 3.766 20 0 GHADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604599456 862299377 /nfs/dbraw/zinc/29/93/77/862299377.db2.gz MJLXTPAJCWHSGT-UHFFFAOYSA-N 2 2 391.519 3.666 20 0 GHADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425941983 851943273 /nfs/dbraw/zinc/94/32/73/851943273.db2.gz DEKILKNYGJFXNT-JTSKRJEESA-N 2 2 390.474 3.918 20 0 GHADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425941983 851943288 /nfs/dbraw/zinc/94/32/88/851943288.db2.gz DEKILKNYGJFXNT-JTSKRJEESA-N 2 2 390.474 3.918 20 0 GHADLP C[C@@H](c1ccc(OC(F)F)cc1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425941983 851943299 /nfs/dbraw/zinc/94/32/99/851943299.db2.gz DEKILKNYGJFXNT-JTSKRJEESA-N 2 2 390.474 3.918 20 0 GHADLP C[C@@H](c1ccc(OC(F)F)cc1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425941983 851943313 /nfs/dbraw/zinc/94/33/13/851943313.db2.gz DEKILKNYGJFXNT-JTSKRJEESA-N 2 2 390.474 3.918 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000436472424 851958212 /nfs/dbraw/zinc/95/82/12/851958212.db2.gz XRVJAZFAPBRHOW-PMACEKPBSA-N 2 2 394.563 3.622 20 0 GHADLP C[N@H+](Cc1ccc(Br)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425956788 852112964 /nfs/dbraw/zinc/11/29/64/852112964.db2.gz YKYDLUYYPWSYIA-HXUWFJFHSA-N 2 2 389.337 3.518 20 0 GHADLP C[N@@H+](Cc1ccc(Br)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425956788 852112975 /nfs/dbraw/zinc/11/29/75/852112975.db2.gz YKYDLUYYPWSYIA-HXUWFJFHSA-N 2 2 389.337 3.518 20 0 GHADLP C[NH+](Cc1ccc(Br)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425956788 852112980 /nfs/dbraw/zinc/11/29/80/852112980.db2.gz YKYDLUYYPWSYIA-HXUWFJFHSA-N 2 2 389.337 3.518 20 0 GHADLP C[NH+](Cc1ccc(Br)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425956788 852112988 /nfs/dbraw/zinc/11/29/88/852112988.db2.gz YKYDLUYYPWSYIA-HXUWFJFHSA-N 2 2 389.337 3.518 20 0 GHADLP Cn1cc[nH+]c1C[C@@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000667961713 862335952 /nfs/dbraw/zinc/33/59/52/862335952.db2.gz SEJIRJPLTAJBTC-RTWAWAEBSA-N 2 2 376.504 3.513 20 0 GHADLP C[C@H]1C[C@H](C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000507095367 852539801 /nfs/dbraw/zinc/53/98/01/852539801.db2.gz RKCLLRJMOZJSBB-DMPNSMEDSA-N 2 2 377.617 3.854 20 0 GHADLP C[C@H]1C[C@H](C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000507095367 852539811 /nfs/dbraw/zinc/53/98/11/852539811.db2.gz RKCLLRJMOZJSBB-DMPNSMEDSA-N 2 2 377.617 3.854 20 0 GHADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000425674005 852576615 /nfs/dbraw/zinc/57/66/15/852576615.db2.gz OERAQHBZKFOGDO-IBGZPJMESA-N 2 2 393.535 3.979 20 0 GHADLP C[C@H](NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)C(C)(C)C[NH+](C)C ZINC000425673059 852595148 /nfs/dbraw/zinc/59/51/48/852595148.db2.gz MHGQZVWYZVIFQG-INIZCTEOSA-N 2 2 383.540 3.984 20 0 GHADLP OC(C[NH+]1CC[C@@H](c2cccc(F)c2)C1)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000489845109 852604551 /nfs/dbraw/zinc/60/45/51/852604551.db2.gz MFCMDIYYCZYJPI-WOJBJXKFSA-N 2 2 386.486 3.605 20 0 GHADLP OC(C[NH+]1CC[C@@H](c2cccc(F)c2)C1)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000489845109 852604555 /nfs/dbraw/zinc/60/45/55/852604555.db2.gz MFCMDIYYCZYJPI-WOJBJXKFSA-N 2 2 386.486 3.605 20 0 GHADLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425675123 852611283 /nfs/dbraw/zinc/61/12/83/852611283.db2.gz QAJTYHMHPWZXDK-SFHVURJKSA-N 2 2 381.524 3.834 20 0 GHADLP CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425675123 852611287 /nfs/dbraw/zinc/61/12/87/852611287.db2.gz QAJTYHMHPWZXDK-SFHVURJKSA-N 2 2 381.524 3.834 20 0 GHADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)[C@@H](C)C2 ZINC000490158238 852797226 /nfs/dbraw/zinc/79/72/26/852797226.db2.gz QUBPWKJPZKQWCP-YADARESESA-N 2 2 380.532 3.729 20 0 GHADLP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491055056 853428740 /nfs/dbraw/zinc/42/87/40/853428740.db2.gz DYMKWNMJPDRCEV-YADHBBJMSA-N 2 2 385.596 3.630 20 0 GHADLP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491055056 853428747 /nfs/dbraw/zinc/42/87/47/853428747.db2.gz DYMKWNMJPDRCEV-YADHBBJMSA-N 2 2 385.596 3.630 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491058973 853431292 /nfs/dbraw/zinc/43/12/92/853431292.db2.gz QDIRNIIGRGAJHL-FPOVZHCZSA-N 2 2 389.559 3.761 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491058973 853431297 /nfs/dbraw/zinc/43/12/97/853431297.db2.gz QDIRNIIGRGAJHL-FPOVZHCZSA-N 2 2 389.559 3.761 20 0 GHADLP CSc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000440624448 853466290 /nfs/dbraw/zinc/46/62/90/853466290.db2.gz JBBBXFFPLWKSRA-KRWDZBQOSA-N 2 2 399.560 3.530 20 0 GHADLP COC(=O)CC1(C[NH+]2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000440774250 853604653 /nfs/dbraw/zinc/60/46/53/853604653.db2.gz XBVRRTMGADUFBF-UHFFFAOYSA-N 2 2 398.469 3.945 20 0 GHADLP COC(=O)CC1(C[NH+]2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000440774250 853604660 /nfs/dbraw/zinc/60/46/60/853604660.db2.gz XBVRRTMGADUFBF-UHFFFAOYSA-N 2 2 398.469 3.945 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c(C)c1 ZINC000440866008 853711953 /nfs/dbraw/zinc/71/19/53/853711953.db2.gz YVEAPGJLTYNSOY-NHCUHLMSSA-N 2 2 399.583 3.907 20 0 GHADLP Brc1csc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000520206856 853956454 /nfs/dbraw/zinc/95/64/54/853956454.db2.gz UZRRLMSYGHWJPJ-UHFFFAOYSA-N 2 2 394.382 3.813 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000604827649 862533565 /nfs/dbraw/zinc/53/35/65/862533565.db2.gz WEEZZVJCYIDNCY-IEBWSBKVSA-N 2 2 381.524 3.524 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)c(C)c1 ZINC000441370985 854155194 /nfs/dbraw/zinc/15/51/94/854155194.db2.gz JNUBZUQZLFZTMT-GWWHBBDRSA-N 2 2 382.552 3.914 20 0 GHADLP Cc1nc(NC(=O)[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)sc1C ZINC000441387192 854169635 /nfs/dbraw/zinc/16/96/35/854169635.db2.gz QVXVBADBRFLHQE-APWZRJJASA-N 2 2 397.548 3.931 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2)C1 ZINC000588275977 854266720 /nfs/dbraw/zinc/26/67/20/854266720.db2.gz BCPLCSKHMZNHDT-GOSISDBHSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2)C1 ZINC000588275977 854266729 /nfs/dbraw/zinc/26/67/29/854266729.db2.gz BCPLCSKHMZNHDT-GOSISDBHSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cn2ccccc2n1 ZINC000572016623 854335114 /nfs/dbraw/zinc/33/51/14/854335114.db2.gz ZVLMCLDFFKAKHB-QRVBRYPASA-N 2 2 378.520 3.794 20 0 GHADLP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624015402 862584511 /nfs/dbraw/zinc/58/45/11/862584511.db2.gz WPLQMDPFNVJYQU-IUODEOHRSA-N 2 2 391.865 3.528 20 0 GHADLP COc1ccc([C@@H]2C[C@H]([NH2+]CC3CCN(c4cccc[nH+]4)CC3)CCO2)cc1 ZINC001168603717 854680916 /nfs/dbraw/zinc/68/09/16/854680916.db2.gz XOGGMEYYZBZHLB-IRLDBZIGSA-N 2 2 381.520 3.817 20 0 GHADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482013003 862608229 /nfs/dbraw/zinc/60/82/29/862608229.db2.gz FCNZYTNQICCKKY-LEWJYISDSA-N 2 2 399.604 3.873 20 0 GHADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482013003 862608232 /nfs/dbraw/zinc/60/82/32/862608232.db2.gz FCNZYTNQICCKKY-LEWJYISDSA-N 2 2 399.604 3.873 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2ccccc2c1OC(F)F ZINC000765792155 854825243 /nfs/dbraw/zinc/82/52/43/854825243.db2.gz ODZIGBGUWIGCDB-UAGQMJEPSA-N 2 2 376.447 3.955 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc2ccccc2c1OC(F)F ZINC000765792155 854825246 /nfs/dbraw/zinc/82/52/46/854825246.db2.gz ODZIGBGUWIGCDB-UAGQMJEPSA-N 2 2 376.447 3.955 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(F)c(Cl)cc1Cl ZINC000482023538 862619416 /nfs/dbraw/zinc/61/94/16/862619416.db2.gz BDHPCRZHJRADJP-YVEFUNNKSA-N 2 2 390.330 3.726 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(F)c(Cl)cc1Cl ZINC000482023538 862619424 /nfs/dbraw/zinc/61/94/24/862619424.db2.gz BDHPCRZHJRADJP-YVEFUNNKSA-N 2 2 390.330 3.726 20 0 GHADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189088640 855004497 /nfs/dbraw/zinc/00/44/97/855004497.db2.gz BYXKSSUTXRGBBL-UHFFFAOYSA-N 2 2 398.860 3.795 20 0 GHADLP Cc1cc(C)c(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c[nH+]1 ZINC000459072972 855383866 /nfs/dbraw/zinc/38/38/66/855383866.db2.gz IXIDTSUKXQPFFT-SIKLNZKXSA-N 2 2 380.536 3.893 20 0 GHADLP Cc1cc(C)c(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c[nH+]1 ZINC000459072972 855383870 /nfs/dbraw/zinc/38/38/70/855383870.db2.gz IXIDTSUKXQPFFT-SIKLNZKXSA-N 2 2 380.536 3.893 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000190570754 855458202 /nfs/dbraw/zinc/45/82/02/855458202.db2.gz WKITXKNQFVXNRX-TZIWHRDSSA-N 2 2 397.567 3.530 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000190570754 855458204 /nfs/dbraw/zinc/45/82/04/855458204.db2.gz WKITXKNQFVXNRX-TZIWHRDSSA-N 2 2 397.567 3.530 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000590851687 855615263 /nfs/dbraw/zinc/61/52/63/855615263.db2.gz CDBCQBZNLPMIQP-KNQAVFIVSA-N 2 2 395.551 3.662 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000590851687 855615273 /nfs/dbraw/zinc/61/52/73/855615273.db2.gz CDBCQBZNLPMIQP-KNQAVFIVSA-N 2 2 395.551 3.662 20 0 GHADLP Cc1ccccc1[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000674329697 856173368 /nfs/dbraw/zinc/17/33/68/856173368.db2.gz KPQVIMGCANUNMB-NQIIRXRSSA-N 2 2 386.584 3.550 20 0 GHADLP Cc1ccccc1[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000674329697 856173373 /nfs/dbraw/zinc/17/33/73/856173373.db2.gz KPQVIMGCANUNMB-NQIIRXRSSA-N 2 2 386.584 3.550 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)c(C)c1 ZINC000905182094 856188630 /nfs/dbraw/zinc/18/86/30/856188630.db2.gz WMKGOOZJYUQGPN-NHTMILBNSA-N 2 2 393.531 3.706 20 0 GHADLP COc1nsc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1Br ZINC000895115186 856206805 /nfs/dbraw/zinc/20/68/05/856206805.db2.gz MGOOFIVMZPKSLK-HAQNSBGRSA-N 2 2 397.342 3.586 20 0 GHADLP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Nc1cc(F)ccc1F ZINC000536492653 856234420 /nfs/dbraw/zinc/23/44/20/856234420.db2.gz TVCOSOBVPJXUBK-UHFFFAOYSA-N 2 2 399.485 3.891 20 0 GHADLP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1cc(F)ccc1F ZINC000536492653 856234428 /nfs/dbraw/zinc/23/44/28/856234428.db2.gz TVCOSOBVPJXUBK-UHFFFAOYSA-N 2 2 399.485 3.891 20 0 GHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 ZINC000573476290 856248921 /nfs/dbraw/zinc/24/89/21/856248921.db2.gz SBVFKOQDCHDXPO-KZNAEPCWSA-N 2 2 376.287 3.833 20 0 GHADLP c1ccc2c(c1)CC1(CCOCC1)[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000485303163 856334819 /nfs/dbraw/zinc/33/48/19/856334819.db2.gz FYAQKRMARATSJY-DEOSSOPVSA-N 2 2 392.543 3.703 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000429234508 856455806 /nfs/dbraw/zinc/45/58/06/856455806.db2.gz OSVMCERLILFBGL-HXUWFJFHSA-N 2 2 386.515 3.801 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000429234508 856455807 /nfs/dbraw/zinc/45/58/07/856455807.db2.gz OSVMCERLILFBGL-HXUWFJFHSA-N 2 2 386.515 3.801 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)CCC2 ZINC000507913332 856660596 /nfs/dbraw/zinc/66/05/96/856660596.db2.gz SDGAWWNLNWMGFS-OAQYLSRUSA-N 2 2 384.568 3.655 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)CCC2 ZINC000507913332 856660603 /nfs/dbraw/zinc/66/06/03/856660603.db2.gz SDGAWWNLNWMGFS-OAQYLSRUSA-N 2 2 384.568 3.655 20 0 GHADLP CCOc1ccc([C@@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168010568 856741518 /nfs/dbraw/zinc/74/15/18/856741518.db2.gz KEKIGPQKVLNKAG-GMQQQROESA-N 2 2 383.536 3.545 20 0 GHADLP CCOc1ccc([C@@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168010568 856741525 /nfs/dbraw/zinc/74/15/25/856741525.db2.gz KEKIGPQKVLNKAG-GMQQQROESA-N 2 2 383.536 3.545 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(OCc2ccccn2)c1 ZINC000655696112 862890487 /nfs/dbraw/zinc/89/04/87/862890487.db2.gz AODQLIXETZFUOJ-PGRDOPGGSA-N 2 2 381.520 3.565 20 0 GHADLP COc1cc(Br)c(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000520950638 857427610 /nfs/dbraw/zinc/42/76/10/857427610.db2.gz ANRVXHDCDKLYIA-GJZGRUSLSA-N 2 2 399.373 3.924 20 0 GHADLP CC(C)(C)C[C@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000593292533 857454999 /nfs/dbraw/zinc/45/49/99/857454999.db2.gz FEYPRIDPXOXOHF-PMACEKPBSA-N 2 2 386.515 3.953 20 0 GHADLP CC(C)(C)C[C@H](NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000593292533 857455007 /nfs/dbraw/zinc/45/50/07/857455007.db2.gz FEYPRIDPXOXOHF-PMACEKPBSA-N 2 2 386.515 3.953 20 0 GHADLP CC(C)(C)C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000593292535 857455353 /nfs/dbraw/zinc/45/53/53/857455353.db2.gz FEYPRIDPXOXOHF-UXHICEINSA-N 2 2 386.515 3.953 20 0 GHADLP CC(C)(C)C[C@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000593292535 857455357 /nfs/dbraw/zinc/45/53/57/857455357.db2.gz FEYPRIDPXOXOHF-UXHICEINSA-N 2 2 386.515 3.953 20 0 GHADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000593293362 857456796 /nfs/dbraw/zinc/45/67/96/857456796.db2.gz UIDDFDAEHIDERP-FYYLOGMGSA-N 2 2 380.536 3.958 20 0 GHADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000593293362 857456801 /nfs/dbraw/zinc/45/68/01/857456801.db2.gz UIDDFDAEHIDERP-FYYLOGMGSA-N 2 2 380.536 3.958 20 0 GHADLP CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)[NH+](C)C)cc1 ZINC000672668074 857573345 /nfs/dbraw/zinc/57/33/45/857573345.db2.gz BFUNLPDRRQWGNM-LJQANCHMSA-N 2 2 381.480 3.546 20 0 GHADLP CC1(C)CC(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC(C)(C)[NH2+]1 ZINC000130970495 857619690 /nfs/dbraw/zinc/61/96/90/857619690.db2.gz YVOKFECEDSLTNY-VQTJNVASSA-N 2 2 395.551 3.720 20 0 GHADLP COc1cc2c(cc1C[NH2+]Cc1ccc(-n3cc[nH+]c3C)c(F)c1)O[C@H](C)C2 ZINC000063549020 857627083 /nfs/dbraw/zinc/62/70/83/857627083.db2.gz IMJBWEUJAULLBM-CQSZACIVSA-N 2 2 381.451 3.942 20 0 GHADLP C[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1)c1cccc(-n2cnnn2)c1 ZINC000675894794 857651983 /nfs/dbraw/zinc/65/19/83/857651983.db2.gz OTTIUGIJMYJCOD-RTBURBONSA-N 2 2 390.535 3.977 20 0 GHADLP COC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(C(F)(F)F)c1 ZINC000675883297 857659276 /nfs/dbraw/zinc/65/92/76/857659276.db2.gz ZJLZIEANUIZNAE-OALUTQOASA-N 2 2 386.458 3.626 20 0 GHADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000675921657 857666172 /nfs/dbraw/zinc/66/61/72/857666172.db2.gz MQERUKZGCRMRMR-WMZHIEFXSA-N 3 2 392.547 3.995 20 0 GHADLP CC(C)CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CCCC1 ZINC000521191760 857715060 /nfs/dbraw/zinc/71/50/60/857715060.db2.gz AOILVAFYGCBYFE-UHFFFAOYSA-N 2 2 387.568 3.748 20 0 GHADLP CC(C)CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CCCC1 ZINC000521191760 857715065 /nfs/dbraw/zinc/71/50/65/857715065.db2.gz AOILVAFYGCBYFE-UHFFFAOYSA-N 2 2 387.568 3.748 20 0 GHADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181660233 862959641 /nfs/dbraw/zinc/95/96/41/862959641.db2.gz YNDQIRLHRFJMFP-PKOBYXMFSA-N 2 2 383.517 3.775 20 0 GHADLP CN(C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000442761085 858099737 /nfs/dbraw/zinc/09/97/37/858099737.db2.gz OZNJCMRFCHAAQW-OTTNMNEJSA-N 2 2 395.522 3.588 20 0 GHADLP CN(C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000442761085 858099744 /nfs/dbraw/zinc/09/97/44/858099744.db2.gz OZNJCMRFCHAAQW-OTTNMNEJSA-N 2 2 395.522 3.588 20 0 GHADLP CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060912 858133666 /nfs/dbraw/zinc/13/36/66/858133666.db2.gz CBXURDGPMQPXBK-NRFANRHFSA-N 2 2 385.552 3.939 20 0 GHADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543061233 858140653 /nfs/dbraw/zinc/14/06/53/858140653.db2.gz RAUIPLVMQMOXAM-PMACEKPBSA-N 2 2 382.552 3.950 20 0 GHADLP COCCC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cc1 ZINC000442872540 858189518 /nfs/dbraw/zinc/18/95/18/858189518.db2.gz ZAKKXAXCJSKFCY-RTWAWAEBSA-N 2 2 386.515 3.941 20 0 GHADLP CCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](CC)c1ccccc1 ZINC000521819271 858353682 /nfs/dbraw/zinc/35/36/82/858353682.db2.gz XVKQFRAKSAGUIE-JOCHJYFZSA-N 2 2 394.563 3.984 20 0 GHADLP CCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](CC)c1ccccc1 ZINC000521819271 858353687 /nfs/dbraw/zinc/35/36/87/858353687.db2.gz XVKQFRAKSAGUIE-JOCHJYFZSA-N 2 2 394.563 3.984 20 0 GHADLP CSC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000595102162 858405507 /nfs/dbraw/zinc/40/55/07/858405507.db2.gz KTYUJWMEUKVOFM-ZWKOTPCHSA-N 2 2 388.499 3.952 20 0 GHADLP CCc1cccc(CC)c1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466139899 858445338 /nfs/dbraw/zinc/44/53/38/858445338.db2.gz LLVDRBAYQPXKMZ-UHFFFAOYSA-N 2 2 386.584 3.883 20 0 GHADLP Cc1cccc(COc2ccc([C@H](C)[NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)cc2)c1 ZINC000482643638 858718267 /nfs/dbraw/zinc/71/82/67/858718267.db2.gz PZJZXZMPEYKECB-CVDCTZTESA-N 2 2 395.547 3.564 20 0 GHADLP Cc1cccc(COc2ccc([C@H](C)[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)cc2)c1 ZINC000482643638 858718272 /nfs/dbraw/zinc/71/82/72/858718272.db2.gz PZJZXZMPEYKECB-CVDCTZTESA-N 2 2 395.547 3.564 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000482653415 858735855 /nfs/dbraw/zinc/73/58/55/858735855.db2.gz XYKSBIYSWZPPCR-FHWLQOOXSA-N 2 2 397.485 3.661 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000482653415 858735859 /nfs/dbraw/zinc/73/58/59/858735859.db2.gz XYKSBIYSWZPPCR-FHWLQOOXSA-N 2 2 397.485 3.661 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000922968772 858906818 /nfs/dbraw/zinc/90/68/18/858906818.db2.gz PYGGJPWURAKYJQ-GOEBONIOSA-N 2 2 393.494 3.686 20 0 GHADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000185599021 859101076 /nfs/dbraw/zinc/10/10/76/859101076.db2.gz YFOBONXRXITWHR-ZWKOTPCHSA-N 2 2 383.517 3.694 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)co2)cc1 ZINC000185673636 859116178 /nfs/dbraw/zinc/11/61/78/859116178.db2.gz GSQOFQJEPRFHGF-APWZRJJASA-N 2 2 397.519 3.871 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)co2)cc1 ZINC000185673636 859116181 /nfs/dbraw/zinc/11/61/81/859116181.db2.gz GSQOFQJEPRFHGF-APWZRJJASA-N 2 2 397.519 3.871 20 0 GHADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000483193882 859205140 /nfs/dbraw/zinc/20/51/40/859205140.db2.gz JCAHJVVZONJOGE-UHFFFAOYSA-N 2 2 384.867 3.721 20 0 GHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000113602923 859243822 /nfs/dbraw/zinc/24/38/22/859243822.db2.gz BHDFRQRUXKCMMO-GOSISDBHSA-N 2 2 391.519 3.801 20 0 GHADLP CN(C(=O)c1ccccc1Oc1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472966 859283115 /nfs/dbraw/zinc/28/31/15/859283115.db2.gz AXLDYRINZSQZCV-FQEVSTJZSA-N 2 2 393.531 3.719 20 0 GHADLP CN(C(=O)c1ccccc1Oc1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472966 859283124 /nfs/dbraw/zinc/28/31/24/859283124.db2.gz AXLDYRINZSQZCV-FQEVSTJZSA-N 2 2 393.531 3.719 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120346444 881411960 /nfs/dbraw/zinc/41/19/60/881411960.db2.gz AZDMICVHXUNKKG-AWEZNQCLSA-N 2 2 399.292 3.924 20 0 GHADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000069162854 859373198 /nfs/dbraw/zinc/37/31/98/859373198.db2.gz GIDUYHPEBSOSPJ-QFIPXVFZSA-N 2 2 383.511 3.777 20 0 GHADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000626063294 859437297 /nfs/dbraw/zinc/43/72/97/859437297.db2.gz YQONPUNZFAVYCZ-QGZVFWFLSA-N 2 2 381.520 3.800 20 0 GHADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000626063294 859437301 /nfs/dbraw/zinc/43/73/01/859437301.db2.gz YQONPUNZFAVYCZ-QGZVFWFLSA-N 2 2 381.520 3.800 20 0 GHADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000113997862 859439934 /nfs/dbraw/zinc/43/99/34/859439934.db2.gz RNDOLEYAXKMHBD-HKBOAZHASA-N 2 2 383.580 3.546 20 0 GHADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000113997862 859439944 /nfs/dbraw/zinc/43/99/44/859439944.db2.gz RNDOLEYAXKMHBD-HKBOAZHASA-N 2 2 383.580 3.546 20 0 GHADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000113997862 859439950 /nfs/dbraw/zinc/43/99/50/859439950.db2.gz RNDOLEYAXKMHBD-HKBOAZHASA-N 2 2 383.580 3.546 20 0 GHADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000113997862 859439958 /nfs/dbraw/zinc/43/99/58/859439958.db2.gz RNDOLEYAXKMHBD-HKBOAZHASA-N 2 2 383.580 3.546 20 0 GHADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000626087773 859530304 /nfs/dbraw/zinc/53/03/04/859530304.db2.gz ATUJJTORSIFGRY-UHFFFAOYSA-N 2 2 386.458 3.705 20 0 GHADLP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483734984 859574283 /nfs/dbraw/zinc/57/42/83/859574283.db2.gz YJXPTRCWZXLTHL-NHCUHLMSSA-N 2 2 389.547 3.734 20 0 GHADLP CC(C)(C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc2ccccc2c1 ZINC000624267237 859642786 /nfs/dbraw/zinc/64/27/86/859642786.db2.gz HCTHMQDSQCNEMT-UHFFFAOYSA-N 2 2 395.591 3.504 20 0 GHADLP CC(C)(C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccc2ccccc2c1 ZINC000624267237 859642793 /nfs/dbraw/zinc/64/27/93/859642793.db2.gz HCTHMQDSQCNEMT-UHFFFAOYSA-N 2 2 395.591 3.504 20 0 GHADLP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001168724714 859723849 /nfs/dbraw/zinc/72/38/49/859723849.db2.gz ZWHCXGNEMBVSET-JOCHJYFZSA-N 2 2 394.563 3.806 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1OC(F)F ZINC000484130707 859840874 /nfs/dbraw/zinc/84/08/74/859840874.db2.gz MMEHKMYOYKBBOU-YCRPNKLZSA-N 2 2 394.437 3.715 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1OC(F)F ZINC000484130707 859840884 /nfs/dbraw/zinc/84/08/84/859840884.db2.gz MMEHKMYOYKBBOU-YCRPNKLZSA-N 2 2 394.437 3.715 20 0 GHADLP COc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)ccc1OC(=O)C1CC1 ZINC000895710629 859846269 /nfs/dbraw/zinc/84/62/69/859846269.db2.gz JSVNKFMNOYJLDI-HXUWFJFHSA-N 2 2 391.471 3.738 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC000484175903 859848986 /nfs/dbraw/zinc/84/89/86/859848986.db2.gz SDJWHSFWAACEMJ-KDOFPFPSSA-N 2 2 395.366 3.798 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC000484175903 859848997 /nfs/dbraw/zinc/84/89/97/859848997.db2.gz SDJWHSFWAACEMJ-KDOFPFPSSA-N 2 2 395.366 3.798 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(-c4ccccc4)ccc3Cl)C2)CC1 ZINC000602206519 859851143 /nfs/dbraw/zinc/85/11/43/859851143.db2.gz ZBVJYHKFBKJSEN-LJQANCHMSA-N 2 2 397.950 3.905 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(-c4ccccc4)ccc3Cl)C2)CC1 ZINC000602206519 859851150 /nfs/dbraw/zinc/85/11/50/859851150.db2.gz ZBVJYHKFBKJSEN-LJQANCHMSA-N 2 2 397.950 3.905 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000484166017 859858202 /nfs/dbraw/zinc/85/82/02/859858202.db2.gz QFSUQXMNZCAJAP-KKSFZXQISA-N 2 2 376.447 3.576 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000484166017 859858214 /nfs/dbraw/zinc/85/82/14/859858214.db2.gz QFSUQXMNZCAJAP-KKSFZXQISA-N 2 2 376.447 3.576 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765253967 859867712 /nfs/dbraw/zinc/86/77/12/859867712.db2.gz WDNWJJDDLGMKIG-KDOFPFPSSA-N 2 2 392.931 3.967 20 0 GHADLP O[C@@]1(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484182678 859869552 /nfs/dbraw/zinc/86/95/52/859869552.db2.gz XXRZJORUUNXHMZ-FYYLOGMGSA-N 2 2 378.516 3.660 20 0 GHADLP O[C@@]1(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484182678 859869558 /nfs/dbraw/zinc/86/95/58/859869558.db2.gz XXRZJORUUNXHMZ-FYYLOGMGSA-N 2 2 378.516 3.660 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000765359359 859927784 /nfs/dbraw/zinc/92/77/84/859927784.db2.gz HFAJKKCZIBSYNG-YSGRDPCXSA-N 2 2 393.453 3.634 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000765359359 859927789 /nfs/dbraw/zinc/92/77/89/859927789.db2.gz HFAJKKCZIBSYNG-YSGRDPCXSA-N 2 2 393.453 3.634 20 0 GHADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000474421004 860031455 /nfs/dbraw/zinc/03/14/55/860031455.db2.gz JCWYLDGZYBJWJI-QGZVFWFLSA-N 2 2 384.351 3.951 20 0 GHADLP Cc1ccncc1C[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000474467086 860166859 /nfs/dbraw/zinc/16/68/59/860166859.db2.gz JLLDQENKLRWODF-UHFFFAOYSA-N 2 2 392.469 3.711 20 0 GHADLP Clc1ccc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c(-n2cncn2)c1 ZINC000474482496 860196579 /nfs/dbraw/zinc/19/65/79/860196579.db2.gz LJDOTRUDFCMHRD-OAQYLSRUSA-N 2 2 381.911 3.847 20 0 GHADLP Cc1oc(-c2ccccc2)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000624930684 860304412 /nfs/dbraw/zinc/30/44/12/860304412.db2.gz BBDFTUZKGJZGLW-UHFFFAOYSA-N 2 2 381.520 3.543 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000766189854 860454121 /nfs/dbraw/zinc/45/41/21/860454121.db2.gz HXSAUXUEFQYWQS-MJGOQNOKSA-N 2 2 388.556 3.724 20 0 GHADLP CC(C)C[C@@H](C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000474614495 860502907 /nfs/dbraw/zinc/50/29/07/860502907.db2.gz WGXBXIVLNUDHNK-QFIPXVFZSA-N 2 2 394.563 3.540 20 0 GHADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168557237 860618165 /nfs/dbraw/zinc/61/81/65/860618165.db2.gz DUPNAKOWEQOPTO-HOTGVXAUSA-N 2 2 393.494 3.733 20 0 GHADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168557237 860618169 /nfs/dbraw/zinc/61/81/69/860618169.db2.gz DUPNAKOWEQOPTO-HOTGVXAUSA-N 2 2 393.494 3.733 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247790069 860757569 /nfs/dbraw/zinc/75/75/69/860757569.db2.gz YZSYVUIAFYSIGS-JKIFEVAISA-N 2 2 396.413 3.692 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247790069 860757572 /nfs/dbraw/zinc/75/75/72/860757572.db2.gz YZSYVUIAFYSIGS-JKIFEVAISA-N 2 2 396.413 3.692 20 0 GHADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1csc2ccccc21 ZINC000730068200 860859142 /nfs/dbraw/zinc/85/91/42/860859142.db2.gz LJGGEATWRSPKPT-INIZCTEOSA-N 2 2 388.581 3.630 20 0 GHADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1csc2ccccc21 ZINC000730068200 860859148 /nfs/dbraw/zinc/85/91/48/860859148.db2.gz LJGGEATWRSPKPT-INIZCTEOSA-N 2 2 388.581 3.630 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)CCCC1)c1ccccc1 ZINC000603611239 860903971 /nfs/dbraw/zinc/90/39/71/860903971.db2.gz ZBMPSEUGCHWSKA-IBGZPJMESA-N 2 2 395.551 3.893 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000555511223 861110843 /nfs/dbraw/zinc/11/08/43/861110843.db2.gz LSLMPXYBUMQAST-MRXNPFEDSA-N 2 2 380.458 3.933 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000600158885 861132209 /nfs/dbraw/zinc/13/22/09/861132209.db2.gz NJFMBHQZKFXCIF-QGZVFWFLSA-N 2 2 384.524 3.721 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000600158885 861132217 /nfs/dbraw/zinc/13/22/17/861132217.db2.gz NJFMBHQZKFXCIF-QGZVFWFLSA-N 2 2 384.524 3.721 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cc1OCCCO ZINC000623529469 861162398 /nfs/dbraw/zinc/16/23/98/861162398.db2.gz JULLFKZPQMQRQN-GDBMZVCRSA-N 2 2 399.373 3.734 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cc1OCCCO ZINC000623529469 861162403 /nfs/dbraw/zinc/16/24/03/861162403.db2.gz JULLFKZPQMQRQN-GDBMZVCRSA-N 2 2 399.373 3.734 20 0 GHADLP c1cc(C[NH2+]Cc2ccc(C3CCC3)cc2)cc(OCC[NH+]2CCOCC2)c1 ZINC000555529319 861177332 /nfs/dbraw/zinc/17/73/32/861177332.db2.gz ASTCHGLNKSHMRN-UHFFFAOYSA-N 2 2 380.532 3.955 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000282633456 863265370 /nfs/dbraw/zinc/26/53/70/863265370.db2.gz DNWIDGUSOHKWGI-HXUWFJFHSA-N 2 2 395.551 3.599 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000282633456 863265385 /nfs/dbraw/zinc/26/53/85/863265385.db2.gz DNWIDGUSOHKWGI-HXUWFJFHSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000482626775 863399509 /nfs/dbraw/zinc/39/95/09/863399509.db2.gz FNGQDFZNBLCXHV-YOEHRIQHSA-N 2 2 375.513 3.545 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000482626775 863399521 /nfs/dbraw/zinc/39/95/21/863399521.db2.gz FNGQDFZNBLCXHV-YOEHRIQHSA-N 2 2 375.513 3.545 20 0 GHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444201523 863659359 /nfs/dbraw/zinc/65/93/59/863659359.db2.gz YUJHLPUXRRAPOI-IAGOWNOFSA-N 2 2 395.950 3.634 20 0 GHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444201523 863659368 /nfs/dbraw/zinc/65/93/68/863659368.db2.gz YUJHLPUXRRAPOI-IAGOWNOFSA-N 2 2 395.950 3.634 20 0 GHADLP Cc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000158617023 863890529 /nfs/dbraw/zinc/89/05/29/863890529.db2.gz CWYQMHDLWZGBOS-PMACEKPBSA-N 2 2 392.613 3.535 20 0 GHADLP Cc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000158617023 863890536 /nfs/dbraw/zinc/89/05/36/863890536.db2.gz CWYQMHDLWZGBOS-PMACEKPBSA-N 2 2 392.613 3.535 20 0 GHADLP COc1cc(Br)ccc1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000494444583 881732923 /nfs/dbraw/zinc/73/29/23/881732923.db2.gz MUFZOCJCHZWVPR-UHFFFAOYSA-N 2 2 378.295 3.995 20 0 GHADLP CCCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000469872670 864269003 /nfs/dbraw/zinc/26/90/03/864269003.db2.gz PHRCPFORHXKEAA-ZMSDIMECSA-N 2 2 397.357 3.806 20 0 GHADLP CCCOc1c(Br)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000469872670 864269014 /nfs/dbraw/zinc/26/90/14/864269014.db2.gz PHRCPFORHXKEAA-ZMSDIMECSA-N 2 2 397.357 3.806 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429538940 881755227 /nfs/dbraw/zinc/75/52/27/881755227.db2.gz JXWDHGXIBOVLEM-SQWLQELKSA-N 2 2 386.367 3.975 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429538940 881755236 /nfs/dbraw/zinc/75/52/36/881755236.db2.gz JXWDHGXIBOVLEM-SQWLQELKSA-N 2 2 386.367 3.975 20 0 GHADLP O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000792872786 881762278 /nfs/dbraw/zinc/76/22/78/881762278.db2.gz PIPWHCBIUYZRIR-ISJGIBHGSA-N 2 2 394.559 3.866 20 0 GHADLP O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000792872786 881762289 /nfs/dbraw/zinc/76/22/89/881762289.db2.gz PIPWHCBIUYZRIR-ISJGIBHGSA-N 2 2 394.559 3.866 20 0 GHADLP O[C@H](c1ccccc1)[C@H]1CCCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000792872786 881762297 /nfs/dbraw/zinc/76/22/97/881762297.db2.gz PIPWHCBIUYZRIR-ISJGIBHGSA-N 2 2 394.559 3.866 20 0 GHADLP O[C@H](c1ccccc1)[C@H]1CCCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000792872786 881762309 /nfs/dbraw/zinc/76/23/09/881762309.db2.gz PIPWHCBIUYZRIR-ISJGIBHGSA-N 2 2 394.559 3.866 20 0 GHADLP c1nc(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n(-c2ccccc2)n1 ZINC000475268930 864687491 /nfs/dbraw/zinc/68/74/91/864687491.db2.gz LNNAWUKBJMVGLF-PMVMPFDFSA-N 2 2 387.531 3.658 20 0 GHADLP c1nc(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n(-c2ccccc2)n1 ZINC000475268930 864687505 /nfs/dbraw/zinc/68/75/05/864687505.db2.gz LNNAWUKBJMVGLF-PMVMPFDFSA-N 2 2 387.531 3.658 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3occc3Br)cc2)C[C@@H](C)O1 ZINC000735321191 864723275 /nfs/dbraw/zinc/72/32/75/864723275.db2.gz YOWOHODYZNWSJX-HUUCEWRRSA-N 2 2 393.325 3.941 20 0 GHADLP Cc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1F ZINC000554841894 864999603 /nfs/dbraw/zinc/99/96/03/864999603.db2.gz ONVJWZHYCSOFAM-NRFANRHFSA-N 2 2 383.511 3.963 20 0 GHADLP Cc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1F ZINC000554841894 864999618 /nfs/dbraw/zinc/99/96/18/864999618.db2.gz ONVJWZHYCSOFAM-NRFANRHFSA-N 2 2 383.511 3.963 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cc(F)cc(F)c1 ZINC000554843582 865002567 /nfs/dbraw/zinc/00/25/67/865002567.db2.gz MBOXFWSUIZPOPY-HXUWFJFHSA-N 2 2 387.474 3.794 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cc(F)cc(F)c1 ZINC000554843582 865002576 /nfs/dbraw/zinc/00/25/76/865002576.db2.gz MBOXFWSUIZPOPY-HXUWFJFHSA-N 2 2 387.474 3.794 20 0 GHADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001170423268 881830036 /nfs/dbraw/zinc/83/00/36/881830036.db2.gz CRVMUHOQWXBMFZ-FQEVSTJZSA-N 2 2 396.531 3.999 20 0 GHADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3cccc(Cn4cc[nH+]c4)c3)ccc21 ZINC000455950509 865057786 /nfs/dbraw/zinc/05/77/86/865057786.db2.gz ZPDXJLNNBSRKCX-QFIPXVFZSA-N 2 2 389.503 3.802 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccc(N5CCCC5)nc4)C3)C2)cc1 ZINC000554866514 865059144 /nfs/dbraw/zinc/05/91/44/865059144.db2.gz ADCVVCHSTCQNNT-DEOSSOPVSA-N 2 2 376.548 3.780 20 0 GHADLP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccc(N5CCCC5)nc4)C3)C2)cc1 ZINC000554866514 865059153 /nfs/dbraw/zinc/05/91/53/865059153.db2.gz ADCVVCHSTCQNNT-DEOSSOPVSA-N 2 2 376.548 3.780 20 0 GHADLP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccc(N5CCCC5)nc4)C3)C2)cc1 ZINC000554866514 865059165 /nfs/dbraw/zinc/05/91/65/865059165.db2.gz ADCVVCHSTCQNNT-DEOSSOPVSA-N 2 2 376.548 3.780 20 0 GHADLP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccc(N5CCCC5)nc4)C3)C2)cc1 ZINC000554866514 865059175 /nfs/dbraw/zinc/05/91/75/865059175.db2.gz ADCVVCHSTCQNNT-DEOSSOPVSA-N 2 2 376.548 3.780 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cc(C)ccc3OC)cc2)CC1 ZINC000480706903 865122417 /nfs/dbraw/zinc/12/24/17/865122417.db2.gz QAHJCUVFDGOGOU-FQEVSTJZSA-N 2 2 381.564 3.992 20 0 GHADLP CC[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C)cc1 ZINC000171110947 865149905 /nfs/dbraw/zinc/14/99/05/865149905.db2.gz HPYNOGLBBFRODJ-QFIPXVFZSA-N 2 2 381.520 3.507 20 0 GHADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608313752 865226523 /nfs/dbraw/zinc/22/65/23/865226523.db2.gz LUZPMWSBTQZTNN-LJQANCHMSA-N 2 2 377.492 3.710 20 0 GHADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608313752 865226536 /nfs/dbraw/zinc/22/65/36/865226536.db2.gz LUZPMWSBTQZTNN-LJQANCHMSA-N 2 2 377.492 3.710 20 0 GHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3cccc(C[NH+](C)C)c3)CC2)c1 ZINC000171722908 865344313 /nfs/dbraw/zinc/34/43/13/865344313.db2.gz NRZRQLSLBJDWMW-SFHVURJKSA-N 2 2 396.535 3.668 20 0 GHADLP Cc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000909591399 865421037 /nfs/dbraw/zinc/42/10/37/865421037.db2.gz HQUHCCZQFXFTOY-UHFFFAOYSA-N 2 2 377.492 3.618 20 0 GHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000301869112 865578130 /nfs/dbraw/zinc/57/81/30/865578130.db2.gz GUFKCSZYGHSJLD-OAHLLOKOSA-N 2 2 384.553 3.967 20 0 GHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000301869112 865578139 /nfs/dbraw/zinc/57/81/39/865578139.db2.gz GUFKCSZYGHSJLD-OAHLLOKOSA-N 2 2 384.553 3.967 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)C2)cc1 ZINC000671240231 865714134 /nfs/dbraw/zinc/71/41/34/865714134.db2.gz KSKBYMZMLQSYQO-VWLOTQADSA-N 3 2 399.623 3.866 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)C2)cc1 ZINC000671240231 865714141 /nfs/dbraw/zinc/71/41/41/865714141.db2.gz KSKBYMZMLQSYQO-VWLOTQADSA-N 3 2 399.623 3.866 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000481179516 865936261 /nfs/dbraw/zinc/93/62/61/865936261.db2.gz VNIZCKKTIAEBHM-LEOXJPRUSA-N 2 2 395.522 3.821 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000481179516 865936266 /nfs/dbraw/zinc/93/62/66/865936266.db2.gz VNIZCKKTIAEBHM-LEOXJPRUSA-N 2 2 395.522 3.821 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000481186402 865950310 /nfs/dbraw/zinc/95/03/10/865950310.db2.gz FTPMCOCRCJYXAU-CZAAIQMYSA-N 2 2 399.485 3.570 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000481186402 865950322 /nfs/dbraw/zinc/95/03/22/865950322.db2.gz FTPMCOCRCJYXAU-CZAAIQMYSA-N 2 2 399.485 3.570 20 0 GHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481190049 865972176 /nfs/dbraw/zinc/97/21/76/865972176.db2.gz LEDHABZGJLDXEM-FGSXEWAUSA-N 2 2 381.520 3.522 20 0 GHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481190049 865972186 /nfs/dbraw/zinc/97/21/86/865972186.db2.gz LEDHABZGJLDXEM-FGSXEWAUSA-N 2 2 381.520 3.522 20 0 GHADLP CSc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481197015 865989306 /nfs/dbraw/zinc/98/93/06/865989306.db2.gz ZPDIKBPWBAVNIF-LAUBAEHRSA-N 2 2 383.561 3.847 20 0 GHADLP CSc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481197015 865989316 /nfs/dbraw/zinc/98/93/16/865989316.db2.gz ZPDIKBPWBAVNIF-LAUBAEHRSA-N 2 2 383.561 3.847 20 0 GHADLP O=C(NCCCNc1cccc[nH+]1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000494569451 881928068 /nfs/dbraw/zinc/92/80/68/881928068.db2.gz IHLYPXOPNHWGPH-UHFFFAOYSA-N 2 2 395.551 3.759 20 0 GHADLP Cc1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc(C)c1OC(F)F ZINC000741258525 866359408 /nfs/dbraw/zinc/35/94/08/866359408.db2.gz NFRYTTXATIETGS-JOCHJYFZSA-N 2 2 390.474 3.631 20 0 GHADLP Cc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc(C)c1OC(F)F ZINC000741258525 866359419 /nfs/dbraw/zinc/35/94/19/866359419.db2.gz NFRYTTXATIETGS-JOCHJYFZSA-N 2 2 390.474 3.631 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000456317569 866420404 /nfs/dbraw/zinc/42/04/04/866420404.db2.gz AVWYPYZDGZXHPK-FQEVSTJZSA-N 2 2 388.515 3.775 20 0 GHADLP CC(C)[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000508617107 882001313 /nfs/dbraw/zinc/00/13/13/882001313.db2.gz XITFAAWFZIDQIL-WOIUINJBSA-N 2 2 387.568 3.745 20 0 GHADLP CCC(CC)[C@@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[NH+](C)C ZINC000620418392 866732624 /nfs/dbraw/zinc/73/26/24/866732624.db2.gz OWWUNEDALKQPEN-QGZVFWFLSA-N 2 2 381.590 3.617 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)C2 ZINC000475604444 866756004 /nfs/dbraw/zinc/75/60/04/866756004.db2.gz FYKRNMXAMHKYOO-AEFFLSMTSA-N 2 2 382.552 3.884 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)CC2 ZINC000475604444 866756020 /nfs/dbraw/zinc/75/60/20/866756020.db2.gz FYKRNMXAMHKYOO-AEFFLSMTSA-N 2 2 382.552 3.884 20 0 GHADLP CN(C(=O)[C@@H]1CCCC(C)(C)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534464899 866833314 /nfs/dbraw/zinc/83/33/14/866833314.db2.gz KTCNDDRXUUQUST-HMXCVIKNSA-N 2 2 377.617 3.998 20 0 GHADLP CN(C(=O)[C@@H]1CCCC(C)(C)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534464899 866833328 /nfs/dbraw/zinc/83/33/28/866833328.db2.gz KTCNDDRXUUQUST-HMXCVIKNSA-N 2 2 377.617 3.998 20 0 GHADLP C[NH+]1CCC(CNC(=S)Nc2ccc(Cl)cc2)([NH+]2CCCCC2)CC1 ZINC000741873317 866870576 /nfs/dbraw/zinc/87/05/76/866870576.db2.gz LUYWTPUQKUTVLX-UHFFFAOYSA-N 2 2 380.989 3.577 20 0 GHADLP C[C@]1(CNC2CC[NH+](Cc3cccnc3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000152957147 866885859 /nfs/dbraw/zinc/88/58/59/866885859.db2.gz BMNOEKIUHKFFOH-XMMPIXPASA-N 2 2 378.564 3.690 20 0 GHADLP C[C@]1(CNC2CC[NH+](Cc3cccnc3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000152957147 866885862 /nfs/dbraw/zinc/88/58/62/866885862.db2.gz BMNOEKIUHKFFOH-XMMPIXPASA-N 2 2 378.564 3.690 20 0 GHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000153546675 866941190 /nfs/dbraw/zinc/94/11/90/866941190.db2.gz GLRUUZWONJSQRF-CMKODMSKSA-N 2 2 383.540 3.605 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000793206064 882032660 /nfs/dbraw/zinc/03/26/60/882032660.db2.gz ABNBNBMVRBKZFF-QFIPXVFZSA-N 3 2 392.591 3.833 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000793206064 882032679 /nfs/dbraw/zinc/03/26/79/882032679.db2.gz ABNBNBMVRBKZFF-QFIPXVFZSA-N 3 2 392.591 3.833 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000793206049 882033539 /nfs/dbraw/zinc/03/35/39/882033539.db2.gz ABNBNBMVRBKZFF-JOCHJYFZSA-N 3 2 392.591 3.833 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000793206049 882033558 /nfs/dbraw/zinc/03/35/58/882033558.db2.gz ABNBNBMVRBKZFF-JOCHJYFZSA-N 3 2 392.591 3.833 20 0 GHADLP CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccc(Cl)cc2)c1 ZINC000643458214 882068420 /nfs/dbraw/zinc/06/84/20/882068420.db2.gz FEZZVMMOWMBNNI-AZUAARDMSA-N 2 2 392.952 3.565 20 0 GHADLP [NH3+]C[C@@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc(F)cc1 ZINC000479208409 867356649 /nfs/dbraw/zinc/35/66/49/867356649.db2.gz VUKKEACINKAEAT-HXUWFJFHSA-N 2 2 378.451 3.707 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857193170 882104275 /nfs/dbraw/zinc/10/42/75/882104275.db2.gz RTRAIXABWZPGHJ-NRFANRHFSA-N 2 2 382.552 3.807 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857193170 882104279 /nfs/dbraw/zinc/10/42/79/882104279.db2.gz RTRAIXABWZPGHJ-NRFANRHFSA-N 2 2 382.552 3.807 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(Br)c2OC(F)F)CC[N@@H+]1C ZINC000154960842 867683750 /nfs/dbraw/zinc/68/37/50/867683750.db2.gz YKOJWXPRFLACTP-DGCLKSJQSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(Br)c2OC(F)F)CC[N@H+]1C ZINC000154960842 867683758 /nfs/dbraw/zinc/68/37/58/867683758.db2.gz YKOJWXPRFLACTP-DGCLKSJQSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(Br)c2OC(F)F)CC[NH+]1C ZINC000154960842 867683766 /nfs/dbraw/zinc/68/37/66/867683766.db2.gz YKOJWXPRFLACTP-DGCLKSJQSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(Br)c2OC(F)F)CC[NH+]1C ZINC000154960842 867683772 /nfs/dbraw/zinc/68/37/72/867683772.db2.gz YKOJWXPRFLACTP-DGCLKSJQSA-N 2 2 377.273 3.965 20 0 GHADLP CN(C(=O)c1ccc2c(c1)CCCC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096384 868159791 /nfs/dbraw/zinc/15/97/91/868159791.db2.gz NTCLWTIVBMHHRD-DNQXCXABSA-N 2 2 397.607 3.975 20 0 GHADLP CN(C(=O)c1ccc2c(c1)CCCC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096384 868159795 /nfs/dbraw/zinc/15/97/95/868159795.db2.gz NTCLWTIVBMHHRD-DNQXCXABSA-N 2 2 397.607 3.975 20 0 GHADLP C[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000156212533 868289380 /nfs/dbraw/zinc/28/93/80/868289380.db2.gz YHMZKJUGNXKDBB-IRXDYDNUSA-N 2 2 392.540 3.790 20 0 GHADLP C[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000156212533 868289390 /nfs/dbraw/zinc/28/93/90/868289390.db2.gz YHMZKJUGNXKDBB-IRXDYDNUSA-N 2 2 392.540 3.790 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000156253434 868302172 /nfs/dbraw/zinc/30/21/72/868302172.db2.gz ZJTGPMZDJULURJ-HNNXBMFYSA-N 2 2 382.899 3.635 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC000156567938 868401374 /nfs/dbraw/zinc/40/13/74/868401374.db2.gz HQRGXWWYFDHVLL-FGSXEWAUSA-N 2 2 376.504 3.797 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC000156567938 868401380 /nfs/dbraw/zinc/40/13/80/868401380.db2.gz HQRGXWWYFDHVLL-FGSXEWAUSA-N 2 2 376.504 3.797 20 0 GHADLP CC[C@H](C)[C@@H]([NH2+]C1CC[NH+](C)CC1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000157167152 868579052 /nfs/dbraw/zinc/57/90/52/868579052.db2.gz ULBJLYGTRUGJCR-WMZHIEFXSA-N 2 2 385.596 3.566 20 0 GHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000479858461 868611375 /nfs/dbraw/zinc/61/13/75/868611375.db2.gz GYVVXIMXMDXCGU-GOSISDBHSA-N 2 2 375.476 3.851 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157391764 868643565 /nfs/dbraw/zinc/64/35/65/868643565.db2.gz XPLOAFBRGXTPEM-QKLQHJQFSA-N 2 2 377.960 3.856 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157391764 868643569 /nfs/dbraw/zinc/64/35/69/868643569.db2.gz XPLOAFBRGXTPEM-QKLQHJQFSA-N 2 2 377.960 3.856 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535575523 869027525 /nfs/dbraw/zinc/02/75/25/869027525.db2.gz NDOIOILXAVYFBC-GOSISDBHSA-N 2 2 384.549 3.555 20 0 GHADLP CC1CC[NH+](Cc2cccc(CNC(=O)NCCCNc3cccc[nH+]3)c2)CC1 ZINC000524415674 869040443 /nfs/dbraw/zinc/04/04/43/869040443.db2.gz KRLGTZZWIQALGN-UHFFFAOYSA-N 2 2 395.551 3.615 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000766325798 869331348 /nfs/dbraw/zinc/33/13/48/869331348.db2.gz OCFDMVBGIJTMHQ-ROKPMTFOSA-N 2 2 390.531 3.812 20 0 GHADLP CC(C)O[C@H](C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000428432679 869462205 /nfs/dbraw/zinc/46/22/05/869462205.db2.gz FAHABRMUGPLQTA-DNQXCXABSA-N 2 2 382.548 3.722 20 0 GHADLP CC(C)O[C@H](C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000428432679 869462211 /nfs/dbraw/zinc/46/22/11/869462211.db2.gz FAHABRMUGPLQTA-DNQXCXABSA-N 2 2 382.548 3.722 20 0 GHADLP CC(C)O[C@H](C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000428432679 869462216 /nfs/dbraw/zinc/46/22/16/869462216.db2.gz FAHABRMUGPLQTA-DNQXCXABSA-N 2 2 382.548 3.722 20 0 GHADLP CC(C)O[C@H](C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000428432679 869462223 /nfs/dbraw/zinc/46/22/23/869462223.db2.gz FAHABRMUGPLQTA-DNQXCXABSA-N 2 2 382.548 3.722 20 0 GHADLP Cc1cccc(NC(=O)C[C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000539690196 869611970 /nfs/dbraw/zinc/61/19/70/869611970.db2.gz URJVXZWTBNFRTR-GOSISDBHSA-N 2 2 395.551 3.750 20 0 GHADLP COc1ccc(F)cc1C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000462781429 870059069 /nfs/dbraw/zinc/05/90/69/870059069.db2.gz UWIHJMNXBICEOB-OAHLLOKOSA-N 2 2 375.463 3.576 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccnc1 ZINC000539967432 870122826 /nfs/dbraw/zinc/12/28/26/870122826.db2.gz GKSXSDGIIIJQQJ-QGZVFWFLSA-N 2 2 392.469 3.963 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000247979663 870254706 /nfs/dbraw/zinc/25/47/06/870254706.db2.gz MDIXEQVBCDCLAQ-YHYVQYDKSA-N 2 2 386.971 3.838 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000247979663 870254713 /nfs/dbraw/zinc/25/47/13/870254713.db2.gz MDIXEQVBCDCLAQ-YHYVQYDKSA-N 2 2 386.971 3.838 20 0 GHADLP CN(C(=O)C1CCC(F)(F)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248135980 870298376 /nfs/dbraw/zinc/29/83/76/870298376.db2.gz XLFPBHNRDIGRMC-RTBURBONSA-N 2 2 385.543 3.608 20 0 GHADLP CN(C(=O)C1CCC(F)(F)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248135980 870298384 /nfs/dbraw/zinc/29/83/84/870298384.db2.gz XLFPBHNRDIGRMC-RTBURBONSA-N 2 2 385.543 3.608 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000248398086 870368739 /nfs/dbraw/zinc/36/87/39/870368739.db2.gz MQCWPMVHEQSYNS-YPGOJHLTSA-N 2 2 398.551 3.657 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000248398086 870368757 /nfs/dbraw/zinc/36/87/57/870368757.db2.gz MQCWPMVHEQSYNS-YPGOJHLTSA-N 2 2 398.551 3.657 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2Cl)[C@@H](C)C1 ZINC000249440072 870834081 /nfs/dbraw/zinc/83/40/81/870834081.db2.gz LUKRUDPJQXRTMY-PKOBYXMFSA-N 2 2 395.975 3.622 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2Cl)[C@@H](C)C1 ZINC000249440072 870834089 /nfs/dbraw/zinc/83/40/89/870834089.db2.gz LUKRUDPJQXRTMY-PKOBYXMFSA-N 2 2 395.975 3.622 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cn3cc(Cl)cc(Cl)c3n2)[C@@H](C)C1 ZINC000249449203 870836263 /nfs/dbraw/zinc/83/62/63/870836263.db2.gz OBXGPEPKFHTHLC-KSSFIOAISA-N 2 2 399.366 3.868 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn3cc(Cl)cc(Cl)c3n2)[C@@H](C)C1 ZINC000249449203 870836269 /nfs/dbraw/zinc/83/62/69/870836269.db2.gz OBXGPEPKFHTHLC-KSSFIOAISA-N 2 2 399.366 3.868 20 0 GHADLP C[NH+](C)C[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000552026059 870907423 /nfs/dbraw/zinc/90/74/23/870907423.db2.gz XGMCWUKQBMZNOK-FQEVSTJZSA-N 2 2 396.922 3.660 20 0 GHADLP FC(F)(F)COCCC[NH+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000540285347 870916148 /nfs/dbraw/zinc/91/61/48/870916148.db2.gz NAVURGNLHVOYJG-UHFFFAOYSA-N 2 2 387.833 3.979 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168868098 870919317 /nfs/dbraw/zinc/91/93/17/870919317.db2.gz ZXBQUZUEGFUCOD-RXVVDRJESA-N 2 2 387.568 3.981 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168868098 870919330 /nfs/dbraw/zinc/91/93/30/870919330.db2.gz ZXBQUZUEGFUCOD-RXVVDRJESA-N 2 2 387.568 3.981 20 0 GHADLP COc1cccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)c1 ZINC000463138015 870990255 /nfs/dbraw/zinc/99/02/55/870990255.db2.gz NWGOVPPYPACDSG-UCFCWBNQSA-N 2 2 381.564 3.941 20 0 GHADLP COc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)c1 ZINC000463138015 870990264 /nfs/dbraw/zinc/99/02/64/870990264.db2.gz NWGOVPPYPACDSG-UCFCWBNQSA-N 2 2 381.564 3.941 20 0 GHADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)Nc1ccc(Cl)c(F)c1 ZINC001193336604 871028663 /nfs/dbraw/zinc/02/86/63/871028663.db2.gz WKTKHADDGVRVBJ-UHFFFAOYSA-N 2 2 378.879 3.807 20 0 GHADLP O=C(C[NH2+]C1(c2ccccc2)CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000540360581 871119713 /nfs/dbraw/zinc/11/97/13/871119713.db2.gz YHJWUPOQTFEVEE-OAQYLSRUSA-N 2 2 397.950 3.872 20 0 GHADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[C@H]1c1ccccc1 ZINC000525638076 871124676 /nfs/dbraw/zinc/12/46/76/871124676.db2.gz RLWIGQWZGLEFEM-SIKLNZKXSA-N 2 2 397.588 3.518 20 0 GHADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[C@H]1c1ccccc1 ZINC000525638076 871124690 /nfs/dbraw/zinc/12/46/90/871124690.db2.gz RLWIGQWZGLEFEM-SIKLNZKXSA-N 2 2 397.588 3.518 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)Cc3ccsc31)C2 ZINC001169094910 871169687 /nfs/dbraw/zinc/16/96/87/871169687.db2.gz NFIJYSMLDUDDNO-WCXIOVBPSA-N 2 2 377.554 3.755 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)Cc3ccsc31)C2 ZINC001169094910 871169711 /nfs/dbraw/zinc/16/97/11/871169711.db2.gz NFIJYSMLDUDDNO-WCXIOVBPSA-N 2 2 377.554 3.755 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2nc(-c3ccncc3)cs2)[C@H](C)C1 ZINC000539071252 871259046 /nfs/dbraw/zinc/25/90/46/871259046.db2.gz GTPMISZBURNSBN-AOIWGVFYSA-N 2 2 388.581 3.993 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2nc(-c3ccncc3)cs2)[C@H](C)C1 ZINC000539071252 871259059 /nfs/dbraw/zinc/25/90/59/871259059.db2.gz GTPMISZBURNSBN-AOIWGVFYSA-N 2 2 388.581 3.993 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2OCC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000463248427 871263585 /nfs/dbraw/zinc/26/35/85/871263585.db2.gz TWILENUGQNHUAD-VQIMIIECSA-N 2 2 375.463 3.868 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2OCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000463248427 871263602 /nfs/dbraw/zinc/26/36/02/871263602.db2.gz TWILENUGQNHUAD-VQIMIIECSA-N 2 2 375.463 3.868 20 0 GHADLP Cc1cc(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c2[nH+]ccn2c1 ZINC001169515317 871583312 /nfs/dbraw/zinc/58/33/12/871583312.db2.gz AOSWHMKNFKBGMA-ICSRJNTNSA-N 2 2 378.476 3.514 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cc2cc(Br)ccc2o1 ZINC000540595011 871656685 /nfs/dbraw/zinc/65/66/85/871656685.db2.gz MHRNZFRTDHYWFI-RHSMWYFYSA-N 2 2 395.341 3.939 20 0 GHADLP CC1(C)[C@H]([NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)[C@@H]2CCCO[C@H]21 ZINC001194446171 871725931 /nfs/dbraw/zinc/72/59/31/871725931.db2.gz NQQUFPNQRNOXTK-PWRODBHTSA-N 2 2 391.987 3.645 20 0 GHADLP CC1(C)[C@H]([NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)[C@H]2CCCO[C@H]21 ZINC001194446169 871726505 /nfs/dbraw/zinc/72/65/05/871726505.db2.gz NQQUFPNQRNOXTK-NJDAHSKKSA-N 2 2 391.987 3.645 20 0 GHADLP CC(C)[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000447530830 871763340 /nfs/dbraw/zinc/76/33/40/871763340.db2.gz PDDXQNSZFZBTHQ-FGZHOGPDSA-N 2 2 392.547 3.595 20 0 GHADLP CN(C)C(=O)O[C@@H]1CC[N@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001194541606 871780622 /nfs/dbraw/zinc/78/06/22/871780622.db2.gz JLVXSJMNPNEYDI-XZOQPEGZSA-N 2 2 395.547 3.675 20 0 GHADLP CN(C)C(=O)O[C@@H]1CC[N@@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001194541606 871780627 /nfs/dbraw/zinc/78/06/27/871780627.db2.gz JLVXSJMNPNEYDI-XZOQPEGZSA-N 2 2 395.547 3.675 20 0 GHADLP CN(C)C(=O)O[C@@H]1CC[NH+](C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001194541606 871780629 /nfs/dbraw/zinc/78/06/29/871780629.db2.gz JLVXSJMNPNEYDI-XZOQPEGZSA-N 2 2 395.547 3.675 20 0 GHADLP CN(C)C(=O)O[C@@H]1CC[NH+](C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001194541606 871780637 /nfs/dbraw/zinc/78/06/37/871780637.db2.gz JLVXSJMNPNEYDI-XZOQPEGZSA-N 2 2 395.547 3.675 20 0 GHADLP Cc1c([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)nnn1-c1ccc(F)cc1 ZINC000122354004 882557629 /nfs/dbraw/zinc/55/76/29/882557629.db2.gz WTJCMSBRQWPXQY-INIZCTEOSA-N 2 2 397.498 3.506 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C1)C2 ZINC000526004583 871929514 /nfs/dbraw/zinc/92/95/14/871929514.db2.gz LPNXFQHETJDFSV-CEXWTWQISA-N 2 2 386.584 3.751 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C1)C2 ZINC000526004583 871929528 /nfs/dbraw/zinc/92/95/28/871929528.db2.gz LPNXFQHETJDFSV-CEXWTWQISA-N 2 2 386.584 3.751 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C1)CC2 ZINC000526004583 871929543 /nfs/dbraw/zinc/92/95/43/871929543.db2.gz LPNXFQHETJDFSV-CEXWTWQISA-N 2 2 386.584 3.751 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C1)CC2 ZINC000526004583 871929558 /nfs/dbraw/zinc/92/95/58/871929558.db2.gz LPNXFQHETJDFSV-CEXWTWQISA-N 2 2 386.584 3.751 20 0 GHADLP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)cccc21 ZINC000447723651 872212068 /nfs/dbraw/zinc/21/20/68/872212068.db2.gz QKWUSUAIKVPKNT-RTWAWAEBSA-N 2 2 397.494 3.814 20 0 GHADLP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)cccc21 ZINC000447723651 872212079 /nfs/dbraw/zinc/21/20/79/872212079.db2.gz QKWUSUAIKVPKNT-RTWAWAEBSA-N 2 2 397.494 3.814 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2OCc2cccnc2)C[C@@H]1C ZINC000447724104 872213263 /nfs/dbraw/zinc/21/32/63/872213263.db2.gz TXOOZLRKUNDHNY-RXVVDRJESA-N 2 2 383.536 3.974 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2OCc2cccnc2)C[C@@H]1C ZINC000447724104 872213278 /nfs/dbraw/zinc/21/32/78/872213278.db2.gz TXOOZLRKUNDHNY-RXVVDRJESA-N 2 2 383.536 3.974 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)cc2OCc2cccnc2)C[C@@H]1C ZINC000447724104 872213293 /nfs/dbraw/zinc/21/32/93/872213293.db2.gz TXOOZLRKUNDHNY-RXVVDRJESA-N 2 2 383.536 3.974 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)cc2OCc2cccnc2)C[C@@H]1C ZINC000447724104 872213309 /nfs/dbraw/zinc/21/33/09/872213309.db2.gz TXOOZLRKUNDHNY-RXVVDRJESA-N 2 2 383.536 3.974 20 0 GHADLP CC[N@@H+](Cc1ccc(OC)c(OC)c1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564636 872272396 /nfs/dbraw/zinc/27/23/96/872272396.db2.gz OWJHFLJZKRTJRN-UHFFFAOYSA-N 2 2 399.535 3.846 20 0 GHADLP CC[N@H+](Cc1ccc(OC)c(OC)c1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564636 872272408 /nfs/dbraw/zinc/27/24/08/872272408.db2.gz OWJHFLJZKRTJRN-UHFFFAOYSA-N 2 2 399.535 3.846 20 0 GHADLP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@H]1C ZINC000463687059 872330066 /nfs/dbraw/zinc/33/00/66/872330066.db2.gz YEWNGNFUQBELPX-SJORKVTESA-N 2 2 381.524 3.833 20 0 GHADLP CC[N@H+]1C[C@H](C)N(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@H]1C ZINC000463687059 872330072 /nfs/dbraw/zinc/33/00/72/872330072.db2.gz YEWNGNFUQBELPX-SJORKVTESA-N 2 2 381.524 3.833 20 0 GHADLP C[NH+]1CCN([C@@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)c2cccs2)CC1 ZINC000540915493 872494827 /nfs/dbraw/zinc/49/48/27/872494827.db2.gz XIJZKPBJVWXOQS-GMAHTHKFSA-N 2 2 392.572 3.811 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000552343857 872502367 /nfs/dbraw/zinc/50/23/67/872502367.db2.gz PUFBWAUNPRKFNS-HXUWFJFHSA-N 2 2 395.547 3.833 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000552343857 872502376 /nfs/dbraw/zinc/50/23/76/872502376.db2.gz PUFBWAUNPRKFNS-HXUWFJFHSA-N 2 2 395.547 3.833 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000552343857 872502385 /nfs/dbraw/zinc/50/23/85/872502385.db2.gz PUFBWAUNPRKFNS-HXUWFJFHSA-N 2 2 395.547 3.833 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000552343857 872502395 /nfs/dbraw/zinc/50/23/95/872502395.db2.gz PUFBWAUNPRKFNS-HXUWFJFHSA-N 2 2 395.547 3.833 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1([NH+]3CCCCC3)CCCCC1)C2 ZINC000527215531 872822305 /nfs/dbraw/zinc/82/23/05/872822305.db2.gz IYTHHPKTXZROBF-SFHVURJKSA-N 2 2 386.584 3.943 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1([NH+]3CCCCC3)CCCCC1)CC2 ZINC000527215531 872822322 /nfs/dbraw/zinc/82/23/22/872822322.db2.gz IYTHHPKTXZROBF-SFHVURJKSA-N 2 2 386.584 3.943 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1([NH+]3CCCCC3)CCCCC1)C2 ZINC000527215530 872822733 /nfs/dbraw/zinc/82/27/33/872822733.db2.gz IYTHHPKTXZROBF-GOSISDBHSA-N 2 2 386.584 3.943 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1([NH+]3CCCCC3)CCCCC1)CC2 ZINC000527215530 872822743 /nfs/dbraw/zinc/82/27/43/872822743.db2.gz IYTHHPKTXZROBF-GOSISDBHSA-N 2 2 386.584 3.943 20 0 GHADLP CC[NH+](CC)CCCC1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000541097988 872920574 /nfs/dbraw/zinc/92/05/74/872920574.db2.gz FXXREMVVVQWSFS-UHFFFAOYSA-N 2 2 397.567 3.916 20 0 GHADLP c1cc(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cs1 ZINC000541169158 873084008 /nfs/dbraw/zinc/08/40/08/873084008.db2.gz BKBYSTBPSHTORQ-OAQYLSRUSA-N 2 2 384.593 3.610 20 0 GHADLP c1cc(CCC[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cs1 ZINC000541169158 873084020 /nfs/dbraw/zinc/08/40/20/873084020.db2.gz BKBYSTBPSHTORQ-OAQYLSRUSA-N 2 2 384.593 3.610 20 0 GHADLP O=C1COc2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc2N1 ZINC000508370793 873188214 /nfs/dbraw/zinc/18/82/14/873188214.db2.gz LWIBZCUGAMERMV-DEOSSOPVSA-N 2 2 391.515 3.506 20 0 GHADLP O=C1COc2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc2N1 ZINC000508370793 873188223 /nfs/dbraw/zinc/18/82/23/873188223.db2.gz LWIBZCUGAMERMV-DEOSSOPVSA-N 2 2 391.515 3.506 20 0 GHADLP O=C1COc2ccc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)cc2N1 ZINC000508370793 873188230 /nfs/dbraw/zinc/18/82/30/873188230.db2.gz LWIBZCUGAMERMV-DEOSSOPVSA-N 2 2 391.515 3.506 20 0 GHADLP O=C1COc2ccc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)cc2N1 ZINC000508370793 873188236 /nfs/dbraw/zinc/18/82/36/873188236.db2.gz LWIBZCUGAMERMV-DEOSSOPVSA-N 2 2 391.515 3.506 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[C@H](C[NH+]3CCC(C)CC3)C1)C2 ZINC000527531191 873222938 /nfs/dbraw/zinc/22/29/38/873222938.db2.gz OLOTYRMGLOUJPQ-MOPGFXCFSA-N 2 2 386.584 3.609 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[C@H](C[NH+]3CCC(C)CC3)C1)CC2 ZINC000527531191 873222948 /nfs/dbraw/zinc/22/29/48/873222948.db2.gz OLOTYRMGLOUJPQ-MOPGFXCFSA-N 2 2 386.584 3.609 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(F)c(Br)cc1F ZINC000527899390 873734644 /nfs/dbraw/zinc/73/46/44/873734644.db2.gz VGVCNMXKRZBBKE-STQMWFEESA-N 2 2 391.300 3.879 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(F)c(Br)cc1F ZINC000527899390 873734650 /nfs/dbraw/zinc/73/46/50/873734650.db2.gz VGVCNMXKRZBBKE-STQMWFEESA-N 2 2 391.300 3.879 20 0 GHADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541528479 873777678 /nfs/dbraw/zinc/77/76/78/873777678.db2.gz QORTWOGXOSKCOO-LJQANCHMSA-N 2 2 398.378 3.948 20 0 GHADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541528479 873777692 /nfs/dbraw/zinc/77/76/92/873777692.db2.gz QORTWOGXOSKCOO-LJQANCHMSA-N 2 2 398.378 3.948 20 0 GHADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1OC ZINC000527948539 873794093 /nfs/dbraw/zinc/79/40/93/873794093.db2.gz LTMKELDTQYAHNH-XLIONFOSSA-N 2 2 376.541 3.778 20 0 GHADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1OC ZINC000527948539 873794099 /nfs/dbraw/zinc/79/40/99/873794099.db2.gz LTMKELDTQYAHNH-XLIONFOSSA-N 2 2 376.541 3.778 20 0 GHADLP Fc1ccc([C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2cnccn2)cc1 ZINC000541549407 873846471 /nfs/dbraw/zinc/84/64/71/873846471.db2.gz HZDSJQIMLLYZKG-HSZRJFAPSA-N 2 2 387.462 3.782 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccc3c[nH]nc3c2Cl)cc1 ZINC001198030917 874187827 /nfs/dbraw/zinc/18/78/27/874187827.db2.gz PSPUERMXFCOGNR-UHFFFAOYSA-N 2 2 399.926 3.852 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccc3c[nH]nc3c2Cl)cc1 ZINC001198030917 874187834 /nfs/dbraw/zinc/18/78/34/874187834.db2.gz PSPUERMXFCOGNR-UHFFFAOYSA-N 2 2 399.926 3.852 20 0 GHADLP C[C@H](C[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)NC(=O)OC(C)(C)C ZINC000769683750 874206978 /nfs/dbraw/zinc/20/69/78/874206978.db2.gz AGHKKEJGTZNIQB-SCTDSRPQSA-N 2 2 386.540 3.985 20 0 GHADLP Cc1ccc(-c2ccsc2C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000122942762 882822203 /nfs/dbraw/zinc/82/22/03/882822203.db2.gz QLQOTPJCCAYOTK-UHFFFAOYSA-N 2 2 385.577 3.822 20 0 GHADLP Cc1ccc(-c2ccsc2C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000122942762 882822221 /nfs/dbraw/zinc/82/22/21/882822221.db2.gz QLQOTPJCCAYOTK-UHFFFAOYSA-N 2 2 385.577 3.822 20 0 GHADLP C[C@@H](N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H](c1ccccc1)[NH+](C)C ZINC000769988297 874388091 /nfs/dbraw/zinc/38/80/91/874388091.db2.gz KLCSKXKEILXUIA-KZTDQWPFSA-N 2 2 381.564 3.557 20 0 GHADLP C[C@@H](N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H](c1ccccc1)[NH+](C)C ZINC000769988297 874388104 /nfs/dbraw/zinc/38/81/04/874388104.db2.gz KLCSKXKEILXUIA-KZTDQWPFSA-N 2 2 381.564 3.557 20 0 GHADLP C[N@H+](Cc1ccc2c(c1)OCCCCO2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000449021833 874389028 /nfs/dbraw/zinc/38/90/28/874389028.db2.gz VQNASUZFNLPJQD-UHFFFAOYSA-N 2 2 395.547 3.772 20 0 GHADLP C[N@@H+](Cc1ccc2c(c1)OCCCCO2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000449021833 874389046 /nfs/dbraw/zinc/38/90/46/874389046.db2.gz VQNASUZFNLPJQD-UHFFFAOYSA-N 2 2 395.547 3.772 20 0 GHADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC2 ZINC000449061703 874398890 /nfs/dbraw/zinc/39/88/90/874398890.db2.gz JKQRDJWRBXEASO-SFHVURJKSA-N 2 2 376.422 3.713 20 0 GHADLP c1cn(Cc2ccccc2)c(CC[NH2+]Cc2ccc3c(c2)OCCCCO3)[nH+]1 ZINC000449070922 874449500 /nfs/dbraw/zinc/44/95/00/874449500.db2.gz FYAAAFGMMJFVSV-UHFFFAOYSA-N 2 2 377.488 3.815 20 0 GHADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464832710 874565973 /nfs/dbraw/zinc/56/59/73/874565973.db2.gz CLUHOWLUUGCXNH-QUCCMNQESA-N 2 2 399.966 3.799 20 0 GHADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464832710 874565983 /nfs/dbraw/zinc/56/59/83/874565983.db2.gz CLUHOWLUUGCXNH-QUCCMNQESA-N 2 2 399.966 3.799 20 0 GHADLP C[C@H](C(=O)NCc1ccccc1Cl)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464832710 874565989 /nfs/dbraw/zinc/56/59/89/874565989.db2.gz CLUHOWLUUGCXNH-QUCCMNQESA-N 2 2 399.966 3.799 20 0 GHADLP C[C@H](C(=O)NCc1ccccc1Cl)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464832710 874565997 /nfs/dbraw/zinc/56/59/97/874565997.db2.gz CLUHOWLUUGCXNH-QUCCMNQESA-N 2 2 399.966 3.799 20 0 GHADLP Cc1cccc(C)c1NC(=O)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449220454 874609541 /nfs/dbraw/zinc/60/95/41/874609541.db2.gz QKSMSKLAWJOGFE-HXUWFJFHSA-N 2 2 379.548 3.927 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC001198789917 874611150 /nfs/dbraw/zinc/61/11/50/874611150.db2.gz AZPDLZRVUXAGTN-RBUKOAKNSA-N 2 2 375.557 3.793 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC001198789917 874611155 /nfs/dbraw/zinc/61/11/55/874611155.db2.gz AZPDLZRVUXAGTN-RBUKOAKNSA-N 2 2 375.557 3.793 20 0 GHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464854281 874643119 /nfs/dbraw/zinc/64/31/19/874643119.db2.gz SGXHAGGWZLQSBS-NZQKXSOJSA-N 2 2 383.580 3.836 20 0 GHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464854281 874643129 /nfs/dbraw/zinc/64/31/29/874643129.db2.gz SGXHAGGWZLQSBS-NZQKXSOJSA-N 2 2 383.580 3.836 20 0 GHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464854281 874643139 /nfs/dbraw/zinc/64/31/39/874643139.db2.gz SGXHAGGWZLQSBS-NZQKXSOJSA-N 2 2 383.580 3.836 20 0 GHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464854281 874643148 /nfs/dbraw/zinc/64/31/48/874643148.db2.gz SGXHAGGWZLQSBS-NZQKXSOJSA-N 2 2 383.580 3.836 20 0 GHADLP COCCn1cc2c(n1)[C@@H]([NH2+]C1CC[NH+]([C@H](C)Cc3ccccc3)CC1)CCC2 ZINC000449243745 874650865 /nfs/dbraw/zinc/65/08/65/874650865.db2.gz MWEDNLDBXJWVRX-XXBNENTESA-N 2 2 396.579 3.592 20 0 GHADLP Cc1csc(CC[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)n1 ZINC001199198999 874848586 /nfs/dbraw/zinc/84/85/86/874848586.db2.gz VYHGPJQQLWCUCR-UHFFFAOYSA-N 2 2 376.913 3.713 20 0 GHADLP Fc1ccc(-c2noc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)n2)cc1F ZINC000542132340 875030426 /nfs/dbraw/zinc/03/04/26/875030426.db2.gz XFMNVOOPWLBVHL-UHFFFAOYSA-N 2 2 387.434 3.904 20 0 GHADLP CCc1cccc2cc(C[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)oc21 ZINC001199776648 875181281 /nfs/dbraw/zinc/18/12/81/875181281.db2.gz FMUGMDSIMICSAO-UHFFFAOYSA-N 2 2 394.515 3.996 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(Br)s1 ZINC000178638896 882928377 /nfs/dbraw/zinc/92/83/77/882928377.db2.gz RNDHLVFYCTVINR-PBHICJAKSA-N 2 2 394.382 3.948 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(Br)s1 ZINC000178638896 882928382 /nfs/dbraw/zinc/92/83/82/882928382.db2.gz RNDHLVFYCTVINR-PBHICJAKSA-N 2 2 394.382 3.948 20 0 GHADLP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001201971497 875959709 /nfs/dbraw/zinc/95/97/09/875959709.db2.gz FFEPOTXDUKDRKI-RTWAWAEBSA-N 2 2 387.616 3.780 20 0 GHADLP CC(C)=CCC[C@@H](C)CC[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001201971497 875959712 /nfs/dbraw/zinc/95/97/12/875959712.db2.gz FFEPOTXDUKDRKI-RTWAWAEBSA-N 2 2 387.616 3.780 20 0 GHADLP Brc1ccc2oc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc2c1 ZINC000850134740 876690569 /nfs/dbraw/zinc/69/05/69/876690569.db2.gz DORHQVGRYXFPTP-QGZVFWFLSA-N 2 2 393.325 3.928 20 0 GHADLP COC[C@@H](C)Oc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000850160776 876705698 /nfs/dbraw/zinc/70/56/98/876705698.db2.gz ZIYNHRMLTWHWRN-LJQANCHMSA-N 2 2 397.563 3.925 20 0 GHADLP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000850436941 876920491 /nfs/dbraw/zinc/92/04/91/876920491.db2.gz IEJGGMOBMNTUCW-QGZVFWFLSA-N 2 2 375.557 3.679 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)ccc1Cl ZINC000850516225 876987123 /nfs/dbraw/zinc/98/71/23/876987123.db2.gz SYKKIPZVHPNDJX-KRWDZBQOSA-N 2 2 399.922 3.808 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)ccc1Cl ZINC000850516225 876987130 /nfs/dbraw/zinc/98/71/30/876987130.db2.gz SYKKIPZVHPNDJX-KRWDZBQOSA-N 2 2 399.922 3.808 20 0 GHADLP C[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000850565077 877030928 /nfs/dbraw/zinc/03/09/28/877030928.db2.gz KJPHTUGUEUSXDZ-YPHUNTSASA-N 2 2 382.508 3.922 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccccc3-n3ccnc3)CC2)cc1 ZINC000152249523 877441120 /nfs/dbraw/zinc/44/11/20/877441120.db2.gz BGHFVPGAQBASSJ-UHFFFAOYSA-N 2 2 375.520 3.697 20 0 GHADLP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000530355253 877616692 /nfs/dbraw/zinc/61/66/92/877616692.db2.gz OKRYFGNXHJHIBC-NRFANRHFSA-N 2 2 383.879 3.766 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](CCOc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC000788003298 877769771 /nfs/dbraw/zinc/76/97/71/877769771.db2.gz AAVCPRGHTWTSPS-UHFFFAOYSA-N 2 2 394.471 3.727 20 0 GHADLP C[C@]1(c2ccccc2)CCN(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1=O ZINC000788381571 878045073 /nfs/dbraw/zinc/04/50/73/878045073.db2.gz FKERIJAMBXRRJF-XMMPIXPASA-N 2 2 392.547 3.547 20 0 GHADLP CC1(C)C(=O)N(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)[C@H]1c1ccccc1 ZINC000788382988 878046372 /nfs/dbraw/zinc/04/63/72/878046372.db2.gz RKRPXXWXOPXCIL-NRFANRHFSA-N 2 2 392.547 3.966 20 0 GHADLP Fc1cc2[nH+]ccc(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2cc1Br ZINC000649304650 878053806 /nfs/dbraw/zinc/05/38/06/878053806.db2.gz OQULZWMFTZFTPW-CYBMUJFWSA-N 2 2 394.288 3.802 20 0 GHADLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000852123821 878087609 /nfs/dbraw/zinc/08/76/09/878087609.db2.gz KPVCGHNAZYTEBU-UHFFFAOYSA-N 2 2 391.556 3.606 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(CC([NH2+]C[C@@H](c3ccccc3)[NH+]3CCCC3)C2)C1 ZINC000788499505 878107220 /nfs/dbraw/zinc/10/72/20/878107220.db2.gz VCJOTCCNTLIFCW-FQEVSTJZSA-N 2 2 385.552 3.813 20 0 GHADLP CN(C(=O)Nc1cc(F)ccc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245604857 878188200 /nfs/dbraw/zinc/18/82/00/878188200.db2.gz YAVTXISQPRVESG-WOJBJXKFSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1cc(F)ccc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245604857 878188209 /nfs/dbraw/zinc/18/82/09/878188209.db2.gz YAVTXISQPRVESG-WOJBJXKFSA-N 2 2 394.510 3.766 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000530711264 878324026 /nfs/dbraw/zinc/32/40/26/878324026.db2.gz DWMYIVIUSDOYFH-JOCHJYFZSA-N 2 2 388.515 3.689 20 0 GHADLP CN(C(=O)c1coc2ccccc12)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245679718 878361441 /nfs/dbraw/zinc/36/14/41/878361441.db2.gz GZNNLNONJUUXLM-NHCUHLMSSA-N 2 2 383.536 3.842 20 0 GHADLP CN(C(=O)c1coc2ccccc12)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245679718 878361456 /nfs/dbraw/zinc/36/14/56/878361456.db2.gz GZNNLNONJUUXLM-NHCUHLMSSA-N 2 2 383.536 3.842 20 0 GHADLP CN(C(=O)c1cccc(Cl)c1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245719485 878466479 /nfs/dbraw/zinc/46/64/79/878466479.db2.gz PIMIHHFKZVBJCU-RTBURBONSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1cccc(Cl)c1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245719485 878466486 /nfs/dbraw/zinc/46/64/86/878466486.db2.gz PIMIHHFKZVBJCU-RTBURBONSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1ccc2c(c1)CCC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245726556 878478058 /nfs/dbraw/zinc/47/80/58/878478058.db2.gz RABLTSVDMWLDHL-DHIUTWEWSA-N 2 2 383.580 3.585 20 0 GHADLP CN(C(=O)c1ccc2c(c1)CCC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245726556 878478060 /nfs/dbraw/zinc/47/80/60/878478060.db2.gz RABLTSVDMWLDHL-DHIUTWEWSA-N 2 2 383.580 3.585 20 0 GHADLP C[C@@H](c1c(F)cccc1F)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538046104 878756896 /nfs/dbraw/zinc/75/68/96/878756896.db2.gz WIXQAQPCMXPWMU-BBWFWOEESA-N 2 2 382.495 3.616 20 0 GHADLP C[C@@H](c1c(F)cccc1F)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538046104 878756913 /nfs/dbraw/zinc/75/69/13/878756913.db2.gz WIXQAQPCMXPWMU-BBWFWOEESA-N 2 2 382.495 3.616 20 0 GHADLP COc1ccc(Cl)cc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000530952656 878831069 /nfs/dbraw/zinc/83/10/69/878831069.db2.gz FUAIKJXDIZYXIW-UHFFFAOYSA-N 3 2 394.003 3.977 20 0 GHADLP COc1ccc(Cl)cc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000530952656 878831084 /nfs/dbraw/zinc/83/10/84/878831084.db2.gz FUAIKJXDIZYXIW-UHFFFAOYSA-N 3 2 394.003 3.977 20 0 GHADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000460950346 878846213 /nfs/dbraw/zinc/84/62/13/878846213.db2.gz FDVHWTWUUKHVOP-FPOVZHCZSA-N 2 2 385.556 3.661 20 0 GHADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000460950346 878846222 /nfs/dbraw/zinc/84/62/22/878846222.db2.gz FDVHWTWUUKHVOP-FPOVZHCZSA-N 2 2 385.556 3.661 20 0 GHADLP CN(C(=O)N[C@H](C1CC1)C1CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000459202597 879033835 /nfs/dbraw/zinc/03/38/35/879033835.db2.gz SPWJIUBUHWLBKG-VSKRKVRLSA-N 2 2 390.616 3.544 20 0 GHADLP CN(C(=O)N[C@H](C1CC1)C1CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459202597 879033846 /nfs/dbraw/zinc/03/38/46/879033846.db2.gz SPWJIUBUHWLBKG-VSKRKVRLSA-N 2 2 390.616 3.544 20 0 GHADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000178248165 879057693 /nfs/dbraw/zinc/05/76/93/879057693.db2.gz BYGKZROHCUTVEE-GOSISDBHSA-N 2 2 392.503 3.526 20 0 GHADLP C[N@H+](CCN1CC[NH+](CCc2c(F)cccc2Cl)CC1)Cc1ccccc1 ZINC000531109751 879149510 /nfs/dbraw/zinc/14/95/10/879149510.db2.gz DEWJGQISALQWMQ-UHFFFAOYSA-N 2 2 389.946 3.771 20 0 GHADLP C[N@@H+](CCN1CC[NH+](CCc2c(F)cccc2Cl)CC1)Cc1ccccc1 ZINC000531109751 879149517 /nfs/dbraw/zinc/14/95/17/879149517.db2.gz DEWJGQISALQWMQ-UHFFFAOYSA-N 2 2 389.946 3.771 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(OC(C)(C)C)cc1 ZINC000285826963 912459333 /nfs/dbraw/zinc/45/93/33/912459333.db2.gz XMCHSRKSXLZRQM-VOBGVNJCSA-N 2 2 387.568 3.598 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(OC(C)(C)C)cc1 ZINC000285826963 912459395 /nfs/dbraw/zinc/45/93/95/912459395.db2.gz XMCHSRKSXLZRQM-VOBGVNJCSA-N 2 2 387.568 3.598 20 0 GHADLP Cc1cc(Br)cn2c(CN3CCC[C@@H]([NH+]4CCCC4)CC3)c[nH+]c12 ZINC000542468576 879552890 /nfs/dbraw/zinc/55/28/90/879552890.db2.gz HHDGINYXOAZSKE-QGZVFWFLSA-N 2 2 391.357 3.856 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000246459164 879581468 /nfs/dbraw/zinc/58/14/68/879581468.db2.gz FHKKKHLKKNAJEO-JKFKMHIGSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000246459164 879581477 /nfs/dbraw/zinc/58/14/77/879581477.db2.gz FHKKKHLKKNAJEO-JKFKMHIGSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000246459164 879581490 /nfs/dbraw/zinc/58/14/90/879581490.db2.gz FHKKKHLKKNAJEO-JKFKMHIGSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000246459164 879581503 /nfs/dbraw/zinc/58/15/03/879581503.db2.gz FHKKKHLKKNAJEO-JKFKMHIGSA-N 2 2 391.559 3.966 20 0 GHADLP CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246542692 879666492 /nfs/dbraw/zinc/66/64/92/879666492.db2.gz JYUVUPXAZZOEJI-HARLFGEKSA-N 2 2 387.543 3.588 20 0 GHADLP CC(C)[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246542692 879666504 /nfs/dbraw/zinc/66/65/04/879666504.db2.gz JYUVUPXAZZOEJI-HARLFGEKSA-N 2 2 387.543 3.588 20 0 GHADLP CC(C)[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246542692 879666523 /nfs/dbraw/zinc/66/65/23/879666523.db2.gz JYUVUPXAZZOEJI-HARLFGEKSA-N 2 2 387.543 3.588 20 0 GHADLP CC(C)[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246542692 879666532 /nfs/dbraw/zinc/66/65/32/879666532.db2.gz JYUVUPXAZZOEJI-HARLFGEKSA-N 2 2 387.543 3.588 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)CC1 ZINC000538555179 879705580 /nfs/dbraw/zinc/70/55/80/879705580.db2.gz PNGQRLKAHKCZGL-QHCPKHFHSA-N 2 2 393.575 3.767 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(OC(F)F)cc1 ZINC000538558173 879713446 /nfs/dbraw/zinc/71/34/46/879713446.db2.gz RNOUKUNUPVQAGZ-RHSMWYFYSA-N 2 2 376.451 3.996 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cnc(C3CCCCC3)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000531451503 879845363 /nfs/dbraw/zinc/84/53/63/879845363.db2.gz LGKYBVNFMNCCNV-JOCHJYFZSA-N 2 2 385.577 3.917 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cnc(C3CCCCC3)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000531451503 879845382 /nfs/dbraw/zinc/84/53/82/879845382.db2.gz LGKYBVNFMNCCNV-JOCHJYFZSA-N 2 2 385.577 3.917 20 0 GHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246917682 879849427 /nfs/dbraw/zinc/84/94/27/879849427.db2.gz CVERIDRBACYMFL-IAGOWNOFSA-N 2 2 395.950 3.776 20 0 GHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246917682 879849443 /nfs/dbraw/zinc/84/94/43/879849443.db2.gz CVERIDRBACYMFL-IAGOWNOFSA-N 2 2 395.950 3.776 20 0 GHADLP CCN(C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000247006985 879880205 /nfs/dbraw/zinc/88/02/05/879880205.db2.gz IUEXOTPDRVQQSB-WIYYLYMNSA-N 2 2 375.532 3.686 20 0 GHADLP CCN(C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000247006985 879880229 /nfs/dbraw/zinc/88/02/29/879880229.db2.gz IUEXOTPDRVQQSB-WIYYLYMNSA-N 2 2 375.532 3.686 20 0 GHADLP Cc1nc2ccccn2c1C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000531488868 879957904 /nfs/dbraw/zinc/95/79/04/879957904.db2.gz GDHVVJQPGULPBQ-UHFFFAOYSA-N 2 2 397.954 3.598 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1nnnn1-c1ccccc1 ZINC000247466241 880005855 /nfs/dbraw/zinc/00/58/55/880005855.db2.gz RIOHXHINLWYLMM-RBUKOAKNSA-N 2 2 390.535 3.888 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1nnnn1-c1ccccc1 ZINC000247466241 880005871 /nfs/dbraw/zinc/00/58/71/880005871.db2.gz RIOHXHINLWYLMM-RBUKOAKNSA-N 2 2 390.535 3.888 20 0 GHADLP c1csc(-c2cnc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)o2)c1 ZINC000182984107 880046405 /nfs/dbraw/zinc/04/64/05/880046405.db2.gz QKVBZHQXVTVNLT-UHFFFAOYSA-N 2 2 375.538 3.728 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CC(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000531719622 880375533 /nfs/dbraw/zinc/37/55/33/880375533.db2.gz UFJFJVUIRGREKE-INIZCTEOSA-N 2 2 395.975 3.845 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1C ZINC000185343231 880549708 /nfs/dbraw/zinc/54/97/08/880549708.db2.gz ZZXYDKBGSPGXKJ-UHFFFAOYSA-N 2 2 395.547 3.968 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc(-c2ccccc2)nn1C ZINC000453168322 880569262 /nfs/dbraw/zinc/56/92/62/880569262.db2.gz FCRVOCKPJNCKPC-YLJYHZDGSA-N 2 2 390.535 3.796 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCc4c(O)cccc43)CC2)cc1 ZINC000453326806 880799363 /nfs/dbraw/zinc/79/93/63/880799363.db2.gz NXIIMJRPUOXEDI-QHCPKHFHSA-N 2 2 393.531 3.982 20 0 GHADLP c1ccc(C[N@H+]2CCCC[C@H]2CNC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000119694812 881106450 /nfs/dbraw/zinc/10/64/50/881106450.db2.gz IPBXGSMBJTWBRB-DEOSSOPVSA-N 2 2 378.564 3.690 20 0 GHADLP c1ccc(C[N@@H+]2CCCC[C@H]2CNC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000119694812 881106460 /nfs/dbraw/zinc/10/64/60/881106460.db2.gz IPBXGSMBJTWBRB-DEOSSOPVSA-N 2 2 378.564 3.690 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1NC(C)=O ZINC000181590694 883165998 /nfs/dbraw/zinc/16/59/98/883165998.db2.gz CZNQSHPYVDDTNY-IAGOWNOFSA-N 2 2 396.535 3.925 20 0 GHADLP CSc1cccc(C)c1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000185028893 883399857 /nfs/dbraw/zinc/39/98/57/883399857.db2.gz CTARRZOJKUCDGC-UHFFFAOYSA-N 2 2 390.597 3.789 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000859157077 883626330 /nfs/dbraw/zinc/62/63/30/883626330.db2.gz YDYNVDFSVYYYCJ-COPRSSIGSA-N 4 2 396.740 3.524 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000859157077 883626338 /nfs/dbraw/zinc/62/63/38/883626338.db2.gz YDYNVDFSVYYYCJ-COPRSSIGSA-N 4 2 396.740 3.524 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[NH+]1C ZINC000859157077 883626343 /nfs/dbraw/zinc/62/63/43/883626343.db2.gz YDYNVDFSVYYYCJ-COPRSSIGSA-N 4 2 396.740 3.524 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[NH+]1C ZINC000859157077 883626351 /nfs/dbraw/zinc/62/63/51/883626351.db2.gz YDYNVDFSVYYYCJ-COPRSSIGSA-N 4 2 396.740 3.524 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)Nc2nc(-c3ccco3)cs2)cc1 ZINC000859212595 883665692 /nfs/dbraw/zinc/66/56/92/883665692.db2.gz QCAZDINPWIZBGW-UHFFFAOYSA-N 2 2 384.505 3.535 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)Nc2nc(-c3ccco3)cs2)cc1 ZINC000859212595 883665694 /nfs/dbraw/zinc/66/56/94/883665694.db2.gz QCAZDINPWIZBGW-UHFFFAOYSA-N 2 2 384.505 3.535 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2nc(-c3cc(F)c(F)c(F)c3)no2)cc1 ZINC000859213979 883666996 /nfs/dbraw/zinc/66/69/96/883666996.db2.gz DCBWEJXGCNZINS-UHFFFAOYSA-N 2 2 390.409 3.848 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2nc(-c3cc(F)c(F)c(F)c3)no2)cc1 ZINC000859213979 883667009 /nfs/dbraw/zinc/66/70/09/883667009.db2.gz DCBWEJXGCNZINS-UHFFFAOYSA-N 2 2 390.409 3.848 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](C[C@H]3CCOC3)c3ccc(F)cc3)[nH+]c2)C1 ZINC000494831003 884031168 /nfs/dbraw/zinc/03/11/68/884031168.db2.gz WOQTUSMGTWGRMC-ZPMCFJSWSA-N 2 2 398.526 3.941 20 0 GHADLP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000498367384 884180648 /nfs/dbraw/zinc/18/06/48/884180648.db2.gz LEQIOEONSKWVKC-LJQANCHMSA-N 2 2 383.540 3.841 20 0 GHADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000494930485 884208456 /nfs/dbraw/zinc/20/84/56/884208456.db2.gz OUTGQESTBDEZRQ-UHFFFAOYSA-N 2 2 379.957 3.664 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cccc(-n2ccnn2)c1 ZINC000806143957 884403655 /nfs/dbraw/zinc/40/36/55/884403655.db2.gz XWAGAQQENIMALC-SFHVURJKSA-N 2 2 390.535 3.653 20 0 GHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[NH+](C)C ZINC000806551429 884770795 /nfs/dbraw/zinc/77/07/95/884770795.db2.gz NCORODLRHZEJCD-GCJKJVERSA-N 2 2 391.519 3.671 20 0 GHADLP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498561524 884835774 /nfs/dbraw/zinc/83/57/74/884835774.db2.gz GCQZEIHMJQPXPN-UXHICEINSA-N 2 2 382.527 3.816 20 0 GHADLP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498561524 884835789 /nfs/dbraw/zinc/83/57/89/884835789.db2.gz GCQZEIHMJQPXPN-UXHICEINSA-N 2 2 382.527 3.816 20 0 GHADLP CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000460336981 884908127 /nfs/dbraw/zinc/90/81/27/884908127.db2.gz CQLOAXCEGMDNRJ-UHFFFAOYSA-N 2 2 383.540 3.670 20 0 GHADLP CCn1c2ccccc2[nH+]c1NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000460680681 884997612 /nfs/dbraw/zinc/99/76/12/884997612.db2.gz ZBBXJWLZFZHSKD-UHFFFAOYSA-N 2 2 377.536 3.621 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000303289080 885504419 /nfs/dbraw/zinc/50/44/19/885504419.db2.gz WMNQNUMORBECIT-AWEZNQCLSA-N 2 2 381.398 3.872 20 0 GHADLP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000532468802 885655634 /nfs/dbraw/zinc/65/56/34/885655634.db2.gz VANSPPYVQLAAHA-LJQANCHMSA-N 2 2 384.520 3.565 20 0 GHADLP CC1CC[NH+]([C@H](C[NH2+]C2CCN(c3cnccn3)CC2)c2ccccc2)CC1 ZINC000532477036 885769962 /nfs/dbraw/zinc/76/99/62/885769962.db2.gz ISFWJOLANKCKPK-JOCHJYFZSA-N 2 2 379.552 3.508 20 0 GHADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532521946 885881678 /nfs/dbraw/zinc/88/16/78/885881678.db2.gz AGZZBYBCSHQLBZ-SKPFHBQLSA-N 2 2 390.531 3.812 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccsc1 ZINC000056895293 886389025 /nfs/dbraw/zinc/38/90/25/886389025.db2.gz VSFSAIHIYPFTRZ-HXUWFJFHSA-N 2 2 397.548 3.816 20 0 GHADLP c1ccc(C[N@@H+]2CCC3(C2)CCN(c2nc(N4CCCC4)cc[nH+]2)CC3)cc1 ZINC000762562021 886392858 /nfs/dbraw/zinc/39/28/58/886392858.db2.gz WRPAEDKVSMNVEP-UHFFFAOYSA-N 2 2 377.536 3.569 20 0 GHADLP c1ccc(C[N@H+]2CCC3(C2)CCN(c2nc(N4CCCC4)cc[nH+]2)CC3)cc1 ZINC000762562021 886392875 /nfs/dbraw/zinc/39/28/75/886392875.db2.gz WRPAEDKVSMNVEP-UHFFFAOYSA-N 2 2 377.536 3.569 20 0 GHADLP COc1cccc(C(F)(F)F)c1CNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168491892 886450790 /nfs/dbraw/zinc/45/07/90/886450790.db2.gz QUIZZLYEAIJCLN-OAHLLOKOSA-N 2 2 379.426 3.859 20 0 GHADLP COc1cccc(C(F)(F)F)c1CNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168491892 886450798 /nfs/dbraw/zinc/45/07/98/886450798.db2.gz QUIZZLYEAIJCLN-OAHLLOKOSA-N 2 2 379.426 3.859 20 0 GHADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000499050997 886465379 /nfs/dbraw/zinc/46/53/79/886465379.db2.gz BNJFNGNDSCOKOW-KRWDZBQOSA-N 2 2 381.307 3.992 20 0 GHADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000499050997 886465389 /nfs/dbraw/zinc/46/53/89/886465389.db2.gz BNJFNGNDSCOKOW-KRWDZBQOSA-N 2 2 381.307 3.992 20 0 GHADLP Cc1noc([C@@H]2CCCC[NH+]2CCCC[N@H+]2CCCC[C@H]2c2nc(C)no2)n1 ZINC000556879691 886469080 /nfs/dbraw/zinc/46/90/80/886469080.db2.gz SIQCZXSQTLNCAB-ROUUACIJSA-N 2 2 388.516 3.604 20 0 GHADLP Cc1noc([C@@H]2CCCC[NH+]2CCCC[N@@H+]2CCCC[C@H]2c2nc(C)no2)n1 ZINC000556879691 886469091 /nfs/dbraw/zinc/46/90/91/886469091.db2.gz SIQCZXSQTLNCAB-ROUUACIJSA-N 2 2 388.516 3.604 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H]1C ZINC000537615502 886634437 /nfs/dbraw/zinc/63/44/37/886634437.db2.gz WRYFCRKPZPLEPC-HNAYVOBHSA-N 2 2 391.357 3.939 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H]1C ZINC000537615502 886634442 /nfs/dbraw/zinc/63/44/42/886634442.db2.gz WRYFCRKPZPLEPC-HNAYVOBHSA-N 2 2 391.357 3.939 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H]1C ZINC000537615502 886634447 /nfs/dbraw/zinc/63/44/47/886634447.db2.gz WRYFCRKPZPLEPC-HNAYVOBHSA-N 2 2 391.357 3.939 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H]1C ZINC000537615502 886634449 /nfs/dbraw/zinc/63/44/49/886634449.db2.gz WRYFCRKPZPLEPC-HNAYVOBHSA-N 2 2 391.357 3.939 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000119115468 886655110 /nfs/dbraw/zinc/65/51/10/886655110.db2.gz KNAKSWQLROLHTF-AVRDEDQJSA-N 2 2 379.504 3.958 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000119115468 886655119 /nfs/dbraw/zinc/65/51/19/886655119.db2.gz KNAKSWQLROLHTF-AVRDEDQJSA-N 2 2 379.504 3.958 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000119412709 886667558 /nfs/dbraw/zinc/66/75/58/886667558.db2.gz FZYGKSIULBKNIM-LEWJYISDSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000119412709 886667566 /nfs/dbraw/zinc/66/75/66/886667566.db2.gz FZYGKSIULBKNIM-LEWJYISDSA-N 2 2 390.547 3.935 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCCO2 ZINC000132131189 886695722 /nfs/dbraw/zinc/69/57/22/886695722.db2.gz HEWQFRCKXZONSS-OAQYLSRUSA-N 2 2 377.488 3.986 20 0 GHADLP C[NH+](C)CCCCCCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000119381888 886998418 /nfs/dbraw/zinc/99/84/18/886998418.db2.gz PWFLLTWEXBTWCH-PMACEKPBSA-N 2 2 396.526 3.521 20 0 GHADLP C[NH+](C)CCCCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000119381888 886998423 /nfs/dbraw/zinc/99/84/23/886998423.db2.gz PWFLLTWEXBTWCH-PMACEKPBSA-N 2 2 396.526 3.521 20 0 GHADLP O[C@H](C[NH2+]Cc1ccccc1OC1CCCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000237949978 887007179 /nfs/dbraw/zinc/00/71/79/887007179.db2.gz NYAXPUMEUQIUCY-JOCHJYFZSA-N 2 2 380.532 3.517 20 0 GHADLP O[C@H](C[NH2+]Cc1ccccc1OC1CCCC1)C[N@H+]1CCc2ccccc2C1 ZINC000237949978 887007192 /nfs/dbraw/zinc/00/71/92/887007192.db2.gz NYAXPUMEUQIUCY-JOCHJYFZSA-N 2 2 380.532 3.517 20 0 GHADLP CCOc1ccc(Br)cc1C[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459321169 887329768 /nfs/dbraw/zinc/32/97/68/887329768.db2.gz AMUZYWYEWJLKKK-UHFFFAOYSA-N 2 2 378.314 3.788 20 0 GHADLP CCOc1ccc(Br)cc1C[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459321169 887329782 /nfs/dbraw/zinc/32/97/82/887329782.db2.gz AMUZYWYEWJLKKK-UHFFFAOYSA-N 2 2 378.314 3.788 20 0 GHADLP CC(C)Oc1ccc([C@H](CNC2CC[NH+](Cc3ccccn3)CC2)[NH+](C)C)cc1 ZINC000287140954 913137236 /nfs/dbraw/zinc/13/72/36/913137236.db2.gz SFWAQCUWQQXZGD-DEOSSOPVSA-N 2 2 396.579 3.726 20 0 GHADLP COc1cc(-c2nc(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)cs2)ccc1O ZINC000131237120 887521728 /nfs/dbraw/zinc/52/17/28/887521728.db2.gz LVBKNLMZNBQNJA-HNNXBMFYSA-N 2 2 398.532 3.713 20 0 GHADLP COc1cc(-c2nc(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)cs2)ccc1O ZINC000131237120 887521746 /nfs/dbraw/zinc/52/17/46/887521746.db2.gz LVBKNLMZNBQNJA-HNNXBMFYSA-N 2 2 398.532 3.713 20 0 GHADLP COc1ccc(CC[N@H+](CCc2c[nH+]cn2C)Cc2ccsc2)cc1OC ZINC000459345388 887526711 /nfs/dbraw/zinc/52/67/11/887526711.db2.gz OSHRKJVREZGABF-UHFFFAOYSA-N 2 2 385.533 3.786 20 0 GHADLP COc1ccc(CC[N@@H+](CCc2c[nH+]cn2C)Cc2ccsc2)cc1OC ZINC000459345388 887526714 /nfs/dbraw/zinc/52/67/14/887526714.db2.gz OSHRKJVREZGABF-UHFFFAOYSA-N 2 2 385.533 3.786 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000050802108 887711046 /nfs/dbraw/zinc/71/10/46/887711046.db2.gz RSODFUVUUQCUCT-UHFFFAOYSA-N 2 2 391.559 3.571 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000050803179 887711633 /nfs/dbraw/zinc/71/16/33/887711633.db2.gz VJNMWUHDNMQDIN-UHFFFAOYSA-N 2 2 398.378 3.601 20 0 GHADLP O=C1CCCN1C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000459365422 887725245 /nfs/dbraw/zinc/72/52/45/887725245.db2.gz BHQPOCDGHAYKLU-LJQANCHMSA-N 2 2 395.469 3.585 20 0 GHADLP Cc1[nH+]ccn1-c1cncc(NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)n1 ZINC001170586178 887732608 /nfs/dbraw/zinc/73/26/08/887732608.db2.gz QKJTZVWJRRYKRI-INIZCTEOSA-N 2 2 391.306 3.992 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccccc1 ZINC000062370798 887749982 /nfs/dbraw/zinc/74/99/82/887749982.db2.gz MMUWKDVLZNEEJN-LEWJYISDSA-N 2 2 385.939 3.896 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000809995376 888053118 /nfs/dbraw/zinc/05/31/18/888053118.db2.gz QEDBCDKHFAGHTQ-SFHVURJKSA-N 2 2 380.410 3.986 20 0 GHADLP O=C(NCc1c[nH+]cn1C1CCC1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001184408882 913206718 /nfs/dbraw/zinc/20/67/18/913206718.db2.gz YJSLEHAIYDEPFF-QGZVFWFLSA-N 2 2 386.927 3.790 20 0 GHADLP O=C(NCc1c[nH+]cn1C1CCC1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001184408882 913206735 /nfs/dbraw/zinc/20/67/35/913206735.db2.gz YJSLEHAIYDEPFF-QGZVFWFLSA-N 2 2 386.927 3.790 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)n2)C1 ZINC000809999522 888067245 /nfs/dbraw/zinc/06/72/45/888067245.db2.gz ODTLEZRSFGYZJH-IFXJQAMLSA-N 2 2 382.549 3.526 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)n2)C1 ZINC000809999522 888067257 /nfs/dbraw/zinc/06/72/57/888067257.db2.gz ODTLEZRSFGYZJH-IFXJQAMLSA-N 2 2 382.549 3.526 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)n2)C1 ZINC000809999522 888067268 /nfs/dbraw/zinc/06/72/68/888067268.db2.gz ODTLEZRSFGYZJH-IFXJQAMLSA-N 2 2 382.549 3.526 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)n2)C1 ZINC000809999522 888067275 /nfs/dbraw/zinc/06/72/75/888067275.db2.gz ODTLEZRSFGYZJH-IFXJQAMLSA-N 2 2 382.549 3.526 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(Br)cn3)CC2)cc1 ZINC000865809700 888590646 /nfs/dbraw/zinc/59/06/46/888590646.db2.gz CSHJBVASEFHIDC-UHFFFAOYSA-N 2 2 389.341 3.669 20 0 GHADLP CN(C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(c1ccccc1)c1ccccc1 ZINC000532720979 888725716 /nfs/dbraw/zinc/72/57/16/888725716.db2.gz LDURHFNFOHCREH-OAQYLSRUSA-N 2 2 388.515 3.837 20 0 GHADLP CN(C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(c1ccccc1)c1ccccc1 ZINC000532720979 888725730 /nfs/dbraw/zinc/72/57/30/888725730.db2.gz LDURHFNFOHCREH-OAQYLSRUSA-N 2 2 388.515 3.837 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000810730130 888828630 /nfs/dbraw/zinc/82/86/30/888828630.db2.gz ASXKVZCWKLCDBK-ABSDTBQOSA-N 2 2 399.913 3.553 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000810730130 888828649 /nfs/dbraw/zinc/82/86/49/888828649.db2.gz ASXKVZCWKLCDBK-ABSDTBQOSA-N 2 2 399.913 3.553 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000810730130 888828670 /nfs/dbraw/zinc/82/86/70/888828670.db2.gz ASXKVZCWKLCDBK-ABSDTBQOSA-N 2 2 399.913 3.553 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000810730130 888828688 /nfs/dbraw/zinc/82/86/88/888828688.db2.gz ASXKVZCWKLCDBK-ABSDTBQOSA-N 2 2 399.913 3.553 20 0 GHADLP Fc1ccc([C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c2nnc[nH]2)cc1 ZINC000866468456 888895573 /nfs/dbraw/zinc/89/55/73/888895573.db2.gz ANGWDDCPNJBVPY-JOCHJYFZSA-N 2 2 393.510 3.925 20 0 GHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000465527375 889245933 /nfs/dbraw/zinc/24/59/33/889245933.db2.gz VTVXUPYWCVBREU-VQTJNVASSA-N 2 2 392.632 3.841 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Br)ccc2OC(F)F)CC[N@@H+]1C ZINC000123913903 889443713 /nfs/dbraw/zinc/44/37/13/889443713.db2.gz YDJXLJSABDZUGN-FZMZJTMJSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Br)ccc2OC(F)F)CC[N@H+]1C ZINC000123913903 889443716 /nfs/dbraw/zinc/44/37/16/889443716.db2.gz YDJXLJSABDZUGN-FZMZJTMJSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Br)ccc2OC(F)F)CC[NH+]1C ZINC000123913903 889443724 /nfs/dbraw/zinc/44/37/24/889443724.db2.gz YDJXLJSABDZUGN-FZMZJTMJSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)ccc2OC(F)F)CC[NH+]1C ZINC000123913903 889443728 /nfs/dbraw/zinc/44/37/28/889443728.db2.gz YDJXLJSABDZUGN-FZMZJTMJSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C(=O)N(C)C)cc1 ZINC000644536609 913349850 /nfs/dbraw/zinc/34/98/50/913349850.db2.gz JQPMCQPVMINBEE-UTKZUKDTSA-N 2 2 376.504 3.757 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124332518 889594237 /nfs/dbraw/zinc/59/42/37/889594237.db2.gz OTCVTTIYOPASEO-QFIPXVFZSA-N 2 2 392.503 3.902 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124332518 889594241 /nfs/dbraw/zinc/59/42/41/889594241.db2.gz OTCVTTIYOPASEO-QFIPXVFZSA-N 2 2 392.503 3.902 20 0 GHADLP CN(C(=O)c1coc2ccccc12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124545395 889669521 /nfs/dbraw/zinc/66/95/21/889669521.db2.gz GZNNLNONJUUXLM-SFTDATJTSA-N 2 2 383.536 3.842 20 0 GHADLP CN(C(=O)c1coc2ccccc12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124545395 889669531 /nfs/dbraw/zinc/66/95/31/889669531.db2.gz GZNNLNONJUUXLM-SFTDATJTSA-N 2 2 383.536 3.842 20 0 GHADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000454755877 889691960 /nfs/dbraw/zinc/69/19/60/889691960.db2.gz JRBUYRLNSJQCHV-IBGZPJMESA-N 2 2 399.539 3.594 20 0 GHADLP CN(C(=O)c1cc2c(s1)CCC2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124806319 889771089 /nfs/dbraw/zinc/77/10/89/889771089.db2.gz XCGVZKQKSZRVAE-OALUTQOASA-N 2 2 389.609 3.646 20 0 GHADLP CN(C(=O)c1cc2c(s1)CCC2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124806319 889771093 /nfs/dbraw/zinc/77/10/93/889771093.db2.gz XCGVZKQKSZRVAE-OALUTQOASA-N 2 2 389.609 3.646 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)cc1F ZINC000124883914 889803056 /nfs/dbraw/zinc/80/30/56/889803056.db2.gz PUBYRUVLOUJPHA-SFTDATJTSA-N 2 2 393.522 3.682 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)cc1F ZINC000124883914 889803062 /nfs/dbraw/zinc/80/30/62/889803062.db2.gz PUBYRUVLOUJPHA-SFTDATJTSA-N 2 2 393.522 3.682 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000644695796 913460427 /nfs/dbraw/zinc/46/04/27/913460427.db2.gz ILXYFIVRPYVUQX-NRFANRHFSA-N 2 2 388.515 3.507 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000644695796 913460434 /nfs/dbraw/zinc/46/04/34/913460434.db2.gz ILXYFIVRPYVUQX-NRFANRHFSA-N 2 2 388.515 3.507 20 0 GHADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(N2CCCNC2=O)cc1 ZINC000812801534 890995350 /nfs/dbraw/zinc/99/53/50/890995350.db2.gz USDDQQSLWFQIQN-OAHLLOKOSA-N 2 2 381.505 3.704 20 0 GHADLP CC1CCC(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000533672729 891055559 /nfs/dbraw/zinc/05/55/59/891055559.db2.gz QXHKLBAFQUHQNN-NZUHHQEFSA-N 2 2 392.632 3.791 20 0 GHADLP CC1CCC(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000533672729 891055571 /nfs/dbraw/zinc/05/55/71/891055571.db2.gz QXHKLBAFQUHQNN-NZUHHQEFSA-N 2 2 392.632 3.791 20 0 GHADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ncc(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000246819072 891311005 /nfs/dbraw/zinc/31/10/05/891311005.db2.gz UGRKUJJBVUMTTB-APWZRJJASA-N 2 2 388.943 3.768 20 0 GHADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ncc(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000246819072 891311021 /nfs/dbraw/zinc/31/10/21/891311021.db2.gz UGRKUJJBVUMTTB-APWZRJJASA-N 2 2 388.943 3.768 20 0 GHADLP Fc1cc(F)c2c(c1)CC[C@@H](N(c1cccc[nH+]1)[C@H]1COC3(C1)CC[NH2+]CC3)C2 ZINC001170698180 891320899 /nfs/dbraw/zinc/32/08/99/891320899.db2.gz LRAVYHNTRNTLAM-RTBURBONSA-N 2 2 399.485 3.635 20 0 GHADLP COc1ccccc1N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246941527 891324864 /nfs/dbraw/zinc/32/48/64/891324864.db2.gz HSKWDIQMUUETMD-DENIHFKCSA-N 2 2 394.563 3.559 20 0 GHADLP COc1ccccc1N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246941527 891324880 /nfs/dbraw/zinc/32/48/80/891324880.db2.gz HSKWDIQMUUETMD-DENIHFKCSA-N 2 2 394.563 3.559 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000246933605 891346772 /nfs/dbraw/zinc/34/67/72/891346772.db2.gz HFRYIGPTWRUJLE-WMZHIEFXSA-N 3 2 398.620 3.855 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000246933605 891346786 /nfs/dbraw/zinc/34/67/86/891346786.db2.gz HFRYIGPTWRUJLE-WMZHIEFXSA-N 3 2 398.620 3.855 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247728275 891393246 /nfs/dbraw/zinc/39/32/46/891393246.db2.gz UYBUIPKSTBREPY-CKEIUWERSA-N 2 2 380.414 3.812 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247728275 891393255 /nfs/dbraw/zinc/39/32/55/891393255.db2.gz UYBUIPKSTBREPY-CKEIUWERSA-N 2 2 380.414 3.812 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000248072719 891409329 /nfs/dbraw/zinc/40/93/29/891409329.db2.gz MPXYUNVYKRDMBD-XMCHAPAWSA-N 2 2 394.346 3.922 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000248072719 891409334 /nfs/dbraw/zinc/40/93/34/891409334.db2.gz MPXYUNVYKRDMBD-XMCHAPAWSA-N 2 2 394.346 3.922 20 0 GHADLP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)C2)c1 ZINC000248164948 891414246 /nfs/dbraw/zinc/41/42/46/891414246.db2.gz SUSVWKZLUHJPTN-ZCVJKFOLSA-N 2 2 394.563 3.559 20 0 GHADLP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)C2)c1 ZINC000248164948 891414252 /nfs/dbraw/zinc/41/42/52/891414252.db2.gz SUSVWKZLUHJPTN-ZCVJKFOLSA-N 2 2 394.563 3.559 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cccc4ncccc34)CC2)cc1 ZINC000873131909 891479733 /nfs/dbraw/zinc/47/97/33/891479733.db2.gz ZOXMXRKIFOFAGS-UHFFFAOYSA-N 2 2 388.515 3.947 20 0 GHADLP CN(C(=O)/C=C/c1ccccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124519994 891613978 /nfs/dbraw/zinc/61/39/78/891613978.db2.gz ZFXSHTQMUKCHPD-UYEOAAJESA-N 2 2 387.543 3.635 20 0 GHADLP CN(C(=O)/C=C/c1ccccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124519994 891613984 /nfs/dbraw/zinc/61/39/84/891613984.db2.gz ZFXSHTQMUKCHPD-UYEOAAJESA-N 2 2 387.543 3.635 20 0 GHADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000261648204 892056904 /nfs/dbraw/zinc/05/69/04/892056904.db2.gz ATVHVNRZKOXVFV-PWSUYJOCSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000261648204 892056919 /nfs/dbraw/zinc/05/69/19/892056919.db2.gz ATVHVNRZKOXVFV-PWSUYJOCSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000813881406 892063340 /nfs/dbraw/zinc/06/33/40/892063340.db2.gz WLRWWHXONSEHPN-AYBZRNKSSA-N 2 2 388.487 3.870 20 0 GHADLP CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[N@@H+]3CC[C@](C)(C[NH3+])C3)ccc21 ZINC000261822846 892131800 /nfs/dbraw/zinc/13/18/00/892131800.db2.gz PNRLRGIFQCERRA-WAIKUNEKSA-N 2 2 378.520 3.812 20 0 GHADLP CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[N@H+]3CC[C@](C)(C[NH3+])C3)ccc21 ZINC000261822846 892131814 /nfs/dbraw/zinc/13/18/14/892131814.db2.gz PNRLRGIFQCERRA-WAIKUNEKSA-N 2 2 378.520 3.812 20 0 GHADLP CCSc1ccccc1[C@@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000128701833 892290720 /nfs/dbraw/zinc/29/07/20/892290720.db2.gz PNXSFYYVORXTOV-GOSISDBHSA-N 2 2 398.576 3.583 20 0 GHADLP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001137084689 892408560 /nfs/dbraw/zinc/40/85/60/892408560.db2.gz ALWHJZUHIIDFIS-VXKWHMMOSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001137084689 892408570 /nfs/dbraw/zinc/40/85/70/892408570.db2.gz ALWHJZUHIIDFIS-VXKWHMMOSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001137084689 892408577 /nfs/dbraw/zinc/40/85/77/892408577.db2.gz ALWHJZUHIIDFIS-VXKWHMMOSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001137084689 892408586 /nfs/dbraw/zinc/40/85/86/892408586.db2.gz ALWHJZUHIIDFIS-VXKWHMMOSA-N 2 2 387.543 3.561 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508711885 892831801 /nfs/dbraw/zinc/83/18/01/892831801.db2.gz PPMLHCMFLQAKFO-XUZZJYLKSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508711885 892831821 /nfs/dbraw/zinc/83/18/21/892831821.db2.gz PPMLHCMFLQAKFO-XUZZJYLKSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508711885 892831844 /nfs/dbraw/zinc/83/18/44/892831844.db2.gz PPMLHCMFLQAKFO-XUZZJYLKSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508711885 892831863 /nfs/dbraw/zinc/83/18/63/892831863.db2.gz PPMLHCMFLQAKFO-XUZZJYLKSA-N 3 2 377.576 3.935 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000455667610 892919697 /nfs/dbraw/zinc/91/96/97/892919697.db2.gz RQPIREYVDAEKBQ-DLBZAZTESA-N 2 2 398.378 3.581 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000455667610 892919712 /nfs/dbraw/zinc/91/97/12/892919712.db2.gz RQPIREYVDAEKBQ-DLBZAZTESA-N 2 2 398.378 3.581 20 0 GHADLP COc1ccc(F)c(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000645163846 913719508 /nfs/dbraw/zinc/71/95/08/913719508.db2.gz XMHLGWLCMYNHBG-UHFFFAOYSA-N 2 2 377.891 3.529 20 0 GHADLP CCOC(=O)n1nc2c(c1Nc1ccc([C@H]3CCCC[N@@H+]3C)cn1)C[NH2+]C2(C)C ZINC001170755502 893033369 /nfs/dbraw/zinc/03/33/69/893033369.db2.gz BAYCBEOHQXTWBM-MRXNPFEDSA-N 2 2 398.511 3.521 20 0 GHADLP CCOC(=O)n1nc2c(c1Nc1ccc([C@H]3CCCC[N@H+]3C)cn1)C[NH2+]C2(C)C ZINC001170755502 893033391 /nfs/dbraw/zinc/03/33/91/893033391.db2.gz BAYCBEOHQXTWBM-MRXNPFEDSA-N 2 2 398.511 3.521 20 0 GHADLP CC[N@H+](Cc1ccc(Cl)nn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000876730958 893304516 /nfs/dbraw/zinc/30/45/16/893304516.db2.gz MOPDERGWVVGPOV-UHFFFAOYSA-N 2 2 388.947 3.843 20 0 GHADLP CC[N@@H+](Cc1ccc(Cl)nn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000876730958 893304536 /nfs/dbraw/zinc/30/45/36/893304536.db2.gz MOPDERGWVVGPOV-UHFFFAOYSA-N 2 2 388.947 3.843 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000129399224 893346055 /nfs/dbraw/zinc/34/60/55/893346055.db2.gz KQAJLYZNCHXQMX-DEYYWGMASA-N 2 2 395.334 3.950 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000129399224 893346072 /nfs/dbraw/zinc/34/60/72/893346072.db2.gz KQAJLYZNCHXQMX-DEYYWGMASA-N 2 2 395.334 3.950 20 0 GHADLP Cc1nn(C)c2ncc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc12 ZINC000536674889 893512565 /nfs/dbraw/zinc/51/25/65/893512565.db2.gz FJTVQHAMMGESBC-XMMPIXPASA-N 2 2 389.547 3.765 20 0 GHADLP Cc1nn(C)c2ncc(C[N@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc12 ZINC000536674889 893512582 /nfs/dbraw/zinc/51/25/82/893512582.db2.gz FJTVQHAMMGESBC-XMMPIXPASA-N 2 2 389.547 3.765 20 0 GHADLP Cc1nn(C)c2ncc(C[NH+]3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)cc12 ZINC000536674889 893512602 /nfs/dbraw/zinc/51/26/02/893512602.db2.gz FJTVQHAMMGESBC-XMMPIXPASA-N 2 2 389.547 3.765 20 0 GHADLP Cc1nn(C)c2ncc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)cc12 ZINC000536674889 893512612 /nfs/dbraw/zinc/51/26/12/893512612.db2.gz FJTVQHAMMGESBC-XMMPIXPASA-N 2 2 389.547 3.765 20 0 GHADLP Clc1cccc(CC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000459549340 893781719 /nfs/dbraw/zinc/78/17/19/893781719.db2.gz RCJXGIVMRNSFTQ-QHCPKHFHSA-N 2 2 383.967 3.775 20 0 GHADLP Clc1cccc(CC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000459549340 893781730 /nfs/dbraw/zinc/78/17/30/893781730.db2.gz RCJXGIVMRNSFTQ-QHCPKHFHSA-N 2 2 383.967 3.775 20 0 GHADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000536845003 893921337 /nfs/dbraw/zinc/92/13/37/893921337.db2.gz IYMNGSALNJIHBH-KZNAEPCWSA-N 2 2 397.332 3.543 20 0 GHADLP CCN(CC)c1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cn1 ZINC000126854920 893961488 /nfs/dbraw/zinc/96/14/88/893961488.db2.gz MAXZTONEMQCOEA-UHFFFAOYSA-N 2 2 381.568 3.752 20 0 GHADLP CCc1oc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1C(=O)OC ZINC000563790113 894198159 /nfs/dbraw/zinc/19/81/59/894198159.db2.gz WBLJEODIKPCQEX-OALUTQOASA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1C(=O)OC ZINC000563790113 894198165 /nfs/dbraw/zinc/19/81/65/894198165.db2.gz WBLJEODIKPCQEX-OALUTQOASA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1C(=O)OC ZINC000563790113 894198169 /nfs/dbraw/zinc/19/81/69/894198169.db2.gz WBLJEODIKPCQEX-OALUTQOASA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1C(=O)OC ZINC000563790113 894198175 /nfs/dbraw/zinc/19/81/75/894198175.db2.gz WBLJEODIKPCQEX-OALUTQOASA-N 2 2 382.504 3.583 20 0 GHADLP C[C@@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878384856 894247615 /nfs/dbraw/zinc/24/76/15/894247615.db2.gz RLEJNTGLCFIEGJ-SJLPKXTDSA-N 2 2 381.549 3.544 20 0 GHADLP C[C@@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000878384856 894247630 /nfs/dbraw/zinc/24/76/30/894247630.db2.gz RLEJNTGLCFIEGJ-SJLPKXTDSA-N 2 2 381.549 3.544 20 0 GHADLP CC(C)[C@H](CCc1ccccc1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645398764 913876057 /nfs/dbraw/zinc/87/60/57/913876057.db2.gz LLMVYGRXQAKGCD-PKTZIBPZSA-N 2 2 385.596 3.518 20 0 GHADLP CC(C)[C@H](CCc1ccccc1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645398764 913876066 /nfs/dbraw/zinc/87/60/66/913876066.db2.gz LLMVYGRXQAKGCD-PKTZIBPZSA-N 2 2 385.596 3.518 20 0 GHADLP COc1cccc(C[C@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)C2CC2)c1 ZINC000537457798 895077161 /nfs/dbraw/zinc/07/71/61/895077161.db2.gz QWAHBLCHPJMWHV-UNMCSNQZSA-N 2 2 380.536 3.664 20 0 GHADLP Cc1nc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)oc1-c1ccc(Cl)cc1 ZINC000879593308 895156204 /nfs/dbraw/zinc/15/62/04/895156204.db2.gz XMPVRFYMJVDRLO-UHFFFAOYSA-N 2 2 388.943 3.515 20 0 GHADLP c1ccc(N2CCC([NH2+]CCc3cnc(SC4CCCC4)nc3)CC2)[nH+]c1 ZINC000645503402 913941739 /nfs/dbraw/zinc/94/17/39/913941739.db2.gz DBCUOKCZTIBFJP-UHFFFAOYSA-N 2 2 383.565 3.707 20 0 GHADLP CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000817287876 895442501 /nfs/dbraw/zinc/44/25/01/895442501.db2.gz MKXKSDSXHLDERT-UHFFFAOYSA-N 2 2 382.508 3.848 20 0 GHADLP CCOc1cc(C[N@H+](C)CCC[NH+](C)C)cc(Br)c1OC(F)F ZINC000565507693 895684548 /nfs/dbraw/zinc/68/45/48/895684548.db2.gz GSRBQZMNNNVZMK-UHFFFAOYSA-N 2 2 395.288 3.833 20 0 GHADLP CCOc1cc(C[N@@H+](C)CCC[NH+](C)C)cc(Br)c1OC(F)F ZINC000565507693 895684551 /nfs/dbraw/zinc/68/45/51/895684551.db2.gz GSRBQZMNNNVZMK-UHFFFAOYSA-N 2 2 395.288 3.833 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)s1 ZINC000796259319 913994654 /nfs/dbraw/zinc/99/46/54/913994654.db2.gz URGWNHXDIXJQCW-SFHVURJKSA-N 2 2 378.973 3.785 20 0 GHADLP FC(F)(F)COc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000880571654 895752203 /nfs/dbraw/zinc/75/22/03/895752203.db2.gz SFAQJWCEMPBKBN-KRWDZBQOSA-N 2 2 376.382 3.750 20 0 GHADLP O=C(C[NH2+][C@H]1CCCCC12CCCC2)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000565634492 895774892 /nfs/dbraw/zinc/77/48/92/895774892.db2.gz AHQBDAMZPBXALZ-KRWDZBQOSA-N 2 2 376.570 3.770 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc4cccc(Cl)c4o3)CC2)CC1 ZINC000817656556 895821884 /nfs/dbraw/zinc/82/18/84/895821884.db2.gz KIXCCFHGPJHEAD-UHFFFAOYSA-N 2 2 389.927 3.718 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc4cccc(Cl)c4o3)CC2)CC1 ZINC000817656556 895821896 /nfs/dbraw/zinc/82/18/96/895821896.db2.gz KIXCCFHGPJHEAD-UHFFFAOYSA-N 2 2 389.927 3.718 20 0 GHADLP O=C(Nc1cccc2c1CC[NH2+]C2)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000565998371 896038330 /nfs/dbraw/zinc/03/83/30/896038330.db2.gz GQIQDMHYHFFZKH-FCHUYYIVSA-N 2 2 387.487 3.579 20 0 GHADLP O[C@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000818945905 896286934 /nfs/dbraw/zinc/28/69/34/896286934.db2.gz TUOJUYCAOMXVAJ-LJQANCHMSA-N 2 2 375.394 3.773 20 0 GHADLP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Br)cc1Cl ZINC000818959264 896298392 /nfs/dbraw/zinc/29/83/92/896298392.db2.gz GXCALWHRQRNPHH-ZACQAIPSSA-N 2 2 387.749 3.526 20 0 GHADLP C[C@](O)(C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Br)cc1Cl ZINC000818959264 896298405 /nfs/dbraw/zinc/29/84/05/896298405.db2.gz GXCALWHRQRNPHH-ZACQAIPSSA-N 2 2 387.749 3.526 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cn2ccccc2n1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000566474148 896331444 /nfs/dbraw/zinc/33/14/44/896331444.db2.gz FKRVWAIZGFMLLB-SJORKVTESA-N 2 2 381.499 3.637 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819182526 896452196 /nfs/dbraw/zinc/45/21/96/896452196.db2.gz FUPWBJNKJGLVOG-XOBRGWDASA-N 2 2 377.891 3.723 20 0 GHADLP CN(C(=O)N[C@H](C1CCC1)C1CCCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645828883 914082068 /nfs/dbraw/zinc/08/20/68/914082068.db2.gz DMFLGMOOXOQEJI-YADHBBJMSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)N[C@H](C1CCC1)C1CCCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645828883 914082086 /nfs/dbraw/zinc/08/20/86/914082086.db2.gz DMFLGMOOXOQEJI-YADHBBJMSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)N[C@@H](C1CCC1)C1CCCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645828880 914082448 /nfs/dbraw/zinc/08/24/48/914082448.db2.gz DMFLGMOOXOQEJI-FCHUYYIVSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)N[C@@H](C1CCC1)C1CCCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645828880 914082465 /nfs/dbraw/zinc/08/24/65/914082465.db2.gz DMFLGMOOXOQEJI-FCHUYYIVSA-N 2 2 390.616 3.545 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2cccc4cccnc42)CC3)n1 ZINC001137174934 896707286 /nfs/dbraw/zinc/70/72/86/896707286.db2.gz NOFBIFFEXPNMCE-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2cccc4cccnc42)CC3)n1 ZINC001137174934 896707298 /nfs/dbraw/zinc/70/72/98/896707298.db2.gz NOFBIFFEXPNMCE-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP C[NH+](C)C1CCN(c2ccc([NH2+]CCC(=O)Nc3cccc(F)c3)cc2)CC1 ZINC000819466304 896778012 /nfs/dbraw/zinc/77/80/12/896778012.db2.gz OJKKLCMHZOXOFK-UHFFFAOYSA-N 2 2 384.499 3.797 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ncc(C4OCCO4)s3)cc2)C1 ZINC000289238522 914103467 /nfs/dbraw/zinc/10/34/67/914103467.db2.gz KWLRRKPAABJXAX-MRXNPFEDSA-N 2 2 387.549 3.710 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ncc(C4OCCO4)s3)cc2)C1 ZINC000289238522 914103473 /nfs/dbraw/zinc/10/34/73/914103473.db2.gz KWLRRKPAABJXAX-MRXNPFEDSA-N 2 2 387.549 3.710 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)CC2)cc1 ZINC000567322365 897060556 /nfs/dbraw/zinc/06/05/56/897060556.db2.gz JYGNUCVTVLRULB-TUACAJSNSA-N 2 2 399.579 3.794 20 0 GHADLP Cc1nc(-c2cc([C@@H](C)[NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)cs2)cs1 ZINC000567674494 897329479 /nfs/dbraw/zinc/32/94/79/897329479.db2.gz NKGQRECZZNNVEV-LLVKDONJSA-N 2 2 388.566 3.616 20 0 GHADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386633 897549828 /nfs/dbraw/zinc/54/98/28/897549828.db2.gz KDIGYUZJSGHBRG-XLIONFOSSA-N 2 2 378.476 3.640 20 0 GHADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000883442890 897586395 /nfs/dbraw/zinc/58/63/95/897586395.db2.gz VEZFKEZSCNCYSW-RKDXNWHRSA-N 2 2 385.122 3.954 20 0 GHADLP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)C2=O)cc1 ZINC000568304399 897725789 /nfs/dbraw/zinc/72/57/89/897725789.db2.gz MXWNHRWEBHZPNA-XPWALMASSA-N 2 2 377.532 3.521 20 0 GHADLP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)C2=O)cc1 ZINC000568304399 897725798 /nfs/dbraw/zinc/72/57/98/897725798.db2.gz MXWNHRWEBHZPNA-XPWALMASSA-N 2 2 377.532 3.521 20 0 GHADLP CN(C(=O)Nc1cc(C2CC2)ccn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000568572007 897945742 /nfs/dbraw/zinc/94/57/42/897945742.db2.gz YOXWZFRKGPOECF-NHCUHLMSSA-N 2 2 399.583 3.760 20 0 GHADLP CN(C(=O)Nc1cc(C2CC2)ccn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000568572007 897945753 /nfs/dbraw/zinc/94/57/53/897945753.db2.gz YOXWZFRKGPOECF-NHCUHLMSSA-N 2 2 399.583 3.760 20 0 GHADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000568742852 898076100 /nfs/dbraw/zinc/07/61/00/898076100.db2.gz IXLJJRFZFQVJKQ-YZGWKJHDSA-N 2 2 381.495 3.607 20 0 GHADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000568742852 898076115 /nfs/dbraw/zinc/07/61/15/898076115.db2.gz IXLJJRFZFQVJKQ-YZGWKJHDSA-N 2 2 381.495 3.607 20 0 GHADLP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000568742852 898076126 /nfs/dbraw/zinc/07/61/26/898076126.db2.gz IXLJJRFZFQVJKQ-YZGWKJHDSA-N 2 2 381.495 3.607 20 0 GHADLP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000568742852 898076139 /nfs/dbraw/zinc/07/61/39/898076139.db2.gz IXLJJRFZFQVJKQ-YZGWKJHDSA-N 2 2 381.495 3.607 20 0 GHADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2nc3ccc(F)cc3s2)c2ccccc2)CC1 ZINC000569425577 898646588 /nfs/dbraw/zinc/64/65/88/898646588.db2.gz UTJGKXOQUMAKCM-IBGZPJMESA-N 2 2 384.524 3.514 20 0 GHADLP CC[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1csc(C)c1 ZINC000646128603 914273644 /nfs/dbraw/zinc/27/36/44/914273644.db2.gz YMMGGSYPSAVSIP-HXUWFJFHSA-N 2 2 387.549 3.568 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)CCC2 ZINC000569926792 899028290 /nfs/dbraw/zinc/02/82/90/899028290.db2.gz STKCXWHJTQQIIA-FCHUYYIVSA-N 2 2 394.563 3.694 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)CCC2 ZINC000569926792 899028304 /nfs/dbraw/zinc/02/83/04/899028304.db2.gz STKCXWHJTQQIIA-FCHUYYIVSA-N 2 2 394.563 3.694 20 0 GHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000823684480 899185536 /nfs/dbraw/zinc/18/55/36/899185536.db2.gz XWVBRSWIYYAFBU-FQEVSTJZSA-N 2 2 380.492 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C[C@H]1c1ccccc1 ZINC000824208758 899455786 /nfs/dbraw/zinc/45/57/86/899455786.db2.gz HARIAVXUAWCMME-ZCNNSNEGSA-N 2 2 396.535 3.928 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CCc4c(Cl)cccc4C3)CC2)C1 ZINC001171057139 899616949 /nfs/dbraw/zinc/61/69/49/899616949.db2.gz UZKNSLAONQIXJH-IEBWSBKVSA-N 2 2 390.955 3.547 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CCc4c(Cl)cccc4C3)CC2)C1 ZINC001171057139 899616960 /nfs/dbraw/zinc/61/69/60/899616960.db2.gz UZKNSLAONQIXJH-IEBWSBKVSA-N 2 2 390.955 3.547 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000824477378 899620701 /nfs/dbraw/zinc/62/07/01/899620701.db2.gz QXAVCBFOLWIAMX-AWEZNQCLSA-N 2 2 376.888 3.625 20 0 GHADLP COC(=O)CCc1c(C)[nH]c(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC001136923253 899767041 /nfs/dbraw/zinc/76/70/41/899767041.db2.gz KPBPINMFWOTDEC-UHFFFAOYSA-N 2 2 380.492 3.555 20 0 GHADLP COC(=O)CCc1c(C)[nH]c(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC001136923253 899767051 /nfs/dbraw/zinc/76/70/51/899767051.db2.gz KPBPINMFWOTDEC-UHFFFAOYSA-N 2 2 380.492 3.555 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC001136935622 899807865 /nfs/dbraw/zinc/80/78/65/899807865.db2.gz LVRSAJAVYICWLU-OAQYLSRUSA-N 2 2 382.495 3.653 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC001136935622 899807869 /nfs/dbraw/zinc/80/78/69/899807869.db2.gz LVRSAJAVYICWLU-OAQYLSRUSA-N 2 2 382.495 3.653 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC001136935622 899807877 /nfs/dbraw/zinc/80/78/77/899807877.db2.gz LVRSAJAVYICWLU-OAQYLSRUSA-N 2 2 382.495 3.653 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC001136935622 899807880 /nfs/dbraw/zinc/80/78/80/899807880.db2.gz LVRSAJAVYICWLU-OAQYLSRUSA-N 2 2 382.495 3.653 20 0 GHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cc(C(N)=O)cs2)cc1 ZINC000289886364 914403471 /nfs/dbraw/zinc/40/34/71/914403471.db2.gz SJNVEGQGUVAFHO-UHFFFAOYSA-N 2 2 398.532 3.535 20 0 GHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cc(C(N)=O)cs2)cc1 ZINC000289886364 914403477 /nfs/dbraw/zinc/40/34/77/914403477.db2.gz SJNVEGQGUVAFHO-UHFFFAOYSA-N 2 2 398.532 3.535 20 0 GHADLP C[C@H]1C[C@H](C)C[NH+](CC[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)C1 ZINC001171098521 900436488 /nfs/dbraw/zinc/43/64/88/900436488.db2.gz KFFAPTMUPKLAJS-QGZVKYPTSA-N 2 2 383.502 3.584 20 0 GHADLP FC(F)(F)Oc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1Br ZINC000573885980 900687497 /nfs/dbraw/zinc/68/74/97/900687497.db2.gz AZWYQSAGQZOJTP-SNVBAGLBSA-N 2 2 390.203 3.718 20 0 GHADLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cccnc3Cl)CC2)c1C ZINC000091708643 901453742 /nfs/dbraw/zinc/45/37/42/901453742.db2.gz MYUHBKMWRQWYPX-UHFFFAOYSA-N 2 2 388.943 3.852 20 0 GHADLP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cccnc3Cl)CC2)c1C ZINC000091708643 901453766 /nfs/dbraw/zinc/45/37/66/901453766.db2.gz MYUHBKMWRQWYPX-UHFFFAOYSA-N 2 2 388.943 3.852 20 0 GHADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)cc2)c1C ZINC000576083427 901663837 /nfs/dbraw/zinc/66/38/37/901663837.db2.gz VBLKXARHWKQSOM-FQEVSTJZSA-N 2 2 389.503 3.735 20 0 GHADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)cc2)c1C ZINC000576083427 901663843 /nfs/dbraw/zinc/66/38/43/901663843.db2.gz VBLKXARHWKQSOM-FQEVSTJZSA-N 2 2 389.503 3.735 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)s1 ZINC000796321231 914564033 /nfs/dbraw/zinc/56/40/33/914564033.db2.gz FGAUPLADMGXLJX-OAQYLSRUSA-N 2 2 397.544 3.607 20 0 GHADLP C[C@@H](CC(=O)OC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1)n1cc[nH+]c1 ZINC000845467201 902183558 /nfs/dbraw/zinc/18/35/58/902183558.db2.gz FIHFUYLBXDYVJO-JKSUJKDBSA-N 2 2 377.435 3.568 20 0 GHADLP C[C@@H](CC(=O)OC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)n1cc[nH+]c1 ZINC000845467201 902183565 /nfs/dbraw/zinc/18/35/65/902183565.db2.gz FIHFUYLBXDYVJO-JKSUJKDBSA-N 2 2 377.435 3.568 20 0 GHADLP CC1(COC(=O)Cc2cn3c([nH+]2)CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000845485924 902196218 /nfs/dbraw/zinc/19/62/18/902196218.db2.gz YWPOALJWFGGMLN-UHFFFAOYSA-N 2 2 381.520 3.607 20 0 GHADLP CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000576910658 902351336 /nfs/dbraw/zinc/35/13/36/902351336.db2.gz DZNJGFXQBNVIAG-IPMKNSEASA-N 2 2 390.572 3.538 20 0 GHADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000576910658 902351352 /nfs/dbraw/zinc/35/13/52/902351352.db2.gz DZNJGFXQBNVIAG-IPMKNSEASA-N 2 2 390.572 3.538 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000601067174 903291840 /nfs/dbraw/zinc/29/18/40/903291840.db2.gz OAGGFBAATJCUPV-SVMVAKDDSA-N 2 2 380.536 3.665 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000601067174 903291847 /nfs/dbraw/zinc/29/18/47/903291847.db2.gz OAGGFBAATJCUPV-SVMVAKDDSA-N 2 2 380.536 3.665 20 0 GHADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001147250913 903733474 /nfs/dbraw/zinc/73/34/74/903733474.db2.gz RDVZZDYHIZJQED-UHFFFAOYSA-N 2 2 392.503 3.684 20 0 GHADLP CC(C)C[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)n1cc[nH+]c1 ZINC001148643353 904135083 /nfs/dbraw/zinc/13/50/83/904135083.db2.gz OBCNVCNPUHKQLV-ISKFKSNPSA-N 2 2 394.563 3.985 20 0 GHADLP CC(C)C[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)n1cc[nH+]c1 ZINC001148643353 904135090 /nfs/dbraw/zinc/13/50/90/904135090.db2.gz OBCNVCNPUHKQLV-ISKFKSNPSA-N 2 2 394.563 3.985 20 0 GHADLP COCCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000152239249 904248064 /nfs/dbraw/zinc/24/80/64/904248064.db2.gz FOEKBSOWCBNAQS-QGZVFWFLSA-N 2 2 381.476 3.757 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171371301 904377073 /nfs/dbraw/zinc/37/70/73/904377073.db2.gz OOFBYPWOLMZZQZ-SIKLNZKXSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171371301 904377082 /nfs/dbraw/zinc/37/70/82/904377082.db2.gz OOFBYPWOLMZZQZ-SIKLNZKXSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171371301 904377093 /nfs/dbraw/zinc/37/70/93/904377093.db2.gz OOFBYPWOLMZZQZ-SIKLNZKXSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171371301 904377105 /nfs/dbraw/zinc/37/71/05/904377105.db2.gz OOFBYPWOLMZZQZ-SIKLNZKXSA-N 2 2 378.507 3.645 20 0 GHADLP C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC1 ZINC000889553636 904639819 /nfs/dbraw/zinc/63/98/19/904639819.db2.gz DBCCZNUTWXWMPT-MXVIHJGJSA-N 2 2 387.572 3.568 20 0 GHADLP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)Cc1cccc2[nH+]ccn21 ZINC000579647856 904769758 /nfs/dbraw/zinc/76/97/58/904769758.db2.gz VLGSIRBREKIIOA-UHFFFAOYSA-N 2 2 376.426 3.917 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)C[C@@H]1C(C)(C)C ZINC001171612585 904873963 /nfs/dbraw/zinc/87/39/63/904873963.db2.gz KRYTZOMIOJWKDE-IAGOWNOFSA-N 2 2 376.545 3.555 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)C[C@@H]1C(C)(C)C ZINC001171612585 904873980 /nfs/dbraw/zinc/87/39/80/904873980.db2.gz KRYTZOMIOJWKDE-IAGOWNOFSA-N 2 2 376.545 3.555 20 0 GHADLP Cc1cc(N2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)cc[nH+]1 ZINC001171986659 905245360 /nfs/dbraw/zinc/24/53/60/905245360.db2.gz KIGAXWKWUIYCLE-QHCPKHFHSA-N 3 2 378.564 3.955 20 0 GHADLP Cc1cc(N2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)cc[nH+]1 ZINC001171986659 905245369 /nfs/dbraw/zinc/24/53/69/905245369.db2.gz KIGAXWKWUIYCLE-QHCPKHFHSA-N 3 2 378.564 3.955 20 0 GHADLP COCCC[NH+]1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172064716 905328608 /nfs/dbraw/zinc/32/86/08/905328608.db2.gz JFRQPLNILNSPOB-BKFWDETESA-N 3 2 385.596 3.663 20 0 GHADLP COCCC[NH+]1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172064716 905328629 /nfs/dbraw/zinc/32/86/29/905328629.db2.gz JFRQPLNILNSPOB-BKFWDETESA-N 3 2 385.596 3.663 20 0 GHADLP COCCC[NH+]1CCC(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC001172244339 905443257 /nfs/dbraw/zinc/44/32/57/905443257.db2.gz OYXYAMCYACWSHD-OAQYLSRUSA-N 2 2 379.976 3.567 20 0 GHADLP COCCC[NH+]1CCC([NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC001172244339 905443269 /nfs/dbraw/zinc/44/32/69/905443269.db2.gz OYXYAMCYACWSHD-OAQYLSRUSA-N 2 2 379.976 3.567 20 0 GHADLP CCC[N@H+]([C@@H](C)C(=O)Nc1ccccc1C)C1CC[NH+](CCCOC)CC1 ZINC001172253460 905448151 /nfs/dbraw/zinc/44/81/51/905448151.db2.gz QCYHCSJYGZNIAL-IBGZPJMESA-N 2 2 375.557 3.535 20 0 GHADLP CCC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C)C1CC[NH+](CCCOC)CC1 ZINC001172253460 905448161 /nfs/dbraw/zinc/44/81/61/905448161.db2.gz QCYHCSJYGZNIAL-IBGZPJMESA-N 2 2 375.557 3.535 20 0 GHADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C[C@H]1C ZINC001172372604 905484250 /nfs/dbraw/zinc/48/42/50/905484250.db2.gz YILRIOJMBIIVIS-IZBJGVDFSA-N 2 2 379.589 3.875 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)CC[C@H]2C1 ZINC001172519468 905614237 /nfs/dbraw/zinc/61/42/37/905614237.db2.gz CBLRYRWGYSSNGM-MYDTUXCISA-N 2 2 395.591 3.924 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)CC[C@H]2C1 ZINC001172519468 905614241 /nfs/dbraw/zinc/61/42/41/905614241.db2.gz CBLRYRWGYSSNGM-MYDTUXCISA-N 2 2 395.591 3.924 20 0 GHADLP COC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001172593255 905657113 /nfs/dbraw/zinc/65/71/13/905657113.db2.gz ULBSQCMXVQQASC-LPHOPBHVSA-N 2 2 398.469 3.991 20 0 GHADLP CC(C)OC(=O)CC[C@@H](C)[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001172757936 905802391 /nfs/dbraw/zinc/80/23/91/905802391.db2.gz KFCJSVDUCJIXNP-GOSISDBHSA-N 2 2 399.535 3.785 20 0 GHADLP CC(C)OC(=O)CC[C@@H](C)[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001172757936 905802407 /nfs/dbraw/zinc/80/24/07/905802407.db2.gz KFCJSVDUCJIXNP-GOSISDBHSA-N 2 2 399.535 3.785 20 0 GHADLP CC(C)OC(=O)CC[C@@H](C)[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001172757936 905802419 /nfs/dbraw/zinc/80/24/19/905802419.db2.gz KFCJSVDUCJIXNP-GOSISDBHSA-N 2 2 399.535 3.785 20 0 GHADLP CC(C)OC(=O)CC[C@@H](C)[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001172757936 905802440 /nfs/dbraw/zinc/80/24/40/905802440.db2.gz KFCJSVDUCJIXNP-GOSISDBHSA-N 2 2 399.535 3.785 20 0 GHADLP COC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001172803311 905876002 /nfs/dbraw/zinc/87/60/02/905876002.db2.gz NTONUBRVQZEHPA-UYAOXDASSA-N 2 2 376.516 3.844 20 0 GHADLP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001172803311 905876011 /nfs/dbraw/zinc/87/60/11/905876011.db2.gz NTONUBRVQZEHPA-UYAOXDASSA-N 2 2 376.516 3.844 20 0 GHADLP CO[C@H]1CCC[C@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)C1 ZINC001172926486 905994876 /nfs/dbraw/zinc/99/48/76/905994876.db2.gz BHMXPUKQGUTUEY-BVSLBCMMSA-N 2 2 392.503 3.675 20 0 GHADLP C[NH+]1CCC([N@H+](C2CCCC2)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001173007749 906081889 /nfs/dbraw/zinc/08/18/89/906081889.db2.gz ZNOWYANDEADNBJ-UHFFFAOYSA-N 2 2 387.543 3.769 20 0 GHADLP C[NH+]1CCC([N@@H+](C2CCCC2)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001173007749 906081899 /nfs/dbraw/zinc/08/18/99/906081899.db2.gz ZNOWYANDEADNBJ-UHFFFAOYSA-N 2 2 387.543 3.769 20 0 GHADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@H+](C1CCC3(CCCCC3)CC1)C2 ZINC001173117051 906204803 /nfs/dbraw/zinc/20/48/03/906204803.db2.gz XNHUUPPXEXUWSC-UHFFFAOYSA-N 2 2 395.551 3.587 20 0 GHADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@@H+](C1CCC3(CCCCC3)CC1)C2 ZINC001173117051 906204821 /nfs/dbraw/zinc/20/48/21/906204821.db2.gz XNHUUPPXEXUWSC-UHFFFAOYSA-N 2 2 395.551 3.587 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc2ccccc2n1 ZINC000178664192 906368935 /nfs/dbraw/zinc/36/89/35/906368935.db2.gz YSKKUMWCKRHABF-LJQANCHMSA-N 2 2 391.515 3.797 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3cccc(OC)c3)CC2)cc1 ZINC001173720800 906671034 /nfs/dbraw/zinc/67/10/34/906671034.db2.gz NSLWJKKAMIIEEY-GOSISDBHSA-N 2 2 396.531 3.667 20 0 GHADLP Cc1ccccc1[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000629601888 906893835 /nfs/dbraw/zinc/89/38/35/906893835.db2.gz NNFQFXMNNMCQHX-QFIPXVFZSA-N 2 2 377.488 3.536 20 0 GHADLP Cc1ccccc1[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000629601888 906893851 /nfs/dbraw/zinc/89/38/51/906893851.db2.gz NNFQFXMNNMCQHX-QFIPXVFZSA-N 2 2 377.488 3.536 20 0 GHADLP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc(OC)c1OC ZINC000181593288 907034531 /nfs/dbraw/zinc/03/45/31/907034531.db2.gz AXPADJIIWPIQIN-DLBZAZTESA-N 2 2 399.535 3.984 20 0 GHADLP CC(C)(C)OC(=O)NCc1cc(Nc2ccc(C[NH+]3CCOCC3)cc2)cc[nH+]1 ZINC001174448057 907053743 /nfs/dbraw/zinc/05/37/43/907053743.db2.gz NXHUSKDTJPYFTQ-UHFFFAOYSA-N 2 2 398.507 3.682 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000191995556 907358665 /nfs/dbraw/zinc/35/86/65/907358665.db2.gz PIVNQUUYWSHTMA-SFHVURJKSA-N 2 2 384.524 3.870 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000191995556 907358681 /nfs/dbraw/zinc/35/86/81/907358681.db2.gz PIVNQUUYWSHTMA-SFHVURJKSA-N 2 2 384.524 3.870 20 0 GHADLP c1ccc(C[N@H+]2CC=C(Nc3cccc(OCC[NH+]4CCOCC4)c3)CC2)cc1 ZINC001175506294 907593655 /nfs/dbraw/zinc/59/36/55/907593655.db2.gz SXVZFVHYUGVATP-UHFFFAOYSA-N 2 2 393.531 3.599 20 0 GHADLP c1ccc(C[N@@H+]2CC=C(Nc3cccc(OCC[NH+]4CCOCC4)c3)CC2)cc1 ZINC001175506294 907593675 /nfs/dbraw/zinc/59/36/75/907593675.db2.gz SXVZFVHYUGVATP-UHFFFAOYSA-N 2 2 393.531 3.599 20 0 GHADLP OC1CCN(c2ccc(Nc3ccc(OCC[NH+]4CCCCC4)cc3)c[nH+]2)CC1 ZINC001175796919 907724132 /nfs/dbraw/zinc/72/41/32/907724132.db2.gz UFHWEYLNKVQUHN-UHFFFAOYSA-N 2 2 396.535 3.651 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185729747 907825021 /nfs/dbraw/zinc/82/50/21/907825021.db2.gz USKFWOMHOWZTNL-LSDHHAIUSA-N 2 2 388.537 3.584 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185729747 907825038 /nfs/dbraw/zinc/82/50/38/907825038.db2.gz USKFWOMHOWZTNL-LSDHHAIUSA-N 2 2 388.537 3.584 20 0 GHADLP Cn1c[nH+]cc1C1CC[NH+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC001176978003 908345062 /nfs/dbraw/zinc/34/50/62/908345062.db2.gz PQEXRRZIKFQBCF-QHCPKHFHSA-N 2 2 398.526 3.786 20 0 GHADLP C[C@@](O)(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1Br ZINC001178575863 909130645 /nfs/dbraw/zinc/13/06/45/909130645.db2.gz FFPJIXGNIZGATN-QGZVFWFLSA-N 2 2 392.322 3.694 20 0 GHADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCc1ccccc1C[NH+]1CCCCC1 ZINC000635145302 909158975 /nfs/dbraw/zinc/15/89/75/909158975.db2.gz VIRGZFOSLCZKAX-SFHVURJKSA-N 2 2 394.441 3.679 20 0 GHADLP c1c[nH]c(C2CC[NH+](CCCCCC[NH+]3CCC(c4[nH]cc[nH+]4)CC3)CC2)n1 ZINC000266710030 909269694 /nfs/dbraw/zinc/26/96/94/909269694.db2.gz FGBKUNHEJXJHEY-UHFFFAOYSA-N 3 2 384.572 3.752 20 0 GHADLP CCOC(=O)c1nc(-c2ccccc2)oc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266715757 909272254 /nfs/dbraw/zinc/27/22/54/909272254.db2.gz GIDQOMKHDNISFJ-UHFFFAOYSA-N 2 2 380.448 3.621 20 0 GHADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000635747023 909338496 /nfs/dbraw/zinc/33/84/96/909338496.db2.gz OIEZZOPISIAXNI-KXBFYZLASA-N 2 2 392.906 3.608 20 0 GHADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000635747023 909338514 /nfs/dbraw/zinc/33/85/14/909338514.db2.gz OIEZZOPISIAXNI-KXBFYZLASA-N 2 2 392.906 3.608 20 0 GHADLP C[N@H+](C[C@@H]1CCN(c2ccccc2)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000637983974 910021188 /nfs/dbraw/zinc/02/11/88/910021188.db2.gz WIGHKQMYXLLYBF-NRFANRHFSA-N 2 2 378.564 3.547 20 0 GHADLP C[N@@H+](C[C@@H]1CCN(c2ccccc2)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000637983974 910021198 /nfs/dbraw/zinc/02/11/98/910021198.db2.gz WIGHKQMYXLLYBF-NRFANRHFSA-N 2 2 378.564 3.547 20 0 GHADLP COc1ccc(N(C(C)=O)c2nc(C[NH2+]CCCn3cc[nH+]c3C)cs2)cc1 ZINC000638387915 910142931 /nfs/dbraw/zinc/14/29/31/910142931.db2.gz YYSRFCRXKIMHDX-UHFFFAOYSA-N 2 2 399.520 3.521 20 0 GHADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270340018 910527407 /nfs/dbraw/zinc/52/74/07/910527407.db2.gz NODNHDDUTYNWDL-SFHVURJKSA-N 2 2 393.535 3.701 20 0 GHADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270340018 910527422 /nfs/dbraw/zinc/52/74/22/910527422.db2.gz NODNHDDUTYNWDL-SFHVURJKSA-N 2 2 393.535 3.701 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000271466983 910914323 /nfs/dbraw/zinc/91/43/23/910914323.db2.gz GWZIORHXGXATJQ-DVECYGJZSA-N 2 2 395.547 3.965 20 0 GHADLP Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000641902913 911584708 /nfs/dbraw/zinc/58/47/08/911584708.db2.gz NSEPGBSHKYDKFZ-HSZRJFAPSA-N 2 2 393.531 3.603 20 0 GHADLP Cc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000641902913 911584714 /nfs/dbraw/zinc/58/47/14/911584714.db2.gz NSEPGBSHKYDKFZ-HSZRJFAPSA-N 2 2 393.531 3.603 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000774415031 911722648 /nfs/dbraw/zinc/72/26/48/911722648.db2.gz XJGWZQNIXYBLLS-PBHICJAKSA-N 2 2 376.932 3.521 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000642225390 911884817 /nfs/dbraw/zinc/88/48/17/911884817.db2.gz UWBHOYGSZHYXJP-QFIPXVFZSA-N 2 2 376.504 3.555 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001182872884 912092897 /nfs/dbraw/zinc/09/28/97/912092897.db2.gz HDYJOIDYFAAHBQ-HOTGVXAUSA-N 2 2 396.373 3.876 20 0 GHADLP C[NH+](C)Cc1cnc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)s1 ZINC000796336021 914881369 /nfs/dbraw/zinc/88/13/69/914881369.db2.gz ZJOBAYCJUQBQIO-UHFFFAOYSA-N 3 2 387.597 3.595 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000291211513 915039529 /nfs/dbraw/zinc/03/95/29/915039529.db2.gz BIAKBWYUZVAMRH-OAQYLSRUSA-N 2 2 393.535 3.979 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ncc(Br)cc1F ZINC000647343940 915165146 /nfs/dbraw/zinc/16/51/46/915165146.db2.gz GBKFOSYTBRIIEJ-LXZKKBNFSA-N 2 2 392.316 3.979 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ncc(Br)cc1F ZINC000647343940 915165154 /nfs/dbraw/zinc/16/51/54/915165154.db2.gz GBKFOSYTBRIIEJ-LXZKKBNFSA-N 2 2 392.316 3.979 20 0 GHADLP C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)CC[C@H]21 ZINC000291494062 915214018 /nfs/dbraw/zinc/21/40/18/915214018.db2.gz MUJCXZYHNRWVME-GHTZIAJQSA-N 2 2 393.535 3.834 20 0 GHADLP C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)CC[C@H]21 ZINC000291494062 915214035 /nfs/dbraw/zinc/21/40/35/915214035.db2.gz MUJCXZYHNRWVME-GHTZIAJQSA-N 2 2 393.535 3.834 20 0 GHADLP CC[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000647940231 915443786 /nfs/dbraw/zinc/44/37/86/915443786.db2.gz PYTNTRMUHAIZBY-QGCDCVKKSA-N 2 2 385.939 3.605 20 0 GHADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000647940231 915443792 /nfs/dbraw/zinc/44/37/92/915443792.db2.gz PYTNTRMUHAIZBY-QGCDCVKKSA-N 2 2 385.939 3.605 20 0 GHADLP CCCOc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c(OCCC)c1 ZINC000648071644 915507340 /nfs/dbraw/zinc/50/73/40/915507340.db2.gz MRRGSMQXUCPKAW-UHFFFAOYSA-N 2 2 376.541 3.561 20 0 GHADLP CCCOc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c(OCCC)c1 ZINC000648071644 915507354 /nfs/dbraw/zinc/50/73/54/915507354.db2.gz MRRGSMQXUCPKAW-UHFFFAOYSA-N 2 2 376.541 3.561 20 0 GHADLP CC[N@H+](CCc1cncc(C)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000649561594 916233005 /nfs/dbraw/zinc/23/30/05/916233005.db2.gz CIEIQQIKGBPMIL-UHFFFAOYSA-N 2 2 382.556 3.540 20 0 GHADLP CC[N@@H+](CCc1cncc(C)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000649561594 916233018 /nfs/dbraw/zinc/23/30/18/916233018.db2.gz CIEIQQIKGBPMIL-UHFFFAOYSA-N 2 2 382.556 3.540 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OCc1cccnc1 ZINC000293775874 916376049 /nfs/dbraw/zinc/37/60/49/916376049.db2.gz YWZJKWNERJNWIZ-QHCPKHFHSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OCc1cccnc1 ZINC000293775874 916376065 /nfs/dbraw/zinc/37/60/65/916376065.db2.gz YWZJKWNERJNWIZ-QHCPKHFHSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1OCc1cccnc1 ZINC000293775874 916376077 /nfs/dbraw/zinc/37/60/77/916376077.db2.gz YWZJKWNERJNWIZ-QHCPKHFHSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1OCc1cccnc1 ZINC000293775874 916376086 /nfs/dbraw/zinc/37/60/86/916376086.db2.gz YWZJKWNERJNWIZ-QHCPKHFHSA-N 2 2 381.520 3.587 20 0 GHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)Cc3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000651114116 917440703 /nfs/dbraw/zinc/44/07/03/917440703.db2.gz OJMPQUWWFQTSFJ-OALUTQOASA-N 2 2 394.563 3.556 20 0 GHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651118595 917445743 /nfs/dbraw/zinc/44/57/43/917445743.db2.gz YITKANPJGNROLP-OALUTQOASA-N 2 2 394.563 3.556 20 0 GHADLP c1ccc(CCCC[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC001190643102 917471278 /nfs/dbraw/zinc/47/12/78/917471278.db2.gz IUSOZBDCGVEQOR-XMMPIXPASA-N 2 2 392.591 3.939 20 0 GHADLP c1ccc(CCCC[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC001190643102 917471288 /nfs/dbraw/zinc/47/12/88/917471288.db2.gz IUSOZBDCGVEQOR-XMMPIXPASA-N 2 2 392.591 3.939 20 0 GHADLP Brc1ncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000296063688 917812353 /nfs/dbraw/zinc/81/23/53/917812353.db2.gz RJEUIUJBXUGLFQ-UHFFFAOYSA-N 2 2 381.343 3.818 20 0 GHADLP C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297352230 919262822 /nfs/dbraw/zinc/26/28/22/919262822.db2.gz FHDHUZBUYZTPEK-INIZCTEOSA-N 2 2 386.459 3.563 20 0 GHADLP CN(c1ccc([NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1)C1CC[NH+](C)CC1 ZINC000297871422 919903965 /nfs/dbraw/zinc/90/39/65/919903965.db2.gz PUJIYWAPOBPLFE-UHFFFAOYSA-N 3 2 379.552 3.693 20 0 GHADLP Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)C2=O)cc1 ZINC000800406519 920039591 /nfs/dbraw/zinc/03/95/91/920039591.db2.gz ZGZSVSRGCHCCQG-WIYYLYMNSA-N 2 2 378.520 3.513 20 0 GHADLP Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)C2=O)cc1 ZINC000800406519 920039607 /nfs/dbraw/zinc/03/96/07/920039607.db2.gz ZGZSVSRGCHCCQG-WIYYLYMNSA-N 2 2 378.520 3.513 20 0 GHADLP CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1 ZINC000900686379 920518364 /nfs/dbraw/zinc/51/83/64/920518364.db2.gz IHONRIAIGBFZOP-UHFFFAOYSA-N 2 2 397.567 3.579 20 0 GHADLP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1 ZINC000900686379 920518390 /nfs/dbraw/zinc/51/83/90/920518390.db2.gz IHONRIAIGBFZOP-UHFFFAOYSA-N 2 2 397.567 3.579 20 0 GHADLP c1nc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)sc1C1OCCO1 ZINC000368018844 922427806 /nfs/dbraw/zinc/42/78/06/922427806.db2.gz QQJOGPNSISDDIG-IPMKNSEASA-N 2 2 399.560 3.579 20 0 GHADLP c1nc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)sc1C1OCCO1 ZINC000368018844 922427814 /nfs/dbraw/zinc/42/78/14/922427814.db2.gz QQJOGPNSISDDIG-IPMKNSEASA-N 2 2 399.560 3.579 20 0 GHADLP CC(C)(C)OC(=O)NCCC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000902964794 922652374 /nfs/dbraw/zinc/65/23/74/922652374.db2.gz YINPRBFJBHZWJJ-RBUKOAKNSA-N 2 2 384.524 3.834 20 0 GHADLP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903050045 922729484 /nfs/dbraw/zinc/72/94/84/922729484.db2.gz ONORMSXWBQHOSI-LJQANCHMSA-N 3 2 375.520 3.830 20 0 GHADLP OCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1Br ZINC000903148049 922808684 /nfs/dbraw/zinc/80/86/84/922808684.db2.gz PJQHBIPDWGBBBQ-RFXRPKLXSA-N 2 2 379.342 3.620 20 0 GHADLP OCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1Br ZINC000903148049 922808692 /nfs/dbraw/zinc/80/86/92/922808692.db2.gz PJQHBIPDWGBBBQ-RFXRPKLXSA-N 2 2 379.342 3.620 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903424374 923014886 /nfs/dbraw/zinc/01/48/86/923014886.db2.gz SVXFSAVMKKNXTB-INIZCTEOSA-N 2 2 396.516 3.627 20 0 GHADLP CCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H](C)c1cc2ccccc2o1 ZINC000369375102 923310140 /nfs/dbraw/zinc/31/01/40/923310140.db2.gz VWOSYTGJIFVQJV-HKUYNNGSSA-N 2 2 398.551 3.694 20 0 GHADLP CCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H](C)c1cc2ccccc2o1 ZINC000369375102 923310154 /nfs/dbraw/zinc/31/01/54/923310154.db2.gz VWOSYTGJIFVQJV-HKUYNNGSSA-N 2 2 398.551 3.694 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1)c1ccccc1Cl ZINC000903955760 923435660 /nfs/dbraw/zinc/43/56/60/923435660.db2.gz BCLNIZHYLZBRSZ-HNNXBMFYSA-N 2 2 393.865 3.927 20 0 GHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000370218299 923965329 /nfs/dbraw/zinc/96/53/29/923965329.db2.gz DSANTKLGTSVOHR-UHFFFAOYSA-N 2 2 395.551 3.731 20 0 GHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000370218299 923965336 /nfs/dbraw/zinc/96/53/36/923965336.db2.gz DSANTKLGTSVOHR-UHFFFAOYSA-N 2 2 395.551 3.731 20 0 GHADLP CN(C(=O)C[C@H]1CCc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677289757 924314806 /nfs/dbraw/zinc/31/48/06/924314806.db2.gz DHKZQMBMAMHSLE-AGILITTLSA-N 2 2 397.607 3.902 20 0 GHADLP CN(C(=O)C[C@H]1CCc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677289757 924314808 /nfs/dbraw/zinc/31/48/08/924314808.db2.gz DHKZQMBMAMHSLE-AGILITTLSA-N 2 2 397.607 3.902 20 0 GHADLP COc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1OCc1cccnc1 ZINC000371070676 924415084 /nfs/dbraw/zinc/41/50/84/924415084.db2.gz WRPZFRPPGPWYDQ-FQEVSTJZSA-N 2 2 392.503 3.841 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C2)CC1 ZINC000371104180 924429125 /nfs/dbraw/zinc/42/91/25/924429125.db2.gz NEMYXEJVHJMDKY-IBGZPJMESA-N 2 2 388.943 3.595 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C2)CC1 ZINC000371104180 924429132 /nfs/dbraw/zinc/42/91/32/924429132.db2.gz NEMYXEJVHJMDKY-IBGZPJMESA-N 2 2 388.943 3.595 20 0 GHADLP O=C1CCCN1C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000371105691 924429812 /nfs/dbraw/zinc/42/98/12/924429812.db2.gz FZOQNLMJLHROMI-QYZOEREBSA-N 2 2 395.469 3.585 20 0 GHADLP O=C1CCCN1C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000371105691 924429816 /nfs/dbraw/zinc/42/98/16/924429816.db2.gz FZOQNLMJLHROMI-QYZOEREBSA-N 2 2 395.469 3.585 20 0 GHADLP CC[N@H+](CCCC1CC[NH+]([C@H](C)c2nc(C)no2)CC1)[C@H](C)c1nc(C)no1 ZINC000677992591 924572831 /nfs/dbraw/zinc/57/28/31/924572831.db2.gz MAVHCFYOYQZOIT-HUUCEWRRSA-N 2 2 390.532 3.706 20 0 GHADLP CC[N@@H+](CCCC1CC[NH+]([C@H](C)c2nc(C)no2)CC1)[C@H](C)c1nc(C)no1 ZINC000677992591 924572836 /nfs/dbraw/zinc/57/28/36/924572836.db2.gz MAVHCFYOYQZOIT-HUUCEWRRSA-N 2 2 390.532 3.706 20 0 GHADLP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000678767452 924915772 /nfs/dbraw/zinc/91/57/72/924915772.db2.gz KEVIXHBWJJPAMA-YADARESESA-N 2 2 380.532 3.811 20 0 GHADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@]3(CO)CCCN(Cc4ccccc4)C3)CC2)C1 ZINC000679042408 925006891 /nfs/dbraw/zinc/00/68/91/925006891.db2.gz BFXGGLQFGTZLGY-ZODMCCGTSA-N 2 2 399.623 3.646 20 0 GHADLP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372034530 925085764 /nfs/dbraw/zinc/08/57/64/925085764.db2.gz YDCMWDYASYJYAZ-UHFFFAOYSA-N 2 2 397.523 3.686 20 0 GHADLP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000372034530 925085772 /nfs/dbraw/zinc/08/57/72/925085772.db2.gz YDCMWDYASYJYAZ-UHFFFAOYSA-N 2 2 397.523 3.686 20 0 GHADLP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000410282574 925497488 /nfs/dbraw/zinc/49/74/88/925497488.db2.gz OXENCTRMJLMRDO-PZJWPPBQSA-N 2 2 380.536 3.618 20 0 GHADLP CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000410282574 925497494 /nfs/dbraw/zinc/49/74/94/925497494.db2.gz OXENCTRMJLMRDO-PZJWPPBQSA-N 2 2 380.536 3.618 20 0 GHADLP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3nc(C(F)(F)F)cs3)C2)nc(C)[nH+]1 ZINC000681053751 925708826 /nfs/dbraw/zinc/70/88/26/925708826.db2.gz AJFNDESENRPLON-YPMHNXCESA-N 2 2 385.459 3.888 20 0 GHADLP CN(C(=O)N[C@@H](CC1CCC1)c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218492 925764944 /nfs/dbraw/zinc/76/49/44/925764944.db2.gz FNCLNYZMGIUENZ-GOTSBHOMSA-N 2 2 398.595 3.728 20 0 GHADLP CN(C(=O)N[C@@H](CC1CCC1)c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218492 925764950 /nfs/dbraw/zinc/76/49/50/925764950.db2.gz FNCLNYZMGIUENZ-GOTSBHOMSA-N 2 2 398.595 3.728 20 0 GHADLP CC[N@H+](C)C1CC[NH+](Cc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001137447917 925819576 /nfs/dbraw/zinc/81/95/76/925819576.db2.gz HZINMNATYUBATO-UHFFFAOYSA-N 2 2 387.568 3.896 20 0 GHADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001137447917 925819582 /nfs/dbraw/zinc/81/95/82/925819582.db2.gz HZINMNATYUBATO-UHFFFAOYSA-N 2 2 387.568 3.896 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)o1 ZINC000373486048 926183022 /nfs/dbraw/zinc/18/30/22/926183022.db2.gz QFNSNEPYANFTSS-UHFFFAOYSA-N 2 2 382.430 3.873 20 0 GHADLP Cc1cc(-c2noc([C@H](C)[NH2+]Cc3ccc(OCC[NH+](C)C)cc3)n2)ccc1F ZINC000682998794 926322885 /nfs/dbraw/zinc/32/28/85/926322885.db2.gz KVSXYNCAELHNKN-INIZCTEOSA-N 2 2 398.482 3.975 20 0 GHADLP Fc1cccc([C@@H]2C[C@H]2[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000411723590 926692060 /nfs/dbraw/zinc/69/20/60/926692060.db2.gz XAZNAUTXPGDXPG-TZRRMPRUSA-N 2 2 379.523 3.574 20 0 GHADLP Fc1cccc([C@@H]2C[C@H]2[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000411723590 926692072 /nfs/dbraw/zinc/69/20/72/926692072.db2.gz XAZNAUTXPGDXPG-TZRRMPRUSA-N 2 2 379.523 3.574 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2cccnc2Cl)c(C)c1 ZINC000749605926 927210910 /nfs/dbraw/zinc/21/09/10/927210910.db2.gz PWMIEBNEKJCYTL-QFBILLFUSA-N 2 2 397.910 3.906 20 0 GHADLP Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000374804535 927540567 /nfs/dbraw/zinc/54/05/67/927540567.db2.gz ZYJNIUSBQWVEHW-NRFANRHFSA-N 2 2 397.498 3.597 20 0 GHADLP Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCC[N@H+]1CCCn1cc[nH+]c1C ZINC000374804535 927540599 /nfs/dbraw/zinc/54/05/99/927540599.db2.gz ZYJNIUSBQWVEHW-NRFANRHFSA-N 2 2 397.498 3.597 20 0 GHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467129634 928734994 /nfs/dbraw/zinc/73/49/94/928734994.db2.gz PAUHKUVHDABJRM-UHFFFAOYSA-N 2 2 381.307 3.555 20 0 GHADLP CCOC(=O)c1cnn(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1C(F)F ZINC000752806305 929032309 /nfs/dbraw/zinc/03/23/09/929032309.db2.gz YPEKBTJQLQRZJZ-UHFFFAOYSA-N 2 2 398.498 3.543 20 0 GHADLP CCS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c1 ZINC000467411139 929045230 /nfs/dbraw/zinc/04/52/30/929045230.db2.gz MRXUCSCXUCATTL-PXNSSMCTSA-N 2 2 378.582 3.613 20 0 GHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000544349668 929081288 /nfs/dbraw/zinc/08/12/88/929081288.db2.gz JRCLTKKMXNLEGD-GOSISDBHSA-N 2 2 386.908 3.825 20 0 GHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000544349668 929081301 /nfs/dbraw/zinc/08/13/01/929081301.db2.gz JRCLTKKMXNLEGD-GOSISDBHSA-N 2 2 386.908 3.825 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000469519645 929961223 /nfs/dbraw/zinc/96/12/23/929961223.db2.gz WPQFAVLRSSNKPT-WOJBJXKFSA-N 2 2 380.536 3.907 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000469519645 929961226 /nfs/dbraw/zinc/96/12/26/929961226.db2.gz WPQFAVLRSSNKPT-WOJBJXKFSA-N 2 2 380.536 3.907 20 0 GHADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000470135029 930397981 /nfs/dbraw/zinc/39/79/81/930397981.db2.gz ULXIPRGQXGQEKW-LVCYWYKZSA-N 2 2 375.557 3.601 20 0 GHADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000470135029 930397987 /nfs/dbraw/zinc/39/79/87/930397987.db2.gz ULXIPRGQXGQEKW-LVCYWYKZSA-N 2 2 375.557 3.601 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccc(SC(F)F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000781632678 930917430 /nfs/dbraw/zinc/91/74/30/930917430.db2.gz VPPKMUGDMQYNGN-HXUWFJFHSA-N 2 2 378.488 3.728 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccc(SC(F)F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000781632678 930917439 /nfs/dbraw/zinc/91/74/39/930917439.db2.gz VPPKMUGDMQYNGN-HXUWFJFHSA-N 2 2 378.488 3.728 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000547326009 930918593 /nfs/dbraw/zinc/91/85/93/930918593.db2.gz SLYIJRFKBNLFTI-MRXNPFEDSA-N 2 2 388.508 3.818 20 0 GHADLP COc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1OC(F)F ZINC000470991033 931081237 /nfs/dbraw/zinc/08/12/37/931081237.db2.gz CSHKYKWQPIUWCF-KDURUIRLSA-N 2 2 388.458 3.860 20 0 GHADLP COc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1OC(F)F ZINC000470991033 931081245 /nfs/dbraw/zinc/08/12/45/931081245.db2.gz CSHKYKWQPIUWCF-KDURUIRLSA-N 2 2 388.458 3.860 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1OC(F)F ZINC000470991033 931081254 /nfs/dbraw/zinc/08/12/54/931081254.db2.gz CSHKYKWQPIUWCF-KDURUIRLSA-N 2 2 388.458 3.860 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1OC(F)F ZINC000470991033 931081264 /nfs/dbraw/zinc/08/12/64/931081264.db2.gz CSHKYKWQPIUWCF-KDURUIRLSA-N 2 2 388.458 3.860 20 0 GHADLP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000557217776 931277991 /nfs/dbraw/zinc/27/79/91/931277991.db2.gz URVVFRUMUVHXAT-SFHVURJKSA-N 2 2 383.467 3.664 20 0 GHADLP c1ccc(COC2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000557354880 931369518 /nfs/dbraw/zinc/36/95/18/931369518.db2.gz NUMZIQGCXRTPIJ-RUZDIDTESA-N 2 2 394.559 3.959 20 0 GHADLP c1ccc(COC2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000557354880 931369531 /nfs/dbraw/zinc/36/95/31/931369531.db2.gz NUMZIQGCXRTPIJ-RUZDIDTESA-N 2 2 394.559 3.959 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000925177342 931691044 /nfs/dbraw/zinc/69/10/44/931691044.db2.gz CBTNORRZZXVYCV-KVZIAJEVSA-N 2 2 384.524 3.597 20 0 GHADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+](Cc2ccccc2)[C@H]2CCCC2(C)C)C1 ZINC000783992745 931743194 /nfs/dbraw/zinc/74/31/94/931743194.db2.gz ZVINQPSEXOOSCB-CTNGQTDRSA-N 2 2 380.536 3.774 20 0 GHADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+](Cc2ccccc2)[C@H]2CCCC2(C)C)C1 ZINC000783992745 931743197 /nfs/dbraw/zinc/74/31/97/931743197.db2.gz ZVINQPSEXOOSCB-CTNGQTDRSA-N 2 2 380.536 3.774 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N[C@@H](C)c3ccccc3)C2)s1 ZINC000558397726 931979084 /nfs/dbraw/zinc/97/90/84/931979084.db2.gz UITSLQMGTVMUKF-OALUTQOASA-N 2 2 385.577 3.688 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N[C@@H](C)c3ccccc3)C2)s1 ZINC000558397726 931979088 /nfs/dbraw/zinc/97/90/88/931979088.db2.gz UITSLQMGTVMUKF-OALUTQOASA-N 2 2 385.577 3.688 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N[C@@H](C)c3ccccc3)C2)s1 ZINC000558397726 931979094 /nfs/dbraw/zinc/97/90/94/931979094.db2.gz UITSLQMGTVMUKF-OALUTQOASA-N 2 2 385.577 3.688 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N[C@@H](C)c3ccccc3)C2)s1 ZINC000558397726 931979096 /nfs/dbraw/zinc/97/90/96/931979096.db2.gz UITSLQMGTVMUKF-OALUTQOASA-N 2 2 385.577 3.688 20 0 GHADLP CN(C(=O)N[C@H]1C[C@@H]1c1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000559157314 932470400 /nfs/dbraw/zinc/47/04/00/932470400.db2.gz BJQCEYZBFCPFQN-ACESQOTJSA-N 2 2 398.595 3.521 20 0 GHADLP CN(C(=O)N[C@H]1C[C@@H]1c1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000559157314 932470404 /nfs/dbraw/zinc/47/04/04/932470404.db2.gz BJQCEYZBFCPFQN-ACESQOTJSA-N 2 2 398.595 3.521 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1=O ZINC000559342258 932613919 /nfs/dbraw/zinc/61/39/19/932613919.db2.gz LNRMJGOXSOYABW-YWZLYKJASA-N 2 2 398.507 3.915 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)[nH+]c2)CC1 ZINC000559817661 932876158 /nfs/dbraw/zinc/87/61/58/932876158.db2.gz KZVKSMBMTKLQKX-NZQKXSOJSA-N 3 2 393.579 3.859 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)[nH+]c2)CC1 ZINC000559817661 932876165 /nfs/dbraw/zinc/87/61/65/932876165.db2.gz KZVKSMBMTKLQKX-NZQKXSOJSA-N 3 2 393.579 3.859 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)c(C)c1 ZINC000560546008 933331709 /nfs/dbraw/zinc/33/17/09/933331709.db2.gz PAOFCCOQXYAKOV-LAUBAEHRSA-N 2 2 390.487 3.923 20 0 GHADLP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1c1ccccc1Cl ZINC000560901397 933669271 /nfs/dbraw/zinc/66/92/71/933669271.db2.gz YFGDAILJOHKLOU-IBGZPJMESA-N 2 2 375.944 3.832 20 0 GHADLP CN1CC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC001117697081 933986191 /nfs/dbraw/zinc/98/61/91/933986191.db2.gz GYHNZOVSWJRQTJ-DNQXCXABSA-N 2 2 396.554 3.896 20 0 GHADLP CCc1ccc([C@@H](C[NH2+]C2CCN(c3cnccn3)CC2)[NH+](CC)CC)cc1 ZINC000561278997 934013785 /nfs/dbraw/zinc/01/37/85/934013785.db2.gz XCVACSTUBAISPO-JOCHJYFZSA-N 2 2 381.568 3.681 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCC([NH2+]C2CCC2)CC1 ZINC000930554180 934098537 /nfs/dbraw/zinc/09/85/37/934098537.db2.gz FGTWBSFSHVVBDX-UHFFFAOYSA-N 2 2 391.519 3.740 20 0 GHADLP CN(CC(C)(C)C[NH+](C)C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000930559521 934103466 /nfs/dbraw/zinc/10/34/66/934103466.db2.gz VDGVIHOBCYJTQQ-UHFFFAOYSA-N 2 2 381.524 3.653 20 0 GHADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1OC ZINC000561541306 934255859 /nfs/dbraw/zinc/25/58/59/934255859.db2.gz FOOFTZWCUUNWMY-FXAWDEMLSA-N 2 2 384.520 3.855 20 0 GHADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1OC ZINC000561541306 934255867 /nfs/dbraw/zinc/25/58/67/934255867.db2.gz FOOFTZWCUUNWMY-FXAWDEMLSA-N 2 2 384.520 3.855 20 0 GHADLP CC[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000561866456 934518950 /nfs/dbraw/zinc/51/89/50/934518950.db2.gz YRPUBFHUIYWVKL-NRFANRHFSA-N 2 2 387.955 3.877 20 0 GHADLP CC[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000561866456 934518957 /nfs/dbraw/zinc/51/89/57/934518957.db2.gz YRPUBFHUIYWVKL-NRFANRHFSA-N 2 2 387.955 3.877 20 0 GHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000562247912 934784999 /nfs/dbraw/zinc/78/49/99/934784999.db2.gz MCLUOUZHOPTSJM-QFIPXVFZSA-N 2 2 395.551 3.528 20 0 GHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000562247912 934785002 /nfs/dbraw/zinc/78/50/02/934785002.db2.gz MCLUOUZHOPTSJM-QFIPXVFZSA-N 2 2 395.551 3.528 20 0 GHADLP FC(F)(F)[C@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](C(F)(F)F)C3)c2)C1 ZINC000828529458 935653572 /nfs/dbraw/zinc/65/35/72/935653572.db2.gz NBGXMUQLUOEJAQ-GJZGRUSLSA-N 2 2 381.364 3.850 20 0 GHADLP FC(F)(F)[C@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](C(F)(F)F)C3)c2)C1 ZINC000828529458 935653575 /nfs/dbraw/zinc/65/35/75/935653575.db2.gz NBGXMUQLUOEJAQ-GJZGRUSLSA-N 2 2 381.364 3.850 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C[C@H]1C ZINC000468394495 1015662222 /nfs/dbraw/zinc/66/22/22/1015662222.db2.gz ZHHURYRAQZOPAT-DYESRHJHSA-N 2 2 384.568 3.861 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C[C@H]1C ZINC000468394495 1015662226 /nfs/dbraw/zinc/66/22/26/1015662226.db2.gz ZHHURYRAQZOPAT-DYESRHJHSA-N 2 2 384.568 3.861 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C[C@H]1C ZINC000468394495 1015662229 /nfs/dbraw/zinc/66/22/29/1015662229.db2.gz ZHHURYRAQZOPAT-DYESRHJHSA-N 2 2 384.568 3.861 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C[C@H]1C ZINC000468394495 1015662232 /nfs/dbraw/zinc/66/22/32/1015662232.db2.gz ZHHURYRAQZOPAT-DYESRHJHSA-N 2 2 384.568 3.861 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC2(Cc3ccccc3)CCC(F)(F)CC2)cc1 ZINC001220942934 1032200781 /nfs/dbraw/zinc/20/07/81/1032200781.db2.gz MBVVSVRKDMHOQL-IBGZPJMESA-N 2 2 387.474 3.566 20 0 GHADLP Cn1c[nH+]cc1-c1cccc(C(=O)N[C@H](c2ccc(F)cc2)C2CC[NH2+]CC2)c1 ZINC001221041988 1032250397 /nfs/dbraw/zinc/25/03/97/1032250397.db2.gz CBRIZNWJICGLEI-JOCHJYFZSA-N 2 2 392.478 3.697 20 0 GHADLP C[C@H]1CCCCN1c1nc2ccccc2nc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155063446 1032399216 /nfs/dbraw/zinc/39/92/16/1032399216.db2.gz BAPXAHJCKAIFRM-INIZCTEOSA-N 2 2 376.508 3.661 20 0 GHADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155063924 1032399287 /nfs/dbraw/zinc/39/92/87/1032399287.db2.gz KEAPFMXZPRNMID-UHFFFAOYSA-N 3 2 398.580 3.803 20 0 GHADLP COc1ccc2c(c1)[nH+]c(N[C@H]1COCCC13C[NH2+]C3)cc2-c1ccccc1 ZINC001155472308 1032555053 /nfs/dbraw/zinc/55/50/53/1032555053.db2.gz QVNZJDFLEHADJH-NRFANRHFSA-N 2 2 375.472 3.701 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000558566557 1017230748 /nfs/dbraw/zinc/23/07/48/1017230748.db2.gz PWUOANPXUDGLKZ-FUHWJXTLSA-N 2 2 384.467 3.740 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000558566557 1017230755 /nfs/dbraw/zinc/23/07/55/1017230755.db2.gz PWUOANPXUDGLKZ-FUHWJXTLSA-N 2 2 384.467 3.740 20 0 GHADLP C[NH+](C)C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000558899398 1017312066 /nfs/dbraw/zinc/31/20/66/1017312066.db2.gz BNSRIZYBJPEHEO-LJQANCHMSA-N 2 2 397.910 3.628 20 0 GHADLP C[NH+](C)C[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000562854433 1018711883 /nfs/dbraw/zinc/71/18/83/1018711883.db2.gz RJFRMVXEXLLNEY-HXUWFJFHSA-N 2 2 396.922 3.660 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC001204430141 1032863531 /nfs/dbraw/zinc/86/35/31/1032863531.db2.gz HZUUDRLWLIUQPE-LJQANCHMSA-N 2 2 386.458 3.908 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC001204430141 1032863548 /nfs/dbraw/zinc/86/35/48/1032863548.db2.gz HZUUDRLWLIUQPE-LJQANCHMSA-N 2 2 386.458 3.908 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC001204430141 1032863564 /nfs/dbraw/zinc/86/35/64/1032863564.db2.gz HZUUDRLWLIUQPE-LJQANCHMSA-N 2 2 386.458 3.908 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC001204430141 1032863578 /nfs/dbraw/zinc/86/35/78/1032863578.db2.gz HZUUDRLWLIUQPE-LJQANCHMSA-N 2 2 386.458 3.908 20 0 GHADLP COCOc1ccc(OC)cc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000092587788 1021085419 /nfs/dbraw/zinc/08/54/19/1021085419.db2.gz IAZQISHZKOJIIN-LJQANCHMSA-N 2 2 376.541 3.622 20 0 GHADLP COCOc1ccc(OC)cc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000092587788 1021085424 /nfs/dbraw/zinc/08/54/24/1021085424.db2.gz IAZQISHZKOJIIN-LJQANCHMSA-N 2 2 376.541 3.622 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)s1 ZINC000796292932 1021127924 /nfs/dbraw/zinc/12/79/24/1021127924.db2.gz IKWABVUTOOEJQN-KRWDZBQOSA-N 2 2 396.601 3.768 20 0 GHADLP CCCc1ccc(CCCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000648780178 1021156154 /nfs/dbraw/zinc/15/61/54/1021156154.db2.gz WYLOMJREAOFAOG-HSZRJFAPSA-N 2 2 385.596 3.589 20 0 GHADLP CCCc1ccc(CCCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000648780178 1021156157 /nfs/dbraw/zinc/15/61/57/1021156157.db2.gz WYLOMJREAOFAOG-HSZRJFAPSA-N 2 2 385.596 3.589 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1nc(Br)cs1 ZINC000834548644 1021265406 /nfs/dbraw/zinc/26/54/06/1021265406.db2.gz PUKNJOCMSGLVRB-LBPRGKRZSA-N 2 2 384.343 3.697 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2c(Cl)ncnc2N(C)C)CC1 ZINC000801521453 1021402503 /nfs/dbraw/zinc/40/25/03/1021402503.db2.gz OGLYYHGICIIFPI-MRXNPFEDSA-N 2 2 379.980 3.673 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2c(Cl)ncnc2N(C)C)CC1 ZINC000801521453 1021402506 /nfs/dbraw/zinc/40/25/06/1021402506.db2.gz OGLYYHGICIIFPI-MRXNPFEDSA-N 2 2 379.980 3.673 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000834808125 1021502664 /nfs/dbraw/zinc/50/26/64/1021502664.db2.gz XFEKJUGXSQTGTM-QMMLZNLJSA-N 2 2 396.535 3.997 20 0 GHADLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902790961 1021540735 /nfs/dbraw/zinc/54/07/35/1021540735.db2.gz SYHLWACMZSYXRA-YKSBVNFPSA-N 3 2 389.547 3.512 20 0 GHADLP Cc1ccc(Cl)nc1C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001140444381 1021728991 /nfs/dbraw/zinc/72/89/91/1021728991.db2.gz HOVRKWRAWZXMEE-QGZVFWFLSA-N 2 2 389.927 3.892 20 0 GHADLP Cc1ccc(Cl)nc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001140444381 1021729008 /nfs/dbraw/zinc/72/90/08/1021729008.db2.gz HOVRKWRAWZXMEE-QGZVFWFLSA-N 2 2 389.927 3.892 20 0 GHADLP Fc1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1Cl ZINC001140561844 1021973992 /nfs/dbraw/zinc/97/39/92/1021973992.db2.gz ZDQQTPNFEWWSMM-UHFFFAOYSA-N 2 2 378.875 3.939 20 0 GHADLP Fc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1Cl ZINC001140561844 1021974000 /nfs/dbraw/zinc/97/40/00/1021974000.db2.gz ZDQQTPNFEWWSMM-UHFFFAOYSA-N 2 2 378.875 3.939 20 0 GHADLP COc1cccc(Cl)c1C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001140729835 1022381084 /nfs/dbraw/zinc/38/10/84/1022381084.db2.gz SVDXJFOCNVFSCL-UHFFFAOYSA-N 2 2 388.943 3.713 20 0 GHADLP COc1cccc(Cl)c1C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001140729835 1022381101 /nfs/dbraw/zinc/38/11/01/1022381101.db2.gz SVDXJFOCNVFSCL-UHFFFAOYSA-N 2 2 388.943 3.713 20 0 GHADLP COc1cc(O)cc(OC)c1C[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001140773185 1022492377 /nfs/dbraw/zinc/49/23/77/1022492377.db2.gz OJHAEEGMUYPCBC-KUIWHINRSA-N 2 2 398.547 3.804 20 0 GHADLP COc1cc(O)cc(OC)c1C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001140773185 1022492389 /nfs/dbraw/zinc/49/23/89/1022492389.db2.gz OJHAEEGMUYPCBC-KUIWHINRSA-N 2 2 398.547 3.804 20 0 GHADLP COc1cc(O)cc(OC)c1C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001140773185 1022492400 /nfs/dbraw/zinc/49/24/00/1022492400.db2.gz OJHAEEGMUYPCBC-KUIWHINRSA-N 2 2 398.547 3.804 20 0 GHADLP COc1cc(O)cc(OC)c1C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001140773185 1022492410 /nfs/dbraw/zinc/49/24/10/1022492410.db2.gz OJHAEEGMUYPCBC-KUIWHINRSA-N 2 2 398.547 3.804 20 0 GHADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2C)CC1 ZINC001140963815 1023023378 /nfs/dbraw/zinc/02/33/78/1023023378.db2.gz IMDOVUDNGSXMTB-GOSISDBHSA-N 2 2 386.458 3.969 20 0 GHADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2C)CC1 ZINC001140963815 1023023394 /nfs/dbraw/zinc/02/33/94/1023023394.db2.gz IMDOVUDNGSXMTB-GOSISDBHSA-N 2 2 386.458 3.969 20 0 GHADLP CCCCC[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755054362 1023047850 /nfs/dbraw/zinc/04/78/50/1023047850.db2.gz SALHMTPQYCLOHA-SESVDKBCSA-N 2 2 380.621 3.934 20 0 GHADLP CCCCC[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755054362 1023047856 /nfs/dbraw/zinc/04/78/56/1023047856.db2.gz SALHMTPQYCLOHA-SESVDKBCSA-N 2 2 380.621 3.934 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cccc(OC(F)F)c2)CC3)cn1 ZINC001204829178 1033109763 /nfs/dbraw/zinc/10/97/63/1033109763.db2.gz GIAKSKGTCKBNIB-UHFFFAOYSA-N 2 2 390.478 3.652 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cccc(OC(F)F)c2)CC3)cn1 ZINC001204829178 1033109775 /nfs/dbraw/zinc/10/97/75/1033109775.db2.gz GIAKSKGTCKBNIB-UHFFFAOYSA-N 2 2 390.478 3.652 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000755787246 1023378003 /nfs/dbraw/zinc/37/80/03/1023378003.db2.gz CLVUMEXSOGWMBC-LJQANCHMSA-N 2 2 387.487 3.796 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000755787246 1023378009 /nfs/dbraw/zinc/37/80/09/1023378009.db2.gz CLVUMEXSOGWMBC-LJQANCHMSA-N 2 2 387.487 3.796 20 0 GHADLP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)CC12CCCCC2 ZINC001141158361 1023982753 /nfs/dbraw/zinc/98/27/53/1023982753.db2.gz XPEYXFLDDMVGKI-HXUWFJFHSA-N 2 2 389.971 3.781 20 0 GHADLP C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)CC12CCCCC2 ZINC001141158361 1023982759 /nfs/dbraw/zinc/98/27/59/1023982759.db2.gz XPEYXFLDDMVGKI-HXUWFJFHSA-N 2 2 389.971 3.781 20 0 GHADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC12CCCCC2 ZINC001141158361 1023982764 /nfs/dbraw/zinc/98/27/64/1023982764.db2.gz XPEYXFLDDMVGKI-HXUWFJFHSA-N 2 2 389.971 3.781 20 0 GHADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC12CCCCC2 ZINC001141158361 1023982767 /nfs/dbraw/zinc/98/27/67/1023982767.db2.gz XPEYXFLDDMVGKI-HXUWFJFHSA-N 2 2 389.971 3.781 20 0 GHADLP COc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1SC(F)(F)F ZINC000830638143 1024030707 /nfs/dbraw/zinc/03/07/07/1024030707.db2.gz SVTXWZYUFKKNPM-UHFFFAOYSA-N 2 2 390.471 3.604 20 0 GHADLP COc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1SC(F)(F)F ZINC000830638143 1024030726 /nfs/dbraw/zinc/03/07/26/1024030726.db2.gz SVTXWZYUFKKNPM-UHFFFAOYSA-N 2 2 390.471 3.604 20 0 GHADLP c1nc2n(c1C[NH+]1CCCC1)CC[N@@H+](Cc1csc(-c3ccccc3)n1)CC2 ZINC001141211904 1024145157 /nfs/dbraw/zinc/14/51/57/1024145157.db2.gz QIDKZTQCSXXKEJ-UHFFFAOYSA-N 2 2 393.560 3.661 20 0 GHADLP c1nc2n(c1C[NH+]1CCCC1)CC[N@H+](Cc1csc(-c3ccccc3)n1)CC2 ZINC001141211904 1024145167 /nfs/dbraw/zinc/14/51/67/1024145167.db2.gz QIDKZTQCSXXKEJ-UHFFFAOYSA-N 2 2 393.560 3.661 20 0 GHADLP Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4cccc(-n5cc[nH+]c5)c4)CC[N@@H+]3C2)cc1 ZINC001141241211 1024244111 /nfs/dbraw/zinc/24/41/11/1024244111.db2.gz GALAXUGISGCLPQ-VWNXMTODSA-N 2 2 388.515 3.518 20 0 GHADLP Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4cccc(-n5cc[nH+]c5)c4)CC[N@H+]3C2)cc1 ZINC001141241211 1024244125 /nfs/dbraw/zinc/24/41/25/1024244125.db2.gz GALAXUGISGCLPQ-VWNXMTODSA-N 2 2 388.515 3.518 20 0 GHADLP CC(C)[C@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCCC1 ZINC001141292961 1024424699 /nfs/dbraw/zinc/42/46/99/1024424699.db2.gz DTZGQIOZZWVAJB-OAQYLSRUSA-N 2 2 391.987 3.885 20 0 GHADLP CC(C)[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCCC1 ZINC001141292961 1024424710 /nfs/dbraw/zinc/42/47/10/1024424710.db2.gz DTZGQIOZZWVAJB-OAQYLSRUSA-N 2 2 391.987 3.885 20 0 GHADLP COc1cccc(F)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001138385057 1024755134 /nfs/dbraw/zinc/75/51/34/1024755134.db2.gz ZNPBWIGVXMSDMD-LQBOVUBWSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(F)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001138385057 1024755145 /nfs/dbraw/zinc/75/51/45/1024755145.db2.gz ZNPBWIGVXMSDMD-LQBOVUBWSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(F)c1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001138385057 1024755158 /nfs/dbraw/zinc/75/51/58/1024755158.db2.gz ZNPBWIGVXMSDMD-LQBOVUBWSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(F)c1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001138385057 1024755172 /nfs/dbraw/zinc/75/51/72/1024755172.db2.gz ZNPBWIGVXMSDMD-LQBOVUBWSA-N 2 2 383.511 3.962 20 0 GHADLP CCOC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)Cc2cn(CC)nc21 ZINC001138548908 1024995926 /nfs/dbraw/zinc/99/59/26/1024995926.db2.gz KAYDUPUWPOQIJV-HXUWFJFHSA-N 2 2 379.508 3.533 20 0 GHADLP CCOC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)Cc2cn(CC)nc21 ZINC001138548908 1024995937 /nfs/dbraw/zinc/99/59/37/1024995937.db2.gz KAYDUPUWPOQIJV-HXUWFJFHSA-N 2 2 379.508 3.533 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)cc1 ZINC001138551776 1025006022 /nfs/dbraw/zinc/00/60/22/1025006022.db2.gz MKCITIOHHXDLGM-GOSISDBHSA-N 2 2 386.297 3.587 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](n3cc(Br)cn3)C2)cc1 ZINC001138551776 1025006038 /nfs/dbraw/zinc/00/60/38/1025006038.db2.gz MKCITIOHHXDLGM-GOSISDBHSA-N 2 2 386.297 3.587 20 0 GHADLP CCN(CC)c1ncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001138802051 1025389426 /nfs/dbraw/zinc/38/94/26/1025389426.db2.gz AZNUPCLSHZPNJK-UXHICEINSA-N 2 2 384.593 3.943 20 0 GHADLP CCN(CC)c1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001138802051 1025389439 /nfs/dbraw/zinc/38/94/39/1025389439.db2.gz AZNUPCLSHZPNJK-UXHICEINSA-N 2 2 384.593 3.943 20 0 GHADLP CCN(CC)c1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001138802051 1025389450 /nfs/dbraw/zinc/38/94/50/1025389450.db2.gz AZNUPCLSHZPNJK-UXHICEINSA-N 2 2 384.593 3.943 20 0 GHADLP CCN(CC)c1ncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001138802051 1025389467 /nfs/dbraw/zinc/38/94/67/1025389467.db2.gz AZNUPCLSHZPNJK-UXHICEINSA-N 2 2 384.593 3.943 20 0 GHADLP COC(=O)c1ccc2cc[nH+]c(NC3(c4cccc(OC)c4)CC[NH2+]CC3)c2c1 ZINC001161994613 1025528062 /nfs/dbraw/zinc/52/80/62/1025528062.db2.gz DLVBQZDTSUFHRV-UHFFFAOYSA-N 2 2 391.471 3.721 20 0 GHADLP CC(C)C[C@H](Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1)C(=O)OCc1ccccc1 ZINC001162079894 1025592039 /nfs/dbraw/zinc/59/20/39/1025592039.db2.gz KFEXJRDRGMPDCC-GGAORHGYSA-N 2 2 395.547 3.790 20 0 GHADLP CC(C)C[C@H](Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1)C(=O)OCc1ccccc1 ZINC001162079894 1025592050 /nfs/dbraw/zinc/59/20/50/1025592050.db2.gz KFEXJRDRGMPDCC-GGAORHGYSA-N 2 2 395.547 3.790 20 0 GHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1NCCCP(CCC[NH3+])c1ccccc1 ZINC001162468859 1025759834 /nfs/dbraw/zinc/75/98/34/1025759834.db2.gz FLSXWQQMSHTFBS-ZHACJKMWSA-N 2 2 399.475 3.534 20 0 GHADLP COC(=O)c1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001139060245 1025853633 /nfs/dbraw/zinc/85/36/33/1025853633.db2.gz QXIDXWWGEGROCY-QHCPKHFHSA-N 2 2 394.515 3.643 20 0 GHADLP COC(=O)c1cccc([C@@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001139060245 1025853653 /nfs/dbraw/zinc/85/36/53/1025853653.db2.gz QXIDXWWGEGROCY-QHCPKHFHSA-N 2 2 394.515 3.643 20 0 GHADLP COC(=O)[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](c2ccccc2)C1 ZINC001139361597 1026236401 /nfs/dbraw/zinc/23/64/01/1026236401.db2.gz UWNQBQPNIOZMTO-RBBKRZOGSA-N 2 2 375.472 3.999 20 0 GHADLP COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](c2ccccc2)C1 ZINC001139361597 1026236411 /nfs/dbraw/zinc/23/64/11/1026236411.db2.gz UWNQBQPNIOZMTO-RBBKRZOGSA-N 2 2 375.472 3.999 20 0 GHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[N@@H+](C)C(C)(C)C2)n1 ZINC001163629559 1026258912 /nfs/dbraw/zinc/25/89/12/1026258912.db2.gz JDYSAIDHJNUKGU-UHFFFAOYSA-N 2 2 395.576 3.950 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[NH+]1CCCC[C@H]1C ZINC001141694279 1026271388 /nfs/dbraw/zinc/27/13/88/1026271388.db2.gz IFCPUARPRYTWPG-DBXWQHBBSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[NH+]1CCCC[C@H]1C ZINC001141694279 1026271397 /nfs/dbraw/zinc/27/13/97/1026271397.db2.gz IFCPUARPRYTWPG-DBXWQHBBSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)[N@@H+]1CCCC[C@H]1C ZINC001141694279 1026271406 /nfs/dbraw/zinc/27/14/06/1026271406.db2.gz IFCPUARPRYTWPG-DBXWQHBBSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)[N@H+]1CCCC[C@H]1C ZINC001141694279 1026271418 /nfs/dbraw/zinc/27/14/18/1026271418.db2.gz IFCPUARPRYTWPG-DBXWQHBBSA-N 2 2 375.532 3.559 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC001141706538 1026303599 /nfs/dbraw/zinc/30/35/99/1026303599.db2.gz KNOCVHWZWHUMSL-QGZVFWFLSA-N 2 2 398.429 3.736 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CCN(c3cc(C)[nH+]c(C4CCC4)n3)C2)ccn1 ZINC001163787411 1026315398 /nfs/dbraw/zinc/31/53/98/1026315398.db2.gz BOTPULMRCJNSPP-FQEVSTJZSA-N 2 2 381.524 3.557 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CCN(c3cc(C)[nH+]c(C4CCC4)n3)C2)ccn1 ZINC001163787411 1026315415 /nfs/dbraw/zinc/31/54/15/1026315415.db2.gz BOTPULMRCJNSPP-FQEVSTJZSA-N 2 2 381.524 3.557 20 0 GHADLP CC(C)[N@H+](Cc1ccc(F)c(I)c1)C1CC[NH+](C)CC1 ZINC001139513762 1026366580 /nfs/dbraw/zinc/36/65/80/1026366580.db2.gz ATVYSVOTGSNHHR-UHFFFAOYSA-N 2 2 390.284 3.735 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(F)c(I)c1)C1CC[NH+](C)CC1 ZINC001139513762 1026366592 /nfs/dbraw/zinc/36/65/92/1026366592.db2.gz ATVYSVOTGSNHHR-UHFFFAOYSA-N 2 2 390.284 3.735 20 0 GHADLP Cc1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)nc2ccc(Br)cc12 ZINC001164213385 1026455510 /nfs/dbraw/zinc/45/55/10/1026455510.db2.gz UKDLLCIISHJTMZ-UHFFFAOYSA-N 2 2 391.357 3.744 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(N[C@@H]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@H]34)c2)C1 ZINC001164499954 1026536784 /nfs/dbraw/zinc/53/67/84/1026536784.db2.gz WCUDIYFXKQXFSL-YQIMAOPZSA-N 3 2 390.575 3.542 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(N[C@@H]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@H]34)c2)C1 ZINC001164499954 1026536787 /nfs/dbraw/zinc/53/67/87/1026536787.db2.gz WCUDIYFXKQXFSL-YQIMAOPZSA-N 3 2 390.575 3.542 20 0 GHADLP [NH3+][C@@H]1CC[NH+](Cc2cccc(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)c2)C1 ZINC001164499954 1026536791 /nfs/dbraw/zinc/53/67/91/1026536791.db2.gz WCUDIYFXKQXFSL-YQIMAOPZSA-N 3 2 390.575 3.542 20 0 GHADLP [NH3+][C@@H]1CC[NH+](Cc2cccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)c2)C1 ZINC001164499954 1026536792 /nfs/dbraw/zinc/53/67/92/1026536792.db2.gz WCUDIYFXKQXFSL-YQIMAOPZSA-N 3 2 390.575 3.542 20 0 GHADLP COc1ccccc1[C@H](C)[N@H+](C)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139764122 1026602753 /nfs/dbraw/zinc/60/27/53/1026602753.db2.gz GKSKEGXTHGHIKA-IBGZPJMESA-N 2 2 384.520 3.599 20 0 GHADLP COc1ccccc1[C@H](C)[N@@H+](C)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139764122 1026602757 /nfs/dbraw/zinc/60/27/57/1026602757.db2.gz GKSKEGXTHGHIKA-IBGZPJMESA-N 2 2 384.520 3.599 20 0 GHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001165155020 1026637237 /nfs/dbraw/zinc/63/72/37/1026637237.db2.gz RGXIMURLESEVKO-FPLPWBNLSA-N 2 2 391.515 3.603 20 0 GHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001165155020 1026637241 /nfs/dbraw/zinc/63/72/41/1026637241.db2.gz RGXIMURLESEVKO-FPLPWBNLSA-N 2 2 391.515 3.603 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2c[nH]c3nccc(Br)c23)C1 ZINC001139945855 1026751891 /nfs/dbraw/zinc/75/18/91/1026751891.db2.gz KYZNQFJCYZHHES-CQSZACIVSA-N 2 2 387.281 3.682 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2c[nH]c3nccc(Br)c23)C1 ZINC001139945855 1026751901 /nfs/dbraw/zinc/75/19/01/1026751901.db2.gz KYZNQFJCYZHHES-CQSZACIVSA-N 2 2 387.281 3.682 20 0 GHADLP CCOC[C@@H]1C[N@H+](Cc2ccccc2-n2cc[nH+]c2C)Cc2cn(CC)nc21 ZINC001140025629 1026813575 /nfs/dbraw/zinc/81/35/75/1026813575.db2.gz QUESJYHUQZSSNQ-FQEVSTJZSA-N 2 2 379.508 3.533 20 0 GHADLP CCOC[C@@H]1C[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)Cc2cn(CC)nc21 ZINC001140025629 1026813587 /nfs/dbraw/zinc/81/35/87/1026813587.db2.gz QUESJYHUQZSSNQ-FQEVSTJZSA-N 2 2 379.508 3.533 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC001140027656 1026817471 /nfs/dbraw/zinc/81/74/71/1026817471.db2.gz UGURGOHPCWQWBQ-UHFFFAOYSA-N 2 2 380.536 3.842 20 0 GHADLP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C[C@H]1c1ccccc1 ZINC001140029804 1026818227 /nfs/dbraw/zinc/81/82/27/1026818227.db2.gz TVWUMMLGMBBJQT-LEWJYISDSA-N 2 2 375.472 3.569 20 0 GHADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C[C@H]1c1ccccc1 ZINC001140029804 1026818240 /nfs/dbraw/zinc/81/82/40/1026818240.db2.gz TVWUMMLGMBBJQT-LEWJYISDSA-N 2 2 375.472 3.569 20 0 GHADLP CC(C)(C)OC(=O)N(CCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC001461175090 1069427056 /nfs/dbraw/zinc/42/70/56/1069427056.db2.gz XKDLAPKFJMTMRS-UHFFFAOYSA-N 2 2 376.526 3.813 20 0 GHADLP CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001203672641 1027523866 /nfs/dbraw/zinc/52/38/66/1027523866.db2.gz TXNZNWAWXPQAJG-DEOSSOPVSA-N 2 2 382.548 3.755 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1OC ZINC001203849829 1027655936 /nfs/dbraw/zinc/65/59/36/1027655936.db2.gz GNHRIWQWTUPKTH-LEWJYISDSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1OC ZINC001203849829 1027655948 /nfs/dbraw/zinc/65/59/48/1027655948.db2.gz GNHRIWQWTUPKTH-LEWJYISDSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1OC ZINC001203849829 1027655955 /nfs/dbraw/zinc/65/59/55/1027655955.db2.gz GNHRIWQWTUPKTH-LEWJYISDSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1OC ZINC001203849829 1027655963 /nfs/dbraw/zinc/65/59/63/1027655963.db2.gz GNHRIWQWTUPKTH-LEWJYISDSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cccc(F)c1C[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001203855884 1027662387 /nfs/dbraw/zinc/66/23/87/1027662387.db2.gz FITNXYVZBKWVSY-UHFFFAOYSA-N 2 2 382.382 3.507 20 0 GHADLP C[NH2+]Cc1ccc(Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)[nH+]c2)cc1 ZINC001211130079 1027801486 /nfs/dbraw/zinc/80/14/86/1027801486.db2.gz YOTXCSAMLPJYHM-UHFFFAOYSA-N 2 2 397.523 3.602 20 0 GHADLP C[NH2+]Cc1cccc(Nc2cncnc2[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001211135935 1027803984 /nfs/dbraw/zinc/80/39/84/1027803984.db2.gz LADCTXHETDLWTC-QFIPXVFZSA-N 2 2 389.503 3.513 20 0 GHADLP C[NH2+]Cc1cccc(Nc2cncnc2[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001211135935 1027804003 /nfs/dbraw/zinc/80/40/03/1027804003.db2.gz LADCTXHETDLWTC-QFIPXVFZSA-N 2 2 389.503 3.513 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3c[nH]c4ccccc34)CC[C@@H]21 ZINC001204046100 1027834873 /nfs/dbraw/zinc/83/48/73/1027834873.db2.gz WWBFCQYGFPKFFH-RFWXGWTQSA-N 2 2 377.536 3.738 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3c[nH]c4ccccc34)CC[C@@H]21 ZINC001204046100 1027834896 /nfs/dbraw/zinc/83/48/96/1027834896.db2.gz WWBFCQYGFPKFFH-RFWXGWTQSA-N 2 2 377.536 3.738 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3c[nH]c4ccccc34)CC[C@@H]21 ZINC001204046100 1027834919 /nfs/dbraw/zinc/83/49/19/1027834919.db2.gz WWBFCQYGFPKFFH-RFWXGWTQSA-N 2 2 377.536 3.738 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3c[nH]c4ccccc34)CC[C@@H]21 ZINC001204046100 1027834934 /nfs/dbraw/zinc/83/49/34/1027834934.db2.gz WWBFCQYGFPKFFH-RFWXGWTQSA-N 2 2 377.536 3.738 20 0 GHADLP CC[NH+](CC)CCNC(=O)c1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC001213088749 1027992774 /nfs/dbraw/zinc/99/27/74/1027992774.db2.gz BLKGGEQWQCIQJV-UHFFFAOYSA-N 2 2 377.492 3.892 20 0 GHADLP Cc1ccc(-n2c(Cl)c(C[NH2+]Cc3ccc(CC[NH3+])cc3)nc2N(C)C)cc1 ZINC000841033053 1028057407 /nfs/dbraw/zinc/05/74/07/1028057407.db2.gz JCPOUHAJZUIOHX-UHFFFAOYSA-N 2 2 397.954 3.691 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000841089608 1028115517 /nfs/dbraw/zinc/11/55/17/1028115517.db2.gz OUDJUPLETXQTGF-KRWDZBQOSA-N 2 2 376.907 3.797 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001142192514 1028331724 /nfs/dbraw/zinc/33/17/24/1028331724.db2.gz KSPJQTRAOYEEEM-SFTDATJTSA-N 2 2 393.531 3.601 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cccc3n[nH]cc31)C2 ZINC001143091215 1029838641 /nfs/dbraw/zinc/83/86/41/1029838641.db2.gz BZWIEKSVEWXVPL-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cccc3n[nH]cc31)C2 ZINC001143091215 1029838645 /nfs/dbraw/zinc/83/86/45/1029838645.db2.gz BZWIEKSVEWXVPL-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1cccc3n[nH]cc31)C2 ZINC001143091215 1029838656 /nfs/dbraw/zinc/83/86/56/1029838656.db2.gz BZWIEKSVEWXVPL-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1cccc3n[nH]cc31)C2 ZINC001143091215 1029838663 /nfs/dbraw/zinc/83/86/63/1029838663.db2.gz BZWIEKSVEWXVPL-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP FC1(F)CC[N@H+](Cc2cccc3n[nH]cc32)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001143091541 1029839714 /nfs/dbraw/zinc/83/97/14/1029839714.db2.gz MOIMQINZEYNYPI-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[N@@H+](Cc2cccc3n[nH]cc32)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001143091541 1029839730 /nfs/dbraw/zinc/83/97/30/1029839730.db2.gz MOIMQINZEYNYPI-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2cccc3n[nH]cc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001143091541 1029839737 /nfs/dbraw/zinc/83/97/37/1029839737.db2.gz MOIMQINZEYNYPI-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2cccc3n[nH]cc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001143091541 1029839743 /nfs/dbraw/zinc/83/97/43/1029839743.db2.gz MOIMQINZEYNYPI-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC001461586224 1069624815 /nfs/dbraw/zinc/62/48/15/1069624815.db2.gz RCVDQBSLNBWPBQ-WIYYLYMNSA-N 2 2 398.938 3.614 20 0 GHADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC001461586224 1069624817 /nfs/dbraw/zinc/62/48/17/1069624817.db2.gz RCVDQBSLNBWPBQ-WIYYLYMNSA-N 2 2 398.938 3.614 20 0 GHADLP CN(C)c1cccc(-c2noc(-c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)n2)c1 ZINC001217116431 1030178127 /nfs/dbraw/zinc/17/81/27/1030178127.db2.gz LZNHKCGULUOUBH-UHFFFAOYSA-N 2 2 393.535 3.853 20 0 GHADLP CN(C)c1cccc(-c2noc(-c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)n2)c1 ZINC001217116431 1030178139 /nfs/dbraw/zinc/17/81/39/1030178139.db2.gz LZNHKCGULUOUBH-UHFFFAOYSA-N 2 2 393.535 3.853 20 0 GHADLP Cc1cc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cnc1F ZINC001222591102 1030218999 /nfs/dbraw/zinc/21/89/99/1030218999.db2.gz QXELGYXSZAJGIM-NRFANRHFSA-N 2 2 383.511 3.833 20 0 GHADLP Cc1cc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cnc1F ZINC001222591102 1030219013 /nfs/dbraw/zinc/21/90/13/1030219013.db2.gz QXELGYXSZAJGIM-NRFANRHFSA-N 2 2 383.511 3.833 20 0 GHADLP CC(C)[C@@H](CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)NC(=O)OC(C)(C)C ZINC001461649880 1069658571 /nfs/dbraw/zinc/65/85/71/1069658571.db2.gz XTZSDPZOXZKDKP-MRXNPFEDSA-N 2 2 395.510 3.932 20 0 GHADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217731057 1030633995 /nfs/dbraw/zinc/63/39/95/1030633995.db2.gz GEHACBZPRHVFKW-DZFGPLHGSA-N 2 2 392.503 3.664 20 0 GHADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217731057 1030634008 /nfs/dbraw/zinc/63/40/08/1030634008.db2.gz GEHACBZPRHVFKW-DZFGPLHGSA-N 2 2 392.503 3.664 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)CC(F)F ZINC001461701557 1069688290 /nfs/dbraw/zinc/68/82/90/1069688290.db2.gz XTWYSRBSRDIIDC-NVXWUHKLSA-N 2 2 389.531 3.922 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)CC(F)F ZINC001461701557 1069688294 /nfs/dbraw/zinc/68/82/94/1069688294.db2.gz XTWYSRBSRDIIDC-NVXWUHKLSA-N 2 2 389.531 3.922 20 0 GHADLP C[N@H+](CC(=O)c1cccc(O[C@H]2CCC23CC[NH2+]CC3)c1)Cc1ccccc1 ZINC001218083703 1030762089 /nfs/dbraw/zinc/76/20/89/1030762089.db2.gz UWSZYVJJVMESRN-QHCPKHFHSA-N 2 2 378.516 3.912 20 0 GHADLP C[N@@H+](CC(=O)c1cccc(O[C@H]2CCC23CC[NH2+]CC3)c1)Cc1ccccc1 ZINC001218083703 1030762103 /nfs/dbraw/zinc/76/21/03/1030762103.db2.gz UWSZYVJJVMESRN-QHCPKHFHSA-N 2 2 378.516 3.912 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218337270 1030901302 /nfs/dbraw/zinc/90/13/02/1030901302.db2.gz WGPFOHLCCTUEPD-RDPSFJRHSA-N 3 2 393.575 3.899 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218337270 1030901306 /nfs/dbraw/zinc/90/13/06/1030901306.db2.gz WGPFOHLCCTUEPD-RDPSFJRHSA-N 3 2 393.575 3.899 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2cc(F)cc(OCc3ccccc3)c2)cc1 ZINC001219078554 1031246779 /nfs/dbraw/zinc/24/67/79/1031246779.db2.gz LUKKHFTVQOGWKP-NRFANRHFSA-N 2 2 379.435 3.616 20 0 GHADLP CN(C(=O)c1coc2cc(O)ccc12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001153503186 1031620646 /nfs/dbraw/zinc/62/06/46/1031620646.db2.gz BQNYPQBCBFZEOC-LEWJYISDSA-N 2 2 399.535 3.548 20 0 GHADLP CN(C(=O)c1coc2cc(O)ccc12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001153503186 1031620653 /nfs/dbraw/zinc/62/06/53/1031620653.db2.gz BQNYPQBCBFZEOC-LEWJYISDSA-N 2 2 399.535 3.548 20 0 GHADLP C[NH2+]Cc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)cc1 ZINC001220534448 1031980798 /nfs/dbraw/zinc/98/07/98/1031980798.db2.gz YSGKGJYDPLQFHC-GOSISDBHSA-N 2 2 380.319 3.746 20 0 GHADLP Fc1ccc(Cl)cc1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001206013106 1033685462 /nfs/dbraw/zinc/68/54/62/1033685462.db2.gz CLESWLXJKKCDRJ-UHFFFAOYSA-N 2 2 376.907 3.720 20 0 GHADLP Fc1ccc(Cl)cc1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001206013106 1033685475 /nfs/dbraw/zinc/68/54/75/1033685475.db2.gz CLESWLXJKKCDRJ-UHFFFAOYSA-N 2 2 376.907 3.720 20 0 GHADLP FC(F)(F)Oc1ccccc1CC1C[NH+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC001206180200 1033756316 /nfs/dbraw/zinc/75/63/16/1033756316.db2.gz HTKZDUVUDHFUTH-UHFFFAOYSA-N 2 2 388.393 3.840 20 0 GHADLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c(F)cc(I)cc2F)CC1 ZINC001206325246 1033798119 /nfs/dbraw/zinc/79/81/19/1033798119.db2.gz GNIKLSDSQLCOFR-OAHLLOKOSA-N 2 2 394.247 3.520 20 0 GHADLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(F)cc(I)cc2F)CC1 ZINC001206325246 1033798135 /nfs/dbraw/zinc/79/81/35/1033798135.db2.gz GNIKLSDSQLCOFR-OAHLLOKOSA-N 2 2 394.247 3.520 20 0 GHADLP Cc1c[nH+]c(N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)nc1N1CCCC1 ZINC001158146874 1033935149 /nfs/dbraw/zinc/93/51/49/1033935149.db2.gz AHCHCQWKWDFQDD-WGSAOQKQSA-N 2 2 383.515 3.801 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@@H+]3C[C@H](C[NH3+])CC[C@H]3C)c2n1 ZINC001206806728 1033991203 /nfs/dbraw/zinc/99/12/03/1033991203.db2.gz HFYDRVBQDRFUDU-OLZOCXBDSA-N 2 2 378.314 3.565 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@H+]3C[C@H](C[NH3+])CC[C@H]3C)c2n1 ZINC001206806728 1033991206 /nfs/dbraw/zinc/99/12/06/1033991206.db2.gz HFYDRVBQDRFUDU-OLZOCXBDSA-N 2 2 378.314 3.565 20 0 GHADLP Clc1ccc([C@H]2C[C@H]2C[NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC001207195813 1034166369 /nfs/dbraw/zinc/16/63/69/1034166369.db2.gz HYEDRKMURGTLBH-AZUAARDMSA-N 2 2 397.954 3.656 20 0 GHADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+]CC2CCC3(CCCCC3)CC2)C1 ZINC001207301102 1034251634 /nfs/dbraw/zinc/25/16/34/1034251634.db2.gz BLUUFSRIMPAXDO-QFIPXVFZSA-N 2 2 377.617 3.513 20 0 GHADLP COc1cc(OC(F)(F)F)ccc1Nc1ccc(N2CCC([NH3+])CC2)[nH+]c1 ZINC001159322017 1034543743 /nfs/dbraw/zinc/54/37/43/1034543743.db2.gz WZBNFCNZOBBFEW-UHFFFAOYSA-N 2 2 382.386 3.660 20 0 GHADLP C[C@@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001207824884 1034601561 /nfs/dbraw/zinc/60/15/61/1034601561.db2.gz FBRXOAGEIAPSBC-KZNAEPCWSA-N 2 2 377.492 3.850 20 0 GHADLP C[C@@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001207824884 1034601570 /nfs/dbraw/zinc/60/15/70/1034601570.db2.gz FBRXOAGEIAPSBC-KZNAEPCWSA-N 2 2 377.492 3.850 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2[nH]nc3cc(Br)ccc32)C1 ZINC001231616114 1034771664 /nfs/dbraw/zinc/77/16/64/1034771664.db2.gz VYNLZRAJKCLEDQ-CQSZACIVSA-N 2 2 387.281 3.682 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2[nH]nc3cc(Br)ccc32)C1 ZINC001231616114 1034771674 /nfs/dbraw/zinc/77/16/74/1034771674.db2.gz VYNLZRAJKCLEDQ-CQSZACIVSA-N 2 2 387.281 3.682 20 0 GHADLP C[NH+](C)CC1(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CCCC1 ZINC001208190564 1034784445 /nfs/dbraw/zinc/78/44/45/1034784445.db2.gz GJKXTTPQYCGWHU-PMVMPFDFSA-N 3 2 384.612 3.736 20 0 GHADLP C[NH+](C)CC1(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CCCC1 ZINC001208190564 1034784456 /nfs/dbraw/zinc/78/44/56/1034784456.db2.gz GJKXTTPQYCGWHU-PMVMPFDFSA-N 3 2 384.612 3.736 20 0 GHADLP C[NH+](C)CC1(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CCCC1 ZINC001208190564 1034784469 /nfs/dbraw/zinc/78/44/69/1034784469.db2.gz GJKXTTPQYCGWHU-PMVMPFDFSA-N 3 2 384.612 3.736 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](CC[C@@H](C)CCCC(C)(C)OC)C2)C1 ZINC001208210451 1034802949 /nfs/dbraw/zinc/80/29/49/1034802949.db2.gz RXQHZCLWLQECLN-JTHBVZDNSA-N 2 2 398.632 3.669 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](CC[C@@H](C)CCCC(C)(C)OC)C2)C1 ZINC001208210451 1034802960 /nfs/dbraw/zinc/80/29/60/1034802960.db2.gz RXQHZCLWLQECLN-JTHBVZDNSA-N 2 2 398.632 3.669 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](CC[C@@H](C)CCCC(C)(C)OC)C2)C1 ZINC001208210451 1034802972 /nfs/dbraw/zinc/80/29/72/1034802972.db2.gz RXQHZCLWLQECLN-JTHBVZDNSA-N 2 2 398.632 3.669 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](CC[C@@H](C)CCCC(C)(C)OC)C2)C1 ZINC001208210451 1034802989 /nfs/dbraw/zinc/80/29/89/1034802989.db2.gz RXQHZCLWLQECLN-JTHBVZDNSA-N 2 2 398.632 3.669 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1nc(C2CCCCC2)cs1 ZINC001208340002 1034863921 /nfs/dbraw/zinc/86/39/21/1034863921.db2.gz QOPRAADJKYPUQH-UHFFFAOYSA-N 2 2 393.601 3.681 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1nc(C2CCCCC2)cs1 ZINC001208340002 1034863931 /nfs/dbraw/zinc/86/39/31/1034863931.db2.gz QOPRAADJKYPUQH-UHFFFAOYSA-N 2 2 393.601 3.681 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](CC3(c4ccccc4)CCCC3)C2)C1 ZINC001208774126 1035013779 /nfs/dbraw/zinc/01/37/79/1035013779.db2.gz HGXILNPLKVOLBV-HSZRJFAPSA-N 2 2 386.580 3.559 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](CC3(c4ccccc4)CCCC3)C2)C1 ZINC001208774126 1035013782 /nfs/dbraw/zinc/01/37/82/1035013782.db2.gz HGXILNPLKVOLBV-HSZRJFAPSA-N 2 2 386.580 3.559 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](CC3(c4ccccc4)CCCC3)C2)C1 ZINC001208774126 1035013790 /nfs/dbraw/zinc/01/37/90/1035013790.db2.gz HGXILNPLKVOLBV-HSZRJFAPSA-N 2 2 386.580 3.559 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](CC3(c4ccccc4)CCCC3)C2)C1 ZINC001208774126 1035013797 /nfs/dbraw/zinc/01/37/97/1035013797.db2.gz HGXILNPLKVOLBV-HSZRJFAPSA-N 2 2 386.580 3.559 20 0 GHADLP Cc1cccc(N2CCC[C@]3(C2)C[N@H+](Cc2cc4c[nH+]ccc4[nH]2)CCO3)c1 ZINC001232014002 1035044258 /nfs/dbraw/zinc/04/42/58/1035044258.db2.gz XEXDNRITRVGWGN-HSZRJFAPSA-N 2 2 376.504 3.743 20 0 GHADLP Cc1cccc(N2CCC[C@]3(C2)C[N@@H+](Cc2cc4c[nH+]ccc4[nH]2)CCO3)c1 ZINC001232014002 1035044265 /nfs/dbraw/zinc/04/42/65/1035044265.db2.gz XEXDNRITRVGWGN-HSZRJFAPSA-N 2 2 376.504 3.743 20 0 GHADLP c1c(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)[nH]c2cc[nH+]cc12 ZINC001232013725 1035044870 /nfs/dbraw/zinc/04/48/70/1035044870.db2.gz SXYAZDUIESAJHY-QPPBQGQZSA-N 3 2 394.563 3.523 20 0 GHADLP c1c(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)[nH]c2cc[nH+]cc12 ZINC001232013725 1035044875 /nfs/dbraw/zinc/04/48/75/1035044875.db2.gz SXYAZDUIESAJHY-QPPBQGQZSA-N 3 2 394.563 3.523 20 0 GHADLP c1c(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)[nH]c2cc[nH+]cc12 ZINC001232013725 1035044885 /nfs/dbraw/zinc/04/48/85/1035044885.db2.gz SXYAZDUIESAJHY-QPPBQGQZSA-N 3 2 394.563 3.523 20 0 GHADLP c1c(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)[nH]c2cc[nH+]cc12 ZINC001232013725 1035044891 /nfs/dbraw/zinc/04/48/91/1035044891.db2.gz SXYAZDUIESAJHY-QPPBQGQZSA-N 3 2 394.563 3.523 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208933182 1035096807 /nfs/dbraw/zinc/09/68/07/1035096807.db2.gz USAQOSAEXWNKJS-NRFANRHFSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208933182 1035096816 /nfs/dbraw/zinc/09/68/16/1035096816.db2.gz USAQOSAEXWNKJS-NRFANRHFSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[NH+]2C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208933182 1035096824 /nfs/dbraw/zinc/09/68/24/1035096824.db2.gz USAQOSAEXWNKJS-NRFANRHFSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[NH+]2C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208933182 1035096832 /nfs/dbraw/zinc/09/68/32/1035096832.db2.gz USAQOSAEXWNKJS-NRFANRHFSA-N 2 2 399.579 3.984 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208933290 1035097492 /nfs/dbraw/zinc/09/74/92/1035097492.db2.gz CVOBMQDGJPUETI-JOCHJYFZSA-N 3 2 378.564 3.841 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208933290 1035097500 /nfs/dbraw/zinc/09/75/00/1035097500.db2.gz CVOBMQDGJPUETI-JOCHJYFZSA-N 3 2 378.564 3.841 20 0 GHADLP Clc1ccnc(N2CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208941000 1035109614 /nfs/dbraw/zinc/10/96/14/1035109614.db2.gz WRBFMICUJMLNFW-FQEVSTJZSA-N 2 2 384.955 3.769 20 0 GHADLP Clc1ccnc(N2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208941000 1035109620 /nfs/dbraw/zinc/10/96/20/1035109620.db2.gz WRBFMICUJMLNFW-FQEVSTJZSA-N 2 2 384.955 3.769 20 0 GHADLP COc1ccc(F)cc1C[NH+]1CCC(Nc2cc(N3CCCC3)nc(C)[nH+]2)CC1 ZINC001161151835 1035160679 /nfs/dbraw/zinc/16/06/79/1035160679.db2.gz IZFBVEXCQSASRS-UHFFFAOYSA-N 2 2 399.514 3.609 20 0 GHADLP COc1ccc(F)cc1C[NH+]1CCC(Nc2cc(N3CCCC3)[nH+]c(C)n2)CC1 ZINC001161151835 1035160688 /nfs/dbraw/zinc/16/06/88/1035160688.db2.gz IZFBVEXCQSASRS-UHFFFAOYSA-N 2 2 399.514 3.609 20 0 GHADLP c1cc(-c2ccc3c(C4C[NH+](CC5CCC6(CC5)OCCO6)C4)[nH+]cn3c2)co1 ZINC001209103479 1035174407 /nfs/dbraw/zinc/17/44/07/1035174407.db2.gz VZXZVVMQYPDGLE-UHFFFAOYSA-N 2 2 393.487 3.927 20 0 GHADLP COc1cc2ccc(NCC3CC[NH+](C4CCOCC4)CC3)[nH+]c2cc1OC ZINC001161236716 1035188321 /nfs/dbraw/zinc/18/83/21/1035188321.db2.gz WNAYBNQRUSMPDK-UHFFFAOYSA-N 2 2 385.508 3.555 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]2c2ccc(OC(F)(F)F)cc2)cc1 ZINC001161252488 1035194109 /nfs/dbraw/zinc/19/41/09/1035194109.db2.gz LFKJXEUQYXYYIG-QZTJIDSGSA-N 2 2 393.409 3.521 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCCCCCNC(=O)OC(C)(C)C)C1 ZINC001209360927 1035253931 /nfs/dbraw/zinc/25/39/31/1035253931.db2.gz LTQNDHFFRKDVPM-GOSISDBHSA-N 2 2 377.529 3.928 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C1 ZINC001209360927 1035253936 /nfs/dbraw/zinc/25/39/36/1035253936.db2.gz LTQNDHFFRKDVPM-GOSISDBHSA-N 2 2 377.529 3.928 20 0 GHADLP O=C(CC1=C(c2ccccc2)[NH2+]C(c2ccccc2)S1)N1CC[NH2+]C2(CC2)C1 ZINC001161542665 1035254841 /nfs/dbraw/zinc/25/48/41/1035254841.db2.gz IPLYJECMGLZWEE-UHFFFAOYSA-N 2 2 390.532 3.584 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3c[nH]c4ncc(Cl)cc34)C2)C1 ZINC001209598691 1035324993 /nfs/dbraw/zinc/32/49/93/1035324993.db2.gz KXTARSSSFJRUBJ-FQEVSTJZSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3c[nH]c4ncc(Cl)cc34)C2)C1 ZINC001209598691 1035325000 /nfs/dbraw/zinc/32/50/00/1035325000.db2.gz KXTARSSSFJRUBJ-FQEVSTJZSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3c[nH]c4ncc(Cl)cc34)C2)C1 ZINC001209598691 1035325005 /nfs/dbraw/zinc/32/50/05/1035325005.db2.gz KXTARSSSFJRUBJ-FQEVSTJZSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3c[nH]c4ncc(Cl)cc34)C2)C1 ZINC001209598691 1035325012 /nfs/dbraw/zinc/32/50/12/1035325012.db2.gz KXTARSSSFJRUBJ-FQEVSTJZSA-N 2 2 376.932 3.539 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c1C ZINC001209605845 1035327712 /nfs/dbraw/zinc/32/77/12/1035327712.db2.gz VQFKXNHGIWHZIL-SFTDATJTSA-N 2 2 395.547 3.680 20 0 GHADLP [NH3+][C@]1(c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)CCCc2ccccc21 ZINC001248246815 1035693307 /nfs/dbraw/zinc/69/33/07/1035693307.db2.gz BBMNJDPPKXAXQP-UUFSLDAJSA-N 2 2 387.487 3.737 20 0 GHADLP COc1ccc(Cl)c(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c1F ZINC001278346946 1035905653 /nfs/dbraw/zinc/90/56/53/1035905653.db2.gz OPZGUQRTYCKHQW-UHFFFAOYSA-N 2 2 377.891 3.914 20 0 GHADLP Fc1ccc(C[NH+]2CCOCC2)c(-c2ccc(OCC[NH+]3CCCCC3)nc2)c1 ZINC001243102532 1036033752 /nfs/dbraw/zinc/03/37/52/1036033752.db2.gz GCKVMSNESNTEBS-UHFFFAOYSA-N 2 2 399.510 3.585 20 0 GHADLP C[C@@H]1CC[N@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)CC[S@@]1=O ZINC001462083899 1069986369 /nfs/dbraw/zinc/98/63/69/1069986369.db2.gz CPAJVJJYSBZTJF-GSPPDTAYSA-N 2 2 376.610 3.768 20 0 GHADLP C[C@@H]1CC[N@@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)CC[S@@]1=O ZINC001462083899 1069986373 /nfs/dbraw/zinc/98/63/73/1069986373.db2.gz CPAJVJJYSBZTJF-GSPPDTAYSA-N 2 2 376.610 3.768 20 0 GHADLP C[C@@H]1CC[NH+](C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC[S@@]1=O ZINC001462083899 1069986374 /nfs/dbraw/zinc/98/63/74/1069986374.db2.gz CPAJVJJYSBZTJF-GSPPDTAYSA-N 2 2 376.610 3.768 20 0 GHADLP C[C@@H]1CC[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC[S@@]1=O ZINC001462083899 1069986379 /nfs/dbraw/zinc/98/63/79/1069986379.db2.gz CPAJVJJYSBZTJF-GSPPDTAYSA-N 2 2 376.610 3.768 20 0 GHADLP CCCC[C@H](CC)COC[C@@H](O)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001246065752 1037178060 /nfs/dbraw/zinc/17/80/60/1037178060.db2.gz QGLGEYACOJQYDP-UNMCSNQZSA-N 2 2 388.596 3.717 20 0 GHADLP O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001246067777 1037181257 /nfs/dbraw/zinc/18/12/57/1037181257.db2.gz XOIOOSKFKHAXTC-RTBURBONSA-N 2 2 393.531 3.667 20 0 GHADLP O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001246067777 1037181271 /nfs/dbraw/zinc/18/12/71/1037181271.db2.gz XOIOOSKFKHAXTC-RTBURBONSA-N 2 2 393.531 3.667 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@@H](C[NH3+])c2ccccc2)CC1 ZINC001246079337 1037189311 /nfs/dbraw/zinc/18/93/11/1037189311.db2.gz YGHFFGZBQWPOBL-FUHYEJFZSA-N 2 2 386.923 3.983 20 0 GHADLP C[C@H](Cc1ccccc1Br)[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246202954 1037235056 /nfs/dbraw/zinc/23/50/56/1037235056.db2.gz PSFQXJWHJLNKBT-PBHICJAKSA-N 2 2 399.373 3.809 20 0 GHADLP CC(C)(C)OC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246206554 1037238770 /nfs/dbraw/zinc/23/87/70/1037238770.db2.gz HIWUPQGSDYVFFF-PBHICJAKSA-N 2 2 387.351 3.890 20 0 GHADLP O=C(OCc1ccccc1)[C@H](Cc1ccccc1)[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246210485 1037240060 /nfs/dbraw/zinc/24/00/60/1037240060.db2.gz IIBKJOFGYFUDIB-KJXWVISYSA-N 2 2 392.543 3.853 20 0 GHADLP CCOC(=O)c1csc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)c1 ZINC001246348558 1037308631 /nfs/dbraw/zinc/30/86/31/1037308631.db2.gz SBEVFSKUMXFNHL-LPHOPBHVSA-N 2 2 376.497 3.955 20 0 GHADLP COc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)cc1 ZINC001246360009 1037320199 /nfs/dbraw/zinc/32/01/99/1037320199.db2.gz DKNHDLLBTRXZFV-HFMPRLQTSA-N 2 2 397.538 3.800 20 0 GHADLP O=C1C[C@@H]([NH2+]C2(c3ccccc3Cl)CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001246370281 1037329251 /nfs/dbraw/zinc/32/92/51/1037329251.db2.gz BANJTHLAZZBATI-IBGZPJMESA-N 2 2 397.950 3.700 20 0 GHADLP Brc1ccc2c(c1)OC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246375104 1037332745 /nfs/dbraw/zinc/33/27/45/1037332745.db2.gz OMRBFBMIJGBLST-LMMKCTJWSA-N 2 2 387.321 3.836 20 0 GHADLP Clc1ccccc1CC1([NH2+][C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246382362 1037342954 /nfs/dbraw/zinc/34/29/54/1037342954.db2.gz WJYJRFXZEJBUIP-YADHBBJMSA-N 3 2 397.994 3.958 20 0 GHADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246400351 1037358691 /nfs/dbraw/zinc/35/86/91/1037358691.db2.gz FFUXDOXAKQVDLO-YWZLYKJASA-N 2 2 392.902 3.851 20 0 GHADLP COC(=O)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)CSc2ccc(Cl)cc2)cc1 ZINC001246526421 1037458801 /nfs/dbraw/zinc/45/88/01/1037458801.db2.gz QCWYPCJARSEOTD-UGSOOPFHSA-N 2 2 378.925 3.897 20 0 GHADLP CCCC[C@@H]1C[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)CC[NH2+]1 ZINC001246702407 1037555563 /nfs/dbraw/zinc/55/55/63/1037555563.db2.gz OKFCVXDTQCOLPE-WOJBJXKFSA-N 3 2 391.625 3.726 20 0 GHADLP CCCC[C@@H]1C[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)CC[NH2+]1 ZINC001246702407 1037555569 /nfs/dbraw/zinc/55/55/69/1037555569.db2.gz OKFCVXDTQCOLPE-WOJBJXKFSA-N 3 2 391.625 3.726 20 0 GHADLP CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC001462198111 1070075189 /nfs/dbraw/zinc/07/51/89/1070075189.db2.gz FDHZOMONSRLPRM-UXHICEINSA-N 2 2 382.508 3.568 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH+]2CCN(c3nccc4occc43)CC2)CC[NH2+]1 ZINC001246815411 1037648123 /nfs/dbraw/zinc/64/81/23/1037648123.db2.gz BTKOKJDABHLPJY-NQIIRXRSSA-N 2 2 394.494 3.891 20 0 GHADLP CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246819699 1037652709 /nfs/dbraw/zinc/65/27/09/1037652709.db2.gz DJEDXFWGWLZNDI-SFTDATJTSA-N 2 2 383.580 3.783 20 0 GHADLP CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246819699 1037652724 /nfs/dbraw/zinc/65/27/24/1037652724.db2.gz DJEDXFWGWLZNDI-SFTDATJTSA-N 2 2 383.580 3.783 20 0 GHADLP O=C(c1ccc(Cl)cc1)N1CCC[N@@H+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC001246886852 1037702413 /nfs/dbraw/zinc/70/24/13/1037702413.db2.gz JGJJRQGVFJTQGR-VXKWHMMOSA-N 2 2 397.950 3.981 20 0 GHADLP O=C(c1ccc(Cl)cc1)N1CCC[N@H+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC001246886852 1037702428 /nfs/dbraw/zinc/70/24/28/1037702428.db2.gz JGJJRQGVFJTQGR-VXKWHMMOSA-N 2 2 397.950 3.981 20 0 GHADLP COC(=O)[C@H]1CCC[C@H]([N@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246958993 1037774400 /nfs/dbraw/zinc/77/44/00/1037774400.db2.gz UGWWOVAEWHZTQV-HOCLYGCPSA-N 2 2 398.469 3.780 20 0 GHADLP COC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246958993 1037774417 /nfs/dbraw/zinc/77/44/17/1037774417.db2.gz UGWWOVAEWHZTQV-HOCLYGCPSA-N 2 2 398.469 3.780 20 0 GHADLP C[NH+]1CCC([N@H+](C2CC[NH2+]CC2)[C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246993636 1037816741 /nfs/dbraw/zinc/81/67/41/1037816741.db2.gz LPWSXVLXTYCZEN-IBGZPJMESA-N 3 2 396.406 3.999 20 0 GHADLP C[NH+]1CCC([N@@H+](C2CC[NH2+]CC2)[C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246993636 1037816767 /nfs/dbraw/zinc/81/67/67/1037816767.db2.gz LPWSXVLXTYCZEN-IBGZPJMESA-N 3 2 396.406 3.999 20 0 GHADLP Clc1ccc(-c2noc([C@@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)cc1Cl ZINC001247127966 1037937317 /nfs/dbraw/zinc/93/73/17/1037937317.db2.gz TYWDONCZSVCPDY-LBPRGKRZSA-N 2 2 390.274 3.659 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)ccc1-n1cnc(C)c1 ZINC001232565985 1038335177 /nfs/dbraw/zinc/33/51/77/1038335177.db2.gz HXNCCEKNDSOJJG-LJQANCHMSA-N 2 2 378.476 3.546 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)ccc1-n1cnc(C)c1 ZINC001232565985 1038335193 /nfs/dbraw/zinc/33/51/93/1038335193.db2.gz HXNCCEKNDSOJJG-LJQANCHMSA-N 2 2 378.476 3.546 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3ccc(Br)cc3Cl)no2)cc1 ZINC001247697972 1038337025 /nfs/dbraw/zinc/33/70/25/1038337025.db2.gz DUJCPBGDUKLALY-CQSZACIVSA-N 2 2 393.672 3.778 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3cc(Br)ccc3Cl)no2)cc1 ZINC001247702990 1038340874 /nfs/dbraw/zinc/34/08/74/1038340874.db2.gz ZZPSLZGXCZTPLH-AWEZNQCLSA-N 2 2 393.672 3.778 20 0 GHADLP FC(F)(F)[C@@H]1CC[C@@H](c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)[NH2+]C1 ZINC001247763488 1038369245 /nfs/dbraw/zinc/36/92/45/1038369245.db2.gz VSYNWRDIQHTCLJ-CYSMCQCQSA-N 2 2 393.413 3.801 20 0 GHADLP c1cn(-c2ccccc2-c2noc([C@@H]3OC4(CC[NH2+]CC4)c4ccccc43)n2)c[nH+]1 ZINC001247856766 1038427763 /nfs/dbraw/zinc/42/77/63/1038427763.db2.gz DYDMPOIJCSWKLG-HXUWFJFHSA-N 2 2 399.454 3.621 20 0 GHADLP Fc1cccc(-c2ccc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)cn2)c1 ZINC001232884719 1038662684 /nfs/dbraw/zinc/66/26/84/1038662684.db2.gz OLEGTMVALYKEPA-VXKWHMMOSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1cccc(-c2ccc(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)cn2)c1 ZINC001232885627 1038665963 /nfs/dbraw/zinc/66/59/63/1038665963.db2.gz ZXSSDVUMVCEFMF-SFTDATJTSA-N 2 2 388.490 3.847 20 0 GHADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC001252283413 1038922786 /nfs/dbraw/zinc/92/27/86/1038922786.db2.gz GJCLFFRXNBLXEB-XMMPIXPASA-N 2 2 382.548 3.551 20 0 GHADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC001252283413 1038922792 /nfs/dbraw/zinc/92/27/92/1038922792.db2.gz GJCLFFRXNBLXEB-XMMPIXPASA-N 2 2 382.548 3.551 20 0 GHADLP CCCCOc1ccc(-c2nnc(-c3c[nH+]ccc3N3CC[NH+](C)CC3)o2)cc1 ZINC001252436940 1038993078 /nfs/dbraw/zinc/99/30/78/1038993078.db2.gz HCCIIUVSTKSHBK-UHFFFAOYSA-N 2 2 393.491 3.729 20 0 GHADLP COC(=O)CCC[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234033798 1039775467 /nfs/dbraw/zinc/77/54/67/1039775467.db2.gz XBLHVUAUUDAFDJ-UHFFFAOYSA-N 2 2 393.487 3.836 20 0 GHADLP COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234033798 1039775485 /nfs/dbraw/zinc/77/54/85/1039775485.db2.gz XBLHVUAUUDAFDJ-UHFFFAOYSA-N 2 2 393.487 3.836 20 0 GHADLP COc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)C1 ZINC001234058340 1039791707 /nfs/dbraw/zinc/79/17/07/1039791707.db2.gz KXWDBOFUDOOWDD-IBGZPJMESA-N 2 2 393.487 3.933 20 0 GHADLP COc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)C1 ZINC001234058340 1039791725 /nfs/dbraw/zinc/79/17/25/1039791725.db2.gz KXWDBOFUDOOWDD-IBGZPJMESA-N 2 2 393.487 3.933 20 0 GHADLP CCC1([NH+]2CCCCC2)CCN(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CC1 ZINC001254399766 1040210446 /nfs/dbraw/zinc/21/04/46/1040210446.db2.gz NOZGOAHASLZHLR-OAQYLSRUSA-N 2 2 384.568 3.613 20 0 GHADLP CCC1([NH+]2CCCCC2)CCN(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC001254399766 1040210450 /nfs/dbraw/zinc/21/04/50/1040210450.db2.gz NOZGOAHASLZHLR-OAQYLSRUSA-N 2 2 384.568 3.613 20 0 GHADLP Oc1ccc(C[NH+]2CCC([NH2+]C3CCN(c4ccc(F)cc4)CC3)CC2)cc1 ZINC001254618644 1040389598 /nfs/dbraw/zinc/38/95/98/1040389598.db2.gz BKRDYSJMIFCQOQ-UHFFFAOYSA-N 2 2 383.511 3.754 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1c[nH]c3c1cccc3OC)CC2 ZINC001235020294 1040509810 /nfs/dbraw/zinc/50/98/10/1040509810.db2.gz RLOJPUJWBVERJC-UHFFFAOYSA-N 2 2 391.515 3.822 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1c[nH]c3c1cccc3OC)CC2 ZINC001235020294 1040509824 /nfs/dbraw/zinc/50/98/24/1040509824.db2.gz RLOJPUJWBVERJC-UHFFFAOYSA-N 2 2 391.515 3.822 20 0 GHADLP CC(C)Oc1ccc(-c2ccc(C[N@@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cn2)cc1 ZINC001235024329 1040515724 /nfs/dbraw/zinc/51/57/24/1040515724.db2.gz ZEAMSFITGDVRIY-XMMPIXPASA-N 2 2 395.547 3.738 20 0 GHADLP CC(C)Oc1ccc(-c2ccc(C[N@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cn2)cc1 ZINC001235024329 1040515744 /nfs/dbraw/zinc/51/57/44/1040515744.db2.gz ZEAMSFITGDVRIY-XMMPIXPASA-N 2 2 395.547 3.738 20 0 GHADLP Brc1ccc(C2(C[NH2+][C@H]3CC4CC[NH+](CC4)C3)CCOCC2)cc1 ZINC001254847484 1040593237 /nfs/dbraw/zinc/59/32/37/1040593237.db2.gz FFDLDEPRIGFTND-IBGZPJMESA-N 2 2 393.369 3.571 20 0 GHADLP O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CC[NH+]([C@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254861542 1040606740 /nfs/dbraw/zinc/60/67/40/1040606740.db2.gz UFGIJHWKGRDSSO-GOTSBHOMSA-N 2 2 393.575 3.546 20 0 GHADLP COc1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235226171 1040708342 /nfs/dbraw/zinc/70/83/42/1040708342.db2.gz ZJDVDSVDCZBYAH-ICSRJNTNSA-N 2 2 376.422 3.946 20 0 GHADLP COc1ccc(-c2ccccc2)cc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235226171 1040708356 /nfs/dbraw/zinc/70/83/56/1040708356.db2.gz ZJDVDSVDCZBYAH-ICSRJNTNSA-N 2 2 376.422 3.946 20 0 GHADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3ccccc3OC(F)(F)F)nc1)C2 ZINC001235248206 1040729544 /nfs/dbraw/zinc/72/95/44/1040729544.db2.gz PUTQUEOGROFMAL-DNVCBOLYSA-N 2 2 377.410 3.960 20 0 GHADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3ccccc3OC(F)(F)F)nc1)C2 ZINC001235248206 1040729557 /nfs/dbraw/zinc/72/95/57/1040729557.db2.gz PUTQUEOGROFMAL-DNVCBOLYSA-N 2 2 377.410 3.960 20 0 GHADLP FC(F)(F)Oc1cccc(Cl)c1C[NH+]1CCC(OC2CC[NH2+]CC2)CC1 ZINC001235298204 1040768049 /nfs/dbraw/zinc/76/80/49/1040768049.db2.gz XLDDPNSTDSWGLB-UHFFFAOYSA-N 2 2 392.849 3.972 20 0 GHADLP Cc1cc(F)ccc1C[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255108783 1040789752 /nfs/dbraw/zinc/78/97/52/1040789752.db2.gz YQHADZCFSNUAKJ-DEOSSOPVSA-N 2 2 381.539 3.963 20 0 GHADLP Cc1cc(F)ccc1C[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255108783 1040789767 /nfs/dbraw/zinc/78/97/67/1040789767.db2.gz YQHADZCFSNUAKJ-DEOSSOPVSA-N 2 2 381.539 3.963 20 0 GHADLP COc1cccc(C[NH+]2CCC(N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001255108472 1040790142 /nfs/dbraw/zinc/79/01/42/1040790142.db2.gz QDZYCUKTURTMSP-HSZRJFAPSA-N 2 2 379.548 3.524 20 0 GHADLP COc1cccc(C[NH+]2CCC(N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001255108472 1040790153 /nfs/dbraw/zinc/79/01/53/1040790153.db2.gz QDZYCUKTURTMSP-HSZRJFAPSA-N 2 2 379.548 3.524 20 0 GHADLP Brc1cc(C[NH+]2CCC(C3C[NH2+]C3)CC2)sc1Br ZINC001235338227 1040808194 /nfs/dbraw/zinc/80/81/94/1040808194.db2.gz DUVXVZUWAKWOGG-UHFFFAOYSA-N 2 2 394.176 3.705 20 0 GHADLP FC(F)(F)c1cccnc1C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235368155 1040866355 /nfs/dbraw/zinc/86/63/55/1040866355.db2.gz ITALKBZYGKHYGO-FXAWDEMLSA-N 2 2 375.438 3.854 20 0 GHADLP FC(F)(F)c1cccnc1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235368155 1040866374 /nfs/dbraw/zinc/86/63/74/1040866374.db2.gz ITALKBZYGKHYGO-FXAWDEMLSA-N 2 2 375.438 3.854 20 0 GHADLP COc1cncc(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)c1C ZINC001235462297 1040949708 /nfs/dbraw/zinc/94/97/08/1040949708.db2.gz RXHBCOBJQJOVPX-UHFFFAOYSA-N 2 2 384.524 3.634 20 0 GHADLP COc1cncc(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)c1C ZINC001235462297 1040949722 /nfs/dbraw/zinc/94/97/22/1040949722.db2.gz RXHBCOBJQJOVPX-UHFFFAOYSA-N 2 2 384.524 3.634 20 0 GHADLP COc1ccccc1CN1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255405356 1040992620 /nfs/dbraw/zinc/99/26/20/1040992620.db2.gz WJFIUMHQDPYMEX-XMMPIXPASA-N 2 2 393.575 3.868 20 0 GHADLP COc1ccccc1CN1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255405356 1040992621 /nfs/dbraw/zinc/99/26/21/1040992621.db2.gz WJFIUMHQDPYMEX-XMMPIXPASA-N 2 2 393.575 3.868 20 0 GHADLP C[NH2+]CC1CC[NH+](Cc2cc(Br)cc(Br)c2F)CC1 ZINC001235680035 1041143043 /nfs/dbraw/zinc/14/30/43/1041143043.db2.gz QQASFXLMMPBLOV-UHFFFAOYSA-N 2 2 394.126 3.782 20 0 GHADLP FC(F)(F)[C@H]1CCC[C@@H]([NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)C1 ZINC001255712501 1041238008 /nfs/dbraw/zinc/23/80/08/1041238008.db2.gz ACAAGVWRFDURPK-DLBZAZTESA-N 2 2 383.458 3.874 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H](C)CSc3ccc(C)cc3)C2)C1 ZINC001255766360 1041282328 /nfs/dbraw/zinc/28/23/28/1041282328.db2.gz QQMHDYZZYQLNHO-RBBKRZOGSA-N 2 2 392.609 3.536 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H](C)CSc3ccc(C)cc3)C2)C1 ZINC001255766360 1041282340 /nfs/dbraw/zinc/28/23/40/1041282340.db2.gz QQMHDYZZYQLNHO-RBBKRZOGSA-N 2 2 392.609 3.536 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H](C)CSc3ccc(C)cc3)C2)C1 ZINC001255766360 1041282352 /nfs/dbraw/zinc/28/23/52/1041282352.db2.gz QQMHDYZZYQLNHO-RBBKRZOGSA-N 2 2 392.609 3.536 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H](C)CSc3ccc(C)cc3)C2)C1 ZINC001255766360 1041282365 /nfs/dbraw/zinc/28/23/65/1041282365.db2.gz QQMHDYZZYQLNHO-RBBKRZOGSA-N 2 2 392.609 3.536 20 0 GHADLP COCCC[N@H+](Cc1c[nH]c2cccc(Br)c12)[C@H]1CCC[NH2+]C1 ZINC001235806054 1041314111 /nfs/dbraw/zinc/31/41/11/1041314111.db2.gz IJTMDOFJZLYSKC-HNNXBMFYSA-N 2 2 380.330 3.521 20 0 GHADLP COCCC[N@@H+](Cc1c[nH]c2cccc(Br)c12)[C@H]1CCC[NH2+]C1 ZINC001235806054 1041314122 /nfs/dbraw/zinc/31/41/22/1041314122.db2.gz IJTMDOFJZLYSKC-HNNXBMFYSA-N 2 2 380.330 3.521 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)c1cccc(OC)c1 ZINC001255955050 1041435146 /nfs/dbraw/zinc/43/51/46/1041435146.db2.gz MZFGSJHNPFQNBL-FXAWDEMLSA-N 2 2 393.572 3.971 20 0 GHADLP COCCC[N@H+](Cc1c(Br)[nH]c2ccccc21)C1CC[NH2+]CC1 ZINC001235936934 1041441779 /nfs/dbraw/zinc/44/17/79/1041441779.db2.gz HVWLVIHPMIJUAJ-UHFFFAOYSA-N 2 2 380.330 3.521 20 0 GHADLP COCCC[N@@H+](Cc1c(Br)[nH]c2ccccc21)C1CC[NH2+]CC1 ZINC001235936934 1041441783 /nfs/dbraw/zinc/44/17/83/1041441783.db2.gz HVWLVIHPMIJUAJ-UHFFFAOYSA-N 2 2 380.330 3.521 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001255970227 1041449080 /nfs/dbraw/zinc/44/90/80/1041449080.db2.gz ANJRPNXVGXZZQZ-XHSDSOJGSA-N 2 2 395.510 3.884 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001255970227 1041449083 /nfs/dbraw/zinc/44/90/83/1041449083.db2.gz ANJRPNXVGXZZQZ-XHSDSOJGSA-N 2 2 395.510 3.884 20 0 GHADLP COCC[N@H+](Cc1ccc(-c2ccc(OC(C)C)cc2)nc1)C1CC[NH2+]CC1 ZINC001235943343 1041449314 /nfs/dbraw/zinc/44/93/14/1041449314.db2.gz HZYVBRLYGGYBET-UHFFFAOYSA-N 2 2 383.536 3.736 20 0 GHADLP COCC[N@@H+](Cc1ccc(-c2ccc(OC(C)C)cc2)nc1)C1CC[NH2+]CC1 ZINC001235943343 1041449322 /nfs/dbraw/zinc/44/93/22/1041449322.db2.gz HZYVBRLYGGYBET-UHFFFAOYSA-N 2 2 383.536 3.736 20 0 GHADLP COCC[N@H+](Cc1ccc(-c2ccc(C(F)(F)F)cc2)nc1)C1CC[NH2+]CC1 ZINC001235945982 1041451361 /nfs/dbraw/zinc/45/13/61/1041451361.db2.gz ZDRRZFQMPRCEJU-UHFFFAOYSA-N 2 2 393.453 3.968 20 0 GHADLP COCC[N@@H+](Cc1ccc(-c2ccc(C(F)(F)F)cc2)nc1)C1CC[NH2+]CC1 ZINC001235945982 1041451369 /nfs/dbraw/zinc/45/13/69/1041451369.db2.gz ZDRRZFQMPRCEJU-UHFFFAOYSA-N 2 2 393.453 3.968 20 0 GHADLP Brc1[nH]c2ccccc2c1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236008220 1041498917 /nfs/dbraw/zinc/49/89/17/1041498917.db2.gz BLWJCCLZXILSSL-IERDGZPVSA-N 2 2 396.332 3.903 20 0 GHADLP Brc1[nH]c2ccccc2c1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236008220 1041498923 /nfs/dbraw/zinc/49/89/23/1041498923.db2.gz BLWJCCLZXILSSL-IERDGZPVSA-N 2 2 396.332 3.903 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cc(C(=O)N4CCCCC4)ccc3F)cc2)C1 ZINC001236013680 1041507043 /nfs/dbraw/zinc/50/70/43/1041507043.db2.gz MXGHTMVJEUGVEG-FQEVSTJZSA-N 2 2 381.495 3.652 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cc(C(=O)N4CCCCC4)ccc3F)cc2)C1 ZINC001236013680 1041507062 /nfs/dbraw/zinc/50/70/62/1041507062.db2.gz MXGHTMVJEUGVEG-FQEVSTJZSA-N 2 2 381.495 3.652 20 0 GHADLP CC(C)(C)OC(=O)N1CCCCC12CC[NH+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256076303 1041511125 /nfs/dbraw/zinc/51/11/25/1041511125.db2.gz XOFROOGGEFSSKW-UHFFFAOYSA-N 2 2 377.573 3.869 20 0 GHADLP [NH3+]C1CN([C@H]2CCC[N@H+](Cc3c(Cl)c(Cl)ccc3C(F)(F)F)C2)C1 ZINC001236076606 1041523481 /nfs/dbraw/zinc/52/34/81/1041523481.db2.gz CDRHFTAHZBWROD-NSHDSACASA-N 2 2 382.257 3.620 20 0 GHADLP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3c(Cl)c(Cl)ccc3C(F)(F)F)C2)C1 ZINC001236076606 1041523488 /nfs/dbraw/zinc/52/34/88/1041523488.db2.gz CDRHFTAHZBWROD-NSHDSACASA-N 2 2 382.257 3.620 20 0 GHADLP COc1ccc(C[C@H](C)[N@H+](Cc2cn3c(n2)C[NH2+]CC3)Cc2ccccc2)cc1 ZINC001236106579 1041538853 /nfs/dbraw/zinc/53/88/53/1041538853.db2.gz GKMHLEZXMCLQRU-IBGZPJMESA-N 2 2 390.531 3.628 20 0 GHADLP COc1ccc(C[C@H](C)[N@@H+](Cc2cn3c(n2)C[NH2+]CC3)Cc2ccccc2)cc1 ZINC001236106579 1041538871 /nfs/dbraw/zinc/53/88/71/1041538871.db2.gz GKMHLEZXMCLQRU-IBGZPJMESA-N 2 2 390.531 3.628 20 0 GHADLP CC(C)Oc1c(Cl)cc(C[NH+]2CCC(N3CC[NH2+]CC3)CC2)cc1Cl ZINC001236126753 1041554289 /nfs/dbraw/zinc/55/42/89/1041554289.db2.gz CZUNVGGOWAMIPC-UHFFFAOYSA-N 2 2 386.367 3.650 20 0 GHADLP C[C@@H]([C@H](Oc1ccccc1)c1ccccc1)[N@H+](C)Cc1cn2c(n1)C[NH2+]CC2 ZINC001236162202 1041586148 /nfs/dbraw/zinc/58/61/48/1041586148.db2.gz ZHJJIJYWLVBORO-MBSDFSHPSA-N 2 2 376.504 3.627 20 0 GHADLP C[C@@H]([C@H](Oc1ccccc1)c1ccccc1)[N@@H+](C)Cc1cn2c(n1)C[NH2+]CC2 ZINC001236162202 1041586174 /nfs/dbraw/zinc/58/61/74/1041586174.db2.gz ZHJJIJYWLVBORO-MBSDFSHPSA-N 2 2 376.504 3.627 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214608 1041624172 /nfs/dbraw/zinc/62/41/72/1041624172.db2.gz SKVIHUDKYZDYDS-KXBFYZLASA-N 3 2 385.930 3.727 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214608 1041624184 /nfs/dbraw/zinc/62/41/84/1041624184.db2.gz SKVIHUDKYZDYDS-KXBFYZLASA-N 3 2 385.930 3.727 20 0 GHADLP C[C@H]1CNCC(F)(F)[C@H]1C[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214608 1041624188 /nfs/dbraw/zinc/62/41/88/1041624188.db2.gz SKVIHUDKYZDYDS-KXBFYZLASA-N 2 2 385.930 3.727 20 0 GHADLP C[C@H]1CNCC(F)(F)[C@H]1C[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214608 1041624201 /nfs/dbraw/zinc/62/42/01/1041624201.db2.gz SKVIHUDKYZDYDS-KXBFYZLASA-N 2 2 385.930 3.727 20 0 GHADLP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](C(F)(F)F)C3)cc2)cc1 ZINC001236356969 1041681216 /nfs/dbraw/zinc/68/12/16/1041681216.db2.gz LEDBZBCDHVNUIU-OALUTQOASA-N 2 2 392.421 3.852 20 0 GHADLP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])[C@@H](C(F)(F)F)C3)cc2)cc1 ZINC001236356969 1041681228 /nfs/dbraw/zinc/68/12/28/1041681228.db2.gz LEDBZBCDHVNUIU-OALUTQOASA-N 2 2 392.421 3.852 20 0 GHADLP COc1cc(C[N@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)ccn1 ZINC001236378263 1041689798 /nfs/dbraw/zinc/68/97/98/1041689798.db2.gz UKAKUCOUOHTHBA-UHFFFAOYSA-N 2 2 390.325 3.607 20 0 GHADLP COc1cc(C[N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)ccn1 ZINC001236378263 1041689802 /nfs/dbraw/zinc/68/98/02/1041689802.db2.gz UKAKUCOUOHTHBA-UHFFFAOYSA-N 2 2 390.325 3.607 20 0 GHADLP CC(C)(C)C[N@H+](Cc1ccccc1I)C1CC[NH2+]CC1 ZINC001236456408 1041720765 /nfs/dbraw/zinc/72/07/65/1041720765.db2.gz DOKPKIJXFXUIMK-UHFFFAOYSA-N 2 2 386.321 3.891 20 0 GHADLP CC(C)(C)C[N@@H+](Cc1ccccc1I)C1CC[NH2+]CC1 ZINC001236456408 1041720769 /nfs/dbraw/zinc/72/07/69/1041720769.db2.gz DOKPKIJXFXUIMK-UHFFFAOYSA-N 2 2 386.321 3.891 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc(F)c(O)c4)CC3)C2)cc1 ZINC001236706070 1041844193 /nfs/dbraw/zinc/84/41/93/1041844193.db2.gz RUYUKGQQUWWFRY-UHFFFAOYSA-N 2 2 384.495 3.707 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(F)c(O)c4)CC3)C2)cc1 ZINC001236706070 1041844198 /nfs/dbraw/zinc/84/41/98/1041844198.db2.gz RUYUKGQQUWWFRY-UHFFFAOYSA-N 2 2 384.495 3.707 20 0 GHADLP COc1ccccc1C[N@H+](Cc1c(F)cc(O)cc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236709175 1041846005 /nfs/dbraw/zinc/84/60/05/1041846005.db2.gz FLWBHVURNZJNLA-WKILWMFISA-N 2 2 376.447 3.951 20 0 GHADLP COc1ccccc1C[N@@H+](Cc1c(F)cc(O)cc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236709175 1041846011 /nfs/dbraw/zinc/84/60/11/1041846011.db2.gz FLWBHVURNZJNLA-WKILWMFISA-N 2 2 376.447 3.951 20 0 GHADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Br)cc(OC(F)(F)F)c3)C[C@H]12 ZINC001236826310 1041918445 /nfs/dbraw/zinc/91/84/45/1041918445.db2.gz BSEXCXAULIOWMN-LEWSCRJBSA-N 2 2 379.220 3.517 20 0 GHADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Br)cc(OC(F)(F)F)c3)C[C@H]12 ZINC001236826310 1041918448 /nfs/dbraw/zinc/91/84/48/1041918448.db2.gz BSEXCXAULIOWMN-LEWSCRJBSA-N 2 2 379.220 3.517 20 0 GHADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(-n3cncn3)c2)CC1 ZINC001236883180 1041939312 /nfs/dbraw/zinc/93/93/12/1041939312.db2.gz BXSZPNMNYSDMSX-UHFFFAOYSA-N 2 2 375.520 3.754 20 0 GHADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(-n3cncn3)c2)CC1 ZINC001236883180 1041939315 /nfs/dbraw/zinc/93/93/15/1041939315.db2.gz BXSZPNMNYSDMSX-UHFFFAOYSA-N 2 2 375.520 3.754 20 0 GHADLP O=C1[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C[C@H]2CN1c1ccsc1 ZINC001236905603 1041949460 /nfs/dbraw/zinc/94/94/60/1041949460.db2.gz PCTLHQNKTDHGNJ-RDJZCZTQSA-N 2 2 398.919 3.682 20 0 GHADLP O=C1[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C[C@H]2CN1c1ccsc1 ZINC001236905603 1041949464 /nfs/dbraw/zinc/94/94/64/1041949464.db2.gz PCTLHQNKTDHGNJ-RDJZCZTQSA-N 2 2 398.919 3.682 20 0 GHADLP CN1c2ccccc2[C@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)C1=O ZINC001236905973 1041949977 /nfs/dbraw/zinc/94/99/77/1041949977.db2.gz SNJHONQPKGSWBB-JOCHJYFZSA-N 2 2 392.890 3.646 20 0 GHADLP CN1c2ccccc2[C@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)C1=O ZINC001236905973 1041949981 /nfs/dbraw/zinc/94/99/81/1041949981.db2.gz SNJHONQPKGSWBB-JOCHJYFZSA-N 2 2 392.890 3.646 20 0 GHADLP O=C([C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1)N1CCCCC1 ZINC001236905922 1041950110 /nfs/dbraw/zinc/95/01/10/1041950110.db2.gz RIMOVDZULPTGDD-SFHVURJKSA-N 2 2 386.927 3.750 20 0 GHADLP O=C([C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1)N1CCCCC1 ZINC001236905922 1041950115 /nfs/dbraw/zinc/95/01/15/1041950115.db2.gz RIMOVDZULPTGDD-SFHVURJKSA-N 2 2 386.927 3.750 20 0 GHADLP CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236907062 1041950931 /nfs/dbraw/zinc/95/09/31/1041950931.db2.gz ZIGLFWRFAOVWAQ-NRFANRHFSA-N 2 2 386.927 3.749 20 0 GHADLP CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236907062 1041950936 /nfs/dbraw/zinc/95/09/36/1041950936.db2.gz ZIGLFWRFAOVWAQ-NRFANRHFSA-N 2 2 386.927 3.749 20 0 GHADLP c1ccc(COc2cc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc3c2OCO3)cc1 ZINC001237411575 1042197267 /nfs/dbraw/zinc/19/72/67/1042197267.db2.gz GUZZYXODQLLLIX-WOJBJXKFSA-N 2 2 380.488 3.568 20 0 GHADLP c1ccc(COc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc3c2OCO3)cc1 ZINC001237411575 1042197269 /nfs/dbraw/zinc/19/72/69/1042197269.db2.gz GUZZYXODQLLLIX-WOJBJXKFSA-N 2 2 380.488 3.568 20 0 GHADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001237439191 1042207988 /nfs/dbraw/zinc/20/79/88/1042207988.db2.gz YYHWALUUQCAFFS-ROUUACIJSA-N 2 2 389.544 3.662 20 0 GHADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001237439191 1042207993 /nfs/dbraw/zinc/20/79/93/1042207993.db2.gz YYHWALUUQCAFFS-ROUUACIJSA-N 2 2 389.544 3.662 20 0 GHADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001237439191 1042207999 /nfs/dbraw/zinc/20/79/99/1042207999.db2.gz YYHWALUUQCAFFS-ROUUACIJSA-N 2 2 389.544 3.662 20 0 GHADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001237439191 1042208006 /nfs/dbraw/zinc/20/80/06/1042208006.db2.gz YYHWALUUQCAFFS-ROUUACIJSA-N 2 2 389.544 3.662 20 0 GHADLP COc1c(C)cccc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001237503825 1042239748 /nfs/dbraw/zinc/23/97/48/1042239748.db2.gz ONYCNRGMMRDJQH-FSSWDIPSSA-N 2 2 382.552 3.574 20 0 GHADLP COc1c(C)cccc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001237503825 1042239750 /nfs/dbraw/zinc/23/97/50/1042239750.db2.gz ONYCNRGMMRDJQH-FSSWDIPSSA-N 2 2 382.552 3.574 20 0 GHADLP COc1c(C)cccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001237503825 1042239757 /nfs/dbraw/zinc/23/97/57/1042239757.db2.gz ONYCNRGMMRDJQH-FSSWDIPSSA-N 2 2 382.552 3.574 20 0 GHADLP COc1c(C)cccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001237503825 1042239758 /nfs/dbraw/zinc/23/97/58/1042239758.db2.gz ONYCNRGMMRDJQH-FSSWDIPSSA-N 2 2 382.552 3.574 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)c(OC(C)C)c1)C2 ZINC001238458573 1042602510 /nfs/dbraw/zinc/60/25/10/1042602510.db2.gz RVAQAKSEMUFVGO-REWPJTCUSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)c(OC(C)C)c1)C2 ZINC001238458573 1042602511 /nfs/dbraw/zinc/60/25/11/1042602511.db2.gz RVAQAKSEMUFVGO-REWPJTCUSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(F)c(OC(C)C)c1)C2 ZINC001238458573 1042602514 /nfs/dbraw/zinc/60/25/14/1042602514.db2.gz RVAQAKSEMUFVGO-REWPJTCUSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(F)c(OC(C)C)c1)C2 ZINC001238458573 1042602517 /nfs/dbraw/zinc/60/25/17/1042602517.db2.gz RVAQAKSEMUFVGO-REWPJTCUSA-N 2 2 390.543 3.793 20 0 GHADLP c1cc(-c2ccc([C@H]3CN4CCSC4=[NH+]3)cc2)ccc1C[NH+]1CCOCC1 ZINC001240477715 1042935098 /nfs/dbraw/zinc/93/50/98/1042935098.db2.gz QLLYAVGMMAEMSP-OAQYLSRUSA-N 2 2 379.529 3.645 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)CCN(C)C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256536423 1043480951 /nfs/dbraw/zinc/48/09/51/1043480951.db2.gz GYCYOCROOPMPED-ICSRJNTNSA-N 2 2 375.557 3.838 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)CCN(C)C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256536423 1043480959 /nfs/dbraw/zinc/48/09/59/1043480959.db2.gz GYCYOCROOPMPED-ICSRJNTNSA-N 2 2 375.557 3.838 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)CCN(C)C(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001256536423 1043480968 /nfs/dbraw/zinc/48/09/68/1043480968.db2.gz GYCYOCROOPMPED-ICSRJNTNSA-N 2 2 375.557 3.838 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)CCN(C)C(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001256536423 1043480974 /nfs/dbraw/zinc/48/09/74/1043480974.db2.gz GYCYOCROOPMPED-ICSRJNTNSA-N 2 2 375.557 3.838 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256545575 1043504307 /nfs/dbraw/zinc/50/43/07/1043504307.db2.gz GCCGZOROVLCICB-QFZRFWILSA-N 2 2 395.591 3.764 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)CC[N@H+]1Cc1ccccc1 ZINC001256545575 1043504310 /nfs/dbraw/zinc/50/43/10/1043504310.db2.gz GCCGZOROVLCICB-QFZRFWILSA-N 2 2 395.591 3.764 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)CC[NH+]1Cc1ccccc1 ZINC001256545575 1043504316 /nfs/dbraw/zinc/50/43/16/1043504316.db2.gz GCCGZOROVLCICB-QFZRFWILSA-N 2 2 395.591 3.764 20 0 GHADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)CC[NH+]1Cc1ccccc1 ZINC001256545575 1043504320 /nfs/dbraw/zinc/50/43/20/1043504320.db2.gz GCCGZOROVLCICB-QFZRFWILSA-N 2 2 395.591 3.764 20 0 GHADLP Cc1cc(O[C@@H]2CCC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)ncn1 ZINC001256552257 1043516443 /nfs/dbraw/zinc/51/64/43/1043516443.db2.gz ABBUZCSANKTMFK-CEMLEFRQSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cc(O[C@@H]2CCC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)ncn1 ZINC001256552257 1043516446 /nfs/dbraw/zinc/51/64/46/1043516446.db2.gz ABBUZCSANKTMFK-CEMLEFRQSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)ncn1 ZINC001256552257 1043516452 /nfs/dbraw/zinc/51/64/52/1043516452.db2.gz ABBUZCSANKTMFK-CEMLEFRQSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)ncn1 ZINC001256552257 1043516454 /nfs/dbraw/zinc/51/64/54/1043516454.db2.gz ABBUZCSANKTMFK-CEMLEFRQSA-N 2 2 380.536 3.681 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC2(C[NH+](C3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001256605938 1043569618 /nfs/dbraw/zinc/56/96/18/1043569618.db2.gz NHTUUFZUSQGAEF-UHFFFAOYSA-N 2 2 399.579 3.984 20 0 GHADLP CN(C(=O)c1ccccc1)C1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256613180 1043577386 /nfs/dbraw/zinc/57/73/86/1043577386.db2.gz XZKNODYBJRAEES-UHFFFAOYSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@H](Cc1ccncc1)[NH2+]C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001256723773 1043637218 /nfs/dbraw/zinc/63/72/18/1043637218.db2.gz GGHHAIMBZOEEMB-BWKNWUBXSA-N 2 2 389.543 3.666 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)cs1 ZINC001256790076 1043653762 /nfs/dbraw/zinc/65/37/62/1043653762.db2.gz PGDWYVWSSJVUMN-IEBWSBKVSA-N 2 2 391.606 3.948 20 0 GHADLP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001257037995 1043813859 /nfs/dbraw/zinc/81/38/59/1043813859.db2.gz FOJDGARYDZHOQN-WMLDXEAASA-N 2 2 384.442 3.687 20 0 GHADLP CCC[NH+]1CCN(C(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001292800016 1043882359 /nfs/dbraw/zinc/88/23/59/1043882359.db2.gz RLQGLWSDVYJQCH-QHCPKHFHSA-N 2 2 397.538 3.581 20 0 GHADLP CC(C)[NH+]1CCC([NH2+]Cc2cncn2Cc2ccccc2C(F)(F)F)CC1 ZINC001257211473 1043937859 /nfs/dbraw/zinc/93/78/59/1043937859.db2.gz LXBAMSBWSLCFSM-UHFFFAOYSA-N 2 2 380.458 3.913 20 0 GHADLP CC(C)[NH+]1CCC([N@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)CC1 ZINC001257215286 1043940259 /nfs/dbraw/zinc/94/02/59/1043940259.db2.gz CRVLEZBVJWSIQW-UHFFFAOYSA-N 2 2 398.576 3.669 20 0 GHADLP CC(C)[NH+]1CCC([N@@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)CC1 ZINC001257215286 1043940261 /nfs/dbraw/zinc/94/02/61/1043940261.db2.gz CRVLEZBVJWSIQW-UHFFFAOYSA-N 2 2 398.576 3.669 20 0 GHADLP CCCCOC(=O)CC[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001257380554 1043976472 /nfs/dbraw/zinc/97/64/72/1043976472.db2.gz CGGICXDMASVJSO-SFHVURJKSA-N 2 2 376.541 3.761 20 0 GHADLP C[C@H]1CC([NH2+]CC2C[NH+](Cc3ccccc3)C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257571566 1044059374 /nfs/dbraw/zinc/05/93/74/1044059374.db2.gz LCDYDOIAFBXZDZ-ROUUACIJSA-N 2 2 387.568 3.885 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)C2 ZINC001257808065 1044190337 /nfs/dbraw/zinc/19/03/37/1044190337.db2.gz VVKHDGAPVWMYMM-KGVIQGDOSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)C2 ZINC001257808065 1044190347 /nfs/dbraw/zinc/19/03/47/1044190347.db2.gz VVKHDGAPVWMYMM-KGVIQGDOSA-N 2 2 377.573 3.773 20 0 GHADLP C[C@@H]1C[NH+](CCc2nnc([C@H](c3ccccc3)[NH+]3CCCCCC3)o2)C[C@@H](C)O1 ZINC001258080517 1044386820 /nfs/dbraw/zinc/38/68/20/1044386820.db2.gz JPULWLNRMWKCJU-KNKQGSTJSA-N 2 2 398.551 3.687 20 0 GHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258589086 1044661734 /nfs/dbraw/zinc/66/17/34/1044661734.db2.gz ARPVEIIWFCYOPO-JOCHJYFZSA-N 2 2 388.515 3.885 20 0 GHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258589086 1044661739 /nfs/dbraw/zinc/66/17/39/1044661739.db2.gz ARPVEIIWFCYOPO-JOCHJYFZSA-N 2 2 388.515 3.885 20 0 GHADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258595158 1044664449 /nfs/dbraw/zinc/66/44/49/1044664449.db2.gz YYWOIOTVZPGVMO-JOCHJYFZSA-N 2 2 383.580 3.907 20 0 GHADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258595158 1044664458 /nfs/dbraw/zinc/66/44/58/1044664458.db2.gz YYWOIOTVZPGVMO-JOCHJYFZSA-N 2 2 383.580 3.907 20 0 GHADLP CCCCC[C@@H](CCC)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001258673981 1044704764 /nfs/dbraw/zinc/70/47/64/1044704764.db2.gz QLKXCQGSFJICDP-JOCHJYFZSA-N 3 2 392.676 3.912 20 0 GHADLP CCCC[C@H](Cc1ccccc1)[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001258712820 1044731252 /nfs/dbraw/zinc/73/12/52/1044731252.db2.gz YIUCUCJVUHHCOS-OAQYLSRUSA-N 2 2 377.536 3.788 20 0 GHADLP CCCC[C@H](Cc1ccccc1)[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001258712820 1044731267 /nfs/dbraw/zinc/73/12/67/1044731267.db2.gz YIUCUCJVUHHCOS-OAQYLSRUSA-N 2 2 377.536 3.788 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)CC1 ZINC001258773053 1044758193 /nfs/dbraw/zinc/75/81/93/1044758193.db2.gz DPEMDVJCJRXWMX-UHFFFAOYSA-N 2 2 389.609 3.941 20 0 GHADLP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)C1 ZINC001297179068 1045469997 /nfs/dbraw/zinc/46/99/97/1045469997.db2.gz WCMADBSMVMCNAU-UYAOXDASSA-N 2 2 388.943 3.686 20 0 GHADLP Cc1cc(NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)ccc1OCC[NH+](C)C ZINC001299149132 1046019471 /nfs/dbraw/zinc/01/94/71/1046019471.db2.gz PNOGIONIOOZPLT-KDURUIRLSA-N 2 2 396.535 3.940 20 0 GHADLP CC(C)c1csc([C@H]2CCC[N@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)C2)n1 ZINC000607755549 1047359782 /nfs/dbraw/zinc/35/97/82/1047359782.db2.gz RQDYICVLXMHKEP-VQTJNVASSA-N 2 2 387.593 3.939 20 0 GHADLP CC(C)c1csc([C@H]2CCC[N@@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)C2)n1 ZINC000607755549 1047359788 /nfs/dbraw/zinc/35/97/88/1047359788.db2.gz RQDYICVLXMHKEP-VQTJNVASSA-N 2 2 387.593 3.939 20 0 GHADLP CC(C)c1csc([C@H]2CCC[NH+](C[C@H](O)C[N@H+](C)Cc3ccccc3)C2)n1 ZINC000607755549 1047359798 /nfs/dbraw/zinc/35/97/98/1047359798.db2.gz RQDYICVLXMHKEP-VQTJNVASSA-N 2 2 387.593 3.939 20 0 GHADLP CC(C)c1csc([C@H]2CCC[NH+](C[C@H](O)C[N@@H+](C)Cc3ccccc3)C2)n1 ZINC000607755549 1047359809 /nfs/dbraw/zinc/35/98/09/1047359809.db2.gz RQDYICVLXMHKEP-VQTJNVASSA-N 2 2 387.593 3.939 20 0 GHADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000598036085 1047490183 /nfs/dbraw/zinc/49/01/83/1047490183.db2.gz UCPZGXCOSMUINV-CABCVRRESA-N 2 2 384.307 3.575 20 0 GHADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000598036085 1047490185 /nfs/dbraw/zinc/49/01/85/1047490185.db2.gz UCPZGXCOSMUINV-CABCVRRESA-N 2 2 384.307 3.575 20 0 GHADLP CCn1ccnc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cnc(Cl)s3)(C1)CCC2 ZINC001279277986 1047754667 /nfs/dbraw/zinc/75/46/67/1047754667.db2.gz QTHWHJYFOUCEOB-MSOLQXFVSA-N 2 2 379.961 3.738 20 0 GHADLP Fc1cc(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c(F)cc1Cl ZINC001279302753 1047760694 /nfs/dbraw/zinc/76/06/94/1047760694.db2.gz NPRUZFVSIFBCDJ-UHFFFAOYSA-N 2 2 380.870 3.829 20 0 GHADLP Fc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c(F)cc1Cl ZINC001279302753 1047760701 /nfs/dbraw/zinc/76/07/01/1047760701.db2.gz NPRUZFVSIFBCDJ-UHFFFAOYSA-N 2 2 380.870 3.829 20 0 GHADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(F)ccc3I)(C1)CCC2 ZINC001279344258 1047775193 /nfs/dbraw/zinc/77/51/93/1047775193.db2.gz QQMRKKHCCLHPLU-JKSUJKDBSA-N 2 2 388.268 3.585 20 0 GHADLP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501768 1047826550 /nfs/dbraw/zinc/82/65/50/1047826550.db2.gz JKQCSJSALKWNLA-RBUKOAKNSA-N 3 2 375.523 3.849 20 0 GHADLP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501768 1047826554 /nfs/dbraw/zinc/82/65/54/1047826554.db2.gz JKQCSJSALKWNLA-RBUKOAKNSA-N 3 2 375.523 3.849 20 0 GHADLP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501768 1047826557 /nfs/dbraw/zinc/82/65/57/1047826557.db2.gz JKQCSJSALKWNLA-RBUKOAKNSA-N 3 2 375.523 3.849 20 0 GHADLP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501768 1047826561 /nfs/dbraw/zinc/82/65/61/1047826561.db2.gz JKQCSJSALKWNLA-RBUKOAKNSA-N 3 2 375.523 3.849 20 0 GHADLP C[NH+](C)CCN1CCC2(C1)CC[NH+](Cc1cc3sccc3nc1Cl)CC2 ZINC001279672291 1047908888 /nfs/dbraw/zinc/90/88/88/1047908888.db2.gz NYODUQQFEITHCP-UHFFFAOYSA-N 2 2 393.000 3.799 20 0 GHADLP Brc1cscc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001279707591 1047925488 /nfs/dbraw/zinc/92/54/88/1047925488.db2.gz CLDWBCBPATWZIL-SJORKVTESA-N 2 2 395.370 3.959 20 0 GHADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)ccc1SC ZINC001280156937 1048109887 /nfs/dbraw/zinc/10/98/87/1048109887.db2.gz QLDAYGNDZMNDMZ-AYHJJNSGSA-N 2 2 384.973 3.767 20 0 GHADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccc1SC ZINC001280156937 1048109891 /nfs/dbraw/zinc/10/98/91/1048109891.db2.gz QLDAYGNDZMNDMZ-AYHJJNSGSA-N 2 2 384.973 3.767 20 0 GHADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC001306883734 1048943485 /nfs/dbraw/zinc/94/34/85/1048943485.db2.gz CUALCCKLYMPGPN-CVDCTZTESA-N 2 2 395.547 3.640 20 0 GHADLP CCc1c[nH]c2nc[nH+]c(N[C@@H](CC)[C@H]3C[N@H+](Cc4ccccc4)CCO3)c12 ZINC001306991943 1048995376 /nfs/dbraw/zinc/99/53/76/1048995376.db2.gz MFJGRKSIUHUBIF-RBUKOAKNSA-N 2 2 379.508 3.612 20 0 GHADLP CCc1c[nH]c2nc[nH+]c(N[C@@H](CC)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)c12 ZINC001306991943 1048995377 /nfs/dbraw/zinc/99/53/77/1048995377.db2.gz MFJGRKSIUHUBIF-RBUKOAKNSA-N 2 2 379.508 3.612 20 0 GHADLP c1ccc(C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]2CCCO2)cc1 ZINC001307430869 1049266786 /nfs/dbraw/zinc/26/67/86/1049266786.db2.gz OLSGFSXGZJIXNJ-RUZDIDTESA-N 2 2 393.575 3.880 20 0 GHADLP c1ccc(C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]2CCCO2)cc1 ZINC001307430869 1049266797 /nfs/dbraw/zinc/26/67/97/1049266797.db2.gz OLSGFSXGZJIXNJ-RUZDIDTESA-N 2 2 393.575 3.880 20 0 GHADLP CC[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)[C@@H]1CC1(C)C ZINC001307851955 1049633838 /nfs/dbraw/zinc/63/38/38/1049633838.db2.gz GXUDZZUZZYUUBX-DLBZAZTESA-N 2 2 378.586 3.728 20 0 GHADLP CC[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)[C@H]1CC1(C)C ZINC001307851957 1049634230 /nfs/dbraw/zinc/63/42/30/1049634230.db2.gz GXUDZZUZZYUUBX-IAGOWNOFSA-N 2 2 378.586 3.728 20 0 GHADLP CC1(C)CCC[C@@](CO)([NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001307941662 1049712754 /nfs/dbraw/zinc/71/27/54/1049712754.db2.gz PMUQIIDPYJHQIO-JOCHJYFZSA-N 2 2 394.003 3.773 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH+](CC3CC3)CC3CC3)CC2)cc1 ZINC001307947370 1049716202 /nfs/dbraw/zinc/71/62/02/1049716202.db2.gz PWKVGVVGZRIXOD-UHFFFAOYSA-N 2 2 383.580 3.576 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001308035096 1049785779 /nfs/dbraw/zinc/78/57/79/1049785779.db2.gz RXWKUFKIHQNJFD-AZUAARDMSA-N 2 2 384.524 3.861 20 0 GHADLP OC1(C[NH+]2CCCCC2)CC[NH+](Cc2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC001308149405 1049887302 /nfs/dbraw/zinc/88/73/02/1049887302.db2.gz DHTKBLUWMMBXDF-UHFFFAOYSA-N 2 2 392.412 3.796 20 0 GHADLP Fc1cc(OC(F)F)ccc1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001308198549 1049909954 /nfs/dbraw/zinc/90/99/54/1049909954.db2.gz WPPBUMVIRPDDPM-UHFFFAOYSA-N 2 2 393.453 3.729 20 0 GHADLP C[C@@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC001308230680 1049920337 /nfs/dbraw/zinc/92/03/37/1049920337.db2.gz CMEGCHXXBFOEFA-LSDHHAIUSA-N 2 2 381.483 3.542 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1ccc(F)cc1 ZINC001308387980 1049964326 /nfs/dbraw/zinc/96/43/26/1049964326.db2.gz GMYQCDCNRXPNQW-LJQANCHMSA-N 2 2 389.858 3.578 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1c(Oc2ccc(F)cc2)nc2ccccn21 ZINC001308745295 1050078816 /nfs/dbraw/zinc/07/88/16/1050078816.db2.gz VTEJVTFGJAOHEW-UHFFFAOYSA-N 2 2 379.439 3.984 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1c(Oc2ccc(F)cc2)nc2ccccn21 ZINC001308745295 1050078823 /nfs/dbraw/zinc/07/88/23/1050078823.db2.gz VTEJVTFGJAOHEW-UHFFFAOYSA-N 2 2 379.439 3.984 20 0 GHADLP CO[C@H](CC(C)C)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001308745051 1050079004 /nfs/dbraw/zinc/07/90/04/1050079004.db2.gz RSTLKUVOZSXBRO-MRXNPFEDSA-N 2 2 384.318 3.802 20 0 GHADLP CO[C@H](CC(C)C)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001308745051 1050079010 /nfs/dbraw/zinc/07/90/10/1050079010.db2.gz RSTLKUVOZSXBRO-MRXNPFEDSA-N 2 2 384.318 3.802 20 0 GHADLP CC[N@@H+]1CCC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC001308897515 1050146137 /nfs/dbraw/zinc/14/61/37/1050146137.db2.gz LRJRVDLFXBXDTL-ZKMPZPQNSA-N 2 2 393.575 3.737 20 0 GHADLP CC[N@H+]1CCC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC001308897515 1050146146 /nfs/dbraw/zinc/14/61/46/1050146146.db2.gz LRJRVDLFXBXDTL-ZKMPZPQNSA-N 2 2 393.575 3.737 20 0 GHADLP CC[NH+]1CCC[C@H](N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC001308897515 1050146153 /nfs/dbraw/zinc/14/61/53/1050146153.db2.gz LRJRVDLFXBXDTL-ZKMPZPQNSA-N 2 2 393.575 3.737 20 0 GHADLP CC[NH+]1CCC[C@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC001308897515 1050146158 /nfs/dbraw/zinc/14/61/58/1050146158.db2.gz LRJRVDLFXBXDTL-ZKMPZPQNSA-N 2 2 393.575 3.737 20 0 GHADLP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001308897065 1050146755 /nfs/dbraw/zinc/14/67/55/1050146755.db2.gz HDPRSZOGYPWOAB-JXFKEZNVSA-N 2 2 386.923 3.984 20 0 GHADLP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001308897065 1050146761 /nfs/dbraw/zinc/14/67/61/1050146761.db2.gz HDPRSZOGYPWOAB-JXFKEZNVSA-N 2 2 386.923 3.984 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c(C(F)(F)F)c1 ZINC001308919087 1050169757 /nfs/dbraw/zinc/16/97/57/1050169757.db2.gz UBXGXMXDJXYFJL-AWEZNQCLSA-N 2 2 393.409 3.598 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c(C(F)(F)F)c1 ZINC001308919087 1050169768 /nfs/dbraw/zinc/16/97/68/1050169768.db2.gz UBXGXMXDJXYFJL-AWEZNQCLSA-N 2 2 393.409 3.598 20 0 GHADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC001308922601 1050175827 /nfs/dbraw/zinc/17/58/27/1050175827.db2.gz SZQPPTZBBKIBQW-UHFFFAOYSA-N 2 2 381.314 3.520 20 0 GHADLP Cc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(C)n1C[C@@H]1CCCOC1 ZINC001329291049 1050771253 /nfs/dbraw/zinc/77/12/53/1050771253.db2.gz VISGYRBDMXPKHT-SFHVURJKSA-N 2 2 393.491 3.673 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC001331789697 1051374628 /nfs/dbraw/zinc/37/46/28/1051374628.db2.gz DHZVEHRSFWLUOT-CQSZACIVSA-N 2 2 385.405 3.955 20 0 GHADLP Cc1ccc(-c2ccc(Cl)cc2NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)o1 ZINC001310664413 1051517406 /nfs/dbraw/zinc/51/74/06/1051517406.db2.gz FCCHVOVGAGSYEV-UHFFFAOYSA-N 2 2 392.931 3.913 20 0 GHADLP Cc1ccc(-c2ccc(Cl)cc2NC(=O)NCC[N@H+](C)CCC[NH+](C)C)o1 ZINC001310664413 1051517419 /nfs/dbraw/zinc/51/74/19/1051517419.db2.gz FCCHVOVGAGSYEV-UHFFFAOYSA-N 2 2 392.931 3.913 20 0 GHADLP Cc1cccc(Oc2cccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2)c1 ZINC001311140534 1051899584 /nfs/dbraw/zinc/89/95/84/1051899584.db2.gz VLZOTYRDFYLMKW-UHFFFAOYSA-N 2 2 384.524 3.792 20 0 GHADLP Cc1cccc(Oc2cccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c2)c1 ZINC001311140534 1051899586 /nfs/dbraw/zinc/89/95/86/1051899586.db2.gz VLZOTYRDFYLMKW-UHFFFAOYSA-N 2 2 384.524 3.792 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@H](O)c2ccccc2Br)[nH+]1 ZINC001335414053 1052095674 /nfs/dbraw/zinc/09/56/74/1052095674.db2.gz VGGINUVZHANKGG-YJBOKZPZSA-N 2 2 390.325 3.762 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@H](O)c2ccccc2Br)[nH+]1 ZINC001335414053 1052095688 /nfs/dbraw/zinc/09/56/88/1052095688.db2.gz VGGINUVZHANKGG-YJBOKZPZSA-N 2 2 390.325 3.762 20 0 GHADLP C[C@H](OC1CCCCC1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001320014085 1055597135 /nfs/dbraw/zinc/59/71/35/1055597135.db2.gz OUZSEELWJWZQST-NYVOZVTQSA-N 2 2 393.616 3.520 20 0 GHADLP C[C@H](OC1CCCCC1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001320014085 1055597142 /nfs/dbraw/zinc/59/71/42/1055597142.db2.gz OUZSEELWJWZQST-NYVOZVTQSA-N 2 2 393.616 3.520 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCCCCNC(=O)OC(C)(C)C ZINC001320634554 1055910344 /nfs/dbraw/zinc/91/03/44/1055910344.db2.gz GJRAEFZGLYOXKF-UHFFFAOYSA-N 2 2 387.484 3.599 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001322403263 1056679220 /nfs/dbraw/zinc/67/92/20/1056679220.db2.gz YPXAZDYZOSLCRJ-GOSISDBHSA-N 2 2 375.520 3.797 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1nc(-c2cccs2)oc1C ZINC001322847245 1056865213 /nfs/dbraw/zinc/86/52/13/1056865213.db2.gz SFLBXXMYFAJUNU-UHFFFAOYSA-N 2 2 379.445 3.782 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccn(-c2ccccc2Cl)n1 ZINC001322846474 1056865751 /nfs/dbraw/zinc/86/57/51/1056865751.db2.gz NBIDCTULTZPNBX-UHFFFAOYSA-N 2 2 378.823 3.667 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 ZINC001322869636 1056873208 /nfs/dbraw/zinc/87/32/08/1056873208.db2.gz RQZICTGBZHUNJZ-UHFFFAOYSA-N 2 2 377.448 3.620 20 0 GHADLP CC(C)C[C@@H](C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)NC(=O)OC(C)(C)C ZINC001323251482 1056944436 /nfs/dbraw/zinc/94/44/36/1056944436.db2.gz GDMZGJQGGCNSMA-MSOLQXFVSA-N 2 2 378.561 3.614 20 0 GHADLP CC(C)C[C@@H](C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)NC(=O)OC(C)(C)C ZINC001323251482 1056944437 /nfs/dbraw/zinc/94/44/37/1056944437.db2.gz GDMZGJQGGCNSMA-MSOLQXFVSA-N 2 2 378.561 3.614 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2-n2cncn2)[nH+]1 ZINC001326892778 1057570148 /nfs/dbraw/zinc/57/01/48/1057570148.db2.gz VVFLGOUFHYLSGY-SFHVURJKSA-N 2 2 382.899 3.701 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2-n2cncn2)[nH+]1 ZINC001326892778 1057570155 /nfs/dbraw/zinc/57/01/55/1057570155.db2.gz VVFLGOUFHYLSGY-SFHVURJKSA-N 2 2 382.899 3.701 20 0 GHADLP CC(C)[C@H](CNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)[NH+]1CCC(C)CC1 ZINC001441341066 1058754437 /nfs/dbraw/zinc/75/44/37/1058754437.db2.gz JNOULIVPULRIKI-HBMCJLEFSA-N 2 2 386.584 3.925 20 0 GHADLP CN(C(=O)/C=C/c1cc(Cl)cc(Cl)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001338921482 1058883913 /nfs/dbraw/zinc/88/39/13/1058883913.db2.gz CIKQTMOGZJPTSB-RTLBZRNLSA-N 2 2 396.362 3.634 20 0 GHADLP CN(C(=O)/C=C/c1cc(Cl)cc(Cl)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001338921482 1058883936 /nfs/dbraw/zinc/88/39/36/1058883936.db2.gz CIKQTMOGZJPTSB-RTLBZRNLSA-N 2 2 396.362 3.634 20 0 GHADLP Cc1cc(N2CCN(c3ccccc3OCC[NH+](C)C)CC2)[nH+]c2ccccc12 ZINC001339328545 1059110629 /nfs/dbraw/zinc/11/06/29/1059110629.db2.gz WCPZCAIESHMJRE-UHFFFAOYSA-N 2 2 390.531 3.810 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccccc1OCc1ccncc1 ZINC001444201671 1059281194 /nfs/dbraw/zinc/28/11/94/1059281194.db2.gz AJPMMJWPOHLMCS-UHFFFAOYSA-N 2 2 399.454 3.731 20 0 GHADLP CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001340142683 1059720849 /nfs/dbraw/zinc/72/08/49/1059720849.db2.gz LJDDWODDBOFQMI-FPOVZHCZSA-N 2 2 398.599 3.659 20 0 GHADLP CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001340142683 1059720869 /nfs/dbraw/zinc/72/08/69/1059720869.db2.gz LJDDWODDBOFQMI-FPOVZHCZSA-N 2 2 398.599 3.659 20 0 GHADLP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC001449357158 1060388611 /nfs/dbraw/zinc/38/86/11/1060388611.db2.gz RMDYHYBKEYSXEL-NRFANRHFSA-N 2 2 389.609 3.501 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)C1 ZINC001342079600 1061044755 /nfs/dbraw/zinc/04/47/55/1061044755.db2.gz KVENAHPYTCCKAD-IEBWSBKVSA-N 2 2 394.519 3.660 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)CCc2[nH+]ccn2C)cc1)C[C@@H]1CCCCO1 ZINC001346734315 1061837428 /nfs/dbraw/zinc/83/74/28/1061837428.db2.gz GSQVGXPAAWBIEH-NRFANRHFSA-N 2 2 398.551 3.771 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)CCc2[nH+]ccn2C)cc1)C[C@@H]1CCCCO1 ZINC001346734315 1061837448 /nfs/dbraw/zinc/83/74/48/1061837448.db2.gz GSQVGXPAAWBIEH-NRFANRHFSA-N 2 2 398.551 3.771 20 0 GHADLP CCNc1cc(CNC(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001346810980 1061910329 /nfs/dbraw/zinc/91/03/29/1061910329.db2.gz VIOFGGMYHXPSFR-NRFANRHFSA-N 2 2 395.551 3.567 20 0 GHADLP CCNc1cc(CNC(=O)N(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001346810980 1061910330 /nfs/dbraw/zinc/91/03/30/1061910330.db2.gz VIOFGGMYHXPSFR-NRFANRHFSA-N 2 2 395.551 3.567 20 0 GHADLP Cn1cc[nH+]c1CCC(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001347763704 1062639793 /nfs/dbraw/zinc/63/97/93/1062639793.db2.gz GZFOGJKLEJIACX-UHFFFAOYSA-N 2 2 380.414 3.606 20 0 GHADLP C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3ccccc3-c3[nH+]cc4n3CCCC4)C[N@@H+]2C1 ZINC001348588600 1063231495 /nfs/dbraw/zinc/23/14/95/1063231495.db2.gz FHVIGKKWIWJGNP-SQNIBIBYSA-N 2 2 378.520 3.945 20 0 GHADLP C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3ccccc3-c3[nH+]cc4n3CCCC4)C[N@H+]2C1 ZINC001348588600 1063231516 /nfs/dbraw/zinc/23/15/16/1063231516.db2.gz FHVIGKKWIWJGNP-SQNIBIBYSA-N 2 2 378.520 3.945 20 0 GHADLP Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001458873357 1063953679 /nfs/dbraw/zinc/95/36/79/1063953679.db2.gz GKRWLOGXRNKBHY-UARRHKHWSA-N 2 2 397.607 3.894 20 0 GHADLP Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001458873357 1063953683 /nfs/dbraw/zinc/95/36/83/1063953683.db2.gz GKRWLOGXRNKBHY-UARRHKHWSA-N 2 2 397.607 3.894 20 0 GHADLP CN1CC[N@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)Cc2ccccc21 ZINC001459422600 1064095032 /nfs/dbraw/zinc/09/50/32/1064095032.db2.gz BQPVVMIUWRTUEW-UHFFFAOYSA-N 2 2 398.982 3.804 20 0 GHADLP CN1CC[N@@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)Cc2ccccc21 ZINC001459422600 1064095036 /nfs/dbraw/zinc/09/50/36/1064095036.db2.gz BQPVVMIUWRTUEW-UHFFFAOYSA-N 2 2 398.982 3.804 20 0 GHADLP COc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3CNc3cccc(C)[nH+]3)o2)c1 ZINC001459750418 1064199877 /nfs/dbraw/zinc/19/98/77/1064199877.db2.gz UEXMCUJRDOSKAM-KRWDZBQOSA-N 2 2 379.464 3.525 20 0 GHADLP COc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3CNc3cccc(C)[nH+]3)o2)c1 ZINC001459750418 1064199881 /nfs/dbraw/zinc/19/98/81/1064199881.db2.gz UEXMCUJRDOSKAM-KRWDZBQOSA-N 2 2 379.464 3.525 20 0 GHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cc2)C1 ZINC001464212970 1064909953 /nfs/dbraw/zinc/90/99/53/1064909953.db2.gz QVEHURSQDGCGAZ-IRXDYDNUSA-N 2 2 376.504 3.971 20 0 GHADLP CC(C)(C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccccc1F ZINC001200002852 1064987020 /nfs/dbraw/zinc/98/70/20/1064987020.db2.gz YXNTXCHUIXGHRX-UHFFFAOYSA-N 2 2 386.511 3.604 20 0 GHADLP CN(C(=O)C/C=C/Cc1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001466644500 1066229935 /nfs/dbraw/zinc/22/99/35/1066229935.db2.gz ZACLYBWFNDVKIF-FKIJPYOHSA-N 2 2 397.607 3.971 20 0 GHADLP CN(C(=O)C/C=C/Cc1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001466644500 1066229956 /nfs/dbraw/zinc/22/99/56/1066229956.db2.gz ZACLYBWFNDVKIF-FKIJPYOHSA-N 2 2 397.607 3.971 20 0 GHADLP C[C@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC001357800074 1067278774 /nfs/dbraw/zinc/27/87/74/1067278774.db2.gz ZZJUQJJJUQDFNG-IERDGZPVSA-N 2 2 385.939 3.506 20 0 GHADLP C[C@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC001357800074 1067278785 /nfs/dbraw/zinc/27/87/85/1067278785.db2.gz ZZJUQJJJUQDFNG-IERDGZPVSA-N 2 2 385.939 3.506 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)s1 ZINC001467865309 1067505720 /nfs/dbraw/zinc/50/57/20/1067505720.db2.gz QWCUAHZLYMRJJY-QUCCMNQESA-N 2 2 388.581 3.821 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)s1 ZINC001467865309 1067505728 /nfs/dbraw/zinc/50/57/28/1067505728.db2.gz QWCUAHZLYMRJJY-QUCCMNQESA-N 2 2 388.581 3.821 20 0 GHADLP Brc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(Br)s1 ZINC001474166823 1067588667 /nfs/dbraw/zinc/58/86/67/1067588667.db2.gz ADBBKLWRRQVCTD-MRVPVSSYSA-N 2 2 391.132 3.643 20 0 GHADLP Cc1cccc(C(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2cccc(C)c2)c1 ZINC001478119642 1078727899 /nfs/dbraw/zinc/72/78/99/1078727899.db2.gz QWKDCYQZJJZOFT-UHFFFAOYSA-N 2 2 396.579 3.576 20 0 GHADLP Cc1cccc(C(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c2cccc(C)c2)c1 ZINC001478119642 1078727907 /nfs/dbraw/zinc/72/79/07/1078727907.db2.gz QWKDCYQZJJZOFT-UHFFFAOYSA-N 2 2 396.579 3.576 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC(C)(C)[C@H]4CCC[C@H]43)CC2)cc1 ZINC001460895885 1069260758 /nfs/dbraw/zinc/26/07/58/1069260758.db2.gz MRWHXFRLYVUKJB-XZOQPEGZSA-N 2 2 397.607 3.965 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CC(C)(C)[C@H]4CCC[C@H]43)CC2)cc1 ZINC001460895885 1069260766 /nfs/dbraw/zinc/26/07/66/1069260766.db2.gz MRWHXFRLYVUKJB-XZOQPEGZSA-N 2 2 397.607 3.965 20 0 GHADLP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC001471571098 1073140969 /nfs/dbraw/zinc/14/09/69/1073140969.db2.gz JSXYYPAJUSBNQK-JOCHJYFZSA-N 2 2 399.579 3.527 20 0 GHADLP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC001471571098 1073140982 /nfs/dbraw/zinc/14/09/82/1073140982.db2.gz JSXYYPAJUSBNQK-JOCHJYFZSA-N 2 2 399.579 3.527 20 0 GHADLP Cc1[nH]c([C@@H]2CCCN2C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)[nH+]c1C ZINC001471860026 1073235110 /nfs/dbraw/zinc/23/51/10/1073235110.db2.gz IIDNGKSCNIFRFJ-SFTDATJTSA-N 2 2 380.536 3.645 20 0 GHADLP Cc1[nH]c([C@@H]2CCCN2C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)[nH+]c1C ZINC001471860026 1073235116 /nfs/dbraw/zinc/23/51/16/1073235116.db2.gz IIDNGKSCNIFRFJ-SFTDATJTSA-N 2 2 380.536 3.645 20 0 GHADLP CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001473195685 1073847368 /nfs/dbraw/zinc/84/73/68/1073847368.db2.gz ZTSILZVDOVNKSI-QFIPXVFZSA-N 2 2 399.604 3.654 20 0 GHADLP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001473195685 1073847376 /nfs/dbraw/zinc/84/73/76/1073847376.db2.gz ZTSILZVDOVNKSI-QFIPXVFZSA-N 2 2 399.604 3.654 20 0 GHADLP CC(C)OC1CC[NH+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001473198086 1073850385 /nfs/dbraw/zinc/85/03/85/1073850385.db2.gz RMMHTEHQEBYDAO-UHFFFAOYSA-N 2 2 379.976 3.742 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)CCOC(=O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001473206582 1073860342 /nfs/dbraw/zinc/86/03/42/1073860342.db2.gz SNCQQYXZIQWSKB-OFNKIYASSA-N 2 2 380.532 3.757 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)CCOC(=O)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001473206582 1073860363 /nfs/dbraw/zinc/86/03/63/1073860363.db2.gz SNCQQYXZIQWSKB-OFNKIYASSA-N 2 2 380.532 3.757 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)CCOC(=O)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001473206582 1073860373 /nfs/dbraw/zinc/86/03/73/1073860373.db2.gz SNCQQYXZIQWSKB-OFNKIYASSA-N 2 2 380.532 3.757 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)CCOC(=O)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001473206582 1073860387 /nfs/dbraw/zinc/86/03/87/1073860387.db2.gz SNCQQYXZIQWSKB-OFNKIYASSA-N 2 2 380.532 3.757 20 0 GHADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCN(c2ccccc2)C1 ZINC001473211327 1073862694 /nfs/dbraw/zinc/86/26/94/1073862694.db2.gz XLTVQOFVUJICEJ-DEOSSOPVSA-N 2 2 379.548 3.620 20 0 GHADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCN(c2ccccc2)C1 ZINC001473211327 1073862710 /nfs/dbraw/zinc/86/27/10/1073862710.db2.gz XLTVQOFVUJICEJ-DEOSSOPVSA-N 2 2 379.548 3.620 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC001473550992 1074012500 /nfs/dbraw/zinc/01/25/00/1074012500.db2.gz ATJBGKABSQPRFV-ZEQRLZLVSA-N 2 2 396.575 3.753 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC001473550992 1074012507 /nfs/dbraw/zinc/01/25/07/1074012507.db2.gz ATJBGKABSQPRFV-ZEQRLZLVSA-N 2 2 396.575 3.753 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+]3CC(C)(C)[C@H]4CCC[C@H]43)n2)CC1 ZINC001473862738 1074179847 /nfs/dbraw/zinc/17/98/47/1074179847.db2.gz LTEREERPGKPTJX-ZWKOTPCHSA-N 2 2 390.597 3.824 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+]3CC(C)(C)[C@H]4CCC[C@H]43)n2)CC1 ZINC001473862738 1074179849 /nfs/dbraw/zinc/17/98/49/1074179849.db2.gz LTEREERPGKPTJX-ZWKOTPCHSA-N 2 2 390.597 3.824 20 0 GHADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cnc(C3CCCC3)s2)c2ccccc2)CC1 ZINC001473976671 1074223863 /nfs/dbraw/zinc/22/38/63/1074223863.db2.gz YQJOJOMVFVULJR-OAQYLSRUSA-N 2 2 384.593 3.879 20 0 GHADLP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)cn1 ZINC001473995005 1074228950 /nfs/dbraw/zinc/22/89/50/1074228950.db2.gz BCISZZBAJNVDSE-CYBMUJFWSA-N 2 2 380.439 3.698 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(OC(F)F)cc3F)[nH+]c2)C1 ZINC001474076657 1074256028 /nfs/dbraw/zinc/25/60/28/1074256028.db2.gz DYAMVMIDKQKZAC-HNNXBMFYSA-N 2 2 380.414 3.575 20 0 GHADLP Oc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(OCCn3cc[nH+]c3)c(Cl)c1)C2 ZINC001474131087 1074271390 /nfs/dbraw/zinc/27/13/90/1074271390.db2.gz LNDCUWZNXIVBAZ-IBGZPJMESA-N 2 2 397.906 3.968 20 0 GHADLP CC1(C)C[C@]1(C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC001474219335 1074297744 /nfs/dbraw/zinc/29/77/44/1074297744.db2.gz YJWSMABREITXID-VWLOTQADSA-N 2 2 394.559 3.855 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cncc(Br)c2C)[nH+]1 ZINC001474323363 1074342522 /nfs/dbraw/zinc/34/25/22/1074342522.db2.gz DMCGPZKIJMOHPR-MRXNPFEDSA-N 2 2 375.314 3.932 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cncc(Br)c2C)[nH+]1 ZINC001474323363 1074342529 /nfs/dbraw/zinc/34/25/29/1074342529.db2.gz DMCGPZKIJMOHPR-MRXNPFEDSA-N 2 2 375.314 3.932 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC001474436047 1074405240 /nfs/dbraw/zinc/40/52/40/1074405240.db2.gz UMUZAKBNMBYTBD-QUCCMNQESA-N 2 2 375.557 3.792 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC001474436047 1074405245 /nfs/dbraw/zinc/40/52/45/1074405245.db2.gz UMUZAKBNMBYTBD-QUCCMNQESA-N 2 2 375.557 3.792 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CCCc2c(Cl)cccc2Cl)CC1 ZINC001474603626 1074480364 /nfs/dbraw/zinc/48/03/64/1074480364.db2.gz NWTHCRUSPQAEMC-UHFFFAOYSA-N 2 2 387.351 3.933 20 0 GHADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)CC1 ZINC001474673422 1074508798 /nfs/dbraw/zinc/50/87/98/1074508798.db2.gz BLMQCCUBHBCINT-XODARUQUSA-N 2 2 390.593 3.624 20 0 GHADLP Cc1ccccc1-c1ccccc1C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001474685628 1074514360 /nfs/dbraw/zinc/51/43/60/1074514360.db2.gz WLSNDZXIHBNDOR-UHFFFAOYSA-N 2 2 391.559 3.968 20 0 GHADLP CC1(C)OC[C@H](C[NH2+][C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)O1 ZINC001474729976 1074537209 /nfs/dbraw/zinc/53/72/09/1074537209.db2.gz MQYRORKESALDKZ-WPFOTENUSA-N 2 2 380.532 3.786 20 0 GHADLP CC1(C)OC[C@H](C[NH2+][C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)O1 ZINC001474729976 1074537219 /nfs/dbraw/zinc/53/72/19/1074537219.db2.gz MQYRORKESALDKZ-WPFOTENUSA-N 2 2 380.532 3.786 20 0 GHADLP CC(C)[NH+]1CCC([NH2+]Cc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)CC1 ZINC000820128021 607071133 /nfs/dbraw/zinc/07/11/33/607071133.db2.gz NYQNHWJCDZSWJX-UHFFFAOYSA-N 2 2 382.537 3.558 20 0 GHADLP CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000825318352 608871000 /nfs/dbraw/zinc/87/10/00/608871000.db2.gz MBIVCSJBJLJDLM-UHFFFAOYSA-N 2 2 390.535 3.743 20 0 GHADLP CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000825318352 608871001 /nfs/dbraw/zinc/87/10/01/608871001.db2.gz MBIVCSJBJLJDLM-UHFFFAOYSA-N 2 2 390.535 3.743 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824546993 609147615 /nfs/dbraw/zinc/14/76/15/609147615.db2.gz MCSFTTVQLODMJD-XFQAVAEZSA-N 2 2 394.498 3.567 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824546993 609147616 /nfs/dbraw/zinc/14/76/16/609147616.db2.gz MCSFTTVQLODMJD-XFQAVAEZSA-N 2 2 394.498 3.567 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3cc(OC)c(F)cc31)C2 ZINC001164811973 720196885 /nfs/dbraw/zinc/19/68/85/720196885.db2.gz KOZPGKBSRLXEHM-FDDCHVKYSA-N 2 2 399.510 3.567 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3cc(OC)c(F)cc31)C2 ZINC001164811973 720196890 /nfs/dbraw/zinc/19/68/90/720196890.db2.gz KOZPGKBSRLXEHM-FDDCHVKYSA-N 2 2 399.510 3.567 20 0 GHADLP c1csc(C[NH+]2C[C@@H]3CN(c4[nH+]cnc5c4ccn5C4CCCC4)C[C@H]3C2)n1 ZINC001164781157 721413508 /nfs/dbraw/zinc/41/35/08/721413508.db2.gz CEHSTMYUZVPKPU-HZPDHXFCSA-N 2 2 394.548 3.571 20 0 GHADLP C[NH+](C)[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000431809798 837744789 /nfs/dbraw/zinc/74/47/89/837744789.db2.gz GJWBBCSVYGKOOC-SJBKTWHCSA-N 2 2 387.474 3.519 20 0 GHADLP C[NH+](C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000431809798 837744795 /nfs/dbraw/zinc/74/47/95/837744795.db2.gz GJWBBCSVYGKOOC-SJBKTWHCSA-N 2 2 387.474 3.519 20 0 GHADLP CC[C@@H](Cc1ccccc1Br)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655733348 837769337 /nfs/dbraw/zinc/76/93/37/837769337.db2.gz LOMZFUACLXBARV-WMZOPIPTSA-N 2 2 381.358 3.613 20 0 GHADLP CN(C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683097162 834458676 /nfs/dbraw/zinc/45/86/76/834458676.db2.gz DMBJDVMEOBBEKE-FUDKSRODSA-N 2 2 398.595 3.523 20 0 GHADLP CN(C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683097162 834458681 /nfs/dbraw/zinc/45/86/81/834458681.db2.gz DMBJDVMEOBBEKE-FUDKSRODSA-N 2 2 398.595 3.523 20 0 GHADLP Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683116100 834523686 /nfs/dbraw/zinc/52/36/86/834523686.db2.gz NTYZZMDJPBUGTI-SVFBPWRDSA-N 2 2 383.580 3.603 20 0 GHADLP Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683116100 834523693 /nfs/dbraw/zinc/52/36/93/834523693.db2.gz NTYZZMDJPBUGTI-SVFBPWRDSA-N 2 2 383.580 3.603 20 0 GHADLP Cc1cc([C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2cccnc2)ccc1F ZINC000579941849 837794497 /nfs/dbraw/zinc/79/44/97/837794497.db2.gz GQFHEBJGGUVLKQ-QFIPXVFZSA-N 2 2 377.467 3.535 20 0 GHADLP CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)c(C)c2)CC1 ZINC000029441865 835007977 /nfs/dbraw/zinc/00/79/77/835007977.db2.gz QBABYZJXSHROFZ-UHFFFAOYSA-N 2 2 389.503 3.575 20 0 GHADLP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)C(F)(F)F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000579824694 835224096 /nfs/dbraw/zinc/22/40/96/835224096.db2.gz RBSAAYWLGJVDGW-YUELXQCFSA-N 2 2 384.364 3.601 20 0 GHADLP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)C(F)(F)F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000579824694 835224103 /nfs/dbraw/zinc/22/41/03/835224103.db2.gz RBSAAYWLGJVDGW-YUELXQCFSA-N 2 2 384.364 3.601 20 0 GHADLP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)COCc1ccccc1 ZINC000658130943 835440924 /nfs/dbraw/zinc/44/09/24/835440924.db2.gz AOIFHKZTXCIBSV-AGILITTLSA-N 2 2 397.563 3.504 20 0 GHADLP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)COCc1ccccc1 ZINC000658130943 835440931 /nfs/dbraw/zinc/44/09/31/835440931.db2.gz AOIFHKZTXCIBSV-AGILITTLSA-N 2 2 397.563 3.504 20 0 GHADLP C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CCC[C@H](c5[nH]cc[nH+]5)C4)nc(N)c32)C1 ZINC000471185503 835528470 /nfs/dbraw/zinc/52/84/70/835528470.db2.gz JCWULZWQVVLDPY-KGLIPLIRSA-N 2 2 396.564 3.544 20 0 GHADLP C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CCC[C@H](c5[nH]cc[nH+]5)C4)nc(N)c32)C1 ZINC000471185503 835528475 /nfs/dbraw/zinc/52/84/75/835528475.db2.gz JCWULZWQVVLDPY-KGLIPLIRSA-N 2 2 396.564 3.544 20 0 GHADLP Brc1ccccc1C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000658294301 835558967 /nfs/dbraw/zinc/55/89/67/835558967.db2.gz GYPCSUHUVOVJFC-ICSRJNTNSA-N 2 2 393.369 3.613 20 0 GHADLP COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1OCCO ZINC000151685123 835727912 /nfs/dbraw/zinc/72/79/12/835727912.db2.gz KINZDZUCFARNIX-SJORKVTESA-N 2 2 381.476 3.664 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCCO2 ZINC000191837820 835762987 /nfs/dbraw/zinc/76/29/87/835762987.db2.gz XOTVMFCWAZMXIK-UGKGYDQZSA-N 2 2 396.531 3.790 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCCO2 ZINC000191837820 835762992 /nfs/dbraw/zinc/76/29/92/835762992.db2.gz XOTVMFCWAZMXIK-UGKGYDQZSA-N 2 2 396.531 3.790 20 0 GHADLP CN(C(=O)/C=C\c1cccc(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000255769752 835780783 /nfs/dbraw/zinc/78/07/83/835780783.db2.gz HPROIGDBHNFCKS-RHCPZQJMSA-N 2 2 387.543 3.635 20 0 GHADLP CN(C(=O)/C=C\c1cccc(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000255769752 835780794 /nfs/dbraw/zinc/78/07/94/835780794.db2.gz HPROIGDBHNFCKS-RHCPZQJMSA-N 2 2 387.543 3.635 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000247786089 835868100 /nfs/dbraw/zinc/86/81/00/835868100.db2.gz YKAGEWMMSBLYDN-WOIUINJBSA-N 2 2 395.551 3.701 20 0 GHADLP c1cc2c(cccc2C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)[nH]1 ZINC000092669019 844150332 /nfs/dbraw/zinc/15/03/32/844150332.db2.gz BMHXYJLXNMVIBL-HXUWFJFHSA-N 2 2 389.547 3.597 20 0 GHADLP c1cc2c(cccc2C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)[nH]1 ZINC000092669019 844150339 /nfs/dbraw/zinc/15/03/39/844150339.db2.gz BMHXYJLXNMVIBL-HXUWFJFHSA-N 2 2 389.547 3.597 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H]1C1CCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000613481002 836496603 /nfs/dbraw/zinc/49/66/03/836496603.db2.gz PVHFJVIVKPDWFK-QFIPXVFZSA-N 2 2 385.552 3.502 20 0 GHADLP O=C(C[N@H+]1CCC[C@H]1C1CCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000613481002 836496607 /nfs/dbraw/zinc/49/66/07/836496607.db2.gz PVHFJVIVKPDWFK-QFIPXVFZSA-N 2 2 385.552 3.502 20 0 GHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000510929821 844174611 /nfs/dbraw/zinc/17/46/11/844174611.db2.gz NOOSFVHUBHIWAB-UHFFFAOYSA-N 2 2 388.471 3.669 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)c1 ZINC000537952058 836840097 /nfs/dbraw/zinc/84/00/97/836840097.db2.gz OJBJMCICLGYICQ-PGRDOPGGSA-N 2 2 397.544 3.996 20 0 GHADLP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278804382 837275929 /nfs/dbraw/zinc/27/59/29/837275929.db2.gz GBCAKEYGBGSDNE-UHFFFAOYSA-N 2 2 380.536 3.908 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1csc(-c2ccccc2)n1 ZINC000414060252 837311119 /nfs/dbraw/zinc/31/11/19/837311119.db2.gz JGKQHKKHGGRFMI-QGZVFWFLSA-N 2 2 393.560 3.808 20 0 GHADLP COc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(OC)c1OC ZINC000030909932 837350087 /nfs/dbraw/zinc/35/00/87/837350087.db2.gz FRNNCFRRVOXLFQ-UHFFFAOYSA-N 2 2 384.520 3.509 20 0 GHADLP Fc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1Br ZINC000655763855 837840143 /nfs/dbraw/zinc/84/01/43/837840143.db2.gz CMYAAAUKLZCTDA-DJIMGWMZSA-N 2 2 397.332 3.677 20 0 GHADLP Brc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655770102 837843222 /nfs/dbraw/zinc/84/32/22/837843222.db2.gz YGIOMZRBXFQORH-ATZDWAIDSA-N 2 2 379.342 3.538 20 0 GHADLP OCC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000655766545 837843290 /nfs/dbraw/zinc/84/32/90/837843290.db2.gz IKFOTJYYWQZSKW-VQIMIIECSA-N 2 2 387.351 3.650 20 0 GHADLP FC(F)(F)Oc1cccc(C2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)c1 ZINC000655846002 838050766 /nfs/dbraw/zinc/05/07/66/838050766.db2.gz YZRDUQMNDWUMGC-GOSISDBHSA-N 2 2 384.442 3.807 20 0 GHADLP COc1ccc(C[C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(C)c1OC ZINC000579966429 838108806 /nfs/dbraw/zinc/10/88/06/838108806.db2.gz GUCNTEDGQKINFS-UZLBHIALSA-N 2 2 398.551 3.591 20 0 GHADLP CC[N@H+](CCCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000651220258 838276630 /nfs/dbraw/zinc/27/66/30/838276630.db2.gz YVDRNQPSTXQYRD-AZUAARDMSA-N 2 2 375.561 3.520 20 0 GHADLP CC[N@@H+](CCCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000651220258 838276638 /nfs/dbraw/zinc/27/66/38/838276638.db2.gz YVDRNQPSTXQYRD-AZUAARDMSA-N 2 2 375.561 3.520 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C2CC2)cc1 ZINC000419361185 844311012 /nfs/dbraw/zinc/31/10/12/844311012.db2.gz SZIDAEQVUUOOII-GOSISDBHSA-N 2 2 393.531 3.686 20 0 GHADLP Cc1coc2ccc(NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)cc12 ZINC000188012250 838362792 /nfs/dbraw/zinc/36/27/92/838362792.db2.gz FSIGGMRGKOWJFH-UHFFFAOYSA-N 2 2 384.524 3.813 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](CCCc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001167341990 838555314 /nfs/dbraw/zinc/55/53/14/838555314.db2.gz NZHCKDSWOMCAKE-UHFFFAOYSA-N 2 2 379.426 3.864 20 0 GHADLP CC(=O)c1c(F)cccc1N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431840492 839320199 /nfs/dbraw/zinc/32/01/99/839320199.db2.gz NSRYVIAILCSFIW-UHFFFAOYSA-N 2 2 375.532 3.661 20 0 GHADLP Brc1ccc(-c2c[nH]c(C[NH2+]CCC[NH+]3CCCCC3)n2)cc1 ZINC000236748528 839477718 /nfs/dbraw/zinc/47/77/18/839477718.db2.gz HOMAFWMXFDSPFF-UHFFFAOYSA-N 2 2 377.330 3.805 20 0 GHADLP COc1ccccc1[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)N(C)C ZINC000153299789 839536446 /nfs/dbraw/zinc/53/64/46/839536446.db2.gz NLXOGYKLTINXLR-QHCPKHFHSA-N 2 2 399.554 3.734 20 0 GHADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000580499318 839694573 /nfs/dbraw/zinc/69/45/73/839694573.db2.gz WMCIQKJZFVSQBG-SDHOMARFSA-N 3 2 386.543 3.932 20 0 GHADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000580499318 839694577 /nfs/dbraw/zinc/69/45/77/839694577.db2.gz WMCIQKJZFVSQBG-SDHOMARFSA-N 3 2 386.543 3.932 20 0 GHADLP COc1ccc([C@@H](CNCc2[nH+]c(C(C)C)n3ccccc23)[NH+](C)C)cc1OC ZINC000580572938 839821930 /nfs/dbraw/zinc/82/19/30/839821930.db2.gz FXFWTPOCRIFTGJ-HXUWFJFHSA-N 2 2 396.535 3.867 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1oc2ccccc2c1Br ZINC000656254255 839840456 /nfs/dbraw/zinc/84/04/56/839840456.db2.gz DYTYQHFBBWSUAT-FRFSOERESA-N 2 2 393.325 3.879 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1oc2ccccc2c1Br ZINC000656254255 839840460 /nfs/dbraw/zinc/84/04/60/839840460.db2.gz DYTYQHFBBWSUAT-FRFSOERESA-N 2 2 393.325 3.879 20 0 GHADLP CCN(CCOC)c1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC001167426760 839929862 /nfs/dbraw/zinc/92/98/62/839929862.db2.gz YPGRYVZFJUNWIZ-NHCUHLMSSA-N 2 2 388.600 3.641 20 0 GHADLP CCN(CCOC)c1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC001167426760 839929868 /nfs/dbraw/zinc/92/98/68/839929868.db2.gz YPGRYVZFJUNWIZ-NHCUHLMSSA-N 2 2 388.600 3.641 20 0 GHADLP CCN(CCOC)c1cccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC001167426760 839929869 /nfs/dbraw/zinc/92/98/69/839929869.db2.gz YPGRYVZFJUNWIZ-NHCUHLMSSA-N 2 2 388.600 3.641 20 0 GHADLP CCN(CCOC)c1cccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1 ZINC001167426760 839929872 /nfs/dbraw/zinc/92/98/72/839929872.db2.gz YPGRYVZFJUNWIZ-NHCUHLMSSA-N 2 2 388.600 3.641 20 0 GHADLP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660470817 840598731 /nfs/dbraw/zinc/59/87/31/840598731.db2.gz XZUHRQFNZODDGI-HSZRJFAPSA-N 2 2 393.531 3.626 20 0 GHADLP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660470817 840598738 /nfs/dbraw/zinc/59/87/38/840598738.db2.gz XZUHRQFNZODDGI-HSZRJFAPSA-N 2 2 393.531 3.626 20 0 GHADLP COc1ccc(-n2ccc(C[NH2+][C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2)cc1 ZINC000548154076 840650222 /nfs/dbraw/zinc/65/02/22/840650222.db2.gz XFBCQKKKMLVCEP-TZIWHRDSSA-N 2 2 390.531 3.881 20 0 GHADLP COc1ccc(-n2ccc(C[NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2)cc1 ZINC000548154076 840650228 /nfs/dbraw/zinc/65/02/28/840650228.db2.gz XFBCQKKKMLVCEP-TZIWHRDSSA-N 2 2 390.531 3.881 20 0 GHADLP CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000187368435 840727100 /nfs/dbraw/zinc/72/71/00/840727100.db2.gz FYVNFFNJWHYSCW-OAQYLSRUSA-N 2 2 386.561 3.724 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000030909928 840752532 /nfs/dbraw/zinc/75/25/32/840752532.db2.gz OTFGTOUBOTVADU-UHFFFAOYSA-N 2 2 384.520 3.509 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccc2ccccc2c1 ZINC000660657150 841065506 /nfs/dbraw/zinc/06/55/06/841065506.db2.gz NYSMVJDWDFTNPK-JXQFQVJHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccc2ccccc2c1 ZINC000660657150 841065518 /nfs/dbraw/zinc/06/55/18/841065518.db2.gz NYSMVJDWDFTNPK-JXQFQVJHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccc2ccccc2c1 ZINC000660657150 841065530 /nfs/dbraw/zinc/06/55/30/841065530.db2.gz NYSMVJDWDFTNPK-JXQFQVJHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc2ccccc2c1 ZINC000660657150 841065545 /nfs/dbraw/zinc/06/55/45/841065545.db2.gz NYSMVJDWDFTNPK-JXQFQVJHSA-N 2 2 379.548 3.823 20 0 GHADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000660692393 841103274 /nfs/dbraw/zinc/10/32/74/841103274.db2.gz MEKCZMUUKGQTIS-UHFFFAOYSA-N 2 2 396.575 3.865 20 0 GHADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000581356386 841160330 /nfs/dbraw/zinc/16/03/30/841160330.db2.gz GLQQQYAMDYRWKM-UHFFFAOYSA-N 2 2 375.476 3.565 20 0 GHADLP Fc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(I)c1 ZINC000417745778 841172221 /nfs/dbraw/zinc/17/22/21/841172221.db2.gz FMHUXBYCLHFYJB-UHFFFAOYSA-N 2 2 385.224 3.533 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430582060 841251542 /nfs/dbraw/zinc/25/15/42/841251542.db2.gz JFBLZOIPSIBDAJ-TUAOUCFPSA-N 2 2 377.838 3.745 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430582060 841251549 /nfs/dbraw/zinc/25/15/49/841251549.db2.gz JFBLZOIPSIBDAJ-TUAOUCFPSA-N 2 2 377.838 3.745 20 0 GHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514283 841831611 /nfs/dbraw/zinc/83/16/11/841831611.db2.gz LPDWLYZYONRJQY-WZONZLPQSA-N 2 2 395.522 3.742 20 0 GHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514283 841831622 /nfs/dbraw/zinc/83/16/22/841831622.db2.gz LPDWLYZYONRJQY-WZONZLPQSA-N 2 2 395.522 3.742 20 0 GHADLP CC[N@H+](CCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)C1CCCCC1 ZINC000652236915 842098503 /nfs/dbraw/zinc/09/85/03/842098503.db2.gz CFVNTBRBYQXYIA-MRXNPFEDSA-N 2 2 384.561 3.925 20 0 GHADLP CC[N@@H+](CCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)C1CCCCC1 ZINC000652236915 842098514 /nfs/dbraw/zinc/09/85/14/842098514.db2.gz CFVNTBRBYQXYIA-MRXNPFEDSA-N 2 2 384.561 3.925 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)s1 ZINC000512024592 842176764 /nfs/dbraw/zinc/17/67/64/842176764.db2.gz NDESPLSFEVEXBE-UHFFFAOYSA-N 3 2 393.000 3.860 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@H](c3cccc(Cl)c3)[C@H]2C)CC1 ZINC000661798922 842183004 /nfs/dbraw/zinc/18/30/04/842183004.db2.gz QRBRGCGONPKEBX-NQIIRXRSSA-N 2 2 379.976 3.518 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@H](c3cccc(Cl)c3)[C@H]2C)CC1 ZINC000661798922 842183008 /nfs/dbraw/zinc/18/30/08/842183008.db2.gz QRBRGCGONPKEBX-NQIIRXRSSA-N 2 2 379.976 3.518 20 0 GHADLP CC[N@H+](CC(=O)NC1CC[NH+](CC2CCCC2)CC1)Cc1ccccc1Cl ZINC000555578338 861307105 /nfs/dbraw/zinc/30/71/05/861307105.db2.gz IGXZDYCEGASYKK-UHFFFAOYSA-N 2 2 391.987 3.933 20 0 GHADLP CC[N@@H+](CC(=O)NC1CC[NH+](CC2CCCC2)CC1)Cc1ccccc1Cl ZINC000555578338 861307123 /nfs/dbraw/zinc/30/71/23/861307123.db2.gz IGXZDYCEGASYKK-UHFFFAOYSA-N 2 2 391.987 3.933 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@](C)([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162019 842654346 /nfs/dbraw/zinc/65/43/46/842654346.db2.gz CTHHAERZBVKTEY-ZVDOUQERSA-N 2 2 389.902 3.605 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)[C@@](C)([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162019 842654349 /nfs/dbraw/zinc/65/43/49/842654349.db2.gz CTHHAERZBVKTEY-ZVDOUQERSA-N 2 2 389.902 3.605 20 0 GHADLP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000329378250 861350158 /nfs/dbraw/zinc/35/01/58/861350158.db2.gz MLGOYXGBZLVXSY-IBGZPJMESA-N 2 2 395.551 3.862 20 0 GHADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(OCC(F)(F)F)c1Br ZINC000662264813 843032264 /nfs/dbraw/zinc/03/22/64/843032264.db2.gz MMAYTVGHUIBFKB-QWRGUYRKSA-N 2 2 381.236 3.559 20 0 GHADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(OCC(F)(F)F)c1Br ZINC000662264813 843032272 /nfs/dbraw/zinc/03/22/72/843032272.db2.gz MMAYTVGHUIBFKB-QWRGUYRKSA-N 2 2 381.236 3.559 20 0 GHADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346494 843263010 /nfs/dbraw/zinc/26/30/10/843263010.db2.gz SAYORPBTTBACOF-OAHLLOKOSA-N 2 2 380.458 3.804 20 0 GHADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346494 843263021 /nfs/dbraw/zinc/26/30/21/843263021.db2.gz SAYORPBTTBACOF-OAHLLOKOSA-N 2 2 380.458 3.804 20 0 GHADLP CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000662702030 843535839 /nfs/dbraw/zinc/53/58/39/843535839.db2.gz VHIHLUGTCVIZTL-QFIPXVFZSA-N 2 2 388.515 3.603 20 0 GHADLP CCC[N@H+](CC)Cc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000510844615 843613107 /nfs/dbraw/zinc/61/31/07/843613107.db2.gz SCGMIWAGBZZOIQ-UHFFFAOYSA-N 2 2 380.536 3.712 20 0 GHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000510844615 843613112 /nfs/dbraw/zinc/61/31/12/843613112.db2.gz SCGMIWAGBZZOIQ-UHFFFAOYSA-N 2 2 380.536 3.712 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cc2nn(C)cc2Br)CC1)CC(C)C ZINC000432779385 843806845 /nfs/dbraw/zinc/80/68/45/843806845.db2.gz HSOHGIUVDRLYCB-UHFFFAOYSA-N 2 2 385.394 3.763 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cc2nn(C)cc2Br)CC1)CC(C)C ZINC000432779385 843806857 /nfs/dbraw/zinc/80/68/57/843806857.db2.gz HSOHGIUVDRLYCB-UHFFFAOYSA-N 2 2 385.394 3.763 20 0 GHADLP COCCOc1cccc(C[NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000512831532 843826229 /nfs/dbraw/zinc/82/62/29/843826229.db2.gz DCHDSBYDMRUYJX-XMMPIXPASA-N 2 2 382.548 3.884 20 0 GHADLP COCCOc1cccc(C[NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)c1 ZINC000512831532 843826234 /nfs/dbraw/zinc/82/62/34/843826234.db2.gz DCHDSBYDMRUYJX-XMMPIXPASA-N 2 2 382.548 3.884 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000152092441 844669157 /nfs/dbraw/zinc/66/91/57/844669157.db2.gz DQAPMCJSYRDNQN-LJQANCHMSA-N 3 2 378.520 3.723 20 0 GHADLP CCC[NH+]1CCC(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000549935051 845221996 /nfs/dbraw/zinc/22/19/96/845221996.db2.gz VSWASONAEYYSJI-INIZCTEOSA-N 2 2 393.601 3.619 20 0 GHADLP CCC[NH+]1CCC(CNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000549935051 845222009 /nfs/dbraw/zinc/22/20/09/845222009.db2.gz VSWASONAEYYSJI-INIZCTEOSA-N 2 2 393.601 3.619 20 0 GHADLP FC(F)Oc1cc2c(cc1C[NH2+]C1CC[NH+](C3CCCCC3)CC1)OCO2 ZINC000513331213 845250156 /nfs/dbraw/zinc/25/01/56/845250156.db2.gz RJJJEQSSULMBIW-UHFFFAOYSA-N 2 2 382.451 3.903 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CCN(c4ccnc(-c5ccccc5)n4)CC3)cc2)c[nH+]1 ZINC000513483998 845502652 /nfs/dbraw/zinc/50/26/52/845502652.db2.gz HFFXPSKNOCGSGZ-UHFFFAOYSA-N 2 2 396.498 3.652 20 0 GHADLP CCn1nc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c2ccccc21 ZINC000472051216 845594142 /nfs/dbraw/zinc/59/41/42/845594142.db2.gz FGNQFSQIXVRWBH-QGZVFWFLSA-N 2 2 395.526 3.798 20 0 GHADLP C[N@H+](Cc1ccc(-c2cccc(Br)c2)o1)C1CC[NH+](CCO)CC1 ZINC000513530615 845626422 /nfs/dbraw/zinc/62/64/22/845626422.db2.gz OSLQJYFTXGGJQI-UHFFFAOYSA-N 2 2 393.325 3.598 20 0 GHADLP C[N@@H+](Cc1ccc(-c2cccc(Br)c2)o1)C1CC[NH+](CCO)CC1 ZINC000513530615 845626430 /nfs/dbraw/zinc/62/64/30/845626430.db2.gz OSLQJYFTXGGJQI-UHFFFAOYSA-N 2 2 393.325 3.598 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CCCCN1C(=O)c3ccccc3C1=O)CCC2 ZINC000472141197 846124160 /nfs/dbraw/zinc/12/41/60/846124160.db2.gz ZPAKLECZDWOXED-SJLPKXTDSA-N 2 2 394.519 3.514 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cscc3Br)CC2)CC1 ZINC000421371219 846183206 /nfs/dbraw/zinc/18/32/06/846183206.db2.gz JGMVKURCVUIPPH-UHFFFAOYSA-N 2 2 386.403 3.503 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cscc3Br)CC2)CC1 ZINC000421371219 846183201 /nfs/dbraw/zinc/18/32/01/846183201.db2.gz JGMVKURCVUIPPH-UHFFFAOYSA-N 2 2 386.403 3.503 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)CC1 ZINC000422004868 846743287 /nfs/dbraw/zinc/74/32/87/846743287.db2.gz HNKFMGGEVXFTSG-UHFFFAOYSA-N 2 2 399.510 3.718 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)CC1 ZINC000422004868 846743300 /nfs/dbraw/zinc/74/33/00/846743300.db2.gz HNKFMGGEVXFTSG-UHFFFAOYSA-N 2 2 399.510 3.718 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000422004559 846744411 /nfs/dbraw/zinc/74/44/11/846744411.db2.gz GLAZYROVBSYCHL-UHFFFAOYSA-N 2 2 384.351 3.626 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000422004559 846744415 /nfs/dbraw/zinc/74/44/15/846744415.db2.gz GLAZYROVBSYCHL-UHFFFAOYSA-N 2 2 384.351 3.626 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3coc4cc(C)c(C)cc34)CC2)CC1 ZINC000422010250 846748834 /nfs/dbraw/zinc/74/88/34/846748834.db2.gz BVLNQIHNYFMNEO-UHFFFAOYSA-N 2 2 383.536 3.682 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3coc4cc(C)c(C)cc34)CC2)CC1 ZINC000422010250 846748838 /nfs/dbraw/zinc/74/88/38/846748838.db2.gz BVLNQIHNYFMNEO-UHFFFAOYSA-N 2 2 383.536 3.682 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+](C2CCC2)CC1)c1ccccc1Cl ZINC000503133133 846836168 /nfs/dbraw/zinc/83/61/68/846836168.db2.gz BFYJNNFKPXTYQV-HXUWFJFHSA-N 2 2 392.975 3.603 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000271877693 846941141 /nfs/dbraw/zinc/94/11/41/846941141.db2.gz YDPKPLDJFFINJD-SFHVURJKSA-N 2 2 391.519 3.551 20 0 GHADLP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000158506960 847043775 /nfs/dbraw/zinc/04/37/75/847043775.db2.gz UKQUZUGFXVRPAQ-SFHVURJKSA-N 2 2 390.478 3.676 20 0 GHADLP CN(C(=O)C1CCC(C2CC2)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001268966853 847097318 /nfs/dbraw/zinc/09/73/18/847097318.db2.gz DNIMNZCGXPCDET-JQRIJJRESA-N 2 2 389.628 3.998 20 0 GHADLP CN(C(=O)C1CCC(C2CC2)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001268966853 847097328 /nfs/dbraw/zinc/09/73/28/847097328.db2.gz DNIMNZCGXPCDET-JQRIJJRESA-N 2 2 389.628 3.998 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(Br)c1 ZINC000420339448 847118880 /nfs/dbraw/zinc/11/88/80/847118880.db2.gz LSJAPLWMQYLLIA-WMLDXEAASA-N 2 2 394.357 3.549 20 0 GHADLP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000420349382 847146858 /nfs/dbraw/zinc/14/68/58/847146858.db2.gz CSIIRAMOQJAYPG-GFCCVEGCSA-N 2 2 380.323 3.629 20 0 GHADLP C[NH+](C)C1(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CCCCCC1 ZINC000058783057 847173467 /nfs/dbraw/zinc/17/34/67/847173467.db2.gz CHGMFRYOBNYYQV-HXUWFJFHSA-N 2 2 389.609 3.547 20 0 GHADLP CCCOc1cccc2c(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@H](C)C3)ccnc12 ZINC000501993249 847375441 /nfs/dbraw/zinc/37/54/41/847375441.db2.gz GTKWYUVSPRADLO-GOSISDBHSA-N 2 2 382.552 3.628 20 0 GHADLP CCCOc1cccc2c(N3CC[N@H+](C4CC[NH+](C)CC4)[C@H](C)C3)ccnc12 ZINC000501993249 847375450 /nfs/dbraw/zinc/37/54/50/847375450.db2.gz GTKWYUVSPRADLO-GOSISDBHSA-N 2 2 382.552 3.628 20 0 GHADLP Cc1cc(CNC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc(C)[nH+]1 ZINC000422196731 847462807 /nfs/dbraw/zinc/46/28/07/847462807.db2.gz FCHLZPIGZLRYSE-OAQYLSRUSA-N 2 2 384.524 3.588 20 0 GHADLP Cc1ccc(C(=O)C2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000420899618 847519107 /nfs/dbraw/zinc/51/91/07/847519107.db2.gz GHHWDJHLGHPOIZ-UHFFFAOYSA-N 2 2 392.543 3.922 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3nc(-c4cccs4)oc3C)CC2)CC1 ZINC000420998550 847621133 /nfs/dbraw/zinc/62/11/33/847621133.db2.gz BDMFXHVJSKUBMA-UHFFFAOYSA-N 2 2 388.581 3.704 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3nc(-c4cccs4)oc3C)CC2)CC1 ZINC000420998550 847621137 /nfs/dbraw/zinc/62/11/37/847621137.db2.gz BDMFXHVJSKUBMA-UHFFFAOYSA-N 2 2 388.581 3.704 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@H]3CCCC34CCOCC4)CC2)cc1 ZINC000502259529 847667923 /nfs/dbraw/zinc/66/79/23/847667923.db2.gz WGPAGPDGYKGJDC-QHCPKHFHSA-N 2 2 385.596 3.523 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407948 847672576 /nfs/dbraw/zinc/67/25/76/847672576.db2.gz GOLLAANZEDBFGQ-TZIWHRDSSA-N 2 2 394.563 3.836 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407948 847672581 /nfs/dbraw/zinc/67/25/81/847672581.db2.gz GOLLAANZEDBFGQ-TZIWHRDSSA-N 2 2 394.563 3.836 20 0 GHADLP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000503414572 847679334 /nfs/dbraw/zinc/67/93/34/847679334.db2.gz FPDQBXARZAHGBV-IRLDBZIGSA-N 2 2 397.563 3.764 20 0 GHADLP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000503414572 847679342 /nfs/dbraw/zinc/67/93/42/847679342.db2.gz FPDQBXARZAHGBV-IRLDBZIGSA-N 2 2 397.563 3.764 20 0 GHADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000582599037 847735433 /nfs/dbraw/zinc/73/54/33/847735433.db2.gz UADHVYRVTFGANI-UHFFFAOYSA-N 2 2 399.461 3.559 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000513790541 847745818 /nfs/dbraw/zinc/74/58/18/847745818.db2.gz ZJQHWQFWVVDDSC-LEWJYISDSA-N 2 2 399.579 3.745 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000513790541 847745823 /nfs/dbraw/zinc/74/58/23/847745823.db2.gz ZJQHWQFWVVDDSC-LEWJYISDSA-N 2 2 399.579 3.745 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cc(C)c(F)cc3Cl)CC2)CC1 ZINC000421107218 847751123 /nfs/dbraw/zinc/75/11/23/847751123.db2.gz HZZSSPZSTCJGPV-UHFFFAOYSA-N 2 2 396.938 3.811 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cc(C)c(F)cc3Cl)CC2)CC1 ZINC000421107218 847751125 /nfs/dbraw/zinc/75/11/25/847751125.db2.gz HZZSSPZSTCJGPV-UHFFFAOYSA-N 2 2 396.938 3.811 20 0 GHADLP Brc1ccc2nc(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)cn2c1 ZINC000422731634 847787222 /nfs/dbraw/zinc/78/72/22/847787222.db2.gz MBWHSODDPMLYAS-SJLPKXTDSA-N 2 2 385.309 3.680 20 0 GHADLP COc1ccc([C@@H]([NH2+]CCCn2c(C)nc3ccccc32)[C@@H]2CCC[NH2+]2)cc1 ZINC000422761708 847801885 /nfs/dbraw/zinc/80/18/85/847801885.db2.gz RMEMNHWKBIRPSK-JTHBVZDNSA-N 2 2 378.520 3.826 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1OCCc2sccc21 ZINC000429142098 861831238 /nfs/dbraw/zinc/83/12/38/861831238.db2.gz MHKHTSDGXRBCCM-GCJKJVERSA-N 2 2 385.577 3.552 20 0 GHADLP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422768372 847815087 /nfs/dbraw/zinc/81/50/87/847815087.db2.gz NUISKWFRFGHWGN-JHVJFLLYSA-N 2 2 387.549 3.513 20 0 GHADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000422785093 847822131 /nfs/dbraw/zinc/82/21/31/847822131.db2.gz JHOCGVJTHBOLHA-UWJYYQICSA-N 2 2 394.494 3.535 20 0 GHADLP COc1ccc([C@@H](NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422826811 847842811 /nfs/dbraw/zinc/84/28/11/847842811.db2.gz CQPYIMMMZLIUFI-XZOQPEGZSA-N 2 2 376.504 3.523 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2F)[C@H](C)C1 ZINC000115628897 847872896 /nfs/dbraw/zinc/87/28/96/847872896.db2.gz SUJYVMMJXRYYTE-RDTXWAMCSA-N 2 2 387.337 3.815 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2F)[C@H](C)C1 ZINC000115628897 847872904 /nfs/dbraw/zinc/87/29/04/847872904.db2.gz SUJYVMMJXRYYTE-RDTXWAMCSA-N 2 2 387.337 3.815 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000423040895 847951902 /nfs/dbraw/zinc/95/19/02/847951902.db2.gz VGPHFLAMLQWAKE-BYCMXARLSA-N 2 2 395.263 3.799 20 0 GHADLP c1csc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000582724993 848146499 /nfs/dbraw/zinc/14/64/99/848146499.db2.gz BTESDYYQNGDGFA-MOPGFXCFSA-N 2 2 378.545 3.701 20 0 GHADLP c1csc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000582724993 848146500 /nfs/dbraw/zinc/14/65/00/848146500.db2.gz BTESDYYQNGDGFA-MOPGFXCFSA-N 2 2 378.545 3.701 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CSCc2ccc(Br)cc21 ZINC000657641801 848411142 /nfs/dbraw/zinc/41/11/42/848411142.db2.gz MINGNVUELUUCHJ-INIZCTEOSA-N 2 2 378.339 3.988 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000583220069 849364936 /nfs/dbraw/zinc/36/49/36/849364936.db2.gz FNJOLTILFZPUDT-OALUTQOASA-N 2 2 394.544 3.947 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000472284438 849496792 /nfs/dbraw/zinc/49/67/92/849496792.db2.gz ADNBSTDMNXXVPM-MSOLQXFVSA-N 2 2 395.975 3.717 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000472284438 849496797 /nfs/dbraw/zinc/49/67/97/849496797.db2.gz ADNBSTDMNXXVPM-MSOLQXFVSA-N 2 2 395.975 3.717 20 0 GHADLP CSc1cc(Br)ccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750125 849603692 /nfs/dbraw/zinc/60/36/92/849603692.db2.gz AQUDFIOCOHKDRY-INIZCTEOSA-N 2 2 385.371 3.514 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000425191741 849783384 /nfs/dbraw/zinc/78/33/84/849783384.db2.gz XLUVRBIXASGNJN-QIJUGHKUSA-N 2 2 388.515 3.711 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000425191741 849783390 /nfs/dbraw/zinc/78/33/90/849783390.db2.gz XLUVRBIXASGNJN-QIJUGHKUSA-N 2 2 388.515 3.711 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000425191736 849783417 /nfs/dbraw/zinc/78/34/17/849783417.db2.gz XLUVRBIXASGNJN-BVYCBKJFSA-N 2 2 388.515 3.711 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000425191736 849783422 /nfs/dbraw/zinc/78/34/22/849783422.db2.gz XLUVRBIXASGNJN-BVYCBKJFSA-N 2 2 388.515 3.711 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)cc1 ZINC000423346582 849864144 /nfs/dbraw/zinc/86/41/44/849864144.db2.gz YRVYIXZCDZLFFN-TYCQWZJGSA-N 2 2 384.520 3.817 20 0 GHADLP C[NH+]1CCC([N@H+](CCO)Cc2cccc(OCCCc3ccccc3)c2)CC1 ZINC000434987691 849975595 /nfs/dbraw/zinc/97/55/95/849975595.db2.gz ORAVEFPEXSQHCX-UHFFFAOYSA-N 2 2 382.548 3.587 20 0 GHADLP C[NH+]1CCC([N@@H+](CCO)Cc2cccc(OCCCc3ccccc3)c2)CC1 ZINC000434987691 849975599 /nfs/dbraw/zinc/97/55/99/849975599.db2.gz ORAVEFPEXSQHCX-UHFFFAOYSA-N 2 2 382.548 3.587 20 0 GHADLP CC(C)[C@@H](CC1CCCCC1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604331517 862090305 /nfs/dbraw/zinc/09/03/05/862090305.db2.gz RFKRSVVWJZVINB-FCHUYYIVSA-N 2 2 377.617 3.856 20 0 GHADLP CC(C)[C@@H](CC1CCCCC1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604331517 862090314 /nfs/dbraw/zinc/09/03/14/862090314.db2.gz RFKRSVVWJZVINB-FCHUYYIVSA-N 2 2 377.617 3.856 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425286610 850145473 /nfs/dbraw/zinc/14/54/73/850145473.db2.gz UTYZZLPBUKRFSX-IFMALSPDSA-N 2 2 388.515 3.570 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425286610 850145481 /nfs/dbraw/zinc/14/54/81/850145481.db2.gz UTYZZLPBUKRFSX-IFMALSPDSA-N 2 2 388.515 3.570 20 0 GHADLP Fc1cc(Br)ccc1C1CC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000668693078 850145715 /nfs/dbraw/zinc/14/57/15/850145715.db2.gz QWMCKYXSUHYMEZ-QWFMPGPPSA-N 2 2 397.332 3.677 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000424163536 850269805 /nfs/dbraw/zinc/26/98/05/850269805.db2.gz VJUGRGKZILMARW-AWEZNQCLSA-N 2 2 375.419 3.718 20 0 GHADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000486960399 850300053 /nfs/dbraw/zinc/30/00/53/850300053.db2.gz ZHDNMFCMAAIBBR-HUUCEWRRSA-N 2 2 396.457 3.684 20 0 GHADLP CC[C@@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000504797671 850305721 /nfs/dbraw/zinc/30/57/21/850305721.db2.gz UUVITKYDDNLKFK-HSZRJFAPSA-N 2 2 388.515 3.668 20 0 GHADLP CC[C@@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000504797671 850305724 /nfs/dbraw/zinc/30/57/24/850305724.db2.gz UUVITKYDDNLKFK-HSZRJFAPSA-N 2 2 388.515 3.668 20 0 GHADLP COc1cc(C[C@@H](C)[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)ccn1 ZINC000638640238 850326824 /nfs/dbraw/zinc/32/68/24/850326824.db2.gz QJEULOKTVKFUJC-RTBURBONSA-N 2 2 383.536 3.511 20 0 GHADLP c1c(C[NH+]2CCC([NH2+]CC3CC3)CC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000435369193 850435146 /nfs/dbraw/zinc/43/51/46/850435146.db2.gz DDFVMMPOJCRKGN-UHFFFAOYSA-N 2 2 387.531 3.898 20 0 GHADLP C[N@H+](Cc1cc(Br)ccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435378915 850444448 /nfs/dbraw/zinc/44/44/48/850444448.db2.gz KOOKSYUBIIUGGJ-PBWFPOADSA-N 2 2 375.257 3.765 20 0 GHADLP C[N@@H+](Cc1cc(Br)ccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435378915 850444454 /nfs/dbraw/zinc/44/44/54/850444454.db2.gz KOOKSYUBIIUGGJ-PBWFPOADSA-N 2 2 375.257 3.765 20 0 GHADLP CC[N@H+](Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000435390790 850457367 /nfs/dbraw/zinc/45/73/67/850457367.db2.gz QJTDYDMLIFITIZ-INIZCTEOSA-N 2 2 377.330 3.803 20 0 GHADLP CC[N@@H+](Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000435390790 850457373 /nfs/dbraw/zinc/45/73/73/850457373.db2.gz QJTDYDMLIFITIZ-INIZCTEOSA-N 2 2 377.330 3.803 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1cc2cc(F)ccc2o1)[C@H]1CC12CC[NH2+]CC2 ZINC000435421730 850499828 /nfs/dbraw/zinc/49/98/28/850499828.db2.gz KUCBMFKPHNIPJG-FQEVSTJZSA-N 2 2 382.483 3.933 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1cc2cc(F)ccc2o1)[C@H]1CC12CC[NH2+]CC2 ZINC000435421730 850499836 /nfs/dbraw/zinc/49/98/36/850499836.db2.gz KUCBMFKPHNIPJG-FQEVSTJZSA-N 2 2 382.483 3.933 20 0 GHADLP COc1cc(C)c(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000435430442 850514613 /nfs/dbraw/zinc/51/46/13/850514613.db2.gz BOHXZZOKKZAFMG-IBGZPJMESA-N 2 2 387.549 3.613 20 0 GHADLP COc1cc(C)c(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000435430442 850514621 /nfs/dbraw/zinc/51/46/21/850514621.db2.gz BOHXZZOKKZAFMG-IBGZPJMESA-N 2 2 387.549 3.613 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1cc(C)c2ncccc2c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435438499 850526268 /nfs/dbraw/zinc/52/62/68/850526268.db2.gz OSSSHGBWFWEUHR-NRFANRHFSA-N 2 2 389.547 3.904 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1cc(C)c2ncccc2c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435438499 850526275 /nfs/dbraw/zinc/52/62/75/850526275.db2.gz OSSSHGBWFWEUHR-NRFANRHFSA-N 2 2 389.547 3.904 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)c1ccccc1 ZINC000487237754 850606256 /nfs/dbraw/zinc/60/62/56/850606256.db2.gz ZCSVTFPLFHRAOH-QFIPXVFZSA-N 2 2 381.520 3.843 20 0 GHADLP C[C@H]1CCN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000519101447 850626646 /nfs/dbraw/zinc/62/66/46/850626646.db2.gz XGCVYKJVLKAETR-FPOVZHCZSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@H]1CCN(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000519101447 850626649 /nfs/dbraw/zinc/62/66/49/850626649.db2.gz XGCVYKJVLKAETR-FPOVZHCZSA-N 2 2 395.551 3.530 20 0 GHADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436031343 851119977 /nfs/dbraw/zinc/11/99/77/851119977.db2.gz XPXPCGYLJRGVGE-MRXNPFEDSA-N 2 2 376.932 3.732 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000514077631 851210609 /nfs/dbraw/zinc/21/06/09/851210609.db2.gz WEISMNNJXCBCHD-OAQYLSRUSA-N 2 2 379.548 3.649 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000514077631 851210616 /nfs/dbraw/zinc/21/06/16/851210616.db2.gz WEISMNNJXCBCHD-OAQYLSRUSA-N 2 2 379.548 3.649 20 0 GHADLP CC[N@H+](Cc1cccnc1OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000488254273 851315357 /nfs/dbraw/zinc/31/53/57/851315357.db2.gz REVPBNVMDSZASO-UHFFFAOYSA-N 2 2 383.540 3.803 20 0 GHADLP CC[N@@H+](Cc1cccnc1OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000488254273 851315363 /nfs/dbraw/zinc/31/53/63/851315363.db2.gz REVPBNVMDSZASO-UHFFFAOYSA-N 2 2 383.540 3.803 20 0 GHADLP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000488312715 851385498 /nfs/dbraw/zinc/38/54/98/851385498.db2.gz RPZSFGBMJQNQNI-UHFFFAOYSA-N 2 2 386.565 3.802 20 0 GHADLP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000488348459 851415891 /nfs/dbraw/zinc/41/58/91/851415891.db2.gz WABMWLITIMROCW-UHFFFAOYSA-N 2 2 392.594 3.864 20 0 GHADLP O=C(NCc1ccco1)c1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000048748401 851484379 /nfs/dbraw/zinc/48/43/79/851484379.db2.gz CKHBAUNFEATDGF-UHFFFAOYSA-N 2 2 386.455 3.685 20 0 GHADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000509992454 851560994 /nfs/dbraw/zinc/56/09/94/851560994.db2.gz MRMXMHOZQQLKSN-NRFANRHFSA-N 2 2 381.564 3.511 20 0 GHADLP Fc1ccc(-n2ccc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)n2)cc1 ZINC000434748064 851615388 /nfs/dbraw/zinc/61/53/88/851615388.db2.gz SEVZBTVRLKRDAX-UHFFFAOYSA-N 2 2 379.483 3.924 20 0 GHADLP CC1(C)C[NH+](CCOCC[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)[C@@H]1c1ccncc1 ZINC000664831395 851710964 /nfs/dbraw/zinc/71/09/64/851710964.db2.gz CZPFTQUEYJKBFL-SZPZYZBQSA-N 2 2 394.563 3.959 20 0 GHADLP CC1(C)C[NH+](CCOCC[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)[C@@H]1c1ccncc1 ZINC000664831395 851710969 /nfs/dbraw/zinc/71/09/69/851710969.db2.gz CZPFTQUEYJKBFL-SZPZYZBQSA-N 2 2 394.563 3.959 20 0 GHADLP CC1(C)C[N@@H+](CCOCC[NH+]2CC(C)(C)[C@@H]2c2ccncc2)[C@@H]1c1ccncc1 ZINC000664831395 851710973 /nfs/dbraw/zinc/71/09/73/851710973.db2.gz CZPFTQUEYJKBFL-SZPZYZBQSA-N 2 2 394.563 3.959 20 0 GHADLP CC[C@@H](C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)[N@H+](C)Cc1ccccc1 ZINC000550161673 851768778 /nfs/dbraw/zinc/76/87/78/851768778.db2.gz SDOQTQUXJXBITM-GCJKJVERSA-N 2 2 376.504 3.960 20 0 GHADLP CC[C@@H](C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)[N@@H+](C)Cc1ccccc1 ZINC000550161673 851768784 /nfs/dbraw/zinc/76/87/84/851768784.db2.gz SDOQTQUXJXBITM-GCJKJVERSA-N 2 2 376.504 3.960 20 0 GHADLP CCCn1ccc2cc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)ccc21 ZINC000121979782 852098346 /nfs/dbraw/zinc/09/83/46/852098346.db2.gz JVLHEIWEMAHNCO-UHFFFAOYSA-N 2 2 397.567 3.731 20 0 GHADLP CN(C)[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccsc1 ZINC000516109749 852177688 /nfs/dbraw/zinc/17/76/88/852177688.db2.gz SAMYFWVAZVAVFU-NRFANRHFSA-N 2 2 375.557 3.787 20 0 GHADLP C[NH+](C)[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccsc1 ZINC000516109749 852177693 /nfs/dbraw/zinc/17/76/93/852177693.db2.gz SAMYFWVAZVAVFU-NRFANRHFSA-N 2 2 375.557 3.787 20 0 GHADLP Cn1cc[nH+]c1C[C@@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000667961712 862336560 /nfs/dbraw/zinc/33/65/60/862336560.db2.gz SEJIRJPLTAJBTC-NHCUHLMSSA-N 2 2 376.504 3.513 20 0 GHADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426038457 852496397 /nfs/dbraw/zinc/49/63/97/852496397.db2.gz ZBZSSNZOKSONCO-VXKWHMMOSA-N 2 2 387.955 3.701 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC[C@]4(C3)CCc3ccccc3O4)C2)cc1 ZINC000516515054 852670256 /nfs/dbraw/zinc/67/02/56/852670256.db2.gz IUTDAGXDDZXACN-ZCYQVOJMSA-N 2 2 392.543 3.747 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC[C@]4(C3)CCc3ccccc3O4)C2)cc1 ZINC000516515054 852670268 /nfs/dbraw/zinc/67/02/68/852670268.db2.gz IUTDAGXDDZXACN-ZCYQVOJMSA-N 2 2 392.543 3.747 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC[C@]4(C3)CCc3ccccc3O4)C2)cc1 ZINC000516515054 852670276 /nfs/dbraw/zinc/67/02/76/852670276.db2.gz IUTDAGXDDZXACN-ZCYQVOJMSA-N 2 2 392.543 3.747 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC[C@]4(C3)CCc3ccccc3O4)C2)cc1 ZINC000516515054 852670285 /nfs/dbraw/zinc/67/02/85/852670285.db2.gz IUTDAGXDDZXACN-ZCYQVOJMSA-N 2 2 392.543 3.747 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CC[C@@]4(C3)CCc3ccccc3O4)C2)cc1 ZINC000516515050 852670508 /nfs/dbraw/zinc/67/05/08/852670508.db2.gz IUTDAGXDDZXACN-ILBGXUMGSA-N 2 2 392.543 3.747 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CC[C@@]4(C3)CCc3ccccc3O4)C2)cc1 ZINC000516515050 852670513 /nfs/dbraw/zinc/67/05/13/852670513.db2.gz IUTDAGXDDZXACN-ILBGXUMGSA-N 2 2 392.543 3.747 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CC[C@@]4(C3)CCc3ccccc3O4)C2)cc1 ZINC000516515050 852670517 /nfs/dbraw/zinc/67/05/17/852670517.db2.gz IUTDAGXDDZXACN-ILBGXUMGSA-N 2 2 392.543 3.747 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CC[C@@]4(C3)CCc3ccccc3O4)C2)cc1 ZINC000516515050 852670521 /nfs/dbraw/zinc/67/05/21/852670521.db2.gz IUTDAGXDDZXACN-ILBGXUMGSA-N 2 2 392.543 3.747 20 0 GHADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)cc1 ZINC000414949023 852839753 /nfs/dbraw/zinc/83/97/53/852839753.db2.gz ZJVGJLKARDXVPJ-KSFYIVLOSA-N 2 2 377.488 3.855 20 0 GHADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000439032546 853209356 /nfs/dbraw/zinc/20/93/56/853209356.db2.gz GBXLHWSQFOIUGB-SFHVURJKSA-N 2 2 393.535 3.836 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)N3CCc4ccccc43)C2)s1 ZINC000516997000 853243291 /nfs/dbraw/zinc/24/32/91/853243291.db2.gz ZKPWXRUDAMJBKV-RTBURBONSA-N 2 2 397.588 3.788 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)N3CCc4ccccc43)C2)s1 ZINC000516997000 853243297 /nfs/dbraw/zinc/24/32/97/853243297.db2.gz ZKPWXRUDAMJBKV-RTBURBONSA-N 2 2 397.588 3.788 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N3CCc4ccccc43)C2)s1 ZINC000516997000 853243305 /nfs/dbraw/zinc/24/33/05/853243305.db2.gz ZKPWXRUDAMJBKV-RTBURBONSA-N 2 2 397.588 3.788 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N3CCc4ccccc43)C2)s1 ZINC000516997000 853243312 /nfs/dbraw/zinc/24/33/12/853243312.db2.gz ZKPWXRUDAMJBKV-RTBURBONSA-N 2 2 397.588 3.788 20 0 GHADLP Brc1ccn2cc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC000519671124 853379320 /nfs/dbraw/zinc/37/93/20/853379320.db2.gz JWDBKKHURICGRL-KRWDZBQOSA-N 2 2 399.336 3.709 20 0 GHADLP Brc1ccn2cc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nc2c1 ZINC000519671124 853379331 /nfs/dbraw/zinc/37/93/31/853379331.db2.gz JWDBKKHURICGRL-KRWDZBQOSA-N 2 2 399.336 3.709 20 0 GHADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059830 853432580 /nfs/dbraw/zinc/43/25/80/853432580.db2.gz JKRTWQVXOFRQKQ-RTWAWAEBSA-N 2 2 383.580 3.548 20 0 GHADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059830 853432585 /nfs/dbraw/zinc/43/25/85/853432585.db2.gz JKRTWQVXOFRQKQ-RTWAWAEBSA-N 2 2 383.580 3.548 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC2CC[NH+](CC(C)C)CC2)c(C)c1 ZINC000440810623 853655615 /nfs/dbraw/zinc/65/56/15/853655615.db2.gz DHEBYPIMYHWNGS-QFIPXVFZSA-N 2 2 397.567 3.661 20 0 GHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441383008 854144550 /nfs/dbraw/zinc/14/45/50/854144550.db2.gz OTGOXLFYTONNOS-AVRDEDQJSA-N 2 2 392.503 3.867 20 0 GHADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000441394392 854177033 /nfs/dbraw/zinc/17/70/33/854177033.db2.gz OYTBFQAYMISQQU-GZGNHOFSSA-N 2 2 395.591 3.983 20 0 GHADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000441394392 854177040 /nfs/dbraw/zinc/17/70/40/854177040.db2.gz OYTBFQAYMISQQU-GZGNHOFSSA-N 2 2 395.591 3.983 20 0 GHADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000441394392 854177045 /nfs/dbraw/zinc/17/70/45/854177045.db2.gz OYTBFQAYMISQQU-GZGNHOFSSA-N 2 2 395.591 3.983 20 0 GHADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000441394392 854177050 /nfs/dbraw/zinc/17/70/50/854177050.db2.gz OYTBFQAYMISQQU-GZGNHOFSSA-N 2 2 395.591 3.983 20 0 GHADLP O=C(NCC1CC[NH+](C2CC2)CC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000571941236 854236957 /nfs/dbraw/zinc/23/69/57/854236957.db2.gz PRFWECAOMLKCIA-UHFFFAOYSA-N 2 2 393.535 3.882 20 0 GHADLP Cc1nc(-c2ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)s2)cs1 ZINC000588690300 854359957 /nfs/dbraw/zinc/35/99/57/854359957.db2.gz WFJHMZKOZBJZLN-QGZVFWFLSA-N 2 2 387.574 3.763 20 0 GHADLP Cc1nc(-c2ccc(C[NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)s2)cs1 ZINC000588690300 854359966 /nfs/dbraw/zinc/35/99/66/854359966.db2.gz WFJHMZKOZBJZLN-QGZVFWFLSA-N 2 2 387.574 3.763 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1N(C)c1ccccc1 ZINC000112921610 854362135 /nfs/dbraw/zinc/36/21/35/854362135.db2.gz AADBUCLDLJLASS-UHFFFAOYSA-N 2 2 394.563 3.553 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1N(C)c1ccccc1 ZINC000112921610 854362139 /nfs/dbraw/zinc/36/21/39/854362139.db2.gz AADBUCLDLJLASS-UHFFFAOYSA-N 2 2 394.563 3.553 20 0 GHADLP Cc1csc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000459018902 855208519 /nfs/dbraw/zinc/20/85/19/855208519.db2.gz MZKGEGZUSFAEOD-VQTJNVASSA-N 2 2 392.613 3.535 20 0 GHADLP Cc1csc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000459018902 855208529 /nfs/dbraw/zinc/20/85/29/855208529.db2.gz MZKGEGZUSFAEOD-VQTJNVASSA-N 2 2 392.613 3.535 20 0 GHADLP Cc1csc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000459018899 855208636 /nfs/dbraw/zinc/20/86/36/855208636.db2.gz MZKGEGZUSFAEOD-UXHICEINSA-N 2 2 392.613 3.535 20 0 GHADLP Cc1csc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000459018899 855208645 /nfs/dbraw/zinc/20/86/45/855208645.db2.gz MZKGEGZUSFAEOD-UXHICEINSA-N 2 2 392.613 3.535 20 0 GHADLP O=C(NC[C@H]1[NH2+]CCc2ccccc21)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000556988137 881344759 /nfs/dbraw/zinc/34/47/59/881344759.db2.gz ZMIFRCWDAYXTBU-JOCHJYFZSA-N 2 2 399.498 3.610 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC[N@@H+](C)C2CCCCC2)c(C)c1 ZINC000441512726 855545832 /nfs/dbraw/zinc/54/58/32/855545832.db2.gz RCGVCIOMWQOJRV-JOCHJYFZSA-N 2 2 397.567 3.805 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC[N@H+](C)C2CCCCC2)c(C)c1 ZINC000441512726 855545839 /nfs/dbraw/zinc/54/58/39/855545839.db2.gz RCGVCIOMWQOJRV-JOCHJYFZSA-N 2 2 397.567 3.805 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000591076607 855747439 /nfs/dbraw/zinc/74/74/39/855747439.db2.gz RFDAUKOXPLFCKF-JOCHJYFZSA-N 2 2 381.520 3.540 20 0 GHADLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000760839842 856143717 /nfs/dbraw/zinc/14/37/17/856143717.db2.gz DCVUCZXFJKTZDH-ZEQRLZLVSA-N 2 2 391.559 3.632 20 0 GHADLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000760839842 856143722 /nfs/dbraw/zinc/14/37/22/856143722.db2.gz DCVUCZXFJKTZDH-ZEQRLZLVSA-N 2 2 391.559 3.632 20 0 GHADLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000760839842 856143737 /nfs/dbraw/zinc/14/37/37/856143737.db2.gz DCVUCZXFJKTZDH-ZEQRLZLVSA-N 2 2 391.559 3.632 20 0 GHADLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000760839842 856143746 /nfs/dbraw/zinc/14/37/46/856143746.db2.gz DCVUCZXFJKTZDH-ZEQRLZLVSA-N 2 2 391.559 3.632 20 0 GHADLP [NH3+][C@H]1CC[C@H](N(Cc2c(C(F)(F)F)nc3n2CCCC3)c2cccc[nH+]2)CC1 ZINC000895113424 856182762 /nfs/dbraw/zinc/18/27/62/856182762.db2.gz GCDKNRIKXWEJFJ-SHTZXODSSA-N 2 2 393.457 3.910 20 0 GHADLP C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000485228813 856251196 /nfs/dbraw/zinc/25/11/96/856251196.db2.gz GOJWAPCWWUTQFV-IIBYNOLFSA-N 2 2 395.482 3.502 20 0 GHADLP Clc1ccc(I)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000405488134 856254931 /nfs/dbraw/zinc/25/49/31/856254931.db2.gz ZBWWUMQTEDEBIH-NSHDSACASA-N 2 2 390.696 3.519 20 0 GHADLP Clc1ccc(I)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000405488134 856254940 /nfs/dbraw/zinc/25/49/40/856254940.db2.gz ZBWWUMQTEDEBIH-NSHDSACASA-N 2 2 390.696 3.519 20 0 GHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccco1 ZINC000485245356 856257714 /nfs/dbraw/zinc/25/77/14/856257714.db2.gz MMDSAFKHOPGPKC-MAUKXSAKSA-N 2 2 399.470 3.533 20 0 GHADLP Cc1ccc([C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CCC2)cc1 ZINC000427708539 856621242 /nfs/dbraw/zinc/62/12/42/856621242.db2.gz ZUHFOSKEOBLXMC-XMMPIXPASA-N 2 2 392.547 3.560 20 0 GHADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCC[C@H]2c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465887374 856763942 /nfs/dbraw/zinc/76/39/42/856763942.db2.gz KSOHAHGVVINVTO-VXKWHMMOSA-N 2 2 398.595 3.572 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+][C@@H](C(N)=O)c3ccc(F)cc3)cc2)C1 ZINC000245406492 856828450 /nfs/dbraw/zinc/82/84/50/856828450.db2.gz XMOWUNVOJWADBE-DRSNIGMVSA-N 2 2 383.511 3.620 20 0 GHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000427897502 856834561 /nfs/dbraw/zinc/83/45/61/856834561.db2.gz RJCPPSKVMVRMRC-CVDCTZTESA-N 2 2 375.520 3.973 20 0 GHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000427897502 856834567 /nfs/dbraw/zinc/83/45/67/856834567.db2.gz RJCPPSKVMVRMRC-CVDCTZTESA-N 2 2 375.520 3.973 20 0 GHADLP CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465929889 857047887 /nfs/dbraw/zinc/04/78/87/857047887.db2.gz HTOPJCXNMVVWMR-LEWJYISDSA-N 2 2 392.632 3.841 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 ZINC000665256210 857101785 /nfs/dbraw/zinc/10/17/85/857101785.db2.gz SKKIQPMFJDMMCZ-MPHOGZCYSA-N 2 2 393.531 3.721 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000665257781 857159944 /nfs/dbraw/zinc/15/99/44/857159944.db2.gz USNUCDLGZVBTDX-NLSFWIRASA-N 3 2 385.527 3.562 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000142958564 857185361 /nfs/dbraw/zinc/18/53/61/857185361.db2.gz DVFXPAUVMLWVEX-UHFFFAOYSA-N 2 2 381.520 3.613 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCc3ccccc32)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012364 857357743 /nfs/dbraw/zinc/35/77/43/857357743.db2.gz ZEOJSJMIGRYOKX-HATOLVCRSA-N 2 2 377.532 3.607 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCc3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012364 857357755 /nfs/dbraw/zinc/35/77/55/857357755.db2.gz ZEOJSJMIGRYOKX-HATOLVCRSA-N 2 2 377.532 3.607 20 0 GHADLP c1cn(CCCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)c[nH+]1 ZINC000520946903 857412506 /nfs/dbraw/zinc/41/25/06/857412506.db2.gz UAOQHNONCOPQQQ-UHFFFAOYSA-N 2 2 386.503 3.760 20 0 GHADLP CC(C)Cc1cccc([C@@H](C)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671720603 857446349 /nfs/dbraw/zinc/44/63/49/857446349.db2.gz PKDMVSZHLBYLPI-AUSIDOKSSA-N 2 2 385.596 3.616 20 0 GHADLP CC(C)Cc1cccc([C@@H](C)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671720603 857446351 /nfs/dbraw/zinc/44/63/51/857446351.db2.gz PKDMVSZHLBYLPI-AUSIDOKSSA-N 2 2 385.596 3.616 20 0 GHADLP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cnc21 ZINC000282225212 857460018 /nfs/dbraw/zinc/46/00/18/857460018.db2.gz ZANVPDHETWSZJZ-GOSISDBHSA-N 2 2 378.524 3.925 20 0 GHADLP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cnc21 ZINC000282225212 857460026 /nfs/dbraw/zinc/46/00/26/857460026.db2.gz ZANVPDHETWSZJZ-GOSISDBHSA-N 2 2 378.524 3.925 20 0 GHADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc2ccccc2c1 ZINC000675499904 857476220 /nfs/dbraw/zinc/47/62/20/857476220.db2.gz SIHYEEFJKGGZIM-RTBURBONSA-N 2 2 388.515 3.623 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Oc2ccccc2)cc1 ZINC000675885487 857660134 /nfs/dbraw/zinc/66/01/34/857660134.db2.gz CIARTWAMJNMBPA-IRLDBZIGSA-N 2 2 395.547 3.536 20 0 GHADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000675921655 857665970 /nfs/dbraw/zinc/66/59/70/857665970.db2.gz MQERUKZGCRMRMR-CVDCTZTESA-N 3 2 392.547 3.995 20 0 GHADLP Fc1cc(Br)ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064344469 857697552 /nfs/dbraw/zinc/69/75/52/857697552.db2.gz RJKSKNVNOHITBB-UHFFFAOYSA-N 2 2 385.321 3.523 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N(C)CCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000676191289 857769393 /nfs/dbraw/zinc/76/93/93/857769393.db2.gz IONVBWUCXQNKTN-SFHVURJKSA-N 2 2 396.457 3.834 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001170315149 881345525 /nfs/dbraw/zinc/34/55/25/881345525.db2.gz LRINGZILJBDDMQ-HSZRJFAPSA-N 2 2 388.502 3.712 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001170315149 881345539 /nfs/dbraw/zinc/34/55/39/881345539.db2.gz LRINGZILJBDDMQ-HSZRJFAPSA-N 2 2 388.502 3.712 20 0 GHADLP CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181660254 862959931 /nfs/dbraw/zinc/95/99/31/862959931.db2.gz YNDQIRLHRFJMFP-MJGOQNOKSA-N 2 2 383.517 3.775 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000676478758 857910338 /nfs/dbraw/zinc/91/03/38/857910338.db2.gz OYSVABDTLMYRDW-UNMCSNQZSA-N 2 2 390.487 3.909 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000676478758 857910345 /nfs/dbraw/zinc/91/03/45/857910345.db2.gz OYSVABDTLMYRDW-UNMCSNQZSA-N 2 2 390.487 3.909 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000067523558 858038054 /nfs/dbraw/zinc/03/80/54/858038054.db2.gz KNMRCSFSNWYRSA-UHFFFAOYSA-N 2 2 378.451 3.537 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000521535050 858084091 /nfs/dbraw/zinc/08/40/91/858084091.db2.gz FHCCDGFYIOXLDW-QFBILLFUSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000521535050 858084098 /nfs/dbraw/zinc/08/40/98/858084098.db2.gz FHCCDGFYIOXLDW-QFBILLFUSA-N 2 2 377.960 3.684 20 0 GHADLP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543063775 858146404 /nfs/dbraw/zinc/14/64/04/858146404.db2.gz SQSOODQQIYOMJS-QFIPXVFZSA-N 2 2 382.552 3.985 20 0 GHADLP C[C@H](OC[C@H](O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000761117638 858555680 /nfs/dbraw/zinc/55/56/80/858555680.db2.gz KFGXFVIFAFQEJO-OXJNMPFZSA-N 2 2 389.927 3.750 20 0 GHADLP O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000761116349 858567460 /nfs/dbraw/zinc/56/74/60/858567460.db2.gz BHZNEWHHFBDKLF-SFHVURJKSA-N 2 2 379.426 3.580 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(SC2CCCC2)cc1 ZINC000482641903 858716081 /nfs/dbraw/zinc/71/60/81/858716081.db2.gz LLWIIFCXDBQUNE-OXQOHEQNSA-N 2 2 375.582 3.712 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(SC2CCCC2)cc1 ZINC000482641903 858716088 /nfs/dbraw/zinc/71/60/88/858716088.db2.gz LLWIIFCXDBQUNE-OXQOHEQNSA-N 2 2 375.582 3.712 20 0 GHADLP Cc1cccc(COc2ccc([C@@H](C)[NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)cc2)c1 ZINC000482643645 858718287 /nfs/dbraw/zinc/71/82/87/858718287.db2.gz PZJZXZMPEYKECB-XXBNENTESA-N 2 2 395.547 3.564 20 0 GHADLP Cc1cccc(COc2ccc([C@@H](C)[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)cc2)c1 ZINC000482643645 858718289 /nfs/dbraw/zinc/71/82/89/858718289.db2.gz PZJZXZMPEYKECB-XXBNENTESA-N 2 2 395.547 3.564 20 0 GHADLP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000482648633 858722043 /nfs/dbraw/zinc/72/20/43/858722043.db2.gz NWKPAWBGYWXSQA-QZTJIDSGSA-N 2 2 385.474 3.722 20 0 GHADLP CC(C)C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000482648633 858722053 /nfs/dbraw/zinc/72/20/53/858722053.db2.gz NWKPAWBGYWXSQA-QZTJIDSGSA-N 2 2 385.474 3.722 20 0 GHADLP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000183699422 858800763 /nfs/dbraw/zinc/80/07/63/858800763.db2.gz OBCRZZOKCIWMOF-XMMPIXPASA-N 2 2 385.596 3.619 20 0 GHADLP COc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000625795847 858922393 /nfs/dbraw/zinc/92/23/93/858922393.db2.gz ZUPZYZGDVFTUTD-QGZVFWFLSA-N 2 2 378.314 3.961 20 0 GHADLP COc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000625795847 858922402 /nfs/dbraw/zinc/92/24/02/858922402.db2.gz ZUPZYZGDVFTUTD-QGZVFWFLSA-N 2 2 378.314 3.961 20 0 GHADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000116396036 858958588 /nfs/dbraw/zinc/95/85/88/858958588.db2.gz UCLIOKJQQJQSBD-RISCZKNCSA-N 2 2 375.344 3.671 20 0 GHADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000596691621 859008931 /nfs/dbraw/zinc/00/89/31/859008931.db2.gz QBODJTNYYDBGGO-UHFFFAOYSA-N 2 2 389.927 3.632 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(Cl)ccc3F)C2)ccn1 ZINC000856552248 881373132 /nfs/dbraw/zinc/37/31/32/881373132.db2.gz KFEJECBMJCFKBJ-LJQANCHMSA-N 2 2 377.891 3.979 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(Cl)ccc3F)C2)ccn1 ZINC000856552248 881373147 /nfs/dbraw/zinc/37/31/47/881373147.db2.gz KFEJECBMJCFKBJ-LJQANCHMSA-N 2 2 377.891 3.979 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3F)C2)ccn1 ZINC000856552248 881373166 /nfs/dbraw/zinc/37/31/66/881373166.db2.gz KFEJECBMJCFKBJ-LJQANCHMSA-N 2 2 377.891 3.979 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3F)C2)ccn1 ZINC000856552248 881373184 /nfs/dbraw/zinc/37/31/84/881373184.db2.gz KFEJECBMJCFKBJ-LJQANCHMSA-N 2 2 377.891 3.979 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000568164213 859060052 /nfs/dbraw/zinc/06/00/52/859060052.db2.gz MQDGTYLFIWXMPO-HSZRJFAPSA-N 2 2 394.563 3.525 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000568164213 859060065 /nfs/dbraw/zinc/06/00/65/859060065.db2.gz MQDGTYLFIWXMPO-HSZRJFAPSA-N 2 2 394.563 3.525 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1nc2ccc(F)cc2s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185767670 859126657 /nfs/dbraw/zinc/12/66/57/859126657.db2.gz YVFMREMZGKCVMN-UONOGXRCSA-N 2 2 390.528 3.617 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1nc2ccc(F)cc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185767670 859126661 /nfs/dbraw/zinc/12/66/61/859126661.db2.gz YVFMREMZGKCVMN-UONOGXRCSA-N 2 2 390.528 3.617 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000191488014 859179765 /nfs/dbraw/zinc/17/97/65/859179765.db2.gz RVMRTMZFDLPNBJ-UHFFFAOYSA-N 2 2 385.537 3.714 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000191488014 859179774 /nfs/dbraw/zinc/17/97/74/859179774.db2.gz RVMRTMZFDLPNBJ-UHFFFAOYSA-N 2 2 385.537 3.714 20 0 GHADLP CN(C(=O)c1cc2c(s1)CCCCCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478953 859290412 /nfs/dbraw/zinc/29/04/12/859290412.db2.gz PVVBUUIIVUFEHY-IBGZPJMESA-N 2 2 389.609 3.648 20 0 GHADLP CN(C(=O)c1cc2c(s1)CCCCCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478953 859290424 /nfs/dbraw/zinc/29/04/24/859290424.db2.gz PVVBUUIIVUFEHY-IBGZPJMESA-N 2 2 389.609 3.648 20 0 GHADLP CN(C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477718 859290557 /nfs/dbraw/zinc/29/05/57/859290557.db2.gz TWSLVOSQUNCPAU-RWXWVKOVSA-N 2 2 387.612 3.610 20 0 GHADLP CN(C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477718 859290568 /nfs/dbraw/zinc/29/05/68/859290568.db2.gz TWSLVOSQUNCPAU-RWXWVKOVSA-N 2 2 387.612 3.610 20 0 GHADLP CN(C(=O)c1ccccc1Nc1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478594 859291915 /nfs/dbraw/zinc/29/19/15/859291915.db2.gz PMNKOQUDXILNJE-NRFANRHFSA-N 2 2 392.547 3.671 20 0 GHADLP CN(C(=O)c1ccccc1Nc1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478594 859291921 /nfs/dbraw/zinc/29/19/21/859291921.db2.gz PMNKOQUDXILNJE-NRFANRHFSA-N 2 2 392.547 3.671 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)c(F)c1 ZINC000597223310 859375008 /nfs/dbraw/zinc/37/50/08/859375008.db2.gz UYLJOFNYBUOLQP-QGZVFWFLSA-N 2 2 384.495 3.798 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1nnn(-c3cccc(Cl)c3)c1C)CCC2 ZINC000483443598 859378163 /nfs/dbraw/zinc/37/81/63/859378163.db2.gz DDDKCTDIFPSSQY-GDBMZVCRSA-N 2 2 384.915 3.962 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC[C@H]21 ZINC000483484628 859406640 /nfs/dbraw/zinc/40/66/40/859406640.db2.gz JORWQGYBXWKNGA-QIJUGHKUSA-N 2 2 381.495 3.922 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC[C@H]21 ZINC000483484628 859406649 /nfs/dbraw/zinc/40/66/49/859406649.db2.gz JORWQGYBXWKNGA-QIJUGHKUSA-N 2 2 381.495 3.922 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC[C@H]21 ZINC000483484628 859406652 /nfs/dbraw/zinc/40/66/52/859406652.db2.gz JORWQGYBXWKNGA-QIJUGHKUSA-N 2 2 381.495 3.922 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC[C@H]21 ZINC000483484628 859406659 /nfs/dbraw/zinc/40/66/59/859406659.db2.gz JORWQGYBXWKNGA-QIJUGHKUSA-N 2 2 381.495 3.922 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000509445070 859455729 /nfs/dbraw/zinc/45/57/29/859455729.db2.gz YRLSSQLSSFRHEE-QHCPKHFHSA-N 3 2 389.547 3.966 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000509445070 859455737 /nfs/dbraw/zinc/45/57/37/859455737.db2.gz YRLSSQLSSFRHEE-QHCPKHFHSA-N 3 2 389.547 3.966 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191835924 859515495 /nfs/dbraw/zinc/51/54/95/859515495.db2.gz POLGSHPKQYBXIB-WIYYLYMNSA-N 2 2 384.520 3.646 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191835924 859515502 /nfs/dbraw/zinc/51/55/02/859515502.db2.gz POLGSHPKQYBXIB-WIYYLYMNSA-N 2 2 384.520 3.646 20 0 GHADLP COc1ccccc1C[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@H]1CCCO1 ZINC000543397879 859565294 /nfs/dbraw/zinc/56/52/94/859565294.db2.gz JBKHPASTEQGZEW-JOCHJYFZSA-N 2 2 392.503 3.766 20 0 GHADLP COc1ccccc1C[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@H]1CCCO1 ZINC000543397879 859565298 /nfs/dbraw/zinc/56/52/98/859565298.db2.gz JBKHPASTEQGZEW-JOCHJYFZSA-N 2 2 392.503 3.766 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000483837588 859654618 /nfs/dbraw/zinc/65/46/18/859654618.db2.gz WLRLBAZCAISMJY-JKSUJKDBSA-N 2 2 384.505 3.656 20 0 GHADLP Cc1cc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c2cccnc2)ccc1F ZINC000543425071 859673284 /nfs/dbraw/zinc/67/32/84/859673284.db2.gz MOUKRRDZNDDQMF-SGNDLWITSA-N 2 2 397.538 3.976 20 0 GHADLP Cc1cc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c2cccnc2)ccc1F ZINC000543425074 859673694 /nfs/dbraw/zinc/67/36/94/859673694.db2.gz MOUKRRDZNDDQMF-SMIHKQSGSA-N 2 2 397.538 3.976 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000484074650 859789353 /nfs/dbraw/zinc/78/93/53/859789353.db2.gz JKAGJJPVGGBXRE-FQEVSTJZSA-N 2 2 393.466 3.716 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000484074650 859789363 /nfs/dbraw/zinc/78/93/63/859789363.db2.gz JKAGJJPVGGBXRE-FQEVSTJZSA-N 2 2 393.466 3.716 20 0 GHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCSc4c(F)cccc43)cc2)CC1 ZINC000268855804 859810697 /nfs/dbraw/zinc/81/06/97/859810697.db2.gz XJZANNIZVZWEMG-FQEVSTJZSA-N 2 2 399.535 3.540 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000484130915 859841091 /nfs/dbraw/zinc/84/10/91/859841091.db2.gz QEDAMMNRDGIZGM-UZLBHIALSA-N 2 2 378.438 3.993 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000484130915 859841099 /nfs/dbraw/zinc/84/10/99/859841099.db2.gz QEDAMMNRDGIZGM-UZLBHIALSA-N 2 2 378.438 3.993 20 0 GHADLP Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)[NH+]2CCCC2)o1 ZINC000474317689 859844699 /nfs/dbraw/zinc/84/46/99/859844699.db2.gz XVNPABIKLPBHKC-RTWAWAEBSA-N 2 2 399.510 3.645 20 0 GHADLP Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)[NH+]2CCCC2)o1 ZINC000474317689 859844711 /nfs/dbraw/zinc/84/47/11/859844711.db2.gz XVNPABIKLPBHKC-RTWAWAEBSA-N 2 2 399.510 3.645 20 0 GHADLP CC(C)c1ccc(C2(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CCCC2)cc1 ZINC000602202412 859848871 /nfs/dbraw/zinc/84/88/71/859848871.db2.gz JNXSAZWUAPPCAS-JOCHJYFZSA-N 2 2 397.607 3.907 20 0 GHADLP CC(C)c1ccc(C2(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CCCC2)cc1 ZINC000602202412 859848881 /nfs/dbraw/zinc/84/88/81/859848881.db2.gz JNXSAZWUAPPCAS-JOCHJYFZSA-N 2 2 397.607 3.907 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(F)c(F)cc3F)C2)ccn1 ZINC000856562184 881470515 /nfs/dbraw/zinc/47/05/15/881470515.db2.gz ZVJHNUQNNDIULX-GOSISDBHSA-N 2 2 393.453 3.992 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(F)c(F)cc3F)C2)ccn1 ZINC000856562184 881470525 /nfs/dbraw/zinc/47/05/25/881470525.db2.gz ZVJHNUQNNDIULX-GOSISDBHSA-N 2 2 393.453 3.992 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(F)c(F)cc3F)C2)ccn1 ZINC000856562184 881470534 /nfs/dbraw/zinc/47/05/34/881470534.db2.gz ZVJHNUQNNDIULX-GOSISDBHSA-N 2 2 393.453 3.992 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3F)C2)ccn1 ZINC000856562184 881470543 /nfs/dbraw/zinc/47/05/43/881470543.db2.gz ZVJHNUQNNDIULX-GOSISDBHSA-N 2 2 393.453 3.992 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)c1 ZINC000895765334 859917614 /nfs/dbraw/zinc/91/76/14/859917614.db2.gz MTXUGLCQDWCECL-FQEVSTJZSA-N 2 2 392.507 3.797 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)c1 ZINC000895765334 859917621 /nfs/dbraw/zinc/91/76/21/859917621.db2.gz MTXUGLCQDWCECL-FQEVSTJZSA-N 2 2 392.507 3.797 20 0 GHADLP CCc1cccc(Cl)c1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000474361848 859928830 /nfs/dbraw/zinc/92/88/30/859928830.db2.gz KNGRFMVZAGBSAE-UHFFFAOYSA-N 2 2 388.939 3.903 20 0 GHADLP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C12CCC2 ZINC001170385889 881500989 /nfs/dbraw/zinc/50/09/89/881500989.db2.gz KHFNOVPFKOHKTE-NHCUHLMSSA-N 2 2 391.987 3.789 20 0 GHADLP CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000015550613 860131340 /nfs/dbraw/zinc/13/13/40/860131340.db2.gz YMAFYCWYJRMTKS-QHCPKHFHSA-N 2 2 399.510 3.583 20 0 GHADLP C[C@@H]1CC([NH2+]Cc2ccnc(OC3CCC3)n2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168036161 860231419 /nfs/dbraw/zinc/23/14/19/860231419.db2.gz UGHHIRJQOCWKLP-QZTJIDSGSA-N 2 2 380.536 3.939 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000124801153 860291770 /nfs/dbraw/zinc/29/17/70/860291770.db2.gz AMBIPCOVMHHSRO-MOPGFXCFSA-N 2 2 377.598 3.774 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000124801153 860291785 /nfs/dbraw/zinc/29/17/85/860291785.db2.gz AMBIPCOVMHHSRO-MOPGFXCFSA-N 2 2 377.598 3.774 20 0 GHADLP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000474546043 860332048 /nfs/dbraw/zinc/33/20/48/860332048.db2.gz VBXCICLCOWNCMX-QFIPXVFZSA-N 2 2 399.510 3.759 20 0 GHADLP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000474546043 860332052 /nfs/dbraw/zinc/33/20/52/860332052.db2.gz VBXCICLCOWNCMX-QFIPXVFZSA-N 2 2 399.510 3.759 20 0 GHADLP Cc1nc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)nc2ccccc12 ZINC000765638337 860372751 /nfs/dbraw/zinc/37/27/51/860372751.db2.gz KQEWCHGDHZEKNM-UHFFFAOYSA-N 2 2 375.520 3.763 20 0 GHADLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000191837414 860375289 /nfs/dbraw/zinc/37/52/89/860375289.db2.gz QVGNRQCNBXCAAX-OALUTQOASA-N 2 2 385.577 3.964 20 0 GHADLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000191837414 860375297 /nfs/dbraw/zinc/37/52/97/860375297.db2.gz QVGNRQCNBXCAAX-OALUTQOASA-N 2 2 385.577 3.964 20 0 GHADLP C[NH+](C)C1CC[NH+](CCNc2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000484813643 860383665 /nfs/dbraw/zinc/38/36/65/860383665.db2.gz MYRLRZMEFBSCKS-UHFFFAOYSA-N 2 2 399.539 3.935 20 0 GHADLP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cc(Cl)cc(Cl)c1F ZINC000922670900 860449202 /nfs/dbraw/zinc/44/92/02/860449202.db2.gz ZZRIPEHTUQHGRW-LBPRGKRZSA-N 2 2 398.313 3.525 20 0 GHADLP Fc1cccc(Br)c1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904475198 860466731 /nfs/dbraw/zinc/46/67/31/860466731.db2.gz ZMFUACAEJCSVSO-HKUYNNGSSA-N 2 2 391.284 3.934 20 0 GHADLP CC(C)C[C@H](C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000474614494 860502159 /nfs/dbraw/zinc/50/21/59/860502159.db2.gz WGXBXIVLNUDHNK-JOCHJYFZSA-N 2 2 394.563 3.540 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n2c1CCCC2 ZINC000598671385 860509008 /nfs/dbraw/zinc/50/90/08/860509008.db2.gz BDCRJSLJAYEZTM-QGZVFWFLSA-N 2 2 396.535 3.523 20 0 GHADLP COC(=O)c1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n2c1CCCC2 ZINC000598671385 860509015 /nfs/dbraw/zinc/50/90/15/860509015.db2.gz BDCRJSLJAYEZTM-QGZVFWFLSA-N 2 2 396.535 3.523 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000904640607 860540430 /nfs/dbraw/zinc/54/04/30/860540430.db2.gz PSHVNVBXHAOMEP-PKOBYXMFSA-N 2 2 392.425 3.520 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000904640607 860540433 /nfs/dbraw/zinc/54/04/33/860540433.db2.gz PSHVNVBXHAOMEP-PKOBYXMFSA-N 2 2 392.425 3.520 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000532235130 881588083 /nfs/dbraw/zinc/58/80/83/881588083.db2.gz YYQWHIZMFRUQNQ-JXFKEZNVSA-N 2 2 378.438 3.993 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000532235130 881588090 /nfs/dbraw/zinc/58/80/90/881588090.db2.gz YYQWHIZMFRUQNQ-JXFKEZNVSA-N 2 2 378.438 3.993 20 0 GHADLP Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000669694778 861103581 /nfs/dbraw/zinc/10/35/81/861103581.db2.gz KUPCZGKPWUSORA-QGZVFWFLSA-N 2 2 377.492 3.957 20 0 GHADLP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000669694778 861103590 /nfs/dbraw/zinc/10/35/90/861103590.db2.gz KUPCZGKPWUSORA-QGZVFWFLSA-N 2 2 377.492 3.957 20 0 GHADLP C[C@@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1c(Cl)cccc1Cl ZINC000625209005 861167409 /nfs/dbraw/zinc/16/74/09/861167409.db2.gz HDLLPUXWDWDMJJ-CQSZACIVSA-N 2 2 398.378 3.772 20 0 GHADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](CCSc1ccc(F)cc1)c1ccc(F)cc1 ZINC000482616371 863387911 /nfs/dbraw/zinc/38/79/11/863387911.db2.gz ABJWESHSERTSMH-ICSRJNTNSA-N 2 2 380.504 3.700 20 0 GHADLP CN(C(=O)C1(c2cccs2)CCCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000606370773 863565999 /nfs/dbraw/zinc/56/59/99/863565999.db2.gz YECJLSTUGQUIFO-IBGZPJMESA-N 2 2 389.609 3.577 20 0 GHADLP CN(C(=O)C1(c2cccs2)CCCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000606370773 863566010 /nfs/dbraw/zinc/56/60/10/863566010.db2.gz YECJLSTUGQUIFO-IBGZPJMESA-N 2 2 389.609 3.577 20 0 GHADLP Cc1cn2cc(NC(=O)NCC(C)(C)[N@@H+]3CCc4ccccc4C3)ccc2[nH+]1 ZINC000606569993 863713278 /nfs/dbraw/zinc/71/32/78/863713278.db2.gz LTOUMFQCLNLUJJ-UHFFFAOYSA-N 2 2 377.492 3.601 20 0 GHADLP Cc1cn2cc(NC(=O)NCC(C)(C)[N@H+]3CCc4ccccc4C3)ccc2[nH+]1 ZINC000606569993 863713283 /nfs/dbraw/zinc/71/32/83/863713283.db2.gz LTOUMFQCLNLUJJ-UHFFFAOYSA-N 2 2 377.492 3.601 20 0 GHADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3sccc3C[NH+](C)C)c2)C[C@@H](C)O1 ZINC000532298839 881713937 /nfs/dbraw/zinc/71/39/37/881713937.db2.gz QORMMDDJIRZVGD-HZPDHXFCSA-N 2 2 387.549 3.671 20 0 GHADLP Cc1cc(Br)cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1OC(F)F ZINC000494432918 881715530 /nfs/dbraw/zinc/71/55/30/881715530.db2.gz CITCKNGWAIGPHO-CYBMUJFWSA-N 2 2 386.240 3.660 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000159001779 864007769 /nfs/dbraw/zinc/00/77/69/864007769.db2.gz RWCPJJLNORSFPG-INIZCTEOSA-N 2 2 379.495 3.880 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000159001779 864007781 /nfs/dbraw/zinc/00/77/81/864007781.db2.gz RWCPJJLNORSFPG-INIZCTEOSA-N 2 2 379.495 3.880 20 0 GHADLP C[N@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172806059 864008405 /nfs/dbraw/zinc/00/84/05/864008405.db2.gz MMZJTMOKRVSKMY-JOCHJYFZSA-N 2 2 379.504 3.608 20 0 GHADLP C[N@@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172806059 864008418 /nfs/dbraw/zinc/00/84/18/864008418.db2.gz MMZJTMOKRVSKMY-JOCHJYFZSA-N 2 2 379.504 3.608 20 0 GHADLP Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000159159765 864050478 /nfs/dbraw/zinc/05/04/78/864050478.db2.gz IAJWQOKWVKTXKI-UHFFFAOYSA-N 2 2 394.563 3.596 20 0 GHADLP Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000159159765 864050496 /nfs/dbraw/zinc/05/04/96/864050496.db2.gz IAJWQOKWVKTXKI-UHFFFAOYSA-N 2 2 394.563 3.596 20 0 GHADLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1nc(-c2ccccc2)cs1 ZINC000159200828 864063428 /nfs/dbraw/zinc/06/34/28/864063428.db2.gz RLRNKMZVKGGKBC-KRWDZBQOSA-N 2 2 393.560 3.808 20 0 GHADLP C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccccn1 ZINC000159219061 864424397 /nfs/dbraw/zinc/42/43/97/864424397.db2.gz SEFLGKMXEBVYOO-HNNXBMFYSA-N 2 2 378.442 3.703 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000067500608 864532952 /nfs/dbraw/zinc/53/29/52/864532952.db2.gz QSYBJNADKRHWOR-CQSZACIVSA-N 2 2 375.879 3.655 20 0 GHADLP Cc1cc(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)ccc1-n1cncn1 ZINC000494483931 881781076 /nfs/dbraw/zinc/78/10/76/881781076.db2.gz OXOZZUUBJYLBLP-HSZRJFAPSA-N 2 2 375.520 3.720 20 0 GHADLP Cc1cc(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)ccc1-n1cncn1 ZINC000494483931 881781090 /nfs/dbraw/zinc/78/10/90/881781090.db2.gz OXOZZUUBJYLBLP-HSZRJFAPSA-N 2 2 375.520 3.720 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2ccc(OC3CCCC3)cc2)([NH+]2CCCCC2)CC1 ZINC000607876200 864785288 /nfs/dbraw/zinc/78/52/88/864785288.db2.gz HLXCIDQGFPQPFW-UHFFFAOYSA-N 2 2 399.579 3.688 20 0 GHADLP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(-c2cccs2)n1 ZINC000475360076 864855455 /nfs/dbraw/zinc/85/54/55/864855455.db2.gz ZZKVLWNDPBNDQE-KDURUIRLSA-N 2 2 378.545 3.712 20 0 GHADLP Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(-c2cccs2)n1 ZINC000475360076 864855464 /nfs/dbraw/zinc/85/54/64/864855464.db2.gz ZZKVLWNDPBNDQE-KDURUIRLSA-N 2 2 378.545 3.712 20 0 GHADLP Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(-c2cccs2)n1 ZINC000475360076 864855477 /nfs/dbraw/zinc/85/54/77/864855477.db2.gz ZZKVLWNDPBNDQE-KDURUIRLSA-N 2 2 378.545 3.712 20 0 GHADLP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(-c2cccs2)n1 ZINC000475360076 864855493 /nfs/dbraw/zinc/85/54/93/864855493.db2.gz ZZKVLWNDPBNDQE-KDURUIRLSA-N 2 2 378.545 3.712 20 0 GHADLP CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)Cn1nccc1-c1ccncc1 ZINC000173550080 864867687 /nfs/dbraw/zinc/86/76/87/864867687.db2.gz JVLFDILKGHKTMG-OAQYLSRUSA-N 2 2 375.520 3.747 20 0 GHADLP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)Cn1nccc1-c1ccncc1 ZINC000173550080 864867700 /nfs/dbraw/zinc/86/77/00/864867700.db2.gz JVLFDILKGHKTMG-OAQYLSRUSA-N 2 2 375.520 3.747 20 0 GHADLP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)Cn1nccc1-c1ccncc1 ZINC000173550080 864867719 /nfs/dbraw/zinc/86/77/19/864867719.db2.gz JVLFDILKGHKTMG-OAQYLSRUSA-N 2 2 375.520 3.747 20 0 GHADLP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1nccc1-c1ccncc1 ZINC000173550080 864867737 /nfs/dbraw/zinc/86/77/37/864867737.db2.gz JVLFDILKGHKTMG-OAQYLSRUSA-N 2 2 375.520 3.747 20 0 GHADLP COc1cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc(OC)c1OC ZINC000608071850 864962051 /nfs/dbraw/zinc/96/20/51/864962051.db2.gz KGKIMNOBURFCIJ-SFHVURJKSA-N 2 2 381.476 3.520 20 0 GHADLP COc1cc2c(c(C[NH2+][C@H](Cc3[nH+]ccn3C)c3ccccc3)c1)O[C@@H](C)C2 ZINC000608074485 864965150 /nfs/dbraw/zinc/96/51/50/864965150.db2.gz SMOUFPBVXWTHOZ-HRAATJIYSA-N 2 2 377.488 3.826 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccccc1 ZINC000608075752 864965546 /nfs/dbraw/zinc/96/55/46/864965546.db2.gz XAFZEYPPACCKLR-GOSISDBHSA-N 2 2 383.879 3.918 20 0 GHADLP C[C@@H]1CC([NH+]2CCN(c3nccc(Cl)n3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065498 865080314 /nfs/dbraw/zinc/08/03/14/865080314.db2.gz WXLWVASOHBALGQ-QZTJIDSGSA-N 2 2 399.970 3.694 20 0 GHADLP FC(F)(F)Cn1cc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cn1 ZINC000554888631 865091911 /nfs/dbraw/zinc/09/19/11/865091911.db2.gz QVQXRZCXECFULZ-QZTJIDSGSA-N 2 2 375.398 3.660 20 0 GHADLP Cn1cc[nH+]c1C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000608206910 865101056 /nfs/dbraw/zinc/10/10/56/865101056.db2.gz NGGBCMFECNHBBN-JOCHJYFZSA-N 2 2 388.515 3.730 20 0 GHADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC000622614887 865114618 /nfs/dbraw/zinc/11/46/18/865114618.db2.gz ALWDBNYNTBJWBF-FQEVSTJZSA-N 2 2 388.943 3.604 20 0 GHADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC000622614887 865114624 /nfs/dbraw/zinc/11/46/24/865114624.db2.gz ALWDBNYNTBJWBF-FQEVSTJZSA-N 2 2 388.943 3.604 20 0 GHADLP O=C(C[NH+]1CCC(Nc2cc[nH+]c3cc(F)ccc23)CC1)Nc1ccccc1 ZINC000301231760 865235951 /nfs/dbraw/zinc/23/59/51/865235951.db2.gz AZEOOLNCKPGION-UHFFFAOYSA-N 2 2 378.451 3.889 20 0 GHADLP C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171387667 865237323 /nfs/dbraw/zinc/23/73/23/865237323.db2.gz QZTQUXTWCXMVMH-AWEZNQCLSA-N 2 2 390.528 3.570 20 0 GHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000554982411 865297402 /nfs/dbraw/zinc/29/74/02/865297402.db2.gz LOOVJRAEMVRJCV-IBGZPJMESA-N 2 2 399.498 3.918 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)NC(=O)CO3)CC[N@@H+]1Cc1ccccc1 ZINC000508483506 865900172 /nfs/dbraw/zinc/90/01/72/865900172.db2.gz KRFMBKJBSDKYNR-FXAWDEMLSA-N 2 2 379.504 3.502 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)NC(=O)CO3)CC[N@H+]1Cc1ccccc1 ZINC000508483506 865900181 /nfs/dbraw/zinc/90/01/81/865900181.db2.gz KRFMBKJBSDKYNR-FXAWDEMLSA-N 2 2 379.504 3.502 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)NC(=O)CO3)CC[NH+]1Cc1ccccc1 ZINC000508483506 865900193 /nfs/dbraw/zinc/90/01/93/865900193.db2.gz KRFMBKJBSDKYNR-FXAWDEMLSA-N 2 2 379.504 3.502 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)NC(=O)CO3)CC[NH+]1Cc1ccccc1 ZINC000508483506 865900205 /nfs/dbraw/zinc/90/02/05/865900205.db2.gz KRFMBKJBSDKYNR-FXAWDEMLSA-N 2 2 379.504 3.502 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000481179518 865936527 /nfs/dbraw/zinc/93/65/27/865936527.db2.gz VNIZCKKTIAEBHM-YFXJRYMSSA-N 2 2 395.522 3.821 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000481179518 865936539 /nfs/dbraw/zinc/93/65/39/865936539.db2.gz VNIZCKKTIAEBHM-YFXJRYMSSA-N 2 2 395.522 3.821 20 0 GHADLP CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481181222 865940901 /nfs/dbraw/zinc/94/09/01/865940901.db2.gz NNASUSRKYPRPFU-MSYCTHLASA-N 2 2 395.547 3.913 20 0 GHADLP CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481181222 865940912 /nfs/dbraw/zinc/94/09/12/865940912.db2.gz NNASUSRKYPRPFU-MSYCTHLASA-N 2 2 395.547 3.913 20 0 GHADLP C[C@@H](CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000481181749 865944335 /nfs/dbraw/zinc/94/43/35/865944335.db2.gz NONGXBACRCZLQV-IBPRQYQWSA-N 2 2 393.575 3.795 20 0 GHADLP C[C@@H](CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000481181749 865944341 /nfs/dbraw/zinc/94/43/41/865944341.db2.gz NONGXBACRCZLQV-IBPRQYQWSA-N 2 2 393.575 3.795 20 0 GHADLP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)c2)C1 ZINC000857039718 881950437 /nfs/dbraw/zinc/95/04/37/881950437.db2.gz HLNUMWFMBWDBIW-HXUWFJFHSA-N 2 2 392.478 3.751 20 0 GHADLP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)c2)C1 ZINC000857039718 881950452 /nfs/dbraw/zinc/95/04/52/881950452.db2.gz HLNUMWFMBWDBIW-HXUWFJFHSA-N 2 2 392.478 3.751 20 0 GHADLP CN(C(=O)NCCCC(C)(C)C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534384510 866699105 /nfs/dbraw/zinc/69/91/05/866699105.db2.gz QCNZBKIFNOOBTO-WOJBJXKFSA-N 2 2 380.621 3.791 20 0 GHADLP CN(C(=O)NCCCC(C)(C)C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534384510 866699111 /nfs/dbraw/zinc/69/91/11/866699111.db2.gz QCNZBKIFNOOBTO-WOJBJXKFSA-N 2 2 380.621 3.791 20 0 GHADLP Cc1ccc([C@H](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+](C)C)cc1 ZINC000553060454 866721057 /nfs/dbraw/zinc/72/10/57/866721057.db2.gz CGTGPEABFFXBMF-RTWAWAEBSA-N 2 2 376.504 3.659 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153674432 867018013 /nfs/dbraw/zinc/01/80/13/867018013.db2.gz VFBRRSMVEJZXKV-QFBILLFUSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153674432 867018024 /nfs/dbraw/zinc/01/80/24/867018024.db2.gz VFBRRSMVEJZXKV-QFBILLFUSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155016308 867710812 /nfs/dbraw/zinc/71/08/12/867710812.db2.gz WRDKXTWVHUTXGX-WZONZLPQSA-N 2 2 394.494 3.736 20 0 GHADLP CN(C(=O)c1cncc2ccccc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000270088383 868191545 /nfs/dbraw/zinc/19/15/45/868191545.db2.gz ZBSHWAIVACHCKZ-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cncc2ccccc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000270088383 868191554 /nfs/dbraw/zinc/19/15/54/868191554.db2.gz ZBSHWAIVACHCKZ-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP C[C@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000535118413 868201587 /nfs/dbraw/zinc/20/15/87/868201587.db2.gz VMPZWPYPEYUOBX-JYAXBFRTSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000535118413 868201606 /nfs/dbraw/zinc/20/16/06/868201606.db2.gz VMPZWPYPEYUOBX-JYAXBFRTSA-N 2 2 378.605 3.544 20 0 GHADLP O=C(c1cc(F)ccc1F)C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667533623 868295860 /nfs/dbraw/zinc/29/58/60/868295860.db2.gz YGXJKZYKNICZAE-UHFFFAOYSA-N 2 2 382.414 3.640 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)cc1 ZINC000535186847 868303808 /nfs/dbraw/zinc/30/38/08/868303808.db2.gz RWXTVFRMMPNZNY-UHFFFAOYSA-N 2 2 390.318 3.926 20 0 GHADLP C[C@@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@@H+]1CCCC[C@H]1C ZINC000535328423 868557840 /nfs/dbraw/zinc/55/78/40/868557840.db2.gz XMXLCUVRKCIBMJ-MSOLQXFVSA-N 2 2 393.535 3.986 20 0 GHADLP C[C@@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@H+]1CCCC[C@H]1C ZINC000535328423 868557852 /nfs/dbraw/zinc/55/78/52/868557852.db2.gz XMXLCUVRKCIBMJ-MSOLQXFVSA-N 2 2 393.535 3.986 20 0 GHADLP COc1cc(OC)c(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000157125141 868565888 /nfs/dbraw/zinc/56/58/88/868565888.db2.gz REYNXIMDZNIXNY-MRXNPFEDSA-N 2 2 381.476 3.791 20 0 GHADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000479830970 868577978 /nfs/dbraw/zinc/57/79/78/868577978.db2.gz PSESJSFWUVGWFT-SJORKVTESA-N 2 2 393.601 3.761 20 0 GHADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000479830970 868577983 /nfs/dbraw/zinc/57/79/83/868577983.db2.gz PSESJSFWUVGWFT-SJORKVTESA-N 2 2 393.601 3.761 20 0 GHADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000524455627 869077783 /nfs/dbraw/zinc/07/77/83/869077783.db2.gz IYFVBNUBVDQHJW-LJQANCHMSA-N 2 2 388.581 3.647 20 0 GHADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000524455627 869077789 /nfs/dbraw/zinc/07/77/89/869077789.db2.gz IYFVBNUBVDQHJW-LJQANCHMSA-N 2 2 388.581 3.647 20 0 GHADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428424987 869201573 /nfs/dbraw/zinc/20/15/73/869201573.db2.gz VHICBIHEAMOJQI-AEFFLSMTSA-N 2 2 378.586 3.872 20 0 GHADLP COc1cccc2cc([C@H](C)[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)oc21 ZINC000539496963 869248439 /nfs/dbraw/zinc/24/84/39/869248439.db2.gz WJJLXFUIDJJUQD-WMQCIHAUSA-N 2 2 394.515 3.975 20 0 GHADLP COc1cccc2cc([C@H](C)[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)oc21 ZINC000539496963 869248446 /nfs/dbraw/zinc/24/84/46/869248446.db2.gz WJJLXFUIDJJUQD-WMQCIHAUSA-N 2 2 394.515 3.975 20 0 GHADLP O=c1[nH]c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nc2c3ccccc3oc21 ZINC000121802197 882287449 /nfs/dbraw/zinc/28/74/49/882287449.db2.gz VZLIJWYVMJAHMN-UHFFFAOYSA-N 2 2 394.519 3.757 20 0 GHADLP COc1cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1OC(C)C ZINC000428431150 869367052 /nfs/dbraw/zinc/36/70/52/869367052.db2.gz LBVIKTBFTRLSLU-DEOSSOPVSA-N 2 2 398.547 3.551 20 0 GHADLP COc1cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1OC(C)C ZINC000428431150 869367057 /nfs/dbraw/zinc/36/70/57/869367057.db2.gz LBVIKTBFTRLSLU-DEOSSOPVSA-N 2 2 398.547 3.551 20 0 GHADLP COc1cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC(C)C ZINC000428431150 869367062 /nfs/dbraw/zinc/36/70/62/869367062.db2.gz LBVIKTBFTRLSLU-DEOSSOPVSA-N 2 2 398.547 3.551 20 0 GHADLP COc1cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC(C)C ZINC000428431150 869367069 /nfs/dbraw/zinc/36/70/69/869367069.db2.gz LBVIKTBFTRLSLU-DEOSSOPVSA-N 2 2 398.547 3.551 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000462506970 869571279 /nfs/dbraw/zinc/57/12/79/869571279.db2.gz SVKAWLPBCKIDKY-RTBURBONSA-N 2 2 392.613 3.791 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000462506970 869571284 /nfs/dbraw/zinc/57/12/84/869571284.db2.gz SVKAWLPBCKIDKY-RTBURBONSA-N 2 2 392.613 3.791 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(-c3cccnc3)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000539831420 869867906 /nfs/dbraw/zinc/86/79/06/869867906.db2.gz NFAIHEZHFBWTIC-PGRDOPGGSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(-c3cccnc3)n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000539831420 869867918 /nfs/dbraw/zinc/86/79/18/869867918.db2.gz NFAIHEZHFBWTIC-PGRDOPGGSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(-c3cccnc3)n[nH]2)CC[NH+]1Cc1ccccc1 ZINC000539831420 869867932 /nfs/dbraw/zinc/86/79/32/869867932.db2.gz NFAIHEZHFBWTIC-PGRDOPGGSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(-c3cccnc3)n[nH]2)CC[NH+]1Cc1ccccc1 ZINC000539831420 869867946 /nfs/dbraw/zinc/86/79/46/869867946.db2.gz NFAIHEZHFBWTIC-PGRDOPGGSA-N 2 2 375.520 3.957 20 0 GHADLP Cc1[nH]nc2ncc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc12 ZINC000539833216 869872118 /nfs/dbraw/zinc/87/21/18/869872118.db2.gz PTJVCXADIJDJNN-HSZRJFAPSA-N 2 2 375.520 3.754 20 0 GHADLP Cc1[nH]nc2ncc(C[N@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc12 ZINC000539833216 869872132 /nfs/dbraw/zinc/87/21/32/869872132.db2.gz PTJVCXADIJDJNN-HSZRJFAPSA-N 2 2 375.520 3.754 20 0 GHADLP Cc1[nH]nc2ncc(C[NH+]3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)cc12 ZINC000539833216 869872141 /nfs/dbraw/zinc/87/21/41/869872141.db2.gz PTJVCXADIJDJNN-HSZRJFAPSA-N 2 2 375.520 3.754 20 0 GHADLP Cc1[nH]nc2ncc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)cc12 ZINC000539833216 869872154 /nfs/dbraw/zinc/87/21/54/869872154.db2.gz PTJVCXADIJDJNN-HSZRJFAPSA-N 2 2 375.520 3.754 20 0 GHADLP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cnn1C(C)(C)C ZINC000191146883 882367529 /nfs/dbraw/zinc/36/75/29/882367529.db2.gz MYEVVHMLPBBBEM-LJQANCHMSA-N 2 2 383.584 3.809 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Oc3cccnc3)cc2)CC1 ZINC000462909664 870364266 /nfs/dbraw/zinc/36/42/66/870364266.db2.gz FTFQYZSINYCKOK-GOSISDBHSA-N 2 2 397.519 3.942 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000462911089 870371443 /nfs/dbraw/zinc/37/14/43/870371443.db2.gz FEXYLWSECHKUHZ-HNNXBMFYSA-N 2 2 386.458 3.816 20 0 GHADLP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248416897 870393816 /nfs/dbraw/zinc/39/38/16/870393816.db2.gz QHXZHBINMBWXEJ-NCYKPQTJSA-N 2 2 379.552 3.737 20 0 GHADLP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248416897 870393833 /nfs/dbraw/zinc/39/38/33/870393833.db2.gz QHXZHBINMBWXEJ-NCYKPQTJSA-N 2 2 379.552 3.737 20 0 GHADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000248552239 870485306 /nfs/dbraw/zinc/48/53/06/870485306.db2.gz JAGAWQFUMKAHMJ-SVFBPWRDSA-N 2 2 392.609 3.790 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000446978556 870800639 /nfs/dbraw/zinc/80/06/39/870800639.db2.gz YCNRVBRGVMFONO-WMLDXEAASA-N 2 2 379.932 3.672 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000446978556 870800648 /nfs/dbraw/zinc/80/06/48/870800648.db2.gz YCNRVBRGVMFONO-WMLDXEAASA-N 2 2 379.932 3.672 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168849656 870928873 /nfs/dbraw/zinc/92/88/73/870928873.db2.gz KUWGECYDVGHAOM-GHTZIAJQSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168849656 870928878 /nfs/dbraw/zinc/92/88/78/870928878.db2.gz KUWGECYDVGHAOM-GHTZIAJQSA-N 2 2 387.568 3.981 20 0 GHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2ccc(Br)cc2)CC1 ZINC000463116009 870952065 /nfs/dbraw/zinc/95/20/65/870952065.db2.gz ARQYMIHPXLDEPJ-UHFFFAOYSA-N 2 2 379.264 3.998 20 0 GHADLP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001169069046 871151181 /nfs/dbraw/zinc/15/11/81/871151181.db2.gz ADJQMSVFGXBMAW-SGNDLWITSA-N 2 2 380.580 3.831 20 0 GHADLP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001169069046 871151210 /nfs/dbraw/zinc/15/12/10/871151210.db2.gz ADJQMSVFGXBMAW-SGNDLWITSA-N 2 2 380.580 3.831 20 0 GHADLP CC(C)C[C@@H](Cc1ccccc1)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001169069046 871151221 /nfs/dbraw/zinc/15/12/21/871151221.db2.gz ADJQMSVFGXBMAW-SGNDLWITSA-N 2 2 380.580 3.831 20 0 GHADLP CC(C)C[C@@H](Cc1ccccc1)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001169069046 871151234 /nfs/dbraw/zinc/15/12/34/871151234.db2.gz ADJQMSVFGXBMAW-SGNDLWITSA-N 2 2 380.580 3.831 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000463213682 871157527 /nfs/dbraw/zinc/15/75/27/871157527.db2.gz YLDCYVCPVONTDI-VZVHPENPSA-N 2 2 399.623 3.850 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000463213682 871157537 /nfs/dbraw/zinc/15/75/37/871157537.db2.gz YLDCYVCPVONTDI-VZVHPENPSA-N 2 2 399.623 3.850 20 0 GHADLP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001169077483 871181486 /nfs/dbraw/zinc/18/14/86/871181486.db2.gz IVQNONDERQCMNE-JOCHJYFZSA-N 2 2 395.595 3.780 20 0 GHADLP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001169077483 871181494 /nfs/dbraw/zinc/18/14/94/871181494.db2.gz IVQNONDERQCMNE-JOCHJYFZSA-N 2 2 395.595 3.780 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Cc1ccccc1)C2 ZINC001169144144 871254061 /nfs/dbraw/zinc/25/40/61/871254061.db2.gz JWCVZKXHMPZURX-CBPXPLCBSA-N 2 2 399.579 3.776 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Cc1ccccc1)C2 ZINC001169144144 871254204 /nfs/dbraw/zinc/25/42/04/871254204.db2.gz JWCVZKXHMPZURX-CBPXPLCBSA-N 2 2 399.579 3.776 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Cc1ccccc1)C2 ZINC001169144144 871254301 /nfs/dbraw/zinc/25/43/01/871254301.db2.gz JWCVZKXHMPZURX-CBPXPLCBSA-N 2 2 399.579 3.776 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Cc1ccccc1)C2 ZINC001169144144 871254456 /nfs/dbraw/zinc/25/44/56/871254456.db2.gz JWCVZKXHMPZURX-CBPXPLCBSA-N 2 2 399.579 3.776 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)C2 ZINC001169144145 871256481 /nfs/dbraw/zinc/25/64/81/871256481.db2.gz JWCVZKXHMPZURX-CIAFKFPVSA-N 2 2 399.579 3.776 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)C2 ZINC001169144145 871256500 /nfs/dbraw/zinc/25/65/00/871256500.db2.gz JWCVZKXHMPZURX-CIAFKFPVSA-N 2 2 399.579 3.776 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)C2 ZINC001169144145 871256517 /nfs/dbraw/zinc/25/65/17/871256517.db2.gz JWCVZKXHMPZURX-CIAFKFPVSA-N 2 2 399.579 3.776 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)C2 ZINC001169144145 871256537 /nfs/dbraw/zinc/25/65/37/871256537.db2.gz JWCVZKXHMPZURX-CIAFKFPVSA-N 2 2 399.579 3.776 20 0 GHADLP C[C@H](CN(C)Cc1ccccc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463267882 871335058 /nfs/dbraw/zinc/33/50/58/871335058.db2.gz QJEMQTOHQBUFHS-HXUWFJFHSA-N 2 2 383.555 3.943 20 0 GHADLP CC[NH+]1CCC([NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)CC1 ZINC001169249306 871347820 /nfs/dbraw/zinc/34/78/20/871347820.db2.gz GQRTZPFNJBESOS-UHFFFAOYSA-N 2 2 375.582 3.551 20 0 GHADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000461984568 871376675 /nfs/dbraw/zinc/37/66/75/871376675.db2.gz LVIAJAIBOOWBRX-JOCHJYFZSA-N 2 2 395.572 3.757 20 0 GHADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000461984568 871376692 /nfs/dbraw/zinc/37/66/92/871376692.db2.gz LVIAJAIBOOWBRX-JOCHJYFZSA-N 2 2 395.572 3.757 20 0 GHADLP CCCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000462026839 871505952 /nfs/dbraw/zinc/50/59/52/871505952.db2.gz JWZNSAQOCWJPBS-JOCHJYFZSA-N 2 2 386.584 3.858 20 0 GHADLP COC(=[NH2+])c1cccc(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1 ZINC001169516088 871586475 /nfs/dbraw/zinc/58/64/75/871586475.db2.gz BUEVHJZLUNTEMM-ICSRJNTNSA-N 2 2 381.476 3.529 20 0 GHADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-c3ccccc3OC)cc2)CC1 ZINC000539362189 871826051 /nfs/dbraw/zinc/82/60/51/871826051.db2.gz NQNWXQFBCBQNNT-OALUTQOASA-N 2 2 395.547 3.565 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000447736525 872224907 /nfs/dbraw/zinc/22/49/07/872224907.db2.gz NDUKUYQNKQOORJ-HDICACEKSA-N 2 2 381.967 3.902 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000447736525 872224927 /nfs/dbraw/zinc/22/49/27/872224927.db2.gz NDUKUYQNKQOORJ-HDICACEKSA-N 2 2 381.967 3.902 20 0 GHADLP CCOc1cc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC ZINC000133954733 882643178 /nfs/dbraw/zinc/64/31/78/882643178.db2.gz RMCBDXJETUCHCJ-SIKLNZKXSA-N 2 2 397.563 3.922 20 0 GHADLP CCOc1cc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC ZINC000133954733 882643185 /nfs/dbraw/zinc/64/31/85/882643185.db2.gz RMCBDXJETUCHCJ-SIKLNZKXSA-N 2 2 397.563 3.922 20 0 GHADLP C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000768104356 873082576 /nfs/dbraw/zinc/08/25/76/873082576.db2.gz CFWDFBQFXLRNQQ-ZQHYZAEZSA-N 2 2 396.362 3.681 20 0 GHADLP C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000768104356 873082593 /nfs/dbraw/zinc/08/25/93/873082593.db2.gz CFWDFBQFXLRNQQ-ZQHYZAEZSA-N 2 2 396.362 3.681 20 0 GHADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccsc3Br)cc2)CC1 ZINC000527640150 873390736 /nfs/dbraw/zinc/39/07/36/873390736.db2.gz CACHWDFYDHGSGN-UHFFFAOYSA-N 2 2 394.382 3.548 20 0 GHADLP CC[C@@H](NC(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)c1ccc(Cl)cc1 ZINC001197368167 873776837 /nfs/dbraw/zinc/77/68/37/873776837.db2.gz DTXNCHYKEGYILH-OXQOHEQNSA-N 2 2 386.927 3.513 20 0 GHADLP CC[C@@H](NC(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)c1ccc(Cl)cc1 ZINC001197368167 873776841 /nfs/dbraw/zinc/77/68/41/873776841.db2.gz DTXNCHYKEGYILH-OXQOHEQNSA-N 2 2 386.927 3.513 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H](c3ccccc3)c3ccc(F)cn3)[nH+]c2)C1 ZINC000541568437 873876405 /nfs/dbraw/zinc/87/64/05/873876405.db2.gz RMQMWYQWUJIFDI-NZQKXSOJSA-N 2 2 391.494 3.958 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2cc(C3CCCC3)no2)cc1 ZINC001198007602 874158885 /nfs/dbraw/zinc/15/88/85/874158885.db2.gz NEEDDIDJDGNELJ-UHFFFAOYSA-N 2 2 384.524 3.968 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2cc(C3CCCC3)no2)cc1 ZINC001198007602 874158903 /nfs/dbraw/zinc/15/89/03/874158903.db2.gz NEEDDIDJDGNELJ-UHFFFAOYSA-N 2 2 384.524 3.968 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccccc23)cc1 ZINC001198022245 874184206 /nfs/dbraw/zinc/18/42/06/874184206.db2.gz RLEDAVPTJPCOFW-SZPZYZBQSA-N 2 2 391.559 3.797 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccccc23)cc1 ZINC001198022245 874184208 /nfs/dbraw/zinc/18/42/08/874184208.db2.gz RLEDAVPTJPCOFW-SZPZYZBQSA-N 2 2 391.559 3.797 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccccc2-c2cc[nH]n2)cc1 ZINC001198030697 874188504 /nfs/dbraw/zinc/18/85/04/874188504.db2.gz NYQSDFMEMQXNFW-UHFFFAOYSA-N 2 2 391.519 3.713 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccccc2-c2cc[nH]n2)cc1 ZINC001198030697 874188510 /nfs/dbraw/zinc/18/85/10/874188510.db2.gz NYQSDFMEMQXNFW-UHFFFAOYSA-N 2 2 391.519 3.713 20 0 GHADLP C[C@H](C[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)NC(=O)OC(C)(C)C ZINC000769683757 874206930 /nfs/dbraw/zinc/20/69/30/874206930.db2.gz AGHKKEJGTZNIQB-ZHALLVOQSA-N 2 2 386.540 3.985 20 0 GHADLP CNC(=O)c1ccc(C[NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)cc1 ZINC001198201665 874270808 /nfs/dbraw/zinc/27/08/08/874270808.db2.gz BWGPIAIJIVUHBP-UHFFFAOYSA-N 2 2 377.532 3.633 20 0 GHADLP COc1cccc([C@H](C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)N(C)C)c1 ZINC000449066195 874404333 /nfs/dbraw/zinc/40/43/33/874404333.db2.gz YYQNAVYZWHKLJS-NLFFAJNJSA-N 2 2 395.591 3.983 20 0 GHADLP COCCOc1ncccc1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449084609 874437616 /nfs/dbraw/zinc/43/76/16/874437616.db2.gz YIROXOIVEARHJJ-UHFFFAOYSA-N 2 2 377.573 3.876 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2Br)[C@H](C)C1 ZINC000449138423 874525958 /nfs/dbraw/zinc/52/59/58/874525958.db2.gz HXVHQLFETQEYGA-RHSMWYFYSA-N 2 2 387.337 3.815 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2Br)[C@H](C)C1 ZINC000449138423 874525970 /nfs/dbraw/zinc/52/59/70/874525970.db2.gz HXVHQLFETQEYGA-RHSMWYFYSA-N 2 2 387.337 3.815 20 0 GHADLP CC[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808660 874530808 /nfs/dbraw/zinc/53/08/08/874530808.db2.gz LWTQWYIAGBEFKU-CTNGQTDRSA-N 2 2 386.584 3.657 20 0 GHADLP CC[N@H+](CC(=O)N(C)[C@H]1CCCC[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808660 874530816 /nfs/dbraw/zinc/53/08/16/874530816.db2.gz LWTQWYIAGBEFKU-CTNGQTDRSA-N 2 2 386.584 3.657 20 0 GHADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000449143169 874531794 /nfs/dbraw/zinc/53/17/94/874531794.db2.gz HOFIWLOBOKVHHC-XMSQKQJNSA-N 2 2 395.522 3.616 20 0 GHADLP CC[N@@H+](CC(=O)Nc1ccc(C)cc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808194 874562426 /nfs/dbraw/zinc/56/24/26/874562426.db2.gz JSOWOGAUVWPPON-UHFFFAOYSA-N 2 2 384.499 3.706 20 0 GHADLP CC[N@H+](CC(=O)Nc1ccc(C)cc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808194 874562435 /nfs/dbraw/zinc/56/24/35/874562435.db2.gz JSOWOGAUVWPPON-UHFFFAOYSA-N 2 2 384.499 3.706 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCc4cc(F)c(F)c(F)c43)[nH+]c2)C1 ZINC000449207111 874587053 /nfs/dbraw/zinc/58/70/53/874587053.db2.gz MUDFHJJVWLATHM-GDBMZVCRSA-N 2 2 376.426 3.739 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464827772 874589793 /nfs/dbraw/zinc/58/97/93/874589793.db2.gz CZRJFBLUHMLDKK-QKNQBKEWSA-N 2 2 397.538 3.845 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464827772 874589802 /nfs/dbraw/zinc/58/98/02/874589802.db2.gz CZRJFBLUHMLDKK-QKNQBKEWSA-N 2 2 397.538 3.845 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464827772 874589811 /nfs/dbraw/zinc/58/98/11/874589811.db2.gz CZRJFBLUHMLDKK-QKNQBKEWSA-N 2 2 397.538 3.845 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464827772 874589822 /nfs/dbraw/zinc/58/98/22/874589822.db2.gz CZRJFBLUHMLDKK-QKNQBKEWSA-N 2 2 397.538 3.845 20 0 GHADLP Ic1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000770376071 874616304 /nfs/dbraw/zinc/61/63/04/874616304.db2.gz UMZLCTWSUWARHJ-QAPCUYQASA-N 2 2 396.316 3.740 20 0 GHADLP Ic1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000770376071 874616305 /nfs/dbraw/zinc/61/63/05/874616305.db2.gz UMZLCTWSUWARHJ-QAPCUYQASA-N 2 2 396.316 3.740 20 0 GHADLP Ic1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000770376071 874616309 /nfs/dbraw/zinc/61/63/09/874616309.db2.gz UMZLCTWSUWARHJ-QAPCUYQASA-N 2 2 396.316 3.740 20 0 GHADLP Ic1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000770376071 874616311 /nfs/dbraw/zinc/61/63/11/874616311.db2.gz UMZLCTWSUWARHJ-QAPCUYQASA-N 2 2 396.316 3.740 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(O)c3)o2)C1 ZINC001198791253 874619895 /nfs/dbraw/zinc/61/98/95/874619895.db2.gz UKAXVHGRPHERGJ-INIZCTEOSA-N 2 2 381.480 3.773 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(O)c3)o2)C1 ZINC001198791253 874619898 /nfs/dbraw/zinc/61/98/98/874619898.db2.gz UKAXVHGRPHERGJ-INIZCTEOSA-N 2 2 381.480 3.773 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3c(Cl)nc(Cl)n3C)cc2)C[C@H](C)O1 ZINC001199239137 874867470 /nfs/dbraw/zinc/86/74/70/874867470.db2.gz ZMGPOQVKHJDYHM-OKILXGFUSA-N 2 2 397.350 3.626 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3c(Cl)nc(Cl)n3C)cc2)C[C@H](C)O1 ZINC001199239137 874867478 /nfs/dbraw/zinc/86/74/78/874867478.db2.gz ZMGPOQVKHJDYHM-OKILXGFUSA-N 2 2 397.350 3.626 20 0 GHADLP COc1cc(OC)c(C[C@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c(OC)c1 ZINC000449469635 874899277 /nfs/dbraw/zinc/89/92/77/874899277.db2.gz USOPZNQJKRNNOK-AWEZNQCLSA-N 2 2 387.505 3.680 20 0 GHADLP COc1ccccc1N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000178232226 882878137 /nfs/dbraw/zinc/87/81/37/882878137.db2.gz HSKWDIQMUUETMD-UGKGYDQZSA-N 2 2 394.563 3.559 20 0 GHADLP COc1ccccc1N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000178232226 882878155 /nfs/dbraw/zinc/87/81/55/882878155.db2.gz HSKWDIQMUUETMD-UGKGYDQZSA-N 2 2 394.563 3.559 20 0 GHADLP COc1ccc([C@H]2[C@@H](COC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[N@@H+]2C)cc1 ZINC000776091936 875329211 /nfs/dbraw/zinc/32/92/11/875329211.db2.gz ZJJXJZUAVALOIQ-KNQAVFIVSA-N 2 2 391.471 3.731 20 0 GHADLP COc1ccc([C@H]2[C@@H](COC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[N@H+]2C)cc1 ZINC000776091936 875329230 /nfs/dbraw/zinc/32/92/30/875329230.db2.gz ZJJXJZUAVALOIQ-KNQAVFIVSA-N 2 2 391.471 3.731 20 0 GHADLP COc1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC001200970936 875419231 /nfs/dbraw/zinc/41/92/31/875419231.db2.gz FSVAOLRGYKDJDY-UHFFFAOYSA-N 2 2 375.340 3.981 20 0 GHADLP CCCC[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CCC1 ZINC000465280676 875419898 /nfs/dbraw/zinc/41/98/98/875419898.db2.gz AWKIYNYMKIXXBU-HXUWFJFHSA-N 2 2 378.605 3.595 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)c1C ZINC000776128092 875438306 /nfs/dbraw/zinc/43/83/06/875438306.db2.gz XZQBOWVVLLLKHN-UHFFFAOYSA-N 2 2 376.545 3.551 20 0 GHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529527614 876264365 /nfs/dbraw/zinc/26/43/65/876264365.db2.gz ADNOZKDFJYBWMU-LBPRGKRZSA-N 2 2 383.359 3.674 20 0 GHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529527614 876264379 /nfs/dbraw/zinc/26/43/79/876264379.db2.gz ADNOZKDFJYBWMU-LBPRGKRZSA-N 2 2 383.359 3.674 20 0 GHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529527614 876264392 /nfs/dbraw/zinc/26/43/92/876264392.db2.gz ADNOZKDFJYBWMU-LBPRGKRZSA-N 2 2 383.359 3.674 20 0 GHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529527614 876264401 /nfs/dbraw/zinc/26/44/01/876264401.db2.gz ADNOZKDFJYBWMU-LBPRGKRZSA-N 2 2 383.359 3.674 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H](C)[C@H]3OCCc4sccc43)sc2C1 ZINC000492228216 876456516 /nfs/dbraw/zinc/45/65/16/876456516.db2.gz UKTOXYYBIGQNGJ-ORAYPTAESA-N 2 2 377.579 3.763 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H](C)[C@H]3OCCc4sccc43)sc2C1 ZINC000492228216 876456523 /nfs/dbraw/zinc/45/65/23/876456523.db2.gz UKTOXYYBIGQNGJ-ORAYPTAESA-N 2 2 377.579 3.763 20 0 GHADLP C[C@@H](C[NH2+]Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)Cn1cc[nH+]c1 ZINC000850092833 876658305 /nfs/dbraw/zinc/65/83/05/876658305.db2.gz VGJCBEKTFFZPPR-KRWDZBQOSA-N 2 2 384.524 3.602 20 0 GHADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000858367003 883051964 /nfs/dbraw/zinc/05/19/64/883051964.db2.gz HJUOCUICPNFSGO-ZWKOTPCHSA-N 2 2 387.549 3.622 20 0 GHADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000858367003 883051981 /nfs/dbraw/zinc/05/19/81/883051981.db2.gz HJUOCUICPNFSGO-ZWKOTPCHSA-N 2 2 387.549 3.622 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1Cl ZINC000850512324 876983097 /nfs/dbraw/zinc/98/30/97/876983097.db2.gz ALFBDFHPLXLTBE-WBVHZDCISA-N 2 2 387.911 3.664 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1Cl ZINC000850512324 876983107 /nfs/dbraw/zinc/98/31/07/876983107.db2.gz ALFBDFHPLXLTBE-WBVHZDCISA-N 2 2 387.911 3.664 20 0 GHADLP CC[N@H+](CCC(=O)Nc1cccc(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174389910 877000994 /nfs/dbraw/zinc/00/09/94/877000994.db2.gz LFGGOZGLSLVVON-UHFFFAOYSA-N 2 2 384.499 3.788 20 0 GHADLP CC[N@@H+](CCC(=O)Nc1cccc(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174389910 877001011 /nfs/dbraw/zinc/00/10/11/877001011.db2.gz LFGGOZGLSLVVON-UHFFFAOYSA-N 2 2 384.499 3.788 20 0 GHADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(F)c(Br)c1 ZINC000530237202 877342350 /nfs/dbraw/zinc/34/23/50/877342350.db2.gz VEGKKYIUZZAVKM-YJBOKZPZSA-N 2 2 385.321 3.618 20 0 GHADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(F)c(Br)c1 ZINC000530237202 877342362 /nfs/dbraw/zinc/34/23/62/877342362.db2.gz VEGKKYIUZZAVKM-YJBOKZPZSA-N 2 2 385.321 3.618 20 0 GHADLP COc1ccc([C@@H]2CC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699847 877667669 /nfs/dbraw/zinc/66/76/69/877667669.db2.gz MSVYRZACCYRPAP-VWNXMTODSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccc([C@@H]2CC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699847 877667678 /nfs/dbraw/zinc/66/76/78/877667678.db2.gz MSVYRZACCYRPAP-VWNXMTODSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccc([C@@H]2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699847 877667686 /nfs/dbraw/zinc/66/76/86/877667686.db2.gz MSVYRZACCYRPAP-VWNXMTODSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccc([C@@H]2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699847 877667693 /nfs/dbraw/zinc/66/76/93/877667693.db2.gz MSVYRZACCYRPAP-VWNXMTODSA-N 2 2 380.532 3.776 20 0 GHADLP COc1cccc(C[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C2CC2)c1 ZINC000551703873 877673618 /nfs/dbraw/zinc/67/36/18/877673618.db2.gz LRRZJQFMTANVDH-JWQCQUIFSA-N 2 2 394.559 3.897 20 0 GHADLP COc1cccc(C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CC2)c1 ZINC000551703873 877673630 /nfs/dbraw/zinc/67/36/30/877673630.db2.gz LRRZJQFMTANVDH-JWQCQUIFSA-N 2 2 394.559 3.897 20 0 GHADLP CC[N@H+](CCCC(=O)Nc1cc[nH+]c2c1CCC2)[C@@H](C)Cc1ccc(OC)cc1 ZINC001183148215 912305091 /nfs/dbraw/zinc/30/50/91/912305091.db2.gz HMFRPIBFIVSKJO-SFHVURJKSA-N 2 2 395.547 3.673 20 0 GHADLP CC[N@@H+](CCCC(=O)Nc1cc[nH+]c2c1CCC2)[C@@H](C)Cc1ccc(OC)cc1 ZINC001183148215 912305112 /nfs/dbraw/zinc/30/51/12/912305112.db2.gz HMFRPIBFIVSKJO-SFHVURJKSA-N 2 2 395.547 3.673 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000245592825 878164890 /nfs/dbraw/zinc/16/48/90/878164890.db2.gz KZTDSSNNVQATAN-RDTXWAMCSA-N 2 2 395.334 3.731 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000245592825 878164897 /nfs/dbraw/zinc/16/48/97/878164897.db2.gz KZTDSSNNVQATAN-RDTXWAMCSA-N 2 2 395.334 3.731 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245597686 878170877 /nfs/dbraw/zinc/17/08/77/878170877.db2.gz LVLMCEKSBIBHBM-WMZHIEFXSA-N 2 2 388.515 3.996 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245597686 878170886 /nfs/dbraw/zinc/17/08/86/878170886.db2.gz LVLMCEKSBIBHBM-WMZHIEFXSA-N 2 2 388.515 3.996 20 0 GHADLP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000788586950 878186997 /nfs/dbraw/zinc/18/69/97/878186997.db2.gz GTPOCRNCHZTGKA-ZWKOTPCHSA-N 2 2 376.545 3.899 20 0 GHADLP COc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1SC(F)(F)F ZINC000852760893 878584507 /nfs/dbraw/zinc/58/45/07/878584507.db2.gz NZFKMMLNCMYBDH-HNNXBMFYSA-N 2 2 392.487 3.850 20 0 GHADLP COc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1SC(F)(F)F ZINC000852760893 878584517 /nfs/dbraw/zinc/58/45/17/878584517.db2.gz NZFKMMLNCMYBDH-HNNXBMFYSA-N 2 2 392.487 3.850 20 0 GHADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000670173381 878628822 /nfs/dbraw/zinc/62/88/22/878628822.db2.gz SXCWWKJPEQJVNO-FFZOFVMBSA-N 2 2 392.613 3.788 20 0 GHADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000670173381 878628832 /nfs/dbraw/zinc/62/88/32/878628832.db2.gz SXCWWKJPEQJVNO-FFZOFVMBSA-N 2 2 392.613 3.788 20 0 GHADLP Cc1nn(Cc2cccc(C[NH+]3CCCCC3)c2)c(C)c1[C@@H]1COCC[N@H+]1C ZINC000852963552 878673653 /nfs/dbraw/zinc/67/36/53/878673653.db2.gz BRJGXUHULNKJEP-QFIPXVFZSA-N 2 2 382.552 3.537 20 0 GHADLP Cc1nn(Cc2cccc(C[NH+]3CCCCC3)c2)c(C)c1[C@@H]1COCC[N@@H+]1C ZINC000852963552 878673663 /nfs/dbraw/zinc/67/36/63/878673663.db2.gz BRJGXUHULNKJEP-QFIPXVFZSA-N 2 2 382.552 3.537 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)ccc2[nH+]1 ZINC000530949370 878823327 /nfs/dbraw/zinc/82/33/27/878823327.db2.gz GTAVHILISVNJLP-IEBWSBKVSA-N 2 2 377.492 3.817 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)ccc2[nH+]1 ZINC000530949370 878823338 /nfs/dbraw/zinc/82/33/38/878823338.db2.gz GTAVHILISVNJLP-IEBWSBKVSA-N 2 2 377.492 3.817 20 0 GHADLP CCC(CC)(C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)[NH2+][C@H](C)c1ccccc1 ZINC000246046047 878891286 /nfs/dbraw/zinc/89/12/86/878891286.db2.gz OSJYYHGYOQEDOJ-MISYRCLQSA-N 2 2 380.598 3.841 20 0 GHADLP C[NH+]1CCC(O)(C[NH2+][C@@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1 ZINC000493234640 878899615 /nfs/dbraw/zinc/89/96/15/878899615.db2.gz WDBYHYOWGNQEQG-IBGZPJMESA-N 2 2 380.866 3.754 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccnn1-c1ccccc1 ZINC000467306791 879054315 /nfs/dbraw/zinc/05/43/15/879054315.db2.gz QVNYYUOJJZMEAF-IBGZPJMESA-N 2 2 376.504 3.555 20 0 GHADLP CC1(C)CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000538347183 879326550 /nfs/dbraw/zinc/32/65/50/879326550.db2.gz IGIBUVNYVWAOHI-UHFFFAOYSA-N 2 2 388.515 3.668 20 0 GHADLP CC1(C)CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000538347183 879326569 /nfs/dbraw/zinc/32/65/69/879326569.db2.gz IGIBUVNYVWAOHI-UHFFFAOYSA-N 2 2 388.515 3.668 20 0 GHADLP Cc1cc(Br)cn2c(CN3CC[C@H](C[NH+]4CCCCC4)C3)c[nH+]c12 ZINC000542467264 879398013 /nfs/dbraw/zinc/39/80/13/879398013.db2.gz YJEVGYHOZQJQPD-MRXNPFEDSA-N 2 2 391.357 3.713 20 0 GHADLP CCC[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CCCCC1 ZINC000538393341 879408562 /nfs/dbraw/zinc/40/85/62/879408562.db2.gz VSWSJQYEUIHNRJ-JOCHJYFZSA-N 2 2 387.568 3.796 20 0 GHADLP COC(=O)c1ccc(Cl)c(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC001170127933 879447653 /nfs/dbraw/zinc/44/76/53/879447653.db2.gz MOFSIJKRCHILQB-UHFFFAOYSA-N 2 2 395.890 3.997 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000854222756 879640797 /nfs/dbraw/zinc/64/07/97/879640797.db2.gz LPBZPRVUBOTJOY-LJDSDSDDSA-N 2 2 378.607 3.500 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000538556497 879707837 /nfs/dbraw/zinc/70/78/37/879707837.db2.gz CPFPOBBXTHSWRJ-MAUKXSAKSA-N 2 2 393.535 3.625 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)ccc2[nH+]1 ZINC000531422768 879802839 /nfs/dbraw/zinc/80/28/39/879802839.db2.gz BLEDEXNDFQMZGV-UZLBHIALSA-N 2 2 377.492 3.675 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)ccc2[nH+]1 ZINC000531422768 879802854 /nfs/dbraw/zinc/80/28/54/879802854.db2.gz BLEDEXNDFQMZGV-UZLBHIALSA-N 2 2 377.492 3.675 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1Cl ZINC000246873900 879836089 /nfs/dbraw/zinc/83/60/89/879836089.db2.gz LOVYLIUOFWCJSE-IYOUNJFTSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1Cl ZINC000246873900 879836106 /nfs/dbraw/zinc/83/61/06/879836106.db2.gz LOVYLIUOFWCJSE-IYOUNJFTSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000246873900 879836129 /nfs/dbraw/zinc/83/61/29/879836129.db2.gz LOVYLIUOFWCJSE-IYOUNJFTSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000246873900 879836146 /nfs/dbraw/zinc/83/61/46/879836146.db2.gz LOVYLIUOFWCJSE-IYOUNJFTSA-N 2 2 384.351 3.587 20 0 GHADLP COCCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246923823 879851247 /nfs/dbraw/zinc/85/12/47/879851247.db2.gz GECDNFDOQCZEQL-OFNKIYASSA-N 2 2 397.563 3.806 20 0 GHADLP COCCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246923823 879851266 /nfs/dbraw/zinc/85/12/66/879851266.db2.gz GECDNFDOQCZEQL-OFNKIYASSA-N 2 2 397.563 3.806 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cs2)cc1OC ZINC000247005842 879881470 /nfs/dbraw/zinc/88/14/70/879881470.db2.gz PVMCOHWSKCOANP-SJLPKXTDSA-N 2 2 387.549 3.743 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cs2)cc1OC ZINC000247005842 879881487 /nfs/dbraw/zinc/88/14/87/879881487.db2.gz PVMCOHWSKCOANP-SJLPKXTDSA-N 2 2 387.549 3.743 20 0 GHADLP COc1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cs2)cc1OC ZINC000247005842 879881504 /nfs/dbraw/zinc/88/15/04/879881504.db2.gz PVMCOHWSKCOANP-SJLPKXTDSA-N 2 2 387.549 3.743 20 0 GHADLP COc1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cs2)cc1OC ZINC000247005842 879881514 /nfs/dbraw/zinc/88/15/14/879881514.db2.gz PVMCOHWSKCOANP-SJLPKXTDSA-N 2 2 387.549 3.743 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000477777148 879909162 /nfs/dbraw/zinc/90/91/62/879909162.db2.gz XYMPHNOBSZLQLN-PUECVXPYSA-N 2 2 385.474 3.522 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000477777148 879909168 /nfs/dbraw/zinc/90/91/68/879909168.db2.gz XYMPHNOBSZLQLN-PUECVXPYSA-N 2 2 385.474 3.522 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000183629077 880129964 /nfs/dbraw/zinc/12/99/64/880129964.db2.gz OLMQZNHUHITRPY-JOCHJYFZSA-N 2 2 386.584 3.585 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000183629077 880129975 /nfs/dbraw/zinc/12/99/75/880129975.db2.gz OLMQZNHUHITRPY-JOCHJYFZSA-N 2 2 386.584 3.585 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000531733078 880361172 /nfs/dbraw/zinc/36/11/72/880361172.db2.gz DFSHRJIWJRCCHM-DZGCQCFKSA-N 2 2 390.915 3.738 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453104745 880471449 /nfs/dbraw/zinc/47/14/49/880471449.db2.gz DESPOHCWZHKTPP-NHCUHLMSSA-N 2 2 394.987 3.909 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cc(Br)ccc1Br ZINC000185157589 880492465 /nfs/dbraw/zinc/49/24/65/880492465.db2.gz IQTRJBZPNQCCQL-UHFFFAOYSA-N 2 2 399.130 3.962 20 0 GHADLP Cc1ccc2c(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc(=O)oc2c1C ZINC000791619462 880546036 /nfs/dbraw/zinc/54/60/36/880546036.db2.gz CRYYNUMLIWKTPT-SZPZYZBQSA-N 2 2 388.511 3.974 20 0 GHADLP Cc1ccc2c(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc(=O)oc2c1C ZINC000791619462 880546043 /nfs/dbraw/zinc/54/60/43/880546043.db2.gz CRYYNUMLIWKTPT-SZPZYZBQSA-N 2 2 388.511 3.974 20 0 GHADLP Cc1ccc2c(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cc(=O)oc2c1C ZINC000791619462 880546050 /nfs/dbraw/zinc/54/60/50/880546050.db2.gz CRYYNUMLIWKTPT-SZPZYZBQSA-N 2 2 388.511 3.974 20 0 GHADLP Cc1ccc2c(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cc(=O)oc2c1C ZINC000791619462 880546055 /nfs/dbraw/zinc/54/60/55/880546055.db2.gz CRYYNUMLIWKTPT-SZPZYZBQSA-N 2 2 388.511 3.974 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cc(Cl)cc3cccnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000531910639 880726101 /nfs/dbraw/zinc/72/61/01/880726101.db2.gz JMCKJHQHYFGWPE-JOCHJYFZSA-N 2 2 381.907 3.615 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cc(Cl)cc3cccnc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000531910639 880726109 /nfs/dbraw/zinc/72/61/09/880726109.db2.gz JMCKJHQHYFGWPE-JOCHJYFZSA-N 2 2 381.907 3.615 20 0 GHADLP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)cc1Cl ZINC001275201725 912602015 /nfs/dbraw/zinc/60/20/15/912602015.db2.gz IBLXYXCFIRFBCA-LJQANCHMSA-N 2 2 384.351 3.512 20 0 GHADLP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)cc1Cl ZINC001275201725 912602023 /nfs/dbraw/zinc/60/20/23/912602023.db2.gz IBLXYXCFIRFBCA-LJQANCHMSA-N 2 2 384.351 3.512 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1Cl ZINC000531976738 880855735 /nfs/dbraw/zinc/85/57/35/880855735.db2.gz CLQOBHGVEMCDGH-SCWSEQNSSA-N 2 2 388.939 3.882 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1Cl ZINC000531976738 880855756 /nfs/dbraw/zinc/85/57/56/880855756.db2.gz CLQOBHGVEMCDGH-SCWSEQNSSA-N 2 2 388.939 3.882 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000187010360 881048710 /nfs/dbraw/zinc/04/87/10/881048710.db2.gz UHTDVSGSWJCWKL-DXIQSLLYSA-N 2 2 397.563 3.893 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000187010360 881048726 /nfs/dbraw/zinc/04/87/26/881048726.db2.gz UHTDVSGSWJCWKL-DXIQSLLYSA-N 2 2 397.563 3.893 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000494241798 881276527 /nfs/dbraw/zinc/27/65/27/881276527.db2.gz OHFILHBHCAYTPI-UNMCSNQZSA-N 2 2 396.441 3.521 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000182091448 883181880 /nfs/dbraw/zinc/18/18/80/883181880.db2.gz SZFPBFKIQUDLGI-IBGZPJMESA-N 2 2 376.504 3.849 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000182091448 883181891 /nfs/dbraw/zinc/18/18/91/883181891.db2.gz SZFPBFKIQUDLGI-IBGZPJMESA-N 2 2 376.504 3.849 20 0 GHADLP Cn1cc([C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c2cccc(F)c2)cn1 ZINC000195132301 883189352 /nfs/dbraw/zinc/18/93/52/883189352.db2.gz XKVRIZISMMRUJA-AUSIDOKSSA-N 2 2 378.495 3.760 20 0 GHADLP Cn1cc([C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2cccc(F)c2)cn1 ZINC000195132301 883189355 /nfs/dbraw/zinc/18/93/55/883189355.db2.gz XKVRIZISMMRUJA-AUSIDOKSSA-N 2 2 378.495 3.760 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)c2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000551085773 883259938 /nfs/dbraw/zinc/25/99/38/883259938.db2.gz HNPQVXAYHKPSCP-UFYCRDLUSA-N 2 2 389.337 3.908 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)c2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000551085773 883259951 /nfs/dbraw/zinc/25/99/51/883259951.db2.gz HNPQVXAYHKPSCP-UFYCRDLUSA-N 2 2 389.337 3.908 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nc(=O)c3c(C)c(C)sc3[nH]2)cc1 ZINC000183690051 883281185 /nfs/dbraw/zinc/28/11/85/883281185.db2.gz BFGIPQQWUGNUDS-CYBMUJFWSA-N 2 2 393.516 3.946 20 0 GHADLP Cc1cc(C)cc(OCc2noc(C[NH+]3CCC(CCC[NH+](C)C)CC3)n2)c1 ZINC000123252852 883287284 /nfs/dbraw/zinc/28/72/84/883287284.db2.gz YRZXLYRBNHBXRA-UHFFFAOYSA-N 2 2 386.540 3.819 20 0 GHADLP COc1ccc(-c2noc([C@@H](C)[N@H+](C)Cc3ccc(C[NH+](C)C)cc3)n2)cc1 ZINC000859213807 883666811 /nfs/dbraw/zinc/66/68/11/883666811.db2.gz BDIRYAFZYQPNEH-MRXNPFEDSA-N 2 2 380.492 4.000 20 0 GHADLP COc1ccc(-c2noc([C@@H](C)[N@@H+](C)Cc3ccc(C[NH+](C)C)cc3)n2)cc1 ZINC000859213807 883666825 /nfs/dbraw/zinc/66/68/25/883666825.db2.gz BDIRYAFZYQPNEH-MRXNPFEDSA-N 2 2 380.492 4.000 20 0 GHADLP O=S(=O)(CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000556262531 884277198 /nfs/dbraw/zinc/27/71/98/884277198.db2.gz ZLTLSWFNJSQNTL-UHFFFAOYSA-N 2 2 399.000 3.891 20 0 GHADLP Ic1ccccc1[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000556366700 884610951 /nfs/dbraw/zinc/61/09/51/884610951.db2.gz NVTPXWPWEODROH-KRWDZBQOSA-N 2 2 384.305 3.914 20 0 GHADLP Ic1ccccc1[C@@H]1CCC[N@H+]1CCC[NH+]1CCCC1 ZINC000556366700 884610960 /nfs/dbraw/zinc/61/09/60/884610960.db2.gz NVTPXWPWEODROH-KRWDZBQOSA-N 2 2 384.305 3.914 20 0 GHADLP O=C(NCCCCn1cc[nH+]c1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000064237767 884838503 /nfs/dbraw/zinc/83/85/03/884838503.db2.gz ULUFEHNWFNWYGO-UHFFFAOYSA-N 2 2 383.540 3.539 20 0 GHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c2ccccc21 ZINC000643470427 885057202 /nfs/dbraw/zinc/05/72/02/885057202.db2.gz SOIBHMXZIGLWEO-SQNIBIBYSA-N 2 2 375.394 3.545 20 0 GHADLP Nc1ccc(CCC(=O)N2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)c[nH+]1 ZINC001183937434 912893773 /nfs/dbraw/zinc/89/37/73/912893773.db2.gz WPGVOJAMJANYSI-UHFFFAOYSA-N 2 2 392.547 3.501 20 0 GHADLP CC(C)[C@@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[NH+](C)C ZINC000106917577 885205887 /nfs/dbraw/zinc/20/58/87/885205887.db2.gz YBQLUMJYSOXKTK-QHCPKHFHSA-N 2 2 390.531 3.801 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(N2CCOCC2)c1 ZINC000532451017 885501300 /nfs/dbraw/zinc/50/13/00/885501300.db2.gz QXELVLPJJDUXKF-IBGZPJMESA-N 2 2 376.504 3.619 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)C[C@H]1c1ccccc1 ZINC000550643672 885692223 /nfs/dbraw/zinc/69/22/23/885692223.db2.gz CJUPFILELGWRBT-HJOGWXRNSA-N 2 2 391.559 3.645 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)C[C@H]1c1ccccc1 ZINC000550643672 885692227 /nfs/dbraw/zinc/69/22/27/885692227.db2.gz CJUPFILELGWRBT-HJOGWXRNSA-N 2 2 391.559 3.645 20 0 GHADLP COc1ccc([C@H](CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)[NH+](C)C)cc1OC ZINC000550678816 885850276 /nfs/dbraw/zinc/85/02/76/885850276.db2.gz UYOGEDXTXKWISV-BDTNDASRSA-N 2 2 397.563 3.732 20 0 GHADLP COc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)[NH+](C)C)cc1OC ZINC000550678816 885850293 /nfs/dbraw/zinc/85/02/93/885850293.db2.gz UYOGEDXTXKWISV-BDTNDASRSA-N 2 2 397.563 3.732 20 0 GHADLP COc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)N(C)C)cc1OC ZINC000550678816 885850308 /nfs/dbraw/zinc/85/03/08/885850308.db2.gz UYOGEDXTXKWISV-BDTNDASRSA-N 2 2 397.563 3.732 20 0 GHADLP COc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)N(C)C)cc1OC ZINC000550678816 885850315 /nfs/dbraw/zinc/85/03/15/885850315.db2.gz UYOGEDXTXKWISV-BDTNDASRSA-N 2 2 397.563 3.732 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498838355 885901160 /nfs/dbraw/zinc/90/11/60/885901160.db2.gz OTVRHGZAHKXMHB-JTHBVZDNSA-N 2 2 385.596 3.868 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498838355 885901173 /nfs/dbraw/zinc/90/11/73/885901173.db2.gz OTVRHGZAHKXMHB-JTHBVZDNSA-N 2 2 385.596 3.868 20 0 GHADLP COCC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2OC(F)F)CC1 ZINC000532543546 885953744 /nfs/dbraw/zinc/95/37/44/885953744.db2.gz UUCGNQZXCZPVLY-UHFFFAOYSA-N 2 2 383.266 3.795 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@@H]1c1ccccc1 ZINC000550703853 885955995 /nfs/dbraw/zinc/95/59/95/885955995.db2.gz PLELTHCSKYSQML-SESVDKBCSA-N 2 2 383.923 3.870 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@@H]1c1ccccc1 ZINC000550703853 885956003 /nfs/dbraw/zinc/95/60/03/885956003.db2.gz PLELTHCSKYSQML-SESVDKBCSA-N 2 2 383.923 3.870 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(SC(F)(F)F)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000915228118 886070553 /nfs/dbraw/zinc/07/05/53/886070553.db2.gz CERHKPDJFFQHAF-GOSISDBHSA-N 2 2 396.478 3.807 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(SC(F)(F)F)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000915228118 886070565 /nfs/dbraw/zinc/07/05/65/886070565.db2.gz CERHKPDJFFQHAF-GOSISDBHSA-N 2 2 396.478 3.807 20 0 GHADLP Cc1ccccc1Nc1nc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cs1 ZINC000532564718 886096376 /nfs/dbraw/zinc/09/63/76/886096376.db2.gz BJLIJAHMKSCIBT-FQEVSTJZSA-N 2 2 399.608 3.795 20 0 GHADLP Cc1ccccc1Nc1nc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cs1 ZINC000532564718 886096385 /nfs/dbraw/zinc/09/63/85/886096385.db2.gz BJLIJAHMKSCIBT-FQEVSTJZSA-N 2 2 399.608 3.795 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117783783 886111721 /nfs/dbraw/zinc/11/17/21/886111721.db2.gz SAOGCVBHRFDNMC-UHFFFAOYSA-N 2 2 388.515 3.857 20 0 GHADLP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117783783 886111728 /nfs/dbraw/zinc/11/17/28/886111728.db2.gz SAOGCVBHRFDNMC-UHFFFAOYSA-N 2 2 388.515 3.857 20 0 GHADLP CC(C)n1c(=S)n(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nc1N(C)C ZINC000155071227 886260121 /nfs/dbraw/zinc/26/01/21/886260121.db2.gz MXHDDRAPTWFICT-UHFFFAOYSA-N 2 2 394.633 3.606 20 0 GHADLP O=c1sc2c(n1C[NH+]1CCC3(CC[N@H+](Cc4ccccc4)C3)CC1)CCCC2 ZINC000762500399 886295088 /nfs/dbraw/zinc/29/50/88/886295088.db2.gz BFTARKHGFZMUEM-UHFFFAOYSA-N 2 2 397.588 3.734 20 0 GHADLP O=c1sc2c(n1C[NH+]1CCC3(CC[N@@H+](Cc4ccccc4)C3)CC1)CCCC2 ZINC000762500399 886295105 /nfs/dbraw/zinc/29/51/05/886295105.db2.gz BFTARKHGFZMUEM-UHFFFAOYSA-N 2 2 397.588 3.734 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719871 886345117 /nfs/dbraw/zinc/34/51/17/886345117.db2.gz HVUPTYQZCUTGGB-QZTJIDSGSA-N 2 2 377.960 3.667 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719871 886345135 /nfs/dbraw/zinc/34/51/35/886345135.db2.gz HVUPTYQZCUTGGB-QZTJIDSGSA-N 2 2 377.960 3.667 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c4c3cccc4F)CC2)C1 ZINC001137052878 886435640 /nfs/dbraw/zinc/43/56/40/886435640.db2.gz PXCZLQPMSNXUPA-MRXNPFEDSA-N 2 2 387.499 3.547 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c4c3cccc4F)CC2)C1 ZINC001137052878 886435650 /nfs/dbraw/zinc/43/56/50/886435650.db2.gz PXCZLQPMSNXUPA-MRXNPFEDSA-N 2 2 387.499 3.547 20 0 GHADLP Cc1ccc([C@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)N(C)C)cc1 ZINC000118975004 886470507 /nfs/dbraw/zinc/47/05/07/886470507.db2.gz FCEXXLHJTLSZLN-DEOSSOPVSA-N 2 2 380.580 3.922 20 0 GHADLP COc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(OC)c1OC ZINC000119313452 886582637 /nfs/dbraw/zinc/58/26/37/886582637.db2.gz PCJXIYPZRSBLPI-UHFFFAOYSA-N 2 2 384.520 3.809 20 0 GHADLP COc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(OC)c1OC ZINC000119313452 886582649 /nfs/dbraw/zinc/58/26/49/886582649.db2.gz PCJXIYPZRSBLPI-UHFFFAOYSA-N 2 2 384.520 3.809 20 0 GHADLP CC[N@H+](CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000132116574 886688742 /nfs/dbraw/zinc/68/87/42/886688742.db2.gz IUQRFGYWWWZUHR-UHFFFAOYSA-N 2 2 388.515 3.699 20 0 GHADLP CC[N@@H+](CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000132116574 886688756 /nfs/dbraw/zinc/68/87/56/886688756.db2.gz IUQRFGYWWWZUHR-UHFFFAOYSA-N 2 2 388.515 3.699 20 0 GHADLP CC[N@@H+](Cc1cnn(CC(F)(F)F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537619010 886693795 /nfs/dbraw/zinc/69/37/95/886693795.db2.gz USXSJISLSZZAAY-UHFFFAOYSA-N 2 2 381.446 3.579 20 0 GHADLP CC[N@H+](Cc1cnn(CC(F)(F)F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537619010 886693801 /nfs/dbraw/zinc/69/38/01/886693801.db2.gz USXSJISLSZZAAY-UHFFFAOYSA-N 2 2 381.446 3.579 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)c1C ZINC000057609844 886768737 /nfs/dbraw/zinc/76/87/37/886768737.db2.gz LFNHODWYWBTYNE-UHFFFAOYSA-N 2 2 396.535 3.644 20 0 GHADLP CCCN(CC[NH+]1CCCC1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000287098304 913098978 /nfs/dbraw/zinc/09/89/78/913098978.db2.gz NCOGUJJDMLWIBJ-UHFFFAOYSA-N 2 2 393.535 3.942 20 0 GHADLP CC1(C)CC(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC(C)(C)[NH2+]1 ZINC000454232811 887309530 /nfs/dbraw/zinc/30/95/30/887309530.db2.gz USBDABQVBCYVDJ-UHFFFAOYSA-N 2 2 389.931 3.634 20 0 GHADLP CC1CC[NH+](CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)CC1 ZINC001168499125 887459406 /nfs/dbraw/zinc/45/94/06/887459406.db2.gz ARZVXYXXKNLZLF-JKSUJKDBSA-N 2 2 393.494 3.638 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]C3CCN(c4cccc[nH+]4)CC3)CCC[C@@H]12 ZINC001184429588 913219055 /nfs/dbraw/zinc/21/90/55/913219055.db2.gz YDAWMBPBOQVIIC-GCJKJVERSA-N 2 2 386.540 3.572 20 0 GHADLP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000810171417 888233336 /nfs/dbraw/zinc/23/33/36/888233336.db2.gz JHIIYWZAWULMIE-HNNXBMFYSA-N 2 2 390.318 3.917 20 0 GHADLP C[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000763218412 888349982 /nfs/dbraw/zinc/34/99/82/888349982.db2.gz WMLCHYZRNYVVOF-ROUUACIJSA-N 2 2 391.625 3.969 20 0 GHADLP C[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000763218412 888349999 /nfs/dbraw/zinc/34/99/99/888349999.db2.gz WMLCHYZRNYVVOF-ROUUACIJSA-N 2 2 391.625 3.969 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000865713294 888535513 /nfs/dbraw/zinc/53/55/13/888535513.db2.gz MSSKYJFNOUQKBA-SHTZXODSSA-N 2 2 376.526 3.859 20 0 GHADLP CC[N@H+](C)Cc1cccc(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000061907932 888840756 /nfs/dbraw/zinc/84/07/56/888840756.db2.gz YPZVDSHVZDDEMI-UHFFFAOYSA-N 2 2 395.551 3.523 20 0 GHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000061907932 888840770 /nfs/dbraw/zinc/84/07/70/888840770.db2.gz YPZVDSHVZDDEMI-UHFFFAOYSA-N 2 2 395.551 3.523 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703242 889012896 /nfs/dbraw/zinc/01/28/96/889012896.db2.gz HGKBLDOKULXSHC-JPYJTQIMSA-N 2 2 397.567 3.513 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703242 889012905 /nfs/dbraw/zinc/01/29/05/889012905.db2.gz HGKBLDOKULXSHC-JPYJTQIMSA-N 2 2 397.567 3.513 20 0 GHADLP CN(C(=O)c1ccc(F)c(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124713013 889733389 /nfs/dbraw/zinc/73/33/89/889733389.db2.gz QRCKVTWFWZPWMV-PMACEKPBSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1ccc(F)c(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124713013 889733402 /nfs/dbraw/zinc/73/34/02/889733402.db2.gz QRCKVTWFWZPWMV-PMACEKPBSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1cc2c(s1)CCC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124806054 889770861 /nfs/dbraw/zinc/77/08/61/889770861.db2.gz XCGVZKQKSZRVAE-MOPGFXCFSA-N 2 2 389.609 3.646 20 0 GHADLP CN(C(=O)c1cc2c(s1)CCC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124806054 889770868 /nfs/dbraw/zinc/77/08/68/889770868.db2.gz XCGVZKQKSZRVAE-MOPGFXCFSA-N 2 2 389.609 3.646 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000125284393 889937648 /nfs/dbraw/zinc/93/76/48/889937648.db2.gz JLXIMQLVXZKWSL-UHFFFAOYSA-N 2 2 375.520 3.850 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000125284393 889937660 /nfs/dbraw/zinc/93/76/60/889937660.db2.gz JLXIMQLVXZKWSL-UHFFFAOYSA-N 2 2 375.520 3.850 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(F)cc3C(F)(F)F)[nH+]c2)CC1 ZINC000533252802 890098914 /nfs/dbraw/zinc/09/89/14/890098914.db2.gz IAVPLDUOOPTNFJ-UHFFFAOYSA-N 2 2 396.432 3.804 20 0 GHADLP CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000812013900 890202816 /nfs/dbraw/zinc/20/28/16/890202816.db2.gz GOBXJSWGKAWMIS-UHFFFAOYSA-N 2 2 383.540 3.670 20 0 GHADLP CC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000126053679 890353732 /nfs/dbraw/zinc/35/37/32/890353732.db2.gz PFRKXRZIIFWHPC-LJQANCHMSA-N 2 2 386.927 3.515 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CCCCC[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000533447095 890607971 /nfs/dbraw/zinc/60/79/71/890607971.db2.gz ZFFLLBSSBDUVJL-MESAYYPLSA-N 4 2 380.665 3.766 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CCCCC[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000533447095 890607976 /nfs/dbraw/zinc/60/79/76/890607976.db2.gz ZFFLLBSSBDUVJL-MESAYYPLSA-N 4 2 380.665 3.766 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CCCCC[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000533447095 890607978 /nfs/dbraw/zinc/60/79/78/890607978.db2.gz ZFFLLBSSBDUVJL-MESAYYPLSA-N 4 2 380.665 3.766 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CCCCC[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000533447095 890607983 /nfs/dbraw/zinc/60/79/83/890607983.db2.gz ZFFLLBSSBDUVJL-MESAYYPLSA-N 4 2 380.665 3.766 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(C)c1 ZINC000533528408 890760343 /nfs/dbraw/zinc/76/03/43/890760343.db2.gz WKYYRLLQEUTNAO-KNQAVFIVSA-N 2 2 395.551 3.557 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c(C)c1 ZINC000533528408 890760352 /nfs/dbraw/zinc/76/03/52/890760352.db2.gz WKYYRLLQEUTNAO-KNQAVFIVSA-N 2 2 395.551 3.557 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC(n3cc[nH+]c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000533578615 890889447 /nfs/dbraw/zinc/88/94/47/890889447.db2.gz GBGHIPHWNIUOIV-TZIWHRDSSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC(n3cc[nH+]c3)CC2)C[N@H+]1Cc1ccccc1 ZINC000533578615 890889458 /nfs/dbraw/zinc/88/94/58/890889458.db2.gz GBGHIPHWNIUOIV-TZIWHRDSSA-N 2 2 395.551 3.530 20 0 GHADLP COC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(F)c(F)c1 ZINC000812842715 891030085 /nfs/dbraw/zinc/03/00/85/891030085.db2.gz QIFQOBRIXSVJKR-JOCHJYFZSA-N 2 2 389.490 3.977 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000533672651 891055226 /nfs/dbraw/zinc/05/52/26/891055226.db2.gz YCACAHJMACZXQG-ZCNNSNEGSA-N 2 2 380.621 3.790 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000533672651 891055241 /nfs/dbraw/zinc/05/52/41/891055241.db2.gz YCACAHJMACZXQG-ZCNNSNEGSA-N 2 2 380.621 3.790 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170690672 891103746 /nfs/dbraw/zinc/10/37/46/891103746.db2.gz UIDCVJMPSPOUKP-DENIHFKCSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170690672 891103752 /nfs/dbraw/zinc/10/37/52/891103752.db2.gz UIDCVJMPSPOUKP-DENIHFKCSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170690672 891103756 /nfs/dbraw/zinc/10/37/56/891103756.db2.gz UIDCVJMPSPOUKP-DENIHFKCSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170690672 891103759 /nfs/dbraw/zinc/10/37/59/891103759.db2.gz UIDCVJMPSPOUKP-DENIHFKCSA-N 2 2 378.507 3.645 20 0 GHADLP C[C@H](c1ncc(Br)cn1)[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156949 891185728 /nfs/dbraw/zinc/18/57/28/891185728.db2.gz MRJKZLXIQXQNLC-JKIFEVAISA-N 2 2 381.362 3.920 20 0 GHADLP C[C@H](c1ncc(Br)cn1)[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156949 891185735 /nfs/dbraw/zinc/18/57/35/891185735.db2.gz MRJKZLXIQXQNLC-JKIFEVAISA-N 2 2 381.362 3.920 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000246959308 891326326 /nfs/dbraw/zinc/32/63/26/891326326.db2.gz IMYLWHZCCSECFX-PWHSHALESA-N 2 2 382.527 3.547 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000246959308 891326339 /nfs/dbraw/zinc/32/63/39/891326339.db2.gz IMYLWHZCCSECFX-PWHSHALESA-N 2 2 382.527 3.547 20 0 GHADLP C[C@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1cn2c([nH+]1)CCCC2 ZINC000813325700 891487729 /nfs/dbraw/zinc/48/77/29/891487729.db2.gz JGHNOYBZCZMPFW-OALUTQOASA-N 2 2 382.552 3.770 20 0 GHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000261648200 892057387 /nfs/dbraw/zinc/05/73/87/892057387.db2.gz ATVHVNRZKOXVFV-JQWIXIFHSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000261648200 892057406 /nfs/dbraw/zinc/05/74/06/892057406.db2.gz ATVHVNRZKOXVFV-JQWIXIFHSA-N 2 2 381.236 3.907 20 0 GHADLP O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000261858145 892144236 /nfs/dbraw/zinc/14/42/36/892144236.db2.gz ABGQYPHBFBFCEW-AOIWGVFYSA-N 2 2 396.560 3.561 20 0 GHADLP O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000261858145 892144247 /nfs/dbraw/zinc/14/42/47/892144247.db2.gz ABGQYPHBFBFCEW-AOIWGVFYSA-N 2 2 396.560 3.561 20 0 GHADLP Cc1ccc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)c(C[NH+]2CCOCC2)c1 ZINC001170753940 892984364 /nfs/dbraw/zinc/98/43/64/892984364.db2.gz GKPKPNXZXHGZKG-DEOSSOPVSA-N 2 2 393.575 3.946 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508723381 892988224 /nfs/dbraw/zinc/98/82/24/892988224.db2.gz WHXHSSVWOCDXFV-XUZZJYLKSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508723381 892988234 /nfs/dbraw/zinc/98/82/34/892988234.db2.gz WHXHSSVWOCDXFV-XUZZJYLKSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@](O)(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1Cl ZINC000815070260 893415376 /nfs/dbraw/zinc/41/53/76/893415376.db2.gz SANDDQDVHAPAGK-PXAZEXFGSA-N 2 2 398.732 3.913 20 0 GHADLP C[C@](O)(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1Cl ZINC000815070260 893415383 /nfs/dbraw/zinc/41/53/83/893415383.db2.gz SANDDQDVHAPAGK-PXAZEXFGSA-N 2 2 398.732 3.913 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCCC23CC[NH+](C)CC3)c(C)c1 ZINC000536652061 893425779 /nfs/dbraw/zinc/42/57/79/893425779.db2.gz WFEKSUYFIMABAO-OAQYLSRUSA-N 2 2 395.551 3.511 20 0 GHADLP CC1CC[NH+]([C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)c2cccs2)CC1 ZINC000536652706 893428744 /nfs/dbraw/zinc/42/87/44/893428744.db2.gz LNJLHZWOAFJODI-LJQANCHMSA-N 2 2 395.532 3.532 20 0 GHADLP CCO[P@@](C)(=O)CC[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000877096096 893483511 /nfs/dbraw/zinc/48/35/11/893483511.db2.gz XODRDLUULWYUKA-YHAMSUFESA-N 2 2 382.489 3.747 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CN2CCCC2=O)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000556059244 893584450 /nfs/dbraw/zinc/58/44/50/893584450.db2.gz LFDQUVNZUKTCSX-RJGXRXQPSA-N 2 2 377.532 3.775 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@@H](CN2CCCC2=O)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000556059244 893584454 /nfs/dbraw/zinc/58/44/54/893584454.db2.gz LFDQUVNZUKTCSX-RJGXRXQPSA-N 2 2 377.532 3.775 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556120343 893838672 /nfs/dbraw/zinc/83/86/72/893838672.db2.gz OKIRDFNMSNZKEF-VHJOFQCFSA-N 2 2 389.543 3.569 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556120343 893838694 /nfs/dbraw/zinc/83/86/94/893838694.db2.gz OKIRDFNMSNZKEF-VHJOFQCFSA-N 2 2 389.543 3.569 20 0 GHADLP CC(C)[C@@H](CNC1CC[NH+](Cc2ccccn2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000536879590 894001689 /nfs/dbraw/zinc/00/16/89/894001689.db2.gz YZLYHYREEKQRSS-RUZDIDTESA-N 2 2 392.591 3.719 20 0 GHADLP CC(C)[C@@H](CNC1CC[NH+](Cc2ccccn2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000536879590 894001708 /nfs/dbraw/zinc/00/17/08/894001708.db2.gz YZLYHYREEKQRSS-RUZDIDTESA-N 2 2 392.591 3.719 20 0 GHADLP C[N@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000878171059 894071040 /nfs/dbraw/zinc/07/10/40/894071040.db2.gz YFIXQFXRGJYNJW-BJKOFHAPSA-N 2 2 379.548 3.941 20 0 GHADLP C[N@@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000878171059 894071048 /nfs/dbraw/zinc/07/10/48/894071048.db2.gz YFIXQFXRGJYNJW-BJKOFHAPSA-N 2 2 379.548 3.941 20 0 GHADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3c4sccc4OC(C)(C)[C@@H]3O)CC2)C1 ZINC000459698975 894091155 /nfs/dbraw/zinc/09/11/55/894091155.db2.gz NASLBGBRJIIAFV-RTBCOKGWSA-N 2 2 378.582 3.954 20 0 GHADLP C[C@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878384857 894246844 /nfs/dbraw/zinc/24/68/44/894246844.db2.gz RLEJNTGLCFIEGJ-WMZOPIPTSA-N 2 2 381.549 3.544 20 0 GHADLP C[C@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000878384857 894246866 /nfs/dbraw/zinc/24/68/66/894246866.db2.gz RLEJNTGLCFIEGJ-WMZOPIPTSA-N 2 2 381.549 3.544 20 0 GHADLP c1[nH+]c(C2CC[NH+](Cc3nc(CCc4ccccc4)no3)CC2)n2c1CCCC2 ZINC000563855294 894263868 /nfs/dbraw/zinc/26/38/68/894263868.db2.gz SNEKEYCGKMMACH-UHFFFAOYSA-N 2 2 391.519 3.767 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1(c2ccccc2)CCCC1 ZINC000564148063 894649397 /nfs/dbraw/zinc/64/93/97/894649397.db2.gz LPFJLPQLOYWISQ-VEEZFSHISA-N 2 2 383.580 3.560 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1(c2ccccc2)CCCC1 ZINC000564148063 894649400 /nfs/dbraw/zinc/64/94/00/894649400.db2.gz LPFJLPQLOYWISQ-VEEZFSHISA-N 2 2 383.580 3.560 20 0 GHADLP c1cc2cc(C[N@H+]3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)ccc2o1 ZINC000564297102 894835371 /nfs/dbraw/zinc/83/53/71/894835371.db2.gz LLLFNXAHGUGUIU-NRFANRHFSA-N 2 2 390.531 3.862 20 0 GHADLP c1cc2cc(C[N@@H+]3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)ccc2o1 ZINC000564297102 894835378 /nfs/dbraw/zinc/83/53/78/894835378.db2.gz LLLFNXAHGUGUIU-NRFANRHFSA-N 2 2 390.531 3.862 20 0 GHADLP Cc1nc2ccccc2n1CCCCC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880207189 895572272 /nfs/dbraw/zinc/57/22/72/895572272.db2.gz URIQCMCIDVMFPM-NRFANRHFSA-N 2 2 384.568 3.748 20 0 GHADLP Cc1nc2ccccc2n1CCCCC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880207189 895572282 /nfs/dbraw/zinc/57/22/82/895572282.db2.gz URIQCMCIDVMFPM-NRFANRHFSA-N 2 2 384.568 3.748 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000565591849 895748614 /nfs/dbraw/zinc/74/86/14/895748614.db2.gz ZHNAOBQSHZOUCF-ILWGZMRPSA-N 2 2 392.609 3.934 20 0 GHADLP CCOc1ccccc1NC(=O)CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569104 895750490 /nfs/dbraw/zinc/75/04/90/895750490.db2.gz HTWIGOIKYQXVFX-HXUWFJFHSA-N 2 2 378.476 3.642 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C(C)=C/c3ccc(Cl)cc3)CC2)CC1 ZINC000817657402 895792230 /nfs/dbraw/zinc/79/22/30/895792230.db2.gz YMBQQPZIJAOXTL-ISLYRVAYSA-N 2 2 389.971 3.762 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C(C)=C/c3ccc(Cl)cc3)CC2)CC1 ZINC000817657402 895792249 /nfs/dbraw/zinc/79/22/49/895792249.db2.gz YMBQQPZIJAOXTL-ISLYRVAYSA-N 2 2 389.971 3.762 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000565773061 895867736 /nfs/dbraw/zinc/86/77/36/895867736.db2.gz HCNUDWRVEHSSLX-HAEOHBJNSA-N 2 2 389.902 3.677 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000565773061 895867744 /nfs/dbraw/zinc/86/77/44/895867744.db2.gz HCNUDWRVEHSSLX-HAEOHBJNSA-N 2 2 389.902 3.677 20 0 GHADLP O[C@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000818945626 896286724 /nfs/dbraw/zinc/28/67/24/896286724.db2.gz MOZJFOIXORNDRC-LJQANCHMSA-N 2 2 375.394 3.773 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000566417075 896297708 /nfs/dbraw/zinc/29/77/08/896297708.db2.gz RQXVVRNODFFIMC-BFHYXJOUSA-N 2 2 395.334 3.782 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000566417075 896297722 /nfs/dbraw/zinc/29/77/22/896297722.db2.gz RQXVVRNODFFIMC-BFHYXJOUSA-N 2 2 395.334 3.782 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)cn1 ZINC000796272188 914070798 /nfs/dbraw/zinc/07/07/98/914070798.db2.gz VCHFURFWSSJCKW-UHFFFAOYSA-N 2 2 387.274 3.820 20 0 GHADLP O[C@@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(Cl)c(F)c1 ZINC000819276018 896560535 /nfs/dbraw/zinc/56/05/35/896560535.db2.gz ZCKOIDZWLDOGOH-KVULBXGLSA-N 2 2 394.840 3.907 20 0 GHADLP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000567523639 897223245 /nfs/dbraw/zinc/22/32/45/897223245.db2.gz HOKUODIQVBLAJU-PXIKZMAHSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000567523639 897223254 /nfs/dbraw/zinc/22/32/54/897223254.db2.gz HOKUODIQVBLAJU-PXIKZMAHSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000568809141 898120454 /nfs/dbraw/zinc/12/04/54/898120454.db2.gz RKMXTGOAYFMPAL-IRLDBZIGSA-N 2 2 394.563 3.587 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000568809141 898120465 /nfs/dbraw/zinc/12/04/65/898120465.db2.gz RKMXTGOAYFMPAL-IRLDBZIGSA-N 2 2 394.563 3.587 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000800221512 898764616 /nfs/dbraw/zinc/76/46/16/898764616.db2.gz NTYOOECLWVYNNH-GASCZTMLSA-N 2 2 382.574 3.948 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000800221512 898764624 /nfs/dbraw/zinc/76/46/24/898764624.db2.gz NTYOOECLWVYNNH-GASCZTMLSA-N 2 2 382.574 3.948 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cc2nnnn2-c2c(C)cccc2C)CC1)CC1CC1 ZINC000569636048 898839672 /nfs/dbraw/zinc/83/96/72/898839672.db2.gz DCRIIFBMIZXZPP-UHFFFAOYSA-N 2 2 396.583 3.613 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cc2nnnn2-c2c(C)cccc2C)CC1)CC1CC1 ZINC000569636048 898839688 /nfs/dbraw/zinc/83/96/88/898839688.db2.gz DCRIIFBMIZXZPP-UHFFFAOYSA-N 2 2 396.583 3.613 20 0 GHADLP Fc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c2c(c1)COCO2 ZINC000569891320 899009220 /nfs/dbraw/zinc/00/92/20/899009220.db2.gz GEGKFCYCRFVREW-WIYYLYMNSA-N 2 2 382.479 3.646 20 0 GHADLP Fc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c2c(c1)COCO2 ZINC000569891320 899009233 /nfs/dbraw/zinc/00/92/33/899009233.db2.gz GEGKFCYCRFVREW-WIYYLYMNSA-N 2 2 382.479 3.646 20 0 GHADLP Fc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c2c(c1)COCO2 ZINC000569891320 899009247 /nfs/dbraw/zinc/00/92/47/899009247.db2.gz GEGKFCYCRFVREW-WIYYLYMNSA-N 2 2 382.479 3.646 20 0 GHADLP Fc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c2c(c1)COCO2 ZINC000569891320 899009256 /nfs/dbraw/zinc/00/92/56/899009256.db2.gz GEGKFCYCRFVREW-WIYYLYMNSA-N 2 2 382.479 3.646 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)s1 ZINC000796307911 914310589 /nfs/dbraw/zinc/31/05/89/914310589.db2.gz OAFGPUJOBYXQCS-AWEZNQCLSA-N 2 2 384.471 3.592 20 0 GHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000823684676 899185809 /nfs/dbraw/zinc/18/58/09/899185809.db2.gz ZSEZTSZQSLLCCG-FQEVSTJZSA-N 2 2 380.492 3.773 20 0 GHADLP Cc1ccc(NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1Cl ZINC000333018917 899896165 /nfs/dbraw/zinc/89/61/65/899896165.db2.gz HUEWMECUQKAWKG-UHFFFAOYSA-N 2 2 386.927 3.999 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1cccc2ccccc21 ZINC000572011532 900033781 /nfs/dbraw/zinc/03/37/81/900033781.db2.gz HCPXCFKHJHRJTG-LNLFQRSKSA-N 2 2 376.504 3.629 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1cccc2ccccc21 ZINC000572011532 900033792 /nfs/dbraw/zinc/03/37/92/900033792.db2.gz HCPXCFKHJHRJTG-LNLFQRSKSA-N 2 2 376.504 3.629 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1=S ZINC000884483114 900127715 /nfs/dbraw/zinc/12/77/15/900127715.db2.gz NTATVAAGYZMHQU-SQNIBIBYSA-N 2 2 395.617 3.685 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1=S ZINC000884483114 900127724 /nfs/dbraw/zinc/12/77/24/900127724.db2.gz NTATVAAGYZMHQU-SQNIBIBYSA-N 2 2 395.617 3.685 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4cc(C)ccc4n3)CC2)C1 ZINC001137211341 900146820 /nfs/dbraw/zinc/14/68/20/900146820.db2.gz OZAFBYNZIITXFG-FQEVSTJZSA-N 2 2 395.547 3.783 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4cc(C)ccc4n3)CC2)C1 ZINC001137211341 900146823 /nfs/dbraw/zinc/14/68/23/900146823.db2.gz OZAFBYNZIITXFG-FQEVSTJZSA-N 2 2 395.547 3.783 20 0 GHADLP [NH3+][C@@H]1CCc2c3ccccc3n(-c3c(Br)ccc4[nH+]ccn43)c2C1 ZINC001171100053 900456140 /nfs/dbraw/zinc/45/61/40/900456140.db2.gz RHZUKECTLRVTBZ-GFCCVEGCSA-N 2 2 381.277 3.857 20 0 GHADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000573529547 900541143 /nfs/dbraw/zinc/54/11/43/900541143.db2.gz AZJOXBDOMXKLOP-UHFFFAOYSA-N 2 2 390.531 3.584 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1C ZINC000574716258 900977296 /nfs/dbraw/zinc/97/72/96/900977296.db2.gz WFIOXPAHGZBCAH-UYAOXDASSA-N 2 2 396.535 3.511 20 0 GHADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3ccccc3C(F)(F)F)CC2)[nH+]c1C ZINC000886668440 901216677 /nfs/dbraw/zinc/21/66/77/901216677.db2.gz STPKEZROGUYBDQ-UHFFFAOYSA-N 2 2 380.414 3.863 20 0 GHADLP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000092645246 901503103 /nfs/dbraw/zinc/50/31/03/901503103.db2.gz YKKBOXMKAWKMME-UHFFFAOYSA-N 2 2 389.547 3.919 20 0 GHADLP Cc1cccc(-c2n[nH]cc2C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000092645246 901503113 /nfs/dbraw/zinc/50/31/13/901503113.db2.gz YKKBOXMKAWKMME-UHFFFAOYSA-N 2 2 389.547 3.919 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000093318531 901540651 /nfs/dbraw/zinc/54/06/51/901540651.db2.gz PARHZQNIQCXXDM-WMZHIEFXSA-N 2 2 389.547 3.967 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000093318531 901540755 /nfs/dbraw/zinc/54/07/55/901540755.db2.gz PARHZQNIQCXXDM-WMZHIEFXSA-N 2 2 389.547 3.967 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000093318531 901540793 /nfs/dbraw/zinc/54/07/93/901540793.db2.gz PARHZQNIQCXXDM-WMZHIEFXSA-N 2 2 389.547 3.967 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000093318531 901540805 /nfs/dbraw/zinc/54/08/05/901540805.db2.gz PARHZQNIQCXXDM-WMZHIEFXSA-N 2 2 389.547 3.967 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000576056625 901626444 /nfs/dbraw/zinc/62/64/44/901626444.db2.gz OZYYBAQJJGOACT-LADGPHEKSA-N 2 2 399.579 3.557 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000576056625 901626450 /nfs/dbraw/zinc/62/64/50/901626450.db2.gz OZYYBAQJJGOACT-LADGPHEKSA-N 2 2 399.579 3.557 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000576056625 901626459 /nfs/dbraw/zinc/62/64/59/901626459.db2.gz OZYYBAQJJGOACT-LADGPHEKSA-N 2 2 399.579 3.557 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000576056625 901626467 /nfs/dbraw/zinc/62/64/67/901626467.db2.gz OZYYBAQJJGOACT-LADGPHEKSA-N 2 2 399.579 3.557 20 0 GHADLP Oc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(C(F)(F)F)c1 ZINC001144386652 901975426 /nfs/dbraw/zinc/97/54/26/901975426.db2.gz BMQDCPGAYOGRNO-AEFFLSMTSA-N 2 2 391.437 3.760 20 0 GHADLP Oc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(C(F)(F)F)c1 ZINC001144386652 901975434 /nfs/dbraw/zinc/97/54/34/901975434.db2.gz BMQDCPGAYOGRNO-AEFFLSMTSA-N 2 2 391.437 3.760 20 0 GHADLP Oc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c(C(F)(F)F)c1 ZINC001144386652 901975441 /nfs/dbraw/zinc/97/54/41/901975441.db2.gz BMQDCPGAYOGRNO-AEFFLSMTSA-N 2 2 391.437 3.760 20 0 GHADLP Oc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c(C(F)(F)F)c1 ZINC001144386652 901975448 /nfs/dbraw/zinc/97/54/48/901975448.db2.gz BMQDCPGAYOGRNO-AEFFLSMTSA-N 2 2 391.437 3.760 20 0 GHADLP Cc1ccc([C@@H]([NH2+]CCC[NH2+]C(C)C)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000576742916 902230605 /nfs/dbraw/zinc/23/06/05/902230605.db2.gz IRKOGUZEXQUPAB-QFIPXVFZSA-N 2 2 388.577 3.774 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cn1 ZINC000126324245 902310246 /nfs/dbraw/zinc/31/02/46/902310246.db2.gz OOTUJZVCGXPVKP-OAHLLOKOSA-N 2 2 390.491 3.710 20 0 GHADLP CC(C)(C)OC(=O)NCCC1CC([NH2+]CC2([NH+]3CCSCC3)CCCC2)C1 ZINC000845923531 902531830 /nfs/dbraw/zinc/53/18/30/902531830.db2.gz NSYBGFDCJZEITH-UHFFFAOYSA-N 2 2 397.629 3.631 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000778998075 902656955 /nfs/dbraw/zinc/65/69/55/902656955.db2.gz HAJJZXAREVDJAN-PMACEKPBSA-N 2 2 384.524 3.656 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2F)[C@@H](C)C1 ZINC000846060490 902674013 /nfs/dbraw/zinc/67/40/13/902674013.db2.gz NLXZVTJOPXPOES-HNAYVOBHSA-N 2 2 379.520 3.670 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2F)[C@@H](C)C1 ZINC000846060490 902674024 /nfs/dbraw/zinc/67/40/24/902674024.db2.gz NLXZVTJOPXPOES-HNAYVOBHSA-N 2 2 379.520 3.670 20 0 GHADLP CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC001144758963 902820651 /nfs/dbraw/zinc/82/06/51/902820651.db2.gz RZZRIVYDPZMIOI-HXUWFJFHSA-N 2 2 398.551 3.574 20 0 GHADLP CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC001144758963 902820658 /nfs/dbraw/zinc/82/06/58/902820658.db2.gz RZZRIVYDPZMIOI-HXUWFJFHSA-N 2 2 398.551 3.574 20 0 GHADLP CC(C)c1ccoc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000577778094 903175769 /nfs/dbraw/zinc/17/57/69/903175769.db2.gz SFWJLZIVFFURNH-WOJBJXKFSA-N 2 2 375.557 3.812 20 0 GHADLP CC(C)c1ccoc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000577778094 903175772 /nfs/dbraw/zinc/17/57/72/903175772.db2.gz SFWJLZIVFFURNH-WOJBJXKFSA-N 2 2 375.557 3.812 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)[NH+]2CCCC2)o1 ZINC000600985562 903187812 /nfs/dbraw/zinc/18/78/12/903187812.db2.gz ZEMXOEHHCCNSTD-UYAOXDASSA-N 2 2 389.927 3.797 20 0 GHADLP Cc1c([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cnn1-c1cccc(Cl)c1 ZINC000577839701 903259315 /nfs/dbraw/zinc/25/93/15/903259315.db2.gz KGPYOHRGOREBBJ-OAHLLOKOSA-N 2 2 396.926 3.812 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc2c(c1)CCCC2 ZINC000601067172 903291513 /nfs/dbraw/zinc/29/15/13/903291513.db2.gz OAGGFBAATJCUPV-NPPFBWRTSA-N 2 2 380.536 3.665 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc2c(c1)CCCC2 ZINC000601067172 903291524 /nfs/dbraw/zinc/29/15/24/903291524.db2.gz OAGGFBAATJCUPV-NPPFBWRTSA-N 2 2 380.536 3.665 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000578217121 903624244 /nfs/dbraw/zinc/62/42/44/903624244.db2.gz IVUSLDPJCUBERA-XQXKNUKBSA-N 2 2 395.551 3.508 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000578217121 903624258 /nfs/dbraw/zinc/62/42/58/903624258.db2.gz IVUSLDPJCUBERA-XQXKNUKBSA-N 2 2 395.551 3.508 20 0 GHADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Br)ccc3OC(F)F)C[C@@H]21 ZINC000578507525 903916942 /nfs/dbraw/zinc/91/69/42/903916942.db2.gz USHMYVACGSAINL-LEWSCRJBSA-N 2 2 375.257 3.610 20 0 GHADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Br)ccc3OC(F)F)C[C@@H]21 ZINC000578507525 903916953 /nfs/dbraw/zinc/91/69/53/903916953.db2.gz USHMYVACGSAINL-LEWSCRJBSA-N 2 2 375.257 3.610 20 0 GHADLP CC(C)[C@H](CCc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000578651183 904027509 /nfs/dbraw/zinc/02/75/09/904027509.db2.gz HDJBMXQNZSIWHI-QHCPKHFHSA-N 2 2 399.623 3.958 20 0 GHADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000578668778 904037228 /nfs/dbraw/zinc/03/72/28/904037228.db2.gz PFEDAKFDFYCPGH-UHFFFAOYSA-N 2 2 393.325 3.646 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000152052973 904228701 /nfs/dbraw/zinc/22/87/01/904228701.db2.gz VSOZDLJLBSQZBU-NQIIRXRSSA-N 2 2 383.540 3.516 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000152052973 904228712 /nfs/dbraw/zinc/22/87/12/904228712.db2.gz VSOZDLJLBSQZBU-NQIIRXRSSA-N 2 2 383.540 3.516 20 0 GHADLP [NH3+]C[C@H]([NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)c1ccc(Br)cc1 ZINC001171344291 904321538 /nfs/dbraw/zinc/32/15/38/904321538.db2.gz BZIDSQMMTSJYOQ-QAPCUYQASA-N 2 2 381.264 3.874 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171481708 904753329 /nfs/dbraw/zinc/75/33/29/904753329.db2.gz IHZDUXKXAADLIX-KNQAVFIVSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171481708 904753345 /nfs/dbraw/zinc/75/33/45/904753345.db2.gz IHZDUXKXAADLIX-KNQAVFIVSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171481708 904753359 /nfs/dbraw/zinc/75/33/59/904753359.db2.gz IHZDUXKXAADLIX-KNQAVFIVSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171481708 904753375 /nfs/dbraw/zinc/75/33/75/904753375.db2.gz IHZDUXKXAADLIX-KNQAVFIVSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171540842 904767151 /nfs/dbraw/zinc/76/71/51/904767151.db2.gz WJAKCVXBEQVQAO-HNNXBMFYSA-N 2 2 392.469 3.514 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171540842 904767158 /nfs/dbraw/zinc/76/71/58/904767158.db2.gz WJAKCVXBEQVQAO-HNNXBMFYSA-N 2 2 392.469 3.514 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171540842 904767169 /nfs/dbraw/zinc/76/71/69/904767169.db2.gz WJAKCVXBEQVQAO-HNNXBMFYSA-N 2 2 392.469 3.514 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171540842 904767173 /nfs/dbraw/zinc/76/71/73/904767173.db2.gz WJAKCVXBEQVQAO-HNNXBMFYSA-N 2 2 392.469 3.514 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C[C@H]1C(C)(C)C ZINC001171593927 904844846 /nfs/dbraw/zinc/84/48/46/904844846.db2.gz UDKMLWLHLURLKE-FHWLQOOXSA-N 2 2 379.589 3.875 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1C(C)(C)C ZINC001171593927 904844864 /nfs/dbraw/zinc/84/48/64/904844864.db2.gz UDKMLWLHLURLKE-FHWLQOOXSA-N 2 2 379.589 3.875 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CN1Cc1ccccc1 ZINC001171753953 904986164 /nfs/dbraw/zinc/98/61/64/904986164.db2.gz YUWQWAZIVBVSHY-NMIHRBCNSA-N 2 2 381.589 3.775 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC[NH+](Cc4ccccn4)CC2)C3)cc1 ZINC001172071323 905273011 /nfs/dbraw/zinc/27/30/11/905273011.db2.gz HSEKSZYLFFXCBX-QEIWAGNOSA-N 2 2 390.575 3.785 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC[NH+](Cc4ccccn4)CC2)C3)cc1 ZINC001172071323 905273026 /nfs/dbraw/zinc/27/30/26/905273026.db2.gz HSEKSZYLFFXCBX-QEIWAGNOSA-N 2 2 390.575 3.785 20 0 GHADLP CCOC(=O)[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCS1 ZINC001172087078 905301926 /nfs/dbraw/zinc/30/19/26/905301926.db2.gz JHRKUEFQVUNVCY-BQJUDKOJSA-N 2 2 388.577 3.553 20 0 GHADLP CCOC(=O)[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCS1 ZINC001172087078 905301943 /nfs/dbraw/zinc/30/19/43/905301943.db2.gz JHRKUEFQVUNVCY-BQJUDKOJSA-N 2 2 388.577 3.553 20 0 GHADLP CCOC(=O)[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCS1 ZINC001172087078 905301960 /nfs/dbraw/zinc/30/19/60/905301960.db2.gz JHRKUEFQVUNVCY-BQJUDKOJSA-N 2 2 388.577 3.553 20 0 GHADLP CCOC(=O)[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCS1 ZINC001172087078 905301972 /nfs/dbraw/zinc/30/19/72/905301972.db2.gz JHRKUEFQVUNVCY-BQJUDKOJSA-N 2 2 388.577 3.553 20 0 GHADLP [NH3+][C@H]1CC[C@H]([N@H+](C2COC2)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172065201 905326537 /nfs/dbraw/zinc/32/65/37/905326537.db2.gz IVWLWACSOQFMCM-DTUBNOLGSA-N 3 2 383.580 3.543 20 0 GHADLP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172065201 905326542 /nfs/dbraw/zinc/32/65/42/905326542.db2.gz IVWLWACSOQFMCM-DTUBNOLGSA-N 3 2 383.580 3.543 20 0 GHADLP [NH3+][C@H]1CC[C@H]([NH+](C2COC2)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172065201 905326557 /nfs/dbraw/zinc/32/65/57/905326557.db2.gz IVWLWACSOQFMCM-DTUBNOLGSA-N 3 2 383.580 3.543 20 0 GHADLP [NH3+][C@H]1CC[C@H]([NH+](C2COC2)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172065201 905326572 /nfs/dbraw/zinc/32/65/72/905326572.db2.gz IVWLWACSOQFMCM-DTUBNOLGSA-N 3 2 383.580 3.543 20 0 GHADLP Clc1ccc2c(c1)C[C@H](N(c1cccc[nH+]1)[C@H]1COC3(C1)CC[NH2+]CC3)C2 ZINC001172718543 905768754 /nfs/dbraw/zinc/76/87/54/905768754.db2.gz RIZDYXANRZQUPL-WOJBJXKFSA-N 2 2 383.923 3.620 20 0 GHADLP c1cn(Cc2nnn3c2C[N@H+](C2CCC(Cc4ccccc4)CC2)CCC3)c[nH+]1 ZINC001172820954 905852614 /nfs/dbraw/zinc/85/26/14/905852614.db2.gz BSAZMVBDVVDARB-UHFFFAOYSA-N 2 2 390.535 3.530 20 0 GHADLP c1cn(Cc2nnn3c2C[N@@H+](C2CCC(Cc4ccccc4)CC2)CCC3)c[nH+]1 ZINC001172820954 905852620 /nfs/dbraw/zinc/85/26/20/905852620.db2.gz BSAZMVBDVVDARB-UHFFFAOYSA-N 2 2 390.535 3.530 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1C ZINC000176499523 905856620 /nfs/dbraw/zinc/85/66/20/905856620.db2.gz HMZYOCRSCWWLAJ-UHFFFAOYSA-N 2 2 388.556 3.646 20 0 GHADLP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172867982 905889956 /nfs/dbraw/zinc/88/99/56/905889956.db2.gz QQEQVODDWITSEW-LZQZEXGQSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172867982 905889960 /nfs/dbraw/zinc/88/99/60/905889960.db2.gz QQEQVODDWITSEW-LZQZEXGQSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172867982 905889965 /nfs/dbraw/zinc/88/99/65/905889965.db2.gz QQEQVODDWITSEW-LZQZEXGQSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172867982 905890056 /nfs/dbraw/zinc/89/00/56/905890056.db2.gz QQEQVODDWITSEW-LZQZEXGQSA-N 2 2 390.934 3.598 20 0 GHADLP CC1CCC2(CC1)OC[C@H](C[NH2+]C1CCN(c3ccc([NH+](C)C)cc3)CC1)O2 ZINC000777315051 905977402 /nfs/dbraw/zinc/97/74/02/905977402.db2.gz MSPDZRVXRKRRBJ-PHBIXPCASA-N 2 2 387.568 3.633 20 0 GHADLP CCOCc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1OC ZINC000179696984 906564531 /nfs/dbraw/zinc/56/45/31/906564531.db2.gz WLYRHFFWDHXWSM-UHFFFAOYSA-N 2 2 397.563 3.766 20 0 GHADLP CCOCc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1OC ZINC000179696984 906564543 /nfs/dbraw/zinc/56/45/43/906564543.db2.gz WLYRHFFWDHXWSM-UHFFFAOYSA-N 2 2 397.563 3.766 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)C1 ZINC001173636348 906588815 /nfs/dbraw/zinc/58/88/15/906588815.db2.gz YPAFASABOIMHJR-LAUBAEHRSA-N 2 2 376.516 3.810 20 0 GHADLP CC(C)N(C)c1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cn1 ZINC000191210898 906751869 /nfs/dbraw/zinc/75/18/69/906751869.db2.gz XKZSPENMBYULRJ-UHFFFAOYSA-N 2 2 381.568 3.751 20 0 GHADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Br)c(F)c2F)C1 ZINC000629547429 906861980 /nfs/dbraw/zinc/86/19/80/906861980.db2.gz JRMOUGBOHHZXGI-YUELXQCFSA-N 2 2 389.284 3.588 20 0 GHADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)c(F)c2F)C1 ZINC000629547429 906861991 /nfs/dbraw/zinc/86/19/91/906861991.db2.gz JRMOUGBOHHZXGI-YUELXQCFSA-N 2 2 389.284 3.588 20 0 GHADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc(OC)c1OC ZINC000181593305 907034367 /nfs/dbraw/zinc/03/43/67/907034367.db2.gz AXPADJIIWPIQIN-SJORKVTESA-N 2 2 399.535 3.984 20 0 GHADLP O[C@]1(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001174846714 907254343 /nfs/dbraw/zinc/25/43/43/907254343.db2.gz XEZGRALNMRTNLW-OFNKIYASSA-N 2 2 386.486 3.781 20 0 GHADLP O[C@]1(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001174846714 907254353 /nfs/dbraw/zinc/25/43/53/907254353.db2.gz XEZGRALNMRTNLW-OFNKIYASSA-N 2 2 386.486 3.781 20 0 GHADLP O[C@]1(C[NH+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001174846714 907254366 /nfs/dbraw/zinc/25/43/66/907254366.db2.gz XEZGRALNMRTNLW-OFNKIYASSA-N 2 2 386.486 3.781 20 0 GHADLP O[C@]1(C[NH+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001174846714 907254374 /nfs/dbraw/zinc/25/43/74/907254374.db2.gz XEZGRALNMRTNLW-OFNKIYASSA-N 2 2 386.486 3.781 20 0 GHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)C[C@@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000192146010 907471492 /nfs/dbraw/zinc/47/14/92/907471492.db2.gz IDWRGSQXCDGQDS-NRFANRHFSA-N 2 2 397.519 3.660 20 0 GHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000192146010 907471497 /nfs/dbraw/zinc/47/14/97/907471497.db2.gz IDWRGSQXCDGQDS-NRFANRHFSA-N 2 2 397.519 3.660 20 0 GHADLP c1c[nH+]c(N2CCOCC2)c(Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC001175797041 907724236 /nfs/dbraw/zinc/72/42/36/907724236.db2.gz ZKPUOMNYRDBJQX-UHFFFAOYSA-N 2 2 382.508 3.527 20 0 GHADLP C[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000187134034 908045379 /nfs/dbraw/zinc/04/53/79/908045379.db2.gz VRLLZOKSGAVBCF-NRFANRHFSA-N 2 2 391.918 3.546 20 0 GHADLP C[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000187134034 908045389 /nfs/dbraw/zinc/04/53/89/908045389.db2.gz VRLLZOKSGAVBCF-NRFANRHFSA-N 2 2 391.918 3.546 20 0 GHADLP COc1ccc(CC[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)cc1 ZINC001177099315 908406496 /nfs/dbraw/zinc/40/64/96/908406496.db2.gz YGBPLOAVSBORII-UHFFFAOYSA-N 2 2 385.895 3.956 20 0 GHADLP Cc1cc(C2OCCO2)c(C)cc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001177217270 908468964 /nfs/dbraw/zinc/46/89/64/908468964.db2.gz HZPRKUOFQSHXPC-UHFFFAOYSA-N 2 2 377.488 3.883 20 0 GHADLP FC(F)(F)SCC[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001177276753 908512665 /nfs/dbraw/zinc/51/26/65/908512665.db2.gz GVNIRSLJTZNNBW-UHFFFAOYSA-N 2 2 379.835 3.958 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cnn(C(C)C)c3C)cc2)CC1 ZINC000191181806 908591136 /nfs/dbraw/zinc/59/11/36/908591136.db2.gz XHXINOGMDOZXTR-IBGZPJMESA-N 2 2 383.584 3.761 20 0 GHADLP Cc1cc(Cl)cc(C)c1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC001177510843 908610131 /nfs/dbraw/zinc/61/01/31/908610131.db2.gz MQHIOHBTJSSXHT-UHFFFAOYSA-N 2 2 388.939 3.958 20 0 GHADLP Cc1cc(Cl)nc(C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)c1 ZINC001178550079 909103309 /nfs/dbraw/zinc/10/33/09/909103309.db2.gz VCSLEOFCWWFHJH-UHFFFAOYSA-N 2 2 383.826 3.716 20 0 GHADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635711802 909331853 /nfs/dbraw/zinc/33/18/53/909331853.db2.gz LVBKICZMWJHTCA-KRWDZBQOSA-N 2 2 380.414 3.920 20 0 GHADLP CC1CC[NH+](C2CCC(NC(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)CC2)CC1 ZINC000635728067 909335747 /nfs/dbraw/zinc/33/57/47/909335747.db2.gz SSDGQLXOJFGPIU-OFLPRAFFSA-N 2 2 386.462 3.536 20 0 GHADLP C[C@H]1C[C@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000267508778 909536160 /nfs/dbraw/zinc/53/61/60/909536160.db2.gz LFZNKABAUWKTGB-WMZHIEFXSA-N 2 2 388.515 3.714 20 0 GHADLP C[C@H]1C[C@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000267508778 909536167 /nfs/dbraw/zinc/53/61/67/909536167.db2.gz LFZNKABAUWKTGB-WMZHIEFXSA-N 2 2 388.515 3.714 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+][C@@]2(C)CCOc3ccccc32)c2c1OC(F)(F)O2 ZINC001179658345 909623743 /nfs/dbraw/zinc/62/37/43/909623743.db2.gz GVKORQPFMYTVGW-FQEVSTJZSA-N 2 2 390.430 3.857 20 0 GHADLP Fc1ccc(C(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)c2ccc(F)cc2)cc1 ZINC001179666401 909656897 /nfs/dbraw/zinc/65/68/97/909656897.db2.gz QVPTZKBMXOUTIE-QFIPXVFZSA-N 2 2 386.486 3.940 20 0 GHADLP Fc1ccc(C(C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)c2ccc(F)cc2)cc1 ZINC001179666401 909656910 /nfs/dbraw/zinc/65/69/10/909656910.db2.gz QVPTZKBMXOUTIE-QFIPXVFZSA-N 2 2 386.486 3.940 20 0 GHADLP CCC1([NH+](C)C)CCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000636959023 909676752 /nfs/dbraw/zinc/67/67/52/909676752.db2.gz HNWKBFITYZUONK-NRFANRHFSA-N 2 2 397.567 3.757 20 0 GHADLP C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000639551301 910505569 /nfs/dbraw/zinc/50/55/69/910505569.db2.gz LGUZVCPXPOBEHP-GOSISDBHSA-N 2 2 393.535 3.520 20 0 GHADLP C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000639551301 910505583 /nfs/dbraw/zinc/50/55/83/910505583.db2.gz LGUZVCPXPOBEHP-GOSISDBHSA-N 2 2 393.535 3.520 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3c(C4CC4)nc4sccn34)[nH+]c2)CC1 ZINC000271657744 911004941 /nfs/dbraw/zinc/00/49/41/911004941.db2.gz KNCUMGPTESPDRA-UHFFFAOYSA-N 2 2 396.564 3.811 20 0 GHADLP Cc1sccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000640466066 911035954 /nfs/dbraw/zinc/03/59/54/911035954.db2.gz VMLLHVRZVQDKPJ-RTBURBONSA-N 2 2 378.586 3.857 20 0 GHADLP Cc1sccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000640466066 911035970 /nfs/dbraw/zinc/03/59/70/911035970.db2.gz VMLLHVRZVQDKPJ-RTBURBONSA-N 2 2 378.586 3.857 20 0 GHADLP Cc1cccc(F)c1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000274105377 911224352 /nfs/dbraw/zinc/22/43/52/911224352.db2.gz KQZYKRRSYPHSTM-UXHICEINSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cccc(F)c1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000274105377 911224364 /nfs/dbraw/zinc/22/43/64/911224364.db2.gz KQZYKRRSYPHSTM-UXHICEINSA-N 2 2 390.547 3.935 20 0 GHADLP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3Cl)[NH+](CC)CC)C[C@H]2C1 ZINC001182219852 911310117 /nfs/dbraw/zinc/31/01/17/911310117.db2.gz CPXPSCQJXLVEBE-MBOZVWFJSA-N 2 2 377.960 3.523 20 0 GHADLP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H](c3ncc[nH]3)c3ccccc3)cc2)CC1 ZINC000284372453 911843869 /nfs/dbraw/zinc/84/38/69/911843869.db2.gz NUBSPZRWMZFESJ-QFIPXVFZSA-N 2 2 376.504 3.762 20 0 GHADLP Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000642524021 912133304 /nfs/dbraw/zinc/13/33/04/912133304.db2.gz JTARZJNHFPUCGY-OAQYLSRUSA-N 2 2 383.561 3.538 20 0 GHADLP Cc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000642524021 912133311 /nfs/dbraw/zinc/13/33/11/912133311.db2.gz JTARZJNHFPUCGY-OAQYLSRUSA-N 2 2 383.561 3.538 20 0 GHADLP COc1cccc([C@H](CNC2CC[NH+](CCC(F)(F)F)CC2)[NH+]2CCCC2)c1 ZINC000291067383 914953331 /nfs/dbraw/zinc/95/33/31/914953331.db2.gz KYUVKMFENAJZCE-FQEVSTJZSA-N 2 2 399.501 3.839 20 0 GHADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000647249272 915107330 /nfs/dbraw/zinc/10/73/30/915107330.db2.gz OXWMGNSFSAKONP-KTJVCJKDSA-N 3 2 377.576 3.975 20 0 GHADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000647249272 915107349 /nfs/dbraw/zinc/10/73/49/915107349.db2.gz OXWMGNSFSAKONP-KTJVCJKDSA-N 3 2 377.576 3.975 20 0 GHADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000647249272 915107357 /nfs/dbraw/zinc/10/73/57/915107357.db2.gz OXWMGNSFSAKONP-KTJVCJKDSA-N 3 2 377.576 3.975 20 0 GHADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000647249272 915107368 /nfs/dbraw/zinc/10/73/68/915107368.db2.gz OXWMGNSFSAKONP-KTJVCJKDSA-N 3 2 377.576 3.975 20 0 GHADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)CC[C@H]21 ZINC000291494069 915213551 /nfs/dbraw/zinc/21/35/51/915213551.db2.gz MUJCXZYHNRWVME-WIYYLYMNSA-N 2 2 393.535 3.834 20 0 GHADLP C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)CC[C@H]21 ZINC000291494069 915213568 /nfs/dbraw/zinc/21/35/68/915213568.db2.gz MUJCXZYHNRWVME-WIYYLYMNSA-N 2 2 393.535 3.834 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482451 915295183 /nfs/dbraw/zinc/29/51/83/915295183.db2.gz GPNJVRWCCVTHKZ-UHFFFAOYSA-N 2 2 389.341 3.660 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482451 915295193 /nfs/dbraw/zinc/29/51/93/915295193.db2.gz GPNJVRWCCVTHKZ-UHFFFAOYSA-N 2 2 389.341 3.660 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000648791075 915882321 /nfs/dbraw/zinc/88/23/21/915882321.db2.gz OYYUCXQTUMYZBC-SQNIBIBYSA-N 2 2 384.524 3.645 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)c(C)c1 ZINC000775312676 916918469 /nfs/dbraw/zinc/91/84/69/916918469.db2.gz CZSACYOOVLXYPE-JOCHJYFZSA-N 2 2 388.515 3.940 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2cc(C(F)F)ccc2F)([NH+]2CCCCC2)CC1 ZINC000650386851 916941545 /nfs/dbraw/zinc/94/15/45/916941545.db2.gz OELXCTDJIFDCNP-UHFFFAOYSA-N 2 2 398.473 3.835 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1)C(C)C ZINC000363369895 918158999 /nfs/dbraw/zinc/15/89/99/918158999.db2.gz WKESRAWDWSBOGY-UHFFFAOYSA-N 2 2 380.536 3.711 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1)C(C)C ZINC000363369895 918159024 /nfs/dbraw/zinc/15/90/24/918159024.db2.gz WKESRAWDWSBOGY-UHFFFAOYSA-N 2 2 380.536 3.711 20 0 GHADLP CCOc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc(Cl)c1O ZINC000298717200 920844383 /nfs/dbraw/zinc/84/43/83/920844383.db2.gz YPEWEVDXNRTHIN-UHFFFAOYSA-N 2 2 390.911 3.566 20 0 GHADLP CC[N@H+](Cc1ncc(Cl)n1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365513006 920888425 /nfs/dbraw/zinc/88/84/25/920888425.db2.gz ZZMKUSHZCPCTEN-UHFFFAOYSA-N 2 2 390.963 3.786 20 0 GHADLP CC[N@@H+](Cc1ncc(Cl)n1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365513006 920888441 /nfs/dbraw/zinc/88/84/41/920888441.db2.gz ZZMKUSHZCPCTEN-UHFFFAOYSA-N 2 2 390.963 3.786 20 0 GHADLP CC(C)Cn1ccc2c1cccc2C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369326689 923279228 /nfs/dbraw/zinc/27/92/28/923279228.db2.gz KAZALBGCFSNOKP-HXUWFJFHSA-N 2 2 396.579 3.538 20 0 GHADLP CC(C)Cn1ccc2c1cccc2C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369326689 923279243 /nfs/dbraw/zinc/27/92/43/923279243.db2.gz KAZALBGCFSNOKP-HXUWFJFHSA-N 2 2 396.579 3.538 20 0 GHADLP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000369950843 923763732 /nfs/dbraw/zinc/76/37/32/923763732.db2.gz JLYCJUHFYZJZNJ-UHFFFAOYSA-N 2 2 399.564 3.688 20 0 GHADLP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H]4CCc5[nH+]c[nH]c5C4)cc3)nc12 ZINC000370730926 924277772 /nfs/dbraw/zinc/27/77/72/924277772.db2.gz RMIJGLUKDXXGPR-GOSISDBHSA-N 2 2 387.487 3.592 20 0 GHADLP CN1C(=O)C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000677246553 924298717 /nfs/dbraw/zinc/29/87/17/924298717.db2.gz SXRJVLKVBMLMLC-TZIWHRDSSA-N 2 2 398.869 3.726 20 0 GHADLP COc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1OCc1cccnc1 ZINC000371070677 924415253 /nfs/dbraw/zinc/41/52/53/924415253.db2.gz WRPZFRPPGPWYDQ-HXUWFJFHSA-N 2 2 392.503 3.841 20 0 GHADLP Cc1nc2ccccc2nc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371158697 924453745 /nfs/dbraw/zinc/45/37/45/924453745.db2.gz VWPBAJSIALMHDG-UHFFFAOYSA-N 3 2 395.595 3.566 20 0 GHADLP Cc1nc2ccccc2nc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371158697 924453748 /nfs/dbraw/zinc/45/37/48/924453748.db2.gz VWPBAJSIALMHDG-UHFFFAOYSA-N 3 2 395.595 3.566 20 0 GHADLP CC1(C)C[C@H]([NH2+]Cc2ccc(CN3CCCC3=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000677805965 924505298 /nfs/dbraw/zinc/50/52/98/924505298.db2.gz RWUMIZDZJXFCPP-QHCPKHFHSA-N 2 2 391.559 3.952 20 0 GHADLP CC1(C)C[C@H]([NH2+]Cc2ccc(CN3CCCC3=O)cc2)C[N@H+]1Cc1ccccc1 ZINC000677805965 924505307 /nfs/dbraw/zinc/50/53/07/924505307.db2.gz RWUMIZDZJXFCPP-QHCPKHFHSA-N 2 2 391.559 3.952 20 0 GHADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000678767451 924915652 /nfs/dbraw/zinc/91/56/52/924915652.db2.gz KEVIXHBWJJPAMA-NTKDMRAZSA-N 2 2 380.532 3.811 20 0 GHADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCC2 ZINC000678925238 924975721 /nfs/dbraw/zinc/97/57/21/924975721.db2.gz YGSXTLPSGOXTCR-QHCPKHFHSA-N 2 2 384.495 3.704 20 0 GHADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc2c(ccc3ccccc23)o1 ZINC000678926917 924975839 /nfs/dbraw/zinc/97/58/39/924975839.db2.gz DBCPSJANDRFWCY-ICSRJNTNSA-N 2 2 393.531 3.643 20 0 GHADLP O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(F)(F)F ZINC000680120737 925371323 /nfs/dbraw/zinc/37/13/23/925371323.db2.gz IXHDBTUXZBSPKR-SJORKVTESA-N 2 2 381.423 3.558 20 0 GHADLP C[C@@H]([NH2+]Cc1cn2cc(Br)ccc2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401282 925468910 /nfs/dbraw/zinc/46/89/10/925468910.db2.gz NJAYXLLNYIHMCZ-HUUCEWRRSA-N 2 2 391.357 3.839 20 0 GHADLP C[C@@H]([NH2+]Cc1cn2cc(Br)ccc2n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401282 925468913 /nfs/dbraw/zinc/46/89/13/925468913.db2.gz NJAYXLLNYIHMCZ-HUUCEWRRSA-N 2 2 391.357 3.839 20 0 GHADLP COc1ccc2oc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)c(C)c2c1 ZINC000680416752 925471605 /nfs/dbraw/zinc/47/16/05/925471605.db2.gz AWODZUBGYMRFPA-MJGOQNOKSA-N 2 2 382.504 3.893 20 0 GHADLP COc1ccc2oc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)c(C)c2c1 ZINC000680416752 925471612 /nfs/dbraw/zinc/47/16/12/925471612.db2.gz AWODZUBGYMRFPA-MJGOQNOKSA-N 2 2 382.504 3.893 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000410282572 925497055 /nfs/dbraw/zinc/49/70/55/925497055.db2.gz OXENCTRMJLMRDO-CTNGQTDRSA-N 2 2 380.536 3.618 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000410282572 925497060 /nfs/dbraw/zinc/49/70/60/925497060.db2.gz OXENCTRMJLMRDO-CTNGQTDRSA-N 2 2 380.536 3.618 20 0 GHADLP O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1)c1ccccc1 ZINC000372557539 925533827 /nfs/dbraw/zinc/53/38/27/925533827.db2.gz NJCZRKYQYPBARN-HXUWFJFHSA-N 2 2 395.551 3.717 20 0 GHADLP O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)c1ccccc1 ZINC000372557539 925533837 /nfs/dbraw/zinc/53/38/37/925533837.db2.gz NJCZRKYQYPBARN-HXUWFJFHSA-N 2 2 395.551 3.717 20 0 GHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000410340230 925551200 /nfs/dbraw/zinc/55/12/00/925551200.db2.gz KJDCUWBGSXKYOQ-UHFFFAOYSA-N 2 2 395.551 3.615 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC000682534778 926155362 /nfs/dbraw/zinc/15/53/62/926155362.db2.gz XYZBTNXGITWZMV-IAGOWNOFSA-N 2 2 395.576 3.790 20 0 GHADLP Cn1cc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(-c2ccccc2)n1 ZINC000373483085 926179089 /nfs/dbraw/zinc/17/90/89/926179089.db2.gz IGFKEBABHINWJL-UHFFFAOYSA-N 2 2 392.469 3.982 20 0 GHADLP Cc1ccc(-c2noc([C@H](C)[NH2+]C3CCN(c4cccc[nH+]4)CC3)n2)cc1F ZINC000682999469 926323090 /nfs/dbraw/zinc/32/30/90/926323090.db2.gz JYDPVWUFQPLKTK-HNNXBMFYSA-N 2 2 381.455 3.899 20 0 GHADLP CS(=O)(=O)C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000411470375 926429494 /nfs/dbraw/zinc/42/94/94/926429494.db2.gz BZFLQVBOYIIGAL-QFIPXVFZSA-N 2 2 386.561 3.548 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000374424021 927125108 /nfs/dbraw/zinc/12/51/08/927125108.db2.gz YCZNGZQSQIIZID-AHRSYUTCSA-N 2 2 375.900 3.679 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000374424021 927125113 /nfs/dbraw/zinc/12/51/13/927125113.db2.gz YCZNGZQSQIIZID-AHRSYUTCSA-N 2 2 375.900 3.679 20 0 GHADLP CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000412208868 927210268 /nfs/dbraw/zinc/21/02/68/927210268.db2.gz FCMRFGVPLHWHHH-KAOXLYBCSA-N 2 2 383.580 3.586 20 0 GHADLP CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000412208868 927210279 /nfs/dbraw/zinc/21/02/79/927210279.db2.gz FCMRFGVPLHWHHH-KAOXLYBCSA-N 2 2 383.580 3.586 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)CCC2 ZINC000374576457 927302397 /nfs/dbraw/zinc/30/23/97/927302397.db2.gz PHZQOFPGBCDSNO-QAPCUYQASA-N 2 2 388.943 3.749 20 0 GHADLP CC[NH+](CC)Cc1csc(NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)n1 ZINC000751891210 928456972 /nfs/dbraw/zinc/45/69/72/928456972.db2.gz WWWSKGUCCQIUNA-UHFFFAOYSA-N 2 2 387.553 3.543 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000469490178 929935527 /nfs/dbraw/zinc/93/55/27/929935527.db2.gz PGRHAIZQNFNMTL-UHFFFAOYSA-N 2 2 396.354 3.886 20 0 GHADLP COc1ccc(C[C@H](C)C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1F ZINC000546308827 930044285 /nfs/dbraw/zinc/04/42/85/930044285.db2.gz UOAAKLPPAIOPCX-SFHVURJKSA-N 2 2 386.511 3.635 20 0 GHADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000469774782 930153652 /nfs/dbraw/zinc/15/36/52/930153652.db2.gz HVBJGCSZUSTWGT-DNVJHFABSA-N 2 2 386.580 3.633 20 0 GHADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000469774782 930153655 /nfs/dbraw/zinc/15/36/55/930153655.db2.gz HVBJGCSZUSTWGT-DNVJHFABSA-N 2 2 386.580 3.633 20 0 GHADLP CC(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000469780935 930157666 /nfs/dbraw/zinc/15/76/66/930157666.db2.gz RCMXJLIZLHCXRT-QGZVFWFLSA-N 2 2 383.517 3.905 20 0 GHADLP C/C(=C/c1ccc(Cl)cc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000759185633 930302500 /nfs/dbraw/zinc/30/25/00/930302500.db2.gz ZWEWNJSSHCVFQD-VLGSPTGOSA-N 2 2 389.971 3.810 20 0 GHADLP C[C@@H]1CCN(C(=O)NCCCCCCC[NH+]2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000759583133 930412434 /nfs/dbraw/zinc/41/24/34/930412434.db2.gz HRIOIWHMPCVFIT-WOJBJXKFSA-N 2 2 375.561 3.522 20 0 GHADLP C[C@H](CCC1CC1)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000470337394 930540472 /nfs/dbraw/zinc/54/04/72/930540472.db2.gz LISIEQZDZFEZJA-JRGCBEDISA-N 2 2 378.605 3.544 20 0 GHADLP C[C@H](CCC1CC1)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000470337394 930540480 /nfs/dbraw/zinc/54/04/80/930540480.db2.gz LISIEQZDZFEZJA-JRGCBEDISA-N 2 2 378.605 3.544 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000547326769 930920353 /nfs/dbraw/zinc/92/03/53/930920353.db2.gz UBOGRPVIIGOFFL-HSZRJFAPSA-N 2 2 384.495 3.922 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC([NH2+]CCc3cn4c([nH+]3)CCCC4)C2)CC1 ZINC000924645720 931460610 /nfs/dbraw/zinc/46/06/10/931460610.db2.gz MFZHWANUBZDWFA-UHFFFAOYSA-N 2 2 388.556 3.531 20 0 GHADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1cccnc1)c1ccc(Cl)cc1Cl ZINC000924992604 931605292 /nfs/dbraw/zinc/60/52/92/931605292.db2.gz MNNXEMXRJUIHCS-QRWLVFNGSA-N 2 2 393.362 3.703 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)c1cnnn1C ZINC000925089599 931641351 /nfs/dbraw/zinc/64/13/51/931641351.db2.gz KNRMKTOZLFNJPF-JOQOYGCGSA-N 2 2 381.446 3.568 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)c1cnnn1C ZINC000925089599 931641360 /nfs/dbraw/zinc/64/13/60/931641360.db2.gz KNRMKTOZLFNJPF-JOQOYGCGSA-N 2 2 381.446 3.568 20 0 GHADLP COc1cc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(F)cn1 ZINC000558241776 931900198 /nfs/dbraw/zinc/90/01/98/931900198.db2.gz VBVOMILQVJJWGM-GJZGRUSLSA-N 2 2 390.478 3.532 20 0 GHADLP c1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2C[NH2+]CC4(CCOCC4)C2)CCC3)cc1 ZINC000925794638 931905742 /nfs/dbraw/zinc/90/57/42/931905742.db2.gz HPNLNQZXEPLWFQ-ZWKOTPCHSA-N 2 2 383.561 3.936 20 0 GHADLP COC[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(Cl)c1F ZINC000558266704 931912025 /nfs/dbraw/zinc/91/20/25/931912025.db2.gz BQQHFFUJEJXNED-MAUKXSAKSA-N 2 2 392.906 3.814 20 0 GHADLP CC(C)(O)C[N@@H+]1CCc2c(cccc2NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000784634501 931964504 /nfs/dbraw/zinc/96/45/04/931964504.db2.gz SNKVHDFRKSWJCJ-UHFFFAOYSA-N 2 2 376.504 3.613 20 0 GHADLP CC(C)(O)C[N@H+]1CCc2c(cccc2NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000784634501 931964510 /nfs/dbraw/zinc/96/45/10/931964510.db2.gz SNKVHDFRKSWJCJ-UHFFFAOYSA-N 2 2 376.504 3.613 20 0 GHADLP [NH3+]Cc1cc(NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc(C(F)(F)F)c1 ZINC000926159918 932066758 /nfs/dbraw/zinc/06/67/58/932066758.db2.gz BOYKPYKTFJVOAO-UHFFFAOYSA-N 2 2 393.413 3.668 20 0 GHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1)[NH+](C)C ZINC000558572009 932080261 /nfs/dbraw/zinc/08/02/61/932080261.db2.gz QWLWCCOGOPHYAS-CYFREDJKSA-N 2 2 390.531 3.590 20 0 GHADLP CN(C(=O)C[C@@H]1CCC(F)(F)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000797958375 932472203 /nfs/dbraw/zinc/47/22/03/932472203.db2.gz XDFAFEGFOQVIGX-UHOSZYNNSA-N 2 2 385.543 3.608 20 0 GHADLP CN(C(=O)C[C@@H]1CCC(F)(F)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000797958375 932472208 /nfs/dbraw/zinc/47/22/08/932472208.db2.gz XDFAFEGFOQVIGX-UHOSZYNNSA-N 2 2 385.543 3.608 20 0 GHADLP Cc1ccc(C[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)c2ccccc12 ZINC001138015439 935928973 /nfs/dbraw/zinc/92/89/73/935928973.db2.gz GBQJVQCQZVXGCC-UHFFFAOYSA-N 2 2 389.547 3.784 20 0 GHADLP Cc1ccc(C[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)c2ccccc12 ZINC001138015439 935928975 /nfs/dbraw/zinc/92/89/75/935928975.db2.gz GBQJVQCQZVXGCC-UHFFFAOYSA-N 2 2 389.547 3.784 20 0 GHADLP CCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220768937 1032108810 /nfs/dbraw/zinc/10/88/10/1032108810.db2.gz FICCZIVFTOXGDJ-CTNGQTDRSA-N 2 2 378.520 3.658 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CCC2(CCCCC2)CC1 ZINC000468867236 1016138202 /nfs/dbraw/zinc/13/82/02/1016138202.db2.gz GDBYFXOZZKXHMU-UHFFFAOYSA-N 2 2 378.605 3.547 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CCC2(CCCCC2)CC1 ZINC000468867236 1016138206 /nfs/dbraw/zinc/13/82/06/1016138206.db2.gz GDBYFXOZZKXHMU-UHFFFAOYSA-N 2 2 378.605 3.547 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000469765839 1016618018 /nfs/dbraw/zinc/61/80/18/1016618018.db2.gz CDYZEFKGULLXGE-VKJFTORMSA-N 2 2 399.938 3.533 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000469765839 1016618027 /nfs/dbraw/zinc/61/80/27/1016618027.db2.gz CDYZEFKGULLXGE-VKJFTORMSA-N 2 2 399.938 3.533 20 0 GHADLP Clc1ccc(C[NH+]2CCCC2)c(N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)n1 ZINC001155096388 1032413900 /nfs/dbraw/zinc/41/39/00/1032413900.db2.gz RRIZNBZOSSTXSU-FQEVSTJZSA-N 2 2 382.939 3.750 20 0 GHADLP Clc1ccc(C[NH+]2CCCC2)c(N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)n1 ZINC001155096388 1032413908 /nfs/dbraw/zinc/41/39/08/1032413908.db2.gz RRIZNBZOSSTXSU-FQEVSTJZSA-N 2 2 382.939 3.750 20 0 GHADLP Clc1ccc2[nH]c3nc[nH+]c(NCC[C@H]4C[NH2+]Cc5cccn5C4)c3c2c1 ZINC001155457998 1032550815 /nfs/dbraw/zinc/55/08/15/1032550815.db2.gz DHAMKTAHEBOAMS-ZDUSSCGKSA-N 2 2 380.883 3.788 20 0 GHADLP COc1ccc2c(c1)[nH+]c(NC[C@H]1OC[C@H]3C[NH2+]CC[C@H]31)cc2-c1ccccc1 ZINC001155525613 1032570068 /nfs/dbraw/zinc/57/00/68/1032570068.db2.gz NPKUOKGMDUYDMK-LYHRCORUSA-N 2 2 389.499 3.947 20 0 GHADLP Cc1c[nH+]c(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)nc1NC1CC1 ZINC001155629621 1032607758 /nfs/dbraw/zinc/60/77/58/1032607758.db2.gz IHHHWEIWKPDNAB-UYWIDEMCSA-N 2 2 379.552 3.759 20 0 GHADLP Cc1c[nH+]c(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)nc1NC1CC1 ZINC001155629621 1032607765 /nfs/dbraw/zinc/60/77/65/1032607765.db2.gz IHHHWEIWKPDNAB-UYWIDEMCSA-N 2 2 379.552 3.759 20 0 GHADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1ccc(C(C)C)cc1)CCC2 ZINC001204165649 1032618077 /nfs/dbraw/zinc/61/80/77/1032618077.db2.gz DQYFGCGGVCNVBH-UHFFFAOYSA-N 2 2 382.552 3.614 20 0 GHADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](Cc1ccc(C(C)C)cc1)CCC2 ZINC001204165649 1032618089 /nfs/dbraw/zinc/61/80/89/1032618089.db2.gz DQYFGCGGVCNVBH-UHFFFAOYSA-N 2 2 382.552 3.614 20 0 GHADLP Fc1cccc(F)c1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001204199902 1032652079 /nfs/dbraw/zinc/65/20/79/1032652079.db2.gz DGLAXWBJENXXEE-UHFFFAOYSA-N 2 2 378.488 3.893 20 0 GHADLP Fc1cccc(F)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001204199902 1032652087 /nfs/dbraw/zinc/65/20/87/1032652087.db2.gz DGLAXWBJENXXEE-UHFFFAOYSA-N 2 2 378.488 3.893 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC001204225500 1032673244 /nfs/dbraw/zinc/67/32/44/1032673244.db2.gz YNJLNCLQGUKODU-QGZVFWFLSA-N 2 2 376.447 3.813 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC001204225500 1032673255 /nfs/dbraw/zinc/67/32/55/1032673255.db2.gz YNJLNCLQGUKODU-QGZVFWFLSA-N 2 2 376.447 3.813 20 0 GHADLP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n(C)n1 ZINC000926329351 1017250966 /nfs/dbraw/zinc/25/09/66/1017250966.db2.gz DHVXIVJBBILKNO-DNEKHIABSA-N 2 2 398.517 3.835 20 0 GHADLP Fc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1Cl ZINC001204282353 1032724622 /nfs/dbraw/zinc/72/46/22/1032724622.db2.gz FNFRQOPLSJJCPQ-UHFFFAOYSA-N 2 2 376.907 3.720 20 0 GHADLP Fc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1Cl ZINC001204282353 1032724609 /nfs/dbraw/zinc/72/46/09/1032724609.db2.gz FNFRQOPLSJJCPQ-UHFFFAOYSA-N 2 2 376.907 3.720 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC001204289041 1032729265 /nfs/dbraw/zinc/72/92/65/1032729265.db2.gz YFHCRHDRSPVMIB-VQIMIIECSA-N 2 2 396.453 3.941 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC001204289041 1032729275 /nfs/dbraw/zinc/72/92/75/1032729275.db2.gz YFHCRHDRSPVMIB-VQIMIIECSA-N 2 2 396.453 3.941 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC001204289041 1032729291 /nfs/dbraw/zinc/72/92/91/1032729291.db2.gz YFHCRHDRSPVMIB-VQIMIIECSA-N 2 2 396.453 3.941 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC001204289041 1032729299 /nfs/dbraw/zinc/72/92/99/1032729299.db2.gz YFHCRHDRSPVMIB-VQIMIIECSA-N 2 2 396.453 3.941 20 0 GHADLP COc1ccccc1/C=C\C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000567428656 1019293811 /nfs/dbraw/zinc/29/38/11/1019293811.db2.gz LSMWVCHZTHIAKS-XOOBZCTMSA-N 2 2 391.559 3.601 20 0 GHADLP COc1ccccc1/C=C\C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000567428656 1019293814 /nfs/dbraw/zinc/29/38/14/1019293814.db2.gz LSMWVCHZTHIAKS-XOOBZCTMSA-N 2 2 391.559 3.601 20 0 GHADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000568195216 1019381852 /nfs/dbraw/zinc/38/18/52/1019381852.db2.gz XHQLJOYYSTYRBU-IBGZPJMESA-N 2 2 381.524 3.834 20 0 GHADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000568195216 1019381865 /nfs/dbraw/zinc/38/18/65/1019381865.db2.gz XHQLJOYYSTYRBU-IBGZPJMESA-N 2 2 381.524 3.834 20 0 GHADLP COc1cc2ccc(NCc3cccnc3C3CC[NH2+]CC3)[nH+]c2cc1OC ZINC001155999472 1032832948 /nfs/dbraw/zinc/83/29/48/1032832948.db2.gz DMEDCOSHPYAPCJ-UHFFFAOYSA-N 2 2 378.476 3.726 20 0 GHADLP Cc1[nH+]cn(-c2ccc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)cc2)c1C ZINC000576604776 1020041640 /nfs/dbraw/zinc/04/16/40/1020041640.db2.gz LMXMHYWHNVWEPV-FQEVSTJZSA-N 2 2 384.549 3.645 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000600960333 1020285978 /nfs/dbraw/zinc/28/59/78/1020285978.db2.gz VNWQAXQXRMCCMG-WOUAJJJCSA-N 2 2 377.960 3.807 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000600960333 1020285988 /nfs/dbraw/zinc/28/59/88/1020285988.db2.gz VNWQAXQXRMCCMG-WOUAJJJCSA-N 2 2 377.960 3.807 20 0 GHADLP COc1ccc(Br)cc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000642197582 1021087035 /nfs/dbraw/zinc/08/70/35/1021087035.db2.gz HUVUBULKAUGSSV-UHFFFAOYSA-N 2 2 389.337 3.996 20 0 GHADLP COc1ccc(Br)cc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000642197582 1021087041 /nfs/dbraw/zinc/08/70/41/1021087041.db2.gz HUVUBULKAUGSSV-UHFFFAOYSA-N 2 2 389.337 3.996 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1nc(Br)cs1 ZINC000834733377 1021419666 /nfs/dbraw/zinc/41/96/66/1021419666.db2.gz GTDMQOOHRTVDMT-AAEUAGOBSA-N 2 2 396.358 3.614 20 0 GHADLP O=C(OCC1CC[NH+](Cc2ccco2)CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835243579 1021981922 /nfs/dbraw/zinc/98/19/22/1021981922.db2.gz ANFNVYAYARHAPJ-UHFFFAOYSA-N 2 2 379.460 3.593 20 0 GHADLP COc1cccc(Cl)c1C[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001140734057 1022389591 /nfs/dbraw/zinc/38/95/91/1022389591.db2.gz MZUKPEKXOKIXCD-UHFFFAOYSA-N 2 2 387.911 3.615 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(O)c(F)c1F)CC2 ZINC001140888523 1022804437 /nfs/dbraw/zinc/80/44/37/1022804437.db2.gz GNKLGVKETHERNX-MRXNPFEDSA-N 2 2 392.446 3.519 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(O)c(F)c1F)CC2 ZINC001140888523 1022804458 /nfs/dbraw/zinc/80/44/58/1022804458.db2.gz GNKLGVKETHERNX-MRXNPFEDSA-N 2 2 392.446 3.519 20 0 GHADLP C[C@H]1CN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001140896734 1022825959 /nfs/dbraw/zinc/82/59/59/1022825959.db2.gz YTOZWIXBVZUYNN-GCJKJVERSA-N 2 2 399.966 3.923 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141043618 1023373551 /nfs/dbraw/zinc/37/35/51/1023373551.db2.gz DZUKBZOSFHKTDY-QFIPXVFZSA-N 3 2 390.531 3.590 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141043618 1023373558 /nfs/dbraw/zinc/37/35/58/1023373558.db2.gz DZUKBZOSFHKTDY-QFIPXVFZSA-N 3 2 390.531 3.590 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141043617 1023373805 /nfs/dbraw/zinc/37/38/05/1023373805.db2.gz DZUKBZOSFHKTDY-JOCHJYFZSA-N 3 2 390.531 3.590 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141043617 1023373815 /nfs/dbraw/zinc/37/38/15/1023373815.db2.gz DZUKBZOSFHKTDY-JOCHJYFZSA-N 3 2 390.531 3.590 20 0 GHADLP C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000755865589 1023406699 /nfs/dbraw/zinc/40/66/99/1023406699.db2.gz AHUHALMJRBHMHM-WIYYLYMNSA-N 2 2 375.472 3.940 20 0 GHADLP C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000755865589 1023406705 /nfs/dbraw/zinc/40/67/05/1023406705.db2.gz AHUHALMJRBHMHM-WIYYLYMNSA-N 2 2 375.472 3.940 20 0 GHADLP CCCCc1[nH]c(C[NH+]2CCC3(CCOC[C@@H]3COc3ccccn3)CC2)c[nH+]1 ZINC001141070867 1023424105 /nfs/dbraw/zinc/42/41/05/1023424105.db2.gz RPCWSKLDIMNTKK-LJQANCHMSA-N 2 2 398.551 3.845 20 0 GHADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2OCc2ccccc2)C1 ZINC001205009109 1033205194 /nfs/dbraw/zinc/20/51/94/1033205194.db2.gz HNAOQQJPNPHLKS-IBGZPJMESA-N 2 2 384.520 3.714 20 0 GHADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2OCc2ccccc2)C1 ZINC001205009109 1033205204 /nfs/dbraw/zinc/20/52/04/1033205204.db2.gz HNAOQQJPNPHLKS-IBGZPJMESA-N 2 2 384.520 3.714 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccccc2I)C1 ZINC001138213968 1024377384 /nfs/dbraw/zinc/37/73/84/1024377384.db2.gz KBFOOCIAOYRXRJ-HNNXBMFYSA-N 2 2 394.256 3.648 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccccc2I)C1 ZINC001138213968 1024377402 /nfs/dbraw/zinc/37/74/02/1024377402.db2.gz KBFOOCIAOYRXRJ-HNNXBMFYSA-N 2 2 394.256 3.648 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1Br ZINC001138297591 1024581013 /nfs/dbraw/zinc/58/10/13/1024581013.db2.gz IPVSLAJWEDVRFA-OAHLLOKOSA-N 2 2 377.282 3.814 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1Br ZINC001138297591 1024581025 /nfs/dbraw/zinc/58/10/25/1024581025.db2.gz IPVSLAJWEDVRFA-OAHLLOKOSA-N 2 2 377.282 3.814 20 0 GHADLP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)c(C)s1 ZINC001138566941 1025037852 /nfs/dbraw/zinc/03/78/52/1025037852.db2.gz YFMPCGKLZWHISX-YLJYHZDGSA-N 2 2 391.606 3.853 20 0 GHADLP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)c(C)s1 ZINC001138566941 1025037864 /nfs/dbraw/zinc/03/78/64/1025037864.db2.gz YFMPCGKLZWHISX-YLJYHZDGSA-N 2 2 391.606 3.853 20 0 GHADLP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4csc(C)n4)CCO[C@@H]3C2)c(C)s1 ZINC001138566941 1025037880 /nfs/dbraw/zinc/03/78/80/1025037880.db2.gz YFMPCGKLZWHISX-YLJYHZDGSA-N 2 2 391.606 3.853 20 0 GHADLP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4csc(C)n4)CCO[C@@H]3C2)c(C)s1 ZINC001138566941 1025037892 /nfs/dbraw/zinc/03/78/92/1025037892.db2.gz YFMPCGKLZWHISX-YLJYHZDGSA-N 2 2 391.606 3.853 20 0 GHADLP Cc1ccc2cc(C[NH+]3CCC4(CCC[N@H+]4Cc4ccn(C)n4)CC3)ccc2n1 ZINC001141478520 1025185063 /nfs/dbraw/zinc/18/50/63/1025185063.db2.gz DNSWKWWFQAQULY-UHFFFAOYSA-N 2 2 389.547 3.907 20 0 GHADLP Cc1ccc2cc(C[NH+]3CCC4(CCC[N@@H+]4Cc4ccn(C)n4)CC3)ccc2n1 ZINC001141478520 1025185069 /nfs/dbraw/zinc/18/50/69/1025185069.db2.gz DNSWKWWFQAQULY-UHFFFAOYSA-N 2 2 389.547 3.907 20 0 GHADLP CC(C)(C)OC(=O)NCC1(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000839075301 1025571635 /nfs/dbraw/zinc/57/16/35/1025571635.db2.gz UJOXBVKNARSPNL-QGZVFWFLSA-N 2 2 388.556 3.704 20 0 GHADLP CC(C)(C)OC(=O)NCC1(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000839075301 1025571661 /nfs/dbraw/zinc/57/16/61/1025571661.db2.gz UJOXBVKNARSPNL-QGZVFWFLSA-N 2 2 388.556 3.704 20 0 GHADLP Cn1c2ccccc2c2cc(C[NH+]3CCN(CC4CC[NH+](C)CC4)CC3)ccc21 ZINC001138919948 1025585785 /nfs/dbraw/zinc/58/57/85/1025585785.db2.gz JTZOTDHAXJTALE-UHFFFAOYSA-N 2 2 390.575 3.791 20 0 GHADLP Clc1c2cc[nH]c2ncc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001138931418 1025602136 /nfs/dbraw/zinc/60/21/36/1025602136.db2.gz BDOLCAFDCGVTSA-AEFFLSMTSA-N 2 2 381.911 3.517 20 0 GHADLP Clc1c2cc[nH]c2ncc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001138931418 1025602144 /nfs/dbraw/zinc/60/21/44/1025602144.db2.gz BDOLCAFDCGVTSA-AEFFLSMTSA-N 2 2 381.911 3.517 20 0 GHADLP Clc1c2cc[nH]c2ncc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001138931418 1025602156 /nfs/dbraw/zinc/60/21/56/1025602156.db2.gz BDOLCAFDCGVTSA-AEFFLSMTSA-N 2 2 381.911 3.517 20 0 GHADLP Clc1c2cc[nH]c2ncc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001138931418 1025602163 /nfs/dbraw/zinc/60/21/63/1025602163.db2.gz BDOLCAFDCGVTSA-AEFFLSMTSA-N 2 2 381.911 3.517 20 0 GHADLP COc1cccc(C[C@@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC001139059391 1025850265 /nfs/dbraw/zinc/85/02/65/1025850265.db2.gz AKRSYAIHGUHETL-DEOSSOPVSA-N 2 2 394.559 3.982 20 0 GHADLP COc1cccc(C[C@@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC001139059391 1025850286 /nfs/dbraw/zinc/85/02/86/1025850286.db2.gz AKRSYAIHGUHETL-DEOSSOPVSA-N 2 2 394.559 3.982 20 0 GHADLP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000839461998 1025951282 /nfs/dbraw/zinc/95/12/82/1025951282.db2.gz AWKVSPQMIGKARZ-UHFFFAOYSA-N 2 2 376.504 3.953 20 0 GHADLP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000839461998 1025951283 /nfs/dbraw/zinc/95/12/83/1025951283.db2.gz AWKVSPQMIGKARZ-UHFFFAOYSA-N 2 2 376.504 3.953 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CCC4(CCOC[C@@H]4COCC4CC4)CC3)cc2)c[nH+]1 ZINC001139358171 1026230861 /nfs/dbraw/zinc/23/08/61/1026230861.db2.gz IXTVHCFCFSMUJA-JOCHJYFZSA-N 2 2 395.547 3.918 20 0 GHADLP O=C1N(c2ccsc2)CC[C@]12CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139359545 1026232985 /nfs/dbraw/zinc/23/29/85/1026232985.db2.gz FPIDQVUDUAIFRN-QFIPXVFZSA-N 2 2 392.528 3.953 20 0 GHADLP O=C1N(c2ccsc2)CC[C@]12CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139359545 1026232997 /nfs/dbraw/zinc/23/29/97/1026232997.db2.gz FPIDQVUDUAIFRN-QFIPXVFZSA-N 2 2 392.528 3.953 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC001139513737 1026369888 /nfs/dbraw/zinc/36/98/88/1026369888.db2.gz ZGCQXWQTOPLZJT-UHFFFAOYSA-N 2 2 391.559 3.810 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC001139513737 1026369898 /nfs/dbraw/zinc/36/98/98/1026369898.db2.gz ZGCQXWQTOPLZJT-UHFFFAOYSA-N 2 2 391.559 3.810 20 0 GHADLP C[NH+](C)C1(CNc2ccc(-c3ccc(C(F)(F)F)cc3)nn2)CC[NH+](C)CC1 ZINC001164210542 1026453476 /nfs/dbraw/zinc/45/34/76/1026453476.db2.gz FHTMZLRPPYUZIZ-UHFFFAOYSA-N 2 2 393.457 3.600 20 0 GHADLP CCOc1ccc(C)cc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001139603906 1026467453 /nfs/dbraw/zinc/46/74/53/1026467453.db2.gz UMUSZGQBYUXSLX-PUHATCMVSA-N 2 2 396.579 3.964 20 0 GHADLP CCOc1ccc(C)cc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001139603906 1026467460 /nfs/dbraw/zinc/46/74/60/1026467460.db2.gz UMUSZGQBYUXSLX-PUHATCMVSA-N 2 2 396.579 3.964 20 0 GHADLP CCOc1ccc(C)cc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001139603906 1026467471 /nfs/dbraw/zinc/46/74/71/1026467471.db2.gz UMUSZGQBYUXSLX-PUHATCMVSA-N 2 2 396.579 3.964 20 0 GHADLP CCOc1ccc(C)cc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001139603906 1026467478 /nfs/dbraw/zinc/46/74/78/1026467478.db2.gz UMUSZGQBYUXSLX-PUHATCMVSA-N 2 2 396.579 3.964 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)ccc1Cl ZINC001139613490 1026476384 /nfs/dbraw/zinc/47/63/84/1026476384.db2.gz VWOFMGFHNPGQHB-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)ccc1Cl ZINC001139613490 1026476389 /nfs/dbraw/zinc/47/63/89/1026476389.db2.gz VWOFMGFHNPGQHB-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)ccc1Cl ZINC001139613490 1026476394 /nfs/dbraw/zinc/47/63/94/1026476394.db2.gz VWOFMGFHNPGQHB-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)ccc1Cl ZINC001139613490 1026476404 /nfs/dbraw/zinc/47/64/04/1026476404.db2.gz VWOFMGFHNPGQHB-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cnc3cccnc3c1)C2 ZINC001139741297 1026581539 /nfs/dbraw/zinc/58/15/39/1026581539.db2.gz JTSGYUUAGSCISS-UHFFFAOYSA-N 2 2 399.498 3.808 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cnc3cccnc3c1)C2 ZINC001139741297 1026581541 /nfs/dbraw/zinc/58/15/41/1026581541.db2.gz JTSGYUUAGSCISS-UHFFFAOYSA-N 2 2 399.498 3.808 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1cnc3cccnc3c1)C2 ZINC001139741297 1026581549 /nfs/dbraw/zinc/58/15/49/1026581549.db2.gz JTSGYUUAGSCISS-UHFFFAOYSA-N 2 2 399.498 3.808 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1cnc3cccnc3c1)C2 ZINC001139741297 1026581554 /nfs/dbraw/zinc/58/15/54/1026581554.db2.gz JTSGYUUAGSCISS-UHFFFAOYSA-N 2 2 399.498 3.808 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2c[nH]c3ncnc(Cl)c23)Cc2ccc(F)cc2)CC1 ZINC001139944241 1026749768 /nfs/dbraw/zinc/74/97/68/1026749768.db2.gz XOTQKJZEWWARIT-UHFFFAOYSA-N 2 2 387.890 3.798 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2c[nH]c3ncnc(Cl)c23)Cc2ccc(F)cc2)CC1 ZINC001139944241 1026749778 /nfs/dbraw/zinc/74/97/78/1026749778.db2.gz XOTQKJZEWWARIT-UHFFFAOYSA-N 2 2 387.890 3.798 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H]2O[C@@H](COCC(C)C)CC[C@H]21 ZINC001140025645 1026813009 /nfs/dbraw/zinc/81/30/09/1026813009.db2.gz QZASOILVRZTOAU-YMPZKCBVSA-N 2 2 383.536 3.975 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H]2O[C@@H](COCC(C)C)CC[C@H]21 ZINC001140025645 1026813016 /nfs/dbraw/zinc/81/30/16/1026813016.db2.gz QZASOILVRZTOAU-YMPZKCBVSA-N 2 2 383.536 3.975 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001140025506 1026813901 /nfs/dbraw/zinc/81/39/01/1026813901.db2.gz BZOSUIBBGMDGEH-QFBILLFUSA-N 2 2 384.524 3.916 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC001166160307 1026931601 /nfs/dbraw/zinc/93/16/01/1026931601.db2.gz OZTKMVVAVVDSIU-UHFFFAOYSA-N 2 2 385.552 3.857 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC001166160307 1026931606 /nfs/dbraw/zinc/93/16/06/1026931606.db2.gz OZTKMVVAVVDSIU-UHFFFAOYSA-N 2 2 385.552 3.857 20 0 GHADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001211061036 1027772411 /nfs/dbraw/zinc/77/24/11/1027772411.db2.gz OSWCSXWJRRIWIB-CRAIPNDOSA-N 2 2 398.954 3.644 20 0 GHADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001211061036 1027772428 /nfs/dbraw/zinc/77/24/28/1027772428.db2.gz OSWCSXWJRRIWIB-CRAIPNDOSA-N 2 2 398.954 3.644 20 0 GHADLP CC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001461286095 1069481536 /nfs/dbraw/zinc/48/15/36/1069481536.db2.gz NEQXXXIVBKCCPJ-FGZHOGPDSA-N 2 2 396.560 3.703 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(F)cc3Br)[nH+]c2)C1 ZINC001461353639 1069514947 /nfs/dbraw/zinc/51/49/47/1069514947.db2.gz FSLOCMRLSSAFDP-MRXNPFEDSA-N 2 2 393.304 3.736 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3csc(Br)c3)[nH+]c2)C1 ZINC001461356750 1069516451 /nfs/dbraw/zinc/51/64/51/1069516451.db2.gz KZVCQBKLZGNQHD-AWEZNQCLSA-N 2 2 381.343 3.658 20 0 GHADLP CC(C)(C)OCc1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)no1 ZINC001461440614 1069551272 /nfs/dbraw/zinc/55/12/72/1069551272.db2.gz JVFFBOQPGMDXSD-UHFFFAOYSA-N 2 2 387.524 3.754 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)o1 ZINC001142621609 1029166661 /nfs/dbraw/zinc/16/66/61/1029166661.db2.gz PVSGTVYNNCXZRM-IPELMVKDSA-N 2 2 388.533 3.860 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)o1 ZINC001142621609 1029166663 /nfs/dbraw/zinc/16/66/63/1029166663.db2.gz PVSGTVYNNCXZRM-IPELMVKDSA-N 2 2 388.533 3.860 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)o1 ZINC001142621609 1029166668 /nfs/dbraw/zinc/16/66/68/1029166668.db2.gz PVSGTVYNNCXZRM-IPELMVKDSA-N 2 2 388.533 3.860 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)o1 ZINC001142621609 1029166672 /nfs/dbraw/zinc/16/66/72/1029166672.db2.gz PVSGTVYNNCXZRM-IPELMVKDSA-N 2 2 388.533 3.860 20 0 GHADLP Cn1c2ccc(F)cc2nc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842683310 1029489674 /nfs/dbraw/zinc/48/96/74/1029489674.db2.gz JXDBSUKDFAYESR-LJQANCHMSA-N 2 2 378.495 3.999 20 0 GHADLP Cn1c2ccc(F)cc2nc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842683310 1029489685 /nfs/dbraw/zinc/48/96/85/1029489685.db2.gz JXDBSUKDFAYESR-LJQANCHMSA-N 2 2 378.495 3.999 20 0 GHADLP Clc1cc(C[NH2+]C[C@@H]2COc3ccccc32)ccc1OCCn1cc[nH+]c1 ZINC001461556380 1069607588 /nfs/dbraw/zinc/60/75/88/1069607588.db2.gz YBTYWBVVRHPQNQ-QGZVFWFLSA-N 2 2 383.879 3.881 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143020884 1029787884 /nfs/dbraw/zinc/78/78/84/1029787884.db2.gz FFHPUIZFWIRFFS-QFIPXVFZSA-N 3 2 390.531 3.590 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143020884 1029787891 /nfs/dbraw/zinc/78/78/91/1029787891.db2.gz FFHPUIZFWIRFFS-QFIPXVFZSA-N 3 2 390.531 3.590 20 0 GHADLP CC[C@H]([NH3+])c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000843209042 1029852338 /nfs/dbraw/zinc/85/23/38/1029852338.db2.gz XIQRKKTUQMSJPI-FQEVSTJZSA-N 2 2 378.476 3.646 20 0 GHADLP Brc1ccc2nc(C[N@@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cn2c1 ZINC001222167280 1029984654 /nfs/dbraw/zinc/98/46/54/1029984654.db2.gz JUYOFTTUXJVEMO-IBGZPJMESA-N 2 2 391.357 3.843 20 0 GHADLP Brc1ccc2nc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cn2c1 ZINC001222167280 1029984662 /nfs/dbraw/zinc/98/46/62/1029984662.db2.gz JUYOFTTUXJVEMO-IBGZPJMESA-N 2 2 391.357 3.843 20 0 GHADLP COc1cc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc(C(F)(F)F)c1 ZINC001222609496 1030233132 /nfs/dbraw/zinc/23/31/32/1030233132.db2.gz PEHPTFFSWVBBLO-LJQANCHMSA-N 2 2 376.422 3.903 20 0 GHADLP COc1cc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc(C(F)(F)F)c1 ZINC001222609496 1030233147 /nfs/dbraw/zinc/23/31/47/1030233147.db2.gz PEHPTFFSWVBBLO-LJQANCHMSA-N 2 2 376.422 3.903 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001150139313 1030422976 /nfs/dbraw/zinc/42/29/76/1030422976.db2.gz CVYCBTBAWGKQKU-AUSIDOKSSA-N 2 2 388.515 3.572 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001150139313 1030422986 /nfs/dbraw/zinc/42/29/86/1030422986.db2.gz CVYCBTBAWGKQKU-AUSIDOKSSA-N 2 2 388.515 3.572 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001150139314 1030423072 /nfs/dbraw/zinc/42/30/72/1030423072.db2.gz CVYCBTBAWGKQKU-CVDCTZTESA-N 2 2 388.515 3.572 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001150139314 1030423079 /nfs/dbraw/zinc/42/30/79/1030423079.db2.gz CVYCBTBAWGKQKU-CVDCTZTESA-N 2 2 388.515 3.572 20 0 GHADLP CNc1[nH]c2cc(-c3nc(-c4ncccc4C=C[NH+]4CCCC4)no3)ccc2[nH+]1 ZINC001217627477 1030547841 /nfs/dbraw/zinc/54/78/41/1030547841.db2.gz TUQLJKOFZFIRRL-XYOKQWHBSA-N 2 2 387.447 3.783 20 0 GHADLP C[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001223748410 1030737244 /nfs/dbraw/zinc/73/72/44/1030737244.db2.gz MHVINAVCMUSRPK-GUDVDZBRSA-N 2 2 391.519 3.527 20 0 GHADLP C[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001223748410 1030737256 /nfs/dbraw/zinc/73/72/56/1030737256.db2.gz MHVINAVCMUSRPK-GUDVDZBRSA-N 2 2 391.519 3.527 20 0 GHADLP Cc1nc(C[N@@H+]2CCCC23CCN(C(=O)c2c[nH]c4cc[nH+]cc42)CC3)cs1 ZINC001152972604 1031413398 /nfs/dbraw/zinc/41/33/98/1031413398.db2.gz UYLVGGBPUBUNFE-UHFFFAOYSA-N 2 2 395.532 3.599 20 0 GHADLP Cc1nc(C[N@H+]2CCCC23CCN(C(=O)c2c[nH]c4cc[nH+]cc42)CC3)cs1 ZINC001152972604 1031413404 /nfs/dbraw/zinc/41/34/04/1031413404.db2.gz UYLVGGBPUBUNFE-UHFFFAOYSA-N 2 2 395.532 3.599 20 0 GHADLP C[C@@H]1[C@H](NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001220195352 1031831595 /nfs/dbraw/zinc/83/15/95/1031831595.db2.gz YOSUGXIRHLCXTR-WIYYLYMNSA-N 2 2 393.535 3.856 20 0 GHADLP C[C@@H]1[C@H](NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001220195352 1031831609 /nfs/dbraw/zinc/83/16/09/1031831609.db2.gz YOSUGXIRHLCXTR-WIYYLYMNSA-N 2 2 393.535 3.856 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001154161914 1031959643 /nfs/dbraw/zinc/95/96/43/1031959643.db2.gz SSIYYGDUJIBFMI-PZJWPPBQSA-N 2 2 375.532 3.541 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001154161914 1031959650 /nfs/dbraw/zinc/95/96/50/1031959650.db2.gz SSIYYGDUJIBFMI-PZJWPPBQSA-N 2 2 375.532 3.541 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)cc1F ZINC001205227961 1033316773 /nfs/dbraw/zinc/31/67/73/1033316773.db2.gz QBUAJQGVYLHQJY-GIWBLDEGSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)cc1F ZINC001205227961 1033316784 /nfs/dbraw/zinc/31/67/84/1033316784.db2.gz QBUAJQGVYLHQJY-GIWBLDEGSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)cc1F ZINC001205227961 1033316796 /nfs/dbraw/zinc/31/67/96/1033316796.db2.gz QBUAJQGVYLHQJY-GIWBLDEGSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)cc1F ZINC001205227961 1033316811 /nfs/dbraw/zinc/31/68/11/1033316811.db2.gz QBUAJQGVYLHQJY-GIWBLDEGSA-N 2 2 382.527 3.706 20 0 GHADLP COc1c[nH+]c(N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)nc1NC(C)C ZINC001157058980 1033392528 /nfs/dbraw/zinc/39/25/28/1033392528.db2.gz DFRIGDQNCVANIU-UHFFFAOYSA-N 2 2 387.503 3.545 20 0 GHADLP COc1c[nH+]c(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)nc1NC(C)C ZINC001157058980 1033392541 /nfs/dbraw/zinc/39/25/41/1033392541.db2.gz DFRIGDQNCVANIU-UHFFFAOYSA-N 2 2 387.503 3.545 20 0 GHADLP c1ccc(C[N@@H+]2CCO[C@@H](COc3cccc(C[NH+]4CCCCC4)c3)C2)cc1 ZINC001229449114 1033486909 /nfs/dbraw/zinc/48/69/09/1033486909.db2.gz XREQPLNZXKTGPB-XMMPIXPASA-N 2 2 380.532 3.952 20 0 GHADLP c1ccc(C[N@H+]2CCO[C@@H](COc3cccc(C[NH+]4CCCCC4)c3)C2)cc1 ZINC001229449114 1033486919 /nfs/dbraw/zinc/48/69/19/1033486919.db2.gz XREQPLNZXKTGPB-XMMPIXPASA-N 2 2 380.532 3.952 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@@H+]3CCC[C@H](C[NH3+])[C@H]3C)c2n1 ZINC001205916951 1033634681 /nfs/dbraw/zinc/63/46/81/1033634681.db2.gz WYUKHQIFKOFFHC-CHWSQXEVSA-N 2 2 378.314 3.565 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@H+]3CCC[C@H](C[NH3+])[C@H]3C)c2n1 ZINC001205916951 1033634689 /nfs/dbraw/zinc/63/46/89/1033634689.db2.gz WYUKHQIFKOFFHC-CHWSQXEVSA-N 2 2 378.314 3.565 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C[C@H]1C(F)(F)F ZINC001206691964 1033945916 /nfs/dbraw/zinc/94/59/16/1033945916.db2.gz UPBJBMMBPLBEBB-DZJNRPSUSA-N 2 2 390.490 3.893 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C[C@H]1C(F)(F)F ZINC001206691964 1033945923 /nfs/dbraw/zinc/94/59/23/1033945923.db2.gz UPBJBMMBPLBEBB-DZJNRPSUSA-N 2 2 390.490 3.893 20 0 GHADLP COC(=O)c1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001206734877 1033962783 /nfs/dbraw/zinc/96/27/83/1033962783.db2.gz JJIRDFJAZWWQNT-QHCPKHFHSA-N 2 2 394.515 3.643 20 0 GHADLP COC(=O)c1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001206734877 1033962791 /nfs/dbraw/zinc/96/27/91/1033962791.db2.gz JJIRDFJAZWWQNT-QHCPKHFHSA-N 2 2 394.515 3.643 20 0 GHADLP CC1(C)C[C@@H](Nc2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@](C)(C[NH3+])C1 ZINC001158264971 1033993243 /nfs/dbraw/zinc/99/32/43/1033993243.db2.gz DRCRNYJNWGJOLK-DVECYGJZSA-N 2 2 393.579 3.991 20 0 GHADLP CC1(C)C[C@@H](Nc2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@](C)(C[NH3+])C1 ZINC001158264971 1033993250 /nfs/dbraw/zinc/99/32/50/1033993250.db2.gz DRCRNYJNWGJOLK-DVECYGJZSA-N 2 2 393.579 3.991 20 0 GHADLP COc1cc2[nH+]c(N3CCC4(CC3)[NH2+]CCc3ccccc34)ccc2c(OC)c1 ZINC001159017667 1034383401 /nfs/dbraw/zinc/38/34/01/1034383401.db2.gz HIKANPFYERCDES-UHFFFAOYSA-N 2 2 389.499 3.893 20 0 GHADLP [NH3+]C1CCN(c2ccc(Nc3ccc(OCc4ccccc4)nc3)c[nH+]2)CC1 ZINC001159321312 1034542112 /nfs/dbraw/zinc/54/21/12/1034542112.db2.gz IGRVNUBIBCORAZ-UHFFFAOYSA-N 2 2 375.476 3.727 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)cc1Cl ZINC001231422579 1034573183 /nfs/dbraw/zinc/57/31/83/1034573183.db2.gz RFZVOWYDQVASFQ-DYXWJJEUSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)cc1Cl ZINC001231422579 1034573187 /nfs/dbraw/zinc/57/31/87/1034573187.db2.gz RFZVOWYDQVASFQ-DYXWJJEUSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1Cl ZINC001231422579 1034573190 /nfs/dbraw/zinc/57/31/90/1034573190.db2.gz RFZVOWYDQVASFQ-DYXWJJEUSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1Cl ZINC001231422579 1034573194 /nfs/dbraw/zinc/57/31/94/1034573194.db2.gz RFZVOWYDQVASFQ-DYXWJJEUSA-N 2 2 387.959 3.613 20 0 GHADLP CN(C)c1ccc2cc(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)ccc2c1 ZINC001231440168 1034588794 /nfs/dbraw/zinc/58/87/94/1034588794.db2.gz BJHXNDZNSTWJKI-ZRZAMGCNSA-N 2 2 386.543 3.865 20 0 GHADLP CN(C)c1ccc2cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)ccc2c1 ZINC001231440168 1034588800 /nfs/dbraw/zinc/58/88/00/1034588800.db2.gz BJHXNDZNSTWJKI-ZRZAMGCNSA-N 2 2 386.543 3.865 20 0 GHADLP CN(C)c1ccc2cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)ccc2c1 ZINC001231440168 1034588811 /nfs/dbraw/zinc/58/88/11/1034588811.db2.gz BJHXNDZNSTWJKI-ZRZAMGCNSA-N 2 2 386.543 3.865 20 0 GHADLP CN(C)c1ccc2cc(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)ccc2c1 ZINC001231440168 1034588818 /nfs/dbraw/zinc/58/88/18/1034588818.db2.gz BJHXNDZNSTWJKI-ZRZAMGCNSA-N 2 2 386.543 3.865 20 0 GHADLP CC(C)c1ccc(C[C@H](C)C[N@H+]2CCc3[nH+]cc(Cn4cccn4)n3CC2)cc1 ZINC001207939238 1034669959 /nfs/dbraw/zinc/66/99/59/1034669959.db2.gz GRQVDCKJFTUZRQ-FQEVSTJZSA-N 2 2 391.563 3.988 20 0 GHADLP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CCc3[nH+]cc(Cn4cccn4)n3CC2)cc1 ZINC001207939238 1034669965 /nfs/dbraw/zinc/66/99/65/1034669965.db2.gz GRQVDCKJFTUZRQ-FQEVSTJZSA-N 2 2 391.563 3.988 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)ccc1OC(=O)C(C)C ZINC001231535396 1034691229 /nfs/dbraw/zinc/69/12/29/1034691229.db2.gz VTVZVYRZAYWPDO-GOSISDBHSA-N 2 2 384.476 3.613 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)ccc1OC(=O)C(C)C ZINC001231535396 1034691233 /nfs/dbraw/zinc/69/12/33/1034691233.db2.gz VTVZVYRZAYWPDO-GOSISDBHSA-N 2 2 384.476 3.613 20 0 GHADLP Fc1ccc(OCC2CC[NH2+]CC2)c(Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC001159889707 1034776904 /nfs/dbraw/zinc/77/69/04/1034776904.db2.gz PRVUBNVHGGHVOD-UHFFFAOYSA-N 2 2 399.510 3.780 20 0 GHADLP COC[C@H]1C[N@H+](CC2(C[NH+](C)C)CCCC2)Cc2cn(CC3CCCC3)nc21 ZINC001208184329 1034781473 /nfs/dbraw/zinc/78/14/73/1034781473.db2.gz AYBLHCXGXGDDMM-OAQYLSRUSA-N 2 2 388.600 3.741 20 0 GHADLP COC[C@H]1C[N@@H+](CC2(C[NH+](C)C)CCCC2)Cc2cn(CC3CCCC3)nc21 ZINC001208184329 1034781487 /nfs/dbraw/zinc/78/14/87/1034781487.db2.gz AYBLHCXGXGDDMM-OAQYLSRUSA-N 2 2 388.600 3.741 20 0 GHADLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)c1Cl ZINC001231662188 1034818478 /nfs/dbraw/zinc/81/84/78/1034818478.db2.gz MIEYSKLOWUENPS-SJLPKXTDSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)c1Cl ZINC001231662188 1034818491 /nfs/dbraw/zinc/81/84/91/1034818491.db2.gz MIEYSKLOWUENPS-SJLPKXTDSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)c1Cl ZINC001231662188 1034818504 /nfs/dbraw/zinc/81/85/04/1034818504.db2.gz MIEYSKLOWUENPS-SJLPKXTDSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)c1Cl ZINC001231662188 1034818521 /nfs/dbraw/zinc/81/85/21/1034818521.db2.gz MIEYSKLOWUENPS-SJLPKXTDSA-N 2 2 393.362 3.989 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC001231811088 1034923551 /nfs/dbraw/zinc/92/35/51/1034923551.db2.gz SUBJRBVWMLTPTQ-HSZRJFAPSA-N 2 2 384.520 3.507 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC001231811088 1034923553 /nfs/dbraw/zinc/92/35/53/1034923553.db2.gz SUBJRBVWMLTPTQ-HSZRJFAPSA-N 2 2 384.520 3.507 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC001231811088 1034923556 /nfs/dbraw/zinc/92/35/56/1034923556.db2.gz SUBJRBVWMLTPTQ-HSZRJFAPSA-N 2 2 384.520 3.507 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC001231811088 1034923559 /nfs/dbraw/zinc/92/35/59/1034923559.db2.gz SUBJRBVWMLTPTQ-HSZRJFAPSA-N 2 2 384.520 3.507 20 0 GHADLP c1csc(C[NH+]2C[C@H]3CN(C[C@H]4CCCC[N@@H+]4Cc4ccccc4)C[C@H]3C2)n1 ZINC001208583315 1034940852 /nfs/dbraw/zinc/94/08/52/1034940852.db2.gz CERMKOKLXATZKF-BHIFYINESA-N 2 2 396.604 3.561 20 0 GHADLP c1csc(C[NH+]2C[C@H]3CN(C[C@H]4CCCC[N@H+]4Cc4ccccc4)C[C@H]3C2)n1 ZINC001208583315 1034940856 /nfs/dbraw/zinc/94/08/56/1034940856.db2.gz CERMKOKLXATZKF-BHIFYINESA-N 2 2 396.604 3.561 20 0 GHADLP c1csc(C[N@@H+]2C[C@H]3CN(C[C@H]4CCCC[NH+]4Cc4ccccc4)C[C@H]3C2)n1 ZINC001208583315 1034940862 /nfs/dbraw/zinc/94/08/62/1034940862.db2.gz CERMKOKLXATZKF-BHIFYINESA-N 2 2 396.604 3.561 20 0 GHADLP c1csc(C[N@H+]2C[C@H]3CN(C[C@H]4CCCC[NH+]4Cc4ccccc4)C[C@H]3C2)n1 ZINC001208583315 1034940868 /nfs/dbraw/zinc/94/08/68/1034940868.db2.gz CERMKOKLXATZKF-BHIFYINESA-N 2 2 396.604 3.561 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4c3OCCO4)C[C@H]21 ZINC001231885439 1034967436 /nfs/dbraw/zinc/96/74/36/1034967436.db2.gz MHNBPYGJDOCRQC-VLCRHTCISA-N 2 2 393.531 3.585 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4c3OCCO4)C[C@H]21 ZINC001231885439 1034967440 /nfs/dbraw/zinc/96/74/40/1034967440.db2.gz MHNBPYGJDOCRQC-VLCRHTCISA-N 2 2 393.531 3.585 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4c3OCCO4)C[C@H]21 ZINC001231885439 1034967443 /nfs/dbraw/zinc/96/74/43/1034967443.db2.gz MHNBPYGJDOCRQC-VLCRHTCISA-N 2 2 393.531 3.585 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4c3OCCO4)C[C@H]21 ZINC001231885439 1034967448 /nfs/dbraw/zinc/96/74/48/1034967448.db2.gz MHNBPYGJDOCRQC-VLCRHTCISA-N 2 2 393.531 3.585 20 0 GHADLP COc1cccc2c(C[NH+]3CCC4(CCC[N@@H+]4Cc4cnn(C)c4)CC3)c[nH]c21 ZINC001231895115 1034973725 /nfs/dbraw/zinc/97/37/25/1034973725.db2.gz JCBMQVCWGPFWMS-UHFFFAOYSA-N 2 2 393.535 3.541 20 0 GHADLP COc1cccc2c(C[NH+]3CCC4(CCC[N@H+]4Cc4cnn(C)c4)CC3)c[nH]c21 ZINC001231895115 1034973728 /nfs/dbraw/zinc/97/37/28/1034973728.db2.gz JCBMQVCWGPFWMS-UHFFFAOYSA-N 2 2 393.535 3.541 20 0 GHADLP [NH3+]C1CCN(C(=O)CC2=C(c3ccccc3)[NH2+]C(c3ccccc3)S2)CC1 ZINC001160503913 1034991045 /nfs/dbraw/zinc/99/10/45/1034991045.db2.gz IVNLJLMIBVQCHP-UHFFFAOYSA-N 2 2 378.521 3.569 20 0 GHADLP Brc1ccc(CN2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC001232014258 1035043983 /nfs/dbraw/zinc/04/39/83/1035043983.db2.gz MLKPGQPZHNEFOU-UHFFFAOYSA-N 2 2 385.309 3.643 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208933291 1035096208 /nfs/dbraw/zinc/09/62/08/1035096208.db2.gz CVOBMQDGJPUETI-QFIPXVFZSA-N 3 2 378.564 3.841 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208933291 1035096212 /nfs/dbraw/zinc/09/62/12/1035096212.db2.gz CVOBMQDGJPUETI-QFIPXVFZSA-N 3 2 378.564 3.841 20 0 GHADLP Clc1ccnc(N2CC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208941004 1035109355 /nfs/dbraw/zinc/10/93/55/1035109355.db2.gz WRBFMICUJMLNFW-HXUWFJFHSA-N 2 2 384.955 3.769 20 0 GHADLP Clc1ccnc(N2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208941004 1035109368 /nfs/dbraw/zinc/10/93/68/1035109368.db2.gz WRBFMICUJMLNFW-HXUWFJFHSA-N 2 2 384.955 3.769 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@@H+]2C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208942714 1035111829 /nfs/dbraw/zinc/11/18/29/1035111829.db2.gz RGVSWWSIYIXKNG-OAQYLSRUSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@H+]2C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208942714 1035111838 /nfs/dbraw/zinc/11/18/38/1035111838.db2.gz RGVSWWSIYIXKNG-OAQYLSRUSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCCC[NH+]2C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208942714 1035111844 /nfs/dbraw/zinc/11/18/44/1035111844.db2.gz RGVSWWSIYIXKNG-OAQYLSRUSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCCC[NH+]2C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208942714 1035111851 /nfs/dbraw/zinc/11/18/51/1035111851.db2.gz RGVSWWSIYIXKNG-OAQYLSRUSA-N 2 2 399.579 3.984 20 0 GHADLP Clc1ccc(CC[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001209081764 1035166067 /nfs/dbraw/zinc/16/60/67/1035166067.db2.gz UNKRIUPLUFLLMJ-ROUUACIJSA-N 2 2 376.331 3.995 20 0 GHADLP FC1(F)CC[N@H+](CCCc2cccnc2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001209175386 1035201097 /nfs/dbraw/zinc/20/10/97/1035201097.db2.gz SBUIRLNJLSNEAI-OAQYLSRUSA-N 2 2 386.490 3.643 20 0 GHADLP FC1(F)CC[N@@H+](CCCc2cccnc2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001209175386 1035201100 /nfs/dbraw/zinc/20/11/00/1035201100.db2.gz SBUIRLNJLSNEAI-OAQYLSRUSA-N 2 2 386.490 3.643 20 0 GHADLP FC1(F)CC[NH+](CCCc2cccnc2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001209175386 1035201102 /nfs/dbraw/zinc/20/11/02/1035201102.db2.gz SBUIRLNJLSNEAI-OAQYLSRUSA-N 2 2 386.490 3.643 20 0 GHADLP FC1(F)CC[NH+](CCCc2cccnc2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001209175386 1035201105 /nfs/dbraw/zinc/20/11/05/1035201105.db2.gz SBUIRLNJLSNEAI-OAQYLSRUSA-N 2 2 386.490 3.643 20 0 GHADLP CN(C)c1cccc(NCc2c[nH+]cn2Cc2ccccc2Br)[nH+]1 ZINC001161517189 1035247295 /nfs/dbraw/zinc/24/72/95/1035247295.db2.gz ABPWEJACEHSVHS-UHFFFAOYSA-N 2 2 386.297 3.767 20 0 GHADLP Cc1ccc(C)n1C1CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC001461957474 1069914235 /nfs/dbraw/zinc/91/42/35/1069914235.db2.gz WLQZCTYLYCYIDP-UHFFFAOYSA-N 2 2 397.563 3.653 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC001462001903 1069937884 /nfs/dbraw/zinc/93/78/84/1069937884.db2.gz ZSQGWRJXZZCEFB-QFIPXVFZSA-N 2 2 388.556 3.677 20 0 GHADLP C[NH+](C)CCOc1ccc(-c2ccc(-c3nc4c(o3)CC[N@H+](C)C4)cc2)cc1 ZINC001242151185 1035833799 /nfs/dbraw/zinc/83/37/99/1035833799.db2.gz FYIGQZAFPVZPHN-UHFFFAOYSA-N 2 2 377.488 3.937 20 0 GHADLP C[NH+](C)CCOc1ccc(-c2ccc(-c3nc4c(o3)CC[N@@H+](C)C4)cc2)cc1 ZINC001242151185 1035833820 /nfs/dbraw/zinc/83/38/20/1035833820.db2.gz FYIGQZAFPVZPHN-UHFFFAOYSA-N 2 2 377.488 3.937 20 0 GHADLP Fc1cccc(C[C@H]2C[NH2+][C@H](c3nc(-c4ccccc4-n4cc[nH+]c4)no3)C2)c1 ZINC001248619087 1035995482 /nfs/dbraw/zinc/99/54/82/1035995482.db2.gz BEEHTLFXWXCTTO-APWZRJJASA-N 2 2 389.434 3.955 20 0 GHADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc(-n3nccn3)cc2)CC1 ZINC001248771932 1036127493 /nfs/dbraw/zinc/12/74/93/1036127493.db2.gz ANFXCDUZIFBXIL-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc(-n3nccn3)cc2)CC1 ZINC001248771932 1036127501 /nfs/dbraw/zinc/12/75/01/1036127501.db2.gz ANFXCDUZIFBXIL-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)c2)C1 ZINC001243407981 1036140918 /nfs/dbraw/zinc/14/09/18/1036140918.db2.gz USGYWGHWMMYSRO-JOCHJYFZSA-N 2 2 381.495 3.652 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)c2)C1 ZINC001243407981 1036140930 /nfs/dbraw/zinc/14/09/30/1036140930.db2.gz USGYWGHWMMYSRO-JOCHJYFZSA-N 2 2 381.495 3.652 20 0 GHADLP C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3cc[nH+]c(N4CCOCC4)c3)cc12 ZINC001243902405 1036327644 /nfs/dbraw/zinc/32/76/44/1036327644.db2.gz BEWYWDHUIUUQTN-HXUWFJFHSA-N 2 2 376.504 3.703 20 0 GHADLP C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3cc[nH+]c(N4CCOCC4)c3)cc12 ZINC001243902405 1036327664 /nfs/dbraw/zinc/32/76/64/1036327664.db2.gz BEWYWDHUIUUQTN-HXUWFJFHSA-N 2 2 376.504 3.703 20 0 GHADLP Fc1cc(OCC[NH+]2CCOCC2)ccc1-c1cncc(C[NH+]2CCCCC2)c1 ZINC001244136267 1036389786 /nfs/dbraw/zinc/38/97/86/1036389786.db2.gz WDRYOINGEQKDBZ-UHFFFAOYSA-N 2 2 399.510 3.585 20 0 GHADLP O[C@@H](C[NH2+]C[C@@H]1CCC[NH2+]1)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245982777 1037107110 /nfs/dbraw/zinc/10/71/10/1037107110.db2.gz GMEFPGHWIDUISC-LPHOPBHVSA-N 2 2 377.315 3.940 20 0 GHADLP O[C@H](C[NH2+][C@@H]1C[NH2+]C[C@@H]2C[C@@H]21)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001246016186 1037136492 /nfs/dbraw/zinc/13/64/92/1037136492.db2.gz SNEKUKULDOOBLN-NLKHACGTSA-N 2 2 389.326 3.796 20 0 GHADLP O[C@H](COc1cccc2[nH]c3ccccc3c21)C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246037821 1037151691 /nfs/dbraw/zinc/15/16/91/1037151691.db2.gz XNXULKAJPCQJKP-MHECFPHRSA-N 2 2 393.531 3.669 20 0 GHADLP O[C@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246037821 1037151705 /nfs/dbraw/zinc/15/17/05/1037151705.db2.gz XNXULKAJPCQJKP-MHECFPHRSA-N 2 2 393.531 3.669 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246288904 1037278857 /nfs/dbraw/zinc/27/88/57/1037278857.db2.gz HXYFWAFEVDRLRP-DQEYMECFSA-N 3 2 377.576 3.646 20 0 GHADLP CC[C@@H]1CC([NH2+]Cc2ccc(C(=O)OC)cc2Br)C[C@@H](CC)[NH2+]1 ZINC001246357092 1037316000 /nfs/dbraw/zinc/31/60/00/1037316000.db2.gz VSPVITXTKYTDED-HUUCEWRRSA-N 2 2 383.330 3.635 20 0 GHADLP CC(C)[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246390079 1037349699 /nfs/dbraw/zinc/34/96/99/1037349699.db2.gz SPVSAHHZPWTTQP-HKUYNNGSSA-N 3 2 383.502 3.736 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]Cc2ccnc(OCC3CCC3)n2)CC[NH2+]1 ZINC001246434023 1037394962 /nfs/dbraw/zinc/39/49/62/1037394962.db2.gz LLAIHEKFABENBF-GHTZIAJQSA-N 2 2 384.499 3.686 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)CCO2 ZINC001246500127 1037444362 /nfs/dbraw/zinc/44/43/62/1037444362.db2.gz OVPVYKGFBPQBQD-WMQCIHAUSA-N 2 2 398.478 3.827 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246625736 1037515769 /nfs/dbraw/zinc/51/57/69/1037515769.db2.gz SQLUISSXJBHVTO-BJKOFHAPSA-N 3 2 375.560 3.730 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H]([NH+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246625736 1037515776 /nfs/dbraw/zinc/51/57/76/1037515776.db2.gz SQLUISSXJBHVTO-BJKOFHAPSA-N 3 2 375.560 3.730 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246625736 1037515784 /nfs/dbraw/zinc/51/57/84/1037515784.db2.gz SQLUISSXJBHVTO-BJKOFHAPSA-N 3 2 375.560 3.730 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H]([N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246625736 1037515790 /nfs/dbraw/zinc/51/57/90/1037515790.db2.gz SQLUISSXJBHVTO-BJKOFHAPSA-N 3 2 375.560 3.730 20 0 GHADLP CC(C)(C)[C@H]1C[C@H]([NH+]2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246780777 1037620929 /nfs/dbraw/zinc/62/09/29/1037620929.db2.gz DHSSRUCZJAXCIE-RTBURBONSA-N 2 2 394.401 3.733 20 0 GHADLP CCCC[C@H]1C[C@H]([NH+]2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246784748 1037623017 /nfs/dbraw/zinc/62/30/17/1037623017.db2.gz ZCKVDIQIFBKUTI-VQTJNVASSA-N 2 2 394.401 3.878 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H](N2CC[NH+](Cc3ccccc3F)CC2)CC[NH2+]1 ZINC001246789311 1037628996 /nfs/dbraw/zinc/62/89/96/1037628996.db2.gz XFGWCSKROOLBKH-NFBKMPQASA-N 2 2 385.502 3.884 20 0 GHADLP C[NH2+]CC[C@@H](C)[NH+]1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 ZINC001246797536 1037636126 /nfs/dbraw/zinc/63/61/26/1037636126.db2.gz PCTZXFBTGRBYJV-QGZVFWFLSA-N 2 2 380.561 3.845 20 0 GHADLP CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246819696 1037652253 /nfs/dbraw/zinc/65/22/53/1037652253.db2.gz DJEDXFWGWLZNDI-RTWAWAEBSA-N 2 2 383.580 3.783 20 0 GHADLP CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246819696 1037652262 /nfs/dbraw/zinc/65/22/62/1037652262.db2.gz DJEDXFWGWLZNDI-RTWAWAEBSA-N 2 2 383.580 3.783 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@H]([N@H+](C2COC2)C2CC[NH2+]CC2)CC3)cc1 ZINC001246842052 1037667472 /nfs/dbraw/zinc/66/74/72/1037667472.db2.gz AEKYUOHCKCBDKT-HSZRJFAPSA-N 2 2 392.543 3.576 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@H]([N@@H+](C2COC2)C2CC[NH2+]CC2)CC3)cc1 ZINC001246842052 1037667479 /nfs/dbraw/zinc/66/74/79/1037667479.db2.gz AEKYUOHCKCBDKT-HSZRJFAPSA-N 2 2 392.543 3.576 20 0 GHADLP COC(=O)c1cccc2c1CC[N@@H+]([C@@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246946821 1037751117 /nfs/dbraw/zinc/75/11/17/1037751117.db2.gz HWEFTPMHDGKHOJ-XMSQKQJNSA-N 2 2 382.479 3.772 20 0 GHADLP COC(=O)c1cccc2c1CC[N@H+]([C@@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246946821 1037751131 /nfs/dbraw/zinc/75/11/31/1037751131.db2.gz HWEFTPMHDGKHOJ-XMSQKQJNSA-N 2 2 382.479 3.772 20 0 GHADLP COc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)cc[nH+]1 ZINC001246981554 1037805840 /nfs/dbraw/zinc/80/58/40/1037805840.db2.gz WXYVZWXKQAALNR-KNQAVFIVSA-N 3 2 398.526 3.589 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247006465 1037829124 /nfs/dbraw/zinc/82/91/24/1037829124.db2.gz ABPUINILTONNQE-GJRMFYPFSA-N 2 2 390.955 3.767 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247006465 1037829148 /nfs/dbraw/zinc/82/91/48/1037829148.db2.gz ABPUINILTONNQE-GJRMFYPFSA-N 2 2 390.955 3.767 20 0 GHADLP CC[C@@H]1C[C@H]([NH+]2CCN([C@H](C)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001247018164 1037840529 /nfs/dbraw/zinc/84/05/29/1037840529.db2.gz WFQZNYWUXOJHEJ-ATZDWAIDSA-N 2 2 380.374 3.658 20 0 GHADLP CCCCc1ccc(-c2noc([C@@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)cc1 ZINC001247133295 1037939546 /nfs/dbraw/zinc/93/95/46/1037939546.db2.gz OYYOXCYWYJIXKE-SFHVURJKSA-N 2 2 377.492 3.694 20 0 GHADLP Cc1cc(F)c(-c2noc(-c3ccc([C@H]([NH3+])C[NH3+])cc3)n2)cc1Br ZINC001247699012 1038337610 /nfs/dbraw/zinc/33/76/10/1038337610.db2.gz IFYTWVKMOBFLIH-OAHLLOKOSA-N 2 2 391.244 3.572 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3ccc(Cl)cc3Br)no2)cc1 ZINC001247697440 1038337871 /nfs/dbraw/zinc/33/78/71/1038337871.db2.gz CHRIUIRMVMZZLO-AWEZNQCLSA-N 2 2 393.672 3.778 20 0 GHADLP COc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc(OC)c1Br ZINC001232569539 1038338561 /nfs/dbraw/zinc/33/85/61/1038338561.db2.gz VQJQWXZROHHDHY-UHFFFAOYSA-N 2 2 385.346 3.771 20 0 GHADLP COc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc(OC)c1Br ZINC001232569539 1038338577 /nfs/dbraw/zinc/33/85/77/1038338577.db2.gz VQJQWXZROHHDHY-UHFFFAOYSA-N 2 2 385.346 3.771 20 0 GHADLP CCc1cc(Br)ccc1-c1noc(-c2ccc([C@H]([NH3+])C[NH3+])cc2)n1 ZINC001247699456 1038339345 /nfs/dbraw/zinc/33/93/45/1038339345.db2.gz ZMVCDFUMBJOSRF-MRXNPFEDSA-N 2 2 387.281 3.687 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001252019480 1038815007 /nfs/dbraw/zinc/81/50/07/1038815007.db2.gz YGESKGIDYBJSOO-UYAOXDASSA-N 2 2 394.991 3.549 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001252019480 1038815032 /nfs/dbraw/zinc/81/50/32/1038815032.db2.gz YGESKGIDYBJSOO-UYAOXDASSA-N 2 2 394.991 3.549 20 0 GHADLP CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001252755108 1039136466 /nfs/dbraw/zinc/13/64/66/1039136466.db2.gz RLAWQWZFKLQXQH-OAQYLSRUSA-N 2 2 392.559 3.622 20 0 GHADLP O[C@@]1(C[NH2+][C@H](c2ccccc2F)C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948051 1039292163 /nfs/dbraw/zinc/29/21/63/1039292163.db2.gz IZPHROCWMJUHTM-BJKOFHAPSA-N 2 2 398.522 3.520 20 0 GHADLP O[C@@]1(C[NH2+][C@H](c2ccccc2F)C2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948051 1039292176 /nfs/dbraw/zinc/29/21/76/1039292176.db2.gz IZPHROCWMJUHTM-BJKOFHAPSA-N 2 2 398.522 3.520 20 0 GHADLP COc1ccc(CC[N@H+](C)Cc2ccc(-n3cc[nH+]c3)c(OC)c2)cc1OC ZINC001234033711 1039775162 /nfs/dbraw/zinc/77/51/62/1039775162.db2.gz VFMYTDOEAWEDTA-UHFFFAOYSA-N 2 2 381.476 3.573 20 0 GHADLP COc1ccc(CC[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)c(OC)c2)cc1OC ZINC001234033711 1039775170 /nfs/dbraw/zinc/77/51/70/1039775170.db2.gz VFMYTDOEAWEDTA-UHFFFAOYSA-N 2 2 381.476 3.573 20 0 GHADLP COc1cc(C[NH+]2CCC(Oc3ncccc3C)CC2)ccc1-n1cc[nH+]c1 ZINC001234085217 1039824419 /nfs/dbraw/zinc/82/44/19/1039824419.db2.gz NQMKDTNJJKVINM-UHFFFAOYSA-N 2 2 378.476 3.628 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CCC[C@@]1(C)O ZINC001235026914 1040518187 /nfs/dbraw/zinc/51/81/87/1040518187.db2.gz JJTHOTTXLLKXRJ-KBXCAEBGSA-N 2 2 378.314 3.618 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CCC[C@@]1(C)O ZINC001235026914 1040518206 /nfs/dbraw/zinc/51/82/06/1040518206.db2.gz JJTHOTTXLLKXRJ-KBXCAEBGSA-N 2 2 378.314 3.618 20 0 GHADLP Brc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)ccc1-n1cccn1 ZINC001235040997 1040535061 /nfs/dbraw/zinc/53/50/61/1040535061.db2.gz WAKVPYGWGHUHLF-LJQANCHMSA-N 2 2 389.341 3.743 20 0 GHADLP Brc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)ccc1-n1cccn1 ZINC001235040997 1040535084 /nfs/dbraw/zinc/53/50/84/1040535084.db2.gz WAKVPYGWGHUHLF-LJQANCHMSA-N 2 2 389.341 3.743 20 0 GHADLP Cc1[nH+]cc2n1CC[N@H+](C1CCC3(CC1)CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001254795031 1040555228 /nfs/dbraw/zinc/55/52/28/1040555228.db2.gz FIECTPSVCPSLSL-UHFFFAOYSA-N 2 2 388.556 3.967 20 0 GHADLP Cc1[nH+]cc2n1CC[N@@H+](C1CCC3(CC1)CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001254795031 1040555238 /nfs/dbraw/zinc/55/52/38/1040555238.db2.gz FIECTPSVCPSLSL-UHFFFAOYSA-N 2 2 388.556 3.967 20 0 GHADLP Brc1ccc2sc(C[N@@H+]3CCC[C@]4(C[NH2+]CCO4)C3)cc2c1 ZINC001235114807 1040601966 /nfs/dbraw/zinc/60/19/66/1040601966.db2.gz NZBUAOXJROAFJD-KRWDZBQOSA-N 2 2 381.339 3.618 20 0 GHADLP Brc1ccc2sc(C[N@H+]3CCC[C@]4(C[NH2+]CCO4)C3)cc2c1 ZINC001235114807 1040601991 /nfs/dbraw/zinc/60/19/91/1040601991.db2.gz NZBUAOXJROAFJD-KRWDZBQOSA-N 2 2 381.339 3.618 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(Oc4cccnc4)cc3)CC2)c1 ZINC001235124268 1040613582 /nfs/dbraw/zinc/61/35/82/1040613582.db2.gz DAJPMIQXOOLTDE-UHFFFAOYSA-N 2 2 376.460 3.600 20 0 GHADLP Cc1cc(Cl)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)c1 ZINC001235167733 1040659341 /nfs/dbraw/zinc/65/93/41/1040659341.db2.gz BCIXWBHDARGLPD-SJORKVTESA-N 2 2 393.362 3.989 20 0 GHADLP Cc1cc(Cl)c(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)c1 ZINC001235167733 1040659348 /nfs/dbraw/zinc/65/93/48/1040659348.db2.gz BCIXWBHDARGLPD-SJORKVTESA-N 2 2 393.362 3.989 20 0 GHADLP Cc1cc(Cl)c(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)c1 ZINC001235167733 1040659355 /nfs/dbraw/zinc/65/93/55/1040659355.db2.gz BCIXWBHDARGLPD-SJORKVTESA-N 2 2 393.362 3.989 20 0 GHADLP Cc1cc(Cl)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)c1 ZINC001235167733 1040659368 /nfs/dbraw/zinc/65/93/68/1040659368.db2.gz BCIXWBHDARGLPD-SJORKVTESA-N 2 2 393.362 3.989 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1cc(-c3ccsc3)cs1)CC2 ZINC001235181222 1040672184 /nfs/dbraw/zinc/67/21/84/1040672184.db2.gz UMSIVMXDXALFMB-UHFFFAOYSA-N 2 2 389.590 3.653 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1cc(-c3ccsc3)cs1)CC2 ZINC001235181222 1040672192 /nfs/dbraw/zinc/67/21/92/1040672192.db2.gz UMSIVMXDXALFMB-UHFFFAOYSA-N 2 2 389.590 3.653 20 0 GHADLP O=C(c1ccco1)N1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255148242 1040864205 /nfs/dbraw/zinc/86/42/05/1040864205.db2.gz SMRPJDFQCLEDJS-KOUNCHBCSA-N 2 2 393.531 3.623 20 0 GHADLP O=C(c1ccco1)N1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255148242 1040864217 /nfs/dbraw/zinc/86/42/17/1040864217.db2.gz SMRPJDFQCLEDJS-KOUNCHBCSA-N 2 2 393.531 3.623 20 0 GHADLP O=C(c1ccco1)N1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255148242 1040864230 /nfs/dbraw/zinc/86/42/30/1040864230.db2.gz SMRPJDFQCLEDJS-KOUNCHBCSA-N 2 2 393.531 3.623 20 0 GHADLP O=C(c1ccco1)N1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255148242 1040864240 /nfs/dbraw/zinc/86/42/40/1040864240.db2.gz SMRPJDFQCLEDJS-KOUNCHBCSA-N 2 2 393.531 3.623 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235369366 1040869171 /nfs/dbraw/zinc/86/91/71/1040869171.db2.gz MGAYELBKDMWCJC-ILBGXUMGSA-N 3 2 386.543 3.934 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235369366 1040869185 /nfs/dbraw/zinc/86/91/85/1040869185.db2.gz MGAYELBKDMWCJC-ILBGXUMGSA-N 3 2 386.543 3.934 20 0 GHADLP COc1cc(F)c(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1OC ZINC001235374740 1040883615 /nfs/dbraw/zinc/88/36/15/1040883615.db2.gz YHXOBPJEFPIJOF-XXBNENTESA-N 2 2 384.495 3.596 20 0 GHADLP COc1cc(F)c(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1OC ZINC001235374740 1040883646 /nfs/dbraw/zinc/88/36/46/1040883646.db2.gz YHXOBPJEFPIJOF-XXBNENTESA-N 2 2 384.495 3.596 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)C1 ZINC001255350502 1040956628 /nfs/dbraw/zinc/95/66/28/1040956628.db2.gz UUEHGLXMQGKCJZ-XLIONFOSSA-N 2 2 376.516 3.810 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3[C@H]2CCC[NH+](Cc3ccccc3)CC2)cc1 ZINC001255406421 1040994132 /nfs/dbraw/zinc/99/41/32/1040994132.db2.gz SBTGTCYBPPQBMU-SDHOMARFSA-N 2 2 375.560 4.000 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3[C@H]2CCC[NH+](Cc3ccccc3)CC2)cc1 ZINC001255406421 1040994133 /nfs/dbraw/zinc/99/41/33/1040994133.db2.gz SBTGTCYBPPQBMU-SDHOMARFSA-N 2 2 375.560 4.000 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3[C@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255406421 1040994134 /nfs/dbraw/zinc/99/41/34/1040994134.db2.gz SBTGTCYBPPQBMU-SDHOMARFSA-N 2 2 375.560 4.000 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255406421 1040994139 /nfs/dbraw/zinc/99/41/39/1040994139.db2.gz SBTGTCYBPPQBMU-SDHOMARFSA-N 2 2 375.560 4.000 20 0 GHADLP FC1(F)CN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC[C@@H]1[NH+]1CCCC1 ZINC001255408843 1040995702 /nfs/dbraw/zinc/99/57/02/1040995702.db2.gz CRWGXYJSQKKYDG-SFTDATJTSA-N 2 2 377.523 3.847 20 0 GHADLP FC1(F)CN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@@H]1[NH+]1CCCC1 ZINC001255408843 1040995705 /nfs/dbraw/zinc/99/57/05/1040995705.db2.gz CRWGXYJSQKKYDG-SFTDATJTSA-N 2 2 377.523 3.847 20 0 GHADLP COc1cc(N(C2CC[NH2+]CC2)[C@H]2CCC[N@H+](Cc3ccccc3)CC2)cc[nH+]1 ZINC001255409726 1040998528 /nfs/dbraw/zinc/99/85/28/1040998528.db2.gz LLYZZJVRYJVRNP-NRFANRHFSA-N 3 2 394.563 3.703 20 0 GHADLP COc1cc(N(C2CC[NH2+]CC2)[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc[nH+]1 ZINC001255409726 1040998530 /nfs/dbraw/zinc/99/85/30/1040998530.db2.gz LLYZZJVRYJVRNP-NRFANRHFSA-N 3 2 394.563 3.703 20 0 GHADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC001462510584 1070314369 /nfs/dbraw/zinc/31/43/69/1070314369.db2.gz UGVFMLBHHXFEGH-VQTJNVASSA-N 2 2 375.557 3.586 20 0 GHADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC001462510584 1070314384 /nfs/dbraw/zinc/31/43/84/1070314384.db2.gz UGVFMLBHHXFEGH-VQTJNVASSA-N 2 2 375.557 3.586 20 0 GHADLP Oc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC(F)(F)F ZINC001235671685 1041128445 /nfs/dbraw/zinc/12/84/45/1041128445.db2.gz XEEXPJZDOBVGGI-HDICACEKSA-N 2 2 392.421 3.855 20 0 GHADLP Oc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC(F)(F)F ZINC001235671685 1041128453 /nfs/dbraw/zinc/12/84/53/1041128453.db2.gz XEEXPJZDOBVGGI-HDICACEKSA-N 2 2 392.421 3.855 20 0 GHADLP Oc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1OC(F)(F)F ZINC001235671685 1041128463 /nfs/dbraw/zinc/12/84/63/1041128463.db2.gz XEEXPJZDOBVGGI-HDICACEKSA-N 2 2 392.421 3.855 20 0 GHADLP Oc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1OC(F)(F)F ZINC001235671685 1041128479 /nfs/dbraw/zinc/12/84/79/1041128479.db2.gz XEEXPJZDOBVGGI-HDICACEKSA-N 2 2 392.421 3.855 20 0 GHADLP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Cl)nc1NC(=O)OC(C)(C)C)CC2 ZINC001235722393 1041208627 /nfs/dbraw/zinc/20/86/27/1041208627.db2.gz WHDVNUXYXYPRRP-UHFFFAOYSA-N 2 2 380.920 3.610 20 0 GHADLP Cc1ccc(SC[C@@H](C)[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001255767905 1041284962 /nfs/dbraw/zinc/28/49/62/1041284962.db2.gz SHTIPFJEKZTNMW-LJQANCHMSA-N 2 2 399.608 3.611 20 0 GHADLP Cc1ccc(SC[C@@H](C)[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001255767905 1041284971 /nfs/dbraw/zinc/28/49/71/1041284971.db2.gz SHTIPFJEKZTNMW-LJQANCHMSA-N 2 2 399.608 3.611 20 0 GHADLP Cc1ccc2[nH+]cc(CN3CC[NH2+][C@@H](c4cccc(Br)c4)C3)n2c1 ZINC001235795135 1041294683 /nfs/dbraw/zinc/29/46/83/1041294683.db2.gz YEWVQROZEOWBPH-GOSISDBHSA-N 2 2 385.309 3.552 20 0 GHADLP CC1([NH+]2CCN(Cc3ccc(Cl)cc3C(F)(F)F)CC2)CC[NH2+]CC1 ZINC001235815724 1041330006 /nfs/dbraw/zinc/33/00/06/1041330006.db2.gz NTUVRCZNINUWAH-UHFFFAOYSA-N 2 2 375.866 3.619 20 0 GHADLP CC1([NH+]2CCN(Cc3csc(-c4ccc(Cl)cc4)n3)CC2)CC[NH2+]CC1 ZINC001235821992 1041338108 /nfs/dbraw/zinc/33/81/08/1041338108.db2.gz OZDKLHPQSGUYMG-UHFFFAOYSA-N 2 2 390.984 3.723 20 0 GHADLP CC1([NH+]2CCN(Cc3cccc(F)c3OCc3ccccc3)CC2)CC[NH2+]CC1 ZINC001235821987 1041339157 /nfs/dbraw/zinc/33/91/57/1041339157.db2.gz OXOPGAAISMGYRI-UHFFFAOYSA-N 2 2 397.538 3.664 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001255961331 1041439692 /nfs/dbraw/zinc/43/96/92/1041439692.db2.gz CJYUNKRSADNQEB-AUSIDOKSSA-N 2 2 389.559 3.761 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001255961331 1041439695 /nfs/dbraw/zinc/43/96/95/1041439695.db2.gz CJYUNKRSADNQEB-AUSIDOKSSA-N 2 2 389.559 3.761 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001255961333 1041440603 /nfs/dbraw/zinc/44/06/03/1041440603.db2.gz CJYUNKRSADNQEB-WMZHIEFXSA-N 2 2 389.559 3.761 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001255961333 1041440608 /nfs/dbraw/zinc/44/06/08/1041440608.db2.gz CJYUNKRSADNQEB-WMZHIEFXSA-N 2 2 389.559 3.761 20 0 GHADLP COCCC[N@H+](Cc1cc(Cl)cc(Br)c1F)C1CC[NH2+]CC1 ZINC001235939395 1041445888 /nfs/dbraw/zinc/44/58/88/1041445888.db2.gz ANTLGGRQSQSDFJ-UHFFFAOYSA-N 2 2 393.728 3.832 20 0 GHADLP COCCC[N@@H+](Cc1cc(Cl)cc(Br)c1F)C1CC[NH2+]CC1 ZINC001235939395 1041445890 /nfs/dbraw/zinc/44/58/90/1041445890.db2.gz ANTLGGRQSQSDFJ-UHFFFAOYSA-N 2 2 393.728 3.832 20 0 GHADLP COc1cccc(-c2csc(C[N@@H+]3CCN(c4cc[nH+]cc4)[C@H](C)C3)n2)c1 ZINC001462545678 1070347437 /nfs/dbraw/zinc/34/74/37/1070347437.db2.gz AUOUUKKPJUDFLL-MRXNPFEDSA-N 2 2 380.517 3.924 20 0 GHADLP COc1cccc(-c2csc(C[N@H+]3CCN(c4cc[nH+]cc4)[C@H](C)C3)n2)c1 ZINC001462545678 1070347452 /nfs/dbraw/zinc/34/74/52/1070347452.db2.gz AUOUUKKPJUDFLL-MRXNPFEDSA-N 2 2 380.517 3.924 20 0 GHADLP Brc1cc(Br)cc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1 ZINC001236007945 1041499079 /nfs/dbraw/zinc/49/90/79/1041499079.db2.gz HBWOVEQYJCKPSI-UHFFFAOYSA-N 2 2 388.147 3.787 20 0 GHADLP Brc1cccc(Br)c1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236009669 1041501843 /nfs/dbraw/zinc/50/18/43/1041501843.db2.gz ORONPCSACCOFIU-UHFFFAOYSA-N 2 2 388.147 3.787 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cnc(NC(=O)OC(C)(C)C)s2)CCN1c1cc[nH+]cc1 ZINC001462550133 1070353818 /nfs/dbraw/zinc/35/38/18/1070353818.db2.gz OCLWWDYUGACXHR-CQSZACIVSA-N 2 2 389.525 3.596 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cnc(NC(=O)OC(C)(C)C)s2)CCN1c1cc[nH+]cc1 ZINC001462550133 1070353835 /nfs/dbraw/zinc/35/38/35/1070353835.db2.gz OCLWWDYUGACXHR-CQSZACIVSA-N 2 2 389.525 3.596 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+](C2CC2)C2CC[NH+](C3CC3)CC2)C1 ZINC001256083429 1041514350 /nfs/dbraw/zinc/51/43/50/1041514350.db2.gz UWIIIAFNJFNPPJ-KRWDZBQOSA-N 2 2 377.573 3.725 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+](C2CC2)C2CC[NH+](C3CC3)CC2)C1 ZINC001256083429 1041514355 /nfs/dbraw/zinc/51/43/55/1041514355.db2.gz UWIIIAFNJFNPPJ-KRWDZBQOSA-N 2 2 377.573 3.725 20 0 GHADLP C[C@@H](Cc1cccc(Br)c1)[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001256178828 1041623103 /nfs/dbraw/zinc/62/31/03/1041623103.db2.gz OPQPTWVZFLKPSZ-INIZCTEOSA-N 2 2 388.353 3.811 20 0 GHADLP COc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc(OCc2ccccc2)c1OC ZINC001236217225 1041627211 /nfs/dbraw/zinc/62/72/11/1041627211.db2.gz OFEUPZKAVJJXBI-WOJBJXKFSA-N 2 2 384.520 3.985 20 0 GHADLP COc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc(OCc2ccccc2)c1OC ZINC001236217225 1041627222 /nfs/dbraw/zinc/62/72/22/1041627222.db2.gz OFEUPZKAVJJXBI-WOJBJXKFSA-N 2 2 384.520 3.985 20 0 GHADLP C[N@H+](Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220085 1041628834 /nfs/dbraw/zinc/62/88/34/1041628834.db2.gz YIELPWOUXSXBFD-ILBGXUMGSA-N 3 2 392.591 3.711 20 0 GHADLP C[N@@H+](Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220085 1041628839 /nfs/dbraw/zinc/62/88/39/1041628839.db2.gz YIELPWOUXSXBFD-ILBGXUMGSA-N 3 2 392.591 3.711 20 0 GHADLP CC[NH+](CC)CCCN1CC[NH+]([C@H](C)Cc2cccc(Br)c2)CC1 ZINC001256189289 1041632744 /nfs/dbraw/zinc/63/27/44/1041632744.db2.gz CLBHZTCXNIKODG-GOSISDBHSA-N 2 2 396.417 3.730 20 0 GHADLP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C3)cc2)cc1 ZINC001236356972 1041681444 /nfs/dbraw/zinc/68/14/44/1041681444.db2.gz LEDBZBCDHVNUIU-RBUKOAKNSA-N 2 2 392.421 3.852 20 0 GHADLP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C3)cc2)cc1 ZINC001236356972 1041681446 /nfs/dbraw/zinc/68/14/46/1041681446.db2.gz LEDBZBCDHVNUIU-RBUKOAKNSA-N 2 2 392.421 3.852 20 0 GHADLP COc1cc(Br)c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1O ZINC001236374843 1041686015 /nfs/dbraw/zinc/68/60/15/1041686015.db2.gz FPVBURLHUMVVIJ-CQSZACIVSA-N 2 2 397.357 3.908 20 0 GHADLP COc1cc(Br)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1O ZINC001236374843 1041686018 /nfs/dbraw/zinc/68/60/18/1041686018.db2.gz FPVBURLHUMVVIJ-CQSZACIVSA-N 2 2 397.357 3.908 20 0 GHADLP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001256402206 1041719765 /nfs/dbraw/zinc/71/97/65/1041719765.db2.gz FLQCGOCRGAETNA-SQJMNOBHSA-N 2 2 389.543 3.666 20 0 GHADLP Fc1ccc(C[N@H+](Cc2ccc(-n3cccn3)cc2)C2CC[NH2+]CC2)cc1F ZINC001236500033 1041741474 /nfs/dbraw/zinc/74/14/74/1041741474.db2.gz IYWFIMZNOFLVEQ-UHFFFAOYSA-N 2 2 382.458 3.905 20 0 GHADLP Fc1ccc(C[N@@H+](Cc2ccc(-n3cccn3)cc2)C2CC[NH2+]CC2)cc1F ZINC001236500033 1041741476 /nfs/dbraw/zinc/74/14/76/1041741476.db2.gz IYWFIMZNOFLVEQ-UHFFFAOYSA-N 2 2 382.458 3.905 20 0 GHADLP C[NH+]1CCN(C(=O)c2ccc(-c3ccc(C[NH+]4CCCCC4)c(F)c3)cc2)CC1 ZINC001236558046 1041762400 /nfs/dbraw/zinc/76/24/00/1041762400.db2.gz BXDIDIAUXIRUMI-UHFFFAOYSA-N 2 2 395.522 3.866 20 0 GHADLP COc1ccccc1C[N@H+](Cc1c(F)ccc(O)c1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711892 1041848589 /nfs/dbraw/zinc/84/85/89/1041848589.db2.gz VYKGMXPZEWZVJH-WKILWMFISA-N 2 2 376.447 3.951 20 0 GHADLP COc1ccccc1C[N@@H+](Cc1c(F)ccc(O)c1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711892 1041848595 /nfs/dbraw/zinc/84/85/95/1041848595.db2.gz VYKGMXPZEWZVJH-WKILWMFISA-N 2 2 376.447 3.951 20 0 GHADLP COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236902342 1041947818 /nfs/dbraw/zinc/94/78/18/1041947818.db2.gz HEFHVUFVGALOLW-NQIIRXRSSA-N 2 2 389.927 3.933 20 0 GHADLP COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236902342 1041947820 /nfs/dbraw/zinc/94/78/20/1041947820.db2.gz HEFHVUFVGALOLW-NQIIRXRSSA-N 2 2 389.927 3.933 20 0 GHADLP Clc1cc(CN2CC3(C2)CC[N@H+](Cc2cccnc2)C3)ccc1-n1cc[nH+]c1 ZINC001236904194 1041948755 /nfs/dbraw/zinc/94/87/55/1041948755.db2.gz SDKKOHITKHHWGN-UHFFFAOYSA-N 2 2 393.922 3.629 20 0 GHADLP Clc1cc(CN2CC3(C2)CC[N@@H+](Cc2cccnc2)C3)ccc1-n1cc[nH+]c1 ZINC001236904194 1041948756 /nfs/dbraw/zinc/94/87/56/1041948756.db2.gz SDKKOHITKHHWGN-UHFFFAOYSA-N 2 2 393.922 3.629 20 0 GHADLP COc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)nc1 ZINC001236908225 1041950873 /nfs/dbraw/zinc/95/08/73/1041950873.db2.gz DXQXJJJRZDISIN-QGZVFWFLSA-N 2 2 384.867 3.583 20 0 GHADLP COc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)nc1 ZINC001236908225 1041950878 /nfs/dbraw/zinc/95/08/78/1041950878.db2.gz DXQXJJJRZDISIN-QGZVFWFLSA-N 2 2 384.867 3.583 20 0 GHADLP O=C1Nc2ccccc2[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C[C@H]12 ZINC001236909802 1041952679 /nfs/dbraw/zinc/95/26/79/1041952679.db2.gz XYWGELXBCPHLBP-SJORKVTESA-N 2 2 378.863 3.693 20 0 GHADLP O=C1Nc2ccccc2[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C[C@H]12 ZINC001236909802 1041952682 /nfs/dbraw/zinc/95/26/82/1041952682.db2.gz XYWGELXBCPHLBP-SJORKVTESA-N 2 2 378.863 3.693 20 0 GHADLP F[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[C@H]1[NH+]1CCCCC1 ZINC001236928129 1041962410 /nfs/dbraw/zinc/96/24/10/1041962410.db2.gz IMXKADCCEALCTP-VQTJNVASSA-N 2 2 376.907 3.924 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3c(C)cc(Cl)cc3C)C2)C1 ZINC001237351494 1042161682 /nfs/dbraw/zinc/16/16/82/1042161682.db2.gz JGGQTORRYBKRIA-NRFANRHFSA-N 2 2 380.960 3.518 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3c(C)cc(Cl)cc3C)C2)C1 ZINC001237351494 1042161689 /nfs/dbraw/zinc/16/16/89/1042161689.db2.gz JGGQTORRYBKRIA-NRFANRHFSA-N 2 2 380.960 3.518 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3c(C)cc(Cl)cc3C)C2)C1 ZINC001237351494 1042161693 /nfs/dbraw/zinc/16/16/93/1042161693.db2.gz JGGQTORRYBKRIA-NRFANRHFSA-N 2 2 380.960 3.518 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3c(C)cc(Cl)cc3C)C2)C1 ZINC001237351494 1042161696 /nfs/dbraw/zinc/16/16/96/1042161696.db2.gz JGGQTORRYBKRIA-NRFANRHFSA-N 2 2 380.960 3.518 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3c(C)cc(Cl)cc3C)C2)C1 ZINC001237351495 1042161807 /nfs/dbraw/zinc/16/18/07/1042161807.db2.gz JGGQTORRYBKRIA-OAQYLSRUSA-N 2 2 380.960 3.518 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3c(C)cc(Cl)cc3C)C2)C1 ZINC001237351495 1042161814 /nfs/dbraw/zinc/16/18/14/1042161814.db2.gz JGGQTORRYBKRIA-OAQYLSRUSA-N 2 2 380.960 3.518 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3c(C)cc(Cl)cc3C)C2)C1 ZINC001237351495 1042161818 /nfs/dbraw/zinc/16/18/18/1042161818.db2.gz JGGQTORRYBKRIA-OAQYLSRUSA-N 2 2 380.960 3.518 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3c(C)cc(Cl)cc3C)C2)C1 ZINC001237351495 1042161820 /nfs/dbraw/zinc/16/18/20/1042161820.db2.gz JGGQTORRYBKRIA-OAQYLSRUSA-N 2 2 380.960 3.518 20 0 GHADLP CCOC(=O)c1csc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001237354731 1042165756 /nfs/dbraw/zinc/16/57/56/1042165756.db2.gz IRKIGCPBJSTMHT-RTBURBONSA-N 2 2 399.560 3.664 20 0 GHADLP CCOC(=O)c1csc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001237354731 1042165759 /nfs/dbraw/zinc/16/57/59/1042165759.db2.gz IRKIGCPBJSTMHT-RTBURBONSA-N 2 2 399.560 3.664 20 0 GHADLP CCOC(=O)c1csc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001237354731 1042165764 /nfs/dbraw/zinc/16/57/64/1042165764.db2.gz IRKIGCPBJSTMHT-RTBURBONSA-N 2 2 399.560 3.664 20 0 GHADLP CCOC(=O)c1csc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001237354731 1042165770 /nfs/dbraw/zinc/16/57/70/1042165770.db2.gz IRKIGCPBJSTMHT-RTBURBONSA-N 2 2 399.560 3.664 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1OC(=O)c1cccs1 ZINC001237393764 1042187439 /nfs/dbraw/zinc/18/74/39/1042187439.db2.gz SSEBYCNIDIKWNV-DLBZAZTESA-N 2 2 386.517 3.550 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1OC(=O)c1cccs1 ZINC001237393764 1042187441 /nfs/dbraw/zinc/18/74/41/1042187441.db2.gz SSEBYCNIDIKWNV-DLBZAZTESA-N 2 2 386.517 3.550 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)CC1 ZINC001237425935 1042203085 /nfs/dbraw/zinc/20/30/85/1042203085.db2.gz RZMLAYREZBNFDA-UHFFFAOYSA-N 2 2 399.510 3.613 20 0 GHADLP CCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1cccc3c[nH+]cn31)CC2 ZINC001238102539 1042492984 /nfs/dbraw/zinc/49/29/84/1042492984.db2.gz ASYXBCJXWJCKRQ-QFIPXVFZSA-N 2 2 388.515 3.705 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(N2CC[NH+](Cc3cccc4c[nH+]cn43)CC2)cc1 ZINC001238111324 1042494927 /nfs/dbraw/zinc/49/49/27/1042494927.db2.gz UUFAEBNEDNMTQW-UHFFFAOYSA-N 2 2 392.503 3.612 20 0 GHADLP CC(C)Oc1cncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001238465226 1042605604 /nfs/dbraw/zinc/60/56/04/1042605604.db2.gz JBBCREMICCCKIV-NKKJXINNSA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1cncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001238465226 1042605606 /nfs/dbraw/zinc/60/56/06/1042605606.db2.gz JBBCREMICCCKIV-NKKJXINNSA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1cncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001238465226 1042605608 /nfs/dbraw/zinc/60/56/08/1042605608.db2.gz JBBCREMICCCKIV-NKKJXINNSA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1cncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001238465226 1042605609 /nfs/dbraw/zinc/60/56/09/1042605609.db2.gz JBBCREMICCCKIV-NKKJXINNSA-N 2 2 394.563 3.996 20 0 GHADLP COc1cc(C)cc(F)c1C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001238586570 1042648198 /nfs/dbraw/zinc/64/81/98/1042648198.db2.gz UMFREXOWOBOYIL-UHFFFAOYSA-N 2 2 386.515 3.507 20 0 GHADLP COc1cc(C)cc(F)c1C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001238586570 1042648201 /nfs/dbraw/zinc/64/82/01/1042648201.db2.gz UMFREXOWOBOYIL-UHFFFAOYSA-N 2 2 386.515 3.507 20 0 GHADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(OC)ccc2-c2ccncc2)CC1 ZINC001238652059 1042670757 /nfs/dbraw/zinc/67/07/57/1042670757.db2.gz PILXNTYCCLOWJR-QFIPXVFZSA-N 2 2 395.547 3.832 20 0 GHADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(OC)ccc2-c2ccncc2)CC1 ZINC001238652059 1042670759 /nfs/dbraw/zinc/67/07/59/1042670759.db2.gz PILXNTYCCLOWJR-QFIPXVFZSA-N 2 2 395.547 3.832 20 0 GHADLP c1cc(CC[NH+]2CCOCC2)cc(-c2ccc([C@H]3CN4CCSC4=[NH+]3)cc2)c1 ZINC001240270474 1042914798 /nfs/dbraw/zinc/91/47/98/1042914798.db2.gz JZZWINMIYKNQIX-JOCHJYFZSA-N 2 2 393.556 3.688 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2)nc1 ZINC001240448827 1042929970 /nfs/dbraw/zinc/92/99/70/1042929970.db2.gz LVOMYYKLEGRWPU-FQEVSTJZSA-N 2 2 395.547 3.834 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2)nc1 ZINC001240448827 1042929971 /nfs/dbraw/zinc/92/99/71/1042929971.db2.gz LVOMYYKLEGRWPU-FQEVSTJZSA-N 2 2 395.547 3.834 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256542329 1043494300 /nfs/dbraw/zinc/49/43/00/1043494300.db2.gz OLQKSDXMVQXFEI-NXWXRZEISA-N 2 2 388.449 3.767 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256542329 1043494306 /nfs/dbraw/zinc/49/43/06/1043494306.db2.gz OLQKSDXMVQXFEI-NXWXRZEISA-N 2 2 388.449 3.767 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)CC[NH+]1Cc1ccccc1 ZINC001256542329 1043494308 /nfs/dbraw/zinc/49/43/08/1043494308.db2.gz OLQKSDXMVQXFEI-NXWXRZEISA-N 2 2 388.449 3.767 20 0 GHADLP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)CC[NH+]1Cc1ccccc1 ZINC001256542329 1043494317 /nfs/dbraw/zinc/49/43/17/1043494317.db2.gz OLQKSDXMVQXFEI-NXWXRZEISA-N 2 2 388.449 3.767 20 0 GHADLP COC[C@@H]1COCCC12CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256546436 1043507303 /nfs/dbraw/zinc/50/73/03/1043507303.db2.gz LOICNEDQBLVKGX-MZYLBHOOSA-N 2 2 386.580 3.805 20 0 GHADLP COC[C@@H]1COCCC12CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256546436 1043507311 /nfs/dbraw/zinc/50/73/11/1043507311.db2.gz LOICNEDQBLVKGX-MZYLBHOOSA-N 2 2 386.580 3.805 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256554111 1043522734 /nfs/dbraw/zinc/52/27/34/1043522734.db2.gz NRJWQRJAZZZRSU-WIYYLYMNSA-N 2 2 384.955 3.910 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256554111 1043522744 /nfs/dbraw/zinc/52/27/44/1043522744.db2.gz NRJWQRJAZZZRSU-WIYYLYMNSA-N 2 2 384.955 3.910 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256556931 1043528044 /nfs/dbraw/zinc/52/80/44/1043528044.db2.gz JFWWVEVDFXPQJX-BAGYTPMASA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256556931 1043528054 /nfs/dbraw/zinc/52/80/54/1043528054.db2.gz JFWWVEVDFXPQJX-BAGYTPMASA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256556931 1043528055 /nfs/dbraw/zinc/52/80/55/1043528055.db2.gz JFWWVEVDFXPQJX-BAGYTPMASA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256556931 1043528065 /nfs/dbraw/zinc/52/80/65/1043528065.db2.gz JFWWVEVDFXPQJX-BAGYTPMASA-N 2 2 380.536 3.681 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCCN(C(=O)c3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256561647 1043537255 /nfs/dbraw/zinc/53/72/55/1043537255.db2.gz ZBWZMINECPDZRZ-QPPBQGQZSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCCN(C(=O)c3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256561647 1043537258 /nfs/dbraw/zinc/53/72/58/1043537258.db2.gz ZBWZMINECPDZRZ-QPPBQGQZSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+]2CCCN(C(=O)c3ccccc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256561647 1043537260 /nfs/dbraw/zinc/53/72/60/1043537260.db2.gz ZBWZMINECPDZRZ-QPPBQGQZSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+]2CCCN(C(=O)c3ccccc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256561647 1043537266 /nfs/dbraw/zinc/53/72/66/1043537266.db2.gz ZBWZMINECPDZRZ-QPPBQGQZSA-N 2 2 391.559 3.888 20 0 GHADLP C[N@H+](C1CCN(Cc2ccncc2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256588940 1043557701 /nfs/dbraw/zinc/55/77/01/1043557701.db2.gz NVLYZZDGJGKXHE-UHFFFAOYSA-N 2 2 378.564 3.642 20 0 GHADLP C[N@@H+](C1CCN(Cc2ccncc2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256588940 1043557708 /nfs/dbraw/zinc/55/77/08/1043557708.db2.gz NVLYZZDGJGKXHE-UHFFFAOYSA-N 2 2 378.564 3.642 20 0 GHADLP COc1ccc(CC2([NH3+])CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC001256602071 1043566015 /nfs/dbraw/zinc/56/60/15/1043566015.db2.gz OXGNVNXROFTFLD-UHFFFAOYSA-N 3 2 393.575 3.696 20 0 GHADLP O=C1C[C@@H]2[C@H](CC[N@@H+]2C2CC[NH+](Cc3ccccc3)CC2)N1c1ccsc1 ZINC001256606671 1043571240 /nfs/dbraw/zinc/57/12/40/1043571240.db2.gz WWXPZYJBSQUVGD-LEWJYISDSA-N 2 2 381.545 3.592 20 0 GHADLP O=C1C[C@@H]2[C@H](CC[N@H+]2C2CC[NH+](Cc3ccccc3)CC2)N1c1ccsc1 ZINC001256606671 1043571257 /nfs/dbraw/zinc/57/12/57/1043571257.db2.gz WWXPZYJBSQUVGD-LEWJYISDSA-N 2 2 381.545 3.592 20 0 GHADLP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256608510 1043572007 /nfs/dbraw/zinc/57/20/07/1043572007.db2.gz AANJBMDXNWMBQP-BJKOFHAPSA-N 2 2 391.559 3.775 20 0 GHADLP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256608510 1043572016 /nfs/dbraw/zinc/57/20/16/1043572016.db2.gz AANJBMDXNWMBQP-BJKOFHAPSA-N 2 2 391.559 3.775 20 0 GHADLP CCOC(=O)c1coc(C2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC001256612415 1043575454 /nfs/dbraw/zinc/57/54/54/1043575454.db2.gz ICUCMFITESKTHU-UHFFFAOYSA-N 2 2 397.519 3.695 20 0 GHADLP COc1cccc2c1CC[C@@H]([NH2+]CCSCc1csc(C[NH+](C)C)n1)C2 ZINC001256634456 1043584107 /nfs/dbraw/zinc/58/41/07/1043584107.db2.gz BOCKKNUJJDSGLB-MRXNPFEDSA-N 2 2 391.606 3.594 20 0 GHADLP FC1(F)C[N@H+](C2CCC([NH+]3CCOCC3)CC2)CC[C@@H]1Cc1ccccc1 ZINC001256698575 1043629005 /nfs/dbraw/zinc/62/90/05/1043629005.db2.gz CJFADHALUGZVBS-QNGMFEMESA-N 2 2 378.507 3.830 20 0 GHADLP FC1(F)C[N@H+](C2CCC([NH+]3CCOCC3)CC2)CC[C@H]1Cc1ccccc1 ZINC001256698574 1043629618 /nfs/dbraw/zinc/62/96/18/1043629618.db2.gz CJFADHALUGZVBS-MWXLCCTBSA-N 2 2 378.507 3.830 20 0 GHADLP C[C@H](Cc1ccncc1)[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001256739288 1043642830 /nfs/dbraw/zinc/64/28/30/1043642830.db2.gz AWCNNXYTYGKQET-WIYYLYMNSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@H](Cc1ccncc1)[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001256739288 1043642833 /nfs/dbraw/zinc/64/28/33/1043642833.db2.gz AWCNNXYTYGKQET-WIYYLYMNSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@H](Cc1ccncc1)[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001256739288 1043642839 /nfs/dbraw/zinc/64/28/39/1043642839.db2.gz AWCNNXYTYGKQET-WIYYLYMNSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@H](Cc1ccncc1)[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001256739288 1043642842 /nfs/dbraw/zinc/64/28/42/1043642842.db2.gz AWCNNXYTYGKQET-WIYYLYMNSA-N 2 2 386.490 3.641 20 0 GHADLP [NH3+]C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Br)cc1 ZINC001256798653 1043658340 /nfs/dbraw/zinc/65/83/40/1043658340.db2.gz JUYLCHGRGATIKW-GBESFXJTSA-N 2 2 375.310 3.959 20 0 GHADLP CC(C)[NH+]1CCC([NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)CC1 ZINC001257217767 1043940481 /nfs/dbraw/zinc/94/04/81/1043940481.db2.gz PWZMJCHETDKYIB-UHFFFAOYSA-N 2 2 389.609 3.939 20 0 GHADLP COc1ccc(C[C@@H](C)[N@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001257268560 1043949777 /nfs/dbraw/zinc/94/97/77/1043949777.db2.gz NFBZFOFPBZFATH-YKSBVNFPSA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccc(C[C@@H](C)[N@@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001257268560 1043949782 /nfs/dbraw/zinc/94/97/82/1043949782.db2.gz NFBZFOFPBZFATH-YKSBVNFPSA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccc(C[C@@H](C)[NH+](C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001257268560 1043949784 /nfs/dbraw/zinc/94/97/84/1043949784.db2.gz NFBZFOFPBZFATH-YKSBVNFPSA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccc(C[C@@H](C)[NH+](C)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001257268560 1043949786 /nfs/dbraw/zinc/94/97/86/1043949786.db2.gz NFBZFOFPBZFATH-YKSBVNFPSA-N 2 2 382.548 3.849 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257817122 1044198013 /nfs/dbraw/zinc/19/80/13/1044198013.db2.gz WKOOZJMICDTVKB-NQIIRXRSSA-N 2 2 376.545 3.775 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257817122 1044198016 /nfs/dbraw/zinc/19/80/16/1044198016.db2.gz WKOOZJMICDTVKB-NQIIRXRSSA-N 2 2 376.545 3.775 20 0 GHADLP COC(=O)C1CCC([NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)CC1 ZINC001257863699 1044229415 /nfs/dbraw/zinc/22/94/15/1044229415.db2.gz AKYFLQNCZMMRTA-UHFFFAOYSA-N 2 2 379.460 3.725 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC001258144069 1044431466 /nfs/dbraw/zinc/43/14/66/1044431466.db2.gz RROWONSAXPNUCC-LOSJGSFVSA-N 2 2 393.575 3.944 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC001258144069 1044431474 /nfs/dbraw/zinc/43/14/74/1044431474.db2.gz RROWONSAXPNUCC-LOSJGSFVSA-N 2 2 393.575 3.944 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@@H+]3C[C@H]4CCN(Cc5ccccc5)[C@@H]4C3)CC2)cc1 ZINC001258146068 1044434799 /nfs/dbraw/zinc/43/47/99/1044434799.db2.gz QYQDLRVKZXQDGC-AOYPEHQESA-N 2 2 389.587 3.900 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@H+]3C[C@H]4CCN(Cc5ccccc5)[C@@H]4C3)CC2)cc1 ZINC001258146068 1044434808 /nfs/dbraw/zinc/43/48/08/1044434808.db2.gz QYQDLRVKZXQDGC-AOYPEHQESA-N 2 2 389.587 3.900 20 0 GHADLP COc1ccc(CC[C@@H](C)[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc1 ZINC001258401255 1044537747 /nfs/dbraw/zinc/53/77/47/1044537747.db2.gz NKQOJGWVFZVGIL-HXUWFJFHSA-N 2 2 398.547 3.976 20 0 GHADLP COc1ccc(CC[C@@H](C)[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc1 ZINC001258401255 1044537764 /nfs/dbraw/zinc/53/77/64/1044537764.db2.gz NKQOJGWVFZVGIL-HXUWFJFHSA-N 2 2 398.547 3.976 20 0 GHADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258595160 1044664407 /nfs/dbraw/zinc/66/44/07/1044664407.db2.gz YYWOIOTVZPGVMO-QFIPXVFZSA-N 2 2 383.580 3.907 20 0 GHADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258595160 1044664421 /nfs/dbraw/zinc/66/44/21/1044664421.db2.gz YYWOIOTVZPGVMO-QFIPXVFZSA-N 2 2 383.580 3.907 20 0 GHADLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)OC(C)(C)C ZINC001258900567 1044856193 /nfs/dbraw/zinc/85/61/93/1044856193.db2.gz OYKFYJJMEDCGSE-PXNSSMCTSA-N 2 2 378.557 3.745 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)ccn12 ZINC001261550164 1046024470 /nfs/dbraw/zinc/02/44/70/1046024470.db2.gz QFGXBOBCMYWDGH-FRIKZZABSA-N 2 2 388.515 3.958 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)ccn12 ZINC001261550164 1046024487 /nfs/dbraw/zinc/02/44/87/1046024487.db2.gz QFGXBOBCMYWDGH-FRIKZZABSA-N 2 2 388.515 3.958 20 0 GHADLP CC[NH+](CC)CC[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC001263800725 1047140987 /nfs/dbraw/zinc/14/09/87/1047140987.db2.gz AVLDTGUVHGYMBD-HXUWFJFHSA-N 2 2 383.540 3.772 20 0 GHADLP CC[NH+](CC)CC[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC001263800725 1047140991 /nfs/dbraw/zinc/14/09/91/1047140991.db2.gz AVLDTGUVHGYMBD-HXUWFJFHSA-N 2 2 383.540 3.772 20 0 GHADLP CCn1ccnc1C[N@@H+]1CCCC2(CC[NH+](Cc3cnc(Cl)s3)CC2)C1 ZINC001279278074 1047754836 /nfs/dbraw/zinc/75/48/36/1047754836.db2.gz SMWUMDXLEATZSZ-UHFFFAOYSA-N 2 2 393.988 3.891 20 0 GHADLP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3cc(F)c(Cl)cc3F)CC2)C1 ZINC001279302640 1047760605 /nfs/dbraw/zinc/76/06/05/1047760605.db2.gz JBEQFKSRCCVEBK-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3cc(F)c(Cl)cc3F)CC2)C1 ZINC001279302640 1047760612 /nfs/dbraw/zinc/76/06/12/1047760612.db2.gz JBEQFKSRCCVEBK-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP Brc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)nc1 ZINC001279391434 1047791649 /nfs/dbraw/zinc/79/16/49/1047791649.db2.gz FCHASZIHZPWYOS-UHFFFAOYSA-N 2 2 389.341 3.660 20 0 GHADLP Brc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)nc1 ZINC001279391434 1047791656 /nfs/dbraw/zinc/79/16/56/1047791656.db2.gz FCHASZIHZPWYOS-UHFFFAOYSA-N 2 2 389.341 3.660 20 0 GHADLP Fc1cc(C[N@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)ccc1Cl ZINC001279396938 1047792812 /nfs/dbraw/zinc/79/28/12/1047792812.db2.gz IOPDZJLSWIJGFS-HDICACEKSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1cc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)ccc1Cl ZINC001279396938 1047792817 /nfs/dbraw/zinc/79/28/17/1047792817.db2.gz IOPDZJLSWIJGFS-HDICACEKSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1cc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)ccc1Cl ZINC001279396938 1047792822 /nfs/dbraw/zinc/79/28/22/1047792822.db2.gz IOPDZJLSWIJGFS-HDICACEKSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1cc(C[NH+]2C[C@@H]3CC[N@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)ccc1Cl ZINC001279396938 1047792827 /nfs/dbraw/zinc/79/28/27/1047792827.db2.gz IOPDZJLSWIJGFS-HDICACEKSA-N 3 2 376.907 3.520 20 0 GHADLP Cc1ncsc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ncc(F)cc3F)(C1)CCC2 ZINC001279568713 1047841398 /nfs/dbraw/zinc/84/13/98/1047841398.db2.gz RWXFEVBCCTZVKP-MOPGFXCFSA-N 2 2 378.492 3.850 20 0 GHADLP O=c1cccc(C[N@@H+]2CCC[C@]3(CCC[NH+](CC4CCSCC4)C3)C2)[nH]1 ZINC001279644341 1047887849 /nfs/dbraw/zinc/88/78/49/1047887849.db2.gz HPMXXLMVKGCADC-NRFANRHFSA-N 2 2 375.582 3.608 20 0 GHADLP O=c1cccc(C[N@H+]2CCC[C@]3(CCC[NH+](CC4CCSCC4)C3)C2)[nH]1 ZINC001279644341 1047887865 /nfs/dbraw/zinc/88/78/65/1047887865.db2.gz HPMXXLMVKGCADC-NRFANRHFSA-N 2 2 375.582 3.608 20 0 GHADLP O=c1cccc(C[NH+]2CCC[C@]3(CCC[N@H+](CC4CCSCC4)C3)C2)[nH]1 ZINC001279644341 1047887882 /nfs/dbraw/zinc/88/78/82/1047887882.db2.gz HPMXXLMVKGCADC-NRFANRHFSA-N 2 2 375.582 3.608 20 0 GHADLP O=c1cccc(C[NH+]2CCC[C@]3(CCC[N@@H+](CC4CCSCC4)C3)C2)[nH]1 ZINC001279644341 1047887897 /nfs/dbraw/zinc/88/78/97/1047887897.db2.gz HPMXXLMVKGCADC-NRFANRHFSA-N 2 2 375.582 3.608 20 0 GHADLP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)ncc3O)C[C@H]2CC1 ZINC001279682947 1047912919 /nfs/dbraw/zinc/91/29/19/1047912919.db2.gz LSTMDLTVWPGIAD-GASCZTMLSA-N 2 2 392.956 3.550 20 0 GHADLP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)ncc3O)C[C@H]2CC1 ZINC001279682947 1047912921 /nfs/dbraw/zinc/91/29/21/1047912921.db2.gz LSTMDLTVWPGIAD-GASCZTMLSA-N 2 2 392.956 3.550 20 0 GHADLP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ncc3O)C[C@H]2CC1 ZINC001279682947 1047912922 /nfs/dbraw/zinc/91/29/22/1047912922.db2.gz LSTMDLTVWPGIAD-GASCZTMLSA-N 2 2 392.956 3.550 20 0 GHADLP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3cc(Cl)ncc3O)C[C@H]2CC1 ZINC001279682947 1047912925 /nfs/dbraw/zinc/91/29/25/1047912925.db2.gz LSTMDLTVWPGIAD-GASCZTMLSA-N 2 2 392.956 3.550 20 0 GHADLP Cc1ncsc1C[NH2+][C@@]12CC[C@@]([NH2+]CC(=O)c3cccs3)(C1)CCC2 ZINC001280035912 1048058852 /nfs/dbraw/zinc/05/88/52/1048058852.db2.gz KKYCCYPBCCYCHN-MOPGFXCFSA-N 2 2 375.563 3.921 20 0 GHADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001306831129 1048919122 /nfs/dbraw/zinc/91/91/22/1048919122.db2.gz DETCWQQHOQKISW-MRXNPFEDSA-N 2 2 386.462 3.539 20 0 GHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H]3CN(C4CCCCC4)C(=O)O3)C2)CC1 ZINC001307440812 1049277191 /nfs/dbraw/zinc/27/71/91/1049277191.db2.gz TYJAYRHOVMAFFN-CTNGQTDRSA-N 2 2 377.573 3.584 20 0 GHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3CN(C4CCCCC4)C(=O)O3)C2)CC1 ZINC001307440812 1049277201 /nfs/dbraw/zinc/27/72/01/1049277201.db2.gz TYJAYRHOVMAFFN-CTNGQTDRSA-N 2 2 377.573 3.584 20 0 GHADLP CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001307585043 1049423843 /nfs/dbraw/zinc/42/38/43/1049423843.db2.gz CJXXAYDNUCBUKX-UHFFFAOYSA-N 2 2 381.564 3.519 20 0 GHADLP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001290006209 1049706685 /nfs/dbraw/zinc/70/66/85/1049706685.db2.gz LHYZIYHTSDLUOQ-HXUWFJFHSA-N 2 2 383.580 3.738 20 0 GHADLP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC001290006209 1049706694 /nfs/dbraw/zinc/70/66/94/1049706694.db2.gz LHYZIYHTSDLUOQ-HXUWFJFHSA-N 2 2 383.580 3.738 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC001308165161 1049895887 /nfs/dbraw/zinc/89/58/87/1049895887.db2.gz LBBJXMANNIYESM-WIYYLYMNSA-N 2 2 380.536 3.837 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC001308165161 1049895891 /nfs/dbraw/zinc/89/58/91/1049895891.db2.gz LBBJXMANNIYESM-WIYYLYMNSA-N 2 2 380.536 3.837 20 0 GHADLP Cc1ccc(C(=O)NCC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cc1F ZINC001308193563 1049907678 /nfs/dbraw/zinc/90/76/78/1049907678.db2.gz HRGODZSXENTETH-FQEVSTJZSA-N 2 2 383.511 3.507 20 0 GHADLP Cc1ccc(C(=O)NCC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1F ZINC001308193563 1049907681 /nfs/dbraw/zinc/90/76/81/1049907681.db2.gz HRGODZSXENTETH-FQEVSTJZSA-N 2 2 383.511 3.507 20 0 GHADLP CC(C)COC(=O)N1CCC([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CC1 ZINC001308412647 1049970193 /nfs/dbraw/zinc/97/01/93/1049970193.db2.gz BKIVXIFNFMRZPC-UHFFFAOYSA-N 2 2 387.568 3.888 20 0 GHADLP CC(C)COC(=O)N1CCC([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC001308412647 1049970195 /nfs/dbraw/zinc/97/01/95/1049970195.db2.gz BKIVXIFNFMRZPC-UHFFFAOYSA-N 2 2 387.568 3.888 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)C1CC1 ZINC001308708384 1050066701 /nfs/dbraw/zinc/06/67/01/1050066701.db2.gz DGMGARYMYUHGGG-NSQNTRMNSA-N 3 2 385.596 3.520 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)C1CC1 ZINC001308708384 1050066705 /nfs/dbraw/zinc/06/67/05/1050066705.db2.gz DGMGARYMYUHGGG-NSQNTRMNSA-N 3 2 385.596 3.520 20 0 GHADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2C2CCCCC2)C1 ZINC001308913991 1050162201 /nfs/dbraw/zinc/16/22/01/1050162201.db2.gz IDALMYGXNAVKMB-VABKMULXSA-N 2 2 377.617 3.512 20 0 GHADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+][C@H]2CCCC[C@H]2C2CCCCC2)C1 ZINC001308913992 1050162261 /nfs/dbraw/zinc/16/22/61/1050162261.db2.gz IDALMYGXNAVKMB-VJBWXMMDSA-N 2 2 377.617 3.512 20 0 GHADLP CN1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC001330080920 1050953553 /nfs/dbraw/zinc/95/35/53/1050953553.db2.gz HBICZMOCORXVAG-BJKOFHAPSA-N 2 2 381.539 3.868 20 0 GHADLP C[N@@H+]1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC001330080920 1050953554 /nfs/dbraw/zinc/95/35/54/1050953554.db2.gz HBICZMOCORXVAG-BJKOFHAPSA-N 2 2 381.539 3.868 20 0 GHADLP C[N@H+]1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC001330080920 1050953555 /nfs/dbraw/zinc/95/35/55/1050953555.db2.gz HBICZMOCORXVAG-BJKOFHAPSA-N 2 2 381.539 3.868 20 0 GHADLP C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001312183177 1052622723 /nfs/dbraw/zinc/62/27/23/1052622723.db2.gz YSDLKWKMMFCGDG-KRWDZBQOSA-N 2 2 381.524 3.640 20 0 GHADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001312796611 1052873352 /nfs/dbraw/zinc/87/33/52/1052873352.db2.gz HIXBZGMCVGBDSV-QZTJIDSGSA-N 2 2 377.577 3.648 20 0 GHADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001312796611 1052873355 /nfs/dbraw/zinc/87/33/55/1052873355.db2.gz HIXBZGMCVGBDSV-QZTJIDSGSA-N 2 2 377.577 3.648 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC001319179151 1055082322 /nfs/dbraw/zinc/08/23/22/1055082322.db2.gz ZFFUKZCVDZFCIS-CEMLEFRQSA-N 2 2 380.536 3.656 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC001319179151 1055082333 /nfs/dbraw/zinc/08/23/33/1055082333.db2.gz ZFFUKZCVDZFCIS-CEMLEFRQSA-N 2 2 380.536 3.656 20 0 GHADLP CN(C(=O)CC(C1CC1)C1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001319486147 1055280008 /nfs/dbraw/zinc/28/00/08/1055280008.db2.gz JEONQJPKNJMKRS-FGZHOGPDSA-N 2 2 375.601 3.608 20 0 GHADLP CN(C(=O)CC(C1CC1)C1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001319486147 1055280022 /nfs/dbraw/zinc/28/00/22/1055280022.db2.gz JEONQJPKNJMKRS-FGZHOGPDSA-N 2 2 375.601 3.608 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)[nH+]1 ZINC001319489110 1055285275 /nfs/dbraw/zinc/28/52/75/1055285275.db2.gz GWNUWFIILOKKSN-FXAWDEMLSA-N 2 2 384.499 3.625 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)[nH+]1 ZINC001319489110 1055285287 /nfs/dbraw/zinc/28/52/87/1055285287.db2.gz GWNUWFIILOKKSN-FXAWDEMLSA-N 2 2 384.499 3.625 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(OC(F)F)cc3OC(F)F)CC[C@H]21 ZINC001319729752 1055428824 /nfs/dbraw/zinc/42/88/24/1055428824.db2.gz ZRESCLNREUTAFQ-SWLSCSKDSA-N 2 2 376.394 3.806 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(OC(F)F)cc3OC(F)F)CC[C@H]21 ZINC001319729752 1055428830 /nfs/dbraw/zinc/42/88/30/1055428830.db2.gz ZRESCLNREUTAFQ-SWLSCSKDSA-N 2 2 376.394 3.806 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(OC(F)F)cc3OC(F)F)CC[C@H]21 ZINC001319729752 1055428835 /nfs/dbraw/zinc/42/88/35/1055428835.db2.gz ZRESCLNREUTAFQ-SWLSCSKDSA-N 2 2 376.394 3.806 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3OC(F)F)CC[C@H]21 ZINC001319729752 1055428844 /nfs/dbraw/zinc/42/88/44/1055428844.db2.gz ZRESCLNREUTAFQ-SWLSCSKDSA-N 2 2 376.394 3.806 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(N(C)c2ccccc2)nc1 ZINC001322867202 1056872066 /nfs/dbraw/zinc/87/20/66/1056872066.db2.gz BVSSFXXGSRVOLX-UHFFFAOYSA-N 2 2 384.443 3.991 20 0 GHADLP CCCN(CC)C(=O)c1ccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001322870168 1056873948 /nfs/dbraw/zinc/87/39/48/1056873948.db2.gz YNZCKCJBMHAPLI-UHFFFAOYSA-N 2 2 391.475 3.700 20 0 GHADLP COc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc(OC)c1C(C)C ZINC001323611543 1056991004 /nfs/dbraw/zinc/99/10/04/1056991004.db2.gz CMQOFYKTUPIZDR-UHFFFAOYSA-N 2 2 380.448 3.969 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCc1nccc(C(F)(F)F)n1 ZINC001355085999 1057045400 /nfs/dbraw/zinc/04/54/00/1057045400.db2.gz WGHSIHNCUKDLLM-UHFFFAOYSA-N 2 2 375.398 3.664 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCc1nccc(C(F)(F)F)n1 ZINC001355085999 1057045404 /nfs/dbraw/zinc/04/54/04/1057045404.db2.gz WGHSIHNCUKDLLM-UHFFFAOYSA-N 2 2 375.398 3.664 20 0 GHADLP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cnn1C(C)(C)C ZINC001324406472 1057126536 /nfs/dbraw/zinc/12/65/36/1057126536.db2.gz BSJUQZBFZIGFHN-GOSISDBHSA-N 2 2 383.584 3.545 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3C)nc1)CCC2 ZINC000848520399 1057145398 /nfs/dbraw/zinc/14/53/98/1057145398.db2.gz IRTASCGMEJLKOR-FQEVSTJZSA-N 2 2 376.460 3.530 20 0 GHADLP COC(=O)/C=C/c1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000848885216 1057395436 /nfs/dbraw/zinc/39/54/36/1057395436.db2.gz RHRWGWQKHWFABG-KALAYHLKSA-N 2 2 382.504 3.951 20 0 GHADLP COC(=O)/C=C/c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000848885216 1057395438 /nfs/dbraw/zinc/39/54/38/1057395438.db2.gz RHRWGWQKHWFABG-KALAYHLKSA-N 2 2 382.504 3.951 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000848885216 1057395443 /nfs/dbraw/zinc/39/54/43/1057395443.db2.gz RHRWGWQKHWFABG-KALAYHLKSA-N 2 2 382.504 3.951 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000848885216 1057395449 /nfs/dbraw/zinc/39/54/49/1057395449.db2.gz RHRWGWQKHWFABG-KALAYHLKSA-N 2 2 382.504 3.951 20 0 GHADLP COC(=O)/C=C\c1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000848899028 1057407056 /nfs/dbraw/zinc/40/70/56/1057407056.db2.gz IZRYSHAHHYPCCD-XYBJCVHJSA-N 2 2 379.460 3.810 20 0 GHADLP CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001356371039 1057492011 /nfs/dbraw/zinc/49/20/11/1057492011.db2.gz BAJSJQFCVDMGPA-TZIWHRDSSA-N 2 2 396.583 3.556 20 0 GHADLP CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001356371039 1057492013 /nfs/dbraw/zinc/49/20/13/1057492013.db2.gz BAJSJQFCVDMGPA-TZIWHRDSSA-N 2 2 396.583 3.556 20 0 GHADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)cc1Cl ZINC001326857981 1057567777 /nfs/dbraw/zinc/56/77/77/1057567777.db2.gz HLQTUZVTVINOSL-FQEVSTJZSA-N 2 2 386.927 3.790 20 0 GHADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)cc1Cl ZINC001326857981 1057567785 /nfs/dbraw/zinc/56/77/85/1057567785.db2.gz HLQTUZVTVINOSL-FQEVSTJZSA-N 2 2 386.927 3.790 20 0 GHADLP CC(C)Oc1ccc([C@@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)[NH+](C)C)cc1 ZINC000849077925 1057583265 /nfs/dbraw/zinc/58/32/65/1057583265.db2.gz QFXUKYJYNUQMDG-LEWJYISDSA-N 2 2 396.535 3.714 20 0 GHADLP [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000849090905 1057589533 /nfs/dbraw/zinc/58/95/33/1057589533.db2.gz QAMBMVDPTPKLDD-UHFFFAOYSA-N 2 2 391.372 3.844 20 0 GHADLP CC(C)C[C@@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC001443101889 1059066236 /nfs/dbraw/zinc/06/62/36/1059066236.db2.gz IXUXNUSKTIHAGD-QFIPXVFZSA-N 2 2 382.552 3.841 20 0 GHADLP CC(C)C[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC001443101889 1059066261 /nfs/dbraw/zinc/06/62/61/1059066261.db2.gz IXUXNUSKTIHAGD-QFIPXVFZSA-N 2 2 382.552 3.841 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2[NH2+]CCOc3ccccc32)c1 ZINC001340174140 1059742269 /nfs/dbraw/zinc/74/22/69/1059742269.db2.gz ZNGMMGOZKRPOKT-NRFANRHFSA-N 2 2 390.487 3.717 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H](c3ccncc3)C3CCCCC3)c2)CC1 ZINC001454648879 1061900162 /nfs/dbraw/zinc/90/01/62/1061900162.db2.gz AVEBIWDZTFMQDQ-JOCHJYFZSA-N 2 2 393.535 3.531 20 0 GHADLP Cn1cc[nH+]c1CCC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001348695074 1063284201 /nfs/dbraw/zinc/28/42/01/1063284201.db2.gz CYSOWQGWSWAAMJ-QHCPKHFHSA-N 2 2 394.563 3.502 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c2c1CCC2 ZINC001458870076 1063951928 /nfs/dbraw/zinc/95/19/28/1063951928.db2.gz AKVNANZJSGAUNS-RPWUZVMVSA-N 2 2 397.607 3.893 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2c1CCC2 ZINC001458870076 1063951934 /nfs/dbraw/zinc/95/19/34/1063951934.db2.gz AKVNANZJSGAUNS-RPWUZVMVSA-N 2 2 397.607 3.893 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](C)c3ccccc3)CC2)cc1 ZINC001459875160 1064252602 /nfs/dbraw/zinc/25/26/02/1064252602.db2.gz PTHZFOOSNOQCFK-HXUWFJFHSA-N 2 2 379.548 3.805 20 0 GHADLP Cc1cn(C(C)(C)C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)c[nH+]1 ZINC001465335318 1065551462 /nfs/dbraw/zinc/55/14/62/1065551462.db2.gz ZEKJLKZWKUHUCT-UHFFFAOYSA-N 2 2 394.563 3.974 20 0 GHADLP Cc1cn(C(C)(C)C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)c[nH+]1 ZINC001465335318 1065551475 /nfs/dbraw/zinc/55/14/75/1065551475.db2.gz ZEKJLKZWKUHUCT-UHFFFAOYSA-N 2 2 394.563 3.974 20 0 GHADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001353422142 1065943331 /nfs/dbraw/zinc/94/33/31/1065943331.db2.gz YJDMZWMXUZECSD-OALUTQOASA-N 2 2 389.588 3.505 20 0 GHADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001353422142 1065943335 /nfs/dbraw/zinc/94/33/35/1065943335.db2.gz YJDMZWMXUZECSD-OALUTQOASA-N 2 2 389.588 3.505 20 0 GHADLP CC1CC[NH+](CC[C@H]2CCCN2C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC001477604731 1078487591 /nfs/dbraw/zinc/48/75/91/1078487591.db2.gz FKSAPFYZFZQTLP-OAQYLSRUSA-N 2 2 395.551 3.668 20 0 GHADLP C[C@@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC001357800076 1067278505 /nfs/dbraw/zinc/27/85/05/1067278505.db2.gz ZZJUQJJJUQDFNG-KKSFZXQISA-N 2 2 385.939 3.506 20 0 GHADLP C[C@@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC001357800076 1067278512 /nfs/dbraw/zinc/27/85/12/1067278512.db2.gz ZZJUQJJJUQDFNG-KKSFZXQISA-N 2 2 385.939 3.506 20 0 GHADLP COc1cc2c(cc1CNc1ccc(N3CCC([NH+](C)C)CC3)c[nH+]1)O[C@H](C)C2 ZINC000533187482 1067663418 /nfs/dbraw/zinc/66/34/18/1067663418.db2.gz DIIILIIVURTUHO-MRXNPFEDSA-N 2 2 396.535 3.556 20 0 GHADLP CC(C)c1cc(NCCCC[NH+]2CCN(c3ncccn3)CC2)nc(C(C)C)[nH+]1 ZINC000534881546 1067686268 /nfs/dbraw/zinc/68/62/68/1067686268.db2.gz OEPRXRRUOSZUKT-UHFFFAOYSA-N 2 2 397.571 3.528 20 0 GHADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001468360073 1067702606 /nfs/dbraw/zinc/70/26/06/1067702606.db2.gz QXWUSNQPWKJBLT-XZOQPEGZSA-N 2 2 397.538 3.580 20 0 GHADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001468360073 1067702610 /nfs/dbraw/zinc/70/26/10/1067702610.db2.gz QXWUSNQPWKJBLT-XZOQPEGZSA-N 2 2 397.538 3.580 20 0 GHADLP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001470176676 1068611410 /nfs/dbraw/zinc/61/14/10/1068611410.db2.gz GYDRUXUAOFGFQN-RTWAWAEBSA-N 2 2 389.971 3.828 20 0 GHADLP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001470176676 1068611417 /nfs/dbraw/zinc/61/14/17/1068611417.db2.gz GYDRUXUAOFGFQN-RTWAWAEBSA-N 2 2 389.971 3.828 20 0 GHADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001470176676 1068611424 /nfs/dbraw/zinc/61/14/24/1068611424.db2.gz GYDRUXUAOFGFQN-RTWAWAEBSA-N 2 2 389.971 3.828 20 0 GHADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001470176676 1068611426 /nfs/dbraw/zinc/61/14/26/1068611426.db2.gz GYDRUXUAOFGFQN-RTWAWAEBSA-N 2 2 389.971 3.828 20 0 GHADLP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001478183189 1078756704 /nfs/dbraw/zinc/75/67/04/1078756704.db2.gz QFPAWFIHDWUZFE-OAQYLSRUSA-N 2 2 391.519 3.530 20 0 GHADLP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001478183189 1078756709 /nfs/dbraw/zinc/75/67/09/1078756709.db2.gz QFPAWFIHDWUZFE-OAQYLSRUSA-N 2 2 391.519 3.530 20 0 GHADLP C[C@@H](NC(=O)C[NH+]1CCC(c2c[nH+]cn2C)CC1)c1ccc(Cl)cc1Cl ZINC001460966836 1069302593 /nfs/dbraw/zinc/30/25/93/1069302593.db2.gz WAEKRHNAWXAFDH-CYBMUJFWSA-N 2 2 395.334 3.784 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC001470700211 1072691858 /nfs/dbraw/zinc/69/18/58/1072691858.db2.gz CSXZTFVZXOGBDG-OAQYLSRUSA-N 2 2 392.563 3.582 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCCC[N@@H+](C)CC(C)C)CC1 ZINC001470700211 1072691861 /nfs/dbraw/zinc/69/18/61/1072691861.db2.gz CSXZTFVZXOGBDG-OAQYLSRUSA-N 2 2 392.563 3.582 20 0 GHADLP CC[NH+](CC)CC[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC001471587320 1073147920 /nfs/dbraw/zinc/14/79/20/1073147920.db2.gz OCZFTIIKDZIPOR-RTWAWAEBSA-N 2 2 397.567 3.782 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001471709677 1073191594 /nfs/dbraw/zinc/19/15/94/1073191594.db2.gz VALOZHXDVXFDTI-CEWLAPEOSA-N 2 2 375.532 3.541 20 0 GHADLP OC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC001472692205 1073621898 /nfs/dbraw/zinc/62/18/98/1073621898.db2.gz OGXRJZOOFFOZFL-QGZVFWFLSA-N 2 2 385.817 3.609 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC001473768149 1074132410 /nfs/dbraw/zinc/13/24/10/1074132410.db2.gz WURYBUHGPBBCPW-NRFANRHFSA-N 2 2 376.460 3.638 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC001473768149 1074132412 /nfs/dbraw/zinc/13/24/12/1074132412.db2.gz WURYBUHGPBBCPW-NRFANRHFSA-N 2 2 376.460 3.638 20 0 GHADLP Cc1csc(C[C@@H]2CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC001473824675 1074161867 /nfs/dbraw/zinc/16/18/67/1074161867.db2.gz PNEVAKYSNZHRRP-LEWJYISDSA-N 2 2 385.577 3.607 20 0 GHADLP Cc1csc(C[C@@H]2CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC001473824675 1074161871 /nfs/dbraw/zinc/16/18/71/1074161871.db2.gz PNEVAKYSNZHRRP-LEWJYISDSA-N 2 2 385.577 3.607 20 0 GHADLP Cc1csc(C[C@@H]2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC001473824675 1074161873 /nfs/dbraw/zinc/16/18/73/1074161873.db2.gz PNEVAKYSNZHRRP-LEWJYISDSA-N 2 2 385.577 3.607 20 0 GHADLP Cc1csc(C[C@@H]2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC001473824675 1074161875 /nfs/dbraw/zinc/16/18/75/1074161875.db2.gz PNEVAKYSNZHRRP-LEWJYISDSA-N 2 2 385.577 3.607 20 0 GHADLP C[C@@](CO)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Br)c1 ZINC001473866651 1074181521 /nfs/dbraw/zinc/18/15/21/1074181521.db2.gz ZTFOKWXFJNUKPZ-IBGZPJMESA-N 2 2 386.293 3.632 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCOCC34CCCC4)CC2)cc1 ZINC001473893628 1074193342 /nfs/dbraw/zinc/19/33/42/1074193342.db2.gz SWIFROWJRDFFTD-NRFANRHFSA-N 2 2 391.987 3.791 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)nn2)C1 ZINC001473897831 1074194927 /nfs/dbraw/zinc/19/49/27/1074194927.db2.gz PFLJSALBIOHLFC-AWEZNQCLSA-N 2 2 397.445 3.749 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)nn2)C1 ZINC001473897831 1074194929 /nfs/dbraw/zinc/19/49/29/1074194929.db2.gz PFLJSALBIOHLFC-AWEZNQCLSA-N 2 2 397.445 3.749 20 0 GHADLP C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473898335 1074195840 /nfs/dbraw/zinc/19/58/40/1074195840.db2.gz XCTWUDRNOZAFQR-WMZOPIPTSA-N 2 2 386.515 3.662 20 0 GHADLP C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473898335 1074195843 /nfs/dbraw/zinc/19/58/43/1074195843.db2.gz XCTWUDRNOZAFQR-WMZOPIPTSA-N 2 2 386.515 3.662 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC001474041077 1074245532 /nfs/dbraw/zinc/24/55/32/1074245532.db2.gz JZEMDXVSRWDATO-UHFFFAOYSA-N 2 2 384.568 3.527 20 0 GHADLP Cc1ccccc1C(=O)N1CCC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC001474246753 1074308540 /nfs/dbraw/zinc/30/85/40/1074308540.db2.gz FMHIAZURCFUBPX-HSZRJFAPSA-N 2 2 388.515 3.827 20 0 GHADLP C[C@@H](C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001474473231 1074423002 /nfs/dbraw/zinc/42/30/02/1074423002.db2.gz LFFGWFHWDQFURU-IBGZPJMESA-N 2 2 392.609 3.830 20 0 GHADLP COc1c(Br)cccc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001474686078 1074514390 /nfs/dbraw/zinc/51/43/90/1074514390.db2.gz LASKBHOTURYIMP-AWEZNQCLSA-N 2 2 376.298 3.563 20 0 GHADLP COc1c(Br)cccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001474686078 1074514396 /nfs/dbraw/zinc/51/43/96/1074514396.db2.gz LASKBHOTURYIMP-AWEZNQCLSA-N 2 2 376.298 3.563 20 0 GHADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC001474690079 1074517046 /nfs/dbraw/zinc/51/70/46/1074517046.db2.gz LTNOQOXNUCZGDV-CDHQVMDDSA-N 2 2 391.506 3.703 20 0 GHADLP c1ccc2c(c1)CO[C@]21CC[NH+](CCC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)C1 ZINC000248716657 570289243 /nfs/dbraw/zinc/28/92/43/570289243.db2.gz NTPLBOVQMJSJBJ-DQEYMECFSA-N 2 2 390.527 3.639 20 0 GHADLP c1ccc2c(c1)CO[C@]21CC[NH+](CCC[N@H+]2CC[C@@]3(C2)OCc2ccccc23)C1 ZINC000248716657 570289244 /nfs/dbraw/zinc/28/92/44/570289244.db2.gz NTPLBOVQMJSJBJ-DQEYMECFSA-N 2 2 390.527 3.639 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3cc(OC)ccc3[nH+]1)C2 ZINC001164807972 720116476 /nfs/dbraw/zinc/11/64/76/720116476.db2.gz DCNAIJQBKALNEU-NTKDMRAZSA-N 2 2 395.547 3.737 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3cc(OC)ccc3[nH+]1)C2 ZINC001164807972 720116478 /nfs/dbraw/zinc/11/64/78/720116478.db2.gz DCNAIJQBKALNEU-NTKDMRAZSA-N 2 2 395.547 3.737 20 0 GHADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2cc1OC ZINC001164729073 720391498 /nfs/dbraw/zinc/39/14/98/720391498.db2.gz UYQNNPPUUMABSX-UXHICEINSA-N 2 2 390.487 3.500 20 0 GHADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2cc1OC ZINC001164729073 720391502 /nfs/dbraw/zinc/39/15/02/720391502.db2.gz UYQNNPPUUMABSX-UXHICEINSA-N 2 2 390.487 3.500 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C(C)C)c[nH+]3)C2)C1 ZINC001164776337 721352116 /nfs/dbraw/zinc/35/21/16/721352116.db2.gz AQMLOHWQNYGKPH-QHCPKHFHSA-N 2 2 398.551 3.929 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C(C)C)c[nH+]3)C2)C1 ZINC001164776337 721352120 /nfs/dbraw/zinc/35/21/20/721352120.db2.gz AQMLOHWQNYGKPH-QHCPKHFHSA-N 2 2 398.551 3.929 20 0 GHADLP c1csc(C[N@H+]2C[C@H]3CN(c4[nH+]cnc5c4ccn5C4CCCC4)C[C@H]3C2)n1 ZINC001164781158 721413108 /nfs/dbraw/zinc/41/31/08/721413108.db2.gz CEHSTMYUZVPKPU-IYBDPMFKSA-N 2 2 394.548 3.571 20 0 GHADLP c1csc(C[N@@H+]2C[C@H]3CN(c4[nH+]cnc5c4ccn5C4CCCC4)C[C@H]3C2)n1 ZINC001164781158 721413110 /nfs/dbraw/zinc/41/31/10/721413110.db2.gz CEHSTMYUZVPKPU-IYBDPMFKSA-N 2 2 394.548 3.571 20 0 GHADLP COc1ccc(C)[nH+]c1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939866 721926081 /nfs/dbraw/zinc/92/60/81/721926081.db2.gz OQGDEKNZQTXTCZ-UHFFFAOYSA-N 2 2 381.520 3.578 20 0 GHADLP COc1ccc(C)[nH+]c1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939866 721926082 /nfs/dbraw/zinc/92/60/82/721926082.db2.gz OQGDEKNZQTXTCZ-UHFFFAOYSA-N 2 2 381.520 3.578 20 0 GHADLP C[C@@H](C(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000511463749 837481368 /nfs/dbraw/zinc/48/13/68/837481368.db2.gz RGJJQIAZAWOEAV-KSZLIROESA-N 2 2 377.960 3.636 20 0 GHADLP C[C@@H](C(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000511463749 837481371 /nfs/dbraw/zinc/48/13/71/837481371.db2.gz RGJJQIAZAWOEAV-KSZLIROESA-N 2 2 377.960 3.636 20 0 GHADLP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000511463749 837481378 /nfs/dbraw/zinc/48/13/78/837481378.db2.gz RGJJQIAZAWOEAV-KSZLIROESA-N 2 2 377.960 3.636 20 0 GHADLP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000511463749 837481384 /nfs/dbraw/zinc/48/13/84/837481384.db2.gz RGJJQIAZAWOEAV-KSZLIROESA-N 2 2 377.960 3.636 20 0 GHADLP COc1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccc(C)cc2)cc1 ZINC000655703844 837693278 /nfs/dbraw/zinc/69/32/78/837693278.db2.gz WNKKDNUFKFVAMO-VWNXMTODSA-N 2 2 380.532 3.936 20 0 GHADLP COc1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccc(F)cc2)cc1 ZINC000655703418 837698710 /nfs/dbraw/zinc/69/87/10/837698710.db2.gz PWJIOVKOCJBZHG-GGAORHGYSA-N 2 2 384.495 3.767 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000579724132 834446728 /nfs/dbraw/zinc/44/67/28/834446728.db2.gz MKUFFQAKVAHMGF-ZDGVQAHHSA-N 2 2 396.000 3.567 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000579724132 834446734 /nfs/dbraw/zinc/44/67/34/834446734.db2.gz MKUFFQAKVAHMGF-ZDGVQAHHSA-N 2 2 396.000 3.567 20 0 GHADLP Fc1ccc(/C=C/C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000685441967 835011597 /nfs/dbraw/zinc/01/15/97/835011597.db2.gz OLCWNCDAQYRSAA-PTGVWUEVSA-N 2 2 379.523 3.731 20 0 GHADLP Fc1ccc(/C=C/C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000685441967 835011607 /nfs/dbraw/zinc/01/16/07/835011607.db2.gz OLCWNCDAQYRSAA-PTGVWUEVSA-N 2 2 379.523 3.731 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@]3(CCN(c4nc(N5CCCC5)cc[nH+]4)C3)C2)cc1 ZINC000080686010 835225334 /nfs/dbraw/zinc/22/53/34/835225334.db2.gz QBQZJPLQAVEWPM-QHCPKHFHSA-N 2 2 377.536 3.569 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@]3(CCN(c4nc(N5CCCC5)cc[nH+]4)C3)C2)cc1 ZINC000080686010 835225337 /nfs/dbraw/zinc/22/53/37/835225337.db2.gz QBQZJPLQAVEWPM-QHCPKHFHSA-N 2 2 377.536 3.569 20 0 GHADLP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000655272165 835464469 /nfs/dbraw/zinc/46/44/69/835464469.db2.gz UGFKAGHZDVUZLE-IBGZPJMESA-N 2 2 386.584 3.826 20 0 GHADLP Brc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294535 835559777 /nfs/dbraw/zinc/55/97/77/835559777.db2.gz IEQVELUECRVEHL-PKOBYXMFSA-N 2 2 379.342 3.669 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)C[N@@H+]1Cc1ccccc1 ZINC000510132131 835734798 /nfs/dbraw/zinc/73/47/98/835734798.db2.gz SIPKAERNWMAKJK-CTNGQTDRSA-N 2 2 388.515 3.903 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)C[N@H+]1Cc1ccccc1 ZINC000510132131 835734810 /nfs/dbraw/zinc/73/48/10/835734810.db2.gz SIPKAERNWMAKJK-CTNGQTDRSA-N 2 2 388.515 3.903 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000600967840 835779869 /nfs/dbraw/zinc/77/98/69/835779869.db2.gz ZSWQGZNKHHMOAE-CZAAIQMYSA-N 2 2 385.939 3.894 20 0 GHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000600967840 835779875 /nfs/dbraw/zinc/77/98/75/835779875.db2.gz ZSWQGZNKHHMOAE-CZAAIQMYSA-N 2 2 385.939 3.894 20 0 GHADLP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Br)cc1F ZINC000584282141 835837389 /nfs/dbraw/zinc/83/73/89/835837389.db2.gz LOFNEHDUTXWZOD-DLBZAZTESA-N 2 2 398.320 3.523 20 0 GHADLP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Br)cc1F ZINC000584282141 835837400 /nfs/dbraw/zinc/83/74/00/835837400.db2.gz LOFNEHDUTXWZOD-DLBZAZTESA-N 2 2 398.320 3.523 20 0 GHADLP COc1ccc(C)cc1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000548932190 836279494 /nfs/dbraw/zinc/27/94/94/836279494.db2.gz UILNPADRTLZBBX-QFIPXVFZSA-N 2 2 395.547 3.832 20 0 GHADLP COc1ccc(C)cc1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000548932190 836279506 /nfs/dbraw/zinc/27/95/06/836279506.db2.gz UILNPADRTLZBBX-QFIPXVFZSA-N 2 2 395.547 3.832 20 0 GHADLP CC(C)C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccccn1 ZINC000155152719 836471238 /nfs/dbraw/zinc/47/12/38/836471238.db2.gz FVUOVVSXGCSJDC-HSZRJFAPSA-N 2 2 383.536 3.670 20 0 GHADLP CN(C(=O)C1CCC2(CC2)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612961621 837023483 /nfs/dbraw/zinc/02/34/83/837023483.db2.gz ZXIYCDRJBCZJHN-RTWAWAEBSA-N 2 2 375.601 3.752 20 0 GHADLP CN(C(=O)C1CCC2(CC2)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612961621 837023487 /nfs/dbraw/zinc/02/34/87/837023487.db2.gz ZXIYCDRJBCZJHN-RTWAWAEBSA-N 2 2 375.601 3.752 20 0 GHADLP COc1ccc(OCc2nc(C[NH2+]C[C@@H]3CCCn4cc(C)[nH+]c43)cs2)cc1 ZINC000377837324 838040119 /nfs/dbraw/zinc/04/01/19/838040119.db2.gz LKGDKLHVDDBTGT-INIZCTEOSA-N 2 2 398.532 3.903 20 0 GHADLP COc1ccc(C[C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(C)c1OC ZINC000579966426 838109266 /nfs/dbraw/zinc/10/92/66/838109266.db2.gz GUCNTEDGQKINFS-JXFKEZNVSA-N 2 2 398.551 3.591 20 0 GHADLP CC[NH2+]Cc1cccc(NC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000415905679 838259972 /nfs/dbraw/zinc/25/99/72/838259972.db2.gz ISFAREPKCWNWJB-UHFFFAOYSA-N 2 2 395.551 3.962 20 0 GHADLP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000415940300 838292748 /nfs/dbraw/zinc/29/27/48/838292748.db2.gz DEYVVUKNWRMZDP-GOSISDBHSA-N 2 2 396.535 3.715 20 0 GHADLP C[NH2+]Cc1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000415987540 838355637 /nfs/dbraw/zinc/35/56/37/838355637.db2.gz YBSDRAAAHSTVRC-OAQYLSRUSA-N 2 2 377.492 3.782 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275707599 838453380 /nfs/dbraw/zinc/45/33/80/838453380.db2.gz UHQRJQMXDDHWEU-QGZVFWFLSA-N 2 2 386.565 3.763 20 0 GHADLP CCc1oc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1C(=O)OC ZINC000549400314 838581522 /nfs/dbraw/zinc/58/15/22/838581522.db2.gz SDANRJLVRWZXDX-AUUYWEPGSA-N 2 2 376.522 3.863 20 0 GHADLP CCc1oc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1C(=O)OC ZINC000549400314 838581529 /nfs/dbraw/zinc/58/15/29/838581529.db2.gz SDANRJLVRWZXDX-AUUYWEPGSA-N 2 2 376.522 3.863 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CCCC1)c1ccccc1 ZINC000651338872 838643812 /nfs/dbraw/zinc/64/38/12/838643812.db2.gz RVICUZINVJFYTR-GOSISDBHSA-N 2 2 380.536 3.542 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000576388568 844363781 /nfs/dbraw/zinc/36/37/81/844363781.db2.gz QHLOXVSTAFOBHW-IBGZPJMESA-N 2 2 381.520 3.589 20 0 GHADLP C[NH+](C)[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000580111860 838887737 /nfs/dbraw/zinc/88/77/37/838887737.db2.gz TXQGNLGQQFVGFW-KRWDZBQOSA-N 2 2 377.882 3.949 20 0 GHADLP CC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278826656 839463144 /nfs/dbraw/zinc/46/31/44/839463144.db2.gz HZMOERFWRMHDOH-INIZCTEOSA-N 2 2 394.519 3.629 20 0 GHADLP c1c2ccccc2[nH]c1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000683927250 839497332 /nfs/dbraw/zinc/49/73/32/839497332.db2.gz HUDBEUISWASYJM-UHFFFAOYSA-N 2 2 376.548 3.856 20 0 GHADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000473005858 839515478 /nfs/dbraw/zinc/51/54/78/839515478.db2.gz BJAHLRNPVKAISU-XZOQPEGZSA-N 2 2 379.548 3.908 20 0 GHADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000473005858 839515490 /nfs/dbraw/zinc/51/54/90/839515490.db2.gz BJAHLRNPVKAISU-XZOQPEGZSA-N 2 2 379.548 3.908 20 0 GHADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000473005858 839515502 /nfs/dbraw/zinc/51/55/02/839515502.db2.gz BJAHLRNPVKAISU-XZOQPEGZSA-N 2 2 379.548 3.908 20 0 GHADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000473005858 839515518 /nfs/dbraw/zinc/51/55/18/839515518.db2.gz BJAHLRNPVKAISU-XZOQPEGZSA-N 2 2 379.548 3.908 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000656253837 839830695 /nfs/dbraw/zinc/83/06/95/839830695.db2.gz YEGWYJRUZBEAHW-PBHICJAKSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000656253837 839830705 /nfs/dbraw/zinc/83/07/05/839830705.db2.gz YEGWYJRUZBEAHW-PBHICJAKSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000656253837 839830712 /nfs/dbraw/zinc/83/07/12/839830712.db2.gz YEGWYJRUZBEAHW-PBHICJAKSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000656253837 839830717 /nfs/dbraw/zinc/83/07/17/839830717.db2.gz YEGWYJRUZBEAHW-PBHICJAKSA-N 2 2 391.357 3.858 20 0 GHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000656256173 839849310 /nfs/dbraw/zinc/84/93/10/839849310.db2.gz UIRHJFDYVPJBEG-MRXNPFEDSA-N 2 2 391.357 3.717 20 0 GHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000656256173 839849315 /nfs/dbraw/zinc/84/93/15/839849315.db2.gz UIRHJFDYVPJBEG-MRXNPFEDSA-N 2 2 391.357 3.717 20 0 GHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000656256173 839849321 /nfs/dbraw/zinc/84/93/21/839849321.db2.gz UIRHJFDYVPJBEG-MRXNPFEDSA-N 2 2 391.357 3.717 20 0 GHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000656256173 839849327 /nfs/dbraw/zinc/84/93/27/839849327.db2.gz UIRHJFDYVPJBEG-MRXNPFEDSA-N 2 2 391.357 3.717 20 0 GHADLP CC[N@H+](Cc1cc(C)nc(C)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000660079722 840098966 /nfs/dbraw/zinc/09/89/66/840098966.db2.gz QIJJZWHSGOCTHH-UHFFFAOYSA-N 2 2 382.556 3.806 20 0 GHADLP CC[N@@H+](Cc1cc(C)nc(C)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000660079722 840098973 /nfs/dbraw/zinc/09/89/73/840098973.db2.gz QIJJZWHSGOCTHH-UHFFFAOYSA-N 2 2 382.556 3.806 20 0 GHADLP c1nc(C2CC2)oc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000628295810 840369001 /nfs/dbraw/zinc/36/90/01/840369001.db2.gz LHKBZWPHGAZIGV-HXUWFJFHSA-N 2 2 381.520 3.570 20 0 GHADLP c1nc(C2CC2)oc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000628295810 840369014 /nfs/dbraw/zinc/36/90/14/840369014.db2.gz LHKBZWPHGAZIGV-HXUWFJFHSA-N 2 2 381.520 3.570 20 0 GHADLP Brc1cc2c(c(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)c1)OCC2 ZINC000580919590 840426261 /nfs/dbraw/zinc/42/62/61/840426261.db2.gz IXMOWUKTKOSCAE-UHFFFAOYSA-N 2 2 398.304 3.919 20 0 GHADLP CCc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000580946216 840490348 /nfs/dbraw/zinc/49/03/48/840490348.db2.gz NGWSUEQJSAHOFJ-MXHMCPQYSA-N 2 2 398.572 3.615 20 0 GHADLP [NH3+]CCCOC1CC[NH+](Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000430599037 841355568 /nfs/dbraw/zinc/35/55/68/841355568.db2.gz PMMPLMPPCFCYFZ-UHFFFAOYSA-N 2 2 395.956 3.705 20 0 GHADLP O=C([C@H]1CCC[NH+]1Cc1ccccc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000511651088 841363020 /nfs/dbraw/zinc/36/30/20/841363020.db2.gz ZQDKTEKXJDIWKA-HSZRJFAPSA-N 2 2 395.522 3.525 20 0 GHADLP O=C([C@H]1CCC[NH+]1Cc1ccccc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000511651088 841363028 /nfs/dbraw/zinc/36/30/28/841363028.db2.gz ZQDKTEKXJDIWKA-HSZRJFAPSA-N 2 2 395.522 3.525 20 0 GHADLP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000511651088 841363036 /nfs/dbraw/zinc/36/30/36/841363036.db2.gz ZQDKTEKXJDIWKA-HSZRJFAPSA-N 2 2 395.522 3.525 20 0 GHADLP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000511651088 841363046 /nfs/dbraw/zinc/36/30/46/841363046.db2.gz ZQDKTEKXJDIWKA-HSZRJFAPSA-N 2 2 395.522 3.525 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000581468192 841453618 /nfs/dbraw/zinc/45/36/18/841453618.db2.gz VUMCWNDAKYBQJX-OXJNMPFZSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000581468192 841453626 /nfs/dbraw/zinc/45/36/26/841453626.db2.gz VUMCWNDAKYBQJX-OXJNMPFZSA-N 2 2 377.960 3.684 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)NC3CCCCC3)C2)s1 ZINC000581634529 841846913 /nfs/dbraw/zinc/84/69/13/841846913.db2.gz SOAJNGPSOVEHJJ-MSOLQXFVSA-N 2 2 377.598 3.648 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)NC3CCCCC3)C2)s1 ZINC000581634529 841846922 /nfs/dbraw/zinc/84/69/22/841846922.db2.gz SOAJNGPSOVEHJJ-MSOLQXFVSA-N 2 2 377.598 3.648 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NC3CCCCC3)C2)s1 ZINC000581634529 841846927 /nfs/dbraw/zinc/84/69/27/841846927.db2.gz SOAJNGPSOVEHJJ-MSOLQXFVSA-N 2 2 377.598 3.648 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NC3CCCCC3)C2)s1 ZINC000581634529 841846932 /nfs/dbraw/zinc/84/69/32/841846932.db2.gz SOAJNGPSOVEHJJ-MSOLQXFVSA-N 2 2 377.598 3.648 20 0 GHADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCn2c(COc3cccnc3)cnc2[C@@H]1C ZINC001167828530 842113683 /nfs/dbraw/zinc/11/36/83/842113683.db2.gz ZFSIDDIRBKQIFX-OALUTQOASA-N 2 2 385.556 3.744 20 0 GHADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCn2c(COc3cccnc3)cnc2[C@@H]1C ZINC001167828530 842113687 /nfs/dbraw/zinc/11/36/87/842113687.db2.gz ZFSIDDIRBKQIFX-OALUTQOASA-N 2 2 385.556 3.744 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000581742910 842130208 /nfs/dbraw/zinc/13/02/08/842130208.db2.gz WOUZKYUNLVYAJP-GOSISDBHSA-N 2 2 383.517 3.664 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)cc2Br)[C@@H](C)C1 ZINC000512054082 842345953 /nfs/dbraw/zinc/34/59/53/842345953.db2.gz USJQDKCIDTWHLP-KXBFYZLASA-N 2 2 399.373 3.684 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)cc2Br)[C@@H](C)C1 ZINC000512054082 842345963 /nfs/dbraw/zinc/34/59/63/842345963.db2.gz USJQDKCIDTWHLP-KXBFYZLASA-N 2 2 399.373 3.684 20 0 GHADLP Fc1ccc(-c2noc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)n2)cc1 ZINC000278956763 842378273 /nfs/dbraw/zinc/37/82/73/842378273.db2.gz WILTXQHIQVUZBE-UHFFFAOYSA-N 2 2 381.455 3.788 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)s1 ZINC000512067016 842385362 /nfs/dbraw/zinc/38/53/62/842385362.db2.gz JEUXHLSGYCPTPN-INIZCTEOSA-N 2 2 396.963 3.751 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCCC2)s1 ZINC000512115998 842545643 /nfs/dbraw/zinc/54/56/43/842545643.db2.gz RGJXYCKPJKYCJT-KRWDZBQOSA-N 2 2 396.963 3.924 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178216208 861338191 /nfs/dbraw/zinc/33/81/91/861338191.db2.gz XBBUZCARBAIXFB-HXUWFJFHSA-N 2 2 384.568 3.733 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178216208 861338199 /nfs/dbraw/zinc/33/81/99/861338199.db2.gz XBBUZCARBAIXFB-HXUWFJFHSA-N 2 2 384.568 3.733 20 0 GHADLP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481417138 861339143 /nfs/dbraw/zinc/33/91/43/861339143.db2.gz QPAMCCHMLDNUSF-UUOWRZLLSA-N 2 2 398.522 3.950 20 0 GHADLP CC(C)[C@H](CCc1ccccc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000581932214 842748786 /nfs/dbraw/zinc/74/87/86/842748786.db2.gz PXSLALCNFRYZMK-QHCPKHFHSA-N 2 2 385.596 3.566 20 0 GHADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000247652029 843032640 /nfs/dbraw/zinc/03/26/40/843032640.db2.gz WNPNITTXYBFEFA-KSCDAYEDSA-N 2 2 395.551 3.531 20 0 GHADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000247652029 843032652 /nfs/dbraw/zinc/03/26/52/843032652.db2.gz WNPNITTXYBFEFA-KSCDAYEDSA-N 2 2 395.551 3.531 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@@H](C)C1 ZINC000429809175 843060045 /nfs/dbraw/zinc/06/00/45/843060045.db2.gz QXJOMZKQVHMTKL-LQBOVUBWSA-N 2 2 385.577 3.616 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@@H](C)C1 ZINC000429809175 843060063 /nfs/dbraw/zinc/06/00/63/843060063.db2.gz QXJOMZKQVHMTKL-LQBOVUBWSA-N 2 2 385.577 3.616 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@@H](C)C1 ZINC000429809175 843060069 /nfs/dbraw/zinc/06/00/69/843060069.db2.gz QXJOMZKQVHMTKL-LQBOVUBWSA-N 2 2 385.577 3.616 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@@H](C)C1 ZINC000429809175 843060089 /nfs/dbraw/zinc/06/00/89/843060089.db2.gz QXJOMZKQVHMTKL-LQBOVUBWSA-N 2 2 385.577 3.616 20 0 GHADLP Fc1cccc(Cl)c1-c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)no1 ZINC000662291909 843082478 /nfs/dbraw/zinc/08/24/78/843082478.db2.gz APCUJFGGODWXAH-AWEZNQCLSA-N 2 2 378.879 3.741 20 0 GHADLP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279596633 843160252 /nfs/dbraw/zinc/16/02/52/843160252.db2.gz VARVXLUHSDLYPF-JOCHJYFZSA-N 2 2 392.547 3.590 20 0 GHADLP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279596633 843160259 /nfs/dbraw/zinc/16/02/59/843160259.db2.gz VARVXLUHSDLYPF-JOCHJYFZSA-N 2 2 392.547 3.590 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000662511652 843368239 /nfs/dbraw/zinc/36/82/39/843368239.db2.gz XOXZENUWZQUTQP-VOQZNFBZSA-N 2 2 399.485 3.519 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000662511652 843368243 /nfs/dbraw/zinc/36/82/43/843368243.db2.gz XOXZENUWZQUTQP-VOQZNFBZSA-N 2 2 399.485 3.519 20 0 GHADLP CC(C)(C)OC(=O)N1CC=C(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000279818429 843398946 /nfs/dbraw/zinc/39/89/46/843398946.db2.gz PFDTYLWEKZKFDV-UHFFFAOYSA-N 2 2 386.540 3.597 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418682305 843530469 /nfs/dbraw/zinc/53/04/69/843530469.db2.gz WHBRYPLJUPXUPY-FXAWDEMLSA-N 2 2 386.565 3.617 20 0 GHADLP O=c1ccccn1C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000500501865 843544815 /nfs/dbraw/zinc/54/48/15/843544815.db2.gz VNQNPKRJXMZNCF-HXUWFJFHSA-N 2 2 376.485 3.627 20 0 GHADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278889986 843553501 /nfs/dbraw/zinc/55/35/01/843553501.db2.gz OCFOGUDDHPQISV-INIZCTEOSA-N 2 2 384.499 3.874 20 0 GHADLP CC1CCC([N@H+](Cc2nc(C(C)(C)[NH3+])no2)Cc2ccc3c(c2)OCO3)CC1 ZINC000431081448 843574316 /nfs/dbraw/zinc/57/43/16/843574316.db2.gz FEKQTVGYZKSJTN-UHFFFAOYSA-N 2 2 386.496 3.573 20 0 GHADLP CC1CCC([N@@H+](Cc2nc(C(C)(C)[NH3+])no2)Cc2ccc3c(c2)OCO3)CC1 ZINC000431081448 843574322 /nfs/dbraw/zinc/57/43/22/843574322.db2.gz FEKQTVGYZKSJTN-UHFFFAOYSA-N 2 2 386.496 3.573 20 0 GHADLP CC1CCC(O)(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC1 ZINC000510900573 843765570 /nfs/dbraw/zinc/76/55/70/843765570.db2.gz DBSQAUWOSFZJEQ-UHFFFAOYSA-N 2 2 396.329 3.682 20 0 GHADLP CC1CCC(O)(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC1 ZINC000510900573 843765573 /nfs/dbraw/zinc/76/55/73/843765573.db2.gz DBSQAUWOSFZJEQ-UHFFFAOYSA-N 2 2 396.329 3.682 20 0 GHADLP Cc1ccc(OC[C@H](O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000576150353 843909236 /nfs/dbraw/zinc/90/92/36/843909236.db2.gz OFEGBDYRYPRTPB-OFNKIYASSA-N 2 2 379.504 3.579 20 0 GHADLP CN(C(=O)c1cc(F)cc(Cl)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849303 844810972 /nfs/dbraw/zinc/81/09/72/844810972.db2.gz XBKGGBICOPZMEQ-WOJBJXKFSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1cc(F)cc(Cl)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849303 844810979 /nfs/dbraw/zinc/81/09/79/844810979.db2.gz XBKGGBICOPZMEQ-WOJBJXKFSA-N 2 2 395.950 3.888 20 0 GHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000512663911 844950685 /nfs/dbraw/zinc/95/06/85/844950685.db2.gz SGLLLOCZAVFPRA-ROUUACIJSA-N 2 2 386.971 3.879 20 0 GHADLP CC(C)CCOc1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000158076629 845077809 /nfs/dbraw/zinc/07/78/09/845077809.db2.gz HHGSAHFIIQONGT-UHFFFAOYSA-N 2 2 390.572 3.601 20 0 GHADLP CC(C)CCOc1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000158076629 845077817 /nfs/dbraw/zinc/07/78/17/845077817.db2.gz HHGSAHFIIQONGT-UHFFFAOYSA-N 2 2 390.572 3.601 20 0 GHADLP CCOC(=O)CC(C)(C)CC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC001167500370 845336503 /nfs/dbraw/zinc/33/65/03/845336503.db2.gz UQIYXGYTNGJVAB-UHFFFAOYSA-N 2 2 375.557 3.989 20 0 GHADLP CCOC(=O)CC(C)(C)CC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC001167500370 845336512 /nfs/dbraw/zinc/33/65/12/845336512.db2.gz UQIYXGYTNGJVAB-UHFFFAOYSA-N 2 2 375.557 3.989 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000673751314 861580081 /nfs/dbraw/zinc/58/00/81/861580081.db2.gz UGNIRJZZHIQILZ-HXUWFJFHSA-N 2 2 388.515 3.668 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000673751314 861580085 /nfs/dbraw/zinc/58/00/85/861580085.db2.gz UGNIRJZZHIQILZ-HXUWFJFHSA-N 2 2 388.515 3.668 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(-n3cccn3)c2)[C@@H]1c1cnn(C)c1 ZINC000434021218 846160748 /nfs/dbraw/zinc/16/07/48/846160748.db2.gz KKGSOUMMNUOWAY-NZQKXSOJSA-N 2 2 392.551 3.511 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(-n3cccn3)c2)[C@@H]1c1cnn(C)c1 ZINC000434021218 846160752 /nfs/dbraw/zinc/16/07/52/846160752.db2.gz KKGSOUMMNUOWAY-NZQKXSOJSA-N 2 2 392.551 3.511 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cccc(-n3cccn3)c2)[C@@H]1c1cnn(C)c1 ZINC000434021218 846160759 /nfs/dbraw/zinc/16/07/59/846160759.db2.gz KKGSOUMMNUOWAY-NZQKXSOJSA-N 2 2 392.551 3.511 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cccc(-n3cccn3)c2)[C@@H]1c1cnn(C)c1 ZINC000434021218 846160765 /nfs/dbraw/zinc/16/07/65/846160765.db2.gz KKGSOUMMNUOWAY-NZQKXSOJSA-N 2 2 392.551 3.511 20 0 GHADLP CC1CCC([NH+]2CCN(C(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)CC2)CC1 ZINC000582058866 846176305 /nfs/dbraw/zinc/17/63/05/846176305.db2.gz RNJIYPYHXYXIRZ-DQVLVPHSSA-N 2 2 380.536 3.655 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000152070188 846198499 /nfs/dbraw/zinc/19/84/99/846198499.db2.gz RDYJBEAKWASUIX-CVDCTZTESA-N 2 2 397.538 3.769 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000152070188 846198501 /nfs/dbraw/zinc/19/85/01/846198501.db2.gz RDYJBEAKWASUIX-CVDCTZTESA-N 2 2 397.538 3.769 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000582091695 846288682 /nfs/dbraw/zinc/28/86/82/846288682.db2.gz FQOJMXJYDHPHLE-ZEQRLZLVSA-N 2 2 386.543 3.885 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000582091695 846288696 /nfs/dbraw/zinc/28/86/96/846288696.db2.gz FQOJMXJYDHPHLE-ZEQRLZLVSA-N 2 2 386.543 3.885 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000582091695 846288710 /nfs/dbraw/zinc/28/87/10/846288710.db2.gz FQOJMXJYDHPHLE-ZEQRLZLVSA-N 2 2 386.543 3.885 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000582091695 846288723 /nfs/dbraw/zinc/28/87/23/846288723.db2.gz FQOJMXJYDHPHLE-ZEQRLZLVSA-N 2 2 386.543 3.885 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1C ZINC000731500640 861666495 /nfs/dbraw/zinc/66/64/95/861666495.db2.gz IPBFSYGMQMCVON-IBGZPJMESA-N 2 2 388.556 3.551 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1C ZINC000731500640 861666505 /nfs/dbraw/zinc/66/65/05/861666505.db2.gz IPBFSYGMQMCVON-IBGZPJMESA-N 2 2 388.556 3.551 20 0 GHADLP CN(C(=O)CCc1ccccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124812334 846623613 /nfs/dbraw/zinc/62/36/13/846623613.db2.gz IYZIXXHBKSOMKP-YADHBBJMSA-N 2 2 389.559 3.554 20 0 GHADLP CN(C(=O)CCc1ccccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124812334 846623619 /nfs/dbraw/zinc/62/36/19/846623619.db2.gz IYZIXXHBKSOMKP-YADHBBJMSA-N 2 2 389.559 3.554 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(C)(C)c3ccccc3Cl)CC2)CC1 ZINC000422017587 846770740 /nfs/dbraw/zinc/77/07/40/846770740.db2.gz JKJWHFFAGONJEI-UHFFFAOYSA-N 2 2 391.987 3.636 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(C)(C)c3ccccc3Cl)CC2)CC1 ZINC000422017587 846770748 /nfs/dbraw/zinc/77/07/48/846770748.db2.gz JKJWHFFAGONJEI-UHFFFAOYSA-N 2 2 391.987 3.636 20 0 GHADLP CC[NH+]1CCC([NH2+]Cc2ccc(I)c(Cl)c2)CC1 ZINC000503074270 846777308 /nfs/dbraw/zinc/77/73/08/846777308.db2.gz OJVNVCZGKFUZNE-UHFFFAOYSA-N 2 2 378.685 3.519 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc2c(c1)CCCC2 ZINC000503076914 846779648 /nfs/dbraw/zinc/77/96/48/846779648.db2.gz WGRWEYXMAOFAGD-KEXUJGGDSA-N 2 2 394.563 3.911 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc2c(c1)CCCC2 ZINC000503076914 846779658 /nfs/dbraw/zinc/77/96/58/846779658.db2.gz WGRWEYXMAOFAGD-KEXUJGGDSA-N 2 2 394.563 3.911 20 0 GHADLP CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000179703499 861717717 /nfs/dbraw/zinc/71/77/17/861717717.db2.gz QOOZBPDTOPFGAB-QHCPKHFHSA-N 2 2 394.563 3.507 20 0 GHADLP CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000179703499 861717731 /nfs/dbraw/zinc/71/77/31/861717731.db2.gz QOOZBPDTOPFGAB-QHCPKHFHSA-N 2 2 394.563 3.507 20 0 GHADLP CC[C@@H](c1ccncc1)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000179703499 861717743 /nfs/dbraw/zinc/71/77/43/861717743.db2.gz QOOZBPDTOPFGAB-QHCPKHFHSA-N 2 2 394.563 3.507 20 0 GHADLP CC[C@@H](c1ccncc1)[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000179703499 861717754 /nfs/dbraw/zinc/71/77/54/861717754.db2.gz QOOZBPDTOPFGAB-QHCPKHFHSA-N 2 2 394.563 3.507 20 0 GHADLP Cc1cc(F)cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000179703023 861717829 /nfs/dbraw/zinc/71/78/29/861717829.db2.gz MVLZDJYVXNHHJA-RTWAWAEBSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cc(F)cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000179703023 861717838 /nfs/dbraw/zinc/71/78/38/861717838.db2.gz MVLZDJYVXNHHJA-RTWAWAEBSA-N 2 2 390.547 3.935 20 0 GHADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000657384102 846787537 /nfs/dbraw/zinc/78/75/37/846787537.db2.gz LWHHZSKZGJYMGL-UHFFFAOYSA-N 2 2 387.499 3.992 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000582301973 846812020 /nfs/dbraw/zinc/81/20/20/846812020.db2.gz LQXSEOIYJQTCTR-KPLVRAHFSA-N 2 2 381.520 3.743 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000582301973 846812028 /nfs/dbraw/zinc/81/20/28/846812028.db2.gz LQXSEOIYJQTCTR-KPLVRAHFSA-N 2 2 381.520 3.743 20 0 GHADLP CCC[C@@H](NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422145080 846849543 /nfs/dbraw/zinc/84/95/43/846849543.db2.gz RWSQJCFTXGPVPR-JOCHJYFZSA-N 2 2 386.584 3.729 20 0 GHADLP CCC[C@@H](NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422145080 846849554 /nfs/dbraw/zinc/84/95/54/846849554.db2.gz RWSQJCFTXGPVPR-JOCHJYFZSA-N 2 2 386.584 3.729 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)CC1 ZINC000271771252 846914873 /nfs/dbraw/zinc/91/48/73/846914873.db2.gz FLGLVYNWYCFTIQ-GOSISDBHSA-N 2 2 381.520 3.817 20 0 GHADLP C[N@@H+]1C[C@@H](C[NH2+]Cc2cn3ccc(Br)cc3n2)[C@H](c2ccccc2)C1 ZINC000647249265 846953389 /nfs/dbraw/zinc/95/33/89/846953389.db2.gz OEOBPDJJYXUIJW-APWZRJJASA-N 2 2 399.336 3.532 20 0 GHADLP C[N@H+]1C[C@@H](C[NH2+]Cc2cn3ccc(Br)cc3n2)[C@H](c2ccccc2)C1 ZINC000647249265 846953406 /nfs/dbraw/zinc/95/34/06/846953406.db2.gz OEOBPDJJYXUIJW-APWZRJJASA-N 2 2 399.336 3.532 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000604069848 861749883 /nfs/dbraw/zinc/74/98/83/861749883.db2.gz NWSOPEBMTIHCGU-ISKFKSNPSA-N 2 2 380.532 3.999 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000604069848 861749892 /nfs/dbraw/zinc/74/98/92/861749892.db2.gz NWSOPEBMTIHCGU-ISKFKSNPSA-N 2 2 380.532 3.999 20 0 GHADLP CSc1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000511115443 847127644 /nfs/dbraw/zinc/12/76/44/847127644.db2.gz MRANKADEHOBJAT-FQEVSTJZSA-N 2 2 396.604 3.838 20 0 GHADLP CSc1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000511115443 847127651 /nfs/dbraw/zinc/12/76/51/847127651.db2.gz MRANKADEHOBJAT-FQEVSTJZSA-N 2 2 396.604 3.838 20 0 GHADLP C[C@H](c1cc(Cl)ccc1Cl)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000420354133 847135049 /nfs/dbraw/zinc/13/50/49/847135049.db2.gz OGBIUCITKLBYQG-GFCCVEGCSA-N 2 2 380.323 3.629 20 0 GHADLP O=C(CCc1[nH]cc[nH+]1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000501750387 847154420 /nfs/dbraw/zinc/15/44/20/847154420.db2.gz JATQEGMFWRENPE-UHFFFAOYSA-N 2 2 395.334 3.774 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000731656007 861779096 /nfs/dbraw/zinc/77/90/96/861779096.db2.gz WEYFKKAIYYNAKB-FQEVSTJZSA-N 2 2 388.943 3.796 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000731656007 861779115 /nfs/dbraw/zinc/77/91/15/861779115.db2.gz WEYFKKAIYYNAKB-FQEVSTJZSA-N 2 2 388.943 3.796 20 0 GHADLP Cc1cc(CNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc(C)[nH+]1 ZINC000422211888 847471387 /nfs/dbraw/zinc/47/13/87/847471387.db2.gz QLWKSJUYNYQEGB-UHFFFAOYSA-N 2 2 392.547 3.896 20 0 GHADLP Cc1cc(CNC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc(C)[nH+]1 ZINC000422211888 847471394 /nfs/dbraw/zinc/47/13/94/847471394.db2.gz QLWKSJUYNYQEGB-UHFFFAOYSA-N 2 2 392.547 3.896 20 0 GHADLP Cc1[nH+]cc(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)n1C ZINC000657472989 847640804 /nfs/dbraw/zinc/64/08/04/847640804.db2.gz DLLFFDTZMVFYNK-UHFFFAOYSA-N 2 2 396.304 3.512 20 0 GHADLP CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000503382613 847656727 /nfs/dbraw/zinc/65/67/27/847656727.db2.gz JEXUYHANCRKLTR-MOPGFXCFSA-N 2 2 386.584 3.969 20 0 GHADLP CCN(C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000503382613 847656731 /nfs/dbraw/zinc/65/67/31/847656731.db2.gz JEXUYHANCRKLTR-MOPGFXCFSA-N 2 2 386.584 3.969 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503405999 847669492 /nfs/dbraw/zinc/66/94/92/847669492.db2.gz KKGZEPQOHCUVQV-FQEVSTJZSA-N 2 2 375.520 3.844 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503405999 847669494 /nfs/dbraw/zinc/66/94/94/847669494.db2.gz KKGZEPQOHCUVQV-FQEVSTJZSA-N 2 2 375.520 3.844 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1OCCc2sccc21 ZINC000429142097 861830223 /nfs/dbraw/zinc/83/02/23/861830223.db2.gz MHKHTSDGXRBCCM-AVRDEDQJSA-N 2 2 385.577 3.552 20 0 GHADLP COc1cc(C)c(C[C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1OC ZINC000502433911 847900427 /nfs/dbraw/zinc/90/04/27/847900427.db2.gz JVYWEJORKLNABQ-XLIONFOSSA-N 2 2 398.551 3.591 20 0 GHADLP COc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc(Br)c1OC ZINC000422947180 847909580 /nfs/dbraw/zinc/90/95/80/847909580.db2.gz PYMMXHFCTQMWMQ-JKSUJKDBSA-N 2 2 377.282 3.701 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423088172 847973156 /nfs/dbraw/zinc/97/31/56/847973156.db2.gz RDMZLYMWUZECMN-IGKWTDBASA-N 2 2 379.548 3.995 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000657525134 848045341 /nfs/dbraw/zinc/04/53/41/848045341.db2.gz TYOBWVIENNEDGJ-QFIPXVFZSA-N 2 2 389.547 3.956 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000657525134 848045352 /nfs/dbraw/zinc/04/53/52/848045352.db2.gz TYOBWVIENNEDGJ-QFIPXVFZSA-N 2 2 389.547 3.956 20 0 GHADLP CC(C)(C)c1ccc(S(=O)(=O)CC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000472243881 848097978 /nfs/dbraw/zinc/09/79/78/848097978.db2.gz SPDJTQMHBLEQSS-UHFFFAOYSA-N 2 2 392.609 3.566 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000192250704 861871341 /nfs/dbraw/zinc/87/13/41/861871341.db2.gz NJBMITJLTALAJC-NRFANRHFSA-N 2 2 382.552 3.739 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000192250704 861871363 /nfs/dbraw/zinc/87/13/63/861871363.db2.gz NJBMITJLTALAJC-NRFANRHFSA-N 2 2 382.552 3.739 20 0 GHADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1Cl ZINC000604159479 861874456 /nfs/dbraw/zinc/87/44/56/861874456.db2.gz OKPWPJUROGJFQB-DZGCQCFKSA-N 2 2 399.366 3.522 20 0 GHADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1Cl ZINC000604159479 861874476 /nfs/dbraw/zinc/87/44/76/861874476.db2.gz OKPWPJUROGJFQB-DZGCQCFKSA-N 2 2 399.366 3.522 20 0 GHADLP c1cc2cc(C[N@H+]3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)ccc2[nH]1 ZINC000628158639 848389441 /nfs/dbraw/zinc/38/94/41/848389441.db2.gz UHDWGERZGUQSCG-OAQYLSRUSA-N 2 2 389.547 3.597 20 0 GHADLP c1cc2cc(C[N@@H+]3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)ccc2[nH]1 ZINC000628158639 848389444 /nfs/dbraw/zinc/38/94/44/848389444.db2.gz UHDWGERZGUQSCG-OAQYLSRUSA-N 2 2 389.547 3.597 20 0 GHADLP CC1(C)CC([NH3+])CC(C)(C)N1c1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC001167624696 848506808 /nfs/dbraw/zinc/50/68/08/848506808.db2.gz LGUUGGZERBYNEH-UHFFFAOYSA-N 2 2 376.508 3.814 20 0 GHADLP CC(C)[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000604164211 861911758 /nfs/dbraw/zinc/91/17/58/861911758.db2.gz BAOLKPAPHJQDIE-ICSRJNTNSA-N 2 2 392.975 3.505 20 0 GHADLP CC(C)[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000604164211 861911770 /nfs/dbraw/zinc/91/17/70/861911770.db2.gz BAOLKPAPHJQDIE-ICSRJNTNSA-N 2 2 392.975 3.505 20 0 GHADLP Cn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(-c2cccs2)n1 ZINC000192356863 861929158 /nfs/dbraw/zinc/92/91/58/861929158.db2.gz GIQJYNBRFSAXTO-HXUWFJFHSA-N 2 2 396.560 3.529 20 0 GHADLP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(-c2cccs2)n1 ZINC000192356863 861929172 /nfs/dbraw/zinc/92/91/72/861929172.db2.gz GIQJYNBRFSAXTO-HXUWFJFHSA-N 2 2 396.560 3.529 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000472275467 848851268 /nfs/dbraw/zinc/85/12/68/848851268.db2.gz JQQPEHGBUWVWBQ-HOTGVXAUSA-N 2 2 380.483 3.925 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000472275467 848851277 /nfs/dbraw/zinc/85/12/77/848851277.db2.gz JQQPEHGBUWVWBQ-HOTGVXAUSA-N 2 2 380.483 3.925 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2c(cc1Br)OCCCO2 ZINC000180153955 861983213 /nfs/dbraw/zinc/98/32/13/861983213.db2.gz HIWZTGWUIWNSRH-UHFFFAOYSA-N 2 2 394.313 3.637 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2c(cc1Br)OCCCO2 ZINC000180153955 861983228 /nfs/dbraw/zinc/98/32/28/861983228.db2.gz HIWZTGWUIWNSRH-UHFFFAOYSA-N 2 2 394.313 3.637 20 0 GHADLP Cc1cc(Br)cn2c(CN3CCCC[C@@H]3[C@H]3CCC[NH2+]3)c[nH+]c12 ZINC000583143928 849179276 /nfs/dbraw/zinc/17/92/76/849179276.db2.gz JUOBXSWSZHRJBV-IAGOWNOFSA-N 2 2 377.330 3.512 20 0 GHADLP CC(C)Cn1ccc2c1cccc2C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000278109516 849227273 /nfs/dbraw/zinc/22/72/73/849227273.db2.gz KUEQWGGCBOMVKK-UHFFFAOYSA-N 2 2 396.579 3.586 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000522545389 862035902 /nfs/dbraw/zinc/03/59/02/862035902.db2.gz PNIQMGBCMRNKLR-KBXCAEBGSA-N 2 2 383.964 3.940 20 0 GHADLP C[C@H](NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423104743 849754939 /nfs/dbraw/zinc/75/49/39/849754939.db2.gz MPCZHKHUZPCVAT-RRQGHBQHSA-N 2 2 377.882 3.995 20 0 GHADLP C[C@H](NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423104743 849754944 /nfs/dbraw/zinc/75/49/44/849754944.db2.gz MPCZHKHUZPCVAT-RRQGHBQHSA-N 2 2 377.882 3.995 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@H]2CCN(c3ccccc3F)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423137126 849770638 /nfs/dbraw/zinc/77/06/38/849770638.db2.gz HSINWQVXPSGFQQ-OAOOKAIFSA-N 2 2 383.511 3.744 20 0 GHADLP COC[C@@]1(C[NH2+][C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)CCC[NH2+]1 ZINC000423445677 849919953 /nfs/dbraw/zinc/91/99/53/849919953.db2.gz YMSARWZBZJOUCY-XOBRGWDASA-N 2 2 375.538 3.546 20 0 GHADLP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423529406 849957130 /nfs/dbraw/zinc/95/71/30/849957130.db2.gz VJBWXWPYHMBYAA-WCQYABFASA-N 2 2 396.354 3.520 20 0 GHADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000414759017 850042331 /nfs/dbraw/zinc/04/23/31/850042331.db2.gz ZIMPBQXPZVHGOS-SFHVURJKSA-N 2 2 387.553 3.513 20 0 GHADLP Cc1cc2cc(C[N@@H+](Cc3nccn3C)[C@H]3CC34CC[NH2+]CC4)oc2cc1C ZINC000435425108 850507401 /nfs/dbraw/zinc/50/74/01/850507401.db2.gz BWBBOZWGQQKAND-NRFANRHFSA-N 2 2 378.520 3.927 20 0 GHADLP Cc1cc2cc(C[N@H+](Cc3nccn3C)[C@H]3CC34CC[NH2+]CC4)oc2cc1C ZINC000435425108 850507405 /nfs/dbraw/zinc/50/74/05/850507405.db2.gz BWBBOZWGQQKAND-NRFANRHFSA-N 2 2 378.520 3.927 20 0 GHADLP FC(F)Oc1cccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435426739 850507977 /nfs/dbraw/zinc/50/79/77/850507977.db2.gz JHNNMLIQIFNKQX-INIZCTEOSA-N 2 2 379.476 3.889 20 0 GHADLP FC(F)Oc1cccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435426739 850507982 /nfs/dbraw/zinc/50/79/82/850507982.db2.gz JHNNMLIQIFNKQX-INIZCTEOSA-N 2 2 379.476 3.889 20 0 GHADLP FC(F)Oc1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435431307 850516074 /nfs/dbraw/zinc/51/60/74/850516074.db2.gz HZAVYGAMXDTZTP-INIZCTEOSA-N 2 2 379.476 3.889 20 0 GHADLP FC(F)Oc1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435431307 850516080 /nfs/dbraw/zinc/51/60/80/850516080.db2.gz HZAVYGAMXDTZTP-INIZCTEOSA-N 2 2 379.476 3.889 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1cc(C)c(OC)c(C)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435437877 850524916 /nfs/dbraw/zinc/52/49/16/850524916.db2.gz LYWOLPBUBDRTRO-HXUWFJFHSA-N 2 2 382.552 3.673 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1cc(C)c(OC)c(C)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435437877 850524924 /nfs/dbraw/zinc/52/49/24/850524924.db2.gz LYWOLPBUBDRTRO-HXUWFJFHSA-N 2 2 382.552 3.673 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000505110508 850631181 /nfs/dbraw/zinc/63/11/81/850631181.db2.gz UVGOVEFLWHMSHI-HXUWFJFHSA-N 2 2 396.441 3.968 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000505110508 850631186 /nfs/dbraw/zinc/63/11/86/850631186.db2.gz UVGOVEFLWHMSHI-HXUWFJFHSA-N 2 2 396.441 3.968 20 0 GHADLP C[N@H+](CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435629187 850725315 /nfs/dbraw/zinc/72/53/15/850725315.db2.gz WYWTWZWYAZXBOF-RBBKRZOGSA-N 2 2 385.939 3.620 20 0 GHADLP C[N@@H+](CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435629187 850725318 /nfs/dbraw/zinc/72/53/18/850725318.db2.gz WYWTWZWYAZXBOF-RBBKRZOGSA-N 2 2 385.939 3.620 20 0 GHADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000647940356 850778260 /nfs/dbraw/zinc/77/82/60/850778260.db2.gz VHRLNUMZVCTYGY-FIXISWKDSA-N 2 2 377.838 3.745 20 0 GHADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000647940356 850778268 /nfs/dbraw/zinc/77/82/68/850778268.db2.gz VHRLNUMZVCTYGY-FIXISWKDSA-N 2 2 377.838 3.745 20 0 GHADLP CC(C)(C)c1cc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)on1 ZINC000515313633 850907416 /nfs/dbraw/zinc/90/74/16/850907416.db2.gz VEXSGUYQDNBLAJ-GOSISDBHSA-N 2 2 398.551 3.801 20 0 GHADLP CC(C)(C)c1cc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)on1 ZINC000515313633 850907425 /nfs/dbraw/zinc/90/74/25/850907425.db2.gz VEXSGUYQDNBLAJ-GOSISDBHSA-N 2 2 398.551 3.801 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc2c(c1)OCCO2 ZINC000487880002 850949157 /nfs/dbraw/zinc/94/91/57/850949157.db2.gz NAQOCHLYINTVOJ-LJQANCHMSA-N 2 2 386.536 3.619 20 0 GHADLP O=C(CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc2c(c1)OCCO2 ZINC000487880002 850949164 /nfs/dbraw/zinc/94/91/64/850949164.db2.gz NAQOCHLYINTVOJ-LJQANCHMSA-N 2 2 386.536 3.619 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000604426573 862199150 /nfs/dbraw/zinc/19/91/50/862199150.db2.gz UOUPTRZZZLATKW-UHFFFAOYSA-N 2 2 391.519 3.714 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000515501760 851093267 /nfs/dbraw/zinc/09/32/67/851093267.db2.gz OYEDTMFHKMDONO-UHFFFAOYSA-N 2 2 392.503 3.904 20 0 GHADLP CN(C(=O)NC1CCC2(CC2)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000434454985 851157820 /nfs/dbraw/zinc/15/78/20/851157820.db2.gz UGAQYIUGDBWDBH-LEWJYISDSA-N 2 2 390.616 3.688 20 0 GHADLP CN(C(=O)NC1CCC2(CC2)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000434454985 851157828 /nfs/dbraw/zinc/15/78/28/851157828.db2.gz UGAQYIUGDBWDBH-LEWJYISDSA-N 2 2 390.616 3.688 20 0 GHADLP CN(CC[N@H+](C)Cc1sccc1NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000894453629 851331727 /nfs/dbraw/zinc/33/17/27/851331727.db2.gz HTEUYSZNLQMAFL-UHFFFAOYSA-N 2 2 396.601 3.553 20 0 GHADLP CN(CC[N@@H+](C)Cc1sccc1NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000894453629 851331736 /nfs/dbraw/zinc/33/17/36/851331736.db2.gz HTEUYSZNLQMAFL-UHFFFAOYSA-N 2 2 396.601 3.553 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000425139622 851490777 /nfs/dbraw/zinc/49/07/77/851490777.db2.gz CJYSENFBTBSZCW-FCHUYYIVSA-N 2 2 388.515 3.885 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@@H]1CC1CCCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000488441416 851505222 /nfs/dbraw/zinc/50/52/22/851505222.db2.gz OSTJUDVHAJEMNA-OAQYLSRUSA-N 2 2 384.568 3.555 20 0 GHADLP O=C(CC[N@H+]1CCC[C@@H]1CC1CCCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000488441416 851505228 /nfs/dbraw/zinc/50/52/28/851505228.db2.gz OSTJUDVHAJEMNA-OAQYLSRUSA-N 2 2 384.568 3.555 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCCCOc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434747626 851615350 /nfs/dbraw/zinc/61/53/50/851615350.db2.gz MHFDGAWLXODXTR-NZQKXSOJSA-N 2 2 384.568 3.984 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCCCOc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434747626 851615356 /nfs/dbraw/zinc/61/53/56/851615356.db2.gz MHFDGAWLXODXTR-NZQKXSOJSA-N 2 2 384.568 3.984 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCCCOc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434747626 851615360 /nfs/dbraw/zinc/61/53/60/851615360.db2.gz MHFDGAWLXODXTR-NZQKXSOJSA-N 2 2 384.568 3.984 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCCCOc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434747626 851615364 /nfs/dbraw/zinc/61/53/64/851615364.db2.gz MHFDGAWLXODXTR-NZQKXSOJSA-N 2 2 384.568 3.984 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(Br)n2)[C@H](C)C1 ZINC000925077300 851832262 /nfs/dbraw/zinc/83/22/62/851832262.db2.gz FHOFBSGCSWWBKH-PMPSAXMXSA-N 2 2 384.362 3.632 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(Br)n2)[C@H](C)C1 ZINC000925077300 851832263 /nfs/dbraw/zinc/83/22/63/851832263.db2.gz FHOFBSGCSWWBKH-PMPSAXMXSA-N 2 2 384.362 3.632 20 0 GHADLP CC1(C)C[N@H+](CC(=O)Nc2nccs2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836566 851838339 /nfs/dbraw/zinc/83/83/39/851838339.db2.gz OQNAYMHUVCBVNB-FQEVSTJZSA-N 2 2 398.576 3.704 20 0 GHADLP CC1(C)C[N@@H+](CC(=O)Nc2nccs2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836566 851838342 /nfs/dbraw/zinc/83/83/42/851838342.db2.gz OQNAYMHUVCBVNB-FQEVSTJZSA-N 2 2 398.576 3.704 20 0 GHADLP COCc1noc([C@@H](C)[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664836985 851876080 /nfs/dbraw/zinc/87/60/80/851876080.db2.gz YNDRXPPAZUTUIY-DYESRHJHSA-N 2 2 398.551 3.900 20 0 GHADLP COCc1noc([C@@H](C)[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664836985 851876083 /nfs/dbraw/zinc/87/60/83/851876083.db2.gz YNDRXPPAZUTUIY-DYESRHJHSA-N 2 2 398.551 3.900 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cc(O)cc(Cl)c3)CC2)cc1 ZINC000894729001 852048525 /nfs/dbraw/zinc/04/85/25/852048525.db2.gz NMFYNNKRBRQWSZ-UHFFFAOYSA-N 2 2 387.911 3.758 20 0 GHADLP CC[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000438274865 852194691 /nfs/dbraw/zinc/19/46/91/852194691.db2.gz XTLXRFTZZQIJKK-LJQANCHMSA-N 2 2 399.501 3.683 20 0 GHADLP CC[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000438274865 852194700 /nfs/dbraw/zinc/19/47/00/852194700.db2.gz XTLXRFTZZQIJKK-LJQANCHMSA-N 2 2 399.501 3.683 20 0 GHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425997278 852342631 /nfs/dbraw/zinc/34/26/31/852342631.db2.gz WUIVQTFJVQJSKY-HXUWFJFHSA-N 2 2 378.438 3.774 20 0 GHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425997278 852342639 /nfs/dbraw/zinc/34/26/39/852342639.db2.gz WUIVQTFJVQJSKY-HXUWFJFHSA-N 2 2 378.438 3.774 20 0 GHADLP C[NH+](Cc1cccc(C(F)(F)F)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425997278 852342643 /nfs/dbraw/zinc/34/26/43/852342643.db2.gz WUIVQTFJVQJSKY-HXUWFJFHSA-N 2 2 378.438 3.774 20 0 GHADLP C[NH+](Cc1cccc(C(F)(F)F)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425997278 852342650 /nfs/dbraw/zinc/34/26/50/852342650.db2.gz WUIVQTFJVQJSKY-HXUWFJFHSA-N 2 2 378.438 3.774 20 0 GHADLP Cc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000426899086 852533449 /nfs/dbraw/zinc/53/34/49/852533449.db2.gz YVKKUBRBUYYYPJ-HNNXBMFYSA-N 2 2 395.425 3.600 20 0 GHADLP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)[nH]c1C(C)C ZINC000894360084 852647580 /nfs/dbraw/zinc/64/75/80/852647580.db2.gz VHGMBABNFRMWDV-MRXNPFEDSA-N 2 2 384.524 3.635 20 0 GHADLP C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414941245 852706793 /nfs/dbraw/zinc/70/67/93/852706793.db2.gz LGFHEKFNIHUCRC-WZONZLPQSA-N 2 2 375.516 3.567 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc(OC)c1OCc1ccccc1 ZINC000490032676 852716994 /nfs/dbraw/zinc/71/69/94/852716994.db2.gz RBZUQMUFJOOPFY-XMMPIXPASA-N 2 2 396.531 3.858 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc(OC)c1OCc1ccccc1 ZINC000490032676 852717000 /nfs/dbraw/zinc/71/70/00/852717000.db2.gz RBZUQMUFJOOPFY-XMMPIXPASA-N 2 2 396.531 3.858 20 0 GHADLP Clc1cccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(-n3cncn3)cc2)c1 ZINC000518011905 852729040 /nfs/dbraw/zinc/72/90/40/852729040.db2.gz WPACUKDHDXGOMU-UHFFFAOYSA-N 2 2 392.894 3.820 20 0 GHADLP Clc1cccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(-n3cncn3)cc2)c1 ZINC000518011905 852729043 /nfs/dbraw/zinc/72/90/43/852729043.db2.gz WPACUKDHDXGOMU-UHFFFAOYSA-N 2 2 392.894 3.820 20 0 GHADLP C[NH+](C)CCCCCCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000151063449 853013585 /nfs/dbraw/zinc/01/35/85/853013585.db2.gz JELBHMZSRGOKKG-FGZHOGPDSA-N 2 2 397.567 3.923 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000439081110 853265932 /nfs/dbraw/zinc/26/59/32/853265932.db2.gz XCJNGZIGGVEMGY-INIZCTEOSA-N 2 2 378.476 3.749 20 0 GHADLP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000518628646 853588348 /nfs/dbraw/zinc/58/83/48/853588348.db2.gz GPSBQFIKPKHOBZ-HOTGVXAUSA-N 2 2 379.574 3.513 20 0 GHADLP Cc1cccc(C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC(C)C)c1 ZINC000519908451 853599752 /nfs/dbraw/zinc/59/97/52/853599752.db2.gz YYNPOHDPLUVGBD-UHFFFAOYSA-N 2 2 394.563 3.587 20 0 GHADLP Cc1cccc(C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC(C)C)c1 ZINC000519908451 853599757 /nfs/dbraw/zinc/59/97/57/853599757.db2.gz YYNPOHDPLUVGBD-UHFFFAOYSA-N 2 2 394.563 3.587 20 0 GHADLP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000556045073 862483691 /nfs/dbraw/zinc/48/36/91/862483691.db2.gz RUUISRFRNWYUQP-MISYRCLQSA-N 2 2 395.547 3.590 20 0 GHADLP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000556045073 862483699 /nfs/dbraw/zinc/48/36/99/862483699.db2.gz RUUISRFRNWYUQP-MISYRCLQSA-N 2 2 395.547 3.590 20 0 GHADLP Cc1cccn2cc(CC[NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)nc12 ZINC000156327778 853652896 /nfs/dbraw/zinc/65/28/96/853652896.db2.gz REWPYURPNJSKPO-UHFFFAOYSA-N 2 2 377.536 3.510 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c(C)c1 ZINC000440865998 853712007 /nfs/dbraw/zinc/71/20/07/853712007.db2.gz YVEAPGJLTYNSOY-LEWJYISDSA-N 2 2 399.583 3.907 20 0 GHADLP CCC1CCC([N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)CC1 ZINC000520129643 853863169 /nfs/dbraw/zinc/86/31/69/853863169.db2.gz DRTPGDCKTWBTJX-UHFFFAOYSA-N 2 2 384.568 3.554 20 0 GHADLP CCC1CCC([N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)CC1 ZINC000520129643 853863175 /nfs/dbraw/zinc/86/31/75/853863175.db2.gz DRTPGDCKTWBTJX-UHFFFAOYSA-N 2 2 384.568 3.554 20 0 GHADLP C[C@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+](C2CCC2)C1 ZINC000571710105 853996412 /nfs/dbraw/zinc/99/64/12/853996412.db2.gz GFHYINGYHVEQFD-GCJKJVERSA-N 2 2 387.543 3.513 20 0 GHADLP C[C@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@H+](C2CCC2)C1 ZINC000571710105 853996421 /nfs/dbraw/zinc/99/64/21/853996421.db2.gz GFHYINGYHVEQFD-GCJKJVERSA-N 2 2 387.543 3.513 20 0 GHADLP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+](C2CCC2)C1 ZINC000571710105 853996429 /nfs/dbraw/zinc/99/64/29/853996429.db2.gz GFHYINGYHVEQFD-GCJKJVERSA-N 2 2 387.543 3.513 20 0 GHADLP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC[NH+](C2CCC2)C1 ZINC000571710105 853996435 /nfs/dbraw/zinc/99/64/35/853996435.db2.gz GFHYINGYHVEQFD-GCJKJVERSA-N 2 2 387.543 3.513 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2cccc(F)c2)c(C)c1 ZINC000441378605 854163072 /nfs/dbraw/zinc/16/30/72/854163072.db2.gz HYACXQHBNSGZKR-UTKZUKDTSA-N 2 2 380.467 3.997 20 0 GHADLP CC(C)c1ccc([C@@H](CNC(=O)C[NH+](C)C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000589311220 854804587 /nfs/dbraw/zinc/80/45/87/854804587.db2.gz FHUOSPZCNKRXET-HXUWFJFHSA-N 2 2 385.577 3.649 20 0 GHADLP CC(C)c1ccc([C@@H](CNC(=O)C[NH+](C)C)[N@H+]2CCc3sccc3C2)cc1 ZINC000589311220 854804591 /nfs/dbraw/zinc/80/45/91/854804591.db2.gz FHUOSPZCNKRXET-HXUWFJFHSA-N 2 2 385.577 3.649 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1F ZINC000189080565 855003560 /nfs/dbraw/zinc/00/35/60/855003560.db2.gz AUEFGGQSKSIIJK-UHFFFAOYSA-N 2 2 393.441 3.994 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000624085819 862635341 /nfs/dbraw/zinc/63/53/41/862635341.db2.gz DWKBQRGNPQHMSK-WBAXXEDZSA-N 2 2 384.351 3.559 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000624085819 862635345 /nfs/dbraw/zinc/63/53/45/862635345.db2.gz DWKBQRGNPQHMSK-WBAXXEDZSA-N 2 2 384.351 3.559 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C(c1ccccc1)c1ccccc1 ZINC000482020435 862637503 /nfs/dbraw/zinc/63/75/03/862637503.db2.gz YCCKQSOSBGYXDH-REWPJTCUSA-N 2 2 393.575 3.739 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C(c1ccccc1)c1ccccc1 ZINC000482020435 862637509 /nfs/dbraw/zinc/63/75/09/862637509.db2.gz YCCKQSOSBGYXDH-REWPJTCUSA-N 2 2 393.575 3.739 20 0 GHADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000115614279 855083228 /nfs/dbraw/zinc/08/32/28/855083228.db2.gz ZIFUKTKMIKMXHJ-UHFFFAOYSA-N 2 2 398.457 3.661 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1OCc1c(C)noc1C ZINC000655855746 855284169 /nfs/dbraw/zinc/28/41/69/855284169.db2.gz HRTNWIWTBILNJH-RTWAWAEBSA-N 2 2 399.535 3.986 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1OCc1c(C)noc1C ZINC000655855746 855284180 /nfs/dbraw/zinc/28/41/80/855284180.db2.gz HRTNWIWTBILNJH-RTWAWAEBSA-N 2 2 399.535 3.986 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000282504721 862690285 /nfs/dbraw/zinc/69/02/85/862690285.db2.gz NXIPNEIFWKRPHV-TZIWHRDSSA-N 2 2 392.547 3.561 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000282504721 862690286 /nfs/dbraw/zinc/69/02/86/862690286.db2.gz NXIPNEIFWKRPHV-TZIWHRDSSA-N 2 2 392.547 3.561 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190649722 855591781 /nfs/dbraw/zinc/59/17/81/855591781.db2.gz ONPVWGAYGQPLOG-RBUKOAKNSA-N 2 2 389.588 3.520 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000190649722 855591788 /nfs/dbraw/zinc/59/17/88/855591788.db2.gz ONPVWGAYGQPLOG-RBUKOAKNSA-N 2 2 389.588 3.520 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591082608 855751692 /nfs/dbraw/zinc/75/16/92/855751692.db2.gz RUEYDYLAIZEQEZ-IRLDBZIGSA-N 2 2 390.487 3.909 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591082608 855751698 /nfs/dbraw/zinc/75/16/98/855751698.db2.gz RUEYDYLAIZEQEZ-IRLDBZIGSA-N 2 2 390.487 3.909 20 0 GHADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc3ccccc3C1)CCS2 ZINC000427602982 855774706 /nfs/dbraw/zinc/77/47/06/855774706.db2.gz IGGHILQEXVURBC-IFMALSPDSA-N 2 2 382.573 3.849 20 0 GHADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc3ccccc3C1)CCS2 ZINC000427602982 855774708 /nfs/dbraw/zinc/77/47/08/855774708.db2.gz IGGHILQEXVURBC-IFMALSPDSA-N 2 2 382.573 3.849 20 0 GHADLP Cc1ccc(N2CCC(C(=O)N(CC[NH+](C)C)Cc3cccc(C)c3)CC2)[nH+]c1 ZINC000171337490 856095727 /nfs/dbraw/zinc/09/57/27/856095727.db2.gz ZMLAHYYJSAKWTP-UHFFFAOYSA-N 2 2 394.563 3.505 20 0 GHADLP Brc1c[nH]c(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)n1 ZINC000921733277 856099949 /nfs/dbraw/zinc/09/99/49/856099949.db2.gz FVKLQHVBPQLGLL-UHFFFAOYSA-N 2 2 377.330 3.838 20 0 GHADLP Clc1ccc(-c2noc(CC[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)n2)cc1 ZINC000109350005 856281127 /nfs/dbraw/zinc/28/11/27/856281127.db2.gz DQWJAVAKWXRQAL-UHFFFAOYSA-N 2 2 379.851 3.908 20 0 GHADLP Cc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000605165597 862818471 /nfs/dbraw/zinc/81/84/71/862818471.db2.gz LREJSXWWSNKLEF-IEBWSBKVSA-N 2 2 378.442 3.977 20 0 GHADLP Cc1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000605165597 862818479 /nfs/dbraw/zinc/81/84/79/862818479.db2.gz LREJSXWWSNKLEF-IEBWSBKVSA-N 2 2 378.442 3.977 20 0 GHADLP COc1ccc(C[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccc(OC)cc2)cc1 ZINC000427863461 856821502 /nfs/dbraw/zinc/82/15/02/856821502.db2.gz BKYAFKFNBWUZEP-DENIHFKCSA-N 2 2 377.488 3.789 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000508054334 856837915 /nfs/dbraw/zinc/83/79/15/856837915.db2.gz UZUIMNCSAPAXQO-UHFFFAOYSA-N 2 2 393.575 3.993 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000508054334 856837922 /nfs/dbraw/zinc/83/79/22/856837922.db2.gz UZUIMNCSAPAXQO-UHFFFAOYSA-N 2 2 393.575 3.993 20 0 GHADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000508054334 856837932 /nfs/dbraw/zinc/83/79/32/856837932.db2.gz UZUIMNCSAPAXQO-UHFFFAOYSA-N 2 2 393.575 3.993 20 0 GHADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000508054334 856837936 /nfs/dbraw/zinc/83/79/36/856837936.db2.gz UZUIMNCSAPAXQO-UHFFFAOYSA-N 2 2 393.575 3.993 20 0 GHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCCCC[NH+]3CCCC3)c2C1 ZINC000508152121 856970821 /nfs/dbraw/zinc/97/08/21/856970821.db2.gz SSKBPLVWWSPBOL-UHFFFAOYSA-N 2 2 394.563 3.609 20 0 GHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCCCC[NH+]3CCCC3)c2C1 ZINC000508152121 856970827 /nfs/dbraw/zinc/97/08/27/856970827.db2.gz SSKBPLVWWSPBOL-UHFFFAOYSA-N 2 2 394.563 3.609 20 0 GHADLP COc1ccc(C[C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1OC ZINC000665252720 857005345 /nfs/dbraw/zinc/00/53/45/857005345.db2.gz XKNDGNADGFOVOK-WIBUTAKZSA-N 2 2 390.474 3.648 20 0 GHADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000665252775 857007354 /nfs/dbraw/zinc/00/73/54/857007354.db2.gz YTPFEKZMMDYJRS-FQELHTAISA-N 2 2 387.474 3.726 20 0 GHADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c(C)c1 ZINC000665252982 857016390 /nfs/dbraw/zinc/01/63/90/857016390.db2.gz BXRCUAJKLNTWBW-UCNVEGJOSA-N 2 2 383.511 3.895 20 0 GHADLP C[C@@H]1CN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001128960618 857100413 /nfs/dbraw/zinc/10/04/13/857100413.db2.gz BISNWZDKAOMACV-AVRDEDQJSA-N 2 2 399.966 3.923 20 0 GHADLP C[C@@H]1CN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001128960618 857100415 /nfs/dbraw/zinc/10/04/15/857100415.db2.gz BISNWZDKAOMACV-AVRDEDQJSA-N 2 2 399.966 3.923 20 0 GHADLP CCCC[C@H]1CCC[C@@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465943681 857165251 /nfs/dbraw/zinc/16/52/51/857165251.db2.gz QELQYAKFFBIRJQ-PMACEKPBSA-N 2 2 378.605 3.595 20 0 GHADLP CCOC(=O)c1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)nc1 ZINC000593029314 857184315 /nfs/dbraw/zinc/18/43/15/857184315.db2.gz BAMFNDRBUUYZLG-KRWDZBQOSA-N 2 2 387.549 3.582 20 0 GHADLP CCOC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)nc1 ZINC000593029314 857184319 /nfs/dbraw/zinc/18/43/19/857184319.db2.gz BAMFNDRBUUYZLG-KRWDZBQOSA-N 2 2 387.549 3.582 20 0 GHADLP CCOC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)nc1 ZINC000593029314 857184328 /nfs/dbraw/zinc/18/43/28/857184328.db2.gz BAMFNDRBUUYZLG-KRWDZBQOSA-N 2 2 387.549 3.582 20 0 GHADLP CCOC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)nc1 ZINC000593029314 857184335 /nfs/dbraw/zinc/18/43/35/857184335.db2.gz BAMFNDRBUUYZLG-KRWDZBQOSA-N 2 2 387.549 3.582 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181447003 862882717 /nfs/dbraw/zinc/88/27/17/862882717.db2.gz NFYFVFAPGRCNGT-GDBMZVCRSA-N 2 2 382.414 3.607 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058807736 857363950 /nfs/dbraw/zinc/36/39/50/857363950.db2.gz XKEGASPEGIQKTE-FPOVZHCZSA-N 2 2 389.609 3.547 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058807736 857363965 /nfs/dbraw/zinc/36/39/65/857363965.db2.gz XKEGASPEGIQKTE-FPOVZHCZSA-N 2 2 389.609 3.547 20 0 GHADLP CC[N@H+](CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000181498800 862903429 /nfs/dbraw/zinc/90/34/29/862903429.db2.gz APOQYORFHHYXCJ-UHFFFAOYSA-N 2 2 384.351 3.558 20 0 GHADLP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000181498800 862903439 /nfs/dbraw/zinc/90/34/39/862903439.db2.gz APOQYORFHHYXCJ-UHFFFAOYSA-N 2 2 384.351 3.558 20 0 GHADLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3nc4ccccc4[nH]3)CC2)c1C ZINC000574266406 857480965 /nfs/dbraw/zinc/48/09/65/857480965.db2.gz ZMWFXCOHOHJOKA-UHFFFAOYSA-N 2 2 393.535 3.680 20 0 GHADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCc3nc(-c4ccccc4)no3)C2)n2c1CCCC2 ZINC000282239599 857519631 /nfs/dbraw/zinc/51/96/31/857519631.db2.gz ZWUCOEQRQWNKSF-GOSISDBHSA-N 2 2 377.492 3.692 20 0 GHADLP c1[nH+]c([C@@H]2CCC[N@H+](CCc3nc(-c4ccccc4)no3)C2)n2c1CCCC2 ZINC000282239599 857519640 /nfs/dbraw/zinc/51/96/40/857519640.db2.gz ZWUCOEQRQWNKSF-GOSISDBHSA-N 2 2 377.492 3.692 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)c1ccc(F)cc1 ZINC000521062600 857573223 /nfs/dbraw/zinc/57/32/23/857573223.db2.gz SONXWGOWIGBOOK-RBUKOAKNSA-N 2 2 377.891 3.501 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cccc(C[NH+](C)C)c2)c(C)c1 ZINC000442174980 857583138 /nfs/dbraw/zinc/58/31/38/857583138.db2.gz NVRCHUFTKJKDFA-QFIPXVFZSA-N 2 2 376.504 3.733 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000442247782 857652862 /nfs/dbraw/zinc/65/28/62/857652862.db2.gz FIVLTZVLQUZOGV-IRLDBZIGSA-N 2 2 397.567 3.757 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c(C)c1 ZINC000442247782 857652866 /nfs/dbraw/zinc/65/28/66/857652866.db2.gz FIVLTZVLQUZOGV-IRLDBZIGSA-N 2 2 397.567 3.757 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064026419 857680454 /nfs/dbraw/zinc/68/04/54/857680454.db2.gz MVXTYPOYJNPXCS-UHFFFAOYSA-N 2 2 378.520 3.598 20 0 GHADLP c1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n(CCc2ccccc2)n1 ZINC000675930143 857681175 /nfs/dbraw/zinc/68/11/75/857681175.db2.gz GPBISTOABHQBEV-UHFFFAOYSA-N 2 2 388.559 3.923 20 0 GHADLP C[N@H+](CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442762344 858102152 /nfs/dbraw/zinc/10/21/52/858102152.db2.gz HCJMBDIQDFZKMO-PJEZACDQSA-N 2 2 383.580 3.862 20 0 GHADLP C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442762344 858102156 /nfs/dbraw/zinc/10/21/56/858102156.db2.gz HCJMBDIQDFZKMO-PJEZACDQSA-N 2 2 383.580 3.862 20 0 GHADLP COCCC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cc1 ZINC000442872547 858189356 /nfs/dbraw/zinc/18/93/56/858189356.db2.gz ZAKKXAXCJSKFCY-SFTDATJTSA-N 2 2 386.515 3.941 20 0 GHADLP Ic1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CC2 ZINC000595018589 858351810 /nfs/dbraw/zinc/35/18/10/858351810.db2.gz SOGGUSGPYSPRPW-INIZCTEOSA-N 2 2 381.261 3.545 20 0 GHADLP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000595048938 858378945 /nfs/dbraw/zinc/37/89/45/858378945.db2.gz HTXMXTNNQVRNRB-JEYLPNPQSA-N 2 2 378.479 3.749 20 0 GHADLP CC[C@@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[NH+](CC)CC ZINC000605425065 863022935 /nfs/dbraw/zinc/02/29/35/863022935.db2.gz RFEGQAYKTGQSJX-ROUUACIJSA-N 2 2 383.939 3.853 20 0 GHADLP CC(C)N(Cc1cccs1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466141568 858457971 /nfs/dbraw/zinc/45/79/71/858457971.db2.gz FNQUUKVYQURYQV-UHFFFAOYSA-N 2 2 392.613 3.618 20 0 GHADLP O=c1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c2cc3c(cc2o1)CCC3 ZINC000761116978 858558351 /nfs/dbraw/zinc/55/83/51/858558351.db2.gz GUHWTUAONCMYIQ-UHFFFAOYSA-N 2 2 375.472 3.753 20 0 GHADLP CC(C)CC[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000115675733 858613873 /nfs/dbraw/zinc/61/38/73/858613873.db2.gz RRRVYPJISYXDFS-FQEVSTJZSA-N 2 2 380.621 3.695 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000482795456 858869785 /nfs/dbraw/zinc/86/97/85/858869785.db2.gz ZFLVHHYNXDMOIF-DYVFJYSZSA-N 2 2 377.330 3.516 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000482795456 858869792 /nfs/dbraw/zinc/86/97/92/858869792.db2.gz ZFLVHHYNXDMOIF-DYVFJYSZSA-N 2 2 377.330 3.516 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2s1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000184377361 858923733 /nfs/dbraw/zinc/92/37/33/858923733.db2.gz XBFJIASVOQQCTQ-DLBZAZTESA-N 2 2 394.544 3.684 20 0 GHADLP COCCC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000157685860 858930676 /nfs/dbraw/zinc/93/06/76/858930676.db2.gz YBXBTRJTPZXUHI-MOPGFXCFSA-N 2 2 381.358 3.991 20 0 GHADLP COCCC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000157685860 858930682 /nfs/dbraw/zinc/93/06/82/858930682.db2.gz YBXBTRJTPZXUHI-MOPGFXCFSA-N 2 2 381.358 3.991 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(-n2cccn2)c1 ZINC000429684505 859016530 /nfs/dbraw/zinc/01/65/30/859016530.db2.gz MUYMMQITEOZMAA-RDPSFJRHSA-N 2 2 390.531 3.814 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(-n2cccn2)c1 ZINC000429684505 859016538 /nfs/dbraw/zinc/01/65/38/859016538.db2.gz MUYMMQITEOZMAA-RDPSFJRHSA-N 2 2 390.531 3.814 20 0 GHADLP Brc1cccc(OCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000543248844 859033709 /nfs/dbraw/zinc/03/37/09/859033709.db2.gz FJHWVJGHMZQWCS-UHFFFAOYSA-N 2 2 378.295 3.865 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(F)c(F)c(F)c3)C2)ccn1 ZINC000856552524 881375641 /nfs/dbraw/zinc/37/56/41/881375641.db2.gz DLINDMIVZZLAET-KRWDZBQOSA-N 2 2 379.426 3.604 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(F)c(F)c(F)c3)C2)ccn1 ZINC000856552524 881375655 /nfs/dbraw/zinc/37/56/55/881375655.db2.gz DLINDMIVZZLAET-KRWDZBQOSA-N 2 2 379.426 3.604 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(F)c(F)c(F)c3)C2)ccn1 ZINC000856552524 881375676 /nfs/dbraw/zinc/37/56/76/881375676.db2.gz DLINDMIVZZLAET-KRWDZBQOSA-N 2 2 379.426 3.604 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(F)c(F)c(F)c3)C2)ccn1 ZINC000856552524 881375693 /nfs/dbraw/zinc/37/56/93/881375693.db2.gz DLINDMIVZZLAET-KRWDZBQOSA-N 2 2 379.426 3.604 20 0 GHADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000479432499 859070956 /nfs/dbraw/zinc/07/09/56/859070956.db2.gz QSUXPFUVVSSDOT-IFMALSPDSA-N 2 2 396.531 3.572 20 0 GHADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000479432499 859070964 /nfs/dbraw/zinc/07/09/64/859070964.db2.gz QSUXPFUVVSSDOT-IFMALSPDSA-N 2 2 396.531 3.572 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1nc2ccc(F)cc2s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185767707 859126896 /nfs/dbraw/zinc/12/68/96/859126896.db2.gz YVFMREMZGKCVMN-KBPBESRZSA-N 2 2 390.528 3.617 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1nc2ccc(F)cc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185767707 859126899 /nfs/dbraw/zinc/12/68/99/859126899.db2.gz YVFMREMZGKCVMN-KBPBESRZSA-N 2 2 390.528 3.617 20 0 GHADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(Br)o3)CC2)C[C@H](C)O1 ZINC000483291241 859274484 /nfs/dbraw/zinc/27/44/84/859274484.db2.gz BEGOXBNOOHCSKJ-GJZGRUSLSA-N 2 2 385.346 3.753 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](c3ccccc3)C3CCCC3)CC2)CC1 ZINC000051761404 859314074 /nfs/dbraw/zinc/31/40/74/859314074.db2.gz KRMXXNYUHSYUJM-HSZRJFAPSA-N 2 2 398.595 3.776 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccc(Cl)cc3Br)CC[C@@H]21 ZINC000483468211 859394936 /nfs/dbraw/zinc/39/49/36/859394936.db2.gz BYXBHBRGLXBDJV-BBRMVZONSA-N 2 2 387.749 3.897 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccc(Cl)cc3Br)CC[C@@H]21 ZINC000483468211 859394940 /nfs/dbraw/zinc/39/49/40/859394940.db2.gz BYXBHBRGLXBDJV-BBRMVZONSA-N 2 2 387.749 3.897 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccc(Cl)cc3Br)CC[C@@H]21 ZINC000483468211 859394946 /nfs/dbraw/zinc/39/49/46/859394946.db2.gz BYXBHBRGLXBDJV-BBRMVZONSA-N 2 2 387.749 3.897 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccc(Cl)cc3Br)CC[C@@H]21 ZINC000483468211 859394949 /nfs/dbraw/zinc/39/49/49/859394949.db2.gz BYXBHBRGLXBDJV-BBRMVZONSA-N 2 2 387.749 3.897 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@H]3Cc4cccc(Cl)c4C3)CC2)C1 ZINC001168720163 859413420 /nfs/dbraw/zinc/41/34/20/859413420.db2.gz GYHMGGGKXPUMJR-HKUYNNGSSA-N 2 2 390.955 3.547 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H]3Cc4cccc(Cl)c4C3)CC2)C1 ZINC001168720163 859413423 /nfs/dbraw/zinc/41/34/23/859413423.db2.gz GYHMGGGKXPUMJR-HKUYNNGSSA-N 2 2 390.955 3.547 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4cc(N5CCCCC5)[nH+]cn4)C3)C2)cc1 ZINC000474176934 859529563 /nfs/dbraw/zinc/52/95/63/859529563.db2.gz NBLZULJCISRURE-XMMPIXPASA-N 2 2 391.563 3.959 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@]3(CCN(c4cc(N5CCCCC5)[nH+]cn4)C3)C2)cc1 ZINC000474176934 859529586 /nfs/dbraw/zinc/52/95/86/859529586.db2.gz NBLZULJCISRURE-XMMPIXPASA-N 2 2 391.563 3.959 20 0 GHADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000626088162 859530525 /nfs/dbraw/zinc/53/05/25/859530525.db2.gz OCQZMHWVWZMCTP-UHFFFAOYSA-N 2 2 395.547 3.737 20 0 GHADLP CC[C@@H](C)[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000483750333 859589543 /nfs/dbraw/zinc/58/95/43/859589543.db2.gz UOVSALXFOQTMBL-GCJKJVERSA-N 2 2 394.003 3.813 20 0 GHADLP Cc1ccc(C)c([C@H]2CCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000474229692 859650681 /nfs/dbraw/zinc/65/06/81/859650681.db2.gz QVCXDGSNUQDFBZ-JOCHJYFZSA-N 2 2 392.547 3.574 20 0 GHADLP Cc1ccc(C)c([C@H]2CCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000474229692 859650683 /nfs/dbraw/zinc/65/06/83/859650683.db2.gz QVCXDGSNUQDFBZ-JOCHJYFZSA-N 2 2 392.547 3.574 20 0 GHADLP O[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000895676974 859782361 /nfs/dbraw/zinc/78/23/61/859782361.db2.gz GSZSTUAIQDETSS-CWRNSKLLSA-N 2 2 378.385 3.503 20 0 GHADLP O[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000895676974 859782368 /nfs/dbraw/zinc/78/23/68/859782368.db2.gz GSZSTUAIQDETSS-CWRNSKLLSA-N 2 2 378.385 3.503 20 0 GHADLP CC(=O)CCCCCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000765198084 859832045 /nfs/dbraw/zinc/83/20/45/859832045.db2.gz VHKGJYDJNSNEEH-VXKWHMMOSA-N 2 2 393.616 3.712 20 0 GHADLP CC(=O)CCCCCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000765198084 859832055 /nfs/dbraw/zinc/83/20/55/859832055.db2.gz VHKGJYDJNSNEEH-VXKWHMMOSA-N 2 2 393.616 3.712 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+](Cc2csc(N(C(C)=O)C3CC3)n2)CC1 ZINC000114722956 859855162 /nfs/dbraw/zinc/85/51/62/859855162.db2.gz UFMWSCXYJRMRNJ-UHFFFAOYSA-N 2 2 378.586 3.602 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2csc(N(C(C)=O)C3CC3)n2)CC1 ZINC000114722956 859855171 /nfs/dbraw/zinc/85/51/71/859855171.db2.gz UFMWSCXYJRMRNJ-UHFFFAOYSA-N 2 2 378.586 3.602 20 0 GHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484163257 859856087 /nfs/dbraw/zinc/85/60/87/859856087.db2.gz PZDAJEPCFMDVQS-CDXJDZJCSA-N 2 2 388.939 3.882 20 0 GHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484163257 859856096 /nfs/dbraw/zinc/85/60/96/859856096.db2.gz PZDAJEPCFMDVQS-CDXJDZJCSA-N 2 2 388.939 3.882 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765252056 859866015 /nfs/dbraw/zinc/86/60/15/859866015.db2.gz PWCVAYNDIYVSHC-APWZRJJASA-N 2 2 390.959 3.978 20 0 GHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765252073 859866609 /nfs/dbraw/zinc/86/66/09/859866609.db2.gz QCUFEZUCSIXNKN-CJNGLKHVSA-N 2 2 385.480 3.645 20 0 GHADLP COc1ccc2c(NCc3ccccc3OCC[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000765487207 859992231 /nfs/dbraw/zinc/99/22/31/859992231.db2.gz FYOBXMVTUZWNKF-UHFFFAOYSA-N 2 2 393.487 3.567 20 0 GHADLP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000474421003 860031566 /nfs/dbraw/zinc/03/15/66/860031566.db2.gz JCWYLDGZYBJWJI-KRWDZBQOSA-N 2 2 384.351 3.951 20 0 GHADLP COc1cc2c(cc1OC)[C@H]([NH2+]C1CC[NH+]([C@H](C)c3ccncc3)CC1)CC2 ZINC000280270881 860094038 /nfs/dbraw/zinc/09/40/38/860094038.db2.gz XWDONLGKUKGTTG-IIBYNOLFSA-N 2 2 381.520 3.901 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccccc1 ZINC000474437601 860097599 /nfs/dbraw/zinc/09/75/99/860097599.db2.gz XZEOVTIHTMHSPA-GHTZIAJQSA-N 2 2 382.552 3.837 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccccc1 ZINC000474437601 860097610 /nfs/dbraw/zinc/09/76/10/860097610.db2.gz XZEOVTIHTMHSPA-GHTZIAJQSA-N 2 2 382.552 3.837 20 0 GHADLP CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001170388024 881503585 /nfs/dbraw/zinc/50/35/85/881503585.db2.gz XRHOXRUZKHXGPL-BJKOFHAPSA-N 2 2 394.559 3.992 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000533848421 860241634 /nfs/dbraw/zinc/24/16/34/860241634.db2.gz SOYZFUFBZOGUPN-ZHRRBRCNSA-N 2 2 389.503 3.728 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000533848421 860241646 /nfs/dbraw/zinc/24/16/46/860241646.db2.gz SOYZFUFBZOGUPN-ZHRRBRCNSA-N 2 2 389.503 3.728 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000602813872 860310976 /nfs/dbraw/zinc/31/09/76/860310976.db2.gz ZVBCXIXFPFBOIF-HOTGVXAUSA-N 2 2 387.549 3.566 20 0 GHADLP CSCc1cnc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000508968196 860344448 /nfs/dbraw/zinc/34/44/48/860344448.db2.gz VXYSCYLVONHIIK-HOTGVXAUSA-N 2 2 383.627 3.717 20 0 GHADLP c1sc(-c2ccccn2)nc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904471395 860464458 /nfs/dbraw/zinc/46/44/58/860464458.db2.gz ANUSAXFIYTYCDS-NQIIRXRSSA-N 2 2 378.501 3.551 20 0 GHADLP Cc1ccc(-c2csc(C[N@@H+]3CCN(C4CC[NH+](C)CC4)[C@H](C)C3)n2)cc1 ZINC000509008815 860522805 /nfs/dbraw/zinc/52/28/05/860522805.db2.gz RJCUWGPMODVEIF-GOSISDBHSA-N 2 2 384.593 3.719 20 0 GHADLP Cc1ccc(-c2csc(C[N@H+]3CCN(C4CC[NH+](C)CC4)[C@H](C)C3)n2)cc1 ZINC000509008815 860522817 /nfs/dbraw/zinc/52/28/17/860522817.db2.gz RJCUWGPMODVEIF-GOSISDBHSA-N 2 2 384.593 3.719 20 0 GHADLP Cc1ccc(CCC[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cn1 ZINC000474721515 860678688 /nfs/dbraw/zinc/67/86/88/860678688.db2.gz HJSAHEQWGRUDEY-UHFFFAOYSA-N 2 2 386.971 3.778 20 0 GHADLP Clc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c(-n2cncn2)c1 ZINC000474821282 860816207 /nfs/dbraw/zinc/81/62/07/860816207.db2.gz KREQKPVXJVFGSB-HXUWFJFHSA-N 2 2 381.911 3.675 20 0 GHADLP Clc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c(-n2cncn2)c1 ZINC000474821282 860816213 /nfs/dbraw/zinc/81/62/13/860816213.db2.gz KREQKPVXJVFGSB-HXUWFJFHSA-N 2 2 381.911 3.675 20 0 GHADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000555430405 860876654 /nfs/dbraw/zinc/87/66/54/860876654.db2.gz ZAQVFZOYBSMJJS-BWAGFHJFSA-N 2 2 392.632 3.934 20 0 GHADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000555430405 860876666 /nfs/dbraw/zinc/87/66/66/860876666.db2.gz ZAQVFZOYBSMJJS-BWAGFHJFSA-N 2 2 392.632 3.934 20 0 GHADLP C[N@@H+]1CC[C@@H]([NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623358233 860915884 /nfs/dbraw/zinc/91/58/84/860915884.db2.gz UYVIDQGRTQDWSS-QZTJIDSGSA-N 2 2 397.485 3.831 20 0 GHADLP C[N@H+]1CC[C@@H]([NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623358233 860915896 /nfs/dbraw/zinc/91/58/96/860915896.db2.gz UYVIDQGRTQDWSS-QZTJIDSGSA-N 2 2 397.485 3.831 20 0 GHADLP Fc1ccc(Oc2nc3ccccn3c2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000623360897 860921574 /nfs/dbraw/zinc/92/15/74/860921574.db2.gz DBLBCFPEZDUWME-QZTJIDSGSA-N 2 2 380.467 3.982 20 0 GHADLP Fc1ccc(Oc2nc3ccccn3c2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000623360897 860921583 /nfs/dbraw/zinc/92/15/83/860921583.db2.gz DBLBCFPEZDUWME-QZTJIDSGSA-N 2 2 380.467 3.982 20 0 GHADLP COc1ccc([C@H](C)[NH+](C)CC(O)C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000194382157 863213744 /nfs/dbraw/zinc/21/37/44/863213744.db2.gz RIKHPZRHZHMYDM-ROUUACIJSA-N 2 2 386.536 3.751 20 0 GHADLP COc1ccc([C@H](C)[NH+](C)CC(O)C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000194382157 863213758 /nfs/dbraw/zinc/21/37/58/863213758.db2.gz RIKHPZRHZHMYDM-ROUUACIJSA-N 2 2 386.536 3.751 20 0 GHADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000182616364 863303858 /nfs/dbraw/zinc/30/38/58/863303858.db2.gz KSLPPUBQFPUNAH-HSZRJFAPSA-N 2 2 384.495 3.704 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CCCC1)c1ccccc1 ZINC000183001738 863441479 /nfs/dbraw/zinc/44/14/79/863441479.db2.gz IYSCNJRAKBJSMH-SXLOBPIMSA-N 2 2 378.582 3.595 20 0 GHADLP O=C(Nc1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1)c1ccccc1Cl ZINC000494405428 881678472 /nfs/dbraw/zinc/67/84/72/881678472.db2.gz NFFUDPNKMJFYQO-MRXNPFEDSA-N 2 2 380.879 3.893 20 0 GHADLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(Cl)ccc1Cl ZINC000159206564 864067179 /nfs/dbraw/zinc/06/71/79/864067179.db2.gz XXRHGHHYPJTZJG-AWEZNQCLSA-N 2 2 379.335 3.991 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccc4c(c3)COC4)CC2)c1 ZINC000480253082 864332244 /nfs/dbraw/zinc/33/22/44/864332244.db2.gz VOZVMBJZSICXMQ-HXUWFJFHSA-N 2 2 379.548 3.888 20 0 GHADLP O[C@]1(C[NH2+]Cc2cccc(OC3CCCC3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366528 864352712 /nfs/dbraw/zinc/35/27/12/864352712.db2.gz NBJAUWUARYTMMB-DEOSSOPVSA-N 2 2 380.532 3.735 20 0 GHADLP O[C@]1(C[NH2+]Cc2cccc(OC3CCCC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366528 864352724 /nfs/dbraw/zinc/35/27/24/864352724.db2.gz NBJAUWUARYTMMB-DEOSSOPVSA-N 2 2 380.532 3.735 20 0 GHADLP COc1cc2c(cc1C[N@H+]1CCC[C@H](c3[nH+]cc4n3CCCC4)C1)O[C@H](C)C2 ZINC000554558746 864549048 /nfs/dbraw/zinc/54/90/48/864549048.db2.gz SYQSKRHKJPLOSQ-SJORKVTESA-N 2 2 381.520 3.931 20 0 GHADLP CC(C)n1cc([C@@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000163936100 864579534 /nfs/dbraw/zinc/57/95/34/864579534.db2.gz UXERDKVVMJTDAT-OAQYLSRUSA-N 2 2 383.584 3.713 20 0 GHADLP C[NH+](C)C1(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CCCCCC1 ZINC000621985295 864669295 /nfs/dbraw/zinc/66/92/95/864669295.db2.gz CHGMFRYOBNYYQV-FQEVSTJZSA-N 2 2 389.609 3.547 20 0 GHADLP CS(=O)(=O)c1ccc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc2)cc1 ZINC001168363005 864693576 /nfs/dbraw/zinc/69/35/76/864693576.db2.gz PDOQGRAWDNENFD-QHCPKHFHSA-N 2 2 398.572 3.644 20 0 GHADLP COCCOc1cc(C)ccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000167630120 864787871 /nfs/dbraw/zinc/78/78/71/864787871.db2.gz DVPRPXLXOHFCLE-UHFFFAOYSA-N 2 2 382.548 3.817 20 0 GHADLP Fc1ccc(-n2cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cn2)cc1 ZINC000475334061 864824980 /nfs/dbraw/zinc/82/49/80/864824980.db2.gz UTKZIGZDXPUNAQ-OYRHEFFESA-N 2 2 376.479 3.575 20 0 GHADLP Fc1ccc(-n2cc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cn2)cc1 ZINC000475334061 864824996 /nfs/dbraw/zinc/82/49/96/864824996.db2.gz UTKZIGZDXPUNAQ-OYRHEFFESA-N 2 2 376.479 3.575 20 0 GHADLP Fc1ccc(-n2cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cn2)cc1 ZINC000475334061 864825017 /nfs/dbraw/zinc/82/50/17/864825017.db2.gz UTKZIGZDXPUNAQ-OYRHEFFESA-N 2 2 376.479 3.575 20 0 GHADLP Fc1ccc(-n2cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cn2)cc1 ZINC000475334061 864825040 /nfs/dbraw/zinc/82/50/40/864825040.db2.gz UTKZIGZDXPUNAQ-OYRHEFFESA-N 2 2 376.479 3.575 20 0 GHADLP CCOc1c(OC)cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1OC ZINC000608074449 864964825 /nfs/dbraw/zinc/96/48/25/864964825.db2.gz RZNIFBHYHNTTOO-IBGZPJMESA-N 2 2 395.503 3.910 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000667735358 865140130 /nfs/dbraw/zinc/14/01/30/865140130.db2.gz RCQNVDQTOFYWFK-PKOBYXMFSA-N 2 2 392.425 3.520 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000667735358 865140136 /nfs/dbraw/zinc/14/01/36/865140136.db2.gz RCQNVDQTOFYWFK-PKOBYXMFSA-N 2 2 392.425 3.520 20 0 GHADLP CC(=O)c1ccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000171384726 865234329 /nfs/dbraw/zinc/23/43/29/865234329.db2.gz NVYPPPBRTXBUAJ-UHFFFAOYSA-N 2 2 393.531 3.672 20 0 GHADLP CC(=O)c1ccc(NC(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000171384726 865234341 /nfs/dbraw/zinc/23/43/41/865234341.db2.gz NVYPPPBRTXBUAJ-UHFFFAOYSA-N 2 2 393.531 3.672 20 0 GHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000171933737 865417431 /nfs/dbraw/zinc/41/74/31/865417431.db2.gz HNXAMEXYGDVJTE-UHFFFAOYSA-N 2 2 386.805 3.831 20 0 GHADLP Cc1nc2scc(CC(C)C)c2c(NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000301562459 865426308 /nfs/dbraw/zinc/42/63/08/865426308.db2.gz USYNLDJGYMZGPH-UHFFFAOYSA-N 2 2 375.586 3.636 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000172081717 865483230 /nfs/dbraw/zinc/48/32/30/865483230.db2.gz JOMWXDBLBDVXFE-CVDCTZTESA-N 2 2 379.548 3.980 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000172081717 865483234 /nfs/dbraw/zinc/48/32/34/865483234.db2.gz JOMWXDBLBDVXFE-CVDCTZTESA-N 2 2 379.548 3.980 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000301800780 865542519 /nfs/dbraw/zinc/54/25/19/865542519.db2.gz VURIPPPJYRMHST-IIBYNOLFSA-N 2 2 379.504 3.865 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000301800780 865542524 /nfs/dbraw/zinc/54/25/24/865542524.db2.gz VURIPPPJYRMHST-IIBYNOLFSA-N 2 2 379.504 3.865 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000481027947 865704822 /nfs/dbraw/zinc/70/48/22/865704822.db2.gz XGEZQACKAHFDJO-NHYWBVRUSA-N 2 2 384.364 3.832 20 0 GHADLP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)CC2)CC1 ZINC000090775352 881897915 /nfs/dbraw/zinc/89/79/15/881897915.db2.gz AXRSNZZMMYFICJ-QGQLOYOPSA-N 3 2 384.612 3.925 20 0 GHADLP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)CC2)CC1 ZINC000090775352 881897929 /nfs/dbraw/zinc/89/79/29/881897929.db2.gz AXRSNZZMMYFICJ-QGQLOYOPSA-N 3 2 384.612 3.925 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(F)c1 ZINC000481178642 865934482 /nfs/dbraw/zinc/93/44/82/865934482.db2.gz SPIQKXGLQCTTAW-LQWHRVPQSA-N 2 2 383.511 3.961 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(F)c1 ZINC000481178642 865934491 /nfs/dbraw/zinc/93/44/91/865934491.db2.gz SPIQKXGLQCTTAW-LQWHRVPQSA-N 2 2 383.511 3.961 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1cc(F)ccc1F ZINC000481181934 865945253 /nfs/dbraw/zinc/94/52/53/865945253.db2.gz ADFCKYQJEJUHMY-GQIGUUNPSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1cc(F)ccc1F ZINC000481181934 865945263 /nfs/dbraw/zinc/94/52/63/865945263.db2.gz ADFCKYQJEJUHMY-GQIGUUNPSA-N 2 2 387.474 3.792 20 0 GHADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000175008211 865963136 /nfs/dbraw/zinc/96/31/36/865963136.db2.gz QZGCFHOXBLDNAH-HZPDHXFCSA-N 2 2 377.330 3.802 20 0 GHADLP CC(C)N(C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000481189952 865973666 /nfs/dbraw/zinc/97/36/66/865973666.db2.gz KQRPHHKCSHXGRJ-NZQKXSOJSA-N 2 2 379.548 3.928 20 0 GHADLP CC(C)N(C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000481189952 865973679 /nfs/dbraw/zinc/97/36/79/865973679.db2.gz KQRPHHKCSHXGRJ-NZQKXSOJSA-N 2 2 379.548 3.928 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000481201550 865993048 /nfs/dbraw/zinc/99/30/48/865993048.db2.gz RMCXNWOLTWCSSN-HNAYVOBHSA-N 2 2 389.902 3.918 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000481201550 865993061 /nfs/dbraw/zinc/99/30/61/865993061.db2.gz RMCXNWOLTWCSSN-HNAYVOBHSA-N 2 2 389.902 3.918 20 0 GHADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)ccc21 ZINC000456289822 866350028 /nfs/dbraw/zinc/35/00/28/866350028.db2.gz XZEGIVAWGUFHAG-VXKWHMMOSA-N 2 2 395.572 3.964 20 0 GHADLP CN(C(=O)C1CCC(C)(C)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359241 866642251 /nfs/dbraw/zinc/64/22/51/866642251.db2.gz NQFDWDFOVJPGEL-NHCUHLMSSA-N 2 2 377.617 3.998 20 0 GHADLP CN(C(=O)C1CCC(C)(C)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359241 866642256 /nfs/dbraw/zinc/64/22/56/866642256.db2.gz NQFDWDFOVJPGEL-NHCUHLMSSA-N 2 2 377.617 3.998 20 0 GHADLP CN(C(=O)c1cccc(F)c1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359520 866645742 /nfs/dbraw/zinc/64/57/42/866645742.db2.gz KAUAHVAPVFYLDW-OALUTQOASA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1cccc(F)c1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359520 866645746 /nfs/dbraw/zinc/64/57/46/866645746.db2.gz KAUAHVAPVFYLDW-OALUTQOASA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)[C@H]1CCCC(C)(C)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534464902 866832502 /nfs/dbraw/zinc/83/25/02/866832502.db2.gz KTCNDDRXUUQUST-TYPHKJRUSA-N 2 2 377.617 3.998 20 0 GHADLP CN(C(=O)[C@H]1CCCC(C)(C)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534464902 866832518 /nfs/dbraw/zinc/83/25/18/866832518.db2.gz KTCNDDRXUUQUST-TYPHKJRUSA-N 2 2 377.617 3.998 20 0 GHADLP CCN(c1cc[nH+]c(NCc2cn(-c3cc[nH+]cc3)nc2C)n1)C1CCCC1 ZINC000508503377 866934433 /nfs/dbraw/zinc/93/44/33/866934433.db2.gz NVESYFFHNRYFDF-UHFFFAOYSA-N 2 2 377.496 3.747 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2nc3cccc(C)c3[nH]2)CC1 ZINC000153638185 866998450 /nfs/dbraw/zinc/99/84/50/866998450.db2.gz MRASGODIDIZVPM-UHFFFAOYSA-N 2 2 377.536 3.693 20 0 GHADLP Cc1cn2cc(NC(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)ccc2[nH+]1 ZINC000523421590 867291993 /nfs/dbraw/zinc/29/19/93/867291993.db2.gz IKNMPQVNVWRQHR-KRWDZBQOSA-N 2 2 377.492 3.990 20 0 GHADLP C/C(=C/C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000857162906 882069466 /nfs/dbraw/zinc/06/94/66/882069466.db2.gz RVVDZPSDYLSQOL-GHLWEHPRSA-N 2 2 389.609 3.947 20 0 GHADLP C/C(=C/C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000857162906 882069483 /nfs/dbraw/zinc/06/94/83/882069483.db2.gz RVVDZPSDYLSQOL-GHLWEHPRSA-N 2 2 389.609 3.947 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(C[NH+](C)C)cc3C)cn2c1 ZINC000909613208 867529700 /nfs/dbraw/zinc/52/97/00/867529700.db2.gz ALFIGVYVPAQINK-UHFFFAOYSA-N 2 2 382.533 3.885 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000523664459 867739980 /nfs/dbraw/zinc/73/99/80/867739980.db2.gz FCURYHHBNTTZGV-UHFFFAOYSA-N 2 2 387.612 3.791 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000523664459 867739993 /nfs/dbraw/zinc/73/99/93/867739993.db2.gz FCURYHHBNTTZGV-UHFFFAOYSA-N 2 2 387.612 3.791 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(F)cc(F)c1 ZINC000155171480 867784661 /nfs/dbraw/zinc/78/46/61/867784661.db2.gz PPNZFFCMJCKIOY-INIZCTEOSA-N 2 2 376.447 3.527 20 0 GHADLP C[C@@H]1CCC[C@H](CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000535115350 868194325 /nfs/dbraw/zinc/19/43/25/868194325.db2.gz IMEPJUMHIHNNOU-KIZRIRGWSA-N 2 2 392.632 3.791 20 0 GHADLP C[C@@H]1CCC[C@H](CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000535115350 868194333 /nfs/dbraw/zinc/19/43/33/868194333.db2.gz IMEPJUMHIHNNOU-KIZRIRGWSA-N 2 2 392.632 3.791 20 0 GHADLP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000667530923 868250447 /nfs/dbraw/zinc/25/04/47/868250447.db2.gz PPFJZGFPNFREBC-RBUKOAKNSA-N 2 2 389.286 3.664 20 0 GHADLP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000667530923 868250470 /nfs/dbraw/zinc/25/04/70/868250470.db2.gz PPFJZGFPNFREBC-RBUKOAKNSA-N 2 2 389.286 3.664 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245729936 868266609 /nfs/dbraw/zinc/26/66/09/868266609.db2.gz VYLFKLIBGNNNCI-QIIPPGSGSA-N 2 2 390.915 3.764 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245729936 868266624 /nfs/dbraw/zinc/26/66/24/868266624.db2.gz VYLFKLIBGNNNCI-QIIPPGSGSA-N 2 2 390.915 3.764 20 0 GHADLP CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000743723893 868385277 /nfs/dbraw/zinc/38/52/77/868385277.db2.gz QYWWBULRCNBEHL-XMMPIXPASA-N 2 2 393.575 3.720 20 0 GHADLP C[C@H](c1cc(Cl)ccc1Cl)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000157301626 868619245 /nfs/dbraw/zinc/61/92/45/868619245.db2.gz SJLWVVFREJIZBW-OAHLLOKOSA-N 2 2 398.378 3.931 20 0 GHADLP CC(C)[NH+]1CCC([NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000157361373 868635143 /nfs/dbraw/zinc/63/51/43/868635143.db2.gz PNDLVBJNGHFVEW-IBGZPJMESA-N 2 2 397.485 3.831 20 0 GHADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000524455626 869078230 /nfs/dbraw/zinc/07/82/30/869078230.db2.gz IYFVBNUBVDQHJW-IBGZPJMESA-N 2 2 388.581 3.647 20 0 GHADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000524455626 869078243 /nfs/dbraw/zinc/07/82/43/869078243.db2.gz IYFVBNUBVDQHJW-IBGZPJMESA-N 2 2 388.581 3.647 20 0 GHADLP CC(C)O[C@@H](C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000428432678 869461906 /nfs/dbraw/zinc/46/19/06/869461906.db2.gz FAHABRMUGPLQTA-BJKOFHAPSA-N 2 2 382.548 3.722 20 0 GHADLP CC(C)O[C@@H](C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000428432678 869461914 /nfs/dbraw/zinc/46/19/14/869461914.db2.gz FAHABRMUGPLQTA-BJKOFHAPSA-N 2 2 382.548 3.722 20 0 GHADLP CC(C)O[C@@H](C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000428432678 869461923 /nfs/dbraw/zinc/46/19/23/869461923.db2.gz FAHABRMUGPLQTA-BJKOFHAPSA-N 2 2 382.548 3.722 20 0 GHADLP CC(C)O[C@@H](C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000428432678 869461927 /nfs/dbraw/zinc/46/19/27/869461927.db2.gz FAHABRMUGPLQTA-BJKOFHAPSA-N 2 2 382.548 3.722 20 0 GHADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000133645832 882319010 /nfs/dbraw/zinc/31/90/10/882319010.db2.gz IMLQAVDGHNPRKK-SUNKGSAMSA-N 2 2 377.273 3.869 20 0 GHADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000133645832 882319017 /nfs/dbraw/zinc/31/90/17/882319017.db2.gz IMLQAVDGHNPRKK-SUNKGSAMSA-N 2 2 377.273 3.869 20 0 GHADLP C[NH+](C)CCOc1cccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000524964325 869846612 /nfs/dbraw/zinc/84/66/12/869846612.db2.gz BPVSWKOFSHPOLO-LJQANCHMSA-N 2 2 375.900 3.522 20 0 GHADLP COc1cccc([C@H](C)[NH+]2CCN(c3cc(C(C)C)[nH+]c(N(C)C)n3)CC2)c1 ZINC000462818340 870152279 /nfs/dbraw/zinc/15/22/79/870152279.db2.gz PTCZSGFSJZFMFS-KRWDZBQOSA-N 2 2 383.540 3.558 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000248165927 870306398 /nfs/dbraw/zinc/30/63/98/870306398.db2.gz SXNVZRKHSSQLSO-SMIHKQSGSA-N 2 2 391.559 3.503 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000248165927 870306410 /nfs/dbraw/zinc/30/64/10/870306410.db2.gz SXNVZRKHSSQLSO-SMIHKQSGSA-N 2 2 391.559 3.503 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000248165927 870306426 /nfs/dbraw/zinc/30/64/26/870306426.db2.gz SXNVZRKHSSQLSO-SMIHKQSGSA-N 2 2 391.559 3.503 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000248165927 870306442 /nfs/dbraw/zinc/30/64/42/870306442.db2.gz SXNVZRKHSSQLSO-SMIHKQSGSA-N 2 2 391.559 3.503 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000538712027 870385754 /nfs/dbraw/zinc/38/57/54/870385754.db2.gz QBVNXDNQFACNHT-QGZVFWFLSA-N 2 2 375.476 3.894 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000538712027 870385836 /nfs/dbraw/zinc/38/58/36/870385836.db2.gz QBVNXDNQFACNHT-QGZVFWFLSA-N 2 2 375.476 3.894 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000060354891 882434059 /nfs/dbraw/zinc/43/40/59/882434059.db2.gz UFBLWTIFMUVSMQ-LEWJYISDSA-N 2 2 381.520 3.506 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000060354891 882434074 /nfs/dbraw/zinc/43/40/74/882434074.db2.gz UFBLWTIFMUVSMQ-LEWJYISDSA-N 2 2 381.520 3.506 20 0 GHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000766402737 870702863 /nfs/dbraw/zinc/70/28/63/870702863.db2.gz GSUVRYKMKSBLQC-GOSISDBHSA-N 2 2 378.524 3.905 20 0 GHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000766402737 870702872 /nfs/dbraw/zinc/70/28/72/870702872.db2.gz GSUVRYKMKSBLQC-GOSISDBHSA-N 2 2 378.524 3.905 20 0 GHADLP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463053579 870752031 /nfs/dbraw/zinc/75/20/31/870752031.db2.gz AYJCTLBBLHRBKK-SQJMNOBHSA-N 2 2 377.576 3.804 20 0 GHADLP O=C(NC1CC1)c1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000463107434 870896487 /nfs/dbraw/zinc/89/64/87/870896487.db2.gz DIBAFNPPOQJRMZ-UHFFFAOYSA-N 2 2 395.522 3.515 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000429711497 871030895 /nfs/dbraw/zinc/03/08/95/871030895.db2.gz QEAKLMYWJXTINQ-QHCPKHFHSA-N 2 2 393.531 3.987 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004728 871091306 /nfs/dbraw/zinc/09/13/06/871091306.db2.gz ONWCNYYWIOQJBG-PZJWPPBQSA-N 2 2 392.465 3.988 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004728 871091321 /nfs/dbraw/zinc/09/13/21/871091321.db2.gz ONWCNYYWIOQJBG-PZJWPPBQSA-N 2 2 392.465 3.988 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004728 871091340 /nfs/dbraw/zinc/09/13/40/871091340.db2.gz ONWCNYYWIOQJBG-PZJWPPBQSA-N 2 2 392.465 3.988 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004728 871091352 /nfs/dbraw/zinc/09/13/52/871091352.db2.gz ONWCNYYWIOQJBG-PZJWPPBQSA-N 2 2 392.465 3.988 20 0 GHADLP C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C[NH+]1CCCCC1 ZINC000133840960 882486667 /nfs/dbraw/zinc/48/66/67/882486667.db2.gz FUUGHOSYAHSCLI-COPCDDAFSA-N 2 2 395.551 3.533 20 0 GHADLP CCC(CC)[C@@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[NH+](C)C ZINC000525736800 871320504 /nfs/dbraw/zinc/32/05/04/871320504.db2.gz ZPLGUQNHQBMAOM-CRAIPNDOSA-N 2 2 395.617 3.863 20 0 GHADLP CCC(CC)[C@@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[NH+](C)C ZINC000525736800 871320526 /nfs/dbraw/zinc/32/05/26/871320526.db2.gz ZPLGUQNHQBMAOM-CRAIPNDOSA-N 2 2 395.617 3.863 20 0 GHADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000462000274 871421361 /nfs/dbraw/zinc/42/13/61/871421361.db2.gz CPOZLSXSMKNDOD-VXKWHMMOSA-N 2 2 397.567 3.631 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000539201463 871492376 /nfs/dbraw/zinc/49/23/76/871492376.db2.gz BOOHGDCHEDBUFN-RTWAWAEBSA-N 2 2 375.532 3.589 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000539201463 871492383 /nfs/dbraw/zinc/49/23/83/871492383.db2.gz BOOHGDCHEDBUFN-RTWAWAEBSA-N 2 2 375.532 3.589 20 0 GHADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001169432493 871524385 /nfs/dbraw/zinc/52/43/85/871524385.db2.gz LXWSCRBHEOWXAD-MRXNPFEDSA-N 2 2 399.501 3.906 20 0 GHADLP Clc1cc(CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc2c1OCCCO2 ZINC000540548842 871548413 /nfs/dbraw/zinc/54/84/13/871548413.db2.gz IGCHKXGXEQAFIO-SFHVURJKSA-N 2 2 378.944 3.994 20 0 GHADLP Clc1cc(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc2c1OCCCO2 ZINC000540548842 871548424 /nfs/dbraw/zinc/54/84/24/871548424.db2.gz IGCHKXGXEQAFIO-SFHVURJKSA-N 2 2 378.944 3.994 20 0 GHADLP Oc1ccc2c(c1)C1(CC1)C[NH+](CCC[N@H+]1Cc3ccc(O)cc3C3(CC3)C1)C2 ZINC000463426151 871709522 /nfs/dbraw/zinc/70/95/22/871709522.db2.gz XPHMKHNFHZZVDH-UHFFFAOYSA-N 2 2 390.527 3.883 20 0 GHADLP Oc1ccc2c(c1)C1(CC1)C[NH+](CCC[N@@H+]1Cc3ccc(O)cc3C3(CC3)C1)C2 ZINC000463426151 871709529 /nfs/dbraw/zinc/70/95/29/871709529.db2.gz XPHMKHNFHZZVDH-UHFFFAOYSA-N 2 2 390.527 3.883 20 0 GHADLP CCc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000133885170 882543578 /nfs/dbraw/zinc/54/35/78/882543578.db2.gz RHTMJXNZIIYKHS-IGKWTDBASA-N 2 2 380.580 3.747 20 0 GHADLP CCc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000133885170 882543581 /nfs/dbraw/zinc/54/35/81/882543581.db2.gz RHTMJXNZIIYKHS-IGKWTDBASA-N 2 2 380.580 3.747 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463444487 871757953 /nfs/dbraw/zinc/75/79/53/871757953.db2.gz RZLVCEVBQHLLBQ-XMMPIXPASA-N 2 2 375.516 3.998 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463444487 871757959 /nfs/dbraw/zinc/75/79/59/871757959.db2.gz RZLVCEVBQHLLBQ-XMMPIXPASA-N 2 2 375.516 3.998 20 0 GHADLP CC(C)[C@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000447530832 871764066 /nfs/dbraw/zinc/76/40/66/871764066.db2.gz PDDXQNSZFZBTHQ-YADHBBJMSA-N 2 2 392.547 3.595 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000312141523 871825227 /nfs/dbraw/zinc/82/52/27/871825227.db2.gz XBHBMLSZBSNUHA-GBESFXJTSA-N 2 2 376.545 3.821 20 0 GHADLP CC[C@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000460478025 882556091 /nfs/dbraw/zinc/55/60/91/882556091.db2.gz VUMYJFSSKQEDRJ-OAQYLSRUSA-N 2 2 385.596 3.945 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2F)[C@H](C)C1 ZINC000115628925 882557584 /nfs/dbraw/zinc/55/75/84/882557584.db2.gz XZFVQCPJTVURIQ-KDOFPFPSSA-N 2 2 387.337 3.815 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2F)[C@H](C)C1 ZINC000115628925 882557596 /nfs/dbraw/zinc/55/75/96/882557596.db2.gz XZFVQCPJTVURIQ-KDOFPFPSSA-N 2 2 387.337 3.815 20 0 GHADLP CCCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC001194715451 871912404 /nfs/dbraw/zinc/91/24/04/871912404.db2.gz ORGAUQKKAZXJCD-NHCUHLMSSA-N 2 2 386.584 3.801 20 0 GHADLP CCCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC001194715451 871912417 /nfs/dbraw/zinc/91/24/17/871912417.db2.gz ORGAUQKKAZXJCD-NHCUHLMSSA-N 2 2 386.584 3.801 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000429719778 872007447 /nfs/dbraw/zinc/00/74/47/872007447.db2.gz UWVNJZNOWIUAAJ-KRWDZBQOSA-N 2 2 385.483 3.592 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(OCc2cccnc2)c1 ZINC000447732489 872218853 /nfs/dbraw/zinc/21/88/53/872218853.db2.gz PMPJBMBJNSIBJD-UGKGYDQZSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(OCc2cccnc2)c1 ZINC000447732489 872218871 /nfs/dbraw/zinc/21/88/71/872218871.db2.gz PMPJBMBJNSIBJD-UGKGYDQZSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(OCc2cccnc2)c1 ZINC000447732489 872218893 /nfs/dbraw/zinc/21/88/93/872218893.db2.gz PMPJBMBJNSIBJD-UGKGYDQZSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(OCc2cccnc2)c1 ZINC000447732489 872218912 /nfs/dbraw/zinc/21/89/12/872218912.db2.gz PMPJBMBJNSIBJD-UGKGYDQZSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683453 872339333 /nfs/dbraw/zinc/33/93/33/872339333.db2.gz DYSTYLYJPDAUJU-HXUWFJFHSA-N 2 2 395.547 3.977 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683453 872339345 /nfs/dbraw/zinc/33/93/45/872339345.db2.gz DYSTYLYJPDAUJU-HXUWFJFHSA-N 2 2 395.547 3.977 20 0 GHADLP CCC[NH+]1CCC([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000494611132 882610296 /nfs/dbraw/zinc/61/02/96/882610296.db2.gz IAJXHCRLSZYNSY-UHFFFAOYSA-N 2 2 380.458 3.914 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC000527263049 872906900 /nfs/dbraw/zinc/90/69/00/872906900.db2.gz BYLIOZHVRDATLD-PMACEKPBSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000527263049 872906902 /nfs/dbraw/zinc/90/69/02/872906902.db2.gz BYLIOZHVRDATLD-PMACEKPBSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000527263049 872906907 /nfs/dbraw/zinc/90/69/07/872906907.db2.gz BYLIOZHVRDATLD-PMACEKPBSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000527263049 872906912 /nfs/dbraw/zinc/90/69/12/872906912.db2.gz BYLIOZHVRDATLD-PMACEKPBSA-N 2 2 394.563 3.761 20 0 GHADLP C/C(=C/c1c(Cl)cccc1Cl)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000768128172 873101454 /nfs/dbraw/zinc/10/14/54/873101454.db2.gz JJZHXJYBMCQHIH-PFONDFGASA-N 2 2 398.378 3.881 20 0 GHADLP C/C(=C/c1c(Cl)cccc1Cl)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000768128172 873101459 /nfs/dbraw/zinc/10/14/59/873101459.db2.gz JJZHXJYBMCQHIH-PFONDFGASA-N 2 2 398.378 3.881 20 0 GHADLP C/C(=C\c1c(Cl)cccc1Cl)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000768128171 873101677 /nfs/dbraw/zinc/10/16/77/873101677.db2.gz JJZHXJYBMCQHIH-CCEZHUSRSA-N 2 2 398.378 3.881 20 0 GHADLP C/C(=C\c1c(Cl)cccc1Cl)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000768128171 873101688 /nfs/dbraw/zinc/10/16/88/873101688.db2.gz JJZHXJYBMCQHIH-CCEZHUSRSA-N 2 2 398.378 3.881 20 0 GHADLP Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(Cl)c1C ZINC000541216913 873169151 /nfs/dbraw/zinc/16/91/51/873169151.db2.gz ZUBDYQMIWNYOGZ-UHFFFAOYSA-N 2 2 377.960 3.637 20 0 GHADLP CCC(C)(C)C1CCC(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000669896075 873252154 /nfs/dbraw/zinc/25/21/54/873252154.db2.gz QIHYAROGRFDVAW-MHJFOBGBSA-N 2 2 377.617 3.904 20 0 GHADLP CCC(C)(C)C1CCC(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000669896075 873252171 /nfs/dbraw/zinc/25/21/71/873252171.db2.gz QIHYAROGRFDVAW-MHJFOBGBSA-N 2 2 377.617 3.904 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H]4CCCC[C@@]43C)CC2)cc1 ZINC001196667540 873299896 /nfs/dbraw/zinc/29/98/96/873299896.db2.gz UXRGFAVYVWWDIE-UPVQGACJSA-N 2 2 383.580 3.719 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H]4CCCC[C@@]43C)CC2)cc1 ZINC001196667540 873299909 /nfs/dbraw/zinc/29/99/09/873299909.db2.gz UXRGFAVYVWWDIE-UPVQGACJSA-N 2 2 383.580 3.719 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4cc[nH]c4c3)CC2)cc1 ZINC000527715035 873522342 /nfs/dbraw/zinc/52/23/42/873522342.db2.gz DGLCYPBKBIRDJE-UHFFFAOYSA-N 2 2 376.504 3.881 20 0 GHADLP O=C1COc2ccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)cc2N1 ZINC000509071349 873786418 /nfs/dbraw/zinc/78/64/18/873786418.db2.gz PRYQSZHEIHAOMC-IRLDBZIGSA-N 2 2 391.515 3.504 20 0 GHADLP O=C1COc2ccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)cc2N1 ZINC000509071349 873786428 /nfs/dbraw/zinc/78/64/28/873786428.db2.gz PRYQSZHEIHAOMC-IRLDBZIGSA-N 2 2 391.515 3.504 20 0 GHADLP O=C1COc2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2N1 ZINC000509071349 873786436 /nfs/dbraw/zinc/78/64/36/873786436.db2.gz PRYQSZHEIHAOMC-IRLDBZIGSA-N 2 2 391.515 3.504 20 0 GHADLP O=C1COc2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)cc2N1 ZINC000509071349 873786444 /nfs/dbraw/zinc/78/64/44/873786444.db2.gz PRYQSZHEIHAOMC-IRLDBZIGSA-N 2 2 391.515 3.504 20 0 GHADLP COCC[N@H+](CCOc1ccc(F)cc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000541537839 873790765 /nfs/dbraw/zinc/79/07/65/873790765.db2.gz RUNBDVFJQOQEBW-UHFFFAOYSA-N 2 2 375.469 3.600 20 0 GHADLP COCC[N@@H+](CCOc1ccc(F)cc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000541537839 873790776 /nfs/dbraw/zinc/79/07/76/873790776.db2.gz RUNBDVFJQOQEBW-UHFFFAOYSA-N 2 2 375.469 3.600 20 0 GHADLP COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000527964417 873841488 /nfs/dbraw/zinc/84/14/88/873841488.db2.gz CDQVSYMZCDDNFJ-PGRDOPGGSA-N 2 2 376.504 3.806 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000769519975 874126725 /nfs/dbraw/zinc/12/67/25/874126725.db2.gz DLGLUZWAIVSOSA-MSOLQXFVSA-N 2 2 397.604 3.644 20 0 GHADLP CN(C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1)[C@@H](C1CCC1)C(F)(F)F ZINC001198022535 874184037 /nfs/dbraw/zinc/18/40/37/874184037.db2.gz VVMKGOUOPOAWQE-IBGZPJMESA-N 2 2 399.501 3.873 20 0 GHADLP CN(C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1)[C@@H](C1CCC1)C(F)(F)F ZINC001198022535 874184039 /nfs/dbraw/zinc/18/40/39/874184039.db2.gz VVMKGOUOPOAWQE-IBGZPJMESA-N 2 2 399.501 3.873 20 0 GHADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000464788210 874497045 /nfs/dbraw/zinc/49/70/45/874497045.db2.gz HLUSLOJWGAFXPR-UGKGYDQZSA-N 2 2 385.596 3.921 20 0 GHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000464788210 874497051 /nfs/dbraw/zinc/49/70/51/874497051.db2.gz HLUSLOJWGAFXPR-UGKGYDQZSA-N 2 2 385.596 3.921 20 0 GHADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000464788210 874497054 /nfs/dbraw/zinc/49/70/54/874497054.db2.gz HLUSLOJWGAFXPR-UGKGYDQZSA-N 2 2 385.596 3.921 20 0 GHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000464788210 874497060 /nfs/dbraw/zinc/49/70/60/874497060.db2.gz HLUSLOJWGAFXPR-UGKGYDQZSA-N 2 2 385.596 3.921 20 0 GHADLP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000528398041 874515350 /nfs/dbraw/zinc/51/53/50/874515350.db2.gz SFSSPKBULMZMFG-QHAWAJNXSA-N 2 2 380.536 3.664 20 0 GHADLP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000528398041 874515352 /nfs/dbraw/zinc/51/53/52/874515352.db2.gz SFSSPKBULMZMFG-QHAWAJNXSA-N 2 2 380.536 3.664 20 0 GHADLP CC[N@@H+](CC(=O)N[C@H](C)c1cccs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810973 874533411 /nfs/dbraw/zinc/53/34/11/874533411.db2.gz QEWPNSORDKQTNS-QGZVFWFLSA-N 2 2 386.565 3.559 20 0 GHADLP CC[N@H+](CC(=O)N[C@H](C)c1cccs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810973 874533414 /nfs/dbraw/zinc/53/34/14/874533414.db2.gz QEWPNSORDKQTNS-QGZVFWFLSA-N 2 2 386.565 3.559 20 0 GHADLP COc1nccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000449159054 874556427 /nfs/dbraw/zinc/55/64/27/874556427.db2.gz XDPLBPQXQFMJIW-MAUKXSAKSA-N 2 2 394.441 3.677 20 0 GHADLP COc1nccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000449159054 874556433 /nfs/dbraw/zinc/55/64/33/874556433.db2.gz XDPLBPQXQFMJIW-MAUKXSAKSA-N 2 2 394.441 3.677 20 0 GHADLP C[C@@H](C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449205472 874582891 /nfs/dbraw/zinc/58/28/91/874582891.db2.gz LIRBHPJLZYZPES-SFHVURJKSA-N 2 2 388.577 3.694 20 0 GHADLP C[C@@H](C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449205472 874582903 /nfs/dbraw/zinc/58/29/03/874582903.db2.gz LIRBHPJLZYZPES-SFHVURJKSA-N 2 2 388.577 3.694 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC001198790686 874611539 /nfs/dbraw/zinc/61/15/39/874611539.db2.gz LSPAOIYLOUAZKF-HNNXBMFYSA-N 2 2 387.503 3.568 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC001198790686 874611544 /nfs/dbraw/zinc/61/15/44/874611544.db2.gz LSPAOIYLOUAZKF-HNNXBMFYSA-N 2 2 387.503 3.568 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC001198789916 874611664 /nfs/dbraw/zinc/61/16/64/874611664.db2.gz AZPDLZRVUXAGTN-OALUTQOASA-N 2 2 375.557 3.793 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC001198789916 874611667 /nfs/dbraw/zinc/61/16/67/874611667.db2.gz AZPDLZRVUXAGTN-OALUTQOASA-N 2 2 375.557 3.793 20 0 GHADLP C[NH+](C)Cc1nc(CSCCNc2cc[nH+]c(N3CCCCC3)c2)cs1 ZINC001168108031 874643492 /nfs/dbraw/zinc/64/34/92/874643492.db2.gz DHSVQBYDKWCCKU-UHFFFAOYSA-N 2 2 391.610 3.935 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449324860 874709584 /nfs/dbraw/zinc/70/95/84/874709584.db2.gz HXHZTPVTTVIJPZ-UHFFFAOYSA-N 2 2 390.959 3.848 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449324860 874709589 /nfs/dbraw/zinc/70/95/89/874709589.db2.gz HXHZTPVTTVIJPZ-UHFFFAOYSA-N 2 2 390.959 3.848 20 0 GHADLP COc1cccc2c(C[NH2+]C[C@@H]3CCC[N@H+](C)[C@H]3c3ccnn3C)cccc12 ZINC000449316329 874722638 /nfs/dbraw/zinc/72/26/38/874722638.db2.gz MOBGSYDUDLXGTC-FDDCHVKYSA-N 2 2 378.520 3.755 20 0 GHADLP COc1cccc2c(C[NH2+]C[C@@H]3CCC[N@@H+](C)[C@H]3c3ccnn3C)cccc12 ZINC000449316329 874722652 /nfs/dbraw/zinc/72/26/52/874722652.db2.gz MOBGSYDUDLXGTC-FDDCHVKYSA-N 2 2 378.520 3.755 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000449521906 874993450 /nfs/dbraw/zinc/99/34/50/874993450.db2.gz ICKBGDBCOZNXSV-XMMPIXPASA-N 2 2 377.532 3.757 20 0 GHADLP COCc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000449524941 874998793 /nfs/dbraw/zinc/99/87/93/874998793.db2.gz PTCQSMWLIDLFPK-UHFFFAOYSA-N 2 2 381.520 3.546 20 0 GHADLP Cc1cc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc2cccnc12 ZINC001199777016 875181327 /nfs/dbraw/zinc/18/13/27/875181327.db2.gz JICMTFVFRKREOA-UHFFFAOYSA-N 2 2 391.515 3.544 20 0 GHADLP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475733127 882912212 /nfs/dbraw/zinc/91/22/12/882912212.db2.gz RWFYQFPZUJDBLF-UKILVPOCSA-N 2 2 391.559 3.804 20 0 GHADLP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475733127 882912226 /nfs/dbraw/zinc/91/22/26/882912226.db2.gz RWFYQFPZUJDBLF-UKILVPOCSA-N 2 2 391.559 3.804 20 0 GHADLP CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475733127 882912239 /nfs/dbraw/zinc/91/22/39/882912239.db2.gz RWFYQFPZUJDBLF-UKILVPOCSA-N 2 2 391.559 3.804 20 0 GHADLP CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475733127 882912256 /nfs/dbraw/zinc/91/22/56/882912256.db2.gz RWFYQFPZUJDBLF-UKILVPOCSA-N 2 2 391.559 3.804 20 0 GHADLP COc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)c(F)c1 ZINC001201406588 875660832 /nfs/dbraw/zinc/66/08/32/875660832.db2.gz DEQIWBMKCWCOJV-UHFFFAOYSA-N 2 2 382.382 3.507 20 0 GHADLP COC(=O)c1cccc2[nH+]cc(NC3=C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)n21 ZINC001201474113 875728634 /nfs/dbraw/zinc/72/86/34/875728634.db2.gz ATXOKLYNFGAQHX-MOPGFXCFSA-N 2 2 388.471 3.854 20 0 GHADLP COC(=O)c1cccc2[nH+]cc(NC3=C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)n21 ZINC001201474113 875728643 /nfs/dbraw/zinc/72/86/43/875728643.db2.gz ATXOKLYNFGAQHX-MOPGFXCFSA-N 2 2 388.471 3.854 20 0 GHADLP CC[C@H](Sc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172754532 875901668 /nfs/dbraw/zinc/90/16/68/875901668.db2.gz QHVYSPQUVNYKRC-FQEVSTJZSA-N 2 2 389.609 3.624 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+](Cn2c(Cc3cccs3)n[nH]c2=S)CC1 ZINC000151804108 875944658 /nfs/dbraw/zinc/94/46/58/875944658.db2.gz DTVBTLGBTNCZGV-UHFFFAOYSA-N 2 2 393.626 3.994 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+](Cn2c(Cc3cccs3)n[nH]c2=S)CC1 ZINC000151804108 875944665 /nfs/dbraw/zinc/94/46/65/875944665.db2.gz DTVBTLGBTNCZGV-UHFFFAOYSA-N 2 2 393.626 3.994 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000491960842 876053698 /nfs/dbraw/zinc/05/36/98/876053698.db2.gz RKOPTZZTWSSFDN-FQEVSTJZSA-N 2 2 392.507 3.531 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@H](CC(C)(C)C)OC1=O ZINC000785506024 876078273 /nfs/dbraw/zinc/07/82/73/876078273.db2.gz JLEBTRNXEYQWRG-IBGZPJMESA-N 2 2 388.556 3.834 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@H](CC(C)(C)C)OC1=O ZINC000785506024 876078285 /nfs/dbraw/zinc/07/82/85/876078285.db2.gz JLEBTRNXEYQWRG-IBGZPJMESA-N 2 2 388.556 3.834 20 0 GHADLP CN(C(=O)c1ccc2cnccc2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450228466 876092436 /nfs/dbraw/zinc/09/24/36/876092436.db2.gz UNLUPBWRZSHRAC-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccc2cnccc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450228466 876092453 /nfs/dbraw/zinc/09/24/53/876092453.db2.gz UNLUPBWRZSHRAC-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP CSc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000450229734 876125289 /nfs/dbraw/zinc/12/52/89/876125289.db2.gz XSOBENGUKKRDPX-RTWAWAEBSA-N 2 2 389.609 3.818 20 0 GHADLP CSc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000450229734 876125301 /nfs/dbraw/zinc/12/53/01/876125301.db2.gz XSOBENGUKKRDPX-RTWAWAEBSA-N 2 2 389.609 3.818 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@@H+]1C ZINC000529526900 876289486 /nfs/dbraw/zinc/28/94/86/876289486.db2.gz ANUPFQWVTWGPOG-DGCLKSJQSA-N 2 2 383.359 3.815 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@H+]1C ZINC000529526900 876289497 /nfs/dbraw/zinc/28/94/97/876289497.db2.gz ANUPFQWVTWGPOG-DGCLKSJQSA-N 2 2 383.359 3.815 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(Br)s2)CC[NH+]1C ZINC000529526900 876289504 /nfs/dbraw/zinc/28/95/04/876289504.db2.gz ANUPFQWVTWGPOG-DGCLKSJQSA-N 2 2 383.359 3.815 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc(Br)s2)CC[NH+]1C ZINC000529526900 876289515 /nfs/dbraw/zinc/28/95/15/876289515.db2.gz ANUPFQWVTWGPOG-DGCLKSJQSA-N 2 2 383.359 3.815 20 0 GHADLP COC[C@@]1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)COc2ccccc2C1 ZINC000529669200 876492262 /nfs/dbraw/zinc/49/22/62/876492262.db2.gz RCFWVSCROJHOLW-ISKFKSNPSA-N 2 2 392.543 3.794 20 0 GHADLP COC[C@@]1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)COc2ccccc2C1 ZINC000529669200 876492266 /nfs/dbraw/zinc/49/22/66/876492266.db2.gz RCFWVSCROJHOLW-ISKFKSNPSA-N 2 2 392.543 3.794 20 0 GHADLP Cc1ccc2nc(C)c(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)cc2c1 ZINC000460502071 883041911 /nfs/dbraw/zinc/04/19/11/883041911.db2.gz HTDWJNGOMGQSNO-UHFFFAOYSA-N 2 2 394.563 3.532 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cc2ccc(S(=O)(=O)CC)cc2)CC1)CC1CC1 ZINC000450648879 876728345 /nfs/dbraw/zinc/72/83/45/876728345.db2.gz IOIICJQBGDBXAW-UHFFFAOYSA-N 2 2 392.609 3.814 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cc2ccc(S(=O)(=O)CC)cc2)CC1)CC1CC1 ZINC000450648879 876728352 /nfs/dbraw/zinc/72/83/52/876728352.db2.gz IOIICJQBGDBXAW-UHFFFAOYSA-N 2 2 392.609 3.814 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)C1 ZINC000180139368 883062478 /nfs/dbraw/zinc/06/24/78/883062478.db2.gz DWKOSKTWIAFNMT-DCROOPGVSA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)C1 ZINC000180139368 883062495 /nfs/dbraw/zinc/06/24/95/883062495.db2.gz DWKOSKTWIAFNMT-DCROOPGVSA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[NH+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000180139368 883062513 /nfs/dbraw/zinc/06/25/13/883062513.db2.gz DWKOSKTWIAFNMT-DCROOPGVSA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[NH+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000180139368 883062529 /nfs/dbraw/zinc/06/25/29/883062529.db2.gz DWKOSKTWIAFNMT-DCROOPGVSA-N 3 2 399.623 3.909 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000786837883 876957125 /nfs/dbraw/zinc/95/71/25/876957125.db2.gz MDHXFAXWBXNMCF-PGRDOPGGSA-N 2 2 378.520 3.531 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000786837883 876957135 /nfs/dbraw/zinc/95/71/35/876957135.db2.gz MDHXFAXWBXNMCF-PGRDOPGGSA-N 2 2 378.520 3.531 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000669955535 877111365 /nfs/dbraw/zinc/11/13/65/877111365.db2.gz RHSTYVQRYGSFBJ-IBGZPJMESA-N 2 2 377.492 3.757 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000669955535 877111372 /nfs/dbraw/zinc/11/13/72/877111372.db2.gz RHSTYVQRYGSFBJ-IBGZPJMESA-N 2 2 377.492 3.757 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000174677174 877164413 /nfs/dbraw/zinc/16/44/13/877164413.db2.gz YMVZUGGMJBUOHJ-ROUUACIJSA-N 2 2 381.520 3.610 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000174779699 877241926 /nfs/dbraw/zinc/24/19/26/877241926.db2.gz NPBOOFFSLJORQB-NFBKMPQASA-N 2 2 393.575 3.897 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000174779699 877241937 /nfs/dbraw/zinc/24/19/37/877241937.db2.gz NPBOOFFSLJORQB-NFBKMPQASA-N 2 2 393.575 3.897 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)C(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000174779699 877241945 /nfs/dbraw/zinc/24/19/45/877241945.db2.gz NPBOOFFSLJORQB-NFBKMPQASA-N 2 2 393.575 3.897 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)C(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000174779699 877241958 /nfs/dbraw/zinc/24/19/58/877241958.db2.gz NPBOOFFSLJORQB-NFBKMPQASA-N 2 2 393.575 3.897 20 0 GHADLP OC1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCC(c2ccccc2)CC1 ZINC000530232019 877333800 /nfs/dbraw/zinc/33/38/00/877333800.db2.gz UZMKLIPAJQFOMB-UHFFFAOYSA-N 2 2 379.548 3.725 20 0 GHADLP COc1cccc(C[C@H]2CCC[N@@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000551694889 877658682 /nfs/dbraw/zinc/65/86/82/877658682.db2.gz FNZVJQSAPGKKPI-ILBGXUMGSA-N 2 2 394.559 3.993 20 0 GHADLP COc1cccc(C[C@H]2CCC[N@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000551694889 877658687 /nfs/dbraw/zinc/65/86/87/877658687.db2.gz FNZVJQSAPGKKPI-ILBGXUMGSA-N 2 2 394.559 3.993 20 0 GHADLP COc1cccc(C[C@H]2CCC[NH+]2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000551694889 877658692 /nfs/dbraw/zinc/65/86/92/877658692.db2.gz FNZVJQSAPGKKPI-ILBGXUMGSA-N 2 2 394.559 3.993 20 0 GHADLP COc1cccc(C[C@H]2CCC[NH+]2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000551694889 877658697 /nfs/dbraw/zinc/65/86/97/877658697.db2.gz FNZVJQSAPGKKPI-ILBGXUMGSA-N 2 2 394.559 3.993 20 0 GHADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3cc[nH+]c(N4CCCCC4)c3)ccc21 ZINC000455900404 877834005 /nfs/dbraw/zinc/83/40/05/877834005.db2.gz FSTFQCKEALQDSK-OAQYLSRUSA-N 2 2 393.535 3.943 20 0 GHADLP CC[N@H+](Cc1ccc(CO)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000492947286 877862501 /nfs/dbraw/zinc/86/25/01/877862501.db2.gz APGFNVHDOZRNKB-UHFFFAOYSA-N 2 2 382.552 3.892 20 0 GHADLP CC[N@@H+](Cc1ccc(CO)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000492947286 877862508 /nfs/dbraw/zinc/86/25/08/877862508.db2.gz APGFNVHDOZRNKB-UHFFFAOYSA-N 2 2 382.552 3.892 20 0 GHADLP C[C@@]1(c2ccccc2)CC(=O)N(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000788382622 878047052 /nfs/dbraw/zinc/04/70/52/878047052.db2.gz PBWXOTUQXLCNSK-XMMPIXPASA-N 2 2 392.547 3.547 20 0 GHADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000163449557 878049091 /nfs/dbraw/zinc/04/90/91/878049091.db2.gz RXZAIEPAANZZCW-AYHJJNSGSA-N 2 2 396.560 3.561 20 0 GHADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000163449557 878049105 /nfs/dbraw/zinc/04/91/05/878049105.db2.gz RXZAIEPAANZZCW-AYHJJNSGSA-N 2 2 396.560 3.561 20 0 GHADLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnccc2NC(=O)OC(C)(C)C)CC1 ZINC000788432683 878055770 /nfs/dbraw/zinc/05/57/70/878055770.db2.gz ZYOAZMMRBNIMPB-INIZCTEOSA-N 2 2 376.545 3.622 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527526 878093359 /nfs/dbraw/zinc/09/33/59/878093359.db2.gz JQCGPZCYCJWGLK-PGRDOPGGSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527526 878093377 /nfs/dbraw/zinc/09/33/77/878093377.db2.gz JQCGPZCYCJWGLK-PGRDOPGGSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527526 878093395 /nfs/dbraw/zinc/09/33/95/878093395.db2.gz JQCGPZCYCJWGLK-PGRDOPGGSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527526 878093415 /nfs/dbraw/zinc/09/34/15/878093415.db2.gz JQCGPZCYCJWGLK-PGRDOPGGSA-N 2 2 389.971 3.594 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245698399 878418725 /nfs/dbraw/zinc/41/87/25/878418725.db2.gz RFCKRIAGLWQICB-ZHALLVOQSA-N 2 2 380.492 3.732 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245698399 878418729 /nfs/dbraw/zinc/41/87/29/878418729.db2.gz RFCKRIAGLWQICB-ZHALLVOQSA-N 2 2 380.492 3.732 20 0 GHADLP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000245739223 878513687 /nfs/dbraw/zinc/51/36/87/878513687.db2.gz UQIVMTVWCPAZFB-VQTJNVASSA-N 2 2 389.902 3.716 20 0 GHADLP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000245739223 878513700 /nfs/dbraw/zinc/51/37/00/878513700.db2.gz UQIVMTVWCPAZFB-VQTJNVASSA-N 2 2 389.902 3.716 20 0 GHADLP Cc1oc(C)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000670813388 878741320 /nfs/dbraw/zinc/74/13/20/878741320.db2.gz BLUTVZHIFVLIJW-WOJBJXKFSA-N 2 2 375.557 3.614 20 0 GHADLP Cc1oc(C)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000670813388 878741332 /nfs/dbraw/zinc/74/13/32/878741332.db2.gz BLUTVZHIFVLIJW-WOJBJXKFSA-N 2 2 375.557 3.614 20 0 GHADLP CC[NH+](CC)Cc1c(Br)cccc1NCC1([NH+]2CCCC2)COC1 ZINC001168448663 878943167 /nfs/dbraw/zinc/94/31/67/878943167.db2.gz ZVTAMGWAHLLZNN-UHFFFAOYSA-N 2 2 396.373 3.568 20 0 GHADLP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000493504596 879476515 /nfs/dbraw/zinc/47/65/15/879476515.db2.gz SGCDXTWZVADQRP-IRLDBZIGSA-N 2 2 387.568 3.652 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000854222580 879640736 /nfs/dbraw/zinc/64/07/36/879640736.db2.gz JDKHFYPCVZIRAW-IWMITWMQSA-N 2 2 383.467 3.579 20 0 GHADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000246566525 879690376 /nfs/dbraw/zinc/69/03/76/879690376.db2.gz LURREUODQYAUBY-WMQCIHAUSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000246566525 879690383 /nfs/dbraw/zinc/69/03/83/879690383.db2.gz LURREUODQYAUBY-WMQCIHAUSA-N 2 2 378.605 3.544 20 0 GHADLP CC[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc2c(c1)OCCO2 ZINC000538556887 879711699 /nfs/dbraw/zinc/71/16/99/879711699.db2.gz GYGKBGDPDSYXMN-RTBURBONSA-N 2 2 382.508 3.556 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001183379418 912494733 /nfs/dbraw/zinc/49/47/33/912494733.db2.gz MVYFIGOJLUBDKU-KPLVRAHFSA-N 2 2 377.573 3.630 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001183379418 912494736 /nfs/dbraw/zinc/49/47/36/912494736.db2.gz MVYFIGOJLUBDKU-KPLVRAHFSA-N 2 2 377.573 3.630 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247160476 879933442 /nfs/dbraw/zinc/93/34/42/879933442.db2.gz SRPLZPOTDYZJAF-YLJYHZDGSA-N 2 2 377.960 3.810 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247160476 879933444 /nfs/dbraw/zinc/93/34/44/879933444.db2.gz SRPLZPOTDYZJAF-YLJYHZDGSA-N 2 2 377.960 3.810 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000531685169 880316849 /nfs/dbraw/zinc/31/68/49/880316849.db2.gz MERDWKODIQJGAV-VXGBXAGGSA-N 2 2 388.821 3.951 20 0 GHADLP CCn1ccnc1[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000453125280 880503004 /nfs/dbraw/zinc/50/30/04/880503004.db2.gz OIAWYPKKQNABHX-OAHLLOKOSA-N 2 2 395.473 3.524 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ncc(-c2ccccc2)n1C ZINC000453193143 880599195 /nfs/dbraw/zinc/59/91/95/880599195.db2.gz DXLKWUZALFEQGQ-GCJKJVERSA-N 2 2 390.531 3.505 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ncc(-c2ccccc2)n1C ZINC000453193143 880599202 /nfs/dbraw/zinc/59/92/02/880599202.db2.gz DXLKWUZALFEQGQ-GCJKJVERSA-N 2 2 390.531 3.505 20 0 GHADLP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ncc(-c2ccccc2)n1C ZINC000453214009 880628202 /nfs/dbraw/zinc/62/82/02/880628202.db2.gz DJNWQPSTVBWPMJ-GOSISDBHSA-N 2 2 393.535 3.663 20 0 GHADLP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)cc1Cl ZINC001275201723 912602494 /nfs/dbraw/zinc/60/24/94/912602494.db2.gz IBLXYXCFIRFBCA-IBGZPJMESA-N 2 2 384.351 3.512 20 0 GHADLP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)cc1Cl ZINC001275201723 912602505 /nfs/dbraw/zinc/60/25/05/912602505.db2.gz IBLXYXCFIRFBCA-IBGZPJMESA-N 2 2 384.351 3.512 20 0 GHADLP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453324387 880795685 /nfs/dbraw/zinc/79/56/85/880795685.db2.gz LBEMEMHHMFRAQR-KRWDZBQOSA-N 2 2 381.520 3.969 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](c3cncc(F)c3)C3CC3)CC2)cc1 ZINC000453326592 880798025 /nfs/dbraw/zinc/79/80/25/880798025.db2.gz NMTNKGAZOKJSNC-QHCPKHFHSA-N 2 2 396.510 3.884 20 0 GHADLP C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000543707614 881026023 /nfs/dbraw/zinc/02/60/23/881026023.db2.gz KGCFCERHLYETSE-DENIHFKCSA-N 2 2 398.595 3.560 20 0 GHADLP COc1c(Br)cccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000187367813 881167768 /nfs/dbraw/zinc/16/77/68/881167768.db2.gz MGZHIBWNTGYOPO-CQSZACIVSA-N 2 2 378.314 3.646 20 0 GHADLP COc1c(Br)cccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000187367813 881167777 /nfs/dbraw/zinc/16/77/77/881167777.db2.gz MGZHIBWNTGYOPO-CQSZACIVSA-N 2 2 378.314 3.646 20 0 GHADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCO1 ZINC001170177073 881185458 /nfs/dbraw/zinc/18/54/58/881185458.db2.gz DOYGANOLUGESLG-KMDXXIMOSA-N 2 2 382.548 3.597 20 0 GHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000187477005 881208266 /nfs/dbraw/zinc/20/82/66/881208266.db2.gz PEWXMXRCSIUDHL-BAGYTPMASA-N 2 2 397.567 3.632 20 0 GHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000187477005 881208280 /nfs/dbraw/zinc/20/82/80/881208280.db2.gz PEWXMXRCSIUDHL-BAGYTPMASA-N 2 2 397.567 3.632 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000494241796 881277294 /nfs/dbraw/zinc/27/72/94/881277294.db2.gz OHFILHBHCAYTPI-IRLDBZIGSA-N 2 2 396.441 3.521 20 0 GHADLP COc1ccc([C@H](C)[NH2+]Cc2nnc3n2CCCCC3)cc1C[NH+]1CCCCC1 ZINC000182224456 883212956 /nfs/dbraw/zinc/21/29/56/883212956.db2.gz FTZLHDONXBBSFD-SFHVURJKSA-N 2 2 397.567 3.850 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccnc3C(F)(F)F)C2)ccn1 ZINC000859363525 883775613 /nfs/dbraw/zinc/77/56/13/883775613.db2.gz NVBGAWLEBSZNHO-SFHVURJKSA-N 2 2 394.441 3.600 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccnc3C(F)(F)F)C2)ccn1 ZINC000859363525 883775630 /nfs/dbraw/zinc/77/56/30/883775630.db2.gz NVBGAWLEBSZNHO-SFHVURJKSA-N 2 2 394.441 3.600 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccnc3C(F)(F)F)C2)ccn1 ZINC000859363525 883775645 /nfs/dbraw/zinc/77/56/45/883775645.db2.gz NVBGAWLEBSZNHO-SFHVURJKSA-N 2 2 394.441 3.600 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccnc3C(F)(F)F)C2)ccn1 ZINC000859363525 883775650 /nfs/dbraw/zinc/77/56/50/883775650.db2.gz NVBGAWLEBSZNHO-SFHVURJKSA-N 2 2 394.441 3.600 20 0 GHADLP COc1ccc2c(c1)C[C@@H]([NH+]1CC(c3[nH+]cn4cc(Br)ccc34)C1)C2 ZINC001168282279 884151724 /nfs/dbraw/zinc/15/17/24/884151724.db2.gz JPWHENNEMCIVHJ-KRWDZBQOSA-N 2 2 398.304 3.672 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C2CC2)cc1 ZINC000495002631 884340597 /nfs/dbraw/zinc/34/05/97/884340597.db2.gz CJSAGVHYRSHYHY-HXUWFJFHSA-N 2 2 380.536 3.904 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C2CC2)cc1 ZINC000495002631 884340613 /nfs/dbraw/zinc/34/06/13/884340613.db2.gz CJSAGVHYRSHYHY-HXUWFJFHSA-N 2 2 380.536 3.904 20 0 GHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(F)cc1N(C)C ZINC000537485370 884560494 /nfs/dbraw/zinc/56/04/94/884560494.db2.gz AOPGQFMSTBMCCF-MRXNPFEDSA-N 2 2 385.531 3.990 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(Cl)c1Cl ZINC000130455181 884665914 /nfs/dbraw/zinc/66/59/14/884665914.db2.gz SOBAOARFAKUVCN-AWEZNQCLSA-N 2 2 379.335 3.991 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000130479981 884679625 /nfs/dbraw/zinc/67/96/25/884679625.db2.gz WXSLGKROPNGHOR-KGLIPLIRSA-N 2 2 399.564 3.697 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000130479981 884679634 /nfs/dbraw/zinc/67/96/34/884679634.db2.gz WXSLGKROPNGHOR-KGLIPLIRSA-N 2 2 399.564 3.697 20 0 GHADLP Cc1ccc2cc(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)ccc2n1 ZINC000428550392 884717877 /nfs/dbraw/zinc/71/78/77/884717877.db2.gz QYOVNOHPONVVEG-QHCPKHFHSA-N 2 2 375.516 3.924 20 0 GHADLP Cc1ccc2cc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)ccc2n1 ZINC000428550392 884717894 /nfs/dbraw/zinc/71/78/94/884717894.db2.gz QYOVNOHPONVVEG-QHCPKHFHSA-N 2 2 375.516 3.924 20 0 GHADLP C[C@H]1[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCN1Cc1ccccc1 ZINC000806662626 884919901 /nfs/dbraw/zinc/91/99/01/884919901.db2.gz FUILLMPMRHNEMY-CPJSRVTESA-N 2 2 392.591 3.974 20 0 GHADLP CN(C(=O)N[C@@H]1CCc2ccccc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000666414377 884997362 /nfs/dbraw/zinc/99/73/62/884997362.db2.gz WVVUDTVGFLDGCG-XPWALMASSA-N 2 2 398.595 3.653 20 0 GHADLP CN(C(=O)N[C@@H]1CCc2ccccc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000666414377 884997384 /nfs/dbraw/zinc/99/73/84/884997384.db2.gz WVVUDTVGFLDGCG-XPWALMASSA-N 2 2 398.595 3.653 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000550586968 885061383 /nfs/dbraw/zinc/06/13/83/885061383.db2.gz FMMMPGJQYKDNPO-RTBURBONSA-N 2 2 377.532 3.607 20 0 GHADLP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000861346919 885419874 /nfs/dbraw/zinc/41/98/74/885419874.db2.gz DBVUXEMIFXJWQS-BHIFYINESA-N 2 2 394.563 3.674 20 0 GHADLP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000861346919 885419882 /nfs/dbraw/zinc/41/98/82/885419882.db2.gz DBVUXEMIFXJWQS-BHIFYINESA-N 2 2 394.563 3.674 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000108196146 885639332 /nfs/dbraw/zinc/63/93/32/885639332.db2.gz XOMABSNRMDMPOS-UHFFFAOYSA-N 2 2 376.504 3.703 20 0 GHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000532479804 885791321 /nfs/dbraw/zinc/79/13/21/885791321.db2.gz QGPUPIRFGIGKGQ-DYVFJYSZSA-N 2 2 379.957 3.879 20 0 GHADLP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccc(F)cc1 ZINC000498837740 885898117 /nfs/dbraw/zinc/89/81/17/885898117.db2.gz MROFWONGAYHNSN-AQNXPRMDSA-N 2 2 389.559 3.835 20 0 GHADLP C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccc(F)cc1 ZINC000498837740 885898124 /nfs/dbraw/zinc/89/81/24/885898124.db2.gz MROFWONGAYHNSN-AQNXPRMDSA-N 2 2 389.559 3.835 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000532514327 885906455 /nfs/dbraw/zinc/90/64/55/885906455.db2.gz NIZFXMKRSOGBBX-WMLDXEAASA-N 2 2 394.357 3.773 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000532514327 885906484 /nfs/dbraw/zinc/90/64/84/885906484.db2.gz NIZFXMKRSOGBBX-WMLDXEAASA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173451579 886280055 /nfs/dbraw/zinc/28/00/55/886280055.db2.gz ZGJZXXCRANUNKC-AZUAARDMSA-N 2 2 381.524 3.593 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000119129647 886481158 /nfs/dbraw/zinc/48/11/58/886481158.db2.gz OOISHPFVKGZSMT-QDSKXPNFSA-N 2 2 378.564 3.546 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000119129647 886481171 /nfs/dbraw/zinc/48/11/71/886481171.db2.gz OOISHPFVKGZSMT-QDSKXPNFSA-N 2 2 378.564 3.546 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000119129647 886481181 /nfs/dbraw/zinc/48/11/81/886481181.db2.gz OOISHPFVKGZSMT-QDSKXPNFSA-N 2 2 378.564 3.546 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000119129647 886481184 /nfs/dbraw/zinc/48/11/84/886481184.db2.gz OOISHPFVKGZSMT-QDSKXPNFSA-N 2 2 378.564 3.546 20 0 GHADLP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000119096416 886634654 /nfs/dbraw/zinc/63/46/54/886634654.db2.gz UETJZNQGDMLSQP-WMZOPIPTSA-N 2 2 386.927 3.706 20 0 GHADLP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000119096416 886634662 /nfs/dbraw/zinc/63/46/62/886634662.db2.gz UETJZNQGDMLSQP-WMZOPIPTSA-N 2 2 386.927 3.706 20 0 GHADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CCSC1 ZINC000762751922 886795329 /nfs/dbraw/zinc/79/53/29/886795329.db2.gz BQZZARZNWCIXNB-NYUBLWNDSA-N 2 2 397.629 3.582 20 0 GHADLP Cc1ncccc1C[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000237595000 886967163 /nfs/dbraw/zinc/96/71/63/886967163.db2.gz FHDJJVGIWOYLAB-UHFFFAOYSA-N 2 2 392.469 3.711 20 0 GHADLP COc1cccc(-c2nn(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c(=S)o2)c1 ZINC000863263735 886977638 /nfs/dbraw/zinc/97/76/38/886977638.db2.gz VLRCSAUQMRFRKH-KRWDZBQOSA-N 2 2 388.537 3.502 20 0 GHADLP COc1cccc(-c2nn(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c(=S)o2)c1 ZINC000863263735 886977645 /nfs/dbraw/zinc/97/76/45/886977645.db2.gz VLRCSAUQMRFRKH-KRWDZBQOSA-N 2 2 388.537 3.502 20 0 GHADLP [NH3+][C@H](CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000237856742 886999459 /nfs/dbraw/zinc/99/94/59/886999459.db2.gz CTSMDVGFJWVVHP-RTBURBONSA-N 2 2 389.902 3.822 20 0 GHADLP [NH3+][C@@H](CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000237888157 887002209 /nfs/dbraw/zinc/00/22/09/887002209.db2.gz CTSMDVGFJWVVHP-RBUKOAKNSA-N 2 2 389.902 3.822 20 0 GHADLP CC(C)CCN(CCC(C)C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000127472293 887063953 /nfs/dbraw/zinc/06/39/53/887063953.db2.gz DATYWNGCACGAEZ-UHFFFAOYSA-N 2 2 380.621 3.649 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccco2)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000809762893 887805157 /nfs/dbraw/zinc/80/51/57/887805157.db2.gz DAYWWLRUFIBTOV-JOCHJYFZSA-N 2 2 391.556 3.823 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccco2)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000809762893 887805166 /nfs/dbraw/zinc/80/51/66/887805166.db2.gz DAYWWLRUFIBTOV-JOCHJYFZSA-N 2 2 391.556 3.823 20 0 GHADLP COc1cc[nH+]cc1NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001170594079 888055596 /nfs/dbraw/zinc/05/55/96/888055596.db2.gz AQIHUYYBJVTPLT-OAQYLSRUSA-N 2 2 377.488 3.565 20 0 GHADLP O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)C1CC[NH+](C2CC2)CC1 ZINC000195263422 888674523 /nfs/dbraw/zinc/67/45/23/888674523.db2.gz VBGIIJXBLLZQDM-UHFFFAOYSA-N 2 2 396.560 3.514 20 0 GHADLP O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)C1CC[NH+](C2CC2)CC1 ZINC000195263422 888674531 /nfs/dbraw/zinc/67/45/31/888674531.db2.gz VBGIIJXBLLZQDM-UHFFFAOYSA-N 2 2 396.560 3.514 20 0 GHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000810666414 888754394 /nfs/dbraw/zinc/75/43/94/888754394.db2.gz MUULBNBXQHQMCI-QHCPKHFHSA-N 2 2 389.499 3.682 20 0 GHADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168509008 888836937 /nfs/dbraw/zinc/83/69/37/888836937.db2.gz KJZRKRTYEPGTCT-CABCVRRESA-N 2 2 381.483 3.638 20 0 GHADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168509008 888836947 /nfs/dbraw/zinc/83/69/47/888836947.db2.gz KJZRKRTYEPGTCT-CABCVRRESA-N 2 2 381.483 3.638 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](c3ccccn3)C(C)C)CC2)cc1 ZINC000866367906 888848762 /nfs/dbraw/zinc/84/87/62/888848762.db2.gz RBOHKZFDWLXONQ-QHCPKHFHSA-N 2 2 380.536 3.991 20 0 GHADLP Clc1cncc(Cl)c1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000866668264 888998729 /nfs/dbraw/zinc/99/87/29/888998729.db2.gz AJIBFMSBUJFOFA-UHFFFAOYSA-N 2 2 394.350 3.958 20 0 GHADLP Clc1cncc(Cl)c1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000866668264 888998738 /nfs/dbraw/zinc/99/87/38/888998738.db2.gz AJIBFMSBUJFOFA-UHFFFAOYSA-N 2 2 394.350 3.958 20 0 GHADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@H+](Cc3sccc3Cl)CC2)C1=O ZINC001275317684 913310684 /nfs/dbraw/zinc/31/06/84/913310684.db2.gz SULUYMJDHTWDNR-IBGZPJMESA-N 2 2 392.956 3.540 20 0 GHADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@@H+](Cc3sccc3Cl)CC2)C1=O ZINC001275317684 913310712 /nfs/dbraw/zinc/31/07/12/913310712.db2.gz SULUYMJDHTWDNR-IBGZPJMESA-N 2 2 392.956 3.540 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123542244 889324610 /nfs/dbraw/zinc/32/46/10/889324610.db2.gz QWJXHJZJJQLRAH-HNNXBMFYSA-N 2 2 396.373 3.830 20 0 GHADLP CCc1cc(C)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000124531595 889663082 /nfs/dbraw/zinc/66/30/82/889663082.db2.gz SDZKMGMSZASRCF-VQTJNVASSA-N 2 2 375.557 3.560 20 0 GHADLP CCc1cc(C)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000124531595 889663090 /nfs/dbraw/zinc/66/30/90/889663090.db2.gz SDZKMGMSZASRCF-VQTJNVASSA-N 2 2 375.557 3.560 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000124652777 889710913 /nfs/dbraw/zinc/71/09/13/889710913.db2.gz UWYVHQSFGLPGCW-RTWAWAEBSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000124652777 889710918 /nfs/dbraw/zinc/71/09/18/889710918.db2.gz UWYVHQSFGLPGCW-RTWAWAEBSA-N 2 2 375.532 3.543 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000125197585 889906282 /nfs/dbraw/zinc/90/62/82/889906282.db2.gz SMGCTWLMCNIOQY-UHFFFAOYSA-N 2 2 383.330 3.527 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000125197585 889906289 /nfs/dbraw/zinc/90/62/89/889906289.db2.gz SMGCTWLMCNIOQY-UHFFFAOYSA-N 2 2 383.330 3.527 20 0 GHADLP CCOc1cc(C[N@H+](C)C2CC[NH+](CC)CC2)cc(Br)c1OC ZINC000125247481 889922685 /nfs/dbraw/zinc/92/26/85/889922685.db2.gz XCRHISQXAZUDMQ-UHFFFAOYSA-N 2 2 385.346 3.773 20 0 GHADLP CCOc1cc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc(Br)c1OC ZINC000125247481 889922692 /nfs/dbraw/zinc/92/26/92/889922692.db2.gz XCRHISQXAZUDMQ-UHFFFAOYSA-N 2 2 385.346 3.773 20 0 GHADLP COc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c2ccccc12 ZINC000533187490 889977225 /nfs/dbraw/zinc/97/72/25/889977225.db2.gz FFBSZPVNTMWVMI-UHFFFAOYSA-N 2 2 390.531 3.808 20 0 GHADLP FC(F)Oc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126661199 890638033 /nfs/dbraw/zinc/63/80/33/890638033.db2.gz XDQASHKUVJIAMW-UONOGXRCSA-N 2 2 375.257 3.767 20 0 GHADLP FC(F)Oc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126661199 890638041 /nfs/dbraw/zinc/63/80/41/890638041.db2.gz XDQASHKUVJIAMW-UONOGXRCSA-N 2 2 375.257 3.767 20 0 GHADLP CC[NH+](CC)Cc1ccccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001211994392 890828320 /nfs/dbraw/zinc/82/83/20/890828320.db2.gz XCAMDLGZNOJCML-UHFFFAOYSA-N 2 2 383.536 3.983 20 0 GHADLP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000127102953 890894760 /nfs/dbraw/zinc/89/47/60/890894760.db2.gz RCSJYNBFSGBYIY-PMACEKPBSA-N 2 2 388.462 3.593 20 0 GHADLP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000127102953 890894775 /nfs/dbraw/zinc/89/47/75/890894775.db2.gz RCSJYNBFSGBYIY-PMACEKPBSA-N 2 2 388.462 3.593 20 0 GHADLP COc1ccc([C@@H](O)C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000812774517 890950178 /nfs/dbraw/zinc/95/01/78/890950178.db2.gz QCUXWAFUJOFEEC-HSZRJFAPSA-N 2 2 377.488 3.827 20 0 GHADLP O[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1C(F)(F)F ZINC000812827004 890986324 /nfs/dbraw/zinc/98/63/24/890986324.db2.gz ZGCIVNLDABVFBQ-OAHLLOKOSA-N 2 2 384.364 3.745 20 0 GHADLP COCC[N@H+](C)CCCC1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000455500657 891058001 /nfs/dbraw/zinc/05/80/01/891058001.db2.gz UAZDSLBGHGFBEM-UHFFFAOYSA-N 2 2 376.545 3.609 20 0 GHADLP COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000455500657 891058009 /nfs/dbraw/zinc/05/80/09/891058009.db2.gz UAZDSLBGHGFBEM-UHFFFAOYSA-N 2 2 376.545 3.609 20 0 GHADLP Brc1cccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)[C@H]2CCOC2)c1 ZINC000872022963 891120832 /nfs/dbraw/zinc/12/08/32/891120832.db2.gz AJXFWWNLZNJZDS-FUHWJXTLSA-N 2 2 378.314 3.793 20 0 GHADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)C[C@H](C)O1 ZINC000067379464 891284662 /nfs/dbraw/zinc/28/46/62/891284662.db2.gz UCDXDWXUZLPTJY-IYBDPMFKSA-N 2 2 375.538 3.724 20 0 GHADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)C[C@H](C)O1 ZINC000067379464 891284678 /nfs/dbraw/zinc/28/46/78/891284678.db2.gz UCDXDWXUZLPTJY-IYBDPMFKSA-N 2 2 375.538 3.724 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000246588775 891290223 /nfs/dbraw/zinc/29/02/23/891290223.db2.gz ZEFCGUCAHJCYED-PTUXOGIPSA-N 2 2 381.564 3.684 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000246588775 891290237 /nfs/dbraw/zinc/29/02/37/891290237.db2.gz ZEFCGUCAHJCYED-PTUXOGIPSA-N 2 2 381.564 3.684 20 0 GHADLP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247003146 891330495 /nfs/dbraw/zinc/33/04/95/891330495.db2.gz KTBHLUIEDNFSSQ-SELNLUPBSA-N 2 2 394.563 3.610 20 0 GHADLP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247003146 891330502 /nfs/dbraw/zinc/33/05/02/891330502.db2.gz KTBHLUIEDNFSSQ-SELNLUPBSA-N 2 2 394.563 3.610 20 0 GHADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C[C@@H]1C(F)(F)F ZINC000873228152 891534074 /nfs/dbraw/zinc/53/40/74/891534074.db2.gz QACLJQRSIVQPSV-MSOLQXFVSA-N 2 2 392.469 3.794 20 0 GHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C[C@@H]1C(F)(F)F ZINC000873228152 891534086 /nfs/dbraw/zinc/53/40/86/891534086.db2.gz QACLJQRSIVQPSV-MSOLQXFVSA-N 2 2 392.469 3.794 20 0 GHADLP O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000649044073 891701716 /nfs/dbraw/zinc/70/17/16/891701716.db2.gz GICCMKPCFYFQIV-KRWDZBQOSA-N 2 2 384.549 3.662 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000917397924 891895234 /nfs/dbraw/zinc/89/52/34/891895234.db2.gz SHNOOWJIHACVKU-GJZGRUSLSA-N 2 2 382.346 3.630 20 0 GHADLP Cc1nc(Cl)sc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124838021 891996148 /nfs/dbraw/zinc/99/61/48/891996148.db2.gz RYVTYLKHNIMPNB-JKSUJKDBSA-N 2 2 399.004 3.514 20 0 GHADLP Cc1nc(Cl)sc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124838021 891996157 /nfs/dbraw/zinc/99/61/57/891996157.db2.gz RYVTYLKHNIMPNB-JKSUJKDBSA-N 2 2 399.004 3.514 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc2ccccc2o1 ZINC000162045510 892046576 /nfs/dbraw/zinc/04/65/76/892046576.db2.gz KGSXVCJUIMIGNL-SFHVURJKSA-N 2 2 380.488 3.995 20 0 GHADLP Fc1ccccc1-c1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)s1 ZINC000261867752 892147268 /nfs/dbraw/zinc/14/72/68/892147268.db2.gz ZGMVWTCRDVLCBC-UHFFFAOYSA-N 2 2 397.523 3.629 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508714120 892792670 /nfs/dbraw/zinc/79/26/70/892792670.db2.gz URPJXNBCPNWONB-BWKNWUBXSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714120 892792681 /nfs/dbraw/zinc/79/26/81/892792681.db2.gz URPJXNBCPNWONB-BWKNWUBXSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508721005 892973988 /nfs/dbraw/zinc/97/39/88/892973988.db2.gz OGQCKBYFYAERCM-OFVILXPXSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721005 892973997 /nfs/dbraw/zinc/97/39/97/892973997.db2.gz OGQCKBYFYAERCM-OFVILXPXSA-N 3 2 393.575 3.519 20 0 GHADLP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000562964668 893225389 /nfs/dbraw/zinc/22/53/89/893225389.db2.gz ZBEDBDBJIMREIU-IFMALSPDSA-N 2 2 392.547 3.666 20 0 GHADLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000815058905 893364269 /nfs/dbraw/zinc/36/42/69/893364269.db2.gz YLBKJPIKOWWVIP-DYVFJYSZSA-N 2 2 389.765 3.584 20 0 GHADLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000815058905 893364290 /nfs/dbraw/zinc/36/42/90/893364290.db2.gz YLBKJPIKOWWVIP-DYVFJYSZSA-N 2 2 389.765 3.584 20 0 GHADLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000815058905 893364309 /nfs/dbraw/zinc/36/43/09/893364309.db2.gz YLBKJPIKOWWVIP-DYVFJYSZSA-N 2 2 389.765 3.584 20 0 GHADLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000815058905 893364323 /nfs/dbraw/zinc/36/43/23/893364323.db2.gz YLBKJPIKOWWVIP-DYVFJYSZSA-N 2 2 389.765 3.584 20 0 GHADLP C[C@@](O)(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1Cl ZINC000815070263 893415499 /nfs/dbraw/zinc/41/54/99/893415499.db2.gz SANDDQDVHAPAGK-SJKOYZFVSA-N 2 2 398.732 3.913 20 0 GHADLP C[C@@](O)(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1Cl ZINC000815070263 893415507 /nfs/dbraw/zinc/41/55/07/893415507.db2.gz SANDDQDVHAPAGK-SJKOYZFVSA-N 2 2 398.732 3.913 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3OC(F)F)C2)CC1 ZINC000536663188 893476600 /nfs/dbraw/zinc/47/66/00/893476600.db2.gz CHWJESZAQIGWRE-QGZVFWFLSA-N 2 2 387.902 3.542 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3OC(F)F)C2)CC1 ZINC000536663188 893476610 /nfs/dbraw/zinc/47/66/10/893476610.db2.gz CHWJESZAQIGWRE-QGZVFWFLSA-N 2 2 387.902 3.542 20 0 GHADLP COc1cnc([C@@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)[nH]c1=O ZINC000934277979 893518593 /nfs/dbraw/zinc/51/85/93/893518593.db2.gz DVTFBMQRGRVBQW-IBGZPJMESA-N 2 2 382.508 3.514 20 0 GHADLP COc1cnc([C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)[nH]c1=O ZINC000934277979 893518615 /nfs/dbraw/zinc/51/86/15/893518615.db2.gz DVTFBMQRGRVBQW-IBGZPJMESA-N 2 2 382.508 3.514 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129506900 893525428 /nfs/dbraw/zinc/52/54/28/893525428.db2.gz KZTDSSNNVQATAN-KDOFPFPSSA-N 2 2 395.334 3.731 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129506900 893525445 /nfs/dbraw/zinc/52/54/45/893525445.db2.gz KZTDSSNNVQATAN-KDOFPFPSSA-N 2 2 395.334 3.731 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000444800160 893581524 /nfs/dbraw/zinc/58/15/24/893581524.db2.gz ISTLMPLAEGGSEY-IBGZPJMESA-N 2 2 380.536 3.965 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000444800160 893581539 /nfs/dbraw/zinc/58/15/39/893581539.db2.gz ISTLMPLAEGGSEY-IBGZPJMESA-N 2 2 380.536 3.965 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CN2CCCC2=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000556059245 893583754 /nfs/dbraw/zinc/58/37/54/893583754.db2.gz LFDQUVNZUKTCSX-VABKMULXSA-N 2 2 377.532 3.775 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@@H](CN2CCCC2=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000556059245 893583765 /nfs/dbraw/zinc/58/37/65/893583765.db2.gz LFDQUVNZUKTCSX-VABKMULXSA-N 2 2 377.532 3.775 20 0 GHADLP Clc1cccc(N2CC[NH+](C3CC[NH+](CC[C@@H]4CCCCO4)CC3)CC2)c1 ZINC000459501458 893639212 /nfs/dbraw/zinc/63/92/12/893639212.db2.gz FCMPXQCUWCJNMA-QFIPXVFZSA-N 2 2 391.987 3.886 20 0 GHADLP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1C ZINC000563439151 893726107 /nfs/dbraw/zinc/72/61/07/893726107.db2.gz FTOPRXHEOGXKPF-QFBILLFUSA-N 2 2 380.458 3.920 20 0 GHADLP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1C ZINC000563439151 893726115 /nfs/dbraw/zinc/72/61/15/893726115.db2.gz FTOPRXHEOGXKPF-QFBILLFUSA-N 2 2 380.458 3.920 20 0 GHADLP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(=O)Nc1nccs1 ZINC000556118127 893831574 /nfs/dbraw/zinc/83/15/74/893831574.db2.gz LCFPVQVNJHPOLB-FHWLQOOXSA-N 2 2 386.565 3.921 20 0 GHADLP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(=O)Nc1nccs1 ZINC000556118127 893831589 /nfs/dbraw/zinc/83/15/89/893831589.db2.gz LCFPVQVNJHPOLB-FHWLQOOXSA-N 2 2 386.565 3.921 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)C[C@H]1c1ccccc1 ZINC000556119558 893832574 /nfs/dbraw/zinc/83/25/74/893832574.db2.gz AGMWTRVHEGTSDQ-UEXGIBASSA-N 2 2 383.923 3.870 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)C[C@H]1c1ccccc1 ZINC000556119558 893832587 /nfs/dbraw/zinc/83/25/87/893832587.db2.gz AGMWTRVHEGTSDQ-UEXGIBASSA-N 2 2 383.923 3.870 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000536834863 893906941 /nfs/dbraw/zinc/90/69/41/893906941.db2.gz YGHVQEGHKXNAMY-YADARESESA-N 2 2 387.531 3.971 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536836819 893911184 /nfs/dbraw/zinc/91/11/84/893911184.db2.gz CIJPUTHBZVNWQS-UZLBHIALSA-N 2 2 378.451 3.858 20 0 GHADLP C[N@H+](C[C@@H]1CC[C@@H](c2ccccc2)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000878171062 894070485 /nfs/dbraw/zinc/07/04/85/894070485.db2.gz YFIXQFXRGJYNJW-ZEQRLZLVSA-N 2 2 379.548 3.941 20 0 GHADLP C[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000878171062 894070499 /nfs/dbraw/zinc/07/04/99/894070499.db2.gz YFIXQFXRGJYNJW-ZEQRLZLVSA-N 2 2 379.548 3.941 20 0 GHADLP Fc1ccc([C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C2CC2)cc1 ZINC000536999012 894204301 /nfs/dbraw/zinc/20/43/01/894204301.db2.gz UHMXHUHOYGRSIK-HSZRJFAPSA-N 2 2 384.495 3.778 20 0 GHADLP O[C@]1(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000537312383 894757386 /nfs/dbraw/zinc/75/73/86/894757386.db2.gz RYWJRIXKTQDRLY-IBGZPJMESA-N 2 2 382.401 3.571 20 0 GHADLP O[C@]1(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000537312383 894757397 /nfs/dbraw/zinc/75/73/97/894757397.db2.gz RYWJRIXKTQDRLY-IBGZPJMESA-N 2 2 382.401 3.571 20 0 GHADLP Brc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1Br ZINC000564418140 894955352 /nfs/dbraw/zinc/95/53/52/894955352.db2.gz CBWCFUODMOBYIJ-SNVBAGLBSA-N 2 2 385.103 3.582 20 0 GHADLP COc1ccc([C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N(C)C)cc1OC ZINC000565132627 895412508 /nfs/dbraw/zinc/41/25/08/895412508.db2.gz YCRPVRGYZMOVCV-NRFANRHFSA-N 2 2 389.584 3.693 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)s1 ZINC000796259317 913994603 /nfs/dbraw/zinc/99/46/03/913994603.db2.gz URGWNHXDIXJQCW-GOSISDBHSA-N 2 2 378.973 3.785 20 0 GHADLP CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568372 895751526 /nfs/dbraw/zinc/75/15/26/895751526.db2.gz XUXPNYXYXGAPAG-OAQYLSRUSA-N 2 2 376.504 3.978 20 0 GHADLP COc1ccc([C@@H]([NH2+]CCc2c[nH]c3cccc(OC)c23)[C@@H]2CCC[NH2+]2)cc1 ZINC000817920133 895962554 /nfs/dbraw/zinc/96/25/54/895962554.db2.gz BPWFJGKPMNCHDU-NZQKXSOJSA-N 2 2 379.504 3.811 20 0 GHADLP CCCC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000566497224 896340179 /nfs/dbraw/zinc/34/01/79/896340179.db2.gz UVRVWEIDNVYXNH-NRFANRHFSA-N 2 2 383.540 3.616 20 0 GHADLP O[C@@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(Cl)c1 ZINC000819274961 896560236 /nfs/dbraw/zinc/56/02/36/896560236.db2.gz KFZNSZOREUOHMF-JCYILVPMSA-N 2 2 376.850 3.768 20 0 GHADLP C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000566893496 896673901 /nfs/dbraw/zinc/67/39/01/896673901.db2.gz AVHZHBRAPWGAHC-RBUKOAKNSA-N 2 2 394.563 3.707 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)Cn1cc(Br)c(-c2ccc(F)cc2)n1 ZINC000130632741 897164301 /nfs/dbraw/zinc/16/43/01/897164301.db2.gz XOLBCTXNTCRDIL-UHFFFAOYSA-N 2 2 392.276 3.628 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)Cn1cc(Br)c(-c2ccc(F)cc2)n1 ZINC000130632741 897164311 /nfs/dbraw/zinc/16/43/11/897164311.db2.gz XOLBCTXNTCRDIL-UHFFFAOYSA-N 2 2 392.276 3.628 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)n2)C1 ZINC001136351121 897392280 /nfs/dbraw/zinc/39/22/80/897392280.db2.gz GGEZATPWVQWOEI-IRXDYDNUSA-N 2 2 390.597 3.968 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)n2)C1 ZINC001136351121 897392288 /nfs/dbraw/zinc/39/22/88/897392288.db2.gz GGEZATPWVQWOEI-IRXDYDNUSA-N 2 2 390.597 3.968 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)n2)C1 ZINC001136351121 897392295 /nfs/dbraw/zinc/39/22/95/897392295.db2.gz GGEZATPWVQWOEI-IRXDYDNUSA-N 2 2 390.597 3.968 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)n2)C1 ZINC001136351121 897392308 /nfs/dbraw/zinc/39/23/08/897392308.db2.gz GGEZATPWVQWOEI-IRXDYDNUSA-N 2 2 390.597 3.968 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc2c(c1)C[N@H+]([C@@H]1CC[NH+]3CCC[C@H]3C1)CCO2 ZINC000883279127 897436291 /nfs/dbraw/zinc/43/62/91/897436291.db2.gz JOXFKMHQZWOFPG-RBUKOAKNSA-N 2 2 387.524 3.855 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH+]3CCC[C@H]3C1)CCO2 ZINC000883279127 897436305 /nfs/dbraw/zinc/43/63/05/897436305.db2.gz JOXFKMHQZWOFPG-RBUKOAKNSA-N 2 2 387.524 3.855 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc2c(c1)C[NH+]([C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCO2 ZINC000883279127 897436311 /nfs/dbraw/zinc/43/63/11/897436311.db2.gz JOXFKMHQZWOFPG-RBUKOAKNSA-N 2 2 387.524 3.855 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc2c(c1)C[NH+]([C@@H]1CC[N@H+]3CCC[C@H]3C1)CCO2 ZINC000883279127 897436318 /nfs/dbraw/zinc/43/63/18/897436318.db2.gz JOXFKMHQZWOFPG-RBUKOAKNSA-N 2 2 387.524 3.855 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000568409607 897816156 /nfs/dbraw/zinc/81/61/56/897816156.db2.gz MXFVOYDQGUDUGC-QFBILLFUSA-N 2 2 397.485 3.546 20 0 GHADLP C[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000568409607 897816162 /nfs/dbraw/zinc/81/61/62/897816162.db2.gz MXFVOYDQGUDUGC-QFBILLFUSA-N 2 2 397.485 3.546 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+][C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000778643251 897823205 /nfs/dbraw/zinc/82/32/05/897823205.db2.gz MVFJSJVHZFGEAA-QAPCUYQASA-N 2 2 397.954 3.930 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000778643251 897823218 /nfs/dbraw/zinc/82/32/18/897823218.db2.gz MVFJSJVHZFGEAA-QAPCUYQASA-N 2 2 397.954 3.930 20 0 GHADLP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000568631044 897994113 /nfs/dbraw/zinc/99/41/13/897994113.db2.gz YVGJTCNULQOSTI-SFHVURJKSA-N 2 2 393.531 3.566 20 0 GHADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CN1C(=O)OC(C)(C)C ZINC000822450566 898380501 /nfs/dbraw/zinc/38/05/01/898380501.db2.gz ABOVUYFJXMWNRT-YLJYHZDGSA-N 2 2 384.524 3.809 20 0 GHADLP C[C@@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000111243338 898794240 /nfs/dbraw/zinc/79/42/40/898794240.db2.gz HMOPURLXNZEEIF-CYBMUJFWSA-N 2 2 381.307 3.704 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccnc(Cl)c1F ZINC000823478018 899051739 /nfs/dbraw/zinc/05/17/39/899051739.db2.gz YZOFTMMMGAMPMK-UHFFFAOYSA-N 3 2 382.955 3.502 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccnc(Cl)c1F ZINC000823478018 899051749 /nfs/dbraw/zinc/05/17/49/899051749.db2.gz YZOFTMMMGAMPMK-UHFFFAOYSA-N 3 2 382.955 3.502 20 0 GHADLP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3ncnc4c3C[N@H+](C)CC4)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC001171026239 899221770 /nfs/dbraw/zinc/22/17/70/899221770.db2.gz ABNLHVYSUMJAND-WHHPXKAQSA-N 2 2 385.600 3.835 20 0 GHADLP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3ncnc4c3C[N@@H+](C)CC4)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC001171026239 899221781 /nfs/dbraw/zinc/22/17/81/899221781.db2.gz ABNLHVYSUMJAND-WHHPXKAQSA-N 2 2 385.600 3.835 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)c1ccccc1 ZINC000823944267 899326053 /nfs/dbraw/zinc/32/60/53/899326053.db2.gz VBXADEJRMMROMB-SELNLUPBSA-N 2 2 396.535 3.551 20 0 GHADLP O=C1[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccccc1 ZINC000570842804 899634147 /nfs/dbraw/zinc/63/41/47/899634147.db2.gz SMOXJCBZSLWRCU-IRLDBZIGSA-N 2 2 375.516 3.579 20 0 GHADLP O=C1[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccccc1 ZINC000570842804 899634156 /nfs/dbraw/zinc/63/41/56/899634156.db2.gz SMOXJCBZSLWRCU-IRLDBZIGSA-N 2 2 375.516 3.579 20 0 GHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)C2)C1 ZINC000571067570 899730166 /nfs/dbraw/zinc/73/01/66/899730166.db2.gz HPJAKWVYSUOIRY-LJQANCHMSA-N 2 2 378.442 3.809 20 0 GHADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)C2)C1 ZINC000571067570 899730178 /nfs/dbraw/zinc/73/01/78/899730178.db2.gz HPJAKWVYSUOIRY-LJQANCHMSA-N 2 2 378.442 3.809 20 0 GHADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)C2)C1 ZINC000571067570 899730190 /nfs/dbraw/zinc/73/01/90/899730190.db2.gz HPJAKWVYSUOIRY-LJQANCHMSA-N 2 2 378.442 3.809 20 0 GHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)C2)C1 ZINC000571067570 899730197 /nfs/dbraw/zinc/73/01/97/899730197.db2.gz HPJAKWVYSUOIRY-LJQANCHMSA-N 2 2 378.442 3.809 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccc2c(c1)CCC2 ZINC000333179836 900015586 /nfs/dbraw/zinc/01/55/86/900015586.db2.gz SBQOXMRZSCLRBC-UHFFFAOYSA-N 2 2 378.520 3.526 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000571969529 900023988 /nfs/dbraw/zinc/02/39/88/900023988.db2.gz WNQAWBTVYXOSQM-RXVVDRJESA-N 2 2 388.515 3.504 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000571969529 900023993 /nfs/dbraw/zinc/02/39/93/900023993.db2.gz WNQAWBTVYXOSQM-RXVVDRJESA-N 2 2 388.515 3.504 20 0 GHADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000572089167 900064876 /nfs/dbraw/zinc/06/48/76/900064876.db2.gz TTXXIHQUBVKBEQ-MOPGFXCFSA-N 2 2 376.614 3.788 20 0 GHADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ncc(C(F)(F)F)[nH]1)CC2 ZINC001137014016 900068939 /nfs/dbraw/zinc/06/89/39/900068939.db2.gz XOBUIEYTFRJOCX-UHFFFAOYSA-N 2 2 393.457 3.700 20 0 GHADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ncc(C(F)(F)F)[nH]1)CC2 ZINC001137014016 900068945 /nfs/dbraw/zinc/06/89/45/900068945.db2.gz XOBUIEYTFRJOCX-UHFFFAOYSA-N 2 2 393.457 3.700 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000574679881 900970381 /nfs/dbraw/zinc/97/03/81/900970381.db2.gz ZCLKTIUFLMPUDI-HYBUGGRVSA-N 2 2 396.531 3.688 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000158404023 901379398 /nfs/dbraw/zinc/37/93/98/901379398.db2.gz ZZFGIOWUQXBYSO-UHFFFAOYSA-N 2 2 394.906 3.920 20 0 GHADLP CN(C(=O)c1cncc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124645191 902097452 /nfs/dbraw/zinc/09/74/52/902097452.db2.gz ZBSHWAIVACHCKZ-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cncc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124645191 902097464 /nfs/dbraw/zinc/09/74/64/902097464.db2.gz ZBSHWAIVACHCKZ-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1 ZINC000290274199 914607396 /nfs/dbraw/zinc/60/73/96/914607396.db2.gz LTHDXIFOLUCOOI-GOSISDBHSA-N 3 2 393.535 3.757 20 0 GHADLP COCC[N@H+](Cc1cc(Cl)cc(Br)c1)C1CC[NH+](C)CC1 ZINC001144690923 902614399 /nfs/dbraw/zinc/61/43/99/902614399.db2.gz ZCCGMEJMFWABKU-UHFFFAOYSA-N 2 2 375.738 3.645 20 0 GHADLP COCC[N@@H+](Cc1cc(Cl)cc(Br)c1)C1CC[NH+](C)CC1 ZINC001144690923 902614407 /nfs/dbraw/zinc/61/44/07/902614407.db2.gz ZCCGMEJMFWABKU-UHFFFAOYSA-N 2 2 375.738 3.645 20 0 GHADLP C[C@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000600945732 903144233 /nfs/dbraw/zinc/14/42/33/903144233.db2.gz JPSYCCAAIIXMQT-IIBYNOLFSA-N 2 2 385.939 3.506 20 0 GHADLP C[C@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000600945732 903144237 /nfs/dbraw/zinc/14/42/37/903144237.db2.gz JPSYCCAAIIXMQT-IIBYNOLFSA-N 2 2 385.939 3.506 20 0 GHADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846837501 903258658 /nfs/dbraw/zinc/25/86/58/903258658.db2.gz NPURZPHNSQULAJ-UHFFFAOYSA-N 2 2 381.351 3.611 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC001146891156 903630272 /nfs/dbraw/zinc/63/02/72/903630272.db2.gz QHVDWPFTCJLAKV-UHFFFAOYSA-N 2 2 396.560 3.577 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC001146891156 903630277 /nfs/dbraw/zinc/63/02/77/903630277.db2.gz QHVDWPFTCJLAKV-UHFFFAOYSA-N 2 2 396.560 3.577 20 0 GHADLP COc1cccc(-c2nc(C[N@H+](C)CCCn3cc[nH+]c3C)cs2)c1OC ZINC000136303940 903773262 /nfs/dbraw/zinc/77/32/62/903773262.db2.gz XNQHVXYUVNTMOX-UHFFFAOYSA-N 2 2 386.521 3.854 20 0 GHADLP COc1cccc(-c2nc(C[N@@H+](C)CCCn3cc[nH+]c3C)cs2)c1OC ZINC000136303940 903773274 /nfs/dbraw/zinc/77/32/74/903773274.db2.gz XNQHVXYUVNTMOX-UHFFFAOYSA-N 2 2 386.521 3.854 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@@H]2CCc3cc(F)c(F)c(F)c3C2)[nH+]c1 ZINC001171547020 904787049 /nfs/dbraw/zinc/78/70/49/904787049.db2.gz NUSGNFOOXGCPJN-MRXNPFEDSA-N 2 2 375.438 3.923 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171907785 905139433 /nfs/dbraw/zinc/13/94/33/905139433.db2.gz ZMLQGWLRLIXPNJ-RTWAWAEBSA-N 2 2 379.504 3.538 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171907785 905139435 /nfs/dbraw/zinc/13/94/35/905139435.db2.gz ZMLQGWLRLIXPNJ-RTWAWAEBSA-N 2 2 379.504 3.538 20 0 GHADLP Cc1cccnc1N1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171975961 905220400 /nfs/dbraw/zinc/22/04/00/905220400.db2.gz HDDFTDFCNSJPFQ-QFIPXVFZSA-N 2 2 378.564 3.955 20 0 GHADLP Cc1cccnc1N1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171975961 905220417 /nfs/dbraw/zinc/22/04/17/905220417.db2.gz HDDFTDFCNSJPFQ-QFIPXVFZSA-N 2 2 378.564 3.955 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCN(c4ccccn4)CC2)C3)cc1 ZINC001172078570 905289538 /nfs/dbraw/zinc/28/95/38/905289538.db2.gz IJGIGHUZPOJNBB-NUNAXRQHSA-N 2 2 376.548 3.789 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCN(c4ccccn4)CC2)C3)cc1 ZINC001172078570 905289563 /nfs/dbraw/zinc/28/95/63/905289563.db2.gz IJGIGHUZPOJNBB-NUNAXRQHSA-N 2 2 376.548 3.789 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCN(c4ccccn4)CC2)C3)cc1 ZINC001172078569 905289995 /nfs/dbraw/zinc/28/99/95/905289995.db2.gz IJGIGHUZPOJNBB-JKHIJQBDSA-N 2 2 376.548 3.789 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCN(c4ccccn4)CC2)C3)cc1 ZINC001172078569 905290014 /nfs/dbraw/zinc/29/00/14/905290014.db2.gz IJGIGHUZPOJNBB-JKHIJQBDSA-N 2 2 376.548 3.789 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC3(C1)CC[N@H+](CC1CC1)C3)C2 ZINC001172097915 905320482 /nfs/dbraw/zinc/32/04/82/905320482.db2.gz VGHDUQMIURBQCY-ACDBMABISA-N 2 2 389.584 3.725 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC3(C1)CC[N@@H+](CC1CC1)C3)C2 ZINC001172097915 905320514 /nfs/dbraw/zinc/32/05/14/905320514.db2.gz VGHDUQMIURBQCY-ACDBMABISA-N 2 2 389.584 3.725 20 0 GHADLP COCCC[NH+]1CCC([NH+]2CCC(C(=O)c3cnc4ccccc4c3)CC2)CC1 ZINC001172256642 905450229 /nfs/dbraw/zinc/45/02/29/905450229.db2.gz BIZUPJIGLDTVOE-UHFFFAOYSA-N 2 2 395.547 3.630 20 0 GHADLP CC(C)COCC[C@H](C)[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001172478485 905556457 /nfs/dbraw/zinc/55/64/57/905556457.db2.gz AQKYWXMZBSXWMI-AWEZNQCLSA-N 2 2 380.330 3.947 20 0 GHADLP CC(C)OCC[C@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC001172436177 905559937 /nfs/dbraw/zinc/55/99/37/905559937.db2.gz ASMDCSWUZKRFLU-JTSKRJEESA-N 2 2 394.519 3.921 20 0 GHADLP COC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001172593257 905657193 /nfs/dbraw/zinc/65/71/93/905657193.db2.gz ULBSQCMXVQQASC-QFBILLFUSA-N 2 2 398.469 3.991 20 0 GHADLP [NH3+]CCCC[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)C(=O)OCc1ccccc1 ZINC001172709839 905793929 /nfs/dbraw/zinc/79/39/29/905793929.db2.gz GDGJFOQAUIMEHV-RTWAWAEBSA-N 2 2 386.923 3.638 20 0 GHADLP c1cnn(Cc2c[nH+]c3n2CC[N@@H+](C2CCC(Cc4ccccc4)CC2)CC3)c1 ZINC001172821434 905852064 /nfs/dbraw/zinc/85/20/64/905852064.db2.gz IIRCDDJQYXJAOD-UHFFFAOYSA-N 2 2 389.547 3.788 20 0 GHADLP c1cnn(Cc2c[nH+]c3n2CC[N@H+](C2CCC(Cc4ccccc4)CC2)CC3)c1 ZINC001172821434 905852075 /nfs/dbraw/zinc/85/20/75/905852075.db2.gz IIRCDDJQYXJAOD-UHFFFAOYSA-N 2 2 389.547 3.788 20 0 GHADLP CO[C@@H]1CCC[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)C1 ZINC001172926490 905995097 /nfs/dbraw/zinc/99/50/97/905995097.db2.gz BHMXPUKQGUTUEY-FCEUIQTBSA-N 2 2 392.503 3.675 20 0 GHADLP Cc1ccc(N([C@@H](C)CCN(C)C(=O)OC(C)(C)C)C2CC[NH2+]CC2)[nH+]c1 ZINC001172967133 906027776 /nfs/dbraw/zinc/02/77/76/906027776.db2.gz GSVZUHSEJZBKHO-KRWDZBQOSA-N 2 2 376.545 3.594 20 0 GHADLP C[C@@H]1CC[C@@H]([NH+]2CCC([NH+]3CCC(F)CC3)CC2)CN1C(=O)OC(C)(C)C ZINC001173066013 906144406 /nfs/dbraw/zinc/14/44/06/906144406.db2.gz OGEZACOBIUJEGJ-VQIMIIECSA-N 2 2 383.552 3.673 20 0 GHADLP Cc1ccc2oc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2n1 ZINC000178876851 906396910 /nfs/dbraw/zinc/39/69/10/906396910.db2.gz NIMUTEGQAMYOBZ-WOJBJXKFSA-N 2 2 398.551 3.545 20 0 GHADLP Cc1ccc2oc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2n1 ZINC000178876851 906396923 /nfs/dbraw/zinc/39/69/23/906396923.db2.gz NIMUTEGQAMYOBZ-WOJBJXKFSA-N 2 2 398.551 3.545 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1nc2ccccc2n1C ZINC000180096038 906687342 /nfs/dbraw/zinc/68/73/42/906687342.db2.gz TWVZBGQOOFZUJU-IRXDYDNUSA-N 2 2 395.526 3.876 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629657287 906934957 /nfs/dbraw/zinc/93/49/57/906934957.db2.gz VTIKPQDZRWAPDI-SUMWQHHRSA-N 2 2 386.849 3.793 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629657287 906934966 /nfs/dbraw/zinc/93/49/66/906934966.db2.gz VTIKPQDZRWAPDI-SUMWQHHRSA-N 2 2 386.849 3.793 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000181589047 907032638 /nfs/dbraw/zinc/03/26/38/907032638.db2.gz ZFKGIMRVSQACND-RBUKOAKNSA-N 2 2 383.536 3.983 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(-c3cnn(C)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000185020214 907697257 /nfs/dbraw/zinc/69/72/57/907697257.db2.gz NGXIMHKWINMJKM-XLIONFOSSA-N 2 2 379.508 3.560 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(-c3cnn(C)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC000185020214 907697267 /nfs/dbraw/zinc/69/72/67/907697267.db2.gz NGXIMHKWINMJKM-XLIONFOSSA-N 2 2 379.508 3.560 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(-c3cnn(C)c3)no2)CC[NH+]1Cc1ccccc1 ZINC000185020214 907697276 /nfs/dbraw/zinc/69/72/76/907697276.db2.gz NGXIMHKWINMJKM-XLIONFOSSA-N 2 2 379.508 3.560 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(-c3cnn(C)c3)no2)CC[NH+]1Cc1ccccc1 ZINC000185020214 907697291 /nfs/dbraw/zinc/69/72/91/907697291.db2.gz NGXIMHKWINMJKM-XLIONFOSSA-N 2 2 379.508 3.560 20 0 GHADLP CC[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc(OC)c1OC ZINC000631574937 907764226 /nfs/dbraw/zinc/76/42/26/907764226.db2.gz HCPIMGSAPPGSLD-VXKWHMMOSA-N 2 2 397.563 3.733 20 0 GHADLP COc1cc2c(cc1OC)[C@@H](C)[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC001175882333 907789420 /nfs/dbraw/zinc/78/94/20/907789420.db2.gz GDZTXTIXXYGAGE-GOSISDBHSA-N 2 2 396.531 3.655 20 0 GHADLP COc1cc2c(cc1OC)[C@@H](C)[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC001175882333 907789437 /nfs/dbraw/zinc/78/94/37/907789437.db2.gz GDZTXTIXXYGAGE-GOSISDBHSA-N 2 2 396.531 3.655 20 0 GHADLP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001177097979 908405398 /nfs/dbraw/zinc/40/53/98/908405398.db2.gz DSQNTUVJTNFDHJ-UHFFFAOYSA-N 2 2 392.469 3.921 20 0 GHADLP CC(C)c1[nH+]c(CNCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccn21 ZINC001177235306 908476357 /nfs/dbraw/zinc/47/63/57/908476357.db2.gz CBPGFKWRXUPJAC-UHFFFAOYSA-N 2 2 391.563 3.760 20 0 GHADLP COCCC[NH+]1CCC([NH2+]Cc2c(Br)c3ccccc3n2C)CC1 ZINC001177587173 908651774 /nfs/dbraw/zinc/65/17/74/908651774.db2.gz ZYJJTZMQNCSEDX-UHFFFAOYSA-N 2 2 394.357 3.531 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000192254942 908745232 /nfs/dbraw/zinc/74/52/32/908745232.db2.gz MZTHJGJKTMYQCI-UHFFFAOYSA-N 2 2 382.508 3.806 20 0 GHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC001177911850 908797984 /nfs/dbraw/zinc/79/79/84/908797984.db2.gz LJKOFCQAFJTXAH-DENIHFKCSA-N 2 2 395.934 3.861 20 0 GHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC001177911850 908797992 /nfs/dbraw/zinc/79/79/92/908797992.db2.gz LJKOFCQAFJTXAH-DENIHFKCSA-N 2 2 395.934 3.861 20 0 GHADLP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001178095047 908900783 /nfs/dbraw/zinc/90/07/83/908900783.db2.gz QVSDHPODIZBWAG-NRFANRHFSA-N 2 2 396.510 3.678 20 0 GHADLP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001178095047 908900796 /nfs/dbraw/zinc/90/07/96/908900796.db2.gz QVSDHPODIZBWAG-NRFANRHFSA-N 2 2 396.510 3.678 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001178727573 909221944 /nfs/dbraw/zinc/22/19/44/909221944.db2.gz VDGZCTWAQIVDOD-AUSIDOKSSA-N 2 2 388.515 3.599 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001178727573 909221957 /nfs/dbraw/zinc/22/19/57/909221957.db2.gz VDGZCTWAQIVDOD-AUSIDOKSSA-N 2 2 388.515 3.599 20 0 GHADLP Cc1ccc(C2=CC[N@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001180177699 909975866 /nfs/dbraw/zinc/97/58/66/909975866.db2.gz FCORUNKAGLAMFX-UHFFFAOYSA-N 2 2 392.543 3.995 20 0 GHADLP Cc1ccc(C2=CC[N@@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001180177699 909975870 /nfs/dbraw/zinc/97/58/70/909975870.db2.gz FCORUNKAGLAMFX-UHFFFAOYSA-N 2 2 392.543 3.995 20 0 GHADLP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000268826380 910034990 /nfs/dbraw/zinc/03/49/90/910034990.db2.gz ZEYCBFWEHUTMST-XMSQKQJNSA-N 2 2 375.520 3.576 20 0 GHADLP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000268826380 910035004 /nfs/dbraw/zinc/03/50/04/910035004.db2.gz ZEYCBFWEHUTMST-XMSQKQJNSA-N 2 2 375.520 3.576 20 0 GHADLP [NH3+][C@@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000638050858 910039949 /nfs/dbraw/zinc/03/99/49/910039949.db2.gz STLYYBJSCXZXQH-OAHLLOKOSA-N 2 2 398.454 3.786 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001274451094 910067196 /nfs/dbraw/zinc/06/71/96/910067196.db2.gz KWRVRONQFWINGQ-CTNGQTDRSA-N 2 2 377.960 3.667 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001274451094 910067207 /nfs/dbraw/zinc/06/72/07/910067207.db2.gz KWRVRONQFWINGQ-CTNGQTDRSA-N 2 2 377.960 3.667 20 0 GHADLP Clc1ccccc1CN1CCC([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000268917382 910069193 /nfs/dbraw/zinc/06/91/93/910069193.db2.gz VLYXMCUNBBLRPY-UHFFFAOYSA-N 2 2 391.987 3.539 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]CC2=CC[N@H+](C)CC2)cs1)c1cccc(Cl)c1 ZINC000638839107 910248135 /nfs/dbraw/zinc/24/81/35/910248135.db2.gz XMNMUMJMRLTBBM-UHFFFAOYSA-N 2 2 390.940 3.833 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]CC2=CC[N@@H+](C)CC2)cs1)c1cccc(Cl)c1 ZINC000638839107 910248145 /nfs/dbraw/zinc/24/81/45/910248145.db2.gz XMNMUMJMRLTBBM-UHFFFAOYSA-N 2 2 390.940 3.833 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000246578148 910385818 /nfs/dbraw/zinc/38/58/18/910385818.db2.gz YKZZMUMXLXERAM-ZMYBRWDISA-N 2 2 394.346 3.922 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000246578148 910385835 /nfs/dbraw/zinc/38/58/35/910385835.db2.gz YKZZMUMXLXERAM-ZMYBRWDISA-N 2 2 394.346 3.922 20 0 GHADLP CN(C(=O)c1cccc2cccnc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000270021135 910408903 /nfs/dbraw/zinc/40/89/03/910408903.db2.gz DIMLKRNMGZWLFC-VXKWHMMOSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cccc2cccnc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000270021135 910408910 /nfs/dbraw/zinc/40/89/10/910408910.db2.gz DIMLKRNMGZWLFC-VXKWHMMOSA-N 2 2 394.563 3.644 20 0 GHADLP CC(C)(C)[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)Nc2cc[nH+]c3c2CCC3)C1 ZINC001181340922 910698725 /nfs/dbraw/zinc/69/87/25/910698725.db2.gz GZTQULHBOXPWSV-ZWKOTPCHSA-N 2 2 399.485 3.723 20 0 GHADLP CC(C)(C)[N@@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)Nc2cc[nH+]c3c2CCC3)C1 ZINC001181340922 910698736 /nfs/dbraw/zinc/69/87/36/910698736.db2.gz GZTQULHBOXPWSV-ZWKOTPCHSA-N 2 2 399.485 3.723 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)CC1 ZINC000271221060 910822831 /nfs/dbraw/zinc/82/28/31/910822831.db2.gz PACFXEXOEDKIET-UHFFFAOYSA-N 2 2 385.474 3.576 20 0 GHADLP Cc1cccc(F)c1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000274105382 911224536 /nfs/dbraw/zinc/22/45/36/911224536.db2.gz KQZYKRRSYPHSTM-WOJBJXKFSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cccc(F)c1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000274105382 911224539 /nfs/dbraw/zinc/22/45/39/911224539.db2.gz KQZYKRRSYPHSTM-WOJBJXKFSA-N 2 2 390.547 3.935 20 0 GHADLP Brc1cccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000642242434 911898860 /nfs/dbraw/zinc/89/88/60/911898860.db2.gz WFOSLWBDJAAWJM-UHFFFAOYSA-N 2 2 388.353 3.751 20 0 GHADLP C[N@@H+]1C[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC000647249198 915105288 /nfs/dbraw/zinc/10/52/88/915105288.db2.gz IULWTCBAMVMWEP-NOZRDPDXSA-N 3 2 377.576 3.629 20 0 GHADLP C[N@H+]1C[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC000647249198 915105302 /nfs/dbraw/zinc/10/53/02/915105302.db2.gz IULWTCBAMVMWEP-NOZRDPDXSA-N 3 2 377.576 3.629 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc2ccccc2c1 ZINC000647901890 915432622 /nfs/dbraw/zinc/43/26/22/915432622.db2.gz XCBCFQRSLPWELL-PTRHGPIFSA-N 2 2 379.548 3.870 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc2ccccc2c1 ZINC000647901890 915432626 /nfs/dbraw/zinc/43/26/26/915432626.db2.gz XCBCFQRSLPWELL-PTRHGPIFSA-N 2 2 379.548 3.870 20 0 GHADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000292855490 915876080 /nfs/dbraw/zinc/87/60/80/915876080.db2.gz ZQJKQAZCTBOWJZ-OALUTQOASA-N 2 2 387.549 3.683 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000648794734 915881457 /nfs/dbraw/zinc/88/14/57/915881457.db2.gz CRGWAHHJYGRNQW-SFHVURJKSA-N 2 2 394.519 3.938 20 0 GHADLP O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1-n1cc[nH+]c1 ZINC001190096420 917092676 /nfs/dbraw/zinc/09/26/76/917092676.db2.gz GLUBVTPHQLONCQ-UHFFFAOYSA-N 2 2 376.460 3.599 20 0 GHADLP Cc1ccc(N2CCC(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)CC2)[nH+]c1 ZINC000363274176 918016515 /nfs/dbraw/zinc/01/65/15/918016515.db2.gz JJCWDQANQMHXRA-FQEVSTJZSA-N 2 2 396.535 3.543 20 0 GHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000363444799 918268076 /nfs/dbraw/zinc/26/80/76/918268076.db2.gz AHOWYVDTDOWWJX-FQEVSTJZSA-N 2 2 390.524 3.676 20 0 GHADLP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000363727418 918739594 /nfs/dbraw/zinc/73/95/94/918739594.db2.gz DENVKGIKYDWBJA-UHFFFAOYSA-N 2 2 379.414 3.890 20 0 GHADLP Cc1[nH]c(-c2cccc(NC(=O)C3CCC([NH+]4CCOCC4)CC3)c2)[nH+]c1C ZINC000900347692 920231116 /nfs/dbraw/zinc/23/11/16/920231116.db2.gz ZGATXOPCDZGUMJ-UHFFFAOYSA-N 2 2 382.508 3.523 20 0 GHADLP CO[C@@H](C)c1nsc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000800853342 920530741 /nfs/dbraw/zinc/53/07/41/920530741.db2.gz PEYFKUKYBSORFH-AWEZNQCLSA-N 2 2 375.542 3.767 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(=O)[nH]n1 ZINC000367592158 922218688 /nfs/dbraw/zinc/21/86/88/922218688.db2.gz BIBLXZJGZYMSGH-ZUEVXXBESA-N 2 2 394.441 3.935 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(=O)[nH]n1 ZINC000367592158 922218698 /nfs/dbraw/zinc/21/86/98/922218698.db2.gz BIBLXZJGZYMSGH-ZUEVXXBESA-N 2 2 394.441 3.935 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000367751072 922295484 /nfs/dbraw/zinc/29/54/84/922295484.db2.gz CPGBTHYEZZUEBT-MRXNPFEDSA-N 2 2 397.523 3.565 20 0 GHADLP CC(C)c1nc(C2CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)no1 ZINC000368512057 922720061 /nfs/dbraw/zinc/72/00/61/922720061.db2.gz PIEWKHHLEKIIOC-UHFFFAOYSA-N 2 2 397.567 3.585 20 0 GHADLP COc1ccc(Cl)c2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000903099005 922770284 /nfs/dbraw/zinc/77/02/84/922770284.db2.gz XDFDJCTYNYHQNB-BEFAXECRSA-N 2 2 378.944 3.817 20 0 GHADLP CC(=O)OCc1cccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000903139067 922801151 /nfs/dbraw/zinc/80/11/51/922801151.db2.gz DAYRCWXBTMQOJB-QGZVFWFLSA-N 2 2 396.535 3.848 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000677113225 924242985 /nfs/dbraw/zinc/24/29/85/924242985.db2.gz BVINEUUXBNLZTM-UYAOXDASSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000677113225 924243001 /nfs/dbraw/zinc/24/30/01/924243001.db2.gz BVINEUUXBNLZTM-UYAOXDASSA-N 2 2 395.551 3.599 20 0 GHADLP CN1C(=O)C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000677246552 924299152 /nfs/dbraw/zinc/29/91/52/924299152.db2.gz SXRJVLKVBMLMLC-PZJWPPBQSA-N 2 2 398.869 3.726 20 0 GHADLP Fc1ccc([C@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCO2)cc1 ZINC000678145076 924632986 /nfs/dbraw/zinc/63/29/86/924632986.db2.gz CYVDWLKFGUTRDI-HSZRJFAPSA-N 2 2 384.495 3.874 20 0 GHADLP Fc1ccc([C@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCO2)cc1 ZINC000678145076 924632992 /nfs/dbraw/zinc/63/29/92/924632992.db2.gz CYVDWLKFGUTRDI-HSZRJFAPSA-N 2 2 384.495 3.874 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccco1 ZINC000371527530 924635296 /nfs/dbraw/zinc/63/52/96/924635296.db2.gz WXWRBXCYYRRQMT-MJGOQNOKSA-N 2 2 384.524 3.505 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccco1 ZINC000371527529 924635354 /nfs/dbraw/zinc/63/53/54/924635354.db2.gz WXWRBXCYYRRQMT-IEBWSBKVSA-N 2 2 384.524 3.505 20 0 GHADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cccc(OCc4ccc(F)cc4)c3)CC2)C1 ZINC000678258970 924692619 /nfs/dbraw/zinc/69/26/19/924692619.db2.gz TXOBZOUWHSXLCQ-QHCPKHFHSA-N 2 2 397.538 3.617 20 0 GHADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cccc(OCc4ccc(F)cc4)c3)CC2)C1 ZINC000678258970 924692625 /nfs/dbraw/zinc/69/26/25/924692625.db2.gz TXOBZOUWHSXLCQ-QHCPKHFHSA-N 2 2 397.538 3.617 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc3c(C)cc(Br)cn13)CCC2 ZINC000371749097 924820730 /nfs/dbraw/zinc/82/07/30/924820730.db2.gz YBJFESOHUOSQMX-AWEZNQCLSA-N 2 2 388.313 3.577 20 0 GHADLP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000678767872 924915711 /nfs/dbraw/zinc/91/57/11/924915711.db2.gz ROJQXGHPSQXUBH-YADARESESA-N 2 2 380.532 3.811 20 0 GHADLP CCCc1occc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000409852519 925068072 /nfs/dbraw/zinc/06/80/72/925068072.db2.gz HLVYBLYYNOAVKW-PMACEKPBSA-N 2 2 375.557 3.641 20 0 GHADLP CCCc1occc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000409852519 925068080 /nfs/dbraw/zinc/06/80/80/925068080.db2.gz HLVYBLYYNOAVKW-PMACEKPBSA-N 2 2 375.557 3.641 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2csc(-c3cnn(C)c3)n2)cc1 ZINC000679825068 925275899 /nfs/dbraw/zinc/27/58/99/925275899.db2.gz ZUXTXVRFEUUWET-CQSZACIVSA-N 2 2 378.505 3.889 20 0 GHADLP Cc1cc(-c2noc([C@@H](C)[NH2+]Cc3ccc(OCC[NH+](C)C)cc3)n2)ccc1F ZINC000682998795 926323355 /nfs/dbraw/zinc/32/33/55/926323355.db2.gz KVSXYNCAELHNKN-MRXNPFEDSA-N 2 2 398.482 3.975 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3CCCC[C@@H]3C(C)(C)C)CC2)CC1 ZINC000726241357 926606650 /nfs/dbraw/zinc/60/66/50/926606650.db2.gz FLDQCDXHNTWUNR-NQIIRXRSSA-N 2 2 392.632 3.697 20 0 GHADLP C[NH+]1CCC2(CCC[N@H+](Cc3nc(=O)c4c(-c5ccco5)csc4[nH]3)C2)CC1 ZINC000374072964 926726953 /nfs/dbraw/zinc/72/69/53/926726953.db2.gz VPDNLPFPWPWZGI-UHFFFAOYSA-N 2 2 398.532 3.965 20 0 GHADLP C[NH+]1CCC2(CCC[N@@H+](Cc3nc(=O)c4c(-c5ccco5)csc4[nH]3)C2)CC1 ZINC000374072964 926726968 /nfs/dbraw/zinc/72/69/68/926726968.db2.gz VPDNLPFPWPWZGI-UHFFFAOYSA-N 2 2 398.532 3.965 20 0 GHADLP CC(C)(C)OC(=O)Nc1ncc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)s1 ZINC000374312821 927010605 /nfs/dbraw/zinc/01/06/05/927010605.db2.gz GPQKKVOAZWVHCB-UHFFFAOYSA-N 2 2 380.558 3.987 20 0 GHADLP Cn1c[nH+]cc1CN1CC2(CCC1=O)CC[NH+](Cc1csc(Cl)c1)CC2 ZINC001276206857 927356236 /nfs/dbraw/zinc/35/62/36/927356236.db2.gz GTPYDGRAMXXYBY-UHFFFAOYSA-N 2 2 392.956 3.540 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(N(C)C)[nH+]1 ZINC000750425187 927616329 /nfs/dbraw/zinc/61/63/29/927616329.db2.gz RCSMKGXKEAQNEJ-LJQANCHMSA-N 2 2 381.524 3.584 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(N(C)C)[nH+]1 ZINC000750425187 927616332 /nfs/dbraw/zinc/61/63/32/927616332.db2.gz RCSMKGXKEAQNEJ-LJQANCHMSA-N 2 2 381.524 3.584 20 0 GHADLP CSC1(CNc2[nH+]ccc3cc(Br)ccc32)CC[NH+](C)CC1 ZINC000413312134 928425393 /nfs/dbraw/zinc/42/53/93/928425393.db2.gz PVDYYCMTFRDCQF-UHFFFAOYSA-N 2 2 380.355 3.659 20 0 GHADLP O=C1[C@@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCCN1c1ccccc1F ZINC000543989344 928654610 /nfs/dbraw/zinc/65/46/10/928654610.db2.gz DSEPYQTZLRTCDY-NRFANRHFSA-N 2 2 384.499 3.710 20 0 GHADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)N(Cc1ccccc1)C1CC1 ZINC000543990285 928656569 /nfs/dbraw/zinc/65/65/69/928656569.db2.gz ZTYSTUMBKVZFDS-UHFFFAOYSA-N 2 2 380.536 3.567 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1nc(C(F)(F)F)cs1 ZINC000467738527 929357412 /nfs/dbraw/zinc/35/74/12/929357412.db2.gz WMFYORMXYHCACC-ZDUSSCGKSA-N 2 2 399.482 3.969 20 0 GHADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1Br ZINC000469484712 929929990 /nfs/dbraw/zinc/92/99/90/929929990.db2.gz XKZCLOTVDKUTSA-GOSISDBHSA-N 2 2 390.325 3.752 20 0 GHADLP CCOc1cccc2cc([C@H](C)[NH2+]C3CC[NH+](CCCC(=O)OC)CC3)oc21 ZINC000546619187 930300242 /nfs/dbraw/zinc/30/02/42/930300242.db2.gz XMALHNIALMLSTA-INIZCTEOSA-N 2 2 388.508 3.900 20 0 GHADLP C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H]1c1ccccc1 ZINC000471021456 931101191 /nfs/dbraw/zinc/10/11/91/931101191.db2.gz JKQMIEWLDSBNAO-WZONZLPQSA-N 2 2 395.572 3.867 20 0 GHADLP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H]1c1ccccc1 ZINC000471021456 931101195 /nfs/dbraw/zinc/10/11/95/931101195.db2.gz JKQMIEWLDSBNAO-WZONZLPQSA-N 2 2 395.572 3.867 20 0 GHADLP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1 ZINC000557456760 931441802 /nfs/dbraw/zinc/44/18/02/931441802.db2.gz GIDPKDLVVNETDS-FYYLOGMGSA-N 2 2 391.515 3.920 20 0 GHADLP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1 ZINC000557456760 931441804 /nfs/dbraw/zinc/44/18/04/931441804.db2.gz GIDPKDLVVNETDS-FYYLOGMGSA-N 2 2 391.515 3.920 20 0 GHADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1cccnc1)c1ccc(Cl)cc1Cl ZINC000924992606 931605519 /nfs/dbraw/zinc/60/55/19/931605519.db2.gz MNNXEMXRJUIHCS-YWZLYKJASA-N 2 2 393.362 3.703 20 0 GHADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+](Cc2ccccc2)[C@H]2CCCC2(C)C)C1 ZINC000783992746 931743383 /nfs/dbraw/zinc/74/33/83/931743383.db2.gz ZVINQPSEXOOSCB-FPOVZHCZSA-N 2 2 380.536 3.774 20 0 GHADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+](Cc2ccccc2)[C@H]2CCCC2(C)C)C1 ZINC000783992746 931743390 /nfs/dbraw/zinc/74/33/90/931743390.db2.gz ZVINQPSEXOOSCB-FPOVZHCZSA-N 2 2 380.536 3.774 20 0 GHADLP CCc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2cccnc2)cc1 ZINC000925560112 931823334 /nfs/dbraw/zinc/82/33/34/931823334.db2.gz YMZJWRPNXGUQGH-VXNXHJTFSA-N 2 2 379.548 3.701 20 0 GHADLP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000925590675 931833630 /nfs/dbraw/zinc/83/36/30/931833630.db2.gz KDFDXUFYXMVGKR-MFEFFIJZSA-N 2 2 398.526 3.602 20 0 GHADLP Cc1ccc([C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2ccccn2)cc1 ZINC000925656287 931865862 /nfs/dbraw/zinc/86/58/62/931865862.db2.gz YIESHZYFJKVVDH-QHCPKHFHSA-N 2 2 376.504 3.605 20 0 GHADLP CC[C@@H]1C[C@H](C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCO1 ZINC000558422034 931995081 /nfs/dbraw/zinc/99/50/81/931995081.db2.gz HCJULSDFMBSSAI-HZPDHXFCSA-N 2 2 396.329 3.946 20 0 GHADLP CC[C@@H]1C[C@H](C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCO1 ZINC000558422034 931995085 /nfs/dbraw/zinc/99/50/85/931995085.db2.gz HCJULSDFMBSSAI-HZPDHXFCSA-N 2 2 396.329 3.946 20 0 GHADLP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796935590 932114177 /nfs/dbraw/zinc/11/41/77/932114177.db2.gz HSYGVBVFZGKXEQ-DLBZAZTESA-N 2 2 376.545 3.766 20 0 GHADLP CC[C@@H](C[C@@](C)(O)CC)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000926527984 932217848 /nfs/dbraw/zinc/21/78/48/932217848.db2.gz MIYSJMMOHAJCPO-UGKGYDQZSA-N 2 2 375.557 3.529 20 0 GHADLP CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000926911448 932346861 /nfs/dbraw/zinc/34/68/61/932346861.db2.gz NARYCFAALSVJDV-KRWDZBQOSA-N 2 2 383.517 3.559 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000559313066 932592671 /nfs/dbraw/zinc/59/26/71/932592671.db2.gz YYPVNYBCOLASDM-MDOVXXIYSA-N 2 2 398.378 3.977 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000559313066 932592674 /nfs/dbraw/zinc/59/26/74/932592674.db2.gz YYPVNYBCOLASDM-MDOVXXIYSA-N 2 2 398.378 3.977 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000559313066 932592680 /nfs/dbraw/zinc/59/26/80/932592680.db2.gz YYPVNYBCOLASDM-MDOVXXIYSA-N 2 2 398.378 3.977 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000559313066 932592686 /nfs/dbraw/zinc/59/26/86/932592686.db2.gz YYPVNYBCOLASDM-MDOVXXIYSA-N 2 2 398.378 3.977 20 0 GHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cnc(Cl)cn2)cc1 ZINC000799152958 932890755 /nfs/dbraw/zinc/89/07/55/932890755.db2.gz XVEMSLIHFHNWHD-UHFFFAOYSA-N 2 2 385.899 3.818 20 0 GHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cnc(Cl)cn2)cc1 ZINC000799152958 932890762 /nfs/dbraw/zinc/89/07/62/932890762.db2.gz XVEMSLIHFHNWHD-UHFFFAOYSA-N 2 2 385.899 3.818 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)s1 ZINC000560482234 933282574 /nfs/dbraw/zinc/28/25/74/933282574.db2.gz PHIUOQWRUHPXCE-SFHVURJKSA-N 2 2 394.544 3.836 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)s1 ZINC000560482234 933282583 /nfs/dbraw/zinc/28/25/83/933282583.db2.gz PHIUOQWRUHPXCE-SFHVURJKSA-N 2 2 394.544 3.836 20 0 GHADLP C[N@H+](C[C@H]1CCC[C@@H](C(F)(F)F)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929794461 933637041 /nfs/dbraw/zinc/63/70/41/933637041.db2.gz HJFQPCQJJFOOCI-MOPGFXCFSA-N 2 2 385.474 3.520 20 0 GHADLP C[N@@H+](C[C@H]1CCC[C@@H](C(F)(F)F)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929794461 933637044 /nfs/dbraw/zinc/63/70/44/933637044.db2.gz HJFQPCQJJFOOCI-MOPGFXCFSA-N 2 2 385.474 3.520 20 0 GHADLP C[N@H+](C[C@H]1CCC[C@H](C(F)(F)F)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929794466 933637086 /nfs/dbraw/zinc/63/70/86/933637086.db2.gz HJFQPCQJJFOOCI-RTBURBONSA-N 2 2 385.474 3.520 20 0 GHADLP C[N@@H+](C[C@H]1CCC[C@H](C(F)(F)F)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929794466 933637091 /nfs/dbraw/zinc/63/70/91/933637091.db2.gz HJFQPCQJJFOOCI-RTBURBONSA-N 2 2 385.474 3.520 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(-c2ccccc2)o1 ZINC000929807722 933641839 /nfs/dbraw/zinc/64/18/39/933641839.db2.gz YPNLLNTYAQKRHQ-UHFFFAOYSA-N 3 2 396.579 3.970 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(-c2ccccc2)o1 ZINC000929807722 933641850 /nfs/dbraw/zinc/64/18/50/933641850.db2.gz YPNLLNTYAQKRHQ-UHFFFAOYSA-N 3 2 396.579 3.970 20 0 GHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cc(C)nnc2C)cc1 ZINC000930181286 933880483 /nfs/dbraw/zinc/88/04/83/933880483.db2.gz DOLQOBFKNGGZMH-UHFFFAOYSA-N 2 2 379.508 3.781 20 0 GHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cc(C)nnc2C)cc1 ZINC000930181286 933880494 /nfs/dbraw/zinc/88/04/94/933880494.db2.gz DOLQOBFKNGGZMH-UHFFFAOYSA-N 2 2 379.508 3.781 20 0 GHADLP CC(=O)c1ccccc1OCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000562060153 934665844 /nfs/dbraw/zinc/66/58/44/934665844.db2.gz PCBNEXIGMYKRJX-FGZHOGPDSA-N 2 2 378.516 3.722 20 0 GHADLP CC(=O)c1ccccc1OCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000562060153 934665850 /nfs/dbraw/zinc/66/58/50/934665850.db2.gz PCBNEXIGMYKRJX-FGZHOGPDSA-N 2 2 378.516 3.722 20 0 GHADLP CC(=O)c1ccccc1OCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000562060153 934665855 /nfs/dbraw/zinc/66/58/55/934665855.db2.gz PCBNEXIGMYKRJX-FGZHOGPDSA-N 2 2 378.516 3.722 20 0 GHADLP CC(=O)c1ccccc1OCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000562060153 934665860 /nfs/dbraw/zinc/66/58/60/934665860.db2.gz PCBNEXIGMYKRJX-FGZHOGPDSA-N 2 2 378.516 3.722 20 0 GHADLP COc1ccccc1-c1ncc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cn1 ZINC000562386393 934845959 /nfs/dbraw/zinc/84/59/59/934845959.db2.gz QUHYFYBIIOXZPO-UHFFFAOYSA-N 2 2 390.487 3.899 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)c2C)cc1 ZINC000468410287 1015680165 /nfs/dbraw/zinc/68/01/65/1015680165.db2.gz XRTVDUDYDPXDLT-UHFFFAOYSA-N 2 2 379.508 3.660 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCc2sccc2C1 ZINC000468501925 1015758156 /nfs/dbraw/zinc/75/81/56/1015758156.db2.gz OGSIPDOLBHNAEL-GHTZIAJQSA-N 2 2 397.588 3.666 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCc2sccc2C1 ZINC000468501925 1015758161 /nfs/dbraw/zinc/75/81/61/1015758161.db2.gz OGSIPDOLBHNAEL-GHTZIAJQSA-N 2 2 397.588 3.666 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000468501925 1015758165 /nfs/dbraw/zinc/75/81/65/1015758165.db2.gz OGSIPDOLBHNAEL-GHTZIAJQSA-N 2 2 397.588 3.666 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000468501925 1015758169 /nfs/dbraw/zinc/75/81/69/1015758169.db2.gz OGSIPDOLBHNAEL-GHTZIAJQSA-N 2 2 397.588 3.666 20 0 GHADLP CC[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000545403771 1015846077 /nfs/dbraw/zinc/84/60/77/1015846077.db2.gz PHCKMCDNKJVXFM-HSZRJFAPSA-N 2 2 388.515 3.668 20 0 GHADLP CC[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000545403771 1015846083 /nfs/dbraw/zinc/84/60/83/1015846083.db2.gz PHCKMCDNKJVXFM-HSZRJFAPSA-N 2 2 388.515 3.668 20 0 GHADLP O=C(N[C@H](CC1CC[NH2+]CC1)c1ccccc1F)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001221205044 1032329609 /nfs/dbraw/zinc/32/96/09/1032329609.db2.gz ORKCDYQNFHURHW-PKTZIBPZSA-N 2 2 395.522 3.647 20 0 GHADLP O=C(N[C@H](CC1CC[NH2+]CC1)c1ccccc1F)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001221205044 1032329617 /nfs/dbraw/zinc/32/96/17/1032329617.db2.gz ORKCDYQNFHURHW-PKTZIBPZSA-N 2 2 395.522 3.647 20 0 GHADLP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001155684828 1032639272 /nfs/dbraw/zinc/63/92/72/1032639272.db2.gz OFKZFJOESKGRCF-LJQANCHMSA-N 2 2 396.510 3.536 20 0 GHADLP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001155684828 1032639276 /nfs/dbraw/zinc/63/92/76/1032639276.db2.gz OFKZFJOESKGRCF-LJQANCHMSA-N 2 2 396.510 3.536 20 0 GHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000558566556 1017230268 /nfs/dbraw/zinc/23/02/68/1017230268.db2.gz PWUOANPXUDGLKZ-AEFFLSMTSA-N 2 2 384.467 3.740 20 0 GHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000558566556 1017230276 /nfs/dbraw/zinc/23/02/76/1017230276.db2.gz PWUOANPXUDGLKZ-AEFFLSMTSA-N 2 2 384.467 3.740 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)cs2)cc1OC ZINC000559542471 1017466409 /nfs/dbraw/zinc/46/64/09/1017466409.db2.gz VKLRMARGDKNQBN-INIZCTEOSA-N 2 2 398.532 3.940 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)cs2)cc1OC ZINC000559542471 1017466414 /nfs/dbraw/zinc/46/64/14/1017466414.db2.gz VKLRMARGDKNQBN-INIZCTEOSA-N 2 2 398.532 3.940 20 0 GHADLP Cc1[nH]c2ccccc2c1C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001204290678 1032730996 /nfs/dbraw/zinc/73/09/96/1032730996.db2.gz AXAVSXUCOBKQNA-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP Cc1[nH]c2ccccc2c1C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001204290678 1032731007 /nfs/dbraw/zinc/73/10/07/1032731007.db2.gz AXAVSXUCOBKQNA-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000563331014 1018904662 /nfs/dbraw/zinc/90/46/62/1018904662.db2.gz ZANJTFBIJVIYJC-OAQYLSRUSA-N 2 2 397.588 3.523 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000563331014 1018904665 /nfs/dbraw/zinc/90/46/65/1018904665.db2.gz ZANJTFBIJVIYJC-OAQYLSRUSA-N 2 2 397.588 3.523 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cc4cccnc4o3)CC2)cc1 ZINC000568473112 1019411026 /nfs/dbraw/zinc/41/10/26/1019411026.db2.gz AIXITIIISPHQDA-UHFFFAOYSA-N 2 2 378.476 3.540 20 0 GHADLP FC(F)Oc1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001204420976 1032851741 /nfs/dbraw/zinc/85/17/41/1032851741.db2.gz IXUHEOGMUJBUIA-AZUAARDMSA-N 2 2 380.479 3.611 20 0 GHADLP FC(F)Oc1ccc(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001204420976 1032851754 /nfs/dbraw/zinc/85/17/54/1032851754.db2.gz IXUHEOGMUJBUIA-AZUAARDMSA-N 2 2 380.479 3.611 20 0 GHADLP FC(F)Oc1ccc(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001204420976 1032851761 /nfs/dbraw/zinc/85/17/61/1032851761.db2.gz IXUHEOGMUJBUIA-AZUAARDMSA-N 2 2 380.479 3.611 20 0 GHADLP FC(F)Oc1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001204420976 1032851778 /nfs/dbraw/zinc/85/17/78/1032851778.db2.gz IXUHEOGMUJBUIA-AZUAARDMSA-N 2 2 380.479 3.611 20 0 GHADLP CC1(C)C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC001204514743 1032941933 /nfs/dbraw/zinc/94/19/33/1032941933.db2.gz BSMWPRWUELCKJI-HSZRJFAPSA-N 2 2 380.532 3.981 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC001204514743 1032941945 /nfs/dbraw/zinc/94/19/45/1032941945.db2.gz BSMWPRWUELCKJI-HSZRJFAPSA-N 2 2 380.532 3.981 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]CCn2cc[nH+]c2C)cs1)c1cccc(Cl)c1 ZINC000638456848 1021043198 /nfs/dbraw/zinc/04/31/98/1021043198.db2.gz GVTMNZKEXZTKRA-UHFFFAOYSA-N 2 2 389.912 3.776 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(-c4nccs4)c3)CC2)C1 ZINC001140340256 1021449041 /nfs/dbraw/zinc/44/90/41/1021449041.db2.gz TWMQFPYGSXVZCJ-LJQANCHMSA-N 2 2 399.560 3.660 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(-c4nccs4)c3)CC2)C1 ZINC001140340256 1021449048 /nfs/dbraw/zinc/44/90/48/1021449048.db2.gz TWMQFPYGSXVZCJ-LJQANCHMSA-N 2 2 399.560 3.660 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4nc(Cl)ccc43)CC2)cc1 ZINC000834885869 1021615372 /nfs/dbraw/zinc/61/53/72/1021615372.db2.gz GBVDPDBQUCILGM-HXUWFJFHSA-N 2 2 398.938 3.935 20 0 GHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903896100 1021648735 /nfs/dbraw/zinc/64/87/35/1021648735.db2.gz SEZXPMWACHZYDG-WMZOPIPTSA-N 2 2 396.564 3.828 20 0 GHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903896100 1021648737 /nfs/dbraw/zinc/64/87/37/1021648737.db2.gz SEZXPMWACHZYDG-WMZOPIPTSA-N 2 2 396.564 3.828 20 0 GHADLP c1csc(-c2ccccc2C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)n1 ZINC001140450252 1021738123 /nfs/dbraw/zinc/73/81/23/1021738123.db2.gz MQXQGICEOTVLAV-WOJBJXKFSA-N 2 2 376.529 3.769 20 0 GHADLP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000749110910 1021749358 /nfs/dbraw/zinc/74/93/58/1021749358.db2.gz TWONVTJSWZYUDW-UHFFFAOYSA-N 2 2 391.427 3.704 20 0 GHADLP CN(C(=O)C[C@@H]1CCc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677289780 1021812772 /nfs/dbraw/zinc/81/27/72/1021812772.db2.gz DHKZQMBMAMHSLE-ZTCOLXNVSA-N 2 2 397.607 3.902 20 0 GHADLP CN(C(=O)C[C@@H]1CCc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677289780 1021812793 /nfs/dbraw/zinc/81/27/93/1021812793.db2.gz DHKZQMBMAMHSLE-ZTCOLXNVSA-N 2 2 397.607 3.902 20 0 GHADLP C[C@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000835288517 1022007117 /nfs/dbraw/zinc/00/71/17/1022007117.db2.gz ZASWZNXSXOPHAU-CVDCTZTESA-N 2 2 389.499 3.999 20 0 GHADLP C[C@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000835288517 1022007135 /nfs/dbraw/zinc/00/71/35/1022007135.db2.gz ZASWZNXSXOPHAU-CVDCTZTESA-N 2 2 389.499 3.999 20 0 GHADLP CCCCC1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000681212758 1022268696 /nfs/dbraw/zinc/26/86/96/1022268696.db2.gz ZPZACRCTDRBMGT-GRERDSQWSA-N 2 2 378.605 3.545 20 0 GHADLP CCCCC1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000681212758 1022268701 /nfs/dbraw/zinc/26/87/01/1022268701.db2.gz ZPZACRCTDRBMGT-GRERDSQWSA-N 2 2 378.605 3.545 20 0 GHADLP CCC1(CC)CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000682729987 1022370152 /nfs/dbraw/zinc/37/01/52/1022370152.db2.gz ZNBNWRDUDWZTIE-HXUWFJFHSA-N 2 2 378.605 3.545 20 0 GHADLP CCC1(CC)CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000682729987 1022370173 /nfs/dbraw/zinc/37/01/73/1022370173.db2.gz ZNBNWRDUDWZTIE-HXUWFJFHSA-N 2 2 378.605 3.545 20 0 GHADLP Fc1ccc(CN2CCOCC23CC[NH+](Cc2c[nH]c4cc[nH+]cc24)CC3)cc1 ZINC001140801674 1022569585 /nfs/dbraw/zinc/56/95/85/1022569585.db2.gz VXUMCKNHUHQMSN-UHFFFAOYSA-N 2 2 394.494 3.569 20 0 GHADLP C[C@H]([NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754479128 1022729350 /nfs/dbraw/zinc/72/93/50/1022729350.db2.gz WBSRUYSQPOHJSA-NWDGAFQWSA-N 2 2 378.870 3.835 20 0 GHADLP C[C@H]([NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754479128 1022729363 /nfs/dbraw/zinc/72/93/63/1022729363.db2.gz WBSRUYSQPOHJSA-NWDGAFQWSA-N 2 2 378.870 3.835 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)C1 ZINC001204817818 1033105325 /nfs/dbraw/zinc/10/53/25/1033105325.db2.gz NPTSJCQBTGSKFF-QGZVFWFLSA-N 2 2 396.478 3.528 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)C1 ZINC001204817818 1033105334 /nfs/dbraw/zinc/10/53/34/1033105334.db2.gz NPTSJCQBTGSKFF-QGZVFWFLSA-N 2 2 396.478 3.528 20 0 GHADLP c1cc(-c2ccccn2)sc1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001140999676 1023136128 /nfs/dbraw/zinc/13/61/28/1023136128.db2.gz CVSZNDMARZWDIA-RTBURBONSA-N 2 2 376.529 3.769 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@H+](Cn3ncn(-c4cccc(Cl)c4)c3=S)C2)CC1 ZINC000755776274 1023371480 /nfs/dbraw/zinc/37/14/80/1023371480.db2.gz ZQNGVWLWLJSOJL-INIZCTEOSA-N 2 2 391.972 3.678 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3ncn(-c4cccc(Cl)c4)c3=S)C2)CC1 ZINC000755776274 1023371486 /nfs/dbraw/zinc/37/14/86/1023371486.db2.gz ZQNGVWLWLJSOJL-INIZCTEOSA-N 2 2 391.972 3.678 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1cccc(C(C)(C)C)c1)CCC2 ZINC001141104001 1023504288 /nfs/dbraw/zinc/50/42/88/1023504288.db2.gz XMEORNDMLSFWNN-UHFFFAOYSA-N 2 2 396.579 3.787 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1cccc(C(C)(C)C)c1)CCC2 ZINC001141104001 1023504299 /nfs/dbraw/zinc/50/42/99/1023504299.db2.gz XMEORNDMLSFWNN-UHFFFAOYSA-N 2 2 396.579 3.787 20 0 GHADLP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1cccc(C(C)(C)C)c1)CCC2 ZINC001141104001 1023504310 /nfs/dbraw/zinc/50/43/10/1023504310.db2.gz XMEORNDMLSFWNN-UHFFFAOYSA-N 2 2 396.579 3.787 20 0 GHADLP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](Cc1cccc(C(C)(C)C)c1)CCC2 ZINC001141104001 1023504316 /nfs/dbraw/zinc/50/43/16/1023504316.db2.gz XMEORNDMLSFWNN-UHFFFAOYSA-N 2 2 396.579 3.787 20 0 GHADLP CN(C(=O)c1ccc(CF)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831164591 1024395453 /nfs/dbraw/zinc/39/54/53/1024395453.db2.gz LHLFXZSUZTWTMM-SFTDATJTSA-N 2 2 375.532 3.565 20 0 GHADLP CN(C(=O)c1ccc(CF)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831164591 1024395471 /nfs/dbraw/zinc/39/54/71/1024395471.db2.gz LHLFXZSUZTWTMM-SFTDATJTSA-N 2 2 375.532 3.565 20 0 GHADLP CC(C)[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCCC1 ZINC001141292960 1024424242 /nfs/dbraw/zinc/42/42/42/1024424242.db2.gz DTZGQIOZZWVAJB-NRFANRHFSA-N 2 2 391.987 3.885 20 0 GHADLP CC(C)[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCCC1 ZINC001141292960 1024424252 /nfs/dbraw/zinc/42/42/52/1024424252.db2.gz DTZGQIOZZWVAJB-NRFANRHFSA-N 2 2 391.987 3.885 20 0 GHADLP Cc1ccc2[nH]c(C[N@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)cc2c1 ZINC001138418168 1024806345 /nfs/dbraw/zinc/80/63/45/1024806345.db2.gz OHOJXZMWSVJPHT-UHFFFAOYSA-N 2 2 377.536 3.717 20 0 GHADLP Cc1ccc2[nH]c(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)cc2c1 ZINC001138418168 1024806363 /nfs/dbraw/zinc/80/63/63/1024806363.db2.gz OHOJXZMWSVJPHT-UHFFFAOYSA-N 2 2 377.536 3.717 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001138449839 1024874374 /nfs/dbraw/zinc/87/43/74/1024874374.db2.gz AOXOTHKKVZYMLU-XZOQPEGZSA-N 2 2 394.563 3.708 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001138449839 1024874387 /nfs/dbraw/zinc/87/43/87/1024874387.db2.gz AOXOTHKKVZYMLU-XZOQPEGZSA-N 2 2 394.563 3.708 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001138449839 1024874408 /nfs/dbraw/zinc/87/44/08/1024874408.db2.gz AOXOTHKKVZYMLU-XZOQPEGZSA-N 2 2 394.563 3.708 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001138449839 1024874414 /nfs/dbraw/zinc/87/44/14/1024874414.db2.gz AOXOTHKKVZYMLU-XZOQPEGZSA-N 2 2 394.563 3.708 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001138548485 1024996365 /nfs/dbraw/zinc/99/63/65/1024996365.db2.gz FJQSIPBUQREUCF-MOPGFXCFSA-N 2 2 388.487 3.618 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001138548485 1024996366 /nfs/dbraw/zinc/99/63/66/1024996366.db2.gz FJQSIPBUQREUCF-MOPGFXCFSA-N 2 2 388.487 3.618 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(-n4cnc5ccccc54)cc3)CC2)c1 ZINC001138583990 1025064438 /nfs/dbraw/zinc/06/44/38/1025064438.db2.gz GXUFJVMTLKSQKQ-UHFFFAOYSA-N 2 2 399.498 3.751 20 0 GHADLP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2Cc3cccc(C)c3C2)c1C ZINC001141564771 1025563363 /nfs/dbraw/zinc/56/33/63/1025563363.db2.gz LODJIYVUDOTVNR-UHFFFAOYSA-N 2 2 382.552 3.527 20 0 GHADLP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2Cc3cccc(C)c3C2)c1C ZINC001141564771 1025563376 /nfs/dbraw/zinc/56/33/76/1025563376.db2.gz LODJIYVUDOTVNR-UHFFFAOYSA-N 2 2 382.552 3.527 20 0 GHADLP COc1cc(C)c[nH+]c1N1CCC([NH3+])(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001162057158 1025573522 /nfs/dbraw/zinc/57/35/22/1025573522.db2.gz YMYDYYBXJFWCDB-UHFFFAOYSA-N 2 2 379.426 3.958 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC001139065913 1025863488 /nfs/dbraw/zinc/86/34/88/1025863488.db2.gz ULXAUCLDPBCJJS-SFHVURJKSA-N 2 2 399.535 3.996 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC001139065913 1025863511 /nfs/dbraw/zinc/86/35/11/1025863511.db2.gz ULXAUCLDPBCJJS-SFHVURJKSA-N 2 2 399.535 3.996 20 0 GHADLP CCOC(=O)COc1ccccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139136360 1025949424 /nfs/dbraw/zinc/94/94/24/1025949424.db2.gz WGMFDWMXEWBEGN-NRFANRHFSA-N 2 2 396.531 3.582 20 0 GHADLP CCOC(=O)COc1ccccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139136360 1025949431 /nfs/dbraw/zinc/94/94/31/1025949431.db2.gz WGMFDWMXEWBEGN-NRFANRHFSA-N 2 2 396.531 3.582 20 0 GHADLP CCOC(=O)COc1ccccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001139136360 1025949440 /nfs/dbraw/zinc/94/94/40/1025949440.db2.gz WGMFDWMXEWBEGN-NRFANRHFSA-N 2 2 396.531 3.582 20 0 GHADLP CCOC(=O)COc1ccccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139136360 1025949447 /nfs/dbraw/zinc/94/94/47/1025949447.db2.gz WGMFDWMXEWBEGN-NRFANRHFSA-N 2 2 396.531 3.582 20 0 GHADLP COc1cc(O)ccc1C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001139139890 1025953356 /nfs/dbraw/zinc/95/33/56/1025953356.db2.gz DGLAWPXTKVKDBI-UHFFFAOYSA-N 2 2 383.879 3.925 20 0 GHADLP COc1ccc(OC)c2c1C[N@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C[C@H]2O ZINC000839464132 1025953350 /nfs/dbraw/zinc/95/33/50/1025953350.db2.gz HCYKRFQASXRAEI-OAQYLSRUSA-N 2 2 396.531 3.739 20 0 GHADLP COc1ccc(OC)c2c1C[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C[C@H]2O ZINC000839464132 1025953354 /nfs/dbraw/zinc/95/33/54/1025953354.db2.gz HCYKRFQASXRAEI-OAQYLSRUSA-N 2 2 396.531 3.739 20 0 GHADLP COc1cc(O)ccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001139140710 1025954493 /nfs/dbraw/zinc/95/44/93/1025954493.db2.gz PIVRLCIMTAZKPH-WTOYTKOKSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)ccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001139140710 1025954500 /nfs/dbraw/zinc/95/45/00/1025954500.db2.gz PIVRLCIMTAZKPH-WTOYTKOKSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)ccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001139140710 1025954506 /nfs/dbraw/zinc/95/45/06/1025954506.db2.gz PIVRLCIMTAZKPH-WTOYTKOKSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)ccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001139140710 1025954508 /nfs/dbraw/zinc/95/45/08/1025954508.db2.gz PIVRLCIMTAZKPH-WTOYTKOKSA-N 2 2 381.520 3.528 20 0 GHADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC001139165266 1025987180 /nfs/dbraw/zinc/98/71/80/1025987180.db2.gz JSNSBMFEFJQTRE-UHFFFAOYSA-N 2 2 382.335 3.933 20 0 GHADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC001139165266 1025987198 /nfs/dbraw/zinc/98/71/98/1025987198.db2.gz JSNSBMFEFJQTRE-UHFFFAOYSA-N 2 2 382.335 3.933 20 0 GHADLP COc1ccc2cc(C[NH+]3CCN(c4cc[nH+]cc4C)CC3)c(Cl)nc2c1 ZINC001139310130 1026165074 /nfs/dbraw/zinc/16/50/74/1026165074.db2.gz TUDMJVXBHVJVQA-UHFFFAOYSA-N 2 2 382.895 3.922 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139356808 1026229589 /nfs/dbraw/zinc/22/95/89/1026229589.db2.gz TYIXSLJPCJULNJ-JOCHJYFZSA-N 2 2 382.508 3.848 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139356808 1026229595 /nfs/dbraw/zinc/22/95/95/1026229595.db2.gz TYIXSLJPCJULNJ-JOCHJYFZSA-N 2 2 382.508 3.848 20 0 GHADLP C[C@@H]1CN(c2ccc(C[N@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)cn2)C[C@H](C)O1 ZINC001139390242 1026257387 /nfs/dbraw/zinc/25/73/87/1026257387.db2.gz OILDRXRVINHAHF-KDURUIRLSA-N 2 2 391.519 3.513 20 0 GHADLP C[C@@H]1CN(c2ccc(C[N@@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)cn2)C[C@H](C)O1 ZINC001139390242 1026257395 /nfs/dbraw/zinc/25/73/95/1026257395.db2.gz OILDRXRVINHAHF-KDURUIRLSA-N 2 2 391.519 3.513 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001139398978 1026268297 /nfs/dbraw/zinc/26/82/97/1026268297.db2.gz PBAHPXOCJVWCFF-KDURUIRLSA-N 2 2 389.499 3.518 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001139398978 1026268319 /nfs/dbraw/zinc/26/83/19/1026268319.db2.gz PBAHPXOCJVWCFF-KDURUIRLSA-N 2 2 389.499 3.518 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001139398978 1026268334 /nfs/dbraw/zinc/26/83/34/1026268334.db2.gz PBAHPXOCJVWCFF-KDURUIRLSA-N 2 2 389.499 3.518 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001139398978 1026268350 /nfs/dbraw/zinc/26/83/50/1026268350.db2.gz PBAHPXOCJVWCFF-KDURUIRLSA-N 2 2 389.499 3.518 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001139398979 1026269225 /nfs/dbraw/zinc/26/92/25/1026269225.db2.gz PBAHPXOCJVWCFF-OALUTQOASA-N 2 2 389.499 3.518 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001139398980 1026269505 /nfs/dbraw/zinc/26/95/05/1026269505.db2.gz PBAHPXOCJVWCFF-RTBURBONSA-N 2 2 389.499 3.518 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1ccc(-c3ccccc3)s1)CC2 ZINC001139412949 1026286311 /nfs/dbraw/zinc/28/63/11/1026286311.db2.gz RPOGBEGKDPRWPW-UHFFFAOYSA-N 2 2 383.561 3.592 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1ccc(-c3ccccc3)s1)CC2 ZINC001139412949 1026286321 /nfs/dbraw/zinc/28/63/21/1026286321.db2.gz RPOGBEGKDPRWPW-UHFFFAOYSA-N 2 2 383.561 3.592 20 0 GHADLP CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139512868 1026368085 /nfs/dbraw/zinc/36/80/85/1026368085.db2.gz JOMSZZUVDHUNAJ-DEOSSOPVSA-N 2 2 391.559 3.952 20 0 GHADLP CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139512868 1026368092 /nfs/dbraw/zinc/36/80/92/1026368092.db2.gz JOMSZZUVDHUNAJ-DEOSSOPVSA-N 2 2 391.559 3.952 20 0 GHADLP C[N@H+](Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001139515458 1026371141 /nfs/dbraw/zinc/37/11/41/1026371141.db2.gz OAIPGZNSTGGTCI-UHFFFAOYSA-N 3 2 392.591 3.535 20 0 GHADLP C[N@@H+](Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001139515458 1026371149 /nfs/dbraw/zinc/37/11/49/1026371149.db2.gz OAIPGZNSTGGTCI-UHFFFAOYSA-N 3 2 392.591 3.535 20 0 GHADLP O=C1N(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)[C@H](c2cccnc2)C12CCC2 ZINC000839962980 1026377488 /nfs/dbraw/zinc/37/74/88/1026377488.db2.gz GDKYBIBOWFQJOT-JOCHJYFZSA-N 2 2 396.579 3.681 20 0 GHADLP C[N@@H+]1CCC[C@H]1CSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC001164470392 1026519220 /nfs/dbraw/zinc/51/92/20/1026519220.db2.gz SBGRQILPKQEIIQ-KRWDZBQOSA-N 2 2 391.972 3.703 20 0 GHADLP C[N@H+]1CCC[C@H]1CSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC001164470392 1026519227 /nfs/dbraw/zinc/51/92/27/1026519227.db2.gz SBGRQILPKQEIIQ-KRWDZBQOSA-N 2 2 391.972 3.703 20 0 GHADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)nn2)c1C ZINC001164486494 1026527090 /nfs/dbraw/zinc/52/70/90/1026527090.db2.gz OSXGXJXTFWWVIE-QHAWAJNXSA-N 2 2 388.519 3.602 20 0 GHADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)nn2)c1C ZINC001164486494 1026527094 /nfs/dbraw/zinc/52/70/94/1026527094.db2.gz OSXGXJXTFWWVIE-QHAWAJNXSA-N 2 2 388.519 3.602 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cn4ccncc4n3)C[C@H]21 ZINC001139695864 1026544783 /nfs/dbraw/zinc/54/47/83/1026544783.db2.gz ZFNBUOFIRDCACD-PWIZWCRZSA-N 2 2 381.549 3.523 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cn4ccncc4n3)C[C@H]21 ZINC001139695864 1026544790 /nfs/dbraw/zinc/54/47/90/1026544790.db2.gz ZFNBUOFIRDCACD-PWIZWCRZSA-N 2 2 381.549 3.523 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cn4ccncc4n3)C[C@H]21 ZINC001139695864 1026544799 /nfs/dbraw/zinc/54/47/99/1026544799.db2.gz ZFNBUOFIRDCACD-PWIZWCRZSA-N 2 2 381.549 3.523 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cn4ccncc4n3)C[C@H]21 ZINC001139695864 1026544807 /nfs/dbraw/zinc/54/48/07/1026544807.db2.gz ZFNBUOFIRDCACD-PWIZWCRZSA-N 2 2 381.549 3.523 20 0 GHADLP F[C@H]1CCC2(C1)CC[NH+](Cc1cccc(OCC[NH+]3CCOCC3)c1)CC2 ZINC001139763775 1026602437 /nfs/dbraw/zinc/60/24/37/1026602437.db2.gz CWUUBADAOCJATN-FQEVSTJZSA-N 2 2 376.516 3.502 20 0 GHADLP COc1cc2[nH+]c(N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)ccc2c(OC)c1 ZINC001165420991 1026723769 /nfs/dbraw/zinc/72/37/69/1026723769.db2.gz DZFNJMPQJMUKOL-YKSBVNFPSA-N 2 2 389.499 3.836 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001140026096 1026813161 /nfs/dbraw/zinc/81/31/61/1026813161.db2.gz VBNTZCLEMMUYPU-QFIPXVFZSA-N 2 2 392.528 3.871 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001140026096 1026813167 /nfs/dbraw/zinc/81/31/67/1026813167.db2.gz VBNTZCLEMMUYPU-QFIPXVFZSA-N 2 2 392.528 3.871 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001140025890 1026813324 /nfs/dbraw/zinc/81/33/24/1026813324.db2.gz FWHUQIXTYZRQQF-UYAOXDASSA-N 2 2 396.535 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001140025890 1026813335 /nfs/dbraw/zinc/81/33/35/1026813335.db2.gz FWHUQIXTYZRQQF-UYAOXDASSA-N 2 2 396.535 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001140026333 1026814949 /nfs/dbraw/zinc/81/49/49/1026814949.db2.gz KOIGWQGKLIEBRT-SFHVURJKSA-N 2 2 384.524 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001140026333 1026814962 /nfs/dbraw/zinc/81/49/62/1026814962.db2.gz KOIGWQGKLIEBRT-SFHVURJKSA-N 2 2 384.524 3.870 20 0 GHADLP CCc1[nH]c(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)c(C)[nH+]1 ZINC001203238936 1027242968 /nfs/dbraw/zinc/24/29/68/1027242968.db2.gz SICWBRUDXFBHOQ-UHFFFAOYSA-N 2 2 386.565 3.860 20 0 GHADLP COc1cccc(CC[NH+]2CCCC2)c1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209929261 1027280887 /nfs/dbraw/zinc/28/08/87/1027280887.db2.gz PCRUBEDYLRRUMK-UHFFFAOYSA-N 2 2 395.547 3.909 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3coc4ccc(F)cc34)CC[C@@H]21 ZINC001141851056 1027439763 /nfs/dbraw/zinc/43/97/63/1027439763.db2.gz CFFYCWFDZDVBQR-PBEJRMEISA-N 2 2 397.498 3.537 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3coc4ccc(F)cc34)CC[C@@H]21 ZINC001141851056 1027439765 /nfs/dbraw/zinc/43/97/65/1027439765.db2.gz CFFYCWFDZDVBQR-PBEJRMEISA-N 2 2 397.498 3.537 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3coc4ccc(F)cc34)CC[C@@H]21 ZINC001141851056 1027439767 /nfs/dbraw/zinc/43/97/67/1027439767.db2.gz CFFYCWFDZDVBQR-PBEJRMEISA-N 2 2 397.498 3.537 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3coc4ccc(F)cc34)CC[C@@H]21 ZINC001141851056 1027439772 /nfs/dbraw/zinc/43/97/72/1027439772.db2.gz CFFYCWFDZDVBQR-PBEJRMEISA-N 2 2 397.498 3.537 20 0 GHADLP CC[NH+]1CCC(CC[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)CC1 ZINC001461250693 1069461659 /nfs/dbraw/zinc/46/16/59/1069461659.db2.gz GHUBEPIDGTWRBK-UHFFFAOYSA-N 3 2 390.959 3.827 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3c(OC)ccc4ccccc43)CC2)C1 ZINC001203991231 1027788490 /nfs/dbraw/zinc/78/84/90/1027788490.db2.gz OBNNUMISMCFOCK-IBGZPJMESA-N 2 2 396.531 3.698 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c(OC)ccc4ccccc43)CC2)C1 ZINC001203991231 1027788510 /nfs/dbraw/zinc/78/85/10/1027788510.db2.gz OBNNUMISMCFOCK-IBGZPJMESA-N 2 2 396.531 3.698 20 0 GHADLP CCCCOC(=O)N1CCN(c2[nH+]cccc2Nc2cccc(C[NH2+]C)c2)CC1 ZINC001211137825 1027804591 /nfs/dbraw/zinc/80/45/91/1027804591.db2.gz SQHNMZPPIYGWAJ-UHFFFAOYSA-N 2 2 397.523 3.603 20 0 GHADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc5c(c4)OCCCO5)C[C@@H]3C2)cc1 ZINC001142258726 1028508839 /nfs/dbraw/zinc/50/88/39/1028508839.db2.gz WHBUNMFNFZVNQW-SZPZYZBQSA-N 2 2 378.516 3.720 20 0 GHADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc5c(c4)OCCCO5)C[C@@H]3C2)cc1 ZINC001142258726 1028508840 /nfs/dbraw/zinc/50/88/40/1028508840.db2.gz WHBUNMFNFZVNQW-SZPZYZBQSA-N 2 2 378.516 3.720 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc5c(c4)OCCCO5)C[C@@H]3C2)cc1 ZINC001142258726 1028508842 /nfs/dbraw/zinc/50/88/42/1028508842.db2.gz WHBUNMFNFZVNQW-SZPZYZBQSA-N 2 2 378.516 3.720 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc5c(c4)OCCCO5)C[C@@H]3C2)cc1 ZINC001142258726 1028508845 /nfs/dbraw/zinc/50/88/45/1028508845.db2.gz WHBUNMFNFZVNQW-SZPZYZBQSA-N 2 2 378.516 3.720 20 0 GHADLP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC001461432747 1069547142 /nfs/dbraw/zinc/54/71/42/1069547142.db2.gz SFYTXGVVMNODOV-LJQANCHMSA-N 2 2 385.558 3.728 20 0 GHADLP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC001461432747 1069547146 /nfs/dbraw/zinc/54/71/46/1069547146.db2.gz SFYTXGVVMNODOV-LJQANCHMSA-N 2 2 385.558 3.728 20 0 GHADLP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC001461487017 1069573148 /nfs/dbraw/zinc/57/31/48/1069573148.db2.gz HZANVODPJAPXTC-UHFFFAOYSA-N 2 2 393.510 3.928 20 0 GHADLP COc1cc2c(cc1NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C)oc1ccccc12 ZINC000842475960 1029313162 /nfs/dbraw/zinc/31/31/62/1029313162.db2.gz ZBLVTLLFUKXYCJ-FQEVSTJZSA-N 2 2 381.476 3.511 20 0 GHADLP Clc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cs1 ZINC001142769249 1029406277 /nfs/dbraw/zinc/40/62/77/1029406277.db2.gz QOTINXXDDHGSAJ-QZTJIDSGSA-N 2 2 377.941 3.519 20 0 GHADLP Clc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cs1 ZINC001142769249 1029406288 /nfs/dbraw/zinc/40/62/88/1029406288.db2.gz QOTINXXDDHGSAJ-QZTJIDSGSA-N 2 2 377.941 3.519 20 0 GHADLP Clc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cs1 ZINC001142769249 1029406294 /nfs/dbraw/zinc/40/62/94/1029406294.db2.gz QOTINXXDDHGSAJ-QZTJIDSGSA-N 2 2 377.941 3.519 20 0 GHADLP Clc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cs1 ZINC001142769249 1029406302 /nfs/dbraw/zinc/40/63/02/1029406302.db2.gz QOTINXXDDHGSAJ-QZTJIDSGSA-N 2 2 377.941 3.519 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1)n1cc[nH+]c1 ZINC001142900861 1029660801 /nfs/dbraw/zinc/66/08/01/1029660801.db2.gz QZXGARAQSFHWJM-VSKRKVRLSA-N 2 2 380.536 3.738 20 0 GHADLP CCN1CC[NH+](Cc2ccc(Nc3c[nH+]cn3Cc3ccccc3)cc2)CC1 ZINC001216553490 1029684027 /nfs/dbraw/zinc/68/40/27/1029684027.db2.gz CRIYIADXZFEGSS-UHFFFAOYSA-N 2 2 375.520 3.813 20 0 GHADLP CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)C1CC1 ZINC001461588363 1069625078 /nfs/dbraw/zinc/62/50/78/1069625078.db2.gz ZTMLTAPWXFBYHL-YWZLYKJASA-N 2 2 377.916 3.909 20 0 GHADLP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1ccc(Cl)c(C(C)C)c1)CC[NH2+]CC2 ZINC001222232563 1030026554 /nfs/dbraw/zinc/02/65/54/1030026554.db2.gz WFNLDJFNWUKJFJ-LJQANCHMSA-N 2 2 378.944 3.971 20 0 GHADLP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccc(Cl)c(C(C)C)c1)CC[NH2+]CC2 ZINC001222232563 1030026572 /nfs/dbraw/zinc/02/65/72/1030026572.db2.gz WFNLDJFNWUKJFJ-LJQANCHMSA-N 2 2 378.944 3.971 20 0 GHADLP COc1cc(Br)c(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)cc1OC ZINC001222309682 1030063241 /nfs/dbraw/zinc/06/32/41/1030063241.db2.gz PNTHNUIHPSIENS-SFHVURJKSA-N 2 2 383.330 3.574 20 0 GHADLP COc1cc(Br)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1OC ZINC001222309682 1030063247 /nfs/dbraw/zinc/06/32/47/1030063247.db2.gz PNTHNUIHPSIENS-SFHVURJKSA-N 2 2 383.330 3.574 20 0 GHADLP Cc1cc(-c2noc(-c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)n2)cc(C)n1 ZINC001217116465 1030177390 /nfs/dbraw/zinc/17/73/90/1030177390.db2.gz NEKGZPDEGSAZSB-UHFFFAOYSA-N 2 2 379.508 3.799 20 0 GHADLP Cc1cc(-c2noc(-c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)n2)cc(C)n1 ZINC001217116465 1030177398 /nfs/dbraw/zinc/17/73/98/1030177398.db2.gz NEKGZPDEGSAZSB-UHFFFAOYSA-N 2 2 379.508 3.799 20 0 GHADLP c1[nH+]cn2c1cccc2C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222596474 1030222355 /nfs/dbraw/zinc/22/23/55/1030222355.db2.gz WQEDDUYZFIXHDC-HSZRJFAPSA-N 3 2 390.531 3.638 20 0 GHADLP c1[nH+]cn2c1cccc2C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222596474 1030222367 /nfs/dbraw/zinc/22/23/67/1030222367.db2.gz WQEDDUYZFIXHDC-HSZRJFAPSA-N 3 2 390.531 3.638 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC001223934714 1030816809 /nfs/dbraw/zinc/81/68/09/1030816809.db2.gz FTZNHOJDRCOMSW-QGZVFWFLSA-N 2 2 389.588 3.790 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H](C(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1)c1ccccc1 ZINC001218712645 1031045793 /nfs/dbraw/zinc/04/57/93/1031045793.db2.gz OMCCCDMWFMAJEG-UGKGYDQZSA-N 2 2 390.487 3.911 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H](C(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1)c1ccccc1 ZINC001218712645 1031045811 /nfs/dbraw/zinc/04/58/11/1031045811.db2.gz OMCCCDMWFMAJEG-UGKGYDQZSA-N 2 2 390.487 3.911 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CCC[C@@H](C(F)(F)F)O3)CC2)cc1 ZINC001461733441 1069709649 /nfs/dbraw/zinc/70/96/49/1069709649.db2.gz CTNVGYMAIFFGLW-MOPGFXCFSA-N 2 2 385.474 3.811 20 0 GHADLP O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001218846863 1031112396 /nfs/dbraw/zinc/11/23/96/1031112396.db2.gz BEEYFHROJMFESF-DEOSSOPVSA-N 2 2 383.495 3.855 20 0 GHADLP O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001218846863 1031112403 /nfs/dbraw/zinc/11/24/03/1031112403.db2.gz BEEYFHROJMFESF-DEOSSOPVSA-N 2 2 383.495 3.855 20 0 GHADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001218940675 1031166519 /nfs/dbraw/zinc/16/65/19/1031166519.db2.gz GQNZJKAJBRMDPS-UHFFFAOYSA-N 2 2 393.409 3.778 20 0 GHADLP CC1(C)[NH2+][C@@H](CC[NH+]2CCC(Oc3ccccc3OC(F)(F)F)CC2)CO1 ZINC001205338935 1033368779 /nfs/dbraw/zinc/36/87/79/1033368779.db2.gz AEYZSLPYDMEUOT-AWEZNQCLSA-N 2 2 388.430 3.543 20 0 GHADLP COCCc1ncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)s1 ZINC001461849786 1069790159 /nfs/dbraw/zinc/79/01/59/1069790159.db2.gz NRYSCZUBILQRGR-QFIPXVFZSA-N 2 2 385.577 3.820 20 0 GHADLP COCCc1ncc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)s1 ZINC001461849786 1069790175 /nfs/dbraw/zinc/79/01/75/1069790175.db2.gz NRYSCZUBILQRGR-QFIPXVFZSA-N 2 2 385.577 3.820 20 0 GHADLP COCCc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)s1 ZINC001461849786 1069790191 /nfs/dbraw/zinc/79/01/91/1069790191.db2.gz NRYSCZUBILQRGR-QFIPXVFZSA-N 2 2 385.577 3.820 20 0 GHADLP COCCc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)s1 ZINC001461849786 1069790205 /nfs/dbraw/zinc/79/02/05/1069790205.db2.gz NRYSCZUBILQRGR-QFIPXVFZSA-N 2 2 385.577 3.820 20 0 GHADLP COc1ccc(SCC[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001205411464 1033399471 /nfs/dbraw/zinc/39/94/71/1033399471.db2.gz FJMPYGHHFATYJH-OAQYLSRUSA-N 2 2 386.561 3.668 20 0 GHADLP COc1ccc(SCC[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001205411464 1033399483 /nfs/dbraw/zinc/39/94/83/1033399483.db2.gz FJMPYGHHFATYJH-OAQYLSRUSA-N 2 2 386.561 3.668 20 0 GHADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Br)c(OC(F)(F)F)c1 ZINC001205913148 1033632827 /nfs/dbraw/zinc/63/28/27/1033632827.db2.gz HFWAZDWKMFPHIA-JQWIXIFHSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(Br)c(OC(F)(F)F)c1 ZINC001205913148 1033632833 /nfs/dbraw/zinc/63/28/33/1033632833.db2.gz HFWAZDWKMFPHIA-JQWIXIFHSA-N 2 2 381.236 3.907 20 0 GHADLP C[N@H+](Cc1ccccc1)C1CN(C(=O)[C@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001157527426 1033640673 /nfs/dbraw/zinc/64/06/73/1033640673.db2.gz GTZPWUQKJSEKAJ-HSZRJFAPSA-N 2 2 395.522 3.523 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1CN(C(=O)[C@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001157527426 1033640679 /nfs/dbraw/zinc/64/06/79/1033640679.db2.gz GTZPWUQKJSEKAJ-HSZRJFAPSA-N 2 2 395.522 3.523 20 0 GHADLP C[NH+](Cc1ccccc1)C1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001157527426 1033640690 /nfs/dbraw/zinc/64/06/90/1033640690.db2.gz GTZPWUQKJSEKAJ-HSZRJFAPSA-N 2 2 395.522 3.523 20 0 GHADLP C[NH+](Cc1ccccc1)C1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)C1 ZINC001157527426 1033640699 /nfs/dbraw/zinc/64/06/99/1033640699.db2.gz GTZPWUQKJSEKAJ-HSZRJFAPSA-N 2 2 395.522 3.523 20 0 GHADLP Cc1ccc([C@@H](C(=O)N2CCc3ccccc3[C@@H]2C)[NH+]2CCC([NH3+])CC2)cc1 ZINC001157702902 1033732002 /nfs/dbraw/zinc/73/20/02/1033732002.db2.gz GAARPXZSUZKWMB-MBSDFSHPSA-N 2 2 377.532 3.605 20 0 GHADLP CCC[C@H](C[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1)OC ZINC001206151797 1033743638 /nfs/dbraw/zinc/74/36/38/1033743638.db2.gz QYMJNRVKCRBELK-OAQYLSRUSA-N 2 2 379.976 3.742 20 0 GHADLP Fc1ccc([C@H]2CSCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001206717161 1033957040 /nfs/dbraw/zinc/95/70/40/1033957040.db2.gz MLJADYMCWNGSMJ-JOCHJYFZSA-N 2 2 386.536 3.948 20 0 GHADLP Fc1ccc([C@H]2CSCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001206717161 1033957042 /nfs/dbraw/zinc/95/70/42/1033957042.db2.gz MLJADYMCWNGSMJ-JOCHJYFZSA-N 2 2 386.536 3.948 20 0 GHADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)CC[C@H]21 ZINC001207175134 1034145497 /nfs/dbraw/zinc/14/54/97/1034145497.db2.gz QYGBNGKIHWNCHF-MAUKXSAKSA-N 2 2 391.581 3.567 20 0 GHADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)CC[C@H]21 ZINC001207175134 1034145510 /nfs/dbraw/zinc/14/55/10/1034145510.db2.gz QYGBNGKIHWNCHF-MAUKXSAKSA-N 2 2 391.581 3.567 20 0 GHADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)CC[C@H]21 ZINC001207175134 1034145521 /nfs/dbraw/zinc/14/55/21/1034145521.db2.gz QYGBNGKIHWNCHF-MAUKXSAKSA-N 2 2 391.581 3.567 20 0 GHADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)CC[C@H]21 ZINC001207175134 1034145530 /nfs/dbraw/zinc/14/55/30/1034145530.db2.gz QYGBNGKIHWNCHF-MAUKXSAKSA-N 2 2 391.581 3.567 20 0 GHADLP CC(C)CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)CC1 ZINC001207373010 1034315273 /nfs/dbraw/zinc/31/52/73/1034315273.db2.gz WTXCILYVFZMUKC-LJQANCHMSA-N 2 2 386.584 3.714 20 0 GHADLP COc1cc2ccc(N3CCC4(CC3)[NH2+]Cc3ccccc34)[nH+]c2cc1OC ZINC001159031400 1034391262 /nfs/dbraw/zinc/39/12/62/1034391262.db2.gz HERZIKQGHBHDDD-UHFFFAOYSA-N 2 2 375.472 3.851 20 0 GHADLP COc1cc(Br)cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC001207502126 1034407062 /nfs/dbraw/zinc/40/70/62/1034407062.db2.gz PXAPYZRMKYFXAW-UHFFFAOYSA-N 2 2 376.298 3.611 20 0 GHADLP [NH3+]C1CCN(c2[nH+]cccc2Nc2ccc(C[NH+]3CCCCC3)c(F)c2)CC1 ZINC001159262473 1034509635 /nfs/dbraw/zinc/50/96/35/1034509635.db2.gz XGGBQVYDPIRWBL-UHFFFAOYSA-N 3 2 383.515 3.878 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](CC3(c4ccccc4)CC3)CC2)C1 ZINC001207841136 1034616523 /nfs/dbraw/zinc/61/65/23/1034616523.db2.gz QPOIUFCZWKRBQU-HXUWFJFHSA-N 2 2 399.579 3.782 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](CC3(c4ccccc4)CC3)CC2)C1 ZINC001207841136 1034616530 /nfs/dbraw/zinc/61/65/30/1034616530.db2.gz QPOIUFCZWKRBQU-HXUWFJFHSA-N 2 2 399.579 3.782 20 0 GHADLP FC(F)(F)c1cccc(CCC[N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)c1 ZINC001207843017 1034618242 /nfs/dbraw/zinc/61/82/42/1034618242.db2.gz HFGQLTDABYOKFD-UHFFFAOYSA-N 2 2 392.469 3.946 20 0 GHADLP FC(F)(F)c1cccc(CCC[N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)c1 ZINC001207843017 1034618254 /nfs/dbraw/zinc/61/82/54/1034618254.db2.gz HFGQLTDABYOKFD-UHFFFAOYSA-N 2 2 392.469 3.946 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1c(C2CCC2)cnn1C ZINC001207873431 1034634408 /nfs/dbraw/zinc/63/44/08/1034634408.db2.gz VBMNQNKULCEWHB-UHFFFAOYSA-N 2 2 380.540 3.991 20 0 GHADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(Br)cc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001231584235 1034736173 /nfs/dbraw/zinc/73/61/73/1034736173.db2.gz PLOMVNAIXNCSHV-OLZOCXBDSA-N 2 2 377.248 3.851 20 0 GHADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(Br)cc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001231584235 1034736184 /nfs/dbraw/zinc/73/61/84/1034736184.db2.gz PLOMVNAIXNCSHV-OLZOCXBDSA-N 2 2 377.248 3.851 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(Br)cc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001231584235 1034736198 /nfs/dbraw/zinc/73/61/98/1034736198.db2.gz PLOMVNAIXNCSHV-OLZOCXBDSA-N 2 2 377.248 3.851 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(Br)cc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001231584235 1034736208 /nfs/dbraw/zinc/73/62/08/1034736208.db2.gz PLOMVNAIXNCSHV-OLZOCXBDSA-N 2 2 377.248 3.851 20 0 GHADLP CN(C)c1cc(NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc[nH+]1 ZINC001208173274 1034772440 /nfs/dbraw/zinc/77/24/40/1034772440.db2.gz DWIUTNDQCDOSFK-GOSISDBHSA-N 2 2 387.915 3.760 20 0 GHADLP Cc1sc2ccccc2c1C[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001231643530 1034802668 /nfs/dbraw/zinc/80/26/68/1034802668.db2.gz FANOBMJQQIUQCA-UHFFFAOYSA-N 2 2 395.576 3.845 20 0 GHADLP Cc1sc2ccccc2c1C[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001231643530 1034802682 /nfs/dbraw/zinc/80/26/82/1034802682.db2.gz FANOBMJQQIUQCA-UHFFFAOYSA-N 2 2 395.576 3.845 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC001231811090 1034923760 /nfs/dbraw/zinc/92/37/60/1034923760.db2.gz SUBJRBVWMLTPTQ-QHCPKHFHSA-N 2 2 384.520 3.507 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC001231811090 1034923762 /nfs/dbraw/zinc/92/37/62/1034923762.db2.gz SUBJRBVWMLTPTQ-QHCPKHFHSA-N 2 2 384.520 3.507 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC001231811090 1034923765 /nfs/dbraw/zinc/92/37/65/1034923765.db2.gz SUBJRBVWMLTPTQ-QHCPKHFHSA-N 2 2 384.520 3.507 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC001231811090 1034923768 /nfs/dbraw/zinc/92/37/68/1034923768.db2.gz SUBJRBVWMLTPTQ-QHCPKHFHSA-N 2 2 384.520 3.507 20 0 GHADLP c1csc(C[NH+]2C[C@@H]3CN(C[C@H]4CCCC[N@@H+]4Cc4ccccc4)C[C@H]3C2)n1 ZINC001208583316 1034940609 /nfs/dbraw/zinc/94/06/09/1034940609.db2.gz CERMKOKLXATZKF-FDFHNCONSA-N 2 2 396.604 3.561 20 0 GHADLP c1csc(C[NH+]2C[C@@H]3CN(C[C@H]4CCCC[N@H+]4Cc4ccccc4)C[C@H]3C2)n1 ZINC001208583316 1034940614 /nfs/dbraw/zinc/94/06/14/1034940614.db2.gz CERMKOKLXATZKF-FDFHNCONSA-N 2 2 396.604 3.561 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4c3OCCO4)C[C@@H]21 ZINC001231885437 1034967643 /nfs/dbraw/zinc/96/76/43/1034967643.db2.gz MHNBPYGJDOCRQC-BVYCBKJFSA-N 2 2 393.531 3.585 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4c3OCCO4)C[C@@H]21 ZINC001231885437 1034967650 /nfs/dbraw/zinc/96/76/50/1034967650.db2.gz MHNBPYGJDOCRQC-BVYCBKJFSA-N 2 2 393.531 3.585 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4c3OCCO4)C[C@@H]21 ZINC001231885437 1034967652 /nfs/dbraw/zinc/96/76/52/1034967652.db2.gz MHNBPYGJDOCRQC-BVYCBKJFSA-N 2 2 393.531 3.585 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3OCCO4)C[C@@H]21 ZINC001231885437 1034967655 /nfs/dbraw/zinc/96/76/55/1034967655.db2.gz MHNBPYGJDOCRQC-BVYCBKJFSA-N 2 2 393.531 3.585 20 0 GHADLP CC(C)Oc1ncccc1CC[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001208799922 1035027845 /nfs/dbraw/zinc/02/78/45/1035027845.db2.gz FAHWPCNQFHSAJQ-UHFFFAOYSA-N 2 2 379.548 3.934 20 0 GHADLP CC(C)Oc1ncccc1CC[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001208799922 1035027857 /nfs/dbraw/zinc/02/78/57/1035027857.db2.gz FAHWPCNQFHSAJQ-UHFFFAOYSA-N 2 2 379.548 3.934 20 0 GHADLP Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232013940 1035044541 /nfs/dbraw/zinc/04/45/41/1035044541.db2.gz WCGOHFZPTCSVBO-UHFFFAOYSA-N 2 2 384.487 3.684 20 0 GHADLP Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232013940 1035044547 /nfs/dbraw/zinc/04/45/47/1035044547.db2.gz WCGOHFZPTCSVBO-UHFFFAOYSA-N 2 2 384.487 3.684 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000090003836 1035065933 /nfs/dbraw/zinc/06/59/33/1035065933.db2.gz BYBOQMDOAIKPQO-SFHVURJKSA-N 2 2 375.520 3.549 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000090003836 1035065945 /nfs/dbraw/zinc/06/59/45/1035065945.db2.gz BYBOQMDOAIKPQO-SFHVURJKSA-N 2 2 375.520 3.549 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCN(Cc4ccncc4)CC3)C2)cc1 ZINC001208931322 1035094917 /nfs/dbraw/zinc/09/49/17/1035094917.db2.gz JAAWZFZIIJNKKD-XMMPIXPASA-N 2 2 378.564 3.502 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCN(Cc4ccncc4)CC3)C2)cc1 ZINC001208931322 1035094923 /nfs/dbraw/zinc/09/49/23/1035094923.db2.gz JAAWZFZIIJNKKD-XMMPIXPASA-N 2 2 378.564 3.502 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCN(Cc4ccncc4)CC3)C2)cc1 ZINC001208931322 1035094925 /nfs/dbraw/zinc/09/49/25/1035094925.db2.gz JAAWZFZIIJNKKD-XMMPIXPASA-N 2 2 378.564 3.502 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCN(Cc4ccncc4)CC3)C2)cc1 ZINC001208931322 1035094932 /nfs/dbraw/zinc/09/49/32/1035094932.db2.gz JAAWZFZIIJNKKD-XMMPIXPASA-N 2 2 378.564 3.502 20 0 GHADLP Fc1ccc(C[NH+]2CCN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208933458 1035096315 /nfs/dbraw/zinc/09/63/15/1035096315.db2.gz VQOFDLBSVIUZAP-QHCPKHFHSA-N 2 2 381.539 3.856 20 0 GHADLP Fc1ccc(C[NH+]2CCN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208933458 1035096318 /nfs/dbraw/zinc/09/63/18/1035096318.db2.gz VQOFDLBSVIUZAP-QHCPKHFHSA-N 2 2 381.539 3.856 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)c1 ZINC001232150051 1035128930 /nfs/dbraw/zinc/12/89/30/1035128930.db2.gz RMZHUQWBJDFWSQ-BGYRXZFFSA-N 2 2 391.531 3.861 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)c1 ZINC001232150051 1035128934 /nfs/dbraw/zinc/12/89/34/1035128934.db2.gz RMZHUQWBJDFWSQ-BGYRXZFFSA-N 2 2 391.531 3.861 20 0 GHADLP COC(=O)c1cccc(C[NH+]2CCC(Nc3cc(C)[nH+]c(C(C)(C)C)n3)CC2)c1 ZINC001161173593 1035167113 /nfs/dbraw/zinc/16/71/13/1035167113.db2.gz NQNBHTUWKQYTHU-UHFFFAOYSA-N 2 2 396.535 3.946 20 0 GHADLP CC[NH+]1CCC([N@H+](C)CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC1 ZINC001209341187 1035245745 /nfs/dbraw/zinc/24/57/45/1035245745.db2.gz YXASKYUJRWWBCF-UHFFFAOYSA-N 2 2 385.549 3.575 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC1 ZINC001209341187 1035245747 /nfs/dbraw/zinc/24/57/47/1035245747.db2.gz YXASKYUJRWWBCF-UHFFFAOYSA-N 2 2 385.549 3.575 20 0 GHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N[C@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001161827121 1035309910 /nfs/dbraw/zinc/30/99/10/1035309910.db2.gz JNNMDSYAULZNOI-BXKJMJEDSA-N 2 2 383.467 3.868 20 0 GHADLP CCC[NH+](CCC)CCCN1CC[NH+](Cc2c[nH]c3ncc(Cl)cc23)CC1 ZINC001209602701 1035326324 /nfs/dbraw/zinc/32/63/24/1035326324.db2.gz OMJZBQJCWPSFPR-UHFFFAOYSA-N 2 2 391.991 3.846 20 0 GHADLP [NH3+][C@@H](Cc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1)Cc1cccc(Cl)c1 ZINC001248234546 1035672018 /nfs/dbraw/zinc/67/20/18/1035672018.db2.gz WUTVLCXOPOJREA-QGZVFWFLSA-N 2 2 379.851 3.688 20 0 GHADLP Fc1cccc(C[C@H]2C[NH2+][C@H](c3nc(-c4ccc(-n5cc[nH+]c5)cc4)no3)C2)c1 ZINC001248619486 1035995660 /nfs/dbraw/zinc/99/56/60/1035995660.db2.gz OVPXEPWYOOIXOD-UZLBHIALSA-N 2 2 389.434 3.955 20 0 GHADLP C[NH+]1CCN(c2cccc(-c3ccc(-c4nc5c(o4)CC[N@H+](C)C5)cc3)c2)CC1 ZINC001243672612 1036247958 /nfs/dbraw/zinc/24/79/58/1036247958.db2.gz CSQKMNRFXXJEJE-UHFFFAOYSA-N 2 2 388.515 3.748 20 0 GHADLP C[NH+]1CCN(c2cccc(-c3ccc(-c4nc5c(o4)CC[N@@H+](C)C5)cc3)c2)CC1 ZINC001243672612 1036247969 /nfs/dbraw/zinc/24/79/69/1036247969.db2.gz CSQKMNRFXXJEJE-UHFFFAOYSA-N 2 2 388.515 3.748 20 0 GHADLP C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001462118938 1070008746 /nfs/dbraw/zinc/00/87/46/1070008746.db2.gz RSQRTCHHQZSAKC-APWZRJJASA-N 2 2 386.458 3.560 20 0 GHADLP C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001462118938 1070008757 /nfs/dbraw/zinc/00/87/57/1070008757.db2.gz RSQRTCHHQZSAKC-APWZRJJASA-N 2 2 386.458 3.560 20 0 GHADLP C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001462118939 1070009521 /nfs/dbraw/zinc/00/95/21/1070009521.db2.gz RSQRTCHHQZSAKC-LPHOPBHVSA-N 2 2 386.458 3.560 20 0 GHADLP C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001462118939 1070009525 /nfs/dbraw/zinc/00/95/25/1070009525.db2.gz RSQRTCHHQZSAKC-LPHOPBHVSA-N 2 2 386.458 3.560 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@H]([NH2+][C@@H]4[C@H]5C[NH2+]C[C@H]54)C[C@@H]23)cc1 ZINC001246148960 1037216869 /nfs/dbraw/zinc/21/68/69/1037216869.db2.gz ORLFKJWHZDQVBW-XOGRSFEHSA-N 3 2 387.571 3.559 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H]([NH2+][C@@H]4[C@H]5C[NH2+]C[C@H]54)C[C@@H]23)cc1 ZINC001246148960 1037216881 /nfs/dbraw/zinc/21/68/81/1037216881.db2.gz ORLFKJWHZDQVBW-XOGRSFEHSA-N 3 2 387.571 3.559 20 0 GHADLP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)CC2 ZINC001246201652 1037235383 /nfs/dbraw/zinc/23/53/83/1037235383.db2.gz INGBJSPXJGRBFD-KDOFPFPSSA-N 2 2 396.959 3.635 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)CO2 ZINC001246250276 1037253297 /nfs/dbraw/zinc/25/32/97/1037253297.db2.gz MAUIXXDYKYTKCQ-JENIJYKNSA-N 2 2 387.321 3.836 20 0 GHADLP c1ccc(-c2nnc3ccc(C[NH2+][C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)cn32)cc1 ZINC001246391102 1037351548 /nfs/dbraw/zinc/35/15/48/1037351548.db2.gz QUHIGHONFMCDBE-FGZHOGPDSA-N 2 2 383.499 3.979 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246455247 1037416892 /nfs/dbraw/zinc/41/68/92/1037416892.db2.gz HVBJOHIGDVABPZ-ZJSXRUAMSA-N 3 2 377.576 3.994 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001246455247 1037416908 /nfs/dbraw/zinc/41/69/08/1037416908.db2.gz HVBJOHIGDVABPZ-ZJSXRUAMSA-N 3 2 377.576 3.994 20 0 GHADLP COc1cccc([C@H](C[NH3+])[NH2+]C2CCC(c3ccc(OC(C)=O)cc3)CC2)c1 ZINC001246507472 1037447490 /nfs/dbraw/zinc/44/74/90/1037447490.db2.gz BXSMOURBOQSTHO-MLFGXNJISA-N 2 2 382.504 3.936 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H](N2CC[NH+](Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246522771 1037454881 /nfs/dbraw/zinc/45/48/81/1037454881.db2.gz GLGHFARLTBVESL-JTHBVZDNSA-N 2 2 385.502 3.884 20 0 GHADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC001246525181 1037458052 /nfs/dbraw/zinc/45/80/52/1037458052.db2.gz MPQUYSGDDGQKDM-FZKQIMNGSA-N 2 2 396.409 3.592 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([NH+]2CCN(c3noc4ccccc43)CC2)CC[NH2+]1 ZINC001246529708 1037463350 /nfs/dbraw/zinc/46/33/50/1037463350.db2.gz UDLXBKBGFUAALN-WIYYLYMNSA-N 2 2 394.494 3.891 20 0 GHADLP COc1ccccc1N1CC[NH+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)CC1 ZINC001246535765 1037470218 /nfs/dbraw/zinc/47/02/18/1037470218.db2.gz KPUKXDVQPQFDTO-TZIWHRDSSA-N 2 2 383.511 3.758 20 0 GHADLP CCC1CCC(C2CCC([N@@H+]3Cc4ncnn4C4(CC[NH2+]CC4)C3)CC2)CC1 ZINC001246648393 1037526406 /nfs/dbraw/zinc/52/64/06/1037526406.db2.gz XGBTVCGXWGYJHN-UHFFFAOYSA-N 2 2 385.600 3.948 20 0 GHADLP CCC1CCC(C2CCC([N@H+]3Cc4ncnn4C4(CC[NH2+]CC4)C3)CC2)CC1 ZINC001246648393 1037526431 /nfs/dbraw/zinc/52/64/31/1037526431.db2.gz XGBTVCGXWGYJHN-UHFFFAOYSA-N 2 2 385.600 3.948 20 0 GHADLP c1ccc([C@H]2C[C@H]([NH+]3CCN(c4nsc5ccccc54)CC3)CC[NH2+]2)cc1 ZINC001246682913 1037545846 /nfs/dbraw/zinc/54/58/46/1037545846.db2.gz XHIAIJAFEYMUPS-UYAOXDASSA-N 2 2 378.545 3.912 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+]([C@H]4CC[NH2+][C@@H](C(C)(C)C)C4)CC3)C2)cc1 ZINC001246747579 1037588436 /nfs/dbraw/zinc/58/84/36/1037588436.db2.gz PFYOABROXJFGIT-XZOQPEGZSA-N 3 2 399.623 3.829 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@H]4CC[NH2+][C@@H](C(C)(C)C)C4)CC3)C2)cc1 ZINC001246747579 1037588460 /nfs/dbraw/zinc/58/84/60/1037588460.db2.gz PFYOABROXJFGIT-XZOQPEGZSA-N 3 2 399.623 3.829 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)CC[NH2+]1 ZINC001246750581 1037591601 /nfs/dbraw/zinc/59/16/01/1037591601.db2.gz FKYAQCVFMGRIAS-OPYAIIAOSA-N 2 2 375.582 3.878 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)CC[NH2+]1 ZINC001246750581 1037591627 /nfs/dbraw/zinc/59/16/27/1037591627.db2.gz FKYAQCVFMGRIAS-OPYAIIAOSA-N 2 2 375.582 3.878 20 0 GHADLP Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CC[NH+]([C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246763031 1037606497 /nfs/dbraw/zinc/60/64/97/1037606497.db2.gz AZLXCMUQJDDREO-OALUTQOASA-N 2 2 393.531 3.723 20 0 GHADLP c1ccc(C[C@@H]2C[C@H]([NH+]3CCN(c4nc5ccccc5s4)CC3)CC[NH2+]2)cc1 ZINC001246775540 1037614979 /nfs/dbraw/zinc/61/49/79/1037614979.db2.gz GKAATWZRLSEKOG-WOJBJXKFSA-N 2 2 392.572 3.782 20 0 GHADLP CCCC[C@@H]1C[C@H]([NH+]2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246783581 1037623850 /nfs/dbraw/zinc/62/38/50/1037623850.db2.gz PHBCNAGHANVDDP-WOJBJXKFSA-N 2 2 394.401 3.878 20 0 GHADLP FC(F)(F)c1ccc(N2CC[NH+]([C@@H]3CC[NH2+]C4(CCC4)C3)CC2)nc1Cl ZINC001246788801 1037628513 /nfs/dbraw/zinc/62/85/13/1037628513.db2.gz QCHXNGWWZZMTHM-CYBMUJFWSA-N 2 2 388.865 3.551 20 0 GHADLP COc1ccc(Cl)cc1N1CC[NH+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246833743 1037663057 /nfs/dbraw/zinc/66/30/57/1037663057.db2.gz ICJVUOZHJOQXFU-RTWAWAEBSA-N 2 2 399.966 3.834 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1)C2 ZINC001246943932 1037746738 /nfs/dbraw/zinc/74/67/38/1037746738.db2.gz UPTQRMGMIAKELR-MHTWAQMVSA-N 2 2 389.515 3.532 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1)C2 ZINC001246943932 1037746753 /nfs/dbraw/zinc/74/67/53/1037746753.db2.gz UPTQRMGMIAKELR-MHTWAQMVSA-N 2 2 389.515 3.532 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246964719 1037787631 /nfs/dbraw/zinc/78/76/31/1037787631.db2.gz MTANCKGTJCHLTF-NVXWUHKLSA-N 2 2 380.479 3.641 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246964719 1037787641 /nfs/dbraw/zinc/78/76/41/1037787641.db2.gz MTANCKGTJCHLTF-NVXWUHKLSA-N 2 2 380.479 3.641 20 0 GHADLP CC(C)(C)[C@@H]1C[C@H](N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)CC[NH2+]1 ZINC001246988611 1037812072 /nfs/dbraw/zinc/81/20/72/1037812072.db2.gz IJGGYDBRBHMLRY-CEXWTWQISA-N 2 2 383.502 3.902 20 0 GHADLP CC(C)(C)[C@@H]1C[C@H](N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)CC[NH2+]1 ZINC001246988611 1037812085 /nfs/dbraw/zinc/81/20/85/1037812085.db2.gz IJGGYDBRBHMLRY-CEXWTWQISA-N 2 2 383.502 3.902 20 0 GHADLP FC1(F)CN([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC[C@H]1[NH+]1CCCCC1 ZINC001246992853 1037817161 /nfs/dbraw/zinc/81/71/61/1037817161.db2.gz ZRMHMQRGMKACBM-PWRODBHTSA-N 2 2 377.523 3.545 20 0 GHADLP c1cn(-c2ccc(-c3noc(C4CC[NH+](Cc5ccncc5)CC4)n3)cc2)c[nH+]1 ZINC001247083201 1037902193 /nfs/dbraw/zinc/90/21/93/1037902193.db2.gz QLGJKGQUENLOTL-UHFFFAOYSA-N 2 2 386.459 3.697 20 0 GHADLP CC(=O)Nc1nc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)cs1 ZINC001232284490 1038016978 /nfs/dbraw/zinc/01/69/78/1038016978.db2.gz MTTQYVVSRWDPAH-UHFFFAOYSA-N 2 2 390.578 3.651 20 0 GHADLP CC(=O)Nc1nc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)cs1 ZINC001232284490 1038017003 /nfs/dbraw/zinc/01/70/03/1038017003.db2.gz MTTQYVVSRWDPAH-UHFFFAOYSA-N 2 2 390.578 3.651 20 0 GHADLP CCc1sc(C[N@H+](CCOC)C2CC[NH+](C)CC2)cc1Br ZINC001232293289 1038029180 /nfs/dbraw/zinc/02/91/80/1038029180.db2.gz ZAKUNWSVZQGTTI-UHFFFAOYSA-N 2 2 375.376 3.616 20 0 GHADLP CCc1sc(C[N@@H+](CCOC)C2CC[NH+](C)CC2)cc1Br ZINC001232293289 1038029197 /nfs/dbraw/zinc/02/91/97/1038029197.db2.gz ZAKUNWSVZQGTTI-UHFFFAOYSA-N 2 2 375.376 3.616 20 0 GHADLP O=C1N(CCn2cc[nH+]c2)CC[C@@]12CCC[N@@H+](Cc1cc(Cl)cs1)CC2 ZINC001277672813 1038268476 /nfs/dbraw/zinc/26/84/76/1038268476.db2.gz HCLLGIMQQDXJRK-IBGZPJMESA-N 2 2 392.956 3.503 20 0 GHADLP O=C1N(CCn2cc[nH+]c2)CC[C@@]12CCC[N@H+](Cc1cc(Cl)cs1)CC2 ZINC001277672813 1038268486 /nfs/dbraw/zinc/26/84/86/1038268486.db2.gz HCLLGIMQQDXJRK-IBGZPJMESA-N 2 2 392.956 3.503 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3ccc(OC(F)(F)F)c(Cl)c3)no2)cc1 ZINC001247702373 1038340664 /nfs/dbraw/zinc/34/06/64/1038340664.db2.gz WNGNCXQNKNSBRE-ZDUSSCGKSA-N 2 2 398.772 3.914 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3ccc(OCc4ccccc4)cc3)no2)cc1 ZINC001247702369 1038341057 /nfs/dbraw/zinc/34/10/57/1038341057.db2.gz WKSCLVHJEKKWFC-OAQYLSRUSA-N 2 2 386.455 3.941 20 0 GHADLP CCOc1ccnc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001232581086 1038350464 /nfs/dbraw/zinc/35/04/64/1038350464.db2.gz JSZYOYKVXGIDQN-CDNPAEQRSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ccnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001232581086 1038350480 /nfs/dbraw/zinc/35/04/80/1038350480.db2.gz JSZYOYKVXGIDQN-CDNPAEQRSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ccnc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001232581086 1038350493 /nfs/dbraw/zinc/35/04/93/1038350493.db2.gz JSZYOYKVXGIDQN-CDNPAEQRSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ccnc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001232581086 1038350506 /nfs/dbraw/zinc/35/05/06/1038350506.db2.gz JSZYOYKVXGIDQN-CDNPAEQRSA-N 2 2 380.536 3.608 20 0 GHADLP FC(F)(F)c1ccc(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c(Cl)c1 ZINC001247863121 1038433573 /nfs/dbraw/zinc/43/35/73/1038433573.db2.gz YJYGBFAHZOXEDM-CYBMUJFWSA-N 2 2 386.805 3.956 20 0 GHADLP CC1([NH+]2CCCC2)CC[NH+](Cc2c[nH]c3cc(Br)ncc23)CC1 ZINC001232863305 1038618555 /nfs/dbraw/zinc/61/85/55/1038618555.db2.gz PETKFRKMDGRGMG-UHFFFAOYSA-N 2 2 377.330 3.776 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](C[C@@H](O)c1ccc(F)cc1)C2 ZINC001252842870 1039203512 /nfs/dbraw/zinc/20/35/12/1039203512.db2.gz GIMMZYMGSLNTOH-HSZRJFAPSA-N 2 2 395.478 3.537 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](C[C@@H](O)c1ccc(F)cc1)C2 ZINC001252842870 1039203537 /nfs/dbraw/zinc/20/35/37/1039203537.db2.gz GIMMZYMGSLNTOH-HSZRJFAPSA-N 2 2 395.478 3.537 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](C[C@@H](O)c1ccc(F)cc1)C2 ZINC001252842870 1039203551 /nfs/dbraw/zinc/20/35/51/1039203551.db2.gz GIMMZYMGSLNTOH-HSZRJFAPSA-N 2 2 395.478 3.537 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](C[C@@H](O)c1ccc(F)cc1)C2 ZINC001252842870 1039203565 /nfs/dbraw/zinc/20/35/65/1039203565.db2.gz GIMMZYMGSLNTOH-HSZRJFAPSA-N 2 2 395.478 3.537 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c(F)ccc(O)c1F)CC2 ZINC001233394549 1039228189 /nfs/dbraw/zinc/22/81/89/1039228189.db2.gz RLKONVUCEDDHHV-OAHLLOKOSA-N 2 2 392.446 3.519 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c(F)ccc(O)c1F)CC2 ZINC001233394549 1039228195 /nfs/dbraw/zinc/22/81/95/1039228195.db2.gz RLKONVUCEDDHHV-OAHLLOKOSA-N 2 2 392.446 3.519 20 0 GHADLP Oc1ccc(F)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c1F ZINC001233395395 1039230907 /nfs/dbraw/zinc/23/09/07/1039230907.db2.gz WBLUTBIXPXWGON-UHFFFAOYSA-N 2 2 388.458 3.537 20 0 GHADLP Oc1ccc(F)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1F ZINC001233395395 1039230917 /nfs/dbraw/zinc/23/09/17/1039230917.db2.gz WBLUTBIXPXWGON-UHFFFAOYSA-N 2 2 388.458 3.537 20 0 GHADLP Cc1c(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cccc1C(F)(F)F ZINC001252945795 1039289476 /nfs/dbraw/zinc/28/94/76/1039289476.db2.gz IOCHRYGXIBDZKH-FQEVSTJZSA-N 2 2 378.438 3.740 20 0 GHADLP Cc1c(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cccc1C(F)(F)F ZINC001252945795 1039289485 /nfs/dbraw/zinc/28/94/85/1039289485.db2.gz IOCHRYGXIBDZKH-FQEVSTJZSA-N 2 2 378.438 3.740 20 0 GHADLP O[C@]1(C[NH2+]Cc2cccc(OCC3CCC3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001252949748 1039294040 /nfs/dbraw/zinc/29/40/40/1039294040.db2.gz SUPAHMNGLQKMSO-DEOSSOPVSA-N 2 2 380.532 3.592 20 0 GHADLP O[C@]1(C[NH2+]Cc2cccc(OCC3CCC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252949748 1039294053 /nfs/dbraw/zinc/29/40/53/1039294053.db2.gz SUPAHMNGLQKMSO-DEOSSOPVSA-N 2 2 380.532 3.592 20 0 GHADLP COc1ncc(Cl)cc1C[NH+]1CCC2(C[NH+](Cc3scnc3C)C2)CC1 ZINC001278708492 1039506095 /nfs/dbraw/zinc/50/60/95/1039506095.db2.gz RAXDJJOFEXHECN-UHFFFAOYSA-N 2 2 392.956 3.607 20 0 GHADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC001253407171 1039603715 /nfs/dbraw/zinc/60/37/15/1039603715.db2.gz GGXPFMDLLAXFNW-OALUTQOASA-N 2 2 391.353 3.877 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@H](Oc3ncccc3C)C2)ccc1-n1cc[nH+]c1 ZINC001234085739 1039824590 /nfs/dbraw/zinc/82/45/90/1039824590.db2.gz VZRBCHOAUFYMJE-LJQANCHMSA-N 2 2 378.476 3.628 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@H](Oc3ncccc3C)C2)ccc1-n1cc[nH+]c1 ZINC001234085739 1039824622 /nfs/dbraw/zinc/82/46/22/1039824622.db2.gz VZRBCHOAUFYMJE-LJQANCHMSA-N 2 2 378.476 3.628 20 0 GHADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](C[C@@H](O)COc2ccc(C)cc2)CC1 ZINC001253826697 1039833075 /nfs/dbraw/zinc/83/30/75/1039833075.db2.gz ZYVLZDAZGPJDCB-HSZRJFAPSA-N 2 2 382.548 3.721 20 0 GHADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@@H](O)COc2ccc(C)cc2)CC1 ZINC001253826697 1039833098 /nfs/dbraw/zinc/83/30/98/1039833098.db2.gz ZYVLZDAZGPJDCB-HSZRJFAPSA-N 2 2 382.548 3.721 20 0 GHADLP CCCC[C@](CC)([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C(=O)OCC ZINC001254051520 1039976433 /nfs/dbraw/zinc/97/64/33/1039976433.db2.gz PMBWSVPHBZRGAM-QHCPKHFHSA-N 2 2 390.568 3.505 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC([NH2+]C3CCC(F)(F)CC3)CC2)C1 ZINC001254214185 1040070047 /nfs/dbraw/zinc/07/00/47/1040070047.db2.gz CHVCLIBDLDGAHL-KRWDZBQOSA-N 2 2 387.515 3.628 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C12CCC2 ZINC001462437341 1070252678 /nfs/dbraw/zinc/25/26/78/1070252678.db2.gz FQEAUJLDQLUYCP-OALUTQOASA-N 2 2 377.573 3.915 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C12CCC2 ZINC001462437341 1070252694 /nfs/dbraw/zinc/25/26/94/1070252694.db2.gz FQEAUJLDQLUYCP-OALUTQOASA-N 2 2 377.573 3.915 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001254493091 1040277077 /nfs/dbraw/zinc/27/70/77/1040277077.db2.gz AAYDXDKLVNHLPY-QFIPXVFZSA-N 2 2 395.595 3.924 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001254493091 1040277095 /nfs/dbraw/zinc/27/70/95/1040277095.db2.gz AAYDXDKLVNHLPY-QFIPXVFZSA-N 2 2 395.595 3.924 20 0 GHADLP [NH3+]C[C@H]([NH2+]C1CCN(c2ccc(F)cc2)CC1)c1ccc(Br)cc1 ZINC001254617365 1040388348 /nfs/dbraw/zinc/38/83/48/1040388348.db2.gz VEEBOGOSPALGJL-IBGZPJMESA-N 2 2 392.316 3.847 20 0 GHADLP CCOC(=O)c1cc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c[nH]1 ZINC001234948100 1040450444 /nfs/dbraw/zinc/45/04/44/1040450444.db2.gz ZYGVHIAOBYWFGJ-UHFFFAOYSA-N 2 2 398.894 3.715 20 0 GHADLP c1ccc(COc2cc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc3c2OCO3)cc1 ZINC001235000657 1040494544 /nfs/dbraw/zinc/49/45/44/1040494544.db2.gz WPBBJUINERDCHN-HSZRJFAPSA-N 2 2 380.488 3.570 20 0 GHADLP c1ccc(COc2cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc3c2OCO3)cc1 ZINC001235000657 1040494558 /nfs/dbraw/zinc/49/45/58/1040494558.db2.gz WPBBJUINERDCHN-HSZRJFAPSA-N 2 2 380.488 3.570 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1ccc3ccn(C)c3c1)CC2 ZINC001235017500 1040504658 /nfs/dbraw/zinc/50/46/58/1040504658.db2.gz DODVYNXXMDFRKN-UHFFFAOYSA-N 2 2 375.516 3.824 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1ccc3ccn(C)c3c1)CC2 ZINC001235017500 1040504673 /nfs/dbraw/zinc/50/46/73/1040504673.db2.gz DODVYNXXMDFRKN-UHFFFAOYSA-N 2 2 375.516 3.824 20 0 GHADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235021477 1040514923 /nfs/dbraw/zinc/51/49/23/1040514923.db2.gz INLJJWGREUSWQC-XMMPIXPASA-N 2 2 380.532 3.776 20 0 GHADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235021477 1040514937 /nfs/dbraw/zinc/51/49/37/1040514937.db2.gz INLJJWGREUSWQC-XMMPIXPASA-N 2 2 380.532 3.776 20 0 GHADLP CC[N@H+](C)C1CCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC1 ZINC001235039580 1040534183 /nfs/dbraw/zinc/53/41/83/1040534183.db2.gz PLZVQHXZLNCJJD-UHFFFAOYSA-N 2 2 377.330 3.551 20 0 GHADLP CC[N@@H+](C)C1CCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC1 ZINC001235039580 1040534194 /nfs/dbraw/zinc/53/41/94/1040534194.db2.gz PLZVQHXZLNCJJD-UHFFFAOYSA-N 2 2 377.330 3.551 20 0 GHADLP Clc1cc(Cl)c(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC001235041419 1040536722 /nfs/dbraw/zinc/53/67/22/1040536722.db2.gz QAHUSCSIGPCPFZ-MEBBXXQBSA-N 2 2 394.140 3.566 20 0 GHADLP Clc1cc(Cl)c(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC001235041419 1040536737 /nfs/dbraw/zinc/53/67/37/1040536737.db2.gz QAHUSCSIGPCPFZ-MEBBXXQBSA-N 2 2 394.140 3.566 20 0 GHADLP CC(C)(C)OC(=O)N1CCCCC12CC[NH+]([C@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254857380 1040601756 /nfs/dbraw/zinc/60/17/56/1040601756.db2.gz ZNQGTVDPUSWXHM-IBGZPJMESA-N 2 2 377.573 3.726 20 0 GHADLP Cn1c2ccccc2c(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)c1-c1ccccc1 ZINC001235115683 1040606473 /nfs/dbraw/zinc/60/64/73/1040606473.db2.gz GNUYZPXRZJXICZ-XMMPIXPASA-N 2 2 375.516 3.800 20 0 GHADLP Cn1c2ccccc2c(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)c1-c1ccccc1 ZINC001235115683 1040606486 /nfs/dbraw/zinc/60/64/86/1040606486.db2.gz GNUYZPXRZJXICZ-XMMPIXPASA-N 2 2 375.516 3.800 20 0 GHADLP COC(=O)c1cc(Br)cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001235287928 1040758931 /nfs/dbraw/zinc/75/89/31/1040758931.db2.gz WSRFTTROROKPKC-UHFFFAOYSA-N 2 2 383.330 3.540 20 0 GHADLP COC(=O)c1cc(Br)cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001235287928 1040758954 /nfs/dbraw/zinc/75/89/54/1040758954.db2.gz WSRFTTROROKPKC-UHFFFAOYSA-N 2 2 383.330 3.540 20 0 GHADLP Clc1ncnc(Cl)c1CC[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235363531 1040849347 /nfs/dbraw/zinc/84/93/47/1040849347.db2.gz RAKGVAORKYCEOO-JXFKEZNVSA-N 2 2 391.346 3.579 20 0 GHADLP Clc1ncnc(Cl)c1CC[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235363531 1040849356 /nfs/dbraw/zinc/84/93/56/1040849356.db2.gz RAKGVAORKYCEOO-JXFKEZNVSA-N 2 2 391.346 3.579 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)C2)cc1 ZINC001235365365 1040856483 /nfs/dbraw/zinc/85/64/83/1040856483.db2.gz NYCBWAFWIRKCSK-RNXOBYDBSA-N 3 2 389.587 3.762 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)C2)cc1 ZINC001235365365 1040856498 /nfs/dbraw/zinc/85/64/98/1040856498.db2.gz NYCBWAFWIRKCSK-RNXOBYDBSA-N 3 2 389.587 3.762 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)C2)cc1 ZINC001235365365 1040856526 /nfs/dbraw/zinc/85/65/26/1040856526.db2.gz NYCBWAFWIRKCSK-RNXOBYDBSA-N 3 2 389.587 3.762 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)C2)cc1 ZINC001235365365 1040856554 /nfs/dbraw/zinc/85/65/54/1040856554.db2.gz NYCBWAFWIRKCSK-RNXOBYDBSA-N 3 2 389.587 3.762 20 0 GHADLP COc1cc(-c2ccc[nH]2)[nH]c1C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235388689 1040906714 /nfs/dbraw/zinc/90/67/14/1040906714.db2.gz YWWTVEISTOKOMB-CYFREDJKSA-N 2 2 390.531 3.772 20 0 GHADLP COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235388689 1040906716 /nfs/dbraw/zinc/90/67/16/1040906716.db2.gz YWWTVEISTOKOMB-CYFREDJKSA-N 2 2 390.531 3.772 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001255220034 1040912753 /nfs/dbraw/zinc/91/27/53/1040912753.db2.gz GYTVWQKNPLVOEP-VJDPLVQDSA-N 2 2 382.508 3.892 20 0 GHADLP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3ncc(Cl)cc3Cl)CC2)C1 ZINC001278858945 1040949093 /nfs/dbraw/zinc/94/90/93/1040949093.db2.gz IZBIBMOXIZUNDW-UHFFFAOYSA-N 2 2 385.383 3.628 20 0 GHADLP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3ncc(Cl)cc3Cl)CC2)C1 ZINC001278858945 1040949096 /nfs/dbraw/zinc/94/90/96/1040949096.db2.gz IZBIBMOXIZUNDW-UHFFFAOYSA-N 2 2 385.383 3.628 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)C1 ZINC001255350126 1040955725 /nfs/dbraw/zinc/95/57/25/1040955725.db2.gz RJLBRBQMVOHATR-DYESRHJHSA-N 2 2 376.516 3.810 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001255381945 1040972826 /nfs/dbraw/zinc/97/28/26/1040972826.db2.gz ABKAYQCJACPMLR-VWLOTQADSA-N 3 2 393.575 3.663 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001255381945 1040972828 /nfs/dbraw/zinc/97/28/28/1040972828.db2.gz ABKAYQCJACPMLR-VWLOTQADSA-N 3 2 393.575 3.663 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]Cc3cc(OC4CCOCC4)ccn3)CC2)cc1 ZINC001255393498 1040981712 /nfs/dbraw/zinc/98/17/12/1040981712.db2.gz ROBYSNNABXNOAL-NRFANRHFSA-N 2 2 395.547 3.784 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]Cc3cc(OC4CCOCC4)ccn3)CC2)cc1 ZINC001255393498 1040981718 /nfs/dbraw/zinc/98/17/18/1040981718.db2.gz ROBYSNNABXNOAL-NRFANRHFSA-N 2 2 395.547 3.784 20 0 GHADLP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255400550 1040986718 /nfs/dbraw/zinc/98/67/18/1040986718.db2.gz LVBWTUCEGLZERT-PZJWPPBQSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255400550 1040986720 /nfs/dbraw/zinc/98/67/20/1040986720.db2.gz LVBWTUCEGLZERT-PZJWPPBQSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255400550 1040986721 /nfs/dbraw/zinc/98/67/21/1040986721.db2.gz LVBWTUCEGLZERT-PZJWPPBQSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255400550 1040986722 /nfs/dbraw/zinc/98/67/22/1040986722.db2.gz LVBWTUCEGLZERT-PZJWPPBQSA-N 2 2 387.568 3.982 20 0 GHADLP Fc1ccccc1-n1cccc1C[N@@H+]1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001235566503 1040992399 /nfs/dbraw/zinc/99/23/99/1040992399.db2.gz RYYXRHMWAVBJGI-UHFFFAOYSA-N 2 2 393.510 3.861 20 0 GHADLP Fc1ccccc1-n1cccc1C[N@H+]1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001235566503 1040992404 /nfs/dbraw/zinc/99/24/04/1040992404.db2.gz RYYXRHMWAVBJGI-UHFFFAOYSA-N 2 2 393.510 3.861 20 0 GHADLP CC1(C)C[C@@H]([N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542475 1041119894 /nfs/dbraw/zinc/11/98/94/1041119894.db2.gz HMPNLNSSFXYCRK-AZUAARDMSA-N 2 2 379.495 3.572 20 0 GHADLP CC1(C)C[C@@H]([N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542475 1041119898 /nfs/dbraw/zinc/11/98/98/1041119898.db2.gz HMPNLNSSFXYCRK-AZUAARDMSA-N 2 2 379.495 3.572 20 0 GHADLP CC1(C)C[C@@H]([NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542475 1041119902 /nfs/dbraw/zinc/11/99/02/1041119902.db2.gz HMPNLNSSFXYCRK-AZUAARDMSA-N 2 2 379.495 3.572 20 0 GHADLP CC1(C)C[C@@H]([NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542475 1041119911 /nfs/dbraw/zinc/11/99/11/1041119911.db2.gz HMPNLNSSFXYCRK-AZUAARDMSA-N 2 2 379.495 3.572 20 0 GHADLP c1cc(-c2ccc3c(C4C[NH+](C5CCC6(CC5)OCCO6)C4)[nH+]cn3c2)co1 ZINC001255626031 1041177730 /nfs/dbraw/zinc/17/77/30/1041177730.db2.gz UFYXHTUGCLNWDH-UHFFFAOYSA-N 2 2 379.460 3.679 20 0 GHADLP Cc1ccc(S(=O)(=O)c2ccccc2C[N@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC001235717600 1041201592 /nfs/dbraw/zinc/20/15/92/1041201592.db2.gz VVRDHZIVVDWXBW-UHFFFAOYSA-N 2 2 386.561 3.649 20 0 GHADLP Cc1ccc(S(=O)(=O)c2ccccc2C[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC001235717600 1041201606 /nfs/dbraw/zinc/20/16/06/1041201606.db2.gz VVRDHZIVVDWXBW-UHFFFAOYSA-N 2 2 386.561 3.649 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+]([C@H]2CCC[C@@H](C(F)(F)F)C2)CC3)n1 ZINC001255716538 1041242959 /nfs/dbraw/zinc/24/29/59/1041242959.db2.gz MVZAIIPXJHHULT-AEFFLSMTSA-N 2 2 384.490 3.972 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+]([C@H]2CCC[C@@H](C(F)(F)F)C2)CC3)n1 ZINC001255716538 1041242974 /nfs/dbraw/zinc/24/29/74/1041242974.db2.gz MVZAIIPXJHHULT-AEFFLSMTSA-N 2 2 384.490 3.972 20 0 GHADLP CC[N@H+](Cc1cc(I)ccc1Cl)C1CC[NH2+]CC1 ZINC001235764852 1041256837 /nfs/dbraw/zinc/25/68/37/1041256837.db2.gz MASXWNFEWJKXSQ-UHFFFAOYSA-N 2 2 378.685 3.519 20 0 GHADLP CC[N@@H+](Cc1cc(I)ccc1Cl)C1CC[NH2+]CC1 ZINC001235764852 1041256855 /nfs/dbraw/zinc/25/68/55/1041256855.db2.gz MASXWNFEWJKXSQ-UHFFFAOYSA-N 2 2 378.685 3.519 20 0 GHADLP COc1ccccc1Oc1cccc(CN2CC[NH+](C3(C)CC[NH2+]CC3)CC2)c1 ZINC001235820712 1041338911 /nfs/dbraw/zinc/33/89/11/1041338911.db2.gz SURAVBIWIVBWJX-UHFFFAOYSA-N 2 2 395.547 3.747 20 0 GHADLP Cc1ccccc1O[C@H](CC[N@@H+](C)Cc1cn2c(n1)C[NH2+]CC2)c1ccccc1 ZINC001235839792 1041368687 /nfs/dbraw/zinc/36/86/87/1041368687.db2.gz GNRDBERMNSLTFR-HSZRJFAPSA-N 2 2 390.531 3.937 20 0 GHADLP Cc1ccccc1O[C@H](CC[N@H+](C)Cc1cn2c(n1)C[NH2+]CC2)c1ccccc1 ZINC001235839792 1041368704 /nfs/dbraw/zinc/36/87/04/1041368704.db2.gz GNRDBERMNSLTFR-HSZRJFAPSA-N 2 2 390.531 3.937 20 0 GHADLP COc1cccc(OC)c1C[NH+]1CCC([NH+]2CCC3(CCOCC3)CC2)CC1 ZINC001255936551 1041425358 /nfs/dbraw/zinc/42/53/58/1041425358.db2.gz VKMFFVIJWKDTCL-UHFFFAOYSA-N 2 2 388.552 3.561 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001255961900 1041441469 /nfs/dbraw/zinc/44/14/69/1041441469.db2.gz YLWVHCXBESSXAU-IBGZPJMESA-N 3 2 379.614 3.535 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001255961900 1041441478 /nfs/dbraw/zinc/44/14/78/1041441478.db2.gz YLWVHCXBESSXAU-IBGZPJMESA-N 3 2 379.614 3.535 20 0 GHADLP Cc1cc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)ncc1Br ZINC001235979192 1041484818 /nfs/dbraw/zinc/48/48/18/1041484818.db2.gz VIEDWPVNCPQJEN-UHFFFAOYSA-N 2 2 386.337 3.790 20 0 GHADLP Cc1cc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)ncc1Br ZINC001235979192 1041484830 /nfs/dbraw/zinc/48/48/30/1041484830.db2.gz VIEDWPVNCPQJEN-UHFFFAOYSA-N 2 2 386.337 3.790 20 0 GHADLP FC(F)(F)c1cc(Cl)c(C[NH+]2CCC(N3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC001236128139 1041556282 /nfs/dbraw/zinc/55/62/82/1041556282.db2.gz LUSDPLLGBHCJEA-UHFFFAOYSA-N 2 2 396.284 3.882 20 0 GHADLP COc1cc(Br)c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1O ZINC001236374842 1041686566 /nfs/dbraw/zinc/68/65/66/1041686566.db2.gz FPVBURLHUMVVIJ-AWEZNQCLSA-N 2 2 397.357 3.908 20 0 GHADLP COc1cc(Br)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1O ZINC001236374842 1041686574 /nfs/dbraw/zinc/68/65/74/1041686574.db2.gz FPVBURLHUMVVIJ-AWEZNQCLSA-N 2 2 397.357 3.908 20 0 GHADLP COc1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(Br)cn1 ZINC001236374901 1041687711 /nfs/dbraw/zinc/68/77/11/1041687711.db2.gz GHRCPUDBMYGSLO-AWEZNQCLSA-N 2 2 382.346 3.597 20 0 GHADLP COc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(Br)cn1 ZINC001236374901 1041687720 /nfs/dbraw/zinc/68/77/20/1041687720.db2.gz GHRCPUDBMYGSLO-AWEZNQCLSA-N 2 2 382.346 3.597 20 0 GHADLP COc1ccc2nc(C[N@@H+](Cc3ccc(F)cc3)CC3CC[NH2+]CC3)[nH]c2c1 ZINC001236385877 1041693323 /nfs/dbraw/zinc/69/33/23/1041693323.db2.gz IZLJOCQMXWVETG-UHFFFAOYSA-N 2 2 382.483 3.712 20 0 GHADLP COc1ccc2nc(C[N@H+](Cc3ccc(F)cc3)CC3CC[NH2+]CC3)[nH]c2c1 ZINC001236385877 1041693326 /nfs/dbraw/zinc/69/33/26/1041693326.db2.gz IZLJOCQMXWVETG-UHFFFAOYSA-N 2 2 382.483 3.712 20 0 GHADLP Clc1ccc(N2CCC([NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)CC2)cc1 ZINC001256310727 1041696573 /nfs/dbraw/zinc/69/65/73/1041696573.db2.gz SMBKIMMDVHXSDT-PMACEKPBSA-N 2 2 396.966 3.768 20 0 GHADLP Cn1cc(-c2ccc(CNc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)cc2)cn1 ZINC001256325316 1041703546 /nfs/dbraw/zinc/70/35/46/1041703546.db2.gz WHQGMMIKRWEIIW-UHFFFAOYSA-N 2 2 390.535 3.625 20 0 GHADLP c1ccc(C[NH+]2CCC(C[N@H+](Cc3ccncc3)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001236435451 1041710383 /nfs/dbraw/zinc/71/03/83/1041710383.db2.gz ANQBXIPCVHNVDU-XMMPIXPASA-N 3 2 378.564 3.548 20 0 GHADLP c1ccc(C[NH+]2CCC(C[N@@H+](Cc3ccncc3)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001236435451 1041710388 /nfs/dbraw/zinc/71/03/88/1041710388.db2.gz ANQBXIPCVHNVDU-XMMPIXPASA-N 3 2 378.564 3.548 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CCN1C(=O)OC(C)(C)C ZINC001256464284 1041744812 /nfs/dbraw/zinc/74/48/12/1041744812.db2.gz XQVNRNVOZWYSMB-DLBZAZTESA-N 2 2 391.531 3.864 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cc(Br)ccc2N(C)C)C1 ZINC001236707865 1041845056 /nfs/dbraw/zinc/84/50/56/1041845056.db2.gz OCRUBWCXKZOGHJ-KRWDZBQOSA-N 2 2 390.325 3.872 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cc(Br)ccc2N(C)C)C1 ZINC001236707865 1041845060 /nfs/dbraw/zinc/84/50/60/1041845060.db2.gz OCRUBWCXKZOGHJ-KRWDZBQOSA-N 2 2 390.325 3.872 20 0 GHADLP Cc1cccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)c1Cl ZINC001236855818 1041930475 /nfs/dbraw/zinc/93/04/75/1041930475.db2.gz IILHTCABVLULAI-HKBOAZHASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1cccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)c1Cl ZINC001236855818 1041930478 /nfs/dbraw/zinc/93/04/78/1041930478.db2.gz IILHTCABVLULAI-HKBOAZHASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1Cl ZINC001236855818 1041930479 /nfs/dbraw/zinc/93/04/79/1041930479.db2.gz IILHTCABVLULAI-HKBOAZHASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1Cl ZINC001236855818 1041930482 /nfs/dbraw/zinc/93/04/82/1041930482.db2.gz IILHTCABVLULAI-HKBOAZHASA-N 2 2 399.970 3.615 20 0 GHADLP O=C1CCC2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC2)N1CC1CC1 ZINC001236902778 1041947809 /nfs/dbraw/zinc/94/78/09/1041947809.db2.gz IYWBNXWJEOTDNW-UHFFFAOYSA-N 2 2 398.938 3.893 20 0 GHADLP Clc1cc(C[NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)ccc1-n1cc[nH+]c1 ZINC001236903252 1041947967 /nfs/dbraw/zinc/94/79/67/1041947967.db2.gz HOGNVDWLJDGNSO-UHFFFAOYSA-N 2 2 399.926 3.690 20 0 GHADLP O=C1N(CC2CC2)CCC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)CC2 ZINC001236911276 1041953240 /nfs/dbraw/zinc/95/32/40/1041953240.db2.gz XSNZGXHHNQDEOT-UHFFFAOYSA-N 2 2 398.938 3.750 20 0 GHADLP CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236916100 1041956353 /nfs/dbraw/zinc/95/63/53/1041956353.db2.gz AHSGAUDWHYHVQC-AZUAARDMSA-N 2 2 375.900 3.686 20 0 GHADLP CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236916100 1041956356 /nfs/dbraw/zinc/95/63/56/1041956356.db2.gz AHSGAUDWHYHVQC-AZUAARDMSA-N 2 2 375.900 3.686 20 0 GHADLP O=C1[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C[C@H]2CN1c1ccsc1 ZINC001236921547 1041960249 /nfs/dbraw/zinc/96/02/49/1041960249.db2.gz KOIOQEVVXJLWIH-YJBOKZPZSA-N 2 2 398.919 3.682 20 0 GHADLP O=C1[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C[C@H]2CN1c1ccsc1 ZINC001236921547 1041960251 /nfs/dbraw/zinc/96/02/51/1041960251.db2.gz KOIOQEVVXJLWIH-YJBOKZPZSA-N 2 2 398.919 3.682 20 0 GHADLP [NH3+]C[C@@H]1Cc2ccccc2CN1Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001237027096 1041995685 /nfs/dbraw/zinc/99/56/85/1041995685.db2.gz CAYYFYKQJFPOLP-SFHVURJKSA-N 2 2 397.320 3.520 20 0 GHADLP Brc1cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)ccc1-n1cccn1 ZINC001237154764 1042067443 /nfs/dbraw/zinc/06/74/43/1042067443.db2.gz FWGGIIIHQBEBBC-KRWDZBQOSA-N 2 2 389.341 3.741 20 0 GHADLP Brc1cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)ccc1-n1cccn1 ZINC001237154764 1042067451 /nfs/dbraw/zinc/06/74/51/1042067451.db2.gz FWGGIIIHQBEBBC-KRWDZBQOSA-N 2 2 389.341 3.741 20 0 GHADLP CCOC(=O)c1nc(C[NH+]2CCC(CC3CC[NH+](CC)CC3)CC2)sc1C ZINC001237230615 1042097719 /nfs/dbraw/zinc/09/77/19/1042097719.db2.gz RGUAIWVVRKEXOH-UHFFFAOYSA-N 2 2 393.597 3.962 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)ccc1C(F)F ZINC001237270748 1042115777 /nfs/dbraw/zinc/11/57/77/1042115777.db2.gz UVLIKWIFGLSRBH-NRFANRHFSA-N 2 2 382.495 3.956 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)ccc1C(F)F ZINC001237270748 1042115780 /nfs/dbraw/zinc/11/57/80/1042115780.db2.gz UVLIKWIFGLSRBH-NRFANRHFSA-N 2 2 382.495 3.956 20 0 GHADLP COc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)ccc1C(F)F ZINC001237270748 1042115782 /nfs/dbraw/zinc/11/57/82/1042115782.db2.gz UVLIKWIFGLSRBH-NRFANRHFSA-N 2 2 382.495 3.956 20 0 GHADLP COc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)ccc1C(F)F ZINC001237270748 1042115787 /nfs/dbraw/zinc/11/57/87/1042115787.db2.gz UVLIKWIFGLSRBH-NRFANRHFSA-N 2 2 382.495 3.956 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc4c(F)cccc34)CC2)C1 ZINC001237517393 1042246442 /nfs/dbraw/zinc/24/64/42/1042246442.db2.gz HGUHSDBPHOEMNM-SFHVURJKSA-N 2 2 384.495 3.828 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc4c(F)cccc34)CC2)C1 ZINC001237517393 1042246448 /nfs/dbraw/zinc/24/64/48/1042246448.db2.gz HGUHSDBPHOEMNM-SFHVURJKSA-N 2 2 384.495 3.828 20 0 GHADLP c1ccc(C2CCOCC2)c(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001237895019 1042413242 /nfs/dbraw/zinc/41/32/42/1042413242.db2.gz JMTXPJOGLYCKLI-GOTSBHOMSA-N 2 2 377.532 3.539 20 0 GHADLP CCCOc1cc(F)ccc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001237905780 1042418094 /nfs/dbraw/zinc/41/80/94/1042418094.db2.gz RPOXTNGDHWJBIX-OFNKIYASSA-N 2 2 390.543 3.795 20 0 GHADLP CCCOc1cc(F)ccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001237905780 1042418096 /nfs/dbraw/zinc/41/80/96/1042418096.db2.gz RPOXTNGDHWJBIX-OFNKIYASSA-N 2 2 390.543 3.795 20 0 GHADLP CCCOc1cc(F)ccc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001237905780 1042418100 /nfs/dbraw/zinc/41/81/00/1042418100.db2.gz RPOXTNGDHWJBIX-OFNKIYASSA-N 2 2 390.543 3.795 20 0 GHADLP CCCOc1cc(F)ccc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001237905780 1042418102 /nfs/dbraw/zinc/41/81/02/1042418102.db2.gz RPOXTNGDHWJBIX-OFNKIYASSA-N 2 2 390.543 3.795 20 0 GHADLP Cc1sccc1C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001237973264 1042441399 /nfs/dbraw/zinc/44/13/99/1042441399.db2.gz BMJRBTGHBCTEHC-QGZVFWFLSA-N 2 2 379.570 3.620 20 0 GHADLP Cc1sccc1C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001237973264 1042441400 /nfs/dbraw/zinc/44/14/00/1042441400.db2.gz BMJRBTGHBCTEHC-QGZVFWFLSA-N 2 2 379.570 3.620 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccc(N5CCCCC5)n4)C[C@@H]3C2)cc1 ZINC001238007278 1042456357 /nfs/dbraw/zinc/45/63/57/1042456357.db2.gz SPGSLVBJMIPFDS-SZPZYZBQSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccc(N5CCCCC5)n4)C[C@@H]3C2)cc1 ZINC001238007278 1042456364 /nfs/dbraw/zinc/45/63/64/1042456364.db2.gz SPGSLVBJMIPFDS-SZPZYZBQSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccc(N5CCCCC5)n4)C[C@@H]3C2)cc1 ZINC001238007278 1042456368 /nfs/dbraw/zinc/45/63/68/1042456368.db2.gz SPGSLVBJMIPFDS-SZPZYZBQSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccc(N5CCCCC5)n4)C[C@@H]3C2)cc1 ZINC001238007278 1042456371 /nfs/dbraw/zinc/45/63/71/1042456371.db2.gz SPGSLVBJMIPFDS-SZPZYZBQSA-N 2 2 376.548 3.636 20 0 GHADLP FC(F)(F)Oc1ccc(C[NH+]2CCN(Cc3cccc4c[nH+]cn43)CC2)cc1 ZINC001238105857 1042493904 /nfs/dbraw/zinc/49/39/04/1042493904.db2.gz FQHDBNYVWUVCRT-UHFFFAOYSA-N 2 2 390.409 3.551 20 0 GHADLP CCOc1cc(F)c(F)cc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001238653595 1042671518 /nfs/dbraw/zinc/67/15/18/1042671518.db2.gz PXZJLMWTFQLICX-MJGOQNOKSA-N 2 2 387.474 3.712 20 0 GHADLP CCOc1cc(F)c(F)cc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001238653595 1042671521 /nfs/dbraw/zinc/67/15/21/1042671521.db2.gz PXZJLMWTFQLICX-MJGOQNOKSA-N 2 2 387.474 3.712 20 0 GHADLP CCOc1cc(F)c(F)cc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001238653595 1042671523 /nfs/dbraw/zinc/67/15/23/1042671523.db2.gz PXZJLMWTFQLICX-MJGOQNOKSA-N 2 2 387.474 3.712 20 0 GHADLP CCOc1cc(F)c(F)cc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001238653595 1042671527 /nfs/dbraw/zinc/67/15/27/1042671527.db2.gz PXZJLMWTFQLICX-MJGOQNOKSA-N 2 2 387.474 3.712 20 0 GHADLP C[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2)nc1 ZINC001240449111 1042930060 /nfs/dbraw/zinc/93/00/60/1042930060.db2.gz BZCJNOBNHQPHEQ-QHCPKHFHSA-N 2 2 381.520 3.616 20 0 GHADLP C[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2)nc1 ZINC001240449111 1042930062 /nfs/dbraw/zinc/93/00/62/1042930062.db2.gz BZCJNOBNHQPHEQ-QHCPKHFHSA-N 2 2 381.520 3.616 20 0 GHADLP C[NH+]1CCC(c2cccc(-c3ccc(OCC[NH+]4CCOCC4)cc3)c2)CC1 ZINC001240453092 1042931516 /nfs/dbraw/zinc/93/15/16/1042931516.db2.gz QVNZWFOZSRXWFW-UHFFFAOYSA-N 2 2 380.532 3.874 20 0 GHADLP C[C@H]1C[C@@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CCN1C(=O)OC(C)(C)C ZINC001256490648 1043427336 /nfs/dbraw/zinc/42/73/36/1043427336.db2.gz UDZDHMHGSMTKLI-RDJZCZTQSA-N 2 2 392.519 3.567 20 0 GHADLP Cc1cc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)ncc1Br ZINC001278943751 1043441092 /nfs/dbraw/zinc/44/10/92/1043441092.db2.gz LSFVTWDOBPGYJQ-UHFFFAOYSA-N 2 2 389.341 3.579 20 0 GHADLP Cc1cncnc1O[C@@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556943 1043527576 /nfs/dbraw/zinc/52/75/76/1043527576.db2.gz JINORXZGJGWEHX-BAGYTPMASA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cncnc1O[C@@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556943 1043527586 /nfs/dbraw/zinc/52/75/86/1043527586.db2.gz JINORXZGJGWEHX-BAGYTPMASA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cncnc1O[C@@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556943 1043527598 /nfs/dbraw/zinc/52/75/98/1043527598.db2.gz JINORXZGJGWEHX-BAGYTPMASA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cncnc1O[C@@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556943 1043527603 /nfs/dbraw/zinc/52/76/03/1043527603.db2.gz JINORXZGJGWEHX-BAGYTPMASA-N 2 2 380.536 3.681 20 0 GHADLP COc1ccc(O[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC001256612688 1043576990 /nfs/dbraw/zinc/57/69/90/1043576990.db2.gz PKWGESLERHQDPT-QFIPXVFZSA-N 2 2 381.520 3.598 20 0 GHADLP COc1ccc(O[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC001256612688 1043576999 /nfs/dbraw/zinc/57/69/99/1043576999.db2.gz PKWGESLERHQDPT-QFIPXVFZSA-N 2 2 381.520 3.598 20 0 GHADLP C[C@@H](Cc1ccncc1)[NH2+]C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001256723774 1043637289 /nfs/dbraw/zinc/63/72/89/1043637289.db2.gz GGHHAIMBZOEEMB-OFVILXPXSA-N 2 2 389.543 3.666 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001257048783 1043821423 /nfs/dbraw/zinc/82/14/23/1043821423.db2.gz ULSGBVGQESPHJO-RHSMWYFYSA-N 2 2 384.442 3.687 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)C1 ZINC001257060252 1043826032 /nfs/dbraw/zinc/82/60/32/1043826032.db2.gz JGZKKHFAIXIVQW-BEFAXECRSA-N 2 2 379.460 3.725 20 0 GHADLP COc1ccc([C@H]([NH3+])[C@@H]([NH2+]C2C[C@H](C)O[C@@H](C)C2)c2ccc(OC)cc2)cc1 ZINC001257078248 1043833125 /nfs/dbraw/zinc/83/31/25/1043833125.db2.gz GPPPYFTZJPMEQC-ZMMDUFCOSA-N 2 2 384.520 3.991 20 0 GHADLP CCOC(=O)c1ccc(C[C@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001257155849 1043904689 /nfs/dbraw/zinc/90/46/89/1043904689.db2.gz YFAALMLIDMOZGD-YYWHXJBOSA-N 2 2 381.520 3.966 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257817121 1044198199 /nfs/dbraw/zinc/19/81/99/1044198199.db2.gz WKOOZJMICDTVKB-GHTZIAJQSA-N 2 2 376.545 3.775 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257817121 1044198205 /nfs/dbraw/zinc/19/82/05/1044198205.db2.gz WKOOZJMICDTVKB-GHTZIAJQSA-N 2 2 376.545 3.775 20 0 GHADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257972636 1044294367 /nfs/dbraw/zinc/29/43/67/1044294367.db2.gz HYTCBAUTZISUKR-MISYRCLQSA-N 2 2 375.557 3.537 20 0 GHADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257974620 1044298740 /nfs/dbraw/zinc/29/87/40/1044298740.db2.gz YDJZASVUNQUDOU-NJDAHSKKSA-N 2 2 387.568 3.681 20 0 GHADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257974620 1044298754 /nfs/dbraw/zinc/29/87/54/1044298754.db2.gz YDJZASVUNQUDOU-NJDAHSKKSA-N 2 2 387.568 3.681 20 0 GHADLP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1c(Cl)cc(O)cc1Cl)C2 ZINC001279081679 1044460448 /nfs/dbraw/zinc/46/04/48/1044460448.db2.gz LXLWTPFPKDXRQE-LJQANCHMSA-N 2 2 386.367 3.549 20 0 GHADLP COc1ccc(CC[C@@H](C)[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001258401551 1044540550 /nfs/dbraw/zinc/54/05/50/1044540550.db2.gz NEEXSEGLPKXTHS-PTUXOGIPSA-N 2 2 379.548 3.865 20 0 GHADLP COc1ccc(CC[C@@H](C)[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001258401551 1044540561 /nfs/dbraw/zinc/54/05/61/1044540561.db2.gz NEEXSEGLPKXTHS-PTUXOGIPSA-N 2 2 379.548 3.865 20 0 GHADLP COc1ccc(CC[C@@H](C)[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001258401551 1044540570 /nfs/dbraw/zinc/54/05/70/1044540570.db2.gz NEEXSEGLPKXTHS-PTUXOGIPSA-N 2 2 379.548 3.865 20 0 GHADLP COc1ccc(CC[C@@H](C)[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001258401551 1044540586 /nfs/dbraw/zinc/54/05/86/1044540586.db2.gz NEEXSEGLPKXTHS-PTUXOGIPSA-N 2 2 379.548 3.865 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc4c3CCCCC4)CC2)CC1 ZINC001299523862 1044715570 /nfs/dbraw/zinc/71/55/70/1044715570.db2.gz LMNYCVUWXMVMBB-UHFFFAOYSA-N 2 2 383.580 3.588 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc4c3CCCCC4)CC2)CC1 ZINC001299523862 1044715582 /nfs/dbraw/zinc/71/55/82/1044715582.db2.gz LMNYCVUWXMVMBB-UHFFFAOYSA-N 2 2 383.580 3.588 20 0 GHADLP CCCC[C@H](Cc1ccccc1)[NH2+]C1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001258708241 1044723600 /nfs/dbraw/zinc/72/36/00/1044723600.db2.gz TWQKKASZHYKLMY-HSZRJFAPSA-N 2 2 393.575 3.898 20 0 GHADLP Cc1cccc(C2(C(=O)Nc3cc(N4CC[NH+](C)CC4)cc[nH+]3)CCCC2)c1 ZINC001302316892 1046907605 /nfs/dbraw/zinc/90/76/05/1046907605.db2.gz NHDYFAHVCRWDBR-UHFFFAOYSA-N 2 2 378.520 3.592 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001303313131 1047356279 /nfs/dbraw/zinc/35/62/79/1047356279.db2.gz LFRYZXPALVTBJB-DCXXXQMHSA-N 2 2 375.532 3.682 20 0 GHADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(-n4cc[nH+]c4)c(Br)c3)(C1)CCC2 ZINC001279331931 1047770326 /nfs/dbraw/zinc/77/03/26/1047770326.db2.gz ZCLUAIDFIFJOGG-RBUKOAKNSA-N 3 2 389.341 3.789 20 0 GHADLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)cc(F)c1F)CC2 ZINC001279427553 1047803175 /nfs/dbraw/zinc/80/31/75/1047803175.db2.gz WKRTVTOBCPWXLL-UHFFFAOYSA-N 2 2 381.467 3.967 20 0 GHADLP Clc1cnc(Cl)c(C[NH2+][C@@]23CC[C@@]([NH2+]CCn4ccnc4)(C2)CCC3)c1 ZINC001279707993 1047926369 /nfs/dbraw/zinc/92/63/69/1047926369.db2.gz LZGFUPPDEYJVDB-MOPGFXCFSA-N 2 2 394.350 3.810 20 0 GHADLP COc1cc(F)c(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)cc1Cl ZINC001280234506 1048140167 /nfs/dbraw/zinc/14/01/67/1048140167.db2.gz QFCXGFNTUUEFDK-UHFFFAOYSA-N 2 2 377.891 3.914 20 0 GHADLP COC(=O)c1ccc2c(c1)OCC[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC001308148359 1049886093 /nfs/dbraw/zinc/88/60/93/1049886093.db2.gz QEKYKFQWKNJJIQ-UHFFFAOYSA-N 2 2 394.515 3.854 20 0 GHADLP COC(=O)c1ccc2c(c1)OCC[N@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC001308148359 1049886097 /nfs/dbraw/zinc/88/60/97/1049886097.db2.gz QEKYKFQWKNJJIQ-UHFFFAOYSA-N 2 2 394.515 3.854 20 0 GHADLP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001308189440 1049906401 /nfs/dbraw/zinc/90/64/01/1049906401.db2.gz WLFBHAAMUVHJEL-QRVBRYPASA-N 2 2 379.564 3.897 20 0 GHADLP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001308189440 1049906405 /nfs/dbraw/zinc/90/64/05/1049906405.db2.gz WLFBHAAMUVHJEL-QRVBRYPASA-N 2 2 379.564 3.897 20 0 GHADLP COc1ccc(C2([NH2+]Cc3ccc(C[NH+](C)C)c4c3OC(F)(F)O4)CC2)cc1 ZINC001308243976 1049924143 /nfs/dbraw/zinc/92/41/43/1049924143.db2.gz JKAKORVBFPFGNW-UHFFFAOYSA-N 2 2 390.430 3.857 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)[NH+]1CCC[C@@H](C)C1 ZINC001290900174 1049948527 /nfs/dbraw/zinc/94/85/27/1049948527.db2.gz RIAGUNQDQDZIRQ-FUHIMQAGSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)[NH+]1CCC[C@@H](C)C1 ZINC001290900174 1049948529 /nfs/dbraw/zinc/94/85/29/1049948529.db2.gz RIAGUNQDQDZIRQ-FUHIMQAGSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001290900174 1049948531 /nfs/dbraw/zinc/94/85/31/1049948531.db2.gz RIAGUNQDQDZIRQ-FUHIMQAGSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001290900174 1049948534 /nfs/dbraw/zinc/94/85/34/1049948534.db2.gz RIAGUNQDQDZIRQ-FUHIMQAGSA-N 2 2 377.960 3.541 20 0 GHADLP Brc1ccc2ncc(C[NH2+][C@H](Cn3cc[nH+]c3)c3ccccc3)n2c1 ZINC001308499330 1049991253 /nfs/dbraw/zinc/99/12/53/1049991253.db2.gz CXJJGINOOZACRH-GOSISDBHSA-N 2 2 396.292 3.824 20 0 GHADLP FC(F)(F)c1ccc(N2CC([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)cc1 ZINC001308527996 1049999327 /nfs/dbraw/zinc/99/93/27/1049999327.db2.gz WOFRWRKEGOGMNV-UHFFFAOYSA-N 2 2 378.423 3.931 20 0 GHADLP Fc1ccc(C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC2CC2)cc1 ZINC001308604833 1050029158 /nfs/dbraw/zinc/02/91/58/1050029158.db2.gz BJIWGKCDJACFDT-UHFFFAOYSA-N 2 2 398.522 3.949 20 0 GHADLP Fc1ccc(C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC2CC2)cc1 ZINC001308604833 1050029165 /nfs/dbraw/zinc/02/91/65/1050029165.db2.gz BJIWGKCDJACFDT-UHFFFAOYSA-N 2 2 398.522 3.949 20 0 GHADLP FC(F)(F)CC1CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC001308757864 1050083952 /nfs/dbraw/zinc/08/39/52/1050083952.db2.gz IZUWXBOGJPPBEW-UHFFFAOYSA-N 2 2 386.458 3.562 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)CCC1 ZINC001308774516 1050089547 /nfs/dbraw/zinc/08/95/47/1050089547.db2.gz IVUDZCMCZJBPDE-UHFFFAOYSA-N 2 2 387.568 3.934 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)CCC1 ZINC001308774516 1050089550 /nfs/dbraw/zinc/08/95/50/1050089550.db2.gz IVUDZCMCZJBPDE-UHFFFAOYSA-N 2 2 387.568 3.934 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001308841820 1050119224 /nfs/dbraw/zinc/11/92/24/1050119224.db2.gz ZNHOGQJSMZEXPU-COPCDDAFSA-N 2 2 397.563 3.838 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001308841820 1050119227 /nfs/dbraw/zinc/11/92/27/1050119227.db2.gz ZNHOGQJSMZEXPU-COPCDDAFSA-N 2 2 397.563 3.838 20 0 GHADLP COC(=O)c1cccc2c(C[NH2+][C@@H](Cn3cc[nH+]c3)c3ccccc3)ccnc12 ZINC001308916859 1050165662 /nfs/dbraw/zinc/16/56/62/1050165662.db2.gz YAQSSZIGQHDFJW-NRFANRHFSA-N 2 2 386.455 3.749 20 0 GHADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(Br)cc1F ZINC001329965908 1050931606 /nfs/dbraw/zinc/93/16/06/1050931606.db2.gz KRYADSZOZXCDKO-MOPGFXCFSA-N 2 2 399.348 3.754 20 0 GHADLP CCOc1ccc(C[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC001331539909 1051319025 /nfs/dbraw/zinc/31/90/25/1051319025.db2.gz QKBATVTWDCCGSI-UHFFFAOYSA-N 2 2 384.520 3.558 20 0 GHADLP CCOc1ccc(C[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC001331539909 1051319031 /nfs/dbraw/zinc/31/90/31/1051319031.db2.gz QKBATVTWDCCGSI-UHFFFAOYSA-N 2 2 384.520 3.558 20 0 GHADLP CC[NH+](CC)CC[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC001313416320 1053048419 /nfs/dbraw/zinc/04/84/19/1053048419.db2.gz RFSZAOVQOUFUMD-BAGYTPMASA-N 2 2 397.567 3.949 20 0 GHADLP COc1ccc([C@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C2CC2)c(F)c1 ZINC001345244198 1054956768 /nfs/dbraw/zinc/95/67/68/1054956768.db2.gz YWRQBFWMEOCGGP-XMMPIXPASA-N 2 2 397.538 3.823 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nnc([C@H](C)C[NH+]2CCC(C)CC2)o1 ZINC001345561411 1055108807 /nfs/dbraw/zinc/10/88/07/1055108807.db2.gz GZBXEKWUOPUEJB-CYBMUJFWSA-N 2 2 389.450 3.890 20 0 GHADLP CN(C(=O)CC(C1CC1)C1CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001319486146 1055279135 /nfs/dbraw/zinc/27/91/35/1055279135.db2.gz JEONQJPKNJMKRS-FCHUYYIVSA-N 2 2 375.601 3.608 20 0 GHADLP CN(C(=O)CC(C1CC1)C1CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001319486146 1055279147 /nfs/dbraw/zinc/27/91/47/1055279147.db2.gz JEONQJPKNJMKRS-FCHUYYIVSA-N 2 2 375.601 3.608 20 0 GHADLP CCc1ccc(-c2nc(=S)n(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)[nH]2)cc1 ZINC001319490661 1055287011 /nfs/dbraw/zinc/28/70/11/1055287011.db2.gz PGQGWHSWMNWLEI-LJQANCHMSA-N 2 2 385.581 3.791 20 0 GHADLP CCc1ccc(-c2nc(=S)n(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)[nH]2)cc1 ZINC001319490661 1055287015 /nfs/dbraw/zinc/28/70/15/1055287015.db2.gz PGQGWHSWMNWLEI-LJQANCHMSA-N 2 2 385.581 3.791 20 0 GHADLP C[C@H](OC1CCCCC1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001320014087 1055597830 /nfs/dbraw/zinc/59/78/30/1055597830.db2.gz OUZSEELWJWZQST-YUXAGFNASA-N 2 2 393.616 3.520 20 0 GHADLP C[C@H](OC1CCCCC1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001320014087 1055597842 /nfs/dbraw/zinc/59/78/42/1055597842.db2.gz OUZSEELWJWZQST-YUXAGFNASA-N 2 2 393.616 3.520 20 0 GHADLP CC(C)(C)c1ccc(N2CCC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)cc1 ZINC000848523816 1057147650 /nfs/dbraw/zinc/14/76/50/1057147650.db2.gz NRKIFOXLXBBYIT-QHCPKHFHSA-N 2 2 385.596 3.796 20 0 GHADLP CCCc1noc2nc(CC)cc(C(=O)Nc3c[nH+]ccc3-n3cc[nH+]c3C)c12 ZINC001325188182 1057286530 /nfs/dbraw/zinc/28/65/30/1057286530.db2.gz UPFURCUKRMPWJR-UHFFFAOYSA-N 2 2 390.447 3.879 20 0 GHADLP [NH2+]=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cccc(OC(F)(F)F)c1 ZINC000849083536 1057586536 /nfs/dbraw/zinc/58/65/36/1057586536.db2.gz XBBDOZFILVIMTQ-UHFFFAOYSA-N 2 2 375.354 3.907 20 0 GHADLP C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[N@@H+]1CCc2sccc2C1 ZINC000849090986 1057589635 /nfs/dbraw/zinc/58/96/35/1057589635.db2.gz WHXQKZFYIPOANQ-ZDUSSCGKSA-N 2 2 396.482 3.828 20 0 GHADLP C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[N@H+]1CCc2sccc2C1 ZINC000849090986 1057589639 /nfs/dbraw/zinc/58/96/39/1057589639.db2.gz WHXQKZFYIPOANQ-ZDUSSCGKSA-N 2 2 396.482 3.828 20 0 GHADLP Cc1cc(NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)[nH+]c2ccccc12 ZINC001338725729 1058750394 /nfs/dbraw/zinc/75/03/94/1058750394.db2.gz GACUPMWJCQEYMF-FQEVSTJZSA-N 2 2 388.515 3.853 20 0 GHADLP Cc1cc(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)[nH+]c2ccccc12 ZINC001338725729 1058750413 /nfs/dbraw/zinc/75/04/13/1058750413.db2.gz GACUPMWJCQEYMF-FQEVSTJZSA-N 2 2 388.515 3.853 20 0 GHADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001450613356 1060635399 /nfs/dbraw/zinc/63/53/99/1060635399.db2.gz ANSJRKAMPQVIKK-UHFFFAOYSA-N 2 2 380.536 3.672 20 0 GHADLP C[C@@H]1C[C@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[NH2+]1 ZINC001341585858 1060760296 /nfs/dbraw/zinc/76/02/96/1060760296.db2.gz NUVVNWCCVIRNQY-WIYYLYMNSA-N 2 2 388.515 3.603 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1)c1ccc(Cl)cc1 ZINC001451883422 1060857757 /nfs/dbraw/zinc/85/77/57/1060857757.db2.gz ZDGQXSXPLJRZLW-BAGYTPMASA-N 2 2 397.950 3.676 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)c1ccc(Cl)cc1 ZINC001451883422 1060857767 /nfs/dbraw/zinc/85/77/67/1060857767.db2.gz ZDGQXSXPLJRZLW-BAGYTPMASA-N 2 2 397.950 3.676 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+]C(C)(C)c3ccccc3)CC2)cc1 ZINC001459438340 1064099467 /nfs/dbraw/zinc/09/94/67/1064099467.db2.gz OCSGEXKYYSMEKS-UHFFFAOYSA-N 2 2 393.575 3.979 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](C)[C@H]3CCCC[C@H]3C)n2)CC1 ZINC001459947560 1064295044 /nfs/dbraw/zinc/29/50/44/1064295044.db2.gz AMXHIQFUYCJMLP-AEFFLSMTSA-N 2 2 378.586 3.824 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](C)[C@H]3CCCC[C@H]3C)n2)CC1 ZINC001459947560 1064295055 /nfs/dbraw/zinc/29/50/55/1064295055.db2.gz AMXHIQFUYCJMLP-AEFFLSMTSA-N 2 2 378.586 3.824 20 0 GHADLP Cc1ccccc1CC(C)(C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001200213456 1065602427 /nfs/dbraw/zinc/60/24/27/1065602427.db2.gz LQSFXWJXHYLQMA-UHFFFAOYSA-N 2 2 382.548 3.817 20 0 GHADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001353422144 1065943079 /nfs/dbraw/zinc/94/30/79/1065943079.db2.gz YJDMZWMXUZECSD-RBUKOAKNSA-N 2 2 389.588 3.505 20 0 GHADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001353422144 1065943083 /nfs/dbraw/zinc/94/30/83/1065943083.db2.gz YJDMZWMXUZECSD-RBUKOAKNSA-N 2 2 389.588 3.505 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001353603902 1066077312 /nfs/dbraw/zinc/07/73/12/1066077312.db2.gz BSTNFPWFKVWOCT-UHFFFAOYSA-N 2 2 389.540 3.767 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC001470007486 1068517234 /nfs/dbraw/zinc/51/72/34/1068517234.db2.gz PUXBIWJBRBRKKR-VQTJNVASSA-N 2 2 379.976 3.614 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC001470007486 1068517245 /nfs/dbraw/zinc/51/72/45/1068517245.db2.gz PUXBIWJBRBRKKR-VQTJNVASSA-N 2 2 379.976 3.614 20 0 GHADLP CCCC[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@H]1CCc2ncsc2C1 ZINC001460337201 1068931807 /nfs/dbraw/zinc/93/18/07/1068931807.db2.gz KHJYOFSBLHNMGI-VQTJNVASSA-N 2 2 387.593 3.595 20 0 GHADLP CCCC[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@H]1CCc2ncsc2C1 ZINC001460337201 1068931810 /nfs/dbraw/zinc/93/18/10/1068931810.db2.gz KHJYOFSBLHNMGI-VQTJNVASSA-N 2 2 387.593 3.595 20 0 GHADLP CCCC[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@H]1CCc2ncsc2C1 ZINC001460337201 1068931815 /nfs/dbraw/zinc/93/18/15/1068931815.db2.gz KHJYOFSBLHNMGI-VQTJNVASSA-N 2 2 387.593 3.595 20 0 GHADLP CCCC[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@H]1CCc2ncsc2C1 ZINC001460337201 1068931818 /nfs/dbraw/zinc/93/18/18/1068931818.db2.gz KHJYOFSBLHNMGI-VQTJNVASSA-N 2 2 387.593 3.595 20 0 GHADLP Cc1[nH]c(C2CC[NH+]([C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)[nH+]c1C ZINC001460794449 1069183328 /nfs/dbraw/zinc/18/33/28/1069183328.db2.gz ZXWKOMSMLSVHMV-GOSISDBHSA-N 2 2 390.890 3.804 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[NH2+]C3([C@H]4CCCCO4)CC3)CC2)cc1 ZINC001460825625 1069203439 /nfs/dbraw/zinc/20/34/39/1069203439.db2.gz BQZRCGJKHLHIGK-HXUWFJFHSA-N 2 2 377.960 3.543 20 0 GHADLP C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001460854137 1069224019 /nfs/dbraw/zinc/22/40/19/1069224019.db2.gz YGPRGZJVPKDYJZ-NMMYMHLASA-N 2 2 380.532 3.869 20 0 GHADLP C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001460854137 1069224031 /nfs/dbraw/zinc/22/40/31/1069224031.db2.gz YGPRGZJVPKDYJZ-NMMYMHLASA-N 2 2 380.532 3.869 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001471709680 1073191645 /nfs/dbraw/zinc/19/16/45/1073191645.db2.gz VALOZHXDVXFDTI-SESVDKBCSA-N 2 2 375.532 3.541 20 0 GHADLP CC[N@H+]1CC[C@H]1CNc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC001472861339 1073699826 /nfs/dbraw/zinc/69/98/26/1073699826.db2.gz AGFKVAJPZNTTPI-INIZCTEOSA-N 2 2 381.549 3.926 20 0 GHADLP OCC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC001473314164 1073917507 /nfs/dbraw/zinc/91/75/07/1073917507.db2.gz SCRBREVASCNIRZ-JOCHJYFZSA-N 2 2 394.003 3.773 20 0 GHADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001473391597 1073946828 /nfs/dbraw/zinc/94/68/28/1073946828.db2.gz QINTUKRRCBKPHU-PMACEKPBSA-N 2 2 377.598 3.587 20 0 GHADLP COc1ccc(NC(=O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1Cl ZINC001473747173 1074121307 /nfs/dbraw/zinc/12/13/07/1074121307.db2.gz MWUQSOUEKHBOFK-GOSISDBHSA-N 2 2 384.867 3.515 20 0 GHADLP CCOC(=O)[C@@H]1C[C@H]1C[NH2+][C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001473844423 1074171181 /nfs/dbraw/zinc/17/11/81/1074171181.db2.gz CZHDHSMIRPBAOI-ONTNHIFESA-N 2 2 392.543 3.834 20 0 GHADLP CCOC(=O)[C@@H]1C[C@H]1C[NH2+][C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001473844423 1074171188 /nfs/dbraw/zinc/17/11/88/1074171188.db2.gz CZHDHSMIRPBAOI-ONTNHIFESA-N 2 2 392.543 3.834 20 0 GHADLP Cn1c[nH+]cc1C1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC001473893899 1074193528 /nfs/dbraw/zinc/19/35/28/1074193528.db2.gz BHTQXTXWQXRNNG-UHFFFAOYSA-N 2 2 380.414 3.647 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001473970285 1074221398 /nfs/dbraw/zinc/22/13/98/1074221398.db2.gz NIIPCXCFJZDNCR-JOCHJYFZSA-N 2 2 399.510 3.650 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001473970285 1074221405 /nfs/dbraw/zinc/22/14/05/1074221405.db2.gz NIIPCXCFJZDNCR-JOCHJYFZSA-N 2 2 399.510 3.650 20 0 GHADLP COc1nsc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1Cl ZINC001474023458 1074239073 /nfs/dbraw/zinc/23/90/73/1074239073.db2.gz ZRLWRXQIEDXSTA-UHFFFAOYSA-N 2 2 380.945 3.630 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820414360 599376979 /nfs/dbraw/zinc/37/69/79/599376979.db2.gz YBVDFHHPMVXFJX-IAGOWNOFSA-N 2 2 376.508 3.743 20 0 GHADLP CCC(CC)(C[NH2+]Cc1cc(-c2nn[nH]n2)cs1)[NH2+][C@@H](C)c1ccccc1 ZINC000820887829 606221315 /nfs/dbraw/zinc/22/13/15/606221315.db2.gz TUQGQYDFDZGHKR-HNNXBMFYSA-N 2 2 384.553 3.927 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3cc(OC)ccc3[nH+]1)C2 ZINC001164807974 720115991 /nfs/dbraw/zinc/11/59/91/720115991.db2.gz DCNAIJQBKALNEU-YADARESESA-N 2 2 395.547 3.737 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3cc(OC)ccc3[nH+]1)C2 ZINC001164807974 720115999 /nfs/dbraw/zinc/11/59/99/720115999.db2.gz DCNAIJQBKALNEU-YADARESESA-N 2 2 395.547 3.737 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C[C@H]1C(F)(F)F ZINC000892648914 837532962 /nfs/dbraw/zinc/53/29/62/837532962.db2.gz HARUKFGIJUXRDX-JJXSEGSLSA-N 2 2 389.462 3.798 20 0 GHADLP CCOc1ccc(Oc2cc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)ccn2)cc1 ZINC000655697218 837686573 /nfs/dbraw/zinc/68/65/73/837686573.db2.gz OQCAOPOIACJFHA-FQEVSTJZSA-N 2 2 397.519 3.616 20 0 GHADLP CCCCc1oc2ccccc2c1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000584412758 834547948 /nfs/dbraw/zinc/54/79/48/834547948.db2.gz YVTNOLBQRRISLM-UHFFFAOYSA-N 2 2 393.535 3.850 20 0 GHADLP CC(C)C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)Nc1nccs1 ZINC000090987508 834624320 /nfs/dbraw/zinc/62/43/20/834624320.db2.gz CRSUBEZPDSFRNP-SFHVURJKSA-N 2 2 378.586 3.883 20 0 GHADLP CCC[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)C1CC[NH2+]CC1 ZINC000261648311 834911885 /nfs/dbraw/zinc/91/18/85/834911885.db2.gz JJRUXBQKEUOGBO-UHFFFAOYSA-N 2 2 388.737 3.505 20 0 GHADLP CCC[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)C1CC[NH2+]CC1 ZINC000261648311 834911894 /nfs/dbraw/zinc/91/18/94/834911894.db2.gz JJRUXBQKEUOGBO-UHFFFAOYSA-N 2 2 388.737 3.505 20 0 GHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)o1 ZINC000512989438 844058694 /nfs/dbraw/zinc/05/86/94/844058694.db2.gz URIXUFYXZPRXMO-YQQQUEKLSA-N 2 2 399.510 3.567 20 0 GHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)o1 ZINC000512989438 844058702 /nfs/dbraw/zinc/05/87/02/844058702.db2.gz URIXUFYXZPRXMO-YQQQUEKLSA-N 2 2 399.510 3.567 20 0 GHADLP Clc1cc(Br)cc2c1CC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295066 835558995 /nfs/dbraw/zinc/55/89/95/835558995.db2.gz RBBUQHSQWOGGLH-KBXCAEBGSA-N 2 2 399.760 3.933 20 0 GHADLP Brc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294532 835559963 /nfs/dbraw/zinc/55/99/63/835559963.db2.gz IEQVELUECRVEHL-MJGOQNOKSA-N 2 2 379.342 3.669 20 0 GHADLP COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1OCCO ZINC000151685278 835727831 /nfs/dbraw/zinc/72/78/31/835727831.db2.gz KINZDZUCFARNIX-IAGOWNOFSA-N 2 2 381.476 3.664 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)C[N@H+](C)Cc3ccccc3)cn2c1 ZINC000579880407 835934063 /nfs/dbraw/zinc/93/40/63/835934063.db2.gz VBQUMCMCJLAMMO-GOSISDBHSA-N 2 2 396.560 3.513 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)C[N@@H+](C)Cc3ccccc3)cn2c1 ZINC000579880407 835934071 /nfs/dbraw/zinc/93/40/71/835934071.db2.gz VBQUMCMCJLAMMO-GOSISDBHSA-N 2 2 396.560 3.513 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(C(F)F)nc1 ZINC000657850437 835934883 /nfs/dbraw/zinc/93/48/83/835934883.db2.gz SWNTUPUCEOAVAS-INIZCTEOSA-N 2 2 391.462 3.581 20 0 GHADLP CC(C)c1[nH+]c(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c2ccccn21 ZINC000584474507 836097091 /nfs/dbraw/zinc/09/70/91/836097091.db2.gz VMOVGXSTFWJRBD-UHFFFAOYSA-N 3 2 392.551 3.995 20 0 GHADLP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180170496 836101087 /nfs/dbraw/zinc/10/10/87/836101087.db2.gz QHXZHBINMBWXEJ-BURNTYAHSA-N 2 2 379.552 3.737 20 0 GHADLP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180170496 836101091 /nfs/dbraw/zinc/10/10/91/836101091.db2.gz QHXZHBINMBWXEJ-BURNTYAHSA-N 2 2 379.552 3.737 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(OC)c1 ZINC000024050850 836261808 /nfs/dbraw/zinc/26/18/08/836261808.db2.gz GJSDTWVWZUYYJL-JOCHJYFZSA-N 2 2 392.503 3.694 20 0 GHADLP Cc1ccccc1CNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000548933350 836292541 /nfs/dbraw/zinc/29/25/41/836292541.db2.gz RKUPBFHYQFNBTJ-QFIPXVFZSA-N 2 2 379.548 3.502 20 0 GHADLP Cc1ccccc1CNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000548933350 836292555 /nfs/dbraw/zinc/29/25/55/836292555.db2.gz RKUPBFHYQFNBTJ-QFIPXVFZSA-N 2 2 379.548 3.502 20 0 GHADLP Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1C(F)(F)F ZINC000174300385 836417933 /nfs/dbraw/zinc/41/79/33/836417933.db2.gz KRETYUCOXQTHHE-UHFFFAOYSA-N 2 2 386.462 3.504 20 0 GHADLP Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1C(F)(F)F ZINC000174300385 836417938 /nfs/dbraw/zinc/41/79/38/836417938.db2.gz KRETYUCOXQTHHE-UHFFFAOYSA-N 2 2 386.462 3.504 20 0 GHADLP CCC1CCC([N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)CC1 ZINC000613470863 836458665 /nfs/dbraw/zinc/45/86/65/836458665.db2.gz GPXPWEIFRNZXDG-UHFFFAOYSA-N 2 2 399.579 3.891 20 0 GHADLP CCC1CCC([N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)CC1 ZINC000613470863 836458668 /nfs/dbraw/zinc/45/86/68/836458668.db2.gz GPXPWEIFRNZXDG-UHFFFAOYSA-N 2 2 399.579 3.891 20 0 GHADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2Cl)C1 ZINC000120791845 836500843 /nfs/dbraw/zinc/50/08/43/836500843.db2.gz VBGMGEVJRUOFPL-OAHLLOKOSA-N 2 2 381.351 3.978 20 0 GHADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2Cl)C1 ZINC000120791845 836500848 /nfs/dbraw/zinc/50/08/48/836500848.db2.gz VBGMGEVJRUOFPL-OAHLLOKOSA-N 2 2 381.351 3.978 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597174 844181226 /nfs/dbraw/zinc/18/12/26/844181226.db2.gz MPPMVAZPIWVGRN-LJQANCHMSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597174 844181234 /nfs/dbraw/zinc/18/12/34/844181234.db2.gz MPPMVAZPIWVGRN-LJQANCHMSA-N 2 2 381.520 3.587 20 0 GHADLP C[C@H](CN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)[NH+]1CCCC[C@H]1C ZINC000511381763 836817321 /nfs/dbraw/zinc/81/73/21/836817321.db2.gz UHWBMEBOKUUHNF-DEPWHIHDSA-N 2 2 379.976 3.564 20 0 GHADLP C[C@H](CN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCC[C@H]1C ZINC000511381763 836817322 /nfs/dbraw/zinc/81/73/22/836817322.db2.gz UHWBMEBOKUUHNF-DEPWHIHDSA-N 2 2 379.976 3.564 20 0 GHADLP C[C@H](CN[C@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1)[N@@H+]1CCCC[C@H]1C ZINC000511381763 836817337 /nfs/dbraw/zinc/81/73/37/836817337.db2.gz UHWBMEBOKUUHNF-DEPWHIHDSA-N 2 2 379.976 3.564 20 0 GHADLP C[C@H](CN[C@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1)[N@H+]1CCCC[C@H]1C ZINC000511381763 836817341 /nfs/dbraw/zinc/81/73/41/836817341.db2.gz UHWBMEBOKUUHNF-DEPWHIHDSA-N 2 2 379.976 3.564 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c(C)nn(-c3ccc(F)cc3F)c1C)CCC2 ZINC000377836549 838038023 /nfs/dbraw/zinc/03/80/23/838038023.db2.gz BSWUAJCZCZNDCO-MRXNPFEDSA-N 2 2 385.462 3.939 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@]3(O)CCCc4ccccc43)CC2)cc1 ZINC000158666258 844311505 /nfs/dbraw/zinc/31/15/05/844311505.db2.gz CVNQXMRPTOIGDZ-DEOSSOPVSA-N 2 2 379.548 3.535 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000415951967 838308314 /nfs/dbraw/zinc/30/83/14/838308314.db2.gz FVDZXEBJZIOFJX-QZTJIDSGSA-N 2 2 376.863 3.505 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000415951967 838308325 /nfs/dbraw/zinc/30/83/25/838308325.db2.gz FVDZXEBJZIOFJX-QZTJIDSGSA-N 2 2 376.863 3.505 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415979257 838345155 /nfs/dbraw/zinc/34/51/55/838345155.db2.gz ZSGWHJFRHCDMKG-UHFFFAOYSA-N 2 2 397.445 3.867 20 0 GHADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000415136790 839263020 /nfs/dbraw/zinc/26/30/20/839263020.db2.gz SDBBXOLPYMTMCM-ZJSXRUAMSA-N 3 2 398.639 3.613 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(-n2ccnc2)cc1 ZINC000163732747 839465190 /nfs/dbraw/zinc/46/51/90/839465190.db2.gz RQRLLAYZXWVXAQ-IBGZPJMESA-N 2 2 376.504 3.555 20 0 GHADLP Cc1cc(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cn2cc[nH+]c12 ZINC000580407542 839503471 /nfs/dbraw/zinc/50/34/71/839503471.db2.gz JNAOURGWCCGDLB-SFHVURJKSA-N 2 2 377.492 3.771 20 0 GHADLP Cc1cc(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cn2cc[nH+]c12 ZINC000580407542 839503479 /nfs/dbraw/zinc/50/34/79/839503479.db2.gz JNAOURGWCCGDLB-SFHVURJKSA-N 2 2 377.492 3.771 20 0 GHADLP CCN(CCOC)c1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC001167426764 839929975 /nfs/dbraw/zinc/92/99/75/839929975.db2.gz YPGRYVZFJUNWIZ-SFTDATJTSA-N 2 2 388.600 3.641 20 0 GHADLP CCN(CCOC)c1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC001167426764 839929978 /nfs/dbraw/zinc/92/99/78/839929978.db2.gz YPGRYVZFJUNWIZ-SFTDATJTSA-N 2 2 388.600 3.641 20 0 GHADLP CCN(CCOC)c1cccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC001167426764 839929986 /nfs/dbraw/zinc/92/99/86/839929986.db2.gz YPGRYVZFJUNWIZ-SFTDATJTSA-N 2 2 388.600 3.641 20 0 GHADLP CCN(CCOC)c1cccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC001167426764 839929994 /nfs/dbraw/zinc/92/99/94/839929994.db2.gz YPGRYVZFJUNWIZ-SFTDATJTSA-N 2 2 388.600 3.641 20 0 GHADLP CCCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1Cl ZINC000511592075 840303471 /nfs/dbraw/zinc/30/34/71/840303471.db2.gz KURMWVWLAJQHJS-UHFFFAOYSA-N 2 2 379.976 3.931 20 0 GHADLP CCCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1Cl ZINC000511592075 840303482 /nfs/dbraw/zinc/30/34/82/840303482.db2.gz KURMWVWLAJQHJS-UHFFFAOYSA-N 2 2 379.976 3.931 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001125480621 840519069 /nfs/dbraw/zinc/51/90/69/840519069.db2.gz QXFJAHJJHUSHGW-KRWDZBQOSA-N 2 2 380.879 3.986 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001125480621 840519079 /nfs/dbraw/zinc/51/90/79/840519079.db2.gz QXFJAHJJHUSHGW-KRWDZBQOSA-N 2 2 380.879 3.986 20 0 GHADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000581006072 840585901 /nfs/dbraw/zinc/58/59/01/840585901.db2.gz YFFVTSDGKJPDGU-AAEUAGOBSA-N 2 2 389.853 3.802 20 0 GHADLP CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000651427028 840644092 /nfs/dbraw/zinc/64/40/92/840644092.db2.gz YUISTGIPWWEKRU-DNVJHFABSA-N 2 2 398.572 3.623 20 0 GHADLP CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000651427028 840644098 /nfs/dbraw/zinc/64/40/98/840644098.db2.gz YUISTGIPWWEKRU-DNVJHFABSA-N 2 2 398.572 3.623 20 0 GHADLP COc1ccc(-n2ccc(C[NH2+][C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)n2)cc1 ZINC000548154073 840649860 /nfs/dbraw/zinc/64/98/60/840649860.db2.gz XFBCQKKKMLVCEP-CTNGQTDRSA-N 2 2 390.531 3.881 20 0 GHADLP COc1ccc(-n2ccc(C[NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2)cc1 ZINC000548154073 840649866 /nfs/dbraw/zinc/64/98/66/840649866.db2.gz XFBCQKKKMLVCEP-CTNGQTDRSA-N 2 2 390.531 3.881 20 0 GHADLP CC(C)C[NH+]1CCC(NC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000043546338 840865007 /nfs/dbraw/zinc/86/50/07/840865007.db2.gz FPXDXJXHFFMZNB-MRXNPFEDSA-N 2 2 393.601 3.617 20 0 GHADLP CC(C)C[NH+]1CCC(NC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000043546338 840865015 /nfs/dbraw/zinc/86/50/15/840865015.db2.gz FPXDXJXHFFMZNB-MRXNPFEDSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000584802748 840915184 /nfs/dbraw/zinc/91/51/84/840915184.db2.gz JMJBOQARARQOFH-MLGOLLRUSA-N 2 2 375.351 3.546 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(CCCc3ccccc3)C2=O)C[C@H]1c1ccccc1 ZINC000581360576 841158375 /nfs/dbraw/zinc/15/83/75/841158375.db2.gz NMOBKDLOYCCYHT-HJOGWXRNSA-N 2 2 391.559 3.645 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(CCCc3ccccc3)C2=O)C[C@H]1c1ccccc1 ZINC000581360576 841158390 /nfs/dbraw/zinc/15/83/90/841158390.db2.gz NMOBKDLOYCCYHT-HJOGWXRNSA-N 2 2 391.559 3.645 20 0 GHADLP COc1ccc([C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)c2ccccn2)cc1 ZINC000652145159 841181503 /nfs/dbraw/zinc/18/15/03/841181503.db2.gz FONADNBPDPFMQR-DEOSSOPVSA-N 2 2 391.515 3.910 20 0 GHADLP Cc1noc(C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)c2ccccc2)n1 ZINC000277102269 844622074 /nfs/dbraw/zinc/62/20/74/844622074.db2.gz LPTLEAFSSVJIOR-QHCPKHFHSA-N 2 2 390.531 3.959 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1cc(Cl)ccc1F ZINC000278843436 841630611 /nfs/dbraw/zinc/63/06/11/841630611.db2.gz JLVFFPIXANNCCA-UHFFFAOYSA-N 2 2 390.890 3.830 20 0 GHADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662791978 841634770 /nfs/dbraw/zinc/63/47/70/841634770.db2.gz UIRZMNQDWDZENU-LAUBAEHRSA-N 2 2 395.522 3.723 20 0 GHADLP CC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000045806540 841794190 /nfs/dbraw/zinc/79/41/90/841794190.db2.gz BIUMFNWCWLOZQR-SFHVURJKSA-N 2 2 385.552 3.804 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430634953 841954326 /nfs/dbraw/zinc/95/43/26/841954326.db2.gz FKDSEQIFDVDURB-FPOVZHCZSA-N 2 2 388.515 3.964 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430634953 841954334 /nfs/dbraw/zinc/95/43/34/841954334.db2.gz FKDSEQIFDVDURB-FPOVZHCZSA-N 2 2 388.515 3.964 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000511997837 842071235 /nfs/dbraw/zinc/07/12/35/842071235.db2.gz WEPNNZSOCPZNPU-MRXNPFEDSA-N 2 2 398.498 3.588 20 0 GHADLP O=C(NCc1ccn2cc[nH+]c2c1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000177944492 861287066 /nfs/dbraw/zinc/28/70/66/861287066.db2.gz FHCNXAFCDWDDCT-UHFFFAOYSA-N 2 2 391.519 3.710 20 0 GHADLP Clc1cccc(-c2noc(CC[NH+]3CCC(Nc4cccc[nH+]4)CC3)n2)c1 ZINC000581870603 842343922 /nfs/dbraw/zinc/34/39/22/842343922.db2.gz WJOTWNYHBVKKDE-UHFFFAOYSA-N 2 2 383.883 3.904 20 0 GHADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000623656197 861300306 /nfs/dbraw/zinc/30/03/06/861300306.db2.gz OXAHBDIXBQMBMU-AWEZNQCLSA-N 2 2 377.330 3.661 20 0 GHADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000623656197 861300324 /nfs/dbraw/zinc/30/03/24/861300324.db2.gz OXAHBDIXBQMBMU-AWEZNQCLSA-N 2 2 377.330 3.661 20 0 GHADLP COc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)c(Br)c1 ZINC000512069037 842399878 /nfs/dbraw/zinc/39/98/78/842399878.db2.gz UZRQITHCQTXUPW-UHFFFAOYSA-N 2 2 381.289 3.948 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000471767897 842425391 /nfs/dbraw/zinc/42/53/91/842425391.db2.gz HULONWYDDKBOHW-FYYLOGMGSA-N 2 2 388.515 3.685 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)[C@](C)([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162017 842654433 /nfs/dbraw/zinc/65/44/33/842654433.db2.gz CTHHAERZBVKTEY-QKNQBKEWSA-N 2 2 389.902 3.605 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)[C@](C)([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162017 842654438 /nfs/dbraw/zinc/65/44/38/842654438.db2.gz CTHHAERZBVKTEY-QKNQBKEWSA-N 2 2 389.902 3.605 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4cc(F)ccc4C3)CC2)cc1 ZINC001168415673 861336838 /nfs/dbraw/zinc/33/68/38/861336838.db2.gz RMKSSBVZHLNUMR-QHCPKHFHSA-N 2 2 396.506 3.724 20 0 GHADLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccnc(Cl)c3)CC2)cc1 ZINC000162824434 842829701 /nfs/dbraw/zinc/82/97/01/842829701.db2.gz FUIVCYYWDDUVQG-KRWDZBQOSA-N 2 2 388.943 3.607 20 0 GHADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662272820 843042675 /nfs/dbraw/zinc/04/26/75/843042675.db2.gz QQIRGCLAWWYYJY-CQSZACIVSA-N 2 2 381.236 3.561 20 0 GHADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662272820 843042688 /nfs/dbraw/zinc/04/26/88/843042688.db2.gz QQIRGCLAWWYYJY-CQSZACIVSA-N 2 2 381.236 3.561 20 0 GHADLP CN(C)C(=O)[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000663305632 843064987 /nfs/dbraw/zinc/06/49/87/843064987.db2.gz AEHJHBOXVMHVPT-PKTZIBPZSA-N 2 2 391.559 3.708 20 0 GHADLP CN(C)C(=O)[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000663305632 843064996 /nfs/dbraw/zinc/06/49/96/843064996.db2.gz AEHJHBOXVMHVPT-PKTZIBPZSA-N 2 2 391.559 3.708 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc(OC)c1OC ZINC000512213838 843108841 /nfs/dbraw/zinc/10/88/41/843108841.db2.gz UHHZLNIFVVZEQT-MSOLQXFVSA-N 2 2 376.541 3.799 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc(OC)c1OC ZINC000512213838 843108844 /nfs/dbraw/zinc/10/88/44/843108844.db2.gz UHHZLNIFVVZEQT-MSOLQXFVSA-N 2 2 376.541 3.799 20 0 GHADLP COc1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc(OC)c1OC ZINC000512213838 843108847 /nfs/dbraw/zinc/10/88/47/843108847.db2.gz UHHZLNIFVVZEQT-MSOLQXFVSA-N 2 2 376.541 3.799 20 0 GHADLP COc1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc(OC)c1OC ZINC000512213838 843108855 /nfs/dbraw/zinc/10/88/55/843108855.db2.gz UHHZLNIFVVZEQT-MSOLQXFVSA-N 2 2 376.541 3.799 20 0 GHADLP Cc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)[NH+]2CCCC2)cc1 ZINC000247667396 843137128 /nfs/dbraw/zinc/13/71/28/843137128.db2.gz QOCURFVYJGPARC-BVSLBCMMSA-N 2 2 395.551 3.621 20 0 GHADLP CCCCc1noc([C@@H](C)[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)n1 ZINC000662328715 843157220 /nfs/dbraw/zinc/15/72/20/843157220.db2.gz TZNFONRQWJHJAN-OAHLLOKOSA-N 2 2 386.544 3.543 20 0 GHADLP CCCCc1noc([C@@H](C)[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)n1 ZINC000662328715 843157223 /nfs/dbraw/zinc/15/72/23/843157223.db2.gz TZNFONRQWJHJAN-OAHLLOKOSA-N 2 2 386.544 3.543 20 0 GHADLP C[N@H+](CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)Cc1ccccc1 ZINC000051123345 843206546 /nfs/dbraw/zinc/20/65/46/843206546.db2.gz WDQBCLNBMYXVRW-UHFFFAOYSA-N 2 2 385.939 3.553 20 0 GHADLP C[N@@H+](CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)Cc1ccccc1 ZINC000051123345 843206555 /nfs/dbraw/zinc/20/65/55/843206555.db2.gz WDQBCLNBMYXVRW-UHFFFAOYSA-N 2 2 385.939 3.553 20 0 GHADLP Cc1cccn2cc(COc3ccc(C[NH+]4CCC([NH+](C)C)CC4)cc3)nc12 ZINC000091671288 843634858 /nfs/dbraw/zinc/63/48/58/843634858.db2.gz GGIQAHPSWRKLPF-UHFFFAOYSA-N 2 2 378.520 3.748 20 0 GHADLP c1ccc(COC2CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000509825394 843900128 /nfs/dbraw/zinc/90/01/28/843900128.db2.gz CQBMUSZNWIVSHZ-UHFFFAOYSA-N 2 2 393.575 3.880 20 0 GHADLP Clc1ccccc1OCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512474874 843934616 /nfs/dbraw/zinc/93/46/16/843934616.db2.gz OBKUWDAHULGHMN-OAQYLSRUSA-N 2 2 399.966 3.611 20 0 GHADLP Clc1ccccc1OCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512474874 843934618 /nfs/dbraw/zinc/93/46/18/843934618.db2.gz OBKUWDAHULGHMN-OAQYLSRUSA-N 2 2 399.966 3.611 20 0 GHADLP CC(C)CC1(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000535875609 844954337 /nfs/dbraw/zinc/95/43/37/844954337.db2.gz ITORLVDLIUILGG-RTWAWAEBSA-N 2 2 392.632 3.791 20 0 GHADLP CC(C)CC1(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000535875609 844954339 /nfs/dbraw/zinc/95/43/39/844954339.db2.gz ITORLVDLIUILGG-RTWAWAEBSA-N 2 2 392.632 3.791 20 0 GHADLP CCN(CCC[NH+]1CCCC1)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000472004365 845309812 /nfs/dbraw/zinc/30/98/12/845309812.db2.gz YDOTYIXDJYBGNK-QGZVFWFLSA-N 2 2 393.601 3.715 20 0 GHADLP CCN(CCC[NH+]1CCCC1)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000472004365 845309824 /nfs/dbraw/zinc/30/98/24/845309824.db2.gz YDOTYIXDJYBGNK-QGZVFWFLSA-N 2 2 393.601 3.715 20 0 GHADLP C[C@H](OC[C@H](O)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000571633765 845477192 /nfs/dbraw/zinc/47/71/92/845477192.db2.gz CGXALFFHORWGKY-HTAPYJJXSA-N 2 2 399.922 3.813 20 0 GHADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000513467219 845490031 /nfs/dbraw/zinc/49/00/31/845490031.db2.gz SCZAXBOTNMRBHC-DOTOQJQBSA-N 2 2 399.398 3.668 20 0 GHADLP Fc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000657292905 845754936 /nfs/dbraw/zinc/75/49/36/845754936.db2.gz FQLYQYWLGWZWDC-UHFFFAOYSA-N 2 2 380.410 3.549 20 0 GHADLP CCOc1c(Cl)cccc1CN1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421383643 846200040 /nfs/dbraw/zinc/20/00/40/846200040.db2.gz ZRUBUIXMMASQLS-UHFFFAOYSA-N 2 2 379.976 3.731 20 0 GHADLP CCOc1c(Cl)cccc1CN1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421383643 846200046 /nfs/dbraw/zinc/20/00/46/846200046.db2.gz ZRUBUIXMMASQLS-UHFFFAOYSA-N 2 2 379.976 3.731 20 0 GHADLP CCOc1c(Cl)cccc1C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421383643 846200051 /nfs/dbraw/zinc/20/00/51/846200051.db2.gz ZRUBUIXMMASQLS-UHFFFAOYSA-N 2 2 379.976 3.731 20 0 GHADLP CCOc1c(Cl)cccc1C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421383643 846200060 /nfs/dbraw/zinc/20/00/60/846200060.db2.gz ZRUBUIXMMASQLS-UHFFFAOYSA-N 2 2 379.976 3.731 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000582091693 846289159 /nfs/dbraw/zinc/28/91/59/846289159.db2.gz FQOJMXJYDHPHLE-DNQXCXABSA-N 2 2 386.543 3.885 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000582091693 846289166 /nfs/dbraw/zinc/28/91/66/846289166.db2.gz FQOJMXJYDHPHLE-DNQXCXABSA-N 2 2 386.543 3.885 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000582091693 846289173 /nfs/dbraw/zinc/28/91/73/846289173.db2.gz FQOJMXJYDHPHLE-DNQXCXABSA-N 2 2 386.543 3.885 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000582091693 846289177 /nfs/dbraw/zinc/28/91/77/846289177.db2.gz FQOJMXJYDHPHLE-DNQXCXABSA-N 2 2 386.543 3.885 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3oc4c(cccc4C)c3C)CC2)CC1 ZINC000422012300 846751502 /nfs/dbraw/zinc/75/15/02/846751502.db2.gz WAZMAAQGOUZJKD-UHFFFAOYSA-N 2 2 383.536 3.682 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3oc4c(cccc4C)c3C)CC2)CC1 ZINC000422012300 846751509 /nfs/dbraw/zinc/75/15/09/846751509.db2.gz WAZMAAQGOUZJKD-UHFFFAOYSA-N 2 2 383.536 3.682 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc2c(c1)CCCC2 ZINC000503076916 846779229 /nfs/dbraw/zinc/77/92/29/846779229.db2.gz WGRWEYXMAOFAGD-XQQXVUDOSA-N 2 2 394.563 3.911 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc2c(c1)CCCC2 ZINC000503076916 846779234 /nfs/dbraw/zinc/77/92/34/846779234.db2.gz WGRWEYXMAOFAGD-XQQXVUDOSA-N 2 2 394.563 3.911 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)c3c(C)cccc3C)CC2)CC1 ZINC000422187656 846890300 /nfs/dbraw/zinc/89/03/00/846890300.db2.gz RTHBZNMEHVIQGP-HXUWFJFHSA-N 2 2 386.584 3.566 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](C)c3c(C)cccc3C)CC2)CC1 ZINC000422187656 846890312 /nfs/dbraw/zinc/89/03/12/846890312.db2.gz RTHBZNMEHVIQGP-HXUWFJFHSA-N 2 2 386.584 3.566 20 0 GHADLP Clc1cc(I)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000501406629 846909735 /nfs/dbraw/zinc/90/97/35/846909735.db2.gz OSIUAACJDMSMIR-KBPBESRZSA-N 2 2 390.696 3.661 20 0 GHADLP Clc1cc(I)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000501406629 846909741 /nfs/dbraw/zinc/90/97/41/846909741.db2.gz OSIUAACJDMSMIR-KBPBESRZSA-N 2 2 390.696 3.661 20 0 GHADLP Cc1ccccc1NC(=O)C[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272160917 847005410 /nfs/dbraw/zinc/00/54/10/847005410.db2.gz BSQMTQASNNJNMZ-SFHVURJKSA-N 2 2 395.551 3.750 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420398340 847160332 /nfs/dbraw/zinc/16/03/32/847160332.db2.gz GYKLEUGKDPKGDM-JUXOCIIHSA-N 2 2 381.520 3.600 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420398340 847160346 /nfs/dbraw/zinc/16/03/46/847160346.db2.gz GYKLEUGKDPKGDM-JUXOCIIHSA-N 2 2 381.520 3.600 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420398347 847160427 /nfs/dbraw/zinc/16/04/27/847160427.db2.gz GYKLEUGKDPKGDM-LZNRXBQRSA-N 2 2 381.520 3.600 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420398347 847160432 /nfs/dbraw/zinc/16/04/32/847160432.db2.gz GYKLEUGKDPKGDM-LZNRXBQRSA-N 2 2 381.520 3.600 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000563351851 847178242 /nfs/dbraw/zinc/17/82/42/847178242.db2.gz BGCVQEGHOWHCEH-CQSZACIVSA-N 2 2 387.281 3.827 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000563351851 847178244 /nfs/dbraw/zinc/17/82/44/847178244.db2.gz BGCVQEGHOWHCEH-CQSZACIVSA-N 2 2 387.281 3.827 20 0 GHADLP Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420936404 847555751 /nfs/dbraw/zinc/55/57/51/847555751.db2.gz MVRMNLXEURNZOJ-QHCPKHFHSA-N 2 2 390.531 3.743 20 0 GHADLP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420936404 847555762 /nfs/dbraw/zinc/55/57/62/847555762.db2.gz MVRMNLXEURNZOJ-QHCPKHFHSA-N 2 2 390.531 3.743 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1Cl ZINC000475008837 861807590 /nfs/dbraw/zinc/80/75/90/861807590.db2.gz IDMCXDJVIAWUGS-IBGZPJMESA-N 2 2 399.926 3.870 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1CCC[C@H]2CCCC[C@H]21 ZINC000503403720 847667633 /nfs/dbraw/zinc/66/76/33/847667633.db2.gz DOJQVQFPZVNJJS-SVFBPWRDSA-N 2 2 384.568 3.580 20 0 GHADLP O=C(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1CCC[C@H]2CCCC[C@H]21 ZINC000503403720 847667637 /nfs/dbraw/zinc/66/76/37/847667637.db2.gz DOJQVQFPZVNJJS-SVFBPWRDSA-N 2 2 384.568 3.580 20 0 GHADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCCOc3ccc4c(c3)OCO4)C2)n2c1CCCC2 ZINC000503412066 847676379 /nfs/dbraw/zinc/67/63/79/847676379.db2.gz LADQMOVENOKGQK-QGZVFWFLSA-N 2 2 383.492 3.597 20 0 GHADLP c1[nH+]c([C@@H]2CCC[N@H+](CCCOc3ccc4c(c3)OCO4)C2)n2c1CCCC2 ZINC000503412066 847676389 /nfs/dbraw/zinc/67/63/89/847676389.db2.gz LADQMOVENOKGQK-QGZVFWFLSA-N 2 2 383.492 3.597 20 0 GHADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000422632150 847742450 /nfs/dbraw/zinc/74/24/50/847742450.db2.gz GIGWUMNNWCDHTE-IJLUTSLNSA-N 2 2 377.838 3.603 20 0 GHADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000422632150 847742457 /nfs/dbraw/zinc/74/24/57/847742457.db2.gz GIGWUMNNWCDHTE-IJLUTSLNSA-N 2 2 377.838 3.603 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1)C[C@@H]1CCCCO1 ZINC000503493732 847747639 /nfs/dbraw/zinc/74/76/39/847747639.db2.gz XKFGWWIHOLOTEA-FQEVSTJZSA-N 2 2 384.524 3.761 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1)C[C@@H]1CCCCO1 ZINC000503493732 847747648 /nfs/dbraw/zinc/74/76/48/847747648.db2.gz XKFGWWIHOLOTEA-FQEVSTJZSA-N 2 2 384.524 3.761 20 0 GHADLP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422697885 847772521 /nfs/dbraw/zinc/77/25/21/847772521.db2.gz WPAWDIRBCCCHLG-RTWAWAEBSA-N 3 2 383.536 3.650 20 0 GHADLP Brc1ccc2nc(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)cn2c1 ZINC000422731635 847787493 /nfs/dbraw/zinc/78/74/93/847787493.db2.gz MBWHSODDPMLYAS-WMZOPIPTSA-N 2 2 385.309 3.680 20 0 GHADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000626062796 847844095 /nfs/dbraw/zinc/84/40/95/847844095.db2.gz GWIGXLKUEDYLRK-UHFFFAOYSA-N 2 2 383.565 3.974 20 0 GHADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000626062796 847844106 /nfs/dbraw/zinc/84/41/06/847844106.db2.gz GWIGXLKUEDYLRK-UHFFFAOYSA-N 2 2 383.565 3.974 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000422835350 847847506 /nfs/dbraw/zinc/84/75/06/847847506.db2.gz IKRKHGSCLXCQLM-YAYWFPAWSA-N 3 2 391.559 3.885 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000422835350 847847509 /nfs/dbraw/zinc/84/75/09/847847509.db2.gz IKRKHGSCLXCQLM-YAYWFPAWSA-N 3 2 391.559 3.885 20 0 GHADLP C[C@@H](NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422895066 847889034 /nfs/dbraw/zinc/88/90/34/847889034.db2.gz VETGBDXMJHSTSB-BEFAXECRSA-N 2 2 380.374 3.534 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000422943959 847907248 /nfs/dbraw/zinc/90/72/48/847907248.db2.gz LSLHTQTZOYGRRS-OUYJLQGDSA-N 3 2 393.575 3.879 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000422943959 847907269 /nfs/dbraw/zinc/90/72/69/847907269.db2.gz LSLHTQTZOYGRRS-OUYJLQGDSA-N 2 2 393.575 3.879 20 0 GHADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000423056584 847955895 /nfs/dbraw/zinc/95/58/95/847955895.db2.gz YOSVUGPJFJMHDD-BEVDRBHNSA-N 2 2 379.470 3.856 20 0 GHADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423056584 847955906 /nfs/dbraw/zinc/95/59/06/847955906.db2.gz YOSVUGPJFJMHDD-BEVDRBHNSA-N 2 2 379.470 3.856 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)CC2)cc1 ZINC000582827783 848495628 /nfs/dbraw/zinc/49/56/28/848495628.db2.gz PTZMFFYSEXCHDQ-YTFSRNRJSA-N 2 2 397.563 3.547 20 0 GHADLP CSc1ccc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000582877090 848617208 /nfs/dbraw/zinc/61/72/08/848617208.db2.gz HWCXVQHYPFYLLF-LJQANCHMSA-N 2 2 387.618 3.862 20 0 GHADLP CSc1ccc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000582877090 848617216 /nfs/dbraw/zinc/61/72/16/848617216.db2.gz HWCXVQHYPFYLLF-LJQANCHMSA-N 2 2 387.618 3.862 20 0 GHADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000162388964 848984330 /nfs/dbraw/zinc/98/43/30/848984330.db2.gz XQMVUMVVPQEKAG-UHFFFAOYSA-N 2 2 390.487 3.533 20 0 GHADLP CCSc1cc(Cl)ccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000123363467 849108655 /nfs/dbraw/zinc/10/86/55/849108655.db2.gz BKOCZHLZVXVXCF-UHFFFAOYSA-N 2 2 396.000 3.740 20 0 GHADLP CCCCCN(C)c1ccc(F)cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751272 849630387 /nfs/dbraw/zinc/63/03/87/849630387.db2.gz ORYPNGUYFHHAJW-NRFANRHFSA-N 2 2 377.548 3.795 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@H]2CCN(c3ccccc3F)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423137123 849770241 /nfs/dbraw/zinc/77/02/41/849770241.db2.gz HSINWQVXPSGFQQ-FHZYATBESA-N 2 2 383.511 3.744 20 0 GHADLP COc1ccc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c(Br)c1 ZINC000423192738 849798920 /nfs/dbraw/zinc/79/89/20/849798920.db2.gz VZXNIVVCZKJGST-AWEZNQCLSA-N 2 2 378.314 3.683 20 0 GHADLP COCC[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000504098853 849897621 /nfs/dbraw/zinc/89/76/21/849897621.db2.gz CBOFXAWIHJOKRQ-UHFFFAOYSA-N 2 2 381.314 3.767 20 0 GHADLP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000504098853 849897631 /nfs/dbraw/zinc/89/76/31/849897631.db2.gz CBOFXAWIHJOKRQ-UHFFFAOYSA-N 2 2 381.314 3.767 20 0 GHADLP Cn1cc([C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c2cccc(F)c2)cn1 ZINC000423478574 849941241 /nfs/dbraw/zinc/94/12/41/849941241.db2.gz TYPIBSJARCLBJD-NMNUPHIUSA-N 2 2 396.485 3.771 20 0 GHADLP Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423525966 849968908 /nfs/dbraw/zinc/96/89/08/849968908.db2.gz QBYUINJGJGZVQO-IAQYHMDHSA-N 2 2 396.354 3.520 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000425294216 850177530 /nfs/dbraw/zinc/17/75/30/850177530.db2.gz CZCDYRIBTHQOMZ-SFTDATJTSA-N 2 2 380.536 3.845 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000425294216 850177537 /nfs/dbraw/zinc/17/75/37/850177537.db2.gz CZCDYRIBTHQOMZ-SFTDATJTSA-N 2 2 380.536 3.845 20 0 GHADLP COc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)N(C)C)cc1OC ZINC000180379730 862110601 /nfs/dbraw/zinc/11/06/01/862110601.db2.gz YKQANHOMKPMIFG-DYESRHJHSA-N 2 2 394.519 3.843 20 0 GHADLP CC[C@@H]1C[N@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000647936413 850466741 /nfs/dbraw/zinc/46/67/41/850466741.db2.gz DGKNVGGVNXOQCH-BUVFEPMLSA-N 2 2 385.939 3.605 20 0 GHADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000647936413 850466750 /nfs/dbraw/zinc/46/67/50/850466750.db2.gz DGKNVGGVNXOQCH-BUVFEPMLSA-N 2 2 385.939 3.605 20 0 GHADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000180442157 862142070 /nfs/dbraw/zinc/14/20/70/862142070.db2.gz NVVGMRKUMNKNKE-UHFFFAOYSA-N 2 2 389.503 3.646 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)c1ccccc1 ZINC000487237753 850606388 /nfs/dbraw/zinc/60/63/88/850606388.db2.gz ZCSVTFPLFHRAOH-JOCHJYFZSA-N 2 2 381.520 3.843 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]C3CCC4(CCCO4)CC3)CC2)cc1 ZINC000515229399 850793273 /nfs/dbraw/zinc/79/32/73/850793273.db2.gz RIPRUPVAYOLTGD-UHFFFAOYSA-N 2 2 385.596 3.666 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414840575 850920895 /nfs/dbraw/zinc/92/08/95/850920895.db2.gz XGVXPVZYTUFJAY-CXAGYDPISA-N 2 2 381.398 3.592 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cnn(C)c3C(F)(F)F)C2)s1 ZINC000515487641 851097925 /nfs/dbraw/zinc/09/79/25/851097925.db2.gz KVAPLCUFEFETOM-CQSZACIVSA-N 2 2 386.487 3.763 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cnn(C)c3C(F)(F)F)C2)s1 ZINC000515487641 851097932 /nfs/dbraw/zinc/09/79/32/851097932.db2.gz KVAPLCUFEFETOM-CQSZACIVSA-N 2 2 386.487 3.763 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cnn(C)c3C(F)(F)F)C2)s1 ZINC000515487641 851097944 /nfs/dbraw/zinc/09/79/44/851097944.db2.gz KVAPLCUFEFETOM-CQSZACIVSA-N 2 2 386.487 3.763 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cnn(C)c3C(F)(F)F)C2)s1 ZINC000515487641 851097951 /nfs/dbraw/zinc/09/79/51/851097951.db2.gz KVAPLCUFEFETOM-CQSZACIVSA-N 2 2 386.487 3.763 20 0 GHADLP CC[N@H+](C)[C@@H](C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000110722234 851394194 /nfs/dbraw/zinc/39/41/94/851394194.db2.gz QFAGIVLMUVDIKQ-XMSQKQJNSA-N 2 2 381.520 3.711 20 0 GHADLP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000110722234 851394216 /nfs/dbraw/zinc/39/42/16/851394216.db2.gz QFAGIVLMUVDIKQ-XMSQKQJNSA-N 2 2 381.520 3.711 20 0 GHADLP O=C1[C@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCN1c1ccccc1F ZINC000434686543 851477861 /nfs/dbraw/zinc/47/78/61/851477861.db2.gz WDIQBXWPSNHQDM-OAQYLSRUSA-N 2 2 396.510 3.734 20 0 GHADLP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000488413053 851491377 /nfs/dbraw/zinc/49/13/77/851491377.db2.gz USZGRTSGSZPPPF-UHFFFAOYSA-N 2 2 375.476 3.896 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425147877 851496600 /nfs/dbraw/zinc/49/66/00/851496600.db2.gz RYEUKXSLSAUKEW-FCHUYYIVSA-N 2 2 388.515 3.713 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000425147877 851496609 /nfs/dbraw/zinc/49/66/09/851496609.db2.gz RYEUKXSLSAUKEW-FCHUYYIVSA-N 2 2 388.515 3.713 20 0 GHADLP C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241349 851579261 /nfs/dbraw/zinc/57/92/61/851579261.db2.gz LKWQTNJGZJTOAT-OAHLLOKOSA-N 2 2 398.378 3.931 20 0 GHADLP COc1ccc(F)c(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000550121930 851665796 /nfs/dbraw/zinc/66/57/96/851665796.db2.gz BWNWNMVBMYFWNY-HNNXBMFYSA-N 2 2 375.463 3.576 20 0 GHADLP CCC(CC)[C@H](CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[NH+](C)C ZINC000438000567 851937161 /nfs/dbraw/zinc/93/71/61/851937161.db2.gz HNWZRZMBDWRCJU-UWJYYQICSA-N 2 2 390.572 3.568 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550237970 852074099 /nfs/dbraw/zinc/07/40/99/852074099.db2.gz JOJIQUPCQJKNLT-GLDPYIMESA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550237970 852074106 /nfs/dbraw/zinc/07/41/06/852074106.db2.gz JOJIQUPCQJKNLT-GLDPYIMESA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000550237970 852074115 /nfs/dbraw/zinc/07/41/15/852074115.db2.gz JOJIQUPCQJKNLT-GLDPYIMESA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000550237970 852074119 /nfs/dbraw/zinc/07/41/19/852074119.db2.gz JOJIQUPCQJKNLT-GLDPYIMESA-N 2 2 379.548 3.823 20 0 GHADLP C[N@H+](Cc1ccc(Br)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425956787 852112401 /nfs/dbraw/zinc/11/24/01/852112401.db2.gz YKYDLUYYPWSYIA-FQEVSTJZSA-N 2 2 389.337 3.518 20 0 GHADLP C[N@@H+](Cc1ccc(Br)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425956787 852112408 /nfs/dbraw/zinc/11/24/08/852112408.db2.gz YKYDLUYYPWSYIA-FQEVSTJZSA-N 2 2 389.337 3.518 20 0 GHADLP C[NH+](Cc1ccc(Br)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425956787 852112414 /nfs/dbraw/zinc/11/24/14/852112414.db2.gz YKYDLUYYPWSYIA-FQEVSTJZSA-N 2 2 389.337 3.518 20 0 GHADLP C[NH+](Cc1ccc(Br)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425956787 852112420 /nfs/dbraw/zinc/11/24/20/852112420.db2.gz YKYDLUYYPWSYIA-FQEVSTJZSA-N 2 2 389.337 3.518 20 0 GHADLP C[N@H+](Cc1cc(Cl)cc2cccnc21)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425956679 852112581 /nfs/dbraw/zinc/11/25/81/852112581.db2.gz FMEPYDDZISSEID-HSZRJFAPSA-N 2 2 395.934 3.957 20 0 GHADLP C[N@@H+](Cc1cc(Cl)cc2cccnc21)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425956679 852112588 /nfs/dbraw/zinc/11/25/88/852112588.db2.gz FMEPYDDZISSEID-HSZRJFAPSA-N 2 2 395.934 3.957 20 0 GHADLP C[NH+](Cc1cc(Cl)cc2cccnc21)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425956679 852112596 /nfs/dbraw/zinc/11/25/96/852112596.db2.gz FMEPYDDZISSEID-HSZRJFAPSA-N 2 2 395.934 3.957 20 0 GHADLP C[NH+](Cc1cc(Cl)cc2cccnc21)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425956679 852112603 /nfs/dbraw/zinc/11/26/03/852112603.db2.gz FMEPYDDZISSEID-HSZRJFAPSA-N 2 2 395.934 3.957 20 0 GHADLP CN(C)[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccsc1 ZINC000516109750 852177827 /nfs/dbraw/zinc/17/78/27/852177827.db2.gz SAMYFWVAZVAVFU-OAQYLSRUSA-N 2 2 375.557 3.787 20 0 GHADLP C[NH+](C)[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccsc1 ZINC000516109750 852177834 /nfs/dbraw/zinc/17/78/34/852177834.db2.gz SAMYFWVAZVAVFU-OAQYLSRUSA-N 2 2 375.557 3.787 20 0 GHADLP Cc1ccc([C@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[NH+]2CCCC2)cc1 ZINC000489706435 852537298 /nfs/dbraw/zinc/53/72/98/852537298.db2.gz SWSDCAANNJCIAH-QHCPKHFHSA-N 2 2 388.515 3.807 20 0 GHADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000507103841 852562200 /nfs/dbraw/zinc/56/22/00/852562200.db2.gz PCUGSQBXTYEWOC-UHFFFAOYSA-N 2 2 388.515 3.653 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](Cc1ccccc1)C[C@]1(O)CCO[C@@H]1C ZINC000516620865 852803689 /nfs/dbraw/zinc/80/36/89/852803689.db2.gz PJDLYWQPUCMLMN-HYBUGGRVSA-N 2 2 391.515 3.723 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](Cc1ccccc1)C[C@]1(O)CCO[C@@H]1C ZINC000516620865 852803699 /nfs/dbraw/zinc/80/36/99/852803699.db2.gz PJDLYWQPUCMLMN-HYBUGGRVSA-N 2 2 391.515 3.723 20 0 GHADLP O=C(C[C@H]1CC[NH2+]C1)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000427308702 852967289 /nfs/dbraw/zinc/96/72/89/852967289.db2.gz MQZARXHOIDQGOF-JPYJTQIMSA-N 2 2 397.950 3.573 20 0 GHADLP C[C@@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000490566809 853110643 /nfs/dbraw/zinc/11/06/43/853110643.db2.gz PVNMTAGQODFFBN-KSZLIROESA-N 2 2 394.523 3.523 20 0 GHADLP C[C@@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000490566809 853110649 /nfs/dbraw/zinc/11/06/49/853110649.db2.gz PVNMTAGQODFFBN-KSZLIROESA-N 2 2 394.523 3.523 20 0 GHADLP COc1ccccc1-c1ncc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000490579549 853128956 /nfs/dbraw/zinc/12/89/56/853128956.db2.gz MYCMDXYDKRITMT-UHFFFAOYSA-N 2 2 388.515 3.690 20 0 GHADLP COc1ccccc1-c1ncc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000490579549 853128959 /nfs/dbraw/zinc/12/89/59/853128959.db2.gz MYCMDXYDKRITMT-UHFFFAOYSA-N 2 2 388.515 3.690 20 0 GHADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439026008 853197190 /nfs/dbraw/zinc/19/71/90/853197190.db2.gz ZABYTWXTMOGOOT-KRWDZBQOSA-N 2 2 381.524 3.692 20 0 GHADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439026008 853197194 /nfs/dbraw/zinc/19/71/94/853197194.db2.gz ZABYTWXTMOGOOT-KRWDZBQOSA-N 2 2 381.524 3.692 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000187998001 853306277 /nfs/dbraw/zinc/30/62/77/853306277.db2.gz XBBJXFMRXRFIQP-JPYJTQIMSA-N 2 2 398.982 3.593 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000187998001 853306281 /nfs/dbraw/zinc/30/62/81/853306281.db2.gz XBBJXFMRXRFIQP-JPYJTQIMSA-N 2 2 398.982 3.593 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)N(Cc1ccccc1)C1CC1 ZINC000491061453 853432055 /nfs/dbraw/zinc/43/20/55/853432055.db2.gz NKCUMYBINXJVDA-JOCHJYFZSA-N 2 2 383.580 3.766 20 0 GHADLP O=C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)N(Cc1ccccc1)C1CC1 ZINC000491061453 853432067 /nfs/dbraw/zinc/43/20/67/853432067.db2.gz NKCUMYBINXJVDA-JOCHJYFZSA-N 2 2 383.580 3.766 20 0 GHADLP C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000570921566 853669971 /nfs/dbraw/zinc/66/99/71/853669971.db2.gz BUAHUCKDXRTCMG-OAHLLOKOSA-N 2 2 388.899 3.595 20 0 GHADLP CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000520218929 853970040 /nfs/dbraw/zinc/97/00/40/853970040.db2.gz INPYPZCRPUKAAN-JOCHJYFZSA-N 2 2 393.531 3.758 20 0 GHADLP CN(C(=O)c1cccc2cc[nH]c21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000571704353 853993856 /nfs/dbraw/zinc/99/38/56/853993856.db2.gz VNEJGKGWUCBGEU-NHCUHLMSSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1cccc2cc[nH]c21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000571704353 853993864 /nfs/dbraw/zinc/99/38/64/853993864.db2.gz VNEJGKGWUCBGEU-NHCUHLMSSA-N 2 2 382.552 3.577 20 0 GHADLP CCC1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCC(F)(F)CC1 ZINC000669252139 854123063 /nfs/dbraw/zinc/12/30/63/854123063.db2.gz JEHLXWZGENVFPT-UHFFFAOYSA-N 2 2 385.543 3.659 20 0 GHADLP O=C([C@H](c1ccccc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCCCC1 ZINC000441397697 854179700 /nfs/dbraw/zinc/17/97/00/854179700.db2.gz FPTHFPRCLXSYCI-PUHATCMVSA-N 2 2 381.564 3.689 20 0 GHADLP O=C([C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCCCC1 ZINC000441397697 854179704 /nfs/dbraw/zinc/17/97/04/854179704.db2.gz FPTHFPRCLXSYCI-PUHATCMVSA-N 2 2 381.564 3.689 20 0 GHADLP O=C([C@H](c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCCCC1 ZINC000441397697 854179709 /nfs/dbraw/zinc/17/97/09/854179709.db2.gz FPTHFPRCLXSYCI-PUHATCMVSA-N 2 2 381.564 3.689 20 0 GHADLP O=C([C@H](c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCCCC1 ZINC000441397697 854179711 /nfs/dbraw/zinc/17/97/11/854179711.db2.gz FPTHFPRCLXSYCI-PUHATCMVSA-N 2 2 381.564 3.689 20 0 GHADLP C[NH+](C)[C@H](C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000129509105 854344113 /nfs/dbraw/zinc/34/41/13/854344113.db2.gz VFRRDEUDQLZLDQ-QHCPKHFHSA-N 2 2 391.515 3.831 20 0 GHADLP C[NH+](C)[C@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC000129509105 854344122 /nfs/dbraw/zinc/34/41/22/854344122.db2.gz VFRRDEUDQLZLDQ-QHCPKHFHSA-N 2 2 391.515 3.831 20 0 GHADLP CC(C)Cn1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000050797663 854358718 /nfs/dbraw/zinc/35/87/18/854358718.db2.gz BDGPUWMIWZBJLW-UHFFFAOYSA-N 2 2 396.579 3.586 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000588689751 854360736 /nfs/dbraw/zinc/36/07/36/854360736.db2.gz QZKOHYFRWLTQNE-MJGOQNOKSA-N 2 2 376.953 3.959 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000588689751 854360742 /nfs/dbraw/zinc/36/07/42/854360742.db2.gz QZKOHYFRWLTQNE-MJGOQNOKSA-N 2 2 376.953 3.959 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000572129978 854407547 /nfs/dbraw/zinc/40/75/47/854407547.db2.gz FPLPUHGZXYUWKO-WOJBJXKFSA-N 2 2 389.902 3.546 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000572129978 854407554 /nfs/dbraw/zinc/40/75/54/854407554.db2.gz FPLPUHGZXYUWKO-WOJBJXKFSA-N 2 2 389.902 3.546 20 0 GHADLP Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)o2)cc1 ZINC000328657864 854492438 /nfs/dbraw/zinc/49/24/38/854492438.db2.gz PWWQDWCAJHSRLD-SFHVURJKSA-N 2 2 377.492 3.957 20 0 GHADLP Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)o2)cc1 ZINC000328657864 854492446 /nfs/dbraw/zinc/49/24/46/854492446.db2.gz PWWQDWCAJHSRLD-SFHVURJKSA-N 2 2 377.492 3.957 20 0 GHADLP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995824 854551912 /nfs/dbraw/zinc/55/19/12/854551912.db2.gz QZSGLNQHSXAMKR-WRURNZQNSA-N 2 2 377.573 3.723 20 0 GHADLP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995824 854551922 /nfs/dbraw/zinc/55/19/22/854551922.db2.gz QZSGLNQHSXAMKR-WRURNZQNSA-N 2 2 377.573 3.723 20 0 GHADLP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995824 854551931 /nfs/dbraw/zinc/55/19/31/854551931.db2.gz QZSGLNQHSXAMKR-WRURNZQNSA-N 2 2 377.573 3.723 20 0 GHADLP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995824 854551937 /nfs/dbraw/zinc/55/19/37/854551937.db2.gz QZSGLNQHSXAMKR-WRURNZQNSA-N 2 2 377.573 3.723 20 0 GHADLP COc1ccc([C@@H]2C[C@@H]([NH2+]CC3CCN(c4cccc[nH+]4)CC3)CCO2)cc1 ZINC001168603723 854675228 /nfs/dbraw/zinc/67/52/28/854675228.db2.gz XOGGMEYYZBZHLB-UNMCSNQZSA-N 2 2 381.520 3.817 20 0 GHADLP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000070448657 854709933 /nfs/dbraw/zinc/70/99/33/854709933.db2.gz FSRDUSHNCLNYFI-JOCHJYFZSA-N 2 2 397.588 3.545 20 0 GHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000070448657 854709938 /nfs/dbraw/zinc/70/99/38/854709938.db2.gz FSRDUSHNCLNYFI-JOCHJYFZSA-N 2 2 397.588 3.545 20 0 GHADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000589199527 854744533 /nfs/dbraw/zinc/74/45/33/854744533.db2.gz GSSQXASUNHJEIR-GOSISDBHSA-N 2 2 379.460 3.846 20 0 GHADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000589199527 854744539 /nfs/dbraw/zinc/74/45/39/854744539.db2.gz GSSQXASUNHJEIR-GOSISDBHSA-N 2 2 379.460 3.846 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)c2)C[C@H](C)O1 ZINC000120911472 855122010 /nfs/dbraw/zinc/12/20/10/855122010.db2.gz QGPMNBBJGWPQCY-KGVIQGDOSA-N 2 2 381.520 3.537 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)c2)C[C@H](C)O1 ZINC000120911472 855122023 /nfs/dbraw/zinc/12/20/23/855122023.db2.gz QGPMNBBJGWPQCY-KGVIQGDOSA-N 2 2 381.520 3.537 20 0 GHADLP CC(C)(C)OC(=O)NCC[N@H+](Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168395270 855181372 /nfs/dbraw/zinc/18/13/72/855181372.db2.gz SUKNGNVZJNXTHO-UHFFFAOYSA-N 2 2 387.568 3.888 20 0 GHADLP CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168395270 855181388 /nfs/dbraw/zinc/18/13/88/855181388.db2.gz SUKNGNVZJNXTHO-UHFFFAOYSA-N 2 2 387.568 3.888 20 0 GHADLP C[C@@H](c1cccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c1)[NH+]1CCOCC1 ZINC000591251303 855825118 /nfs/dbraw/zinc/82/51/18/855825118.db2.gz TUPZEQPDFJVSQV-IBGZPJMESA-N 2 2 393.531 3.928 20 0 GHADLP O=C1[C@@H]([N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCN1Cc1ccccc1 ZINC000760830397 855992045 /nfs/dbraw/zinc/99/20/45/855992045.db2.gz LQLOZFDAMGENIF-PKTZIBPZSA-N 2 2 383.580 3.766 20 0 GHADLP O=C1[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCN1Cc1ccccc1 ZINC000760830397 855992054 /nfs/dbraw/zinc/99/20/54/855992054.db2.gz LQLOZFDAMGENIF-PKTZIBPZSA-N 2 2 383.580 3.766 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000181100248 862750544 /nfs/dbraw/zinc/75/05/44/862750544.db2.gz BPHAHXAPVMRJQW-OAQYLSRUSA-N 2 2 382.552 3.866 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000181100248 862750554 /nfs/dbraw/zinc/75/05/54/862750554.db2.gz BPHAHXAPVMRJQW-OAQYLSRUSA-N 2 2 382.552 3.866 20 0 GHADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000265597349 856070423 /nfs/dbraw/zinc/07/04/23/856070423.db2.gz HEXHGECYJKLNHV-UHFFFAOYSA-N 2 2 393.531 3.675 20 0 GHADLP C[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508898248 856082376 /nfs/dbraw/zinc/08/23/76/856082376.db2.gz PMJPXNSMAWMQTM-UGKGYDQZSA-N 2 2 397.567 3.776 20 0 GHADLP COc1cccc(NC(=O)C[C@@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000895110403 856093583 /nfs/dbraw/zinc/09/35/83/856093583.db2.gz KXBRTISGWFKSMK-ZHALLVOQSA-N 2 2 382.508 3.584 20 0 GHADLP Cc1ccccc1[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC001168656970 856225604 /nfs/dbraw/zinc/22/56/04/856225604.db2.gz JHVRGWSBLXDMAV-QHCPKHFHSA-N 2 2 394.563 3.806 20 0 GHADLP Cc1nc(N2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c2c([nH+]1)CCCC2 ZINC000856534760 881345226 /nfs/dbraw/zinc/34/52/26/881345226.db2.gz BZZREFMBWQUPQE-HXUWFJFHSA-N 2 2 395.551 3.557 20 0 GHADLP CC[N@H+](C)C1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)CC1 ZINC001168575730 856539713 /nfs/dbraw/zinc/53/97/13/856539713.db2.gz YGVAQEBPIKIRFE-HOTGVXAUSA-N 2 2 393.494 3.733 20 0 GHADLP CC[N@@H+](C)C1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)CC1 ZINC001168575730 856539735 /nfs/dbraw/zinc/53/97/35/856539735.db2.gz YGVAQEBPIKIRFE-HOTGVXAUSA-N 2 2 393.494 3.733 20 0 GHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000172685259 856546110 /nfs/dbraw/zinc/54/61/10/856546110.db2.gz ULUHATDEPYWGMJ-HSZRJFAPSA-N 2 2 388.515 3.602 20 0 GHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000172685259 856546116 /nfs/dbraw/zinc/54/61/16/856546116.db2.gz ULUHATDEPYWGMJ-HSZRJFAPSA-N 2 2 388.515 3.602 20 0 GHADLP COc1ccc([C@@H]2C[C@@H](N(c3ccc(C)c[nH+]3)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168677957 856624417 /nfs/dbraw/zinc/62/44/17/856624417.db2.gz ROYWBZHEVKWECM-UNMCSNQZSA-N 2 2 381.520 3.877 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478470 856888747 /nfs/dbraw/zinc/88/87/47/856888747.db2.gz DOYHIJRNQWKAHW-HKUYNNGSSA-N 2 2 381.520 3.684 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478470 856888752 /nfs/dbraw/zinc/88/87/52/856888752.db2.gz DOYHIJRNQWKAHW-HKUYNNGSSA-N 2 2 381.520 3.684 20 0 GHADLP O=C1Nc2ccccc2C12CCC([NH2+][C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)CC2 ZINC000665253010 857017262 /nfs/dbraw/zinc/01/72/62/857017262.db2.gz CXXGIDXAYKGOIH-FIKJNTHVSA-N 2 2 393.506 3.694 20 0 GHADLP Cc1nc(N2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c2c([nH+]1)CCCC2 ZINC000856534760 881345247 /nfs/dbraw/zinc/34/52/47/881345247.db2.gz BZZREFMBWQUPQE-HXUWFJFHSA-N 2 2 395.551 3.557 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)CC2)cc1 ZINC000593292614 857455407 /nfs/dbraw/zinc/45/54/07/857455407.db2.gz JNQXBMDLNDJMGU-QHCPKHFHSA-N 2 2 394.563 3.700 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)CC2)cc1 ZINC000593292614 857455412 /nfs/dbraw/zinc/45/54/12/857455412.db2.gz JNQXBMDLNDJMGU-QHCPKHFHSA-N 2 2 394.563 3.700 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000060559175 857457083 /nfs/dbraw/zinc/45/70/83/857457083.db2.gz QBJWLPWHPUNMEZ-HZPDHXFCSA-N 2 2 390.572 3.605 20 0 GHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000063312907 857608116 /nfs/dbraw/zinc/60/81/16/857608116.db2.gz AWEYIJIUODKPKJ-OAQYLSRUSA-N 2 2 378.520 3.796 20 0 GHADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000063312907 857608119 /nfs/dbraw/zinc/60/81/19/857608119.db2.gz AWEYIJIUODKPKJ-OAQYLSRUSA-N 2 2 378.520 3.796 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C2CCCCC2)cc1 ZINC000675886016 857661104 /nfs/dbraw/zinc/66/11/04/857661104.db2.gz LHYAWISKOBPCJN-GBXCKJPGSA-N 2 2 385.596 3.791 20 0 GHADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000675921728 857665862 /nfs/dbraw/zinc/66/58/62/857665862.db2.gz ZFNOJIVKXHZSLJ-CVDCTZTESA-N 2 2 390.531 3.891 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cn3cc(C)ccc3n2)CC1 ZINC000181642971 862952858 /nfs/dbraw/zinc/95/28/58/862952858.db2.gz NNZBHFGNDVMRPH-SFHVURJKSA-N 2 2 395.526 3.775 20 0 GHADLP COc1ccc(Br)cc1-c1nc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cs1 ZINC000442767260 858128029 /nfs/dbraw/zinc/12/80/29/858128029.db2.gz MJUREZQPADQBFJ-NWDGAFQWSA-N 2 2 396.354 3.750 20 0 GHADLP COc1ccc(Br)cc1-c1nc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cs1 ZINC000442767260 858128037 /nfs/dbraw/zinc/12/80/37/858128037.db2.gz MJUREZQPADQBFJ-NWDGAFQWSA-N 2 2 396.354 3.750 20 0 GHADLP Cc1cccc(C)c1-n1nnnc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158859843 858415452 /nfs/dbraw/zinc/41/54/52/858415452.db2.gz LOXDEIQVYFMNJX-FQEVSTJZSA-N 2 2 396.583 3.756 20 0 GHADLP Cc1cccc(C)c1-n1nnnc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158859843 858415458 /nfs/dbraw/zinc/41/54/58/858415458.db2.gz LOXDEIQVYFMNJX-FQEVSTJZSA-N 2 2 396.583 3.756 20 0 GHADLP CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)cc2)CC1 ZINC000521934713 858460230 /nfs/dbraw/zinc/46/02/30/858460230.db2.gz VZHPCFDIIFBSBI-UHFFFAOYSA-N 2 2 389.503 3.655 20 0 GHADLP CC(C)CN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CCCC1 ZINC000466156970 858517969 /nfs/dbraw/zinc/51/79/69/858517969.db2.gz INLMDZPQJBHBFG-UHFFFAOYSA-N 2 2 378.605 3.547 20 0 GHADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000522063723 858586235 /nfs/dbraw/zinc/58/62/35/858586235.db2.gz ZRQSJGMFJPKGJL-SFHVURJKSA-N 2 2 383.540 3.572 20 0 GHADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000522063723 858586242 /nfs/dbraw/zinc/58/62/42/858586242.db2.gz ZRQSJGMFJPKGJL-SFHVURJKSA-N 2 2 383.540 3.572 20 0 GHADLP C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158955832 858666474 /nfs/dbraw/zinc/66/64/74/858666474.db2.gz PFFQZUORTOEWJI-OALUTQOASA-N 2 2 382.556 3.700 20 0 GHADLP C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158955832 858666482 /nfs/dbraw/zinc/66/64/82/858666482.db2.gz PFFQZUORTOEWJI-OALUTQOASA-N 2 2 382.556 3.700 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(-c2ccccc2F)s1 ZINC000482644650 858719033 /nfs/dbraw/zinc/71/90/33/858719033.db2.gz DUMFGZUMCFGYEJ-YOEHRIQHSA-N 2 2 375.513 3.545 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(-c2ccccc2F)s1 ZINC000482644650 858719041 /nfs/dbraw/zinc/71/90/41/858719041.db2.gz DUMFGZUMCFGYEJ-YOEHRIQHSA-N 2 2 375.513 3.545 20 0 GHADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000183367993 858729454 /nfs/dbraw/zinc/72/94/54/858729454.db2.gz PFTDCSKXDMGNTO-IBGZPJMESA-N 2 2 396.531 3.862 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000522190085 858790778 /nfs/dbraw/zinc/79/07/78/858790778.db2.gz HCVGJCXPCFPDJV-IRXDYDNUSA-N 2 2 398.378 3.581 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000522190085 858790783 /nfs/dbraw/zinc/79/07/83/858790783.db2.gz HCVGJCXPCFPDJV-IRXDYDNUSA-N 2 2 398.378 3.581 20 0 GHADLP Cc1cccn2cc(CCNC(=O)c3cccc(C[NH+]4CCCCC4)c3)[nH+]c12 ZINC000665341027 858797123 /nfs/dbraw/zinc/79/71/23/858797123.db2.gz OBQDFBGJKDOLCE-UHFFFAOYSA-N 2 2 376.504 3.601 20 0 GHADLP OCCC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCc2ccccc21 ZINC000429686613 859005182 /nfs/dbraw/zinc/00/51/82/859005182.db2.gz SKNLSSIRDNUNNT-UKILVPOCSA-N 2 2 394.559 3.649 20 0 GHADLP OCCC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCc2ccccc21 ZINC000429686613 859005188 /nfs/dbraw/zinc/00/51/88/859005188.db2.gz SKNLSSIRDNUNNT-UKILVPOCSA-N 2 2 394.559 3.649 20 0 GHADLP OCCC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCc2ccccc21 ZINC000429686613 859005195 /nfs/dbraw/zinc/00/51/95/859005195.db2.gz SKNLSSIRDNUNNT-UKILVPOCSA-N 2 2 394.559 3.649 20 0 GHADLP OCCC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCc2ccccc21 ZINC000429686613 859005202 /nfs/dbraw/zinc/00/52/02/859005202.db2.gz SKNLSSIRDNUNNT-UKILVPOCSA-N 2 2 394.559 3.649 20 0 GHADLP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)oc1C ZINC000597229263 859364340 /nfs/dbraw/zinc/36/43/40/859364340.db2.gz JATDRJWBKMPIMI-IBGZPJMESA-N 2 2 382.504 3.767 20 0 GHADLP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)oc1C ZINC000597229263 859364346 /nfs/dbraw/zinc/36/43/46/859364346.db2.gz JATDRJWBKMPIMI-IBGZPJMESA-N 2 2 382.504 3.767 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1N(C)C ZINC000429445625 859376503 /nfs/dbraw/zinc/37/65/03/859376503.db2.gz IIIIQWGWUHRUSE-WIYYLYMNSA-N 2 2 385.527 3.833 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1N(C)C ZINC000429445625 859376512 /nfs/dbraw/zinc/37/65/12/859376512.db2.gz IIIIQWGWUHRUSE-WIYYLYMNSA-N 2 2 385.527 3.833 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(Cl)cc3Br)CC[C@@H]21 ZINC000483468712 859394461 /nfs/dbraw/zinc/39/44/61/859394461.db2.gz BYXBHBRGLXBDJV-CJNGLKHVSA-N 2 2 387.749 3.897 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(Cl)cc3Br)CC[C@@H]21 ZINC000483468712 859394468 /nfs/dbraw/zinc/39/44/68/859394468.db2.gz BYXBHBRGLXBDJV-CJNGLKHVSA-N 2 2 387.749 3.897 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccc(Cl)cc3Br)CC[C@@H]21 ZINC000483468712 859394473 /nfs/dbraw/zinc/39/44/73/859394473.db2.gz BYXBHBRGLXBDJV-CJNGLKHVSA-N 2 2 387.749 3.897 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3Br)CC[C@@H]21 ZINC000483468712 859394479 /nfs/dbraw/zinc/39/44/79/859394479.db2.gz BYXBHBRGLXBDJV-CJNGLKHVSA-N 2 2 387.749 3.897 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000509445067 859455575 /nfs/dbraw/zinc/45/55/75/859455575.db2.gz YRLSSQLSSFRHEE-HSZRJFAPSA-N 3 2 389.547 3.966 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000509445067 859455579 /nfs/dbraw/zinc/45/55/79/859455579.db2.gz YRLSSQLSSFRHEE-HSZRJFAPSA-N 3 2 389.547 3.966 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000114177640 859471172 /nfs/dbraw/zinc/47/11/72/859471172.db2.gz SECHRFOJTXYVHD-UHFFFAOYSA-N 2 2 394.544 3.884 20 0 GHADLP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191832182 859506791 /nfs/dbraw/zinc/50/67/91/859506791.db2.gz ROJAVERCVBMCRL-TZIWHRDSSA-N 2 2 398.547 3.954 20 0 GHADLP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191832182 859506798 /nfs/dbraw/zinc/50/67/98/859506798.db2.gz ROJAVERCVBMCRL-TZIWHRDSSA-N 2 2 398.547 3.954 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000764571875 859507196 /nfs/dbraw/zinc/50/71/96/859507196.db2.gz LGFXNJDSOFMZMA-JKSUJKDBSA-N 2 2 384.505 3.656 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(F)c(F)c(F)c3)C2)ccn1 ZINC000856559415 881434856 /nfs/dbraw/zinc/43/48/56/881434856.db2.gz HEFFMLBVIDQTLP-SFHVURJKSA-N 2 2 393.453 3.992 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(F)c(F)c(F)c3)C2)ccn1 ZINC000856559415 881434973 /nfs/dbraw/zinc/43/49/73/881434973.db2.gz HEFFMLBVIDQTLP-SFHVURJKSA-N 2 2 393.453 3.992 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(F)c(F)c(F)c3)C2)ccn1 ZINC000856559415 881435047 /nfs/dbraw/zinc/43/50/47/881435047.db2.gz HEFFMLBVIDQTLP-SFHVURJKSA-N 2 2 393.453 3.992 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(F)c(F)c(F)c3)C2)ccn1 ZINC000856559415 881435125 /nfs/dbraw/zinc/43/51/25/881435125.db2.gz HEFFMLBVIDQTLP-SFHVURJKSA-N 2 2 393.453 3.992 20 0 GHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000484163258 859855877 /nfs/dbraw/zinc/85/58/77/859855877.db2.gz PZDAJEPCFMDVQS-DJPFJPOOSA-N 2 2 388.939 3.882 20 0 GHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000484163258 859855891 /nfs/dbraw/zinc/85/58/91/859855891.db2.gz PZDAJEPCFMDVQS-DJPFJPOOSA-N 2 2 388.939 3.882 20 0 GHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484163261 859856348 /nfs/dbraw/zinc/85/63/48/859856348.db2.gz PZDAJEPCFMDVQS-YRISNDGFSA-N 2 2 388.939 3.882 20 0 GHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484163261 859856355 /nfs/dbraw/zinc/85/63/55/859856355.db2.gz PZDAJEPCFMDVQS-YRISNDGFSA-N 2 2 388.939 3.882 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765250432 859865905 /nfs/dbraw/zinc/86/59/05/859865905.db2.gz MEPSVGCFMSPKOI-LPHOPBHVSA-N 2 2 390.959 3.978 20 0 GHADLP COc1ccc2nc(C[NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)sc2c1 ZINC000474381543 859969545 /nfs/dbraw/zinc/96/95/45/859969545.db2.gz XKJQZABGFMZWRJ-GOSISDBHSA-N 2 2 381.545 3.959 20 0 GHADLP COc1ccc2nc(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)sc2c1 ZINC000474381543 859969555 /nfs/dbraw/zinc/96/95/55/859969555.db2.gz XKJQZABGFMZWRJ-GOSISDBHSA-N 2 2 381.545 3.959 20 0 GHADLP CN(C(=O)c1cc2c(o1)CCCC2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001127906925 860245110 /nfs/dbraw/zinc/24/51/10/860245110.db2.gz WQNCNYSPWDVNHS-PMACEKPBSA-N 2 2 387.568 3.568 20 0 GHADLP CN(C(=O)c1cc2c(o1)CCCC2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001127906925 860245122 /nfs/dbraw/zinc/24/51/22/860245122.db2.gz WQNCNYSPWDVNHS-PMACEKPBSA-N 2 2 387.568 3.568 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccsc1 ZINC000474505549 860255072 /nfs/dbraw/zinc/25/50/72/860255072.db2.gz IZQXGDTWZBFECA-UXHICEINSA-N 2 2 389.540 3.661 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccsc1 ZINC000474505549 860255080 /nfs/dbraw/zinc/25/50/80/860255080.db2.gz IZQXGDTWZBFECA-UXHICEINSA-N 2 2 389.540 3.661 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccsc1 ZINC000474505548 860255583 /nfs/dbraw/zinc/25/55/83/860255583.db2.gz IZQXGDTWZBFECA-PMACEKPBSA-N 2 2 389.540 3.661 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccsc1 ZINC000474505548 860255597 /nfs/dbraw/zinc/25/55/97/860255597.db2.gz IZQXGDTWZBFECA-PMACEKPBSA-N 2 2 389.540 3.661 20 0 GHADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191837767 860375105 /nfs/dbraw/zinc/37/51/05/860375105.db2.gz RBBLCQIAVPPRQR-IRLDBZIGSA-N 2 2 395.547 3.593 20 0 GHADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191837767 860375111 /nfs/dbraw/zinc/37/51/11/860375111.db2.gz RBBLCQIAVPPRQR-IRLDBZIGSA-N 2 2 395.547 3.593 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)NC1(C2CC[NH2+]CC2)CC1 ZINC000904450973 860453395 /nfs/dbraw/zinc/45/33/95/860453395.db2.gz VKLWCCYCZXVFDI-UHFFFAOYSA-N 2 2 379.508 3.540 20 0 GHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccc(C(C)(C)[NH3+])cc3)CC2)c1 ZINC000904575930 860521143 /nfs/dbraw/zinc/52/11/43/860521143.db2.gz DPJAPHNIYIDIJK-QGZVFWFLSA-N 2 2 396.535 3.800 20 0 GHADLP CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](C[NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)O2 ZINC000922792612 860598874 /nfs/dbraw/zinc/59/88/74/860598874.db2.gz VUJRDPKCSWPXIS-WWAKMMQFSA-N 2 2 397.519 3.631 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428990482 860620637 /nfs/dbraw/zinc/62/06/37/860620637.db2.gz ICHSECWVPBIEEV-IQUTYRLHSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428990482 860620640 /nfs/dbraw/zinc/62/06/40/860620640.db2.gz ICHSECWVPBIEEV-IQUTYRLHSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000428990482 860620642 /nfs/dbraw/zinc/62/06/42/860620642.db2.gz ICHSECWVPBIEEV-IQUTYRLHSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000428990482 860620643 /nfs/dbraw/zinc/62/06/43/860620643.db2.gz ICHSECWVPBIEEV-IQUTYRLHSA-N 2 2 384.351 3.587 20 0 GHADLP CCC(CC)n1ccc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)n1 ZINC000856587202 881561383 /nfs/dbraw/zinc/56/13/83/881561383.db2.gz XEDJXBPSNXJDMX-JOCHJYFZSA-N 2 2 385.556 3.744 20 0 GHADLP CCC(CC)n1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)n1 ZINC000856587202 881561393 /nfs/dbraw/zinc/56/13/93/881561393.db2.gz XEDJXBPSNXJDMX-JOCHJYFZSA-N 2 2 385.556 3.744 20 0 GHADLP CCC(CC)n1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)n1 ZINC000856587202 881561405 /nfs/dbraw/zinc/56/14/05/881561405.db2.gz XEDJXBPSNXJDMX-JOCHJYFZSA-N 2 2 385.556 3.744 20 0 GHADLP CCC(CC)n1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)n1 ZINC000856587202 881561423 /nfs/dbraw/zinc/56/14/23/881561423.db2.gz XEDJXBPSNXJDMX-JOCHJYFZSA-N 2 2 385.556 3.744 20 0 GHADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000428993722 860631216 /nfs/dbraw/zinc/63/12/16/860631216.db2.gz ARGNJNUYYNSGNE-UYAOXDASSA-N 2 2 396.362 3.685 20 0 GHADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000428993722 860631220 /nfs/dbraw/zinc/63/12/20/860631220.db2.gz ARGNJNUYYNSGNE-UYAOXDASSA-N 2 2 396.362 3.685 20 0 GHADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000428993722 860631224 /nfs/dbraw/zinc/63/12/24/860631224.db2.gz ARGNJNUYYNSGNE-UYAOXDASSA-N 2 2 396.362 3.685 20 0 GHADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000428993722 860631228 /nfs/dbraw/zinc/63/12/28/860631228.db2.gz ARGNJNUYYNSGNE-UYAOXDASSA-N 2 2 396.362 3.685 20 0 GHADLP Cc1nc2ccc(C[NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)cc2s1 ZINC000494314112 881569687 /nfs/dbraw/zinc/56/96/87/881569687.db2.gz PMOBKRZBMSENAO-UHFFFAOYSA-N 2 2 397.544 3.606 20 0 GHADLP C[NH+]1CCN(C(=[NH2+])Nc2ncc(C(F)(F)F)cc2-c2ccccc2F)CC1 ZINC001168737333 860809560 /nfs/dbraw/zinc/80/95/60/860809560.db2.gz YMARADLQVDTQLZ-UHFFFAOYSA-N 2 2 381.377 3.501 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH+]3Cc3ccccn3)cc2)C1 ZINC000673640375 860830454 /nfs/dbraw/zinc/83/04/54/860830454.db2.gz DLWWPFGTBLVDOW-WMZHIEFXSA-N 2 2 392.547 3.917 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH+]3Cc3ccccn3)cc2)C1 ZINC000673640375 860830467 /nfs/dbraw/zinc/83/04/67/860830467.db2.gz DLWWPFGTBLVDOW-WMZHIEFXSA-N 2 2 392.547 3.917 20 0 GHADLP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)cc2)C1 ZINC000673640375 860830481 /nfs/dbraw/zinc/83/04/81/860830481.db2.gz DLWWPFGTBLVDOW-WMZHIEFXSA-N 2 2 392.547 3.917 20 0 GHADLP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)cc2)C1 ZINC000673640375 860830493 /nfs/dbraw/zinc/83/04/93/860830493.db2.gz DLWWPFGTBLVDOW-WMZHIEFXSA-N 2 2 392.547 3.917 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCCNc1cccc[nH+]1 ZINC000532234632 881587705 /nfs/dbraw/zinc/58/77/05/881587705.db2.gz GDYIFMYPNQQVRL-CQSZACIVSA-N 2 2 380.414 3.909 20 0 GHADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(Br)c(Cl)c2)C[C@@H](C)O1 ZINC000494356313 881587990 /nfs/dbraw/zinc/58/79/90/881587990.db2.gz CTXPMIRHXCZZQD-CHWSQXEVSA-N 2 2 375.738 3.691 20 0 GHADLP CCSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000182130106 863130892 /nfs/dbraw/zinc/13/08/92/863130892.db2.gz CUGYLCFXTOWFCN-MSOLQXFVSA-N 2 2 398.576 3.582 20 0 GHADLP Cc1cc(CNc2nc(N3Cc4ccccc4C3)cc[nH+]2)cc(N2CCCC2)[nH+]1 ZINC000624232261 863232521 /nfs/dbraw/zinc/23/25/21/863232521.db2.gz YATCXNVMZPLRMH-UHFFFAOYSA-N 2 2 386.503 3.913 20 0 GHADLP COCCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1OC ZINC000120625866 881643599 /nfs/dbraw/zinc/64/35/99/881643599.db2.gz WFTQGJIGOZTZGZ-NRFANRHFSA-N 2 2 390.568 3.664 20 0 GHADLP COCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1OC ZINC000120625866 881643604 /nfs/dbraw/zinc/64/36/04/881643604.db2.gz WFTQGJIGOZTZGZ-NRFANRHFSA-N 2 2 390.568 3.664 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC(C)(C)C1 ZINC000444102612 863423161 /nfs/dbraw/zinc/42/31/61/863423161.db2.gz FXKUGVFJZKAFGU-MOPGFXCFSA-N 2 2 392.632 3.697 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606583360 863732147 /nfs/dbraw/zinc/73/21/47/863732147.db2.gz YGOSBSFGBDOAFL-QGZVFWFLSA-N 2 2 377.492 3.888 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606583360 863732149 /nfs/dbraw/zinc/73/21/49/863732149.db2.gz YGOSBSFGBDOAFL-QGZVFWFLSA-N 2 2 377.492 3.888 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000607167861 864131218 /nfs/dbraw/zinc/13/12/18/864131218.db2.gz MFTBUQCZHJRVHS-GMAHTHKFSA-N 2 2 376.500 3.919 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000607167861 864131221 /nfs/dbraw/zinc/13/12/21/864131221.db2.gz MFTBUQCZHJRVHS-GMAHTHKFSA-N 2 2 376.500 3.919 20 0 GHADLP C[C@H](c1ccccc1)N(CC1CCC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607183517 864146698 /nfs/dbraw/zinc/14/66/98/864146698.db2.gz IKTRDPNZHNBAQA-KNQAVFIVSA-N 2 2 398.595 3.728 20 0 GHADLP C[C@H](c1ccccc1)N(CC1CCC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607183517 864146705 /nfs/dbraw/zinc/14/67/05/864146705.db2.gz IKTRDPNZHNBAQA-KNQAVFIVSA-N 2 2 398.595 3.728 20 0 GHADLP CCO[C@@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)[C@@H]1Oc1ccccc1 ZINC000480243234 864307024 /nfs/dbraw/zinc/30/70/24/864307024.db2.gz SAHARGMXSUMJGF-AKFKNWHVSA-N 2 2 391.515 3.689 20 0 GHADLP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056938 864363256 /nfs/dbraw/zinc/36/32/56/864363256.db2.gz KFDDHTPQZLEEND-IUTQVRIDSA-N 3 2 378.564 3.954 20 0 GHADLP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056938 864363267 /nfs/dbraw/zinc/36/32/67/864363267.db2.gz KFDDHTPQZLEEND-IUTQVRIDSA-N 3 2 378.564 3.954 20 0 GHADLP CC(C)C[C@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)[NH2+][C@@H](C)c1ccccc1 ZINC000475291522 864723930 /nfs/dbraw/zinc/72/39/30/864723930.db2.gz PMFPFLPCZXUBMY-GHTZIAJQSA-N 2 2 393.535 3.899 20 0 GHADLP Cc1c([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)nnn1-c1ccccc1 ZINC000480539177 864818858 /nfs/dbraw/zinc/81/88/58/864818858.db2.gz UQBYHOCNLCANOW-SFHVURJKSA-N 2 2 386.503 3.714 20 0 GHADLP CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000554840165 865029471 /nfs/dbraw/zinc/02/94/71/865029471.db2.gz QPWAOGCHIZSDJL-SFHVURJKSA-N 2 2 399.501 3.676 20 0 GHADLP CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554840165 865029476 /nfs/dbraw/zinc/02/94/76/865029476.db2.gz QPWAOGCHIZSDJL-SFHVURJKSA-N 2 2 399.501 3.676 20 0 GHADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000480699765 865134799 /nfs/dbraw/zinc/13/47/99/865134799.db2.gz QNIINVRGYRKIQQ-DXIQSLLYSA-N 2 2 392.609 3.790 20 0 GHADLP Cn1cc[nH+]c1C[C@@H](NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC000608434490 865332022 /nfs/dbraw/zinc/33/20/22/865332022.db2.gz FATZZQXVXRZSCD-RTWAWAEBSA-N 2 2 397.567 3.514 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)[nH+]c12 ZINC000555283144 865814290 /nfs/dbraw/zinc/81/42/90/865814290.db2.gz CWKWCJQVSMPZNQ-GOSISDBHSA-N 2 2 390.531 3.734 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)[nH+]c12 ZINC000555283144 865814302 /nfs/dbraw/zinc/81/43/02/865814302.db2.gz CWKWCJQVSMPZNQ-GOSISDBHSA-N 2 2 390.531 3.734 20 0 GHADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(C(=O)OC)cc1 ZINC000550795396 881912879 /nfs/dbraw/zinc/91/28/79/881912879.db2.gz QUPRFXKHJSBZKY-PKTZIBPZSA-N 2 2 396.531 3.805 20 0 GHADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(C(=O)OC)cc1 ZINC000550795396 881912882 /nfs/dbraw/zinc/91/28/82/881912882.db2.gz QUPRFXKHJSBZKY-PKTZIBPZSA-N 2 2 396.531 3.805 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCc1ccccc1Cl ZINC000481176146 865927497 /nfs/dbraw/zinc/92/74/97/865927497.db2.gz XGZDNZUSXWJOQD-KGVIQGDOSA-N 2 2 399.966 3.845 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCc1ccccc1Cl ZINC000481176146 865927507 /nfs/dbraw/zinc/92/75/07/865927507.db2.gz XGZDNZUSXWJOQD-KGVIQGDOSA-N 2 2 399.966 3.845 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481182637 865944740 /nfs/dbraw/zinc/94/47/40/865944740.db2.gz YULUXMOKGAMTSU-HFMPRLQTSA-N 2 2 393.575 3.842 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481182637 865944756 /nfs/dbraw/zinc/94/47/56/865944756.db2.gz YULUXMOKGAMTSU-HFMPRLQTSA-N 2 2 393.575 3.842 20 0 GHADLP COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183775 865948166 /nfs/dbraw/zinc/94/81/66/865948166.db2.gz SKUJTUJIYOOCSW-CMKODMSKSA-N 2 2 381.520 3.522 20 0 GHADLP COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183775 865948171 /nfs/dbraw/zinc/94/81/71/865948171.db2.gz SKUJTUJIYOOCSW-CMKODMSKSA-N 2 2 381.520 3.522 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001170425437 881924834 /nfs/dbraw/zinc/92/48/34/881924834.db2.gz PFQPBTMSCKTDRP-LJQANCHMSA-N 2 2 382.504 3.696 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+][C@@H]3CC[C@H](C)C[C@@H]3C)n2)CC1 ZINC000481192379 865977317 /nfs/dbraw/zinc/97/73/17/865977317.db2.gz QUHDURZNBCFTGS-XYJFISCASA-N 2 2 378.586 3.728 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C[C@@H]1C(F)(F)F ZINC001168528044 866032637 /nfs/dbraw/zinc/03/26/37/866032637.db2.gz KEVDLQRHPSHVET-OFQRWUPVSA-N 2 2 391.478 3.533 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C[C@@H]1C(F)(F)F ZINC001168528044 866032655 /nfs/dbraw/zinc/03/26/55/866032655.db2.gz KEVDLQRHPSHVET-OFQRWUPVSA-N 2 2 391.478 3.533 20 0 GHADLP Cc1cc2[nH]c(CNc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)cc2c(C)c1 ZINC000478607856 866341592 /nfs/dbraw/zinc/34/15/92/866341592.db2.gz AEBHGULVWYOURF-UHFFFAOYSA-N 2 2 377.536 3.744 20 0 GHADLP C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc21 ZINC000153347361 866370859 /nfs/dbraw/zinc/37/08/59/866370859.db2.gz QYDDPYDZNNNGTG-UHFFFAOYSA-N 2 2 387.487 3.700 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[N@H+](Cc3ccccc3)C[C@H](C)C1)C2 ZINC000456351385 866473162 /nfs/dbraw/zinc/47/31/62/866473162.db2.gz WUUZXIHNDWYFIK-ICSRJNTNSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[N@@H+](Cc3ccccc3)C[C@H](C)C1)C2 ZINC000456351385 866473169 /nfs/dbraw/zinc/47/31/69/866473169.db2.gz WUUZXIHNDWYFIK-ICSRJNTNSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[N@H+](Cc3ccccc3)C[C@H](C)C1)CC2 ZINC000456351385 866473179 /nfs/dbraw/zinc/47/31/79/866473179.db2.gz WUUZXIHNDWYFIK-ICSRJNTNSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[N@@H+](Cc3ccccc3)C[C@H](C)C1)CC2 ZINC000456351385 866473193 /nfs/dbraw/zinc/47/31/93/866473193.db2.gz WUUZXIHNDWYFIK-ICSRJNTNSA-N 2 2 394.563 3.619 20 0 GHADLP C[C@@]1(CNC2CC[NH+](Cc3cccnc3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000152957265 866885748 /nfs/dbraw/zinc/88/57/48/866885748.db2.gz BMNOEKIUHKFFOH-DEOSSOPVSA-N 2 2 378.564 3.690 20 0 GHADLP C[C@@]1(CNC2CC[NH+](Cc3cccnc3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000152957265 866885761 /nfs/dbraw/zinc/88/57/61/866885761.db2.gz BMNOEKIUHKFFOH-DEOSSOPVSA-N 2 2 378.564 3.690 20 0 GHADLP C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[NH+]1CCC(C)CC1 ZINC000151201124 866939005 /nfs/dbraw/zinc/93/90/05/866939005.db2.gz DYCJCOWULLNTHB-BVYCBKJFSA-N 2 2 395.551 3.531 20 0 GHADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000121480516 866958024 /nfs/dbraw/zinc/95/80/24/866958024.db2.gz LUZMHUKIRVPRTH-QHCPKHFHSA-N 2 2 393.531 3.512 20 0 GHADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000121480516 866958034 /nfs/dbraw/zinc/95/80/34/866958034.db2.gz LUZMHUKIRVPRTH-QHCPKHFHSA-N 2 2 393.531 3.512 20 0 GHADLP FC(F)Oc1cc2c(cc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)OCO2 ZINC000553238523 866995629 /nfs/dbraw/zinc/99/56/29/866995629.db2.gz NVWUBSPWMXRMII-UHFFFAOYSA-N 2 2 387.386 3.551 20 0 GHADLP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000153717197 867041066 /nfs/dbraw/zinc/04/10/66/867041066.db2.gz FTGHLPIUNRRPCP-YLJYHZDGSA-N 2 2 382.533 3.658 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000742245383 867155541 /nfs/dbraw/zinc/15/55/41/867155541.db2.gz KXBKENVFHBSVPI-FQEVSTJZSA-N 2 2 375.476 3.569 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000742245383 867155546 /nfs/dbraw/zinc/15/55/46/867155546.db2.gz KXBKENVFHBSVPI-FQEVSTJZSA-N 2 2 375.476 3.569 20 0 GHADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(-c2ccc(Br)cc2)s1 ZINC000154339790 867360343 /nfs/dbraw/zinc/36/03/43/867360343.db2.gz LWLLARCHOOVSEQ-DOMZBBRYSA-N 2 2 383.355 3.751 20 0 GHADLP COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000154407615 867395047 /nfs/dbraw/zinc/39/50/47/867395047.db2.gz AQPQDLSGNKDMPZ-KRWDZBQOSA-N 2 2 394.313 3.580 20 0 GHADLP COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000154407615 867395063 /nfs/dbraw/zinc/39/50/63/867395063.db2.gz AQPQDLSGNKDMPZ-KRWDZBQOSA-N 2 2 394.313 3.580 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(Cl)s1 ZINC000155157566 867775624 /nfs/dbraw/zinc/77/56/24/867775624.db2.gz MGBRTYLMAMDPGN-OAHLLOKOSA-N 2 2 380.941 3.963 20 0 GHADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155181604 867791088 /nfs/dbraw/zinc/79/10/88/867791088.db2.gz FIEQLNHZIONKIA-QFIPXVFZSA-N 2 2 386.923 3.828 20 0 GHADLP C[C@H]([NH2+]C1CCC(C(=O)N2CCSCC2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156011269 868220334 /nfs/dbraw/zinc/22/03/34/868220334.db2.gz FBWNOCRQPLWRPJ-KKXNLOMOSA-N 2 2 398.576 3.657 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000553916814 868460012 /nfs/dbraw/zinc/46/00/12/868460012.db2.gz COHVJCVRFSDBDZ-MRXNPFEDSA-N 2 2 379.533 3.915 20 0 GHADLP O=C(NCCC[NH+]1CCCCCC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000535325578 868552964 /nfs/dbraw/zinc/55/29/64/868552964.db2.gz IFDBKGKPEXFYCP-UHFFFAOYSA-N 2 2 393.535 3.989 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(CC[NH+](C)C)cc3)cn2c1 ZINC000524455549 869076932 /nfs/dbraw/zinc/07/69/32/869076932.db2.gz BQQVZYVIJXCBRD-UHFFFAOYSA-N 2 2 382.533 3.619 20 0 GHADLP Ic1ccccc1[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000539450216 869156801 /nfs/dbraw/zinc/15/68/01/869156801.db2.gz KRJIBTYDVGTLHH-INIZCTEOSA-N 2 2 381.261 3.715 20 0 GHADLP Ic1ccccc1[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000539450216 869156803 /nfs/dbraw/zinc/15/68/03/869156803.db2.gz KRJIBTYDVGTLHH-INIZCTEOSA-N 2 2 381.261 3.715 20 0 GHADLP CCc1ccc([C@H](C)CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460475871 882281419 /nfs/dbraw/zinc/28/14/19/882281419.db2.gz MESWFWPCZGVWJX-HXUWFJFHSA-N 2 2 385.596 3.809 20 0 GHADLP CC[NH+](CC)CCOC(=O)c1cccc(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000793625693 882340749 /nfs/dbraw/zinc/34/07/49/882340749.db2.gz UKBYRLHEMROXPI-UHFFFAOYSA-N 2 2 396.535 3.661 20 0 GHADLP CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000247992983 870258131 /nfs/dbraw/zinc/25/81/31/870258131.db2.gz JPKOQDGEHRWSQN-ZEQRLZLVSA-N 2 2 391.559 3.875 20 0 GHADLP CN(C)C(=O)c1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000247992983 870258141 /nfs/dbraw/zinc/25/81/41/870258141.db2.gz JPKOQDGEHRWSQN-ZEQRLZLVSA-N 2 2 391.559 3.875 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000247992983 870258156 /nfs/dbraw/zinc/25/81/56/870258156.db2.gz JPKOQDGEHRWSQN-ZEQRLZLVSA-N 2 2 391.559 3.875 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000247992983 870258170 /nfs/dbraw/zinc/25/81/70/870258170.db2.gz JPKOQDGEHRWSQN-ZEQRLZLVSA-N 2 2 391.559 3.875 20 0 GHADLP C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000248033556 870266561 /nfs/dbraw/zinc/26/65/61/870266561.db2.gz UHBBYWLCRWPMAJ-SFHVURJKSA-N 2 2 392.503 3.560 20 0 GHADLP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000248033556 870266579 /nfs/dbraw/zinc/26/65/79/870266579.db2.gz UHBBYWLCRWPMAJ-SFHVURJKSA-N 2 2 392.503 3.560 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000462892690 870310110 /nfs/dbraw/zinc/31/01/10/870310110.db2.gz AUJZNPJFJOLLKL-RUCARUNLSA-N 2 2 398.469 3.959 20 0 GHADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000446822272 870461271 /nfs/dbraw/zinc/46/12/71/870461271.db2.gz VUJYSKINUQYOGZ-BJKOFHAPSA-N 2 2 389.547 3.972 20 0 GHADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000446822272 870461291 /nfs/dbraw/zinc/46/12/91/870461291.db2.gz VUJYSKINUQYOGZ-BJKOFHAPSA-N 2 2 389.547 3.972 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000248516358 870469045 /nfs/dbraw/zinc/46/90/45/870469045.db2.gz OUBKFRYDJNPYIP-RMVXJAJNSA-N 2 2 378.582 3.542 20 0 GHADLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc2c1OCCO2 ZINC000538733076 870471840 /nfs/dbraw/zinc/47/18/40/870471840.db2.gz PFKJYXSAIFHUHG-RXVVDRJESA-N 2 2 396.531 3.951 20 0 GHADLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc2c1OCCO2 ZINC000538733076 870471851 /nfs/dbraw/zinc/47/18/51/870471851.db2.gz PFKJYXSAIFHUHG-RXVVDRJESA-N 2 2 396.531 3.951 20 0 GHADLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc2c1OCCO2 ZINC000538733076 870471863 /nfs/dbraw/zinc/47/18/63/870471863.db2.gz PFKJYXSAIFHUHG-RXVVDRJESA-N 2 2 396.531 3.951 20 0 GHADLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc2c1OCCO2 ZINC000538733076 870471872 /nfs/dbraw/zinc/47/18/72/870471872.db2.gz PFKJYXSAIFHUHG-RXVVDRJESA-N 2 2 396.531 3.951 20 0 GHADLP Brc1ccc(Br)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000248587193 870515824 /nfs/dbraw/zinc/51/58/24/870515824.db2.gz YCWGXRATLPGBCJ-KBPBESRZSA-N 2 2 388.147 3.928 20 0 GHADLP Brc1ccc(Br)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000248587193 870515836 /nfs/dbraw/zinc/51/58/36/870515836.db2.gz YCWGXRATLPGBCJ-KBPBESRZSA-N 2 2 388.147 3.928 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168852858 870906992 /nfs/dbraw/zinc/90/69/92/870906992.db2.gz YDIIILOGYXYDFY-HKUYNNGSSA-N 2 2 377.573 3.725 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168852858 870907005 /nfs/dbraw/zinc/90/70/05/870907005.db2.gz YDIIILOGYXYDFY-HKUYNNGSSA-N 2 2 377.573 3.725 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463137390 870984492 /nfs/dbraw/zinc/98/44/92/870984492.db2.gz QPOLIDRTTWBIDG-BWKNWUBXSA-N 2 2 393.575 3.662 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463137390 870984503 /nfs/dbraw/zinc/98/45/03/870984503.db2.gz QPOLIDRTTWBIDG-BWKNWUBXSA-N 2 2 393.575 3.662 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463137390 870984515 /nfs/dbraw/zinc/98/45/15/870984515.db2.gz QPOLIDRTTWBIDG-BWKNWUBXSA-N 3 2 393.575 3.662 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463137390 870984521 /nfs/dbraw/zinc/98/45/21/870984521.db2.gz QPOLIDRTTWBIDG-BWKNWUBXSA-N 3 2 393.575 3.662 20 0 GHADLP COc1cccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)c1 ZINC000463138012 870989788 /nfs/dbraw/zinc/98/97/88/870989788.db2.gz NWGOVPPYPACDSG-APTRMMRNSA-N 2 2 381.564 3.941 20 0 GHADLP COc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)c1 ZINC000463138012 870989803 /nfs/dbraw/zinc/98/98/03/870989803.db2.gz NWGOVPPYPACDSG-APTRMMRNSA-N 2 2 381.564 3.941 20 0 GHADLP COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000463137631 870991064 /nfs/dbraw/zinc/99/10/64/870991064.db2.gz LMWQLVJUXVMPKB-RRPUWOKSSA-N 2 2 381.564 3.941 20 0 GHADLP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)CC1 ZINC000447077197 870993576 /nfs/dbraw/zinc/99/35/76/870993576.db2.gz JYIGVZSHARDKJT-UHFFFAOYSA-N 3 2 394.563 3.575 20 0 GHADLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000463154138 871031622 /nfs/dbraw/zinc/03/16/22/871031622.db2.gz CJJGUBQNNSQGPO-UHFFFAOYSA-N 3 2 399.501 3.668 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H](Cc3ccccc3)CC(C)C)C2)C1 ZINC001169072429 871163711 /nfs/dbraw/zinc/16/37/11/871163711.db2.gz ZXMOQGIOMGENLW-DNQXCXABSA-N 2 2 388.596 3.705 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H](Cc3ccccc3)CC(C)C)C2)C1 ZINC001169072429 871163718 /nfs/dbraw/zinc/16/37/18/871163718.db2.gz ZXMOQGIOMGENLW-DNQXCXABSA-N 2 2 388.596 3.705 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H](Cc3ccccc3)CC(C)C)C2)C1 ZINC001169072429 871163722 /nfs/dbraw/zinc/16/37/22/871163722.db2.gz ZXMOQGIOMGENLW-DNQXCXABSA-N 2 2 388.596 3.705 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H](Cc3ccccc3)CC(C)C)C2)C1 ZINC001169072429 871163728 /nfs/dbraw/zinc/16/37/28/871163728.db2.gz ZXMOQGIOMGENLW-DNQXCXABSA-N 2 2 388.596 3.705 20 0 GHADLP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000539056155 871191657 /nfs/dbraw/zinc/19/16/57/871191657.db2.gz XMXXFOCJLFBJNY-FYYLOGMGSA-N 2 2 397.950 3.866 20 0 GHADLP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+]([C@@H]2C[C@H]4CC[C@@H](C2)[N@H+]4C)CC3)c1 ZINC001169135540 871225080 /nfs/dbraw/zinc/22/50/80/871225080.db2.gz ZEQZWYODJKFAQR-NUNAXRQHSA-N 3 2 397.607 3.998 20 0 GHADLP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+]([C@@H]2C[C@H]4CC[C@@H](C2)[N@@H+]4C)CC3)c1 ZINC001169135540 871225098 /nfs/dbraw/zinc/22/50/98/871225098.db2.gz ZEQZWYODJKFAQR-NUNAXRQHSA-N 3 2 397.607 3.998 20 0 GHADLP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2=O)cc1 ZINC000463249624 871265895 /nfs/dbraw/zinc/26/58/95/871265895.db2.gz WOXITVFSBBDYEX-QDSKXPNFSA-N 2 2 391.559 3.739 20 0 GHADLP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2=O)cc1 ZINC000463249624 871265915 /nfs/dbraw/zinc/26/59/15/871265915.db2.gz WOXITVFSBBDYEX-QDSKXPNFSA-N 2 2 391.559 3.739 20 0 GHADLP OC[C@]1([NH2+]CCC[NH+]2CCC(Cc3ccccc3)CC2)CCOc2ccccc21 ZINC001193772847 871273341 /nfs/dbraw/zinc/27/33/41/871273341.db2.gz LXAFXWKISQOYRV-RUZDIDTESA-N 2 2 394.559 3.591 20 0 GHADLP C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169162130 871274474 /nfs/dbraw/zinc/27/44/74/871274474.db2.gz SHWTWJMGOGCMJY-KCUHQSDYSA-N 2 2 392.385 3.753 20 0 GHADLP C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169162130 871274487 /nfs/dbraw/zinc/27/44/87/871274487.db2.gz SHWTWJMGOGCMJY-KCUHQSDYSA-N 2 2 392.385 3.753 20 0 GHADLP CN(C(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)C(c1ccccc1)c1ccccc1 ZINC000429543054 882539769 /nfs/dbraw/zinc/53/97/69/882539769.db2.gz ZZUJHHJLIJIZQH-JOCHJYFZSA-N 2 2 379.548 3.651 20 0 GHADLP CN(C(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)C(c1ccccc1)c1ccccc1 ZINC000429543054 882539782 /nfs/dbraw/zinc/53/97/82/882539782.db2.gz ZZUJHHJLIJIZQH-JOCHJYFZSA-N 2 2 379.548 3.651 20 0 GHADLP CCOC(=O)N1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)CC1 ZINC001169664498 871732902 /nfs/dbraw/zinc/73/29/02/871732902.db2.gz NMVUYTRQJGJQBL-HXUWFJFHSA-N 2 2 391.531 3.699 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C1)C2 ZINC000526004584 871929286 /nfs/dbraw/zinc/92/92/86/871929286.db2.gz LPNXFQHETJDFSV-GBESFXJTSA-N 2 2 386.584 3.751 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C1)C2 ZINC000526004584 871929296 /nfs/dbraw/zinc/92/92/96/871929296.db2.gz LPNXFQHETJDFSV-GBESFXJTSA-N 2 2 386.584 3.751 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C1)CC2 ZINC000526004584 871929307 /nfs/dbraw/zinc/92/93/07/871929307.db2.gz LPNXFQHETJDFSV-GBESFXJTSA-N 2 2 386.584 3.751 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C1)CC2 ZINC000526004584 871929319 /nfs/dbraw/zinc/92/93/19/871929319.db2.gz LPNXFQHETJDFSV-GBESFXJTSA-N 2 2 386.584 3.751 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(N2CCCC2=O)c1 ZINC000540757536 872069362 /nfs/dbraw/zinc/06/93/62/872069362.db2.gz XKHOYPPLDVFCOK-DYESRHJHSA-N 2 2 393.535 3.522 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540778664 872142365 /nfs/dbraw/zinc/14/23/65/872142365.db2.gz NMOCIAYQPKAQTE-NHCUHLMSSA-N 2 2 397.966 3.703 20 0 GHADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cnc(C(F)(F)F)s3)CC2)C[C@H](C)O1 ZINC000447727628 872168564 /nfs/dbraw/zinc/16/85/64/872168564.db2.gz JRYFUEWMIMPUOZ-OKILXGFUSA-N 2 2 391.503 3.873 20 0 GHADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cnc(C(F)(F)F)s3)CC2)C[C@H](C)O1 ZINC000447727628 872168572 /nfs/dbraw/zinc/16/85/72/872168572.db2.gz JRYFUEWMIMPUOZ-OKILXGFUSA-N 2 2 391.503 3.873 20 0 GHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc2c(c1)CCC(=O)N2 ZINC000540787705 872173723 /nfs/dbraw/zinc/17/37/23/872173723.db2.gz ULBIRGWFPCFUIZ-MRXNPFEDSA-N 2 2 393.535 3.670 20 0 GHADLP CC[N@@H+](Cc1cccc(OCCOC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564624 872273144 /nfs/dbraw/zinc/27/31/44/872273144.db2.gz USSZJZXZMMAKEK-UHFFFAOYSA-N 2 2 383.536 3.845 20 0 GHADLP CC[N@H+](Cc1cccc(OCCOC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564624 872273163 /nfs/dbraw/zinc/27/31/63/872273163.db2.gz USSZJZXZMMAKEK-UHFFFAOYSA-N 2 2 383.536 3.845 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597176 872285909 /nfs/dbraw/zinc/28/59/09/872285909.db2.gz MPPMVAZPIWVGRN-IBGZPJMESA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597176 872285923 /nfs/dbraw/zinc/28/59/23/872285923.db2.gz MPPMVAZPIWVGRN-IBGZPJMESA-N 2 2 381.520 3.587 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C)c1ccccc1 ZINC000122534560 882599644 /nfs/dbraw/zinc/59/96/44/882599644.db2.gz GODSICRLLOXPNW-QHCPKHFHSA-N 2 2 395.547 3.849 20 0 GHADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC001195406201 872366691 /nfs/dbraw/zinc/36/66/91/872366691.db2.gz ZHAZYDMDUSLAQP-UHFFFAOYSA-N 2 2 397.306 3.931 20 0 GHADLP FC(F)c1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000526980734 872408535 /nfs/dbraw/zinc/40/85/35/872408535.db2.gz JYIVORWNEMILBE-UHFFFAOYSA-N 2 2 376.447 3.625 20 0 GHADLP CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000540910368 872467598 /nfs/dbraw/zinc/46/75/98/872467598.db2.gz WAMSGXHBVSNRQC-RXVVDRJESA-N 2 2 389.503 3.565 20 0 GHADLP CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000540910368 872467604 /nfs/dbraw/zinc/46/76/04/872467604.db2.gz WAMSGXHBVSNRQC-RXVVDRJESA-N 2 2 389.503 3.565 20 0 GHADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c1Br ZINC000447932500 872567213 /nfs/dbraw/zinc/56/72/13/872567213.db2.gz SGAPWZGEZSLQRA-UHFFFAOYSA-N 2 2 391.357 3.767 20 0 GHADLP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2nnc(C(C)(C)C)s2)CC1 ZINC000541087778 872894151 /nfs/dbraw/zinc/89/41/51/872894151.db2.gz CABYSYKGAUDWMJ-UHFFFAOYSA-N 2 2 395.617 3.608 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)NC3CCCCCC3)C2)s1 ZINC000572563145 872981322 /nfs/dbraw/zinc/98/13/22/872981322.db2.gz QMQYCHJZTHCUNI-GOSISDBHSA-N 2 2 377.598 3.649 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)NC3CCCCCC3)C2)s1 ZINC000572563145 872981327 /nfs/dbraw/zinc/98/13/27/872981327.db2.gz QMQYCHJZTHCUNI-GOSISDBHSA-N 2 2 377.598 3.649 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)NC3CCCCCC3)C2)s1 ZINC000572563145 872981333 /nfs/dbraw/zinc/98/13/33/872981333.db2.gz QMQYCHJZTHCUNI-GOSISDBHSA-N 2 2 377.598 3.649 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)NC3CCCCCC3)C2)s1 ZINC000572563145 872981340 /nfs/dbraw/zinc/98/13/40/872981340.db2.gz QMQYCHJZTHCUNI-GOSISDBHSA-N 2 2 377.598 3.649 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000541253077 873244503 /nfs/dbraw/zinc/24/45/03/873244503.db2.gz SGDPETNYHVAZIX-PWIZWCRZSA-N 2 2 377.598 3.647 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000541253077 873244519 /nfs/dbraw/zinc/24/45/19/873244519.db2.gz SGDPETNYHVAZIX-PWIZWCRZSA-N 2 2 377.598 3.647 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc(CC[NH+]3CCCC3)cc1)C2 ZINC000527527204 873249075 /nfs/dbraw/zinc/24/90/75/873249075.db2.gz PTPLCFFMBSMBGP-GOSISDBHSA-N 2 2 380.536 3.915 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc(CC[NH+]3CCCC3)cc1)CC2 ZINC000527527204 873249083 /nfs/dbraw/zinc/24/90/83/873249083.db2.gz PTPLCFFMBSMBGP-GOSISDBHSA-N 2 2 380.536 3.915 20 0 GHADLP COc1ccc(Br)c(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000541318549 873362750 /nfs/dbraw/zinc/36/27/50/873362750.db2.gz CMHURZXBFHFOBB-UHFFFAOYSA-N 2 2 378.295 3.995 20 0 GHADLP CC1(C)OCc2cc(C[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)ccc2O1 ZINC000768677220 873448203 /nfs/dbraw/zinc/44/82/03/873448203.db2.gz VTPATQVSPAFGAQ-UHFFFAOYSA-N 2 2 395.547 3.634 20 0 GHADLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2[C@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC001196936064 873488362 /nfs/dbraw/zinc/48/83/62/873488362.db2.gz OZKYVZGPRVQNLB-UNMCSNQZSA-N 2 2 387.543 3.908 20 0 GHADLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2[C@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC001196936064 873488369 /nfs/dbraw/zinc/48/83/69/873488369.db2.gz OZKYVZGPRVQNLB-UNMCSNQZSA-N 2 2 387.543 3.908 20 0 GHADLP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527754794 873561245 /nfs/dbraw/zinc/56/12/45/873561245.db2.gz YZJKOUNBJIHNRO-UUKMXZOPSA-N 2 2 395.547 3.590 20 0 GHADLP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527754794 873561246 /nfs/dbraw/zinc/56/12/46/873561246.db2.gz YZJKOUNBJIHNRO-UUKMXZOPSA-N 2 2 395.547 3.590 20 0 GHADLP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1OCc1cccnc1 ZINC000527805326 873624860 /nfs/dbraw/zinc/62/48/60/873624860.db2.gz HETBVPJYEGECJM-NRFANRHFSA-N 2 2 381.520 3.776 20 0 GHADLP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1OCc1cccnc1 ZINC000527805326 873624866 /nfs/dbraw/zinc/62/48/66/873624866.db2.gz HETBVPJYEGECJM-NRFANRHFSA-N 2 2 381.520 3.776 20 0 GHADLP CC[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000464314958 873637643 /nfs/dbraw/zinc/63/76/43/873637643.db2.gz CDWQWUZIGGUXIR-YTFSRNRJSA-N 2 2 385.596 3.976 20 0 GHADLP CC[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000464314958 873637650 /nfs/dbraw/zinc/63/76/50/873637650.db2.gz CDWQWUZIGGUXIR-YTFSRNRJSA-N 2 2 385.596 3.976 20 0 GHADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1OC ZINC000527948545 873794589 /nfs/dbraw/zinc/79/45/89/873794589.db2.gz LTMKELDTQYAHNH-YLJYHZDGSA-N 2 2 376.541 3.778 20 0 GHADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1OC ZINC000527948545 873794598 /nfs/dbraw/zinc/79/45/98/873794598.db2.gz LTMKELDTQYAHNH-YLJYHZDGSA-N 2 2 376.541 3.778 20 0 GHADLP C[C@H](C[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)NC(=O)OC(C)(C)C ZINC000769683747 874206622 /nfs/dbraw/zinc/20/66/22/874206622.db2.gz AGHKKEJGTZNIQB-LMMKCTJWSA-N 2 2 386.540 3.985 20 0 GHADLP Clc1cccc(N2CCOCC2)c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000449027285 874362989 /nfs/dbraw/zinc/36/29/89/874362989.db2.gz IFQQVOIZUOPQNW-GOSISDBHSA-N 2 2 377.960 3.627 20 0 GHADLP Clc1cccc(N2CCOCC2)c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000449027285 874363003 /nfs/dbraw/zinc/36/30/03/874363003.db2.gz IFQQVOIZUOPQNW-GOSISDBHSA-N 2 2 377.960 3.627 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Br)c2F)[C@H](C)C1 ZINC000449136392 874520903 /nfs/dbraw/zinc/52/09/03/874520903.db2.gz AZYXNJZFRGLCPQ-RHSMWYFYSA-N 2 2 387.337 3.815 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Br)c2F)[C@H](C)C1 ZINC000449136392 874520909 /nfs/dbraw/zinc/52/09/09/874520909.db2.gz AZYXNJZFRGLCPQ-RHSMWYFYSA-N 2 2 387.337 3.815 20 0 GHADLP CC[N@@H+](Cc1nc(-c2ccccc2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808041 874564080 /nfs/dbraw/zinc/56/40/80/874564080.db2.gz WOFSSIMOUOKJFX-UHFFFAOYSA-N 2 2 377.492 3.870 20 0 GHADLP CC[N@H+](Cc1nc(-c2ccccc2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808041 874564086 /nfs/dbraw/zinc/56/40/86/874564086.db2.gz WOFSSIMOUOKJFX-UHFFFAOYSA-N 2 2 377.492 3.870 20 0 GHADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449184567 874576515 /nfs/dbraw/zinc/57/65/15/874576515.db2.gz FCVHYNXEHYCZLF-ROUUACIJSA-N 2 2 393.503 3.556 20 0 GHADLP Ic1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000770376043 874616331 /nfs/dbraw/zinc/61/63/31/874616331.db2.gz UMZLCTWSUWARHJ-CRAIPNDOSA-N 2 2 396.316 3.740 20 0 GHADLP Ic1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000770376043 874616333 /nfs/dbraw/zinc/61/63/33/874616333.db2.gz UMZLCTWSUWARHJ-CRAIPNDOSA-N 2 2 396.316 3.740 20 0 GHADLP Ic1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000770376043 874616338 /nfs/dbraw/zinc/61/63/38/874616338.db2.gz UMZLCTWSUWARHJ-CRAIPNDOSA-N 2 2 396.316 3.740 20 0 GHADLP Ic1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000770376043 874616339 /nfs/dbraw/zinc/61/63/39/874616339.db2.gz UMZLCTWSUWARHJ-CRAIPNDOSA-N 2 2 396.316 3.740 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H]3CCN(C4CCCCC4)C3=O)C2)s1 ZINC000528496983 874630969 /nfs/dbraw/zinc/63/09/69/874630969.db2.gz LKFONVRVXSXFJJ-NQIIRXRSSA-N 2 2 389.609 3.744 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H]3CCN(C4CCCCC4)C3=O)C2)s1 ZINC000528496983 874630978 /nfs/dbraw/zinc/63/09/78/874630978.db2.gz LKFONVRVXSXFJJ-NQIIRXRSSA-N 2 2 389.609 3.744 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H]3CCN(C4CCCCC4)C3=O)C2)s1 ZINC000528496983 874630984 /nfs/dbraw/zinc/63/09/84/874630984.db2.gz LKFONVRVXSXFJJ-NQIIRXRSSA-N 2 2 389.609 3.744 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H]3CCN(C4CCCCC4)C3=O)C2)s1 ZINC000528496983 874630989 /nfs/dbraw/zinc/63/09/89/874630989.db2.gz LKFONVRVXSXFJJ-NQIIRXRSSA-N 2 2 389.609 3.744 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542133223 875032625 /nfs/dbraw/zinc/03/26/25/875032625.db2.gz QALZARSYYVRGSK-GOSISDBHSA-N 2 2 384.524 3.720 20 0 GHADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000529006205 875401454 /nfs/dbraw/zinc/40/14/54/875401454.db2.gz AWHJATIFFWUUPB-HKUYNNGSSA-N 2 2 392.906 3.714 20 0 GHADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000529006205 875401459 /nfs/dbraw/zinc/40/14/59/875401459.db2.gz AWHJATIFFWUUPB-HKUYNNGSSA-N 2 2 392.906 3.714 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc4c(c3)OC(F)(F)O4)[nH+]c2)CC1 ZINC001201272759 875607091 /nfs/dbraw/zinc/60/70/91/875607091.db2.gz BEZIWNRZRBPCBS-UHFFFAOYSA-N 2 2 390.434 3.546 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(Br)c1 ZINC000776155801 875631192 /nfs/dbraw/zinc/63/11/92/875631192.db2.gz ISKNKXDHESPYEW-PBHICJAKSA-N 2 2 397.357 3.752 20 0 GHADLP Cc1nc(NCc2cccc(C(=O)N3CCCC[C@@H]3[C@@H](C)C[NH+](C)C)c2)cc[nH+]1 ZINC001149041202 875660793 /nfs/dbraw/zinc/66/07/93/875660793.db2.gz CQPVQDLHFUMSCF-LAUBAEHRSA-N 2 2 395.551 3.590 20 0 GHADLP CO[C@H](C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000669934476 875660846 /nfs/dbraw/zinc/66/08/46/875660846.db2.gz FVESQEFDMCMYEB-FGZHOGPDSA-N 2 2 388.939 3.596 20 0 GHADLP CO[C@H](C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000669934476 875660850 /nfs/dbraw/zinc/66/08/50/875660850.db2.gz FVESQEFDMCMYEB-FGZHOGPDSA-N 2 2 388.939 3.596 20 0 GHADLP CO[C@H](C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000669934476 875660855 /nfs/dbraw/zinc/66/08/55/875660855.db2.gz FVESQEFDMCMYEB-FGZHOGPDSA-N 2 2 388.939 3.596 20 0 GHADLP CO[C@H](C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000669934476 875660860 /nfs/dbraw/zinc/66/08/60/875660860.db2.gz FVESQEFDMCMYEB-FGZHOGPDSA-N 2 2 388.939 3.596 20 0 GHADLP CSc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000450229735 876125817 /nfs/dbraw/zinc/12/58/17/876125817.db2.gz XSOBENGUKKRDPX-SFTDATJTSA-N 2 2 389.609 3.818 20 0 GHADLP CSc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000450229735 876125821 /nfs/dbraw/zinc/12/58/21/876125821.db2.gz XSOBENGUKKRDPX-SFTDATJTSA-N 2 2 389.609 3.818 20 0 GHADLP FC(F)(F)c1ccc2c(cc[nH+]c2NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000450342481 876296830 /nfs/dbraw/zinc/29/68/30/876296830.db2.gz SDRJRDAEXJKRLU-AWEZNQCLSA-N 2 2 379.426 3.588 20 0 GHADLP CC(C)Oc1ccc2[nH+]ccc(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)c2c1 ZINC000450409557 876371424 /nfs/dbraw/zinc/37/14/24/876371424.db2.gz XQTQZKJZBJQCDX-YOFSQIOKSA-N 3 2 394.563 3.769 20 0 GHADLP CC(C)Oc1ccc2[nH+]ccc(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)c2c1 ZINC000450409557 876371440 /nfs/dbraw/zinc/37/14/40/876371440.db2.gz XQTQZKJZBJQCDX-YOFSQIOKSA-N 3 2 394.563 3.769 20 0 GHADLP CC[NH+](CC)CCSCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000173975049 876755727 /nfs/dbraw/zinc/75/57/27/876755727.db2.gz GJPDIEXHXPBKPZ-UHFFFAOYSA-N 2 2 386.565 3.900 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000174238554 876919386 /nfs/dbraw/zinc/91/93/86/876919386.db2.gz OHHUKXYPODHZSG-KRWDZBQOSA-N 2 2 393.959 3.552 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1Cl ZINC000850512323 876982833 /nfs/dbraw/zinc/98/28/33/876982833.db2.gz ALFBDFHPLXLTBE-RDJZCZTQSA-N 2 2 387.911 3.664 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1Cl ZINC000850512323 876982837 /nfs/dbraw/zinc/98/28/37/876982837.db2.gz ALFBDFHPLXLTBE-RDJZCZTQSA-N 2 2 387.911 3.664 20 0 GHADLP FC(F)(F)c1nc(Cl)ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000787204412 877250938 /nfs/dbraw/zinc/25/09/38/877250938.db2.gz JMHJQTIQNSCKRY-UHFFFAOYSA-N 2 2 391.865 3.688 20 0 GHADLP O=C(OC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000851468420 877725497 /nfs/dbraw/zinc/72/54/97/877725497.db2.gz MMDFRONCNINHQH-QGZVFWFLSA-N 2 2 398.413 3.636 20 0 GHADLP O=C(OC[C@H]1CC[N@H+]1Cc1ccccc1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000851468420 877725506 /nfs/dbraw/zinc/72/55/06/877725506.db2.gz MMDFRONCNINHQH-QGZVFWFLSA-N 2 2 398.413 3.636 20 0 GHADLP C[C@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000477655941 877999049 /nfs/dbraw/zinc/99/90/49/877999049.db2.gz WEMWMZABBVQNQN-KZNAEPCWSA-N 2 2 384.524 3.619 20 0 GHADLP O=C1C[C@@H](c2cccc(F)c2)CN1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788381800 878044805 /nfs/dbraw/zinc/04/48/05/878044805.db2.gz HNKBYNADFNKYCO-LJQANCHMSA-N 2 2 396.510 3.512 20 0 GHADLP O=C1C[C@H](c2cccc(F)c2)CN1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788381796 878044870 /nfs/dbraw/zinc/04/48/70/878044870.db2.gz HNKBYNADFNKYCO-IBGZPJMESA-N 2 2 396.510 3.512 20 0 GHADLP C[C@@]1(C2CCCC2)CC(=O)N(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000788382227 878046989 /nfs/dbraw/zinc/04/69/89/878046989.db2.gz LFTGMCXCPIXOME-HSZRJFAPSA-N 2 2 384.568 3.785 20 0 GHADLP O=C1C[C@H](c2ccc(Cl)cc2)N1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788383369 878047875 /nfs/dbraw/zinc/04/78/75/878047875.db2.gz XLIIUHPHHFHTST-HXUWFJFHSA-N 2 2 398.938 3.983 20 0 GHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2c2cccs2)([NH+]2CCCCC2)CC1 ZINC000176106256 878082553 /nfs/dbraw/zinc/08/25/53/878082553.db2.gz DPDSBTUPIQSEFD-GOSISDBHSA-N 2 2 390.597 3.545 20 0 GHADLP CCCOc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c(C)c1 ZINC001183136142 912323541 /nfs/dbraw/zinc/32/35/41/912323541.db2.gz HGIDRDLDDIAYKJ-XMMPIXPASA-N 2 2 382.548 3.853 20 0 GHADLP CCCOc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c(C)c1 ZINC001183136142 912323551 /nfs/dbraw/zinc/32/35/51/912323551.db2.gz HGIDRDLDDIAYKJ-XMMPIXPASA-N 2 2 382.548 3.853 20 0 GHADLP CCCOc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC001183136142 912323583 /nfs/dbraw/zinc/32/35/83/912323583.db2.gz HGIDRDLDDIAYKJ-XMMPIXPASA-N 2 2 382.548 3.853 20 0 GHADLP CCCOc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC001183136142 912323603 /nfs/dbraw/zinc/32/36/03/912323603.db2.gz HGIDRDLDDIAYKJ-XMMPIXPASA-N 2 2 382.548 3.853 20 0 GHADLP CCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000542465099 878343600 /nfs/dbraw/zinc/34/36/00/878343600.db2.gz TVGBNTXJCIFHGW-GOSISDBHSA-N 2 2 377.492 3.815 20 0 GHADLP CCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000542465099 878343613 /nfs/dbraw/zinc/34/36/13/878343613.db2.gz TVGBNTXJCIFHGW-GOSISDBHSA-N 2 2 377.492 3.815 20 0 GHADLP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000245706290 878430671 /nfs/dbraw/zinc/43/06/71/878430671.db2.gz MIWOXQGDUMGNHL-WOJBJXKFSA-N 2 2 389.902 3.716 20 0 GHADLP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000245706290 878430688 /nfs/dbraw/zinc/43/06/88/878430688.db2.gz MIWOXQGDUMGNHL-WOJBJXKFSA-N 2 2 389.902 3.716 20 0 GHADLP CC[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[NH+](CC)CC ZINC000530814565 878541527 /nfs/dbraw/zinc/54/15/27/878541527.db2.gz XXMMJSINKLNNHG-SFHVURJKSA-N 2 2 386.565 3.760 20 0 GHADLP CC[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[NH+](CC)CC ZINC000530814565 878541549 /nfs/dbraw/zinc/54/15/49/878541549.db2.gz XXMMJSINKLNNHG-SFHVURJKSA-N 2 2 386.565 3.760 20 0 GHADLP Cc1csc(N2CCC([NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)CC2)n1 ZINC000122329825 878754190 /nfs/dbraw/zinc/75/41/90/878754190.db2.gz ZUCMMZBQYDJINQ-UHFFFAOYSA-N 2 2 399.608 3.745 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000616381032 878802405 /nfs/dbraw/zinc/80/24/05/878802405.db2.gz HNSUNECWXWKPHZ-UPVQGACJSA-N 2 2 397.607 3.664 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000616381032 878802419 /nfs/dbraw/zinc/80/24/19/878802419.db2.gz HNSUNECWXWKPHZ-UPVQGACJSA-N 2 2 397.607 3.664 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(Cl)ccc1Cl ZINC000177827962 878873456 /nfs/dbraw/zinc/87/34/56/878873456.db2.gz VKWHLZIGGGBCJS-AWEZNQCLSA-N 2 2 379.335 3.991 20 0 GHADLP C[NH+](C)Cc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCCC3)cc2)cc1 ZINC000789727380 879233186 /nfs/dbraw/zinc/23/31/86/879233186.db2.gz OIWGJDXXFTWONL-UHFFFAOYSA-N 2 2 387.549 3.929 20 0 GHADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000538428494 879464733 /nfs/dbraw/zinc/46/47/33/879464733.db2.gz WLRDZYSSSWYOCB-XZOQPEGZSA-N 2 2 386.503 3.930 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC001183394914 912475702 /nfs/dbraw/zinc/47/57/02/912475702.db2.gz JEDHJJUKVMMQGG-GPUOULLFSA-N 2 2 399.623 3.829 20 0 GHADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC001183394914 912475711 /nfs/dbraw/zinc/47/57/11/912475711.db2.gz JEDHJJUKVMMQGG-GPUOULLFSA-N 2 2 399.623 3.829 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(OC(F)F)cc1 ZINC000538558175 879714244 /nfs/dbraw/zinc/71/42/44/879714244.db2.gz RNOUKUNUPVQAGZ-YOEHRIQHSA-N 2 2 376.451 3.996 20 0 GHADLP CN(C(=O)Nc1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000247005683 879880720 /nfs/dbraw/zinc/88/07/20/879880720.db2.gz UHQXLEIGOKDYCU-WOJBJXKFSA-N 2 2 376.520 3.627 20 0 GHADLP CN(C(=O)Nc1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247005683 879880738 /nfs/dbraw/zinc/88/07/38/879880738.db2.gz UHQXLEIGOKDYCU-WOJBJXKFSA-N 2 2 376.520 3.627 20 0 GHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000247039509 879896861 /nfs/dbraw/zinc/89/68/61/879896861.db2.gz RUPLLJMLKKOPDY-VQTJNVASSA-N 2 2 395.551 3.668 20 0 GHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000247039509 879896880 /nfs/dbraw/zinc/89/68/80/879896880.db2.gz RUPLLJMLKKOPDY-VQTJNVASSA-N 2 2 395.551 3.668 20 0 GHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247059937 879904906 /nfs/dbraw/zinc/90/49/06/879904906.db2.gz ZRFUZNJENHLAMG-YVHKJVDXSA-N 2 2 378.520 3.511 20 0 GHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247059937 879904916 /nfs/dbraw/zinc/90/49/16/879904916.db2.gz ZRFUZNJENHLAMG-YVHKJVDXSA-N 2 2 378.520 3.511 20 0 GHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000247059937 879904920 /nfs/dbraw/zinc/90/49/20/879904920.db2.gz ZRFUZNJENHLAMG-YVHKJVDXSA-N 2 2 378.520 3.511 20 0 GHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000247059937 879904931 /nfs/dbraw/zinc/90/49/31/879904931.db2.gz ZRFUZNJENHLAMG-YVHKJVDXSA-N 2 2 378.520 3.511 20 0 GHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000140391165 879953483 /nfs/dbraw/zinc/95/34/83/879953483.db2.gz DYEBLRPPDOEUQP-RTBURBONSA-N 2 2 397.567 3.514 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000247324716 879970440 /nfs/dbraw/zinc/97/04/40/879970440.db2.gz IUTCBNAVGDDIAT-MOJGAOKDSA-N 2 2 388.515 3.759 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000247324716 879970450 /nfs/dbraw/zinc/97/04/50/879970450.db2.gz IUTCBNAVGDDIAT-MOJGAOKDSA-N 2 2 388.515 3.759 20 0 GHADLP Clc1sc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1Br ZINC000790961901 880104772 /nfs/dbraw/zinc/10/47/72/880104772.db2.gz RZNACEFUFYEDLC-GFCCVEGCSA-N 2 2 393.778 3.897 20 0 GHADLP Cc1cccn2cc(CC(=O)N3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)[nH+]c12 ZINC000531673454 880298969 /nfs/dbraw/zinc/29/89/69/880298969.db2.gz FOJMUSGRZBJBAJ-LJQANCHMSA-N 2 2 382.552 3.688 20 0 GHADLP Cc1cccn2cc(CC(=O)N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)[nH+]c12 ZINC000531673454 880298985 /nfs/dbraw/zinc/29/89/85/880298985.db2.gz FOJMUSGRZBJBAJ-LJQANCHMSA-N 2 2 382.552 3.688 20 0 GHADLP Cc1cc2occ(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c2cc1C ZINC000186111859 880790762 /nfs/dbraw/zinc/79/07/62/880790762.db2.gz YXNVRDNXMOBEHL-UHFFFAOYSA-N 2 2 383.536 3.730 20 0 GHADLP Cc1cc(C)c(N2CC[C@H]([N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)C2=O)c(C)c1 ZINC000249030533 912624764 /nfs/dbraw/zinc/62/47/64/912624764.db2.gz FFLRGAAPXDYMAO-HJNYFJLDSA-N 2 2 381.564 3.666 20 0 GHADLP Cc1cc(C)c(N2CC[C@H]([N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)C2=O)c(C)c1 ZINC000249030533 912624773 /nfs/dbraw/zinc/62/47/73/912624773.db2.gz FFLRGAAPXDYMAO-HJNYFJLDSA-N 2 2 381.564 3.666 20 0 GHADLP Cc1cc(C)c(N2CC[C@H]([NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2=O)c(C)c1 ZINC000249030533 912624780 /nfs/dbraw/zinc/62/47/80/912624780.db2.gz FFLRGAAPXDYMAO-HJNYFJLDSA-N 2 2 381.564 3.666 20 0 GHADLP Cc1cc(C)c(N2CC[C@H]([NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2=O)c(C)c1 ZINC000249030533 912624789 /nfs/dbraw/zinc/62/47/89/912624789.db2.gz FFLRGAAPXDYMAO-HJNYFJLDSA-N 2 2 381.564 3.666 20 0 GHADLP CC[C@H]1C[C@H]([NH2+][C@@H](c2ccc(OC)cc2)[C@@H]([NH3+])c2ccc(OC)cc2)CCO1 ZINC001170181196 881192876 /nfs/dbraw/zinc/19/28/76/881192876.db2.gz FXEHCRYCUNRDCV-FUKQBSRTSA-N 2 2 384.520 3.992 20 0 GHADLP O=C(N1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c2ccccc2C1)C(F)(F)F ZINC000858533322 883179703 /nfs/dbraw/zinc/17/97/03/883179703.db2.gz RUXJNUHRQJJYMI-MJGOQNOKSA-N 2 2 395.469 3.629 20 0 GHADLP O=C(N1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c2ccccc2C1)C(F)(F)F ZINC000858533322 883179713 /nfs/dbraw/zinc/17/97/13/883179713.db2.gz RUXJNUHRQJJYMI-MJGOQNOKSA-N 2 2 395.469 3.629 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000195652249 883541084 /nfs/dbraw/zinc/54/10/84/883541084.db2.gz QTMUADVEPLBRQA-MGPUTAFESA-N 2 2 389.337 3.519 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000195652249 883541088 /nfs/dbraw/zinc/54/10/88/883541088.db2.gz QTMUADVEPLBRQA-MGPUTAFESA-N 2 2 389.337 3.519 20 0 GHADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000643547796 912732348 /nfs/dbraw/zinc/73/23/48/912732348.db2.gz JBKDLWCIDPZUFZ-IRLDBZIGSA-N 2 2 398.572 3.752 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc2ccccc2c1 ZINC000136084335 883653002 /nfs/dbraw/zinc/65/30/02/883653002.db2.gz RKANIMWWIHUIRG-FGSXEWAUSA-N 2 2 376.504 3.797 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc2ccccc2c1 ZINC000136084335 883653007 /nfs/dbraw/zinc/65/30/07/883653007.db2.gz RKANIMWWIHUIRG-FGSXEWAUSA-N 2 2 376.504 3.797 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc2ccccc2c1 ZINC000136084363 883653040 /nfs/dbraw/zinc/65/30/40/883653040.db2.gz RKANIMWWIHUIRG-SPEDKVCISA-N 2 2 376.504 3.797 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc2ccccc2c1 ZINC000136084363 883653045 /nfs/dbraw/zinc/65/30/45/883653045.db2.gz RKANIMWWIHUIRG-SPEDKVCISA-N 2 2 376.504 3.797 20 0 GHADLP CCN(C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1nc2ccccc2s1 ZINC000859214982 883669487 /nfs/dbraw/zinc/66/94/87/883669487.db2.gz SNBLPBFHZPEEDZ-UHFFFAOYSA-N 2 2 396.560 3.843 20 0 GHADLP CCN(C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1nc2ccccc2s1 ZINC000859214982 883669496 /nfs/dbraw/zinc/66/94/96/883669496.db2.gz SNBLPBFHZPEEDZ-UHFFFAOYSA-N 2 2 396.560 3.843 20 0 GHADLP Cc1[nH+]ccn1C[C@@H](C)CNc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000194184888 883711339 /nfs/dbraw/zinc/71/13/39/883711339.db2.gz XTQQDWDZAVNXRX-AWEZNQCLSA-N 2 2 378.480 3.943 20 0 GHADLP CCCC[N@H+](C)CC1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000194481677 883834909 /nfs/dbraw/zinc/83/49/09/883834909.db2.gz KESVVDWLKZCMRZ-UHFFFAOYSA-N 2 2 397.567 3.585 20 0 GHADLP CCCC[N@@H+](C)CC1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000194481677 883834930 /nfs/dbraw/zinc/83/49/30/883834930.db2.gz KESVVDWLKZCMRZ-UHFFFAOYSA-N 2 2 397.567 3.585 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2c(Br)cnn2C)CC1 ZINC000494987145 884319629 /nfs/dbraw/zinc/31/96/29/884319629.db2.gz SIQZGELOEIOQGT-OAHLLOKOSA-N 2 2 383.378 3.659 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2c(Br)cnn2C)CC1 ZINC000494987145 884319660 /nfs/dbraw/zinc/31/96/60/884319660.db2.gz SIQZGELOEIOQGT-OAHLLOKOSA-N 2 2 383.378 3.659 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)CC2)cc1 ZINC000495005947 884362137 /nfs/dbraw/zinc/36/21/37/884362137.db2.gz KPSKWAJCFZZPLW-QFIPXVFZSA-N 2 2 394.563 3.769 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)CC2)cc1 ZINC000495005947 884362181 /nfs/dbraw/zinc/36/21/81/884362181.db2.gz KPSKWAJCFZZPLW-QFIPXVFZSA-N 2 2 394.563 3.769 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3c(F)cccc3OC(F)(F)F)[nH+]c2)C1 ZINC000556329192 884486278 /nfs/dbraw/zinc/48/62/78/884486278.db2.gz HJXKOLRCMWCSBZ-CQSZACIVSA-N 2 2 398.404 3.872 20 0 GHADLP CC[N@H+](CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)Cc1ccccc1Cl ZINC000498554047 884821169 /nfs/dbraw/zinc/82/11/69/884821169.db2.gz CVIYPWJMUOWBCT-IBGZPJMESA-N 2 2 377.960 3.639 20 0 GHADLP CC[N@@H+](CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)Cc1ccccc1Cl ZINC000498554047 884821183 /nfs/dbraw/zinc/82/11/83/884821183.db2.gz CVIYPWJMUOWBCT-IBGZPJMESA-N 2 2 377.960 3.639 20 0 GHADLP CCN(C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000666895196 885026651 /nfs/dbraw/zinc/02/66/51/885026651.db2.gz JHBKFGSJQDTPKI-HXUWFJFHSA-N 2 2 381.524 3.834 20 0 GHADLP CCN(C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000666895196 885026668 /nfs/dbraw/zinc/02/66/68/885026668.db2.gz JHBKFGSJQDTPKI-HXUWFJFHSA-N 2 2 381.524 3.834 20 0 GHADLP COCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000655766575 885379138 /nfs/dbraw/zinc/37/91/38/885379138.db2.gz RUFUFSDRTJVDKM-LPHOPBHVSA-N 2 2 387.351 3.914 20 0 GHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000303349139 885530435 /nfs/dbraw/zinc/53/04/35/885530435.db2.gz NDSZTEJSWNOPKN-UHFFFAOYSA-N 2 2 398.378 3.760 20 0 GHADLP COc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c(C)c1OC ZINC000808392030 886323148 /nfs/dbraw/zinc/32/31/48/886323148.db2.gz VETGTOFFQZTMPL-UHFFFAOYSA-N 2 2 383.536 3.837 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000056894461 886388501 /nfs/dbraw/zinc/38/85/01/886388501.db2.gz GWIFPLKXYCPOLL-IBGZPJMESA-N 2 2 395.532 3.570 20 0 GHADLP COCCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000131931183 886606968 /nfs/dbraw/zinc/60/69/68/886606968.db2.gz DMCDCGDLZONMAS-UHFFFAOYSA-N 2 2 384.568 3.760 20 0 GHADLP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000119096526 886635262 /nfs/dbraw/zinc/63/52/62/886635262.db2.gz UETJZNQGDMLSQP-AEFFLSMTSA-N 2 2 386.927 3.706 20 0 GHADLP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000119096526 886635275 /nfs/dbraw/zinc/63/52/75/886635275.db2.gz UETJZNQGDMLSQP-AEFFLSMTSA-N 2 2 386.927 3.706 20 0 GHADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000459336805 887467408 /nfs/dbraw/zinc/46/74/08/887467408.db2.gz DUTMJSSFKXRWMY-UHFFFAOYSA-N 2 2 375.476 3.665 20 0 GHADLP Cn1c[nH+]cc1CC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000459336805 887467415 /nfs/dbraw/zinc/46/74/15/887467415.db2.gz DUTMJSSFKXRWMY-UHFFFAOYSA-N 2 2 375.476 3.665 20 0 GHADLP Brc1c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)nc2ccccn21 ZINC000809603116 887615424 /nfs/dbraw/zinc/61/54/24/887615424.db2.gz KGZGWVYGCGCVGP-UHFFFAOYSA-N 2 2 399.336 3.982 20 0 GHADLP Cc1c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)oc2c1c(C)ccc2C ZINC000050797058 887699664 /nfs/dbraw/zinc/69/96/64/887699664.db2.gz AEDBAOSZDFPCEW-UHFFFAOYSA-N 2 2 383.536 3.646 20 0 GHADLP C[C@H](c1cccc(Cl)c1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051777832 887782615 /nfs/dbraw/zinc/78/26/15/887782615.db2.gz MWYYOVAOFUHQJT-MRXNPFEDSA-N 2 2 392.975 3.601 20 0 GHADLP CC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000051758970 887782661 /nfs/dbraw/zinc/78/26/61/887782661.db2.gz LXJLBWAUYSVQHP-HXUWFJFHSA-N 2 2 392.975 3.649 20 0 GHADLP O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC001184402925 913185658 /nfs/dbraw/zinc/18/56/58/913185658.db2.gz PMTNLKRMBOOYLS-SFHVURJKSA-N 2 2 386.927 3.612 20 0 GHADLP O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC001184402925 913185668 /nfs/dbraw/zinc/18/56/68/913185668.db2.gz PMTNLKRMBOOYLS-SFHVURJKSA-N 2 2 386.927 3.612 20 0 GHADLP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000794834029 888271584 /nfs/dbraw/zinc/27/15/84/888271584.db2.gz WOOLNUXOENNYHN-NSHGMRRFSA-N 2 2 390.572 3.527 20 0 GHADLP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000794834029 888271601 /nfs/dbraw/zinc/27/16/01/888271601.db2.gz WOOLNUXOENNYHN-NSHGMRRFSA-N 2 2 390.572 3.527 20 0 GHADLP Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000055910682 888325640 /nfs/dbraw/zinc/32/56/40/888325640.db2.gz LPWYTRMYIOCFSU-HSZRJFAPSA-N 2 2 393.531 3.603 20 0 GHADLP Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000055910682 888325653 /nfs/dbraw/zinc/32/56/53/888325653.db2.gz LPWYTRMYIOCFSU-HSZRJFAPSA-N 2 2 393.531 3.603 20 0 GHADLP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1c(Cl)cncc1Cl ZINC000865524693 888408731 /nfs/dbraw/zinc/40/87/31/888408731.db2.gz NCAMCGLOIVMKJU-INIZCTEOSA-N 2 2 380.319 3.635 20 0 GHADLP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1c(Cl)cncc1Cl ZINC000865524693 888408744 /nfs/dbraw/zinc/40/87/44/888408744.db2.gz NCAMCGLOIVMKJU-INIZCTEOSA-N 2 2 380.319 3.635 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000810651936 888748392 /nfs/dbraw/zinc/74/83/92/888748392.db2.gz UQFRXJLORHKSRN-JOCHJYFZSA-N 2 2 382.483 3.753 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000810651936 888748401 /nfs/dbraw/zinc/74/84/01/888748401.db2.gz UQFRXJLORHKSRN-JOCHJYFZSA-N 2 2 382.483 3.753 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000533067264 889624651 /nfs/dbraw/zinc/62/46/51/889624651.db2.gz NPNGDVQFCPONIX-GHTZIAJQSA-N 2 2 388.515 3.883 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000533067264 889624654 /nfs/dbraw/zinc/62/46/54/889624654.db2.gz NPNGDVQFCPONIX-GHTZIAJQSA-N 2 2 388.515 3.883 20 0 GHADLP CN(C(=O)c1cccc(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124597794 889689062 /nfs/dbraw/zinc/68/90/62/889689062.db2.gz JBXWIFZWOCIACS-PMACEKPBSA-N 2 2 377.960 3.749 20 0 GHADLP CN(C(=O)c1cccc(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124597794 889689069 /nfs/dbraw/zinc/68/90/69/889689069.db2.gz JBXWIFZWOCIACS-PMACEKPBSA-N 2 2 377.960 3.749 20 0 GHADLP C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124871527 889798115 /nfs/dbraw/zinc/79/81/15/889798115.db2.gz GRGQNKRMIDEEIU-AJSBUHFISA-N 2 2 385.596 3.661 20 0 GHADLP C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124871527 889798131 /nfs/dbraw/zinc/79/81/31/889798131.db2.gz GRGQNKRMIDEEIU-AJSBUHFISA-N 2 2 385.596 3.661 20 0 GHADLP [NH3+]C1CCC(N(c2cc(N3CCCC3)[nH+]cn2)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001170644291 889984206 /nfs/dbraw/zinc/98/42/06/889984206.db2.gz JCDVIRLQPHKIJJ-NSKBAKJYSA-N 2 2 377.536 3.709 20 0 GHADLP [NH3+]C1CCC(N(c2cc(N3CCCC3)nc[nH+]2)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001170644291 889984221 /nfs/dbraw/zinc/98/42/21/889984221.db2.gz JCDVIRLQPHKIJJ-NSKBAKJYSA-N 2 2 377.536 3.709 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(C)c1 ZINC000533542809 890808903 /nfs/dbraw/zinc/80/89/03/890808903.db2.gz LUAJGPMZGYKVIR-IFMALSPDSA-N 2 2 395.551 3.511 20 0 GHADLP CN(C(=O)c1ccc2[nH]ccc2c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649742 891047221 /nfs/dbraw/zinc/04/72/21/891047221.db2.gz ZXYFFMMPEICRNP-FGZHOGPDSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1ccc2[nH]ccc2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649742 891047225 /nfs/dbraw/zinc/04/72/25/891047225.db2.gz ZXYFFMMPEICRNP-FGZHOGPDSA-N 2 2 382.552 3.577 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@@H]1CCc3cc(F)cc(F)c3C1)CC2 ZINC001170689557 891071048 /nfs/dbraw/zinc/07/10/48/891071048.db2.gz LDSSKUXSYCDIGH-QGZVFWFLSA-N 2 2 388.506 3.719 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@@H]1CCc3cc(F)cc(F)c3C1)CC2 ZINC001170689557 891071058 /nfs/dbraw/zinc/07/10/58/891071058.db2.gz LDSSKUXSYCDIGH-QGZVFWFLSA-N 2 2 388.506 3.719 20 0 GHADLP CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533665658 891076206 /nfs/dbraw/zinc/07/62/06/891076206.db2.gz SGYDYEBOGXSRFB-GBAJDQEWSA-N 2 2 392.632 3.934 20 0 GHADLP CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533665658 891076214 /nfs/dbraw/zinc/07/62/14/891076214.db2.gz SGYDYEBOGXSRFB-GBAJDQEWSA-N 2 2 392.632 3.934 20 0 GHADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C(F)(F)F ZINC000872149236 891182686 /nfs/dbraw/zinc/18/26/86/891182686.db2.gz MQPCDTFSSJPCQG-AEFFLSMTSA-N 2 2 377.410 3.508 20 0 GHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C(F)(F)F ZINC000872149236 891182690 /nfs/dbraw/zinc/18/26/90/891182690.db2.gz MQPCDTFSSJPCQG-AEFFLSMTSA-N 2 2 377.410 3.508 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000287792450 913538401 /nfs/dbraw/zinc/53/84/01/913538401.db2.gz SVNWFMROBDOLJR-ZWKOTPCHSA-N 2 2 376.508 3.539 20 0 GHADLP CC(=O)N(c1nc(C[N@H+](C)CCCCCC[NH3+])cs1)c1ccc(F)cc1 ZINC000873231294 891534363 /nfs/dbraw/zinc/53/43/63/891534363.db2.gz DBBFXHWBKYLPRK-UHFFFAOYSA-N 2 2 378.517 3.918 20 0 GHADLP CC(=O)N(c1nc(C[N@@H+](C)CCCCCC[NH3+])cs1)c1ccc(F)cc1 ZINC000873231294 891534368 /nfs/dbraw/zinc/53/43/68/891534368.db2.gz DBBFXHWBKYLPRK-UHFFFAOYSA-N 2 2 378.517 3.918 20 0 GHADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000873331042 891588033 /nfs/dbraw/zinc/58/80/33/891588033.db2.gz MHFXBHDZZNGTHI-NRFANRHFSA-N 2 2 382.483 3.730 20 0 GHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C3c4ccccc4-c4ccccc43)cc2)CC1 ZINC000497526193 891794630 /nfs/dbraw/zinc/79/46/30/891794630.db2.gz VGPLXGWUQJNNJO-UHFFFAOYSA-N 2 2 397.522 3.934 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000162015915 891974633 /nfs/dbraw/zinc/97/46/33/891974633.db2.gz SAYUBMLLHBVULO-HNNXBMFYSA-N 2 2 380.941 3.963 20 0 GHADLP CC1(C)Cc2occc2[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000162021715 891978189 /nfs/dbraw/zinc/97/81/89/891978189.db2.gz JYQVASRIJBVKQP-FQEVSTJZSA-N 2 2 384.520 3.794 20 0 GHADLP CC(C)C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000128753734 892374604 /nfs/dbraw/zinc/37/46/04/892374604.db2.gz DUROGFJZMGLMLW-SFHVURJKSA-N 2 2 386.565 3.559 20 0 GHADLP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001137084688 892407942 /nfs/dbraw/zinc/40/79/42/892407942.db2.gz ALWHJZUHIIDFIS-FGZHOGPDSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001137084688 892407962 /nfs/dbraw/zinc/40/79/62/892407962.db2.gz ALWHJZUHIIDFIS-FGZHOGPDSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001137084688 892407972 /nfs/dbraw/zinc/40/79/72/892407972.db2.gz ALWHJZUHIIDFIS-FGZHOGPDSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001137084688 892407981 /nfs/dbraw/zinc/40/79/81/892407981.db2.gz ALWHJZUHIIDFIS-FGZHOGPDSA-N 2 2 387.543 3.561 20 0 GHADLP CCC(CC)(CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000533733591 892735245 /nfs/dbraw/zinc/73/52/45/892735245.db2.gz YYXKWFGZGVOCDA-UYAOXDASSA-N 2 2 397.567 3.829 20 0 GHADLP CC(C)(C)C(=O)Nc1ccc(N)[nH+]c1N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001170753789 892928508 /nfs/dbraw/zinc/92/85/08/892928508.db2.gz NXHQEAIIBYPFKA-SFHVURJKSA-N 2 2 395.551 3.767 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]2C1 ZINC000814677896 893061524 /nfs/dbraw/zinc/06/15/24/893061524.db2.gz IBRZCJTWXYYHQC-BGYRXZFFSA-N 2 2 396.535 3.951 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]2C1 ZINC000814677896 893061542 /nfs/dbraw/zinc/06/15/42/893061542.db2.gz IBRZCJTWXYYHQC-BGYRXZFFSA-N 2 2 396.535 3.951 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000778188211 893177275 /nfs/dbraw/zinc/17/72/75/893177275.db2.gz FAAVLJWBRHBZSI-AWEZNQCLSA-N 2 2 376.291 3.789 20 0 GHADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]([NH3+])[C@H](C)OCc3ccccc3)c2)[nH+]c1C ZINC000876736738 893305710 /nfs/dbraw/zinc/30/57/10/893305710.db2.gz MGAABUBJPLUKIL-OXJNMPFZSA-N 2 2 378.476 3.565 20 0 GHADLP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000645234097 913770012 /nfs/dbraw/zinc/77/00/12/913770012.db2.gz OJVWMADAWIRFML-HNNXBMFYSA-N 2 2 391.437 3.683 20 0 GHADLP C[C@H]1C[N@H+](Cc2cnc(C3CCCCC3)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536664311 893476521 /nfs/dbraw/zinc/47/65/21/893476521.db2.gz KTKHNMYHPXMMJO-FXAWDEMLSA-N 2 2 376.614 3.649 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cnc(C3CCCCC3)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536664311 893476526 /nfs/dbraw/zinc/47/65/26/893476526.db2.gz KTKHNMYHPXMMJO-FXAWDEMLSA-N 2 2 376.614 3.649 20 0 GHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444789770 893511971 /nfs/dbraw/zinc/51/19/71/893511971.db2.gz FTXHIIBENNAELW-OAHLLOKOSA-N 2 2 395.334 3.565 20 0 GHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444789770 893511977 /nfs/dbraw/zinc/51/19/77/893511977.db2.gz FTXHIIBENNAELW-OAHLLOKOSA-N 2 2 395.334 3.565 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444791342 893531270 /nfs/dbraw/zinc/53/12/70/893531270.db2.gz AZIJBGGDQLNJRL-KBPBESRZSA-N 2 2 396.413 3.525 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444791342 893531291 /nfs/dbraw/zinc/53/12/91/893531291.db2.gz AZIJBGGDQLNJRL-KBPBESRZSA-N 2 2 396.413 3.525 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000459514172 893673627 /nfs/dbraw/zinc/67/36/27/893673627.db2.gz LPGWRFNFKVTCIB-IBGZPJMESA-N 2 2 381.520 3.659 20 0 GHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000563443903 893729116 /nfs/dbraw/zinc/72/91/16/893729116.db2.gz XODPUQKEDBMGJF-KRWDZBQOSA-N 2 2 377.960 3.655 20 0 GHADLP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCC(C[NH+]5CCCC5)CC4)nc(N)c23)C1 ZINC000536754081 893737037 /nfs/dbraw/zinc/73/70/37/893737037.db2.gz HENKKZREAUDLSD-OAHLLOKOSA-N 2 2 399.608 3.706 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1OCC(F)F ZINC000536835878 893909471 /nfs/dbraw/zinc/90/94/71/893909471.db2.gz ZNPFHAHDBXHVAN-LPHOPBHVSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1OCC(F)F ZINC000536835878 893909477 /nfs/dbraw/zinc/90/94/77/893909477.db2.gz ZNPFHAHDBXHVAN-LPHOPBHVSA-N 2 2 375.463 3.726 20 0 GHADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000536844982 893921236 /nfs/dbraw/zinc/92/12/36/893921236.db2.gz IYMNGSALNJIHBH-FGTMMUONSA-N 2 2 397.332 3.543 20 0 GHADLP C[N@H+](C[C@H]1CC[C@@H](c2ccccc2)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000878171061 894070980 /nfs/dbraw/zinc/07/09/80/894070980.db2.gz YFIXQFXRGJYNJW-RPWUZVMVSA-N 2 2 379.548 3.941 20 0 GHADLP C[N@@H+](C[C@H]1CC[C@@H](c2ccccc2)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000878171061 894070991 /nfs/dbraw/zinc/07/09/91/894070991.db2.gz YFIXQFXRGJYNJW-RPWUZVMVSA-N 2 2 379.548 3.941 20 0 GHADLP Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1C ZINC000563841577 894250268 /nfs/dbraw/zinc/25/02/68/894250268.db2.gz LLCRCVLWFZVHDV-IBGZPJMESA-N 2 2 381.520 3.727 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccncc2OCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000645457483 913911444 /nfs/dbraw/zinc/91/14/44/913911444.db2.gz VPDFTZMJGMAGGJ-ZWKOTPCHSA-N 2 2 379.426 3.948 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccncc2OCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000645457483 913911452 /nfs/dbraw/zinc/91/14/52/913911452.db2.gz VPDFTZMJGMAGGJ-ZWKOTPCHSA-N 2 2 379.426 3.948 20 0 GHADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000879319939 894984549 /nfs/dbraw/zinc/98/45/49/894984549.db2.gz CXFNLTYXHNKMTD-NRFANRHFSA-N 2 2 377.492 3.550 20 0 GHADLP Cn1ncc2cc(C[NH+]3CCC(c4ccccc4)([NH+]4CCCC4)CC3)cnc21 ZINC000897567689 895073044 /nfs/dbraw/zinc/07/30/44/895073044.db2.gz DADFNRNLCLIQMU-UHFFFAOYSA-N 2 2 375.520 3.555 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(F)c1 ZINC000564720581 895209470 /nfs/dbraw/zinc/20/94/70/895209470.db2.gz ZFEUSWDPMJSJGN-CTNGQTDRSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(F)c1 ZINC000564720581 895209483 /nfs/dbraw/zinc/20/94/83/895209483.db2.gz ZFEUSWDPMJSJGN-CTNGQTDRSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(F)c1 ZINC000564720581 895209495 /nfs/dbraw/zinc/20/94/95/895209495.db2.gz ZFEUSWDPMJSJGN-CTNGQTDRSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(F)c1 ZINC000564720581 895209508 /nfs/dbraw/zinc/20/95/08/895209508.db2.gz ZFEUSWDPMJSJGN-CTNGQTDRSA-N 2 2 382.479 3.566 20 0 GHADLP COc1ccc([C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N(C)C)cc1OC ZINC000565132629 895412613 /nfs/dbraw/zinc/41/26/13/895412613.db2.gz YCRPVRGYZMOVCV-OAQYLSRUSA-N 2 2 389.584 3.693 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)CC1 ZINC000817285660 895437538 /nfs/dbraw/zinc/43/75/38/895437538.db2.gz AVXCKDPLYLTNGX-IBGZPJMESA-N 2 2 397.567 3.598 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)CC1 ZINC000817285660 895437541 /nfs/dbraw/zinc/43/75/41/895437541.db2.gz AVXCKDPLYLTNGX-IBGZPJMESA-N 2 2 397.567 3.598 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN([C@@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)CC1 ZINC000817285660 895437542 /nfs/dbraw/zinc/43/75/42/895437542.db2.gz AVXCKDPLYLTNGX-IBGZPJMESA-N 2 2 397.567 3.598 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN([C@@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)CC1 ZINC000817285660 895437548 /nfs/dbraw/zinc/43/75/48/895437548.db2.gz AVXCKDPLYLTNGX-IBGZPJMESA-N 2 2 397.567 3.598 20 0 GHADLP O[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000817274332 895462318 /nfs/dbraw/zinc/46/23/18/895462318.db2.gz KGWBAGPKYAITDQ-ZEQRLZLVSA-N 2 2 380.532 3.607 20 0 GHADLP O[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000817274332 895462325 /nfs/dbraw/zinc/46/23/25/895462325.db2.gz KGWBAGPKYAITDQ-ZEQRLZLVSA-N 2 2 380.532 3.607 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000565591844 895748369 /nfs/dbraw/zinc/74/83/69/895748369.db2.gz ZHNAOBQSHZOUCF-BAGYTPMASA-N 2 2 392.609 3.934 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(-c2nc(-c3cccc(OCC[NH+](C)C)c3)no2)c1 ZINC000565741581 895844056 /nfs/dbraw/zinc/84/40/56/895844056.db2.gz ZGNCUDOMWBSNDA-UHFFFAOYSA-N 2 2 389.459 3.838 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000796264744 914031923 /nfs/dbraw/zinc/03/19/23/914031923.db2.gz TYAMRKMCQPOAKO-UHFFFAOYSA-N 2 2 392.894 3.764 20 0 GHADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)nc(N2CCCC2)n1 ZINC000566229179 896190630 /nfs/dbraw/zinc/19/06/30/896190630.db2.gz KEDCRVNVGZFIKJ-OAQYLSRUSA-N 2 2 391.563 3.672 20 0 GHADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)nc(N2CCCC2)n1 ZINC000566229179 896190637 /nfs/dbraw/zinc/19/06/37/896190637.db2.gz KEDCRVNVGZFIKJ-OAQYLSRUSA-N 2 2 391.563 3.672 20 0 GHADLP c1[nH+]cn(Cc2ccccc2)c1Cn1cc(C[NH2+][C@H]2CCCc3ccccc32)nn1 ZINC000881291196 896280348 /nfs/dbraw/zinc/28/03/48/896280348.db2.gz JEOQCVJLQDCWJL-DEOSSOPVSA-N 2 2 398.514 3.738 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000819182762 896452579 /nfs/dbraw/zinc/45/25/79/896452579.db2.gz HZFHUGPSYMOMMU-MGPUTAFESA-N 2 2 393.453 3.949 20 0 GHADLP CC[N@@H+](Cc1c(Cl)nc(Cl)n1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000129249438 896538068 /nfs/dbraw/zinc/53/80/68/896538068.db2.gz DSOXTIFQKNNXFV-UHFFFAOYSA-N 2 2 382.339 3.860 20 0 GHADLP CC[N@H+](Cc1c(Cl)nc(Cl)n1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000129249438 896538083 /nfs/dbraw/zinc/53/80/83/896538083.db2.gz DSOXTIFQKNNXFV-UHFFFAOYSA-N 2 2 382.339 3.860 20 0 GHADLP Brc1ccc(C[N@H+](CCC[C@H]2CCOC2)CCn2cc[nH+]c2)o1 ZINC000645909676 914120462 /nfs/dbraw/zinc/12/04/62/914120462.db2.gz TYCORSYWEMCAGO-HNNXBMFYSA-N 2 2 382.302 3.558 20 0 GHADLP Brc1ccc(C[N@@H+](CCC[C@H]2CCOC2)CCn2cc[nH+]c2)o1 ZINC000645909676 914120473 /nfs/dbraw/zinc/12/04/73/914120473.db2.gz TYCORSYWEMCAGO-HNNXBMFYSA-N 2 2 382.302 3.558 20 0 GHADLP O=C(NCCCn1cc[nH+]c1)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000567824172 897426261 /nfs/dbraw/zinc/42/62/61/897426261.db2.gz DSUAGKFSAYPKOS-UHFFFAOYSA-N 2 2 387.553 3.673 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1sccc1Br ZINC000883288494 897453300 /nfs/dbraw/zinc/45/33/00/897453300.db2.gz HNGUGGJACKILAB-PBHICJAKSA-N 2 2 394.382 3.948 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1sccc1Br ZINC000883288494 897453305 /nfs/dbraw/zinc/45/33/05/897453305.db2.gz HNGUGGJACKILAB-PBHICJAKSA-N 2 2 394.382 3.948 20 0 GHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000883386871 897550784 /nfs/dbraw/zinc/55/07/84/897550784.db2.gz OEBISDHYZUFWNV-DYESRHJHSA-N 2 2 376.460 3.932 20 0 GHADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388403 897551836 /nfs/dbraw/zinc/55/18/36/897551836.db2.gz UOYWNZGGNPISFJ-XLIONFOSSA-N 2 2 379.460 3.527 20 0 GHADLP CC[NH+](CC)Cc1ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000568113632 897604320 /nfs/dbraw/zinc/60/43/20/897604320.db2.gz TYXFFZMRWJYIMX-UHFFFAOYSA-N 2 2 376.504 3.954 20 0 GHADLP CCCCOc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1OC ZINC000568253473 897699133 /nfs/dbraw/zinc/69/91/33/897699133.db2.gz PYQYIPYQJPDVLQ-FQEVSTJZSA-N 2 2 376.541 3.561 20 0 GHADLP CCCCOc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1OC ZINC000568253473 897699140 /nfs/dbraw/zinc/69/91/40/897699140.db2.gz PYQYIPYQJPDVLQ-FQEVSTJZSA-N 2 2 376.541 3.561 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+][C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000778643247 897822647 /nfs/dbraw/zinc/82/26/47/897822647.db2.gz MVFJSJVHZFGEAA-CRAIPNDOSA-N 2 2 397.954 3.930 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000778643247 897822655 /nfs/dbraw/zinc/82/26/55/897822655.db2.gz MVFJSJVHZFGEAA-CRAIPNDOSA-N 2 2 397.954 3.930 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(-c2c(F)cccc2F)cc1 ZINC000569294489 898515424 /nfs/dbraw/zinc/51/54/24/898515424.db2.gz XESUVDQPKXOJLZ-FOIQADDNSA-N 2 2 387.474 3.622 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(-c2c(F)cccc2F)cc1 ZINC000569294489 898515431 /nfs/dbraw/zinc/51/54/31/898515431.db2.gz XESUVDQPKXOJLZ-FOIQADDNSA-N 2 2 387.474 3.622 20 0 GHADLP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000569771005 898942008 /nfs/dbraw/zinc/94/20/08/898942008.db2.gz KOSKXKHJUUODIQ-MSOLQXFVSA-N 2 2 397.519 3.508 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000331719325 899102863 /nfs/dbraw/zinc/10/28/63/899102863.db2.gz QRBNZDKQZZRHHV-MLGOLLRUSA-N 2 2 398.320 3.802 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000331719325 899102867 /nfs/dbraw/zinc/10/28/67/899102867.db2.gz QRBNZDKQZZRHHV-MLGOLLRUSA-N 2 2 398.320 3.802 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001136811944 899354174 /nfs/dbraw/zinc/35/41/74/899354174.db2.gz RYEXVADBJJTEFD-CTNGQTDRSA-N 2 2 380.536 3.528 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001136811944 899354186 /nfs/dbraw/zinc/35/41/86/899354186.db2.gz RYEXVADBJJTEFD-CTNGQTDRSA-N 2 2 380.536 3.528 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1c1ccccc1 ZINC000824414396 899612266 /nfs/dbraw/zinc/61/22/66/899612266.db2.gz ACMKNEAQRFNWPZ-LVCYWYKZSA-N 2 2 396.535 3.997 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)Cc3cccc(F)c3)CC2)cc1 ZINC000824903188 899870030 /nfs/dbraw/zinc/87/00/30/899870030.db2.gz ALNUNGUZWQDISL-KRWDZBQOSA-N 2 2 383.511 3.969 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Br)nc1 ZINC000289939725 914439144 /nfs/dbraw/zinc/43/91/44/914439144.db2.gz WBEAVULEHYCKPN-OAHLLOKOSA-N 2 2 390.325 3.527 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(Cl)ccc1OC(F)(F)F)CC2 ZINC001143702687 900408880 /nfs/dbraw/zinc/40/88/80/900408880.db2.gz AGDGISYEPQZASP-UHFFFAOYSA-N 2 2 391.821 3.869 20 0 GHADLP CC(C)(CO)[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000573590198 900569630 /nfs/dbraw/zinc/56/96/30/900569630.db2.gz FQFMADBMRKBLHA-XZOQPEGZSA-N 2 2 382.548 3.627 20 0 GHADLP CC(C)(CO)[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000573590198 900569638 /nfs/dbraw/zinc/56/96/38/900569638.db2.gz FQFMADBMRKBLHA-XZOQPEGZSA-N 2 2 382.548 3.627 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)n1cc[nH+]c1 ZINC000844370342 900739336 /nfs/dbraw/zinc/73/93/36/900739336.db2.gz WRODRVREEFJEMF-SFHVURJKSA-N 2 2 397.523 3.678 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c2ccccc21 ZINC000282947699 900774656 /nfs/dbraw/zinc/77/46/56/900774656.db2.gz BQBAVXOQVJJAQZ-NHCUHLMSSA-N 2 2 390.487 3.847 20 0 GHADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cnc(-c4ccc(OC)c(OC)c4)s3)C[C@@H]2C1 ZINC001144071222 901020308 /nfs/dbraw/zinc/02/03/08/901020308.db2.gz SYFFUSYGGWYGKT-IRXDYDNUSA-N 2 2 387.549 3.601 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000089886308 901429254 /nfs/dbraw/zinc/42/92/54/901429254.db2.gz FVQZAKWKPACLKJ-UHFFFAOYSA-N 2 2 376.570 3.545 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000089886308 901429287 /nfs/dbraw/zinc/42/92/87/901429287.db2.gz FVQZAKWKPACLKJ-UHFFFAOYSA-N 2 2 376.570 3.545 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[N@@H+]1C ZINC000093644314 901557388 /nfs/dbraw/zinc/55/73/88/901557388.db2.gz YNIRIOBCAAIZAN-PGRDOPGGSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[N@H+]1C ZINC000093644314 901557398 /nfs/dbraw/zinc/55/73/98/901557398.db2.gz YNIRIOBCAAIZAN-PGRDOPGGSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[NH+]1C ZINC000093644314 901557431 /nfs/dbraw/zinc/55/74/31/901557431.db2.gz YNIRIOBCAAIZAN-PGRDOPGGSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[NH+]1C ZINC000093644314 901557443 /nfs/dbraw/zinc/55/74/43/901557443.db2.gz YNIRIOBCAAIZAN-PGRDOPGGSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[N@@H+]1C ZINC000093644680 901559081 /nfs/dbraw/zinc/55/90/81/901559081.db2.gz DWCBIDAKMWTOFP-CVDCTZTESA-N 2 2 389.547 3.908 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[N@H+]1C ZINC000093644680 901559084 /nfs/dbraw/zinc/55/90/84/901559084.db2.gz DWCBIDAKMWTOFP-CVDCTZTESA-N 2 2 389.547 3.908 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[NH+]1C ZINC000093644680 901559098 /nfs/dbraw/zinc/55/90/98/901559098.db2.gz DWCBIDAKMWTOFP-CVDCTZTESA-N 2 2 389.547 3.908 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[NH+]1C ZINC000093644680 901559111 /nfs/dbraw/zinc/55/91/11/901559111.db2.gz DWCBIDAKMWTOFP-CVDCTZTESA-N 2 2 389.547 3.908 20 0 GHADLP COc1ccc(C[C@@](C)(O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000576152627 901732630 /nfs/dbraw/zinc/73/26/30/901732630.db2.gz QMQJCKMHSIJMRW-UZUQRXQVSA-N 2 2 395.503 3.534 20 0 GHADLP CCOC(=O)c1[nH]ccc1C[N@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001144333558 901791066 /nfs/dbraw/zinc/79/10/66/901791066.db2.gz HNVLTIDJDIDKSB-ONTIZHBOSA-N 2 2 381.520 3.802 20 0 GHADLP CCOC(=O)c1[nH]ccc1C[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001144333558 901791079 /nfs/dbraw/zinc/79/10/79/901791079.db2.gz HNVLTIDJDIDKSB-ONTIZHBOSA-N 2 2 381.520 3.802 20 0 GHADLP CCOC(=O)c1[nH]ccc1C[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001144333558 901791085 /nfs/dbraw/zinc/79/10/85/901791085.db2.gz HNVLTIDJDIDKSB-ONTIZHBOSA-N 2 2 381.520 3.802 20 0 GHADLP CCOC(=O)c1[nH]ccc1C[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001144333558 901791099 /nfs/dbraw/zinc/79/10/99/901791099.db2.gz HNVLTIDJDIDKSB-ONTIZHBOSA-N 2 2 381.520 3.802 20 0 GHADLP COc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC001144480982 902246240 /nfs/dbraw/zinc/24/62/40/902246240.db2.gz OKDGJEJPMZFXID-UHFFFAOYSA-N 2 2 390.911 3.809 20 0 GHADLP COc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC001144480982 902246247 /nfs/dbraw/zinc/24/62/47/902246247.db2.gz OKDGJEJPMZFXID-UHFFFAOYSA-N 2 2 390.911 3.809 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845551937 902255519 /nfs/dbraw/zinc/25/55/19/902255519.db2.gz IGEJULONLLJJBZ-FQEVSTJZSA-N 2 2 381.520 3.606 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845551937 902255532 /nfs/dbraw/zinc/25/55/32/902255532.db2.gz IGEJULONLLJJBZ-FQEVSTJZSA-N 2 2 381.520 3.606 20 0 GHADLP CCN(c1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1)C(C)C ZINC000159013437 902444633 /nfs/dbraw/zinc/44/46/33/902444633.db2.gz JYHZRLOHSTWXFX-GHTZIAJQSA-N 2 2 383.540 3.639 20 0 GHADLP CCN(c1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1)C(C)C ZINC000159013437 902444645 /nfs/dbraw/zinc/44/46/45/902444645.db2.gz JYHZRLOHSTWXFX-GHTZIAJQSA-N 2 2 383.540 3.639 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000845945373 902548627 /nfs/dbraw/zinc/54/86/27/902548627.db2.gz YNXCNHGXLIKXIR-UUKMXZOPSA-N 2 2 398.551 3.987 20 0 GHADLP Cn1nnc2cc(C[NH+]3CCC([N@H+](C)Cc4ccc(Cl)cc4)CC3)ccc21 ZINC001144641733 902572963 /nfs/dbraw/zinc/57/29/63/902572963.db2.gz FVUGUTOTIVOYLB-UHFFFAOYSA-N 2 2 383.927 3.718 20 0 GHADLP Cn1nnc2cc(C[NH+]3CCC([N@@H+](C)Cc4ccc(Cl)cc4)CC3)ccc21 ZINC001144641733 902572969 /nfs/dbraw/zinc/57/29/69/902572969.db2.gz FVUGUTOTIVOYLB-UHFFFAOYSA-N 2 2 383.927 3.718 20 0 GHADLP CC1([NH+]2CCCC2)CC[NH+](Cc2c[nH]c3cc(Br)cnc23)CC1 ZINC001144706976 902709671 /nfs/dbraw/zinc/70/96/71/902709671.db2.gz VLJPOVVZCQMWEV-UHFFFAOYSA-N 2 2 377.330 3.776 20 0 GHADLP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000779007592 902726765 /nfs/dbraw/zinc/72/67/65/902726765.db2.gz GUDSKDFLUBYZLH-FXAWDEMLSA-N 2 2 384.524 3.667 20 0 GHADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)c[nH+]1 ZINC000577427676 902762976 /nfs/dbraw/zinc/76/29/76/902762976.db2.gz NHLAHFHPBMMNRO-QHCPKHFHSA-N 2 2 377.488 3.779 20 0 GHADLP C[C@@H](c1cccc(NC(=O)Nc2cccc(C[NH+](C)C)c2)c1)[NH+]1CCOCC1 ZINC000264337660 903032197 /nfs/dbraw/zinc/03/21/97/903032197.db2.gz VPIGDWHTGSHQGV-KRWDZBQOSA-N 2 2 382.508 3.785 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1NC(C)=O ZINC000132350533 903243127 /nfs/dbraw/zinc/24/31/27/903243127.db2.gz XPQSUXDGKZENFF-QGZVFWFLSA-N 2 2 381.520 3.969 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646618535 914724751 /nfs/dbraw/zinc/72/47/51/914724751.db2.gz SQNKSEAQBJZCSC-FQEVSTJZSA-N 2 2 398.576 3.947 20 0 GHADLP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4c(c3)C(=O)CCCC4)CC2)CC1 ZINC000578247283 903651943 /nfs/dbraw/zinc/65/19/43/903651943.db2.gz QKGFWFYWYJMMPN-UHFFFAOYSA-N 2 2 397.563 3.731 20 0 GHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)cc1 ZINC000045014385 904097199 /nfs/dbraw/zinc/09/71/99/904097199.db2.gz ZAZGOLDJPWRQNM-UHFFFAOYSA-N 2 2 388.515 3.588 20 0 GHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)cc1 ZINC000045014385 904097214 /nfs/dbraw/zinc/09/72/14/904097214.db2.gz ZAZGOLDJPWRQNM-UHFFFAOYSA-N 2 2 388.515 3.588 20 0 GHADLP CN(C)C(=O)C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000579028312 904300949 /nfs/dbraw/zinc/30/09/49/904300949.db2.gz DLULTZVQMHSLIN-HSZRJFAPSA-N 2 2 397.538 3.642 20 0 GHADLP CN(CCCC[NH+]1CCCCC1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889540488 904629691 /nfs/dbraw/zinc/62/96/91/904629691.db2.gz ZAENFMKHQVJYPF-MXVIHJGJSA-N 2 2 387.572 3.712 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)cs1 ZINC001171455046 904719780 /nfs/dbraw/zinc/71/97/80/904719780.db2.gz ZERVEEHNDOCCKO-HNNXBMFYSA-N 2 2 397.560 3.863 20 0 GHADLP Fc1c[nH+]ccc1N(C1CC[NH2+]CC1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171546027 904775526 /nfs/dbraw/zinc/77/55/26/904775526.db2.gz GAOJUFUOLIFCNB-AWEZNQCLSA-N 2 2 379.401 3.754 20 0 GHADLP Cc1cccc2c1CC[C@@H](N(c1cccc[nH+]1)[C@H]1COC3(C1)CC[NH2+]CC3)C2 ZINC001171573640 904843217 /nfs/dbraw/zinc/84/32/17/904843217.db2.gz XESDYXXHNDMACK-NHCUHLMSSA-N 2 2 377.532 3.665 20 0 GHADLP CC1(C)C[C@@H]([NH+]2CCCN(C(=O)c3ccco3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171987723 905251929 /nfs/dbraw/zinc/25/19/29/905251929.db2.gz IIHHHYUHKVOFKN-NRFANRHFSA-N 2 2 395.547 3.871 20 0 GHADLP CC1(C)C[C@@H]([NH+]2CCCN(C(=O)c3ccco3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987723 905251942 /nfs/dbraw/zinc/25/19/42/905251942.db2.gz IIHHHYUHKVOFKN-NRFANRHFSA-N 2 2 395.547 3.871 20 0 GHADLP CC1(C)C[C@@H]([N@@H+]2CCCN(C(=O)c3ccco3)CC2)CC[NH+]1Cc1ccccc1 ZINC001171987723 905251956 /nfs/dbraw/zinc/25/19/56/905251956.db2.gz IIHHHYUHKVOFKN-NRFANRHFSA-N 2 2 395.547 3.871 20 0 GHADLP CC1(C)C[C@@H]([N@H+]2CCCN(C(=O)c3ccco3)CC2)CC[NH+]1Cc1ccccc1 ZINC001171987723 905251964 /nfs/dbraw/zinc/25/19/64/905251964.db2.gz IIHHHYUHKVOFKN-NRFANRHFSA-N 2 2 395.547 3.871 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)CC12CCCCC2 ZINC001172061801 905325632 /nfs/dbraw/zinc/32/56/32/905325632.db2.gz NUMJSLFYSWIZBF-GOSISDBHSA-N 2 2 388.556 3.844 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)CC12CCCCC2 ZINC001172061801 905325649 /nfs/dbraw/zinc/32/56/49/905325649.db2.gz NUMJSLFYSWIZBF-GOSISDBHSA-N 2 2 388.556 3.844 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]Cc2cccc(OC4COC4)n2)C3)cc1 ZINC001172067919 905333429 /nfs/dbraw/zinc/33/34/29/905333429.db2.gz HYTUBIGNZDLEEU-KOUNCHBCSA-N 2 2 393.531 3.535 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]Cc2cccc(OC4COC4)n2)C3)cc1 ZINC001172067919 905333445 /nfs/dbraw/zinc/33/34/45/905333445.db2.gz HYTUBIGNZDLEEU-KOUNCHBCSA-N 2 2 393.531 3.535 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccnc1 ZINC001172066924 905335198 /nfs/dbraw/zinc/33/51/98/905335198.db2.gz BVZDYIPFOZRMTK-BJESRGMDSA-N 2 2 393.531 3.861 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccnc1 ZINC001172066924 905335206 /nfs/dbraw/zinc/33/52/06/905335206.db2.gz BVZDYIPFOZRMTK-BJESRGMDSA-N 2 2 393.531 3.861 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCN(c4cccnc4)CC2)C3)cc1 ZINC001172068711 905337808 /nfs/dbraw/zinc/33/78/08/905337808.db2.gz KAEKIQNPBADSAO-ACHVPNTGSA-N 2 2 376.548 3.789 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCN(c4cccnc4)CC2)C3)cc1 ZINC001172068711 905337821 /nfs/dbraw/zinc/33/78/21/905337821.db2.gz KAEKIQNPBADSAO-ACHVPNTGSA-N 2 2 376.548 3.789 20 0 GHADLP COc1ccc([C@H]([NH3+])[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)c2ccc(OC)cc2)cc1 ZINC001172225012 905424868 /nfs/dbraw/zinc/42/48/68/905424868.db2.gz ZQCAICXTXWSNNF-AMUXTULTSA-N 2 2 382.504 3.745 20 0 GHADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C[C@H]1C ZINC001172372605 905483926 /nfs/dbraw/zinc/48/39/26/905483926.db2.gz YILRIOJMBIIVIS-JYBIWHBTSA-N 2 2 379.589 3.875 20 0 GHADLP CC[C@@H](C)OCC[C@@H](C)[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001172338361 905504216 /nfs/dbraw/zinc/50/42/16/905504216.db2.gz NYUAMHKXBKRDSY-VGUOSERISA-N 2 2 395.613 3.568 20 0 GHADLP CC[C@@H](C)OCC[C@@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001172338361 905504227 /nfs/dbraw/zinc/50/42/27/905504227.db2.gz NYUAMHKXBKRDSY-VGUOSERISA-N 2 2 395.613 3.568 20 0 GHADLP CC[C@@H](C)OCC[C@@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001172338361 905504237 /nfs/dbraw/zinc/50/42/37/905504237.db2.gz NYUAMHKXBKRDSY-VGUOSERISA-N 2 2 395.613 3.568 20 0 GHADLP CC[C@@H](C)OCC[C@@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001172338361 905504245 /nfs/dbraw/zinc/50/42/45/905504245.db2.gz NYUAMHKXBKRDSY-VGUOSERISA-N 2 2 395.613 3.568 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([NH+]3CCC(n4cc[nH+]c4)CC3)CC[C@H]2C1 ZINC001172531195 905592728 /nfs/dbraw/zinc/59/27/28/905592728.db2.gz IZULZUJQXAOPKX-FUDKSRODSA-N 2 2 392.547 3.851 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172580257 905679090 /nfs/dbraw/zinc/67/90/90/905679090.db2.gz JASQOECFRHJMOY-BJLQDIEVSA-N 2 2 391.531 3.998 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172580257 905679098 /nfs/dbraw/zinc/67/90/98/905679098.db2.gz JASQOECFRHJMOY-BJLQDIEVSA-N 2 2 391.531 3.998 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172641582 905703944 /nfs/dbraw/zinc/70/39/44/905703944.db2.gz GYWIOUDKUPYNFR-MTQWCTHYSA-N 2 2 379.589 3.971 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172641582 905703954 /nfs/dbraw/zinc/70/39/54/905703954.db2.gz GYWIOUDKUPYNFR-MTQWCTHYSA-N 2 2 379.589 3.971 20 0 GHADLP CCCC[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172641582 905703964 /nfs/dbraw/zinc/70/39/64/905703964.db2.gz GYWIOUDKUPYNFR-MTQWCTHYSA-N 2 2 379.589 3.971 20 0 GHADLP CCCC[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172641582 905703966 /nfs/dbraw/zinc/70/39/66/905703966.db2.gz GYWIOUDKUPYNFR-MTQWCTHYSA-N 2 2 379.589 3.971 20 0 GHADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)CCN1C(=O)OC(C)(C)C ZINC001172645096 905707457 /nfs/dbraw/zinc/70/74/57/905707457.db2.gz CEWAJMURXDMOIF-ZWKOTPCHSA-N 2 2 376.545 3.700 20 0 GHADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)CCN1C(=O)OC(C)(C)C ZINC001172645096 905707464 /nfs/dbraw/zinc/70/74/64/905707464.db2.gz CEWAJMURXDMOIF-ZWKOTPCHSA-N 2 2 376.545 3.700 20 0 GHADLP O=C1C[C@@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CCN1Cc1ccccc1 ZINC001172675246 905757080 /nfs/dbraw/zinc/75/70/80/905757080.db2.gz SAWGZWGBYPVFBT-QFIPXVFZSA-N 2 2 381.564 3.518 20 0 GHADLP O=C1C[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CCN1Cc1ccccc1 ZINC001172675246 905757091 /nfs/dbraw/zinc/75/70/91/905757091.db2.gz SAWGZWGBYPVFBT-QFIPXVFZSA-N 2 2 381.564 3.518 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H](C)Cc3ccc(F)cc3Cl)CC2)C1 ZINC001172870738 905940440 /nfs/dbraw/zinc/94/04/40/905940440.db2.gz CMLXTHMNRGAMTI-NVXWUHKLSA-N 2 2 396.934 3.760 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H](C)Cc3ccc(F)cc3Cl)CC2)C1 ZINC001172870738 905940466 /nfs/dbraw/zinc/94/04/66/905940466.db2.gz CMLXTHMNRGAMTI-NVXWUHKLSA-N 2 2 396.934 3.760 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1)c1ccn(C2CC[NH+](CC(=O)OC(C)(C)C)CC2)n1 ZINC001172896387 905984547 /nfs/dbraw/zinc/98/45/47/905984547.db2.gz DLBQYLWREGXUFI-SFHVURJKSA-N 2 2 398.551 3.713 20 0 GHADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001172922019 905993234 /nfs/dbraw/zinc/99/32/34/905993234.db2.gz FJMDWFIGMKEERJ-RBZQAINGSA-N 2 2 382.548 3.597 20 0 GHADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@@H]1C(F)(F)F ZINC000629564320 906869084 /nfs/dbraw/zinc/86/90/84/906869084.db2.gz SOZMHSBGILQORJ-HKUYNNGSSA-N 2 2 391.437 3.898 20 0 GHADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@@H]1C(F)(F)F ZINC000629564320 906869094 /nfs/dbraw/zinc/86/90/94/906869094.db2.gz SOZMHSBGILQORJ-HKUYNNGSSA-N 2 2 391.437 3.898 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000181593833 907034829 /nfs/dbraw/zinc/03/48/29/907034829.db2.gz KRKNYZIOXYVNAO-QZTJIDSGSA-N 2 2 394.519 3.914 20 0 GHADLP CN(C(=O)Nc1ccc2[nH]ccc2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183074856 907322333 /nfs/dbraw/zinc/32/23/33/907322333.db2.gz KNRDQLAECYLKBZ-VXKWHMMOSA-N 2 2 397.567 3.969 20 0 GHADLP CN(C(=O)Nc1ccc2[nH]ccc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183074856 907322347 /nfs/dbraw/zinc/32/23/47/907322347.db2.gz KNRDQLAECYLKBZ-VXKWHMMOSA-N 2 2 397.567 3.969 20 0 GHADLP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000184074644 907509539 /nfs/dbraw/zinc/50/95/39/907509539.db2.gz YBURCXANBYXPLX-UPVQGACJSA-N 2 2 391.490 3.667 20 0 GHADLP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000184074644 907509547 /nfs/dbraw/zinc/50/95/47/907509547.db2.gz YBURCXANBYXPLX-UPVQGACJSA-N 2 2 391.490 3.667 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000631336793 907677487 /nfs/dbraw/zinc/67/74/87/907677487.db2.gz IAGOICYYIBICJX-LJQANCHMSA-N 2 2 388.515 3.757 20 0 GHADLP CN(C(=O)c1ccc2cccnc2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000632101191 907936791 /nfs/dbraw/zinc/93/67/91/907936791.db2.gz RDAZHDZGHFYSLC-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccc2cccnc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000632101191 907936802 /nfs/dbraw/zinc/93/68/02/907936802.db2.gz RDAZHDZGHFYSLC-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP C[NH+](C)CCOc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)cc1 ZINC001176223520 907993715 /nfs/dbraw/zinc/99/37/15/907993715.db2.gz CUEGHBMVVFEWJA-UHFFFAOYSA-N 2 2 375.270 3.781 20 0 GHADLP C[NH+](C)CCCOc1ccc(Nc2cc(Br)cn3cc[nH+]c23)cn1 ZINC001176352694 908068411 /nfs/dbraw/zinc/06/84/11/908068411.db2.gz VMGYSLWYLQNNRP-UHFFFAOYSA-N 2 2 390.285 3.566 20 0 GHADLP CC1(C)CC2(CO1)CCC([NH2+]CCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC001177236277 908475941 /nfs/dbraw/zinc/47/59/41/908475941.db2.gz OKSYTNSMHOIPLK-UHFFFAOYSA-N 2 2 385.596 3.916 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000191501322 908632373 /nfs/dbraw/zinc/63/23/73/908632373.db2.gz RRSGEAILYOJFHO-UHFFFAOYSA-N 2 2 382.430 3.815 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000191501322 908632380 /nfs/dbraw/zinc/63/23/80/908632380.db2.gz RRSGEAILYOJFHO-UHFFFAOYSA-N 2 2 382.430 3.815 20 0 GHADLP CC(=O)c1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000194408337 908942864 /nfs/dbraw/zinc/94/28/64/908942864.db2.gz RTIHUXRBTQGVHZ-DHIUTWEWSA-N 2 2 399.579 3.607 20 0 GHADLP CC(=O)c1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000194408337 908942877 /nfs/dbraw/zinc/94/28/77/908942877.db2.gz RTIHUXRBTQGVHZ-DHIUTWEWSA-N 2 2 399.579 3.607 20 0 GHADLP C[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000266952479 909348237 /nfs/dbraw/zinc/34/82/37/909348237.db2.gz TZXWYZNLASGEJW-AWEZNQCLSA-N 2 2 398.378 3.772 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000267992364 909727226 /nfs/dbraw/zinc/72/72/26/909727226.db2.gz ATAPDUAYTOFPOZ-UHFFFAOYSA-N 2 2 375.563 3.611 20 0 GHADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1NC(C)=O ZINC000268750962 909996966 /nfs/dbraw/zinc/99/69/66/909996966.db2.gz HPKPHLPYOPEMDE-INIZCTEOSA-N 2 2 378.476 3.749 20 0 GHADLP C[C@@H]([NH2+][C@H](c1nccn1C)c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000268758334 910002211 /nfs/dbraw/zinc/00/22/11/910002211.db2.gz KGHQZRCGBSMTNL-VGSWGCGISA-N 2 2 396.510 3.940 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1)c1ccccc1Cl ZINC001274450555 910064178 /nfs/dbraw/zinc/06/41/78/910064178.db2.gz BPXNLRFNVNLVNS-FUHIMQAGSA-N 2 2 377.960 3.523 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1)c1ccccc1Cl ZINC001274450555 910064193 /nfs/dbraw/zinc/06/41/93/910064193.db2.gz BPXNLRFNVNLVNS-FUHIMQAGSA-N 2 2 377.960 3.523 20 0 GHADLP Cc1cc(C[NH3+])oc1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000638295823 910107966 /nfs/dbraw/zinc/10/79/66/910107966.db2.gz WTDNPBGBCWFOFD-ZWKOTPCHSA-N 2 2 393.890 3.793 20 0 GHADLP Cc1cc(C[NH3+])oc1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000638295823 910107977 /nfs/dbraw/zinc/10/79/77/910107977.db2.gz WTDNPBGBCWFOFD-ZWKOTPCHSA-N 2 2 393.890 3.793 20 0 GHADLP CN1CC[C@H]([NH2+]CCCCn2cc[nH+]c2)C[C@H]1c1ccc(Br)cc1 ZINC000638404614 910148356 /nfs/dbraw/zinc/14/83/56/910148356.db2.gz HLXROECNCHXOQT-OALUTQOASA-N 2 2 391.357 3.851 20 0 GHADLP CS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638439926 910153484 /nfs/dbraw/zinc/15/34/84/910153484.db2.gz GCGMUHHEOUZLOW-SIKLNZKXSA-N 2 2 384.545 3.548 20 0 GHADLP CS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638439926 910153492 /nfs/dbraw/zinc/15/34/92/910153492.db2.gz GCGMUHHEOUZLOW-SIKLNZKXSA-N 2 2 384.545 3.548 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[NH+](C2CCCC2)CC1 ZINC000270342690 910527673 /nfs/dbraw/zinc/52/76/73/910527673.db2.gz NZSHMPNKBGYZKQ-UHFFFAOYSA-N 2 2 391.519 3.694 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000247085310 910958853 /nfs/dbraw/zinc/95/88/53/910958853.db2.gz XAHOWDMTIOBYMW-MAUKXSAKSA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000247085310 910958864 /nfs/dbraw/zinc/95/88/64/910958864.db2.gz XAHOWDMTIOBYMW-MAUKXSAKSA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)n1 ZINC000247085310 910958874 /nfs/dbraw/zinc/95/88/74/910958874.db2.gz XAHOWDMTIOBYMW-MAUKXSAKSA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)n1 ZINC000247085310 910958880 /nfs/dbraw/zinc/95/88/80/910958880.db2.gz XAHOWDMTIOBYMW-MAUKXSAKSA-N 2 2 394.350 3.934 20 0 GHADLP CC[C@H]1C[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC[C@H]1[NH3+] ZINC000647938763 915444097 /nfs/dbraw/zinc/44/40/97/915444097.db2.gz UGOAPGRQOUFBMT-GHTZIAJQSA-N 2 2 375.532 3.546 20 0 GHADLP CC[C@H]1C[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC[C@H]1[NH3+] ZINC000647938763 915444103 /nfs/dbraw/zinc/44/41/03/915444103.db2.gz UGOAPGRQOUFBMT-GHTZIAJQSA-N 2 2 375.532 3.546 20 0 GHADLP CC[C@@H]1C[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000647936748 915444608 /nfs/dbraw/zinc/44/46/08/915444608.db2.gz KOBZQFQOYIDTEG-BVGQSLNGSA-N 2 2 384.351 3.716 20 0 GHADLP CC[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000647936748 915444618 /nfs/dbraw/zinc/44/46/18/915444618.db2.gz KOBZQFQOYIDTEG-BVGQSLNGSA-N 2 2 384.351 3.716 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1OCc1ccncc1 ZINC000293584012 916278242 /nfs/dbraw/zinc/27/82/42/916278242.db2.gz HYYMMDRTECWZBX-QHCPKHFHSA-N 2 2 381.520 3.587 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1OCc1ccncc1 ZINC000293584012 916278261 /nfs/dbraw/zinc/27/82/61/916278261.db2.gz HYYMMDRTECWZBX-QHCPKHFHSA-N 2 2 381.520 3.587 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1OCc1ccncc1 ZINC000293584012 916278275 /nfs/dbraw/zinc/27/82/75/916278275.db2.gz HYYMMDRTECWZBX-QHCPKHFHSA-N 2 2 381.520 3.587 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1OCc1ccncc1 ZINC000293584012 916278292 /nfs/dbraw/zinc/27/82/92/916278292.db2.gz HYYMMDRTECWZBX-QHCPKHFHSA-N 2 2 381.520 3.587 20 0 GHADLP Clc1cccc(N2CCOCC2)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000294171942 916626633 /nfs/dbraw/zinc/62/66/33/916626633.db2.gz PZKNMLIINXMKPR-UHFFFAOYSA-N 2 2 396.922 3.711 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1)c1ccccc1Cl ZINC000363082892 917741516 /nfs/dbraw/zinc/74/15/16/917741516.db2.gz FKEFOZBORWOTKF-OALUTQOASA-N 2 2 399.922 3.545 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1)c1ccccc1Cl ZINC000363082892 917741523 /nfs/dbraw/zinc/74/15/23/917741523.db2.gz FKEFOZBORWOTKF-OALUTQOASA-N 2 2 399.922 3.545 20 0 GHADLP Cc1ccc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c(OCC[NH+](C)C)c1 ZINC000364528915 919593286 /nfs/dbraw/zinc/59/32/86/919593286.db2.gz KJSFWXDKYRXPGS-INIZCTEOSA-N 2 2 384.524 3.526 20 0 GHADLP Cc1ccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c(OCC[NH+](C)C)c1 ZINC000364528915 919593295 /nfs/dbraw/zinc/59/32/95/919593295.db2.gz KJSFWXDKYRXPGS-INIZCTEOSA-N 2 2 384.524 3.526 20 0 GHADLP Cc1c2ccccc2oc1[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364595040 919710931 /nfs/dbraw/zinc/71/09/31/919710931.db2.gz YYAUNUMXOHCEGE-PKOBYXMFSA-N 2 2 398.551 3.612 20 0 GHADLP Cc1c2ccccc2oc1[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364595040 919710953 /nfs/dbraw/zinc/71/09/53/919710953.db2.gz YYAUNUMXOHCEGE-PKOBYXMFSA-N 2 2 398.551 3.612 20 0 GHADLP COc1ccccc1-c1csc([C@H]2CCC[N@H+](CCc3c[nH+]cn3C)C2)n1 ZINC000297761896 919738982 /nfs/dbraw/zinc/73/89/82/919738982.db2.gz UYDWPXBCOAVTII-INIZCTEOSA-N 2 2 382.533 3.974 20 0 GHADLP COc1ccccc1-c1csc([C@H]2CCC[N@@H+](CCc3c[nH+]cn3C)C2)n1 ZINC000297761896 919738993 /nfs/dbraw/zinc/73/89/93/919738993.db2.gz UYDWPXBCOAVTII-INIZCTEOSA-N 2 2 382.533 3.974 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccsc1 ZINC000365252968 920572953 /nfs/dbraw/zinc/57/29/53/920572953.db2.gz XNJQBYWQFFOQGO-SFHVURJKSA-N 2 2 389.569 3.505 20 0 GHADLP Cc1[nH+]ccn1CCCNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000298658453 920771749 /nfs/dbraw/zinc/77/17/49/920771749.db2.gz APDOZECESJOYPA-UHFFFAOYSA-N 2 2 380.496 3.772 20 0 GHADLP c1nc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)sc1C1OCCO1 ZINC000368018843 922427638 /nfs/dbraw/zinc/42/76/38/922427638.db2.gz QQJOGPNSISDDIG-GBESFXJTSA-N 2 2 399.560 3.579 20 0 GHADLP c1nc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)sc1C1OCCO1 ZINC000368018843 922427649 /nfs/dbraw/zinc/42/76/49/922427649.db2.gz QQJOGPNSISDDIG-GBESFXJTSA-N 2 2 399.560 3.579 20 0 GHADLP CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000368433331 922671041 /nfs/dbraw/zinc/67/10/41/922671041.db2.gz GRDDIXQRYDNZKQ-WOJBJXKFSA-N 2 2 392.975 3.601 20 0 GHADLP CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000368433331 922671052 /nfs/dbraw/zinc/67/10/52/922671052.db2.gz GRDDIXQRYDNZKQ-WOJBJXKFSA-N 2 2 392.975 3.601 20 0 GHADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@H]3CCO[C@]34CCOC4)cc2)c[nH+]1 ZINC000903086820 922761121 /nfs/dbraw/zinc/76/11/21/922761121.db2.gz AKYADEBOMANLBG-ZEQRLZLVSA-N 2 2 389.499 3.636 20 0 GHADLP CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368706297 922820082 /nfs/dbraw/zinc/82/00/82/922820082.db2.gz ITEYKTJWAYYKAY-HSZRJFAPSA-N 2 2 388.515 3.668 20 0 GHADLP CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368706297 922820093 /nfs/dbraw/zinc/82/00/93/922820093.db2.gz ITEYKTJWAYYKAY-HSZRJFAPSA-N 2 2 388.515 3.668 20 0 GHADLP CC[NH+](CC)CCOc1cccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000903458365 923038575 /nfs/dbraw/zinc/03/85/75/923038575.db2.gz XKKYBEFHNTWBSK-RXVVDRJESA-N 2 2 399.539 3.719 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090825 923104941 /nfs/dbraw/zinc/10/49/41/923104941.db2.gz GQSQPAMBPVQAJC-HNAYVOBHSA-N 2 2 394.441 3.560 20 0 GHADLP C[N@H+]1CCC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090825 923104947 /nfs/dbraw/zinc/10/49/47/923104947.db2.gz GQSQPAMBPVQAJC-HNAYVOBHSA-N 2 2 394.441 3.560 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090825 923104956 /nfs/dbraw/zinc/10/49/56/923104956.db2.gz GQSQPAMBPVQAJC-HNAYVOBHSA-N 2 2 394.441 3.560 20 0 GHADLP C[N@H+]1CCC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090825 923104964 /nfs/dbraw/zinc/10/49/64/923104964.db2.gz GQSQPAMBPVQAJC-HNAYVOBHSA-N 2 2 394.441 3.560 20 0 GHADLP COc1ccc(F)cc1-c1cncc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000903769822 923271592 /nfs/dbraw/zinc/27/15/92/923271592.db2.gz OVQDBOWOHFGWNZ-CRAIPNDOSA-N 2 2 397.416 3.855 20 0 GHADLP COc1ccc(F)cc1-c1cncc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000903769822 923271605 /nfs/dbraw/zinc/27/16/05/923271605.db2.gz OVQDBOWOHFGWNZ-CRAIPNDOSA-N 2 2 397.416 3.855 20 0 GHADLP CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000370307471 924022695 /nfs/dbraw/zinc/02/26/95/924022695.db2.gz HFZRIVBAVACQBE-LJQANCHMSA-N 2 2 386.584 3.684 20 0 GHADLP CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000370307471 924022708 /nfs/dbraw/zinc/02/27/08/924022708.db2.gz HFZRIVBAVACQBE-LJQANCHMSA-N 2 2 386.584 3.684 20 0 GHADLP Cc1cccc2nc(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)cn21 ZINC001137299262 924382729 /nfs/dbraw/zinc/38/27/29/924382729.db2.gz GADOXZAUJJZORO-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2nc(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)cn21 ZINC001137299262 924382731 /nfs/dbraw/zinc/38/27/31/924382731.db2.gz GADOXZAUJJZORO-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)cn21 ZINC001137299262 924382740 /nfs/dbraw/zinc/38/27/40/924382740.db2.gz GADOXZAUJJZORO-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)cn21 ZINC001137299262 924382749 /nfs/dbraw/zinc/38/27/49/924382749.db2.gz GADOXZAUJJZORO-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C2)CC1 ZINC000371104181 924428727 /nfs/dbraw/zinc/42/87/27/924428727.db2.gz NEMYXEJVHJMDKY-LJQANCHMSA-N 2 2 388.943 3.595 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C2)CC1 ZINC000371104181 924428737 /nfs/dbraw/zinc/42/87/37/924428737.db2.gz NEMYXEJVHJMDKY-LJQANCHMSA-N 2 2 388.943 3.595 20 0 GHADLP CC1(C)C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000677805433 924504710 /nfs/dbraw/zinc/50/47/10/924504710.db2.gz KWRAEOUMHVCLMD-QHCPKHFHSA-N 2 2 391.559 3.934 20 0 GHADLP CC1(C)C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000677805433 924504722 /nfs/dbraw/zinc/50/47/22/924504722.db2.gz KWRAEOUMHVCLMD-QHCPKHFHSA-N 2 2 391.559 3.934 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2nc3ccccc3n2C)CC1 ZINC000678264788 924695403 /nfs/dbraw/zinc/69/54/03/924695403.db2.gz UWOLIXHVCPGVRW-UHFFFAOYSA-N 2 2 391.563 3.737 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2nc3ccccc3n2C)CC1 ZINC000678264788 924695409 /nfs/dbraw/zinc/69/54/09/924695409.db2.gz UWOLIXHVCPGVRW-UHFFFAOYSA-N 2 2 391.563 3.737 20 0 GHADLP O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(F)(F)F ZINC000680120734 925371196 /nfs/dbraw/zinc/37/11/96/925371196.db2.gz IXHDBTUXZBSPKR-DLBZAZTESA-N 2 2 381.423 3.558 20 0 GHADLP CC(C)([C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000680343530 925449248 /nfs/dbraw/zinc/44/92/48/925449248.db2.gz WZNXCXOVXMCTAP-FQEVSTJZSA-N 2 2 390.478 3.673 20 0 GHADLP CN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681211282 925762310 /nfs/dbraw/zinc/76/23/10/925762310.db2.gz RZMPVLWLWVBRDJ-SFTDATJTSA-N 2 2 386.584 3.584 20 0 GHADLP CN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681211282 925762314 /nfs/dbraw/zinc/76/23/14/925762314.db2.gz RZMPVLWLWVBRDJ-SFTDATJTSA-N 2 2 386.584 3.584 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC000682534781 926155321 /nfs/dbraw/zinc/15/53/21/926155321.db2.gz XYZBTNXGITWZMV-IRXDYDNUSA-N 2 2 395.576 3.790 20 0 GHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc([S@@](C)=O)cc1 ZINC000373524007 926217242 /nfs/dbraw/zinc/21/72/42/926217242.db2.gz XDNOXBUETULUNI-MPIQTRFMSA-N 2 2 388.499 3.880 20 0 GHADLP Cc1noc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C2CCOCC2)n1 ZINC000411707137 926670495 /nfs/dbraw/zinc/67/04/95/926670495.db2.gz DRWGBXXKIARHDK-NRFANRHFSA-N 2 2 384.524 3.621 20 0 GHADLP Fc1cccc([C@@H]2C[C@@H]2[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000411723586 926692969 /nfs/dbraw/zinc/69/29/69/926692969.db2.gz XAZNAUTXPGDXPG-SGNDLWITSA-N 2 2 379.523 3.574 20 0 GHADLP Fc1cccc([C@@H]2C[C@@H]2[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000411723586 926692971 /nfs/dbraw/zinc/69/29/71/926692971.db2.gz XAZNAUTXPGDXPG-SGNDLWITSA-N 2 2 379.523 3.574 20 0 GHADLP Cc1noc(C2CCC([NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)CC2)n1 ZINC000374513378 927226203 /nfs/dbraw/zinc/22/62/03/927226203.db2.gz JCJMDFLACOSWLL-UHFFFAOYSA-N 2 2 383.540 3.729 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(OCc3nccn3C)cc1)CCC2 ZINC000374572995 927299714 /nfs/dbraw/zinc/29/97/14/927299714.db2.gz AKWVTIXSPUWFFL-IEBWSBKVSA-N 2 2 379.508 3.732 20 0 GHADLP C[NH+](C)CCCOC1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413181085 928296041 /nfs/dbraw/zinc/29/60/41/928296041.db2.gz ZFSFVFDEEPJQRE-UHFFFAOYSA-N 2 2 392.341 3.934 20 0 GHADLP OC[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1C(F)(F)F ZINC000544181803 928898368 /nfs/dbraw/zinc/89/83/68/928898368.db2.gz WXXKTXUFVGIPIT-AWEZNQCLSA-N 2 2 395.450 3.893 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)C1 ZINC000467737824 929356546 /nfs/dbraw/zinc/35/65/46/929356546.db2.gz OHNIKZJNZPVELJ-STZQEDGTSA-N 2 2 394.003 3.669 20 0 GHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)C1 ZINC000467737824 929356554 /nfs/dbraw/zinc/35/65/54/929356554.db2.gz OHNIKZJNZPVELJ-STZQEDGTSA-N 2 2 394.003 3.669 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@H](CN[C@H](c2ccc(Cl)cc2)[C@H]2C[NH+](C)CCO2)C1 ZINC000467737824 929356562 /nfs/dbraw/zinc/35/65/62/929356562.db2.gz OHNIKZJNZPVELJ-STZQEDGTSA-N 2 2 394.003 3.669 20 0 GHADLP CC(C)C[N@H+]1CCC[C@H](CN[C@H](c2ccc(Cl)cc2)[C@H]2C[NH+](C)CCO2)C1 ZINC000467737824 929356572 /nfs/dbraw/zinc/35/65/72/929356572.db2.gz OHNIKZJNZPVELJ-STZQEDGTSA-N 2 2 394.003 3.669 20 0 GHADLP CC(C)C[NH+]1CCC[C@H](CN[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C1 ZINC000467737824 929356586 /nfs/dbraw/zinc/35/65/86/929356586.db2.gz OHNIKZJNZPVELJ-STZQEDGTSA-N 2 2 394.003 3.669 20 0 GHADLP CC(C)C[NH+]1CCC[C@H](CN[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000467737824 929356605 /nfs/dbraw/zinc/35/66/05/929356605.db2.gz OHNIKZJNZPVELJ-STZQEDGTSA-N 2 2 394.003 3.669 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1nc(C(F)(F)F)cs1 ZINC000467749958 929370287 /nfs/dbraw/zinc/37/02/87/929370287.db2.gz UBTCPASJXHAWMO-AAEUAGOBSA-N 2 2 385.459 3.870 20 0 GHADLP CC(C)[NH+](CCCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C(C)C ZINC000467766469 929389426 /nfs/dbraw/zinc/38/94/26/929389426.db2.gz BMYQKTDRWSCABP-UHFFFAOYSA-N 2 2 381.590 3.759 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2Oc2cccc(C)c2)CC1 ZINC000545916949 929673924 /nfs/dbraw/zinc/67/39/24/929673924.db2.gz XJGUPKBAPNEOOD-VXKWHMMOSA-N 2 2 388.552 3.692 20 0 GHADLP [NH3+]CCCOC1CC[NH+](Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000469864708 930217002 /nfs/dbraw/zinc/21/70/02/930217002.db2.gz LKHLLPABPWMKIK-UHFFFAOYSA-N 2 2 395.263 3.798 20 0 GHADLP Cn1cc(-c2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)on2)cn1 ZINC000546681925 930354589 /nfs/dbraw/zinc/35/45/89/930354589.db2.gz AROCJTWMXOMIHD-QHCPKHFHSA-N 2 2 391.519 3.563 20 0 GHADLP Cn1cc(-c2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)on2)cn1 ZINC000546681925 930354596 /nfs/dbraw/zinc/35/45/96/930354596.db2.gz AROCJTWMXOMIHD-QHCPKHFHSA-N 2 2 391.519 3.563 20 0 GHADLP Cn1cc(-c2cc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)on2)cn1 ZINC000546681925 930354600 /nfs/dbraw/zinc/35/46/00/930354600.db2.gz AROCJTWMXOMIHD-QHCPKHFHSA-N 2 2 391.519 3.563 20 0 GHADLP Cn1cc(-c2cc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)on2)cn1 ZINC000546681925 930354604 /nfs/dbraw/zinc/35/46/04/930354604.db2.gz AROCJTWMXOMIHD-QHCPKHFHSA-N 2 2 391.519 3.563 20 0 GHADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000470135032 930398114 /nfs/dbraw/zinc/39/81/14/930398114.db2.gz ULXIPRGQXGQEKW-WFXMLNOXSA-N 2 2 375.557 3.601 20 0 GHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000470166618 930423347 /nfs/dbraw/zinc/42/33/47/930423347.db2.gz HLQSSKVVECPRTH-QHCPKHFHSA-N 2 2 390.531 3.818 20 0 GHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000470166618 930423354 /nfs/dbraw/zinc/42/33/54/930423354.db2.gz HLQSSKVVECPRTH-QHCPKHFHSA-N 2 2 390.531 3.818 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000547326770 930920306 /nfs/dbraw/zinc/92/03/06/930920306.db2.gz UBOGRPVIIGOFFL-QHCPKHFHSA-N 2 2 384.495 3.922 20 0 GHADLP OC1CC[NH+](CCC[NH2+][C@H](Cc2ccc(F)cc2Cl)c2ccoc2)CC1 ZINC000924756935 931526050 /nfs/dbraw/zinc/52/60/50/931526050.db2.gz RAGXDKOIOKSFJT-HXUWFJFHSA-N 2 2 380.891 3.792 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)COc2ccccc2C)c(C)c1 ZINC000557931989 931761507 /nfs/dbraw/zinc/76/15/07/931761507.db2.gz XJEXZFLYZCNXOR-RBBKRZOGSA-N 2 2 379.504 3.579 20 0 GHADLP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)n(C)n1 ZINC000925592651 931834029 /nfs/dbraw/zinc/83/40/29/931834029.db2.gz YEVKAGQMPKXLKC-RFWXGWTQSA-N 2 2 381.568 3.650 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CCOCC1)c1ccccc1 ZINC000558243555 931899810 /nfs/dbraw/zinc/89/98/10/931899810.db2.gz FIVAXPYCHYPJGX-RYQLBKOJSA-N 2 2 386.458 3.586 20 0 GHADLP COc1cc([C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)ccc1SC(F)F ZINC000925795771 931906331 /nfs/dbraw/zinc/90/63/31/931906331.db2.gz KQTIGYJNDPPFGN-DZGCQCFKSA-N 2 2 386.508 3.819 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]21 ZINC000784508513 931918544 /nfs/dbraw/zinc/91/85/44/931918544.db2.gz CTGJESLJLLCNLN-HMXCVIKNSA-N 2 2 396.535 3.998 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]21 ZINC000784508513 931918550 /nfs/dbraw/zinc/91/85/50/931918550.db2.gz CTGJESLJLLCNLN-HMXCVIKNSA-N 2 2 396.535 3.998 20 0 GHADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)c1cccc(OC)n1 ZINC000926527287 932216950 /nfs/dbraw/zinc/21/69/50/932216950.db2.gz JCWXYTOCZMNFCN-NRFANRHFSA-N 2 2 396.535 3.754 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000797699911 932373236 /nfs/dbraw/zinc/37/32/36/932373236.db2.gz IOVKIKPTRZQYCT-UHFFFAOYSA-N 2 2 385.899 3.551 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@@]3(C)CC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000799213839 932918965 /nfs/dbraw/zinc/91/89/65/932918965.db2.gz YVEIQYKTGSDAMC-JOCHJYFZSA-N 2 2 377.492 3.676 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000799213839 932918971 /nfs/dbraw/zinc/91/89/71/932918971.db2.gz YVEIQYKTGSDAMC-JOCHJYFZSA-N 2 2 377.492 3.676 20 0 GHADLP CC(C)COc1ccccc1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000560102012 933064971 /nfs/dbraw/zinc/06/49/71/933064971.db2.gz MDHOILYQCHNDAH-HSZRJFAPSA-N 2 2 381.564 3.800 20 0 GHADLP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000560608482 933383103 /nfs/dbraw/zinc/38/31/03/933383103.db2.gz QAFYDNUQZFSZLI-IIBYNOLFSA-N 2 2 392.465 3.818 20 0 GHADLP C[C@H](C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000560608482 933383110 /nfs/dbraw/zinc/38/31/10/933383110.db2.gz QAFYDNUQZFSZLI-IIBYNOLFSA-N 2 2 392.465 3.818 20 0 GHADLP COc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)o1 ZINC001116350885 933502253 /nfs/dbraw/zinc/50/22/53/933502253.db2.gz PSVIEWAVDRKDIC-INIZCTEOSA-N 2 2 379.464 3.525 20 0 GHADLP COc1ccccc1-c1nnc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)o1 ZINC001116350885 933502260 /nfs/dbraw/zinc/50/22/60/933502260.db2.gz PSVIEWAVDRKDIC-INIZCTEOSA-N 2 2 379.464 3.525 20 0 GHADLP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001116450083 933566295 /nfs/dbraw/zinc/56/62/95/933566295.db2.gz QUDTVZOFABHFDI-HSZRJFAPSA-N 2 2 392.547 3.713 20 0 GHADLP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001116450083 933566303 /nfs/dbraw/zinc/56/63/03/933566303.db2.gz QUDTVZOFABHFDI-HSZRJFAPSA-N 2 2 392.547 3.713 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(F)c(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000560892790 933658655 /nfs/dbraw/zinc/65/86/55/933658655.db2.gz OHAXOCRYNXOBJW-ZBFHGGJFSA-N 2 2 391.437 3.685 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(F)c(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000560892790 933658660 /nfs/dbraw/zinc/65/86/60/933658660.db2.gz OHAXOCRYNXOBJW-ZBFHGGJFSA-N 2 2 391.437 3.685 20 0 GHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000930510311 934076110 /nfs/dbraw/zinc/07/61/10/934076110.db2.gz ROQIIHVBGCKPQT-UHFFFAOYSA-N 2 2 394.475 3.793 20 0 GHADLP Clc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(-n2cncn2)c1 ZINC000561396197 934116830 /nfs/dbraw/zinc/11/68/30/934116830.db2.gz WCZWFZABRGDGHH-UHFFFAOYSA-N 2 2 384.915 3.810 20 0 GHADLP O=C(Nc1ccccc1)c1ccc(C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931290034 934484626 /nfs/dbraw/zinc/48/46/26/934484626.db2.gz SKZNEXSXGAWCIH-UHFFFAOYSA-N 2 2 393.531 3.626 20 0 GHADLP O=C(Nc1ccccc1)c1ccc(C[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931290034 934484634 /nfs/dbraw/zinc/48/46/34/934484634.db2.gz SKZNEXSXGAWCIH-UHFFFAOYSA-N 2 2 393.531 3.626 20 0 GHADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000562269507 934798871 /nfs/dbraw/zinc/79/88/71/934798871.db2.gz HMFMRRBHVXXFMY-CVEARBPZSA-N 2 2 393.601 3.569 20 0 GHADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000562269507 934798874 /nfs/dbraw/zinc/79/88/74/934798874.db2.gz HMFMRRBHVXXFMY-CVEARBPZSA-N 2 2 393.601 3.569 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4cccc(C)c4F)CC[C@@H]3C2)cs1 ZINC001137676077 935700357 /nfs/dbraw/zinc/70/03/57/935700357.db2.gz IVJAUQXHFHQWFP-YLJYHZDGSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4cccc(C)c4F)CC[C@@H]3C2)cs1 ZINC001137676077 935700361 /nfs/dbraw/zinc/70/03/61/935700361.db2.gz IVJAUQXHFHQWFP-YLJYHZDGSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4cccc(C)c4F)CC[C@@H]3C2)cs1 ZINC001137676077 935700364 /nfs/dbraw/zinc/70/03/64/935700364.db2.gz IVJAUQXHFHQWFP-YLJYHZDGSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4cccc(C)c4F)CC[C@@H]3C2)cs1 ZINC001137676077 935700367 /nfs/dbraw/zinc/70/03/67/935700367.db2.gz IVJAUQXHFHQWFP-YLJYHZDGSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1c(C)nn(C)c1Cl)CC2 ZINC001137746468 935766172 /nfs/dbraw/zinc/76/61/72/935766172.db2.gz MBWGMNOVQJLZFH-UHFFFAOYSA-N 2 2 391.947 3.617 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1c(C)nn(C)c1Cl)CC2 ZINC001137746468 935766176 /nfs/dbraw/zinc/76/61/76/935766176.db2.gz MBWGMNOVQJLZFH-UHFFFAOYSA-N 2 2 391.947 3.617 20 0 GHADLP Cc1ccc(F)c(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1Cl ZINC001138025083 935934133 /nfs/dbraw/zinc/93/41/33/935934133.db2.gz YCYHBIZZWJDEFY-UHFFFAOYSA-N 2 2 376.907 3.638 20 0 GHADLP Cc1ccc(F)c(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1Cl ZINC001138025083 935934135 /nfs/dbraw/zinc/93/41/35/935934135.db2.gz YCYHBIZZWJDEFY-UHFFFAOYSA-N 2 2 376.907 3.638 20 0 GHADLP Cc1ccc([C@H](CNC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)[NH+](C)C)cc1 ZINC001625919504 1014377449 /nfs/dbraw/zinc/37/74/49/1014377449.db2.gz OWOWVEWQZZPOER-HBMCJLEFSA-N 2 2 380.536 3.780 20 0 GHADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001626026548 1014808966 /nfs/dbraw/zinc/80/89/66/1014808966.db2.gz ZPIIRLZRDZADPE-UHFFFAOYSA-N 2 2 392.528 3.602 20 0 GHADLP CCSCc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000468980606 1016302835 /nfs/dbraw/zinc/30/28/35/1016302835.db2.gz KPPHLDRAQBHYCF-UHFFFAOYSA-N 2 2 389.609 3.620 20 0 GHADLP c1cn(-c2cccc(-c3noc([C@@H]4CCC[N@@H+](Cc5cccnc5)C4)n3)c2)c[nH+]1 ZINC000547108335 1016817229 /nfs/dbraw/zinc/81/72/29/1016817229.db2.gz AZYNIYZCADLFSI-LJQANCHMSA-N 2 2 386.459 3.697 20 0 GHADLP c1cn(-c2cccc(-c3noc([C@@H]4CCC[N@H+](Cc5cccnc5)C4)n3)c2)c[nH+]1 ZINC000547108335 1016817244 /nfs/dbraw/zinc/81/72/44/1016817244.db2.gz AZYNIYZCADLFSI-LJQANCHMSA-N 2 2 386.459 3.697 20 0 GHADLP FC(F)(c1cc(-c2ccco2)nnc1Cl)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155063457 1032398763 /nfs/dbraw/zinc/39/87/63/1032398763.db2.gz BMGUVPTYENGGNE-UHFFFAOYSA-N 2 2 379.798 3.651 20 0 GHADLP C[NH+]1CCN(c2cccc(N3CCC4(CC3)OCc3cc(Cl)ccc34)[nH+]2)CC1 ZINC001155140262 1032432425 /nfs/dbraw/zinc/43/24/25/1032432425.db2.gz GDLIJSQSEPPOCZ-UHFFFAOYSA-N 2 2 398.938 3.513 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1csc(C(F)(F)F)c1 ZINC000926409083 1017269526 /nfs/dbraw/zinc/26/95/26/1017269526.db2.gz FOQUTQWEVWDGRD-PRTUASRFSA-N 2 2 389.487 3.501 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1csc(C(F)(F)F)c1 ZINC000926409083 1017269531 /nfs/dbraw/zinc/26/95/31/1017269531.db2.gz FOQUTQWEVWDGRD-PRTUASRFSA-N 2 2 389.487 3.501 20 0 GHADLP C[NH+](C)CCCOc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)cc1 ZINC001204272024 1032714879 /nfs/dbraw/zinc/71/48/79/1032714879.db2.gz HKEQCIPOPZBQBK-OAQYLSRUSA-N 2 2 395.538 3.713 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4ccc(C)c(C)c4)CC[C@@H]3C2)cs1 ZINC001204354829 1032791601 /nfs/dbraw/zinc/79/16/01/1032791601.db2.gz MWPHUCKRFGJDQP-IFMALSPDSA-N 2 2 385.577 3.791 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4ccc(C)c(C)c4)CC[C@@H]3C2)cs1 ZINC001204354829 1032791618 /nfs/dbraw/zinc/79/16/18/1032791618.db2.gz MWPHUCKRFGJDQP-IFMALSPDSA-N 2 2 385.577 3.791 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4ccc(C)c(C)c4)CC[C@@H]3C2)cs1 ZINC001204354829 1032791635 /nfs/dbraw/zinc/79/16/35/1032791635.db2.gz MWPHUCKRFGJDQP-IFMALSPDSA-N 2 2 385.577 3.791 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4ccc(C)c(C)c4)CC[C@@H]3C2)cs1 ZINC001204354829 1032791653 /nfs/dbraw/zinc/79/16/53/1032791653.db2.gz MWPHUCKRFGJDQP-IFMALSPDSA-N 2 2 385.577 3.791 20 0 GHADLP CSc1ccc([C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[NH+](C)C)cc1 ZINC000568557305 1019422129 /nfs/dbraw/zinc/42/21/29/1019422129.db2.gz SAKLCFNRTPDJHH-FQEVSTJZSA-N 2 2 380.517 3.627 20 0 GHADLP C[C@@H]1C[C@@H](CC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000574235186 1019856766 /nfs/dbraw/zinc/85/67/66/1019856766.db2.gz BRAVWLZMQPEWIP-SYYKKAFVSA-N 2 2 375.520 3.784 20 0 GHADLP C[C@@H]1C[C@@H](CC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000574235186 1019856780 /nfs/dbraw/zinc/85/67/80/1019856780.db2.gz BRAVWLZMQPEWIP-SYYKKAFVSA-N 2 2 375.520 3.784 20 0 GHADLP [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000577059038 1020114601 /nfs/dbraw/zinc/11/46/01/1020114601.db2.gz CHAABMVVBSVAPA-SJORKVTESA-N 2 2 384.549 3.548 20 0 GHADLP [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000577059038 1020114616 /nfs/dbraw/zinc/11/46/16/1020114616.db2.gz CHAABMVVBSVAPA-SJORKVTESA-N 2 2 384.549 3.548 20 0 GHADLP C[NH+](C)C1(CNc2ncnc3scc(-c4cccs4)c32)CC[NH+](C)CC1 ZINC001156182620 1032915835 /nfs/dbraw/zinc/91/58/35/1032915835.db2.gz ZKAMXKVLFNSUPJ-UHFFFAOYSA-N 2 2 387.578 3.858 20 0 GHADLP FC(F)c1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC000631114471 1020862664 /nfs/dbraw/zinc/86/26/64/1020862664.db2.gz ZWRPKCLJYGZXJJ-UHFFFAOYSA-N 2 2 376.447 3.625 20 0 GHADLP CNC(=O)C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000639129270 1021065997 /nfs/dbraw/zinc/06/59/97/1021065997.db2.gz QSACXBLTFCSTLH-AKIFATBCSA-N 2 2 377.532 3.822 20 0 GHADLP CNC(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000639129270 1021066000 /nfs/dbraw/zinc/06/60/00/1021066000.db2.gz QSACXBLTFCSTLH-AKIFATBCSA-N 2 2 377.532 3.822 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000642251605 1021087600 /nfs/dbraw/zinc/08/76/00/1021087600.db2.gz QMMMCFNBESEFCY-QFIPXVFZSA-N 2 2 376.504 3.744 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000834586136 1021283061 /nfs/dbraw/zinc/28/30/61/1021283061.db2.gz ZBEHTNKRKWRKAN-NDBXHCKUSA-N 3 2 397.607 3.663 20 0 GHADLP Cc1ccc2n[nH]c(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001140330598 1021422575 /nfs/dbraw/zinc/42/25/75/1021422575.db2.gz GWRFRCYGPORMFE-SNYIIPAISA-N 2 2 389.547 3.999 20 0 GHADLP Cc1ccc2n[nH]c(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001140330598 1021422600 /nfs/dbraw/zinc/42/26/00/1021422600.db2.gz GWRFRCYGPORMFE-SNYIIPAISA-N 2 2 389.547 3.999 20 0 GHADLP Cc1ccc2n[nH]c(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001140330598 1021422606 /nfs/dbraw/zinc/42/26/06/1021422606.db2.gz GWRFRCYGPORMFE-SNYIIPAISA-N 2 2 389.547 3.999 20 0 GHADLP Cc1ccc2n[nH]c(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001140330598 1021422609 /nfs/dbraw/zinc/42/26/09/1021422609.db2.gz GWRFRCYGPORMFE-SNYIIPAISA-N 2 2 389.547 3.999 20 0 GHADLP CC[C@@H]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001228543043 1032978341 /nfs/dbraw/zinc/97/83/41/1032978341.db2.gz PNRUMFPPHBLRGN-WKDRNLAYSA-N 2 2 392.632 3.791 20 0 GHADLP CC[C@@H]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001228543043 1032978343 /nfs/dbraw/zinc/97/83/43/1032978343.db2.gz PNRUMFPPHBLRGN-WKDRNLAYSA-N 2 2 392.632 3.791 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000834808119 1021502161 /nfs/dbraw/zinc/50/21/61/1021502161.db2.gz XFEKJUGXSQTGTM-DZFGPLHGSA-N 2 2 396.535 3.997 20 0 GHADLP Brc1ccc2c(C3C[NH+](Cc4ccc5n[nH]cc5c4)C3)[nH+]cn2c1 ZINC001140388334 1021542948 /nfs/dbraw/zinc/54/29/48/1021542948.db2.gz QJLNCAUWTDWFFO-UHFFFAOYSA-N 2 2 382.265 3.573 20 0 GHADLP Clc1cccc(N2CC[NH+](C3CC[NH+](C[C@@H]4CCC=CO4)CC3)CC2)c1 ZINC000835058133 1021828950 /nfs/dbraw/zinc/82/89/50/1021828950.db2.gz ZARTYTQOAJUOER-NRFANRHFSA-N 2 2 375.944 3.619 20 0 GHADLP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ccc(OC(F)F)c(O)c2)CC1 ZINC001140631299 1022114400 /nfs/dbraw/zinc/11/44/00/1022114400.db2.gz WRNMJNWCFUOIMT-UHFFFAOYSA-N 2 2 399.526 3.623 20 0 GHADLP CC(C)[N@H+](Cc1c2cc(Br)ccc2nn1C)C1CC[NH+](C)CC1 ZINC001140675448 1022233087 /nfs/dbraw/zinc/23/30/87/1022233087.db2.gz PVCIPAFZOGVCJV-UHFFFAOYSA-N 2 2 379.346 3.640 20 0 GHADLP CC(C)[N@@H+](Cc1c2cc(Br)ccc2nn1C)C1CC[NH+](C)CC1 ZINC001140675448 1022233090 /nfs/dbraw/zinc/23/30/90/1022233090.db2.gz PVCIPAFZOGVCJV-UHFFFAOYSA-N 2 2 379.346 3.640 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)n1 ZINC000755790288 1023381239 /nfs/dbraw/zinc/38/12/39/1023381239.db2.gz JMCXTUQYSJWWBI-AWEZNQCLSA-N 2 2 391.306 3.741 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)n1 ZINC000755790288 1023381247 /nfs/dbraw/zinc/38/12/47/1023381247.db2.gz JMCXTUQYSJWWBI-AWEZNQCLSA-N 2 2 391.306 3.741 20 0 GHADLP CN(C)c1cccc(C[NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)c1 ZINC001141268422 1024345913 /nfs/dbraw/zinc/34/59/13/1024345913.db2.gz JLJYCXHTWHIXTA-UHFFFAOYSA-N 2 2 385.309 3.762 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3c[nH]c4ccc(Br)cc34)CC2)cc[nH+]1 ZINC001138323188 1024662424 /nfs/dbraw/zinc/66/24/24/1024662424.db2.gz LLMPBFQGFONGOM-UHFFFAOYSA-N 2 2 385.309 3.956 20 0 GHADLP COc1ccc(C)cc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001138486487 1024917878 /nfs/dbraw/zinc/91/78/78/1024917878.db2.gz MHNZZTXGYOAQEW-PUHATCMVSA-N 2 2 394.563 3.575 20 0 GHADLP COc1ccc(C)cc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001138486487 1024917881 /nfs/dbraw/zinc/91/78/81/1024917881.db2.gz MHNZZTXGYOAQEW-PUHATCMVSA-N 2 2 394.563 3.575 20 0 GHADLP COc1ccc(C)cc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001138486487 1024917884 /nfs/dbraw/zinc/91/78/84/1024917884.db2.gz MHNZZTXGYOAQEW-PUHATCMVSA-N 2 2 394.563 3.575 20 0 GHADLP COc1ccc(C)cc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001138486487 1024917888 /nfs/dbraw/zinc/91/78/88/1024917888.db2.gz MHNZZTXGYOAQEW-PUHATCMVSA-N 2 2 394.563 3.575 20 0 GHADLP CC(C)[N@H+](Cc1cc(I)ccc1F)C1CC[NH+](C)CC1 ZINC001141451203 1025090895 /nfs/dbraw/zinc/09/08/95/1025090895.db2.gz JFCJGJRVCCYCNT-UHFFFAOYSA-N 2 2 390.284 3.735 20 0 GHADLP CC(C)[N@@H+](Cc1cc(I)ccc1F)C1CC[NH+](C)CC1 ZINC001141451203 1025090905 /nfs/dbraw/zinc/09/09/05/1025090905.db2.gz JFCJGJRVCCYCNT-UHFFFAOYSA-N 2 2 390.284 3.735 20 0 GHADLP CCOC(=O)CC(C)(C)C[NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000838881381 1025416769 /nfs/dbraw/zinc/41/67/69/1025416769.db2.gz XSNIRAIAJUINPO-UHFFFAOYSA-N 2 2 375.557 3.856 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)c1ccccc1 ZINC000838966160 1025485525 /nfs/dbraw/zinc/48/55/25/1025485525.db2.gz DVXQYAFZFQEGAU-IBGZPJMESA-N 2 2 396.535 3.693 20 0 GHADLP FC(F)(F)c1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)nc1 ZINC001139012619 1025765780 /nfs/dbraw/zinc/76/57/80/1025765780.db2.gz BWRXZCGAGUNRGP-UHFFFAOYSA-N 2 2 395.425 3.560 20 0 GHADLP FC(F)(F)c1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)nc1 ZINC001139012619 1025765796 /nfs/dbraw/zinc/76/57/96/1025765796.db2.gz BWRXZCGAGUNRGP-UHFFFAOYSA-N 2 2 395.425 3.560 20 0 GHADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(Oc5ncccn5)cc4)C[C@H]3C2)c1 ZINC001139078025 1025889010 /nfs/dbraw/zinc/88/90/10/1025889010.db2.gz OHXKTMYXOFMGGR-KDURUIRLSA-N 2 2 392.528 3.894 20 0 GHADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(Oc5ncccn5)cc4)C[C@H]3C2)c1 ZINC001139078025 1025889029 /nfs/dbraw/zinc/88/90/29/1025889029.db2.gz OHXKTMYXOFMGGR-KDURUIRLSA-N 2 2 392.528 3.894 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(Oc5ncccn5)cc4)C[C@H]3C2)c1 ZINC001139078025 1025889050 /nfs/dbraw/zinc/88/90/50/1025889050.db2.gz OHXKTMYXOFMGGR-KDURUIRLSA-N 2 2 392.528 3.894 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(Oc5ncccn5)cc4)C[C@H]3C2)c1 ZINC001139078025 1025889068 /nfs/dbraw/zinc/88/90/68/1025889068.db2.gz OHXKTMYXOFMGGR-KDURUIRLSA-N 2 2 392.528 3.894 20 0 GHADLP Cn1ccc2ccc(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)cc21 ZINC001139204786 1026049078 /nfs/dbraw/zinc/04/90/78/1026049078.db2.gz MVUKPWXOVVXRBI-UHFFFAOYSA-N 2 2 379.504 3.638 20 0 GHADLP Cn1ccc2ccc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)cc21 ZINC001139204786 1026049093 /nfs/dbraw/zinc/04/90/93/1026049093.db2.gz MVUKPWXOVVXRBI-UHFFFAOYSA-N 2 2 379.504 3.638 20 0 GHADLP CSc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139325747 1026184191 /nfs/dbraw/zinc/18/41/91/1026184191.db2.gz YNDHWQJLFYVFGB-SFHVURJKSA-N 2 2 388.606 3.954 20 0 GHADLP CSc1ccccc1[C@@H]1CCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139325747 1026184193 /nfs/dbraw/zinc/18/41/93/1026184193.db2.gz YNDHWQJLFYVFGB-SFHVURJKSA-N 2 2 388.606 3.954 20 0 GHADLP c1cc(-c2ccc3c(C4C[NH+](Cc5ccc(-n6cncn6)cc5)C4)[nH+]cn3c2)co1 ZINC001139332389 1026192546 /nfs/dbraw/zinc/19/25/46/1026192546.db2.gz RDFXAHOKVYVRER-UHFFFAOYSA-N 2 2 396.454 3.774 20 0 GHADLP CC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139512869 1026367480 /nfs/dbraw/zinc/36/74/80/1026367480.db2.gz JOMSZZUVDHUNAJ-XMMPIXPASA-N 2 2 391.559 3.952 20 0 GHADLP CC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139512869 1026367491 /nfs/dbraw/zinc/36/74/91/1026367491.db2.gz JOMSZZUVDHUNAJ-XMMPIXPASA-N 2 2 391.559 3.952 20 0 GHADLP Cc1nc(-c2ccccc2)sc1C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001139822976 1026643761 /nfs/dbraw/zinc/64/37/61/1026643761.db2.gz SCACHPZMIDOQOJ-UHFFFAOYSA-N 2 2 379.533 3.848 20 0 GHADLP CCCN(CCC)c1cc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc[nH+]1 ZINC001165271111 1026687866 /nfs/dbraw/zinc/68/78/66/1026687866.db2.gz SBQQLJJVYCJINP-QGZVFWFLSA-N 2 2 385.478 3.614 20 0 GHADLP CCCN(CCC)c1cc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)[nH+]cn1 ZINC001165271111 1026687874 /nfs/dbraw/zinc/68/78/74/1026687874.db2.gz SBQQLJJVYCJINP-QGZVFWFLSA-N 2 2 385.478 3.614 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(n2c3ccccc3oc2=O)CC1 ZINC001140028083 1026817067 /nfs/dbraw/zinc/81/70/67/1026817067.db2.gz KAPIXJAHWGYFBQ-UHFFFAOYSA-N 2 2 388.471 3.926 20 0 GHADLP COC(=O)[C@H]1CC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)[C@H]1c1ccccc1 ZINC001140029866 1026818818 /nfs/dbraw/zinc/81/88/18/1026818818.db2.gz VRHPOGSWIYNFED-UNMCSNQZSA-N 2 2 375.472 3.917 20 0 GHADLP COC(=O)[C@H]1CC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)[C@H]1c1ccccc1 ZINC001140029866 1026818819 /nfs/dbraw/zinc/81/88/19/1026818819.db2.gz VRHPOGSWIYNFED-UNMCSNQZSA-N 2 2 375.472 3.917 20 0 GHADLP COc1cccc(-c2ncc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4C)C3)cn2)c1 ZINC001140195805 1026969133 /nfs/dbraw/zinc/96/91/33/1026969133.db2.gz DZCLVZXITZDHOW-HXUWFJFHSA-N 2 2 376.460 3.509 20 0 GHADLP COc1cccc(-c2ncc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4C)C3)cn2)c1 ZINC001140195805 1026969139 /nfs/dbraw/zinc/96/91/39/1026969139.db2.gz DZCLVZXITZDHOW-HXUWFJFHSA-N 2 2 376.460 3.509 20 0 GHADLP COc1cccc(-c2ncc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4C)C3)cn2)c1 ZINC001140195804 1026969462 /nfs/dbraw/zinc/96/94/62/1026969462.db2.gz DZCLVZXITZDHOW-FQEVSTJZSA-N 2 2 376.460 3.509 20 0 GHADLP COc1cccc(-c2ncc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4C)C3)cn2)c1 ZINC001140195804 1026969466 /nfs/dbraw/zinc/96/94/66/1026969466.db2.gz DZCLVZXITZDHOW-FQEVSTJZSA-N 2 2 376.460 3.509 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)[C@@H]1c1ccc(F)cc1 ZINC001209729337 1027124001 /nfs/dbraw/zinc/12/40/01/1027124001.db2.gz YCMMFMKBMBTGIA-FPOVZHCZSA-N 2 2 397.498 3.778 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)[C@@H]1c1ccc(F)cc1 ZINC001209729337 1027124019 /nfs/dbraw/zinc/12/40/19/1027124019.db2.gz YCMMFMKBMBTGIA-FPOVZHCZSA-N 2 2 397.498 3.778 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+](Cc2ccccc2)Cc2c[nH+]ccc2N)C1 ZINC001209733235 1027127469 /nfs/dbraw/zinc/12/74/69/1027127469.db2.gz SMLYYPMWKFWRND-HXUWFJFHSA-N 2 2 396.535 3.896 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+](Cc2ccccc2)Cc2c[nH+]ccc2N)C1 ZINC001209733235 1027127479 /nfs/dbraw/zinc/12/74/79/1027127479.db2.gz SMLYYPMWKFWRND-HXUWFJFHSA-N 2 2 396.535 3.896 20 0 GHADLP Cc1cccn2cc(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc12 ZINC001209739194 1027131641 /nfs/dbraw/zinc/13/16/41/1027131641.db2.gz JGZCLLDZCOCNHK-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2cc(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc12 ZINC001209739194 1027131649 /nfs/dbraw/zinc/13/16/49/1027131649.db2.gz JGZCLLDZCOCNHK-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)nc12 ZINC001209739194 1027131655 /nfs/dbraw/zinc/13/16/55/1027131655.db2.gz JGZCLLDZCOCNHK-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2cc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)nc12 ZINC001209739194 1027131665 /nfs/dbraw/zinc/13/16/65/1027131665.db2.gz JGZCLLDZCOCNHK-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP CCOC(=O)N[C@H]1CCC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001167017181 1027199940 /nfs/dbraw/zinc/19/99/40/1027199940.db2.gz XEAQFAUCEPBIBM-QFIPXVFZSA-N 2 2 387.568 3.542 20 0 GHADLP CCOC(=O)N[C@H]1CCC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001167017181 1027199956 /nfs/dbraw/zinc/19/99/56/1027199956.db2.gz XEAQFAUCEPBIBM-QFIPXVFZSA-N 2 2 387.568 3.542 20 0 GHADLP C[NH+]1CCN(CCNc2ccc(Nc3cc[nH+]c(-c4ccccc4)c3)cn2)CC1 ZINC001209814964 1027213499 /nfs/dbraw/zinc/21/34/99/1027213499.db2.gz WNAAQAACERLUMQ-UHFFFAOYSA-N 2 2 388.519 3.547 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)c2c1OC(F)(F)O2 ZINC001203180728 1027224814 /nfs/dbraw/zinc/22/48/14/1027224814.db2.gz AGZDYVVWAMGSTH-QGZVFWFLSA-N 2 2 376.403 3.552 20 0 GHADLP Cc1ccc(Nc2ccc(N3CCC([NH+]4CCN(C)CC4)CC3)cc2)c(C)[nH+]1 ZINC001203374919 1027299531 /nfs/dbraw/zinc/29/95/31/1027299531.db2.gz OIDASYIXGMLBSW-UHFFFAOYSA-N 2 2 379.552 3.658 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1O ZINC001203868996 1027672402 /nfs/dbraw/zinc/67/24/02/1027672402.db2.gz KHNBHIQWDXHLRE-CEWLAPEOSA-N 2 2 381.520 3.528 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1O ZINC001203868996 1027672408 /nfs/dbraw/zinc/67/24/08/1027672408.db2.gz KHNBHIQWDXHLRE-CEWLAPEOSA-N 2 2 381.520 3.528 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1O ZINC001203868996 1027672414 /nfs/dbraw/zinc/67/24/14/1027672414.db2.gz KHNBHIQWDXHLRE-CEWLAPEOSA-N 2 2 381.520 3.528 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1O ZINC001203868996 1027672421 /nfs/dbraw/zinc/67/24/21/1027672421.db2.gz KHNBHIQWDXHLRE-CEWLAPEOSA-N 2 2 381.520 3.528 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)cc12 ZINC001461407455 1069537388 /nfs/dbraw/zinc/53/73/88/1069537388.db2.gz OREGYDAQZLCSQO-UHFFFAOYSA-N 2 2 375.948 3.674 20 0 GHADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001142622427 1029167142 /nfs/dbraw/zinc/16/71/42/1029167142.db2.gz DPQCCEXXRRJZIA-NHCUHLMSSA-N 2 2 375.532 3.561 20 0 GHADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001142622427 1029167147 /nfs/dbraw/zinc/16/71/47/1029167147.db2.gz DPQCCEXXRRJZIA-NHCUHLMSSA-N 2 2 375.532 3.561 20 0 GHADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001142622427 1029167151 /nfs/dbraw/zinc/16/71/51/1029167151.db2.gz DPQCCEXXRRJZIA-NHCUHLMSSA-N 2 2 375.532 3.561 20 0 GHADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001142622427 1029167167 /nfs/dbraw/zinc/16/71/67/1029167167.db2.gz DPQCCEXXRRJZIA-NHCUHLMSSA-N 2 2 375.532 3.561 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@@H](C2CCCC2)CC1=O ZINC000842597802 1029403784 /nfs/dbraw/zinc/40/37/84/1029403784.db2.gz CSEDADGMJNYZER-NRFANRHFSA-N 2 2 384.568 3.616 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@@H](C2CCCC2)CC1=O ZINC000842597802 1029403791 /nfs/dbraw/zinc/40/37/91/1029403791.db2.gz CSEDADGMJNYZER-NRFANRHFSA-N 2 2 384.568 3.616 20 0 GHADLP Fc1cc(Br)c(C[NH+]2CCC3(C[NH2+]C3)CC2)c(Br)c1 ZINC001222204397 1030001946 /nfs/dbraw/zinc/00/19/46/1030001946.db2.gz YSUNVZAJBPDHIQ-UHFFFAOYSA-N 2 2 392.110 3.536 20 0 GHADLP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1cc(C)ccc1C(F)(F)F)CC[NH2+]CC2 ZINC001222226060 1030019468 /nfs/dbraw/zinc/01/94/68/1030019468.db2.gz MHYHFCZFLYKVJX-KRWDZBQOSA-N 2 2 384.442 3.521 20 0 GHADLP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1cc(C)ccc1C(F)(F)F)CC[NH2+]CC2 ZINC001222226060 1030019481 /nfs/dbraw/zinc/01/94/81/1030019481.db2.gz MHYHFCZFLYKVJX-KRWDZBQOSA-N 2 2 384.442 3.521 20 0 GHADLP CC(C)[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(=O)OC(C)(C)C ZINC001461613539 1069641103 /nfs/dbraw/zinc/64/11/03/1069641103.db2.gz USUTVBGISAZLKI-NRFANRHFSA-N 2 2 389.584 3.925 20 0 GHADLP CC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001461631522 1069649012 /nfs/dbraw/zinc/64/90/12/1069649012.db2.gz JZMXWNNSJUHNDM-JOCHJYFZSA-N 2 2 386.511 3.648 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC001150186727 1030441071 /nfs/dbraw/zinc/44/10/71/1030441071.db2.gz OTIOCTNLWIKRMH-HBGVWJBISA-N 2 2 385.939 3.722 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC001150186727 1030441077 /nfs/dbraw/zinc/44/10/77/1030441077.db2.gz OTIOCTNLWIKRMH-HBGVWJBISA-N 2 2 385.939 3.722 20 0 GHADLP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001223748409 1030737130 /nfs/dbraw/zinc/73/71/30/1030737130.db2.gz MHVINAVCMUSRPK-GBESFXJTSA-N 2 2 391.519 3.527 20 0 GHADLP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001223748409 1030737149 /nfs/dbraw/zinc/73/71/49/1030737149.db2.gz MHVINAVCMUSRPK-GBESFXJTSA-N 2 2 391.519 3.527 20 0 GHADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1csc(C(F)(F)F)c1-c1ccccc1 ZINC001218605076 1031001869 /nfs/dbraw/zinc/00/18/69/1031001869.db2.gz MAWHOMAIBGJCIK-UHFFFAOYSA-N 2 2 383.439 3.714 20 0 GHADLP CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC001218797639 1031084450 /nfs/dbraw/zinc/08/44/50/1031084450.db2.gz IKXXUCYECWOGFP-KRWDZBQOSA-N 2 2 391.475 3.515 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1(Cc2ccccc2F)CC[NH2+]CC1 ZINC001218812448 1031089466 /nfs/dbraw/zinc/08/94/66/1031089466.db2.gz UGFRENSRGLEDMW-UHFFFAOYSA-N 2 2 378.451 3.562 20 0 GHADLP CC(C)(C)Oc1ccc(C[C@H]([NH3+])C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001218812104 1031090109 /nfs/dbraw/zinc/09/01/09/1031090109.db2.gz NCYSRVKLCFPYKH-FQEVSTJZSA-N 2 2 378.476 3.558 20 0 GHADLP CC(=O)c1ccc(Oc2ccc(NC(=O)c3ccc([C@H]([NH3+])C[NH3+])cc3)cc2)cc1 ZINC001219228001 1031314818 /nfs/dbraw/zinc/31/48/18/1031314818.db2.gz VNPVXDHMRNBFSQ-JOCHJYFZSA-N 2 2 389.455 3.892 20 0 GHADLP Cc1csc(C(=O)N[C@@]23CC[C@@]([NH2+]CCn4cc[nH+]c4)(C2)CCC3)c1Cl ZINC001276804178 1031369266 /nfs/dbraw/zinc/36/92/66/1031369266.db2.gz TWOPSANXJLIKQK-MOPGFXCFSA-N 2 2 392.956 3.771 20 0 GHADLP C[C@H]1CC[C@H](NC(=O)CC2=C(c3ccccc3)[NH2+]C(c3ccccc3)S2)C[NH2+]1 ZINC001219582096 1031510758 /nfs/dbraw/zinc/51/07/58/1031510758.db2.gz ZHMRPLDKZXVCIZ-LPHOPBHVSA-N 2 2 392.548 3.876 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1Cl ZINC001220161304 1031807562 /nfs/dbraw/zinc/80/75/62/1031807562.db2.gz BNCQGCNNDZYHEO-LKUPVBHCSA-N 2 2 377.960 3.761 20 0 GHADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001220186201 1031824832 /nfs/dbraw/zinc/82/48/32/1031824832.db2.gz NJCVUOYGBOGSDB-SJLPKXTDSA-N 2 2 399.913 3.618 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)ccc21 ZINC001205599014 1033486829 /nfs/dbraw/zinc/48/68/29/1033486829.db2.gz KZPQZBWZVWGMIJ-UHFFFAOYSA-N 2 2 381.524 3.829 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH+]2CCC(c3cccnc3)CC2)c2c1OC(F)(F)O2 ZINC001205677359 1033524779 /nfs/dbraw/zinc/52/47/79/1033524779.db2.gz ATWZBVMSCBGXBP-UHFFFAOYSA-N 2 2 389.446 3.844 20 0 GHADLP C[NH+]1CCN(c2cccc(NCc3ccc(-c4ccnc(F)c4)c(F)c3)[nH+]2)CC1 ZINC001157366546 1033556616 /nfs/dbraw/zinc/55/66/16/1033556616.db2.gz KAUFZALRPMYVJJ-UHFFFAOYSA-N 2 2 395.457 3.786 20 0 GHADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC001205916900 1033634602 /nfs/dbraw/zinc/63/46/02/1033634602.db2.gz WGPBHTIRVPAQPX-ZYHUDNBSSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC001205916900 1033634612 /nfs/dbraw/zinc/63/46/12/1033634612.db2.gz WGPBHTIRVPAQPX-ZYHUDNBSSA-N 2 2 381.236 3.907 20 0 GHADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)CC1 ZINC001157916187 1033822721 /nfs/dbraw/zinc/82/27/21/1033822721.db2.gz NDSIOPCWISEQGA-UHFFFAOYSA-N 2 2 388.475 3.530 20 0 GHADLP O=C(c1cccc2c1C[N@H+](Cc1ccccc1)C2)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157970424 1033844456 /nfs/dbraw/zinc/84/44/56/1033844456.db2.gz RQGXHYYQRYCITP-RUZDIDTESA-N 2 2 397.522 3.989 20 0 GHADLP O=C(c1cccc2c1C[N@@H+](Cc1ccccc1)C2)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157970424 1033844473 /nfs/dbraw/zinc/84/44/73/1033844473.db2.gz RQGXHYYQRYCITP-RUZDIDTESA-N 2 2 397.522 3.989 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C[C@@H]1C(F)(F)F ZINC001206691966 1033947052 /nfs/dbraw/zinc/94/70/52/1033947052.db2.gz UPBJBMMBPLBEBB-HPBDAGMYSA-N 2 2 390.490 3.893 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C[C@@H]1C(F)(F)F ZINC001206691966 1033947049 /nfs/dbraw/zinc/94/70/49/1033947049.db2.gz UPBJBMMBPLBEBB-HPBDAGMYSA-N 2 2 390.490 3.893 20 0 GHADLP O=C1CC2(CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)c2ccccc21 ZINC001206735085 1033962149 /nfs/dbraw/zinc/96/21/49/1033962149.db2.gz LRAFFKYMERYULW-UHFFFAOYSA-N 2 2 390.527 3.639 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1)c1ccccc1Cl ZINC001158337453 1034032034 /nfs/dbraw/zinc/03/20/34/1034032034.db2.gz VPCIKYKSBAMTFE-KSEOMHKRSA-N 2 2 397.950 3.821 20 0 GHADLP C[N@H+](Cc1ccccc1CC(F)(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001206846601 1034032747 /nfs/dbraw/zinc/03/27/47/1034032747.db2.gz JVYKOOWMUXUSTE-OAQYLSRUSA-N 2 2 392.465 3.860 20 0 GHADLP C[N@@H+](Cc1ccccc1CC(F)(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001206846601 1034032763 /nfs/dbraw/zinc/03/27/63/1034032763.db2.gz JVYKOOWMUXUSTE-OAQYLSRUSA-N 2 2 392.465 3.860 20 0 GHADLP C[NH+](Cc1ccccc1CC(F)(F)F)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001206846601 1034032776 /nfs/dbraw/zinc/03/27/76/1034032776.db2.gz JVYKOOWMUXUSTE-OAQYLSRUSA-N 2 2 392.465 3.860 20 0 GHADLP C[NH+](Cc1ccccc1CC(F)(F)F)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001206846601 1034032789 /nfs/dbraw/zinc/03/27/89/1034032789.db2.gz JVYKOOWMUXUSTE-OAQYLSRUSA-N 2 2 392.465 3.860 20 0 GHADLP Clc1ccc([C@H]2C[C@@H]2C[NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC001207195823 1034166817 /nfs/dbraw/zinc/16/68/17/1034166817.db2.gz HYEDRKMURGTLBH-UYAOXDASSA-N 2 2 397.954 3.656 20 0 GHADLP Cc1[nH+]c(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)cc2[nH]ccc21 ZINC001158590295 1034181701 /nfs/dbraw/zinc/18/17/01/1034181701.db2.gz NIGZBDONZYHUIT-PXNSSMCTSA-N 2 2 378.476 3.742 20 0 GHADLP CC(C)c1ccc(CC[NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC001207523847 1034427562 /nfs/dbraw/zinc/42/75/62/1034427562.db2.gz NVLMKLSKVKBHSM-UHFFFAOYSA-N 2 2 379.552 3.565 20 0 GHADLP C[C@@H]1C[C@@H]([NH3+])C[C@H](c2ccncc2Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC001159390016 1034576159 /nfs/dbraw/zinc/57/61/59/1034576159.db2.gz MLTKIXAMHGMPNZ-DFQSSKMNSA-N 2 2 380.536 3.888 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1c[nH]c3cccnc13)C2 ZINC001231489627 1034634270 /nfs/dbraw/zinc/63/42/70/1034634270.db2.gz LSILAFMAATVGKT-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1c[nH]c3cccnc13)C2 ZINC001231489627 1034634279 /nfs/dbraw/zinc/63/42/79/1034634279.db2.gz LSILAFMAATVGKT-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1c[nH]c3cccnc13)C2 ZINC001231489627 1034634288 /nfs/dbraw/zinc/63/42/88/1034634288.db2.gz LSILAFMAATVGKT-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1c[nH]c3cccnc13)C2 ZINC001231489627 1034634298 /nfs/dbraw/zinc/63/42/98/1034634298.db2.gz LSILAFMAATVGKT-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H](CC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC001208232293 1034820678 /nfs/dbraw/zinc/82/06/78/1034820678.db2.gz DQZTZSCRJYJXML-SFHVURJKSA-N 2 2 389.540 3.962 20 0 GHADLP CCOc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001231765463 1034896891 /nfs/dbraw/zinc/89/68/91/1034896891.db2.gz UXMUTDXZXINGGP-YUXAGFNASA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ncccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001231765463 1034896903 /nfs/dbraw/zinc/89/69/03/1034896903.db2.gz UXMUTDXZXINGGP-YUXAGFNASA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ncccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231765463 1034896910 /nfs/dbraw/zinc/89/69/10/1034896910.db2.gz UXMUTDXZXINGGP-YUXAGFNASA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ncccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231765463 1034896923 /nfs/dbraw/zinc/89/69/23/1034896923.db2.gz UXMUTDXZXINGGP-YUXAGFNASA-N 2 2 380.536 3.608 20 0 GHADLP CC1(C)C[NH2+]Cc2cc(Nc3ccc(OCC[NH+]4CCOCC4)cc3F)ccc21 ZINC001160285687 1034928033 /nfs/dbraw/zinc/92/80/33/1034928033.db2.gz ZDKPXSPDOKTDDF-UHFFFAOYSA-N 2 2 399.510 3.661 20 0 GHADLP CCCOc1ncccc1C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001231860304 1034949178 /nfs/dbraw/zinc/94/91/78/1034949178.db2.gz BZQIIUHBGBBKCM-HXUWFJFHSA-N 2 2 399.535 3.719 20 0 GHADLP CCCOc1ncccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001231860304 1034949183 /nfs/dbraw/zinc/94/91/83/1034949183.db2.gz BZQIIUHBGBBKCM-HXUWFJFHSA-N 2 2 399.535 3.719 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccc3c[nH]nc3c1)CC2 ZINC001231908139 1034983112 /nfs/dbraw/zinc/98/31/12/1034983112.db2.gz YRUFKZUGDWTFKA-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccc3c[nH]nc3c1)CC2 ZINC001231908139 1034983115 /nfs/dbraw/zinc/98/31/15/1034983115.db2.gz YRUFKZUGDWTFKA-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CC(C)(F)C3)CC2)cc1 ZINC001208818300 1035037871 /nfs/dbraw/zinc/03/78/71/1035037871.db2.gz QBOXBMGBRZMJNO-UHFFFAOYSA-N 2 2 376.516 3.898 20 0 GHADLP COCC[N@H+](Cc1ccc2cc(Br)ccc2n1)C1CC[NH+](C)CC1 ZINC001232104387 1035096392 /nfs/dbraw/zinc/09/63/92/1035096392.db2.gz VCSJBYBPDLWEBC-UHFFFAOYSA-N 2 2 392.341 3.540 20 0 GHADLP COCC[N@@H+](Cc1ccc2cc(Br)ccc2n1)C1CC[NH+](C)CC1 ZINC001232104387 1035096393 /nfs/dbraw/zinc/09/63/93/1035096393.db2.gz VCSJBYBPDLWEBC-UHFFFAOYSA-N 2 2 392.341 3.540 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208942455 1035111999 /nfs/dbraw/zinc/11/19/99/1035111999.db2.gz QLJNCQSQJWIUEV-PCCBWWKXSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208942455 1035112006 /nfs/dbraw/zinc/11/20/06/1035112006.db2.gz QLJNCQSQJWIUEV-PCCBWWKXSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208942455 1035112012 /nfs/dbraw/zinc/11/20/12/1035112012.db2.gz QLJNCQSQJWIUEV-PCCBWWKXSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208942455 1035112023 /nfs/dbraw/zinc/11/20/23/1035112023.db2.gz QLJNCQSQJWIUEV-PCCBWWKXSA-N 2 2 385.552 3.592 20 0 GHADLP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146562 1035125380 /nfs/dbraw/zinc/12/53/80/1035125380.db2.gz UIJITZKKQKUGCL-IBGZPJMESA-N 2 2 379.520 3.719 20 0 GHADLP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146562 1035125382 /nfs/dbraw/zinc/12/53/82/1035125382.db2.gz UIJITZKKQKUGCL-IBGZPJMESA-N 2 2 379.520 3.719 20 0 GHADLP Cc1ccc2c(n1)N(CC1CC1)CC[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C2 ZINC001232148201 1035126627 /nfs/dbraw/zinc/12/66/27/1035126627.db2.gz YJSFQQICRHNFPI-UHFFFAOYSA-N 2 2 382.527 3.823 20 0 GHADLP Cc1ccc2c(n1)N(CC1CC1)CC[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C2 ZINC001232148201 1035126629 /nfs/dbraw/zinc/12/66/29/1035126629.db2.gz YJSFQQICRHNFPI-UHFFFAOYSA-N 2 2 382.527 3.823 20 0 GHADLP CC(C)[N@H+](CC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209016524 1035151076 /nfs/dbraw/zinc/15/10/76/1035151076.db2.gz YQAYIBDMCAIARR-SFHVURJKSA-N 2 2 383.577 3.553 20 0 GHADLP CC(C)[N@@H+](CC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209016524 1035151081 /nfs/dbraw/zinc/15/10/81/1035151081.db2.gz YQAYIBDMCAIARR-SFHVURJKSA-N 2 2 383.577 3.553 20 0 GHADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](CCc1ccc(Cl)cc1Cl)C2 ZINC001209082180 1035166498 /nfs/dbraw/zinc/16/64/98/1035166498.db2.gz YAUAWETYBMCZCD-UHFFFAOYSA-N 2 2 396.366 3.874 20 0 GHADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](CCc1ccc(Cl)cc1Cl)C2 ZINC001209082180 1035166503 /nfs/dbraw/zinc/16/65/03/1035166503.db2.gz YAUAWETYBMCZCD-UHFFFAOYSA-N 2 2 396.366 3.874 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](CCc1ccc(Cl)cc1Cl)C2 ZINC001209082180 1035166508 /nfs/dbraw/zinc/16/65/08/1035166508.db2.gz YAUAWETYBMCZCD-UHFFFAOYSA-N 2 2 396.366 3.874 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](CCc1ccc(Cl)cc1Cl)C2 ZINC001209082180 1035166512 /nfs/dbraw/zinc/16/65/12/1035166512.db2.gz YAUAWETYBMCZCD-UHFFFAOYSA-N 2 2 396.366 3.874 20 0 GHADLP [NH3+][C@@H](CC(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1)c1cccc2ccccc21 ZINC001161472643 1035238745 /nfs/dbraw/zinc/23/87/45/1035238745.db2.gz XIFWWCBZWFBZIU-PMACEKPBSA-N 2 2 387.474 3.562 20 0 GHADLP Clc1ncc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)s1 ZINC001209470211 1035284431 /nfs/dbraw/zinc/28/44/31/1035284431.db2.gz AMXRVRGETVHYET-UHFFFAOYSA-N 2 2 377.941 3.664 20 0 GHADLP Clc1ncc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)s1 ZINC001209470211 1035284438 /nfs/dbraw/zinc/28/44/38/1035284438.db2.gz AMXRVRGETVHYET-UHFFFAOYSA-N 2 2 377.941 3.664 20 0 GHADLP Cc1cccc2c(C[NH+]3CCC4(CCC[N@H+]4Cc4ccn(C)n4)CC3)c[nH]c21 ZINC001209486208 1035289497 /nfs/dbraw/zinc/28/94/97/1035289497.db2.gz PRJAWFICFIVYPC-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP Cc1cccc2c(C[NH+]3CCC4(CCC[N@@H+]4Cc4ccn(C)n4)CC3)c[nH]c21 ZINC001209486208 1035289500 /nfs/dbraw/zinc/28/95/00/1035289500.db2.gz PRJAWFICFIVYPC-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP Cc1cc(N2CCCCC2)[nH+]cc1-c1ccc(C(=O)NCCC[NH+](C)C)cc1 ZINC001241781686 1035697798 /nfs/dbraw/zinc/69/77/98/1035697798.db2.gz OLOIUPRZCRNUIW-UHFFFAOYSA-N 2 2 380.536 3.729 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)Cc2ccc(-n3nccn3)cc2)CC1 ZINC001248772630 1036127552 /nfs/dbraw/zinc/12/75/52/1036127552.db2.gz FXQREDJGVPJGQN-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)Cc2ccc(-n3nccn3)cc2)CC1 ZINC001248772630 1036127557 /nfs/dbraw/zinc/12/75/57/1036127557.db2.gz FXQREDJGVPJGQN-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP COCC[N@H+](Cc1cnc2cc(Br)ccc2c1)C1CC[NH+](C)CC1 ZINC001248866480 1036212046 /nfs/dbraw/zinc/21/20/46/1036212046.db2.gz DFQRMHXKYDLNMV-UHFFFAOYSA-N 2 2 392.341 3.540 20 0 GHADLP COCC[N@@H+](Cc1cnc2cc(Br)ccc2c1)C1CC[NH+](C)CC1 ZINC001248866480 1036212062 /nfs/dbraw/zinc/21/20/62/1036212062.db2.gz DFQRMHXKYDLNMV-UHFFFAOYSA-N 2 2 392.341 3.540 20 0 GHADLP CCCC[C@H](CC)COC[C@@H](O)C[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246034128 1037150404 /nfs/dbraw/zinc/15/04/04/1037150404.db2.gz PWNSHOWIAKYHMW-IQFVJIFQSA-N 2 2 388.596 3.802 20 0 GHADLP CCCC[C@H](CC)COC[C@@H](O)C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246034128 1037150416 /nfs/dbraw/zinc/15/04/16/1037150416.db2.gz PWNSHOWIAKYHMW-IQFVJIFQSA-N 2 2 388.596 3.802 20 0 GHADLP Cc1ccc(C[N@H+](C[C@H](O)c2ccc(F)c(F)c2)C2CC[NH2+]CC2)c(F)c1 ZINC001246054157 1037165220 /nfs/dbraw/zinc/16/52/20/1037165220.db2.gz CUMVJAMWSZGWET-NRFANRHFSA-N 2 2 378.438 3.700 20 0 GHADLP Cc1ccc(C[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)C2CC[NH2+]CC2)c(F)c1 ZINC001246054157 1037165230 /nfs/dbraw/zinc/16/52/30/1037165230.db2.gz CUMVJAMWSZGWET-NRFANRHFSA-N 2 2 378.438 3.700 20 0 GHADLP CC(C)[N@H+](C[C@H](O)COc1cccc2[nH]c3ccccc3c21)[C@@H]1CCC[NH2+]C1 ZINC001246070051 1037186388 /nfs/dbraw/zinc/18/63/88/1037186388.db2.gz QEHBKPMLVNFEGP-MSOLQXFVSA-N 2 2 381.520 3.523 20 0 GHADLP CC(C)[N@@H+](C[C@H](O)COc1cccc2[nH]c3ccccc3c21)[C@@H]1CCC[NH2+]C1 ZINC001246070051 1037186393 /nfs/dbraw/zinc/18/63/93/1037186393.db2.gz QEHBKPMLVNFEGP-MSOLQXFVSA-N 2 2 381.520 3.523 20 0 GHADLP c1ccc(C[NH+](Cc2ccccc2)C2CCC([NH2+]C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC001246090517 1037191076 /nfs/dbraw/zinc/19/10/76/1037191076.db2.gz YHYDESCNLUUBKN-STEQJIOHSA-N 3 2 393.575 3.578 20 0 GHADLP c1ccc(C[NH+](Cc2ccccc2)C2CCC([NH2+]C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC001246090516 1037192082 /nfs/dbraw/zinc/19/20/82/1037192082.db2.gz YHYDESCNLUUBKN-DDJHWDJXSA-N 3 2 393.575 3.578 20 0 GHADLP c1ccc(C[NH+](Cc2ccccc2)C2CCC([NH2+][C@H]3C[NH2+]CCOC3)CC2)cc1 ZINC001246092796 1037193818 /nfs/dbraw/zinc/19/38/18/1037193818.db2.gz KFDBMCNDEJGYJM-BQCMWAFGSA-N 3 2 393.575 3.578 20 0 GHADLP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246189593 1037230167 /nfs/dbraw/zinc/23/01/67/1037230167.db2.gz OEGATVRUVRQQOK-AMGAHSPLSA-N 3 2 375.560 3.831 20 0 GHADLP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246189593 1037230184 /nfs/dbraw/zinc/23/01/84/1037230184.db2.gz OEGATVRUVRQQOK-AMGAHSPLSA-N 3 2 375.560 3.831 20 0 GHADLP Clc1nc(C[NH2+][C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)ccc1Br ZINC001246272604 1037268516 /nfs/dbraw/zinc/26/85/16/1037268516.db2.gz RDCQPNQYDDPDHL-HOCLYGCPSA-N 2 2 394.744 3.950 20 0 GHADLP CCc1ccc(C[N@H+](CC[NH3+])C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)cc1 ZINC001246354822 1037313888 /nfs/dbraw/zinc/31/38/88/1037313888.db2.gz ZKHKAAJHWVRXHK-VSGJHWFKSA-N 2 2 391.559 3.846 20 0 GHADLP CCc1ccc(C[N@@H+](CC[NH3+])C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)cc1 ZINC001246354822 1037313907 /nfs/dbraw/zinc/31/39/07/1037313907.db2.gz ZKHKAAJHWVRXHK-VSGJHWFKSA-N 2 2 391.559 3.846 20 0 GHADLP Clc1ccccc1CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[NH2+]CC1 ZINC001246380112 1037339547 /nfs/dbraw/zinc/33/95/47/1037339547.db2.gz DXBRLUQSIUZHMU-SEJPIABJSA-N 3 2 387.999 4.000 20 0 GHADLP Clc1ccccc1CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[NH2+]CC1 ZINC001246380112 1037339559 /nfs/dbraw/zinc/33/95/59/1037339559.db2.gz DXBRLUQSIUZHMU-SEJPIABJSA-N 3 2 387.999 4.000 20 0 GHADLP Clc1ccccc1CC1([NH2+][C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246382357 1037343248 /nfs/dbraw/zinc/34/32/48/1037343248.db2.gz WJYJRFXZEJBUIP-FCHUYYIVSA-N 3 2 397.994 3.958 20 0 GHADLP CCCC(C[NH3+])(CCC)NC1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001246498650 1037441834 /nfs/dbraw/zinc/44/18/34/1037441834.db2.gz WMHRJQKNPWEQDL-UHFFFAOYSA-N 2 2 377.573 3.556 20 0 GHADLP COc1cccc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)c1 ZINC001246538752 1037469480 /nfs/dbraw/zinc/46/94/80/1037469480.db2.gz NQKVSJZZWCFHSG-OFNKIYASSA-N 2 2 383.511 3.758 20 0 GHADLP CCC[NH+]1CCC([N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001246618731 1037508879 /nfs/dbraw/zinc/50/88/79/1037508879.db2.gz KHGKMDMILNFUMH-QHCPKHFHSA-N 3 2 385.596 3.664 20 0 GHADLP CCC[NH+]1CCC([N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001246618731 1037508896 /nfs/dbraw/zinc/50/88/96/1037508896.db2.gz KHGKMDMILNFUMH-QHCPKHFHSA-N 3 2 385.596 3.664 20 0 GHADLP C[C@@H]1CC([N@H+]2C[C@H]3c4ccccc4CN[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246662427 1037533327 /nfs/dbraw/zinc/53/33/27/1037533327.db2.gz IZIDUDXXSGLTKX-ZSVMJGIMSA-N 2 2 375.560 3.999 20 0 GHADLP C[C@@H]1CC([N@@H+]2C[C@H]3c4ccccc4CN[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246662427 1037533344 /nfs/dbraw/zinc/53/33/44/1037533344.db2.gz IZIDUDXXSGLTKX-ZSVMJGIMSA-N 2 2 375.560 3.999 20 0 GHADLP c1ccc(C[N@@H+]2CCOC3(CC[NH+]([C@@H]4CC[NH2+]C5(CCCCC5)C4)CC3)C2)cc1 ZINC001246753765 1037593321 /nfs/dbraw/zinc/59/33/21/1037593321.db2.gz CTLBMNYEMKUXAB-HSZRJFAPSA-N 3 2 397.607 3.808 20 0 GHADLP c1ccc(C[N@H+]2CCOC3(CC[NH+]([C@@H]4CC[NH2+]C5(CCCCC5)C4)CC3)C2)cc1 ZINC001246753765 1037593330 /nfs/dbraw/zinc/59/33/30/1037593330.db2.gz CTLBMNYEMKUXAB-HSZRJFAPSA-N 3 2 397.607 3.808 20 0 GHADLP FC(F)(F)[C@@H]1C[C@@H]([NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)CCN1 ZINC001246776736 1037617492 /nfs/dbraw/zinc/61/74/92/1037617492.db2.gz OXLNRHQEIWRNOX-KSSFIOAISA-N 2 2 398.860 3.693 20 0 GHADLP Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN([C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246789618 1037628237 /nfs/dbraw/zinc/62/82/37/1037628237.db2.gz MIASCWQYCDPGQZ-QFIPXVFZSA-N 2 2 385.502 3.814 20 0 GHADLP O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1)c1ccc(F)cc1 ZINC001246956634 1037767676 /nfs/dbraw/zinc/76/76/76/1037767676.db2.gz ZXIXOEUKGJCMEA-VSKRKVRLSA-N 2 2 381.495 3.513 20 0 GHADLP O=C(N[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1)c1ccc(F)cc1 ZINC001246956634 1037767702 /nfs/dbraw/zinc/76/77/02/1037767702.db2.gz ZXIXOEUKGJCMEA-VSKRKVRLSA-N 2 2 381.495 3.513 20 0 GHADLP COc1ccc(OC2CC[NH+]([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)nc1 ZINC001246971256 1037794981 /nfs/dbraw/zinc/79/49/81/1037794981.db2.gz BQBHUSJWJCQBCF-AVRDEDQJSA-N 2 2 399.510 3.874 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3nc4ccccc4o3)C[C@@H]21 ZINC001232557838 1038326892 /nfs/dbraw/zinc/32/68/92/1038326892.db2.gz KDKUIDKFZIEDBR-SLYNCCJLSA-N 2 2 376.504 3.955 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3nc4ccccc4o3)C[C@@H]21 ZINC001232557838 1038326905 /nfs/dbraw/zinc/32/69/05/1038326905.db2.gz KDKUIDKFZIEDBR-SLYNCCJLSA-N 2 2 376.504 3.955 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3nc4ccccc4o3)C[C@@H]21 ZINC001232557838 1038326916 /nfs/dbraw/zinc/32/69/16/1038326916.db2.gz KDKUIDKFZIEDBR-SLYNCCJLSA-N 2 2 376.504 3.955 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc4ccccc4o3)C[C@@H]21 ZINC001232557838 1038326928 /nfs/dbraw/zinc/32/69/28/1038326928.db2.gz KDKUIDKFZIEDBR-SLYNCCJLSA-N 2 2 376.504 3.955 20 0 GHADLP FC(F)(F)c1ccc(Cl)cc1-c1noc([C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001247862359 1038432590 /nfs/dbraw/zinc/43/25/90/1038432590.db2.gz VNFMXHBJRKLFCI-CYBMUJFWSA-N 2 2 386.805 3.956 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cccc(O)c4F)CC3)C2)cc1 ZINC001233052865 1038810966 /nfs/dbraw/zinc/81/09/66/1038810966.db2.gz YTJJNLMJCNNNRQ-UHFFFAOYSA-N 2 2 384.495 3.707 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc(O)c4F)CC3)C2)cc1 ZINC001233052865 1038810995 /nfs/dbraw/zinc/81/09/95/1038810995.db2.gz YTJJNLMJCNNNRQ-UHFFFAOYSA-N 2 2 384.495 3.707 20 0 GHADLP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1ccc(Cl)o1)CC2 ZINC001233314976 1039105978 /nfs/dbraw/zinc/10/59/78/1039105978.db2.gz SLPMZYVXDWRFFR-OAHLLOKOSA-N 2 2 395.956 3.893 20 0 GHADLP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1ccc(Cl)o1)CC2 ZINC001233314976 1039105984 /nfs/dbraw/zinc/10/59/84/1039105984.db2.gz SLPMZYVXDWRFFR-OAHLLOKOSA-N 2 2 395.956 3.893 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC001252758220 1039142894 /nfs/dbraw/zinc/14/28/94/1039142894.db2.gz LJFYEWANVLYFHA-CTNGQTDRSA-N 2 2 384.520 3.581 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC001252758220 1039142914 /nfs/dbraw/zinc/14/29/14/1039142914.db2.gz LJFYEWANVLYFHA-CTNGQTDRSA-N 2 2 384.520 3.581 20 0 GHADLP CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001252762007 1039150554 /nfs/dbraw/zinc/15/05/54/1039150554.db2.gz YNTMMWYPNSSUOS-OAQYLSRUSA-N 2 2 379.504 3.699 20 0 GHADLP Fc1cc(F)cc(-c2n[nH]cc2C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001233405443 1039252427 /nfs/dbraw/zinc/25/24/27/1039252427.db2.gz YLFVRIZAUILQTQ-PMACEKPBSA-N 2 2 394.469 3.919 20 0 GHADLP Clc1ccc2cc(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)ccc2n1 ZINC001233443473 1039327524 /nfs/dbraw/zinc/32/75/24/1039327524.db2.gz FSRZGRMFYAWJMS-KDURUIRLSA-N 2 2 378.907 3.847 20 0 GHADLP Clc1ccc2cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)ccc2n1 ZINC001233443473 1039327543 /nfs/dbraw/zinc/32/75/43/1039327543.db2.gz FSRZGRMFYAWJMS-KDURUIRLSA-N 2 2 378.907 3.847 20 0 GHADLP Clc1ccc2cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)ccc2n1 ZINC001233443473 1039327564 /nfs/dbraw/zinc/32/75/64/1039327564.db2.gz FSRZGRMFYAWJMS-KDURUIRLSA-N 2 2 378.907 3.847 20 0 GHADLP Clc1ccc2cc(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)ccc2n1 ZINC001233443473 1039327576 /nfs/dbraw/zinc/32/75/76/1039327576.db2.gz FSRZGRMFYAWJMS-KDURUIRLSA-N 2 2 378.907 3.847 20 0 GHADLP O[C@H](C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccc(F)c(F)c1 ZINC001253360770 1039572941 /nfs/dbraw/zinc/57/29/41/1039572941.db2.gz KUYQLSPNQPIQFQ-DHIUTWEWSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@H](C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccc(F)c(F)c1 ZINC001253360770 1039572944 /nfs/dbraw/zinc/57/29/44/1039572944.db2.gz KUYQLSPNQPIQFQ-DHIUTWEWSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@H](C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(F)c(F)c1 ZINC001253360770 1039572952 /nfs/dbraw/zinc/57/29/52/1039572952.db2.gz KUYQLSPNQPIQFQ-DHIUTWEWSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@H](C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccc(F)c(F)c1 ZINC001253360770 1039572960 /nfs/dbraw/zinc/57/29/60/1039572960.db2.gz KUYQLSPNQPIQFQ-DHIUTWEWSA-N 2 2 386.486 3.986 20 0 GHADLP CC[C@H](C)[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C(=O)Nc1ccc2ccccc2c1 ZINC001253410087 1039605875 /nfs/dbraw/zinc/60/58/75/1039605875.db2.gz AYTNISALAPUGEK-NDXORKPFSA-N 2 2 385.552 3.532 20 0 GHADLP COc1cc(C[NH+]2CCC3(CC2)OCCc2ccccc23)ccc1-n1cc[nH+]c1 ZINC001234075830 1039814322 /nfs/dbraw/zinc/81/43/22/1039814322.db2.gz PJRUUARFESGJDL-UHFFFAOYSA-N 2 2 389.499 3.945 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@H]([NH+]2CCC([NH+]3CCC(F)CC3)CC2)C1 ZINC001254204387 1040053714 /nfs/dbraw/zinc/05/37/14/1040053714.db2.gz ZAVMULVRYCFTLI-IBGZPJMESA-N 2 2 383.552 3.674 20 0 GHADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(OCc2ccccc2)cc1Cl ZINC001234681224 1040213551 /nfs/dbraw/zinc/21/35/51/1040213551.db2.gz ROWDTSFPMFWCQP-UHFFFAOYSA-N 2 2 387.955 3.598 20 0 GHADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(OCc2ccccc2)cc1Cl ZINC001234681224 1040213562 /nfs/dbraw/zinc/21/35/62/1040213562.db2.gz ROWDTSFPMFWCQP-UHFFFAOYSA-N 2 2 387.955 3.598 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001254493797 1040279022 /nfs/dbraw/zinc/27/90/22/1040279022.db2.gz GRLRDHYUVOXKPW-SMIHKQSGSA-N 2 2 380.580 3.975 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001254493797 1040279036 /nfs/dbraw/zinc/27/90/36/1040279036.db2.gz GRLRDHYUVOXKPW-SMIHKQSGSA-N 2 2 380.580 3.975 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001254493797 1040279052 /nfs/dbraw/zinc/27/90/52/1040279052.db2.gz GRLRDHYUVOXKPW-SMIHKQSGSA-N 2 2 380.580 3.975 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001254493797 1040279062 /nfs/dbraw/zinc/27/90/62/1040279062.db2.gz GRLRDHYUVOXKPW-SMIHKQSGSA-N 2 2 380.580 3.975 20 0 GHADLP Brc1cc(CN2CCC([NH+]3CCCC3)CC2)ccc1-n1cc[nH+]c1 ZINC001235016780 1040504092 /nfs/dbraw/zinc/50/40/92/1040504092.db2.gz CAMOJDGQNYFZHT-UHFFFAOYSA-N 2 2 389.341 3.695 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC[C@@]1(C)O ZINC001235019939 1040511119 /nfs/dbraw/zinc/51/11/19/1040511119.db2.gz NNYAZQWOHFAAKM-RDTXWAMCSA-N 2 2 378.314 3.618 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC[C@@]1(C)O ZINC001235019939 1040511137 /nfs/dbraw/zinc/51/11/37/1040511137.db2.gz NNYAZQWOHFAAKM-RDTXWAMCSA-N 2 2 378.314 3.618 20 0 GHADLP FC(F)(F)c1ccc(CC2([NH2+][C@H]3CC4CC[NH+](CC4)C3)CCOCC2)cc1 ZINC001254845225 1040589030 /nfs/dbraw/zinc/58/90/30/1040589030.db2.gz NYAFKFQTDYSYPV-IBGZPJMESA-N 2 2 382.470 3.871 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@]12CCC[N@@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254856539 1040601658 /nfs/dbraw/zinc/60/16/58/1040601658.db2.gz UZHZYFVYWWHOLH-KNQAVFIVSA-N 2 2 377.573 3.726 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@]12CCC[N@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254856539 1040601669 /nfs/dbraw/zinc/60/16/69/1040601669.db2.gz UZHZYFVYWWHOLH-KNQAVFIVSA-N 2 2 377.573 3.726 20 0 GHADLP CC[N@H+](C1CC[NH+](C)CC1)C1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254880885 1040630814 /nfs/dbraw/zinc/63/08/14/1040630814.db2.gz PRAKXXZBGPKJCU-UHFFFAOYSA-N 2 2 379.589 3.972 20 0 GHADLP CC[N@@H+](C1CC[NH+](C)CC1)C1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254880885 1040630827 /nfs/dbraw/zinc/63/08/27/1040630827.db2.gz PRAKXXZBGPKJCU-UHFFFAOYSA-N 2 2 379.589 3.972 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc3c(cccc3Br)[nH]1)CC2 ZINC001235218487 1040699800 /nfs/dbraw/zinc/69/98/00/1040699800.db2.gz KWGJOFBWZDQHDX-UHFFFAOYSA-N 2 2 391.313 3.560 20 0 GHADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cccc(OCc3ccccc3)c1)C2 ZINC001235223406 1040705121 /nfs/dbraw/zinc/70/51/21/1040705121.db2.gz DWVFRECXHATZPK-ICSRJNTNSA-N 2 2 376.422 3.849 20 0 GHADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cccc(OCc3ccccc3)c1)C2 ZINC001235223406 1040705135 /nfs/dbraw/zinc/70/51/35/1040705135.db2.gz DWVFRECXHATZPK-ICSRJNTNSA-N 2 2 376.422 3.849 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cn2)cc1 ZINC001235268974 1040746967 /nfs/dbraw/zinc/74/69/67/1040746967.db2.gz KECLELRVYMFOGB-VQIMIIECSA-N 2 2 377.410 3.831 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cn2)cc1 ZINC001235268974 1040746982 /nfs/dbraw/zinc/74/69/82/1040746982.db2.gz KECLELRVYMFOGB-VQIMIIECSA-N 2 2 377.410 3.831 20 0 GHADLP CC(C)COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ncn1 ZINC001255133540 1040830233 /nfs/dbraw/zinc/83/02/33/1040830233.db2.gz UQMQKOKVVHWYBM-MMVMTREESA-N 2 2 380.536 3.797 20 0 GHADLP CC(C)COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ncn1 ZINC001255133540 1040830243 /nfs/dbraw/zinc/83/02/43/1040830243.db2.gz UQMQKOKVVHWYBM-MMVMTREESA-N 2 2 380.536 3.797 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc(F)c1OC ZINC001235364340 1040852710 /nfs/dbraw/zinc/85/27/10/1040852710.db2.gz LRDDPEOCNLCIIM-CVDCTZTESA-N 2 2 384.495 3.596 20 0 GHADLP COc1cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc(F)c1OC ZINC001235364340 1040852739 /nfs/dbraw/zinc/85/27/39/1040852739.db2.gz LRDDPEOCNLCIIM-CVDCTZTESA-N 2 2 384.495 3.596 20 0 GHADLP COc1cc(F)c(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1OC ZINC001235374734 1040883123 /nfs/dbraw/zinc/88/31/23/1040883123.db2.gz YHXOBPJEFPIJOF-WMZHIEFXSA-N 2 2 384.495 3.596 20 0 GHADLP COc1cc(F)c(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1OC ZINC001235374734 1040883139 /nfs/dbraw/zinc/88/31/39/1040883139.db2.gz YHXOBPJEFPIJOF-WMZHIEFXSA-N 2 2 384.495 3.596 20 0 GHADLP Oc1ccc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1C(F)(F)F ZINC001235377510 1040889429 /nfs/dbraw/zinc/88/94/29/1040889429.db2.gz UORFBKQXQTYVLI-QUCCMNQESA-N 2 2 376.422 3.990 20 0 GHADLP Oc1ccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1C(F)(F)F ZINC001235377510 1040889446 /nfs/dbraw/zinc/88/94/46/1040889446.db2.gz UORFBKQXQTYVLI-QUCCMNQESA-N 2 2 376.422 3.990 20 0 GHADLP Clc1cnc(CN[C@@]23CC[C@@]([NH2+]CCn4cc[nH+]c4)(C2)CCC3)c(Cl)c1 ZINC001278859287 1040950469 /nfs/dbraw/zinc/95/04/69/1040950469.db2.gz XDBNCKKQHHYARJ-MOPGFXCFSA-N 2 2 394.350 3.810 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)C1 ZINC001255350127 1040955505 /nfs/dbraw/zinc/95/55/05/1040955505.db2.gz RJLBRBQMVOHATR-LAUBAEHRSA-N 2 2 376.516 3.810 20 0 GHADLP Cn1cnc2c1cc(C1CC[NH+](C[C@@H]3CCCC[NH2+]3)CC1)nc2-c1ccccc1 ZINC001235486352 1040958283 /nfs/dbraw/zinc/95/82/83/1040958283.db2.gz AVWXBNOJLYKAGD-FQEVSTJZSA-N 2 2 389.547 3.957 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC001255384278 1040973884 /nfs/dbraw/zinc/97/38/84/1040973884.db2.gz XEQMGOAOUXHONA-VWLOTQADSA-N 3 2 393.575 3.663 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC001255384278 1040973887 /nfs/dbraw/zinc/97/38/87/1040973887.db2.gz XEQMGOAOUXHONA-VWLOTQADSA-N 3 2 393.575 3.663 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]Cc3cc(OCC4CCC4)ncn3)CC2)cc1 ZINC001255394063 1040981484 /nfs/dbraw/zinc/98/14/84/1040981484.db2.gz VTKHCSXMDRDQGP-OAQYLSRUSA-N 2 2 380.536 3.800 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]Cc3cc(OCC4CCC4)ncn3)CC2)cc1 ZINC001255394063 1040981485 /nfs/dbraw/zinc/98/14/85/1040981485.db2.gz VTKHCSXMDRDQGP-OAQYLSRUSA-N 2 2 380.536 3.800 20 0 GHADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC001462510580 1070314630 /nfs/dbraw/zinc/31/46/30/1070314630.db2.gz UGVFMLBHHXFEGH-UXHICEINSA-N 2 2 375.557 3.586 20 0 GHADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC001462510580 1070314651 /nfs/dbraw/zinc/31/46/51/1070314651.db2.gz UGVFMLBHHXFEGH-UXHICEINSA-N 2 2 375.557 3.586 20 0 GHADLP c1cc(-c2ccc3c(C4C[NH+](Cc5ccc6c(c5)C[NH2+]CC6)C4)[nH+]cn3c2)co1 ZINC001235656257 1041103033 /nfs/dbraw/zinc/10/30/33/1041103033.db2.gz COJSBNXHYODERH-UHFFFAOYSA-N 3 2 384.483 3.839 20 0 GHADLP C[NH2+]CC1CC[NH+](Cc2c(F)ccc(Br)c2Br)CC1 ZINC001235680776 1041143400 /nfs/dbraw/zinc/14/34/00/1041143400.db2.gz XALADNJEHLVIFT-UHFFFAOYSA-N 2 2 394.126 3.782 20 0 GHADLP FC(F)(F)c1ccc(C[NH+]2CCC([NH2+]C3CCC4(CC3)OCCO4)CC2)cc1 ZINC001255613249 1041169262 /nfs/dbraw/zinc/16/92/62/1041169262.db2.gz JKTNRLCJYHFYTI-UHFFFAOYSA-N 2 2 398.469 3.945 20 0 GHADLP c1ccc(C(c2ccccc2)[NH+]2CC(C[NH2+]C3CCC4(CC3)OCCO4)C2)cc1 ZINC001255613964 1041169414 /nfs/dbraw/zinc/16/94/14/1041169414.db2.gz BPOCAKPHIODVSB-UHFFFAOYSA-N 2 2 392.543 3.983 20 0 GHADLP COCC[N@H+](Cc1ccc2cc(Br)cnc2c1)C1CC[NH+](C)CC1 ZINC001235739780 1041226975 /nfs/dbraw/zinc/22/69/75/1041226975.db2.gz QSTPGZJJZNOHLR-UHFFFAOYSA-N 2 2 392.341 3.540 20 0 GHADLP COCC[N@@H+](Cc1ccc2cc(Br)cnc2c1)C1CC[NH+](C)CC1 ZINC001235739780 1041226987 /nfs/dbraw/zinc/22/69/87/1041226987.db2.gz QSTPGZJJZNOHLR-UHFFFAOYSA-N 2 2 392.341 3.540 20 0 GHADLP Cc1ccc(Br)c(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1F ZINC001235749257 1041236722 /nfs/dbraw/zinc/23/67/22/1041236722.db2.gz BBLQNQFQIMUVMQ-UHFFFAOYSA-N 2 2 384.293 3.527 20 0 GHADLP COCCC[N@H+](Cc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235808438 1041318428 /nfs/dbraw/zinc/31/84/28/1041318428.db2.gz SUXAKHGJXWXNBG-OAQYLSRUSA-N 2 2 378.520 3.616 20 0 GHADLP COCCC[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235808438 1041318439 /nfs/dbraw/zinc/31/84/39/1041318439.db2.gz SUXAKHGJXWXNBG-OAQYLSRUSA-N 2 2 378.520 3.616 20 0 GHADLP CC1([NH+]2CCN(Cc3ccc(OCc4cccc(F)c4)cc3)CC2)CC[NH2+]CC1 ZINC001235816163 1041330242 /nfs/dbraw/zinc/33/02/42/1041330242.db2.gz RNQGIGBNRRYFRT-UHFFFAOYSA-N 2 2 397.538 3.664 20 0 GHADLP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3F)CC2)c1 ZINC001255852242 1041348195 /nfs/dbraw/zinc/34/81/95/1041348195.db2.gz BBEDIGSZDGSMCF-KRWDZBQOSA-N 2 2 384.495 3.798 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2cccnc2)C1 ZINC001255963285 1041444563 /nfs/dbraw/zinc/44/45/63/1041444563.db2.gz PGKGAQMZVKZEQK-ACIOBRDBSA-N 2 2 389.584 3.590 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCO[C@]2(CCC[C@H]2COCc2cccnc2)C1 ZINC001255963285 1041444574 /nfs/dbraw/zinc/44/45/74/1041444574.db2.gz PGKGAQMZVKZEQK-ACIOBRDBSA-N 2 2 389.584 3.590 20 0 GHADLP COC(=O)[C@@H]([NH3+])C1CC[NH+](Cc2c(Cl)c(Cl)ccc2C(F)(F)F)CC1 ZINC001236067126 1041518541 /nfs/dbraw/zinc/51/85/41/1041518541.db2.gz RHEKCMAYKWOPMV-AWEZNQCLSA-N 2 2 399.240 3.725 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001236072621 1041523192 /nfs/dbraw/zinc/52/31/92/1041523192.db2.gz UEPQTGUPMXSLRE-KRWDZBQOSA-N 2 2 384.593 3.625 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001236072621 1041523197 /nfs/dbraw/zinc/52/31/97/1041523197.db2.gz UEPQTGUPMXSLRE-KRWDZBQOSA-N 2 2 384.593 3.625 20 0 GHADLP C[C@H]1C[N@H+](Cc2cnc(NC(=O)OC(C)(C)C)s2)CCN1c1cc[nH+]cc1 ZINC001462550132 1070354242 /nfs/dbraw/zinc/35/42/42/1070354242.db2.gz OCLWWDYUGACXHR-AWEZNQCLSA-N 2 2 389.525 3.596 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cnc(NC(=O)OC(C)(C)C)s2)CCN1c1cc[nH+]cc1 ZINC001462550132 1070354260 /nfs/dbraw/zinc/35/42/60/1070354260.db2.gz OCLWWDYUGACXHR-AWEZNQCLSA-N 2 2 389.525 3.596 20 0 GHADLP C[N@@H+](Cc1ccc(Cl)c(I)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219238 1041627888 /nfs/dbraw/zinc/62/78/88/1041627888.db2.gz UYGNLDPEWTZJBS-KGLIPLIRSA-N 2 2 378.685 3.646 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214324 1041624386 /nfs/dbraw/zinc/62/43/86/1041624386.db2.gz SKVIHUDKYZDYDS-BEFAXECRSA-N 3 2 385.930 3.727 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214324 1041624398 /nfs/dbraw/zinc/62/43/98/1041624398.db2.gz SKVIHUDKYZDYDS-BEFAXECRSA-N 3 2 385.930 3.727 20 0 GHADLP C[C@@H]1CNCC(F)(F)[C@H]1C[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214324 1041624402 /nfs/dbraw/zinc/62/44/02/1041624402.db2.gz SKVIHUDKYZDYDS-BEFAXECRSA-N 2 2 385.930 3.727 20 0 GHADLP C[C@@H]1CNCC(F)(F)[C@H]1C[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214324 1041624404 /nfs/dbraw/zinc/62/44/04/1041624404.db2.gz SKVIHUDKYZDYDS-BEFAXECRSA-N 2 2 385.930 3.727 20 0 GHADLP C[N@H+](Cc1ccc(Cl)c(I)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219238 1041627886 /nfs/dbraw/zinc/62/78/86/1041627886.db2.gz UYGNLDPEWTZJBS-KGLIPLIRSA-N 2 2 378.685 3.646 20 0 GHADLP C[N@H+](Cc1cc(I)ccc1Cl)C1(C)CC[NH2+]CC1 ZINC001236227561 1041634017 /nfs/dbraw/zinc/63/40/17/1041634017.db2.gz HDUIPBFIWICSTE-UHFFFAOYSA-N 2 2 378.685 3.519 20 0 GHADLP C[N@@H+](Cc1cc(I)ccc1Cl)C1(C)CC[NH2+]CC1 ZINC001236227561 1041634026 /nfs/dbraw/zinc/63/40/26/1041634026.db2.gz HDUIPBFIWICSTE-UHFFFAOYSA-N 2 2 378.685 3.519 20 0 GHADLP Fc1ccccc1CN(Cc1c[nH+]cn1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236357312 1041681377 /nfs/dbraw/zinc/68/13/77/1041681377.db2.gz PRDJPWFZQMGGAZ-OAQYLSRUSA-N 2 2 378.495 3.825 20 0 GHADLP Clc1ccc(N2CCC([N@@H+]3CCc4onc(Cn5cc[nH+]c5)c4C3)CC2)cc1 ZINC001256310113 1041696557 /nfs/dbraw/zinc/69/65/57/1041696557.db2.gz MGNGGIHTOGLVRY-UHFFFAOYSA-N 2 2 397.910 3.600 20 0 GHADLP Clc1ccc(N2CCC([N@H+]3CCc4onc(Cn5cc[nH+]c5)c4C3)CC2)cc1 ZINC001256310113 1041696561 /nfs/dbraw/zinc/69/65/61/1041696561.db2.gz MGNGGIHTOGLVRY-UHFFFAOYSA-N 2 2 397.910 3.600 20 0 GHADLP Clc1ccc(N2CCC([NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)CC2)cc1 ZINC001256309871 1041696726 /nfs/dbraw/zinc/69/67/26/1041696726.db2.gz KBINPJXOGPQUKO-RTBURBONSA-N 2 2 396.966 3.768 20 0 GHADLP COC(=O)[C@H]1C[N@H+](Cc2ccccc2Sc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC001236414100 1041706059 /nfs/dbraw/zinc/70/60/59/1041706059.db2.gz JPTODRCDDFLABH-ROUUACIJSA-N 2 2 390.936 3.813 20 0 GHADLP COC(=O)[C@H]1C[N@@H+](Cc2ccccc2Sc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC001236414100 1041706067 /nfs/dbraw/zinc/70/60/67/1041706067.db2.gz JPTODRCDDFLABH-ROUUACIJSA-N 2 2 390.936 3.813 20 0 GHADLP O=C(C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC001462559166 1070362419 /nfs/dbraw/zinc/36/24/19/1070362419.db2.gz RZEVMBJILJEDIS-KKSFZXQISA-N 2 2 385.458 3.861 20 0 GHADLP O=C(C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC001462559166 1070362436 /nfs/dbraw/zinc/36/24/36/1070362436.db2.gz RZEVMBJILJEDIS-KKSFZXQISA-N 2 2 385.458 3.861 20 0 GHADLP C[NH+]1CCC2(C[NH+](Cc3cccc(C(F)(F)F)c3Br)C2)CC1 ZINC001236735881 1041866308 /nfs/dbraw/zinc/86/63/08/1041866308.db2.gz QOOHHAHFHOHBTG-UHFFFAOYSA-N 2 2 377.248 3.996 20 0 GHADLP CCC[N@@H+](Cc1cc(OC(F)F)ccc1Br)C[C@@H]1CC[NH2+]C1 ZINC001236844135 1041925636 /nfs/dbraw/zinc/92/56/36/1041925636.db2.gz TXTMOGRYIUVBND-GFCCVEGCSA-N 2 2 377.273 3.872 20 0 GHADLP CCC[N@H+](Cc1cc(OC(F)F)ccc1Br)C[C@@H]1CC[NH2+]C1 ZINC001236844135 1041925640 /nfs/dbraw/zinc/92/56/40/1041925640.db2.gz TXTMOGRYIUVBND-GFCCVEGCSA-N 2 2 377.273 3.872 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)Cc2cccc(-n3cncn3)c2)CC1 ZINC001236887194 1041940694 /nfs/dbraw/zinc/94/06/94/1041940694.db2.gz LRADUJSUPFWXMD-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)Cc2cccc(-n3cncn3)c2)CC1 ZINC001236887194 1041940698 /nfs/dbraw/zinc/94/06/98/1041940698.db2.gz LRADUJSUPFWXMD-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP COC(=O)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@@H]1c1ccccc1 ZINC001236911260 1041953364 /nfs/dbraw/zinc/95/33/64/1041953364.db2.gz WXMUHZKKUHPAOL-MOPGFXCFSA-N 2 2 395.890 3.914 20 0 GHADLP COC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@@H]1c1ccccc1 ZINC001236911260 1041953367 /nfs/dbraw/zinc/95/33/67/1041953367.db2.gz WXMUHZKKUHPAOL-MOPGFXCFSA-N 2 2 395.890 3.914 20 0 GHADLP O=C(NC1CCC1)[C@H]1C[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C[C@H]2C1 ZINC001236922088 1041960035 /nfs/dbraw/zinc/96/00/35/1041960035.db2.gz NSGONCCRZMQFAE-NNZMDNLPSA-N 2 2 398.938 3.652 20 0 GHADLP O=C(NC1CCC1)[C@H]1C[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C[C@H]2C1 ZINC001236922088 1041960039 /nfs/dbraw/zinc/96/00/39/1041960039.db2.gz NSGONCCRZMQFAE-NNZMDNLPSA-N 2 2 398.938 3.652 20 0 GHADLP COc1cccnc1O[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236928109 1041962268 /nfs/dbraw/zinc/96/22/68/1041962268.db2.gz HXQUGCOHPXIWEL-KRWDZBQOSA-N 2 2 384.867 3.583 20 0 GHADLP COc1cccnc1O[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236928109 1041962269 /nfs/dbraw/zinc/96/22/69/1041962269.db2.gz HXQUGCOHPXIWEL-KRWDZBQOSA-N 2 2 384.867 3.583 20 0 GHADLP C[NH+]1CCN(c2cc(Br)ccc2C[NH+]2CC3(C2)CCCC3)CC1 ZINC001237095763 1042033324 /nfs/dbraw/zinc/03/33/24/1042033324.db2.gz PSDQQGIXSBPGDU-UHFFFAOYSA-N 2 2 378.358 3.577 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(OC(C)(C)C)c3)CC2)C1 ZINC001237104096 1042038620 /nfs/dbraw/zinc/03/86/20/1042038620.db2.gz DWSAYWSPOGNQRL-LJQANCHMSA-N 2 2 388.552 3.713 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(OC(C)(C)C)c3)CC2)C1 ZINC001237104096 1042038625 /nfs/dbraw/zinc/03/86/25/1042038625.db2.gz DWSAYWSPOGNQRL-LJQANCHMSA-N 2 2 388.552 3.713 20 0 GHADLP Cc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1I ZINC001237160213 1042071760 /nfs/dbraw/zinc/07/17/60/1042071760.db2.gz HOAFHLUYUNKXTO-MRXNPFEDSA-N 2 2 384.305 3.706 20 0 GHADLP Cc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1I ZINC001237160213 1042071764 /nfs/dbraw/zinc/07/17/64/1042071764.db2.gz HOAFHLUYUNKXTO-MRXNPFEDSA-N 2 2 384.305 3.706 20 0 GHADLP COc1cc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)ccc1-n1ccnc1 ZINC001237290194 1042127760 /nfs/dbraw/zinc/12/77/60/1042127760.db2.gz YVNSGVFDIGNIBV-UHFFFAOYSA-N 2 2 388.515 3.518 20 0 GHADLP CC(=O)Nc1ccccc1C[NH+]1CCC2(CCC[N@@H+]2Cc2c(C)noc2C)CC1 ZINC001237407574 1042195357 /nfs/dbraw/zinc/19/53/57/1042195357.db2.gz WVKHWBHATMGKLK-UHFFFAOYSA-N 2 2 396.535 3.880 20 0 GHADLP CC(=O)Nc1ccccc1C[NH+]1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001237407574 1042195359 /nfs/dbraw/zinc/19/53/59/1042195359.db2.gz WVKHWBHATMGKLK-UHFFFAOYSA-N 2 2 396.535 3.880 20 0 GHADLP CCOC(=O)[C@@H]1C[N@H+](Cc2c(Cl)cc(Cl)cc2Cl)CCC12C[NH2+]C2 ZINC001237431024 1042205781 /nfs/dbraw/zinc/20/57/81/1042205781.db2.gz PJORFRPEFDMGKN-ZDUSSCGKSA-N 2 2 391.726 3.621 20 0 GHADLP CCOC(=O)[C@@H]1C[N@@H+](Cc2c(Cl)cc(Cl)cc2Cl)CCC12C[NH2+]C2 ZINC001237431024 1042205784 /nfs/dbraw/zinc/20/57/84/1042205784.db2.gz PJORFRPEFDMGKN-ZDUSSCGKSA-N 2 2 391.726 3.621 20 0 GHADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4Oc4cnccn4)C[C@H]3C2)c1 ZINC001238011104 1042458184 /nfs/dbraw/zinc/45/81/84/1042458184.db2.gz JHKKOSYWGWVXGZ-KDURUIRLSA-N 2 2 392.528 3.894 20 0 GHADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4Oc4cnccn4)C[C@H]3C2)c1 ZINC001238011104 1042458188 /nfs/dbraw/zinc/45/81/88/1042458188.db2.gz JHKKOSYWGWVXGZ-KDURUIRLSA-N 2 2 392.528 3.894 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4Oc4cnccn4)C[C@H]3C2)c1 ZINC001238011104 1042458190 /nfs/dbraw/zinc/45/81/90/1042458190.db2.gz JHKKOSYWGWVXGZ-KDURUIRLSA-N 2 2 392.528 3.894 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4Oc4cnccn4)C[C@H]3C2)c1 ZINC001238011104 1042458194 /nfs/dbraw/zinc/45/81/94/1042458194.db2.gz JHKKOSYWGWVXGZ-KDURUIRLSA-N 2 2 392.528 3.894 20 0 GHADLP C[NH+](C)CCN1CC2(C1)C[NH+](CC1=CSC(=C3SC=CS3)S1)C2 ZINC001278224160 1042573881 /nfs/dbraw/zinc/57/38/81/1042573881.db2.gz VVFOAABFBMQLTD-UHFFFAOYSA-N 2 2 385.649 3.565 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ncc1Cl ZINC001238419476 1042589746 /nfs/dbraw/zinc/58/97/46/1042589746.db2.gz KIOQCADOQDHBDM-UHFFFAOYSA-N 2 2 391.968 3.972 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ncc1Cl ZINC001238419476 1042589750 /nfs/dbraw/zinc/58/97/50/1042589750.db2.gz KIOQCADOQDHBDM-UHFFFAOYSA-N 2 2 391.968 3.972 20 0 GHADLP CC(C)Oc1cncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001238465228 1042605622 /nfs/dbraw/zinc/60/56/22/1042605622.db2.gz JBBCREMICCCKIV-OYDLWJJNSA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1cncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001238465228 1042605625 /nfs/dbraw/zinc/60/56/25/1042605625.db2.gz JBBCREMICCCKIV-OYDLWJJNSA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1cncc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001238465228 1042605627 /nfs/dbraw/zinc/60/56/27/1042605627.db2.gz JBBCREMICCCKIV-OYDLWJJNSA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1cncc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001238465228 1042605629 /nfs/dbraw/zinc/60/56/29/1042605629.db2.gz JBBCREMICCCKIV-OYDLWJJNSA-N 2 2 394.563 3.996 20 0 GHADLP COc1ccc(-c2ccncc2)c(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c1 ZINC001238651716 1042670905 /nfs/dbraw/zinc/67/09/05/1042670905.db2.gz MQNWBQXJVAHJRV-UHFFFAOYSA-N 2 2 395.547 3.832 20 0 GHADLP COc1ccc(-c2ccncc2)c(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c1 ZINC001238651716 1042670908 /nfs/dbraw/zinc/67/09/08/1042670908.db2.gz MQNWBQXJVAHJRV-UHFFFAOYSA-N 2 2 395.547 3.832 20 0 GHADLP CC[N@H+](Cc1cc(C)c(I)c(C)c1)C1CC[NH+](C)CC1 ZINC001238730809 1042706085 /nfs/dbraw/zinc/70/60/85/1042706085.db2.gz WPHYOGJEADLPTP-UHFFFAOYSA-N 2 2 386.321 3.824 20 0 GHADLP CC[N@@H+](Cc1cc(C)c(I)c(C)c1)C1CC[NH+](C)CC1 ZINC001238730809 1042706091 /nfs/dbraw/zinc/70/60/91/1042706091.db2.gz WPHYOGJEADLPTP-UHFFFAOYSA-N 2 2 386.321 3.824 20 0 GHADLP NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256608512 1043572840 /nfs/dbraw/zinc/57/28/40/1043572840.db2.gz AANJBMDXNWMBQP-RPWUZVMVSA-N 2 2 391.559 3.775 20 0 GHADLP NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256608512 1043572853 /nfs/dbraw/zinc/57/28/53/1043572853.db2.gz AANJBMDXNWMBQP-RPWUZVMVSA-N 2 2 391.559 3.775 20 0 GHADLP O=C1Nc2ncccc2C2(CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)O1 ZINC001256610241 1043574127 /nfs/dbraw/zinc/57/41/27/1043574127.db2.gz AHOQCMVZCLLZKS-UHFFFAOYSA-N 2 2 392.503 3.599 20 0 GHADLP COc1cccc2c1CC[C@H]([NH2+][C@@H](C[NH3+])c1ccc(Br)cc1)C2 ZINC001256637376 1043586014 /nfs/dbraw/zinc/58/60/14/1043586014.db2.gz UJIYEFILOYQIIQ-WMZOPIPTSA-N 2 2 375.310 3.605 20 0 GHADLP CN(C(=O)OC(C)(C)C)C1CCC(N(c2cccc[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001256673261 1043613906 /nfs/dbraw/zinc/61/39/06/1043613906.db2.gz RCMDLAFZAPUZTB-UHFFFAOYSA-N 2 2 388.556 3.818 20 0 GHADLP C[NH+](C)C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001256856736 1043704707 /nfs/dbraw/zinc/70/47/07/1043704707.db2.gz QYOJBSXFMGUWFN-YIEZCRKJSA-N 3 2 382.596 3.787 20 0 GHADLP Cc1[nH+]cn(C2CCN(c3ncccc3C(F)(F)F)CC2)c1CSCC[NH3+] ZINC001256882045 1043718219 /nfs/dbraw/zinc/71/82/19/1043718219.db2.gz CVHPDICQMOZTHO-UHFFFAOYSA-N 2 2 399.486 3.639 20 0 GHADLP CC(C)[NH+]1CCC([NH+]2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)CC1 ZINC001257216848 1043939955 /nfs/dbraw/zinc/93/99/55/1043939955.db2.gz KUJWVZVFPHHIQN-UHFFFAOYSA-N 2 2 387.612 3.920 20 0 GHADLP O=C(c1ccccc1)N1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258148550 1044439100 /nfs/dbraw/zinc/43/91/00/1044439100.db2.gz NBVLZNBOPJEPDI-UHFFFAOYSA-N 2 2 391.559 3.542 20 0 GHADLP O=C(c1ccccc1)N1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258148550 1044439106 /nfs/dbraw/zinc/43/91/06/1044439106.db2.gz NBVLZNBOPJEPDI-UHFFFAOYSA-N 2 2 391.559 3.542 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](C4C[C@H](C)C[C@@H](C)C4)CC[C@@H]3C2)cs1 ZINC001258169541 1044450496 /nfs/dbraw/zinc/45/04/96/1044450496.db2.gz ASJJWQCFRNNTMA-BZSOYRFXSA-N 2 2 377.598 3.799 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](C4C[C@H](C)C[C@@H](C)C4)CC[C@@H]3C2)cs1 ZINC001258169541 1044450503 /nfs/dbraw/zinc/45/05/03/1044450503.db2.gz ASJJWQCFRNNTMA-BZSOYRFXSA-N 2 2 377.598 3.799 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](C4C[C@H](C)C[C@@H](C)C4)CC[C@@H]3C2)cs1 ZINC001258169541 1044450513 /nfs/dbraw/zinc/45/05/13/1044450513.db2.gz ASJJWQCFRNNTMA-BZSOYRFXSA-N 2 2 377.598 3.799 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](C4C[C@H](C)C[C@@H](C)C4)CC[C@@H]3C2)cs1 ZINC001258169541 1044450520 /nfs/dbraw/zinc/45/05/20/1044450520.db2.gz ASJJWQCFRNNTMA-BZSOYRFXSA-N 2 2 377.598 3.799 20 0 GHADLP C[C@@H](Cc1ccco1)[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001258191487 1044463992 /nfs/dbraw/zinc/46/39/92/1044463992.db2.gz GLCJBGCDDUSWKL-PXNSSMCTSA-N 2 2 375.463 3.839 20 0 GHADLP C[C@@H](Cc1ccco1)[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001258191487 1044463996 /nfs/dbraw/zinc/46/39/96/1044463996.db2.gz GLCJBGCDDUSWKL-PXNSSMCTSA-N 2 2 375.463 3.839 20 0 GHADLP C[C@@H](Cc1ccco1)[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001258191487 1044464000 /nfs/dbraw/zinc/46/40/00/1044464000.db2.gz GLCJBGCDDUSWKL-PXNSSMCTSA-N 2 2 375.463 3.839 20 0 GHADLP C[C@@H](Cc1ccco1)[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001258191487 1044464006 /nfs/dbraw/zinc/46/40/06/1044464006.db2.gz GLCJBGCDDUSWKL-PXNSSMCTSA-N 2 2 375.463 3.839 20 0 GHADLP CCC[C@@H](Cc1ccccc1)[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001258659486 1044699336 /nfs/dbraw/zinc/69/93/36/1044699336.db2.gz QYWZPPCHNWAREM-NRFANRHFSA-N 2 2 381.568 3.534 20 0 GHADLP CCC[C@@H](Cc1ccccc1)[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001258659486 1044699344 /nfs/dbraw/zinc/69/93/44/1044699344.db2.gz QYWZPPCHNWAREM-NRFANRHFSA-N 2 2 381.568 3.534 20 0 GHADLP CCC[NH+]1CCC([NH2+]Cc2cncn2Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001258770887 1044756628 /nfs/dbraw/zinc/75/66/28/1044756628.db2.gz TXWYYAHYVROJLQ-UHFFFAOYSA-N 2 2 380.458 3.914 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)CC1 ZINC001258773113 1044760134 /nfs/dbraw/zinc/76/01/34/1044760134.db2.gz FQBMKESQHGVMLH-UHFFFAOYSA-N 2 2 387.612 3.922 20 0 GHADLP COc1cc(C[C@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc(OC)c1OC ZINC001258877485 1044824904 /nfs/dbraw/zinc/82/49/04/1044824904.db2.gz WLHUNNMXNUJSDI-WMZOPIPTSA-N 2 2 386.492 3.500 20 0 GHADLP COc1cc(C[C@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc(OC)c1OC ZINC001258877485 1044824919 /nfs/dbraw/zinc/82/49/19/1044824919.db2.gz WLHUNNMXNUJSDI-WMZOPIPTSA-N 2 2 386.492 3.500 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC001295136232 1044927764 /nfs/dbraw/zinc/92/77/64/1044927764.db2.gz GAJVTSCOPSRTEI-HSZRJFAPSA-N 2 2 393.531 3.547 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC001295136232 1044927766 /nfs/dbraw/zinc/92/77/66/1044927766.db2.gz GAJVTSCOPSRTEI-HSZRJFAPSA-N 2 2 393.531 3.547 20 0 GHADLP [NH3+]C12C[C@@H]3C[C@H](C1)CC(C(=O)Nc1cccc4c1CN(c1cccc[nH+]1)C4)(C3)C2 ZINC001263120162 1046567495 /nfs/dbraw/zinc/56/74/95/1046567495.db2.gz VXRVOZRUCBRDGO-UPFYTXMWSA-N 2 2 388.515 3.838 20 0 GHADLP Fc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]CCn4cc[nH+]c4)(C2)CCC3)cc1Cl ZINC001279226858 1047744852 /nfs/dbraw/zinc/74/48/52/1047744852.db2.gz HNFSMPKNGNMWCA-UXHICEINSA-N 3 2 376.907 3.900 20 0 GHADLP Cc1cc(C[NH+]2CC3(C2)CC[NH+](Cc2ccc(F)c(Cl)c2)CC3)n(C)n1 ZINC001279226512 1047744997 /nfs/dbraw/zinc/74/49/97/1047744997.db2.gz DHCIIDYCUCDDQP-UHFFFAOYSA-N 2 2 376.907 3.619 20 0 GHADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(F)c3I)(C1)CCC2 ZINC001279340421 1047773475 /nfs/dbraw/zinc/77/34/75/1047773475.db2.gz KNWFVKALSRMSKA-JKSUJKDBSA-N 2 2 388.268 3.585 20 0 GHADLP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1(C[NH+](C)C)CCCC1 ZINC001279493213 1047823863 /nfs/dbraw/zinc/82/38/63/1047823863.db2.gz YWMFQSHJIQKSIZ-YQQQUEKLSA-N 3 2 376.614 3.659 20 0 GHADLP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1(C[NH+](C)C)CCCC1 ZINC001279493213 1047823869 /nfs/dbraw/zinc/82/38/69/1047823869.db2.gz YWMFQSHJIQKSIZ-YQQQUEKLSA-N 3 2 376.614 3.659 20 0 GHADLP Brc1cc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)cs1 ZINC001279505473 1047827882 /nfs/dbraw/zinc/82/78/82/1047827882.db2.gz PDGBZWBVCZVZCZ-UHFFFAOYSA-N 2 2 380.355 3.937 20 0 GHADLP CCCC[C@H](CC)C[NH+]1CC2(C1)CC[NH+](Cc1c(N)ncnc1Cl)CC2 ZINC001279715437 1047931912 /nfs/dbraw/zinc/93/19/12/1047931912.db2.gz XXYARJDPFQVNPT-INIZCTEOSA-N 2 2 379.980 3.826 20 0 GHADLP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001307575974 1049415302 /nfs/dbraw/zinc/41/53/02/1049415302.db2.gz MIHODZDEUJFGQX-RTBURBONSA-N 2 2 377.598 3.587 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC001308032083 1049782764 /nfs/dbraw/zinc/78/27/64/1049782764.db2.gz CAFUXWKABNHZSG-HXUWFJFHSA-N 2 2 384.524 3.861 20 0 GHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCc4ccsc4[C@H]3C)CC2)cc1 ZINC001308046463 1049795335 /nfs/dbraw/zinc/79/53/35/1049795335.db2.gz NFSLSPULMZPZFA-LJQANCHMSA-N 2 2 397.588 3.710 20 0 GHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCc4ccsc4[C@H]3C)CC2)cc1 ZINC001308046463 1049795339 /nfs/dbraw/zinc/79/53/39/1049795339.db2.gz NFSLSPULMZPZFA-LJQANCHMSA-N 2 2 397.588 3.710 20 0 GHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCc4ccsc4[C@H]3C)CC2)cc1 ZINC001308046463 1049795345 /nfs/dbraw/zinc/79/53/45/1049795345.db2.gz NFSLSPULMZPZFA-LJQANCHMSA-N 2 2 397.588 3.710 20 0 GHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCc4ccsc4[C@H]3C)CC2)cc1 ZINC001308046463 1049795351 /nfs/dbraw/zinc/79/53/51/1049795351.db2.gz NFSLSPULMZPZFA-LJQANCHMSA-N 2 2 397.588 3.710 20 0 GHADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001308189437 1049906393 /nfs/dbraw/zinc/90/63/93/1049906393.db2.gz WLFBHAAMUVHJEL-FHWLQOOXSA-N 2 2 379.564 3.897 20 0 GHADLP Cc1nc(N2CCCCC2)sc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC001308198379 1049909763 /nfs/dbraw/zinc/90/97/63/1049909763.db2.gz ZZAGSXCYGDDFFR-UHFFFAOYSA-N 2 2 384.593 3.980 20 0 GHADLP Cc1nc(N2CCCCC2)sc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC001308198379 1049909767 /nfs/dbraw/zinc/90/97/67/1049909767.db2.gz ZZAGSXCYGDDFFR-UHFFFAOYSA-N 2 2 384.593 3.980 20 0 GHADLP Brc1ccccc1CN1CCC([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC001308219452 1049916760 /nfs/dbraw/zinc/91/67/60/1049916760.db2.gz BXVXFZBASFSAHJ-UHFFFAOYSA-N 2 2 391.357 3.680 20 0 GHADLP Cc1oc2ccccc2c1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001308363690 1049959113 /nfs/dbraw/zinc/95/91/13/1049959113.db2.gz VQSGGUDBSCHBDH-UHFFFAOYSA-N 2 2 380.488 3.742 20 0 GHADLP Fc1ccccc1C1([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCC1 ZINC001308447508 1049978253 /nfs/dbraw/zinc/97/82/53/1049978253.db2.gz QJAZVWSIJFZQDE-UHFFFAOYSA-N 2 2 384.495 3.706 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)CC(F)F ZINC001308467360 1049983050 /nfs/dbraw/zinc/98/30/50/1049983050.db2.gz ZZAVIHDNXXJYJA-GOEBONIOSA-N 2 2 375.504 3.532 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)CC(F)F ZINC001308467360 1049983054 /nfs/dbraw/zinc/98/30/54/1049983054.db2.gz ZZAVIHDNXXJYJA-GOEBONIOSA-N 2 2 375.504 3.532 20 0 GHADLP COc1ccc2c(c1)[nH+]c(NCc1c[nH+]c(N(C)C)n1C)n2Cc1ccccc1 ZINC001308506434 1049993349 /nfs/dbraw/zinc/99/33/49/1049993349.db2.gz QTILUOOVJLLDDI-UHFFFAOYSA-N 2 2 390.491 3.505 20 0 GHADLP Cn1c2ccc(F)cc2[nH+]c1NCc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001308553179 1050007086 /nfs/dbraw/zinc/00/70/86/1050007086.db2.gz IGSLNCUFEPCJPQ-UHFFFAOYSA-N 2 2 392.381 3.708 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c2c1OC(F)(F)O2 ZINC001308593156 1050023427 /nfs/dbraw/zinc/02/34/27/1050023427.db2.gz FGSAOYCQZRNXMW-HOTGVXAUSA-N 2 2 384.492 3.930 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c2c1OC(F)(F)O2 ZINC001308593156 1050023432 /nfs/dbraw/zinc/02/34/32/1050023432.db2.gz FGSAOYCQZRNXMW-HOTGVXAUSA-N 2 2 384.492 3.930 20 0 GHADLP COc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)cc1 ZINC001308651683 1050047732 /nfs/dbraw/zinc/04/77/32/1050047732.db2.gz BDCQPCUMCVBJJV-UHFFFAOYSA-N 2 2 378.419 3.710 20 0 GHADLP COc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)cc1 ZINC001308651683 1050047740 /nfs/dbraw/zinc/04/77/40/1050047740.db2.gz BDCQPCUMCVBJJV-UHFFFAOYSA-N 2 2 378.419 3.710 20 0 GHADLP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3ccsc3Br)c2)CC1 ZINC001329388405 1050791212 /nfs/dbraw/zinc/79/12/12/1050791212.db2.gz BMIZTBLXUADVFM-UHFFFAOYSA-N 2 2 394.382 3.548 20 0 GHADLP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(Br)cc1F ZINC001329965915 1050931403 /nfs/dbraw/zinc/93/14/03/1050931403.db2.gz KRYADSZOZXCDKO-RBUKOAKNSA-N 2 2 399.348 3.754 20 0 GHADLP Cc1c(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)ccc2c[nH+]cn21 ZINC001330101883 1050956880 /nfs/dbraw/zinc/95/68/80/1050956880.db2.gz AWWDMQCMJUWZQL-FOIQADDNSA-N 2 2 389.459 3.655 20 0 GHADLP Cc1c(-c2nc([C@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)ccc2c[nH+]cn21 ZINC001330101883 1050956882 /nfs/dbraw/zinc/95/68/82/1050956882.db2.gz AWWDMQCMJUWZQL-FOIQADDNSA-N 2 2 389.459 3.655 20 0 GHADLP Cc1ccc(NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c(N(C)C)[nH+]1 ZINC001310462963 1051373512 /nfs/dbraw/zinc/37/35/12/1051373512.db2.gz IKTKCWMKVAYCFM-UHFFFAOYSA-N 2 2 375.561 3.820 20 0 GHADLP CC[C@H](CNC(=O)Nc1cc(C)c2[nH+]ccn2c1)[N@@H+]1CCc2ccccc2C1 ZINC001310807536 1051608142 /nfs/dbraw/zinc/60/81/42/1051608142.db2.gz XNBPWXQOMRNAHW-HXUWFJFHSA-N 2 2 377.492 3.601 20 0 GHADLP CC[C@H](CNC(=O)Nc1cc(C)c2[nH+]ccn2c1)[N@H+]1CCc2ccccc2C1 ZINC001310807536 1051608150 /nfs/dbraw/zinc/60/81/50/1051608150.db2.gz XNBPWXQOMRNAHW-HXUWFJFHSA-N 2 2 377.492 3.601 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2Br)[nH+]1 ZINC001335414051 1052094730 /nfs/dbraw/zinc/09/47/30/1052094730.db2.gz VGGINUVZHANKGG-MAUKXSAKSA-N 2 2 390.325 3.762 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@@H](O)c2ccccc2Br)[nH+]1 ZINC001335414051 1052094740 /nfs/dbraw/zinc/09/47/40/1052094740.db2.gz VGGINUVZHANKGG-MAUKXSAKSA-N 2 2 390.325 3.762 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)c1ccccc1 ZINC001311421862 1052126634 /nfs/dbraw/zinc/12/66/34/1052126634.db2.gz YVPRTSYINFAEGJ-WOJBJXKFSA-N 2 2 397.567 3.830 20 0 GHADLP CC[NH+](CC)CC[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC001313416326 1053048299 /nfs/dbraw/zinc/04/82/99/1053048299.db2.gz RFSZAOVQOUFUMD-ILWGZMRPSA-N 2 2 397.567 3.949 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC001318417792 1054624987 /nfs/dbraw/zinc/62/49/87/1054624987.db2.gz RLCXTQHRYWOCFX-OAQYLSRUSA-N 2 2 380.536 3.753 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC001318417792 1054624999 /nfs/dbraw/zinc/62/49/99/1054624999.db2.gz RLCXTQHRYWOCFX-OAQYLSRUSA-N 2 2 380.536 3.753 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(OCc2ccccc2)ccn1 ZINC001318796877 1054878559 /nfs/dbraw/zinc/87/85/59/1054878559.db2.gz HDJGBIQCBCEOQA-UHFFFAOYSA-N 2 2 385.427 3.802 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)N(C)[C@H](C)c2ccc(F)cc2)[nH+]1 ZINC001319489116 1055285658 /nfs/dbraw/zinc/28/56/58/1055285658.db2.gz GWNUWFIILOKKSN-XLIONFOSSA-N 2 2 384.499 3.625 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)N(C)[C@H](C)c2ccc(F)cc2)[nH+]1 ZINC001319489116 1055285671 /nfs/dbraw/zinc/28/56/71/1055285671.db2.gz GWNUWFIILOKKSN-XLIONFOSSA-N 2 2 384.499 3.625 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(F)ccc1Br ZINC001322848460 1056866490 /nfs/dbraw/zinc/86/64/90/1056866490.db2.gz ZIIIGLCCWHKXQW-UHFFFAOYSA-N 2 2 375.201 3.730 20 0 GHADLP [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000849090552 1057590337 /nfs/dbraw/zinc/59/03/37/1057590337.db2.gz CMMOFRQOOFSVSD-UHFFFAOYSA-N 2 2 389.381 3.585 20 0 GHADLP C[C@@H](C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001448620207 1060230676 /nfs/dbraw/zinc/23/06/76/1060230676.db2.gz LDOLFCUNHITNLO-KSZLIROESA-N 2 2 388.943 3.827 20 0 GHADLP C[C@@H](C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001448620207 1060230700 /nfs/dbraw/zinc/23/07/00/1060230700.db2.gz LDOLFCUNHITNLO-KSZLIROESA-N 2 2 388.943 3.827 20 0 GHADLP CC(C)[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001453503824 1061145923 /nfs/dbraw/zinc/14/59/23/1061145923.db2.gz ZXTUPNNAYIEYBG-QHCPKHFHSA-N 2 2 388.515 3.855 20 0 GHADLP CC(C)[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001453503824 1061145927 /nfs/dbraw/zinc/14/59/27/1061145927.db2.gz ZXTUPNNAYIEYBG-QHCPKHFHSA-N 2 2 388.515 3.855 20 0 GHADLP Cc1c(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)ccc2c[nH+]cn21 ZINC001347280263 1062266456 /nfs/dbraw/zinc/26/64/56/1062266456.db2.gz AWWDMQCMJUWZQL-QRWLVFNGSA-N 2 2 389.459 3.655 20 0 GHADLP Cc1c(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)ccc2c[nH+]cn21 ZINC001347280263 1062266472 /nfs/dbraw/zinc/26/64/72/1062266472.db2.gz AWWDMQCMJUWZQL-QRWLVFNGSA-N 2 2 389.459 3.655 20 0 GHADLP Cn1cc[nH+]c1CCC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001348695073 1063284164 /nfs/dbraw/zinc/28/41/64/1063284164.db2.gz CYSOWQGWSWAAMJ-HSZRJFAPSA-N 2 2 394.563 3.502 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC001457769682 1063353180 /nfs/dbraw/zinc/35/31/80/1063353180.db2.gz NUGSZSWRVKPUKZ-QMMLZNLJSA-N 2 2 383.561 3.646 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC001457769682 1063353203 /nfs/dbraw/zinc/35/32/03/1063353203.db2.gz NUGSZSWRVKPUKZ-QMMLZNLJSA-N 2 2 383.561 3.646 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001459304982 1064053686 /nfs/dbraw/zinc/05/36/86/1064053686.db2.gz YUOQLWZUXMMVMS-CTNGQTDRSA-N 2 2 397.588 3.866 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001459304982 1064053694 /nfs/dbraw/zinc/05/36/94/1064053694.db2.gz YUOQLWZUXMMVMS-CTNGQTDRSA-N 2 2 397.588 3.866 20 0 GHADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC001459521028 1064119251 /nfs/dbraw/zinc/11/92/51/1064119251.db2.gz PSIIVNMMFYIESR-GOSISDBHSA-N 2 2 387.351 3.539 20 0 GHADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC001459521028 1064119256 /nfs/dbraw/zinc/11/92/56/1064119256.db2.gz PSIIVNMMFYIESR-GOSISDBHSA-N 2 2 387.351 3.539 20 0 GHADLP CCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC001459749337 1064199999 /nfs/dbraw/zinc/19/99/99/1064199999.db2.gz UOOZMPDTYWNVIJ-HXUWFJFHSA-N 2 2 395.547 3.758 20 0 GHADLP CCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC001459749337 1064200003 /nfs/dbraw/zinc/20/00/03/1064200003.db2.gz UOOZMPDTYWNVIJ-HXUWFJFHSA-N 2 2 395.547 3.758 20 0 GHADLP CC[C@@H](C[N@H+](CC)CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC001459991299 1064326779 /nfs/dbraw/zinc/32/67/79/1064326779.db2.gz NFYMTHDVTHBIKJ-NRFANRHFSA-N 2 2 399.604 3.908 20 0 GHADLP CC[C@@H](C[N@@H+](CC)CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC001459991299 1064326799 /nfs/dbraw/zinc/32/67/99/1064326799.db2.gz NFYMTHDVTHBIKJ-NRFANRHFSA-N 2 2 399.604 3.908 20 0 GHADLP C[C@@H](C[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21)Cn1cc[nH+]c1 ZINC001200116448 1065264415 /nfs/dbraw/zinc/26/44/15/1065264415.db2.gz WKKRQKLYLNGELC-HNNXBMFYSA-N 2 2 381.430 3.902 20 0 GHADLP O=C(c1cc2c[nH+]ccc2[nH]1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001464914854 1065271825 /nfs/dbraw/zinc/27/18/25/1065271825.db2.gz MSWARJZIVADUKM-UHFFFAOYSA-N 2 2 382.895 3.955 20 0 GHADLP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001465535909 1065696576 /nfs/dbraw/zinc/69/65/76/1065696576.db2.gz BDJSBFDYMHDTPM-NHCUHLMSSA-N 2 2 389.971 3.685 20 0 GHADLP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001465535909 1065696580 /nfs/dbraw/zinc/69/65/80/1065696580.db2.gz BDJSBFDYMHDTPM-NHCUHLMSSA-N 2 2 389.971 3.685 20 0 GHADLP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001465535909 1065696588 /nfs/dbraw/zinc/69/65/88/1065696588.db2.gz BDJSBFDYMHDTPM-NHCUHLMSSA-N 2 2 389.971 3.685 20 0 GHADLP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001465535909 1065696594 /nfs/dbraw/zinc/69/65/94/1065696594.db2.gz BDJSBFDYMHDTPM-NHCUHLMSSA-N 2 2 389.971 3.685 20 0 GHADLP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001465535911 1065697023 /nfs/dbraw/zinc/69/70/23/1065697023.db2.gz BDJSBFDYMHDTPM-SFTDATJTSA-N 2 2 389.971 3.685 20 0 GHADLP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001465535911 1065697038 /nfs/dbraw/zinc/69/70/38/1065697038.db2.gz BDJSBFDYMHDTPM-SFTDATJTSA-N 2 2 389.971 3.685 20 0 GHADLP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001465535911 1065697046 /nfs/dbraw/zinc/69/70/46/1065697046.db2.gz BDJSBFDYMHDTPM-SFTDATJTSA-N 2 2 389.971 3.685 20 0 GHADLP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001465535911 1065697050 /nfs/dbraw/zinc/69/70/50/1065697050.db2.gz BDJSBFDYMHDTPM-SFTDATJTSA-N 2 2 389.971 3.685 20 0 GHADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001300229511 1065770565 /nfs/dbraw/zinc/77/05/65/1065770565.db2.gz UGSWLZMJVYLVQL-VAMGGRTRSA-N 2 2 388.515 3.996 20 0 GHADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001300229511 1065770577 /nfs/dbraw/zinc/77/05/77/1065770577.db2.gz UGSWLZMJVYLVQL-VAMGGRTRSA-N 2 2 388.515 3.996 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001466098313 1065982748 /nfs/dbraw/zinc/98/27/48/1065982748.db2.gz CJJICNDDWNEFAS-AQNXPRMDSA-N 2 2 389.902 3.643 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001466098313 1065982753 /nfs/dbraw/zinc/98/27/53/1065982753.db2.gz CJJICNDDWNEFAS-AQNXPRMDSA-N 2 2 389.902 3.643 20 0 GHADLP Cc1cc(Br)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC001200365287 1065992912 /nfs/dbraw/zinc/99/29/12/1065992912.db2.gz IFBCBHOXDUPYAB-LBPRGKRZSA-N 2 2 390.163 3.951 20 0 GHADLP Cc1cc(Br)c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC001200365287 1065992916 /nfs/dbraw/zinc/99/29/16/1065992916.db2.gz IFBCBHOXDUPYAB-LBPRGKRZSA-N 2 2 390.163 3.951 20 0 GHADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001466665454 1066242904 /nfs/dbraw/zinc/24/29/04/1066242904.db2.gz DBCJRPIKIGHHJT-ZACQAIPSSA-N 2 2 383.540 3.789 20 0 GHADLP CCN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001466678411 1066252757 /nfs/dbraw/zinc/25/27/57/1066252757.db2.gz GPFWJEGPVYPMTA-HSZRJFAPSA-N 2 2 388.515 3.538 20 0 GHADLP CCN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001466678411 1066252767 /nfs/dbraw/zinc/25/27/67/1066252767.db2.gz GPFWJEGPVYPMTA-HSZRJFAPSA-N 2 2 388.515 3.538 20 0 GHADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc2c(c1)OCC[NH2+]C2 ZINC001357366651 1067066869 /nfs/dbraw/zinc/06/68/69/1067066869.db2.gz HORSEBAJVUHIEK-UHFFFAOYSA-N 2 2 388.471 3.621 20 0 GHADLP CCCC[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C(=O)Nc1cc(C)on1 ZINC000495652463 1067556686 /nfs/dbraw/zinc/55/66/86/1067556686.db2.gz BWTUKFYIKHMJSV-FQEVSTJZSA-N 2 2 384.524 3.518 20 0 GHADLP CCCC[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C(=O)Nc1cc(C)on1 ZINC000495652463 1067556691 /nfs/dbraw/zinc/55/66/91/1067556691.db2.gz BWTUKFYIKHMJSV-FQEVSTJZSA-N 2 2 384.524 3.518 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC001470006906 1068517592 /nfs/dbraw/zinc/51/75/92/1068517592.db2.gz NRVYULZNJBHZIU-UHFFFAOYSA-N 2 2 389.927 3.746 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC001470006906 1068517609 /nfs/dbraw/zinc/51/76/09/1068517609.db2.gz NRVYULZNJBHZIU-UHFFFAOYSA-N 2 2 389.927 3.746 20 0 GHADLP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1(C)C ZINC001460128823 1068797943 /nfs/dbraw/zinc/79/79/43/1068797943.db2.gz SCTBJNVGBRQEJO-PWIZWCRZSA-N 2 2 379.976 3.501 20 0 GHADLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC001460625257 1069038605 /nfs/dbraw/zinc/03/86/05/1069038605.db2.gz FPVTXXBOVGDDAA-UPVQGACJSA-N 2 2 383.580 3.840 20 0 GHADLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC001460625257 1069038613 /nfs/dbraw/zinc/03/86/13/1069038613.db2.gz FPVTXXBOVGDDAA-UPVQGACJSA-N 2 2 383.580 3.840 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC001460971621 1069305514 /nfs/dbraw/zinc/30/55/14/1069305514.db2.gz IPHLERTZGBOVOC-INIZCTEOSA-N 2 2 379.508 3.709 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC001460971621 1069305533 /nfs/dbraw/zinc/30/55/33/1069305533.db2.gz IPHLERTZGBOVOC-INIZCTEOSA-N 2 2 379.508 3.709 20 0 GHADLP O=C(NCCn1c[nH+]cc1-c1ccccc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC001470713050 1072698610 /nfs/dbraw/zinc/69/86/10/1072698610.db2.gz XCGNVJQYJNPVKW-UHFFFAOYSA-N 2 2 388.515 3.966 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCCCc3ccc(Cl)cc3)c2)CC1 ZINC001471048095 1072903783 /nfs/dbraw/zinc/90/37/83/1072903783.db2.gz HQJKASKGUSXNSV-UHFFFAOYSA-N 2 2 386.927 3.838 20 0 GHADLP CC[NH+](CC)CC[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC001471586532 1073148024 /nfs/dbraw/zinc/14/80/24/1073148024.db2.gz IOXUTGZPRTVZHI-FGZHOGPDSA-N 2 2 396.535 3.718 20 0 GHADLP Cc1[nH]c([C@H]2CCCN2C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)[nH+]c1C ZINC001471860023 1073235246 /nfs/dbraw/zinc/23/52/46/1073235246.db2.gz IIDNGKSCNIFRFJ-LEWJYISDSA-N 2 2 380.536 3.645 20 0 GHADLP Cc1[nH]c([C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)[nH+]c1C ZINC001471860023 1073235249 /nfs/dbraw/zinc/23/52/49/1073235249.db2.gz IIDNGKSCNIFRFJ-LEWJYISDSA-N 2 2 380.536 3.645 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC(Oc4ccccc4)CC3)C2)cc1 ZINC001473119155 1073789109 /nfs/dbraw/zinc/78/91/09/1073789109.db2.gz DXAJQKOWRXZMJV-XMMPIXPASA-N 2 2 380.532 3.821 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC(Oc4ccccc4)CC3)C2)cc1 ZINC001473119155 1073789115 /nfs/dbraw/zinc/78/91/15/1073789115.db2.gz DXAJQKOWRXZMJV-XMMPIXPASA-N 2 2 380.532 3.821 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC001473550991 1074012774 /nfs/dbraw/zinc/01/27/74/1074012774.db2.gz ATJBGKABSQPRFV-RPWUZVMVSA-N 2 2 396.575 3.753 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC001473550991 1074012783 /nfs/dbraw/zinc/01/27/83/1074012783.db2.gz ATJBGKABSQPRFV-RPWUZVMVSA-N 2 2 396.575 3.753 20 0 GHADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2Br)C1 ZINC001473939787 1074212274 /nfs/dbraw/zinc/21/22/74/1074212274.db2.gz YXFZLDUCIJNPIJ-LLVKDONJSA-N 2 2 376.136 3.643 20 0 GHADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2Br)C1 ZINC001473939787 1074212279 /nfs/dbraw/zinc/21/22/79/1074212279.db2.gz YXFZLDUCIJNPIJ-LLVKDONJSA-N 2 2 376.136 3.643 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc12 ZINC001474033585 1074242620 /nfs/dbraw/zinc/24/26/20/1074242620.db2.gz SITAYHGJXPWCNX-UHFFFAOYSA-N 2 2 375.948 3.817 20 0 GHADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000737500645 598368237 /nfs/dbraw/zinc/36/82/37/598368237.db2.gz QSSHUVXZRDEGHQ-FQEVSTJZSA-N 2 2 399.502 3.876 20 0 GHADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000737500645 598368239 /nfs/dbraw/zinc/36/82/39/598368239.db2.gz QSSHUVXZRDEGHQ-FQEVSTJZSA-N 2 2 399.502 3.876 20 0 GHADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H](C)[N@@H+](C)C[C@H]3C)c2c1C ZINC001164637615 719236886 /nfs/dbraw/zinc/23/68/86/719236886.db2.gz WPBPXIHQDBIQKP-HUUCEWRRSA-N 2 2 387.597 3.823 20 0 GHADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H](C)[N@H+](C)C[C@H]3C)c2c1C ZINC001164637615 719236887 /nfs/dbraw/zinc/23/68/87/719236887.db2.gz WPBPXIHQDBIQKP-HUUCEWRRSA-N 2 2 387.597 3.823 20 0 GHADLP COc1ccc2c[nH+]c(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)cc2c1 ZINC001164651040 719313429 /nfs/dbraw/zinc/31/34/29/719313429.db2.gz HBCONFPALHZGJF-UHFFFAOYSA-N 2 2 379.508 3.645 20 0 GHADLP CCCN(CCC)c1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc[nH+]1 ZINC001164858134 720984780 /nfs/dbraw/zinc/98/47/80/720984780.db2.gz HSFUGFSIKLMRFV-GOSISDBHSA-N 2 2 399.587 3.721 20 0 GHADLP CCCN(CCC)c1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc[nH+]1 ZINC001164858134 720984800 /nfs/dbraw/zinc/98/48/00/720984800.db2.gz HSFUGFSIKLMRFV-GOSISDBHSA-N 2 2 399.587 3.721 20 0 GHADLP Cc1nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001164773815 721185860 /nfs/dbraw/zinc/18/58/60/721185860.db2.gz XEYCLYDTIGUTJE-NHCUHLMSSA-N 2 2 394.567 3.525 20 0 GHADLP Cc1nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001164773815 721185875 /nfs/dbraw/zinc/18/58/75/721185875.db2.gz XEYCLYDTIGUTJE-NHCUHLMSSA-N 2 2 394.567 3.525 20 0 GHADLP Cc1ccc2c(C)cc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)[nH+]c2c1C ZINC001164769251 721208136 /nfs/dbraw/zinc/20/81/36/721208136.db2.gz LVZFTANZRWMUSV-RTWAWAEBSA-N 2 2 389.547 3.852 20 0 GHADLP Cc1ccc2c(C)cc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)[nH+]c2c1C ZINC001164769251 721208138 /nfs/dbraw/zinc/20/81/38/721208138.db2.gz LVZFTANZRWMUSV-RTWAWAEBSA-N 2 2 389.547 3.852 20 0 GHADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(C3CC3)[nH+]1)CC2 ZINC001164788820 721471454 /nfs/dbraw/zinc/47/14/54/721471454.db2.gz LJRSFZJGLQWUOD-OAQYLSRUSA-N 2 2 399.579 3.693 20 0 GHADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(C3CC3)[nH+]1)CC2 ZINC001164788820 721471456 /nfs/dbraw/zinc/47/14/56/721471456.db2.gz LJRSFZJGLQWUOD-OAQYLSRUSA-N 2 2 399.579 3.693 20 0 GHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972518 722120189 /nfs/dbraw/zinc/12/01/89/722120189.db2.gz FTHLYEDZTVQHLL-OFNKIYASSA-N 2 2 388.515 3.666 20 0 GHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972518 722120193 /nfs/dbraw/zinc/12/01/93/722120193.db2.gz FTHLYEDZTVQHLL-OFNKIYASSA-N 2 2 388.515 3.666 20 0 GHADLP Cc1cc(N2CCCC2)nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)[nH+]1 ZINC001164988828 722190577 /nfs/dbraw/zinc/19/05/77/722190577.db2.gz JJWIRNYUGGAZLL-HSZRJFAPSA-N 2 2 395.526 3.769 20 0 GHADLP Cc1cc(N2CCCC2)nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)[nH+]1 ZINC001164988828 722190581 /nfs/dbraw/zinc/19/05/81/722190581.db2.gz JJWIRNYUGGAZLL-HSZRJFAPSA-N 2 2 395.526 3.769 20 0 GHADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000431787101 837497000 /nfs/dbraw/zinc/49/70/00/837497000.db2.gz GFPPUCBEMJRHTM-PMACEKPBSA-N 2 2 383.540 3.572 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)nn1C ZINC000414389137 837591211 /nfs/dbraw/zinc/59/12/11/837591211.db2.gz FFUOHDLQMRPQQO-LPHOPBHVSA-N 2 2 380.458 3.920 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)nn1C ZINC000414389137 837591217 /nfs/dbraw/zinc/59/12/17/837591217.db2.gz FFUOHDLQMRPQQO-LPHOPBHVSA-N 2 2 380.458 3.920 20 0 GHADLP COc1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccc(C)cc2)cc1 ZINC000655703843 837693388 /nfs/dbraw/zinc/69/33/88/837693388.db2.gz WNKKDNUFKFVAMO-UPVQGACJSA-N 2 2 380.532 3.936 20 0 GHADLP c1ccc(COC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000655716597 837721970 /nfs/dbraw/zinc/72/19/70/837721970.db2.gz YUJAUMSQABSJKL-ZEQRLZLVSA-N 2 2 380.532 3.787 20 0 GHADLP COc1cccc(Oc2ncccc2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655716087 837724416 /nfs/dbraw/zinc/72/44/16/837724416.db2.gz ROVIONKCWNXHQR-QFIPXVFZSA-N 2 2 397.519 3.616 20 0 GHADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H]1CCOC1 ZINC000151886655 834546193 /nfs/dbraw/zinc/54/61/93/834546193.db2.gz KQXZURZHPRFIIO-FXAWDEMLSA-N 2 2 399.501 3.622 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)ccc2[nH+]1 ZINC000530949369 837806358 /nfs/dbraw/zinc/80/63/58/837806358.db2.gz GTAVHILISVNJLP-HKUYNNGSSA-N 2 2 377.492 3.817 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)ccc2[nH+]1 ZINC000530949369 837806366 /nfs/dbraw/zinc/80/63/66/837806366.db2.gz GTAVHILISVNJLP-HKUYNNGSSA-N 2 2 377.492 3.817 20 0 GHADLP CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000685469986 835034082 /nfs/dbraw/zinc/03/40/82/835034082.db2.gz CJWTXRRAOPVROO-XJKSGUPXSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000685469986 835034089 /nfs/dbraw/zinc/03/40/89/835034089.db2.gz CJWTXRRAOPVROO-XJKSGUPXSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000685469986 835034099 /nfs/dbraw/zinc/03/40/99/835034099.db2.gz CJWTXRRAOPVROO-XJKSGUPXSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000685469986 835034109 /nfs/dbraw/zinc/03/41/09/835034109.db2.gz CJWTXRRAOPVROO-XJKSGUPXSA-N 2 2 385.346 3.628 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCCn1cc[nH+]c1 ZINC000151145498 835048435 /nfs/dbraw/zinc/04/84/35/835048435.db2.gz RXLXGERJLPYFQJ-GFCCVEGCSA-N 2 2 388.821 3.952 20 0 GHADLP CN(C(=O)Nc1ccc(Cl)cn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246934784 835138684 /nfs/dbraw/zinc/13/86/84/835138684.db2.gz SBZXBSPEMUVOGH-QZTJIDSGSA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1ccc(Cl)cn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246934784 835138687 /nfs/dbraw/zinc/13/86/87/835138687.db2.gz SBZXBSPEMUVOGH-QZTJIDSGSA-N 2 2 393.963 3.536 20 0 GHADLP C[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000151172546 835139326 /nfs/dbraw/zinc/13/93/26/835139326.db2.gz KBIISUWUCKLCPQ-LJQANCHMSA-N 2 2 393.453 3.977 20 0 GHADLP C[N@H+](Cc1ccc(OCC(F)(F)F)nc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000151172546 835139330 /nfs/dbraw/zinc/13/93/30/835139330.db2.gz KBIISUWUCKLCPQ-LJQANCHMSA-N 2 2 393.453 3.977 20 0 GHADLP C[NH+](Cc1ccc(OCC(F)(F)F)nc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000151172546 835139335 /nfs/dbraw/zinc/13/93/35/835139335.db2.gz KBIISUWUCKLCPQ-LJQANCHMSA-N 2 2 393.453 3.977 20 0 GHADLP C[NH+](Cc1ccc(OCC(F)(F)F)nc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000151172546 835139337 /nfs/dbraw/zinc/13/93/37/835139337.db2.gz KBIISUWUCKLCPQ-LJQANCHMSA-N 2 2 393.453 3.977 20 0 GHADLP O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000145703553 835292146 /nfs/dbraw/zinc/29/21/46/835292146.db2.gz HGKCYSRFQLQBPY-UHFFFAOYSA-N 2 2 394.544 3.635 20 0 GHADLP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000658025846 835376228 /nfs/dbraw/zinc/37/62/28/835376228.db2.gz NBAVLLXOKHOAAL-ZFWWWQNUSA-N 2 2 378.866 3.726 20 0 GHADLP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000658025846 835376237 /nfs/dbraw/zinc/37/62/37/835376237.db2.gz NBAVLLXOKHOAAL-ZFWWWQNUSA-N 2 2 378.866 3.726 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658053952 835396574 /nfs/dbraw/zinc/39/65/74/835396574.db2.gz CDGQEGYZCAEIKN-CZUORRHYSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658053952 835396579 /nfs/dbraw/zinc/39/65/79/835396579.db2.gz CDGQEGYZCAEIKN-CZUORRHYSA-N 2 2 382.346 3.629 20 0 GHADLP FC(F)(F)CCC(CCC(F)(F)F)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658255210 835538187 /nfs/dbraw/zinc/53/81/87/835538187.db2.gz STUJQFDFOYJLLX-CQSZACIVSA-N 2 2 376.385 3.883 20 0 GHADLP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCCO2 ZINC000658296013 835560018 /nfs/dbraw/zinc/56/00/18/835560018.db2.gz XHCKUZYZJHDPNE-WMZOPIPTSA-N 2 2 395.341 3.506 20 0 GHADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001206806686 835910117 /nfs/dbraw/zinc/91/01/17/835910117.db2.gz HEUVTTJPBOVKBV-CMPLNLGQSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001206806686 835910119 /nfs/dbraw/zinc/91/01/19/835910119.db2.gz HEUVTTJPBOVKBV-CMPLNLGQSA-N 2 2 381.236 3.907 20 0 GHADLP [NH3+]Cc1cc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc(C(F)(F)F)c1 ZINC000584399009 835983274 /nfs/dbraw/zinc/98/32/74/835983274.db2.gz ICLSHUKJWYLJLY-UHFFFAOYSA-N 2 2 398.454 3.575 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150779947 835996268 /nfs/dbraw/zinc/99/62/68/835996268.db2.gz AUOMPVUJZQLXPY-NHCUHLMSSA-N 2 2 391.559 3.698 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150779947 835996272 /nfs/dbraw/zinc/99/62/72/835996272.db2.gz AUOMPVUJZQLXPY-NHCUHLMSSA-N 2 2 391.559 3.698 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC[S@@](=O)c2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000471226258 836019391 /nfs/dbraw/zinc/01/93/91/836019391.db2.gz JWKXPGCPTRDSCM-PPWXJAPKSA-N 2 2 377.381 3.763 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC[S@@](=O)c2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000471226258 836019404 /nfs/dbraw/zinc/01/94/04/836019404.db2.gz JWKXPGCPTRDSCM-PPWXJAPKSA-N 2 2 377.381 3.763 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC[S@@](=O)c2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000471226258 836019415 /nfs/dbraw/zinc/01/94/15/836019415.db2.gz JWKXPGCPTRDSCM-PPWXJAPKSA-N 2 2 377.381 3.763 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC[S@@](=O)c2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000471226258 836019423 /nfs/dbraw/zinc/01/94/23/836019423.db2.gz JWKXPGCPTRDSCM-PPWXJAPKSA-N 2 2 377.381 3.763 20 0 GHADLP Cc1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc(OC(F)(F)F)c1 ZINC001143462856 836045116 /nfs/dbraw/zinc/04/51/16/836045116.db2.gz CEBOZZSSZHIXRS-RTBURBONSA-N 2 2 391.437 3.852 20 0 GHADLP C[C@@H](C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000180463651 836175253 /nfs/dbraw/zinc/17/52/53/836175253.db2.gz LTUHVWZKFPGHNP-HRAATJIYSA-N 2 2 375.919 3.794 20 0 GHADLP C[C@H](NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc(F)cc1 ZINC000548931958 836265238 /nfs/dbraw/zinc/26/52/38/836265238.db2.gz JMAPWJAJLNTHLV-AVRDEDQJSA-N 2 2 397.538 3.893 20 0 GHADLP C[C@H](NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc(F)cc1 ZINC000548931958 836265248 /nfs/dbraw/zinc/26/52/48/836265248.db2.gz JMAPWJAJLNTHLV-AVRDEDQJSA-N 2 2 397.538 3.893 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000548932089 836271776 /nfs/dbraw/zinc/27/17/76/836271776.db2.gz PQMSTTYFRYBNJG-FQEVSTJZSA-N 2 2 387.474 3.794 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000548932089 836271788 /nfs/dbraw/zinc/27/17/88/836271788.db2.gz PQMSTTYFRYBNJG-FQEVSTJZSA-N 2 2 387.474 3.794 20 0 GHADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(Oc4ccccc4)o3)ccn2)CC1 ZINC000180796019 836275775 /nfs/dbraw/zinc/27/57/75/836275775.db2.gz YWRODVACYSZLBV-UHFFFAOYSA-N 2 2 378.476 3.509 20 0 GHADLP C[C@H]1C[C@H]([NH2+]CC(=O)N2CCCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000513057247 844189575 /nfs/dbraw/zinc/18/95/75/844189575.db2.gz LDMAPGHIGKMMOG-SIKLNZKXSA-N 2 2 377.532 3.609 20 0 GHADLP C[C@H]1C[C@H]([NH2+]CC(=O)N2CCCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000513057247 844189579 /nfs/dbraw/zinc/18/95/79/844189579.db2.gz LDMAPGHIGKMMOG-SIKLNZKXSA-N 2 2 377.532 3.609 20 0 GHADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000376087412 836828776 /nfs/dbraw/zinc/82/87/76/836828776.db2.gz YAZPGEMISLHDAD-UYAOXDASSA-N 2 2 381.568 3.771 20 0 GHADLP CCN(CCC[NH+](C)C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000468458425 836829921 /nfs/dbraw/zinc/82/99/21/836829921.db2.gz LXOMZFYNWKAFJM-GOSISDBHSA-N 2 2 398.954 3.599 20 0 GHADLP Cc1nc(CC[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cs1 ZINC000510947509 844242545 /nfs/dbraw/zinc/24/25/45/844242545.db2.gz FAVLCNYYRRLPEU-UHFFFAOYSA-N 2 2 395.326 3.748 20 0 GHADLP Cc1nc(CC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cs1 ZINC000510947509 844242555 /nfs/dbraw/zinc/24/25/55/844242555.db2.gz FAVLCNYYRRLPEU-UHFFFAOYSA-N 2 2 395.326 3.748 20 0 GHADLP Cc1cc(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(C)n1Cc1ccco1 ZINC000176327529 837284429 /nfs/dbraw/zinc/28/44/29/837284429.db2.gz KHBDHIZVBGUPHF-UHFFFAOYSA-N 2 2 383.536 3.737 20 0 GHADLP CCO[C@H](C)c1nc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cs1 ZINC000177490658 837989025 /nfs/dbraw/zinc/98/90/25/837989025.db2.gz WUVSKTMQMRSAAR-KZNAEPCWSA-N 2 2 395.613 3.952 20 0 GHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cccc(C[NH2+]C)c2)[C@H](C)C1 ZINC000415930615 838288047 /nfs/dbraw/zinc/28/80/47/838288047.db2.gz KFHWIXJJWCSHCX-GOSISDBHSA-N 2 2 396.535 3.543 20 0 GHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cccc(C[NH2+]C)c2)[C@H](C)C1 ZINC000415930615 838288057 /nfs/dbraw/zinc/28/80/57/838288057.db2.gz KFHWIXJJWCSHCX-GOSISDBHSA-N 2 2 396.535 3.543 20 0 GHADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000182092310 838324970 /nfs/dbraw/zinc/32/49/70/838324970.db2.gz TWMWBEOBIHGNGH-CQSZACIVSA-N 2 2 378.314 3.646 20 0 GHADLP COc1ccc(Br)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000182092310 838324972 /nfs/dbraw/zinc/32/49/72/838324972.db2.gz TWMWBEOBIHGNGH-CQSZACIVSA-N 2 2 378.314 3.646 20 0 GHADLP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000416022467 838421226 /nfs/dbraw/zinc/42/12/26/838421226.db2.gz ZBJRVJMKRAZQOP-MOPGFXCFSA-N 2 2 390.890 3.765 20 0 GHADLP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000416022467 838421233 /nfs/dbraw/zinc/42/12/33/838421233.db2.gz ZBJRVJMKRAZQOP-MOPGFXCFSA-N 2 2 390.890 3.765 20 0 GHADLP O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000416179452 838681093 /nfs/dbraw/zinc/68/10/93/838681093.db2.gz MNEGQLFLANUANV-UHFFFAOYSA-N 2 2 398.510 3.989 20 0 GHADLP O=C(CC[N@H+]1CCc2ccccc2C1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000416179452 838681098 /nfs/dbraw/zinc/68/10/98/838681098.db2.gz MNEGQLFLANUANV-UHFFFAOYSA-N 2 2 398.510 3.989 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000376891251 838817918 /nfs/dbraw/zinc/81/79/18/838817918.db2.gz AEOQKIKLKYFGLO-BHVFFLMSSA-N 2 2 383.511 3.941 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000376891251 838817927 /nfs/dbraw/zinc/81/79/27/838817927.db2.gz AEOQKIKLKYFGLO-BHVFFLMSSA-N 2 2 383.511 3.941 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1C ZINC000580089751 838843720 /nfs/dbraw/zinc/84/37/20/838843720.db2.gz BSNOVIZRBNADJD-IBGZPJMESA-N 2 2 388.556 3.646 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1C ZINC000580089751 838843729 /nfs/dbraw/zinc/84/37/29/838843729.db2.gz BSNOVIZRBNADJD-IBGZPJMESA-N 2 2 388.556 3.646 20 0 GHADLP Oc1ccc(C2=CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000556495549 838888123 /nfs/dbraw/zinc/88/81/23/838888123.db2.gz RDFUVVJYGNPECT-DEOSSOPVSA-N 2 2 378.516 3.772 20 0 GHADLP Oc1ccc(C2=CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000556495549 838888138 /nfs/dbraw/zinc/88/81/38/838888138.db2.gz RDFUVVJYGNPECT-DEOSSOPVSA-N 2 2 378.516 3.772 20 0 GHADLP Oc1ccc(C2=CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000556495549 838888148 /nfs/dbraw/zinc/88/81/48/838888148.db2.gz RDFUVVJYGNPECT-DEOSSOPVSA-N 2 2 378.516 3.772 20 0 GHADLP Oc1ccc(C2=CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000556495549 838888155 /nfs/dbraw/zinc/88/81/55/838888155.db2.gz RDFUVVJYGNPECT-DEOSSOPVSA-N 2 2 378.516 3.772 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C1CC1)C1CCCC1 ZINC000549165379 839116603 /nfs/dbraw/zinc/11/66/03/839116603.db2.gz MJCVWQVGFASJSF-QFIPXVFZSA-N 2 2 383.580 3.810 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C1CC1)C1CCCC1 ZINC000549165379 839116605 /nfs/dbraw/zinc/11/66/05/839116605.db2.gz MJCVWQVGFASJSF-QFIPXVFZSA-N 2 2 383.580 3.810 20 0 GHADLP Cc1cccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549166875 839118148 /nfs/dbraw/zinc/11/81/48/839118148.db2.gz SOZYYQDSQNFMHK-QFIPXVFZSA-N 2 2 379.548 3.502 20 0 GHADLP Cc1cccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549166875 839118157 /nfs/dbraw/zinc/11/81/57/839118157.db2.gz SOZYYQDSQNFMHK-QFIPXVFZSA-N 2 2 379.548 3.502 20 0 GHADLP C[C@@H](NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000549165840 839126552 /nfs/dbraw/zinc/12/65/52/839126552.db2.gz MHAPXDRKWNFIRW-DENIHFKCSA-N 2 2 379.548 3.754 20 0 GHADLP C[C@@H](NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000549165840 839126569 /nfs/dbraw/zinc/12/65/69/839126569.db2.gz MHAPXDRKWNFIRW-DENIHFKCSA-N 2 2 379.548 3.754 20 0 GHADLP CC(C)[C@@H]1C[C@@H](CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000683851105 839156275 /nfs/dbraw/zinc/15/62/75/839156275.db2.gz PQUYIDZLUWEWKP-YDHSSHFGSA-N 2 2 383.580 3.588 20 0 GHADLP CC(C)[C@@H]1C[C@@H](CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000683851105 839156283 /nfs/dbraw/zinc/15/62/83/839156283.db2.gz PQUYIDZLUWEWKP-YDHSSHFGSA-N 2 2 383.580 3.588 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000656257547 839879445 /nfs/dbraw/zinc/87/94/45/839879445.db2.gz KQDRKTVVRXRBQM-KRWDZBQOSA-N 2 2 391.357 3.859 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000656257547 839879454 /nfs/dbraw/zinc/87/94/54/839879454.db2.gz KQDRKTVVRXRBQM-KRWDZBQOSA-N 2 2 391.357 3.859 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000580613996 839901174 /nfs/dbraw/zinc/90/11/74/839901174.db2.gz CNHRSMMVJBJZTB-UHFFFAOYSA-N 2 2 378.451 3.810 20 0 GHADLP CC[NH+](CC)CCCC1CC[NH+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000543870123 840755772 /nfs/dbraw/zinc/75/57/72/840755772.db2.gz OEAYGMLBQHODPL-HXUWFJFHSA-N 2 2 393.522 3.904 20 0 GHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000430547190 841006689 /nfs/dbraw/zinc/00/66/89/841006689.db2.gz UIHUZKHFPMGFKB-XWFZLUIHSA-N 2 2 385.939 3.605 20 0 GHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000430547190 841006694 /nfs/dbraw/zinc/00/66/94/841006694.db2.gz UIHUZKHFPMGFKB-XWFZLUIHSA-N 2 2 385.939 3.605 20 0 GHADLP COc1ncc(Br)cc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660255293 841082412 /nfs/dbraw/zinc/08/24/12/841082412.db2.gz AJTJEHVFLWIZEJ-KBPBESRZSA-N 2 2 382.346 3.595 20 0 GHADLP COc1ncc(Br)cc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660255293 841082425 /nfs/dbraw/zinc/08/24/25/841082425.db2.gz AJTJEHVFLWIZEJ-KBPBESRZSA-N 2 2 382.346 3.595 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000548159930 841092828 /nfs/dbraw/zinc/09/28/28/841092828.db2.gz PXRYTGXHJRJGAA-ZPMCFJSWSA-N 2 2 397.950 3.946 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000548159930 841092835 /nfs/dbraw/zinc/09/28/35/841092835.db2.gz PXRYTGXHJRJGAA-ZPMCFJSWSA-N 2 2 397.950 3.946 20 0 GHADLP C[NH+](C)[C@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000277084010 844612433 /nfs/dbraw/zinc/61/24/33/844612433.db2.gz MSIZCBNOXJVRDM-SFHVURJKSA-N 2 2 379.508 3.550 20 0 GHADLP COCc1ccccc1/C=C(/C)CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000511647384 841317250 /nfs/dbraw/zinc/31/72/50/841317250.db2.gz JVCHNFZEHKODFS-CYVLTUHYSA-N 2 2 394.563 3.696 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(C4CCCCC4)CCCCC3)C2)CC1 ZINC000684281648 841525762 /nfs/dbraw/zinc/52/57/62/841525762.db2.gz KPLHDASGORTCNQ-FQEVSTJZSA-N 2 2 375.601 3.802 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(C4CCCCC4)CCCCC3)C2)CC1 ZINC000684281648 841525767 /nfs/dbraw/zinc/52/57/67/841525767.db2.gz KPLHDASGORTCNQ-FQEVSTJZSA-N 2 2 375.601 3.802 20 0 GHADLP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[N@H+](C)CC(C)(C)[NH3+])c1 ZINC000656785399 841922486 /nfs/dbraw/zinc/92/24/86/841922486.db2.gz OFHMGSXHCUNLFJ-UHFFFAOYSA-N 2 2 394.519 3.726 20 0 GHADLP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CC(C)(C)[NH3+])c1 ZINC000656785399 841922490 /nfs/dbraw/zinc/92/24/90/841922490.db2.gz OFHMGSXHCUNLFJ-UHFFFAOYSA-N 2 2 394.519 3.726 20 0 GHADLP Cc1nc(-c2cc([C@H](C)[NH2+][C@@H]3C[NH2+]CC4(CCOCC4)C3)cs2)cs1 ZINC000925797391 842226471 /nfs/dbraw/zinc/22/64/71/842226471.db2.gz ODZWTMYODOFZDW-BBRMVZONSA-N 2 2 377.579 3.989 20 0 GHADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000276602477 842351161 /nfs/dbraw/zinc/35/11/61/842351161.db2.gz GWJXZNFQBILYIS-KBPBESRZSA-N 2 2 393.778 3.631 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCC2 ZINC000481422144 861315417 /nfs/dbraw/zinc/31/54/17/861315417.db2.gz JWDYDYDTAQXDOM-DEOSSOPVSA-N 2 2 396.531 3.573 20 0 GHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000548307470 842536762 /nfs/dbraw/zinc/53/67/62/842536762.db2.gz ILXICWPTXGRRKQ-HKUYNNGSSA-N 2 2 387.487 3.775 20 0 GHADLP CCN1CC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000511959374 842578804 /nfs/dbraw/zinc/57/88/04/842578804.db2.gz FKYFUFFHNUZHLL-APWZRJJASA-N 2 2 398.498 3.547 20 0 GHADLP O=C(Cc1cn2c([nH+]1)CCCC2)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000652491588 842629344 /nfs/dbraw/zinc/62/93/44/842629344.db2.gz ABSFCLCUINSCCC-UHFFFAOYSA-N 2 2 398.576 3.979 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000581936626 842759370 /nfs/dbraw/zinc/75/93/70/842759370.db2.gz ZCKWXAVQKQGROZ-MRXNPFEDSA-N 2 2 378.476 3.749 20 0 GHADLP C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[NH+]1CCC(C)CC1 ZINC000247298114 842768785 /nfs/dbraw/zinc/76/87/85/842768785.db2.gz DYCJCOWULLNTHB-STZQEDGTSA-N 2 2 395.551 3.531 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(OC)c1OCc1ccccc1 ZINC000581943518 842781701 /nfs/dbraw/zinc/78/17/01/842781701.db2.gz KVDLSCZBXUQYIH-DEOSSOPVSA-N 2 2 396.531 3.858 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(OC)c1OCc1ccccc1 ZINC000581943518 842781708 /nfs/dbraw/zinc/78/17/08/842781708.db2.gz KVDLSCZBXUQYIH-DEOSSOPVSA-N 2 2 396.531 3.858 20 0 GHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[NH+](C)C ZINC000510508940 842876022 /nfs/dbraw/zinc/87/60/22/842876022.db2.gz CGEIYLSWVIRFPH-AVRDEDQJSA-N 2 2 376.504 3.661 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000510540896 842930277 /nfs/dbraw/zinc/93/02/77/842930277.db2.gz XFATXVBJFPIRNZ-JOCHJYFZSA-N 2 2 379.548 3.708 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000510540896 842930284 /nfs/dbraw/zinc/93/02/84/842930284.db2.gz XFATXVBJFPIRNZ-JOCHJYFZSA-N 2 2 379.548 3.708 20 0 GHADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000510540896 842930288 /nfs/dbraw/zinc/93/02/88/842930288.db2.gz XFATXVBJFPIRNZ-JOCHJYFZSA-N 2 2 379.548 3.708 20 0 GHADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000510540896 842930293 /nfs/dbraw/zinc/93/02/93/842930293.db2.gz XFATXVBJFPIRNZ-JOCHJYFZSA-N 2 2 379.548 3.708 20 0 GHADLP C[C@H](CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000430753194 842930453 /nfs/dbraw/zinc/93/04/53/842930453.db2.gz JLABREFBRASCCU-JTDSTZFVSA-N 2 2 395.950 3.758 20 0 GHADLP C[C@@H](CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000430759518 842944157 /nfs/dbraw/zinc/94/41/57/842944157.db2.gz YGCJOSKZAXHMNB-HNAYVOBHSA-N 2 2 395.950 3.758 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247639155 843002995 /nfs/dbraw/zinc/00/29/95/843002995.db2.gz OISFBUJVZPOWSX-JKIFEVAISA-N 2 2 391.313 3.556 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247639155 843003002 /nfs/dbraw/zinc/00/30/02/843003002.db2.gz OISFBUJVZPOWSX-JKIFEVAISA-N 2 2 391.313 3.556 20 0 GHADLP CC[C@@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)CC[C@@H]1[NH3+] ZINC000662271702 843048612 /nfs/dbraw/zinc/04/86/12/843048612.db2.gz YIOHZNZYUVFDNL-YPMHNXCESA-N 2 2 395.263 3.949 20 0 GHADLP CC[C@@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)CC[C@@H]1[NH3+] ZINC000662271702 843048621 /nfs/dbraw/zinc/04/86/21/843048621.db2.gz YIOHZNZYUVFDNL-YPMHNXCESA-N 2 2 395.263 3.949 20 0 GHADLP Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000512318788 843372106 /nfs/dbraw/zinc/37/21/06/843372106.db2.gz RQLMHUIXTDMRRM-HSZRJFAPSA-N 2 2 382.548 3.640 20 0 GHADLP Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000512318788 843372118 /nfs/dbraw/zinc/37/21/18/843372118.db2.gz RQLMHUIXTDMRRM-HSZRJFAPSA-N 2 2 382.548 3.640 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662512676 843377010 /nfs/dbraw/zinc/37/70/10/843377010.db2.gz RKDSNICYGNTVPH-VQTJNVASSA-N 2 2 387.886 3.648 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662512676 843377016 /nfs/dbraw/zinc/37/70/16/843377016.db2.gz RKDSNICYGNTVPH-VQTJNVASSA-N 2 2 387.886 3.648 20 0 GHADLP CC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278870883 843402537 /nfs/dbraw/zinc/40/25/37/843402537.db2.gz LZXIMIHNTRHQNB-MRXNPFEDSA-N 2 2 394.519 3.629 20 0 GHADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(COc3cc(Cl)cc(Cl)c3)CC2)n1 ZINC000431065354 843514487 /nfs/dbraw/zinc/51/44/87/843514487.db2.gz ILIQJFFHSQCXTG-UHFFFAOYSA-N 2 2 399.322 3.861 20 0 GHADLP [NH3+]CCC[C@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000418679621 843535573 /nfs/dbraw/zinc/53/55/73/843535573.db2.gz UDEZAVKKRWXFCD-CTNGQTDRSA-N 2 2 395.551 3.589 20 0 GHADLP C[C@H](OC[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000052003888 843963837 /nfs/dbraw/zinc/96/38/37/843963837.db2.gz WOCAJCNOJIYWSL-UWJYYQICSA-N 2 2 380.960 3.729 20 0 GHADLP C[NH+](C)CCOc1ccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc1F ZINC000458288474 844812851 /nfs/dbraw/zinc/81/28/51/844812851.db2.gz LSEGEEMOKBBVQX-IBGZPJMESA-N 2 2 393.890 3.661 20 0 GHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000512683110 845029401 /nfs/dbraw/zinc/02/94/01/845029401.db2.gz MTPKARWWYDHIRE-ROUUACIJSA-N 2 2 386.971 3.879 20 0 GHADLP CN(C(=O)Nc1cccc2cc[nH]c21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000548506874 845070276 /nfs/dbraw/zinc/07/02/76/845070276.db2.gz HBZPVIZCMRGJRI-LEWJYISDSA-N 2 2 397.567 3.969 20 0 GHADLP CN(C(=O)Nc1cccc2cc[nH]c21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000548506874 845070289 /nfs/dbraw/zinc/07/02/89/845070289.db2.gz HBZPVIZCMRGJRI-LEWJYISDSA-N 2 2 397.567 3.969 20 0 GHADLP Cc1nc(CN2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)oc1C ZINC000411238267 845143835 /nfs/dbraw/zinc/14/38/35/845143835.db2.gz OTPWAVLGDXLTHK-UHFFFAOYSA-N 2 2 382.552 3.595 20 0 GHADLP Cc1ccc(N2CCC(C(=O)Nc3ccccc3Nc3cc[nH+]cc3)CC2)[nH+]c1 ZINC000614256173 845443991 /nfs/dbraw/zinc/44/39/91/845443991.db2.gz YAHVLPIDEKPSCZ-UHFFFAOYSA-N 2 2 387.487 3.806 20 0 GHADLP CC[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(C)ccc1OC ZINC000179408725 861568812 /nfs/dbraw/zinc/56/88/12/861568812.db2.gz OGIHZLOSTPQQBO-QHCPKHFHSA-N 2 2 398.547 3.956 20 0 GHADLP C[N@H+](Cc1ccc(Oc2cc(F)cc(F)c2)cc1)C1CC[NH+](CCO)CC1 ZINC000513542955 845634817 /nfs/dbraw/zinc/63/48/17/845634817.db2.gz LZEWWDGTIJVCCC-UHFFFAOYSA-N 2 2 376.447 3.646 20 0 GHADLP C[N@@H+](Cc1ccc(Oc2cc(F)cc(F)c2)cc1)C1CC[NH+](CCO)CC1 ZINC000513542955 845634822 /nfs/dbraw/zinc/63/48/22/845634822.db2.gz LZEWWDGTIJVCCC-UHFFFAOYSA-N 2 2 376.447 3.646 20 0 GHADLP C[NH+](C)CC[C@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)C(C)(C)C ZINC000236988465 846400862 /nfs/dbraw/zinc/40/08/62/846400862.db2.gz WOULXWSKBIYLKD-SFHVURJKSA-N 2 2 375.538 3.995 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C2CC2)c(F)c1 ZINC000421830500 846607964 /nfs/dbraw/zinc/60/79/64/846607964.db2.gz KBRRXUKVEQCRNM-PKTZIBPZSA-N 2 2 384.495 3.512 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C2CC2)c(F)c1 ZINC000421830500 846607969 /nfs/dbraw/zinc/60/79/69/846607969.db2.gz KBRRXUKVEQCRNM-PKTZIBPZSA-N 2 2 384.495 3.512 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1sccc1NC(=O)OC(C)(C)C ZINC000892235192 846742308 /nfs/dbraw/zinc/74/23/08/846742308.db2.gz UEXUXJHPYLAOSV-HYVNUMGLSA-N 2 2 395.569 3.779 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1sccc1NC(=O)OC(C)(C)C ZINC000892235192 846742313 /nfs/dbraw/zinc/74/23/13/846742313.db2.gz UEXUXJHPYLAOSV-HYVNUMGLSA-N 2 2 395.569 3.779 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](CCc3ccccc3)C(C)C)CC2)CC1 ZINC000422010832 846749984 /nfs/dbraw/zinc/74/99/84/846749984.db2.gz CBGXVJYDMDMKQM-XMMPIXPASA-N 2 2 399.623 3.910 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](CCc3ccccc3)C(C)C)CC2)CC1 ZINC000422010832 846749992 /nfs/dbraw/zinc/74/99/92/846749992.db2.gz CBGXVJYDMDMKQM-XMMPIXPASA-N 2 2 399.623 3.910 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@H]3C[C@H](C)c4c3cccc4C)CC2)CC1 ZINC000422027829 846759227 /nfs/dbraw/zinc/75/92/27/846759227.db2.gz XCDAMJYFHOBYSH-LEWJYISDSA-N 2 2 397.607 3.995 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@H]3C[C@H](C)c4c3cccc4C)CC2)CC1 ZINC000422027829 846759235 /nfs/dbraw/zinc/75/92/35/846759235.db2.gz XCDAMJYFHOBYSH-LEWJYISDSA-N 2 2 397.607 3.995 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000422153857 846860171 /nfs/dbraw/zinc/86/01/71/846860171.db2.gz BUSISWGCQPPKMG-GOTSBHOMSA-N 2 2 398.595 3.524 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000422153857 846860180 /nfs/dbraw/zinc/86/01/80/846860180.db2.gz BUSISWGCQPPKMG-GOTSBHOMSA-N 2 2 398.595 3.524 20 0 GHADLP CC[C@@H](NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccc(C)cc1 ZINC000422130785 846861821 /nfs/dbraw/zinc/86/18/21/846861821.db2.gz BEMLDKQTYQUIBJ-JOCHJYFZSA-N 2 2 386.584 3.648 20 0 GHADLP CC[C@@H](NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccc(C)cc1 ZINC000422130785 846861830 /nfs/dbraw/zinc/86/18/30/846861830.db2.gz BEMLDKQTYQUIBJ-JOCHJYFZSA-N 2 2 386.584 3.648 20 0 GHADLP COCCOc1ccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000272182653 847010619 /nfs/dbraw/zinc/01/06/19/847010619.db2.gz GBXUDHWRUCRZDB-SFHVURJKSA-N 2 2 398.551 3.810 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000604069850 861749259 /nfs/dbraw/zinc/74/92/59/861749259.db2.gz NWSOPEBMTIHCGU-LADGPHEKSA-N 2 2 380.532 3.999 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000604069850 861749270 /nfs/dbraw/zinc/74/92/70/861749270.db2.gz NWSOPEBMTIHCGU-LADGPHEKSA-N 2 2 380.532 3.999 20 0 GHADLP COC[C@@H](C)Oc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000657412134 847071383 /nfs/dbraw/zinc/07/13/83/847071383.db2.gz BTHLTOHVBDFXST-RTBURBONSA-N 2 2 383.536 3.811 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657413497 847081308 /nfs/dbraw/zinc/08/13/08/847081308.db2.gz WKNZPFKFZFIDQM-JPYJTQIMSA-N 2 2 381.520 3.565 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899584 847086540 /nfs/dbraw/zinc/08/65/40/847086540.db2.gz PSOSSVIORHQRAU-WTIAFYNJSA-N 2 2 391.559 3.745 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899584 847086558 /nfs/dbraw/zinc/08/65/58/847086558.db2.gz PSOSSVIORHQRAU-WTIAFYNJSA-N 2 2 391.559 3.745 20 0 GHADLP CCCOc1cccc2c(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)ccnc12 ZINC000501993250 847375542 /nfs/dbraw/zinc/37/55/42/847375542.db2.gz GTKWYUVSPRADLO-SFHVURJKSA-N 2 2 382.552 3.628 20 0 GHADLP CCCOc1cccc2c(N3CC[N@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)ccnc12 ZINC000501993250 847375550 /nfs/dbraw/zinc/37/55/50/847375550.db2.gz GTKWYUVSPRADLO-SFHVURJKSA-N 2 2 382.552 3.628 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NCC[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)ccn12 ZINC000582495516 847410061 /nfs/dbraw/zinc/41/00/61/847410061.db2.gz KULLQBSIUUSSQD-FXAWDEMLSA-N 2 2 376.504 3.673 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NCC[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)ccn12 ZINC000582495516 847410069 /nfs/dbraw/zinc/41/00/69/847410069.db2.gz KULLQBSIUUSSQD-FXAWDEMLSA-N 2 2 376.504 3.673 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)CC3CCCCC3)CC2)CC1 ZINC000422204637 847456044 /nfs/dbraw/zinc/45/60/44/847456044.db2.gz MMENQLIFUCBGQZ-LJQANCHMSA-N 2 2 378.605 3.547 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](C)CC3CCCCC3)CC2)CC1 ZINC000422204637 847456046 /nfs/dbraw/zinc/45/60/46/847456046.db2.gz MMENQLIFUCBGQZ-LJQANCHMSA-N 2 2 378.605 3.547 20 0 GHADLP Cc1cc(CNC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)cc(C)[nH+]1 ZINC000420795997 847457576 /nfs/dbraw/zinc/45/75/76/847457576.db2.gz MUQXALWBQQFLFZ-UHFFFAOYSA-N 2 2 380.536 3.930 20 0 GHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)C2)CC1 ZINC000657453006 847526193 /nfs/dbraw/zinc/52/61/93/847526193.db2.gz NIBNTLSMWIGCOD-AFMYVXGZSA-N 2 2 398.469 3.749 20 0 GHADLP c1cc(C[NH+]2CCOCC2)cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000420928019 847547598 /nfs/dbraw/zinc/54/75/98/847547598.db2.gz BESYHMFZKQBWSQ-UHFFFAOYSA-N 3 2 385.596 3.607 20 0 GHADLP CC(C)[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc2c(c1)OCCO2 ZINC000420948235 847568295 /nfs/dbraw/zinc/56/82/95/847568295.db2.gz PLTDCKKCWBZEIB-DEOSSOPVSA-N 2 2 396.531 3.777 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(F)ccc3Br)CC2)CC1 ZINC000420987048 847593919 /nfs/dbraw/zinc/59/39/19/847593919.db2.gz ZOCYJEVSVQFXKK-UHFFFAOYSA-N 2 2 398.364 3.580 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(F)ccc3Br)CC2)CC1 ZINC000420987048 847593929 /nfs/dbraw/zinc/59/39/29/847593929.db2.gz ZOCYJEVSVQFXKK-UHFFFAOYSA-N 2 2 398.364 3.580 20 0 GHADLP COc1cc(C)c(C[C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1OC ZINC000502245770 847636520 /nfs/dbraw/zinc/63/65/20/847636520.db2.gz ZSEJYVLIJAGEJJ-SFHVURJKSA-N 2 2 379.504 3.978 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000503403718 847667672 /nfs/dbraw/zinc/66/76/72/847667672.db2.gz DOJQVQFPZVNJJS-IRFCIJBXSA-N 2 2 384.568 3.580 20 0 GHADLP O=C(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000503403718 847667677 /nfs/dbraw/zinc/66/76/77/847667677.db2.gz DOJQVQFPZVNJJS-IRFCIJBXSA-N 2 2 384.568 3.580 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cc(F)cc(Cl)c3)CC2)CC1 ZINC000421061674 847675923 /nfs/dbraw/zinc/67/59/23/847675923.db2.gz FVFZGAMWWQCVTK-UHFFFAOYSA-N 2 2 382.911 3.503 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cc(F)cc(Cl)c3)CC2)CC1 ZINC000421061674 847675930 /nfs/dbraw/zinc/67/59/30/847675930.db2.gz FVFZGAMWWQCVTK-UHFFFAOYSA-N 2 2 382.911 3.503 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cs2)cc1OC ZINC000422632963 847741275 /nfs/dbraw/zinc/74/12/75/847741275.db2.gz HMHYQLXDUDBUTD-FMKPAKJESA-N 2 2 375.538 3.633 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cs2)cc1OC ZINC000422632963 847741282 /nfs/dbraw/zinc/74/12/82/847741282.db2.gz HMHYQLXDUDBUTD-FMKPAKJESA-N 2 2 375.538 3.633 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422739216 847803962 /nfs/dbraw/zinc/80/39/62/847803962.db2.gz KTKFQTJFMHAUCJ-USCONSEESA-N 3 2 382.527 3.763 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000422835351 847847752 /nfs/dbraw/zinc/84/77/52/847847752.db2.gz IKRKHGSCLXCQLM-YTAKYCMFSA-N 3 2 391.559 3.885 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000422835351 847847759 /nfs/dbraw/zinc/84/77/59/847847759.db2.gz IKRKHGSCLXCQLM-YTAKYCMFSA-N 3 2 391.559 3.885 20 0 GHADLP C[C@H](c1cccc(NCc2cccc(C[NH+]3CCOCC3)c2)c1)[NH+]1CCOCC1 ZINC000421208930 847850005 /nfs/dbraw/zinc/85/00/05/847850005.db2.gz RXKNKVJLIFAZIU-HXUWFJFHSA-N 2 2 395.547 3.524 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@H]2CCN(c3ccccc3OC)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422851893 847854835 /nfs/dbraw/zinc/85/48/35/847854835.db2.gz PRJSWTIPLJFXJY-ZHRMCQFGSA-N 2 2 395.547 3.613 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423061851 847958036 /nfs/dbraw/zinc/95/80/36/847958036.db2.gz ROFOBRGCXVSKES-YSHGAJCASA-N 2 2 386.458 3.562 20 0 GHADLP FC(F)(F)c1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000657552294 848187690 /nfs/dbraw/zinc/18/76/90/848187690.db2.gz DIWUZBJTGZEEOF-KRWDZBQOSA-N 2 2 376.426 3.782 20 0 GHADLP FC(F)(F)c1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000657552294 848187699 /nfs/dbraw/zinc/18/76/99/848187699.db2.gz DIWUZBJTGZEEOF-KRWDZBQOSA-N 2 2 376.426 3.782 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H](CC(C)(C)C)c3ccccc3)C2)CC1 ZINC000604173694 861929453 /nfs/dbraw/zinc/92/94/53/861929453.db2.gz SNITXNYKLLJRKY-CTNGQTDRSA-N 2 2 386.584 3.632 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H](CC(C)(C)C)c3ccccc3)C2)CC1 ZINC000604173694 861929470 /nfs/dbraw/zinc/92/94/70/861929470.db2.gz SNITXNYKLLJRKY-CTNGQTDRSA-N 2 2 386.584 3.632 20 0 GHADLP CCCOc1ncccc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000180095293 861949997 /nfs/dbraw/zinc/94/99/97/861949997.db2.gz RGDSQQBCHMDWEP-UHFFFAOYSA-N 2 2 388.943 3.565 20 0 GHADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[C@@H]1c1ccccc1 ZINC000525638077 849114351 /nfs/dbraw/zinc/11/43/51/849114351.db2.gz RLWIGQWZGLEFEM-UGKGYDQZSA-N 2 2 397.588 3.518 20 0 GHADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[C@@H]1c1ccccc1 ZINC000525638077 849114354 /nfs/dbraw/zinc/11/43/54/849114354.db2.gz RLWIGQWZGLEFEM-UGKGYDQZSA-N 2 2 397.588 3.518 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000583160940 849221397 /nfs/dbraw/zinc/22/13/97/849221397.db2.gz YBJHLXHPLZMJNT-QFIPXVFZSA-N 2 2 388.515 3.666 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000583160940 849221402 /nfs/dbraw/zinc/22/14/02/849221402.db2.gz YBJHLXHPLZMJNT-QFIPXVFZSA-N 2 2 388.515 3.666 20 0 GHADLP CCCCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H](C)c1ccc(C)o1 ZINC000604208752 861994256 /nfs/dbraw/zinc/99/42/56/861994256.db2.gz MNCXPEYLDGLTGU-OALUTQOASA-N 2 2 390.572 3.629 20 0 GHADLP CCCCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H](C)c1ccc(C)o1 ZINC000604208752 861994270 /nfs/dbraw/zinc/99/42/70/861994270.db2.gz MNCXPEYLDGLTGU-OALUTQOASA-N 2 2 390.572 3.629 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000472284440 849497174 /nfs/dbraw/zinc/49/71/74/849497174.db2.gz ADNBSTDMNXXVPM-ROUUACIJSA-N 2 2 395.975 3.717 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000472284440 849497178 /nfs/dbraw/zinc/49/71/78/849497178.db2.gz ADNBSTDMNXXVPM-ROUUACIJSA-N 2 2 395.975 3.717 20 0 GHADLP C[C@H]1CC(N2CC[NH+](Cc3ccccn3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168046236 862043015 /nfs/dbraw/zinc/04/30/15/862043015.db2.gz MXLZIRNMKSKRNX-SFTDATJTSA-N 2 2 378.564 3.641 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000423148434 849760609 /nfs/dbraw/zinc/76/06/09/849760609.db2.gz GAGACZVMJAEDLK-WZONZLPQSA-N 3 2 386.584 3.510 20 0 GHADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1=O ZINC000423138062 849771536 /nfs/dbraw/zinc/77/15/36/849771536.db2.gz RXKFCOLZZLDZSR-NNYHOXTNSA-N 2 2 395.522 3.961 20 0 GHADLP [NH3+][C@H]1CCCCC[C@@H]1NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000423183009 849775700 /nfs/dbraw/zinc/77/57/00/849775700.db2.gz MHBORDZYBDRAQZ-OALUTQOASA-N 2 2 380.374 3.663 20 0 GHADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423397087 849901396 /nfs/dbraw/zinc/90/13/96/849901396.db2.gz OBKOMNNGQOTLFL-KKSFZXQISA-N 2 2 377.488 3.855 20 0 GHADLP O=C(NCC[NH2+]C1CCCCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000414756717 850027923 /nfs/dbraw/zinc/02/79/23/850027923.db2.gz VYXSVHGCDFYQBX-UHFFFAOYSA-N 2 2 379.574 3.563 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)c2c[nH]c3ncccc23)c(C)c1 ZINC000504393655 850050158 /nfs/dbraw/zinc/05/01/58/850050158.db2.gz IMQMBORGMFLNNF-UWJYYQICSA-N 2 2 387.487 3.979 20 0 GHADLP CC(C)C[C@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(=O)OC(C)(C)C ZINC000424325275 850363594 /nfs/dbraw/zinc/36/35/94/850363594.db2.gz MMLJXRBVJNALHN-LJQANCHMSA-N 2 2 375.557 3.640 20 0 GHADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(Oc4cc(F)cc(F)c4)cc3)CC2)C1 ZINC000668740608 850459759 /nfs/dbraw/zinc/45/97/59/850459759.db2.gz KJAQXLSKTKIVKB-FQEVSTJZSA-N 2 2 388.458 3.788 20 0 GHADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc(Oc4cc(F)cc(F)c4)cc3)CC2)C1 ZINC000668740608 850459766 /nfs/dbraw/zinc/45/97/66/850459766.db2.gz KJAQXLSKTKIVKB-FQEVSTJZSA-N 2 2 388.458 3.788 20 0 GHADLP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000424435722 850468490 /nfs/dbraw/zinc/46/84/90/850468490.db2.gz LTKOOIPYGNOKKE-SFTDATJTSA-N 2 2 375.476 3.701 20 0 GHADLP COc1cc(C)c(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000435430443 850514367 /nfs/dbraw/zinc/51/43/67/850514367.db2.gz BOHXZZOKKZAFMG-LJQANCHMSA-N 2 2 387.549 3.613 20 0 GHADLP COc1cc(C)c(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000435430443 850514369 /nfs/dbraw/zinc/51/43/69/850514369.db2.gz BOHXZZOKKZAFMG-LJQANCHMSA-N 2 2 387.549 3.613 20 0 GHADLP CC(C)[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(F)cc1 ZINC000506805060 850974162 /nfs/dbraw/zinc/97/41/62/850974162.db2.gz FLMREJXYTNFGRX-UHFFFAOYSA-N 2 2 399.510 3.507 20 0 GHADLP CC(C)[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(F)cc1 ZINC000506805060 850974171 /nfs/dbraw/zinc/97/41/71/850974171.db2.gz FLMREJXYTNFGRX-UHFFFAOYSA-N 2 2 399.510 3.507 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000487922312 850980572 /nfs/dbraw/zinc/98/05/72/850980572.db2.gz UGDIOWKCUYIRQC-MOPGFXCFSA-N 2 2 386.536 3.617 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000487922312 850980580 /nfs/dbraw/zinc/98/05/80/850980580.db2.gz UGDIOWKCUYIRQC-MOPGFXCFSA-N 2 2 386.536 3.617 20 0 GHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000487922312 850980584 /nfs/dbraw/zinc/98/05/84/850980584.db2.gz UGDIOWKCUYIRQC-MOPGFXCFSA-N 2 2 386.536 3.617 20 0 GHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000487922312 850980592 /nfs/dbraw/zinc/98/05/92/850980592.db2.gz UGDIOWKCUYIRQC-MOPGFXCFSA-N 2 2 386.536 3.617 20 0 GHADLP C[C@@H]([NH2+]Cc1cn2ccc(Br)cc2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000519482977 851118429 /nfs/dbraw/zinc/11/84/29/851118429.db2.gz HUYOGPSEUPRUCY-CABCVRRESA-N 2 2 391.357 3.839 20 0 GHADLP C[C@@H]([NH2+]Cc1cn2ccc(Br)cc2n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000519482977 851118436 /nfs/dbraw/zinc/11/84/36/851118436.db2.gz HUYOGPSEUPRUCY-CABCVRRESA-N 2 2 391.357 3.839 20 0 GHADLP CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000434617337 851357680 /nfs/dbraw/zinc/35/76/80/851357680.db2.gz UDLWFTHCQJZQRX-HSZRJFAPSA-N 2 2 398.526 3.589 20 0 GHADLP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000434617337 851357690 /nfs/dbraw/zinc/35/76/90/851357690.db2.gz UDLWFTHCQJZQRX-HSZRJFAPSA-N 2 2 398.526 3.589 20 0 GHADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000509992455 851560726 /nfs/dbraw/zinc/56/07/26/851560726.db2.gz MRMXMHOZQQLKSN-OAQYLSRUSA-N 2 2 381.564 3.511 20 0 GHADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414884614 851608778 /nfs/dbraw/zinc/60/87/78/851608778.db2.gz FVJYAYJKIFPMQD-KRWDZBQOSA-N 2 2 377.330 3.585 20 0 GHADLP C[N@H+](CCCc1nc(-c2cccs2)no1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434747726 851615491 /nfs/dbraw/zinc/61/54/91/851615491.db2.gz POAXEFSYNPXEEE-PXNSSMCTSA-N 2 2 397.548 3.751 20 0 GHADLP C[N@@H+](CCCc1nc(-c2cccs2)no1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434747726 851615499 /nfs/dbraw/zinc/61/54/99/851615499.db2.gz POAXEFSYNPXEEE-PXNSSMCTSA-N 2 2 397.548 3.751 20 0 GHADLP C[NH+](CCCc1nc(-c2cccs2)no1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434747726 851615508 /nfs/dbraw/zinc/61/55/08/851615508.db2.gz POAXEFSYNPXEEE-PXNSSMCTSA-N 2 2 397.548 3.751 20 0 GHADLP C[NH+](CCCc1nc(-c2cccs2)no1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434747726 851615515 /nfs/dbraw/zinc/61/55/15/851615515.db2.gz POAXEFSYNPXEEE-PXNSSMCTSA-N 2 2 397.548 3.751 20 0 GHADLP C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425941985 851943606 /nfs/dbraw/zinc/94/36/06/851943606.db2.gz DEKILKNYGJFXNT-VGSWGCGISA-N 2 2 390.474 3.918 20 0 GHADLP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425941985 851943610 /nfs/dbraw/zinc/94/36/10/851943610.db2.gz DEKILKNYGJFXNT-VGSWGCGISA-N 2 2 390.474 3.918 20 0 GHADLP C[C@H](c1ccc(OC(F)F)cc1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425941985 851943613 /nfs/dbraw/zinc/94/36/13/851943613.db2.gz DEKILKNYGJFXNT-VGSWGCGISA-N 2 2 390.474 3.918 20 0 GHADLP C[C@H](c1ccc(OC(F)F)cc1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425941985 851943617 /nfs/dbraw/zinc/94/36/17/851943617.db2.gz DEKILKNYGJFXNT-VGSWGCGISA-N 2 2 390.474 3.918 20 0 GHADLP Cc1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccn1C(C)C ZINC000489133007 852052466 /nfs/dbraw/zinc/05/24/66/852052466.db2.gz WFIMUNIORCXMTK-FCHUYYIVSA-N 2 2 388.600 3.787 20 0 GHADLP Cc1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccn1C(C)C ZINC000489133007 852052479 /nfs/dbraw/zinc/05/24/79/852052479.db2.gz WFIMUNIORCXMTK-FCHUYYIVSA-N 2 2 388.600 3.787 20 0 GHADLP Brc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000517538217 852067352 /nfs/dbraw/zinc/06/73/52/852067352.db2.gz UBGHIWDCTYMABY-UHFFFAOYSA-N 2 2 388.353 3.751 20 0 GHADLP CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000438318439 852261689 /nfs/dbraw/zinc/26/16/89/852261689.db2.gz DCJORTRAUXWLBC-HSZRJFAPSA-N 2 2 380.532 3.663 20 0 GHADLP Cn1c[nH+]cc1CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000517698688 852286400 /nfs/dbraw/zinc/28/64/00/852286400.db2.gz FEXSGPLCEKSQIJ-QHCPKHFHSA-N 2 2 394.563 3.646 20 0 GHADLP C[C@@H](c1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000517855678 852522479 /nfs/dbraw/zinc/52/24/79/852522479.db2.gz GNDDEJIEOODXDK-CVDCTZTESA-N 2 2 393.531 3.683 20 0 GHADLP C[C@@H](c1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000517855678 852522481 /nfs/dbraw/zinc/52/24/81/852522481.db2.gz GNDDEJIEOODXDK-CVDCTZTESA-N 2 2 393.531 3.683 20 0 GHADLP Cc1ccc(C[C@H](C)C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000489708840 852538119 /nfs/dbraw/zinc/53/81/19/852538119.db2.gz AOAVHZMKBCKZPK-ZTCOLXNVSA-N 2 2 399.623 3.969 20 0 GHADLP Cc1ccc(C[C@H](C)C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000489708840 852538124 /nfs/dbraw/zinc/53/81/24/852538124.db2.gz AOAVHZMKBCKZPK-ZTCOLXNVSA-N 2 2 399.623 3.969 20 0 GHADLP C[C@H]1C[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000507095370 852539929 /nfs/dbraw/zinc/53/99/29/852539929.db2.gz RKCLLRJMOZJSBB-YUQCVWRMSA-N 2 2 377.617 3.854 20 0 GHADLP C[C@H]1C[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000507095370 852539934 /nfs/dbraw/zinc/53/99/34/852539934.db2.gz RKCLLRJMOZJSBB-YUQCVWRMSA-N 2 2 377.617 3.854 20 0 GHADLP CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425672275 852575742 /nfs/dbraw/zinc/57/57/42/852575742.db2.gz KEZRJTORFTVTIP-UHFFFAOYSA-N 2 2 383.540 3.938 20 0 GHADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000425674010 852576365 /nfs/dbraw/zinc/57/63/65/852576365.db2.gz OERAQHBZKFOGDO-LJQANCHMSA-N 2 2 393.535 3.979 20 0 GHADLP COc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1F ZINC000192679872 852917588 /nfs/dbraw/zinc/91/75/88/852917588.db2.gz XVOSGFJAZNJAKS-OAHLLOKOSA-N 2 2 375.463 3.576 20 0 GHADLP FC(F)n1c2ccccc2nc1CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507470664 852943600 /nfs/dbraw/zinc/94/36/00/852943600.db2.gz NKHFTRGDSMEITE-UHFFFAOYSA-N 2 2 390.400 3.980 20 0 GHADLP C[NH+](C)C1(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CCCCC1 ZINC000426237579 853103916 /nfs/dbraw/zinc/10/39/16/853103916.db2.gz LGUJRYJVIXEHPQ-NHCUHLMSSA-N 2 2 395.551 3.675 20 0 GHADLP C[C@@H]1C[N@@H+]([C@@H]2CCc3c2cc(Cl)cc3Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490628494 853151334 /nfs/dbraw/zinc/15/13/34/853151334.db2.gz HJKUQKHRNPBNKD-JSNMRZPZSA-N 2 2 382.379 3.939 20 0 GHADLP C[C@@H]1C[N@H+]([C@@H]2CCc3c2cc(Cl)cc3Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490628494 853151338 /nfs/dbraw/zinc/15/13/38/853151338.db2.gz HJKUQKHRNPBNKD-JSNMRZPZSA-N 2 2 382.379 3.939 20 0 GHADLP COc1ccccc1-c1ncc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cn1 ZINC000490777454 853253640 /nfs/dbraw/zinc/25/36/40/853253640.db2.gz RAUSBFCXBYIQDJ-UHFFFAOYSA-N 2 2 380.536 3.896 20 0 GHADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2nc3ccccc3c(-c3ccccc3)c2C(=O)OC)C1 ZINC000517031713 853281139 /nfs/dbraw/zinc/28/11/39/853281139.db2.gz YALLHSWYOSLYBY-KRWDZBQOSA-N 2 2 389.499 3.730 20 0 GHADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2nc3ccccc3c(-c3ccccc3)c2C(=O)OC)C1 ZINC000517031713 853281144 /nfs/dbraw/zinc/28/11/44/853281144.db2.gz YALLHSWYOSLYBY-KRWDZBQOSA-N 2 2 389.499 3.730 20 0 GHADLP FC(F)(F)c1cc(Cl)cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000437575513 853283627 /nfs/dbraw/zinc/28/36/27/853283627.db2.gz DLISUWKKXBLNSJ-UHFFFAOYSA-N 2 2 376.850 3.903 20 0 GHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437647414 853361028 /nfs/dbraw/zinc/36/10/28/853361028.db2.gz CQJQYAKFRLUABX-JOCHJYFZSA-N 2 2 395.551 3.528 20 0 GHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437647414 853361036 /nfs/dbraw/zinc/36/10/36/853361036.db2.gz CQJQYAKFRLUABX-JOCHJYFZSA-N 2 2 395.551 3.528 20 0 GHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCC[NH+]2CCCC2)n1 ZINC000518578813 853527011 /nfs/dbraw/zinc/52/70/11/853527011.db2.gz MRQDJDGQCLPJLL-UHFFFAOYSA-N 2 2 381.549 3.928 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c(C)c1 ZINC000440843711 853676041 /nfs/dbraw/zinc/67/60/41/853676041.db2.gz LZHBUQVKFYUQDH-DENIHFKCSA-N 2 2 397.567 3.662 20 0 GHADLP C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000171585249 862493702 /nfs/dbraw/zinc/49/37/02/862493702.db2.gz BNOYVPUFFVPDMM-QGZVFWFLSA-N 2 2 384.524 3.998 20 0 GHADLP C[C@@H](OC[C@@H](O)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000571633768 853969882 /nfs/dbraw/zinc/96/98/82/853969882.db2.gz CGXALFFHORWGKY-VGSWGCGISA-N 2 2 399.922 3.813 20 0 GHADLP O=C([C@H](c1ccccc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCCCC1 ZINC000441397693 854179839 /nfs/dbraw/zinc/17/98/39/854179839.db2.gz FPTHFPRCLXSYCI-MZYLBHOOSA-N 2 2 381.564 3.689 20 0 GHADLP O=C([C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCCCC1 ZINC000441397693 854179843 /nfs/dbraw/zinc/17/98/43/854179843.db2.gz FPTHFPRCLXSYCI-MZYLBHOOSA-N 2 2 381.564 3.689 20 0 GHADLP O=C([C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCCCC1 ZINC000441397693 854179847 /nfs/dbraw/zinc/17/98/47/854179847.db2.gz FPTHFPRCLXSYCI-MZYLBHOOSA-N 2 2 381.564 3.689 20 0 GHADLP O=C([C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCCCC1 ZINC000441397693 854179849 /nfs/dbraw/zinc/17/98/49/854179849.db2.gz FPTHFPRCLXSYCI-MZYLBHOOSA-N 2 2 381.564 3.689 20 0 GHADLP CCC(CC)[C@H](CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)[NH+]1CCCC1 ZINC000550330380 854220162 /nfs/dbraw/zinc/22/01/62/854220162.db2.gz APAKOOSPJCNPPD-QFIPXVFZSA-N 2 2 397.567 3.631 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000588689748 854360639 /nfs/dbraw/zinc/36/06/39/854360639.db2.gz QZKOHYFRWLTQNE-HKUYNNGSSA-N 2 2 376.953 3.959 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000588689748 854360642 /nfs/dbraw/zinc/36/06/42/854360642.db2.gz QZKOHYFRWLTQNE-HKUYNNGSSA-N 2 2 376.953 3.959 20 0 GHADLP CCC[N@H+](Cc1csc(-c2ccc(OC)c(OC)c2)n1)C1CC[NH2+]CC1 ZINC000572159321 854390589 /nfs/dbraw/zinc/39/05/89/854390589.db2.gz GAOPACANXDOAQC-UHFFFAOYSA-N 2 2 375.538 3.791 20 0 GHADLP CCC[N@@H+](Cc1csc(-c2ccc(OC)c(OC)c2)n1)C1CC[NH2+]CC1 ZINC000572159321 854390597 /nfs/dbraw/zinc/39/05/97/854390597.db2.gz GAOPACANXDOAQC-UHFFFAOYSA-N 2 2 375.538 3.791 20 0 GHADLP COc1cc2cc[nH+]c(N3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2cc1F ZINC000572276221 854470039 /nfs/dbraw/zinc/47/00/39/854470039.db2.gz DKPIGIFHXCJQKB-IYBDPMFKSA-N 2 2 387.499 3.708 20 0 GHADLP COc1cc2cc[nH+]c(N3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2cc1F ZINC000572276221 854470043 /nfs/dbraw/zinc/47/00/43/854470043.db2.gz DKPIGIFHXCJQKB-IYBDPMFKSA-N 2 2 387.499 3.708 20 0 GHADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1NC(C)=O ZINC000572482381 854518849 /nfs/dbraw/zinc/51/88/49/854518849.db2.gz QDCZUCQEZDYSNH-NRFANRHFSA-N 2 2 393.531 3.940 20 0 GHADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1NC(C)=O ZINC000572482381 854518856 /nfs/dbraw/zinc/51/88/56/854518856.db2.gz QDCZUCQEZDYSNH-NRFANRHFSA-N 2 2 393.531 3.940 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)c(Br)cc1F ZINC000624014685 862583369 /nfs/dbraw/zinc/58/33/69/862583369.db2.gz DUQACMATRLNBNP-WCQYABFASA-N 2 2 389.284 3.631 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000069574409 854679537 /nfs/dbraw/zinc/67/95/37/854679537.db2.gz RQPIREYVDAEKBQ-SJORKVTESA-N 2 2 398.378 3.581 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000069574409 854679541 /nfs/dbraw/zinc/67/95/41/854679541.db2.gz RQPIREYVDAEKBQ-SJORKVTESA-N 2 2 398.378 3.581 20 0 GHADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC001168611249 854843203 /nfs/dbraw/zinc/84/32/03/854843203.db2.gz AIIBKUAPNJSGAR-JOCHJYFZSA-N 2 2 395.547 3.711 20 0 GHADLP CC(C)n1c[nH+]cc1CN(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000425375675 854844673 /nfs/dbraw/zinc/84/46/73/854844673.db2.gz DEZQYHGQYWFMSE-UHFFFAOYSA-N 2 2 379.346 3.790 20 0 GHADLP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OCCC ZINC000765800367 854865343 /nfs/dbraw/zinc/86/53/43/854865343.db2.gz ZZTAIGCNTPODSE-IHPCNDPISA-N 2 2 376.541 3.778 20 0 GHADLP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1OCCC ZINC000765800367 854865349 /nfs/dbraw/zinc/86/53/49/854865349.db2.gz ZZTAIGCNTPODSE-IHPCNDPISA-N 2 2 376.541 3.778 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(SCC(F)F)cc1 ZINC000482033924 862627083 /nfs/dbraw/zinc/62/70/83/862627083.db2.gz QGFHAEIYENHQJD-MAUKXSAKSA-N 2 2 399.551 3.637 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(SCC(F)F)cc1 ZINC000482033924 862627096 /nfs/dbraw/zinc/62/70/96/862627096.db2.gz QGFHAEIYENHQJD-MAUKXSAKSA-N 2 2 399.551 3.637 20 0 GHADLP Cc1ccc2cc(C[NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)ccc2n1 ZINC000189290355 855058866 /nfs/dbraw/zinc/05/88/66/855058866.db2.gz SXPDZCIKIRIWIF-UHFFFAOYSA-N 2 2 391.515 3.544 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000330252884 862696310 /nfs/dbraw/zinc/69/63/10/862696310.db2.gz IPVIXZLGXOSDKT-PZJWPPBQSA-N 2 2 396.535 3.742 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000330252884 862696314 /nfs/dbraw/zinc/69/63/14/862696314.db2.gz IPVIXZLGXOSDKT-PZJWPPBQSA-N 2 2 396.535 3.742 20 0 GHADLP COc1ccc(C[C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1OC ZINC000765849229 855620959 /nfs/dbraw/zinc/62/09/59/855620959.db2.gz UFAPGLKSFLNDME-SFHVURJKSA-N 2 2 397.563 3.959 20 0 GHADLP CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000056867270 855698808 /nfs/dbraw/zinc/69/88/08/855698808.db2.gz BCKYUTBWDVQDLG-UHFFFAOYSA-N 2 2 378.476 3.845 20 0 GHADLP COc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000542852448 856139741 /nfs/dbraw/zinc/13/97/41/856139741.db2.gz DELJGIAICXQXKI-RDTXWAMCSA-N 2 2 379.342 3.906 20 0 GHADLP COc1cc(Br)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000542852448 856139753 /nfs/dbraw/zinc/13/97/53/856139753.db2.gz DELJGIAICXQXKI-RDTXWAMCSA-N 2 2 379.342 3.906 20 0 GHADLP COc1cc(Br)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000542852448 856139756 /nfs/dbraw/zinc/13/97/56/856139756.db2.gz DELJGIAICXQXKI-RDTXWAMCSA-N 2 2 379.342 3.906 20 0 GHADLP COc1cc(Br)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000542852448 856139761 /nfs/dbraw/zinc/13/97/61/856139761.db2.gz DELJGIAICXQXKI-RDTXWAMCSA-N 2 2 379.342 3.906 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(C)c1 ZINC000624782261 856355350 /nfs/dbraw/zinc/35/53/50/856355350.db2.gz HNNJYQAUYOEQKJ-UNMCSNQZSA-N 2 2 395.551 3.557 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c(C)c1 ZINC000624782261 856355354 /nfs/dbraw/zinc/35/53/54/856355354.db2.gz HNNJYQAUYOEQKJ-UNMCSNQZSA-N 2 2 395.551 3.557 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168573676 856366415 /nfs/dbraw/zinc/36/64/15/856366415.db2.gz SASINQWOOGFHFS-GJZGRUSLSA-N 2 2 390.450 3.535 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168573676 856366428 /nfs/dbraw/zinc/36/64/28/856366428.db2.gz SASINQWOOGFHFS-GJZGRUSLSA-N 2 2 390.450 3.535 20 0 GHADLP C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485414038 856459760 /nfs/dbraw/zinc/45/97/60/856459760.db2.gz NUEMEPOEAGEWQF-ZEYPLWLESA-N 2 2 377.532 3.507 20 0 GHADLP C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485414038 856459765 /nfs/dbraw/zinc/45/97/65/856459765.db2.gz NUEMEPOEAGEWQF-ZEYPLWLESA-N 2 2 377.532 3.507 20 0 GHADLP COCCOc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000665253293 857052630 /nfs/dbraw/zinc/05/26/30/857052630.db2.gz MZBMVBAFDRQNQB-YIFZBPKDSA-N 2 2 390.474 3.786 20 0 GHADLP C[C@@H]1CN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001128960620 857100394 /nfs/dbraw/zinc/10/03/94/857100394.db2.gz BISNWZDKAOMACV-PGRDOPGGSA-N 2 2 399.966 3.923 20 0 GHADLP C[C@@H]1CN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001128960620 857100395 /nfs/dbraw/zinc/10/03/95/857100395.db2.gz BISNWZDKAOMACV-PGRDOPGGSA-N 2 2 399.966 3.923 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2)cc1F ZINC000665258927 857191376 /nfs/dbraw/zinc/19/13/76/857191376.db2.gz PGYIDOABISSFMM-LRQRDZAKSA-N 2 2 399.510 3.595 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCC[N@H+](C)C2CCCCC2)c1C ZINC000057612604 857221397 /nfs/dbraw/zinc/22/13/97/857221397.db2.gz PZPUKUIKNGUGOJ-UHFFFAOYSA-N 2 2 376.545 3.503 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCC[N@@H+](C)C2CCCCC2)c1C ZINC000057612604 857221406 /nfs/dbraw/zinc/22/14/06/857221406.db2.gz PZPUKUIKNGUGOJ-UHFFFAOYSA-N 2 2 376.545 3.503 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188909 862908418 /nfs/dbraw/zinc/90/84/18/862908418.db2.gz LNUWFEXOICEMIT-UZLBHIALSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188909 862908433 /nfs/dbraw/zinc/90/84/33/862908433.db2.gz LNUWFEXOICEMIT-UZLBHIALSA-N 2 2 377.960 3.684 20 0 GHADLP CC(C)Cc1cccc([C@H](C)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671720604 857446373 /nfs/dbraw/zinc/44/63/73/857446373.db2.gz PKDMVSZHLBYLPI-CVDCTZTESA-N 2 2 385.596 3.616 20 0 GHADLP CC(C)Cc1cccc([C@H](C)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671720604 857446375 /nfs/dbraw/zinc/44/63/75/857446375.db2.gz PKDMVSZHLBYLPI-CVDCTZTESA-N 2 2 385.596 3.616 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cnn1-c1ccc(F)cc1 ZINC000675880875 857659472 /nfs/dbraw/zinc/65/94/72/857659472.db2.gz ICTISKYFSCJMDJ-IERDGZPVSA-N 2 2 386.515 3.614 20 0 GHADLP Cc1ccc(-c2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cs2)o1 ZINC000064344364 857697376 /nfs/dbraw/zinc/69/73/76/857697376.db2.gz SDAXMRGMWKEGCZ-UHFFFAOYSA-N 2 2 375.538 3.646 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC000676477927 857899197 /nfs/dbraw/zinc/89/91/97/857899197.db2.gz PJNOZIMLJKCDGK-CMKODMSKSA-N 2 2 376.504 3.939 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC000676477927 857899203 /nfs/dbraw/zinc/89/92/03/857899203.db2.gz PJNOZIMLJKCDGK-CMKODMSKSA-N 2 2 376.504 3.939 20 0 GHADLP CS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C1 ZINC000922160088 858165701 /nfs/dbraw/zinc/16/57/01/858165701.db2.gz UDXMUPZNRUKJQG-LEWJYISDSA-N 2 2 375.582 3.873 20 0 GHADLP CC[C@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[NH+](CC)CC ZINC000605425063 863022328 /nfs/dbraw/zinc/02/23/28/863022328.db2.gz RFEGQAYKTGQSJX-MSOLQXFVSA-N 2 2 383.939 3.853 20 0 GHADLP Cc1cccc([C@@H]2CCCN2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000466145361 858481199 /nfs/dbraw/zinc/48/11/99/858481199.db2.gz MBEQTMQJTRDRNS-QFIPXVFZSA-N 2 2 398.595 3.792 20 0 GHADLP O[C@H](COc1ccc2ccccc2c1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000761121470 858603027 /nfs/dbraw/zinc/60/30/27/858603027.db2.gz GZWTYWODDXHLHC-NRFANRHFSA-N 2 2 377.488 3.551 20 0 GHADLP CSC1(CNc2[nH+]cnc3c2c(C)c(C)n3Cc2ccco2)CC[NH+](C)CC1 ZINC000575171298 858615763 /nfs/dbraw/zinc/61/57/63/858615763.db2.gz OAGPJHAJSBCERX-UHFFFAOYSA-N 2 2 399.564 3.929 20 0 GHADLP CCOC(=O)c1ccnc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168016376 858617373 /nfs/dbraw/zinc/61/73/73/858617373.db2.gz VOUZEJNBNQZUBX-RMFSNUHRSA-N 2 2 381.520 3.790 20 0 GHADLP CCOC(=O)c1ccnc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168016376 858617381 /nfs/dbraw/zinc/61/73/81/858617381.db2.gz VOUZEJNBNQZUBX-RMFSNUHRSA-N 2 2 381.520 3.790 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000482643622 858718230 /nfs/dbraw/zinc/71/82/30/858718230.db2.gz PWPQBZWHNKGLPR-OXQOHEQNSA-N 2 2 385.483 3.608 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000482643622 858718235 /nfs/dbraw/zinc/71/82/35/858718235.db2.gz PWPQBZWHNKGLPR-OXQOHEQNSA-N 2 2 385.483 3.608 20 0 GHADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000181930662 863058872 /nfs/dbraw/zinc/05/88/72/863058872.db2.gz VQJJELJJUAGKLA-LJQANCHMSA-N 2 2 380.536 3.508 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnnn1-c1ccccc1 ZINC000676686040 858756880 /nfs/dbraw/zinc/75/68/80/858756880.db2.gz JHNGDUNRWNVFGO-QFIPXVFZSA-N 2 2 375.520 3.658 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnnn1-c1ccccc1 ZINC000676686040 858756885 /nfs/dbraw/zinc/75/68/85/858756885.db2.gz JHNGDUNRWNVFGO-QFIPXVFZSA-N 2 2 375.520 3.658 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cnn1-c1cccc(Cl)c1 ZINC000482737915 858808726 /nfs/dbraw/zinc/80/87/26/858808726.db2.gz CLPQURZIMOHNSX-UZLBHIALSA-N 2 2 390.959 3.578 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(F)cccc3Cl)C2)ccn1 ZINC000856553913 881381725 /nfs/dbraw/zinc/38/17/25/881381725.db2.gz DYFPMDOYQMJDNT-QGZVFWFLSA-N 2 2 377.891 3.979 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(F)cccc3Cl)C2)ccn1 ZINC000856553913 881381746 /nfs/dbraw/zinc/38/17/46/881381746.db2.gz DYFPMDOYQMJDNT-QGZVFWFLSA-N 2 2 377.891 3.979 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3c(F)cccc3Cl)C2)ccn1 ZINC000856553913 881381765 /nfs/dbraw/zinc/38/17/65/881381765.db2.gz DYFPMDOYQMJDNT-QGZVFWFLSA-N 2 2 377.891 3.979 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3c(F)cccc3Cl)C2)ccn1 ZINC000856553913 881381784 /nfs/dbraw/zinc/38/17/84/881381784.db2.gz DYFPMDOYQMJDNT-QGZVFWFLSA-N 2 2 377.891 3.979 20 0 GHADLP Fc1ccc(NC2CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000509357332 859160925 /nfs/dbraw/zinc/16/09/25/859160925.db2.gz KATFCYQWGIFXKH-UHFFFAOYSA-N 2 2 396.554 3.914 20 0 GHADLP CC[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000648417440 859162560 /nfs/dbraw/zinc/16/25/60/859162560.db2.gz OCBOZFNIEDLCBH-UYAOXDASSA-N 2 2 399.501 3.765 20 0 GHADLP COC(=O)C[C@H]([NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)c1cccnc1 ZINC001168026128 859270332 /nfs/dbraw/zinc/27/03/32/859270332.db2.gz LDJYHOZAIYGQFL-HMFYCAOWSA-N 2 2 381.520 3.717 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]3CC3CCCCC3)CC2)CC1 ZINC000051761190 859313463 /nfs/dbraw/zinc/31/34/63/859313463.db2.gz TUORRQXWABQUKT-QFIPXVFZSA-N 2 2 390.616 3.689 20 0 GHADLP c1ccc(C[N@H+]2CCSC[C@H]2CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000429430031 859355105 /nfs/dbraw/zinc/35/51/05/859355105.db2.gz ABTIYJVBHONNQP-HSZRJFAPSA-N 2 2 387.637 3.991 20 0 GHADLP c1ccc(C[N@@H+]2CCSC[C@H]2CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000429430031 859355109 /nfs/dbraw/zinc/35/51/09/859355109.db2.gz ABTIYJVBHONNQP-HSZRJFAPSA-N 2 2 387.637 3.991 20 0 GHADLP COC(=O)c1oc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1C ZINC000597228087 859363413 /nfs/dbraw/zinc/36/34/13/859363413.db2.gz CQLDKPKPYNRNNR-IBGZPJMESA-N 2 2 382.504 3.767 20 0 GHADLP COC(=O)c1oc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1C ZINC000597228087 859363419 /nfs/dbraw/zinc/36/34/19/859363419.db2.gz CQLDKPKPYNRNNR-IBGZPJMESA-N 2 2 382.504 3.767 20 0 GHADLP Brc1cnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000895407183 859408332 /nfs/dbraw/zinc/40/83/32/859408332.db2.gz MYLSDLOEYBYYSG-INIZCTEOSA-N 2 2 387.325 3.526 20 0 GHADLP Brc1cnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000895407183 859408339 /nfs/dbraw/zinc/40/83/39/859408339.db2.gz MYLSDLOEYBYYSG-INIZCTEOSA-N 2 2 387.325 3.526 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)[C@@H](C)C1 ZINC000483720683 859559355 /nfs/dbraw/zinc/55/93/55/859559355.db2.gz GLVWEFSYGKFXHH-XWUOBKMESA-N 3 2 393.641 3.858 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)[C@@H](C)C1 ZINC000483720683 859559360 /nfs/dbraw/zinc/55/93/60/859559360.db2.gz GLVWEFSYGKFXHH-XWUOBKMESA-N 3 2 393.641 3.858 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@@H](C)C1 ZINC000483720683 859559365 /nfs/dbraw/zinc/55/93/65/859559365.db2.gz GLVWEFSYGKFXHH-XWUOBKMESA-N 3 2 393.641 3.858 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@@H](C)C1 ZINC000483720683 859559368 /nfs/dbraw/zinc/55/93/68/859559368.db2.gz GLVWEFSYGKFXHH-XWUOBKMESA-N 3 2 393.641 3.858 20 0 GHADLP Cc1ccc(NCc2cc(-n3cc[nH+]c3)cs2)cc1NC(=O)CC[NH+](C)C ZINC000466451255 859564240 /nfs/dbraw/zinc/56/42/40/859564240.db2.gz GZLLSNYBOQEPEV-UHFFFAOYSA-N 2 2 383.521 3.745 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCN3CCc4ccccc43)CC2)cc1 ZINC000764749017 859590691 /nfs/dbraw/zinc/59/06/91/859590691.db2.gz AGNIVNXZPWYXLL-UHFFFAOYSA-N 2 2 378.564 3.764 20 0 GHADLP c1ccc([C@@H]2C[C@H]([NH2+]Cc3ccnc(-c4ccccn4)n3)CC[N@@H+]2C2CC2)cc1 ZINC000895609271 859714458 /nfs/dbraw/zinc/71/44/58/859714458.db2.gz JHIXDZHETHPPMM-XXBNENTESA-N 2 2 385.515 3.996 20 0 GHADLP c1ccc([C@@H]2C[C@H]([NH2+]Cc3ccnc(-c4ccccn4)n3)CC[N@H+]2C2CC2)cc1 ZINC000895609271 859714466 /nfs/dbraw/zinc/71/44/66/859714466.db2.gz JHIXDZHETHPPMM-XXBNENTESA-N 2 2 385.515 3.996 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000484083050 859792782 /nfs/dbraw/zinc/79/27/82/859792782.db2.gz MPGCHDDZQNBMQE-UHFFFAOYSA-N 2 2 388.515 3.917 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000484083050 859792788 /nfs/dbraw/zinc/79/27/88/859792788.db2.gz MPGCHDDZQNBMQE-UHFFFAOYSA-N 2 2 388.515 3.917 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3ncc4cc(OCc5ccccc5)ccc43)CC[C@H]21 ZINC000765107417 859793794 /nfs/dbraw/zinc/79/37/94/859793794.db2.gz SUZJVQFDAWBNAV-NZQKXSOJSA-N 2 2 390.531 3.989 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3ncc4cc(OCc5ccccc5)ccc43)CC[C@H]21 ZINC000765107417 859793806 /nfs/dbraw/zinc/79/38/06/859793806.db2.gz SUZJVQFDAWBNAV-NZQKXSOJSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3ncc4cc(OCc5ccccc5)ccc43)CC[C@H]21 ZINC000765107417 859793810 /nfs/dbraw/zinc/79/38/10/859793810.db2.gz SUZJVQFDAWBNAV-NZQKXSOJSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3ncc4cc(OCc5ccccc5)ccc43)CC[C@H]21 ZINC000765107417 859793819 /nfs/dbraw/zinc/79/38/19/859793819.db2.gz SUZJVQFDAWBNAV-NZQKXSOJSA-N 2 2 390.531 3.989 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[NH+]3CCC(C)([NH+]4CCC4)CC3)c2C)cc1 ZINC000895672064 859795462 /nfs/dbraw/zinc/79/54/62/859795462.db2.gz VJYVLBJQJZKXGH-UHFFFAOYSA-N 2 2 382.552 3.617 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000484151433 859838632 /nfs/dbraw/zinc/83/86/32/859838632.db2.gz GSRYGKVDKWRDHE-WWNPGLIZSA-N 2 2 392.543 3.906 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000484151433 859838640 /nfs/dbraw/zinc/83/86/40/859838640.db2.gz GSRYGKVDKWRDHE-WWNPGLIZSA-N 2 2 392.543 3.906 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(OC(F)F)c1 ZINC000484161354 859854636 /nfs/dbraw/zinc/85/46/36/859854636.db2.gz JHKFPHASCOONKO-KKSFZXQISA-N 2 2 376.447 3.576 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC(F)F)c1 ZINC000484161354 859854638 /nfs/dbraw/zinc/85/46/38/859854638.db2.gz JHKFPHASCOONKO-KKSFZXQISA-N 2 2 376.447 3.576 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(OC(F)F)c1 ZINC000484161352 859854975 /nfs/dbraw/zinc/85/49/75/859854975.db2.gz JHKFPHASCOONKO-IIBYNOLFSA-N 2 2 376.447 3.576 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC(F)F)c1 ZINC000484161352 859854987 /nfs/dbraw/zinc/85/49/87/859854987.db2.gz JHKFPHASCOONKO-IIBYNOLFSA-N 2 2 376.447 3.576 20 0 GHADLP COc1ccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1Cn1cccn1 ZINC000765251345 859866521 /nfs/dbraw/zinc/86/65/21/859866521.db2.gz OUZIKOMZHMTYFW-UTKZUKDTSA-N 2 2 381.524 3.902 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1scnc1C1CC1 ZINC000494981594 859871715 /nfs/dbraw/zinc/87/17/15/859871715.db2.gz UDEGQKRIXOPRKC-UHFFFAOYSA-N 3 2 376.614 3.649 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1scnc1C1CC1 ZINC000494981594 859871725 /nfs/dbraw/zinc/87/17/25/859871725.db2.gz UDEGQKRIXOPRKC-UHFFFAOYSA-N 3 2 376.614 3.649 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000765254203 859872507 /nfs/dbraw/zinc/87/25/07/859872507.db2.gz XPJWZXVHEKQLKI-CABCVRRESA-N 2 2 387.446 3.766 20 0 GHADLP Clc1ccc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c(-n2cncn2)c1 ZINC000474482495 860196685 /nfs/dbraw/zinc/19/66/85/860196685.db2.gz LJDOTRUDFCMHRD-NRFANRHFSA-N 2 2 381.911 3.847 20 0 GHADLP CN(C(=O)c1cccc2c1CCCC2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001127905667 860231590 /nfs/dbraw/zinc/23/15/90/860231590.db2.gz HLLNKYQVDQYMNF-ZEQRLZLVSA-N 2 2 397.607 3.975 20 0 GHADLP CN(C(=O)c1cccc2c1CCCC2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001127905667 860231600 /nfs/dbraw/zinc/23/16/00/860231600.db2.gz HLLNKYQVDQYMNF-ZEQRLZLVSA-N 2 2 397.607 3.975 20 0 GHADLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191835985 860367394 /nfs/dbraw/zinc/36/73/94/860367394.db2.gz SLAJFRDVHZRWMW-UGKGYDQZSA-N 2 2 398.547 3.516 20 0 GHADLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191835985 860367403 /nfs/dbraw/zinc/36/74/03/860367403.db2.gz SLAJFRDVHZRWMW-UGKGYDQZSA-N 2 2 398.547 3.516 20 0 GHADLP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000444789591 860432401 /nfs/dbraw/zinc/43/24/01/860432401.db2.gz FGWGTWSNRNWASJ-WIYYLYMNSA-N 2 2 382.552 3.675 20 0 GHADLP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000444789591 860432408 /nfs/dbraw/zinc/43/24/08/860432408.db2.gz FGWGTWSNRNWASJ-WIYYLYMNSA-N 2 2 382.552 3.675 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000509036947 860644326 /nfs/dbraw/zinc/64/43/26/860644326.db2.gz ZEQQNGVLYHDADP-OAQYLSRUSA-N 2 2 389.547 3.735 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000453375884 860683363 /nfs/dbraw/zinc/68/33/63/860683363.db2.gz PFYJHLYCUKLOLP-KQKOIIKASA-N 2 2 377.532 3.778 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000453375884 860683368 /nfs/dbraw/zinc/68/33/68/860683368.db2.gz PFYJHLYCUKLOLP-KQKOIIKASA-N 2 2 377.532 3.778 20 0 GHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474762526 860730848 /nfs/dbraw/zinc/73/08/48/860730848.db2.gz LDXACZHKSCLSLZ-RTWAWAEBSA-N 2 2 399.510 3.727 20 0 GHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474762526 860730855 /nfs/dbraw/zinc/73/08/55/860730855.db2.gz LDXACZHKSCLSLZ-RTWAWAEBSA-N 2 2 399.510 3.727 20 0 GHADLP OC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000603493612 860772612 /nfs/dbraw/zinc/77/26/12/860772612.db2.gz ZYALSIZWQYKROD-OAQYLSRUSA-N 2 2 385.870 3.883 20 0 GHADLP Cn1c2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)cc2oc1=O ZINC000509071798 860795520 /nfs/dbraw/zinc/79/55/20/860795520.db2.gz RBKZKUXYCBXOQI-NHCUHLMSSA-N 2 2 391.515 3.618 20 0 GHADLP Cn1c2ccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)cc2oc1=O ZINC000509071798 860795526 /nfs/dbraw/zinc/79/55/26/860795526.db2.gz RBKZKUXYCBXOQI-NHCUHLMSSA-N 2 2 391.515 3.618 20 0 GHADLP Cn1c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2oc1=O ZINC000509071798 860795531 /nfs/dbraw/zinc/79/55/31/860795531.db2.gz RBKZKUXYCBXOQI-NHCUHLMSSA-N 2 2 391.515 3.618 20 0 GHADLP Cn1c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)cc2oc1=O ZINC000509071798 860795537 /nfs/dbraw/zinc/79/55/37/860795537.db2.gz RBKZKUXYCBXOQI-NHCUHLMSSA-N 2 2 391.515 3.618 20 0 GHADLP CCOC(=O)C1(C)CCC(Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CC1 ZINC000474801883 860803794 /nfs/dbraw/zinc/80/37/94/860803794.db2.gz ZYLKFYBYBGGTJO-UHFFFAOYSA-N 2 2 388.556 3.536 20 0 GHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2([NH+](C)C)Cc3ccccc3C2)cc1OC ZINC000474801967 860803823 /nfs/dbraw/zinc/80/38/23/860803823.db2.gz UBZQTJOMLHLIIW-MSOLQXFVSA-N 2 2 382.548 3.885 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000179297494 861144417 /nfs/dbraw/zinc/14/44/17/861144417.db2.gz VCZIRNLDPZBQFS-CQSZACIVSA-N 2 2 388.313 3.566 20 0 GHADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2ccccc2c1 ZINC000177272236 861178682 /nfs/dbraw/zinc/17/86/82/861178682.db2.gz DERQXXNZGQORNC-IBGZPJMESA-N 2 2 388.515 3.624 20 0 GHADLP C[C@H](CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[NH+]1CCCCC1 ZINC000182707376 863335474 /nfs/dbraw/zinc/33/54/74/863335474.db2.gz OWWKSYZUGPBCBC-BVYCBKJFSA-N 2 2 395.551 3.675 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000482626770 863400185 /nfs/dbraw/zinc/40/01/85/863400185.db2.gz FNGQDFZNBLCXHV-PBHICJAKSA-N 2 2 375.513 3.545 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000482626770 863400198 /nfs/dbraw/zinc/40/01/98/863400198.db2.gz FNGQDFZNBLCXHV-PBHICJAKSA-N 2 2 375.513 3.545 20 0 GHADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000482633931 863406911 /nfs/dbraw/zinc/40/69/11/863406911.db2.gz YEMOYAXSJLFAHV-PBHICJAKSA-N 2 2 393.325 3.815 20 0 GHADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120656392 881657531 /nfs/dbraw/zinc/65/75/31/881657531.db2.gz HDPHCYBALGFFKY-AUSIDOKSSA-N 2 2 376.504 3.596 20 0 GHADLP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000522887421 863654189 /nfs/dbraw/zinc/65/41/89/863654189.db2.gz HEDVAOUORZMKOH-UHFFFAOYSA-N 2 2 392.528 3.982 20 0 GHADLP CC[C@@H](CNC(=O)Nc1ccc2[nH+]c(C)cn2c1)[N@@H+]1CCc2ccccc2C1 ZINC000606569683 863711712 /nfs/dbraw/zinc/71/17/12/863711712.db2.gz OBDRYZYKCMQJTH-FQEVSTJZSA-N 2 2 377.492 3.601 20 0 GHADLP CC[C@@H](CNC(=O)Nc1ccc2[nH+]c(C)cn2c1)[N@H+]1CCc2ccccc2C1 ZINC000606569683 863711719 /nfs/dbraw/zinc/71/17/19/863711719.db2.gz OBDRYZYKCMQJTH-FQEVSTJZSA-N 2 2 377.492 3.601 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000606569749 863713172 /nfs/dbraw/zinc/71/31/72/863713172.db2.gz VAOAAVDYTRJLTP-IBGZPJMESA-N 2 2 377.492 3.676 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000606569749 863713177 /nfs/dbraw/zinc/71/31/77/863713177.db2.gz VAOAAVDYTRJLTP-IBGZPJMESA-N 2 2 377.492 3.676 20 0 GHADLP CC1CC[NH+]([C@@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)c2cccs2)CC1 ZINC000606582069 863732069 /nfs/dbraw/zinc/73/20/69/863732069.db2.gz CAQMWUCTKMDVCN-KRWDZBQOSA-N 2 2 383.521 3.991 20 0 GHADLP CC[N@H+](Cc1nc(C)ccc1O)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000537629688 881697031 /nfs/dbraw/zinc/69/70/31/881697031.db2.gz VLYGMVNNLRELPO-UHFFFAOYSA-N 2 2 383.540 3.808 20 0 GHADLP CC[N@@H+](Cc1nc(C)ccc1O)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000537629688 881697033 /nfs/dbraw/zinc/69/70/33/881697033.db2.gz VLYGMVNNLRELPO-UHFFFAOYSA-N 2 2 383.540 3.808 20 0 GHADLP CC(C)[N@H+](C)CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000103448593 863988937 /nfs/dbraw/zinc/98/89/37/863988937.db2.gz CACMEAKAJKHKJP-UHFFFAOYSA-N 2 2 376.504 3.555 20 0 GHADLP CC(C)[N@@H+](C)CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000103448593 863988950 /nfs/dbraw/zinc/98/89/50/863988950.db2.gz CACMEAKAJKHKJP-UHFFFAOYSA-N 2 2 376.504 3.555 20 0 GHADLP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]3CCC(C)CC3)cs2)cs1 ZINC000158926014 863990827 /nfs/dbraw/zinc/99/08/27/863990827.db2.gz YHGHXNITLKMFGR-RHSMWYFYSA-N 2 2 379.595 3.923 20 0 GHADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158947536 863995163 /nfs/dbraw/zinc/99/51/63/863995163.db2.gz VBGSRDMKQVAJGE-FXAWDEMLSA-N 2 2 387.593 3.786 20 0 GHADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158947390 863995648 /nfs/dbraw/zinc/99/56/48/863995648.db2.gz VBGSRDMKQVAJGE-YLJYHZDGSA-N 2 2 387.593 3.786 20 0 GHADLP Cc1cc(C)nc(N2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001168055289 864005154 /nfs/dbraw/zinc/00/51/54/864005154.db2.gz USNNZTIYMZGYKQ-IUTQVRIDSA-N 2 2 393.579 3.657 20 0 GHADLP Cc1cc(C)nc(N2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001168055289 864005166 /nfs/dbraw/zinc/00/51/66/864005166.db2.gz USNNZTIYMZGYKQ-IUTQVRIDSA-N 2 2 393.579 3.657 20 0 GHADLP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(Br)cn1 ZINC000621277505 864015934 /nfs/dbraw/zinc/01/59/34/864015934.db2.gz LZCFRKDSJHHYTN-ZIAGYGMSSA-N 2 2 382.346 3.595 20 0 GHADLP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(Br)cn1 ZINC000621277505 864015950 /nfs/dbraw/zinc/01/59/50/864015950.db2.gz LZCFRKDSJHHYTN-ZIAGYGMSSA-N 2 2 382.346 3.595 20 0 GHADLP CN(c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1)C1CC[NH+](C)CC1 ZINC000131059714 864195211 /nfs/dbraw/zinc/19/52/11/864195211.db2.gz GNZDLSJCZYIAOT-UHFFFAOYSA-N 2 2 389.503 3.655 20 0 GHADLP [NH3+]Cc1ccc(Nc2ncc(F)c(=Nc3ccccc3)n2-c2cc[nH+]cc2)cc1 ZINC001168056437 864215266 /nfs/dbraw/zinc/21/52/66/864215266.db2.gz CWDKQEJVWUAIDH-UHFFFAOYSA-N 2 2 386.434 3.841 20 0 GHADLP CCO[C@@H]1C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)[C@H]1Oc1ccccc1 ZINC000480243236 864306903 /nfs/dbraw/zinc/30/69/03/864306903.db2.gz SAHARGMXSUMJGF-WMTXJRDZSA-N 2 2 391.515 3.689 20 0 GHADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)[C@@H]1Oc1ccccc1 ZINC000480230741 864314320 /nfs/dbraw/zinc/31/43/20/864314320.db2.gz RMBOOIPFLDDSEB-ZLNRFVROSA-N 2 2 377.488 3.646 20 0 GHADLP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000607366293 864348710 /nfs/dbraw/zinc/34/87/10/864348710.db2.gz GOPXWLDCQLNYHE-HXUWFJFHSA-N 2 2 395.330 3.729 20 0 GHADLP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366293 864348722 /nfs/dbraw/zinc/34/87/22/864348722.db2.gz GOPXWLDCQLNYHE-HXUWFJFHSA-N 2 2 395.330 3.729 20 0 GHADLP Cc1ccc(-c2ncc(C[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)s2)cc1 ZINC000607366303 864349088 /nfs/dbraw/zinc/34/90/88/864349088.db2.gz HFWAVXAIFHHMHB-QHCPKHFHSA-N 2 2 393.556 3.845 20 0 GHADLP Cc1ccc(-c2ncc(C[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)s2)cc1 ZINC000607366303 864349105 /nfs/dbraw/zinc/34/91/05/864349105.db2.gz HFWAVXAIFHHMHB-QHCPKHFHSA-N 2 2 393.556 3.845 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccccc2OC2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366625 864353303 /nfs/dbraw/zinc/35/33/03/864353303.db2.gz PWVFFOKTCYLEDR-DEOSSOPVSA-N 2 2 380.532 3.735 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccccc2OC2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366625 864353313 /nfs/dbraw/zinc/35/33/13/864353313.db2.gz PWVFFOKTCYLEDR-DEOSSOPVSA-N 2 2 380.532 3.735 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[NH+]1CCc2ccccc2C1 ZINC000480275630 864385775 /nfs/dbraw/zinc/38/57/75/864385775.db2.gz DTBWKAWLQKGMMN-BWKNWUBXSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[NH+]1CCc2ccccc2C1 ZINC000480275630 864385791 /nfs/dbraw/zinc/38/57/91/864385791.db2.gz DTBWKAWLQKGMMN-BWKNWUBXSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000480275630 864385805 /nfs/dbraw/zinc/38/58/05/864385805.db2.gz DTBWKAWLQKGMMN-BWKNWUBXSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000480275630 864385823 /nfs/dbraw/zinc/38/58/23/864385823.db2.gz DTBWKAWLQKGMMN-BWKNWUBXSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000159235196 864433149 /nfs/dbraw/zinc/43/31/49/864433149.db2.gz BHFFCFPWNDEAQH-SFHVURJKSA-N 2 2 399.539 3.594 20 0 GHADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000159235196 864433154 /nfs/dbraw/zinc/43/31/54/864433154.db2.gz BHFFCFPWNDEAQH-SFHVURJKSA-N 2 2 399.539 3.594 20 0 GHADLP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000508472760 864501410 /nfs/dbraw/zinc/50/14/10/864501410.db2.gz ZPDXRDBGYMZPAE-UHFFFAOYSA-N 2 2 380.536 3.844 20 0 GHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000508472760 864501416 /nfs/dbraw/zinc/50/14/16/864501416.db2.gz ZPDXRDBGYMZPAE-UHFFFAOYSA-N 2 2 380.536 3.844 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1OC(F)F ZINC000163712521 864556303 /nfs/dbraw/zinc/55/63/03/864556303.db2.gz QJSPKGPAWQAURO-INIZCTEOSA-N 2 2 376.447 3.971 20 0 GHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000163788770 864565588 /nfs/dbraw/zinc/56/55/88/864565588.db2.gz HWNGNDSQRKUQPG-RDPSFJRHSA-N 3 2 380.580 3.924 20 0 GHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000163788770 864565600 /nfs/dbraw/zinc/56/56/00/864565600.db2.gz HWNGNDSQRKUQPG-RDPSFJRHSA-N 3 2 380.580 3.924 20 0 GHADLP COc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC(F)F ZINC000475332113 864796541 /nfs/dbraw/zinc/79/65/41/864796541.db2.gz FZYQMDPJPQSMTL-KDURUIRLSA-N 2 2 388.458 3.860 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC(F)F ZINC000475332113 864796547 /nfs/dbraw/zinc/79/65/47/864796547.db2.gz FZYQMDPJPQSMTL-KDURUIRLSA-N 2 2 388.458 3.860 20 0 GHADLP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1OC(F)F ZINC000475332113 864796550 /nfs/dbraw/zinc/79/65/50/864796550.db2.gz FZYQMDPJPQSMTL-KDURUIRLSA-N 2 2 388.458 3.860 20 0 GHADLP COc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1OC(F)F ZINC000475332113 864796554 /nfs/dbraw/zinc/79/65/54/864796554.db2.gz FZYQMDPJPQSMTL-KDURUIRLSA-N 2 2 388.458 3.860 20 0 GHADLP CCOC(=O)C1(C)CCC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000475338192 864813582 /nfs/dbraw/zinc/81/35/82/864813582.db2.gz MUOKFMLJWWTGAK-UHFFFAOYSA-N 2 2 390.490 3.893 20 0 GHADLP CN(C(=O)CC(C)(C)C(F)(F)F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000480582986 864908937 /nfs/dbraw/zinc/90/89/37/864908937.db2.gz QAEQCWQZDSLZCU-DLBZAZTESA-N 2 2 391.522 3.761 20 0 GHADLP CN(C(=O)CC(C)(C)C(F)(F)F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000480582986 864908948 /nfs/dbraw/zinc/90/89/48/864908948.db2.gz QAEQCWQZDSLZCU-DLBZAZTESA-N 2 2 391.522 3.761 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000667707319 864946716 /nfs/dbraw/zinc/94/67/16/864946716.db2.gz WNFICHTWBAQDHZ-HMXCVIKNSA-N 2 2 385.483 3.697 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000667707319 864946725 /nfs/dbraw/zinc/94/67/25/864946725.db2.gz WNFICHTWBAQDHZ-HMXCVIKNSA-N 2 2 385.483 3.697 20 0 GHADLP CCc1nc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cs1 ZINC000608060613 864952423 /nfs/dbraw/zinc/95/24/23/864952423.db2.gz QYNWZFVCFLJTGQ-UHFFFAOYSA-N 2 2 398.498 3.766 20 0 GHADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)N1CCN(c2ccccc2)CC1 ZINC000480617009 864953812 /nfs/dbraw/zinc/95/38/12/864953812.db2.gz NJOXGBLXXXNABH-RTWAWAEBSA-N 2 2 389.547 3.734 20 0 GHADLP COc1cccnc1N1CC[NH+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168064203 864975159 /nfs/dbraw/zinc/97/51/59/864975159.db2.gz OWRJFRFVHXAOLL-WOJBJXKFSA-N 2 2 394.563 3.654 20 0 GHADLP Cc1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(OC(F)F)cc1C ZINC000608058095 864981601 /nfs/dbraw/zinc/98/16/01/864981601.db2.gz RADBEWBQSLOJKZ-JOCHJYFZSA-N 2 2 390.474 3.631 20 0 GHADLP Cc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(OC(F)F)cc1C ZINC000608058095 864981609 /nfs/dbraw/zinc/98/16/09/864981609.db2.gz RADBEWBQSLOJKZ-JOCHJYFZSA-N 2 2 390.474 3.631 20 0 GHADLP CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000554840164 865029811 /nfs/dbraw/zinc/02/98/11/865029811.db2.gz QPWAOGCHIZSDJL-GOSISDBHSA-N 2 2 399.501 3.676 20 0 GHADLP CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554840164 865029820 /nfs/dbraw/zinc/02/98/20/865029820.db2.gz QPWAOGCHIZSDJL-GOSISDBHSA-N 2 2 399.501 3.676 20 0 GHADLP CCc1ccc(-c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)o2)cc1 ZINC000608133354 865047879 /nfs/dbraw/zinc/04/78/79/865047879.db2.gz RWYYPPFDHHXVIQ-OAQYLSRUSA-N 2 2 395.547 3.750 20 0 GHADLP CCc1ccc(-c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)o2)cc1 ZINC000608133354 865047883 /nfs/dbraw/zinc/04/78/83/865047883.db2.gz RWYYPPFDHHXVIQ-OAQYLSRUSA-N 2 2 395.547 3.750 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655715251 865055523 /nfs/dbraw/zinc/05/55/23/865055523.db2.gz HZWSZJXGCNRSPI-XMMPIXPASA-N 3 2 397.563 3.645 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655715251 865055542 /nfs/dbraw/zinc/05/55/42/865055542.db2.gz HZWSZJXGCNRSPI-XMMPIXPASA-N 3 2 397.563 3.645 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655715251 865055559 /nfs/dbraw/zinc/05/55/59/865055559.db2.gz HZWSZJXGCNRSPI-XMMPIXPASA-N 2 2 397.563 3.645 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655715251 865055579 /nfs/dbraw/zinc/05/55/79/865055579.db2.gz HZWSZJXGCNRSPI-XMMPIXPASA-N 2 2 397.563 3.645 20 0 GHADLP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000554859747 865055578 /nfs/dbraw/zinc/05/55/78/865055578.db2.gz UUWFEZYLIDVUKV-AJSBUHFISA-N 2 2 396.579 3.560 20 0 GHADLP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000554859747 865055592 /nfs/dbraw/zinc/05/55/92/865055592.db2.gz UUWFEZYLIDVUKV-AJSBUHFISA-N 2 2 396.579 3.560 20 0 GHADLP FC(F)(F)Cn1cc(C[NH2+][C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cn1 ZINC000554888627 865091304 /nfs/dbraw/zinc/09/13/04/865091304.db2.gz QVQXRZCXECFULZ-MSOLQXFVSA-N 2 2 375.398 3.660 20 0 GHADLP CC[N@@H+]1CCCN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)CC1 ZINC000301159393 865197480 /nfs/dbraw/zinc/19/74/80/865197480.db2.gz BKUDBHJMIDIDTN-UHFFFAOYSA-N 2 2 395.576 3.952 20 0 GHADLP CC[N@H+]1CCCN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)CC1 ZINC000301159393 865197488 /nfs/dbraw/zinc/19/74/88/865197488.db2.gz BKUDBHJMIDIDTN-UHFFFAOYSA-N 2 2 395.576 3.952 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608407882 865289894 /nfs/dbraw/zinc/28/98/94/865289894.db2.gz FSVVOBCEDOWACD-FPOVZHCZSA-N 2 2 397.567 3.658 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608407882 865289904 /nfs/dbraw/zinc/28/99/04/865289904.db2.gz FSVVOBCEDOWACD-FPOVZHCZSA-N 2 2 397.567 3.658 20 0 GHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000554982414 865297548 /nfs/dbraw/zinc/29/75/48/865297548.db2.gz LOOVJRAEMVRJCV-LJQANCHMSA-N 2 2 399.498 3.918 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4c(cccc4Cl)s3)CC2)CC1 ZINC000622793172 865373066 /nfs/dbraw/zinc/37/30/66/865373066.db2.gz UFJSXCPVTOPQQM-UHFFFAOYSA-N 2 2 391.968 3.843 20 0 GHADLP Cc1cc2ccccc2[nH+]c1NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000301712965 865505409 /nfs/dbraw/zinc/50/54/09/865505409.db2.gz IOVKCKFSUHCCFE-NRFANRHFSA-N 2 2 388.515 3.853 20 0 GHADLP Cc1cc2ccccc2[nH+]c1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000301712965 865505415 /nfs/dbraw/zinc/50/54/15/865505415.db2.gz IOVKCKFSUHCCFE-NRFANRHFSA-N 2 2 388.515 3.853 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1C ZINC000172232659 865532835 /nfs/dbraw/zinc/53/28/35/865532835.db2.gz HARVPJUSDXNAIF-FQEVSTJZSA-N 2 2 396.535 3.513 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1C ZINC000172232659 865532841 /nfs/dbraw/zinc/53/28/41/865532841.db2.gz HARVPJUSDXNAIF-FQEVSTJZSA-N 2 2 396.535 3.513 20 0 GHADLP O[C@H](C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1Cl)C[NH+]1CCCC1 ZINC000481035236 865725310 /nfs/dbraw/zinc/72/53/10/865725310.db2.gz JEWABBCDGFDVOI-WIYYLYMNSA-N 2 2 376.903 3.809 20 0 GHADLP CSc1cccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481181301 865939687 /nfs/dbraw/zinc/93/96/87/865939687.db2.gz YWIKICOFMNOWAP-UWJYYQICSA-N 2 2 383.561 3.847 20 0 GHADLP CSc1cccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481181301 865939693 /nfs/dbraw/zinc/93/96/93/865939693.db2.gz YWIKICOFMNOWAP-UWJYYQICSA-N 2 2 383.561 3.847 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(C)Cc1cccc(F)c1 ZINC000481184540 865947591 /nfs/dbraw/zinc/94/75/91/865947591.db2.gz CWWKMAIUPIRJEA-YDHSSHFGSA-N 2 2 397.538 3.673 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(C)Cc1cccc(F)c1 ZINC000481184540 865947606 /nfs/dbraw/zinc/94/76/06/865947606.db2.gz CWWKMAIUPIRJEA-YDHSSHFGSA-N 2 2 397.538 3.673 20 0 GHADLP C[N@@H+]1CCC[C@H](CNc2cc(N3CCSCC3)[nH+]cn2)[C@H]1c1cccs1 ZINC000302872760 865966922 /nfs/dbraw/zinc/96/69/22/865966922.db2.gz CEVPXWSMTVWSKO-BEFAXECRSA-N 2 2 389.594 3.586 20 0 GHADLP C[N@H+]1CCC[C@H](CNc2cc(N3CCSCC3)[nH+]cn2)[C@H]1c1cccs1 ZINC000302872760 865966930 /nfs/dbraw/zinc/96/69/30/865966930.db2.gz CEVPXWSMTVWSKO-BEFAXECRSA-N 2 2 389.594 3.586 20 0 GHADLP C[N@@H+]1CCC[C@H](CNc2cc(N3CCSCC3)nc[nH+]2)[C@H]1c1cccs1 ZINC000302872760 865966945 /nfs/dbraw/zinc/96/69/45/865966945.db2.gz CEVPXWSMTVWSKO-BEFAXECRSA-N 2 2 389.594 3.586 20 0 GHADLP C[N@H+]1CCC[C@H](CNc2cc(N3CCSCC3)nc[nH+]2)[C@H]1c1cccs1 ZINC000302872760 865966959 /nfs/dbraw/zinc/96/69/59/865966959.db2.gz CEVPXWSMTVWSKO-BEFAXECRSA-N 2 2 389.594 3.586 20 0 GHADLP Clc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000623123599 866033000 /nfs/dbraw/zinc/03/30/00/866033000.db2.gz JEYUADXIPHCXPL-HXUWFJFHSA-N 2 2 398.982 3.812 20 0 GHADLP Clc1ccccc1CC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000623123599 866033016 /nfs/dbraw/zinc/03/30/16/866033016.db2.gz JEYUADXIPHCXPL-HXUWFJFHSA-N 2 2 398.982 3.812 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000067507203 866113045 /nfs/dbraw/zinc/11/30/45/866113045.db2.gz GBNAHRBMAFXBGZ-QGZVFWFLSA-N 2 2 378.923 3.852 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000067507203 866113047 /nfs/dbraw/zinc/11/30/47/866113047.db2.gz GBNAHRBMAFXBGZ-QGZVFWFLSA-N 2 2 378.923 3.852 20 0 GHADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000534111246 866137461 /nfs/dbraw/zinc/13/74/61/866137461.db2.gz WPGPLNDBZYQDGX-SFHVURJKSA-N 2 2 389.503 3.556 20 0 GHADLP CCOc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc(Br)c1OC ZINC000475567923 866327427 /nfs/dbraw/zinc/32/74/27/866327427.db2.gz UFOPVZFADWRIAI-UHFFFAOYSA-N 2 2 397.357 3.963 20 0 GHADLP FC(F)(F)c1ccc(Cn2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)cn2)cc1 ZINC000494576533 881965847 /nfs/dbraw/zinc/96/58/47/881965847.db2.gz XCLVJDDJROKWPJ-UHFFFAOYSA-N 2 2 378.442 3.667 20 0 GHADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000553092517 866761384 /nfs/dbraw/zinc/76/13/84/866761384.db2.gz HIAWDQYLNKNEID-AZUAARDMSA-N 2 2 382.552 3.949 20 0 GHADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000553092517 866761389 /nfs/dbraw/zinc/76/13/89/866761389.db2.gz HIAWDQYLNKNEID-AZUAARDMSA-N 2 2 382.552 3.949 20 0 GHADLP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000523340631 867129754 /nfs/dbraw/zinc/12/97/54/867129754.db2.gz RVJWSIIBCTYING-UHFFFAOYSA-N 2 2 382.895 3.730 20 0 GHADLP CCn1ccnc1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000523390359 867219578 /nfs/dbraw/zinc/21/95/78/867219578.db2.gz CMQGNBSIOBLADG-UHFFFAOYSA-N 2 2 389.547 3.515 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cccc4c3OCCCO4)CC2)cc1 ZINC000742378572 867272788 /nfs/dbraw/zinc/27/27/88/867272788.db2.gz VAIATWFQTOWHQE-UHFFFAOYSA-N 2 2 381.520 3.673 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2Cl)[C@H](C)C1 ZINC000190003848 882067237 /nfs/dbraw/zinc/06/72/37/882067237.db2.gz ZIZAMRJKCDNIIT-AOIWGVFYSA-N 2 2 395.975 3.702 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2Cl)[C@H](C)C1 ZINC000190003848 882067254 /nfs/dbraw/zinc/06/72/54/882067254.db2.gz ZIZAMRJKCDNIIT-AOIWGVFYSA-N 2 2 395.975 3.702 20 0 GHADLP CCC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000154352980 867366980 /nfs/dbraw/zinc/36/69/80/867366980.db2.gz ZRYWUOCDHXEVLB-HSZRJFAPSA-N 2 2 398.595 3.858 20 0 GHADLP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000475618600 867539154 /nfs/dbraw/zinc/53/91/54/867539154.db2.gz CERXDKOYRUOLIO-UHFFFAOYSA-N 2 2 378.451 3.614 20 0 GHADLP C[NH+](C)[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccs1 ZINC000155065268 867735387 /nfs/dbraw/zinc/73/53/87/867735387.db2.gz KKVZPCSRYOHWFC-HXUWFJFHSA-N 2 2 375.557 3.787 20 0 GHADLP CN(C)[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccs1 ZINC000155065268 867735403 /nfs/dbraw/zinc/73/54/03/867735403.db2.gz KKVZPCSRYOHWFC-HXUWFJFHSA-N 2 2 375.557 3.787 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000155368453 867885662 /nfs/dbraw/zinc/88/56/62/867885662.db2.gz PQLUZQSVAGGDIC-SJORKVTESA-N 2 2 384.351 3.513 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000155368453 867885673 /nfs/dbraw/zinc/88/56/73/867885673.db2.gz PQLUZQSVAGGDIC-SJORKVTESA-N 2 2 384.351 3.513 20 0 GHADLP O=C(C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1F)Nc1ccccc1F ZINC000479687000 868335231 /nfs/dbraw/zinc/33/52/31/868335231.db2.gz MJWRMZITHKYCNC-UHFFFAOYSA-N 2 2 387.474 3.795 20 0 GHADLP O=C(C[N@H+](CCC1CC[NH2+]CC1)Cc1ccccc1F)Nc1ccccc1F ZINC000479687000 868335244 /nfs/dbraw/zinc/33/52/44/868335244.db2.gz MJWRMZITHKYCNC-UHFFFAOYSA-N 2 2 387.474 3.795 20 0 GHADLP Cc1ccc(N2CC[C@H]([N@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)C2=O)cc1 ZINC000744427143 868829433 /nfs/dbraw/zinc/82/94/33/868829433.db2.gz ZSUFDDAUQNIXEK-GGAORHGYSA-N 2 2 377.532 3.554 20 0 GHADLP Cc1ccc(N2CC[C@H]([N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)C2=O)cc1 ZINC000744427143 868829440 /nfs/dbraw/zinc/82/94/40/868829440.db2.gz ZSUFDDAUQNIXEK-GGAORHGYSA-N 2 2 377.532 3.554 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000744427143 868829455 /nfs/dbraw/zinc/82/94/55/868829455.db2.gz ZSUFDDAUQNIXEK-GGAORHGYSA-N 2 2 377.532 3.554 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000744427143 868829472 /nfs/dbraw/zinc/82/94/72/868829472.db2.gz ZSUFDDAUQNIXEK-GGAORHGYSA-N 2 2 377.532 3.554 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000524474466 869133133 /nfs/dbraw/zinc/13/31/33/869133133.db2.gz UONYHOWKHUUYQU-RTWAWAEBSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000524474466 869133142 /nfs/dbraw/zinc/13/31/42/869133142.db2.gz UONYHOWKHUUYQU-RTWAWAEBSA-N 2 2 385.939 3.724 20 0 GHADLP COc1cc(C)c([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1OC ZINC000539660593 869546962 /nfs/dbraw/zinc/54/69/62/869546962.db2.gz ZQLJBGIXRQZLMQ-WMZOPIPTSA-N 2 2 384.524 3.721 20 0 GHADLP C[C@H]([NH2+]Cc1nccn1-c1ccccc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000190958312 882320848 /nfs/dbraw/zinc/32/08/48/882320848.db2.gz SKNWDIUDOCDWNM-SFHVURJKSA-N 2 2 393.510 3.614 20 0 GHADLP Cc1cccnc1[C@H]([NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C(C)C ZINC000121934805 882323078 /nfs/dbraw/zinc/32/30/78/882323078.db2.gz WWZXFMNLGLQHIT-NFBKMPQASA-N 2 2 394.563 3.582 20 0 GHADLP CC[NH+]1CCC([NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000475641811 869734124 /nfs/dbraw/zinc/73/41/24/869734124.db2.gz UMXJYPGGVXFCOW-HNNXBMFYSA-N 2 2 395.263 3.575 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC[N@H+](Cc2ccccc2)C1 ZINC000524945235 869826582 /nfs/dbraw/zinc/82/65/82/869826582.db2.gz QLCUWWGNZRVJCP-QHCPKHFHSA-N 2 2 380.463 3.812 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000524945235 869826596 /nfs/dbraw/zinc/82/65/96/869826596.db2.gz QLCUWWGNZRVJCP-QHCPKHFHSA-N 2 2 380.463 3.812 20 0 GHADLP Cc1ccn2c(C[NH2+]CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cnc2c1 ZINC000462740545 869998323 /nfs/dbraw/zinc/99/83/23/869998323.db2.gz BQRTURDUEMUGEW-UHFFFAOYSA-N 2 2 397.954 3.598 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000248516354 870468357 /nfs/dbraw/zinc/46/83/57/870468357.db2.gz OUBKFRYDJNPYIP-IZZBFERCSA-N 2 2 378.582 3.542 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc3ccccc3n2C(F)F)[C@@H](C)C1 ZINC000248955555 870700752 /nfs/dbraw/zinc/70/07/52/870700752.db2.gz FTZJYTDHCPWKCQ-HOTGVXAUSA-N 2 2 380.483 3.658 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc3ccccc3n2C(F)F)[C@@H](C)C1 ZINC000248955555 870700760 /nfs/dbraw/zinc/70/07/60/870700760.db2.gz FTZJYTDHCPWKCQ-HOTGVXAUSA-N 2 2 380.483 3.658 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000746453350 870740246 /nfs/dbraw/zinc/74/02/46/870740246.db2.gz IIUUEQLPTBPHEM-QZTJIDSGSA-N 2 2 381.524 3.607 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000746453350 870740258 /nfs/dbraw/zinc/74/02/58/870740258.db2.gz IIUUEQLPTBPHEM-QZTJIDSGSA-N 2 2 381.524 3.607 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H](c3ncc[nH]3)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000249171759 870779592 /nfs/dbraw/zinc/77/95/92/870779592.db2.gz BVJCWMNWOXXOEX-DNVFCKCGSA-N 2 2 390.531 3.898 20 0 GHADLP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC000463116163 870952210 /nfs/dbraw/zinc/95/22/10/870952210.db2.gz OMVDHSVKADWAOG-VWLOTQADSA-N 3 2 391.603 3.848 20 0 GHADLP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC000463116163 870952218 /nfs/dbraw/zinc/95/22/18/870952218.db2.gz OMVDHSVKADWAOG-VWLOTQADSA-N 3 2 391.603 3.848 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000463132960 870979148 /nfs/dbraw/zinc/97/91/48/870979148.db2.gz TVMGJMBXLYVQNZ-KJXAQDMKSA-N 2 2 377.532 3.825 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000463132960 870979151 /nfs/dbraw/zinc/97/91/51/870979151.db2.gz TVMGJMBXLYVQNZ-KJXAQDMKSA-N 2 2 377.532 3.825 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H](CN2CCOCC2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463148009 871016502 /nfs/dbraw/zinc/01/65/02/871016502.db2.gz WKQPGSACYUAGSY-SDUSCBPUSA-N 2 2 393.575 3.703 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H](CN2CCOCC2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463148009 871016518 /nfs/dbraw/zinc/01/65/18/871016518.db2.gz WKQPGSACYUAGSY-SDUSCBPUSA-N 2 2 393.575 3.703 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000463200594 871169907 /nfs/dbraw/zinc/16/99/07/871169907.db2.gz BZHPWZHVLDUNAS-JLLPCOHGSA-N 2 2 386.580 3.683 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000463200594 871169918 /nfs/dbraw/zinc/16/99/18/871169918.db2.gz BZHPWZHVLDUNAS-JLLPCOHGSA-N 2 2 386.580 3.683 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000463200594 871169931 /nfs/dbraw/zinc/16/99/31/871169931.db2.gz BZHPWZHVLDUNAS-JLLPCOHGSA-N 2 2 386.580 3.683 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000463200594 871169938 /nfs/dbraw/zinc/16/99/38/871169938.db2.gz BZHPWZHVLDUNAS-JLLPCOHGSA-N 2 2 386.580 3.683 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cncn1Cc1ccc(C(F)(F)F)cc1)C2 ZINC001169119375 871210085 /nfs/dbraw/zinc/21/00/85/871210085.db2.gz SBCAYCZWMZYDOW-BCDXTJNWSA-N 2 2 378.442 3.665 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cncn1Cc1ccc(C(F)(F)F)cc1)C2 ZINC001169119375 871210105 /nfs/dbraw/zinc/21/01/05/871210105.db2.gz SBCAYCZWMZYDOW-BCDXTJNWSA-N 2 2 378.442 3.665 20 0 GHADLP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+]([C@H]2C[C@H]4CC[C@@H](C2)[NH+]4C)CC3)c1 ZINC001169138793 871228637 /nfs/dbraw/zinc/22/86/37/871228637.db2.gz JCYMVCYPOQTUGS-ZBYYUNFXSA-N 3 2 383.580 3.608 20 0 GHADLP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2C[C@H]4CC[C@@H](C2)[NH+]4C)CC3)c1 ZINC001169138793 871228662 /nfs/dbraw/zinc/22/86/62/871228662.db2.gz JCYMVCYPOQTUGS-ZBYYUNFXSA-N 3 2 383.580 3.608 20 0 GHADLP COc1cccc(C[NH+]2CCC3(C2)CC[NH+]([C@H]2C[C@H]4CC[C@@H](C2)[N@H+]4C)CC3)c1 ZINC001169138793 871228678 /nfs/dbraw/zinc/22/86/78/871228678.db2.gz JCYMVCYPOQTUGS-ZBYYUNFXSA-N 3 2 383.580 3.608 20 0 GHADLP COc1cccc(C[NH+]2CCC3(C2)CC[NH+]([C@H]2C[C@H]4CC[C@@H](C2)[N@@H+]4C)CC3)c1 ZINC001169138793 871228711 /nfs/dbraw/zinc/22/87/11/871228711.db2.gz JCYMVCYPOQTUGS-ZBYYUNFXSA-N 3 2 383.580 3.608 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)n2C ZINC000463283097 871327921 /nfs/dbraw/zinc/32/79/21/871327921.db2.gz OIVGUPSUYOSMRZ-HKUYNNGSSA-N 2 2 378.520 3.725 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)n2C ZINC000463283097 871327942 /nfs/dbraw/zinc/32/79/42/871327942.db2.gz OIVGUPSUYOSMRZ-HKUYNNGSSA-N 2 2 378.520 3.725 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3cn(C)nc3-c3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000540507007 871445702 /nfs/dbraw/zinc/44/57/02/871445702.db2.gz IKYADDKVYNLKPD-UHFFFAOYSA-N 2 2 390.535 3.631 20 0 GHADLP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000462004526 871454314 /nfs/dbraw/zinc/45/43/14/871454314.db2.gz DJDKWTXBSXMPDP-DEOSSOPVSA-N 2 2 391.559 3.776 20 0 GHADLP CCCC[C@H]([NH2+]C1CC[NH+](CC)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000462026841 871507814 /nfs/dbraw/zinc/50/78/14/871507814.db2.gz JWZNSAQOCWJPBS-QFIPXVFZSA-N 2 2 386.584 3.858 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000462174107 871766119 /nfs/dbraw/zinc/76/61/19/871766119.db2.gz FVIWLAFGIHLRSY-WMZOPIPTSA-N 2 2 380.602 3.503 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC2CC([NH+]3CCCCC3)C2)c(C)c1 ZINC000525984944 871862705 /nfs/dbraw/zinc/86/27/05/871862705.db2.gz DTKNYXKAEYHVHE-AOMIVXANSA-N 2 2 395.551 3.557 20 0 GHADLP CC(C)[C@@H](CO)[C@H]([NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)C(C)C ZINC001170442787 882570862 /nfs/dbraw/zinc/57/08/62/882570862.db2.gz ITHIJHBPTXLYGG-FGZHOGPDSA-N 2 2 396.019 3.731 20 0 GHADLP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(OC)c1OC ZINC000093336795 872092448 /nfs/dbraw/zinc/09/24/48/872092448.db2.gz UIYDDXNTRJZSIX-IBGZPJMESA-N 2 2 384.520 3.666 20 0 GHADLP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(OC)c1OC ZINC000093336795 872092469 /nfs/dbraw/zinc/09/24/69/872092469.db2.gz UIYDDXNTRJZSIX-IBGZPJMESA-N 2 2 384.520 3.666 20 0 GHADLP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000093336795 872092490 /nfs/dbraw/zinc/09/24/90/872092490.db2.gz UIYDDXNTRJZSIX-IBGZPJMESA-N 2 2 384.520 3.666 20 0 GHADLP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000093336795 872092509 /nfs/dbraw/zinc/09/25/09/872092509.db2.gz UIYDDXNTRJZSIX-IBGZPJMESA-N 2 2 384.520 3.666 20 0 GHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc2c(c1)CCC(=O)N2 ZINC000540787704 872173218 /nfs/dbraw/zinc/17/32/18/872173218.db2.gz ULBIRGWFPCFUIZ-INIZCTEOSA-N 2 2 393.535 3.670 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000447724219 872215988 /nfs/dbraw/zinc/21/59/88/872215988.db2.gz UTDYWEWCECVUIZ-FQEVSTJZSA-N 2 2 383.536 3.833 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000447724219 872216003 /nfs/dbraw/zinc/21/60/03/872216003.db2.gz UTDYWEWCECVUIZ-FQEVSTJZSA-N 2 2 383.536 3.833 20 0 GHADLP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3)C2)[C@@H]2CCC[C@@H]21 ZINC000552248337 872266427 /nfs/dbraw/zinc/26/64/27/872266427.db2.gz DBCZTOIWWDMORG-FYQPLNBISA-N 2 2 381.486 3.742 20 0 GHADLP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3)C2)[C@@H]2CCC[C@@H]21 ZINC000552248337 872266441 /nfs/dbraw/zinc/26/64/41/872266441.db2.gz DBCZTOIWWDMORG-FYQPLNBISA-N 2 2 381.486 3.742 20 0 GHADLP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)[C@@H]2CCC[C@@H]21 ZINC000552248337 872266456 /nfs/dbraw/zinc/26/64/56/872266456.db2.gz DBCZTOIWWDMORG-FYQPLNBISA-N 2 2 381.486 3.742 20 0 GHADLP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)[C@@H]2CCC[C@@H]21 ZINC000552248337 872266475 /nfs/dbraw/zinc/26/64/75/872266475.db2.gz DBCZTOIWWDMORG-FYQPLNBISA-N 2 2 381.486 3.742 20 0 GHADLP CC[N@@H+](Cc1cc(OC)c2c(c1)OCCO2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564643 872273841 /nfs/dbraw/zinc/27/38/41/872273841.db2.gz DWLXZPQQAQZRRI-UHFFFAOYSA-N 2 2 397.519 3.600 20 0 GHADLP CC[N@H+](Cc1cc(OC)c2c(c1)OCCO2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564643 872273858 /nfs/dbraw/zinc/27/38/58/872273858.db2.gz DWLXZPQQAQZRRI-UHFFFAOYSA-N 2 2 397.519 3.600 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1OCc1cccnc1 ZINC000093683733 872340602 /nfs/dbraw/zinc/34/06/02/872340602.db2.gz WCWAYHWOKZECTB-JOCHJYFZSA-N 2 2 395.547 3.977 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1OCc1cccnc1 ZINC000093683733 872340624 /nfs/dbraw/zinc/34/06/24/872340624.db2.gz WCWAYHWOKZECTB-JOCHJYFZSA-N 2 2 395.547 3.977 20 0 GHADLP C[C@H]1C[C@H](CCNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000447813955 872344679 /nfs/dbraw/zinc/34/46/79/872344679.db2.gz YBVAFISKZAINMW-OALUTQOASA-N 2 2 380.621 3.506 20 0 GHADLP C[C@H]1C[C@H](CCNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000447813955 872344692 /nfs/dbraw/zinc/34/46/92/872344692.db2.gz YBVAFISKZAINMW-OALUTQOASA-N 2 2 380.621 3.506 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000463704691 872373428 /nfs/dbraw/zinc/37/34/28/872373428.db2.gz NSOULTUHWYQOKP-MOPGFXCFSA-N 2 2 379.508 3.635 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000463704691 872373443 /nfs/dbraw/zinc/37/34/43/872373443.db2.gz NSOULTUHWYQOKP-MOPGFXCFSA-N 2 2 379.508 3.635 20 0 GHADLP CC(C)[NH+]1CCC([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000494611698 882611831 /nfs/dbraw/zinc/61/18/31/882611831.db2.gz KNYHCUUQJLLUIV-UHFFFAOYSA-N 2 2 380.458 3.913 20 0 GHADLP OC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000526995035 872446660 /nfs/dbraw/zinc/44/66/60/872446660.db2.gz HTTQFYVCTAYKHZ-QGZVFWFLSA-N 2 2 376.850 3.856 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000921200927 882664894 /nfs/dbraw/zinc/66/48/94/882664894.db2.gz COSJIHOUTOIGRI-QFIPXVFZSA-N 2 2 391.519 3.755 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(C(F)(F)F)co3)C2)ccn1 ZINC001196392801 873071008 /nfs/dbraw/zinc/07/10/08/873071008.db2.gz JULDTTPLGHSIRG-KRWDZBQOSA-N 2 2 383.414 3.798 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(C(F)(F)F)co3)C2)ccn1 ZINC001196392801 873071022 /nfs/dbraw/zinc/07/10/22/873071022.db2.gz JULDTTPLGHSIRG-KRWDZBQOSA-N 2 2 383.414 3.798 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(C(F)(F)F)co3)C2)ccn1 ZINC001196392801 873071034 /nfs/dbraw/zinc/07/10/34/873071034.db2.gz JULDTTPLGHSIRG-KRWDZBQOSA-N 2 2 383.414 3.798 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(C(F)(F)F)co3)C2)ccn1 ZINC001196392801 873071046 /nfs/dbraw/zinc/07/10/46/873071046.db2.gz JULDTTPLGHSIRG-KRWDZBQOSA-N 2 2 383.414 3.798 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cs2)cn1 ZINC000527648555 873400770 /nfs/dbraw/zinc/40/07/70/873400770.db2.gz HNAPBIKCHBSULI-SFHVURJKSA-N 2 2 381.549 3.545 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cs2)cn1 ZINC000527648555 873400772 /nfs/dbraw/zinc/40/07/72/873400772.db2.gz HNAPBIKCHBSULI-SFHVURJKSA-N 2 2 381.549 3.545 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCc2ccccc2NC1=O ZINC000192049791 882721197 /nfs/dbraw/zinc/72/11/97/882721197.db2.gz AADZVQQQTUVJPB-NRFANRHFSA-N 2 2 378.520 3.573 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCc2ccccc2NC1=O ZINC000192049791 882721207 /nfs/dbraw/zinc/72/12/07/882721207.db2.gz AADZVQQQTUVJPB-NRFANRHFSA-N 2 2 378.520 3.573 20 0 GHADLP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2c(F)ccc(F)c2Cl)CC1 ZINC000527671643 873433115 /nfs/dbraw/zinc/43/31/15/873433115.db2.gz YAGGAFPMCLFAPE-UHFFFAOYSA-N 2 2 380.866 3.865 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(C)cc(Br)cn23)C[C@@H]1C ZINC000541535008 873822286 /nfs/dbraw/zinc/82/22/86/873822286.db2.gz KIBJEZGTMMDVCC-GOEBONIOSA-N 2 2 379.346 3.710 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(C)cc(Br)cn23)C[C@@H]1C ZINC000541535008 873822293 /nfs/dbraw/zinc/82/22/93/873822293.db2.gz KIBJEZGTMMDVCC-GOEBONIOSA-N 2 2 379.346 3.710 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc3c(C)cc(Br)cn23)C[C@@H]1C ZINC000541535008 873822308 /nfs/dbraw/zinc/82/23/08/873822308.db2.gz KIBJEZGTMMDVCC-GOEBONIOSA-N 2 2 379.346 3.710 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc3c(C)cc(Br)cn23)C[C@@H]1C ZINC000541535008 873822324 /nfs/dbraw/zinc/82/23/24/873822324.db2.gz KIBJEZGTMMDVCC-GOEBONIOSA-N 2 2 379.346 3.710 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1OCC(F)(F)F ZINC000537648452 882772788 /nfs/dbraw/zinc/77/27/88/882772788.db2.gz SLECHINWHXCDBC-QGZVFWFLSA-N 2 2 386.458 3.800 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1OCC(F)(F)F ZINC000537648452 882772793 /nfs/dbraw/zinc/77/27/93/882772793.db2.gz SLECHINWHXCDBC-QGZVFWFLSA-N 2 2 386.458 3.800 20 0 GHADLP COc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1OCC(F)(F)F ZINC000537648452 882772804 /nfs/dbraw/zinc/77/28/04/882772804.db2.gz SLECHINWHXCDBC-QGZVFWFLSA-N 2 2 386.458 3.800 20 0 GHADLP COc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1OCC(F)(F)F ZINC000537648452 882772810 /nfs/dbraw/zinc/77/28/10/882772810.db2.gz SLECHINWHXCDBC-QGZVFWFLSA-N 2 2 386.458 3.800 20 0 GHADLP Cn1c[nH+]cc1CC[N@@H+]1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC001197901046 874097856 /nfs/dbraw/zinc/09/78/56/874097856.db2.gz GYOALPFBQWNPKO-UHFFFAOYSA-N 2 2 376.298 3.542 20 0 GHADLP Cn1c[nH+]cc1CC[N@H+]1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC001197901046 874097866 /nfs/dbraw/zinc/09/78/66/874097866.db2.gz GYOALPFBQWNPKO-UHFFFAOYSA-N 2 2 376.298 3.542 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4c(ccc5ccccc45)o3)CC2)CC1 ZINC000528315940 874368258 /nfs/dbraw/zinc/36/82/58/874368258.db2.gz PNBRZKINXQCGQN-UHFFFAOYSA-N 2 2 391.515 3.874 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770002901 874397035 /nfs/dbraw/zinc/39/70/35/874397035.db2.gz BTIMDSDOCOIJED-RBUKOAKNSA-N 2 2 395.551 3.617 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770002901 874397050 /nfs/dbraw/zinc/39/70/50/874397050.db2.gz BTIMDSDOCOIJED-RBUKOAKNSA-N 2 2 395.551 3.617 20 0 GHADLP COc1cccc([C@H](C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)N(C)C)c1 ZINC000449066193 874404049 /nfs/dbraw/zinc/40/40/49/874404049.db2.gz YYQNAVYZWHKLJS-CPJSRVTESA-N 2 2 395.591 3.983 20 0 GHADLP CC(C)[C@@H](C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000449072732 874452645 /nfs/dbraw/zinc/45/26/45/874452645.db2.gz GJWMKRUNSYODKG-OAQYLSRUSA-N 3 2 380.665 3.527 20 0 GHADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449184565 874576735 /nfs/dbraw/zinc/57/67/35/874576735.db2.gz FCVHYNXEHYCZLF-MSOLQXFVSA-N 2 2 393.503 3.556 20 0 GHADLP Cc1cccc(C)c1NC(=O)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449220453 874609418 /nfs/dbraw/zinc/60/94/18/874609418.db2.gz QKSMSKLAWJOGFE-FQEVSTJZSA-N 2 2 379.548 3.927 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc3ccccc3)CC1)CCC2 ZINC000449243742 874650837 /nfs/dbraw/zinc/65/08/37/874650837.db2.gz MWEDNLDBXJWVRX-AUSIDOKSSA-N 2 2 396.579 3.592 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)cc(Br)c2)C[C@H](C)O1 ZINC001199085753 874800117 /nfs/dbraw/zinc/80/01/17/874800117.db2.gz NXRYIZKUORWZSG-BETUJISGSA-N 2 2 375.738 3.691 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)cc(Br)c2)C[C@H](C)O1 ZINC001199085753 874800128 /nfs/dbraw/zinc/80/01/28/874800128.db2.gz NXRYIZKUORWZSG-BETUJISGSA-N 2 2 375.738 3.691 20 0 GHADLP O[C@@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1)c1cccc(OC(F)F)c1 ZINC000770710012 874845437 /nfs/dbraw/zinc/84/54/37/874845437.db2.gz KOFCBUGLRNXBME-FQEVSTJZSA-N 2 2 387.430 3.720 20 0 GHADLP O[C@@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1)c1cccc(OC(F)F)c1 ZINC000770710012 874845449 /nfs/dbraw/zinc/84/54/49/874845449.db2.gz KOFCBUGLRNXBME-FQEVSTJZSA-N 2 2 387.430 3.720 20 0 GHADLP FC(F)(F)c1ccc(NCCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)nc1 ZINC001199197483 874846787 /nfs/dbraw/zinc/84/67/87/874846787.db2.gz GFFQQCLUMQNTOT-UHFFFAOYSA-N 2 2 381.427 3.939 20 0 GHADLP COC(=O)c1oc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1C ZINC000475728473 882871313 /nfs/dbraw/zinc/87/13/13/882871313.db2.gz SPQKPOHJIFWRFA-HSZRJFAPSA-N 2 2 382.504 3.863 20 0 GHADLP COC(=O)c1oc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1C ZINC000475728473 882871331 /nfs/dbraw/zinc/87/13/31/882871331.db2.gz SPQKPOHJIFWRFA-HSZRJFAPSA-N 2 2 382.504 3.863 20 0 GHADLP COC(=O)c1oc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1C ZINC000475728473 882871351 /nfs/dbraw/zinc/87/13/51/882871351.db2.gz SPQKPOHJIFWRFA-HSZRJFAPSA-N 2 2 382.504 3.863 20 0 GHADLP COC(=O)c1oc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1C ZINC000475728473 882871370 /nfs/dbraw/zinc/87/13/70/882871370.db2.gz SPQKPOHJIFWRFA-HSZRJFAPSA-N 2 2 382.504 3.863 20 0 GHADLP COc1cccc2c1CCC[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC001199392087 874938968 /nfs/dbraw/zinc/93/89/68/874938968.db2.gz NIGFSLLGSHMFMX-QFIPXVFZSA-N 2 2 380.532 3.565 20 0 GHADLP COc1ccc(F)cc1C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449523519 874996270 /nfs/dbraw/zinc/99/62/70/874996270.db2.gz LOOYOZKMLUMQMF-UHFFFAOYSA-N 2 2 385.483 3.547 20 0 GHADLP c1c(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)nnn1-c1ccccc1 ZINC001199896784 875216670 /nfs/dbraw/zinc/21/66/70/875216670.db2.gz QFTGNILCUJBMHQ-UHFFFAOYSA-N 2 2 375.520 3.933 20 0 GHADLP Cc1c[nH+]ccc1NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000192507235 882934049 /nfs/dbraw/zinc/93/40/49/882934049.db2.gz MPABJTKIUCUTDJ-UHFFFAOYSA-N 2 2 377.467 3.863 20 0 GHADLP c1ccc(C[C@H]2CC[C@@H]([NH2+]Cc3ccc(OCC[NH+]4CCOCC4)cc3)C2)cc1 ZINC001202056436 875982302 /nfs/dbraw/zinc/98/23/02/875982302.db2.gz ABVYHEVHYCCGCH-DNQXCXABSA-N 2 2 394.559 3.899 20 0 GHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000492252670 876534824 /nfs/dbraw/zinc/53/48/24/876534824.db2.gz LFMVITZVEWMCCX-QGZVFWFLSA-N 2 2 392.507 3.577 20 0 GHADLP CC[N@H+](C[C@H](O)Cc1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000450573747 876632282 /nfs/dbraw/zinc/63/22/82/876632282.db2.gz YCIIDCQUDKIXBH-JOCHJYFZSA-N 2 2 396.579 3.803 20 0 GHADLP CC[N@@H+](C[C@H](O)Cc1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000450573747 876632291 /nfs/dbraw/zinc/63/22/91/876632291.db2.gz YCIIDCQUDKIXBH-JOCHJYFZSA-N 2 2 396.579 3.803 20 0 GHADLP C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000850417849 876899359 /nfs/dbraw/zinc/89/93/59/876899359.db2.gz OPAZCKWSPGWKHI-KRWDZBQOSA-N 2 2 390.572 3.566 20 0 GHADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000174227711 876911768 /nfs/dbraw/zinc/91/17/68/876911768.db2.gz QFDIQFXSBLCMSM-LJQANCHMSA-N 2 2 377.548 3.617 20 0 GHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000174227711 876911778 /nfs/dbraw/zinc/91/17/78/876911778.db2.gz QFDIQFXSBLCMSM-LJQANCHMSA-N 2 2 377.548 3.617 20 0 GHADLP COC(=O)CC(C)(C)C[C@H](C)[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000850450132 876933880 /nfs/dbraw/zinc/93/38/80/876933880.db2.gz DAKSLSWUQVKWMD-KRWDZBQOSA-N 2 2 375.557 3.997 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1Cl ZINC000850514366 876984985 /nfs/dbraw/zinc/98/49/85/876984985.db2.gz SWAKFUXETLWIDG-ZDUSSCGKSA-N 2 2 384.867 3.867 20 0 GHADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000530029849 876990443 /nfs/dbraw/zinc/99/04/43/876990443.db2.gz XEASSBFPAFIOJC-ICSRJNTNSA-N 2 2 384.568 3.626 20 0 GHADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000530029849 876990454 /nfs/dbraw/zinc/99/04/54/876990454.db2.gz XEASSBFPAFIOJC-ICSRJNTNSA-N 2 2 384.568 3.626 20 0 GHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000786920762 877030290 /nfs/dbraw/zinc/03/02/90/877030290.db2.gz OMXUOCDZHXXMJE-CYFREDJKSA-N 2 2 392.547 3.922 20 0 GHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000786920762 877030300 /nfs/dbraw/zinc/03/03/00/877030300.db2.gz OMXUOCDZHXXMJE-CYFREDJKSA-N 2 2 392.547 3.922 20 0 GHADLP Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000615462802 877774582 /nfs/dbraw/zinc/77/45/82/877774582.db2.gz HPFQTPFHYRIYTK-NRFANRHFSA-N 2 2 383.561 3.538 20 0 GHADLP OC1(C(F)(F)F)CCC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000530471715 877870610 /nfs/dbraw/zinc/87/06/10/877870610.db2.gz JRFBXHWHHSKTTI-UHFFFAOYSA-N 2 2 388.396 3.617 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000121849776 877903354 /nfs/dbraw/zinc/90/33/54/877903354.db2.gz ONJYXRGDDWILMA-OAHLLOKOSA-N 2 2 397.548 3.865 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000121849776 877903362 /nfs/dbraw/zinc/90/33/62/877903362.db2.gz ONJYXRGDDWILMA-OAHLLOKOSA-N 2 2 397.548 3.865 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788251101 877957024 /nfs/dbraw/zinc/95/70/24/877957024.db2.gz UOAJDURDJHIEIN-RBUKOAKNSA-N 2 2 397.604 3.691 20 0 GHADLP C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000530524304 877977455 /nfs/dbraw/zinc/97/74/55/877977455.db2.gz LZRQZCIWHOYMEB-OTWHNJEPSA-N 2 2 398.551 3.809 20 0 GHADLP C[C@@]1(c2ccccc2)CCN(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1=O ZINC000788381567 878045600 /nfs/dbraw/zinc/04/56/00/878045600.db2.gz FKERIJAMBXRRJF-DEOSSOPVSA-N 2 2 392.547 3.547 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527156 878091810 /nfs/dbraw/zinc/09/18/10/878091810.db2.gz JQCGPZCYCJWGLK-AVRDEDQJSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527156 878091824 /nfs/dbraw/zinc/09/18/24/878091824.db2.gz JQCGPZCYCJWGLK-AVRDEDQJSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527156 878091832 /nfs/dbraw/zinc/09/18/32/878091832.db2.gz JQCGPZCYCJWGLK-AVRDEDQJSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527156 878091845 /nfs/dbraw/zinc/09/18/45/878091845.db2.gz JQCGPZCYCJWGLK-AVRDEDQJSA-N 2 2 389.971 3.594 20 0 GHADLP Cc1cc(C)c(N2CC[C@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2=O)c(C)c1 ZINC000788972844 878483463 /nfs/dbraw/zinc/48/34/63/878483463.db2.gz IPCOJHQZGJLPGD-IBGZPJMESA-N 2 2 380.517 3.754 20 0 GHADLP Cc1ccc(N2CC[C@@H]([NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)C2=O)cc1 ZINC000789353326 878841981 /nfs/dbraw/zinc/84/19/81/878841981.db2.gz ROJCOQQRIFOXBR-OAQYLSRUSA-N 2 2 378.520 3.513 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCCS2 ZINC000853233200 878916486 /nfs/dbraw/zinc/91/64/86/878916486.db2.gz BVOFWQZWDROPOA-BFYDXBDKSA-N 2 2 397.382 3.829 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCCS2 ZINC000853233200 878916494 /nfs/dbraw/zinc/91/64/94/878916494.db2.gz BVOFWQZWDROPOA-BFYDXBDKSA-N 2 2 397.382 3.829 20 0 GHADLP C[C@@]1(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000616561679 878971269 /nfs/dbraw/zinc/97/12/69/878971269.db2.gz FIFBPFXOTVFURV-ZJSXRUAMSA-N 2 2 388.515 3.713 20 0 GHADLP C[C@@]1(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000616561679 878971277 /nfs/dbraw/zinc/97/12/77/878971277.db2.gz FIFBPFXOTVFURV-ZJSXRUAMSA-N 2 2 388.515 3.713 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000246350008 879444240 /nfs/dbraw/zinc/44/42/40/879444240.db2.gz HQYKMBMFUVQGHG-VQIMIIECSA-N 2 2 393.453 3.979 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000246350008 879444247 /nfs/dbraw/zinc/44/42/47/879444247.db2.gz HQYKMBMFUVQGHG-VQIMIIECSA-N 2 2 393.453 3.979 20 0 GHADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000493504598 879476238 /nfs/dbraw/zinc/47/62/38/879476238.db2.gz SGCDXTWZVADQRP-UNMCSNQZSA-N 2 2 387.568 3.652 20 0 GHADLP CC(C)CC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000493504595 879476367 /nfs/dbraw/zinc/47/63/67/879476367.db2.gz SGCDXTWZVADQRP-IFMALSPDSA-N 2 2 387.568 3.652 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc(N2CCOC2=O)c1 ZINC000854223811 879641560 /nfs/dbraw/zinc/64/15/60/879641560.db2.gz HOTSJOSNDWIYKN-IPHXSNPTSA-N 2 2 383.467 3.579 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)[N@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C1CC1 ZINC000790370077 879672581 /nfs/dbraw/zinc/67/25/81/879672581.db2.gz NXWJRUBGSLHPFW-VFNWGFHPSA-N 2 2 389.927 3.740 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C1CC1 ZINC000790370077 879672590 /nfs/dbraw/zinc/67/25/90/879672590.db2.gz NXWJRUBGSLHPFW-VFNWGFHPSA-N 2 2 389.927 3.740 20 0 GHADLP CC(C)c1ccc([C@@H]2CCC[N@@H+]2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790372266 879676674 /nfs/dbraw/zinc/67/66/74/879676674.db2.gz NCZROYGPVCNINT-JTHBVZDNSA-N 2 2 383.536 3.821 20 0 GHADLP CC(C)c1ccc([C@@H]2CCC[N@H+]2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790372266 879676678 /nfs/dbraw/zinc/67/66/78/879676678.db2.gz NCZROYGPVCNINT-JTHBVZDNSA-N 2 2 383.536 3.821 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)cc1 ZINC000493953029 879769284 /nfs/dbraw/zinc/76/92/84/879769284.db2.gz QALJDLYZXCRKHJ-WXFUMESZSA-N 2 2 397.607 3.522 20 0 GHADLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc2c(c1)OCCO2 ZINC000538591247 879805771 /nfs/dbraw/zinc/80/57/71/879805771.db2.gz KNIATWRFJJOTJF-FQEVSTJZSA-N 2 2 396.535 3.946 20 0 GHADLP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246819382 879815204 /nfs/dbraw/zinc/81/52/04/879815204.db2.gz NRIHNGBTGIFXAW-HMNCIZAVSA-N 2 2 383.580 3.981 20 0 GHADLP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246819382 879815205 /nfs/dbraw/zinc/81/52/05/879815205.db2.gz NRIHNGBTGIFXAW-HMNCIZAVSA-N 2 2 383.580 3.981 20 0 GHADLP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246819382 879815217 /nfs/dbraw/zinc/81/52/17/879815217.db2.gz NRIHNGBTGIFXAW-HMNCIZAVSA-N 2 2 383.580 3.981 20 0 GHADLP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246819382 879815227 /nfs/dbraw/zinc/81/52/27/879815227.db2.gz NRIHNGBTGIFXAW-HMNCIZAVSA-N 2 2 383.580 3.981 20 0 GHADLP c1c(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)[nH+]c2n1CCCC2 ZINC000453083158 880439294 /nfs/dbraw/zinc/43/92/94/880439294.db2.gz MXOTZRWAYDEFSF-RJGXRXQPSA-N 3 2 378.564 3.795 20 0 GHADLP c1c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)[nH+]c2n1CCCC2 ZINC000453083158 880439300 /nfs/dbraw/zinc/43/93/00/880439300.db2.gz MXOTZRWAYDEFSF-RJGXRXQPSA-N 3 2 378.564 3.795 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]Cc1ccccc1N1CCOCC1)C1CC1 ZINC000185223592 880511967 /nfs/dbraw/zinc/51/19/67/880511967.db2.gz LZFUIMNQTFYEBZ-DEOSSOPVSA-N 2 2 379.548 3.523 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]Cc1ccccc1N1CCOCC1)C1CC1 ZINC000185223592 880511984 /nfs/dbraw/zinc/51/19/84/880511984.db2.gz LZFUIMNQTFYEBZ-DEOSSOPVSA-N 2 2 379.548 3.523 20 0 GHADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2(C(=O)Nc3ccccc3)CC2)CC1 ZINC000453191938 880597837 /nfs/dbraw/zinc/59/78/37/880597837.db2.gz BWCCPXYUHXZKND-IBGZPJMESA-N 2 2 377.532 3.843 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](c3cccs3)C(C)(C)CO)sc2C1 ZINC000453571279 881073083 /nfs/dbraw/zinc/07/30/83/881073083.db2.gz CAGOFFKWJCXHDY-GOSISDBHSA-N 2 2 379.595 3.821 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](c3cccs3)C(C)(C)CO)sc2C1 ZINC000453571279 881073100 /nfs/dbraw/zinc/07/31/00/881073100.db2.gz CAGOFFKWJCXHDY-GOSISDBHSA-N 2 2 379.595 3.821 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H](c3cccs3)C(C)(C)CO)sc2C1 ZINC000453571280 881073542 /nfs/dbraw/zinc/07/35/42/881073542.db2.gz CAGOFFKWJCXHDY-SFHVURJKSA-N 2 2 379.595 3.821 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H](c3cccs3)C(C)(C)CO)sc2C1 ZINC000453571280 881073557 /nfs/dbraw/zinc/07/35/57/881073557.db2.gz CAGOFFKWJCXHDY-SFHVURJKSA-N 2 2 379.595 3.821 20 0 GHADLP C[C@@H]1C[C@@H](C[NH+]2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)CCO1 ZINC000453578821 881083720 /nfs/dbraw/zinc/08/37/20/881083720.db2.gz VBMSBOUPFNHHDS-MOPGFXCFSA-N 2 2 391.987 3.742 20 0 GHADLP CN(C(=O)Cc1coc2ccccc12)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000556936874 881124507 /nfs/dbraw/zinc/12/45/07/881124507.db2.gz DDIZKWYXDHGRCO-FGZHOGPDSA-N 2 2 397.563 3.771 20 0 GHADLP CN(C(=O)Cc1coc2ccccc12)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000556936874 881124511 /nfs/dbraw/zinc/12/45/11/881124511.db2.gz DDIZKWYXDHGRCO-FGZHOGPDSA-N 2 2 397.563 3.771 20 0 GHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000187476969 881207595 /nfs/dbraw/zinc/20/75/95/881207595.db2.gz PEWXMXRCSIUDHL-HJNYFJLDSA-N 2 2 397.567 3.632 20 0 GHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000187476969 881207613 /nfs/dbraw/zinc/20/76/13/881207613.db2.gz PEWXMXRCSIUDHL-HJNYFJLDSA-N 2 2 397.567 3.632 20 0 GHADLP C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccncc1F ZINC000551049801 883170093 /nfs/dbraw/zinc/17/00/93/883170093.db2.gz AZLJXODLJRHLCJ-AWEZNQCLSA-N 2 2 396.432 3.842 20 0 GHADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)CC2)oc1C ZINC000551049834 883171780 /nfs/dbraw/zinc/17/17/80/883171780.db2.gz BSMLONYMXXMQJA-PKTZIBPZSA-N 3 2 396.579 3.929 20 0 GHADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)CC2)oc1C ZINC000551049834 883171784 /nfs/dbraw/zinc/17/17/84/883171784.db2.gz BSMLONYMXXMQJA-PKTZIBPZSA-N 3 2 396.579 3.929 20 0 GHADLP CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000643473100 912717114 /nfs/dbraw/zinc/71/71/14/912717114.db2.gz PTZJNPQINPUMGE-GOSISDBHSA-N 2 2 381.524 3.882 20 0 GHADLP C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000551242628 883534092 /nfs/dbraw/zinc/53/40/92/883534092.db2.gz UUIPGXPADYCSGT-LAUBAEHRSA-N 2 2 396.510 3.531 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)C2 ZINC000475788796 883823686 /nfs/dbraw/zinc/82/36/86/883823686.db2.gz CDDFYYKHTHFHSM-OALUTQOASA-N 2 2 386.584 3.799 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C2 ZINC000475788796 883823702 /nfs/dbraw/zinc/82/37/02/883823702.db2.gz CDDFYYKHTHFHSM-OALUTQOASA-N 2 2 386.584 3.799 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)CC2 ZINC000475788796 883823722 /nfs/dbraw/zinc/82/37/22/883823722.db2.gz CDDFYYKHTHFHSM-OALUTQOASA-N 2 2 386.584 3.799 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)CC2 ZINC000475788796 883823746 /nfs/dbraw/zinc/82/37/46/883823746.db2.gz CDDFYYKHTHFHSM-OALUTQOASA-N 2 2 386.584 3.799 20 0 GHADLP Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)c(C)o1 ZINC000191986543 884234655 /nfs/dbraw/zinc/23/46/55/884234655.db2.gz AFQLWPMIFUZRLC-UHFFFAOYSA-N 2 2 392.503 3.785 20 0 GHADLP CC(C)C[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)c2C1 ZINC000476222113 884275806 /nfs/dbraw/zinc/27/58/06/884275806.db2.gz QRJZXEPVPRAHRK-UHFFFAOYSA-N 2 2 387.549 3.521 20 0 GHADLP CC(C)C[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)c2C1 ZINC000476222113 884275817 /nfs/dbraw/zinc/27/58/17/884275817.db2.gz QRJZXEPVPRAHRK-UHFFFAOYSA-N 2 2 387.549 3.521 20 0 GHADLP Cc1ccccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CCCC1 ZINC000495030305 884404785 /nfs/dbraw/zinc/40/47/85/884404785.db2.gz XYSRKDFVEODCTL-LUQQLXLSSA-N 2 2 383.580 3.900 20 0 GHADLP Cc1ccccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CCCC1 ZINC000495030305 884404794 /nfs/dbraw/zinc/40/47/94/884404794.db2.gz XYSRKDFVEODCTL-LUQQLXLSSA-N 2 2 383.580 3.900 20 0 GHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc2c(c1)OCCO2 ZINC000537488277 884597407 /nfs/dbraw/zinc/59/74/07/884597407.db2.gz XRUVUOSRSOHITQ-INIZCTEOSA-N 2 2 382.508 3.556 20 0 GHADLP Cc1ccc(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(N(C)C)[nH+]1 ZINC000806361310 884638924 /nfs/dbraw/zinc/63/89/24/884638924.db2.gz NFTPNPWLNZWQTP-HSZRJFAPSA-N 2 2 393.535 3.586 20 0 GHADLP Cc1ccc(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(N(C)C)[nH+]1 ZINC000806361310 884638926 /nfs/dbraw/zinc/63/89/26/884638926.db2.gz NFTPNPWLNZWQTP-HSZRJFAPSA-N 2 2 393.535 3.586 20 0 GHADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C[C@@H](C)O1 ZINC000643898409 912932905 /nfs/dbraw/zinc/93/29/05/912932905.db2.gz GMZGQQLDDRSOSD-RTBURBONSA-N 2 2 378.520 3.614 20 0 GHADLP C[C@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000303377101 885543181 /nfs/dbraw/zinc/54/31/81/885543181.db2.gz LQOAQWRCYXSJKQ-OAQYLSRUSA-N 2 2 390.531 3.595 20 0 GHADLP C[C@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000303377101 885543188 /nfs/dbraw/zinc/54/31/88/885543188.db2.gz LQOAQWRCYXSJKQ-OAQYLSRUSA-N 2 2 390.531 3.595 20 0 GHADLP O=C(CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000044858147 885574015 /nfs/dbraw/zinc/57/40/15/885574015.db2.gz FUXUXLLDXYHPNA-JOCHJYFZSA-N 2 2 398.938 3.515 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@H](C)[N@H+](C)Cc3ccccc3)cn2c1 ZINC000303525107 885607497 /nfs/dbraw/zinc/60/74/97/885607497.db2.gz ZXUAXJGXAYDIKM-SFHVURJKSA-N 2 2 396.560 3.513 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@H](C)[N@@H+](C)Cc3ccccc3)cn2c1 ZINC000303525107 885607505 /nfs/dbraw/zinc/60/75/05/885607505.db2.gz ZXUAXJGXAYDIKM-SFHVURJKSA-N 2 2 396.560 3.513 20 0 GHADLP Cc1ccc(CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C(C)C)s1 ZINC000102013617 885964852 /nfs/dbraw/zinc/96/48/52/885964852.db2.gz TYZHLKCTQVWTJI-UHFFFAOYSA-N 2 2 392.613 3.535 20 0 GHADLP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000862272335 886271048 /nfs/dbraw/zinc/27/10/48/886271048.db2.gz IFXXZHLAPTYTDM-GJZGRUSLSA-N 2 2 386.487 3.532 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cn(C(F)F)c3ccccc23)CC1 ZINC000862527827 886429344 /nfs/dbraw/zinc/42/93/44/886429344.db2.gz HUJZQBCZQQRKDS-UHFFFAOYSA-N 2 2 379.451 3.544 20 0 GHADLP CCN(CC)[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccco1 ZINC000119098566 886642144 /nfs/dbraw/zinc/64/21/44/886642144.db2.gz JFJJDOYICCBBSX-QFIPXVFZSA-N 2 2 384.568 3.987 20 0 GHADLP O[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccc(F)c(F)c1 ZINC000747532946 886850288 /nfs/dbraw/zinc/85/02/88/886850288.db2.gz VCKOMLADBQZNQN-GOTSBHOMSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccc(F)c(F)c1 ZINC000747532946 886850298 /nfs/dbraw/zinc/85/02/98/886850298.db2.gz VCKOMLADBQZNQN-GOTSBHOMSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccc(F)c(F)c1 ZINC000747532946 886850315 /nfs/dbraw/zinc/85/03/15/886850315.db2.gz VCKOMLADBQZNQN-GOTSBHOMSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccc(F)c(F)c1 ZINC000747532946 886850333 /nfs/dbraw/zinc/85/03/33/886850333.db2.gz VCKOMLADBQZNQN-GOTSBHOMSA-N 2 2 386.486 3.986 20 0 GHADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(-c4ccccc4)o3)cc2)CC1 ZINC000237091225 886910573 /nfs/dbraw/zinc/91/05/73/886910573.db2.gz NNBKYKSRDWQSJV-UHFFFAOYSA-N 2 2 375.516 3.984 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2cc(Br)ccc21 ZINC000794811158 888162988 /nfs/dbraw/zinc/16/29/88/888162988.db2.gz VLBGGWPAZFZWKR-VKJFTORMSA-N 2 2 379.342 3.624 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c2cc(Br)ccc21 ZINC000794811158 888162998 /nfs/dbraw/zinc/16/29/98/888162998.db2.gz VLBGGWPAZFZWKR-VKJFTORMSA-N 2 2 379.342 3.624 20 0 GHADLP CCCCCC[C@H](CC)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001170599652 888283146 /nfs/dbraw/zinc/28/31/46/888283146.db2.gz PKPMKGRFYZCQMR-PMACEKPBSA-N 2 2 375.605 3.756 20 0 GHADLP CCCCCC[C@H](CC)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001170599652 888283162 /nfs/dbraw/zinc/28/31/62/888283162.db2.gz PKPMKGRFYZCQMR-PMACEKPBSA-N 2 2 375.605 3.756 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@]3(C)OCCc4sccc43)CC2)cc1 ZINC000810252905 888353870 /nfs/dbraw/zinc/35/38/70/888353870.db2.gz KVPPAMWRJLRJMZ-JOCHJYFZSA-N 2 2 385.577 3.861 20 0 GHADLP c1c(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc2n1Cc1ccccc1 ZINC000729683783 888533695 /nfs/dbraw/zinc/53/36/95/888533695.db2.gz AUBSXFRMEZKXFG-VXKWHMMOSA-N 2 2 375.516 3.642 20 0 GHADLP c1c(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c2ccccc2n1Cc1ccccc1 ZINC000729683783 888533704 /nfs/dbraw/zinc/53/37/04/888533704.db2.gz AUBSXFRMEZKXFG-VXKWHMMOSA-N 2 2 375.516 3.642 20 0 GHADLP O=C1N(CCn2cc[nH+]c2)CC[C@]12CCC[N@@H+](Cc1sccc1Cl)CC2 ZINC001275314952 913265008 /nfs/dbraw/zinc/26/50/08/913265008.db2.gz ONSSFROQGINULO-LJQANCHMSA-N 2 2 392.956 3.503 20 0 GHADLP O=C1N(CCn2cc[nH+]c2)CC[C@]12CCC[N@H+](Cc1sccc1Cl)CC2 ZINC001275314952 913265026 /nfs/dbraw/zinc/26/50/26/913265026.db2.gz ONSSFROQGINULO-LJQANCHMSA-N 2 2 392.956 3.503 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC[N@@H+]1C ZINC000123336237 888778508 /nfs/dbraw/zinc/77/85/08/888778508.db2.gz JQERVZRZAYYNRS-AZUAARDMSA-N 2 2 393.531 3.661 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC[N@H+]1C ZINC000123336237 888778519 /nfs/dbraw/zinc/77/85/19/888778519.db2.gz JQERVZRZAYYNRS-AZUAARDMSA-N 2 2 393.531 3.661 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC[NH+]1C ZINC000123336237 888778534 /nfs/dbraw/zinc/77/85/34/888778534.db2.gz JQERVZRZAYYNRS-AZUAARDMSA-N 2 2 393.531 3.661 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC[NH+]1C ZINC000123336237 888778546 /nfs/dbraw/zinc/77/85/46/888778546.db2.gz JQERVZRZAYYNRS-AZUAARDMSA-N 2 2 393.531 3.661 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccncc2OC[C@H]2CCOC2)cc1 ZINC000287363025 913287977 /nfs/dbraw/zinc/28/79/77/913287977.db2.gz ODLGONIBNAYBTO-MJGOQNOKSA-N 2 2 392.503 3.842 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC[NH+]2CCCCCC2)C[C@@H]1C(F)(F)F ZINC001168509817 888989508 /nfs/dbraw/zinc/98/95/08/888989508.db2.gz QNTNOLLPRSZVCX-JKSUJKDBSA-N 2 2 393.494 3.782 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703241 889013110 /nfs/dbraw/zinc/01/31/10/889013110.db2.gz HGKBLDOKULXSHC-FDDCHVKYSA-N 2 2 397.567 3.513 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703241 889013120 /nfs/dbraw/zinc/01/31/20/889013120.db2.gz HGKBLDOKULXSHC-FDDCHVKYSA-N 2 2 397.567 3.513 20 0 GHADLP CCc1cc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)nc(CC)[nH+]1 ZINC001184673207 913330669 /nfs/dbraw/zinc/33/06/69/913330669.db2.gz JVCQASFQWRUJRG-UHFFFAOYSA-N 2 2 378.442 3.942 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)c(C)c1 ZINC000868181884 889338996 /nfs/dbraw/zinc/33/89/96/889338996.db2.gz FVCFCDGOLQIUOX-BDTNDASRSA-N 2 2 389.503 3.878 20 0 GHADLP Brc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1Br ZINC000124534598 889664367 /nfs/dbraw/zinc/66/43/67/889664367.db2.gz JBWDJNDJOOWMHT-UHFFFAOYSA-N 2 2 387.119 3.978 20 0 GHADLP CC(C)[NH+]1CCC(CCNC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000868945213 889681854 /nfs/dbraw/zinc/68/18/54/889681854.db2.gz ZCDDDMXWASCBKT-OAQYLSRUSA-N 2 2 397.567 3.514 20 0 GHADLP CC(C)c1nc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000124589602 889685525 /nfs/dbraw/zinc/68/55/25/889685525.db2.gz QMZYBQVJSBYDST-MOPGFXCFSA-N 2 2 392.613 3.676 20 0 GHADLP CC(C)c1nc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000124589602 889685537 /nfs/dbraw/zinc/68/55/37/889685537.db2.gz QMZYBQVJSBYDST-MOPGFXCFSA-N 2 2 392.613 3.676 20 0 GHADLP CCCC(O)(CCC)CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124626080 889701189 /nfs/dbraw/zinc/70/11/89/889701189.db2.gz ZGCJYGREWITCRB-NHCUHLMSSA-N 2 2 395.632 3.503 20 0 GHADLP CCCC(O)(CCC)CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124626080 889701204 /nfs/dbraw/zinc/70/12/04/889701204.db2.gz ZGCJYGREWITCRB-NHCUHLMSSA-N 2 2 395.632 3.503 20 0 GHADLP Cc1ccc(F)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124810045 889772246 /nfs/dbraw/zinc/77/22/46/889772246.db2.gz DRZYSDAVMUNNGE-RTWAWAEBSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1ccc(F)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124810045 889772261 /nfs/dbraw/zinc/77/22/61/889772261.db2.gz DRZYSDAVMUNNGE-RTWAWAEBSA-N 2 2 375.532 3.543 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000125476569 890011343 /nfs/dbraw/zinc/01/13/43/890011343.db2.gz SWPSLKQEDVPWIN-KRWDZBQOSA-N 2 2 390.597 3.543 20 0 GHADLP Cc1ccc(Nc2nc(C[N@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)cs2)cc1 ZINC000533308373 890264102 /nfs/dbraw/zinc/26/41/02/890264102.db2.gz FWGOSYLFSUTBFE-NRFANRHFSA-N 2 2 399.608 3.795 20 0 GHADLP Cc1ccc(Nc2nc(C[N@@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)cs2)cc1 ZINC000533308373 890264117 /nfs/dbraw/zinc/26/41/17/890264117.db2.gz FWGOSYLFSUTBFE-NRFANRHFSA-N 2 2 399.608 3.795 20 0 GHADLP O[C@@H]1CCC[C@]1(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(F)cc1 ZINC000428570224 890590778 /nfs/dbraw/zinc/59/07/78/890590778.db2.gz HIHGUDZTPYRTBN-NHCUHLMSSA-N 2 2 385.508 3.936 20 0 GHADLP COc1cc(Cl)c(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000533584124 890898568 /nfs/dbraw/zinc/89/85/68/890898568.db2.gz WOFTUXQAFZVUEW-HXUWFJFHSA-N 2 2 395.330 3.729 20 0 GHADLP COc1cc(Cl)c(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000533584124 890898552 /nfs/dbraw/zinc/89/85/52/890898552.db2.gz WOFTUXQAFZVUEW-HXUWFJFHSA-N 2 2 395.330 3.729 20 0 GHADLP O[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1c(F)cccc1Cl ZINC000812835321 891022253 /nfs/dbraw/zinc/02/22/53/891022253.db2.gz OOUWKESGVZJGKT-HXUWFJFHSA-N 2 2 394.893 3.948 20 0 GHADLP COCC[N@H+](C)CC[C@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC000455483851 891032144 /nfs/dbraw/zinc/03/21/44/891032144.db2.gz QMSZFPFSCFAVTK-FQEVSTJZSA-N 2 2 384.524 3.838 20 0 GHADLP COCC[N@@H+](C)CC[C@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC000455483851 891032155 /nfs/dbraw/zinc/03/21/55/891032155.db2.gz QMSZFPFSCFAVTK-FQEVSTJZSA-N 2 2 384.524 3.838 20 0 GHADLP CC1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cn2)CC1 ZINC000246805496 891308178 /nfs/dbraw/zinc/30/81/78/891308178.db2.gz AHPMLBAFGIGGRJ-OFNKIYASSA-N 2 2 393.579 3.713 20 0 GHADLP CC1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cn2)CC1 ZINC000246805496 891308195 /nfs/dbraw/zinc/30/81/95/891308195.db2.gz AHPMLBAFGIGGRJ-OFNKIYASSA-N 2 2 393.579 3.713 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000917397925 891894744 /nfs/dbraw/zinc/89/47/44/891894744.db2.gz SHNOOWJIHACVKU-HUUCEWRRSA-N 2 2 382.346 3.630 20 0 GHADLP CC(C)C[C@H](C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)n1cc[nH+]c1 ZINC000874105386 891996025 /nfs/dbraw/zinc/99/60/25/891996025.db2.gz ORCBYBCPPHEQGX-OAQYLSRUSA-N 2 2 383.540 3.639 20 0 GHADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@@H]2CSCCc3ccccc32)c1 ZINC000162039106 892040372 /nfs/dbraw/zinc/04/03/72/892040372.db2.gz CZDDDPPXHNDLMN-JOCHJYFZSA-N 2 2 398.572 3.518 20 0 GHADLP C[NH2+]CCC1CC[NH+]([C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)CC1 ZINC000262025002 892199874 /nfs/dbraw/zinc/19/98/74/892199874.db2.gz ZEEQGMJRENNHOR-UONOGXRCSA-N 2 2 388.581 3.904 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1ccc2nc(C)ccc2c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262043022 892205357 /nfs/dbraw/zinc/20/53/57/892205357.db2.gz YNKPXSOKVDMORG-JOCHJYFZSA-N 2 2 389.547 3.904 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1ccc2nc(C)ccc2c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262043022 892205374 /nfs/dbraw/zinc/20/53/74/892205374.db2.gz YNKPXSOKVDMORG-JOCHJYFZSA-N 2 2 389.547 3.904 20 0 GHADLP C[C@H](CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000508709214 892801153 /nfs/dbraw/zinc/80/11/53/892801153.db2.gz GQOPFFKNXBISKH-DPLHUUCSSA-N 2 2 377.576 3.933 20 0 GHADLP C[C@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000508709214 892801174 /nfs/dbraw/zinc/80/11/74/892801174.db2.gz GQOPFFKNXBISKH-DPLHUUCSSA-N 2 2 377.576 3.933 20 0 GHADLP C[C@H](CN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000508709214 892801192 /nfs/dbraw/zinc/80/11/92/892801192.db2.gz GQOPFFKNXBISKH-DPLHUUCSSA-N 2 2 377.576 3.933 20 0 GHADLP C[C@H](CN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000508709214 892801213 /nfs/dbraw/zinc/80/12/13/892801213.db2.gz GQOPFFKNXBISKH-DPLHUUCSSA-N 2 2 377.576 3.933 20 0 GHADLP O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000876033103 892919268 /nfs/dbraw/zinc/91/92/68/892919268.db2.gz KKPTWWGXXFAHAO-OAQYLSRUSA-N 2 2 395.551 3.601 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000428645291 893007328 /nfs/dbraw/zinc/00/73/28/893007328.db2.gz YNPIDUPGCXQGEU-OAHLLOKOSA-N 2 2 385.899 3.621 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000428645291 893007350 /nfs/dbraw/zinc/00/73/50/893007350.db2.gz YNPIDUPGCXQGEU-OAHLLOKOSA-N 2 2 385.899 3.621 20 0 GHADLP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000562964670 893225870 /nfs/dbraw/zinc/22/58/70/893225870.db2.gz ZBEDBDBJIMREIU-RBBKRZOGSA-N 2 2 392.547 3.666 20 0 GHADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000444789590 893512048 /nfs/dbraw/zinc/51/20/48/893512048.db2.gz FGWGTWSNRNWASJ-RXVVDRJESA-N 2 2 382.552 3.675 20 0 GHADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000444789590 893512064 /nfs/dbraw/zinc/51/20/64/893512064.db2.gz FGWGTWSNRNWASJ-RXVVDRJESA-N 2 2 382.552 3.675 20 0 GHADLP CN(c1ccccc1C[N@@H+]1CCOC[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000536695899 893561273 /nfs/dbraw/zinc/56/12/73/893561273.db2.gz MJMOWPABGOIXHN-DEOSSOPVSA-N 2 2 379.548 3.791 20 0 GHADLP CN(c1ccccc1C[N@H+]1CCOC[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000536695899 893561294 /nfs/dbraw/zinc/56/12/94/893561294.db2.gz MJMOWPABGOIXHN-DEOSSOPVSA-N 2 2 379.548 3.791 20 0 GHADLP CCCCn1cc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c(C)n1 ZINC000536889348 894033208 /nfs/dbraw/zinc/03/32/08/894033208.db2.gz IOQGKNTWGBCTCL-UHFFFAOYSA-N 2 2 389.975 3.687 20 0 GHADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000288682696 913842242 /nfs/dbraw/zinc/84/22/42/913842242.db2.gz XINGOGCEMBOCJC-UHFFFAOYSA-N 2 2 382.533 3.825 20 0 GHADLP CCc1ccc([C@@H](NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)c2cccs2)cc1 ZINC000537017482 894197789 /nfs/dbraw/zinc/19/77/89/894197789.db2.gz ZVPVDLYEVCZDID-JOCHJYFZSA-N 2 2 396.560 3.735 20 0 GHADLP CCc1ccc([C@@H](NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)c2cccs2)cc1 ZINC000537017482 894197797 /nfs/dbraw/zinc/19/77/97/894197797.db2.gz ZVPVDLYEVCZDID-JOCHJYFZSA-N 2 2 396.560 3.735 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2c(C)cccc2Cl)[C@H](C)C1 ZINC000878445386 894297963 /nfs/dbraw/zinc/29/79/63/894297963.db2.gz GIIUOWAMPFLFCT-LMMKCTJWSA-N 2 2 395.975 3.702 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2c(C)cccc2Cl)[C@H](C)C1 ZINC000878445386 894297975 /nfs/dbraw/zinc/29/79/75/894297975.db2.gz GIIUOWAMPFLFCT-LMMKCTJWSA-N 2 2 395.975 3.702 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000288790018 913878965 /nfs/dbraw/zinc/87/89/65/913878965.db2.gz YQZUMNIMWCCWOS-APWZRJJASA-N 2 2 392.906 3.865 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000288790018 913878977 /nfs/dbraw/zinc/87/89/77/913878977.db2.gz YQZUMNIMWCCWOS-APWZRJJASA-N 2 2 392.906 3.865 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H](C)O1 ZINC000460186364 894828664 /nfs/dbraw/zinc/82/86/64/894828664.db2.gz XNYRAJQJGRTMBA-OALUTQOASA-N 2 2 387.568 3.746 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=S)Nc3ccc(Cl)cc3)CC2)CC1 ZINC000817565129 895736397 /nfs/dbraw/zinc/73/63/97/895736397.db2.gz BORBGTAHXHLBJP-UHFFFAOYSA-N 2 2 380.989 3.529 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=S)Nc3ccc(Cl)cc3)CC2)CC1 ZINC000817565129 895736411 /nfs/dbraw/zinc/73/64/11/895736411.db2.gz BORBGTAHXHLBJP-UHFFFAOYSA-N 2 2 380.989 3.529 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569122 895752548 /nfs/dbraw/zinc/75/25/48/895752548.db2.gz ITRLPXZIZZFQBC-LAUBAEHRSA-N 2 2 380.467 3.573 20 0 GHADLP CC/C(=C\C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccc(OC)cc1 ZINC000817656158 895822218 /nfs/dbraw/zinc/82/22/18/895822218.db2.gz CETGSZJVIJGORN-FMQUCBEESA-N 2 2 399.579 3.507 20 0 GHADLP CC/C(=C\C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccc(OC)cc1 ZINC000817656158 895822237 /nfs/dbraw/zinc/82/22/37/895822237.db2.gz CETGSZJVIJGORN-FMQUCBEESA-N 2 2 399.579 3.507 20 0 GHADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CC[C@@]4(C3)CCc3ccccc3O4)CC2)cc1 ZINC000565742778 895845804 /nfs/dbraw/zinc/84/58/04/895845804.db2.gz GOKVEKLBLFSZFO-RUZDIDTESA-N 2 2 391.559 3.668 20 0 GHADLP c1ccc(N2CC[NH+](CCC[N@H+]3CC[C@@]4(C3)CCc3ccccc3O4)CC2)cc1 ZINC000565742778 895845809 /nfs/dbraw/zinc/84/58/09/895845809.db2.gz GOKVEKLBLFSZFO-RUZDIDTESA-N 2 2 391.559 3.668 20 0 GHADLP O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000565949115 896004466 /nfs/dbraw/zinc/00/44/66/896004466.db2.gz NXNNPULABRLGBV-SFHVURJKSA-N 2 2 399.564 3.598 20 0 GHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000566033181 896060794 /nfs/dbraw/zinc/06/07/94/896060794.db2.gz KEWGQHCNLMHNSI-SFHVURJKSA-N 2 2 383.414 3.944 20 0 GHADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000566033181 896060810 /nfs/dbraw/zinc/06/08/10/896060810.db2.gz KEWGQHCNLMHNSI-SFHVURJKSA-N 2 2 383.414 3.944 20 0 GHADLP CCC1([NH+]2CCCCC2)CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000881625668 896398663 /nfs/dbraw/zinc/39/86/63/896398663.db2.gz UQWZKKZMFSTROW-UHFFFAOYSA-N 2 2 380.536 3.802 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000819183928 896452670 /nfs/dbraw/zinc/45/26/70/896452670.db2.gz ULLSQJANCZWYFF-MGPUTAFESA-N 2 2 393.453 3.949 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)c3cc(C)cc(C)c3)CC2)cc1 ZINC000819349080 896592065 /nfs/dbraw/zinc/59/20/65/896592065.db2.gz HVDYKWOZRXCZIN-DEOSSOPVSA-N 2 2 395.547 3.549 20 0 GHADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(C)s1 ZINC000826261424 896750693 /nfs/dbraw/zinc/75/06/93/896750693.db2.gz FCJBYCAHZGHOPC-OAHLLOKOSA-N 2 2 396.564 3.860 20 0 GHADLP C[NH+](C)C1CCN(c2ccc([NH2+]CCC(=O)Nc3ccccc3F)cc2)CC1 ZINC000819465880 896779400 /nfs/dbraw/zinc/77/94/00/896779400.db2.gz FNEFLKJDYMTIFW-UHFFFAOYSA-N 2 2 384.499 3.797 20 0 GHADLP Fc1ccc(/C=C\C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1F ZINC000567147308 896912545 /nfs/dbraw/zinc/91/25/45/896912545.db2.gz GUQAXBUASVZPNT-FDQBOKQBSA-N 2 2 397.513 3.870 20 0 GHADLP Fc1ccc(/C=C\C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1F ZINC000567147308 896912554 /nfs/dbraw/zinc/91/25/54/896912554.db2.gz GUQAXBUASVZPNT-FDQBOKQBSA-N 2 2 397.513 3.870 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000282827738 897022145 /nfs/dbraw/zinc/02/21/45/897022145.db2.gz JMKOKEZKUPNIOS-OAQYLSRUSA-N 2 2 395.551 3.530 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000282827738 897022155 /nfs/dbraw/zinc/02/21/55/897022155.db2.gz JMKOKEZKUPNIOS-OAQYLSRUSA-N 2 2 395.551 3.530 20 0 GHADLP Cc1ccccc1[C@@H](OC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)c1ccccc1 ZINC000568179264 897658171 /nfs/dbraw/zinc/65/81/71/897658171.db2.gz JDYRLGLNIBIWQV-KBOSCXGNSA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccccc1[C@@H](OC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2)c1ccccc1 ZINC000568179264 897658180 /nfs/dbraw/zinc/65/81/80/897658180.db2.gz JDYRLGLNIBIWQV-KBOSCXGNSA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccccc1[C@@H](OC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)c1ccccc1 ZINC000568179264 897658187 /nfs/dbraw/zinc/65/81/87/897658187.db2.gz JDYRLGLNIBIWQV-KBOSCXGNSA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccccc1[C@@H](OC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)c1ccccc1 ZINC000568179264 897658199 /nfs/dbraw/zinc/65/81/99/897658199.db2.gz JDYRLGLNIBIWQV-KBOSCXGNSA-N 2 2 394.559 3.630 20 0 GHADLP CC(C)C[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)n1cc[nH+]c1 ZINC000821715445 898060515 /nfs/dbraw/zinc/06/05/15/898060515.db2.gz BVSYLAKQKXWLCB-OAQYLSRUSA-N 2 2 383.540 3.639 20 0 GHADLP C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000103251845 898076975 /nfs/dbraw/zinc/07/69/75/898076975.db2.gz UMXVSKBPNPOIMC-UHFFFAOYSA-N 2 2 375.476 3.631 20 0 GHADLP C[NH+](C)CCN(CCc1ccccc1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000822612784 898501289 /nfs/dbraw/zinc/50/12/89/898501289.db2.gz LQSMJFKEEUUGQV-QFIPXVFZSA-N 2 2 390.531 3.565 20 0 GHADLP CC[C@@H]([NH3+])c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000822957125 898756134 /nfs/dbraw/zinc/75/61/34/898756134.db2.gz XIQRKKTUQMSJPI-HXUWFJFHSA-N 2 2 378.476 3.646 20 0 GHADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000569769624 898940701 /nfs/dbraw/zinc/94/07/01/898940701.db2.gz NTGZWGZNETXWKA-APWZRJJASA-N 2 2 378.442 3.807 20 0 GHADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000569769624 898940709 /nfs/dbraw/zinc/94/07/09/898940709.db2.gz NTGZWGZNETXWKA-APWZRJJASA-N 2 2 378.442 3.807 20 0 GHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000569769624 898940714 /nfs/dbraw/zinc/94/07/14/898940714.db2.gz NTGZWGZNETXWKA-APWZRJJASA-N 2 2 378.442 3.807 20 0 GHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000569769624 898940720 /nfs/dbraw/zinc/94/07/20/898940720.db2.gz NTGZWGZNETXWKA-APWZRJJASA-N 2 2 378.442 3.807 20 0 GHADLP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001136699395 898956545 /nfs/dbraw/zinc/95/65/45/898956545.db2.gz WRUMUHKCUZBWDI-UHFFFAOYSA-N 2 2 376.504 3.702 20 0 GHADLP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001136699395 898956553 /nfs/dbraw/zinc/95/65/53/898956553.db2.gz WRUMUHKCUZBWDI-UHFFFAOYSA-N 2 2 376.504 3.702 20 0 GHADLP CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2ccccc2-n2cc[nH+]c2)[C@H](C(F)(F)F)C1 ZINC000570232832 899208343 /nfs/dbraw/zinc/20/83/43/899208343.db2.gz GLJLWKNMFHQLDN-ZIAGYGMSSA-N 2 2 380.414 3.720 20 0 GHADLP CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2ccccc2-n2cc[nH+]c2)[C@H](C(F)(F)F)C1 ZINC000570232832 899208354 /nfs/dbraw/zinc/20/83/54/899208354.db2.gz GLJLWKNMFHQLDN-ZIAGYGMSSA-N 2 2 380.414 3.720 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000570289870 899243756 /nfs/dbraw/zinc/24/37/56/899243756.db2.gz VOUHXOXPOREQEL-GFCCVEGCSA-N 2 2 384.705 3.704 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000570289870 899243768 /nfs/dbraw/zinc/24/37/68/899243768.db2.gz VOUHXOXPOREQEL-GFCCVEGCSA-N 2 2 384.705 3.704 20 0 GHADLP [NH3+]C[C@H]1C[N@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)CC12CCOCC2 ZINC000570688366 899508644 /nfs/dbraw/zinc/50/86/44/899508644.db2.gz ZKFFHDVZCAZZTR-INIZCTEOSA-N 2 2 391.968 3.575 20 0 GHADLP [NH3+]C[C@H]1C[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)CC12CCOCC2 ZINC000570688366 899508651 /nfs/dbraw/zinc/50/86/51/899508651.db2.gz ZKFFHDVZCAZZTR-INIZCTEOSA-N 2 2 391.968 3.575 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1)Cn1cc[nH+]c1 ZINC001136893030 899663445 /nfs/dbraw/zinc/66/34/45/899663445.db2.gz MWQISSJDNCCIOR-WTIAFYNJSA-N 2 2 394.563 3.574 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1)Cn1cc[nH+]c1 ZINC001136893030 899663451 /nfs/dbraw/zinc/66/34/51/899663451.db2.gz MWQISSJDNCCIOR-WTIAFYNJSA-N 2 2 394.563 3.574 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)c1cccc(C(F)(F)F)c1 ZINC000570977883 899695428 /nfs/dbraw/zinc/69/54/28/899695428.db2.gz JWFWVKDFIFAGNR-MRXNPFEDSA-N 2 2 391.397 3.778 20 0 GHADLP CC[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)NC(=O)OC(C)(C)C ZINC000824666675 899752372 /nfs/dbraw/zinc/75/23/72/899752372.db2.gz OAABVVALANFXMQ-KRWDZBQOSA-N 2 2 390.572 3.614 20 0 GHADLP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824875579 899879812 /nfs/dbraw/zinc/87/98/12/899879812.db2.gz NDQMDFFZYBMGLU-OXJNMPFZSA-N 2 2 382.556 3.636 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000825257055 900054372 /nfs/dbraw/zinc/05/43/72/900054372.db2.gz SGMHDKAZPFNNFU-RDJZCZTQSA-N 2 2 388.487 3.794 20 0 GHADLP CSc1nc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)cc(N2CCCC2)[nH+]1 ZINC001171091482 900197090 /nfs/dbraw/zinc/19/70/90/900197090.db2.gz RHVZWOUVEBUBQN-CQSZACIVSA-N 2 2 379.533 3.559 20 0 GHADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000573397918 900494778 /nfs/dbraw/zinc/49/47/78/900494778.db2.gz KJKRRGNGNIVFCQ-WBVHZDCISA-N 2 2 384.549 3.758 20 0 GHADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000573397918 900494782 /nfs/dbraw/zinc/49/47/82/900494782.db2.gz KJKRRGNGNIVFCQ-WBVHZDCISA-N 2 2 384.549 3.758 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000844221912 900588697 /nfs/dbraw/zinc/58/86/97/900588697.db2.gz YITWMGIIMUDNKO-MQVJKMGUSA-N 2 2 376.298 3.948 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000844221912 900588707 /nfs/dbraw/zinc/58/87/07/900588707.db2.gz YITWMGIIMUDNKO-MQVJKMGUSA-N 2 2 376.298 3.948 20 0 GHADLP CC[C@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000574242613 900832957 /nfs/dbraw/zinc/83/29/57/900832957.db2.gz HOVRAFNJJWIEDM-IBGZPJMESA-N 2 2 399.560 3.831 20 0 GHADLP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc(N4CCCC4)cc3)CC2)[nH+]c1C ZINC000886664785 901215899 /nfs/dbraw/zinc/21/58/99/901215899.db2.gz XOOGFGNIDKFEEO-SFHVURJKSA-N 2 2 395.551 3.833 20 0 GHADLP C[N@H+](Cc1ccc(OC(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080987441 901308656 /nfs/dbraw/zinc/30/86/56/901308656.db2.gz LEZBHOHRJRVAIF-UHFFFAOYSA-N 2 2 375.463 3.822 20 0 GHADLP C[N@@H+](Cc1ccc(OC(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080987441 901308674 /nfs/dbraw/zinc/30/86/74/901308674.db2.gz LEZBHOHRJRVAIF-UHFFFAOYSA-N 2 2 375.463 3.822 20 0 GHADLP O=C(NC1CC1)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000576201204 901801010 /nfs/dbraw/zinc/80/10/10/901801010.db2.gz RPVMTXQKQNPMQH-URXFXBBRSA-N 2 2 391.559 3.898 20 0 GHADLP O=C(NC1CC1)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000576201204 901801023 /nfs/dbraw/zinc/80/10/23/901801023.db2.gz RPVMTXQKQNPMQH-URXFXBBRSA-N 2 2 391.559 3.898 20 0 GHADLP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000576228025 901843832 /nfs/dbraw/zinc/84/38/32/901843832.db2.gz WNRVORIMIIBFHJ-NWDGAFQWSA-N 2 2 390.742 3.907 20 0 GHADLP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000576228025 901843843 /nfs/dbraw/zinc/84/38/43/901843843.db2.gz WNRVORIMIIBFHJ-NWDGAFQWSA-N 2 2 390.742 3.907 20 0 GHADLP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000290209450 914575210 /nfs/dbraw/zinc/57/52/10/914575210.db2.gz HETRIMLVEZHQPZ-QHCPKHFHSA-N 2 2 376.504 3.686 20 0 GHADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000333368909 902041619 /nfs/dbraw/zinc/04/16/19/902041619.db2.gz IPTWVJUHJOHLJJ-LJQANCHMSA-N 2 2 393.535 3.979 20 0 GHADLP CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000124893775 902133515 /nfs/dbraw/zinc/13/35/15/902133515.db2.gz FKVIFSZYQDKFCD-VXKWHMMOSA-N 2 2 386.584 3.614 20 0 GHADLP CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000124893775 902133526 /nfs/dbraw/zinc/13/35/26/902133526.db2.gz FKVIFSZYQDKFCD-VXKWHMMOSA-N 2 2 386.584 3.614 20 0 GHADLP C[C@H](CC(=O)Oc1cccc(C[N@@H+]2CCc3ccccc3C2)c1)n1cc[nH+]c1 ZINC000845719790 902345335 /nfs/dbraw/zinc/34/53/35/902345335.db2.gz DWEHOZIVIWVZEM-GOSISDBHSA-N 2 2 375.472 3.998 20 0 GHADLP C[C@H](CC(=O)Oc1cccc(C[N@H+]2CCc3ccccc3C2)c1)n1cc[nH+]c1 ZINC000845719790 902345344 /nfs/dbraw/zinc/34/53/44/902345344.db2.gz DWEHOZIVIWVZEM-GOSISDBHSA-N 2 2 375.472 3.998 20 0 GHADLP CCOc1c(OC)cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1OC ZINC000263657123 902360858 /nfs/dbraw/zinc/36/08/58/902360858.db2.gz GEZQFHZIUVZKOW-UHFFFAOYSA-N 2 2 381.476 3.637 20 0 GHADLP CN(C(=O)Nc1cccc(C2CC2)n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000577354296 902708805 /nfs/dbraw/zinc/70/88/05/902708805.db2.gz CFSWMZBILPQGRN-SFTDATJTSA-N 2 2 399.583 3.760 20 0 GHADLP CN(C(=O)Nc1cccc(C2CC2)n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000577354296 902708813 /nfs/dbraw/zinc/70/88/13/902708813.db2.gz CFSWMZBILPQGRN-SFTDATJTSA-N 2 2 399.583 3.760 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000577596931 902933294 /nfs/dbraw/zinc/93/32/94/902933294.db2.gz ZWNZBTDTBQVSPS-SBHAEUEKSA-N 2 2 382.552 3.806 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000130509658 902979372 /nfs/dbraw/zinc/97/93/72/902979372.db2.gz KGTKBASAUPRRBC-UHFFFAOYSA-N 2 2 399.720 3.568 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000130509658 902979396 /nfs/dbraw/zinc/97/93/96/902979396.db2.gz KGTKBASAUPRRBC-UHFFFAOYSA-N 2 2 399.720 3.568 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)CC1 ZINC000135267263 903651635 /nfs/dbraw/zinc/65/16/35/903651635.db2.gz YAZFLISHFQEJHX-XLIONFOSSA-N 2 2 394.531 3.535 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(Cl)cc1 ZINC001147103970 903698220 /nfs/dbraw/zinc/69/82/20/903698220.db2.gz PVLKGQAVYVRCOC-RTWAWAEBSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(Cl)cc1 ZINC001147103970 903698226 /nfs/dbraw/zinc/69/82/26/903698226.db2.gz PVLKGQAVYVRCOC-RTWAWAEBSA-N 2 2 385.939 3.724 20 0 GHADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000578472563 903877245 /nfs/dbraw/zinc/87/72/45/903877245.db2.gz FBIDODMQJRQPDY-IBGZPJMESA-N 2 2 377.492 3.710 20 0 GHADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000578472563 903877254 /nfs/dbraw/zinc/87/72/54/903877254.db2.gz FBIDODMQJRQPDY-IBGZPJMESA-N 2 2 377.492 3.710 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)cc1 ZINC000578837098 904164940 /nfs/dbraw/zinc/16/49/40/904164940.db2.gz PTZMFFYSEXCHDQ-DNVJHFABSA-N 2 2 397.563 3.547 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000153732020 904394046 /nfs/dbraw/zinc/39/40/46/904394046.db2.gz JKSSMISBWHPPKY-AWEZNQCLSA-N 2 2 387.480 3.574 20 0 GHADLP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000712463905 904467789 /nfs/dbraw/zinc/46/77/89/904467789.db2.gz UCIDFJWOMNANDG-KRWDZBQOSA-N 2 2 391.357 3.575 20 0 GHADLP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000712463905 904467792 /nfs/dbraw/zinc/46/77/92/904467792.db2.gz UCIDFJWOMNANDG-KRWDZBQOSA-N 2 2 391.357 3.575 20 0 GHADLP [NH3+]C[C@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CCCCC1 ZINC000579449084 904616128 /nfs/dbraw/zinc/61/61/28/904616128.db2.gz OWRSWWJOKGKHMB-FQEVSTJZSA-N 2 2 379.508 3.631 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)c1ccco1 ZINC000646775685 914834594 /nfs/dbraw/zinc/83/45/94/914834594.db2.gz NSTJVSHIKOKFBS-NRFANRHFSA-N 2 2 394.519 3.562 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)c1ccco1 ZINC000646775685 914834619 /nfs/dbraw/zinc/83/46/19/914834619.db2.gz NSTJVSHIKOKFBS-NRFANRHFSA-N 2 2 394.519 3.562 20 0 GHADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)c1ccc(Br)cc1 ZINC001171461072 904722667 /nfs/dbraw/zinc/72/26/67/904722667.db2.gz VSPFWNUTHRGISK-CRAIPNDOSA-N 2 2 381.264 3.874 20 0 GHADLP COc1cc(N(C2CC[NH2+]CC2)[C@H]2CCc3cc(F)c(F)c(F)c3C2)cc[nH+]1 ZINC001171547335 904820629 /nfs/dbraw/zinc/82/06/29/904820629.db2.gz QLFBCJVDBNOAAL-HNNXBMFYSA-N 2 2 391.437 3.623 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCOc2cc[nH+]cc2)C[C@@H]1C(C)(C)C ZINC001171600174 904863084 /nfs/dbraw/zinc/86/30/84/904863084.db2.gz FDCNXDDUIMHUHT-FUHWJXTLSA-N 2 2 377.529 3.864 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC12CCC2 ZINC001171838766 905088692 /nfs/dbraw/zinc/08/86/92/905088692.db2.gz JMTRRTPSPDNEHG-ZWKOTPCHSA-N 2 2 377.573 3.915 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC12CCC2 ZINC001171838766 905088713 /nfs/dbraw/zinc/08/87/13/905088713.db2.gz JMTRRTPSPDNEHG-ZWKOTPCHSA-N 2 2 377.573 3.915 20 0 GHADLP COC(=O)C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cccnc1 ZINC001171977201 905222705 /nfs/dbraw/zinc/22/27/05/905222705.db2.gz YIXWQMCMBJJMJL-NHCUHLMSSA-N 2 2 381.520 3.719 20 0 GHADLP COC(=O)C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cccnc1 ZINC001171977201 905222710 /nfs/dbraw/zinc/22/27/10/905222710.db2.gz YIXWQMCMBJJMJL-NHCUHLMSSA-N 2 2 381.520 3.719 20 0 GHADLP CC1(C)C[C@@H]([NH+]2CCN(c3ccc(Cl)nn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171986444 905245184 /nfs/dbraw/zinc/24/51/84/905245184.db2.gz ICQUWEZMEJUTQO-IBGZPJMESA-N 2 2 399.970 3.695 20 0 GHADLP CC1(C)C[C@@H]([NH+]2CCN(c3ccc(Cl)nn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171986444 905245197 /nfs/dbraw/zinc/24/51/97/905245197.db2.gz ICQUWEZMEJUTQO-IBGZPJMESA-N 2 2 399.970 3.695 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCN(C(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001172130284 905343557 /nfs/dbraw/zinc/34/35/57/905343557.db2.gz NJNDVHUVCAMXPW-PMOLBWCYSA-N 2 2 375.944 3.503 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCN(C(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001172130284 905343576 /nfs/dbraw/zinc/34/35/76/905343576.db2.gz NJNDVHUVCAMXPW-PMOLBWCYSA-N 2 2 375.944 3.503 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCN(C(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001172130284 905343596 /nfs/dbraw/zinc/34/35/96/905343596.db2.gz NJNDVHUVCAMXPW-PMOLBWCYSA-N 2 2 375.944 3.503 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCN(C(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001172130284 905343616 /nfs/dbraw/zinc/34/36/16/905343616.db2.gz NJNDVHUVCAMXPW-PMOLBWCYSA-N 2 2 375.944 3.503 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3cccc(OC(F)(F)F)c3)CC1)C2 ZINC001172133969 905346979 /nfs/dbraw/zinc/34/69/79/905346979.db2.gz UWWIPJXLVFGBOA-VQFNDLOPSA-N 2 2 383.458 3.723 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3cccc(OC(F)(F)F)c3)CC1)C2 ZINC001172133969 905346994 /nfs/dbraw/zinc/34/69/94/905346994.db2.gz UWWIPJXLVFGBOA-VQFNDLOPSA-N 2 2 383.458 3.723 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2CSc4ccccc4C2)CC3)cn1 ZINC001172202402 905397768 /nfs/dbraw/zinc/39/77/68/905397768.db2.gz SGBCNLNWSFMYHO-FQEVSTJZSA-N 2 2 382.577 3.568 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@@H]2CSc4ccccc4C2)CC3)cn1 ZINC001172202402 905397783 /nfs/dbraw/zinc/39/77/83/905397783.db2.gz SGBCNLNWSFMYHO-FQEVSTJZSA-N 2 2 382.577 3.568 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)CC1 ZINC001172210375 905410101 /nfs/dbraw/zinc/41/01/01/905410101.db2.gz GQJMHZDKALBOSR-LVIWNVNYSA-N 2 2 390.955 3.910 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@H]2CC[N@H+](C3CCC3)C2)CC1 ZINC001172210375 905410108 /nfs/dbraw/zinc/41/01/08/905410108.db2.gz GQJMHZDKALBOSR-LVIWNVNYSA-N 2 2 390.955 3.910 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@H]3CSc4ccccc4C3)CC2)cc1 ZINC001172198570 905432234 /nfs/dbraw/zinc/43/22/34/905432234.db2.gz QHJQUGDOWSPWPT-OAQYLSRUSA-N 2 2 396.556 3.744 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172537341 905641368 /nfs/dbraw/zinc/64/13/68/905641368.db2.gz PJEONSBVFFADJY-FKBYEOEOSA-N 2 2 380.536 3.536 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172537341 905641395 /nfs/dbraw/zinc/64/13/95/905641395.db2.gz PJEONSBVFFADJY-FKBYEOEOSA-N 2 2 380.536 3.536 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+]([C@@H]4CCC[C@@H](c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001172542278 905647132 /nfs/dbraw/zinc/64/71/32/905647132.db2.gz FMOHAHXCUNGKHE-MOUTVQLLSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4CCC[C@@H](c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001172542278 905647134 /nfs/dbraw/zinc/64/71/34/905647134.db2.gz FMOHAHXCUNGKHE-MOUTVQLLSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4CCC[C@@H](c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001172542278 905647140 /nfs/dbraw/zinc/64/71/40/905647140.db2.gz FMOHAHXCUNGKHE-MOUTVQLLSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4CCC[C@@H](c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001172542278 905647146 /nfs/dbraw/zinc/64/71/46/905647146.db2.gz FMOHAHXCUNGKHE-MOUTVQLLSA-N 2 2 378.564 3.900 20 0 GHADLP CO[C@@H]1CCC[C@H]([N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)C1 ZINC001172935755 906001147 /nfs/dbraw/zinc/00/11/47/906001147.db2.gz LIYAKKKHSVXCJA-ZCNNSNEGSA-N 2 2 379.495 3.572 20 0 GHADLP CO[C@@H]1CCC[C@H]([N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)C1 ZINC001172935755 906001166 /nfs/dbraw/zinc/00/11/66/906001166.db2.gz LIYAKKKHSVXCJA-ZCNNSNEGSA-N 2 2 379.495 3.572 20 0 GHADLP CO[C@@H]1CCC[C@H]([NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)C1 ZINC001172935755 906001183 /nfs/dbraw/zinc/00/11/83/906001183.db2.gz LIYAKKKHSVXCJA-ZCNNSNEGSA-N 2 2 379.495 3.572 20 0 GHADLP CO[C@@H]1CCC[C@H]([NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)C1 ZINC001172935755 906001202 /nfs/dbraw/zinc/00/12/02/906001202.db2.gz LIYAKKKHSVXCJA-ZCNNSNEGSA-N 2 2 379.495 3.572 20 0 GHADLP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@@H+]1C1CCC2(CCCCC2)CC1 ZINC001173119518 906207362 /nfs/dbraw/zinc/20/73/62/906207362.db2.gz QYMPCXUKSWWSAJ-HXUWFJFHSA-N 2 2 399.627 3.900 20 0 GHADLP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001173119518 906207374 /nfs/dbraw/zinc/20/73/74/906207374.db2.gz QYMPCXUKSWWSAJ-HXUWFJFHSA-N 2 2 399.627 3.900 20 0 GHADLP CN(CCCn1cc[nH+]c1)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000178092742 906285158 /nfs/dbraw/zinc/28/51/58/906285158.db2.gz VOYXWABHSAXKLK-UHFFFAOYSA-N 2 2 376.504 3.677 20 0 GHADLP CN(CCCn1cc[nH+]c1)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000178092742 906285183 /nfs/dbraw/zinc/28/51/83/906285183.db2.gz VOYXWABHSAXKLK-UHFFFAOYSA-N 2 2 376.504 3.677 20 0 GHADLP [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173685027 906644317 /nfs/dbraw/zinc/64/43/17/906644317.db2.gz DYJOMVJHIVFEOZ-LWXYIGGYSA-N 2 2 375.560 3.615 20 0 GHADLP CC(C)[N@H+](C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1)C1CC[NH+](C)CC1 ZINC001173782783 906706587 /nfs/dbraw/zinc/70/65/87/906706587.db2.gz ZFKJELRYMDVHEY-UHFFFAOYSA-N 2 2 395.950 3.888 20 0 GHADLP CC(C)[N@@H+](C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1)C1CC[NH+](C)CC1 ZINC001173782783 906706591 /nfs/dbraw/zinc/70/65/91/906706591.db2.gz ZFKJELRYMDVHEY-UHFFFAOYSA-N 2 2 395.950 3.888 20 0 GHADLP CC[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1F ZINC000180172747 906706933 /nfs/dbraw/zinc/70/69/33/906706933.db2.gz UDIXCWIFIUEPCC-QFIPXVFZSA-N 2 2 399.510 3.727 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000779403826 906788870 /nfs/dbraw/zinc/78/88/70/906788870.db2.gz JAHIINQXOAJVQK-HKUYNNGSSA-N 2 2 397.604 3.644 20 0 GHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629541647 906862109 /nfs/dbraw/zinc/86/21/09/906862109.db2.gz SZNYLHYEJGEWRP-NQBHXWOUSA-N 2 2 377.838 3.806 20 0 GHADLP c1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c(C[NH+]2CCCC2)c1 ZINC001174432801 907022220 /nfs/dbraw/zinc/02/22/20/907022220.db2.gz ZCSDMUMKSGWXRK-UHFFFAOYSA-N 2 2 381.520 3.737 20 0 GHADLP COCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000181589031 907033075 /nfs/dbraw/zinc/03/30/75/907033075.db2.gz ZFKGIMRVSQACND-MOPGFXCFSA-N 2 2 383.536 3.983 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000181588036 907033351 /nfs/dbraw/zinc/03/33/51/907033351.db2.gz BIYWKKCINXLQNH-ROUUACIJSA-N 2 2 394.519 3.914 20 0 GHADLP O=C(CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)NCc1ccccc1Cl ZINC001175669933 907681767 /nfs/dbraw/zinc/68/17/67/907681767.db2.gz WBADKFNMXJOKRS-FQEVSTJZSA-N 2 2 382.895 3.574 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1cccs1 ZINC000631475234 907724670 /nfs/dbraw/zinc/72/46/70/907724670.db2.gz JHTGYDFYVALRFT-PGRDOPGGSA-N 2 2 394.544 3.676 20 0 GHADLP C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1cccs1 ZINC000631475234 907724684 /nfs/dbraw/zinc/72/46/84/907724684.db2.gz JHTGYDFYVALRFT-PGRDOPGGSA-N 2 2 394.544 3.676 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2C(C)C)[C@H](C)C1 ZINC000187026318 908021987 /nfs/dbraw/zinc/02/19/87/908021987.db2.gz YLKDEEYYRDAPRI-TZIWHRDSSA-N 2 2 389.584 3.784 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2C(C)C)[C@H](C)C1 ZINC000187026318 908021998 /nfs/dbraw/zinc/02/19/98/908021998.db2.gz YLKDEEYYRDAPRI-TZIWHRDSSA-N 2 2 389.584 3.784 20 0 GHADLP O=C(CCn1cc[nH+]c1)N(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001176877574 908284352 /nfs/dbraw/zinc/28/43/52/908284352.db2.gz GYAIEKFNTJBGGN-HSZRJFAPSA-N 2 2 388.515 3.577 20 0 GHADLP O=C(CCn1cc[nH+]c1)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001176877574 908284367 /nfs/dbraw/zinc/28/43/67/908284367.db2.gz GYAIEKFNTJBGGN-HSZRJFAPSA-N 2 2 388.515 3.577 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC001177295039 908499029 /nfs/dbraw/zinc/49/90/29/908499029.db2.gz XDCNFLIEQBCZQN-QZTJIDSGSA-N 2 2 379.976 3.634 20 0 GHADLP CCOC(=O)[C@](C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000191635981 908654810 /nfs/dbraw/zinc/65/48/10/908654810.db2.gz RAOUNJDJWIFRMY-LJQANCHMSA-N 2 2 386.458 3.514 20 0 GHADLP CCCOc1c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cccc1OCC ZINC001177804784 908764492 /nfs/dbraw/zinc/76/44/92/908764492.db2.gz RTMMFJRSPPCCOC-FQEVSTJZSA-N 2 2 376.541 3.607 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3nc4cc(F)ccc4o3)cc2)C[C@@H](C)O1 ZINC000634950882 909089330 /nfs/dbraw/zinc/08/93/30/909089330.db2.gz GLUIUCKLWGXYDE-HZPDHXFCSA-N 2 2 383.467 3.866 20 0 GHADLP C[C@@H]([NH2+]Cc1nc2cc(F)ccc2o1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000634960415 909091600 /nfs/dbraw/zinc/09/16/00/909091600.db2.gz RBRDHVVBMIPMRR-CQSZACIVSA-N 2 2 386.446 3.709 20 0 GHADLP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000267698306 909592743 /nfs/dbraw/zinc/59/27/43/909592743.db2.gz GKWNRBAZKOXXNJ-UHFFFAOYSA-N 2 2 396.457 3.668 20 0 GHADLP Cc1cc(F)c(C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)c(F)c1 ZINC001179662930 909655337 /nfs/dbraw/zinc/65/53/37/909655337.db2.gz YOZZALNYJTXXGK-UHFFFAOYSA-N 2 2 384.373 3.946 20 0 GHADLP Fc1cccc(/C=C/C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001179989790 909856740 /nfs/dbraw/zinc/85/67/40/909856740.db2.gz WMYRUJXRXHKAJK-ZMTJCJBESA-N 2 2 394.538 3.768 20 0 GHADLP Fc1cccc(/C=C/C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001179989790 909856748 /nfs/dbraw/zinc/85/67/48/909856748.db2.gz WMYRUJXRXHKAJK-ZMTJCJBESA-N 2 2 394.538 3.768 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1OC ZINC000268776342 910010463 /nfs/dbraw/zinc/01/04/63/910010463.db2.gz ROCPXDBMGSFSDY-SFHVURJKSA-N 2 2 395.503 3.816 20 0 GHADLP C[C@@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000269003449 910098027 /nfs/dbraw/zinc/09/80/27/910098027.db2.gz PTOYVZFNVFKXGE-QGZVFWFLSA-N 2 2 380.467 3.699 20 0 GHADLP CN1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C[C@@H]1c1ccc(Br)cc1 ZINC000638404616 910148449 /nfs/dbraw/zinc/14/84/49/910148449.db2.gz HLXROECNCHXOQT-RTBURBONSA-N 2 2 391.357 3.851 20 0 GHADLP CO[C@@H](C[N@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)[C@H]1CCOC1 ZINC000639167905 910336937 /nfs/dbraw/zinc/33/69/37/910336937.db2.gz MLZQZOSIYRUMLF-JXFKEZNVSA-N 2 2 395.906 3.619 20 0 GHADLP CO[C@@H](C[N@@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)[C@H]1CCOC1 ZINC000639167905 910336955 /nfs/dbraw/zinc/33/69/55/910336955.db2.gz MLZQZOSIYRUMLF-JXFKEZNVSA-N 2 2 395.906 3.619 20 0 GHADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)cn2)cn1 ZINC000246542025 910365528 /nfs/dbraw/zinc/36/55/28/910365528.db2.gz ASMLYEOMVTVKBO-XZOQPEGZSA-N 2 2 387.531 3.754 20 0 GHADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)cn2)cn1 ZINC000246542025 910365537 /nfs/dbraw/zinc/36/55/37/910365537.db2.gz ASMLYEOMVTVKBO-XZOQPEGZSA-N 2 2 387.531 3.754 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)cn2)cn1 ZINC000246542025 910365545 /nfs/dbraw/zinc/36/55/45/910365545.db2.gz ASMLYEOMVTVKBO-XZOQPEGZSA-N 2 2 387.531 3.754 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)cn2)cn1 ZINC000246542025 910365558 /nfs/dbraw/zinc/36/55/58/910365558.db2.gz ASMLYEOMVTVKBO-XZOQPEGZSA-N 2 2 387.531 3.754 20 0 GHADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001180816249 910385673 /nfs/dbraw/zinc/38/56/73/910385673.db2.gz YJQIUDNGQFYBKT-LSDHHAIUSA-N 2 2 398.378 3.756 20 0 GHADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001180816249 910385692 /nfs/dbraw/zinc/38/56/92/910385692.db2.gz YJQIUDNGQFYBKT-LSDHHAIUSA-N 2 2 398.378 3.756 20 0 GHADLP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270205070 910480028 /nfs/dbraw/zinc/48/00/28/910480028.db2.gz FNWCLPJMCGSSSA-GOSISDBHSA-N 2 2 379.508 3.550 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001181244433 910625713 /nfs/dbraw/zinc/62/57/13/910625713.db2.gz SNQMVZAJXNXOFR-LJQANCHMSA-N 2 2 399.579 3.943 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001181244433 910625720 /nfs/dbraw/zinc/62/57/20/910625720.db2.gz SNQMVZAJXNXOFR-LJQANCHMSA-N 2 2 399.579 3.943 20 0 GHADLP CC1(C)CCC[N@@H+]1CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000639890086 910721654 /nfs/dbraw/zinc/72/16/54/910721654.db2.gz NYLBVUUEUILCLM-UHFFFAOYSA-N 2 2 379.508 3.598 20 0 GHADLP CC1(C)CCC[N@H+]1CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000639890086 910721663 /nfs/dbraw/zinc/72/16/63/910721663.db2.gz NYLBVUUEUILCLM-UHFFFAOYSA-N 2 2 379.508 3.598 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000271047542 910766719 /nfs/dbraw/zinc/76/67/19/910766719.db2.gz SAGRNAFWLSLEMR-UHFFFAOYSA-N 2 2 383.536 3.974 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000271047542 910766728 /nfs/dbraw/zinc/76/67/28/910766728.db2.gz SAGRNAFWLSLEMR-UHFFFAOYSA-N 2 2 383.536 3.974 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1Br ZINC000271516941 910940001 /nfs/dbraw/zinc/94/00/01/910940001.db2.gz OSKKSSXUNYOGDO-IGNZVWTISA-N 2 2 385.321 3.617 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)C[C@H]1C)c1ccccc1Cl ZINC001182220387 911311934 /nfs/dbraw/zinc/31/19/34/911311934.db2.gz AZHQMZAXRCOBMT-AHRSYUTCSA-N 2 2 379.976 3.958 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@H]1C)c1ccccc1Cl ZINC001182220387 911311953 /nfs/dbraw/zinc/31/19/53/911311953.db2.gz AZHQMZAXRCOBMT-AHRSYUTCSA-N 2 2 379.976 3.958 20 0 GHADLP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ncc(C(F)(F)F)s3)cc2)CC1 ZINC000283797720 911650712 /nfs/dbraw/zinc/65/07/12/911650712.db2.gz ACHFHHRFLHBFGX-UHFFFAOYSA-N 2 2 385.455 3.925 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCc1cccs1 ZINC000647241717 915098697 /nfs/dbraw/zinc/09/86/97/915098697.db2.gz VWDVVOUBNUSUBX-FPOVZHCZSA-N 2 2 397.588 3.930 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCc1cccs1 ZINC000647241717 915098716 /nfs/dbraw/zinc/09/87/16/915098716.db2.gz VWDVVOUBNUSUBX-FPOVZHCZSA-N 2 2 397.588 3.930 20 0 GHADLP CCOc1c(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(C)nn1CC(C)C ZINC000647248731 915104859 /nfs/dbraw/zinc/10/48/59/915104859.db2.gz XYNJITIRXIZWGU-IRLDBZIGSA-N 2 2 384.568 3.681 20 0 GHADLP CCOc1c(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(C)nn1CC(C)C ZINC000647248731 915104866 /nfs/dbraw/zinc/10/48/66/915104866.db2.gz XYNJITIRXIZWGU-IRLDBZIGSA-N 2 2 384.568 3.681 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647288081 915137308 /nfs/dbraw/zinc/13/73/08/915137308.db2.gz JGPOOUBQJTWGMQ-QZTJIDSGSA-N 2 2 399.558 3.912 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nnn1-c1ccccc1 ZINC000647343881 915163014 /nfs/dbraw/zinc/16/30/14/915163014.db2.gz FFGPWYAOCZKJLK-ZNLUXHQJSA-N 2 2 375.520 3.572 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)nnn1-c1ccccc1 ZINC000647343881 915163017 /nfs/dbraw/zinc/16/30/17/915163017.db2.gz FFGPWYAOCZKJLK-ZNLUXHQJSA-N 2 2 375.520 3.572 20 0 GHADLP Cc1c([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nnn1-c1ccc(F)cc1 ZINC000647343996 915165029 /nfs/dbraw/zinc/16/50/29/915165029.db2.gz HMLKTAHEFWZJPM-NBCNXNJRSA-N 2 2 393.510 3.711 20 0 GHADLP Cc1c([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)nnn1-c1ccc(F)cc1 ZINC000647343996 915165049 /nfs/dbraw/zinc/16/50/49/915165049.db2.gz HMLKTAHEFWZJPM-NBCNXNJRSA-N 2 2 393.510 3.711 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000647899382 915430979 /nfs/dbraw/zinc/43/09/79/915430979.db2.gz IZTXGKPZCMSIOQ-HJOGWXRNSA-N 2 2 391.559 3.551 20 0 GHADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000647899382 915430989 /nfs/dbraw/zinc/43/09/89/915430989.db2.gz IZTXGKPZCMSIOQ-HJOGWXRNSA-N 2 2 391.559 3.551 20 0 GHADLP CN(C(=O)C(C)(C)c1cccc2ccccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648310843 915610469 /nfs/dbraw/zinc/61/04/69/915610469.db2.gz QVQHJPMWIOMOBA-NRFANRHFSA-N 2 2 393.575 3.744 20 0 GHADLP CN(C(=O)C(C)(C)c1cccc2ccccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648310843 915610473 /nfs/dbraw/zinc/61/04/73/915610473.db2.gz QVQHJPMWIOMOBA-NRFANRHFSA-N 2 2 393.575 3.744 20 0 GHADLP C[C@@H](C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000648462550 915708230 /nfs/dbraw/zinc/70/82/30/915708230.db2.gz JJDBUXWFJUTPFE-UWJYYQICSA-N 2 2 397.544 3.501 20 0 GHADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc(N2CCCC2)n1 ZINC000293688487 916330944 /nfs/dbraw/zinc/33/09/44/916330944.db2.gz NONOHFDBJIEYAS-TZIWHRDSSA-N 2 2 379.552 3.528 20 0 GHADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc(N2CCCC2)n1 ZINC000293688487 916330965 /nfs/dbraw/zinc/33/09/65/916330965.db2.gz NONOHFDBJIEYAS-TZIWHRDSSA-N 2 2 379.552 3.528 20 0 GHADLP CC1(C)CN(C(=O)CCCn2cc[nH+]c2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000650673084 917223692 /nfs/dbraw/zinc/22/36/92/917223692.db2.gz OCRLVZHMIGJGPR-QHCPKHFHSA-N 2 2 394.563 3.813 20 0 GHADLP c1ccc(CCCC[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC001190643100 917471385 /nfs/dbraw/zinc/47/13/85/917471385.db2.gz IUSOZBDCGVEQOR-DEOSSOPVSA-N 2 2 392.591 3.939 20 0 GHADLP c1ccc(CCCC[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC001190643100 917471390 /nfs/dbraw/zinc/47/13/90/917471390.db2.gz IUSOZBDCGVEQOR-DEOSSOPVSA-N 2 2 392.591 3.939 20 0 GHADLP CC[N@H+](CCCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000651220260 917522756 /nfs/dbraw/zinc/52/27/56/917522756.db2.gz YVDRNQPSTXQYRD-QUCCMNQESA-N 2 2 375.561 3.520 20 0 GHADLP CC[N@@H+](CCCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000651220260 917522768 /nfs/dbraw/zinc/52/27/68/917522768.db2.gz YVDRNQPSTXQYRD-QUCCMNQESA-N 2 2 375.561 3.520 20 0 GHADLP C[C@H](c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1)C(F)(F)F ZINC000653354669 918227899 /nfs/dbraw/zinc/22/78/99/918227899.db2.gz OOAMIKNHGFOGNH-DNVCBOLYSA-N 2 2 397.485 3.593 20 0 GHADLP C[C@H](c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1)C(F)(F)F ZINC000653354669 918227916 /nfs/dbraw/zinc/22/79/16/918227916.db2.gz OOAMIKNHGFOGNH-DNVCBOLYSA-N 2 2 397.485 3.593 20 0 GHADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1Cl ZINC000364455127 919475192 /nfs/dbraw/zinc/47/51/92/919475192.db2.gz ZYHGSLZFUUFGTN-FXAWDEMLSA-N 2 2 379.976 3.585 20 0 GHADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1Cl ZINC000364455127 919475201 /nfs/dbraw/zinc/47/52/01/919475201.db2.gz ZYHGSLZFUUFGTN-FXAWDEMLSA-N 2 2 379.976 3.585 20 0 GHADLP C[C@H](C[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)NC(=O)OC(C)(C)C ZINC000367395414 922081023 /nfs/dbraw/zinc/08/10/23/922081023.db2.gz BJTGCLZODWWEBU-KZNAEPCWSA-N 2 2 390.572 3.888 20 0 GHADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000367614617 922230595 /nfs/dbraw/zinc/23/05/95/922230595.db2.gz IKGZDORKORXBHP-QFIPXVFZSA-N 2 2 376.504 3.739 20 0 GHADLP Cc1ccc(-n2c(Cl)c(C[NH+]3CCC(C[NH+](C)C)CC3)nc2N(C)C)cc1 ZINC000802637947 922277730 /nfs/dbraw/zinc/27/77/30/922277730.db2.gz GHJIZDDEZTYUMO-UHFFFAOYSA-N 2 2 389.975 3.674 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902749241 922461361 /nfs/dbraw/zinc/46/13/61/922461361.db2.gz RFYUSEIYVITWNV-OTWHNJEPSA-N 2 2 391.519 3.732 20 0 GHADLP COc1ccc(C[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccc(OC)cc2)cc1 ZINC000368102420 922475837 /nfs/dbraw/zinc/47/58/37/922475837.db2.gz OIZUFVNEUWBLDH-AVRDEDQJSA-N 2 2 377.488 3.858 20 0 GHADLP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903050044 922730028 /nfs/dbraw/zinc/73/00/28/922730028.db2.gz ONORMSXWBQHOSI-IBGZPJMESA-N 3 2 375.520 3.830 20 0 GHADLP CN(C)Cc1csc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000903222625 922866991 /nfs/dbraw/zinc/86/69/91/922866991.db2.gz GYGOQCHVEKXGQD-CEWLAPEOSA-N 2 2 384.593 3.595 20 0 GHADLP CN(C)Cc1csc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000903222625 922867000 /nfs/dbraw/zinc/86/70/00/922867000.db2.gz GYGOQCHVEKXGQD-CEWLAPEOSA-N 2 2 384.593 3.595 20 0 GHADLP CN(C)Cc1csc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000903222628 922868004 /nfs/dbraw/zinc/86/80/04/922868004.db2.gz GYGOQCHVEKXGQD-SESVDKBCSA-N 2 2 384.593 3.595 20 0 GHADLP CN(C)Cc1csc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000903222628 922868006 /nfs/dbraw/zinc/86/80/06/922868006.db2.gz GYGOQCHVEKXGQD-SESVDKBCSA-N 2 2 384.593 3.595 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903426324 923019199 /nfs/dbraw/zinc/01/91/99/923019199.db2.gz WYQWKRKMKOAERS-INIZCTEOSA-N 2 2 396.516 3.627 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]C[C@@H]3CCOc4ccccc43)CC2)cc1 ZINC000676901460 924138282 /nfs/dbraw/zinc/13/82/82/924138282.db2.gz ZITNLCAOEYFRRP-QHCPKHFHSA-N 2 2 393.575 3.740 20 0 GHADLP CN1C(=O)C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000677246551 924299314 /nfs/dbraw/zinc/29/93/14/924299314.db2.gz SXRJVLKVBMLMLC-FPOVZHCZSA-N 2 2 398.869 3.726 20 0 GHADLP CC(C)c1ccc([C@H]2CCCN2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677528207 924388853 /nfs/dbraw/zinc/38/88/53/924388853.db2.gz NCIKQNNLQFGVNN-FYYLOGMGSA-N 2 2 398.595 3.825 20 0 GHADLP CC(C)c1ccc([C@H]2CCCN2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677528207 924388864 /nfs/dbraw/zinc/38/88/64/924388864.db2.gz NCIKQNNLQFGVNN-FYYLOGMGSA-N 2 2 398.595 3.825 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000677653486 924440574 /nfs/dbraw/zinc/44/05/74/924440574.db2.gz AOANYHVQMJHGCA-SJORKVTESA-N 2 2 384.351 3.513 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000677653486 924440580 /nfs/dbraw/zinc/44/05/80/924440580.db2.gz AOANYHVQMJHGCA-SJORKVTESA-N 2 2 384.351 3.513 20 0 GHADLP Cc1ccc(-c2nc(C[NH+]3CCC(N4CC[NH+](C(C)C)CC4)CC3)cs2)o1 ZINC000677739010 924474730 /nfs/dbraw/zinc/47/47/30/924474730.db2.gz WYWBWTAMSURULV-UHFFFAOYSA-N 2 2 388.581 3.702 20 0 GHADLP O[C@@H]([C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000679042957 925008401 /nfs/dbraw/zinc/00/84/01/925008401.db2.gz IXBXHLFJDHLVDY-UXHICEINSA-N 2 2 384.486 3.908 20 0 GHADLP CCCCCn1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000679101465 925029381 /nfs/dbraw/zinc/02/93/81/925029381.db2.gz KTRUGRFQBSTKON-IBGZPJMESA-N 2 2 396.579 3.730 20 0 GHADLP CCCCCn1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000679101465 925029394 /nfs/dbraw/zinc/02/93/94/925029394.db2.gz KTRUGRFQBSTKON-IBGZPJMESA-N 2 2 396.579 3.730 20 0 GHADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)oc21 ZINC000680405677 925469688 /nfs/dbraw/zinc/46/96/88/925469688.db2.gz CBYHNRBEXCMZCL-FXAWDEMLSA-N 2 2 382.504 3.975 20 0 GHADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)oc21 ZINC000680405677 925469694 /nfs/dbraw/zinc/46/96/94/925469694.db2.gz CBYHNRBEXCMZCL-FXAWDEMLSA-N 2 2 382.504 3.975 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000410315233 925524748 /nfs/dbraw/zinc/52/47/48/925524748.db2.gz TWIUBAGMEYPRTM-UHFFFAOYSA-N 2 2 392.547 3.988 20 0 GHADLP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000680964317 925669808 /nfs/dbraw/zinc/66/98/08/925669808.db2.gz ASGRNCQCGQZEOZ-UHFFFAOYSA-N 2 2 383.561 3.692 20 0 GHADLP CN(C(=O)N[C@H]1CCC(C)(C)c2ccccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681214972 925763635 /nfs/dbraw/zinc/76/36/35/925763635.db2.gz LQJFAGJZEYSXLP-UGKGYDQZSA-N 2 2 398.595 3.609 20 0 GHADLP CN(C(=O)N[C@H]1CCC(C)(C)c2ccccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681214972 925763643 /nfs/dbraw/zinc/76/36/43/925763643.db2.gz LQJFAGJZEYSXLP-UGKGYDQZSA-N 2 2 398.595 3.609 20 0 GHADLP Brc1cccc([C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C2CCOCC2)c1 ZINC000682436644 926115031 /nfs/dbraw/zinc/11/50/31/926115031.db2.gz KNONKVXQKRWQRB-UXHICEINSA-N 2 2 393.369 3.991 20 0 GHADLP Brc1cccc([C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C2CCOCC2)c1 ZINC000682436644 926115034 /nfs/dbraw/zinc/11/50/34/926115034.db2.gz KNONKVXQKRWQRB-UXHICEINSA-N 2 2 393.369 3.991 20 0 GHADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373491095 926189137 /nfs/dbraw/zinc/18/91/37/926189137.db2.gz TYBVPLKWFDWSKA-ZLPCBKJTSA-N 2 2 389.506 3.563 20 0 GHADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411211072 926211983 /nfs/dbraw/zinc/21/19/83/926211983.db2.gz HIXYOSFNZFKXRO-UHFFFAOYSA-N 2 2 393.531 3.757 20 0 GHADLP COC(=O)C[C@](C)([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccccn1 ZINC000411558774 926521014 /nfs/dbraw/zinc/52/10/14/926521014.db2.gz GCCVDGQINDQMDR-QHCPKHFHSA-N 2 2 381.520 3.636 20 0 GHADLP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000411579967 926532721 /nfs/dbraw/zinc/53/27/21/926532721.db2.gz FLPJEVSZWFEGCO-UWJYYQICSA-N 2 2 386.927 3.688 20 0 GHADLP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000411579967 926532730 /nfs/dbraw/zinc/53/27/30/926532730.db2.gz FLPJEVSZWFEGCO-UWJYYQICSA-N 2 2 386.927 3.688 20 0 GHADLP C[NH+](CCC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000411579967 926532748 /nfs/dbraw/zinc/53/27/48/926532748.db2.gz FLPJEVSZWFEGCO-UWJYYQICSA-N 2 2 386.927 3.688 20 0 GHADLP C[NH+](CCC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000411579967 926532757 /nfs/dbraw/zinc/53/27/57/926532757.db2.gz FLPJEVSZWFEGCO-UWJYYQICSA-N 2 2 386.927 3.688 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)C1 ZINC000749479526 927126818 /nfs/dbraw/zinc/12/68/18/927126818.db2.gz DWUHEHOEWWUBTH-HXUWFJFHSA-N 2 2 382.508 3.846 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)C1 ZINC000749479526 927126823 /nfs/dbraw/zinc/12/68/23/927126823.db2.gz DWUHEHOEWWUBTH-HXUWFJFHSA-N 2 2 382.508 3.846 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2cccnc2Cl)c(C)c1 ZINC000749605924 927210266 /nfs/dbraw/zinc/21/02/66/927210266.db2.gz PWMIEBNEKJCYTL-APWZRJJASA-N 2 2 397.910 3.906 20 0 GHADLP O=C1[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCN1c1cccc(Cl)c1 ZINC000749881939 927329702 /nfs/dbraw/zinc/32/97/02/927329702.db2.gz AZNSIEAIBRWPRU-QFIPXVFZSA-N 2 2 397.950 3.742 20 0 GHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(I)c1 ZINC000380187747 928271637 /nfs/dbraw/zinc/27/16/37/928271637.db2.gz OPDDGUJTXSVAKR-OAHLLOKOSA-N 2 2 383.277 3.692 20 0 GHADLP O=S(=O)(CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000752068062 928582037 /nfs/dbraw/zinc/58/20/37/928582037.db2.gz GNSDKMGPVFEHCX-UHFFFAOYSA-N 2 2 399.000 3.702 20 0 GHADLP COc1cc(-c2noc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)n2)ccc1C ZINC000543988828 928651982 /nfs/dbraw/zinc/65/19/82/928651982.db2.gz JIYGLFXGDPDFTF-UHFFFAOYSA-N 2 2 395.507 3.943 20 0 GHADLP CN(C(=O)Nc1cccc(Cl)n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000752696323 928985972 /nfs/dbraw/zinc/98/59/72/928985972.db2.gz LRVHSEMKVVIRMI-IRXDYDNUSA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1cccc(Cl)n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000752696323 928985984 /nfs/dbraw/zinc/98/59/84/928985984.db2.gz LRVHSEMKVVIRMI-IRXDYDNUSA-N 2 2 393.963 3.536 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3(C[NH+](C)C)CCCC3)n2)C1 ZINC000546125436 929878451 /nfs/dbraw/zinc/87/84/51/929878451.db2.gz GHADQYDUVLVDQH-MRXNPFEDSA-N 2 2 393.601 3.619 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3(C[NH+](C)C)CCCC3)n2)C1 ZINC000546125436 929878454 /nfs/dbraw/zinc/87/84/54/929878454.db2.gz GHADQYDUVLVDQH-MRXNPFEDSA-N 2 2 393.601 3.619 20 0 GHADLP FC(F)C(F)(F)COCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000469728599 930116749 /nfs/dbraw/zinc/11/67/49/930116749.db2.gz MCABBDOHDOSMAD-LJQANCHMSA-N 2 2 388.449 3.892 20 0 GHADLP FC(F)C(F)(F)COCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000469728599 930116753 /nfs/dbraw/zinc/11/67/53/930116753.db2.gz MCABBDOHDOSMAD-LJQANCHMSA-N 2 2 388.449 3.892 20 0 GHADLP FC(F)C(F)(F)COCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000469728599 930116757 /nfs/dbraw/zinc/11/67/57/930116757.db2.gz MCABBDOHDOSMAD-LJQANCHMSA-N 2 2 388.449 3.892 20 0 GHADLP FC(F)C(F)(F)COCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000469728599 930116758 /nfs/dbraw/zinc/11/67/58/930116758.db2.gz MCABBDOHDOSMAD-LJQANCHMSA-N 2 2 388.449 3.892 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000469764598 930146286 /nfs/dbraw/zinc/14/62/86/930146286.db2.gz OUVPYWLITNVIFZ-FOIQADDNSA-N 2 2 380.879 3.982 20 0 GHADLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccnn1-c1ccccc1 ZINC000547396589 930979255 /nfs/dbraw/zinc/97/92/55/930979255.db2.gz ZVVXLZYNOOSYLO-NZQKXSOJSA-N 2 2 389.547 3.512 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(Br)n1 ZINC000924708554 931481878 /nfs/dbraw/zinc/48/18/78/931481878.db2.gz ZMDQBBJMTWZORV-OAHLLOKOSA-N 2 2 390.325 3.527 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1nc(Br)ccc1F ZINC000924861673 931565229 /nfs/dbraw/zinc/56/52/29/931565229.db2.gz KXZUPVZETTYTFQ-CYBMUJFWSA-N 2 2 396.304 3.774 20 0 GHADLP COCCC[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000924911891 931582649 /nfs/dbraw/zinc/58/26/49/931582649.db2.gz JFRQPLNILNSPOB-CWAQXLGLSA-N 3 2 385.596 3.663 20 0 GHADLP COCCC[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000924911891 931582654 /nfs/dbraw/zinc/58/26/54/931582654.db2.gz JFRQPLNILNSPOB-CWAQXLGLSA-N 3 2 385.596 3.663 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2cn3c(n2)CCCC3)CC1 ZINC000924962337 931595765 /nfs/dbraw/zinc/59/57/65/931595765.db2.gz SFNPAHHPQKAPMB-QZTJIDSGSA-N 2 2 399.558 3.912 20 0 GHADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000783977603 931738105 /nfs/dbraw/zinc/73/81/05/931738105.db2.gz VANPTQILEKFLDL-UYAOXDASSA-N 2 2 380.536 3.828 20 0 GHADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000783977603 931738111 /nfs/dbraw/zinc/73/81/11/931738111.db2.gz VANPTQILEKFLDL-UYAOXDASSA-N 2 2 380.536 3.828 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(Br)n1 ZINC000925936262 931966778 /nfs/dbraw/zinc/96/67/78/931966778.db2.gz LIQZYTCPWZZLGJ-DZGCQCFKSA-N 2 2 390.329 3.553 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)NCc3ccccc3)C2)s1 ZINC000558396654 931977515 /nfs/dbraw/zinc/97/75/15/931977515.db2.gz FDHPWCITRPUNGL-UYAOXDASSA-N 2 2 385.577 3.515 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)NCc3ccccc3)C2)s1 ZINC000558396654 931977522 /nfs/dbraw/zinc/97/75/22/931977522.db2.gz FDHPWCITRPUNGL-UYAOXDASSA-N 2 2 385.577 3.515 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NCc3ccccc3)C2)s1 ZINC000558396654 931977530 /nfs/dbraw/zinc/97/75/30/931977530.db2.gz FDHPWCITRPUNGL-UYAOXDASSA-N 2 2 385.577 3.515 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NCc3ccccc3)C2)s1 ZINC000558396654 931977531 /nfs/dbraw/zinc/97/75/31/931977531.db2.gz FDHPWCITRPUNGL-UYAOXDASSA-N 2 2 385.577 3.515 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)[C@@H](C2CCCC2)C1 ZINC000926230406 932090950 /nfs/dbraw/zinc/09/09/50/932090950.db2.gz UGAKHFLSUWMTTF-OTWHNJEPSA-N 2 2 388.556 3.603 20 0 GHADLP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796938184 932115194 /nfs/dbraw/zinc/11/51/94/932115194.db2.gz LCEPJZHVIZXYGK-MRXNPFEDSA-N 2 2 376.545 3.623 20 0 GHADLP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000797086496 932176780 /nfs/dbraw/zinc/17/67/80/932176780.db2.gz PRLFQXVQUCIYAR-FYYLOGMGSA-N 2 2 386.499 3.688 20 0 GHADLP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000797086496 932176783 /nfs/dbraw/zinc/17/67/83/932176783.db2.gz PRLFQXVQUCIYAR-FYYLOGMGSA-N 2 2 386.499 3.688 20 0 GHADLP CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000558738424 932202732 /nfs/dbraw/zinc/20/27/32/932202732.db2.gz QYLVPGRXRZLGBH-QFIPXVFZSA-N 2 2 379.548 3.535 20 0 GHADLP CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000558738424 932202738 /nfs/dbraw/zinc/20/27/38/932202738.db2.gz QYLVPGRXRZLGBH-QFIPXVFZSA-N 2 2 379.548 3.535 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000926925669 932351155 /nfs/dbraw/zinc/35/11/55/932351155.db2.gz DPJQINKGHFYSOU-YJBOKZPZSA-N 2 2 378.442 3.897 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000926925669 932351162 /nfs/dbraw/zinc/35/11/62/932351162.db2.gz DPJQINKGHFYSOU-YJBOKZPZSA-N 2 2 378.442 3.897 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000926925664 932351231 /nfs/dbraw/zinc/35/12/31/932351231.db2.gz DPJQINKGHFYSOU-MAUKXSAKSA-N 2 2 378.442 3.897 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000926925664 932351240 /nfs/dbraw/zinc/35/12/40/932351240.db2.gz DPJQINKGHFYSOU-MAUKXSAKSA-N 2 2 378.442 3.897 20 0 GHADLP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927074852 932400819 /nfs/dbraw/zinc/40/08/19/932400819.db2.gz FCFVXGJHOWKNQV-UHFFFAOYSA-N 2 2 378.520 3.784 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(Cl)cc1Br ZINC000560232183 933144959 /nfs/dbraw/zinc/14/49/59/933144959.db2.gz ZTXARJWLEKERDG-UHFFFAOYSA-N 2 2 388.781 3.560 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(Cl)cc1Br ZINC000560232183 933144966 /nfs/dbraw/zinc/14/49/66/933144966.db2.gz ZTXARJWLEKERDG-UHFFFAOYSA-N 2 2 388.781 3.560 20 0 GHADLP Cc1cc(C)n(-c2ccc(CC(=O)Nc3c[nH+]ccc3-n3cc[nH+]c3C)cc2)n1 ZINC001116065363 933314391 /nfs/dbraw/zinc/31/43/91/933314391.db2.gz OUPAZXHGAYYXDO-UHFFFAOYSA-N 2 2 386.459 3.559 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2)cc1)C[C@@H]1CCCCO1 ZINC001116469034 933576561 /nfs/dbraw/zinc/57/65/61/933576561.db2.gz QNAAFRNFVWUWSH-NQIIRXRSSA-N 2 2 384.524 3.862 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2)cc1)C[C@@H]1CCCCO1 ZINC001116469034 933576565 /nfs/dbraw/zinc/57/65/65/933576565.db2.gz QNAAFRNFVWUWSH-NQIIRXRSSA-N 2 2 384.524 3.862 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3ccc(-c4cnn(C)c4)cc3)CC2)nc(C(C)C)[nH+]1 ZINC001116875295 933806997 /nfs/dbraw/zinc/80/69/97/933806997.db2.gz DXNALUROQBHREZ-UHFFFAOYSA-N 2 2 390.535 3.631 20 0 GHADLP Cc1ccc([C@H](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+]2CCCC2)o1 ZINC000561215166 933965108 /nfs/dbraw/zinc/96/51/08/933965108.db2.gz AJPQOQVSWNZSOD-PMACEKPBSA-N 2 2 392.503 3.786 20 0 GHADLP C[NH+]1CCC2(CCN2C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000931090443 934372712 /nfs/dbraw/zinc/37/27/12/934372712.db2.gz IKUVHLHDELRIDI-UHFFFAOYSA-N 2 2 379.508 3.588 20 0 GHADLP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000562020437 934638152 /nfs/dbraw/zinc/63/81/52/934638152.db2.gz VGSHXWVRMPDDAF-INIZCTEOSA-N 2 2 389.858 3.503 20 0 GHADLP CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000562166652 934741524 /nfs/dbraw/zinc/74/15/24/934741524.db2.gz VDDKDOJXJNPDAS-UHFFFAOYSA-N 2 2 399.539 3.692 20 0 GHADLP Cc1cccc(C)c1C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001137854505 935826911 /nfs/dbraw/zinc/82/69/11/935826911.db2.gz ZJIZMSPZPPMTIB-IBGZPJMESA-N 2 2 387.568 3.867 20 0 GHADLP Cc1cccc(C)c1C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001137854505 935826915 /nfs/dbraw/zinc/82/69/15/935826915.db2.gz ZJIZMSPZPPMTIB-IBGZPJMESA-N 2 2 387.568 3.867 20 0 GHADLP CC[N@H+](Cc1nc(C(C)C)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000374180174 1015060933 /nfs/dbraw/zinc/06/09/33/1015060933.db2.gz BHEMLJOLMLHORR-UHFFFAOYSA-N 2 2 386.544 3.906 20 0 GHADLP CC[N@@H+](Cc1nc(C(C)C)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000374180174 1015060947 /nfs/dbraw/zinc/06/09/47/1015060947.db2.gz BHEMLJOLMLHORR-UHFFFAOYSA-N 2 2 386.544 3.906 20 0 GHADLP CC(C)C[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[NH2+][C@@H](C)c1ccccc1 ZINC000545448611 1015883261 /nfs/dbraw/zinc/88/32/61/1015883261.db2.gz UGHYPNOCNANPBA-AZUAARDMSA-N 2 2 391.519 3.763 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000469007097 1016330604 /nfs/dbraw/zinc/33/06/04/1016330604.db2.gz QZMMDMGBNULFKQ-UXHICEINSA-N 2 2 377.960 3.714 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000469007097 1016330614 /nfs/dbraw/zinc/33/06/14/1016330614.db2.gz QZMMDMGBNULFKQ-UXHICEINSA-N 2 2 377.960 3.714 20 0 GHADLP CCOc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc(Br)c1OC(F)F ZINC000469863983 1016649509 /nfs/dbraw/zinc/64/95/09/1016649509.db2.gz DPSYPVYMAFZTEI-CMPLNLGQSA-N 2 2 393.272 3.618 20 0 GHADLP CCOc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc(Br)c1OC(F)F ZINC000469863983 1016649516 /nfs/dbraw/zinc/64/95/16/1016649516.db2.gz DPSYPVYMAFZTEI-CMPLNLGQSA-N 2 2 393.272 3.618 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC001204208996 1032658519 /nfs/dbraw/zinc/65/85/19/1032658519.db2.gz MZNZEEBUVUJWGA-FQEVSTJZSA-N 2 2 387.474 3.615 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC001204208996 1032658526 /nfs/dbraw/zinc/65/85/26/1032658526.db2.gz MZNZEEBUVUJWGA-FQEVSTJZSA-N 2 2 387.474 3.615 20 0 GHADLP Fc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(F)c1 ZINC001204207659 1032658587 /nfs/dbraw/zinc/65/85/87/1032658587.db2.gz DVJJTKKTWPLUHQ-UHFFFAOYSA-N 2 2 378.488 3.893 20 0 GHADLP Fc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(F)c1 ZINC001204207659 1032658597 /nfs/dbraw/zinc/65/85/97/1032658597.db2.gz DVJJTKKTWPLUHQ-UHFFFAOYSA-N 2 2 378.488 3.893 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC001204217791 1032667371 /nfs/dbraw/zinc/66/73/71/1032667371.db2.gz ZUCBELGHRBBMNY-FQEVSTJZSA-N 2 2 387.474 3.615 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC001204217791 1032667374 /nfs/dbraw/zinc/66/73/74/1032667374.db2.gz ZUCBELGHRBBMNY-FQEVSTJZSA-N 2 2 387.474 3.615 20 0 GHADLP CC(C)Oc1ccc([C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)N(C)C)cc1 ZINC000558257606 1017149456 /nfs/dbraw/zinc/14/94/56/1017149456.db2.gz MQFICZQAGJRCIO-QFIPXVFZSA-N 2 2 382.552 3.730 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)[C@@H](C)C1 ZINC000560572947 1017662423 /nfs/dbraw/zinc/66/24/23/1017662423.db2.gz VLDINAIPCIKANX-RXVVDRJESA-N 2 2 377.548 3.653 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)[C@@H](C)C1 ZINC000560572947 1017662434 /nfs/dbraw/zinc/66/24/34/1017662434.db2.gz VLDINAIPCIKANX-RXVVDRJESA-N 2 2 377.548 3.653 20 0 GHADLP Cc1[nH+]ccn1CCCCOC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000778801473 1019709534 /nfs/dbraw/zinc/70/95/34/1019709534.db2.gz XLCZHKQEPDUABF-IBGZPJMESA-N 2 2 383.536 3.858 20 0 GHADLP FC(F)(F)Oc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001204429160 1032862337 /nfs/dbraw/zinc/86/23/37/1032862337.db2.gz BNAIZFAAZPDBTO-ROUUACIJSA-N 2 2 377.410 3.544 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000600960331 1020286745 /nfs/dbraw/zinc/28/67/45/1020286745.db2.gz VNWQAXQXRMCCMG-JSJNYSNDSA-N 2 2 377.960 3.807 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000600960331 1020286750 /nfs/dbraw/zinc/28/67/50/1020286750.db2.gz VNWQAXQXRMCCMG-JSJNYSNDSA-N 2 2 377.960 3.807 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(OC(C)C)cc3)CC2)C1 ZINC001204453781 1032896197 /nfs/dbraw/zinc/89/61/97/1032896197.db2.gz SUEDPONKQJSHNV-FQEVSTJZSA-N 2 2 388.552 3.713 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(OC(C)C)cc3)CC2)C1 ZINC001204453781 1032896216 /nfs/dbraw/zinc/89/62/16/1032896216.db2.gz SUEDPONKQJSHNV-FQEVSTJZSA-N 2 2 388.552 3.713 20 0 GHADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ncc(Br)cc1Cl ZINC000631056628 1020854682 /nfs/dbraw/zinc/85/46/82/1020854682.db2.gz LAHALEBKCVUYQC-UHFFFAOYSA-N 2 2 398.732 3.728 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)[C@H]3CCC[C@H]32)cc1 ZINC000834586135 1021283232 /nfs/dbraw/zinc/28/32/32/1021283232.db2.gz ZBEHTNKRKWRKAN-FQUZAXHOSA-N 3 2 397.607 3.663 20 0 GHADLP c1csc(-c2cccc(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c2)n1 ZINC001140334801 1021434600 /nfs/dbraw/zinc/43/46/00/1021434600.db2.gz WFKCVPAGPGRBSQ-BGYRXZFFSA-N 2 2 376.529 3.769 20 0 GHADLP c1csc(-c2cccc(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c2)n1 ZINC001140334801 1021434609 /nfs/dbraw/zinc/43/46/09/1021434609.db2.gz WFKCVPAGPGRBSQ-BGYRXZFFSA-N 2 2 376.529 3.769 20 0 GHADLP c1csc(-c2cccc(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)c2)n1 ZINC001140334801 1021434615 /nfs/dbraw/zinc/43/46/15/1021434615.db2.gz WFKCVPAGPGRBSQ-BGYRXZFFSA-N 2 2 376.529 3.769 20 0 GHADLP c1csc(-c2cccc(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)c2)n1 ZINC001140334801 1021434624 /nfs/dbraw/zinc/43/46/24/1021434624.db2.gz WFKCVPAGPGRBSQ-BGYRXZFFSA-N 2 2 376.529 3.769 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)CC2)c1 ZINC001140413991 1021617930 /nfs/dbraw/zinc/61/79/30/1021617930.db2.gz ORKDBWJEEPNJTH-UHFFFAOYSA-N 2 2 395.894 3.523 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cn3cccc(F)c3n2)CC1 ZINC000677320137 1021816331 /nfs/dbraw/zinc/81/63/31/1021816331.db2.gz CWSPZKLONDIKBU-INIZCTEOSA-N 2 2 399.489 3.605 20 0 GHADLP c1cn(C2CCCC2)c2nc[nH+]c(NCc3ccc(C[NH+]4CCOCC4)cc3)c12 ZINC001156392277 1033014255 /nfs/dbraw/zinc/01/42/55/1033014255.db2.gz MNCSORKZCQLBLO-UHFFFAOYSA-N 2 2 391.519 3.991 20 0 GHADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2c(Cl)ccc(Cl)c2Cl)CC1 ZINC000678218495 1021913589 /nfs/dbraw/zinc/91/35/89/1021913589.db2.gz UBNPCQREQWRTML-UHFFFAOYSA-N 2 2 392.758 3.537 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c(F)cc(F)cc1F)CC2 ZINC001140532147 1021928810 /nfs/dbraw/zinc/92/88/10/1021928810.db2.gz YDBUVOLBYBSWTQ-MRXNPFEDSA-N 2 2 394.437 3.952 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c(F)cc(F)cc1F)CC2 ZINC001140532147 1021928811 /nfs/dbraw/zinc/92/88/11/1021928811.db2.gz YDBUVOLBYBSWTQ-MRXNPFEDSA-N 2 2 394.437 3.952 20 0 GHADLP CN(C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681212131 1022266797 /nfs/dbraw/zinc/26/67/97/1022266797.db2.gz NESFDYQQEGVSNI-RJGXRXQPSA-N 2 2 398.595 3.523 20 0 GHADLP CN(C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681212131 1022266805 /nfs/dbraw/zinc/26/68/05/1022266805.db2.gz NESFDYQQEGVSNI-RJGXRXQPSA-N 2 2 398.595 3.523 20 0 GHADLP CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000681802312 1022329235 /nfs/dbraw/zinc/32/92/35/1022329235.db2.gz JHWZLBPGETVGIV-GMAHTHKFSA-N 2 2 398.595 3.607 20 0 GHADLP CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000681802312 1022329253 /nfs/dbraw/zinc/32/92/53/1022329253.db2.gz JHWZLBPGETVGIV-GMAHTHKFSA-N 2 2 398.595 3.607 20 0 GHADLP O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140806801 1022581769 /nfs/dbraw/zinc/58/17/69/1022581769.db2.gz SLAAKKPTJNURKL-UHFFFAOYSA-N 2 2 382.895 3.745 20 0 GHADLP CCCCc1[nH]c(C[NH+]2CCC3(CCOC[C@H]3COc3ccccn3)CC2)c[nH+]1 ZINC001141070866 1023423369 /nfs/dbraw/zinc/42/33/69/1023423369.db2.gz RPCWSKLDIMNTKK-IBGZPJMESA-N 2 2 398.551 3.845 20 0 GHADLP Cc1cc2c(s1)N(c1nc(Cl)nc3c1C[NH2+]CC3)c1ccccc1NC2=[NH2+] ZINC001156668931 1033172805 /nfs/dbraw/zinc/17/28/05/1033172805.db2.gz TVFWMXJXXXRSNX-UHFFFAOYSA-N 2 2 396.907 3.966 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2c[nH]nc2-c2cccs2)CC3)n1 ZINC001138153566 1024251804 /nfs/dbraw/zinc/25/18/04/1024251804.db2.gz OHGWSYWACJWJBI-UHFFFAOYSA-N 2 2 396.564 3.502 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2c[nH]nc2-c2cccs2)CC3)n1 ZINC001138153566 1024251819 /nfs/dbraw/zinc/25/18/19/1024251819.db2.gz OHGWSYWACJWJBI-UHFFFAOYSA-N 2 2 396.564 3.502 20 0 GHADLP COc1ccc(Cl)cc1C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001138482131 1024911545 /nfs/dbraw/zinc/91/15/45/1024911545.db2.gz BJGPKGGHZRKCKJ-UHFFFAOYSA-N 2 2 388.943 3.713 20 0 GHADLP COc1ccc(Cl)cc1C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001138482131 1024911550 /nfs/dbraw/zinc/91/15/50/1024911550.db2.gz BJGPKGGHZRKCKJ-UHFFFAOYSA-N 2 2 388.943 3.713 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)cc1 ZINC001138549926 1024998713 /nfs/dbraw/zinc/99/87/13/1024998713.db2.gz WWCDMFZFKJWBKM-VQTJNVASSA-N 2 2 378.501 3.622 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)cc1 ZINC001138549926 1024998719 /nfs/dbraw/zinc/99/87/19/1024998719.db2.gz WWCDMFZFKJWBKM-VQTJNVASSA-N 2 2 378.501 3.622 20 0 GHADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cnn(Cc5ccccc5)c4)C[C@@H]3C2)cc1 ZINC001138765805 1025330368 /nfs/dbraw/zinc/33/03/68/1025330368.db2.gz YOJLLJIEJLISKH-DQEYMECFSA-N 2 2 386.543 3.804 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCc3cc(Br)ccc3C2)cc1 ZINC001138769728 1025338910 /nfs/dbraw/zinc/33/89/10/1025338910.db2.gz XZQHYASCYQYIKN-UHFFFAOYSA-N 2 2 389.337 3.948 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCc3cc(Br)ccc3C2)cc1 ZINC001138769728 1025338924 /nfs/dbraw/zinc/33/89/24/1025338924.db2.gz XZQHYASCYQYIKN-UHFFFAOYSA-N 2 2 389.337 3.948 20 0 GHADLP C[NH+](C)CCOc1ccc(C[NH+](Cc2ccccn2)Cc2ccccn2)cc1 ZINC001138770273 1025339238 /nfs/dbraw/zinc/33/92/38/1025339238.db2.gz WTWJYEOZEBHILO-UHFFFAOYSA-N 2 2 376.504 3.619 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCc3cccc(Br)c3C2)cc1 ZINC001138768721 1025339366 /nfs/dbraw/zinc/33/93/66/1025339366.db2.gz CQQIETHGRQWPHC-UHFFFAOYSA-N 2 2 389.337 3.948 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCc3cccc(Br)c3C2)cc1 ZINC001138768721 1025339370 /nfs/dbraw/zinc/33/93/70/1025339370.db2.gz CQQIETHGRQWPHC-UHFFFAOYSA-N 2 2 389.337 3.948 20 0 GHADLP CCN(CC)c1ncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001138802050 1025390302 /nfs/dbraw/zinc/39/03/02/1025390302.db2.gz AZNUPCLSHZPNJK-PMACEKPBSA-N 2 2 384.593 3.943 20 0 GHADLP CCN(CC)c1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001138802050 1025390319 /nfs/dbraw/zinc/39/03/19/1025390319.db2.gz AZNUPCLSHZPNJK-PMACEKPBSA-N 2 2 384.593 3.943 20 0 GHADLP CCN(CC)c1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001138802050 1025390329 /nfs/dbraw/zinc/39/03/29/1025390329.db2.gz AZNUPCLSHZPNJK-PMACEKPBSA-N 2 2 384.593 3.943 20 0 GHADLP CCN(CC)c1ncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001138802050 1025390350 /nfs/dbraw/zinc/39/03/50/1025390350.db2.gz AZNUPCLSHZPNJK-PMACEKPBSA-N 2 2 384.593 3.943 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC001138879457 1025514383 /nfs/dbraw/zinc/51/43/83/1025514383.db2.gz PQHRBOACYVTFKS-JOCHJYFZSA-N 2 2 386.515 3.539 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC001138879457 1025514400 /nfs/dbraw/zinc/51/44/00/1025514400.db2.gz PQHRBOACYVTFKS-JOCHJYFZSA-N 2 2 386.515 3.539 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC001138879457 1025514411 /nfs/dbraw/zinc/51/44/11/1025514411.db2.gz PQHRBOACYVTFKS-JOCHJYFZSA-N 2 2 386.515 3.539 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC001138879457 1025514423 /nfs/dbraw/zinc/51/44/23/1025514423.db2.gz PQHRBOACYVTFKS-JOCHJYFZSA-N 2 2 386.515 3.539 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(OC(C)C)c3)CC2)C1 ZINC001138982676 1025714456 /nfs/dbraw/zinc/71/44/56/1025714456.db2.gz HCMSENSCOGEPKG-FQEVSTJZSA-N 2 2 388.552 3.713 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(OC(C)C)c3)CC2)C1 ZINC001138982676 1025714473 /nfs/dbraw/zinc/71/44/73/1025714473.db2.gz HCMSENSCOGEPKG-FQEVSTJZSA-N 2 2 388.552 3.713 20 0 GHADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc(C(F)(F)F)cn4)C[C@@H]3C2)cc1 ZINC001139012632 1025765842 /nfs/dbraw/zinc/76/58/42/1025765842.db2.gz CDLOOZBBNVBJEZ-HDICACEKSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(C(F)(F)F)cn4)C[C@@H]3C2)cc1 ZINC001139012632 1025765858 /nfs/dbraw/zinc/76/58/58/1025765858.db2.gz CDLOOZBBNVBJEZ-HDICACEKSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(C(F)(F)F)cn4)C[C@@H]3C2)cc1 ZINC001139012632 1025765872 /nfs/dbraw/zinc/76/58/72/1025765872.db2.gz CDLOOZBBNVBJEZ-HDICACEKSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc(C(F)(F)F)cn4)C[C@@H]3C2)cc1 ZINC001139012632 1025765891 /nfs/dbraw/zinc/76/58/91/1025765891.db2.gz CDLOOZBBNVBJEZ-HDICACEKSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1ccc(O[C@@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC001139062372 1025855614 /nfs/dbraw/zinc/85/56/14/1025855614.db2.gz PMMXJKFSYCKJAO-XMMPIXPASA-N 2 2 380.532 3.871 20 0 GHADLP Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC001139062372 1025855638 /nfs/dbraw/zinc/85/56/38/1025855638.db2.gz PMMXJKFSYCKJAO-XMMPIXPASA-N 2 2 380.532 3.871 20 0 GHADLP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1 ZINC001162737607 1025899151 /nfs/dbraw/zinc/89/91/51/1025899151.db2.gz QWMUBFACHVQTKU-FQEVSTJZSA-N 2 2 380.492 3.773 20 0 GHADLP COc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)nc1OC ZINC001139106338 1025914733 /nfs/dbraw/zinc/91/47/33/1025914733.db2.gz HYIIJKBHJRHRPT-ONTIZHBOSA-N 2 2 381.520 3.709 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)nc1OC ZINC001139106338 1025914738 /nfs/dbraw/zinc/91/47/38/1025914738.db2.gz HYIIJKBHJRHRPT-ONTIZHBOSA-N 2 2 381.520 3.709 20 0 GHADLP COc1ccc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)nc1OC ZINC001139106338 1025914746 /nfs/dbraw/zinc/91/47/46/1025914746.db2.gz HYIIJKBHJRHRPT-ONTIZHBOSA-N 2 2 381.520 3.709 20 0 GHADLP COc1ccc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)nc1OC ZINC001139106338 1025914748 /nfs/dbraw/zinc/91/47/48/1025914748.db2.gz HYIIJKBHJRHRPT-ONTIZHBOSA-N 2 2 381.520 3.709 20 0 GHADLP Cc1ccc2c(c1)[C@H](Nc1cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c1)CC21CC[NH2+]CC1 ZINC001163037149 1026020424 /nfs/dbraw/zinc/02/04/24/1026020424.db2.gz MXZJHSADBZCNSN-HYBUGGRVSA-N 3 2 390.575 3.706 20 0 GHADLP Cc1ccc2c(c1)[C@H](Nc1cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c1)CC21CC[NH2+]CC1 ZINC001163037149 1026020445 /nfs/dbraw/zinc/02/04/45/1026020445.db2.gz MXZJHSADBZCNSN-HYBUGGRVSA-N 3 2 390.575 3.706 20 0 GHADLP Fc1ccccc1COc1ccc[nH+]c1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163058237 1026029485 /nfs/dbraw/zinc/02/94/85/1026029485.db2.gz WDOPGVOYGKHKCD-QGZVFWFLSA-N 2 2 380.467 3.823 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]Cc3nc4ccccc4o3)CC2)cc1 ZINC001461063199 1069370639 /nfs/dbraw/zinc/37/06/39/1069370639.db2.gz FCRFXDZTYZWZLZ-UHFFFAOYSA-N 2 2 378.520 3.515 20 0 GHADLP COc1ccc([C@@H](O)C[N@H+](CCc2c[nH+]cn2C)[C@H](C)Cc2ccccc2)cc1 ZINC000839646556 1026160534 /nfs/dbraw/zinc/16/05/34/1026160534.db2.gz JQCVMTOKWDBUCB-DVECYGJZSA-N 2 2 393.531 3.638 20 0 GHADLP COc1ccc([C@@H](O)C[N@@H+](CCc2c[nH+]cn2C)[C@H](C)Cc2ccccc2)cc1 ZINC000839646556 1026160538 /nfs/dbraw/zinc/16/05/38/1026160538.db2.gz JQCVMTOKWDBUCB-DVECYGJZSA-N 2 2 393.531 3.638 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC2(C[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC001139355885 1026227095 /nfs/dbraw/zinc/22/70/95/1026227095.db2.gz DOCHKGABKFWLAO-UHFFFAOYSA-N 2 2 382.508 3.705 20 0 GHADLP O=C(OCc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139364538 1026240217 /nfs/dbraw/zinc/24/02/17/1026240217.db2.gz VZMSCLVFUVBHLW-NRFANRHFSA-N 2 2 375.472 3.828 20 0 GHADLP O=C(OCc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139364538 1026240231 /nfs/dbraw/zinc/24/02/31/1026240231.db2.gz VZMSCLVFUVBHLW-NRFANRHFSA-N 2 2 375.472 3.828 20 0 GHADLP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001139540028 1026401814 /nfs/dbraw/zinc/40/18/14/1026401814.db2.gz YDPZHWRIBJUMKH-UHFFFAOYSA-N 2 2 396.457 3.657 20 0 GHADLP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001139540028 1026401822 /nfs/dbraw/zinc/40/18/22/1026401822.db2.gz YDPZHWRIBJUMKH-UHFFFAOYSA-N 2 2 396.457 3.657 20 0 GHADLP CSCc1nc2sc(C)c(C)c2c(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001164210565 1026453181 /nfs/dbraw/zinc/45/31/81/1026453181.db2.gz FOFIKDUCBWTFSZ-UHFFFAOYSA-N 2 2 393.626 3.609 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)ccc3OCC)CC2)C1 ZINC001139600292 1026463157 /nfs/dbraw/zinc/46/31/57/1026463157.db2.gz NAZPCJCEVXXHKM-IBGZPJMESA-N 2 2 388.552 3.633 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)ccc3OCC)CC2)C1 ZINC001139600292 1026463164 /nfs/dbraw/zinc/46/31/64/1026463164.db2.gz NAZPCJCEVXXHKM-IBGZPJMESA-N 2 2 388.552 3.633 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(Cl)c(OC)c1)C2 ZINC001139613515 1026475681 /nfs/dbraw/zinc/47/56/81/1026475681.db2.gz WMENLRCESSICCX-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(Cl)c(OC)c1)C2 ZINC001139613515 1026475684 /nfs/dbraw/zinc/47/56/84/1026475684.db2.gz WMENLRCESSICCX-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(Cl)c(OC)c1)C2 ZINC001139613515 1026475687 /nfs/dbraw/zinc/47/56/87/1026475687.db2.gz WMENLRCESSICCX-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(Cl)c(OC)c1)C2 ZINC001139613515 1026475692 /nfs/dbraw/zinc/47/56/92/1026475692.db2.gz WMENLRCESSICCX-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP CCOC(=O)c1c(C)cc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)[nH+]c1C ZINC001165303975 1026698348 /nfs/dbraw/zinc/69/83/48/1026698348.db2.gz BFTYFBKKLPZXHG-AWEZNQCLSA-N 2 2 385.430 3.528 20 0 GHADLP CN(C)C(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(F)c4ccccc34)CC2)CC1 ZINC001139889885 1026705643 /nfs/dbraw/zinc/70/56/43/1026705643.db2.gz AWXMXTCLMGPRHI-UHFFFAOYSA-N 2 2 397.538 3.744 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H](C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001140021964 1026807778 /nfs/dbraw/zinc/80/77/78/1026807778.db2.gz VVXIOONPVQRTFD-GOSISDBHSA-N 2 2 396.535 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H](C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001140021964 1026807790 /nfs/dbraw/zinc/80/77/90/1026807790.db2.gz VVXIOONPVQRTFD-GOSISDBHSA-N 2 2 396.535 3.870 20 0 GHADLP C[NH+]1CC2(C1)CC[NH+](Cc1cc(C(F)(F)F)ccc1Br)CC2 ZINC001140220594 1026997717 /nfs/dbraw/zinc/99/77/17/1026997717.db2.gz XIRYAIJHEBGKSY-UHFFFAOYSA-N 2 2 377.248 3.996 20 0 GHADLP Cc1onc(-c2ccccc2)c1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001141980648 1027804964 /nfs/dbraw/zinc/80/49/64/1027804964.db2.gz ADCNDPJWXWGUNW-QHCPKHFHSA-N 2 2 383.536 3.973 20 0 GHADLP Cc1onc(-c2ccccc2)c1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001141980648 1027804983 /nfs/dbraw/zinc/80/49/83/1027804983.db2.gz ADCNDPJWXWGUNW-QHCPKHFHSA-N 2 2 383.536 3.973 20 0 GHADLP Cc1onc(-c2ccccc2)c1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001141980648 1027805001 /nfs/dbraw/zinc/80/50/01/1027805001.db2.gz ADCNDPJWXWGUNW-QHCPKHFHSA-N 2 2 383.536 3.973 20 0 GHADLP Cc1onc(-c2ccccc2)c1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001141980648 1027805020 /nfs/dbraw/zinc/80/50/20/1027805020.db2.gz ADCNDPJWXWGUNW-QHCPKHFHSA-N 2 2 383.536 3.973 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3[nH]cnc3C(C)(C)C)C[C@@H]21 ZINC001142226155 1028421075 /nfs/dbraw/zinc/42/10/75/1028421075.db2.gz HTSRIAUKXRIMNO-SLYNCCJLSA-N 2 2 381.568 3.835 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3[nH]cnc3C(C)(C)C)C[C@@H]21 ZINC001142226155 1028421080 /nfs/dbraw/zinc/42/10/80/1028421080.db2.gz HTSRIAUKXRIMNO-SLYNCCJLSA-N 2 2 381.568 3.835 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3[nH]cnc3C(C)(C)C)C[C@@H]21 ZINC001142226155 1028421087 /nfs/dbraw/zinc/42/10/87/1028421087.db2.gz HTSRIAUKXRIMNO-SLYNCCJLSA-N 2 2 381.568 3.835 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3[nH]cnc3C(C)(C)C)C[C@@H]21 ZINC001142226155 1028421106 /nfs/dbraw/zinc/42/11/06/1028421106.db2.gz HTSRIAUKXRIMNO-SLYNCCJLSA-N 2 2 381.568 3.835 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3c(C)ccc4ccccc43)C2)C1 ZINC001142375698 1028782625 /nfs/dbraw/zinc/78/26/25/1028782625.db2.gz KBXNYLHKGPTDCX-XMMPIXPASA-N 2 2 382.548 3.709 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3c(C)ccc4ccccc43)C2)C1 ZINC001142375698 1028782637 /nfs/dbraw/zinc/78/26/37/1028782637.db2.gz KBXNYLHKGPTDCX-XMMPIXPASA-N 2 2 382.548 3.709 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3c(C)ccc4ccccc43)C2)C1 ZINC001142375698 1028782654 /nfs/dbraw/zinc/78/26/54/1028782654.db2.gz KBXNYLHKGPTDCX-XMMPIXPASA-N 2 2 382.548 3.709 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3c(C)ccc4ccccc43)C2)C1 ZINC001142375698 1028782670 /nfs/dbraw/zinc/78/26/70/1028782670.db2.gz KBXNYLHKGPTDCX-XMMPIXPASA-N 2 2 382.548 3.709 20 0 GHADLP O=C(CC1=C(c2ccccc2)[NH2+]C(c2ccccc2)S1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001142484276 1028983521 /nfs/dbraw/zinc/98/35/21/1028983521.db2.gz BHGSOBWSKGWCMU-LJQANCHMSA-N 2 2 390.532 3.536 20 0 GHADLP O=C(CC1=C(c2ccccc2)[NH2+]C(c2ccccc2)S1)N1CC[N@H+]2CC[C@@H]2C1 ZINC001142484276 1028983523 /nfs/dbraw/zinc/98/35/23/1028983523.db2.gz BHGSOBWSKGWCMU-LJQANCHMSA-N 2 2 390.532 3.536 20 0 GHADLP C[C@]1(Cc2ccccc2)CC(=O)N(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000842600473 1029403918 /nfs/dbraw/zinc/40/39/18/1029403918.db2.gz KCAOTLYHJJGAIC-DEOSSOPVSA-N 2 2 394.563 3.814 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCCCNc3cccc[nH+]3)C[C@H]2C1 ZINC000842674727 1029480169 /nfs/dbraw/zinc/48/01/69/1029480169.db2.gz AFXPGFFSXVHXQK-GBESFXJTSA-N 2 2 388.556 3.899 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cc3cccnc3[nH]1)CC2 ZINC001143215228 1029919546 /nfs/dbraw/zinc/91/95/46/1029919546.db2.gz YUAKAHBJZUEHGO-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cc3cccnc3[nH]1)CC2 ZINC001143215228 1029919559 /nfs/dbraw/zinc/91/95/59/1029919559.db2.gz YUAKAHBJZUEHGO-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1c(Cl)cc(Cl)cc1Cl ZINC000843363515 1029942730 /nfs/dbraw/zinc/94/27/30/1029942730.db2.gz RACAVERYLZHGDR-UHFFFAOYSA-N 2 2 376.715 3.661 20 0 GHADLP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1c(Cl)cc(Cl)cc1Cl ZINC000843363515 1029942732 /nfs/dbraw/zinc/94/27/32/1029942732.db2.gz RACAVERYLZHGDR-UHFFFAOYSA-N 2 2 376.715 3.661 20 0 GHADLP CCOC(=O)[C@H]1CC2(C[N@@H+]1CCc1c(Cl)cccc1Cl)CC[NH2+]CC2 ZINC001222215268 1030011352 /nfs/dbraw/zinc/01/13/52/1030011352.db2.gz AYRXKMTVWOYJED-QGZVFWFLSA-N 2 2 385.335 3.543 20 0 GHADLP CCOC(=O)[C@H]1CC2(C[N@H+]1CCc1c(Cl)cccc1Cl)CC[NH2+]CC2 ZINC001222215268 1030011368 /nfs/dbraw/zinc/01/13/68/1030011368.db2.gz AYRXKMTVWOYJED-QGZVFWFLSA-N 2 2 385.335 3.543 20 0 GHADLP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1cc(C(F)(F)F)ccc1C)CC[NH2+]CC2 ZINC001222220676 1030014164 /nfs/dbraw/zinc/01/41/64/1030014164.db2.gz FTLIDCUYMWHHCO-KRWDZBQOSA-N 2 2 384.442 3.521 20 0 GHADLP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1cc(C(F)(F)F)ccc1C)CC[NH2+]CC2 ZINC001222220676 1030014175 /nfs/dbraw/zinc/01/41/75/1030014175.db2.gz FTLIDCUYMWHHCO-KRWDZBQOSA-N 2 2 384.442 3.521 20 0 GHADLP COc1ccccc1-c1noc(-c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)n1 ZINC001217116268 1030177844 /nfs/dbraw/zinc/17/78/44/1030177844.db2.gz KBEVRNDUAHVZRH-UHFFFAOYSA-N 2 2 380.492 3.796 20 0 GHADLP COc1ccccc1-c1noc(-c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)n1 ZINC001217116268 1030177849 /nfs/dbraw/zinc/17/78/49/1030177849.db2.gz KBEVRNDUAHVZRH-UHFFFAOYSA-N 2 2 380.492 3.796 20 0 GHADLP Cc1ncc(F)cc1C[N@@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590999 1030217809 /nfs/dbraw/zinc/21/78/09/1030217809.db2.gz QIZQQVZJZHJOHZ-QFIPXVFZSA-N 2 2 383.511 3.833 20 0 GHADLP Cc1ncc(F)cc1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590999 1030217822 /nfs/dbraw/zinc/21/78/22/1030217822.db2.gz QIZQQVZJZHJOHZ-QFIPXVFZSA-N 2 2 383.511 3.833 20 0 GHADLP c1cn(-c2ccc(-c3noc(-c4ccc5[nH]c6c(c5c4)C[NH2+]CC6)n3)cc2)c[nH+]1 ZINC001217450731 1030404706 /nfs/dbraw/zinc/40/47/06/1030404706.db2.gz IGOITHQVCUVCCC-UHFFFAOYSA-N 2 2 382.427 3.716 20 0 GHADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217731058 1030633039 /nfs/dbraw/zinc/63/30/39/1030633039.db2.gz GEHACBZPRHVFKW-IOMROCGXSA-N 2 2 392.503 3.664 20 0 GHADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217731058 1030633051 /nfs/dbraw/zinc/63/30/51/1030633051.db2.gz GEHACBZPRHVFKW-IOMROCGXSA-N 2 2 392.503 3.664 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)ccc21 ZINC001218616493 1031007978 /nfs/dbraw/zinc/00/79/78/1031007978.db2.gz CXNXEQNJKGWMCT-HXUWFJFHSA-N 2 2 375.476 3.609 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)ccc21 ZINC001218616493 1031007991 /nfs/dbraw/zinc/00/79/91/1031007991.db2.gz CXNXEQNJKGWMCT-HXUWFJFHSA-N 2 2 375.476 3.609 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1Cl ZINC001152207239 1031147244 /nfs/dbraw/zinc/14/72/44/1031147244.db2.gz VEXGJTUKDZXLIY-KRWDZBQOSA-N 2 2 377.275 3.674 20 0 GHADLP C[NH+]1CCN(c2ccc(C(=O)Nc3ccc(C4([NH3+])CCC4)cc3)cc2Cl)CC1 ZINC001218973762 1031188473 /nfs/dbraw/zinc/18/84/73/1031188473.db2.gz PZBQHWYXDIZABT-UHFFFAOYSA-N 2 2 398.938 3.682 20 0 GHADLP Fc1ccccc1C[N@@H+]1CCC[C@@H](OC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC001224960726 1031191135 /nfs/dbraw/zinc/19/11/35/1031191135.db2.gz GIFVKDHDXCCZMR-DHIUTWEWSA-N 2 2 398.522 3.708 20 0 GHADLP Fc1ccccc1C[N@H+]1CCC[C@@H](OC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC001224960726 1031191141 /nfs/dbraw/zinc/19/11/41/1031191141.db2.gz GIFVKDHDXCCZMR-DHIUTWEWSA-N 2 2 398.522 3.708 20 0 GHADLP Fc1ccccc1C[NH+]1CCC[C@@H](OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001224960726 1031191150 /nfs/dbraw/zinc/19/11/50/1031191150.db2.gz GIFVKDHDXCCZMR-DHIUTWEWSA-N 2 2 398.522 3.708 20 0 GHADLP Fc1ccccc1C[NH+]1CCC[C@@H](OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001224960726 1031191159 /nfs/dbraw/zinc/19/11/59/1031191159.db2.gz GIFVKDHDXCCZMR-DHIUTWEWSA-N 2 2 398.522 3.708 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)c1ccccc1Cl ZINC001219536843 1031481317 /nfs/dbraw/zinc/48/13/17/1031481317.db2.gz FJSUFEXFNAAULR-JJXUHFIVSA-N 2 2 399.922 3.809 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@@]1([NH3+])CCc2ccccc21)c1ccc(Cl)cc1Cl ZINC001220532310 1031979522 /nfs/dbraw/zinc/97/95/22/1031979522.db2.gz GEIHAZRGTYWUGW-AZUAARDMSA-N 2 2 392.330 3.513 20 0 GHADLP C[C@@H]([NH3+])c1ncc(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)s1 ZINC001220533519 1031979575 /nfs/dbraw/zinc/97/95/75/1031979575.db2.gz OQRXXKVSPPQLAL-NOZJJQNGSA-N 2 2 387.336 3.502 20 0 GHADLP C[NH2+][C@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001220533725 1031981017 /nfs/dbraw/zinc/98/10/17/1031981017.db2.gz REIRRZRGEXRDGL-MOPGFXCFSA-N 2 2 394.346 3.543 20 0 GHADLP C[NH+](C)CCCOc1ccc(-c2ccc(-c3nc4c(o3)CC[N@H+](C)C4)cc2)cn1 ZINC001205255880 1033326837 /nfs/dbraw/zinc/32/68/37/1033326837.db2.gz POGYJSVBYHNGOP-UHFFFAOYSA-N 2 2 392.503 3.722 20 0 GHADLP C[NH+](C)CCCOc1ccc(-c2ccc(-c3nc4c(o3)CC[N@@H+](C)C4)cc2)cn1 ZINC001205255880 1033326851 /nfs/dbraw/zinc/32/68/51/1033326851.db2.gz POGYJSVBYHNGOP-UHFFFAOYSA-N 2 2 392.503 3.722 20 0 GHADLP C[C@H]1CC[N@H+](Cc2cc(Br)cc(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205303397 1033349689 /nfs/dbraw/zinc/34/96/89/1033349689.db2.gz DQOHKCODOIRFSV-JQWIXIFHSA-N 2 2 381.236 3.764 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2cc(Br)cc(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205303397 1033349705 /nfs/dbraw/zinc/34/97/05/1033349705.db2.gz DQOHKCODOIRFSV-JQWIXIFHSA-N 2 2 381.236 3.764 20 0 GHADLP COc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC001205779173 1033568632 /nfs/dbraw/zinc/56/86/32/1033568632.db2.gz JZVKEHAAAZAIEY-SFHVURJKSA-N 2 2 376.447 3.690 20 0 GHADLP COc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC001205779173 1033568645 /nfs/dbraw/zinc/56/86/45/1033568645.db2.gz JZVKEHAAAZAIEY-SFHVURJKSA-N 2 2 376.447 3.690 20 0 GHADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001205813964 1033587389 /nfs/dbraw/zinc/58/73/89/1033587389.db2.gz AOPUWBOYUKMHSL-QPPBQGQZSA-N 3 2 392.591 3.568 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CC[N@H+](CC)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC001157550450 1033652976 /nfs/dbraw/zinc/65/29/76/1033652976.db2.gz YKYGSVVBGKLSGP-MAUKXSAKSA-N 2 2 385.474 3.641 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CC[N@@H+](CC)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC001157550450 1033652983 /nfs/dbraw/zinc/65/29/83/1033652983.db2.gz YKYGSVVBGKLSGP-MAUKXSAKSA-N 2 2 385.474 3.641 20 0 GHADLP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cc(F)c(O)c(Br)c2)CC1 ZINC001206756124 1033971371 /nfs/dbraw/zinc/97/13/71/1033971371.db2.gz XYUYGQHYQXVFEM-UHFFFAOYSA-N 2 2 393.300 3.786 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)CC2)C1 ZINC001158259823 1033991798 /nfs/dbraw/zinc/99/17/98/1033991798.db2.gz VXDBSPMAAUVPDJ-NRFANRHFSA-N 2 2 399.542 3.812 20 0 GHADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)CC2)C1 ZINC001158259823 1033991800 /nfs/dbraw/zinc/99/18/00/1033991800.db2.gz VXDBSPMAAUVPDJ-NRFANRHFSA-N 2 2 399.542 3.812 20 0 GHADLP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)c(OC(F)(F)F)c1 ZINC001206810824 1033993426 /nfs/dbraw/zinc/99/34/26/1033993426.db2.gz PVLJJQIGDJCKSV-ZYHUDNBSSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(Br)c(OC(F)(F)F)c1 ZINC001206810824 1033993432 /nfs/dbraw/zinc/99/34/32/1033993432.db2.gz PVLJJQIGDJCKSV-ZYHUDNBSSA-N 2 2 381.236 3.907 20 0 GHADLP CC(C)(C)Oc1ccc([C@@H]2CCN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)C2)cc1 ZINC001158972969 1034363783 /nfs/dbraw/zinc/36/37/83/1034363783.db2.gz PNSOZBMGLQUXSX-LJQANCHMSA-N 2 2 380.536 3.662 20 0 GHADLP COc1cccc(CC[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c1 ZINC001207427979 1034364904 /nfs/dbraw/zinc/36/49/04/1034364904.db2.gz JIEMKMUWYKVLDR-UHFFFAOYSA-N 2 2 391.515 3.916 20 0 GHADLP COc1cccc(CC[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c1 ZINC001207427979 1034364907 /nfs/dbraw/zinc/36/49/07/1034364907.db2.gz JIEMKMUWYKVLDR-UHFFFAOYSA-N 2 2 391.515 3.916 20 0 GHADLP COc1cccc(CC[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001207427979 1034364911 /nfs/dbraw/zinc/36/49/11/1034364911.db2.gz JIEMKMUWYKVLDR-UHFFFAOYSA-N 2 2 391.515 3.916 20 0 GHADLP COc1cccc(CC[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001207427979 1034364914 /nfs/dbraw/zinc/36/49/14/1034364914.db2.gz JIEMKMUWYKVLDR-UHFFFAOYSA-N 2 2 391.515 3.916 20 0 GHADLP Cn1c[nH+]cc1-c1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001231083544 1034386682 /nfs/dbraw/zinc/38/66/82/1034386682.db2.gz LHFAQQWHSCDVIV-QFIPXVFZSA-N 2 2 377.488 3.757 20 0 GHADLP Cn1c[nH+]cc1-c1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001231083544 1034386695 /nfs/dbraw/zinc/38/66/95/1034386695.db2.gz LHFAQQWHSCDVIV-QFIPXVFZSA-N 2 2 377.488 3.757 20 0 GHADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001207501911 1034407521 /nfs/dbraw/zinc/40/75/21/1034407521.db2.gz NLJHOUUOFBLBNQ-FQEVSTJZSA-N 2 2 382.548 3.984 20 0 GHADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001207501911 1034407529 /nfs/dbraw/zinc/40/75/29/1034407529.db2.gz NLJHOUUOFBLBNQ-FQEVSTJZSA-N 2 2 382.548 3.984 20 0 GHADLP O=C1Nc2ccc(Nc3cc[nH+]c4ccc(Cl)cc34)cc2C12CC[NH2+]CC2 ZINC001159154497 1034457012 /nfs/dbraw/zinc/45/70/12/1034457012.db2.gz WROVNBOCXXCBOW-UHFFFAOYSA-N 2 2 378.863 3.627 20 0 GHADLP COc1cc(F)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC001207589264 1034469431 /nfs/dbraw/zinc/46/94/31/1034469431.db2.gz PTTPFGANVUNCEI-QUCCMNQESA-N 2 2 384.495 3.797 20 0 GHADLP COc1cc(F)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC001207589264 1034469439 /nfs/dbraw/zinc/46/94/39/1034469439.db2.gz PTTPFGANVUNCEI-QUCCMNQESA-N 2 2 384.495 3.797 20 0 GHADLP COc1cc(F)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC001207589264 1034469447 /nfs/dbraw/zinc/46/94/47/1034469447.db2.gz PTTPFGANVUNCEI-QUCCMNQESA-N 2 2 384.495 3.797 20 0 GHADLP COc1cc(F)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC001207589264 1034469454 /nfs/dbraw/zinc/46/94/54/1034469454.db2.gz PTTPFGANVUNCEI-QUCCMNQESA-N 2 2 384.495 3.797 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1c[nH]c3cnccc13)CC2 ZINC001231516334 1034666666 /nfs/dbraw/zinc/66/66/66/1034666666.db2.gz HABNJTWSHWNNLD-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1c[nH]c3cnccc13)CC2 ZINC001231516334 1034666672 /nfs/dbraw/zinc/66/66/72/1034666672.db2.gz HABNJTWSHWNNLD-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP COCCCOc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1OC ZINC001231546081 1034699142 /nfs/dbraw/zinc/69/91/42/1034699142.db2.gz NGJVVMDKHSCHRX-UHFFFAOYSA-N 2 2 390.568 3.949 20 0 GHADLP COCCCOc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1OC ZINC001231546081 1034699147 /nfs/dbraw/zinc/69/91/47/1034699147.db2.gz NGJVVMDKHSCHRX-UHFFFAOYSA-N 2 2 390.568 3.949 20 0 GHADLP COC(C)(C)CCC[C@@H](C)CC[N@H+]1C[C@@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001208208591 1034799797 /nfs/dbraw/zinc/79/97/97/1034799797.db2.gz ZDNZDUHIEGNLOX-FCEUIQTBSA-N 2 2 390.616 3.795 20 0 GHADLP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001208208591 1034799808 /nfs/dbraw/zinc/79/98/08/1034799808.db2.gz ZDNZDUHIEGNLOX-FCEUIQTBSA-N 2 2 390.616 3.795 20 0 GHADLP COC(C)(C)CCC[C@@H](C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001208208591 1034799822 /nfs/dbraw/zinc/79/98/22/1034799822.db2.gz ZDNZDUHIEGNLOX-FCEUIQTBSA-N 2 2 390.616 3.795 20 0 GHADLP COC(C)(C)CCC[C@@H](C)CC[NH+]1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001208208591 1034799835 /nfs/dbraw/zinc/79/98/35/1034799835.db2.gz ZDNZDUHIEGNLOX-FCEUIQTBSA-N 2 2 390.616 3.795 20 0 GHADLP Clc1cc(-c2cc[nH+]c(NCc3ccccc3N3CC[NH2+]CC3)c2)ccn1 ZINC001160109959 1034865068 /nfs/dbraw/zinc/86/50/68/1034865068.db2.gz QWTBXOPZHNFAOG-UHFFFAOYSA-N 2 2 379.895 3.819 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3SC)CC2)CC1 ZINC001231781573 1034905381 /nfs/dbraw/zinc/90/53/81/1034905381.db2.gz ACNRBWAXUMWSCA-UHFFFAOYSA-N 2 2 376.566 3.648 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](CCc3ccc(Cl)cc3)CC2)CC1 ZINC001208736777 1034992308 /nfs/dbraw/zinc/99/23/08/1034992308.db2.gz KCHZIZLFUOHOEU-UHFFFAOYSA-N 2 2 378.944 3.622 20 0 GHADLP CC(C)Oc1ncccc1CC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001208790221 1035022698 /nfs/dbraw/zinc/02/26/98/1035022698.db2.gz BQCFTHNUDFJRJI-GOSISDBHSA-N 2 2 385.556 3.525 20 0 GHADLP CC(C)Oc1ncccc1CC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001208790221 1035022722 /nfs/dbraw/zinc/02/27/22/1035022722.db2.gz BQCFTHNUDFJRJI-GOSISDBHSA-N 2 2 385.556 3.525 20 0 GHADLP CC(C)Oc1ncccc1CC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001208790221 1035022733 /nfs/dbraw/zinc/02/27/33/1035022733.db2.gz BQCFTHNUDFJRJI-GOSISDBHSA-N 2 2 385.556 3.525 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](CC1CCN(c3ccccc3)CC1)CC2 ZINC001208906682 1035082778 /nfs/dbraw/zinc/08/27/78/1035082778.db2.gz SPVKVDBDUIZVTJ-UHFFFAOYSA-N 2 2 395.595 3.800 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](CC1CCN(c3ccccc3)CC1)CC2 ZINC001208906682 1035082785 /nfs/dbraw/zinc/08/27/85/1035082785.db2.gz SPVKVDBDUIZVTJ-UHFFFAOYSA-N 2 2 395.595 3.800 20 0 GHADLP Clc1ccc(CN2CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208953652 1035127940 /nfs/dbraw/zinc/12/79/40/1035127940.db2.gz RFUOUKPOERGOGX-JOCHJYFZSA-N 2 2 383.967 3.980 20 0 GHADLP Clc1ccc(CN2CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208953652 1035127946 /nfs/dbraw/zinc/12/79/46/1035127946.db2.gz RFUOUKPOERGOGX-JOCHJYFZSA-N 2 2 383.967 3.980 20 0 GHADLP Clc1ccc(C[NH+]2CCN(C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208953652 1035127953 /nfs/dbraw/zinc/12/79/53/1035127953.db2.gz RFUOUKPOERGOGX-JOCHJYFZSA-N 2 2 383.967 3.980 20 0 GHADLP Clc1ccc(C[NH+]2CCN(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208953652 1035127956 /nfs/dbraw/zinc/12/79/56/1035127956.db2.gz RFUOUKPOERGOGX-JOCHJYFZSA-N 2 2 383.967 3.980 20 0 GHADLP C[C@H]1C[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001208956882 1035130280 /nfs/dbraw/zinc/13/02/80/1035130280.db2.gz JUZPOTAPUDTQQU-ZJOUEHCJSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@H]1C[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001208956882 1035130286 /nfs/dbraw/zinc/13/02/86/1035130286.db2.gz JUZPOTAPUDTQQU-ZJOUEHCJSA-N 2 2 387.568 3.838 20 0 GHADLP FC(F)(F)c1ccc(CC[N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC001209124783 1035183994 /nfs/dbraw/zinc/18/39/94/1035183994.db2.gz OYWCIYYDKWWVPP-UHFFFAOYSA-N 2 2 378.442 3.556 20 0 GHADLP FC(F)(F)c1ccc(CC[N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC001209124783 1035183995 /nfs/dbraw/zinc/18/39/95/1035183995.db2.gz OYWCIYYDKWWVPP-UHFFFAOYSA-N 2 2 378.442 3.556 20 0 GHADLP CN(CCC[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1)C(=O)OC(C)(C)C ZINC001209140127 1035190418 /nfs/dbraw/zinc/19/04/18/1035190418.db2.gz MWTDZJCZZQCEFP-UHFFFAOYSA-N 2 2 393.547 3.979 20 0 GHADLP CN(CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1)C(=O)OC(C)(C)C ZINC001209140127 1035190423 /nfs/dbraw/zinc/19/04/23/1035190423.db2.gz MWTDZJCZZQCEFP-UHFFFAOYSA-N 2 2 393.547 3.979 20 0 GHADLP Brc1ccc(-c2n[nH]cc2C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC001461949999 1069909766 /nfs/dbraw/zinc/90/97/66/1069909766.db2.gz SHSCATHEZRGUEC-UHFFFAOYSA-N 2 2 386.297 3.873 20 0 GHADLP Fc1cc(F)c(CC[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc1F ZINC001209249360 1035220174 /nfs/dbraw/zinc/22/01/74/1035220174.db2.gz RTHBVMFVADNERT-UHFFFAOYSA-N 2 2 394.437 3.606 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(N5CCCC5)nc4)C[C@H]3C2)cc1 ZINC001209626197 1035335238 /nfs/dbraw/zinc/33/52/38/1035335238.db2.gz QWJHHMJYBFUWNL-DHIUTWEWSA-N 2 2 376.548 3.554 20 0 GHADLP C[NH2+][C@H](c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1)c1ccccc1 ZINC001248242965 1035687582 /nfs/dbraw/zinc/68/75/82/1035687582.db2.gz SJMNPVCKYDETOU-UXHICEINSA-N 2 2 389.434 3.917 20 0 GHADLP Cc1noc2ccc(C[NH+]3CC[C@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc12 ZINC001248699236 1036064613 /nfs/dbraw/zinc/06/46/13/1036064613.db2.gz XYDZFFQLHBBXSR-URVUXULASA-N 2 2 393.535 3.706 20 0 GHADLP Cc1noc2ccc(C[NH+]3CC[C@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc12 ZINC001248699236 1036064635 /nfs/dbraw/zinc/06/46/35/1036064635.db2.gz XYDZFFQLHBBXSR-URVUXULASA-N 2 2 393.535 3.706 20 0 GHADLP Cc1noc2ccc(C[N@@H+]3CC[C@H]4[C@H](C[C@@H](Cn5cccn5)[NH+]4C(C)C)C3)cc12 ZINC001248699236 1036064661 /nfs/dbraw/zinc/06/46/61/1036064661.db2.gz XYDZFFQLHBBXSR-URVUXULASA-N 2 2 393.535 3.706 20 0 GHADLP Cc1noc2ccc(C[N@H+]3CC[C@H]4[C@H](C[C@@H](Cn5cccn5)[NH+]4C(C)C)C3)cc12 ZINC001248699236 1036064679 /nfs/dbraw/zinc/06/46/79/1036064679.db2.gz XYDZFFQLHBBXSR-URVUXULASA-N 2 2 393.535 3.706 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(F)c(C(=O)N4CCCCC4)c3)c2)C1 ZINC001243296477 1036102465 /nfs/dbraw/zinc/10/24/65/1036102465.db2.gz GYCDWWSZOQXRLS-FQEVSTJZSA-N 2 2 381.495 3.652 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)c(C(=O)N4CCCCC4)c3)c2)C1 ZINC001243296477 1036102481 /nfs/dbraw/zinc/10/24/81/1036102481.db2.gz GYCDWWSZOQXRLS-FQEVSTJZSA-N 2 2 381.495 3.652 20 0 GHADLP C[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2F)nc1 ZINC001244135473 1036388933 /nfs/dbraw/zinc/38/89/33/1036388933.db2.gz HODFQUUHOKHPBN-QHCPKHFHSA-N 2 2 399.510 3.756 20 0 GHADLP C[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2F)nc1 ZINC001244135473 1036388954 /nfs/dbraw/zinc/38/89/54/1036388954.db2.gz HODFQUUHOKHPBN-QHCPKHFHSA-N 2 2 399.510 3.756 20 0 GHADLP C[NH+](C)CCCOc1ccc(-c2ncnc3c2C[N@H+](Cc2ccccc2)C3)cc1 ZINC001245335564 1036883819 /nfs/dbraw/zinc/88/38/19/1036883819.db2.gz FTKZMSMPTBYFFQ-UHFFFAOYSA-N 2 2 388.515 3.990 20 0 GHADLP C[NH+](C)CCCOc1ccc(-c2ncnc3c2C[N@@H+](Cc2ccccc2)C3)cc1 ZINC001245335564 1036883835 /nfs/dbraw/zinc/88/38/35/1036883835.db2.gz FTKZMSMPTBYFFQ-UHFFFAOYSA-N 2 2 388.515 3.990 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@@H]([NH2+][C@@H]4[C@H]5C[NH2+]C[C@H]54)C[C@@H]23)cc1 ZINC001246148959 1037216174 /nfs/dbraw/zinc/21/61/74/1037216174.db2.gz ORLFKJWHZDQVBW-OPOYRNPBSA-N 3 2 387.571 3.559 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@@H]([NH2+][C@@H]4[C@H]5C[NH2+]C[C@H]54)C[C@@H]23)cc1 ZINC001246148959 1037216185 /nfs/dbraw/zinc/21/61/85/1037216185.db2.gz ORLFKJWHZDQVBW-OPOYRNPBSA-N 3 2 387.571 3.559 20 0 GHADLP CC(C)(C)OC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246206555 1037239286 /nfs/dbraw/zinc/23/92/86/1037239286.db2.gz HIWUPQGSDYVFFF-YOEHRIQHSA-N 2 2 387.351 3.890 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC[NH2+]1 ZINC001246239090 1037250685 /nfs/dbraw/zinc/25/06/85/1037250685.db2.gz INOUEXHMJBWXQD-FYYLOGMGSA-N 2 2 378.495 3.962 20 0 GHADLP [NH3+]CCC[C@H]([NH2+][C@@H]1CCc2c(Cl)cccc2C1)C(=O)OCc1ccccc1 ZINC001246400510 1037357710 /nfs/dbraw/zinc/35/77/10/1037357710.db2.gz GQYMMEZUQMBXGU-NQIIRXRSSA-N 2 2 386.923 3.638 20 0 GHADLP O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)N1CCCCC1 ZINC001246462850 1037418771 /nfs/dbraw/zinc/41/87/71/1037418771.db2.gz JEKNRJBMYCZFAU-SMIHKQSGSA-N 2 2 391.559 3.693 20 0 GHADLP C[NH2+]CC[C@H](C)[NH2+][C@]1(O)C=Cc2ccccc2[C@@H]1c1c(O)ccc2ccccc21 ZINC001246489700 1037435453 /nfs/dbraw/zinc/43/54/53/1037435453.db2.gz AQODYVFRPBUCKQ-AJHZIAPWSA-N 2 2 388.511 3.980 20 0 GHADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246535123 1037466710 /nfs/dbraw/zinc/46/67/10/1037466710.db2.gz VXGBYMGJUWFIFC-VEXUSMLFSA-N 2 2 381.539 3.695 20 0 GHADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246535123 1037466718 /nfs/dbraw/zinc/46/67/18/1037466718.db2.gz VXGBYMGJUWFIFC-VEXUSMLFSA-N 2 2 381.539 3.695 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](C1Cc3cc(F)c(F)cc3C1)CC2 ZINC001246631041 1037518552 /nfs/dbraw/zinc/51/85/52/1037518552.db2.gz ODDDIDHTLPUUBD-UHFFFAOYSA-N 2 2 384.470 3.578 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](C1Cc3cc(F)c(F)cc3C1)CC2 ZINC001246631041 1037518562 /nfs/dbraw/zinc/51/85/62/1037518562.db2.gz ODDDIDHTLPUUBD-UHFFFAOYSA-N 2 2 384.470 3.578 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246653972 1037528713 /nfs/dbraw/zinc/52/87/13/1037528713.db2.gz GCHPYLYTBQRCOC-DLRXZHIHSA-N 3 2 381.486 3.512 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246653972 1037528726 /nfs/dbraw/zinc/52/87/26/1037528726.db2.gz GCHPYLYTBQRCOC-DLRXZHIHSA-N 3 2 381.486 3.512 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246653972 1037528741 /nfs/dbraw/zinc/52/87/41/1037528741.db2.gz GCHPYLYTBQRCOC-DLRXZHIHSA-N 3 2 381.486 3.512 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246653972 1037528757 /nfs/dbraw/zinc/52/87/57/1037528757.db2.gz GCHPYLYTBQRCOC-DLRXZHIHSA-N 3 2 381.486 3.512 20 0 GHADLP O=c1[nH]c2ccccc2n1C1CC[NH+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC001246678047 1037543660 /nfs/dbraw/zinc/54/36/60/1037543660.db2.gz MEEZPNJLGKRFLX-FPOVZHCZSA-N 2 2 376.504 3.872 20 0 GHADLP CC[C@H]1CC([NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246704036 1037557698 /nfs/dbraw/zinc/55/76/98/1037557698.db2.gz UBYUZYBAIGURSX-OALUTQOASA-N 3 2 391.625 3.724 20 0 GHADLP CC[C@H]1CC([NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246704036 1037557717 /nfs/dbraw/zinc/55/77/17/1037557717.db2.gz UBYUZYBAIGURSX-OALUTQOASA-N 3 2 391.625 3.724 20 0 GHADLP C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246724012 1037574740 /nfs/dbraw/zinc/57/47/40/1037574740.db2.gz WBAWNUVHQZTDOY-RFWXGWTQSA-N 2 2 386.584 3.889 20 0 GHADLP C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246724012 1037574750 /nfs/dbraw/zinc/57/47/50/1037574750.db2.gz WBAWNUVHQZTDOY-RFWXGWTQSA-N 2 2 386.584 3.889 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC001246809051 1037643400 /nfs/dbraw/zinc/64/34/00/1037643400.db2.gz ZWBZUAMGAJMIBF-VLOWTAQSSA-N 3 2 393.550 3.991 20 0 GHADLP c1ccc(C[C@H]2C[C@H]([NH+]3CCN(c4nccc5ccccc54)CC3)CC[NH2+]2)cc1 ZINC001246811201 1037645580 /nfs/dbraw/zinc/64/55/80/1037645580.db2.gz ORTNNZCGBSRQPF-XZOQPEGZSA-N 2 2 386.543 3.720 20 0 GHADLP COc1cc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)ccc1Cl ZINC001246891822 1037706541 /nfs/dbraw/zinc/70/65/41/1037706541.db2.gz YMBRKWRODKRHQS-CTNGQTDRSA-N 2 2 385.939 3.964 20 0 GHADLP O=C(c1ccccc1)N1CCC([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246932942 1037735472 /nfs/dbraw/zinc/73/54/72/1037735472.db2.gz DNVGJPYISMFDDK-HSZRJFAPSA-N 2 2 395.522 3.685 20 0 GHADLP O=C(c1ccccc1)N1CCC([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246932942 1037735494 /nfs/dbraw/zinc/73/54/94/1037735494.db2.gz DNVGJPYISMFDDK-HSZRJFAPSA-N 2 2 395.522 3.685 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[N@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246936207 1037740814 /nfs/dbraw/zinc/74/08/14/1037740814.db2.gz MRLOMXVEOYRJIF-VGOFRKELSA-N 2 2 384.495 3.798 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246936207 1037740836 /nfs/dbraw/zinc/74/08/36/1037740836.db2.gz MRLOMXVEOYRJIF-VGOFRKELSA-N 2 2 384.495 3.798 20 0 GHADLP COC(=O)[C@H]1CCC[C@@H]([N@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246958989 1037773800 /nfs/dbraw/zinc/77/38/00/1037773800.db2.gz UGWWOVAEWHZTQV-GOEBONIOSA-N 2 2 398.469 3.780 20 0 GHADLP COC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246958989 1037773804 /nfs/dbraw/zinc/77/38/04/1037773804.db2.gz UGWWOVAEWHZTQV-GOEBONIOSA-N 2 2 398.469 3.780 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)[nH+]c1 ZINC001246960410 1037780031 /nfs/dbraw/zinc/78/00/31/1037780031.db2.gz KYZPCTBLSXPONC-IRLDBZIGSA-N 3 2 382.527 3.889 20 0 GHADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cc(Cl)cc2c1OCC2 ZINC001462213750 1070088032 /nfs/dbraw/zinc/08/80/32/1070088032.db2.gz DBVVUMZVIIZIDL-UHFFFAOYSA-N 2 2 399.966 3.525 20 0 GHADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cc(Cl)cc2c1OCC2 ZINC001462213750 1070088047 /nfs/dbraw/zinc/08/80/47/1070088047.db2.gz DBVVUMZVIIZIDL-UHFFFAOYSA-N 2 2 399.966 3.525 20 0 GHADLP FC(F)(F)[C@@H]1C[N@H+](Cc2ccccc2)CCN1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246993123 1037817015 /nfs/dbraw/zinc/81/70/15/1037817015.db2.gz KPLXLXHIKXLBKN-SLFFLAALSA-N 2 2 381.486 3.657 20 0 GHADLP FC(F)(F)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246993123 1037817037 /nfs/dbraw/zinc/81/70/37/1037817037.db2.gz KPLXLXHIKXLBKN-SLFFLAALSA-N 2 2 381.486 3.657 20 0 GHADLP CC(C)[C@@H]1C[C@@H]([NH+]2CCN([C@H](C)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001247019734 1037842102 /nfs/dbraw/zinc/84/21/02/1037842102.db2.gz ZRHGGZRMXBYBPA-UXPWSPDFSA-N 2 2 394.401 3.904 20 0 GHADLP COc1cc(-c2nc3cc(F)ccc3n2C2CC[NH2+]CC2)ccc1-n1cc[nH+]c1 ZINC001247030125 1037848920 /nfs/dbraw/zinc/84/89/20/1037848920.db2.gz RJPMXCSJDCVRRT-UHFFFAOYSA-N 2 2 391.450 3.961 20 0 GHADLP CCOc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1C ZINC001232308376 1038060475 /nfs/dbraw/zinc/06/04/75/1038060475.db2.gz IPAZTQNMVPHMPE-MDNUFGMLSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1C ZINC001232308376 1038060492 /nfs/dbraw/zinc/06/04/92/1038060492.db2.gz IPAZTQNMVPHMPE-MDNUFGMLSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1C ZINC001232308376 1038060516 /nfs/dbraw/zinc/06/05/16/1038060516.db2.gz IPAZTQNMVPHMPE-MDNUFGMLSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1C ZINC001232308376 1038060536 /nfs/dbraw/zinc/06/05/36/1038060536.db2.gz IPAZTQNMVPHMPE-MDNUFGMLSA-N 2 2 394.563 3.916 20 0 GHADLP CCc1csc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001232471692 1038258020 /nfs/dbraw/zinc/25/80/20/1038258020.db2.gz PYIWEDLRAPUPQM-UHFFFAOYSA-N 2 2 385.577 3.881 20 0 GHADLP CCc1csc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001232471692 1038258032 /nfs/dbraw/zinc/25/80/32/1038258032.db2.gz PYIWEDLRAPUPQM-UHFFFAOYSA-N 2 2 385.577 3.881 20 0 GHADLP Cc1cc(-c2noc(-c3ccc([C@H]([NH3+])C[NH3+])cc3)n2)c(Br)cc1F ZINC001247702433 1038341197 /nfs/dbraw/zinc/34/11/97/1038341197.db2.gz YCZKMTZUBXEGQX-OAHLLOKOSA-N 2 2 391.244 3.572 20 0 GHADLP c1ccc(COc2cccc(-c3noc([C@H]4CCC5(CC[NH2+]CC5)[NH2+]4)n3)c2)cc1 ZINC001247861911 1038432604 /nfs/dbraw/zinc/43/26/04/1038432604.db2.gz SQONAHIPDFKJDD-HXUWFJFHSA-N 2 2 390.487 3.862 20 0 GHADLP c1ccc(COc2ccc(-c3noc([C@@H]4CCC5(CC[NH2+]CC5)[NH2+]4)n3)cc2)cc1 ZINC001247862587 1038433680 /nfs/dbraw/zinc/43/36/80/1038433680.db2.gz WOBNAYHEXORFED-FQEVSTJZSA-N 2 2 390.487 3.862 20 0 GHADLP FC(F)(F)c1ccc(Cl)c(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c1 ZINC001247862802 1038433721 /nfs/dbraw/zinc/43/37/21/1038433721.db2.gz XMCGQCDIHYDEJF-CYBMUJFWSA-N 2 2 386.805 3.956 20 0 GHADLP COc1ccccc1-c1ccccc1-c1noc([C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001247869882 1038438459 /nfs/dbraw/zinc/43/84/59/1038438459.db2.gz ZBRZZYOFDMBIKH-IBGZPJMESA-N 2 2 390.487 3.959 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4cccc5ncsc54)CC3)C2)co1 ZINC001232731943 1038523028 /nfs/dbraw/zinc/52/30/28/1038523028.db2.gz WEDQQBVCUDDRNM-UHFFFAOYSA-N 2 2 383.517 3.756 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc5ncsc54)CC3)C2)co1 ZINC001232731943 1038523043 /nfs/dbraw/zinc/52/30/43/1038523043.db2.gz WEDQQBVCUDDRNM-UHFFFAOYSA-N 2 2 383.517 3.756 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH+]2CC(c3ccc(F)cc3)C2)c2c1OC(F)(F)O2 ZINC001462315686 1070164302 /nfs/dbraw/zinc/16/43/02/1070164302.db2.gz MSTSVAJTEAWBAA-UHFFFAOYSA-N 2 2 378.394 3.808 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4cc5cccnc5s4)CC3)C2)co1 ZINC001233346446 1039157790 /nfs/dbraw/zinc/15/77/90/1039157790.db2.gz DYZMGUTZVWWCMM-UHFFFAOYSA-N 2 2 383.517 3.756 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4cc5cccnc5s4)CC3)C2)co1 ZINC001233346446 1039157793 /nfs/dbraw/zinc/15/77/93/1039157793.db2.gz DYZMGUTZVWWCMM-UHFFFAOYSA-N 2 2 383.517 3.756 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1cccc3[nH+]ccn31)CC2 ZINC001233361455 1039189941 /nfs/dbraw/zinc/18/99/41/1039189941.db2.gz PHVDRZIXLCUSJB-UHFFFAOYSA-N 2 2 379.508 3.570 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1cccc3[nH+]ccn31)CC2 ZINC001233361455 1039189950 /nfs/dbraw/zinc/18/99/50/1039189950.db2.gz PHVDRZIXLCUSJB-UHFFFAOYSA-N 2 2 379.508 3.570 20 0 GHADLP Brc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cs1 ZINC001233413470 1039266225 /nfs/dbraw/zinc/26/62/25/1039266225.db2.gz UDQDYSDPFPVGSA-SJORKVTESA-N 2 2 392.366 3.860 20 0 GHADLP Brc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cs1 ZINC001233413470 1039266243 /nfs/dbraw/zinc/26/62/43/1039266243.db2.gz UDQDYSDPFPVGSA-SJORKVTESA-N 2 2 392.366 3.860 20 0 GHADLP Brc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cs1 ZINC001233413470 1039266257 /nfs/dbraw/zinc/26/62/57/1039266257.db2.gz UDQDYSDPFPVGSA-SJORKVTESA-N 2 2 392.366 3.860 20 0 GHADLP Brc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cs1 ZINC001233413470 1039266265 /nfs/dbraw/zinc/26/62/65/1039266265.db2.gz UDQDYSDPFPVGSA-SJORKVTESA-N 2 2 392.366 3.860 20 0 GHADLP Clc1ccc2cc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccc2n1 ZINC001233443276 1039325159 /nfs/dbraw/zinc/32/51/59/1039325159.db2.gz YDYRNRUYOQMXAD-PMACEKPBSA-N 2 2 378.907 3.847 20 0 GHADLP COc1cc(C[NH+](CCOC(C)C)CCOC(C)C)ccc1-n1cc[nH+]c1 ZINC001234067395 1039802692 /nfs/dbraw/zinc/80/26/92/1039802692.db2.gz TXQZAWZAJKTFRM-UHFFFAOYSA-N 2 2 375.513 3.533 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001254209062 1040063711 /nfs/dbraw/zinc/06/37/11/1040063711.db2.gz JQVQZXZNCSIYKS-ROUUACIJSA-N 2 2 375.513 3.633 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001254209062 1040063722 /nfs/dbraw/zinc/06/37/22/1040063722.db2.gz JQVQZXZNCSIYKS-ROUUACIJSA-N 2 2 375.513 3.633 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc(OCc2ccccc2)c1OC ZINC001235000159 1040494812 /nfs/dbraw/zinc/49/48/12/1040494812.db2.gz PBLUABFKKRVPQS-DEOSSOPVSA-N 2 2 396.531 3.858 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc(OCc2ccccc2)c1OC ZINC001235000159 1040494820 /nfs/dbraw/zinc/49/48/20/1040494820.db2.gz PBLUABFKKRVPQS-DEOSSOPVSA-N 2 2 396.531 3.858 20 0 GHADLP Brc1ccc2sc(C[N@@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cc2c1 ZINC001235008847 1040498750 /nfs/dbraw/zinc/49/87/50/1040498750.db2.gz RMJNLZLQDPAENG-SFHVURJKSA-N 2 2 395.366 3.866 20 0 GHADLP Brc1ccc2sc(C[N@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cc2c1 ZINC001235008847 1040498768 /nfs/dbraw/zinc/49/87/68/1040498768.db2.gz RMJNLZLQDPAENG-SFHVURJKSA-N 2 2 395.366 3.866 20 0 GHADLP CCOCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC1 ZINC001235033054 1040525217 /nfs/dbraw/zinc/52/52/17/1040525217.db2.gz BCVWKJCNLSNZTN-UHFFFAOYSA-N 2 2 378.314 3.883 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](n1c[nH+]cc1-c1cccc(C[NH3+])c1)C2 ZINC001254771589 1040530776 /nfs/dbraw/zinc/53/07/76/1040530776.db2.gz FMLBWNVBVJNGKX-SFHVURJKSA-N 2 2 382.508 3.971 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)C[C@@H]2c2ccccc21 ZINC001254855589 1040600877 /nfs/dbraw/zinc/60/08/77/1040600877.db2.gz OQXZNCHYCMVXAF-SBHAEUEKSA-N 2 2 397.563 3.941 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2C[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)C[C@@H]2c2ccccc21 ZINC001254855589 1040600894 /nfs/dbraw/zinc/60/08/94/1040600894.db2.gz OQXZNCHYCMVXAF-SBHAEUEKSA-N 2 2 397.563 3.941 20 0 GHADLP FC1(F)CC[N@@H+]([C@@H]2CC3CC[NH+](CC3)C2)C[C@]12CCN(c1ccccc1)C2 ZINC001254856519 1040601352 /nfs/dbraw/zinc/60/13/52/1040601352.db2.gz IAOTUGGYVDFUSG-NHCUHLMSSA-N 2 2 375.507 3.708 20 0 GHADLP FC1(F)CC[N@H+]([C@@H]2CC3CC[NH+](CC3)C2)C[C@]12CCN(c1ccccc1)C2 ZINC001254856519 1040601356 /nfs/dbraw/zinc/60/13/56/1040601356.db2.gz IAOTUGGYVDFUSG-NHCUHLMSSA-N 2 2 375.507 3.708 20 0 GHADLP FC(F)(F)c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)o1 ZINC001235113847 1040603466 /nfs/dbraw/zinc/60/34/66/1040603466.db2.gz GTUNJJIFVCNKTG-LJQANCHMSA-N 2 2 380.410 3.920 20 0 GHADLP FC(F)(F)c1ccccc1-c1ccc(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)o1 ZINC001235113847 1040603485 /nfs/dbraw/zinc/60/34/85/1040603485.db2.gz GTUNJJIFVCNKTG-LJQANCHMSA-N 2 2 380.410 3.920 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+]C[C@@H]3CCC[N@@H+]3Cc3ccccc3)C[C@@H]2C1 ZINC001254897405 1040651696 /nfs/dbraw/zinc/65/16/96/1040651696.db2.gz GGKDQQLCEVVSGR-CBPXPLCBSA-N 2 2 399.579 3.886 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+]C[C@@H]3CCC[N@H+]3Cc3ccccc3)C[C@@H]2C1 ZINC001254897405 1040651704 /nfs/dbraw/zinc/65/17/04/1040651704.db2.gz GGKDQQLCEVVSGR-CBPXPLCBSA-N 2 2 399.579 3.886 20 0 GHADLP CCOC(=O)C(CC)(CC)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC001462484632 1070293871 /nfs/dbraw/zinc/29/38/71/1070293871.db2.gz MOOHDOFVNUSWKW-UHFFFAOYSA-N 2 2 375.557 3.681 20 0 GHADLP [NH3+]C1(Cc2cccnc2)CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255132548 1040829642 /nfs/dbraw/zinc/82/96/42/1040829642.db2.gz MMKYNSRFKDMNHL-BKFWDETESA-N 3 2 390.575 3.613 20 0 GHADLP [NH3+]C1(Cc2cccnc2)CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255132548 1040829658 /nfs/dbraw/zinc/82/96/58/1040829658.db2.gz MMKYNSRFKDMNHL-BKFWDETESA-N 3 2 390.575 3.613 20 0 GHADLP COc1ccc2c(C[N@@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)c[nH]c2c1 ZINC001235365783 1040859912 /nfs/dbraw/zinc/85/99/12/1040859912.db2.gz PJCYBOGBHQCNIQ-RDPSFJRHSA-N 2 2 375.516 3.930 20 0 GHADLP COc1ccc2c(C[N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)c[nH]c2c1 ZINC001235365783 1040859932 /nfs/dbraw/zinc/85/99/32/1040859932.db2.gz PJCYBOGBHQCNIQ-RDPSFJRHSA-N 2 2 375.516 3.930 20 0 GHADLP FC(F)(F)c1cccnc1C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235368158 1040867245 /nfs/dbraw/zinc/86/72/45/1040867245.db2.gz ITALKBZYGKHYGO-XLIONFOSSA-N 2 2 375.438 3.854 20 0 GHADLP FC(F)(F)c1cccnc1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235368158 1040867274 /nfs/dbraw/zinc/86/72/74/1040867274.db2.gz ITALKBZYGKHYGO-XLIONFOSSA-N 2 2 375.438 3.854 20 0 GHADLP Cc1c[nH+]ccc1N1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255150801 1040872641 /nfs/dbraw/zinc/87/26/41/1040872641.db2.gz OTXDYWQKHDENJE-JKHIJQBDSA-N 3 2 376.548 3.708 20 0 GHADLP Cc1c[nH+]ccc1N1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255150801 1040872677 /nfs/dbraw/zinc/87/26/77/1040872677.db2.gz OTXDYWQKHDENJE-JKHIJQBDSA-N 3 2 376.548 3.708 20 0 GHADLP COc1ncc(C2CC2)cc1C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235382056 1040902674 /nfs/dbraw/zinc/90/26/74/1040902674.db2.gz MHPWLNXFDYTDEA-VWNXMTODSA-N 2 2 377.532 3.721 20 0 GHADLP COc1ncc(C2CC2)cc1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235382056 1040902681 /nfs/dbraw/zinc/90/26/81/1040902681.db2.gz MHPWLNXFDYTDEA-VWNXMTODSA-N 2 2 377.532 3.721 20 0 GHADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)c1 ZINC001235534054 1040978463 /nfs/dbraw/zinc/97/84/63/1040978463.db2.gz XUGFGNFJGWCWCI-HJNYFJLDSA-N 2 2 399.970 3.615 20 0 GHADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)c1 ZINC001235534054 1040978464 /nfs/dbraw/zinc/97/84/64/1040978464.db2.gz XUGFGNFJGWCWCI-HJNYFJLDSA-N 2 2 399.970 3.615 20 0 GHADLP Cc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001235534054 1040978467 /nfs/dbraw/zinc/97/84/67/1040978467.db2.gz XUGFGNFJGWCWCI-HJNYFJLDSA-N 2 2 399.970 3.615 20 0 GHADLP Cc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001235534054 1040978470 /nfs/dbraw/zinc/97/84/70/1040978470.db2.gz XUGFGNFJGWCWCI-HJNYFJLDSA-N 2 2 399.970 3.615 20 0 GHADLP Fc1ccccc1CN1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255403331 1040990814 /nfs/dbraw/zinc/99/08/14/1040990814.db2.gz OTGFATFNTRLALQ-QHCPKHFHSA-N 2 2 381.539 3.998 20 0 GHADLP Fc1ccccc1CN1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255403331 1040990820 /nfs/dbraw/zinc/99/08/20/1040990820.db2.gz OTGFATFNTRLALQ-QHCPKHFHSA-N 2 2 381.539 3.998 20 0 GHADLP O=C(C[C@@H]1CC2(CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)c2ccccc21)NC1CCC1 ZINC001235598325 1041011786 /nfs/dbraw/zinc/01/17/86/1041011786.db2.gz XMNZZYCVUYHVHP-CTNGQTDRSA-N 2 2 395.591 3.708 20 0 GHADLP Clc1ccc(CO[C@H]2CC[N@@H+](Cc3nc4c(s3)C[NH2+]CC4)C2)c(Cl)c1 ZINC001235710745 1041191724 /nfs/dbraw/zinc/19/17/24/1041191724.db2.gz SBWDFHXHSZCQMZ-AWEZNQCLSA-N 2 2 398.359 3.887 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC001235773315 1041261733 /nfs/dbraw/zinc/26/17/33/1041261733.db2.gz NMHZUPRUGQGPKG-INIZCTEOSA-N 2 2 379.570 3.615 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC001235773315 1041261752 /nfs/dbraw/zinc/26/17/52/1041261752.db2.gz NMHZUPRUGQGPKG-INIZCTEOSA-N 2 2 379.570 3.615 20 0 GHADLP COCCC[N@H+](Cc1cn(C)c2ccc(Br)cc12)[C@H]1CCC[NH2+]C1 ZINC001235807556 1041316052 /nfs/dbraw/zinc/31/60/52/1041316052.db2.gz OCYYKHSYDLQSPD-KRWDZBQOSA-N 2 2 394.357 3.531 20 0 GHADLP COCCC[N@@H+](Cc1cn(C)c2ccc(Br)cc12)[C@H]1CCC[NH2+]C1 ZINC001235807556 1041316080 /nfs/dbraw/zinc/31/60/80/1041316080.db2.gz OCYYKHSYDLQSPD-KRWDZBQOSA-N 2 2 394.357 3.531 20 0 GHADLP CC1([NH+]2CCN(Cc3c(Cl)cccc3C(F)(F)F)CC2)CC[NH2+]CC1 ZINC001235816734 1041333208 /nfs/dbraw/zinc/33/32/08/1041333208.db2.gz XUJPJBBNSYWNMS-UHFFFAOYSA-N 2 2 375.866 3.619 20 0 GHADLP CC(C)Oc1cc(CN2CC[NH+](C3(C)CC[NH2+]CC3)CC2)cc(OC(C)C)c1 ZINC001235819441 1041337141 /nfs/dbraw/zinc/33/71/41/1041337141.db2.gz FBUYNMSBDNVQFC-UHFFFAOYSA-N 2 2 389.584 3.521 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2nnc(Cc3ccccc3F)o2)cc1 ZINC001255873731 1041369455 /nfs/dbraw/zinc/36/94/55/1041369455.db2.gz GNHBRXJZDFSLEA-UHFFFAOYSA-N 2 2 382.483 3.850 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2nnc(Cc3ccccc3F)o2)cc1 ZINC001255873731 1041369477 /nfs/dbraw/zinc/36/94/77/1041369477.db2.gz GNHBRXJZDFSLEA-UHFFFAOYSA-N 2 2 382.483 3.850 20 0 GHADLP Clc1ccc(I)cc1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236005634 1041496815 /nfs/dbraw/zinc/49/68/15/1041496815.db2.gz LSRBFQTUWOXOFY-UHFFFAOYSA-N 2 2 390.696 3.520 20 0 GHADLP FC(F)(F)Oc1cccc(Br)c1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236007174 1041498982 /nfs/dbraw/zinc/49/89/82/1041498982.db2.gz UKGDSTLAQAMFDD-UHFFFAOYSA-N 2 2 393.247 3.923 20 0 GHADLP CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC001236090975 1041528585 /nfs/dbraw/zinc/52/85/85/1041528585.db2.gz PYZDNZWGEIZOST-FQEVSTJZSA-N 2 2 386.561 3.984 20 0 GHADLP CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC001236090975 1041528594 /nfs/dbraw/zinc/52/85/94/1041528594.db2.gz PYZDNZWGEIZOST-FQEVSTJZSA-N 2 2 386.561 3.984 20 0 GHADLP COc1ccc(C2=NO[C@H](C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)cc1C ZINC001462548625 1070350707 /nfs/dbraw/zinc/35/07/07/1070350707.db2.gz FESPIMGOUVFPQF-QFIPXVFZSA-N 2 2 393.531 3.751 20 0 GHADLP Brc1ccc2c(c1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1)OCO2 ZINC001236373965 1041685920 /nfs/dbraw/zinc/68/59/20/1041685920.db2.gz AKUJLZGGLGEDRB-CQSZACIVSA-N 2 2 395.341 3.922 20 0 GHADLP Brc1ccc2c(c1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1)OCO2 ZINC001236373965 1041685924 /nfs/dbraw/zinc/68/59/24/1041685924.db2.gz AKUJLZGGLGEDRB-CQSZACIVSA-N 2 2 395.341 3.922 20 0 GHADLP Nc1c(Br)cccc1C[N@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236406788 1041703615 /nfs/dbraw/zinc/70/36/15/1041703615.db2.gz KIQJJOKYBNXSMO-UHFFFAOYSA-N 2 2 392.316 3.925 20 0 GHADLP Nc1c(Br)cccc1C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236406788 1041703624 /nfs/dbraw/zinc/70/36/24/1041703624.db2.gz KIQJJOKYBNXSMO-UHFFFAOYSA-N 2 2 392.316 3.925 20 0 GHADLP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3ccc(F)c(F)c3Cl)CC2)C1 ZINC001278936018 1041727686 /nfs/dbraw/zinc/72/76/86/1041727686.db2.gz YEHKLDPRHAGWEL-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3ccc(F)c(F)c3Cl)CC2)C1 ZINC001278936018 1041727692 /nfs/dbraw/zinc/72/76/92/1041727692.db2.gz YEHKLDPRHAGWEL-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP COC(=O)c1cc(F)cc(C[N@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)c1 ZINC001236509692 1041746432 /nfs/dbraw/zinc/74/64/32/1041746432.db2.gz LKCBOUWFEZWRDH-UHFFFAOYSA-N 2 2 388.458 3.814 20 0 GHADLP COC(=O)c1cc(F)cc(C[N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)c1 ZINC001236509692 1041746441 /nfs/dbraw/zinc/74/64/41/1041746441.db2.gz LKCBOUWFEZWRDH-UHFFFAOYSA-N 2 2 388.458 3.814 20 0 GHADLP COC(=O)c1cc(Br)cc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236654620 1041806142 /nfs/dbraw/zinc/80/61/42/1041806142.db2.gz QGLKELZSYZRWGN-SFHVURJKSA-N 2 2 395.341 3.732 20 0 GHADLP COC(=O)c1cc(Br)cc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236654620 1041806145 /nfs/dbraw/zinc/80/61/45/1041806145.db2.gz QGLKELZSYZRWGN-SFHVURJKSA-N 2 2 395.341 3.732 20 0 GHADLP COc1ccc2[nH]nc(C[N@H+](Cc3ccccc3OC)[C@H]3CC[C@H]([NH3+])CC3)c2c1 ZINC001236710145 1041847428 /nfs/dbraw/zinc/84/74/28/1041847428.db2.gz ODKATROXCXMZKE-IYARVYRRSA-N 2 2 394.519 3.852 20 0 GHADLP COc1ccc2[nH]nc(C[N@@H+](Cc3ccccc3OC)[C@H]3CC[C@H]([NH3+])CC3)c2c1 ZINC001236710145 1041847435 /nfs/dbraw/zinc/84/74/35/1041847435.db2.gz ODKATROXCXMZKE-IYARVYRRSA-N 2 2 394.519 3.852 20 0 GHADLP CCOc1cncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001236839147 1041924293 /nfs/dbraw/zinc/92/42/93/1041924293.db2.gz ROYMNPZOYPHIPI-WWPVKYPJSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1cncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001236839147 1041924300 /nfs/dbraw/zinc/92/43/00/1041924300.db2.gz ROYMNPZOYPHIPI-WWPVKYPJSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1cncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001236839147 1041924301 /nfs/dbraw/zinc/92/43/01/1041924301.db2.gz ROYMNPZOYPHIPI-WWPVKYPJSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1cncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001236839147 1041924303 /nfs/dbraw/zinc/92/43/03/1041924303.db2.gz ROYMNPZOYPHIPI-WWPVKYPJSA-N 2 2 380.536 3.608 20 0 GHADLP Cc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)c1Cl ZINC001236854140 1041929789 /nfs/dbraw/zinc/92/97/89/1041929789.db2.gz SEMALXBMKXMFCP-AABGKKOBSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)c1Cl ZINC001236854140 1041929790 /nfs/dbraw/zinc/92/97/90/1041929790.db2.gz SEMALXBMKXMFCP-AABGKKOBSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1cccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)c1Cl ZINC001236854140 1041929793 /nfs/dbraw/zinc/92/97/93/1041929793.db2.gz SEMALXBMKXMFCP-AABGKKOBSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1cccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)c1Cl ZINC001236854140 1041929794 /nfs/dbraw/zinc/92/97/94/1041929794.db2.gz SEMALXBMKXMFCP-AABGKKOBSA-N 2 2 387.959 3.613 20 0 GHADLP CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC[C@@H]21 ZINC001236903990 1041948564 /nfs/dbraw/zinc/94/85/64/1041948564.db2.gz LDXMQSBAWWAQGL-HKUYNNGSSA-N 2 2 386.927 3.605 20 0 GHADLP CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC[C@@H]21 ZINC001236903990 1041948568 /nfs/dbraw/zinc/94/85/68/1041948568.db2.gz LDXMQSBAWWAQGL-HKUYNNGSSA-N 2 2 386.927 3.605 20 0 GHADLP O=C1CC2(CN1CC1CC1)CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)CC2 ZINC001236929986 1041963121 /nfs/dbraw/zinc/96/31/21/1041963121.db2.gz URUYEJPMNMZVSR-UHFFFAOYSA-N 2 2 398.938 3.750 20 0 GHADLP c1ccc(COc2cccc(N3CC[NH+](CC[C@@H]4CCCC[NH2+]4)CC3)c2)cc1 ZINC001237015674 1041991447 /nfs/dbraw/zinc/99/14/47/1041991447.db2.gz MOKOMVRQCXWEOW-QFIPXVFZSA-N 2 2 379.548 3.920 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1CN1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001237040867 1042000841 /nfs/dbraw/zinc/00/08/41/1042000841.db2.gz CGCPEBKYXAPHIA-SFHVURJKSA-N 2 2 398.567 3.614 20 0 GHADLP c1cc(C2CCC2)ccc1C[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001237105111 1042039352 /nfs/dbraw/zinc/03/93/52/1042039352.db2.gz LJMHMMKHYLDUNF-UHFFFAOYSA-N 2 2 379.552 3.590 20 0 GHADLP c1cc(C2CCC2)ccc1C[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001237105111 1042039356 /nfs/dbraw/zinc/03/93/56/1042039356.db2.gz LJMHMMKHYLDUNF-UHFFFAOYSA-N 2 2 379.552 3.590 20 0 GHADLP CCOC(=O)c1nc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)sc1C ZINC001237241128 1042104027 /nfs/dbraw/zinc/10/40/27/1042104027.db2.gz MHXQFKKBOMXMJL-UHFFFAOYSA-N 2 2 399.560 3.726 20 0 GHADLP C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001237461382 1042217985 /nfs/dbraw/zinc/21/79/85/1042217985.db2.gz FUENYQDXASMDGQ-APWZRJJASA-N 2 2 380.374 3.660 20 0 GHADLP Cc1c(Cl)cccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001237735256 1042344904 /nfs/dbraw/zinc/34/49/04/1042344904.db2.gz ZHHOCUYZZGBVKM-DYXWJJEUSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1c(Cl)cccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001237735256 1042344909 /nfs/dbraw/zinc/34/49/09/1042344909.db2.gz ZHHOCUYZZGBVKM-DYXWJJEUSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1c(Cl)cccc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001237735256 1042344918 /nfs/dbraw/zinc/34/49/18/1042344918.db2.gz ZHHOCUYZZGBVKM-DYXWJJEUSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1c(Cl)cccc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001237735256 1042344920 /nfs/dbraw/zinc/34/49/20/1042344920.db2.gz ZHHOCUYZZGBVKM-DYXWJJEUSA-N 2 2 387.959 3.613 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cncc(C4CC4)c3)CC[C@@H]21 ZINC001238185500 1042512580 /nfs/dbraw/zinc/51/25/80/1042512580.db2.gz OGFPLSDIRMAMDM-VJBWXMMDSA-N 2 2 379.552 3.529 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cncc(C4CC4)c3)CC[C@@H]21 ZINC001238185500 1042512584 /nfs/dbraw/zinc/51/25/84/1042512584.db2.gz OGFPLSDIRMAMDM-VJBWXMMDSA-N 2 2 379.552 3.529 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3cncc(C4CC4)c3)CC[C@@H]21 ZINC001238185500 1042512586 /nfs/dbraw/zinc/51/25/86/1042512586.db2.gz OGFPLSDIRMAMDM-VJBWXMMDSA-N 2 2 379.552 3.529 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3cncc(C4CC4)c3)CC[C@@H]21 ZINC001238185500 1042512592 /nfs/dbraw/zinc/51/25/92/1042512592.db2.gz OGFPLSDIRMAMDM-VJBWXMMDSA-N 2 2 379.552 3.529 20 0 GHADLP CCOc1cccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c1Br ZINC001238689947 1042686061 /nfs/dbraw/zinc/68/60/61/1042686061.db2.gz NDSQUUZDHGAZKO-UHFFFAOYSA-N 2 2 390.325 3.873 20 0 GHADLP CC(C)Oc1cc(F)ccc1C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001238693471 1042688348 /nfs/dbraw/zinc/68/83/48/1042688348.db2.gz UIYFBCLZFXAPGM-NFBKMPQASA-N 2 2 390.543 3.793 20 0 GHADLP CC(C)Oc1cc(F)ccc1C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001238693471 1042688349 /nfs/dbraw/zinc/68/83/49/1042688349.db2.gz UIYFBCLZFXAPGM-NFBKMPQASA-N 2 2 390.543 3.793 20 0 GHADLP CC(C)Oc1cc(F)ccc1C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001238693471 1042688351 /nfs/dbraw/zinc/68/83/51/1042688351.db2.gz UIYFBCLZFXAPGM-NFBKMPQASA-N 2 2 390.543 3.793 20 0 GHADLP CC(C)Oc1cc(F)ccc1C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001238693471 1042688354 /nfs/dbraw/zinc/68/83/54/1042688354.db2.gz UIYFBCLZFXAPGM-NFBKMPQASA-N 2 2 390.543 3.793 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(C(=O)NC3CCCCC3)cc2)C1 ZINC001239919032 1042863334 /nfs/dbraw/zinc/86/33/34/1042863334.db2.gz SDUNCXAECFIOSE-OAQYLSRUSA-N 2 2 377.532 3.949 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(C(=O)NC3CCCCC3)cc2)C1 ZINC001239919032 1042863338 /nfs/dbraw/zinc/86/33/38/1042863338.db2.gz SDUNCXAECFIOSE-OAQYLSRUSA-N 2 2 377.532 3.949 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc(C(=O)NCc3ccccc3)c2)C1 ZINC001240077126 1042883621 /nfs/dbraw/zinc/88/36/21/1042883621.db2.gz IUPHEKLPGVMEQG-HSZRJFAPSA-N 2 2 385.511 3.817 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc(C(=O)NCc3ccccc3)c2)C1 ZINC001240077126 1042883624 /nfs/dbraw/zinc/88/36/24/1042883624.db2.gz IUPHEKLPGVMEQG-HSZRJFAPSA-N 2 2 385.511 3.817 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555687 1043524372 /nfs/dbraw/zinc/52/43/72/1043524372.db2.gz VPEXPSAKWFJJPN-CEWLAPEOSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256555687 1043524380 /nfs/dbraw/zinc/52/43/80/1043524380.db2.gz VPEXPSAKWFJJPN-CEWLAPEOSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@H]1C[C@H]([N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256555687 1043524386 /nfs/dbraw/zinc/52/43/86/1043524386.db2.gz VPEXPSAKWFJJPN-CEWLAPEOSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@H]1C[C@H]([N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256555687 1043524392 /nfs/dbraw/zinc/52/43/92/1043524392.db2.gz VPEXPSAKWFJJPN-CEWLAPEOSA-N 2 2 387.568 3.981 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256556940 1043527072 /nfs/dbraw/zinc/52/70/72/1043527072.db2.gz JHPSJYXDMAMDGD-CEMLEFRQSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256556940 1043527081 /nfs/dbraw/zinc/52/70/81/1043527081.db2.gz JHPSJYXDMAMDGD-CEMLEFRQSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256556940 1043527086 /nfs/dbraw/zinc/52/70/86/1043527086.db2.gz JHPSJYXDMAMDGD-CEMLEFRQSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256556940 1043527095 /nfs/dbraw/zinc/52/70/95/1043527095.db2.gz JHPSJYXDMAMDGD-CEMLEFRQSA-N 2 2 380.536 3.681 20 0 GHADLP COC(=O)[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC001256606228 1043571144 /nfs/dbraw/zinc/57/11/44/1043571144.db2.gz SBGOVLCVLDMKRV-PKTZIBPZSA-N 2 2 378.516 3.887 20 0 GHADLP COC(=O)[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC001256606228 1043571157 /nfs/dbraw/zinc/57/11/57/1043571157.db2.gz SBGOVLCVLDMKRV-PKTZIBPZSA-N 2 2 378.516 3.887 20 0 GHADLP [NH3+]C[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Br)cc1 ZINC001256798651 1043658095 /nfs/dbraw/zinc/65/80/95/1043658095.db2.gz JUYLCHGRGATIKW-FHWLQOOXSA-N 2 2 375.310 3.959 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@H]1CCO[C@H](c3ccccc3)C1)CC2 ZINC001256809030 1043664016 /nfs/dbraw/zinc/66/40/16/1043664016.db2.gz GADYXQIDJVSBGJ-CVDCTZTESA-N 2 2 382.552 3.804 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@H]1CCO[C@H](c3ccccc3)C1)CC2 ZINC001256809030 1043664028 /nfs/dbraw/zinc/66/40/28/1043664028.db2.gz GADYXQIDJVSBGJ-CVDCTZTESA-N 2 2 382.552 3.804 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@@H]1CCO[C@H](c3ccccc3)C1)CC2 ZINC001256809032 1043664830 /nfs/dbraw/zinc/66/48/30/1043664830.db2.gz GADYXQIDJVSBGJ-XXBNENTESA-N 2 2 382.552 3.804 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@@H]1CCO[C@H](c3ccccc3)C1)CC2 ZINC001256809032 1043664833 /nfs/dbraw/zinc/66/48/33/1043664833.db2.gz GADYXQIDJVSBGJ-XXBNENTESA-N 2 2 382.552 3.804 20 0 GHADLP CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001257048950 1043821737 /nfs/dbraw/zinc/82/17/37/1043821737.db2.gz ULSGBVGQESPHJO-YOEHRIQHSA-N 2 2 384.442 3.687 20 0 GHADLP CCOC(=O)c1ccc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)cc1 ZINC001257153913 1043902874 /nfs/dbraw/zinc/90/28/74/1043902874.db2.gz MUGDJCXSRIZGCL-GOSISDBHSA-N 2 2 396.531 3.754 20 0 GHADLP CC(C)C[NH+]1CCC(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)CC1 ZINC001292922125 1043947859 /nfs/dbraw/zinc/94/78/59/1043947859.db2.gz VMMJFKINIYUSQK-UHFFFAOYSA-N 2 2 397.567 3.855 20 0 GHADLP CCCCOC(=O)CC[C@@H](C)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001257378811 1043975304 /nfs/dbraw/zinc/97/53/04/1043975304.db2.gz LMZPENVVEQDQFP-OAHLLOKOSA-N 2 2 387.615 3.540 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001257805148 1044188025 /nfs/dbraw/zinc/18/80/25/1044188025.db2.gz PSSPOPQXZMUWHL-PGRDOPGGSA-N 2 2 384.524 3.994 20 0 GHADLP CCC(CC)(CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)[NH2+][C@@H](C)c1ccccc1 ZINC001293488231 1044209441 /nfs/dbraw/zinc/20/94/41/1044209441.db2.gz NQXYFUFABCTWPM-UWJYYQICSA-N 2 2 397.567 3.816 20 0 GHADLP CCC(CC)(CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)[NH2+][C@@H](C)c1ccccc1 ZINC001293488231 1044209451 /nfs/dbraw/zinc/20/94/51/1044209451.db2.gz NQXYFUFABCTWPM-UWJYYQICSA-N 2 2 397.567 3.816 20 0 GHADLP CC[NH+](CC)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257972338 1044293890 /nfs/dbraw/zinc/29/38/90/1044293890.db2.gz YGSJWUQCONWIBG-NHCUHLMSSA-N 2 2 389.584 3.929 20 0 GHADLP CC(C)C[NH+]1CCC([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001258014227 1044342849 /nfs/dbraw/zinc/34/28/49/1044342849.db2.gz GEFXCGHOPPZAMX-TUACAJSNSA-N 3 2 384.612 3.734 20 0 GHADLP CC(C)C[NH+]1CCC([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001258014227 1044342864 /nfs/dbraw/zinc/34/28/64/1044342864.db2.gz GEFXCGHOPPZAMX-TUACAJSNSA-N 3 2 384.612 3.734 20 0 GHADLP CC(C)C[NH+]1CCC([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001258014227 1044342880 /nfs/dbraw/zinc/34/28/80/1044342880.db2.gz GEFXCGHOPPZAMX-TUACAJSNSA-N 3 2 384.612 3.734 20 0 GHADLP CC(C)C[NH+]1CCC([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001258014227 1044342893 /nfs/dbraw/zinc/34/28/93/1044342893.db2.gz GEFXCGHOPPZAMX-TUACAJSNSA-N 3 2 384.612 3.734 20 0 GHADLP [NH3+]C1(Cc2ccccc2F)CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258137470 1044422452 /nfs/dbraw/zinc/42/24/52/1044422452.db2.gz IRRUBVONBKETDD-UHFFFAOYSA-N 3 2 395.566 3.869 20 0 GHADLP Fc1ccccc1C[NH+]1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258145990 1044433104 /nfs/dbraw/zinc/43/31/04/1044433104.db2.gz NYLTZLUJONYLPS-UHFFFAOYSA-N 2 2 381.539 3.650 20 0 GHADLP C[C@@H](Cc1ccco1)[NH+]1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001258198408 1044468104 /nfs/dbraw/zinc/46/81/04/1044468104.db2.gz YSYUOJQWTZVLEJ-KRWDZBQOSA-N 2 2 391.556 3.664 20 0 GHADLP CCCCC(CCCC)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001258385832 1044529423 /nfs/dbraw/zinc/52/94/23/1044529423.db2.gz LPUPHCWMGDYDPV-LJQANCHMSA-N 2 2 375.605 3.756 20 0 GHADLP CCCCC(CCCC)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001258385832 1044529438 /nfs/dbraw/zinc/52/94/38/1044529438.db2.gz LPUPHCWMGDYDPV-LJQANCHMSA-N 2 2 375.605 3.756 20 0 GHADLP COc1ccc(CC[C@@H](C)N(c2cccc[nH+]2)[C@@H]2COC3(C2)CC[NH2+]CC3)cc1 ZINC001258400755 1044535712 /nfs/dbraw/zinc/53/57/12/1044535712.db2.gz FHRHNHWTKNVHQC-CTNGQTDRSA-N 2 2 395.547 3.829 20 0 GHADLP C[NH+](C)CCC[NH+](CCC[NH+](C)C)C1CCN(c2ccccc2Cl)CC1 ZINC001258543918 1044619592 /nfs/dbraw/zinc/61/95/92/1044619592.db2.gz BRHYHXXHVBHHAB-UHFFFAOYSA-N 3 2 381.008 3.514 20 0 GHADLP C[C@@H](Cc1cccnc1)n1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC001258619756 1044671751 /nfs/dbraw/zinc/67/17/51/1044671751.db2.gz WXWZDVKGFZAVTL-SBUREZEXSA-N 2 2 399.498 3.744 20 0 GHADLP CCC[NH+]1CCC([NH2+][C@@H](CNC(=O)OC(C)(C)C)c2cccc(OC)c2)CC1 ZINC001258771646 1044757757 /nfs/dbraw/zinc/75/77/57/1044757757.db2.gz MSNJASFVZWHPRV-FQEVSTJZSA-N 2 2 391.556 3.725 20 0 GHADLP C[N@@H+]1CCCC2(CC[NH+](Cc3n[nH]c4cc(Br)ccc43)CC2)C1 ZINC001279296607 1047758710 /nfs/dbraw/zinc/75/87/10/1047758710.db2.gz CMRFDIVVBBWPBV-UHFFFAOYSA-N 2 2 377.330 3.633 20 0 GHADLP C[N@H+]1CCCC2(CC[NH+](Cc3n[nH]c4cc(Br)ccc43)CC2)C1 ZINC001279296607 1047758715 /nfs/dbraw/zinc/75/87/15/1047758715.db2.gz CMRFDIVVBBWPBV-UHFFFAOYSA-N 2 2 377.330 3.633 20 0 GHADLP COc1ccnc(Cl)c1C[NH+]1CCC2(C[NH+](Cc3scnc3C)C2)CC1 ZINC001279549195 1047837917 /nfs/dbraw/zinc/83/79/17/1047837917.db2.gz VPLGOPITWSNZNK-UHFFFAOYSA-N 2 2 392.956 3.607 20 0 GHADLP Cc1ncsc1C[N@@H+]1CCCC2(CC[NH+](Cc3nccnc3Cl)CC2)C1 ZINC001279641294 1047884126 /nfs/dbraw/zinc/88/41/26/1047884126.db2.gz HJKAFVJXXXBZLV-UHFFFAOYSA-N 2 2 391.972 3.773 20 0 GHADLP Cc1ncsc1C[N@H+]1CCCC2(CC[NH+](Cc3nccnc3Cl)CC2)C1 ZINC001279641294 1047884135 /nfs/dbraw/zinc/88/41/35/1047884135.db2.gz HJKAFVJXXXBZLV-UHFFFAOYSA-N 2 2 391.972 3.773 20 0 GHADLP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1csc(C(F)(F)F)c1)C2 ZINC001279712456 1047930995 /nfs/dbraw/zinc/93/09/95/1047930995.db2.gz ZTVCBNOQNNHRLX-QGZVFWFLSA-N 2 2 375.504 3.616 20 0 GHADLP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1csc(C(F)(F)F)c1)C2 ZINC001279712456 1047930998 /nfs/dbraw/zinc/93/09/98/1047930998.db2.gz ZTVCBNOQNNHRLX-QGZVFWFLSA-N 2 2 375.504 3.616 20 0 GHADLP C[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001307524184 1049368080 /nfs/dbraw/zinc/36/80/80/1049368080.db2.gz TZPRUJPAVAQLPP-GIVPXCGWSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001307524184 1049368094 /nfs/dbraw/zinc/36/80/94/1049368094.db2.gz TZPRUJPAVAQLPP-GIVPXCGWSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001307524184 1049368109 /nfs/dbraw/zinc/36/81/09/1049368109.db2.gz TZPRUJPAVAQLPP-GIVPXCGWSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001307524184 1049368118 /nfs/dbraw/zinc/36/81/18/1049368118.db2.gz TZPRUJPAVAQLPP-GIVPXCGWSA-N 2 2 387.568 3.886 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H]3CCN(c4ccc(C)cc4)C3=O)C2)s1 ZINC001307750352 1049563416 /nfs/dbraw/zinc/56/34/16/1049563416.db2.gz IJJLBTWYSMAHCI-DENIHFKCSA-N 2 2 397.588 3.924 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H]3CCN(c4ccc(C)cc4)C3=O)C2)s1 ZINC001307750352 1049563428 /nfs/dbraw/zinc/56/34/28/1049563428.db2.gz IJJLBTWYSMAHCI-DENIHFKCSA-N 2 2 397.588 3.924 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H]3CCN(c4ccc(C)cc4)C3=O)C2)s1 ZINC001307750352 1049563439 /nfs/dbraw/zinc/56/34/39/1049563439.db2.gz IJJLBTWYSMAHCI-DENIHFKCSA-N 2 2 397.588 3.924 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H]3CCN(c4ccc(C)cc4)C3=O)C2)s1 ZINC001307750352 1049563452 /nfs/dbraw/zinc/56/34/52/1049563452.db2.gz IJJLBTWYSMAHCI-DENIHFKCSA-N 2 2 397.588 3.924 20 0 GHADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@H]2CCC3(CCC3)O2)o1 ZINC001307761949 1049575280 /nfs/dbraw/zinc/57/52/80/1049575280.db2.gz VLMPVZQJVDEQBN-MRXNPFEDSA-N 2 2 394.313 3.843 20 0 GHADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@H]2CCC3(CCC3)O2)o1 ZINC001307761949 1049575288 /nfs/dbraw/zinc/57/52/88/1049575288.db2.gz VLMPVZQJVDEQBN-MRXNPFEDSA-N 2 2 394.313 3.843 20 0 GHADLP OCCCCCCC[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001307820960 1049615816 /nfs/dbraw/zinc/61/58/16/1049615816.db2.gz KKXGVEHDNLWMOD-UHFFFAOYSA-N 2 2 394.003 3.869 20 0 GHADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC001307875504 1049658110 /nfs/dbraw/zinc/65/81/10/1049658110.db2.gz NNMOQZUIFNBIGR-QGZVFWFLSA-N 2 2 386.927 3.891 20 0 GHADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC001307875504 1049658113 /nfs/dbraw/zinc/65/81/13/1049658113.db2.gz NNMOQZUIFNBIGR-QGZVFWFLSA-N 2 2 386.927 3.891 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001308035102 1049785767 /nfs/dbraw/zinc/78/57/67/1049785767.db2.gz RXWKUFKIHQNJFD-UYAOXDASSA-N 2 2 384.524 3.861 20 0 GHADLP Cc1ccccc1SC[C@@H](C)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001308040458 1049791782 /nfs/dbraw/zinc/79/17/82/1049791782.db2.gz PUAYQAIFYLIEFS-SFHVURJKSA-N 2 2 389.609 3.529 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC001308165852 1049896440 /nfs/dbraw/zinc/89/64/40/1049896440.db2.gz QRZYLYOIUBGCNW-OAQYLSRUSA-N 2 2 394.563 3.793 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC001308165852 1049896443 /nfs/dbraw/zinc/89/64/43/1049896443.db2.gz QRZYLYOIUBGCNW-OAQYLSRUSA-N 2 2 394.563 3.793 20 0 GHADLP CC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1OCC(=O)N(C)C ZINC001308209060 1049913632 /nfs/dbraw/zinc/91/36/32/1049913632.db2.gz UOBDGPSJEMWSSK-IBGZPJMESA-N 2 2 398.532 3.642 20 0 GHADLP CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC001308271451 1049932655 /nfs/dbraw/zinc/93/26/55/1049932655.db2.gz AVPIZVPRLULFGX-LJQANCHMSA-N 2 2 384.590 3.624 20 0 GHADLP Cc1csc(N2CCC([NH2+]C3CC[NH+]([C@@H](C)c4ccncc4)CC3)CC2)n1 ZINC001308338955 1049952845 /nfs/dbraw/zinc/95/28/45/1049952845.db2.gz RIVINNYVNPEQAY-KRWDZBQOSA-N 2 2 385.581 3.631 20 0 GHADLP Clc1ccccc1C1([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC001308445108 1049977831 /nfs/dbraw/zinc/97/78/31/1049977831.db2.gz FPNSIWVNFFVXSC-UHFFFAOYSA-N 2 2 386.923 3.830 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(C(F)(F)F)nc2N(C)C)[nH+]1 ZINC001308574598 1050015771 /nfs/dbraw/zinc/01/57/71/1050015771.db2.gz WYASCCQKOKRQMN-MRXNPFEDSA-N 2 2 393.457 3.946 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(C(F)(F)F)nc2N(C)C)[nH+]1 ZINC001308574598 1050015775 /nfs/dbraw/zinc/01/57/75/1050015775.db2.gz WYASCCQKOKRQMN-MRXNPFEDSA-N 2 2 393.457 3.946 20 0 GHADLP COC(=O)[C@@]1(F)CC[N@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001308575647 1050016541 /nfs/dbraw/zinc/01/65/41/1050016541.db2.gz BVPUAEDIULRTBH-FGZHOGPDSA-N 2 2 376.516 3.512 20 0 GHADLP COC(=O)[C@@]1(F)CC[N@@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001308575647 1050016550 /nfs/dbraw/zinc/01/65/50/1050016550.db2.gz BVPUAEDIULRTBH-FGZHOGPDSA-N 2 2 376.516 3.512 20 0 GHADLP COC(=O)[C@@]1(F)CC[NH+](C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001308575647 1050016564 /nfs/dbraw/zinc/01/65/64/1050016564.db2.gz BVPUAEDIULRTBH-FGZHOGPDSA-N 2 2 376.516 3.512 20 0 GHADLP COC(=O)[C@@]1(F)CC[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001308575647 1050016567 /nfs/dbraw/zinc/01/65/67/1050016567.db2.gz BVPUAEDIULRTBH-FGZHOGPDSA-N 2 2 376.516 3.512 20 0 GHADLP CC[N@H+](C[C@@H]1C[C@H]1c1cnn(C)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001308633324 1050042032 /nfs/dbraw/zinc/04/20/32/1050042032.db2.gz JTLJXLPZDSPXAE-GHTZIAJQSA-N 2 2 396.583 3.736 20 0 GHADLP CC[N@@H+](C[C@@H]1C[C@H]1c1cnn(C)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001308633324 1050042037 /nfs/dbraw/zinc/04/20/37/1050042037.db2.gz JTLJXLPZDSPXAE-GHTZIAJQSA-N 2 2 396.583 3.736 20 0 GHADLP CCc1[nH]c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1C(=O)OC ZINC001308713374 1050069165 /nfs/dbraw/zinc/06/91/65/1050069165.db2.gz IURITFUBJGTKMX-OAQYLSRUSA-N 2 2 383.536 3.754 20 0 GHADLP CCc1[nH]c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1C(=O)OC ZINC001308713374 1050069170 /nfs/dbraw/zinc/06/91/70/1050069170.db2.gz IURITFUBJGTKMX-OAQYLSRUSA-N 2 2 383.536 3.754 20 0 GHADLP COC(=O)c1cccc2c(C[NH2+][C@H](Cn3cc[nH+]c3)c3ccccc3)ccnc12 ZINC001308916861 1050165727 /nfs/dbraw/zinc/16/57/27/1050165727.db2.gz YAQSSZIGQHDFJW-OAQYLSRUSA-N 2 2 386.455 3.749 20 0 GHADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001308963881 1050226137 /nfs/dbraw/zinc/22/61/37/1050226137.db2.gz SEMLJYVQLGNXGI-QLBRKBSLSA-N 2 2 391.559 3.692 20 0 GHADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001308963881 1050226152 /nfs/dbraw/zinc/22/61/52/1050226152.db2.gz SEMLJYVQLGNXGI-QLBRKBSLSA-N 2 2 391.559 3.692 20 0 GHADLP Brc1ccc2oc(C[NH+]3CCC([NH2+]C4CCOCC4)CC3)cc2c1 ZINC001331566917 1051327346 /nfs/dbraw/zinc/32/73/46/1051327346.db2.gz ZORRGGGKWWOCNU-UHFFFAOYSA-N 2 2 393.325 3.928 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001333465189 1051745542 /nfs/dbraw/zinc/74/55/42/1051745542.db2.gz IQFOKPZNYBTDTC-LJQANCHMSA-N 3 2 389.547 3.783 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2Br)[nH+]1 ZINC001335414050 1052095348 /nfs/dbraw/zinc/09/53/48/1052095348.db2.gz VGGINUVZHANKGG-CRAIPNDOSA-N 2 2 390.325 3.762 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@@H](O)c2ccccc2Br)[nH+]1 ZINC001335414050 1052095353 /nfs/dbraw/zinc/09/53/53/1052095353.db2.gz VGGINUVZHANKGG-CRAIPNDOSA-N 2 2 390.325 3.762 20 0 GHADLP CCn1c(=S)n(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)nc1-c1cccs1 ZINC001336267371 1052249208 /nfs/dbraw/zinc/24/92/08/1052249208.db2.gz HITDOZYORZKCEY-XHSDSOJGSA-N 2 2 391.610 3.782 20 0 GHADLP CCn1c(=S)n(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)nc1-c1cccs1 ZINC001336267371 1052249218 /nfs/dbraw/zinc/24/92/18/1052249218.db2.gz HITDOZYORZKCEY-XHSDSOJGSA-N 2 2 391.610 3.782 20 0 GHADLP C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001313050495 1052943819 /nfs/dbraw/zinc/94/38/19/1052943819.db2.gz ODGHEAOHPFQMEN-GCJKJVERSA-N 2 2 389.503 3.507 20 0 GHADLP C[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001313050495 1052943822 /nfs/dbraw/zinc/94/38/22/1052943822.db2.gz ODGHEAOHPFQMEN-GCJKJVERSA-N 2 2 389.503 3.507 20 0 GHADLP O=C([C@@H]1CCCC[N@@H+]1Cc1cccnc1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001318370820 1054593412 /nfs/dbraw/zinc/59/34/12/1054593412.db2.gz YVISCXOPPWUBCJ-QHCPKHFHSA-N 2 2 398.595 3.551 20 0 GHADLP O=C([C@@H]1CCCC[N@H+]1Cc1cccnc1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001318370820 1054593424 /nfs/dbraw/zinc/59/34/24/1054593424.db2.gz YVISCXOPPWUBCJ-QHCPKHFHSA-N 2 2 398.595 3.551 20 0 GHADLP O=C([C@@H]1CCCC[NH+]1Cc1cccnc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001318370820 1054593438 /nfs/dbraw/zinc/59/34/38/1054593438.db2.gz YVISCXOPPWUBCJ-QHCPKHFHSA-N 2 2 398.595 3.551 20 0 GHADLP O=C([C@@H]1CCCC[NH+]1Cc1cccnc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001318370820 1054593451 /nfs/dbraw/zinc/59/34/51/1054593451.db2.gz YVISCXOPPWUBCJ-QHCPKHFHSA-N 2 2 398.595 3.551 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC001318504287 1054684910 /nfs/dbraw/zinc/68/49/10/1054684910.db2.gz PYEHCRKJHMRNQC-YADHBBJMSA-N 2 2 395.547 3.896 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC001318504287 1054684917 /nfs/dbraw/zinc/68/49/17/1054684917.db2.gz PYEHCRKJHMRNQC-YADHBBJMSA-N 2 2 395.547 3.896 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 ZINC001318549349 1054712791 /nfs/dbraw/zinc/71/27/91/1054712791.db2.gz QREMCIOPFJFEBQ-UHFFFAOYSA-N 2 2 385.596 3.500 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 ZINC001318549349 1054712808 /nfs/dbraw/zinc/71/28/08/1054712808.db2.gz QREMCIOPFJFEBQ-UHFFFAOYSA-N 2 2 385.596 3.500 20 0 GHADLP CCc1nc2ccc(C(=O)Nc3c[nH+]ccc3-n3cc[nH+]c3C)cc2nc1CC ZINC001318552030 1054714253 /nfs/dbraw/zinc/71/42/53/1054714253.db2.gz CDNTUMKRXBCTNR-UHFFFAOYSA-N 2 2 386.459 3.896 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]Cc3ccccc3N3CCCC3)C2)cc1 ZINC001321149529 1056121314 /nfs/dbraw/zinc/12/13/14/1056121314.db2.gz PTWGZLCZOOIYRM-HSZRJFAPSA-N 2 2 379.548 3.668 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]Cc3ccccc3N3CCCC3)C2)cc1 ZINC001321149529 1056121323 /nfs/dbraw/zinc/12/13/23/1056121323.db2.gz PTWGZLCZOOIYRM-HSZRJFAPSA-N 2 2 379.548 3.668 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC001200702429 1056767740 /nfs/dbraw/zinc/76/77/40/1056767740.db2.gz AHOBTRLHGBTBMM-FXAWDEMLSA-N 2 2 396.428 3.817 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC001200702429 1056767750 /nfs/dbraw/zinc/76/77/50/1056767750.db2.gz AHOBTRLHGBTBMM-FXAWDEMLSA-N 2 2 396.428 3.817 20 0 GHADLP C[NH2+]CCc1ccccc1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001326687413 1057535529 /nfs/dbraw/zinc/53/55/29/1057535529.db2.gz IKZQDYNUZUSXLB-UHFFFAOYSA-N 2 2 391.519 3.563 20 0 GHADLP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)cc1Cl ZINC001326857982 1057567722 /nfs/dbraw/zinc/56/77/22/1057567722.db2.gz HLQTUZVTVINOSL-HXUWFJFHSA-N 2 2 386.927 3.790 20 0 GHADLP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)cc1Cl ZINC001326857982 1057567727 /nfs/dbraw/zinc/56/77/27/1057567727.db2.gz HLQTUZVTVINOSL-HXUWFJFHSA-N 2 2 386.927 3.790 20 0 GHADLP Cc1cc(NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)[nH+]c2ccccc12 ZINC001338725730 1058750509 /nfs/dbraw/zinc/75/05/09/1058750509.db2.gz GACUPMWJCQEYMF-HXUWFJFHSA-N 2 2 388.515 3.853 20 0 GHADLP Cc1cc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)[nH+]c2ccccc12 ZINC001338725730 1058750524 /nfs/dbraw/zinc/75/05/24/1058750524.db2.gz GACUPMWJCQEYMF-HXUWFJFHSA-N 2 2 388.515 3.853 20 0 GHADLP O=C(c1c[nH+]ccc1Nc1ccccc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC001442473521 1058966700 /nfs/dbraw/zinc/96/67/00/1058966700.db2.gz MDLARWQVOSUKAT-UHFFFAOYSA-N 2 2 378.520 3.585 20 0 GHADLP C[NH+](C)CC(C)(C)C1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC001339444316 1059217487 /nfs/dbraw/zinc/21/74/87/1059217487.db2.gz UZHTXDQLEAASSK-HXUWFJFHSA-N 2 2 382.552 3.758 20 0 GHADLP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC001444848717 1059396853 /nfs/dbraw/zinc/39/68/53/1059396853.db2.gz OLGHHRRTRLVHEM-ROUUACIJSA-N 2 2 394.441 3.672 20 0 GHADLP CCNc1cc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC001346578675 1061699486 /nfs/dbraw/zinc/69/94/86/1061699486.db2.gz XKIHRMAQIRQOLY-WIYYLYMNSA-N 2 2 395.551 3.708 20 0 GHADLP CCNc1cc(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC001346578675 1061699508 /nfs/dbraw/zinc/69/95/08/1061699508.db2.gz XKIHRMAQIRQOLY-WIYYLYMNSA-N 2 2 395.551 3.708 20 0 GHADLP CCc1c[nH]c2nc[nH+]c(NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c12 ZINC001458169035 1063625211 /nfs/dbraw/zinc/62/52/11/1063625211.db2.gz PWHFRPWWCYEFHA-UHFFFAOYSA-N 2 2 398.942 3.750 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c2c1CCC2 ZINC001458870082 1063952115 /nfs/dbraw/zinc/95/21/15/1063952115.db2.gz AKVNANZJSGAUNS-ZEQRLZLVSA-N 2 2 397.607 3.893 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2c1CCC2 ZINC001458870082 1063952125 /nfs/dbraw/zinc/95/21/25/1063952125.db2.gz AKVNANZJSGAUNS-ZEQRLZLVSA-N 2 2 397.607 3.893 20 0 GHADLP COC(=O)c1ccc(OC)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC001460006313 1064340156 /nfs/dbraw/zinc/34/01/56/1064340156.db2.gz NUCJFAKNQSLEAS-JOCHJYFZSA-N 2 2 396.531 3.872 20 0 GHADLP COC(=O)c1ccc(OC)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC001460006313 1064340169 /nfs/dbraw/zinc/34/01/69/1064340169.db2.gz NUCJFAKNQSLEAS-JOCHJYFZSA-N 2 2 396.531 3.872 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC001357640521 1067210366 /nfs/dbraw/zinc/21/03/66/1067210366.db2.gz HAZWRGGTJJIFLH-TYCQWZJGSA-N 2 2 385.939 3.894 20 0 GHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC001357640521 1067210379 /nfs/dbraw/zinc/21/03/79/1067210379.db2.gz HAZWRGGTJJIFLH-TYCQWZJGSA-N 2 2 385.939 3.894 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)s1 ZINC001467865307 1067505995 /nfs/dbraw/zinc/50/59/95/1067505995.db2.gz QWCUAHZLYMRJJY-AZUAARDMSA-N 2 2 388.581 3.821 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)s1 ZINC001467865307 1067506003 /nfs/dbraw/zinc/50/60/03/1067506003.db2.gz QWCUAHZLYMRJJY-AZUAARDMSA-N 2 2 388.581 3.821 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC001470009421 1068519014 /nfs/dbraw/zinc/51/90/14/1068519014.db2.gz YRTQCOPETVYYLL-UHFFFAOYSA-N 2 2 388.364 3.821 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC001470009421 1068519029 /nfs/dbraw/zinc/51/90/29/1068519029.db2.gz YRTQCOPETVYYLL-UHFFFAOYSA-N 2 2 388.364 3.821 20 0 GHADLP C[N@H+](Cc1cccc(OC(C)(C)C)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001460558779 1068995314 /nfs/dbraw/zinc/99/53/14/1068995314.db2.gz MGFCZFYEGPCYKX-XMMPIXPASA-N 2 2 382.548 3.933 20 0 GHADLP C[N@@H+](Cc1cccc(OC(C)(C)C)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001460558779 1068995316 /nfs/dbraw/zinc/99/53/16/1068995316.db2.gz MGFCZFYEGPCYKX-XMMPIXPASA-N 2 2 382.548 3.933 20 0 GHADLP C[NH+](Cc1cccc(OC(C)(C)C)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001460558779 1068995319 /nfs/dbraw/zinc/99/53/19/1068995319.db2.gz MGFCZFYEGPCYKX-XMMPIXPASA-N 2 2 382.548 3.933 20 0 GHADLP C[NH+](Cc1cccc(OC(C)(C)C)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001460558779 1068995321 /nfs/dbraw/zinc/99/53/21/1068995321.db2.gz MGFCZFYEGPCYKX-XMMPIXPASA-N 2 2 382.548 3.933 20 0 GHADLP O[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC001460694705 1069092624 /nfs/dbraw/zinc/09/26/24/1069092624.db2.gz PIFYEJQEAHKPHO-RTBURBONSA-N 2 2 375.394 3.966 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CCC(c2c[nH+]cn2C)CC1)c1ccc(Cl)cc1Cl ZINC001460966840 1069302977 /nfs/dbraw/zinc/30/29/77/1069302977.db2.gz WAEKRHNAWXAFDH-ZDUSSCGKSA-N 2 2 395.334 3.784 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(C[N@H+](C)CCOc2ccccc2)cc1)n1cc[nH+]c1 ZINC001471881474 1073241733 /nfs/dbraw/zinc/24/17/33/1073241733.db2.gz MGJUCGACQYNLDG-IBGZPJMESA-N 2 2 392.503 3.984 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(C[N@@H+](C)CCOc2ccccc2)cc1)n1cc[nH+]c1 ZINC001471881474 1073241738 /nfs/dbraw/zinc/24/17/38/1073241738.db2.gz MGJUCGACQYNLDG-IBGZPJMESA-N 2 2 392.503 3.984 20 0 GHADLP Oc1cccc(C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC2CC2)c1 ZINC001473154325 1073812354 /nfs/dbraw/zinc/81/23/54/1073812354.db2.gz QLRXWGQTROXAGS-UHFFFAOYSA-N 2 2 379.548 3.817 20 0 GHADLP Oc1cccc(C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC2CC2)c1 ZINC001473154325 1073812372 /nfs/dbraw/zinc/81/23/72/1073812372.db2.gz QLRXWGQTROXAGS-UHFFFAOYSA-N 2 2 379.548 3.817 20 0 GHADLP CC[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC001479349661 1079186462 /nfs/dbraw/zinc/18/64/62/1079186462.db2.gz YZBYUOZPMGNYEM-HSZRJFAPSA-N 2 2 396.579 3.958 20 0 GHADLP CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC001479349661 1079186466 /nfs/dbraw/zinc/18/64/66/1079186466.db2.gz YZBYUOZPMGNYEM-HSZRJFAPSA-N 2 2 396.579 3.958 20 0 GHADLP CCOC1CC2(C1)CC[N@H+](CCC[NH+]1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC001473455182 1073972162 /nfs/dbraw/zinc/97/21/62/1073972162.db2.gz YMZBGBCTZQUXJN-UHFFFAOYSA-N 2 2 391.987 3.743 20 0 GHADLP CCOC1CC2(C1)CC[N@@H+](CCC[NH+]1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC001473455182 1073972166 /nfs/dbraw/zinc/97/21/66/1073972166.db2.gz YMZBGBCTZQUXJN-UHFFFAOYSA-N 2 2 391.987 3.743 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[NH+]3CCC(c4c[nH+]cn4C)CC3)c2)cs1 ZINC001473894055 1074193556 /nfs/dbraw/zinc/19/35/56/1074193556.db2.gz FBWWAQUSLMDJGW-UHFFFAOYSA-N 2 2 395.532 3.670 20 0 GHADLP Cn1c2ccccc2c(Br)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001473940519 1074212869 /nfs/dbraw/zinc/21/28/69/1074212869.db2.gz HBEQQFWGUIMGSN-UHFFFAOYSA-N 2 2 376.342 3.905 20 0 GHADLP COc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc2ccccc21 ZINC001474018327 1074237177 /nfs/dbraw/zinc/23/71/77/1074237177.db2.gz IAVLHNMJSRWTPW-DEOSSOPVSA-N 2 2 376.500 3.575 20 0 GHADLP COc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc2ccccc21 ZINC001474018327 1074237186 /nfs/dbraw/zinc/23/71/86/1074237186.db2.gz IAVLHNMJSRWTPW-DEOSSOPVSA-N 2 2 376.500 3.575 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001474020141 1074238478 /nfs/dbraw/zinc/23/84/78/1074238478.db2.gz KBWWRCHUFGDJHY-AZUAARDMSA-N 2 2 378.438 3.678 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001474020141 1074238482 /nfs/dbraw/zinc/23/84/82/1074238482.db2.gz KBWWRCHUFGDJHY-AZUAARDMSA-N 2 2 378.438 3.678 20 0 GHADLP CCC1(c2ccccc2)C[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001474573482 1074468187 /nfs/dbraw/zinc/46/81/87/1074468187.db2.gz VQYWYTAPHKSMCU-UHFFFAOYSA-N 2 2 380.532 3.561 20 0 GHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001474626207 1074489247 /nfs/dbraw/zinc/48/92/47/1074489247.db2.gz JNYOJTWFIDPDED-FQEVSTJZSA-N 2 2 387.568 3.745 20 0 GHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001474626208 1074489360 /nfs/dbraw/zinc/48/93/60/1074489360.db2.gz JNYOJTWFIDPDED-HXUWFJFHSA-N 2 2 387.568 3.745 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC001474682835 1074512606 /nfs/dbraw/zinc/51/26/06/1074512606.db2.gz RIBZUIDWXSKWBG-RLLQIKCJSA-N 2 2 384.524 3.860 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000824547715 608496803 /nfs/dbraw/zinc/49/68/03/608496803.db2.gz SFJMRSSDRLKUKP-QVKFZJNVSA-N 2 2 385.475 3.781 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc1 ZINC000826330780 609150217 /nfs/dbraw/zinc/15/02/17/609150217.db2.gz IEBPRLVIZQVNSF-KBPBESRZSA-N 2 2 391.454 3.912 20 0 GHADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164638487 719236688 /nfs/dbraw/zinc/23/66/88/719236688.db2.gz ZYAYURPHCKAWSL-HZPDHXFCSA-N 2 2 399.608 3.695 20 0 GHADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164638487 719236692 /nfs/dbraw/zinc/23/66/92/719236692.db2.gz ZYAYURPHCKAWSL-HZPDHXFCSA-N 2 2 399.608 3.695 20 0 GHADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](C)[N@@H+](C)C[C@@H]3C)c2c1C ZINC001164637612 719236851 /nfs/dbraw/zinc/23/68/51/719236851.db2.gz WPBPXIHQDBIQKP-GJZGRUSLSA-N 2 2 387.597 3.823 20 0 GHADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](C)[N@H+](C)C[C@@H]3C)c2c1C ZINC001164637612 719236852 /nfs/dbraw/zinc/23/68/52/719236852.db2.gz WPBPXIHQDBIQKP-GJZGRUSLSA-N 2 2 387.597 3.823 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CC[NH+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164812908 720204146 /nfs/dbraw/zinc/20/41/46/720204146.db2.gz NCLHQDKWQBFLBA-NQIIRXRSSA-N 2 2 377.960 3.650 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CC[NH+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164812908 720204148 /nfs/dbraw/zinc/20/41/48/720204148.db2.gz NCLHQDKWQBFLBA-NQIIRXRSSA-N 2 2 377.960 3.650 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@]12CC[N@@H+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164812908 720204152 /nfs/dbraw/zinc/20/41/52/720204152.db2.gz NCLHQDKWQBFLBA-NQIIRXRSSA-N 2 2 377.960 3.650 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@]12CC[N@H+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164812908 720204157 /nfs/dbraw/zinc/20/41/57/720204157.db2.gz NCLHQDKWQBFLBA-NQIIRXRSSA-N 2 2 377.960 3.650 20 0 GHADLP Cc1cccc2c(C)cc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)[nH+]c12 ZINC001164762556 721081853 /nfs/dbraw/zinc/08/18/53/721081853.db2.gz FEBOPRIVIXXUKN-WOJBJXKFSA-N 2 2 375.520 3.543 20 0 GHADLP Cc1cccc2c(C)cc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)[nH+]c12 ZINC001164762556 721081858 /nfs/dbraw/zinc/08/18/58/721081858.db2.gz FEBOPRIVIXXUKN-WOJBJXKFSA-N 2 2 375.520 3.543 20 0 GHADLP COc1cc(C)c[nH+]c1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938633 721929661 /nfs/dbraw/zinc/92/96/61/721929661.db2.gz CAKPNCYAQDVSHU-UHFFFAOYSA-N 2 2 381.520 3.578 20 0 GHADLP COc1cc(C)c[nH+]c1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938633 721929662 /nfs/dbraw/zinc/92/96/62/721929662.db2.gz CAKPNCYAQDVSHU-UHFFFAOYSA-N 2 2 381.520 3.578 20 0 GHADLP CC[C@H](C)Oc1ccccc1/C=C\C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000255068465 837544227 /nfs/dbraw/zinc/54/42/27/837544227.db2.gz OZDQVLUPYLFHAT-VJIACCKLSA-N 2 2 399.579 3.552 20 0 GHADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)nn1C ZINC000414389136 837591577 /nfs/dbraw/zinc/59/15/77/837591577.db2.gz FFUOHDLQMRPQQO-APWZRJJASA-N 2 2 380.458 3.920 20 0 GHADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)nn1C ZINC000414389136 837591583 /nfs/dbraw/zinc/59/15/83/837591583.db2.gz FFUOHDLQMRPQQO-APWZRJJASA-N 2 2 380.458 3.920 20 0 GHADLP CCN(CC)[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655684856 837669309 /nfs/dbraw/zinc/66/93/09/837669309.db2.gz ZOAMKNGDVDJYCI-GHTZIAJQSA-N 2 2 379.976 3.566 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000655704527 837691967 /nfs/dbraw/zinc/69/19/67/837691967.db2.gz FCPOYMHMDBSQMQ-UHFFFAOYSA-N 2 2 391.357 3.906 20 0 GHADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000655704378 837693227 /nfs/dbraw/zinc/69/32/27/837693227.db2.gz CEVJUIZFCAKAKO-UHFFFAOYSA-N 2 2 390.531 3.611 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)([NH+]2CCCCC2)CC1 ZINC000172750107 834642597 /nfs/dbraw/zinc/64/25/97/834642597.db2.gz BKYGPFKLMSMWNM-RBUKOAKNSA-N 2 2 389.971 3.510 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865793 834707558 /nfs/dbraw/zinc/70/75/58/834707558.db2.gz TXRAMWJHXDMISN-JOCHJYFZSA-N 2 2 391.471 3.718 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865793 834707565 /nfs/dbraw/zinc/70/75/65/834707565.db2.gz TXRAMWJHXDMISN-JOCHJYFZSA-N 2 2 391.471 3.718 20 0 GHADLP c1[nH+]c(-c2ccc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)n2c1CCCC2 ZINC000655749319 837802080 /nfs/dbraw/zinc/80/20/80/837802080.db2.gz AXIXNAFVMFPUBA-QFIPXVFZSA-N 2 2 380.536 3.942 20 0 GHADLP O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000145716134 834817528 /nfs/dbraw/zinc/81/75/28/834817528.db2.gz VRGQCTLIQYHCGI-UHFFFAOYSA-N 2 2 380.517 3.576 20 0 GHADLP Cc1ccc(S(=O)(=O)c2ccc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cc2)cc1 ZINC000583693679 834888014 /nfs/dbraw/zinc/88/80/14/834888014.db2.gz DFJSMHBJONLSLK-NRFANRHFSA-N 2 2 398.572 3.649 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000685412454 834988779 /nfs/dbraw/zinc/98/87/79/834988779.db2.gz VHWDBQCRDGPGOF-IAGOWNOFSA-N 2 2 391.606 3.577 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000685412454 834988784 /nfs/dbraw/zinc/98/87/84/834988784.db2.gz VHWDBQCRDGPGOF-IAGOWNOFSA-N 2 2 391.606 3.577 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000685412454 834988792 /nfs/dbraw/zinc/98/87/92/834988792.db2.gz VHWDBQCRDGPGOF-IAGOWNOFSA-N 2 2 391.606 3.577 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000685412454 834988801 /nfs/dbraw/zinc/98/88/01/834988801.db2.gz VHWDBQCRDGPGOF-IAGOWNOFSA-N 2 2 391.606 3.577 20 0 GHADLP Clc1cccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccccc2-n2cncn2)c1 ZINC000685462008 835028273 /nfs/dbraw/zinc/02/82/73/835028273.db2.gz MLMIAQWQSNEZNR-UHFFFAOYSA-N 2 2 392.894 3.820 20 0 GHADLP Clc1cccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccccc2-n2cncn2)c1 ZINC000685462008 835028281 /nfs/dbraw/zinc/02/82/81/835028281.db2.gz MLMIAQWQSNEZNR-UHFFFAOYSA-N 2 2 392.894 3.820 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCCn1cc[nH+]c1 ZINC000151145445 835048742 /nfs/dbraw/zinc/04/87/42/835048742.db2.gz RXLXGERJLPYFQJ-LBPRGKRZSA-N 2 2 388.821 3.952 20 0 GHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000683229910 835326372 /nfs/dbraw/zinc/32/63/72/835326372.db2.gz ZTZYWNJCJFPYGU-UPVQGACJSA-N 2 2 380.532 3.953 20 0 GHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000683229910 835326383 /nfs/dbraw/zinc/32/63/83/835326383.db2.gz ZTZYWNJCJFPYGU-UPVQGACJSA-N 2 2 380.532 3.953 20 0 GHADLP COc1cc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc(OC)c1OC ZINC000151327659 835378343 /nfs/dbraw/zinc/37/83/43/835378343.db2.gz NSGVGXCCJRDVJK-MRXNPFEDSA-N 2 2 381.476 3.808 20 0 GHADLP CCc1noc(C2CCC([NH2+][C@@H](Cc3[nH+]ccn3C)c3ccccc3)CC2)n1 ZINC000658196385 835504177 /nfs/dbraw/zinc/50/41/77/835504177.db2.gz RYHPTOOJOUNHLH-ACBHZAAOSA-N 2 2 379.508 3.965 20 0 GHADLP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(N2CCCC2)n1 ZINC000119663088 835537791 /nfs/dbraw/zinc/53/77/91/835537791.db2.gz XCRUNEOGHBELEP-UHFFFAOYSA-N 2 2 378.564 3.787 20 0 GHADLP CC1CC[NH+](CCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000429955288 844079292 /nfs/dbraw/zinc/07/92/92/844079292.db2.gz ZKBNPUZGMHPFBW-UHFFFAOYSA-N 2 2 381.524 3.740 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000247786087 835868327 /nfs/dbraw/zinc/86/83/27/835868327.db2.gz YKAGEWMMSBLYDN-KNKQGSTJSA-N 2 2 395.551 3.701 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151832814 835896290 /nfs/dbraw/zinc/89/62/90/835896290.db2.gz BSNNXELVJLPDGD-GHTZIAJQSA-N 2 2 383.540 3.518 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccc(Cl)cc1 ZINC000081632010 835967287 /nfs/dbraw/zinc/96/72/87/835967287.db2.gz RKZJBHBNSRAFKA-XYJFISCASA-N 2 2 377.960 3.569 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccc(Cl)cc1 ZINC000081632010 835967294 /nfs/dbraw/zinc/96/72/94/835967294.db2.gz RKZJBHBNSRAFKA-XYJFISCASA-N 2 2 377.960 3.569 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccc(Cl)cc1 ZINC000081632010 835967300 /nfs/dbraw/zinc/96/73/00/835967300.db2.gz RKZJBHBNSRAFKA-XYJFISCASA-N 2 2 377.960 3.569 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccc(Cl)cc1 ZINC000081632010 835967306 /nfs/dbraw/zinc/96/73/06/835967306.db2.gz RKZJBHBNSRAFKA-XYJFISCASA-N 2 2 377.960 3.569 20 0 GHADLP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000413778055 836322594 /nfs/dbraw/zinc/32/25/94/836322594.db2.gz BSGPPRHXUOGXKC-QFIPXVFZSA-N 2 2 381.495 3.598 20 0 GHADLP O=C([C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000613422495 836364856 /nfs/dbraw/zinc/36/48/56/836364856.db2.gz BPPQQFBMSAYMIG-QHCPKHFHSA-N 2 2 394.563 3.782 20 0 GHADLP Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000332690195 836465153 /nfs/dbraw/zinc/46/51/53/836465153.db2.gz REVBRILJPHWRCJ-TZIWHRDSSA-N 2 2 394.563 3.893 20 0 GHADLP Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000332690195 836465163 /nfs/dbraw/zinc/46/51/63/836465163.db2.gz REVBRILJPHWRCJ-TZIWHRDSSA-N 2 2 394.563 3.893 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000511379685 836786455 /nfs/dbraw/zinc/78/64/55/836786455.db2.gz PPSBEUKWWFSRFS-JRGCBEDISA-N 2 2 379.976 3.566 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000511379685 836786462 /nfs/dbraw/zinc/78/64/62/836786462.db2.gz PPSBEUKWWFSRFS-JRGCBEDISA-N 2 2 379.976 3.566 20 0 GHADLP C[C@@H]1CCCC[NH+]1CCCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000511379685 836786467 /nfs/dbraw/zinc/78/64/67/836786467.db2.gz PPSBEUKWWFSRFS-JRGCBEDISA-N 2 2 379.976 3.566 20 0 GHADLP C[C@@H]1CCCC[NH+]1CCCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000511379685 836786477 /nfs/dbraw/zinc/78/64/77/836786477.db2.gz PPSBEUKWWFSRFS-JRGCBEDISA-N 2 2 379.976 3.566 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1C)CCC2 ZINC000570390987 836803263 /nfs/dbraw/zinc/80/32/63/836803263.db2.gz RFVIYLSUVVIBGX-AZUAARDMSA-N 2 2 385.552 3.704 20 0 GHADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000431687267 836810523 /nfs/dbraw/zinc/81/05/23/836810523.db2.gz WXYSTJGTGFYDIH-CTNGQTDRSA-N 2 2 383.540 3.572 20 0 GHADLP C[C@H]1C[C@H](C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCO1 ZINC000510933527 844213891 /nfs/dbraw/zinc/21/38/91/844213891.db2.gz DMRKWOISRYDHHG-LSDHHAIUSA-N 2 2 382.302 3.556 20 0 GHADLP C[C@H]1C[C@H](C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCO1 ZINC000510933527 844213894 /nfs/dbraw/zinc/21/38/94/844213894.db2.gz DMRKWOISRYDHHG-LSDHHAIUSA-N 2 2 382.302 3.556 20 0 GHADLP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000119875449 836962364 /nfs/dbraw/zinc/96/23/64/836962364.db2.gz QDMNDWMEEWZHDA-QZTJIDSGSA-N 2 2 383.517 3.694 20 0 GHADLP C[C@H]1[C@H](c2ccccc2)CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000175822820 837028424 /nfs/dbraw/zinc/02/84/24/837028424.db2.gz HUAROLIBVSZVKD-RBBKRZOGSA-N 2 2 398.595 3.524 20 0 GHADLP COCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655772835 837845482 /nfs/dbraw/zinc/84/54/82/837845482.db2.gz SSHWIRRJCIECBD-MOPGFXCFSA-N 2 2 386.458 3.626 20 0 GHADLP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000659865928 837965221 /nfs/dbraw/zinc/96/52/21/837965221.db2.gz RLCCSNFDEBCHEI-OALUTQOASA-N 2 2 380.527 3.597 20 0 GHADLP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000659865928 837965233 /nfs/dbraw/zinc/96/52/33/837965233.db2.gz RLCCSNFDEBCHEI-OALUTQOASA-N 2 2 380.527 3.597 20 0 GHADLP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)c1 ZINC000415909108 838254786 /nfs/dbraw/zinc/25/47/86/838254786.db2.gz RRFFSDXVBWHYCV-GOSISDBHSA-N 2 2 396.535 3.715 20 0 GHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccccc2C[NH2+]C)[C@H](C)C1 ZINC000415905483 838260213 /nfs/dbraw/zinc/26/02/13/838260213.db2.gz UUNSZAUPBLBDEU-GOSISDBHSA-N 2 2 396.535 3.543 20 0 GHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccccc2C[NH2+]C)[C@H](C)C1 ZINC000415905483 838260219 /nfs/dbraw/zinc/26/02/19/838260219.db2.gz UUNSZAUPBLBDEU-GOSISDBHSA-N 2 2 396.535 3.543 20 0 GHADLP [NH3+][C@@H](CCC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000168591174 838546569 /nfs/dbraw/zinc/54/65/69/838546569.db2.gz LBEXPZXOOYFBKE-UTKZUKDTSA-N 2 2 387.474 3.526 20 0 GHADLP [NH3+][C@@H](CCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000168591174 838546572 /nfs/dbraw/zinc/54/65/72/838546572.db2.gz LBEXPZXOOYFBKE-UTKZUKDTSA-N 2 2 387.474 3.526 20 0 GHADLP CC[NH+](CC)CCCC1CC[NH+](Cn2nc(N(C)C)n(C(C)C)c2=S)CC1 ZINC000181456125 838809084 /nfs/dbraw/zinc/80/90/84/838809084.db2.gz MOOZBLWGKZTRRZ-UHFFFAOYSA-N 2 2 396.649 3.852 20 0 GHADLP COc1c(C)[nH+]c(C2CC2)nc1NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000656126087 838951190 /nfs/dbraw/zinc/95/11/90/838951190.db2.gz HEKOZHBIIGLMSV-MRXNPFEDSA-N 2 2 396.535 3.983 20 0 GHADLP Cn1ncc(NC(=O)OC(C)(C)C)c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000892749337 838971658 /nfs/dbraw/zinc/97/16/58/838971658.db2.gz AXVQREBLCPJZDF-UHFFFAOYSA-N 2 2 391.560 3.511 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000683900180 839362173 /nfs/dbraw/zinc/36/21/73/839362173.db2.gz MKPFKHUDUWOESK-FQEVSTJZSA-N 2 2 379.508 3.588 20 0 GHADLP CCc1cccc(CC)c1NC(=S)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050254784 839656675 /nfs/dbraw/zinc/65/66/75/839656675.db2.gz DSCWUMZQOJYMSX-UHFFFAOYSA-N 2 2 388.625 3.656 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+]C[C@H]2C[C@@]2(C)Br)CCOCC1)c1ccccc1 ZINC000892983438 839806847 /nfs/dbraw/zinc/80/68/47/839806847.db2.gz TXUVNUUKQLZFJU-CGTJXYLNSA-N 2 2 381.358 3.650 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@H](c3ccco3)[NH+](C)C)CC2)cc1 ZINC000549853962 844480440 /nfs/dbraw/zinc/48/04/40/844480440.db2.gz CDLLLVUGDXHAOT-OAQYLSRUSA-N 2 2 398.551 3.533 20 0 GHADLP CCN(CCOC)c1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC001167426756 839929940 /nfs/dbraw/zinc/92/99/40/839929940.db2.gz YPGRYVZFJUNWIZ-LEWJYISDSA-N 2 2 388.600 3.641 20 0 GHADLP CCN(CCOC)c1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC001167426756 839929945 /nfs/dbraw/zinc/92/99/45/839929945.db2.gz YPGRYVZFJUNWIZ-LEWJYISDSA-N 2 2 388.600 3.641 20 0 GHADLP CCN(CCOC)c1cccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC001167426756 839929952 /nfs/dbraw/zinc/92/99/52/839929952.db2.gz YPGRYVZFJUNWIZ-LEWJYISDSA-N 2 2 388.600 3.641 20 0 GHADLP CCN(CCOC)c1cccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC001167426756 839929956 /nfs/dbraw/zinc/92/99/56/839929956.db2.gz YPGRYVZFJUNWIZ-LEWJYISDSA-N 2 2 388.600 3.641 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(C)s1 ZINC000580640914 839946664 /nfs/dbraw/zinc/94/66/64/839946664.db2.gz GWWZGKBPKCHEFG-ICSRJNTNSA-N 2 2 384.545 3.797 20 0 GHADLP COC(=O)c1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(C)s1 ZINC000580640914 839946670 /nfs/dbraw/zinc/94/66/70/839946670.db2.gz GWWZGKBPKCHEFG-ICSRJNTNSA-N 2 2 384.545 3.797 20 0 GHADLP COC(=O)c1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)s1 ZINC000580640914 839946676 /nfs/dbraw/zinc/94/66/76/839946676.db2.gz GWWZGKBPKCHEFG-ICSRJNTNSA-N 2 2 384.545 3.797 20 0 GHADLP COC(=O)c1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)s1 ZINC000580640914 839946681 /nfs/dbraw/zinc/94/66/81/839946681.db2.gz GWWZGKBPKCHEFG-ICSRJNTNSA-N 2 2 384.545 3.797 20 0 GHADLP CC[C@@H](C)Oc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1OC ZINC000656280636 840067581 /nfs/dbraw/zinc/06/75/81/840067581.db2.gz CDUZECLMVRWBLT-QUCCMNQESA-N 2 2 376.541 3.559 20 0 GHADLP CC[C@@H](C)Oc1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1OC ZINC000656280636 840067588 /nfs/dbraw/zinc/06/75/88/840067588.db2.gz CDUZECLMVRWBLT-QUCCMNQESA-N 2 2 376.541 3.559 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccsc1 ZINC000431904397 840186689 /nfs/dbraw/zinc/18/66/89/840186689.db2.gz XXBSYWSBJXMEFW-NRFANRHFSA-N 2 2 396.560 3.735 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C)c2Br)[C@H](C)C1 ZINC000468789752 840538390 /nfs/dbraw/zinc/53/83/90/840538390.db2.gz CRKLPMQQAKYNGK-AEFFLSMTSA-N 2 2 383.374 3.984 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C)c2Br)[C@H](C)C1 ZINC000468789752 840538398 /nfs/dbraw/zinc/53/83/98/840538398.db2.gz CRKLPMQQAKYNGK-AEFFLSMTSA-N 2 2 383.374 3.984 20 0 GHADLP CC[NH2+]CC1CC[NH+]([C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)CC1 ZINC000430573639 841191624 /nfs/dbraw/zinc/19/16/24/841191624.db2.gz MJKOUHJRKJNNAF-KGLIPLIRSA-N 2 2 388.581 3.904 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)C2)s1 ZINC000581396611 841237636 /nfs/dbraw/zinc/23/76/36/841237636.db2.gz LJOHYKQNKRUYPH-VELGLUOQSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)C2)s1 ZINC000581396611 841237648 /nfs/dbraw/zinc/23/76/48/841237648.db2.gz LJOHYKQNKRUYPH-VELGLUOQSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)C2)s1 ZINC000581396611 841237657 /nfs/dbraw/zinc/23/76/57/841237657.db2.gz LJOHYKQNKRUYPH-VELGLUOQSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)C2)s1 ZINC000581396611 841237666 /nfs/dbraw/zinc/23/76/66/841237666.db2.gz LJOHYKQNKRUYPH-VELGLUOQSA-N 2 2 391.625 3.894 20 0 GHADLP COCC[NH2+]C1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000581492743 841533131 /nfs/dbraw/zinc/53/31/31/841533131.db2.gz QZURYAGORQJLNZ-VMPITWQZSA-N 2 2 380.532 3.979 20 0 GHADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCn2c(COc3cccnc3)cnc2[C@H]1C ZINC001167828531 842113847 /nfs/dbraw/zinc/11/38/47/842113847.db2.gz ZFSIDDIRBKQIFX-RBUKOAKNSA-N 2 2 385.556 3.744 20 0 GHADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCn2c(COc3cccnc3)cnc2[C@H]1C ZINC001167828531 842113850 /nfs/dbraw/zinc/11/38/50/842113850.db2.gz ZFSIDDIRBKQIFX-RBUKOAKNSA-N 2 2 385.556 3.744 20 0 GHADLP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000625239097 861285176 /nfs/dbraw/zinc/28/51/76/861285176.db2.gz BJACWMTYLMCVJE-BHIFYINESA-N 2 2 380.536 3.595 20 0 GHADLP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000625239097 861285190 /nfs/dbraw/zinc/28/51/90/861285190.db2.gz BJACWMTYLMCVJE-BHIFYINESA-N 2 2 380.536 3.595 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](CN2CCc3ccccc3C2)C(C)(C)C)s1 ZINC000512068882 842391304 /nfs/dbraw/zinc/39/13/04/842391304.db2.gz UOYQBGVXTIRCJE-FQEVSTJZSA-N 2 2 386.609 3.767 20 0 GHADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000548296011 842458557 /nfs/dbraw/zinc/45/85/57/842458557.db2.gz SNXICDBMIUSWLP-GOSISDBHSA-N 2 2 379.508 3.615 20 0 GHADLP CCN1CC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511943373 842508428 /nfs/dbraw/zinc/50/84/28/842508428.db2.gz NMWKSYJKOOSEDP-MJGOQNOKSA-N 2 2 396.963 3.922 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000471791140 842538845 /nfs/dbraw/zinc/53/88/45/842538845.db2.gz IEFHTKFMMGGMJV-GMAHTHKFSA-N 2 2 388.515 3.685 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245590624 842610720 /nfs/dbraw/zinc/61/07/20/842610720.db2.gz LBSWMMNITQVJCC-WOJBJXKFSA-N 2 2 395.950 3.851 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245590624 842610728 /nfs/dbraw/zinc/61/07/28/842610728.db2.gz LBSWMMNITQVJCC-WOJBJXKFSA-N 2 2 395.950 3.851 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(F)ccc1F ZINC000471846937 842827197 /nfs/dbraw/zinc/82/71/97/842827197.db2.gz RZCOHPLHRKDQIW-UTKZUKDTSA-N 2 2 387.474 3.575 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(F)ccc1F ZINC000471846937 842827201 /nfs/dbraw/zinc/82/72/01/842827201.db2.gz RZCOHPLHRKDQIW-UTKZUKDTSA-N 2 2 387.474 3.575 20 0 GHADLP Cc1cc(Br)c(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000662272401 843043266 /nfs/dbraw/zinc/04/32/66/843043266.db2.gz FUWVLEQZIOSDOI-AWEZNQCLSA-N 2 2 387.749 3.598 20 0 GHADLP Cc1cc(Br)c(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000662272401 843043279 /nfs/dbraw/zinc/04/32/79/843043279.db2.gz FUWVLEQZIOSDOI-AWEZNQCLSA-N 2 2 387.749 3.598 20 0 GHADLP C[NH2+][C@@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1cccc(Cl)c1Cl ZINC000662378882 843178006 /nfs/dbraw/zinc/17/80/06/843178006.db2.gz JZDAHOZWNYIHBF-GDBMZVCRSA-N 2 2 386.348 3.735 20 0 GHADLP CCC[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CC[NH2+]CC1 ZINC000431066883 843535899 /nfs/dbraw/zinc/53/58/99/843535899.db2.gz OONHBHQDSBLNOI-UHFFFAOYSA-N 2 2 377.838 3.761 20 0 GHADLP CCC[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CC[NH2+]CC1 ZINC000431066883 843535909 /nfs/dbraw/zinc/53/59/09/843535909.db2.gz OONHBHQDSBLNOI-UHFFFAOYSA-N 2 2 377.838 3.761 20 0 GHADLP CCC1([NH+](C)C)CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000636959024 843662325 /nfs/dbraw/zinc/66/23/25/843662325.db2.gz HNWKBFITYZUONK-OAQYLSRUSA-N 2 2 397.567 3.757 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)[C@H](C)C1 ZINC000663470423 843680213 /nfs/dbraw/zinc/68/02/13/843680213.db2.gz IBYZCJPLWRKTIR-HLAWJBBLSA-N 2 2 382.552 3.586 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)[C@H](C)C1 ZINC000663470423 843680217 /nfs/dbraw/zinc/68/02/17/843680217.db2.gz IBYZCJPLWRKTIR-HLAWJBBLSA-N 2 2 382.552 3.586 20 0 GHADLP COc1cccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000510917212 843826730 /nfs/dbraw/zinc/82/67/30/843826730.db2.gz ADJBLYMDGJXQAO-UHFFFAOYSA-N 2 2 390.281 3.950 20 0 GHADLP COc1cccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000510917212 843826741 /nfs/dbraw/zinc/82/67/41/843826741.db2.gz ADJBLYMDGJXQAO-UHFFFAOYSA-N 2 2 390.281 3.950 20 0 GHADLP C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000500727268 843894042 /nfs/dbraw/zinc/89/40/42/843894042.db2.gz AZVBYEFOZYUBCE-PZJWPPBQSA-N 2 2 398.595 3.523 20 0 GHADLP C[C@@](CO)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Br)cc1 ZINC000512869385 843908666 /nfs/dbraw/zinc/90/86/66/843908666.db2.gz RCKYQVFTCFQPDY-KRWDZBQOSA-N 2 2 392.322 3.694 20 0 GHADLP CCOC(=O)c1csc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000432935587 844676164 /nfs/dbraw/zinc/67/61/64/844676164.db2.gz BUUSXJAEVCFUQM-UHFFFAOYSA-N 2 2 387.549 3.664 20 0 GHADLP CCOC(=O)c1csc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000432935587 844676171 /nfs/dbraw/zinc/67/61/71/844676171.db2.gz BUUSXJAEVCFUQM-UHFFFAOYSA-N 2 2 387.549 3.664 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000535822935 844699758 /nfs/dbraw/zinc/69/97/58/844699758.db2.gz GQZXWWANWRLDKO-FXAWDEMLSA-N 2 2 378.451 3.729 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000535822935 844699764 /nfs/dbraw/zinc/69/97/64/844699764.db2.gz GQZXWWANWRLDKO-FXAWDEMLSA-N 2 2 378.451 3.729 20 0 GHADLP Cc1ccc(C)c(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535851836 844793444 /nfs/dbraw/zinc/79/34/44/844793444.db2.gz SDNRKABWDQLJAB-DHIUTWEWSA-N 2 2 385.596 3.642 20 0 GHADLP Cc1ccc(C)c(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535851836 844793451 /nfs/dbraw/zinc/79/34/51/844793451.db2.gz SDNRKABWDQLJAB-DHIUTWEWSA-N 2 2 385.596 3.642 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](Nc4ccc(N5CCOCC5)c[nH+]4)[C@H]3C2)cc1 ZINC000512626507 844805553 /nfs/dbraw/zinc/80/55/53/844805553.db2.gz UVDGDAJKXFYMSL-PMVMPFDFSA-N 2 2 392.547 3.631 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](Nc4ccc(N5CCOCC5)c[nH+]4)[C@H]3C2)cc1 ZINC000512626507 844805562 /nfs/dbraw/zinc/80/55/62/844805562.db2.gz UVDGDAJKXFYMSL-PMVMPFDFSA-N 2 2 392.547 3.631 20 0 GHADLP C[NH+](C)CCOc1ccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1F ZINC000458288475 844812662 /nfs/dbraw/zinc/81/26/62/844812662.db2.gz LSEGEEMOKBBVQX-LJQANCHMSA-N 2 2 393.890 3.661 20 0 GHADLP c1c(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]c2n1CCCC2 ZINC000512662617 844916486 /nfs/dbraw/zinc/91/64/86/844916486.db2.gz ZBJQOTPZLGOWEW-ACIOBRDBSA-N 3 2 378.564 3.652 20 0 GHADLP c1c(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]c2n1CCCC2 ZINC000512662617 844916491 /nfs/dbraw/zinc/91/64/91/844916491.db2.gz ZBJQOTPZLGOWEW-ACIOBRDBSA-N 3 2 378.564 3.652 20 0 GHADLP CCCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1ccccc1Cl ZINC000513295468 845196506 /nfs/dbraw/zinc/19/65/06/845196506.db2.gz HEIXGRZATZMVTL-UHFFFAOYSA-N 2 2 387.959 3.684 20 0 GHADLP CCCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1ccccc1Cl ZINC000513295468 845196510 /nfs/dbraw/zinc/19/65/10/845196510.db2.gz HEIXGRZATZMVTL-UHFFFAOYSA-N 2 2 387.959 3.684 20 0 GHADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C(F)(F)F)ccc3Cl)C2)CC1 ZINC000093132803 845214011 /nfs/dbraw/zinc/21/40/11/845214011.db2.gz WUQFRVBNTWPYAN-INIZCTEOSA-N 2 2 375.866 3.571 20 0 GHADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C(F)(F)F)ccc3Cl)C2)CC1 ZINC000093132803 845214020 /nfs/dbraw/zinc/21/40/20/845214020.db2.gz WUQFRVBNTWPYAN-INIZCTEOSA-N 2 2 375.866 3.571 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000535908167 845214651 /nfs/dbraw/zinc/21/46/51/845214651.db2.gz CJSRRUHAPLLTOG-SFHVURJKSA-N 2 2 381.520 3.888 20 0 GHADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000673741318 861555062 /nfs/dbraw/zinc/55/50/62/861555062.db2.gz VNBCXALVGGQBNM-PBHICJAKSA-N 2 2 398.378 3.724 20 0 GHADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000673741318 861555066 /nfs/dbraw/zinc/55/50/66/861555066.db2.gz VNBCXALVGGQBNM-PBHICJAKSA-N 2 2 398.378 3.724 20 0 GHADLP Brc1ccc(C[N@H+](CCOCC2CCC2)CCn2cc[nH+]c2)o1 ZINC000419266082 845600547 /nfs/dbraw/zinc/60/05/47/845600547.db2.gz FQQRHGUTXVJSBN-UHFFFAOYSA-N 2 2 382.302 3.558 20 0 GHADLP Brc1ccc(C[N@@H+](CCOCC2CCC2)CCn2cc[nH+]c2)o1 ZINC000419266082 845600555 /nfs/dbraw/zinc/60/05/55/845600555.db2.gz FQQRHGUTXVJSBN-UHFFFAOYSA-N 2 2 382.302 3.558 20 0 GHADLP CN(C)c1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1F ZINC000237125928 845714449 /nfs/dbraw/zinc/71/44/49/845714449.db2.gz PCLFCZODNQZUGR-UHFFFAOYSA-N 2 2 390.934 3.587 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(Nc3ccnc(CSc4ccccc4)n3)CC2)CC1 ZINC000892153778 846085888 /nfs/dbraw/zinc/08/58/88/846085888.db2.gz QCWURGNQFZMKIO-UHFFFAOYSA-N 2 2 397.592 3.739 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CCCCN1C(=O)c3ccccc3C1=O)CCC2 ZINC000472141195 846123387 /nfs/dbraw/zinc/12/33/87/846123387.db2.gz ZPAKLECZDWOXED-AEFFLSMTSA-N 2 2 394.519 3.514 20 0 GHADLP Fc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1OC(F)F ZINC000657315577 846127742 /nfs/dbraw/zinc/12/77/42/846127742.db2.gz XLZRMUAJECYUMX-UHFFFAOYSA-N 2 2 380.410 3.549 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000421380418 846190817 /nfs/dbraw/zinc/19/08/17/846190817.db2.gz JMZGBROJGWYFSQ-HOTGVXAUSA-N 2 2 393.597 3.709 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000421380418 846190823 /nfs/dbraw/zinc/19/08/23/846190823.db2.gz JMZGBROJGWYFSQ-HOTGVXAUSA-N 2 2 393.597 3.709 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000421380418 846190828 /nfs/dbraw/zinc/19/08/28/846190828.db2.gz JMZGBROJGWYFSQ-HOTGVXAUSA-N 2 2 393.597 3.709 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000421380418 846190832 /nfs/dbraw/zinc/19/08/32/846190832.db2.gz JMZGBROJGWYFSQ-HOTGVXAUSA-N 2 2 393.597 3.709 20 0 GHADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccccc1I ZINC000502866750 846572552 /nfs/dbraw/zinc/57/25/52/846572552.db2.gz GGPTXBWIYPMNJO-WMLDXEAASA-N 2 2 384.305 3.912 20 0 GHADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccccc1I ZINC000502866750 846572556 /nfs/dbraw/zinc/57/25/56/846572556.db2.gz GGPTXBWIYPMNJO-WMLDXEAASA-N 2 2 384.305 3.912 20 0 GHADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000502866750 846572561 /nfs/dbraw/zinc/57/25/61/846572561.db2.gz GGPTXBWIYPMNJO-WMLDXEAASA-N 2 2 384.305 3.912 20 0 GHADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000502866750 846572568 /nfs/dbraw/zinc/57/25/68/846572568.db2.gz GGPTXBWIYPMNJO-WMLDXEAASA-N 2 2 384.305 3.912 20 0 GHADLP COC1([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)CCCCC1 ZINC000421860510 846626629 /nfs/dbraw/zinc/62/66/29/846626629.db2.gz UEPWTMGUWSMWBH-SFHVURJKSA-N 2 2 387.568 3.937 20 0 GHADLP CN(C(=O)[C@@H]1CCCCC1(C)C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000582220858 846656390 /nfs/dbraw/zinc/65/63/90/846656390.db2.gz FWJNKOCJZVRNMC-PWRODBHTSA-N 2 2 377.617 3.998 20 0 GHADLP CN(C(=O)[C@@H]1CCCCC1(C)C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000582220858 846656405 /nfs/dbraw/zinc/65/64/05/846656405.db2.gz FWJNKOCJZVRNMC-PWRODBHTSA-N 2 2 377.617 3.998 20 0 GHADLP c1ccc([C@@H]2C[C@@H]2CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)cc1 ZINC000503012707 846728272 /nfs/dbraw/zinc/72/82/72/846728272.db2.gz DIROIWASTOTXAK-QUCCMNQESA-N 2 2 376.504 3.653 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1OCCc2sccc21 ZINC000429130078 861713818 /nfs/dbraw/zinc/71/38/18/861713818.db2.gz BYDBCOZBNQTVGK-KPLVRAHFSA-N 2 2 386.561 3.631 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1OCCc2sccc21 ZINC000429130078 861713826 /nfs/dbraw/zinc/71/38/26/861713826.db2.gz BYDBCOZBNQTVGK-KPLVRAHFSA-N 2 2 386.561 3.631 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)Cc3ccccc3Cl)CC2)CC1 ZINC000422014059 846753623 /nfs/dbraw/zinc/75/36/23/846753623.db2.gz FSYQSWAFJQUOMI-GOSISDBHSA-N 2 2 391.987 3.537 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)Cc3ccccc3Cl)CC2)CC1 ZINC000422014059 846753627 /nfs/dbraw/zinc/75/36/27/846753627.db2.gz FSYQSWAFJQUOMI-GOSISDBHSA-N 2 2 391.987 3.537 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@H]3C[C@H](C)c4c3cccc4C)CC2)CC1 ZINC000422027833 846759017 /nfs/dbraw/zinc/75/90/17/846759017.db2.gz XCDAMJYFHOBYSH-SFTDATJTSA-N 2 2 397.607 3.995 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@H]3C[C@H](C)c4c3cccc4C)CC2)CC1 ZINC000422027833 846759023 /nfs/dbraw/zinc/75/90/23/846759023.db2.gz XCDAMJYFHOBYSH-SFTDATJTSA-N 2 2 397.607 3.995 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(I)cc2Cl)[C@@H](C)C1 ZINC000501444148 846931233 /nfs/dbraw/zinc/93/12/33/846931233.db2.gz AFMOBZJAOWGJIQ-XHDPSFHLSA-N 2 2 392.712 3.765 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(I)cc2Cl)[C@@H](C)C1 ZINC000501444148 846931243 /nfs/dbraw/zinc/93/12/43/846931243.db2.gz AFMOBZJAOWGJIQ-XHDPSFHLSA-N 2 2 392.712 3.765 20 0 GHADLP COc1ccc(OC)c([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000272267876 847033409 /nfs/dbraw/zinc/03/34/09/847033409.db2.gz MRTNLCSRUHKFIY-INIZCTEOSA-N 2 2 384.524 3.802 20 0 GHADLP c1ccc(C2CCC(C[NH+]3CCC(c4nnc5n4CC[NH2+]C5)CC3)CC2)cc1 ZINC000420351113 847133821 /nfs/dbraw/zinc/13/38/21/847133821.db2.gz JDIPEACRONBSND-UHFFFAOYSA-N 2 2 379.552 3.535 20 0 GHADLP [NH3+]C[C@H]([NH2+]CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C1CCCCC1 ZINC000420366878 847142118 /nfs/dbraw/zinc/14/21/18/847142118.db2.gz UYXBDRLZGUFWOB-RXVVDRJESA-N 2 2 389.540 3.590 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000420407398 847171548 /nfs/dbraw/zinc/17/15/48/847171548.db2.gz VEJFHOWUKVPFMU-DEYYWGMASA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000420407398 847171553 /nfs/dbraw/zinc/17/15/53/847171553.db2.gz VEJFHOWUKVPFMU-DEYYWGMASA-N 2 2 384.351 3.635 20 0 GHADLP c1ccc2c(c1)CO[C@@]21CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420923431 847544067 /nfs/dbraw/zinc/54/40/67/847544067.db2.gz QECTVYSOQSKNLX-XMMPIXPASA-N 2 2 378.516 3.540 20 0 GHADLP c1ccc2c(c1)CO[C@@]21CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420923431 847544078 /nfs/dbraw/zinc/54/40/78/847544078.db2.gz QECTVYSOQSKNLX-XMMPIXPASA-N 2 2 378.516 3.540 20 0 GHADLP c1ccc(COC[C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC000420917387 847563250 /nfs/dbraw/zinc/56/32/50/847563250.db2.gz RGUOQOJTPQFKIM-DEOSSOPVSA-N 2 2 380.532 3.558 20 0 GHADLP c1ccc(COC[C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC000420917387 847563255 /nfs/dbraw/zinc/56/32/55/847563255.db2.gz RGUOQOJTPQFKIM-DEOSSOPVSA-N 2 2 380.532 3.558 20 0 GHADLP CN1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@H]1c1ccc(Cl)cc1 ZINC000420957970 847578545 /nfs/dbraw/zinc/57/85/45/847578545.db2.gz DHPROMJUSLKOBN-DHIUTWEWSA-N 2 2 399.966 3.707 20 0 GHADLP COc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420963763 847583755 /nfs/dbraw/zinc/58/37/55/847583755.db2.gz MQNFHNGEJRNARO-JOCHJYFZSA-N 2 2 396.531 3.571 20 0 GHADLP COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420963763 847583764 /nfs/dbraw/zinc/58/37/64/847583764.db2.gz MQNFHNGEJRNARO-JOCHJYFZSA-N 2 2 396.531 3.571 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)CC1 ZINC000421016315 847639430 /nfs/dbraw/zinc/63/94/30/847639430.db2.gz UQOIGCZPJZMABF-LJQANCHMSA-N 2 2 397.567 3.598 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)CC1 ZINC000421016315 847639432 /nfs/dbraw/zinc/63/94/32/847639432.db2.gz UQOIGCZPJZMABF-LJQANCHMSA-N 2 2 397.567 3.598 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN([C@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)CC1 ZINC000421016315 847639435 /nfs/dbraw/zinc/63/94/35/847639435.db2.gz UQOIGCZPJZMABF-LJQANCHMSA-N 2 2 397.567 3.598 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN([C@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)CC1 ZINC000421016315 847639442 /nfs/dbraw/zinc/63/94/42/847639442.db2.gz UQOIGCZPJZMABF-LJQANCHMSA-N 2 2 397.567 3.598 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503375721 847650536 /nfs/dbraw/zinc/65/05/36/847650536.db2.gz MCQVZEKKBUVYGZ-TZIWHRDSSA-N 2 2 394.563 3.754 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503375721 847650543 /nfs/dbraw/zinc/65/05/43/847650543.db2.gz MCQVZEKKBUVYGZ-TZIWHRDSSA-N 2 2 394.563 3.754 20 0 GHADLP Brc1ccc(-n2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000179853042 861816684 /nfs/dbraw/zinc/81/66/84/861816684.db2.gz WHMITXOLVUSEPO-MRXNPFEDSA-N 2 2 389.341 3.553 20 0 GHADLP Brc1ccc(-n2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000179853042 861816700 /nfs/dbraw/zinc/81/67/00/861816700.db2.gz WHMITXOLVUSEPO-MRXNPFEDSA-N 2 2 389.341 3.553 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1)C(C)C ZINC000119944685 847702874 /nfs/dbraw/zinc/70/28/74/847702874.db2.gz YTXLYRJPTMJXFB-FQEVSTJZSA-N 2 2 382.552 3.745 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1)C(C)C ZINC000119944685 847702880 /nfs/dbraw/zinc/70/28/80/847702880.db2.gz YTXLYRJPTMJXFB-FQEVSTJZSA-N 2 2 382.552 3.745 20 0 GHADLP COc1cc2c(c(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c1)O[C@@H](C)C2 ZINC000502344949 847779889 /nfs/dbraw/zinc/77/98/89/847779889.db2.gz JJZRRZZNSCEBMM-DLBZAZTESA-N 2 2 381.520 3.931 20 0 GHADLP COc1ccc([C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422820936 847839524 /nfs/dbraw/zinc/83/95/24/847839524.db2.gz SXIDPJROSZZBBL-PMACEKPBSA-N 2 2 399.501 3.742 20 0 GHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422901280 847878995 /nfs/dbraw/zinc/87/89/95/847878995.db2.gz RVCDBCXPFWSJHC-NOZRDPDXSA-N 3 2 391.559 3.805 20 0 GHADLP CCC(CC)[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000604173456 861929604 /nfs/dbraw/zinc/92/96/04/861929604.db2.gz KPPHGEDSIVCJHE-IRLDBZIGSA-N 2 2 386.584 3.632 20 0 GHADLP CCC(CC)[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000604173456 861929619 /nfs/dbraw/zinc/92/96/19/861929619.db2.gz KPPHGEDSIVCJHE-IRLDBZIGSA-N 2 2 386.584 3.632 20 0 GHADLP CCC(CC)[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000604178027 861935718 /nfs/dbraw/zinc/93/57/18/861935718.db2.gz DIEBPUOKZUOTLU-FXAWDEMLSA-N 2 2 392.613 3.693 20 0 GHADLP CCC(CC)[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000604178027 861935723 /nfs/dbraw/zinc/93/57/23/861935723.db2.gz DIEBPUOKZUOTLU-FXAWDEMLSA-N 2 2 392.613 3.693 20 0 GHADLP Cc1ccccc1[C@@H](CC(C)C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604199156 861966783 /nfs/dbraw/zinc/96/67/83/861966783.db2.gz KMEHTPKIFRAPRQ-DENIHFKCSA-N 2 2 386.584 3.550 20 0 GHADLP Cc1ccccc1[C@@H](CC(C)C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604199156 861966788 /nfs/dbraw/zinc/96/67/88/861966788.db2.gz KMEHTPKIFRAPRQ-DENIHFKCSA-N 2 2 386.584 3.550 20 0 GHADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+][C@H](c3ncc[nH]3)c3ccccc3)cc2)C[C@H](C)O1 ZINC000125700530 849566008 /nfs/dbraw/zinc/56/60/08/849566008.db2.gz BVJCWMNWOXXOEX-YDHSSHFGSA-N 2 2 390.531 3.898 20 0 GHADLP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425208522 849805285 /nfs/dbraw/zinc/80/52/85/849805285.db2.gz MXLRETXJKWUHFA-NRFANRHFSA-N 2 2 394.494 3.661 20 0 GHADLP [NH3+]CCC[C@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1 ZINC000414729123 849837171 /nfs/dbraw/zinc/83/71/71/849837171.db2.gz CGKOTPTWXXOBNL-SFHVURJKSA-N 2 2 387.553 3.731 20 0 GHADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccc2c(c1)CCCC2 ZINC000434994524 849982065 /nfs/dbraw/zinc/98/20/65/849982065.db2.gz BUCOVHOFGQDAMO-IAGOWNOFSA-N 2 2 380.536 3.734 20 0 GHADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000414759015 850042114 /nfs/dbraw/zinc/04/21/14/850042114.db2.gz ZIMPBQXPZVHGOS-GOSISDBHSA-N 2 2 387.553 3.513 20 0 GHADLP CCCc1csc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000426422824 850094799 /nfs/dbraw/zinc/09/47/99/850094799.db2.gz YCFUKZUQIYLVTH-UHFFFAOYSA-N 3 2 378.630 3.724 20 0 GHADLP CCCc1csc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000426422824 850094812 /nfs/dbraw/zinc/09/48/12/850094812.db2.gz YCFUKZUQIYLVTH-UHFFFAOYSA-N 3 2 378.630 3.724 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732139459 862104104 /nfs/dbraw/zinc/10/41/04/862104104.db2.gz UZDKBLCTTIHAJC-SFHVURJKSA-N 2 2 392.906 3.545 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732139459 862104114 /nfs/dbraw/zinc/10/41/14/862104114.db2.gz UZDKBLCTTIHAJC-SFHVURJKSA-N 2 2 392.906 3.545 20 0 GHADLP COCCOCc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000514758106 850252811 /nfs/dbraw/zinc/25/28/11/850252811.db2.gz JIGCSEHNTSYFAW-UHFFFAOYSA-N 2 2 382.548 3.946 20 0 GHADLP COCCOCc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000514758106 850252821 /nfs/dbraw/zinc/25/28/21/850252821.db2.gz JIGCSEHNTSYFAW-UHFFFAOYSA-N 2 2 382.548 3.946 20 0 GHADLP CCOc1ccc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1OCC ZINC000435439895 850527271 /nfs/dbraw/zinc/52/72/71/850527271.db2.gz XVESTNQXNJJESP-SFHVURJKSA-N 2 2 389.565 3.861 20 0 GHADLP CCOc1ccc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1OCC ZINC000435439895 850527275 /nfs/dbraw/zinc/52/72/75/850527275.db2.gz XVESTNQXNJJESP-SFHVURJKSA-N 2 2 389.565 3.861 20 0 GHADLP C[N@H+](CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435613026 850698953 /nfs/dbraw/zinc/69/89/53/850698953.db2.gz AJSHMTDVXUUJJD-IRLDBZIGSA-N 2 2 385.939 3.620 20 0 GHADLP C[N@@H+](CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435613026 850698961 /nfs/dbraw/zinc/69/89/61/850698961.db2.gz AJSHMTDVXUUJJD-IRLDBZIGSA-N 2 2 385.939 3.620 20 0 GHADLP CC[N@H+](Cc1nc(-c2cc(Br)cs2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435630649 850725707 /nfs/dbraw/zinc/72/57/07/850725707.db2.gz YCMRJEJYKPNVKO-LBPRGKRZSA-N 2 2 385.331 3.525 20 0 GHADLP CC[N@@H+](Cc1nc(-c2cc(Br)cs2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435630649 850725717 /nfs/dbraw/zinc/72/57/17/850725717.db2.gz YCMRJEJYKPNVKO-LBPRGKRZSA-N 2 2 385.331 3.525 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@H](c4ccnn4C)C3)CC2)c1 ZINC000515204570 850783341 /nfs/dbraw/zinc/78/33/41/850783341.db2.gz UYMDUDRHEBRBPH-VXKWHMMOSA-N 2 2 395.595 3.557 20 0 GHADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000668794004 850854180 /nfs/dbraw/zinc/85/41/80/850854180.db2.gz XNVZJDWUALWUKT-UHFFFAOYSA-N 2 2 379.489 3.612 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cnn(C)c3C(F)(F)F)C2)s1 ZINC000515487633 851097465 /nfs/dbraw/zinc/09/74/65/851097465.db2.gz KVAPLCUFEFETOM-AWEZNQCLSA-N 2 2 386.487 3.763 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cnn(C)c3C(F)(F)F)C2)s1 ZINC000515487633 851097474 /nfs/dbraw/zinc/09/74/74/851097474.db2.gz KVAPLCUFEFETOM-AWEZNQCLSA-N 2 2 386.487 3.763 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cnn(C)c3C(F)(F)F)C2)s1 ZINC000515487633 851097481 /nfs/dbraw/zinc/09/74/81/851097481.db2.gz KVAPLCUFEFETOM-AWEZNQCLSA-N 2 2 386.487 3.763 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cnn(C)c3C(F)(F)F)C2)s1 ZINC000515487633 851097486 /nfs/dbraw/zinc/09/74/86/851097486.db2.gz KVAPLCUFEFETOM-AWEZNQCLSA-N 2 2 386.487 3.763 20 0 GHADLP Cc1ccccc1-n1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000515700607 851374960 /nfs/dbraw/zinc/37/49/60/851374960.db2.gz ASODFTLYAVHLGY-UHFFFAOYSA-N 2 2 375.520 3.851 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000110722230 851393915 /nfs/dbraw/zinc/39/39/15/851393915.db2.gz QFAGIVLMUVDIKQ-GCJKJVERSA-N 2 2 381.520 3.711 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000110722230 851393923 /nfs/dbraw/zinc/39/39/23/851393923.db2.gz QFAGIVLMUVDIKQ-GCJKJVERSA-N 2 2 381.520 3.711 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H](c3ccco3)N3CCCC3)CC2)cc1 ZINC000152272562 851598979 /nfs/dbraw/zinc/59/89/79/851598979.db2.gz SVCLZDDYORYYOU-JOCHJYFZSA-N 2 2 385.527 3.852 20 0 GHADLP Clc1cccc(N2CCOCC2)c1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000550138669 851729453 /nfs/dbraw/zinc/72/94/53/851729453.db2.gz KHNVYOLMAVVYSH-UHFFFAOYSA-N 2 2 382.895 3.652 20 0 GHADLP Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000488998549 851916407 /nfs/dbraw/zinc/91/64/07/851916407.db2.gz XJWDYZPBGXJWPQ-RBUKOAKNSA-N 2 2 383.580 3.651 20 0 GHADLP C[C@H](c1nnc(SC[C@@H]2CC[N@H+](C)C2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000473795307 852047067 /nfs/dbraw/zinc/04/70/67/852047067.db2.gz JDJQRBKBGROKEZ-ZIAGYGMSSA-N 2 2 379.961 3.587 20 0 GHADLP C[C@H](c1nnc(SC[C@@H]2CC[N@@H+](C)C2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000473795307 852047078 /nfs/dbraw/zinc/04/70/78/852047078.db2.gz JDJQRBKBGROKEZ-ZIAGYGMSSA-N 2 2 379.961 3.587 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(CC(C)C)nc3)CC2)cc1 ZINC000894729742 852050236 /nfs/dbraw/zinc/05/02/36/852050236.db2.gz RPLNKOAKMXZUCY-UHFFFAOYSA-N 2 2 394.563 3.993 20 0 GHADLP C[C@@H](c1nnc(SC[C@@H]2CC[N@H+](C)C2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000473794788 852072391 /nfs/dbraw/zinc/07/23/91/852072391.db2.gz NFJHGLBHMMEWIB-ZWKOTPCHSA-N 2 2 385.581 3.858 20 0 GHADLP C[C@@H](c1nnc(SC[C@@H]2CC[N@@H+](C)C2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000473794788 852072394 /nfs/dbraw/zinc/07/23/94/852072394.db2.gz NFJHGLBHMMEWIB-ZWKOTPCHSA-N 2 2 385.581 3.858 20 0 GHADLP CCOc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1OCC ZINC000425956534 852114919 /nfs/dbraw/zinc/11/49/19/852114919.db2.gz XMZGFMMGHRIXBO-XMMPIXPASA-N 2 2 398.547 3.553 20 0 GHADLP CCOc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1OCC ZINC000425956534 852114922 /nfs/dbraw/zinc/11/49/22/852114922.db2.gz XMZGFMMGHRIXBO-XMMPIXPASA-N 2 2 398.547 3.553 20 0 GHADLP CCOc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1OCC ZINC000425956534 852114926 /nfs/dbraw/zinc/11/49/26/852114926.db2.gz XMZGFMMGHRIXBO-XMMPIXPASA-N 2 2 398.547 3.553 20 0 GHADLP CCOc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1OCC ZINC000425956534 852114929 /nfs/dbraw/zinc/11/49/29/852114929.db2.gz XMZGFMMGHRIXBO-XMMPIXPASA-N 2 2 398.547 3.553 20 0 GHADLP CC(C)[NH2+]CCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000516103512 852144886 /nfs/dbraw/zinc/14/48/86/852144886.db2.gz RMBDIJGEXCEBEW-UHFFFAOYSA-N 2 2 389.540 3.587 20 0 GHADLP CCC[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000625561747 862362704 /nfs/dbraw/zinc/36/27/04/862362704.db2.gz VNSZBNCKTPMDOO-HXUWFJFHSA-N 2 2 379.976 3.708 20 0 GHADLP CCC[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000625561747 862362724 /nfs/dbraw/zinc/36/27/24/862362724.db2.gz VNSZBNCKTPMDOO-HXUWFJFHSA-N 2 2 379.976 3.708 20 0 GHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cccc(F)c3Cl)CC2)C[C@@H](C)O1 ZINC000516486976 852633229 /nfs/dbraw/zinc/63/32/29/852633229.db2.gz QLXWSSXDRVHVPR-HZPDHXFCSA-N 2 2 384.923 3.569 20 0 GHADLP O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000507281639 852750556 /nfs/dbraw/zinc/75/05/56/852750556.db2.gz UCAZIHHUOQCLGH-UHFFFAOYSA-N 2 2 378.451 3.862 20 0 GHADLP Cc1cc(N(CC[NH+]2CCOCC2)Cc2sccc2Br)cc[nH+]1 ZINC000516596901 852781317 /nfs/dbraw/zinc/78/13/17/852781317.db2.gz JLCRCFSEAXDNJB-UHFFFAOYSA-N 2 2 396.354 3.553 20 0 GHADLP Cn1ncc2c1nc[nH+]c2N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000509583793 853013216 /nfs/dbraw/zinc/01/32/16/853013216.db2.gz DQFDDVFGCKOKPJ-UHFFFAOYSA-N 2 2 393.322 3.628 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(Nc3ncnc4sc5ccccc5c43)CC2)CC1 ZINC000440639238 853482606 /nfs/dbraw/zinc/48/26/06/853482606.db2.gz PEQMCPMUICDYQC-UHFFFAOYSA-N 2 2 381.549 3.815 20 0 GHADLP Cc1ccc2cc([C@@H](C)[NH2+]Cc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)oc2c1 ZINC000425928883 853648856 /nfs/dbraw/zinc/64/88/56/853648856.db2.gz TVNGWUVRTNNTMC-GOSISDBHSA-N 2 2 391.515 3.980 20 0 GHADLP CC[C@@H](C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000571130385 853760679 /nfs/dbraw/zinc/76/06/79/853760679.db2.gz NOUYTCKEOYUUPD-XXBNENTESA-N 2 2 395.547 3.929 20 0 GHADLP CC[C@@H](C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000571130385 853760685 /nfs/dbraw/zinc/76/06/85/853760685.db2.gz NOUYTCKEOYUUPD-XXBNENTESA-N 2 2 395.547 3.929 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000441413773 854192165 /nfs/dbraw/zinc/19/21/65/854192165.db2.gz ZIWLUIJHNOWWHQ-HSQYWUDLSA-N 2 2 385.527 3.578 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000441413773 854192168 /nfs/dbraw/zinc/19/21/68/854192168.db2.gz ZIWLUIJHNOWWHQ-HSQYWUDLSA-N 2 2 385.527 3.578 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000441413773 854192169 /nfs/dbraw/zinc/19/21/69/854192169.db2.gz ZIWLUIJHNOWWHQ-HSQYWUDLSA-N 2 2 385.527 3.578 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000441413773 854192172 /nfs/dbraw/zinc/19/21/72/854192172.db2.gz ZIWLUIJHNOWWHQ-HSQYWUDLSA-N 2 2 385.527 3.578 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572129976 854407478 /nfs/dbraw/zinc/40/74/78/854407478.db2.gz FPLPUHGZXYUWKO-UXHICEINSA-N 2 2 389.902 3.546 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572129976 854407481 /nfs/dbraw/zinc/40/74/81/854407481.db2.gz FPLPUHGZXYUWKO-UXHICEINSA-N 2 2 389.902 3.546 20 0 GHADLP COc1c(Br)cccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000481993193 862587540 /nfs/dbraw/zinc/58/75/40/862587540.db2.gz NEPPZOGOUIVNAY-KDOFPFPSSA-N 2 2 379.342 3.906 20 0 GHADLP COc1c(Br)cccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000481993193 862587557 /nfs/dbraw/zinc/58/75/57/862587557.db2.gz NEPPZOGOUIVNAY-KDOFPFPSSA-N 2 2 379.342 3.906 20 0 GHADLP COc1c(Br)cccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000481993193 862587570 /nfs/dbraw/zinc/58/75/70/862587570.db2.gz NEPPZOGOUIVNAY-KDOFPFPSSA-N 2 2 379.342 3.906 20 0 GHADLP COc1c(Br)cccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000481993193 862587582 /nfs/dbraw/zinc/58/75/82/862587582.db2.gz NEPPZOGOUIVNAY-KDOFPFPSSA-N 2 2 379.342 3.906 20 0 GHADLP CC(C)[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000073540366 854736353 /nfs/dbraw/zinc/73/63/53/854736353.db2.gz MDBYIBVTVHFWIM-NRFANRHFSA-N 2 2 386.584 3.633 20 0 GHADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)s2)cc1 ZINC000765791450 854820104 /nfs/dbraw/zinc/82/01/04/854820104.db2.gz JFBLTUKADLMXHR-POZUXBRTSA-N 2 2 387.549 3.641 20 0 GHADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)s2)cc1 ZINC000765791450 854820108 /nfs/dbraw/zinc/82/01/08/854820108.db2.gz JFBLTUKADLMXHR-POZUXBRTSA-N 2 2 387.549 3.641 20 0 GHADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(I)cc1 ZINC000589350005 854821728 /nfs/dbraw/zinc/82/17/28/854821728.db2.gz QRFORSNPURLWAV-ZIAGYGMSSA-N 2 2 381.261 3.613 20 0 GHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441447752 854914946 /nfs/dbraw/zinc/91/49/46/854914946.db2.gz NWZGCVDPIQHDSH-HXUWFJFHSA-N 2 2 389.559 3.761 20 0 GHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441447752 854914958 /nfs/dbraw/zinc/91/49/58/854914958.db2.gz NWZGCVDPIQHDSH-HXUWFJFHSA-N 2 2 389.559 3.761 20 0 GHADLP CC(C)Sc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000482015283 862631364 /nfs/dbraw/zinc/63/13/64/862631364.db2.gz IWTXTALWAWRMJX-PXNSSMCTSA-N 2 2 377.598 3.780 20 0 GHADLP CC(C)Sc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000482015283 862631373 /nfs/dbraw/zinc/63/13/73/862631373.db2.gz IWTXTALWAWRMJX-PXNSSMCTSA-N 2 2 377.598 3.780 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C(c1ccccc1)c1ccccc1 ZINC000482020434 862637294 /nfs/dbraw/zinc/63/72/94/862637294.db2.gz YCCKQSOSBGYXDH-OFNKIYASSA-N 2 2 393.575 3.739 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C(c1ccccc1)c1ccccc1 ZINC000482020434 862637302 /nfs/dbraw/zinc/63/73/02/862637302.db2.gz YCCKQSOSBGYXDH-OFNKIYASSA-N 2 2 393.575 3.739 20 0 GHADLP FC(F)(F)[C@H]1C[N@H+](Cc2ccccc2)CCN1C1CC[NH+](CC2CC2)CC1 ZINC001168394953 855166839 /nfs/dbraw/zinc/16/68/39/855166839.db2.gz ICJKCUPFZITKSB-HXUWFJFHSA-N 2 2 381.486 3.610 20 0 GHADLP FC(F)(F)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C1CC[NH+](CC2CC2)CC1 ZINC001168394953 855166844 /nfs/dbraw/zinc/16/68/44/855166844.db2.gz ICJKCUPFZITKSB-HXUWFJFHSA-N 2 2 381.486 3.610 20 0 GHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000507766402 855432182 /nfs/dbraw/zinc/43/21/82/855432182.db2.gz KGDZEZJRHQXRGD-DENIHFKCSA-N 2 2 392.547 3.821 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)o1 ZINC000591251430 855825209 /nfs/dbraw/zinc/82/52/09/855825209.db2.gz ATZCJZLBQYBOCR-QGZVFWFLSA-N 2 2 385.508 3.767 20 0 GHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1cccc(N2CCCC2=O)c1 ZINC000482123007 862733327 /nfs/dbraw/zinc/73/33/27/862733327.db2.gz RVMMYBCDIAPJPY-WMZOPIPTSA-N 2 2 380.536 3.973 20 0 GHADLP [NH3+][C@H]1CC[C@H](N(Cc2ccc(Cl)cc2-n2cncn2)c2cccc[nH+]2)CC1 ZINC000895111164 856123638 /nfs/dbraw/zinc/12/36/38/856123638.db2.gz AOPZLRYQYYKHAB-IYARVYRRSA-N 2 2 382.899 3.592 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)CC[C@@H](O)c2ccccc2)c(C)c1 ZINC000905182095 856188880 /nfs/dbraw/zinc/18/88/80/856188880.db2.gz WMKGOOZJYUQGPN-OEMFJLHTSA-N 2 2 393.531 3.706 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)CC[N@@H+]1C ZINC000280949046 862771329 /nfs/dbraw/zinc/77/13/29/862771329.db2.gz JMWWKCPXCOWYBJ-GMXABZIVSA-N 2 2 395.263 3.574 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)CC[N@H+]1C ZINC000280949046 862771333 /nfs/dbraw/zinc/77/13/33/862771333.db2.gz JMWWKCPXCOWYBJ-GMXABZIVSA-N 2 2 395.263 3.574 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000282310049 856289768 /nfs/dbraw/zinc/28/97/68/856289768.db2.gz DKPJZASZRFFVOH-FXAWDEMLSA-N 2 2 375.476 3.829 20 0 GHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000172685263 856545371 /nfs/dbraw/zinc/54/53/71/856545371.db2.gz ULUHATDEPYWGMJ-QHCPKHFHSA-N 2 2 388.515 3.602 20 0 GHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000172685263 856545376 /nfs/dbraw/zinc/54/53/76/856545376.db2.gz ULUHATDEPYWGMJ-QHCPKHFHSA-N 2 2 388.515 3.602 20 0 GHADLP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047295702 856991869 /nfs/dbraw/zinc/99/18/69/856991869.db2.gz UTUCPGIBVFCAPW-LJQANCHMSA-N 2 2 380.517 3.560 20 0 GHADLP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000281176794 862871425 /nfs/dbraw/zinc/87/14/25/862871425.db2.gz ZDGPVVYEKDYSLV-FYYLOGMGSA-N 2 2 386.499 3.688 20 0 GHADLP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000281176794 862871446 /nfs/dbraw/zinc/87/14/46/862871446.db2.gz ZDGPVVYEKDYSLV-FYYLOGMGSA-N 2 2 386.499 3.688 20 0 GHADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1C ZINC000665256956 857138438 /nfs/dbraw/zinc/13/84/38/857138438.db2.gz TVGSWCUHRVLKFR-SAWYMBPVSA-N 2 2 383.511 3.895 20 0 GHADLP C[C@@H]([NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181447042 862883209 /nfs/dbraw/zinc/88/32/09/862883209.db2.gz NFYFVFAPGRCNGT-ZBFHGGJFSA-N 2 2 382.414 3.607 20 0 GHADLP COc1ccc([C@H]2C[C@H]([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CCO2)cc1 ZINC001168582399 857241253 /nfs/dbraw/zinc/24/12/53/857241253.db2.gz DRMADNPBZJYAPP-ISKFKSNPSA-N 2 2 396.531 3.537 20 0 GHADLP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658292751 857263472 /nfs/dbraw/zinc/26/34/72/857263472.db2.gz AZCIERWHLITEJU-JJRVBVJISA-N 2 2 387.351 3.992 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000593292491 857455063 /nfs/dbraw/zinc/45/50/63/857455063.db2.gz AGOFDPGBRGPIBQ-IRLDBZIGSA-N 2 2 396.535 3.673 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000593292491 857455070 /nfs/dbraw/zinc/45/50/70/857455070.db2.gz AGOFDPGBRGPIBQ-IRLDBZIGSA-N 2 2 396.535 3.673 20 0 GHADLP COCC[N@H+](C)CC[C@@H](Nc1cc(N2CCC[C@@H](C)C2)nc[nH+]1)c1ccccc1 ZINC000521118652 857615782 /nfs/dbraw/zinc/61/57/82/857615782.db2.gz GZZGBVMTDVABBE-TZIWHRDSSA-N 2 2 397.567 3.834 20 0 GHADLP COCC[N@@H+](C)CC[C@@H](Nc1cc(N2CCC[C@@H](C)C2)nc[nH+]1)c1ccccc1 ZINC000521118652 857615791 /nfs/dbraw/zinc/61/57/91/857615791.db2.gz GZZGBVMTDVABBE-TZIWHRDSSA-N 2 2 397.567 3.834 20 0 GHADLP COCC[N@H+](C)CC[C@@H](Nc1cc(N2CCC[C@@H](C)C2)[nH+]cn1)c1ccccc1 ZINC000521118652 857615797 /nfs/dbraw/zinc/61/57/97/857615797.db2.gz GZZGBVMTDVABBE-TZIWHRDSSA-N 2 2 397.567 3.834 20 0 GHADLP COCC[N@@H+](C)CC[C@@H](Nc1cc(N2CCC[C@@H](C)C2)[nH+]cn1)c1ccccc1 ZINC000521118652 857615805 /nfs/dbraw/zinc/61/58/05/857615805.db2.gz GZZGBVMTDVABBE-TZIWHRDSSA-N 2 2 397.567 3.834 20 0 GHADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000675970269 857688688 /nfs/dbraw/zinc/68/86/88/857688688.db2.gz BPAUPWDVSTXBOX-NQIIRXRSSA-N 2 2 384.495 3.702 20 0 GHADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000675970269 857688692 /nfs/dbraw/zinc/68/86/92/857688692.db2.gz BPAUPWDVSTXBOX-NQIIRXRSSA-N 2 2 384.495 3.702 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCC[C@H](c4ccccc4)C3)CC2)CC1 ZINC000486476162 857774336 /nfs/dbraw/zinc/77/43/36/857774336.db2.gz ZELBHDNSXFOUPY-UNMCSNQZSA-N 2 2 398.595 3.571 20 0 GHADLP COc1cc2c(c(CNc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)c1)O[C@H](C)C2 ZINC000676201727 857783231 /nfs/dbraw/zinc/78/32/31/857783231.db2.gz IAKZKYVJEMRCBX-MRXNPFEDSA-N 2 2 396.535 3.556 20 0 GHADLP CC1(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000157886651 857792444 /nfs/dbraw/zinc/79/24/44/857792444.db2.gz DRZLRHFPFXMNHT-UHFFFAOYSA-N 2 2 388.515 3.791 20 0 GHADLP C[C@@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[NH+]1CC(C)C1 ZINC000521457366 857999155 /nfs/dbraw/zinc/99/91/55/857999155.db2.gz QWEIJVYTNFWTHY-IBGZPJMESA-N 2 2 388.515 3.555 20 0 GHADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543043401 858053595 /nfs/dbraw/zinc/05/35/95/858053595.db2.gz VKZRBKYYBLOTRK-NRFANRHFSA-N 2 2 389.588 3.595 20 0 GHADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543043401 858053603 /nfs/dbraw/zinc/05/36/03/858053603.db2.gz VKZRBKYYBLOTRK-NRFANRHFSA-N 2 2 389.588 3.595 20 0 GHADLP Cc1cccc(Oc2ccccc2C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000442719439 858090889 /nfs/dbraw/zinc/09/08/89/858090889.db2.gz HHEADHHXOAKPSY-UHFFFAOYSA-N 2 2 395.547 3.885 20 0 GHADLP Cc1cccc(Oc2ccccc2C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000442719439 858090892 /nfs/dbraw/zinc/09/08/92/858090892.db2.gz HHEADHHXOAKPSY-UHFFFAOYSA-N 2 2 395.547 3.885 20 0 GHADLP CS[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C1 ZINC000922160089 858165895 /nfs/dbraw/zinc/16/58/95/858165895.db2.gz UDXMUPZNRUKJQG-NHCUHLMSSA-N 2 2 375.582 3.873 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)n2C ZINC000521941615 858471986 /nfs/dbraw/zinc/47/19/86/858471986.db2.gz AFEXDJREHBZLHI-HKUYNNGSSA-N 2 2 378.520 3.582 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)n2C ZINC000521941615 858471991 /nfs/dbraw/zinc/47/19/91/858471991.db2.gz AFEXDJREHBZLHI-HKUYNNGSSA-N 2 2 378.520 3.582 20 0 GHADLP CCc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000183401936 858737673 /nfs/dbraw/zinc/73/76/73/858737673.db2.gz UFOVOQOUHDFVGL-QHCPKHFHSA-N 2 2 390.531 3.598 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000596118210 858784013 /nfs/dbraw/zinc/78/40/13/858784013.db2.gz SGVFBBBBZJBLEZ-UIFIKXQLSA-N 2 2 387.568 3.640 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000596118210 858784020 /nfs/dbraw/zinc/78/40/20/858784020.db2.gz SGVFBBBBZJBLEZ-UIFIKXQLSA-N 2 2 387.568 3.640 20 0 GHADLP CN(C(=O)C1(Cc2ccccc2)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183669436 858791688 /nfs/dbraw/zinc/79/16/88/858791688.db2.gz ALEXXWGLVSPJES-GOTSBHOMSA-N 2 2 397.607 3.805 20 0 GHADLP CN(C(=O)C1(Cc2ccccc2)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183669436 858791696 /nfs/dbraw/zinc/79/16/96/858791696.db2.gz ALEXXWGLVSPJES-GOTSBHOMSA-N 2 2 397.607 3.805 20 0 GHADLP Cc1c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cnn1-c1cc(C)ccc1C ZINC000482741770 858812692 /nfs/dbraw/zinc/81/26/92/858812692.db2.gz QAYGVADQCJHBJM-FPOVZHCZSA-N 2 2 384.568 3.541 20 0 GHADLP Cc1cc(N2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)nc(C2CC2)[nH+]1 ZINC000856535491 881349204 /nfs/dbraw/zinc/34/92/04/881349204.db2.gz ACRWEFCUNIURLB-HXUWFJFHSA-N 2 2 381.524 3.555 20 0 GHADLP Cc1cc(N2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)nc(C2CC2)[nH+]1 ZINC000856535491 881349230 /nfs/dbraw/zinc/34/92/30/881349230.db2.gz ACRWEFCUNIURLB-HXUWFJFHSA-N 2 2 381.524 3.555 20 0 GHADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000116396041 858959578 /nfs/dbraw/zinc/95/95/78/858959578.db2.gz UCLIOKJQQJQSBD-BXUZGUMPSA-N 2 2 375.344 3.671 20 0 GHADLP COc1ccccc1N1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000596660479 858978235 /nfs/dbraw/zinc/97/82/35/858978235.db2.gz FMEIMBFHMZUMTA-UHFFFAOYSA-N 2 2 380.467 3.779 20 0 GHADLP C[C@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185721413 859121684 /nfs/dbraw/zinc/12/16/84/859121684.db2.gz LINRWYIKJUQHMI-WPYKKVEZSA-N 2 2 383.580 3.983 20 0 GHADLP C[C@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185721413 859121690 /nfs/dbraw/zinc/12/16/90/859121690.db2.gz LINRWYIKJUQHMI-WPYKKVEZSA-N 2 2 383.580 3.983 20 0 GHADLP C[C@@H](CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[NH+]1CCCCC1 ZINC000543286143 859146053 /nfs/dbraw/zinc/14/60/53/859146053.db2.gz BNAWEBPNFYZHBL-INIZCTEOSA-N 2 2 379.574 3.515 20 0 GHADLP CCCc1sc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1CC ZINC000601474340 859284634 /nfs/dbraw/zinc/28/46/34/859284634.db2.gz NVESXYJDIWHQTK-GOSISDBHSA-N 2 2 377.598 3.504 20 0 GHADLP CCCc1sc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1CC ZINC000601474340 859284648 /nfs/dbraw/zinc/28/46/48/859284648.db2.gz NVESXYJDIWHQTK-GOSISDBHSA-N 2 2 377.598 3.504 20 0 GHADLP C[N@H+](Cc1ccc(OCC2CC2)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000483352772 859306069 /nfs/dbraw/zinc/30/60/69/859306069.db2.gz CQTSLHYIBWPGTO-XMMPIXPASA-N 2 2 380.532 3.544 20 0 GHADLP C[N@@H+](Cc1ccc(OCC2CC2)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000483352772 859306079 /nfs/dbraw/zinc/30/60/79/859306079.db2.gz CQTSLHYIBWPGTO-XMMPIXPASA-N 2 2 380.532 3.544 20 0 GHADLP C[NH+](Cc1ccc(OCC2CC2)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000483352772 859306090 /nfs/dbraw/zinc/30/60/90/859306090.db2.gz CQTSLHYIBWPGTO-XMMPIXPASA-N 2 2 380.532 3.544 20 0 GHADLP C[NH+](Cc1ccc(OCC2CC2)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000483352772 859306099 /nfs/dbraw/zinc/30/60/99/859306099.db2.gz CQTSLHYIBWPGTO-XMMPIXPASA-N 2 2 380.532 3.544 20 0 GHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3-n3cncn3)C2)CC1 ZINC000474160153 859383499 /nfs/dbraw/zinc/38/34/99/859383499.db2.gz PFCWKVBVKMSVKD-SFHVURJKSA-N 2 2 387.959 3.865 20 0 GHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3-n3cncn3)C2)CC1 ZINC000474160153 859383505 /nfs/dbraw/zinc/38/35/05/859383505.db2.gz PFCWKVBVKMSVKD-SFHVURJKSA-N 2 2 387.959 3.865 20 0 GHADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429445183 859389749 /nfs/dbraw/zinc/38/97/49/859389749.db2.gz FQBNZJAYOBBBER-CTNGQTDRSA-N 2 2 392.547 3.765 20 0 GHADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429445183 859389755 /nfs/dbraw/zinc/38/97/55/859389755.db2.gz FQBNZJAYOBBBER-CTNGQTDRSA-N 2 2 392.547 3.765 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccnc(Cl)c3F)C2)ccn1 ZINC000856558879 881425418 /nfs/dbraw/zinc/42/54/18/881425418.db2.gz MQLMLIHRLXHGNB-SFHVURJKSA-N 2 2 392.906 3.763 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccnc(Cl)c3F)C2)ccn1 ZINC000856558879 881425438 /nfs/dbraw/zinc/42/54/38/881425438.db2.gz MQLMLIHRLXHGNB-SFHVURJKSA-N 2 2 392.906 3.763 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccnc(Cl)c3F)C2)ccn1 ZINC000856558879 881425449 /nfs/dbraw/zinc/42/54/49/881425449.db2.gz MQLMLIHRLXHGNB-SFHVURJKSA-N 2 2 392.906 3.763 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccnc(Cl)c3F)C2)ccn1 ZINC000856558879 881425460 /nfs/dbraw/zinc/42/54/60/881425460.db2.gz MQLMLIHRLXHGNB-SFHVURJKSA-N 2 2 392.906 3.763 20 0 GHADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000626087799 859530122 /nfs/dbraw/zinc/53/01/22/859530122.db2.gz BZYOBTJGRUNVIM-UHFFFAOYSA-N 2 2 386.458 3.705 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)CCCC1)c1ccccc1 ZINC000428289996 859536863 /nfs/dbraw/zinc/53/68/63/859536863.db2.gz VXXMZAHZPJOQRS-KRWDZBQOSA-N 2 2 379.504 3.885 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000543394413 859547780 /nfs/dbraw/zinc/54/77/80/859547780.db2.gz ONSAYZZLIBZPQU-UHFFFAOYSA-N 2 2 399.901 3.686 20 0 GHADLP COCc1cc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)ccc1OC ZINC000764765611 859594260 /nfs/dbraw/zinc/59/42/60/859594260.db2.gz AXLOLFLDTQELCH-FQEVSTJZSA-N 2 2 397.563 3.705 20 0 GHADLP Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)nc1 ZINC000484065499 859795552 /nfs/dbraw/zinc/79/55/52/859795552.db2.gz DYFFQMKZAYPOKW-FQEVSTJZSA-N 2 2 389.503 3.735 20 0 GHADLP Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)nc1 ZINC000484065499 859795559 /nfs/dbraw/zinc/79/55/59/859795559.db2.gz DYFFQMKZAYPOKW-FQEVSTJZSA-N 2 2 389.503 3.735 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000484091468 859799718 /nfs/dbraw/zinc/79/97/18/859799718.db2.gz IUSSFHOFKUQKPN-UHFFFAOYSA-N 2 2 390.487 3.737 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(OC(F)F)c1 ZINC000484148824 859837028 /nfs/dbraw/zinc/83/70/28/859837028.db2.gz USQDAVUNWMNCLS-SCWSEQNSSA-N 2 2 390.474 3.822 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(OC(F)F)c1 ZINC000484148824 859837033 /nfs/dbraw/zinc/83/70/33/859837033.db2.gz USQDAVUNWMNCLS-SCWSEQNSSA-N 2 2 390.474 3.822 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1CO)CCC2 ZINC000484152146 859839142 /nfs/dbraw/zinc/83/91/42/859839142.db2.gz OVNUWXJJFQCVRA-FGCOXFRFSA-N 2 2 380.532 3.545 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1CO)CCC2 ZINC000484152146 859839144 /nfs/dbraw/zinc/83/91/44/859839144.db2.gz OVNUWXJJFQCVRA-FGCOXFRFSA-N 2 2 380.532 3.545 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(OC(F)F)c1 ZINC000484161347 859854526 /nfs/dbraw/zinc/85/45/26/859854526.db2.gz JHKFPHASCOONKO-HRAATJIYSA-N 2 2 376.447 3.576 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC(F)F)c1 ZINC000484161347 859854529 /nfs/dbraw/zinc/85/45/29/859854529.db2.gz JHKFPHASCOONKO-HRAATJIYSA-N 2 2 376.447 3.576 20 0 GHADLP Brc1cscc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000510185989 859854890 /nfs/dbraw/zinc/85/48/90/859854890.db2.gz QLCWPYFVGICPFZ-UHFFFAOYSA-N 2 2 381.339 3.633 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000921518307 860005470 /nfs/dbraw/zinc/00/54/70/860005470.db2.gz SUSMMVBUKVMROP-PXNSSMCTSA-N 2 2 384.524 3.714 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccccc1 ZINC000474437611 860097294 /nfs/dbraw/zinc/09/72/94/860097294.db2.gz XZEOVTIHTMHSPA-NQIIRXRSSA-N 2 2 382.552 3.837 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccccc1 ZINC000474437611 860097306 /nfs/dbraw/zinc/09/73/06/860097306.db2.gz XZEOVTIHTMHSPA-NQIIRXRSSA-N 2 2 382.552 3.837 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C1CCC(C(F)(F)F)CC1 ZINC000474485511 860202598 /nfs/dbraw/zinc/20/25/98/860202598.db2.gz FKVLHCLDYGPUGM-AZNSAFFESA-N 2 2 384.486 3.752 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)C1CCC(C(F)(F)F)CC1 ZINC000474485511 860202608 /nfs/dbraw/zinc/20/26/08/860202608.db2.gz FKVLHCLDYGPUGM-AZNSAFFESA-N 2 2 384.486 3.752 20 0 GHADLP c1ccc(OCc2cccc(C[NH+]3CCC([NH2+]C4CCOCC4)CC3)c2)cc1 ZINC000896035383 860277050 /nfs/dbraw/zinc/27/70/50/860277050.db2.gz CAMMFHXRVPCVEG-UHFFFAOYSA-N 2 2 380.532 3.999 20 0 GHADLP [NH3+]CC[C@H]1CN(c2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)c2ccccc21 ZINC001168548502 860329889 /nfs/dbraw/zinc/32/98/89/860329889.db2.gz HMPAPIAKLSQBSX-ZWKOTPCHSA-N 3 2 375.520 3.935 20 0 GHADLP Clc1cccc2c1C[C@@H](N(c1cccc[nH+]1)[C@@H]1COC3(C1)CC[NH2+]CC3)C2 ZINC001168730592 860335314 /nfs/dbraw/zinc/33/53/14/860335314.db2.gz JYWJHPWUJOXUEN-ROUUACIJSA-N 2 2 383.923 3.620 20 0 GHADLP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000474576552 860373995 /nfs/dbraw/zinc/37/39/95/860373995.db2.gz LEDXPHWSVBDJML-JOCHJYFZSA-N 2 2 399.510 3.759 20 0 GHADLP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000474576552 860374004 /nfs/dbraw/zinc/37/40/04/860374004.db2.gz LEDXPHWSVBDJML-JOCHJYFZSA-N 2 2 399.510 3.759 20 0 GHADLP CCc1noc([C@H]2CC[C@@H]([NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)C2)n1 ZINC000922871233 860701527 /nfs/dbraw/zinc/70/15/27/860701527.db2.gz WIOQNCICWAWPSN-FUHWJXTLSA-N 2 2 383.540 3.593 20 0 GHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474762527 860730697 /nfs/dbraw/zinc/73/06/97/860730697.db2.gz LDXACZHKSCLSLZ-SFTDATJTSA-N 2 2 399.510 3.727 20 0 GHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474762527 860730701 /nfs/dbraw/zinc/73/07/01/860730701.db2.gz LDXACZHKSCLSLZ-SFTDATJTSA-N 2 2 399.510 3.727 20 0 GHADLP Cc1[nH]c(C2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)CC2)[nH+]c1C ZINC000899505634 860970551 /nfs/dbraw/zinc/97/05/51/860970551.db2.gz OKHSNSAOYIJHQQ-HXUWFJFHSA-N 2 2 398.526 3.784 20 0 GHADLP Cc1[nH]c(C2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CC2)[nH+]c1C ZINC000899505634 860970567 /nfs/dbraw/zinc/97/05/67/860970567.db2.gz OKHSNSAOYIJHQQ-HXUWFJFHSA-N 2 2 398.526 3.784 20 0 GHADLP CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC000673651541 861127920 /nfs/dbraw/zinc/12/79/20/861127920.db2.gz QPJVFQZRXHQCFK-GOSISDBHSA-N 2 2 397.350 3.805 20 0 GHADLP CC[C@H]([NH2+]CC1(C[NH2+][C@@H](CC)c2c(C)noc2C)COC1)c1c(C)noc1C ZINC000182469075 863239369 /nfs/dbraw/zinc/23/93/69/863239369.db2.gz QEQILDPXRLSVIV-ROUUACIJSA-N 2 2 390.528 3.694 20 0 GHADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000626089218 863290486 /nfs/dbraw/zinc/29/04/86/863290486.db2.gz GOZHNPCROSWFJG-UHFFFAOYSA-N 2 2 395.547 3.737 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 ZINC000766192807 863307915 /nfs/dbraw/zinc/30/79/15/863307915.db2.gz XIQYPDNOPXHCEW-HSZRJFAPSA-N 2 2 392.591 3.976 20 0 GHADLP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000182810323 863363676 /nfs/dbraw/zinc/36/36/76/863363676.db2.gz BOAOXALOSIXVGU-GOSISDBHSA-N 2 2 397.544 3.511 20 0 GHADLP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(O[C@H]2CCOC2)c1 ZINC000120567692 881672606 /nfs/dbraw/zinc/67/26/06/881672606.db2.gz BCKJHAUVRSTXNJ-DEOSSOPVSA-N 2 2 394.559 3.959 20 0 GHADLP CC[N@H+](C)[C@@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccccc1 ZINC000606376208 863570387 /nfs/dbraw/zinc/57/03/87/863570387.db2.gz LRAXILOJEONGIE-SELNLUPBSA-N 2 2 395.547 3.927 20 0 GHADLP CC[N@@H+](C)[C@@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccccc1 ZINC000606376208 863570398 /nfs/dbraw/zinc/57/03/98/863570398.db2.gz LRAXILOJEONGIE-SELNLUPBSA-N 2 2 395.547 3.927 20 0 GHADLP CC[NH+](C)[C@@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccccc1 ZINC000606376208 863570409 /nfs/dbraw/zinc/57/04/09/863570409.db2.gz LRAXILOJEONGIE-SELNLUPBSA-N 2 2 395.547 3.927 20 0 GHADLP CC[NH+](C)[C@@H](C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccccc1 ZINC000606376208 863570419 /nfs/dbraw/zinc/57/04/19/863570419.db2.gz LRAXILOJEONGIE-SELNLUPBSA-N 2 2 395.547 3.927 20 0 GHADLP COc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1OCc1ccc(F)cc1 ZINC000494409737 881685412 /nfs/dbraw/zinc/68/54/12/881685412.db2.gz ZWQHFMKCYLUHNY-IBGZPJMESA-N 2 2 381.451 3.714 20 0 GHADLP O=C(C[NH+](Cc1cccs1)Cc1cccs1)NC1CC[NH+](C2CC2)CC1 ZINC000042509073 863977409 /nfs/dbraw/zinc/97/74/09/863977409.db2.gz LORQQZZGUCRISZ-UHFFFAOYSA-N 2 2 389.590 3.555 20 0 GHADLP C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)c2)C1 ZINC000856770481 881734481 /nfs/dbraw/zinc/73/44/81/881734481.db2.gz RXPNRJFPJPDSSF-QFIPXVFZSA-N 2 2 388.515 3.671 20 0 GHADLP C[N@H+]1CCC[C@H](c2cccc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)c2)C1 ZINC000856770481 881734493 /nfs/dbraw/zinc/73/44/93/881734493.db2.gz RXPNRJFPJPDSSF-QFIPXVFZSA-N 2 2 388.515 3.671 20 0 GHADLP CN(C(=O)Nc1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165547299 864682876 /nfs/dbraw/zinc/68/28/76/864682876.db2.gz UHQXLEIGOKDYCU-PMACEKPBSA-N 2 2 376.520 3.627 20 0 GHADLP CN(C(=O)Nc1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165547299 864682880 /nfs/dbraw/zinc/68/28/80/864682880.db2.gz UHQXLEIGOKDYCU-PMACEKPBSA-N 2 2 376.520 3.627 20 0 GHADLP Cc1ccnc(N2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC001168065444 865080397 /nfs/dbraw/zinc/08/03/97/865080397.db2.gz WFRFJVPGNLZKBK-IUTQVRIDSA-N 2 2 378.564 3.954 20 0 GHADLP Cc1ccnc(N2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC001168065444 865080406 /nfs/dbraw/zinc/08/04/06/865080406.db2.gz WFRFJVPGNLZKBK-IUTQVRIDSA-N 2 2 378.564 3.954 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000608206062 865098031 /nfs/dbraw/zinc/09/80/31/865098031.db2.gz QJHGTTAZUYFISR-LJQANCHMSA-N 2 2 380.492 3.569 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171388089 865237201 /nfs/dbraw/zinc/23/72/01/865237201.db2.gz IIRLREYXHYXGPP-INIZCTEOSA-N 2 2 393.959 3.792 20 0 GHADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@@H](N4CC[NH+](CC)CC4)C3)cs2)cc1 ZINC000171527721 865277484 /nfs/dbraw/zinc/27/74/84/865277484.db2.gz NPSBUNFZPBJETM-OAQYLSRUSA-N 2 2 384.593 3.584 20 0 GHADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@@H](N4CC[NH+](CC)CC4)C3)cs2)cc1 ZINC000171527721 865277494 /nfs/dbraw/zinc/27/74/94/865277494.db2.gz NPSBUNFZPBJETM-OAQYLSRUSA-N 2 2 384.593 3.584 20 0 GHADLP CCCc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c2ccccc2[nH+]1 ZINC000301876707 865582397 /nfs/dbraw/zinc/58/23/97/865582397.db2.gz YOJNDCUMLZDGFT-WCRBZPEASA-N 3 2 378.564 3.935 20 0 GHADLP CCCc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc2[nH+]1 ZINC000301876707 865582400 /nfs/dbraw/zinc/58/24/00/865582400.db2.gz YOJNDCUMLZDGFT-WCRBZPEASA-N 3 2 378.564 3.935 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(-c3csc(C)n3)cc2)CC1 ZINC000555241633 865774103 /nfs/dbraw/zinc/77/41/03/865774103.db2.gz OLANYNZGXUCLAR-UHFFFAOYSA-N 2 2 387.549 3.626 20 0 GHADLP COc1cccc2c(NCc3ccccc3C[NH+]3CCC(O)CC3)cc[nH+]c12 ZINC000302529537 865836859 /nfs/dbraw/zinc/83/68/59/865836859.db2.gz KYWHXKDGZOCMOF-UHFFFAOYSA-N 2 2 377.488 3.812 20 0 GHADLP FC(F)(F)c1ccc(Cn2cncc2C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168365501 865848381 /nfs/dbraw/zinc/84/83/81/865848381.db2.gz SNKVUIYTXXESOA-UHFFFAOYSA-N 2 2 392.469 3.914 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000481167700 865910853 /nfs/dbraw/zinc/91/08/53/865910853.db2.gz LTCHJZTZTVEKLB-IHFIDZABSA-N 2 2 391.559 3.853 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000481167700 865910858 /nfs/dbraw/zinc/91/08/58/865910858.db2.gz LTCHJZTZTVEKLB-IHFIDZABSA-N 2 2 391.559 3.853 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000481169785 865914769 /nfs/dbraw/zinc/91/47/69/865914769.db2.gz FWDURAJRVZHVBF-ZPMCFJSWSA-N 2 2 397.950 3.946 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000481169785 865914781 /nfs/dbraw/zinc/91/47/81/865914781.db2.gz FWDURAJRVZHVBF-ZPMCFJSWSA-N 2 2 397.950 3.946 20 0 GHADLP CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481181225 865940955 /nfs/dbraw/zinc/94/09/55/865940955.db2.gz NNASUSRKYPRPFU-YDHSSHFGSA-N 2 2 395.547 3.913 20 0 GHADLP CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481181225 865940963 /nfs/dbraw/zinc/94/09/63/865940963.db2.gz NNASUSRKYPRPFU-YDHSSHFGSA-N 2 2 395.547 3.913 20 0 GHADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481174451 865962270 /nfs/dbraw/zinc/96/22/70/865962270.db2.gz KXMMTZLWDMISHX-LVCYWYKZSA-N 2 2 383.511 3.961 20 0 GHADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481174451 865962278 /nfs/dbraw/zinc/96/22/78/865962278.db2.gz KXMMTZLWDMISHX-LVCYWYKZSA-N 2 2 383.511 3.961 20 0 GHADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000175008231 865963591 /nfs/dbraw/zinc/96/35/91/865963591.db2.gz QZGCFHOXBLDNAH-CVEARBPZSA-N 2 2 377.330 3.802 20 0 GHADLP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481188914 865969716 /nfs/dbraw/zinc/96/97/16/865969716.db2.gz LKLBKNILYYYLEG-BSRJHKFKSA-N 2 2 393.531 3.716 20 0 GHADLP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481188914 865969723 /nfs/dbraw/zinc/96/97/23/865969723.db2.gz LKLBKNILYYYLEG-BSRJHKFKSA-N 2 2 393.531 3.716 20 0 GHADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481194439 865981071 /nfs/dbraw/zinc/98/10/71/865981071.db2.gz VDYCNKFUDGWGHI-KOSHJBKYSA-N 2 2 398.522 3.950 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4cc(N5CCCC5)[nH+]cn4)CC[C@@H]32)cc1 ZINC000302921143 865991162 /nfs/dbraw/zinc/99/11/62/865991162.db2.gz ZXQHWGSAABHBQR-RTWAWAEBSA-N 2 2 377.536 3.568 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H]3CN(c4cc(N5CCCC5)[nH+]cn4)CC[C@@H]32)cc1 ZINC000302921143 865991171 /nfs/dbraw/zinc/99/11/71/865991171.db2.gz ZXQHWGSAABHBQR-RTWAWAEBSA-N 2 2 377.536 3.568 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCc2sccc2C1 ZINC000481209495 866013683 /nfs/dbraw/zinc/01/36/83/866013683.db2.gz ZCGSDQSEWWOBCD-WFXMLNOXSA-N 2 2 397.588 3.522 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCc2sccc2C1 ZINC000481209495 866013700 /nfs/dbraw/zinc/01/37/00/866013700.db2.gz ZCGSDQSEWWOBCD-WFXMLNOXSA-N 2 2 397.588 3.522 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCc2sccc2C1 ZINC000481209492 866013829 /nfs/dbraw/zinc/01/38/29/866013829.db2.gz ZCGSDQSEWWOBCD-BBTUJRGHSA-N 2 2 397.588 3.522 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCc2sccc2C1 ZINC000481209492 866013846 /nfs/dbraw/zinc/01/38/46/866013846.db2.gz ZCGSDQSEWWOBCD-BBTUJRGHSA-N 2 2 397.588 3.522 20 0 GHADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534125430 866158215 /nfs/dbraw/zinc/15/82/15/866158215.db2.gz WIYOKXKQNODGEQ-IBGZPJMESA-N 2 2 392.547 3.785 20 0 GHADLP COC(=O)[C@@H](c1ccccc1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534226599 866340348 /nfs/dbraw/zinc/34/03/48/866340348.db2.gz PGPZGRHUWSZPIO-JOCHJYFZSA-N 2 2 378.516 3.889 20 0 GHADLP COC(=O)[C@@H](c1ccccc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534226599 866340364 /nfs/dbraw/zinc/34/03/64/866340364.db2.gz PGPZGRHUWSZPIO-JOCHJYFZSA-N 2 2 378.516 3.889 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000552902411 866465508 /nfs/dbraw/zinc/46/55/08/866465508.db2.gz BANQWTNLSOEXJC-REWPJTCUSA-N 2 2 379.548 3.678 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000552902411 866465516 /nfs/dbraw/zinc/46/55/16/866465516.db2.gz BANQWTNLSOEXJC-REWPJTCUSA-N 2 2 379.548 3.678 20 0 GHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)c2)CCO1 ZINC000153456663 866489037 /nfs/dbraw/zinc/48/90/37/866489037.db2.gz YGKZGMFACVZSHS-FQEVSTJZSA-N 3 2 385.596 3.794 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)c2)CCO1 ZINC000153456663 866489039 /nfs/dbraw/zinc/48/90/39/866489039.db2.gz YGKZGMFACVZSHS-FQEVSTJZSA-N 3 2 385.596 3.794 20 0 GHADLP C[C@H]1CN(Cc2cccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)c2)CCO1 ZINC000153456663 866489044 /nfs/dbraw/zinc/48/90/44/866489044.db2.gz YGKZGMFACVZSHS-FQEVSTJZSA-N 2 2 385.596 3.794 20 0 GHADLP C[C@@H]1CCCC[C@@H]1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360938 866647506 /nfs/dbraw/zinc/64/75/06/866647506.db2.gz RQBRATWLFCPMEO-WKDRNLAYSA-N 2 2 377.617 3.998 20 0 GHADLP C[C@@H]1CCCC[C@@H]1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360938 866647516 /nfs/dbraw/zinc/64/75/16/866647516.db2.gz RQBRATWLFCPMEO-WKDRNLAYSA-N 2 2 377.617 3.998 20 0 GHADLP C[NH+](C)CC[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C(C)(C)C ZINC000152548677 866647788 /nfs/dbraw/zinc/64/77/88/866647788.db2.gz XEMZGJSDSFXBCZ-ACRUOGEOSA-N 2 2 397.567 3.777 20 0 GHADLP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000183422531 866706564 /nfs/dbraw/zinc/70/65/64/866706564.db2.gz LEPWBQIXRCCWOZ-XMMPIXPASA-N 2 2 390.531 3.598 20 0 GHADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000553092519 866761556 /nfs/dbraw/zinc/76/15/56/866761556.db2.gz HIAWDQYLNKNEID-QUCCMNQESA-N 2 2 382.552 3.949 20 0 GHADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000553092519 866761561 /nfs/dbraw/zinc/76/15/61/866761561.db2.gz HIAWDQYLNKNEID-QUCCMNQESA-N 2 2 382.552 3.949 20 0 GHADLP CCCC[C@@H](CC)CNC(=S)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000741873901 866871646 /nfs/dbraw/zinc/87/16/46/866871646.db2.gz GJQGZBRXEDCKDN-LJQANCHMSA-N 2 2 382.662 3.617 20 0 GHADLP C[NH+](C)CCN(Cc1cccs1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553163155 866928562 /nfs/dbraw/zinc/92/85/62/866928562.db2.gz HFQZMNQRJMQDNA-IBGZPJMESA-N 2 2 382.533 3.584 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000793206275 882033652 /nfs/dbraw/zinc/03/36/52/882033652.db2.gz DMYOODQKFOISQX-QGZVFWFLSA-N 2 2 383.927 3.542 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000793206275 882033671 /nfs/dbraw/zinc/03/36/71/882033671.db2.gz DMYOODQKFOISQX-QGZVFWFLSA-N 2 2 383.927 3.542 20 0 GHADLP c1cn(Cc2ccccc2)c(CC[NH2+]Cc2cnc(-c3ccncc3)s2)[nH+]1 ZINC000553259979 867029451 /nfs/dbraw/zinc/02/94/51/867029451.db2.gz QNVKDXZVWGCHPP-UHFFFAOYSA-N 2 2 375.501 3.782 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000153716974 867041289 /nfs/dbraw/zinc/04/12/89/867041289.db2.gz FTGHLPIUNRRPCP-XLIONFOSSA-N 2 2 382.533 3.658 20 0 GHADLP C[C@H](Cc1cccc(Cl)c1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000153784006 867076929 /nfs/dbraw/zinc/07/69/29/867076929.db2.gz JYVALSSPQYXNAF-GOSISDBHSA-N 2 2 391.987 3.585 20 0 GHADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(-c3ccc(Cl)c(Cl)c3)s2)CC1 ZINC000620758012 867252599 /nfs/dbraw/zinc/25/25/99/867252599.db2.gz HPJJZYXORNWQHT-UHFFFAOYSA-N 2 2 398.359 3.586 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000742378750 867270999 /nfs/dbraw/zinc/27/09/99/867270999.db2.gz XWLOZTRHXYRURR-UHFFFAOYSA-N 2 2 375.520 3.697 20 0 GHADLP Cc1cn2cc(NC(=O)N3CC[N@H+](Cc4ccccc4)C(C)(C)C3)ccc2[nH+]1 ZINC000523422521 867295476 /nfs/dbraw/zinc/29/54/76/867295476.db2.gz QAJCKGZXVZOZGN-UHFFFAOYSA-N 2 2 377.492 3.771 20 0 GHADLP Cc1cn2cc(NC(=O)N3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)ccc2[nH+]1 ZINC000523422521 867295490 /nfs/dbraw/zinc/29/54/90/867295490.db2.gz QAJCKGZXVZOZGN-UHFFFAOYSA-N 2 2 377.492 3.771 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000154535330 867451975 /nfs/dbraw/zinc/45/19/75/867451975.db2.gz GOAGVCXRSJUXMJ-RDJZCZTQSA-N 2 2 392.594 3.501 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000553504414 867547812 /nfs/dbraw/zinc/54/78/12/867547812.db2.gz LQIOUSTWGRBPGS-QPPBQGQZSA-N 2 2 391.559 3.774 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H](c4ccccc4)CC3)CC2)CC1 ZINC000171323044 882099015 /nfs/dbraw/zinc/09/90/15/882099015.db2.gz SLYTWVCMEJMIAQ-NRFANRHFSA-N 2 2 398.595 3.524 20 0 GHADLP c1nn(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c2ccc(OCc3ccccc3)cc12 ZINC000743350440 868102946 /nfs/dbraw/zinc/10/29/46/868102946.db2.gz ZYCBLLRFPKSFLP-UHFFFAOYSA-N 2 2 399.498 3.790 20 0 GHADLP C[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000155944286 868193328 /nfs/dbraw/zinc/19/33/28/868193328.db2.gz OKELUYPXYOGQIR-IRXDYDNUSA-N 2 2 377.960 3.655 20 0 GHADLP C[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000155944286 868193342 /nfs/dbraw/zinc/19/33/42/868193342.db2.gz OKELUYPXYOGQIR-IRXDYDNUSA-N 2 2 377.960 3.655 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000523880113 868225548 /nfs/dbraw/zinc/22/55/48/868225548.db2.gz QQDIUWGSUZDBFA-DHIUTWEWSA-N 2 2 398.595 3.571 20 0 GHADLP c1ccc(-c2nnc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)s2)cc1 ZINC000156110378 868256132 /nfs/dbraw/zinc/25/61/32/868256132.db2.gz QJAJNLPYNJCUKA-UHFFFAOYSA-N 2 2 386.565 3.530 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CCCC1)c1ccccc1 ZINC000535178763 868327963 /nfs/dbraw/zinc/32/79/63/868327963.db2.gz MCXNLSQEVTZGBJ-UYAOXDASSA-N 2 2 395.551 3.583 20 0 GHADLP CCC[N@H+](C)[C@@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(Cl)cc1 ZINC000553897916 868413122 /nfs/dbraw/zinc/41/31/22/868413122.db2.gz YVBBRYQEMVAAQB-IBGZPJMESA-N 2 2 399.926 3.870 20 0 GHADLP CCC[N@@H+](C)[C@@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(Cl)cc1 ZINC000553897916 868413127 /nfs/dbraw/zinc/41/31/27/868413127.db2.gz YVBBRYQEMVAAQB-IBGZPJMESA-N 2 2 399.926 3.870 20 0 GHADLP Fc1ccc([C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c2cnn[nH]2)cc1 ZINC000671105682 868510840 /nfs/dbraw/zinc/51/08/40/868510840.db2.gz TXHGMKIGKMVIFQ-JOCHJYFZSA-N 2 2 379.483 3.535 20 0 GHADLP Fc1ccc([C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c2cn[nH]n2)cc1 ZINC000671105682 868510848 /nfs/dbraw/zinc/51/08/48/868510848.db2.gz TXHGMKIGKMVIFQ-JOCHJYFZSA-N 2 2 379.483 3.535 20 0 GHADLP CC[C@H](C)[C@H]([NH2+]C1CC[NH+](C)CC1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000157166865 868579349 /nfs/dbraw/zinc/57/93/49/868579349.db2.gz ULBJLYGTRUGJCR-CVDCTZTESA-N 2 2 385.596 3.566 20 0 GHADLP COc1cc(F)c([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1OC ZINC000479891693 868690435 /nfs/dbraw/zinc/69/04/35/868690435.db2.gz QPLBULQPQIUOGR-MRXNPFEDSA-N 2 2 388.483 3.526 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000157676643 868729952 /nfs/dbraw/zinc/72/99/52/868729952.db2.gz APKLXHUQCVEVRW-LJQANCHMSA-N 2 2 380.536 3.989 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000157676643 868729960 /nfs/dbraw/zinc/72/99/60/868729960.db2.gz APKLXHUQCVEVRW-LJQANCHMSA-N 2 2 380.536 3.989 20 0 GHADLP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)oc21 ZINC000539496945 869248373 /nfs/dbraw/zinc/24/83/73/869248373.db2.gz WJJLXFUIDJJUQD-DZFGPLHGSA-N 2 2 394.515 3.975 20 0 GHADLP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)oc21 ZINC000539496945 869248378 /nfs/dbraw/zinc/24/83/78/869248378.db2.gz WJJLXFUIDJJUQD-DZFGPLHGSA-N 2 2 394.515 3.975 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)ccc1-n1cncn1 ZINC000462367202 869296958 /nfs/dbraw/zinc/29/69/58/869296958.db2.gz ZEAFZGCQMBVMGR-DEOSSOPVSA-N 2 2 389.547 3.748 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)ccc1-n1cncn1 ZINC000462367202 869296972 /nfs/dbraw/zinc/29/69/72/869296972.db2.gz ZEAFZGCQMBVMGR-DEOSSOPVSA-N 2 2 389.547 3.748 20 0 GHADLP Cc1cccnc1[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)C ZINC000121934666 882322610 /nfs/dbraw/zinc/32/26/10/882322610.db2.gz WWZXFMNLGLQHIT-REWPJTCUSA-N 2 2 394.563 3.582 20 0 GHADLP COc1cccc([C@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)[NH+](C)C)c1 ZINC000133665890 882325585 /nfs/dbraw/zinc/32/55/85/882325585.db2.gz PLCDKVPHSBCBRI-DEOSSOPVSA-N 2 2 399.554 3.734 20 0 GHADLP COc1cccc([C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)N(C)C)c1 ZINC000133665890 882325602 /nfs/dbraw/zinc/32/56/02/882325602.db2.gz PLCDKVPHSBCBRI-DEOSSOPVSA-N 2 2 399.554 3.734 20 0 GHADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000462633141 869801964 /nfs/dbraw/zinc/80/19/64/869801964.db2.gz SFFQCVUOFXQHBW-QMMLZNLJSA-N 2 2 383.540 3.531 20 0 GHADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000462633141 869801965 /nfs/dbraw/zinc/80/19/65/869801965.db2.gz SFFQCVUOFXQHBW-QMMLZNLJSA-N 2 2 383.540 3.531 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc3ccccc3n2)CC1 ZINC000539950566 870075517 /nfs/dbraw/zinc/07/55/17/870075517.db2.gz OYFZWYQHQYNJQX-UHFFFAOYSA-N 2 2 380.923 3.930 20 0 GHADLP Brc1cc2c(c(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c1)OCC2 ZINC000462795460 870098497 /nfs/dbraw/zinc/09/84/97/870098497.db2.gz SQLHHVCNWQCYCU-HNAYVOBHSA-N 2 2 391.353 3.833 20 0 GHADLP Brc1cc2c(c(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c1)OCC2 ZINC000462795460 870098504 /nfs/dbraw/zinc/09/85/04/870098504.db2.gz SQLHHVCNWQCYCU-HNAYVOBHSA-N 2 2 391.353 3.833 20 0 GHADLP Brc1cc2c(c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c1)OCC2 ZINC000462795460 870098512 /nfs/dbraw/zinc/09/85/12/870098512.db2.gz SQLHHVCNWQCYCU-HNAYVOBHSA-N 2 2 391.353 3.833 20 0 GHADLP Brc1cc2c(c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c1)OCC2 ZINC000462795460 870098519 /nfs/dbraw/zinc/09/85/19/870098519.db2.gz SQLHHVCNWQCYCU-HNAYVOBHSA-N 2 2 391.353 3.833 20 0 GHADLP O=C(CCc1c[nH]c[nH+]1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000188795722 870281457 /nfs/dbraw/zinc/28/14/57/870281457.db2.gz JIMAMBSDVQUGLL-UHFFFAOYSA-N 2 2 395.334 3.774 20 0 GHADLP O=C(CCc1c[nH+]c[nH]1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000188795722 870281477 /nfs/dbraw/zinc/28/14/77/870281477.db2.gz JIMAMBSDVQUGLL-UHFFFAOYSA-N 2 2 395.334 3.774 20 0 GHADLP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000418335258 882414682 /nfs/dbraw/zinc/41/46/82/882414682.db2.gz VFMDOOASMCLMMT-QFIPXVFZSA-N 2 2 397.567 3.908 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000540152857 870634199 /nfs/dbraw/zinc/63/41/99/870634199.db2.gz SOSONEULPQPMBB-IRXDYDNUSA-N 2 2 396.535 3.925 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3ccccc3n2C(F)F)[C@@H](C)C1 ZINC000248955561 870701424 /nfs/dbraw/zinc/70/14/24/870701424.db2.gz FTZJYTDHCPWKCQ-JKSUJKDBSA-N 2 2 380.483 3.658 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc3ccccc3n2C(F)F)[C@@H](C)C1 ZINC000248955561 870701429 /nfs/dbraw/zinc/70/14/29/870701429.db2.gz FTZJYTDHCPWKCQ-JKSUJKDBSA-N 2 2 380.483 3.658 20 0 GHADLP CC[N@H+](CCC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1)CC1CC1 ZINC000538916238 870874452 /nfs/dbraw/zinc/87/44/52/870874452.db2.gz LXINAXFQOQUMER-UHFFFAOYSA-N 2 2 380.536 3.847 20 0 GHADLP CC[N@@H+](CCC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1)CC1CC1 ZINC000538916238 870874460 /nfs/dbraw/zinc/87/44/60/870874460.db2.gz LXINAXFQOQUMER-UHFFFAOYSA-N 2 2 380.536 3.847 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1Cc3ccccc3C[C@H]1CNC(=O)OC(C)(C)C)C2 ZINC001169161738 871274137 /nfs/dbraw/zinc/27/41/37/871274137.db2.gz QJMLBGFQCIYJJW-WOZUAGRISA-N 2 2 385.552 3.563 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1Cc3ccccc3C[C@H]1CNC(=O)OC(C)(C)C)C2 ZINC001169161738 871274152 /nfs/dbraw/zinc/27/41/52/871274152.db2.gz QJMLBGFQCIYJJW-WOZUAGRISA-N 2 2 385.552 3.563 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1Cc3ccccc3C[C@H]1CNC(=O)OC(C)(C)C)C2 ZINC001169161738 871274163 /nfs/dbraw/zinc/27/41/63/871274163.db2.gz QJMLBGFQCIYJJW-WOZUAGRISA-N 2 2 385.552 3.563 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1Cc3ccccc3C[C@H]1CNC(=O)OC(C)(C)C)C2 ZINC001169161738 871274191 /nfs/dbraw/zinc/27/41/91/871274191.db2.gz QJMLBGFQCIYJJW-WOZUAGRISA-N 2 2 385.552 3.563 20 0 GHADLP CC(C)[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000539092770 871294088 /nfs/dbraw/zinc/29/40/88/871294088.db2.gz GXRRKRZKJIFMKZ-OAQYLSRUSA-N 2 2 384.593 3.784 20 0 GHADLP CC(C)[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000539092770 871294105 /nfs/dbraw/zinc/29/41/05/871294105.db2.gz GXRRKRZKJIFMKZ-OAQYLSRUSA-N 2 2 384.593 3.784 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000428477848 871330274 /nfs/dbraw/zinc/33/02/74/871330274.db2.gz FPIHVIMNJLNCNH-FPOVZHCZSA-N 2 2 397.567 3.703 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000428477848 871330297 /nfs/dbraw/zinc/33/02/97/871330297.db2.gz FPIHVIMNJLNCNH-FPOVZHCZSA-N 2 2 397.567 3.703 20 0 GHADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(c3cccc(Cl)c3Cl)CC2)CC1 ZINC000463376844 871587255 /nfs/dbraw/zinc/58/72/55/871587255.db2.gz LTQWKGDZBIQUON-UHFFFAOYSA-N 2 2 398.378 3.773 20 0 GHADLP Cc1cc(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)ccc1[NH+](C)C ZINC001169519501 871591749 /nfs/dbraw/zinc/59/17/49/871591749.db2.gz KGXSWTGSYJOERB-UGKGYDQZSA-N 2 2 381.520 3.932 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000447535283 871799327 /nfs/dbraw/zinc/79/93/27/871799327.db2.gz DZEXAXRNOJVJAT-XZOQPEGZSA-N 2 2 397.538 3.642 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000447535283 871799341 /nfs/dbraw/zinc/79/93/41/871799341.db2.gz DZEXAXRNOJVJAT-XZOQPEGZSA-N 2 2 397.538 3.642 20 0 GHADLP O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001169753058 871822812 /nfs/dbraw/zinc/82/28/12/871822812.db2.gz XZKSJDUNNVVDDN-PKTZIBPZSA-N 2 2 377.532 3.545 20 0 GHADLP O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC001169753058 871822833 /nfs/dbraw/zinc/82/28/33/871822833.db2.gz XZKSJDUNNVVDDN-PKTZIBPZSA-N 2 2 377.532 3.545 20 0 GHADLP CCCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[C@H](C)C1 ZINC001194715453 871913263 /nfs/dbraw/zinc/91/32/63/871913263.db2.gz ORGAUQKKAZXJCD-SFTDATJTSA-N 2 2 386.584 3.801 20 0 GHADLP CCCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[C@H](C)C1 ZINC001194715453 871913272 /nfs/dbraw/zinc/91/32/72/871913272.db2.gz ORGAUQKKAZXJCD-SFTDATJTSA-N 2 2 386.584 3.801 20 0 GHADLP Cc1cc(C)n2c(C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cnc2n1 ZINC000093318306 872067116 /nfs/dbraw/zinc/06/71/16/872067116.db2.gz SBWLLCIJQTVMKP-WIYYLYMNSA-N 2 2 377.536 3.831 20 0 GHADLP Cc1cc(C)n2c(C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cnc2n1 ZINC000093318306 872067143 /nfs/dbraw/zinc/06/71/43/872067143.db2.gz SBWLLCIJQTVMKP-WIYYLYMNSA-N 2 2 377.536 3.831 20 0 GHADLP Cc1cc(C)n2c(C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cnc2n1 ZINC000093318306 872067156 /nfs/dbraw/zinc/06/71/56/872067156.db2.gz SBWLLCIJQTVMKP-WIYYLYMNSA-N 2 2 377.536 3.831 20 0 GHADLP Cc1cc(C)n2c(C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cnc2n1 ZINC000093318306 872067183 /nfs/dbraw/zinc/06/71/83/872067183.db2.gz SBWLLCIJQTVMKP-WIYYLYMNSA-N 2 2 377.536 3.831 20 0 GHADLP CC[N@@H+](Cc1ccc(N2CCCC2)nc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564659 872273241 /nfs/dbraw/zinc/27/32/41/872273241.db2.gz ZZEUPZLTBHWFHX-UHFFFAOYSA-N 2 2 379.552 3.815 20 0 GHADLP CC[N@H+](Cc1ccc(N2CCCC2)nc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564659 872273261 /nfs/dbraw/zinc/27/32/61/872273261.db2.gz ZZEUPZLTBHWFHX-UHFFFAOYSA-N 2 2 379.552 3.815 20 0 GHADLP COc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(OCc2cccnc2)c1 ZINC000447794429 872273268 /nfs/dbraw/zinc/27/32/68/872273268.db2.gz DPFIUWJTZXDMMT-UHFFFAOYSA-N 2 2 383.536 3.974 20 0 GHADLP COc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c(OCc2cccnc2)c1 ZINC000447794429 872273290 /nfs/dbraw/zinc/27/32/90/872273290.db2.gz DPFIUWJTZXDMMT-UHFFFAOYSA-N 2 2 383.536 3.974 20 0 GHADLP C[NH+]1CCN(CCCC[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000540920924 872509729 /nfs/dbraw/zinc/50/97/29/872509729.db2.gz QNGOZFWBWCLDBV-HSZRJFAPSA-N 2 2 378.520 3.534 20 0 GHADLP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccco1 ZINC000478231388 872696284 /nfs/dbraw/zinc/69/62/84/872696284.db2.gz KORZGAFBJRAWFC-IEBWSBKVSA-N 2 2 399.539 3.594 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3F)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000552567940 872863229 /nfs/dbraw/zinc/86/32/29/872863229.db2.gz FSOMTMGAUMOIBG-QFUCXCTJSA-N 2 2 381.495 3.574 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3F)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000552567940 872863248 /nfs/dbraw/zinc/86/32/48/872863248.db2.gz FSOMTMGAUMOIBG-QFUCXCTJSA-N 2 2 381.495 3.574 20 0 GHADLP CC(C)[NH+](Cc1cccnc1)CC1(C[N@@H+](Cc2cccnc2)C(C)C)COC1 ZINC000541120118 872992883 /nfs/dbraw/zinc/99/28/83/872992883.db2.gz QXWDDLWZPIZDDM-UHFFFAOYSA-N 2 2 382.552 3.614 20 0 GHADLP CC(C)[NH+](Cc1cccnc1)CC1(C[N@H+](Cc2cccnc2)C(C)C)COC1 ZINC000541120118 872992897 /nfs/dbraw/zinc/99/28/97/872992897.db2.gz QXWDDLWZPIZDDM-UHFFFAOYSA-N 2 2 382.552 3.614 20 0 GHADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2ncc3ccc(OCc4ccccc4)cc32)C1 ZINC000768499985 873340287 /nfs/dbraw/zinc/34/02/87/873340287.db2.gz ODTQMKASWHWQFE-GGAORHGYSA-N 2 2 390.531 3.989 20 0 GHADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2ncc3ccc(OCc4ccccc4)cc32)C1 ZINC000768499985 873340295 /nfs/dbraw/zinc/34/02/95/873340295.db2.gz ODTQMKASWHWQFE-GGAORHGYSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cn2ncc3ccc(OCc4ccccc4)cc32)C1 ZINC000768499985 873340306 /nfs/dbraw/zinc/34/03/06/873340306.db2.gz ODTQMKASWHWQFE-GGAORHGYSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cn2ncc3ccc(OCc4ccccc4)cc32)C1 ZINC000768499985 873340316 /nfs/dbraw/zinc/34/03/16/873340316.db2.gz ODTQMKASWHWQFE-GGAORHGYSA-N 2 2 390.531 3.989 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](C[NH+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)c1ccccc1 ZINC001196869684 873446053 /nfs/dbraw/zinc/44/60/53/873446053.db2.gz PLZFSUPCWSDHBT-DFIMXKNXSA-N 2 2 396.600 3.888 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)c1ccccc1 ZINC001196869684 873446059 /nfs/dbraw/zinc/44/60/59/873446059.db2.gz PLZFSUPCWSDHBT-DFIMXKNXSA-N 2 2 396.600 3.888 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)c1ccccc1 ZINC001196869684 873446061 /nfs/dbraw/zinc/44/60/61/873446061.db2.gz PLZFSUPCWSDHBT-DFIMXKNXSA-N 2 2 396.600 3.888 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)c1ccccc1 ZINC001196869684 873446065 /nfs/dbraw/zinc/44/60/65/873446065.db2.gz PLZFSUPCWSDHBT-DFIMXKNXSA-N 2 2 396.600 3.888 20 0 GHADLP CCc1noc(-c2ccc(CC[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)cc2)n1 ZINC000541389864 873462964 /nfs/dbraw/zinc/46/29/64/873462964.db2.gz NMROXCAIHGSHGI-UHFFFAOYSA-N 2 2 379.489 3.879 20 0 GHADLP CC(C)Oc1cc(Cl)c(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1Cl ZINC000527725844 873501869 /nfs/dbraw/zinc/50/18/69/873501869.db2.gz AFYXPKDVERBFHJ-UHFFFAOYSA-N 2 2 388.383 3.850 20 0 GHADLP CC(C)Oc1cc(Cl)c(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1Cl ZINC000527725844 873501882 /nfs/dbraw/zinc/50/18/82/873501882.db2.gz AFYXPKDVERBFHJ-UHFFFAOYSA-N 2 2 388.383 3.850 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3CCC[NH+]3Cc3ccccc3)sc2C1 ZINC000541460949 873605555 /nfs/dbraw/zinc/60/55/55/873605555.db2.gz ANQXGWCIKTZKSL-GOSISDBHSA-N 2 2 384.549 3.513 20 0 GHADLP CC(C)[N@H+]1CCc2nc(NC(=O)[C@H]3CCC[NH+]3Cc3ccccc3)sc2C1 ZINC000541460949 873605563 /nfs/dbraw/zinc/60/55/63/873605563.db2.gz ANQXGWCIKTZKSL-GOSISDBHSA-N 2 2 384.549 3.513 20 0 GHADLP CC(C)[NH+]1CCc2nc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)sc2C1 ZINC000541460949 873605567 /nfs/dbraw/zinc/60/55/67/873605567.db2.gz ANQXGWCIKTZKSL-GOSISDBHSA-N 2 2 384.549 3.513 20 0 GHADLP CC(C)[NH+]1CCc2nc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)sc2C1 ZINC000541460949 873605571 /nfs/dbraw/zinc/60/55/71/873605571.db2.gz ANQXGWCIKTZKSL-GOSISDBHSA-N 2 2 384.549 3.513 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc(-c2ccccc2)n(C)n1 ZINC000527879008 873741727 /nfs/dbraw/zinc/74/17/27/873741727.db2.gz CQZFBBPFPYWZKH-FXAWDEMLSA-N 2 2 390.535 3.796 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000122901757 882757695 /nfs/dbraw/zinc/75/76/95/882757695.db2.gz ZBSSWZDGGZXQIE-RXVVDRJESA-N 2 2 395.547 3.631 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000122901757 882757700 /nfs/dbraw/zinc/75/77/00/882757700.db2.gz ZBSSWZDGGZXQIE-RXVVDRJESA-N 2 2 395.547 3.631 20 0 GHADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000527946744 873791246 /nfs/dbraw/zinc/79/12/46/873791246.db2.gz IOSHWXQEQSOICW-FPOVZHCZSA-N 2 2 387.568 3.601 20 0 GHADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000527946744 873791252 /nfs/dbraw/zinc/79/12/52/873791252.db2.gz IOSHWXQEQSOICW-FPOVZHCZSA-N 2 2 387.568 3.601 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1C ZINC000508875247 873816213 /nfs/dbraw/zinc/81/62/13/873816213.db2.gz BRVQHVKLBZCSMB-WIYYLYMNSA-N 2 2 398.551 3.848 20 0 GHADLP COc1ccc(C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H](CO)C(C)C)cc1 ZINC000541556726 873863063 /nfs/dbraw/zinc/86/30/63/873863063.db2.gz QZFRPAZIACXXGG-OAQYLSRUSA-N 2 2 385.533 3.962 20 0 GHADLP COc1ccc(C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H](CO)C(C)C)cc1 ZINC000541556726 873863078 /nfs/dbraw/zinc/86/30/78/873863078.db2.gz QZFRPAZIACXXGG-OAQYLSRUSA-N 2 2 385.533 3.962 20 0 GHADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(OCc4ccccc4F)cc3)CC2)C1 ZINC000769381228 874009540 /nfs/dbraw/zinc/00/95/40/874009540.db2.gz MSSVFGDCMNIXKB-JOCHJYFZSA-N 2 2 397.538 3.617 20 0 GHADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(OCc4ccccc4F)cc3)CC2)C1 ZINC000769381228 874009559 /nfs/dbraw/zinc/00/95/59/874009559.db2.gz MSSVFGDCMNIXKB-JOCHJYFZSA-N 2 2 397.538 3.617 20 0 GHADLP C[C@H]1CN(C(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)Cc2ccccc21 ZINC001198017198 874166268 /nfs/dbraw/zinc/16/62/68/874166268.db2.gz HRVSAPZCSABXQM-IBGZPJMESA-N 2 2 379.548 3.830 20 0 GHADLP C[C@H]1CN(C(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)Cc2ccccc21 ZINC001198017198 874166275 /nfs/dbraw/zinc/16/62/75/874166275.db2.gz HRVSAPZCSABXQM-IBGZPJMESA-N 2 2 379.548 3.830 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccc3ccncc3c2)cc1 ZINC001198021500 874184001 /nfs/dbraw/zinc/18/40/01/874184001.db2.gz KPGGLFRHICCESY-UHFFFAOYSA-N 2 2 376.504 3.871 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccc3ccncc3c2)cc1 ZINC001198021500 874184005 /nfs/dbraw/zinc/18/40/05/874184005.db2.gz KPGGLFRHICCESY-UHFFFAOYSA-N 2 2 376.504 3.871 20 0 GHADLP O[C@H](C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)C[N@@H+]1CCc2ccccc2C1 ZINC000550898004 882803054 /nfs/dbraw/zinc/80/30/54/882803054.db2.gz OFXSPKRVKYTOPN-AUSIDOKSSA-N 2 2 375.516 3.554 20 0 GHADLP O[C@H](C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)C[N@H+]1CCc2ccccc2C1 ZINC000550898004 882803064 /nfs/dbraw/zinc/80/30/64/882803064.db2.gz OFXSPKRVKYTOPN-AUSIDOKSSA-N 2 2 375.516 3.554 20 0 GHADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)NC(=O)OC(C)(C)C ZINC000769696866 874238601 /nfs/dbraw/zinc/23/86/01/874238601.db2.gz PNDLTFNVLBUDHL-HUUCEWRRSA-N 2 2 376.476 3.793 20 0 GHADLP Fc1c(Br)cccc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000449059136 874395160 /nfs/dbraw/zinc/39/51/60/874395160.db2.gz ANHLALQWFTXQDA-UHFFFAOYSA-N 2 2 393.300 3.710 20 0 GHADLP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528372633 874469311 /nfs/dbraw/zinc/46/93/11/874469311.db2.gz PRNDCWWXHQRCCJ-IBGZPJMESA-N 2 2 381.867 3.524 20 0 GHADLP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528372633 874469315 /nfs/dbraw/zinc/46/93/15/874469315.db2.gz PRNDCWWXHQRCCJ-IBGZPJMESA-N 2 2 381.867 3.524 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449111833 874522174 /nfs/dbraw/zinc/52/21/74/874522174.db2.gz OIHHWIAZGYEMFH-RLLQIKCJSA-N 2 2 377.960 3.508 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449111833 874522179 /nfs/dbraw/zinc/52/21/79/874522179.db2.gz OIHHWIAZGYEMFH-RLLQIKCJSA-N 2 2 377.960 3.508 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809504 874532341 /nfs/dbraw/zinc/53/23/41/874532341.db2.gz ZZIJEWPTHQALPD-UHFFFAOYSA-N 2 2 394.563 3.669 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809504 874532343 /nfs/dbraw/zinc/53/23/43/874532343.db2.gz ZZIJEWPTHQALPD-UHFFFAOYSA-N 2 2 394.563 3.669 20 0 GHADLP C[NH+](C)[C@@]1(C[NH2+]Cc2ccnc3c(Br)cccc23)CCSC1 ZINC000449171467 874549250 /nfs/dbraw/zinc/54/92/50/874549250.db2.gz AIBYIPCKCKRCAY-QGZVFWFLSA-N 2 2 380.355 3.524 20 0 GHADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2C(F)(F)F)CC1 ZINC000449202915 874599981 /nfs/dbraw/zinc/59/99/81/874599981.db2.gz KUZCQZJSUTYCGN-HNNXBMFYSA-N 2 2 380.458 3.624 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cc1 ZINC000449217924 874607781 /nfs/dbraw/zinc/60/77/81/874607781.db2.gz CUPKIBSMKIIVNV-LJQANCHMSA-N 2 2 395.547 3.709 20 0 GHADLP COC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198791263 874619933 /nfs/dbraw/zinc/61/99/33/874619933.db2.gz UODIESANJYZKOW-KRWDZBQOSA-N 2 2 385.508 3.683 20 0 GHADLP COC(=O)c1ccccc1OCC[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198791263 874619935 /nfs/dbraw/zinc/61/99/35/874619935.db2.gz UODIESANJYZKOW-KRWDZBQOSA-N 2 2 385.508 3.683 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)cn1 ZINC000858101801 882846778 /nfs/dbraw/zinc/84/67/78/882846778.db2.gz GAQFRNOHBQRZEV-UHFFFAOYSA-N 2 2 394.372 3.946 20 0 GHADLP COc1cccc(COc2ccc(C[NH2+]C[C@H]3C[N@H+](CC(C)C)CCO3)cc2)c1 ZINC001198901452 874683991 /nfs/dbraw/zinc/68/39/91/874683991.db2.gz UHTRBKORPWNCMW-DEOSSOPVSA-N 2 2 398.547 3.721 20 0 GHADLP COc1cccc(COc2ccc(C[NH2+]C[C@H]3C[N@@H+](CC(C)C)CCO3)cc2)c1 ZINC001198901452 874683997 /nfs/dbraw/zinc/68/39/97/874683997.db2.gz UHTRBKORPWNCMW-DEOSSOPVSA-N 2 2 398.547 3.721 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 ZINC000449454165 874878868 /nfs/dbraw/zinc/87/88/68/874878868.db2.gz YKIZLIOOITVZLL-FQEVSTJZSA-N 2 2 382.907 3.937 20 0 GHADLP COCc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1 ZINC000449526582 875004412 /nfs/dbraw/zinc/00/44/12/875004412.db2.gz WNIJJDIWEAXMCM-UHFFFAOYSA-N 2 2 381.520 3.546 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000161200514 875205439 /nfs/dbraw/zinc/20/54/39/875205439.db2.gz SFJKEDMDMMHMGH-CYBMUJFWSA-N 2 2 393.285 3.546 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000161200514 875205452 /nfs/dbraw/zinc/20/54/52/875205452.db2.gz SFJKEDMDMMHMGH-CYBMUJFWSA-N 2 2 393.285 3.546 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000528906881 875248385 /nfs/dbraw/zinc/24/83/85/875248385.db2.gz MKMAPHABBFOWIW-YPAWHYETSA-N 2 2 394.563 3.530 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000528906881 875248395 /nfs/dbraw/zinc/24/83/95/875248395.db2.gz MKMAPHABBFOWIW-YPAWHYETSA-N 2 2 394.563 3.530 20 0 GHADLP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000776123611 875390899 /nfs/dbraw/zinc/39/08/99/875390899.db2.gz VUFJKTCLZWCDGH-UHFFFAOYSA-N 2 2 383.540 3.716 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(Br)c1 ZINC000776155803 875630777 /nfs/dbraw/zinc/63/07/77/875630777.db2.gz ISKNKXDHESPYEW-WMLDXEAASA-N 2 2 397.357 3.752 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C12CCC2 ZINC000858227968 882959119 /nfs/dbraw/zinc/95/91/19/882959119.db2.gz SQOYULDFGQWEGA-KRWDZBQOSA-N 2 2 388.537 3.956 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)CC[C@H]21 ZINC000529535898 876304254 /nfs/dbraw/zinc/30/42/54/876304254.db2.gz IMNYYJVODKMKNC-GXTWGEPZSA-N 2 2 395.370 3.817 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)CC[C@H]21 ZINC000529535898 876304270 /nfs/dbraw/zinc/30/42/70/876304270.db2.gz IMNYYJVODKMKNC-GXTWGEPZSA-N 2 2 395.370 3.817 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(Br)s3)CC[C@H]21 ZINC000529535898 876304283 /nfs/dbraw/zinc/30/42/83/876304283.db2.gz IMNYYJVODKMKNC-GXTWGEPZSA-N 2 2 395.370 3.817 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(Br)s3)CC[C@H]21 ZINC000529535898 876304296 /nfs/dbraw/zinc/30/42/96/876304296.db2.gz IMNYYJVODKMKNC-GXTWGEPZSA-N 2 2 395.370 3.817 20 0 GHADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000786581738 876770247 /nfs/dbraw/zinc/77/02/47/876770247.db2.gz VPWXHYSDNXZOHG-BEFAXECRSA-N 2 2 381.358 3.991 20 0 GHADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000786581738 876770255 /nfs/dbraw/zinc/77/02/55/876770255.db2.gz VPWXHYSDNXZOHG-BEFAXECRSA-N 2 2 381.358 3.991 20 0 GHADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H](C)CC(C)(C)CC(=O)OC ZINC000850451637 876934711 /nfs/dbraw/zinc/93/47/11/876934711.db2.gz DVXJIYWMSSZXJC-KRWDZBQOSA-N 2 2 391.556 3.617 20 0 GHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134877550 883086072 /nfs/dbraw/zinc/08/60/72/883086072.db2.gz ZRFUZNJENHLAMG-DRSNIGMVSA-N 2 2 378.520 3.511 20 0 GHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134877550 883086086 /nfs/dbraw/zinc/08/60/86/883086086.db2.gz ZRFUZNJENHLAMG-DRSNIGMVSA-N 2 2 378.520 3.511 20 0 GHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134877550 883086100 /nfs/dbraw/zinc/08/61/00/883086100.db2.gz ZRFUZNJENHLAMG-DRSNIGMVSA-N 2 2 378.520 3.511 20 0 GHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134877550 883086114 /nfs/dbraw/zinc/08/61/14/883086114.db2.gz ZRFUZNJENHLAMG-DRSNIGMVSA-N 2 2 378.520 3.511 20 0 GHADLP CC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395248 877006294 /nfs/dbraw/zinc/00/62/94/877006294.db2.gz QDBKZOCRVWAACE-VXKWHMMOSA-N 2 2 398.595 3.801 20 0 GHADLP CC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395248 877006307 /nfs/dbraw/zinc/00/63/07/877006307.db2.gz QDBKZOCRVWAACE-VXKWHMMOSA-N 2 2 398.595 3.801 20 0 GHADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2ncnn2-c2ccccc2)ccc1OC ZINC000786943049 877068351 /nfs/dbraw/zinc/06/83/51/877068351.db2.gz ZJSPGOLQBVJZNG-SFHVURJKSA-N 2 2 393.535 3.969 20 0 GHADLP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000451285745 877721011 /nfs/dbraw/zinc/72/10/11/877721011.db2.gz MGATXEIYJCDBMN-OAQYLSRUSA-N 2 2 384.568 3.723 20 0 GHADLP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000451285745 877721018 /nfs/dbraw/zinc/72/10/18/877721018.db2.gz MGATXEIYJCDBMN-OAQYLSRUSA-N 2 2 384.568 3.723 20 0 GHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@H]2COC(C)(C)O2)CC1 ZINC000851862611 877945222 /nfs/dbraw/zinc/94/52/22/877945222.db2.gz CCFWWXRKIDWTFR-SFHVURJKSA-N 2 2 386.458 3.753 20 0 GHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@H]2COC(C)(C)O2)CC1 ZINC000851862611 877945229 /nfs/dbraw/zinc/94/52/29/877945229.db2.gz CCFWWXRKIDWTFR-SFHVURJKSA-N 2 2 386.458 3.753 20 0 GHADLP O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000788251926 877957263 /nfs/dbraw/zinc/95/72/63/877957263.db2.gz ZGZKEOPZZYWJPJ-LAUBAEHRSA-N 2 2 384.568 3.838 20 0 GHADLP O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000788251926 877957273 /nfs/dbraw/zinc/95/72/73/877957273.db2.gz ZGZKEOPZZYWJPJ-LAUBAEHRSA-N 2 2 384.568 3.838 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000176034528 878047850 /nfs/dbraw/zinc/04/78/50/878047850.db2.gz GTSBEMLLWVAJTN-SVFBPWRDSA-N 2 2 399.579 3.889 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000176034528 878047874 /nfs/dbraw/zinc/04/78/74/878047874.db2.gz GTSBEMLLWVAJTN-SVFBPWRDSA-N 2 2 399.579 3.889 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000176034528 878047893 /nfs/dbraw/zinc/04/78/93/878047893.db2.gz GTSBEMLLWVAJTN-SVFBPWRDSA-N 2 2 399.579 3.889 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000176034528 878047915 /nfs/dbraw/zinc/04/79/15/878047915.db2.gz GTSBEMLLWVAJTN-SVFBPWRDSA-N 2 2 399.579 3.889 20 0 GHADLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000245588972 878159429 /nfs/dbraw/zinc/15/94/29/878159429.db2.gz KHZPXFSRKGYTTP-JLSDUUJJSA-N 2 2 392.425 3.590 20 0 GHADLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000245588972 878159433 /nfs/dbraw/zinc/15/94/33/878159433.db2.gz KHZPXFSRKGYTTP-JLSDUUJJSA-N 2 2 392.425 3.590 20 0 GHADLP C[C@H](Cc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245678433 878358286 /nfs/dbraw/zinc/35/82/86/878358286.db2.gz GRGQNKRMIDEEIU-PTUXOGIPSA-N 2 2 385.596 3.661 20 0 GHADLP C[C@H](Cc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245678433 878358300 /nfs/dbraw/zinc/35/83/00/878358300.db2.gz GRGQNKRMIDEEIU-PTUXOGIPSA-N 2 2 385.596 3.661 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC(OCCC[NH+](C)C)CC1 ZINC000176815499 878417425 /nfs/dbraw/zinc/41/74/25/878417425.db2.gz DEQYCGKWPGJNPI-UHFFFAOYSA-N 2 2 399.535 3.657 20 0 GHADLP CN(C(=O)CCCc1cccs1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245750206 878540623 /nfs/dbraw/zinc/54/06/23/878540623.db2.gz XGHDHQKDXVJLPQ-NHCUHLMSSA-N 2 2 391.625 3.866 20 0 GHADLP CN(C(=O)CCCc1cccs1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245750206 878540636 /nfs/dbraw/zinc/54/06/36/878540636.db2.gz XGHDHQKDXVJLPQ-NHCUHLMSSA-N 2 2 391.625 3.866 20 0 GHADLP CCC(CC)[C@@H](C(=O)Nc1cccc(C[NH+](CC)CC)c1)[NH+]1CCOCC1 ZINC000460783077 878555341 /nfs/dbraw/zinc/55/53/41/878555341.db2.gz WYFCTIWIWSGUHR-NRFANRHFSA-N 2 2 375.557 3.604 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177388270 878685715 /nfs/dbraw/zinc/68/57/15/878685715.db2.gz JJNQNJNSDPMGNV-IAGOWNOFSA-N 2 2 398.532 3.534 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]C3(Cc4ccccc4)CCOCC3)C2)cc1 ZINC000451944549 878748870 /nfs/dbraw/zinc/74/88/70/878748870.db2.gz OXLKVQIMJWOVHB-DEOSSOPVSA-N 2 2 394.559 3.659 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]C3(Cc4ccccc4)CCOCC3)C2)cc1 ZINC000451944549 878748889 /nfs/dbraw/zinc/74/88/89/878748889.db2.gz OXLKVQIMJWOVHB-DEOSSOPVSA-N 2 2 394.559 3.659 20 0 GHADLP COc1ccc(OCCC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000152498450 878854541 /nfs/dbraw/zinc/85/45/41/878854541.db2.gz JEYKLTLBYBRNDV-UHFFFAOYSA-N 2 2 383.536 3.789 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccco2)Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246227661 879253383 /nfs/dbraw/zinc/25/33/83/879253383.db2.gz FNWIGSJFUCHUOP-DENIHFKCSA-N 2 2 392.503 3.588 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccco2)Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246227661 879253398 /nfs/dbraw/zinc/25/33/98/879253398.db2.gz FNWIGSJFUCHUOP-DENIHFKCSA-N 2 2 392.503 3.588 20 0 GHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000152751668 879651994 /nfs/dbraw/zinc/65/19/94/879651994.db2.gz SBFVDFMBNRAXDF-MRXNPFEDSA-N 2 2 388.943 3.603 20 0 GHADLP CC(C)c1ccc([C@H]2CCC[N@@H+]2CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790372254 879676719 /nfs/dbraw/zinc/67/67/19/879676719.db2.gz NCZROYGPVCNINT-GGAORHGYSA-N 2 2 383.536 3.821 20 0 GHADLP CC(C)c1ccc([C@H]2CCC[N@H+]2CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790372254 879676727 /nfs/dbraw/zinc/67/67/27/879676727.db2.gz NCZROYGPVCNINT-GGAORHGYSA-N 2 2 383.536 3.821 20 0 GHADLP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Cl)cc1 ZINC000493917144 879716000 /nfs/dbraw/zinc/71/60/00/879716000.db2.gz PHRSVCLHZMLKSV-BVSLBCMMSA-N 2 2 388.939 3.500 20 0 GHADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Cl)cc1 ZINC000493917144 879716010 /nfs/dbraw/zinc/71/60/10/879716010.db2.gz PHRSVCLHZMLKSV-BVSLBCMMSA-N 2 2 388.939 3.500 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000461397299 879735652 /nfs/dbraw/zinc/73/56/52/879735652.db2.gz UKQVYLQAJFHWIB-FQEVSTJZSA-N 2 2 386.584 3.657 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000461397299 879735662 /nfs/dbraw/zinc/73/56/62/879735662.db2.gz UKQVYLQAJFHWIB-FQEVSTJZSA-N 2 2 386.584 3.657 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000246854684 879829372 /nfs/dbraw/zinc/82/93/72/879829372.db2.gz DQKGZXVHOVIODH-WMZHIEFXSA-N 2 2 379.548 3.838 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000246854684 879829379 /nfs/dbraw/zinc/82/93/79/879829379.db2.gz DQKGZXVHOVIODH-WMZHIEFXSA-N 2 2 379.548 3.838 20 0 GHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000246874913 879836659 /nfs/dbraw/zinc/83/66/59/879836659.db2.gz ARNNLJGYJFXLLJ-GGAORHGYSA-N 2 2 399.579 3.699 20 0 GHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000246874913 879836670 /nfs/dbraw/zinc/83/66/70/879836670.db2.gz ARNNLJGYJFXLLJ-GGAORHGYSA-N 2 2 399.579 3.699 20 0 GHADLP O[C@]1(C[NH2+]Cc2cnc(C3CCCCC3)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000531451504 879845122 /nfs/dbraw/zinc/84/51/22/879845122.db2.gz LGKYBVNFMNCCNV-QFIPXVFZSA-N 2 2 385.577 3.917 20 0 GHADLP O[C@]1(C[NH2+]Cc2cnc(C3CCCCC3)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000531451504 879845138 /nfs/dbraw/zinc/84/51/38/879845138.db2.gz LGKYBVNFMNCCNV-QFIPXVFZSA-N 2 2 385.577 3.917 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1cccc2ccccc21 ZINC000246964770 879866905 /nfs/dbraw/zinc/86/69/05/879866905.db2.gz VDGXHTRLDPEBPL-VAXXYWNWSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1cccc2ccccc21 ZINC000246964770 879866916 /nfs/dbraw/zinc/86/69/16/879866916.db2.gz VDGXHTRLDPEBPL-VAXXYWNWSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc2ccccc21 ZINC000246964770 879866927 /nfs/dbraw/zinc/86/69/27/879866927.db2.gz VDGXHTRLDPEBPL-VAXXYWNWSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc2ccccc21 ZINC000246964770 879866946 /nfs/dbraw/zinc/86/69/46/879866946.db2.gz VDGXHTRLDPEBPL-VAXXYWNWSA-N 2 2 391.559 3.966 20 0 GHADLP CC(C)[C@@H](C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[NH+]1CCCCC1 ZINC000791269454 880295795 /nfs/dbraw/zinc/29/57/95/880295795.db2.gz CBWWJWSGPFZQMK-NQIIRXRSSA-N 2 2 386.584 3.941 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)[C@H](C)C1 ZINC000453109278 880477451 /nfs/dbraw/zinc/47/74/51/880477451.db2.gz AGMYBKURYJCBKS-DYXWJJEUSA-N 2 2 384.568 3.875 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)[C@H](C)C1 ZINC000453109278 880477455 /nfs/dbraw/zinc/47/74/55/880477455.db2.gz AGMYBKURYJCBKS-DYXWJJEUSA-N 2 2 384.568 3.875 20 0 GHADLP C[C@H]([NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)c1ccc(=O)[nH]n1 ZINC000286107747 912572888 /nfs/dbraw/zinc/57/28/88/912572888.db2.gz NLZIRASNFKVSCK-IBGZPJMESA-N 2 2 376.504 3.513 20 0 GHADLP CCOC(=O)c1cnn(C2CC[NH+]([C@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000453275153 880760216 /nfs/dbraw/zinc/76/02/16/880760216.db2.gz HFDXMHGUBRSBTL-QGZVFWFLSA-N 2 2 393.491 3.644 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453372141 880855904 /nfs/dbraw/zinc/85/59/04/880855904.db2.gz OACOIPVFACVLOY-NASSWSRMSA-N 2 2 379.508 3.917 20 0 GHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3cccc(Cl)c3F)CC2)CC1 ZINC000187011131 881049029 /nfs/dbraw/zinc/04/90/29/881049029.db2.gz LPGLZPUVARBHFS-MRXNPFEDSA-N 2 2 395.950 3.806 20 0 GHADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000187367688 881167835 /nfs/dbraw/zinc/16/78/35/881167835.db2.gz MWZULIYRJBTUNG-SFHVURJKSA-N 2 2 376.504 3.945 20 0 GHADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000187367688 881167847 /nfs/dbraw/zinc/16/78/47/881167847.db2.gz MWZULIYRJBTUNG-SFHVURJKSA-N 2 2 376.504 3.945 20 0 GHADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2nnc3n2CCCCC3)ccc1OC ZINC000182224357 883213030 /nfs/dbraw/zinc/21/30/30/883213030.db2.gz PPHCSVRRTNCVCB-QGZVFWFLSA-N 2 2 385.556 3.706 20 0 GHADLP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)c(Cl)nc21 ZINC000184729670 883381824 /nfs/dbraw/zinc/38/18/24/883381824.db2.gz NIGIXTIPMBSLSF-OAHLLOKOSA-N 2 2 386.931 3.854 20 0 GHADLP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)c(Cl)nc21 ZINC000184729670 883381837 /nfs/dbraw/zinc/38/18/37/883381837.db2.gz NIGIXTIPMBSLSF-OAHLLOKOSA-N 2 2 386.931 3.854 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000188714739 883862919 /nfs/dbraw/zinc/86/29/19/883862919.db2.gz WPCAMUKPAHQVBH-APWZRJJASA-N 2 2 375.463 3.726 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000188714739 883862935 /nfs/dbraw/zinc/86/29/35/883862935.db2.gz WPCAMUKPAHQVBH-APWZRJJASA-N 2 2 375.463 3.726 20 0 GHADLP COCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000194974318 884014518 /nfs/dbraw/zinc/01/45/18/884014518.db2.gz AWDVAVHSEZTJGE-UHFFFAOYSA-N 2 2 393.325 3.910 20 0 GHADLP C[N@@H+]1CCC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000498378365 884222271 /nfs/dbraw/zinc/22/22/71/884222271.db2.gz PXBXLDDWURRUCV-DNVCBOLYSA-N 2 2 394.441 3.560 20 0 GHADLP C[N@H+]1CCC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000498378365 884222286 /nfs/dbraw/zinc/22/22/86/884222286.db2.gz PXBXLDDWURRUCV-DNVCBOLYSA-N 2 2 394.441 3.560 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)C2 ZINC000476239756 884308701 /nfs/dbraw/zinc/30/87/01/884308701.db2.gz RCXOELJKPVAXFK-HKUYNNGSSA-N 2 2 382.552 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)C2 ZINC000476239756 884308720 /nfs/dbraw/zinc/30/87/20/884308720.db2.gz RCXOELJKPVAXFK-HKUYNNGSSA-N 2 2 382.552 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)CC2 ZINC000476239756 884308739 /nfs/dbraw/zinc/30/87/39/884308739.db2.gz RCXOELJKPVAXFK-HKUYNNGSSA-N 2 2 382.552 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)CC2 ZINC000476239756 884308746 /nfs/dbraw/zinc/30/87/46/884308746.db2.gz RCXOELJKPVAXFK-HKUYNNGSSA-N 2 2 382.552 3.665 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2ccc(F)cc2)CCCCC1 ZINC000498426397 884399649 /nfs/dbraw/zinc/39/96/49/884399649.db2.gz UATQZOFOIHOYTD-UHFFFAOYSA-N 2 2 389.559 3.512 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2ccc(F)cc2)CCCCC1 ZINC000498426397 884399670 /nfs/dbraw/zinc/39/96/70/884399670.db2.gz UATQZOFOIHOYTD-UHFFFAOYSA-N 2 2 389.559 3.512 20 0 GHADLP C[C@H](C[NH+]1CCCC[C@H]1c1cnn(C)c1)C[N@@H+]1CCCC[C@@H]1c1cnn(C)c1 ZINC000556532995 885259124 /nfs/dbraw/zinc/25/91/24/885259124.db2.gz AQBDHQSXLWVBEZ-FJPGZJACSA-N 2 2 384.572 3.544 20 0 GHADLP C[C@H](C[NH+]1CCCC[C@H]1c1cnn(C)c1)C[N@H+]1CCCC[C@@H]1c1cnn(C)c1 ZINC000556532995 885259142 /nfs/dbraw/zinc/25/91/42/885259142.db2.gz AQBDHQSXLWVBEZ-FJPGZJACSA-N 2 2 384.572 3.544 20 0 GHADLP C[C@@H](C[NH+]1CCCC[C@@H]1c1cnn(C)c1)C[N@@H+]1CCCC[C@H]1c1cnn(C)c1 ZINC000556532995 885259160 /nfs/dbraw/zinc/25/91/60/885259160.db2.gz AQBDHQSXLWVBEZ-FJPGZJACSA-N 2 2 384.572 3.544 20 0 GHADLP C[C@@H](C[NH+]1CCCC[C@@H]1c1cnn(C)c1)C[N@H+]1CCCC[C@H]1c1cnn(C)c1 ZINC000556532995 885259181 /nfs/dbraw/zinc/25/91/81/885259181.db2.gz AQBDHQSXLWVBEZ-FJPGZJACSA-N 2 2 384.572 3.544 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1CC[C@](C)(Cc2ccccc2)C1=O ZINC000762077918 885349691 /nfs/dbraw/zinc/34/96/91/885349691.db2.gz UJXOTKOLXTUMGR-HSZRJFAPSA-N 2 2 382.552 3.596 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1CC[C@](C)(Cc2ccccc2)C1=O ZINC000762077918 885349711 /nfs/dbraw/zinc/34/97/11/885349711.db2.gz UJXOTKOLXTUMGR-HSZRJFAPSA-N 2 2 382.552 3.596 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000550630192 885628733 /nfs/dbraw/zinc/62/87/33/885628733.db2.gz WYOGYDIFVKVMOV-FQEVSTJZSA-N 2 2 398.547 3.971 20 0 GHADLP CC(C)[NH2+]C1CC[NH+](C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000108372512 885669011 /nfs/dbraw/zinc/66/90/11/885669011.db2.gz YBLFNZUGFIHFPP-FQEVSTJZSA-N 2 2 384.520 3.681 20 0 GHADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000495432762 885778836 /nfs/dbraw/zinc/77/88/36/885778836.db2.gz LBJBRIICBYISDO-QIJUGHKUSA-N 2 2 387.568 3.508 20 0 GHADLP COc1ccc([C@H](CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)[NH+](C)C)cc1OC ZINC000550678817 885850723 /nfs/dbraw/zinc/85/07/23/885850723.db2.gz UYOGEDXTXKWISV-FKBYEOEOSA-N 2 2 397.563 3.732 20 0 GHADLP COc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)[NH+](C)C)cc1OC ZINC000550678817 885850737 /nfs/dbraw/zinc/85/07/37/885850737.db2.gz UYOGEDXTXKWISV-FKBYEOEOSA-N 2 2 397.563 3.732 20 0 GHADLP COc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)N(C)C)cc1OC ZINC000550678817 885850753 /nfs/dbraw/zinc/85/07/53/885850753.db2.gz UYOGEDXTXKWISV-FKBYEOEOSA-N 2 2 397.563 3.732 20 0 GHADLP COc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)N(C)C)cc1OC ZINC000550678817 885850761 /nfs/dbraw/zinc/85/07/61/885850761.db2.gz UYOGEDXTXKWISV-FKBYEOEOSA-N 2 2 397.563 3.732 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)[C@H](C)C1 ZINC000537615637 886612709 /nfs/dbraw/zinc/61/27/09/886612709.db2.gz MDAKTZJKYYKFDS-BEFAXECRSA-N 2 2 391.357 3.797 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)[C@H](C)C1 ZINC000537615637 886612713 /nfs/dbraw/zinc/61/27/13/886612713.db2.gz MDAKTZJKYYKFDS-BEFAXECRSA-N 2 2 391.357 3.797 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)[C@H](C)C1 ZINC000537615637 886612720 /nfs/dbraw/zinc/61/27/20/886612720.db2.gz MDAKTZJKYYKFDS-BEFAXECRSA-N 2 2 391.357 3.797 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)[C@H](C)C1 ZINC000537615637 886612726 /nfs/dbraw/zinc/61/27/26/886612726.db2.gz MDAKTZJKYYKFDS-BEFAXECRSA-N 2 2 391.357 3.797 20 0 GHADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C[C@H](C)O1 ZINC000532645908 886859707 /nfs/dbraw/zinc/85/97/07/886859707.db2.gz ORUAURFUHISPQA-BGYRXZFFSA-N 3 2 382.552 3.584 20 0 GHADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C[C@H](C)O1 ZINC000532645908 886859719 /nfs/dbraw/zinc/85/97/19/886859719.db2.gz ORUAURFUHISPQA-BGYRXZFFSA-N 3 2 382.552 3.584 20 0 GHADLP CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000236775951 886883701 /nfs/dbraw/zinc/88/37/01/886883701.db2.gz DUXYCFAZBNAVHJ-JOCHJYFZSA-N 2 2 376.504 3.732 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000237406698 886945245 /nfs/dbraw/zinc/94/52/45/886945245.db2.gz OMXPKKLVBJMORE-HZPDHXFCSA-N 2 2 390.959 3.731 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cc(Cl)ccc3Cl)CC2)CC1 ZINC000127472824 887064214 /nfs/dbraw/zinc/06/42/14/887064214.db2.gz ZHPUTDDXSBOGJA-UHFFFAOYSA-N 2 2 385.339 3.674 20 0 GHADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)cc(Br)c1 ZINC000655756117 887224150 /nfs/dbraw/zinc/22/41/50/887224150.db2.gz OIGIVLSTOQTZOC-QZTJIDSGSA-N 2 2 385.321 3.882 20 0 GHADLP O=C(OCc1ccccc1)N1CCC(C[NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000809633748 887636321 /nfs/dbraw/zinc/63/63/21/887636321.db2.gz KMYICHXIFLTUMS-UHFFFAOYSA-N 2 2 382.508 3.522 20 0 GHADLP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000134404917 887871070 /nfs/dbraw/zinc/87/10/70/887871070.db2.gz BEHBJSMOGAZLFQ-FZKQIMNGSA-N 2 2 397.332 3.666 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000809994581 888050458 /nfs/dbraw/zinc/05/04/58/888050458.db2.gz AKRDTGNUJONWDX-UHFFFAOYSA-N 2 2 379.504 3.669 20 0 GHADLP O=C(NCc1c[nH+]cn1C1CCC1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001184408881 913206196 /nfs/dbraw/zinc/20/61/96/913206196.db2.gz YJSLEHAIYDEPFF-KRWDZBQOSA-N 2 2 386.927 3.790 20 0 GHADLP O=C(NCc1c[nH+]cn1C1CCC1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001184408881 913206216 /nfs/dbraw/zinc/20/62/16/913206216.db2.gz YJSLEHAIYDEPFF-KRWDZBQOSA-N 2 2 386.927 3.790 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)n2)CC1 ZINC000810009382 888076238 /nfs/dbraw/zinc/07/62/38/888076238.db2.gz WZXMVYJGUBDESX-LJQANCHMSA-N 2 2 382.549 3.526 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)n2)CC1 ZINC000810009382 888076250 /nfs/dbraw/zinc/07/62/50/888076250.db2.gz WZXMVYJGUBDESX-LJQANCHMSA-N 2 2 382.549 3.526 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ncc(Br)s3)CC2)cc1 ZINC000865849429 888609218 /nfs/dbraw/zinc/60/92/18/888609218.db2.gz OMXBDBAAXUQRIV-UHFFFAOYSA-N 2 2 395.370 3.730 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc(C)c1F ZINC000123641692 889355188 /nfs/dbraw/zinc/35/51/88/889355188.db2.gz QIUJOESCCHVHBD-SFTDATJTSA-N 2 2 389.559 3.852 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc(C)c1F ZINC000123641692 889355198 /nfs/dbraw/zinc/35/51/98/889355198.db2.gz QIUJOESCCHVHBD-SFTDATJTSA-N 2 2 389.559 3.852 20 0 GHADLP COc1cc(OC)cc(OCCC[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000533023097 889530108 /nfs/dbraw/zinc/53/01/08/889530108.db2.gz SPQFXSCWXZQUQF-UHFFFAOYSA-N 2 2 381.476 3.790 20 0 GHADLP COc1cc(OC)cc(OCCC[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000533023097 889530122 /nfs/dbraw/zinc/53/01/22/889530122.db2.gz SPQFXSCWXZQUQF-UHFFFAOYSA-N 2 2 381.476 3.790 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000124627440 889700964 /nfs/dbraw/zinc/70/09/64/889700964.db2.gz YESYRJYHCYAXLS-YTQUADARSA-N 2 2 377.598 3.647 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000124627440 889700979 /nfs/dbraw/zinc/70/09/79/889700979.db2.gz YESYRJYHCYAXLS-YTQUADARSA-N 2 2 377.598 3.647 20 0 GHADLP CCc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)oc1CC ZINC000124674315 889721263 /nfs/dbraw/zinc/72/12/63/889721263.db2.gz JHBGGLJUTZVDGZ-WOJBJXKFSA-N 2 2 389.584 3.814 20 0 GHADLP CCc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)oc1CC ZINC000124674315 889721273 /nfs/dbraw/zinc/72/12/73/889721273.db2.gz JHBGGLJUTZVDGZ-WOJBJXKFSA-N 2 2 389.584 3.814 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000533347618 890308633 /nfs/dbraw/zinc/30/86/33/890308633.db2.gz DLJIVAXVYJHWIC-ZDUSSCGKSA-N 2 2 376.888 3.587 20 0 GHADLP C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000533347634 890309017 /nfs/dbraw/zinc/30/90/17/890309017.db2.gz HBTMGSPXYDXMNG-CYBMUJFWSA-N 2 2 399.495 3.879 20 0 GHADLP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccc(C2CC2)c1 ZINC000455123052 890344037 /nfs/dbraw/zinc/34/40/37/890344037.db2.gz ZYNAAXFLGYUBHQ-LJQANCHMSA-N 2 2 398.595 3.875 20 0 GHADLP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1cc(C[NH+]2CCOCC2)ccc1F ZINC001170685696 890942548 /nfs/dbraw/zinc/94/25/48/890942548.db2.gz FGHYNSZKALRRJW-INIZCTEOSA-N 2 2 380.467 3.530 20 0 GHADLP CN1CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@H]1c1ccccc1 ZINC000812841079 891029977 /nfs/dbraw/zinc/02/99/77/891029977.db2.gz MIPTWJDHFCDVFV-BJKOFHAPSA-N 2 2 378.564 3.756 20 0 GHADLP CC(C)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000533646976 891038694 /nfs/dbraw/zinc/03/86/94/891038694.db2.gz HLSIAFGPGNPIRF-FGZHOGPDSA-N 2 2 386.584 3.614 20 0 GHADLP CC(C)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000533646976 891038704 /nfs/dbraw/zinc/03/87/04/891038704.db2.gz HLSIAFGPGNPIRF-FGZHOGPDSA-N 2 2 386.584 3.614 20 0 GHADLP CN(C(=O)NCCCC1CCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533665285 891075202 /nfs/dbraw/zinc/07/52/02/891075202.db2.gz WERLYGFZKSMSAY-FGZHOGPDSA-N 2 2 392.632 3.935 20 0 GHADLP CN(C(=O)NCCCC1CCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533665285 891075207 /nfs/dbraw/zinc/07/52/07/891075207.db2.gz WERLYGFZKSMSAY-FGZHOGPDSA-N 2 2 392.632 3.935 20 0 GHADLP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247219455 891356509 /nfs/dbraw/zinc/35/65/09/891356509.db2.gz XNIFLKPRRBSSAO-GCJKJVERSA-N 2 2 380.536 3.820 20 0 GHADLP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247219455 891356525 /nfs/dbraw/zinc/35/65/25/891356525.db2.gz XNIFLKPRRBSSAO-GCJKJVERSA-N 2 2 380.536 3.820 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@H](c3ccn(C)n3)c3ccc(F)cc3)CC2)[nH+]1 ZINC000497400673 891499181 /nfs/dbraw/zinc/49/91/81/891499181.db2.gz VFXUTWNWZQNJSG-QFIPXVFZSA-N 2 2 379.483 3.611 20 0 GHADLP Cc1nc(Cl)sc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124838511 891996188 /nfs/dbraw/zinc/99/61/88/891996188.db2.gz RYVTYLKHNIMPNB-HZPDHXFCSA-N 2 2 399.004 3.514 20 0 GHADLP Cc1nc(Cl)sc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124838511 891996200 /nfs/dbraw/zinc/99/62/00/891996200.db2.gz RYVTYLKHNIMPNB-HZPDHXFCSA-N 2 2 399.004 3.514 20 0 GHADLP FC(F)(F)c1ccn(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000814223130 892414455 /nfs/dbraw/zinc/41/44/55/892414455.db2.gz BKKYGRIRIQTVAA-UHFFFAOYSA-N 2 2 378.442 3.848 20 0 GHADLP FC(F)(F)c1ccn(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000814223130 892414462 /nfs/dbraw/zinc/41/44/62/892414462.db2.gz BKKYGRIRIQTVAA-UHFFFAOYSA-N 2 2 378.442 3.848 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000428687609 893236845 /nfs/dbraw/zinc/23/68/45/893236845.db2.gz FNYVMADQXUABSK-FQEVSTJZSA-N 2 2 391.604 3.624 20 0 GHADLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000815058907 893364868 /nfs/dbraw/zinc/36/48/68/893364868.db2.gz YLBKJPIKOWWVIP-SUMWQHHRSA-N 2 2 389.765 3.584 20 0 GHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000815058907 893364887 /nfs/dbraw/zinc/36/48/87/893364887.db2.gz YLBKJPIKOWWVIP-SUMWQHHRSA-N 2 2 389.765 3.584 20 0 GHADLP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000815058907 893364904 /nfs/dbraw/zinc/36/49/04/893364904.db2.gz YLBKJPIKOWWVIP-SUMWQHHRSA-N 2 2 389.765 3.584 20 0 GHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000815058907 893364918 /nfs/dbraw/zinc/36/49/18/893364918.db2.gz YLBKJPIKOWWVIP-SUMWQHHRSA-N 2 2 389.765 3.584 20 0 GHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444805955 893761176 /nfs/dbraw/zinc/76/11/76/893761176.db2.gz VPHJBUUCYJJJIS-OAHLLOKOSA-N 2 2 395.334 3.565 20 0 GHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444805955 893761186 /nfs/dbraw/zinc/76/11/86/893761186.db2.gz VPHJBUUCYJJJIS-OAHLLOKOSA-N 2 2 395.334 3.565 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000536864345 893960953 /nfs/dbraw/zinc/96/09/53/893960953.db2.gz QZAFHGORXCNJPL-PBHICJAKSA-N 2 2 391.437 3.543 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000536864345 893960957 /nfs/dbraw/zinc/96/09/57/893960957.db2.gz QZAFHGORXCNJPL-PBHICJAKSA-N 2 2 391.437 3.543 20 0 GHADLP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000129786974 893971737 /nfs/dbraw/zinc/97/17/37/893971737.db2.gz UQIVMTVWCPAZFB-PMACEKPBSA-N 2 2 389.902 3.716 20 0 GHADLP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000129786974 893971743 /nfs/dbraw/zinc/97/17/43/893971743.db2.gz UQIVMTVWCPAZFB-PMACEKPBSA-N 2 2 389.902 3.716 20 0 GHADLP CC1(C)Oc2ccsc2[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]1O ZINC000459693220 894083816 /nfs/dbraw/zinc/08/38/16/894083816.db2.gz KRYOQIQEVYKXFS-CTNGQTDRSA-N 2 2 386.561 3.618 20 0 GHADLP C[C@H]([NH2+][C@H]1CCN(CCCc2ccccc2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536908803 894087672 /nfs/dbraw/zinc/08/76/72/894087672.db2.gz HNOHKWHWCJMKGK-CVDCTZTESA-N 2 2 388.515 3.757 20 0 GHADLP Cc1cc(C)c(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)c(C)[nH+]1 ZINC000563787615 894195164 /nfs/dbraw/zinc/19/51/64/894195164.db2.gz ODNNPNNVUTXLFB-UHFFFAOYSA-N 2 2 376.570 3.880 20 0 GHADLP COC(C)(C)c1nsc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC001185438265 913863464 /nfs/dbraw/zinc/86/34/64/913863464.db2.gz ATORCAOSOKXXHD-UHFFFAOYSA-N 2 2 389.569 3.941 20 0 GHADLP CC(C)Oc1ccccc1C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001137138205 894654775 /nfs/dbraw/zinc/65/47/75/894654775.db2.gz SOULLGVOXGDPCU-UHFFFAOYSA-N 2 2 382.552 3.838 20 0 GHADLP CC(C)Oc1ccccc1C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001137138205 894654778 /nfs/dbraw/zinc/65/47/78/894654778.db2.gz SOULLGVOXGDPCU-UHFFFAOYSA-N 2 2 382.552 3.838 20 0 GHADLP CC[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(OC)c(OC)c1 ZINC000537456206 895026899 /nfs/dbraw/zinc/02/68/99/895026899.db2.gz SJLDBSFADNTYLP-RBUKOAKNSA-N 2 2 384.524 3.802 20 0 GHADLP Cc1nn2c(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)c(C(C)C)nc2s1 ZINC000564611779 895122060 /nfs/dbraw/zinc/12/20/60/895122060.db2.gz MRXVRPHIFDFWAI-UHFFFAOYSA-N 2 2 380.521 3.757 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)N(C(C)C)C(C)C)C2)s1 ZINC000564801232 895256381 /nfs/dbraw/zinc/25/63/81/895256381.db2.gz CYDDYDKTRYRQQQ-MOPGFXCFSA-N 2 2 379.614 3.844 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)N(C(C)C)C(C)C)C2)s1 ZINC000564801232 895256392 /nfs/dbraw/zinc/25/63/92/895256392.db2.gz CYDDYDKTRYRQQQ-MOPGFXCFSA-N 2 2 379.614 3.844 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)N(C(C)C)C(C)C)C2)s1 ZINC000564801232 895256401 /nfs/dbraw/zinc/25/64/01/895256401.db2.gz CYDDYDKTRYRQQQ-MOPGFXCFSA-N 2 2 379.614 3.844 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)N(C(C)C)C(C)C)C2)s1 ZINC000564801232 895256413 /nfs/dbraw/zinc/25/64/13/895256413.db2.gz CYDDYDKTRYRQQQ-MOPGFXCFSA-N 2 2 379.614 3.844 20 0 GHADLP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(F)c(C[NH2+][C@@H](C)c2nccnc2C)c1 ZINC000880109357 895521911 /nfs/dbraw/zinc/52/19/11/895521911.db2.gz XGXZYRUCQAREAC-SJORKVTESA-N 2 2 394.498 3.724 20 0 GHADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000880132892 895532683 /nfs/dbraw/zinc/53/26/83/895532683.db2.gz GYSHXFCEYQWYEZ-WOIUINJBSA-N 2 2 383.561 3.512 20 0 GHADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000880132892 895532695 /nfs/dbraw/zinc/53/26/95/895532695.db2.gz GYSHXFCEYQWYEZ-WOIUINJBSA-N 2 2 383.561 3.512 20 0 GHADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000880132892 895532706 /nfs/dbraw/zinc/53/27/06/895532706.db2.gz GYSHXFCEYQWYEZ-WOIUINJBSA-N 2 2 383.561 3.512 20 0 GHADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000880132892 895532713 /nfs/dbraw/zinc/53/27/13/895532713.db2.gz GYSHXFCEYQWYEZ-WOIUINJBSA-N 2 2 383.561 3.512 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)([NH+]2CCCCC2)CC1 ZINC000565723352 895832729 /nfs/dbraw/zinc/83/27/29/895832729.db2.gz UAPYNJARZWPBOD-QHAWAJNXSA-N 2 2 375.601 3.659 20 0 GHADLP CCC(F)(F)c1ccccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000880777926 895865560 /nfs/dbraw/zinc/86/55/60/895865560.db2.gz VOCFZPMSWODSDD-UHFFFAOYSA-N 2 2 382.499 3.678 20 0 GHADLP CCC(F)(F)c1ccccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000880777926 895865567 /nfs/dbraw/zinc/86/55/67/895865567.db2.gz VOCFZPMSWODSDD-UHFFFAOYSA-N 2 2 382.499 3.678 20 0 GHADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(OCc3ccccc3F)cc2)C[C@@H](C)O1 ZINC000818339768 896119489 /nfs/dbraw/zinc/11/94/89/896119489.db2.gz CRSNGDUENAKVRP-RTBURBONSA-N 2 2 386.511 3.994 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000818945884 896287277 /nfs/dbraw/zinc/28/72/77/896287277.db2.gz SLNRINJWWTYGCR-IBGZPJMESA-N 2 2 375.394 3.773 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C2 ZINC000566574025 896385320 /nfs/dbraw/zinc/38/53/20/896385320.db2.gz ODRQRANJTYCRJZ-HNAYVOBHSA-N 2 2 388.943 3.711 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)C3CCCCC3)C2)s1 ZINC000566645821 896449390 /nfs/dbraw/zinc/44/93/90/896449390.db2.gz ATVPCWPKEPMFEY-RBUKOAKNSA-N 2 2 391.625 3.990 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)N(C)C3CCCCC3)C2)s1 ZINC000566645821 896449394 /nfs/dbraw/zinc/44/93/94/896449394.db2.gz ATVPCWPKEPMFEY-RBUKOAKNSA-N 2 2 391.625 3.990 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N(C)C3CCCCC3)C2)s1 ZINC000566645821 896449410 /nfs/dbraw/zinc/44/94/10/896449410.db2.gz ATVPCWPKEPMFEY-RBUKOAKNSA-N 2 2 391.625 3.990 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N(C)C3CCCCC3)C2)s1 ZINC000566645821 896449416 /nfs/dbraw/zinc/44/94/16/896449416.db2.gz ATVPCWPKEPMFEY-RBUKOAKNSA-N 2 2 391.625 3.990 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000566882771 896661949 /nfs/dbraw/zinc/66/19/49/896661949.db2.gz VTXCZSLDEQSUJU-UHFFFAOYSA-N 2 2 390.516 3.508 20 0 GHADLP CN(c1ccc([NH2+]CCC(=O)Nc2cccc(F)c2)cc1)C1CC[NH+](C)CC1 ZINC000819417321 896711379 /nfs/dbraw/zinc/71/13/79/896711379.db2.gz HFNUYMYVSCSFQK-UHFFFAOYSA-N 2 2 384.499 3.797 20 0 GHADLP Fc1ccc(/C=C/C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1F ZINC000567147309 896912939 /nfs/dbraw/zinc/91/29/39/896912939.db2.gz GUQAXBUASVZPNT-SNXGKTBFSA-N 2 2 397.513 3.870 20 0 GHADLP Fc1ccc(/C=C/C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1F ZINC000567147309 896912950 /nfs/dbraw/zinc/91/29/50/896912950.db2.gz GUQAXBUASVZPNT-SNXGKTBFSA-N 2 2 397.513 3.870 20 0 GHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000289255083 914113007 /nfs/dbraw/zinc/11/30/07/914113007.db2.gz BTOLITNGLMSTHC-OAHLLOKOSA-N 2 2 386.483 3.511 20 0 GHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000289255083 914113016 /nfs/dbraw/zinc/11/30/16/914113016.db2.gz BTOLITNGLMSTHC-OAHLLOKOSA-N 2 2 386.483 3.511 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2c3c(nn2C)CCSC3)c(C)c1 ZINC000883073113 897253719 /nfs/dbraw/zinc/25/37/19/897253719.db2.gz GWMTVEHHAOSIMH-HXUWFJFHSA-N 2 2 381.549 3.554 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc2c(c1)C[N@H+]([C@@H]1CC[NH+]3CCC[C@@H]3C1)CCO2 ZINC000883279128 897436872 /nfs/dbraw/zinc/43/68/72/897436872.db2.gz JOXFKMHQZWOFPG-RTBURBONSA-N 2 2 387.524 3.855 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH+]3CCC[C@@H]3C1)CCO2 ZINC000883279128 897436878 /nfs/dbraw/zinc/43/68/78/897436878.db2.gz JOXFKMHQZWOFPG-RTBURBONSA-N 2 2 387.524 3.855 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc2c(c1)C[NH+]([C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC000883279128 897436883 /nfs/dbraw/zinc/43/68/83/897436883.db2.gz JOXFKMHQZWOFPG-RTBURBONSA-N 2 2 387.524 3.855 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc2c(c1)C[NH+]([C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC000883279128 897436890 /nfs/dbraw/zinc/43/68/90/897436890.db2.gz JOXFKMHQZWOFPG-RTBURBONSA-N 2 2 387.524 3.855 20 0 GHADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000883387311 897550466 /nfs/dbraw/zinc/55/04/66/897550466.db2.gz VOFVTRWQIPDLSI-LAUBAEHRSA-N 2 2 378.476 3.640 20 0 GHADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001136378208 897551103 /nfs/dbraw/zinc/55/11/03/897551103.db2.gz CDUIFYWXKBHJGY-TWFHAPMSSA-N 2 2 391.987 3.787 20 0 GHADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001136378208 897551119 /nfs/dbraw/zinc/55/11/19/897551119.db2.gz CDUIFYWXKBHJGY-TWFHAPMSSA-N 2 2 391.987 3.787 20 0 GHADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001136378208 897551128 /nfs/dbraw/zinc/55/11/28/897551128.db2.gz CDUIFYWXKBHJGY-TWFHAPMSSA-N 2 2 391.987 3.787 20 0 GHADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001136378208 897551138 /nfs/dbraw/zinc/55/11/38/897551138.db2.gz CDUIFYWXKBHJGY-TWFHAPMSSA-N 2 2 391.987 3.787 20 0 GHADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001136393890 897619221 /nfs/dbraw/zinc/61/92/21/897619221.db2.gz BCAZHADPSRQJRR-MBOZVWFJSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001136393890 897619229 /nfs/dbraw/zinc/61/92/29/897619229.db2.gz BCAZHADPSRQJRR-MBOZVWFJSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001136393890 897619236 /nfs/dbraw/zinc/61/92/36/897619236.db2.gz BCAZHADPSRQJRR-MBOZVWFJSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001136393890 897619242 /nfs/dbraw/zinc/61/92/42/897619242.db2.gz BCAZHADPSRQJRR-MBOZVWFJSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000569244078 898461916 /nfs/dbraw/zinc/46/19/16/898461916.db2.gz GUBGJIJHWQKOEY-IIBYNOLFSA-N 2 2 392.465 3.645 20 0 GHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000569244078 898461923 /nfs/dbraw/zinc/46/19/23/898461923.db2.gz GUBGJIJHWQKOEY-IIBYNOLFSA-N 2 2 392.465 3.645 20 0 GHADLP C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105724 914259539 /nfs/dbraw/zinc/25/95/39/914259539.db2.gz FFHWUBNSTKJIDA-HNNXBMFYSA-N 2 2 375.900 3.853 20 0 GHADLP C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105724 914259552 /nfs/dbraw/zinc/25/95/52/914259552.db2.gz FFHWUBNSTKJIDA-HNNXBMFYSA-N 2 2 375.900 3.853 20 0 GHADLP c1cc2cc(C[NH2+]Cc3ccc(OCC[NH+]4CCOCC4)cc3)ccc2s1 ZINC001202655140 898909961 /nfs/dbraw/zinc/90/99/61/898909961.db2.gz KCLHVLOBFSKYHC-UHFFFAOYSA-N 2 2 382.529 3.902 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000569831398 898974429 /nfs/dbraw/zinc/97/44/29/898974429.db2.gz KDAIBRNABOERJH-FQEVSTJZSA-N 2 2 392.499 3.826 20 0 GHADLP CN(C)C(=O)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000570091752 899118046 /nfs/dbraw/zinc/11/80/46/899118046.db2.gz HUJUBCKVNFHQOG-GOTSBHOMSA-N 2 2 391.559 3.993 20 0 GHADLP CN(C)C(=O)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000570091752 899118051 /nfs/dbraw/zinc/11/80/51/899118051.db2.gz HUJUBCKVNFHQOG-GOTSBHOMSA-N 2 2 391.559 3.993 20 0 GHADLP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)[NH+](CC)CC ZINC001136752450 899141626 /nfs/dbraw/zinc/14/16/26/899141626.db2.gz RAQSIIIDHHYQAL-HKUYNNGSSA-N 2 2 383.939 3.680 20 0 GHADLP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)[NH+](CC)CC ZINC001136752450 899141631 /nfs/dbraw/zinc/14/16/31/899141631.db2.gz RAQSIIIDHHYQAL-HKUYNNGSSA-N 2 2 383.939 3.680 20 0 GHADLP Brc1cccc2c(N3CCC[C@@H]([NH+]4CCOCC4)CC3)cc[nH+]c12 ZINC000570226151 899205718 /nfs/dbraw/zinc/20/57/18/899205718.db2.gz HERNKKGHCFSYLM-OAHLLOKOSA-N 2 2 390.325 3.688 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]CCC(=O)Nc2cccc(F)c2)c(C)c1 ZINC000570711524 899524978 /nfs/dbraw/zinc/52/49/78/899524978.db2.gz WBPYBOAOQQFRAZ-OAQYLSRUSA-N 2 2 380.467 3.999 20 0 GHADLP Cc1ccn2c(C[NH+]3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)cnc2c1 ZINC001136889479 899649493 /nfs/dbraw/zinc/64/94/93/899649493.db2.gz YYEJZHGXHNBHGW-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccn2c(C[NH+]3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)cnc2c1 ZINC001136889479 899649499 /nfs/dbraw/zinc/64/94/99/899649499.db2.gz YYEJZHGXHNBHGW-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccn2c(C[N@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)cnc2c1 ZINC001136889479 899649504 /nfs/dbraw/zinc/64/95/04/899649504.db2.gz YYEJZHGXHNBHGW-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccn2c(C[N@@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)cnc2c1 ZINC001136889479 899649509 /nfs/dbraw/zinc/64/95/09/899649509.db2.gz YYEJZHGXHNBHGW-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP CSc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000120237228 899775117 /nfs/dbraw/zinc/77/51/17/899775117.db2.gz PNFHOFDNUYTEFJ-UHFFFAOYSA-N 2 2 396.988 3.742 20 0 GHADLP O=C(NC1CC1)[C@H](c1ccc(F)cc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000332988008 899883297 /nfs/dbraw/zinc/88/32/97/899883297.db2.gz AMASCJRUVOYZQF-NRFANRHFSA-N 2 2 396.510 3.558 20 0 GHADLP CN(C(=O)c1cccc(C2CC2)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000571893652 900001853 /nfs/dbraw/zinc/00/18/53/900001853.db2.gz RCUPCPNHWFPWAH-XZOQPEGZSA-N 2 2 383.580 3.973 20 0 GHADLP CN(C(=O)c1cccc(C2CC2)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000571893652 900001861 /nfs/dbraw/zinc/00/18/61/900001861.db2.gz RCUPCPNHWFPWAH-XZOQPEGZSA-N 2 2 383.580 3.973 20 0 GHADLP C[N@H+](CC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)Cc1ccccc1 ZINC001144050436 900977307 /nfs/dbraw/zinc/97/73/07/900977307.db2.gz TWKFDOABYYLNHD-QFIPXVFZSA-N 2 2 399.966 3.943 20 0 GHADLP C[N@@H+](CC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)Cc1ccccc1 ZINC001144050436 900977312 /nfs/dbraw/zinc/97/73/12/900977312.db2.gz TWKFDOABYYLNHD-QFIPXVFZSA-N 2 2 399.966 3.943 20 0 GHADLP C[NH+](CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)Cc1ccccc1 ZINC001144050436 900977319 /nfs/dbraw/zinc/97/73/19/900977319.db2.gz TWKFDOABYYLNHD-QFIPXVFZSA-N 2 2 399.966 3.943 20 0 GHADLP C[NH+](CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)Cc1ccccc1 ZINC001144050436 900977324 /nfs/dbraw/zinc/97/73/24/900977324.db2.gz TWKFDOABYYLNHD-QFIPXVFZSA-N 2 2 399.966 3.943 20 0 GHADLP [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171146290 901147315 /nfs/dbraw/zinc/14/73/15/901147315.db2.gz BFKSNTQZDUREMY-QMMLZNLJSA-N 2 2 390.358 3.652 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092648461 901503974 /nfs/dbraw/zinc/50/39/74/901503974.db2.gz MINJPRLXQWRXAI-UHFFFAOYSA-N 2 2 378.476 3.703 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000093318187 901541850 /nfs/dbraw/zinc/54/18/50/901541850.db2.gz SZYLEWBOKUVYHI-WMZHIEFXSA-N 2 2 389.547 3.967 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000093318187 901541861 /nfs/dbraw/zinc/54/18/61/901541861.db2.gz SZYLEWBOKUVYHI-WMZHIEFXSA-N 2 2 389.547 3.967 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000093318187 901541871 /nfs/dbraw/zinc/54/18/71/901541871.db2.gz SZYLEWBOKUVYHI-WMZHIEFXSA-N 2 2 389.547 3.967 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000093318187 901541884 /nfs/dbraw/zinc/54/18/84/901541884.db2.gz SZYLEWBOKUVYHI-WMZHIEFXSA-N 2 2 389.547 3.967 20 0 GHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000093742001 901562683 /nfs/dbraw/zinc/56/26/83/901562683.db2.gz GZYJXWCZQURDEC-NRFANRHFSA-N 2 2 383.536 3.833 20 0 GHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000093742001 901562687 /nfs/dbraw/zinc/56/26/87/901562687.db2.gz GZYJXWCZQURDEC-NRFANRHFSA-N 2 2 383.536 3.833 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000093742001 901562715 /nfs/dbraw/zinc/56/27/15/901562715.db2.gz GZYJXWCZQURDEC-NRFANRHFSA-N 2 2 383.536 3.833 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000093742001 901562722 /nfs/dbraw/zinc/56/27/22/901562722.db2.gz GZYJXWCZQURDEC-NRFANRHFSA-N 2 2 383.536 3.833 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(O)cc1C(F)(F)F)C2 ZINC001144386443 901974031 /nfs/dbraw/zinc/97/40/31/901974031.db2.gz FYCPCWQYMFWNDI-PXNSSMCTSA-N 2 2 398.469 3.591 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(O)cc1C(F)(F)F)C2 ZINC001144386443 901974044 /nfs/dbraw/zinc/97/40/44/901974044.db2.gz FYCPCWQYMFWNDI-PXNSSMCTSA-N 2 2 398.469 3.591 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(O)cc1C(F)(F)F)C2 ZINC001144386443 901974049 /nfs/dbraw/zinc/97/40/49/901974049.db2.gz FYCPCWQYMFWNDI-PXNSSMCTSA-N 2 2 398.469 3.591 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(O)cc1C(F)(F)F)C2 ZINC001144386443 901974059 /nfs/dbraw/zinc/97/40/59/901974059.db2.gz FYCPCWQYMFWNDI-PXNSSMCTSA-N 2 2 398.469 3.591 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2F)[C@H](C)C1 ZINC000846060488 902673678 /nfs/dbraw/zinc/67/36/78/902673678.db2.gz NLXZVTJOPXPOES-BEFAXECRSA-N 2 2 379.520 3.670 20 0 GHADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2F)[C@H](C)C1 ZINC000846060488 902673683 /nfs/dbraw/zinc/67/36/83/902673683.db2.gz NLXZVTJOPXPOES-BEFAXECRSA-N 2 2 379.520 3.670 20 0 GHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000264538071 903181518 /nfs/dbraw/zinc/18/15/18/903181518.db2.gz KLWRHSDPBNVNNY-GOSISDBHSA-N 2 2 376.504 3.791 20 0 GHADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000601007478 903222426 /nfs/dbraw/zinc/22/24/26/903222426.db2.gz NINJHYLNDQWWDX-GOSISDBHSA-N 2 2 384.351 3.558 20 0 GHADLP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000601007478 903222433 /nfs/dbraw/zinc/22/24/33/903222433.db2.gz NINJHYLNDQWWDX-GOSISDBHSA-N 2 2 384.351 3.558 20 0 GHADLP CC1CCC([NH+]2CCN(C(=O)c3c[nH+]ccc3Nc3ccccc3)CC2)CC1 ZINC001146822776 903607035 /nfs/dbraw/zinc/60/70/35/903607035.db2.gz ORYYDTSTTSTXTC-UHFFFAOYSA-N 2 2 378.520 3.584 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccc(OCc2ccncc2)cc1 ZINC001146986834 903654178 /nfs/dbraw/zinc/65/41/78/903654178.db2.gz KOSCETQWKCZOIA-UHFFFAOYSA-N 2 2 399.454 3.731 20 0 GHADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2CCc3c(Cl)ccc(OC)c3C2)CC1 ZINC001171320780 903989017 /nfs/dbraw/zinc/98/90/17/903989017.db2.gz LOKBAVBNQLDNMC-ROUUACIJSA-N 2 2 392.971 3.781 20 0 GHADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2CCc3c(Cl)ccc(OC)c3C2)CC1 ZINC001171320780 903989027 /nfs/dbraw/zinc/98/90/27/903989027.db2.gz LOKBAVBNQLDNMC-ROUUACIJSA-N 2 2 392.971 3.781 20 0 GHADLP Cn1c(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)nc2cc(F)ccc21 ZINC000772995779 904247138 /nfs/dbraw/zinc/24/71/38/904247138.db2.gz FFHKYZUSZUWQJT-UHFFFAOYSA-N 2 2 384.474 3.648 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646756147 914819223 /nfs/dbraw/zinc/81/92/23/914819223.db2.gz CULGQHNISRIJGH-FQEVSTJZSA-N 2 2 392.478 3.507 20 0 GHADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000579341696 904530201 /nfs/dbraw/zinc/53/02/01/904530201.db2.gz LTMKZMDVTONPTQ-DYESRHJHSA-N 2 2 387.955 3.988 20 0 GHADLP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC1 ZINC000889562544 904647135 /nfs/dbraw/zinc/64/71/35/904647135.db2.gz CBLBJHRMOVRGTB-MXVIHJGJSA-N 2 2 387.572 3.568 20 0 GHADLP Cc1cccc2c1CC[C@H](N(c1cccc[nH+]1)[C@@H]1COC3(C1)CC[NH2+]CC3)C2 ZINC001171573648 904842757 /nfs/dbraw/zinc/84/27/57/904842757.db2.gz XESDYXXHNDMACK-SFTDATJTSA-N 2 2 377.532 3.665 20 0 GHADLP CCOC(=O)C1(C)CCC([N@@H+]2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001171953903 905160745 /nfs/dbraw/zinc/16/07/45/905160745.db2.gz XHWSREVXVVFFIH-BXAPWLEFSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)C1(C)CCC([N@H+]2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001171953903 905160753 /nfs/dbraw/zinc/16/07/53/905160753.db2.gz XHWSREVXVVFFIH-BXAPWLEFSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)C1(C)CCC([NH+]2CC[C@@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)CC1 ZINC001171953903 905160758 /nfs/dbraw/zinc/16/07/58/905160758.db2.gz XHWSREVXVVFFIH-BXAPWLEFSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)C1(C)CCC([NH+]2CC[C@@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001171953903 905160765 /nfs/dbraw/zinc/16/07/65/905160765.db2.gz XHWSREVXVVFFIH-BXAPWLEFSA-N 2 2 391.581 3.551 20 0 GHADLP COc1cccnc1N1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171983705 905238134 /nfs/dbraw/zinc/23/81/34/905238134.db2.gz ACXHJSSDQWQIMG-NRFANRHFSA-N 2 2 394.563 3.655 20 0 GHADLP COc1cccnc1N1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171983705 905238144 /nfs/dbraw/zinc/23/81/44/905238144.db2.gz ACXHJSSDQWQIMG-NRFANRHFSA-N 2 2 394.563 3.655 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(Cc3cccc(C(F)(F)F)c3)CC1)C2 ZINC001172129976 905342975 /nfs/dbraw/zinc/34/29/75/905342975.db2.gz MPMFUKUUPNOBEN-PMOLBWCYSA-N 2 2 381.486 3.838 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(Cc3cccc(C(F)(F)F)c3)CC1)C2 ZINC001172129976 905342992 /nfs/dbraw/zinc/34/29/92/905342992.db2.gz MPMFUKUUPNOBEN-PMOLBWCYSA-N 2 2 381.486 3.838 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH+](Cc3ccccc3)C[C@H]1C(F)(F)F)C2 ZINC001172134376 905345951 /nfs/dbraw/zinc/34/59/51/905345951.db2.gz WZRMWNLWMGPVFN-YRPNKDGESA-N 2 2 381.486 3.750 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH+](Cc3ccccc3)C[C@H]1C(F)(F)F)C2 ZINC001172134376 905345967 /nfs/dbraw/zinc/34/59/67/905345967.db2.gz WZRMWNLWMGPVFN-YRPNKDGESA-N 2 2 381.486 3.750 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[N@H+](Cc3ccccc3)C[C@H]1C(F)(F)F)C2 ZINC001172134376 905345979 /nfs/dbraw/zinc/34/59/79/905345979.db2.gz WZRMWNLWMGPVFN-YRPNKDGESA-N 2 2 381.486 3.750 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[N@@H+](Cc3ccccc3)C[C@H]1C(F)(F)F)C2 ZINC001172134376 905345993 /nfs/dbraw/zinc/34/59/93/905345993.db2.gz WZRMWNLWMGPVFN-YRPNKDGESA-N 2 2 381.486 3.750 20 0 GHADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C[C@@H]1C ZINC001172372606 905484055 /nfs/dbraw/zinc/48/40/55/905484055.db2.gz YILRIOJMBIIVIS-LCLWPZTBSA-N 2 2 379.589 3.875 20 0 GHADLP CC(C)COCC[C@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001172481408 905557752 /nfs/dbraw/zinc/55/77/52/905557752.db2.gz RVEHNDPEPNDINX-RBUKOAKNSA-N 2 2 397.604 3.501 20 0 GHADLP CC(C)COCC[C@H](C)[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001172481408 905557760 /nfs/dbraw/zinc/55/77/60/905557760.db2.gz RVEHNDPEPNDINX-RBUKOAKNSA-N 2 2 397.604 3.501 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172641586 905704255 /nfs/dbraw/zinc/70/42/55/905704255.db2.gz GYWIOUDKUPYNFR-UAFMIMERSA-N 2 2 379.589 3.971 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172641586 905704264 /nfs/dbraw/zinc/70/42/64/905704264.db2.gz GYWIOUDKUPYNFR-UAFMIMERSA-N 2 2 379.589 3.971 20 0 GHADLP CCCC[C@@H]1C[C@H]([NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172641586 905704268 /nfs/dbraw/zinc/70/42/68/905704268.db2.gz GYWIOUDKUPYNFR-UAFMIMERSA-N 2 2 379.589 3.971 20 0 GHADLP CCCC[C@@H]1C[C@H]([NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172641586 905704277 /nfs/dbraw/zinc/70/42/77/905704277.db2.gz GYWIOUDKUPYNFR-UAFMIMERSA-N 2 2 379.589 3.971 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H]3Cc4ccc(Cl)cc4C3)CC2)C1 ZINC001172715512 905763112 /nfs/dbraw/zinc/76/31/12/905763112.db2.gz WCOLBNMKECLURG-UTKZUKDTSA-N 2 2 390.955 3.547 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H]3Cc4ccc(Cl)cc4C3)CC2)C1 ZINC001172715512 905763119 /nfs/dbraw/zinc/76/31/19/905763119.db2.gz WCOLBNMKECLURG-UTKZUKDTSA-N 2 2 390.955 3.547 20 0 GHADLP COC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)CC1 ZINC001172778672 905818952 /nfs/dbraw/zinc/81/89/52/905818952.db2.gz NGMIQAUMUVXRMU-HKUYNNGSSA-N 2 2 376.516 3.810 20 0 GHADLP COC(=O)[C@H]1CCC[C@@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001172803308 905875954 /nfs/dbraw/zinc/87/59/54/905875954.db2.gz NTONUBRVQZEHPA-AZUAARDMSA-N 2 2 376.516 3.844 20 0 GHADLP COC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001172803308 905875963 /nfs/dbraw/zinc/87/59/63/905875963.db2.gz NTONUBRVQZEHPA-AZUAARDMSA-N 2 2 376.516 3.844 20 0 GHADLP CC[NH+](CC)C1CCC([NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC1 ZINC001173101078 906188416 /nfs/dbraw/zinc/18/84/16/906188416.db2.gz CMPVKAAEXQCNOU-ABHNRTSZSA-N 2 2 398.588 3.671 20 0 GHADLP CC[NH+](CC)C1CCC([N@@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)CC1 ZINC001173109101 906194809 /nfs/dbraw/zinc/19/48/09/906194809.db2.gz FWLWXIXMBCFDAZ-UHFFFAOYSA-N 3 2 375.605 3.537 20 0 GHADLP CC[NH+](CC)C1CCC([N@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)CC1 ZINC001173109101 906194814 /nfs/dbraw/zinc/19/48/14/906194814.db2.gz FWLWXIXMBCFDAZ-UHFFFAOYSA-N 3 2 375.605 3.537 20 0 GHADLP COc1cccc2c1C[C@H]([NH2+]C1CC[NH+](Cc3cc(F)ccc3C)CC1)CO2 ZINC001173149282 906236820 /nfs/dbraw/zinc/23/68/20/906236820.db2.gz BPKSWEDCLRSAAO-FQEVSTJZSA-N 2 2 384.495 3.700 20 0 GHADLP c1ccc(OC2CCC([NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)CC2)cc1 ZINC001173200333 906284941 /nfs/dbraw/zinc/28/49/41/906284941.db2.gz LIZBNBZAIIOPDO-JDJBWLAASA-N 2 2 377.532 3.835 20 0 GHADLP CCCC[C@@H](CC(C)C)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001173256285 906341076 /nfs/dbraw/zinc/34/10/76/906341076.db2.gz PCTXSUSCKWFXHW-UXHICEINSA-N 2 2 375.605 3.612 20 0 GHADLP CCCC[C@@H](CC(C)C)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001173256285 906341084 /nfs/dbraw/zinc/34/10/84/906341084.db2.gz PCTXSUSCKWFXHW-UXHICEINSA-N 2 2 375.605 3.612 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001173660422 906596792 /nfs/dbraw/zinc/59/67/92/906596792.db2.gz JQHJTQPJCUYSGM-YLJYHZDGSA-N 2 2 376.516 3.844 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001173660422 906596803 /nfs/dbraw/zinc/59/68/03/906596803.db2.gz JQHJTQPJCUYSGM-YLJYHZDGSA-N 2 2 376.516 3.844 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1nc2ccc(Cl)cc2n1C ZINC000180193331 906712127 /nfs/dbraw/zinc/71/21/27/906712127.db2.gz ZCNJWRCDHGGSNE-DJKXOVBDSA-N 2 2 390.959 3.645 20 0 GHADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629541648 906861758 /nfs/dbraw/zinc/86/17/58/906861758.db2.gz SZNYLHYEJGEWRP-NTZNESFSSA-N 2 2 377.838 3.806 20 0 GHADLP c1ccc(C[N@H+]2CCC=C(Nc3ccc(OCC[NH+]4CCOCC4)cc3)C2)cc1 ZINC001174395992 907001767 /nfs/dbraw/zinc/00/17/67/907001767.db2.gz AWTFKGYMDQBGJA-UHFFFAOYSA-N 2 2 393.531 3.599 20 0 GHADLP c1ccc(C[N@@H+]2CCC=C(Nc3ccc(OCC[NH+]4CCOCC4)cc3)C2)cc1 ZINC001174395992 907001792 /nfs/dbraw/zinc/00/17/92/907001792.db2.gz AWTFKGYMDQBGJA-UHFFFAOYSA-N 2 2 393.531 3.599 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)c1 ZINC000181774317 907076841 /nfs/dbraw/zinc/07/68/41/907076841.db2.gz KCYGMQOAEFRWPC-LSDHHAIUSA-N 2 2 397.357 3.609 20 0 GHADLP C[N@H+](CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1CCC1 ZINC000629979055 907084488 /nfs/dbraw/zinc/08/44/88/907084488.db2.gz BJRSIWXIFJYTTA-UHFFFAOYSA-N 2 2 384.351 3.558 20 0 GHADLP C[N@@H+](CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1CCC1 ZINC000629979055 907084507 /nfs/dbraw/zinc/08/45/07/907084507.db2.gz BJRSIWXIFJYTTA-UHFFFAOYSA-N 2 2 384.351 3.558 20 0 GHADLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[NH+]2CCCCCCC2)c1=S ZINC000078565143 907119245 /nfs/dbraw/zinc/11/92/45/907119245.db2.gz HOFYJUAQHDOWPB-UHFFFAOYSA-N 2 2 377.602 3.852 20 0 GHADLP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000366069846 921300977 /nfs/dbraw/zinc/30/09/77/921300977.db2.gz VZMFOPGMJUMMDV-HKUYNNGSSA-N 2 2 388.556 3.676 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000182909470 907288272 /nfs/dbraw/zinc/28/82/72/907288272.db2.gz LDTUFVYHIAUMLR-MSOLQXFVSA-N 2 2 388.556 3.501 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000182909470 907288284 /nfs/dbraw/zinc/28/82/84/907288284.db2.gz LDTUFVYHIAUMLR-MSOLQXFVSA-N 2 2 388.556 3.501 20 0 GHADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070043 907366421 /nfs/dbraw/zinc/36/64/21/907366421.db2.gz KLHHXALHZWSCCF-VXKWHMMOSA-N 2 2 386.971 3.975 20 0 GHADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192104145 907415675 /nfs/dbraw/zinc/41/56/75/907415675.db2.gz BWBNPDCOWVNUEJ-HXUWFJFHSA-N 2 2 397.519 3.660 20 0 GHADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192104145 907415684 /nfs/dbraw/zinc/41/56/84/907415684.db2.gz BWBNPDCOWVNUEJ-HXUWFJFHSA-N 2 2 397.519 3.660 20 0 GHADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000630860945 907478267 /nfs/dbraw/zinc/47/82/67/907478267.db2.gz QXBYHXWDABBEOX-IBGZPJMESA-N 2 2 394.544 3.505 20 0 GHADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000630860945 907478278 /nfs/dbraw/zinc/47/82/78/907478278.db2.gz QXBYHXWDABBEOX-IBGZPJMESA-N 2 2 394.544 3.505 20 0 GHADLP COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000631570475 907760928 /nfs/dbraw/zinc/76/09/28/907760928.db2.gz VFJVYHDSOGKLGD-NRFANRHFSA-N 2 2 382.504 3.531 20 0 GHADLP C[NH+](C)CCCNC(=O)c1ccc(Nc2cc[nH+]c3ccc(Cl)cc23)cc1 ZINC001175820678 907777710 /nfs/dbraw/zinc/77/77/10/907777710.db2.gz WAQIZIOLGVKGOT-UHFFFAOYSA-N 2 2 382.895 3.735 20 0 GHADLP CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)CC1 ZINC000299480364 921362802 /nfs/dbraw/zinc/36/28/02/921362802.db2.gz JZPONOAZBZVDKI-OAQYLSRUSA-N 2 2 380.536 3.516 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000366220082 921387979 /nfs/dbraw/zinc/38/79/79/921387979.db2.gz COEGUVYXEQCOPF-GZGNHOFSSA-N 3 2 392.591 3.794 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000366220082 921387987 /nfs/dbraw/zinc/38/79/87/921387987.db2.gz COEGUVYXEQCOPF-GZGNHOFSSA-N 3 2 392.591 3.794 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000366220082 921387997 /nfs/dbraw/zinc/38/79/97/921387997.db2.gz COEGUVYXEQCOPF-GZGNHOFSSA-N 3 2 392.591 3.794 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366220082 921388009 /nfs/dbraw/zinc/38/80/09/921388009.db2.gz COEGUVYXEQCOPF-GZGNHOFSSA-N 3 2 392.591 3.794 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](c3ccccc3Cl)OC[C@H]2C)CC1 ZINC000191491354 908630700 /nfs/dbraw/zinc/63/07/00/908630700.db2.gz MREFQKSNZXTWKM-WIYYLYMNSA-N 2 2 379.976 3.518 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](c3ccccc3Cl)OC[C@H]2C)CC1 ZINC000191491354 908630704 /nfs/dbraw/zinc/63/07/04/908630704.db2.gz MREFQKSNZXTWKM-WIYYLYMNSA-N 2 2 379.976 3.518 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3nc4cc(F)ccc4o3)cc2)C[C@H](C)O1 ZINC000634950883 909088537 /nfs/dbraw/zinc/08/85/37/909088537.db2.gz GLUIUCKLWGXYDE-IYBDPMFKSA-N 2 2 383.467 3.866 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3nc4cc(F)ccc4o3)cc2)C[C@H](C)O1 ZINC000634950883 909088557 /nfs/dbraw/zinc/08/85/57/909088557.db2.gz GLUIUCKLWGXYDE-IYBDPMFKSA-N 2 2 383.467 3.866 20 0 GHADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3nc4cc(F)ccc4o3)cc2)C[C@H](C)O1 ZINC000634950881 909089641 /nfs/dbraw/zinc/08/96/41/909089641.db2.gz GLUIUCKLWGXYDE-HOTGVXAUSA-N 2 2 383.467 3.866 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635141471 909155801 /nfs/dbraw/zinc/15/58/01/909155801.db2.gz SSHWDUVCVXCLKB-QGZVFWFLSA-N 2 2 382.430 3.535 20 0 GHADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000635483403 909267835 /nfs/dbraw/zinc/26/78/35/909267835.db2.gz DDCXCSCKAYVJFX-MSOLQXFVSA-N 2 2 394.441 3.720 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000635656420 909317390 /nfs/dbraw/zinc/31/73/90/909317390.db2.gz LRANFBVMKBQWNM-KBAYOESNSA-N 2 2 394.441 3.546 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000635656420 909317404 /nfs/dbraw/zinc/31/74/04/909317404.db2.gz LRANFBVMKBQWNM-KBAYOESNSA-N 2 2 394.441 3.546 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cccc2[nH]c(=O)oc21 ZINC001179498136 909570887 /nfs/dbraw/zinc/57/08/87/909570887.db2.gz WAGLSCZDARISAQ-UHFFFAOYSA-N 2 2 379.464 3.837 20 0 GHADLP COc1cc2c(cc1OC)[C@@H]([N@H+](C)C1CC[NH+](CCc3ccccn3)CC1)CC2 ZINC000637983556 910020968 /nfs/dbraw/zinc/02/09/68/910020968.db2.gz PRWGUWDFKPCBCE-QFIPXVFZSA-N 2 2 395.547 3.725 20 0 GHADLP COc1cc2c(cc1OC)[C@@H]([N@@H+](C)C1CC[NH+](CCc3ccccn3)CC1)CC2 ZINC000637983556 910020981 /nfs/dbraw/zinc/02/09/81/910020981.db2.gz PRWGUWDFKPCBCE-QFIPXVFZSA-N 2 2 395.547 3.725 20 0 GHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268811766 910029816 /nfs/dbraw/zinc/02/98/16/910029816.db2.gz DJRXIQHBCXQRLS-CQSZACIVSA-N 2 2 383.464 3.621 20 0 GHADLP Cc1nccn1-c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000268826370 910034857 /nfs/dbraw/zinc/03/48/57/910034857.db2.gz ZEYCBFWEHUTMST-AVRDEDQJSA-N 2 2 375.520 3.576 20 0 GHADLP Cc1nccn1-c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000268826370 910034865 /nfs/dbraw/zinc/03/48/65/910034865.db2.gz ZEYCBFWEHUTMST-AVRDEDQJSA-N 2 2 375.520 3.576 20 0 GHADLP COc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)c21 ZINC000245997717 910043114 /nfs/dbraw/zinc/04/31/14/910043114.db2.gz RLLHGVKXZNTPCM-YLJYHZDGSA-N 2 2 378.520 3.614 20 0 GHADLP COc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)c21 ZINC000245997717 910043119 /nfs/dbraw/zinc/04/31/19/910043119.db2.gz RLLHGVKXZNTPCM-YLJYHZDGSA-N 2 2 378.520 3.614 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1)c1ccccc1Cl ZINC001274450557 910063857 /nfs/dbraw/zinc/06/38/57/910063857.db2.gz BPXNLRFNVNLVNS-QKLQHJQFSA-N 2 2 377.960 3.523 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1)c1ccccc1Cl ZINC001274450557 910063871 /nfs/dbraw/zinc/06/38/71/910063871.db2.gz BPXNLRFNVNLVNS-QKLQHJQFSA-N 2 2 377.960 3.523 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001274451097 910067535 /nfs/dbraw/zinc/06/75/35/910067535.db2.gz KWRVRONQFWINGQ-FPOVZHCZSA-N 2 2 377.960 3.667 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001274451097 910067551 /nfs/dbraw/zinc/06/75/51/910067551.db2.gz KWRVRONQFWINGQ-FPOVZHCZSA-N 2 2 377.960 3.667 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCCN1c1cccnc1 ZINC000639038591 910295225 /nfs/dbraw/zinc/29/52/25/910295225.db2.gz LQDLXZKRQPOTDE-WWPVKYPJSA-N 2 2 390.531 3.535 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCCN1c1cccnc1 ZINC000639038591 910295240 /nfs/dbraw/zinc/29/52/40/910295240.db2.gz LQDLXZKRQPOTDE-WWPVKYPJSA-N 2 2 390.531 3.535 20 0 GHADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001274485340 910334870 /nfs/dbraw/zinc/33/48/70/910334870.db2.gz DNBSPEZRRJWOFJ-ZCNNSNEGSA-N 2 2 375.944 3.562 20 0 GHADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001274485340 910334888 /nfs/dbraw/zinc/33/48/88/910334888.db2.gz DNBSPEZRRJWOFJ-ZCNNSNEGSA-N 2 2 375.944 3.562 20 0 GHADLP CO[C@H](C[N@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)[C@@H]1CCOC1 ZINC000639167907 910338182 /nfs/dbraw/zinc/33/81/82/910338182.db2.gz MLZQZOSIYRUMLF-OXQOHEQNSA-N 2 2 395.906 3.619 20 0 GHADLP CO[C@H](C[N@@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)[C@@H]1CCOC1 ZINC000639167907 910338198 /nfs/dbraw/zinc/33/81/98/910338198.db2.gz MLZQZOSIYRUMLF-OXQOHEQNSA-N 2 2 395.906 3.619 20 0 GHADLP Fc1ccc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)cc1C[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639776775 910657362 /nfs/dbraw/zinc/65/73/62/910657362.db2.gz FRNJAKCMDPBNNG-YADHBBJMSA-N 2 2 394.498 3.946 20 0 GHADLP Fc1ccc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)cc1C[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639776775 910657372 /nfs/dbraw/zinc/65/73/72/910657372.db2.gz FRNJAKCMDPBNNG-YADHBBJMSA-N 2 2 394.498 3.946 20 0 GHADLP Fc1ccc(C[NH+]2CCC[C@@H]2c2cn[nH]c2)cc1C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639776775 910657375 /nfs/dbraw/zinc/65/73/75/910657375.db2.gz FRNJAKCMDPBNNG-YADHBBJMSA-N 2 2 394.498 3.946 20 0 GHADLP Fc1ccc(C[NH+]2CCC[C@@H]2c2cn[nH]c2)cc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639776775 910657379 /nfs/dbraw/zinc/65/73/79/910657379.db2.gz FRNJAKCMDPBNNG-YADHBBJMSA-N 2 2 394.498 3.946 20 0 GHADLP COC(=O)[C@@H](C)Oc1ccccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001181506492 910808302 /nfs/dbraw/zinc/80/83/02/910808302.db2.gz RAIHDNYKFSIFFF-GOSISDBHSA-N 2 2 385.508 3.516 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2cc(C[NH+](C)C)ccn2)c(C)c1 ZINC000640568064 911069892 /nfs/dbraw/zinc/06/98/92/911069892.db2.gz OCJXIEHUOVBCTC-FQEVSTJZSA-N 2 2 392.507 3.520 20 0 GHADLP CCC[NH+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3Cl)[NH+](CC)CC)C[C@H]2C1 ZINC001182219851 911309821 /nfs/dbraw/zinc/30/98/21/911309821.db2.gz CPXPSCQJXLVEBE-HLIPFELVSA-N 2 2 377.960 3.523 20 0 GHADLP Cn1c2ccc(F)cc2nc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000774253975 911563552 /nfs/dbraw/zinc/56/35/52/911563552.db2.gz PFSUAMIGUGUVHV-ACDBMABISA-N 2 2 378.495 3.998 20 0 GHADLP Cn1c2ccc(F)cc2nc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000774253975 911563561 /nfs/dbraw/zinc/56/35/61/911563561.db2.gz PFSUAMIGUGUVHV-ACDBMABISA-N 2 2 378.495 3.998 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CC2(C[C@@H]2NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001183035850 912208746 /nfs/dbraw/zinc/20/87/46/912208746.db2.gz KRYZHKCSKLLUST-ZVLZEYJHSA-N 2 2 396.535 3.739 20 0 GHADLP CCN(C(=O)C[C@@H]1C[N@H+](C(c2ccccc2)c2ccccc2)[C@@H]1C)C1C[NH+](C)C1 ZINC001186945259 914883908 /nfs/dbraw/zinc/88/39/08/914883908.db2.gz AIMVABAHUHXNOH-DENIHFKCSA-N 2 2 391.559 3.649 20 0 GHADLP CCN(C(=O)C[C@@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@@H]1C)C1C[NH+](C)C1 ZINC001186945259 914883924 /nfs/dbraw/zinc/88/39/24/914883924.db2.gz AIMVABAHUHXNOH-DENIHFKCSA-N 2 2 391.559 3.649 20 0 GHADLP COc1ccc2c(C[N@@H+]3CCC[C@@H](C[NH+]4CCCC[C@H]4C)C3)cc(=O)oc2c1 ZINC000303533719 914910513 /nfs/dbraw/zinc/91/05/13/914910513.db2.gz FEJIJRUEXLKIIT-QZTJIDSGSA-N 2 2 384.520 3.888 20 0 GHADLP COc1ccc2c(C[N@H+]3CCC[C@@H](C[NH+]4CCCC[C@H]4C)C3)cc(=O)oc2c1 ZINC000303533719 914910518 /nfs/dbraw/zinc/91/05/18/914910518.db2.gz FEJIJRUEXLKIIT-QZTJIDSGSA-N 2 2 384.520 3.888 20 0 GHADLP COc1ccc2c(C[NH+]3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)cc(=O)oc2c1 ZINC000303533719 914910527 /nfs/dbraw/zinc/91/05/27/914910527.db2.gz FEJIJRUEXLKIIT-QZTJIDSGSA-N 2 2 384.520 3.888 20 0 GHADLP COc1ccc2c(C[NH+]3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)cc(=O)oc2c1 ZINC000303533719 914910535 /nfs/dbraw/zinc/91/05/35/914910535.db2.gz FEJIJRUEXLKIIT-QZTJIDSGSA-N 2 2 384.520 3.888 20 0 GHADLP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000291041696 914934968 /nfs/dbraw/zinc/93/49/68/914934968.db2.gz HGHMKIFQKHBZLA-RTWAWAEBSA-N 2 2 395.551 3.601 20 0 GHADLP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000291041696 914934977 /nfs/dbraw/zinc/93/49/77/914934977.db2.gz HGHMKIFQKHBZLA-RTWAWAEBSA-N 2 2 395.551 3.601 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc2n(n1)CCCC2 ZINC000647288197 915136196 /nfs/dbraw/zinc/13/61/96/915136196.db2.gz RYTQKVXGTQAPEM-IAGOWNOFSA-N 2 2 385.531 3.522 20 0 GHADLP FC(F)(F)c1ccc(Cn2cc(C[N@H+](C3CC3)C3CC[NH2+]CC3)cn2)cc1 ZINC000647482579 915297049 /nfs/dbraw/zinc/29/70/49/915297049.db2.gz QSLPGOFUHYMSCP-UHFFFAOYSA-N 2 2 378.442 3.667 20 0 GHADLP FC(F)(F)c1ccc(Cn2cc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)cn2)cc1 ZINC000647482579 915297056 /nfs/dbraw/zinc/29/70/56/915297056.db2.gz QSLPGOFUHYMSCP-UHFFFAOYSA-N 2 2 378.442 3.667 20 0 GHADLP [NH3+]C[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000647829615 915401472 /nfs/dbraw/zinc/40/14/72/915401472.db2.gz DFWDGKHHWNZACS-SCLBCKFNSA-N 2 2 378.303 3.954 20 0 GHADLP [NH3+]C[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000647829615 915401482 /nfs/dbraw/zinc/40/14/82/915401482.db2.gz DFWDGKHHWNZACS-SCLBCKFNSA-N 2 2 378.303 3.954 20 0 GHADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000647956626 915453247 /nfs/dbraw/zinc/45/32/47/915453247.db2.gz QYZWJXDSYSVWNL-ICSRJNTNSA-N 2 2 396.362 3.732 20 0 GHADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000647956626 915453259 /nfs/dbraw/zinc/45/32/59/915453259.db2.gz QYZWJXDSYSVWNL-ICSRJNTNSA-N 2 2 396.362 3.732 20 0 GHADLP C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000294888619 917033332 /nfs/dbraw/zinc/03/33/32/917033332.db2.gz DUXRQPADXSRVHW-DYESRHJHSA-N 2 2 396.510 3.531 20 0 GHADLP COCCOCc1ccc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)cc1 ZINC000296117884 917867226 /nfs/dbraw/zinc/86/72/26/917867226.db2.gz SVQFHVOPLJOBGC-UHFFFAOYSA-N 2 2 385.895 3.979 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)CCc2nc3ccccc3c(=O)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000363239672 917961013 /nfs/dbraw/zinc/96/10/13/917961013.db2.gz ZHJIYNJRJSOBOX-ICSRJNTNSA-N 2 2 390.531 3.863 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)CCc2nc3ccccc3c(=O)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000363239672 917961022 /nfs/dbraw/zinc/96/10/22/917961022.db2.gz ZHJIYNJRJSOBOX-ICSRJNTNSA-N 2 2 390.531 3.863 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)CCc2nc3ccccc3c(=O)[nH]2)CC[NH+]1Cc1ccccc1 ZINC000363239672 917961032 /nfs/dbraw/zinc/96/10/32/917961032.db2.gz ZHJIYNJRJSOBOX-ICSRJNTNSA-N 2 2 390.531 3.863 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)CCc2nc3ccccc3c(=O)[nH]2)CC[NH+]1Cc1ccccc1 ZINC000363239672 917961045 /nfs/dbraw/zinc/96/10/45/917961045.db2.gz ZHJIYNJRJSOBOX-ICSRJNTNSA-N 2 2 390.531 3.863 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CCCCC2)[C@@H](C)C1 ZINC001191601410 918091619 /nfs/dbraw/zinc/09/16/19/918091619.db2.gz NPNYHKWANCSOOD-UNMCSNQZSA-N 2 2 385.596 3.667 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CCCCC2)[C@@H](C)C1 ZINC001191601410 918091632 /nfs/dbraw/zinc/09/16/32/918091632.db2.gz NPNYHKWANCSOOD-UNMCSNQZSA-N 2 2 385.596 3.667 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCC2(c3ccccc3)CCCCC2)[C@@H](C)C1 ZINC001191601410 918091646 /nfs/dbraw/zinc/09/16/46/918091646.db2.gz NPNYHKWANCSOOD-UNMCSNQZSA-N 2 2 385.596 3.667 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCC2(c3ccccc3)CCCCC2)[C@@H](C)C1 ZINC001191601410 918091657 /nfs/dbraw/zinc/09/16/57/918091657.db2.gz NPNYHKWANCSOOD-UNMCSNQZSA-N 2 2 385.596 3.667 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001192251489 918538042 /nfs/dbraw/zinc/53/80/42/918538042.db2.gz BGBXAHZCFRTHLR-VXKWHMMOSA-N 2 2 393.575 3.614 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001192251489 918538057 /nfs/dbraw/zinc/53/80/57/918538057.db2.gz BGBXAHZCFRTHLR-VXKWHMMOSA-N 2 2 393.575 3.614 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000297926507 919968251 /nfs/dbraw/zinc/96/82/51/919968251.db2.gz XKHBCARQTLTPFG-SXLOBPIMSA-N 2 2 385.939 3.585 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000297926507 919968267 /nfs/dbraw/zinc/96/82/67/919968267.db2.gz XKHBCARQTLTPFG-SXLOBPIMSA-N 2 2 385.939 3.585 20 0 GHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469447 922220280 /nfs/dbraw/zinc/22/02/80/922220280.db2.gz QTMJLEFIYFMJPU-VDYMJLGFSA-N 2 2 375.822 3.558 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902749239 922461919 /nfs/dbraw/zinc/46/19/19/922461919.db2.gz RFYUSEIYVITWNV-GUDVDZBRSA-N 2 2 391.519 3.732 20 0 GHADLP O=C(Nc1cccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1)c1ccccc1Cl ZINC000368091596 922469421 /nfs/dbraw/zinc/46/94/21/922469421.db2.gz WZVBEDPJRXZXCC-OAHLLOKOSA-N 2 2 380.879 3.963 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902981813 922678707 /nfs/dbraw/zinc/67/87/07/922678707.db2.gz FMBDSCFECVANCU-XLIONFOSSA-N 2 2 375.476 3.829 20 0 GHADLP CC(C)(C)OC(=O)NCCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000902993671 922694702 /nfs/dbraw/zinc/69/47/02/922694702.db2.gz VLDITXQQRLRDET-ROUUACIJSA-N 2 2 384.524 3.903 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(SC(F)F)cc2)CC1 ZINC000748989438 923961915 /nfs/dbraw/zinc/96/19/15/923961915.db2.gz KUOWZLMMTQVSPC-IAGOWNOFSA-N 2 2 383.552 3.992 20 0 GHADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3c(OC(F)F)ccc4ccccc43)CC2)C1 ZINC000678258693 924692980 /nfs/dbraw/zinc/69/29/80/924692980.db2.gz JYQWFHXWTAWXQQ-GOSISDBHSA-N 2 2 389.490 3.653 20 0 GHADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3c(OC(F)F)ccc4ccccc43)CC2)C1 ZINC000678258693 924692985 /nfs/dbraw/zinc/69/29/85/924692985.db2.gz JYQWFHXWTAWXQQ-GOSISDBHSA-N 2 2 389.490 3.653 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)c(C)c1 ZINC000678603967 924837308 /nfs/dbraw/zinc/83/73/08/924837308.db2.gz RBUVNFGWLAQDEE-XMSQKQJNSA-N 2 2 387.491 3.568 20 0 GHADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000678791319 924923854 /nfs/dbraw/zinc/92/38/54/924923854.db2.gz SSNJIMBFYCCCJI-DVECYGJZSA-N 2 2 375.516 3.892 20 0 GHADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000678791319 924923859 /nfs/dbraw/zinc/92/38/59/924923859.db2.gz SSNJIMBFYCCCJI-DVECYGJZSA-N 2 2 375.516 3.892 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc2c(ccc3ccccc23)o1 ZINC000678926923 924975404 /nfs/dbraw/zinc/97/54/04/924975404.db2.gz DBCPSJANDRFWCY-UYAOXDASSA-N 2 2 393.531 3.643 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000372485101 925471293 /nfs/dbraw/zinc/47/12/93/925471293.db2.gz ASQGKVCXNYLCDF-PMACEKPBSA-N 2 2 392.975 3.601 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000372485101 925471295 /nfs/dbraw/zinc/47/12/95/925471295.db2.gz ASQGKVCXNYLCDF-PMACEKPBSA-N 2 2 392.975 3.601 20 0 GHADLP COc1cccc2c1CC[C@H]([NH2+]C1CC([NH+]3CCC(C(F)(F)F)CC3)C1)C2 ZINC000373478234 926173260 /nfs/dbraw/zinc/17/32/60/926173260.db2.gz FFOIZVKIOUPOPM-AOCRQIFASA-N 2 2 382.470 3.947 20 0 GHADLP Fc1cccc([C@@H]2C[C@@H]2[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000411723579 926692010 /nfs/dbraw/zinc/69/20/10/926692010.db2.gz XAZNAUTXPGDXPG-HJOGWXRNSA-N 2 2 379.523 3.574 20 0 GHADLP Fc1cccc([C@@H]2C[C@@H]2[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000411723579 926692019 /nfs/dbraw/zinc/69/20/19/926692019.db2.gz XAZNAUTXPGDXPG-HJOGWXRNSA-N 2 2 379.523 3.574 20 0 GHADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000749590325 927204971 /nfs/dbraw/zinc/20/49/71/927204971.db2.gz PHIDDYGORJNEGW-DZFGPLHGSA-N 2 2 387.568 3.585 20 0 GHADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000749590325 927204979 /nfs/dbraw/zinc/20/49/79/927204979.db2.gz PHIDDYGORJNEGW-DZFGPLHGSA-N 2 2 387.568 3.585 20 0 GHADLP Cc1ccc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c(N(C)C)[nH+]1 ZINC000750386333 927595753 /nfs/dbraw/zinc/59/57/53/927595753.db2.gz DPGRXXZWXDAACR-GOSISDBHSA-N 2 2 387.572 3.964 20 0 GHADLP Cc1ccc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(N(C)C)[nH+]1 ZINC000750386333 927595768 /nfs/dbraw/zinc/59/57/68/927595768.db2.gz DPGRXXZWXDAACR-GOSISDBHSA-N 2 2 387.572 3.964 20 0 GHADLP O=C1[C@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCN1c1cccc(Cl)c1 ZINC000543987737 928650496 /nfs/dbraw/zinc/65/04/96/928650496.db2.gz HCUGBSCPZBRNCH-HXUWFJFHSA-N 2 2 386.927 3.834 20 0 GHADLP CCS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)c1 ZINC000467422255 929054981 /nfs/dbraw/zinc/05/49/81/929054981.db2.gz ZNHBQCJDRUTEBL-UTKZUKDTSA-N 2 2 378.582 3.613 20 0 GHADLP C[C@@H](C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000469397741 929848475 /nfs/dbraw/zinc/84/84/75/929848475.db2.gz OMCWWPJUMWWIAK-QTEQDKRBSA-N 2 2 394.563 3.636 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000546619084 930300182 /nfs/dbraw/zinc/30/01/82/930300182.db2.gz QGAIHFFSNLQVLC-UHFFFAOYSA-N 2 2 380.532 3.826 20 0 GHADLP C[NH+](C)[C@]1(C[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)c3ccccc32)CCSC1 ZINC000780725029 930586176 /nfs/dbraw/zinc/58/61/76/930586176.db2.gz OJSGIBWKULTFFA-UEXGIBASSA-N 2 2 391.581 3.724 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cccnc3OCC(F)F)CC2)cc1 ZINC000557266923 931311417 /nfs/dbraw/zinc/31/14/17/931311417.db2.gz YKOSOUDHWSKMKJ-UHFFFAOYSA-N 2 2 393.453 3.661 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)c1ccccc1Cl ZINC000557434540 931424837 /nfs/dbraw/zinc/42/48/37/931424837.db2.gz ZTSBGDKWUUKAMB-OXQOHEQNSA-N 2 2 388.943 3.607 20 0 GHADLP CC(C)[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)c1ccccn1)N1CC[NH+](C)CC1 ZINC000924630265 931455573 /nfs/dbraw/zinc/45/55/73/931455573.db2.gz AEYUWIMIJFPQJZ-FCHUYYIVSA-N 2 2 386.971 3.686 20 0 GHADLP CC[NH+]1CCN(CCCC[NH2+][C@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924663144 931467102 /nfs/dbraw/zinc/46/71/02/931467102.db2.gz YXHKIRKKRNOOOO-DEOSSOPVSA-N 2 2 392.547 3.925 20 0 GHADLP CCN1CC[NH+](CCCC[NH2+][C@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924663144 931467106 /nfs/dbraw/zinc/46/71/06/931467106.db2.gz YXHKIRKKRNOOOO-DEOSSOPVSA-N 2 2 392.547 3.925 20 0 GHADLP COc1ccccc1[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccccn1 ZINC000924705709 931481067 /nfs/dbraw/zinc/48/10/67/931481067.db2.gz ZHCDCIBPVYFIPP-DEOSSOPVSA-N 2 2 391.515 3.910 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@]3(O)CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000783308154 931516668 /nfs/dbraw/zinc/51/66/68/931516668.db2.gz BMGOQJWZQMKDHM-OXJNMPFZSA-N 2 2 399.501 3.795 20 0 GHADLP CCC[C@H](Cc1ccccc1)[N@H+](CCC)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783979184 931739242 /nfs/dbraw/zinc/73/92/42/931739242.db2.gz PRAAORAPRAIECC-NHCUHLMSSA-N 2 2 382.552 3.817 20 0 GHADLP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783979184 931739248 /nfs/dbraw/zinc/73/92/48/931739248.db2.gz PRAAORAPRAIECC-NHCUHLMSSA-N 2 2 382.552 3.817 20 0 GHADLP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cc(-c2ccccc2)no1 ZINC000926436625 932181769 /nfs/dbraw/zinc/18/17/69/932181769.db2.gz YHNYFPZSFFPVNH-KRWDZBQOSA-N 2 2 380.492 3.918 20 0 GHADLP C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000558736815 932201937 /nfs/dbraw/zinc/20/19/37/932201937.db2.gz VLGZSCRDFIYDOT-AUSIDOKSSA-N 2 2 391.559 3.855 20 0 GHADLP C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000558736815 932201944 /nfs/dbraw/zinc/20/19/44/932201944.db2.gz VLGZSCRDFIYDOT-AUSIDOKSSA-N 2 2 391.559 3.855 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000558737424 932202402 /nfs/dbraw/zinc/20/24/02/932202402.db2.gz BNFYGAVVTUDAEP-FQEVSTJZSA-N 2 2 387.474 3.794 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000558737424 932202409 /nfs/dbraw/zinc/20/24/09/932202409.db2.gz BNFYGAVVTUDAEP-FQEVSTJZSA-N 2 2 387.474 3.794 20 0 GHADLP C[C@H]1CCCN1C(=O)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000558738282 932203113 /nfs/dbraw/zinc/20/31/13/932203113.db2.gz UVQCSOAPNQASIO-NKKJXINNSA-N 2 2 391.559 3.645 20 0 GHADLP C[C@H]1CCCN1C(=O)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000558738282 932203119 /nfs/dbraw/zinc/20/31/19/932203119.db2.gz UVQCSOAPNQASIO-NKKJXINNSA-N 2 2 391.559 3.645 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000798935055 932823469 /nfs/dbraw/zinc/82/34/69/932823469.db2.gz KKXDMVUPTQSUED-XWGVYQGASA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000798935055 932823470 /nfs/dbraw/zinc/82/34/70/932823470.db2.gz KKXDMVUPTQSUED-XWGVYQGASA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000798935055 932823474 /nfs/dbraw/zinc/82/34/74/932823474.db2.gz KKXDMVUPTQSUED-XWGVYQGASA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000798935055 932823479 /nfs/dbraw/zinc/82/34/79/932823479.db2.gz KKXDMVUPTQSUED-XWGVYQGASA-N 3 2 387.612 3.625 20 0 GHADLP CC(C)COc1ccccc1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000560102014 933065237 /nfs/dbraw/zinc/06/52/37/933065237.db2.gz MDHOILYQCHNDAH-QHCPKHFHSA-N 2 2 381.564 3.800 20 0 GHADLP C[C@@H](c1cccc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000560742796 933519007 /nfs/dbraw/zinc/51/90/07/933519007.db2.gz FYIALKFLCQDDSX-PGRDOPGGSA-N 2 2 396.535 3.504 20 0 GHADLP C[N@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929794464 933636606 /nfs/dbraw/zinc/63/66/06/933636606.db2.gz HJFQPCQJJFOOCI-RBUKOAKNSA-N 2 2 385.474 3.520 20 0 GHADLP C[N@@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929794464 933636608 /nfs/dbraw/zinc/63/66/08/933636608.db2.gz HJFQPCQJJFOOCI-RBUKOAKNSA-N 2 2 385.474 3.520 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1cccc(Br)c1C ZINC001116761442 933742960 /nfs/dbraw/zinc/74/29/60/933742960.db2.gz CLVDUVDBVOHCAD-UHFFFAOYSA-N 2 2 385.265 3.828 20 0 GHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@@H]2CCC3(COC3)O2)CC1 ZINC000930072631 933812876 /nfs/dbraw/zinc/81/28/76/933812876.db2.gz TVBSDPFOLGQSEJ-IBGZPJMESA-N 2 2 398.469 3.550 20 0 GHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@@H]2CCC3(COC3)O2)CC1 ZINC000930072631 933812881 /nfs/dbraw/zinc/81/28/81/933812881.db2.gz TVBSDPFOLGQSEJ-IBGZPJMESA-N 2 2 398.469 3.550 20 0 GHADLP CN1CC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC001117697082 933986047 /nfs/dbraw/zinc/98/60/47/933986047.db2.gz GYHNZOVSWJRQTJ-RPWUZVMVSA-N 2 2 396.554 3.896 20 0 GHADLP Cc1cc(NC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c(C)c[nH+]1 ZINC000930626625 934149815 /nfs/dbraw/zinc/14/98/15/934149815.db2.gz YLZRQJFRNDLAFK-UHFFFAOYSA-N 2 2 378.520 3.739 20 0 GHADLP C[NH+](Cc1c(F)cncc1F)[C@H]1CC[C@H]([N@H+](C)Cc2c(F)cncc2F)CC1 ZINC000931737599 934701812 /nfs/dbraw/zinc/70/18/12/934701812.db2.gz KPLUNGUZZROXLN-HDJSIYSDSA-N 2 2 396.432 3.908 20 0 GHADLP C[NH+](Cc1c(F)cncc1F)[C@H]1CC[C@H]([N@@H+](C)Cc2c(F)cncc2F)CC1 ZINC000931737599 934701817 /nfs/dbraw/zinc/70/18/17/934701817.db2.gz KPLUNGUZZROXLN-HDJSIYSDSA-N 2 2 396.432 3.908 20 0 GHADLP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000562206050 934758845 /nfs/dbraw/zinc/75/88/45/934758845.db2.gz LEVZQENIZYEQAE-PHKMIBKXSA-N 2 2 393.522 3.793 20 0 GHADLP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000562206050 934758848 /nfs/dbraw/zinc/75/88/48/934758848.db2.gz LEVZQENIZYEQAE-PHKMIBKXSA-N 2 2 393.522 3.793 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ncc(Br)cc1F ZINC000187005971 1014588700 /nfs/dbraw/zinc/58/87/00/1014588700.db2.gz FKYBKIMERVHZOH-GFCCVEGCSA-N 2 2 379.277 3.698 20 0 GHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000468109002 1015276007 /nfs/dbraw/zinc/27/60/07/1015276007.db2.gz HNOFBVGTGFUVOM-UHFFFAOYSA-N 2 2 397.544 3.556 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCc2sccc2C1 ZINC000468501927 1015758115 /nfs/dbraw/zinc/75/81/15/1015758115.db2.gz OGSIPDOLBHNAEL-RXVVDRJESA-N 2 2 397.588 3.666 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCc2sccc2C1 ZINC000468501927 1015758118 /nfs/dbraw/zinc/75/81/18/1015758118.db2.gz OGSIPDOLBHNAEL-RXVVDRJESA-N 2 2 397.588 3.666 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000468501927 1015758123 /nfs/dbraw/zinc/75/81/23/1015758123.db2.gz OGSIPDOLBHNAEL-RXVVDRJESA-N 2 2 397.588 3.666 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000468501927 1015758128 /nfs/dbraw/zinc/75/81/28/1015758128.db2.gz OGSIPDOLBHNAEL-RXVVDRJESA-N 2 2 397.588 3.666 20 0 GHADLP CCc1[nH+]ccn1CCNC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC001154616701 1032213325 /nfs/dbraw/zinc/21/33/25/1032213325.db2.gz YELLRXSBVHEUIA-GOSISDBHSA-N 2 2 396.457 3.664 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001221424842 1032410061 /nfs/dbraw/zinc/41/00/61/1032410061.db2.gz MJPNALZUGMREDJ-IBGZPJMESA-N 2 2 399.514 3.608 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001221424842 1032410065 /nfs/dbraw/zinc/41/00/65/1032410065.db2.gz MJPNALZUGMREDJ-IBGZPJMESA-N 2 2 399.514 3.608 20 0 GHADLP COc1cc2cc[nH+]c(N3CC[N@@H+]4CCc5ccccc5[C@H]4C3)c2cc1OC ZINC001155094458 1032411672 /nfs/dbraw/zinc/41/16/72/1032411672.db2.gz CAKRJRLAQNCUNU-HXUWFJFHSA-N 2 2 375.472 3.671 20 0 GHADLP COc1cc2cc[nH+]c(N3CC[N@H+]4CCc5ccccc5[C@H]4C3)c2cc1OC ZINC001155094458 1032411682 /nfs/dbraw/zinc/41/16/82/1032411682.db2.gz CAKRJRLAQNCUNU-HXUWFJFHSA-N 2 2 375.472 3.671 20 0 GHADLP C[NH+]1CCN(c2cccc(N3CCC(n4ccc5ccccc54)CC3)[nH+]2)CC1 ZINC001155252937 1032472252 /nfs/dbraw/zinc/47/22/52/1032472252.db2.gz DWWGXEKWWNDTSP-UHFFFAOYSA-N 2 2 375.520 3.630 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000558492575 1017214221 /nfs/dbraw/zinc/21/42/21/1017214221.db2.gz LHRIFBWASINEHF-JOCHJYFZSA-N 3 2 389.547 3.968 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000558566559 1017230444 /nfs/dbraw/zinc/23/04/44/1017230444.db2.gz PWUOANPXUDGLKZ-WMZOPIPTSA-N 2 2 384.467 3.740 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000558566559 1017230452 /nfs/dbraw/zinc/23/04/52/1017230452.db2.gz PWUOANPXUDGLKZ-WMZOPIPTSA-N 2 2 384.467 3.740 20 0 GHADLP CCCCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000560584205 1017670911 /nfs/dbraw/zinc/67/09/11/1017670911.db2.gz JACYCGXNLHSNSY-XSLAUPDRSA-N 2 2 387.568 3.600 20 0 GHADLP CCCCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000560584205 1017670917 /nfs/dbraw/zinc/67/09/17/1017670917.db2.gz JACYCGXNLHSNSY-XSLAUPDRSA-N 2 2 387.568 3.600 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC001204289040 1032728000 /nfs/dbraw/zinc/72/80/00/1032728000.db2.gz YFHCRHDRSPVMIB-QFBILLFUSA-N 2 2 396.453 3.941 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC001204289040 1032728021 /nfs/dbraw/zinc/72/80/21/1032728021.db2.gz YFHCRHDRSPVMIB-QFBILLFUSA-N 2 2 396.453 3.941 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC001204289040 1032728036 /nfs/dbraw/zinc/72/80/36/1032728036.db2.gz YFHCRHDRSPVMIB-QFBILLFUSA-N 2 2 396.453 3.941 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC001204289040 1032728055 /nfs/dbraw/zinc/72/80/55/1032728055.db2.gz YFHCRHDRSPVMIB-QFBILLFUSA-N 2 2 396.453 3.941 20 0 GHADLP CC(C)[C@H]1N(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC12CCCCCC2 ZINC001228041562 1032748839 /nfs/dbraw/zinc/74/88/39/1032748839.db2.gz AFVSAEGHSKGGGX-TZIWHRDSSA-N 2 2 390.616 3.545 20 0 GHADLP CC(C)[C@H]1N(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC12CCCCCC2 ZINC001228041562 1032748856 /nfs/dbraw/zinc/74/88/56/1032748856.db2.gz AFVSAEGHSKGGGX-TZIWHRDSSA-N 2 2 390.616 3.545 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CC[NH+](C)[C@H](c4ccccc4)C3)c2)CCO1 ZINC000564230732 1019035522 /nfs/dbraw/zinc/03/55/22/1019035522.db2.gz GZVJXLFCMUMQNI-YNJKOYDBSA-N 3 2 393.575 3.832 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CC[NH+](C)[C@H](c4ccccc4)C3)c2)CCO1 ZINC000564230732 1019035535 /nfs/dbraw/zinc/03/55/35/1019035535.db2.gz GZVJXLFCMUMQNI-YNJKOYDBSA-N 3 2 393.575 3.832 20 0 GHADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)c2)CCO1 ZINC000564230732 1019035541 /nfs/dbraw/zinc/03/55/41/1019035541.db2.gz GZVJXLFCMUMQNI-YNJKOYDBSA-N 3 2 393.575 3.832 20 0 GHADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)c2)CCO1 ZINC000564230732 1019035557 /nfs/dbraw/zinc/03/55/57/1019035557.db2.gz GZVJXLFCMUMQNI-YNJKOYDBSA-N 3 2 393.575 3.832 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cccc(Cl)c1 ZINC001155997985 1032829819 /nfs/dbraw/zinc/82/98/19/1032829819.db2.gz NTJBCFCIQXGMOY-WOJBJXKFSA-N 2 2 377.960 3.856 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1cccc(Cl)c1 ZINC001155997985 1032829825 /nfs/dbraw/zinc/82/98/25/1032829825.db2.gz NTJBCFCIQXGMOY-WOJBJXKFSA-N 2 2 377.960 3.856 20 0 GHADLP FC(F)(F)Oc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204416538 1032847160 /nfs/dbraw/zinc/84/71/60/1032847160.db2.gz XIJLVFZKYVZFSV-ROUUACIJSA-N 2 2 377.410 3.544 20 0 GHADLP COC(=O)c1c(C[N@@H+]2CCC[C@H](C[NH3+])C2)nc2ccccc2c1-c1ccccc1 ZINC000575401902 1019938249 /nfs/dbraw/zinc/93/82/49/1019938249.db2.gz RWOZBLYLFIAQHA-QGZVFWFLSA-N 2 2 389.499 3.859 20 0 GHADLP COC(=O)c1c(C[N@H+]2CCC[C@H](C[NH3+])C2)nc2ccccc2c1-c1ccccc1 ZINC000575401902 1019938251 /nfs/dbraw/zinc/93/82/51/1019938251.db2.gz RWOZBLYLFIAQHA-QGZVFWFLSA-N 2 2 389.499 3.859 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000576152004 1019985024 /nfs/dbraw/zinc/98/50/24/1019985024.db2.gz WZEZQMLHOGAUSJ-SFHVURJKSA-N 2 2 394.437 3.856 20 0 GHADLP CC[C@@H](c1nnc(SC[C@@H](O)C[N@H+](C)C(C)C)n1C1CCCCC1)[NH+](C)C ZINC000576240614 1019991691 /nfs/dbraw/zinc/99/16/91/1019991691.db2.gz CFKDBMJEFNEBGF-ROUUACIJSA-N 2 2 397.633 3.589 20 0 GHADLP CC[C@@H](c1nnc(SC[C@@H](O)C[N@@H+](C)C(C)C)n1C1CCCCC1)[NH+](C)C ZINC000576240614 1019991694 /nfs/dbraw/zinc/99/16/94/1019991694.db2.gz CFKDBMJEFNEBGF-ROUUACIJSA-N 2 2 397.633 3.589 20 0 GHADLP Cc1ccc(N2CC[C@@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2=O)cc1 ZINC000779438008 1020788193 /nfs/dbraw/zinc/78/81/93/1020788193.db2.gz JBGFQQCWKRBFTL-GNLZIIPMSA-N 2 2 389.543 3.886 20 0 GHADLP Cc1ccc(N2CC[C@@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2=O)cc1 ZINC000779438008 1020788201 /nfs/dbraw/zinc/78/82/01/1020788201.db2.gz JBGFQQCWKRBFTL-GNLZIIPMSA-N 2 2 389.543 3.886 20 0 GHADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000635453998 1020983407 /nfs/dbraw/zinc/98/34/07/1020983407.db2.gz WMXQIRXWIXVMHM-INIZCTEOSA-N 2 2 398.454 3.564 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)c(F)c(F)c1)CC2 ZINC001204523802 1032948472 /nfs/dbraw/zinc/94/84/72/1032948472.db2.gz ILXYLHPUFWIVFU-INIZCTEOSA-N 2 2 394.437 3.952 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)c(F)c(F)c1)CC2 ZINC001204523802 1032948474 /nfs/dbraw/zinc/94/84/74/1032948474.db2.gz ILXYLHPUFWIVFU-INIZCTEOSA-N 2 2 394.437 3.952 20 0 GHADLP CC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834574920 1021277943 /nfs/dbraw/zinc/27/79/43/1021277943.db2.gz FYVHWJNMZSZPQA-OALUTQOASA-N 2 2 397.604 3.644 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4cc(N5CCCCC5)[nH+]cn4)[C@H]3C2)cc1 ZINC001156319089 1032984003 /nfs/dbraw/zinc/98/40/03/1032984003.db2.gz VBCYBFWWWHFCIP-ACRUOGEOSA-N 2 2 377.536 3.789 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4cc(N5CCCCC5)[nH+]cn4)[C@H]3C2)cc1 ZINC001156319089 1032984006 /nfs/dbraw/zinc/98/40/06/1032984006.db2.gz VBCYBFWWWHFCIP-ACRUOGEOSA-N 2 2 377.536 3.789 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4cc(N5CCCCC5)nc[nH+]4)[C@H]3C2)cc1 ZINC001156319089 1032984011 /nfs/dbraw/zinc/98/40/11/1032984011.db2.gz VBCYBFWWWHFCIP-ACRUOGEOSA-N 2 2 377.536 3.789 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4cc(N5CCCCC5)nc[nH+]4)[C@H]3C2)cc1 ZINC001156319089 1032984016 /nfs/dbraw/zinc/98/40/16/1032984016.db2.gz VBCYBFWWWHFCIP-ACRUOGEOSA-N 2 2 377.536 3.789 20 0 GHADLP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000679175519 1021969906 /nfs/dbraw/zinc/96/99/06/1021969906.db2.gz ZQKOQXIDPYEUIK-KRWDZBQOSA-N 2 2 390.491 3.713 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835479996 1022174781 /nfs/dbraw/zinc/17/47/81/1022174781.db2.gz GTRQUQLPWQPMHG-CVDCTZTESA-N 2 2 389.499 3.999 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835479996 1022174794 /nfs/dbraw/zinc/17/47/94/1022174794.db2.gz GTRQUQLPWQPMHG-CVDCTZTESA-N 2 2 389.499 3.999 20 0 GHADLP Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(C[NH+](C)C)c(F)c3)CC2)cs1 ZINC000754875212 1022944740 /nfs/dbraw/zinc/94/47/40/1022944740.db2.gz MIIWVNNPIXWXGD-UHFFFAOYSA-N 2 2 390.528 3.503 20 0 GHADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC001204784527 1033088650 /nfs/dbraw/zinc/08/86/50/1033088650.db2.gz SDKGDWDLXBMIMM-UHFFFAOYSA-N 2 2 397.950 3.747 20 0 GHADLP CCn1c(=S)n(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)nc1-c1ccccc1 ZINC000755780155 1023373809 /nfs/dbraw/zinc/37/38/09/1023373809.db2.gz NHYXYQJMJFWXIO-IBGZPJMESA-N 2 2 385.581 3.722 20 0 GHADLP CCn1c(=S)n(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)nc1-c1ccccc1 ZINC000755780155 1023373822 /nfs/dbraw/zinc/37/38/22/1023373822.db2.gz NHYXYQJMJFWXIO-IBGZPJMESA-N 2 2 385.581 3.722 20 0 GHADLP Cc1ccc(-c2nn(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c(=S)n2C)cc1 ZINC000755779949 1023373899 /nfs/dbraw/zinc/37/38/99/1023373899.db2.gz VKEOUHPALYBXMU-LJQANCHMSA-N 2 2 385.581 3.548 20 0 GHADLP Cc1ccc(-c2nn(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c(=S)n2C)cc1 ZINC000755779949 1023373910 /nfs/dbraw/zinc/37/39/10/1023373910.db2.gz VKEOUHPALYBXMU-LJQANCHMSA-N 2 2 385.581 3.548 20 0 GHADLP O=C(c1cccs1)N1CCC2(CC1)CC[NH+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141048355 1023384498 /nfs/dbraw/zinc/38/44/98/1023384498.db2.gz KLTXHVYUNSFXCN-UHFFFAOYSA-N 2 2 394.544 3.914 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000756098688 1023521481 /nfs/dbraw/zinc/52/14/81/1023521481.db2.gz GNFQNLJEPIVDSZ-UHFFFAOYSA-N 2 2 396.535 3.967 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000756098688 1023521488 /nfs/dbraw/zinc/52/14/88/1023521488.db2.gz GNFQNLJEPIVDSZ-UHFFFAOYSA-N 2 2 396.535 3.967 20 0 GHADLP Cc1nc(C(F)(F)F)ccc1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001141426521 1025010508 /nfs/dbraw/zinc/01/05/08/1025010508.db2.gz HFRKEEOISSWRRQ-IBGZPJMESA-N 2 2 385.474 3.732 20 0 GHADLP Cc1nc(C(F)(F)F)ccc1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001141426521 1025010523 /nfs/dbraw/zinc/01/05/23/1025010523.db2.gz HFRKEEOISSWRRQ-IBGZPJMESA-N 2 2 385.474 3.732 20 0 GHADLP Cc1nc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001141426521 1025010532 /nfs/dbraw/zinc/01/05/32/1025010532.db2.gz HFRKEEOISSWRRQ-IBGZPJMESA-N 2 2 385.474 3.732 20 0 GHADLP Cc1nc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001141426521 1025010544 /nfs/dbraw/zinc/01/05/44/1025010544.db2.gz HFRKEEOISSWRRQ-IBGZPJMESA-N 2 2 385.474 3.732 20 0 GHADLP CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000831991848 1025095848 /nfs/dbraw/zinc/09/58/48/1025095848.db2.gz CRMUMBNLKHMALO-GOSISDBHSA-N 2 2 376.545 3.631 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccc(Oc5ncccn5)c4)C[C@@H]3C2)cc1 ZINC001138622710 1025119871 /nfs/dbraw/zinc/11/98/71/1025119871.db2.gz SJLWEKJPOSLSPU-SZPZYZBQSA-N 2 2 386.499 3.833 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccc(Oc5ncccn5)c4)C[C@@H]3C2)cc1 ZINC001138622710 1025119878 /nfs/dbraw/zinc/11/98/78/1025119878.db2.gz SJLWEKJPOSLSPU-SZPZYZBQSA-N 2 2 386.499 3.833 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccc(Oc5ncccn5)c4)C[C@@H]3C2)cc1 ZINC001138622710 1025119884 /nfs/dbraw/zinc/11/98/84/1025119884.db2.gz SJLWEKJPOSLSPU-SZPZYZBQSA-N 2 2 386.499 3.833 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccc(Oc5ncccn5)c4)C[C@@H]3C2)cc1 ZINC001138622710 1025119887 /nfs/dbraw/zinc/11/98/87/1025119887.db2.gz SJLWEKJPOSLSPU-SZPZYZBQSA-N 2 2 386.499 3.833 20 0 GHADLP CCCN(CCC)c1cc(N2CCC([NH3+])(Cc3ccccc3F)CC2)nc[nH+]1 ZINC001161988854 1025523518 /nfs/dbraw/zinc/52/35/18/1025523518.db2.gz WIFHHHNJAVXXFC-UHFFFAOYSA-N 2 2 385.531 3.783 20 0 GHADLP CCCN(CCC)c1cc(N2CCC([NH3+])(Cc3ccccc3F)CC2)[nH+]cn1 ZINC001161988854 1025523533 /nfs/dbraw/zinc/52/35/33/1025523533.db2.gz WIFHHHNJAVXXFC-UHFFFAOYSA-N 2 2 385.531 3.783 20 0 GHADLP FC(F)Oc1ccccc1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001138909578 1025564980 /nfs/dbraw/zinc/56/49/80/1025564980.db2.gz UYSNOFPXSLRGTM-UHFFFAOYSA-N 2 2 390.478 3.529 20 0 GHADLP FC(F)Oc1ccccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001138909578 1025564990 /nfs/dbraw/zinc/56/49/90/1025564990.db2.gz UYSNOFPXSLRGTM-UHFFFAOYSA-N 2 2 390.478 3.529 20 0 GHADLP CC(C)Oc1cccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)c1 ZINC001138982464 1025715909 /nfs/dbraw/zinc/71/59/09/1025715909.db2.gz MGQJEKPMNYWGRH-UHFFFAOYSA-N 2 2 382.552 3.838 20 0 GHADLP CC(C)Oc1cccc(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)c1 ZINC001138982464 1025715926 /nfs/dbraw/zinc/71/59/26/1025715926.db2.gz MGQJEKPMNYWGRH-UHFFFAOYSA-N 2 2 382.552 3.838 20 0 GHADLP COc1ccc2c(c1)c(C[NH+]1C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C1)cn2C ZINC001139147433 1025961583 /nfs/dbraw/zinc/96/15/83/1025961583.db2.gz XZVSPOQVKBDWSM-IAGOWNOFSA-N 2 2 381.545 3.812 20 0 GHADLP CCCC(C[NH3+])(CCC)Nc1cc(N2CCN(c3ccccc3)CC2)[nH+]cn1 ZINC001163040479 1026022358 /nfs/dbraw/zinc/02/23/58/1026022358.db2.gz MNJXXYDZSXEQQA-UHFFFAOYSA-N 2 2 382.556 3.513 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)C(F)(F)F)c2)[C@H](C)C1 ZINC000839561895 1026060575 /nfs/dbraw/zinc/06/05/75/1026060575.db2.gz REKWARCWWQUUDW-CRAIPNDOSA-N 2 2 386.458 3.658 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)C(F)(F)F)c2)[C@H](C)C1 ZINC000839561895 1026060588 /nfs/dbraw/zinc/06/05/88/1026060588.db2.gz REKWARCWWQUUDW-CRAIPNDOSA-N 2 2 386.458 3.658 20 0 GHADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cn(C(=O)OC(C)(C)C)c4ccc(OC)cc34)C[C@@H]2C1 ZINC001139298629 1026152463 /nfs/dbraw/zinc/15/24/63/1026152463.db2.gz YKUXZMLDMKCGGZ-CALCHBBNSA-N 2 2 399.535 3.817 20 0 GHADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cn(C(=O)OC(C)(C)C)c4ccc(OC)cc34)C[C@@H]2C1 ZINC001139298629 1026152469 /nfs/dbraw/zinc/15/24/69/1026152469.db2.gz YKUXZMLDMKCGGZ-CALCHBBNSA-N 2 2 399.535 3.817 20 0 GHADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cn(C(=O)OC(C)(C)C)c4ccc(OC)cc34)C[C@@H]2C1 ZINC001139298629 1026152475 /nfs/dbraw/zinc/15/24/75/1026152475.db2.gz YKUXZMLDMKCGGZ-CALCHBBNSA-N 2 2 399.535 3.817 20 0 GHADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cn(C(=O)OC(C)(C)C)c4ccc(OC)cc34)C[C@@H]2C1 ZINC001139298629 1026152484 /nfs/dbraw/zinc/15/24/84/1026152484.db2.gz YKUXZMLDMKCGGZ-CALCHBBNSA-N 2 2 399.535 3.817 20 0 GHADLP Clc1cnc(Cl)c(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001139351892 1026223236 /nfs/dbraw/zinc/22/32/36/1026223236.db2.gz GEPYTKCGSKTNLH-UHFFFAOYSA-N 2 2 394.350 3.629 20 0 GHADLP Clc1cnc(Cl)c(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001139351892 1026223251 /nfs/dbraw/zinc/22/32/51/1026223251.db2.gz GEPYTKCGSKTNLH-UHFFFAOYSA-N 2 2 394.350 3.629 20 0 GHADLP O=C1N(c2ccsc2)CC[C@@]12CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139359543 1026232233 /nfs/dbraw/zinc/23/22/33/1026232233.db2.gz FPIDQVUDUAIFRN-JOCHJYFZSA-N 2 2 392.528 3.953 20 0 GHADLP O=C1N(c2ccsc2)CC[C@@]12CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139359543 1026232245 /nfs/dbraw/zinc/23/22/45/1026232245.db2.gz FPIDQVUDUAIFRN-JOCHJYFZSA-N 2 2 392.528 3.953 20 0 GHADLP CN1C(=O)C2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)[C@@H]1c1ccccc1 ZINC001139360309 1026232559 /nfs/dbraw/zinc/23/25/59/1026232559.db2.gz VENUYJJKYBQSFZ-QFIPXVFZSA-N 2 2 386.499 3.668 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001139361958 1026237251 /nfs/dbraw/zinc/23/72/51/1026237251.db2.gz FHEQEXWLVBNZPX-RTBURBONSA-N 2 2 382.508 3.561 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001139361958 1026237262 /nfs/dbraw/zinc/23/72/62/1026237262.db2.gz FHEQEXWLVBNZPX-RTBURBONSA-N 2 2 382.508 3.561 20 0 GHADLP O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139363331 1026238911 /nfs/dbraw/zinc/23/89/11/1026238911.db2.gz BMPHLOPOPWXBJH-LJQANCHMSA-N 2 2 390.462 3.632 20 0 GHADLP O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139363331 1026238927 /nfs/dbraw/zinc/23/89/27/1026238927.db2.gz BMPHLOPOPWXBJH-LJQANCHMSA-N 2 2 390.462 3.632 20 0 GHADLP CCOc1cc(C[NH2+]CCCCn2cc[nH+]c2)cc(Br)c1OC ZINC001461090937 1069384673 /nfs/dbraw/zinc/38/46/73/1069384673.db2.gz GJRVBMNCUTXMKJ-UHFFFAOYSA-N 2 2 382.302 3.623 20 0 GHADLP c1ccc(COc2cc(NCc3cccnc3C3CC[NH2+]CC3)cc[nH+]2)nc1 ZINC001163914539 1026360029 /nfs/dbraw/zinc/36/00/29/1026360029.db2.gz BCPSXUIHSNXJQR-UHFFFAOYSA-N 2 2 375.476 3.530 20 0 GHADLP Brc1ccc2[nH+]ccn2c1NCc1cccnc1C1CC[NH2+]CC1 ZINC001163917106 1026361317 /nfs/dbraw/zinc/36/13/17/1026361317.db2.gz UVISURLAVQHAJJ-UHFFFAOYSA-N 2 2 386.297 3.571 20 0 GHADLP C[NH+](C)C1(CNc2nccc3nc(-c4ccccc4Cl)[nH]c32)CC[NH+](C)CC1 ZINC001164211648 1026454263 /nfs/dbraw/zinc/45/42/63/1026454263.db2.gz SDOLHGTUHZRKPD-UHFFFAOYSA-N 2 2 398.942 3.716 20 0 GHADLP C[NH+](C)C1(CNc2nccc3ccn(Cc4ccccc4)c32)CC[NH+](C)CC1 ZINC001164211850 1026454460 /nfs/dbraw/zinc/45/44/60/1026454460.db2.gz UFOOBOOFALAVLC-UHFFFAOYSA-N 2 2 377.536 3.523 20 0 GHADLP Cc1[nH+]c2c(n1-c1ncnc3scc(-c4ccc(F)cc4)c31)CC[NH2+]CC2 ZINC001165355338 1026711817 /nfs/dbraw/zinc/71/18/17/1026711817.db2.gz VEJFGHFZEGMPSX-UHFFFAOYSA-N 2 2 379.464 3.680 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001140021969 1026807474 /nfs/dbraw/zinc/80/74/74/1026807474.db2.gz VVYRKLCAHLDMLA-VQTJNVASSA-N 2 2 382.508 3.764 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001140021969 1026807475 /nfs/dbraw/zinc/80/74/75/1026807475.db2.gz VVYRKLCAHLDMLA-VQTJNVASSA-N 2 2 382.508 3.764 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001140024350 1026811804 /nfs/dbraw/zinc/81/18/04/1026811804.db2.gz AIMJKIMCWRAEQN-VQTJNVASSA-N 2 2 378.501 3.622 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001140024350 1026811811 /nfs/dbraw/zinc/81/18/11/1026811811.db2.gz AIMJKIMCWRAEQN-VQTJNVASSA-N 2 2 378.501 3.622 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001140026995 1026814828 /nfs/dbraw/zinc/81/48/28/1026814828.db2.gz SWOCDFMSNKHOKX-MSOLQXFVSA-N 2 2 388.487 3.618 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001140026995 1026814842 /nfs/dbraw/zinc/81/48/42/1026814842.db2.gz SWOCDFMSNKHOKX-MSOLQXFVSA-N 2 2 388.487 3.618 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001140027772 1026816215 /nfs/dbraw/zinc/81/62/15/1026816215.db2.gz YILLFRPESGHVFG-UHFFFAOYSA-N 2 2 392.478 3.714 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC2(CC1)OC(=O)Nc1ncccc12 ZINC001140028563 1026816517 /nfs/dbraw/zinc/81/65/17/1026816517.db2.gz XEVZHUFQQYZVHH-UHFFFAOYSA-N 2 2 389.459 3.629 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC001140027756 1026817403 /nfs/dbraw/zinc/81/74/03/1026817403.db2.gz XZKWMLCMRRXATN-UHFFFAOYSA-N 2 2 392.478 3.714 20 0 GHADLP COc1nc(Cl)c(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)n1C ZINC001461168526 1069423513 /nfs/dbraw/zinc/42/35/13/1069423513.db2.gz CZPPCZZCLUIJHP-UHFFFAOYSA-N 2 2 376.932 3.604 20 0 GHADLP COc1cccc(-c2ncc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cn2)c1 ZINC001140194370 1026967713 /nfs/dbraw/zinc/96/77/13/1026967713.db2.gz CXLZUJDPADZXCG-OAQYLSRUSA-N 2 2 380.536 3.993 20 0 GHADLP COc1cccc(-c2ncc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cn2)c1 ZINC001140194370 1026967720 /nfs/dbraw/zinc/96/77/20/1026967720.db2.gz CXLZUJDPADZXCG-OAQYLSRUSA-N 2 2 380.536 3.993 20 0 GHADLP Cc1cc(N)[nH+]cc1Nc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001209970085 1027296602 /nfs/dbraw/zinc/29/66/02/1027296602.db2.gz UDNPIRJQDXKKRN-UHFFFAOYSA-N 2 2 397.523 3.769 20 0 GHADLP CC(=O)OCc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC001141793650 1027300494 /nfs/dbraw/zinc/30/04/94/1027300494.db2.gz FMEHDGAQNHMGSH-QHCPKHFHSA-N 2 2 382.504 3.831 20 0 GHADLP CC(=O)OCc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC001141793650 1027300512 /nfs/dbraw/zinc/30/05/12/1027300512.db2.gz FMEHDGAQNHMGSH-QHCPKHFHSA-N 2 2 382.504 3.831 20 0 GHADLP CC(=O)OCc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC001141793650 1027300537 /nfs/dbraw/zinc/30/05/37/1027300537.db2.gz FMEHDGAQNHMGSH-QHCPKHFHSA-N 2 2 382.504 3.831 20 0 GHADLP CC(=O)OCc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC001141793650 1027300556 /nfs/dbraw/zinc/30/05/56/1027300556.db2.gz FMEHDGAQNHMGSH-QHCPKHFHSA-N 2 2 382.504 3.831 20 0 GHADLP COc1ccccc1C[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001203431599 1027333000 /nfs/dbraw/zinc/33/30/00/1027333000.db2.gz CUYFHRJIAXBZOL-UHFFFAOYSA-N 2 2 377.488 3.874 20 0 GHADLP COc1ccccc1C[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001203431599 1027333019 /nfs/dbraw/zinc/33/30/19/1027333019.db2.gz CUYFHRJIAXBZOL-UHFFFAOYSA-N 2 2 377.488 3.874 20 0 GHADLP COc1ccccc1C[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001203431599 1027333040 /nfs/dbraw/zinc/33/30/40/1027333040.db2.gz CUYFHRJIAXBZOL-UHFFFAOYSA-N 2 2 377.488 3.874 20 0 GHADLP COc1ccccc1C[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001203431599 1027333060 /nfs/dbraw/zinc/33/30/60/1027333060.db2.gz CUYFHRJIAXBZOL-UHFFFAOYSA-N 2 2 377.488 3.874 20 0 GHADLP CC(C)C[NH+]1CCC(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001141816633 1027350831 /nfs/dbraw/zinc/35/08/31/1027350831.db2.gz CZQFIFQIFLMCBE-RTBURBONSA-N 2 2 387.568 3.602 20 0 GHADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000840273902 1027399115 /nfs/dbraw/zinc/39/91/15/1027399115.db2.gz XHPODFDXUGAWPI-UHFFFAOYSA-N 2 2 375.476 3.814 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1OC(C)=O ZINC001203829706 1027639632 /nfs/dbraw/zinc/63/96/32/1027639632.db2.gz IBLJABQLXUSVLL-XMMPIXPASA-N 2 2 394.515 3.719 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1OC(C)=O ZINC001203829706 1027639634 /nfs/dbraw/zinc/63/96/34/1027639634.db2.gz IBLJABQLXUSVLL-XMMPIXPASA-N 2 2 394.515 3.719 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1OC(C)=O ZINC001203829706 1027639636 /nfs/dbraw/zinc/63/96/36/1027639636.db2.gz IBLJABQLXUSVLL-XMMPIXPASA-N 2 2 394.515 3.719 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1OC(C)=O ZINC001203829706 1027639638 /nfs/dbraw/zinc/63/96/38/1027639638.db2.gz IBLJABQLXUSVLL-XMMPIXPASA-N 2 2 394.515 3.719 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC001461277816 1069477763 /nfs/dbraw/zinc/47/77/63/1069477763.db2.gz YXNHLEKYNQJBQV-UHFFFAOYSA-N 2 2 390.959 3.813 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(OC)c1O ZINC001204126355 1027900113 /nfs/dbraw/zinc/90/01/13/1027900113.db2.gz WUUCNEDQZAMPFT-XMMPIXPASA-N 2 2 396.531 3.898 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(OC)c1O ZINC001204126355 1027900118 /nfs/dbraw/zinc/90/01/18/1027900118.db2.gz WUUCNEDQZAMPFT-XMMPIXPASA-N 2 2 396.531 3.898 20 0 GHADLP COc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(OC)c1O ZINC001204126355 1027900126 /nfs/dbraw/zinc/90/01/26/1027900126.db2.gz WUUCNEDQZAMPFT-XMMPIXPASA-N 2 2 396.531 3.898 20 0 GHADLP COc1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc(OC)c1O ZINC001204126355 1027900127 /nfs/dbraw/zinc/90/01/27/1027900127.db2.gz WUUCNEDQZAMPFT-XMMPIXPASA-N 2 2 396.531 3.898 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001142192487 1028330014 /nfs/dbraw/zinc/33/00/14/1028330014.db2.gz JWFJXVSCUQGEGQ-SZPZYZBQSA-N 2 2 393.531 3.601 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001142192487 1028330032 /nfs/dbraw/zinc/33/00/32/1028330032.db2.gz JWFJXVSCUQGEGQ-SZPZYZBQSA-N 2 2 393.531 3.601 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001142192487 1028330051 /nfs/dbraw/zinc/33/00/51/1028330051.db2.gz JWFJXVSCUQGEGQ-SZPZYZBQSA-N 2 2 393.531 3.601 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001142192487 1028330076 /nfs/dbraw/zinc/33/00/76/1028330076.db2.gz JWFJXVSCUQGEGQ-SZPZYZBQSA-N 2 2 393.531 3.601 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC001142192512 1028332579 /nfs/dbraw/zinc/33/25/79/1028332579.db2.gz KSPJQTRAOYEEEM-NHCUHLMSSA-N 2 2 393.531 3.601 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)N(C)C2CCC([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000841866189 1028981898 /nfs/dbraw/zinc/98/18/98/1028981898.db2.gz FHQYRGAXIGKPIO-BURPLHJFSA-N 2 2 396.938 3.526 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)N(C)C2CCC([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000841866189 1028981901 /nfs/dbraw/zinc/98/19/01/1028981901.db2.gz FHQYRGAXIGKPIO-BURPLHJFSA-N 2 2 396.938 3.526 20 0 GHADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001142627606 1029175402 /nfs/dbraw/zinc/17/54/02/1029175402.db2.gz SERYOXITEPFWIF-YADHBBJMSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001142627606 1029175410 /nfs/dbraw/zinc/17/54/10/1029175410.db2.gz SERYOXITEPFWIF-YADHBBJMSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001142627606 1029175416 /nfs/dbraw/zinc/17/54/16/1029175416.db2.gz SERYOXITEPFWIF-YADHBBJMSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001142627606 1029175426 /nfs/dbraw/zinc/17/54/26/1029175426.db2.gz SERYOXITEPFWIF-YADHBBJMSA-N 2 2 389.559 3.951 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3-n3cc[nH+]c3)C[C@H]2C1 ZINC000842674343 1029478126 /nfs/dbraw/zinc/47/81/26/1029478126.db2.gz NCVGMJIDVAAXQI-SLFFLAALSA-N 2 2 396.535 3.998 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3scc4c3OCCO4)C[C@H]21 ZINC001143187418 1029891984 /nfs/dbraw/zinc/89/19/84/1029891984.db2.gz RGONPYIIIHUOAJ-BHIYHBOVSA-N 2 2 399.560 3.647 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3scc4c3OCCO4)C[C@H]21 ZINC001143187418 1029891991 /nfs/dbraw/zinc/89/19/91/1029891991.db2.gz RGONPYIIIHUOAJ-BHIYHBOVSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3scc4c3OCCO4)C[C@H]21 ZINC001143187418 1029891996 /nfs/dbraw/zinc/89/19/96/1029891996.db2.gz RGONPYIIIHUOAJ-BHIYHBOVSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3scc4c3OCCO4)C[C@H]21 ZINC001143187418 1029892001 /nfs/dbraw/zinc/89/20/01/1029892001.db2.gz RGONPYIIIHUOAJ-BHIYHBOVSA-N 2 2 399.560 3.647 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000843360497 1029939703 /nfs/dbraw/zinc/93/97/03/1029939703.db2.gz AHFRVIULGLJIQD-PRCIMEDXSA-N 2 2 395.572 3.566 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000843360497 1029939707 /nfs/dbraw/zinc/93/97/07/1029939707.db2.gz AHFRVIULGLJIQD-PRCIMEDXSA-N 2 2 395.572 3.566 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)C2)cc1 ZINC001222595677 1030222406 /nfs/dbraw/zinc/22/24/06/1030222406.db2.gz GMOFTVGMSOCDEJ-UPVQGACJSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)C2)cc1 ZINC001222595677 1030222419 /nfs/dbraw/zinc/22/24/19/1030222419.db2.gz GMOFTVGMSOCDEJ-UPVQGACJSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)C2)cc1 ZINC001222595677 1030222432 /nfs/dbraw/zinc/22/24/32/1030222432.db2.gz GMOFTVGMSOCDEJ-UPVQGACJSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)C2)cc1 ZINC001222595677 1030222440 /nfs/dbraw/zinc/22/24/40/1030222440.db2.gz GMOFTVGMSOCDEJ-UPVQGACJSA-N 3 2 375.560 3.588 20 0 GHADLP COc1cc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc(C(F)(F)F)c1 ZINC001222609495 1030232696 /nfs/dbraw/zinc/23/26/96/1030232696.db2.gz PEHPTFFSWVBBLO-IBGZPJMESA-N 2 2 376.422 3.903 20 0 GHADLP COc1cc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc(C(F)(F)F)c1 ZINC001222609495 1030232706 /nfs/dbraw/zinc/23/27/06/1030232706.db2.gz PEHPTFFSWVBBLO-IBGZPJMESA-N 2 2 376.422 3.903 20 0 GHADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(Br)c(OC(F)(F)F)c2)C1 ZINC001206641489 1030992985 /nfs/dbraw/zinc/99/29/85/1030992985.db2.gz YAQCPCYUTVGXFS-GFCCVEGCSA-N 2 2 381.236 3.909 20 0 GHADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(Br)c(OC(F)(F)F)c2)C1 ZINC001206641489 1030992988 /nfs/dbraw/zinc/99/29/88/1030992988.db2.gz YAQCPCYUTVGXFS-GFCCVEGCSA-N 2 2 381.236 3.909 20 0 GHADLP O=C(C[C@H]1CC2(CC[NH2+]CC2)c2cc(F)ccc21)Nc1ccn2cc[nH+]c2c1 ZINC001218787394 1031080056 /nfs/dbraw/zinc/08/00/56/1031080056.db2.gz DLZAHOCZORXMIW-HNNXBMFYSA-N 2 2 378.451 3.611 20 0 GHADLP COc1ccccc1Oc1ccc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)cc1 ZINC001218852944 1031116207 /nfs/dbraw/zinc/11/62/07/1031116207.db2.gz NGZUFLXERVQKHU-IBGZPJMESA-N 2 2 377.444 3.698 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccc(C(C)(C)C[NH3+])cc2)cc1 ZINC001218897045 1031136946 /nfs/dbraw/zinc/13/69/46/1031136946.db2.gz JGYUFEIAKLSXON-UHFFFAOYSA-N 3 2 396.579 3.559 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccc(C(C)(C)C[NH3+])cc2)cc1 ZINC001218897045 1031136953 /nfs/dbraw/zinc/13/69/53/1031136953.db2.gz JGYUFEIAKLSXON-UHFFFAOYSA-N 3 2 396.579 3.559 20 0 GHADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cc1 ZINC001154124246 1031939635 /nfs/dbraw/zinc/93/96/35/1031939635.db2.gz QHICMIVADPWFHF-QFIPXVFZSA-N 2 2 383.511 3.844 20 0 GHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cc1 ZINC001154124246 1031939641 /nfs/dbraw/zinc/93/96/41/1031939641.db2.gz QHICMIVADPWFHF-QFIPXVFZSA-N 2 2 383.511 3.844 20 0 GHADLP Nc1[nH]c2cc(C(=O)Nc3ccc4c(c3)CC[C@@H]([NH+]3CCCC3)CC4)ccc2[nH+]1 ZINC001156974896 1033350233 /nfs/dbraw/zinc/35/02/33/1033350233.db2.gz BLZGMHCLJGFXQU-IBGZPJMESA-N 2 2 389.503 3.741 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2Br)C[C@@H]1C[NH3+] ZINC001205319045 1033357878 /nfs/dbraw/zinc/35/78/78/1033357878.db2.gz XWVOREDIDSJOJC-PWSUYJOCSA-N 2 2 381.236 3.764 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2Br)C[C@@H]1C[NH3+] ZINC001205319045 1033357885 /nfs/dbraw/zinc/35/78/85/1033357885.db2.gz XWVOREDIDSJOJC-PWSUYJOCSA-N 2 2 381.236 3.764 20 0 GHADLP Cc1cc(NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC001205706082 1033539195 /nfs/dbraw/zinc/53/91/95/1033539195.db2.gz ZWUPGLBIEFDQEW-FQEVSTJZSA-N 2 2 377.492 3.771 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C(=O)NCCc1ccccc1 ZINC001205812742 1033586483 /nfs/dbraw/zinc/58/64/83/1033586483.db2.gz NITRLYCIUSGENB-KWOQKUFVSA-N 2 2 391.559 3.692 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(=O)NCCc1ccccc1 ZINC001205812742 1033586488 /nfs/dbraw/zinc/58/64/88/1033586488.db2.gz NITRLYCIUSGENB-KWOQKUFVSA-N 2 2 391.559 3.692 20 0 GHADLP CCN(c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)C1C[NH+](C)C1 ZINC001157462093 1033604146 /nfs/dbraw/zinc/60/41/46/1033604146.db2.gz ZZSAAMFADODUFL-UHFFFAOYSA-N 2 2 381.549 3.560 20 0 GHADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Br)cc1N1CCCCC1 ZINC001205901607 1033627552 /nfs/dbraw/zinc/62/75/52/1033627552.db2.gz DQBQTUJTHTZCNG-JKSUJKDBSA-N 2 2 380.374 3.999 20 0 GHADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(Br)cc1N1CCCCC1 ZINC001205901607 1033627561 /nfs/dbraw/zinc/62/75/61/1033627561.db2.gz DQBQTUJTHTZCNG-JKSUJKDBSA-N 2 2 380.374 3.999 20 0 GHADLP Cc1[nH+]c(N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)cc2[nH]ccc21 ZINC001157536926 1033647413 /nfs/dbraw/zinc/64/74/13/1033647413.db2.gz QCAKDEYIWIQIGS-UHFFFAOYSA-N 2 2 376.386 3.570 20 0 GHADLP Fc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001206020323 1033689410 /nfs/dbraw/zinc/68/94/10/1033689410.db2.gz OPHVQCSAOFQIHJ-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001206020323 1033689420 /nfs/dbraw/zinc/68/94/20/1033689420.db2.gz OPHVQCSAOFQIHJ-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1ccc(Cl)cc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001206020323 1033689443 /nfs/dbraw/zinc/68/94/43/1033689443.db2.gz OPHVQCSAOFQIHJ-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP O=C(c1cccc2c1C[N@H+](Cc1ccccc1)C2)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157970425 1033845124 /nfs/dbraw/zinc/84/51/24/1033845124.db2.gz RQGXHYYQRYCITP-VWLOTQADSA-N 2 2 397.522 3.989 20 0 GHADLP O=C(c1cccc2c1C[N@@H+](Cc1ccccc1)C2)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157970425 1033845139 /nfs/dbraw/zinc/84/51/39/1033845139.db2.gz RQGXHYYQRYCITP-VWLOTQADSA-N 2 2 397.522 3.989 20 0 GHADLP C[NH+](C)CCc1c[nH]c2ccc(-c3ccc(C[NH+]4CCOCC4)cc3F)cc12 ZINC001206739813 1033963901 /nfs/dbraw/zinc/96/39/01/1033963901.db2.gz GTHONLOCVZRASR-UHFFFAOYSA-N 2 2 381.495 3.910 20 0 GHADLP Cc1cc(N(C2CC[NH2+]CC2)C(F)(F)c2cnc(Cl)c(F)c2)nc(C)[nH+]1 ZINC001158391899 1034059654 /nfs/dbraw/zinc/05/96/54/1034059654.db2.gz NVTHWOVIULJIKH-UHFFFAOYSA-N 2 2 385.821 3.589 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207182501 1034151138 /nfs/dbraw/zinc/15/11/38/1034151138.db2.gz LBNOQSOIMOBFHE-CEMLEFRQSA-N 2 2 392.971 3.504 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207182501 1034151143 /nfs/dbraw/zinc/15/11/43/1034151143.db2.gz LBNOQSOIMOBFHE-CEMLEFRQSA-N 2 2 392.971 3.504 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207182501 1034151146 /nfs/dbraw/zinc/15/11/46/1034151146.db2.gz LBNOQSOIMOBFHE-CEMLEFRQSA-N 2 2 392.971 3.504 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207182501 1034151152 /nfs/dbraw/zinc/15/11/52/1034151152.db2.gz LBNOQSOIMOBFHE-CEMLEFRQSA-N 2 2 392.971 3.504 20 0 GHADLP Clc1ccc([C@@H]2C[C@H]2C[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001207188074 1034159920 /nfs/dbraw/zinc/15/99/20/1034159920.db2.gz SNLSXAIISJBJJH-ICSRJNTNSA-N 2 2 399.970 3.579 20 0 GHADLP Clc1ccc([C@@H]2C[C@H]2C[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001207188074 1034159925 /nfs/dbraw/zinc/15/99/25/1034159925.db2.gz SNLSXAIISJBJJH-ICSRJNTNSA-N 2 2 399.970 3.579 20 0 GHADLP CCOC(=O)C1(Nc2[nH+]ccc3c2ccn3Cc2ccccc2)CC[NH+](C)CC1 ZINC001158572717 1034160476 /nfs/dbraw/zinc/16/04/76/1034160476.db2.gz XBNXUWLKHKVKCV-UHFFFAOYSA-N 2 2 392.503 3.524 20 0 GHADLP CC(C)(C)[C@@]1(C[NH+]2CCN(CC(F)F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001461895149 1069850861 /nfs/dbraw/zinc/85/08/61/1069850861.db2.gz IAGSVEAEWFBEDM-JOCHJYFZSA-N 2 2 379.539 3.808 20 0 GHADLP CC(C)(C)[C@@]1(C[NH+]2CCN(CC(F)F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001461895149 1069850874 /nfs/dbraw/zinc/85/08/74/1069850874.db2.gz IAGSVEAEWFBEDM-JOCHJYFZSA-N 2 2 379.539 3.808 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1ccccc1Br)C2 ZINC001207531613 1034434562 /nfs/dbraw/zinc/43/45/62/1034434562.db2.gz TZDFOUROZLDVOX-UHFFFAOYSA-N 2 2 391.357 3.544 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1ccccc1Br)C2 ZINC001207531613 1034434569 /nfs/dbraw/zinc/43/45/69/1034434569.db2.gz TZDFOUROZLDVOX-UHFFFAOYSA-N 2 2 391.357 3.544 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1ccccc1Br)C2 ZINC001207531613 1034434575 /nfs/dbraw/zinc/43/45/75/1034434575.db2.gz TZDFOUROZLDVOX-UHFFFAOYSA-N 2 2 391.357 3.544 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1ccccc1Br)C2 ZINC001207531613 1034434578 /nfs/dbraw/zinc/43/45/78/1034434578.db2.gz TZDFOUROZLDVOX-UHFFFAOYSA-N 2 2 391.357 3.544 20 0 GHADLP [NH3+]C1CCN(c2ccc(Nc3cncc(OCc4ccccc4)c3)c[nH+]2)CC1 ZINC001159321615 1034543481 /nfs/dbraw/zinc/54/34/81/1034543481.db2.gz MTVYWLXYYSHXHZ-UHFFFAOYSA-N 2 2 375.476 3.727 20 0 GHADLP c1cc(OCC[NH+]2CCOCC2)ccc1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159542468 1034653607 /nfs/dbraw/zinc/65/36/07/1034653607.db2.gz QICFOGLCVGZEQL-UHFFFAOYSA-N 2 2 381.520 3.608 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1OC(C)=O ZINC001231710266 1034851916 /nfs/dbraw/zinc/85/19/16/1034851916.db2.gz DFKQGHDBILBEAR-YADHBBJMSA-N 2 2 394.515 3.574 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1OC(C)=O ZINC001231710266 1034851928 /nfs/dbraw/zinc/85/19/28/1034851928.db2.gz DFKQGHDBILBEAR-YADHBBJMSA-N 2 2 394.515 3.574 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC(C)=O ZINC001231710266 1034851938 /nfs/dbraw/zinc/85/19/38/1034851938.db2.gz DFKQGHDBILBEAR-YADHBBJMSA-N 2 2 394.515 3.574 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC(C)=O ZINC001231710266 1034851949 /nfs/dbraw/zinc/85/19/49/1034851949.db2.gz DFKQGHDBILBEAR-YADHBBJMSA-N 2 2 394.515 3.574 20 0 GHADLP CCCCc1ccc(C[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001231781542 1034905505 /nfs/dbraw/zinc/90/55/05/1034905505.db2.gz NZHGUVUKMJXUAF-UHFFFAOYSA-N 2 2 381.568 3.665 20 0 GHADLP CCCCc1ccc(C[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001231781542 1034905509 /nfs/dbraw/zinc/90/55/09/1034905509.db2.gz NZHGUVUKMJXUAF-UHFFFAOYSA-N 2 2 381.568 3.665 20 0 GHADLP CCCOc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001231862423 1034950949 /nfs/dbraw/zinc/95/09/49/1034950949.db2.gz AICDZCQXKOSRRV-AJSBUHFISA-N 2 2 394.563 3.998 20 0 GHADLP CCCOc1ncccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001231862423 1034950957 /nfs/dbraw/zinc/95/09/57/1034950957.db2.gz AICDZCQXKOSRRV-AJSBUHFISA-N 2 2 394.563 3.998 20 0 GHADLP CCCOc1ncccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231862423 1034950963 /nfs/dbraw/zinc/95/09/63/1034950963.db2.gz AICDZCQXKOSRRV-AJSBUHFISA-N 2 2 394.563 3.998 20 0 GHADLP CCCOc1ncccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231862423 1034950969 /nfs/dbraw/zinc/95/09/69/1034950969.db2.gz AICDZCQXKOSRRV-AJSBUHFISA-N 2 2 394.563 3.998 20 0 GHADLP Brc1ccc2c(C3C[NH+](Cc4ccc5c[nH]nc5c4)C3)[nH+]cn2c1 ZINC001231908441 1034983126 /nfs/dbraw/zinc/98/31/26/1034983126.db2.gz UYCCNEZNPMCFCB-UHFFFAOYSA-N 2 2 382.265 3.573 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@@H+]2C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208941592 1035109233 /nfs/dbraw/zinc/10/92/33/1035109233.db2.gz MPBXLMMLJJBZJH-PCCBWWKXSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@H+]2C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208941592 1035109239 /nfs/dbraw/zinc/10/92/39/1035109239.db2.gz MPBXLMMLJJBZJH-PCCBWWKXSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[NH+]2C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208941592 1035109242 /nfs/dbraw/zinc/10/92/42/1035109242.db2.gz MPBXLMMLJJBZJH-PCCBWWKXSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[NH+]2C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208941592 1035109244 /nfs/dbraw/zinc/10/92/44/1035109244.db2.gz MPBXLMMLJJBZJH-PCCBWWKXSA-N 2 2 385.552 3.592 20 0 GHADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948971 1035120123 /nfs/dbraw/zinc/12/01/23/1035120123.db2.gz URUSQEJNDHYDFJ-OFNKIYASSA-N 2 2 381.539 3.854 20 0 GHADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948971 1035120126 /nfs/dbraw/zinc/12/01/26/1035120126.db2.gz URUSQEJNDHYDFJ-OFNKIYASSA-N 2 2 381.539 3.854 20 0 GHADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208948971 1035120131 /nfs/dbraw/zinc/12/01/31/1035120131.db2.gz URUSQEJNDHYDFJ-OFNKIYASSA-N 2 2 381.539 3.854 20 0 GHADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948971 1035120135 /nfs/dbraw/zinc/12/01/35/1035120135.db2.gz URUSQEJNDHYDFJ-OFNKIYASSA-N 2 2 381.539 3.854 20 0 GHADLP CC(C)(C)OC(=O)N1CC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC001208950122 1035120188 /nfs/dbraw/zinc/12/01/88/1035120188.db2.gz QFUKUDZKNWWNCJ-FQEVSTJZSA-N 2 2 387.568 3.840 20 0 GHADLP CC(C)(C)OC(=O)N1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC001208950122 1035120192 /nfs/dbraw/zinc/12/01/92/1035120192.db2.gz QFUKUDZKNWWNCJ-FQEVSTJZSA-N 2 2 387.568 3.840 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC001208950122 1035120195 /nfs/dbraw/zinc/12/01/95/1035120195.db2.gz QFUKUDZKNWWNCJ-FQEVSTJZSA-N 2 2 387.568 3.840 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC001208950122 1035120200 /nfs/dbraw/zinc/12/02/00/1035120200.db2.gz QFUKUDZKNWWNCJ-FQEVSTJZSA-N 2 2 387.568 3.840 20 0 GHADLP COc1ccc(F)cc1C[NH+]1CCC(Nc2nc(N3CCCCC3)cc[nH+]2)CC1 ZINC001161152542 1035161016 /nfs/dbraw/zinc/16/10/16/1035161016.db2.gz DBPRPMIVXULAJG-UHFFFAOYSA-N 2 2 399.514 3.691 20 0 GHADLP COC(=O)CCCCCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001209096136 1035171636 /nfs/dbraw/zinc/17/16/36/1035171636.db2.gz YDWYIOFUDJUROJ-OYRHEFFESA-N 2 2 387.568 3.739 20 0 GHADLP COC(=O)CCCCCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001209096136 1035171639 /nfs/dbraw/zinc/17/16/39/1035171639.db2.gz YDWYIOFUDJUROJ-OYRHEFFESA-N 2 2 387.568 3.739 20 0 GHADLP COC(=O)CCCCCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001209096136 1035171643 /nfs/dbraw/zinc/17/16/43/1035171643.db2.gz YDWYIOFUDJUROJ-OYRHEFFESA-N 2 2 387.568 3.739 20 0 GHADLP COC(=O)CCCCCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001209096136 1035171646 /nfs/dbraw/zinc/17/16/46/1035171646.db2.gz YDWYIOFUDJUROJ-OYRHEFFESA-N 2 2 387.568 3.739 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2nccc4ccccc42)CC3)cn1 ZINC001232249319 1035183093 /nfs/dbraw/zinc/18/30/93/1035183093.db2.gz GAAUOPBIZDJVAN-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2nccc4ccccc42)CC3)cn1 ZINC001232249319 1035183095 /nfs/dbraw/zinc/18/30/95/1035183095.db2.gz GAAUOPBIZDJVAN-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP FC1(F)CC[N@H+](CCCc2cccnc2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001209175382 1035200964 /nfs/dbraw/zinc/20/09/64/1035200964.db2.gz SBUIRLNJLSNEAI-NRFANRHFSA-N 2 2 386.490 3.643 20 0 GHADLP FC1(F)CC[N@@H+](CCCc2cccnc2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001209175382 1035200970 /nfs/dbraw/zinc/20/09/70/1035200970.db2.gz SBUIRLNJLSNEAI-NRFANRHFSA-N 2 2 386.490 3.643 20 0 GHADLP FC1(F)CC[NH+](CCCc2cccnc2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001209175382 1035200974 /nfs/dbraw/zinc/20/09/74/1035200974.db2.gz SBUIRLNJLSNEAI-NRFANRHFSA-N 2 2 386.490 3.643 20 0 GHADLP FC1(F)CC[NH+](CCCc2cccnc2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001209175382 1035200980 /nfs/dbraw/zinc/20/09/80/1035200980.db2.gz SBUIRLNJLSNEAI-NRFANRHFSA-N 2 2 386.490 3.643 20 0 GHADLP CC(C)Cc1ncc(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)s1 ZINC001461949210 1069909786 /nfs/dbraw/zinc/90/97/86/1069909786.db2.gz LRONAAPABRLDCR-UHFFFAOYSA-N 2 2 386.609 3.591 20 0 GHADLP CC(C)Cc1ncc(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC001461949210 1069909787 /nfs/dbraw/zinc/90/97/87/1069909787.db2.gz LRONAAPABRLDCR-UHFFFAOYSA-N 2 2 386.609 3.591 20 0 GHADLP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc(F)c1O ZINC001209534473 1035307800 /nfs/dbraw/zinc/30/78/00/1035307800.db2.gz QIZAPFUSDYJLNY-DSKINZAPSA-N 2 2 399.510 3.667 20 0 GHADLP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc(F)c1O ZINC001209534473 1035307806 /nfs/dbraw/zinc/30/78/06/1035307806.db2.gz QIZAPFUSDYJLNY-DSKINZAPSA-N 2 2 399.510 3.667 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc(F)c1O ZINC001209534473 1035307813 /nfs/dbraw/zinc/30/78/13/1035307813.db2.gz QIZAPFUSDYJLNY-DSKINZAPSA-N 2 2 399.510 3.667 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc(F)c1O ZINC001209534473 1035307819 /nfs/dbraw/zinc/30/78/19/1035307819.db2.gz QIZAPFUSDYJLNY-DSKINZAPSA-N 2 2 399.510 3.667 20 0 GHADLP CCOC(=O)/C=C/c1ccc[nH+]c1N[C@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001161820998 1035308759 /nfs/dbraw/zinc/30/87/59/1035308759.db2.gz RXGIGBAZRHANBQ-SHBDEGQCSA-N 2 2 383.467 3.950 20 0 GHADLP c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccc(N5CCCC5)nc4)C[C@H]3C2)cc1 ZINC001209626709 1035335730 /nfs/dbraw/zinc/33/57/30/1035335730.db2.gz UBZWYRANMFWABI-PKTZIBPZSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccc(N5CCCC5)nc4)C[C@H]3C2)cc1 ZINC001209626709 1035335731 /nfs/dbraw/zinc/33/57/31/1035335731.db2.gz UBZWYRANMFWABI-PKTZIBPZSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccc(N5CCCC5)nc4)C[C@H]3C2)cc1 ZINC001209626709 1035335738 /nfs/dbraw/zinc/33/57/38/1035335738.db2.gz UBZWYRANMFWABI-PKTZIBPZSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccc(N5CCCC5)nc4)C[C@H]3C2)cc1 ZINC001209626709 1035335741 /nfs/dbraw/zinc/33/57/41/1035335741.db2.gz UBZWYRANMFWABI-PKTZIBPZSA-N 2 2 376.548 3.636 20 0 GHADLP C[NH+](C)CCOC1CC[NH+](Cc2c(F)c(Cl)ccc2Br)CC1 ZINC001461976972 1069926043 /nfs/dbraw/zinc/92/60/43/1069926043.db2.gz BQZWTLKUAQVCBP-UHFFFAOYSA-N 2 2 393.728 3.784 20 0 GHADLP [NH3+][C@@H](Cc1c[nH]c2ccccc12)Cc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001248236236 1035679082 /nfs/dbraw/zinc/67/90/82/1035679082.db2.gz JCMRRDSGZBLJLQ-KRWDZBQOSA-N 2 2 384.443 3.516 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc4c(cnn4[C@H]4CCCCO4)c3)c2)C1 ZINC001242450372 1035910201 /nfs/dbraw/zinc/91/02/01/1035910201.db2.gz FDOQNDUSMAKPPB-FYYLOGMGSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc4c(cnn4[C@H]4CCCCO4)c3)c2)C1 ZINC001242450372 1035910206 /nfs/dbraw/zinc/91/02/06/1035910206.db2.gz FDOQNDUSMAKPPB-FYYLOGMGSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3c(cnn3[C@@H]3CCCCO3)c2)C1 ZINC001242451520 1035911041 /nfs/dbraw/zinc/91/10/41/1035911041.db2.gz PFHDNOKNRALVGE-OFNKIYASSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3c(cnn3[C@@H]3CCCCO3)c2)C1 ZINC001242451520 1035911049 /nfs/dbraw/zinc/91/10/49/1035911049.db2.gz PFHDNOKNRALVGE-OFNKIYASSA-N 2 2 376.504 3.935 20 0 GHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccco1 ZINC001248638455 1036020297 /nfs/dbraw/zinc/02/02/97/1036020297.db2.gz KBSLBXAJKCNGNT-DFQSSKMNSA-N 2 2 395.507 3.646 20 0 GHADLP COCOc1ccc(C(F)(F)F)cc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244638000 1036578645 /nfs/dbraw/zinc/57/86/45/1036578645.db2.gz SFMDJUVJKGELTR-KRWDZBQOSA-N 2 2 380.410 3.888 20 0 GHADLP COCOc1ccc(C(F)(F)F)cc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244638000 1036578653 /nfs/dbraw/zinc/57/86/53/1036578653.db2.gz SFMDJUVJKGELTR-KRWDZBQOSA-N 2 2 380.410 3.888 20 0 GHADLP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246189594 1037230100 /nfs/dbraw/zinc/23/01/00/1037230100.db2.gz OEGATVRUVRQQOK-FXEFVXDJSA-N 3 2 375.560 3.831 20 0 GHADLP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246189594 1037230120 /nfs/dbraw/zinc/23/01/20/1037230120.db2.gz OEGATVRUVRQQOK-FXEFVXDJSA-N 3 2 375.560 3.831 20 0 GHADLP CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246338598 1037302536 /nfs/dbraw/zinc/30/25/36/1037302536.db2.gz ZUXITXSVPDLLLR-SCCNAQOGSA-N 2 2 378.944 3.716 20 0 GHADLP Nc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(OC(F)(F)F)c1 ZINC001246342668 1037304630 /nfs/dbraw/zinc/30/46/30/1037304630.db2.gz IVWSHMPTADOSBH-UHFFFAOYSA-N 2 2 379.426 3.922 20 0 GHADLP [NH3+]C1(Cc2ccccc2F)CC[NH+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246422505 1037379320 /nfs/dbraw/zinc/37/93/20/1037379320.db2.gz UKYXZORXHDIJPV-FCHUYYIVSA-N 3 2 381.539 3.525 20 0 GHADLP c1c(C[NH2+][C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)onc1-c1ccc2c(c1)OCO2 ZINC001246473014 1037424076 /nfs/dbraw/zinc/42/40/76/1037424076.db2.gz GEGOROHVZYKNDN-RTBURBONSA-N 2 2 391.471 3.523 20 0 GHADLP COc1cc(NC(=O)C[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)cc2ccccc21 ZINC001246481435 1037428646 /nfs/dbraw/zinc/42/86/46/1037428646.db2.gz IJTCXNODGREZRW-GOSISDBHSA-N 2 2 381.520 3.831 20 0 GHADLP COC(=O)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)CSc2ccc(Cl)cc2)cc1 ZINC001246526408 1037456400 /nfs/dbraw/zinc/45/64/00/1037456400.db2.gz QCWYPCJARSEOTD-ACJLOTCBSA-N 2 2 378.925 3.897 20 0 GHADLP c1cc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2CC[NH2+][C@@H](Cc4ccccc4)C2)CC3)co1 ZINC001246749281 1037587805 /nfs/dbraw/zinc/58/78/05/1037587805.db2.gz BVNZKBFPRVHJDF-ZEQRLZLVSA-N 3 2 393.575 3.931 20 0 GHADLP c1cc(C[N@@H+]2CCC3(C2)CC[NH+]([C@H]2CC[NH2+][C@@H](Cc4ccccc4)C2)CC3)co1 ZINC001246749281 1037587826 /nfs/dbraw/zinc/58/78/26/1037587826.db2.gz BVNZKBFPRVHJDF-ZEQRLZLVSA-N 3 2 393.575 3.931 20 0 GHADLP CC[C@@H]1CC([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)C[C@@H](CC)[NH2+]1 ZINC001246755695 1037596984 /nfs/dbraw/zinc/59/69/84/1037596984.db2.gz IYGUHMOKCQVLRP-FGZHOGPDSA-N 3 2 385.596 3.663 20 0 GHADLP CC[C@@H]1CC([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)C[C@@H](CC)[NH2+]1 ZINC001246755695 1037596990 /nfs/dbraw/zinc/59/69/90/1037596990.db2.gz IYGUHMOKCQVLRP-FGZHOGPDSA-N 3 2 385.596 3.663 20 0 GHADLP Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+](C3C[C@@H]4C=C[C@H](C3)[NH2+]4)CC2)cc1 ZINC001246791708 1037631622 /nfs/dbraw/zinc/63/16/22/1037631622.db2.gz ROBRBDRMLUUNEI-AIZNXBIQSA-N 2 2 395.497 3.731 20 0 GHADLP Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(C3C[C@@H]4C=C[C@H](C3)[NH2+]4)CC2)cc1 ZINC001246791708 1037631629 /nfs/dbraw/zinc/63/16/29/1037631629.db2.gz ROBRBDRMLUUNEI-AIZNXBIQSA-N 2 2 395.497 3.731 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)CC1 ZINC001246912143 1037721261 /nfs/dbraw/zinc/72/12/61/1037721261.db2.gz QVARGBRFPYZDAH-YMISUZCDSA-N 2 2 390.955 3.910 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@H]([NH2+]C3CC3)C2)CC1 ZINC001246912143 1037721272 /nfs/dbraw/zinc/72/12/72/1037721272.db2.gz QVARGBRFPYZDAH-YMISUZCDSA-N 2 2 390.955 3.910 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC001246914680 1037721511 /nfs/dbraw/zinc/72/15/11/1037721511.db2.gz ZWBZUAMGAJMIBF-PLRSXRBSSA-N 3 2 393.550 3.991 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC001246914680 1037721528 /nfs/dbraw/zinc/72/15/28/1037721528.db2.gz ZWBZUAMGAJMIBF-PLRSXRBSSA-N 3 2 393.550 3.991 20 0 GHADLP FCc1cccc(C[NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)n1 ZINC001232537494 1038303785 /nfs/dbraw/zinc/30/37/85/1038303785.db2.gz HMRHWOZCRKOKQZ-UHFFFAOYSA-N 2 2 375.245 3.561 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3cccc(Cl)c3Br)no2)cc1 ZINC001247699315 1038339015 /nfs/dbraw/zinc/33/90/15/1038339015.db2.gz YOKGFKBKDPZJAW-CYBMUJFWSA-N 2 2 393.672 3.778 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc4ncsc4c2)CC3)cn1 ZINC001232739783 1038527848 /nfs/dbraw/zinc/52/78/48/1038527848.db2.gz GVDZAIRZBSJBGN-UHFFFAOYSA-N 2 2 381.549 3.660 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccc4ncsc4c2)CC3)cn1 ZINC001232739783 1038527851 /nfs/dbraw/zinc/52/78/51/1038527851.db2.gz GVDZAIRZBSJBGN-UHFFFAOYSA-N 2 2 381.549 3.660 20 0 GHADLP FC(F)(F)c1cccc(-n2cc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cn2)c1 ZINC001233042706 1038802194 /nfs/dbraw/zinc/80/21/94/1038802194.db2.gz YAZHQTMBFUHEPB-IBGZPJMESA-N 2 2 388.393 3.939 20 0 GHADLP FC(F)(F)c1cccc(-n2cc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cn2)c1 ZINC001233042706 1038802214 /nfs/dbraw/zinc/80/22/14/1038802214.db2.gz YAZHQTMBFUHEPB-IBGZPJMESA-N 2 2 388.393 3.939 20 0 GHADLP Clc1sccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001233056476 1038817658 /nfs/dbraw/zinc/81/76/58/1038817658.db2.gz HKEPDXKZCNKFNI-SJLPKXTDSA-N 2 2 377.941 3.519 20 0 GHADLP Clc1sccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001233056476 1038817684 /nfs/dbraw/zinc/81/76/84/1038817684.db2.gz HKEPDXKZCNKFNI-SJLPKXTDSA-N 2 2 377.941 3.519 20 0 GHADLP Clc1sccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001233056476 1038817708 /nfs/dbraw/zinc/81/77/08/1038817708.db2.gz HKEPDXKZCNKFNI-SJLPKXTDSA-N 2 2 377.941 3.519 20 0 GHADLP Clc1sccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001233056476 1038817730 /nfs/dbraw/zinc/81/77/30/1038817730.db2.gz HKEPDXKZCNKFNI-SJLPKXTDSA-N 2 2 377.941 3.519 20 0 GHADLP O[C@@H](COc1cccc2ccccc21)C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001252377674 1038966681 /nfs/dbraw/zinc/96/66/81/1038966681.db2.gz CSIYAOSGHCSWRN-LJQANCHMSA-N 2 2 378.472 3.518 20 0 GHADLP O=C(CC1CCC2(CC1)CC[NH+](Cc1cccc3[nH+]ccn31)CC2)N1CC=CC1 ZINC001233361939 1039189399 /nfs/dbraw/zinc/18/93/99/1039189399.db2.gz JSOOBPYVJLWVMY-UHFFFAOYSA-N 2 2 392.547 3.895 20 0 GHADLP O[C@@H](C[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21)c1ccc(F)c(F)c1 ZINC001253361915 1039574412 /nfs/dbraw/zinc/57/44/12/1039574412.db2.gz UQJRVOUAPSTKCC-JKRYIOFBSA-N 2 2 388.502 3.893 20 0 GHADLP O[C@@H](C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21)c1ccc(F)c(F)c1 ZINC001253361915 1039574426 /nfs/dbraw/zinc/57/44/26/1039574426.db2.gz UQJRVOUAPSTKCC-JKRYIOFBSA-N 2 2 388.502 3.893 20 0 GHADLP O[C@@H](C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)c1ccc(F)c(F)c1 ZINC001253361915 1039574442 /nfs/dbraw/zinc/57/44/42/1039574442.db2.gz UQJRVOUAPSTKCC-JKRYIOFBSA-N 2 2 388.502 3.893 20 0 GHADLP O[C@@H](C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)c1ccc(F)c(F)c1 ZINC001253361915 1039574454 /nfs/dbraw/zinc/57/44/54/1039574454.db2.gz UQJRVOUAPSTKCC-JKRYIOFBSA-N 2 2 388.502 3.893 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001462384143 1070216662 /nfs/dbraw/zinc/21/66/62/1070216662.db2.gz CDZKTMQZFXAXTP-OLMNPRSZSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001462384143 1070216668 /nfs/dbraw/zinc/21/66/68/1070216668.db2.gz CDZKTMQZFXAXTP-OLMNPRSZSA-N 2 2 394.357 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254297557 1040148318 /nfs/dbraw/zinc/14/83/18/1040148318.db2.gz OMDZDTDNTNBGEA-FHWLQOOXSA-N 2 2 388.556 3.948 20 0 GHADLP CCOC(OCC)c1ccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)cc1 ZINC001234900219 1040412443 /nfs/dbraw/zinc/41/24/43/1040412443.db2.gz NNWGQVKPPIDSFN-UHFFFAOYSA-N 2 2 390.568 3.833 20 0 GHADLP CCOC(OCC)c1ccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)cc1 ZINC001234900219 1040412460 /nfs/dbraw/zinc/41/24/60/1040412460.db2.gz NNWGQVKPPIDSFN-UHFFFAOYSA-N 2 2 390.568 3.833 20 0 GHADLP COC(=O)c1ccnc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)c1 ZINC001235203335 1040689548 /nfs/dbraw/zinc/68/95/48/1040689548.db2.gz NKJOROIMURUZOP-WMQCIHAUSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccnc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)c1 ZINC001235203335 1040689554 /nfs/dbraw/zinc/68/95/54/1040689554.db2.gz NKJOROIMURUZOP-WMQCIHAUSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccnc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)c1 ZINC001235203335 1040689557 /nfs/dbraw/zinc/68/95/57/1040689557.db2.gz NKJOROIMURUZOP-WMQCIHAUSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccnc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)c1 ZINC001235203335 1040689564 /nfs/dbraw/zinc/68/95/64/1040689564.db2.gz NKJOROIMURUZOP-WMQCIHAUSA-N 2 2 399.560 3.662 20 0 GHADLP Fc1cccc2cc(C[NH+]3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)[nH]c21 ZINC001235242884 1040725382 /nfs/dbraw/zinc/72/53/82/1040725382.db2.gz KDYXROAEYWQFJP-UHFFFAOYSA-N 2 2 380.467 3.573 20 0 GHADLP COc1ccccc1C[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255099951 1040782067 /nfs/dbraw/zinc/78/20/67/1040782067.db2.gz NLEZUQYAVYWBQK-QHCPKHFHSA-N 2 2 379.548 3.524 20 0 GHADLP COc1ccccc1C[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255099951 1040782083 /nfs/dbraw/zinc/78/20/83/1040782083.db2.gz NLEZUQYAVYWBQK-QHCPKHFHSA-N 2 2 379.548 3.524 20 0 GHADLP Cc1cccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)n1 ZINC001255137223 1040840794 /nfs/dbraw/zinc/84/07/94/1040840794.db2.gz PQSKCYQTWZLSSP-NUNAXRQHSA-N 2 2 376.548 3.708 20 0 GHADLP Cc1cccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)n1 ZINC001255137223 1040840807 /nfs/dbraw/zinc/84/08/07/1040840807.db2.gz PQSKCYQTWZLSSP-NUNAXRQHSA-N 2 2 376.548 3.708 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235369369 1040870254 /nfs/dbraw/zinc/87/02/54/1040870254.db2.gz MGAYELBKDMWCJC-NOZRDPDXSA-N 3 2 386.543 3.934 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235369369 1040870270 /nfs/dbraw/zinc/87/02/70/1040870270.db2.gz MGAYELBKDMWCJC-NOZRDPDXSA-N 3 2 386.543 3.934 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)ccc1OCc1ccccc1 ZINC001235407789 1040918938 /nfs/dbraw/zinc/91/89/38/1040918938.db2.gz TZWYBFDKIDSVFG-XZOQPEGZSA-N 2 2 384.495 3.798 20 0 GHADLP COc1cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)ccc1OCc1ccccc1 ZINC001235407789 1040918952 /nfs/dbraw/zinc/91/89/52/1040918952.db2.gz TZWYBFDKIDSVFG-XZOQPEGZSA-N 2 2 384.495 3.798 20 0 GHADLP Brc1ccc2c(c1)[nH]nc2C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431128 1040931825 /nfs/dbraw/zinc/93/18/25/1040931825.db2.gz VBKAIGABGSZMKW-KGLIPLIRSA-N 2 2 377.330 3.537 20 0 GHADLP Brc1ccc2c(c1)[nH]nc2C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431128 1040931827 /nfs/dbraw/zinc/93/18/27/1040931827.db2.gz VBKAIGABGSZMKW-KGLIPLIRSA-N 2 2 377.330 3.537 20 0 GHADLP CCOC(=O)C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cccnc1 ZINC001255394567 1040982055 /nfs/dbraw/zinc/98/20/55/1040982055.db2.gz VXZVLUSVFIRNSP-VXKWHMMOSA-N 2 2 381.520 3.720 20 0 GHADLP CCOC(=O)C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cccnc1 ZINC001255394567 1040982056 /nfs/dbraw/zinc/98/20/56/1040982056.db2.gz VXZVLUSVFIRNSP-VXKWHMMOSA-N 2 2 381.520 3.720 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001255401191 1040987882 /nfs/dbraw/zinc/98/78/82/1040987882.db2.gz ROTPEPDGLWUEKG-LOSJGSFVSA-N 3 2 399.623 3.864 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001255401191 1040987883 /nfs/dbraw/zinc/98/78/83/1040987883.db2.gz ROTPEPDGLWUEKG-LOSJGSFVSA-N 3 2 399.623 3.864 20 0 GHADLP COc1ccc(CN2CC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255404382 1040992251 /nfs/dbraw/zinc/99/22/51/1040992251.db2.gz RWWAOJPZTWSJLL-XMMPIXPASA-N 2 2 393.575 3.868 20 0 GHADLP COc1ccc(CN2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255404382 1040992258 /nfs/dbraw/zinc/99/22/58/1040992258.db2.gz RWWAOJPZTWSJLL-XMMPIXPASA-N 2 2 393.575 3.868 20 0 GHADLP FC1(F)CN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC[C@H]1[NH+]1CCCC1 ZINC001255408840 1040996012 /nfs/dbraw/zinc/99/60/12/1040996012.db2.gz CRWGXYJSQKKYDG-LEWJYISDSA-N 2 2 377.523 3.847 20 0 GHADLP FC1(F)CN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@H]1[NH+]1CCCC1 ZINC001255408840 1040996015 /nfs/dbraw/zinc/99/60/15/1040996015.db2.gz CRWGXYJSQKKYDG-LEWJYISDSA-N 2 2 377.523 3.847 20 0 GHADLP c1cn(Cc2ccc(-c3nnc([C@H]4CC[N@H+](Cc5ccccc5)C4)o3)cc2)c[nH+]1 ZINC001255467813 1041070708 /nfs/dbraw/zinc/07/07/08/1041070708.db2.gz AYRHIJFZGWLIBX-NRFANRHFSA-N 2 2 385.471 3.971 20 0 GHADLP c1cn(Cc2ccc(-c3nnc([C@H]4CC[N@@H+](Cc5ccccc5)C4)o3)cc2)c[nH+]1 ZINC001255467813 1041070736 /nfs/dbraw/zinc/07/07/36/1041070736.db2.gz AYRHIJFZGWLIBX-NRFANRHFSA-N 2 2 385.471 3.971 20 0 GHADLP COc1ccc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c(Cl)c1 ZINC001235646674 1041087931 /nfs/dbraw/zinc/08/79/31/1041087931.db2.gz MCLHANGWTRWDKL-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP COc1ccc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c(Cl)c1 ZINC001235646674 1041087958 /nfs/dbraw/zinc/08/79/58/1041087958.db2.gz MCLHANGWTRWDKL-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP Cc1cc(Br)cc(C)c1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001235787112 1041276434 /nfs/dbraw/zinc/27/64/34/1041276434.db2.gz ZZDKRZCMKQDOBF-UHFFFAOYSA-N 2 2 380.330 3.696 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)c1ccccc1Cl ZINC001255896648 1041380955 /nfs/dbraw/zinc/38/09/55/1041380955.db2.gz MENWVXUMKKQGBQ-FQEVSTJZSA-N 2 2 397.910 3.734 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC001255952051 1041433982 /nfs/dbraw/zinc/43/39/82/1041433982.db2.gz SKGUEVYIZBNQHL-AVRDEDQJSA-N 2 2 388.577 3.890 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(C[C@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001255958712 1041436461 /nfs/dbraw/zinc/43/64/61/1041436461.db2.gz FDAOAZYCLWWSNK-PMACEKPBSA-N 3 2 393.641 3.924 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001255958712 1041436470 /nfs/dbraw/zinc/43/64/70/1041436470.db2.gz FDAOAZYCLWWSNK-PMACEKPBSA-N 3 2 393.641 3.924 20 0 GHADLP COCCC[N@H+](Cc1cccc(Br)c1Cl)C1CC[NH2+]CC1 ZINC001235939677 1041445493 /nfs/dbraw/zinc/44/54/93/1041445493.db2.gz GGNBPRKQUKGXLF-UHFFFAOYSA-N 2 2 375.738 3.693 20 0 GHADLP COCCC[N@@H+](Cc1cccc(Br)c1Cl)C1CC[NH2+]CC1 ZINC001235939677 1041445498 /nfs/dbraw/zinc/44/54/98/1041445498.db2.gz GGNBPRKQUKGXLF-UHFFFAOYSA-N 2 2 375.738 3.693 20 0 GHADLP O=C(NC1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC001256081601 1041512672 /nfs/dbraw/zinc/51/26/72/1041512672.db2.gz ATOAHFIYNVURIP-UHFFFAOYSA-N 2 2 395.469 3.526 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236215117 1041625927 /nfs/dbraw/zinc/62/59/27/1041625927.db2.gz HJYQGPGAIGRATP-SFTDATJTSA-N 2 2 382.504 3.754 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236215117 1041625937 /nfs/dbraw/zinc/62/59/37/1041625937.db2.gz HJYQGPGAIGRATP-SFTDATJTSA-N 2 2 382.504 3.754 20 0 GHADLP C[C@@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001256215124 1041653297 /nfs/dbraw/zinc/65/32/97/1041653297.db2.gz PXRNHXAWJUNYCP-YJBOKZPZSA-N 2 2 381.358 3.613 20 0 GHADLP C[C@@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001256215124 1041653310 /nfs/dbraw/zinc/65/33/10/1041653310.db2.gz PXRNHXAWJUNYCP-YJBOKZPZSA-N 2 2 381.358 3.613 20 0 GHADLP COC(=O)c1cc2cc(C[N@H+](Cc3ccccc3F)C3CC[NH2+]CC3)ccc2[nH]1 ZINC001236370553 1041685404 /nfs/dbraw/zinc/68/54/04/1041685404.db2.gz HHONUQOFGWFAFF-UHFFFAOYSA-N 2 2 395.478 3.848 20 0 GHADLP COC(=O)c1cc2cc(C[N@@H+](Cc3ccccc3F)C3CC[NH2+]CC3)ccc2[nH]1 ZINC001236370553 1041685408 /nfs/dbraw/zinc/68/54/08/1041685408.db2.gz HHONUQOFGWFAFF-UHFFFAOYSA-N 2 2 395.478 3.848 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](C3CCN(c4ccc(Cl)cc4)CC3)CC2)c1 ZINC001256316046 1041700457 /nfs/dbraw/zinc/70/04/57/1041700457.db2.gz PWYDKBYFBPMDAL-UHFFFAOYSA-N 2 2 386.927 3.535 20 0 GHADLP COC(=O)c1cccc(C[N@H+](Cc2cc(C)ccc2OC)C2CC[NH2+]CC2)c1 ZINC001236466352 1041728663 /nfs/dbraw/zinc/72/86/63/1041728663.db2.gz ZIUOBOHJMCQPHA-UHFFFAOYSA-N 2 2 382.504 3.544 20 0 GHADLP COC(=O)c1cccc(C[N@@H+](Cc2cc(C)ccc2OC)C2CC[NH2+]CC2)c1 ZINC001236466352 1041728665 /nfs/dbraw/zinc/72/86/65/1041728665.db2.gz ZIUOBOHJMCQPHA-UHFFFAOYSA-N 2 2 382.504 3.544 20 0 GHADLP COc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)ccc1OC(=O)c1cccs1 ZINC001236470010 1041730400 /nfs/dbraw/zinc/73/04/00/1041730400.db2.gz ZDFURCBWAKUPMM-QGZVFWFLSA-N 2 2 388.533 3.938 20 0 GHADLP COc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)ccc1OC(=O)c1cccs1 ZINC001236470010 1041730408 /nfs/dbraw/zinc/73/04/08/1041730408.db2.gz ZDFURCBWAKUPMM-QGZVFWFLSA-N 2 2 388.533 3.938 20 0 GHADLP Clc1cc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]C2)ccc1-n1cc[nH+]c1 ZINC001236487559 1041736659 /nfs/dbraw/zinc/73/66/59/1041736659.db2.gz BFVJQUFIRQJIDA-IBGZPJMESA-N 2 2 381.911 3.675 20 0 GHADLP Cc1cccc(C[N@@H+](Cc2nn(C)cc2Br)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236728512 1041860367 /nfs/dbraw/zinc/86/03/67/1041860367.db2.gz AEZYEAGBYBKAJS-QAQDUYKDSA-N 2 2 391.357 3.763 20 0 GHADLP Cc1cccc(C[N@H+](Cc2nn(C)cc2Br)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236728512 1041860373 /nfs/dbraw/zinc/86/03/73/1041860373.db2.gz AEZYEAGBYBKAJS-QAQDUYKDSA-N 2 2 391.357 3.763 20 0 GHADLP O=C1N(CC2CC2)CC[C@]12CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236904548 1041948451 /nfs/dbraw/zinc/94/84/51/1041948451.db2.gz UYKNOXRLSNOPGZ-QFIPXVFZSA-N 2 2 398.938 3.750 20 0 GHADLP O=C1N(CC2CC2)CC[C@]12CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236904548 1041948455 /nfs/dbraw/zinc/94/84/55/1041948455.db2.gz UYKNOXRLSNOPGZ-QFIPXVFZSA-N 2 2 398.938 3.750 20 0 GHADLP O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)N1CC1CC1 ZINC001236903626 1041948467 /nfs/dbraw/zinc/94/84/67/1041948467.db2.gz NPQWMVKISGXZSH-PMACEKPBSA-N 2 2 384.911 3.501 20 0 GHADLP O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)N1CC1CC1 ZINC001236903626 1041948470 /nfs/dbraw/zinc/94/84/70/1041948470.db2.gz NPQWMVKISGXZSH-PMACEKPBSA-N 2 2 384.911 3.501 20 0 GHADLP Clc1cc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)ccc1-n1cc[nH+]c1 ZINC001236905397 1041949402 /nfs/dbraw/zinc/94/94/02/1041949402.db2.gz NUKWEWKRZVWWJC-UHFFFAOYSA-N 2 2 379.895 3.794 20 0 GHADLP Clc1cc(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)ccc1-n1cc[nH+]c1 ZINC001236905397 1041949406 /nfs/dbraw/zinc/94/94/06/1041949406.db2.gz NUKWEWKRZVWWJC-UHFFFAOYSA-N 2 2 379.895 3.794 20 0 GHADLP COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)c1 ZINC001236911259 1041953041 /nfs/dbraw/zinc/95/30/41/1041953041.db2.gz WVSUSVHDVQIIFJ-QGZVFWFLSA-N 2 2 384.867 3.583 20 0 GHADLP COc1ccnc(O[C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)c1 ZINC001236911259 1041953043 /nfs/dbraw/zinc/95/30/43/1041953043.db2.gz WVSUSVHDVQIIFJ-QGZVFWFLSA-N 2 2 384.867 3.583 20 0 GHADLP COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236917289 1041957204 /nfs/dbraw/zinc/95/72/04/1041957204.db2.gz JOEULDBYPFEOAK-WOJBJXKFSA-N 2 2 375.900 3.543 20 0 GHADLP COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236917289 1041957206 /nfs/dbraw/zinc/95/72/06/1041957206.db2.gz JOEULDBYPFEOAK-WOJBJXKFSA-N 2 2 375.900 3.543 20 0 GHADLP CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236921181 1041959466 /nfs/dbraw/zinc/95/94/66/1041959466.db2.gz GCRVSXAWJVFKTB-NRFANRHFSA-N 2 2 386.927 3.893 20 0 GHADLP CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236921181 1041959474 /nfs/dbraw/zinc/95/94/74/1041959474.db2.gz GCRVSXAWJVFKTB-NRFANRHFSA-N 2 2 386.927 3.893 20 0 GHADLP CN1c2ccccc2[C@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)C1=O ZINC001236924159 1041960944 /nfs/dbraw/zinc/96/09/44/1041960944.db2.gz ZVPZIODUNSAYAQ-JOCHJYFZSA-N 2 2 392.890 3.646 20 0 GHADLP CN1c2ccccc2[C@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)C1=O ZINC001236924159 1041960946 /nfs/dbraw/zinc/96/09/46/1041960946.db2.gz ZVPZIODUNSAYAQ-JOCHJYFZSA-N 2 2 392.890 3.646 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)ccc1C(F)F ZINC001237270749 1042115948 /nfs/dbraw/zinc/11/59/48/1042115948.db2.gz UVLIKWIFGLSRBH-OAQYLSRUSA-N 2 2 382.495 3.956 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)ccc1C(F)F ZINC001237270749 1042115951 /nfs/dbraw/zinc/11/59/51/1042115951.db2.gz UVLIKWIFGLSRBH-OAQYLSRUSA-N 2 2 382.495 3.956 20 0 GHADLP COc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)ccc1C(F)F ZINC001237270749 1042115953 /nfs/dbraw/zinc/11/59/53/1042115953.db2.gz UVLIKWIFGLSRBH-OAQYLSRUSA-N 2 2 382.495 3.956 20 0 GHADLP COc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)ccc1C(F)F ZINC001237270749 1042115956 /nfs/dbraw/zinc/11/59/56/1042115956.db2.gz UVLIKWIFGLSRBH-OAQYLSRUSA-N 2 2 382.495 3.956 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4cnc(-c5ccccc5)o4)CC3)C2)co1 ZINC001237366587 1042173702 /nfs/dbraw/zinc/17/37/02/1042173702.db2.gz XKPKJPWMNBJAPH-UHFFFAOYSA-N 2 2 393.487 3.802 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4cnc(-c5ccccc5)o4)CC3)C2)co1 ZINC001237366587 1042173705 /nfs/dbraw/zinc/17/37/05/1042173705.db2.gz XKPKJPWMNBJAPH-UHFFFAOYSA-N 2 2 393.487 3.802 20 0 GHADLP CCc1cc(C[N@@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)ccc1Cl ZINC001237746705 1042350751 /nfs/dbraw/zinc/35/07/51/1042350751.db2.gz VRUMWADVTBUMDY-UHFFFAOYSA-N 2 2 390.959 3.583 20 0 GHADLP CCc1cc(C[N@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)ccc1Cl ZINC001237746705 1042350758 /nfs/dbraw/zinc/35/07/58/1042350758.db2.gz VRUMWADVTBUMDY-UHFFFAOYSA-N 2 2 390.959 3.583 20 0 GHADLP CCOc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)ccc1C ZINC001238073687 1042482058 /nfs/dbraw/zinc/48/20/58/1042482058.db2.gz POYILZVNJZTGKQ-UHFFFAOYSA-N 2 2 384.520 3.854 20 0 GHADLP CCOc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)ccc1C ZINC001238073687 1042482060 /nfs/dbraw/zinc/48/20/60/1042482060.db2.gz POYILZVNJZTGKQ-UHFFFAOYSA-N 2 2 384.520 3.854 20 0 GHADLP CC(C)NC(=O)c1ccccc1OC1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238119721 1042496711 /nfs/dbraw/zinc/49/67/11/1042496711.db2.gz QVNKMYIVQSONTR-UHFFFAOYSA-N 2 2 392.503 3.516 20 0 GHADLP C[C@H]1C[C@H]([NH+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256536811 1043479403 /nfs/dbraw/zinc/47/94/03/1043479403.db2.gz GBTJNTFXCBCBMD-PDGJWGCVSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@H]1C[C@H]([NH+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001256536811 1043479415 /nfs/dbraw/zinc/47/94/15/1043479415.db2.gz GBTJNTFXCBCBMD-PDGJWGCVSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@H]1C[C@H]([N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC[NH+]1Cc1ccccc1 ZINC001256536811 1043479426 /nfs/dbraw/zinc/47/94/26/1043479426.db2.gz GBTJNTFXCBCBMD-PDGJWGCVSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@H]1C[C@H]([N@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC[NH+]1Cc1ccccc1 ZINC001256536811 1043479434 /nfs/dbraw/zinc/47/94/34/1043479434.db2.gz GBTJNTFXCBCBMD-PDGJWGCVSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCCN(Cc3ccncc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256538389 1043485008 /nfs/dbraw/zinc/48/50/08/1043485008.db2.gz SRTMSMCQWOHINA-ZJSXRUAMSA-N 2 2 378.564 3.642 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCCN(Cc3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538389 1043485015 /nfs/dbraw/zinc/48/50/15/1043485015.db2.gz SRTMSMCQWOHINA-ZJSXRUAMSA-N 2 2 378.564 3.642 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+]2CCCN(Cc3ccncc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256538389 1043485020 /nfs/dbraw/zinc/48/50/20/1043485020.db2.gz SRTMSMCQWOHINA-ZJSXRUAMSA-N 2 2 378.564 3.642 20 0 GHADLP C[C@@H]1C[C@H]([N@H+]2CCCN(Cc3ccncc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256538389 1043485029 /nfs/dbraw/zinc/48/50/29/1043485029.db2.gz SRTMSMCQWOHINA-ZJSXRUAMSA-N 2 2 378.564 3.642 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256545839 1043502073 /nfs/dbraw/zinc/50/20/73/1043502073.db2.gz VNPKMBSDVYGTRW-GPDNFFQDSA-N 2 2 384.564 3.698 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256545839 1043502089 /nfs/dbraw/zinc/50/20/89/1043502089.db2.gz VNPKMBSDVYGTRW-GPDNFFQDSA-N 2 2 384.564 3.698 20 0 GHADLP C[C@H]1C[C@H]([N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)CC[NH+]1Cc1ccccc1 ZINC001256545839 1043502108 /nfs/dbraw/zinc/50/21/08/1043502108.db2.gz VNPKMBSDVYGTRW-GPDNFFQDSA-N 2 2 384.564 3.698 20 0 GHADLP C[C@H]1C[C@H]([N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)CC[NH+]1Cc1ccccc1 ZINC001256545839 1043502127 /nfs/dbraw/zinc/50/21/27/1043502127.db2.gz VNPKMBSDVYGTRW-GPDNFFQDSA-N 2 2 384.564 3.698 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C[NH+](C3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC001256605062 1043566937 /nfs/dbraw/zinc/56/69/37/1043566937.db2.gz AEQMUTVDAFFSOY-UHFFFAOYSA-N 2 2 399.579 3.984 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+]([C@@H]4CCO[C@@H](c5ccccc5)C4)CC3)C2)co1 ZINC001256811821 1043666521 /nfs/dbraw/zinc/66/65/21/1043666521.db2.gz PFTGORHBAWBZTL-DHIUTWEWSA-N 2 2 396.531 3.867 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+]([C@@H]4CCO[C@@H](c5ccccc5)C4)CC3)C2)co1 ZINC001256811821 1043666530 /nfs/dbraw/zinc/66/65/30/1043666530.db2.gz PFTGORHBAWBZTL-DHIUTWEWSA-N 2 2 396.531 3.867 20 0 GHADLP CC(C)C[C@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)n1cc[nH+]c1 ZINC001292329606 1043687063 /nfs/dbraw/zinc/68/70/63/1043687063.db2.gz DBDXTBKHXQTSPQ-HXUWFJFHSA-N 2 2 386.565 3.700 20 0 GHADLP Cc1cc(C[NH+]2CC3(C2)CC[NH+](Cc2cc(F)ccc2Cl)CC3)n(C)n1 ZINC001278968547 1043699289 /nfs/dbraw/zinc/69/92/89/1043699289.db2.gz MDKJYOXWGGMUJE-UHFFFAOYSA-N 2 2 376.907 3.619 20 0 GHADLP Fc1cccc(F)c1CN1CCC([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256910181 1043737290 /nfs/dbraw/zinc/73/72/90/1043737290.db2.gz YELKDPLTQSDQQK-GOSISDBHSA-N 2 2 377.523 3.926 20 0 GHADLP Fc1cccc(F)c1CN1CCC([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256910181 1043737298 /nfs/dbraw/zinc/73/72/98/1043737298.db2.gz YELKDPLTQSDQQK-GOSISDBHSA-N 2 2 377.523 3.926 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C1 ZINC001257062119 1043826095 /nfs/dbraw/zinc/82/60/95/1043826095.db2.gz KFYRAVRTKLVEHS-NVXWUHKLSA-N 2 2 387.911 3.742 20 0 GHADLP COc1cccc([C@H](CNC(=O)OC(C)(C)C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC001257213532 1043938949 /nfs/dbraw/zinc/93/89/49/1043938949.db2.gz PQRJAAUMRLLVNI-FQEVSTJZSA-N 2 2 391.556 3.723 20 0 GHADLP C[C@H]1CC([NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257572968 1044059781 /nfs/dbraw/zinc/05/97/81/1044059781.db2.gz AMOCWHHEAOTOIU-IRXDYDNUSA-N 2 2 388.556 3.817 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001257805144 1044188325 /nfs/dbraw/zinc/18/83/25/1044188325.db2.gz PSSPOPQXZMUWHL-GCJKJVERSA-N 2 2 384.524 3.994 20 0 GHADLP COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001258388814 1044529837 /nfs/dbraw/zinc/52/98/37/1044529837.db2.gz LKVIJSVEHGIEAN-HXUWFJFHSA-N 2 2 398.547 3.517 20 0 GHADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001258684281 1044712912 /nfs/dbraw/zinc/71/29/12/1044712912.db2.gz QXAIXPSLDXSJPM-CQSZACIVSA-N 2 2 398.378 3.586 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001258770547 1044756470 /nfs/dbraw/zinc/75/64/70/1044756470.db2.gz MAFHVFREPUQVEJ-UHFFFAOYSA-N 3 2 383.502 3.916 20 0 GHADLP CC[C@@H](C(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C)[NH+](C)C ZINC001298564314 1045872555 /nfs/dbraw/zinc/87/25/55/1045872555.db2.gz LFPBVMIDSLOUFM-UXHICEINSA-N 2 2 379.976 3.739 20 0 GHADLP CC[C@@H](C(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C)[NH+](C)C ZINC001298564314 1045872581 /nfs/dbraw/zinc/87/25/81/1045872581.db2.gz LFPBVMIDSLOUFM-UXHICEINSA-N 2 2 379.976 3.739 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001261908589 1046131046 /nfs/dbraw/zinc/13/10/46/1046131046.db2.gz RVDFIZYKKKFSFN-IYBDPMFKSA-N 2 2 399.495 3.598 20 0 GHADLP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC001262558596 1046269209 /nfs/dbraw/zinc/26/92/09/1046269209.db2.gz KFDZTNWZTQXMSU-UYAOXDASSA-N 2 2 399.922 3.695 20 0 GHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000583748087 1046634886 /nfs/dbraw/zinc/63/48/86/1046634886.db2.gz QEJWIRTYKGHIJD-DLBZAZTESA-N 2 2 395.469 3.707 20 0 GHADLP CC(C)c1csc([C@@H]2CCC[N@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)C2)n1 ZINC000607755550 1047359886 /nfs/dbraw/zinc/35/98/86/1047359886.db2.gz RQDYICVLXMHKEP-WOJBJXKFSA-N 2 2 387.593 3.939 20 0 GHADLP CC(C)c1csc([C@@H]2CCC[N@@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)C2)n1 ZINC000607755550 1047359896 /nfs/dbraw/zinc/35/98/96/1047359896.db2.gz RQDYICVLXMHKEP-WOJBJXKFSA-N 2 2 387.593 3.939 20 0 GHADLP CC(C)c1csc([C@@H]2CCC[NH+](C[C@H](O)C[N@H+](C)Cc3ccccc3)C2)n1 ZINC000607755550 1047359906 /nfs/dbraw/zinc/35/99/06/1047359906.db2.gz RQDYICVLXMHKEP-WOJBJXKFSA-N 2 2 387.593 3.939 20 0 GHADLP CC(C)c1csc([C@@H]2CCC[NH+](C[C@H](O)C[N@@H+](C)Cc3ccccc3)C2)n1 ZINC000607755550 1047359917 /nfs/dbraw/zinc/35/99/17/1047359917.db2.gz RQDYICVLXMHKEP-WOJBJXKFSA-N 2 2 387.593 3.939 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000668171313 1047497716 /nfs/dbraw/zinc/49/77/16/1047497716.db2.gz JWKCJMIKCHBLBR-FUHWJXTLSA-N 2 2 375.398 3.654 20 0 GHADLP Fc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001279384648 1047788188 /nfs/dbraw/zinc/78/81/88/1047788188.db2.gz XOTOEXXKHZCNEF-CALCHBBNSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001279384648 1047788193 /nfs/dbraw/zinc/78/81/93/1047788193.db2.gz XOTOEXXKHZCNEF-CALCHBBNSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1ccc(Cl)cc1C[NH+]1C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001279384648 1047788199 /nfs/dbraw/zinc/78/81/99/1047788199.db2.gz XOTOEXXKHZCNEF-CALCHBBNSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1ccc(Cl)cc1C[NH+]1C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001279384648 1047788203 /nfs/dbraw/zinc/78/82/03/1047788203.db2.gz XOTOEXXKHZCNEF-CALCHBBNSA-N 3 2 376.907 3.520 20 0 GHADLP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3cccc(Cl)c3F)CC2)C1 ZINC001279439298 1047806903 /nfs/dbraw/zinc/80/69/03/1047806903.db2.gz MUABVHHCMLSSMI-UHFFFAOYSA-N 2 2 384.923 3.778 20 0 GHADLP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3cccc(Cl)c3F)CC2)C1 ZINC001279439298 1047806910 /nfs/dbraw/zinc/80/69/10/1047806910.db2.gz MUABVHHCMLSSMI-UHFFFAOYSA-N 2 2 384.923 3.778 20 0 GHADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501765 1047826245 /nfs/dbraw/zinc/82/62/45/1047826245.db2.gz JKQCSJSALKWNLA-MOPGFXCFSA-N 3 2 375.523 3.849 20 0 GHADLP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501765 1047826252 /nfs/dbraw/zinc/82/62/52/1047826252.db2.gz JKQCSJSALKWNLA-MOPGFXCFSA-N 3 2 375.523 3.849 20 0 GHADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501765 1047826261 /nfs/dbraw/zinc/82/62/61/1047826261.db2.gz JKQCSJSALKWNLA-MOPGFXCFSA-N 3 2 375.523 3.849 20 0 GHADLP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501765 1047826269 /nfs/dbraw/zinc/82/62/69/1047826269.db2.gz JKQCSJSALKWNLA-MOPGFXCFSA-N 3 2 375.523 3.849 20 0 GHADLP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)c(F)c(Cl)c1)CC2 ZINC001279647735 1047889773 /nfs/dbraw/zinc/88/97/73/1047889773.db2.gz UOVPUDLLVDZVKX-UHFFFAOYSA-N 2 2 388.358 3.982 20 0 GHADLP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)c(F)c(Cl)c1)CC2 ZINC001279647735 1047889784 /nfs/dbraw/zinc/88/97/84/1047889784.db2.gz UOVPUDLLVDZVKX-UHFFFAOYSA-N 2 2 388.358 3.982 20 0 GHADLP O=C1NCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1CC1CCCCC1 ZINC001307855664 1049637736 /nfs/dbraw/zinc/63/77/36/1049637736.db2.gz ZLVBYTGJJSBAQN-QHCPKHFHSA-N 2 2 383.580 3.943 20 0 GHADLP O=C1NCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1CC1CCCCC1 ZINC001307855664 1049637740 /nfs/dbraw/zinc/63/77/40/1049637740.db2.gz ZLVBYTGJJSBAQN-QHCPKHFHSA-N 2 2 383.580 3.943 20 0 GHADLP COC[C@H](C)[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC001307977541 1049736033 /nfs/dbraw/zinc/73/60/33/1049736033.db2.gz ZEFJEZUUAUBJCR-APTRMMRNSA-N 2 2 382.548 3.504 20 0 GHADLP COC[C@H](C)[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC001307977541 1049736039 /nfs/dbraw/zinc/73/60/39/1049736039.db2.gz ZEFJEZUUAUBJCR-APTRMMRNSA-N 2 2 382.548 3.504 20 0 GHADLP COC[C@H](C)[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC001307977541 1049736047 /nfs/dbraw/zinc/73/60/47/1049736047.db2.gz ZEFJEZUUAUBJCR-APTRMMRNSA-N 2 2 382.548 3.504 20 0 GHADLP COC[C@H](C)[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC001307977541 1049736053 /nfs/dbraw/zinc/73/60/53/1049736053.db2.gz ZEFJEZUUAUBJCR-APTRMMRNSA-N 2 2 382.548 3.504 20 0 GHADLP CCC1([NH+](C)C)CC[NH+](C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC001307981172 1049737958 /nfs/dbraw/zinc/73/79/58/1049737958.db2.gz DSHQTMWUNLRPKL-QGZVFWFLSA-N 2 2 387.337 3.602 20 0 GHADLP OCC1CC[NH+](Cc2ccccc2NCc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC001308307140 1049944878 /nfs/dbraw/zinc/94/48/78/1049944878.db2.gz WQVGMKBXZXMBJU-UHFFFAOYSA-N 2 2 382.533 3.750 20 0 GHADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)n1 ZINC001308450364 1049979332 /nfs/dbraw/zinc/97/93/32/1049979332.db2.gz HHERANINTQTVJF-QZTJIDSGSA-N 2 2 378.442 3.998 20 0 GHADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)n1 ZINC001308450364 1049979335 /nfs/dbraw/zinc/97/93/35/1049979335.db2.gz HHERANINTQTVJF-QZTJIDSGSA-N 2 2 378.442 3.998 20 0 GHADLP CC[N@@H+](Cc1sc(N(C)C)nc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC001308611252 1050031740 /nfs/dbraw/zinc/03/17/40/1050031740.db2.gz QKZJQYOVLRIJCN-UHFFFAOYSA-N 2 2 393.988 3.996 20 0 GHADLP CC[N@H+](Cc1sc(N(C)C)nc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC001308611252 1050031745 /nfs/dbraw/zinc/03/17/45/1050031745.db2.gz QKZJQYOVLRIJCN-UHFFFAOYSA-N 2 2 393.988 3.996 20 0 GHADLP CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C2 ZINC001308710974 1050067545 /nfs/dbraw/zinc/06/75/45/1050067545.db2.gz ZEAPWTQMELDOII-GBAAUQCPSA-N 2 2 384.564 3.999 20 0 GHADLP CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C2 ZINC001308710974 1050067551 /nfs/dbraw/zinc/06/75/51/1050067551.db2.gz ZEAPWTQMELDOII-GBAAUQCPSA-N 2 2 384.564 3.999 20 0 GHADLP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1CC[NH+](C)[C@H](c2ccc(Br)cc2)C1 ZINC001308803002 1050101095 /nfs/dbraw/zinc/10/10/95/1050101095.db2.gz QVTOMZJQVAGETN-MNEFBYGVSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CC[NH+](C)[C@H](c2ccc(Br)cc2)C1 ZINC001308803002 1050101101 /nfs/dbraw/zinc/10/11/01/1050101101.db2.gz QVTOMZJQVAGETN-MNEFBYGVSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[N@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC001308803002 1050101105 /nfs/dbraw/zinc/10/11/05/1050101105.db2.gz QVTOMZJQVAGETN-MNEFBYGVSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[N@@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC001308803002 1050101109 /nfs/dbraw/zinc/10/11/09/1050101109.db2.gz QVTOMZJQVAGETN-MNEFBYGVSA-N 2 2 382.390 3.903 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC001327646853 1050242234 /nfs/dbraw/zinc/24/22/34/1050242234.db2.gz JGZPGQUJATXZCX-AWEZNQCLSA-N 2 2 393.890 3.713 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC001327646853 1050242248 /nfs/dbraw/zinc/24/22/48/1050242248.db2.gz JGZPGQUJATXZCX-AWEZNQCLSA-N 2 2 393.890 3.713 20 0 GHADLP COC(=O)[C@H](C)Oc1ccccc1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001308983182 1050244955 /nfs/dbraw/zinc/24/49/55/1050244955.db2.gz MCVKJJKMRNQNEA-ZWKOTPCHSA-N 2 2 399.535 3.958 20 0 GHADLP COC(=O)[C@H](C)Oc1ccccc1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001308983182 1050244965 /nfs/dbraw/zinc/24/49/65/1050244965.db2.gz MCVKJJKMRNQNEA-ZWKOTPCHSA-N 2 2 399.535 3.958 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)n2c1CCCC2 ZINC001308984217 1050245666 /nfs/dbraw/zinc/24/56/66/1050245666.db2.gz XQLIJAXBQOYRMX-KRWDZBQOSA-N 2 2 398.551 3.942 20 0 GHADLP COC(=O)c1cc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)n2c1CCCC2 ZINC001308984217 1050245676 /nfs/dbraw/zinc/24/56/76/1050245676.db2.gz XQLIJAXBQOYRMX-KRWDZBQOSA-N 2 2 398.551 3.942 20 0 GHADLP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1 ZINC001330377502 1051004425 /nfs/dbraw/zinc/00/44/25/1051004425.db2.gz HRBWZIGTFMOPHO-FQEVSTJZSA-N 2 2 393.522 3.537 20 0 GHADLP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1 ZINC001330377502 1051004434 /nfs/dbraw/zinc/00/44/34/1051004434.db2.gz HRBWZIGTFMOPHO-FQEVSTJZSA-N 2 2 393.522 3.537 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCC([NH+](C)CC(F)F)CC2)c1 ZINC001330377502 1051004456 /nfs/dbraw/zinc/00/44/56/1051004456.db2.gz HRBWZIGTFMOPHO-FQEVSTJZSA-N 2 2 393.522 3.537 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCC([NH+](C)CC(F)F)CC2)c1 ZINC001330377502 1051004463 /nfs/dbraw/zinc/00/44/63/1051004463.db2.gz HRBWZIGTFMOPHO-FQEVSTJZSA-N 2 2 393.522 3.537 20 0 GHADLP CC(C)[C@H]1CN(C(=O)Nc2cc[nH+]c(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC001311078880 1051834915 /nfs/dbraw/zinc/83/49/15/1051834915.db2.gz RJXKCODCZDAYEV-HXUWFJFHSA-N 2 2 381.524 3.522 20 0 GHADLP CC(C)[C@H]1CN(C(=O)Nc2cc[nH+]c(N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC001311078880 1051834918 /nfs/dbraw/zinc/83/49/18/1051834918.db2.gz RJXKCODCZDAYEV-HXUWFJFHSA-N 2 2 381.524 3.522 20 0 GHADLP Cc1cccc(CCCn2c(CC3CC3)nnc2N2CCC([NH2+]C(C)C)CC2)[nH+]1 ZINC001492526888 1052134807 /nfs/dbraw/zinc/13/48/07/1052134807.db2.gz ONMPLLLYYULTNO-UHFFFAOYSA-N 2 2 396.583 3.534 20 0 GHADLP CN(C(=O)NCCC1CCCCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001311446293 1052156356 /nfs/dbraw/zinc/15/63/56/1052156356.db2.gz CUEDBUAAGYAORV-FCHUYYIVSA-N 2 2 392.632 3.935 20 0 GHADLP CN(C(=O)NCCC1CCCCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001311446293 1052156362 /nfs/dbraw/zinc/15/63/62/1052156362.db2.gz CUEDBUAAGYAORV-FCHUYYIVSA-N 2 2 392.632 3.935 20 0 GHADLP FC(F)(F)c1ccc2c(cc[nH+]c2N2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001336977923 1052372075 /nfs/dbraw/zinc/37/20/75/1052372075.db2.gz NHGXVFPSMLMAKG-UHFFFAOYSA-N 2 2 379.426 3.991 20 0 GHADLP CCCCCCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001312016224 1052530780 /nfs/dbraw/zinc/53/07/80/1052530780.db2.gz XXBRHNPYPDEDMY-LJQANCHMSA-N 2 2 390.572 3.540 20 0 GHADLP CCCCCCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001312016224 1052530788 /nfs/dbraw/zinc/53/07/88/1052530788.db2.gz XXBRHNPYPDEDMY-LJQANCHMSA-N 2 2 390.572 3.540 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001312641780 1052821293 /nfs/dbraw/zinc/82/12/93/1052821293.db2.gz MVXJDUVNLPCUJG-IEBWSBKVSA-N 2 2 389.588 3.648 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001312641780 1052821299 /nfs/dbraw/zinc/82/12/99/1052821299.db2.gz MVXJDUVNLPCUJG-IEBWSBKVSA-N 2 2 389.588 3.648 20 0 GHADLP CN(C(=O)N[C@@H]1CCCC2(CC2)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001313342826 1053025179 /nfs/dbraw/zinc/02/51/79/1053025179.db2.gz OWHJVYPBROUCFF-HMXCVIKNSA-N 2 2 390.616 3.688 20 0 GHADLP CN(C(=O)N[C@@H]1CCCC2(CC2)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001313342826 1053025184 /nfs/dbraw/zinc/02/51/84/1053025184.db2.gz OWHJVYPBROUCFF-HMXCVIKNSA-N 2 2 390.616 3.688 20 0 GHADLP Cc1cc(CNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c2c([nH+]1)CCCC2 ZINC001342881251 1053406736 /nfs/dbraw/zinc/40/67/36/1053406736.db2.gz QUNNPMBKCQBOPS-UHFFFAOYSA-N 2 2 392.547 3.578 20 0 GHADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cnc(C2CC[NH2+]CC2)o1 ZINC001343395780 1053747362 /nfs/dbraw/zinc/74/73/62/1053747362.db2.gz VEVWRBZAPISSPA-UHFFFAOYSA-N 2 2 391.475 3.594 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(C)nc2onc(C(C)C)c21 ZINC001318518110 1054694003 /nfs/dbraw/zinc/69/40/03/1054694003.db2.gz SQANTWQZEIVGNM-UHFFFAOYSA-N 2 2 376.420 3.796 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](c2ccccc2)C2CC2)[nH+]1 ZINC001319385025 1055218140 /nfs/dbraw/zinc/21/81/40/1055218140.db2.gz MGXWZUPFDUMZSX-REWPJTCUSA-N 2 2 378.520 3.534 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)N[C@@H](c2ccccc2)C2CC2)[nH+]1 ZINC001319385025 1055218151 /nfs/dbraw/zinc/21/81/51/1055218151.db2.gz MGXWZUPFDUMZSX-REWPJTCUSA-N 2 2 378.520 3.534 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)N[C@H](c2ccccc2)C2CC2)[nH+]1 ZINC001319385023 1055218613 /nfs/dbraw/zinc/21/86/13/1055218613.db2.gz MGXWZUPFDUMZSX-NZQKXSOJSA-N 2 2 378.520 3.534 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)N[C@H](c2ccccc2)C2CC2)[nH+]1 ZINC001319385023 1055218626 /nfs/dbraw/zinc/21/86/26/1055218626.db2.gz MGXWZUPFDUMZSX-NZQKXSOJSA-N 2 2 378.520 3.534 20 0 GHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC001200703211 1056769473 /nfs/dbraw/zinc/76/94/73/1056769473.db2.gz LZBJBRSRWARIDU-QUCCMNQESA-N 2 2 394.437 3.558 20 0 GHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC001200703211 1056769482 /nfs/dbraw/zinc/76/94/82/1056769482.db2.gz LZBJBRSRWARIDU-QUCCMNQESA-N 2 2 394.437 3.558 20 0 GHADLP Fc1cccc2c1CC[C@@H]2[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001323485595 1056975788 /nfs/dbraw/zinc/97/57/88/1056975788.db2.gz LACRHPDTKMPEHJ-CVDCTZTESA-N 2 2 394.538 3.742 20 0 GHADLP Fc1cccc2c1CC[C@@H]2[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001323485595 1056975789 /nfs/dbraw/zinc/97/57/89/1056975789.db2.gz LACRHPDTKMPEHJ-CVDCTZTESA-N 2 2 394.538 3.742 20 0 GHADLP Fc1cccc2c1CC[C@@H]2[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001323485600 1056975890 /nfs/dbraw/zinc/97/58/90/1056975890.db2.gz LACRHPDTKMPEHJ-XXBNENTESA-N 2 2 394.538 3.742 20 0 GHADLP Fc1cccc2c1CC[C@@H]2[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001323485600 1056975892 /nfs/dbraw/zinc/97/58/92/1056975892.db2.gz LACRHPDTKMPEHJ-XXBNENTESA-N 2 2 394.538 3.742 20 0 GHADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848536358 1057157243 /nfs/dbraw/zinc/15/72/43/1057157243.db2.gz OBYRIFNRITZPBG-IBGZPJMESA-N 2 2 388.943 3.567 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000848909156 1057413862 /nfs/dbraw/zinc/41/38/62/1057413862.db2.gz MCDPCTYZBPCSQQ-RJRNSMGGSA-N 2 2 382.504 3.856 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000848909156 1057413869 /nfs/dbraw/zinc/41/38/69/1057413869.db2.gz MCDPCTYZBPCSQQ-RJRNSMGGSA-N 2 2 382.504 3.856 20 0 GHADLP C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)cc1 ZINC001326372978 1057469587 /nfs/dbraw/zinc/46/95/87/1057469587.db2.gz UJQSPVFYDADBTK-HNNXBMFYSA-N 2 2 377.492 3.821 20 0 GHADLP COc1cccc([C@@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000849090003 1057589063 /nfs/dbraw/zinc/58/90/63/1057589063.db2.gz NCENOWUZZTXGAW-GOSISDBHSA-N 2 2 394.441 3.631 20 0 GHADLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1 ZINC000849091535 1057590206 /nfs/dbraw/zinc/59/02/06/1057590206.db2.gz NFWLTJKAMDYFIR-KRWDZBQOSA-N 2 2 388.899 3.740 20 0 GHADLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1 ZINC000849091536 1057590314 /nfs/dbraw/zinc/59/03/14/1057590314.db2.gz NFWLTJKAMDYFIR-QGZVFWFLSA-N 2 2 388.899 3.740 20 0 GHADLP [NH3+][C@H](C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1cccc(Cl)c1 ZINC001327196436 1057619651 /nfs/dbraw/zinc/61/96/51/1057619651.db2.gz QNWLDEWATNORBJ-FQEVSTJZSA-N 2 2 397.910 3.841 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)[NH+]1CCCC[C@H]1C ZINC001441485874 1058793329 /nfs/dbraw/zinc/79/33/29/1058793329.db2.gz FROCTJZPXRHUQI-DBXWQHBBSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)[NH+]1CCCC[C@H]1C ZINC001441485874 1058793349 /nfs/dbraw/zinc/79/33/49/1058793349.db2.gz FROCTJZPXRHUQI-DBXWQHBBSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1cccc(F)c1)[N@@H+]1CCCC[C@H]1C ZINC001441485874 1058793369 /nfs/dbraw/zinc/79/33/69/1058793369.db2.gz FROCTJZPXRHUQI-DBXWQHBBSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1cccc(F)c1)[N@H+]1CCCC[C@H]1C ZINC001441485874 1058793389 /nfs/dbraw/zinc/79/33/89/1058793389.db2.gz FROCTJZPXRHUQI-DBXWQHBBSA-N 2 2 375.532 3.559 20 0 GHADLP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001448618363 1060227993 /nfs/dbraw/zinc/22/79/93/1060227993.db2.gz ATDFQWGOXVSRMG-WOJBJXKFSA-N 2 2 386.927 3.582 20 0 GHADLP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001448618363 1060228004 /nfs/dbraw/zinc/22/80/04/1060228004.db2.gz ATDFQWGOXVSRMG-WOJBJXKFSA-N 2 2 386.927 3.582 20 0 GHADLP CCc1cc(N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)nc(C)[nH+]1 ZINC001458414098 1063791365 /nfs/dbraw/zinc/79/13/65/1063791365.db2.gz PMDMFPVOQFENNK-UHFFFAOYSA-N 2 2 399.970 3.792 20 0 GHADLP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001350337757 1064059091 /nfs/dbraw/zinc/05/90/91/1064059091.db2.gz FEGMNSLTRSQCNK-JQIJEIRASA-N 2 2 380.479 3.924 20 0 GHADLP CC(C)[C@@H](CO)[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1ccccc1 ZINC001459559320 1064127599 /nfs/dbraw/zinc/12/75/99/1064127599.db2.gz FJBPEEPEAPLWPG-RUZDIDTESA-N 2 2 395.591 3.718 20 0 GHADLP CC(C)[C@@H](CO)[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1ccccc1 ZINC001459559320 1064127603 /nfs/dbraw/zinc/12/76/03/1064127603.db2.gz FJBPEEPEAPLWPG-RUZDIDTESA-N 2 2 395.591 3.718 20 0 GHADLP CCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC001459749333 1064199846 /nfs/dbraw/zinc/19/98/46/1064199846.db2.gz UOOZMPDTYWNVIJ-FQEVSTJZSA-N 2 2 395.547 3.758 20 0 GHADLP CCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC001459749333 1064199849 /nfs/dbraw/zinc/19/98/49/1064199849.db2.gz UOOZMPDTYWNVIJ-FQEVSTJZSA-N 2 2 395.547 3.758 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)C1 ZINC001464216498 1064911725 /nfs/dbraw/zinc/91/17/25/1064911725.db2.gz IMTNVIIXIVKFOW-FXELSEDVSA-N 2 2 386.584 3.927 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)C1 ZINC001464216498 1064911727 /nfs/dbraw/zinc/91/17/27/1064911727.db2.gz IMTNVIIXIVKFOW-FXELSEDVSA-N 2 2 386.584 3.927 20 0 GHADLP Cc1cn2cc(NC(=O)NCC3([N@H+](C)Cc4ccccc4)CCC3)ccc2[nH+]1 ZINC001465531801 1065693424 /nfs/dbraw/zinc/69/34/24/1065693424.db2.gz HDTGTGWLQCDXFM-UHFFFAOYSA-N 2 2 377.492 3.819 20 0 GHADLP Cc1cn2cc(NC(=O)NCC3([N@@H+](C)Cc4ccccc4)CCC3)ccc2[nH+]1 ZINC001465531801 1065693435 /nfs/dbraw/zinc/69/34/35/1065693435.db2.gz HDTGTGWLQCDXFM-UHFFFAOYSA-N 2 2 377.492 3.819 20 0 GHADLP C[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001353156194 1065716616 /nfs/dbraw/zinc/71/66/16/1065716616.db2.gz QKYBIBLGZPVXGB-HXUWFJFHSA-N 2 2 397.567 3.789 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001353560362 1066041079 /nfs/dbraw/zinc/04/10/79/1066041079.db2.gz RDLKBWIQKIHACJ-NRFANRHFSA-N 2 2 398.595 3.707 20 0 GHADLP Cc1ccc([C@H](CNC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)[NH+](C)C)cc1 ZINC001467374051 1067259896 /nfs/dbraw/zinc/25/98/96/1067259896.db2.gz XVSCSVZETJEAAZ-FQEVSTJZSA-N 2 2 381.524 3.805 20 0 GHADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@H]2CC[C@@H](C3CC3)O2)o1 ZINC001460086951 1068772640 /nfs/dbraw/zinc/77/26/40/1068772640.db2.gz VDFSNWVBYOSLMG-WBVHZDCISA-N 2 2 394.313 3.698 20 0 GHADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@H]2CC[C@@H](C3CC3)O2)o1 ZINC001460086951 1068772646 /nfs/dbraw/zinc/77/26/46/1068772646.db2.gz VDFSNWVBYOSLMG-WBVHZDCISA-N 2 2 394.313 3.698 20 0 GHADLP Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001460625404 1069040995 /nfs/dbraw/zinc/04/09/95/1069040995.db2.gz GZEQHPZZRFEWCC-GGAORHGYSA-N 2 2 385.596 3.629 20 0 GHADLP Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001460625404 1069041013 /nfs/dbraw/zinc/04/10/13/1069041013.db2.gz GZEQHPZZRFEWCC-GGAORHGYSA-N 2 2 385.596 3.629 20 0 GHADLP c1csc(C[C@@H]2CCC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC001460799215 1069187470 /nfs/dbraw/zinc/18/74/70/1069187470.db2.gz DLZKAJWHZSKXIK-SFTDATJTSA-N 2 2 385.577 3.689 20 0 GHADLP c1csc(C[C@@H]2CCC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC001460799215 1069187482 /nfs/dbraw/zinc/18/74/82/1069187482.db2.gz DLZKAJWHZSKXIK-SFTDATJTSA-N 2 2 385.577 3.689 20 0 GHADLP c1csc(C[C@@H]2CCC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC001460799215 1069187491 /nfs/dbraw/zinc/18/74/91/1069187491.db2.gz DLZKAJWHZSKXIK-SFTDATJTSA-N 2 2 385.577 3.689 20 0 GHADLP c1csc(C[C@@H]2CCC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC001460799215 1069187499 /nfs/dbraw/zinc/18/74/99/1069187499.db2.gz DLZKAJWHZSKXIK-SFTDATJTSA-N 2 2 385.577 3.689 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H](C(C)C)CC3)CC2)CC1 ZINC001478485547 1078887378 /nfs/dbraw/zinc/88/73/78/1078887378.db2.gz BXJHFILACYJDJK-NHCUHLMSSA-N 2 2 392.632 3.793 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H](C(C)C)CC3)CC2)CC1 ZINC001478485547 1078887382 /nfs/dbraw/zinc/88/73/82/1078887382.db2.gz BXJHFILACYJDJK-NHCUHLMSSA-N 2 2 392.632 3.793 20 0 GHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1c2ccccc2C[NH+]1C ZINC001478497171 1078894281 /nfs/dbraw/zinc/89/42/81/1078894281.db2.gz XVDBIEOPZHTVSD-GOTSBHOMSA-N 2 2 394.563 3.629 20 0 GHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1c2ccccc2C[NH+]1C ZINC001478497171 1078894284 /nfs/dbraw/zinc/89/42/84/1078894284.db2.gz XVDBIEOPZHTVSD-GOTSBHOMSA-N 2 2 394.563 3.629 20 0 GHADLP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001478497171 1078894290 /nfs/dbraw/zinc/89/42/90/1078894290.db2.gz XVDBIEOPZHTVSD-GOTSBHOMSA-N 2 2 394.563 3.629 20 0 GHADLP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001478497171 1078894293 /nfs/dbraw/zinc/89/42/93/1078894293.db2.gz XVDBIEOPZHTVSD-GOTSBHOMSA-N 2 2 394.563 3.629 20 0 GHADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1cc(C)c(OCc2ccccc2C)c(C)c1 ZINC001473171006 1073829915 /nfs/dbraw/zinc/82/99/15/1073829915.db2.gz SWPCLGBNHZQTNY-HSZRJFAPSA-N 2 2 384.564 3.935 20 0 GHADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1cc(C)c(OCc2ccccc2C)c(C)c1 ZINC001473171006 1073829924 /nfs/dbraw/zinc/82/99/24/1073829924.db2.gz SWPCLGBNHZQTNY-HSZRJFAPSA-N 2 2 384.564 3.935 20 0 GHADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1cc(C)c(OCc2ccccc2C)c(C)c1 ZINC001473171006 1073829936 /nfs/dbraw/zinc/82/99/36/1073829936.db2.gz SWPCLGBNHZQTNY-HSZRJFAPSA-N 2 2 384.564 3.935 20 0 GHADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1cc(C)c(OCc2ccccc2C)c(C)c1 ZINC001473171006 1073829948 /nfs/dbraw/zinc/82/99/48/1073829948.db2.gz SWPCLGBNHZQTNY-HSZRJFAPSA-N 2 2 384.564 3.935 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@@H+]3CCC[C@H](OCC4CC4)C3)CC2)cc1 ZINC001473408754 1073953399 /nfs/dbraw/zinc/95/33/99/1073953399.db2.gz HSXZDSHNMRUJMN-QFIPXVFZSA-N 2 2 391.987 3.743 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@H+]3CCC[C@H](OCC4CC4)C3)CC2)cc1 ZINC001473408754 1073953401 /nfs/dbraw/zinc/95/34/01/1073953401.db2.gz HSXZDSHNMRUJMN-QFIPXVFZSA-N 2 2 391.987 3.743 20 0 GHADLP O=C(C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC001473747071 1074120330 /nfs/dbraw/zinc/12/03/30/1074120330.db2.gz KIFSXJXIRCVOMJ-SFHVURJKSA-N 2 2 388.393 3.872 20 0 GHADLP CC(=O)c1ccccc1NC(=O)CCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001473748359 1074121263 /nfs/dbraw/zinc/12/12/63/1074121263.db2.gz XOPYCVDWURZAPY-JOCHJYFZSA-N 2 2 390.487 3.836 20 0 GHADLP COc1ccc(Br)c(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC001473759379 1074127670 /nfs/dbraw/zinc/12/76/70/1074127670.db2.gz FFNAAVJGCDNGOK-CQSZACIVSA-N 2 2 376.298 3.563 20 0 GHADLP COc1ccc(Br)c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC001473759379 1074127674 /nfs/dbraw/zinc/12/76/74/1074127674.db2.gz FFNAAVJGCDNGOK-CQSZACIVSA-N 2 2 376.298 3.563 20 0 GHADLP Cc1cc(Cl)ccc1Oc1ccc(F)cc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC001474081707 1074257593 /nfs/dbraw/zinc/25/75/93/1074257593.db2.gz BAJCEXKBJHNCDF-HXUWFJFHSA-N 2 2 380.891 3.982 20 0 GHADLP COc1ccc2c(c1)C[C@@H]([NH2+]CC1([N@H+](C)Cc3ccccc3)CCOCC1)CC2 ZINC001474258427 1074312971 /nfs/dbraw/zinc/31/29/71/1074312971.db2.gz HSQSOMOTGLAONX-QHCPKHFHSA-N 2 2 394.559 3.823 20 0 GHADLP COc1ccc2c(c1)C[C@@H]([NH2+]CC1([N@@H+](C)Cc3ccccc3)CCOCC1)CC2 ZINC001474258427 1074312977 /nfs/dbraw/zinc/31/29/77/1074312977.db2.gz HSQSOMOTGLAONX-QHCPKHFHSA-N 2 2 394.559 3.823 20 0 GHADLP COC(=O)c1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)[nH]c1C(C)C ZINC001474480364 1074425582 /nfs/dbraw/zinc/42/55/82/1074425582.db2.gz XTXVBYZZDBHUTB-UHFFFAOYSA-N 2 2 384.524 3.837 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824546989 609147607 /nfs/dbraw/zinc/14/76/07/609147607.db2.gz MCSFTTVQLODMJD-CKJXQJPGSA-N 2 2 394.498 3.567 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824546989 609147608 /nfs/dbraw/zinc/14/76/08/609147608.db2.gz MCSFTTVQLODMJD-CKJXQJPGSA-N 2 2 394.498 3.567 20 0 GHADLP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4cc[nH+]c(N5CCCCC5)n4)[C@@H]3C2)cc1 ZINC001164623395 719096339 /nfs/dbraw/zinc/09/63/39/719096339.db2.gz CTAAVTHFYKWWKP-NHCUHLMSSA-N 2 2 377.536 3.568 20 0 GHADLP c1ccc(C[N@H+]2C[C@H]3CCCN(c4cc[nH+]c(N5CCCCC5)n4)[C@@H]3C2)cc1 ZINC001164623395 719096345 /nfs/dbraw/zinc/09/63/45/719096345.db2.gz CTAAVTHFYKWWKP-NHCUHLMSSA-N 2 2 377.536 3.568 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3cc(OC)ccc3[nH+]1)C2 ZINC001164807969 720116183 /nfs/dbraw/zinc/11/61/83/720116183.db2.gz DCNAIJQBKALNEU-CYFREDJKSA-N 2 2 395.547 3.737 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3cc(OC)ccc3[nH+]1)C2 ZINC001164807969 720116188 /nfs/dbraw/zinc/11/61/88/720116188.db2.gz DCNAIJQBKALNEU-CYFREDJKSA-N 2 2 395.547 3.737 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C2CCN(Cc3cccnc3)CC2)c(C)c1 ZINC000414364848 837391576 /nfs/dbraw/zinc/39/15/76/837391576.db2.gz ZDMMEVJNINKLBP-XMMPIXPASA-N 2 2 389.547 3.890 20 0 GHADLP COc1cccc(Oc2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cn2)c1 ZINC000655695116 837685882 /nfs/dbraw/zinc/68/58/82/837685882.db2.gz RDOASGZSZGNGCI-JOCHJYFZSA-N 2 2 397.519 3.616 20 0 GHADLP CC(C)C[C@@H](C)Oc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccn1 ZINC000655712872 837707269 /nfs/dbraw/zinc/70/72/69/837707269.db2.gz XNQFYBUAYRCCFN-WIYYLYMNSA-N 2 2 375.557 3.628 20 0 GHADLP Brc1cccc(C2([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCC2)c1 ZINC000655742684 837791470 /nfs/dbraw/zinc/79/14/70/837791470.db2.gz VQYJNGXETZCPEE-SFHVURJKSA-N 2 2 379.342 3.671 20 0 GHADLP [NH3+][C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1c(F)cccc1F ZINC000583562441 834651827 /nfs/dbraw/zinc/65/18/27/834651827.db2.gz UBYLQANALFOIEI-NRFANRHFSA-N 2 2 387.474 3.657 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066078 834664610 /nfs/dbraw/zinc/66/46/10/834664610.db2.gz YZYDBIMUCJZBGZ-ZJSXRUAMSA-N 2 2 378.564 3.997 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066078 834664615 /nfs/dbraw/zinc/66/46/15/834664615.db2.gz YZYDBIMUCJZBGZ-ZJSXRUAMSA-N 2 2 378.564 3.997 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066078 834664622 /nfs/dbraw/zinc/66/46/22/834664622.db2.gz YZYDBIMUCJZBGZ-ZJSXRUAMSA-N 2 2 378.564 3.997 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066078 834664628 /nfs/dbraw/zinc/66/46/28/834664628.db2.gz YZYDBIMUCJZBGZ-ZJSXRUAMSA-N 2 2 378.564 3.997 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OCc1ccncc1 ZINC000092071716 834665515 /nfs/dbraw/zinc/66/55/15/834665515.db2.gz PKVRJINNVWAGAG-IBGZPJMESA-N 2 2 378.476 3.772 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OCc1ccncc1 ZINC000092071716 834665522 /nfs/dbraw/zinc/66/55/22/834665522.db2.gz PKVRJINNVWAGAG-IBGZPJMESA-N 2 2 378.476 3.772 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000655744066 837803042 /nfs/dbraw/zinc/80/30/42/837803042.db2.gz NXBYCANUJOHJBJ-GUYCJALGSA-N 2 2 377.330 3.516 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000655744066 837803053 /nfs/dbraw/zinc/80/30/53/837803053.db2.gz NXBYCANUJOHJBJ-GUYCJALGSA-N 2 2 377.330 3.516 20 0 GHADLP CN(Cc1c(Cl)cccc1N1CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457498 835022557 /nfs/dbraw/zinc/02/25/57/835022557.db2.gz CWDCCKMIDFVQIQ-IBGZPJMESA-N 2 2 391.003 3.541 20 0 GHADLP CN(Cc1c(Cl)cccc1N1CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457498 835022568 /nfs/dbraw/zinc/02/25/68/835022568.db2.gz CWDCCKMIDFVQIQ-IBGZPJMESA-N 2 2 391.003 3.541 20 0 GHADLP Oc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC000685462017 835028978 /nfs/dbraw/zinc/02/89/78/835028978.db2.gz RGCHARQWWJQIQO-UHFFFAOYSA-N 2 2 376.254 3.647 20 0 GHADLP Oc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC000685462017 835028988 /nfs/dbraw/zinc/02/89/88/835028988.db2.gz RGCHARQWWJQIQO-UHFFFAOYSA-N 2 2 376.254 3.647 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635575157 835075741 /nfs/dbraw/zinc/07/57/41/835075741.db2.gz PZCSFWGPFGSTTF-MAUKXSAKSA-N 2 2 394.441 3.718 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000161907077 835129018 /nfs/dbraw/zinc/12/90/18/835129018.db2.gz RYRMNJNZQXYJBT-UHFFFAOYSA-N 2 2 381.520 3.673 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000185187337 835306871 /nfs/dbraw/zinc/30/68/71/835306871.db2.gz ZSIXMVKCZFEJLX-UHFFFAOYSA-N 2 2 386.240 3.801 20 0 GHADLP COc1cc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc(OC)c1OC ZINC000151327602 835378422 /nfs/dbraw/zinc/37/84/22/835378422.db2.gz NSGVGXCCJRDVJK-INIZCTEOSA-N 2 2 381.476 3.808 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000471173472 835413150 /nfs/dbraw/zinc/41/31/50/835413150.db2.gz RQDOVRDOBWRJBS-WIYYLYMNSA-N 2 2 394.544 3.947 20 0 GHADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000471173472 835413154 /nfs/dbraw/zinc/41/31/54/835413154.db2.gz RQDOVRDOBWRJBS-WIYYLYMNSA-N 2 2 394.544 3.947 20 0 GHADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295645 835560937 /nfs/dbraw/zinc/56/09/37/835560937.db2.gz UBBRNZMTHVKHAQ-OXJNMPFZSA-N 2 2 385.577 3.946 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[NH+](C)C)cc1 ZINC000047270864 835681806 /nfs/dbraw/zinc/68/18/06/835681806.db2.gz XLOYALGZZARLEO-JOCHJYFZSA-N 2 2 376.504 3.527 20 0 GHADLP COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001167094555 835903716 /nfs/dbraw/zinc/90/37/16/835903716.db2.gz UKYCLFPDNLQKKJ-QHCPKHFHSA-N 2 2 380.532 3.735 20 0 GHADLP COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001167094555 835903727 /nfs/dbraw/zinc/90/37/27/835903727.db2.gz UKYCLFPDNLQKKJ-QHCPKHFHSA-N 2 2 380.532 3.735 20 0 GHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2nc(C(F)(F)F)cs2)CC1 ZINC000513024225 844110970 /nfs/dbraw/zinc/11/09/70/844110970.db2.gz QKGSZPSROTXHJO-UHFFFAOYSA-N 2 2 375.382 3.711 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC[S@](=O)c2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000471226255 836019483 /nfs/dbraw/zinc/01/94/83/836019483.db2.gz JWKXPGCPTRDSCM-BSGVFPLJSA-N 2 2 377.381 3.763 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC[S@](=O)c2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000471226255 836019493 /nfs/dbraw/zinc/01/94/93/836019493.db2.gz JWKXPGCPTRDSCM-BSGVFPLJSA-N 2 2 377.381 3.763 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC[S@](=O)c2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000471226255 836019506 /nfs/dbraw/zinc/01/95/06/836019506.db2.gz JWKXPGCPTRDSCM-BSGVFPLJSA-N 2 2 377.381 3.763 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC[S@](=O)c2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000471226255 836019517 /nfs/dbraw/zinc/01/95/17/836019517.db2.gz JWKXPGCPTRDSCM-BSGVFPLJSA-N 2 2 377.381 3.763 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000154870109 836095319 /nfs/dbraw/zinc/09/53/19/836095319.db2.gz FHUQQSJBPNASKI-OAHLLOKOSA-N 2 2 389.565 3.889 20 0 GHADLP COc1ccc([C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2Cl)cc1 ZINC000180496861 836177465 /nfs/dbraw/zinc/17/74/65/836177465.db2.gz KVRVYKDUVOSCDY-HTAPYJJXSA-N 2 2 387.955 3.664 20 0 GHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173604878 836221783 /nfs/dbraw/zinc/22/17/83/836221783.db2.gz NCBDQHZIOXIZBX-OFNKIYASSA-N 2 2 399.579 3.557 20 0 GHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173604878 836221790 /nfs/dbraw/zinc/22/17/90/836221790.db2.gz NCBDQHZIOXIZBX-OFNKIYASSA-N 2 2 399.579 3.557 20 0 GHADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000332675896 836454993 /nfs/dbraw/zinc/45/49/93/836454993.db2.gz BZJOFGFGHRKPAX-XUVXKRRUSA-N 2 2 394.563 3.973 20 0 GHADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000332675896 836454998 /nfs/dbraw/zinc/45/49/98/836454998.db2.gz BZJOFGFGHRKPAX-XUVXKRRUSA-N 2 2 394.563 3.973 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=S)Nc1ccc(Cl)cc1Cl ZINC000066007494 836512081 /nfs/dbraw/zinc/51/20/81/836512081.db2.gz VZTXYTKNBOCCCJ-UHFFFAOYSA-N 2 2 389.396 3.648 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=S)Nc1ccc(Cl)cc1Cl ZINC000066007494 836512088 /nfs/dbraw/zinc/51/20/88/836512088.db2.gz VZTXYTKNBOCCCJ-UHFFFAOYSA-N 2 2 389.396 3.648 20 0 GHADLP COc1ccc([C@@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)N2CCCCC2)cc1 ZINC000510177372 836638379 /nfs/dbraw/zinc/63/83/79/836638379.db2.gz TZFXVKFPOQNLLI-HXUWFJFHSA-N 2 2 388.581 3.530 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000513057245 844189542 /nfs/dbraw/zinc/18/95/42/844189542.db2.gz LDMAPGHIGKMMOG-DENIHFKCSA-N 2 2 377.532 3.609 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000513057245 844189545 /nfs/dbraw/zinc/18/95/45/844189545.db2.gz LDMAPGHIGKMMOG-DENIHFKCSA-N 2 2 377.532 3.609 20 0 GHADLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CCO1 ZINC000668786990 836811369 /nfs/dbraw/zinc/81/13/69/836811369.db2.gz LQWFDXNHTGWWOU-OAQYLSRUSA-N 2 2 397.567 3.603 20 0 GHADLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CCO1 ZINC000668786990 836811372 /nfs/dbraw/zinc/81/13/72/836811372.db2.gz LQWFDXNHTGWWOU-OAQYLSRUSA-N 2 2 397.567 3.603 20 0 GHADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)C1 ZINC000067222881 844207212 /nfs/dbraw/zinc/20/72/12/844207212.db2.gz ODPVGNSRWSWCMU-KRWDZBQOSA-N 2 2 378.923 3.854 20 0 GHADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)C1 ZINC000067222881 844207221 /nfs/dbraw/zinc/20/72/21/844207221.db2.gz ODPVGNSRWSWCMU-KRWDZBQOSA-N 2 2 378.923 3.854 20 0 GHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC[NH+]1CCCC1 ZINC000510255537 837066964 /nfs/dbraw/zinc/06/69/64/837066964.db2.gz MEKKQDLDNZZIAO-GFCCVEGCSA-N 2 2 377.838 3.761 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1)C1CC1 ZINC000511405852 837073580 /nfs/dbraw/zinc/07/35/80/837073580.db2.gz HRIQNAKJRPIATK-UHFFFAOYSA-N 2 2 388.515 3.846 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1)C1CC1 ZINC000511405852 837073590 /nfs/dbraw/zinc/07/35/90/837073590.db2.gz HRIQNAKJRPIATK-UHFFFAOYSA-N 2 2 388.515 3.846 20 0 GHADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000584511186 837187763 /nfs/dbraw/zinc/18/77/63/837187763.db2.gz DJNQDDZXWNZMLH-INIZCTEOSA-N 2 2 386.927 3.797 20 0 GHADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000584511186 837187771 /nfs/dbraw/zinc/18/77/71/837187771.db2.gz DJNQDDZXWNZMLH-INIZCTEOSA-N 2 2 386.927 3.797 20 0 GHADLP c1[nH+]c(-c2cccc(NC3CC[NH+](C[C@H]4CCCO4)CC3)c2)n2c1CCCC2 ZINC000655761795 837838420 /nfs/dbraw/zinc/83/84/20/837838420.db2.gz PVCHHAAFLTYYSL-JOCHJYFZSA-N 2 2 380.536 3.942 20 0 GHADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCc3ccccc3NC2=O)CC1 ZINC000655791574 837906942 /nfs/dbraw/zinc/90/69/42/837906942.db2.gz PCWPPACCMHSCHS-MBSDFSHPSA-N 2 2 377.532 3.625 20 0 GHADLP CCc1oc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1C(=O)OC ZINC000549798764 844298942 /nfs/dbraw/zinc/29/89/42/844298942.db2.gz VEQLFHDOMOLQLL-YQQQUEKLSA-N 2 2 382.504 3.914 20 0 GHADLP CCc1oc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1C(=O)OC ZINC000549798764 844298950 /nfs/dbraw/zinc/29/89/50/844298950.db2.gz VEQLFHDOMOLQLL-YQQQUEKLSA-N 2 2 382.504 3.914 20 0 GHADLP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000415911995 838268817 /nfs/dbraw/zinc/26/88/17/838268817.db2.gz FQOIJKLLDABMSC-UXHICEINSA-N 2 2 388.462 3.641 20 0 GHADLP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000415911995 838268824 /nfs/dbraw/zinc/26/88/24/838268824.db2.gz FQOIJKLLDABMSC-UXHICEINSA-N 2 2 388.462 3.641 20 0 GHADLP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000415913266 838269491 /nfs/dbraw/zinc/26/94/91/838269491.db2.gz PFQIBNYAZGRTND-SFTDATJTSA-N 2 2 375.476 3.653 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415947056 838301439 /nfs/dbraw/zinc/30/14/39/838301439.db2.gz VNWZKSLXPWJKEE-UHFFFAOYSA-N 2 2 381.524 3.571 20 0 GHADLP Oc1ccc(C2=CC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000556495553 838888353 /nfs/dbraw/zinc/88/83/53/838888353.db2.gz RDFUVVJYGNPECT-XMMPIXPASA-N 2 2 378.516 3.772 20 0 GHADLP Oc1ccc(C2=CC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000556495553 838888364 /nfs/dbraw/zinc/88/83/64/838888364.db2.gz RDFUVVJYGNPECT-XMMPIXPASA-N 2 2 378.516 3.772 20 0 GHADLP Oc1ccc(C2=CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000556495553 838888374 /nfs/dbraw/zinc/88/83/74/838888374.db2.gz RDFUVVJYGNPECT-XMMPIXPASA-N 2 2 378.516 3.772 20 0 GHADLP Oc1ccc(C2=CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000556495553 838888389 /nfs/dbraw/zinc/88/83/89/838888389.db2.gz RDFUVVJYGNPECT-XMMPIXPASA-N 2 2 378.516 3.772 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)CC1 ZINC000185929268 838952080 /nfs/dbraw/zinc/95/20/80/838952080.db2.gz BNRXPDHCVJVKMB-KKSFZXQISA-N 2 2 385.939 3.552 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCc1ccc(Cl)cc1 ZINC000549166034 839125717 /nfs/dbraw/zinc/12/57/17/839125717.db2.gz NFIBLALFBUZTLX-OAQYLSRUSA-N 2 2 399.966 3.847 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCc1ccc(Cl)cc1 ZINC000549166034 839125721 /nfs/dbraw/zinc/12/57/21/839125721.db2.gz NFIBLALFBUZTLX-OAQYLSRUSA-N 2 2 399.966 3.847 20 0 GHADLP C[C@H](NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000549165843 839126728 /nfs/dbraw/zinc/12/67/28/839126728.db2.gz MHAPXDRKWNFIRW-UGKGYDQZSA-N 2 2 379.548 3.754 20 0 GHADLP C[C@H](NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000549165843 839126738 /nfs/dbraw/zinc/12/67/38/839126738.db2.gz MHAPXDRKWNFIRW-UGKGYDQZSA-N 2 2 379.548 3.754 20 0 GHADLP [NH3+]C[C@H](NC1CC[NH+](Cc2ccccc2Br)CC1)C1CCCC1 ZINC000415065893 839145235 /nfs/dbraw/zinc/14/52/35/839145235.db2.gz NXPCVFUTELVDKQ-IBGZPJMESA-N 2 2 380.374 3.521 20 0 GHADLP C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378491795 839216361 /nfs/dbraw/zinc/21/63/61/839216361.db2.gz GWHNWDLALJIAPJ-CVDCTZTESA-N 2 2 388.515 3.572 20 0 GHADLP C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378491795 839216368 /nfs/dbraw/zinc/21/63/68/839216368.db2.gz GWHNWDLALJIAPJ-CVDCTZTESA-N 2 2 388.515 3.572 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C\c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000255194565 839274715 /nfs/dbraw/zinc/27/47/15/839274715.db2.gz IJWYAGFTDLYICM-YFHOEESVSA-N 2 2 383.580 3.672 20 0 GHADLP C[C@H](c1cccc(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1)[NH+]1CCOCC1 ZINC000415149242 839284049 /nfs/dbraw/zinc/28/40/49/839284049.db2.gz NZJQSIKNJXYVNG-GCJKJVERSA-N 2 2 396.535 3.682 20 0 GHADLP C[C@@H](c1cccc(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1)[NH+]1CCOCC1 ZINC000415149241 839284218 /nfs/dbraw/zinc/28/42/18/839284218.db2.gz NZJQSIKNJXYVNG-AVRDEDQJSA-N 2 2 396.535 3.682 20 0 GHADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000580463157 839602298 /nfs/dbraw/zinc/60/22/98/839602298.db2.gz GFXGALHUJYLPBO-HXUWFJFHSA-N 2 2 390.531 3.749 20 0 GHADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000580463157 839602302 /nfs/dbraw/zinc/60/23/02/839602302.db2.gz GFXGALHUJYLPBO-HXUWFJFHSA-N 2 2 390.531 3.749 20 0 GHADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3cccc4c[nH]nc43)CC2)c1 ZINC000530974834 839631049 /nfs/dbraw/zinc/63/10/49/839631049.db2.gz BVFDAPGBKWUUGM-UHFFFAOYSA-N 2 2 383.927 3.518 20 0 GHADLP O[C@@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1Br ZINC000783030867 839674189 /nfs/dbraw/zinc/67/41/89/839674189.db2.gz MPDLPGDRUQLLOM-IBGZPJMESA-N 2 2 392.341 3.871 20 0 GHADLP CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000580552887 839797237 /nfs/dbraw/zinc/79/72/37/839797237.db2.gz FNZOAMPGMRKEOL-QFIPXVFZSA-N 2 2 393.531 3.758 20 0 GHADLP COc1ccc([C@H](CNCc2[nH+]c(C(C)C)n3ccccc23)[NH+](C)C)cc1OC ZINC000580572937 839822112 /nfs/dbraw/zinc/82/21/12/839822112.db2.gz FXFWTPOCRIFTGJ-FQEVSTJZSA-N 2 2 396.535 3.867 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1oc2ccccc2c1Br ZINC000656254258 839840323 /nfs/dbraw/zinc/84/03/23/839840323.db2.gz DYTYQHFBBWSUAT-UNEWFSDZSA-N 2 2 393.325 3.879 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1oc2ccccc2c1Br ZINC000656254258 839840330 /nfs/dbraw/zinc/84/03/30/839840330.db2.gz DYTYQHFBBWSUAT-UNEWFSDZSA-N 2 2 393.325 3.879 20 0 GHADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000093742346 840488564 /nfs/dbraw/zinc/48/85/64/840488564.db2.gz USHCUGCOJOJBAJ-OAHLLOKOSA-N 2 2 379.342 3.889 20 0 GHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000093742346 840488566 /nfs/dbraw/zinc/48/85/66/840488566.db2.gz USHCUGCOJOJBAJ-OAHLLOKOSA-N 2 2 379.342 3.889 20 0 GHADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000093742346 840488572 /nfs/dbraw/zinc/48/85/72/840488572.db2.gz USHCUGCOJOJBAJ-OAHLLOKOSA-N 2 2 379.342 3.889 20 0 GHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000093742346 840488576 /nfs/dbraw/zinc/48/85/76/840488576.db2.gz USHCUGCOJOJBAJ-OAHLLOKOSA-N 2 2 379.342 3.889 20 0 GHADLP CSc1cc(C)ccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000417229065 840618014 /nfs/dbraw/zinc/61/80/14/840618014.db2.gz SSOJNLOBBSROBB-UHFFFAOYSA-N 2 2 390.597 3.789 20 0 GHADLP [NH3+]CC1(F)CC[NH+](Cc2scc(Br)c2Br)CC1 ZINC001222552260 840625161 /nfs/dbraw/zinc/62/51/61/840625161.db2.gz ACHZVAPVBCBFKP-UHFFFAOYSA-N 2 2 386.128 3.536 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000277006822 844565116 /nfs/dbraw/zinc/56/51/16/844565116.db2.gz KYJXKNUKAKFAIY-UHFFFAOYSA-N 2 2 399.583 3.908 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000277006822 844565123 /nfs/dbraw/zinc/56/51/23/844565123.db2.gz KYJXKNUKAKFAIY-UHFFFAOYSA-N 2 2 399.583 3.908 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000660707108 841122198 /nfs/dbraw/zinc/12/21/98/841122198.db2.gz CCIFXKXJFNTQIC-INIZCTEOSA-N 2 2 377.964 3.625 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000660707108 841122202 /nfs/dbraw/zinc/12/22/02/841122202.db2.gz CCIFXKXJFNTQIC-INIZCTEOSA-N 2 2 377.964 3.625 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)CC1 ZINC000581368700 841173950 /nfs/dbraw/zinc/17/39/50/841173950.db2.gz YCUJWDBKBIVJDG-KRWDZBQOSA-N 2 2 396.560 3.571 20 0 GHADLP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCCNc3cccc[nH+]3)c2)cc1 ZINC000177591097 861198898 /nfs/dbraw/zinc/19/88/98/861198898.db2.gz OZXLRNXJBPAHOT-UHFFFAOYSA-N 2 2 390.487 3.934 20 0 GHADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)Cn1cc(Br)cn1)c1ccccc1 ZINC000468900678 842158357 /nfs/dbraw/zinc/15/83/57/842158357.db2.gz HMAIHPLULUKIHU-YJBOKZPZSA-N 2 2 379.346 3.707 20 0 GHADLP CN(C(=O)C(C1CCC1)C1CCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000581847376 842283740 /nfs/dbraw/zinc/28/37/40/842283740.db2.gz HEHOLGFLIBBCJF-VXKWHMMOSA-N 2 2 389.628 3.998 20 0 GHADLP CN(C(=O)C(C1CCC1)C1CCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000581847376 842283744 /nfs/dbraw/zinc/28/37/44/842283744.db2.gz HEHOLGFLIBBCJF-VXKWHMMOSA-N 2 2 389.628 3.998 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1=O ZINC000559149638 842291504 /nfs/dbraw/zinc/29/15/04/842291504.db2.gz MIVJWRBIANWVAP-PGRDOPGGSA-N 2 2 398.526 3.877 20 0 GHADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Br)cc(F)c2F)C1 ZINC000652363317 842371491 /nfs/dbraw/zinc/37/14/91/842371491.db2.gz AWBIYMSYDZQERY-VNQPRFMTSA-N 2 2 389.284 3.588 20 0 GHADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)cc(F)c2F)C1 ZINC000652363317 842371503 /nfs/dbraw/zinc/37/15/03/842371503.db2.gz AWBIYMSYDZQERY-VNQPRFMTSA-N 2 2 389.284 3.588 20 0 GHADLP CC(=O)Nc1cc(Br)ccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000891611022 842421356 /nfs/dbraw/zinc/42/13/56/842421356.db2.gz FDBRWOCIXDUOFJ-UHFFFAOYSA-N 2 2 394.357 3.715 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1)C1CC1 ZINC000512137858 842617044 /nfs/dbraw/zinc/61/70/44/842617044.db2.gz JHIWIZIFNTZJCR-UHFFFAOYSA-N 2 2 392.478 3.926 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1)C1CC1 ZINC000512137858 842617049 /nfs/dbraw/zinc/61/70/49/842617049.db2.gz JHIWIZIFNTZJCR-UHFFFAOYSA-N 2 2 392.478 3.926 20 0 GHADLP Cc1cc(C)c(CNC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000652521748 842645278 /nfs/dbraw/zinc/64/52/78/842645278.db2.gz XZJBYUDYMKMOJV-ACIOBRDBSA-N 2 2 392.547 3.798 20 0 GHADLP Cc1cc(C)c(CNC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000652521748 842645287 /nfs/dbraw/zinc/64/52/87/842645287.db2.gz XZJBYUDYMKMOJV-ACIOBRDBSA-N 2 2 392.547 3.798 20 0 GHADLP C[C@H](CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000430759517 842944258 /nfs/dbraw/zinc/94/42/58/842944258.db2.gz YGCJOSKZAXHMNB-DNVCBOLYSA-N 2 2 395.950 3.758 20 0 GHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[NH+](C)C ZINC000510556342 842957646 /nfs/dbraw/zinc/95/76/46/842957646.db2.gz XPUZDWPXZMDWCM-FVJLSDCUSA-N 2 2 382.552 3.754 20 0 GHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[NH+](C)C ZINC000510556342 842957651 /nfs/dbraw/zinc/95/76/51/842957651.db2.gz XPUZDWPXZMDWCM-FVJLSDCUSA-N 2 2 382.552 3.754 20 0 GHADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000247652033 843032824 /nfs/dbraw/zinc/03/28/24/843032824.db2.gz WNPNITTXYBFEFA-OSZJIOELSA-N 2 2 395.551 3.531 20 0 GHADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000247652033 843032831 /nfs/dbraw/zinc/03/28/31/843032831.db2.gz WNPNITTXYBFEFA-OSZJIOELSA-N 2 2 395.551 3.531 20 0 GHADLP CN(C)C(=O)[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000663305630 843065277 /nfs/dbraw/zinc/06/52/77/843065277.db2.gz AEHJHBOXVMHVPT-DHIUTWEWSA-N 2 2 391.559 3.708 20 0 GHADLP CN(C)C(=O)[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000663305630 843065290 /nfs/dbraw/zinc/06/52/90/843065290.db2.gz AEHJHBOXVMHVPT-DHIUTWEWSA-N 2 2 391.559 3.708 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc(OC)c1OC ZINC000512213839 843108595 /nfs/dbraw/zinc/10/85/95/843108595.db2.gz UHHZLNIFVVZEQT-QZTJIDSGSA-N 2 2 376.541 3.799 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc(OC)c1OC ZINC000512213839 843108600 /nfs/dbraw/zinc/10/86/00/843108600.db2.gz UHHZLNIFVVZEQT-QZTJIDSGSA-N 2 2 376.541 3.799 20 0 GHADLP COc1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc(OC)c1OC ZINC000512213839 843108605 /nfs/dbraw/zinc/10/86/05/843108605.db2.gz UHHZLNIFVVZEQT-QZTJIDSGSA-N 2 2 376.541 3.799 20 0 GHADLP COc1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc(OC)c1OC ZINC000512213839 843108611 /nfs/dbraw/zinc/10/86/11/843108611.db2.gz UHHZLNIFVVZEQT-QZTJIDSGSA-N 2 2 376.541 3.799 20 0 GHADLP CC(C)[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000279554234 843132698 /nfs/dbraw/zinc/13/26/98/843132698.db2.gz MWZKPEMANNMBMD-DHIUTWEWSA-N 2 2 398.595 3.729 20 0 GHADLP COC(=O)C[C@](C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1cccc(OC)c1 ZINC000510768494 843448668 /nfs/dbraw/zinc/44/86/68/843448668.db2.gz YKVLZJKWFABSBU-QHCPKHFHSA-N 2 2 393.487 3.757 20 0 GHADLP C[NH+](C)Cc1cnc(CNc2ccc(C[NH+](C)C)c(Br)c2)s1 ZINC000511977770 843474038 /nfs/dbraw/zinc/47/40/38/843474038.db2.gz JDWMBXQWHYFRFH-UHFFFAOYSA-N 2 2 383.359 3.641 20 0 GHADLP CC1CC[NH+]([C@H](CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)c2cccs2)CC1 ZINC000662664430 843502050 /nfs/dbraw/zinc/50/20/50/843502050.db2.gz XJFRWKDMATWNRK-IEBWSBKVSA-N 2 2 393.503 3.616 20 0 GHADLP O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052003910 843842616 /nfs/dbraw/zinc/84/26/16/843842616.db2.gz SJXROZSMYVEVHF-KRWDZBQOSA-N 2 2 387.351 3.683 20 0 GHADLP CSc1nnc(CCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)n1CC(C)C ZINC000237435476 843941293 /nfs/dbraw/zinc/94/12/93/843941293.db2.gz UYQFIPDYUMTERB-UHFFFAOYSA-N 2 2 384.553 3.564 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CCC2 ZINC000512624208 844817739 /nfs/dbraw/zinc/81/77/39/844817739.db2.gz ICEKSZASGGVYNB-GSPCLOLRSA-N 3 2 378.564 3.959 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CCC2 ZINC000512624208 844817751 /nfs/dbraw/zinc/81/77/51/844817751.db2.gz ICEKSZASGGVYNB-GSPCLOLRSA-N 3 2 378.564 3.959 20 0 GHADLP CN(C(=O)NCCC1=CCCCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535870969 844938447 /nfs/dbraw/zinc/93/84/47/844938447.db2.gz JAUKNIGUCUNWQI-VXKWHMMOSA-N 2 2 390.616 3.856 20 0 GHADLP CN(C(=O)NCCC1=CCCCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535870969 844938460 /nfs/dbraw/zinc/93/84/60/844938460.db2.gz JAUKNIGUCUNWQI-VXKWHMMOSA-N 2 2 390.616 3.856 20 0 GHADLP Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512668831 844979469 /nfs/dbraw/zinc/97/94/69/844979469.db2.gz OFMGGADGCGEHBI-HXUWFJFHSA-N 2 2 382.527 3.563 20 0 GHADLP Cc1cc(F)ccc1C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512668831 844979490 /nfs/dbraw/zinc/97/94/90/844979490.db2.gz OFMGGADGCGEHBI-HXUWFJFHSA-N 2 2 382.527 3.563 20 0 GHADLP CCC(CC)(C[NH3+])C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000236685758 845179319 /nfs/dbraw/zinc/17/93/19/845179319.db2.gz VCFGRPXZJRJXMF-UHFFFAOYSA-N 2 2 390.531 3.980 20 0 GHADLP C[C@H]1C[C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[NH2+]1 ZINC000262399150 845365434 /nfs/dbraw/zinc/36/54/34/845365434.db2.gz NUVVNWCCVIRNQY-RXVVDRJESA-N 2 2 388.515 3.603 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[NH+]3CCC(OCC4CC4)CC3)CC2)cc1 ZINC001167504316 845521297 /nfs/dbraw/zinc/52/12/97/845521297.db2.gz KFQXLWNMVHVSKX-UHFFFAOYSA-N 2 2 391.987 3.743 20 0 GHADLP Cc1ncccc1OC[C@H]1CCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000419395460 845539490 /nfs/dbraw/zinc/53/94/90/845539490.db2.gz UJLBZBWARSJXAE-PKTZIBPZSA-N 2 2 395.547 3.524 20 0 GHADLP Cc1ncccc1OC[C@H]1CCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000419395460 845539493 /nfs/dbraw/zinc/53/94/93/845539493.db2.gz UJLBZBWARSJXAE-PKTZIBPZSA-N 2 2 395.547 3.524 20 0 GHADLP Cc1ncccc1OC[C@H]1CCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419395460 845539500 /nfs/dbraw/zinc/53/95/00/845539500.db2.gz UJLBZBWARSJXAE-PKTZIBPZSA-N 2 2 395.547 3.524 20 0 GHADLP Cc1ncccc1OC[C@H]1CCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419395460 845539505 /nfs/dbraw/zinc/53/95/05/845539505.db2.gz UJLBZBWARSJXAE-PKTZIBPZSA-N 2 2 395.547 3.524 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2NC(C)=O)C[C@@H]1C ZINC000892103641 845804941 /nfs/dbraw/zinc/80/49/41/845804941.db2.gz LJMXZAGKZMSRTQ-SUMWQHHRSA-N 2 2 382.346 3.712 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2NC(C)=O)C[C@@H]1C ZINC000892103641 845804948 /nfs/dbraw/zinc/80/49/48/845804948.db2.gz LJMXZAGKZMSRTQ-SUMWQHHRSA-N 2 2 382.346 3.712 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2NC(C)=O)C[C@@H]1C ZINC000892103641 845804954 /nfs/dbraw/zinc/80/49/54/845804954.db2.gz LJMXZAGKZMSRTQ-SUMWQHHRSA-N 2 2 382.346 3.712 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2NC(C)=O)C[C@@H]1C ZINC000892103641 845804960 /nfs/dbraw/zinc/80/49/60/845804960.db2.gz LJMXZAGKZMSRTQ-SUMWQHHRSA-N 2 2 382.346 3.712 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000731498827 861664867 /nfs/dbraw/zinc/66/48/67/861664867.db2.gz SFXUUAFXWXKHGP-JOCHJYFZSA-N 2 2 395.551 3.716 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000731498827 861664874 /nfs/dbraw/zinc/66/48/74/861664874.db2.gz SFXUUAFXWXKHGP-JOCHJYFZSA-N 2 2 395.551 3.716 20 0 GHADLP Cc1cccn2cc(CCNC(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)[nH+]c12 ZINC000673774883 861668513 /nfs/dbraw/zinc/66/85/13/861668513.db2.gz IPPWRIOGEYXSDZ-GOSISDBHSA-N 2 2 393.535 3.614 20 0 GHADLP Cc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cn2cc[nH+]c12 ZINC000502750766 846432861 /nfs/dbraw/zinc/43/28/61/846432861.db2.gz XXEKGTOXNNCCHC-SFHVURJKSA-N 2 2 384.430 3.739 20 0 GHADLP Cc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cn2cc[nH+]c12 ZINC000502750766 846432868 /nfs/dbraw/zinc/43/28/68/846432868.db2.gz XXEKGTOXNNCCHC-SFHVURJKSA-N 2 2 384.430 3.739 20 0 GHADLP Cc1cccn2cc(CCNC(=O)NCc3ccccc3C[N@@H+](C)C(C)C)[nH+]c12 ZINC000673768480 861680300 /nfs/dbraw/zinc/68/03/00/861680300.db2.gz FDYCURYFHNOOSD-UHFFFAOYSA-N 2 2 393.535 3.525 20 0 GHADLP Cc1cccn2cc(CCNC(=O)NCc3ccccc3C[N@H+](C)C(C)C)[nH+]c12 ZINC000673768480 861680303 /nfs/dbraw/zinc/68/03/03/861680303.db2.gz FDYCURYFHNOOSD-UHFFFAOYSA-N 2 2 393.535 3.525 20 0 GHADLP CC1CC[NH+](C2CCC(NC(=O)NCc3cccc(-n4cc[nH+]c4)c3)CC2)CC1 ZINC000502830421 846524652 /nfs/dbraw/zinc/52/46/52/846524652.db2.gz PBOIKDIOPPVWSN-UHFFFAOYSA-N 2 2 395.551 3.715 20 0 GHADLP CC1CCC(Oc2cc(C[NH2+]Cc3ccnn3-c3cc[nH+]cc3)ccn2)CC1 ZINC000657365776 846611497 /nfs/dbraw/zinc/61/14/97/846611497.db2.gz GOVYEWSKOHGPNL-UHFFFAOYSA-N 2 2 377.492 3.910 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)CC1 ZINC000422026350 846756762 /nfs/dbraw/zinc/75/67/62/846756762.db2.gz UPPWPCPPXHRBKZ-GOSISDBHSA-N 2 2 391.987 3.537 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)CC1 ZINC000422026350 846756765 /nfs/dbraw/zinc/75/67/65/846756765.db2.gz UPPWPCPPXHRBKZ-GOSISDBHSA-N 2 2 391.987 3.537 20 0 GHADLP COC[C@@H](C)Oc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000657381514 846761610 /nfs/dbraw/zinc/76/16/10/846761610.db2.gz QHKVMLOYUHYLFT-XMSQKQJNSA-N 2 2 379.504 3.907 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCc3ccc(CC(C)C)cc3)CC2)CC1 ZINC000422018170 846769626 /nfs/dbraw/zinc/76/96/26/846769626.db2.gz KGQGCNBNSMRTRW-UHFFFAOYSA-N 2 2 399.623 3.836 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCc3ccc(CC(C)C)cc3)CC2)CC1 ZINC000422018170 846769636 /nfs/dbraw/zinc/76/96/36/846769636.db2.gz KGQGCNBNSMRTRW-UHFFFAOYSA-N 2 2 399.623 3.836 20 0 GHADLP CC[C@H](NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccc(C)cc1 ZINC000422130786 846861621 /nfs/dbraw/zinc/86/16/21/846861621.db2.gz BEMLDKQTYQUIBJ-QFIPXVFZSA-N 2 2 386.584 3.648 20 0 GHADLP CC[C@H](NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccc(C)cc1 ZINC000422130786 846861630 /nfs/dbraw/zinc/86/16/30/846861630.db2.gz BEMLDKQTYQUIBJ-QFIPXVFZSA-N 2 2 386.584 3.648 20 0 GHADLP c1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)CC2)cc1 ZINC000501446663 846933882 /nfs/dbraw/zinc/93/38/82/846933882.db2.gz BXZUWSQCSXPRCC-JTHBVZDNSA-N 2 2 378.564 3.910 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(I)cc2Cl)CC[N@@H+]1C ZINC000501470228 846942647 /nfs/dbraw/zinc/94/26/47/846942647.db2.gz XBOOHYJQZIHCIN-ZWNOBZJWSA-N 2 2 378.685 3.517 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(I)cc2Cl)CC[N@H+]1C ZINC000501470228 846942656 /nfs/dbraw/zinc/94/26/56/846942656.db2.gz XBOOHYJQZIHCIN-ZWNOBZJWSA-N 2 2 378.685 3.517 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NC3CCN(c4ccccc4)CC3)[nH+]c2)CC1 ZINC000271912868 846948062 /nfs/dbraw/zinc/94/80/62/846948062.db2.gz FGVINHDCWZMUBT-UHFFFAOYSA-N 2 2 379.552 3.693 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ncc(Br)s1 ZINC000272150903 847003357 /nfs/dbraw/zinc/00/33/57/847003357.db2.gz ALXAMCHMUDCIPO-YPMHNXCESA-N 2 2 396.358 3.614 20 0 GHADLP C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000420351493 847132929 /nfs/dbraw/zinc/13/29/29/847132929.db2.gz KHAIWLQYLLCDDH-GFCCVEGCSA-N 2 2 380.323 3.629 20 0 GHADLP Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@H]3CC[NH2+]CC3(C)C)n2)cc1C ZINC000420355464 847135147 /nfs/dbraw/zinc/13/51/47/847135147.db2.gz FGJVDZNPCGLGAC-SFHVURJKSA-N 2 2 386.565 3.652 20 0 GHADLP Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@@H]3CC[NH2+]CC3(C)C)n2)cc1C ZINC000420355463 847135231 /nfs/dbraw/zinc/13/52/31/847135231.db2.gz FGJVDZNPCGLGAC-GOSISDBHSA-N 2 2 386.565 3.652 20 0 GHADLP COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000481580215 861790307 /nfs/dbraw/zinc/79/03/07/861790307.db2.gz JSQILROHMJAWEU-QHCPKHFHSA-N 2 2 380.532 3.581 20 0 GHADLP Cc1cc(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc(C)[nH+]1 ZINC000420787100 847451237 /nfs/dbraw/zinc/45/12/37/847451237.db2.gz VVLFBJSZXNYFKO-KRWDZBQOSA-N 2 2 380.536 3.930 20 0 GHADLP Cc1cc(CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc(C)[nH+]1 ZINC000420787100 847451244 /nfs/dbraw/zinc/45/12/44/847451244.db2.gz VVLFBJSZXNYFKO-KRWDZBQOSA-N 2 2 380.536 3.930 20 0 GHADLP C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420909026 847528093 /nfs/dbraw/zinc/52/80/93/847528093.db2.gz XOHBELIWVLIIIU-UHFFFAOYSA-N 2 2 376.447 3.752 20 0 GHADLP C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420909026 847528095 /nfs/dbraw/zinc/52/80/95/847528095.db2.gz XOHBELIWVLIIIU-UHFFFAOYSA-N 2 2 376.447 3.752 20 0 GHADLP O=C1[C@H]([N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCN1c1ccccc1 ZINC000503384213 847643681 /nfs/dbraw/zinc/64/36/81/847643681.db2.gz OKPFKGNCTXFNNF-GHTZIAJQSA-N 2 2 378.520 3.594 20 0 GHADLP O=C1[C@H]([N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCN1c1ccccc1 ZINC000503384213 847643686 /nfs/dbraw/zinc/64/36/86/847643686.db2.gz OKPFKGNCTXFNNF-GHTZIAJQSA-N 2 2 378.520 3.594 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccsc1 ZINC000051755891 847650123 /nfs/dbraw/zinc/65/01/23/847650123.db2.gz KTUQFSZLLUVDPD-GOSISDBHSA-N 2 2 390.553 3.651 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407232 847670244 /nfs/dbraw/zinc/67/02/44/847670244.db2.gz OXOXTMOKTUXMJF-NLWGTHIKSA-N 2 2 392.547 3.765 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407232 847670250 /nfs/dbraw/zinc/67/02/50/847670250.db2.gz OXOXTMOKTUXMJF-NLWGTHIKSA-N 2 2 392.547 3.765 20 0 GHADLP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503440153 847697411 /nfs/dbraw/zinc/69/74/11/847697411.db2.gz UFDYUPOFYYGAPX-IBGZPJMESA-N 2 2 398.526 3.587 20 0 GHADLP CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503440153 847697416 /nfs/dbraw/zinc/69/74/16/847697416.db2.gz UFDYUPOFYYGAPX-IBGZPJMESA-N 2 2 398.526 3.587 20 0 GHADLP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1OCC(=O)N1CCCC1 ZINC000422726247 847799479 /nfs/dbraw/zinc/79/94/79/847799479.db2.gz ZKTHYCZGFQIQLF-FDFHNCONSA-N 2 2 393.531 3.873 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@H]2CCN(c3ccccc3OC)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422851888 847854765 /nfs/dbraw/zinc/85/47/65/847854765.db2.gz PRJSWTIPLJFXJY-JLGINSKQSA-N 2 2 395.547 3.613 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423088170 847972865 /nfs/dbraw/zinc/97/28/65/847972865.db2.gz RDMZLYMWUZECMN-FOVJLYNBSA-N 2 2 379.548 3.995 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000192250709 861871508 /nfs/dbraw/zinc/87/15/08/861871508.db2.gz NJBMITJLTALAJC-OAQYLSRUSA-N 2 2 382.552 3.739 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000192250709 861871524 /nfs/dbraw/zinc/87/15/24/861871524.db2.gz NJBMITJLTALAJC-OAQYLSRUSA-N 2 2 382.552 3.739 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]Cc3cccnc3N3CCCC3)CC23CC3)cc1 ZINC000657572072 848231733 /nfs/dbraw/zinc/23/17/33/848231733.db2.gz GUELCWJPAMNPPF-QFIPXVFZSA-N 2 2 376.548 3.969 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3cccnc3N3CCCC3)CC23CC3)cc1 ZINC000657572072 848231739 /nfs/dbraw/zinc/23/17/39/848231739.db2.gz GUELCWJPAMNPPF-QFIPXVFZSA-N 2 2 376.548 3.969 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357706 861928239 /nfs/dbraw/zinc/92/82/39/861928239.db2.gz UCILQYPAHWEKKA-HSZRJFAPSA-N 2 2 390.531 3.766 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357706 861928259 /nfs/dbraw/zinc/92/82/59/861928259.db2.gz UCILQYPAHWEKKA-HSZRJFAPSA-N 2 2 390.531 3.766 20 0 GHADLP COc1ccc([C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C2CC2)cc1 ZINC000180065202 861932188 /nfs/dbraw/zinc/93/21/88/861932188.db2.gz DYIDTTHYNJZSSU-DEOSSOPVSA-N 2 2 396.531 3.647 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000153675581 848898591 /nfs/dbraw/zinc/89/85/91/848898591.db2.gz YNTNCWYVWAPOBE-QGZVFWFLSA-N 2 2 375.944 3.551 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000153675581 848898594 /nfs/dbraw/zinc/89/85/94/848898594.db2.gz YNTNCWYVWAPOBE-QGZVFWFLSA-N 2 2 375.944 3.551 20 0 GHADLP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c2nccc(C)c2c1 ZINC000555855786 862007040 /nfs/dbraw/zinc/00/70/40/862007040.db2.gz FIAUTYZTVUZDLS-UHFFFAOYSA-N 2 2 394.563 3.532 20 0 GHADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425180653 849751708 /nfs/dbraw/zinc/75/17/08/849751708.db2.gz TXUIFUWAXQYFOG-PCCBWWKXSA-N 2 2 382.552 3.949 20 0 GHADLP O=c1ccccn1C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000503909423 849769350 /nfs/dbraw/zinc/76/93/50/849769350.db2.gz JFMBPBOVYRJQDV-DEOSSOPVSA-N 2 2 387.527 3.844 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC[NH2+]Cc3cccnc3)[C@H]3CCC[C@@H]32)cc1 ZINC000423180259 849788515 /nfs/dbraw/zinc/78/85/15/849788515.db2.gz AONXGRGLLQJAOX-SGNDLWITSA-N 3 2 378.564 3.594 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[NH2+]Cc3cccnc3)[C@H]3CCC[C@@H]32)cc1 ZINC000423180259 849788524 /nfs/dbraw/zinc/78/85/24/849788524.db2.gz AONXGRGLLQJAOX-SGNDLWITSA-N 3 2 378.564 3.594 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc2c1OCO2 ZINC000583408208 849817061 /nfs/dbraw/zinc/81/70/61/849817061.db2.gz LVISPLGIQZGFGZ-QHCPKHFHSA-N 2 2 380.488 3.522 20 0 GHADLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc2c1OCO2 ZINC000583408208 849817072 /nfs/dbraw/zinc/81/70/72/849817072.db2.gz LVISPLGIQZGFGZ-QHCPKHFHSA-N 2 2 380.488 3.522 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc2c1OCO2 ZINC000583408208 849817079 /nfs/dbraw/zinc/81/70/79/849817079.db2.gz LVISPLGIQZGFGZ-QHCPKHFHSA-N 2 2 380.488 3.522 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc2c1OCO2 ZINC000583408208 849817089 /nfs/dbraw/zinc/81/70/89/849817089.db2.gz LVISPLGIQZGFGZ-QHCPKHFHSA-N 2 2 380.488 3.522 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000423320614 849856075 /nfs/dbraw/zinc/85/60/75/849856075.db2.gz DOFRRHGWSMEGRG-JJEOQYAHSA-N 2 2 384.520 3.517 20 0 GHADLP COC[C@@]1(C[NH2+][C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)CCC[NH2+]1 ZINC000423445675 849920497 /nfs/dbraw/zinc/92/04/97/849920497.db2.gz YMSARWZBZJOUCY-VLIAUNLRSA-N 2 2 375.538 3.546 20 0 GHADLP NC(=O)c1ccc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000504162942 849940885 /nfs/dbraw/zinc/94/08/85/849940885.db2.gz POZDRMNFQMEUGH-UHFFFAOYSA-N 2 2 396.494 3.987 20 0 GHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434992371 849978741 /nfs/dbraw/zinc/97/87/41/849978741.db2.gz UVISFJCTAKIOPE-UHFFFAOYSA-N 2 2 381.307 3.555 20 0 GHADLP CC(C)(C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)[C@H]([NH3+])c1ccccc1 ZINC000423753802 850044156 /nfs/dbraw/zinc/04/41/56/850044156.db2.gz HJWZUKJSSIZQJU-OAQYLSRUSA-N 2 2 380.536 3.804 20 0 GHADLP CC[NH+](CC)C[C@@H]1CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)C1 ZINC000518832243 850200518 /nfs/dbraw/zinc/20/05/18/850200518.db2.gz AYBAQNFOOKWILK-HNNXBMFYSA-N 2 2 379.346 3.569 20 0 GHADLP C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000514716754 850208842 /nfs/dbraw/zinc/20/88/42/850208842.db2.gz HCWMQPCIZZQRMQ-MOPGFXCFSA-N 2 2 383.511 3.724 20 0 GHADLP C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000514716754 850208855 /nfs/dbraw/zinc/20/88/55/850208855.db2.gz HCWMQPCIZZQRMQ-MOPGFXCFSA-N 2 2 383.511 3.724 20 0 GHADLP COc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000669714474 862103628 /nfs/dbraw/zinc/10/36/28/862103628.db2.gz IXCOFLQHPGPPEE-GOSISDBHSA-N 2 2 391.519 3.998 20 0 GHADLP COc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000669714474 862103634 /nfs/dbraw/zinc/10/36/34/862103634.db2.gz IXCOFLQHPGPPEE-GOSISDBHSA-N 2 2 391.519 3.998 20 0 GHADLP CC(C)C[NH+]1CCC(Nc2cc(NC3CC[NH+](CC(C)C)CC3)[nH+]cn2)CC1 ZINC000439829726 850459379 /nfs/dbraw/zinc/45/93/79/850459379.db2.gz RMCZZLYLEYMAJZ-UHFFFAOYSA-N 3 2 388.604 3.541 20 0 GHADLP C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435624348 850721418 /nfs/dbraw/zinc/72/14/18/850721418.db2.gz JFFUARMHRDSFDV-CRAIPNDOSA-N 2 2 384.351 3.731 20 0 GHADLP C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435624348 850721423 /nfs/dbraw/zinc/72/14/23/850721423.db2.gz JFFUARMHRDSFDV-CRAIPNDOSA-N 2 2 384.351 3.731 20 0 GHADLP CSc1ccc(OCC[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1 ZINC000435736124 850821714 /nfs/dbraw/zinc/82/17/14/850821714.db2.gz UDIDHKHKZKKVOL-INIZCTEOSA-N 2 2 377.579 3.664 20 0 GHADLP CSc1ccc(OCC[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1 ZINC000435736124 850821717 /nfs/dbraw/zinc/82/17/17/850821717.db2.gz UDIDHKHKZKKVOL-INIZCTEOSA-N 2 2 377.579 3.664 20 0 GHADLP C[C@@H](c1cccc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1)[NH+]1CCOCC1 ZINC000522617206 862189883 /nfs/dbraw/zinc/18/98/83/862189883.db2.gz RCAHEEFLVFIUSS-PXNSSMCTSA-N 2 2 390.572 3.568 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(c4ccccc4)CCCCCC3)C2)CC1 ZINC000625520700 862220704 /nfs/dbraw/zinc/22/07/04/862220704.db2.gz WFTQIBFDKWDXFY-OAQYLSRUSA-N 2 2 383.580 3.563 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(c4ccccc4)CCCCCC3)C2)CC1 ZINC000625520700 862220721 /nfs/dbraw/zinc/22/07/21/862220721.db2.gz WFTQIBFDKWDXFY-OAQYLSRUSA-N 2 2 383.580 3.563 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1)C1CC1 ZINC000505468755 851476499 /nfs/dbraw/zinc/47/64/99/851476499.db2.gz LZSSVINAWJJOBW-JOCHJYFZSA-N 2 2 381.495 3.597 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1)C1CC1 ZINC000505468755 851476502 /nfs/dbraw/zinc/47/65/02/851476502.db2.gz LZSSVINAWJJOBW-JOCHJYFZSA-N 2 2 381.495 3.597 20 0 GHADLP CCCn1ncnc1C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838033 851886789 /nfs/dbraw/zinc/88/67/89/851886789.db2.gz QKPVCABJNKIDOI-QFIPXVFZSA-N 2 2 381.568 3.811 20 0 GHADLP CCCn1ncnc1C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838033 851886793 /nfs/dbraw/zinc/88/67/93/851886793.db2.gz QKPVCABJNKIDOI-QFIPXVFZSA-N 2 2 381.568 3.811 20 0 GHADLP COCCCC1(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)CCC1 ZINC000894728261 852048598 /nfs/dbraw/zinc/04/85/98/852048598.db2.gz FIHHXYGTTRIKGV-UHFFFAOYSA-N 2 2 387.568 3.796 20 0 GHADLP CN(C(=O)[C@H]1CC2CCC1CC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489135531 852054712 /nfs/dbraw/zinc/05/47/12/852054712.db2.gz ZVIXUMHOFPHJLT-GBJCSSAMSA-N 2 2 375.601 3.608 20 0 GHADLP CN(C(=O)[C@H]1CC2CCC1CC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489135531 852054718 /nfs/dbraw/zinc/05/47/18/852054718.db2.gz ZVIXUMHOFPHJLT-GBJCSSAMSA-N 2 2 375.601 3.608 20 0 GHADLP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000516070471 852136087 /nfs/dbraw/zinc/13/60/87/852136087.db2.gz FYALDHCSZKVHBT-GWJPWWOOSA-N 2 2 394.563 3.782 20 0 GHADLP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000516070471 852136095 /nfs/dbraw/zinc/13/60/95/852136095.db2.gz FYALDHCSZKVHBT-GWJPWWOOSA-N 2 2 394.563 3.782 20 0 GHADLP CN1c2ccc(C[N@H+](C)C3CC[NH+](Cc4ccccc4)CC3)cc2CCC1=O ZINC000186936859 862344678 /nfs/dbraw/zinc/34/46/78/862344678.db2.gz CVKHJFVOROXVHJ-UHFFFAOYSA-N 2 2 377.532 3.692 20 0 GHADLP CN1c2ccc(C[N@@H+](C)C3CC[NH+](Cc4ccccc4)CC3)cc2CCC1=O ZINC000186936859 862344700 /nfs/dbraw/zinc/34/47/00/862344700.db2.gz CVKHJFVOROXVHJ-UHFFFAOYSA-N 2 2 377.532 3.692 20 0 GHADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)c1 ZINC000414932464 852460408 /nfs/dbraw/zinc/46/04/08/852460408.db2.gz CRVFQINICRJUSD-ZHRRBRCNSA-N 2 2 377.488 3.855 20 0 GHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cccc(F)c3Cl)CC2)C[C@H](C)O1 ZINC000516486975 852633398 /nfs/dbraw/zinc/63/33/98/852633398.db2.gz QLXWSSXDRVHVPR-HOTGVXAUSA-N 2 2 384.923 3.569 20 0 GHADLP C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414941243 852706902 /nfs/dbraw/zinc/70/69/02/852706902.db2.gz LGFHEKFNIHUCRC-JPYJTQIMSA-N 2 2 375.516 3.567 20 0 GHADLP Cc1cc(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc(N2CCCC2)[nH+]1 ZINC000518021421 852742259 /nfs/dbraw/zinc/74/22/59/852742259.db2.gz NTTWQCOJXUOTTJ-HXUWFJFHSA-N 2 2 386.927 3.563 20 0 GHADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)[C@H](C)C2 ZINC000490112041 852759346 /nfs/dbraw/zinc/75/93/46/852759346.db2.gz IGKVBWGADGCNEV-DVECYGJZSA-N 2 2 380.532 3.729 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000490141605 852788546 /nfs/dbraw/zinc/78/85/46/852788546.db2.gz CJZBGXJVOSTBKZ-VXKWHMMOSA-N 2 2 399.966 3.962 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000490141605 852788550 /nfs/dbraw/zinc/78/85/50/852788550.db2.gz CJZBGXJVOSTBKZ-VXKWHMMOSA-N 2 2 399.966 3.962 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCCOC1 ZINC000507507314 852985138 /nfs/dbraw/zinc/98/51/38/852985138.db2.gz ICDCRLQCSJHBSY-QZTJIDSGSA-N 2 2 399.501 3.622 20 0 GHADLP CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000516858537 853086915 /nfs/dbraw/zinc/08/69/15/853086915.db2.gz MJCZZKRVFFJNFC-KFWWJZLASA-N 2 2 398.536 3.600 20 0 GHADLP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000427457161 853131344 /nfs/dbraw/zinc/13/13/44/853131344.db2.gz SJLCCCGPHXIPPU-LJQANCHMSA-N 2 2 396.362 3.701 20 0 GHADLP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000427457161 853131349 /nfs/dbraw/zinc/13/13/49/853131349.db2.gz SJLCCCGPHXIPPU-LJQANCHMSA-N 2 2 396.362 3.701 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000473870807 853253039 /nfs/dbraw/zinc/25/30/39/853253039.db2.gz ZOYMASGJFGKZRH-QAPCUYQASA-N 2 2 396.457 3.737 20 0 GHADLP CC(C)(CO)[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000519675588 853362775 /nfs/dbraw/zinc/36/27/75/853362775.db2.gz YQLLUGXEIBLBSY-QHCPKHFHSA-N 2 2 381.564 3.548 20 0 GHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491063692 853434657 /nfs/dbraw/zinc/43/46/57/853434657.db2.gz VHVUZHGXGHDLOH-UNMCSNQZSA-N 2 2 375.601 3.970 20 0 GHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491063692 853434666 /nfs/dbraw/zinc/43/46/66/853434666.db2.gz VHVUZHGXGHDLOH-UNMCSNQZSA-N 2 2 375.601 3.970 20 0 GHADLP Cc1nc2ccc(C[N@@H+](C)C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)cc2s1 ZINC000426355686 853557721 /nfs/dbraw/zinc/55/77/21/853557721.db2.gz CGYALKTWUYMBCK-QFIPXVFZSA-N 2 2 381.545 3.674 20 0 GHADLP Cc1nc2ccc(C[N@H+](C)C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)cc2s1 ZINC000426355686 853557733 /nfs/dbraw/zinc/55/77/33/853557733.db2.gz CGYALKTWUYMBCK-QFIPXVFZSA-N 2 2 381.545 3.674 20 0 GHADLP Cc1nc2ccc(C[NH+](C)C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2s1 ZINC000426355686 853557738 /nfs/dbraw/zinc/55/77/38/853557738.db2.gz CGYALKTWUYMBCK-QFIPXVFZSA-N 2 2 381.545 3.674 20 0 GHADLP Cc1nc2ccc(C[NH+](C)C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2s1 ZINC000426355686 853557749 /nfs/dbraw/zinc/55/77/49/853557749.db2.gz CGYALKTWUYMBCK-QFIPXVFZSA-N 2 2 381.545 3.674 20 0 GHADLP Cc1ccc2cc([C@H](C)[NH2+]CCC(=O)N3CCN(c4cccc[nH+]4)CC3)oc2c1 ZINC000425930510 853659478 /nfs/dbraw/zinc/65/94/78/853659478.db2.gz IMAUMVWQHIHIHH-SFHVURJKSA-N 2 2 392.503 3.526 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCC[C@H](C(C)(C)C)CC3)CC2)CC1 ZINC000188177083 853819022 /nfs/dbraw/zinc/81/90/22/853819022.db2.gz JVVXELXDTPNDNU-OALUTQOASA-N 2 2 392.632 3.839 20 0 GHADLP C[C@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000164851934 853909127 /nfs/dbraw/zinc/90/91/27/853909127.db2.gz MJOYEPYUKZHPED-PZJWPPBQSA-N 2 2 380.536 3.595 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)c(C)c1 ZINC000441370991 854155139 /nfs/dbraw/zinc/15/51/39/854155139.db2.gz JNUBZUQZLFZTMT-IYERYRBDSA-N 2 2 382.552 3.914 20 0 GHADLP CC[N@@H+](Cc1cc2ccccc2n(C)c1=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000571937347 854234321 /nfs/dbraw/zinc/23/43/21/854234321.db2.gz SRNYMLSSDZHPCO-UHFFFAOYSA-N 2 2 390.531 3.672 20 0 GHADLP CC[N@H+](Cc1cc2ccccc2n(C)c1=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000571937347 854234324 /nfs/dbraw/zinc/23/43/24/854234324.db2.gz SRNYMLSSDZHPCO-UHFFFAOYSA-N 2 2 390.531 3.672 20 0 GHADLP O=C1N(c2ccsc2)CC[C@]12CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167992051 854279432 /nfs/dbraw/zinc/27/94/32/854279432.db2.gz GSLMTBKTIOUPMK-NFHNMYOYSA-N 2 2 399.604 3.972 20 0 GHADLP O=C1N(c2ccsc2)CC[C@]12CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167992051 854279440 /nfs/dbraw/zinc/27/94/40/854279440.db2.gz GSLMTBKTIOUPMK-NFHNMYOYSA-N 2 2 399.604 3.972 20 0 GHADLP O=C1N(c2ccsc2)CC[C@]12CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167992051 854279448 /nfs/dbraw/zinc/27/94/48/854279448.db2.gz GSLMTBKTIOUPMK-NFHNMYOYSA-N 2 2 399.604 3.972 20 0 GHADLP O=C1N(c2ccsc2)CC[C@]12CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167992051 854279456 /nfs/dbraw/zinc/27/94/56/854279456.db2.gz GSLMTBKTIOUPMK-NFHNMYOYSA-N 2 2 399.604 3.972 20 0 GHADLP Cc1ccccc1[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001128010734 854795210 /nfs/dbraw/zinc/79/52/10/854795210.db2.gz JQWMMROENSQTOJ-AJSBUHFISA-N 2 2 385.596 3.894 20 0 GHADLP Cc1ccccc1[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001128010734 854795214 /nfs/dbraw/zinc/79/52/14/854795214.db2.gz JQWMMROENSQTOJ-AJSBUHFISA-N 2 2 385.596 3.894 20 0 GHADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000765791548 854820266 /nfs/dbraw/zinc/82/02/66/854820266.db2.gz MUBWYLBMKBYSKW-MZYLBHOOSA-N 2 2 384.495 3.571 20 0 GHADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000765791548 854820270 /nfs/dbraw/zinc/82/02/70/854820270.db2.gz MUBWYLBMKBYSKW-MZYLBHOOSA-N 2 2 384.495 3.571 20 0 GHADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000572709779 854943675 /nfs/dbraw/zinc/94/36/75/854943675.db2.gz REWOADQUNPTFAR-CMKODMSKSA-N 2 2 390.535 3.736 20 0 GHADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2)c1 ZINC000572709779 854943686 /nfs/dbraw/zinc/94/36/86/854943686.db2.gz REWOADQUNPTFAR-CMKODMSKSA-N 2 2 390.535 3.736 20 0 GHADLP Fc1ccc(Cn2cc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cn2)cc1 ZINC000189038906 855013662 /nfs/dbraw/zinc/01/36/62/855013662.db2.gz KULFGLCARIDKGE-UHFFFAOYSA-N 2 2 392.522 3.867 20 0 GHADLP CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000520471317 855124181 /nfs/dbraw/zinc/12/41/81/855124181.db2.gz OHQXTHAIODWTIL-KRWDZBQOSA-N 2 2 381.524 3.740 20 0 GHADLP CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000520471317 855124185 /nfs/dbraw/zinc/12/41/85/855124185.db2.gz OHQXTHAIODWTIL-KRWDZBQOSA-N 2 2 381.524 3.740 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000590155502 855301340 /nfs/dbraw/zinc/30/13/40/855301340.db2.gz IUJSFMQKZPYHAB-GHTZIAJQSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000590155502 855301349 /nfs/dbraw/zinc/30/13/49/855301349.db2.gz IUJSFMQKZPYHAB-GHTZIAJQSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000590155733 855301491 /nfs/dbraw/zinc/30/14/91/855301491.db2.gz YOIHWOXFMNOYMG-RXVVDRJESA-N 2 2 395.551 3.873 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000590155733 855301499 /nfs/dbraw/zinc/30/14/99/855301499.db2.gz YOIHWOXFMNOYMG-RXVVDRJESA-N 2 2 395.551 3.873 20 0 GHADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000057801098 855713273 /nfs/dbraw/zinc/71/32/73/855713273.db2.gz RSWJQLJUAYHKTE-QFIPXVFZSA-N 2 2 375.520 3.567 20 0 GHADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000057801098 855713281 /nfs/dbraw/zinc/71/32/81/855713281.db2.gz RSWJQLJUAYHKTE-QFIPXVFZSA-N 2 2 375.520 3.567 20 0 GHADLP C[NH+](C)CC1CC[NH+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)CC1 ZINC000591080049 855750357 /nfs/dbraw/zinc/75/03/57/855750357.db2.gz HTJJFHAFPGYZOH-UHFFFAOYSA-N 2 2 382.533 3.838 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)c(C)c1 ZINC000905182097 856188428 /nfs/dbraw/zinc/18/84/28/856188428.db2.gz WMKGOOZJYUQGPN-YFNKSVMNSA-N 2 2 393.531 3.706 20 0 GHADLP C[NH+](C)CCCN(C(=O)CCc1c[nH]c[nH+]1)C(c1ccccc1)c1ccccc1 ZINC000475591950 856344004 /nfs/dbraw/zinc/34/40/04/856344004.db2.gz QZLUFLLSIWJRMZ-UHFFFAOYSA-N 2 2 390.531 3.912 20 0 GHADLP C[NH+](C)CCCN(C(=O)CCc1c[nH+]c[nH]1)C(c1ccccc1)c1ccccc1 ZINC000475591950 856344008 /nfs/dbraw/zinc/34/40/08/856344008.db2.gz QZLUFLLSIWJRMZ-UHFFFAOYSA-N 2 2 390.531 3.912 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168573675 856366141 /nfs/dbraw/zinc/36/61/41/856366141.db2.gz SASINQWOOGFHFS-CABCVRRESA-N 2 2 390.450 3.535 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168573675 856366147 /nfs/dbraw/zinc/36/61/47/856366147.db2.gz SASINQWOOGFHFS-CABCVRRESA-N 2 2 390.450 3.535 20 0 GHADLP C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485414037 856460292 /nfs/dbraw/zinc/46/02/92/856460292.db2.gz NUEMEPOEAGEWQF-QTGUNEKASA-N 2 2 377.532 3.507 20 0 GHADLP C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485414037 856460299 /nfs/dbraw/zinc/46/02/99/856460299.db2.gz NUEMEPOEAGEWQF-QTGUNEKASA-N 2 2 377.532 3.507 20 0 GHADLP CC(C)(CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[NH+]1CCCCC1 ZINC000043517625 856538332 /nfs/dbraw/zinc/53/83/32/856538332.db2.gz DLWGBTGVENSNQH-UHFFFAOYSA-N 2 2 379.574 3.515 20 0 GHADLP CC[N@H+](C)C1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)CC1 ZINC001168575732 856540367 /nfs/dbraw/zinc/54/03/67/856540367.db2.gz YGVAQEBPIKIRFE-HZPDHXFCSA-N 2 2 393.494 3.733 20 0 GHADLP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)CC1 ZINC001168575732 856540384 /nfs/dbraw/zinc/54/03/84/856540384.db2.gz YGVAQEBPIKIRFE-HZPDHXFCSA-N 2 2 393.494 3.733 20 0 GHADLP Cc1cc(C)c(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c(C)[nH+]1 ZINC000906107689 856834685 /nfs/dbraw/zinc/83/46/85/856834685.db2.gz PSSXWKSYZQKYRT-IBGZPJMESA-N 2 2 379.504 3.725 20 0 GHADLP O=C(Nc1ccccc1)C1([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000427968968 856950915 /nfs/dbraw/zinc/95/09/15/856950915.db2.gz VUPJHPXUGOKPCB-ILWGZMRPSA-N 2 2 375.516 3.658 20 0 GHADLP O=C(Nc1ccccc1)C1([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000427968968 856950919 /nfs/dbraw/zinc/95/09/19/856950919.db2.gz VUPJHPXUGOKPCB-ILWGZMRPSA-N 2 2 375.516 3.658 20 0 GHADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]([NH3+])c3cccc(Cl)c3)c2)C[C@@H](C)O1 ZINC000169200848 857003255 /nfs/dbraw/zinc/00/32/55/857003255.db2.gz RAGYRWFPAWZTAV-STXHMFSFSA-N 2 2 387.911 3.588 20 0 GHADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665252286 857042082 /nfs/dbraw/zinc/04/20/82/857042082.db2.gz LYYCWKPRKLZYAW-LUQKVYGDSA-N 2 2 387.474 3.726 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253407 857050622 /nfs/dbraw/zinc/05/06/22/857050622.db2.gz PQOOQNOINZMWPO-YXKFXFPPSA-N 2 2 391.437 3.556 20 0 GHADLP O=C1Nc2ccccc2C12CCC([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)CC2 ZINC000665257405 857176330 /nfs/dbraw/zinc/17/63/30/857176330.db2.gz IHJHGVMRMZCRPD-FIKJNTHVSA-N 2 2 393.506 3.694 20 0 GHADLP Cc1cc(C)c(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c(C)[nH+]1 ZINC000906691207 857244569 /nfs/dbraw/zinc/24/45/69/857244569.db2.gz KRTKOTZLUDMEDO-GOSISDBHSA-N 2 2 381.520 3.637 20 0 GHADLP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658293703 857255816 /nfs/dbraw/zinc/25/58/16/857255816.db2.gz IXMXORVOVPDZCF-FUHWJXTLSA-N 2 2 395.341 3.506 20 0 GHADLP CC1CCC(N(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C2CC2)CC1 ZINC000486103820 857432219 /nfs/dbraw/zinc/43/22/19/857432219.db2.gz BDPUVHLPKSDPKD-UHFFFAOYSA-N 2 2 390.616 3.689 20 0 GHADLP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cnc21 ZINC000282225214 857459541 /nfs/dbraw/zinc/45/95/41/857459541.db2.gz ZANVPDHETWSZJZ-SFHVURJKSA-N 2 2 378.524 3.925 20 0 GHADLP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cnc21 ZINC000282225214 857459545 /nfs/dbraw/zinc/45/95/45/857459545.db2.gz ZANVPDHETWSZJZ-SFHVURJKSA-N 2 2 378.524 3.925 20 0 GHADLP CC[NH+](CC)CCOc1cccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000907093150 857478187 /nfs/dbraw/zinc/47/81/87/857478187.db2.gz UMNGLWCXPNSMKE-QGZVFWFLSA-N 2 2 398.429 3.736 20 0 GHADLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c(F)c1 ZINC000574283014 857495058 /nfs/dbraw/zinc/49/50/58/857495058.db2.gz DTTKAFMCWKYUBM-UHFFFAOYSA-N 2 2 385.483 3.547 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCC[N@H+]2CCCC[C@H]2C)c(C)c1 ZINC000442231965 857625355 /nfs/dbraw/zinc/62/53/55/857625355.db2.gz BFNKSWHXKLBVRZ-IFMALSPDSA-N 2 2 397.567 3.805 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000442231965 857625359 /nfs/dbraw/zinc/62/53/59/857625359.db2.gz BFNKSWHXKLBVRZ-IFMALSPDSA-N 2 2 397.567 3.805 20 0 GHADLP CCC[NH+]1CCC(N(C)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000442241735 857646103 /nfs/dbraw/zinc/64/61/03/857646103.db2.gz LLNCJJLWZIVNKA-JOCHJYFZSA-N 2 2 397.567 3.757 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccc(F)cc2O1 ZINC000675898000 857654719 /nfs/dbraw/zinc/65/47/19/857654719.db2.gz CEPZJXJZMCBAQI-NZQKXSOJSA-N 2 2 384.495 3.655 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccc(F)cc2O1 ZINC000675898000 857654723 /nfs/dbraw/zinc/65/47/23/857654723.db2.gz CEPZJXJZMCBAQI-NZQKXSOJSA-N 2 2 384.495 3.655 20 0 GHADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000675921659 857666140 /nfs/dbraw/zinc/66/61/40/857666140.db2.gz MQERUKZGCRMRMR-XXBNENTESA-N 3 2 392.547 3.995 20 0 GHADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000486478273 857776378 /nfs/dbraw/zinc/77/63/78/857776378.db2.gz KGVWUZSDYOZXKC-CQSZACIVSA-N 2 2 390.325 3.687 20 0 GHADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000486478273 857776380 /nfs/dbraw/zinc/77/63/80/857776380.db2.gz KGVWUZSDYOZXKC-CQSZACIVSA-N 2 2 390.325 3.687 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccc(C4CCCCC4)cc3)C2)CC1 ZINC000668638894 857875182 /nfs/dbraw/zinc/87/51/82/857875182.db2.gz CGOCGAYNWABBLW-QFIPXVFZSA-N 2 2 383.580 3.562 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc(C4CCCCC4)cc3)C2)CC1 ZINC000668638894 857875198 /nfs/dbraw/zinc/87/51/98/857875198.db2.gz CGOCGAYNWABBLW-QFIPXVFZSA-N 2 2 383.580 3.562 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543025258 857931080 /nfs/dbraw/zinc/93/10/80/857931080.db2.gz SFBOTJOLAWAMRX-HKUYNNGSSA-N 2 2 392.906 3.796 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543025258 857931082 /nfs/dbraw/zinc/93/10/82/857931082.db2.gz SFBOTJOLAWAMRX-HKUYNNGSSA-N 2 2 392.906 3.796 20 0 GHADLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000665290696 858058794 /nfs/dbraw/zinc/05/87/94/858058794.db2.gz HMTCXKMTGXNXBX-MRVPVSSYSA-N 2 2 394.319 3.529 20 0 GHADLP C[C@@H](CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[N@H+](C)Cc1ccccc1 ZINC000499648564 858062161 /nfs/dbraw/zinc/06/21/61/858062161.db2.gz MPNXDVGVVKVOHK-IBGZPJMESA-N 2 2 376.504 3.572 20 0 GHADLP C[C@@H](CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[N@@H+](C)Cc1ccccc1 ZINC000499648564 858062171 /nfs/dbraw/zinc/06/21/71/858062171.db2.gz MPNXDVGVVKVOHK-IBGZPJMESA-N 2 2 376.504 3.572 20 0 GHADLP COc1ccc(Br)cc1-c1nc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cs1 ZINC000442767261 858128283 /nfs/dbraw/zinc/12/82/83/858128283.db2.gz MJUREZQPADQBFJ-RYUDHWBXSA-N 2 2 396.354 3.750 20 0 GHADLP COc1ccc(Br)cc1-c1nc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cs1 ZINC000442767261 858128285 /nfs/dbraw/zinc/12/82/85/858128285.db2.gz MJUREZQPADQBFJ-RYUDHWBXSA-N 2 2 396.354 3.750 20 0 GHADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000543061103 858136736 /nfs/dbraw/zinc/13/67/36/858136736.db2.gz OMFINYZYWMELBM-QZTJIDSGSA-N 2 2 386.515 3.780 20 0 GHADLP CCCc1ccc([C@H](C)[N@H+](CC(N)=O)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544350233 858170229 /nfs/dbraw/zinc/17/02/29/858170229.db2.gz YKFXUFGNTVOGHF-INIZCTEOSA-N 2 2 382.533 3.935 20 0 GHADLP CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544350233 858170235 /nfs/dbraw/zinc/17/02/35/858170235.db2.gz YKFXUFGNTVOGHF-INIZCTEOSA-N 2 2 382.533 3.935 20 0 GHADLP C[C@@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000442889345 858209350 /nfs/dbraw/zinc/20/93/50/858209350.db2.gz KBBNSXQOXRBBJE-GOSISDBHSA-N 2 2 393.597 3.755 20 0 GHADLP O=C(NCCCCNc1cccc[nH+]1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000442969491 858278609 /nfs/dbraw/zinc/27/86/09/858278609.db2.gz SNPDHSQGBFEVKO-ZJSXRUAMSA-N 2 2 392.547 3.692 20 0 GHADLP O=C(NCCCCNc1cccc[nH+]1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000442969491 858278619 /nfs/dbraw/zinc/27/86/19/858278619.db2.gz SNPDHSQGBFEVKO-ZJSXRUAMSA-N 2 2 392.547 3.692 20 0 GHADLP C[NH+](C)C[C@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000522016800 858538734 /nfs/dbraw/zinc/53/87/34/858538734.db2.gz RUHJROHJQUWPSP-FQEVSTJZSA-N 2 2 397.910 3.628 20 0 GHADLP CC(C)(C)OC(=O)[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCC1 ZINC000596063562 858768531 /nfs/dbraw/zinc/76/85/31/858768531.db2.gz NVGGPNKYBDVMSO-INIZCTEOSA-N 2 2 378.479 3.751 20 0 GHADLP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000668140340 858901700 /nfs/dbraw/zinc/90/17/00/858901700.db2.gz YJZUKLBWTGIOAU-UHFFFAOYSA-N 2 2 376.382 3.840 20 0 GHADLP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000668140340 858901709 /nfs/dbraw/zinc/90/17/09/858901709.db2.gz YJZUKLBWTGIOAU-UHFFFAOYSA-N 2 2 376.382 3.840 20 0 GHADLP OCCC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCc2ccccc21 ZINC000429686615 859005687 /nfs/dbraw/zinc/00/56/87/859005687.db2.gz SKNLSSIRDNUNNT-ZCYQVOJMSA-N 2 2 394.559 3.649 20 0 GHADLP OCCC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCc2ccccc21 ZINC000429686615 859005698 /nfs/dbraw/zinc/00/56/98/859005698.db2.gz SKNLSSIRDNUNNT-ZCYQVOJMSA-N 2 2 394.559 3.649 20 0 GHADLP OCCC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCc2ccccc21 ZINC000429686615 859005705 /nfs/dbraw/zinc/00/57/05/859005705.db2.gz SKNLSSIRDNUNNT-ZCYQVOJMSA-N 2 2 394.559 3.649 20 0 GHADLP OCCC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCc2ccccc21 ZINC000429686615 859005714 /nfs/dbraw/zinc/00/57/14/859005714.db2.gz SKNLSSIRDNUNNT-ZCYQVOJMSA-N 2 2 394.559 3.649 20 0 GHADLP Clc1ccc(N2CCOCC2)c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000466361895 859227450 /nfs/dbraw/zinc/22/74/50/859227450.db2.gz ZRESGKZWPBIDGO-UHFFFAOYSA-N 2 2 399.966 3.931 20 0 GHADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(S(C)(=O)=O)c(Cl)c3)CC2)C1 ZINC000429412917 859306716 /nfs/dbraw/zinc/30/67/16/859306716.db2.gz QVHDJPADVOSPQA-YJBOKZPZSA-N 2 2 399.000 3.876 20 0 GHADLP Brc1cnc([C@H]2CCCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000923433811 859310576 /nfs/dbraw/zinc/31/05/76/859310576.db2.gz YLTPLGWIIOXJNV-CVGRLMLNSA-N 2 2 379.346 3.687 20 0 GHADLP Brc1cnc([C@H]2CCCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000923433811 859310582 /nfs/dbraw/zinc/31/05/82/859310582.db2.gz YLTPLGWIIOXJNV-CVGRLMLNSA-N 2 2 379.346 3.687 20 0 GHADLP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000483418313 859351811 /nfs/dbraw/zinc/35/18/11/859351811.db2.gz IUQOINRWQNRUMN-FGZHOGPDSA-N 2 2 378.564 3.985 20 0 GHADLP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000483418313 859351817 /nfs/dbraw/zinc/35/18/17/859351817.db2.gz IUQOINRWQNRUMN-FGZHOGPDSA-N 2 2 378.564 3.985 20 0 GHADLP FC(F)(F)Oc1ccc(OCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000466739466 859419641 /nfs/dbraw/zinc/41/96/41/859419641.db2.gz MAMXZDRYUUYBCF-HNNXBMFYSA-N 2 2 381.398 3.793 20 0 GHADLP FC(F)(F)Oc1ccc(OCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000466739466 859419645 /nfs/dbraw/zinc/41/96/45/859419645.db2.gz MAMXZDRYUUYBCF-HNNXBMFYSA-N 2 2 381.398 3.793 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC000654501649 859419849 /nfs/dbraw/zinc/41/98/49/859419849.db2.gz FGVJFXIGDKEMRT-FDFHNCONSA-N 2 2 395.551 3.557 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c(C)c1 ZINC000654501649 859419855 /nfs/dbraw/zinc/41/98/55/859419855.db2.gz FGVJFXIGDKEMRT-FDFHNCONSA-N 2 2 395.551 3.557 20 0 GHADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000626063683 859437719 /nfs/dbraw/zinc/43/77/19/859437719.db2.gz MLRIENWWGHLYKT-UHFFFAOYSA-N 3 2 381.564 3.603 20 0 GHADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000626063683 859437729 /nfs/dbraw/zinc/43/77/29/859437729.db2.gz MLRIENWWGHLYKT-UHFFFAOYSA-N 3 2 381.564 3.603 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000114200168 859493289 /nfs/dbraw/zinc/49/32/89/859493289.db2.gz JQBBFCLHIBJQAT-UHFFFAOYSA-N 2 2 393.531 3.814 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000114200168 859493293 /nfs/dbraw/zinc/49/32/93/859493293.db2.gz JQBBFCLHIBJQAT-UHFFFAOYSA-N 2 2 393.531 3.814 20 0 GHADLP CN(C)c1ccc(N2CCC([NH2+]Cc3ccccc3Cn3cc[nH+]c3)CC2)cc1 ZINC000764815595 859627868 /nfs/dbraw/zinc/62/78/68/859627868.db2.gz VDADZQVKGNLUNM-UHFFFAOYSA-N 2 2 389.547 3.756 20 0 GHADLP C[N@@H+](Cc1ccnn1-c1ccc(F)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000474279904 859756684 /nfs/dbraw/zinc/75/66/84/859756684.db2.gz YNFQYTKNQSBMAK-HXUWFJFHSA-N 2 2 378.495 3.965 20 0 GHADLP C[N@H+](Cc1ccnn1-c1ccc(F)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000474279904 859756688 /nfs/dbraw/zinc/75/66/88/859756688.db2.gz YNFQYTKNQSBMAK-HXUWFJFHSA-N 2 2 378.495 3.965 20 0 GHADLP C[NH+](Cc1ccnn1-c1ccc(F)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474279904 859756693 /nfs/dbraw/zinc/75/66/93/859756693.db2.gz YNFQYTKNQSBMAK-HXUWFJFHSA-N 2 2 378.495 3.965 20 0 GHADLP C[NH+](Cc1ccnn1-c1ccc(F)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474279904 859756695 /nfs/dbraw/zinc/75/66/95/859756695.db2.gz YNFQYTKNQSBMAK-HXUWFJFHSA-N 2 2 378.495 3.965 20 0 GHADLP COc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1SC ZINC000484126746 859817868 /nfs/dbraw/zinc/81/78/68/859817868.db2.gz JEQAXZWAYRHQIR-VGOFRKELSA-N 2 2 386.561 3.705 20 0 GHADLP COc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1SC ZINC000484126746 859817877 /nfs/dbraw/zinc/81/78/77/859817877.db2.gz JEQAXZWAYRHQIR-VGOFRKELSA-N 2 2 386.561 3.705 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(Oc4ccc(F)cc4)cc3)C2)CC1 ZINC000602202930 859847513 /nfs/dbraw/zinc/84/75/13/859847513.db2.gz AGICSOIIILFXDO-IBGZPJMESA-N 2 2 397.494 3.516 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(Oc4ccc(F)cc4)cc3)C2)CC1 ZINC000602202930 859847518 /nfs/dbraw/zinc/84/75/18/859847518.db2.gz AGICSOIIILFXDO-IBGZPJMESA-N 2 2 397.494 3.516 20 0 GHADLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1OCC(=O)N(C)C ZINC000765250379 859866036 /nfs/dbraw/zinc/86/60/36/859866036.db2.gz LQSYLKIAEZDLNS-UYAOXDASSA-N 2 2 386.540 3.506 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629652755 860029114 /nfs/dbraw/zinc/02/91/14/860029114.db2.gz BRRGSYZUWBFCHU-MJGOQNOKSA-N 2 2 380.458 3.507 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629652755 860029127 /nfs/dbraw/zinc/02/91/27/860029127.db2.gz BRRGSYZUWBFCHU-MJGOQNOKSA-N 2 2 380.458 3.507 20 0 GHADLP C[C@@H]1CC([NH2+]C2CC[NH+](CC3CCOCC3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168034523 860034797 /nfs/dbraw/zinc/03/47/97/860034797.db2.gz QGDWUQWRWNIYKT-NHCUHLMSSA-N 3 2 399.623 3.909 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccccc1 ZINC000474437615 860097678 /nfs/dbraw/zinc/09/76/78/860097678.db2.gz XZEOVTIHTMHSPA-RXVVDRJESA-N 2 2 382.552 3.837 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccccc1 ZINC000474437615 860097685 /nfs/dbraw/zinc/09/76/85/860097685.db2.gz XZEOVTIHTMHSPA-RXVVDRJESA-N 2 2 382.552 3.837 20 0 GHADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cscc1Br ZINC000288443882 860396131 /nfs/dbraw/zinc/39/61/31/860396131.db2.gz CNSPVMRYVWYWEI-UHFFFAOYSA-N 2 2 384.343 3.526 20 0 GHADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000474609380 860491210 /nfs/dbraw/zinc/49/12/10/860491210.db2.gz XPVYGGSMDQHFJT-PMACEKPBSA-N 2 2 398.547 3.688 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1Cl ZINC000428990480 860620700 /nfs/dbraw/zinc/62/07/00/860620700.db2.gz ICHSECWVPBIEEV-CKFHNAJUSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1Cl ZINC000428990480 860620701 /nfs/dbraw/zinc/62/07/01/860620701.db2.gz ICHSECWVPBIEEV-CKFHNAJUSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(Cl)cc1Cl ZINC000428990480 860620703 /nfs/dbraw/zinc/62/07/03/860620703.db2.gz ICHSECWVPBIEEV-CKFHNAJUSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc(Cl)cc1Cl ZINC000428990480 860620705 /nfs/dbraw/zinc/62/07/05/860620705.db2.gz ICHSECWVPBIEEV-CKFHNAJUSA-N 2 2 384.351 3.587 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(-c4cccs4)on3)C2)ccn1 ZINC000856594058 881566410 /nfs/dbraw/zinc/56/64/10/881566410.db2.gz XVQWEUGTVPRTDV-IBGZPJMESA-N 2 2 398.532 3.903 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(-c4cccs4)on3)C2)ccn1 ZINC000856594058 881566421 /nfs/dbraw/zinc/56/64/21/881566421.db2.gz XVQWEUGTVPRTDV-IBGZPJMESA-N 2 2 398.532 3.903 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(-c4cccs4)on3)C2)ccn1 ZINC000856594058 881566427 /nfs/dbraw/zinc/56/64/27/881566427.db2.gz XVQWEUGTVPRTDV-IBGZPJMESA-N 2 2 398.532 3.903 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(-c4cccs4)on3)C2)ccn1 ZINC000856594058 881566435 /nfs/dbraw/zinc/56/64/35/881566435.db2.gz XVQWEUGTVPRTDV-IBGZPJMESA-N 2 2 398.532 3.903 20 0 GHADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429045422 860801821 /nfs/dbraw/zinc/80/18/21/860801821.db2.gz VWPVZYBQQAIOLN-URXFXBBRSA-N 2 2 383.580 3.675 20 0 GHADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429045422 860801822 /nfs/dbraw/zinc/80/18/22/860801822.db2.gz VWPVZYBQQAIOLN-URXFXBBRSA-N 2 2 383.580 3.675 20 0 GHADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429045422 860801830 /nfs/dbraw/zinc/80/18/30/860801830.db2.gz VWPVZYBQQAIOLN-URXFXBBRSA-N 2 2 383.580 3.675 20 0 GHADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429045422 860801835 /nfs/dbraw/zinc/80/18/35/860801835.db2.gz VWPVZYBQQAIOLN-URXFXBBRSA-N 2 2 383.580 3.675 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000532235133 881587837 /nfs/dbraw/zinc/58/78/37/881587837.db2.gz YYQWHIZMFRUQNQ-UZLBHIALSA-N 2 2 378.438 3.993 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000532235133 881587845 /nfs/dbraw/zinc/58/78/45/881587845.db2.gz YYQWHIZMFRUQNQ-UZLBHIALSA-N 2 2 378.438 3.993 20 0 GHADLP COc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c(OCc2cccnc2)c1 ZINC000443977671 863076878 /nfs/dbraw/zinc/07/68/78/863076878.db2.gz JHEXBNCYWPJZLN-UHFFFAOYSA-N 2 2 383.536 3.879 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCCCNc1cccc[nH+]1 ZINC000605543193 863120184 /nfs/dbraw/zinc/12/01/84/863120184.db2.gz PYUSUDSKSJCXAW-IBGZPJMESA-N 2 2 396.535 3.567 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCCCNc1cccc[nH+]1 ZINC000605543193 863120194 /nfs/dbraw/zinc/12/01/94/863120194.db2.gz PYUSUDSKSJCXAW-IBGZPJMESA-N 2 2 396.535 3.567 20 0 GHADLP CC[C@@H]([NH2+]CC1(C[NH2+][C@H](CC)c2c(C)noc2C)COC1)c1c(C)noc1C ZINC000182469112 863239100 /nfs/dbraw/zinc/23/91/00/863239100.db2.gz QEQILDPXRLSVIV-QZTJIDSGSA-N 2 2 390.528 3.694 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(NC(N)=O)cc1 ZINC000766191157 863305580 /nfs/dbraw/zinc/30/55/80/863305580.db2.gz KSDJTSRJFFBMRI-INIZCTEOSA-N 2 2 381.524 3.563 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000606947948 863983621 /nfs/dbraw/zinc/98/36/21/863983621.db2.gz WLIJUBSNILRIOE-IBGZPJMESA-N 2 2 399.539 3.738 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000606947948 863983643 /nfs/dbraw/zinc/98/36/43/863983643.db2.gz WLIJUBSNILRIOE-IBGZPJMESA-N 2 2 399.539 3.738 20 0 GHADLP CC[NH+](CC)CC1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000606947331 863983744 /nfs/dbraw/zinc/98/37/44/863983744.db2.gz PDVSBQCMRQSKOI-UHFFFAOYSA-N 2 2 399.539 3.548 20 0 GHADLP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(Br)cn1 ZINC000621277504 864015224 /nfs/dbraw/zinc/01/52/24/864015224.db2.gz LZCFRKDSJHHYTN-UONOGXRCSA-N 2 2 382.346 3.595 20 0 GHADLP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(Br)cn1 ZINC000621277504 864015237 /nfs/dbraw/zinc/01/52/37/864015237.db2.gz LZCFRKDSJHHYTN-UONOGXRCSA-N 2 2 382.346 3.595 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000554374504 864234141 /nfs/dbraw/zinc/23/41/41/864234141.db2.gz UEMCPQSIVWHSAM-NVXWUHKLSA-N 2 2 394.441 3.856 20 0 GHADLP Cc1cc(N2CC[NH+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)CC2)cc[nH+]1 ZINC001168057018 864364797 /nfs/dbraw/zinc/36/47/97/864364797.db2.gz LMRVXFOPAHKFFF-NHCUHLMSSA-N 3 2 378.564 3.954 20 0 GHADLP CC(=O)N1CC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c2ccccc21 ZINC000621761363 864409518 /nfs/dbraw/zinc/40/95/18/864409518.db2.gz CQYNSZCMCOEIIF-FAFZWHIHSA-N 2 2 395.469 3.879 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000429537316 881773242 /nfs/dbraw/zinc/77/32/42/881773242.db2.gz MASYOQBYQQLYNO-OALUTQOASA-N 2 2 397.485 3.613 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000429537316 881773251 /nfs/dbraw/zinc/77/32/51/881773251.db2.gz MASYOQBYQQLYNO-OALUTQOASA-N 2 2 397.485 3.613 20 0 GHADLP C[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000167860639 864801539 /nfs/dbraw/zinc/80/15/39/864801539.db2.gz QVAQBTUOXDQFNC-IRXDYDNUSA-N 2 2 389.565 3.838 20 0 GHADLP C[C@@H]1CN(c2ccc(N[C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)c[nH+]2)C[C@@H](C)O1 ZINC000550784799 881810110 /nfs/dbraw/zinc/81/01/10/881810110.db2.gz XXSXMZLKVNTSRD-RMEPHLEKSA-N 2 2 380.536 3.943 20 0 GHADLP C[C@@H]1CN(c2ccc(N[C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)c[nH+]2)C[C@@H](C)O1 ZINC000550784799 881810132 /nfs/dbraw/zinc/81/01/32/881810132.db2.gz XXSXMZLKVNTSRD-RMEPHLEKSA-N 2 2 380.536 3.943 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000444343940 864978213 /nfs/dbraw/zinc/97/82/13/864978213.db2.gz NOWIILGEESBFDJ-FOIQADDNSA-N 2 2 397.548 3.905 20 0 GHADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c[nH+]1 ZINC000897256771 864986843 /nfs/dbraw/zinc/98/68/43/864986843.db2.gz KZBDURZPMGDDLO-QAPCUYQASA-N 2 2 392.906 3.528 20 0 GHADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c[nH+]1 ZINC000897256771 864986856 /nfs/dbraw/zinc/98/68/56/864986856.db2.gz KZBDURZPMGDDLO-QAPCUYQASA-N 2 2 392.906 3.528 20 0 GHADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480672988 865068034 /nfs/dbraw/zinc/06/80/34/865068034.db2.gz UFKPYZGNIIZBKO-UHFFFAOYSA-N 2 2 398.457 3.661 20 0 GHADLP Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000608206487 865102227 /nfs/dbraw/zinc/10/22/27/865102227.db2.gz DSKFOIYCVYIEBY-QFIPXVFZSA-N 2 2 388.515 3.730 20 0 GHADLP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000480740230 865207451 /nfs/dbraw/zinc/20/74/51/865207451.db2.gz OSUOECROLDFGDU-HSZRJFAPSA-N 2 2 397.538 3.967 20 0 GHADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2cc(F)ccc2OC(F)F)c2ccccc2)CC1 ZINC000667755989 865360028 /nfs/dbraw/zinc/36/00/28/865360028.db2.gz IXVWACALGMIFOJ-IBGZPJMESA-N 2 2 393.453 3.505 20 0 GHADLP Cc1cc(F)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000622843897 865588262 /nfs/dbraw/zinc/58/82/62/865588262.db2.gz MMTPOHYWKZBXHD-VQTJNVASSA-N 2 2 393.522 3.682 20 0 GHADLP Cc1cc(F)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000622843897 865588273 /nfs/dbraw/zinc/58/82/73/865588273.db2.gz MMTPOHYWKZBXHD-VQTJNVASSA-N 2 2 393.522 3.682 20 0 GHADLP Cc1c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cnn1-c1ccc(Cl)cc1Cl ZINC000481023884 865697190 /nfs/dbraw/zinc/69/71/90/865697190.db2.gz NMVAIROBWXVGKK-XJKSGUPXSA-N 2 2 397.350 3.595 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc(Cl)ccc1O ZINC000185197469 865700627 /nfs/dbraw/zinc/70/06/27/865700627.db2.gz TWDIIHHHEJCFGW-INIZCTEOSA-N 2 2 390.911 3.607 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000481165403 865903336 /nfs/dbraw/zinc/90/33/36/865903336.db2.gz BLWFOQSGHOJVSU-PCSPUAFNSA-N 2 2 385.596 3.816 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000481165403 865903345 /nfs/dbraw/zinc/90/33/45/865903345.db2.gz BLWFOQSGHOJVSU-PCSPUAFNSA-N 2 2 385.596 3.816 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000481167702 865911029 /nfs/dbraw/zinc/91/10/29/865911029.db2.gz LTCHJZTZTVEKLB-QTDGGUCWSA-N 2 2 391.559 3.853 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000481167702 865911036 /nfs/dbraw/zinc/91/10/36/865911036.db2.gz LTCHJZTZTVEKLB-QTDGGUCWSA-N 2 2 391.559 3.853 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000481187417 865953229 /nfs/dbraw/zinc/95/32/29/865953229.db2.gz JIUUBVNPWUFVNB-WZONZLPQSA-N 2 2 377.532 3.614 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000481187417 865953242 /nfs/dbraw/zinc/95/32/42/865953242.db2.gz JIUUBVNPWUFVNB-WZONZLPQSA-N 2 2 377.532 3.614 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000481201551 865993373 /nfs/dbraw/zinc/99/33/73/865993373.db2.gz RMCXNWOLTWCSSN-KXBFYZLASA-N 2 2 389.902 3.918 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000481201551 865993380 /nfs/dbraw/zinc/99/33/80/865993380.db2.gz RMCXNWOLTWCSSN-KXBFYZLASA-N 2 2 389.902 3.918 20 0 GHADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000534111245 866136094 /nfs/dbraw/zinc/13/60/94/866136094.db2.gz WPGPLNDBZYQDGX-GOSISDBHSA-N 2 2 389.503 3.556 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534125431 866158574 /nfs/dbraw/zinc/15/85/74/866158574.db2.gz WIYOKXKQNODGEQ-LJQANCHMSA-N 2 2 392.547 3.785 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000058975706 881970124 /nfs/dbraw/zinc/97/01/24/881970124.db2.gz ORKMSQBHYDPTOX-UHFFFAOYSA-N 2 2 376.504 3.703 20 0 GHADLP Cc1ccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000534361199 866646112 /nfs/dbraw/zinc/64/61/12/866646112.db2.gz VTHWTULNACYXFQ-PKTZIBPZSA-N 2 2 385.596 3.642 20 0 GHADLP Cc1ccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000534361199 866646117 /nfs/dbraw/zinc/64/61/17/866646117.db2.gz VTHWTULNACYXFQ-PKTZIBPZSA-N 2 2 385.596 3.642 20 0 GHADLP C[NH+]1CCC(CNC(=S)Nc2cccc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000741874655 866870076 /nfs/dbraw/zinc/87/00/76/866870076.db2.gz ICVDEPXZIBXFPF-UHFFFAOYSA-N 2 2 380.989 3.577 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+]C3(c4ccccc4)CCC3)n2)CC1 ZINC000428372448 866960780 /nfs/dbraw/zinc/96/07/80/866960780.db2.gz IPKNYOPLBVNLPA-UHFFFAOYSA-N 2 2 398.576 3.983 20 0 GHADLP C/C(=C\C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1Cl ZINC000742011228 866978399 /nfs/dbraw/zinc/97/83/99/866978399.db2.gz MCMZXIZHDDLFMO-FBMGVBCBSA-N 2 2 389.971 3.810 20 0 GHADLP CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000523338082 867104999 /nfs/dbraw/zinc/10/49/99/867104999.db2.gz WJYAVGVCWFZTJT-UHFFFAOYSA-N 2 2 392.503 3.523 20 0 GHADLP C[NH+](C)CC1CCC(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000534600367 867109481 /nfs/dbraw/zinc/10/94/81/867109481.db2.gz SXSFNZIKIGDEQI-UHFFFAOYSA-N 2 2 393.535 3.844 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1)C(C)C ZINC000155201604 868321836 /nfs/dbraw/zinc/32/18/36/868321836.db2.gz QVBXNNZORZGSDU-UHFFFAOYSA-N 2 2 396.535 3.709 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1)C(C)C ZINC000155201604 868321853 /nfs/dbraw/zinc/32/18/53/868321853.db2.gz QVBXNNZORZGSDU-UHFFFAOYSA-N 2 2 396.535 3.709 20 0 GHADLP C[C@H](Cc1ccccc1Cl)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000156561424 868399769 /nfs/dbraw/zinc/39/97/69/868399769.db2.gz VBHPIWKVCTZMLQ-GOSISDBHSA-N 2 2 391.987 3.585 20 0 GHADLP CC(C)CC[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000157365456 868636069 /nfs/dbraw/zinc/63/60/69/868636069.db2.gz CYSTZNRACDHWTH-SESVDKBCSA-N 2 2 380.621 3.790 20 0 GHADLP CC(C)CC[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000157365456 868636082 /nfs/dbraw/zinc/63/60/82/868636082.db2.gz CYSTZNRACDHWTH-SESVDKBCSA-N 2 2 380.621 3.790 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000157676791 868730206 /nfs/dbraw/zinc/73/02/06/868730206.db2.gz APKLXHUQCVEVRW-IBGZPJMESA-N 2 2 380.536 3.989 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000157676791 868730209 /nfs/dbraw/zinc/73/02/09/868730209.db2.gz APKLXHUQCVEVRW-IBGZPJMESA-N 2 2 380.536 3.989 20 0 GHADLP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000158446589 868949494 /nfs/dbraw/zinc/94/94/94/868949494.db2.gz UBEURNFREJBYQX-LJQANCHMSA-N 2 2 388.943 3.736 20 0 GHADLP O=C(Nc1ccccc1)Nc1cccc2c1CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000539453829 869164910 /nfs/dbraw/zinc/16/49/10/869164910.db2.gz VLSDRUSNKGPAMB-UHFFFAOYSA-N 2 2 375.476 3.976 20 0 GHADLP O=C(Nc1ccccc1)Nc1cccc2c1CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000539453829 869164918 /nfs/dbraw/zinc/16/49/18/869164918.db2.gz VLSDRUSNKGPAMB-UHFFFAOYSA-N 2 2 375.476 3.976 20 0 GHADLP CSc1ccc(Cl)c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000172749592 882305520 /nfs/dbraw/zinc/30/55/20/882305520.db2.gz MOBVHBYFGUGRQY-UHFFFAOYSA-N 2 2 396.000 3.742 20 0 GHADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)cs2)cc1 ZINC000524750393 869494795 /nfs/dbraw/zinc/49/47/95/869494795.db2.gz GNYDBQZBJUBMOE-QFIPXVFZSA-N 2 2 398.620 3.973 20 0 GHADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)cs2)cc1 ZINC000524750393 869494799 /nfs/dbraw/zinc/49/47/99/869494799.db2.gz GNYDBQZBJUBMOE-QFIPXVFZSA-N 2 2 398.620 3.973 20 0 GHADLP Cc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000539809358 869822355 /nfs/dbraw/zinc/82/23/55/869822355.db2.gz HUPVSRYAXZDZIN-QFIPXVFZSA-N 2 2 397.544 3.754 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(-c3cccnc3)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000539831418 869867995 /nfs/dbraw/zinc/86/79/95/869867995.db2.gz NFAIHEZHFBWTIC-AVRDEDQJSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(-c3cccnc3)n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000539831418 869868010 /nfs/dbraw/zinc/86/80/10/869868010.db2.gz NFAIHEZHFBWTIC-AVRDEDQJSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(-c3cccnc3)n[nH]2)CC[NH+]1Cc1ccccc1 ZINC000539831418 869868027 /nfs/dbraw/zinc/86/80/27/869868027.db2.gz NFAIHEZHFBWTIC-AVRDEDQJSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(-c3cccnc3)n[nH]2)CC[NH+]1Cc1ccccc1 ZINC000539831418 869868045 /nfs/dbraw/zinc/86/80/45/869868045.db2.gz NFAIHEZHFBWTIC-AVRDEDQJSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OC(C)(C)C)cc1 ZINC000462809815 870104469 /nfs/dbraw/zinc/10/44/69/870104469.db2.gz SQAIGULJFBDMMD-PGRDOPGGSA-N 2 2 382.548 3.934 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OC(C)(C)C)cc1 ZINC000462809815 870104475 /nfs/dbraw/zinc/10/44/75/870104475.db2.gz SQAIGULJFBDMMD-PGRDOPGGSA-N 2 2 382.548 3.934 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000525177870 870114318 /nfs/dbraw/zinc/11/43/18/870114318.db2.gz RSZIHKTWMAONQS-FCHUYYIVSA-N 2 2 395.547 3.896 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000525177870 870114322 /nfs/dbraw/zinc/11/43/22/870114322.db2.gz RSZIHKTWMAONQS-FCHUYYIVSA-N 2 2 395.547 3.896 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1)C(C)C ZINC000505506661 870159825 /nfs/dbraw/zinc/15/98/25/870159825.db2.gz NMXDCAAFEHOUDB-QFIPXVFZSA-N 2 2 383.511 3.843 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1)C(C)C ZINC000505506661 870159829 /nfs/dbraw/zinc/15/98/29/870159829.db2.gz NMXDCAAFEHOUDB-QFIPXVFZSA-N 2 2 383.511 3.843 20 0 GHADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000525245658 870212783 /nfs/dbraw/zinc/21/27/83/870212783.db2.gz ASDYVUYCWOFJIM-LLVKDONJSA-N 2 2 377.838 3.760 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1csc(Cl)c1 ZINC000191213152 882388180 /nfs/dbraw/zinc/38/81/80/882388180.db2.gz OCCPMWVJQVWTMN-OAHLLOKOSA-N 2 2 380.941 3.963 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](CC(F)(F)F)c2ccccc2C)CC1 ZINC000462914491 870387118 /nfs/dbraw/zinc/38/71/18/870387118.db2.gz QSQHUCYIANBNMP-SFHVURJKSA-N 2 2 386.458 3.996 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(N3CCCC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000538731775 870460936 /nfs/dbraw/zinc/46/09/36/870460936.db2.gz NBFDJRGTCNYLAE-DENIHFKCSA-N 2 2 379.552 3.562 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(N3CCCC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000538731775 870460947 /nfs/dbraw/zinc/46/09/47/870460947.db2.gz NBFDJRGTCNYLAE-DENIHFKCSA-N 2 2 379.552 3.562 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc(N3CCCC3)nc2)CC[NH+]1Cc1ccccc1 ZINC000538731775 870461178 /nfs/dbraw/zinc/46/11/78/870461178.db2.gz NBFDJRGTCNYLAE-DENIHFKCSA-N 2 2 379.552 3.562 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(N3CCCC3)nc2)CC[NH+]1Cc1ccccc1 ZINC000538731775 870461228 /nfs/dbraw/zinc/46/12/28/870461228.db2.gz NBFDJRGTCNYLAE-DENIHFKCSA-N 2 2 379.552 3.562 20 0 GHADLP COC(=O)c1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n(C)c1C ZINC000462942642 870472659 /nfs/dbraw/zinc/47/26/59/870472659.db2.gz GCAHYJONIDHASN-FXAWDEMLSA-N 2 2 383.536 3.605 20 0 GHADLP COC(=O)c1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n(C)c1C ZINC000462942642 870472671 /nfs/dbraw/zinc/47/26/71/870472671.db2.gz GCAHYJONIDHASN-FXAWDEMLSA-N 2 2 383.536 3.605 20 0 GHADLP COC(=O)c1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n(C)c1C ZINC000462942642 870472682 /nfs/dbraw/zinc/47/26/82/870472682.db2.gz GCAHYJONIDHASN-FXAWDEMLSA-N 2 2 383.536 3.605 20 0 GHADLP COC(=O)c1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n(C)c1C ZINC000462942642 870472688 /nfs/dbraw/zinc/47/26/88/870472688.db2.gz GCAHYJONIDHASN-FXAWDEMLSA-N 2 2 383.536 3.605 20 0 GHADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000248552235 870483954 /nfs/dbraw/zinc/48/39/54/870483954.db2.gz JAGAWQFUMKAHMJ-DYXWJJEUSA-N 2 2 392.609 3.790 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)c(C)c1 ZINC000540148401 870602342 /nfs/dbraw/zinc/60/23/42/870602342.db2.gz MSZIRQRBBXEOSH-XMSQKQJNSA-N 2 2 387.491 3.568 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000540150763 870630531 /nfs/dbraw/zinc/63/05/31/870630531.db2.gz IXJZWXGDVQTTSN-DLBZAZTESA-N 2 2 378.520 3.843 20 0 GHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000766407400 870707175 /nfs/dbraw/zinc/70/71/75/870707175.db2.gz LJYYPIFFTLPOMQ-UHFFFAOYSA-N 2 2 394.523 3.668 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1C ZINC000508867591 870769131 /nfs/dbraw/zinc/76/91/31/870769131.db2.gz UENBOBNUBRPAAZ-YLJYHZDGSA-N 2 2 384.524 3.540 20 0 GHADLP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000540248402 870808639 /nfs/dbraw/zinc/80/86/39/870808639.db2.gz RUVDDEDUWPFRFI-KURKYZTESA-N 2 2 393.572 3.623 20 0 GHADLP CC(C)[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000540261616 870866970 /nfs/dbraw/zinc/86/69/70/870866970.db2.gz KNNXFGCQDWNTOY-DEOSSOPVSA-N 2 2 380.580 3.966 20 0 GHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2ccccc2Br)CC1 ZINC000463117667 870955341 /nfs/dbraw/zinc/95/53/41/870955341.db2.gz WEMQPJVSRZBJDE-UHFFFAOYSA-N 2 2 379.264 3.998 20 0 GHADLP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000539056157 871190965 /nfs/dbraw/zinc/19/09/65/871190965.db2.gz XMXXFOCJLFBJNY-GMAHTHKFSA-N 2 2 397.950 3.866 20 0 GHADLP C[C@H]1C[C@@H](CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000539043104 871216913 /nfs/dbraw/zinc/21/69/13/871216913.db2.gz QCYSFKGPHXFXDP-RBBKRZOGSA-N 3 2 378.564 3.941 20 0 GHADLP C[C@H]1C[C@@H](CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000539043104 871216928 /nfs/dbraw/zinc/21/69/28/871216928.db2.gz QCYSFKGPHXFXDP-RBBKRZOGSA-N 3 2 378.564 3.941 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)N1Cc2ccccc2C1 ZINC000463242742 871251138 /nfs/dbraw/zinc/25/11/38/871251138.db2.gz NYPWYDYBLYOYAQ-SFYKDHMMSA-N 2 2 377.532 3.560 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)N1Cc2ccccc2C1 ZINC000463242742 871251154 /nfs/dbraw/zinc/25/11/54/871251154.db2.gz NYPWYDYBLYOYAQ-SFYKDHMMSA-N 2 2 377.532 3.560 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)N1Cc2ccccc2C1 ZINC000463242738 871251511 /nfs/dbraw/zinc/25/15/11/871251511.db2.gz NYPWYDYBLYOYAQ-MSYCTHLASA-N 2 2 377.532 3.560 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)N1Cc2ccccc2C1 ZINC000463242738 871251524 /nfs/dbraw/zinc/25/15/24/871251524.db2.gz NYPWYDYBLYOYAQ-MSYCTHLASA-N 2 2 377.532 3.560 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000463247697 871262557 /nfs/dbraw/zinc/26/25/57/871262557.db2.gz XSECJTWCQNADOF-HNNXBMFYSA-N 2 2 386.458 3.644 20 0 GHADLP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000461979813 871405160 /nfs/dbraw/zinc/40/51/60/871405160.db2.gz GCHGLOQFWUDCSK-DEOSSOPVSA-N 2 2 391.559 3.776 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000539201459 871492283 /nfs/dbraw/zinc/49/22/83/871492283.db2.gz BOOHGDCHEDBUFN-LEWJYISDSA-N 2 2 375.532 3.589 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000539201459 871492293 /nfs/dbraw/zinc/49/22/93/871492293.db2.gz BOOHGDCHEDBUFN-LEWJYISDSA-N 2 2 375.532 3.589 20 0 GHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)C[C@H](C)O1 ZINC000525953877 871757323 /nfs/dbraw/zinc/75/73/23/871757323.db2.gz DBGRTMILFJYJMH-HOTGVXAUSA-N 2 2 384.923 3.569 20 0 GHADLP [NH3+]CC1(CC(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)CCCCC1 ZINC000463485827 871868135 /nfs/dbraw/zinc/86/81/35/871868135.db2.gz VUABHBRIIPVGQL-UHFFFAOYSA-N 2 2 394.523 3.561 20 0 GHADLP Cc1ccccc1[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC001169831329 871900232 /nfs/dbraw/zinc/90/02/32/871900232.db2.gz QDVXLXKQIQAUAV-FGZHOGPDSA-N 2 2 397.950 3.786 20 0 GHADLP Cc1ccccc1[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC001169831329 871900252 /nfs/dbraw/zinc/90/02/52/871900252.db2.gz QDVXLXKQIQAUAV-FGZHOGPDSA-N 2 2 397.950 3.786 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1CC[NH+]([C@H](C)c3ccccc3)CC1)C2 ZINC000526004535 871929737 /nfs/dbraw/zinc/92/97/37/871929737.db2.gz XXDYDSJYGVMHDF-IEBWSBKVSA-N 2 2 394.563 3.980 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1CC[NH+]([C@H](C)c3ccccc3)CC1)CC2 ZINC000526004535 871929760 /nfs/dbraw/zinc/92/97/60/871929760.db2.gz XXDYDSJYGVMHDF-IEBWSBKVSA-N 2 2 394.563 3.980 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C(F)(F)F)ccc3Cl)C2)CC1 ZINC000552092179 871997362 /nfs/dbraw/zinc/99/73/62/871997362.db2.gz NTIXAGFKDXNEOF-QGZVFWFLSA-N 2 2 389.893 3.959 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C(F)(F)F)ccc3Cl)C2)CC1 ZINC000552092179 871997385 /nfs/dbraw/zinc/99/73/85/871997385.db2.gz NTIXAGFKDXNEOF-QGZVFWFLSA-N 2 2 389.893 3.959 20 0 GHADLP COc1ccccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CCCC1 ZINC000552098689 872056070 /nfs/dbraw/zinc/05/60/70/872056070.db2.gz LOXQGTRQNXMOFZ-HDDFQFQDSA-N 2 2 399.579 3.600 20 0 GHADLP COc1ccccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CCCC1 ZINC000552098689 872056082 /nfs/dbraw/zinc/05/60/82/872056082.db2.gz LOXQGTRQNXMOFZ-HDDFQFQDSA-N 2 2 399.579 3.600 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(OCc2cccnc2)c1 ZINC000447732486 872219410 /nfs/dbraw/zinc/21/94/10/872219410.db2.gz PMPJBMBJNSIBJD-DENIHFKCSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(OCc2cccnc2)c1 ZINC000447732486 872219427 /nfs/dbraw/zinc/21/94/27/872219427.db2.gz PMPJBMBJNSIBJD-DENIHFKCSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(OCc2cccnc2)c1 ZINC000447732486 872219444 /nfs/dbraw/zinc/21/94/44/872219444.db2.gz PMPJBMBJNSIBJD-DENIHFKCSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(OCc2cccnc2)c1 ZINC000447732486 872219467 /nfs/dbraw/zinc/21/94/67/872219467.db2.gz PMPJBMBJNSIBJD-DENIHFKCSA-N 2 2 381.520 3.585 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000463704698 872373953 /nfs/dbraw/zinc/37/39/53/872373953.db2.gz NSOULTUHWYQOKP-RTBURBONSA-N 2 2 379.508 3.635 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000463704698 872373972 /nfs/dbraw/zinc/37/39/72/872373972.db2.gz NSOULTUHWYQOKP-RTBURBONSA-N 2 2 379.508 3.635 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[N@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000526998184 872394992 /nfs/dbraw/zinc/39/49/92/872394992.db2.gz OBRZKYVUFPSSTP-ICSRJNTNSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[N@@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000526998184 872395007 /nfs/dbraw/zinc/39/50/07/872395007.db2.gz OBRZKYVUFPSSTP-ICSRJNTNSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[N@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000526998184 872395027 /nfs/dbraw/zinc/39/50/27/872395027.db2.gz OBRZKYVUFPSSTP-ICSRJNTNSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[N@@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000526998184 872395033 /nfs/dbraw/zinc/39/50/33/872395033.db2.gz OBRZKYVUFPSSTP-ICSRJNTNSA-N 2 2 394.563 3.761 20 0 GHADLP O=C(NCCC[NH+]1CCCCC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463723216 872401915 /nfs/dbraw/zinc/40/19/15/872401915.db2.gz SYAMAFKYALEIJP-UHFFFAOYSA-N 2 2 381.524 3.884 20 0 GHADLP C[C@@H](CCc1ccc(I)cc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000526980121 872410395 /nfs/dbraw/zinc/41/03/95/872410395.db2.gz SCXSHGCSPKUPRQ-HNNXBMFYSA-N 2 2 397.304 3.879 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000527012955 872467180 /nfs/dbraw/zinc/46/71/80/872467180.db2.gz GXWVQHTUWONHLM-RLLQIKCJSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000527012955 872467190 /nfs/dbraw/zinc/46/71/90/872467190.db2.gz GXWVQHTUWONHLM-RLLQIKCJSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000527012955 872467204 /nfs/dbraw/zinc/46/72/04/872467204.db2.gz GXWVQHTUWONHLM-RLLQIKCJSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000527012955 872467216 /nfs/dbraw/zinc/46/72/16/872467216.db2.gz GXWVQHTUWONHLM-RLLQIKCJSA-N 2 2 394.563 3.665 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448023012 872679206 /nfs/dbraw/zinc/67/92/06/872679206.db2.gz REBLIZPPKOTPQX-KBXCAEBGSA-N 2 2 381.948 3.776 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448023012 872679213 /nfs/dbraw/zinc/67/92/13/872679213.db2.gz REBLIZPPKOTPQX-KBXCAEBGSA-N 2 2 381.948 3.776 20 0 GHADLP CC[C@@H]1CN(CCC[NH+]2CCCCC2)[C@@H](CC)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161858798 872687892 /nfs/dbraw/zinc/68/78/92/872687892.db2.gz RGEKTNMKEVIEOH-PSWAGMNNSA-N 3 2 392.676 3.913 20 0 GHADLP CC[C@@H]1CN(CCC[NH+]2CCCCC2)[C@@H](CC)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000161858798 872687900 /nfs/dbraw/zinc/68/79/00/872687900.db2.gz RGEKTNMKEVIEOH-PSWAGMNNSA-N 3 2 392.676 3.913 20 0 GHADLP CC[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)[C@@H](CC)CN1CCC[NH+]1CCCCC1 ZINC000161858798 872687908 /nfs/dbraw/zinc/68/79/08/872687908.db2.gz RGEKTNMKEVIEOH-PSWAGMNNSA-N 3 2 392.676 3.913 20 0 GHADLP CC[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)[C@@H](CC)CN1CCC[NH+]1CCCCC1 ZINC000161858798 872687917 /nfs/dbraw/zinc/68/79/17/872687917.db2.gz RGEKTNMKEVIEOH-PSWAGMNNSA-N 3 2 392.676 3.913 20 0 GHADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 ZINC001168351928 882651860 /nfs/dbraw/zinc/65/18/60/882651860.db2.gz ZBGUUSMHPPVLDX-UHFFFAOYSA-N 2 2 398.457 3.600 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000552579919 872847819 /nfs/dbraw/zinc/84/78/19/872847819.db2.gz LQUFOXVOAPCNFA-BVYCBKJFSA-N 2 2 395.522 3.821 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000552579919 872847825 /nfs/dbraw/zinc/84/78/25/872847825.db2.gz LQUFOXVOAPCNFA-BVYCBKJFSA-N 2 2 395.522 3.821 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768201691 873137934 /nfs/dbraw/zinc/13/79/34/873137934.db2.gz UOELBLYNYDYTBJ-QGZVFWFLSA-N 2 2 384.524 3.998 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000191984176 882693196 /nfs/dbraw/zinc/69/31/96/882693196.db2.gz VTLWTLLHMJJVQN-WOJBJXKFSA-N 3 2 382.552 3.502 20 0 GHADLP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541237355 873200060 /nfs/dbraw/zinc/20/00/60/873200060.db2.gz GZLYDBJCVIMEKF-HSZRJFAPSA-N 2 2 394.563 3.814 20 0 GHADLP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541237355 873200069 /nfs/dbraw/zinc/20/00/69/873200069.db2.gz GZLYDBJCVIMEKF-HSZRJFAPSA-N 2 2 394.563 3.814 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3ccsc3C(F)(F)F)[nH+]c2)CC1 ZINC000527678002 873446915 /nfs/dbraw/zinc/44/69/15/873446915.db2.gz VMMZMVXCENDCFD-UHFFFAOYSA-N 2 2 384.471 3.726 20 0 GHADLP CN1C(=O)C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1c1ccc(Cl)cc1 ZINC000541377972 873476939 /nfs/dbraw/zinc/47/69/39/873476939.db2.gz HWVKYOIVBZXCTC-MJGOQNOKSA-N 2 2 386.908 3.649 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527807722 873627298 /nfs/dbraw/zinc/62/72/98/873627298.db2.gz IMTGPPSBXIKIIL-SFHVURJKSA-N 2 2 375.944 3.551 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527807722 873627305 /nfs/dbraw/zinc/62/73/05/873627305.db2.gz IMTGPPSBXIKIIL-SFHVURJKSA-N 2 2 375.944 3.551 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527869388 873697534 /nfs/dbraw/zinc/69/75/34/873697534.db2.gz QPGHAEWKPAVHQB-MTNREXPMSA-N 2 2 388.914 3.939 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527869388 873697540 /nfs/dbraw/zinc/69/75/40/873697540.db2.gz QPGHAEWKPAVHQB-MTNREXPMSA-N 2 2 388.914 3.939 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cc(-c2ccccc2)n(C)n1 ZINC000527851595 873709599 /nfs/dbraw/zinc/70/95/99/873709599.db2.gz AGBRCCICDPKACY-SFHVURJKSA-N 2 2 378.520 3.878 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527946251 873791164 /nfs/dbraw/zinc/79/11/64/873791164.db2.gz HFUPLCJZVSYOHD-OXJNMPFZSA-N 2 2 379.570 3.506 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527946251 873791168 /nfs/dbraw/zinc/79/11/68/873791168.db2.gz HFUPLCJZVSYOHD-OXJNMPFZSA-N 2 2 379.570 3.506 20 0 GHADLP COc1cccc2cc(CNc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)oc21 ZINC000769410079 874028247 /nfs/dbraw/zinc/02/82/47/874028247.db2.gz FNTLCGKIRTZDJH-UHFFFAOYSA-N 2 2 380.492 3.979 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3=C(c4ccccc4)CCCC3)CC2)CC1 ZINC000448831768 874036757 /nfs/dbraw/zinc/03/67/57/874036757.db2.gz AGFPFDGHOAYQME-UHFFFAOYSA-N 2 2 381.564 3.689 20 0 GHADLP COc1ccc([C@H](C)N(C)C(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)cc1 ZINC001198018679 874166032 /nfs/dbraw/zinc/16/60/32/874166032.db2.gz KEZWIGXUUXWSMO-IBGZPJMESA-N 2 2 397.563 3.912 20 0 GHADLP COc1ccc([C@H](C)N(C)C(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)cc1 ZINC001198018679 874166041 /nfs/dbraw/zinc/16/60/41/874166041.db2.gz KEZWIGXUUXWSMO-IBGZPJMESA-N 2 2 397.563 3.912 20 0 GHADLP CCOc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)cc1 ZINC001198041599 874195107 /nfs/dbraw/zinc/19/51/07/874195107.db2.gz JAJFCFKXAYDNDH-LJQANCHMSA-N 2 2 397.563 3.960 20 0 GHADLP CCOc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)cc1 ZINC001198041599 874195111 /nfs/dbraw/zinc/19/51/11/874195111.db2.gz JAJFCFKXAYDNDH-LJQANCHMSA-N 2 2 397.563 3.960 20 0 GHADLP COc1cccc2c(C[N@H+](C)C3CC[NH+](CCn4cccn4)CC3)cccc12 ZINC000449031927 874371790 /nfs/dbraw/zinc/37/17/90/874371790.db2.gz XYWOBVCUORDBEP-UHFFFAOYSA-N 2 2 378.520 3.641 20 0 GHADLP COc1cccc2c(C[N@@H+](C)C3CC[NH+](CCn4cccn4)CC3)cccc12 ZINC000449031927 874371804 /nfs/dbraw/zinc/37/18/04/874371804.db2.gz XYWOBVCUORDBEP-UHFFFAOYSA-N 2 2 378.520 3.641 20 0 GHADLP C[C@@H](C[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449142912 874531515 /nfs/dbraw/zinc/53/15/15/874531515.db2.gz VDJRRQQKIVQHEF-ZWKOTPCHSA-N 2 2 388.577 3.913 20 0 GHADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449299218 874686971 /nfs/dbraw/zinc/68/69/71/874686971.db2.gz MGVDAUCAXKNNJM-UHFFFAOYSA-N 2 2 384.480 3.675 20 0 GHADLP C[C@@H](C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1cc(F)cc(F)c1 ZINC000449318355 874724611 /nfs/dbraw/zinc/72/46/11/874724611.db2.gz CRLVRYQHHDQLTA-YADARESESA-N 2 2 399.529 3.960 20 0 GHADLP C[C@@H](C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1cc(F)cc(F)c1 ZINC000449318355 874724619 /nfs/dbraw/zinc/72/46/19/874724619.db2.gz CRLVRYQHHDQLTA-YADARESESA-N 2 2 399.529 3.960 20 0 GHADLP COCCC[NH+]1CCC([NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134372032 882866158 /nfs/dbraw/zinc/86/61/58/882866158.db2.gz FJQFQMPNXOUYJT-KRWDZBQOSA-N 2 2 385.321 3.666 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3c(C)cc(Cl)cc3C)C2)CC1 ZINC000449507516 874972352 /nfs/dbraw/zinc/97/23/52/874972352.db2.gz TWMSAUQCORTYQT-HXUWFJFHSA-N 2 2 391.987 3.723 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3c(C)cc(Cl)cc3C)C2)CC1 ZINC000449507516 874972361 /nfs/dbraw/zinc/97/23/61/874972361.db2.gz TWMSAUQCORTYQT-HXUWFJFHSA-N 2 2 391.987 3.723 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3c(C)cc(Cl)cc3C)C2)CC1 ZINC000449507516 874972371 /nfs/dbraw/zinc/97/23/71/874972371.db2.gz TWMSAUQCORTYQT-HXUWFJFHSA-N 2 2 391.987 3.723 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3c(C)cc(Cl)cc3C)C2)CC1 ZINC000449507516 874972378 /nfs/dbraw/zinc/97/23/78/874972378.db2.gz TWMSAUQCORTYQT-HXUWFJFHSA-N 2 2 391.987 3.723 20 0 GHADLP Cc1cc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc2cccnc12 ZINC001199793246 875190850 /nfs/dbraw/zinc/19/08/50/875190850.db2.gz YSULYPZYPKEITJ-UHFFFAOYSA-N 2 2 391.515 3.544 20 0 GHADLP OC[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1c(F)cccc1Cl ZINC000542304659 875341398 /nfs/dbraw/zinc/34/13/98/875341398.db2.gz XYJVXFSSVYGSIO-ZDUSSCGKSA-N 2 2 379.888 3.667 20 0 GHADLP CN(C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771769501 875475118 /nfs/dbraw/zinc/47/51/18/875475118.db2.gz SIXCDKKOZLGAQL-HLAWJBBLSA-N 2 2 392.632 3.649 20 0 GHADLP CN(C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771769501 875475123 /nfs/dbraw/zinc/47/51/23/875475123.db2.gz SIXCDKKOZLGAQL-HLAWJBBLSA-N 2 2 392.632 3.649 20 0 GHADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000529033720 875495631 /nfs/dbraw/zinc/49/56/31/875495631.db2.gz BRQDIKHYELCHKF-IBGZPJMESA-N 2 2 391.519 3.740 20 0 GHADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000529033720 875495638 /nfs/dbraw/zinc/49/56/38/875495638.db2.gz BRQDIKHYELCHKF-IBGZPJMESA-N 2 2 391.519 3.740 20 0 GHADLP C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001201593936 875773043 /nfs/dbraw/zinc/77/30/43/875773043.db2.gz BVTBYNVUYAMIJA-MJGOQNOKSA-N 2 2 375.557 3.790 20 0 GHADLP C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001201593936 875773049 /nfs/dbraw/zinc/77/30/49/875773049.db2.gz BVTBYNVUYAMIJA-MJGOQNOKSA-N 2 2 375.557 3.790 20 0 GHADLP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001201593930 875773300 /nfs/dbraw/zinc/77/33/00/875773300.db2.gz BVTBYNVUYAMIJA-HKUYNNGSSA-N 2 2 375.557 3.790 20 0 GHADLP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001201593930 875773304 /nfs/dbraw/zinc/77/33/04/875773304.db2.gz BVTBYNVUYAMIJA-HKUYNNGSSA-N 2 2 375.557 3.790 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000858244722 882970890 /nfs/dbraw/zinc/97/08/90/882970890.db2.gz FRLXGSFNORTOJE-QGZVFWFLSA-N 2 2 378.923 3.854 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000858244722 882970906 /nfs/dbraw/zinc/97/09/06/882970906.db2.gz FRLXGSFNORTOJE-QGZVFWFLSA-N 2 2 378.923 3.854 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000151746276 875873341 /nfs/dbraw/zinc/87/33/41/875873341.db2.gz CUEZCHCGOSAJJO-UHFFFAOYSA-N 3 2 389.547 3.694 20 0 GHADLP CC(C)=CCC[C@H](C)CC[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001201971498 875959961 /nfs/dbraw/zinc/95/99/61/875959961.db2.gz FFEPOTXDUKDRKI-SFTDATJTSA-N 2 2 387.616 3.780 20 0 GHADLP CC(C)=CCC[C@H](C)CC[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001201971498 875959970 /nfs/dbraw/zinc/95/99/70/875959970.db2.gz FFEPOTXDUKDRKI-SFTDATJTSA-N 2 2 387.616 3.780 20 0 GHADLP C[C@H]1C[C@H](CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC(C)(C)C1 ZINC000303973327 876150945 /nfs/dbraw/zinc/15/09/45/876150945.db2.gz UPCPDRZELCGSLW-VQTJNVASSA-N 2 2 377.617 3.905 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC000858286241 883002943 /nfs/dbraw/zinc/00/29/43/883002943.db2.gz VDOHVIMWZJSVLM-HLNWXESRSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC000858286241 883002961 /nfs/dbraw/zinc/00/29/61/883002961.db2.gz VDOHVIMWZJSVLM-HLNWXESRSA-N 2 2 377.573 3.629 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc2c(c1)CCCO2 ZINC000850427960 876911404 /nfs/dbraw/zinc/91/14/04/876911404.db2.gz ILHMGPCHAFDYLR-LJQANCHMSA-N 2 2 396.531 3.573 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc2c(c1)CCCO2 ZINC000850435647 876919288 /nfs/dbraw/zinc/91/92/88/876919288.db2.gz CBTVNOQSAIWZFF-NMNUPHIUSA-N 2 2 380.532 3.545 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc2c(c1)CCCO2 ZINC000850435647 876919305 /nfs/dbraw/zinc/91/93/05/876919305.db2.gz CBTVNOQSAIWZFF-NMNUPHIUSA-N 2 2 380.532 3.545 20 0 GHADLP CCOC(=O)NC1CCC([NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000850447891 876932418 /nfs/dbraw/zinc/93/24/18/876932418.db2.gz ODNFIKMJLYOLEF-GZNCHQMQSA-N 2 2 384.524 3.888 20 0 GHADLP CC[N@@H+](CC(=O)Nc1cccc(SC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394759 877006066 /nfs/dbraw/zinc/00/60/66/877006066.db2.gz NXLJXVAHBFJWAY-UHFFFAOYSA-N 2 2 398.576 3.981 20 0 GHADLP CC[N@H+](CC(=O)Nc1cccc(SC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394759 877006082 /nfs/dbraw/zinc/00/60/82/877006082.db2.gz NXLJXVAHBFJWAY-UHFFFAOYSA-N 2 2 398.576 3.981 20 0 GHADLP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1SC(F)F ZINC000850556678 877022712 /nfs/dbraw/zinc/02/27/12/877022712.db2.gz IQYSKRXSXYFEJM-XJKSGUPXSA-N 2 2 386.508 3.914 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000669955536 877111466 /nfs/dbraw/zinc/11/14/66/877111466.db2.gz RHSTYVQRYGSFBJ-LJQANCHMSA-N 2 2 377.492 3.757 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000669955536 877111474 /nfs/dbraw/zinc/11/14/74/877111474.db2.gz RHSTYVQRYGSFBJ-LJQANCHMSA-N 2 2 377.492 3.757 20 0 GHADLP C[NH+]1CCC(CNC(=O)NCc2ccc3ccccc3c2)([NH+]2CCCCC2)CC1 ZINC000174741175 877214787 /nfs/dbraw/zinc/21/47/87/877214787.db2.gz UZYGYKNPZKYEKX-UHFFFAOYSA-N 2 2 394.563 3.589 20 0 GHADLP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H]4CC[NH2+]C45CCC5)cc3)nc12 ZINC000530244362 877359070 /nfs/dbraw/zinc/35/90/70/877359070.db2.gz KFNRIRFUVICMOZ-OAQYLSRUSA-N 2 2 376.504 3.596 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000914024206 877583748 /nfs/dbraw/zinc/58/37/48/877583748.db2.gz XJAQYAXJMDGUNJ-UHFFFAOYSA-N 2 2 395.551 3.708 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000914024206 877583765 /nfs/dbraw/zinc/58/37/65/877583765.db2.gz XJAQYAXJMDGUNJ-UHFFFAOYSA-N 2 2 395.551 3.708 20 0 GHADLP O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000851400666 877666013 /nfs/dbraw/zinc/66/60/13/877666013.db2.gz LPDNMMSGHFPRPM-UHFFFAOYSA-N 2 2 379.504 3.751 20 0 GHADLP COc1ccccc1C[C@@H](C)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551700079 877667772 /nfs/dbraw/zinc/66/77/72/877667772.db2.gz UVTQEOGIUOJWNE-OFNKIYASSA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccccc1C[C@@H](C)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551700079 877667778 /nfs/dbraw/zinc/66/77/78/877667778.db2.gz UVTQEOGIUOJWNE-OFNKIYASSA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccccc1C[C@@H](C)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551700079 877667789 /nfs/dbraw/zinc/66/77/89/877667789.db2.gz UVTQEOGIUOJWNE-OFNKIYASSA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccccc1C[C@@H](C)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551700079 877667798 /nfs/dbraw/zinc/66/77/98/877667798.db2.gz UVTQEOGIUOJWNE-OFNKIYASSA-N 2 2 382.548 3.849 20 0 GHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000285397733 912275547 /nfs/dbraw/zinc/27/55/47/912275547.db2.gz IBHNMFMYLBRYFA-NWDGAFQWSA-N 2 2 388.821 3.951 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000245419070 877844922 /nfs/dbraw/zinc/84/49/22/877844922.db2.gz GVAPORCHGLTVHM-KSSFIOAISA-N 2 2 386.367 3.614 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000245419070 877844936 /nfs/dbraw/zinc/84/49/36/877844936.db2.gz GVAPORCHGLTVHM-KSSFIOAISA-N 2 2 386.367 3.614 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000245419070 877844946 /nfs/dbraw/zinc/84/49/46/877844946.db2.gz GVAPORCHGLTVHM-KSSFIOAISA-N 2 2 386.367 3.614 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000245419070 877844954 /nfs/dbraw/zinc/84/49/54/877844954.db2.gz GVAPORCHGLTVHM-KSSFIOAISA-N 2 2 386.367 3.614 20 0 GHADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000788260144 877965801 /nfs/dbraw/zinc/96/58/01/877965801.db2.gz UQFNNLULLKTZEZ-PKOBYXMFSA-N 2 2 375.557 3.585 20 0 GHADLP C[N@H+](C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000788493954 878102326 /nfs/dbraw/zinc/10/23/26/878102326.db2.gz KTPCAXDGVXIDML-OAQYLSRUSA-N 2 2 387.568 3.982 20 0 GHADLP C[N@@H+](C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000788493954 878102331 /nfs/dbraw/zinc/10/23/31/878102331.db2.gz KTPCAXDGVXIDML-OAQYLSRUSA-N 2 2 387.568 3.982 20 0 GHADLP Brc1ccccc1[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000852744545 878574439 /nfs/dbraw/zinc/57/44/39/878574439.db2.gz DOSDZVMMKKYFTQ-HXUWFJFHSA-N 2 2 387.321 3.668 20 0 GHADLP Brc1ccccc1[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000852744545 878574454 /nfs/dbraw/zinc/57/44/54/878574454.db2.gz DOSDZVMMKKYFTQ-HXUWFJFHSA-N 2 2 387.321 3.668 20 0 GHADLP CN(c1ccccc1C[N@@H+]1CCO[C@@H](c2ccsc2)C1)C1CC[NH+](C)CC1 ZINC000245797979 878604281 /nfs/dbraw/zinc/60/42/81/878604281.db2.gz XHWVKXLCOZFHOW-JOCHJYFZSA-N 2 2 385.577 3.852 20 0 GHADLP CN(c1ccccc1C[N@H+]1CCO[C@@H](c2ccsc2)C1)C1CC[NH+](C)CC1 ZINC000245797979 878604294 /nfs/dbraw/zinc/60/42/94/878604294.db2.gz XHWVKXLCOZFHOW-JOCHJYFZSA-N 2 2 385.577 3.852 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cs2)cc1OC ZINC000178109078 879005301 /nfs/dbraw/zinc/00/53/01/879005301.db2.gz PVMCOHWSKCOANP-AEFFLSMTSA-N 2 2 387.549 3.743 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cs2)cc1OC ZINC000178109078 879005317 /nfs/dbraw/zinc/00/53/17/879005317.db2.gz PVMCOHWSKCOANP-AEFFLSMTSA-N 2 2 387.549 3.743 20 0 GHADLP COc1ccc(-c2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cs2)cc1OC ZINC000178109078 879005334 /nfs/dbraw/zinc/00/53/34/879005334.db2.gz PVMCOHWSKCOANP-AEFFLSMTSA-N 2 2 387.549 3.743 20 0 GHADLP COc1ccc(-c2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cs2)cc1OC ZINC000178109078 879005343 /nfs/dbraw/zinc/00/53/43/879005343.db2.gz PVMCOHWSKCOANP-AEFFLSMTSA-N 2 2 387.549 3.743 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)NCCCCNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000531079467 879083851 /nfs/dbraw/zinc/08/38/51/879083851.db2.gz LFCWLTQRGGEMCA-GOSISDBHSA-N 2 2 389.931 3.529 20 0 GHADLP Cc1ccc2[nH]c(C[NH2+][C@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)nc2c1 ZINC000538294873 879197175 /nfs/dbraw/zinc/19/71/75/879197175.db2.gz VMYDWZUNKSZHGT-FQEVSTJZSA-N 2 2 376.504 3.949 20 0 GHADLP Cc1ccc2nc(C[NH2+][C@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)[nH]c2c1 ZINC000538294873 879197176 /nfs/dbraw/zinc/19/71/76/879197176.db2.gz VMYDWZUNKSZHGT-FQEVSTJZSA-N 2 2 376.504 3.949 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000246206054 879203285 /nfs/dbraw/zinc/20/32/85/879203285.db2.gz MDODVLLHJJDAGW-XMSQKQJNSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000246206054 879203303 /nfs/dbraw/zinc/20/33/03/879203303.db2.gz MDODVLLHJJDAGW-XMSQKQJNSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000246206054 879203320 /nfs/dbraw/zinc/20/33/20/879203320.db2.gz MDODVLLHJJDAGW-XMSQKQJNSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000246206054 879203335 /nfs/dbraw/zinc/20/33/35/879203335.db2.gz MDODVLLHJJDAGW-XMSQKQJNSA-N 2 2 381.520 3.585 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)N(Cc2ccco2)Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246227666 879253587 /nfs/dbraw/zinc/25/35/87/879253587.db2.gz FNWIGSJFUCHUOP-SIKLNZKXSA-N 2 2 392.503 3.588 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccco2)Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246227666 879253599 /nfs/dbraw/zinc/25/35/99/879253599.db2.gz FNWIGSJFUCHUOP-SIKLNZKXSA-N 2 2 392.503 3.588 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CCN(c4ccccc4)C3)CC2)cc1 ZINC000152547801 879369170 /nfs/dbraw/zinc/36/91/70/879369170.db2.gz PMQWGBCHIQOSBT-FQEVSTJZSA-N 2 2 378.564 3.838 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2occc2-c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000461277963 879511013 /nfs/dbraw/zinc/51/10/13/879511013.db2.gz LXMYNXNZVQLTDG-UHFFFAOYSA-N 2 2 381.520 3.627 20 0 GHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000152751577 879650851 /nfs/dbraw/zinc/65/08/51/879650851.db2.gz SBFVDFMBNRAXDF-INIZCTEOSA-N 2 2 388.943 3.603 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000538556492 879708360 /nfs/dbraw/zinc/70/83/60/879708360.db2.gz CPFPOBBXTHSWRJ-CRAIPNDOSA-N 2 2 393.535 3.625 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000247084288 879913250 /nfs/dbraw/zinc/91/32/50/879913250.db2.gz PBVOUUOJJOSWHE-PGRDOPGGSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000247084288 879913259 /nfs/dbraw/zinc/91/32/59/879913259.db2.gz PBVOUUOJJOSWHE-PGRDOPGGSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000247137054 879928641 /nfs/dbraw/zinc/92/86/41/879928641.db2.gz SBCQKPCCAIGFNO-AUUYWEPGSA-N 2 2 392.316 3.983 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000247137054 879928651 /nfs/dbraw/zinc/92/86/51/879928651.db2.gz SBCQKPCCAIGFNO-AUUYWEPGSA-N 2 2 392.316 3.983 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000247216262 879944805 /nfs/dbraw/zinc/94/48/05/879944805.db2.gz XGVWYEZWDZQXQI-JRGCBEDISA-N 2 2 381.520 3.804 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000247216262 879944815 /nfs/dbraw/zinc/94/48/15/879944815.db2.gz XGVWYEZWDZQXQI-JRGCBEDISA-N 2 2 381.520 3.804 20 0 GHADLP CCn1c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)nc2cc(F)ccc21 ZINC000182959220 880043874 /nfs/dbraw/zinc/04/38/74/880043874.db2.gz BSRUTSMQGJBZGK-UHFFFAOYSA-N 2 2 388.531 3.520 20 0 GHADLP COCCC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453084287 880441472 /nfs/dbraw/zinc/44/14/72/880441472.db2.gz DJHQSDMMSAKAPG-RBZQAINGSA-N 3 2 385.596 3.520 20 0 GHADLP Cn1cc(-c2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)on2)cn1 ZINC000185026811 880451309 /nfs/dbraw/zinc/45/13/09/880451309.db2.gz JXCQHMWBKZCKLV-AUSIDOKSSA-N 2 2 391.519 3.562 20 0 GHADLP Cn1cc(-c2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)on2)cn1 ZINC000185026811 880451321 /nfs/dbraw/zinc/45/13/21/880451321.db2.gz JXCQHMWBKZCKLV-AUSIDOKSSA-N 2 2 391.519 3.562 20 0 GHADLP Cn1cc(-c2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)on2)cn1 ZINC000185026811 880451332 /nfs/dbraw/zinc/45/13/32/880451332.db2.gz JXCQHMWBKZCKLV-AUSIDOKSSA-N 2 2 391.519 3.562 20 0 GHADLP Cn1cc(-c2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)on2)cn1 ZINC000185026811 880451344 /nfs/dbraw/zinc/45/13/44/880451344.db2.gz JXCQHMWBKZCKLV-AUSIDOKSSA-N 2 2 391.519 3.562 20 0 GHADLP COc1cccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1 ZINC000453317672 880786353 /nfs/dbraw/zinc/78/63/53/880786353.db2.gz AKKSCPIPTNWBHJ-KRWDZBQOSA-N 2 2 381.520 3.969 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@@H]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]13)n2C ZINC000186538067 880912574 /nfs/dbraw/zinc/91/25/74/880912574.db2.gz OUBXOIHIQZGSDW-HLAWJBBLSA-N 2 2 390.531 3.582 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]13)n2C ZINC000186538067 880912582 /nfs/dbraw/zinc/91/25/82/880912582.db2.gz OUBXOIHIQZGSDW-HLAWJBBLSA-N 2 2 390.531 3.582 20 0 GHADLP COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000792241961 880999850 /nfs/dbraw/zinc/99/98/50/880999850.db2.gz BRQUXDCMRKADOA-JOCHJYFZSA-N 2 2 390.487 3.792 20 0 GHADLP COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000792241961 880999853 /nfs/dbraw/zinc/99/98/53/880999853.db2.gz BRQUXDCMRKADOA-JOCHJYFZSA-N 2 2 390.487 3.792 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000792254158 881019397 /nfs/dbraw/zinc/01/93/97/881019397.db2.gz FCTZQCVONFELHG-XLIONFOSSA-N 2 2 384.524 3.916 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000792254158 881019413 /nfs/dbraw/zinc/01/94/13/881019413.db2.gz FCTZQCVONFELHG-XLIONFOSSA-N 2 2 384.524 3.916 20 0 GHADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@@H]2C[C@H]3CCC[C@@H]3O2)o1 ZINC001170196104 881231747 /nfs/dbraw/zinc/23/17/47/881231747.db2.gz YCOUGJDDZKTSSS-PVAVHDDUSA-N 2 2 394.313 3.698 20 0 GHADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@@H]2C[C@H]3CCC[C@@H]3O2)o1 ZINC001170196104 881231762 /nfs/dbraw/zinc/23/17/62/881231762.db2.gz YCOUGJDDZKTSSS-PVAVHDDUSA-N 2 2 394.313 3.698 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C12CCC2 ZINC000858476018 883126342 /nfs/dbraw/zinc/12/63/42/883126342.db2.gz MSMHDCMYFRVSSE-SFHVURJKSA-N 2 2 386.540 3.572 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000537693955 883238927 /nfs/dbraw/zinc/23/89/27/883238927.db2.gz YZYDBIMUCJZBGZ-URXFXBBRSA-N 2 2 378.564 3.997 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000537693955 883238946 /nfs/dbraw/zinc/23/89/46/883238946.db2.gz YZYDBIMUCJZBGZ-URXFXBBRSA-N 2 2 378.564 3.997 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000537693955 883238965 /nfs/dbraw/zinc/23/89/65/883238965.db2.gz YZYDBIMUCJZBGZ-URXFXBBRSA-N 2 2 378.564 3.997 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000537693955 883238974 /nfs/dbraw/zinc/23/89/74/883238974.db2.gz YZYDBIMUCJZBGZ-URXFXBBRSA-N 2 2 378.564 3.997 20 0 GHADLP CC[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000465430738 883681532 /nfs/dbraw/zinc/68/15/32/883681532.db2.gz JHMXOYCPUXTTIK-NRFANRHFSA-N 2 2 386.584 3.696 20 0 GHADLP C[NH+]1CCC(CNC(=O)Cc2cccc(Cl)c2Cl)([NH+]2CCCCC2)CC1 ZINC000194211343 883720027 /nfs/dbraw/zinc/72/00/27/883720027.db2.gz ZCPSZWRLNCUUDA-UHFFFAOYSA-N 2 2 398.378 3.602 20 0 GHADLP CCC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000551386786 883780433 /nfs/dbraw/zinc/78/04/33/883780433.db2.gz DCSAIPQLADLBFG-AFXVXQJMSA-N 2 2 386.580 3.803 20 0 GHADLP CCC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000551386786 883780438 /nfs/dbraw/zinc/78/04/38/883780438.db2.gz DCSAIPQLADLBFG-AFXVXQJMSA-N 2 2 386.580 3.803 20 0 GHADLP CCC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000551386786 883780443 /nfs/dbraw/zinc/78/04/43/883780443.db2.gz DCSAIPQLADLBFG-AFXVXQJMSA-N 2 2 386.580 3.803 20 0 GHADLP CCC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000551386786 883780448 /nfs/dbraw/zinc/78/04/48/883780448.db2.gz DCSAIPQLADLBFG-AFXVXQJMSA-N 2 2 386.580 3.803 20 0 GHADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000556239230 884206798 /nfs/dbraw/zinc/20/67/98/884206798.db2.gz BSAAYWJPACBHSY-CRAIPNDOSA-N 2 2 378.969 3.731 20 0 GHADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000556239230 884206817 /nfs/dbraw/zinc/20/68/17/884206817.db2.gz BSAAYWJPACBHSY-CRAIPNDOSA-N 2 2 378.969 3.731 20 0 GHADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(C(=O)N(C)C)cc1 ZINC000494926745 884224638 /nfs/dbraw/zinc/22/46/38/884224638.db2.gz ZBRCLEGEZMDCQE-SFHVURJKSA-N 2 2 376.504 3.527 20 0 GHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[NH+](C)C ZINC000806551428 884770555 /nfs/dbraw/zinc/77/05/55/884770555.db2.gz NCORODLRHZEJCD-AVRDEDQJSA-N 2 2 391.519 3.671 20 0 GHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+]([C@H]4CCCc5ccccc54)C3)CC2)nc1 ZINC000498581295 884926939 /nfs/dbraw/zinc/92/69/39/884926939.db2.gz WGKSSPOSYUYQET-QPPBQGQZSA-N 2 2 390.575 3.993 20 0 GHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+]([C@H]4CCCc5ccccc54)C3)CC2)nc1 ZINC000498581295 884926952 /nfs/dbraw/zinc/92/69/52/884926952.db2.gz WGKSSPOSYUYQET-QPPBQGQZSA-N 2 2 390.575 3.993 20 0 GHADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000666452385 885102061 /nfs/dbraw/zinc/10/20/61/885102061.db2.gz ZMBHGGYGXTWCEH-SFHVURJKSA-N 2 2 393.535 3.844 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)C2)cc1 ZINC000556500967 885128810 /nfs/dbraw/zinc/12/88/10/885128810.db2.gz QAFBKUJXHCAXGI-RUZDIDTESA-N 3 2 399.623 3.866 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)C2)cc1 ZINC000556500967 885128820 /nfs/dbraw/zinc/12/88/20/885128820.db2.gz QAFBKUJXHCAXGI-RUZDIDTESA-N 3 2 399.623 3.866 20 0 GHADLP Cc1cc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c(C)c[nH+]1 ZINC000666495746 885216178 /nfs/dbraw/zinc/21/61/78/885216178.db2.gz BLVCGTKVKRHTMW-FQEVSTJZSA-N 2 2 378.520 3.544 20 0 GHADLP Cc1cc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c(C)c[nH+]1 ZINC000666495746 885216196 /nfs/dbraw/zinc/21/61/96/885216196.db2.gz BLVCGTKVKRHTMW-FQEVSTJZSA-N 2 2 378.520 3.544 20 0 GHADLP CCCCCC[N@H+](C)CC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000118315754 885587285 /nfs/dbraw/zinc/58/72/85/885587285.db2.gz UTJMVWPTDOSSMY-RTBURBONSA-N 2 2 375.557 3.746 20 0 GHADLP CCCCCC[N@@H+](C)CC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000118315754 885587296 /nfs/dbraw/zinc/58/72/96/885587296.db2.gz UTJMVWPTDOSSMY-RTBURBONSA-N 2 2 375.557 3.746 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H](C)[N@H+](C)Cc3ccccc3)cn2c1 ZINC000303525099 885607459 /nfs/dbraw/zinc/60/74/59/885607459.db2.gz ZXUAXJGXAYDIKM-GOSISDBHSA-N 2 2 396.560 3.513 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H](C)[N@@H+](C)Cc3ccccc3)cn2c1 ZINC000303525099 885607469 /nfs/dbraw/zinc/60/74/69/885607469.db2.gz ZXUAXJGXAYDIKM-GOSISDBHSA-N 2 2 396.560 3.513 20 0 GHADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000670173382 885959018 /nfs/dbraw/zinc/95/90/18/885959018.db2.gz SXCWWKJPEQJVNO-PWIZWCRZSA-N 2 2 392.613 3.788 20 0 GHADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000670173382 885959026 /nfs/dbraw/zinc/95/90/26/885959026.db2.gz SXCWWKJPEQJVNO-PWIZWCRZSA-N 2 2 392.613 3.788 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C/c3ccc(SC)s3)CC2)CC1 ZINC000862019253 886055197 /nfs/dbraw/zinc/05/51/97/886055197.db2.gz ONOQLVHTZFPOQY-FNORWQNLSA-N 2 2 393.622 3.502 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C/c3ccc(SC)s3)CC2)CC1 ZINC000862019253 886055205 /nfs/dbraw/zinc/05/52/05/886055205.db2.gz ONOQLVHTZFPOQY-FNORWQNLSA-N 2 2 393.622 3.502 20 0 GHADLP C[C@@H]1CC[N@H+](C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000498919942 886096002 /nfs/dbraw/zinc/09/60/02/886096002.db2.gz XIBHQFJDWXFSFD-MRXNPFEDSA-N 2 2 395.576 3.950 20 0 GHADLP C[C@@H]1CC[N@@H+](C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000498919942 886096006 /nfs/dbraw/zinc/09/60/06/886096006.db2.gz XIBHQFJDWXFSFD-MRXNPFEDSA-N 2 2 395.576 3.950 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N(C)[C@H]2CCCc3ccccc32)CC1 ZINC000429728887 886238950 /nfs/dbraw/zinc/23/89/50/886238950.db2.gz YDFYRMSWSIVHPI-QFIPXVFZSA-N 2 2 393.531 3.769 20 0 GHADLP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000429728649 886240735 /nfs/dbraw/zinc/24/07/35/886240735.db2.gz ZPRULPPBWSEEPX-QGZVFWFLSA-N 2 2 390.911 3.635 20 0 GHADLP Cc1cc(I)c(C[N@@H+]2CCCC23CC[NH2+]CC3)cc1C ZINC001235145382 886349817 /nfs/dbraw/zinc/34/98/17/886349817.db2.gz VGCHKNNHHZQVLL-UHFFFAOYSA-N 2 2 384.305 3.626 20 0 GHADLP Cc1cc(I)c(C[N@H+]2CCCC23CC[NH2+]CC3)cc1C ZINC001235145382 886349839 /nfs/dbraw/zinc/34/98/39/886349839.db2.gz VGCHKNNHHZQVLL-UHFFFAOYSA-N 2 2 384.305 3.626 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(N2CCCC2=O)cc1 ZINC000777259779 886393216 /nfs/dbraw/zinc/39/32/16/886393216.db2.gz WMPXBMFXDKEFAB-UTKZUKDTSA-N 2 2 393.535 3.522 20 0 GHADLP Cc1[nH+]ccn1CC[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000499063950 886570601 /nfs/dbraw/zinc/57/06/01/886570601.db2.gz FWTITHTXFJVQJB-UHFFFAOYSA-N 2 2 381.307 3.849 20 0 GHADLP COCCOc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000119333737 886598122 /nfs/dbraw/zinc/59/81/22/886598122.db2.gz SRZNTZROHCHZJW-UHFFFAOYSA-N 2 2 398.547 3.817 20 0 GHADLP COCCOc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000119333737 886598132 /nfs/dbraw/zinc/59/81/32/886598132.db2.gz SRZNTZROHCHZJW-UHFFFAOYSA-N 2 2 398.547 3.817 20 0 GHADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000116545119 886623039 /nfs/dbraw/zinc/62/30/39/886623039.db2.gz YUKOHXLMMDFHBP-UHFFFAOYSA-N 2 2 378.501 3.673 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000123505616 886643533 /nfs/dbraw/zinc/64/35/33/886643533.db2.gz UKOFKTNHDDGQMM-IBGZPJMESA-N 2 2 388.515 3.980 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000123505616 886643542 /nfs/dbraw/zinc/64/35/42/886643542.db2.gz UKOFKTNHDDGQMM-IBGZPJMESA-N 2 2 388.515 3.980 20 0 GHADLP O[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000795948661 913064850 /nfs/dbraw/zinc/06/48/50/913064850.db2.gz ASDURTHYBLLSAA-LOSJGSFVSA-N 2 2 393.575 3.787 20 0 GHADLP O[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000795948661 913064861 /nfs/dbraw/zinc/06/48/61/913064861.db2.gz ASDURTHYBLLSAA-LOSJGSFVSA-N 2 2 393.575 3.787 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1C ZINC000057611861 886770698 /nfs/dbraw/zinc/77/06/98/886770698.db2.gz PYNDUUQTIZGAMF-UHFFFAOYSA-N 2 2 396.535 3.644 20 0 GHADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C[C@H](C)O1 ZINC000237774504 886990205 /nfs/dbraw/zinc/99/02/05/886990205.db2.gz JIVXFTCQROLWDZ-PMACEKPBSA-N 2 2 396.579 3.814 20 0 GHADLP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000127443430 887062892 /nfs/dbraw/zinc/06/28/92/887062892.db2.gz IHHLZZMHSNMANH-WMZHIEFXSA-N 2 2 394.563 3.564 20 0 GHADLP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000127443430 887062900 /nfs/dbraw/zinc/06/29/00/887062900.db2.gz IHHLZZMHSNMANH-WMZHIEFXSA-N 2 2 394.563 3.564 20 0 GHADLP FC1(F)CCC(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000459331023 887434451 /nfs/dbraw/zinc/43/44/51/887434451.db2.gz UMIYCPPDBLCVJJ-FQEVSTJZSA-N 2 2 392.538 3.741 20 0 GHADLP FC1(F)CCC(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000459331023 887434461 /nfs/dbraw/zinc/43/44/61/887434461.db2.gz UMIYCPPDBLCVJJ-FQEVSTJZSA-N 2 2 392.538 3.741 20 0 GHADLP CC[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1 ZINC000051758613 887780969 /nfs/dbraw/zinc/78/09/69/887780969.db2.gz IXUAOOCMPLRLGF-FQEVSTJZSA-N 2 2 392.975 3.649 20 0 GHADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000810171661 888232557 /nfs/dbraw/zinc/23/25/57/888232557.db2.gz PBDPBOWHQXFZBL-CQSZACIVSA-N 2 2 390.318 3.917 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000810730131 888829129 /nfs/dbraw/zinc/82/91/29/888829129.db2.gz ASXKVZCWKLCDBK-QKLQHJQFSA-N 2 2 399.913 3.553 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000810730131 888829140 /nfs/dbraw/zinc/82/91/40/888829140.db2.gz ASXKVZCWKLCDBK-QKLQHJQFSA-N 2 2 399.913 3.553 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000810730131 888829153 /nfs/dbraw/zinc/82/91/53/888829153.db2.gz ASXKVZCWKLCDBK-QKLQHJQFSA-N 2 2 399.913 3.553 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000810730131 888829167 /nfs/dbraw/zinc/82/91/67/888829167.db2.gz ASXKVZCWKLCDBK-QKLQHJQFSA-N 2 2 399.913 3.553 20 0 GHADLP Cc1cc(C)c(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c[nH+]1 ZINC000454326681 888856976 /nfs/dbraw/zinc/85/69/76/888856976.db2.gz XIVXXRUQFSFNQL-KRWDZBQOSA-N 2 2 380.536 3.930 20 0 GHADLP Cc1cc(C)c(CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c[nH+]1 ZINC000454326681 888856987 /nfs/dbraw/zinc/85/69/87/888856987.db2.gz XIVXXRUQFSFNQL-KRWDZBQOSA-N 2 2 380.536 3.930 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000532739652 888857838 /nfs/dbraw/zinc/85/78/38/888857838.db2.gz OEKDULDDLYWXLA-GFSYIJCISA-N 2 2 395.551 3.556 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000532739652 888857854 /nfs/dbraw/zinc/85/78/54/888857854.db2.gz OEKDULDDLYWXLA-GFSYIJCISA-N 2 2 395.551 3.556 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c(C)c1 ZINC000532753786 888885325 /nfs/dbraw/zinc/88/53/25/888885325.db2.gz GRIWLRCLDUDLTI-OAQYLSRUSA-N 2 2 397.567 3.757 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)c(C)c1 ZINC000532753786 888885338 /nfs/dbraw/zinc/88/53/38/888885338.db2.gz GRIWLRCLDUDLTI-OAQYLSRUSA-N 2 2 397.567 3.757 20 0 GHADLP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000245589683 889027477 /nfs/dbraw/zinc/02/74/77/889027477.db2.gz KUGKMQDMQUUTJF-SFHLNBCPSA-N 2 2 383.536 3.605 20 0 GHADLP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000245589683 889027493 /nfs/dbraw/zinc/02/74/93/889027493.db2.gz KUGKMQDMQUUTJF-SFHLNBCPSA-N 2 2 383.536 3.605 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](C)C1 ZINC000245657322 889177237 /nfs/dbraw/zinc/17/72/37/889177237.db2.gz DWKOSKTWIAFNMT-DQGGMIFGSA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](C)C1 ZINC000245657322 889177243 /nfs/dbraw/zinc/17/72/43/889177243.db2.gz DWKOSKTWIAFNMT-DQGGMIFGSA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000245657322 889177248 /nfs/dbraw/zinc/17/72/48/889177248.db2.gz DWKOSKTWIAFNMT-DQGGMIFGSA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000245657322 889177254 /nfs/dbraw/zinc/17/72/54/889177254.db2.gz DWKOSKTWIAFNMT-DQGGMIFGSA-N 3 2 399.623 3.909 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124332323 889594471 /nfs/dbraw/zinc/59/44/71/889594471.db2.gz OTCVTTIYOPASEO-JOCHJYFZSA-N 2 2 392.503 3.902 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124332323 889594487 /nfs/dbraw/zinc/59/44/87/889594487.db2.gz OTCVTTIYOPASEO-JOCHJYFZSA-N 2 2 392.503 3.902 20 0 GHADLP CCCc1ncc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124584595 889684107 /nfs/dbraw/zinc/68/41/07/889684107.db2.gz UEAOWZLMKPXYPW-MSOLQXFVSA-N 2 2 392.613 3.505 20 0 GHADLP CCCc1ncc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124584595 889684112 /nfs/dbraw/zinc/68/41/12/889684112.db2.gz UEAOWZLMKPXYPW-MSOLQXFVSA-N 2 2 392.613 3.505 20 0 GHADLP CN(C(=O)c1cc(F)c(F)c(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124688377 889725476 /nfs/dbraw/zinc/72/54/76/889725476.db2.gz DMTLYZOHDWLFDN-MOPGFXCFSA-N 2 2 397.485 3.513 20 0 GHADLP CN(C(=O)c1cc(F)c(F)c(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124688377 889725482 /nfs/dbraw/zinc/72/54/82/889725482.db2.gz DMTLYZOHDWLFDN-MOPGFXCFSA-N 2 2 397.485 3.513 20 0 GHADLP CCCCNC(=O)CC[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532950 890773764 /nfs/dbraw/zinc/77/37/64/890773764.db2.gz JXYVTGMDXTWFLM-UHFFFAOYSA-N 2 2 389.588 3.506 20 0 GHADLP CCCCNC(=O)CC[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532950 890773779 /nfs/dbraw/zinc/77/37/79/890773779.db2.gz JXYVTGMDXTWFLM-UHFFFAOYSA-N 2 2 389.588 3.506 20 0 GHADLP CC[NH+](CC)Cc1ccccc1Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001211994010 890798599 /nfs/dbraw/zinc/79/85/99/890798599.db2.gz JNCPFLYWWBKOQB-UHFFFAOYSA-N 2 2 383.536 3.983 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(C)c1 ZINC000533542811 890808531 /nfs/dbraw/zinc/80/85/31/890808531.db2.gz LUAJGPMZGYKVIR-RBBKRZOGSA-N 2 2 395.551 3.511 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCc3nc4c(s3)CCCC4)CC2)cc1 ZINC000812833125 891016673 /nfs/dbraw/zinc/01/66/73/891016673.db2.gz ZHAKEPGPJKIRMS-UHFFFAOYSA-N 2 2 384.593 3.889 20 0 GHADLP CCc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533649413 891042268 /nfs/dbraw/zinc/04/22/68/891042268.db2.gz UBMCFWXRTWWTPS-XZOQPEGZSA-N 2 2 385.596 3.587 20 0 GHADLP CCc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533649413 891042275 /nfs/dbraw/zinc/04/22/75/891042275.db2.gz UBMCFWXRTWWTPS-XZOQPEGZSA-N 2 2 385.596 3.587 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c[nH+]1 ZINC000455558732 891212915 /nfs/dbraw/zinc/21/29/15/891212915.db2.gz NIELOZAMJIHMSJ-XMMPIXPASA-N 2 2 392.547 3.896 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c[nH+]1 ZINC000455558732 891212929 /nfs/dbraw/zinc/21/29/29/891212929.db2.gz NIELOZAMJIHMSJ-XMMPIXPASA-N 2 2 392.547 3.896 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(C4CCCCC4)cc3)C2)CC1 ZINC000644895637 913537367 /nfs/dbraw/zinc/53/73/67/913537367.db2.gz NQRYNANWBYALOJ-QFIPXVFZSA-N 2 2 398.595 3.702 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(C4CCCCC4)cc3)C2)CC1 ZINC000644895637 913537375 /nfs/dbraw/zinc/53/73/75/913537375.db2.gz NQRYNANWBYALOJ-QFIPXVFZSA-N 2 2 398.595 3.702 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000246842739 891313780 /nfs/dbraw/zinc/31/37/80/891313780.db2.gz BTFKRRRELNDOOJ-DZGCQCFKSA-N 2 2 384.471 3.600 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000246842739 891313797 /nfs/dbraw/zinc/31/37/97/891313797.db2.gz BTFKRRRELNDOOJ-DZGCQCFKSA-N 2 2 384.471 3.600 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3ccc(C[NH+]4CCCCCC4)cc3)[nH+]c12 ZINC000116614124 892005543 /nfs/dbraw/zinc/00/55/43/892005543.db2.gz NAVJOBDNTDCSHS-UHFFFAOYSA-N 2 2 390.531 3.878 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1OCC(F)(F)F ZINC000508677987 892330961 /nfs/dbraw/zinc/33/09/61/892330961.db2.gz PBGUXJFBSYPNNX-OAHLLOKOSA-N 2 2 397.441 3.825 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1OCC(F)(F)F ZINC000508677987 892330974 /nfs/dbraw/zinc/33/09/74/892330974.db2.gz PBGUXJFBSYPNNX-OAHLLOKOSA-N 2 2 397.441 3.825 20 0 GHADLP COc1cc(-c2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)ccc1OCC[NH+](C)C ZINC000923833139 892373118 /nfs/dbraw/zinc/37/31/18/892373118.db2.gz JRQGNIQBDUMFMH-KRWDZBQOSA-N 2 2 399.495 3.518 20 0 GHADLP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)C2)cc1 ZINC000125587394 892802730 /nfs/dbraw/zinc/80/27/30/892802730.db2.gz NQRZUBHSFIHUHG-ODGPQVTHSA-N 2 2 378.564 3.859 20 0 GHADLP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)C2)cc1 ZINC000125587394 892802749 /nfs/dbraw/zinc/80/27/49/892802749.db2.gz NQRZUBHSFIHUHG-ODGPQVTHSA-N 2 2 378.564 3.859 20 0 GHADLP COc1cc(OC)c(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000508715782 892867646 /nfs/dbraw/zinc/86/76/46/892867646.db2.gz XXVCIRMUGWBDJB-HKUYNNGSSA-N 2 2 384.520 3.713 20 0 GHADLP COc1cc(OC)c(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000508715782 892867653 /nfs/dbraw/zinc/86/76/53/892867653.db2.gz XXVCIRMUGWBDJB-HKUYNNGSSA-N 2 2 384.520 3.713 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000288351197 913739802 /nfs/dbraw/zinc/73/98/02/913739802.db2.gz ZIGLQMPSOPLXNJ-NQIIRXRSSA-N 2 2 385.556 3.559 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000129366161 893283506 /nfs/dbraw/zinc/28/35/06/893283506.db2.gz LVLMCEKSBIBHBM-XXBNENTESA-N 2 2 388.515 3.996 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000129366161 893283521 /nfs/dbraw/zinc/28/35/21/893283521.db2.gz LVLMCEKSBIBHBM-XXBNENTESA-N 2 2 388.515 3.996 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](C3CCC3)C3CCCCC3)CC2)CC1 ZINC000645205272 913753302 /nfs/dbraw/zinc/75/33/02/913753302.db2.gz NUNMYUDLQODJLZ-QFIPXVFZSA-N 2 2 390.616 3.593 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000536664999 893480931 /nfs/dbraw/zinc/48/09/31/893480931.db2.gz MMFVAKXSGWGROU-GOSISDBHSA-N 2 2 378.582 3.567 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000536664999 893480944 /nfs/dbraw/zinc/48/09/44/893480944.db2.gz MMFVAKXSGWGROU-GOSISDBHSA-N 2 2 378.582 3.567 20 0 GHADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000129495360 893510147 /nfs/dbraw/zinc/51/01/47/893510147.db2.gz BCTDKDPZLNSNTM-ROUUACIJSA-N 2 2 386.458 3.608 20 0 GHADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000129526702 893562292 /nfs/dbraw/zinc/56/22/92/893562292.db2.gz NYOBYMGFHCGSEY-ROUUACIJSA-N 2 2 386.458 3.608 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000444799135 893576607 /nfs/dbraw/zinc/57/66/07/893576607.db2.gz GXUFHEFWJYBXFF-OAQYLSRUSA-N 2 2 388.515 3.833 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000444799135 893576621 /nfs/dbraw/zinc/57/66/21/893576621.db2.gz GXUFHEFWJYBXFF-OAQYLSRUSA-N 2 2 388.515 3.833 20 0 GHADLP [NH3+][C@@H](C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1)C1CCCC1 ZINC000877444383 893605350 /nfs/dbraw/zinc/60/53/50/893605350.db2.gz JUIKYOYLFIOSOZ-REWPJTCUSA-N 2 2 394.563 3.620 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000459514176 893673833 /nfs/dbraw/zinc/67/38/33/893673833.db2.gz LPGWRFNFKVTCIB-LJQANCHMSA-N 2 2 381.520 3.659 20 0 GHADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000563374144 893678858 /nfs/dbraw/zinc/67/88/58/893678858.db2.gz NVSOTIWFRGCEJT-GHTZIAJQSA-N 2 2 376.504 3.940 20 0 GHADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000563374144 893678863 /nfs/dbraw/zinc/67/88/63/893678863.db2.gz NVSOTIWFRGCEJT-GHTZIAJQSA-N 2 2 376.504 3.940 20 0 GHADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000536851902 893936471 /nfs/dbraw/zinc/93/64/71/893936471.db2.gz NJKKCUVASJLZQU-UZLBHIALSA-N 2 2 399.000 3.746 20 0 GHADLP Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000878154897 894057615 /nfs/dbraw/zinc/05/76/15/894057615.db2.gz HAMABVFIATYEGR-KRWDZBQOSA-N 2 2 393.959 3.552 20 0 GHADLP CCc1oc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1C(=O)OC ZINC000563790114 894198081 /nfs/dbraw/zinc/19/80/81/894198081.db2.gz WBLJEODIKPCQEX-RBUKOAKNSA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1C(=O)OC ZINC000563790114 894198087 /nfs/dbraw/zinc/19/80/87/894198087.db2.gz WBLJEODIKPCQEX-RBUKOAKNSA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1C(=O)OC ZINC000563790114 894198091 /nfs/dbraw/zinc/19/80/91/894198091.db2.gz WBLJEODIKPCQEX-RBUKOAKNSA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1C(=O)OC ZINC000563790114 894198094 /nfs/dbraw/zinc/19/80/94/894198094.db2.gz WBLJEODIKPCQEX-RBUKOAKNSA-N 2 2 382.504 3.583 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)ccn12 ZINC000563896796 894304898 /nfs/dbraw/zinc/30/48/98/894304898.db2.gz HTLIYXVUHHEAFM-UHFFFAOYSA-N 2 2 388.515 3.771 20 0 GHADLP CC(C)CC[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)C ZINC000537291280 894713116 /nfs/dbraw/zinc/71/31/16/894713116.db2.gz OQNFDVVCKRORIT-OAQYLSRUSA-N 2 2 389.584 3.898 20 0 GHADLP COc1ccc(C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C2CCCCC2)cc1OC ZINC000564212965 894728092 /nfs/dbraw/zinc/72/80/92/894728092.db2.gz ZXVMTZWKDHMBBT-UHFFFAOYSA-N 2 2 388.512 3.616 20 0 GHADLP COc1ccc(C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C2CCCCC2)cc1OC ZINC000564212965 894728102 /nfs/dbraw/zinc/72/81/02/894728102.db2.gz ZXVMTZWKDHMBBT-UHFFFAOYSA-N 2 2 388.512 3.616 20 0 GHADLP Cc1n[nH]cc1C[NH+](C)Cc1cc(Cl)cc(C[N@H+](C)Cc2c[nH]nc2C)c1 ZINC000879188445 894889858 /nfs/dbraw/zinc/88/98/58/894889858.db2.gz LODZHCFJYKITFS-UHFFFAOYSA-N 2 2 386.931 3.667 20 0 GHADLP Cc1n[nH]cc1C[NH+](C)Cc1cc(Cl)cc(C[N@@H+](C)Cc2c[nH]nc2C)c1 ZINC000879188445 894889905 /nfs/dbraw/zinc/88/99/05/894889905.db2.gz LODZHCFJYKITFS-UHFFFAOYSA-N 2 2 386.931 3.667 20 0 GHADLP CN(C(=O)CC(C)(C)CC(F)F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000879290082 894956248 /nfs/dbraw/zinc/95/62/48/894956248.db2.gz AGXPCEQADUDKMK-ROUUACIJSA-N 2 2 387.559 3.854 20 0 GHADLP CN(C(=O)CC(C)(C)CC(F)F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000879290082 894956255 /nfs/dbraw/zinc/95/62/55/894956255.db2.gz AGXPCEQADUDKMK-ROUUACIJSA-N 2 2 387.559 3.854 20 0 GHADLP COC(=O)c1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c(Br)c1 ZINC000565137723 895417894 /nfs/dbraw/zinc/41/78/94/895417894.db2.gz YVGUASYGMSZYJP-AWEZNQCLSA-N 2 2 383.330 3.590 20 0 GHADLP O[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000817274329 895461518 /nfs/dbraw/zinc/46/15/18/895461518.db2.gz KGWBAGPKYAITDQ-BJKOFHAPSA-N 2 2 380.532 3.607 20 0 GHADLP O[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000817274329 895461526 /nfs/dbraw/zinc/46/15/26/895461526.db2.gz KGWBAGPKYAITDQ-BJKOFHAPSA-N 2 2 380.532 3.607 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(C)c1 ZINC000565734431 895839154 /nfs/dbraw/zinc/83/91/54/895839154.db2.gz AESJYZOSYBIICX-ILWGZMRPSA-N 2 2 395.551 3.509 20 0 GHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000566106448 896112669 /nfs/dbraw/zinc/11/26/69/896112669.db2.gz QCCIPUNQVAAQKQ-UGKGYDQZSA-N 2 2 393.531 3.627 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)c3ccccc3)C2)s1 ZINC000566306347 896228200 /nfs/dbraw/zinc/22/82/00/896228200.db2.gz NAPJOZCQRWVAHE-OALUTQOASA-N 2 2 385.577 3.862 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)N(C)c3ccccc3)C2)s1 ZINC000566306347 896228212 /nfs/dbraw/zinc/22/82/12/896228212.db2.gz NAPJOZCQRWVAHE-OALUTQOASA-N 2 2 385.577 3.862 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)N(C)c3ccccc3)C2)s1 ZINC000566306347 896228224 /nfs/dbraw/zinc/22/82/24/896228224.db2.gz NAPJOZCQRWVAHE-OALUTQOASA-N 2 2 385.577 3.862 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)N(C)c3ccccc3)C2)s1 ZINC000566306347 896228237 /nfs/dbraw/zinc/22/82/37/896228237.db2.gz NAPJOZCQRWVAHE-OALUTQOASA-N 2 2 385.577 3.862 20 0 GHADLP O[C@H](C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(C(F)(F)F)c1 ZINC000818952166 896290682 /nfs/dbraw/zinc/29/06/82/896290682.db2.gz GYDCOLANJNRDMP-LJQANCHMSA-N 2 2 375.394 3.773 20 0 GHADLP C[C@H](CNC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000566893494 896673950 /nfs/dbraw/zinc/67/39/50/896673950.db2.gz AVHZHBRAPWGAHC-MOPGFXCFSA-N 2 2 394.563 3.707 20 0 GHADLP CSC1(C[NH2+][C@H](c2nccn2C)c2ccccc2Cl)CC[NH+](C)CC1 ZINC000567004946 896786854 /nfs/dbraw/zinc/78/68/54/896786854.db2.gz YOEANVYPWQJZHE-KRWDZBQOSA-N 2 2 378.973 3.580 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+]Cc2cccc3c2CCOC3)CCOCC1)c1ccccc1 ZINC000883015909 897207551 /nfs/dbraw/zinc/20/75/51/897207551.db2.gz ICHJYJODKCLQPW-IBGZPJMESA-N 2 2 380.532 3.749 20 0 GHADLP COc1ccc(CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1OC ZINC000131049075 897306101 /nfs/dbraw/zinc/30/61/01/897306101.db2.gz GKHQPSOUWROMSR-UHFFFAOYSA-N 2 2 383.536 3.571 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)CC[N@@H+]1C ZINC000883281666 897442362 /nfs/dbraw/zinc/44/23/62/897442362.db2.gz UKOQWAVOTGNZIS-MAUKXSAKSA-N 2 2 375.513 3.711 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)CC[N@H+]1C ZINC000883281666 897442365 /nfs/dbraw/zinc/44/23/65/897442365.db2.gz UKOQWAVOTGNZIS-MAUKXSAKSA-N 2 2 375.513 3.711 20 0 GHADLP C[C@H]1C[C@H]([N@@H+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)CC[NH+]1C ZINC000883281666 897442368 /nfs/dbraw/zinc/44/23/68/897442368.db2.gz UKOQWAVOTGNZIS-MAUKXSAKSA-N 2 2 375.513 3.711 20 0 GHADLP C[C@H]1C[C@H]([N@H+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)CC[NH+]1C ZINC000883281666 897442372 /nfs/dbraw/zinc/44/23/72/897442372.db2.gz UKOQWAVOTGNZIS-MAUKXSAKSA-N 2 2 375.513 3.711 20 0 GHADLP c1csc(N2CCC([NH2+]c3ccc(N4CC[N@@H+]5CCC[C@@H]5C4)cc3)CC2)n1 ZINC000883346826 897517578 /nfs/dbraw/zinc/51/75/78/897517578.db2.gz HFFRCXFSCBNKAT-HXUWFJFHSA-N 2 2 383.565 3.508 20 0 GHADLP c1csc(N2CCC([NH2+]c3ccc(N4CC[N@H+]5CCC[C@@H]5C4)cc3)CC2)n1 ZINC000883346826 897517587 /nfs/dbraw/zinc/51/75/87/897517587.db2.gz HFFRCXFSCBNKAT-HXUWFJFHSA-N 2 2 383.565 3.508 20 0 GHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000883386395 897548276 /nfs/dbraw/zinc/54/82/76/897548276.db2.gz FLQJLGKLBPLXDF-XXBNENTESA-N 3 2 378.520 3.916 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000883386364 897548997 /nfs/dbraw/zinc/54/89/97/897548997.db2.gz DUDFBJZUAYNFRI-DYESRHJHSA-N 2 2 398.532 3.737 20 0 GHADLP COc1ccccc1N1CCC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883389588 897553792 /nfs/dbraw/zinc/55/37/92/897553792.db2.gz UGEROQDQGCNBAS-NRFANRHFSA-N 2 2 376.504 3.892 20 0 GHADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000883442887 897586717 /nfs/dbraw/zinc/58/67/17/897586717.db2.gz VEZFKEZSCNCYSW-BDAKNGLRSA-N 2 2 385.122 3.954 20 0 GHADLP CC1CC[NH+](C2CCC(NC(=O)Cc3c[nH+]cn3Cc3ccccc3)CC2)CC1 ZINC000568454597 897851390 /nfs/dbraw/zinc/85/13/90/897851390.db2.gz WXOVNIQNIPYOLH-UHFFFAOYSA-N 2 2 394.563 3.633 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2c[nH+]ccc2Nc2ccccc2)C1 ZINC001136493187 898046786 /nfs/dbraw/zinc/04/67/86/898046786.db2.gz UIVMWDRFKRXEDE-QWFCFKBJSA-N 2 2 378.520 3.725 20 0 GHADLP O[C@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)Cc1ccc(C(F)(F)F)cc1 ZINC000568975431 898252219 /nfs/dbraw/zinc/25/22/19/898252219.db2.gz GNYCNPXEAXSGCN-FQEVSTJZSA-N 2 2 389.421 3.643 20 0 GHADLP COc1nc2ccccc2cc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001137202435 898830668 /nfs/dbraw/zinc/83/06/68/898830668.db2.gz KMWMIFVIOORLDN-KDURUIRLSA-N 2 2 379.529 3.869 20 0 GHADLP COc1nc2ccccc2cc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001137202435 898830681 /nfs/dbraw/zinc/83/06/81/898830681.db2.gz KMWMIFVIOORLDN-KDURUIRLSA-N 2 2 379.529 3.869 20 0 GHADLP COc1nc2ccccc2cc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001137202435 898830694 /nfs/dbraw/zinc/83/06/94/898830694.db2.gz KMWMIFVIOORLDN-KDURUIRLSA-N 2 2 379.529 3.869 20 0 GHADLP COc1nc2ccccc2cc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001137202435 898830704 /nfs/dbraw/zinc/83/07/04/898830704.db2.gz KMWMIFVIOORLDN-KDURUIRLSA-N 2 2 379.529 3.869 20 0 GHADLP COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3c(C)cc(C)[nH+]c3C)CC2)cc1 ZINC000570045154 899089532 /nfs/dbraw/zinc/08/95/32/899089532.db2.gz RIEWFGRQMIMHIR-UHFFFAOYSA-N 2 2 382.508 3.755 20 0 GHADLP COc1ccc(C[N@H+]2CCCN(C(=O)Nc3c(C)cc(C)[nH+]c3C)CC2)cc1 ZINC000570045154 899089547 /nfs/dbraw/zinc/08/95/47/899089547.db2.gz RIEWFGRQMIMHIR-UHFFFAOYSA-N 2 2 382.508 3.755 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)[C@@H](C)C1 ZINC000570631927 899456442 /nfs/dbraw/zinc/45/64/42/899456442.db2.gz WIGKDDNEPSVTGB-XWGVYQGASA-N 3 2 399.623 3.910 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)[C@@H](C)C1 ZINC000570631927 899456447 /nfs/dbraw/zinc/45/64/47/899456447.db2.gz WIGKDDNEPSVTGB-XWGVYQGASA-N 3 2 399.623 3.910 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@@H](C)C1 ZINC000570631927 899456451 /nfs/dbraw/zinc/45/64/51/899456451.db2.gz WIGKDDNEPSVTGB-XWGVYQGASA-N 3 2 399.623 3.910 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@@H](C)C1 ZINC000570631927 899456453 /nfs/dbraw/zinc/45/64/53/899456453.db2.gz WIGKDDNEPSVTGB-XWGVYQGASA-N 3 2 399.623 3.910 20 0 GHADLP CC(C)COC(=O)N1CCC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000824477746 899622318 /nfs/dbraw/zinc/62/23/18/899622318.db2.gz WMRJEPWQYCJIEW-UHFFFAOYSA-N 2 2 390.915 3.872 20 0 GHADLP CC[NH+]1CCN(c2ccc(CNc3[nH+]ccc4cc(OC)c(F)cc43)cn2)CC1 ZINC000571435470 899866253 /nfs/dbraw/zinc/86/62/53/899866253.db2.gz BXYXTAKKXLWKEU-UHFFFAOYSA-N 2 2 395.482 3.532 20 0 GHADLP CCC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825255858 900054041 /nfs/dbraw/zinc/05/40/41/900054041.db2.gz YXTAIJOXGJLWOI-NQIIRXRSSA-N 2 2 382.556 3.780 20 0 GHADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001171097641 900388634 /nfs/dbraw/zinc/38/86/34/900388634.db2.gz FSHGOKVCHBNLTE-SLFFLAALSA-N 2 2 383.502 3.869 20 0 GHADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001171097641 900388636 /nfs/dbraw/zinc/38/86/36/900388636.db2.gz FSHGOKVCHBNLTE-SLFFLAALSA-N 2 2 383.502 3.869 20 0 GHADLP CCC[NH+]1CCN(c2ccc(NC(=O)C[C@@H](C)n3cc[nH+]c3)cc2Cl)CC1 ZINC000844349011 900745574 /nfs/dbraw/zinc/74/55/74/900745574.db2.gz FQJBMBGYPUIZCQ-MRXNPFEDSA-N 2 2 389.931 3.658 20 0 GHADLP C[N@H+](Cc1cc(Br)cc(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001144009286 900885393 /nfs/dbraw/zinc/88/53/93/900885393.db2.gz SJEMBMJMTIJWGG-UHFFFAOYSA-N 2 2 381.236 3.874 20 0 GHADLP C[N@@H+](Cc1cc(Br)cc(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001144009286 900885396 /nfs/dbraw/zinc/88/53/96/900885396.db2.gz SJEMBMJMTIJWGG-UHFFFAOYSA-N 2 2 381.236 3.874 20 0 GHADLP COc1ccc(-c2ncc(C[N@H+](C)CCC[NH+]3CCCC3)s2)cc1OC ZINC001144064793 901010556 /nfs/dbraw/zinc/01/05/56/901010556.db2.gz SSVLQYIQQQJEMV-UHFFFAOYSA-N 2 2 375.538 3.745 20 0 GHADLP COc1ccc(-c2ncc(C[N@@H+](C)CCC[NH+]3CCCC3)s2)cc1OC ZINC001144064793 901010565 /nfs/dbraw/zinc/01/05/65/901010565.db2.gz SSVLQYIQQQJEMV-UHFFFAOYSA-N 2 2 375.538 3.745 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000092645131 901503726 /nfs/dbraw/zinc/50/37/26/901503726.db2.gz BAZHSKMJWKZGMG-UHFFFAOYSA-N 2 2 389.547 3.919 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000092645131 901503729 /nfs/dbraw/zinc/50/37/29/901503729.db2.gz BAZHSKMJWKZGMG-UHFFFAOYSA-N 2 2 389.547 3.919 20 0 GHADLP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H]3CC[NH2+]CC3(F)F)c2c1C ZINC000576135758 901714292 /nfs/dbraw/zinc/71/42/92/901714292.db2.gz ZAXCDPYVKCAMTI-CQSZACIVSA-N 2 2 395.523 3.561 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000333288177 901975120 /nfs/dbraw/zinc/97/51/20/901975120.db2.gz IVFZRARGSICDLK-RBUKOAKNSA-N 2 2 393.535 3.740 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000333288176 901975768 /nfs/dbraw/zinc/97/57/68/901975768.db2.gz IVFZRARGSICDLK-OALUTQOASA-N 2 2 393.535 3.740 20 0 GHADLP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000333491497 902132105 /nfs/dbraw/zinc/13/21/05/902132105.db2.gz UVKYTKZTDTWHMT-PZJWPPBQSA-N 2 2 393.535 3.977 20 0 GHADLP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000333491497 902132110 /nfs/dbraw/zinc/13/21/10/902132110.db2.gz UVKYTKZTDTWHMT-PZJWPPBQSA-N 2 2 393.535 3.977 20 0 GHADLP O=C(CC[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000577056510 902471305 /nfs/dbraw/zinc/47/13/05/902471305.db2.gz GFTGUJISLIHVKA-QGZVFWFLSA-N 2 2 376.460 3.678 20 0 GHADLP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000577188550 902573802 /nfs/dbraw/zinc/57/38/02/902573802.db2.gz HZROKXTXWREECD-UHFFFAOYSA-N 2 2 396.535 3.997 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc2c(c1)CCCC2 ZINC000601067173 903291931 /nfs/dbraw/zinc/29/19/31/903291931.db2.gz OAGGFBAATJCUPV-SPEDKVCISA-N 2 2 380.536 3.665 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc2c(c1)CCCC2 ZINC000601067173 903291945 /nfs/dbraw/zinc/29/19/45/903291945.db2.gz OAGGFBAATJCUPV-SPEDKVCISA-N 2 2 380.536 3.665 20 0 GHADLP Fc1cccc2c1CC[C@@H]([NH+]1CCC3(CC1)C[N@H+](Cc1ccoc1)CCO3)C2 ZINC001171424464 904572984 /nfs/dbraw/zinc/57/29/84/904572984.db2.gz HYNFZYXGRLCXMV-HXUWFJFHSA-N 2 2 384.495 3.643 20 0 GHADLP Fc1cccc2c1CC[C@@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccoc1)CCO3)C2 ZINC001171424464 904572985 /nfs/dbraw/zinc/57/29/85/904572985.db2.gz HYNFZYXGRLCXMV-HXUWFJFHSA-N 2 2 384.495 3.643 20 0 GHADLP CSc1ccc([C@@H](CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)[NH+](C)C)cc1 ZINC000579458062 904622038 /nfs/dbraw/zinc/62/20/38/904622038.db2.gz ZGTZHRRRJPHHQV-OAQYLSRUSA-N 2 2 394.544 3.935 20 0 GHADLP Cc1cccc2c1CC[C@@H]([NH2+]CCSCc1csc(C[NH+](C)C)n1)C2 ZINC001171554238 904826188 /nfs/dbraw/zinc/82/61/88/904826188.db2.gz YSZSQYPFRALTKO-QGZVFWFLSA-N 2 2 375.607 3.893 20 0 GHADLP Fc1cccc2c1C[C@H]([NH+]1CC(c3[nH+]cn4cc(Br)ccc34)C1)C2 ZINC001171807013 905066053 /nfs/dbraw/zinc/06/60/53/905066053.db2.gz NKCOXWCMOHXJMY-OAHLLOKOSA-N 2 2 386.268 3.803 20 0 GHADLP COc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c(OC)n1 ZINC001172066759 905330669 /nfs/dbraw/zinc/33/06/69/905330669.db2.gz MZSPZJMCCXRCEC-WKCHPHFGSA-N 2 2 381.520 3.774 20 0 GHADLP COc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(OC)n1 ZINC001172066759 905330684 /nfs/dbraw/zinc/33/06/84/905330684.db2.gz MZSPZJMCCXRCEC-WKCHPHFGSA-N 2 2 381.520 3.774 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001172212006 905413969 /nfs/dbraw/zinc/41/39/69/905413969.db2.gz LXOHIXSAIDFZFJ-OBXNSHGQSA-N 2 2 378.944 3.766 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001172212006 905413977 /nfs/dbraw/zinc/41/39/77/905413977.db2.gz LXOHIXSAIDFZFJ-OBXNSHGQSA-N 2 2 378.944 3.766 20 0 GHADLP CC[C@H](C)OCC[C@H](C)[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001172338356 905502735 /nfs/dbraw/zinc/50/27/35/905502735.db2.gz NYUAMHKXBKRDSY-MHYXUVESSA-N 2 2 395.613 3.568 20 0 GHADLP CC[C@H](C)OCC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001172338356 905502742 /nfs/dbraw/zinc/50/27/42/905502742.db2.gz NYUAMHKXBKRDSY-MHYXUVESSA-N 2 2 395.613 3.568 20 0 GHADLP CC[C@H](C)OCC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001172338356 905502761 /nfs/dbraw/zinc/50/27/61/905502761.db2.gz NYUAMHKXBKRDSY-MHYXUVESSA-N 2 2 395.613 3.568 20 0 GHADLP CC[C@H](C)OCC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001172338356 905502780 /nfs/dbraw/zinc/50/27/80/905502780.db2.gz NYUAMHKXBKRDSY-MHYXUVESSA-N 2 2 395.613 3.568 20 0 GHADLP CCOCC[C@@H](C)[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001172430281 905540999 /nfs/dbraw/zinc/54/09/99/905540999.db2.gz GEFXDHHSTWTDPE-GOSISDBHSA-N 2 2 397.604 3.597 20 0 GHADLP CCOCC[C@@H](C)[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001172430281 905541005 /nfs/dbraw/zinc/54/10/05/905541005.db2.gz GEFXDHHSTWTDPE-GOSISDBHSA-N 2 2 397.604 3.597 20 0 GHADLP CC(C)OCC[C@@H](C)[NH2+]C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001172442181 905560594 /nfs/dbraw/zinc/56/05/94/905560594.db2.gz JHCRCNJWENYVMI-QPPBQGQZSA-N 2 2 384.564 3.843 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@@H+]2CCC[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172580258 905679637 /nfs/dbraw/zinc/67/96/37/905679637.db2.gz JASQOECFRHJMOY-CMKODMSKSA-N 2 2 391.531 3.998 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@H+]2CCC[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172580258 905679646 /nfs/dbraw/zinc/67/96/46/905679646.db2.gz JASQOECFRHJMOY-CMKODMSKSA-N 2 2 391.531 3.998 20 0 GHADLP COC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)CC1 ZINC001172778675 905819095 /nfs/dbraw/zinc/81/90/95/905819095.db2.gz NGMIQAUMUVXRMU-PKOBYXMFSA-N 2 2 376.516 3.810 20 0 GHADLP COc1cc(C[NH2+]CCCNc2cccc[nH+]2)ccc1OCc1c(C)noc1C ZINC000177590909 906173681 /nfs/dbraw/zinc/17/36/81/906173681.db2.gz XBNHSGGVPDQWRE-UHFFFAOYSA-N 2 2 396.491 3.866 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(Br)ccc1F ZINC000178469233 906345758 /nfs/dbraw/zinc/34/57/58/906345758.db2.gz VXICJGJXCYGKSN-KGLIPLIRSA-N 2 2 385.321 3.740 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000779403827 906789159 /nfs/dbraw/zinc/78/91/59/906789159.db2.gz JAHIINQXOAJVQK-IEBWSBKVSA-N 2 2 397.604 3.644 20 0 GHADLP CC(C)(C)OC(=O)N1CCN(c2[nH+]cccc2Nc2ccc3[nH+]ccn3c2)CC1 ZINC001174276988 906969956 /nfs/dbraw/zinc/96/99/56/906969956.db2.gz BJBMKVSUSLYJOW-UHFFFAOYSA-N 2 2 394.479 3.530 20 0 GHADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc(OC)c1OC ZINC000181593323 907034627 /nfs/dbraw/zinc/03/46/27/907034627.db2.gz AXPADJIIWPIQIN-IAGOWNOFSA-N 2 2 399.535 3.984 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000182909427 907287758 /nfs/dbraw/zinc/28/77/58/907287758.db2.gz LDTUFVYHIAUMLR-QZTJIDSGSA-N 2 2 388.556 3.501 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000182909427 907287780 /nfs/dbraw/zinc/28/77/80/907287780.db2.gz LDTUFVYHIAUMLR-QZTJIDSGSA-N 2 2 388.556 3.501 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000192029075 907368623 /nfs/dbraw/zinc/36/86/23/907368623.db2.gz PLWCSSNLQWZQHK-UHFFFAOYSA-N 2 2 381.911 3.547 20 0 GHADLP C[N@H+](Cc1ccccc1NC(=O)c1cc2n(n1)CCC[NH+](C)C2)C1CCCCC1 ZINC001175088907 907374554 /nfs/dbraw/zinc/37/45/54/907374554.db2.gz SDOBWHIYDJGAEZ-UHFFFAOYSA-N 2 2 395.551 3.735 20 0 GHADLP C[N@@H+](Cc1ccccc1NC(=O)c1cc2n(n1)CCC[NH+](C)C2)C1CCCCC1 ZINC001175088907 907374571 /nfs/dbraw/zinc/37/45/71/907374571.db2.gz SDOBWHIYDJGAEZ-UHFFFAOYSA-N 2 2 395.551 3.735 20 0 GHADLP C[NH+](Cc1ccccc1NC(=O)c1cc2n(n1)CCC[N@H+](C)C2)C1CCCCC1 ZINC001175088907 907374583 /nfs/dbraw/zinc/37/45/83/907374583.db2.gz SDOBWHIYDJGAEZ-UHFFFAOYSA-N 2 2 395.551 3.735 20 0 GHADLP C[NH+](Cc1ccccc1NC(=O)c1cc2n(n1)CCC[N@@H+](C)C2)C1CCCCC1 ZINC001175088907 907374601 /nfs/dbraw/zinc/37/46/01/907374601.db2.gz SDOBWHIYDJGAEZ-UHFFFAOYSA-N 2 2 395.551 3.735 20 0 GHADLP CCOC(=O)C1CC[NH+](Cc2cccc(Nc3ccc(N(C)C)[nH+]c3)c2)CC1 ZINC001175344846 907485465 /nfs/dbraw/zinc/48/54/65/907485465.db2.gz JOWVJEOJNRFZBN-UHFFFAOYSA-N 2 2 382.508 3.666 20 0 GHADLP Clc1c(Br)cccc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000631074394 907584288 /nfs/dbraw/zinc/58/42/88/907584288.db2.gz BUMLNSNMRDAGNW-ZDUSSCGKSA-N 2 2 387.749 3.693 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185729765 907824793 /nfs/dbraw/zinc/82/47/93/907824793.db2.gz USKFWOMHOWZTNL-HUUCEWRRSA-N 2 2 388.537 3.584 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185729765 907824806 /nfs/dbraw/zinc/82/48/06/907824806.db2.gz USKFWOMHOWZTNL-HUUCEWRRSA-N 2 2 388.537 3.584 20 0 GHADLP C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000186314335 907906134 /nfs/dbraw/zinc/90/61/34/907906134.db2.gz AUBGSUJTKCZXRH-UHFFFAOYSA-N 2 2 395.547 3.866 20 0 GHADLP C[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000186314335 907906145 /nfs/dbraw/zinc/90/61/45/907906145.db2.gz AUBGSUJTKCZXRH-UHFFFAOYSA-N 2 2 395.547 3.866 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176274274 908008256 /nfs/dbraw/zinc/00/82/56/908008256.db2.gz TURVSWJUGLURNC-FGTMMUONSA-N 2 2 392.503 3.604 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176274274 908008273 /nfs/dbraw/zinc/00/82/73/908008273.db2.gz TURVSWJUGLURNC-FGTMMUONSA-N 2 2 392.503 3.604 20 0 GHADLP C[NH+](C)CCCOc1ccc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)cn1 ZINC001176352696 908068019 /nfs/dbraw/zinc/06/80/19/908068019.db2.gz VMSQBFJRNVNCGA-UHFFFAOYSA-N 2 2 387.484 3.898 20 0 GHADLP COc1ccc(OCc2nc(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)cs2)cc1 ZINC000634733149 908816519 /nfs/dbraw/zinc/81/65/19/908816519.db2.gz XWFGFJRLRMSKBK-OAHLLOKOSA-N 2 2 375.538 3.599 20 0 GHADLP COc1cccc(-c2n[nH]cc2C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC001178254473 908955099 /nfs/dbraw/zinc/95/50/99/908955099.db2.gz PDHNEAFNDLSCMY-QGZVFWFLSA-N 2 2 391.519 3.796 20 0 GHADLP CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000266791788 909302864 /nfs/dbraw/zinc/30/28/64/909302864.db2.gz DTNUDKKTXQHVCI-QHCPKHFHSA-N 2 2 388.515 3.668 20 0 GHADLP CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000266791788 909302878 /nfs/dbraw/zinc/30/28/78/909302878.db2.gz DTNUDKKTXQHVCI-QHCPKHFHSA-N 2 2 388.515 3.668 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC001180083484 909936588 /nfs/dbraw/zinc/93/65/88/909936588.db2.gz ZQYPTWPMILDCKV-CQSZACIVSA-N 2 2 378.410 3.657 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC001180083484 909936596 /nfs/dbraw/zinc/93/65/96/909936596.db2.gz ZQYPTWPMILDCKV-CQSZACIVSA-N 2 2 378.410 3.657 20 0 GHADLP C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268791580 910018800 /nfs/dbraw/zinc/01/88/00/910018800.db2.gz YBLMSQXFTVQKMD-VGOFRKELSA-N 2 2 396.510 3.940 20 0 GHADLP C[NH+](C)[C@H](C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1)c1ccc(Cl)cc1 ZINC001274455721 910090586 /nfs/dbraw/zinc/09/05/86/910090586.db2.gz SXGMCNZOZFWBSC-UFYCRDLUSA-N 2 2 375.944 3.561 20 0 GHADLP C[NH+](C)[C@H](C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1)c1ccc(Cl)cc1 ZINC001274455721 910090595 /nfs/dbraw/zinc/09/05/95/910090595.db2.gz SXGMCNZOZFWBSC-UFYCRDLUSA-N 2 2 375.944 3.561 20 0 GHADLP Cc1cc(C[NH3+])oc1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000638295822 910107531 /nfs/dbraw/zinc/10/75/31/910107531.db2.gz WTDNPBGBCWFOFD-ROUUACIJSA-N 2 2 393.890 3.793 20 0 GHADLP Cc1cc(C[NH3+])oc1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000638295822 910107539 /nfs/dbraw/zinc/10/75/39/910107539.db2.gz WTDNPBGBCWFOFD-ROUUACIJSA-N 2 2 393.890 3.793 20 0 GHADLP CO[C@@H](C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCOC1 ZINC000638534014 910173724 /nfs/dbraw/zinc/17/37/24/910173724.db2.gz NXTCNTNBPVRFKB-UPVQGACJSA-N 2 2 391.515 3.740 20 0 GHADLP FC(F)(F)c1ncc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000639304982 910380355 /nfs/dbraw/zinc/38/03/55/910380355.db2.gz HANPSUPCMXBIQZ-FUHWJXTLSA-N 2 2 376.426 3.953 20 0 GHADLP FC(F)(F)c1ncc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000639304982 910380372 /nfs/dbraw/zinc/38/03/72/910380372.db2.gz HANPSUPCMXBIQZ-FUHWJXTLSA-N 2 2 376.426 3.953 20 0 GHADLP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639346439 910395236 /nfs/dbraw/zinc/39/52/36/910395236.db2.gz RABPQEKGEQHFQK-QAPCUYQASA-N 2 2 378.442 3.897 20 0 GHADLP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639346439 910395246 /nfs/dbraw/zinc/39/52/46/910395246.db2.gz RABPQEKGEQHFQK-QAPCUYQASA-N 2 2 378.442 3.897 20 0 GHADLP Fc1ccc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)cc1C[NH+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639776770 910657840 /nfs/dbraw/zinc/65/78/40/910657840.db2.gz FRNJAKCMDPBNNG-FGZHOGPDSA-N 2 2 394.498 3.946 20 0 GHADLP Fc1ccc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)cc1C[NH+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639776770 910657846 /nfs/dbraw/zinc/65/78/46/910657846.db2.gz FRNJAKCMDPBNNG-FGZHOGPDSA-N 2 2 394.498 3.946 20 0 GHADLP Fc1ccc(C[NH+]2CCC[C@@H]2c2cn[nH]c2)cc1C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639776770 910657856 /nfs/dbraw/zinc/65/78/56/910657856.db2.gz FRNJAKCMDPBNNG-FGZHOGPDSA-N 2 2 394.498 3.946 20 0 GHADLP Fc1ccc(C[NH+]2CCC[C@@H]2c2cn[nH]c2)cc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639776770 910657866 /nfs/dbraw/zinc/65/78/66/910657866.db2.gz FRNJAKCMDPBNNG-FGZHOGPDSA-N 2 2 394.498 3.946 20 0 GHADLP C[NH+]1CCC(Oc2ccc(C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)cc2)CC1 ZINC000284185859 911783467 /nfs/dbraw/zinc/78/34/67/911783467.db2.gz AUADSSWSDINRJW-UHFFFAOYSA-N 3 2 399.501 3.666 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000291041690 914934530 /nfs/dbraw/zinc/93/45/30/914934530.db2.gz HGHMKIFQKHBZLA-LEWJYISDSA-N 2 2 395.551 3.601 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000291041690 914934536 /nfs/dbraw/zinc/93/45/36/914934536.db2.gz HGHMKIFQKHBZLA-LEWJYISDSA-N 2 2 395.551 3.601 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C[C@H]1C(=O)NCc1[nH+]cn2ccccc12 ZINC001187037358 915010000 /nfs/dbraw/zinc/01/00/00/915010000.db2.gz MCRQAEBFBOHJIY-UZLBHIALSA-N 2 2 398.457 3.811 20 0 GHADLP C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C[C@H]1C(=O)NCc1[nH+]cn2ccccc12 ZINC001187037358 915010015 /nfs/dbraw/zinc/01/00/15/915010015.db2.gz MCRQAEBFBOHJIY-UZLBHIALSA-N 2 2 398.457 3.811 20 0 GHADLP CC(C)[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)cc1F ZINC000543772275 915090229 /nfs/dbraw/zinc/09/02/29/915090229.db2.gz APMRBEOAUQMDST-HXUWFJFHSA-N 2 2 383.939 3.709 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000647899383 915430411 /nfs/dbraw/zinc/43/04/11/915430411.db2.gz IZTXGKPZCMSIOQ-KMDXXIMOSA-N 2 2 391.559 3.551 20 0 GHADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000647899383 915430421 /nfs/dbraw/zinc/43/04/21/915430421.db2.gz IZTXGKPZCMSIOQ-KMDXXIMOSA-N 2 2 391.559 3.551 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(Cl)c(Cl)c1 ZINC000647899320 915431230 /nfs/dbraw/zinc/43/12/30/915431230.db2.gz GLCSWABLHOGUGW-JOQOYGCGSA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(Cl)c(Cl)c1 ZINC000647899320 915431236 /nfs/dbraw/zinc/43/12/36/915431236.db2.gz GLCSWABLHOGUGW-JOQOYGCGSA-N 2 2 384.351 3.635 20 0 GHADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000292855485 915875379 /nfs/dbraw/zinc/87/53/79/915875379.db2.gz ZQJKQAZCTBOWJZ-MOPGFXCFSA-N 2 2 387.549 3.683 20 0 GHADLP COc1ccc(C2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)nc1 ZINC000649650590 916295660 /nfs/dbraw/zinc/29/56/60/916295660.db2.gz DMFQLRUDQWNATP-QHCPKHFHSA-N 2 2 395.547 3.561 20 0 GHADLP COc1ccc(C2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)nc1 ZINC000649650590 916295671 /nfs/dbraw/zinc/29/56/71/916295671.db2.gz DMFQLRUDQWNATP-QHCPKHFHSA-N 2 2 395.547 3.561 20 0 GHADLP C[C@H](CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000650081938 916709484 /nfs/dbraw/zinc/70/94/84/916709484.db2.gz OTFNSUFBOPZOQA-CQSZACIVSA-N 2 2 376.888 3.599 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCC(C(C)C)CC3)CC2)cc1 ZINC001191013930 917706966 /nfs/dbraw/zinc/70/69/66/917706966.db2.gz SUCMNZBCJDMTPH-UHFFFAOYSA-N 2 2 385.596 3.822 20 0 GHADLP Fc1cccc(F)c1CCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000653672539 918402276 /nfs/dbraw/zinc/40/22/76/918402276.db2.gz RDQZSSJODZWVMF-NRFANRHFSA-N 2 2 399.529 3.790 20 0 GHADLP Fc1cccc(F)c1CCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000653672539 918402278 /nfs/dbraw/zinc/40/22/78/918402278.db2.gz RDQZSSJODZWVMF-NRFANRHFSA-N 2 2 399.529 3.790 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)C2 ZINC000364563067 919644064 /nfs/dbraw/zinc/64/40/64/919644064.db2.gz CSQLDQXKQSGMRK-QGZVFWFLSA-N 2 2 380.536 3.550 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)CC2 ZINC000364563067 919644077 /nfs/dbraw/zinc/64/40/77/919644077.db2.gz CSQLDQXKQSGMRK-QGZVFWFLSA-N 2 2 380.536 3.550 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@H]1c1cccs1 ZINC000365568329 920959078 /nfs/dbraw/zinc/95/90/78/920959078.db2.gz GUDKNCDSODGCFU-FPOVZHCZSA-N 2 2 394.544 3.806 20 0 GHADLP C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@H]1c1cccs1 ZINC000365568329 920959098 /nfs/dbraw/zinc/95/90/98/920959098.db2.gz GUDKNCDSODGCFU-FPOVZHCZSA-N 2 2 394.544 3.806 20 0 GHADLP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000367122094 921931250 /nfs/dbraw/zinc/93/12/50/921931250.db2.gz WTIOLDBFUSNIKM-SFTDATJTSA-N 2 2 379.504 3.822 20 0 GHADLP CN(Cc1csc(-c2ccc(F)cc2)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367686597 922267192 /nfs/dbraw/zinc/26/71/92/922267192.db2.gz URASQYMHBBRCHK-FQEVSTJZSA-N 2 2 388.556 3.550 20 0 GHADLP CN(Cc1csc(-c2ccc(F)cc2)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367686597 922267207 /nfs/dbraw/zinc/26/72/07/922267207.db2.gz URASQYMHBBRCHK-FQEVSTJZSA-N 2 2 388.556 3.550 20 0 GHADLP Cn1cc[nH+]c1CCCOC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000802786366 922403601 /nfs/dbraw/zinc/40/36/01/922403601.db2.gz QMLHDPWVYFWSKU-UHFFFAOYSA-N 2 2 377.488 3.842 20 0 GHADLP COc1ccc(Cl)c2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000903099008 922770455 /nfs/dbraw/zinc/77/04/55/922770455.db2.gz XDFDJCTYNYHQNB-KXBFYZLASA-N 2 2 378.944 3.817 20 0 GHADLP COc1ccc(F)cc1-c1cncc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000903769824 923271280 /nfs/dbraw/zinc/27/12/80/923271280.db2.gz OVQDBOWOHFGWNZ-QAPCUYQASA-N 2 2 397.416 3.855 20 0 GHADLP COc1ccc(F)cc1-c1cncc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000903769824 923271289 /nfs/dbraw/zinc/27/12/89/923271289.db2.gz OVQDBOWOHFGWNZ-QAPCUYQASA-N 2 2 397.416 3.855 20 0 GHADLP Fc1cc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)ccc1-n1cc[nH+]c1 ZINC000369562499 923429253 /nfs/dbraw/zinc/42/92/53/923429253.db2.gz SUEKXTIEZGGLNI-UHFFFAOYSA-N 2 2 382.830 3.535 20 0 GHADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000676907680 924142747 /nfs/dbraw/zinc/14/27/47/924142747.db2.gz KLYFVHXPUAPGKQ-QFIPXVFZSA-N 2 2 398.938 3.595 20 0 GHADLP CC(C)CCc1nc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cs1 ZINC000371340533 924534635 /nfs/dbraw/zinc/53/46/35/924534635.db2.gz FZCMHBVBPJQVFF-UHFFFAOYSA-N 2 2 378.630 3.722 20 0 GHADLP COc1ccc(-c2nc(CC[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)co2)cc1 ZINC000371667208 924760786 /nfs/dbraw/zinc/76/07/86/924760786.db2.gz ZZINUXRTOIUPIQ-UHFFFAOYSA-N 2 2 397.441 3.899 20 0 GHADLP O=C(C[NH2+][C@H](CC1CC1)c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000678776727 924917519 /nfs/dbraw/zinc/91/75/19/924917519.db2.gz OIGIFIOZFKUQDI-HSZRJFAPSA-N 2 2 393.531 3.588 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000678791321 924923947 /nfs/dbraw/zinc/92/39/47/924923947.db2.gz SSNJIMBFYCCCJI-NTKDMRAZSA-N 2 2 375.516 3.892 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000678791321 924923953 /nfs/dbraw/zinc/92/39/53/924923953.db2.gz SSNJIMBFYCCCJI-NTKDMRAZSA-N 2 2 375.516 3.892 20 0 GHADLP CCSc1cc(Cl)ccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372020784 925073817 /nfs/dbraw/zinc/07/38/17/925073817.db2.gz OZRXSUSIJVIEDG-QGZVFWFLSA-N 2 2 396.000 3.693 20 0 GHADLP CCSc1cc(Cl)ccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372020784 925073823 /nfs/dbraw/zinc/07/38/23/925073823.db2.gz OZRXSUSIJVIEDG-QGZVFWFLSA-N 2 2 396.000 3.693 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1c[nH]c3ncccc13)CC2 ZINC001137398874 925377988 /nfs/dbraw/zinc/37/79/88/925377988.db2.gz BVTDRZDVMWQFQR-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1c[nH]c3ncccc13)CC2 ZINC001137398874 925377993 /nfs/dbraw/zinc/37/79/93/925377993.db2.gz BVTDRZDVMWQFQR-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000372390696 925384971 /nfs/dbraw/zinc/38/49/71/925384971.db2.gz XCNIBLWMXNGZGD-LJQANCHMSA-N 2 2 382.552 3.796 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000372390696 925384979 /nfs/dbraw/zinc/38/49/79/925384979.db2.gz XCNIBLWMXNGZGD-LJQANCHMSA-N 2 2 382.552 3.796 20 0 GHADLP COCCn1c2ccccc2[nH+]c1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000680976985 925676714 /nfs/dbraw/zinc/67/67/14/925676714.db2.gz RHXMBOHCEBTMMP-UHFFFAOYSA-N 2 2 394.519 3.769 20 0 GHADLP CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000681219527 925765004 /nfs/dbraw/zinc/76/50/04/925765004.db2.gz YDJPFKHCAMXWFI-HZPDHXFCSA-N 2 2 399.004 3.663 20 0 GHADLP CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000681219527 925765008 /nfs/dbraw/zinc/76/50/08/925765008.db2.gz YDJPFKHCAMXWFI-HZPDHXFCSA-N 2 2 399.004 3.663 20 0 GHADLP O[C@@H]1CCC[C@]1(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)Cc1ccc(F)cc1 ZINC000372994084 925805487 /nfs/dbraw/zinc/80/54/87/925805487.db2.gz AFYYPOLFFCFMOE-DNQXCXABSA-N 2 2 397.538 3.549 20 0 GHADLP COCCn1cc2c(n1)[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CCC2 ZINC000373209054 925934832 /nfs/dbraw/zinc/93/48/32/925934832.db2.gz VIPXUXZUWMFNNZ-GPJHCHHRSA-N 2 2 394.563 3.692 20 0 GHADLP COCCn1cc2c(n1)[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CCC2 ZINC000373209054 925934837 /nfs/dbraw/zinc/93/48/37/925934837.db2.gz VIPXUXZUWMFNNZ-GPJHCHHRSA-N 2 2 394.563 3.692 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3OC)no2)[C@@H](C)C1 ZINC000682535771 926156121 /nfs/dbraw/zinc/15/61/21/926156121.db2.gz IOYODQKGRNKGCV-PXNSSMCTSA-N 2 2 387.524 3.577 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3OC)no2)[C@@H](C)C1 ZINC000682535771 926156127 /nfs/dbraw/zinc/15/61/27/926156127.db2.gz IOYODQKGRNKGCV-PXNSSMCTSA-N 2 2 387.524 3.577 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@@H]1C ZINC000373482804 926177956 /nfs/dbraw/zinc/17/79/56/926177956.db2.gz IDPIJGZPVWLIHA-MPHSKAIDSA-N 2 2 390.490 3.749 20 0 GHADLP CC(CC[NH+]1CCO[C@H](c2ccco2)C1)CC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000411321892 926302820 /nfs/dbraw/zinc/30/28/20/926302820.db2.gz CZYRZJDYOZZETB-VXKWHMMOSA-N 2 2 388.508 3.736 20 0 GHADLP CC(CC[NH+]1CCO[C@H](c2ccco2)C1)CC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000411321892 926302822 /nfs/dbraw/zinc/30/28/22/926302822.db2.gz CZYRZJDYOZZETB-VXKWHMMOSA-N 2 2 388.508 3.736 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000411424939 926378739 /nfs/dbraw/zinc/37/87/39/926378739.db2.gz LKEJOBJOYSVZMB-OAHLLOKOSA-N 2 2 394.441 3.722 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000411424939 926378741 /nfs/dbraw/zinc/37/87/41/926378741.db2.gz LKEJOBJOYSVZMB-OAHLLOKOSA-N 2 2 394.441 3.722 20 0 GHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000373787446 926426905 /nfs/dbraw/zinc/42/69/05/926426905.db2.gz MUKSXKFTBFGACJ-UHFFFAOYSA-N 2 2 395.551 3.912 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1C ZINC000749558920 927188518 /nfs/dbraw/zinc/18/85/18/927188518.db2.gz PEAXYTZEIWGNLW-UHFFFAOYSA-N 2 2 396.535 3.513 20 0 GHADLP CN(C(=O)[C@@]1(C)C[C@@H]1c1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000412214621 927216432 /nfs/dbraw/zinc/21/64/32/927216432.db2.gz MFQQVCHGNZDOMT-WBJOIXBTSA-N 2 2 397.607 3.976 20 0 GHADLP CN(C(=O)[C@@]1(C)C[C@@H]1c1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000412214621 927216439 /nfs/dbraw/zinc/21/64/39/927216439.db2.gz MFQQVCHGNZDOMT-WBJOIXBTSA-N 2 2 397.607 3.976 20 0 GHADLP O=C1[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCN1c1cccc(Cl)c1 ZINC000749879318 927327398 /nfs/dbraw/zinc/32/73/98/927327398.db2.gz MSMMFSZBYMEJCJ-NRFANRHFSA-N 2 2 383.923 3.700 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1Br ZINC000751579225 928259703 /nfs/dbraw/zinc/25/97/03/928259703.db2.gz ZYMGUKREANMPSP-SFHVURJKSA-N 2 2 390.256 3.597 20 0 GHADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543991000 928656392 /nfs/dbraw/zinc/65/63/92/928656392.db2.gz DQOWRBSXNPLLKY-LJQANCHMSA-N 2 2 398.551 3.604 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000467132737 928738238 /nfs/dbraw/zinc/73/82/38/928738238.db2.gz ZKLSFGMRRFHAAA-UHFFFAOYSA-N 2 2 390.487 3.807 20 0 GHADLP COc1ccc(Br)c(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)c1 ZINC000544110722 928818409 /nfs/dbraw/zinc/81/84/09/928818409.db2.gz GTBSNQINTKWWMG-UHFFFAOYSA-N 2 2 387.281 3.637 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](c3cncc(F)c3)C3CC3)CC2)c1 ZINC000467312854 928948059 /nfs/dbraw/zinc/94/80/59/928948059.db2.gz KAPAXXWEVDNUHX-HSZRJFAPSA-N 2 2 382.527 3.782 20 0 GHADLP COc1ccc2c(c1)[C@H](Nc1ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]1)CCS2 ZINC000467419257 929051698 /nfs/dbraw/zinc/05/16/98/929051698.db2.gz PXTMLTUZLOQMAB-VQIMIIECSA-N 2 2 384.549 3.880 20 0 GHADLP COc1ccc2c(c1)[C@@H](Nc1ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]1)CCS2 ZINC000467419255 929052223 /nfs/dbraw/zinc/05/22/23/929052223.db2.gz PXTMLTUZLOQMAB-LPHOPBHVSA-N 2 2 384.549 3.880 20 0 GHADLP COc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1C ZINC000753641336 929457384 /nfs/dbraw/zinc/45/73/84/929457384.db2.gz VPRNUBOSYNLGRL-FQEVSTJZSA-N 2 2 398.547 3.874 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000469765836 930146181 /nfs/dbraw/zinc/14/61/81/930146181.db2.gz CDYZEFKGULLXGE-DAYGRLMNSA-N 2 2 399.938 3.533 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000469765836 930146183 /nfs/dbraw/zinc/14/61/83/930146183.db2.gz CDYZEFKGULLXGE-DAYGRLMNSA-N 2 2 399.938 3.533 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2C(C)(C)C)[C@@H](C)C1 ZINC000469789735 930163829 /nfs/dbraw/zinc/16/38/29/930163829.db2.gz FXMPZZCKAWMRPT-AZUAARDMSA-N 2 2 389.584 3.649 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2C(C)(C)C)[C@@H](C)C1 ZINC000469789735 930163832 /nfs/dbraw/zinc/16/38/32/930163832.db2.gz FXMPZZCKAWMRPT-AZUAARDMSA-N 2 2 389.584 3.649 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C)cc2OC(C)(C)C)CC1 ZINC000547329918 930922562 /nfs/dbraw/zinc/92/25/62/930922562.db2.gz LXBWBBRVLBIAHW-UHFFFAOYSA-N 2 2 376.541 3.680 20 0 GHADLP CC(C)n1ncc2cc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cnc21 ZINC000471006104 931090698 /nfs/dbraw/zinc/09/06/98/931090698.db2.gz MROMIBYNVYKGCG-SZPZYZBQSA-N 2 2 375.520 3.576 20 0 GHADLP CC(C)n1ncc2cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cnc21 ZINC000471006104 931090713 /nfs/dbraw/zinc/09/07/13/931090713.db2.gz MROMIBYNVYKGCG-SZPZYZBQSA-N 2 2 375.520 3.576 20 0 GHADLP CC(C)n1ncc2cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cnc21 ZINC000471006104 931090716 /nfs/dbraw/zinc/09/07/16/931090716.db2.gz MROMIBYNVYKGCG-SZPZYZBQSA-N 2 2 375.520 3.576 20 0 GHADLP CC(C)n1ncc2cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cnc21 ZINC000471006104 931090725 /nfs/dbraw/zinc/09/07/25/931090725.db2.gz MROMIBYNVYKGCG-SZPZYZBQSA-N 2 2 375.520 3.576 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000782546909 931265406 /nfs/dbraw/zinc/26/54/06/931265406.db2.gz LSQNKEGUUZSFBV-CABCVRRESA-N 2 2 376.526 3.859 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cn2c(n1)CCCC2 ZINC000924963278 931596595 /nfs/dbraw/zinc/59/65/95/931596595.db2.gz JWAPHQAUMGWAQH-DLBZAZTESA-N 2 2 385.531 3.522 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)C2(Br)CC2)CCOCC1)c1ccccc1 ZINC000925109792 931649916 /nfs/dbraw/zinc/64/99/16/931649916.db2.gz FWLOUHIVEVSVMY-HOTGVXAUSA-N 2 2 381.358 3.792 20 0 GHADLP CCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCc2ccccc21 ZINC000558061440 931821923 /nfs/dbraw/zinc/82/19/23/931821923.db2.gz VLRUQQZBVQNSDW-QFIPXVFZSA-N 2 2 392.547 3.520 20 0 GHADLP CCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCc2ccccc21 ZINC000558061440 931821926 /nfs/dbraw/zinc/82/19/26/931821926.db2.gz VLRUQQZBVQNSDW-QFIPXVFZSA-N 2 2 392.547 3.520 20 0 GHADLP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000558164757 931867371 /nfs/dbraw/zinc/86/73/71/931867371.db2.gz GCOQMEMUONMDLC-QHCPKHFHSA-N 2 2 394.494 3.825 20 0 GHADLP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1COCc2cccc(Cl)c21 ZINC000926124100 932057184 /nfs/dbraw/zinc/05/71/84/932057184.db2.gz GCYWGYKJHJUHFQ-FPOVZHCZSA-N 2 2 386.923 3.658 20 0 GHADLP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1COCc2cccc(Cl)c21 ZINC000926124100 932057198 /nfs/dbraw/zinc/05/71/98/932057198.db2.gz GCYWGYKJHJUHFQ-FPOVZHCZSA-N 2 2 386.923 3.658 20 0 GHADLP Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2ccccn2)cc1 ZINC000926127265 932057597 /nfs/dbraw/zinc/05/75/97/932057597.db2.gz USADXWRVKDQXGY-ILBGXUMGSA-N 2 2 387.527 3.836 20 0 GHADLP Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccccn2)cc1 ZINC000926127265 932057607 /nfs/dbraw/zinc/05/76/07/932057607.db2.gz USADXWRVKDQXGY-ILBGXUMGSA-N 2 2 387.527 3.836 20 0 GHADLP COCCCOc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000797014550 932144922 /nfs/dbraw/zinc/14/49/22/932144922.db2.gz AKMQAGOCFNNVLV-UHFFFAOYSA-N 2 2 397.563 3.927 20 0 GHADLP C[N@@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2)Cc2cccnc2)[C@@H]1c1cccnc1 ZINC000926580276 932233766 /nfs/dbraw/zinc/23/37/66/932233766.db2.gz NWMIDLPWWUGQOL-GVAUOCQISA-N 2 2 386.543 3.913 20 0 GHADLP C[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2)Cc2cccnc2)[C@@H]1c1cccnc1 ZINC000926580276 932233771 /nfs/dbraw/zinc/23/37/71/932233771.db2.gz NWMIDLPWWUGQOL-GVAUOCQISA-N 2 2 386.543 3.913 20 0 GHADLP CN(C(=O)N[C@@H]1CC2CCC1CC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000559158314 932471894 /nfs/dbraw/zinc/47/18/94/932471894.db2.gz ZFIBADPXANQYIH-UPJCBYLFSA-N 2 2 390.616 3.544 20 0 GHADLP CN(C(=O)N[C@@H]1CC2CCC1CC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000559158314 932471896 /nfs/dbraw/zinc/47/18/96/932471896.db2.gz ZFIBADPXANQYIH-UPJCBYLFSA-N 2 2 390.616 3.544 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000798273346 932586630 /nfs/dbraw/zinc/58/66/30/932586630.db2.gz WIPQZSGHOFHMPJ-HNNXBMFYSA-N 2 2 393.494 3.640 20 0 GHADLP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1=O ZINC000559342257 932613616 /nfs/dbraw/zinc/61/36/16/932613616.db2.gz LNRMJGOXSOYABW-QRWLVFNGSA-N 2 2 398.507 3.915 20 0 GHADLP Cc1cnc(C2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)s1 ZINC000560192070 933120816 /nfs/dbraw/zinc/12/08/16/933120816.db2.gz KIWWPCXHHXVYHW-NRFANRHFSA-N 2 2 385.577 3.922 20 0 GHADLP Cc1cnc(C2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)s1 ZINC000560192070 933120819 /nfs/dbraw/zinc/12/08/19/933120819.db2.gz KIWWPCXHHXVYHW-NRFANRHFSA-N 2 2 385.577 3.922 20 0 GHADLP Fc1cccc(OC(F)(F)F)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000560256635 933163481 /nfs/dbraw/zinc/16/34/81/933163481.db2.gz GZOQYPLJPFFJQW-UHFFFAOYSA-N 2 2 390.421 3.659 20 0 GHADLP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001116401926 933537139 /nfs/dbraw/zinc/53/71/39/933537139.db2.gz UBNBUGKVJYVAQG-CABCVRRESA-N 2 2 394.441 3.721 20 0 GHADLP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001116401926 933537147 /nfs/dbraw/zinc/53/71/47/933537147.db2.gz UBNBUGKVJYVAQG-CABCVRRESA-N 2 2 394.441 3.721 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N[C@@H](C)c3cccs3)C2)s1 ZINC000561944816 934576510 /nfs/dbraw/zinc/57/65/10/934576510.db2.gz DNKDXCUGAAQPKF-IRXDYDNUSA-N 2 2 391.606 3.749 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N[C@@H](C)c3cccs3)C2)s1 ZINC000561944816 934576516 /nfs/dbraw/zinc/57/65/16/934576516.db2.gz DNKDXCUGAAQPKF-IRXDYDNUSA-N 2 2 391.606 3.749 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N[C@@H](C)c3cccs3)C2)s1 ZINC000561944816 934576519 /nfs/dbraw/zinc/57/65/19/934576519.db2.gz DNKDXCUGAAQPKF-IRXDYDNUSA-N 2 2 391.606 3.749 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N[C@@H](C)c3cccs3)C2)s1 ZINC000561944816 934576524 /nfs/dbraw/zinc/57/65/24/934576524.db2.gz DNKDXCUGAAQPKF-IRXDYDNUSA-N 2 2 391.606 3.749 20 0 GHADLP CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001121706436 934744137 /nfs/dbraw/zinc/74/41/37/934744137.db2.gz HBMRMGKLQXJJEQ-IBGZPJMESA-N 2 2 398.599 3.802 20 0 GHADLP CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001121706436 934744138 /nfs/dbraw/zinc/74/41/38/934744138.db2.gz HBMRMGKLQXJJEQ-IBGZPJMESA-N 2 2 398.599 3.802 20 0 GHADLP C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)C[N@@H+]2C1 ZINC001123677166 935251044 /nfs/dbraw/zinc/25/10/44/935251044.db2.gz GDSZAFNBZTZWBS-NEWSRXKRSA-N 2 2 376.504 3.661 20 0 GHADLP C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)C[N@H+]2C1 ZINC001123677166 935251050 /nfs/dbraw/zinc/25/10/50/935251050.db2.gz GDSZAFNBZTZWBS-NEWSRXKRSA-N 2 2 376.504 3.661 20 0 GHADLP Fc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)ccc1Cl ZINC001137651026 935671093 /nfs/dbraw/zinc/67/10/93/935671093.db2.gz SKSVSRKEQURCTR-UHFFFAOYSA-N 2 2 378.875 3.939 20 0 GHADLP Fc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)ccc1Cl ZINC001137651026 935671094 /nfs/dbraw/zinc/67/10/94/935671094.db2.gz SKSVSRKEQURCTR-UHFFFAOYSA-N 2 2 378.875 3.939 20 0 GHADLP Fc1cc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc(C(F)(F)F)c1 ZINC001137861625 935831423 /nfs/dbraw/zinc/83/14/23/935831423.db2.gz PPAZPOXWIQYZEV-UHFFFAOYSA-N 2 2 396.432 3.695 20 0 GHADLP Fc1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc(C(F)(F)F)c1 ZINC001137861625 935831425 /nfs/dbraw/zinc/83/14/25/935831425.db2.gz PPAZPOXWIQYZEV-UHFFFAOYSA-N 2 2 396.432 3.695 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)c(F)cc1F)CC2 ZINC001137888219 935847682 /nfs/dbraw/zinc/84/76/82/935847682.db2.gz OMAVWOXWYLWPHJ-MRXNPFEDSA-N 2 2 394.437 3.952 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)c(F)cc1F)CC2 ZINC001137888219 935847686 /nfs/dbraw/zinc/84/76/86/935847686.db2.gz OMAVWOXWYLWPHJ-MRXNPFEDSA-N 2 2 394.437 3.952 20 0 GHADLP Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001460976877 1069310244 /nfs/dbraw/zinc/31/02/44/1069310244.db2.gz VFWMPAQKOOAYFD-CTNGQTDRSA-N 2 2 396.579 3.873 20 0 GHADLP Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001460976877 1069310254 /nfs/dbraw/zinc/31/02/54/1069310254.db2.gz VFWMPAQKOOAYFD-CTNGQTDRSA-N 2 2 396.579 3.873 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000468559748 1015803884 /nfs/dbraw/zinc/80/38/84/1015803884.db2.gz JUBCUKLLQOXPNE-OXJNMPFZSA-N 2 2 388.353 3.887 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000468559748 1015803896 /nfs/dbraw/zinc/80/38/96/1015803896.db2.gz JUBCUKLLQOXPNE-OXJNMPFZSA-N 2 2 388.353 3.887 20 0 GHADLP C[C@@]1([NH3+])C[C@H](NC(=O)CC2=C(c3ccccc3)[NH2+]C(c3ccccc3)S2)C1 ZINC001221238633 1032344372 /nfs/dbraw/zinc/34/43/72/1032344372.db2.gz AUBUYEPJLHFJPE-LMTLIKQPSA-N 2 2 378.521 3.615 20 0 GHADLP O=C(Nc1cccc(Cl)c1)c1ccc(-n2c[nH+]cc2C2CC[NH2+]CC2)nc1 ZINC001155063490 1032399253 /nfs/dbraw/zinc/39/92/53/1032399253.db2.gz DJWUECQJKULBBZ-UHFFFAOYSA-N 2 2 381.867 3.640 20 0 GHADLP CCOC(=O)c1c(Cl)c2ccccc2nc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155064315 1032399316 /nfs/dbraw/zinc/39/93/16/1032399316.db2.gz NRXXGYVGWDOZIM-UHFFFAOYSA-N 2 2 384.867 3.718 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@H](C[NH3+])c1cccc(OC)c1)c1ccccc1Cl ZINC001221403287 1032400164 /nfs/dbraw/zinc/40/01/64/1032400164.db2.gz AZTGEBAVWAWXJG-UXHICEINSA-N 2 2 389.927 3.548 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H](CNc3cccc(C4CC4)[nH+]3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155361747 1032519343 /nfs/dbraw/zinc/51/93/43/1032519343.db2.gz NEGXXELDKQHTTJ-OAQYLSRUSA-N 3 2 376.548 3.873 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H](CNc3cccc(C4CC4)[nH+]3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155361747 1032519353 /nfs/dbraw/zinc/51/93/53/1032519353.db2.gz NEGXXELDKQHTTJ-OAQYLSRUSA-N 3 2 376.548 3.873 20 0 GHADLP c1cc(N2CCCCC2)nc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)[nH+]1 ZINC001155640549 1032615751 /nfs/dbraw/zinc/61/57/51/1032615751.db2.gz FLQMGLSBVVVPQU-ZZLPTCMGSA-N 2 2 393.579 3.866 20 0 GHADLP c1cc(N2CCCCC2)nc(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)[nH+]1 ZINC001155640549 1032615759 /nfs/dbraw/zinc/61/57/59/1032615759.db2.gz FLQMGLSBVVVPQU-ZZLPTCMGSA-N 2 2 393.579 3.866 20 0 GHADLP Fc1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1F ZINC001204194395 1032648688 /nfs/dbraw/zinc/64/86/88/1032648688.db2.gz AXOJIEHGHPXKRW-UHFFFAOYSA-N 2 2 378.488 3.893 20 0 GHADLP Fc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1F ZINC001204194395 1032648694 /nfs/dbraw/zinc/64/86/94/1032648694.db2.gz AXOJIEHGHPXKRW-UHFFFAOYSA-N 2 2 378.488 3.893 20 0 GHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000558566558 1017230078 /nfs/dbraw/zinc/23/00/78/1017230078.db2.gz PWUOANPXUDGLKZ-SJLPKXTDSA-N 2 2 384.467 3.740 20 0 GHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000558566558 1017230080 /nfs/dbraw/zinc/23/00/80/1017230080.db2.gz PWUOANPXUDGLKZ-SJLPKXTDSA-N 2 2 384.467 3.740 20 0 GHADLP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n(C)n1 ZINC000926329347 1017251154 /nfs/dbraw/zinc/25/11/54/1017251154.db2.gz DHVXIVJBBILKNO-CRBUXINTSA-N 2 2 398.517 3.835 20 0 GHADLP COc1cccc(OC)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001204252321 1032694329 /nfs/dbraw/zinc/69/43/29/1032694329.db2.gz XSVINKQPJHIWMH-VCOUNFBDSA-N 2 2 395.547 3.831 20 0 GHADLP COc1cccc(OC)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001204252321 1032694340 /nfs/dbraw/zinc/69/43/40/1032694340.db2.gz XSVINKQPJHIWMH-VCOUNFBDSA-N 2 2 395.547 3.831 20 0 GHADLP COc1cccc(OC)c1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001204252321 1032694353 /nfs/dbraw/zinc/69/43/53/1032694353.db2.gz XSVINKQPJHIWMH-VCOUNFBDSA-N 2 2 395.547 3.831 20 0 GHADLP COc1cccc(OC)c1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001204252321 1032694367 /nfs/dbraw/zinc/69/43/67/1032694367.db2.gz XSVINKQPJHIWMH-VCOUNFBDSA-N 2 2 395.547 3.831 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1-n1cccn1 ZINC000560162479 1017563504 /nfs/dbraw/zinc/56/35/04/1017563504.db2.gz BSHHULSGPLWGTQ-IFMALSPDSA-N 2 2 390.531 3.814 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1-n1cccn1 ZINC000560162479 1017563515 /nfs/dbraw/zinc/56/35/15/1017563515.db2.gz BSHHULSGPLWGTQ-IFMALSPDSA-N 2 2 390.531 3.814 20 0 GHADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000562064467 1018025011 /nfs/dbraw/zinc/02/50/11/1018025011.db2.gz LOOJRAFXVGMCMG-FDDCHVKYSA-N 2 2 375.520 3.829 20 0 GHADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000562064467 1018025027 /nfs/dbraw/zinc/02/50/27/1018025027.db2.gz LOOJRAFXVGMCMG-FDDCHVKYSA-N 2 2 375.520 3.829 20 0 GHADLP OCC1([NH2+]CC2CC2)CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000565052504 1019144345 /nfs/dbraw/zinc/14/43/45/1019144345.db2.gz ZGGXTQAXHSXXNG-UHFFFAOYSA-N 2 2 380.532 3.592 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1)C1CC1 ZINC000569719470 1019504775 /nfs/dbraw/zinc/50/47/75/1019504775.db2.gz IDKQUUIXBMVZAE-UHFFFAOYSA-N 2 2 375.476 3.563 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1)C1CC1 ZINC000569719470 1019504781 /nfs/dbraw/zinc/50/47/81/1019504781.db2.gz IDKQUUIXBMVZAE-UHFFFAOYSA-N 2 2 375.476 3.563 20 0 GHADLP Cc1[nH+]ccn1CCNc1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001156010021 1032839485 /nfs/dbraw/zinc/83/94/85/1032839485.db2.gz FRHQAXNCVXGCPT-UHFFFAOYSA-N 2 2 396.564 3.783 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001204446038 1032886342 /nfs/dbraw/zinc/88/63/42/1032886342.db2.gz CGGFWOMNYQBYQF-XMMPIXPASA-N 2 2 396.579 3.812 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001204446038 1032886359 /nfs/dbraw/zinc/88/63/59/1032886359.db2.gz CGGFWOMNYQBYQF-XMMPIXPASA-N 2 2 396.579 3.812 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001204446038 1032886375 /nfs/dbraw/zinc/88/63/75/1032886375.db2.gz CGGFWOMNYQBYQF-XMMPIXPASA-N 2 2 396.579 3.812 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001204446038 1032886389 /nfs/dbraw/zinc/88/63/89/1032886389.db2.gz CGGFWOMNYQBYQF-XMMPIXPASA-N 2 2 396.579 3.812 20 0 GHADLP COc1ccccc1N1CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000631039277 1020851334 /nfs/dbraw/zinc/85/13/34/1020851334.db2.gz GZDIJVZJQXOUCI-UHFFFAOYSA-N 2 2 376.504 3.699 20 0 GHADLP c1ccc(CC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccn2)cc1 ZINC000631584087 1020892249 /nfs/dbraw/zinc/89/22/49/1020892249.db2.gz WRLJPEYECJNHPU-LADGPHEKSA-N 2 2 379.548 3.989 20 0 GHADLP CC(C)(C)C[C@@H](NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000647814729 1021150550 /nfs/dbraw/zinc/15/05/50/1021150550.db2.gz BPHHBERDDWUTCZ-HXUWFJFHSA-N 2 2 375.532 3.636 20 0 GHADLP CC(C)(C)C[C@@H](NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000647814729 1021150551 /nfs/dbraw/zinc/15/05/51/1021150551.db2.gz BPHHBERDDWUTCZ-HXUWFJFHSA-N 2 2 375.532 3.636 20 0 GHADLP CCOc1ccc2[nH]cc(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c2c1 ZINC001140268688 1021290114 /nfs/dbraw/zinc/29/01/14/1021290114.db2.gz DBTUVICYHHFSEB-KDURUIRLSA-N 2 2 376.504 3.525 20 0 GHADLP CCOc1ccc2[nH]cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c2c1 ZINC001140268688 1021290125 /nfs/dbraw/zinc/29/01/25/1021290125.db2.gz DBTUVICYHHFSEB-KDURUIRLSA-N 2 2 376.504 3.525 20 0 GHADLP CCOc1ccc2[nH]cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)c2c1 ZINC001140268688 1021290134 /nfs/dbraw/zinc/29/01/34/1021290134.db2.gz DBTUVICYHHFSEB-KDURUIRLSA-N 2 2 376.504 3.525 20 0 GHADLP CCOc1ccc2[nH]cc(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)c2c1 ZINC001140268688 1021290145 /nfs/dbraw/zinc/29/01/45/1021290145.db2.gz DBTUVICYHHFSEB-KDURUIRLSA-N 2 2 376.504 3.525 20 0 GHADLP CCOc1ccc2[nH]cc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001140269167 1021291436 /nfs/dbraw/zinc/29/14/36/1021291436.db2.gz MNYKPILBURZDOO-PMACEKPBSA-N 2 2 376.504 3.525 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1nc(Br)cs1 ZINC000834733379 1021419402 /nfs/dbraw/zinc/41/94/02/1021419402.db2.gz GTDMQOOHRTVDMT-WCQYABFASA-N 2 2 396.358 3.614 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccccn4)cc3)CC2)C1 ZINC001140382709 1021533214 /nfs/dbraw/zinc/53/32/14/1021533214.db2.gz YHQRJTSUBBRKGB-NRFANRHFSA-N 2 2 393.531 3.598 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(-c4ccccn4)cc3)CC2)C1 ZINC001140382709 1021533224 /nfs/dbraw/zinc/53/32/24/1021533224.db2.gz YHQRJTSUBBRKGB-NRFANRHFSA-N 2 2 393.531 3.598 20 0 GHADLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902790959 1021540700 /nfs/dbraw/zinc/54/07/00/1021540700.db2.gz SYHLWACMZSYXRA-HYBUGGRVSA-N 3 2 389.547 3.512 20 0 GHADLP C(C[NH+]1CCOCC1)N1CCC([NH2+]C(C2CCCCC2)C2CCCCC2)CC1 ZINC000834914543 1021676159 /nfs/dbraw/zinc/67/61/59/1021676159.db2.gz NMEODXIOLDTEQE-UHFFFAOYSA-N 2 2 391.644 3.902 20 0 GHADLP C(C[NH+]1CCC([NH2+]C(C2CCCCC2)C2CCCCC2)CC1)N1CCOCC1 ZINC000834914543 1021676165 /nfs/dbraw/zinc/67/61/65/1021676165.db2.gz NMEODXIOLDTEQE-UHFFFAOYSA-N 2 2 391.644 3.902 20 0 GHADLP CC(C)C(NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000677280743 1021812502 /nfs/dbraw/zinc/81/25/02/1021812502.db2.gz APECQMAYJFSSEO-PMACEKPBSA-N 2 2 380.621 3.646 20 0 GHADLP CC(C)C(NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000677280743 1021812524 /nfs/dbraw/zinc/81/25/24/1021812524.db2.gz APECQMAYJFSSEO-PMACEKPBSA-N 2 2 380.621 3.646 20 0 GHADLP CN(C(=O)c1cc2ccsc2[nH]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677291114 1021815138 /nfs/dbraw/zinc/81/51/38/1021815138.db2.gz UJSDZXBYJKFGAC-MOPGFXCFSA-N 2 2 388.581 3.639 20 0 GHADLP CN(C(=O)c1cc2ccsc2[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677291114 1021815154 /nfs/dbraw/zinc/81/51/54/1021815154.db2.gz UJSDZXBYJKFGAC-MOPGFXCFSA-N 2 2 388.581 3.639 20 0 GHADLP CC(C)NC(=O)c1ccc(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC001140616086 1022077947 /nfs/dbraw/zinc/07/79/47/1022077947.db2.gz RULPTZOREOFJDC-UHFFFAOYSA-N 2 2 379.548 3.921 20 0 GHADLP CC(C)NC(=O)c1ccc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC001140616086 1022077955 /nfs/dbraw/zinc/07/79/55/1022077955.db2.gz RULPTZOREOFJDC-UHFFFAOYSA-N 2 2 379.548 3.921 20 0 GHADLP CCCCC1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000681212759 1022268138 /nfs/dbraw/zinc/26/81/38/1022268138.db2.gz ZPZACRCTDRBMGT-GZNCHQMQSA-N 2 2 378.605 3.545 20 0 GHADLP CCCCC1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000681212759 1022268147 /nfs/dbraw/zinc/26/81/47/1022268147.db2.gz ZPZACRCTDRBMGT-GZNCHQMQSA-N 2 2 378.605 3.545 20 0 GHADLP C[C@@H]1CN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001140896735 1022826735 /nfs/dbraw/zinc/82/67/35/1022826735.db2.gz YTOZWIXBVZUYNN-PGRDOPGGSA-N 2 2 399.966 3.923 20 0 GHADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(-c3ccc(Cl)cc3)c2)CC1 ZINC001204796223 1033093022 /nfs/dbraw/zinc/09/30/22/1033093022.db2.gz MRXSBBBBHFZEFC-JOCHJYFZSA-N 2 2 397.950 3.745 20 0 GHADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(-c3ccc(Cl)cc3)c2)CC1 ZINC001204796223 1033093036 /nfs/dbraw/zinc/09/30/36/1033093036.db2.gz MRXSBBBBHFZEFC-JOCHJYFZSA-N 2 2 397.950 3.745 20 0 GHADLP C[N@H+](Cc1ccccc1N1CC[NH+](C)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001140969960 1023034096 /nfs/dbraw/zinc/03/40/96/1023034096.db2.gz AWKYTAOKNKLLGV-UHFFFAOYSA-N 3 2 392.591 3.535 20 0 GHADLP CCC[C@H](C(=O)c1ccccc1)[N@H+](C)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140974781 1023054791 /nfs/dbraw/zinc/05/47/91/1023054791.db2.gz KQDIHKUOIVKISM-HSZRJFAPSA-N 2 2 379.548 3.922 20 0 GHADLP CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140974781 1023054793 /nfs/dbraw/zinc/05/47/93/1023054793.db2.gz KQDIHKUOIVKISM-HSZRJFAPSA-N 2 2 379.548 3.922 20 0 GHADLP FC(F)Oc1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC001204822078 1033107112 /nfs/dbraw/zinc/10/71/12/1033107112.db2.gz CSWCGOCMXGMKOT-UHFFFAOYSA-N 2 2 392.446 3.748 20 0 GHADLP FC(F)Oc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC001204822078 1033107120 /nfs/dbraw/zinc/10/71/20/1033107120.db2.gz CSWCGOCMXGMKOT-UHFFFAOYSA-N 2 2 392.446 3.748 20 0 GHADLP Fc1ccc(-c2cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)ccn2)cc1 ZINC001141117702 1023538183 /nfs/dbraw/zinc/53/81/83/1023538183.db2.gz UAHQDSNVCFMBRT-NHCUHLMSSA-N 2 2 388.490 3.847 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001204884920 1033145360 /nfs/dbraw/zinc/14/53/60/1033145360.db2.gz DYTFXTYOCQFVPP-VMPITWQZSA-N 2 2 396.604 3.750 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc4c3cnn4[C@H]3CCCCO3)c2)C1 ZINC001204897243 1033152492 /nfs/dbraw/zinc/15/24/92/1033152492.db2.gz JAORDDJXTFDWFF-WMZHIEFXSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc4c3cnn4[C@H]3CCCCO3)c2)C1 ZINC001204897243 1033152499 /nfs/dbraw/zinc/15/24/99/1033152499.db2.gz JAORDDJXTFDWFF-WMZHIEFXSA-N 2 2 376.504 3.935 20 0 GHADLP C[N@@H+]1CCc2cc(O[C@H]3CCC[NH+](Cc4cnc(Cl)s4)C3)ccc2C1 ZINC001228944950 1033193142 /nfs/dbraw/zinc/19/31/42/1033193142.db2.gz QFJFRCMNLMRYBD-KRWDZBQOSA-N 2 2 377.941 3.828 20 0 GHADLP C[N@H+]1CCc2cc(O[C@H]3CCC[NH+](Cc4cnc(Cl)s4)C3)ccc2C1 ZINC001228944950 1033193146 /nfs/dbraw/zinc/19/31/46/1033193146.db2.gz QFJFRCMNLMRYBD-KRWDZBQOSA-N 2 2 377.941 3.828 20 0 GHADLP C[NH+]1CCc2cc(O[C@H]3CCC[N@@H+](Cc4cnc(Cl)s4)C3)ccc2C1 ZINC001228944950 1033193166 /nfs/dbraw/zinc/19/31/66/1033193166.db2.gz QFJFRCMNLMRYBD-KRWDZBQOSA-N 2 2 377.941 3.828 20 0 GHADLP C[C@H](NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001138141301 1024217785 /nfs/dbraw/zinc/21/77/85/1024217785.db2.gz BYFDHJREWPPECG-LWYYNNOASA-N 2 2 384.568 3.822 20 0 GHADLP C[C@H](NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001138141301 1024217801 /nfs/dbraw/zinc/21/78/01/1024217801.db2.gz BYFDHJREWPPECG-LWYYNNOASA-N 2 2 384.568 3.822 20 0 GHADLP CC[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141243570 1024251700 /nfs/dbraw/zinc/25/17/00/1024251700.db2.gz MZZHEWPQAMYFNN-IBGZPJMESA-N 2 2 384.524 3.951 20 0 GHADLP CC[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141243570 1024251721 /nfs/dbraw/zinc/25/17/21/1024251721.db2.gz MZZHEWPQAMYFNN-IBGZPJMESA-N 2 2 384.524 3.951 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(N4CCCCC4)o3)C2)C1 ZINC001138173596 1024297985 /nfs/dbraw/zinc/29/79/85/1024297985.db2.gz RMGJHIPHAJNULK-QFIPXVFZSA-N 2 2 375.557 3.593 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(N4CCCCC4)o3)C2)C1 ZINC001138173596 1024298003 /nfs/dbraw/zinc/29/80/03/1024298003.db2.gz RMGJHIPHAJNULK-QFIPXVFZSA-N 2 2 375.557 3.593 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(N4CCCCC4)o3)C2)C1 ZINC001138173596 1024298014 /nfs/dbraw/zinc/29/80/14/1024298014.db2.gz RMGJHIPHAJNULK-QFIPXVFZSA-N 2 2 375.557 3.593 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(N4CCCCC4)o3)C2)C1 ZINC001138173596 1024298023 /nfs/dbraw/zinc/29/80/23/1024298023.db2.gz RMGJHIPHAJNULK-QFIPXVFZSA-N 2 2 375.557 3.593 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(-c2cc(C(F)(F)F)nn2C)s1 ZINC001138276295 1024527825 /nfs/dbraw/zinc/52/78/25/1024527825.db2.gz DAXRSBMVYLVECR-UHFFFAOYSA-N 2 2 383.443 3.886 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(-c2cc(C(F)(F)F)nn2C)s1 ZINC001138276295 1024527835 /nfs/dbraw/zinc/52/78/35/1024527835.db2.gz DAXRSBMVYLVECR-UHFFFAOYSA-N 2 2 383.443 3.886 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831509424 1024606913 /nfs/dbraw/zinc/60/69/13/1024606913.db2.gz DGJUPBKJJVSMHB-OALUTQOASA-N 2 2 375.875 3.503 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831509424 1024606920 /nfs/dbraw/zinc/60/69/20/1024606920.db2.gz DGJUPBKJJVSMHB-OALUTQOASA-N 2 2 375.875 3.503 20 0 GHADLP Cc1c2cc(F)ccc2[nH]c1C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001138410817 1024794504 /nfs/dbraw/zinc/79/45/04/1024794504.db2.gz CGIZTHROZQERMW-UHFFFAOYSA-N 2 2 395.526 3.980 20 0 GHADLP Cc1c2cc(F)ccc2[nH]c1C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001138410817 1024794517 /nfs/dbraw/zinc/79/45/17/1024794517.db2.gz CGIZTHROZQERMW-UHFFFAOYSA-N 2 2 395.526 3.980 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)cc1 ZINC001138448768 1024868996 /nfs/dbraw/zinc/86/89/96/1024868996.db2.gz PYBRHSAYZLCNRZ-HSZRJFAPSA-N 2 2 382.552 3.708 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)cc1 ZINC001138448768 1024869016 /nfs/dbraw/zinc/86/90/16/1024869016.db2.gz PYBRHSAYZLCNRZ-HSZRJFAPSA-N 2 2 382.552 3.708 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001138448768 1024869044 /nfs/dbraw/zinc/86/90/44/1024869044.db2.gz PYBRHSAYZLCNRZ-HSZRJFAPSA-N 2 2 382.552 3.708 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001138448768 1024869062 /nfs/dbraw/zinc/86/90/62/1024869062.db2.gz PYBRHSAYZLCNRZ-HSZRJFAPSA-N 2 2 382.552 3.708 20 0 GHADLP CCCc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)s1 ZINC001138526008 1024965680 /nfs/dbraw/zinc/96/56/80/1024965680.db2.gz NSSUQTSLZXIJOI-UHFFFAOYSA-N 2 2 378.582 3.940 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC001138544485 1024988626 /nfs/dbraw/zinc/98/86/26/1024988626.db2.gz JKQGJRFSRBNIEN-BGYRXZFFSA-N 2 2 382.508 3.764 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC001138544485 1024988628 /nfs/dbraw/zinc/98/86/28/1024988628.db2.gz JKQGJRFSRBNIEN-BGYRXZFFSA-N 2 2 382.508 3.764 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCn3cnc(COCC4CC4)c3C2)cc1 ZINC001138548881 1024995493 /nfs/dbraw/zinc/99/54/93/1024995493.db2.gz JDPOPEAPPPHUGM-UHFFFAOYSA-N 2 2 391.519 3.710 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCn3cnc(COCC4CC4)c3C2)cc1 ZINC001138548881 1024995500 /nfs/dbraw/zinc/99/55/00/1024995500.db2.gz JDPOPEAPPPHUGM-UHFFFAOYSA-N 2 2 391.519 3.710 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)cc1 ZINC001138549783 1024996893 /nfs/dbraw/zinc/99/68/93/1024996893.db2.gz VPWXPYZKODNSNF-UHFFFAOYSA-N 2 2 386.503 3.633 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCn3cnc(Cn4cccc4)c3C2)cc1 ZINC001138549783 1024996899 /nfs/dbraw/zinc/99/68/99/1024996899.db2.gz VPWXPYZKODNSNF-UHFFFAOYSA-N 2 2 386.503 3.633 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4N4CCCCC4)C[C@H]3C2)nc1 ZINC001138606366 1025092937 /nfs/dbraw/zinc/09/29/37/1025092937.db2.gz PYKFMQYXISDQOA-VXKWHMMOSA-N 2 2 376.548 3.636 20 0 GHADLP c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001138767807 1025336958 /nfs/dbraw/zinc/33/69/58/1025336958.db2.gz QOWPXTYYSVKJAR-JWQCQUIFSA-N 2 2 386.543 3.885 20 0 GHADLP c1nn(Cc2ccccc2)cc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001138767807 1025336976 /nfs/dbraw/zinc/33/69/76/1025336976.db2.gz QOWPXTYYSVKJAR-JWQCQUIFSA-N 2 2 386.543 3.885 20 0 GHADLP c1nn(Cc2ccccc2)cc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001138767807 1025336990 /nfs/dbraw/zinc/33/69/90/1025336990.db2.gz QOWPXTYYSVKJAR-JWQCQUIFSA-N 2 2 386.543 3.885 20 0 GHADLP c1nn(Cc2ccccc2)cc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001138767807 1025337006 /nfs/dbraw/zinc/33/70/06/1025337006.db2.gz QOWPXTYYSVKJAR-JWQCQUIFSA-N 2 2 386.543 3.885 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCc3c(Br)cccc3C2)cc1 ZINC001138773199 1025343824 /nfs/dbraw/zinc/34/38/24/1025343824.db2.gz VVFDSJYPOMPFSZ-UHFFFAOYSA-N 2 2 389.337 3.948 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCc3c(Br)cccc3C2)cc1 ZINC001138773199 1025343837 /nfs/dbraw/zinc/34/38/37/1025343837.db2.gz VVFDSJYPOMPFSZ-UHFFFAOYSA-N 2 2 389.337 3.948 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)C[C@H](C)O1 ZINC001461014248 1069335955 /nfs/dbraw/zinc/33/59/55/1069335955.db2.gz SCFYCRUBJFQRKR-KDURUIRLSA-N 2 2 386.511 3.994 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)C[C@H](C)O1 ZINC001461014248 1069335971 /nfs/dbraw/zinc/33/59/71/1069335971.db2.gz SCFYCRUBJFQRKR-KDURUIRLSA-N 2 2 386.511 3.994 20 0 GHADLP COc1ccc(OC)c2c1C[N@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C[C@@H]2O ZINC000839464130 1025953555 /nfs/dbraw/zinc/95/35/55/1025953555.db2.gz HCYKRFQASXRAEI-NRFANRHFSA-N 2 2 396.531 3.739 20 0 GHADLP COc1ccc(OC)c2c1C[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C[C@@H]2O ZINC000839464130 1025953557 /nfs/dbraw/zinc/95/35/57/1025953557.db2.gz HCYKRFQASXRAEI-NRFANRHFSA-N 2 2 396.531 3.739 20 0 GHADLP Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ccc1[NH+](C)C ZINC001162941215 1025977723 /nfs/dbraw/zinc/97/77/23/1025977723.db2.gz RRTMZCVUJVADHH-QFIPXVFZSA-N 3 2 392.591 3.975 20 0 GHADLP Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ccc1[NH+](C)C ZINC001162941215 1025977730 /nfs/dbraw/zinc/97/77/30/1025977730.db2.gz RRTMZCVUJVADHH-QFIPXVFZSA-N 3 2 392.591 3.975 20 0 GHADLP Cc1ccc2c(c1)[C@@H](Nc1cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c1)CC21CC[NH2+]CC1 ZINC001163037150 1026020321 /nfs/dbraw/zinc/02/03/21/1026020321.db2.gz MXZJHSADBZCNSN-YKSBVNFPSA-N 3 2 390.575 3.706 20 0 GHADLP Cc1ccc2c(c1)[C@@H](Nc1cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c1)CC21CC[NH2+]CC1 ZINC001163037150 1026020343 /nfs/dbraw/zinc/02/03/43/1026020343.db2.gz MXZJHSADBZCNSN-YKSBVNFPSA-N 3 2 390.575 3.706 20 0 GHADLP FC(F)(F)Oc1ccc(-c2cc[nH+]c(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC001163313672 1026139396 /nfs/dbraw/zinc/13/93/96/1026139396.db2.gz YGRFZIFSDWQVNZ-LPHOPBHVSA-N 2 2 393.409 3.970 20 0 GHADLP C[NH+]1CCN(c2cccc(N[C@@H](c3cccnc3C(F)(F)F)C3CC3)[nH+]2)CC1 ZINC001163391168 1026175440 /nfs/dbraw/zinc/17/54/40/1026175440.db2.gz FEOLMXIXLIVEKR-GOSISDBHSA-N 2 2 391.441 3.810 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]3c3cccc(Cl)c3)s2)CC1 ZINC001139325699 1026185162 /nfs/dbraw/zinc/18/51/62/1026185162.db2.gz WTGYPWQCJKPDFM-SFHVURJKSA-N 2 2 376.957 3.885 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]3c3cccc(Cl)c3)s2)CC1 ZINC001139325699 1026185171 /nfs/dbraw/zinc/18/51/71/1026185171.db2.gz WTGYPWQCJKPDFM-SFHVURJKSA-N 2 2 376.957 3.885 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc4cc(O)ccc4c2)CC3)n1 ZINC001139337393 1026199978 /nfs/dbraw/zinc/19/99/78/1026199978.db2.gz CVPAQSYGQDXJBT-UHFFFAOYSA-N 2 2 390.531 3.910 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2ccc4cc(O)ccc4c2)CC3)n1 ZINC001139337393 1026199982 /nfs/dbraw/zinc/19/99/82/1026199982.db2.gz CVPAQSYGQDXJBT-UHFFFAOYSA-N 2 2 390.531 3.910 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139356707 1026227252 /nfs/dbraw/zinc/22/72/52/1026227252.db2.gz RIABWMQQDLLBOF-JOCHJYFZSA-N 2 2 382.508 3.848 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@]12CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139356707 1026227263 /nfs/dbraw/zinc/22/72/63/1026227263.db2.gz RIABWMQQDLLBOF-JOCHJYFZSA-N 2 2 382.508 3.848 20 0 GHADLP O=C1N(c2cccc(F)c2)CC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001139360221 1026232487 /nfs/dbraw/zinc/23/24/87/1026232487.db2.gz LYSZWABCHYFGAA-UHFFFAOYSA-N 2 2 390.462 3.640 20 0 GHADLP C[C@H]1CC(=O)CC[N@@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139512949 1026368208 /nfs/dbraw/zinc/36/82/08/1026368208.db2.gz MHKCTPHRJPWGAP-FQEVSTJZSA-N 2 2 377.532 3.562 20 0 GHADLP C[C@H]1CC(=O)CC[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139512949 1026368217 /nfs/dbraw/zinc/36/82/17/1026368217.db2.gz MHKCTPHRJPWGAP-FQEVSTJZSA-N 2 2 377.532 3.562 20 0 GHADLP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139515145 1026372244 /nfs/dbraw/zinc/37/22/44/1026372244.db2.gz GBYSMMAPNJNVGW-UHFFFAOYSA-N 3 2 394.607 3.782 20 0 GHADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139515145 1026372253 /nfs/dbraw/zinc/37/22/53/1026372253.db2.gz GBYSMMAPNJNVGW-UHFFFAOYSA-N 3 2 394.607 3.782 20 0 GHADLP C[NH+](C)C1(CNc2nc3ccccc3c(Oc3ccccc3)n2)CC[NH+](C)CC1 ZINC001164210273 1026453452 /nfs/dbraw/zinc/45/34/52/1026453452.db2.gz BHZTWONONGERQG-UHFFFAOYSA-N 2 2 391.519 3.860 20 0 GHADLP C[NH+](C)C1(CNc2ccc(-c3ccc4ccccc4c3)nn2)CC[NH+](C)CC1 ZINC001164211233 1026453541 /nfs/dbraw/zinc/45/35/41/1026453541.db2.gz ODOBCKVHHJXDGT-UHFFFAOYSA-N 2 2 375.520 3.735 20 0 GHADLP COc1cc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)ccc1Cl ZINC001139613890 1026477796 /nfs/dbraw/zinc/47/77/96/1026477796.db2.gz JZTHUWMCGXVSHH-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP COc1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)ccc1Cl ZINC001139613890 1026477819 /nfs/dbraw/zinc/47/78/19/1026477819.db2.gz JZTHUWMCGXVSHH-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cn4ccncc4n3)C[C@H]21 ZINC001139695863 1026544464 /nfs/dbraw/zinc/54/44/64/1026544464.db2.gz ZFNBUOFIRDCACD-NSISKUIASA-N 2 2 381.549 3.523 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cn4ccncc4n3)C[C@H]21 ZINC001139695863 1026544470 /nfs/dbraw/zinc/54/44/70/1026544470.db2.gz ZFNBUOFIRDCACD-NSISKUIASA-N 2 2 381.549 3.523 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cn4ccncc4n3)C[C@H]21 ZINC001139695863 1026544476 /nfs/dbraw/zinc/54/44/76/1026544476.db2.gz ZFNBUOFIRDCACD-NSISKUIASA-N 2 2 381.549 3.523 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cn4ccncc4n3)C[C@H]21 ZINC001139695863 1026544484 /nfs/dbraw/zinc/54/44/84/1026544484.db2.gz ZFNBUOFIRDCACD-NSISKUIASA-N 2 2 381.549 3.523 20 0 GHADLP COc1cc2cc[nH+]c(N3C[C@H]4[C@@H](CC[N@@H+]4Cc4ccccc4)C3)c2cc1OC ZINC001165081690 1026592293 /nfs/dbraw/zinc/59/22/93/1026592293.db2.gz BBMHKXBYMHJUNR-FPOVZHCZSA-N 2 2 389.499 3.963 20 0 GHADLP COc1cc2cc[nH+]c(N3C[C@H]4[C@@H](CC[N@H+]4Cc4ccccc4)C3)c2cc1OC ZINC001165081690 1026592299 /nfs/dbraw/zinc/59/22/99/1026592299.db2.gz BBMHKXBYMHJUNR-FPOVZHCZSA-N 2 2 389.499 3.963 20 0 GHADLP c1cn(Cc2nnn3c2C[N@H+](Cc2cccc4c5ccccc5oc42)CCC3)c[nH+]1 ZINC001139854771 1026670315 /nfs/dbraw/zinc/67/03/15/1026670315.db2.gz GBQVQHNNSRQKHJ-UHFFFAOYSA-N 2 2 398.470 3.828 20 0 GHADLP c1cn(Cc2nnn3c2C[N@@H+](Cc2cccc4c5ccccc5oc42)CCC3)c[nH+]1 ZINC001139854771 1026670320 /nfs/dbraw/zinc/67/03/20/1026670320.db2.gz GBQVQHNNSRQKHJ-UHFFFAOYSA-N 2 2 398.470 3.828 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001140025508 1026813354 /nfs/dbraw/zinc/81/33/54/1026813354.db2.gz BZOSUIBBGMDGEH-VQIMIIECSA-N 2 2 384.524 3.916 20 0 GHADLP COc1ccc2[nH+]c(N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)cc(C)c2c1 ZINC001165910827 1026866711 /nfs/dbraw/zinc/86/67/11/1026866711.db2.gz KYAOKMQHXOLZDI-UHFFFAOYSA-N 2 2 391.519 3.801 20 0 GHADLP c1nc2n(c1-c1cccnc1)CCN(c1cc3ccccc3c[nH+]1)C21CC[NH2+]CC1 ZINC001165912762 1026867554 /nfs/dbraw/zinc/86/75/54/1026867554.db2.gz ZEWOUYLKDBIHNW-UHFFFAOYSA-N 2 2 396.498 3.592 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1C(F)(F)F)C2 ZINC001203685771 1027529996 /nfs/dbraw/zinc/52/99/96/1027529996.db2.gz CPNHHRIMHTZFCX-QUCCMNQESA-N 2 2 382.470 3.886 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1C(F)(F)F)C2 ZINC001203685771 1027530006 /nfs/dbraw/zinc/53/00/06/1027530006.db2.gz CPNHHRIMHTZFCX-QUCCMNQESA-N 2 2 382.470 3.886 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1C(F)(F)F)C2 ZINC001203685771 1027530017 /nfs/dbraw/zinc/53/00/17/1027530017.db2.gz CPNHHRIMHTZFCX-QUCCMNQESA-N 2 2 382.470 3.886 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1C(F)(F)F)C2 ZINC001203685771 1027530026 /nfs/dbraw/zinc/53/00/26/1027530026.db2.gz CPNHHRIMHTZFCX-QUCCMNQESA-N 2 2 382.470 3.886 20 0 GHADLP Clc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1Cl ZINC001203802379 1027616440 /nfs/dbraw/zinc/61/64/40/1027616440.db2.gz IPZJNRBWWVUADW-UHFFFAOYSA-N 2 2 379.335 3.844 20 0 GHADLP COc1cc(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)ccc1O ZINC001204113239 1027884983 /nfs/dbraw/zinc/88/49/83/1027884983.db2.gz YDWHLTRCGJJJNB-UHFFFAOYSA-N 2 2 385.508 3.636 20 0 GHADLP COc1cc(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)ccc1O ZINC001204113239 1027885005 /nfs/dbraw/zinc/88/50/05/1027885005.db2.gz YDWHLTRCGJJJNB-UHFFFAOYSA-N 2 2 385.508 3.636 20 0 GHADLP CSc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)s1 ZINC001142022642 1027906197 /nfs/dbraw/zinc/90/61/97/1027906197.db2.gz FFXRXIBOQOYGGZ-UHFFFAOYSA-N 2 2 376.595 3.711 20 0 GHADLP CSc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)s1 ZINC001142022642 1027906202 /nfs/dbraw/zinc/90/62/02/1027906202.db2.gz FFXRXIBOQOYGGZ-UHFFFAOYSA-N 2 2 376.595 3.711 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCN(c4ccc(F)cc4)C3)CC2)cc1 ZINC000840896047 1027930101 /nfs/dbraw/zinc/93/01/01/1027930101.db2.gz CCVCBMWLFYIRPZ-FQEVSTJZSA-N 2 2 382.527 3.729 20 0 GHADLP CN(C(=O)OCCc1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001211394699 1027940133 /nfs/dbraw/zinc/94/01/33/1027940133.db2.gz RZRVTBFZQFKAJH-FGZHOGPDSA-N 2 2 387.568 3.635 20 0 GHADLP CN(C(=O)OCCc1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001211394699 1027940137 /nfs/dbraw/zinc/94/01/37/1027940137.db2.gz RZRVTBFZQFKAJH-FGZHOGPDSA-N 2 2 387.568 3.635 20 0 GHADLP COc1cc(Cl)c(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1OC ZINC001461356574 1069516672 /nfs/dbraw/zinc/51/66/72/1069516672.db2.gz GRKZQPQFYFXVQQ-MRXNPFEDSA-N 2 2 390.915 3.505 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001142192486 1028330709 /nfs/dbraw/zinc/33/07/09/1028330709.db2.gz JWFJXVSCUQGEGQ-FGZHOGPDSA-N 2 2 393.531 3.601 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[NH+]1CCc2sccc2C1 ZINC001142227280 1028422278 /nfs/dbraw/zinc/42/22/78/1028422278.db2.gz JVPJMSYIXUBWRS-OAQYLSRUSA-N 2 2 397.588 3.523 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[NH+]1CCc2sccc2C1 ZINC001142227280 1028422295 /nfs/dbraw/zinc/42/22/95/1028422295.db2.gz JVPJMSYIXUBWRS-OAQYLSRUSA-N 2 2 397.588 3.523 20 0 GHADLP CC1(C)C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001142227280 1028422309 /nfs/dbraw/zinc/42/23/09/1028422309.db2.gz JVPJMSYIXUBWRS-OAQYLSRUSA-N 2 2 397.588 3.523 20 0 GHADLP CC1(C)C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001142227280 1028422323 /nfs/dbraw/zinc/42/23/23/1028422323.db2.gz JVPJMSYIXUBWRS-OAQYLSRUSA-N 2 2 397.588 3.523 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]cc2-c2nc(-c3ccccc3C(F)(F)F)no2)CC1 ZINC001214671661 1028850456 /nfs/dbraw/zinc/85/04/56/1028850456.db2.gz JFZLUXSREICKHS-UHFFFAOYSA-N 2 2 389.381 3.569 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC001214822941 1028925004 /nfs/dbraw/zinc/92/50/04/1028925004.db2.gz LUEVHKAGFXJPPT-UHFFFAOYSA-N 2 2 388.487 3.623 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC001214822941 1028925014 /nfs/dbraw/zinc/92/50/14/1028925014.db2.gz LUEVHKAGFXJPPT-UHFFFAOYSA-N 2 2 388.487 3.623 20 0 GHADLP COc1cc(OC)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c(OC)c1 ZINC000842670513 1029473383 /nfs/dbraw/zinc/47/33/83/1029473383.db2.gz HIFLHBXKIPINSE-LJQANCHMSA-N 2 2 396.531 3.999 20 0 GHADLP COc1cc(OC)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c(OC)c1 ZINC000842670513 1029473389 /nfs/dbraw/zinc/47/33/89/1029473389.db2.gz HIFLHBXKIPINSE-LJQANCHMSA-N 2 2 396.531 3.999 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000842762176 1029572003 /nfs/dbraw/zinc/57/20/03/1029572003.db2.gz BNKCLQYHHCXNKH-QUCCMNQESA-N 2 2 395.938 3.664 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000842762176 1029572014 /nfs/dbraw/zinc/57/20/14/1029572014.db2.gz BNKCLQYHHCXNKH-QUCCMNQESA-N 2 2 395.938 3.664 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cc(Br)ncc1F ZINC000842922216 1029686935 /nfs/dbraw/zinc/68/69/35/1029686935.db2.gz AQQRNBFBEBDJRO-LXZKKBNFSA-N 2 2 392.316 3.979 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cc(Br)ncc1F ZINC000842922216 1029686939 /nfs/dbraw/zinc/68/69/39/1029686939.db2.gz AQQRNBFBEBDJRO-LXZKKBNFSA-N 2 2 392.316 3.979 20 0 GHADLP C[NH+]1CCC(C2CC[NH+](Cc3cn4c(cccc4Br)n3)CC2)CC1 ZINC001143079936 1029830846 /nfs/dbraw/zinc/83/08/46/1029830846.db2.gz SPJMBYGXIYTZLK-UHFFFAOYSA-N 2 2 391.357 3.651 20 0 GHADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC001461582698 1069622837 /nfs/dbraw/zinc/62/28/37/1069622837.db2.gz BLLMXQIKFHNDPH-FYYLOGMGSA-N 2 2 391.515 3.968 20 0 GHADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC001461582698 1069622840 /nfs/dbraw/zinc/62/28/40/1069622840.db2.gz BLLMXQIKFHNDPH-FYYLOGMGSA-N 2 2 391.515 3.968 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398911 1029970151 /nfs/dbraw/zinc/97/01/51/1029970151.db2.gz AXRVZQJTZGILPF-HOJAQTOUSA-N 2 2 398.551 3.939 20 0 GHADLP CCOc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)cc(Br)c1O ZINC001222315945 1030065409 /nfs/dbraw/zinc/06/54/09/1030065409.db2.gz RNXRKKTVWDWYFC-SFHVURJKSA-N 2 2 383.330 3.662 20 0 GHADLP CCOc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc(Br)c1O ZINC001222315945 1030065428 /nfs/dbraw/zinc/06/54/28/1030065428.db2.gz RNXRKKTVWDWYFC-SFHVURJKSA-N 2 2 383.330 3.662 20 0 GHADLP Fc1cc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc(OC(F)(F)F)c1 ZINC001222610509 1030233815 /nfs/dbraw/zinc/23/38/15/1030233815.db2.gz ZZJHOMSUYAYLQZ-SFHVURJKSA-N 2 2 380.385 3.913 20 0 GHADLP Fc1cc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc(OC(F)(F)F)c1 ZINC001222610509 1030233828 /nfs/dbraw/zinc/23/38/28/1030233828.db2.gz ZZJHOMSUYAYLQZ-SFHVURJKSA-N 2 2 380.385 3.913 20 0 GHADLP Fc1cc(-c2noc(-c3ccn4c[nH+]cc4c3)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001217331789 1030315263 /nfs/dbraw/zinc/31/52/63/1030315263.db2.gz HFQLMJAJACCBRH-LJQANCHMSA-N 2 2 386.390 3.923 20 0 GHADLP Fc1cc(-c2noc(-c3cccc4c[nH+]cn43)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001217589456 1030514008 /nfs/dbraw/zinc/51/40/08/1030514008.db2.gz SZDCXGWGVMMIBH-GOSISDBHSA-N 2 2 386.390 3.923 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC001223934709 1030816310 /nfs/dbraw/zinc/81/63/10/1030816310.db2.gz FTZNHOJDRCOMSW-KRWDZBQOSA-N 2 2 389.588 3.790 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)C[NH2+]2)c1 ZINC001218884552 1031132651 /nfs/dbraw/zinc/13/26/51/1031132651.db2.gz WWYVAPJCEBZVHC-NVXWUHKLSA-N 2 2 394.441 3.924 20 0 GHADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc3ccccc3c2-c2c(O)ccc3ccccc32)C1 ZINC001218918705 1031153036 /nfs/dbraw/zinc/15/30/36/1031153036.db2.gz ZUFAEDAJLOMDTQ-UTKZUKDTSA-N 2 2 397.478 3.993 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1 ZINC001219070089 1031240618 /nfs/dbraw/zinc/24/06/18/1031240618.db2.gz NKSWGUZGINMTBF-IBGZPJMESA-N 2 2 396.878 3.525 20 0 GHADLP O=C(NC1C[NH+](C(c2ccccc2)c2ccccc2)C1)c1cccc2c1C[NH2+]CC2 ZINC001219716427 1031577522 /nfs/dbraw/zinc/57/75/22/1031577522.db2.gz NQBYHUKMEAUNKD-UHFFFAOYSA-N 2 2 397.522 3.536 20 0 GHADLP C[NH2+]Cc1ccc(C(=O)NC2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1 ZINC001219716441 1031577947 /nfs/dbraw/zinc/57/79/47/1031577947.db2.gz ODACYQFXLREGOU-UHFFFAOYSA-N 2 2 385.511 3.610 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(Oc2ccccc2F)c1 ZINC001220060763 1031760456 /nfs/dbraw/zinc/76/04/56/1031760456.db2.gz NYYQJGVDEXSESD-UHFFFAOYSA-N 2 2 388.487 3.623 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(Oc2ccccc2F)c1 ZINC001220060763 1031760473 /nfs/dbraw/zinc/76/04/73/1031760473.db2.gz NYYQJGVDEXSESD-UHFFFAOYSA-N 2 2 388.487 3.623 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C1CC1 ZINC001205488937 1033437120 /nfs/dbraw/zinc/43/71/20/1033437120.db2.gz FLBXPVRJQPGCQU-PQNGQFLHSA-N 2 2 399.579 3.744 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C1CC1 ZINC001205488937 1033437126 /nfs/dbraw/zinc/43/71/26/1033437126.db2.gz FLBXPVRJQPGCQU-PQNGQFLHSA-N 2 2 399.579 3.744 20 0 GHADLP O=C([C@@H]1CC[C@H](c2ccccc2)[NH2+]C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001157609185 1033688908 /nfs/dbraw/zinc/68/89/08/1033688908.db2.gz BXDBFAWUGCEMCX-IQFXESBZSA-N 2 2 389.543 3.585 20 0 GHADLP [NH3+][C@@H](Cc1cccc2ccccc21)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001157609531 1033689392 /nfs/dbraw/zinc/68/93/92/1033689392.db2.gz DXLAKRGWMLETQE-HJKZNEBBSA-N 2 2 399.538 3.567 20 0 GHADLP COC(=O)c1cnc([C@@H](C)[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC001206024241 1033691562 /nfs/dbraw/zinc/69/15/62/1033691562.db2.gz YQCWERSNRZZHSV-QGZVFWFLSA-N 2 2 399.560 3.979 20 0 GHADLP COC(=O)c1cnc([C@@H](C)[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC001206024241 1033691574 /nfs/dbraw/zinc/69/15/74/1033691574.db2.gz YQCWERSNRZZHSV-QGZVFWFLSA-N 2 2 399.560 3.979 20 0 GHADLP Nc1cc(-n2nc(-c3ccc(Oc4ccccc4)cc3)c3c2nc[nH+]c3N)cc[nH+]1 ZINC001206534885 1033897190 /nfs/dbraw/zinc/89/71/90/1033897190.db2.gz BIRUUOSUOJRREI-UHFFFAOYSA-N 2 2 395.426 3.834 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc2[nH]cc(CC[NH+](C)C)c2c1 ZINC001206546384 1033903091 /nfs/dbraw/zinc/90/30/91/1033903091.db2.gz TUZCJDZAWMTDFA-UHFFFAOYSA-N 2 2 393.531 3.780 20 0 GHADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC001206769020 1033976017 /nfs/dbraw/zinc/97/60/17/1033976017.db2.gz MJSPOOZSHAJSBP-QWRGUYRKSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC001206769020 1033976023 /nfs/dbraw/zinc/97/60/23/1033976023.db2.gz MJSPOOZSHAJSBP-QWRGUYRKSA-N 2 2 381.236 3.907 20 0 GHADLP Cc1cc(N(C2CC[NH2+]CC2)C(F)(F)c2ccnc(Cl)c2F)nc(C)[nH+]1 ZINC001158388532 1034056844 /nfs/dbraw/zinc/05/68/44/1034056844.db2.gz UPPIDQGRDQADFW-UHFFFAOYSA-N 2 2 385.821 3.589 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ncc(F)cc1F)CC2 ZINC001207096382 1034090197 /nfs/dbraw/zinc/09/01/97/1034090197.db2.gz OBCKOUVFRARJPN-IBGZPJMESA-N 2 2 387.474 3.615 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ncc(F)cc1F)CC2 ZINC001207096382 1034090214 /nfs/dbraw/zinc/09/02/14/1034090214.db2.gz OBCKOUVFRARJPN-IBGZPJMESA-N 2 2 387.474 3.615 20 0 GHADLP c1ccc(CC[C@H]2CCC[N@H+]2Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001461902410 1069861190 /nfs/dbraw/zinc/86/11/90/1069861190.db2.gz VRRIVHDCCDRQPT-XMMPIXPASA-N 2 2 394.559 3.995 20 0 GHADLP c1ccc(CC[C@H]2CCC[N@@H+]2Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001461902410 1069861209 /nfs/dbraw/zinc/86/12/09/1069861209.db2.gz VRRIVHDCCDRQPT-XMMPIXPASA-N 2 2 394.559 3.995 20 0 GHADLP C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001207649327 1034510941 /nfs/dbraw/zinc/51/09/41/1034510941.db2.gz UAFFPOTZSVCAQM-IBGZPJMESA-N 2 2 376.589 3.652 20 0 GHADLP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001207649327 1034510943 /nfs/dbraw/zinc/51/09/43/1034510943.db2.gz UAFFPOTZSVCAQM-IBGZPJMESA-N 2 2 376.589 3.652 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3ccc4cc(N(C)C)ccc4c3)CC2)nc(C)[nH+]1 ZINC001231441375 1034590408 /nfs/dbraw/zinc/59/04/08/1034590408.db2.gz MMXMPBNLYFKQFJ-UHFFFAOYSA-N 2 2 375.520 3.635 20 0 GHADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc3cc(N(C)C)ccc3c2)CC1 ZINC001231442701 1034592087 /nfs/dbraw/zinc/59/20/87/1034592087.db2.gz UQKFFUHSHWZZSO-XMMPIXPASA-N 2 2 381.564 3.981 20 0 GHADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc3cc(N(C)C)ccc3c2)CC1 ZINC001231442701 1034592090 /nfs/dbraw/zinc/59/20/90/1034592090.db2.gz UQKFFUHSHWZZSO-XMMPIXPASA-N 2 2 381.564 3.981 20 0 GHADLP CC[N@H+](C[C@@H]1[C@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)C1CC[NH+](C)CC1 ZINC001207821188 1034597468 /nfs/dbraw/zinc/59/74/68/1034597468.db2.gz HNZJXMXRKLGHEX-NVXWUHKLSA-N 2 2 389.531 3.541 20 0 GHADLP CC[N@@H+](C[C@@H]1[C@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)C1CC[NH+](C)CC1 ZINC001207821188 1034597473 /nfs/dbraw/zinc/59/74/73/1034597473.db2.gz HNZJXMXRKLGHEX-NVXWUHKLSA-N 2 2 389.531 3.541 20 0 GHADLP COc1ccc[nH+]c1NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001159514630 1034629566 /nfs/dbraw/zinc/62/95/66/1034629566.db2.gz DNLPPOINKCXAIW-OAQYLSRUSA-N 2 2 377.488 3.565 20 0 GHADLP Cc1ccc(CCC[NH+]2CCC([N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)o1 ZINC001207947336 1034676491 /nfs/dbraw/zinc/67/64/91/1034676491.db2.gz AKQAWDRZJYQRHG-SFHVURJKSA-N 2 2 391.556 3.584 20 0 GHADLP Cc1ccc(CCC[NH+]2CCC([N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)o1 ZINC001207947336 1034676500 /nfs/dbraw/zinc/67/65/00/1034676500.db2.gz AKQAWDRZJYQRHG-SFHVURJKSA-N 2 2 391.556 3.584 20 0 GHADLP COc1ccc2c(cc[nH+]c2N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001159626494 1034695214 /nfs/dbraw/zinc/69/52/14/1034695214.db2.gz XXWCQMYUJRFBIM-MEMLXQNLSA-N 2 2 394.563 3.994 20 0 GHADLP C[NH+](C)CC1(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CCCC1 ZINC001208190563 1034785076 /nfs/dbraw/zinc/78/50/76/1034785076.db2.gz GJKXTTPQYCGWHU-MDNUFGMLSA-N 3 2 384.612 3.736 20 0 GHADLP C[NH+](C)CC1(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CCCC1 ZINC001208190563 1034785092 /nfs/dbraw/zinc/78/50/92/1034785092.db2.gz GJKXTTPQYCGWHU-MDNUFGMLSA-N 3 2 384.612 3.736 20 0 GHADLP C[NH+](C)CC1(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CCCC1 ZINC001208190563 1034785108 /nfs/dbraw/zinc/78/51/08/1034785108.db2.gz GJKXTTPQYCGWHU-MDNUFGMLSA-N 3 2 384.612 3.736 20 0 GHADLP CC/C=C\CCCCC[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001208194555 1034788408 /nfs/dbraw/zinc/78/84/08/1034788408.db2.gz PWBJSWKHUBJRRZ-PLNGDYQASA-N 3 2 390.660 3.689 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](CC[C@@H](C)CCCC(C)(C)OC)C2)C1 ZINC001208210450 1034801396 /nfs/dbraw/zinc/80/13/96/1034801396.db2.gz RXQHZCLWLQECLN-GMAHTHKFSA-N 2 2 398.632 3.669 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](CC[C@@H](C)CCCC(C)(C)OC)C2)C1 ZINC001208210450 1034801407 /nfs/dbraw/zinc/80/14/07/1034801407.db2.gz RXQHZCLWLQECLN-GMAHTHKFSA-N 2 2 398.632 3.669 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](CC[C@@H](C)CCCC(C)(C)OC)C2)C1 ZINC001208210450 1034801415 /nfs/dbraw/zinc/80/14/15/1034801415.db2.gz RXQHZCLWLQECLN-GMAHTHKFSA-N 2 2 398.632 3.669 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](CC[C@@H](C)CCCC(C)(C)OC)C2)C1 ZINC001208210450 1034801426 /nfs/dbraw/zinc/80/14/26/1034801426.db2.gz RXQHZCLWLQECLN-GMAHTHKFSA-N 2 2 398.632 3.669 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001208234464 1034823557 /nfs/dbraw/zinc/82/35/57/1034823557.db2.gz HZPKADPYJWMPHM-RBUKOAKNSA-N 2 2 389.540 3.880 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001208234464 1034823575 /nfs/dbraw/zinc/82/35/75/1034823575.db2.gz HZPKADPYJWMPHM-RBUKOAKNSA-N 2 2 389.540 3.880 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(OC(C)(C)C)cc3)CC2)C1 ZINC001231808839 1034922846 /nfs/dbraw/zinc/92/28/46/1034922846.db2.gz XFVKMCFVOWYXAM-IBGZPJMESA-N 2 2 388.552 3.713 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(OC(C)(C)C)cc3)CC2)C1 ZINC001231808839 1034922851 /nfs/dbraw/zinc/92/28/51/1034922851.db2.gz XFVKMCFVOWYXAM-IBGZPJMESA-N 2 2 388.552 3.713 20 0 GHADLP COC(=O)[C@H](C)C[N@@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001208726437 1034991205 /nfs/dbraw/zinc/99/12/05/1034991205.db2.gz PKBGCRSWYOXLDA-LJQANCHMSA-N 2 2 378.516 3.593 20 0 GHADLP COC(=O)[C@H](C)C[N@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001208726437 1034991212 /nfs/dbraw/zinc/99/12/12/1034991212.db2.gz PKBGCRSWYOXLDA-LJQANCHMSA-N 2 2 378.516 3.593 20 0 GHADLP COC(=O)[C@@H](C)C[N@@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001208726436 1034991565 /nfs/dbraw/zinc/99/15/65/1034991565.db2.gz PKBGCRSWYOXLDA-IBGZPJMESA-N 2 2 378.516 3.593 20 0 GHADLP COC(=O)[C@@H](C)C[N@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001208726436 1034991571 /nfs/dbraw/zinc/99/15/71/1034991571.db2.gz PKBGCRSWYOXLDA-IBGZPJMESA-N 2 2 378.516 3.593 20 0 GHADLP COc1ccc(Cl)cc1N1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208952478 1035125803 /nfs/dbraw/zinc/12/58/03/1035125803.db2.gz JORWIQNFGWXXPV-HXUWFJFHSA-N 2 2 399.966 3.993 20 0 GHADLP COc1ccc(Cl)cc1N1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208952478 1035125807 /nfs/dbraw/zinc/12/58/07/1035125807.db2.gz JORWIQNFGWXXPV-HXUWFJFHSA-N 2 2 399.966 3.993 20 0 GHADLP Clc1cccc(Cl)c1CC[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001209107263 1035176500 /nfs/dbraw/zinc/17/65/00/1035176500.db2.gz GOQJXHSRWVVVTA-UHFFFAOYSA-N 2 2 390.318 3.536 20 0 GHADLP Clc1cccc(Cl)c1CC[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001209107263 1035176503 /nfs/dbraw/zinc/17/65/03/1035176503.db2.gz GOQJXHSRWVVVTA-UHFFFAOYSA-N 2 2 390.318 3.536 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(F)(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC001209240620 1035216555 /nfs/dbraw/zinc/21/65/55/1035216555.db2.gz RFMJVZKHVHBZRI-UHFFFAOYSA-N 2 2 383.552 3.676 20 0 GHADLP FC(F)(F)c1ccccc1CC[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001209278301 1035229185 /nfs/dbraw/zinc/22/91/85/1035229185.db2.gz UGNUKFYOEFOFGY-RTBURBONSA-N 2 2 375.438 3.707 20 0 GHADLP CC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@@H](C)c1cccc(OC)c1 ZINC001461961460 1069916645 /nfs/dbraw/zinc/91/66/45/1069916645.db2.gz AOICVKVIKGKKKD-FQEVSTJZSA-N 2 2 398.547 3.989 20 0 GHADLP CC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@@H](C)c1cccc(OC)c1 ZINC001461961460 1069916647 /nfs/dbraw/zinc/91/66/47/1069916647.db2.gz AOICVKVIKGKKKD-FQEVSTJZSA-N 2 2 398.547 3.989 20 0 GHADLP COc1ccc(-c2cc(F)ccc2C[NH+]2CCOCC2)cc1C[NH+]1CCCC1 ZINC001243103276 1036034528 /nfs/dbraw/zinc/03/45/28/1036034528.db2.gz URPPXWONVVVPPY-UHFFFAOYSA-N 2 2 384.495 3.929 20 0 GHADLP C[C@@H]([NH2+][C@H](CC(N)=O)c1ccccc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001462056999 1069970318 /nfs/dbraw/zinc/97/03/18/1069970318.db2.gz AZGQXWAEKGEABD-PLMTUMEDSA-N 2 2 385.939 3.757 20 0 GHADLP C[C@@H]([NH2+][C@H](CC(N)=O)c1ccccc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462056999 1069970319 /nfs/dbraw/zinc/97/03/19/1069970319.db2.gz AZGQXWAEKGEABD-PLMTUMEDSA-N 2 2 385.939 3.757 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)c2)C1 ZINC001243407982 1036141317 /nfs/dbraw/zinc/14/13/17/1036141317.db2.gz USGYWGHWMMYSRO-QFIPXVFZSA-N 2 2 381.495 3.652 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)c2)C1 ZINC001243407982 1036141332 /nfs/dbraw/zinc/14/13/32/1036141332.db2.gz USGYWGHWMMYSRO-QFIPXVFZSA-N 2 2 381.495 3.652 20 0 GHADLP C[C@@H]1CC[N@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)CC[S@]1=O ZINC001462084596 1069986324 /nfs/dbraw/zinc/98/63/24/1069986324.db2.gz CPAJVJJYSBZTJF-KCVHQNEMSA-N 2 2 376.610 3.768 20 0 GHADLP C[C@@H]1CC[N@@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)CC[S@]1=O ZINC001462084596 1069986328 /nfs/dbraw/zinc/98/63/28/1069986328.db2.gz CPAJVJJYSBZTJF-KCVHQNEMSA-N 2 2 376.610 3.768 20 0 GHADLP C[C@@H]1CC[NH+](C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC[S@]1=O ZINC001462084596 1069986329 /nfs/dbraw/zinc/98/63/29/1069986329.db2.gz CPAJVJJYSBZTJF-KCVHQNEMSA-N 2 2 376.610 3.768 20 0 GHADLP C[C@@H]1CC[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC[S@]1=O ZINC001462084596 1069986333 /nfs/dbraw/zinc/98/63/33/1069986333.db2.gz CPAJVJJYSBZTJF-KCVHQNEMSA-N 2 2 376.610 3.768 20 0 GHADLP O[C@H](C[NH2+]C[C@]1(F)CC[NH2+]C1)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245984318 1037107318 /nfs/dbraw/zinc/10/73/18/1037107318.db2.gz JAVRZQGONNUVBJ-QUCCMNQESA-N 2 2 395.305 3.889 20 0 GHADLP CC(C)c1ccc(OC[C@H](O)C[NH2+]C2(c3cccc(F)c3)CC[NH2+]CC2)cc1 ZINC001246007881 1037127100 /nfs/dbraw/zinc/12/71/00/1037127100.db2.gz QMEFOFNFVHDQJZ-OAQYLSRUSA-N 2 2 386.511 3.557 20 0 GHADLP CCCC[C@H](CC)COC[C@H](O)C[NH2+]C1(c2ccccc2F)CC[NH2+]CC1 ZINC001246009565 1037129664 /nfs/dbraw/zinc/12/96/64/1037129664.db2.gz ZBBYSUPMADLPKI-RBUKOAKNSA-N 2 2 380.548 3.588 20 0 GHADLP O[C@H](COc1cccc2[nH]c3ccccc3c21)C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246037823 1037152760 /nfs/dbraw/zinc/15/27/60/1037152760.db2.gz XNXULKAJPCQJKP-UUOWRZLLSA-N 2 2 393.531 3.669 20 0 GHADLP O[C@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246037823 1037152771 /nfs/dbraw/zinc/15/27/71/1037152771.db2.gz XNXULKAJPCQJKP-UUOWRZLLSA-N 2 2 393.531 3.669 20 0 GHADLP O[C@]1(C[N@@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC001246062752 1037174774 /nfs/dbraw/zinc/17/47/74/1037174774.db2.gz GAPFPIZNLXBJQB-PMVMPFDFSA-N 2 2 397.950 3.560 20 0 GHADLP O[C@]1(C[N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC001246062752 1037174791 /nfs/dbraw/zinc/17/47/91/1037174791.db2.gz GAPFPIZNLXBJQB-PMVMPFDFSA-N 2 2 397.950 3.560 20 0 GHADLP O[C@]1(C[NH+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC001246062752 1037174806 /nfs/dbraw/zinc/17/48/06/1037174806.db2.gz GAPFPIZNLXBJQB-PMVMPFDFSA-N 2 2 397.950 3.560 20 0 GHADLP O[C@]1(C[NH+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001246062752 1037174826 /nfs/dbraw/zinc/17/48/26/1037174826.db2.gz GAPFPIZNLXBJQB-PMVMPFDFSA-N 2 2 397.950 3.560 20 0 GHADLP Brc1ccc(C2CCC([NH2+][C@H]3CC[C@@H]4[NH2+]CCO[C@@H]34)CC2)cc1 ZINC001246148621 1037216070 /nfs/dbraw/zinc/21/60/70/1037216070.db2.gz HAMWZZILORYBMC-DWKQHGKHSA-N 2 2 379.342 3.584 20 0 GHADLP CC[C@@H]1CC([NH2+]Cc2ccc(Br)cc2C(=O)OC)C[C@@H](CC)[NH2+]1 ZINC001246278004 1037272946 /nfs/dbraw/zinc/27/29/46/1037272946.db2.gz JGVGSUQKVVDZCE-HUUCEWRRSA-N 2 2 383.330 3.635 20 0 GHADLP CC[C@H]([NH2+][C@H](C)CC[NH2+]C)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 ZINC001246312618 1037289488 /nfs/dbraw/zinc/28/94/88/1037289488.db2.gz YKLOGKYLYFCUIK-QAPCUYQASA-N 2 2 382.483 3.564 20 0 GHADLP CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246335796 1037299519 /nfs/dbraw/zinc/29/95/19/1037299519.db2.gz IGHKUSAXTHSSOH-IBGZPJMESA-N 2 2 378.944 3.716 20 0 GHADLP FC(F)(F)c1cccc(CC2(C[NH2+][C@@H]3CC4CC[NH+](CC4)C3)CC[NH2+]CC2)c1 ZINC001246412547 1037369635 /nfs/dbraw/zinc/36/96/35/1037369635.db2.gz HLECTLJDPHDPGD-HXUWFJFHSA-N 3 2 395.513 3.692 20 0 GHADLP COC(=O)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC001246525184 1037457349 /nfs/dbraw/zinc/45/73/49/1037457349.db2.gz MPQUYSGDDGQKDM-UGSOOPFHSA-N 2 2 396.409 3.592 20 0 GHADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)cc1 ZINC001246525220 1037458913 /nfs/dbraw/zinc/45/89/13/1037458913.db2.gz MQNFMRBFEYVMIV-QFBILLFUSA-N 2 2 393.314 3.927 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@H]([N@@H+]2CCO[C@@]4(CCC[NH2+]C4)C2)CC3)cc1 ZINC001246625486 1037514802 /nfs/dbraw/zinc/51/48/02/1037514802.db2.gz WEKLQYZCGKOAMN-ILBGXUMGSA-N 2 2 392.543 3.577 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@H]([N@H+]2CCO[C@@]4(CCC[NH2+]C4)C2)CC3)cc1 ZINC001246625486 1037514820 /nfs/dbraw/zinc/51/48/20/1037514820.db2.gz WEKLQYZCGKOAMN-ILBGXUMGSA-N 2 2 392.543 3.577 20 0 GHADLP C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H](CC(=O)NC4CCC4)c4ccccc43)CC2)C[NH2+]1 ZINC001246757810 1037598386 /nfs/dbraw/zinc/59/83/86/1037598386.db2.gz RWZFYDNGGOEBBL-SVFBPWRDSA-N 2 2 395.591 3.707 20 0 GHADLP CCN(CC)C(=O)C[C@H]1CC2(CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)c2ccccc21 ZINC001246757817 1037598437 /nfs/dbraw/zinc/59/84/37/1037598437.db2.gz WGDLLPJRMOOFOK-VQTJNVASSA-N 2 2 383.580 3.518 20 0 GHADLP FC(F)(F)c1ccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)nc1Cl ZINC001246788788 1037627615 /nfs/dbraw/zinc/62/76/15/1037627615.db2.gz PSURZVDEDPSLSW-WDNDVIMCSA-N 2 2 388.865 3.549 20 0 GHADLP O=C(c1ccc(Cl)cc1)N1CCC[N@@H+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC001246886844 1037700911 /nfs/dbraw/zinc/70/09/11/1037700911.db2.gz JGJJRQGVFJTQGR-FCHUYYIVSA-N 2 2 397.950 3.981 20 0 GHADLP O=C(c1ccc(Cl)cc1)N1CCC[N@H+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC001246886844 1037700934 /nfs/dbraw/zinc/70/09/34/1037700934.db2.gz JGJJRQGVFJTQGR-FCHUYYIVSA-N 2 2 397.950 3.981 20 0 GHADLP COC(=O)c1ccc(C2C[NH+]([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)cc1 ZINC001246950823 1037753293 /nfs/dbraw/zinc/75/32/93/1037753293.db2.gz XTUDFSZOINAONT-UNMCSNQZSA-N 2 2 382.479 3.813 20 0 GHADLP CCOC(=O)N1CCC[C@@H]([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001246965715 1037786564 /nfs/dbraw/zinc/78/65/64/1037786564.db2.gz QTSCSETXPFAYGC-MRXNPFEDSA-N 2 2 395.494 3.530 20 0 GHADLP CCOC(=O)N1CCC[C@@H]([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001246965715 1037786580 /nfs/dbraw/zinc/78/65/80/1037786580.db2.gz QTSCSETXPFAYGC-MRXNPFEDSA-N 2 2 395.494 3.530 20 0 GHADLP COC(=O)[C@]12CC[NH2+][C@@H]1C[N@@H+](C1CCC(c3ccc(Cl)cc3)CC1)CC2 ZINC001246992760 1037815001 /nfs/dbraw/zinc/81/50/01/1037815001.db2.gz YZEVMXQMJHQDAN-CULRFDQTSA-N 2 2 376.928 3.593 20 0 GHADLP COC(=O)[C@]12CC[NH2+][C@@H]1C[N@H+](C1CCC(c3ccc(Cl)cc3)CC1)CC2 ZINC001246992760 1037815009 /nfs/dbraw/zinc/81/50/09/1037815009.db2.gz YZEVMXQMJHQDAN-CULRFDQTSA-N 2 2 376.928 3.593 20 0 GHADLP FC(F)(F)[C@@H]1C[N@H+](Cc2ccccc2)CCN1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246993121 1037818308 /nfs/dbraw/zinc/81/83/08/1037818308.db2.gz KPLXLXHIKXLBKN-AABGKKOBSA-N 2 2 381.486 3.657 20 0 GHADLP FC(F)(F)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246993121 1037818319 /nfs/dbraw/zinc/81/83/19/1037818319.db2.gz KPLXLXHIKXLBKN-AABGKKOBSA-N 2 2 381.486 3.657 20 0 GHADLP Clc1cccc(-c2noc([C@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)c1Cl ZINC001247127348 1037935872 /nfs/dbraw/zinc/93/58/72/1037935872.db2.gz PORCTIYYHYNMCQ-GFCCVEGCSA-N 2 2 390.274 3.659 20 0 GHADLP COc1ccc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c(C)n1 ZINC001232334004 1038112751 /nfs/dbraw/zinc/11/27/51/1038112751.db2.gz QXWWKCCNECQMSR-UHFFFAOYSA-N 2 2 382.895 3.922 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3ccccc3OCc3ccccc3)no2)cc1 ZINC001247698377 1038336779 /nfs/dbraw/zinc/33/67/79/1038336779.db2.gz GQNHWCOLNVLVBV-HXUWFJFHSA-N 2 2 386.455 3.941 20 0 GHADLP Cc1cc(Br)c(-c2noc(-c3ccc([C@@H]([NH3+])C[NH3+])cc3)n2)cc1F ZINC001247699100 1038336984 /nfs/dbraw/zinc/33/69/84/1038336984.db2.gz UHMLWQNWHNJVFB-HNNXBMFYSA-N 2 2 391.244 3.572 20 0 GHADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccc(N(C)C)nc3F)C[C@@H]21 ZINC001233115712 1038904591 /nfs/dbraw/zinc/90/45/91/1038904591.db2.gz MJTDXUAKHIBOPD-ONTIZHBOSA-N 2 2 382.527 3.897 20 0 GHADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccc(N(C)C)nc3F)C[C@@H]21 ZINC001233115712 1038904598 /nfs/dbraw/zinc/90/45/98/1038904598.db2.gz MJTDXUAKHIBOPD-ONTIZHBOSA-N 2 2 382.527 3.897 20 0 GHADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(N(C)C)nc3F)C[C@@H]21 ZINC001233115712 1038904599 /nfs/dbraw/zinc/90/45/99/1038904599.db2.gz MJTDXUAKHIBOPD-ONTIZHBOSA-N 2 2 382.527 3.897 20 0 GHADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(N(C)C)nc3F)C[C@@H]21 ZINC001233115712 1038904601 /nfs/dbraw/zinc/90/46/01/1038904601.db2.gz MJTDXUAKHIBOPD-ONTIZHBOSA-N 2 2 382.527 3.897 20 0 GHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H](O)c1cccc(Br)c1 ZINC001462339096 1070183409 /nfs/dbraw/zinc/18/34/09/1070183409.db2.gz KPAOCKCTWVGABA-QGZVFWFLSA-N 2 2 392.322 3.862 20 0 GHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H](O)c1cccc(Br)c1 ZINC001462339096 1070183413 /nfs/dbraw/zinc/18/34/13/1070183413.db2.gz KPAOCKCTWVGABA-QGZVFWFLSA-N 2 2 392.322 3.862 20 0 GHADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)Cc2cccc3[nH+]ccn32)cc1 ZINC001233364131 1039191129 /nfs/dbraw/zinc/19/11/29/1039191129.db2.gz SBOMVTPCOIIBNT-HXUWFJFHSA-N 2 2 378.520 3.829 20 0 GHADLP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)Cc2cccc3[nH+]ccn32)cc1 ZINC001233364131 1039191138 /nfs/dbraw/zinc/19/11/38/1039191138.db2.gz SBOMVTPCOIIBNT-HXUWFJFHSA-N 2 2 378.520 3.829 20 0 GHADLP O[C@]1(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948398 1039290912 /nfs/dbraw/zinc/29/09/12/1039290912.db2.gz NADBKZGRIAVHIO-FQEVSTJZSA-N 2 2 390.449 3.921 20 0 GHADLP O[C@]1(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948398 1039290924 /nfs/dbraw/zinc/29/09/24/1039290924.db2.gz NADBKZGRIAVHIO-FQEVSTJZSA-N 2 2 390.449 3.921 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3c[nH]c(Br)c3)CC2)c2ccccc2[nH+]1 ZINC001233434483 1039313199 /nfs/dbraw/zinc/31/31/99/1039313199.db2.gz QRXLEOKFFKLFNN-UHFFFAOYSA-N 2 2 385.309 3.956 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC001253360160 1039572263 /nfs/dbraw/zinc/57/22/63/1039572263.db2.gz BZYLCVCRXJNPRV-OAQYLSRUSA-N 2 2 378.438 3.734 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC001253360160 1039572280 /nfs/dbraw/zinc/57/22/80/1039572280.db2.gz BZYLCVCRXJNPRV-OAQYLSRUSA-N 2 2 378.438 3.734 20 0 GHADLP CCCCC[C@H](O)C[NH2+]C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001253554328 1039702332 /nfs/dbraw/zinc/70/23/32/1039702332.db2.gz KYFSAROIUJQRQC-ZEQRLZLVSA-N 2 2 384.564 3.581 20 0 GHADLP COc1cc(C[NH+]2CCC3(CC2)OC(=O)c2ccccc23)ccc1-n1cc[nH+]c1 ZINC001234068200 1039802655 /nfs/dbraw/zinc/80/26/55/1039802655.db2.gz YTEULOHGZQVZLP-UHFFFAOYSA-N 2 2 389.455 3.543 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[N@@H+]3CCC[C@@H]3CNc3cccc(C)[nH+]3)cc12 ZINC001254010351 1039951747 /nfs/dbraw/zinc/95/17/47/1039951747.db2.gz BETNEOZCGQCDAX-MRXNPFEDSA-N 2 2 384.915 3.710 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[N@H+]3CCC[C@@H]3CNc3cccc(C)[nH+]3)cc12 ZINC001254010351 1039951748 /nfs/dbraw/zinc/95/17/48/1039951748.db2.gz BETNEOZCGQCDAX-MRXNPFEDSA-N 2 2 384.915 3.710 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1c[nH]c3cccc(OC)c13)CC2 ZINC001235017396 1040504020 /nfs/dbraw/zinc/50/40/20/1040504020.db2.gz CAEIGALAQJVZCA-UHFFFAOYSA-N 2 2 391.515 3.822 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1c[nH]c3cccc(OC)c13)CC2 ZINC001235017396 1040504035 /nfs/dbraw/zinc/50/40/35/1040504035.db2.gz CAEIGALAQJVZCA-UHFFFAOYSA-N 2 2 391.515 3.822 20 0 GHADLP CCOC(=O)c1ccc(C[N@@H+]2CCc3ccc(OC)cc3C23CC[NH2+]CC3)cc1 ZINC001235018573 1040509535 /nfs/dbraw/zinc/50/95/35/1040509535.db2.gz JPKDXYWLSWLXSX-UHFFFAOYSA-N 2 2 394.515 3.509 20 0 GHADLP CCOC(=O)c1ccc(C[N@H+]2CCc3ccc(OC)cc3C23CC[NH2+]CC3)cc1 ZINC001235018573 1040509554 /nfs/dbraw/zinc/50/95/54/1040509554.db2.gz JPKDXYWLSWLXSX-UHFFFAOYSA-N 2 2 394.515 3.509 20 0 GHADLP Cc1cccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c1OCc1ccccc1 ZINC001235020408 1040510364 /nfs/dbraw/zinc/51/03/64/1040510364.db2.gz CWMMYJUUORBEJH-DEOSSOPVSA-N 2 2 380.532 3.776 20 0 GHADLP Cc1cccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c1OCc1ccccc1 ZINC001235020408 1040510383 /nfs/dbraw/zinc/51/03/83/1040510383.db2.gz CWMMYJUUORBEJH-DEOSSOPVSA-N 2 2 380.532 3.776 20 0 GHADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235021475 1040513750 /nfs/dbraw/zinc/51/37/50/1040513750.db2.gz INLJJWGREUSWQC-DEOSSOPVSA-N 2 2 380.532 3.776 20 0 GHADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235021475 1040513754 /nfs/dbraw/zinc/51/37/54/1040513754.db2.gz INLJJWGREUSWQC-DEOSSOPVSA-N 2 2 380.532 3.776 20 0 GHADLP Brc1cc(CN2CC[C@H]([NH+]3CCCCC3)C2)ccc1-n1cc[nH+]c1 ZINC001235031377 1040523551 /nfs/dbraw/zinc/52/35/51/1040523551.db2.gz RBWPWFKXEUTUEM-KRWDZBQOSA-N 2 2 389.341 3.695 20 0 GHADLP Fc1cc(Br)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(F)c1Cl ZINC001235093852 1040583553 /nfs/dbraw/zinc/58/35/53/1040583553.db2.gz RVPOIHKIBZAELX-UHFFFAOYSA-N 2 2 379.676 3.956 20 0 GHADLP Fc1cc(Br)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(F)c1Cl ZINC001235093852 1040583568 /nfs/dbraw/zinc/58/35/68/1040583568.db2.gz RVPOIHKIBZAELX-UHFFFAOYSA-N 2 2 379.676 3.956 20 0 GHADLP CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1C[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254842599 1040586794 /nfs/dbraw/zinc/58/67/94/1040586794.db2.gz FJGZIRPUSCEKNG-WOJBJXKFSA-N 2 2 385.552 3.817 20 0 GHADLP Cc1cc(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc(C)c1OCc1ccccc1 ZINC001235120604 1040612016 /nfs/dbraw/zinc/61/20/16/1040612016.db2.gz UNMXNIPZKQXMPL-DEOSSOPVSA-N 2 2 380.532 3.837 20 0 GHADLP Cc1cc(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc(C)c1OCc1ccccc1 ZINC001235120604 1040612040 /nfs/dbraw/zinc/61/20/40/1040612040.db2.gz UNMXNIPZKQXMPL-DEOSSOPVSA-N 2 2 380.532 3.837 20 0 GHADLP Cc1cc(C[N@@H+]2CC[NH2+]C[C@@]3(CCCC(=O)N3)C2)cc(C)c1-c1ccc(F)cc1 ZINC001235183618 1040673914 /nfs/dbraw/zinc/67/39/14/1040673914.db2.gz JTFHCHRUOQRJEY-DEOSSOPVSA-N 2 2 395.522 3.554 20 0 GHADLP Cc1cc(C[N@H+]2CC[NH2+]C[C@@]3(CCCC(=O)N3)C2)cc(C)c1-c1ccc(F)cc1 ZINC001235183618 1040673921 /nfs/dbraw/zinc/67/39/21/1040673921.db2.gz JTFHCHRUOQRJEY-DEOSSOPVSA-N 2 2 395.522 3.554 20 0 GHADLP C[NH+]1CCC([N@H+](C2CCCC2)C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)CC1 ZINC001255011469 1040727705 /nfs/dbraw/zinc/72/77/05/1040727705.db2.gz VJNJDMQZZCTEEA-QILAJZQNSA-N 2 2 397.607 3.757 20 0 GHADLP C[NH+]1CCC([N@@H+](C2CCCC2)C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)CC1 ZINC001255011469 1040727721 /nfs/dbraw/zinc/72/77/21/1040727721.db2.gz VJNJDMQZZCTEEA-QILAJZQNSA-N 2 2 397.607 3.757 20 0 GHADLP Cc1cccnc1N1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255135420 1040837590 /nfs/dbraw/zinc/83/75/90/1040837590.db2.gz BBPDWXCLKLQEFY-JKHIJQBDSA-N 2 2 376.548 3.708 20 0 GHADLP Cc1cccnc1N1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255135420 1040837604 /nfs/dbraw/zinc/83/76/04/1040837604.db2.gz BBPDWXCLKLQEFY-JKHIJQBDSA-N 2 2 376.548 3.708 20 0 GHADLP CC[NH+](CC)CCCN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255142257 1040851915 /nfs/dbraw/zinc/85/19/15/1040851915.db2.gz AWSXWIBNLVLJJB-QEIWAGNOSA-N 3 2 398.639 3.532 20 0 GHADLP CC[NH+](CC)CCCN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255142257 1040851930 /nfs/dbraw/zinc/85/19/30/1040851930.db2.gz AWSXWIBNLVLJJB-QEIWAGNOSA-N 3 2 398.639 3.532 20 0 GHADLP Cc1cc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc(C)c1OCCO ZINC001235377406 1040890147 /nfs/dbraw/zinc/89/01/47/1040890147.db2.gz VKJBMKWYJQAXHG-UHFFFAOYSA-N 2 2 394.559 3.697 20 0 GHADLP Cc1cc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)cc(C)c1OCCO ZINC001235377406 1040890166 /nfs/dbraw/zinc/89/01/66/1040890166.db2.gz VKJBMKWYJQAXHG-UHFFFAOYSA-N 2 2 394.559 3.697 20 0 GHADLP CCOC(=O)c1ccccc1C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235382024 1040901861 /nfs/dbraw/zinc/90/18/61/1040901861.db2.gz MBNXSTNMUJWXHS-ZJSXRUAMSA-N 2 2 378.516 3.617 20 0 GHADLP CCOC(=O)c1ccccc1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235382024 1040901865 /nfs/dbraw/zinc/90/18/65/1040901865.db2.gz MBNXSTNMUJWXHS-ZJSXRUAMSA-N 2 2 378.516 3.617 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235384151 1040904049 /nfs/dbraw/zinc/90/40/49/1040904049.db2.gz RGHCDFKFTNISFJ-NZQKXSOJSA-N 2 2 398.934 3.880 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235384151 1040904052 /nfs/dbraw/zinc/90/40/52/1040904052.db2.gz RGHCDFKFTNISFJ-NZQKXSOJSA-N 2 2 398.934 3.880 20 0 GHADLP CCOc1cc(O)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001235398720 1040912769 /nfs/dbraw/zinc/91/27/69/1040912769.db2.gz TZOKOTMZBMFWQY-WDJPJFJCSA-N 2 2 395.547 3.918 20 0 GHADLP CCOc1cc(O)cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001235398720 1040912771 /nfs/dbraw/zinc/91/27/71/1040912771.db2.gz TZOKOTMZBMFWQY-WDJPJFJCSA-N 2 2 395.547 3.918 20 0 GHADLP CCOc1cc(O)cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001235398720 1040912774 /nfs/dbraw/zinc/91/27/74/1040912774.db2.gz TZOKOTMZBMFWQY-WDJPJFJCSA-N 2 2 395.547 3.918 20 0 GHADLP CCOc1cc(O)cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001235398720 1040912778 /nfs/dbraw/zinc/91/27/78/1040912778.db2.gz TZOKOTMZBMFWQY-WDJPJFJCSA-N 2 2 395.547 3.918 20 0 GHADLP CCOc1cc(O)cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001235398718 1040912813 /nfs/dbraw/zinc/91/28/13/1040912813.db2.gz TZOKOTMZBMFWQY-IEXUWNMDSA-N 2 2 395.547 3.918 20 0 GHADLP CCOc1cc(O)cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001235398718 1040912814 /nfs/dbraw/zinc/91/28/14/1040912814.db2.gz TZOKOTMZBMFWQY-IEXUWNMDSA-N 2 2 395.547 3.918 20 0 GHADLP CCOc1cc(O)cc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001235398718 1040912821 /nfs/dbraw/zinc/91/28/21/1040912821.db2.gz TZOKOTMZBMFWQY-IEXUWNMDSA-N 2 2 395.547 3.918 20 0 GHADLP CCOc1cc(O)cc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001235398718 1040912828 /nfs/dbraw/zinc/91/28/28/1040912828.db2.gz TZOKOTMZBMFWQY-IEXUWNMDSA-N 2 2 395.547 3.918 20 0 GHADLP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccc3nc(Br)sc3c1)C2 ZINC001235401815 1040914395 /nfs/dbraw/zinc/91/43/95/1040914395.db2.gz UCKHMAQWZYTRMC-ZBFHGGJFSA-N 2 2 384.318 3.582 20 0 GHADLP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc3nc(Br)sc3c1)C2 ZINC001235401815 1040914400 /nfs/dbraw/zinc/91/44/00/1040914400.db2.gz UCKHMAQWZYTRMC-ZBFHGGJFSA-N 2 2 384.318 3.582 20 0 GHADLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccc3nc(Br)sc3c1)C2 ZINC001235401811 1040914673 /nfs/dbraw/zinc/91/46/73/1040914673.db2.gz UCKHMAQWZYTRMC-GDBMZVCRSA-N 2 2 384.318 3.582 20 0 GHADLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc3nc(Br)sc3c1)C2 ZINC001235401811 1040914681 /nfs/dbraw/zinc/91/46/81/1040914681.db2.gz UCKHMAQWZYTRMC-GDBMZVCRSA-N 2 2 384.318 3.582 20 0 GHADLP COc1c(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cccc1OCc1ccccc1 ZINC001235401831 1040915018 /nfs/dbraw/zinc/91/50/18/1040915018.db2.gz UGYAMOQBGKUWRX-FYYLOGMGSA-N 2 2 384.495 3.798 20 0 GHADLP COc1c(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cccc1OCc1ccccc1 ZINC001235401831 1040915032 /nfs/dbraw/zinc/91/50/32/1040915032.db2.gz UGYAMOQBGKUWRX-FYYLOGMGSA-N 2 2 384.495 3.798 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)C1 ZINC001255352088 1040957377 /nfs/dbraw/zinc/95/73/77/1040957377.db2.gz ZKTUJIURWIQOGA-LAUBAEHRSA-N 2 2 376.516 3.810 20 0 GHADLP O=C1N(CC2CC2)CC[C@]12CCC[N@@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255405447 1040992762 /nfs/dbraw/zinc/99/27/62/1040992762.db2.gz ZRFCWHFWNBZJQN-ZCYQVOJMSA-N 2 2 395.591 3.766 20 0 GHADLP O=C1N(CC2CC2)CC[C@]12CCC[N@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255405447 1040992763 /nfs/dbraw/zinc/99/27/63/1040992763.db2.gz ZRFCWHFWNBZJQN-ZCYQVOJMSA-N 2 2 395.591 3.766 20 0 GHADLP O=C1N(CC2CC2)CC[C@]12CCC[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255405447 1040992764 /nfs/dbraw/zinc/99/27/64/1040992764.db2.gz ZRFCWHFWNBZJQN-ZCYQVOJMSA-N 2 2 395.591 3.766 20 0 GHADLP O=C1N(CC2CC2)CC[C@]12CCC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255405447 1040992767 /nfs/dbraw/zinc/99/27/67/1040992767.db2.gz ZRFCWHFWNBZJQN-ZCYQVOJMSA-N 2 2 395.591 3.766 20 0 GHADLP COc1ccc(Cl)cc1C[N@@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235646421 1041087765 /nfs/dbraw/zinc/08/77/65/1041087765.db2.gz ONHVSFIJDAIEGM-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP COc1ccc(Cl)cc1C[N@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235646421 1041087782 /nfs/dbraw/zinc/08/77/82/1041087782.db2.gz ONHVSFIJDAIEGM-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP COc1c(C)ccc(F)c1C[N@@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235651207 1041096994 /nfs/dbraw/zinc/09/69/94/1041096994.db2.gz YRKKENCXPJEBJG-UHFFFAOYSA-N 2 2 386.515 3.777 20 0 GHADLP COc1c(C)ccc(F)c1C[N@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235651207 1041097014 /nfs/dbraw/zinc/09/70/14/1041097014.db2.gz YRKKENCXPJEBJG-UHFFFAOYSA-N 2 2 386.515 3.777 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c(F)ccc(N)c3F)C[C@@H]21 ZINC001235660597 1041108398 /nfs/dbraw/zinc/10/83/98/1041108398.db2.gz HHSNUQRFUMKNIR-HZUJVAHNSA-N 2 2 386.490 3.675 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c(F)ccc(N)c3F)C[C@@H]21 ZINC001235660597 1041108418 /nfs/dbraw/zinc/10/84/18/1041108418.db2.gz HHSNUQRFUMKNIR-HZUJVAHNSA-N 2 2 386.490 3.675 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3c(F)ccc(N)c3F)C[C@@H]21 ZINC001235660597 1041108435 /nfs/dbraw/zinc/10/84/35/1041108435.db2.gz HHSNUQRFUMKNIR-HZUJVAHNSA-N 2 2 386.490 3.675 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c(F)ccc(N)c3F)C[C@@H]21 ZINC001235660597 1041108450 /nfs/dbraw/zinc/10/84/50/1041108450.db2.gz HHSNUQRFUMKNIR-HZUJVAHNSA-N 2 2 386.490 3.675 20 0 GHADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001255609368 1041165081 /nfs/dbraw/zinc/16/50/81/1041165081.db2.gz URRKIXYFUVAAED-HXUWFJFHSA-N 2 2 391.531 3.731 20 0 GHADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001255609368 1041165089 /nfs/dbraw/zinc/16/50/89/1041165089.db2.gz URRKIXYFUVAAED-HXUWFJFHSA-N 2 2 391.531 3.731 20 0 GHADLP Cc1ccc(SC[C@@H](C)[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001255761721 1041276159 /nfs/dbraw/zinc/27/61/59/1041276159.db2.gz CJWILIXMSSKQFW-HMXCVIKNSA-N 2 2 384.593 3.663 20 0 GHADLP Cc1ccc(SC[C@@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001255761721 1041276171 /nfs/dbraw/zinc/27/61/71/1041276171.db2.gz CJWILIXMSSKQFW-HMXCVIKNSA-N 2 2 384.593 3.663 20 0 GHADLP Cc1ccc(SC[C@@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001255761721 1041276183 /nfs/dbraw/zinc/27/61/83/1041276183.db2.gz CJWILIXMSSKQFW-HMXCVIKNSA-N 2 2 384.593 3.663 20 0 GHADLP Cc1ccc(SC[C@@H](C)[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001255761721 1041276201 /nfs/dbraw/zinc/27/62/01/1041276201.db2.gz CJWILIXMSSKQFW-HMXCVIKNSA-N 2 2 384.593 3.663 20 0 GHADLP [NH3+]C1CC2(C1)C[NH+](Cc1cc(Br)ccc1OCc1ccccc1)C2 ZINC001235820683 1041338352 /nfs/dbraw/zinc/33/83/52/1041338352.db2.gz QSUDNIAGQIXORS-UHFFFAOYSA-N 2 2 387.321 3.951 20 0 GHADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001255883838 1041374526 /nfs/dbraw/zinc/37/45/26/1041374526.db2.gz QLAZAMUMLZEZJB-UHFFFAOYSA-N 2 2 384.443 3.719 20 0 GHADLP Brc1cccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1Br ZINC001236008797 1041500357 /nfs/dbraw/zinc/50/03/57/1041500357.db2.gz GQYLSWMSODKRBU-UHFFFAOYSA-N 2 2 388.147 3.787 20 0 GHADLP FC(F)(F)c1ccc(Cn2cncc2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001256071661 1041506712 /nfs/dbraw/zinc/50/67/12/1041506712.db2.gz JTRYCNFINFRBOG-UHFFFAOYSA-N 2 2 378.442 3.667 20 0 GHADLP O=C1CC2(CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)c2ccccc2N1CC1CC1 ZINC001256078410 1041512381 /nfs/dbraw/zinc/51/23/81/1041512381.db2.gz MCXHXISKVBKKGV-UHFFFAOYSA-N 2 2 393.575 3.794 20 0 GHADLP [NH3+]C1CN([C@@H]2CCC[N@H+](Cc3c(Cl)cc(C(F)(F)F)cc3Cl)C2)C1 ZINC001236077491 1041523517 /nfs/dbraw/zinc/52/35/17/1041523517.db2.gz IGRJEOHFFTWCMB-GFCCVEGCSA-N 2 2 382.257 3.620 20 0 GHADLP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3c(Cl)cc(C(F)(F)F)cc3Cl)C2)C1 ZINC001236077491 1041523538 /nfs/dbraw/zinc/52/35/38/1041523538.db2.gz IGRJEOHFFTWCMB-GFCCVEGCSA-N 2 2 382.257 3.620 20 0 GHADLP NC(=O)C1([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001256110173 1041535565 /nfs/dbraw/zinc/53/55/65/1041535565.db2.gz WIQIQTPPHMMIKE-XZOQPEGZSA-N 2 2 391.559 3.823 20 0 GHADLP Nc1[nH+]ccn1Cc1ccccc1-c1cccc(Cl)c1C[NH+]1CCOCC1 ZINC001236280371 1041657262 /nfs/dbraw/zinc/65/72/62/1041657262.db2.gz ZWRXDWJHLVPTGP-UHFFFAOYSA-N 2 2 382.895 3.666 20 0 GHADLP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](C(F)(F)F)C3)c2)cc1 ZINC001236353200 1041679758 /nfs/dbraw/zinc/67/97/58/1041679758.db2.gz FVHSETMQWMNHJM-RTBURBONSA-N 2 2 392.421 3.852 20 0 GHADLP COC(=O)c1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])[C@H](C(F)(F)F)C3)c2)cc1 ZINC001236353200 1041679761 /nfs/dbraw/zinc/67/97/61/1041679761.db2.gz FVHSETMQWMNHJM-RTBURBONSA-N 2 2 392.421 3.852 20 0 GHADLP Brc1ccc(C[N@H+](Cc2cccn3ccnc23)C2CC[NH2+]CC2)cc1 ZINC001236377549 1041688593 /nfs/dbraw/zinc/68/85/93/1041688593.db2.gz YOQJEOITWPMKBE-UHFFFAOYSA-N 2 2 399.336 3.851 20 0 GHADLP Brc1ccc(C[N@@H+](Cc2cccn3ccnc23)C2CC[NH2+]CC2)cc1 ZINC001236377549 1041688597 /nfs/dbraw/zinc/68/85/97/1041688597.db2.gz YOQJEOITWPMKBE-UHFFFAOYSA-N 2 2 399.336 3.851 20 0 GHADLP CC(C)(C)C[N@H+](Cc1cc2c(cc1Br)OCO2)C1CC[NH2+]CC1 ZINC001236457835 1041721720 /nfs/dbraw/zinc/72/17/20/1041721720.db2.gz OJGQKYKKZXZKBL-UHFFFAOYSA-N 2 2 383.330 3.778 20 0 GHADLP CC(C)(C)C[N@@H+](Cc1cc2c(cc1Br)OCO2)C1CC[NH2+]CC1 ZINC001236457835 1041721721 /nfs/dbraw/zinc/72/17/21/1041721721.db2.gz OJGQKYKKZXZKBL-UHFFFAOYSA-N 2 2 383.330 3.778 20 0 GHADLP C[C@@H](Cc1ccccn1)[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001256417432 1041726061 /nfs/dbraw/zinc/72/60/61/1041726061.db2.gz UIMCEVBBMLNOSS-GHTZIAJQSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@@H](Cc1ccccn1)[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001256417432 1041726066 /nfs/dbraw/zinc/72/60/66/1041726066.db2.gz UIMCEVBBMLNOSS-GHTZIAJQSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@@H](Cc1ccccn1)[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001256417432 1041726074 /nfs/dbraw/zinc/72/60/74/1041726074.db2.gz UIMCEVBBMLNOSS-GHTZIAJQSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@@H](Cc1ccccn1)[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001256417432 1041726081 /nfs/dbraw/zinc/72/60/81/1041726081.db2.gz UIMCEVBBMLNOSS-GHTZIAJQSA-N 2 2 386.490 3.641 20 0 GHADLP CC(C)C[N@H+](Cc1c2cc(Br)ccc2nn1C)[C@@H]1CCC[NH2+]C1 ZINC001236477884 1041733093 /nfs/dbraw/zinc/73/30/93/1041733093.db2.gz RTTRVMXHRLBXMF-OAHLLOKOSA-N 2 2 379.346 3.546 20 0 GHADLP CC(C)C[N@@H+](Cc1c2cc(Br)ccc2nn1C)[C@@H]1CCC[NH2+]C1 ZINC001236477884 1041733100 /nfs/dbraw/zinc/73/31/00/1041733100.db2.gz RTTRVMXHRLBXMF-OAHLLOKOSA-N 2 2 379.346 3.546 20 0 GHADLP Cc1ccc(C[N@@H+](Cc2cc(=O)n(C)c3ccccc23)C2CC[NH2+]CC2)c(F)c1 ZINC001236490165 1041737683 /nfs/dbraw/zinc/73/76/83/1041737683.db2.gz IVMOLMODAXFXGY-UHFFFAOYSA-N 2 2 393.506 3.740 20 0 GHADLP Cc1ccc(C[N@H+](Cc2cc(=O)n(C)c3ccccc23)C2CC[NH2+]CC2)c(F)c1 ZINC001236490165 1041737689 /nfs/dbraw/zinc/73/76/89/1041737689.db2.gz IVMOLMODAXFXGY-UHFFFAOYSA-N 2 2 393.506 3.740 20 0 GHADLP [NH3+]CCN(Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001236523353 1041752271 /nfs/dbraw/zinc/75/22/71/1041752271.db2.gz BPSJFEDICZQIJX-UHFFFAOYSA-N 2 2 385.309 3.596 20 0 GHADLP COc1ccc2sc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)cc2c1 ZINC001236656366 1041807011 /nfs/dbraw/zinc/80/70/11/1041807011.db2.gz BEUFEDJECVQLEG-OALUTQOASA-N 2 2 379.529 3.869 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4nc5ccccc5cc4Cl)C[C@@H]3C2)cn1 ZINC001236866830 1041935303 /nfs/dbraw/zinc/93/53/03/1041935303.db2.gz CDVLWMSWCHNUNN-MOPGFXCFSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4nc5ccccc5cc4Cl)C[C@@H]3C2)cn1 ZINC001236866830 1041935304 /nfs/dbraw/zinc/93/53/04/1041935304.db2.gz CDVLWMSWCHNUNN-MOPGFXCFSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4nc5ccccc5cc4Cl)C[C@@H]3C2)cn1 ZINC001236866830 1041935306 /nfs/dbraw/zinc/93/53/06/1041935306.db2.gz CDVLWMSWCHNUNN-MOPGFXCFSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4nc5ccccc5cc4Cl)C[C@@H]3C2)cn1 ZINC001236866830 1041935308 /nfs/dbraw/zinc/93/53/08/1041935308.db2.gz CDVLWMSWCHNUNN-MOPGFXCFSA-N 2 2 395.938 3.576 20 0 GHADLP O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236902833 1041947648 /nfs/dbraw/zinc/94/76/48/1041947648.db2.gz JKGXLZXMXMSDIM-NRFANRHFSA-N 2 2 378.863 3.622 20 0 GHADLP O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236902833 1041947650 /nfs/dbraw/zinc/94/76/50/1041947650.db2.gz JKGXLZXMXMSDIM-NRFANRHFSA-N 2 2 378.863 3.622 20 0 GHADLP COc1ccc(O[C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)nc1 ZINC001236908222 1041950895 /nfs/dbraw/zinc/95/08/95/1041950895.db2.gz DXQXJJJRZDISIN-KRWDZBQOSA-N 2 2 384.867 3.583 20 0 GHADLP COc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)nc1 ZINC001236908222 1041950896 /nfs/dbraw/zinc/95/08/96/1041950896.db2.gz DXQXJJJRZDISIN-KRWDZBQOSA-N 2 2 384.867 3.583 20 0 GHADLP Clc1cc(CN2CC[NH+](CCc3cccs3)CC2)ccc1-n1cc[nH+]c1 ZINC001236910394 1041952625 /nfs/dbraw/zinc/95/26/25/1041952625.db2.gz BLGAFIFAMYJDPX-UHFFFAOYSA-N 2 2 386.952 3.948 20 0 GHADLP CCOC(=O)N1CCC([N@H+](C)Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236914318 1041954811 /nfs/dbraw/zinc/95/48/11/1041954811.db2.gz NAMMFMMQTKEKFW-UHFFFAOYSA-N 2 2 376.888 3.578 20 0 GHADLP CCOC(=O)N1CCC([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236914318 1041954818 /nfs/dbraw/zinc/95/48/18/1041954818.db2.gz NAMMFMMQTKEKFW-UHFFFAOYSA-N 2 2 376.888 3.578 20 0 GHADLP C[N@H+](Cc1ccc(F)c(N2CCOCC2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001236971519 1041973600 /nfs/dbraw/zinc/97/36/00/1041973600.db2.gz LLZWIBUPBILKMR-UHFFFAOYSA-N 2 2 397.538 3.759 20 0 GHADLP C[N@@H+](Cc1ccc(F)c(N2CCOCC2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001236971519 1041973604 /nfs/dbraw/zinc/97/36/04/1041973604.db2.gz LLZWIBUPBILKMR-UHFFFAOYSA-N 2 2 397.538 3.759 20 0 GHADLP FC(F)(F)[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC001237017081 1041992411 /nfs/dbraw/zinc/99/24/11/1041992411.db2.gz XAYQMQWKIQHLPC-IBGZPJMESA-N 2 2 395.494 3.643 20 0 GHADLP FC(F)(F)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC001237017081 1041992413 /nfs/dbraw/zinc/99/24/13/1041992413.db2.gz XAYQMQWKIQHLPC-IBGZPJMESA-N 2 2 395.494 3.643 20 0 GHADLP FC(F)(F)[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC001237017082 1041992496 /nfs/dbraw/zinc/99/24/96/1041992496.db2.gz XAYQMQWKIQHLPC-LJQANCHMSA-N 2 2 395.494 3.643 20 0 GHADLP FC(F)(F)[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC001237017082 1041992501 /nfs/dbraw/zinc/99/25/01/1041992501.db2.gz XAYQMQWKIQHLPC-LJQANCHMSA-N 2 2 395.494 3.643 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC001237042716 1042002596 /nfs/dbraw/zinc/00/25/96/1042002596.db2.gz XEBXBDDXIZRCLX-UHFFFAOYSA-N 2 2 386.471 3.890 20 0 GHADLP Cn1c[nH+]cc1CN1CC2(CCC1=O)CC[NH+](Cc1ccsc1Cl)CC2 ZINC001278071346 1042101304 /nfs/dbraw/zinc/10/13/04/1042101304.db2.gz SDUOUYVRHOLSOI-UHFFFAOYSA-N 2 2 392.956 3.540 20 0 GHADLP COCC[N@H+](Cc1ccccc1NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001237341413 1042157160 /nfs/dbraw/zinc/15/71/60/1042157160.db2.gz CLTJSXINKOUPSQ-UHFFFAOYSA-N 2 2 377.529 3.576 20 0 GHADLP COCC[N@@H+](Cc1ccccc1NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001237341413 1042157163 /nfs/dbraw/zinc/15/71/63/1042157163.db2.gz CLTJSXINKOUPSQ-UHFFFAOYSA-N 2 2 377.529 3.576 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc(OCc2ccccc2)c1OC ZINC001237413624 1042197891 /nfs/dbraw/zinc/19/78/91/1042197891.db2.gz IZLLPMAQEKKHGH-NHCUHLMSSA-N 2 2 396.531 3.857 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc(OCc2ccccc2)c1OC ZINC001237413624 1042197892 /nfs/dbraw/zinc/19/78/92/1042197892.db2.gz IZLLPMAQEKKHGH-NHCUHLMSSA-N 2 2 396.531 3.857 20 0 GHADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1c[nH]c2ncc(Br)nc12 ZINC001237853218 1042396141 /nfs/dbraw/zinc/39/61/41/1042396141.db2.gz BRJCGNKLTUOWTE-GJZGRUSLSA-N 2 2 392.345 3.559 20 0 GHADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1c[nH]c2ncc(Br)nc12 ZINC001237853218 1042396148 /nfs/dbraw/zinc/39/61/48/1042396148.db2.gz BRJCGNKLTUOWTE-GJZGRUSLSA-N 2 2 392.345 3.559 20 0 GHADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2ncc(Br)nc12 ZINC001237853218 1042396151 /nfs/dbraw/zinc/39/61/51/1042396151.db2.gz BRJCGNKLTUOWTE-GJZGRUSLSA-N 2 2 392.345 3.559 20 0 GHADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1c[nH]c2ncc(Br)nc12 ZINC001237853218 1042396155 /nfs/dbraw/zinc/39/61/55/1042396155.db2.gz BRJCGNKLTUOWTE-GJZGRUSLSA-N 2 2 392.345 3.559 20 0 GHADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)cc21 ZINC001237876490 1042404663 /nfs/dbraw/zinc/40/46/63/1042404663.db2.gz GZLASDOFAUQXPQ-WMTXJRDZSA-N 2 2 382.548 3.846 20 0 GHADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)cc21 ZINC001237876490 1042404665 /nfs/dbraw/zinc/40/46/65/1042404665.db2.gz GZLASDOFAUQXPQ-WMTXJRDZSA-N 2 2 382.548 3.846 20 0 GHADLP Cc1cc(Cl)c(Cl)cc1C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001238258702 1042535061 /nfs/dbraw/zinc/53/50/61/1042535061.db2.gz JVFLSERLDVPGDF-SJLPKXTDSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1cc(Cl)c(Cl)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001238258702 1042535064 /nfs/dbraw/zinc/53/50/64/1042535064.db2.gz JVFLSERLDVPGDF-SJLPKXTDSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001238258702 1042535066 /nfs/dbraw/zinc/53/50/66/1042535066.db2.gz JVFLSERLDVPGDF-SJLPKXTDSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1cc(Cl)c(Cl)cc1C[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001238258702 1042535067 /nfs/dbraw/zinc/53/50/67/1042535067.db2.gz JVFLSERLDVPGDF-SJLPKXTDSA-N 2 2 393.362 3.989 20 0 GHADLP CC(C)c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)n1 ZINC001238727865 1042704754 /nfs/dbraw/zinc/70/47/54/1042704754.db2.gz QBNODPSWEBUCOJ-IEBWSBKVSA-N 2 2 387.959 3.546 20 0 GHADLP CC(C)c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)n1 ZINC001238727865 1042704759 /nfs/dbraw/zinc/70/47/59/1042704759.db2.gz QBNODPSWEBUCOJ-IEBWSBKVSA-N 2 2 387.959 3.546 20 0 GHADLP CC(C)c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)n1 ZINC001238727865 1042704762 /nfs/dbraw/zinc/70/47/62/1042704762.db2.gz QBNODPSWEBUCOJ-IEBWSBKVSA-N 2 2 387.959 3.546 20 0 GHADLP CC(C)c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)n1 ZINC001238727865 1042704766 /nfs/dbraw/zinc/70/47/66/1042704766.db2.gz QBNODPSWEBUCOJ-IEBWSBKVSA-N 2 2 387.959 3.546 20 0 GHADLP CC1CCN(C(=O)c2ccc(-c3ccccc3C[N@@H+]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC001240043653 1042875421 /nfs/dbraw/zinc/87/54/21/1042875421.db2.gz MFLJXVFNZIARDC-QFIPXVFZSA-N 2 2 377.532 3.759 20 0 GHADLP CC1CCN(C(=O)c2ccc(-c3ccccc3C[N@H+]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC001240043653 1042875423 /nfs/dbraw/zinc/87/54/23/1042875423.db2.gz MFLJXVFNZIARDC-QFIPXVFZSA-N 2 2 377.532 3.759 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(C(=O)NCc4ccccc4)c3)cc2)C1 ZINC001240077383 1042883601 /nfs/dbraw/zinc/88/36/01/1042883601.db2.gz OZQMYSUMEMNYNH-XMMPIXPASA-N 2 2 385.511 3.817 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(C(=O)NCc4ccccc4)c3)cc2)C1 ZINC001240077383 1042883606 /nfs/dbraw/zinc/88/36/06/1042883606.db2.gz OZQMYSUMEMNYNH-XMMPIXPASA-N 2 2 385.511 3.817 20 0 GHADLP Cc1cnc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)cc1Br ZINC001278307981 1042892536 /nfs/dbraw/zinc/89/25/36/1042892536.db2.gz ICKBDAUJFVWMLV-UHFFFAOYSA-N 2 2 389.341 3.579 20 0 GHADLP Fc1c(C[NH+]2CCCC2)cccc1-c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001240452137 1042931618 /nfs/dbraw/zinc/93/16/18/1042931618.db2.gz NHIMXBLKVFKPTF-UHFFFAOYSA-N 2 2 384.495 3.800 20 0 GHADLP CCOC(=O)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccnc1 ZINC001256532290 1043466527 /nfs/dbraw/zinc/46/65/27/1043466527.db2.gz XJUWSORZCYVNOK-BWAGFHJFSA-N 2 2 381.520 3.719 20 0 GHADLP CCOC(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccnc1 ZINC001256532290 1043466529 /nfs/dbraw/zinc/46/65/29/1043466529.db2.gz XJUWSORZCYVNOK-BWAGFHJFSA-N 2 2 381.520 3.719 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CCN(C)C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256536426 1043480322 /nfs/dbraw/zinc/48/03/22/1043480322.db2.gz GYCYOCROOPMPED-UYAOXDASSA-N 2 2 375.557 3.838 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CCN(C)C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256536426 1043480334 /nfs/dbraw/zinc/48/03/34/1043480334.db2.gz GYCYOCROOPMPED-UYAOXDASSA-N 2 2 375.557 3.838 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)CCN(C)C(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001256536426 1043480349 /nfs/dbraw/zinc/48/03/49/1043480349.db2.gz GYCYOCROOPMPED-UYAOXDASSA-N 2 2 375.557 3.838 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)CCN(C)C(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001256536426 1043480362 /nfs/dbraw/zinc/48/03/62/1043480362.db2.gz GYCYOCROOPMPED-UYAOXDASSA-N 2 2 375.557 3.838 20 0 GHADLP Cc1noc([C@@H]2C[C@@H]3CC[NH+]([C@@H]4CC[N@H+](Cc5ccccc5)[C@H](C)C4)C[C@H]3O2)n1 ZINC001256544679 1043500305 /nfs/dbraw/zinc/50/03/05/1043500305.db2.gz NNWYXEWKZCOYJR-DENWASCKSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@@H]2C[C@@H]3CC[NH+]([C@@H]4CC[N@@H+](Cc5ccccc5)[C@H](C)C4)C[C@H]3O2)n1 ZINC001256544679 1043500321 /nfs/dbraw/zinc/50/03/21/1043500321.db2.gz NNWYXEWKZCOYJR-DENWASCKSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@@H]2C[C@@H]3CC[N@@H+]([C@@H]4CC[NH+](Cc5ccccc5)[C@H](C)C4)C[C@H]3O2)n1 ZINC001256544679 1043500335 /nfs/dbraw/zinc/50/03/35/1043500335.db2.gz NNWYXEWKZCOYJR-DENWASCKSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@@H]2C[C@@H]3CC[N@H+]([C@@H]4CC[NH+](Cc5ccccc5)[C@H](C)C4)C[C@H]3O2)n1 ZINC001256544679 1043500352 /nfs/dbraw/zinc/50/03/52/1043500352.db2.gz NNWYXEWKZCOYJR-DENWASCKSA-N 2 2 396.535 3.583 20 0 GHADLP C[C@@H]1C[C@H](N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256553612 1043520497 /nfs/dbraw/zinc/52/04/97/1043520497.db2.gz HIGCBSHIZLWTCK-HMXCVIKNSA-N 2 2 377.523 3.845 20 0 GHADLP C[C@@H]1C[C@H](N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256553612 1043520506 /nfs/dbraw/zinc/52/05/06/1043520506.db2.gz HIGCBSHIZLWTCK-HMXCVIKNSA-N 2 2 377.523 3.845 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)CC1 ZINC001256570364 1043542526 /nfs/dbraw/zinc/54/25/26/1043542526.db2.gz HIOFRWVDBIFHPN-FQEVSTJZSA-N 2 2 378.601 3.795 20 0 GHADLP CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccncc2)CC1 ZINC001256594655 1043560230 /nfs/dbraw/zinc/56/02/30/1043560230.db2.gz ZVOUODNOCVLPMV-XMMPIXPASA-N 2 2 378.564 3.642 20 0 GHADLP CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccncc2)CC1 ZINC001256594655 1043560237 /nfs/dbraw/zinc/56/02/37/1043560237.db2.gz ZVOUODNOCVLPMV-XMMPIXPASA-N 2 2 378.564 3.642 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C1CC[NH+](Cc2ccncc2)CC1 ZINC001256597386 1043561854 /nfs/dbraw/zinc/56/18/54/1043561854.db2.gz SDDAHLCPWIBFCJ-OFVILXPXSA-N 2 2 392.591 3.888 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C1CC[NH+](Cc2ccncc2)CC1 ZINC001256597386 1043561863 /nfs/dbraw/zinc/56/18/63/1043561863.db2.gz SDDAHLCPWIBFCJ-OFVILXPXSA-N 2 2 392.591 3.888 20 0 GHADLP c1ccc(C[NH+]2CCC([N@@H+]3CCc4ncnc(-c5cccnc5)c4CC3)CC2)cc1 ZINC001256606208 1043570711 /nfs/dbraw/zinc/57/07/11/1043570711.db2.gz PECJDHSKVFXZLF-UHFFFAOYSA-N 2 2 399.542 3.604 20 0 GHADLP c1ccc(C[NH+]2CCC([N@H+]3CCc4ncnc(-c5cccnc5)c4CC3)CC2)cc1 ZINC001256606208 1043570714 /nfs/dbraw/zinc/57/07/14/1043570714.db2.gz PECJDHSKVFXZLF-UHFFFAOYSA-N 2 2 399.542 3.604 20 0 GHADLP COc1ccc(OC2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)nc1 ZINC001256612632 1043577722 /nfs/dbraw/zinc/57/77/22/1043577722.db2.gz OGVWKRYQUNEFND-UHFFFAOYSA-N 2 2 381.520 3.598 20 0 GHADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001292071402 1043582465 /nfs/dbraw/zinc/58/24/65/1043582465.db2.gz JZCLDBIVBMESRU-RXVVDRJESA-N 2 2 389.559 3.807 20 0 GHADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001292071402 1043582476 /nfs/dbraw/zinc/58/24/76/1043582476.db2.gz JZCLDBIVBMESRU-RXVVDRJESA-N 2 2 389.559 3.807 20 0 GHADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001292071402 1043582485 /nfs/dbraw/zinc/58/24/85/1043582485.db2.gz JZCLDBIVBMESRU-RXVVDRJESA-N 2 2 389.559 3.807 20 0 GHADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)C1 ZINC001292071402 1043582495 /nfs/dbraw/zinc/58/24/95/1043582495.db2.gz JZCLDBIVBMESRU-RXVVDRJESA-N 2 2 389.559 3.807 20 0 GHADLP FC(F)(F)c1cccnc1N1CCC(n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CC1 ZINC001256893411 1043725914 /nfs/dbraw/zinc/72/59/14/1043725914.db2.gz WKVXTFSAEVEREK-CQSZACIVSA-N 2 2 379.430 3.605 20 0 GHADLP CC(C)(C)OC(=O)N1CC([C@@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C2CC2)C1 ZINC001256911122 1043736641 /nfs/dbraw/zinc/73/66/41/1043736641.db2.gz JOPZCPJQMVQAMF-QUCCMNQESA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1CC([C@@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C2CC2)C1 ZINC001256911122 1043736653 /nfs/dbraw/zinc/73/66/53/1043736653.db2.gz JOPZCPJQMVQAMF-QUCCMNQESA-N 2 2 377.573 3.629 20 0 GHADLP CC[C@@H]1C[C@@H](n2c[nH+]c(C)c2CSCC[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257126100 1043872856 /nfs/dbraw/zinc/87/28/56/1043872856.db2.gz KMHTVFZARVGUEL-CVEARBPZSA-N 2 2 382.574 3.734 20 0 GHADLP CC[C@H]1C[C@@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)CCN1C(=O)OC(C)(C)C ZINC001257141677 1043890830 /nfs/dbraw/zinc/89/08/30/1043890830.db2.gz JNPRARMIRGUTIR-HKUYNNGSSA-N 2 2 388.556 3.818 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](C4CC[NH+](C(C)C)CC4)CC3)C2)cc1 ZINC001257216506 1043939911 /nfs/dbraw/zinc/93/99/11/1043939911.db2.gz MGGWKULBYZNHKC-UHFFFAOYSA-N 3 2 385.596 3.535 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C4CC[NH+](C(C)C)CC4)CC3)C2)cc1 ZINC001257216506 1043939919 /nfs/dbraw/zinc/93/99/19/1043939919.db2.gz MGGWKULBYZNHKC-UHFFFAOYSA-N 3 2 385.596 3.535 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](C3CCC(OCc4ccccc4)CC3)CC2)c1 ZINC001257834311 1044211129 /nfs/dbraw/zinc/21/11/29/1044211129.db2.gz FQGKJFLWWKGKON-UHFFFAOYSA-N 2 2 381.520 3.740 20 0 GHADLP FC1(F)CC[N@@H+](C2CCC3(COC3)CC2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001257907827 1044255777 /nfs/dbraw/zinc/25/57/77/1044255777.db2.gz SAVZRNJGWWJHFY-NRFANRHFSA-N 2 2 391.506 3.574 20 0 GHADLP FC1(F)CC[N@H+](C2CCC3(COC3)CC2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001257907827 1044255791 /nfs/dbraw/zinc/25/57/91/1044255791.db2.gz SAVZRNJGWWJHFY-NRFANRHFSA-N 2 2 391.506 3.574 20 0 GHADLP FC1(F)CC[NH+](C2CCC3(COC3)CC2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001257907827 1044255800 /nfs/dbraw/zinc/25/58/00/1044255800.db2.gz SAVZRNJGWWJHFY-NRFANRHFSA-N 2 2 391.506 3.574 20 0 GHADLP FC1(F)CC[NH+](C2CCC3(COC3)CC2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001257907827 1044255805 /nfs/dbraw/zinc/25/58/05/1044255805.db2.gz SAVZRNJGWWJHFY-NRFANRHFSA-N 2 2 391.506 3.574 20 0 GHADLP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001258306601 1044499199 /nfs/dbraw/zinc/49/91/99/1044499199.db2.gz LPWKDNPODIEPCW-XIRDDKMYSA-N 2 2 397.585 3.606 20 0 GHADLP COc1ccc(CC[C@H](C)[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001258401550 1044536915 /nfs/dbraw/zinc/53/69/15/1044536915.db2.gz NEEXSEGLPKXTHS-PMOQBDJRSA-N 2 2 379.548 3.865 20 0 GHADLP COc1ccc(CC[C@H](C)[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001258401550 1044536929 /nfs/dbraw/zinc/53/69/29/1044536929.db2.gz NEEXSEGLPKXTHS-PMOQBDJRSA-N 2 2 379.548 3.865 20 0 GHADLP COc1ccc(CC[C@H](C)[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001258401550 1044536941 /nfs/dbraw/zinc/53/69/41/1044536941.db2.gz NEEXSEGLPKXTHS-PMOQBDJRSA-N 2 2 379.548 3.865 20 0 GHADLP COc1ccc(CC[C@H](C)[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001258401550 1044536959 /nfs/dbraw/zinc/53/69/59/1044536959.db2.gz NEEXSEGLPKXTHS-PMOQBDJRSA-N 2 2 379.548 3.865 20 0 GHADLP COc1ccc(C[NH+]2CCC([NH2+]C3CCN(c4ccccc4)CC3)CC2)cc1 ZINC001258500990 1044583943 /nfs/dbraw/zinc/58/39/43/1044583943.db2.gz JVTKCJHALKZBTB-UHFFFAOYSA-N 2 2 379.548 3.918 20 0 GHADLP CC1(C)COC2(CCC([NH2+][C@@H](Cc3ccccc3)C[NH+]3CCCC3)CC2)OC1 ZINC001258520509 1044597652 /nfs/dbraw/zinc/59/76/52/1044597652.db2.gz YDYYEYSRYMGKMP-QFIPXVFZSA-N 2 2 386.580 3.995 20 0 GHADLP CCC[NH+]1CCC([NH2+]Cc2cncn2Cc2ccccc2C(F)(F)F)CC1 ZINC001258770188 1044757622 /nfs/dbraw/zinc/75/76/22/1044757622.db2.gz UDBBYYTUVGMCRI-UHFFFAOYSA-N 2 2 380.458 3.914 20 0 GHADLP C[C@@H](C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@@H]([NH3+])c1ccccc1 ZINC001261502748 1046012424 /nfs/dbraw/zinc/01/24/24/1046012424.db2.gz XDSWUOYZDRWXPU-OPAMFIHVSA-N 2 2 391.519 3.823 20 0 GHADLP COC(=O)C[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cccc(Br)c1 ZINC000589206433 1047167932 /nfs/dbraw/zinc/16/79/32/1047167932.db2.gz YRZKGDGNRARJCI-QGZVFWFLSA-N 2 2 383.330 3.516 20 0 GHADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c(Cl)cccc1C(F)(F)F ZINC001279143104 1047730218 /nfs/dbraw/zinc/73/02/18/1047730218.db2.gz KPVRLWZARPOHQN-IRXDYDNUSA-N 2 2 375.866 3.569 20 0 GHADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c(Cl)cccc1C(F)(F)F ZINC001279143104 1047730224 /nfs/dbraw/zinc/73/02/24/1047730224.db2.gz KPVRLWZARPOHQN-IRXDYDNUSA-N 2 2 375.866 3.569 20 0 GHADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3cc(F)c(F)cc3Cl)C2)C1 ZINC001279249627 1047748644 /nfs/dbraw/zinc/74/86/44/1047748644.db2.gz RNAKUDQBXAQVBD-FQEVSTJZSA-N 2 2 385.930 3.858 20 0 GHADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3cc(F)c(F)cc3Cl)C2)C1 ZINC001279249627 1047748646 /nfs/dbraw/zinc/74/86/46/1047748646.db2.gz RNAKUDQBXAQVBD-FQEVSTJZSA-N 2 2 385.930 3.858 20 0 GHADLP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)cc3F)CC2)C1 ZINC001279400863 1047794578 /nfs/dbraw/zinc/79/45/78/1047794578.db2.gz OLEPWRGVMMIXGX-UHFFFAOYSA-N 2 2 384.923 3.778 20 0 GHADLP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)cc3F)CC2)C1 ZINC001279400863 1047794587 /nfs/dbraw/zinc/79/45/87/1047794587.db2.gz OLEPWRGVMMIXGX-UHFFFAOYSA-N 2 2 384.923 3.778 20 0 GHADLP Cc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c(Br)c1 ZINC001279420013 1047799462 /nfs/dbraw/zinc/79/94/62/1047799462.db2.gz YDWUOUBHRIGIKC-UXHICEINSA-N 2 2 394.401 3.844 20 0 GHADLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1c(F)ccc(F)c1F)CC2 ZINC001279434393 1047805147 /nfs/dbraw/zinc/80/51/47/1047805147.db2.gz KJEWEXFQYHAUOT-UHFFFAOYSA-N 2 2 381.467 3.967 20 0 GHADLP Cc1csc(C[N@@H+]2CCC[C@]3(CC[NH+](CCn4ccnc4)C3)C2)c1Cl ZINC001279658028 1047901086 /nfs/dbraw/zinc/90/10/86/1047901086.db2.gz UAMDRWXKZKTZCT-LJQANCHMSA-N 2 2 378.973 3.895 20 0 GHADLP Cc1csc(C[N@H+]2CCC[C@]3(CC[NH+](CCn4ccnc4)C3)C2)c1Cl ZINC001279658028 1047901090 /nfs/dbraw/zinc/90/10/90/1047901090.db2.gz UAMDRWXKZKTZCT-LJQANCHMSA-N 2 2 378.973 3.895 20 0 GHADLP Cc1csc(C[NH+]2CCC[C@]3(CC[N@H+](CCn4ccnc4)C3)C2)c1Cl ZINC001279658028 1047901091 /nfs/dbraw/zinc/90/10/91/1047901091.db2.gz UAMDRWXKZKTZCT-LJQANCHMSA-N 2 2 378.973 3.895 20 0 GHADLP Cc1csc(C[NH+]2CCC[C@]3(CC[N@@H+](CCn4ccnc4)C3)C2)c1Cl ZINC001279658028 1047901094 /nfs/dbraw/zinc/90/10/94/1047901094.db2.gz UAMDRWXKZKTZCT-LJQANCHMSA-N 2 2 378.973 3.895 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCCO2 ZINC001307947332 1049716013 /nfs/dbraw/zinc/71/60/13/1049716013.db2.gz KUGVDKZNMKWPFH-CVDCTZTESA-N 2 2 380.532 3.953 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCCO2 ZINC001307947332 1049716020 /nfs/dbraw/zinc/71/60/20/1049716020.db2.gz KUGVDKZNMKWPFH-CVDCTZTESA-N 2 2 380.532 3.953 20 0 GHADLP Cc1nn(C(C)C)c(C)c1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001308208063 1049913005 /nfs/dbraw/zinc/91/30/05/1049913005.db2.gz SRPVCIIIGXPNAH-UHFFFAOYSA-N 2 2 397.611 3.768 20 0 GHADLP Cc1ccc(Br)c(F)c1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC001308331394 1049950457 /nfs/dbraw/zinc/95/04/57/1049950457.db2.gz VRIOEGSVDQNSDU-MSOLQXFVSA-N 2 2 399.348 3.754 20 0 GHADLP Cc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1Br ZINC001308330229 1049950533 /nfs/dbraw/zinc/95/05/33/1049950533.db2.gz JNBSGLYDEQZOLA-ZWKOTPCHSA-N 2 2 381.358 3.615 20 0 GHADLP CCc1[nH]c(C[N@H+](CC)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1C(=O)OC ZINC001308575004 1050015700 /nfs/dbraw/zinc/01/57/00/1050015700.db2.gz HRUXOUNTNXAYDU-LJQANCHMSA-N 2 2 383.536 3.708 20 0 GHADLP CCc1[nH]c(C[N@@H+](CC)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1C(=O)OC ZINC001308575004 1050015704 /nfs/dbraw/zinc/01/57/04/1050015704.db2.gz HRUXOUNTNXAYDU-LJQANCHMSA-N 2 2 383.536 3.708 20 0 GHADLP CCc1[nH]c(C[NH+](CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C(=O)OC ZINC001308575004 1050015706 /nfs/dbraw/zinc/01/57/06/1050015706.db2.gz HRUXOUNTNXAYDU-LJQANCHMSA-N 2 2 383.536 3.708 20 0 GHADLP CCc1[nH]c(C[NH+](CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C(=O)OC ZINC001308575004 1050015711 /nfs/dbraw/zinc/01/57/11/1050015711.db2.gz HRUXOUNTNXAYDU-LJQANCHMSA-N 2 2 383.536 3.708 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001308584556 1050019807 /nfs/dbraw/zinc/01/98/07/1050019807.db2.gz JOIWBCYPOBTKNO-INIZCTEOSA-N 2 2 391.357 3.717 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001308584556 1050019812 /nfs/dbraw/zinc/01/98/12/1050019812.db2.gz JOIWBCYPOBTKNO-INIZCTEOSA-N 2 2 391.357 3.717 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC001308584556 1050019819 /nfs/dbraw/zinc/01/98/19/1050019819.db2.gz JOIWBCYPOBTKNO-INIZCTEOSA-N 2 2 391.357 3.717 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC001308584556 1050019826 /nfs/dbraw/zinc/01/98/26/1050019826.db2.gz JOIWBCYPOBTKNO-INIZCTEOSA-N 2 2 391.357 3.717 20 0 GHADLP c1ccc(CC2CC[NH+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001308647613 1050046535 /nfs/dbraw/zinc/04/65/35/1050046535.db2.gz RYGKCMYBHNHITA-UHFFFAOYSA-N 2 2 394.559 3.852 20 0 GHADLP C[C@H]1CN(c2ccccc2C[NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC001308709644 1050066692 /nfs/dbraw/zinc/06/66/92/1050066692.db2.gz PMQRKWMPDFOLEF-NBGIEHNGSA-N 2 2 393.575 3.912 20 0 GHADLP C[C@H]1CN(c2ccccc2C[NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001308709644 1050066694 /nfs/dbraw/zinc/06/66/94/1050066694.db2.gz PMQRKWMPDFOLEF-NBGIEHNGSA-N 2 2 393.575 3.912 20 0 GHADLP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001308963879 1050226423 /nfs/dbraw/zinc/22/64/23/1050226423.db2.gz SEMLJYVQLGNXGI-GMHONNGPSA-N 2 2 391.559 3.692 20 0 GHADLP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001308963879 1050226431 /nfs/dbraw/zinc/22/64/31/1050226431.db2.gz SEMLJYVQLGNXGI-GMHONNGPSA-N 2 2 391.559 3.692 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001329741302 1050899665 /nfs/dbraw/zinc/89/96/65/1050899665.db2.gz RVDFIZYKKKFSFN-WKILWMFISA-N 2 2 399.495 3.598 20 0 GHADLP Cc1nc(CC(F)(F)F)sc1CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001331914484 1051412191 /nfs/dbraw/zinc/41/21/91/1051412191.db2.gz FMVDLNVVKDDADZ-UHFFFAOYSA-N 2 2 395.410 3.627 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@H](O)c2ccccc2Br)[nH+]1 ZINC001335414052 1052095027 /nfs/dbraw/zinc/09/50/27/1052095027.db2.gz VGGINUVZHANKGG-QAPCUYQASA-N 2 2 390.325 3.762 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@H](O)c2ccccc2Br)[nH+]1 ZINC001335414052 1052095038 /nfs/dbraw/zinc/09/50/38/1052095038.db2.gz VGGINUVZHANKGG-QAPCUYQASA-N 2 2 390.325 3.762 20 0 GHADLP C[N@H+](CCCNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)C1CCCCC1 ZINC001311399752 1052099056 /nfs/dbraw/zinc/09/90/56/1052099056.db2.gz HWOBAZCUSWMTEK-WQLSENKSSA-N 2 2 398.595 3.682 20 0 GHADLP C[N@@H+](CCCNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)C1CCCCC1 ZINC001311399752 1052099065 /nfs/dbraw/zinc/09/90/65/1052099065.db2.gz HWOBAZCUSWMTEK-WQLSENKSSA-N 2 2 398.595 3.682 20 0 GHADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001312053833 1052549625 /nfs/dbraw/zinc/54/96/25/1052549625.db2.gz CKCVJBPDPUOOKY-IRLDBZIGSA-N 2 2 397.567 3.805 20 0 GHADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001312053833 1052549629 /nfs/dbraw/zinc/54/96/29/1052549629.db2.gz CKCVJBPDPUOOKY-IRLDBZIGSA-N 2 2 397.567 3.805 20 0 GHADLP C[C@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC001313164009 1052973797 /nfs/dbraw/zinc/97/37/97/1052973797.db2.gz IQHBFEMNVAZKOT-KSEOMHKRSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@H]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC001313164009 1052973799 /nfs/dbraw/zinc/97/37/99/1052973799.db2.gz IQHBFEMNVAZKOT-KSEOMHKRSA-N 2 2 395.551 3.530 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC[NH+]2CCc3sccc3C2)c1 ZINC001318394758 1054609574 /nfs/dbraw/zinc/60/95/74/1054609574.db2.gz MMUPZUWGXGQNJK-NRFANRHFSA-N 2 2 397.588 3.586 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCC[NH+]2CCc3sccc3C2)c1 ZINC001318394758 1054609577 /nfs/dbraw/zinc/60/95/77/1054609577.db2.gz MMUPZUWGXGQNJK-NRFANRHFSA-N 2 2 397.588 3.586 20 0 GHADLP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC001318394758 1054609581 /nfs/dbraw/zinc/60/95/81/1054609581.db2.gz MMUPZUWGXGQNJK-NRFANRHFSA-N 2 2 397.588 3.586 20 0 GHADLP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC001318394758 1054609585 /nfs/dbraw/zinc/60/95/85/1054609585.db2.gz MMUPZUWGXGQNJK-NRFANRHFSA-N 2 2 397.588 3.586 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 ZINC001318682537 1054794167 /nfs/dbraw/zinc/79/41/67/1054794167.db2.gz UVJMTWHNHZKERO-UHFFFAOYSA-N 2 2 391.475 3.604 20 0 GHADLP CN1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCCOc4ccc(F)cc43)c2)CC1 ZINC001319206712 1055095416 /nfs/dbraw/zinc/09/54/16/1055095416.db2.gz HTPOFIHZKHUFFG-QFIPXVFZSA-N 2 2 383.511 3.577 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(OC(F)F)cc3OC(F)F)CC[C@@H]21 ZINC001319729753 1055428478 /nfs/dbraw/zinc/42/84/78/1055428478.db2.gz ZRESCLNREUTAFQ-WFASDCNBSA-N 2 2 376.394 3.806 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(OC(F)F)cc3OC(F)F)CC[C@@H]21 ZINC001319729753 1055428485 /nfs/dbraw/zinc/42/84/85/1055428485.db2.gz ZRESCLNREUTAFQ-WFASDCNBSA-N 2 2 376.394 3.806 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(OC(F)F)cc3OC(F)F)CC[C@@H]21 ZINC001319729753 1055428492 /nfs/dbraw/zinc/42/84/92/1055428492.db2.gz ZRESCLNREUTAFQ-WFASDCNBSA-N 2 2 376.394 3.806 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3OC(F)F)CC[C@@H]21 ZINC001319729753 1055428497 /nfs/dbraw/zinc/42/84/97/1055428497.db2.gz ZRESCLNREUTAFQ-WFASDCNBSA-N 2 2 376.394 3.806 20 0 GHADLP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001321730197 1056376176 /nfs/dbraw/zinc/37/61/76/1056376176.db2.gz GPHICRABFMDGFO-JOCHJYFZSA-N 2 2 378.520 3.671 20 0 GHADLP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001321730197 1056376195 /nfs/dbraw/zinc/37/61/95/1056376195.db2.gz GPHICRABFMDGFO-JOCHJYFZSA-N 2 2 378.520 3.671 20 0 GHADLP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001321730198 1056377073 /nfs/dbraw/zinc/37/70/73/1056377073.db2.gz GPHICRABFMDGFO-QFIPXVFZSA-N 2 2 378.520 3.671 20 0 GHADLP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001321730198 1056377089 /nfs/dbraw/zinc/37/70/89/1056377089.db2.gz GPHICRABFMDGFO-QFIPXVFZSA-N 2 2 378.520 3.671 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCN(C(=O)OC(C)(C)C)C(C)C ZINC001321830909 1056412735 /nfs/dbraw/zinc/41/27/35/1056412735.db2.gz AZWCYBUZQFGUGY-UHFFFAOYSA-N 2 2 387.484 3.550 20 0 GHADLP Clc1cc(Br)ccc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001200623206 1056513482 /nfs/dbraw/zinc/51/34/82/1056513482.db2.gz WNKKJERDGXMDHS-CYBMUJFWSA-N 2 2 387.749 3.693 20 0 GHADLP C[C@@](O)(C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1cccs1 ZINC001200646725 1056585574 /nfs/dbraw/zinc/58/55/74/1056585574.db2.gz HWFCIQYGDIPNAX-LJQANCHMSA-N 2 2 391.924 3.674 20 0 GHADLP CN(C)c1ccccc1C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001200673358 1056686094 /nfs/dbraw/zinc/68/60/94/1056686094.db2.gz ZRYRQKVLLLQJGG-UHFFFAOYSA-N 2 2 384.911 3.971 20 0 GHADLP CC[NH+](CC)Cc1ccc(-c2nnc(-c3cccc(C[NH+]4CCOCC4)c3)o2)o1 ZINC001322502271 1056733326 /nfs/dbraw/zinc/73/33/26/1056733326.db2.gz JFJGMMOBGKWPFM-UHFFFAOYSA-N 2 2 396.491 3.671 20 0 GHADLP c1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccc3c(c2)CCCO3)cc1 ZINC000848534720 1057157257 /nfs/dbraw/zinc/15/72/57/1057157257.db2.gz UTDVYEIDFUKZSY-ZCYQVOJMSA-N 2 2 392.543 3.944 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC001326429065 1057481731 /nfs/dbraw/zinc/48/17/31/1057481731.db2.gz AWYDRXLYLWYJFJ-LJQANCHMSA-N 2 2 392.503 3.560 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC001326429065 1057481737 /nfs/dbraw/zinc/48/17/37/1057481737.db2.gz AWYDRXLYLWYJFJ-LJQANCHMSA-N 2 2 392.503 3.560 20 0 GHADLP CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001356371037 1057491842 /nfs/dbraw/zinc/49/18/42/1057491842.db2.gz BAJSJQFCVDMGPA-PZJWPPBQSA-N 2 2 396.583 3.556 20 0 GHADLP CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001356371037 1057491847 /nfs/dbraw/zinc/49/18/47/1057491847.db2.gz BAJSJQFCVDMGPA-PZJWPPBQSA-N 2 2 396.583 3.556 20 0 GHADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001338243432 1058472338 /nfs/dbraw/zinc/47/23/38/1058472338.db2.gz JOPSNRMGSQTIPX-NPDDRXJXSA-N 2 2 392.632 3.505 20 0 GHADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001338243432 1058472354 /nfs/dbraw/zinc/47/23/54/1058472354.db2.gz JOPSNRMGSQTIPX-NPDDRXJXSA-N 2 2 392.632 3.505 20 0 GHADLP CC[C@H](CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC001441234065 1058728681 /nfs/dbraw/zinc/72/86/81/1058728681.db2.gz BTZRSNKLLRABBZ-FGZHOGPDSA-N 2 2 399.966 3.896 20 0 GHADLP CC[C@H](CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC001441234065 1058728698 /nfs/dbraw/zinc/72/86/98/1058728698.db2.gz BTZRSNKLLRABBZ-FGZHOGPDSA-N 2 2 399.966 3.896 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)[NH+]1CCCC[C@H]1C ZINC001441485877 1058794013 /nfs/dbraw/zinc/79/40/13/1058794013.db2.gz FROCTJZPXRHUQI-LQWHRVPQSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)[NH+]1CCCC[C@H]1C ZINC001441485877 1058794027 /nfs/dbraw/zinc/79/40/27/1058794027.db2.gz FROCTJZPXRHUQI-LQWHRVPQSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1)[N@@H+]1CCCC[C@H]1C ZINC001441485877 1058794037 /nfs/dbraw/zinc/79/40/37/1058794037.db2.gz FROCTJZPXRHUQI-LQWHRVPQSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1)[N@H+]1CCCC[C@H]1C ZINC001441485877 1058794055 /nfs/dbraw/zinc/79/40/55/1058794055.db2.gz FROCTJZPXRHUQI-LQWHRVPQSA-N 2 2 375.532 3.559 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cnn(-c2ccccc2Cl)c1C ZINC001339095888 1058957749 /nfs/dbraw/zinc/95/77/49/1058957749.db2.gz WHSHGTQVMSRJJC-UHFFFAOYSA-N 2 2 392.850 3.976 20 0 GHADLP CC[N@H+](CC(=O)N(CC[NH+](C)C)Cc1cccs1)Cc1ccccc1Cl ZINC001445362626 1059513159 /nfs/dbraw/zinc/51/31/59/1059513159.db2.gz ASKSNEZCVCVYAV-UHFFFAOYSA-N 2 2 393.984 3.814 20 0 GHADLP CC[N@@H+](CC(=O)N(CC[NH+](C)C)Cc1cccs1)Cc1ccccc1Cl ZINC001445362626 1059513176 /nfs/dbraw/zinc/51/31/76/1059513176.db2.gz ASKSNEZCVCVYAV-UHFFFAOYSA-N 2 2 393.984 3.814 20 0 GHADLP CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)[NH+](C)Cc3ccccc3)n2CC)C1 ZINC001340907374 1060238306 /nfs/dbraw/zinc/23/83/06/1060238306.db2.gz ZQDRIJCVKKCYEM-TZIWHRDSSA-N 2 2 398.599 3.659 20 0 GHADLP CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)[NH+](C)Cc3ccccc3)n2CC)C1 ZINC001340907374 1060238350 /nfs/dbraw/zinc/23/83/50/1060238350.db2.gz ZQDRIJCVKKCYEM-TZIWHRDSSA-N 2 2 398.599 3.659 20 0 GHADLP CCC[NH+](C)C[C@H]1CCN(c2nnc([C@@H](C)[N@H+](C)Cc3ccccc3)n2CC)C1 ZINC001340907374 1060238371 /nfs/dbraw/zinc/23/83/71/1060238371.db2.gz ZQDRIJCVKKCYEM-TZIWHRDSSA-N 2 2 398.599 3.659 20 0 GHADLP CCC[NH+](C)C[C@H]1CCN(c2nnc([C@@H](C)[N@@H+](C)Cc3ccccc3)n2CC)C1 ZINC001340907374 1060238391 /nfs/dbraw/zinc/23/83/91/1060238391.db2.gz ZQDRIJCVKKCYEM-TZIWHRDSSA-N 2 2 398.599 3.659 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)o2)[C@H]1c1ccc(F)cc1 ZINC001545813805 1062018342 /nfs/dbraw/zinc/01/83/42/1062018342.db2.gz OVCMZFYOCZABBK-PZJWPPBQSA-N 2 2 385.483 3.580 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)o2)[C@H]1c1ccc(F)cc1 ZINC001545813805 1062018363 /nfs/dbraw/zinc/01/83/63/1062018363.db2.gz OVCMZFYOCZABBK-PZJWPPBQSA-N 2 2 385.483 3.580 20 0 GHADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC001460016960 1064348489 /nfs/dbraw/zinc/34/84/89/1064348489.db2.gz NGKMLAZQHZRKTD-OAHLLOKOSA-N 2 2 392.437 3.547 20 0 GHADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC001460016960 1064348502 /nfs/dbraw/zinc/34/85/02/1064348502.db2.gz NGKMLAZQHZRKTD-OAHLLOKOSA-N 2 2 392.437 3.547 20 0 GHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)CC2)cc1 ZINC001463908359 1064709931 /nfs/dbraw/zinc/70/99/31/1064709931.db2.gz UAMXTLUENABYJC-QFIPXVFZSA-N 2 2 399.966 3.986 20 0 GHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)CC2)cc1 ZINC001463908359 1064709940 /nfs/dbraw/zinc/70/99/40/1064709940.db2.gz UAMXTLUENABYJC-QFIPXVFZSA-N 2 2 399.966 3.986 20 0 GHADLP CCCCOc1ccccc1C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001200046310 1065067367 /nfs/dbraw/zinc/06/73/67/1065067367.db2.gz MCGDWJKJCUHPSD-UHFFFAOYSA-N 2 2 381.564 3.903 20 0 GHADLP CCCN(CC[NH+](CC)CC)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001470318130 1068680003 /nfs/dbraw/zinc/68/00/03/1068680003.db2.gz MDOZPLYCXQZZSW-UHFFFAOYSA-N 2 2 391.947 3.789 20 0 GHADLP CC(C)(C)CN1CCC[C@H]([N@@H+]2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001460637319 1069046993 /nfs/dbraw/zinc/04/69/93/1069046993.db2.gz IMLGSKVTGGRUMV-GVXSCFBNSA-N 2 2 397.607 3.868 20 0 GHADLP CC(C)(C)CN1CCC[C@H]([N@H+]2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001460637319 1069047007 /nfs/dbraw/zinc/04/70/07/1069047007.db2.gz IMLGSKVTGGRUMV-GVXSCFBNSA-N 2 2 397.607 3.868 20 0 GHADLP CC(C)(C)CN1CCC[C@H]([NH+]2C[C@@]3(C)C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001460637319 1069047020 /nfs/dbraw/zinc/04/70/20/1069047020.db2.gz IMLGSKVTGGRUMV-GVXSCFBNSA-N 2 2 397.607 3.868 20 0 GHADLP CC(C)(C)CN1CCC[C@H]([NH+]2C[C@@]3(C)C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001460637319 1069047034 /nfs/dbraw/zinc/04/70/34/1069047034.db2.gz IMLGSKVTGGRUMV-GVXSCFBNSA-N 2 2 397.607 3.868 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCc3ccc(-c4ccccc4)o3)c2)CC1 ZINC001471048634 1072904539 /nfs/dbraw/zinc/90/45/39/1072904539.db2.gz PZVNAWQUQVRPKU-UHFFFAOYSA-N 2 2 390.487 3.665 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3[C@@H]4CC[C@H]3CC(C)C4)CC2)cc1 ZINC001473657198 1074070975 /nfs/dbraw/zinc/07/09/75/1074070975.db2.gz HKBBQOQHBASDAB-VKGMXUHCSA-N 2 2 383.580 3.717 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3[C@@H]4CC[C@H]3CC(C)C4)CC2)cc1 ZINC001473657198 1074070977 /nfs/dbraw/zinc/07/09/77/1074070977.db2.gz HKBBQOQHBASDAB-VKGMXUHCSA-N 2 2 383.580 3.717 20 0 GHADLP C[C@]12C[NH+](CCOCC(F)(F)C(F)F)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001473718402 1074105259 /nfs/dbraw/zinc/10/52/59/1074105259.db2.gz JTPKZRRKLWKSEX-RTBURBONSA-N 2 2 388.449 3.747 20 0 GHADLP C[C@](CO)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Br)c1 ZINC001473866652 1074181596 /nfs/dbraw/zinc/18/15/96/1074181596.db2.gz ZTFOKWXFJNUKPZ-LJQANCHMSA-N 2 2 386.293 3.632 20 0 GHADLP Fc1c(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cccc1OC1CC1 ZINC001473928281 1074207294 /nfs/dbraw/zinc/20/72/94/1074207294.db2.gz IGRNRKFLNBOZHU-UHFFFAOYSA-N 2 2 383.511 3.669 20 0 GHADLP COc1nc(Cl)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)n1C ZINC001473932247 1074208951 /nfs/dbraw/zinc/20/89/51/1074208951.db2.gz XRIVKVBOUMVOFQ-OAHLLOKOSA-N 2 2 376.932 3.746 20 0 GHADLP COc1nc(Cl)c(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)n1C ZINC001473932247 1074208957 /nfs/dbraw/zinc/20/89/57/1074208957.db2.gz XRIVKVBOUMVOFQ-OAHLLOKOSA-N 2 2 376.932 3.746 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001473938970 1074212172 /nfs/dbraw/zinc/21/21/72/1074212172.db2.gz HLRPJPYNIKPXMV-UHFFFAOYSA-N 3 2 395.591 3.767 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001473938970 1074212180 /nfs/dbraw/zinc/21/21/80/1074212180.db2.gz HLRPJPYNIKPXMV-UHFFFAOYSA-N 3 2 395.591 3.767 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cnc([C@@H]4CCCO4)s3)c2)CCO1 ZINC001473955409 1074217029 /nfs/dbraw/zinc/21/70/29/1074217029.db2.gz ZRIWKZAZJHWJHO-UZLBHIALSA-N 2 2 387.549 3.505 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnc([C@@H]4CCCO4)s3)c2)CCO1 ZINC001473955409 1074217034 /nfs/dbraw/zinc/21/70/34/1074217034.db2.gz ZRIWKZAZJHWJHO-UZLBHIALSA-N 2 2 387.549 3.505 20 0 GHADLP O[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)COc1cccc(Cl)c1Cl ZINC001473962963 1074219389 /nfs/dbraw/zinc/21/93/89/1074219389.db2.gz CLJXKJRNDLZJMR-ZDUSSCGKSA-N 2 2 398.315 3.770 20 0 GHADLP COc1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc2ccccc21 ZINC001474018328 1074237621 /nfs/dbraw/zinc/23/76/21/1074237621.db2.gz IAVLHNMJSRWTPW-XMMPIXPASA-N 2 2 376.500 3.575 20 0 GHADLP COc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc2ccccc21 ZINC001474018328 1074237627 /nfs/dbraw/zinc/23/76/27/1074237627.db2.gz IAVLHNMJSRWTPW-XMMPIXPASA-N 2 2 376.500 3.575 20 0 GHADLP CCS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001474037921 1074244241 /nfs/dbraw/zinc/24/42/41/1074244241.db2.gz ISAOVKUQRFHQPY-PZJWPPBQSA-N 2 2 378.582 3.552 20 0 GHADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)C1 ZINC001474103299 1074264715 /nfs/dbraw/zinc/26/47/15/1074264715.db2.gz RKCKCCKGIATFFO-LJQANCHMSA-N 2 2 382.838 3.567 20 0 GHADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)C1 ZINC001474103299 1074264720 /nfs/dbraw/zinc/26/47/20/1074264720.db2.gz RKCKCCKGIATFFO-LJQANCHMSA-N 2 2 382.838 3.567 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCCC1)c1ccccc1 ZINC000736134980 598887058 /nfs/dbraw/zinc/88/70/58/598887058.db2.gz XMGWZONHZCPJQB-KRWDZBQOSA-N 2 2 376.508 3.620 20 0 GHADLP CCC(CC)(C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000736333686 598887259 /nfs/dbraw/zinc/88/72/59/598887259.db2.gz BNZUICRCQVJQOT-KRWDZBQOSA-N 2 2 378.524 3.866 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824578337 609331748 /nfs/dbraw/zinc/33/17/48/609331748.db2.gz SSBFUHHRMJGJFF-FUHWJXTLSA-N 2 2 394.498 3.569 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824578337 609331750 /nfs/dbraw/zinc/33/17/50/609331750.db2.gz SSBFUHHRMJGJFF-FUHWJXTLSA-N 2 2 394.498 3.569 20 0 GHADLP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2cc[nH+]c(N3CCCCC3)n2)cc1 ZINC001164623397 719096565 /nfs/dbraw/zinc/09/65/65/719096565.db2.gz CTAAVTHFYKWWKP-SFTDATJTSA-N 2 2 377.536 3.568 20 0 GHADLP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2cc[nH+]c(N3CCCCC3)n2)cc1 ZINC001164623397 719096570 /nfs/dbraw/zinc/09/65/70/719096570.db2.gz CTAAVTHFYKWWKP-SFTDATJTSA-N 2 2 377.536 3.568 20 0 GHADLP Cc1c[nH+]c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1NC1CC1 ZINC001164792081 721489231 /nfs/dbraw/zinc/48/92/31/721489231.db2.gz GGCJYIXUKKSTNK-UHFFFAOYSA-N 2 2 392.551 3.635 20 0 GHADLP Cc1c[nH+]c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1NC1CC1 ZINC001164792081 721489233 /nfs/dbraw/zinc/48/92/33/721489233.db2.gz GGCJYIXUKKSTNK-UHFFFAOYSA-N 2 2 392.551 3.635 20 0 GHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972516 722119993 /nfs/dbraw/zinc/11/99/93/722119993.db2.gz FTHLYEDZTVQHLL-NZQKXSOJSA-N 2 2 388.515 3.666 20 0 GHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972516 722119994 /nfs/dbraw/zinc/11/99/94/722119994.db2.gz FTHLYEDZTVQHLL-NZQKXSOJSA-N 2 2 388.515 3.666 20 0 GHADLP Cc1ccc(C(=O)Nc2cccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c2)cc1 ZINC000655698051 837689616 /nfs/dbraw/zinc/68/96/16/837689616.db2.gz VGNVUJRCFYFSNI-HSZRJFAPSA-N 2 2 393.531 3.590 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)CCCC1)c1ccccc1 ZINC000583497931 834497631 /nfs/dbraw/zinc/49/76/31/834497631.db2.gz PEZUWXFUSQEIAI-FOIQADDNSA-N 2 2 387.474 3.744 20 0 GHADLP CN(C(=O)CCc1c(Cl)cccc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654773981 834542206 /nfs/dbraw/zinc/54/22/06/834542206.db2.gz PSBSEACSQIWTNJ-INIZCTEOSA-N 2 2 398.378 3.553 20 0 GHADLP CN(C(=O)CCc1c(Cl)cccc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654773981 834542210 /nfs/dbraw/zinc/54/22/10/834542210.db2.gz PSBSEACSQIWTNJ-INIZCTEOSA-N 2 2 398.378 3.553 20 0 GHADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548798019 834551904 /nfs/dbraw/zinc/55/19/04/834551904.db2.gz GZLQJMJUKOETGO-LAUBAEHRSA-N 2 2 396.535 3.825 20 0 GHADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548798019 834551907 /nfs/dbraw/zinc/55/19/07/834551907.db2.gz GZLQJMJUKOETGO-LAUBAEHRSA-N 2 2 396.535 3.825 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(OC)c1O ZINC000583526356 834570821 /nfs/dbraw/zinc/57/08/21/834570821.db2.gz IENOKJYZBHHYIA-HSZRJFAPSA-N 2 2 382.504 3.507 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(OC)c1O ZINC000583526356 834570828 /nfs/dbraw/zinc/57/08/28/834570828.db2.gz IENOKJYZBHHYIA-HSZRJFAPSA-N 2 2 382.504 3.507 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(OC)c1O ZINC000583526356 834570832 /nfs/dbraw/zinc/57/08/32/834570832.db2.gz IENOKJYZBHHYIA-HSZRJFAPSA-N 2 2 382.504 3.507 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc(OC)c1O ZINC000583526356 834570838 /nfs/dbraw/zinc/57/08/38/834570838.db2.gz IENOKJYZBHHYIA-HSZRJFAPSA-N 2 2 382.504 3.507 20 0 GHADLP COc1cccc(-c2n[nH]cc2C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000685459585 835033917 /nfs/dbraw/zinc/03/39/17/835033917.db2.gz NETXTEBJPPNXGM-UHFFFAOYSA-N 2 2 379.508 3.974 20 0 GHADLP CC(C)[NH+](Cc1ccccn1)CC1(C[N@@H+](Cc2ccccn2)C(C)C)COC1 ZINC000543853092 835048383 /nfs/dbraw/zinc/04/83/83/835048383.db2.gz ZVOJXYLNUZZAJN-UHFFFAOYSA-N 2 2 382.552 3.614 20 0 GHADLP CC(C)[NH+](Cc1ccccn1)CC1(C[N@H+](Cc2ccccn2)C(C)C)COC1 ZINC000543853092 835048392 /nfs/dbraw/zinc/04/83/92/835048392.db2.gz ZVOJXYLNUZZAJN-UHFFFAOYSA-N 2 2 382.552 3.614 20 0 GHADLP CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000583884194 835201383 /nfs/dbraw/zinc/20/13/83/835201383.db2.gz FKLMTBLUXFRNBN-WIYYLYMNSA-N 2 2 394.563 3.839 20 0 GHADLP CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000583884194 835201388 /nfs/dbraw/zinc/20/13/88/835201388.db2.gz FKLMTBLUXFRNBN-WIYYLYMNSA-N 2 2 394.563 3.839 20 0 GHADLP O=C(C[N@@H+]1CCCCC[C@@H]1c1ccco1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000097592430 835311993 /nfs/dbraw/zinc/31/19/93/835311993.db2.gz DYEBWGHSFAVVPC-OAQYLSRUSA-N 2 2 397.519 3.668 20 0 GHADLP O=C(C[N@H+]1CCCCC[C@@H]1c1ccco1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000097592430 835312006 /nfs/dbraw/zinc/31/20/06/835312006.db2.gz DYEBWGHSFAVVPC-OAQYLSRUSA-N 2 2 397.519 3.668 20 0 GHADLP COc1ccccc1-c1ncc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000430241790 835348761 /nfs/dbraw/zinc/34/87/61/835348761.db2.gz OLUJPBFCLZOLRH-RXVVDRJESA-N 2 2 378.520 3.601 20 0 GHADLP COc1ccccc1-c1ncc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000430241790 835348770 /nfs/dbraw/zinc/34/87/70/835348770.db2.gz OLUJPBFCLZOLRH-RXVVDRJESA-N 2 2 378.520 3.601 20 0 GHADLP COc1ccccc1-c1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000430241790 835348777 /nfs/dbraw/zinc/34/87/77/835348777.db2.gz OLUJPBFCLZOLRH-RXVVDRJESA-N 2 2 378.520 3.601 20 0 GHADLP COc1ccccc1-c1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000430241790 835348783 /nfs/dbraw/zinc/34/87/83/835348783.db2.gz OLUJPBFCLZOLRH-RXVVDRJESA-N 2 2 378.520 3.601 20 0 GHADLP Fc1cc(Br)ccc1[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000658296543 835561766 /nfs/dbraw/zinc/56/17/66/835561766.db2.gz UAUPZLJKMPOCMQ-APWZRJJASA-N 2 2 397.332 3.882 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000151829728 835888894 /nfs/dbraw/zinc/88/88/94/835888894.db2.gz PGIXUWRGKHOJAY-GHTZIAJQSA-N 2 2 383.540 3.518 20 0 GHADLP Cc1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc(OC(F)(F)F)c1 ZINC001143462851 836044936 /nfs/dbraw/zinc/04/49/36/836044936.db2.gz CEBOZZSSZHIXRS-KDURUIRLSA-N 2 2 391.437 3.852 20 0 GHADLP Cc1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc(OC(F)(F)F)c1 ZINC001143462851 836044947 /nfs/dbraw/zinc/04/49/47/836044947.db2.gz CEBOZZSSZHIXRS-KDURUIRLSA-N 2 2 391.437 3.852 20 0 GHADLP Cc1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc(OC(F)(F)F)c1 ZINC001143462851 836044956 /nfs/dbraw/zinc/04/49/56/836044956.db2.gz CEBOZZSSZHIXRS-KDURUIRLSA-N 2 2 391.437 3.852 20 0 GHADLP Cc1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc(OC(F)(F)F)c1 ZINC001143462851 836044962 /nfs/dbraw/zinc/04/49/62/836044962.db2.gz CEBOZZSSZHIXRS-KDURUIRLSA-N 2 2 391.437 3.852 20 0 GHADLP Brc1cccc(-c2c[nH]c(C[NH2+]CCC[NH+]3CCCCC3)n2)c1 ZINC000236576596 836204432 /nfs/dbraw/zinc/20/44/32/836204432.db2.gz MOSZHVVKENCPEH-UHFFFAOYSA-N 2 2 377.330 3.805 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000548931137 836254961 /nfs/dbraw/zinc/25/49/61/836254961.db2.gz HMKWYCAZQLNPOF-IBGZPJMESA-N 2 2 387.474 3.794 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000548931137 836254968 /nfs/dbraw/zinc/25/49/68/836254968.db2.gz HMKWYCAZQLNPOF-IBGZPJMESA-N 2 2 387.474 3.794 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1nnnn1-c1ccccc1 ZINC000173923689 836337428 /nfs/dbraw/zinc/33/74/28/836337428.db2.gz RIOHXHINLWYLMM-MOPGFXCFSA-N 2 2 390.535 3.888 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1nnnn1-c1ccccc1 ZINC000173923689 836337439 /nfs/dbraw/zinc/33/74/39/836337439.db2.gz RIOHXHINLWYLMM-MOPGFXCFSA-N 2 2 390.535 3.888 20 0 GHADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3nnc(-c4ccccc4)s3)CC2)C[C@H](C)O1 ZINC000155163219 836492260 /nfs/dbraw/zinc/49/22/60/836492260.db2.gz FMJCVUIBEYWCPP-IRXDYDNUSA-N 2 2 386.565 3.526 20 0 GHADLP COc1c(Br)cccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000579885780 836504953 /nfs/dbraw/zinc/50/49/53/836504953.db2.gz KOXVPHJIOPVYGP-UHFFFAOYSA-N 2 2 386.293 3.992 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1O ZINC000432885238 844197064 /nfs/dbraw/zinc/19/70/64/844197064.db2.gz KNJPVURNZCAMGL-SIKLNZKXSA-N 2 2 398.547 3.603 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1O ZINC000432885238 844197070 /nfs/dbraw/zinc/19/70/70/844197070.db2.gz KNJPVURNZCAMGL-SIKLNZKXSA-N 2 2 398.547 3.603 20 0 GHADLP C[C@H](CN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)[NH+]1CCCC[C@H]1C ZINC000511381764 836814134 /nfs/dbraw/zinc/81/41/34/836814134.db2.gz UHWBMEBOKUUHNF-DGQTTZFYSA-N 2 2 379.976 3.564 20 0 GHADLP C[C@H](CN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCC[C@H]1C ZINC000511381764 836814147 /nfs/dbraw/zinc/81/41/47/836814147.db2.gz UHWBMEBOKUUHNF-DGQTTZFYSA-N 2 2 379.976 3.564 20 0 GHADLP C[C@H](CN[C@@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1)[N@@H+]1CCCC[C@H]1C ZINC000511381764 836814162 /nfs/dbraw/zinc/81/41/62/836814162.db2.gz UHWBMEBOKUUHNF-DGQTTZFYSA-N 2 2 379.976 3.564 20 0 GHADLP C[C@H](CN[C@@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1)[N@H+]1CCCC[C@H]1C ZINC000511381764 836814173 /nfs/dbraw/zinc/81/41/73/836814173.db2.gz UHWBMEBOKUUHNF-DGQTTZFYSA-N 2 2 379.976 3.564 20 0 GHADLP CSc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)o1 ZINC000612959710 837018667 /nfs/dbraw/zinc/01/86/67/837018667.db2.gz MMLSOTMUXXUGHZ-RBUKOAKNSA-N 2 2 393.597 3.719 20 0 GHADLP CSc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)o1 ZINC000612959710 837018677 /nfs/dbraw/zinc/01/86/77/837018677.db2.gz MMLSOTMUXXUGHZ-RBUKOAKNSA-N 2 2 393.597 3.719 20 0 GHADLP O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000620736678 837058955 /nfs/dbraw/zinc/05/89/55/837058955.db2.gz GIWOQWLGLYHEDI-HSZRJFAPSA-N 2 2 388.515 3.716 20 0 GHADLP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000620736678 837058967 /nfs/dbraw/zinc/05/89/67/837058967.db2.gz GIWOQWLGLYHEDI-HSZRJFAPSA-N 2 2 388.515 3.716 20 0 GHADLP CN(CCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000162053309 837107004 /nfs/dbraw/zinc/10/70/04/837107004.db2.gz BOEBEWVOHHGXIQ-QHCPKHFHSA-N 3 2 378.649 3.525 20 0 GHADLP CN(CCC[NH+]1CCCCC1)[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000162053309 837107008 /nfs/dbraw/zinc/10/70/08/837107008.db2.gz BOEBEWVOHHGXIQ-QHCPKHFHSA-N 3 2 378.649 3.525 20 0 GHADLP CCc1nc(C[NH+]2CCC(CNc3cc[nH+]cc3Br)CC2)cs1 ZINC000547826149 837158038 /nfs/dbraw/zinc/15/80/38/837158038.db2.gz NVMOUIRGGWGCSS-UHFFFAOYSA-N 2 2 395.370 3.609 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(OC)c1OC ZINC000685850930 837304464 /nfs/dbraw/zinc/30/44/64/837304464.db2.gz OHCZDEYJXXSQTA-PZJWPPBQSA-N 2 2 396.531 3.666 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(OC)c1OC ZINC000685850930 837304473 /nfs/dbraw/zinc/30/44/73/837304473.db2.gz OHCZDEYJXXSQTA-PZJWPPBQSA-N 2 2 396.531 3.666 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(OC)c1OC ZINC000685850930 837304479 /nfs/dbraw/zinc/30/44/79/837304479.db2.gz OHCZDEYJXXSQTA-PZJWPPBQSA-N 2 2 396.531 3.666 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(OC)c1OC ZINC000685850930 837304487 /nfs/dbraw/zinc/30/44/87/837304487.db2.gz OHCZDEYJXXSQTA-PZJWPPBQSA-N 2 2 396.531 3.666 20 0 GHADLP Brc1cccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CCOCC2)c1 ZINC000377758599 837920170 /nfs/dbraw/zinc/92/01/70/837920170.db2.gz XWLHDJVBAHZEFI-QFBILLFUSA-N 2 2 390.325 3.787 20 0 GHADLP C[N@H+](CCCO)C1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000115546562 838010149 /nfs/dbraw/zinc/01/01/49/838010149.db2.gz NRVYVRNFYJWCLJ-UHFFFAOYSA-N 2 2 382.548 3.571 20 0 GHADLP C[N@@H+](CCCO)C1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000115546562 838010154 /nfs/dbraw/zinc/01/01/54/838010154.db2.gz NRVYVRNFYJWCLJ-UHFFFAOYSA-N 2 2 382.548 3.571 20 0 GHADLP COc1ccc(C[C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(C)c1OC ZINC000579966428 838109227 /nfs/dbraw/zinc/10/92/27/838109227.db2.gz GUCNTEDGQKINFS-OXQOHEQNSA-N 2 2 398.551 3.591 20 0 GHADLP C[C@H](c1cccc(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)c1)[NH+]1CCOCC1 ZINC000659291267 838214494 /nfs/dbraw/zinc/21/44/94/838214494.db2.gz FQUSQEKIVFMJIY-DYESRHJHSA-N 2 2 393.531 3.711 20 0 GHADLP C[N@H+](Cc1ccccc1OCC(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000893981974 844312715 /nfs/dbraw/zinc/31/27/15/844312715.db2.gz YNNIOTNRHOKVLG-UHFFFAOYSA-N 2 2 389.490 3.864 20 0 GHADLP C[N@@H+](Cc1ccccc1OCC(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000893981974 844312726 /nfs/dbraw/zinc/31/27/26/844312726.db2.gz YNNIOTNRHOKVLG-UHFFFAOYSA-N 2 2 389.490 3.864 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000659316524 838282779 /nfs/dbraw/zinc/28/27/79/838282779.db2.gz DATUQUNEYAZSQK-APWZRJJASA-N 2 2 383.561 3.646 20 0 GHADLP Brc1cccc(-c2c[nH]c(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)n2)c1 ZINC000271213224 838299368 /nfs/dbraw/zinc/29/93/68/838299368.db2.gz WEXXNQQXLLRMES-UHFFFAOYSA-N 2 2 386.297 3.942 20 0 GHADLP Cc1cc([C@H](C)[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)no1 ZINC000580010771 838348931 /nfs/dbraw/zinc/34/89/31/838348931.db2.gz LTVKJEICWLVZRE-AWEZNQCLSA-N 2 2 382.430 3.604 20 0 GHADLP C[C@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178912911 838488094 /nfs/dbraw/zinc/48/80/94/838488094.db2.gz SZTGPYQLBQLRDK-MRXNPFEDSA-N 2 2 379.495 3.880 20 0 GHADLP COc1ccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1Cl ZINC000613644735 839059151 /nfs/dbraw/zinc/05/91/51/839059151.db2.gz YAGOTMGIICEHLD-UHFFFAOYSA-N 2 2 393.959 3.875 20 0 GHADLP Cc1[nH+]ccn1CCCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000378524488 839280080 /nfs/dbraw/zinc/28/00/80/839280080.db2.gz XNMIYLPEXLYOIQ-IBGZPJMESA-N 2 2 383.540 3.595 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1cnc(-c2ccccc2)n1 ZINC000173512669 839415123 /nfs/dbraw/zinc/41/51/23/839415123.db2.gz JGKJSNFOVDRSNX-UHFFFAOYSA-N 2 2 376.508 3.536 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1cnc(-c2ccccc2)n1 ZINC000173512669 839415132 /nfs/dbraw/zinc/41/51/32/839415132.db2.gz JGKJSNFOVDRSNX-UHFFFAOYSA-N 2 2 376.508 3.536 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cnn(Cc2ccccc2)c1 ZINC000163741063 839622303 /nfs/dbraw/zinc/62/23/03/839622303.db2.gz ZFZLUUZUPWIOFG-FQEVSTJZSA-N 2 2 390.531 3.614 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2cn(-c3ccccc3Br)nc2C)CC1 ZINC000656248156 839769387 /nfs/dbraw/zinc/76/93/87/839769387.db2.gz LMGZMMHZRNEPLH-UHFFFAOYSA-N 2 2 391.357 3.859 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(-c3ccccc3Br)nc2C)CC1 ZINC000656248156 839769397 /nfs/dbraw/zinc/76/93/97/839769397.db2.gz LMGZMMHZRNEPLH-UHFFFAOYSA-N 2 2 391.357 3.859 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)CC2)cc1 ZINC000549853949 844481481 /nfs/dbraw/zinc/48/14/81/844481481.db2.gz CDLLLVUGDXHAOT-NRFANRHFSA-N 2 2 398.551 3.533 20 0 GHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCOCC3)c2)C[C@H]1c1ccccc1 ZINC000580662180 839972412 /nfs/dbraw/zinc/97/24/12/839972412.db2.gz FWOAPKZKXXXDIT-IRLDBZIGSA-N 2 2 381.520 3.565 20 0 GHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCOCC3)c2)C[C@H]1c1ccccc1 ZINC000580662180 839972422 /nfs/dbraw/zinc/97/24/22/839972422.db2.gz FWOAPKZKXXXDIT-IRLDBZIGSA-N 2 2 381.520 3.565 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000510349485 840202018 /nfs/dbraw/zinc/20/20/18/840202018.db2.gz WFPUBYIYPPMZPE-UHFFFAOYSA-N 2 2 376.504 3.953 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000108929798 840301575 /nfs/dbraw/zinc/30/15/75/840301575.db2.gz UMANHUDNEXLIMI-LJQANCHMSA-N 2 2 398.595 3.555 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)[C@@H]2CCCN(CC(F)(F)F)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000684093116 840322222 /nfs/dbraw/zinc/32/22/22/840322222.db2.gz KESNGSCUOFUUEJ-NZSAHSFTSA-N 2 2 397.485 3.525 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)[C@@H]2CCCN(CC(F)(F)F)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000684093116 840322234 /nfs/dbraw/zinc/32/22/34/840322234.db2.gz KESNGSCUOFUUEJ-NZSAHSFTSA-N 2 2 397.485 3.525 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)[C@@H]2CCCN(CC(F)(F)F)C2=O)CC[NH+]1Cc1ccccc1 ZINC000684093116 840322246 /nfs/dbraw/zinc/32/22/46/840322246.db2.gz KESNGSCUOFUUEJ-NZSAHSFTSA-N 2 2 397.485 3.525 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)[C@@H]2CCCN(CC(F)(F)F)C2=O)CC[NH+]1Cc1ccccc1 ZINC000684093116 840322255 /nfs/dbraw/zinc/32/22/55/840322255.db2.gz KESNGSCUOFUUEJ-NZSAHSFTSA-N 2 2 397.485 3.525 20 0 GHADLP CN(C(=O)c1ccc(C2CCCCC2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479564 840666177 /nfs/dbraw/zinc/66/61/77/840666177.db2.gz WQPFTFNTFXUNTK-HSZRJFAPSA-N 2 2 383.580 3.975 20 0 GHADLP CN(C(=O)c1ccc(C2CCCCC2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479564 840666184 /nfs/dbraw/zinc/66/61/84/840666184.db2.gz WQPFTFNTFXUNTK-HSZRJFAPSA-N 2 2 383.580 3.975 20 0 GHADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000584802749 840914790 /nfs/dbraw/zinc/91/47/90/840914790.db2.gz JMJBOQARARQOFH-WBMJQRKESA-N 2 2 375.351 3.546 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]CCCNc2cccc[nH+]2)cs1)c1ccc(F)cc1 ZINC000177589365 861198939 /nfs/dbraw/zinc/19/89/39/861198939.db2.gz WXQOIHARLYTJPI-UHFFFAOYSA-N 2 2 399.495 3.954 20 0 GHADLP CC1(C)C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CN1Cc1ccccc1 ZINC000090185617 841718608 /nfs/dbraw/zinc/71/86/08/841718608.db2.gz YRRYWLPFXSKZTP-QFIPXVFZSA-N 2 2 385.596 3.664 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CN1Cc1ccccc1 ZINC000090185619 841718798 /nfs/dbraw/zinc/71/87/98/841718798.db2.gz YRRYWLPFXSKZTP-JOCHJYFZSA-N 2 2 385.596 3.664 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C[N@@H+]1C1CC1 ZINC000500243000 841723730 /nfs/dbraw/zinc/72/37/30/841723730.db2.gz JPDBTWIHXLUHTL-WCQYABFASA-N 2 2 377.838 3.738 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C[N@H+]1C1CC1 ZINC000500243000 841723740 /nfs/dbraw/zinc/72/37/40/841723740.db2.gz JPDBTWIHXLUHTL-WCQYABFASA-N 2 2 377.838 3.738 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066889725 841927517 /nfs/dbraw/zinc/92/75/17/841927517.db2.gz OTQCYKDRYRKIPN-UHFFFAOYSA-N 2 2 391.519 3.714 20 0 GHADLP CN(C(=O)C(C1CCC1)C1CCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000581847377 842283597 /nfs/dbraw/zinc/28/35/97/842283597.db2.gz HEHOLGFLIBBCJF-YADHBBJMSA-N 2 2 389.628 3.998 20 0 GHADLP CN(C(=O)C(C1CCC1)C1CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000581847377 842283603 /nfs/dbraw/zinc/28/36/03/842283603.db2.gz HEHOLGFLIBBCJF-YADHBBJMSA-N 2 2 389.628 3.998 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000581853529 842304431 /nfs/dbraw/zinc/30/44/31/842304431.db2.gz IWLJKCOSUHKZPV-UHFFFAOYSA-N 2 2 381.398 3.770 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)cc2Br)[C@H](C)C1 ZINC000512054071 842346071 /nfs/dbraw/zinc/34/60/71/842346071.db2.gz USJQDKCIDTWHLP-BEFAXECRSA-N 2 2 399.373 3.684 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)cc2Br)[C@H](C)C1 ZINC000512054071 842346077 /nfs/dbraw/zinc/34/60/77/842346077.db2.gz USJQDKCIDTWHLP-BEFAXECRSA-N 2 2 399.373 3.684 20 0 GHADLP C[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)[C@H]1CC[NH3+] ZINC000652354469 842350925 /nfs/dbraw/zinc/35/09/25/842350925.db2.gz ZKXVPJIOBOKQJN-YWMUFLPLSA-N 2 2 389.540 3.542 20 0 GHADLP C[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)[C@H]1CC[NH3+] ZINC000652354469 842350934 /nfs/dbraw/zinc/35/09/34/842350934.db2.gz ZKXVPJIOBOKQJN-YWMUFLPLSA-N 2 2 389.540 3.542 20 0 GHADLP CC(C)N1CC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000511908208 842373300 /nfs/dbraw/zinc/37/33/00/842373300.db2.gz DOVIEGROYYSRDO-UYAOXDASSA-N 2 2 394.535 3.797 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000548307471 842537048 /nfs/dbraw/zinc/53/70/48/842537048.db2.gz ILXICWPTXGRRKQ-IEBWSBKVSA-N 2 2 387.487 3.775 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1C ZINC000051333813 842824216 /nfs/dbraw/zinc/82/42/16/842824216.db2.gz ZAYIUKJXCHNBAF-UHFFFAOYSA-N 2 2 384.524 3.547 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1C ZINC000051333813 842824226 /nfs/dbraw/zinc/82/42/26/842824226.db2.gz ZAYIUKJXCHNBAF-UHFFFAOYSA-N 2 2 384.524 3.547 20 0 GHADLP CC[C@H]1C[N@H+](C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000549638279 842849081 /nfs/dbraw/zinc/84/90/81/842849081.db2.gz IEPFKMQWNRURJR-KRWDZBQOSA-N 2 2 395.576 3.950 20 0 GHADLP CC[C@H]1C[N@@H+](C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000549638279 842849089 /nfs/dbraw/zinc/84/90/89/842849089.db2.gz IEPFKMQWNRURJR-KRWDZBQOSA-N 2 2 395.576 3.950 20 0 GHADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000430754376 842935592 /nfs/dbraw/zinc/93/55/92/842935592.db2.gz MIMPUNUZQGUANL-IHBAFOEMSA-N 2 2 393.934 3.653 20 0 GHADLP COc1cc2cc[nH+]c(NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)c2cc1OC ZINC000663323173 843130922 /nfs/dbraw/zinc/13/09/22/843130922.db2.gz QGWGRDFEXVEHOZ-IBGZPJMESA-N 2 2 393.487 3.565 20 0 GHADLP COc1cc2cc[nH+]c(NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)c2cc1OC ZINC000663323173 843130927 /nfs/dbraw/zinc/13/09/27/843130927.db2.gz QGWGRDFEXVEHOZ-IBGZPJMESA-N 2 2 393.487 3.565 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(-c2ccccc2)no1 ZINC000430913989 843173485 /nfs/dbraw/zinc/17/34/85/843173485.db2.gz ZVZVHNMUIGBDKN-UHFFFAOYSA-N 3 2 396.579 3.970 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(-c2ccccc2)no1 ZINC000430913989 843173486 /nfs/dbraw/zinc/17/34/86/843173486.db2.gz ZVZVHNMUIGBDKN-UHFFFAOYSA-N 3 2 396.579 3.970 20 0 GHADLP COc1cccc([C@H](CNc2[nH+]ccc3cc(OC)c(OC)cc32)[NH+](C)C)c1 ZINC000663329647 843198133 /nfs/dbraw/zinc/19/81/33/843198133.db2.gz ZXLBFTOTIABPRL-IBGZPJMESA-N 2 2 381.476 3.975 20 0 GHADLP CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)ccc21 ZINC000430947373 843231067 /nfs/dbraw/zinc/23/10/67/843231067.db2.gz DNNBVZZJVTWWEM-GUXCAODWSA-N 2 2 378.520 3.811 20 0 GHADLP CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)ccc21 ZINC000430947373 843231079 /nfs/dbraw/zinc/23/10/79/843231079.db2.gz DNNBVZZJVTWWEM-GUXCAODWSA-N 2 2 378.520 3.811 20 0 GHADLP Cc1ccc(-c2noc([C@H](C)[NH+]3CCN(c4[nH+]ccc5[nH]ccc54)CC3)n2)cc1 ZINC000663382721 843383988 /nfs/dbraw/zinc/38/39/88/843383988.db2.gz DUYXRXRMXATRTD-INIZCTEOSA-N 2 2 388.475 3.805 20 0 GHADLP [NH3+][C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(F)cc1F ZINC000662664359 843502290 /nfs/dbraw/zinc/50/22/90/843502290.db2.gz SBQVOFXKTFTPSU-RTBURBONSA-N 2 2 393.865 3.571 20 0 GHADLP [NH3+][C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc(F)cc1F ZINC000662678067 843512303 /nfs/dbraw/zinc/51/23/03/843512303.db2.gz AZXQDLJOZDRBTK-RBUKOAKNSA-N 2 2 393.865 3.571 20 0 GHADLP [NH3+]CCC[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000418677871 843533851 /nfs/dbraw/zinc/53/38/51/843533851.db2.gz SEMGUPRRUILTRZ-NRFANRHFSA-N 2 2 383.540 3.565 20 0 GHADLP CC(C)c1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(O)c(=O)c1 ZINC000663829267 843778030 /nfs/dbraw/zinc/77/80/30/843778030.db2.gz PZERAGHZFXDIIB-FQEVSTJZSA-N 2 2 380.532 3.830 20 0 GHADLP CC(C)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(O)c(=O)c1 ZINC000663829267 843778039 /nfs/dbraw/zinc/77/80/39/843778039.db2.gz PZERAGHZFXDIIB-FQEVSTJZSA-N 2 2 380.532 3.830 20 0 GHADLP CC(C)c1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(O)c(=O)c1 ZINC000663829267 843778050 /nfs/dbraw/zinc/77/80/50/843778050.db2.gz PZERAGHZFXDIIB-FQEVSTJZSA-N 2 2 380.532 3.830 20 0 GHADLP CC(C)c1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c(=O)c1 ZINC000663829267 843778057 /nfs/dbraw/zinc/77/80/57/843778057.db2.gz PZERAGHZFXDIIB-FQEVSTJZSA-N 2 2 380.532 3.830 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC3(CO)CC(c4ccccc4)C3)sc2C1 ZINC000433203368 843826409 /nfs/dbraw/zinc/82/64/09/843826409.db2.gz BNYISXBQQDRDRU-UHFFFAOYSA-N 2 2 385.577 3.556 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH2+]CC3(CO)CC(c4ccccc4)C3)sc2C1 ZINC000433203368 843826422 /nfs/dbraw/zinc/82/64/22/843826422.db2.gz BNYISXBQQDRDRU-UHFFFAOYSA-N 2 2 385.577 3.556 20 0 GHADLP OCC1([C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c2ccccc2)CCC1 ZINC000433299913 843987640 /nfs/dbraw/zinc/98/76/40/843987640.db2.gz RWUKGXFHUNHWSF-RPWUZVMVSA-N 2 2 394.559 3.771 20 0 GHADLP OCC1([C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ccccc2)CCC1 ZINC000433299913 843987644 /nfs/dbraw/zinc/98/76/44/843987644.db2.gz RWUKGXFHUNHWSF-RPWUZVMVSA-N 2 2 394.559 3.771 20 0 GHADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000899672160 861483977 /nfs/dbraw/zinc/48/39/77/861483977.db2.gz RSFPMUCLGGQLJQ-HZPDHXFCSA-N 2 2 392.425 3.777 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000152106160 844731088 /nfs/dbraw/zinc/73/10/88/844731088.db2.gz ZQDQHZYFHVSEQS-NQIIRXRSSA-N 2 2 383.540 3.518 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccsc1 ZINC000052877781 844860474 /nfs/dbraw/zinc/86/04/74/844860474.db2.gz MCYZRYIICILAPP-FQEVSTJZSA-N 2 2 382.533 3.806 20 0 GHADLP CN(c1ccccc1C[NH2+]Cc1nc(C(F)(F)F)cs1)C1CC[NH+](C)CC1 ZINC000150972830 845088576 /nfs/dbraw/zinc/08/85/76/845088576.db2.gz FNXOCQIECXATRA-UHFFFAOYSA-N 2 2 398.498 3.982 20 0 GHADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261897716 845165002 /nfs/dbraw/zinc/16/50/02/845165002.db2.gz VYJWPUGAZAFWDA-HXUWFJFHSA-N 2 2 392.528 3.718 20 0 GHADLP C[C@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(Nc2[nH+]ccc3[nH]ccc32)CC1 ZINC000663973345 845197283 /nfs/dbraw/zinc/19/72/83/845197283.db2.gz MKFPFAZJVNJYTP-OAHLLOKOSA-N 2 2 398.532 3.604 20 0 GHADLP Cn1nccc1-c1ccccc1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000513347349 845278053 /nfs/dbraw/zinc/27/80/53/845278053.db2.gz INEUDWQOILFXIH-UHFFFAOYSA-N 2 2 392.469 3.982 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OC(F)(F)F)cc1 ZINC000513466867 845491037 /nfs/dbraw/zinc/49/10/37/845491037.db2.gz LQQQZFOSTWLBJT-KXBFYZLASA-N 2 2 394.437 3.655 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OC(F)(F)F)cc1 ZINC000513466867 845491042 /nfs/dbraw/zinc/49/10/42/845491042.db2.gz LQQQZFOSTWLBJT-KXBFYZLASA-N 2 2 394.437 3.655 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OC(F)(F)F)cc1 ZINC000513466865 845491154 /nfs/dbraw/zinc/49/11/54/845491154.db2.gz LQQQZFOSTWLBJT-DNVCBOLYSA-N 2 2 394.437 3.655 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OC(F)(F)F)cc1 ZINC000513466865 845491158 /nfs/dbraw/zinc/49/11/58/845491158.db2.gz LQQQZFOSTWLBJT-DNVCBOLYSA-N 2 2 394.437 3.655 20 0 GHADLP Cc1ncccc1OC[C@H]1CCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000419395458 845539426 /nfs/dbraw/zinc/53/94/26/845539426.db2.gz UJLBZBWARSJXAE-DHIUTWEWSA-N 2 2 395.547 3.524 20 0 GHADLP Cc1ncccc1OC[C@H]1CCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000419395458 845539433 /nfs/dbraw/zinc/53/94/33/845539433.db2.gz UJLBZBWARSJXAE-DHIUTWEWSA-N 2 2 395.547 3.524 20 0 GHADLP Cc1ncccc1OC[C@H]1CCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419395458 845539440 /nfs/dbraw/zinc/53/94/40/845539440.db2.gz UJLBZBWARSJXAE-DHIUTWEWSA-N 2 2 395.547 3.524 20 0 GHADLP Cc1ncccc1OC[C@H]1CCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419395458 845539448 /nfs/dbraw/zinc/53/94/48/845539448.db2.gz UJLBZBWARSJXAE-DHIUTWEWSA-N 2 2 395.547 3.524 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ncc(Cl)s2)CC1 ZINC000472051943 845609246 /nfs/dbraw/zinc/60/92/46/845609246.db2.gz JBDAKWMCODUCLN-ZDUSSCGKSA-N 2 2 382.936 3.928 20 0 GHADLP CCCC(O)(CCC)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124626330 845755935 /nfs/dbraw/zinc/75/59/35/845755935.db2.gz ZGCJYGREWITCRB-RTWAWAEBSA-N 2 2 395.632 3.503 20 0 GHADLP CCCC(O)(CCC)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124626330 845755939 /nfs/dbraw/zinc/75/59/39/845755939.db2.gz ZGCJYGREWITCRB-RTWAWAEBSA-N 2 2 395.632 3.503 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc1O ZINC000582032423 846106727 /nfs/dbraw/zinc/10/67/27/846106727.db2.gz HOKXXKXHAMUHMH-HXUWFJFHSA-N 2 2 397.563 3.649 20 0 GHADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)[N@@H+]1CCc2ccccc2C1 ZINC000513668046 846215541 /nfs/dbraw/zinc/21/55/41/846215541.db2.gz VGTRQOZBLRZEJU-HTAPYJJXSA-N 2 2 393.531 3.751 20 0 GHADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)[N@H+]1CCc2ccccc2C1 ZINC000513668046 846215545 /nfs/dbraw/zinc/21/55/45/846215545.db2.gz VGTRQOZBLRZEJU-HTAPYJJXSA-N 2 2 393.531 3.751 20 0 GHADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCO2 ZINC000760015735 846332534 /nfs/dbraw/zinc/33/25/34/846332534.db2.gz GXTQOCACKHAXIN-GOTSBHOMSA-N 2 2 380.532 3.953 20 0 GHADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCO2 ZINC000760015735 846332542 /nfs/dbraw/zinc/33/25/42/846332542.db2.gz GXTQOCACKHAXIN-GOTSBHOMSA-N 2 2 380.532 3.953 20 0 GHADLP C[NH+](C)CC[C@@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)C(C)(C)C ZINC000236985850 846395776 /nfs/dbraw/zinc/39/57/76/846395776.db2.gz WOULXWSKBIYLKD-GOSISDBHSA-N 2 2 375.538 3.995 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000502839194 846509808 /nfs/dbraw/zinc/50/98/08/846509808.db2.gz DDWMLKVAHVWTPE-HVMDOBLNSA-N 2 2 398.595 3.682 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000502839194 846509816 /nfs/dbraw/zinc/50/98/16/846509816.db2.gz DDWMLKVAHVWTPE-HVMDOBLNSA-N 2 2 398.595 3.682 20 0 GHADLP C[C@H](C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1cccc(Br)c1 ZINC000093148095 846613956 /nfs/dbraw/zinc/61/39/56/846613956.db2.gz XZCGXDYWRPSSKI-XLIONFOSSA-N 2 2 394.401 3.655 20 0 GHADLP C[C@H](C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1cccc(Br)c1 ZINC000093148095 846613963 /nfs/dbraw/zinc/61/39/63/846613963.db2.gz XZCGXDYWRPSSKI-XLIONFOSSA-N 2 2 394.401 3.655 20 0 GHADLP COC1([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)CCCCC1 ZINC000421860507 846626579 /nfs/dbraw/zinc/62/65/79/846626579.db2.gz UEPWTMGUWSMWBH-GOSISDBHSA-N 2 2 387.568 3.937 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000422008311 846747126 /nfs/dbraw/zinc/74/71/26/846747126.db2.gz PQKRTLRVRCZWKY-UHFFFAOYSA-N 2 2 391.559 3.986 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000422008311 846747140 /nfs/dbraw/zinc/74/71/40/846747140.db2.gz PQKRTLRVRCZWKY-UHFFFAOYSA-N 2 2 391.559 3.986 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc4cc(C)c(C)cc4o3)CC2)CC1 ZINC000422024749 846755717 /nfs/dbraw/zinc/75/57/17/846755717.db2.gz QZUYAFGJABBEBF-UHFFFAOYSA-N 2 2 383.536 3.682 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc4cc(C)c(C)cc4o3)CC2)CC1 ZINC000422024749 846755720 /nfs/dbraw/zinc/75/57/20/846755720.db2.gz QZUYAFGJABBEBF-UHFFFAOYSA-N 2 2 383.536 3.682 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](Cc3ccccc3)C(C)C)CC2)CC1 ZINC000422028905 846760935 /nfs/dbraw/zinc/76/09/35/846760935.db2.gz YSYSZISLNVLKKS-QHCPKHFHSA-N 2 2 385.596 3.520 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](Cc3ccccc3)C(C)C)CC2)CC1 ZINC000422028905 846760940 /nfs/dbraw/zinc/76/09/40/846760940.db2.gz YSYSZISLNVLKKS-QHCPKHFHSA-N 2 2 385.596 3.520 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCCc3ccccc3Cl)CC2)CC1 ZINC000422017569 846770780 /nfs/dbraw/zinc/77/07/80/846770780.db2.gz JJQNKVZQOMUURV-UHFFFAOYSA-N 2 2 391.987 3.681 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCCc3ccccc3Cl)CC2)CC1 ZINC000422017569 846770785 /nfs/dbraw/zinc/77/07/85/846770785.db2.gz JJQNKVZQOMUURV-UHFFFAOYSA-N 2 2 391.987 3.681 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@@H](C)C1 ZINC000481559868 861719719 /nfs/dbraw/zinc/71/97/19/861719719.db2.gz HBKBHFKDBFGSDK-UWJYYQICSA-N 3 2 388.531 3.546 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@@H](C)C1 ZINC000481559868 861719736 /nfs/dbraw/zinc/71/97/36/861719736.db2.gz HBKBHFKDBFGSDK-UWJYYQICSA-N 3 2 388.531 3.546 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)[C@@H](C)C1 ZINC000481559868 861719742 /nfs/dbraw/zinc/71/97/42/861719742.db2.gz HBKBHFKDBFGSDK-UWJYYQICSA-N 2 2 388.531 3.546 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)[C@@H](C)C1 ZINC000481559868 861719757 /nfs/dbraw/zinc/71/97/57/861719757.db2.gz HBKBHFKDBFGSDK-UWJYYQICSA-N 2 2 388.531 3.546 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](c3ccccc3)C3CCC3)CC2)CC1 ZINC000422152671 846857305 /nfs/dbraw/zinc/85/73/05/846857305.db2.gz AJCMGBBUOJWZHH-HSZRJFAPSA-N 2 2 398.595 3.729 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](c3ccccc3)C3CCC3)CC2)CC1 ZINC000422152671 846857309 /nfs/dbraw/zinc/85/73/09/846857309.db2.gz AJCMGBBUOJWZHH-HSZRJFAPSA-N 2 2 398.595 3.729 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(I)cc2Cl)[C@H](C)C1 ZINC000501444146 846930950 /nfs/dbraw/zinc/93/09/50/846930950.db2.gz AFMOBZJAOWGJIQ-IAQYHMDHSA-N 2 2 392.712 3.765 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(I)cc2Cl)[C@H](C)C1 ZINC000501444146 846930951 /nfs/dbraw/zinc/93/09/51/846930951.db2.gz AFMOBZJAOWGJIQ-IAQYHMDHSA-N 2 2 392.712 3.765 20 0 GHADLP COc1ccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1OC ZINC000272294209 847040373 /nfs/dbraw/zinc/04/03/73/847040373.db2.gz QJRXLKVNQNLPHD-MRXNPFEDSA-N 2 2 384.524 3.802 20 0 GHADLP COCc1cc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)ccc1OC ZINC000272316673 847046561 /nfs/dbraw/zinc/04/65/61/847046561.db2.gz UZFBTJAPYQQYIZ-KRWDZBQOSA-N 2 2 398.551 3.940 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420353382 847135116 /nfs/dbraw/zinc/13/51/16/847135116.db2.gz AZYZITIJYPOETD-IQUTYRLHSA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420353382 847135119 /nfs/dbraw/zinc/13/51/19/847135119.db2.gz AZYZITIJYPOETD-IQUTYRLHSA-N 2 2 384.351 3.635 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420406346 847169999 /nfs/dbraw/zinc/16/99/99/847169999.db2.gz NSIBZVOUQYEREN-LZNRXBQRSA-N 2 2 381.520 3.682 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420406346 847170003 /nfs/dbraw/zinc/17/00/03/847170003.db2.gz NSIBZVOUQYEREN-LZNRXBQRSA-N 2 2 381.520 3.682 20 0 GHADLP O=C(C[N@@H+]1CCC=C(c2ccco2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000511135110 847361724 /nfs/dbraw/zinc/36/17/24/847361724.db2.gz DPEPGHUBSYCBHQ-UHFFFAOYSA-N 2 2 397.544 3.556 20 0 GHADLP O=C(C[N@H+]1CCC=C(c2ccco2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000511135110 847361736 /nfs/dbraw/zinc/36/17/36/847361736.db2.gz DPEPGHUBSYCBHQ-UHFFFAOYSA-N 2 2 397.544 3.556 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NCC[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)ccn12 ZINC000582495518 847409830 /nfs/dbraw/zinc/40/98/30/847409830.db2.gz KULLQBSIUUSSQD-XLIONFOSSA-N 2 2 376.504 3.673 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NCC[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)ccn12 ZINC000582495518 847409836 /nfs/dbraw/zinc/40/98/36/847409836.db2.gz KULLQBSIUUSSQD-XLIONFOSSA-N 2 2 376.504 3.673 20 0 GHADLP Clc1cccnc1C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420926980 847546654 /nfs/dbraw/zinc/54/66/54/847546654.db2.gz YUNKEKUABLAZKY-UHFFFAOYSA-N 2 2 385.939 3.947 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(-n2cccn2)c1 ZINC000420947748 847569056 /nfs/dbraw/zinc/56/90/56/847569056.db2.gz OUQIKZRZCQCGNK-LJQANCHMSA-N 2 2 376.504 3.555 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503375718 847650821 /nfs/dbraw/zinc/65/08/21/847650821.db2.gz MCQVZEKKBUVYGZ-CTNGQTDRSA-N 2 2 394.563 3.754 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503375718 847650825 /nfs/dbraw/zinc/65/08/25/847650825.db2.gz MCQVZEKKBUVYGZ-CTNGQTDRSA-N 2 2 394.563 3.754 20 0 GHADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435872 847694555 /nfs/dbraw/zinc/69/45/55/847694555.db2.gz INJMFPWXNGKMRF-ICSRJNTNSA-N 2 2 380.536 3.618 20 0 GHADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435872 847694561 /nfs/dbraw/zinc/69/45/61/847694561.db2.gz INJMFPWXNGKMRF-ICSRJNTNSA-N 2 2 380.536 3.618 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000422734349 847789547 /nfs/dbraw/zinc/78/95/47/847789547.db2.gz COUIVMHVKFBOMS-CTWCOEIASA-N 2 2 385.371 3.589 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1OCCc2sccc21 ZINC000429142099 861830685 /nfs/dbraw/zinc/83/06/85/861830685.db2.gz MHKHTSDGXRBCCM-PGRDOPGGSA-N 2 2 385.577 3.552 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000422943957 847907331 /nfs/dbraw/zinc/90/73/31/847907331.db2.gz LSLHTQTZOYGRRS-GQUJEBGOSA-N 3 2 393.575 3.879 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000422943957 847907337 /nfs/dbraw/zinc/90/73/37/847907337.db2.gz LSLHTQTZOYGRRS-GQUJEBGOSA-N 2 2 393.575 3.879 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000422968805 847921270 /nfs/dbraw/zinc/92/12/70/847921270.db2.gz XTWXRLNYAMVPHS-HYBUGGRVSA-N 3 2 393.575 3.806 20 0 GHADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)c2ccccc21 ZINC000422973660 847924425 /nfs/dbraw/zinc/92/44/25/847924425.db2.gz PGJCAXDPJPEWMD-FCHUYYIVSA-N 2 2 375.472 3.774 20 0 GHADLP c1ccc([C@@H]2CCc3nc(C[NH2+][C@@H]4CCOC[C@@H]4[C@H]4CCC[NH2+]4)sc3C2)cc1 ZINC000423049585 847964964 /nfs/dbraw/zinc/96/49/64/847964964.db2.gz KHRQEALXPHAZDR-UAFMIMERSA-N 2 2 397.588 3.662 20 0 GHADLP c1csc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000582724999 848146490 /nfs/dbraw/zinc/14/64/90/848146490.db2.gz BTESDYYQNGDGFA-RBUKOAKNSA-N 2 2 378.545 3.701 20 0 GHADLP c1csc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000582724999 848146491 /nfs/dbraw/zinc/14/64/91/848146491.db2.gz BTESDYYQNGDGFA-RBUKOAKNSA-N 2 2 378.545 3.701 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000472284441 849496961 /nfs/dbraw/zinc/49/69/61/849496961.db2.gz ADNBSTDMNXXVPM-ZWKOTPCHSA-N 2 2 395.975 3.717 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000472284441 849496967 /nfs/dbraw/zinc/49/69/67/849496967.db2.gz ADNBSTDMNXXVPM-ZWKOTPCHSA-N 2 2 395.975 3.717 20 0 GHADLP C[NH+](C)C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000583275540 849501370 /nfs/dbraw/zinc/50/13/70/849501370.db2.gz KPNOKLTXPDBEDX-HXUWFJFHSA-N 2 2 382.895 3.618 20 0 GHADLP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)C2)cc1F ZINC000503895151 849747570 /nfs/dbraw/zinc/74/75/70/849747570.db2.gz VCTANCZOCSUVAU-ZLLBNUPZSA-N 2 2 383.511 3.976 20 0 GHADLP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)C2)cc1F ZINC000503895151 849747579 /nfs/dbraw/zinc/74/75/79/849747579.db2.gz VCTANCZOCSUVAU-ZLLBNUPZSA-N 2 2 383.511 3.976 20 0 GHADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425180652 849751499 /nfs/dbraw/zinc/75/14/99/849751499.db2.gz TXUIFUWAXQYFOG-HBMCJLEFSA-N 2 2 382.552 3.949 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423156929 849767030 /nfs/dbraw/zinc/76/70/30/849767030.db2.gz UOVPQEDQTLDDOJ-RDGATRHJSA-N 3 2 391.559 3.887 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423156929 849767038 /nfs/dbraw/zinc/76/70/38/849767038.db2.gz UOVPQEDQTLDDOJ-RDGATRHJSA-N 3 2 391.559 3.887 20 0 GHADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000425201085 849795910 /nfs/dbraw/zinc/79/59/10/849795910.db2.gz AJJOFEUUILTSHJ-JOCHJYFZSA-N 2 2 390.531 3.831 20 0 GHADLP Clc1ccccc1CN1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000156231390 849826429 /nfs/dbraw/zinc/82/64/29/849826429.db2.gz CSVPNIRWTXLEEE-UHFFFAOYSA-N 2 2 384.955 3.958 20 0 GHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000434989830 849977807 /nfs/dbraw/zinc/97/78/07/849977807.db2.gz FRHWXVBPSQCKQH-HSALFYBXSA-N 2 2 377.532 3.714 20 0 GHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000434989830 849977811 /nfs/dbraw/zinc/97/78/11/849977811.db2.gz FRHWXVBPSQCKQH-HSALFYBXSA-N 2 2 377.532 3.714 20 0 GHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000434989830 849977816 /nfs/dbraw/zinc/97/78/16/849977816.db2.gz FRHWXVBPSQCKQH-HSALFYBXSA-N 2 2 377.532 3.714 20 0 GHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000434989830 849977817 /nfs/dbraw/zinc/97/78/17/849977817.db2.gz FRHWXVBPSQCKQH-HSALFYBXSA-N 2 2 377.532 3.714 20 0 GHADLP CC[N@H+](C)[C@H](c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)c1ccccc1 ZINC000504268292 849991868 /nfs/dbraw/zinc/99/18/68/849991868.db2.gz SEDYIBHRXFNMOE-NRFANRHFSA-N 2 2 392.503 3.610 20 0 GHADLP CC[N@@H+](C)[C@H](c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)c1ccccc1 ZINC000504268292 849991875 /nfs/dbraw/zinc/99/18/75/849991875.db2.gz SEDYIBHRXFNMOE-NRFANRHFSA-N 2 2 392.503 3.610 20 0 GHADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(Oc4cc(F)cc(F)c4)cc3)CC2)C1 ZINC000668740609 850460072 /nfs/dbraw/zinc/46/00/72/850460072.db2.gz KJAQXLSKTKIVKB-HXUWFJFHSA-N 2 2 388.458 3.788 20 0 GHADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc(Oc4cc(F)cc(F)c4)cc3)CC2)C1 ZINC000668740609 850460079 /nfs/dbraw/zinc/46/00/79/850460079.db2.gz KJAQXLSKTKIVKB-HXUWFJFHSA-N 2 2 388.458 3.788 20 0 GHADLP CC(=O)N(c1nc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cs1)c1ccc(F)cc1 ZINC000414793523 850502478 /nfs/dbraw/zinc/50/24/78/850502478.db2.gz DNNSLDQYFFPLSE-KBXCAEBGSA-N 2 2 376.501 3.574 20 0 GHADLP Cn1ccnc1C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435424746 850505060 /nfs/dbraw/zinc/50/50/60/850505060.db2.gz AIOLLBFRXRBBKV-QGZVFWFLSA-N 2 2 378.442 3.583 20 0 GHADLP Cn1ccnc1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435424746 850505068 /nfs/dbraw/zinc/50/50/68/850505068.db2.gz AIOLLBFRXRBBKV-QGZVFWFLSA-N 2 2 378.442 3.583 20 0 GHADLP FC(F)Oc1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435431309 850515853 /nfs/dbraw/zinc/51/58/53/850515853.db2.gz HZAVYGAMXDTZTP-MRXNPFEDSA-N 2 2 379.476 3.889 20 0 GHADLP FC(F)Oc1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435431309 850515857 /nfs/dbraw/zinc/51/58/57/850515857.db2.gz HZAVYGAMXDTZTP-MRXNPFEDSA-N 2 2 379.476 3.889 20 0 GHADLP CCOCc1cc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)ccc1OC ZINC000435446372 850535682 /nfs/dbraw/zinc/53/56/82/850535682.db2.gz ZULBLCHHDJVYQW-GOSISDBHSA-N 2 2 389.565 3.608 20 0 GHADLP CCOCc1cc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)ccc1OC ZINC000435446372 850535690 /nfs/dbraw/zinc/53/56/90/850535690.db2.gz ZULBLCHHDJVYQW-GOSISDBHSA-N 2 2 389.565 3.608 20 0 GHADLP Cc1scc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000180480019 862163588 /nfs/dbraw/zinc/16/35/88/862163588.db2.gz VLAXMQLLBKNNKH-VQTJNVASSA-N 2 2 377.598 3.774 20 0 GHADLP Cc1scc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000180480019 862163597 /nfs/dbraw/zinc/16/35/97/862163597.db2.gz VLAXMQLLBKNNKH-VQTJNVASSA-N 2 2 377.598 3.774 20 0 GHADLP CCn1ccnc1C[N@H+](CCOc1ccc(Cl)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435695371 850775970 /nfs/dbraw/zinc/77/59/70/850775970.db2.gz QPTIIZLADYMVSU-IBGZPJMESA-N 2 2 388.943 3.580 20 0 GHADLP CCn1ccnc1C[N@@H+](CCOc1ccc(Cl)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435695371 850775977 /nfs/dbraw/zinc/77/59/77/850775977.db2.gz QPTIIZLADYMVSU-IBGZPJMESA-N 2 2 388.943 3.580 20 0 GHADLP Cc1ccc(NC(=O)C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c(F)c1 ZINC000435698224 850780257 /nfs/dbraw/zinc/78/02/57/850780257.db2.gz VMDUMUVYOARYFV-IBGZPJMESA-N 2 2 387.524 3.778 20 0 GHADLP Cc1ccc(NC(=O)C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c(F)c1 ZINC000435698224 850780264 /nfs/dbraw/zinc/78/02/64/850780264.db2.gz VMDUMUVYOARYFV-IBGZPJMESA-N 2 2 387.524 3.778 20 0 GHADLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CCO1 ZINC000668786989 850781303 /nfs/dbraw/zinc/78/13/03/850781303.db2.gz LQWFDXNHTGWWOU-NRFANRHFSA-N 2 2 397.567 3.603 20 0 GHADLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CCO1 ZINC000668786989 850781308 /nfs/dbraw/zinc/78/13/08/850781308.db2.gz LQWFDXNHTGWWOU-NRFANRHFSA-N 2 2 397.567 3.603 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000425002522 850843520 /nfs/dbraw/zinc/84/35/20/850843520.db2.gz FXASWWLCMNIGFZ-NZQKXSOJSA-N 2 2 386.499 3.527 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000425002522 850843526 /nfs/dbraw/zinc/84/35/26/850843526.db2.gz FXASWWLCMNIGFZ-NZQKXSOJSA-N 2 2 386.499 3.527 20 0 GHADLP Fc1ccc(Br)cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513820441 850911754 /nfs/dbraw/zinc/91/17/54/850911754.db2.gz PHUFUAXAQNSULA-UHFFFAOYSA-N 2 2 385.321 3.523 20 0 GHADLP COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(C)c1OC ZINC000514081008 851214960 /nfs/dbraw/zinc/21/49/60/851214960.db2.gz ABQKDSZQRDQKEL-QGZVFWFLSA-N 2 2 379.504 3.978 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425147879 851496716 /nfs/dbraw/zinc/49/67/16/851496716.db2.gz RYEUKXSLSAUKEW-VXKWHMMOSA-N 2 2 388.515 3.713 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000425147879 851496722 /nfs/dbraw/zinc/49/67/22/851496722.db2.gz RYEUKXSLSAUKEW-VXKWHMMOSA-N 2 2 388.515 3.713 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000550143211 851742118 /nfs/dbraw/zinc/74/21/18/851742118.db2.gz XOZKZBWAWZIFHG-INIZCTEOSA-N 2 2 395.385 3.785 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000180678255 862280000 /nfs/dbraw/zinc/28/00/00/862280000.db2.gz HQYKMBMFUVQGHG-LPHOPBHVSA-N 2 2 393.453 3.979 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000180678255 862280013 /nfs/dbraw/zinc/28/00/13/862280013.db2.gz HQYKMBMFUVQGHG-LPHOPBHVSA-N 2 2 393.453 3.979 20 0 GHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049554041 851844403 /nfs/dbraw/zinc/84/44/03/851844403.db2.gz IMCMTKNCIDPYSN-JTQLQIEISA-N 2 2 394.151 3.650 20 0 GHADLP CO[C@@H](C)c1noc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664835962 851860767 /nfs/dbraw/zinc/86/07/67/851860767.db2.gz IWVVUBXFDJYBCB-LAUBAEHRSA-N 2 2 398.551 3.900 20 0 GHADLP CO[C@@H](C)c1noc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664835962 851860772 /nfs/dbraw/zinc/86/07/72/851860772.db2.gz IWVVUBXFDJYBCB-LAUBAEHRSA-N 2 2 398.551 3.900 20 0 GHADLP Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000058563006 851889624 /nfs/dbraw/zinc/88/96/24/851889624.db2.gz JTARZJNHFPUCGY-NRFANRHFSA-N 2 2 383.561 3.538 20 0 GHADLP Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000058563006 851889629 /nfs/dbraw/zinc/88/96/29/851889629.db2.gz JTARZJNHFPUCGY-NRFANRHFSA-N 2 2 383.561 3.538 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000608070801 852230736 /nfs/dbraw/zinc/23/07/36/852230736.db2.gz JPXUJRFWDVOHHA-UHFFFAOYSA-N 2 2 395.881 3.983 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638747160 852328881 /nfs/dbraw/zinc/32/88/81/852328881.db2.gz BKBWYJSRHNOFGA-RVFVQDDPSA-N 3 2 397.607 3.712 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638747160 852328891 /nfs/dbraw/zinc/32/88/91/852328891.db2.gz BKBWYJSRHNOFGA-RVFVQDDPSA-N 3 2 397.607 3.712 20 0 GHADLP Clc1ccc(Br)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000506910890 852347510 /nfs/dbraw/zinc/34/75/10/852347510.db2.gz VLXXPGJNJONNOX-UHFFFAOYSA-N 2 2 387.749 3.647 20 0 GHADLP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329824692 862349549 /nfs/dbraw/zinc/34/95/49/862349549.db2.gz HWXKRCVTDRJGIJ-HNNXBMFYSA-N 2 2 387.553 3.800 20 0 GHADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)c1 ZINC000414932460 852454775 /nfs/dbraw/zinc/45/47/75/852454775.db2.gz CRVFQINICRJUSD-OPAMFIHVSA-N 2 2 377.488 3.855 20 0 GHADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000425677890 852599216 /nfs/dbraw/zinc/59/92/16/852599216.db2.gz VKIXNUSBRJCHFL-IBGZPJMESA-N 2 2 393.535 3.979 20 0 GHADLP CC[C@H]1CC[C@H](C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000438940802 853108314 /nfs/dbraw/zinc/10/83/14/853108314.db2.gz CTEXUZJFGHQDKC-BLKABHOGSA-N 2 2 377.617 3.998 20 0 GHADLP CC[C@H]1CC[C@H](C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000438940802 853108317 /nfs/dbraw/zinc/10/83/17/853108317.db2.gz CTEXUZJFGHQDKC-BLKABHOGSA-N 2 2 377.617 3.998 20 0 GHADLP CC[C@H](C(=O)NC[C@@H](C)[NH+]1CCc2sccc2C1)[N@H+](C)Cc1ccccc1 ZINC000516939610 853180728 /nfs/dbraw/zinc/18/07/28/853180728.db2.gz HKVBBWIIFCRDKF-YLJYHZDGSA-N 2 2 385.577 3.522 20 0 GHADLP CC[C@H](C(=O)NC[C@@H](C)[NH+]1CCc2sccc2C1)[N@@H+](C)Cc1ccccc1 ZINC000516939610 853180734 /nfs/dbraw/zinc/18/07/34/853180734.db2.gz HKVBBWIIFCRDKF-YLJYHZDGSA-N 2 2 385.577 3.522 20 0 GHADLP CC[C@H](C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)[NH+](C)Cc1ccccc1 ZINC000516939610 853180738 /nfs/dbraw/zinc/18/07/38/853180738.db2.gz HKVBBWIIFCRDKF-YLJYHZDGSA-N 2 2 385.577 3.522 20 0 GHADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439036435 853213476 /nfs/dbraw/zinc/21/34/76/853213476.db2.gz BTHLJTXQQPDAKZ-AEFFLSMTSA-N 2 2 379.508 3.587 20 0 GHADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439036435 853213484 /nfs/dbraw/zinc/21/34/84/853213484.db2.gz BTHLJTXQQPDAKZ-AEFFLSMTSA-N 2 2 379.508 3.587 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000439092878 853278305 /nfs/dbraw/zinc/27/83/05/853278305.db2.gz ZAGPXAOUTSSNFP-KRWDZBQOSA-N 2 2 392.503 3.792 20 0 GHADLP CC[NH+]1CCC(CCNC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000437572545 853280830 /nfs/dbraw/zinc/28/08/30/853280830.db2.gz WEPKLWMQLFPEJW-MRXNPFEDSA-N 2 2 393.601 3.619 20 0 GHADLP CC[NH+]1CCC(CCNC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000437572545 853280838 /nfs/dbraw/zinc/28/08/38/853280838.db2.gz WEPKLWMQLFPEJW-MRXNPFEDSA-N 2 2 393.601 3.619 20 0 GHADLP C[NH2+]C[C@H]1CC[N@H+](Cc2nc3ccccc3c(-c3ccccc3)c2C(=O)OC)C1 ZINC000517031714 853281038 /nfs/dbraw/zinc/28/10/38/853281038.db2.gz YALLHSWYOSLYBY-QGZVFWFLSA-N 2 2 389.499 3.730 20 0 GHADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2nc3ccccc3c(-c3ccccc3)c2C(=O)OC)C1 ZINC000517031714 853281046 /nfs/dbraw/zinc/28/10/46/853281046.db2.gz YALLHSWYOSLYBY-QGZVFWFLSA-N 2 2 389.499 3.730 20 0 GHADLP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426325072 853438168 /nfs/dbraw/zinc/43/81/68/853438168.db2.gz SXARRDQJLUCNGG-LJQANCHMSA-N 2 2 396.362 3.701 20 0 GHADLP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000426325072 853438173 /nfs/dbraw/zinc/43/81/73/853438173.db2.gz SXARRDQJLUCNGG-LJQANCHMSA-N 2 2 396.362 3.701 20 0 GHADLP C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000414912174 853462104 /nfs/dbraw/zinc/46/21/04/853462104.db2.gz VGFFEQZITBJUKX-IXDOHACOSA-N 2 2 382.508 3.960 20 0 GHADLP C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000414912174 853462109 /nfs/dbraw/zinc/46/21/09/853462109.db2.gz VGFFEQZITBJUKX-IXDOHACOSA-N 2 2 382.508 3.960 20 0 GHADLP C[NH+](C)CCC[C@H]1CN(c2cc[nH+]c3c(Br)cccc23)CCO1 ZINC000664653988 853494986 /nfs/dbraw/zinc/49/49/86/853494986.db2.gz QOVLZCRWCPJYAH-AWEZNQCLSA-N 2 2 378.314 3.544 20 0 GHADLP O=C(C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000519904660 853612165 /nfs/dbraw/zinc/61/21/65/853612165.db2.gz WXZCFDHPRZPZAR-UHFFFAOYSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000519904660 853612168 /nfs/dbraw/zinc/61/21/68/853612168.db2.gz WXZCFDHPRZPZAR-UHFFFAOYSA-N 2 2 395.522 3.571 20 0 GHADLP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425930369 853651406 /nfs/dbraw/zinc/65/14/06/853651406.db2.gz WSFCWDUSBDLFHH-HXUWFJFHSA-N 2 2 378.438 3.774 20 0 GHADLP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425930369 853651411 /nfs/dbraw/zinc/65/14/11/853651411.db2.gz WSFCWDUSBDLFHH-HXUWFJFHSA-N 2 2 378.438 3.774 20 0 GHADLP C[NH+](Cc1ccc(C(F)(F)F)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425930369 853651416 /nfs/dbraw/zinc/65/14/16/853651416.db2.gz WSFCWDUSBDLFHH-HXUWFJFHSA-N 2 2 378.438 3.774 20 0 GHADLP C[NH+](Cc1ccc(C(F)(F)F)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425930369 853651421 /nfs/dbraw/zinc/65/14/21/853651421.db2.gz WSFCWDUSBDLFHH-HXUWFJFHSA-N 2 2 378.438 3.774 20 0 GHADLP COc1ccc(CC[C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1O ZINC000426397136 853693172 /nfs/dbraw/zinc/69/31/72/853693172.db2.gz RADGAVKHEZMTBV-HXUWFJFHSA-N 2 2 397.563 3.524 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1O ZINC000426397135 853693196 /nfs/dbraw/zinc/69/31/96/853693196.db2.gz RADGAVKHEZMTBV-FQEVSTJZSA-N 2 2 397.563 3.524 20 0 GHADLP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000571080101 853735122 /nfs/dbraw/zinc/73/51/22/853735122.db2.gz NSAFDLOWKFGPPK-KUHUBIRLSA-N 2 2 389.902 3.893 20 0 GHADLP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000571080101 853735127 /nfs/dbraw/zinc/73/51/27/853735127.db2.gz NSAFDLOWKFGPPK-KUHUBIRLSA-N 2 2 389.902 3.893 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC(C)(C)CC3CCCCCC3)CC2)CC1 ZINC000188175426 853817322 /nfs/dbraw/zinc/81/73/22/853817322.db2.gz LSQVSJXAAJTNKK-UHFFFAOYSA-N 2 2 392.632 3.983 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)Nc3ccc(OCC[N@H+]4CC[C@H](C)C4)cc3)ccn12 ZINC000571343197 853849009 /nfs/dbraw/zinc/84/90/09/853849009.db2.gz UDQNRTZSWMJZAN-INIZCTEOSA-N 2 2 378.476 3.616 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)Nc3ccc(OCC[N@@H+]4CC[C@H](C)C4)cc3)ccn12 ZINC000571343197 853849012 /nfs/dbraw/zinc/84/90/12/853849012.db2.gz UDQNRTZSWMJZAN-INIZCTEOSA-N 2 2 378.476 3.616 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(-c4ccc(F)cc4)cc3F)C2)CC1 ZINC000732781855 862507739 /nfs/dbraw/zinc/50/77/39/862507739.db2.gz UQPKZBHGKMMCKM-IBGZPJMESA-N 2 2 399.485 3.530 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(-c4ccc(F)cc4)cc3F)C2)CC1 ZINC000732781855 862507750 /nfs/dbraw/zinc/50/77/50/862507750.db2.gz UQPKZBHGKMMCKM-IBGZPJMESA-N 2 2 399.485 3.530 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2cccc(F)c2)c(C)c1 ZINC000441378603 854163382 /nfs/dbraw/zinc/16/33/82/854163382.db2.gz HYACXQHBNSGZKR-LAUBAEHRSA-N 2 2 380.467 3.997 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1 ZINC000441380099 854166039 /nfs/dbraw/zinc/16/60/39/854166039.db2.gz PGFWYVLHQGIRKL-LPHOPBHVSA-N 2 2 397.910 3.906 20 0 GHADLP Cc1cc(C[NH+]2CCN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)CC2)on1 ZINC000123272919 854320103 /nfs/dbraw/zinc/32/01/03/854320103.db2.gz IFJANXSTOZYYPW-UHFFFAOYSA-N 2 2 376.382 3.872 20 0 GHADLP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000328650298 854489851 /nfs/dbraw/zinc/48/98/51/854489851.db2.gz JBYCSHGRNAXYAR-IEBWSBKVSA-N 2 2 380.536 3.988 20 0 GHADLP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000328650298 854489855 /nfs/dbraw/zinc/48/98/55/854489855.db2.gz JBYCSHGRNAXYAR-IEBWSBKVSA-N 2 2 380.536 3.988 20 0 GHADLP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995823 854551977 /nfs/dbraw/zinc/55/19/77/854551977.db2.gz QZSGLNQHSXAMKR-GURQWTFNSA-N 2 2 377.573 3.723 20 0 GHADLP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995823 854551982 /nfs/dbraw/zinc/55/19/82/854551982.db2.gz QZSGLNQHSXAMKR-GURQWTFNSA-N 2 2 377.573 3.723 20 0 GHADLP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995823 854551984 /nfs/dbraw/zinc/55/19/84/854551984.db2.gz QZSGLNQHSXAMKR-GURQWTFNSA-N 2 2 377.573 3.723 20 0 GHADLP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995823 854551990 /nfs/dbraw/zinc/55/19/90/854551990.db2.gz QZSGLNQHSXAMKR-GURQWTFNSA-N 2 2 377.573 3.723 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000328968099 854635207 /nfs/dbraw/zinc/63/52/07/854635207.db2.gz TZLILJPKTYTOQN-OAQYLSRUSA-N 2 2 376.508 3.525 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000328968099 854635212 /nfs/dbraw/zinc/63/52/12/854635212.db2.gz TZLILJPKTYTOQN-OAQYLSRUSA-N 2 2 376.508 3.525 20 0 GHADLP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000589209494 854750615 /nfs/dbraw/zinc/75/06/15/854750615.db2.gz OHGOGFUXCMANRR-YJBOKZPZSA-N 2 2 398.954 3.646 20 0 GHADLP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000589209494 854750618 /nfs/dbraw/zinc/75/06/18/854750618.db2.gz OHGOGFUXCMANRR-YJBOKZPZSA-N 2 2 398.954 3.646 20 0 GHADLP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OCCC ZINC000765800365 854864734 /nfs/dbraw/zinc/86/47/34/854864734.db2.gz ZZTAIGCNTPODSE-DFQSSKMNSA-N 2 2 376.541 3.778 20 0 GHADLP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1OCCC ZINC000765800365 854864747 /nfs/dbraw/zinc/86/47/47/854864747.db2.gz ZZTAIGCNTPODSE-DFQSSKMNSA-N 2 2 376.541 3.778 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000623643351 855029165 /nfs/dbraw/zinc/02/91/65/855029165.db2.gz VKPAGUOEPXHSNI-HSZRJFAPSA-N 2 2 386.499 3.635 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000624085818 862635080 /nfs/dbraw/zinc/63/50/80/862635080.db2.gz DWKBQRGNPQHMSK-QGTPRVQTSA-N 2 2 384.351 3.559 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000624085818 862635084 /nfs/dbraw/zinc/63/50/84/862635084.db2.gz DWKBQRGNPQHMSK-QGTPRVQTSA-N 2 2 384.351 3.559 20 0 GHADLP C[C@@H](C[N@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000589705612 855116073 /nfs/dbraw/zinc/11/60/73/855116073.db2.gz HXNYGDRJFXWZIV-LEWJYISDSA-N 2 2 379.548 3.627 20 0 GHADLP C[C@@H](C[N@@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000589705612 855116079 /nfs/dbraw/zinc/11/60/79/855116079.db2.gz HXNYGDRJFXWZIV-LEWJYISDSA-N 2 2 379.548 3.627 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@]3(CO)C[C@@H]3c3ccc(F)cc3)CC2)cc1 ZINC000760039792 855607530 /nfs/dbraw/zinc/60/75/30/855607530.db2.gz FTHAODUUJCXIDG-RPWUZVMVSA-N 2 2 397.538 3.616 20 0 GHADLP C[C@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000591080031 855749854 /nfs/dbraw/zinc/74/98/54/855749854.db2.gz CSRYFTBCJCVOFN-UONOGXRCSA-N 2 2 388.581 3.856 20 0 GHADLP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000057847212 855765055 /nfs/dbraw/zinc/76/50/55/855765055.db2.gz WHDLKNHNAKTRBS-AWEZNQCLSA-N 2 2 396.919 3.629 20 0 GHADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000591140031 855775426 /nfs/dbraw/zinc/77/54/26/855775426.db2.gz YRVDKPBXYDHUBV-SFTDATJTSA-N 2 2 397.588 3.838 20 0 GHADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000591140031 855775434 /nfs/dbraw/zinc/77/54/34/855775434.db2.gz YRVDKPBXYDHUBV-SFTDATJTSA-N 2 2 397.588 3.838 20 0 GHADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000591140031 855775437 /nfs/dbraw/zinc/77/54/37/855775437.db2.gz YRVDKPBXYDHUBV-SFTDATJTSA-N 2 2 397.588 3.838 20 0 GHADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000591140031 855775443 /nfs/dbraw/zinc/77/54/43/855775443.db2.gz YRVDKPBXYDHUBV-SFTDATJTSA-N 2 2 397.588 3.838 20 0 GHADLP C[C@@H]1C[N@H+](CCCc2c(Cl)cccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000482158429 862753142 /nfs/dbraw/zinc/75/31/42/862753142.db2.gz SYVKSXREGKWSSR-OXQOHEQNSA-N 2 2 384.395 3.884 20 0 GHADLP C[C@@H]1C[N@@H+](CCCc2c(Cl)cccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000482158429 862753150 /nfs/dbraw/zinc/75/31/50/862753150.db2.gz SYVKSXREGKWSSR-OXQOHEQNSA-N 2 2 384.395 3.884 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)ccn12 ZINC000573385032 856133641 /nfs/dbraw/zinc/13/36/41/856133641.db2.gz MWVSMNLVGPPWMA-UTKZUKDTSA-N 2 2 376.504 3.768 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)ccn12 ZINC000573385032 856133649 /nfs/dbraw/zinc/13/36/49/856133649.db2.gz MWVSMNLVGPPWMA-UTKZUKDTSA-N 2 2 376.504 3.768 20 0 GHADLP CCCCC1CCC(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000591575159 856158637 /nfs/dbraw/zinc/15/86/37/856158637.db2.gz NWJUCQBGXNMHCE-UHFFFAOYSA-N 2 2 380.621 3.650 20 0 GHADLP CCCCC1CCC(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000591575159 856158647 /nfs/dbraw/zinc/15/86/47/856158647.db2.gz NWJUCQBGXNMHCE-UHFFFAOYSA-N 2 2 380.621 3.650 20 0 GHADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000895114229 856206626 /nfs/dbraw/zinc/20/66/26/856206626.db2.gz JESXLCILCSIKNG-VMXWJKLDSA-N 2 2 390.531 3.991 20 0 GHADLP CCN(CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000765755767 856232073 /nfs/dbraw/zinc/23/20/73/856232073.db2.gz YYGOHAJDCBRYOQ-QUCCMNQESA-N 2 2 390.572 3.529 20 0 GHADLP CCN(CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000765755767 856232081 /nfs/dbraw/zinc/23/20/81/856232081.db2.gz YYGOHAJDCBRYOQ-QUCCMNQESA-N 2 2 390.572 3.529 20 0 GHADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(Br)cc3F)CC2)C[C@H](C)O1 ZINC000060368475 856282243 /nfs/dbraw/zinc/28/22/43/856282243.db2.gz DKTVNZAJNLHWNB-GJZGRUSLSA-N 2 2 399.348 3.909 20 0 GHADLP O=C(C[NH2+][C@H](c1ccccc1)C1CCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000104699685 856370039 /nfs/dbraw/zinc/37/00/39/856370039.db2.gz GWPOHBUETMKQOS-XMMPIXPASA-N 2 2 393.531 3.588 20 0 GHADLP CC[NH+](CC)CC1CC[NH+](Cn2ncc3c2cccc3Br)CC1 ZINC000738072047 856378890 /nfs/dbraw/zinc/37/88/90/856378890.db2.gz YMLNBCQGBZPKDW-UHFFFAOYSA-N 2 2 379.346 3.810 20 0 GHADLP C[NH2+]CC1CC[NH+](Cc2ccc(Br)c(Br)c2)CC1 ZINC000220093356 856384576 /nfs/dbraw/zinc/38/45/76/856384576.db2.gz OYTMVZPHUDUPOS-UHFFFAOYSA-N 2 2 376.136 3.643 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NCc3ccccc3C[NH+]3CCC(C)CC3)ccn12 ZINC001128771297 856521798 /nfs/dbraw/zinc/52/17/98/856521798.db2.gz ZWIDEPPWIXIUKK-UHFFFAOYSA-N 2 2 376.504 3.805 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000169245369 857023521 /nfs/dbraw/zinc/02/35/21/857023521.db2.gz VWSTYGDDYAHJJQ-NRFANRHFSA-N 2 2 380.536 3.627 20 0 GHADLP COc1cc(OC)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1Cl ZINC000181410574 862865541 /nfs/dbraw/zinc/86/55/41/862865541.db2.gz QALBYTCVVNTFDQ-KYNGSXCRSA-N 2 2 396.959 3.776 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000282168136 857066500 /nfs/dbraw/zinc/06/65/00/857066500.db2.gz UWPAKNMZXWNLBA-LJQANCHMSA-N 2 2 394.519 3.630 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000282168136 857066509 /nfs/dbraw/zinc/06/65/09/857066509.db2.gz UWPAKNMZXWNLBA-LJQANCHMSA-N 2 2 394.519 3.630 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000265786053 857109521 /nfs/dbraw/zinc/10/95/21/857109521.db2.gz IPRCRGCSTZXPFV-FQEVSTJZSA-N 2 2 388.515 3.668 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000265786053 857109526 /nfs/dbraw/zinc/10/95/26/857109526.db2.gz IPRCRGCSTZXPFV-FQEVSTJZSA-N 2 2 388.515 3.668 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cccc(C(=O)N(C)C)c2)c(C)c1 ZINC000921920155 857121864 /nfs/dbraw/zinc/12/18/64/857121864.db2.gz HDLCVAKDPJSGOZ-QFIPXVFZSA-N 2 2 376.504 3.733 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+]C(C)(C)c3ccccc3)n2)CC1 ZINC000428225116 857206628 /nfs/dbraw/zinc/20/66/28/857206628.db2.gz RONSITGGFIRPHZ-UHFFFAOYSA-N 2 2 386.565 3.838 20 0 GHADLP CC(C)C[C@H]([NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000574078944 857214324 /nfs/dbraw/zinc/21/43/24/857214324.db2.gz CKEKLLYYTYYSRU-MSOLQXFVSA-N 2 2 386.565 3.557 20 0 GHADLP Cc1cccc([C@@H]2CCCCCN2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000605229985 862898871 /nfs/dbraw/zinc/89/88/71/862898871.db2.gz ZQXCLQIHDKSMGF-GMAHTHKFSA-N 2 2 398.595 3.790 20 0 GHADLP Cc1cccc([C@@H]2CCCCCN2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000605229985 862898884 /nfs/dbraw/zinc/89/88/84/862898884.db2.gz ZQXCLQIHDKSMGF-GMAHTHKFSA-N 2 2 398.595 3.790 20 0 GHADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NCC1(c2ccccc2)CCCCC1 ZINC000675620773 857525341 /nfs/dbraw/zinc/52/53/41/857525341.db2.gz LSCBSFLCTGYRLV-OAQYLSRUSA-N 2 2 380.536 3.538 20 0 GHADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NCC1(c2ccccc2)CCCCC1 ZINC000675620773 857525356 /nfs/dbraw/zinc/52/53/56/857525356.db2.gz LSCBSFLCTGYRLV-OAQYLSRUSA-N 2 2 380.536 3.538 20 0 GHADLP Brc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675883099 857660323 /nfs/dbraw/zinc/66/03/23/857660323.db2.gz WJMMRHRACKUUSJ-YJBOKZPZSA-N 2 2 395.341 3.506 20 0 GHADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919913 857666108 /nfs/dbraw/zinc/66/61/08/857666108.db2.gz PMLHJSPOOSBOIM-XLIONFOSSA-N 2 2 392.503 3.719 20 0 GHADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)cc2Br)CC1 ZINC000181660123 862959718 /nfs/dbraw/zinc/95/97/18/862959718.db2.gz NIVAXDIBALHJMV-CQSZACIVSA-N 2 2 385.346 3.609 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543025334 857931261 /nfs/dbraw/zinc/93/12/61/857931261.db2.gz SFBOTJOLAWAMRX-PKOBYXMFSA-N 2 2 392.906 3.796 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543025334 857931271 /nfs/dbraw/zinc/93/12/71/857931271.db2.gz SFBOTJOLAWAMRX-PKOBYXMFSA-N 2 2 392.906 3.796 20 0 GHADLP C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000151835926 858106391 /nfs/dbraw/zinc/10/63/91/858106391.db2.gz FRBCHOFCYJWDDD-DENIHFKCSA-N 2 2 395.551 3.662 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)c(F)c1)CCC2 ZINC000594505473 858197256 /nfs/dbraw/zinc/19/72/56/858197256.db2.gz VTFOLXROEQDIPX-HXUWFJFHSA-N 2 2 379.435 3.965 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)c(F)c1)CCC2 ZINC000594505470 858197350 /nfs/dbraw/zinc/19/73/50/858197350.db2.gz VTFOLXROEQDIPX-FQEVSTJZSA-N 2 2 379.435 3.965 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000443009758 858308827 /nfs/dbraw/zinc/30/88/27/858308827.db2.gz ZXAHOGXQENJBKZ-HXUWFJFHSA-N 2 2 378.438 3.740 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000443009758 858308837 /nfs/dbraw/zinc/30/88/37/858308837.db2.gz ZXAHOGXQENJBKZ-HXUWFJFHSA-N 2 2 378.438 3.740 20 0 GHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2nc(C)ccc2O)cc1 ZINC000574797020 858321016 /nfs/dbraw/zinc/32/10/16/858321016.db2.gz QJSTZFPZAWTPJH-UHFFFAOYSA-N 2 2 380.492 3.783 20 0 GHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2nc(C)ccc2O)cc1 ZINC000574797020 858321022 /nfs/dbraw/zinc/32/10/22/858321022.db2.gz QJSTZFPZAWTPJH-UHFFFAOYSA-N 2 2 380.492 3.783 20 0 GHADLP C[NH+]1CCC(C)(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000574909978 858392015 /nfs/dbraw/zinc/39/20/15/858392015.db2.gz ZTIDSHHORMFEMX-UHFFFAOYSA-N 2 2 381.524 3.740 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2cccc3c2CCCC3)([NH+]2CCCCC2)CC1 ZINC000466154137 858494739 /nfs/dbraw/zinc/49/47/39/858494739.db2.gz OCUBMLPEWHLIEI-UHFFFAOYSA-N 2 2 384.568 3.637 20 0 GHADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000575097835 858585335 /nfs/dbraw/zinc/58/53/35/858585335.db2.gz PPXKWAMECLTOSJ-KSEOMHKRSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000575097835 858585336 /nfs/dbraw/zinc/58/53/36/858585336.db2.gz PPXKWAMECLTOSJ-KSEOMHKRSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000575097835 858585344 /nfs/dbraw/zinc/58/53/44/858585344.db2.gz PPXKWAMECLTOSJ-KSEOMHKRSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000575097835 858585348 /nfs/dbraw/zinc/58/53/48/858585348.db2.gz PPXKWAMECLTOSJ-KSEOMHKRSA-N 2 2 377.532 3.776 20 0 GHADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)C1 ZINC000522147576 858670329 /nfs/dbraw/zinc/67/03/29/858670329.db2.gz QEFUXZXUBUQVTO-UGKGYDQZSA-N 2 2 397.950 3.525 20 0 GHADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)C1 ZINC000522147576 858670332 /nfs/dbraw/zinc/67/03/32/858670332.db2.gz QEFUXZXUBUQVTO-UGKGYDQZSA-N 2 2 397.950 3.525 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000482643619 858718329 /nfs/dbraw/zinc/71/83/29/858718329.db2.gz PWPQBZWHNKGLPR-JXFKEZNVSA-N 2 2 385.483 3.608 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000482643619 858718333 /nfs/dbraw/zinc/71/83/33/858718333.db2.gz PWPQBZWHNKGLPR-JXFKEZNVSA-N 2 2 385.483 3.608 20 0 GHADLP Cc1ccccc1COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000482648083 858722214 /nfs/dbraw/zinc/72/22/14/858722214.db2.gz QFFQOAMPHOTXCO-CVDCTZTESA-N 2 2 395.547 3.564 20 0 GHADLP Cc1ccccc1COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000482648083 858722217 /nfs/dbraw/zinc/72/22/17/858722217.db2.gz QFFQOAMPHOTXCO-CVDCTZTESA-N 2 2 395.547 3.564 20 0 GHADLP CN(C(=O)c1cccc2c1CCC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183672372 858792614 /nfs/dbraw/zinc/79/26/14/858792614.db2.gz ONGYBDDELXGFKX-PKTZIBPZSA-N 2 2 383.580 3.585 20 0 GHADLP CN(C(=O)c1cccc2c1CCC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183672372 858792615 /nfs/dbraw/zinc/79/26/15/858792615.db2.gz ONGYBDDELXGFKX-PKTZIBPZSA-N 2 2 383.580 3.585 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(F)cc(C)cc3F)C2)ccn1 ZINC000856548693 881361910 /nfs/dbraw/zinc/36/19/10/881361910.db2.gz MDKLUXHEMCPADE-GOSISDBHSA-N 2 2 375.463 3.773 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(F)cc(C)cc3F)C2)ccn1 ZINC000856548693 881361932 /nfs/dbraw/zinc/36/19/32/881361932.db2.gz MDKLUXHEMCPADE-GOSISDBHSA-N 2 2 375.463 3.773 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3c(F)cc(C)cc3F)C2)ccn1 ZINC000856548693 881361955 /nfs/dbraw/zinc/36/19/55/881361955.db2.gz MDKLUXHEMCPADE-GOSISDBHSA-N 2 2 375.463 3.773 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3c(F)cc(C)cc3F)C2)ccn1 ZINC000856548693 881361968 /nfs/dbraw/zinc/36/19/68/881361968.db2.gz MDKLUXHEMCPADE-GOSISDBHSA-N 2 2 375.463 3.773 20 0 GHADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000185598982 859100084 /nfs/dbraw/zinc/10/00/84/859100084.db2.gz YFOBONXRXITWHR-ROUUACIJSA-N 2 2 383.517 3.694 20 0 GHADLP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000185598966 859100144 /nfs/dbraw/zinc/10/01/44/859100144.db2.gz YFOBONXRXITWHR-MSOLQXFVSA-N 2 2 383.517 3.694 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)[C@H](C)C1 ZINC000483144903 859179439 /nfs/dbraw/zinc/17/94/39/859179439.db2.gz OKDGAKZVBQAYGF-GJYPPUQNSA-N 2 2 382.520 3.631 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)[C@H](C)C1 ZINC000483144903 859179445 /nfs/dbraw/zinc/17/94/45/859179445.db2.gz OKDGAKZVBQAYGF-GJYPPUQNSA-N 2 2 382.520 3.631 20 0 GHADLP Cc1c2cc(F)ccc2sc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472113 859283664 /nfs/dbraw/zinc/28/36/64/859283664.db2.gz DKWXNPKWARIOAQ-KRWDZBQOSA-N 2 2 389.540 3.589 20 0 GHADLP Cc1c2cc(F)ccc2sc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472113 859283671 /nfs/dbraw/zinc/28/36/71/859283671.db2.gz DKWXNPKWARIOAQ-KRWDZBQOSA-N 2 2 389.540 3.589 20 0 GHADLP CN(C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479049 859292056 /nfs/dbraw/zinc/29/20/56/859292056.db2.gz TVXDPEPCQZPBSG-HJOGWXRNSA-N 2 2 391.559 3.570 20 0 GHADLP CN(C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479049 859292063 /nfs/dbraw/zinc/29/20/63/859292063.db2.gz TVXDPEPCQZPBSG-HJOGWXRNSA-N 2 2 391.559 3.570 20 0 GHADLP CC(C)C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccs1 ZINC000051761235 859313289 /nfs/dbraw/zinc/31/32/89/859313289.db2.gz NGSDGYOVLPRRSJ-IBGZPJMESA-N 2 2 392.613 3.693 20 0 GHADLP Brc1cnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000895407184 859408637 /nfs/dbraw/zinc/40/86/37/859408637.db2.gz MYLSDLOEYBYYSG-MRXNPFEDSA-N 2 2 387.325 3.526 20 0 GHADLP Brc1cnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000895407184 859408645 /nfs/dbraw/zinc/40/86/45/859408645.db2.gz MYLSDLOEYBYYSG-MRXNPFEDSA-N 2 2 387.325 3.526 20 0 GHADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1ncc(Br)cn1 ZINC000626063280 859437183 /nfs/dbraw/zinc/43/71/83/859437183.db2.gz YGADXDGOVGIFJE-CQSZACIVSA-N 2 2 377.330 3.884 20 0 GHADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1ncc(Br)cn1 ZINC000626063280 859437188 /nfs/dbraw/zinc/43/71/88/859437188.db2.gz YGADXDGOVGIFJE-CQSZACIVSA-N 2 2 377.330 3.884 20 0 GHADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000483623790 859496359 /nfs/dbraw/zinc/49/63/59/859496359.db2.gz MTDWFLZUXGWCAP-STZQEDGTSA-N 2 2 395.551 3.675 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000764605173 859523785 /nfs/dbraw/zinc/52/37/85/859523785.db2.gz DQTCUOGAWYECGD-KRWDZBQOSA-N 2 2 381.520 3.843 20 0 GHADLP Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)n1 ZINC000483956217 859711419 /nfs/dbraw/zinc/71/14/19/859711419.db2.gz ZVGQUEDVGQJXCE-HXUWFJFHSA-N 2 2 389.503 3.735 20 0 GHADLP Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)n1 ZINC000483956217 859711426 /nfs/dbraw/zinc/71/14/26/859711426.db2.gz ZVGQUEDVGQJXCE-HXUWFJFHSA-N 2 2 389.503 3.735 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000483956219 859711509 /nfs/dbraw/zinc/71/15/09/859711509.db2.gz LNODKYHEOQDSHJ-NRFANRHFSA-N 2 2 378.451 3.557 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000483956219 859711513 /nfs/dbraw/zinc/71/15/13/859711513.db2.gz LNODKYHEOQDSHJ-NRFANRHFSA-N 2 2 378.451 3.557 20 0 GHADLP c1ccc([C@H]2C[C@@H]([NH2+]Cc3ccnc(-c4ccccn4)n3)CC[N@@H+]2C2CC2)cc1 ZINC000895609270 859714836 /nfs/dbraw/zinc/71/48/36/859714836.db2.gz JHIXDZHETHPPMM-WMZHIEFXSA-N 2 2 385.515 3.996 20 0 GHADLP c1ccc([C@H]2C[C@@H]([NH2+]Cc3ccnc(-c4ccccn4)n3)CC[N@H+]2C2CC2)cc1 ZINC000895609270 859714844 /nfs/dbraw/zinc/71/48/44/859714844.db2.gz JHIXDZHETHPPMM-WMZHIEFXSA-N 2 2 385.515 3.996 20 0 GHADLP O[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000895676976 859782318 /nfs/dbraw/zinc/78/23/18/859782318.db2.gz GSZSTUAIQDETSS-NUEKZKHPSA-N 2 2 378.385 3.503 20 0 GHADLP O[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000895676976 859782327 /nfs/dbraw/zinc/78/23/27/859782327.db2.gz GSZSTUAIQDETSS-NUEKZKHPSA-N 2 2 378.385 3.503 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)nnn1-c1ccccc1 ZINC000484125759 859816759 /nfs/dbraw/zinc/81/67/59/859816759.db2.gz BNZOZOBCNHZICJ-QGZVFWFLSA-N 2 2 376.508 3.599 20 0 GHADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474318803 859828628 /nfs/dbraw/zinc/82/86/28/859828628.db2.gz QZVTYENNHPBVOA-UHFFFAOYSA-N 2 2 386.499 3.827 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(Oc4ccc(F)cc4)cc3)C2)CC1 ZINC000602202931 859847865 /nfs/dbraw/zinc/84/78/65/859847865.db2.gz AGICSOIIILFXDO-LJQANCHMSA-N 2 2 397.494 3.516 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(Oc4ccc(F)cc4)cc3)C2)CC1 ZINC000602202931 859847880 /nfs/dbraw/zinc/84/78/80/859847880.db2.gz AGICSOIIILFXDO-LJQANCHMSA-N 2 2 397.494 3.516 20 0 GHADLP CC(C)c1ccc(C2(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CCCC2)cc1 ZINC000602202413 859848507 /nfs/dbraw/zinc/84/85/07/859848507.db2.gz JNXSAZWUAPPCAS-QFIPXVFZSA-N 2 2 397.607 3.907 20 0 GHADLP CC(C)c1ccc(C2(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CCCC2)cc1 ZINC000602202413 859848515 /nfs/dbraw/zinc/84/85/15/859848515.db2.gz JNXSAZWUAPPCAS-QFIPXVFZSA-N 2 2 397.607 3.907 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000484178713 859866487 /nfs/dbraw/zinc/86/64/87/859866487.db2.gz XGVRBSVPCGJFCK-OXQOHEQNSA-N 2 2 389.337 3.737 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000484178713 859866498 /nfs/dbraw/zinc/86/64/98/859866498.db2.gz XGVRBSVPCGJFCK-OXQOHEQNSA-N 2 2 389.337 3.737 20 0 GHADLP COc1cc2c(cc1OC)[C@H]([NH2+]C1CC[NH+]([C@@H](C)c3ccncc3)CC1)CC2 ZINC000280270876 860093950 /nfs/dbraw/zinc/09/39/50/860093950.db2.gz XWDONLGKUKGTTG-HRAATJIYSA-N 2 2 381.520 3.901 20 0 GHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000023480226 860293811 /nfs/dbraw/zinc/29/38/11/860293811.db2.gz PABDWONQEJYLEW-UHFFFAOYSA-N 2 2 376.504 3.733 20 0 GHADLP Cc1ccc([C@H](CN[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[NH+]2CCCC2)o1 ZINC000765606165 860316453 /nfs/dbraw/zinc/31/64/53/860316453.db2.gz BOIDUYONTMJVER-ODGPQVTHSA-N 2 2 397.563 3.604 20 0 GHADLP COC(=O)c1cc(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)n2c1CCCC2 ZINC000598641668 860469865 /nfs/dbraw/zinc/46/98/65/860469865.db2.gz SUDRXIKPBDARQR-UHFFFAOYSA-N 2 2 399.510 3.504 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cs1)c1ccc(F)cc1 ZINC000172116655 860504066 /nfs/dbraw/zinc/50/40/66/860504066.db2.gz RWBMHWXQVXISCH-AWEZNQCLSA-N 2 2 387.484 3.589 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n2c1CCCC2 ZINC000598671382 860509064 /nfs/dbraw/zinc/50/90/64/860509064.db2.gz BDCRJSLJAYEZTM-KRWDZBQOSA-N 2 2 396.535 3.523 20 0 GHADLP COC(=O)c1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n2c1CCCC2 ZINC000598671382 860509066 /nfs/dbraw/zinc/50/90/66/860509066.db2.gz BDCRJSLJAYEZTM-KRWDZBQOSA-N 2 2 396.535 3.523 20 0 GHADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccccc1Br ZINC000116397072 860560269 /nfs/dbraw/zinc/56/02/69/860560269.db2.gz HJSZKXYEYMKPPL-BBRMVZONSA-N 2 2 384.362 3.732 20 0 GHADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccccc1Br ZINC000116397078 860560284 /nfs/dbraw/zinc/56/02/84/860560284.db2.gz HJSZKXYEYMKPPL-XJKSGUPXSA-N 2 2 384.362 3.732 20 0 GHADLP FC(F)(F)Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000537629128 881564146 /nfs/dbraw/zinc/56/41/46/881564146.db2.gz UIAMGHAGTFUVFQ-FQEVSTJZSA-N 2 2 392.469 3.934 20 0 GHADLP FC(F)(F)Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000537629128 881564148 /nfs/dbraw/zinc/56/41/48/881564148.db2.gz UIAMGHAGTFUVFQ-FQEVSTJZSA-N 2 2 392.469 3.934 20 0 GHADLP FC(F)(F)Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000537629128 881564156 /nfs/dbraw/zinc/56/41/56/881564156.db2.gz UIAMGHAGTFUVFQ-FQEVSTJZSA-N 2 2 392.469 3.934 20 0 GHADLP FC(F)(F)Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000537629128 881564162 /nfs/dbraw/zinc/56/41/62/881564162.db2.gz UIAMGHAGTFUVFQ-FQEVSTJZSA-N 2 2 392.469 3.934 20 0 GHADLP CC(C)Sc1cccc(Cl)c1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000474715250 860672001 /nfs/dbraw/zinc/67/20/01/860672001.db2.gz UMUYNRCBYYLEMN-HNNXBMFYSA-N 2 2 383.989 3.518 20 0 GHADLP CC(C)Sc1cccc(Cl)c1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000474715250 860672005 /nfs/dbraw/zinc/67/20/05/860672005.db2.gz UMUYNRCBYYLEMN-HNNXBMFYSA-N 2 2 383.989 3.518 20 0 GHADLP CCCC[N@H+](C)CC1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000098033634 860701591 /nfs/dbraw/zinc/70/15/91/860701591.db2.gz LHPDMSRPMMPERX-UHFFFAOYSA-N 2 2 383.540 3.526 20 0 GHADLP CCCC[N@@H+](C)CC1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000098033634 860701600 /nfs/dbraw/zinc/70/16/00/860701600.db2.gz LHPDMSRPMMPERX-UHFFFAOYSA-N 2 2 383.540 3.526 20 0 GHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474762525 860730773 /nfs/dbraw/zinc/73/07/73/860730773.db2.gz LDXACZHKSCLSLZ-NHCUHLMSSA-N 2 2 399.510 3.727 20 0 GHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474762525 860730781 /nfs/dbraw/zinc/73/07/81/860730781.db2.gz LDXACZHKSCLSLZ-NHCUHLMSSA-N 2 2 399.510 3.727 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])cs2)cc1OC ZINC000489794753 860754801 /nfs/dbraw/zinc/75/48/01/860754801.db2.gz HFAPYIRWUGVCQQ-QGZVFWFLSA-N 2 2 375.538 3.921 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3CC[NH3+])cs2)cc1OC ZINC000489794753 860754809 /nfs/dbraw/zinc/75/48/09/860754809.db2.gz HFAPYIRWUGVCQQ-QGZVFWFLSA-N 2 2 375.538 3.921 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCCNc1cccc[nH+]1 ZINC000532234631 881588055 /nfs/dbraw/zinc/58/80/55/881588055.db2.gz GDYIFMYPNQQVRL-AWEZNQCLSA-N 2 2 380.414 3.909 20 0 GHADLP Brc1ccc(-c2n[nH]cc2C[NH2+]CCCCn2cc[nH+]c2)s1 ZINC000623371635 860956323 /nfs/dbraw/zinc/95/63/23/860956323.db2.gz LVSQNPSPWRRIIC-UHFFFAOYSA-N 2 2 380.315 3.667 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1-n1cccn1 ZINC000481312416 861013746 /nfs/dbraw/zinc/01/37/46/861013746.db2.gz IHRDXURNCSIURY-IBGZPJMESA-N 2 2 376.504 3.555 20 0 GHADLP FC(F)(F)[C@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@H](C(F)(F)F)C3)COC2)C1 ZINC000182005236 863083124 /nfs/dbraw/zinc/08/31/24/863083124.db2.gz MBZIDHOKVFEEOH-KBPBESRZSA-N 2 2 388.396 3.552 20 0 GHADLP FC(F)(F)[C@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)COC2)C1 ZINC000182005236 863083136 /nfs/dbraw/zinc/08/31/36/863083136.db2.gz MBZIDHOKVFEEOH-KBPBESRZSA-N 2 2 388.396 3.552 20 0 GHADLP CC[NH+](CC)CCCC1CC[NH+](CC(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000182742495 863344285 /nfs/dbraw/zinc/34/42/85/863344285.db2.gz BACPRHSDEYHOKU-UHFFFAOYSA-N 2 2 375.557 3.851 20 0 GHADLP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cc2)c1 ZINC000494415076 881691933 /nfs/dbraw/zinc/69/19/33/881691933.db2.gz QOLUDOCQDXGKNV-KRWDZBQOSA-N 2 2 379.460 3.797 20 0 GHADLP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000494422925 881701624 /nfs/dbraw/zinc/70/16/24/881701624.db2.gz CWPIRARNJZDSKJ-QGZVFWFLSA-N 2 2 375.501 3.902 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158648878 863900159 /nfs/dbraw/zinc/90/01/59/863900159.db2.gz GAHYVKAECFRKCI-OIBXWCBGSA-N 2 2 393.531 3.791 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158648878 863900170 /nfs/dbraw/zinc/90/01/70/863900170.db2.gz GAHYVKAECFRKCI-OIBXWCBGSA-N 2 2 393.531 3.791 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000158648878 863900180 /nfs/dbraw/zinc/90/01/80/863900180.db2.gz GAHYVKAECFRKCI-OIBXWCBGSA-N 2 2 393.531 3.791 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158648878 863900191 /nfs/dbraw/zinc/90/01/91/863900191.db2.gz GAHYVKAECFRKCI-OIBXWCBGSA-N 2 2 393.531 3.791 20 0 GHADLP CC[N@H+](CCCc1cnn(C)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000607153308 864117676 /nfs/dbraw/zinc/11/76/76/864117676.db2.gz NIRRQRGVROSNPW-UHFFFAOYSA-N 2 2 384.572 3.565 20 0 GHADLP CC[N@@H+](CCCc1cnn(C)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000607153308 864117679 /nfs/dbraw/zinc/11/76/79/864117679.db2.gz NIRRQRGVROSNPW-UHFFFAOYSA-N 2 2 384.572 3.565 20 0 GHADLP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)c2)C1 ZINC000856770480 881734992 /nfs/dbraw/zinc/73/49/92/881734992.db2.gz RXPNRJFPJPDSSF-JOCHJYFZSA-N 2 2 388.515 3.671 20 0 GHADLP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)c2)C1 ZINC000856770480 881734999 /nfs/dbraw/zinc/73/49/99/881734999.db2.gz RXPNRJFPJPDSSF-JOCHJYFZSA-N 2 2 388.515 3.671 20 0 GHADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1Oc1ccccc1 ZINC000480170176 864187498 /nfs/dbraw/zinc/18/74/98/864187498.db2.gz NNBJWXVYCKOQKU-ZLNRFVROSA-N 2 2 377.488 3.646 20 0 GHADLP COc1cc2c(cc1C[N@H+]1CCC[C@H](c3[nH+]cc4n3CCCC4)C1)O[C@@H](C)C2 ZINC000554558745 864549229 /nfs/dbraw/zinc/54/92/29/864549229.db2.gz SYQSKRHKJPLOSQ-IRXDYDNUSA-N 2 2 381.520 3.931 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)s1 ZINC000475200679 864565247 /nfs/dbraw/zinc/56/52/47/864565247.db2.gz DSUVRAIEDBQRSU-DOTOQJQBSA-N 2 2 384.611 3.674 20 0 GHADLP C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@@H]1c1cccs1 ZINC000554580929 864593292 /nfs/dbraw/zinc/59/32/92/864593292.db2.gz SVVOOIHWDLLKQK-TZIWHRDSSA-N 2 2 394.544 3.806 20 0 GHADLP C[N@H+]1CCC[C@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@@H]1c1cccs1 ZINC000554580929 864593295 /nfs/dbraw/zinc/59/32/95/864593295.db2.gz SVVOOIHWDLLKQK-TZIWHRDSSA-N 2 2 394.544 3.806 20 0 GHADLP CN(C(=O)Nc1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165547168 864683063 /nfs/dbraw/zinc/68/30/63/864683063.db2.gz UHQXLEIGOKDYCU-UXHICEINSA-N 2 2 376.520 3.627 20 0 GHADLP CN(C(=O)Nc1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165547168 864683070 /nfs/dbraw/zinc/68/30/70/864683070.db2.gz UHQXLEIGOKDYCU-UXHICEINSA-N 2 2 376.520 3.627 20 0 GHADLP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000480482039 864708092 /nfs/dbraw/zinc/70/80/92/864708092.db2.gz ZMTCHMHRGISNNK-RDPSFJRHSA-N 2 2 390.531 3.905 20 0 GHADLP C[C@]12CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@H]1C2(Cl)Cl ZINC000792913504 881807757 /nfs/dbraw/zinc/80/77/57/881807757.db2.gz UYYSJYPCEJIOFZ-QRVBRYPASA-N 2 2 383.363 3.793 20 0 GHADLP C[C@]12CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@H]1C2(Cl)Cl ZINC000792913504 881807770 /nfs/dbraw/zinc/80/77/70/881807770.db2.gz UYYSJYPCEJIOFZ-QRVBRYPASA-N 2 2 383.363 3.793 20 0 GHADLP C[C@]12CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C[C@H]1C2(Cl)Cl ZINC000792913504 881807783 /nfs/dbraw/zinc/80/77/83/881807783.db2.gz UYYSJYPCEJIOFZ-QRVBRYPASA-N 2 2 383.363 3.793 20 0 GHADLP C[C@]12CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C[C@H]1C2(Cl)Cl ZINC000792913504 881807796 /nfs/dbraw/zinc/80/77/96/881807796.db2.gz UYYSJYPCEJIOFZ-QRVBRYPASA-N 2 2 383.363 3.793 20 0 GHADLP CCCC[NH+]1CCC(Nc2cc(NC3CC[NH+](CCCC)CC3)[nH+]cn2)CC1 ZINC000475360097 864856089 /nfs/dbraw/zinc/85/60/89/864856089.db2.gz FWTZLADCNDFBKF-UHFFFAOYSA-N 3 2 388.604 3.829 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cc(=O)oc2cc(O)ccc12 ZINC000184748381 864908423 /nfs/dbraw/zinc/90/84/23/864908423.db2.gz LYCQXRRDYJNCAF-IAGOWNOFSA-N 2 2 392.499 3.745 20 0 GHADLP Cc1c(O)ccc2c(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cc(=O)oc12 ZINC000735870567 865016439 /nfs/dbraw/zinc/01/64/39/865016439.db2.gz BBZVQFBOBBUQEG-GOSISDBHSA-N 2 2 384.520 3.895 20 0 GHADLP Cc1c(O)ccc2c(C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cc(=O)oc12 ZINC000735870567 865016453 /nfs/dbraw/zinc/01/64/53/865016453.db2.gz BBZVQFBOBBUQEG-GOSISDBHSA-N 2 2 384.520 3.895 20 0 GHADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)o1 ZINC000132981315 881848381 /nfs/dbraw/zinc/84/83/81/881848381.db2.gz NVRRYQCDMZSHFZ-UHFFFAOYSA-N 2 2 391.471 3.887 20 0 GHADLP COC(=O)c1ccc(-c2ccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)o2)cc1 ZINC000132981542 881848968 /nfs/dbraw/zinc/84/89/68/881848968.db2.gz VWVDILIHZPIMIJ-UHFFFAOYSA-N 2 2 391.471 3.887 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+]2CCSCC2)CCCC1 ZINC000480773356 865272095 /nfs/dbraw/zinc/27/20/95/865272095.db2.gz XAKZGUXPUUIPIX-IFMALSPDSA-N 2 2 387.637 3.848 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+]2CCSCC2)CCCC1 ZINC000480773356 865272103 /nfs/dbraw/zinc/27/21/03/865272103.db2.gz XAKZGUXPUUIPIX-IFMALSPDSA-N 2 2 387.637 3.848 20 0 GHADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000480775500 865275142 /nfs/dbraw/zinc/27/51/42/865275142.db2.gz YBEXDRVPXTYJAY-CVDCTZTESA-N 2 2 379.548 3.928 20 0 GHADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000480775500 865275153 /nfs/dbraw/zinc/27/51/53/865275153.db2.gz YBEXDRVPXTYJAY-CVDCTZTESA-N 2 2 379.548 3.928 20 0 GHADLP Cn1cc[nH+]c1C[C@H](NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC000608434488 865331333 /nfs/dbraw/zinc/33/13/33/865331333.db2.gz FATZZQXVXRZSCD-LEWJYISDSA-N 2 2 397.567 3.514 20 0 GHADLP CCCC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(=O)Nc1cc(C)on1 ZINC000171976583 865432827 /nfs/dbraw/zinc/43/28/27/865432827.db2.gz RYCPYXLMDCDJKE-NRFANRHFSA-N 2 2 398.551 3.777 20 0 GHADLP Fc1ccc2c(NCc3ccccc3OCC[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000301574703 865433497 /nfs/dbraw/zinc/43/34/97/865433497.db2.gz ZKARNZPQJKTOOE-UHFFFAOYSA-N 2 2 381.451 3.697 20 0 GHADLP CC(C)c1nc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)nc(N(C)C)n1 ZINC000301965648 865638455 /nfs/dbraw/zinc/63/84/55/865638455.db2.gz KHOKVWCQXTUSBC-UHFFFAOYSA-N 2 2 397.571 3.583 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000481177881 865932525 /nfs/dbraw/zinc/93/25/25/865932525.db2.gz RGYVPFRITFIOJT-FUHWJXTLSA-N 2 2 394.544 3.735 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000481177881 865932531 /nfs/dbraw/zinc/93/25/31/865932531.db2.gz RGYVPFRITFIOJT-FUHWJXTLSA-N 2 2 394.544 3.735 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(F)c1 ZINC000481178643 865934784 /nfs/dbraw/zinc/93/47/84/865934784.db2.gz SPIQKXGLQCTTAW-LVCYWYKZSA-N 2 2 383.511 3.961 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(F)c1 ZINC000481178643 865934789 /nfs/dbraw/zinc/93/47/89/865934789.db2.gz SPIQKXGLQCTTAW-LVCYWYKZSA-N 2 2 383.511 3.961 20 0 GHADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001170425435 881924428 /nfs/dbraw/zinc/92/44/28/881924428.db2.gz PFQPBTMSCKTDRP-IBGZPJMESA-N 2 2 382.504 3.696 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481196478 865985320 /nfs/dbraw/zinc/98/53/20/865985320.db2.gz ZIBYDGOURZEORM-HFMPRLQTSA-N 2 2 393.575 3.924 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481196478 865985324 /nfs/dbraw/zinc/98/53/24/865985324.db2.gz ZIBYDGOURZEORM-HFMPRLQTSA-N 2 2 393.575 3.924 20 0 GHADLP O=C(C[NH+]1CCC(C(F)F)CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534136360 866191568 /nfs/dbraw/zinc/19/15/68/866191568.db2.gz IOSPOQRBOFVCDQ-GOSISDBHSA-N 2 2 399.913 3.570 20 0 GHADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000620190626 866522563 /nfs/dbraw/zinc/52/25/63/866522563.db2.gz XVFBONMCBZMGDE-UHFFFAOYSA-N 2 2 380.536 3.660 20 0 GHADLP CC(C)[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000508617106 881997989 /nfs/dbraw/zinc/99/79/89/881997989.db2.gz XITFAAWFZIDQIL-KNKQGSTJSA-N 2 2 387.568 3.745 20 0 GHADLP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)C2)CC1 ZINC000553072883 866746342 /nfs/dbraw/zinc/74/63/42/866746342.db2.gz VIFDJFJYJWLBDK-RBBKRZOGSA-N 2 2 394.563 3.902 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000153647761 867002999 /nfs/dbraw/zinc/00/29/99/867002999.db2.gz GFAJZBNXHBBCPO-KRWDZBQOSA-N 3 2 382.483 3.803 20 0 GHADLP C[C@@H]1C[NH+](CCCNc2cc[nH+]c3c(Br)cccc23)C[C@@H](C)O1 ZINC000523299018 867012889 /nfs/dbraw/zinc/01/28/89/867012889.db2.gz UBGUJSUOYUFEDX-ZIAGYGMSSA-N 2 2 378.314 3.909 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153674673 867018092 /nfs/dbraw/zinc/01/80/92/867018092.db2.gz VFBRRSMVEJZXKV-LPHOPBHVSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000153674673 867018109 /nfs/dbraw/zinc/01/81/09/867018109.db2.gz VFBRRSMVEJZXKV-LPHOPBHVSA-N 2 2 377.960 3.684 20 0 GHADLP CC[N@H+](CCO[C@H]1CCCCO1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000444670835 867040202 /nfs/dbraw/zinc/04/02/02/867040202.db2.gz XPLBVYGTSKMUQX-NRFANRHFSA-N 2 2 390.572 3.742 20 0 GHADLP CC[N@@H+](CCO[C@H]1CCCCO1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000444670835 867040211 /nfs/dbraw/zinc/04/02/11/867040211.db2.gz XPLBVYGTSKMUQX-NRFANRHFSA-N 2 2 390.572 3.742 20 0 GHADLP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2cccnc2Cl)CC1 ZINC000742373434 867267145 /nfs/dbraw/zinc/26/71/45/867267145.db2.gz DGVFNXKXDGCNGI-UHFFFAOYSA-N 2 2 398.860 3.795 20 0 GHADLP C[C@@]1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793344820 882092156 /nfs/dbraw/zinc/09/21/56/882092156.db2.gz WRZWZHHLWBMNAC-OAQYLSRUSA-N 2 2 396.516 3.825 20 0 GHADLP CC[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(F)ccc1F ZINC000155159680 867775728 /nfs/dbraw/zinc/77/57/28/867775728.db2.gz QUZOJOGBGPOPQS-QFIPXVFZSA-N 2 2 390.474 3.917 20 0 GHADLP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(OC)cc1 ZINC000155164734 867778920 /nfs/dbraw/zinc/77/89/20/867778920.db2.gz LHCUISJUWBWARG-HSZRJFAPSA-N 2 2 384.520 3.647 20 0 GHADLP C[C@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000156225762 868294274 /nfs/dbraw/zinc/29/42/74/868294274.db2.gz RMJUSDNPWNFIKY-LGVFNWMJSA-N 3 2 380.580 3.792 20 0 GHADLP C[C@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000156225762 868294293 /nfs/dbraw/zinc/29/42/93/868294293.db2.gz RMJUSDNPWNFIKY-LGVFNWMJSA-N 3 2 380.580 3.792 20 0 GHADLP C[C@H](CC[NH2+][C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000156225762 868294309 /nfs/dbraw/zinc/29/43/09/868294309.db2.gz RMJUSDNPWNFIKY-LGVFNWMJSA-N 3 2 380.580 3.792 20 0 GHADLP C[C@H](CC[NH2+][C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000156225762 868294325 /nfs/dbraw/zinc/29/43/25/868294325.db2.gz RMJUSDNPWNFIKY-LGVFNWMJSA-N 3 2 380.580 3.792 20 0 GHADLP CC(C)(CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[NH+]1CCCCC1 ZINC000535324219 868549134 /nfs/dbraw/zinc/54/91/34/868549134.db2.gz CEFUYGIKWZXCTF-UHFFFAOYSA-N 2 2 393.535 3.988 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000157392061 868643669 /nfs/dbraw/zinc/64/36/69/868643669.db2.gz XPLOAFBRGXTPEM-ZWOKBUDYSA-N 2 2 377.960 3.856 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000157392061 868643672 /nfs/dbraw/zinc/64/36/72/868643672.db2.gz XPLOAFBRGXTPEM-ZWOKBUDYSA-N 2 2 377.960 3.856 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)ccc1-n1cncn1 ZINC000479878927 868646728 /nfs/dbraw/zinc/64/67/28/868646728.db2.gz FLQNDXZDYFCFEJ-QHCPKHFHSA-N 2 2 375.520 3.576 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)ccc1-n1cncn1 ZINC000479878927 868646735 /nfs/dbraw/zinc/64/67/35/868646735.db2.gz FLQNDXZDYFCFEJ-QHCPKHFHSA-N 2 2 375.520 3.576 20 0 GHADLP COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000479906074 868707387 /nfs/dbraw/zinc/70/73/87/868707387.db2.gz YHSZMSAYILFZRV-INIZCTEOSA-N 2 2 388.483 3.526 20 0 GHADLP COc1cc2c(NCc3ccc(C[NH+]4CCOCC4)cc3)cc[nH+]c2cc1F ZINC000479906783 868709576 /nfs/dbraw/zinc/70/95/76/868709576.db2.gz ADMVGBJHTZMKOD-UHFFFAOYSA-N 2 2 381.451 3.827 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000157646185 868716969 /nfs/dbraw/zinc/71/69/69/868716969.db2.gz RPEAXLLFIGSZPH-UHFFFAOYSA-N 2 2 396.535 3.969 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000157646185 868716978 /nfs/dbraw/zinc/71/69/78/868716978.db2.gz RPEAXLLFIGSZPH-UHFFFAOYSA-N 2 2 396.535 3.969 20 0 GHADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000155508482 868831264 /nfs/dbraw/zinc/83/12/64/868831264.db2.gz ZFOPSQXGDWQHRU-UHFFFAOYSA-N 2 2 382.426 3.854 20 0 GHADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000155508482 868831276 /nfs/dbraw/zinc/83/12/76/868831276.db2.gz ZFOPSQXGDWQHRU-UHFFFAOYSA-N 2 2 382.426 3.854 20 0 GHADLP C[C@H]([NH2+]Cc1nnc2n1CCC[C@@H]2C(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000925173007 868977621 /nfs/dbraw/zinc/97/76/21/868977621.db2.gz WKFXRHZCPAEYOO-BBRMVZONSA-N 2 2 381.446 3.630 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000766325792 869331381 /nfs/dbraw/zinc/33/13/81/869331381.db2.gz OCFDMVBGIJTMHQ-DCLXLUIPSA-N 2 2 390.531 3.812 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-n2cccn2)cc1 ZINC000539658045 869543635 /nfs/dbraw/zinc/54/36/35/869543635.db2.gz LPECGTHIIDCCOE-UWJYYQICSA-N 2 2 376.508 3.581 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(-c3cccnc3)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000539831422 869868309 /nfs/dbraw/zinc/86/83/09/869868309.db2.gz NFAIHEZHFBWTIC-XMSQKQJNSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(-c3cccnc3)n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000539831422 869868323 /nfs/dbraw/zinc/86/83/23/869868323.db2.gz NFAIHEZHFBWTIC-XMSQKQJNSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(-c3cccnc3)n[nH]2)CC[NH+]1Cc1ccccc1 ZINC000539831422 869868332 /nfs/dbraw/zinc/86/83/32/869868332.db2.gz NFAIHEZHFBWTIC-XMSQKQJNSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(-c3cccnc3)n[nH]2)CC[NH+]1Cc1ccccc1 ZINC000539831422 869868339 /nfs/dbraw/zinc/86/83/39/869868339.db2.gz NFAIHEZHFBWTIC-XMSQKQJNSA-N 2 2 375.520 3.957 20 0 GHADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000525177872 870113901 /nfs/dbraw/zinc/11/39/01/870113901.db2.gz RSZIHKTWMAONQS-VXKWHMMOSA-N 2 2 395.547 3.896 20 0 GHADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000525177872 870113909 /nfs/dbraw/zinc/11/39/09/870113909.db2.gz RSZIHKTWMAONQS-VXKWHMMOSA-N 2 2 395.547 3.896 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248165932 870307217 /nfs/dbraw/zinc/30/72/17/870307217.db2.gz SXNVZRKHSSQLSO-WXFUMESZSA-N 2 2 391.559 3.503 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248165932 870307236 /nfs/dbraw/zinc/30/72/36/870307236.db2.gz SXNVZRKHSSQLSO-WXFUMESZSA-N 2 2 391.559 3.503 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248165932 870307249 /nfs/dbraw/zinc/30/72/49/870307249.db2.gz SXNVZRKHSSQLSO-WXFUMESZSA-N 2 2 391.559 3.503 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248165932 870307260 /nfs/dbraw/zinc/30/72/60/870307260.db2.gz SXNVZRKHSSQLSO-WXFUMESZSA-N 2 2 391.559 3.503 20 0 GHADLP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000248508365 870464198 /nfs/dbraw/zinc/46/41/98/870464198.db2.gz YBURCXANBYXPLX-VWNXMTODSA-N 2 2 391.490 3.667 20 0 GHADLP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000248508365 870464215 /nfs/dbraw/zinc/46/42/15/870464215.db2.gz YBURCXANBYXPLX-VWNXMTODSA-N 2 2 391.490 3.667 20 0 GHADLP COC(=O)c1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n(C)c1C ZINC000462942643 870472894 /nfs/dbraw/zinc/47/28/94/870472894.db2.gz GCAHYJONIDHASN-PXNSSMCTSA-N 2 2 383.536 3.605 20 0 GHADLP COC(=O)c1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n(C)c1C ZINC000462942643 870472903 /nfs/dbraw/zinc/47/29/03/870472903.db2.gz GCAHYJONIDHASN-PXNSSMCTSA-N 2 2 383.536 3.605 20 0 GHADLP COC(=O)c1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n(C)c1C ZINC000462942643 870472911 /nfs/dbraw/zinc/47/29/11/870472911.db2.gz GCAHYJONIDHASN-PXNSSMCTSA-N 2 2 383.536 3.605 20 0 GHADLP COC(=O)c1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n(C)c1C ZINC000462942643 870472914 /nfs/dbraw/zinc/47/29/14/870472914.db2.gz GCAHYJONIDHASN-PXNSSMCTSA-N 2 2 383.536 3.605 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC2CC2)c(F)c1 ZINC001192576000 870506517 /nfs/dbraw/zinc/50/65/17/870506517.db2.gz ZVDJBFOZHSTBOP-MHECFPHRSA-N 2 2 398.522 3.902 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC2CC2)c(F)c1 ZINC001192576000 870506526 /nfs/dbraw/zinc/50/65/26/870506526.db2.gz ZVDJBFOZHSTBOP-MHECFPHRSA-N 2 2 398.522 3.902 20 0 GHADLP C[NH+](C)CCCC1CC[NH+](CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1 ZINC000766381358 870668638 /nfs/dbraw/zinc/66/86/38/870668638.db2.gz NEXDCLGRNICXFJ-UHFFFAOYSA-N 2 2 398.334 3.601 20 0 GHADLP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000463065531 870815546 /nfs/dbraw/zinc/81/55/46/870815546.db2.gz SFFQCVUOFXQHBW-IOMROCGXSA-N 2 2 383.540 3.531 20 0 GHADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000463065531 870815558 /nfs/dbraw/zinc/81/55/58/870815558.db2.gz SFFQCVUOFXQHBW-IOMROCGXSA-N 2 2 383.540 3.531 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000463126124 870936913 /nfs/dbraw/zinc/93/69/13/870936913.db2.gz YHSNEVCHMBLGFQ-KOVSNXQUSA-N 3 2 387.612 3.766 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000463126124 870936929 /nfs/dbraw/zinc/93/69/29/870936929.db2.gz YHSNEVCHMBLGFQ-KOVSNXQUSA-N 3 2 387.612 3.766 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000463126124 870936937 /nfs/dbraw/zinc/93/69/37/870936937.db2.gz YHSNEVCHMBLGFQ-KOVSNXQUSA-N 3 2 387.612 3.766 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000463126124 870936957 /nfs/dbraw/zinc/93/69/57/870936957.db2.gz YHSNEVCHMBLGFQ-KOVSNXQUSA-N 3 2 387.612 3.766 20 0 GHADLP O=C1[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccccc1 ZINC000793920173 882486151 /nfs/dbraw/zinc/48/61/51/882486151.db2.gz DVXOOBSVSMMUDO-VTAUTDEMSA-N 2 2 389.543 3.967 20 0 GHADLP O=C1[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccccc1 ZINC000793920173 882486157 /nfs/dbraw/zinc/48/61/57/882486157.db2.gz DVXOOBSVSMMUDO-VTAUTDEMSA-N 2 2 389.543 3.967 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2nc(-c3ccncc3)cs2)[C@@H](C)C1 ZINC000539071256 871259102 /nfs/dbraw/zinc/25/91/02/871259102.db2.gz GTPMISZBURNSBN-SCTDSRPQSA-N 2 2 388.581 3.993 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2nc(-c3ccncc3)cs2)[C@@H](C)C1 ZINC000539071256 871259119 /nfs/dbraw/zinc/25/91/19/871259119.db2.gz GTPMISZBURNSBN-SCTDSRPQSA-N 2 2 388.581 3.993 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000312141524 871825532 /nfs/dbraw/zinc/82/55/32/871825532.db2.gz XBHBMLSZBSNUHA-GUDVDZBRSA-N 2 2 376.545 3.821 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1CC[NH+]([C@@H](C)c3ccccc3)CC1)C2 ZINC000526004534 871930529 /nfs/dbraw/zinc/93/05/29/871930529.db2.gz XXDYDSJYGVMHDF-HKUYNNGSSA-N 2 2 394.563 3.980 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c3ccccc3)CC1)CC2 ZINC000526004534 871930546 /nfs/dbraw/zinc/93/05/46/871930546.db2.gz XXDYDSJYGVMHDF-HKUYNNGSSA-N 2 2 394.563 3.980 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CCOCC3)c2)C[N@H+](Cc2ccccc2)C1 ZINC000552085180 871985261 /nfs/dbraw/zinc/98/52/61/871985261.db2.gz SUVQUXWPYCNVRE-NFBKMPQASA-N 2 2 379.548 3.523 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CCOCC3)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000552085180 871985272 /nfs/dbraw/zinc/98/52/72/871985272.db2.gz SUVQUXWPYCNVRE-NFBKMPQASA-N 2 2 379.548 3.523 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1nc2ccc(Cl)cc2n1C ZINC000540757435 872069808 /nfs/dbraw/zinc/06/98/08/872069808.db2.gz UAEFSTGHZRUNHB-RHSMWYFYSA-N 2 2 398.942 3.935 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644706 872314380 /nfs/dbraw/zinc/31/43/80/872314380.db2.gz XMXPYTSSPQGYKB-QAPCUYQASA-N 2 2 399.373 3.779 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644706 872314399 /nfs/dbraw/zinc/31/43/99/872314399.db2.gz XMXPYTSSPQGYKB-QAPCUYQASA-N 2 2 399.373 3.779 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644706 872314418 /nfs/dbraw/zinc/31/44/18/872314418.db2.gz XMXPYTSSPQGYKB-QAPCUYQASA-N 2 2 399.373 3.779 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644706 872314426 /nfs/dbraw/zinc/31/44/26/872314426.db2.gz XMXPYTSSPQGYKB-QAPCUYQASA-N 2 2 399.373 3.779 20 0 GHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000093693581 872349210 /nfs/dbraw/zinc/34/92/10/872349210.db2.gz VNILYYBZCUVDID-QGZVFWFLSA-N 2 2 376.495 3.931 20 0 GHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000093693581 872349231 /nfs/dbraw/zinc/34/92/31/872349231.db2.gz VNILYYBZCUVDID-QGZVFWFLSA-N 2 2 376.495 3.931 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000527002847 872403780 /nfs/dbraw/zinc/40/37/80/872403780.db2.gz BYWKAVUYKBQSCO-MISYRCLQSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000527002847 872403788 /nfs/dbraw/zinc/40/37/88/872403788.db2.gz BYWKAVUYKBQSCO-MISYRCLQSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000527002847 872403799 /nfs/dbraw/zinc/40/37/99/872403799.db2.gz BYWKAVUYKBQSCO-MISYRCLQSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000527002847 872403809 /nfs/dbraw/zinc/40/38/09/872403809.db2.gz BYWKAVUYKBQSCO-MISYRCLQSA-N 2 2 394.563 3.665 20 0 GHADLP Cc1cc2c(cc1C)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC(=O)N(C)C)CCS2 ZINC000552334091 872459883 /nfs/dbraw/zinc/45/98/83/872459883.db2.gz YPBNDYYSMMLEQY-AQDPXUSMSA-N 2 2 387.593 3.514 20 0 GHADLP Cc1cc2c(cc1C)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC(=O)N(C)C)CCS2 ZINC000552334091 872459904 /nfs/dbraw/zinc/45/99/04/872459904.db2.gz YPBNDYYSMMLEQY-AQDPXUSMSA-N 2 2 387.593 3.514 20 0 GHADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001170444966 882665574 /nfs/dbraw/zinc/66/55/74/882665574.db2.gz UVZGTLWGYDVKCT-HKUYNNGSSA-N 2 2 398.551 3.850 20 0 GHADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001170444966 882665582 /nfs/dbraw/zinc/66/55/82/882665582.db2.gz UVZGTLWGYDVKCT-HKUYNNGSSA-N 2 2 398.551 3.850 20 0 GHADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001170444966 882665588 /nfs/dbraw/zinc/66/55/88/882665588.db2.gz UVZGTLWGYDVKCT-HKUYNNGSSA-N 2 2 398.551 3.850 20 0 GHADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001170444966 882665598 /nfs/dbraw/zinc/66/55/98/882665598.db2.gz UVZGTLWGYDVKCT-HKUYNNGSSA-N 2 2 398.551 3.850 20 0 GHADLP Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)c1 ZINC000191932069 882672438 /nfs/dbraw/zinc/67/24/38/882672438.db2.gz UXJKKJTVIHRGQW-UHFFFAOYSA-N 2 2 388.515 3.837 20 0 GHADLP Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)c1 ZINC000191932069 882672442 /nfs/dbraw/zinc/67/24/42/882672442.db2.gz UXJKKJTVIHRGQW-UHFFFAOYSA-N 2 2 388.515 3.837 20 0 GHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2ncc3ccc(OCc4ccccc4)cc32)C1 ZINC000768500433 873340035 /nfs/dbraw/zinc/34/00/35/873340035.db2.gz ODTQMKASWHWQFE-JTHBVZDNSA-N 2 2 390.531 3.989 20 0 GHADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2ncc3ccc(OCc4ccccc4)cc32)C1 ZINC000768500433 873340049 /nfs/dbraw/zinc/34/00/49/873340049.db2.gz ODTQMKASWHWQFE-JTHBVZDNSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cn2ncc3ccc(OCc4ccccc4)cc32)C1 ZINC000768500433 873340062 /nfs/dbraw/zinc/34/00/62/873340062.db2.gz ODTQMKASWHWQFE-JTHBVZDNSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cn2ncc3ccc(OCc4ccccc4)cc32)C1 ZINC000768500433 873340076 /nfs/dbraw/zinc/34/00/76/873340076.db2.gz ODTQMKASWHWQFE-JTHBVZDNSA-N 2 2 390.531 3.989 20 0 GHADLP CCC(F)(F)C(C)(C)CNc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000527679887 873486326 /nfs/dbraw/zinc/48/63/26/873486326.db2.gz SUFWNGWVUPZTLM-UHFFFAOYSA-N 2 2 380.483 3.921 20 0 GHADLP COc1cccc(OCC[N@H+]2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001196960045 873498785 /nfs/dbraw/zinc/49/87/85/873498785.db2.gz CSQHOOFISTVRHL-PSWAGMNNSA-N 2 2 380.532 3.918 20 0 GHADLP COc1cccc(OCC[N@@H+]2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001196960045 873498789 /nfs/dbraw/zinc/49/87/89/873498789.db2.gz CSQHOOFISTVRHL-PSWAGMNNSA-N 2 2 380.532 3.918 20 0 GHADLP COc1cccc(OCC[NH+]2C[C@@]3(C)C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001196960045 873498793 /nfs/dbraw/zinc/49/87/93/873498793.db2.gz CSQHOOFISTVRHL-PSWAGMNNSA-N 2 2 380.532 3.918 20 0 GHADLP COc1cccc(OCC[NH+]2C[C@@]3(C)C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001196960045 873498796 /nfs/dbraw/zinc/49/87/96/873498796.db2.gz CSQHOOFISTVRHL-PSWAGMNNSA-N 2 2 380.532 3.918 20 0 GHADLP Cc1cc(Br)c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1Br ZINC000527711062 873517386 /nfs/dbraw/zinc/51/73/86/873517386.db2.gz MRTIIZPDUBBEIN-NSHDSACASA-N 2 2 399.130 3.890 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(C)cc(Br)cn23)C[C@H]1C ZINC000541535007 873822135 /nfs/dbraw/zinc/82/21/35/873822135.db2.gz KIBJEZGTMMDVCC-GDBMZVCRSA-N 2 2 379.346 3.710 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(C)cc(Br)cn23)C[C@H]1C ZINC000541535007 873822144 /nfs/dbraw/zinc/82/21/44/873822144.db2.gz KIBJEZGTMMDVCC-GDBMZVCRSA-N 2 2 379.346 3.710 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc3c(C)cc(Br)cn23)C[C@H]1C ZINC000541535007 873822150 /nfs/dbraw/zinc/82/21/50/873822150.db2.gz KIBJEZGTMMDVCC-GDBMZVCRSA-N 2 2 379.346 3.710 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc3c(C)cc(Br)cn23)C[C@H]1C ZINC000541535007 873822157 /nfs/dbraw/zinc/82/21/57/873822157.db2.gz KIBJEZGTMMDVCC-GDBMZVCRSA-N 2 2 379.346 3.710 20 0 GHADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000528148810 874088132 /nfs/dbraw/zinc/08/81/32/874088132.db2.gz PNCZXKFZTAJRJC-RXVVDRJESA-N 2 2 399.583 3.515 20 0 GHADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000528148810 874088147 /nfs/dbraw/zinc/08/81/47/874088147.db2.gz PNCZXKFZTAJRJC-RXVVDRJESA-N 2 2 399.583 3.515 20 0 GHADLP CC(C)C[C@@H](NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1)c1ccccn1 ZINC001198036586 874192328 /nfs/dbraw/zinc/19/23/28/874192328.db2.gz MBSRMZWKZQTASN-HSZRJFAPSA-N 2 2 396.579 3.982 20 0 GHADLP CC(C)C[C@@H](NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1)c1ccccn1 ZINC001198036586 874192332 /nfs/dbraw/zinc/19/23/32/874192332.db2.gz MBSRMZWKZQTASN-HSZRJFAPSA-N 2 2 396.579 3.982 20 0 GHADLP CO[C@H](C)c1nc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000177510529 882810225 /nfs/dbraw/zinc/81/02/25/882810225.db2.gz NNZPPYVITBRPMC-YESZJQIVSA-N 2 2 381.586 3.562 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770002897 874395161 /nfs/dbraw/zinc/39/51/61/874395161.db2.gz BTIMDSDOCOIJED-MOPGFXCFSA-N 2 2 395.551 3.617 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770002897 874395178 /nfs/dbraw/zinc/39/51/78/874395178.db2.gz BTIMDSDOCOIJED-MOPGFXCFSA-N 2 2 395.551 3.617 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000192172303 882828631 /nfs/dbraw/zinc/82/86/31/882828631.db2.gz UGNAMUZQWKCKCM-LJQANCHMSA-N 2 2 386.293 3.766 20 0 GHADLP CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806692 874562003 /nfs/dbraw/zinc/56/20/03/874562003.db2.gz PPARUGCSDYSHAE-HXUWFJFHSA-N 2 2 394.563 3.840 20 0 GHADLP CC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806692 874562006 /nfs/dbraw/zinc/56/20/06/874562006.db2.gz PPARUGCSDYSHAE-HXUWFJFHSA-N 2 2 394.563 3.840 20 0 GHADLP COc1cccc2c(CNc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)cccc12 ZINC000449190465 874564614 /nfs/dbraw/zinc/56/46/14/874564614.db2.gz RCTGRKZTVTUVGG-UHFFFAOYSA-N 2 2 390.531 3.808 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ncccc2Cl)CC1 ZINC000528438075 874574795 /nfs/dbraw/zinc/57/47/95/874574795.db2.gz QUOVLBBEHXFOKF-OAHLLOKOSA-N 2 2 376.907 3.867 20 0 GHADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000464866738 874645164 /nfs/dbraw/zinc/64/51/64/874645164.db2.gz GGEVRZYRJHDKCS-IBGZPJMESA-N 2 2 397.485 3.833 20 0 GHADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000464866738 874645172 /nfs/dbraw/zinc/64/51/72/874645172.db2.gz GGEVRZYRJHDKCS-IBGZPJMESA-N 2 2 397.485 3.833 20 0 GHADLP C[NH+](C)Cc1nc(CSCCNc2ccc([C@@H]3CCC[NH2+]3)cc2)cs1 ZINC001168108101 874684065 /nfs/dbraw/zinc/68/40/65/874684065.db2.gz GEQXGKRVZHUIQE-SFHVURJKSA-N 2 2 376.595 3.975 20 0 GHADLP C[C@H](CC(=O)NCCc1ccccc1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449349754 874744042 /nfs/dbraw/zinc/74/40/42/874744042.db2.gz HAYMFEZGFUVWFZ-QGZVFWFLSA-N 2 2 396.922 3.753 20 0 GHADLP COc1ccc([C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C(C)C)cc1 ZINC001199045867 874774225 /nfs/dbraw/zinc/77/42/25/874774225.db2.gz WROSRPZZYWFJEI-XMMPIXPASA-N 2 2 398.547 3.893 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cn2c(=O)sc3c2CC[C@@H](C)C3)CC1)CC1CC1 ZINC000770686715 874822065 /nfs/dbraw/zinc/82/20/65/874822065.db2.gz PVVYUJYDXQUPQR-QGZVFWFLSA-N 2 2 391.625 3.826 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cn2c(=O)sc3c2CC[C@@H](C)C3)CC1)CC1CC1 ZINC000770686715 874822081 /nfs/dbraw/zinc/82/20/81/874822081.db2.gz PVVYUJYDXQUPQR-QGZVFWFLSA-N 2 2 391.625 3.826 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(CNC2CC[NH+](Cc3ccccn3)CC2)CCC1 ZINC000449479811 874911808 /nfs/dbraw/zinc/91/18/08/874911808.db2.gz WGUGEEOSWWRLQL-UHFFFAOYSA-N 2 2 378.564 3.690 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(CNC2CC[NH+](Cc3ccccn3)CC2)CCC1 ZINC000449479811 874911821 /nfs/dbraw/zinc/91/18/21/874911821.db2.gz WGUGEEOSWWRLQL-UHFFFAOYSA-N 2 2 378.564 3.690 20 0 GHADLP COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000449466156 874923741 /nfs/dbraw/zinc/92/37/41/874923741.db2.gz DYXVFFZKVOESQS-MRXNPFEDSA-N 2 2 381.476 3.619 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)C3CCSCC3)CC2)cc1 ZINC000449525201 875002666 /nfs/dbraw/zinc/00/26/66/875002666.db2.gz QSELWXVEFVZIDC-MRXNPFEDSA-N 2 2 375.582 3.731 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449554821 875039630 /nfs/dbraw/zinc/03/96/30/875039630.db2.gz DPEQZWMOVBQSQR-AYHJJNSGSA-N 2 2 397.357 3.579 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449554821 875039634 /nfs/dbraw/zinc/03/96/34/875039634.db2.gz DPEQZWMOVBQSQR-AYHJJNSGSA-N 2 2 397.357 3.579 20 0 GHADLP C[NH+](C)CCOc1cc(C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)ccn1 ZINC000542494172 882931100 /nfs/dbraw/zinc/93/11/00/882931100.db2.gz SDCMFRYTYNTZPY-JOCHJYFZSA-N 2 2 398.457 3.574 20 0 GHADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1sc(Sc2ccccc2)nc1Cl ZINC000106484480 876071274 /nfs/dbraw/zinc/07/12/74/876071274.db2.gz QJMZDIHAOWWNAT-CQSZACIVSA-N 2 2 397.013 3.673 20 0 GHADLP Fc1ccc([C@H]2CC[C@H]([NH2+]Cc3ccc(OCC[NH+]4CCOCC4)cc3)C2)cc1 ZINC001202258899 876074157 /nfs/dbraw/zinc/07/41/57/876074157.db2.gz KFYMDMAQIGHLKP-GMAHTHKFSA-N 2 2 398.522 3.963 20 0 GHADLP O=C(CC[NH+]1CCCCC1)Nc1cccc(NCc2cccc3[nH+]ccn32)c1 ZINC000537659653 883008199 /nfs/dbraw/zinc/00/81/99/883008199.db2.gz VDSXWDHIVPDSIF-UHFFFAOYSA-N 2 2 377.492 3.761 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)CC[C@@H]21 ZINC000529535900 876303731 /nfs/dbraw/zinc/30/37/31/876303731.db2.gz IMNYYJVODKMKNC-OCCSQVGLSA-N 2 2 395.370 3.817 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)CC[C@@H]21 ZINC000529535900 876303736 /nfs/dbraw/zinc/30/37/36/876303736.db2.gz IMNYYJVODKMKNC-OCCSQVGLSA-N 2 2 395.370 3.817 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(Br)s3)CC[C@@H]21 ZINC000529535900 876303745 /nfs/dbraw/zinc/30/37/45/876303745.db2.gz IMNYYJVODKMKNC-OCCSQVGLSA-N 2 2 395.370 3.817 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(Br)s3)CC[C@@H]21 ZINC000529535900 876303757 /nfs/dbraw/zinc/30/37/57/876303757.db2.gz IMNYYJVODKMKNC-OCCSQVGLSA-N 2 2 395.370 3.817 20 0 GHADLP CSc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000173359057 876338803 /nfs/dbraw/zinc/33/88/03/876338803.db2.gz MOCJWRGUJFKNAN-SFHVURJKSA-N 2 2 386.561 3.970 20 0 GHADLP COC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cccc(OC)c1 ZINC000850362886 876850280 /nfs/dbraw/zinc/85/02/80/876850280.db2.gz TVNACFCYEQYRFM-HSZRJFAPSA-N 2 2 383.536 3.707 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc2c(c1)CCCO2 ZINC000850435649 876919596 /nfs/dbraw/zinc/91/95/96/876919596.db2.gz CBTVNOQSAIWZFF-TZYHBYERSA-N 2 2 380.532 3.545 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc2c(c1)CCCO2 ZINC000850435649 876919610 /nfs/dbraw/zinc/91/96/10/876919610.db2.gz CBTVNOQSAIWZFF-TZYHBYERSA-N 2 2 380.532 3.545 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000786777942 876931272 /nfs/dbraw/zinc/93/12/72/876931272.db2.gz BKHXFJNVNSAGRW-SJORKVTESA-N 2 2 375.476 3.814 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000786837880 876957388 /nfs/dbraw/zinc/95/73/88/876957388.db2.gz MDHXFAXWBXNMCF-GCJKJVERSA-N 2 2 378.520 3.531 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000786837880 876957398 /nfs/dbraw/zinc/95/73/98/876957398.db2.gz MDHXFAXWBXNMCF-GCJKJVERSA-N 2 2 378.520 3.531 20 0 GHADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2nccc(OC)c2F)ccc1OC ZINC000850536080 877005998 /nfs/dbraw/zinc/00/59/98/877005998.db2.gz BPBGBIPGVWRZLJ-HNNXBMFYSA-N 2 2 375.488 3.931 20 0 GHADLP CCN(C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000134892672 883093828 /nfs/dbraw/zinc/09/38/28/883093828.db2.gz PETNEKPQTFHVKP-LRXVAGHRSA-N 2 2 387.543 3.684 20 0 GHADLP CCN(C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000134892672 883093842 /nfs/dbraw/zinc/09/38/42/883093842.db2.gz PETNEKPQTFHVKP-LRXVAGHRSA-N 2 2 387.543 3.684 20 0 GHADLP CCN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000134892672 883093860 /nfs/dbraw/zinc/09/38/60/883093860.db2.gz PETNEKPQTFHVKP-LRXVAGHRSA-N 2 2 387.543 3.684 20 0 GHADLP CCN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000134892672 883093871 /nfs/dbraw/zinc/09/38/71/883093871.db2.gz PETNEKPQTFHVKP-LRXVAGHRSA-N 2 2 387.543 3.684 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000136425853 877205443 /nfs/dbraw/zinc/20/54/43/877205443.db2.gz JUBCUKLLQOXPNE-UZLBHIALSA-N 2 2 388.353 3.887 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000136425853 877205456 /nfs/dbraw/zinc/20/54/56/877205456.db2.gz JUBCUKLLQOXPNE-UZLBHIALSA-N 2 2 388.353 3.887 20 0 GHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc2c(c1)OCCO2 ZINC000373519571 877314475 /nfs/dbraw/zinc/31/44/75/877314475.db2.gz JIYZYQREGCTCFW-IGEOTXOUSA-N 2 2 384.442 3.914 20 0 GHADLP Clc1sc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000530249094 877329962 /nfs/dbraw/zinc/32/99/62/877329962.db2.gz UEFAECYOTGJIQL-LBPRGKRZSA-N 2 2 393.778 3.755 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000787311384 877337826 /nfs/dbraw/zinc/33/78/26/877337826.db2.gz WDNLROLVKKEYDW-XPGWFJOJSA-N 2 2 393.453 3.634 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000787311384 877337838 /nfs/dbraw/zinc/33/78/38/877337838.db2.gz WDNLROLVKKEYDW-XPGWFJOJSA-N 2 2 393.453 3.634 20 0 GHADLP Cc1noc(C)c1C[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000237613486 877687941 /nfs/dbraw/zinc/68/79/41/877687941.db2.gz YTYDYSGSRDXOCM-UHFFFAOYSA-N 2 2 396.457 3.612 20 0 GHADLP Cc1nc(C(C)C)oc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000551748049 877771161 /nfs/dbraw/zinc/77/11/61/877771161.db2.gz RHYXUFBOMJXXND-MOPGFXCFSA-N 2 2 390.572 3.516 20 0 GHADLP Cc1nc(C(C)C)oc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000551748049 877771173 /nfs/dbraw/zinc/77/11/73/877771173.db2.gz RHYXUFBOMJXXND-MOPGFXCFSA-N 2 2 390.572 3.516 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788251099 877957491 /nfs/dbraw/zinc/95/74/91/877957491.db2.gz UOAJDURDJHIEIN-MOPGFXCFSA-N 2 2 397.604 3.691 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@@H]1c1ccccc1 ZINC000530519761 877972841 /nfs/dbraw/zinc/97/28/41/877972841.db2.gz BFIGYCRUJUEVDS-OALUTQOASA-N 2 2 399.564 3.696 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@@H]1c1ccccc1 ZINC000530519761 877972859 /nfs/dbraw/zinc/97/28/59/877972859.db2.gz BFIGYCRUJUEVDS-OALUTQOASA-N 2 2 399.564 3.696 20 0 GHADLP CC(C)(C)OC(=O)N1CCC([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)CC1 ZINC000852300896 878211335 /nfs/dbraw/zinc/21/13/35/878211335.db2.gz MHURVYLQPOCDMQ-LJQANCHMSA-N 2 2 376.545 3.632 20 0 GHADLP CC(C)(C)OC(=O)N1CCC([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)CC1 ZINC000852300896 878211353 /nfs/dbraw/zinc/21/13/53/878211353.db2.gz MHURVYLQPOCDMQ-LJQANCHMSA-N 2 2 376.545 3.632 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000245754444 878546942 /nfs/dbraw/zinc/54/69/42/878546942.db2.gz YESYRJYHCYAXLS-UHOSZYNNSA-N 2 2 377.598 3.647 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000245754444 878546946 /nfs/dbraw/zinc/54/69/46/878546946.db2.gz YESYRJYHCYAXLS-UHOSZYNNSA-N 2 2 377.598 3.647 20 0 GHADLP O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000888481796 878646509 /nfs/dbraw/zinc/64/65/09/878646509.db2.gz KZACKIHNDOBSMJ-IYARVYRRSA-N 2 2 385.556 3.511 20 0 GHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177404585 878697043 /nfs/dbraw/zinc/69/70/43/878697043.db2.gz BWLLUCRXWRXEBV-UHFFFAOYSA-N 2 2 395.551 3.528 20 0 GHADLP CC(C)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000538060827 878783160 /nfs/dbraw/zinc/78/31/60/878783160.db2.gz XBTCNACLBWKRBJ-JOCHJYFZSA-N 2 2 395.503 3.853 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000178189480 879035811 /nfs/dbraw/zinc/03/58/11/879035811.db2.gz MDIXEQVBCDCLAQ-WTNAPCKOSA-N 2 2 386.971 3.838 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000178189480 879035824 /nfs/dbraw/zinc/03/58/24/879035824.db2.gz MDIXEQVBCDCLAQ-WTNAPCKOSA-N 2 2 386.971 3.838 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(Cl)cc1Cl ZINC000518979753 879485646 /nfs/dbraw/zinc/48/56/46/879485646.db2.gz RNBGVXKWPFXWLX-CKFHNAJUSA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(Cl)cc1Cl ZINC000518979753 879485650 /nfs/dbraw/zinc/48/56/50/879485650.db2.gz RNBGVXKWPFXWLX-CKFHNAJUSA-N 2 2 384.351 3.635 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@@H](C)C1 ZINC000247129678 879926241 /nfs/dbraw/zinc/92/62/41/879926241.db2.gz ARLKAQDNAWXVSY-YDHSSHFGSA-N 3 2 384.568 3.968 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@@H](C)C1 ZINC000247129678 879926254 /nfs/dbraw/zinc/92/62/54/879926254.db2.gz ARLKAQDNAWXVSY-YDHSSHFGSA-N 3 2 384.568 3.968 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000183629056 880130042 /nfs/dbraw/zinc/13/00/42/880130042.db2.gz OLMQZNHUHITRPY-QFIPXVFZSA-N 2 2 386.584 3.585 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000183629056 880130050 /nfs/dbraw/zinc/13/00/50/880130050.db2.gz OLMQZNHUHITRPY-QFIPXVFZSA-N 2 2 386.584 3.585 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1C ZINC000113608144 880712935 /nfs/dbraw/zinc/71/29/35/880712935.db2.gz SDGOWJRONPJKEM-QGZVFWFLSA-N 2 2 384.524 3.636 20 0 GHADLP C[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000453290386 880731992 /nfs/dbraw/zinc/73/19/92/880731992.db2.gz AWCLZEQXDZDIJL-QGZVFWFLSA-N 2 2 379.504 3.723 20 0 GHADLP C[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000453290386 880731999 /nfs/dbraw/zinc/73/19/99/880731999.db2.gz AWCLZEQXDZDIJL-QGZVFWFLSA-N 2 2 379.504 3.723 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000453304254 880768000 /nfs/dbraw/zinc/76/80/00/880768000.db2.gz ONPZKOFGNWKLQS-XUZZJYLKSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000453304254 880768006 /nfs/dbraw/zinc/76/80/06/880768006.db2.gz ONPZKOFGNWKLQS-XUZZJYLKSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccn2)CC[C@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000453304254 880768015 /nfs/dbraw/zinc/76/80/15/880768015.db2.gz ONPZKOFGNWKLQS-XUZZJYLKSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccn2)CC[C@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000453304254 880768020 /nfs/dbraw/zinc/76/80/20/880768020.db2.gz ONPZKOFGNWKLQS-XUZZJYLKSA-N 2 2 392.591 3.936 20 0 GHADLP COC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000453321651 880792505 /nfs/dbraw/zinc/79/25/05/880792505.db2.gz ONPDSDPKNCXQPW-ZWCUEREDSA-N 2 2 387.955 3.965 20 0 GHADLP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000453321651 880792516 /nfs/dbraw/zinc/79/25/16/880792516.db2.gz ONPDSDPKNCXQPW-ZWCUEREDSA-N 2 2 387.955 3.965 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000531939891 880795080 /nfs/dbraw/zinc/79/50/80/880795080.db2.gz PBIBQWZMKBRWCG-CABCVRRESA-N 2 2 387.446 3.766 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Br)ccc3OC(F)F)CC[C@H]21 ZINC000531988582 880842104 /nfs/dbraw/zinc/84/21/04/880842104.db2.gz CZTQRMQVNWBNIO-SWLSCSKDSA-N 2 2 389.284 3.967 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Br)ccc3OC(F)F)CC[C@H]21 ZINC000531988582 880842123 /nfs/dbraw/zinc/84/21/23/880842123.db2.gz CZTQRMQVNWBNIO-SWLSCSKDSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Br)ccc3OC(F)F)CC[C@H]21 ZINC000531988582 880842142 /nfs/dbraw/zinc/84/21/42/880842142.db2.gz CZTQRMQVNWBNIO-SWLSCSKDSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Br)ccc3OC(F)F)CC[C@H]21 ZINC000531988582 880842151 /nfs/dbraw/zinc/84/21/51/880842151.db2.gz CZTQRMQVNWBNIO-SWLSCSKDSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)CC1 ZINC000429527937 880929336 /nfs/dbraw/zinc/92/93/36/880929336.db2.gz KXNIJAYFCTXUNP-XMMPIXPASA-N 2 2 393.575 3.674 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)CC1 ZINC000429527937 880929342 /nfs/dbraw/zinc/92/93/42/880929342.db2.gz KXNIJAYFCTXUNP-XMMPIXPASA-N 2 2 393.575 3.674 20 0 GHADLP COCCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)s1 ZINC000181594391 883165522 /nfs/dbraw/zinc/16/55/22/883165522.db2.gz UCKHFUURVURQSZ-DOTOQJQBSA-N 2 2 388.581 3.912 20 0 GHADLP CC(C)OC(=O)c1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000135129970 883221583 /nfs/dbraw/zinc/22/15/83/883221583.db2.gz AAFJUXLHUUHZPB-UHFFFAOYSA-N 2 2 395.547 3.786 20 0 GHADLP CC(C)OC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000135129970 883221604 /nfs/dbraw/zinc/22/16/04/883221604.db2.gz AAFJUXLHUUHZPB-UHFFFAOYSA-N 2 2 395.547 3.786 20 0 GHADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)c(Cl)c1 ZINC000476829643 883234312 /nfs/dbraw/zinc/23/43/12/883234312.db2.gz ZVNJZWPTJSBTJH-QGZVFWFLSA-N 2 2 395.975 3.763 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)c2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000551085775 883259355 /nfs/dbraw/zinc/25/93/55/883259355.db2.gz HNPQVXAYHKPSCP-ZCNNSNEGSA-N 2 2 389.337 3.908 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@H](CO)c2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000551085775 883259372 /nfs/dbraw/zinc/25/93/72/883259372.db2.gz HNPQVXAYHKPSCP-ZCNNSNEGSA-N 2 2 389.337 3.908 20 0 GHADLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1OCC ZINC000193549884 883341621 /nfs/dbraw/zinc/34/16/21/883341621.db2.gz WJEZNFJLLFNABR-XMSQKQJNSA-N 2 2 398.547 3.554 20 0 GHADLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1OCC ZINC000193549884 883341638 /nfs/dbraw/zinc/34/16/38/883341638.db2.gz WJEZNFJLLFNABR-XMSQKQJNSA-N 2 2 398.547 3.554 20 0 GHADLP CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000643476443 912718857 /nfs/dbraw/zinc/71/88/57/912718857.db2.gz BVXOLLAIJKMDIN-IBGZPJMESA-N 2 2 381.524 3.881 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000859157075 883626199 /nfs/dbraw/zinc/62/61/99/883626199.db2.gz YDYNVDFSVYYYCJ-CIAFKFPVSA-N 4 2 396.740 3.524 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000859157075 883626202 /nfs/dbraw/zinc/62/62/02/883626202.db2.gz YDYNVDFSVYYYCJ-CIAFKFPVSA-N 4 2 396.740 3.524 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[NH+]1C ZINC000859157075 883626209 /nfs/dbraw/zinc/62/62/09/883626209.db2.gz YDYNVDFSVYYYCJ-CIAFKFPVSA-N 4 2 396.740 3.524 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[NH+]1C ZINC000859157075 883626214 /nfs/dbraw/zinc/62/62/14/883626214.db2.gz YDYNVDFSVYYYCJ-CIAFKFPVSA-N 4 2 396.740 3.524 20 0 GHADLP OCC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCCc2ccccc21 ZINC000551387833 883782603 /nfs/dbraw/zinc/78/26/03/883782603.db2.gz VZGZMYQXVVFDSZ-NOZRDPDXSA-N 2 2 394.559 3.649 20 0 GHADLP OCC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCCc2ccccc21 ZINC000551387833 883782617 /nfs/dbraw/zinc/78/26/17/883782617.db2.gz VZGZMYQXVVFDSZ-NOZRDPDXSA-N 2 2 394.559 3.649 20 0 GHADLP OCC[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCCc2ccccc21 ZINC000551387833 883782623 /nfs/dbraw/zinc/78/26/23/883782623.db2.gz VZGZMYQXVVFDSZ-NOZRDPDXSA-N 2 2 394.559 3.649 20 0 GHADLP OCC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCCc2ccccc21 ZINC000551387833 883782632 /nfs/dbraw/zinc/78/26/32/883782632.db2.gz VZGZMYQXVVFDSZ-NOZRDPDXSA-N 2 2 394.559 3.649 20 0 GHADLP OC[C@@H]1COc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000897948843 884525148 /nfs/dbraw/zinc/52/51/48/884525148.db2.gz RITJOVXPMUTMCW-WDOIYZOTSA-N 2 2 378.516 3.686 20 0 GHADLP OC[C@@H]1COc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000897948843 884525155 /nfs/dbraw/zinc/52/51/55/884525155.db2.gz RITJOVXPMUTMCW-WDOIYZOTSA-N 2 2 378.516 3.686 20 0 GHADLP C[NH+](C)C1CCC([NH2+]C[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001168299907 885230770 /nfs/dbraw/zinc/23/07/70/885230770.db2.gz PYWXCAGJMCNHIS-DDJHWDJXSA-N 3 2 395.591 3.512 20 0 GHADLP COc1ccc([C@H](Cc2ccccc2)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655767251 885425515 /nfs/dbraw/zinc/42/55/15/885425515.db2.gz ANWJQALKYSXTGM-VWNXMTODSA-N 2 2 380.532 3.822 20 0 GHADLP CC(C)[NH+](CCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C(C)C ZINC000131114654 885547166 /nfs/dbraw/zinc/54/71/66/885547166.db2.gz HWYUYWMSFZVREE-SFTDATJTSA-N 2 2 383.540 3.530 20 0 GHADLP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000655769008 885572029 /nfs/dbraw/zinc/57/20/29/885572029.db2.gz AZWCYDRYVKRKJG-ISKFKSNPSA-N 3 2 385.596 3.522 20 0 GHADLP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000655769008 885572044 /nfs/dbraw/zinc/57/20/44/885572044.db2.gz AZWCYDRYVKRKJG-ISKFKSNPSA-N 3 2 385.596 3.522 20 0 GHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cnn(-c2ccccc2)c1 ZINC000777201063 885657950 /nfs/dbraw/zinc/65/79/50/885657950.db2.gz RXEGAQJUGZURMK-GOSISDBHSA-N 2 2 390.535 3.971 20 0 GHADLP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000495432761 885779070 /nfs/dbraw/zinc/77/90/70/885779070.db2.gz LBJBRIICBYISDO-COPCDDAFSA-N 2 2 387.568 3.508 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2N2CCOCC2)C[C@H]1c1ccccc1 ZINC000550661778 885785983 /nfs/dbraw/zinc/78/59/83/885785983.db2.gz IBVGWLYGFOQWOM-GMAHTHKFSA-N 2 2 383.511 3.587 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2N2CCOCC2)C[C@H]1c1ccccc1 ZINC000550661778 885786002 /nfs/dbraw/zinc/78/60/02/885786002.db2.gz IBVGWLYGFOQWOM-GMAHTHKFSA-N 2 2 383.511 3.587 20 0 GHADLP COCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655772837 885899439 /nfs/dbraw/zinc/89/94/39/885899439.db2.gz SSHWIRRJCIECBD-RBUKOAKNSA-N 2 2 386.458 3.626 20 0 GHADLP CC(C)(C)[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000108850379 885941890 /nfs/dbraw/zinc/94/18/90/885941890.db2.gz PHSDTLIHEUIHIF-QFIPXVFZSA-N 2 2 398.526 3.636 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccnc(N4CCCC4)c3)CC2)cc1 ZINC000131425296 886058680 /nfs/dbraw/zinc/05/86/80/886058680.db2.gz CDMZRYZEPBWCBK-UHFFFAOYSA-N 2 2 382.527 3.618 20 0 GHADLP C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000762480101 886271265 /nfs/dbraw/zinc/27/12/65/886271265.db2.gz JVUARCRFQCWWOL-YOEHRIQHSA-N 2 2 376.526 3.669 20 0 GHADLP Cc1cc(OC[C@H](O)C[NH+]2CCC([NH2+]C(C)C)CC2)c(C(C)C)cc1Cl ZINC000118984880 886314777 /nfs/dbraw/zinc/31/47/77/886314777.db2.gz QNLSSFDQZGXRGW-GOSISDBHSA-N 2 2 382.976 3.974 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1C ZINC000195138364 886448277 /nfs/dbraw/zinc/44/82/77/886448277.db2.gz OEURXCFJDJNMLU-OAQYLSRUSA-N 2 2 396.535 3.686 20 0 GHADLP CC1CC[NH+](CCCNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000131791166 886551983 /nfs/dbraw/zinc/55/19/83/886551983.db2.gz HQRRDAAISIUHOE-YADHBBJMSA-N 2 2 395.551 3.533 20 0 GHADLP Cc1c(Cl)c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc2ccccc12 ZINC000119585494 886770858 /nfs/dbraw/zinc/77/08/58/886770858.db2.gz CFEMEYFTCMZHLO-DFNIBXOVSA-N 2 2 398.982 3.939 20 0 GHADLP Cc1c(Cl)c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc2ccccc12 ZINC000119585494 886770871 /nfs/dbraw/zinc/77/08/71/886770871.db2.gz CFEMEYFTCMZHLO-DFNIBXOVSA-N 2 2 398.982 3.939 20 0 GHADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C[C@@H](C)O1 ZINC000532645910 886858888 /nfs/dbraw/zinc/85/88/88/886858888.db2.gz ORUAURFUHISPQA-WOJBJXKFSA-N 3 2 382.552 3.584 20 0 GHADLP COCOc1ccc(OC)cc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119326023 886919618 /nfs/dbraw/zinc/91/96/18/886919618.db2.gz PQGAHUJUJRUCRF-UHFFFAOYSA-N 2 2 384.520 3.774 20 0 GHADLP COCOc1ccc(OC)cc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119326023 886919626 /nfs/dbraw/zinc/91/96/26/886919626.db2.gz PQGAHUJUJRUCRF-UHFFFAOYSA-N 2 2 384.520 3.774 20 0 GHADLP C[C@H]1C[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000132365359 887649418 /nfs/dbraw/zinc/64/94/18/887649418.db2.gz QRTJJDBHRWATDD-UGKGYDQZSA-N 2 2 388.515 3.997 20 0 GHADLP C[C@H]1C[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000132365359 887649429 /nfs/dbraw/zinc/64/94/29/887649429.db2.gz QRTJJDBHRWATDD-UGKGYDQZSA-N 2 2 388.515 3.997 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000794688451 887774945 /nfs/dbraw/zinc/77/49/45/887774945.db2.gz ILIRZPOIAFVHAM-GVAUOCQISA-N 2 2 390.527 3.544 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000794688451 887774957 /nfs/dbraw/zinc/77/49/57/887774957.db2.gz ILIRZPOIAFVHAM-GVAUOCQISA-N 2 2 390.527 3.544 20 0 GHADLP CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000054397184 887964861 /nfs/dbraw/zinc/96/48/61/887964861.db2.gz ZJHPUUAKECBBFO-QHCPKHFHSA-N 2 2 395.547 3.834 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)[NH+](C)C)cc1 ZINC000194054117 887989961 /nfs/dbraw/zinc/98/99/61/887989961.db2.gz STNAXDSTANOPLE-JOCHJYFZSA-N 2 2 394.563 3.588 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)CC(F)F ZINC000865430917 888345192 /nfs/dbraw/zinc/34/51/92/888345192.db2.gz VEBQWEWEBMWSNA-CQSZACIVSA-N 2 2 398.429 3.650 20 0 GHADLP CCC1CCC(N(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C2CC2)CC1 ZINC000138079228 888385728 /nfs/dbraw/zinc/38/57/28/888385728.db2.gz GMPYXOFQUGXGMP-UHFFFAOYSA-N 2 2 390.616 3.688 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000865507921 888397104 /nfs/dbraw/zinc/39/71/04/888397104.db2.gz DHBWBNMWMSNRMW-LJQANCHMSA-N 2 2 392.547 3.633 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000648934430 888419173 /nfs/dbraw/zinc/41/91/73/888419173.db2.gz YLXZALFHBPDILC-ZDUSSCGKSA-N 2 2 375.542 3.648 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000648934430 888419177 /nfs/dbraw/zinc/41/91/77/888419177.db2.gz YLXZALFHBPDILC-ZDUSSCGKSA-N 2 2 375.542 3.648 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000533067486 889622852 /nfs/dbraw/zinc/62/28/52/889622852.db2.gz YAZTVGCSZPXIPT-GHTZIAJQSA-N 2 2 390.487 3.978 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000533067486 889622856 /nfs/dbraw/zinc/62/28/56/889622856.db2.gz YAZTVGCSZPXIPT-GHTZIAJQSA-N 2 2 390.487 3.978 20 0 GHADLP COc1cc(N[C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc(OC)c1 ZINC000533077879 889699286 /nfs/dbraw/zinc/69/92/86/889699286.db2.gz ISTLUGINKMTULF-LJQANCHMSA-N 2 2 392.503 3.966 20 0 GHADLP COc1cc(N[C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc(OC)c1 ZINC000533077879 889699295 /nfs/dbraw/zinc/69/92/95/889699295.db2.gz ISTLUGINKMTULF-LJQANCHMSA-N 2 2 392.503 3.966 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000124652601 889711396 /nfs/dbraw/zinc/71/13/96/889711396.db2.gz UWYVHQSFGLPGCW-NHCUHLMSSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000124652601 889711403 /nfs/dbraw/zinc/71/14/03/889711403.db2.gz UWYVHQSFGLPGCW-NHCUHLMSSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000124662848 889714252 /nfs/dbraw/zinc/71/42/52/889714252.db2.gz XRMLXZNDXPUFGK-IBGZPJMESA-N 2 2 383.584 3.809 20 0 GHADLP Cc1ccc2cc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)[nH]c2c1 ZINC000124729308 889739280 /nfs/dbraw/zinc/73/92/80/889739280.db2.gz VEKXNDWUVCQIAB-PKTZIBPZSA-N 2 2 396.579 3.886 20 0 GHADLP Cc1ccc2cc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)[nH]c2c1 ZINC000124729308 889739287 /nfs/dbraw/zinc/73/92/87/889739287.db2.gz VEKXNDWUVCQIAB-PKTZIBPZSA-N 2 2 396.579 3.886 20 0 GHADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000666755693 889844313 /nfs/dbraw/zinc/84/43/13/889844313.db2.gz CDAUZQPHOOZFNB-BWAGFHJFSA-N 2 2 395.551 3.531 20 0 GHADLP Cc1ccc(-n2ccc(NC(=O)c3ccc([C@@H](C)[NH3+])cc3)c3ccnc2-3)[nH+]c1N ZINC001170667004 890445495 /nfs/dbraw/zinc/44/54/95/890445495.db2.gz WGIDUEYIFBNRMX-CQSZACIVSA-N 2 2 386.459 3.535 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1 ZINC000533543327 890807180 /nfs/dbraw/zinc/80/71/80/890807180.db2.gz USKVDOZREIOWKS-FQEVSTJZSA-N 2 2 397.567 3.850 20 0 GHADLP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000246265301 890887486 /nfs/dbraw/zinc/88/74/86/890887486.db2.gz ADNXZZQBEPRVRL-PGRDOPGGSA-N 2 2 383.536 3.532 20 0 GHADLP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000246265301 890887500 /nfs/dbraw/zinc/88/75/00/890887500.db2.gz ADNXZZQBEPRVRL-PGRDOPGGSA-N 2 2 383.536 3.532 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2cccc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000812829111 891012834 /nfs/dbraw/zinc/01/28/34/891012834.db2.gz MNOPIFFCBWZSBD-NQIIRXRSSA-N 2 2 388.515 3.816 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2cccc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000812829111 891012845 /nfs/dbraw/zinc/01/28/45/891012845.db2.gz MNOPIFFCBWZSBD-NQIIRXRSSA-N 2 2 388.515 3.816 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@@H]3COc4ccccc4O3)CC2)cc1 ZINC000812838606 891025854 /nfs/dbraw/zinc/02/58/54/891025854.db2.gz XETOTJUEWQQXNH-OAQYLSRUSA-N 2 2 381.520 3.541 20 0 GHADLP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cn2)CC1 ZINC000246805477 891309234 /nfs/dbraw/zinc/30/92/34/891309234.db2.gz AHPMLBAFGIGGRJ-NFBKMPQASA-N 2 2 393.579 3.713 20 0 GHADLP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cn2)CC1 ZINC000246805477 891309259 /nfs/dbraw/zinc/30/92/59/891309259.db2.gz AHPMLBAFGIGGRJ-NFBKMPQASA-N 2 2 393.579 3.713 20 0 GHADLP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247014709 891333107 /nfs/dbraw/zinc/33/31/07/891333107.db2.gz LKYXBDAIRVKFCF-XMSQKQJNSA-N 2 2 395.551 3.612 20 0 GHADLP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247014709 891333123 /nfs/dbraw/zinc/33/31/23/891333123.db2.gz LKYXBDAIRVKFCF-XMSQKQJNSA-N 2 2 395.551 3.612 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000247211135 891354903 /nfs/dbraw/zinc/35/49/03/891354903.db2.gz VSNCYUSTASXWDB-XMSQKQJNSA-N 2 2 389.547 3.696 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000247211135 891354910 /nfs/dbraw/zinc/35/49/10/891354910.db2.gz VSNCYUSTASXWDB-XMSQKQJNSA-N 2 2 389.547 3.696 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000497473099 891651635 /nfs/dbraw/zinc/65/16/35/891651635.db2.gz WHWNVGGPIHSJBT-HKBOAZHASA-N 2 2 387.474 3.519 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000497473099 891651643 /nfs/dbraw/zinc/65/16/43/891651643.db2.gz WHWNVGGPIHSJBT-HKBOAZHASA-N 2 2 387.474 3.519 20 0 GHADLP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000497473099 891651648 /nfs/dbraw/zinc/65/16/48/891651648.db2.gz WHWNVGGPIHSJBT-HKBOAZHASA-N 2 2 387.474 3.519 20 0 GHADLP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000497473099 891651653 /nfs/dbraw/zinc/65/16/53/891651653.db2.gz WHWNVGGPIHSJBT-HKBOAZHASA-N 2 2 387.474 3.519 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc(Br)o3)cc2)C[C@@H](C)O1 ZINC000237419518 891692995 /nfs/dbraw/zinc/69/29/95/891692995.db2.gz JGLKDTWDWGGXEV-HUUCEWRRSA-N 2 2 393.325 3.941 20 0 GHADLP CN(C)[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(F)cc1 ZINC000124831857 891993340 /nfs/dbraw/zinc/99/33/40/891993340.db2.gz IUQXUMQDEUILIH-QHCPKHFHSA-N 2 2 384.543 3.753 20 0 GHADLP [NH3+]CC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CCc1ccccc1 ZINC000261726499 892089981 /nfs/dbraw/zinc/08/99/81/892089981.db2.gz IZXSGHIPZAXTNM-UHFFFAOYSA-N 2 2 380.319 3.825 20 0 GHADLP [NH3+]CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CCc1ccccc1 ZINC000261726499 892089991 /nfs/dbraw/zinc/08/99/91/892089991.db2.gz IZXSGHIPZAXTNM-UHFFFAOYSA-N 2 2 380.319 3.825 20 0 GHADLP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000262066980 892211166 /nfs/dbraw/zinc/21/11/66/892211166.db2.gz OPDRUGFFPZGWJL-SFHVURJKSA-N 2 2 384.549 3.603 20 0 GHADLP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000262066980 892211179 /nfs/dbraw/zinc/21/11/79/892211179.db2.gz OPDRUGFFPZGWJL-SFHVURJKSA-N 2 2 384.549 3.603 20 0 GHADLP CC(C)C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000128753948 892374304 /nfs/dbraw/zinc/37/43/04/892374304.db2.gz DUROGFJZMGLMLW-GOSISDBHSA-N 2 2 386.565 3.559 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000262677923 892855287 /nfs/dbraw/zinc/85/52/87/892855287.db2.gz UVHCFYFAUHHGMB-FOUBCARRSA-N 2 2 381.520 3.570 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000262677923 892855299 /nfs/dbraw/zinc/85/52/99/892855299.db2.gz UVHCFYFAUHHGMB-FOUBCARRSA-N 2 2 381.520 3.570 20 0 GHADLP Cc1sc2nc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)[nH]c(=O)c2c1C ZINC000162624403 892892158 /nfs/dbraw/zinc/89/21/58/892892158.db2.gz BWLCKWGZVGBDOV-UHFFFAOYSA-N 2 2 388.581 3.689 20 0 GHADLP O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000876033523 892919144 /nfs/dbraw/zinc/91/91/44/892919144.db2.gz WJFKLABETXZPRE-QFIPXVFZSA-N 2 2 395.551 3.532 20 0 GHADLP Cc1ccc2cc[nH+]c(N3CCC(OCC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)c2c1 ZINC000645205655 913752988 /nfs/dbraw/zinc/75/29/88/913752988.db2.gz KKRDPVPQYGKHAL-RTBURBONSA-N 2 2 383.536 3.638 20 0 GHADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H](C)CC[P@](C)(=O)OCC ZINC000876828289 893353605 /nfs/dbraw/zinc/35/36/05/893353605.db2.gz QDKMQOFZSFXIAL-XGCWNURASA-N 2 2 397.500 3.972 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]CCCCn3cc[nH+]c3)CC[C@H]21 ZINC000876958398 893406611 /nfs/dbraw/zinc/40/66/11/893406611.db2.gz BMEYCBNPLQJGJV-GUDVDZBRSA-N 2 2 376.545 3.821 20 0 GHADLP CC(C)c1ncc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000536667104 893486884 /nfs/dbraw/zinc/48/68/84/893486884.db2.gz ZJZOIHJCYTVYJH-UHFFFAOYSA-N 3 2 378.630 3.895 20 0 GHADLP CC(C)c1ncc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000536667104 893486893 /nfs/dbraw/zinc/48/68/93/893486893.db2.gz ZJZOIHJCYTVYJH-UHFFFAOYSA-N 3 2 378.630 3.895 20 0 GHADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000129495749 893510280 /nfs/dbraw/zinc/51/02/80/893510280.db2.gz BCTDKDPZLNSNTM-MSOLQXFVSA-N 2 2 386.458 3.608 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cc2ccccc2o1 ZINC000129561225 893625223 /nfs/dbraw/zinc/62/52/23/893625223.db2.gz LGURQCICWICBRI-DWRORGKVSA-N 2 2 380.492 3.778 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cc2ccccc2o1 ZINC000129561225 893625228 /nfs/dbraw/zinc/62/52/28/893625228.db2.gz LGURQCICWICBRI-DWRORGKVSA-N 2 2 380.492 3.778 20 0 GHADLP CC1([NH+]2CCCC2)CC[NH+](Cc2cc3ccccc3nc2N2CCOCC2)CC1 ZINC000877675346 893757191 /nfs/dbraw/zinc/75/71/91/893757191.db2.gz XSCOQVVISXUZGD-UHFFFAOYSA-N 2 2 394.563 3.522 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)C[C@H]1c1ccccc1 ZINC000556119560 893832465 /nfs/dbraw/zinc/83/24/65/893832465.db2.gz AGMWTRVHEGTSDQ-WFXMLNOXSA-N 2 2 383.923 3.870 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)C[C@H]1c1ccccc1 ZINC000556119560 893832476 /nfs/dbraw/zinc/83/24/76/893832476.db2.gz AGMWTRVHEGTSDQ-WFXMLNOXSA-N 2 2 383.923 3.870 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000536876437 893992662 /nfs/dbraw/zinc/99/26/62/893992662.db2.gz LMVQSMDGNRWVDC-FUHWJXTLSA-N 2 2 399.489 3.869 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000536876437 893992670 /nfs/dbraw/zinc/99/26/70/893992670.db2.gz LMVQSMDGNRWVDC-FUHWJXTLSA-N 2 2 399.489 3.869 20 0 GHADLP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000563752418 894147143 /nfs/dbraw/zinc/14/71/43/894147143.db2.gz GQPDDBOTQTZGQP-BVSLBCMMSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000563752418 894147150 /nfs/dbraw/zinc/14/71/50/894147150.db2.gz GQPDDBOTQTZGQP-BVSLBCMMSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1ccccc1NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000563752418 894147151 /nfs/dbraw/zinc/14/71/51/894147151.db2.gz GQPDDBOTQTZGQP-BVSLBCMMSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1ccccc1NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000563752418 894147159 /nfs/dbraw/zinc/14/71/59/894147159.db2.gz GQPDDBOTQTZGQP-BVSLBCMMSA-N 2 2 377.532 3.776 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000536999376 894206416 /nfs/dbraw/zinc/20/64/16/894206416.db2.gz LCLUNYJELUQQFB-MOPGFXCFSA-N 2 2 397.485 3.689 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000536999376 894206430 /nfs/dbraw/zinc/20/64/30/894206430.db2.gz LCLUNYJELUQQFB-MOPGFXCFSA-N 2 2 397.485 3.689 20 0 GHADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cc2c(cc1Br)OCCO2 ZINC000537077283 894302112 /nfs/dbraw/zinc/30/21/12/894302112.db2.gz LUOAQTARKLWHBX-KGLIPLIRSA-N 2 2 383.330 3.745 20 0 GHADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cc2c(cc1Br)OCCO2 ZINC000537077283 894302116 /nfs/dbraw/zinc/30/21/16/894302116.db2.gz LUOAQTARKLWHBX-KGLIPLIRSA-N 2 2 383.330 3.745 20 0 GHADLP O[C@]1(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000537116765 894367606 /nfs/dbraw/zinc/36/76/06/894367606.db2.gz WFAHTNFGCKFYSD-UNMCSNQZSA-N 2 2 386.923 3.780 20 0 GHADLP O[C@]1(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000537116765 894367619 /nfs/dbraw/zinc/36/76/19/894367619.db2.gz WFAHTNFGCKFYSD-UNMCSNQZSA-N 2 2 386.923 3.780 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000564322331 894864448 /nfs/dbraw/zinc/86/44/48/894864448.db2.gz KGHMRBWPVHCLQP-UHFFFAOYSA-N 2 2 388.313 3.866 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000564322331 894864458 /nfs/dbraw/zinc/86/44/58/894864458.db2.gz KGHMRBWPVHCLQP-UHFFFAOYSA-N 2 2 388.313 3.866 20 0 GHADLP C[C@H](NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000888777061 895128896 /nfs/dbraw/zinc/12/88/96/895128896.db2.gz IOLSFLFPOGQBDO-MUGJNUQGSA-N 2 2 399.583 3.757 20 0 GHADLP C[C@H](NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000888777061 895128905 /nfs/dbraw/zinc/12/89/05/895128905.db2.gz IOLSFLFPOGQBDO-MUGJNUQGSA-N 2 2 399.583 3.757 20 0 GHADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[NH+](Cc4cccs4)CC3)ccc21 ZINC000455858032 895215878 /nfs/dbraw/zinc/21/58/78/895215878.db2.gz IQEOBVBOSPWINP-FQEVSTJZSA-N 2 2 384.549 3.647 20 0 GHADLP CCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001135761034 895225430 /nfs/dbraw/zinc/22/54/30/895225430.db2.gz XVCOZFQCJZKBTP-UHFFFAOYSA-N 2 2 389.540 3.540 20 0 GHADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001135761034 895225443 /nfs/dbraw/zinc/22/54/43/895225443.db2.gz XVCOZFQCJZKBTP-UHFFFAOYSA-N 2 2 389.540 3.540 20 0 GHADLP Cc1ccc(-c2nc(C[NH2+]Cc3ccncc3OCC[NH+](C)C)cs2)cc1 ZINC000566032496 896059445 /nfs/dbraw/zinc/05/94/45/896059445.db2.gz JDRDKSNATDMHCE-UHFFFAOYSA-N 2 2 382.533 3.744 20 0 GHADLP C[C@H](CC[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)[NH+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000566038289 896064040 /nfs/dbraw/zinc/06/40/40/896064040.db2.gz MTMGODBXGSYBEC-TWGBQZSLSA-N 2 2 388.596 3.832 20 0 GHADLP C[C@H](CC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)[NH+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000566038289 896064050 /nfs/dbraw/zinc/06/40/50/896064050.db2.gz MTMGODBXGSYBEC-TWGBQZSLSA-N 2 2 388.596 3.832 20 0 GHADLP C[C@H](CC[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000566038289 896064058 /nfs/dbraw/zinc/06/40/58/896064058.db2.gz MTMGODBXGSYBEC-TWGBQZSLSA-N 2 2 388.596 3.832 20 0 GHADLP C[C@H](CC[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000566038289 896064068 /nfs/dbraw/zinc/06/40/68/896064068.db2.gz MTMGODBXGSYBEC-TWGBQZSLSA-N 2 2 388.596 3.832 20 0 GHADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(OCc3ccccc3F)cc2)C[C@H](C)O1 ZINC000818339767 896119667 /nfs/dbraw/zinc/11/96/67/896119667.db2.gz CRSNGDUENAKVRP-OALUTQOASA-N 2 2 386.511 3.994 20 0 GHADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000566171664 896154264 /nfs/dbraw/zinc/15/42/64/896154264.db2.gz ISMOISMUSIPCBD-KRWDZBQOSA-N 2 2 386.565 3.664 20 0 GHADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000566171664 896154268 /nfs/dbraw/zinc/15/42/68/896154268.db2.gz ISMOISMUSIPCBD-KRWDZBQOSA-N 2 2 386.565 3.664 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819182525 896452414 /nfs/dbraw/zinc/45/24/14/896452414.db2.gz FUPWBJNKJGLVOG-VLIAUNLRSA-N 2 2 377.891 3.723 20 0 GHADLP COc1cccc(OC)c1OCCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000566937626 896716323 /nfs/dbraw/zinc/71/63/23/896716323.db2.gz IZGBRMHTHGDDMN-UHFFFAOYSA-N 2 2 385.508 3.834 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)CC2)cc1 ZINC000567322364 897060165 /nfs/dbraw/zinc/06/01/65/897060165.db2.gz JYGNUCVTVLRULB-NKKJXINNSA-N 2 2 399.579 3.794 20 0 GHADLP Cn1nc2c(c1C[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)CSCC2 ZINC000883112498 897291638 /nfs/dbraw/zinc/29/16/38/897291638.db2.gz NYYYRWFLPISHJJ-OAQYLSRUSA-N 2 2 384.593 3.600 20 0 GHADLP Cn1nc2c(c1C[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)CSCC2 ZINC000883112498 897291653 /nfs/dbraw/zinc/29/16/53/897291653.db2.gz NYYYRWFLPISHJJ-OAQYLSRUSA-N 2 2 384.593 3.600 20 0 GHADLP c1csc(N2CCC([NH2+]c3ccc(N4CC[N@@H+]5CCC[C@H]5C4)cc3)CC2)n1 ZINC000883346825 897517797 /nfs/dbraw/zinc/51/77/97/897517797.db2.gz HFFRCXFSCBNKAT-FQEVSTJZSA-N 2 2 383.565 3.508 20 0 GHADLP c1csc(N2CCC([NH2+]c3ccc(N4CC[N@H+]5CCC[C@H]5C4)cc3)CC2)n1 ZINC000883346825 897517806 /nfs/dbraw/zinc/51/78/06/897517806.db2.gz HFFRCXFSCBNKAT-FQEVSTJZSA-N 2 2 383.565 3.508 20 0 GHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000883386156 897548711 /nfs/dbraw/zinc/54/87/11/897548711.db2.gz APEVOOYBFCHHCF-AUSIDOKSSA-N 3 2 378.520 3.916 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000103303373 898083272 /nfs/dbraw/zinc/08/32/72/898083272.db2.gz NWIQKKMDOJUFBF-IBGZPJMESA-N 2 2 395.551 3.662 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000103303373 898083282 /nfs/dbraw/zinc/08/32/82/898083282.db2.gz NWIQKKMDOJUFBF-IBGZPJMESA-N 2 2 395.551 3.662 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000568832125 898143316 /nfs/dbraw/zinc/14/33/16/898143316.db2.gz IHRGTOLZLPNXHC-FQEVSTJZSA-N 2 2 386.499 3.673 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000568832125 898143322 /nfs/dbraw/zinc/14/33/22/898143322.db2.gz IHRGTOLZLPNXHC-FQEVSTJZSA-N 2 2 386.499 3.673 20 0 GHADLP Cc1ccc([C@@H](NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c2cccs2)cc1 ZINC000109795484 898594728 /nfs/dbraw/zinc/59/47/28/898594728.db2.gz CQZUQMVFULVBRB-JOCHJYFZSA-N 2 2 394.544 3.796 20 0 GHADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2nc3ccc(F)cc3s2)c2ccccc2)CC1 ZINC000569425578 898647166 /nfs/dbraw/zinc/64/71/66/898647166.db2.gz UTJGKXOQUMAKCM-LJQANCHMSA-N 2 2 384.524 3.514 20 0 GHADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001136731964 899084756 /nfs/dbraw/zinc/08/47/56/899084756.db2.gz LGDFKQBXKWYNBW-IBGZPJMESA-N 2 2 398.378 3.947 20 0 GHADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001136731964 899084773 /nfs/dbraw/zinc/08/47/73/899084773.db2.gz LGDFKQBXKWYNBW-IBGZPJMESA-N 2 2 398.378 3.947 20 0 GHADLP C[C@H]1C[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCN1C(=O)OC(C)(C)C ZINC000823654307 899163403 /nfs/dbraw/zinc/16/34/03/899163403.db2.gz UCDWHRIDORXYKQ-ROUUACIJSA-N 2 2 388.556 3.676 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000823653956 899165334 /nfs/dbraw/zinc/16/53/34/899165334.db2.gz JNAWTYCOBNKLFP-MJGOQNOKSA-N 2 2 388.556 3.818 20 0 GHADLP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3ncnc4c3C[N@H+](C)CC4)[C@H](C)C2)CC[C@H]1[NH3+] ZINC001171026235 899221353 /nfs/dbraw/zinc/22/13/53/899221353.db2.gz ABNLHVYSUMJAND-DOVHUEEUSA-N 2 2 385.600 3.835 20 0 GHADLP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3ncnc4c3C[N@@H+](C)CC4)[C@H](C)C2)CC[C@H]1[NH3+] ZINC001171026235 899221366 /nfs/dbraw/zinc/22/13/66/899221366.db2.gz ABNLHVYSUMJAND-DOVHUEEUSA-N 2 2 385.600 3.835 20 0 GHADLP C[C@H]1C[C@H](C[NH2+]CCCCNc2cccc[nH+]2)CCN1C(=O)OC(C)(C)C ZINC000823781656 899247557 /nfs/dbraw/zinc/24/75/57/899247557.db2.gz FFGWWZHSZFSXOY-ZWKOTPCHSA-N 2 2 376.545 3.899 20 0 GHADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000824575888 899694812 /nfs/dbraw/zinc/69/48/12/899694812.db2.gz SZMYELBAHGEFOS-APWZRJJASA-N 2 2 385.512 3.535 20 0 GHADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000824575888 899694819 /nfs/dbraw/zinc/69/48/19/899694819.db2.gz SZMYELBAHGEFOS-APWZRJJASA-N 2 2 385.512 3.535 20 0 GHADLP Cc1ccccc1Cc1nnc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000333020366 899897474 /nfs/dbraw/zinc/89/74/74/899897474.db2.gz ITGWSINMDNMSPK-UHFFFAOYSA-N 2 2 391.519 3.881 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCO[C@H](c4ccncc4)C3)CC2)cc1 ZINC000824954132 899906053 /nfs/dbraw/zinc/90/60/53/899906053.db2.gz OORHVXGKXIXOFQ-OFNKIYASSA-N 2 2 380.536 3.626 20 0 GHADLP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333059228 899928630 /nfs/dbraw/zinc/92/86/30/899928630.db2.gz SBBBCJAUKNZWKA-UHFFFAOYSA-N 2 2 386.927 3.999 20 0 GHADLP CSc1ccc(NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000333071272 899937444 /nfs/dbraw/zinc/93/74/44/899937444.db2.gz UYWCNFUOIZKUOX-UHFFFAOYSA-N 2 2 384.549 3.759 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)N[C@H]1CCCc2ccccc21 ZINC000333083898 899947266 /nfs/dbraw/zinc/94/72/66/899947266.db2.gz XWEGCHLXYBYWIX-QFIPXVFZSA-N 2 2 392.547 3.593 20 0 GHADLP COCC[N@H+](Cc1ccc(Cl)c(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001143357472 900220245 /nfs/dbraw/zinc/22/02/45/900220245.db2.gz FHXBWYGLXFHRFB-UHFFFAOYSA-N 2 2 380.838 3.781 20 0 GHADLP COCC[N@@H+](Cc1ccc(Cl)c(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001143357472 900220257 /nfs/dbraw/zinc/22/02/57/900220257.db2.gz FHXBWYGLXFHRFB-UHFFFAOYSA-N 2 2 380.838 3.781 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)C1 ZINC001171098520 900436698 /nfs/dbraw/zinc/43/66/98/900436698.db2.gz KFFAPTMUPKLAJS-KVPLUYHFSA-N 2 2 383.502 3.584 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)C1 ZINC001171098520 900436705 /nfs/dbraw/zinc/43/67/05/900436705.db2.gz KFFAPTMUPKLAJS-KVPLUYHFSA-N 2 2 383.502 3.584 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(C(F)(F)F)c(Cl)c1)CC2 ZINC001143807943 900536260 /nfs/dbraw/zinc/53/62/60/900536260.db2.gz RCWDRTDNQWSOAE-UHFFFAOYSA-N 2 2 375.822 3.989 20 0 GHADLP Cc1[nH]c(C2CC[NH+](C[C@H](O)c3ccccc3Br)CC2)[nH+]c1C ZINC000886664250 901213493 /nfs/dbraw/zinc/21/34/93/901213493.db2.gz GYJZULWESNJNLO-KRWDZBQOSA-N 2 2 378.314 3.702 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[NH+]3CCC(c4[nH]c(C)c(C)[nH+]4)CC3)co2)cc1 ZINC000886662914 901213918 /nfs/dbraw/zinc/21/39/18/901213918.db2.gz PLZQFUSCGPSNOB-UHFFFAOYSA-N 2 2 394.475 3.848 20 0 GHADLP COc1ccc(NC(=O)C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cc1Cl ZINC000886664720 901215501 /nfs/dbraw/zinc/21/55/01/901215501.db2.gz VPUGVVXZZMYLIK-UHFFFAOYSA-N 2 2 376.888 3.507 20 0 GHADLP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3OC(F)F)CC2)[nH+]c1C ZINC000886669730 901217168 /nfs/dbraw/zinc/21/71/68/901217168.db2.gz CSUOCMXOVDUVJL-CQSZACIVSA-N 2 2 392.450 3.835 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc(-n4cccc4)cc2)CC3)cn1 ZINC001144240677 901393407 /nfs/dbraw/zinc/39/34/07/901393407.db2.gz DUEYLMOQBBWUFS-UHFFFAOYSA-N 2 2 389.547 3.841 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccc(-n4cccc4)cc2)CC3)cn1 ZINC001144240677 901393419 /nfs/dbraw/zinc/39/34/19/901393419.db2.gz DUEYLMOQBBWUFS-UHFFFAOYSA-N 2 2 389.547 3.841 20 0 GHADLP CCc1cccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)c1 ZINC001144322978 901738590 /nfs/dbraw/zinc/73/85/90/901738590.db2.gz LBAHPORRQFTGAK-IFMALSPDSA-N 2 2 385.577 3.737 20 0 GHADLP CCc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)c1 ZINC001144322978 901738603 /nfs/dbraw/zinc/73/86/03/901738603.db2.gz LBAHPORRQFTGAK-IFMALSPDSA-N 2 2 385.577 3.737 20 0 GHADLP CCc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4csc(C)n4)CCO[C@@H]3C2)c1 ZINC001144322978 901738614 /nfs/dbraw/zinc/73/86/14/901738614.db2.gz LBAHPORRQFTGAK-IFMALSPDSA-N 2 2 385.577 3.737 20 0 GHADLP CCc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4csc(C)n4)CCO[C@@H]3C2)c1 ZINC001144322978 901738647 /nfs/dbraw/zinc/73/86/47/901738647.db2.gz LBAHPORRQFTGAK-IFMALSPDSA-N 2 2 385.577 3.737 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000576228026 901844064 /nfs/dbraw/zinc/84/40/64/901844064.db2.gz WNRVORIMIIBFHJ-RYUDHWBXSA-N 2 2 390.742 3.907 20 0 GHADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000576228026 901844076 /nfs/dbraw/zinc/84/40/76/901844076.db2.gz WNRVORIMIIBFHJ-RYUDHWBXSA-N 2 2 390.742 3.907 20 0 GHADLP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)c2)CC1 ZINC000333261995 901950797 /nfs/dbraw/zinc/95/07/97/901950797.db2.gz MFTNVVPQVKBUAO-UHFFFAOYSA-N 2 2 395.551 3.731 20 0 GHADLP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)c2)CC1 ZINC000333261995 901950811 /nfs/dbraw/zinc/95/08/11/901950811.db2.gz MFTNVVPQVKBUAO-UHFFFAOYSA-N 2 2 395.551 3.731 20 0 GHADLP Cc1cn2cc(NC(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)ccc2[nH+]1 ZINC000577105010 902505039 /nfs/dbraw/zinc/50/50/39/902505039.db2.gz AJNYEBGALPXZOW-UXHICEINSA-N 2 2 389.503 3.629 20 0 GHADLP Cc1cn2cc(NC(=O)N3C[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)ccc2[nH+]1 ZINC000577105010 902505049 /nfs/dbraw/zinc/50/50/49/902505049.db2.gz AJNYEBGALPXZOW-UXHICEINSA-N 2 2 389.503 3.629 20 0 GHADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc(F)c(O)cc1F)CC2 ZINC001144651656 902561285 /nfs/dbraw/zinc/56/12/85/902561285.db2.gz YAZUPZINWJAJLB-UHFFFAOYSA-N 2 2 387.474 3.942 20 0 GHADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc(F)c(O)cc1F)CC2 ZINC001144651656 902561290 /nfs/dbraw/zinc/56/12/90/902561290.db2.gz YAZUPZINWJAJLB-UHFFFAOYSA-N 2 2 387.474 3.942 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000263849912 902606321 /nfs/dbraw/zinc/60/63/21/902606321.db2.gz RUCMNEPMYMVKNE-GOSISDBHSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000263849912 902606328 /nfs/dbraw/zinc/60/63/28/902606328.db2.gz RUCMNEPMYMVKNE-GOSISDBHSA-N 2 2 395.551 3.731 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000130125425 902899712 /nfs/dbraw/zinc/89/97/12/902899712.db2.gz XWTPQQALJDCGDO-WIYYLYMNSA-N 2 2 399.539 3.719 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(CSC(F)F)o3)[nH+]c2)C1 ZINC000772963653 903448795 /nfs/dbraw/zinc/44/87/95/903448795.db2.gz GGCPCCHALBOWPV-CQSZACIVSA-N 2 2 382.480 3.883 20 0 GHADLP FC(F)(F)c1cccc(-c2noc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)n2)c1 ZINC000265452762 903899704 /nfs/dbraw/zinc/89/97/04/903899704.db2.gz CLFSSYUJCYYFEA-UHFFFAOYSA-N 2 2 377.370 3.858 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N(C2CC2)C2CCC(C)CC2)CC1 ZINC000578581962 903981507 /nfs/dbraw/zinc/98/15/07/903981507.db2.gz PEUSLYXTHVRJCA-UHFFFAOYSA-N 2 2 385.552 3.803 20 0 GHADLP CC(C)[C@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000578610867 904006475 /nfs/dbraw/zinc/00/64/75/904006475.db2.gz YBEGTALXKYBVRU-QHCPKHFHSA-N 2 2 394.563 3.912 20 0 GHADLP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000578803417 904133548 /nfs/dbraw/zinc/13/35/48/904133548.db2.gz VRSWYEGBWZEIFL-QHCPKHFHSA-N 2 2 375.520 3.754 20 0 GHADLP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000578803417 904133556 /nfs/dbraw/zinc/13/35/56/904133556.db2.gz VRSWYEGBWZEIFL-QHCPKHFHSA-N 2 2 375.520 3.754 20 0 GHADLP C[N@H+](C[C@H](O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1)C1CC1 ZINC000579531344 904678859 /nfs/dbraw/zinc/67/88/59/904678859.db2.gz YQHUKIMBGSHZBX-INIZCTEOSA-N 2 2 379.957 3.584 20 0 GHADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1)C1CC1 ZINC000579531344 904678864 /nfs/dbraw/zinc/67/88/64/904678864.db2.gz YQHUKIMBGSHZBX-INIZCTEOSA-N 2 2 379.957 3.584 20 0 GHADLP O=c1oc2ccc(F)cc2n1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000773323674 904714368 /nfs/dbraw/zinc/71/43/68/904714368.db2.gz YWIKDYJFDOMYAO-UHFFFAOYSA-N 2 2 395.478 3.679 20 0 GHADLP O=c1oc2ccc(F)cc2n1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000773323674 904714375 /nfs/dbraw/zinc/71/43/75/904714375.db2.gz YWIKDYJFDOMYAO-UHFFFAOYSA-N 2 2 395.478 3.679 20 0 GHADLP C[NH+]1CCC(CO)([NH2+]C2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC001171649573 904895805 /nfs/dbraw/zinc/89/58/05/904895805.db2.gz BTWNHNXZRORCBQ-UHFFFAOYSA-N 2 2 381.358 3.522 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CC12CCC2 ZINC001171850039 905097755 /nfs/dbraw/zinc/09/77/55/905097755.db2.gz CZIJEYNHMKSZOZ-IBGZPJMESA-N 2 2 389.584 3.726 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CC12CCC2 ZINC001171850039 905097774 /nfs/dbraw/zinc/09/77/74/905097774.db2.gz CZIJEYNHMKSZOZ-IBGZPJMESA-N 2 2 389.584 3.726 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)C[NH+]([C@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171981056 905231386 /nfs/dbraw/zinc/23/13/86/905231386.db2.gz JZLUBYFVLKQNIA-FQEVSTJZSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)C[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171981056 905231398 /nfs/dbraw/zinc/23/13/98/905231398.db2.gz JZLUBYFVLKQNIA-FQEVSTJZSA-N 2 2 399.579 3.982 20 0 GHADLP CC[N@@H+](Cc1nc(-c2ccsc2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174393171 905264556 /nfs/dbraw/zinc/26/45/56/905264556.db2.gz REJWOSHFWPQURW-UHFFFAOYSA-N 2 2 383.521 3.932 20 0 GHADLP CC[N@H+](Cc1nc(-c2ccsc2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174393171 905264569 /nfs/dbraw/zinc/26/45/69/905264569.db2.gz REJWOSHFWPQURW-UHFFFAOYSA-N 2 2 383.521 3.932 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC[NH+](Cc4cccnc4)CC2)C3)cc1 ZINC001172078943 905290151 /nfs/dbraw/zinc/29/01/51/905290151.db2.gz KJLRQQZRDKLASZ-LNWKWYTESA-N 2 2 390.575 3.785 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC[NH+](Cc4cccnc4)CC2)C3)cc1 ZINC001172078943 905290167 /nfs/dbraw/zinc/29/01/67/905290167.db2.gz KJLRQQZRDKLASZ-LNWKWYTESA-N 2 2 390.575 3.785 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@@H](n3cc[nH+]c3[C@H]3CCC[NH2+]C3)CC[C@H]2C1 ZINC001172532616 905594563 /nfs/dbraw/zinc/59/45/63/905594563.db2.gz UQNOQJYZEQIGMU-CMOCDZPBSA-N 2 2 392.547 3.854 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172540945 905643435 /nfs/dbraw/zinc/64/34/35/905643435.db2.gz LSKKDNNEUCQPEZ-SGNDLWITSA-N 2 2 386.580 3.774 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172540945 905643446 /nfs/dbraw/zinc/64/34/46/905643446.db2.gz LSKKDNNEUCQPEZ-SGNDLWITSA-N 2 2 386.580 3.774 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172540945 905643457 /nfs/dbraw/zinc/64/34/57/905643457.db2.gz LSKKDNNEUCQPEZ-SGNDLWITSA-N 2 2 386.580 3.774 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+]([C@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172540945 905643464 /nfs/dbraw/zinc/64/34/64/905643464.db2.gz LSKKDNNEUCQPEZ-SGNDLWITSA-N 2 2 386.580 3.774 20 0 GHADLP COC(=O)[C@@H]1CCC[C@H]([NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)C1 ZINC001172615948 905673809 /nfs/dbraw/zinc/67/38/09/905673809.db2.gz JUOANFPSMVHVJT-BEFAXECRSA-N 2 2 379.460 3.725 20 0 GHADLP C[NH+]1CCC(c2ccc(Nc3cccc(OCC[NH+]4CCOCC4)c3)cc2)CC1 ZINC001212690794 905921726 /nfs/dbraw/zinc/92/17/26/905921726.db2.gz XOLNMVISWGEDMP-UHFFFAOYSA-N 2 2 395.547 3.950 20 0 GHADLP CC[NH+]1CCN(c2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc2F)CC1 ZINC001212696744 906026853 /nfs/dbraw/zinc/02/68/53/906026853.db2.gz JGCVZEMTGYDVPX-UHFFFAOYSA-N 2 2 379.483 3.956 20 0 GHADLP c1csc(C[N@@H+]2CC[C@H]3C[NH+](C4CCC5(CCOCC5)CC4)CC[C@H]32)n1 ZINC001173048765 906121086 /nfs/dbraw/zinc/12/10/86/906121086.db2.gz ZVRGRXIRXVJKNT-PKOBYXMFSA-N 2 2 375.582 3.779 20 0 GHADLP c1csc(C[N@H+]2CC[C@H]3C[NH+](C4CCC5(CCOCC5)CC4)CC[C@H]32)n1 ZINC001173048765 906121093 /nfs/dbraw/zinc/12/10/93/906121093.db2.gz ZVRGRXIRXVJKNT-PKOBYXMFSA-N 2 2 375.582 3.779 20 0 GHADLP c1csc(C[NH+]2CC[C@H]3C[N@@H+](C4CCC5(CCOCC5)CC4)CC[C@H]32)n1 ZINC001173048765 906121104 /nfs/dbraw/zinc/12/11/04/906121104.db2.gz ZVRGRXIRXVJKNT-PKOBYXMFSA-N 2 2 375.582 3.779 20 0 GHADLP c1csc(C[NH+]2CC[C@H]3C[N@H+](C4CCC5(CCOCC5)CC4)CC[C@H]32)n1 ZINC001173048765 906121111 /nfs/dbraw/zinc/12/11/11/906121111.db2.gz ZVRGRXIRXVJKNT-PKOBYXMFSA-N 2 2 375.582 3.779 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001173086179 906187419 /nfs/dbraw/zinc/18/74/19/906187419.db2.gz RJXXRPXVFMQOKG-HNNXBMFYSA-N 2 2 395.425 3.742 20 0 GHADLP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@@H+]1[C@H]1CCCC2(CCCCC2)C1 ZINC001173346554 906384943 /nfs/dbraw/zinc/38/49/43/906384943.db2.gz YYIQBAINNQQTIL-SFTDATJTSA-N 2 2 399.627 3.900 20 0 GHADLP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@H+]1[C@H]1CCCC2(CCCCC2)C1 ZINC001173346554 906384955 /nfs/dbraw/zinc/38/49/55/906384955.db2.gz YYIQBAINNQQTIL-SFTDATJTSA-N 2 2 399.627 3.900 20 0 GHADLP COC(=O)CCCC[C@@H](C)[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001173458229 906498689 /nfs/dbraw/zinc/49/86/89/906498689.db2.gz RIIVWLBYNIQQNG-CYBMUJFWSA-N 2 2 394.313 3.618 20 0 GHADLP CC[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1F ZINC000180172765 906707075 /nfs/dbraw/zinc/70/70/75/906707075.db2.gz UDIXCWIFIUEPCC-JOCHJYFZSA-N 2 2 399.510 3.727 20 0 GHADLP Cc1ccc(-c2ccc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)s2)o1 ZINC000180865412 906864751 /nfs/dbraw/zinc/86/47/51/906864751.db2.gz GDAVRECSTIYNMB-UHFFFAOYSA-N 2 2 387.549 3.605 20 0 GHADLP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)CC[C@H]1C(F)(F)F ZINC000629656814 906934931 /nfs/dbraw/zinc/93/49/31/906934931.db2.gz RCVFFIXXLXWPMX-FUHWJXTLSA-N 2 2 379.426 3.620 20 0 GHADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)CC[C@H]1C(F)(F)F ZINC000629656814 906934937 /nfs/dbraw/zinc/93/49/37/906934937.db2.gz RCVFFIXXLXWPMX-FUHWJXTLSA-N 2 2 379.426 3.620 20 0 GHADLP CC[N@@H+](Cc1nnc(C2CC2)n1C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000181403988 906993830 /nfs/dbraw/zinc/99/38/30/906993830.db2.gz BLRUALNGYNRDNE-UHFFFAOYSA-N 2 2 380.540 3.624 20 0 GHADLP CC[N@H+](Cc1nnc(C2CC2)n1C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000181403988 906993854 /nfs/dbraw/zinc/99/38/54/906993854.db2.gz BLRUALNGYNRDNE-UHFFFAOYSA-N 2 2 380.540 3.624 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000181588070 907032820 /nfs/dbraw/zinc/03/28/20/907032820.db2.gz BIYWKKCINXLQNH-ZWKOTPCHSA-N 2 2 394.519 3.914 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000181588089 907033030 /nfs/dbraw/zinc/03/30/30/907033030.db2.gz BIYWKKCINXLQNH-QZTJIDSGSA-N 2 2 394.519 3.914 20 0 GHADLP CC(C)CCO[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001174956051 907310739 /nfs/dbraw/zinc/31/07/39/907310739.db2.gz FDKMIIJFTFXXNQ-JOCHJYFZSA-N 2 2 394.003 3.989 20 0 GHADLP CC(C)CCO[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001174956051 907310750 /nfs/dbraw/zinc/31/07/50/907310750.db2.gz FDKMIIJFTFXXNQ-JOCHJYFZSA-N 2 2 394.003 3.989 20 0 GHADLP O=C1Nc2ccccc2S[C@H]1CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001175678256 907688725 /nfs/dbraw/zinc/68/87/25/907688725.db2.gz OAZZWCJUZUFTGW-ICSRJNTNSA-N 2 2 378.501 3.717 20 0 GHADLP O=C(C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)Nc1nc2ccc(F)cc2s1 ZINC001175678247 907689169 /nfs/dbraw/zinc/68/91/69/907689169.db2.gz NZPQEOCTMNKESB-QGZVFWFLSA-N 2 2 395.463 3.602 20 0 GHADLP Cc1ccc([C@H](C)N(C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000299479626 921362974 /nfs/dbraw/zinc/36/29/74/921362974.db2.gz BPWZDMRRYGVWGK-IBGZPJMESA-N 2 2 386.584 3.564 20 0 GHADLP C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000186469713 907929667 /nfs/dbraw/zinc/92/96/67/907929667.db2.gz GUHFIDXPHSFKOM-DOTOQJQBSA-N 2 2 387.959 3.878 20 0 GHADLP C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000186469713 907929676 /nfs/dbraw/zinc/92/96/76/907929676.db2.gz GUHFIDXPHSFKOM-DOTOQJQBSA-N 2 2 387.959 3.878 20 0 GHADLP C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000186469763 907929840 /nfs/dbraw/zinc/92/98/40/907929840.db2.gz GUHFIDXPHSFKOM-WBVHZDCISA-N 2 2 387.959 3.878 20 0 GHADLP C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000186469763 907929846 /nfs/dbraw/zinc/92/98/46/907929846.db2.gz GUHFIDXPHSFKOM-WBVHZDCISA-N 2 2 387.959 3.878 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2Cl)[C@H](C)C1 ZINC000187014457 908019684 /nfs/dbraw/zinc/01/96/84/908019684.db2.gz LUKRUDPJQXRTMY-MJGOQNOKSA-N 2 2 395.975 3.622 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2Cl)[C@H](C)C1 ZINC000187014457 908019697 /nfs/dbraw/zinc/01/96/97/908019697.db2.gz LUKRUDPJQXRTMY-MJGOQNOKSA-N 2 2 395.975 3.622 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCS2 ZINC000191497830 908632556 /nfs/dbraw/zinc/63/25/56/908632556.db2.gz GLPDSQFQPXNLIJ-NRFANRHFSA-N 2 2 384.545 3.854 20 0 GHADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000191838205 908682186 /nfs/dbraw/zinc/68/21/86/908682186.db2.gz CYSIVXUYUQDOFF-FDDCHVKYSA-N 2 2 381.520 3.587 20 0 GHADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000191838205 908682194 /nfs/dbraw/zinc/68/21/94/908682194.db2.gz CYSIVXUYUQDOFF-FDDCHVKYSA-N 2 2 381.520 3.587 20 0 GHADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC001178172196 908948946 /nfs/dbraw/zinc/94/89/46/908948946.db2.gz ZTHSZLDMEJKYGA-SJORKVTESA-N 2 2 387.749 3.570 20 0 GHADLP CCCOc1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1OC ZINC001178232579 908969308 /nfs/dbraw/zinc/96/93/08/908969308.db2.gz SGTQYYHYELVVRL-IBGZPJMESA-N 2 2 384.524 3.631 20 0 GHADLP COc1cc2c(cc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)OCO2 ZINC001178276385 908980758 /nfs/dbraw/zinc/98/07/58/908980758.db2.gz ONCFWOVPQBSDRY-LJQANCHMSA-N 2 2 379.460 3.768 20 0 GHADLP CN1Cc2ccccc2[C@H]([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)C1 ZINC001178425779 909054421 /nfs/dbraw/zinc/05/44/21/909054421.db2.gz HKMHKFOEYPMMFV-OAQYLSRUSA-N 2 2 396.922 3.892 20 0 GHADLP C[C@@H]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000266303027 909070149 /nfs/dbraw/zinc/07/01/49/909070149.db2.gz ATQFMPNLKJOELF-HXUWFJFHSA-N 2 2 388.515 3.668 20 0 GHADLP C[C@@H]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000266303027 909070174 /nfs/dbraw/zinc/07/01/74/909070174.db2.gz ATQFMPNLKJOELF-HXUWFJFHSA-N 2 2 388.515 3.668 20 0 GHADLP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635474723 909262474 /nfs/dbraw/zinc/26/24/74/909262474.db2.gz YHRFIUSGDUFTCF-FQEVSTJZSA-N 2 2 386.565 3.966 20 0 GHADLP C[NH+](C)CC1(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000635499030 909273169 /nfs/dbraw/zinc/27/31/69/909273169.db2.gz PKMPRIAZMZHYIA-UHFFFAOYSA-N 2 2 388.515 3.556 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]CC2=CC[N@H+](C)CC2)cs1)c1ccc(C)c(C)c1 ZINC000638839042 910248186 /nfs/dbraw/zinc/24/81/86/910248186.db2.gz VNEJAKHPAVOCQC-UHFFFAOYSA-N 2 2 384.549 3.796 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]CC2=CC[N@@H+](C)CC2)cs1)c1ccc(C)c(C)c1 ZINC000638839042 910248196 /nfs/dbraw/zinc/24/81/96/910248196.db2.gz VNEJAKHPAVOCQC-UHFFFAOYSA-N 2 2 384.549 3.796 20 0 GHADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)nc(N2CCCC2)n1 ZINC000639218123 910355066 /nfs/dbraw/zinc/35/50/66/910355066.db2.gz AJUOUIXQUMSREP-REWPJTCUSA-N 2 2 391.563 3.843 20 0 GHADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)nc(N2CCCC2)n1 ZINC000639218123 910355073 /nfs/dbraw/zinc/35/50/73/910355073.db2.gz AJUOUIXQUMSREP-REWPJTCUSA-N 2 2 391.563 3.843 20 0 GHADLP C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC[N@@H+]1C ZINC000270177873 910470716 /nfs/dbraw/zinc/47/07/16/910470716.db2.gz CKKSVIHXXIOXAP-SJLPKXTDSA-N 2 2 379.508 3.548 20 0 GHADLP C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC[N@H+]1C ZINC000270177873 910470731 /nfs/dbraw/zinc/47/07/31/910470731.db2.gz CKKSVIHXXIOXAP-SJLPKXTDSA-N 2 2 379.508 3.548 20 0 GHADLP Cc1noc(CCC[NH+]2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000270321855 910519558 /nfs/dbraw/zinc/51/95/58/910519558.db2.gz ISAPJYXIPCEKPX-UHFFFAOYSA-N 2 2 396.457 3.926 20 0 GHADLP Cc1noc(CCC[NH+]2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000270321855 910519571 /nfs/dbraw/zinc/51/95/71/910519571.db2.gz ISAPJYXIPCEKPX-UHFFFAOYSA-N 2 2 396.457 3.926 20 0 GHADLP C[C@@H]1CN(c2ccc(NC3CC[NH+](CCC(F)(F)F)CC3)c[nH+]2)C[C@H](C)O1 ZINC001181349533 910743481 /nfs/dbraw/zinc/74/34/81/910743481.db2.gz LHRCRSYFQHEVHQ-GASCZTMLSA-N 2 2 386.462 3.524 20 0 GHADLP C[N@@H+]1CCN(C(=O)C23CC(C2)CC[NH+]3Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC001181480165 910812535 /nfs/dbraw/zinc/81/25/35/910812535.db2.gz BHIBJOVOGNAAPM-XRODLIKFSA-N 2 2 389.543 3.556 20 0 GHADLP C[N@H+]1CCN(C(=O)C23CC(C2)CC[NH+]3Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC001181480165 910812549 /nfs/dbraw/zinc/81/25/49/910812549.db2.gz BHIBJOVOGNAAPM-XRODLIKFSA-N 2 2 389.543 3.556 20 0 GHADLP C[NH+]1CCN(C(=O)C23CC(C2)CC[N@@H+]3Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC001181480165 910812565 /nfs/dbraw/zinc/81/25/65/910812565.db2.gz BHIBJOVOGNAAPM-XRODLIKFSA-N 2 2 389.543 3.556 20 0 GHADLP C[NH+]1CCN(C(=O)C23CC(C2)CC[N@H+]3Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC001181480165 910812570 /nfs/dbraw/zinc/81/25/70/910812570.db2.gz BHIBJOVOGNAAPM-XRODLIKFSA-N 2 2 389.543 3.556 20 0 GHADLP Cc1cn2cc(NC(=O)N(C)CCC3CCN(c4cc[nH+]cc4)CC3)ccc2[nH+]1 ZINC000271594464 910975680 /nfs/dbraw/zinc/97/56/80/910975680.db2.gz SUQZSIHGZZQBEN-UHFFFAOYSA-N 2 2 392.507 3.808 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3c(F)cccc3Br)CC2)CC1 ZINC000271614529 910985900 /nfs/dbraw/zinc/98/59/00/910985900.db2.gz WVYQRKZXRFMXQH-UHFFFAOYSA-N 2 2 398.364 3.579 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000774006761 911228936 /nfs/dbraw/zinc/22/89/36/911228936.db2.gz IQTRBHQIOUXXCT-AZUAARDMSA-N 2 2 392.906 3.716 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000774006761 911228942 /nfs/dbraw/zinc/22/89/42/911228942.db2.gz IQTRBHQIOUXXCT-AZUAARDMSA-N 2 2 392.906 3.716 20 0 GHADLP CCCC[N@H+](CC)[C@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC001182237304 911281862 /nfs/dbraw/zinc/28/18/62/911281862.db2.gz PXHHZCLLIBYGNE-IRLDBZIGSA-N 2 2 380.536 3.640 20 0 GHADLP CCCC[N@@H+](CC)[C@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC001182237304 911281874 /nfs/dbraw/zinc/28/18/74/911281874.db2.gz PXHHZCLLIBYGNE-IRLDBZIGSA-N 2 2 380.536 3.640 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000283058826 911356101 /nfs/dbraw/zinc/35/61/01/911356101.db2.gz WJZKUIRKNDPTGB-PMACEKPBSA-N 2 2 395.551 3.599 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000283058826 911356122 /nfs/dbraw/zinc/35/61/22/911356122.db2.gz WJZKUIRKNDPTGB-PMACEKPBSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000642343428 912002208 /nfs/dbraw/zinc/00/22/08/912002208.db2.gz RMPPGFCHOZHBFG-FZMZJTMJSA-N 2 2 381.320 3.933 20 0 GHADLP O=C1[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccccc1F ZINC000647182917 915073760 /nfs/dbraw/zinc/07/37/60/915073760.db2.gz ZSKREAIAHLJJMY-FPOVZHCZSA-N 2 2 393.506 3.718 20 0 GHADLP O=C1[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccccc1F ZINC000647182917 915073772 /nfs/dbraw/zinc/07/37/72/915073772.db2.gz ZSKREAIAHLJJMY-FPOVZHCZSA-N 2 2 393.506 3.718 20 0 GHADLP C[NH+](C)Cc1ccc(C(=O)NC2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1 ZINC001187295216 915179904 /nfs/dbraw/zinc/17/99/04/915179904.db2.gz VHVVMPUIDJWKEX-UHFFFAOYSA-N 2 2 399.538 3.952 20 0 GHADLP COc1ccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c(Cl)c1OC ZINC000293075867 915989994 /nfs/dbraw/zinc/98/99/94/915989994.db2.gz VWCMVPPMKJXOAJ-UHFFFAOYSA-N 2 2 394.865 3.906 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2c(Cl)oc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000649772490 916391600 /nfs/dbraw/zinc/39/16/00/916391600.db2.gz PAAPJVWJOICZCB-UHFFFAOYSA-N 2 2 389.927 3.766 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000650416407 916970231 /nfs/dbraw/zinc/97/02/31/916970231.db2.gz FRQBQDJQJDANEG-QGZVFWFLSA-N 2 2 399.564 3.629 20 0 GHADLP CSc1ccc([C@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[NH+](C)C)cc1 ZINC000294837944 917006112 /nfs/dbraw/zinc/00/61/12/917006112.db2.gz MWQMXSVJYQZODF-NRFANRHFSA-N 2 2 394.544 3.686 20 0 GHADLP CC(C)COC(=O)N1CCC([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000775373879 917239020 /nfs/dbraw/zinc/23/90/20/917239020.db2.gz DLKMCNLYKFAPMC-QFIPXVFZSA-N 2 2 387.568 3.744 20 0 GHADLP CC(C)COC(=O)N1CCC([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000775373879 917239034 /nfs/dbraw/zinc/23/90/34/917239034.db2.gz DLKMCNLYKFAPMC-QFIPXVFZSA-N 2 2 387.568 3.744 20 0 GHADLP CC[N@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CCCCC1 ZINC001190325449 917258072 /nfs/dbraw/zinc/25/80/72/917258072.db2.gz OMSLNXBPSBWPFF-UHFFFAOYSA-N 2 2 378.586 3.968 20 0 GHADLP CC[N@@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CCCCC1 ZINC001190325449 917258083 /nfs/dbraw/zinc/25/80/83/917258083.db2.gz OMSLNXBPSBWPFF-UHFFFAOYSA-N 2 2 378.586 3.968 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)Cc3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000651114115 917440555 /nfs/dbraw/zinc/44/05/55/917440555.db2.gz OJMPQUWWFQTSFJ-KDURUIRLSA-N 2 2 394.563 3.556 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)Cc3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000651114115 917440565 /nfs/dbraw/zinc/44/05/65/917440565.db2.gz OJMPQUWWFQTSFJ-KDURUIRLSA-N 2 2 394.563 3.556 20 0 GHADLP Cc1ccc(N2CCC(c3nc(-c4ccc(C[NH+](C)C)cc4)no3)CC2)[nH+]c1 ZINC000362850188 917462334 /nfs/dbraw/zinc/46/23/34/917462334.db2.gz GPLCPDPXHBFRFF-UHFFFAOYSA-N 2 2 377.492 3.886 20 0 GHADLP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000297428809 919325657 /nfs/dbraw/zinc/32/56/57/919325657.db2.gz ZMLONQTWYSWAJS-PWHSHALESA-N 2 2 398.595 3.521 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000364312413 919331349 /nfs/dbraw/zinc/33/13/49/919331349.db2.gz YCPDCXLPZMNMIQ-GOSISDBHSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000364312413 919331365 /nfs/dbraw/zinc/33/13/65/919331365.db2.gz YCPDCXLPZMNMIQ-GOSISDBHSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000364312413 919331381 /nfs/dbraw/zinc/33/13/81/919331381.db2.gz YCPDCXLPZMNMIQ-GOSISDBHSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000364312413 919331397 /nfs/dbraw/zinc/33/13/97/919331397.db2.gz YCPDCXLPZMNMIQ-GOSISDBHSA-N 2 2 395.551 3.731 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)[NH+]2CCCC2)cc1 ZINC000365421235 920767093 /nfs/dbraw/zinc/76/70/93/920767093.db2.gz IVJYHEYNKJLSES-OAQYLSRUSA-N 2 2 395.551 3.506 20 0 GHADLP CC(C)(C)OC(=O)NCC1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000367530182 922176801 /nfs/dbraw/zinc/17/68/01/922176801.db2.gz BAMNSSTYAXIJLM-UHFFFAOYSA-N 2 2 388.556 3.724 20 0 GHADLP Cn1nc(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)cc1C(F)(F)F ZINC000902458445 922210732 /nfs/dbraw/zinc/21/07/32/922210732.db2.gz XEWXBXLRLRJDNU-HNNXBMFYSA-N 2 2 376.373 3.677 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C(F)(F)F)cn1 ZINC000902752204 922464600 /nfs/dbraw/zinc/46/46/00/922464600.db2.gz ICBLPYKQLVNPQD-HNNXBMFYSA-N 2 2 379.426 3.783 20 0 GHADLP COCCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)cc1 ZINC000368105849 922476732 /nfs/dbraw/zinc/47/67/32/922476732.db2.gz XPBZTKKHJOKDOP-HOTGVXAUSA-N 2 2 378.314 3.787 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](c2ccccc2F)C2CCOCC2)cn1 ZINC000903075192 922750581 /nfs/dbraw/zinc/75/05/81/922750581.db2.gz RJEGCWUKHSNZMH-QFIPXVFZSA-N 2 2 380.467 3.972 20 0 GHADLP C[N@@H+]1CCC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090823 923104461 /nfs/dbraw/zinc/10/44/61/923104461.db2.gz GQSQPAMBPVQAJC-BEFAXECRSA-N 2 2 394.441 3.560 20 0 GHADLP C[N@H+]1CCC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090823 923104472 /nfs/dbraw/zinc/10/44/72/923104472.db2.gz GQSQPAMBPVQAJC-BEFAXECRSA-N 2 2 394.441 3.560 20 0 GHADLP C[N@@H+]1CCC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090823 923104479 /nfs/dbraw/zinc/10/44/79/923104479.db2.gz GQSQPAMBPVQAJC-BEFAXECRSA-N 2 2 394.441 3.560 20 0 GHADLP C[N@H+]1CCC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090823 923104487 /nfs/dbraw/zinc/10/44/87/923104487.db2.gz GQSQPAMBPVQAJC-BEFAXECRSA-N 2 2 394.441 3.560 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000369443020 923342993 /nfs/dbraw/zinc/34/29/93/923342993.db2.gz MQQRYZVWNYIMOC-IBGZPJMESA-N 2 2 388.943 3.595 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000369443020 923343011 /nfs/dbraw/zinc/34/30/11/923343011.db2.gz MQQRYZVWNYIMOC-IBGZPJMESA-N 2 2 388.943 3.595 20 0 GHADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1Cl ZINC000369470865 923359115 /nfs/dbraw/zinc/35/91/15/923359115.db2.gz XHUZDTKPJKVGGR-KBPBESRZSA-N 2 2 399.366 3.522 20 0 GHADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1Cl ZINC000369470865 923359123 /nfs/dbraw/zinc/35/91/23/923359123.db2.gz XHUZDTKPJKVGGR-KBPBESRZSA-N 2 2 399.366 3.522 20 0 GHADLP CC[N@@H+]1CCN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)C[C@H]1C ZINC000677152449 924261101 /nfs/dbraw/zinc/26/11/01/924261101.db2.gz CPKIFUSLVNUDIZ-MRXNPFEDSA-N 2 2 395.576 3.950 20 0 GHADLP CC[N@H+]1CCN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)C[C@H]1C ZINC000677152449 924261109 /nfs/dbraw/zinc/26/11/09/924261109.db2.gz CPKIFUSLVNUDIZ-MRXNPFEDSA-N 2 2 395.576 3.950 20 0 GHADLP CC1(C)C[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000677806158 924505712 /nfs/dbraw/zinc/50/57/12/924505712.db2.gz VXJOOKQHEHUXLH-NRFANRHFSA-N 2 2 381.520 3.527 20 0 GHADLP CC1(C)C[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000677806158 924505714 /nfs/dbraw/zinc/50/57/14/924505714.db2.gz VXJOOKQHEHUXLH-NRFANRHFSA-N 2 2 381.520 3.527 20 0 GHADLP C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000678767868 924915613 /nfs/dbraw/zinc/91/56/13/924915613.db2.gz ROJQXGHPSQXUBH-CYFREDJKSA-N 2 2 380.532 3.811 20 0 GHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679116195 925033723 /nfs/dbraw/zinc/03/37/23/925033723.db2.gz OSMYABDEUYIFHY-GBESFXJTSA-N 2 2 381.923 3.603 20 0 GHADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679116195 925033733 /nfs/dbraw/zinc/03/37/33/925033733.db2.gz OSMYABDEUYIFHY-GBESFXJTSA-N 2 2 381.923 3.603 20 0 GHADLP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679116195 925033744 /nfs/dbraw/zinc/03/37/44/925033744.db2.gz OSMYABDEUYIFHY-GBESFXJTSA-N 2 2 381.923 3.603 20 0 GHADLP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679116195 925033755 /nfs/dbraw/zinc/03/37/55/925033755.db2.gz OSMYABDEUYIFHY-GBESFXJTSA-N 2 2 381.923 3.603 20 0 GHADLP Brc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]2CCCO2)cc1 ZINC000679330832 925097318 /nfs/dbraw/zinc/09/73/18/925097318.db2.gz UOVULOZKDPXLFZ-MOPGFXCFSA-N 2 2 379.342 3.886 20 0 GHADLP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000372238848 925270070 /nfs/dbraw/zinc/27/00/70/925270070.db2.gz ZEQOGQFWEUQJPX-OAQYLSRUSA-N 2 2 384.499 3.549 20 0 GHADLP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000372238848 925270077 /nfs/dbraw/zinc/27/00/77/925270077.db2.gz ZEQOGQFWEUQJPX-OAQYLSRUSA-N 2 2 384.499 3.549 20 0 GHADLP O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(F)(F)F ZINC000680120735 925371046 /nfs/dbraw/zinc/37/10/46/925371046.db2.gz IXHDBTUXZBSPKR-IAGOWNOFSA-N 2 2 381.423 3.558 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCCNc1cccc[nH+]1 ZINC000410355220 925559332 /nfs/dbraw/zinc/55/93/32/925559332.db2.gz QFTRUABWLQGBAK-LJQANCHMSA-N 2 2 395.551 3.757 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCCNc1cccc[nH+]1 ZINC000410355220 925559340 /nfs/dbraw/zinc/55/93/40/925559340.db2.gz QFTRUABWLQGBAK-LJQANCHMSA-N 2 2 395.551 3.757 20 0 GHADLP CN(C(=O)N[C@H]1CCC(C)(C)c2ccccc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681214966 925763793 /nfs/dbraw/zinc/76/37/93/925763793.db2.gz LQJFAGJZEYSXLP-KNQAVFIVSA-N 2 2 398.595 3.609 20 0 GHADLP CN(C(=O)N[C@H]1CCC(C)(C)c2ccccc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681214966 925763801 /nfs/dbraw/zinc/76/38/01/925763801.db2.gz LQJFAGJZEYSXLP-KNQAVFIVSA-N 2 2 398.595 3.609 20 0 GHADLP CCC[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000681215220 925763858 /nfs/dbraw/zinc/76/38/58/925763858.db2.gz HHVWJTFLARXWTD-LEWJYISDSA-N 2 2 378.605 3.545 20 0 GHADLP CCC[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000681215220 925763867 /nfs/dbraw/zinc/76/38/67/925763867.db2.gz HHVWJTFLARXWTD-LEWJYISDSA-N 2 2 378.605 3.545 20 0 GHADLP CC(C)(C)OC(=O)N1CCc2cc(C[NH+]3CCC([NH+]4CCC4)CC3)ccc2C1 ZINC001137447859 925819910 /nfs/dbraw/zinc/81/99/10/925819910.db2.gz FEZQUZRSNVTZIC-UHFFFAOYSA-N 2 2 385.552 3.650 20 0 GHADLP CN(C(=O)NC1CCC2(CCCCC2)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682488763 926134870 /nfs/dbraw/zinc/13/48/70/926134870.db2.gz YMGDIIMVYCSDRC-NRFANRHFSA-N 2 2 390.616 3.689 20 0 GHADLP CN(C(=O)NC1CCC2(CCCCC2)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682488763 926134873 /nfs/dbraw/zinc/13/48/73/926134873.db2.gz YMGDIIMVYCSDRC-NRFANRHFSA-N 2 2 390.616 3.689 20 0 GHADLP CC(=O)N1CC[C@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c2ccccc2C1 ZINC000373463770 926158456 /nfs/dbraw/zinc/15/84/56/926158456.db2.gz ALQQFQKWXNNGBR-LOSJGSFVSA-N 2 2 391.559 3.980 20 0 GHADLP CC(=O)N1CC[C@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c2ccccc2C1 ZINC000373463770 926158461 /nfs/dbraw/zinc/15/84/61/926158461.db2.gz ALQQFQKWXNNGBR-LOSJGSFVSA-N 2 2 391.559 3.980 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@H]1C ZINC000373482806 926178074 /nfs/dbraw/zinc/17/80/74/926178074.db2.gz IDPIJGZPVWLIHA-WZJUOUGFSA-N 2 2 390.490 3.749 20 0 GHADLP O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411381718 926346631 /nfs/dbraw/zinc/34/66/31/926346631.db2.gz SKOIYAJMJLDSGK-LJQANCHMSA-N 2 2 384.549 3.732 20 0 GHADLP O=C(Nc1nccs1)[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411381718 926346636 /nfs/dbraw/zinc/34/66/36/926346636.db2.gz SKOIYAJMJLDSGK-LJQANCHMSA-N 2 2 384.549 3.732 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1C ZINC000726249866 926611175 /nfs/dbraw/zinc/61/11/75/926611175.db2.gz NNETXCYAIQDBSS-NRFANRHFSA-N 2 2 396.535 3.652 20 0 GHADLP Cc1noc([C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C2CCOCC2)n1 ZINC000411707138 926670963 /nfs/dbraw/zinc/67/09/63/926670963.db2.gz DRWGBXXKIARHDK-OAQYLSRUSA-N 2 2 384.524 3.621 20 0 GHADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000374133984 926810941 /nfs/dbraw/zinc/81/09/41/926810941.db2.gz SBLSVTGHLVZNLE-JOCHJYFZSA-N 2 2 388.515 3.526 20 0 GHADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000374133984 926810946 /nfs/dbraw/zinc/81/09/46/926810946.db2.gz SBLSVTGHLVZNLE-JOCHJYFZSA-N 2 2 388.515 3.526 20 0 GHADLP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374308078 927004709 /nfs/dbraw/zinc/00/47/09/927004709.db2.gz VHELQNDFGKPXBR-MOPGFXCFSA-N 2 2 384.568 3.580 20 0 GHADLP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374308078 927004725 /nfs/dbraw/zinc/00/47/25/927004725.db2.gz VHELQNDFGKPXBR-MOPGFXCFSA-N 2 2 384.568 3.580 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc2c(c1)CCCC2 ZINC000467140356 928747533 /nfs/dbraw/zinc/74/75/33/928747533.db2.gz XFGLZTMTENWIBM-IRXDYDNUSA-N 2 2 380.536 3.734 20 0 GHADLP OC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Br)cc1 ZINC000544178959 928894382 /nfs/dbraw/zinc/89/43/82/928894382.db2.gz JEZUOBWYZLUKBK-INIZCTEOSA-N 2 2 378.295 3.520 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1nc(C(F)(F)F)cs1 ZINC000467633609 929258958 /nfs/dbraw/zinc/25/89/58/929258958.db2.gz PXJHKFUVKQXYOU-CJNGLKHVSA-N 2 2 399.482 3.969 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1nc(C(F)(F)F)cs1 ZINC000467633609 929258962 /nfs/dbraw/zinc/25/89/62/929258962.db2.gz PXJHKFUVKQXYOU-CJNGLKHVSA-N 2 2 399.482 3.969 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1C ZINC000753807572 929543795 /nfs/dbraw/zinc/54/37/95/929543795.db2.gz GXNJCQKTYSMNLX-UHFFFAOYSA-N 2 2 381.520 3.626 20 0 GHADLP FC(F)C(F)(F)COCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000469725293 930113117 /nfs/dbraw/zinc/11/31/17/930113117.db2.gz MIXSLINHDKYKEP-MSOLQXFVSA-N 2 2 388.449 3.890 20 0 GHADLP FC(F)C(F)(F)COCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000469725293 930113123 /nfs/dbraw/zinc/11/31/23/930113123.db2.gz MIXSLINHDKYKEP-MSOLQXFVSA-N 2 2 388.449 3.890 20 0 GHADLP FC(F)C(F)(F)COCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000469725293 930113127 /nfs/dbraw/zinc/11/31/27/930113127.db2.gz MIXSLINHDKYKEP-MSOLQXFVSA-N 2 2 388.449 3.890 20 0 GHADLP FC(F)C(F)(F)COCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000469725293 930113130 /nfs/dbraw/zinc/11/31/30/930113130.db2.gz MIXSLINHDKYKEP-MSOLQXFVSA-N 2 2 388.449 3.890 20 0 GHADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000469774785 930153560 /nfs/dbraw/zinc/15/35/60/930153560.db2.gz HVBJGCSZUSTWGT-YTFSRNRJSA-N 2 2 386.580 3.633 20 0 GHADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000469774785 930153567 /nfs/dbraw/zinc/15/35/67/930153567.db2.gz HVBJGCSZUSTWGT-YTFSRNRJSA-N 2 2 386.580 3.633 20 0 GHADLP C[C@@H]1CCN(C(=O)NCCCCCCC[NH+]2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000759583127 930412460 /nfs/dbraw/zinc/41/24/60/930412460.db2.gz HRIOIWHMPCVFIT-UXHICEINSA-N 2 2 375.561 3.522 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2=O)cc1 ZINC000781518682 930876406 /nfs/dbraw/zinc/87/64/06/930876406.db2.gz RBDUDSXVWAJHKQ-NWSQWKLXSA-N 2 2 377.532 3.743 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2=O)cc1 ZINC000781518682 930876412 /nfs/dbraw/zinc/87/64/12/930876412.db2.gz RBDUDSXVWAJHKQ-NWSQWKLXSA-N 2 2 377.532 3.743 20 0 GHADLP Cc1ccccc1[C@H]1CC(=O)N(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000782943222 931371114 /nfs/dbraw/zinc/37/11/14/931371114.db2.gz QIHLYORBFAPJNU-NRFANRHFSA-N 2 2 380.536 3.657 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)c1ccccc1Cl ZINC000557434536 931423980 /nfs/dbraw/zinc/42/39/80/931423980.db2.gz ZTSBGDKWUUKAMB-JXFKEZNVSA-N 2 2 388.943 3.607 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cn2c(n1)CCCC2 ZINC000924611632 931445089 /nfs/dbraw/zinc/44/50/89/931445089.db2.gz ZFBUMRCAVZHXHE-OTWHNJEPSA-N 2 2 382.552 3.679 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cn2c(n1)CCCC2 ZINC000924611632 931445093 /nfs/dbraw/zinc/44/50/93/931445093.db2.gz ZFBUMRCAVZHXHE-OTWHNJEPSA-N 2 2 382.552 3.679 20 0 GHADLP Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1 ZINC000557468817 931453195 /nfs/dbraw/zinc/45/31/95/931453195.db2.gz NKNGPIAFYKIPFX-KRWDZBQOSA-N 2 2 386.565 3.973 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c2ncnn21 ZINC000924942012 931591156 /nfs/dbraw/zinc/59/11/56/931591156.db2.gz SIEUSKGNAMPWLV-VGSWGCGISA-N 2 2 384.487 3.986 20 0 GHADLP CCc1ccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2cccnc2)cc1 ZINC000925057163 931628567 /nfs/dbraw/zinc/62/85/67/931628567.db2.gz NWOYNEXTLGDTQM-ZEQRLZLVSA-N 2 2 379.548 3.966 20 0 GHADLP C[C@@H]([NH2+]Cc1nnc2n1CCC[C@@H]2C(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000925173009 931689501 /nfs/dbraw/zinc/68/95/01/931689501.db2.gz WKFXRHZCPAEYOO-CJNGLKHVSA-N 2 2 381.446 3.630 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3cc(O)cc(F)c3)CC2)cc1 ZINC000926527248 932216978 /nfs/dbraw/zinc/21/69/78/932216978.db2.gz IICZZODJSYGYDC-OAHLLOKOSA-N 2 2 385.483 3.805 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)C3(Br)CC3)CC2)cc1 ZINC000926528538 932217722 /nfs/dbraw/zinc/21/77/22/932217722.db2.gz RIWMKEGGFNWQEK-CQSZACIVSA-N 2 2 394.357 3.515 20 0 GHADLP Clc1cccc(N2CCOCC2)c1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000559242772 932543456 /nfs/dbraw/zinc/54/34/56/932543456.db2.gz BZQFVGPZQYIMLS-UHFFFAOYSA-N 2 2 396.922 3.711 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000798949085 932833271 /nfs/dbraw/zinc/83/32/71/932833271.db2.gz JDEAIJBNNUUFFH-AUSIDOKSSA-N 2 2 398.551 3.941 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)c1OC ZINC000560536623 933323304 /nfs/dbraw/zinc/32/33/04/933323304.db2.gz OOKDWDQDXIWUME-TZIWHRDSSA-N 2 2 398.547 3.954 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)c1OC ZINC000560536623 933323321 /nfs/dbraw/zinc/32/33/21/933323321.db2.gz OOKDWDQDXIWUME-TZIWHRDSSA-N 2 2 398.547 3.954 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC001116304917 933469255 /nfs/dbraw/zinc/46/92/55/933469255.db2.gz SFDOQLYUIYJTJR-YADHBBJMSA-N 2 2 394.563 3.564 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC001116304917 933469262 /nfs/dbraw/zinc/46/92/62/933469262.db2.gz SFDOQLYUIYJTJR-YADHBBJMSA-N 2 2 394.563 3.564 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC001116396518 933533865 /nfs/dbraw/zinc/53/38/65/933533865.db2.gz FLQNASSBVFLYFZ-IBGZPJMESA-N 2 2 388.515 3.980 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC001116396518 933533876 /nfs/dbraw/zinc/53/38/76/933533876.db2.gz FLQNASSBVFLYFZ-IBGZPJMESA-N 2 2 388.515 3.980 20 0 GHADLP C[N@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929794462 933636863 /nfs/dbraw/zinc/63/68/63/933636863.db2.gz HJFQPCQJJFOOCI-OALUTQOASA-N 2 2 385.474 3.520 20 0 GHADLP C[N@@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929794462 933636866 /nfs/dbraw/zinc/63/68/66/933636866.db2.gz HJFQPCQJJFOOCI-OALUTQOASA-N 2 2 385.474 3.520 20 0 GHADLP C[NH+](C)C1CCC(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000561478435 934200730 /nfs/dbraw/zinc/20/07/30/934200730.db2.gz QLQSRAOIOWWRAT-UHFFFAOYSA-N 2 2 379.508 3.596 20 0 GHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000561782263 934450745 /nfs/dbraw/zinc/45/07/45/934450745.db2.gz MLQQLJYTFWOMPW-UELCKLHCSA-N 2 2 394.563 3.527 20 0 GHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000561782263 934450746 /nfs/dbraw/zinc/45/07/46/934450746.db2.gz MLQQLJYTFWOMPW-UELCKLHCSA-N 2 2 394.563 3.527 20 0 GHADLP CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000562089265 934688410 /nfs/dbraw/zinc/68/84/10/934688410.db2.gz SPLBDICHFBONOX-KRWDZBQOSA-N 2 2 381.524 3.844 20 0 GHADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000562089265 934688411 /nfs/dbraw/zinc/68/84/11/934688411.db2.gz SPLBDICHFBONOX-KRWDZBQOSA-N 2 2 381.524 3.844 20 0 GHADLP Clc1ncsc1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001137818697 935806579 /nfs/dbraw/zinc/80/65/79/935806579.db2.gz TYCZFWROPWPHPK-UHFFFAOYSA-N 2 2 383.970 3.725 20 0 GHADLP Clc1ncsc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001137818697 935806582 /nfs/dbraw/zinc/80/65/82/935806582.db2.gz TYCZFWROPWPHPK-UHFFFAOYSA-N 2 2 383.970 3.725 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2-c2nn[nH]n2)C1 ZINC001573893861 950907812 /nfs/dbraw/zinc/90/78/12/950907812.db2.gz ZRKCUEOAPYMQEC-OAHLLOKOSA-N 2 2 399.930 3.851 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2-c2nn[nH]n2)C1 ZINC001573893861 950907822 /nfs/dbraw/zinc/90/78/22/950907822.db2.gz ZRKCUEOAPYMQEC-OAHLLOKOSA-N 2 2 399.930 3.851 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1Cl ZINC001221398113 1032396087 /nfs/dbraw/zinc/39/60/87/1032396087.db2.gz SQVJTIUCRWCUEN-RXVVDRJESA-N 2 2 385.939 3.554 20 0 GHADLP F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155064455 1032400244 /nfs/dbraw/zinc/40/02/44/1032400244.db2.gz QWVDIKVHBUOYKR-LJQANCHMSA-N 2 2 387.846 3.965 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001204158489 1032609450 /nfs/dbraw/zinc/60/94/50/1032609450.db2.gz UOECOBRKXSIJLY-UHFFFAOYSA-N 2 2 398.469 3.945 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC001204224155 1032670564 /nfs/dbraw/zinc/67/05/64/1032670564.db2.gz NLRMDKRXSJBXFB-IBGZPJMESA-N 2 2 387.474 3.615 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1-n1cccn1 ZINC000560162483 1017563641 /nfs/dbraw/zinc/56/36/41/1017563641.db2.gz BSHHULSGPLWGTQ-UNMCSNQZSA-N 2 2 390.531 3.814 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1-n1cccn1 ZINC000560162483 1017563654 /nfs/dbraw/zinc/56/36/54/1017563654.db2.gz BSHHULSGPLWGTQ-UNMCSNQZSA-N 2 2 390.531 3.814 20 0 GHADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000562064705 1018023988 /nfs/dbraw/zinc/02/39/88/1018023988.db2.gz LOOJRAFXVGMCMG-WZONZLPQSA-N 2 2 375.520 3.829 20 0 GHADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000562064705 1018023997 /nfs/dbraw/zinc/02/39/97/1018023997.db2.gz LOOJRAFXVGMCMG-WZONZLPQSA-N 2 2 375.520 3.829 20 0 GHADLP CCCOc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)OCC)C3)CC2)cc1 ZINC001204304049 1032744454 /nfs/dbraw/zinc/74/44/54/1032744454.db2.gz AVFWOTFHMSZYEB-FQEVSTJZSA-N 2 2 388.552 3.715 20 0 GHADLP CCCOc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)OCC)C3)CC2)cc1 ZINC001204304049 1032744467 /nfs/dbraw/zinc/74/44/67/1032744467.db2.gz AVFWOTFHMSZYEB-FQEVSTJZSA-N 2 2 388.552 3.715 20 0 GHADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[NH+](Cc4ccsc4)CC3)ccc21 ZINC000562622486 1018421292 /nfs/dbraw/zinc/42/12/92/1018421292.db2.gz DIFVCPBVRHILEO-FQEVSTJZSA-N 2 2 384.549 3.647 20 0 GHADLP Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932622996 1018538725 /nfs/dbraw/zinc/53/87/25/1018538725.db2.gz TWFAHWHTLCRSRO-IBGZPJMESA-N 2 2 377.532 3.560 20 0 GHADLP Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932622996 1018538733 /nfs/dbraw/zinc/53/87/33/1018538733.db2.gz TWFAHWHTLCRSRO-IBGZPJMESA-N 2 2 377.532 3.560 20 0 GHADLP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000563752424 1018951078 /nfs/dbraw/zinc/95/10/78/1018951078.db2.gz GQPDDBOTQTZGQP-NNWRFLSQSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000563752424 1018951080 /nfs/dbraw/zinc/95/10/80/1018951080.db2.gz GQPDDBOTQTZGQP-NNWRFLSQSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1ccccc1NC(=O)[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000563752424 1018951082 /nfs/dbraw/zinc/95/10/82/1018951082.db2.gz GQPDDBOTQTZGQP-NNWRFLSQSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1ccccc1NC(=O)[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000563752424 1018951086 /nfs/dbraw/zinc/95/10/86/1018951086.db2.gz GQPDDBOTQTZGQP-NNWRFLSQSA-N 2 2 377.532 3.776 20 0 GHADLP O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000935714358 1019036541 /nfs/dbraw/zinc/03/65/41/1019036541.db2.gz HSJGBLWLCAEZGC-UHFFFAOYSA-N 2 2 396.535 3.818 20 0 GHADLP C[NH+](C)[C@H](C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)c1ccc(Cl)cc1 ZINC000565159989 1019170309 /nfs/dbraw/zinc/17/03/09/1019170309.db2.gz AVAAPBAZWKGBSF-OALUTQOASA-N 2 2 387.911 3.967 20 0 GHADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1ccc(C(C)(C)C)cc1)CCC2 ZINC001204396832 1032820882 /nfs/dbraw/zinc/82/08/82/1032820882.db2.gz UETDUIYJUKOPDR-UHFFFAOYSA-N 2 2 396.579 3.789 20 0 GHADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](Cc1ccc(C(C)(C)C)cc1)CCC2 ZINC001204396832 1032820888 /nfs/dbraw/zinc/82/08/88/1032820888.db2.gz UETDUIYJUKOPDR-UHFFFAOYSA-N 2 2 396.579 3.789 20 0 GHADLP C[C@@H]1C[C@H](CC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000574235184 1019857764 /nfs/dbraw/zinc/85/77/64/1019857764.db2.gz BRAVWLZMQPEWIP-CBQOVEMMSA-N 2 2 375.520 3.784 20 0 GHADLP C[C@@H]1C[C@H](CC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000574235184 1019857790 /nfs/dbraw/zinc/85/77/90/1019857790.db2.gz BRAVWLZMQPEWIP-CBQOVEMMSA-N 2 2 375.520 3.784 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000576594041 1020040943 /nfs/dbraw/zinc/04/09/43/1020040943.db2.gz BOQONRHYZOESEP-CTNGQTDRSA-N 2 2 394.563 3.871 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000576594041 1020040956 /nfs/dbraw/zinc/04/09/56/1020040956.db2.gz BOQONRHYZOESEP-CTNGQTDRSA-N 2 2 394.563 3.871 20 0 GHADLP C[NH+](C)C1(CNC(F)(F)c2cccc3ccnc(Cl)c32)CC[NH+](C)CC1 ZINC001156184860 1032915605 /nfs/dbraw/zinc/91/56/05/1032915605.db2.gz GKNFERAPGNGIOX-UHFFFAOYSA-N 2 2 382.886 3.553 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000834808128 1021502508 /nfs/dbraw/zinc/50/25/08/1021502508.db2.gz XFEKJUGXSQTGTM-YYWHXJBOSA-N 2 2 396.535 3.997 20 0 GHADLP CCc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000834885601 1021612372 /nfs/dbraw/zinc/61/23/72/1021612372.db2.gz BWWMSVBWOBRHHN-OAHLLOKOSA-N 2 2 384.524 3.819 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)C1 ZINC001203035048 1021648640 /nfs/dbraw/zinc/64/86/40/1021648640.db2.gz PHVLJJGNRAKGDS-OAQYLSRUSA-N 2 2 399.579 3.739 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)C1 ZINC001203035048 1021648649 /nfs/dbraw/zinc/64/86/49/1021648649.db2.gz PHVLJJGNRAKGDS-OAQYLSRUSA-N 2 2 399.579 3.739 20 0 GHADLP Cc1ccc(Cl)nc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001140444088 1021728876 /nfs/dbraw/zinc/72/88/76/1021728876.db2.gz AZMUDTRJEKUBFW-UHFFFAOYSA-N 2 2 375.900 3.503 20 0 GHADLP Cc1ccc(Cl)nc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001140444088 1021728884 /nfs/dbraw/zinc/72/88/84/1021728884.db2.gz AZMUDTRJEKUBFW-UHFFFAOYSA-N 2 2 375.900 3.503 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(Cl)cc1Br)CC2 ZINC001140484730 1021793186 /nfs/dbraw/zinc/79/31/86/1021793186.db2.gz BDXSAJNBYOORAX-UHFFFAOYSA-N 2 2 386.721 3.733 20 0 GHADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc(OC(F)F)c(O)c4)C[C@@H]3C2)cc1 ZINC001140626150 1022104565 /nfs/dbraw/zinc/10/45/65/1022104565.db2.gz QZCDFQFXGCMYNI-KDURUIRLSA-N 2 2 388.458 3.866 20 0 GHADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(OC(F)F)c(O)c4)C[C@@H]3C2)cc1 ZINC001140626150 1022104579 /nfs/dbraw/zinc/10/45/79/1022104579.db2.gz QZCDFQFXGCMYNI-KDURUIRLSA-N 2 2 388.458 3.866 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(OC(F)F)c(O)c4)C[C@@H]3C2)cc1 ZINC001140626150 1022104587 /nfs/dbraw/zinc/10/45/87/1022104587.db2.gz QZCDFQFXGCMYNI-KDURUIRLSA-N 2 2 388.458 3.866 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc(OC(F)F)c(O)c4)C[C@@H]3C2)cc1 ZINC001140626150 1022104595 /nfs/dbraw/zinc/10/45/95/1022104595.db2.gz QZCDFQFXGCMYNI-KDURUIRLSA-N 2 2 388.458 3.866 20 0 GHADLP CCCCC[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755054304 1023048509 /nfs/dbraw/zinc/04/85/09/1023048509.db2.gz SALHMTPQYCLOHA-CEWLAPEOSA-N 2 2 380.621 3.934 20 0 GHADLP CCCCC[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755054304 1023048530 /nfs/dbraw/zinc/04/85/30/1023048530.db2.gz SALHMTPQYCLOHA-CEWLAPEOSA-N 2 2 380.621 3.934 20 0 GHADLP CC[NH+]1CCC(CC2CC[NH+](Cc3nn(C)cc3Br)CC2)CC1 ZINC001141060540 1023407665 /nfs/dbraw/zinc/40/76/65/1023407665.db2.gz OOJCKSHXEJVPGG-UHFFFAOYSA-N 2 2 383.378 3.517 20 0 GHADLP [NH3+]CC1(N(Cc2ccccc2)c2[nH+]c(N3CCCC3)cc3ccccc32)COC1 ZINC001156635864 1033146475 /nfs/dbraw/zinc/14/64/75/1033146475.db2.gz LVKHEPLKOGOKFO-UHFFFAOYSA-N 2 2 388.515 3.569 20 0 GHADLP COc1ccsc1C[NH+]1CCC2(CCC[N@@H+]2Cc2c(C)noc2C)CC1 ZINC001141321076 1024538935 /nfs/dbraw/zinc/53/89/35/1024538935.db2.gz UEJFENUOIOWPQR-UHFFFAOYSA-N 2 2 375.538 3.992 20 0 GHADLP COc1ccsc1C[NH+]1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001141321076 1024538944 /nfs/dbraw/zinc/53/89/44/1024538944.db2.gz UEJFENUOIOWPQR-UHFFFAOYSA-N 2 2 375.538 3.992 20 0 GHADLP Cc1c(C[NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)[nH]c2ccccc21 ZINC001138398928 1024778079 /nfs/dbraw/zinc/77/80/79/1024778079.db2.gz RPEBEENBWCEZEW-UHFFFAOYSA-N 2 2 376.504 3.743 20 0 GHADLP CCOc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c(C)c1 ZINC001138432776 1024834140 /nfs/dbraw/zinc/83/41/40/1024834140.db2.gz UKBBKIFAPOEZQY-UHFFFAOYSA-N 2 2 384.520 3.854 20 0 GHADLP CCOc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c(C)c1 ZINC001138432776 1024834161 /nfs/dbraw/zinc/83/41/61/1024834161.db2.gz UKBBKIFAPOEZQY-UHFFFAOYSA-N 2 2 384.520 3.854 20 0 GHADLP CCC(CC)[N@H+](Cc1c(C)[nH]c(=O)[nH]c1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001138470380 1024898118 /nfs/dbraw/zinc/89/81/18/1024898118.db2.gz ZHVAMVMWYABMMQ-UHFFFAOYSA-N 2 2 398.551 3.851 20 0 GHADLP CCC(CC)[N@@H+](Cc1c(C)[nH]c(=O)[nH]c1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001138470380 1024898128 /nfs/dbraw/zinc/89/81/28/1024898128.db2.gz ZHVAMVMWYABMMQ-UHFFFAOYSA-N 2 2 398.551 3.851 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001138544551 1024988084 /nfs/dbraw/zinc/98/80/84/1024988084.db2.gz LFGVSDJMKHXWKT-WOJBJXKFSA-N 3 2 378.545 3.806 20 0 GHADLP Cc1cccc(C[NH+]2CCC([N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c1C ZINC001205103926 1033252694 /nfs/dbraw/zinc/25/26/94/1033252694.db2.gz ZKWVCDDFAMSQOT-HXUWFJFHSA-N 2 2 387.568 3.867 20 0 GHADLP Cc1cccc(C[NH+]2CCC([N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c1C ZINC001205103926 1033252699 /nfs/dbraw/zinc/25/26/99/1033252699.db2.gz ZKWVCDDFAMSQOT-HXUWFJFHSA-N 2 2 387.568 3.867 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)ccc1OC(F)F ZINC001138552398 1025007811 /nfs/dbraw/zinc/00/78/11/1025007811.db2.gz CZWFVSXUKYXFKT-NRFANRHFSA-N 2 2 398.494 3.619 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)ccc1OC(F)F ZINC001138552398 1025007822 /nfs/dbraw/zinc/00/78/22/1025007822.db2.gz CZWFVSXUKYXFKT-NRFANRHFSA-N 2 2 398.494 3.619 20 0 GHADLP COc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)ccc1OC(F)F ZINC001138552398 1025007832 /nfs/dbraw/zinc/00/78/32/1025007832.db2.gz CZWFVSXUKYXFKT-NRFANRHFSA-N 2 2 398.494 3.619 20 0 GHADLP COc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)ccc1OC(F)F ZINC001138552398 1025007844 /nfs/dbraw/zinc/00/78/44/1025007844.db2.gz CZWFVSXUKYXFKT-NRFANRHFSA-N 2 2 398.494 3.619 20 0 GHADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC001202859907 1025262069 /nfs/dbraw/zinc/26/20/69/1025262069.db2.gz KRVBKJMYJQKKPS-UYAOXDASSA-N 2 2 385.577 3.649 20 0 GHADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC001202859907 1025262081 /nfs/dbraw/zinc/26/20/81/1025262081.db2.gz KRVBKJMYJQKKPS-UYAOXDASSA-N 2 2 385.577 3.649 20 0 GHADLP CCCN(CCC)c1cc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)nc[nH+]1 ZINC001162197023 1025663206 /nfs/dbraw/zinc/66/32/06/1025663206.db2.gz HHKSTDVMKVVOFJ-MXVIHJGJSA-N 2 2 382.556 3.775 20 0 GHADLP CCCN(CCC)c1cc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)[nH+]cn1 ZINC001162197023 1025663218 /nfs/dbraw/zinc/66/32/18/1025663218.db2.gz HHKSTDVMKVVOFJ-MXVIHJGJSA-N 2 2 382.556 3.775 20 0 GHADLP CCOC(=O)Cc1ccc[nH+]c1N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001162232826 1025683475 /nfs/dbraw/zinc/68/34/75/1025683475.db2.gz DVMXCDWSIVOXAW-HXUWFJFHSA-N 2 2 385.483 3.869 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)C1 ZINC000839190244 1025710523 /nfs/dbraw/zinc/71/05/23/1025710523.db2.gz YFBWIHSTUKZQJJ-OALUTQOASA-N 2 2 376.545 3.775 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)C1 ZINC000839190244 1025710539 /nfs/dbraw/zinc/71/05/39/1025710539.db2.gz YFBWIHSTUKZQJJ-OALUTQOASA-N 2 2 376.545 3.775 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)C1 ZINC000839190247 1025711167 /nfs/dbraw/zinc/71/11/67/1025711167.db2.gz YFBWIHSTUKZQJJ-RTBURBONSA-N 2 2 376.545 3.775 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)C1 ZINC000839190247 1025711185 /nfs/dbraw/zinc/71/11/85/1025711185.db2.gz YFBWIHSTUKZQJJ-RTBURBONSA-N 2 2 376.545 3.775 20 0 GHADLP c1ccc(CO[C@@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC001139058760 1025845991 /nfs/dbraw/zinc/84/59/91/1025845991.db2.gz AQULDJCMZVPLOS-XMMPIXPASA-N 2 2 380.532 3.700 20 0 GHADLP c1ccc(CO[C@@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC001139058760 1025846009 /nfs/dbraw/zinc/84/60/09/1025846009.db2.gz AQULDJCMZVPLOS-XMMPIXPASA-N 2 2 380.532 3.700 20 0 GHADLP COc1cc(Br)cnc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001139090747 1025904622 /nfs/dbraw/zinc/90/46/22/1025904622.db2.gz XMGVUFZYOMJCBF-UHFFFAOYSA-N 2 2 382.346 3.692 20 0 GHADLP COc1cc(Br)cnc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001139090747 1025904625 /nfs/dbraw/zinc/90/46/25/1025904625.db2.gz XMGVUFZYOMJCBF-UHFFFAOYSA-N 2 2 382.346 3.692 20 0 GHADLP COc1ccccc1[C@@H](Nc1cccc(N2CC[NH+](C)CC2)[nH+]1)C(F)(F)F ZINC001162903967 1025960559 /nfs/dbraw/zinc/96/05/59/1025960559.db2.gz UGFQBJBIKZPCMR-GOSISDBHSA-N 2 2 380.414 3.558 20 0 GHADLP FC(F)(F)Oc1ccc(-c2cc[nH+]c(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001163163448 1026072063 /nfs/dbraw/zinc/07/20/63/1026072063.db2.gz JXXKGFFVFDQQLK-NXHRZFHOSA-N 2 2 393.409 3.684 20 0 GHADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(OCc3cnc(Cl)s3)cc1)C2 ZINC001139305186 1026159227 /nfs/dbraw/zinc/15/92/27/1026159227.db2.gz FPDFTZMBCQDZEF-DNVCBOLYSA-N 2 2 377.941 3.759 20 0 GHADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(OCc3cnc(Cl)s3)cc1)C2 ZINC001139305186 1026159242 /nfs/dbraw/zinc/15/92/42/1026159242.db2.gz FPDFTZMBCQDZEF-DNVCBOLYSA-N 2 2 377.941 3.759 20 0 GHADLP COc1ccc([C@H](O)C[N@H+](CCc2c[nH+]cn2C)[C@H](C)Cc2ccccc2)cc1 ZINC000839646558 1026160624 /nfs/dbraw/zinc/16/06/24/1026160624.db2.gz JQCVMTOKWDBUCB-NTKDMRAZSA-N 2 2 393.531 3.638 20 0 GHADLP COc1ccc([C@H](O)C[N@@H+](CCc2c[nH+]cn2C)[C@H](C)Cc2ccccc2)cc1 ZINC000839646558 1026160629 /nfs/dbraw/zinc/16/06/29/1026160629.db2.gz JQCVMTOKWDBUCB-NTKDMRAZSA-N 2 2 393.531 3.638 20 0 GHADLP COc1cccc([C@H]2CCCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)s2)c1 ZINC001139324875 1026185110 /nfs/dbraw/zinc/18/51/10/1026185110.db2.gz SDZQQICYRPEJFL-HXUWFJFHSA-N 2 2 386.565 3.631 20 0 GHADLP COc1cccc([C@H]2CCCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)s2)c1 ZINC001139324875 1026185118 /nfs/dbraw/zinc/18/51/18/1026185118.db2.gz SDZQQICYRPEJFL-HXUWFJFHSA-N 2 2 386.565 3.631 20 0 GHADLP COC(=O)c1ccc([C@H]([NH3+])CNc2[nH+]c(N3CCCC3)cc3ccccc32)cc1 ZINC001163464784 1026203740 /nfs/dbraw/zinc/20/37/40/1026203740.db2.gz AOTBHQLLSDGWIE-HXUWFJFHSA-N 2 2 390.487 3.734 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001139358676 1026231612 /nfs/dbraw/zinc/23/16/12/1026231612.db2.gz UMIMBRKMXJBPJO-IEBWSBKVSA-N 2 2 384.524 3.855 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001139358676 1026231627 /nfs/dbraw/zinc/23/16/27/1026231627.db2.gz UMIMBRKMXJBPJO-IEBWSBKVSA-N 2 2 384.524 3.855 20 0 GHADLP Cc1[nH+]ccn1CC[NH2+]C1=CN2C=Cc3cc(Br)ccc3N2C=C1 ZINC001163929983 1026364167 /nfs/dbraw/zinc/36/41/67/1026364167.db2.gz XLATXAPROSLFKT-UHFFFAOYSA-N 2 2 384.281 3.620 20 0 GHADLP C[C@@H]1CC(=O)CC[N@@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139514648 1026371313 /nfs/dbraw/zinc/37/13/13/1026371313.db2.gz MHKCTPHRJPWGAP-HXUWFJFHSA-N 2 2 377.532 3.562 20 0 GHADLP C[C@@H]1CC(=O)CC[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139514648 1026371324 /nfs/dbraw/zinc/37/13/24/1026371324.db2.gz MHKCTPHRJPWGAP-HXUWFJFHSA-N 2 2 377.532 3.562 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccnc2Br)cc1F ZINC001461098341 1069388777 /nfs/dbraw/zinc/38/87/77/1069388777.db2.gz IRUMNORFTPJVJO-UHFFFAOYSA-N 2 2 375.245 3.767 20 0 GHADLP CCOc1ccc(C)cc1C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001139603015 1026467107 /nfs/dbraw/zinc/46/71/07/1026467107.db2.gz HPKYZWJETLJWAA-UHFFFAOYSA-N 2 2 382.552 3.758 20 0 GHADLP CCOc1ccc(C)cc1C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001139603015 1026467123 /nfs/dbraw/zinc/46/71/23/1026467123.db2.gz HPKYZWJETLJWAA-UHFFFAOYSA-N 2 2 382.552 3.758 20 0 GHADLP CCOc1ccncc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001139629202 1026495718 /nfs/dbraw/zinc/49/57/18/1026495718.db2.gz BXGPUZQMZSUKPH-NYVOZVTQSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ccncc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001139629202 1026495723 /nfs/dbraw/zinc/49/57/23/1026495723.db2.gz BXGPUZQMZSUKPH-NYVOZVTQSA-N 2 2 380.536 3.608 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnc4c(c3)OCCO4)C[C@H]21 ZINC001139735319 1026576819 /nfs/dbraw/zinc/57/68/19/1026576819.db2.gz XEWQQSSBNDYNMN-MISYRCLQSA-N 2 2 399.560 3.647 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnc4c(c3)OCCO4)C[C@H]21 ZINC001139735319 1026576827 /nfs/dbraw/zinc/57/68/27/1026576827.db2.gz XEWQQSSBNDYNMN-MISYRCLQSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc4c(c3)OCCO4)C[C@H]21 ZINC001139735319 1026576834 /nfs/dbraw/zinc/57/68/34/1026576834.db2.gz XEWQQSSBNDYNMN-MISYRCLQSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc4c(c3)OCCO4)C[C@H]21 ZINC001139735319 1026576840 /nfs/dbraw/zinc/57/68/40/1026576840.db2.gz XEWQQSSBNDYNMN-MISYRCLQSA-N 2 2 399.560 3.647 20 0 GHADLP CN(c1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21)C1C[NH2+]C1 ZINC001165126191 1026621059 /nfs/dbraw/zinc/62/10/59/1026621059.db2.gz FCTGOPYOOCHFPU-UHFFFAOYSA-N 2 2 399.589 3.814 20 0 GHADLP CCc1cccc(Oc2nc(Cl)ncc2-n2c(C)[nH+]c3c2CC[NH2+]CC3)c1 ZINC001165357242 1026711793 /nfs/dbraw/zinc/71/17/93/1026711793.db2.gz WPSIQGPOHGXBHA-UHFFFAOYSA-N 2 2 383.883 3.667 20 0 GHADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)c12 ZINC001165431553 1026726501 /nfs/dbraw/zinc/72/65/01/1026726501.db2.gz FUGNYGQUBSWMCP-OALUTQOASA-N 2 2 393.510 3.610 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001140021367 1026804814 /nfs/dbraw/zinc/80/48/14/1026804814.db2.gz KWSAWWJEZZPFHK-AZUAARDMSA-N 2 2 382.508 3.622 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001140021367 1026804822 /nfs/dbraw/zinc/80/48/22/1026804822.db2.gz KWSAWWJEZZPFHK-AZUAARDMSA-N 2 2 382.508 3.622 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001140027149 1026814553 /nfs/dbraw/zinc/81/45/53/1026814553.db2.gz AHSBFTNRDITJEK-APWZRJJASA-N 2 2 384.524 3.916 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001140027149 1026814555 /nfs/dbraw/zinc/81/45/55/1026814555.db2.gz AHSBFTNRDITJEK-APWZRJJASA-N 2 2 384.524 3.916 20 0 GHADLP Cc1c[nH+]c(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)nc1NC1CC1 ZINC001166569089 1027029502 /nfs/dbraw/zinc/02/95/02/1027029502.db2.gz PCQHYPHTGDPVQE-UHFFFAOYSA-N 2 2 394.910 3.888 20 0 GHADLP Clc1cccc([C@@H]2CCN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)C2)c1Cl ZINC001166896708 1027141359 /nfs/dbraw/zinc/14/13/59/1027141359.db2.gz XLUJVCGHJNKQTR-CQSZACIVSA-N 2 2 377.319 3.792 20 0 GHADLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC001203686502 1027530823 /nfs/dbraw/zinc/53/08/23/1027530823.db2.gz IIQSHTCDNIKYSQ-UYAOXDASSA-N 2 2 382.470 3.886 20 0 GHADLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC001203686502 1027530834 /nfs/dbraw/zinc/53/08/34/1027530834.db2.gz IIQSHTCDNIKYSQ-UYAOXDASSA-N 2 2 382.470 3.886 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC001203686502 1027530847 /nfs/dbraw/zinc/53/08/47/1027530847.db2.gz IIQSHTCDNIKYSQ-UYAOXDASSA-N 2 2 382.470 3.886 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC001203686502 1027530861 /nfs/dbraw/zinc/53/08/61/1027530861.db2.gz IIQSHTCDNIKYSQ-UYAOXDASSA-N 2 2 382.470 3.886 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1OC ZINC001203849832 1027655297 /nfs/dbraw/zinc/65/52/97/1027655297.db2.gz GNHRIWQWTUPKTH-SFTDATJTSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1OC ZINC001203849832 1027655309 /nfs/dbraw/zinc/65/53/09/1027655309.db2.gz GNHRIWQWTUPKTH-SFTDATJTSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1OC ZINC001203849832 1027655316 /nfs/dbraw/zinc/65/53/16/1027655316.db2.gz GNHRIWQWTUPKTH-SFTDATJTSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1OC ZINC001203849832 1027655324 /nfs/dbraw/zinc/65/53/24/1027655324.db2.gz GNHRIWQWTUPKTH-SFTDATJTSA-N 2 2 396.531 3.666 20 0 GHADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001204089478 1027867511 /nfs/dbraw/zinc/86/75/11/1027867511.db2.gz NWHAAIYTNAGMDL-MORSLUCNSA-N 2 2 379.335 3.917 20 0 GHADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001204089478 1027867529 /nfs/dbraw/zinc/86/75/29/1027867529.db2.gz NWHAAIYTNAGMDL-MORSLUCNSA-N 2 2 379.335 3.917 20 0 GHADLP C[C@H]([NH3+])c1ncc(-c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)s1 ZINC001213207749 1028045296 /nfs/dbraw/zinc/04/52/96/1028045296.db2.gz KYSQWNJZOQDKMN-ZUZCIYMTSA-N 2 2 396.451 3.751 20 0 GHADLP CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001461417870 1069541288 /nfs/dbraw/zinc/54/12/88/1069541288.db2.gz UTIHEEYNJGBCRO-IBGZPJMESA-N 2 2 379.932 3.748 20 0 GHADLP Cc1ccc(-c2nn(C)cc2C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)o1 ZINC000842685084 1029491124 /nfs/dbraw/zinc/49/11/24/1029491124.db2.gz ROZONVSNKVGVPF-UHFFFAOYSA-N 2 2 393.535 3.813 20 0 GHADLP CCCCCCOc1cccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000843119333 1029815480 /nfs/dbraw/zinc/81/54/80/1029815480.db2.gz YRNNBWIHAZFKER-UHFFFAOYSA-N 2 2 397.567 3.720 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3scc4c3OCCO4)C[C@H]21 ZINC001143187420 1029892065 /nfs/dbraw/zinc/89/20/65/1029892065.db2.gz RGONPYIIIHUOAJ-QXAKKESOSA-N 2 2 399.560 3.647 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3scc4c3OCCO4)C[C@H]21 ZINC001143187420 1029892073 /nfs/dbraw/zinc/89/20/73/1029892073.db2.gz RGONPYIIIHUOAJ-QXAKKESOSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3scc4c3OCCO4)C[C@H]21 ZINC001143187420 1029892083 /nfs/dbraw/zinc/89/20/83/1029892083.db2.gz RGONPYIIIHUOAJ-QXAKKESOSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3scc4c3OCCO4)C[C@H]21 ZINC001143187420 1029892091 /nfs/dbraw/zinc/89/20/91/1029892091.db2.gz RGONPYIIIHUOAJ-QXAKKESOSA-N 2 2 399.560 3.647 20 0 GHADLP c1c2cccnc2[nH]c1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001143214816 1029918262 /nfs/dbraw/zinc/91/82/62/1029918262.db2.gz SYGOTUBJTCRTNY-URXFXBBRSA-N 2 2 394.563 3.523 20 0 GHADLP c1c2cccnc2[nH]c1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001143214816 1029918270 /nfs/dbraw/zinc/91/82/70/1029918270.db2.gz SYGOTUBJTCRTNY-URXFXBBRSA-N 2 2 394.563 3.523 20 0 GHADLP c1c2cccnc2[nH]c1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001143214816 1029918276 /nfs/dbraw/zinc/91/82/76/1029918276.db2.gz SYGOTUBJTCRTNY-URXFXBBRSA-N 2 2 394.563 3.523 20 0 GHADLP c1c2cccnc2[nH]c1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001143214816 1029918278 /nfs/dbraw/zinc/91/82/78/1029918278.db2.gz SYGOTUBJTCRTNY-URXFXBBRSA-N 2 2 394.563 3.523 20 0 GHADLP COc1cc2c(cc1NC(=O)C[N@@H+]1C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C1)oc1ccccc12 ZINC000843367241 1029944131 /nfs/dbraw/zinc/94/41/31/1029944131.db2.gz BTOTVZNRYYSBHA-BMGDILEWSA-N 2 2 393.487 3.592 20 0 GHADLP COc1cc2c(cc1NC(=O)C[N@H+]1C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C1)oc1ccccc12 ZINC000843367241 1029944136 /nfs/dbraw/zinc/94/41/36/1029944136.db2.gz BTOTVZNRYYSBHA-BMGDILEWSA-N 2 2 393.487 3.592 20 0 GHADLP COc1cc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc(Br)c1O ZINC001222160577 1029982718 /nfs/dbraw/zinc/98/27/18/1029982718.db2.gz GCXKITZUUOSOQD-LJQANCHMSA-N 2 2 397.357 3.909 20 0 GHADLP COc1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc(Br)c1O ZINC001222160577 1029982723 /nfs/dbraw/zinc/98/27/23/1029982723.db2.gz GCXKITZUUOSOQD-LJQANCHMSA-N 2 2 397.357 3.909 20 0 GHADLP FC(F)(F)c1ccc(-c2cccc(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)c2)cc1 ZINC001222501966 1030171364 /nfs/dbraw/zinc/17/13/64/1030171364.db2.gz APRXOBFKJIJENX-SFTDATJTSA-N 2 2 389.465 3.898 20 0 GHADLP c1c(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)nc2ccccn12 ZINC001222573487 1030202768 /nfs/dbraw/zinc/20/27/68/1030202768.db2.gz AIKQXOKSNBRCSX-QFIPXVFZSA-N 2 2 390.531 3.638 20 0 GHADLP c1c(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)nc2ccccn12 ZINC001222573487 1030202787 /nfs/dbraw/zinc/20/27/87/1030202787.db2.gz AIKQXOKSNBRCSX-QFIPXVFZSA-N 2 2 390.531 3.638 20 0 GHADLP Brc1cnc2[nH]cc(C[N@@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)c2c1 ZINC001222602064 1030225916 /nfs/dbraw/zinc/22/59/16/1030225916.db2.gz GZSARYLZQMIDQB-SFHVURJKSA-N 2 2 397.320 3.514 20 0 GHADLP Brc1cnc2[nH]cc(C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)c2c1 ZINC001222602064 1030225928 /nfs/dbraw/zinc/22/59/28/1030225928.db2.gz GZSARYLZQMIDQB-SFHVURJKSA-N 2 2 397.320 3.514 20 0 GHADLP Fc1cc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1OC(F)(F)F ZINC001222601905 1030227124 /nfs/dbraw/zinc/22/71/24/1030227124.db2.gz COUQQWBFUQRFLB-INIZCTEOSA-N 2 2 380.385 3.913 20 0 GHADLP Fc1cc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1OC(F)(F)F ZINC001222601905 1030227136 /nfs/dbraw/zinc/22/71/36/1030227136.db2.gz COUQQWBFUQRFLB-INIZCTEOSA-N 2 2 380.385 3.913 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC001222609441 1030232342 /nfs/dbraw/zinc/23/23/42/1030232342.db2.gz NTRGHAIOULNMKD-IBGZPJMESA-N 2 2 376.422 3.903 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC001222609441 1030232355 /nfs/dbraw/zinc/23/23/55/1030232355.db2.gz NTRGHAIOULNMKD-IBGZPJMESA-N 2 2 376.422 3.903 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC001150186729 1030441293 /nfs/dbraw/zinc/44/12/93/1030441293.db2.gz OTIOCTNLWIKRMH-TYCQWZJGSA-N 2 2 385.939 3.722 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC001150186729 1030441294 /nfs/dbraw/zinc/44/12/94/1030441294.db2.gz OTIOCTNLWIKRMH-TYCQWZJGSA-N 2 2 385.939 3.722 20 0 GHADLP C[C@@H](OCc1ccccc1)[C@H]([NH3+])c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217700628 1030617105 /nfs/dbraw/zinc/61/71/05/1030617105.db2.gz GEHACBZPRHVFKW-QMMLZNLJSA-N 2 2 392.503 3.664 20 0 GHADLP C[C@@H](OCc1ccccc1)[C@H]([NH3+])c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217700628 1030617106 /nfs/dbraw/zinc/61/71/06/1030617106.db2.gz GEHACBZPRHVFKW-QMMLZNLJSA-N 2 2 392.503 3.664 20 0 GHADLP C[NH2+][C@@H](COCc1ccccc1)c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217717883 1030627200 /nfs/dbraw/zinc/62/72/00/1030627200.db2.gz QVPIYQYCLWNQTB-SFTDATJTSA-N 2 2 392.503 3.536 20 0 GHADLP C[NH2+][C@@H](COCc1ccccc1)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217717883 1030627215 /nfs/dbraw/zinc/62/72/15/1030627215.db2.gz QVPIYQYCLWNQTB-SFTDATJTSA-N 2 2 392.503 3.536 20 0 GHADLP COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000131310320 1030898948 /nfs/dbraw/zinc/89/89/48/1030898948.db2.gz KNXLOKQYDXHEEV-AWEZNQCLSA-N 2 2 378.314 3.646 20 0 GHADLP COc1ccc(Br)cc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000131310320 1030898962 /nfs/dbraw/zinc/89/89/62/1030898962.db2.gz KNXLOKQYDXHEEV-AWEZNQCLSA-N 2 2 378.314 3.646 20 0 GHADLP CC(C)(C)Oc1ccc(C[C@H]([NH3+])C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001218848172 1031112274 /nfs/dbraw/zinc/11/22/74/1031112274.db2.gz NMLRAPMILMUHLK-NRFANRHFSA-N 2 2 392.503 3.617 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccccc1Cl ZINC001219027708 1031218719 /nfs/dbraw/zinc/21/87/19/1031218719.db2.gz AECCOWZMQOOJQL-FQEVSTJZSA-N 2 2 387.911 3.844 20 0 GHADLP CCc1cc(Oc2cccc(NC(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)c2)ccc1Cl ZINC001219230638 1031315215 /nfs/dbraw/zinc/31/52/15/1031315215.db2.gz QXXZFJXYXUCORM-LJQANCHMSA-N 2 2 384.867 3.926 20 0 GHADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001220186199 1031823649 /nfs/dbraw/zinc/82/36/49/1031823649.db2.gz NJCVUOYGBOGSDB-AEFFLSMTSA-N 2 2 399.913 3.618 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)c1cccc2c1C[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC001220532113 1031979297 /nfs/dbraw/zinc/97/92/97/1031979297.db2.gz DEXDWBGFJGONDH-IBGZPJMESA-N 2 2 392.330 3.672 20 0 GHADLP C[N@H+]1Cc2c(NC(=O)c3ccc4[nH+]c(N)[nH]c4c3)cccc2[C@@H](c2ccccc2)C1 ZINC001156975602 1033352615 /nfs/dbraw/zinc/35/26/15/1033352615.db2.gz RZJLHKKKGZBTKL-GOSISDBHSA-N 2 2 397.482 3.975 20 0 GHADLP C[N@@H+]1Cc2c(NC(=O)c3ccc4[nH+]c(N)[nH]c4c3)cccc2[C@@H](c2ccccc2)C1 ZINC001156975602 1033352626 /nfs/dbraw/zinc/35/26/26/1033352626.db2.gz RZJLHKKKGZBTKL-GOSISDBHSA-N 2 2 397.482 3.975 20 0 GHADLP Oc1cccc2sc(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)cc21 ZINC001205411930 1033398996 /nfs/dbraw/zinc/39/89/96/1033398996.db2.gz SJJUVUYIXDGQGX-SFHVURJKSA-N 2 2 382.529 3.988 20 0 GHADLP Oc1cccc2sc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)cc21 ZINC001205411930 1033399000 /nfs/dbraw/zinc/39/90/00/1033399000.db2.gz SJJUVUYIXDGQGX-SFHVURJKSA-N 2 2 382.529 3.988 20 0 GHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2c(C)ccnc2N)cc1 ZINC001205706679 1033539088 /nfs/dbraw/zinc/53/90/88/1033539088.db2.gz RLGDEQSIAZBZAZ-UHFFFAOYSA-N 2 2 379.508 3.660 20 0 GHADLP C[NH+](C)Cc1nc(CSCCNc2cc(N3CCCC3)cc[nH+]2)cs1 ZINC001157337316 1033543878 /nfs/dbraw/zinc/54/38/78/1033543878.db2.gz UIJXGLOTTKTSGQ-UHFFFAOYSA-N 2 2 377.583 3.545 20 0 GHADLP CC(C)Oc1ccc(-c2ccc(C[N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)cn2)cc1 ZINC001205794784 1033577448 /nfs/dbraw/zinc/57/74/48/1033577448.db2.gz BISIFNYHRBMIQH-SFHVURJKSA-N 2 2 375.463 3.952 20 0 GHADLP CC(C)Oc1ccc(-c2ccc(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)cn2)cc1 ZINC001205794784 1033577457 /nfs/dbraw/zinc/57/74/57/1033577457.db2.gz BISIFNYHRBMIQH-SFHVURJKSA-N 2 2 375.463 3.952 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C(=O)NCCc1ccccc1 ZINC001205812737 1033587468 /nfs/dbraw/zinc/58/74/68/1033587468.db2.gz NITRLYCIUSGENB-APTRMMRNSA-N 2 2 391.559 3.692 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(=O)NCCc1ccccc1 ZINC001205812737 1033587476 /nfs/dbraw/zinc/58/74/76/1033587476.db2.gz NITRLYCIUSGENB-APTRMMRNSA-N 2 2 391.559 3.692 20 0 GHADLP C[N@@H+]1CCN(C(=O)[C@H]([NH3+])Cc2ccc(-c3ccccc3)cc2)[C@H](c2ccccc2)C1 ZINC001157494807 1033618730 /nfs/dbraw/zinc/61/87/30/1033618730.db2.gz AZCSLOJWRXDXIL-RPBOFIJWSA-N 2 2 399.538 3.739 20 0 GHADLP C[N@H+]1CCN(C(=O)[C@H]([NH3+])Cc2ccc(-c3ccccc3)cc2)[C@H](c2ccccc2)C1 ZINC001157494807 1033618740 /nfs/dbraw/zinc/61/87/40/1033618740.db2.gz AZCSLOJWRXDXIL-RPBOFIJWSA-N 2 2 399.538 3.739 20 0 GHADLP COc1cc(C)ccc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001206756448 1033971481 /nfs/dbraw/zinc/97/14/81/1033971481.db2.gz OUDZPHUABSSNIJ-FSSWDIPSSA-N 2 2 382.552 3.574 20 0 GHADLP COc1cc(C)ccc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001206756448 1033971491 /nfs/dbraw/zinc/97/14/91/1033971491.db2.gz OUDZPHUABSSNIJ-FSSWDIPSSA-N 2 2 382.552 3.574 20 0 GHADLP COc1cc(C)ccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001206756448 1033971496 /nfs/dbraw/zinc/97/14/96/1033971496.db2.gz OUDZPHUABSSNIJ-FSSWDIPSSA-N 2 2 382.552 3.574 20 0 GHADLP COc1cc(C)ccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001206756448 1033971503 /nfs/dbraw/zinc/97/15/03/1033971503.db2.gz OUDZPHUABSSNIJ-FSSWDIPSSA-N 2 2 382.552 3.574 20 0 GHADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC001206769019 1033976339 /nfs/dbraw/zinc/97/63/39/1033976339.db2.gz MJSPOOZSHAJSBP-MNOVXSKESA-N 2 2 381.236 3.907 20 0 GHADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC001206769019 1033976348 /nfs/dbraw/zinc/97/63/48/1033976348.db2.gz MJSPOOZSHAJSBP-MNOVXSKESA-N 2 2 381.236 3.907 20 0 GHADLP Cc1cc(N(C2CC[NH2+]CC2)C(F)(F)c2nc(Cl)ccc2F)nc(C)[nH+]1 ZINC001158391426 1034057932 /nfs/dbraw/zinc/05/79/32/1034057932.db2.gz FDMMKTLYZVDQAD-UHFFFAOYSA-N 2 2 385.821 3.589 20 0 GHADLP O=C(OCc1ccccc1)[C@@H]1CCC[NH2+][C@@H](Nc2cc(N3CCCC3)cc[nH+]2)C1 ZINC001158586980 1034177401 /nfs/dbraw/zinc/17/74/01/1034177401.db2.gz UEUCFAUFBOZHDG-CTNGQTDRSA-N 2 2 394.519 3.553 20 0 GHADLP CC(C)(C)OC(=O)NC12CC(CC[NH+]3CCC(Oc4cc[nH+]cc4)CC3)(C1)C2 ZINC001207223764 1034190205 /nfs/dbraw/zinc/19/02/05/1034190205.db2.gz ZPXVTVJIPAMOSE-UHFFFAOYSA-N 2 2 387.524 3.762 20 0 GHADLP C[NH+]1CCN(c2cccc(NC3(c4ccccc4C(F)(F)F)CC3)[nH+]2)CC1 ZINC001158691736 1034234347 /nfs/dbraw/zinc/23/43/47/1034234347.db2.gz MJPUCPNZAQOWQP-UHFFFAOYSA-N 2 2 376.426 3.953 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001207316350 1034263603 /nfs/dbraw/zinc/26/36/03/1034263603.db2.gz XFFRIIOEDZJMMN-LJQANCHMSA-N 2 2 383.552 3.674 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](CCc3cccc(Br)c3)C2)C1 ZINC001207507413 1034412876 /nfs/dbraw/zinc/41/28/76/1034412876.db2.gz SPWCPDUIRUNYMA-FQEVSTJZSA-N 2 2 395.385 3.814 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](CCc3cccc(Br)c3)C2)C1 ZINC001207507413 1034412879 /nfs/dbraw/zinc/41/28/79/1034412879.db2.gz SPWCPDUIRUNYMA-FQEVSTJZSA-N 2 2 395.385 3.814 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](CCc3cccc(Br)c3)C2)C1 ZINC001207507413 1034412888 /nfs/dbraw/zinc/41/28/88/1034412888.db2.gz SPWCPDUIRUNYMA-FQEVSTJZSA-N 2 2 395.385 3.814 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](CCc3cccc(Br)c3)C2)C1 ZINC001207507413 1034412893 /nfs/dbraw/zinc/41/28/93/1034412893.db2.gz SPWCPDUIRUNYMA-FQEVSTJZSA-N 2 2 395.385 3.814 20 0 GHADLP COc1cccc(CCC[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC001207560499 1034449360 /nfs/dbraw/zinc/44/93/60/1034449360.db2.gz FGUZFCSVHOLNIV-UHFFFAOYSA-N 2 2 384.520 3.588 20 0 GHADLP COc1cccc(CCC[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC001207560499 1034449372 /nfs/dbraw/zinc/44/93/72/1034449372.db2.gz FGUZFCSVHOLNIV-UHFFFAOYSA-N 2 2 384.520 3.588 20 0 GHADLP COc1ccc(CCC[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc1 ZINC001207578117 1034459678 /nfs/dbraw/zinc/45/96/78/1034459678.db2.gz UWOASIMMGDCPAC-UHFFFAOYSA-N 2 2 384.520 3.588 20 0 GHADLP COc1ccc(CCC[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc1 ZINC001207578117 1034459690 /nfs/dbraw/zinc/45/96/90/1034459690.db2.gz UWOASIMMGDCPAC-UHFFFAOYSA-N 2 2 384.520 3.588 20 0 GHADLP C[NH+](C)CC1(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)CCCC1 ZINC001208186503 1034783105 /nfs/dbraw/zinc/78/31/05/1034783105.db2.gz VQERYFRFFKSJLO-UHFFFAOYSA-N 3 2 391.625 3.537 20 0 GHADLP Cc1sc2ccccc2c1C[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001231648475 1034805151 /nfs/dbraw/zinc/80/51/51/1034805151.db2.gz FNGBQNUZWPDTGP-UHFFFAOYSA-N 2 2 393.560 3.922 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1Nc1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC001160265204 1034922977 /nfs/dbraw/zinc/92/29/77/1034922977.db2.gz LQRNCPJVLNBUSU-HXUWFJFHSA-N 2 2 395.547 3.813 20 0 GHADLP c1c(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)[nH]c2cccnc12 ZINC001232063807 1035073735 /nfs/dbraw/zinc/07/37/35/1035073735.db2.gz XWAFQSFOXDHQNO-RDPSFJRHSA-N 2 2 394.563 3.523 20 0 GHADLP c1c(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)[nH]c2cccnc12 ZINC001232063807 1035073744 /nfs/dbraw/zinc/07/37/44/1035073744.db2.gz XWAFQSFOXDHQNO-RDPSFJRHSA-N 2 2 394.563 3.523 20 0 GHADLP c1c(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)[nH]c2cccnc12 ZINC001232063807 1035073752 /nfs/dbraw/zinc/07/37/52/1035073752.db2.gz XWAFQSFOXDHQNO-RDPSFJRHSA-N 2 2 394.563 3.523 20 0 GHADLP c1c(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)[nH]c2cccnc12 ZINC001232063807 1035073756 /nfs/dbraw/zinc/07/37/56/1035073756.db2.gz XWAFQSFOXDHQNO-RDPSFJRHSA-N 2 2 394.563 3.523 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208941987 1035111361 /nfs/dbraw/zinc/11/13/61/1035111361.db2.gz NZQMUVFJNUFSIG-FQEVSTJZSA-N 2 2 385.552 3.594 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208941987 1035111367 /nfs/dbraw/zinc/11/13/67/1035111367.db2.gz NZQMUVFJNUFSIG-FQEVSTJZSA-N 2 2 385.552 3.594 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[NH+]2C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208941987 1035111370 /nfs/dbraw/zinc/11/13/70/1035111370.db2.gz NZQMUVFJNUFSIG-FQEVSTJZSA-N 2 2 385.552 3.594 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[NH+]2C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208941987 1035111373 /nfs/dbraw/zinc/11/13/73/1035111373.db2.gz NZQMUVFJNUFSIG-FQEVSTJZSA-N 2 2 385.552 3.594 20 0 GHADLP O=c1[nH]c2ccccc2n1C1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208945144 1035115110 /nfs/dbraw/zinc/11/51/10/1035115110.db2.gz ZBEUCLIERUHSBD-HXUWFJFHSA-N 2 2 390.531 3.901 20 0 GHADLP O=c1[nH]c2ccccc2n1C1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208945144 1035115113 /nfs/dbraw/zinc/11/51/13/1035115113.db2.gz ZBEUCLIERUHSBD-HXUWFJFHSA-N 2 2 390.531 3.901 20 0 GHADLP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146563 1035124999 /nfs/dbraw/zinc/12/49/99/1035124999.db2.gz UIJITZKKQKUGCL-LJQANCHMSA-N 2 2 379.520 3.719 20 0 GHADLP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146563 1035125002 /nfs/dbraw/zinc/12/50/02/1035125002.db2.gz UIJITZKKQKUGCL-LJQANCHMSA-N 2 2 379.520 3.719 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCc4ccc(Cl)cc4Cl)C[C@H]3C2)cn1 ZINC001209080765 1035165450 /nfs/dbraw/zinc/16/54/50/1035165450.db2.gz GGKSFFLHOFMBQZ-QZTJIDSGSA-N 2 2 393.362 3.723 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCc4ccc(Cl)cc4Cl)C[C@H]3C2)cn1 ZINC001209080765 1035165453 /nfs/dbraw/zinc/16/54/53/1035165453.db2.gz GGKSFFLHOFMBQZ-QZTJIDSGSA-N 2 2 393.362 3.723 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCc4ccc(Cl)cc4Cl)C[C@H]3C2)cn1 ZINC001209080765 1035165458 /nfs/dbraw/zinc/16/54/58/1035165458.db2.gz GGKSFFLHOFMBQZ-QZTJIDSGSA-N 2 2 393.362 3.723 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCc4ccc(Cl)cc4Cl)C[C@H]3C2)cn1 ZINC001209080765 1035165461 /nfs/dbraw/zinc/16/54/61/1035165461.db2.gz GGKSFFLHOFMBQZ-QZTJIDSGSA-N 2 2 393.362 3.723 20 0 GHADLP Clc1ccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(Cl)c1 ZINC001209081069 1035165538 /nfs/dbraw/zinc/16/55/38/1035165538.db2.gz JPKGQSBYRATIJY-CALCHBBNSA-N 2 2 376.331 3.995 20 0 GHADLP Clc1ccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(Cl)c1 ZINC001209081069 1035165542 /nfs/dbraw/zinc/16/55/42/1035165542.db2.gz JPKGQSBYRATIJY-CALCHBBNSA-N 2 2 376.331 3.995 20 0 GHADLP Clc1ccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c(Cl)c1 ZINC001209081069 1035165545 /nfs/dbraw/zinc/16/55/45/1035165545.db2.gz JPKGQSBYRATIJY-CALCHBBNSA-N 2 2 376.331 3.995 20 0 GHADLP Clc1ccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c(Cl)c1 ZINC001209081069 1035165547 /nfs/dbraw/zinc/16/55/47/1035165547.db2.gz JPKGQSBYRATIJY-CALCHBBNSA-N 2 2 376.331 3.995 20 0 GHADLP C1=C2CCC[N@@H+](CC3CCC4(CC3)OCCO4)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001209104260 1035175020 /nfs/dbraw/zinc/17/50/20/1035175020.db2.gz YLWNUSCIOXKXEQ-WBADGQHESA-N 2 2 386.580 3.815 20 0 GHADLP C1=C2CCC[N@H+](CC3CCC4(CC3)OCCO4)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001209104260 1035175023 /nfs/dbraw/zinc/17/50/23/1035175023.db2.gz YLWNUSCIOXKXEQ-WBADGQHESA-N 2 2 386.580 3.815 20 0 GHADLP C1=C2CCC[NH+](CC3CCC4(CC3)OCCO4)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001209104260 1035175027 /nfs/dbraw/zinc/17/50/27/1035175027.db2.gz YLWNUSCIOXKXEQ-WBADGQHESA-N 2 2 386.580 3.815 20 0 GHADLP C1=C2CCC[NH+](CC3CCC4(CC3)OCCO4)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001209104260 1035175030 /nfs/dbraw/zinc/17/50/30/1035175030.db2.gz YLWNUSCIOXKXEQ-WBADGQHESA-N 2 2 386.580 3.815 20 0 GHADLP FC(F)(F)c1cccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001209117306 1035180956 /nfs/dbraw/zinc/18/09/56/1035180956.db2.gz UHBGXFOCYIHEFS-KDURUIRLSA-N 2 2 375.438 3.707 20 0 GHADLP FC(F)(F)c1cccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001209117306 1035180961 /nfs/dbraw/zinc/18/09/61/1035180961.db2.gz UHBGXFOCYIHEFS-KDURUIRLSA-N 2 2 375.438 3.707 20 0 GHADLP FC(F)(F)c1cccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001209117306 1035180967 /nfs/dbraw/zinc/18/09/67/1035180967.db2.gz UHBGXFOCYIHEFS-KDURUIRLSA-N 2 2 375.438 3.707 20 0 GHADLP FC(F)(F)c1cccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001209117306 1035180976 /nfs/dbraw/zinc/18/09/76/1035180976.db2.gz UHBGXFOCYIHEFS-KDURUIRLSA-N 2 2 375.438 3.707 20 0 GHADLP c1ccc(CCCCC[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001209228949 1035212500 /nfs/dbraw/zinc/21/25/00/1035212500.db2.gz DFHDCUKLXLNBQA-UHFFFAOYSA-N 2 2 381.568 3.535 20 0 GHADLP c1ccc(CCCCC[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001209228949 1035212505 /nfs/dbraw/zinc/21/25/05/1035212505.db2.gz DFHDCUKLXLNBQA-UHFFFAOYSA-N 2 2 381.568 3.535 20 0 GHADLP c1c(C[NH+]2CCCCC2)nc2n1CC[N@@H+](CCCCOCc1ccccc1)C2 ZINC001209253061 1035222865 /nfs/dbraw/zinc/22/28/65/1035222865.db2.gz KGLVKLRGXFYRJD-UHFFFAOYSA-N 2 2 382.552 3.682 20 0 GHADLP c1c(C[NH+]2CCCCC2)nc2n1CC[N@H+](CCCCOCc1ccccc1)C2 ZINC001209253061 1035222871 /nfs/dbraw/zinc/22/28/71/1035222871.db2.gz KGLVKLRGXFYRJD-UHFFFAOYSA-N 2 2 382.552 3.682 20 0 GHADLP [NH3+][C@@H](Cc1nc(-c2ccccc2-n2cc[nH+]c2)no1)Cc1ccc(Cl)cc1 ZINC001248178965 1035606987 /nfs/dbraw/zinc/60/69/87/1035606987.db2.gz VNVRMPZWTZKLNR-MRXNPFEDSA-N 2 2 379.851 3.688 20 0 GHADLP COc1c(F)cc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)cc1Cl ZINC001278339312 1035779953 /nfs/dbraw/zinc/77/99/53/1035779953.db2.gz COCSSJNTXBPAKE-UHFFFAOYSA-N 2 2 377.891 3.914 20 0 GHADLP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1c(F)ccc(Cl)c1Cl)CC2 ZINC001278340738 1035802833 /nfs/dbraw/zinc/80/28/33/1035802833.db2.gz SUCJIHVCYDGHFR-UHFFFAOYSA-N 2 2 388.358 3.982 20 0 GHADLP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1c(F)ccc(Cl)c1Cl)CC2 ZINC001278340738 1035802857 /nfs/dbraw/zinc/80/28/57/1035802857.db2.gz SUCJIHVCYDGHFR-UHFFFAOYSA-N 2 2 388.358 3.982 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4c(cnn4[C@H]4CCCCO4)c3)cc2)C1 ZINC001242449742 1035910011 /nfs/dbraw/zinc/91/00/11/1035910011.db2.gz AOMBMYRTNCBAER-JTHBVZDNSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4c(cnn4[C@H]4CCCCO4)c3)cc2)C1 ZINC001242449742 1035910015 /nfs/dbraw/zinc/91/00/15/1035910015.db2.gz AOMBMYRTNCBAER-JTHBVZDNSA-N 2 2 376.504 3.935 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]C[C@@H]([NH3+])c2ccccc2)CC1 ZINC001246278236 1037273025 /nfs/dbraw/zinc/27/30/25/1037273025.db2.gz FRSHZHSWJFVQPP-SNCIUUNGSA-N 2 2 386.923 3.983 20 0 GHADLP Clc1ccc(CC2([NH2+][C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246391624 1037352512 /nfs/dbraw/zinc/35/25/12/1037352512.db2.gz OCEAFVJXRPIURT-DHIUTWEWSA-N 3 2 397.994 3.958 20 0 GHADLP FC(F)(F)c1ccc(CC2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC[NH2+]CC2)cc1 ZINC001246429184 1037388483 /nfs/dbraw/zinc/38/84/83/1037388483.db2.gz NTRNMRQDJUNKLM-BWTSREIZSA-N 3 2 381.486 3.633 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCC3CCC3)n2)CC[NH2+]1 ZINC001246434035 1037396283 /nfs/dbraw/zinc/39/62/83/1037396283.db2.gz LLAIHEKFABENBF-RXVVDRJESA-N 2 2 384.499 3.686 20 0 GHADLP COc1cccc([C@H](C[NH3+])[NH2+]C2CCC(C3CCC4(CC3)OCCO4)CC2)c1 ZINC001246510347 1037450483 /nfs/dbraw/zinc/45/04/83/1037450483.db2.gz KXXZXFUISQYSHO-QVHXHXEWSA-N 2 2 388.552 3.777 20 0 GHADLP FC(F)(F)c1cccnc1N1CC[NH+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC001246528131 1037460800 /nfs/dbraw/zinc/46/08/00/1037460800.db2.gz FWMQDMZBHKSRIF-PKOBYXMFSA-N 2 2 390.453 3.716 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)CC1 ZINC001246574224 1037487627 /nfs/dbraw/zinc/48/76/27/1037487627.db2.gz FQLVRNWUBYEEAE-VEDCXYSMSA-N 2 2 396.934 3.846 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCCC[C@@](F)(C[NH3+])C2)CC1 ZINC001246574224 1037487640 /nfs/dbraw/zinc/48/76/40/1037487640.db2.gz FQLVRNWUBYEEAE-VEDCXYSMSA-N 2 2 396.934 3.846 20 0 GHADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246710864 1037563379 /nfs/dbraw/zinc/56/33/79/1037563379.db2.gz URPJZCGGWJMGFG-RCTAOEEJSA-N 3 2 375.560 3.852 20 0 GHADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246710864 1037563394 /nfs/dbraw/zinc/56/33/94/1037563394.db2.gz URPJZCGGWJMGFG-RCTAOEEJSA-N 3 2 375.560 3.852 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246710864 1037563423 /nfs/dbraw/zinc/56/34/23/1037563423.db2.gz URPJZCGGWJMGFG-RCTAOEEJSA-N 3 2 375.560 3.852 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246710864 1037563440 /nfs/dbraw/zinc/56/34/40/1037563440.db2.gz URPJZCGGWJMGFG-RCTAOEEJSA-N 3 2 375.560 3.852 20 0 GHADLP c1ccc([C@H]2C[C@@H]([NH+]3CCN(c4nc5ccccc5s4)CC3)CC[NH2+]2)cc1 ZINC001246782958 1037624339 /nfs/dbraw/zinc/62/43/39/1037624339.db2.gz YDWRVPQARIXOHT-AZUAARDMSA-N 2 2 378.545 3.912 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@@H]([N@H+](C2COC2)C2CC[NH2+]CC2)CC3)cc1 ZINC001246842055 1037667876 /nfs/dbraw/zinc/66/78/76/1037667876.db2.gz AEKYUOHCKCBDKT-QHCPKHFHSA-N 2 2 392.543 3.576 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@@H]([N@@H+](C2COC2)C2CC[NH2+]CC2)CC3)cc1 ZINC001246842055 1037667884 /nfs/dbraw/zinc/66/78/84/1037667884.db2.gz AEKYUOHCKCBDKT-QHCPKHFHSA-N 2 2 392.543 3.576 20 0 GHADLP c1ccc(C(c2ccccc2)[NH+]2CC3(C2)CC[N@@H+]([C@@H]2CCC4(C[NH2+]C4)C2)C3)cc1 ZINC001246998231 1037821408 /nfs/dbraw/zinc/82/14/08/1037821408.db2.gz YCFIXACKWLGXPE-HSZRJFAPSA-N 3 2 387.571 3.926 20 0 GHADLP c1ccc(C(c2ccccc2)[NH+]2CC3(C2)CC[N@H+]([C@@H]2CCC4(C[NH2+]C4)C2)C3)cc1 ZINC001246998231 1037821433 /nfs/dbraw/zinc/82/14/33/1037821433.db2.gz YCFIXACKWLGXPE-HSZRJFAPSA-N 3 2 387.571 3.926 20 0 GHADLP Fc1cc(-c2noc([C@H]3CC4CC[NH+]3CC4)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247370676 1038155824 /nfs/dbraw/zinc/15/58/24/1038155824.db2.gz FLBXKWAWDRDIEX-RTBURBONSA-N 2 2 379.439 3.765 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cn4cc(F)ccc4n3)C[C@H]21 ZINC001232411945 1038195949 /nfs/dbraw/zinc/19/59/49/1038195949.db2.gz GNRDKEADQPLDCU-ZPMCFJSWSA-N 2 2 393.510 3.601 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cn4cc(F)ccc4n3)C[C@H]21 ZINC001232411945 1038195953 /nfs/dbraw/zinc/19/59/53/1038195953.db2.gz GNRDKEADQPLDCU-ZPMCFJSWSA-N 2 2 393.510 3.601 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cn4cc(F)ccc4n3)C[C@H]21 ZINC001232411945 1038195956 /nfs/dbraw/zinc/19/59/56/1038195956.db2.gz GNRDKEADQPLDCU-ZPMCFJSWSA-N 2 2 393.510 3.601 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cn4cc(F)ccc4n3)C[C@H]21 ZINC001232411945 1038195958 /nfs/dbraw/zinc/19/59/58/1038195958.db2.gz GNRDKEADQPLDCU-ZPMCFJSWSA-N 2 2 393.510 3.601 20 0 GHADLP Cn1c[nH+]cc1CN1CC2(CCC1=O)CC[NH+](Cc1cc(Cl)cs1)CC2 ZINC001277676825 1038287537 /nfs/dbraw/zinc/28/75/37/1038287537.db2.gz SBVCSKXSVWHOPY-UHFFFAOYSA-N 2 2 392.956 3.540 20 0 GHADLP c1[nH]c2nccnc2c1C[NH+]1CCC2(CCn3c(-c4ccccc4)c[nH+]c32)CC1 ZINC001232546068 1038311706 /nfs/dbraw/zinc/31/17/06/1038311706.db2.gz NIXVAGIMLDGOQM-UHFFFAOYSA-N 2 2 384.487 3.711 20 0 GHADLP CCOc1ccnc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001232581087 1038351286 /nfs/dbraw/zinc/35/12/86/1038351286.db2.gz JSZYOYKVXGIDQN-NMNUPHIUSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ccnc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001232581087 1038351301 /nfs/dbraw/zinc/35/13/01/1038351301.db2.gz JSZYOYKVXGIDQN-NMNUPHIUSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ccnc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001232581087 1038351323 /nfs/dbraw/zinc/35/13/23/1038351323.db2.gz JSZYOYKVXGIDQN-NMNUPHIUSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ccnc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001232581087 1038351340 /nfs/dbraw/zinc/35/13/40/1038351340.db2.gz JSZYOYKVXGIDQN-NMNUPHIUSA-N 2 2 380.536 3.608 20 0 GHADLP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Br)cc1Br)CC2 ZINC001232717637 1038515583 /nfs/dbraw/zinc/51/55/83/1038515583.db2.gz QGLYBXUWOSJZTP-UHFFFAOYSA-N 2 2 388.147 3.739 20 0 GHADLP Oc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1OCC1CC1 ZINC001233228904 1038989007 /nfs/dbraw/zinc/98/90/07/1038989007.db2.gz ZVWXSZPGOSQSCF-FGZHOGPDSA-N 2 2 378.516 3.745 20 0 GHADLP CC[NH+]1C[C@H]2C[NH+](Cc3cc(OC)c(OC)c(OCc4ccccc4)c3)C[C@@H]2C1 ZINC001233254101 1039020864 /nfs/dbraw/zinc/02/08/64/1039020864.db2.gz HJIAIRZAUZLNBS-SFTDATJTSA-N 2 2 396.531 3.666 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC001252758223 1039142516 /nfs/dbraw/zinc/14/25/16/1039142516.db2.gz LJFYEWANVLYFHA-TZIWHRDSSA-N 2 2 384.520 3.581 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC001252758223 1039142534 /nfs/dbraw/zinc/14/25/34/1039142534.db2.gz LJFYEWANVLYFHA-TZIWHRDSSA-N 2 2 384.520 3.581 20 0 GHADLP Cc1ccccc1[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC001252917515 1039256493 /nfs/dbraw/zinc/25/64/93/1039256493.db2.gz SZNIDLXUOVEZSY-DQEYMECFSA-N 2 2 387.527 3.706 20 0 GHADLP Cc1ccccc1[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC001252917515 1039256514 /nfs/dbraw/zinc/25/65/14/1039256514.db2.gz SZNIDLXUOVEZSY-DQEYMECFSA-N 2 2 387.527 3.706 20 0 GHADLP C[N@H+](Cc1cccc(OC(F)(F)F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252935947 1039275913 /nfs/dbraw/zinc/27/59/13/1039275913.db2.gz DLTMXKYZJSVDKT-HXUWFJFHSA-N 2 2 394.437 3.654 20 0 GHADLP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252935947 1039275933 /nfs/dbraw/zinc/27/59/33/1039275933.db2.gz DLTMXKYZJSVDKT-HXUWFJFHSA-N 2 2 394.437 3.654 20 0 GHADLP C[NH+](Cc1cccc(OC(F)(F)F)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252935947 1039275950 /nfs/dbraw/zinc/27/59/50/1039275950.db2.gz DLTMXKYZJSVDKT-HXUWFJFHSA-N 2 2 394.437 3.654 20 0 GHADLP C[NH+](Cc1cccc(OC(F)(F)F)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252935947 1039275960 /nfs/dbraw/zinc/27/59/60/1039275960.db2.gz DLTMXKYZJSVDKT-HXUWFJFHSA-N 2 2 394.437 3.654 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccc(-c3nccs3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948392 1039290855 /nfs/dbraw/zinc/29/08/55/1039290855.db2.gz MUQMSQNJGGTJCN-JOCHJYFZSA-N 2 2 379.529 3.537 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccc(-c3nccs3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948392 1039290863 /nfs/dbraw/zinc/29/08/63/1039290863.db2.gz MUQMSQNJGGTJCN-JOCHJYFZSA-N 2 2 379.529 3.537 20 0 GHADLP CCCCC[C@H](O)C[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001253532993 1039694740 /nfs/dbraw/zinc/69/47/40/1039694740.db2.gz WZIQMVSWASQJLF-VQTJNVASSA-N 2 2 381.511 3.556 20 0 GHADLP CCCCC[C@H](O)C[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001253532993 1039694747 /nfs/dbraw/zinc/69/47/47/1039694747.db2.gz WZIQMVSWASQJLF-VQTJNVASSA-N 2 2 381.511 3.556 20 0 GHADLP CCCCC[C@H](O)C[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001253532993 1039694755 /nfs/dbraw/zinc/69/47/55/1039694755.db2.gz WZIQMVSWASQJLF-VQTJNVASSA-N 2 2 381.511 3.556 20 0 GHADLP CCCCC[C@H](O)C[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001253532993 1039694765 /nfs/dbraw/zinc/69/47/65/1039694765.db2.gz WZIQMVSWASQJLF-VQTJNVASSA-N 2 2 381.511 3.556 20 0 GHADLP CCCCC[C@H](O)C[NH2+]C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001253554325 1039702194 /nfs/dbraw/zinc/70/21/94/1039702194.db2.gz KYFSAROIUJQRQC-BJKOFHAPSA-N 2 2 384.564 3.581 20 0 GHADLP COc1cc(C[NH+]2CCC(Oc3cccc(C)n3)CC2)ccc1-n1cc[nH+]c1 ZINC001234084013 1039820171 /nfs/dbraw/zinc/82/01/71/1039820171.db2.gz ABVCORWJVOGULP-UHFFFAOYSA-N 2 2 378.476 3.628 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254194923 1040045444 /nfs/dbraw/zinc/04/54/44/1040045444.db2.gz ZAZUEALOFIOSFO-GUDVDZBRSA-N 2 2 388.556 3.948 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](C4CCC(F)(F)CC4)CC[C@@H]3C2)cs1 ZINC001254221528 1040075698 /nfs/dbraw/zinc/07/56/98/1040075698.db2.gz SYCQJDJGWRMWAI-CRAIPNDOSA-N 2 2 385.524 3.552 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](C4CCC(F)(F)CC4)CC[C@@H]3C2)cs1 ZINC001254221528 1040075717 /nfs/dbraw/zinc/07/57/17/1040075717.db2.gz SYCQJDJGWRMWAI-CRAIPNDOSA-N 2 2 385.524 3.552 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](C4CCC(F)(F)CC4)CC[C@@H]3C2)cs1 ZINC001254221528 1040075724 /nfs/dbraw/zinc/07/57/24/1040075724.db2.gz SYCQJDJGWRMWAI-CRAIPNDOSA-N 2 2 385.524 3.552 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](C4CCC(F)(F)CC4)CC[C@@H]3C2)cs1 ZINC001254221528 1040075738 /nfs/dbraw/zinc/07/57/38/1040075738.db2.gz SYCQJDJGWRMWAI-CRAIPNDOSA-N 2 2 385.524 3.552 20 0 GHADLP OC[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1cccc(Oc3cc(Cl)cc(Cl)c3)c1)C2 ZINC001235000214 1040494233 /nfs/dbraw/zinc/49/42/33/1040494233.db2.gz BTMVPQMADADMHO-QRWLVFNGSA-N 2 2 393.314 3.799 20 0 GHADLP OC[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1cccc(Oc3cc(Cl)cc(Cl)c3)c1)C2 ZINC001235000214 1040494242 /nfs/dbraw/zinc/49/42/42/1040494242.db2.gz BTMVPQMADADMHO-QRWLVFNGSA-N 2 2 393.314 3.799 20 0 GHADLP OCC[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235016778 1040505658 /nfs/dbraw/zinc/50/56/58/1040505658.db2.gz BXDJPISORODNNV-UHFFFAOYSA-N 2 2 386.293 3.629 20 0 GHADLP OCC[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235016778 1040505676 /nfs/dbraw/zinc/50/56/76/1040505676.db2.gz BXDJPISORODNNV-UHFFFAOYSA-N 2 2 386.293 3.629 20 0 GHADLP Fc1ccccc1-c1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c[nH]1 ZINC001235036894 1040529045 /nfs/dbraw/zinc/52/90/45/1040529045.db2.gz ACCRRRUXPDRCFW-RTBURBONSA-N 2 2 376.479 3.780 20 0 GHADLP CC(C)Oc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(Br)cn1 ZINC001235038675 1040530892 /nfs/dbraw/zinc/53/08/92/1040530892.db2.gz KVJHWPSQKKMHKC-SFHVURJKSA-N 2 2 382.346 3.739 20 0 GHADLP CC(C)Oc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(Br)cn1 ZINC001235038675 1040530912 /nfs/dbraw/zinc/53/09/12/1040530912.db2.gz KVJHWPSQKKMHKC-SFHVURJKSA-N 2 2 382.346 3.739 20 0 GHADLP FC(F)(F)c1cccc(-n2cc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)cn2)c1 ZINC001235040444 1040534470 /nfs/dbraw/zinc/53/44/70/1040534470.db2.gz SIBCMHXTTHQJJZ-IBGZPJMESA-N 2 2 378.442 3.999 20 0 GHADLP FC(F)(F)c1cccc(-n2cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)cn2)c1 ZINC001235040444 1040534485 /nfs/dbraw/zinc/53/44/85/1040534485.db2.gz SIBCMHXTTHQJJZ-IBGZPJMESA-N 2 2 378.442 3.999 20 0 GHADLP Cc1[nH+]cn(C2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)c1CC[NH3+] ZINC001254788678 1040547317 /nfs/dbraw/zinc/54/73/17/1040547317.db2.gz BOGHOOFCQLFVNZ-UHFFFAOYSA-N 2 2 376.545 3.825 20 0 GHADLP FC(F)(F)c1ccc(Oc2ccc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC001235065063 1040556170 /nfs/dbraw/zinc/55/61/70/1040556170.db2.gz ZYRGLILIOSMJHY-FQEVSTJZSA-N 2 2 391.437 3.635 20 0 GHADLP FC(F)(F)c1ccc(Oc2ccc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC001235065063 1040556188 /nfs/dbraw/zinc/55/61/88/1040556188.db2.gz ZYRGLILIOSMJHY-FQEVSTJZSA-N 2 2 391.437 3.635 20 0 GHADLP FC(F)(F)c1cccnc1-c1ccc(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC001235113207 1040599581 /nfs/dbraw/zinc/59/95/81/1040599581.db2.gz AGOWUMPDBCZFGE-FQEVSTJZSA-N 2 2 391.437 3.722 20 0 GHADLP FC(F)(F)c1cccnc1-c1ccc(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC001235113207 1040599588 /nfs/dbraw/zinc/59/95/88/1040599588.db2.gz AGOWUMPDBCZFGE-FQEVSTJZSA-N 2 2 391.437 3.722 20 0 GHADLP CCOC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccnc1 ZINC001255129491 1040822452 /nfs/dbraw/zinc/82/24/52/1040822452.db2.gz ZSBDGWFRICVJIN-BXXSPATCSA-N 2 2 393.531 3.861 20 0 GHADLP CCOC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccnc1 ZINC001255129491 1040822466 /nfs/dbraw/zinc/82/24/66/1040822466.db2.gz ZSBDGWFRICVJIN-BXXSPATCSA-N 2 2 393.531 3.861 20 0 GHADLP c1nc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1Cc1ccncc1 ZINC001255133031 1040830742 /nfs/dbraw/zinc/83/07/42/1040830742.db2.gz OMGVWRTUAJGSAC-ULPXVVAUSA-N 2 2 387.531 3.612 20 0 GHADLP c1nc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1Cc1ccncc1 ZINC001255133031 1040830763 /nfs/dbraw/zinc/83/07/63/1040830763.db2.gz OMGVWRTUAJGSAC-ULPXVVAUSA-N 2 2 387.531 3.612 20 0 GHADLP COc1ccc2c(C[N@@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)c[nH]c2c1 ZINC001235365782 1040858484 /nfs/dbraw/zinc/85/84/84/1040858484.db2.gz PJCYBOGBHQCNIQ-HYBUGGRVSA-N 2 2 375.516 3.930 20 0 GHADLP COc1ccc2c(C[N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)c[nH]c2c1 ZINC001235365782 1040858517 /nfs/dbraw/zinc/85/85/17/1040858517.db2.gz PJCYBOGBHQCNIQ-HYBUGGRVSA-N 2 2 375.516 3.930 20 0 GHADLP FC(F)(F)c1cccnc1C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235368160 1040867390 /nfs/dbraw/zinc/86/73/90/1040867390.db2.gz ITALKBZYGKHYGO-YLJYHZDGSA-N 2 2 375.438 3.854 20 0 GHADLP FC(F)(F)c1cccnc1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235368160 1040867408 /nfs/dbraw/zinc/86/74/08/1040867408.db2.gz ITALKBZYGKHYGO-YLJYHZDGSA-N 2 2 375.438 3.854 20 0 GHADLP COC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235376382 1040886231 /nfs/dbraw/zinc/88/62/31/1040886231.db2.gz ZLTJEGBMISFMLT-IRLDBZIGSA-N 2 2 384.907 3.706 20 0 GHADLP COC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235376382 1040886242 /nfs/dbraw/zinc/88/62/42/1040886242.db2.gz ZLTJEGBMISFMLT-IRLDBZIGSA-N 2 2 384.907 3.706 20 0 GHADLP CCOC(=O)C1CCC([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)CC1 ZINC001255253679 1040928154 /nfs/dbraw/zinc/92/81/54/1040928154.db2.gz PWWBNZCXYBTKEK-UHFFFAOYSA-N 2 2 376.516 3.810 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)C[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255400302 1040986209 /nfs/dbraw/zinc/98/62/09/1040986209.db2.gz HXLQMPUAVKSASR-HXUWFJFHSA-N 2 2 385.552 3.594 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)C[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255400302 1040986210 /nfs/dbraw/zinc/98/62/10/1040986210.db2.gz HXLQMPUAVKSASR-HXUWFJFHSA-N 2 2 385.552 3.594 20 0 GHADLP COc1ccccc1CN1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255405354 1040993127 /nfs/dbraw/zinc/99/31/27/1040993127.db2.gz WJFIUMHQDPYMEX-DEOSSOPVSA-N 2 2 393.575 3.868 20 0 GHADLP COc1ccccc1CN1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255405354 1040993129 /nfs/dbraw/zinc/99/31/29/1040993129.db2.gz WJFIUMHQDPYMEX-DEOSSOPVSA-N 2 2 393.575 3.868 20 0 GHADLP COC(=O)c1cccc2c1C[N@@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)CC2 ZINC001255408988 1040995863 /nfs/dbraw/zinc/99/58/63/1040995863.db2.gz RNNMUVIBGPROLF-OAQYLSRUSA-N 2 2 378.516 3.886 20 0 GHADLP COC(=O)c1cccc2c1C[N@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)CC2 ZINC001255408988 1040995865 /nfs/dbraw/zinc/99/58/65/1040995865.db2.gz RNNMUVIBGPROLF-OAQYLSRUSA-N 2 2 378.516 3.886 20 0 GHADLP COC(=O)c1cccc2c1C[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255408988 1040995866 /nfs/dbraw/zinc/99/58/66/1040995866.db2.gz RNNMUVIBGPROLF-OAQYLSRUSA-N 2 2 378.516 3.886 20 0 GHADLP COC(=O)c1cccc2c1C[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255408988 1040995867 /nfs/dbraw/zinc/99/58/67/1040995867.db2.gz RNNMUVIBGPROLF-OAQYLSRUSA-N 2 2 378.516 3.886 20 0 GHADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001255594206 1041152904 /nfs/dbraw/zinc/15/29/04/1041152904.db2.gz OXPDINVHGMXIQO-IBGZPJMESA-N 2 2 391.531 3.698 20 0 GHADLP Clc1ccc(CO[C@@H]2CC[N@@H+](Cc3nc4c(s3)C[NH2+]CC4)C2)c(Cl)c1 ZINC001235710746 1041191141 /nfs/dbraw/zinc/19/11/41/1041191141.db2.gz SBWDFHXHSZCQMZ-CQSZACIVSA-N 2 2 398.359 3.887 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H](C)CSc3ccc(C)cc3)C2)C1 ZINC001255766358 1041282438 /nfs/dbraw/zinc/28/24/38/1041282438.db2.gz QQMHDYZZYQLNHO-IFMALSPDSA-N 2 2 392.609 3.536 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@H](C)CSc3ccc(C)cc3)C2)C1 ZINC001255766358 1041282445 /nfs/dbraw/zinc/28/24/45/1041282445.db2.gz QQMHDYZZYQLNHO-IFMALSPDSA-N 2 2 392.609 3.536 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H](C)CSc3ccc(C)cc3)C2)C1 ZINC001255766358 1041282454 /nfs/dbraw/zinc/28/24/54/1041282454.db2.gz QQMHDYZZYQLNHO-IFMALSPDSA-N 2 2 392.609 3.536 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@H](C)CSc3ccc(C)cc3)C2)C1 ZINC001255766358 1041282462 /nfs/dbraw/zinc/28/24/62/1041282462.db2.gz QQMHDYZZYQLNHO-IFMALSPDSA-N 2 2 392.609 3.536 20 0 GHADLP Cc1nc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)ccc1Br ZINC001278889699 1041340658 /nfs/dbraw/zinc/34/06/58/1041340658.db2.gz DPTQDTZKTCQLQV-UHFFFAOYSA-N 2 2 378.358 3.993 20 0 GHADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(OC(c3ccccc3)c3ccccc3)CC2)O1 ZINC001235833455 1041356091 /nfs/dbraw/zinc/35/60/91/1041356091.db2.gz DVNWUABTYBKFJF-QFIPXVFZSA-N 2 2 380.532 3.982 20 0 GHADLP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236013080 1041505765 /nfs/dbraw/zinc/50/57/65/1041505765.db2.gz VQJPMFSLICJRPS-XLIONFOSSA-N 2 2 392.421 3.567 20 0 GHADLP COc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236013080 1041505772 /nfs/dbraw/zinc/50/57/72/1041505772.db2.gz VQJPMFSLICJRPS-XLIONFOSSA-N 2 2 392.421 3.567 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@]12CCC[N@@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256076300 1041510030 /nfs/dbraw/zinc/51/00/30/1041510030.db2.gz XMQQOEGDOJMDDK-JOCHJYFZSA-N 2 2 377.573 3.869 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@]12CCC[N@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256076300 1041510034 /nfs/dbraw/zinc/51/00/34/1041510034.db2.gz XMQQOEGDOJMDDK-JOCHJYFZSA-N 2 2 377.573 3.869 20 0 GHADLP Fc1ccc([C@@H]2C[N@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)CCO2)cc1F ZINC001236069815 1041520648 /nfs/dbraw/zinc/52/06/48/1041520648.db2.gz GNTPTUUUYFRMME-NRFANRHFSA-N 2 2 383.442 3.596 20 0 GHADLP Fc1ccc([C@@H]2C[N@@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)CCO2)cc1F ZINC001236069815 1041520658 /nfs/dbraw/zinc/52/06/58/1041520658.db2.gz GNTPTUUUYFRMME-NRFANRHFSA-N 2 2 383.442 3.596 20 0 GHADLP COc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc(OCc2ccccc2)c1OC ZINC001236217222 1041625511 /nfs/dbraw/zinc/62/55/11/1041625511.db2.gz OFEUPZKAVJJXBI-PMACEKPBSA-N 2 2 384.520 3.985 20 0 GHADLP COc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc(OCc2ccccc2)c1OC ZINC001236217222 1041625528 /nfs/dbraw/zinc/62/55/28/1041625528.db2.gz OFEUPZKAVJJXBI-PMACEKPBSA-N 2 2 384.520 3.985 20 0 GHADLP COc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc(OC)c1OCc1ccccc1 ZINC001236219355 1041627719 /nfs/dbraw/zinc/62/77/19/1041627719.db2.gz VLFDEHVOZFKQQV-PMACEKPBSA-N 2 2 384.520 3.985 20 0 GHADLP COc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc(OC)c1OCc1ccccc1 ZINC001236219355 1041627724 /nfs/dbraw/zinc/62/77/24/1041627724.db2.gz VLFDEHVOZFKQQV-PMACEKPBSA-N 2 2 384.520 3.985 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256201288 1041646539 /nfs/dbraw/zinc/64/65/39/1041646539.db2.gz CBUBBBNNIRFVKB-IYARVYRRSA-N 3 2 380.374 3.615 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256201288 1041646551 /nfs/dbraw/zinc/64/65/51/1041646551.db2.gz CBUBBBNNIRFVKB-IYARVYRRSA-N 3 2 380.374 3.615 20 0 GHADLP COc1ccc(Br)nc1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001278919277 1041648794 /nfs/dbraw/zinc/64/87/94/1041648794.db2.gz NXQCNKKNEKMSSQ-UHFFFAOYSA-N 2 2 394.357 3.693 20 0 GHADLP COc1cc(CN(Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)ccc1-n1cc[nH+]c1 ZINC001236388071 1041693252 /nfs/dbraw/zinc/69/32/52/1041693252.db2.gz BTPAANHMJAPISF-NRFANRHFSA-N 2 2 394.494 3.774 20 0 GHADLP CCOC(=O)[C@H]1CC[C@H](C[N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001236389665 1041695372 /nfs/dbraw/zinc/69/53/72/1041695372.db2.gz BWOCUSFKDDIKQZ-YFVAEKQCSA-N 2 2 376.516 3.749 20 0 GHADLP CCOC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001236389665 1041695373 /nfs/dbraw/zinc/69/53/73/1041695373.db2.gz BWOCUSFKDDIKQZ-YFVAEKQCSA-N 2 2 376.516 3.749 20 0 GHADLP Oc1cc(C[N@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)ccc1OC(F)F ZINC001236404725 1041702467 /nfs/dbraw/zinc/70/24/67/1041702467.db2.gz SKDDFCLBANQHRO-UHFFFAOYSA-N 2 2 380.410 3.887 20 0 GHADLP Oc1cc(C[N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)ccc1OC(F)F ZINC001236404725 1041702475 /nfs/dbraw/zinc/70/24/75/1041702475.db2.gz SKDDFCLBANQHRO-UHFFFAOYSA-N 2 2 380.410 3.887 20 0 GHADLP C[C@H](Cc1ccccn1)[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001256413592 1041723470 /nfs/dbraw/zinc/72/34/70/1041723470.db2.gz AZADLPRUMVPKQX-GOSISDBHSA-N 2 2 376.504 3.691 20 0 GHADLP C[C@H](Cc1ccccn1)[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001256413592 1041723472 /nfs/dbraw/zinc/72/34/72/1041723472.db2.gz AZADLPRUMVPKQX-GOSISDBHSA-N 2 2 376.504 3.691 20 0 GHADLP C[C@H](Cc1ccccn1)[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001256413592 1041723477 /nfs/dbraw/zinc/72/34/77/1041723477.db2.gz AZADLPRUMVPKQX-GOSISDBHSA-N 2 2 376.504 3.691 20 0 GHADLP C[C@H](Cc1ccccn1)[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001256413592 1041723484 /nfs/dbraw/zinc/72/34/84/1041723484.db2.gz AZADLPRUMVPKQX-GOSISDBHSA-N 2 2 376.504 3.691 20 0 GHADLP COc1cc(Br)c2cc(C[N@H+](CC(C)C)[C@@H]3CCC[NH2+]C3)[nH]c2n1 ZINC001236478342 1041732949 /nfs/dbraw/zinc/73/29/49/1041732949.db2.gz DQCLVVDSFCBTIO-CQSZACIVSA-N 2 2 395.345 3.544 20 0 GHADLP COc1cc(Br)c2cc(C[N@@H+](CC(C)C)[C@@H]3CCC[NH2+]C3)[nH]c2n1 ZINC001236478342 1041732952 /nfs/dbraw/zinc/73/29/52/1041732952.db2.gz DQCLVVDSFCBTIO-CQSZACIVSA-N 2 2 395.345 3.544 20 0 GHADLP CCOC1CCC([N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)CC1 ZINC001256440810 1041733092 /nfs/dbraw/zinc/73/30/92/1041733092.db2.gz HOQQSNCJTPZJGB-XVAXZDLZSA-N 2 2 393.522 3.962 20 0 GHADLP CCOC1CCC([N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)CC1 ZINC001256440810 1041733099 /nfs/dbraw/zinc/73/30/99/1041733099.db2.gz HOQQSNCJTPZJGB-XVAXZDLZSA-N 2 2 393.522 3.962 20 0 GHADLP CCOC1CCC([NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)CC1 ZINC001256440810 1041733109 /nfs/dbraw/zinc/73/31/09/1041733109.db2.gz HOQQSNCJTPZJGB-XVAXZDLZSA-N 2 2 393.522 3.962 20 0 GHADLP CCOC1CCC([NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CC1 ZINC001256440810 1041733112 /nfs/dbraw/zinc/73/31/12/1041733112.db2.gz HOQQSNCJTPZJGB-XVAXZDLZSA-N 2 2 393.522 3.962 20 0 GHADLP CCOc1cc(C[N@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)ccc1O ZINC001236500055 1041741003 /nfs/dbraw/zinc/74/10/03/1041741003.db2.gz JUCIVXWWCPMSKI-UHFFFAOYSA-N 2 2 376.447 3.823 20 0 GHADLP CCOc1cc(C[N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)ccc1O ZINC001236500055 1041741010 /nfs/dbraw/zinc/74/10/10/1041741010.db2.gz JUCIVXWWCPMSKI-UHFFFAOYSA-N 2 2 376.447 3.823 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001236915352 1041955535 /nfs/dbraw/zinc/95/55/35/1041955535.db2.gz AZRHEMQOCQCDOF-SFTDATJTSA-N 2 2 378.907 3.984 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001236915352 1041955540 /nfs/dbraw/zinc/95/55/40/1041955540.db2.gz AZRHEMQOCQCDOF-SFTDATJTSA-N 2 2 378.907 3.984 20 0 GHADLP COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236916521 1041956579 /nfs/dbraw/zinc/95/65/79/1041956579.db2.gz FJCCTTJJWWQRFM-DYESRHJHSA-N 2 2 389.927 3.933 20 0 GHADLP COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236916521 1041956582 /nfs/dbraw/zinc/95/65/82/1041956582.db2.gz FJCCTTJJWWQRFM-DYESRHJHSA-N 2 2 389.927 3.933 20 0 GHADLP O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2Cl)N1CC1CC1 ZINC001236916618 1041957149 /nfs/dbraw/zinc/95/71/49/1041957149.db2.gz LTJXZIAGQRWQNQ-PMACEKPBSA-N 2 2 384.911 3.501 20 0 GHADLP O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2Cl)N1CC1CC1 ZINC001236916618 1041957154 /nfs/dbraw/zinc/95/71/54/1041957154.db2.gz LTJXZIAGQRWQNQ-PMACEKPBSA-N 2 2 384.911 3.501 20 0 GHADLP COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)n1 ZINC001236919348 1041958731 /nfs/dbraw/zinc/95/87/31/1041958731.db2.gz NVWNZUPLQBDEIC-GOSISDBHSA-N 2 2 398.894 3.973 20 0 GHADLP COc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)n1 ZINC001236919348 1041958733 /nfs/dbraw/zinc/95/87/33/1041958733.db2.gz NVWNZUPLQBDEIC-GOSISDBHSA-N 2 2 398.894 3.973 20 0 GHADLP CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@H]1C ZINC001236930281 1041962904 /nfs/dbraw/zinc/96/29/04/1041962904.db2.gz ZFIGPNVCXODDDY-CVEARBPZSA-N 2 2 375.900 3.937 20 0 GHADLP CCOC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@H]1C ZINC001236930281 1041962908 /nfs/dbraw/zinc/96/29/08/1041962908.db2.gz ZFIGPNVCXODDDY-CVEARBPZSA-N 2 2 375.900 3.937 20 0 GHADLP COCCC[N@H+](Cc1ccc(N(C)c2ccccc2OC)cc1)[C@H]1CC[NH2+]C1 ZINC001236947858 1041967584 /nfs/dbraw/zinc/96/75/84/1041967584.db2.gz UNWOPWURQWIQOR-NRFANRHFSA-N 2 2 383.536 3.664 20 0 GHADLP COCCC[N@@H+](Cc1ccc(N(C)c2ccccc2OC)cc1)[C@H]1CC[NH2+]C1 ZINC001236947858 1041967586 /nfs/dbraw/zinc/96/75/86/1041967586.db2.gz UNWOPWURQWIQOR-NRFANRHFSA-N 2 2 383.536 3.664 20 0 GHADLP Fc1ccc(-c2cncc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c2)cc1 ZINC001236999491 1041985089 /nfs/dbraw/zinc/98/50/89/1041985089.db2.gz HNHARBRUZMUXIG-GOTSBHOMSA-N 2 2 388.490 3.847 20 0 GHADLP Clc1ccc(-c2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cn2)cc1 ZINC001237018692 1041992849 /nfs/dbraw/zinc/99/28/49/1041992849.db2.gz DVOUFODHAOAFDQ-UHFFFAOYSA-N 2 2 384.955 3.615 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c(OCc2ccccc2)cc1OC ZINC001237059781 1042015333 /nfs/dbraw/zinc/01/53/33/1042015333.db2.gz VHEWMBRHYRWAME-QHCPKHFHSA-N 2 2 384.520 3.844 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c(OCc2ccccc2)cc1OC ZINC001237059781 1042015338 /nfs/dbraw/zinc/01/53/38/1042015338.db2.gz VHEWMBRHYRWAME-QHCPKHFHSA-N 2 2 384.520 3.844 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)cc(OCc2ccccc2)c1OC ZINC001237080738 1042026534 /nfs/dbraw/zinc/02/65/34/1042026534.db2.gz IIPAFLCYNMWSFR-QHCPKHFHSA-N 2 2 384.520 3.844 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc(OCc2ccccc2)c1OC ZINC001237080738 1042026540 /nfs/dbraw/zinc/02/65/40/1042026540.db2.gz IIPAFLCYNMWSFR-QHCPKHFHSA-N 2 2 384.520 3.844 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(F)c(N4CCCC4)c3)C2)C1 ZINC001237099114 1042034485 /nfs/dbraw/zinc/03/44/85/1042034485.db2.gz PTUQRBWAMNESRD-HSZRJFAPSA-N 2 2 389.559 3.749 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(F)c(N4CCCC4)c3)C2)C1 ZINC001237099114 1042034491 /nfs/dbraw/zinc/03/44/91/1042034491.db2.gz PTUQRBWAMNESRD-HSZRJFAPSA-N 2 2 389.559 3.749 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(F)c(N4CCCC4)c3)C2)C1 ZINC001237099114 1042034498 /nfs/dbraw/zinc/03/44/98/1042034498.db2.gz PTUQRBWAMNESRD-HSZRJFAPSA-N 2 2 389.559 3.749 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(F)c(N4CCCC4)c3)C2)C1 ZINC001237099114 1042034506 /nfs/dbraw/zinc/03/45/06/1042034506.db2.gz PTUQRBWAMNESRD-HSZRJFAPSA-N 2 2 389.559 3.749 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCN(c2ccc(F)c(Cl)c2Cl)CC1 ZINC001237192032 1042087060 /nfs/dbraw/zinc/08/70/60/1042087060.db2.gz RSCWXUMYMUKVJX-VXGBXAGGSA-N 2 2 396.284 3.745 20 0 GHADLP Clc1ccc2c(c1)[C@H]1C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC[C@H]1N2 ZINC001237233826 1042099327 /nfs/dbraw/zinc/09/93/27/1042099327.db2.gz LROXPMYDJCQJNV-FYYLOGMGSA-N 2 2 397.950 3.956 20 0 GHADLP Clc1ccc2c(c1)[C@H]1C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC[C@H]1N2 ZINC001237233826 1042099333 /nfs/dbraw/zinc/09/93/33/1042099333.db2.gz LROXPMYDJCQJNV-FYYLOGMGSA-N 2 2 397.950 3.956 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cccc4c(F)cccc34)C2)C1 ZINC001237512865 1042244611 /nfs/dbraw/zinc/24/46/11/1042244611.db2.gz GDZARBXTJBZSJY-HSZRJFAPSA-N 2 2 386.511 3.540 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cccc4c(F)cccc34)C2)C1 ZINC001237512865 1042244613 /nfs/dbraw/zinc/24/46/13/1042244613.db2.gz GDZARBXTJBZSJY-HSZRJFAPSA-N 2 2 386.511 3.540 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cccc4c(F)cccc34)C2)C1 ZINC001237512865 1042244614 /nfs/dbraw/zinc/24/46/14/1042244614.db2.gz GDZARBXTJBZSJY-HSZRJFAPSA-N 2 2 386.511 3.540 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cccc4c(F)cccc34)C2)C1 ZINC001237512865 1042244615 /nfs/dbraw/zinc/24/46/15/1042244615.db2.gz GDZARBXTJBZSJY-HSZRJFAPSA-N 2 2 386.511 3.540 20 0 GHADLP Clc1ncnc2ccc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc12 ZINC001237584559 1042273413 /nfs/dbraw/zinc/27/34/13/1042273413.db2.gz KODNYFJLYCEAAM-OALUTQOASA-N 2 2 378.907 3.847 20 0 GHADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1c[nH]c2ncc(Br)nc12 ZINC001237853221 1042396408 /nfs/dbraw/zinc/39/64/08/1042396408.db2.gz BRJCGNKLTUOWTE-LSDHHAIUSA-N 2 2 392.345 3.559 20 0 GHADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1c[nH]c2ncc(Br)nc12 ZINC001237853221 1042396413 /nfs/dbraw/zinc/39/64/13/1042396413.db2.gz BRJCGNKLTUOWTE-LSDHHAIUSA-N 2 2 392.345 3.559 20 0 GHADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1c[nH]c2ncc(Br)nc12 ZINC001237853221 1042396415 /nfs/dbraw/zinc/39/64/15/1042396415.db2.gz BRJCGNKLTUOWTE-LSDHHAIUSA-N 2 2 392.345 3.559 20 0 GHADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1c[nH]c2ncc(Br)nc12 ZINC001237853221 1042396416 /nfs/dbraw/zinc/39/64/16/1042396416.db2.gz BRJCGNKLTUOWTE-LSDHHAIUSA-N 2 2 392.345 3.559 20 0 GHADLP COCC[N@H+](Cc1cc(F)cc(OCc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001238388009 1042580244 /nfs/dbraw/zinc/58/02/44/1042580244.db2.gz SJIXIOGHCCNFJZ-UHFFFAOYSA-N 2 2 386.511 3.947 20 0 GHADLP COCC[N@@H+](Cc1cc(F)cc(OCc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001238388009 1042580245 /nfs/dbraw/zinc/58/02/45/1042580245.db2.gz SJIXIOGHCCNFJZ-UHFFFAOYSA-N 2 2 386.511 3.947 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC(C)C)cc1F)C2 ZINC001238439825 1042596589 /nfs/dbraw/zinc/59/65/89/1042596589.db2.gz DPMPSTQHMINXLF-REWPJTCUSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC(C)C)cc1F)C2 ZINC001238439825 1042596593 /nfs/dbraw/zinc/59/65/93/1042596593.db2.gz DPMPSTQHMINXLF-REWPJTCUSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OC(C)C)cc1F)C2 ZINC001238439825 1042596596 /nfs/dbraw/zinc/59/65/96/1042596596.db2.gz DPMPSTQHMINXLF-REWPJTCUSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OC(C)C)cc1F)C2 ZINC001238439825 1042596600 /nfs/dbraw/zinc/59/66/00/1042596600.db2.gz DPMPSTQHMINXLF-REWPJTCUSA-N 2 2 390.543 3.793 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(C(=O)NCc4ccccc4)cc3)c2)C1 ZINC001239909757 1042861218 /nfs/dbraw/zinc/86/12/18/1042861218.db2.gz AAHNKLBBQULJRK-DEOSSOPVSA-N 2 2 385.511 3.817 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(C(=O)NCc4ccccc4)cc3)c2)C1 ZINC001239909757 1042861220 /nfs/dbraw/zinc/86/12/20/1042861220.db2.gz AAHNKLBBQULJRK-DEOSSOPVSA-N 2 2 385.511 3.817 20 0 GHADLP CN1CC[NH+](C2(c3ccc(-c4cc(N)c(C(F)(F)F)c[nH+]4)cc3)CC2)CC1 ZINC001240573272 1042941831 /nfs/dbraw/zinc/94/18/31/1042941831.db2.gz YKBVRRPCRHLPNR-UHFFFAOYSA-N 2 2 376.426 3.586 20 0 GHADLP C[NH+]1CCN(c2ccc(-c3ccc(-c4ccc(-n5cc[nH+]c5)cc4)nn3)cc2)CC1 ZINC001240851400 1042958559 /nfs/dbraw/zinc/95/85/59/1042958559.db2.gz DJUFPTBILPAZTB-UHFFFAOYSA-N 2 2 396.498 3.748 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(OC3CCOCC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC001256534626 1043470374 /nfs/dbraw/zinc/47/03/74/1043470374.db2.gz SWASBYKXYSDYTL-PZJWPPBQSA-N 2 2 395.547 3.782 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(OC3CCOCC3)n2)CC[N@H+]1Cc1ccccc1 ZINC001256534626 1043470384 /nfs/dbraw/zinc/47/03/84/1043470384.db2.gz SWASBYKXYSDYTL-PZJWPPBQSA-N 2 2 395.547 3.782 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCCN(Cc3ccncc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256538388 1043484445 /nfs/dbraw/zinc/48/44/45/1043484445.db2.gz SRTMSMCQWOHINA-XUZZJYLKSA-N 2 2 378.564 3.642 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCCN(Cc3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538388 1043484456 /nfs/dbraw/zinc/48/44/56/1043484456.db2.gz SRTMSMCQWOHINA-XUZZJYLKSA-N 2 2 378.564 3.642 20 0 GHADLP C[C@H]1C[C@H]([N@@H+]2CCCN(Cc3ccncc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256538388 1043484464 /nfs/dbraw/zinc/48/44/64/1043484464.db2.gz SRTMSMCQWOHINA-XUZZJYLKSA-N 2 2 378.564 3.642 20 0 GHADLP C[C@H]1C[C@H]([N@H+]2CCCN(Cc3ccncc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256538388 1043484474 /nfs/dbraw/zinc/48/44/74/1043484474.db2.gz SRTMSMCQWOHINA-XUZZJYLKSA-N 2 2 378.564 3.642 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256543206 1043496531 /nfs/dbraw/zinc/49/65/31/1043496531.db2.gz RZXSAYATGGWPKL-CTNGQTDRSA-N 2 2 399.579 3.982 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001256543206 1043496540 /nfs/dbraw/zinc/49/65/40/1043496540.db2.gz RZXSAYATGGWPKL-CTNGQTDRSA-N 2 2 399.579 3.982 20 0 GHADLP Cc1noc([C@@H]2C[C@@H]3CC[NH+]([C@H]4CC[N@H+](Cc5ccccc5)[C@H](C)C4)C[C@H]3O2)n1 ZINC001256544681 1043498177 /nfs/dbraw/zinc/49/81/77/1043498177.db2.gz NNWYXEWKZCOYJR-MSOXQGRFSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@@H]2C[C@@H]3CC[NH+]([C@H]4CC[N@@H+](Cc5ccccc5)[C@H](C)C4)C[C@H]3O2)n1 ZINC001256544681 1043498185 /nfs/dbraw/zinc/49/81/85/1043498185.db2.gz NNWYXEWKZCOYJR-MSOXQGRFSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@@H]2C[C@@H]3CC[N@@H+]([C@H]4CC[NH+](Cc5ccccc5)[C@H](C)C4)C[C@H]3O2)n1 ZINC001256544681 1043498202 /nfs/dbraw/zinc/49/82/02/1043498202.db2.gz NNWYXEWKZCOYJR-MSOXQGRFSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@@H]2C[C@@H]3CC[N@H+]([C@H]4CC[NH+](Cc5ccccc5)[C@H](C)C4)C[C@H]3O2)n1 ZINC001256544681 1043498211 /nfs/dbraw/zinc/49/82/11/1043498211.db2.gz NNWYXEWKZCOYJR-MSOXQGRFSA-N 2 2 396.535 3.583 20 0 GHADLP COC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256543611 1043498366 /nfs/dbraw/zinc/49/83/66/1043498366.db2.gz UIQDBIYABRTEKY-UNMCSNQZSA-N 2 2 399.579 3.984 20 0 GHADLP COC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256543611 1043498371 /nfs/dbraw/zinc/49/83/71/1043498371.db2.gz UIQDBIYABRTEKY-UNMCSNQZSA-N 2 2 399.579 3.984 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@]3(CCN(CC4CC4)C3=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256545574 1043503260 /nfs/dbraw/zinc/50/32/60/1043503260.db2.gz GCCGZOROVLCICB-PBXXJUDPSA-N 2 2 395.591 3.764 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@]3(CCN(CC4CC4)C3=O)C2)CC[N@H+]1Cc1ccccc1 ZINC001256545574 1043503276 /nfs/dbraw/zinc/50/32/76/1043503276.db2.gz GCCGZOROVLCICB-PBXXJUDPSA-N 2 2 395.591 3.764 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@]3(CCN(CC4CC4)C3=O)C2)CC[NH+]1Cc1ccccc1 ZINC001256545574 1043503297 /nfs/dbraw/zinc/50/32/97/1043503297.db2.gz GCCGZOROVLCICB-PBXXJUDPSA-N 2 2 395.591 3.764 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCN(CC4CC4)C3=O)C2)CC[NH+]1Cc1ccccc1 ZINC001256545574 1043503316 /nfs/dbraw/zinc/50/33/16/1043503316.db2.gz GCCGZOROVLCICB-PBXXJUDPSA-N 2 2 395.591 3.764 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256554108 1043522911 /nfs/dbraw/zinc/52/29/11/1043522911.db2.gz NRJWQRJAZZZRSU-GHTZIAJQSA-N 2 2 384.955 3.910 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256554108 1043522920 /nfs/dbraw/zinc/52/29/20/1043522920.db2.gz NRJWQRJAZZZRSU-GHTZIAJQSA-N 2 2 384.955 3.910 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCC3(CC2)OC(=O)c2ncccc23)CC[N@@H+]1Cc1ccccc1 ZINC001256559320 1043534485 /nfs/dbraw/zinc/53/44/85/1043534485.db2.gz KUGJOEFMKLUBKE-AZUAARDMSA-N 2 2 391.515 3.596 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCC3(CC2)OC(=O)c2ncccc23)CC[N@H+]1Cc1ccccc1 ZINC001256559320 1043534489 /nfs/dbraw/zinc/53/44/89/1043534489.db2.gz KUGJOEFMKLUBKE-AZUAARDMSA-N 2 2 391.515 3.596 20 0 GHADLP C[C@H](c1ccc(F)cc1)[NH+]1CCN(C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC001256597149 1043562175 /nfs/dbraw/zinc/56/21/75/1043562175.db2.gz ZYHFMYQPUIBHKG-LJQANCHMSA-N 2 2 382.527 3.564 20 0 GHADLP c1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3OC3CCOCC3)CC2)cc1 ZINC001256601014 1043564258 /nfs/dbraw/zinc/56/42/58/1043564258.db2.gz LAKKYSFBOQEXBV-UHFFFAOYSA-N 2 2 380.532 3.999 20 0 GHADLP O=C(C1CCCCC1)N1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256610286 1043574521 /nfs/dbraw/zinc/57/45/21/1043574521.db2.gz AXOIIVSQBVCFSM-UHFFFAOYSA-N 2 2 383.580 3.766 20 0 GHADLP O=C(C1CCCCC1)N1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256610286 1043574529 /nfs/dbraw/zinc/57/45/29/1043574529.db2.gz AXOIIVSQBVCFSM-UHFFFAOYSA-N 2 2 383.580 3.766 20 0 GHADLP O=C1OC2(CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)c2ccccc21 ZINC001256611413 1043575871 /nfs/dbraw/zinc/57/58/71/1043575871.db2.gz RVZDGXYVQSAVEP-UHFFFAOYSA-N 2 2 376.500 3.813 20 0 GHADLP O=C(NC1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1)C1CCCCC1 ZINC001256613469 1043577517 /nfs/dbraw/zinc/57/75/17/1043577517.db2.gz NKYHMNYVQWYHBF-UHFFFAOYSA-N 2 2 383.580 3.812 20 0 GHADLP [NH3+][C@H](c1ccccc1)[C@H]([NH2+]C1CCC([NH+]2CCOCC2)CC1)c1ccccc1 ZINC001256678686 1043617009 /nfs/dbraw/zinc/61/70/09/1043617009.db2.gz YXMKIZGMAIHKRC-SNDHGLFQSA-N 3 2 379.548 3.661 20 0 GHADLP Cn1cc[nH+]c1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC001256941486 1043764148 /nfs/dbraw/zinc/76/41/48/1043764148.db2.gz UCPHABFPGUFNRJ-RBUKOAKNSA-N 2 2 384.524 3.693 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257121247 1043866305 /nfs/dbraw/zinc/86/63/05/1043866305.db2.gz MUELXDUMXCFHRP-MOPGFXCFSA-N 2 2 388.556 3.510 20 0 GHADLP CC[C@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257129067 1043877275 /nfs/dbraw/zinc/87/72/75/1043877275.db2.gz STYQQKLNUKPLMS-MOPGFXCFSA-N 2 2 388.556 3.818 20 0 GHADLP CC(C)[C@@H]1C[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257207043 1043936499 /nfs/dbraw/zinc/93/64/99/1043936499.db2.gz YBPQDRFEZUBZTR-MOPGFXCFSA-N 2 2 376.545 3.944 20 0 GHADLP CC[NH+](CC)CCOc1ccc(CNC(=O)c2c(C)cc(C)[nH+]c2C)cc1OC ZINC001292919697 1043947561 /nfs/dbraw/zinc/94/75/61/1043947561.db2.gz JPURTNVMKGZOSJ-UHFFFAOYSA-N 2 2 399.535 3.666 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)C2 ZINC001257805686 1044187963 /nfs/dbraw/zinc/18/79/63/1044187963.db2.gz QYEFCLCJLNHUJN-XQBPLPMBSA-N 2 2 377.573 3.630 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC001257805686 1044187967 /nfs/dbraw/zinc/18/79/67/1044187967.db2.gz QYEFCLCJLNHUJN-XQBPLPMBSA-N 2 2 377.573 3.630 20 0 GHADLP Cc1[nH+]c2c(n1[C@@H]1CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC[NH2+]CC2 ZINC001257809210 1044190818 /nfs/dbraw/zinc/19/08/18/1044190818.db2.gz HSYHPJTXIRXARL-VGOFRKELSA-N 2 2 388.556 3.622 20 0 GHADLP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257988189 1044317156 /nfs/dbraw/zinc/31/71/56/1044317156.db2.gz JZJUTKMPLMRQEQ-UXHICEINSA-N 2 2 398.551 3.563 20 0 GHADLP Cc1ccc[nH+]c1N1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258135690 1044421043 /nfs/dbraw/zinc/42/10/43/1044421043.db2.gz SRHFKGAHTSDCCZ-UHFFFAOYSA-N 3 2 378.564 3.656 20 0 GHADLP C[C@H](Cc1cccnc1)[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001258627964 1044676873 /nfs/dbraw/zinc/67/68/73/1044676873.db2.gz VOHKRDSUNBVIBD-NQIIRXRSSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@H](Cc1cccnc1)[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001258627964 1044676884 /nfs/dbraw/zinc/67/68/84/1044676884.db2.gz VOHKRDSUNBVIBD-NQIIRXRSSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@H](Cc1cccnc1)[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001258627964 1044676900 /nfs/dbraw/zinc/67/69/00/1044676900.db2.gz VOHKRDSUNBVIBD-NQIIRXRSSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@H](Cc1cccnc1)[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001258627964 1044676909 /nfs/dbraw/zinc/67/69/09/1044676909.db2.gz VOHKRDSUNBVIBD-NQIIRXRSSA-N 2 2 386.490 3.641 20 0 GHADLP COc1ccccc1C[C@@H](C)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001258879757 1044828762 /nfs/dbraw/zinc/82/87/62/1044828762.db2.gz XTARTLJYYLDBLM-OAHLLOKOSA-N 2 2 379.595 3.667 20 0 GHADLP CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001298564738 1045873183 /nfs/dbraw/zinc/87/31/83/1045873183.db2.gz MJEHETIKENWGAM-FPOVZHCZSA-N 2 2 391.987 3.741 20 0 GHADLP CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001298564738 1045873201 /nfs/dbraw/zinc/87/32/01/1045873201.db2.gz MJEHETIKENWGAM-FPOVZHCZSA-N 2 2 391.987 3.741 20 0 GHADLP CC(C)C[C@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001298564738 1045873215 /nfs/dbraw/zinc/87/32/15/1045873215.db2.gz MJEHETIKENWGAM-FPOVZHCZSA-N 2 2 391.987 3.741 20 0 GHADLP CC(C)C[C@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001298564738 1045873232 /nfs/dbraw/zinc/87/32/32/1045873232.db2.gz MJEHETIKENWGAM-FPOVZHCZSA-N 2 2 391.987 3.741 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[NH+](CC)CC)cc1 ZINC001298681137 1045916916 /nfs/dbraw/zinc/91/69/16/1045916916.db2.gz FPHCRJZXYJDPKC-FGZHOGPDSA-N 2 2 397.567 3.552 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[NH+](CC)CC)cc1 ZINC001298681137 1045916924 /nfs/dbraw/zinc/91/69/24/1045916924.db2.gz FPHCRJZXYJDPKC-FGZHOGPDSA-N 2 2 397.567 3.552 20 0 GHADLP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC001262558594 1046268388 /nfs/dbraw/zinc/26/83/88/1046268388.db2.gz KFDZTNWZTQXMSU-ICSRJNTNSA-N 2 2 399.922 3.695 20 0 GHADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(Cl)cccc1C(F)(F)F ZINC001279142845 1047730132 /nfs/dbraw/zinc/73/01/32/1047730132.db2.gz GEQMJUGIOPLVPH-OKILXGFUSA-N 2 2 375.866 3.569 20 0 GHADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(Cl)cccc1C(F)(F)F ZINC001279142845 1047730134 /nfs/dbraw/zinc/73/01/34/1047730134.db2.gz GEQMJUGIOPLVPH-OKILXGFUSA-N 2 2 375.866 3.569 20 0 GHADLP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(F)ccc(F)c3Cl)(C1)CCC2 ZINC001279441984 1047808390 /nfs/dbraw/zinc/80/83/90/1047808390.db2.gz HPFQTMXCSUEIJL-MOPGFXCFSA-N 2 2 388.886 3.763 20 0 GHADLP Oc1ccc(Br)c(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001279525673 1047833016 /nfs/dbraw/zinc/83/30/16/1047833016.db2.gz DNHMWHUHGACWHB-UHFFFAOYSA-N 2 2 390.325 3.581 20 0 GHADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(Br)cc(OC)cc3OC)(C1)CCC2 ZINC001279666066 1047905887 /nfs/dbraw/zinc/90/58/87/1047905887.db2.gz ACKGFAPCESZEIL-ZWKOTPCHSA-N 2 2 383.330 3.621 20 0 GHADLP OCC1([C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c2cccs2)CCC1 ZINC001307843748 1049628137 /nfs/dbraw/zinc/62/81/37/1049628137.db2.gz HDGUFLBCFAKVIC-QFIPXVFZSA-N 2 2 399.604 3.754 20 0 GHADLP Cc1cccc(C)c1[C@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001307920935 1049697300 /nfs/dbraw/zinc/69/73/00/1049697300.db2.gz QRNUMGZHKLITFD-OAQYLSRUSA-N 2 2 392.547 3.574 20 0 GHADLP Cc1cccc(C)c1[C@H]1CCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001307920935 1049697310 /nfs/dbraw/zinc/69/73/10/1049697310.db2.gz QRNUMGZHKLITFD-OAQYLSRUSA-N 2 2 392.547 3.574 20 0 GHADLP C[C@](O)(C[NH+]1CCC(C)([NH+]2CCCC2)CC1)c1ccc(Br)cc1F ZINC001307982205 1049737700 /nfs/dbraw/zinc/73/77/00/1049737700.db2.gz PRRUOQZKXOTIJK-IBGZPJMESA-N 2 2 399.348 3.746 20 0 GHADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001308052772 1049800245 /nfs/dbraw/zinc/80/02/45/1049800245.db2.gz MLTAOURYVHQZRS-PKTZIBPZSA-N 2 2 393.531 3.763 20 0 GHADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001308052772 1049800254 /nfs/dbraw/zinc/80/02/54/1049800254.db2.gz MLTAOURYVHQZRS-PKTZIBPZSA-N 2 2 393.531 3.763 20 0 GHADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001308052772 1049800270 /nfs/dbraw/zinc/80/02/70/1049800270.db2.gz MLTAOURYVHQZRS-PKTZIBPZSA-N 2 2 393.531 3.763 20 0 GHADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001308052772 1049800284 /nfs/dbraw/zinc/80/02/84/1049800284.db2.gz MLTAOURYVHQZRS-PKTZIBPZSA-N 2 2 393.531 3.763 20 0 GHADLP COc1cccc(CCC[N@@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)c1 ZINC001308106420 1049851749 /nfs/dbraw/zinc/85/17/49/1049851749.db2.gz BQSPQRPQRRKYPJ-UHFFFAOYSA-N 2 2 382.548 3.852 20 0 GHADLP COc1cccc(CCC[N@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)c1 ZINC001308106420 1049851763 /nfs/dbraw/zinc/85/17/63/1049851763.db2.gz BQSPQRPQRRKYPJ-UHFFFAOYSA-N 2 2 382.548 3.852 20 0 GHADLP COc1cccc(CCC[NH+]2CCC[N@H+](Cc3ccccc3)CCOCC2)c1 ZINC001308106420 1049851779 /nfs/dbraw/zinc/85/17/79/1049851779.db2.gz BQSPQRPQRRKYPJ-UHFFFAOYSA-N 2 2 382.548 3.852 20 0 GHADLP COc1cccc(CCC[NH+]2CCC[N@@H+](Cc3ccccc3)CCOCC2)c1 ZINC001308106420 1049851801 /nfs/dbraw/zinc/85/18/01/1049851801.db2.gz BQSPQRPQRRKYPJ-UHFFFAOYSA-N 2 2 382.548 3.852 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+][C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)C1 ZINC001308172735 1049900074 /nfs/dbraw/zinc/90/00/74/1049900074.db2.gz XTHCZNYDCISOJV-PXTPFGJHSA-N 2 2 393.616 3.978 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+][C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)C1 ZINC001308172735 1049900075 /nfs/dbraw/zinc/90/00/75/1049900075.db2.gz XTHCZNYDCISOJV-PXTPFGJHSA-N 2 2 393.616 3.978 20 0 GHADLP CC1CC[NH+](CCC[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)CC1 ZINC001308184823 1049904543 /nfs/dbraw/zinc/90/45/43/1049904543.db2.gz QPUYCNYFCHOFCA-UHFFFAOYSA-N 3 2 390.959 3.827 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2C2CCOCC2)CC1 ZINC001308271044 1049932611 /nfs/dbraw/zinc/93/26/11/1049932611.db2.gz FHMMMHKOELQTCB-SFHVURJKSA-N 2 2 382.552 3.629 20 0 GHADLP Cc1cc(Br)c(C[NH2+]CC[C@H](C)[NH+](C)C)cc1Br ZINC001308479451 1049985032 /nfs/dbraw/zinc/98/50/32/1049985032.db2.gz QPDFVKLIDAHCAH-NSHDSACASA-N 2 2 378.152 3.950 20 0 GHADLP CCOC(=O)N1CCC(C)(C[NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC001308709063 1050066729 /nfs/dbraw/zinc/06/67/29/1050066729.db2.gz KUFLGHHHCJPVHS-OAQYLSRUSA-N 2 2 387.568 3.745 20 0 GHADLP CCOC(=O)N1CCC(C)(C[NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC001308709063 1050066732 /nfs/dbraw/zinc/06/67/32/1050066732.db2.gz KUFLGHHHCJPVHS-OAQYLSRUSA-N 2 2 387.568 3.745 20 0 GHADLP CCc1[nH]c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1C(=O)OC ZINC001308713373 1050069138 /nfs/dbraw/zinc/06/91/38/1050069138.db2.gz IURITFUBJGTKMX-NRFANRHFSA-N 2 2 383.536 3.754 20 0 GHADLP CCc1[nH]c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1C(=O)OC ZINC001308713373 1050069142 /nfs/dbraw/zinc/06/91/42/1050069142.db2.gz IURITFUBJGTKMX-NRFANRHFSA-N 2 2 383.536 3.754 20 0 GHADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CCc2ccc(I)cc2)C1 ZINC001308733908 1050075820 /nfs/dbraw/zinc/07/58/20/1050075820.db2.gz GIGADGCSLCTEIW-WMLDXEAASA-N 2 2 386.321 3.686 20 0 GHADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CCc2ccc(I)cc2)C1 ZINC001308733908 1050075824 /nfs/dbraw/zinc/07/58/24/1050075824.db2.gz GIGADGCSLCTEIW-WMLDXEAASA-N 2 2 386.321 3.686 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nc(Cl)ccc2Br)C1 ZINC001331726966 1051361924 /nfs/dbraw/zinc/36/19/24/1051361924.db2.gz XXQBSZFGPFHXKO-LBPRGKRZSA-N 2 2 383.721 3.686 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nc(Cl)ccc2Br)C1 ZINC001331726966 1051361943 /nfs/dbraw/zinc/36/19/43/1051361943.db2.gz XXQBSZFGPFHXKO-LBPRGKRZSA-N 2 2 383.721 3.686 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(C[N@H+](C)CCOc2ccccc2)cc1)n1cc[nH+]c1 ZINC001332267260 1051495544 /nfs/dbraw/zinc/49/55/44/1051495544.db2.gz UQCCOKIMDUHZLU-SFHVURJKSA-N 2 2 378.476 3.594 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(C[N@@H+](C)CCOc2ccccc2)cc1)n1cc[nH+]c1 ZINC001332267260 1051495551 /nfs/dbraw/zinc/49/55/51/1051495551.db2.gz UQCCOKIMDUHZLU-SFHVURJKSA-N 2 2 378.476 3.594 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001333465187 1051745900 /nfs/dbraw/zinc/74/59/00/1051745900.db2.gz IQFOKPZNYBTDTC-IBGZPJMESA-N 3 2 389.547 3.783 20 0 GHADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC001334786981 1051978541 /nfs/dbraw/zinc/97/85/41/1051978541.db2.gz KUHMTXRZEVGNFL-HSZRJFAPSA-N 2 2 398.595 3.635 20 0 GHADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)CC2)cc1 ZINC001334786981 1051978543 /nfs/dbraw/zinc/97/85/43/1051978543.db2.gz KUHMTXRZEVGNFL-HSZRJFAPSA-N 2 2 398.595 3.635 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+]CCC(=O)Nc2ccccc2F)CCOCC1)c1ccccc1 ZINC001335421343 1052096839 /nfs/dbraw/zinc/09/68/39/1052096839.db2.gz LFHJQUMYSTVALT-GOSISDBHSA-N 2 2 399.510 3.644 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccn(-c2ccc(Cl)cc2)n1 ZINC001335804705 1052181486 /nfs/dbraw/zinc/18/14/86/1052181486.db2.gz ZSRNISYTRUAQNR-UHFFFAOYSA-N 2 2 378.823 3.667 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC(C)(C)c3ccc4ccccc4c3)C2)CC1 ZINC001312015509 1052530838 /nfs/dbraw/zinc/53/08/38/1052530838.db2.gz HDTDJOJBUWDQLC-NRFANRHFSA-N 2 2 394.563 3.543 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC(C)(C)c3ccc4ccccc4c3)C2)CC1 ZINC001312015509 1052530842 /nfs/dbraw/zinc/53/08/42/1052530842.db2.gz HDTDJOJBUWDQLC-NRFANRHFSA-N 2 2 394.563 3.543 20 0 GHADLP CCc1ccc([C@H](CNC(=O)NCc2cc[nH+]c(NC)c2)[NH+](CC)CC)cc1 ZINC001312785782 1052869070 /nfs/dbraw/zinc/86/90/70/1052869070.db2.gz IBMIDCQBYWRWNX-FQEVSTJZSA-N 2 2 383.540 3.568 20 0 GHADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001312802188 1052875216 /nfs/dbraw/zinc/87/52/16/1052875216.db2.gz HIXBZGMCVGBDSV-ZWKOTPCHSA-N 2 2 377.577 3.648 20 0 GHADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001312802188 1052875219 /nfs/dbraw/zinc/87/52/19/1052875219.db2.gz HIXBZGMCVGBDSV-ZWKOTPCHSA-N 2 2 377.577 3.648 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC001343276737 1053671818 /nfs/dbraw/zinc/67/18/18/1053671818.db2.gz UOGFEXAZAFSQRT-CYBMUJFWSA-N 2 2 378.307 3.829 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC001343276737 1053671828 /nfs/dbraw/zinc/67/18/28/1053671828.db2.gz UOGFEXAZAFSQRT-CYBMUJFWSA-N 2 2 378.307 3.829 20 0 GHADLP CCC1([NH+]2CCC2)CCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2CC(C)C)CC1 ZINC001343506677 1053824926 /nfs/dbraw/zinc/82/49/26/1053824926.db2.gz ICYOSCMCFRIMQX-IBGZPJMESA-N 2 2 388.604 3.546 20 0 GHADLP CCC1([NH+]2CCC2)CCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2CC(C)C)CC1 ZINC001343506677 1053824942 /nfs/dbraw/zinc/82/49/42/1053824942.db2.gz ICYOSCMCFRIMQX-IBGZPJMESA-N 2 2 388.604 3.546 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC001318971756 1054972434 /nfs/dbraw/zinc/97/24/34/1054972434.db2.gz ZQEGLQBMFNXKGP-UHFFFAOYSA-N 2 2 386.415 3.755 20 0 GHADLP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cc2ccccc2[nH]1 ZINC001319009928 1054988547 /nfs/dbraw/zinc/98/85/47/1054988547.db2.gz RMPUJFUGYGPZIQ-UHFFFAOYSA-N 2 2 390.531 3.512 20 0 GHADLP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cc2ccccc2[nH]1 ZINC001319009928 1054988553 /nfs/dbraw/zinc/98/85/53/1054988553.db2.gz RMPUJFUGYGPZIQ-UHFFFAOYSA-N 2 2 390.531 3.512 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1)c1nc2c(s1)CCCC2 ZINC001319880190 1055519860 /nfs/dbraw/zinc/51/98/60/1055519860.db2.gz IFGSRXIAGFDACK-KRWDZBQOSA-N 2 2 384.593 3.620 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccc(Br)cc1C ZINC001320015829 1055598614 /nfs/dbraw/zinc/59/86/14/1055598614.db2.gz KXVAWJCGJCCCCJ-UHFFFAOYSA-N 2 2 385.265 3.828 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC001200702430 1056767831 /nfs/dbraw/zinc/76/78/31/1056767831.db2.gz AHOBTRLHGBTBMM-PXNSSMCTSA-N 2 2 396.428 3.817 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC001200702430 1056767833 /nfs/dbraw/zinc/76/78/33/1056767833.db2.gz AHOBTRLHGBTBMM-PXNSSMCTSA-N 2 2 396.428 3.817 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC001322845689 1056865618 /nfs/dbraw/zinc/86/56/18/1056865618.db2.gz KJHMJTBFORHKKR-UHFFFAOYSA-N 2 2 393.394 3.720 20 0 GHADLP Fc1cccc2c1CC[C@H]2[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001323485586 1056975828 /nfs/dbraw/zinc/97/58/28/1056975828.db2.gz LACRHPDTKMPEHJ-AUSIDOKSSA-N 2 2 394.538 3.742 20 0 GHADLP Fc1cccc2c1CC[C@H]2[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001323485586 1056975829 /nfs/dbraw/zinc/97/58/29/1056975829.db2.gz LACRHPDTKMPEHJ-AUSIDOKSSA-N 2 2 394.538 3.742 20 0 GHADLP Brc1ccc(-c2cnn(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)c2)cc1 ZINC000848479343 1057116518 /nfs/dbraw/zinc/11/65/18/1057116518.db2.gz XKMGNNRUWRGLNC-SFHVURJKSA-N 2 2 386.297 3.804 20 0 GHADLP Brc1ccc(-c2cnn(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)c2)cc1 ZINC000848479343 1057116522 /nfs/dbraw/zinc/11/65/22/1057116522.db2.gz XKMGNNRUWRGLNC-SFHVURJKSA-N 2 2 386.297 3.804 20 0 GHADLP O[C@H](c1ccccc1)[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000848550619 1057172875 /nfs/dbraw/zinc/17/28/75/1057172875.db2.gz SBQSDBBSRSDTKI-TZRRMPRUSA-N 2 2 380.532 3.694 20 0 GHADLP COc1ccccc1-n1nccc1C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001325059135 1057271138 /nfs/dbraw/zinc/27/11/38/1057271138.db2.gz UNFLCMVNEPUJBX-SFHVURJKSA-N 2 2 377.492 3.661 20 0 GHADLP COc1ccccc1-n1nccc1C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001325059135 1057271145 /nfs/dbraw/zinc/27/11/45/1057271145.db2.gz UNFLCMVNEPUJBX-SFHVURJKSA-N 2 2 377.492 3.661 20 0 GHADLP COc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001325059134 1057271410 /nfs/dbraw/zinc/27/14/10/1057271410.db2.gz UNFLCMVNEPUJBX-GOSISDBHSA-N 2 2 377.492 3.661 20 0 GHADLP COc1ccccc1-n1nccc1C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001325059134 1057271414 /nfs/dbraw/zinc/27/14/14/1057271414.db2.gz UNFLCMVNEPUJBX-GOSISDBHSA-N 2 2 377.492 3.661 20 0 GHADLP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000849053566 1057562920 /nfs/dbraw/zinc/56/29/20/1057562920.db2.gz WXMDBQGTEOGSSC-NRFANRHFSA-N 2 2 380.536 3.649 20 0 GHADLP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000849053566 1057562922 /nfs/dbraw/zinc/56/29/22/1057562922.db2.gz WXMDBQGTEOGSSC-NRFANRHFSA-N 2 2 380.536 3.649 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001441450893 1058784689 /nfs/dbraw/zinc/78/46/89/1058784689.db2.gz SOKQNNULXJBVSW-HDICACEKSA-N 2 2 376.504 3.742 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001441450893 1058784707 /nfs/dbraw/zinc/78/47/07/1058784707.db2.gz SOKQNNULXJBVSW-HDICACEKSA-N 2 2 376.504 3.742 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccco1 ZINC001442492127 1058968448 /nfs/dbraw/zinc/96/84/48/1058968448.db2.gz PMCNITOQGHIHDM-HKUYNNGSSA-N 2 2 377.916 3.735 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC001442658183 1058988825 /nfs/dbraw/zinc/98/88/25/1058988825.db2.gz HPVCCEODJKRMFG-WOUAJJJCSA-N 2 2 377.960 3.807 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC001442658183 1058988830 /nfs/dbraw/zinc/98/88/30/1058988830.db2.gz HPVCCEODJKRMFG-WOUAJJJCSA-N 2 2 377.960 3.807 20 0 GHADLP CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001340142684 1059721172 /nfs/dbraw/zinc/72/11/72/1059721172.db2.gz LJDDWODDBOFQMI-PZJWPPBQSA-N 2 2 398.599 3.659 20 0 GHADLP CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001340142684 1059721195 /nfs/dbraw/zinc/72/11/95/1059721195.db2.gz LJDDWODDBOFQMI-PZJWPPBQSA-N 2 2 398.599 3.659 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001447348142 1059952009 /nfs/dbraw/zinc/95/20/09/1059952009.db2.gz ULGGTSBIBWRJAE-YJMBLLCNSA-N 2 2 392.547 3.689 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001447348142 1059952010 /nfs/dbraw/zinc/95/20/10/1059952010.db2.gz ULGGTSBIBWRJAE-YJMBLLCNSA-N 2 2 392.547 3.689 20 0 GHADLP CCOc1ccccc1[C@H]([NH3+])CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC001341697649 1060817176 /nfs/dbraw/zinc/81/71/76/1060817176.db2.gz SOWBJTCTIPZCSZ-DYESRHJHSA-N 2 2 397.519 3.507 20 0 GHADLP Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC[NH2+]1 ZINC001454457471 1061787423 /nfs/dbraw/zinc/78/74/23/1061787423.db2.gz FUTDRLLAMLEBDL-XZOQPEGZSA-N 2 2 395.522 3.662 20 0 GHADLP Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC[NH2+]1 ZINC001454457471 1061787442 /nfs/dbraw/zinc/78/74/42/1061787442.db2.gz FUTDRLLAMLEBDL-XZOQPEGZSA-N 2 2 395.522 3.662 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCc3ccc(Cl)cc3Cl)c2)CC1 ZINC001454648460 1061900411 /nfs/dbraw/zinc/90/04/11/1061900411.db2.gz FGOQCGAGBCZOAP-UHFFFAOYSA-N 2 2 393.318 3.712 20 0 GHADLP C[C@@H]1C[C@H]2CC[C@@H](C(=O)Nc3ccccc3-c3[nH+]cc4n3CCCC4)C[N@@H+]2C1 ZINC001348588599 1063231281 /nfs/dbraw/zinc/23/12/81/1063231281.db2.gz FHVIGKKWIWJGNP-KZNAEPCWSA-N 2 2 378.520 3.945 20 0 GHADLP C[C@@H]1C[C@H]2CC[C@@H](C(=O)Nc3ccccc3-c3[nH+]cc4n3CCCC4)C[N@H+]2C1 ZINC001348588599 1063231309 /nfs/dbraw/zinc/23/13/09/1063231309.db2.gz FHVIGKKWIWJGNP-KZNAEPCWSA-N 2 2 378.520 3.945 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001457986840 1063487029 /nfs/dbraw/zinc/48/70/29/1063487029.db2.gz WRKDPIPLLVFFBP-JOCHJYFZSA-N 2 2 383.511 3.796 20 0 GHADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001457986843 1063487310 /nfs/dbraw/zinc/48/73/10/1063487310.db2.gz WRKDPIPLLVFFBP-QFIPXVFZSA-N 2 2 383.511 3.796 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c2c1CCC2 ZINC001458870073 1063952329 /nfs/dbraw/zinc/95/23/29/1063952329.db2.gz AKVNANZJSGAUNS-BJKOFHAPSA-N 2 2 397.607 3.893 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2c1CCC2 ZINC001458870073 1063952334 /nfs/dbraw/zinc/95/23/34/1063952334.db2.gz AKVNANZJSGAUNS-BJKOFHAPSA-N 2 2 397.607 3.893 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NCc3ccccc3C[N@H+]3CCCC[C@H]3C)ccn12 ZINC001350341030 1064060151 /nfs/dbraw/zinc/06/01/51/1064060151.db2.gz RCPLUVIWLDWHRG-QGZVFWFLSA-N 2 2 376.504 3.947 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NCc3ccccc3C[N@@H+]3CCCC[C@H]3C)ccn12 ZINC001350341030 1064060158 /nfs/dbraw/zinc/06/01/58/1064060158.db2.gz RCPLUVIWLDWHRG-QGZVFWFLSA-N 2 2 376.504 3.947 20 0 GHADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001459715131 1064182970 /nfs/dbraw/zinc/18/29/70/1064182970.db2.gz IRCWQOCYABNMQH-UHFFFAOYSA-N 2 2 391.918 3.742 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](C)[C@H]3CCCC[C@@H]3C)n2)CC1 ZINC001459947564 1064295491 /nfs/dbraw/zinc/29/54/91/1064295491.db2.gz AMXHIQFUYCJMLP-WMZOPIPTSA-N 2 2 378.586 3.824 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](C)[C@H]3CCCC[C@@H]3C)n2)CC1 ZINC001459947564 1064295500 /nfs/dbraw/zinc/29/55/00/1064295500.db2.gz AMXHIQFUYCJMLP-WMZOPIPTSA-N 2 2 378.586 3.824 20 0 GHADLP C[NH+](C)[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC001463825032 1064651588 /nfs/dbraw/zinc/65/15/88/1064651588.db2.gz BQHAPYQOFNPYPN-NRFANRHFSA-N 2 2 385.939 3.677 20 0 GHADLP C[NH+](C)[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC001463825032 1064651593 /nfs/dbraw/zinc/65/15/93/1064651593.db2.gz BQHAPYQOFNPYPN-NRFANRHFSA-N 2 2 385.939 3.677 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(CC[NH+](C)C)c2)C[C@@H](C)O1 ZINC001464270382 1064935507 /nfs/dbraw/zinc/93/55/07/1064935507.db2.gz KKBPUPSJNMLDRA-RTBURBONSA-N 2 2 395.547 3.652 20 0 GHADLP FC(F)c1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cn1 ZINC001200174707 1065479744 /nfs/dbraw/zinc/47/97/44/1065479744.db2.gz YJBHLBMFGAXDHN-UHFFFAOYSA-N 2 2 394.897 3.975 20 0 GHADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001353422146 1065943449 /nfs/dbraw/zinc/94/34/49/1065943449.db2.gz YJDMZWMXUZECSD-RTBURBONSA-N 2 2 389.588 3.505 20 0 GHADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001353422146 1065943453 /nfs/dbraw/zinc/94/34/53/1065943453.db2.gz YJDMZWMXUZECSD-RTBURBONSA-N 2 2 389.588 3.505 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)NC[C@H]3CC[N@@H+]3Cc3ccccc3)ccc21 ZINC001466668924 1066247013 /nfs/dbraw/zinc/24/70/13/1066247013.db2.gz CNWYEAHAOANOKL-HXUWFJFHSA-N 2 2 389.503 3.697 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)NC[C@H]3CC[N@H+]3Cc3ccccc3)ccc21 ZINC001466668924 1066247025 /nfs/dbraw/zinc/24/70/25/1066247025.db2.gz CNWYEAHAOANOKL-HXUWFJFHSA-N 2 2 389.503 3.697 20 0 GHADLP C[N@H+](Cc1cccc(OC(C)(C)C)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001460558775 1068995632 /nfs/dbraw/zinc/99/56/32/1068995632.db2.gz MGFCZFYEGPCYKX-DEOSSOPVSA-N 2 2 382.548 3.933 20 0 GHADLP C[N@@H+](Cc1cccc(OC(C)(C)C)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001460558775 1068995635 /nfs/dbraw/zinc/99/56/35/1068995635.db2.gz MGFCZFYEGPCYKX-DEOSSOPVSA-N 2 2 382.548 3.933 20 0 GHADLP C[NH+](Cc1cccc(OC(C)(C)C)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001460558775 1068995639 /nfs/dbraw/zinc/99/56/39/1068995639.db2.gz MGFCZFYEGPCYKX-DEOSSOPVSA-N 2 2 382.548 3.933 20 0 GHADLP C[NH+](Cc1cccc(OC(C)(C)C)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001460558775 1068995643 /nfs/dbraw/zinc/99/56/43/1068995643.db2.gz MGFCZFYEGPCYKX-DEOSSOPVSA-N 2 2 382.548 3.933 20 0 GHADLP Cc1csc(C[C@@H]2CCC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)n1 ZINC001460793563 1069183133 /nfs/dbraw/zinc/18/31/33/1069183133.db2.gz MNJQTFAWRMVXGJ-NRFANRHFSA-N 2 2 398.620 3.918 20 0 GHADLP Cc1csc(C[C@@H]2CCC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)n1 ZINC001460793563 1069183140 /nfs/dbraw/zinc/18/31/40/1069183140.db2.gz MNJQTFAWRMVXGJ-NRFANRHFSA-N 2 2 398.620 3.918 20 0 GHADLP Cc1cccnc1[C@H](C)[NH2+]CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001460933125 1069282286 /nfs/dbraw/zinc/28/22/86/1069282286.db2.gz IZDMBKNWSKTFNU-FQEVSTJZSA-N 2 2 394.563 3.508 20 0 GHADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1 ZINC001473165118 1073822962 /nfs/dbraw/zinc/82/29/62/1073822962.db2.gz GYTCIQXROJXCOR-HSZRJFAPSA-N 2 2 384.564 3.935 20 0 GHADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1 ZINC001473165118 1073822979 /nfs/dbraw/zinc/82/29/79/1073822979.db2.gz GYTCIQXROJXCOR-HSZRJFAPSA-N 2 2 384.564 3.935 20 0 GHADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1 ZINC001473165118 1073822995 /nfs/dbraw/zinc/82/29/95/1073822995.db2.gz GYTCIQXROJXCOR-HSZRJFAPSA-N 2 2 384.564 3.935 20 0 GHADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1 ZINC001473165118 1073823008 /nfs/dbraw/zinc/82/30/08/1073823008.db2.gz GYTCIQXROJXCOR-HSZRJFAPSA-N 2 2 384.564 3.935 20 0 GHADLP C[NH+](C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)C1(C(N)=O)CCCC1 ZINC001473284719 1073906046 /nfs/dbraw/zinc/90/60/46/1073906046.db2.gz PJKNUMYUKSDFEQ-QFIPXVFZSA-N 2 2 379.548 3.632 20 0 GHADLP C[NH+](C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)C1(C(N)=O)CCCC1 ZINC001473284719 1073906048 /nfs/dbraw/zinc/90/60/48/1073906048.db2.gz PJKNUMYUKSDFEQ-QFIPXVFZSA-N 2 2 379.548 3.632 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](C[N@H+](C)C1(C(N)=O)CCCC1)c1ccccc1 ZINC001473284719 1073906052 /nfs/dbraw/zinc/90/60/52/1073906052.db2.gz PJKNUMYUKSDFEQ-QFIPXVFZSA-N 2 2 379.548 3.632 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+](C)C1(C(N)=O)CCCC1)c1ccccc1 ZINC001473284719 1073906054 /nfs/dbraw/zinc/90/60/54/1073906054.db2.gz PJKNUMYUKSDFEQ-QFIPXVFZSA-N 2 2 379.548 3.632 20 0 GHADLP OC1(C[C@@H]2CCCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)CCCCC1 ZINC001473787164 1074142512 /nfs/dbraw/zinc/14/25/12/1074142512.db2.gz BYTYCROTXVBJKU-QHCPKHFHSA-N 2 2 386.580 3.959 20 0 GHADLP OC1(C[C@@H]2CCCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)CCCCC1 ZINC001473787164 1074142515 /nfs/dbraw/zinc/14/25/15/1074142515.db2.gz BYTYCROTXVBJKU-QHCPKHFHSA-N 2 2 386.580 3.959 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC001474011502 1074235401 /nfs/dbraw/zinc/23/54/01/1074235401.db2.gz YHGVYYSNTGLHCV-INIZCTEOSA-N 2 2 376.447 3.527 20 0 GHADLP COc1cc2ccccc2cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001474020113 1074238621 /nfs/dbraw/zinc/23/86/21/1074238621.db2.gz JUOLYBLNVGDPFY-RPWUZVMVSA-N 2 2 390.527 3.821 20 0 GHADLP COc1cc2ccccc2cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001474020113 1074238630 /nfs/dbraw/zinc/23/86/30/1074238630.db2.gz JUOLYBLNVGDPFY-RPWUZVMVSA-N 2 2 390.527 3.821 20 0 GHADLP Cc1[nH+]cc(CNc2ccc(N3CC[NH+](C)CC3)c(C)c2)n1-c1ccccc1 ZINC001474049348 1074248071 /nfs/dbraw/zinc/24/80/71/1074248071.db2.gz VTNOLNCSYBQQFY-UHFFFAOYSA-N 2 2 375.520 3.853 20 0 GHADLP c1ccc2c(c1)CC[C@H]2CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001474163236 1074280004 /nfs/dbraw/zinc/28/00/04/1074280004.db2.gz MNGAHTLDPOFSEX-QFIPXVFZSA-N 2 2 380.532 3.607 20 0 GHADLP CCc1cccc(F)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001474333707 1074347530 /nfs/dbraw/zinc/34/75/30/1074347530.db2.gz RGUFDEBRXKPXIT-FQEVSTJZSA-N 2 2 396.554 3.817 20 0 GHADLP CCc1cccc(F)c1C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001474333707 1074347538 /nfs/dbraw/zinc/34/75/38/1074347538.db2.gz RGUFDEBRXKPXIT-FQEVSTJZSA-N 2 2 396.554 3.817 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1Cc1c[nH+]c2n1CCC2 ZINC001474543645 1074457352 /nfs/dbraw/zinc/45/73/52/1074457352.db2.gz ZPCMYVKKXYGSGT-JOCHJYFZSA-N 2 2 380.580 3.994 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1Cc1c[nH+]c2n1CCC2 ZINC001474543645 1074457354 /nfs/dbraw/zinc/45/73/54/1074457354.db2.gz ZPCMYVKKXYGSGT-JOCHJYFZSA-N 2 2 380.580 3.994 20 0 GHADLP Fc1ccccc1C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)CC1CC1 ZINC001474632264 1074491829 /nfs/dbraw/zinc/49/18/29/1074491829.db2.gz LHLCSPVWZZGQEZ-UHFFFAOYSA-N 2 2 398.522 3.949 20 0 GHADLP Fc1ccccc1C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)CC1CC1 ZINC001474632264 1074491834 /nfs/dbraw/zinc/49/18/34/1074491834.db2.gz LHLCSPVWZZGQEZ-UHFFFAOYSA-N 2 2 398.522 3.949 20 0 GHADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH+]1CCC2(CCSCC2)CC1 ZINC001474656825 1074502785 /nfs/dbraw/zinc/50/27/85/1074502785.db2.gz PRGWLZQAGDCFHF-UHFFFAOYSA-N 2 2 390.593 3.507 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820410476 606201722 /nfs/dbraw/zinc/20/17/22/606201722.db2.gz FIKYFUWZWWEYQP-XGHQBKJUSA-N 2 2 376.508 3.570 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820410476 606201724 /nfs/dbraw/zinc/20/17/24/606201724.db2.gz FIKYFUWZWWEYQP-XGHQBKJUSA-N 2 2 376.508 3.570 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548726 609143867 /nfs/dbraw/zinc/14/38/67/609143867.db2.gz YXXMULFTXOZAGZ-HZPDHXFCSA-N 2 2 394.498 3.882 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824545260 609148119 /nfs/dbraw/zinc/14/81/19/609148119.db2.gz BSPLJVSTSDIYTO-JTDSTZFVSA-N 2 2 394.498 3.710 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824545260 609148120 /nfs/dbraw/zinc/14/81/20/609148120.db2.gz BSPLJVSTSDIYTO-JTDSTZFVSA-N 2 2 394.498 3.710 20 0 GHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000824941611 609424765 /nfs/dbraw/zinc/42/47/65/609424765.db2.gz YYBCAIQLYCFXGV-DLBZAZTESA-N 2 2 391.523 3.506 20 0 GHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000824941611 609424767 /nfs/dbraw/zinc/42/47/67/609424767.db2.gz YYBCAIQLYCFXGV-DLBZAZTESA-N 2 2 391.523 3.506 20 0 GHADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164638488 719236505 /nfs/dbraw/zinc/23/65/05/719236505.db2.gz ZYAYURPHCKAWSL-JKSUJKDBSA-N 2 2 399.608 3.695 20 0 GHADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164638488 719236507 /nfs/dbraw/zinc/23/65/07/719236507.db2.gz ZYAYURPHCKAWSL-JKSUJKDBSA-N 2 2 399.608 3.695 20 0 GHADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(SC)cc[nH+]1)CC2 ZINC001164710391 720143878 /nfs/dbraw/zinc/14/38/78/720143878.db2.gz AQJZEJMCDFCKSI-LJQANCHMSA-N 2 2 398.576 3.706 20 0 GHADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(SC)cc[nH+]1)CC2 ZINC001164710391 720143897 /nfs/dbraw/zinc/14/38/97/720143897.db2.gz AQJZEJMCDFCKSI-LJQANCHMSA-N 2 2 398.576 3.706 20 0 GHADLP Cc1nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001164773817 721184979 /nfs/dbraw/zinc/18/49/79/721184979.db2.gz XEYCLYDTIGUTJE-SFTDATJTSA-N 2 2 394.567 3.525 20 0 GHADLP Cc1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001164773817 721184980 /nfs/dbraw/zinc/18/49/80/721184980.db2.gz XEYCLYDTIGUTJE-SFTDATJTSA-N 2 2 394.567 3.525 20 0 GHADLP COc1ccc2c(C)cc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)[nH+]c2c1 ZINC001164789513 721416926 /nfs/dbraw/zinc/41/69/26/721416926.db2.gz URUONWAWICRCNA-IYBDPMFKSA-N 2 2 380.517 3.577 20 0 GHADLP COc1ccc2c(C)cc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)[nH+]c2c1 ZINC001164789513 721416929 /nfs/dbraw/zinc/41/69/29/721416929.db2.gz URUONWAWICRCNA-IYBDPMFKSA-N 2 2 380.517 3.577 20 0 GHADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414086781 837450483 /nfs/dbraw/zinc/45/04/83/837450483.db2.gz ZXWSAGRYSCNMGN-KRWDZBQOSA-N 2 2 393.560 3.808 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@@H](C(C)(C)C)c4ccccc43)C2)CC1 ZINC000683559064 837565643 /nfs/dbraw/zinc/56/56/43/837565643.db2.gz KKDIKXBVWLVCAT-FXAWDEMLSA-N 2 2 384.568 3.514 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@@H](C(C)(C)C)c4ccccc43)C2)CC1 ZINC000683559064 837565647 /nfs/dbraw/zinc/56/56/47/837565647.db2.gz KKDIKXBVWLVCAT-FXAWDEMLSA-N 2 2 384.568 3.514 20 0 GHADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000655705121 837694758 /nfs/dbraw/zinc/69/47/58/837694758.db2.gz WMKWGXBDOUHEFK-UHFFFAOYSA-N 2 2 390.531 3.611 20 0 GHADLP COc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1OC1CCCC1 ZINC000655712595 837704388 /nfs/dbraw/zinc/70/43/88/837704388.db2.gz RQKQIAYUMUOMFD-OAQYLSRUSA-N 2 2 388.552 3.750 20 0 GHADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OCc1cccnc1 ZINC000092073234 834665924 /nfs/dbraw/zinc/66/59/24/834665924.db2.gz INHKRPMNIIWHIU-IBGZPJMESA-N 2 2 378.476 3.772 20 0 GHADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OCc1cccnc1 ZINC000092073234 834665928 /nfs/dbraw/zinc/66/59/28/834665928.db2.gz INHKRPMNIIWHIU-IBGZPJMESA-N 2 2 378.476 3.772 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431849528 837808209 /nfs/dbraw/zinc/80/82/09/837808209.db2.gz RXYAMTJTNXYDHS-QFIPXVFZSA-N 2 2 398.595 3.944 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431849528 837808222 /nfs/dbraw/zinc/80/82/22/837808222.db2.gz RXYAMTJTNXYDHS-QFIPXVFZSA-N 2 2 398.595 3.944 20 0 GHADLP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471127315 834824274 /nfs/dbraw/zinc/82/42/74/834824274.db2.gz LNBRXTSAXFPNAQ-YUXAGFNASA-N 2 2 397.588 3.584 20 0 GHADLP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000139997708 835011923 /nfs/dbraw/zinc/01/19/23/835011923.db2.gz FFYVMPQLKZRYOX-IBGZPJMESA-N 2 2 394.544 3.635 20 0 GHADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000139997708 835011931 /nfs/dbraw/zinc/01/19/31/835011931.db2.gz FFYVMPQLKZRYOX-IBGZPJMESA-N 2 2 394.544 3.635 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658053988 835397020 /nfs/dbraw/zinc/39/70/20/835397020.db2.gz CLHXFUCRQWBXRT-BBRMVZONSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658053988 835397028 /nfs/dbraw/zinc/39/70/28/835397028.db2.gz CLHXFUCRQWBXRT-BBRMVZONSA-N 2 2 382.346 3.629 20 0 GHADLP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000658296409 835561576 /nfs/dbraw/zinc/56/15/76/835561576.db2.gz ZRTJOQVTNALCOA-DYXWJJEUSA-N 2 2 376.516 3.703 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1cccnc1Cl ZINC000274820458 835653028 /nfs/dbraw/zinc/65/30/28/835653028.db2.gz JQBDQMUCGBOMSP-SOLBZPMBSA-N 2 2 386.927 3.562 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1cccnc1Cl ZINC000274820458 835653036 /nfs/dbraw/zinc/65/30/36/835653036.db2.gz JQBDQMUCGBOMSP-SOLBZPMBSA-N 2 2 386.927 3.562 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](CCCC(=O)Nc3c(C)cc(C)cc3C)CC2)c1 ZINC000137100338 835660078 /nfs/dbraw/zinc/66/00/78/835660078.db2.gz NAABDKIZLPIBRI-UHFFFAOYSA-N 2 2 396.535 3.556 20 0 GHADLP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ncc(C(F)(F)F)s3)cc2)CC1 ZINC000278656255 835715406 /nfs/dbraw/zinc/71/54/06/835715406.db2.gz MTEHNVSBCAHUOF-UHFFFAOYSA-N 2 2 398.498 3.589 20 0 GHADLP CC(=O)N(c1nc(C[N@H+](C)CC2CC[NH+](C)CC2)cs1)c1ccc(F)cc1 ZINC000154792381 835995712 /nfs/dbraw/zinc/99/57/12/835995712.db2.gz SQWLPFTYJNPDDD-UHFFFAOYSA-N 2 2 390.528 3.740 20 0 GHADLP CC(=O)N(c1nc(C[N@@H+](C)CC2CC[NH+](C)CC2)cs1)c1ccc(F)cc1 ZINC000154792381 835995722 /nfs/dbraw/zinc/99/57/22/835995722.db2.gz SQWLPFTYJNPDDD-UHFFFAOYSA-N 2 2 390.528 3.740 20 0 GHADLP Cc1ccc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)s2)cc1 ZINC000513032861 844117371 /nfs/dbraw/zinc/11/73/71/844117371.db2.gz PQMFJZHNHKRACJ-IHWFROFDSA-N 2 2 397.588 3.897 20 0 GHADLP Cc1ccc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)s2)cc1 ZINC000513032861 844117373 /nfs/dbraw/zinc/11/73/73/844117373.db2.gz PQMFJZHNHKRACJ-IHWFROFDSA-N 2 2 397.588 3.897 20 0 GHADLP C[C@@H](C[NH2+][C@@H](c1ccccc1Cl)c1cc(F)ccc1F)N1CC[NH+](C)CC1 ZINC000180463727 836175498 /nfs/dbraw/zinc/17/54/98/836175498.db2.gz QBYDOJSYZDSPJY-BTYIYWSLSA-N 2 2 393.909 3.933 20 0 GHADLP COc1ccc([C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)c2ccccc2Cl)cc1 ZINC000180496842 836177571 /nfs/dbraw/zinc/17/75/71/836177571.db2.gz KVRVYKDUVOSCDY-VGSWGCGISA-N 2 2 387.955 3.664 20 0 GHADLP COc1ccc(C[C@@H](C)[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cn1 ZINC000414131932 836227365 /nfs/dbraw/zinc/22/73/65/836227365.db2.gz YPJXVZFWUGCOOG-MOPGFXCFSA-N 2 2 383.536 3.511 20 0 GHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000092665323 844149795 /nfs/dbraw/zinc/14/97/95/844149795.db2.gz VCXRHHCEPRMXAM-IRXDYDNUSA-N 2 2 390.622 3.862 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000376120006 836939696 /nfs/dbraw/zinc/93/96/96/836939696.db2.gz XQRFPZRIQMKYFJ-ZMYBRWDISA-N 2 2 379.464 3.704 20 0 GHADLP Cc1ccccc1[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000175757226 836984329 /nfs/dbraw/zinc/98/43/29/836984329.db2.gz JJUZYIAWPHCLTA-OAQYLSRUSA-N 2 2 388.600 3.750 20 0 GHADLP Cc1ccccc1[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000175757226 836984336 /nfs/dbraw/zinc/98/43/36/836984336.db2.gz JJUZYIAWPHCLTA-OAQYLSRUSA-N 2 2 388.600 3.750 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccc(F)cc1 ZINC000414305618 837001195 /nfs/dbraw/zinc/00/11/95/837001195.db2.gz DMIJJNLLYVNOKE-XBYSBRQOSA-N 2 2 393.506 3.716 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccc(F)cc1 ZINC000414305618 837001199 /nfs/dbraw/zinc/00/11/99/837001199.db2.gz DMIJJNLLYVNOKE-XBYSBRQOSA-N 2 2 393.506 3.716 20 0 GHADLP COC(=O)C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(Br)c1 ZINC000589204544 837222977 /nfs/dbraw/zinc/22/29/77/837222977.db2.gz LICKODWAIADAQE-QGZVFWFLSA-N 2 2 397.357 3.906 20 0 GHADLP Fc1ccccc1Oc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccn1 ZINC000655761572 837837013 /nfs/dbraw/zinc/83/70/13/837837013.db2.gz MDJPHAUBIHBDOR-IBGZPJMESA-N 2 2 385.483 3.746 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CS2 ZINC000655761960 837838368 /nfs/dbraw/zinc/83/83/68/837838368.db2.gz RXEIFTQQNSJDET-NVXWUHKLSA-N 2 2 397.382 3.829 20 0 GHADLP CCO[C@@H](C)c1nc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000177490604 837989070 /nfs/dbraw/zinc/98/90/70/837989070.db2.gz WUVSKTMQMRSAAR-KSZLIROESA-N 2 2 395.613 3.952 20 0 GHADLP CCO[C@@H](C)c1nc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000177490604 837989073 /nfs/dbraw/zinc/98/90/73/837989073.db2.gz WUVSKTMQMRSAAR-KSZLIROESA-N 2 2 395.613 3.952 20 0 GHADLP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CCn4cc[nH+]c4C2)CCC3)cc1 ZINC000547979663 838193552 /nfs/dbraw/zinc/19/35/52/838193552.db2.gz MGYCVSXZANVXKL-RDJZCZTQSA-N 2 2 380.517 3.997 20 0 GHADLP CC[NH2+]Cc1ccccc1NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000415959687 838329831 /nfs/dbraw/zinc/32/98/31/838329831.db2.gz TUQNIMFOOOTESL-UHFFFAOYSA-N 2 2 395.551 3.962 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)o1 ZINC000041816208 838772090 /nfs/dbraw/zinc/77/20/90/838772090.db2.gz AAOJVCAIOVVZTD-SFHVURJKSA-N 2 2 377.916 3.808 20 0 GHADLP Cc1cccnc1OC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000580133338 838941259 /nfs/dbraw/zinc/94/12/59/838941259.db2.gz FHOVGRRSEODKQC-QHCPKHFHSA-N 2 2 395.547 3.524 20 0 GHADLP Cc1cccnc1OC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000580133338 838941269 /nfs/dbraw/zinc/94/12/69/838941269.db2.gz FHOVGRRSEODKQC-QHCPKHFHSA-N 2 2 395.547 3.524 20 0 GHADLP CCc1nc(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)sc1C ZINC000613644839 839056213 /nfs/dbraw/zinc/05/62/13/839056213.db2.gz OFANJVLNNVQFLE-UHFFFAOYSA-N 2 2 378.586 3.540 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCCO2 ZINC000163689642 839076272 /nfs/dbraw/zinc/07/62/72/839076272.db2.gz IJYAABYLALBQLN-QFIPXVFZSA-N 2 2 382.504 3.531 20 0 GHADLP Cc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(F)c1 ZINC000549166052 839125836 /nfs/dbraw/zinc/12/58/36/839125836.db2.gz NIBAIUZPGQUDFR-OAQYLSRUSA-N 2 2 383.511 3.963 20 0 GHADLP Cc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(F)c1 ZINC000549166052 839125841 /nfs/dbraw/zinc/12/58/41/839125841.db2.gz NIBAIUZPGQUDFR-OAQYLSRUSA-N 2 2 383.511 3.963 20 0 GHADLP Brc1ccc(-c2c[nH]c(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000415057088 839139850 /nfs/dbraw/zinc/13/98/50/839139850.db2.gz TWGPUWQSQYXYJH-QAPCUYQASA-N 2 2 389.341 3.803 20 0 GHADLP Brc1ccc(-c2c[nH]c(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000415057088 839139853 /nfs/dbraw/zinc/13/98/53/839139853.db2.gz TWGPUWQSQYXYJH-QAPCUYQASA-N 2 2 389.341 3.803 20 0 GHADLP Cc1nc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc2ccccc12 ZINC000377265284 839208037 /nfs/dbraw/zinc/20/80/37/839208037.db2.gz DVVJDHIJWBSJAP-UHFFFAOYSA-N 3 2 395.595 3.566 20 0 GHADLP Cc1nc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc2ccccc12 ZINC000377265284 839208044 /nfs/dbraw/zinc/20/80/44/839208044.db2.gz DVVJDHIJWBSJAP-UHFFFAOYSA-N 3 2 395.595 3.566 20 0 GHADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000580326897 839284436 /nfs/dbraw/zinc/28/44/36/839284436.db2.gz QIZPWIPSSCJKFV-IBGZPJMESA-N 2 2 380.536 3.636 20 0 GHADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000580326897 839284446 /nfs/dbraw/zinc/28/44/46/839284446.db2.gz QIZPWIPSSCJKFV-IBGZPJMESA-N 2 2 380.536 3.636 20 0 GHADLP CCCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1cc(C)on1 ZINC000066608731 839348678 /nfs/dbraw/zinc/34/86/78/839348678.db2.gz AFMJIYRSLNGHBK-HXUWFJFHSA-N 2 2 384.524 3.735 20 0 GHADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377397213 839436890 /nfs/dbraw/zinc/43/68/90/839436890.db2.gz FTTOMPLTAXEORT-QGZVFWFLSA-N 2 2 379.508 3.684 20 0 GHADLP Cc1ccc(-c2ncc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)s2)cc1C ZINC000656248479 839778135 /nfs/dbraw/zinc/77/81/35/839778135.db2.gz SVTOPGBGPITDFW-UHFFFAOYSA-N 2 2 384.593 3.640 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000656262788 839913916 /nfs/dbraw/zinc/91/39/16/839913916.db2.gz ZGMOWCPSBZPTIW-KSSFIOAISA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000656262788 839913923 /nfs/dbraw/zinc/91/39/23/839913923.db2.gz ZGMOWCPSBZPTIW-KSSFIOAISA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000656262788 839913928 /nfs/dbraw/zinc/91/39/28/839913928.db2.gz ZGMOWCPSBZPTIW-KSSFIOAISA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000656262788 839913935 /nfs/dbraw/zinc/91/39/35/839913935.db2.gz ZGMOWCPSBZPTIW-KSSFIOAISA-N 2 2 391.357 3.715 20 0 GHADLP CCCOc1c(Br)cc(C[N@H+](C)CCCn2cc[nH+]c2)cc1OC ZINC000580637198 839937005 /nfs/dbraw/zinc/93/70/05/839937005.db2.gz YAQKHWNWHKESKI-UHFFFAOYSA-N 2 2 396.329 3.965 20 0 GHADLP CCCOc1c(Br)cc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1OC ZINC000580637198 839937016 /nfs/dbraw/zinc/93/70/16/839937016.db2.gz YAQKHWNWHKESKI-UHFFFAOYSA-N 2 2 396.329 3.965 20 0 GHADLP CCCc1sc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1CC ZINC000601474341 840126673 /nfs/dbraw/zinc/12/66/73/840126673.db2.gz NVESXYJDIWHQTK-SFHVURJKSA-N 2 2 377.598 3.504 20 0 GHADLP CCCc1sc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1CC ZINC000601474341 840126678 /nfs/dbraw/zinc/12/66/78/840126678.db2.gz NVESXYJDIWHQTK-SFHVURJKSA-N 2 2 377.598 3.504 20 0 GHADLP Cc1cccc(C[NH+]2CCN(C(=O)c3oc4ccccc4c3C[NH+](C)C)CC2)c1 ZINC000510347935 840164715 /nfs/dbraw/zinc/16/47/15/840164715.db2.gz KJSDKAHKJIOACD-UHFFFAOYSA-N 2 2 391.515 3.761 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000332763305 844534223 /nfs/dbraw/zinc/53/42/23/844534223.db2.gz YIUPDMKAFUFLAC-GHTZIAJQSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000332763305 844534234 /nfs/dbraw/zinc/53/42/34/844534234.db2.gz YIUPDMKAFUFLAC-GHTZIAJQSA-N 2 2 395.551 3.731 20 0 GHADLP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)CC1 ZINC000364030757 840480746 /nfs/dbraw/zinc/48/07/46/840480746.db2.gz RMKWGAVNVRTHEN-GOSISDBHSA-N 2 2 398.576 3.573 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CC[NH+](C4CCC4)CC3)n2)C1 ZINC000580994267 840569317 /nfs/dbraw/zinc/56/93/17/840569317.db2.gz MTUBUTLOGIJDJP-HNNXBMFYSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CC[NH+](C4CCC4)CC3)n2)C1 ZINC000580994267 840569324 /nfs/dbraw/zinc/56/93/24/840569324.db2.gz MTUBUTLOGIJDJP-HNNXBMFYSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660657146 841064502 /nfs/dbraw/zinc/06/45/02/841064502.db2.gz NYSMVJDWDFTNPK-GLDPYIMESA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660657146 841064509 /nfs/dbraw/zinc/06/45/09/841064509.db2.gz NYSMVJDWDFTNPK-GLDPYIMESA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660657146 841064520 /nfs/dbraw/zinc/06/45/20/841064520.db2.gz NYSMVJDWDFTNPK-GLDPYIMESA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660657146 841064529 /nfs/dbraw/zinc/06/45/29/841064529.db2.gz NYSMVJDWDFTNPK-GLDPYIMESA-N 2 2 379.548 3.823 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000548159928 841093323 /nfs/dbraw/zinc/09/33/23/841093323.db2.gz PXRYTGXHJRJGAA-WTNAPCKOSA-N 2 2 397.950 3.946 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000548159928 841093336 /nfs/dbraw/zinc/09/33/36/841093336.db2.gz PXRYTGXHJRJGAA-WTNAPCKOSA-N 2 2 397.950 3.946 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)Cc1ccccc1 ZINC000052591131 844607069 /nfs/dbraw/zinc/60/70/69/844607069.db2.gz MOMROIRNHKIYOX-HSZRJFAPSA-N 2 2 390.531 3.614 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000417769559 841186816 /nfs/dbraw/zinc/18/68/16/841186816.db2.gz BDPUXUPNMKKXEN-DENIHFKCSA-N 2 2 379.548 3.873 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000417769559 841186823 /nfs/dbraw/zinc/18/68/23/841186823.db2.gz BDPUXUPNMKKXEN-DENIHFKCSA-N 2 2 379.548 3.873 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2C(=O)N(C)C)CC[NH+]1Cc1ccccc1 ZINC000417769559 841186831 /nfs/dbraw/zinc/18/68/31/841186831.db2.gz BDPUXUPNMKKXEN-DENIHFKCSA-N 2 2 379.548 3.873 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2C(=O)N(C)C)CC[NH+]1Cc1ccccc1 ZINC000417769559 841186835 /nfs/dbraw/zinc/18/68/35/841186835.db2.gz BDPUXUPNMKKXEN-DENIHFKCSA-N 2 2 379.548 3.873 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCC[C@H]([NH+](C)C)CC3)c2)CC1 ZINC000277101475 844620180 /nfs/dbraw/zinc/62/01/80/844620180.db2.gz GOQBPYASSSXIAN-PSWAGMNNSA-N 4 2 386.628 3.519 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCC[C@H]([NH+](C)C)CC3)c2)CC1 ZINC000277101475 844620205 /nfs/dbraw/zinc/62/02/05/844620205.db2.gz GOQBPYASSSXIAN-PSWAGMNNSA-N 4 2 386.628 3.519 20 0 GHADLP C[NH+](C)[C@@H]1CCC[NH+](Cc2cccc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)c2)CC1 ZINC000277101475 844620217 /nfs/dbraw/zinc/62/02/17/844620217.db2.gz GOQBPYASSSXIAN-PSWAGMNNSA-N 4 2 386.628 3.519 20 0 GHADLP C[NH+](C)[C@@H]1CCC[NH+](Cc2cccc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)c2)CC1 ZINC000277101475 844620223 /nfs/dbraw/zinc/62/02/23/844620223.db2.gz GOQBPYASSSXIAN-PSWAGMNNSA-N 4 2 386.628 3.519 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)C2)s1 ZINC000581396609 841237919 /nfs/dbraw/zinc/23/79/19/841237919.db2.gz LJOHYKQNKRUYPH-HKJQZYRSSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)C2)s1 ZINC000581396609 841237931 /nfs/dbraw/zinc/23/79/31/841237931.db2.gz LJOHYKQNKRUYPH-HKJQZYRSSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)C2)s1 ZINC000581396609 841237946 /nfs/dbraw/zinc/23/79/46/841237946.db2.gz LJOHYKQNKRUYPH-HKJQZYRSSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)C2)s1 ZINC000581396609 841237954 /nfs/dbraw/zinc/23/79/54/841237954.db2.gz LJOHYKQNKRUYPH-HKJQZYRSSA-N 2 2 391.625 3.894 20 0 GHADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3csc(Cl)c3Cl)CC2)CC1 ZINC000432921035 844633038 /nfs/dbraw/zinc/63/30/38/844633038.db2.gz YEDYJBKSHIGKAQ-UHFFFAOYSA-N 2 2 376.397 3.904 20 0 GHADLP CC[NH+](CC)CC(=O)Nc1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000581511536 841569548 /nfs/dbraw/zinc/56/95/48/841569548.db2.gz PRCJNOMRZOVSLU-UHFFFAOYSA-N 2 2 377.492 3.765 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000129487405 841684033 /nfs/dbraw/zinc/68/40/33/841684033.db2.gz HUFWNEHQRUBVCD-UHFFFAOYSA-N 2 2 378.495 3.808 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000066891246 841937822 /nfs/dbraw/zinc/93/78/22/841937822.db2.gz QGPUBZHKQRJRPD-UHFFFAOYSA-N 2 2 391.519 3.714 20 0 GHADLP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cccc(Cn3cc[nH+]c3C(C)C)c1)CC2 ZINC000581828310 842246609 /nfs/dbraw/zinc/24/66/09/842246609.db2.gz WPNCHGONFNCCQI-SFHVURJKSA-N 2 2 377.492 3.761 20 0 GHADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000512045858 842312147 /nfs/dbraw/zinc/31/21/47/842312147.db2.gz OJRQTTHLMKRHDK-IIBYNOLFSA-N 2 2 389.565 3.620 20 0 GHADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432254119 842398524 /nfs/dbraw/zinc/39/85/24/842398524.db2.gz RDRNBTBSNVXSTG-HOTGVXAUSA-N 2 2 375.315 3.990 20 0 GHADLP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCc3c2c(Br)ccc3F)CCCO1 ZINC000432411685 842406815 /nfs/dbraw/zinc/40/68/15/842406815.db2.gz ABQDZLVPCOGFCG-GUYCJALGSA-N 2 2 385.321 3.666 20 0 GHADLP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2c(Br)ccc3F)CCCO1 ZINC000432411685 842406817 /nfs/dbraw/zinc/40/68/17/842406817.db2.gz ABQDZLVPCOGFCG-GUYCJALGSA-N 2 2 385.321 3.666 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000121485741 842417459 /nfs/dbraw/zinc/41/74/59/842417459.db2.gz OOKYLMCCTHFTMZ-UHFFFAOYSA-N 2 2 388.524 3.627 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000121485741 842417462 /nfs/dbraw/zinc/41/74/62/842417462.db2.gz OOKYLMCCTHFTMZ-UHFFFAOYSA-N 2 2 388.524 3.627 20 0 GHADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000512132206 842596391 /nfs/dbraw/zinc/59/63/91/842596391.db2.gz UHABQKSGTKTJQG-AAEUAGOBSA-N 2 2 377.838 3.760 20 0 GHADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000512132206 842596398 /nfs/dbraw/zinc/59/63/98/842596398.db2.gz UHABQKSGTKTJQG-AAEUAGOBSA-N 2 2 377.838 3.760 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000245948717 842624499 /nfs/dbraw/zinc/62/44/99/842624499.db2.gz WMBZJOZNTJERTN-IZZQQSIFSA-N 2 2 399.501 3.763 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000057613332 842713823 /nfs/dbraw/zinc/71/38/23/842713823.db2.gz GMERAEIVPSVDOM-IAGOWNOFSA-N 2 2 390.572 3.607 20 0 GHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[NH+](C)C ZINC000510527299 842905690 /nfs/dbraw/zinc/90/56/90/842905690.db2.gz WUIOMUCHRJJJTE-GCJKJVERSA-N 2 2 376.504 3.661 20 0 GHADLP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000430792447 842992482 /nfs/dbraw/zinc/99/24/82/842992482.db2.gz RMRSNXRNFUAVGD-UYVZPMHFSA-N 2 2 397.607 3.832 20 0 GHADLP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000430792447 842992489 /nfs/dbraw/zinc/99/24/89/842992489.db2.gz RMRSNXRNFUAVGD-UYVZPMHFSA-N 2 2 397.607 3.832 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc(OC)c1OC ZINC000512213840 843108645 /nfs/dbraw/zinc/10/86/45/843108645.db2.gz UHHZLNIFVVZEQT-ROUUACIJSA-N 2 2 376.541 3.799 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc(OC)c1OC ZINC000512213840 843108650 /nfs/dbraw/zinc/10/86/50/843108650.db2.gz UHHZLNIFVVZEQT-ROUUACIJSA-N 2 2 376.541 3.799 20 0 GHADLP COc1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc(OC)c1OC ZINC000512213840 843108655 /nfs/dbraw/zinc/10/86/55/843108655.db2.gz UHHZLNIFVVZEQT-ROUUACIJSA-N 2 2 376.541 3.799 20 0 GHADLP COc1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc(OC)c1OC ZINC000512213840 843108662 /nfs/dbraw/zinc/10/86/62/843108662.db2.gz UHHZLNIFVVZEQT-ROUUACIJSA-N 2 2 376.541 3.799 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2nc(-c3ccco3)cs2)CC1 ZINC000512258129 843246980 /nfs/dbraw/zinc/24/69/80/843246980.db2.gz CGMOKSDQGNPKNC-UHFFFAOYSA-N 2 2 390.553 3.786 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2nc(-c3ccco3)cs2)CC1 ZINC000512258129 843246982 /nfs/dbraw/zinc/24/69/82/843246982.db2.gz CGMOKSDQGNPKNC-UHFFFAOYSA-N 2 2 390.553 3.786 20 0 GHADLP COc1cccc(C(=O)N2CCC([N@H+](C3CCCC3)C3CC[NH+](C)CC3)CC2)c1 ZINC001167888989 843264201 /nfs/dbraw/zinc/26/42/01/843264201.db2.gz XAPNCDFEBSGHFB-UHFFFAOYSA-N 2 2 399.579 3.639 20 0 GHADLP COc1cccc(C(=O)N2CCC([N@@H+](C3CCCC3)C3CC[NH+](C)CC3)CC2)c1 ZINC001167888989 843264208 /nfs/dbraw/zinc/26/42/08/843264208.db2.gz XAPNCDFEBSGHFB-UHFFFAOYSA-N 2 2 399.579 3.639 20 0 GHADLP COc1cc(Br)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663347750 843270493 /nfs/dbraw/zinc/27/04/93/843270493.db2.gz UKBGSTIUBDPMLY-HNNXBMFYSA-N 2 2 397.357 3.678 20 0 GHADLP COc1cc(Br)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663347750 843270503 /nfs/dbraw/zinc/27/05/03/843270503.db2.gz UKBGSTIUBDPMLY-HNNXBMFYSA-N 2 2 397.357 3.678 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512275091 843297639 /nfs/dbraw/zinc/29/76/39/843297639.db2.gz CZORKOPNGXOXPB-OFVILXPXSA-N 2 2 391.559 3.632 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512275091 843297646 /nfs/dbraw/zinc/29/76/46/843297646.db2.gz CZORKOPNGXOXPB-OFVILXPXSA-N 2 2 391.559 3.632 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512275091 843297653 /nfs/dbraw/zinc/29/76/53/843297653.db2.gz CZORKOPNGXOXPB-OFVILXPXSA-N 2 2 391.559 3.632 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512275091 843297655 /nfs/dbraw/zinc/29/76/55/843297655.db2.gz CZORKOPNGXOXPB-OFVILXPXSA-N 2 2 391.559 3.632 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1F ZINC000512278520 843310185 /nfs/dbraw/zinc/31/01/85/843310185.db2.gz QLPCARYIOPRJFG-QHCPKHFHSA-N 2 2 382.479 3.710 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1F ZINC000512278520 843310198 /nfs/dbraw/zinc/31/01/98/843310198.db2.gz QLPCARYIOPRJFG-QHCPKHFHSA-N 2 2 382.479 3.710 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1F ZINC000512278520 843310210 /nfs/dbraw/zinc/31/02/10/843310210.db2.gz QLPCARYIOPRJFG-QHCPKHFHSA-N 2 2 382.479 3.710 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1F ZINC000512278520 843310223 /nfs/dbraw/zinc/31/02/23/843310223.db2.gz QLPCARYIOPRJFG-QHCPKHFHSA-N 2 2 382.479 3.710 20 0 GHADLP CN(C(=O)Nc1cc(Cl)ccn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000500442142 843359268 /nfs/dbraw/zinc/35/92/68/843359268.db2.gz PMIALRZSMGGJOO-QZTJIDSGSA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1cc(Cl)ccn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000500442142 843359278 /nfs/dbraw/zinc/35/92/78/843359278.db2.gz PMIALRZSMGGJOO-QZTJIDSGSA-N 2 2 393.963 3.536 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418682307 843530407 /nfs/dbraw/zinc/53/04/07/843530407.db2.gz WHBRYPLJUPXUPY-XLIONFOSSA-N 2 2 386.565 3.617 20 0 GHADLP C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000165574178 843573849 /nfs/dbraw/zinc/57/38/49/843573849.db2.gz FVYGSSGFBGSAHQ-SFHVURJKSA-N 2 2 376.504 3.555 20 0 GHADLP CCC[N@H+](Cc1csc(-c2cccc(OC)c2OC)n1)C1CC[NH2+]CC1 ZINC000431082857 843577963 /nfs/dbraw/zinc/57/79/63/843577963.db2.gz WGZUEUNNRFGKFP-UHFFFAOYSA-N 2 2 375.538 3.791 20 0 GHADLP CCC[N@@H+](Cc1csc(-c2cccc(OC)c2OC)n1)C1CC[NH2+]CC1 ZINC000431082857 843577974 /nfs/dbraw/zinc/57/79/74/843577974.db2.gz WGZUEUNNRFGKFP-UHFFFAOYSA-N 2 2 375.538 3.791 20 0 GHADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cc(-c2ccccc2Cl)on1 ZINC000419276692 843802162 /nfs/dbraw/zinc/80/21/62/843802162.db2.gz KWWHDWPNNLGEJX-UHFFFAOYSA-N 2 2 390.959 3.845 20 0 GHADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cc(-c2ccccc2Cl)on1 ZINC000419276692 843802169 /nfs/dbraw/zinc/80/21/69/843802169.db2.gz KWWHDWPNNLGEJX-UHFFFAOYSA-N 2 2 390.959 3.845 20 0 GHADLP O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052003908 843843007 /nfs/dbraw/zinc/84/30/07/843843007.db2.gz SJXROZSMYVEVHF-QGZVFWFLSA-N 2 2 387.351 3.683 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000303487906 845215734 /nfs/dbraw/zinc/21/57/34/845215734.db2.gz POYKAYGJJZGXCX-LJQANCHMSA-N 2 2 395.547 3.793 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000303487906 845215744 /nfs/dbraw/zinc/21/57/44/845215744.db2.gz POYKAYGJJZGXCX-LJQANCHMSA-N 2 2 395.547 3.793 20 0 GHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCC2CCN(CC(F)(F)F)CC2)CC1 ZINC000513341214 845245954 /nfs/dbraw/zinc/24/59/54/845245954.db2.gz SANTUMMOFZFIBW-UHFFFAOYSA-N 2 2 389.428 3.657 20 0 GHADLP CSc1cc2c(cc1C[N@@H+]1CC[C@@H](n3c[nH+]c4c3CCCC4)C1)OCCO2 ZINC000433763100 845324313 /nfs/dbraw/zinc/32/43/13/845324313.db2.gz UMCRXWATDKVFME-MRXNPFEDSA-N 2 2 385.533 3.702 20 0 GHADLP CSc1cc2c(cc1C[N@H+]1CC[C@@H](n3c[nH+]c4c3CCCC4)C1)OCCO2 ZINC000433763100 845324325 /nfs/dbraw/zinc/32/43/25/845324325.db2.gz UMCRXWATDKVFME-MRXNPFEDSA-N 2 2 385.533 3.702 20 0 GHADLP C[C@H]1C[C@@H](CCNc2cc(N3CCSCC3)[nH+]cn2)C[N@@H+]1Cc1ccccc1 ZINC000433765394 845330088 /nfs/dbraw/zinc/33/00/88/845330088.db2.gz HUHQFOPCJWIRTG-AZUAARDMSA-N 2 2 397.592 3.742 20 0 GHADLP C[C@H]1C[C@@H](CCNc2cc(N3CCSCC3)[nH+]cn2)C[N@H+]1Cc1ccccc1 ZINC000433765394 845330097 /nfs/dbraw/zinc/33/00/97/845330097.db2.gz HUHQFOPCJWIRTG-AZUAARDMSA-N 2 2 397.592 3.742 20 0 GHADLP C[C@H]1C[C@@H](CCNc2cc(N3CCSCC3)nc[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000433765394 845330106 /nfs/dbraw/zinc/33/01/06/845330106.db2.gz HUHQFOPCJWIRTG-AZUAARDMSA-N 2 2 397.592 3.742 20 0 GHADLP C[C@H]1C[C@@H](CCNc2cc(N3CCSCC3)nc[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000433765394 845330113 /nfs/dbraw/zinc/33/01/13/845330113.db2.gz HUHQFOPCJWIRTG-AZUAARDMSA-N 2 2 397.592 3.742 20 0 GHADLP Cc1cc(F)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000124576655 845540853 /nfs/dbraw/zinc/54/08/53/845540853.db2.gz FSBAMFKWQFJOJR-SFTDATJTSA-N 2 2 393.522 3.682 20 0 GHADLP Cc1cc(F)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000124576655 845540860 /nfs/dbraw/zinc/54/08/60/845540860.db2.gz FSBAMFKWQFJOJR-SFTDATJTSA-N 2 2 393.522 3.682 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000673751313 861579917 /nfs/dbraw/zinc/57/99/17/861579917.db2.gz UGNIRJZZHIQILZ-FQEVSTJZSA-N 2 2 388.515 3.668 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000673751313 861579930 /nfs/dbraw/zinc/57/99/30/861579930.db2.gz UGNIRJZZHIQILZ-FQEVSTJZSA-N 2 2 388.515 3.668 20 0 GHADLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000512802762 845566788 /nfs/dbraw/zinc/56/67/88/845566788.db2.gz WKFKJZKJHCTYIQ-UHFFFAOYSA-N 2 2 382.548 3.913 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c(C)c1 ZINC000433958489 845668626 /nfs/dbraw/zinc/66/86/26/845668626.db2.gz OOBWVPPYKOQQMT-RBBKRZOGSA-N 2 2 395.551 3.557 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c(C)c1 ZINC000433958489 845668632 /nfs/dbraw/zinc/66/86/32/845668632.db2.gz OOBWVPPYKOQQMT-RBBKRZOGSA-N 2 2 395.551 3.557 20 0 GHADLP CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001167529233 846071117 /nfs/dbraw/zinc/07/11/17/846071117.db2.gz FGDLEYQBHGVCAF-XMMPIXPASA-N 2 2 382.548 3.538 20 0 GHADLP CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001167529233 846071123 /nfs/dbraw/zinc/07/11/23/846071123.db2.gz FGDLEYQBHGVCAF-XMMPIXPASA-N 2 2 382.548 3.538 20 0 GHADLP O=C(Nc1cccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1)C1CCCC1 ZINC000657316463 846150138 /nfs/dbraw/zinc/15/01/38/846150138.db2.gz HKGDJWYTKXZJKE-UHFFFAOYSA-N 2 2 375.476 3.686 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502561335 846206482 /nfs/dbraw/zinc/20/64/82/846206482.db2.gz QEBRFCOYPPXPCV-XFQXTVEOSA-N 2 2 381.923 3.605 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502561335 846206491 /nfs/dbraw/zinc/20/64/91/846206491.db2.gz QEBRFCOYPPXPCV-XFQXTVEOSA-N 2 2 381.923 3.605 20 0 GHADLP C[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502561335 846206495 /nfs/dbraw/zinc/20/64/95/846206495.db2.gz QEBRFCOYPPXPCV-XFQXTVEOSA-N 2 2 381.923 3.605 20 0 GHADLP C[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502561335 846206506 /nfs/dbraw/zinc/20/65/06/846206506.db2.gz QEBRFCOYPPXPCV-XFQXTVEOSA-N 2 2 381.923 3.605 20 0 GHADLP Cc1ccc(-c2ncc(C[NH+]3CCN(C[C@H]4CCCC[N@H+]4C)CC3)s2)cc1 ZINC000513678119 846225282 /nfs/dbraw/zinc/22/52/82/846225282.db2.gz IETMHROAVAMIJJ-HXUWFJFHSA-N 2 2 384.593 3.720 20 0 GHADLP Cc1ccc(-c2ncc(C[NH+]3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)s2)cc1 ZINC000513678119 846225290 /nfs/dbraw/zinc/22/52/90/846225290.db2.gz IETMHROAVAMIJJ-HXUWFJFHSA-N 2 2 384.593 3.720 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000280242269 846334551 /nfs/dbraw/zinc/33/45/51/846334551.db2.gz KBAWIGVZDPFXRO-MRXNPFEDSA-N 2 2 396.926 3.631 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(F)c(F)c1F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000657349258 846428423 /nfs/dbraw/zinc/42/84/23/846428423.db2.gz PBWFMTRFFOQTKE-CYBMUJFWSA-N 2 2 381.417 3.846 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1sccc1NC(=O)OC(C)(C)C ZINC000892235194 846742561 /nfs/dbraw/zinc/74/25/61/846742561.db2.gz UEXUXJHPYLAOSV-OIISXLGYSA-N 2 2 395.569 3.779 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1sccc1NC(=O)OC(C)(C)C ZINC000892235194 846742566 /nfs/dbraw/zinc/74/25/66/846742566.db2.gz UEXUXJHPYLAOSV-OIISXLGYSA-N 2 2 395.569 3.779 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(F)c4ccccc4c3)CC2)CC1 ZINC000422022725 846754890 /nfs/dbraw/zinc/75/48/90/846754890.db2.gz PIFOPLGWDQIIQH-UHFFFAOYSA-N 2 2 383.511 3.611 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(F)c4ccccc4c3)CC2)CC1 ZINC000422022725 846754901 /nfs/dbraw/zinc/75/49/01/846754901.db2.gz PIFOPLGWDQIIQH-UHFFFAOYSA-N 2 2 383.511 3.611 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)c3ccc4ccccc4c3)CC2)CC1 ZINC000422025483 846755078 /nfs/dbraw/zinc/75/50/78/846755078.db2.gz SANJHRYMAANWMH-FQEVSTJZSA-N 2 2 393.575 3.962 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)c3ccc4ccccc4c3)CC2)CC1 ZINC000422025483 846755089 /nfs/dbraw/zinc/75/50/89/846755089.db2.gz SANJHRYMAANWMH-FQEVSTJZSA-N 2 2 393.575 3.962 20 0 GHADLP CCCn1c(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)cc2ccccc21 ZINC000422024797 846756703 /nfs/dbraw/zinc/75/67/03/846756703.db2.gz RFBLMAQRTSPHFX-UHFFFAOYSA-N 2 2 396.579 3.684 20 0 GHADLP CCCn1c(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)cc2ccccc21 ZINC000422024797 846756704 /nfs/dbraw/zinc/75/67/04/846756704.db2.gz RFBLMAQRTSPHFX-UHFFFAOYSA-N 2 2 396.579 3.684 20 0 GHADLP COCCOc1ccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000272182648 847010723 /nfs/dbraw/zinc/01/07/23/847010723.db2.gz GBXUDHWRUCRZDB-GOSISDBHSA-N 2 2 398.551 3.810 20 0 GHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)n1 ZINC000420234968 847066481 /nfs/dbraw/zinc/06/64/81/847066481.db2.gz HYBZXRLGPPNUMD-CALCHBBNSA-N 2 2 393.560 3.751 20 0 GHADLP C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272420647 847073273 /nfs/dbraw/zinc/07/32/73/847073273.db2.gz GLSSSUMVDZRFME-CVDCTZTESA-N 2 2 388.515 3.572 20 0 GHADLP C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272420647 847073281 /nfs/dbraw/zinc/07/32/81/847073281.db2.gz GLSSSUMVDZRFME-CVDCTZTESA-N 2 2 388.515 3.572 20 0 GHADLP C[C@@H](c1nnc(SCC[C@H]2CCCC[N@@H+]2C)n1-c1ccc(F)cc1)[NH+](C)C ZINC000501658200 847079448 /nfs/dbraw/zinc/07/94/48/847079448.db2.gz MHNLHSDSCGEHMA-DOTOQJQBSA-N 2 2 391.560 3.996 20 0 GHADLP C[C@@H](c1nnc(SCC[C@H]2CCCC[N@H+]2C)n1-c1ccc(F)cc1)[NH+](C)C ZINC000501658200 847079455 /nfs/dbraw/zinc/07/94/55/847079455.db2.gz MHNLHSDSCGEHMA-DOTOQJQBSA-N 2 2 391.560 3.996 20 0 GHADLP O=C(C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1F)Nc1ccccc1F ZINC000420318334 847113989 /nfs/dbraw/zinc/11/39/89/847113989.db2.gz OMMOPJFGOOJMOM-KRWDZBQOSA-N 2 2 387.474 3.795 20 0 GHADLP O=C(C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1F)Nc1ccccc1F ZINC000420318334 847113997 /nfs/dbraw/zinc/11/39/97/847113997.db2.gz OMMOPJFGOOJMOM-KRWDZBQOSA-N 2 2 387.474 3.795 20 0 GHADLP Cc1sc(NC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)nc1-c1ccc(Cl)cc1 ZINC000420357377 847137419 /nfs/dbraw/zinc/13/74/19/847137419.db2.gz HNOKRSNKBOEWGS-OAHLLOKOSA-N 2 2 392.956 3.688 20 0 GHADLP CN(C(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000420381727 847149626 /nfs/dbraw/zinc/14/96/26/847149626.db2.gz ZIMGKQSIVBXVHQ-ISKFKSNPSA-N 2 2 397.538 3.871 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420392636 847156726 /nfs/dbraw/zinc/15/67/26/847156726.db2.gz JADNXCROEWUEKK-LAUBAEHRSA-N 2 2 381.520 3.684 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420392636 847156734 /nfs/dbraw/zinc/15/67/34/847156734.db2.gz JADNXCROEWUEKK-LAUBAEHRSA-N 2 2 381.520 3.684 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420394051 847158546 /nfs/dbraw/zinc/15/85/46/847158546.db2.gz CLHVYCWYFHQMPV-GRYCIOLGSA-N 2 2 377.838 3.603 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420394051 847158553 /nfs/dbraw/zinc/15/85/53/847158553.db2.gz CLHVYCWYFHQMPV-GRYCIOLGSA-N 2 2 377.838 3.603 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420406345 847170211 /nfs/dbraw/zinc/17/02/11/847170211.db2.gz NSIBZVOUQYEREN-KPLVRAHFSA-N 2 2 381.520 3.682 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420406345 847170214 /nfs/dbraw/zinc/17/02/14/847170214.db2.gz NSIBZVOUQYEREN-KPLVRAHFSA-N 2 2 381.520 3.682 20 0 GHADLP CN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434179985 847190698 /nfs/dbraw/zinc/19/06/98/847190698.db2.gz ANQHDWFXTZPDCP-UHFFFAOYSA-N 2 2 390.487 3.624 20 0 GHADLP COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000420898097 847517347 /nfs/dbraw/zinc/51/73/47/847517347.db2.gz DKFRQLMUFQKBQM-JOCHJYFZSA-N 2 2 396.531 3.873 20 0 GHADLP COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000420898097 847517355 /nfs/dbraw/zinc/51/73/55/847517355.db2.gz DKFRQLMUFQKBQM-JOCHJYFZSA-N 2 2 396.531 3.873 20 0 GHADLP CN1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000420957973 847578443 /nfs/dbraw/zinc/57/84/43/847578443.db2.gz DHPROMJUSLKOBN-PKTZIBPZSA-N 2 2 399.966 3.707 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503375719 847650602 /nfs/dbraw/zinc/65/06/02/847650602.db2.gz MCQVZEKKBUVYGZ-FPOVZHCZSA-N 2 2 394.563 3.754 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503375719 847650609 /nfs/dbraw/zinc/65/06/09/847650609.db2.gz MCQVZEKKBUVYGZ-FPOVZHCZSA-N 2 2 394.563 3.754 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccccc3C(C)(F)F)CC2)CC1 ZINC000421118678 847739717 /nfs/dbraw/zinc/73/97/17/847739717.db2.gz VNWVLHFZHQCMEB-UHFFFAOYSA-N 2 2 394.510 3.822 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccccc3C(C)(F)F)CC2)CC1 ZINC000421118678 847739723 /nfs/dbraw/zinc/73/97/23/847739723.db2.gz VNWVLHFZHQCMEB-UHFFFAOYSA-N 2 2 394.510 3.822 20 0 GHADLP CC[C@@H]1C[C@@H](C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC000503582298 847802814 /nfs/dbraw/zinc/80/28/14/847802814.db2.gz YHKKRNYPJXDULC-GHTZIAJQSA-N 2 2 379.976 3.647 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(CCC[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000827981067 848048778 /nfs/dbraw/zinc/04/87/78/848048778.db2.gz WSIGQARZUCSDNK-UHFFFAOYSA-N 2 2 376.545 3.947 20 0 GHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001167636613 848668742 /nfs/dbraw/zinc/66/87/42/848668742.db2.gz UKUADQYAFUCEKG-UXHICEINSA-N 2 2 379.589 3.972 20 0 GHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001167636613 848668746 /nfs/dbraw/zinc/66/87/46/848668746.db2.gz UKUADQYAFUCEKG-UXHICEINSA-N 2 2 379.589 3.972 20 0 GHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001167636613 848668748 /nfs/dbraw/zinc/66/87/48/848668748.db2.gz UKUADQYAFUCEKG-UXHICEINSA-N 2 2 379.589 3.972 20 0 GHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001167636613 848668751 /nfs/dbraw/zinc/66/87/51/848668751.db2.gz UKUADQYAFUCEKG-UXHICEINSA-N 2 2 379.589 3.972 20 0 GHADLP CCC(CC)[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000604173455 861929353 /nfs/dbraw/zinc/92/93/53/861929353.db2.gz KPPHGEDSIVCJHE-IFMALSPDSA-N 2 2 386.584 3.632 20 0 GHADLP CCC(CC)[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000604173455 861929365 /nfs/dbraw/zinc/92/93/65/861929365.db2.gz KPPHGEDSIVCJHE-IFMALSPDSA-N 2 2 386.584 3.632 20 0 GHADLP [NH3+][C@H](CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000237889793 848775773 /nfs/dbraw/zinc/77/57/73/848775773.db2.gz FLAVZYDTALTHBM-GOSISDBHSA-N 2 2 392.528 3.730 20 0 GHADLP [NH3+][C@H](CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000237889793 848775779 /nfs/dbraw/zinc/77/57/79/848775779.db2.gz FLAVZYDTALTHBM-GOSISDBHSA-N 2 2 392.528 3.730 20 0 GHADLP [NH3+][C@@H](CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000237913537 848793225 /nfs/dbraw/zinc/79/32/25/848793225.db2.gz FLAVZYDTALTHBM-SFHVURJKSA-N 2 2 392.528 3.730 20 0 GHADLP [NH3+][C@@H](CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000237913537 848793230 /nfs/dbraw/zinc/79/32/30/848793230.db2.gz FLAVZYDTALTHBM-SFHVURJKSA-N 2 2 392.528 3.730 20 0 GHADLP C[NH+](C)C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000583275539 849501248 /nfs/dbraw/zinc/50/12/48/849501248.db2.gz KPNOKLTXPDBEDX-FQEVSTJZSA-N 2 2 382.895 3.618 20 0 GHADLP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750968 849621493 /nfs/dbraw/zinc/62/14/93/849621493.db2.gz LXONZUKVSSWMJP-DYESRHJHSA-N 2 2 377.548 3.651 20 0 GHADLP C[C@H](C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732062698 862051527 /nfs/dbraw/zinc/05/15/27/862051527.db2.gz WJNMFEHQUKFKKZ-DENIHFKCSA-N 2 2 396.579 3.757 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000423164467 849779558 /nfs/dbraw/zinc/77/95/58/849779558.db2.gz SOUSYJOVQSBCST-POAQFYNOSA-N 2 2 381.545 3.937 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC[NH2+]Cc3cccnc3)[C@@H]3CCC[C@H]32)cc1 ZINC000423180256 849788853 /nfs/dbraw/zinc/78/88/53/849788853.db2.gz AONXGRGLLQJAOX-KMDXXIMOSA-N 3 2 378.564 3.594 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[NH2+]Cc3cccnc3)[C@@H]3CCC[C@H]32)cc1 ZINC000423180256 849788858 /nfs/dbraw/zinc/78/88/58/849788858.db2.gz AONXGRGLLQJAOX-KMDXXIMOSA-N 3 2 378.564 3.594 20 0 GHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000423245684 849826313 /nfs/dbraw/zinc/82/63/13/849826313.db2.gz PEXFVHKLLXSXHM-MGPUTAFESA-N 2 2 375.538 3.532 20 0 GHADLP CC(C)(C)C1=CC[N@@H+](CCNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425251324 849926520 /nfs/dbraw/zinc/92/65/20/849926520.db2.gz FIYDPWXNPKJJCL-HXUWFJFHSA-N 2 2 380.536 3.726 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423432073 849928764 /nfs/dbraw/zinc/92/87/64/849928764.db2.gz JBWPEDLYCUXYNF-HBGVWJBISA-N 2 2 380.536 3.766 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423432073 849928775 /nfs/dbraw/zinc/92/87/75/849928775.db2.gz JBWPEDLYCUXYNF-HBGVWJBISA-N 2 2 380.536 3.766 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000504209660 849959235 /nfs/dbraw/zinc/95/92/35/849959235.db2.gz GZFKYRHYLFIERT-YWMUFLPLSA-N 2 2 397.485 3.620 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000504209660 849959246 /nfs/dbraw/zinc/95/92/46/849959246.db2.gz GZFKYRHYLFIERT-YWMUFLPLSA-N 2 2 397.485 3.620 20 0 GHADLP CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000504209660 849959250 /nfs/dbraw/zinc/95/92/50/849959250.db2.gz GZFKYRHYLFIERT-YWMUFLPLSA-N 2 2 397.485 3.620 20 0 GHADLP CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000504209660 849959260 /nfs/dbraw/zinc/95/92/60/849959260.db2.gz GZFKYRHYLFIERT-YWMUFLPLSA-N 2 2 397.485 3.620 20 0 GHADLP CC[NH+](CC)CCCC1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000504231961 849970415 /nfs/dbraw/zinc/97/04/15/849970415.db2.gz AXJMHQOUWZWXRI-UHFFFAOYSA-N 2 2 382.552 3.906 20 0 GHADLP CC(C)[C@H](CC1CCCCC1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604331520 862089687 /nfs/dbraw/zinc/08/96/87/862089687.db2.gz RFKRSVVWJZVINB-YADHBBJMSA-N 2 2 377.617 3.856 20 0 GHADLP CC(C)[C@H](CC1CCCCC1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604331520 862089702 /nfs/dbraw/zinc/08/97/02/862089702.db2.gz RFKRSVVWJZVINB-YADHBBJMSA-N 2 2 377.617 3.856 20 0 GHADLP CN(C(=O)c1cc[nH]c1C1CCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486827016 850147042 /nfs/dbraw/zinc/14/70/42/850147042.db2.gz XLQWTDDWOANVMR-RTWAWAEBSA-N 2 2 386.584 3.691 20 0 GHADLP CN(C(=O)c1cc[nH]c1C1CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486827016 850147051 /nfs/dbraw/zinc/14/70/51/850147051.db2.gz XLQWTDDWOANVMR-RTWAWAEBSA-N 2 2 386.584 3.691 20 0 GHADLP O=C(NCCCCC[NH+]1CCCC1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000458851122 850184503 /nfs/dbraw/zinc/18/45/03/850184503.db2.gz MLDATGHICJLOKD-VXKWHMMOSA-N 2 2 395.551 3.677 20 0 GHADLP FC(F)(F)c1cccc(N2CC[NH+](CCC[NH2+]C[C@H]3CCSC3)CC2)c1 ZINC000486926287 850250607 /nfs/dbraw/zinc/25/06/07/850250607.db2.gz IIWHJOGDLBEIDB-MRXNPFEDSA-N 2 2 387.515 3.560 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000514760391 850256528 /nfs/dbraw/zinc/25/65/28/850256528.db2.gz LLIDSXJOGXIJML-OALUTQOASA-N 2 2 393.531 3.990 20 0 GHADLP CCOc1cc2[nH+]ccc(NC[C@@H]3CCCn4cc(C)[nH+]c43)c2cc1OCC ZINC000443893636 862112121 /nfs/dbraw/zinc/11/21/21/862112121.db2.gz FMJHYOHGIWKYLC-INIZCTEOSA-N 2 2 380.492 3.949 20 0 GHADLP [NH3+][C@H](CCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)CC1CCCCC1 ZINC000424333849 850369340 /nfs/dbraw/zinc/36/93/40/850369340.db2.gz FCJZTUYTOTXUNK-OAQYLSRUSA-N 2 2 398.551 3.799 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000669714391 862124902 /nfs/dbraw/zinc/12/49/02/862124902.db2.gz BEFLBHMJZXHJNE-HXUWFJFHSA-N 3 2 382.552 3.539 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000669714391 862124913 /nfs/dbraw/zinc/12/49/13/862124913.db2.gz BEFLBHMJZXHJNE-HXUWFJFHSA-N 3 2 382.552 3.539 20 0 GHADLP COc1ccc(C(=O)Nc2cccc(C[NH+]3CCC([NH2+]CC4CC4)CC3)c2)cc1 ZINC000435374150 850423230 /nfs/dbraw/zinc/42/32/30/850423230.db2.gz WMHOAQRUXAODOW-UHFFFAOYSA-N 2 2 393.531 3.912 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2cc(C)cc(C[NH3+])c2)c(C)c1 ZINC000424437774 850449779 /nfs/dbraw/zinc/44/97/79/850449779.db2.gz ONBGILGGXHOJDC-NRFANRHFSA-N 2 2 377.492 3.830 20 0 GHADLP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000424424914 850459435 /nfs/dbraw/zinc/45/94/35/850459435.db2.gz IWVPXGPQQNRPAY-RBUKOAKNSA-N 2 2 390.890 3.813 20 0 GHADLP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000424424914 850459439 /nfs/dbraw/zinc/45/94/39/850459439.db2.gz IWVPXGPQQNRPAY-RBUKOAKNSA-N 2 2 390.890 3.813 20 0 GHADLP Cc1scc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000180480068 862163282 /nfs/dbraw/zinc/16/32/82/862163282.db2.gz VLAXMQLLBKNNKH-UXHICEINSA-N 2 2 377.598 3.774 20 0 GHADLP Cc1scc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000180480068 862163286 /nfs/dbraw/zinc/16/32/86/862163286.db2.gz VLAXMQLLBKNNKH-UXHICEINSA-N 2 2 377.598 3.774 20 0 GHADLP FC(F)Oc1ccc(Cl)cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513817780 850909845 /nfs/dbraw/zinc/90/98/45/850909845.db2.gz OSCAMMUGAWXNLT-UHFFFAOYSA-N 2 2 388.886 3.876 20 0 GHADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000414845164 851075708 /nfs/dbraw/zinc/07/57/08/851075708.db2.gz LTXWVQWERGRWDL-OXJNMPFZSA-N 2 2 399.535 3.834 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC(C)(C)C[C@H]3c3ccccc3)CC2)CC1 ZINC000425444213 851125829 /nfs/dbraw/zinc/12/58/29/851125829.db2.gz LZUJXSGNJHCPIK-QFIPXVFZSA-N 2 2 398.595 3.728 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000514077630 851210824 /nfs/dbraw/zinc/21/08/24/851210824.db2.gz WEISMNNJXCBCHD-NRFANRHFSA-N 2 2 379.548 3.649 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000514077630 851210829 /nfs/dbraw/zinc/21/08/29/851210829.db2.gz WEISMNNJXCBCHD-NRFANRHFSA-N 2 2 379.548 3.649 20 0 GHADLP C[C@H](c1nnc(SC[C@@H]2CC[N@H+](C)C2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000473794786 852072593 /nfs/dbraw/zinc/07/25/93/852072593.db2.gz NFJHGLBHMMEWIB-QZTJIDSGSA-N 2 2 385.581 3.858 20 0 GHADLP C[C@H](c1nnc(SC[C@@H]2CC[N@@H+](C)C2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000473794786 852072604 /nfs/dbraw/zinc/07/26/04/852072604.db2.gz NFJHGLBHMMEWIB-QZTJIDSGSA-N 2 2 385.581 3.858 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@H]3[C@H](C)C[N@@H+](Cc4ccccc4)C[C@@H]3C)ccc2[nH+]1 ZINC000473800703 852085713 /nfs/dbraw/zinc/08/57/13/852085713.db2.gz SEGMDKTYBNGVPZ-YPGOJHLTSA-N 2 2 391.519 3.921 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@H]3[C@H](C)C[N@H+](Cc4ccccc4)C[C@@H]3C)ccc2[nH+]1 ZINC000473800703 852085726 /nfs/dbraw/zinc/08/57/26/852085726.db2.gz SEGMDKTYBNGVPZ-YPGOJHLTSA-N 2 2 391.519 3.921 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NCC1CCCCC1 ZINC000489460881 852359305 /nfs/dbraw/zinc/35/93/05/852359305.db2.gz WPSXLYXUODMVDU-LJQANCHMSA-N 2 2 386.584 3.705 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NCC1CCCCC1 ZINC000489460881 852359309 /nfs/dbraw/zinc/35/93/09/852359309.db2.gz WPSXLYXUODMVDU-LJQANCHMSA-N 2 2 386.584 3.705 20 0 GHADLP CN(C(=O)/C=C\c1ccc(C(C)(C)C)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732558917 862357600 /nfs/dbraw/zinc/35/76/00/862357600.db2.gz DTKHHZMEJJQCBT-KKCDMYQCSA-N 2 2 383.580 3.624 20 0 GHADLP CN(C(=O)/C=C\c1ccc(C(C)(C)C)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732558917 862357618 /nfs/dbraw/zinc/35/76/18/862357618.db2.gz DTKHHZMEJJQCBT-KKCDMYQCSA-N 2 2 383.580 3.624 20 0 GHADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426038383 852496475 /nfs/dbraw/zinc/49/64/75/852496475.db2.gz ZBZSSNZOKSONCO-FCHUYYIVSA-N 2 2 387.955 3.701 20 0 GHADLP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000438563541 852559780 /nfs/dbraw/zinc/55/97/80/852559780.db2.gz VEWCHHGVQKDXAX-QFIPXVFZSA-N 2 2 383.511 3.923 20 0 GHADLP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000438563541 852559787 /nfs/dbraw/zinc/55/97/87/852559787.db2.gz VEWCHHGVQKDXAX-QFIPXVFZSA-N 2 2 383.511 3.923 20 0 GHADLP CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)[C@@H](C)C1 ZINC000425676458 852597374 /nfs/dbraw/zinc/59/73/74/852597374.db2.gz SHAKRDTUVZPPLJ-JXFKEZNVSA-N 2 2 381.524 3.737 20 0 GHADLP CC(C)[N@@H+]1C[C@H](NC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)[C@@H](C)C1 ZINC000425676458 852597376 /nfs/dbraw/zinc/59/73/76/852597376.db2.gz SHAKRDTUVZPPLJ-JXFKEZNVSA-N 2 2 381.524 3.737 20 0 GHADLP OC(C[NH+]1CC[C@H](c2cccc(F)c2)C1)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000489845108 852604315 /nfs/dbraw/zinc/60/43/15/852604315.db2.gz MFCMDIYYCZYJPI-PMACEKPBSA-N 2 2 386.486 3.605 20 0 GHADLP OC(C[NH+]1CC[C@H](c2cccc(F)c2)C1)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000489845108 852604318 /nfs/dbraw/zinc/60/43/18/852604318.db2.gz MFCMDIYYCZYJPI-PMACEKPBSA-N 2 2 386.486 3.605 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)CC(C)C ZINC000516720426 852919041 /nfs/dbraw/zinc/91/90/41/852919041.db2.gz XTYFYOWXVWLJLV-SFHVURJKSA-N 2 2 389.519 3.567 20 0 GHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000507513440 852991940 /nfs/dbraw/zinc/99/19/40/852991940.db2.gz RNDMHBDMQUQGNY-MYGLTJDJSA-N 3 2 392.591 3.996 20 0 GHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000507513440 852991946 /nfs/dbraw/zinc/99/19/46/852991946.db2.gz RNDMHBDMQUQGNY-MYGLTJDJSA-N 3 2 392.591 3.996 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]CC3=Cc4ccccc4OC3)CC2)cc1 ZINC000518272817 853147402 /nfs/dbraw/zinc/14/74/02/853147402.db2.gz VAKQOXUHPQTUGD-UHFFFAOYSA-N 2 2 391.559 3.650 20 0 GHADLP CC[C@H]([NH3+])C[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000414981718 853298801 /nfs/dbraw/zinc/29/88/01/853298801.db2.gz RDRXKVWMSMHJBP-INIZCTEOSA-N 2 2 393.325 3.864 20 0 GHADLP CC(C)[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000517140633 853427161 /nfs/dbraw/zinc/42/71/61/853427161.db2.gz URAPCEUVAMVHDS-FQEVSTJZSA-N 2 2 394.991 3.705 20 0 GHADLP CC(C)[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000517140633 853427167 /nfs/dbraw/zinc/42/71/67/853427167.db2.gz URAPCEUVAMVHDS-FQEVSTJZSA-N 2 2 394.991 3.705 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000491060510 853432556 /nfs/dbraw/zinc/43/25/56/853432556.db2.gz OGQMZOSDQNHLPB-CTNGQTDRSA-N 2 2 385.939 3.606 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000491060510 853432561 /nfs/dbraw/zinc/43/25/61/853432561.db2.gz OGQMZOSDQNHLPB-CTNGQTDRSA-N 2 2 385.939 3.606 20 0 GHADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000623853326 862470584 /nfs/dbraw/zinc/47/05/84/862470584.db2.gz UJACJCHKMTYPGD-KRWDZBQOSA-N 2 2 387.549 3.622 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000517248372 853567289 /nfs/dbraw/zinc/56/72/89/853567289.db2.gz KGUIIQZBKUIPDK-HXUWFJFHSA-N 2 2 387.474 3.794 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000517248372 853567294 /nfs/dbraw/zinc/56/72/94/853567294.db2.gz KGUIIQZBKUIPDK-HXUWFJFHSA-N 2 2 387.474 3.794 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)CCOCC1)c1ccccc1 ZINC000571015186 853716300 /nfs/dbraw/zinc/71/63/00/853716300.db2.gz LLNJUKJPSOYXRN-ILWGZMRPSA-N 2 2 396.579 3.936 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000571802653 854160499 /nfs/dbraw/zinc/16/04/99/854160499.db2.gz LGWGYPWOSJBNEQ-SFHVURJKSA-N 2 2 397.588 3.809 20 0 GHADLP COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441391181 854173350 /nfs/dbraw/zinc/17/33/50/854173350.db2.gz ZPVXETMGEKWGRU-RXVVDRJESA-N 2 2 392.503 3.867 20 0 GHADLP O=C([C@H](c1ccccc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCCCC1 ZINC000441397695 854180015 /nfs/dbraw/zinc/18/00/15/854180015.db2.gz FPTHFPRCLXSYCI-PMVMPFDFSA-N 2 2 381.564 3.689 20 0 GHADLP O=C([C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCCCC1 ZINC000441397695 854180019 /nfs/dbraw/zinc/18/00/19/854180019.db2.gz FPTHFPRCLXSYCI-PMVMPFDFSA-N 2 2 381.564 3.689 20 0 GHADLP O=C([C@H](c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCCCC1 ZINC000441397695 854180022 /nfs/dbraw/zinc/18/00/22/854180022.db2.gz FPTHFPRCLXSYCI-PMVMPFDFSA-N 2 2 381.564 3.689 20 0 GHADLP O=C([C@H](c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCCCC1 ZINC000441397695 854180025 /nfs/dbraw/zinc/18/00/25/854180025.db2.gz FPTHFPRCLXSYCI-PMVMPFDFSA-N 2 2 381.564 3.689 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCc3ccc(-c4ccccc4)o3)CC2)CC1 ZINC000050800123 854359496 /nfs/dbraw/zinc/35/94/96/854359496.db2.gz WNBJQIUWLNKKPM-UHFFFAOYSA-N 2 2 395.547 3.554 20 0 GHADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3csc(-c4ccco4)n3)CC2)C[C@H](C)O1 ZINC000588709394 854368551 /nfs/dbraw/zinc/36/85/51/854368551.db2.gz ARBYRUWRYTXCMB-HOTGVXAUSA-N 2 2 375.538 3.724 20 0 GHADLP COc1cc2cc[nH+]c(N3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)c2cc1F ZINC000572276220 854470288 /nfs/dbraw/zinc/47/02/88/854470288.db2.gz DKPIGIFHXCJQKB-HZPDHXFCSA-N 2 2 387.499 3.708 20 0 GHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C[C@@H]1C ZINC000458893544 854475450 /nfs/dbraw/zinc/47/54/50/854475450.db2.gz XTBMOHFNZRPYQV-HOTGVXAUSA-N 2 2 389.931 3.540 20 0 GHADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C[C@@H]1C ZINC000458893544 854475457 /nfs/dbraw/zinc/47/54/57/854475457.db2.gz XTBMOHFNZRPYQV-HOTGVXAUSA-N 2 2 389.931 3.540 20 0 GHADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000765791553 854820239 /nfs/dbraw/zinc/82/02/39/854820239.db2.gz MUBWYLBMKBYSKW-WWNPGLIZSA-N 2 2 384.495 3.571 20 0 GHADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000765791553 854820245 /nfs/dbraw/zinc/82/02/45/854820245.db2.gz MUBWYLBMKBYSKW-WWNPGLIZSA-N 2 2 384.495 3.571 20 0 GHADLP CN(C(=O)C1CC(C(C)(C)C)C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001128011834 854823967 /nfs/dbraw/zinc/82/39/67/854823967.db2.gz SXHLZENHMLXYDX-RQWVFBBXSA-N 2 2 377.617 3.854 20 0 GHADLP CN(C(=O)C1CC(C(C)(C)C)C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001128011834 854823970 /nfs/dbraw/zinc/82/39/70/854823970.db2.gz SXHLZENHMLXYDX-RQWVFBBXSA-N 2 2 377.617 3.854 20 0 GHADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000624054063 862617324 /nfs/dbraw/zinc/61/73/24/862617324.db2.gz WOVYHBLWRLZRMH-OAHLLOKOSA-N 2 2 380.458 3.624 20 0 GHADLP COc1ccc2c(c1F)CC[C@@H]2Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000572639684 854913082 /nfs/dbraw/zinc/91/30/82/854913082.db2.gz RZMDNIHJTMGZLZ-IBGZPJMESA-N 2 2 384.499 3.859 20 0 GHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(-c4ccccc4)o3)cc2)CC1 ZINC000589835123 855157157 /nfs/dbraw/zinc/15/71/57/855157157.db2.gz VNXFRBCGXFTRNJ-UHFFFAOYSA-N 2 2 389.499 3.624 20 0 GHADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)nc[nH+]1 ZINC000474719883 855796398 /nfs/dbraw/zinc/79/63/98/855796398.db2.gz NHHAAXBHOGAJCY-SLTXQBBLSA-N 2 2 385.478 3.834 20 0 GHADLP C[C@@H](CCCc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000181088769 862746744 /nfs/dbraw/zinc/74/67/44/862746744.db2.gz TXIKTDBHYDWQSS-NRFANRHFSA-N 2 2 385.596 3.712 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1cccc(OC)c1 ZINC000303645191 856119275 /nfs/dbraw/zinc/11/92/75/856119275.db2.gz CHCWWYWTCYSYDA-QFIPXVFZSA-N 2 2 392.503 3.694 20 0 GHADLP CCOc1c(OC)cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1OC ZINC000895112042 856150886 /nfs/dbraw/zinc/15/08/86/856150886.db2.gz SYEDSKPZTJCYFV-IYARVYRRSA-N 2 2 385.508 3.774 20 0 GHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 ZINC000573476292 856249277 /nfs/dbraw/zinc/24/92/77/856249277.db2.gz SBVFKOQDCHDXPO-SQNIBIBYSA-N 2 2 376.287 3.833 20 0 GHADLP c1ccc([C@@H]2C[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CCCO2)cc1 ZINC000671680536 856352657 /nfs/dbraw/zinc/35/26/57/856352657.db2.gz KZLCOXVTXCFUSJ-DEOSSOPVSA-N 2 2 379.548 3.662 20 0 GHADLP c1ccc([C@@H]2C[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CCCO2)cc1 ZINC000671680536 856352665 /nfs/dbraw/zinc/35/26/65/856352665.db2.gz KZLCOXVTXCFUSJ-DEOSSOPVSA-N 2 2 379.548 3.662 20 0 GHADLP Cn1nccc1-c1ccccc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000507872995 856611604 /nfs/dbraw/zinc/61/16/04/856611604.db2.gz HYYVHIRCRHTXBH-UHFFFAOYSA-N 2 2 389.547 3.621 20 0 GHADLP Cn1nccc1-c1ccccc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000507872995 856611610 /nfs/dbraw/zinc/61/16/10/856611610.db2.gz HYYVHIRCRHTXBH-UHFFFAOYSA-N 2 2 389.547 3.621 20 0 GHADLP CC(C)c1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000044850200 856679516 /nfs/dbraw/zinc/67/95/16/856679516.db2.gz IHMWJAWZPWUWPM-IBGZPJMESA-N 2 2 380.536 3.595 20 0 GHADLP Cc1cc(C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)n1Cc1cccs1 ZINC000674752040 856765742 /nfs/dbraw/zinc/76/57/42/856765742.db2.gz YQONESRQXMJHEG-SFHVURJKSA-N 2 2 382.533 3.931 20 0 GHADLP Cc1cc(C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)n1Cc1cccs1 ZINC000674752040 856765743 /nfs/dbraw/zinc/76/57/43/856765743.db2.gz YQONESRQXMJHEG-SFHVURJKSA-N 2 2 382.533 3.931 20 0 GHADLP COc1ccc(C[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccc(OC)cc2)cc1 ZINC000427863468 856821708 /nfs/dbraw/zinc/82/17/08/856821708.db2.gz BKYAFKFNBWUZEP-UGKGYDQZSA-N 2 2 377.488 3.789 20 0 GHADLP Cc1ccc([C@H]([NH2+]CC2([NH3+])CCCC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000665247926 856828935 /nfs/dbraw/zinc/82/89/35/856828935.db2.gz LWKCPDIGHRQLFM-OAQYLSRUSA-N 2 2 386.561 3.657 20 0 GHADLP CCC[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CCCCC1 ZINC000465943842 857165406 /nfs/dbraw/zinc/16/54/06/857165406.db2.gz WBKUEGAIOYZUCL-OAQYLSRUSA-N 2 2 392.632 3.985 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1F ZINC000665258896 857190630 /nfs/dbraw/zinc/19/06/30/857190630.db2.gz OKVGLUALLNHQJF-IBZMOEQTSA-N 2 2 397.494 3.515 20 0 GHADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000444799989 857237556 /nfs/dbraw/zinc/23/75/56/857237556.db2.gz IPAFDEVXDNSDRE-DYESRHJHSA-N 2 2 376.504 3.630 20 0 GHADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000444799989 857237569 /nfs/dbraw/zinc/23/75/69/857237569.db2.gz IPAFDEVXDNSDRE-DYESRHJHSA-N 2 2 376.504 3.630 20 0 GHADLP COc1ccc([C@@H]2C[C@@H]([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CCO2)cc1 ZINC001168582401 857241325 /nfs/dbraw/zinc/24/13/25/857241325.db2.gz DRMADNPBZJYAPP-UPVQGACJSA-N 2 2 396.531 3.537 20 0 GHADLP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658296892 857279114 /nfs/dbraw/zinc/27/91/14/857279114.db2.gz WOAWIAHDHSSBEU-VQTJNVASSA-N 2 2 395.385 3.859 20 0 GHADLP CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000671721235 857495325 /nfs/dbraw/zinc/49/53/25/857495325.db2.gz WAJUZIDEUIKCTJ-CKYXRZNPSA-N 2 2 389.628 3.904 20 0 GHADLP CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000671721235 857495328 /nfs/dbraw/zinc/49/53/28/857495328.db2.gz WAJUZIDEUIKCTJ-CKYXRZNPSA-N 2 2 389.628 3.904 20 0 GHADLP C[N@@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000428245344 857554022 /nfs/dbraw/zinc/55/40/22/857554022.db2.gz WRMNUARYOKXTQB-QGZVFWFLSA-N 2 2 380.458 3.724 20 0 GHADLP C[N@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000428245344 857554031 /nfs/dbraw/zinc/55/40/31/857554031.db2.gz WRMNUARYOKXTQB-QGZVFWFLSA-N 2 2 380.458 3.724 20 0 GHADLP C[NH+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000428245344 857554043 /nfs/dbraw/zinc/55/40/43/857554043.db2.gz WRMNUARYOKXTQB-QGZVFWFLSA-N 2 2 380.458 3.724 20 0 GHADLP C[NH+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000428245344 857554054 /nfs/dbraw/zinc/55/40/54/857554054.db2.gz WRMNUARYOKXTQB-QGZVFWFLSA-N 2 2 380.458 3.724 20 0 GHADLP CCC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000675886096 857661081 /nfs/dbraw/zinc/66/10/81/857661081.db2.gz NFPXBQGVRUWXBQ-UXHICEINSA-N 2 2 399.501 3.543 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cn3ccsc3n2)CC1 ZINC000181643342 862953316 /nfs/dbraw/zinc/95/33/16/862953316.db2.gz NFKYLFJLWGGWNB-OAHLLOKOSA-N 2 2 387.528 3.528 20 0 GHADLP CCC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668639751 857878513 /nfs/dbraw/zinc/87/85/13/857878513.db2.gz LJCFCXRRLDDJGM-UYAOXDASSA-N 2 2 377.960 3.508 20 0 GHADLP CCC[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668639751 857878519 /nfs/dbraw/zinc/87/85/19/857878519.db2.gz LJCFCXRRLDDJGM-UYAOXDASSA-N 2 2 377.960 3.508 20 0 GHADLP CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668639750 857878669 /nfs/dbraw/zinc/87/86/69/857878669.db2.gz LJCFCXRRLDDJGM-QUCCMNQESA-N 2 2 377.960 3.508 20 0 GHADLP CCC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668639750 857878671 /nfs/dbraw/zinc/87/86/71/857878671.db2.gz LJCFCXRRLDDJGM-QUCCMNQESA-N 2 2 377.960 3.508 20 0 GHADLP C[C@H]1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000442606435 857994272 /nfs/dbraw/zinc/99/42/72/857994272.db2.gz FPLKIUULFPERDB-PMACEKPBSA-N 2 2 387.572 3.522 20 0 GHADLP C[N@H+](Cc1cc(Cl)cc2c1OCC2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000543083129 858244076 /nfs/dbraw/zinc/24/40/76/858244076.db2.gz KUIILHAIICTVAD-UHFFFAOYSA-N 2 2 385.939 3.809 20 0 GHADLP C[N@@H+](Cc1cc(Cl)cc2c1OCC2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000543083129 858244080 /nfs/dbraw/zinc/24/40/80/858244080.db2.gz KUIILHAIICTVAD-UHFFFAOYSA-N 2 2 385.939 3.809 20 0 GHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cc(Cl)ccc3F)CC2)C[C@H](C)O1 ZINC000682532597 858338003 /nfs/dbraw/zinc/33/80/03/858338003.db2.gz RFIGAVLFFJUDSZ-HOTGVXAUSA-N 2 2 384.923 3.569 20 0 GHADLP C[N@H+](Cc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccc(F)cc1)C1CCCCC1 ZINC000066939998 858366438 /nfs/dbraw/zinc/36/64/38/858366438.db2.gz NSIYAKWCHAFBFR-JOCHJYFZSA-N 2 2 383.511 3.906 20 0 GHADLP C[N@@H+](Cc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccc(F)cc1)C1CCCCC1 ZINC000066939998 858366443 /nfs/dbraw/zinc/36/64/43/858366443.db2.gz NSIYAKWCHAFBFR-JOCHJYFZSA-N 2 2 383.511 3.906 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2cccc(C(F)(F)F)c2)([NH+]2CCCCC2)CC1 ZINC000466141356 858457934 /nfs/dbraw/zinc/45/79/34/858457934.db2.gz NSCQNQNWEMDDCO-UHFFFAOYSA-N 2 2 398.473 3.777 20 0 GHADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000595825563 858700455 /nfs/dbraw/zinc/70/04/55/858700455.db2.gz FHGVRXKQUBBVCJ-GOSISDBHSA-N 2 2 376.545 3.503 20 0 GHADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000595825563 858700456 /nfs/dbraw/zinc/70/04/56/858700456.db2.gz FHGVRXKQUBBVCJ-GOSISDBHSA-N 2 2 376.545 3.503 20 0 GHADLP Cc1cccc(COc2ccc([C@H](C)[NH2+]CCC[N@@H+]3CCC[C@@H]3C(N)=O)cc2)c1 ZINC000482643642 858718371 /nfs/dbraw/zinc/71/83/71/858718371.db2.gz PZJZXZMPEYKECB-WMZHIEFXSA-N 2 2 395.547 3.564 20 0 GHADLP Cc1cccc(COc2ccc([C@H](C)[NH2+]CCC[N@H+]3CCC[C@@H]3C(N)=O)cc2)c1 ZINC000482643642 858718375 /nfs/dbraw/zinc/71/83/75/858718375.db2.gz PZJZXZMPEYKECB-WMZHIEFXSA-N 2 2 395.547 3.564 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)CC2)c1 ZINC000474074995 858787624 /nfs/dbraw/zinc/78/76/24/858787624.db2.gz TVNFWBPSCLBCAF-QPTUXGOLSA-N 2 2 385.596 3.692 20 0 GHADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000596112133 858797530 /nfs/dbraw/zinc/79/75/30/858797530.db2.gz XDCHXYRVOVRTSS-LJQANCHMSA-N 2 2 398.378 3.948 20 0 GHADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000596112133 858797541 /nfs/dbraw/zinc/79/75/41/858797541.db2.gz XDCHXYRVOVRTSS-LJQANCHMSA-N 2 2 398.378 3.948 20 0 GHADLP COC(=O)C1(C)CCC([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)CC1 ZINC001168762244 858955316 /nfs/dbraw/zinc/95/53/16/858955316.db2.gz OPXQJLSIQNVDAJ-UHFFFAOYSA-N 2 2 376.516 3.810 20 0 GHADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000116396035 858958667 /nfs/dbraw/zinc/95/86/67/858958667.db2.gz UCLIOKJQQJQSBD-FZMZJTMJSA-N 2 2 375.344 3.671 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543238126 858990098 /nfs/dbraw/zinc/99/00/98/858990098.db2.gz FCRMMJQXODCNTF-RXVVDRJESA-N 3 2 375.520 3.576 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543238126 858990103 /nfs/dbraw/zinc/99/01/03/858990103.db2.gz FCRMMJQXODCNTF-RXVVDRJESA-N 3 2 375.520 3.576 20 0 GHADLP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C3CC3)[C@H]2c2ccnn2C)c(C2CCCC2)n1 ZINC000922217074 859028971 /nfs/dbraw/zinc/02/89/71/859028971.db2.gz LGYIBJVKKBDTIP-FDDCHVKYSA-N 2 2 396.583 3.517 20 0 GHADLP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)c(C2CCCC2)n1 ZINC000922217074 859028976 /nfs/dbraw/zinc/02/89/76/859028976.db2.gz LGYIBJVKKBDTIP-FDDCHVKYSA-N 2 2 396.583 3.517 20 0 GHADLP C[C@@H](CCNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)[NH+]1CCCCC1 ZINC000543285206 859133681 /nfs/dbraw/zinc/13/36/81/859133681.db2.gz UIRGWKGVWAITDP-IRXDYDNUSA-N 2 2 393.601 3.761 20 0 GHADLP C[C@@H](CCNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)[NH+]1CCCCC1 ZINC000543285206 859133684 /nfs/dbraw/zinc/13/36/84/859133684.db2.gz UIRGWKGVWAITDP-IRXDYDNUSA-N 2 2 393.601 3.761 20 0 GHADLP O=C1CCCN1C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000162270505 859167858 /nfs/dbraw/zinc/16/78/58/859167858.db2.gz KWNNUYKKGGGZCV-IBGZPJMESA-N 2 2 397.485 3.835 20 0 GHADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483249558 859241080 /nfs/dbraw/zinc/24/10/80/859241080.db2.gz JJBQUPFJVWEYMI-IUODEOHRSA-N 2 2 395.263 3.575 20 0 GHADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483249558 859241088 /nfs/dbraw/zinc/24/10/88/859241088.db2.gz JJBQUPFJVWEYMI-IUODEOHRSA-N 2 2 395.263 3.575 20 0 GHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000113602920 859243978 /nfs/dbraw/zinc/24/39/78/859243978.db2.gz BHDFRQRUXKCMMO-SFHVURJKSA-N 2 2 391.519 3.801 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CCC(Cc4nc(C5CCC5)no4)CC3)cc2)c[nH+]1 ZINC000625997653 859307109 /nfs/dbraw/zinc/30/71/09/859307109.db2.gz KXARBLCMDRLUML-UHFFFAOYSA-N 2 2 377.492 3.978 20 0 GHADLP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429427576 859349956 /nfs/dbraw/zinc/34/99/56/859349956.db2.gz PDHOKPBQBHTACE-IRLDBZIGSA-N 2 2 384.495 3.920 20 0 GHADLP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429427576 859349966 /nfs/dbraw/zinc/34/99/66/859349966.db2.gz PDHOKPBQBHTACE-IRLDBZIGSA-N 2 2 384.495 3.920 20 0 GHADLP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000483418312 859351544 /nfs/dbraw/zinc/35/15/44/859351544.db2.gz IUQOINRWQNRUMN-FCHUYYIVSA-N 2 2 378.564 3.985 20 0 GHADLP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000483418312 859351556 /nfs/dbraw/zinc/35/15/56/859351556.db2.gz IUQOINRWQNRUMN-FCHUYYIVSA-N 2 2 378.564 3.985 20 0 GHADLP O=C(NC1CC1)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000069162579 859371667 /nfs/dbraw/zinc/37/16/67/859371667.db2.gz ISQLXBJGJMOERA-QFIPXVFZSA-N 2 2 381.495 3.531 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](CC(C)(C)C)c3ccc(F)cc3)CC[C@H]21 ZINC000483501405 859413695 /nfs/dbraw/zinc/41/36/95/859413695.db2.gz IWGSZLOWDUVOQO-HLAWJBBLSA-N 2 2 389.559 3.835 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](CC(C)(C)C)c3ccc(F)cc3)CC[C@H]21 ZINC000483501405 859413703 /nfs/dbraw/zinc/41/37/03/859413703.db2.gz IWGSZLOWDUVOQO-HLAWJBBLSA-N 2 2 389.559 3.835 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](CC(C)(C)C)c3ccc(F)cc3)CC[C@H]21 ZINC000483501405 859413710 /nfs/dbraw/zinc/41/37/10/859413710.db2.gz IWGSZLOWDUVOQO-HLAWJBBLSA-N 2 2 389.559 3.835 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](CC(C)(C)C)c3ccc(F)cc3)CC[C@H]21 ZINC000483501405 859413717 /nfs/dbraw/zinc/41/37/17/859413717.db2.gz IWGSZLOWDUVOQO-HLAWJBBLSA-N 2 2 389.559 3.835 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[NH+](C)C)cc1 ZINC000078349387 859514119 /nfs/dbraw/zinc/51/41/19/859514119.db2.gz RBUJDFBMHJFNAV-JOCHJYFZSA-N 2 2 376.504 3.527 20 0 GHADLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000484130070 859819928 /nfs/dbraw/zinc/81/99/28/859819928.db2.gz PGFRQNWTEFCUMD-KNQAVFIVSA-N 2 2 390.474 3.966 20 0 GHADLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000484130070 859819934 /nfs/dbraw/zinc/81/99/34/859819934.db2.gz PGFRQNWTEFCUMD-KNQAVFIVSA-N 2 2 390.474 3.966 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OC)c(OC)c1 ZINC000484149664 859838263 /nfs/dbraw/zinc/83/82/63/859838263.db2.gz WLRBXCPNQFVYAL-FDFHNCONSA-N 2 2 398.547 3.628 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OC)c(OC)c1 ZINC000484149664 859838270 /nfs/dbraw/zinc/83/82/70/859838270.db2.gz WLRBXCPNQFVYAL-FDFHNCONSA-N 2 2 398.547 3.628 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1OC(F)F ZINC000484130701 859840127 /nfs/dbraw/zinc/84/01/27/859840127.db2.gz MMEHKMYOYKBBOU-BTYIYWSLSA-N 2 2 394.437 3.715 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1OC(F)F ZINC000484130701 859840131 /nfs/dbraw/zinc/84/01/31/859840131.db2.gz MMEHKMYOYKBBOU-BTYIYWSLSA-N 2 2 394.437 3.715 20 0 GHADLP Cc1ccc(-c2ccsc2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000602199293 859862611 /nfs/dbraw/zinc/86/26/11/859862611.db2.gz HRDOYZVLDPGRCA-GOSISDBHSA-N 2 2 383.561 3.622 20 0 GHADLP Cc1ccc(-c2ccsc2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000602199293 859862616 /nfs/dbraw/zinc/86/26/16/859862616.db2.gz HRDOYZVLDPGRCA-GOSISDBHSA-N 2 2 383.561 3.622 20 0 GHADLP CC(C)C[C@H](C[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)[NH+](C)C ZINC000921521244 860005177 /nfs/dbraw/zinc/00/51/77/860005177.db2.gz WZUNKWGAVZIDOF-RTBURBONSA-N 2 2 397.604 3.501 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000508919680 860020088 /nfs/dbraw/zinc/02/00/88/860020088.db2.gz KEHGGXSUCSDMJB-SIKLNZKXSA-N 2 2 399.583 3.867 20 0 GHADLP Cc1cc(C)c(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC001127906755 860239514 /nfs/dbraw/zinc/23/95/14/860239514.db2.gz VHRRKTXYUROREL-RPWUZVMVSA-N 2 2 399.623 3.950 20 0 GHADLP Cc1cc(C)c(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC001127906755 860239523 /nfs/dbraw/zinc/23/95/23/860239523.db2.gz VHRRKTXYUROREL-RPWUZVMVSA-N 2 2 399.623 3.950 20 0 GHADLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000191837389 860373969 /nfs/dbraw/zinc/37/39/69/860373969.db2.gz QVGNRQCNBXCAAX-MOPGFXCFSA-N 2 2 385.577 3.964 20 0 GHADLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000191837389 860373971 /nfs/dbraw/zinc/37/39/71/860373971.db2.gz QVGNRQCNBXCAAX-MOPGFXCFSA-N 2 2 385.577 3.964 20 0 GHADLP C[C@@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@@H]1CCC[NH3+] ZINC000904394299 860391045 /nfs/dbraw/zinc/39/10/45/860391045.db2.gz RPLVYXACDVZKJE-DYESRHJHSA-N 2 2 393.535 3.973 20 0 GHADLP C[NH+](C)C1CC[NH+](CCNc2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000484828965 860394148 /nfs/dbraw/zinc/39/41/48/860394148.db2.gz LHOKGDRRQFUFGV-UHFFFAOYSA-N 2 2 381.549 3.796 20 0 GHADLP C[C@H]1C[C@@H](c2ccccc2)N(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000498416191 860413373 /nfs/dbraw/zinc/41/33/73/860413373.db2.gz XLYRHUPKGNBMMB-UNMCSNQZSA-N 2 2 398.595 3.729 20 0 GHADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1ccccc1-n1cc[nH+]c1)[NH+](C)C ZINC000484891510 860457240 /nfs/dbraw/zinc/45/72/40/860457240.db2.gz QNQWZXUQHALLFM-PGRDOPGGSA-N 2 2 391.519 3.671 20 0 GHADLP Oc1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1Br ZINC000904471225 860463424 /nfs/dbraw/zinc/46/34/24/860463424.db2.gz FRBPEZFCDSHZGP-DNVCBOLYSA-N 2 2 389.293 3.500 20 0 GHADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000474610940 860491451 /nfs/dbraw/zinc/49/14/51/860491451.db2.gz HWZQNNXQRJVTIH-PMACEKPBSA-N 2 2 398.547 3.688 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cs1)c1ccc(F)cc1 ZINC000172116659 860503741 /nfs/dbraw/zinc/50/37/41/860503741.db2.gz RWBMHWXQVXISCH-CQSZACIVSA-N 2 2 387.484 3.589 20 0 GHADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000474626175 860533192 /nfs/dbraw/zinc/53/31/92/860533192.db2.gz CWPATKBVMXBRQK-OALUTQOASA-N 2 2 398.547 3.818 20 0 GHADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168557239 860618196 /nfs/dbraw/zinc/61/81/96/860618196.db2.gz DUPNAKOWEQOPTO-JKSUJKDBSA-N 2 2 393.494 3.733 20 0 GHADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168557239 860618199 /nfs/dbraw/zinc/61/81/99/860618199.db2.gz DUPNAKOWEQOPTO-JKSUJKDBSA-N 2 2 393.494 3.733 20 0 GHADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247790066 860757477 /nfs/dbraw/zinc/75/74/77/860757477.db2.gz YZSYVUIAFYSIGS-CKEIUWERSA-N 2 2 396.413 3.692 20 0 GHADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247790066 860757481 /nfs/dbraw/zinc/75/74/81/860757481.db2.gz YZSYVUIAFYSIGS-CKEIUWERSA-N 2 2 396.413 3.692 20 0 GHADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001170409471 881577509 /nfs/dbraw/zinc/57/75/09/881577509.db2.gz CMNWADBBVAKZOD-FQEVSTJZSA-N 2 2 396.531 3.999 20 0 GHADLP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000120492677 881604125 /nfs/dbraw/zinc/60/41/25/881604125.db2.gz CJJQNGKPZQYTAD-RTWAWAEBSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000120492677 881604134 /nfs/dbraw/zinc/60/41/34/881604134.db2.gz CJJQNGKPZQYTAD-RTWAWAEBSA-N 2 2 390.547 3.935 20 0 GHADLP C[NH+](C)[C@H](C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000599323340 861061979 /nfs/dbraw/zinc/06/19/79/861061979.db2.gz IHIDUOBBVDESCC-NRFANRHFSA-N 2 2 399.966 3.896 20 0 GHADLP C[NH+](C)[C@H](C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000599323340 861061989 /nfs/dbraw/zinc/06/19/89/861061989.db2.gz IHIDUOBBVDESCC-NRFANRHFSA-N 2 2 399.966 3.896 20 0 GHADLP CC[N@H+](CCCCC(=O)OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000599332419 861073109 /nfs/dbraw/zinc/07/31/09/861073109.db2.gz RRMZEGOUOYPSIL-UHFFFAOYSA-N 2 2 376.545 3.542 20 0 GHADLP CC[N@@H+](CCCCC(=O)OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000599332419 861073125 /nfs/dbraw/zinc/07/31/25/861073125.db2.gz RRMZEGOUOYPSIL-UHFFFAOYSA-N 2 2 376.545 3.542 20 0 GHADLP COc1cc(Br)ccc1CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000181970254 863068070 /nfs/dbraw/zinc/06/80/70/863068070.db2.gz GHVJDSDJZFUQDR-UHFFFAOYSA-N 2 2 378.314 3.924 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254478 863154838 /nfs/dbraw/zinc/15/48/38/863154838.db2.gz QSYBJNADKRHWOR-AWEZNQCLSA-N 2 2 375.879 3.655 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000482628509 863402336 /nfs/dbraw/zinc/40/23/36/863402336.db2.gz KDNLTCDKZZBEMR-SFTDATJTSA-N 2 2 385.939 3.553 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000482628509 863402343 /nfs/dbraw/zinc/40/23/43/863402343.db2.gz KDNLTCDKZZBEMR-SFTDATJTSA-N 2 2 385.939 3.553 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000482633933 863407592 /nfs/dbraw/zinc/40/75/92/863407592.db2.gz YEMOYAXSJLFAHV-WMLDXEAASA-N 2 2 393.325 3.815 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000606569005 863711667 /nfs/dbraw/zinc/71/16/67/863711667.db2.gz PEFZTEYLGDDYHY-UHFFFAOYSA-N 2 2 395.507 3.685 20 0 GHADLP Cc1cn2cc(NC(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3F)ccc2[nH+]1 ZINC000606569851 863713297 /nfs/dbraw/zinc/71/32/97/863713297.db2.gz BTGREJMDWCXDMD-UHFFFAOYSA-N 2 2 387.434 3.517 20 0 GHADLP CCc1cnc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000120742148 881702602 /nfs/dbraw/zinc/70/26/02/881702602.db2.gz SEAUNRJLRLOQDP-QZTJIDSGSA-N 2 2 393.601 3.506 20 0 GHADLP CCc1cnc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000120742148 881702616 /nfs/dbraw/zinc/70/26/16/881702616.db2.gz SEAUNRJLRLOQDP-QZTJIDSGSA-N 2 2 393.601 3.506 20 0 GHADLP c1cc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667599944 863861849 /nfs/dbraw/zinc/86/18/49/863861849.db2.gz GAFLXBQLEJOAPB-UHFFFAOYSA-N 2 2 386.459 3.697 20 0 GHADLP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]3CCC(C)CC3)cs2)cs1 ZINC000158925744 863990848 /nfs/dbraw/zinc/99/08/48/863990848.db2.gz YHGHXNITLKMFGR-PBHICJAKSA-N 2 2 379.595 3.923 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000159001642 864007531 /nfs/dbraw/zinc/00/75/31/864007531.db2.gz RWCPJJLNORSFPG-MRXNPFEDSA-N 2 2 379.495 3.880 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000159001642 864007553 /nfs/dbraw/zinc/00/75/53/864007553.db2.gz RWCPJJLNORSFPG-MRXNPFEDSA-N 2 2 379.495 3.880 20 0 GHADLP Brc1ccc(-c2ncc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)s2)cc1 ZINC000494439817 881723094 /nfs/dbraw/zinc/72/30/94/881723094.db2.gz VRHHNBDDBJPWTP-CQSZACIVSA-N 2 2 389.322 3.874 20 0 GHADLP Cc1ccc(N2CCC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000792861342 881732188 /nfs/dbraw/zinc/73/21/88/881732188.db2.gz BPVNLWOLRAFRNK-VWLOTQADSA-N 2 2 393.575 3.798 20 0 GHADLP Cc1ccc(N2CCC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000792861342 881732200 /nfs/dbraw/zinc/73/22/00/881732200.db2.gz BPVNLWOLRAFRNK-VWLOTQADSA-N 2 2 393.575 3.798 20 0 GHADLP Cc1ccc(N2CCC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000792861342 881732201 /nfs/dbraw/zinc/73/22/01/881732201.db2.gz BPVNLWOLRAFRNK-VWLOTQADSA-N 2 2 393.575 3.798 20 0 GHADLP Cc1ccc(N2CCC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000792861342 881732210 /nfs/dbraw/zinc/73/22/10/881732210.db2.gz BPVNLWOLRAFRNK-VWLOTQADSA-N 2 2 393.575 3.798 20 0 GHADLP CCO[C@@H]1C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)[C@@H]1Oc1ccccc1 ZINC000480243237 864307302 /nfs/dbraw/zinc/30/73/02/864307302.db2.gz SAHARGMXSUMJGF-ZDXQCDESSA-N 2 2 391.515 3.689 20 0 GHADLP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000289676442 864517609 /nfs/dbraw/zinc/51/76/09/864517609.db2.gz JIJXMHHBYUBREA-QGZVFWFLSA-N 2 2 376.545 3.724 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)nnn1-c1ccc(F)cc1 ZINC000163502352 864527004 /nfs/dbraw/zinc/52/70/04/864527004.db2.gz RXOPSQUSLZEWCI-MRXNPFEDSA-N 2 2 394.498 3.738 20 0 GHADLP COc1cc(C)c([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000163694896 864554208 /nfs/dbraw/zinc/55/42/08/864554208.db2.gz LFGNSKBTAMKXOO-SFHVURJKSA-N 2 2 384.520 3.695 20 0 GHADLP Cc1cc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cn2cc[nH+]c12 ZINC000554594179 864590447 /nfs/dbraw/zinc/59/04/47/864590447.db2.gz HGJSLURKENCWBU-CALCHBBNSA-N 2 2 378.476 3.504 20 0 GHADLP Cc1cc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cn2cc[nH+]c12 ZINC000554594179 864590455 /nfs/dbraw/zinc/59/04/55/864590455.db2.gz HGJSLURKENCWBU-CALCHBBNSA-N 2 2 378.476 3.504 20 0 GHADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000164856457 864639529 /nfs/dbraw/zinc/63/95/29/864639529.db2.gz SGPGVNYXCCIZSR-SFHVURJKSA-N 2 2 377.960 3.799 20 0 GHADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000164856457 864639532 /nfs/dbraw/zinc/63/95/32/864639532.db2.gz SGPGVNYXCCIZSR-SFHVURJKSA-N 2 2 377.960 3.799 20 0 GHADLP Cc1ccc([C@H](CN2CCOCC2)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000480456127 864663289 /nfs/dbraw/zinc/66/32/89/864663289.db2.gz XZNKIAPMWPLJQM-DEOSSOPVSA-N 2 2 385.596 3.755 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000554720661 864792147 /nfs/dbraw/zinc/79/21/47/864792147.db2.gz UGCVIOXCQULQOZ-DENIHFKCSA-N 2 2 388.515 3.757 20 0 GHADLP COc1cc(C)c(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1OC ZINC000475332952 864823161 /nfs/dbraw/zinc/82/31/61/864823161.db2.gz NENFJZRRRARGNX-UHFFFAOYSA-N 2 2 386.458 3.907 20 0 GHADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000480699768 865134744 /nfs/dbraw/zinc/13/47/44/865134744.db2.gz QNIINVRGYRKIQQ-IPJJNNNSSA-N 2 2 392.609 3.790 20 0 GHADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000480748687 865191594 /nfs/dbraw/zinc/19/15/94/865191594.db2.gz LTEMNWOUXTZRRC-BEFAXECRSA-N 2 2 391.357 3.534 20 0 GHADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000480748687 865191599 /nfs/dbraw/zinc/19/15/99/865191599.db2.gz LTEMNWOUXTZRRC-BEFAXECRSA-N 2 2 391.357 3.534 20 0 GHADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2sccc2Cl)CC1 ZINC000555054300 865430671 /nfs/dbraw/zinc/43/06/71/865430671.db2.gz GMILPWIHXNJQIF-UHFFFAOYSA-N 2 2 379.957 3.664 20 0 GHADLP Cc1ccc(-n2ccn(C[NH+]3CCC(OCC[NH+](C)C)CC3)c2=S)cc1C ZINC000738211182 865503482 /nfs/dbraw/zinc/50/34/82/865503482.db2.gz SITGGYDTFLENRY-UHFFFAOYSA-N 2 2 388.581 3.625 20 0 GHADLP C[NH+]1CCC(CNC(=O)N[C@H](CC2CC2)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000608714261 865619905 /nfs/dbraw/zinc/61/99/05/865619905.db2.gz MURWFMMKFADMCX-JOCHJYFZSA-N 2 2 398.595 3.777 20 0 GHADLP Cc1cc(C)c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000622944662 865817484 /nfs/dbraw/zinc/81/74/84/865817484.db2.gz ZTUOJVQGRPCMLO-UHFFFAOYSA-N 2 2 378.948 3.637 20 0 GHADLP CC[N@H+](Cn1cc(Cl)cn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000740856846 866043986 /nfs/dbraw/zinc/04/39/86/866043986.db2.gz WCMRGRPZQKNMGV-UHFFFAOYSA-N 2 2 376.936 3.707 20 0 GHADLP CC[N@@H+](Cn1cc(Cl)cn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000740856846 866044003 /nfs/dbraw/zinc/04/40/03/866044003.db2.gz WCMRGRPZQKNMGV-UHFFFAOYSA-N 2 2 376.936 3.707 20 0 GHADLP CC[NH+]1CCC(CCNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000153210130 866261792 /nfs/dbraw/zinc/26/17/92/866261792.db2.gz YINLDSJIWBBFHT-YADHBBJMSA-N 2 2 395.551 3.533 20 0 GHADLP C[N@H+](Cc1cccc(-c2ccncc2)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121218948 881974139 /nfs/dbraw/zinc/97/41/39/881974139.db2.gz ZSKFUZFJCVPQIY-UHFFFAOYSA-N 2 2 375.520 3.542 20 0 GHADLP C[N@@H+](Cc1cccc(-c2ccncc2)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121218948 881974148 /nfs/dbraw/zinc/97/41/48/881974148.db2.gz ZSKFUZFJCVPQIY-UHFFFAOYSA-N 2 2 375.520 3.542 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)N(C)CCCn2cc[nH+]c2)CCCC1)c1ccccc1 ZINC000152322874 866522960 /nfs/dbraw/zinc/52/29/60/866522960.db2.gz GRMZBBQGAPBAFT-LJQANCHMSA-N 2 2 383.540 3.578 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc3ccc(OC)cc3s2)[C@H](C)C1 ZINC000189997101 882064783 /nfs/dbraw/zinc/06/47/83/882064783.db2.gz QBLLVPCVBCUUPG-WBVHZDCISA-N 2 2 377.554 3.532 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc3ccc(OC)cc3s2)[C@H](C)C1 ZINC000189997101 882064801 /nfs/dbraw/zinc/06/48/01/882064801.db2.gz QBLLVPCVBCUUPG-WBVHZDCISA-N 2 2 377.554 3.532 20 0 GHADLP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155165415 867780724 /nfs/dbraw/zinc/78/07/24/867780724.db2.gz YQEYXLSSPLJHDU-IBGZPJMESA-N 2 2 384.520 3.565 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)C[C@H](C)O1 ZINC000194250938 882130966 /nfs/dbraw/zinc/13/09/66/882130966.db2.gz KBIQJUSRJTWVSX-OALUTQOASA-N 2 2 390.531 3.976 20 0 GHADLP CN(C(=O)c1cnc2ccccc2c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000457655643 868583555 /nfs/dbraw/zinc/58/35/55/868583555.db2.gz BSNHLTGFLDAAFL-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cnc2ccccc2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000457655643 868583560 /nfs/dbraw/zinc/58/35/60/868583560.db2.gz BSNHLTGFLDAAFL-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(OC4CCCCC4)c3)CC2)CC1 ZINC000157740846 868748808 /nfs/dbraw/zinc/74/88/08/868748808.db2.gz HQUCBBYXXXHFPZ-UHFFFAOYSA-N 2 2 399.579 3.687 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cccc(CO)c1 ZINC000535513487 868874991 /nfs/dbraw/zinc/87/49/91/868874991.db2.gz ICXDYCDJBHHPKW-SFHVURJKSA-N 2 2 387.955 3.695 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000445822815 869034757 /nfs/dbraw/zinc/03/47/57/869034757.db2.gz XCHJTUBWIJQTDM-CQSZACIVSA-N 2 2 396.304 3.655 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000445822815 869034767 /nfs/dbraw/zinc/03/47/67/869034767.db2.gz XCHJTUBWIJQTDM-CQSZACIVSA-N 2 2 396.304 3.655 20 0 GHADLP C[C@@H]1[C@H](C(F)(F)F)CC[NH+]1CC1(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)COC1 ZINC000470943402 869427788 /nfs/dbraw/zinc/42/77/88/869427788.db2.gz FSLWWZADZXABJX-KPWCQOOUSA-N 2 2 388.396 3.548 20 0 GHADLP C[C@@H]1[C@H](C(F)(F)F)CC[NH+]1CC1(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)COC1 ZINC000470943402 869427796 /nfs/dbraw/zinc/42/77/96/869427796.db2.gz FSLWWZADZXABJX-KPWCQOOUSA-N 2 2 388.396 3.548 20 0 GHADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC1(C[NH+]2CC[C@H](C(F)(F)F)[C@@H]2C)COC1 ZINC000470943402 869427802 /nfs/dbraw/zinc/42/78/02/869427802.db2.gz FSLWWZADZXABJX-KPWCQOOUSA-N 2 2 388.396 3.548 20 0 GHADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC1(C[NH+]2CC[C@H](C(F)(F)F)[C@@H]2C)COC1 ZINC000470943402 869427806 /nfs/dbraw/zinc/42/78/06/869427806.db2.gz FSLWWZADZXABJX-KPWCQOOUSA-N 2 2 388.396 3.548 20 0 GHADLP Cc1cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc2cccnc12 ZINC000428435007 869553793 /nfs/dbraw/zinc/55/37/93/869553793.db2.gz YGAJRUCREKUXDI-DEOSSOPVSA-N 2 2 375.516 3.612 20 0 GHADLP Cc1cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc2cccnc12 ZINC000428435007 869553797 /nfs/dbraw/zinc/55/37/97/869553797.db2.gz YGAJRUCREKUXDI-DEOSSOPVSA-N 2 2 375.516 3.612 20 0 GHADLP Cc1cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc2cccnc12 ZINC000428435007 869553806 /nfs/dbraw/zinc/55/38/06/869553806.db2.gz YGAJRUCREKUXDI-DEOSSOPVSA-N 2 2 375.516 3.612 20 0 GHADLP Cc1cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc2cccnc12 ZINC000428435007 869553813 /nfs/dbraw/zinc/55/38/13/869553813.db2.gz YGAJRUCREKUXDI-DEOSSOPVSA-N 2 2 375.516 3.612 20 0 GHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(-n2cccn2)cc1 ZINC000539692276 869616677 /nfs/dbraw/zinc/61/66/77/869616677.db2.gz ZXNAHBPRGUIUMT-GOSISDBHSA-N 2 2 390.535 3.971 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000745984526 869927104 /nfs/dbraw/zinc/92/71/04/869927104.db2.gz NQQBNXSPSZUIKT-KRWDZBQOSA-N 2 2 381.524 3.607 20 0 GHADLP Cc1cc(C)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C=O ZINC000793725438 882377645 /nfs/dbraw/zinc/37/76/45/882377645.db2.gz GQRWYOMWKFSDNB-PKTZIBPZSA-N 2 2 399.579 3.525 20 0 GHADLP Cc1cc(C)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C=O ZINC000793725438 882377655 /nfs/dbraw/zinc/37/76/55/882377655.db2.gz GQRWYOMWKFSDNB-PKTZIBPZSA-N 2 2 399.579 3.525 20 0 GHADLP CNC(=O)c1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000248005341 870260484 /nfs/dbraw/zinc/26/04/84/870260484.db2.gz KTPONHIVKGSGMF-GOTSBHOMSA-N 2 2 377.532 3.533 20 0 GHADLP CNC(=O)c1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000248005341 870260505 /nfs/dbraw/zinc/26/05/05/870260505.db2.gz KTPONHIVKGSGMF-GOTSBHOMSA-N 2 2 377.532 3.533 20 0 GHADLP CNC(=O)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000248005341 870260525 /nfs/dbraw/zinc/26/05/25/870260525.db2.gz KTPONHIVKGSGMF-GOTSBHOMSA-N 2 2 377.532 3.533 20 0 GHADLP CNC(=O)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000248005341 870260545 /nfs/dbraw/zinc/26/05/45/870260545.db2.gz KTPONHIVKGSGMF-GOTSBHOMSA-N 2 2 377.532 3.533 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000248067369 870278247 /nfs/dbraw/zinc/27/82/47/870278247.db2.gz MHNGJEQYSGAJLE-VJBMBRPKSA-N 2 2 396.554 3.998 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000248067369 870278269 /nfs/dbraw/zinc/27/82/69/870278269.db2.gz MHNGJEQYSGAJLE-VJBMBRPKSA-N 2 2 396.554 3.998 20 0 GHADLP CC(C)[C@H](COCc1ccccc1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000446756328 870304943 /nfs/dbraw/zinc/30/49/43/870304943.db2.gz GZQICVFJCQHIJT-DEOSSOPVSA-N 2 2 382.548 3.850 20 0 GHADLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc2c1OCCO2 ZINC000538733075 870472678 /nfs/dbraw/zinc/47/26/78/870472678.db2.gz PFKJYXSAIFHUHG-NQIIRXRSSA-N 2 2 396.531 3.951 20 0 GHADLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc2c1OCCO2 ZINC000538733075 870472687 /nfs/dbraw/zinc/47/26/87/870472687.db2.gz PFKJYXSAIFHUHG-NQIIRXRSSA-N 2 2 396.531 3.951 20 0 GHADLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc2c1OCCO2 ZINC000538733075 870472694 /nfs/dbraw/zinc/47/26/94/870472694.db2.gz PFKJYXSAIFHUHG-NQIIRXRSSA-N 2 2 396.531 3.951 20 0 GHADLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc2c1OCCO2 ZINC000538733075 870472700 /nfs/dbraw/zinc/47/27/00/870472700.db2.gz PFKJYXSAIFHUHG-NQIIRXRSSA-N 2 2 396.531 3.951 20 0 GHADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cnc(-c4ccsc4)s3)CC2)CC1 ZINC000538763085 870604462 /nfs/dbraw/zinc/60/44/62/870604462.db2.gz DVUZVMSVFGZYPE-UHFFFAOYSA-N 2 2 390.622 3.862 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000446975512 870795849 /nfs/dbraw/zinc/79/58/49/870795849.db2.gz BPXDBDMOKAKQPL-KSSFIOAISA-N 2 2 394.357 3.773 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000446975512 870795855 /nfs/dbraw/zinc/79/58/55/870795855.db2.gz BPXDBDMOKAKQPL-KSSFIOAISA-N 2 2 394.357 3.773 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cncn1Cc1ccccc1C(F)(F)F)C2 ZINC001169109572 871234109 /nfs/dbraw/zinc/23/41/09/871234109.db2.gz DOLIADNTYJZGBS-OSYLJGHBSA-N 2 2 378.442 3.665 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cncn1Cc1ccccc1C(F)(F)F)C2 ZINC001169109572 871234129 /nfs/dbraw/zinc/23/41/29/871234129.db2.gz DOLIADNTYJZGBS-OSYLJGHBSA-N 2 2 378.442 3.665 20 0 GHADLP COc1cc(OC)c(C2OCCO2)cc1[NH2+][C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169143995 871254617 /nfs/dbraw/zinc/25/46/17/871254617.db2.gz LECRPDLIAMPCSQ-QKKBWIMNSA-N 2 2 378.513 3.705 20 0 GHADLP C[C@@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)[N@H+](C)C1CC1 ZINC000191511003 882496493 /nfs/dbraw/zinc/49/64/93/882496493.db2.gz QUPMNRRANRPJBQ-IFXJQAMLSA-N 2 2 381.358 3.989 20 0 GHADLP C[C@@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)[N@@H+](C)C1CC1 ZINC000191511003 882496499 /nfs/dbraw/zinc/49/64/99/882496499.db2.gz QUPMNRRANRPJBQ-IFXJQAMLSA-N 2 2 381.358 3.989 20 0 GHADLP O=C(OC1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1)c1ccccc1 ZINC001169280383 871362404 /nfs/dbraw/zinc/36/24/04/871362404.db2.gz PIHQMMRBXWKAIM-UHFFFAOYSA-N 2 2 379.504 3.808 20 0 GHADLP CC(C)(C)OC(=O)N(CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000181667410 871366187 /nfs/dbraw/zinc/36/61/87/871366187.db2.gz PVGDHSBMXHCDFA-UHFFFAOYSA-N 2 2 398.551 3.512 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCCC34CCOCC4)CC2)cc1 ZINC001169746385 871819296 /nfs/dbraw/zinc/81/92/96/871819296.db2.gz ZFXKGZVRTZOXJJ-NRFANRHFSA-N 2 2 391.987 3.791 20 0 GHADLP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)cccc21 ZINC000447723649 872213057 /nfs/dbraw/zinc/21/30/57/872213057.db2.gz QKWUSUAIKVPKNT-LEWJYISDSA-N 2 2 397.494 3.814 20 0 GHADLP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)cccc21 ZINC000447723649 872213076 /nfs/dbraw/zinc/21/30/76/872213076.db2.gz QKWUSUAIKVPKNT-LEWJYISDSA-N 2 2 397.494 3.814 20 0 GHADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)cc2OCc2cccnc2)CC1 ZINC000447742545 872231800 /nfs/dbraw/zinc/23/18/00/872231800.db2.gz DBYNNQUWRUOWBN-UHFFFAOYSA-N 2 2 383.536 3.975 20 0 GHADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)cc2OCc2cccnc2)CC1 ZINC000447742545 872231815 /nfs/dbraw/zinc/23/18/15/872231815.db2.gz DBYNNQUWRUOWBN-UHFFFAOYSA-N 2 2 383.536 3.975 20 0 GHADLP CC[N@@H+](Cc1ccc(OCCOC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564725 872274644 /nfs/dbraw/zinc/27/46/44/872274644.db2.gz VIOGVDZGYSMYGQ-UHFFFAOYSA-N 2 2 383.536 3.845 20 0 GHADLP CC[N@H+](Cc1ccc(OCCOC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564725 872274654 /nfs/dbraw/zinc/27/46/54/872274654.db2.gz VIOGVDZGYSMYGQ-UHFFFAOYSA-N 2 2 383.536 3.845 20 0 GHADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000463711439 872380023 /nfs/dbraw/zinc/38/00/23/872380023.db2.gz RKSAMINSAQRQIH-GOSISDBHSA-N 2 2 395.551 3.986 20 0 GHADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000463711439 872380042 /nfs/dbraw/zinc/38/00/42/872380042.db2.gz RKSAMINSAQRQIH-GOSISDBHSA-N 2 2 395.551 3.986 20 0 GHADLP CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191885084 882654929 /nfs/dbraw/zinc/65/49/29/882654929.db2.gz ZOIJVYNSUFBGOD-UHFFFAOYSA-N 2 2 378.476 3.650 20 0 GHADLP CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191885084 882654940 /nfs/dbraw/zinc/65/49/40/882654940.db2.gz ZOIJVYNSUFBGOD-UHFFFAOYSA-N 2 2 378.476 3.650 20 0 GHADLP COc1ccc(C[NH+]2CCC([NH2+]C3CC(C)(C)N(O)C(C)(C)C3)CC2)cc1 ZINC001169975826 872855405 /nfs/dbraw/zinc/85/54/05/872855405.db2.gz XPGIEVAAEFRWMR-UHFFFAOYSA-N 2 2 375.557 3.660 20 0 GHADLP c1cn(-c2ccc(C[NH2+]Cc3cc4ccccc4nc3N3CCOCC3)cc2)c[nH+]1 ZINC000921197323 882662324 /nfs/dbraw/zinc/66/23/24/882662324.db2.gz INBKCWWADXZHRM-UHFFFAOYSA-N 2 2 399.498 3.547 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000552567942 872863448 /nfs/dbraw/zinc/86/34/48/872863448.db2.gz FSOMTMGAUMOIBG-YFVAEKQCSA-N 2 2 381.495 3.574 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000552567942 872863456 /nfs/dbraw/zinc/86/34/56/872863456.db2.gz FSOMTMGAUMOIBG-YFVAEKQCSA-N 2 2 381.495 3.574 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000527263100 872906286 /nfs/dbraw/zinc/90/62/86/872906286.db2.gz SBKDGQSYYANUKN-VQTJNVASSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000527263100 872906301 /nfs/dbraw/zinc/90/63/01/872906301.db2.gz SBKDGQSYYANUKN-VQTJNVASSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000527263100 872906306 /nfs/dbraw/zinc/90/63/06/872906306.db2.gz SBKDGQSYYANUKN-VQTJNVASSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000527263100 872906319 /nfs/dbraw/zinc/90/63/19/872906319.db2.gz SBKDGQSYYANUKN-VQTJNVASSA-N 2 2 394.563 3.619 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)Cn1ncc2cccc(OCc3ccccc3)c21 ZINC000768494060 873354067 /nfs/dbraw/zinc/35/40/67/873354067.db2.gz MJEOPPXGWYJTPS-UHFFFAOYSA-N 2 2 375.476 3.791 20 0 GHADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000508623403 873388984 /nfs/dbraw/zinc/38/89/84/873388984.db2.gz AMBYNEUYZINPQI-LVCYWYKZSA-N 2 2 375.557 3.601 20 0 GHADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000508623403 873388997 /nfs/dbraw/zinc/38/89/97/873388997.db2.gz AMBYNEUYZINPQI-LVCYWYKZSA-N 2 2 375.557 3.601 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](C[NH+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)c1ccccc1 ZINC001196869676 873445814 /nfs/dbraw/zinc/44/58/14/873445814.db2.gz PLZFSUPCWSDHBT-QUIZSENMSA-N 2 2 396.600 3.888 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)c1ccccc1 ZINC001196869676 873445818 /nfs/dbraw/zinc/44/58/18/873445818.db2.gz PLZFSUPCWSDHBT-QUIZSENMSA-N 2 2 396.600 3.888 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)c1ccccc1 ZINC001196869676 873445821 /nfs/dbraw/zinc/44/58/21/873445821.db2.gz PLZFSUPCWSDHBT-QUIZSENMSA-N 2 2 396.600 3.888 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)c1ccccc1 ZINC001196869676 873445825 /nfs/dbraw/zinc/44/58/25/873445825.db2.gz PLZFSUPCWSDHBT-QUIZSENMSA-N 2 2 396.600 3.888 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1CC(C)(C)N(O)C(C)(C)C1)[C@@H]2C ZINC001169996368 873583726 /nfs/dbraw/zinc/58/37/26/873583726.db2.gz WCRUKZOKQLYCCA-MRXNPFEDSA-N 2 2 377.577 3.511 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CC(C)(C)N(O)C(C)(C)C1)[C@@H]2C ZINC001169996368 873583734 /nfs/dbraw/zinc/58/37/34/873583734.db2.gz WCRUKZOKQLYCCA-MRXNPFEDSA-N 2 2 377.577 3.511 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C1CC(C)(C)N(O)C(C)(C)C1)[C@@H]2C ZINC001169996368 873583740 /nfs/dbraw/zinc/58/37/40/873583740.db2.gz WCRUKZOKQLYCCA-MRXNPFEDSA-N 2 2 377.577 3.511 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1CC(C)(C)N(O)C(C)(C)C1)[C@@H]2C ZINC001169996368 873583749 /nfs/dbraw/zinc/58/37/49/873583749.db2.gz WCRUKZOKQLYCCA-MRXNPFEDSA-N 2 2 377.577 3.511 20 0 GHADLP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1c1ccc(Cl)cc1F ZINC000527794580 873613205 /nfs/dbraw/zinc/61/32/05/873613205.db2.gz BEVOBHRHKXOXCE-IBGZPJMESA-N 2 2 393.934 3.971 20 0 GHADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCC(=O)Nc2ccccc21)c1ccccc1 ZINC000541543470 873802123 /nfs/dbraw/zinc/80/21/23/873802123.db2.gz JVFVFNYUYYYQEU-UNMCSNQZSA-N 2 2 381.520 3.759 20 0 GHADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCC(=O)Nc2ccccc21)c1ccccc1 ZINC000541543470 873802135 /nfs/dbraw/zinc/80/21/35/873802135.db2.gz JVFVFNYUYYYQEU-UNMCSNQZSA-N 2 2 381.520 3.759 20 0 GHADLP COCOc1ccc(OC)cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000769148781 873846682 /nfs/dbraw/zinc/84/66/82/873846682.db2.gz RXMTUGLONFTUIR-RBUKOAKNSA-N 2 2 376.541 3.764 20 0 GHADLP COCOc1ccc(OC)cc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000769148781 873846703 /nfs/dbraw/zinc/84/67/03/873846703.db2.gz RXMTUGLONFTUIR-RBUKOAKNSA-N 2 2 376.541 3.764 20 0 GHADLP COCOc1ccc(OC)cc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000769148781 873846715 /nfs/dbraw/zinc/84/67/15/873846715.db2.gz RXMTUGLONFTUIR-RBUKOAKNSA-N 2 2 376.541 3.764 20 0 GHADLP COCOc1ccc(OC)cc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000769148781 873846733 /nfs/dbraw/zinc/84/67/33/873846733.db2.gz RXMTUGLONFTUIR-RBUKOAKNSA-N 2 2 376.541 3.764 20 0 GHADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(OCc4ccccc4F)cc3)CC2)C1 ZINC000769381230 874010583 /nfs/dbraw/zinc/01/05/83/874010583.db2.gz MSSVFGDCMNIXKB-QFIPXVFZSA-N 2 2 397.538 3.617 20 0 GHADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(OCc4ccccc4F)cc3)CC2)C1 ZINC000769381230 874010598 /nfs/dbraw/zinc/01/05/98/874010598.db2.gz MSSVFGDCMNIXKB-QFIPXVFZSA-N 2 2 397.538 3.617 20 0 GHADLP COc1ccc(Br)c(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1 ZINC001197930587 874117041 /nfs/dbraw/zinc/11/70/41/874117041.db2.gz QYUHRWANGKPVKF-AWEZNQCLSA-N 2 2 376.298 3.563 20 0 GHADLP COc1ccc(Br)c(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1 ZINC001197930587 874117045 /nfs/dbraw/zinc/11/70/45/874117045.db2.gz QYUHRWANGKPVKF-AWEZNQCLSA-N 2 2 376.298 3.563 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000769519976 874126918 /nfs/dbraw/zinc/12/69/18/874126918.db2.gz DLGLUZWAIVSOSA-QZTJIDSGSA-N 2 2 397.604 3.644 20 0 GHADLP Cc1cccc2[nH]c(NC(=O)c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)nc21 ZINC001198007892 874160241 /nfs/dbraw/zinc/16/02/41/874160241.db2.gz SGFVMHUOCZMIBQ-UHFFFAOYSA-N 2 2 379.508 3.507 20 0 GHADLP Cc1cccc2[nH]c(NC(=O)c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)nc21 ZINC001198007892 874160248 /nfs/dbraw/zinc/16/02/48/874160248.db2.gz SGFVMHUOCZMIBQ-UHFFFAOYSA-N 2 2 379.508 3.507 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2cnc3ccc(O)cc3c2)cc1 ZINC001198016979 874164820 /nfs/dbraw/zinc/16/48/20/874164820.db2.gz BRYWFQAMHPZFGZ-UHFFFAOYSA-N 2 2 392.503 3.576 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2cnc3ccc(O)cc3c2)cc1 ZINC001198016979 874164828 /nfs/dbraw/zinc/16/48/28/874164828.db2.gz BRYWFQAMHPZFGZ-UHFFFAOYSA-N 2 2 392.503 3.576 20 0 GHADLP Cc1ccc(CN(C)C(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)cc1C ZINC001198022344 874184020 /nfs/dbraw/zinc/18/40/20/874184020.db2.gz SZACLZVHOHYVKD-UHFFFAOYSA-N 2 2 381.564 3.959 20 0 GHADLP Cc1ccc(CN(C)C(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)cc1C ZINC001198022344 874184023 /nfs/dbraw/zinc/18/40/23/874184023.db2.gz SZACLZVHOHYVKD-UHFFFAOYSA-N 2 2 381.564 3.959 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2cccc3c2OCCC3)cc1 ZINC001198030115 874188316 /nfs/dbraw/zinc/18/83/16/874188316.db2.gz HTDIDYSMGHCKLA-UHFFFAOYSA-N 2 2 381.520 3.647 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2cccc3c2OCCC3)cc1 ZINC001198030115 874188322 /nfs/dbraw/zinc/18/83/22/874188322.db2.gz HTDIDYSMGHCKLA-UHFFFAOYSA-N 2 2 381.520 3.647 20 0 GHADLP Cc1ccc([C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CCCC2)o1 ZINC000541735499 874193444 /nfs/dbraw/zinc/19/34/44/874193444.db2.gz WCMCMHYCTALBAM-QHCPKHFHSA-N 2 2 396.535 3.543 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000769930941 874374806 /nfs/dbraw/zinc/37/48/06/874374806.db2.gz QSLMUDFHYSDNAR-XERBYJISSA-N 2 2 379.548 3.855 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000769930941 874374823 /nfs/dbraw/zinc/37/48/23/874374823.db2.gz QSLMUDFHYSDNAR-XERBYJISSA-N 2 2 379.548 3.855 20 0 GHADLP COc1cc2ccccc2cc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000449086809 874441382 /nfs/dbraw/zinc/44/13/82/874441382.db2.gz CPPWUQKPMVTNNF-UHFFFAOYSA-N 2 2 376.500 3.970 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528391768 874506406 /nfs/dbraw/zinc/50/64/06/874506406.db2.gz FGWTVMPWRKBOFB-OAQYLSRUSA-N 2 2 384.568 3.554 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528391768 874506412 /nfs/dbraw/zinc/50/64/12/874506412.db2.gz FGWTVMPWRKBOFB-OAQYLSRUSA-N 2 2 384.568 3.554 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843454 874619341 /nfs/dbraw/zinc/61/93/41/874619341.db2.gz VACCQHGZVFQMFX-REWPJTCUSA-N 2 2 395.547 3.866 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843454 874619349 /nfs/dbraw/zinc/61/93/49/874619349.db2.gz VACCQHGZVFQMFX-REWPJTCUSA-N 2 2 395.547 3.866 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843454 874619352 /nfs/dbraw/zinc/61/93/52/874619352.db2.gz VACCQHGZVFQMFX-REWPJTCUSA-N 2 2 395.547 3.866 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843454 874619359 /nfs/dbraw/zinc/61/93/59/874619359.db2.gz VACCQHGZVFQMFX-REWPJTCUSA-N 2 2 395.547 3.866 20 0 GHADLP C[C@H](CNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000464847419 874630917 /nfs/dbraw/zinc/63/09/17/874630917.db2.gz LHVHHAVJRCJLFV-GIWBLDEGSA-N 2 2 393.575 3.749 20 0 GHADLP C[C@H](CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000464847419 874630926 /nfs/dbraw/zinc/63/09/26/874630926.db2.gz LHVHHAVJRCJLFV-GIWBLDEGSA-N 2 2 393.575 3.749 20 0 GHADLP C[C@H](CNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000464847419 874630929 /nfs/dbraw/zinc/63/09/29/874630929.db2.gz LHVHHAVJRCJLFV-GIWBLDEGSA-N 2 2 393.575 3.749 20 0 GHADLP C[C@H](CNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000464847419 874630937 /nfs/dbraw/zinc/63/09/37/874630937.db2.gz LHVHHAVJRCJLFV-GIWBLDEGSA-N 2 2 393.575 3.749 20 0 GHADLP C[NH+](C)CCOc1cnccc1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449330055 874713775 /nfs/dbraw/zinc/71/37/75/874713775.db2.gz RJIPKDFVBAOXBY-UHFFFAOYSA-N 3 2 390.616 3.791 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccc(-c4ccccc4)o3)C2)CC1 ZINC000449493776 874924838 /nfs/dbraw/zinc/92/48/38/874924838.db2.gz FLZHTAZITRBZOU-NRFANRHFSA-N 2 2 395.547 3.713 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccc(-c4ccccc4)o3)C2)CC1 ZINC000449493776 874924850 /nfs/dbraw/zinc/92/48/50/874924850.db2.gz FLZHTAZITRBZOU-NRFANRHFSA-N 2 2 395.547 3.713 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)o3)C2)CC1 ZINC000449493776 874924854 /nfs/dbraw/zinc/92/48/54/874924854.db2.gz FLZHTAZITRBZOU-NRFANRHFSA-N 2 2 395.547 3.713 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)o3)C2)CC1 ZINC000449493776 874924860 /nfs/dbraw/zinc/92/48/60/874924860.db2.gz FLZHTAZITRBZOU-NRFANRHFSA-N 2 2 395.547 3.713 20 0 GHADLP CCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)cc1F ZINC000449525412 875003219 /nfs/dbraw/zinc/00/32/19/875003219.db2.gz RWEXYLYFAVVNCK-UHFFFAOYSA-N 2 2 399.510 3.937 20 0 GHADLP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542165493 875066601 /nfs/dbraw/zinc/06/66/01/875066601.db2.gz DZDWVXOROPRQKM-JOCHJYFZSA-N 2 2 380.536 3.567 20 0 GHADLP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542165493 875066612 /nfs/dbraw/zinc/06/66/12/875066612.db2.gz DZDWVXOROPRQKM-JOCHJYFZSA-N 2 2 380.536 3.567 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H]3CC[NH+]3C3CCCC3)n2)C1 ZINC000528879034 875207265 /nfs/dbraw/zinc/20/72/65/875207265.db2.gz VIJJRXFEULGFAA-CRAIPNDOSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H]3CC[NH+]3C3CCCC3)n2)C1 ZINC000528879034 875207277 /nfs/dbraw/zinc/20/72/77/875207277.db2.gz VIJJRXFEULGFAA-CRAIPNDOSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)n2)C1 ZINC000528879034 875207287 /nfs/dbraw/zinc/20/72/87/875207287.db2.gz VIJJRXFEULGFAA-CRAIPNDOSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000528890233 875224102 /nfs/dbraw/zinc/22/41/02/875224102.db2.gz AUYYXYBDPRALHS-YZGWKJHDSA-N 2 2 375.557 3.569 20 0 GHADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000528890233 875224105 /nfs/dbraw/zinc/22/41/05/875224105.db2.gz AUYYXYBDPRALHS-YZGWKJHDSA-N 2 2 375.557 3.569 20 0 GHADLP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccnc2Cl)CC1)CC1CC1 ZINC000771475219 875277982 /nfs/dbraw/zinc/27/79/82/875277982.db2.gz GYKDCJVGNGLXHW-INIZCTEOSA-N 2 2 392.975 3.896 20 0 GHADLP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccnc2Cl)CC1)CC1CC1 ZINC000771475219 875277994 /nfs/dbraw/zinc/27/79/94/875277994.db2.gz GYKDCJVGNGLXHW-INIZCTEOSA-N 2 2 392.975 3.896 20 0 GHADLP COc1ccc(C[NH+]2CCN(C)CC2)cc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170453348 882918811 /nfs/dbraw/zinc/91/88/11/882918811.db2.gz IMYILLPHWHIOSB-UHFFFAOYSA-N 2 2 388.600 3.506 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000449776716 875378582 /nfs/dbraw/zinc/37/85/82/875378582.db2.gz TYRYYWDNKSWKON-FXAWDEMLSA-N 2 2 378.944 3.983 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)C2 ZINC000476727798 882939892 /nfs/dbraw/zinc/93/98/92/882939892.db2.gz KNKPCZIRBPNLBO-SIKLNZKXSA-N 2 2 396.579 3.911 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C)C2 ZINC000476727798 882939903 /nfs/dbraw/zinc/93/99/03/882939903.db2.gz KNKPCZIRBPNLBO-SIKLNZKXSA-N 2 2 396.579 3.911 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)CC2 ZINC000476727798 882939919 /nfs/dbraw/zinc/93/99/19/882939919.db2.gz KNKPCZIRBPNLBO-SIKLNZKXSA-N 2 2 396.579 3.911 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C)CC2 ZINC000476727798 882939931 /nfs/dbraw/zinc/93/99/31/882939931.db2.gz KNKPCZIRBPNLBO-SIKLNZKXSA-N 2 2 396.579 3.911 20 0 GHADLP CCSCc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000172754776 875901479 /nfs/dbraw/zinc/90/14/79/875901479.db2.gz ZUAXHFLMDXCOCL-UHFFFAOYSA-N 2 2 389.609 3.620 20 0 GHADLP COc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c2ccccc12 ZINC000172754144 875901795 /nfs/dbraw/zinc/90/17/95/875901795.db2.gz KCHPEIGIGHRQSN-UHFFFAOYSA-N 2 2 395.547 3.529 20 0 GHADLP OC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Br)c(F)c1 ZINC000492023640 876100403 /nfs/dbraw/zinc/10/04/03/876100403.db2.gz MNMNVUSZVMMPRV-MRXNPFEDSA-N 2 2 396.285 3.659 20 0 GHADLP Clc1cc(C[NH2+]CCc2ccc3c[nH]nc3c2)ccc1OCCn1cc[nH+]c1 ZINC001202374139 876171832 /nfs/dbraw/zinc/17/18/32/876171832.db2.gz HEXLNGHSEOFNBE-UHFFFAOYSA-N 2 2 395.894 3.824 20 0 GHADLP CC[N@H+](Cc1ccn(CC(F)(F)F)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000450452490 876454228 /nfs/dbraw/zinc/45/42/28/876454228.db2.gz HUIUMSWIOFEDEM-UHFFFAOYSA-N 2 2 381.446 3.579 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H](C)[C@@H]3OCCc4sccc43)sc2C1 ZINC000492228215 876456311 /nfs/dbraw/zinc/45/63/11/876456311.db2.gz UKTOXYYBIGQNGJ-DJJJIMSYSA-N 2 2 377.579 3.763 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H](C)[C@@H]3OCCc4sccc43)sc2C1 ZINC000492228215 876456320 /nfs/dbraw/zinc/45/63/20/876456320.db2.gz UKTOXYYBIGQNGJ-DJJJIMSYSA-N 2 2 377.579 3.763 20 0 GHADLP Cc1ccc(S[C@H](C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460506789 883074588 /nfs/dbraw/zinc/07/45/88/883074588.db2.gz IGVGFUMYRBWKRQ-LJQANCHMSA-N 2 2 389.609 3.542 20 0 GHADLP CC[N@@H+](CC(=O)N1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174393376 877004018 /nfs/dbraw/zinc/00/40/18/877004018.db2.gz RIJDQSAQWHVEJI-UHFFFAOYSA-N 2 2 392.547 3.599 20 0 GHADLP CC[N@H+](CC(=O)N1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174393376 877004034 /nfs/dbraw/zinc/00/40/34/877004034.db2.gz RIJDQSAQWHVEJI-UHFFFAOYSA-N 2 2 392.547 3.599 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000786920764 877029893 /nfs/dbraw/zinc/02/98/93/877029893.db2.gz OMXUOCDZHXXMJE-NTKDMRAZSA-N 2 2 392.547 3.922 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000786920764 877029909 /nfs/dbraw/zinc/02/99/09/877029909.db2.gz OMXUOCDZHXXMJE-NTKDMRAZSA-N 2 2 392.547 3.922 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1c(=O)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000746628015 877108569 /nfs/dbraw/zinc/10/85/69/877108569.db2.gz SFHLHBYUMCYJRA-MRXNPFEDSA-N 2 2 376.570 3.545 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1c(=O)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000746628015 877108579 /nfs/dbraw/zinc/10/85/79/877108579.db2.gz SFHLHBYUMCYJRA-MRXNPFEDSA-N 2 2 376.570 3.545 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccnc(C(F)(F)F)c2)CC1 ZINC000451194020 877559723 /nfs/dbraw/zinc/55/97/23/877559723.db2.gz QYQLHUGMJVOQRL-UHFFFAOYSA-N 2 2 398.860 3.795 20 0 GHADLP C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000788260141 877965606 /nfs/dbraw/zinc/96/56/06/877965606.db2.gz UQFNNLULLKTZEZ-HKUYNNGSSA-N 2 2 375.557 3.585 20 0 GHADLP CC(C)c1nn(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(=S)n1C ZINC000179918132 878213619 /nfs/dbraw/zinc/21/36/19/878213619.db2.gz KDMVCTOOBWEFJH-UHFFFAOYSA-N 2 2 388.585 3.665 20 0 GHADLP CC(C)c1nn(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(=S)n1C ZINC000179918132 878213640 /nfs/dbraw/zinc/21/36/40/878213640.db2.gz KDMVCTOOBWEFJH-UHFFFAOYSA-N 2 2 388.585 3.665 20 0 GHADLP CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(C)ccc1OC ZINC000537879863 878448937 /nfs/dbraw/zinc/44/89/37/878448937.db2.gz GTILGLMZLJSIPH-JOCHJYFZSA-N 2 2 395.547 3.632 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1sccc1Br ZINC000537962270 878596452 /nfs/dbraw/zinc/59/64/52/878596452.db2.gz RWBAQHXMQCQMSN-RCBQFDQVSA-N 2 2 387.387 3.929 20 0 GHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000530949909 878823197 /nfs/dbraw/zinc/82/31/97/878823197.db2.gz WZMFIZXPDUMYEE-UHFFFAOYSA-N 2 2 381.307 3.555 20 0 GHADLP COC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(F)c(F)c1 ZINC000246084146 878948310 /nfs/dbraw/zinc/94/83/10/878948310.db2.gz VQTJHXWZRRYUOC-OPAMFIHVSA-N 2 2 390.474 3.663 20 0 GHADLP COC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(F)c(F)c1 ZINC000246084146 878948323 /nfs/dbraw/zinc/94/83/23/878948323.db2.gz VQTJHXWZRRYUOC-OPAMFIHVSA-N 2 2 390.474 3.663 20 0 GHADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000311965485 879145142 /nfs/dbraw/zinc/14/51/42/879145142.db2.gz OBVQUAJZFMHPQK-SNVBAGLBSA-N 2 2 394.151 3.508 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]CCCCn2cc[nH+]c2)cs1)c1ccc(C)cc1 ZINC000538376366 879379858 /nfs/dbraw/zinc/37/98/58/879379858.db2.gz XCPPKRLWCCUTCD-UHFFFAOYSA-N 2 2 383.521 3.903 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC001183394916 912475899 /nfs/dbraw/zinc/47/58/99/912475899.db2.gz JEDHJJUKVMMQGG-SDUSCBPUSA-N 2 2 399.623 3.829 20 0 GHADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC001183394916 912475907 /nfs/dbraw/zinc/47/59/07/912475907.db2.gz JEDHJJUKVMMQGG-SDUSCBPUSA-N 2 2 399.623 3.829 20 0 GHADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000790530513 879798356 /nfs/dbraw/zinc/79/83/56/879798356.db2.gz RMRGQFPUFMKDED-UHFFFAOYSA-N 2 2 398.938 3.815 20 0 GHADLP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246819437 879814339 /nfs/dbraw/zinc/81/43/39/879814339.db2.gz NRIHNGBTGIFXAW-UZVYXBEXSA-N 2 2 383.580 3.981 20 0 GHADLP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246819437 879814364 /nfs/dbraw/zinc/81/43/64/879814364.db2.gz NRIHNGBTGIFXAW-UZVYXBEXSA-N 2 2 383.580 3.981 20 0 GHADLP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246819437 879814383 /nfs/dbraw/zinc/81/43/83/879814383.db2.gz NRIHNGBTGIFXAW-UZVYXBEXSA-N 2 2 383.580 3.981 20 0 GHADLP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246819437 879814415 /nfs/dbraw/zinc/81/44/15/879814415.db2.gz NRIHNGBTGIFXAW-UZVYXBEXSA-N 2 2 383.580 3.981 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC001170139630 879815626 /nfs/dbraw/zinc/81/56/26/879815626.db2.gz LQVOCMTVRLTFLX-OAQYLSRUSA-N 2 2 382.508 3.768 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC001170139630 879815641 /nfs/dbraw/zinc/81/56/41/879815641.db2.gz LQVOCMTVRLTFLX-OAQYLSRUSA-N 2 2 382.508 3.768 20 0 GHADLP CN(C(=O)Nc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000247005658 879880784 /nfs/dbraw/zinc/88/07/84/879880784.db2.gz UHQXLEIGOKDYCU-VQTJNVASSA-N 2 2 376.520 3.627 20 0 GHADLP CN(C(=O)Nc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247005658 879880797 /nfs/dbraw/zinc/88/07/97/879880797.db2.gz UHQXLEIGOKDYCU-VQTJNVASSA-N 2 2 376.520 3.627 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000247152104 879932142 /nfs/dbraw/zinc/93/21/42/879932142.db2.gz XBQGFOCEOUCQQF-IEBWSBKVSA-N 2 2 384.593 3.850 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000247152104 879932149 /nfs/dbraw/zinc/93/21/49/879932149.db2.gz XBQGFOCEOUCQQF-IEBWSBKVSA-N 2 2 384.593 3.850 20 0 GHADLP C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247431749 879997900 /nfs/dbraw/zinc/99/79/00/879997900.db2.gz LEKZSFMAQWPXQF-YHBROIRLSA-N 2 2 395.551 3.531 20 0 GHADLP C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[N@H+]1CCC[C@@H](C)C1 ZINC000247431749 879997909 /nfs/dbraw/zinc/99/79/09/879997909.db2.gz LEKZSFMAQWPXQF-YHBROIRLSA-N 2 2 395.551 3.531 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)Cc3cn(C)nc3C3CC3)cc2)C[C@H](C)O1 ZINC001183491473 912553740 /nfs/dbraw/zinc/55/37/40/912553740.db2.gz QIPDRAONUZZNNK-HDICACEKSA-N 2 2 382.552 3.539 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3cn(C)nc3C3CC3)cc2)C[C@H](C)O1 ZINC001183491473 912553749 /nfs/dbraw/zinc/55/37/49/912553749.db2.gz QIPDRAONUZZNNK-HDICACEKSA-N 2 2 382.552 3.539 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3cn(C)nc3C3CC3)cc2)C[C@H](C)O1 ZINC001183491473 912553763 /nfs/dbraw/zinc/55/37/63/912553763.db2.gz QIPDRAONUZZNNK-HDICACEKSA-N 2 2 382.552 3.539 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3cn(C)nc3C3CC3)cc2)C[C@H](C)O1 ZINC001183491473 912553779 /nfs/dbraw/zinc/55/37/79/912553779.db2.gz QIPDRAONUZZNNK-HDICACEKSA-N 2 2 382.552 3.539 20 0 GHADLP Cn1ccnc1[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000453058304 880410580 /nfs/dbraw/zinc/41/05/80/880410580.db2.gz GORSQGOZTZRCFO-OAQYLSRUSA-N 2 2 398.938 3.893 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453104746 880471658 /nfs/dbraw/zinc/47/16/58/880471658.db2.gz DESPOHCWZHKTPP-RTWAWAEBSA-N 2 2 394.987 3.909 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)Cc3cnc(C4CC4)nc3)cc2)C[C@H](C)O1 ZINC001183492856 912588791 /nfs/dbraw/zinc/58/87/91/912588791.db2.gz ZWLCMKJHQXAHQM-HDICACEKSA-N 2 2 380.536 3.595 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3cnc(C4CC4)nc3)cc2)C[C@H](C)O1 ZINC001183492856 912588798 /nfs/dbraw/zinc/58/87/98/912588798.db2.gz ZWLCMKJHQXAHQM-HDICACEKSA-N 2 2 380.536 3.595 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3cnc(C4CC4)nc3)cc2)C[C@H](C)O1 ZINC001183492856 912588806 /nfs/dbraw/zinc/58/88/06/912588806.db2.gz ZWLCMKJHQXAHQM-HDICACEKSA-N 2 2 380.536 3.595 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3cnc(C4CC4)nc3)cc2)C[C@H](C)O1 ZINC001183492856 912588816 /nfs/dbraw/zinc/58/88/16/912588816.db2.gz ZWLCMKJHQXAHQM-HDICACEKSA-N 2 2 380.536 3.595 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H](OC(C)C)C3(C)C)CC2)cc1 ZINC000453331537 880764284 /nfs/dbraw/zinc/76/42/84/880764284.db2.gz UINDMBUZNJSNFY-FGZHOGPDSA-N 2 2 387.568 3.791 20 0 GHADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000531960886 880824741 /nfs/dbraw/zinc/82/47/41/880824741.db2.gz FPQNGMREMOGKGX-JPYJTQIMSA-N 2 2 395.547 3.932 20 0 GHADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000531960886 880824755 /nfs/dbraw/zinc/82/47/55/880824755.db2.gz FPQNGMREMOGKGX-JPYJTQIMSA-N 2 2 395.547 3.932 20 0 GHADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000532016341 880931193 /nfs/dbraw/zinc/93/11/93/880931193.db2.gz VVONQTVUZVWDTL-YADHBBJMSA-N 2 2 396.579 3.637 20 0 GHADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)CC2)oc1C ZINC000551049832 883171432 /nfs/dbraw/zinc/17/14/32/883171432.db2.gz BSMLONYMXXMQJA-DHIUTWEWSA-N 3 2 396.579 3.929 20 0 GHADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)CC2)oc1C ZINC000551049832 883171435 /nfs/dbraw/zinc/17/14/35/883171435.db2.gz BSMLONYMXXMQJA-DHIUTWEWSA-N 3 2 396.579 3.929 20 0 GHADLP Brc1ccc2nc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cn2c1 ZINC000130037233 884085667 /nfs/dbraw/zinc/08/56/67/884085667.db2.gz AIDZFPLNOFVGKC-UHFFFAOYSA-N 2 2 391.357 3.984 20 0 GHADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)c2C1 ZINC000498445941 884458218 /nfs/dbraw/zinc/45/82/18/884458218.db2.gz QMWYFCVJGFTDTM-IEBWSBKVSA-N 2 2 378.520 3.764 20 0 GHADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)c2C1 ZINC000498445941 884458225 /nfs/dbraw/zinc/45/82/25/884458225.db2.gz QMWYFCVJGFTDTM-IEBWSBKVSA-N 2 2 378.520 3.764 20 0 GHADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000556387523 884730623 /nfs/dbraw/zinc/73/06/23/884730623.db2.gz SSIAUNVFNMVPML-UHFFFAOYSA-N 2 2 386.389 3.955 20 0 GHADLP C[C@@H]1[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCN1Cc1ccccc1 ZINC000806662628 884920216 /nfs/dbraw/zinc/92/02/16/884920216.db2.gz FUILLMPMRHNEMY-NLFFAJNJSA-N 2 2 392.591 3.974 20 0 GHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+]([C@@H]4CCCc5ccccc54)C3)CC2)nc1 ZINC000498581297 884927062 /nfs/dbraw/zinc/92/70/62/884927062.db2.gz WGKSSPOSYUYQET-XUZZJYLKSA-N 2 2 390.575 3.993 20 0 GHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+]([C@@H]4CCCc5ccccc54)C3)CC2)nc1 ZINC000498581297 884927078 /nfs/dbraw/zinc/92/70/78/884927078.db2.gz WGKSSPOSYUYQET-XUZZJYLKSA-N 2 2 390.575 3.993 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000666895054 885042235 /nfs/dbraw/zinc/04/22/35/885042235.db2.gz GIHDXFKRJCERPO-IBGZPJMESA-N 2 2 381.524 3.881 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000666895054 885042251 /nfs/dbraw/zinc/04/22/51/885042251.db2.gz GIHDXFKRJCERPO-IBGZPJMESA-N 2 2 381.524 3.881 20 0 GHADLP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000556511232 885166287 /nfs/dbraw/zinc/16/62/87/885166287.db2.gz SMJPVZGJXGSANZ-QGZVFWFLSA-N 2 2 383.517 3.825 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000532515380 885909042 /nfs/dbraw/zinc/90/90/42/885909042.db2.gz RXLPUNIIPHYRCU-OAHLLOKOSA-N 2 2 381.948 3.536 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498843569 885915184 /nfs/dbraw/zinc/91/51/84/885915184.db2.gz KGZPJWAAEHKSMQ-TZIWHRDSSA-N 2 2 389.559 3.617 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498843569 885915196 /nfs/dbraw/zinc/91/51/96/885915196.db2.gz KGZPJWAAEHKSMQ-TZIWHRDSSA-N 2 2 389.559 3.617 20 0 GHADLP Cc1ccccc1Nc1nc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cs1 ZINC000532564734 886096168 /nfs/dbraw/zinc/09/61/68/886096168.db2.gz BJLIJAHMKSCIBT-HXUWFJFHSA-N 2 2 399.608 3.795 20 0 GHADLP Cc1ccccc1Nc1nc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cs1 ZINC000532564734 886096176 /nfs/dbraw/zinc/09/61/76/886096176.db2.gz BJLIJAHMKSCIBT-HXUWFJFHSA-N 2 2 399.608 3.795 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000495622916 886253886 /nfs/dbraw/zinc/25/38/86/886253886.db2.gz GOCMIVLAYVOPSW-UHFFFAOYSA-N 2 2 380.536 3.843 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000495622916 886253906 /nfs/dbraw/zinc/25/39/06/886253906.db2.gz GOCMIVLAYVOPSW-UHFFFAOYSA-N 2 2 380.536 3.843 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000287007314 913028474 /nfs/dbraw/zinc/02/84/74/913028474.db2.gz HLJJBJGIZNNJPO-PKOBYXMFSA-N 2 2 391.519 3.692 20 0 GHADLP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000123570610 886649767 /nfs/dbraw/zinc/64/97/67/886649767.db2.gz CQQFYZBCXZNUGT-MBSDFSHPSA-N 2 2 389.547 3.884 20 0 GHADLP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000123570610 886649779 /nfs/dbraw/zinc/64/97/79/886649779.db2.gz CQQFYZBCXZNUGT-MBSDFSHPSA-N 2 2 389.547 3.884 20 0 GHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000808679045 886680715 /nfs/dbraw/zinc/68/07/15/886680715.db2.gz BGOFEAYPOLTDPP-ICSRJNTNSA-N 2 2 384.524 3.941 20 0 GHADLP C[NH+](C)C1(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CCC1 ZINC000119404276 887046373 /nfs/dbraw/zinc/04/63/73/887046373.db2.gz ZWVHKRWTAQBVHV-UHFFFAOYSA-N 2 2 388.515 3.699 20 0 GHADLP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)OCc1ccccc1 ZINC000762927459 887116093 /nfs/dbraw/zinc/11/60/93/887116093.db2.gz TYMNLPPPKXWMNT-UHFFFAOYSA-N 2 2 378.516 3.718 20 0 GHADLP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)OCc1ccccc1 ZINC000762927459 887116097 /nfs/dbraw/zinc/11/60/97/887116097.db2.gz TYMNLPPPKXWMNT-UHFFFAOYSA-N 2 2 378.516 3.718 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1-c1noc([C@@H]([NH3+])c2cccc(OC)c2)n1 ZINC000863669368 887277641 /nfs/dbraw/zinc/27/76/41/887277641.db2.gz WILHZUNGYGFRFU-FQEVSTJZSA-N 2 2 396.491 3.514 20 0 GHADLP Cc1cc(NCCNC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)nc(C(C)C)[nH+]1 ZINC000863938507 887471685 /nfs/dbraw/zinc/47/16/85/887471685.db2.gz FWOXEXTYUJYBHM-FQEVSTJZSA-N 2 2 395.551 3.560 20 0 GHADLP Cc1cc(NCCNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)nc(C(C)C)[nH+]1 ZINC000863938507 887471692 /nfs/dbraw/zinc/47/16/92/887471692.db2.gz FWOXEXTYUJYBHM-FQEVSTJZSA-N 2 2 395.551 3.560 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3Cc3ccccc3)CC2)CC1 ZINC000050799460 887701915 /nfs/dbraw/zinc/70/19/15/887701915.db2.gz OJGFOYGLORFYCX-UHFFFAOYSA-N 2 2 391.559 3.566 20 0 GHADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809719397 887742044 /nfs/dbraw/zinc/74/20/44/887742044.db2.gz YZRXCVQRGSHBMQ-NRFANRHFSA-N 2 2 379.545 3.680 20 0 GHADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809719397 887742062 /nfs/dbraw/zinc/74/20/62/887742062.db2.gz YZRXCVQRGSHBMQ-NRFANRHFSA-N 2 2 379.545 3.680 20 0 GHADLP C[NH+](CCC[N@H+](C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)Cc1ccco1 ZINC000809719397 887742068 /nfs/dbraw/zinc/74/20/68/887742068.db2.gz YZRXCVQRGSHBMQ-NRFANRHFSA-N 2 2 379.545 3.680 20 0 GHADLP C[NH+](CCC[N@@H+](C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)Cc1ccco1 ZINC000809719397 887742083 /nfs/dbraw/zinc/74/20/83/887742083.db2.gz YZRXCVQRGSHBMQ-NRFANRHFSA-N 2 2 379.545 3.680 20 0 GHADLP COCOc1ccc(OC)cc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000120178511 887928129 /nfs/dbraw/zinc/92/81/29/887928129.db2.gz BKGQTDGRTXDWGU-UHFFFAOYSA-N 2 2 399.535 3.503 20 0 GHADLP Fc1cccc2c(C[NH+]3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)c[nH]c21 ZINC001137053667 888702401 /nfs/dbraw/zinc/70/24/01/888702401.db2.gz FEOQPEYJVHGHIB-UHFFFAOYSA-N 2 2 380.467 3.573 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000532739653 888858198 /nfs/dbraw/zinc/85/81/98/888858198.db2.gz OEKDULDDLYWXLA-RKKYOWQMSA-N 2 2 395.551 3.556 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000532739653 888858204 /nfs/dbraw/zinc/85/82/04/888858204.db2.gz OEKDULDDLYWXLA-RKKYOWQMSA-N 2 2 395.551 3.556 20 0 GHADLP CC(C)C[C@H](C[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)[NH+](C)C ZINC000532764079 888907272 /nfs/dbraw/zinc/90/72/72/888907272.db2.gz ZQBSHOSUGSLQEX-IPMKNSEASA-N 2 2 385.552 3.550 20 0 GHADLP C[C@H]([NH2+]Cc1ncc(Br)s1)c1cccc(OCC[NH+](C)C)c1 ZINC000866617003 888970211 /nfs/dbraw/zinc/97/02/11/888970211.db2.gz WOCJPXSLOYSLNK-LBPRGKRZSA-N 2 2 384.343 3.697 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123542455 889324471 /nfs/dbraw/zinc/32/44/71/889324471.db2.gz QWJXHJZJJQLRAH-OAHLLOKOSA-N 2 2 396.373 3.830 20 0 GHADLP CC(=O)c1ccccc1NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000532953103 889368715 /nfs/dbraw/zinc/36/87/15/889368715.db2.gz DZDCFHQNOPTOMY-UHFFFAOYSA-N 2 2 393.531 3.672 20 0 GHADLP CC(=O)c1ccccc1NC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000532953103 889368726 /nfs/dbraw/zinc/36/87/26/889368726.db2.gz DZDCFHQNOPTOMY-UHFFFAOYSA-N 2 2 393.531 3.672 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000124708841 889732833 /nfs/dbraw/zinc/73/28/33/889732833.db2.gz NUQFHSAQABQUQV-SFTDATJTSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000124708841 889732845 /nfs/dbraw/zinc/73/28/45/889732845.db2.gz NUQFHSAQABQUQV-SFTDATJTSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1cc(F)cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124788954 889762675 /nfs/dbraw/zinc/76/26/75/889762675.db2.gz SEXCSLGSJTYKTA-LEWJYISDSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1cc(F)cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124788954 889762685 /nfs/dbraw/zinc/76/26/85/889762685.db2.gz SEXCSLGSJTYKTA-LEWJYISDSA-N 2 2 375.532 3.543 20 0 GHADLP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(Cl)c1F ZINC000287630058 913456452 /nfs/dbraw/zinc/45/64/52/913456452.db2.gz KIDDDSLMMZMSAT-XLIONFOSSA-N 2 2 392.902 3.523 20 0 GHADLP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(Cl)c1F ZINC000287630058 913456465 /nfs/dbraw/zinc/45/64/65/913456465.db2.gz KIDDDSLMMZMSAT-XLIONFOSSA-N 2 2 392.902 3.523 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cc(F)c(F)c(F)c1 ZINC000126696405 890652634 /nfs/dbraw/zinc/65/26/34/890652634.db2.gz IGYNYSGZAKRMIZ-OAHLLOKOSA-N 2 2 377.454 3.702 20 0 GHADLP C[C@H]1C[C@@H](CCNC(=O)N2CCC(n3cc[nH+]c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000533578614 890889063 /nfs/dbraw/zinc/88/90/63/890889063.db2.gz GBGHIPHWNIUOIV-PZJWPPBQSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@H]1C[C@@H](CCNC(=O)N2CCC(n3cc[nH+]c3)CC2)C[N@H+]1Cc1ccccc1 ZINC000533578614 890889079 /nfs/dbraw/zinc/88/90/79/890889079.db2.gz GBGHIPHWNIUOIV-PZJWPPBQSA-N 2 2 395.551 3.530 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(Nc3nc(C(F)(F)F)nc4ccccc43)CC2)CC1 ZINC000747810680 890939089 /nfs/dbraw/zinc/93/90/89/890939089.db2.gz RXCCZDVAPDIDEF-UHFFFAOYSA-N 2 2 393.457 3.619 20 0 GHADLP CCc1ccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533649411 891042870 /nfs/dbraw/zinc/04/28/70/891042870.db2.gz UBMCFWXRTWWTPS-PKTZIBPZSA-N 2 2 385.596 3.587 20 0 GHADLP CCc1ccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533649411 891042878 /nfs/dbraw/zinc/04/28/78/891042878.db2.gz UBMCFWXRTWWTPS-PKTZIBPZSA-N 2 2 385.596 3.587 20 0 GHADLP C[C@H]1C[C@H](NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000533665492 891074529 /nfs/dbraw/zinc/07/45/29/891074529.db2.gz QTHYSLADPKJUDR-YMYKFTITSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@H]1C[C@H](NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000533665492 891074544 /nfs/dbraw/zinc/07/45/44/891074544.db2.gz QTHYSLADPKJUDR-YMYKFTITSA-N 2 2 392.632 3.790 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCOC4(CCCC4)C3)CC2)cc1 ZINC000872076396 891141358 /nfs/dbraw/zinc/14/13/58/891141358.db2.gz KUPVBOVHPRBMFG-JOCHJYFZSA-N 2 2 385.552 3.691 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2c[nH]c4c2cccc4F)CC3)n1 ZINC001137056192 891156953 /nfs/dbraw/zinc/15/69/53/891156953.db2.gz MALSWWIAKJEMNA-UHFFFAOYSA-N 2 2 381.499 3.671 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2c[nH]c4c2cccc4F)CC3)n1 ZINC001137056192 891156959 /nfs/dbraw/zinc/15/69/59/891156959.db2.gz MALSWWIAKJEMNA-UHFFFAOYSA-N 2 2 381.499 3.671 20 0 GHADLP C[C@H](c1ncc(Br)cn1)[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156947 891185534 /nfs/dbraw/zinc/18/55/34/891185534.db2.gz MRJKZLXIQXQNLC-CKEIUWERSA-N 2 2 381.362 3.920 20 0 GHADLP C[C@H](c1ncc(Br)cn1)[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156947 891185538 /nfs/dbraw/zinc/18/55/38/891185538.db2.gz MRJKZLXIQXQNLC-CKEIUWERSA-N 2 2 381.362 3.920 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c[nH+]1 ZINC000455552493 891195194 /nfs/dbraw/zinc/19/51/94/891195194.db2.gz BOPBYFAHQMYJHS-HSZRJFAPSA-N 2 2 378.520 3.506 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c[nH+]1 ZINC000455552493 891195197 /nfs/dbraw/zinc/19/51/97/891195197.db2.gz BOPBYFAHQMYJHS-HSZRJFAPSA-N 2 2 378.520 3.506 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000455570737 891251840 /nfs/dbraw/zinc/25/18/40/891251840.db2.gz MKLHDYUIMGDNJR-JTHBVZDNSA-N 2 2 392.547 3.895 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000455570737 891251856 /nfs/dbraw/zinc/25/18/56/891251856.db2.gz MKLHDYUIMGDNJR-JTHBVZDNSA-N 2 2 392.547 3.895 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000248046636 891407109 /nfs/dbraw/zinc/40/71/09/891407109.db2.gz VESMGMUPWXTUHQ-GBXCKJPGSA-N 3 2 378.564 3.678 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000248046636 891407118 /nfs/dbraw/zinc/40/71/18/891407118.db2.gz VESMGMUPWXTUHQ-GBXCKJPGSA-N 3 2 378.564 3.678 20 0 GHADLP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000162030864 892021088 /nfs/dbraw/zinc/02/10/88/892021088.db2.gz NWZDBDCBLQOUSJ-OAQYLSRUSA-N 2 2 390.474 3.917 20 0 GHADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508721215 892970055 /nfs/dbraw/zinc/97/00/55/892970055.db2.gz ULXSDISZBYXZNN-XUZZJYLKSA-N 3 2 388.559 3.974 20 0 GHADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721215 892970065 /nfs/dbraw/zinc/97/00/65/892970065.db2.gz ULXSDISZBYXZNN-XUZZJYLKSA-N 3 2 388.559 3.974 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000288351202 913739514 /nfs/dbraw/zinc/73/95/14/913739514.db2.gz ZIGLQMPSOPLXNJ-RXVVDRJESA-N 2 2 385.556 3.559 20 0 GHADLP CCC[N@H+](Cc1cc(=O)n2ccsc2n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934189284 893453973 /nfs/dbraw/zinc/45/39/73/893453973.db2.gz FFCYZOVARQQBGV-UHFFFAOYSA-N 2 2 396.560 3.633 20 0 GHADLP CCC[N@@H+](Cc1cc(=O)n2ccsc2n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934189284 893453980 /nfs/dbraw/zinc/45/39/80/893453980.db2.gz FFCYZOVARQQBGV-UHFFFAOYSA-N 2 2 396.560 3.633 20 0 GHADLP CSCc1cnc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)s1 ZINC000815127273 893461794 /nfs/dbraw/zinc/46/17/94/893461794.db2.gz NZIUXCHOQBLJOD-UHFFFAOYSA-N 2 2 376.595 3.831 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459468322 893583514 /nfs/dbraw/zinc/58/35/14/893583514.db2.gz BZKMHXUPYHTTNF-UHFFFAOYSA-N 2 2 383.499 3.802 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000444815135 893737292 /nfs/dbraw/zinc/73/72/92/893737292.db2.gz UXPDZVDNSZUJBZ-CXAGYDPISA-N 2 2 393.318 3.712 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000444815135 893737296 /nfs/dbraw/zinc/73/72/96/893737296.db2.gz UXPDZVDNSZUJBZ-CXAGYDPISA-N 2 2 393.318 3.712 20 0 GHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686238630 894014081 /nfs/dbraw/zinc/01/40/81/894014081.db2.gz OQUHQNFVETWAGF-MBSDFSHPSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686238630 894014101 /nfs/dbraw/zinc/01/41/01/894014101.db2.gz OQUHQNFVETWAGF-MBSDFSHPSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cc2c(cc1Br)OCCO2 ZINC000537077282 894301172 /nfs/dbraw/zinc/30/11/72/894301172.db2.gz LUOAQTARKLWHBX-KBPBESRZSA-N 2 2 383.330 3.745 20 0 GHADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cc2c(cc1Br)OCCO2 ZINC000537077282 894301190 /nfs/dbraw/zinc/30/11/90/894301190.db2.gz LUOAQTARKLWHBX-KBPBESRZSA-N 2 2 383.330 3.745 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)CCn2cc[nH+]c2)cc1)C[C@@H]1CCCCO1 ZINC000537119029 894337284 /nfs/dbraw/zinc/33/72/84/894337284.db2.gz QGANNPVPPBJHPV-NRFANRHFSA-N 2 2 384.524 3.691 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)CCn2cc[nH+]c2)cc1)C[C@@H]1CCCCO1 ZINC000537119029 894337287 /nfs/dbraw/zinc/33/72/87/894337287.db2.gz QGANNPVPPBJHPV-NRFANRHFSA-N 2 2 384.524 3.691 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1C1CC1 ZINC000564318352 894858009 /nfs/dbraw/zinc/85/80/09/894858009.db2.gz VVSRFRUNGYVRNY-FXAWDEMLSA-N 2 2 393.531 3.888 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1C1CC1 ZINC000564318352 894858022 /nfs/dbraw/zinc/85/80/22/894858022.db2.gz VVSRFRUNGYVRNY-FXAWDEMLSA-N 2 2 393.531 3.888 20 0 GHADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)n1cc[nH+]c1 ZINC000564801999 895257529 /nfs/dbraw/zinc/25/75/29/895257529.db2.gz JCWNAXCAIMLSQP-AJSBUHFISA-N 2 2 388.515 3.619 20 0 GHADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)n1cc[nH+]c1 ZINC000564801999 895257543 /nfs/dbraw/zinc/25/75/43/895257543.db2.gz JCWNAXCAIMLSQP-AJSBUHFISA-N 2 2 388.515 3.619 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)NCCc3ccccc3)C2)s1 ZINC000565049900 895369724 /nfs/dbraw/zinc/36/97/24/895369724.db2.gz UGDJKKRSIGHQKQ-PZJWPPBQSA-N 2 2 399.604 3.558 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)NCCc3ccccc3)C2)s1 ZINC000565049900 895369753 /nfs/dbraw/zinc/36/97/53/895369753.db2.gz UGDJKKRSIGHQKQ-PZJWPPBQSA-N 2 2 399.604 3.558 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NCCc3ccccc3)C2)s1 ZINC000565049900 895369767 /nfs/dbraw/zinc/36/97/67/895369767.db2.gz UGDJKKRSIGHQKQ-PZJWPPBQSA-N 2 2 399.604 3.558 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NCCc3ccccc3)C2)s1 ZINC000565049900 895369781 /nfs/dbraw/zinc/36/97/81/895369781.db2.gz UGDJKKRSIGHQKQ-PZJWPPBQSA-N 2 2 399.604 3.558 20 0 GHADLP C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000565155012 895429098 /nfs/dbraw/zinc/42/90/98/895429098.db2.gz FFOVHEHETDEKSY-ONGXBYRLSA-N 2 2 394.906 3.706 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(Cl)nc4ccccc34)CC2)CC1 ZINC000817286111 895437505 /nfs/dbraw/zinc/43/75/05/895437505.db2.gz RBWDZTWQMJJREV-UHFFFAOYSA-N 2 2 386.971 3.880 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(Cl)nc4ccccc34)CC2)CC1 ZINC000817286111 895437508 /nfs/dbraw/zinc/43/75/08/895437508.db2.gz RBWDZTWQMJJREV-UHFFFAOYSA-N 2 2 386.971 3.880 20 0 GHADLP O[C@H](c1ccc(F)cc1)C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000817274075 895456822 /nfs/dbraw/zinc/45/68/22/895456822.db2.gz ATPSJEHNGWYXMT-XMMPIXPASA-N 2 2 398.522 3.604 20 0 GHADLP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1nccnc1C ZINC000880108338 895520613 /nfs/dbraw/zinc/52/06/13/895520613.db2.gz UUJFOAOWJHGVSY-HDICACEKSA-N 2 2 376.508 3.585 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC[C@H]3CCc4ccccc43)CC2)CC1 ZINC000880328029 895642620 /nfs/dbraw/zinc/64/26/20/895642620.db2.gz RTJXWYLJNIEWMV-OAQYLSRUSA-N 2 2 383.580 3.515 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC[C@H]3CCc4ccccc43)CC2)CC1 ZINC000880328029 895642625 /nfs/dbraw/zinc/64/26/25/895642625.db2.gz RTJXWYLJNIEWMV-OAQYLSRUSA-N 2 2 383.580 3.515 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(C)c1 ZINC000565734428 895839063 /nfs/dbraw/zinc/83/90/63/895839063.db2.gz AESJYZOSYBIICX-BVSLBCMMSA-N 2 2 395.551 3.509 20 0 GHADLP CCCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1OCC ZINC000565843362 895924049 /nfs/dbraw/zinc/92/40/49/895924049.db2.gz MIRMMCUATKZSNH-HXUWFJFHSA-N 2 2 376.541 3.561 20 0 GHADLP CCCOc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1OCC ZINC000565843362 895924060 /nfs/dbraw/zinc/92/40/60/895924060.db2.gz MIRMMCUATKZSNH-HXUWFJFHSA-N 2 2 376.541 3.561 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)N(C)c3ccccc3)C2)s1 ZINC000566306349 896228513 /nfs/dbraw/zinc/22/85/13/896228513.db2.gz NAPJOZCQRWVAHE-RTBURBONSA-N 2 2 385.577 3.862 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)N(C)c3ccccc3)C2)s1 ZINC000566306349 896228528 /nfs/dbraw/zinc/22/85/28/896228528.db2.gz NAPJOZCQRWVAHE-RTBURBONSA-N 2 2 385.577 3.862 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N(C)c3ccccc3)C2)s1 ZINC000566306349 896228542 /nfs/dbraw/zinc/22/85/42/896228542.db2.gz NAPJOZCQRWVAHE-RTBURBONSA-N 2 2 385.577 3.862 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N(C)c3ccccc3)C2)s1 ZINC000566306349 896228559 /nfs/dbraw/zinc/22/85/59/896228559.db2.gz NAPJOZCQRWVAHE-RTBURBONSA-N 2 2 385.577 3.862 20 0 GHADLP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Br)cc1Cl ZINC000818959262 896297681 /nfs/dbraw/zinc/29/76/81/896297681.db2.gz GXCALWHRQRNPHH-IKGGRYGDSA-N 2 2 387.749 3.526 20 0 GHADLP C[C@](O)(C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Br)cc1Cl ZINC000818959262 896297695 /nfs/dbraw/zinc/29/76/95/896297695.db2.gz GXCALWHRQRNPHH-IKGGRYGDSA-N 2 2 387.749 3.526 20 0 GHADLP Cc1cc(CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc(N2CCCC2)[nH+]1 ZINC000566419513 896300635 /nfs/dbraw/zinc/30/06/35/896300635.db2.gz URAVJUHAIWLXSB-HXUWFJFHSA-N 2 2 386.927 3.563 20 0 GHADLP CC1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC001136249662 896886899 /nfs/dbraw/zinc/88/68/99/896886899.db2.gz ZSLJDMDVYLWGAE-OAQYLSRUSA-N 2 2 397.588 3.696 20 0 GHADLP CC1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC001136249662 896886910 /nfs/dbraw/zinc/88/69/10/896886910.db2.gz ZSLJDMDVYLWGAE-OAQYLSRUSA-N 2 2 397.588 3.696 20 0 GHADLP C[NH+](C)CCc1ccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1 ZINC000567247362 897006218 /nfs/dbraw/zinc/00/62/18/897006218.db2.gz FEAONPQPXJXWJI-UHFFFAOYSA-N 2 2 386.499 3.958 20 0 GHADLP O=C(Cn1cc[nH+]c1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000567462352 897180328 /nfs/dbraw/zinc/18/03/28/897180328.db2.gz MJBYKKZXKDRPPY-QFIPXVFZSA-N 2 2 380.536 3.567 20 0 GHADLP Fc1ccc([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CCOCC2)cc1 ZINC000883174142 897341021 /nfs/dbraw/zinc/34/10/21/897341021.db2.gz CLBPHHYSPGGRBF-DEOSSOPVSA-N 2 2 398.522 3.915 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccnc(N4CCCC4)c3)CC2)cc1 ZINC000131456184 897469196 /nfs/dbraw/zinc/46/91/96/897469196.db2.gz DEWGBSYEDWXYHT-UHFFFAOYSA-N 2 2 379.552 3.506 20 0 GHADLP COc1ccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1NC(C)=O ZINC000883387024 897550959 /nfs/dbraw/zinc/55/09/59/897550959.db2.gz QOWKPVRWIFIZEU-IERDGZPVSA-N 2 2 378.476 3.942 20 0 GHADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001136378207 897551363 /nfs/dbraw/zinc/55/13/63/897551363.db2.gz CDUIFYWXKBHJGY-NYUBLWNDSA-N 2 2 391.987 3.787 20 0 GHADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001136378207 897551378 /nfs/dbraw/zinc/55/13/78/897551378.db2.gz CDUIFYWXKBHJGY-NYUBLWNDSA-N 2 2 391.987 3.787 20 0 GHADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001136378207 897551386 /nfs/dbraw/zinc/55/13/86/897551386.db2.gz CDUIFYWXKBHJGY-NYUBLWNDSA-N 2 2 391.987 3.787 20 0 GHADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001136378207 897551399 /nfs/dbraw/zinc/55/13/99/897551399.db2.gz CDUIFYWXKBHJGY-NYUBLWNDSA-N 2 2 391.987 3.787 20 0 GHADLP COc1ccc([C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)[NH+]2CCCCC2)cc1 ZINC000568185012 897659752 /nfs/dbraw/zinc/65/97/52/897659752.db2.gz PYUJZCKXYWXTHJ-OAQYLSRUSA-N 2 2 392.503 3.608 20 0 GHADLP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc(Br)c1OC ZINC000568330080 897745971 /nfs/dbraw/zinc/74/59/71/897745971.db2.gz TVHTZAQCXNBBRI-BBRMVZONSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc(Br)c1OC ZINC000568330080 897745980 /nfs/dbraw/zinc/74/59/80/897745980.db2.gz TVHTZAQCXNBBRI-BBRMVZONSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc(Br)c1OC ZINC000568330080 897745988 /nfs/dbraw/zinc/74/59/88/897745988.db2.gz TVHTZAQCXNBBRI-BBRMVZONSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc(Br)c1OC ZINC000568330080 897745997 /nfs/dbraw/zinc/74/59/97/897745997.db2.gz TVHTZAQCXNBBRI-BBRMVZONSA-N 2 2 385.346 3.628 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+][C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000778643252 897823069 /nfs/dbraw/zinc/82/30/69/897823069.db2.gz MVFJSJVHZFGEAA-YJBOKZPZSA-N 2 2 397.954 3.930 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000778643252 897823073 /nfs/dbraw/zinc/82/30/73/897823073.db2.gz MVFJSJVHZFGEAA-YJBOKZPZSA-N 2 2 397.954 3.930 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000568433647 897830934 /nfs/dbraw/zinc/83/09/34/897830934.db2.gz UNPWWVPGEKFZIC-CTNGQTDRSA-N 2 2 395.551 3.668 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000568433647 897830942 /nfs/dbraw/zinc/83/09/42/897830942.db2.gz UNPWWVPGEKFZIC-CTNGQTDRSA-N 2 2 395.551 3.668 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000103303371 898082315 /nfs/dbraw/zinc/08/23/15/898082315.db2.gz NWIQKKMDOJUFBF-LJQANCHMSA-N 2 2 395.551 3.662 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000103303371 898082328 /nfs/dbraw/zinc/08/23/28/898082328.db2.gz NWIQKKMDOJUFBF-LJQANCHMSA-N 2 2 395.551 3.662 20 0 GHADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC000823477234 899049558 /nfs/dbraw/zinc/04/95/58/899049558.db2.gz NSHKSLYGEKOPMZ-FQEVSTJZSA-N 2 2 381.520 3.535 20 0 GHADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC000823477234 899049573 /nfs/dbraw/zinc/04/95/73/899049573.db2.gz NSHKSLYGEKOPMZ-FQEVSTJZSA-N 2 2 381.520 3.535 20 0 GHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC000823477234 899049583 /nfs/dbraw/zinc/04/95/83/899049583.db2.gz NSHKSLYGEKOPMZ-FQEVSTJZSA-N 2 2 381.520 3.535 20 0 GHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC000823477234 899049595 /nfs/dbraw/zinc/04/95/95/899049595.db2.gz NSHKSLYGEKOPMZ-FQEVSTJZSA-N 2 2 381.520 3.535 20 0 GHADLP CC[C@H](C)N(Cc1ccccc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000117041350 899346565 /nfs/dbraw/zinc/34/65/65/899346565.db2.gz OJRLHTAVGKPHER-IBGZPJMESA-N 2 2 386.584 3.555 20 0 GHADLP COc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)ccc1Br ZINC001136818803 899371204 /nfs/dbraw/zinc/37/12/04/899371204.db2.gz JLRVNBNYAOUYFX-UHFFFAOYSA-N 2 2 387.237 3.599 20 0 GHADLP Cc1cc(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)ccc1OCC[NH+]1CCCC1 ZINC001136868260 899581774 /nfs/dbraw/zinc/58/17/74/899581774.db2.gz YZQUXEJABMQPNN-HXUWFJFHSA-N 2 2 384.524 3.892 20 0 GHADLP CCCC1CCC([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000825252527 900053211 /nfs/dbraw/zinc/05/32/11/900053211.db2.gz IWOGSHACMSDFLY-UHFFFAOYSA-N 2 2 382.556 3.780 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000825263456 900058086 /nfs/dbraw/zinc/05/80/86/900058086.db2.gz RFJROECUTQYVJG-GJZGRUSLSA-N 2 2 376.526 3.717 20 0 GHADLP CCCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825268770 900063281 /nfs/dbraw/zinc/06/32/81/900063281.db2.gz XSKYWPGVTSYCOF-WIYYLYMNSA-N 2 2 382.556 3.780 20 0 GHADLP CCc1cc2c(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc(=O)oc2cc1O ZINC000134902353 900143571 /nfs/dbraw/zinc/14/35/71/900143571.db2.gz QGTLSCFIPKJORV-UZLBHIALSA-N 2 2 382.504 3.510 20 0 GHADLP CCc1cc2c(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc(=O)oc2cc1O ZINC000134902353 900143577 /nfs/dbraw/zinc/14/35/77/900143577.db2.gz QGTLSCFIPKJORV-UZLBHIALSA-N 2 2 382.504 3.510 20 0 GHADLP CCc1cc2c(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc(=O)oc2cc1O ZINC000134902353 900143587 /nfs/dbraw/zinc/14/35/87/900143587.db2.gz QGTLSCFIPKJORV-UZLBHIALSA-N 2 2 382.504 3.510 20 0 GHADLP CCc1cc2c(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc(=O)oc2cc1O ZINC000134902353 900143600 /nfs/dbraw/zinc/14/36/00/900143600.db2.gz QGTLSCFIPKJORV-UZLBHIALSA-N 2 2 382.504 3.510 20 0 GHADLP CCCN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CC[N@H+](C)C1 ZINC000646326515 914415249 /nfs/dbraw/zinc/41/52/49/914415249.db2.gz KXGTXRLBEQAUCY-SFHVURJKSA-N 2 2 379.508 3.550 20 0 GHADLP CCCN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CC[N@@H+](C)C1 ZINC000646326515 914415256 /nfs/dbraw/zinc/41/52/56/914415256.db2.gz KXGTXRLBEQAUCY-SFHVURJKSA-N 2 2 379.508 3.550 20 0 GHADLP C[NH+]1CCC([N@H+](CC[C@H]2CCOC2)Cc2ccccc2Br)CC1 ZINC000573769621 900630461 /nfs/dbraw/zinc/63/04/61/900630461.db2.gz SIFBNKFUDPWGSR-INIZCTEOSA-N 2 2 381.358 3.772 20 0 GHADLP C[NH+]1CCC([N@@H+](CC[C@H]2CCOC2)Cc2ccccc2Br)CC1 ZINC000573769621 900630466 /nfs/dbraw/zinc/63/04/66/900630466.db2.gz SIFBNKFUDPWGSR-INIZCTEOSA-N 2 2 381.358 3.772 20 0 GHADLP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000885929340 900643932 /nfs/dbraw/zinc/64/39/32/900643932.db2.gz OUPPMKGPJOBQPV-UHFFFAOYSA-N 2 2 386.503 3.976 20 0 GHADLP Cc1c(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cccc1C(F)(F)F ZINC001143924176 900774140 /nfs/dbraw/zinc/77/41/40/900774140.db2.gz OUQDGHBNTZSGOA-HDICACEKSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1c(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cccc1C(F)(F)F ZINC001143924176 900774146 /nfs/dbraw/zinc/77/41/46/900774146.db2.gz OUQDGHBNTZSGOA-HDICACEKSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1c(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cccc1C(F)(F)F ZINC001143924176 900774152 /nfs/dbraw/zinc/77/41/52/900774152.db2.gz OUQDGHBNTZSGOA-HDICACEKSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1c(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cccc1C(F)(F)F ZINC001143924176 900774161 /nfs/dbraw/zinc/77/41/61/900774161.db2.gz OUQDGHBNTZSGOA-HDICACEKSA-N 2 2 375.438 3.973 20 0 GHADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000290020419 914483956 /nfs/dbraw/zinc/48/39/56/914483956.db2.gz RAAZFIYGMKHQST-XZOQPEGZSA-N 2 2 388.515 3.603 20 0 GHADLP CCc1cc(C[NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)cc(CC)c1O ZINC001144144233 901122479 /nfs/dbraw/zinc/12/24/79/901122479.db2.gz ZXJWKSOAOKVWIN-UHFFFAOYSA-N 2 2 396.579 3.881 20 0 GHADLP CCc1cc(C[NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)cc(CC)c1O ZINC001144144233 901122489 /nfs/dbraw/zinc/12/24/89/901122489.db2.gz ZXJWKSOAOKVWIN-UHFFFAOYSA-N 2 2 396.579 3.881 20 0 GHADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000826513754 901393013 /nfs/dbraw/zinc/39/30/13/901393013.db2.gz VEYFHLSTGBYOQG-CZTZKLFOSA-N 2 2 394.567 3.780 20 0 GHADLP COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1OCc1cccnc1 ZINC000092648832 901504308 /nfs/dbraw/zinc/50/43/08/901504308.db2.gz BDASRECXVSFDTN-UHFFFAOYSA-N 2 2 378.476 3.703 20 0 GHADLP CC[N@@H+](Cc1cn(C)nc1-c1ccncc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564722 901554153 /nfs/dbraw/zinc/55/41/53/901554153.db2.gz CBQCZJFZAAMGLR-UHFFFAOYSA-N 2 2 390.535 3.616 20 0 GHADLP CC[N@H+](Cc1cn(C)nc1-c1ccncc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564722 901554164 /nfs/dbraw/zinc/55/41/64/901554164.db2.gz CBQCZJFZAAMGLR-UHFFFAOYSA-N 2 2 390.535 3.616 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[N@@H+]1C ZINC000093644313 901556801 /nfs/dbraw/zinc/55/68/01/901556801.db2.gz YNIRIOBCAAIZAN-XMSQKQJNSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[N@H+]1C ZINC000093644313 901556812 /nfs/dbraw/zinc/55/68/12/901556812.db2.gz YNIRIOBCAAIZAN-XMSQKQJNSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[NH+]1C ZINC000093644313 901556821 /nfs/dbraw/zinc/55/68/21/901556821.db2.gz YNIRIOBCAAIZAN-XMSQKQJNSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[NH+]1C ZINC000093644313 901556832 /nfs/dbraw/zinc/55/68/32/901556832.db2.gz YNIRIOBCAAIZAN-XMSQKQJNSA-N 2 2 375.520 3.849 20 0 GHADLP CC[NH+](CC)CCCC1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000576436779 902021730 /nfs/dbraw/zinc/02/17/30/902021730.db2.gz BOSLDMOMBMSOTG-UHFFFAOYSA-N 2 2 396.579 3.835 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124417503 902066770 /nfs/dbraw/zinc/06/67/70/902066770.db2.gz PQZNEXNSODDDTF-GFCCVEGCSA-N 2 2 388.821 3.904 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124417503 902066784 /nfs/dbraw/zinc/06/67/84/902066784.db2.gz PQZNEXNSODDDTF-GFCCVEGCSA-N 2 2 388.821 3.904 20 0 GHADLP FC(F)(F)c1ncccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001144521594 902301530 /nfs/dbraw/zinc/30/15/30/902301530.db2.gz GAJJSANYINZTIQ-UHFFFAOYSA-N 2 2 395.425 3.560 20 0 GHADLP FC(F)(F)c1ncccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001144521594 902301539 /nfs/dbraw/zinc/30/15/39/902301539.db2.gz GAJJSANYINZTIQ-UHFFFAOYSA-N 2 2 395.425 3.560 20 0 GHADLP Oc1cc(F)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c(F)c1 ZINC001144553433 902368506 /nfs/dbraw/zinc/36/85/06/902368506.db2.gz DALJZFWUCYQNPL-UHFFFAOYSA-N 2 2 388.458 3.537 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000128006163 902591717 /nfs/dbraw/zinc/59/17/17/902591717.db2.gz NKPMXRHNGRHJKF-QUCCMNQESA-N 2 2 399.539 3.719 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000128005945 902591827 /nfs/dbraw/zinc/59/18/27/902591827.db2.gz NKPMXRHNGRHJKF-ICSRJNTNSA-N 2 2 399.539 3.719 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000577219280 902594635 /nfs/dbraw/zinc/59/46/35/902594635.db2.gz YZZNEMKWVSFQFS-VFNWGFHPSA-N 2 2 387.474 3.655 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000577219280 902594644 /nfs/dbraw/zinc/59/46/44/902594644.db2.gz YZZNEMKWVSFQFS-VFNWGFHPSA-N 2 2 387.474 3.655 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263878459 902637212 /nfs/dbraw/zinc/63/72/12/902637212.db2.gz ZUGLKCGZYMJRKE-SFHVURJKSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263878459 902637215 /nfs/dbraw/zinc/63/72/15/902637215.db2.gz ZUGLKCGZYMJRKE-SFHVURJKSA-N 2 2 395.551 3.873 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2c[nH]c3cc(Br)cnc23)C1 ZINC001144706002 902672105 /nfs/dbraw/zinc/67/21/05/902672105.db2.gz YNHRACPVXUAABR-HNNXBMFYSA-N 2 2 387.281 3.682 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2c[nH]c3cc(Br)cnc23)C1 ZINC001144706002 902672110 /nfs/dbraw/zinc/67/21/10/902672110.db2.gz YNHRACPVXUAABR-HNNXBMFYSA-N 2 2 387.281 3.682 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc4scnc4c2)CC3)cn1 ZINC001144738800 902782459 /nfs/dbraw/zinc/78/24/59/902782459.db2.gz YSOASCLYWYDZLG-UHFFFAOYSA-N 2 2 381.549 3.660 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccc4scnc4c2)CC3)cn1 ZINC001144738800 902782468 /nfs/dbraw/zinc/78/24/68/902782468.db2.gz YSOASCLYWYDZLG-UHFFFAOYSA-N 2 2 381.549 3.660 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264760884 903363015 /nfs/dbraw/zinc/36/30/15/903363015.db2.gz UJURXLHZYVWDPT-KRWDZBQOSA-N 2 2 385.512 3.542 20 0 GHADLP Cc1ccc(Nc2cc[nH+]c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C)[nH+]1 ZINC001212834149 903388899 /nfs/dbraw/zinc/38/88/99/903388899.db2.gz NNNIPGNMZPPOTB-UHFFFAOYSA-N 2 2 383.496 3.894 20 0 GHADLP Cc1c[nH+]c(Nc2cc[nH+]c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C)c1 ZINC001212835164 903430662 /nfs/dbraw/zinc/43/06/62/903430662.db2.gz RUTCAMBGYVOGTI-UHFFFAOYSA-N 2 2 383.496 3.894 20 0 GHADLP Cc1cc(C)c(Nc2cc[nH+]c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c[nH+]1 ZINC001212835153 903430929 /nfs/dbraw/zinc/43/09/29/903430929.db2.gz RMOXXYTYEAUJJW-UHFFFAOYSA-N 2 2 383.496 3.894 20 0 GHADLP CC(C)(C)OC(=O)N1CCN(c2cc(Nc3cccn4cc[nH+]c34)cc[nH+]2)CC1 ZINC001212835279 903439930 /nfs/dbraw/zinc/43/99/30/903439930.db2.gz YIFRGVSVCJYMKN-UHFFFAOYSA-N 2 2 394.479 3.530 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C2 ZINC000578035817 903462455 /nfs/dbraw/zinc/46/24/55/903462455.db2.gz UGSDEFOGYNRTKG-KRWDZBQOSA-N 2 2 388.600 3.997 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)CC2 ZINC000578035817 903462462 /nfs/dbraw/zinc/46/24/62/903462462.db2.gz UGSDEFOGYNRTKG-KRWDZBQOSA-N 2 2 388.600 3.997 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000779063715 903751552 /nfs/dbraw/zinc/75/15/52/903751552.db2.gz CUKUZAKHJSDILT-VAMGGRTRSA-N 2 2 396.535 3.581 20 0 GHADLP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ncc(Br)s3)cc2)CC1 ZINC000578530426 903937770 /nfs/dbraw/zinc/93/77/70/903937770.db2.gz BVVCSIUKDRHIIA-UHFFFAOYSA-N 2 2 396.354 3.668 20 0 GHADLP CC(C)c1[nH+]c(CNc2ccc(CC[NH+]3CCOCC3)cc2)c2ccccn21 ZINC000579481630 904639478 /nfs/dbraw/zinc/63/94/78/904639478.db2.gz NBEJXYVNAGGBTF-UHFFFAOYSA-N 2 2 378.520 3.945 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cn2nc(C(=O)OC)c(Cl)c2C)CC1)CC(C)C ZINC000773273224 904646038 /nfs/dbraw/zinc/64/60/38/904646038.db2.gz XMDYBRBIDSQJKY-UHFFFAOYSA-N 2 2 398.979 3.669 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cn2nc(C(=O)OC)c(Cl)c2C)CC1)CC(C)C ZINC000773273224 904646046 /nfs/dbraw/zinc/64/60/46/904646046.db2.gz XMDYBRBIDSQJKY-UHFFFAOYSA-N 2 2 398.979 3.669 20 0 GHADLP Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1)CC[NH2+]CC2 ZINC001171605251 904866532 /nfs/dbraw/zinc/86/65/32/904866532.db2.gz JGUAAULVJQRNMZ-VQIMIIECSA-N 2 2 390.572 3.866 20 0 GHADLP CC[C@@H]1C[C@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171816549 905075660 /nfs/dbraw/zinc/07/56/60/905075660.db2.gz NFJFZAXKSWMTSW-PMOLBWCYSA-N 3 2 398.636 3.546 20 0 GHADLP CC[C@@H]1C[C@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171816549 905075675 /nfs/dbraw/zinc/07/56/75/905075675.db2.gz NFJFZAXKSWMTSW-PMOLBWCYSA-N 3 2 398.636 3.546 20 0 GHADLP O=C(c1ccccc1)N1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001171881100 905153196 /nfs/dbraw/zinc/15/31/96/905153196.db2.gz PGRLMKDIZOBFHN-ZEQRLZLVSA-N 2 2 391.559 3.936 20 0 GHADLP O=C(c1ccccc1)N1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001171881100 905153202 /nfs/dbraw/zinc/15/32/02/905153202.db2.gz PGRLMKDIZOBFHN-ZEQRLZLVSA-N 2 2 391.559 3.936 20 0 GHADLP CC1(C)C[C@@H]([NH+]2CCN(c3nccc(Cl)n3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171988474 905253704 /nfs/dbraw/zinc/25/37/04/905253704.db2.gz RUQJRAFBOWFILX-IBGZPJMESA-N 2 2 399.970 3.695 20 0 GHADLP CC1(C)C[C@@H]([NH+]2CCN(c3nccc(Cl)n3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171988474 905253723 /nfs/dbraw/zinc/25/37/23/905253723.db2.gz RUQJRAFBOWFILX-IBGZPJMESA-N 2 2 399.970 3.695 20 0 GHADLP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CSc4ccccc4C3)CC2)c1 ZINC001172209535 905407681 /nfs/dbraw/zinc/40/76/81/905407681.db2.gz RGNGFMHTUNZADZ-OAQYLSRUSA-N 2 2 396.556 3.744 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCCCC2)CC[C@H]1F ZINC001206173654 905734629 /nfs/dbraw/zinc/73/46/29/905734629.db2.gz JHDCDVIZEPYKFA-IAGOWNOFSA-N 2 2 384.337 3.701 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(Br)cc2N2CCCCC2)CC[C@H]1F ZINC001206173654 905734641 /nfs/dbraw/zinc/73/46/41/905734641.db2.gz JHDCDVIZEPYKFA-IAGOWNOFSA-N 2 2 384.337 3.701 20 0 GHADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001172922021 905993210 /nfs/dbraw/zinc/99/32/10/905993210.db2.gz FJMDWFIGMKEERJ-TZRRMPRUSA-N 2 2 382.548 3.597 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177182347 906058586 /nfs/dbraw/zinc/05/85/86/906058586.db2.gz KRXDGSHDEKVPGR-DLBZAZTESA-N 2 2 398.532 3.534 20 0 GHADLP [NH3+]C[C@@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@@H]1C(F)(F)F ZINC000629657565 906934988 /nfs/dbraw/zinc/93/49/88/906934988.db2.gz ZTVFVOLNHDCNMF-HIFRSBDPSA-N 2 2 375.866 3.899 20 0 GHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@@H]1C(F)(F)F ZINC000629657565 906934993 /nfs/dbraw/zinc/93/49/93/906934993.db2.gz ZTVFVOLNHDCNMF-HIFRSBDPSA-N 2 2 375.866 3.899 20 0 GHADLP C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182387458 907197049 /nfs/dbraw/zinc/19/70/49/907197049.db2.gz ATTJSZNEWMKLNJ-QUCCMNQESA-N 2 2 399.583 3.524 20 0 GHADLP C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182387458 907197056 /nfs/dbraw/zinc/19/70/56/907197056.db2.gz ATTJSZNEWMKLNJ-QUCCMNQESA-N 2 2 399.583 3.524 20 0 GHADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000183806091 907460989 /nfs/dbraw/zinc/46/09/89/907460989.db2.gz JBJJDVUGRLXFGX-ZWKOTPCHSA-N 2 2 397.519 3.510 20 0 GHADLP O=C1Nc2ccccc2S[C@H]1CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001175678257 907688967 /nfs/dbraw/zinc/68/89/67/907688967.db2.gz OAZZWCJUZUFTGW-QUCCMNQESA-N 2 2 378.501 3.717 20 0 GHADLP COc1cccc2c1OCCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000631570476 907760640 /nfs/dbraw/zinc/76/06/40/907760640.db2.gz VFJVYHDSOGKLGD-OAQYLSRUSA-N 2 2 382.504 3.531 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185729798 907826258 /nfs/dbraw/zinc/82/62/58/907826258.db2.gz USKFWOMHOWZTNL-CABCVRRESA-N 2 2 388.537 3.584 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185729798 907826273 /nfs/dbraw/zinc/82/62/73/907826273.db2.gz USKFWOMHOWZTNL-CABCVRRESA-N 2 2 388.537 3.584 20 0 GHADLP C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000186469744 907929325 /nfs/dbraw/zinc/92/93/25/907929325.db2.gz GUHFIDXPHSFKOM-RDJZCZTQSA-N 2 2 387.959 3.878 20 0 GHADLP C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000186469744 907929337 /nfs/dbraw/zinc/92/93/37/907929337.db2.gz GUHFIDXPHSFKOM-RDJZCZTQSA-N 2 2 387.959 3.878 20 0 GHADLP CN(C(=O)c1ccc2cccnc2c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000632101189 907937389 /nfs/dbraw/zinc/93/73/89/907937389.db2.gz RDAZHDZGHFYSLC-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccc2cccnc2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000632101189 907937403 /nfs/dbraw/zinc/93/74/03/907937403.db2.gz RDAZHDZGHFYSLC-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP COCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccc(C)c(C)c1 ZINC001176200523 908008070 /nfs/dbraw/zinc/00/80/70/908008070.db2.gz CRGDAEKBZZKTPL-UHFFFAOYSA-N 2 2 382.548 3.784 20 0 GHADLP COCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccc(C)c(C)c1 ZINC001176200523 908008084 /nfs/dbraw/zinc/00/80/84/908008084.db2.gz CRGDAEKBZZKTPL-UHFFFAOYSA-N 2 2 382.548 3.784 20 0 GHADLP Cn1c[nH+]cc1C1CC[NH+](C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001176978386 908344378 /nfs/dbraw/zinc/34/43/78/908344378.db2.gz SILNRKCTHVPEOJ-QGZVFWFLSA-N 2 2 376.545 3.637 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001176978587 908344642 /nfs/dbraw/zinc/34/46/42/908344642.db2.gz UPKXLMLLCOZYTN-GFCCVEGCSA-N 2 2 381.307 3.934 20 0 GHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Br)sc1Br ZINC001177231558 908474740 /nfs/dbraw/zinc/47/47/40/908474740.db2.gz VHXPTVXDSPENGH-MRVPVSSYSA-N 2 2 379.121 3.648 20 0 GHADLP Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC001177511008 908610149 /nfs/dbraw/zinc/61/01/49/908610149.db2.gz PYRPVSOOSNTRCT-UHFFFAOYSA-N 2 2 386.536 3.886 20 0 GHADLP CCc1noc(C2CCC([NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)n1 ZINC000191832521 908682932 /nfs/dbraw/zinc/68/29/32/908682932.db2.gz OMYZOBHFUBFMAA-XVAXZDLZSA-N 2 2 398.551 3.539 20 0 GHADLP CCc1noc(C2CCC([NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)n1 ZINC000191832521 908682939 /nfs/dbraw/zinc/68/29/39/908682939.db2.gz OMYZOBHFUBFMAA-XVAXZDLZSA-N 2 2 398.551 3.539 20 0 GHADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000266142355 909018245 /nfs/dbraw/zinc/01/82/45/909018245.db2.gz URJASLAMLXWSDU-LLVKDONJSA-N 2 2 377.838 3.760 20 0 GHADLP CC[C@](C)([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC001179339029 909497062 /nfs/dbraw/zinc/49/70/62/909497062.db2.gz RBGWFONVTBJTNH-QHCPKHFHSA-N 2 2 386.511 3.952 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000268732474 909988519 /nfs/dbraw/zinc/98/85/19/909988519.db2.gz AMECAVHNPCIIFC-QGZVFWFLSA-N 2 2 398.532 3.544 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)CC(F)(F)F ZINC001180149414 909989083 /nfs/dbraw/zinc/98/90/83/909989083.db2.gz XKTJTBHQJWWRST-HOTGVXAUSA-N 2 2 393.494 3.782 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)CC(F)(F)F ZINC001180149414 909989091 /nfs/dbraw/zinc/98/90/91/909989091.db2.gz XKTJTBHQJWWRST-HOTGVXAUSA-N 2 2 393.494 3.782 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(N2CCOCC2)c1 ZINC000268781577 910011527 /nfs/dbraw/zinc/01/15/27/910011527.db2.gz UBLKVHRJEORJDQ-IBGZPJMESA-N 2 2 376.504 3.619 20 0 GHADLP Fc1ccc2ccc(C[NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)nc2c1F ZINC000638305293 910109795 /nfs/dbraw/zinc/10/97/95/910109795.db2.gz UROWLHHXIHQMOZ-UHFFFAOYSA-N 2 2 383.442 3.635 20 0 GHADLP COCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638331665 910120585 /nfs/dbraw/zinc/12/05/85/910120585.db2.gz JPKFZHHDMMGGTM-NFBKMPQASA-N 2 2 393.531 3.729 20 0 GHADLP COCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638331665 910120587 /nfs/dbraw/zinc/12/05/87/910120587.db2.gz JPKFZHHDMMGGTM-NFBKMPQASA-N 2 2 393.531 3.729 20 0 GHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000246285181 910216312 /nfs/dbraw/zinc/21/63/12/910216312.db2.gz CQNCEQXNMVGGJU-PZJWPPBQSA-N 2 2 395.551 3.668 20 0 GHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000246285181 910216327 /nfs/dbraw/zinc/21/63/27/910216327.db2.gz CQNCEQXNMVGGJU-PZJWPPBQSA-N 2 2 395.551 3.668 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cc4ccccc4n3C)CC2)cc1 ZINC000639231752 910359663 /nfs/dbraw/zinc/35/96/63/910359663.db2.gz RLZCSBHNJRUDLH-UHFFFAOYSA-N 2 2 390.531 3.891 20 0 GHADLP C[C@@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000639551302 910505759 /nfs/dbraw/zinc/50/57/59/910505759.db2.gz LGUZVCPXPOBEHP-SFHVURJKSA-N 2 2 393.535 3.520 20 0 GHADLP C[C@@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000639551302 910505775 /nfs/dbraw/zinc/50/57/75/910505775.db2.gz LGUZVCPXPOBEHP-SFHVURJKSA-N 2 2 393.535 3.520 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)CC12CCC[NH+]1CCC2)c1ccc(Cl)cc1Cl ZINC001181110783 910541487 /nfs/dbraw/zinc/54/14/87/910541487.db2.gz NZOARBITLSFXDW-QGZVFWFLSA-N 2 2 384.351 3.731 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(F)cc(Br)c3)CC2)CC1 ZINC000270837085 910714870 /nfs/dbraw/zinc/71/48/70/910714870.db2.gz DNCXXZXHWTYXIR-UHFFFAOYSA-N 2 2 398.364 3.579 20 0 GHADLP CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3c(C)c[nH+]c4c(C)cccc43)CC2)n1 ZINC000274129673 911234385 /nfs/dbraw/zinc/23/43/85/911234385.db2.gz DWQWRGRUVIRTRE-QGZVFWFLSA-N 2 2 395.507 3.654 20 0 GHADLP CO[C@H](C)c1noc(C[N@H+]2CCCN(c3c(C)c[nH+]c4c(C)cccc43)CC2)n1 ZINC000274129673 911234392 /nfs/dbraw/zinc/23/43/92/911234392.db2.gz DWQWRGRUVIRTRE-QGZVFWFLSA-N 2 2 395.507 3.654 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H](C(=O)NCc1[nH+]cn2ccccc12)c1ccccc1 ZINC001182243601 911325765 /nfs/dbraw/zinc/32/57/65/911325765.db2.gz HUMJRRMHMOLYQX-HSZRJFAPSA-N 2 2 384.483 3.824 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H](C(=O)NCc1[nH+]cn2ccccc12)c1ccccc1 ZINC001182243601 911325781 /nfs/dbraw/zinc/32/57/81/911325781.db2.gz HUMJRRMHMOLYQX-HSZRJFAPSA-N 2 2 384.483 3.824 20 0 GHADLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C[C@H](O)c1ccccc1Cl)CC2 ZINC000283174329 911398152 /nfs/dbraw/zinc/39/81/52/911398152.db2.gz POJWCOMABYNGKX-ROUUACIJSA-N 2 2 391.968 3.816 20 0 GHADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C[C@H](O)c1ccccc1Cl)CC2 ZINC000283174329 911398158 /nfs/dbraw/zinc/39/81/58/911398158.db2.gz POJWCOMABYNGKX-ROUUACIJSA-N 2 2 391.968 3.816 20 0 GHADLP Cc1[nH+]ccn1CCCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000284079503 911746407 /nfs/dbraw/zinc/74/64/07/911746407.db2.gz RKQPHJZJWOXZKB-UHFFFAOYSA-N 2 2 378.480 3.603 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000248135824 911752268 /nfs/dbraw/zinc/75/22/68/911752268.db2.gz PBASHRJRVZCDHM-SXSPYAJSSA-N 2 2 381.564 3.913 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000248135824 911752288 /nfs/dbraw/zinc/75/22/88/911752288.db2.gz PBASHRJRVZCDHM-SXSPYAJSSA-N 2 2 381.564 3.913 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000642225389 911884877 /nfs/dbraw/zinc/88/48/77/911884877.db2.gz UWBHOYGSZHYXJP-JOCHJYFZSA-N 2 2 376.504 3.555 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cc2n(n1)CCCC2 ZINC000647281804 915133201 /nfs/dbraw/zinc/13/32/01/915133201.db2.gz IMELUUICWAKPQO-QRVBRYPASA-N 2 2 382.552 3.679 20 0 GHADLP Clc1ccc(OC[C@@H]2CCCO2)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647479803 915291456 /nfs/dbraw/zinc/29/14/56/915291456.db2.gz UYTAGNVHGXZIOC-VDGAXYAQSA-N 2 2 378.944 3.862 20 0 GHADLP Clc1ccc(OC[C@@H]2CCCO2)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647479803 915291464 /nfs/dbraw/zinc/29/14/64/915291464.db2.gz UYTAGNVHGXZIOC-VDGAXYAQSA-N 2 2 378.944 3.862 20 0 GHADLP Cc1ncc(-c2ccccc2)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000362449312 917279734 /nfs/dbraw/zinc/27/97/34/917279734.db2.gz KUFXBYHJWUUZDN-UHFFFAOYSA-N 2 2 395.551 3.547 20 0 GHADLP Cc1ncc(-c2ccccc2)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000362449312 917279749 /nfs/dbraw/zinc/27/97/49/917279749.db2.gz KUFXBYHJWUUZDN-UHFFFAOYSA-N 2 2 395.551 3.547 20 0 GHADLP O[C@@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001190367421 917306024 /nfs/dbraw/zinc/30/60/24/917306024.db2.gz ZADSVAJYFQJGPK-GOSISDBHSA-N 2 2 387.351 3.683 20 0 GHADLP O[C@@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)c(F)c1 ZINC000800405560 920037882 /nfs/dbraw/zinc/03/78/82/920037882.db2.gz NNPHYKJVBMBKFU-KXBFYZLASA-N 2 2 377.891 3.925 20 0 GHADLP O[C@@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)c(F)c1 ZINC000800405560 920037897 /nfs/dbraw/zinc/03/78/97/920037897.db2.gz NNPHYKJVBMBKFU-KXBFYZLASA-N 2 2 377.891 3.925 20 0 GHADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@H]3CCO[C@@]34CCOC4)cc2)c[nH+]1 ZINC000903086817 922761366 /nfs/dbraw/zinc/76/13/66/922761366.db2.gz AKYADEBOMANLBG-BJKOFHAPSA-N 2 2 389.499 3.636 20 0 GHADLP COc1ccc2c(c1Cl)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCC2 ZINC000903098671 922770501 /nfs/dbraw/zinc/77/05/01/922770501.db2.gz SEJBBNLXSIBRHX-QAPCUYQASA-N 2 2 378.944 3.817 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)C2 ZINC000368752371 922843058 /nfs/dbraw/zinc/84/30/58/922843058.db2.gz BTKCZRTXOWWKHF-MRXNPFEDSA-N 2 2 384.524 3.607 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)CC2 ZINC000368752371 922843073 /nfs/dbraw/zinc/84/30/73/922843073.db2.gz BTKCZRTXOWWKHF-MRXNPFEDSA-N 2 2 384.524 3.607 20 0 GHADLP c1nnc([C@@H]([NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc2)[nH]1 ZINC000903455221 923036662 /nfs/dbraw/zinc/03/66/62/923036662.db2.gz JTNNUOKDSZRUHR-BJESRGMDSA-N 2 2 387.531 3.784 20 0 GHADLP c1nnc([C@@H]([NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc2)[nH]1 ZINC000903455221 923036678 /nfs/dbraw/zinc/03/66/78/923036678.db2.gz JTNNUOKDSZRUHR-BJESRGMDSA-N 2 2 387.531 3.784 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000748727180 923801632 /nfs/dbraw/zinc/80/16/32/923801632.db2.gz DOBDRKRXWBAWIA-HXUWFJFHSA-N 2 2 392.478 3.540 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000748727180 923801640 /nfs/dbraw/zinc/80/16/40/923801640.db2.gz DOBDRKRXWBAWIA-HXUWFJFHSA-N 2 2 392.478 3.540 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H](CC3CCCC3)c3ccccc3)C2)CC1 ZINC000676925532 924154327 /nfs/dbraw/zinc/15/43/27/924154327.db2.gz YVYXDPICMAJQKK-GGAORHGYSA-N 2 2 398.595 3.776 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H](CC3CCCC3)c3ccccc3)C2)CC1 ZINC000676925532 924154329 /nfs/dbraw/zinc/15/43/29/924154329.db2.gz YVYXDPICMAJQKK-GGAORHGYSA-N 2 2 398.595 3.776 20 0 GHADLP Cc1cccc2nc(C[NH+]3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)cn21 ZINC001137299260 924382825 /nfs/dbraw/zinc/38/28/25/924382825.db2.gz GADOXZAUJJZORO-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2nc(C[NH+]3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)cn21 ZINC001137299260 924382831 /nfs/dbraw/zinc/38/28/31/924382831.db2.gz GADOXZAUJJZORO-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)cn21 ZINC001137299260 924382836 /nfs/dbraw/zinc/38/28/36/924382836.db2.gz GADOXZAUJJZORO-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)cn21 ZINC001137299260 924382850 /nfs/dbraw/zinc/38/28/50/924382850.db2.gz GADOXZAUJJZORO-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3coc(-c4cccc(Cl)c4)n3)C2)CC1 ZINC000371106087 924429731 /nfs/dbraw/zinc/42/97/31/924429731.db2.gz CTVJPMUVQYOBRL-FQEVSTJZSA-N 2 2 388.943 3.595 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)o1 ZINC000677715998 924464758 /nfs/dbraw/zinc/46/47/58/924464758.db2.gz HTVCVSZOASEQPZ-ICSRJNTNSA-N 2 2 389.927 3.950 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)o1 ZINC000677715998 924464765 /nfs/dbraw/zinc/46/47/65/924464765.db2.gz HTVCVSZOASEQPZ-ICSRJNTNSA-N 2 2 389.927 3.950 20 0 GHADLP CC[N@H+](CCCC1CC[NH+]([C@@H](C)c2nc(C)no2)CC1)[C@@H](C)c1nc(C)no1 ZINC000677992590 924572494 /nfs/dbraw/zinc/57/24/94/924572494.db2.gz MAVHCFYOYQZOIT-GJZGRUSLSA-N 2 2 390.532 3.706 20 0 GHADLP CC[N@@H+](CCCC1CC[NH+]([C@@H](C)c2nc(C)no2)CC1)[C@@H](C)c1nc(C)no1 ZINC000677992590 924572503 /nfs/dbraw/zinc/57/25/03/924572503.db2.gz MAVHCFYOYQZOIT-GJZGRUSLSA-N 2 2 390.532 3.706 20 0 GHADLP Fc1ccc([C@@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCO2)cc1 ZINC000678145077 924632640 /nfs/dbraw/zinc/63/26/40/924632640.db2.gz CYVDWLKFGUTRDI-QHCPKHFHSA-N 2 2 384.495 3.874 20 0 GHADLP Fc1ccc([C@@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCO2)cc1 ZINC000678145077 924632644 /nfs/dbraw/zinc/63/26/44/924632644.db2.gz CYVDWLKFGUTRDI-QHCPKHFHSA-N 2 2 384.495 3.874 20 0 GHADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000678767871 924915583 /nfs/dbraw/zinc/91/55/83/924915583.db2.gz ROJQXGHPSQXUBH-NTKDMRAZSA-N 2 2 380.532 3.811 20 0 GHADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000678794270 924925524 /nfs/dbraw/zinc/92/55/24/924925524.db2.gz FTEJZTBFANXNMY-DVECYGJZSA-N 2 2 375.516 3.892 20 0 GHADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000678794270 924925532 /nfs/dbraw/zinc/92/55/32/924925532.db2.gz FTEJZTBFANXNMY-DVECYGJZSA-N 2 2 375.516 3.892 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc2c(ccc3ccccc23)o1 ZINC000678926919 924975816 /nfs/dbraw/zinc/97/58/16/924975816.db2.gz DBCPSJANDRFWCY-QUCCMNQESA-N 2 2 393.531 3.643 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000679425985 925137013 /nfs/dbraw/zinc/13/70/13/925137013.db2.gz CHWJOMPCIMVGDT-QFIPXVFZSA-N 2 2 393.535 3.848 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000679425985 925137018 /nfs/dbraw/zinc/13/70/18/925137018.db2.gz CHWJOMPCIMVGDT-QFIPXVFZSA-N 2 2 393.535 3.848 20 0 GHADLP CC(C)([C@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000680343532 925449606 /nfs/dbraw/zinc/44/96/06/925449606.db2.gz WZNXCXOVXMCTAP-HXUWFJFHSA-N 2 2 390.478 3.673 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000681987426 925974075 /nfs/dbraw/zinc/97/40/75/925974075.db2.gz FRLNQLFOPXQTEK-LJQANCHMSA-N 2 2 383.502 3.903 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)C[N@H+]1Cc1ccccc1 ZINC000681987426 925974081 /nfs/dbraw/zinc/97/40/81/925974081.db2.gz FRLNQLFOPXQTEK-LJQANCHMSA-N 2 2 383.502 3.903 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@@H]1C ZINC000373482805 926178229 /nfs/dbraw/zinc/17/82/29/926178229.db2.gz IDPIJGZPVWLIHA-OPPNBMJSSA-N 2 2 390.490 3.749 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000373550901 926241514 /nfs/dbraw/zinc/24/15/14/926241514.db2.gz XVOJTIRAQBGLCV-GBXCKJPGSA-N 2 2 378.564 3.798 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000373550901 926241530 /nfs/dbraw/zinc/24/15/30/926241530.db2.gz XVOJTIRAQBGLCV-GBXCKJPGSA-N 2 2 378.564 3.798 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ncco3)cc2F)[C@@H](C)C1 ZINC000411549400 926512327 /nfs/dbraw/zinc/51/23/27/926512327.db2.gz GPBPKPCQVVMFFM-OXJNMPFZSA-N 2 2 375.488 3.707 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ncco3)cc2F)[C@@H](C)C1 ZINC000411549400 926512335 /nfs/dbraw/zinc/51/23/35/926512335.db2.gz GPBPKPCQVVMFFM-OXJNMPFZSA-N 2 2 375.488 3.707 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CCCC[C@@H]3C(C)(C)C)CC2)CC1 ZINC000726241358 926606560 /nfs/dbraw/zinc/60/65/60/926606560.db2.gz FLDQCDXHNTWUNR-RXVVDRJESA-N 2 2 392.632 3.697 20 0 GHADLP CN(Cc1ccc(F)cc1)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000411689930 926652370 /nfs/dbraw/zinc/65/23/70/926652370.db2.gz LDWJVQCDRSUFJZ-JOCHJYFZSA-N 2 2 397.538 3.674 20 0 GHADLP CN(Cc1ccc(F)cc1)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000411689930 926652378 /nfs/dbraw/zinc/65/23/78/926652378.db2.gz LDWJVQCDRSUFJZ-JOCHJYFZSA-N 2 2 397.538 3.674 20 0 GHADLP Fc1cccc([C@@H]2C[C@H]2[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000411723583 926692153 /nfs/dbraw/zinc/69/21/53/926692153.db2.gz XAZNAUTXPGDXPG-KMDXXIMOSA-N 2 2 379.523 3.574 20 0 GHADLP Fc1cccc([C@@H]2C[C@H]2[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000411723583 926692160 /nfs/dbraw/zinc/69/21/60/926692160.db2.gz XAZNAUTXPGDXPG-KMDXXIMOSA-N 2 2 379.523 3.574 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(Cc4ccccc4)c3)CC2)CC1 ZINC000411766343 926734672 /nfs/dbraw/zinc/73/46/72/926734672.db2.gz JLDNKRQFZFVVEU-UHFFFAOYSA-N 2 2 391.559 3.566 20 0 GHADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)c2)[nH+]c1C ZINC000749579034 927198979 /nfs/dbraw/zinc/19/89/79/927198979.db2.gz GPHRJGBSUDXFDF-FQEVSTJZSA-N 2 2 389.503 3.939 20 0 GHADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)c2)[nH+]c1C ZINC000749579034 927198988 /nfs/dbraw/zinc/19/89/88/927198988.db2.gz GPHRJGBSUDXFDF-FQEVSTJZSA-N 2 2 389.503 3.939 20 0 GHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000375417286 928281338 /nfs/dbraw/zinc/28/13/38/928281338.db2.gz UDICCWNUACJELQ-GOSISDBHSA-N 2 2 396.453 3.697 20 0 GHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000375417286 928281349 /nfs/dbraw/zinc/28/13/49/928281349.db2.gz UDICCWNUACJELQ-GOSISDBHSA-N 2 2 396.453 3.697 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000467137491 928743968 /nfs/dbraw/zinc/74/39/68/928743968.db2.gz LCBHRYFCKUERFR-UHFFFAOYSA-N 2 2 386.805 3.900 20 0 GHADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000544259698 928989799 /nfs/dbraw/zinc/98/97/99/928989799.db2.gz NHHDICLXLKZQDC-GCJKJVERSA-N 2 2 392.547 3.796 20 0 GHADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000544259698 928989813 /nfs/dbraw/zinc/98/98/13/928989813.db2.gz NHHDICLXLKZQDC-GCJKJVERSA-N 2 2 392.547 3.796 20 0 GHADLP CCS(=O)(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000467415797 929046704 /nfs/dbraw/zinc/04/67/04/929046704.db2.gz ZONDDTUNWONBJQ-FRIKZZABSA-N 2 2 398.572 3.765 20 0 GHADLP CCS(=O)(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000467415797 929046716 /nfs/dbraw/zinc/04/67/16/929046716.db2.gz ZONDDTUNWONBJQ-FRIKZZABSA-N 2 2 398.572 3.765 20 0 GHADLP Cc1ccc([C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C2CCCC2)o1 ZINC000544579518 929304893 /nfs/dbraw/zinc/30/48/93/929304893.db2.gz UUUZTNQZBJRBSB-QHCPKHFHSA-N 2 2 395.547 3.997 20 0 GHADLP C[C@@H]1CC[N@H+](Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C[C@@H]1n1cc[nH+]c1 ZINC000759158485 930293889 /nfs/dbraw/zinc/29/38/89/930293889.db2.gz LQOPTAUXKVEGEX-IERDGZPVSA-N 2 2 397.482 3.985 20 0 GHADLP C[C@@H]1CC[N@@H+](Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C[C@@H]1n1cc[nH+]c1 ZINC000759158485 930293893 /nfs/dbraw/zinc/29/38/93/930293893.db2.gz LQOPTAUXKVEGEX-IERDGZPVSA-N 2 2 397.482 3.985 20 0 GHADLP O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc2c(c1)C[NH2+]C2 ZINC000470366140 930564783 /nfs/dbraw/zinc/56/47/83/930564783.db2.gz VKFBYNAKGFGIFV-UHFFFAOYSA-N 2 2 390.512 3.557 20 0 GHADLP O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc2c(c1)C[NH2+]C2 ZINC000470366140 930564787 /nfs/dbraw/zinc/56/47/87/930564787.db2.gz VKFBYNAKGFGIFV-UHFFFAOYSA-N 2 2 390.512 3.557 20 0 GHADLP COc1ccc([C@H](CNc2cc[nH+]cc2Br)[NH+]2CCCC2)cc1 ZINC000547501407 931074744 /nfs/dbraw/zinc/07/47/44/931074744.db2.gz LABGMDIVFLVKNF-SFHVURJKSA-N 2 2 376.298 3.524 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000547509425 931080409 /nfs/dbraw/zinc/08/04/09/931080409.db2.gz VFJRKAPWWNAWHE-JRGCBEDISA-N 2 2 397.950 3.946 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000547509425 931080419 /nfs/dbraw/zinc/08/04/19/931080419.db2.gz VFJRKAPWWNAWHE-JRGCBEDISA-N 2 2 397.950 3.946 20 0 GHADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000777497597 931244337 /nfs/dbraw/zinc/24/43/37/931244337.db2.gz XNRYMSIKPIUTJM-QZTJIDSGSA-N 2 2 381.923 3.603 20 0 GHADLP CC(C)[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000777497597 931244346 /nfs/dbraw/zinc/24/43/46/931244346.db2.gz XNRYMSIKPIUTJM-QZTJIDSGSA-N 2 2 381.923 3.603 20 0 GHADLP c1ccc([C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C2CCOCC2)cc1 ZINC000782756065 931325931 /nfs/dbraw/zinc/32/59/31/931325931.db2.gz GGQPGYFHKOFWLJ-RUZDIDTESA-N 2 2 393.575 3.956 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000783031930 931390749 /nfs/dbraw/zinc/39/07/49/931390749.db2.gz MMZIMUTYXVFLPB-IBGZPJMESA-N 2 2 376.545 3.632 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1 ZINC000557456764 931441930 /nfs/dbraw/zinc/44/19/30/931441930.db2.gz GIDPKDLVVNETDS-GMAHTHKFSA-N 2 2 391.515 3.920 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1 ZINC000557456764 931441937 /nfs/dbraw/zinc/44/19/37/931441937.db2.gz GIDPKDLVVNETDS-GMAHTHKFSA-N 2 2 391.515 3.920 20 0 GHADLP CC(C)[C@H](C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)N1CC[NH+](C)CC1 ZINC000924630517 931455449 /nfs/dbraw/zinc/45/54/49/931455449.db2.gz FUCWORYWBSJMTJ-FCHUYYIVSA-N 2 2 386.971 3.686 20 0 GHADLP C[NH+]1CCN(CCCC[NH2+][C@@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924657537 931465420 /nfs/dbraw/zinc/46/54/20/931465420.db2.gz HCOYMHYDMKNODS-HSZRJFAPSA-N 2 2 378.520 3.534 20 0 GHADLP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CCCc3c(Cl)ccnc32)c2ccccc2)CC1 ZINC000924928017 931587829 /nfs/dbraw/zinc/58/78/29/931587829.db2.gz NTCRAPWBJOWVBN-NHCUHLMSSA-N 2 2 384.955 3.691 20 0 GHADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000924940162 931591242 /nfs/dbraw/zinc/59/12/42/931591242.db2.gz ATAPLOXRURLJEN-XMSQKQJNSA-N 2 2 388.515 3.745 20 0 GHADLP Brc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)c2cccnc2)cc1 ZINC000925814981 931912793 /nfs/dbraw/zinc/91/27/93/931912793.db2.gz RQYICEBWAJPZJP-PKOBYXMFSA-N 2 2 383.293 3.735 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N[C@@H](C)c3ccccc3)C2)s1 ZINC000558397909 931978176 /nfs/dbraw/zinc/97/81/76/931978176.db2.gz UITSLQMGTVMUKF-RBUKOAKNSA-N 2 2 385.577 3.688 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N[C@@H](C)c3ccccc3)C2)s1 ZINC000558397909 931978183 /nfs/dbraw/zinc/97/81/83/931978183.db2.gz UITSLQMGTVMUKF-RBUKOAKNSA-N 2 2 385.577 3.688 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@@H](C)c3ccccc3)C2)s1 ZINC000558397909 931978190 /nfs/dbraw/zinc/97/81/90/931978190.db2.gz UITSLQMGTVMUKF-RBUKOAKNSA-N 2 2 385.577 3.688 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@@H](C)c3ccccc3)C2)s1 ZINC000558397909 931978193 /nfs/dbraw/zinc/97/81/93/931978193.db2.gz UITSLQMGTVMUKF-RBUKOAKNSA-N 2 2 385.577 3.688 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N[C@H](C)c3ccccc3)C2)s1 ZINC000558397723 931978902 /nfs/dbraw/zinc/97/89/02/931978902.db2.gz UITSLQMGTVMUKF-MOPGFXCFSA-N 2 2 385.577 3.688 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N[C@H](C)c3ccccc3)C2)s1 ZINC000558397723 931978907 /nfs/dbraw/zinc/97/89/07/931978907.db2.gz UITSLQMGTVMUKF-MOPGFXCFSA-N 2 2 385.577 3.688 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N[C@H](C)c3ccccc3)C2)s1 ZINC000558397723 931978913 /nfs/dbraw/zinc/97/89/13/931978913.db2.gz UITSLQMGTVMUKF-MOPGFXCFSA-N 2 2 385.577 3.688 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N[C@H](C)c3ccccc3)C2)s1 ZINC000558397723 931978919 /nfs/dbraw/zinc/97/89/19/931978919.db2.gz UITSLQMGTVMUKF-MOPGFXCFSA-N 2 2 385.577 3.688 20 0 GHADLP C[NH+](CCC[N@@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccco1 ZINC000796671377 932024524 /nfs/dbraw/zinc/02/45/24/932024524.db2.gz ISZXIULMEGCMTP-UHFFFAOYSA-N 2 2 379.545 3.680 20 0 GHADLP C[NH+](CCC[N@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccco1 ZINC000796671377 932024533 /nfs/dbraw/zinc/02/45/33/932024533.db2.gz ISZXIULMEGCMTP-UHFFFAOYSA-N 2 2 379.545 3.680 20 0 GHADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000796671377 932024546 /nfs/dbraw/zinc/02/45/46/932024546.db2.gz ISZXIULMEGCMTP-UHFFFAOYSA-N 2 2 379.545 3.680 20 0 GHADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000796671377 932024557 /nfs/dbraw/zinc/02/45/57/932024557.db2.gz ISZXIULMEGCMTP-UHFFFAOYSA-N 2 2 379.545 3.680 20 0 GHADLP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796964984 932127427 /nfs/dbraw/zinc/12/74/27/932127427.db2.gz LUXXYJMCDYCRQZ-MRXNPFEDSA-N 2 2 376.545 3.623 20 0 GHADLP Cc1cc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc(Cl)n1 ZINC000797595924 932338776 /nfs/dbraw/zinc/33/87/76/932338776.db2.gz IXABJDMGORJUHC-UHFFFAOYSA-N 2 2 386.971 3.731 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000926925666 932350975 /nfs/dbraw/zinc/35/09/75/932350975.db2.gz DPJQINKGHFYSOU-QAPCUYQASA-N 2 2 378.442 3.897 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000926925666 932350982 /nfs/dbraw/zinc/35/09/82/932350982.db2.gz DPJQINKGHFYSOU-QAPCUYQASA-N 2 2 378.442 3.897 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4nc5c(s4)COCC5)[C@H]3C2)cc1 ZINC000927122993 932422128 /nfs/dbraw/zinc/42/21/28/932422128.db2.gz YZXMKSUGPNZHAR-FHWLQOOXSA-N 2 2 383.561 3.606 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4nc5c(s4)COCC5)[C@H]3C2)cc1 ZINC000927122993 932422131 /nfs/dbraw/zinc/42/21/31/932422131.db2.gz YZXMKSUGPNZHAR-FHWLQOOXSA-N 2 2 383.561 3.606 20 0 GHADLP C[N@H+](CCC[NH2+]Cc1c(Cl)cccc1N1CCOCC1)Cc1ccccc1 ZINC000559235138 932538863 /nfs/dbraw/zinc/53/88/63/932538863.db2.gz RWBZIGJQSGTWOV-UHFFFAOYSA-N 2 2 387.955 3.788 20 0 GHADLP C[N@@H+](CCC[NH2+]Cc1c(Cl)cccc1N1CCOCC1)Cc1ccccc1 ZINC000559235138 932538867 /nfs/dbraw/zinc/53/88/67/932538867.db2.gz RWBZIGJQSGTWOV-UHFFFAOYSA-N 2 2 387.955 3.788 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC(OCC4CCCC4)CC3)C2)cc1 ZINC000560159340 933100476 /nfs/dbraw/zinc/10/04/76/933100476.db2.gz IGSLBWMQACDLMC-XMMPIXPASA-N 2 2 386.580 3.949 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC(OCC4CCCC4)CC3)C2)cc1 ZINC000560159340 933100489 /nfs/dbraw/zinc/10/04/89/933100489.db2.gz IGSLBWMQACDLMC-XMMPIXPASA-N 2 2 386.580 3.949 20 0 GHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000560243659 933151835 /nfs/dbraw/zinc/15/18/35/933151835.db2.gz DJWSPGVQFHAJRA-JCXROGDPSA-N 2 2 380.536 3.835 20 0 GHADLP CC(C)(C)n1ncnc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000560535676 933320289 /nfs/dbraw/zinc/32/02/89/933320289.db2.gz IATKCMKMZHCHJZ-QHAWAJNXSA-N 2 2 381.568 3.814 20 0 GHADLP CC(C)(C)n1ncnc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000560535676 933320304 /nfs/dbraw/zinc/32/03/04/933320304.db2.gz IATKCMKMZHCHJZ-QHAWAJNXSA-N 2 2 381.568 3.814 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCCOc1ccc2c(c1)CCC2 ZINC001116289855 933460206 /nfs/dbraw/zinc/46/02/06/933460206.db2.gz YKTUUUMCWVFADO-UHFFFAOYSA-N 2 2 376.460 3.862 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H](C)n2cc[nH+]c2)cc1)C[C@@H]1CCCCO1 ZINC001116469035 933576666 /nfs/dbraw/zinc/57/66/66/933576666.db2.gz QNAAFRNFVWUWSH-RXVVDRJESA-N 2 2 384.524 3.862 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@H](C)n2cc[nH+]c2)cc1)C[C@@H]1CCCCO1 ZINC001116469035 933576674 /nfs/dbraw/zinc/57/66/74/933576674.db2.gz QNAAFRNFVWUWSH-RXVVDRJESA-N 2 2 384.524 3.862 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1CC[C@@H](c2ccccc2)C1=O ZINC001116488890 933587684 /nfs/dbraw/zinc/58/76/84/933587684.db2.gz HNXTTYDAVHBEQS-QFIPXVFZSA-N 2 2 392.547 3.594 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1CC[C@@H](c2ccccc2)C1=O ZINC001116488890 933587688 /nfs/dbraw/zinc/58/76/88/933587688.db2.gz HNXTTYDAVHBEQS-QFIPXVFZSA-N 2 2 392.547 3.594 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000930556552 934101271 /nfs/dbraw/zinc/10/12/71/934101271.db2.gz XQCUVPYVZSUZNR-KRWDZBQOSA-N 2 2 379.508 3.596 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000930556552 934101272 /nfs/dbraw/zinc/10/12/72/934101272.db2.gz XQCUVPYVZSUZNR-KRWDZBQOSA-N 2 2 379.508 3.596 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc(-c4ccccc4)c[nH]3)C2)ccn1 ZINC001118942989 934289467 /nfs/dbraw/zinc/28/94/67/934289467.db2.gz WPHQBASNAJYAOV-NRFANRHFSA-N 2 2 391.519 3.577 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc(-c4ccccc4)c[nH]3)C2)ccn1 ZINC001118942989 934289476 /nfs/dbraw/zinc/28/94/76/934289476.db2.gz WPHQBASNAJYAOV-NRFANRHFSA-N 2 2 391.519 3.577 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3nc(-c4ccccc4)c[nH]3)C2)ccn1 ZINC001118942989 934289480 /nfs/dbraw/zinc/28/94/80/934289480.db2.gz WPHQBASNAJYAOV-NRFANRHFSA-N 2 2 391.519 3.577 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3nc(-c4ccccc4)c[nH]3)C2)ccn1 ZINC001118942989 934289491 /nfs/dbraw/zinc/28/94/91/934289491.db2.gz WPHQBASNAJYAOV-NRFANRHFSA-N 2 2 391.519 3.577 20 0 GHADLP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000829588376 935831460 /nfs/dbraw/zinc/83/14/60/935831460.db2.gz HXYLWLKVLGXFPA-NRFANRHFSA-N 2 2 382.552 3.758 20 0 GHADLP C[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001575510681 949124314 /nfs/dbraw/zinc/12/43/14/949124314.db2.gz GZYHJIHGZLSQOA-CRAIPNDOSA-N 2 2 379.512 3.759 20 0 GHADLP C[C@H](c1cccc(-c2nn[nH]n2)c1)[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001575510681 949124318 /nfs/dbraw/zinc/12/43/18/949124318.db2.gz GZYHJIHGZLSQOA-CRAIPNDOSA-N 2 2 379.512 3.759 20 0 GHADLP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(C)cc1I ZINC001205703124 1033537818 /nfs/dbraw/zinc/53/78/18/1033537818.db2.gz WOTFKPJVSGWHFA-QAPCUYQASA-N 2 2 398.332 3.824 20 0 GHADLP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(C)cc1I ZINC001205703124 1033537828 /nfs/dbraw/zinc/53/78/28/1033537828.db2.gz WOTFKPJVSGWHFA-QAPCUYQASA-N 2 2 398.332 3.824 20 0 GHADLP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(C)cc1I ZINC001205703124 1033537844 /nfs/dbraw/zinc/53/78/44/1033537844.db2.gz WOTFKPJVSGWHFA-QAPCUYQASA-N 2 2 398.332 3.824 20 0 GHADLP CCCC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220768938 1032108920 /nfs/dbraw/zinc/10/89/20/1032108920.db2.gz FICCZIVFTOXGDJ-FPOVZHCZSA-N 2 2 378.520 3.658 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)c2ccc(F)cc2Cl)CC1 ZINC000545205640 1015652394 /nfs/dbraw/zinc/65/23/94/1015652394.db2.gz DVAFZBFQZBAOBE-UHFFFAOYSA-N 2 2 384.923 3.764 20 0 GHADLP CCC[NH+]1CCC([N@H+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)CC1 ZINC000468393603 1015660620 /nfs/dbraw/zinc/66/06/20/1015660620.db2.gz QVUGQHNRGKMHBT-UHFFFAOYSA-N 2 2 384.568 3.863 20 0 GHADLP CCC[NH+]1CCC([N@@H+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)CC1 ZINC000468393603 1015660628 /nfs/dbraw/zinc/66/06/28/1015660628.db2.gz QVUGQHNRGKMHBT-UHFFFAOYSA-N 2 2 384.568 3.863 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000468853520 1016115601 /nfs/dbraw/zinc/11/56/01/1016115601.db2.gz DYWQPJCCKCKPLK-HUUCEWRRSA-N 2 2 398.378 3.947 20 0 GHADLP Cc1cc(C)cc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2cccnc2)c1 ZINC000925092381 1017037204 /nfs/dbraw/zinc/03/72/04/1017037204.db2.gz AUGNIQKCRPCURH-YKSBVNFPSA-N 2 2 379.548 3.878 20 0 GHADLP Cc1cc(C)cc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2cccnc2)c1 ZINC000925092379 1017037462 /nfs/dbraw/zinc/03/74/62/1017037462.db2.gz AUGNIQKCRPCURH-RDPSFJRHSA-N 2 2 379.548 3.878 20 0 GHADLP C[NH+](C)CCCOc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)cc1 ZINC001204272023 1032715012 /nfs/dbraw/zinc/71/50/12/1032715012.db2.gz HKEQCIPOPZBQBK-NRFANRHFSA-N 2 2 395.538 3.713 20 0 GHADLP C[NH+]1CCC(CNc2nccc(Oc3ccccc3)n2)([NH+]2CCCCC2)CC1 ZINC000562413076 1018151533 /nfs/dbraw/zinc/15/15/33/1018151533.db2.gz OWOVDPPFHNUVJU-UHFFFAOYSA-N 2 2 381.524 3.631 20 0 GHADLP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000562768117 1018617158 /nfs/dbraw/zinc/61/71/58/1018617158.db2.gz FODHMIWVETXIHN-FCHUYYIVSA-N 2 2 387.487 3.579 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(-c4ccccc4Cl)on3)C2)CC1 ZINC000562821561 1018680253 /nfs/dbraw/zinc/68/02/53/1018680253.db2.gz SEYMTZARUJMTNM-GOSISDBHSA-N 2 2 388.943 3.595 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4Cl)on3)C2)CC1 ZINC000562821561 1018680257 /nfs/dbraw/zinc/68/02/57/1018680257.db2.gz SEYMTZARUJMTNM-GOSISDBHSA-N 2 2 388.943 3.595 20 0 GHADLP FC(F)(F)Oc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204414533 1032843009 /nfs/dbraw/zinc/84/30/09/1032843009.db2.gz PIWLVGBXDWARCF-IRXDYDNUSA-N 2 2 377.410 3.544 20 0 GHADLP CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000574628293 1019895347 /nfs/dbraw/zinc/89/53/47/1019895347.db2.gz MJNSUOMTAQSDLF-QGZVFWFLSA-N 2 2 396.535 3.825 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)C2)s1 ZINC000577304840 1020163464 /nfs/dbraw/zinc/16/34/64/1020163464.db2.gz MGKBCCPPXUDSPX-XLBJILASSA-N 2 2 391.625 3.751 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)C2)s1 ZINC000577304840 1020163469 /nfs/dbraw/zinc/16/34/69/1020163469.db2.gz MGKBCCPPXUDSPX-XLBJILASSA-N 2 2 391.625 3.751 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)C2)s1 ZINC000577304840 1020163475 /nfs/dbraw/zinc/16/34/75/1020163475.db2.gz MGKBCCPPXUDSPX-XLBJILASSA-N 2 2 391.625 3.751 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)C2)s1 ZINC000577304840 1020163489 /nfs/dbraw/zinc/16/34/89/1020163489.db2.gz MGKBCCPPXUDSPX-XLBJILASSA-N 2 2 391.625 3.751 20 0 GHADLP Fc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(C(F)(F)F)c1 ZINC001204481541 1032916916 /nfs/dbraw/zinc/91/69/16/1032916916.db2.gz RHRDVZWDUUHSKG-UHFFFAOYSA-N 2 2 396.432 3.695 20 0 GHADLP Fc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(C(F)(F)F)c1 ZINC001204481541 1032916920 /nfs/dbraw/zinc/91/69/20/1032916920.db2.gz RHRDVZWDUUHSKG-UHFFFAOYSA-N 2 2 396.432 3.695 20 0 GHADLP c1csc([C@H]([NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2nnc[nH]2)c1 ZINC000903455017 1021603140 /nfs/dbraw/zinc/60/31/40/1021603140.db2.gz HBZFRXMDJGFMAK-JTJHWIPRSA-N 2 2 393.560 3.846 20 0 GHADLP c1csc([C@H]([NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2nnc[nH]2)c1 ZINC000903455017 1021603154 /nfs/dbraw/zinc/60/31/54/1021603154.db2.gz HBZFRXMDJGFMAK-JTJHWIPRSA-N 2 2 393.560 3.846 20 0 GHADLP CCc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000834885598 1021611629 /nfs/dbraw/zinc/61/16/29/1021611629.db2.gz BWWMSVBWOBRHHN-HNNXBMFYSA-N 2 2 384.524 3.819 20 0 GHADLP CN(C(=O)Cc1cc2ccccc2o1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677289837 1021812865 /nfs/dbraw/zinc/81/28/65/1021812865.db2.gz FHGDMFLYDPFRGK-YADHBBJMSA-N 2 2 397.563 3.771 20 0 GHADLP CN(C(=O)Cc1cc2ccccc2o1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677289837 1021812890 /nfs/dbraw/zinc/81/28/90/1021812890.db2.gz FHGDMFLYDPFRGK-YADHBBJMSA-N 2 2 397.563 3.771 20 0 GHADLP COc1cc2c[nH+]c(NCc3ccc(C[NH+]4CCOCC4)cc3)cc2cc1OC ZINC001156393862 1033014880 /nfs/dbraw/zinc/01/48/80/1033014880.db2.gz CIPZCEHNBRQHAG-UHFFFAOYSA-N 2 2 393.487 3.696 20 0 GHADLP FC(F)Oc1c(Br)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000679025643 1021953749 /nfs/dbraw/zinc/95/37/49/1021953749.db2.gz OWLAYIARSAUXAO-STQMWFEESA-N 2 2 375.257 3.767 20 0 GHADLP FC(F)Oc1c(Br)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000679025643 1021953754 /nfs/dbraw/zinc/95/37/54/1021953754.db2.gz OWLAYIARSAUXAO-STQMWFEESA-N 2 2 375.257 3.767 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(Cl)ccc1C(F)(F)F)CC2 ZINC001140565540 1021980920 /nfs/dbraw/zinc/98/09/20/1021980920.db2.gz HLBGRLHUPAZGEB-UHFFFAOYSA-N 2 2 375.822 3.989 20 0 GHADLP Oc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1OC(F)F ZINC001140630032 1022110812 /nfs/dbraw/zinc/11/08/12/1022110812.db2.gz FIFYAKAQTDKWPS-OALUTQOASA-N 2 2 388.458 3.948 20 0 GHADLP Oc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1OC(F)F ZINC001140630032 1022110826 /nfs/dbraw/zinc/11/08/26/1022110826.db2.gz FIFYAKAQTDKWPS-OALUTQOASA-N 2 2 388.458 3.948 20 0 GHADLP Oc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1OC(F)F ZINC001140630032 1022110829 /nfs/dbraw/zinc/11/08/29/1022110829.db2.gz FIFYAKAQTDKWPS-OALUTQOASA-N 2 2 388.458 3.948 20 0 GHADLP Oc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1OC(F)F ZINC001140630032 1022110834 /nfs/dbraw/zinc/11/08/34/1022110834.db2.gz FIFYAKAQTDKWPS-OALUTQOASA-N 2 2 388.458 3.948 20 0 GHADLP Brc1cccc(CN2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)c1 ZINC001140802602 1022572126 /nfs/dbraw/zinc/57/21/26/1022572126.db2.gz AIVCWRUGRZSVAX-UHFFFAOYSA-N 2 2 385.309 3.643 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000245832759 1033062246 /nfs/dbraw/zinc/06/22/46/1033062246.db2.gz GNPMZGRIVSWBRI-LPHOPBHVSA-N 2 2 386.927 3.524 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000245832759 1033062263 /nfs/dbraw/zinc/06/22/63/1033062263.db2.gz GNPMZGRIVSWBRI-LPHOPBHVSA-N 2 2 386.927 3.524 20 0 GHADLP CN(C(=O)Nc1ccc2[nH]ccc2c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245844086 1033072389 /nfs/dbraw/zinc/07/23/89/1033072389.db2.gz KNRDQLAECYLKBZ-FGZHOGPDSA-N 2 2 397.567 3.969 20 0 GHADLP CN(C(=O)Nc1ccc2[nH]ccc2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245844086 1033072401 /nfs/dbraw/zinc/07/24/01/1033072401.db2.gz KNRDQLAECYLKBZ-FGZHOGPDSA-N 2 2 397.567 3.969 20 0 GHADLP Cc1cc(OC(F)(F)F)ccc1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001140960735 1023013856 /nfs/dbraw/zinc/01/38/56/1023013856.db2.gz CYJMHVXDJQRINZ-RTBURBONSA-N 2 2 391.437 3.852 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000755786959 1023378381 /nfs/dbraw/zinc/37/83/81/1023378381.db2.gz CCKLSNXYXSZZNQ-HXUWFJFHSA-N 2 2 387.487 3.796 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000755786959 1023378395 /nfs/dbraw/zinc/37/83/95/1023378395.db2.gz CCKLSNXYXSZZNQ-HXUWFJFHSA-N 2 2 387.487 3.796 20 0 GHADLP Cc1c2ccccc2sc1C[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001138460408 1024886832 /nfs/dbraw/zinc/88/68/32/1024886832.db2.gz LGXMRCRLYVWYEN-UHFFFAOYSA-N 2 2 395.576 3.845 20 0 GHADLP Cc1c2ccccc2sc1C[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001138460408 1024886848 /nfs/dbraw/zinc/88/68/48/1024886848.db2.gz LGXMRCRLYVWYEN-UHFFFAOYSA-N 2 2 395.576 3.845 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)cc1 ZINC001138544057 1024987418 /nfs/dbraw/zinc/98/74/18/1024987418.db2.gz BKZJJPOGRTZIJW-PMACEKPBSA-N 2 2 382.508 3.764 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)cc1 ZINC001138544057 1024987421 /nfs/dbraw/zinc/98/74/21/1024987421.db2.gz BKZJJPOGRTZIJW-PMACEKPBSA-N 2 2 382.508 3.764 20 0 GHADLP CCOC(=O)c1c(C)cc(NC2(c3cccc(OC)c3)CC[NH2+]CC2)[nH+]c1C ZINC001161996397 1025529204 /nfs/dbraw/zinc/52/92/04/1025529204.db2.gz ITXIEQKDZSUBSI-UHFFFAOYSA-N 2 2 383.492 3.575 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001141558742 1025535564 /nfs/dbraw/zinc/53/55/64/1025535564.db2.gz WMBQZIDQHXJULO-LEWJYISDSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001141558742 1025535574 /nfs/dbraw/zinc/53/55/74/1025535574.db2.gz WMBQZIDQHXJULO-LEWJYISDSA-N 2 2 385.939 3.724 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C[C@@H](c2ccccc2)N2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC001461018171 1069338964 /nfs/dbraw/zinc/33/89/64/1069338964.db2.gz CLDCUXJLHLMOSZ-RPWUZVMVSA-N 2 2 393.575 3.703 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C[C@@H](c2ccccc2)N2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC001461018171 1069338974 /nfs/dbraw/zinc/33/89/74/1069338974.db2.gz CLDCUXJLHLMOSZ-RPWUZVMVSA-N 2 2 393.575 3.703 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)C1 ZINC000839190243 1025711078 /nfs/dbraw/zinc/71/10/78/1025711078.db2.gz YFBWIHSTUKZQJJ-MOPGFXCFSA-N 2 2 376.545 3.775 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)C1 ZINC000839190243 1025711099 /nfs/dbraw/zinc/71/10/99/1025711099.db2.gz YFBWIHSTUKZQJJ-MOPGFXCFSA-N 2 2 376.545 3.775 20 0 GHADLP c1nc2ccccc2n1C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001139059562 1025847673 /nfs/dbraw/zinc/84/76/73/1025847673.db2.gz CUQYQAXTOCMEPA-UHFFFAOYSA-N 2 2 390.531 3.706 20 0 GHADLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cc4cccnc4cc3F)C2)C1 ZINC001141625547 1025941977 /nfs/dbraw/zinc/94/19/77/1025941977.db2.gz XDZPYAPEGHQJQF-NFBKMPQASA-N 2 2 383.511 3.554 20 0 GHADLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cc4cccnc4cc3F)C2)C1 ZINC001141625547 1025941981 /nfs/dbraw/zinc/94/19/81/1025941981.db2.gz XDZPYAPEGHQJQF-NFBKMPQASA-N 2 2 383.511 3.554 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cc4cccnc4cc3F)C2)C1 ZINC001141625547 1025941990 /nfs/dbraw/zinc/94/19/90/1025941990.db2.gz XDZPYAPEGHQJQF-NFBKMPQASA-N 2 2 383.511 3.554 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cc4cccnc4cc3F)C2)C1 ZINC001141625547 1025941994 /nfs/dbraw/zinc/94/19/94/1025941994.db2.gz XDZPYAPEGHQJQF-NFBKMPQASA-N 2 2 383.511 3.554 20 0 GHADLP O[C@H](C[C@H]1COCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccco1 ZINC000839507090 1025993502 /nfs/dbraw/zinc/99/35/02/1025993502.db2.gz FAHAVCWHQLLLJC-FCHUYYIVSA-N 2 2 384.520 3.590 20 0 GHADLP O[C@H](C[C@H]1COCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccco1 ZINC000839507090 1025993509 /nfs/dbraw/zinc/99/35/09/1025993509.db2.gz FAHAVCWHQLLLJC-FCHUYYIVSA-N 2 2 384.520 3.590 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc4cc(F)ccc4n2)CC3)cn1 ZINC001141644905 1026019045 /nfs/dbraw/zinc/01/90/45/1026019045.db2.gz MQQPQBMPLRRFRL-UHFFFAOYSA-N 2 2 393.510 3.738 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccc4cc(F)ccc4n2)CC3)cn1 ZINC001141644905 1026019067 /nfs/dbraw/zinc/01/90/67/1026019067.db2.gz MQQPQBMPLRRFRL-UHFFFAOYSA-N 2 2 393.510 3.738 20 0 GHADLP O=C1N(c2ccsc2)CC[C@]12CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139358978 1026230673 /nfs/dbraw/zinc/23/06/73/1026230673.db2.gz XABZQAUPEZZCHH-NRFANRHFSA-N 2 2 378.501 3.563 20 0 GHADLP O=C1N(c2ccsc2)CC[C@]12CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139358978 1026230686 /nfs/dbraw/zinc/23/06/86/1026230686.db2.gz XABZQAUPEZZCHH-NRFANRHFSA-N 2 2 378.501 3.563 20 0 GHADLP CN1C(=O)CC2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c2ccccc21 ZINC001139359865 1026232945 /nfs/dbraw/zinc/23/29/45/1026232945.db2.gz LSDQVRVWMRHELS-UHFFFAOYSA-N 2 2 386.499 3.773 20 0 GHADLP C[N@@H+]1C[C@@H](C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)[C@H](c2ccccc2)C1 ZINC001202939017 1026354867 /nfs/dbraw/zinc/35/48/67/1026354867.db2.gz OGTAFAWUKNGHSY-SJORKVTESA-N 2 2 392.469 3.673 20 0 GHADLP C[N@H+]1C[C@@H](C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)[C@H](c2ccccc2)C1 ZINC001202939017 1026354877 /nfs/dbraw/zinc/35/48/77/1026354877.db2.gz OGTAFAWUKNGHSY-SJORKVTESA-N 2 2 392.469 3.673 20 0 GHADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC001139509872 1026364110 /nfs/dbraw/zinc/36/41/10/1026364110.db2.gz KHBWHHHEQDTLDM-UHFFFAOYSA-N 2 2 397.538 3.759 20 0 GHADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC001139509872 1026364116 /nfs/dbraw/zinc/36/41/16/1026364116.db2.gz KHBWHHHEQDTLDM-UHFFFAOYSA-N 2 2 397.538 3.759 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1ccc3oc4ccccc4c3c1)CC2 ZINC001139751754 1026590995 /nfs/dbraw/zinc/59/09/95/1026590995.db2.gz BBWLXKYYQUAAPG-UHFFFAOYSA-N 2 2 391.515 3.762 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1ccc3oc4ccccc4c3c1)CC2 ZINC001139751754 1026591000 /nfs/dbraw/zinc/59/10/00/1026591000.db2.gz BBWLXKYYQUAAPG-UHFFFAOYSA-N 2 2 391.515 3.762 20 0 GHADLP Cn1c(=O)cc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)c2ccccc21 ZINC001139759755 1026596654 /nfs/dbraw/zinc/59/66/54/1026596654.db2.gz XGVXTWXCEHHMTG-UHFFFAOYSA-N 2 2 387.527 3.561 20 0 GHADLP Cn1c(=O)cc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)c2ccccc21 ZINC001139759755 1026596658 /nfs/dbraw/zinc/59/66/58/1026596658.db2.gz XGVXTWXCEHHMTG-UHFFFAOYSA-N 2 2 387.527 3.561 20 0 GHADLP COc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)s1 ZINC001139816601 1026639053 /nfs/dbraw/zinc/63/90/53/1026639053.db2.gz GHHUQMUPFXJZSP-BMGDILEWSA-N 2 2 377.579 3.946 20 0 GHADLP COc1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)s1 ZINC001139816601 1026639064 /nfs/dbraw/zinc/63/90/64/1026639064.db2.gz GHHUQMUPFXJZSP-BMGDILEWSA-N 2 2 377.579 3.946 20 0 GHADLP COc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)s1 ZINC001139816601 1026639072 /nfs/dbraw/zinc/63/90/72/1026639072.db2.gz GHHUQMUPFXJZSP-BMGDILEWSA-N 2 2 377.579 3.946 20 0 GHADLP COc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)s1 ZINC001139816601 1026639077 /nfs/dbraw/zinc/63/90/77/1026639077.db2.gz GHHUQMUPFXJZSP-BMGDILEWSA-N 2 2 377.579 3.946 20 0 GHADLP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001139854712 1026670342 /nfs/dbraw/zinc/67/03/42/1026670342.db2.gz QHNOALCBNNMOJD-UHFFFAOYSA-N 2 2 396.926 3.617 20 0 GHADLP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001139854712 1026670346 /nfs/dbraw/zinc/67/03/46/1026670346.db2.gz QHNOALCBNNMOJD-UHFFFAOYSA-N 2 2 396.926 3.617 20 0 GHADLP CCCN(CCC)c1cc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc[nH+]1 ZINC001165306545 1026699330 /nfs/dbraw/zinc/69/93/30/1026699330.db2.gz RHYGXQKPGZCAEC-HNNXBMFYSA-N 2 2 385.478 3.756 20 0 GHADLP Brc1cccc2c([C@@H]3CN(c4ccc5c([nH+]4)CCC5)CCO3)[nH+]cn21 ZINC001165320400 1026703187 /nfs/dbraw/zinc/70/31/87/1026703187.db2.gz WIEGWVYBTZJTMW-INIZCTEOSA-N 2 2 399.292 3.558 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC2(C[C@@H](c3cncnc3)CO2)CC1 ZINC001140024633 1026812017 /nfs/dbraw/zinc/81/20/17/1026812017.db2.gz IIYSVSHXABHUGU-HXUWFJFHSA-N 2 2 389.503 3.509 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCCn2cnc(COC(C)C)c2C1 ZINC001140024740 1026812290 /nfs/dbraw/zinc/81/22/90/1026812290.db2.gz IGRKTWDSCVBJTL-UHFFFAOYSA-N 2 2 379.508 3.708 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCCn2cnc(COC(C)C)c2C1 ZINC001140024740 1026812296 /nfs/dbraw/zinc/81/22/96/1026812296.db2.gz IGRKTWDSCVBJTL-UHFFFAOYSA-N 2 2 379.508 3.708 20 0 GHADLP COC(=O)[C@H]1C[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C[C@@H]1c1ccc(F)cc1 ZINC001140027180 1026815496 /nfs/dbraw/zinc/81/54/96/1026815496.db2.gz BJXATEGAPMAASQ-RTWAWAEBSA-N 2 2 393.462 3.708 20 0 GHADLP COC(=O)[C@H]1C[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C[C@@H]1c1ccc(F)cc1 ZINC001140027180 1026815505 /nfs/dbraw/zinc/81/55/05/1026815505.db2.gz BJXATEGAPMAASQ-RTWAWAEBSA-N 2 2 393.462 3.708 20 0 GHADLP CN(CC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001203001919 1026872646 /nfs/dbraw/zinc/87/26/46/1026872646.db2.gz JDEVOODBHOLOIM-HSZRJFAPSA-N 2 2 387.568 3.841 20 0 GHADLP CN(CC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001203001919 1026872657 /nfs/dbraw/zinc/87/26/57/1026872657.db2.gz JDEVOODBHOLOIM-HSZRJFAPSA-N 2 2 387.568 3.841 20 0 GHADLP CN(CC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001203001919 1026872667 /nfs/dbraw/zinc/87/26/67/1026872667.db2.gz JDEVOODBHOLOIM-HSZRJFAPSA-N 2 2 387.568 3.841 20 0 GHADLP CN(CC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001203001919 1026872677 /nfs/dbraw/zinc/87/26/77/1026872677.db2.gz JDEVOODBHOLOIM-HSZRJFAPSA-N 2 2 387.568 3.841 20 0 GHADLP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(c1cc(OC(C)C)cc[nH+]1)C2 ZINC001166241026 1026950925 /nfs/dbraw/zinc/95/09/25/1026950925.db2.gz ADUKGMGFALATKM-UHFFFAOYSA-N 2 2 389.503 3.994 20 0 GHADLP COc1cc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc2c1OCO2 ZINC001209716532 1027112735 /nfs/dbraw/zinc/11/27/35/1027112735.db2.gz JLHXDKJNMCUCAH-DZCCDHAISA-N 2 2 396.531 3.819 20 0 GHADLP COc1cc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc2c1OCO2 ZINC001209716532 1027112747 /nfs/dbraw/zinc/11/27/47/1027112747.db2.gz JLHXDKJNMCUCAH-DZCCDHAISA-N 2 2 396.531 3.819 20 0 GHADLP COc1cc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc2c1OCO2 ZINC001209716532 1027112755 /nfs/dbraw/zinc/11/27/55/1027112755.db2.gz JLHXDKJNMCUCAH-DZCCDHAISA-N 2 2 396.531 3.819 20 0 GHADLP COc1cc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc2c1OCO2 ZINC001209716532 1027112763 /nfs/dbraw/zinc/11/27/63/1027112763.db2.gz JLHXDKJNMCUCAH-DZCCDHAISA-N 2 2 396.531 3.819 20 0 GHADLP COc1cc(C[N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)cc2c1OCO2 ZINC001209719444 1027116729 /nfs/dbraw/zinc/11/67/29/1027116729.db2.gz RXTOVZYREDHWRV-UHFFFAOYSA-N 2 2 386.467 3.659 20 0 GHADLP COc1cc(C[N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)cc2c1OCO2 ZINC001209719444 1027116738 /nfs/dbraw/zinc/11/67/38/1027116738.db2.gz RXTOVZYREDHWRV-UHFFFAOYSA-N 2 2 386.467 3.659 20 0 GHADLP CC(C)C[N@H+](Cc1c[nH+]ccc1N)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001209732574 1027126673 /nfs/dbraw/zinc/12/66/73/1027126673.db2.gz JASOEVMWFDAJDF-IYARVYRRSA-N 2 2 376.545 3.788 20 0 GHADLP CC(C)C[N@@H+](Cc1c[nH+]ccc1N)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001209732574 1027126679 /nfs/dbraw/zinc/12/66/79/1027126679.db2.gz JASOEVMWFDAJDF-IYARVYRRSA-N 2 2 376.545 3.788 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+](Cc2c[nH+]ccc2N)C2CCCC2)C1 ZINC001209732590 1027126711 /nfs/dbraw/zinc/12/67/11/1027126711.db2.gz JLSFZUCQSXZSCS-KRWDZBQOSA-N 2 2 388.556 3.886 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+](Cc2c[nH+]ccc2N)C2CCCC2)C1 ZINC001209732590 1027126724 /nfs/dbraw/zinc/12/67/24/1027126724.db2.gz JLSFZUCQSXZSCS-KRWDZBQOSA-N 2 2 388.556 3.886 20 0 GHADLP COC(=O)Cc1c[nH]c2[nH+]ccc(NC[C@H](c3ccccc3)[NH+]3CCCC3)c12 ZINC001166910211 1027148898 /nfs/dbraw/zinc/14/88/98/1027148898.db2.gz MQFBOKILJVYIER-LJQANCHMSA-N 2 2 378.476 3.527 20 0 GHADLP C[NH+]1CCC(Oc2ccc(Nc3ccccc3C[NH+]3CCOCC3)cc2)CC1 ZINC001209930810 1027281069 /nfs/dbraw/zinc/28/10/69/1027281069.db2.gz QVXQBNDJAOKFDD-UHFFFAOYSA-N 2 2 381.520 3.735 20 0 GHADLP Cc1cc(N)[nH+]cc1Nc1ccc[nH+]c1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001209965380 1027294867 /nfs/dbraw/zinc/29/48/67/1027294867.db2.gz UISQTJRIGKXEKF-UHFFFAOYSA-N 2 2 398.511 3.604 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2noc3ccc(F)cc32)CC1 ZINC001203414113 1027321653 /nfs/dbraw/zinc/32/16/53/1027321653.db2.gz HLXLVPHQBKCGIL-UHFFFAOYSA-N 2 2 388.874 3.662 20 0 GHADLP CCn1c2ccc(C)cc2[nH+]c1NCc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001203529916 1027408934 /nfs/dbraw/zinc/40/89/34/1027408934.db2.gz OAKGMMMCOANLCF-UHFFFAOYSA-N 2 2 394.519 3.688 20 0 GHADLP Brc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203907775 1027699452 /nfs/dbraw/zinc/69/94/52/1027699452.db2.gz HIBJFJSYCMXOFR-MOPGFXCFSA-N 2 2 386.337 3.798 20 0 GHADLP Brc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203907775 1027699460 /nfs/dbraw/zinc/69/94/60/1027699460.db2.gz HIBJFJSYCMXOFR-MOPGFXCFSA-N 2 2 386.337 3.798 20 0 GHADLP Brc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203907775 1027699464 /nfs/dbraw/zinc/69/94/64/1027699464.db2.gz HIBJFJSYCMXOFR-MOPGFXCFSA-N 2 2 386.337 3.798 20 0 GHADLP Brc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203907775 1027699469 /nfs/dbraw/zinc/69/94/69/1027699469.db2.gz HIBJFJSYCMXOFR-MOPGFXCFSA-N 2 2 386.337 3.798 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCN(c4ccc(F)cc4)C3)CC2)cc1 ZINC000840896048 1027929987 /nfs/dbraw/zinc/92/99/87/1027929987.db2.gz CCVCBMWLFYIRPZ-HXUWFJFHSA-N 2 2 382.527 3.729 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3[nH]cnc3C(C)(C)C)C[C@H]21 ZINC001142226151 1028421408 /nfs/dbraw/zinc/42/14/08/1028421408.db2.gz HTSRIAUKXRIMNO-FBBABVLZSA-N 2 2 381.568 3.835 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3[nH]cnc3C(C)(C)C)C[C@H]21 ZINC001142226151 1028421410 /nfs/dbraw/zinc/42/14/10/1028421410.db2.gz HTSRIAUKXRIMNO-FBBABVLZSA-N 2 2 381.568 3.835 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3[nH]cnc3C(C)(C)C)C[C@H]21 ZINC001142226151 1028421415 /nfs/dbraw/zinc/42/14/15/1028421415.db2.gz HTSRIAUKXRIMNO-FBBABVLZSA-N 2 2 381.568 3.835 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3[nH]cnc3C(C)(C)C)C[C@H]21 ZINC001142226151 1028421418 /nfs/dbraw/zinc/42/14/18/1028421418.db2.gz HTSRIAUKXRIMNO-FBBABVLZSA-N 2 2 381.568 3.835 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[NH+]1CCc2sccc2C1 ZINC001142227279 1028422861 /nfs/dbraw/zinc/42/28/61/1028422861.db2.gz JVPJMSYIXUBWRS-NRFANRHFSA-N 2 2 397.588 3.523 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[NH+]1CCc2sccc2C1 ZINC001142227279 1028422872 /nfs/dbraw/zinc/42/28/72/1028422872.db2.gz JVPJMSYIXUBWRS-NRFANRHFSA-N 2 2 397.588 3.523 20 0 GHADLP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001142227279 1028422884 /nfs/dbraw/zinc/42/28/84/1028422884.db2.gz JVPJMSYIXUBWRS-NRFANRHFSA-N 2 2 397.588 3.523 20 0 GHADLP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001142227279 1028422895 /nfs/dbraw/zinc/42/28/95/1028422895.db2.gz JVPJMSYIXUBWRS-NRFANRHFSA-N 2 2 397.588 3.523 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]cc2-c2nc(-c3ccc(Cl)c(Cl)c3)no2)CC1 ZINC001214671660 1028851346 /nfs/dbraw/zinc/85/13/46/1028851346.db2.gz JFECBFPOYKSZBH-UHFFFAOYSA-N 2 2 390.274 3.857 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC001461491728 1069574570 /nfs/dbraw/zinc/57/45/70/1069574570.db2.gz BZVYWSRMYPJCNU-NRFANRHFSA-N 2 2 396.535 3.772 20 0 GHADLP CC[NH+](CC)Cc1ccc(F)c(Nc2[nH+]c3ccccc3n2CCNC(C)=O)c1 ZINC001215725738 1029370216 /nfs/dbraw/zinc/37/02/16/1029370216.db2.gz JIOWCEXOSPPFAD-UHFFFAOYSA-N 2 2 397.498 3.897 20 0 GHADLP Cn1c2ccc(F)cc2nc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842683309 1029489604 /nfs/dbraw/zinc/48/96/04/1029489604.db2.gz JXDBSUKDFAYESR-IBGZPJMESA-N 2 2 378.495 3.999 20 0 GHADLP Cn1c2ccc(F)cc2nc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842683309 1029489609 /nfs/dbraw/zinc/48/96/09/1029489609.db2.gz JXDBSUKDFAYESR-IBGZPJMESA-N 2 2 378.495 3.999 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)[NH+]1CCSCC1 ZINC001142875061 1029622398 /nfs/dbraw/zinc/62/23/98/1029622398.db2.gz IXOWYNCMLRWTTR-KRWDZBQOSA-N 2 2 393.622 3.640 20 0 GHADLP O=C(c1cccs1)N1CCC2(CC1)CC[NH+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143020763 1029787648 /nfs/dbraw/zinc/78/76/48/1029787648.db2.gz AHDQQNKWQPDUFP-UHFFFAOYSA-N 2 2 394.544 3.914 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000843361373 1029940975 /nfs/dbraw/zinc/94/09/75/1029940975.db2.gz YMYVZPOWIKNXGG-VYTWWXLVSA-N 2 2 397.950 3.890 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000843361373 1029940977 /nfs/dbraw/zinc/94/09/77/1029940977.db2.gz YMYVZPOWIKNXGG-VYTWWXLVSA-N 2 2 397.950 3.890 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccccc1 ZINC001222126714 1029971916 /nfs/dbraw/zinc/97/19/16/1029971916.db2.gz DDMPDICUQPCWCU-HXUWFJFHSA-N 2 2 397.910 3.628 20 0 GHADLP Brc1ccn2cc(C[N@@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)nc2c1 ZINC001222166813 1029984717 /nfs/dbraw/zinc/98/47/17/1029984717.db2.gz CLYBKAGTUYQQSH-LJQANCHMSA-N 2 2 391.357 3.843 20 0 GHADLP Brc1ccn2cc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)nc2c1 ZINC001222166813 1029984721 /nfs/dbraw/zinc/98/47/21/1029984721.db2.gz CLYBKAGTUYQQSH-LJQANCHMSA-N 2 2 391.357 3.843 20 0 GHADLP Fc1c(C[NH+]2CCC3(C[NH2+]C3)CC2)c(Br)ccc1C(F)(F)F ZINC001222204332 1030001708 /nfs/dbraw/zinc/00/17/08/1030001708.db2.gz WSGNESLQGSPOQS-UHFFFAOYSA-N 2 2 381.211 3.792 20 0 GHADLP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1cc(Cl)ccc1SC)CC[NH2+]CC2 ZINC001222232216 1030025100 /nfs/dbraw/zinc/02/51/00/1030025100.db2.gz TUGFNYQPWKMSBA-INIZCTEOSA-N 2 2 382.957 3.569 20 0 GHADLP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)ccc1SC)CC[NH2+]CC2 ZINC001222232216 1030025110 /nfs/dbraw/zinc/02/51/10/1030025110.db2.gz TUGFNYQPWKMSBA-INIZCTEOSA-N 2 2 382.957 3.569 20 0 GHADLP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1cc(Cl)ccc1SC)CC[NH2+]CC2 ZINC001222232218 1030025298 /nfs/dbraw/zinc/02/52/98/1030025298.db2.gz TUGFNYQPWKMSBA-MRXNPFEDSA-N 2 2 382.957 3.569 20 0 GHADLP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1cc(Cl)ccc1SC)CC[NH2+]CC2 ZINC001222232218 1030025305 /nfs/dbraw/zinc/02/53/05/1030025305.db2.gz TUGFNYQPWKMSBA-MRXNPFEDSA-N 2 2 382.957 3.569 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c(OC)cc1Br ZINC001222314479 1030064783 /nfs/dbraw/zinc/06/47/83/1030064783.db2.gz GMEAEHFINFVASS-SFHVURJKSA-N 2 2 383.330 3.574 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(OC)cc1Br ZINC001222314479 1030064802 /nfs/dbraw/zinc/06/48/02/1030064802.db2.gz GMEAEHFINFVASS-SFHVURJKSA-N 2 2 383.330 3.574 20 0 GHADLP COc1ccc(F)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1Cl ZINC001143369923 1030065731 /nfs/dbraw/zinc/06/57/31/1030065731.db2.gz WPXFEJKQSCJQLQ-SJORKVTESA-N 2 2 389.902 3.837 20 0 GHADLP COc1ccc(F)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1Cl ZINC001143369923 1030065749 /nfs/dbraw/zinc/06/57/49/1030065749.db2.gz WPXFEJKQSCJQLQ-SJORKVTESA-N 2 2 389.902 3.837 20 0 GHADLP COc1ccc(F)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1Cl ZINC001143369923 1030065764 /nfs/dbraw/zinc/06/57/64/1030065764.db2.gz WPXFEJKQSCJQLQ-SJORKVTESA-N 2 2 389.902 3.837 20 0 GHADLP COc1ccc(F)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1Cl ZINC001143369923 1030065782 /nfs/dbraw/zinc/06/57/82/1030065782.db2.gz WPXFEJKQSCJQLQ-SJORKVTESA-N 2 2 389.902 3.837 20 0 GHADLP Cc1ccc(S(=O)(=O)c2ccccc2C[NH+]2CCC3(CCC[NH2+]C3)CC2)cc1 ZINC001222452118 1030139016 /nfs/dbraw/zinc/13/90/16/1030139016.db2.gz BAMPAWPSZRDNJZ-UHFFFAOYSA-N 2 2 398.572 3.793 20 0 GHADLP FC(F)(F)c1ccccc1-c1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222502256 1030171598 /nfs/dbraw/zinc/17/15/98/1030171598.db2.gz HODLZBLAEJWKNR-SFTDATJTSA-N 2 2 389.465 3.898 20 0 GHADLP CCOc1cncc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222591343 1030219040 /nfs/dbraw/zinc/21/90/40/1030219040.db2.gz UOIBTBACIHNABV-JOCHJYFZSA-N 2 2 395.547 3.784 20 0 GHADLP CCOc1cncc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222591343 1030219057 /nfs/dbraw/zinc/21/90/57/1030219057.db2.gz UOIBTBACIHNABV-JOCHJYFZSA-N 2 2 395.547 3.784 20 0 GHADLP c1ccc(COc2ccc(C[N@@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)cn2)cc1 ZINC001222609281 1030232180 /nfs/dbraw/zinc/23/21/80/1030232180.db2.gz MOLFCHBQXWEFLI-HSZRJFAPSA-N 2 2 385.511 3.850 20 0 GHADLP c1ccc(COc2ccc(C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)cn2)cc1 ZINC001222609281 1030232193 /nfs/dbraw/zinc/23/21/93/1030232193.db2.gz MOLFCHBQXWEFLI-HSZRJFAPSA-N 2 2 385.511 3.850 20 0 GHADLP c1ccc(COc2cncc(C[N@@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)c2)cc1 ZINC001222614225 1030237680 /nfs/dbraw/zinc/23/76/80/1030237680.db2.gz CHRRDLMUSWTQJF-DEOSSOPVSA-N 2 2 385.511 3.850 20 0 GHADLP c1ccc(COc2cncc(C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)c2)cc1 ZINC001222614225 1030237703 /nfs/dbraw/zinc/23/77/03/1030237703.db2.gz CHRRDLMUSWTQJF-DEOSSOPVSA-N 2 2 385.511 3.850 20 0 GHADLP c1ccc(COc2cc(C[N@@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)ccn2)cc1 ZINC001222615836 1030239290 /nfs/dbraw/zinc/23/92/90/1030239290.db2.gz SYDXRHFBIGTZSZ-QHCPKHFHSA-N 2 2 385.511 3.850 20 0 GHADLP c1ccc(COc2cc(C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)ccn2)cc1 ZINC001222615836 1030239303 /nfs/dbraw/zinc/23/93/03/1030239303.db2.gz SYDXRHFBIGTZSZ-QHCPKHFHSA-N 2 2 385.511 3.850 20 0 GHADLP Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)c1 ZINC001218677803 1031031113 /nfs/dbraw/zinc/03/11/13/1031031113.db2.gz RVGNZROVZNATJK-LJQANCHMSA-N 2 2 391.519 3.689 20 0 GHADLP O=C(C[C@@H]1CC2(CC[NH2+]CC2)c2cc(F)ccc21)Nc1ccn2cc[nH+]c2c1 ZINC001218787395 1031079298 /nfs/dbraw/zinc/07/92/98/1031079298.db2.gz DLZAHOCZORXMIW-OAHLLOKOSA-N 2 2 378.451 3.611 20 0 GHADLP COc1ccccc1Oc1ccc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)cc1 ZINC001218852945 1031115720 /nfs/dbraw/zinc/11/57/20/1031115720.db2.gz NGZUFLXERVQKHU-LJQANCHMSA-N 2 2 377.444 3.698 20 0 GHADLP CC(C)C[C@@H](C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC001152752315 1031347448 /nfs/dbraw/zinc/34/74/48/1031347448.db2.gz NPNRNWJYMCXYGY-YADHBBJMSA-N 2 2 382.552 3.983 20 0 GHADLP CC(C)C[C@@H](C(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC001152752315 1031347465 /nfs/dbraw/zinc/34/74/65/1031347465.db2.gz NPNRNWJYMCXYGY-YADHBBJMSA-N 2 2 382.552 3.983 20 0 GHADLP [NH3+]C1(c2cccc(C(F)(F)F)c2)CCN(C(=O)c2c[nH]c3cc[nH+]cc23)CC1 ZINC001152983680 1031420181 /nfs/dbraw/zinc/42/01/81/1031420181.db2.gz UWTKSPNHKQAJPF-UHFFFAOYSA-N 2 2 388.393 3.672 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[NH2+]Cc2ccsc21)c1ccccc1Cl ZINC001219825627 1031638432 /nfs/dbraw/zinc/63/84/32/1031638432.db2.gz LVQQIFBEJIIOMI-SJORKVTESA-N 2 2 377.941 3.745 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1Cl ZINC001220533306 1031979606 /nfs/dbraw/zinc/97/96/06/1031979606.db2.gz NHLQGGZNXWBBDE-SFHVURJKSA-N 2 2 378.303 3.629 20 0 GHADLP CC(C)C1(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)CC[NH2+]CC1 ZINC001220534000 1031980680 /nfs/dbraw/zinc/98/06/80/1031980680.db2.gz VHIXQLSOYANFNL-QGZVFWFLSA-N 2 2 386.367 3.738 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCCNc1ncnc2c1C[NH+](Cc1ccccc1)CC2 ZINC001156928384 1033323405 /nfs/dbraw/zinc/32/34/05/1033323405.db2.gz JWSMMFQSQMUCCD-IBGZPJMESA-N 2 2 379.552 3.711 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCCNc1ncnc2c1C[NH+](Cc1ccccc1)CC2 ZINC001156928384 1033323421 /nfs/dbraw/zinc/32/34/21/1033323421.db2.gz JWSMMFQSQMUCCD-IBGZPJMESA-N 2 2 379.552 3.711 20 0 GHADLP C[C@H]1CCCC[NH+]1CCCNc1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001156928384 1033323434 /nfs/dbraw/zinc/32/34/34/1033323434.db2.gz JWSMMFQSQMUCCD-IBGZPJMESA-N 2 2 379.552 3.711 20 0 GHADLP C[C@H]1CCCC[NH+]1CCCNc1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001156928384 1033323449 /nfs/dbraw/zinc/32/34/49/1033323449.db2.gz JWSMMFQSQMUCCD-IBGZPJMESA-N 2 2 379.552 3.711 20 0 GHADLP CC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@H](C)Cc1ccsc1 ZINC001205492167 1033438386 /nfs/dbraw/zinc/43/83/86/1033438386.db2.gz HCTGUUDCHBBFHN-LJQANCHMSA-N 2 2 388.577 3.912 20 0 GHADLP CC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@H](C)Cc1ccsc1 ZINC001205492167 1033438398 /nfs/dbraw/zinc/43/83/98/1033438398.db2.gz HCTGUUDCHBBFHN-LJQANCHMSA-N 2 2 388.577 3.912 20 0 GHADLP Cc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(C)cc1I ZINC001205703124 1033537806 /nfs/dbraw/zinc/53/78/06/1033537806.db2.gz WOTFKPJVSGWHFA-QAPCUYQASA-N 2 2 398.332 3.824 20 0 GHADLP COc1cc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC001205763968 1033563178 /nfs/dbraw/zinc/56/31/78/1033563178.db2.gz SUWCGTWAKRHPAJ-GOSISDBHSA-N 2 2 376.447 3.690 20 0 GHADLP COc1cc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC001205763968 1033563190 /nfs/dbraw/zinc/56/31/90/1033563190.db2.gz SUWCGTWAKRHPAJ-GOSISDBHSA-N 2 2 376.447 3.690 20 0 GHADLP O=C(c1ccccc1C1CC[NH2+]CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001157610097 1033689223 /nfs/dbraw/zinc/68/92/23/1033689223.db2.gz OJHCHFCGNKUKLB-RMKNXTFCSA-N 2 2 389.543 3.625 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1cncc(C[NH+]2CCCCC2)c1 ZINC001206526498 1033891048 /nfs/dbraw/zinc/89/10/48/1033891048.db2.gz QUNHRTQAXJIAPI-UHFFFAOYSA-N 2 2 381.520 3.575 20 0 GHADLP COc1ccc(CN(c2nc(NCC3CC3)c(C)c[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158156178 1033941088 /nfs/dbraw/zinc/94/10/88/1033941088.db2.gz LLZDIUHOLGWROJ-MXVIHJGJSA-N 2 2 395.551 3.892 20 0 GHADLP c1ccc(COC2CC3(C2)C[NH+](Cc2ccc(C[NH+]4CCOCC4)cc2)C3)cc1 ZINC001206721869 1033958092 /nfs/dbraw/zinc/95/80/92/1033958092.db2.gz GVAUKZOXUDYEIQ-UHFFFAOYSA-N 2 2 392.543 3.700 20 0 GHADLP C[N@H+](Cc1ccccc1CC(F)(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001206846600 1034033703 /nfs/dbraw/zinc/03/37/03/1034033703.db2.gz JVYKOOWMUXUSTE-NRFANRHFSA-N 2 2 392.465 3.860 20 0 GHADLP C[N@@H+](Cc1ccccc1CC(F)(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001206846600 1034033713 /nfs/dbraw/zinc/03/37/13/1034033713.db2.gz JVYKOOWMUXUSTE-NRFANRHFSA-N 2 2 392.465 3.860 20 0 GHADLP C[NH+](Cc1ccccc1CC(F)(F)F)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001206846600 1034033725 /nfs/dbraw/zinc/03/37/25/1034033725.db2.gz JVYKOOWMUXUSTE-NRFANRHFSA-N 2 2 392.465 3.860 20 0 GHADLP C[NH+](Cc1ccccc1CC(F)(F)F)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001206846600 1034033740 /nfs/dbraw/zinc/03/37/40/1034033740.db2.gz JVYKOOWMUXUSTE-NRFANRHFSA-N 2 2 392.465 3.860 20 0 GHADLP C[C@@H](CC[NH2+][C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001207169874 1034140549 /nfs/dbraw/zinc/14/05/49/1034140549.db2.gz XSVQGFYCJVNLMX-NSHGMRRFSA-N 2 2 375.557 3.932 20 0 GHADLP C[C@@H](CC[NH2+][C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001207169874 1034140556 /nfs/dbraw/zinc/14/05/56/1034140556.db2.gz XSVQGFYCJVNLMX-NSHGMRRFSA-N 2 2 375.557 3.932 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4C[C@H]4c4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001207183645 1034152555 /nfs/dbraw/zinc/15/25/55/1034152555.db2.gz OITNNFFUVFUCQP-JBPLPALLSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4C[C@H]4c4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001207183645 1034152560 /nfs/dbraw/zinc/15/25/60/1034152560.db2.gz OITNNFFUVFUCQP-JBPLPALLSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4C[C@H]4c4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001207183645 1034152569 /nfs/dbraw/zinc/15/25/69/1034152569.db2.gz OITNNFFUVFUCQP-JBPLPALLSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H]4C[C@H]4c4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001207183645 1034152580 /nfs/dbraw/zinc/15/25/80/1034152580.db2.gz OITNNFFUVFUCQP-JBPLPALLSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4C[C@H]4c4ccc(Cl)cc4)C[C@H]3C2)cn1 ZINC001207187071 1034157736 /nfs/dbraw/zinc/15/77/36/1034157736.db2.gz OITNNFFUVFUCQP-VMBXEPDQSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4C[C@H]4c4ccc(Cl)cc4)C[C@H]3C2)cn1 ZINC001207187071 1034157741 /nfs/dbraw/zinc/15/77/41/1034157741.db2.gz OITNNFFUVFUCQP-VMBXEPDQSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4C[C@H]4c4ccc(Cl)cc4)C[C@H]3C2)cn1 ZINC001207187071 1034157745 /nfs/dbraw/zinc/15/77/45/1034157745.db2.gz OITNNFFUVFUCQP-VMBXEPDQSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H]4C[C@H]4c4ccc(Cl)cc4)C[C@H]3C2)cn1 ZINC001207187071 1034157749 /nfs/dbraw/zinc/15/77/49/1034157749.db2.gz OITNNFFUVFUCQP-VMBXEPDQSA-N 2 2 384.955 3.631 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCC23CC(NC(=O)OC(C)(C)C)(C2)C3)C1 ZINC001207226852 1034191524 /nfs/dbraw/zinc/19/15/24/1034191524.db2.gz DKSNXOILAXYXBM-YTXWROIDSA-N 2 2 387.524 3.681 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCC23CC(NC(=O)OC(C)(C)C)(C2)C3)C1 ZINC001207226852 1034191534 /nfs/dbraw/zinc/19/15/34/1034191534.db2.gz DKSNXOILAXYXBM-YTXWROIDSA-N 2 2 387.524 3.681 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)Cc3ccnn3CC3CCC3)cc2)C[C@H](C)O1 ZINC001207283068 1034235875 /nfs/dbraw/zinc/23/58/75/1034235875.db2.gz MYXKGIVWSZCUGG-BGYRXZFFSA-N 2 2 396.579 3.924 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3ccnn3CC3CCC3)cc2)C[C@H](C)O1 ZINC001207283068 1034235891 /nfs/dbraw/zinc/23/58/91/1034235891.db2.gz MYXKGIVWSZCUGG-BGYRXZFFSA-N 2 2 396.579 3.924 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3ccnn3CC3CCC3)cc2)C[C@H](C)O1 ZINC001207283068 1034235904 /nfs/dbraw/zinc/23/59/04/1034235904.db2.gz MYXKGIVWSZCUGG-BGYRXZFFSA-N 2 2 396.579 3.924 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3ccnn3CC3CCC3)cc2)C[C@H](C)O1 ZINC001207283068 1034235916 /nfs/dbraw/zinc/23/59/16/1034235916.db2.gz MYXKGIVWSZCUGG-BGYRXZFFSA-N 2 2 396.579 3.924 20 0 GHADLP Cc1nc(Cl)c(CC[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c(Cl)n1 ZINC001207341286 1034289186 /nfs/dbraw/zinc/28/91/86/1034289186.db2.gz LODQIPVGWDZRAO-UHFFFAOYSA-N 2 2 376.291 3.952 20 0 GHADLP Cc1nc(Cl)c(CC[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c(Cl)n1 ZINC001207341286 1034289190 /nfs/dbraw/zinc/28/91/90/1034289190.db2.gz LODQIPVGWDZRAO-UHFFFAOYSA-N 2 2 376.291 3.952 20 0 GHADLP COc1ccc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)c(OC(F)(F)F)c1 ZINC001159261832 1034510557 /nfs/dbraw/zinc/51/05/57/1034510557.db2.gz QGPMIRURMSCUFX-UHFFFAOYSA-N 2 2 382.386 3.660 20 0 GHADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC001207741948 1034551232 /nfs/dbraw/zinc/55/12/32/1034551232.db2.gz MVYYACZMZGZOPP-FHWLQOOXSA-N 2 2 385.552 3.550 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](CC4(c5ccccc5)CC4)CC[C@@H]3C2)cs1 ZINC001207837489 1034614782 /nfs/dbraw/zinc/61/47/82/1034614782.db2.gz KXJMERYTEAEEDL-DENIHFKCSA-N 2 2 397.588 3.706 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](CC4(c5ccccc5)CC4)CC[C@@H]3C2)cs1 ZINC001207837489 1034614788 /nfs/dbraw/zinc/61/47/88/1034614788.db2.gz KXJMERYTEAEEDL-DENIHFKCSA-N 2 2 397.588 3.706 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](CC4(c5ccccc5)CC4)CC[C@@H]3C2)cs1 ZINC001207837489 1034614797 /nfs/dbraw/zinc/61/47/97/1034614797.db2.gz KXJMERYTEAEEDL-DENIHFKCSA-N 2 2 397.588 3.706 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](CC4(c5ccccc5)CC4)CC[C@@H]3C2)cs1 ZINC001207837489 1034614803 /nfs/dbraw/zinc/61/48/03/1034614803.db2.gz KXJMERYTEAEEDL-DENIHFKCSA-N 2 2 397.588 3.706 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1nc2ccccc2n1C(F)F ZINC001207873530 1034634089 /nfs/dbraw/zinc/63/40/89/1034634089.db2.gz YBUSPAIWWXWVQE-ZBFHGGJFSA-N 2 2 378.467 3.725 20 0 GHADLP C[C@@H](C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1)c1ccccc1 ZINC001207913503 1034656798 /nfs/dbraw/zinc/65/67/98/1034656798.db2.gz LYZYEDWDUQTOFZ-ICSRJNTNSA-N 2 2 387.568 3.854 20 0 GHADLP C[C@@H](C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1)c1ccccc1 ZINC001207913503 1034656799 /nfs/dbraw/zinc/65/67/99/1034656799.db2.gz LYZYEDWDUQTOFZ-ICSRJNTNSA-N 2 2 387.568 3.854 20 0 GHADLP FC(F)(F)c1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1N1CC[NH2+]CC1 ZINC001159576456 1034675030 /nfs/dbraw/zinc/67/50/30/1034675030.db2.gz QENVIYDNLJJAGB-UHFFFAOYSA-N 2 2 391.441 3.854 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](CC[C@H](C)CCCC(C)(C)OC)C2)C1 ZINC001208210449 1034801527 /nfs/dbraw/zinc/80/15/27/1034801527.db2.gz RXQHZCLWLQECLN-GGAORHGYSA-N 2 2 398.632 3.669 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](CC[C@H](C)CCCC(C)(C)OC)C2)C1 ZINC001208210449 1034801530 /nfs/dbraw/zinc/80/15/30/1034801530.db2.gz RXQHZCLWLQECLN-GGAORHGYSA-N 2 2 398.632 3.669 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](CC[C@H](C)CCCC(C)(C)OC)C2)C1 ZINC001208210449 1034801531 /nfs/dbraw/zinc/80/15/31/1034801531.db2.gz RXQHZCLWLQECLN-GGAORHGYSA-N 2 2 398.632 3.669 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](CC[C@H](C)CCCC(C)(C)OC)C2)C1 ZINC001208210449 1034801534 /nfs/dbraw/zinc/80/15/34/1034801534.db2.gz RXQHZCLWLQECLN-GGAORHGYSA-N 2 2 398.632 3.669 20 0 GHADLP Cc1ccc([C@@H](C(=O)N2CC[C@@H](c3ccccc3F)C2)[NH+]2CCC([NH3+])CC2)cc1 ZINC001160534058 1034996507 /nfs/dbraw/zinc/99/65/07/1034996507.db2.gz GVRRPPYTUMPLIH-XXBNENTESA-N 2 2 395.522 3.614 20 0 GHADLP CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)c3cc4c(s3)C[NH2+]CC4)CC2)cc1 ZINC001160595137 1035012669 /nfs/dbraw/zinc/01/26/69/1035012669.db2.gz DYDMBXSSRMWCHE-UHFFFAOYSA-N 2 2 397.588 3.649 20 0 GHADLP c1ccc(COCCCCC[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208810266 1035032134 /nfs/dbraw/zinc/03/21/34/1035032134.db2.gz GBEXGLLUXFZJOW-ZRZAMGCNSA-N 2 2 379.548 3.832 20 0 GHADLP c1ccc(COCCCCC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208810266 1035032140 /nfs/dbraw/zinc/03/21/40/1035032140.db2.gz GBEXGLLUXFZJOW-ZRZAMGCNSA-N 2 2 379.548 3.832 20 0 GHADLP c1ccc(COCCCCC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208810266 1035032150 /nfs/dbraw/zinc/03/21/50/1035032150.db2.gz GBEXGLLUXFZJOW-ZRZAMGCNSA-N 2 2 379.548 3.832 20 0 GHADLP c1ccc(COCCCCC[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208810266 1035032157 /nfs/dbraw/zinc/03/21/57/1035032157.db2.gz GBEXGLLUXFZJOW-ZRZAMGCNSA-N 2 2 379.548 3.832 20 0 GHADLP CCOC(=O)c1ccc(CCC[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001208871945 1035070210 /nfs/dbraw/zinc/07/02/10/1035070210.db2.gz VIAJUIVKERNMDZ-OYRHEFFESA-N 2 2 396.531 3.843 20 0 GHADLP CCOC(=O)c1ccc(CCC[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001208871945 1035070217 /nfs/dbraw/zinc/07/02/17/1035070217.db2.gz VIAJUIVKERNMDZ-OYRHEFFESA-N 2 2 396.531 3.843 20 0 GHADLP CCOC(=O)c1ccc(CCC[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cc1 ZINC001208871945 1035070225 /nfs/dbraw/zinc/07/02/25/1035070225.db2.gz VIAJUIVKERNMDZ-OYRHEFFESA-N 2 2 396.531 3.843 20 0 GHADLP CCOC(=O)c1ccc(CCC[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cc1 ZINC001208871945 1035070232 /nfs/dbraw/zinc/07/02/32/1035070232.db2.gz VIAJUIVKERNMDZ-OYRHEFFESA-N 2 2 396.531 3.843 20 0 GHADLP CN(CCCC1c2ccccc2C=Cc2ccccc21)C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160921865 1035094419 /nfs/dbraw/zinc/09/44/19/1035094419.db2.gz PDKZDQFLDBLEMJ-UHFFFAOYSA-N 2 2 389.543 3.622 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4noc5ccccc54)CC3)C2)cc1 ZINC001208932899 1035097818 /nfs/dbraw/zinc/09/78/18/1035097818.db2.gz SDFXXQQCLQHHNT-OAQYLSRUSA-N 2 2 390.531 3.862 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4noc5ccccc54)CC3)C2)cc1 ZINC001208932899 1035097827 /nfs/dbraw/zinc/09/78/27/1035097827.db2.gz SDFXXQQCLQHHNT-OAQYLSRUSA-N 2 2 390.531 3.862 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208937308 1035104514 /nfs/dbraw/zinc/10/45/14/1035104514.db2.gz RRUYATICJZVZTA-BHDDXSALSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208937308 1035104520 /nfs/dbraw/zinc/10/45/20/1035104520.db2.gz RRUYATICJZVZTA-BHDDXSALSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[NH+]2C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208937308 1035104526 /nfs/dbraw/zinc/10/45/26/1035104526.db2.gz RRUYATICJZVZTA-BHDDXSALSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[NH+]2C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208937308 1035104531 /nfs/dbraw/zinc/10/45/31/1035104531.db2.gz RRUYATICJZVZTA-BHDDXSALSA-N 2 2 399.579 3.982 20 0 GHADLP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC001208945349 1035114740 /nfs/dbraw/zinc/11/47/40/1035114740.db2.gz NAZJMSKGTPRQSC-QTJGBDASSA-N 2 2 379.548 3.759 20 0 GHADLP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC001208945349 1035114744 /nfs/dbraw/zinc/11/47/44/1035114744.db2.gz NAZJMSKGTPRQSC-QTJGBDASSA-N 2 2 379.548 3.759 20 0 GHADLP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[NH+]3C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001208945349 1035114751 /nfs/dbraw/zinc/11/47/51/1035114751.db2.gz NAZJMSKGTPRQSC-QTJGBDASSA-N 2 2 379.548 3.759 20 0 GHADLP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[NH+]3C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001208945349 1035114756 /nfs/dbraw/zinc/11/47/56/1035114756.db2.gz NAZJMSKGTPRQSC-QTJGBDASSA-N 2 2 379.548 3.759 20 0 GHADLP FC1(F)CN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@@H]1[NH+]1CCCC1 ZINC001208948268 1035118411 /nfs/dbraw/zinc/11/84/11/1035118411.db2.gz PFOXYGHJAXFXMQ-RTWAWAEBSA-N 2 2 377.523 3.704 20 0 GHADLP FC1(F)CN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1[NH+]1CCCC1 ZINC001208948268 1035118412 /nfs/dbraw/zinc/11/84/12/1035118412.db2.gz PFOXYGHJAXFXMQ-RTWAWAEBSA-N 2 2 377.523 3.704 20 0 GHADLP FC1(F)CN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@@H]1[NH+]1CCCCC1 ZINC001208961460 1035133226 /nfs/dbraw/zinc/13/32/26/1035133226.db2.gz FWKKNHCSGWRSCJ-SFTDATJTSA-N 2 2 377.523 3.704 20 0 GHADLP FC1(F)CN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1[NH+]1CCCCC1 ZINC001208961460 1035133227 /nfs/dbraw/zinc/13/32/27/1035133227.db2.gz FWKKNHCSGWRSCJ-SFTDATJTSA-N 2 2 377.523 3.704 20 0 GHADLP CCOC(=O)C[NH+]1CCC(Nc2[nH+]ccc3c2ccn3Cc2ccccc2)CC1 ZINC001161085660 1035137284 /nfs/dbraw/zinc/13/72/84/1035137284.db2.gz HVFLDMZNEGAWQH-UHFFFAOYSA-N 2 2 392.503 3.524 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]1C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001208999740 1035143055 /nfs/dbraw/zinc/14/30/55/1035143055.db2.gz RZUYRWYMSCVRST-NRFANRHFSA-N 2 2 385.552 3.519 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]1C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001208999740 1035143058 /nfs/dbraw/zinc/14/30/58/1035143058.db2.gz RZUYRWYMSCVRST-NRFANRHFSA-N 2 2 385.552 3.519 20 0 GHADLP FC1(F)CC[N@H+](CCc2cccs2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001209224663 1035210860 /nfs/dbraw/zinc/21/08/60/1035210860.db2.gz JOCLMEDYRCIIGC-IBGZPJMESA-N 2 2 377.504 3.919 20 0 GHADLP FC1(F)CC[N@@H+](CCc2cccs2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001209224663 1035210865 /nfs/dbraw/zinc/21/08/65/1035210865.db2.gz JOCLMEDYRCIIGC-IBGZPJMESA-N 2 2 377.504 3.919 20 0 GHADLP FC1(F)CC[NH+](CCc2cccs2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001209224663 1035210870 /nfs/dbraw/zinc/21/08/70/1035210870.db2.gz JOCLMEDYRCIIGC-IBGZPJMESA-N 2 2 377.504 3.919 20 0 GHADLP FC1(F)CC[NH+](CCc2cccs2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001209224663 1035210874 /nfs/dbraw/zinc/21/08/74/1035210874.db2.gz JOCLMEDYRCIIGC-IBGZPJMESA-N 2 2 377.504 3.919 20 0 GHADLP COc1ccc(Cn2c[nH+]cc2CNc2ccc(C[N@H+](C)C3CC3)cn2)cc1 ZINC001161512485 1035245924 /nfs/dbraw/zinc/24/59/24/1035245924.db2.gz OXNIFASQOVZONG-UHFFFAOYSA-N 2 2 377.492 3.541 20 0 GHADLP COc1ccc(Cn2c[nH+]cc2CNc2ccc(C[N@@H+](C)C3CC3)cn2)cc1 ZINC001161512485 1035245926 /nfs/dbraw/zinc/24/59/26/1035245926.db2.gz OXNIFASQOVZONG-UHFFFAOYSA-N 2 2 377.492 3.541 20 0 GHADLP CC[C@H](C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1)NC(=O)OC(C)(C)C ZINC001209467840 1035282586 /nfs/dbraw/zinc/28/25/86/1035282586.db2.gz FARMKAAWPBKLBN-HXUWFJFHSA-N 2 2 387.568 3.812 20 0 GHADLP CC[C@H](C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1)NC(=O)OC(C)(C)C ZINC001209467840 1035282591 /nfs/dbraw/zinc/28/25/91/1035282591.db2.gz FARMKAAWPBKLBN-HXUWFJFHSA-N 2 2 387.568 3.812 20 0 GHADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC001161860837 1035316928 /nfs/dbraw/zinc/31/69/28/1035316928.db2.gz BVIGLULIUWSQPZ-NRFANRHFSA-N 2 2 382.508 3.758 20 0 GHADLP C[NH2+][C@@H](COC(C)(C)C)c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001248223731 1035657526 /nfs/dbraw/zinc/65/75/26/1035657526.db2.gz ZLLBNXQBBLFYNU-ZWKOTPCHSA-N 2 2 399.470 3.683 20 0 GHADLP Fc1ccc(C[NH+]2CCOCC2)c(-c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)c1 ZINC001243083171 1036026899 /nfs/dbraw/zinc/02/68/99/1036026899.db2.gz DAYPODQKJQXZGP-UHFFFAOYSA-N 2 2 380.507 3.892 20 0 GHADLP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1C(F)(F)F ZINC001244597817 1036556884 /nfs/dbraw/zinc/55/68/84/1036556884.db2.gz FZPVEAQCLKADMZ-INIZCTEOSA-N 2 2 378.394 3.692 20 0 GHADLP COC(=O)c1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1C(F)(F)F ZINC001244597817 1036556894 /nfs/dbraw/zinc/55/68/94/1036556894.db2.gz FZPVEAQCLKADMZ-INIZCTEOSA-N 2 2 378.394 3.692 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246288907 1037279088 /nfs/dbraw/zinc/27/90/88/1037279088.db2.gz HXYFWAFEVDRLRP-RPBOFIJWSA-N 3 2 377.576 3.646 20 0 GHADLP Ic1ccccc1C[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246323378 1037293741 /nfs/dbraw/zinc/29/37/41/1037293741.db2.gz JDWURZAWFXHFJB-HNNXBMFYSA-N 2 2 384.305 3.836 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CC[NH2+]1 ZINC001246331113 1037298496 /nfs/dbraw/zinc/29/84/96/1037298496.db2.gz HRUZXRIKVNIYDT-UNMCSNQZSA-N 3 2 385.527 3.657 20 0 GHADLP CCC[NH+]1CCC([NH2+]C2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)CC1 ZINC001246390821 1037349772 /nfs/dbraw/zinc/34/97/72/1037349772.db2.gz USGPVEJXZZPPHP-UHFFFAOYSA-N 3 2 383.502 3.834 20 0 GHADLP FC(F)(F)c1ccccc1CC1([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]CC1 ZINC001246391246 1037352709 /nfs/dbraw/zinc/35/27/09/1037352709.db2.gz VLOQJJBPVLKALR-KRWDZBQOSA-N 3 2 381.486 3.634 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001246628065 1037515567 /nfs/dbraw/zinc/51/55/67/1037515567.db2.gz ACFXOCLXFBGMPW-UHFFFAOYSA-N 3 2 385.596 3.783 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001246628065 1037515578 /nfs/dbraw/zinc/51/55/78/1037515578.db2.gz ACFXOCLXFBGMPW-UHFFFAOYSA-N 3 2 385.596 3.783 20 0 GHADLP Cc1cccc(N2CCC[C@]3(C2)C[N@@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CCO3)c1 ZINC001246715480 1037567163 /nfs/dbraw/zinc/56/71/63/1037567163.db2.gz BUQZZCSQTRXDKV-AKFKNWHVSA-N 2 2 385.596 3.833 20 0 GHADLP Cc1cccc(N2CCC[C@]3(C2)C[N@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CCO3)c1 ZINC001246715480 1037567180 /nfs/dbraw/zinc/56/71/80/1037567180.db2.gz BUQZZCSQTRXDKV-AKFKNWHVSA-N 2 2 385.596 3.833 20 0 GHADLP Clc1cccc(C[NH+]2CCN([C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)c1 ZINC001246784780 1037623039 /nfs/dbraw/zinc/62/30/39/1037623039.db2.gz ZZJDOQXERYKFQD-DHIUTWEWSA-N 2 2 383.967 3.821 20 0 GHADLP Clc1cccc(CN2CC[NH+]([C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)c1 ZINC001246784780 1037623058 /nfs/dbraw/zinc/62/30/58/1037623058.db2.gz ZZJDOQXERYKFQD-DHIUTWEWSA-N 2 2 383.967 3.821 20 0 GHADLP C[C@@H]1CC[C@H](N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C[NH2+]1 ZINC001246793422 1037632673 /nfs/dbraw/zinc/63/26/73/1037632673.db2.gz YTOZKZYRLXSCSC-VGSWGCGISA-N 2 2 385.502 3.812 20 0 GHADLP c1ccc(C[C@@H]2C[C@H]([N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246830521 1037659739 /nfs/dbraw/zinc/65/97/39/1037659739.db2.gz VKJSSFIPCZVEGA-CYXNTTPDSA-N 3 2 389.587 3.948 20 0 GHADLP c1ccc(C[C@@H]2C[C@H]([N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246830521 1037659760 /nfs/dbraw/zinc/65/97/60/1037659760.db2.gz VKJSSFIPCZVEGA-CYXNTTPDSA-N 3 2 389.587 3.948 20 0 GHADLP c1ccc(C[C@@H]2C[C@H]([NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246830521 1037659771 /nfs/dbraw/zinc/65/97/71/1037659771.db2.gz VKJSSFIPCZVEGA-CYXNTTPDSA-N 3 2 389.587 3.948 20 0 GHADLP c1ccc(C[C@@H]2C[C@H]([NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246830521 1037659794 /nfs/dbraw/zinc/65/97/94/1037659794.db2.gz VKJSSFIPCZVEGA-CYXNTTPDSA-N 3 2 389.587 3.948 20 0 GHADLP COc1cc(N2CC[NH+]([C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)ccc1Cl ZINC001246887275 1037701369 /nfs/dbraw/zinc/70/13/69/1037701369.db2.gz LEXIVIDFXKYEEN-CTNGQTDRSA-N 2 2 399.966 3.834 20 0 GHADLP CC(C)(C)[C@H]1C[C@H]([NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC001246891920 1037705173 /nfs/dbraw/zinc/70/51/73/1037705173.db2.gz NYUCFUBONHSVCN-RTBURBONSA-N 2 2 383.502 3.990 20 0 GHADLP c1ccc(C[NH+](Cc2ccccc2)C2CCC([N@@H+]3C[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC001246922315 1037728701 /nfs/dbraw/zinc/72/87/01/1037728701.db2.gz VRGBIXOHDOWWQN-AATYUJHQSA-N 3 2 375.560 3.904 20 0 GHADLP c1ccc(C[NH+](Cc2ccccc2)C2CCC([N@H+]3C[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC001246922315 1037728713 /nfs/dbraw/zinc/72/87/13/1037728713.db2.gz VRGBIXOHDOWWQN-AATYUJHQSA-N 3 2 375.560 3.904 20 0 GHADLP O=C(c1ccccc1)N1CCC([N@@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246932944 1037734882 /nfs/dbraw/zinc/73/48/82/1037734882.db2.gz DNVGJPYISMFDDK-QHCPKHFHSA-N 2 2 395.522 3.685 20 0 GHADLP O=C(c1ccccc1)N1CCC([N@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246932944 1037734899 /nfs/dbraw/zinc/73/48/99/1037734899.db2.gz DNVGJPYISMFDDK-QHCPKHFHSA-N 2 2 395.522 3.685 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](Oc3nccnc3C)C2)CC[NH2+]1 ZINC001246957143 1037769743 /nfs/dbraw/zinc/76/97/43/1037769743.db2.gz AGDILZSSYOJFHM-SBHAEUEKSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Oc3nccnc3C)C2)CC[NH2+]1 ZINC001246957143 1037769765 /nfs/dbraw/zinc/76/97/65/1037769765.db2.gz AGDILZSSYOJFHM-SBHAEUEKSA-N 2 2 384.499 3.569 20 0 GHADLP COC(=O)CC1CCC([N@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246959732 1037776978 /nfs/dbraw/zinc/77/69/78/1037776978.db2.gz XZRQBUGREATCKN-UHFFFAOYSA-N 2 2 398.469 3.780 20 0 GHADLP COC(=O)CC1CCC([N@@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246959732 1037776999 /nfs/dbraw/zinc/77/69/99/1037776999.db2.gz XZRQBUGREATCKN-UHFFFAOYSA-N 2 2 398.469 3.780 20 0 GHADLP Cc1ccc(-c2noc([C@@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)c2ccccc12 ZINC001247128414 1037937034 /nfs/dbraw/zinc/93/70/34/1037937034.db2.gz VTOOYQLXRXZYSA-IBGZPJMESA-N 2 2 385.471 3.813 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3nc4ccccc4o3)C[C@@H]21 ZINC001232557837 1038324762 /nfs/dbraw/zinc/32/47/62/1038324762.db2.gz KDKUIDKFZIEDBR-HFSMHLIXSA-N 2 2 376.504 3.955 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3nc4ccccc4o3)C[C@@H]21 ZINC001232557837 1038324771 /nfs/dbraw/zinc/32/47/71/1038324771.db2.gz KDKUIDKFZIEDBR-HFSMHLIXSA-N 2 2 376.504 3.955 20 0 GHADLP c1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4nc5ccccc5o4)CC3)C2)cc1 ZINC001232557762 1038325904 /nfs/dbraw/zinc/32/59/04/1038325904.db2.gz HUAOOFSVKKMWSY-UHFFFAOYSA-N 2 2 377.488 3.695 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3ccc(-c4ccc(F)cc4)cn3)no2)cc1 ZINC001247699254 1038339478 /nfs/dbraw/zinc/33/94/78/1038339478.db2.gz WQNBXOMHTUTLGI-GOSISDBHSA-N 2 2 375.407 3.563 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3ccc(OC(F)(F)F)c(Cl)c3)no2)cc1 ZINC001247702372 1038340017 /nfs/dbraw/zinc/34/00/17/1038340017.db2.gz WNGNCXQNKNSBRE-CYBMUJFWSA-N 2 2 398.772 3.914 20 0 GHADLP CCc1cc(Br)ccc1-c1noc([C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001247867897 1038437498 /nfs/dbraw/zinc/43/74/98/1038437498.db2.gz KMCYTGUGVPVNNL-OAHLLOKOSA-N 2 2 391.313 3.608 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)ccn1 ZINC001232769588 1038543537 /nfs/dbraw/zinc/54/35/37/1038543537.db2.gz JTESPBHEZZIYAW-HFSMHLIXSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)ccn1 ZINC001232769588 1038543545 /nfs/dbraw/zinc/54/35/45/1038543545.db2.gz JTESPBHEZZIYAW-HFSMHLIXSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)ccn1 ZINC001232769588 1038543556 /nfs/dbraw/zinc/54/35/56/1038543556.db2.gz JTESPBHEZZIYAW-HFSMHLIXSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)ccn1 ZINC001232769588 1038543566 /nfs/dbraw/zinc/54/35/66/1038543566.db2.gz JTESPBHEZZIYAW-HFSMHLIXSA-N 2 2 399.560 3.662 20 0 GHADLP COc1ncc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c2ccccc21 ZINC001232949772 1038727092 /nfs/dbraw/zinc/72/70/92/1038727092.db2.gz ZUCNLPJTONURKH-ROUUACIJSA-N 2 2 379.529 3.869 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ncc3O)C[C@H]21 ZINC001233035619 1038792274 /nfs/dbraw/zinc/79/22/74/1038792274.db2.gz HBQMVYCPMBZITB-ATZDWAIDSA-N 2 2 386.927 3.568 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ncc3O)C[C@H]21 ZINC001233035619 1038792290 /nfs/dbraw/zinc/79/22/90/1038792290.db2.gz HBQMVYCPMBZITB-ATZDWAIDSA-N 2 2 386.927 3.568 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ncc3O)C[C@H]21 ZINC001233035619 1038792300 /nfs/dbraw/zinc/79/23/00/1038792300.db2.gz HBQMVYCPMBZITB-ATZDWAIDSA-N 2 2 386.927 3.568 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ncc3O)C[C@H]21 ZINC001233035619 1038792313 /nfs/dbraw/zinc/79/23/13/1038792313.db2.gz HBQMVYCPMBZITB-ATZDWAIDSA-N 2 2 386.927 3.568 20 0 GHADLP O[C@@H](C[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1)c1ccc(F)cc1 ZINC001252846635 1039205405 /nfs/dbraw/zinc/20/54/05/1039205405.db2.gz RCFZERZVJDHGRV-NRFANRHFSA-N 2 2 377.419 3.866 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(F)c(F)cc3N)C[C@@H]21 ZINC001233380628 1039206731 /nfs/dbraw/zinc/20/67/31/1039206731.db2.gz XUBSQPAQDLYWKT-FXCLAUTBSA-N 2 2 386.490 3.675 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(F)c(F)cc3N)C[C@@H]21 ZINC001233380628 1039206750 /nfs/dbraw/zinc/20/67/50/1039206750.db2.gz XUBSQPAQDLYWKT-FXCLAUTBSA-N 2 2 386.490 3.675 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3N)C[C@@H]21 ZINC001233380628 1039206761 /nfs/dbraw/zinc/20/67/61/1039206761.db2.gz XUBSQPAQDLYWKT-FXCLAUTBSA-N 2 2 386.490 3.675 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3N)C[C@@H]21 ZINC001233380628 1039206776 /nfs/dbraw/zinc/20/67/76/1039206776.db2.gz XUBSQPAQDLYWKT-FXCLAUTBSA-N 2 2 386.490 3.675 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccc(C(F)(F)F)cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC001252945776 1039289760 /nfs/dbraw/zinc/28/97/60/1039289760.db2.gz IBOKOMYHIWLBGL-LJQANCHMSA-N 2 2 382.401 3.571 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccc(C(F)(F)F)cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC001252945776 1039289768 /nfs/dbraw/zinc/28/97/68/1039289768.db2.gz IBOKOMYHIWLBGL-LJQANCHMSA-N 2 2 382.401 3.571 20 0 GHADLP Cc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c(OCc2ccccc2)c1 ZINC001233646292 1039504445 /nfs/dbraw/zinc/50/44/45/1039504445.db2.gz NYKIARIXXKWHRB-UHFFFAOYSA-N 2 2 393.575 3.787 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@@H+]2CCSC[C@@H]2C2CCC2)c2c1OC(F)(F)O2 ZINC001462388949 1070220758 /nfs/dbraw/zinc/22/07/58/1070220758.db2.gz TWARJDCBMREQMT-MRXNPFEDSA-N 2 2 384.492 3.787 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@H+]2CCSC[C@@H]2C2CCC2)c2c1OC(F)(F)O2 ZINC001462388949 1070220766 /nfs/dbraw/zinc/22/07/66/1070220766.db2.gz TWARJDCBMREQMT-MRXNPFEDSA-N 2 2 384.492 3.787 20 0 GHADLP COc1cc(C[N@H+](C)CCc2cccc(C(F)(F)F)n2)ccc1-n1cc[nH+]c1 ZINC001234034117 1039775387 /nfs/dbraw/zinc/77/53/87/1039775387.db2.gz YGOFKLRLBXALFN-UHFFFAOYSA-N 2 2 390.409 3.969 20 0 GHADLP COc1cc(C[N@@H+](C)CCc2cccc(C(F)(F)F)n2)ccc1-n1cc[nH+]c1 ZINC001234034117 1039775401 /nfs/dbraw/zinc/77/54/01/1039775401.db2.gz YGOFKLRLBXALFN-UHFFFAOYSA-N 2 2 390.409 3.969 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)no3)C2)ccc1-n1cc[nH+]c1 ZINC001234075771 1039813055 /nfs/dbraw/zinc/81/30/55/1039813055.db2.gz NTSIFLAECULOII-QGZVFWFLSA-N 2 2 381.480 3.767 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@H](c3nc(C(C)C)no3)C2)ccc1-n1cc[nH+]c1 ZINC001234075771 1039813086 /nfs/dbraw/zinc/81/30/86/1039813086.db2.gz NTSIFLAECULOII-QGZVFWFLSA-N 2 2 381.480 3.767 20 0 GHADLP COC(=O)[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)[C@H]1c1ccccc1 ZINC001234097098 1039836930 /nfs/dbraw/zinc/83/69/30/1039836930.db2.gz VCIXAJYHIQOETH-UGKGYDQZSA-N 2 2 391.471 3.617 20 0 GHADLP COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)[C@H]1c1ccccc1 ZINC001234097098 1039836954 /nfs/dbraw/zinc/83/69/54/1039836954.db2.gz VCIXAJYHIQOETH-UGKGYDQZSA-N 2 2 391.471 3.617 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001462427546 1070245646 /nfs/dbraw/zinc/24/56/46/1070245646.db2.gz KMWZCYDCIRTAIY-ROUUACIJSA-N 2 2 379.976 3.787 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C3CCC(F)(F)CC3)CC2)C1 ZINC001254232817 1040083551 /nfs/dbraw/zinc/08/35/51/1040083551.db2.gz YZVCSMFJBLWSIS-HNNXBMFYSA-N 2 2 387.515 3.628 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C3CCC(F)(F)CC3)CC2)C1 ZINC001254232817 1040083571 /nfs/dbraw/zinc/08/35/71/1040083571.db2.gz YZVCSMFJBLWSIS-HNNXBMFYSA-N 2 2 387.515 3.628 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001254313184 1040166170 /nfs/dbraw/zinc/16/61/70/1040166170.db2.gz GRCYKHGDSFYHDN-MSOLQXFVSA-N 2 2 375.513 3.633 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001254313184 1040166181 /nfs/dbraw/zinc/16/61/81/1040166181.db2.gz GRCYKHGDSFYHDN-MSOLQXFVSA-N 2 2 375.513 3.633 20 0 GHADLP Cc1cc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)ccc1OCc1ccccc1 ZINC001235009504 1040498575 /nfs/dbraw/zinc/49/85/75/1040498575.db2.gz WDHHTHSDFDTIRQ-DEOSSOPVSA-N 2 2 380.532 3.776 20 0 GHADLP Cc1cc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)ccc1OCc1ccccc1 ZINC001235009504 1040498591 /nfs/dbraw/zinc/49/85/91/1040498591.db2.gz WDHHTHSDFDTIRQ-DEOSSOPVSA-N 2 2 380.532 3.776 20 0 GHADLP Cc1[nH+]c2c(n1[C@@H]1CCC3(C1)CCN(C(=O)OC(C)(C)C)CC3)CC[NH2+]CC2 ZINC001254752400 1040512905 /nfs/dbraw/zinc/51/29/05/1040512905.db2.gz UPSQEMKRCKVDCC-QGZVFWFLSA-N 2 2 388.556 3.622 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(-n3ccnc3)c(Br)c2)CC1 ZINC001235029905 1040521489 /nfs/dbraw/zinc/52/14/89/1040521489.db2.gz LIJYXSJAEIOFPD-UHFFFAOYSA-N 2 2 377.330 3.551 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-n3ccnc3)c(Br)c2)CC1 ZINC001235029905 1040521507 /nfs/dbraw/zinc/52/15/07/1040521507.db2.gz LIJYXSJAEIOFPD-UHFFFAOYSA-N 2 2 377.330 3.551 20 0 GHADLP Cc1nnc(-c2ccc(C[N@@H+]3C[C@H]4C[C@H](C[NH+](Cc5ccco5)C4)C3)cc2)o1 ZINC001235048151 1040539520 /nfs/dbraw/zinc/53/95/20/1040539520.db2.gz KAPJQMJWPQLCDG-KDURUIRLSA-N 2 2 378.476 3.592 20 0 GHADLP Cc1nnc(-c2ccc(C[N@H+]3C[C@H]4C[C@H](C[NH+](Cc5ccco5)C4)C3)cc2)o1 ZINC001235048151 1040539540 /nfs/dbraw/zinc/53/95/40/1040539540.db2.gz KAPJQMJWPQLCDG-KDURUIRLSA-N 2 2 378.476 3.592 20 0 GHADLP Cc1nnc(-c2ccc(C[NH+]3C[C@H]4C[C@@H](C3)C[N@H+](Cc3ccco3)C4)cc2)o1 ZINC001235048151 1040539544 /nfs/dbraw/zinc/53/95/44/1040539544.db2.gz KAPJQMJWPQLCDG-KDURUIRLSA-N 2 2 378.476 3.592 20 0 GHADLP Cc1nnc(-c2ccc(C[NH+]3C[C@H]4C[C@@H](C3)C[N@@H+](Cc3ccco3)C4)cc2)o1 ZINC001235048151 1040539559 /nfs/dbraw/zinc/53/95/59/1040539559.db2.gz KAPJQMJWPQLCDG-KDURUIRLSA-N 2 2 378.476 3.592 20 0 GHADLP c1cncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(Oc5cccnc5)cc4)C[C@H]3C2)c1 ZINC001235111828 1040596716 /nfs/dbraw/zinc/59/67/16/1040596716.db2.gz ZSTJDRCQZCORIY-SZPZYZBQSA-N 2 2 386.499 3.833 20 0 GHADLP c1cncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(Oc5cccnc5)cc4)C[C@H]3C2)c1 ZINC001235111828 1040596729 /nfs/dbraw/zinc/59/67/29/1040596729.db2.gz ZSTJDRCQZCORIY-SZPZYZBQSA-N 2 2 386.499 3.833 20 0 GHADLP c1cncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(Oc5cccnc5)cc4)C[C@H]3C2)c1 ZINC001235111828 1040596750 /nfs/dbraw/zinc/59/67/50/1040596750.db2.gz ZSTJDRCQZCORIY-SZPZYZBQSA-N 2 2 386.499 3.833 20 0 GHADLP c1cncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(Oc5cccnc5)cc4)C[C@H]3C2)c1 ZINC001235111828 1040596759 /nfs/dbraw/zinc/59/67/59/1040596759.db2.gz ZSTJDRCQZCORIY-SZPZYZBQSA-N 2 2 386.499 3.833 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@]12CCC[N@@H+]([C@@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254854705 1040598554 /nfs/dbraw/zinc/59/85/54/1040598554.db2.gz HIURPAQUQJMOPO-DENIHFKCSA-N 2 2 377.573 3.726 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@]12CCC[N@H+]([C@@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254854705 1040598569 /nfs/dbraw/zinc/59/85/69/1040598569.db2.gz HIURPAQUQJMOPO-DENIHFKCSA-N 2 2 377.573 3.726 20 0 GHADLP O=C1CC2(CC[NH+]([C@H]3CC4CC[NH+](CC4)C3)CC2)c2ccccc2N1CC1CC1 ZINC001254859249 1040604365 /nfs/dbraw/zinc/60/43/65/1040604365.db2.gz KLTNZLDMPRFPEK-NRFANRHFSA-N 2 2 393.575 3.651 20 0 GHADLP CC(C)CN1c2ccccc2C2(CC[NH+]([C@H]3CC4CC[NH+](CC4)C3)CC2)CC1=O ZINC001254861290 1040605865 /nfs/dbraw/zinc/60/58/65/1040605865.db2.gz FUMPODXYWQZKJI-NRFANRHFSA-N 2 2 395.591 3.897 20 0 GHADLP Brc1ccc2c(c1)CC1(CC[NH+]([C@H]3CC4CC[NH+](CC4)C3)CC1)O2 ZINC001254868930 1040612766 /nfs/dbraw/zinc/61/27/66/1040612766.db2.gz RKZPCVMTZQSKOA-SFHVURJKSA-N 2 2 391.353 3.703 20 0 GHADLP Cn1c2ccccc2c(C[N@@H+]2CCOCC23CC[NH2+]CC3)c1-c1ccccc1 ZINC001235130180 1040623396 /nfs/dbraw/zinc/62/33/96/1040623396.db2.gz WEGAMJMDCSJGHB-UHFFFAOYSA-N 2 2 375.516 3.800 20 0 GHADLP Cn1c2ccccc2c(C[N@H+]2CCOCC23CC[NH2+]CC3)c1-c1ccccc1 ZINC001235130180 1040623418 /nfs/dbraw/zinc/62/34/18/1040623418.db2.gz WEGAMJMDCSJGHB-UHFFFAOYSA-N 2 2 375.516 3.800 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)C1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254879222 1040625255 /nfs/dbraw/zinc/62/52/55/1040625255.db2.gz DXUBDEXSNOVPKZ-UHFFFAOYSA-N 2 2 376.545 3.775 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)C1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254879222 1040625268 /nfs/dbraw/zinc/62/52/68/1040625268.db2.gz DXUBDEXSNOVPKZ-UHFFFAOYSA-N 2 2 376.545 3.775 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c(OCc2ccccc2)c1 ZINC001235400842 1040914830 /nfs/dbraw/zinc/91/48/30/1040914830.db2.gz FKXQNWKMALHVJB-GOTSBHOMSA-N 2 2 384.495 3.798 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c(OCc2ccccc2)c1 ZINC001235400842 1040914848 /nfs/dbraw/zinc/91/48/48/1040914848.db2.gz FKXQNWKMALHVJB-GOTSBHOMSA-N 2 2 384.495 3.798 20 0 GHADLP COc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235410110 1040920630 /nfs/dbraw/zinc/92/06/30/1040920630.db2.gz XSEKHIIBWSNKSA-XZOQPEGZSA-N 2 2 384.495 3.798 20 0 GHADLP COc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235410110 1040920635 /nfs/dbraw/zinc/92/06/35/1040920635.db2.gz XSEKHIIBWSNKSA-XZOQPEGZSA-N 2 2 384.495 3.798 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3c[nH]c4cnc(Cl)cc34)C2)C1 ZINC001235503606 1040964644 /nfs/dbraw/zinc/96/46/44/1040964644.db2.gz ZQXSOSSJNHGSDA-FQEVSTJZSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3c[nH]c4cnc(Cl)cc34)C2)C1 ZINC001235503606 1040964645 /nfs/dbraw/zinc/96/46/45/1040964645.db2.gz ZQXSOSSJNHGSDA-FQEVSTJZSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3c[nH]c4cnc(Cl)cc34)C2)C1 ZINC001235503606 1040964651 /nfs/dbraw/zinc/96/46/51/1040964651.db2.gz ZQXSOSSJNHGSDA-FQEVSTJZSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3c[nH]c4cnc(Cl)cc34)C2)C1 ZINC001235503606 1040964654 /nfs/dbraw/zinc/96/46/54/1040964654.db2.gz ZQXSOSSJNHGSDA-FQEVSTJZSA-N 2 2 376.932 3.539 20 0 GHADLP O=C(C[C@H]1CC2(CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)c2ccccc21)NC1CCC1 ZINC001235598333 1041013348 /nfs/dbraw/zinc/01/33/48/1041013348.db2.gz XMNZZYCVUYHVHP-PZJWPPBQSA-N 2 2 395.591 3.708 20 0 GHADLP COc1ccc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)cc1Cl ZINC001235645868 1041083519 /nfs/dbraw/zinc/08/35/19/1041083519.db2.gz JHNJECXMFLEZHN-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP COc1ccc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)cc1Cl ZINC001235645868 1041083539 /nfs/dbraw/zinc/08/35/39/1041083539.db2.gz JHNJECXMFLEZHN-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@@H]3[C@@H](C)C[NH2+]CC3(F)F)C[C@@H]21 ZINC001235659197 1041111902 /nfs/dbraw/zinc/11/19/02/1041111902.db2.gz CXVXJEUNYACOAU-KJRRRBQDSA-N 3 2 377.523 3.588 20 0 GHADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@@H]3[C@@H](C)C[NH2+]CC3(F)F)C[C@@H]21 ZINC001235659197 1041111914 /nfs/dbraw/zinc/11/19/14/1041111914.db2.gz CXVXJEUNYACOAU-KJRRRBQDSA-N 3 2 377.523 3.588 20 0 GHADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@@H]3[C@@H](C)C[NH2+]CC3(F)F)C[C@@H]21 ZINC001235659197 1041111918 /nfs/dbraw/zinc/11/19/18/1041111918.db2.gz CXVXJEUNYACOAU-KJRRRBQDSA-N 3 2 377.523 3.588 20 0 GHADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@@H]3[C@@H](C)C[NH2+]CC3(F)F)C[C@@H]21 ZINC001235659197 1041111921 /nfs/dbraw/zinc/11/19/21/1041111921.db2.gz CXVXJEUNYACOAU-KJRRRBQDSA-N 3 2 377.523 3.588 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCN(Cc2ccccc2)C[C@@H]1C ZINC001235716051 1041198788 /nfs/dbraw/zinc/19/87/88/1041198788.db2.gz XWSWQJLHXSRMRP-KRWDZBQOSA-N 2 2 384.593 3.625 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCN(Cc2ccccc2)C[C@@H]1C ZINC001235716051 1041198805 /nfs/dbraw/zinc/19/88/05/1041198805.db2.gz XWSWQJLHXSRMRP-KRWDZBQOSA-N 2 2 384.593 3.625 20 0 GHADLP C[N@H+](CCCC12CCC(c3ccccc31)c1ccccc12)C[C@@H]1C[NH2+]CCO1 ZINC001235864640 1041396784 /nfs/dbraw/zinc/39/67/84/1041396784.db2.gz JUUCZGVBBQPUDM-IXCHTMLJSA-N 2 2 376.544 3.912 20 0 GHADLP C[N@@H+](CCCC12CCC(c3ccccc31)c1ccccc12)C[C@@H]1C[NH2+]CCO1 ZINC001235864640 1041396799 /nfs/dbraw/zinc/39/67/99/1041396799.db2.gz JUUCZGVBBQPUDM-IXCHTMLJSA-N 2 2 376.544 3.912 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](CC(=O)OC)c1cccc(Br)c1 ZINC001255954509 1041435133 /nfs/dbraw/zinc/43/51/33/1041435133.db2.gz WWMIKXMIDMAAAZ-RHSMWYFYSA-N 2 2 385.346 3.763 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([N@H+](C2CCC2)C2CC[NH+](C3CC3)CC2)C1 ZINC001256081686 1041512529 /nfs/dbraw/zinc/51/25/29/1041512529.db2.gz CJEXSWCKPXHGGK-FQEVSTJZSA-N 2 2 377.573 3.867 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+](C2CCC2)C2CC[NH+](C3CC3)CC2)C1 ZINC001256081686 1041512542 /nfs/dbraw/zinc/51/25/42/1041512542.db2.gz CJEXSWCKPXHGGK-FQEVSTJZSA-N 2 2 377.573 3.867 20 0 GHADLP C[C@H]([C@@H](Oc1ccccc1)c1ccccc1)[N@H+](C)Cc1cnc2n1CC[NH2+]C2 ZINC001236161748 1041582849 /nfs/dbraw/zinc/58/28/49/1041582849.db2.gz RZIKAKOTFXPVMZ-WZONZLPQSA-N 2 2 376.504 3.627 20 0 GHADLP C[C@H]([C@@H](Oc1ccccc1)c1ccccc1)[N@@H+](C)Cc1cnc2n1CC[NH2+]C2 ZINC001236161748 1041582865 /nfs/dbraw/zinc/58/28/65/1041582865.db2.gz RZIKAKOTFXPVMZ-WZONZLPQSA-N 2 2 376.504 3.627 20 0 GHADLP C[N@H+](Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219508 1041627778 /nfs/dbraw/zinc/62/77/78/1041627778.db2.gz WZDLUSSAYGXHBR-UNMCSNQZSA-N 2 2 397.544 3.580 20 0 GHADLP C[N@@H+](Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219508 1041627784 /nfs/dbraw/zinc/62/77/84/1041627784.db2.gz WZDLUSSAYGXHBR-UNMCSNQZSA-N 2 2 397.544 3.580 20 0 GHADLP Cc1cc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc(C)c1I ZINC001236240814 1041640104 /nfs/dbraw/zinc/64/01/04/1041640104.db2.gz PGDKHZDWTRMXJB-INIZCTEOSA-N 2 2 384.305 3.624 20 0 GHADLP Cc1cc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc(C)c1I ZINC001236240814 1041640107 /nfs/dbraw/zinc/64/01/07/1041640107.db2.gz PGDKHZDWTRMXJB-INIZCTEOSA-N 2 2 384.305 3.624 20 0 GHADLP C[C@@H](c1ccc(-c2cccc(Cl)c2C[NH+]2CCOCC2)cc1)N1CC[NH2+]CC1 ZINC001236296290 1041663451 /nfs/dbraw/zinc/66/34/51/1041663451.db2.gz XYRNNBPGSZIFPN-SFHVURJKSA-N 2 2 399.966 3.805 20 0 GHADLP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](C(F)(F)F)C3)c2)cc1 ZINC001236353193 1041679600 /nfs/dbraw/zinc/67/96/00/1041679600.db2.gz FVHSETMQWMNHJM-OALUTQOASA-N 2 2 392.421 3.852 20 0 GHADLP COC(=O)c1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])[C@@H](C(F)(F)F)C3)c2)cc1 ZINC001236353193 1041679605 /nfs/dbraw/zinc/67/96/05/1041679605.db2.gz FVHSETMQWMNHJM-OALUTQOASA-N 2 2 392.421 3.852 20 0 GHADLP COc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(Br)c1O ZINC001236377338 1041688562 /nfs/dbraw/zinc/68/85/62/1041688562.db2.gz ZKTHJKAYHOYYKA-AWEZNQCLSA-N 2 2 397.357 3.908 20 0 GHADLP COc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(Br)c1O ZINC001236377338 1041688566 /nfs/dbraw/zinc/68/85/66/1041688566.db2.gz ZKTHJKAYHOYYKA-AWEZNQCLSA-N 2 2 397.357 3.908 20 0 GHADLP Cn1cc(-c2ccc(C[N@H+](C)C3CC[NH+](CCc4ccccn4)CC3)cc2)cn1 ZINC001256316486 1041700526 /nfs/dbraw/zinc/70/05/26/1041700526.db2.gz QIPZMGVCGKVPTQ-UHFFFAOYSA-N 2 2 389.547 3.621 20 0 GHADLP Cn1cc(-c2ccc(C[N@@H+](C)C3CC[NH+](CCc4ccccn4)CC3)cc2)cn1 ZINC001256316486 1041700532 /nfs/dbraw/zinc/70/05/32/1041700532.db2.gz QIPZMGVCGKVPTQ-UHFFFAOYSA-N 2 2 389.547 3.621 20 0 GHADLP COc1ccc(C[N@H+](Cc2cc(F)c(OC)c(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236442827 1041714110 /nfs/dbraw/zinc/71/41/10/1041714110.db2.gz RMBFPFIYIAOTLY-UHFFFAOYSA-N 2 2 376.447 3.736 20 0 GHADLP COc1ccc(C[N@@H+](Cc2cc(F)c(OC)c(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236442827 1041714117 /nfs/dbraw/zinc/71/41/17/1041714117.db2.gz RMBFPFIYIAOTLY-UHFFFAOYSA-N 2 2 376.447 3.736 20 0 GHADLP CCOc1cccc(C[N@H+](Cc2cccc(C(=O)OC)c2)C2CC[NH2+]CC2)c1 ZINC001236465898 1041728087 /nfs/dbraw/zinc/72/80/87/1041728087.db2.gz VLHMEJIUPUOTNF-UHFFFAOYSA-N 2 2 382.504 3.626 20 0 GHADLP CCOc1cccc(C[N@@H+](Cc2cccc(C(=O)OC)c2)C2CC[NH2+]CC2)c1 ZINC001236465898 1041728093 /nfs/dbraw/zinc/72/80/93/1041728093.db2.gz VLHMEJIUPUOTNF-UHFFFAOYSA-N 2 2 382.504 3.626 20 0 GHADLP COc1ccc(C[NH+](Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)cc1F ZINC001236517941 1041750728 /nfs/dbraw/zinc/75/07/28/1041750728.db2.gz VUCUIVLFIGYNHS-UHFFFAOYSA-N 2 2 376.447 3.736 20 0 GHADLP COc1ccc2n[nH]c(C[N@H+](Cc3ccc(F)cc3C)C3CC[NH2+]CC3)c2c1 ZINC001236522282 1041752149 /nfs/dbraw/zinc/75/21/49/1041752149.db2.gz QCRNLMNCMQPPAP-UHFFFAOYSA-N 2 2 382.483 3.773 20 0 GHADLP COc1ccc2n[nH]c(C[N@@H+](Cc3ccc(F)cc3C)C3CC[NH2+]CC3)c2c1 ZINC001236522282 1041752156 /nfs/dbraw/zinc/75/21/56/1041752156.db2.gz QCRNLMNCMQPPAP-UHFFFAOYSA-N 2 2 382.483 3.773 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@H+](C(C)C)[C@@H]3CC[NH2+]C3)c2n1 ZINC001236528997 1041754198 /nfs/dbraw/zinc/75/41/98/1041754198.db2.gz LWDSVXZZJOCING-CQSZACIVSA-N 2 2 378.314 3.578 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@@H+](C(C)C)[C@@H]3CC[NH2+]C3)c2n1 ZINC001236528997 1041754209 /nfs/dbraw/zinc/75/42/09/1041754209.db2.gz LWDSVXZZJOCING-CQSZACIVSA-N 2 2 378.314 3.578 20 0 GHADLP c1cc2c(cccc2C[NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)s1 ZINC001236690405 1041834175 /nfs/dbraw/zinc/83/41/75/1041834175.db2.gz QVUZTJIAJXMZPU-UHFFFAOYSA-N 2 2 379.533 3.614 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(F)c4ccoc43)CC2)CC1 ZINC001236896833 1041944682 /nfs/dbraw/zinc/94/46/82/1041944682.db2.gz PFPPHKDAPSMDCD-UHFFFAOYSA-N 2 2 388.483 3.811 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001236917815 1041957335 /nfs/dbraw/zinc/95/73/35/1041957335.db2.gz LGCDBZHVIIOXNN-UHFFFAOYSA-N 2 2 379.895 3.794 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001236917815 1041957341 /nfs/dbraw/zinc/95/73/41/1041957341.db2.gz LGCDBZHVIIOXNN-UHFFFAOYSA-N 2 2 379.895 3.794 20 0 GHADLP O=C1OC2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)CC2)c2cccnc21 ZINC001236918486 1041957860 /nfs/dbraw/zinc/95/78/60/1041957860.db2.gz KMGDEWYDVAGSSE-UHFFFAOYSA-N 2 2 394.862 3.582 20 0 GHADLP COCCC[N@H+](Cc1ccc(N(C)c2ccccc2OC)cc1)[C@@H]1CC[NH2+]C1 ZINC001236947861 1041967480 /nfs/dbraw/zinc/96/74/80/1041967480.db2.gz UNWOPWURQWIQOR-OAQYLSRUSA-N 2 2 383.536 3.664 20 0 GHADLP COCCC[N@@H+](Cc1ccc(N(C)c2ccccc2OC)cc1)[C@@H]1CC[NH2+]C1 ZINC001236947861 1041967482 /nfs/dbraw/zinc/96/74/82/1041967482.db2.gz UNWOPWURQWIQOR-OAQYLSRUSA-N 2 2 383.536 3.664 20 0 GHADLP C[NH+]1CCN(c2cc(C[NH+]3CCC(C(=O)c4ccccc4)CC3)ccc2F)CC1 ZINC001236966156 1041971951 /nfs/dbraw/zinc/97/19/51/1041971951.db2.gz DODMAJPGPCQXGJ-UHFFFAOYSA-N 2 2 395.522 3.672 20 0 GHADLP FC(F)(F)c1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)C[NH2+]CCO4)cc2)cc1 ZINC001237142724 1042061903 /nfs/dbraw/zinc/06/19/03/1042061903.db2.gz OZFATCRGQUUHKW-FQEVSTJZSA-N 2 2 376.422 3.937 20 0 GHADLP FC(F)(F)c1ccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CCO4)cc2)cc1 ZINC001237142724 1042061909 /nfs/dbraw/zinc/06/19/09/1042061909.db2.gz OZFATCRGQUUHKW-FQEVSTJZSA-N 2 2 376.422 3.937 20 0 GHADLP C[N@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)C1CC[NH+](C)CC1 ZINC001237162780 1042070409 /nfs/dbraw/zinc/07/04/09/1042070409.db2.gz ALUFXQLTBXGEBM-UHFFFAOYSA-N 2 2 381.236 3.874 20 0 GHADLP C[N@@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)C1CC[NH+](C)CC1 ZINC001237162780 1042070415 /nfs/dbraw/zinc/07/04/15/1042070415.db2.gz ALUFXQLTBXGEBM-UHFFFAOYSA-N 2 2 381.236 3.874 20 0 GHADLP Nc1ccc(OC(F)(F)F)cc1C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237289248 1042126426 /nfs/dbraw/zinc/12/64/26/1042126426.db2.gz OINJVRCVKZTQQQ-UHFFFAOYSA-N 2 2 391.437 3.804 20 0 GHADLP COc1cc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc2c1OCC=C2 ZINC001237300607 1042132920 /nfs/dbraw/zinc/13/29/20/1042132920.db2.gz NZJLCSQEWRZQDO-UHFFFAOYSA-N 2 2 376.500 3.738 20 0 GHADLP Fc1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c2ncccc12 ZINC001237431332 1042205387 /nfs/dbraw/zinc/20/53/87/1042205387.db2.gz KQPCBXXEPWPPAA-SIKLNZKXSA-N 2 2 383.511 3.697 20 0 GHADLP Fc1ccc(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c2ncccc12 ZINC001237431332 1042205396 /nfs/dbraw/zinc/20/53/96/1042205396.db2.gz KQPCBXXEPWPPAA-SIKLNZKXSA-N 2 2 383.511 3.697 20 0 GHADLP Fc1ccc(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c2ncccc12 ZINC001237431332 1042205405 /nfs/dbraw/zinc/20/54/05/1042205405.db2.gz KQPCBXXEPWPPAA-SIKLNZKXSA-N 2 2 383.511 3.697 20 0 GHADLP Fc1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)c2ncccc12 ZINC001237431332 1042205414 /nfs/dbraw/zinc/20/54/14/1042205414.db2.gz KQPCBXXEPWPPAA-SIKLNZKXSA-N 2 2 383.511 3.697 20 0 GHADLP COC(=O)Cc1cccc(C[NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)c1 ZINC001237489221 1042232481 /nfs/dbraw/zinc/23/24/81/1042232481.db2.gz HHVSAYLERIPGDD-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP COC(=O)Cc1cccc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)c1 ZINC001237489221 1042232483 /nfs/dbraw/zinc/23/24/83/1042232483.db2.gz HHVSAYLERIPGDD-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4C4CCOCC4)C[C@@H]3C2)nc1 ZINC001237901812 1042416114 /nfs/dbraw/zinc/41/61/14/1042416114.db2.gz RVIKFMNIPPMVHQ-FGZHOGPDSA-N 2 2 377.532 3.539 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(C)c(OCC)c3)CC2)CC1 ZINC001238068686 1042481290 /nfs/dbraw/zinc/48/12/90/1042481290.db2.gz RJOCEYUZOCQEDQ-UHFFFAOYSA-N 2 2 388.552 3.633 20 0 GHADLP COc1c(C)c[nH+]c(CN2CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)c1C ZINC001238174954 1042508632 /nfs/dbraw/zinc/50/86/32/1042508632.db2.gz CMWCWLTYMMHWKS-UHFFFAOYSA-N 2 2 399.510 3.627 20 0 GHADLP CC(C)Oc1cc(F)ccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001238693428 1042687953 /nfs/dbraw/zinc/68/79/53/1042687953.db2.gz STTURXSXZBTSFG-CTNGQTDRSA-N 2 2 383.511 3.962 20 0 GHADLP CC(C)Oc1cc(F)ccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001238693428 1042687956 /nfs/dbraw/zinc/68/79/56/1042687956.db2.gz STTURXSXZBTSFG-CTNGQTDRSA-N 2 2 383.511 3.962 20 0 GHADLP CC(C)Oc1cc(F)ccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001238693428 1042687961 /nfs/dbraw/zinc/68/79/61/1042687961.db2.gz STTURXSXZBTSFG-CTNGQTDRSA-N 2 2 383.511 3.962 20 0 GHADLP CC(C)Oc1cc(F)ccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001238693428 1042687963 /nfs/dbraw/zinc/68/79/63/1042687963.db2.gz STTURXSXZBTSFG-CTNGQTDRSA-N 2 2 383.511 3.962 20 0 GHADLP C[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2)nc1 ZINC001240449109 1042930168 /nfs/dbraw/zinc/93/01/68/1042930168.db2.gz BZCJNOBNHQPHEQ-HSZRJFAPSA-N 2 2 381.520 3.616 20 0 GHADLP C[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2)nc1 ZINC001240449109 1042930170 /nfs/dbraw/zinc/93/01/70/1042930170.db2.gz BZCJNOBNHQPHEQ-HSZRJFAPSA-N 2 2 381.520 3.616 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(OC)c1 ZINC001256535157 1043474074 /nfs/dbraw/zinc/47/40/74/1043474074.db2.gz DGCZQTJJFICLSZ-HARLFGEKSA-N 2 2 396.531 3.942 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(OC)c1 ZINC001256535157 1043474093 /nfs/dbraw/zinc/47/40/93/1043474093.db2.gz DGCZQTJJFICLSZ-HARLFGEKSA-N 2 2 396.531 3.942 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(OC)c1 ZINC001256535159 1043476183 /nfs/dbraw/zinc/47/61/83/1043476183.db2.gz DGCZQTJJFICLSZ-ZEYPLWLESA-N 2 2 396.531 3.942 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(OC)c1 ZINC001256535159 1043476187 /nfs/dbraw/zinc/47/61/87/1043476187.db2.gz DGCZQTJJFICLSZ-ZEYPLWLESA-N 2 2 396.531 3.942 20 0 GHADLP COc1cccc(N2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC001256539656 1043486628 /nfs/dbraw/zinc/48/66/28/1043486628.db2.gz YATNWFAVRURQKJ-NZQKXSOJSA-N 2 2 379.548 3.870 20 0 GHADLP COc1cccc(N2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC001256539656 1043486646 /nfs/dbraw/zinc/48/66/46/1043486646.db2.gz YATNWFAVRURQKJ-NZQKXSOJSA-N 2 2 379.548 3.870 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(OC3CCOCC3)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC001256540140 1043487911 /nfs/dbraw/zinc/48/79/11/1043487911.db2.gz XRSOBXVOQUYBMU-TZIWHRDSSA-N 2 2 395.547 3.782 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(OC3CCOCC3)ccn2)CC[N@H+]1Cc1ccccc1 ZINC001256540140 1043487927 /nfs/dbraw/zinc/48/79/27/1043487927.db2.gz XRSOBXVOQUYBMU-TZIWHRDSSA-N 2 2 395.547 3.782 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542715 1043496026 /nfs/dbraw/zinc/49/60/26/1043496026.db2.gz QHCPGLJWJABAJZ-ZDFPQIBNSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256542715 1043496036 /nfs/dbraw/zinc/49/60/36/1043496036.db2.gz QHCPGLJWJABAJZ-ZDFPQIBNSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256542715 1043496045 /nfs/dbraw/zinc/49/60/45/1043496045.db2.gz QHCPGLJWJABAJZ-ZDFPQIBNSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256542715 1043496052 /nfs/dbraw/zinc/49/60/52/1043496052.db2.gz QHCPGLJWJABAJZ-ZDFPQIBNSA-N 2 2 399.579 3.981 20 0 GHADLP Cc1cc(O[C@@H]2CCC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)ncn1 ZINC001256552265 1043516384 /nfs/dbraw/zinc/51/63/84/1043516384.db2.gz ABBUZCSANKTMFK-KSEOMHKRSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cc(O[C@@H]2CCC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)ncn1 ZINC001256552265 1043516395 /nfs/dbraw/zinc/51/63/95/1043516395.db2.gz ABBUZCSANKTMFK-KSEOMHKRSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)ncn1 ZINC001256552265 1043516399 /nfs/dbraw/zinc/51/63/99/1043516399.db2.gz ABBUZCSANKTMFK-KSEOMHKRSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)ncn1 ZINC001256552265 1043516407 /nfs/dbraw/zinc/51/64/07/1043516407.db2.gz ABBUZCSANKTMFK-KSEOMHKRSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cncnc1O[C@@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556945 1043528521 /nfs/dbraw/zinc/52/85/21/1043528521.db2.gz JINORXZGJGWEHX-ILWGZMRPSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cncnc1O[C@@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556945 1043528530 /nfs/dbraw/zinc/52/85/30/1043528530.db2.gz JINORXZGJGWEHX-ILWGZMRPSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cncnc1O[C@@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556945 1043528536 /nfs/dbraw/zinc/52/85/36/1043528536.db2.gz JINORXZGJGWEHX-ILWGZMRPSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cncnc1O[C@@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556945 1043528545 /nfs/dbraw/zinc/52/85/45/1043528545.db2.gz JINORXZGJGWEHX-ILWGZMRPSA-N 2 2 380.536 3.681 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CC(C)(CNC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256561422 1043536226 /nfs/dbraw/zinc/53/62/26/1043536226.db2.gz XSWUJHSNQRWSIE-ICSRJNTNSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CC(C)(CNC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256561422 1043536237 /nfs/dbraw/zinc/53/62/37/1043536237.db2.gz XSWUJHSNQRWSIE-ICSRJNTNSA-N 2 2 387.568 3.886 20 0 GHADLP COCC[N@H+](C)[C@H](CNC1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC001256568902 1043542158 /nfs/dbraw/zinc/54/21/58/1043542158.db2.gz KBUWYCSOZZFNRW-HXUWFJFHSA-N 2 2 381.992 3.812 20 0 GHADLP COCC[N@@H+](C)[C@H](CNC1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC001256568902 1043542164 /nfs/dbraw/zinc/54/21/64/1043542164.db2.gz KBUWYCSOZZFNRW-HXUWFJFHSA-N 2 2 381.992 3.812 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH+]2CCN(c3cccc(Br)c3)CC2)CC1 ZINC001256572955 1043546387 /nfs/dbraw/zinc/54/63/87/1043546387.db2.gz ANVGMTSXCKJLIA-UHFFFAOYSA-N 2 2 380.374 3.834 20 0 GHADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+]C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256585722 1043554676 /nfs/dbraw/zinc/55/46/76/1043554676.db2.gz PIUNFOFEPWFDAX-UHFFFAOYSA-N 2 2 396.554 3.748 20 0 GHADLP COCCOc1c(F)cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC001256602449 1043565697 /nfs/dbraw/zinc/56/56/97/1043565697.db2.gz WBBQIUCXKZIEPV-UHFFFAOYSA-N 2 2 390.474 3.744 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2C1CC[NH+](Cc2ccccc2)CC1 ZINC001256605093 1043569312 /nfs/dbraw/zinc/56/93/12/1043569312.db2.gz BFRCVZUISYCFAA-JBACZVJFSA-N 2 2 385.552 3.639 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@H+]2C1CC[NH+](Cc2ccccc2)CC1 ZINC001256605093 1043569320 /nfs/dbraw/zinc/56/93/20/1043569320.db2.gz BFRCVZUISYCFAA-JBACZVJFSA-N 2 2 385.552 3.639 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256894511 1043728437 /nfs/dbraw/zinc/72/84/37/1043728437.db2.gz KYCOWTDVEBQXER-JTUYAUNFSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256894511 1043728445 /nfs/dbraw/zinc/72/84/45/1043728445.db2.gz KYCOWTDVEBQXER-JTUYAUNFSA-N 2 2 377.573 3.629 20 0 GHADLP CCOC(=O)c1ccc(C[C@H](C)N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)cc1 ZINC001257169628 1043914020 /nfs/dbraw/zinc/91/40/20/1043914020.db2.gz GQDZDZMNRQPEFQ-INIZCTEOSA-N 2 2 385.483 3.587 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)CC2 ZINC001257755838 1044144200 /nfs/dbraw/zinc/14/42/00/1044144200.db2.gz PJQXIMRVXZRCMR-IBGZPJMESA-N 2 2 377.573 3.630 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)CC2 ZINC001257755838 1044144222 /nfs/dbraw/zinc/14/42/22/1044144222.db2.gz PJQXIMRVXZRCMR-IBGZPJMESA-N 2 2 377.573 3.630 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001257805151 1044187954 /nfs/dbraw/zinc/18/79/54/1044187954.db2.gz PSSPOPQXZMUWHL-XMSQKQJNSA-N 2 2 384.524 3.994 20 0 GHADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257972638 1044294836 /nfs/dbraw/zinc/29/48/36/1044294836.db2.gz HYTCBAUTZISUKR-YZGWKJHDSA-N 2 2 375.557 3.537 20 0 GHADLP CC(C)C[NH+]1CCC([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001258014226 1044341779 /nfs/dbraw/zinc/34/17/79/1044341779.db2.gz GEFXCGHOPPZAMX-OYDLWJJNSA-N 3 2 384.612 3.734 20 0 GHADLP CC(C)C[NH+]1CCC([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001258014226 1044341789 /nfs/dbraw/zinc/34/17/89/1044341789.db2.gz GEFXCGHOPPZAMX-OYDLWJJNSA-N 3 2 384.612 3.734 20 0 GHADLP CC(C)C[NH+]1CCC([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001258014226 1044341801 /nfs/dbraw/zinc/34/18/01/1044341801.db2.gz GEFXCGHOPPZAMX-OYDLWJJNSA-N 3 2 384.612 3.734 20 0 GHADLP CC(C)C[NH+]1CCC([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001258014226 1044341817 /nfs/dbraw/zinc/34/18/17/1044341817.db2.gz GEFXCGHOPPZAMX-OYDLWJJNSA-N 3 2 384.612 3.734 20 0 GHADLP Clc1ccccc1N1CCC([NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001258542280 1044618370 /nfs/dbraw/zinc/61/83/70/1044618370.db2.gz KITFQHXLUKUJGP-WOJBJXKFSA-N 2 2 396.966 3.768 20 0 GHADLP Clc1ccccc1N1CCC([N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001258543131 1044618394 /nfs/dbraw/zinc/61/83/94/1044618394.db2.gz MEEINWPCCYHYAS-KDURUIRLSA-N 2 2 396.966 3.768 20 0 GHADLP Clc1ccccc1N1CCC([N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001258543131 1044618399 /nfs/dbraw/zinc/61/83/99/1044618399.db2.gz MEEINWPCCYHYAS-KDURUIRLSA-N 2 2 396.966 3.768 20 0 GHADLP Clc1ccccc1N1CCC([NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001258543131 1044618412 /nfs/dbraw/zinc/61/84/12/1044618412.db2.gz MEEINWPCCYHYAS-KDURUIRLSA-N 2 2 396.966 3.768 20 0 GHADLP Clc1ccccc1N1CCC([NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001258543131 1044618422 /nfs/dbraw/zinc/61/84/22/1044618422.db2.gz MEEINWPCCYHYAS-KDURUIRLSA-N 2 2 396.966 3.768 20 0 GHADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000479048951 1044667381 /nfs/dbraw/zinc/66/73/81/1044667381.db2.gz AECHGCPDTUDBLY-IAGOWNOFSA-N 2 2 398.532 3.548 20 0 GHADLP O=C(c1ccccc1)N1CCC([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)CC1 ZINC001258638217 1044680716 /nfs/dbraw/zinc/68/07/16/1044680716.db2.gz ZYSBQCRDJDZLKX-DEOSSOPVSA-N 2 2 391.559 3.588 20 0 GHADLP C[C@H](C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@H]([NH3+])c1ccccc1 ZINC001261502746 1046011517 /nfs/dbraw/zinc/01/15/17/1046011517.db2.gz XDSWUOYZDRWXPU-AOMKIAJQSA-N 2 2 391.519 3.823 20 0 GHADLP CC(C)(CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1)n1cc[nH+]c1 ZINC001301547316 1046592236 /nfs/dbraw/zinc/59/22/36/1046592236.db2.gz IUAZSSXNCQRQHN-FCHUYYIVSA-N 2 2 394.563 3.673 20 0 GHADLP CC(C)(CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1)n1cc[nH+]c1 ZINC001301547316 1046592252 /nfs/dbraw/zinc/59/22/52/1046592252.db2.gz IUAZSSXNCQRQHN-FCHUYYIVSA-N 2 2 394.563 3.673 20 0 GHADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001303314863 1047357527 /nfs/dbraw/zinc/35/75/27/1047357527.db2.gz YLXGWPDAFGYJGR-RXVVDRJESA-N 2 2 375.532 3.686 20 0 GHADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(Cl)cccc1SC ZINC001279494848 1047824745 /nfs/dbraw/zinc/82/47/45/1047824745.db2.gz KSQMTHCJHMNLMY-MQVJKMGUSA-N 2 2 384.973 3.767 20 0 GHADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(Cl)cccc1SC ZINC001279494848 1047824751 /nfs/dbraw/zinc/82/47/51/1047824751.db2.gz KSQMTHCJHMNLMY-MQVJKMGUSA-N 2 2 384.973 3.767 20 0 GHADLP Cc1csc(C[N@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1Cl ZINC001279657927 1047901005 /nfs/dbraw/zinc/90/10/05/1047901005.db2.gz OYLUCFOFTRWQKF-CALCHBBNSA-N 3 2 378.973 3.750 20 0 GHADLP Cc1csc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1Cl ZINC001279657927 1047901015 /nfs/dbraw/zinc/90/10/15/1047901015.db2.gz OYLUCFOFTRWQKF-CALCHBBNSA-N 3 2 378.973 3.750 20 0 GHADLP Cc1csc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1Cl ZINC001279657927 1047901018 /nfs/dbraw/zinc/90/10/18/1047901018.db2.gz OYLUCFOFTRWQKF-CALCHBBNSA-N 3 2 378.973 3.750 20 0 GHADLP Cc1csc(C[NH+]2C[C@@H]3CC[N@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1Cl ZINC001279657927 1047901021 /nfs/dbraw/zinc/90/10/21/1047901021.db2.gz OYLUCFOFTRWQKF-CALCHBBNSA-N 3 2 378.973 3.750 20 0 GHADLP Oc1cc(Br)cc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001279679029 1047911720 /nfs/dbraw/zinc/91/17/20/1047911720.db2.gz NFGSYOHSVLILEN-UHFFFAOYSA-N 2 2 390.325 3.581 20 0 GHADLP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3F)C[C@H]2CC1 ZINC001279804691 1047955380 /nfs/dbraw/zinc/95/53/80/1047955380.db2.gz ZCADZRQWUWFJNA-GASCZTMLSA-N 2 2 388.358 3.838 20 0 GHADLP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3F)C[C@H]2CC1 ZINC001279804691 1047955382 /nfs/dbraw/zinc/95/53/82/1047955382.db2.gz ZCADZRQWUWFJNA-GASCZTMLSA-N 2 2 388.358 3.838 20 0 GHADLP CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)CC2)cc1 ZINC001288327639 1049043289 /nfs/dbraw/zinc/04/32/89/1049043289.db2.gz PAWQBELSRGTSQZ-UHFFFAOYSA-N 2 2 383.536 3.642 20 0 GHADLP CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001307575972 1049415724 /nfs/dbraw/zinc/41/57/24/1049415724.db2.gz MIHODZDEUJFGQX-OALUTQOASA-N 2 2 377.598 3.587 20 0 GHADLP COC(=O)c1ccc(F)c(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001307658802 1049484277 /nfs/dbraw/zinc/48/42/77/1049484277.db2.gz LRMVTBTYDATYQH-IRXDYDNUSA-N 2 2 384.495 3.859 20 0 GHADLP Cc1cccc(C(=O)NC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)c1 ZINC001307971635 1049731118 /nfs/dbraw/zinc/73/11/18/1049731118.db2.gz UZDCPLUEBXPDNU-UHFFFAOYSA-N 2 2 388.515 3.884 20 0 GHADLP Cc1cc(=O)oc2cc(OCC[NH+]3CCC(C)([NH+]4CCCCC4)CC3)ccc12 ZINC001308056517 1049803730 /nfs/dbraw/zinc/80/37/30/1049803730.db2.gz OIOYLEVOMLRFHW-UHFFFAOYSA-N 2 2 384.520 3.821 20 0 GHADLP CCN1CCCC[C@@H]1C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001308264238 1049930456 /nfs/dbraw/zinc/93/04/56/1049930456.db2.gz JICCRZZMYSVTLL-GOSISDBHSA-N 2 2 376.932 3.580 20 0 GHADLP Cc1ccc(Br)c(F)c1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC001308331397 1049950383 /nfs/dbraw/zinc/95/03/83/1049950383.db2.gz VRIOEGSVDQNSDU-ZWKOTPCHSA-N 2 2 399.348 3.754 20 0 GHADLP CCc1cc(Oc2ccc(F)cc2C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)ccc1Cl ZINC001308362615 1049958669 /nfs/dbraw/zinc/95/86/69/1049958669.db2.gz ODEJJSAKEQHOIL-NRFANRHFSA-N 2 2 392.902 3.990 20 0 GHADLP CCc1cc(Oc2ccc(F)cc2C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)ccc1Cl ZINC001308362615 1049958672 /nfs/dbraw/zinc/95/86/72/1049958672.db2.gz ODEJJSAKEQHOIL-NRFANRHFSA-N 2 2 392.902 3.990 20 0 GHADLP COc1cc(Br)c(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1OC ZINC001308367302 1049959632 /nfs/dbraw/zinc/95/96/32/1049959632.db2.gz SGFDHZPAOTUXIT-CQSZACIVSA-N 2 2 385.346 3.820 20 0 GHADLP Fc1ccc(I)c(F)c1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001308430567 1049974372 /nfs/dbraw/zinc/97/43/72/1049974372.db2.gz GIWNITBOQJYLQE-UHFFFAOYSA-N 2 2 399.182 3.507 20 0 GHADLP Clc1cc(C[NH2+]Cc2cnn(CC3CCC3)c2)ccc1OCCn1cc[nH+]c1 ZINC001308536921 1050002521 /nfs/dbraw/zinc/00/25/21/1050002521.db2.gz OXUIVHWQKCBMJQ-UHFFFAOYSA-N 2 2 399.926 3.902 20 0 GHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H](CC(N)=O)c3cccc(Cl)c3)CC2)C1 ZINC001308673928 1050054895 /nfs/dbraw/zinc/05/48/95/1050054895.db2.gz FYXOCDLPZDEUNN-CDHQVMDDSA-N 2 2 377.960 3.889 20 0 GHADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001308780086 1050090720 /nfs/dbraw/zinc/09/07/20/1050090720.db2.gz XEOSAJPZULXIIZ-DLBZAZTESA-N 2 2 389.531 3.731 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(Br)cn1C(C)C ZINC001329698325 1050888555 /nfs/dbraw/zinc/88/85/55/1050888555.db2.gz OAUWSRQBAZVRDP-UHFFFAOYSA-N 2 2 388.269 3.973 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC001311576311 1052258802 /nfs/dbraw/zinc/25/88/02/1052258802.db2.gz MLYDUQPKALCFFN-OAQYLSRUSA-N 2 2 395.551 3.751 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccnc(OCc2ccccc2)c1 ZINC001318593435 1054738283 /nfs/dbraw/zinc/73/82/83/1054738283.db2.gz MQNJERRTGAAOFV-UHFFFAOYSA-N 2 2 385.427 3.802 20 0 GHADLP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCCOc4ccc(F)cc43)c2)CC1 ZINC001319206711 1055095825 /nfs/dbraw/zinc/09/58/25/1055095825.db2.gz HTPOFIHZKHUFFG-JOCHJYFZSA-N 2 2 383.511 3.577 20 0 GHADLP C[C@H](OC1CCCCC1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001320014083 1055597492 /nfs/dbraw/zinc/59/74/92/1055597492.db2.gz OUZSEELWJWZQST-BWAGFHJFSA-N 2 2 393.616 3.520 20 0 GHADLP C[C@H](OC1CCCCC1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001320014083 1055597500 /nfs/dbraw/zinc/59/75/00/1055597500.db2.gz OUZSEELWJWZQST-BWAGFHJFSA-N 2 2 393.616 3.520 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC001200703210 1056769823 /nfs/dbraw/zinc/76/98/23/1056769823.db2.gz LZBJBRSRWARIDU-ICSRJNTNSA-N 2 2 394.437 3.558 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC001200703210 1056769833 /nfs/dbraw/zinc/76/98/33/1056769833.db2.gz LZBJBRSRWARIDU-ICSRJNTNSA-N 2 2 394.437 3.558 20 0 GHADLP c1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccc3c(c2)CCCO3)cc1 ZINC000848534717 1057157218 /nfs/dbraw/zinc/15/72/18/1057157218.db2.gz UTDVYEIDFUKZSY-ILBGXUMGSA-N 2 2 392.543 3.944 20 0 GHADLP O[C@@H](c1ccccc1)[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000848551649 1057174042 /nfs/dbraw/zinc/17/40/42/1057174042.db2.gz SBQSDBBSRSDTKI-SMIHKQSGSA-N 2 2 380.532 3.694 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(OCC(F)F)ccn1 ZINC001325039219 1057268535 /nfs/dbraw/zinc/26/85/35/1057268535.db2.gz PENLWADJFLKLRO-OXJNMPFZSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(OCC(F)F)ccn1 ZINC001325039219 1057268538 /nfs/dbraw/zinc/26/85/38/1057268538.db2.gz PENLWADJFLKLRO-OXJNMPFZSA-N 2 2 375.463 3.726 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC001325117148 1057277581 /nfs/dbraw/zinc/27/75/81/1057277581.db2.gz HFGVRIXBSPSSMC-LJQANCHMSA-N 2 2 392.503 3.560 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC001325117148 1057277589 /nfs/dbraw/zinc/27/75/89/1057277589.db2.gz HFGVRIXBSPSSMC-LJQANCHMSA-N 2 2 392.503 3.560 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)[NH+]1CCCC[C@H]1C ZINC001441485879 1058793727 /nfs/dbraw/zinc/79/37/27/1058793727.db2.gz FROCTJZPXRHUQI-LVCYWYKZSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)[NH+]1CCCC[C@H]1C ZINC001441485879 1058793746 /nfs/dbraw/zinc/79/37/46/1058793746.db2.gz FROCTJZPXRHUQI-LVCYWYKZSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1cccc(F)c1)[N@@H+]1CCCC[C@H]1C ZINC001441485879 1058793765 /nfs/dbraw/zinc/79/37/65/1058793765.db2.gz FROCTJZPXRHUQI-LVCYWYKZSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1cccc(F)c1)[N@H+]1CCCC[C@H]1C ZINC001441485879 1058793782 /nfs/dbraw/zinc/79/37/82/1058793782.db2.gz FROCTJZPXRHUQI-LVCYWYKZSA-N 2 2 375.532 3.559 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001444204217 1059282432 /nfs/dbraw/zinc/28/24/32/1059282432.db2.gz IQCQIJOKFNZSNZ-SFHVURJKSA-N 2 2 382.370 3.624 20 0 GHADLP Cc1cc(C)c(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c(C)[nH+]1 ZINC001445518874 1059551659 /nfs/dbraw/zinc/55/16/59/1059551659.db2.gz ZDKXTAYRULULEJ-UHFFFAOYSA-N 2 2 395.547 3.808 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2[NH2+]CCOc3ccccc32)c1 ZINC001340174141 1059741762 /nfs/dbraw/zinc/74/17/62/1059741762.db2.gz ZNGMMGOZKRPOKT-OAQYLSRUSA-N 2 2 390.487 3.717 20 0 GHADLP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001448572501 1060219556 /nfs/dbraw/zinc/21/95/56/1060219556.db2.gz RBARAMDYXSLTFV-ZVDOUQERSA-N 2 2 384.568 3.966 20 0 GHADLP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001448572501 1060219580 /nfs/dbraw/zinc/21/95/80/1060219580.db2.gz RBARAMDYXSLTFV-ZVDOUQERSA-N 2 2 384.568 3.966 20 0 GHADLP CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CC1 ZINC001341466122 1060702920 /nfs/dbraw/zinc/70/29/20/1060702920.db2.gz UUKVVLSWJPVXQE-GOSISDBHSA-N 2 2 389.588 3.648 20 0 GHADLP CCc1ccc(F)cc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001435866841 1062970576 /nfs/dbraw/zinc/97/05/76/1062970576.db2.gz XYTRTJNVFAYSAQ-FGZHOGPDSA-N 2 2 389.559 3.797 20 0 GHADLP CCc1ccc(F)cc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001435866841 1062970589 /nfs/dbraw/zinc/97/05/89/1062970589.db2.gz XYTRTJNVFAYSAQ-FGZHOGPDSA-N 2 2 389.559 3.797 20 0 GHADLP C[N@@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001459586315 1064135169 /nfs/dbraw/zinc/13/51/69/1064135169.db2.gz XLLGCXGNZKBHEX-HXUWFJFHSA-N 2 2 388.515 3.803 20 0 GHADLP C[N@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001459586315 1064135179 /nfs/dbraw/zinc/13/51/79/1064135179.db2.gz XLLGCXGNZKBHEX-HXUWFJFHSA-N 2 2 388.515 3.803 20 0 GHADLP C[NH+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001459586315 1064135188 /nfs/dbraw/zinc/13/51/88/1064135188.db2.gz XLLGCXGNZKBHEX-HXUWFJFHSA-N 2 2 388.515 3.803 20 0 GHADLP C[NH+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001459586315 1064135196 /nfs/dbraw/zinc/13/51/96/1064135196.db2.gz XLLGCXGNZKBHEX-HXUWFJFHSA-N 2 2 388.515 3.803 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1cccs1 ZINC001463646479 1064523949 /nfs/dbraw/zinc/52/39/49/1064523949.db2.gz KEPKHCASXNESQP-MOPGFXCFSA-N 2 2 389.540 3.661 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1cccs1 ZINC001463646479 1064523962 /nfs/dbraw/zinc/52/39/62/1064523962.db2.gz KEPKHCASXNESQP-MOPGFXCFSA-N 2 2 389.540 3.661 20 0 GHADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001300229509 1065771260 /nfs/dbraw/zinc/77/12/60/1065771260.db2.gz UGSWLZMJVYLVQL-HSALFYBXSA-N 2 2 388.515 3.996 20 0 GHADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001300229509 1065771272 /nfs/dbraw/zinc/77/12/72/1065771272.db2.gz UGSWLZMJVYLVQL-HSALFYBXSA-N 2 2 388.515 3.996 20 0 GHADLP CN(C(=O)C/C=C/Cc1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001466644502 1066229590 /nfs/dbraw/zinc/22/95/90/1066229590.db2.gz ZACLYBWFNDVKIF-IQFXESBZSA-N 2 2 397.607 3.971 20 0 GHADLP CN(C(=O)C/C=C/Cc1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001466644502 1066229606 /nfs/dbraw/zinc/22/96/06/1066229606.db2.gz ZACLYBWFNDVKIF-IQFXESBZSA-N 2 2 397.607 3.971 20 0 GHADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001466665450 1066242827 /nfs/dbraw/zinc/24/28/27/1066242827.db2.gz DBCJRPIKIGHHJT-BRWVUGGUSA-N 2 2 383.540 3.789 20 0 GHADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001466665452 1066243502 /nfs/dbraw/zinc/24/35/02/1066243502.db2.gz DBCJRPIKIGHHJT-IXDOHACOSA-N 2 2 383.540 3.789 20 0 GHADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001466665452 1066243511 /nfs/dbraw/zinc/24/35/11/1066243511.db2.gz DBCJRPIKIGHHJT-IXDOHACOSA-N 2 2 383.540 3.789 20 0 GHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001467372611 1067257427 /nfs/dbraw/zinc/25/74/27/1067257427.db2.gz HPLQZCQRXXEQFS-SFHVURJKSA-N 2 2 383.496 3.624 20 0 GHADLP CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCC(C)CC1 ZINC001467669098 1067408929 /nfs/dbraw/zinc/40/89/29/1067408929.db2.gz SOURDSMVMXBGHW-DENIHFKCSA-N 2 2 397.567 3.989 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)s1 ZINC001467865310 1067505873 /nfs/dbraw/zinc/50/58/73/1067505873.db2.gz QWCUAHZLYMRJJY-UYAOXDASSA-N 2 2 388.581 3.821 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)s1 ZINC001467865310 1067505881 /nfs/dbraw/zinc/50/58/81/1067505881.db2.gz QWCUAHZLYMRJJY-UYAOXDASSA-N 2 2 388.581 3.821 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)s1 ZINC001467865308 1067506192 /nfs/dbraw/zinc/50/61/92/1067506192.db2.gz QWCUAHZLYMRJJY-ICSRJNTNSA-N 2 2 388.581 3.821 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)s1 ZINC001467865308 1067506203 /nfs/dbraw/zinc/50/62/03/1067506203.db2.gz QWCUAHZLYMRJJY-ICSRJNTNSA-N 2 2 388.581 3.821 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)[NH+](C)C)cc1 ZINC001468351407 1067698893 /nfs/dbraw/zinc/69/88/93/1067698893.db2.gz PGQDNIGPMACOLM-PGRDOPGGSA-N 2 2 391.519 3.844 20 0 GHADLP CSc1ccc([C@@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)[NH+](C)C)cc1 ZINC000849113106 1067734652 /nfs/dbraw/zinc/73/46/52/1067734652.db2.gz NVAGQQFSWSZCCZ-RBUKOAKNSA-N 2 2 384.549 3.649 20 0 GHADLP Cc1[nH+]ccn1CCCC[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001460316909 1068921908 /nfs/dbraw/zinc/92/19/08/1068921908.db2.gz IVZQEPIXVAXXQM-BGYRXZFFSA-N 3 2 384.568 3.713 20 0 GHADLP Cc1[nH+]ccn1CCCC[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001460316909 1068921921 /nfs/dbraw/zinc/92/19/21/1068921921.db2.gz IVZQEPIXVAXXQM-BGYRXZFFSA-N 3 2 384.568 3.713 20 0 GHADLP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001460316909 1068921924 /nfs/dbraw/zinc/92/19/24/1068921924.db2.gz IVZQEPIXVAXXQM-BGYRXZFFSA-N 3 2 384.568 3.713 20 0 GHADLP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001460316909 1068921927 /nfs/dbraw/zinc/92/19/27/1068921927.db2.gz IVZQEPIXVAXXQM-BGYRXZFFSA-N 3 2 384.568 3.713 20 0 GHADLP Cc1nccn1CCCC[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001460316909 1068921930 /nfs/dbraw/zinc/92/19/30/1068921930.db2.gz IVZQEPIXVAXXQM-BGYRXZFFSA-N 2 2 384.568 3.713 20 0 GHADLP Cc1nccn1CCCC[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001460316909 1068921939 /nfs/dbraw/zinc/92/19/39/1068921939.db2.gz IVZQEPIXVAXXQM-BGYRXZFFSA-N 2 2 384.568 3.713 20 0 GHADLP Cc1nccn1CCCC[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001460316909 1068921940 /nfs/dbraw/zinc/92/19/40/1068921940.db2.gz IVZQEPIXVAXXQM-BGYRXZFFSA-N 2 2 384.568 3.713 20 0 GHADLP Cc1nccn1CCCC[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001460316909 1068921942 /nfs/dbraw/zinc/92/19/42/1068921942.db2.gz IVZQEPIXVAXXQM-BGYRXZFFSA-N 2 2 384.568 3.713 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCCn2c(=O)[nH]c3ccccc32)C1 ZINC001460969647 1069303378 /nfs/dbraw/zinc/30/33/78/1069303378.db2.gz CHNIKKWLRUVSCM-QGZVFWFLSA-N 2 2 381.524 3.963 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCCn2c(=O)[nH]c3ccccc32)C1 ZINC001460969647 1069303393 /nfs/dbraw/zinc/30/33/93/1069303393.db2.gz CHNIKKWLRUVSCM-QGZVFWFLSA-N 2 2 381.524 3.963 20 0 GHADLP C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001472533273 1073536355 /nfs/dbraw/zinc/53/63/55/1073536355.db2.gz XRIBKUKCMBMODA-QGZVFWFLSA-N 2 2 383.455 3.924 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC001473127436 1073794284 /nfs/dbraw/zinc/79/42/84/1073794284.db2.gz GKCPZLIAXDOXOP-OFNKIYASSA-N 2 2 385.596 3.965 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC001473127436 1073794296 /nfs/dbraw/zinc/79/42/96/1073794296.db2.gz GKCPZLIAXDOXOP-OFNKIYASSA-N 2 2 385.596 3.965 20 0 GHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001473144621 1073805974 /nfs/dbraw/zinc/80/59/74/1073805974.db2.gz XIRDINGYRWCYOT-GOTSBHOMSA-N 3 2 398.639 3.663 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@@H]3CCC(C)(C)C3)CC2)cc1 ZINC001473443771 1073964721 /nfs/dbraw/zinc/96/47/21/1073964721.db2.gz QJRNOMDVCQMSIB-JOCHJYFZSA-N 2 2 385.596 3.965 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@@H]3CCC(C)(C)C3)CC2)cc1 ZINC001473443771 1073964726 /nfs/dbraw/zinc/96/47/26/1073964726.db2.gz QJRNOMDVCQMSIB-JOCHJYFZSA-N 2 2 385.596 3.965 20 0 GHADLP O=c1[nH]cc(C[N@@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)c2ccccc12 ZINC001473830097 1074163736 /nfs/dbraw/zinc/16/37/36/1074163736.db2.gz MXOWAQIRPIYXPT-UHFFFAOYSA-N 2 2 391.515 3.665 20 0 GHADLP O=c1[nH]cc(C[N@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)c2ccccc12 ZINC001473830097 1074163739 /nfs/dbraw/zinc/16/37/39/1074163739.db2.gz MXOWAQIRPIYXPT-UHFFFAOYSA-N 2 2 391.515 3.665 20 0 GHADLP O=c1[nH]cc(C[NH+]2CCC[N@H+](Cc3ccccc3)CCOCC2)c2ccccc12 ZINC001473830097 1074163743 /nfs/dbraw/zinc/16/37/43/1074163743.db2.gz MXOWAQIRPIYXPT-UHFFFAOYSA-N 2 2 391.515 3.665 20 0 GHADLP O=c1[nH]cc(C[NH+]2CCC[N@@H+](Cc3ccccc3)CCOCC2)c2ccccc12 ZINC001473830097 1074163746 /nfs/dbraw/zinc/16/37/46/1074163746.db2.gz MXOWAQIRPIYXPT-UHFFFAOYSA-N 2 2 391.515 3.665 20 0 GHADLP Clc1ccc(C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)cn1 ZINC001473940343 1074211977 /nfs/dbraw/zinc/21/19/77/1074211977.db2.gz YNPCAOHQPICCIH-UHFFFAOYSA-N 2 2 377.275 3.954 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccccc3OC(F)(F)F)[nH+]c2)C1 ZINC001474076334 1074256316 /nfs/dbraw/zinc/25/63/16/1074256316.db2.gz GYXGXLYNMXTLEL-MRXNPFEDSA-N 2 2 380.414 3.733 20 0 GHADLP Brc1c[nH]c(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001474083155 1074258185 /nfs/dbraw/zinc/25/81/85/1074258185.db2.gz MTUBVNNXXFAJPY-BRWVUGGUSA-N 2 2 389.341 3.563 20 0 GHADLP Brc1c[nH]c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001474083155 1074258186 /nfs/dbraw/zinc/25/81/86/1074258186.db2.gz MTUBVNNXXFAJPY-BRWVUGGUSA-N 2 2 389.341 3.563 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(C)cc(Br)c3)CC2)CC1 ZINC001474586483 1074472427 /nfs/dbraw/zinc/47/24/27/1074472427.db2.gz RAFFUZXSRUJASQ-UHFFFAOYSA-N 2 2 394.401 3.750 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(C)cc(Br)c3)CC2)CC1 ZINC001474586483 1074472433 /nfs/dbraw/zinc/47/24/33/1074472433.db2.gz RAFFUZXSRUJASQ-UHFFFAOYSA-N 2 2 394.401 3.750 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(C)cc(Br)c3)CC2)CC1 ZINC001474586483 1074472434 /nfs/dbraw/zinc/47/24/34/1074472434.db2.gz RAFFUZXSRUJASQ-UHFFFAOYSA-N 2 2 394.401 3.750 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(C)cc(Br)c3)CC2)CC1 ZINC001474586483 1074472436 /nfs/dbraw/zinc/47/24/36/1074472436.db2.gz RAFFUZXSRUJASQ-UHFFFAOYSA-N 2 2 394.401 3.750 20 0 GHADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)CC1 ZINC001474673419 1074508672 /nfs/dbraw/zinc/50/86/72/1074508672.db2.gz BLMQCCUBHBCINT-IYERYRBDSA-N 2 2 390.593 3.624 20 0 GHADLP CC[NH+](CC)CC1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC001475861544 1075036827 /nfs/dbraw/zinc/03/68/27/1075036827.db2.gz YQBKTVZAZSAEIR-UHFFFAOYSA-N 2 2 393.601 3.715 20 0 GHADLP Cc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(C2CC2)[nH+]1 ZINC001164707919 719899315 /nfs/dbraw/zinc/89/93/15/719899315.db2.gz ZEYPMQRTYXUAQW-UHFFFAOYSA-N 2 2 384.549 3.595 20 0 GHADLP Cc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc(C2CC2)[nH+]1 ZINC001164707919 719899317 /nfs/dbraw/zinc/89/93/17/719899317.db2.gz ZEYPMQRTYXUAQW-UHFFFAOYSA-N 2 2 384.549 3.595 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164812902 720204220 /nfs/dbraw/zinc/20/42/20/720204220.db2.gz NCLHQDKWQBFLBA-GHTZIAJQSA-N 2 2 377.960 3.650 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164812902 720204229 /nfs/dbraw/zinc/20/42/29/720204229.db2.gz NCLHQDKWQBFLBA-GHTZIAJQSA-N 2 2 377.960 3.650 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164812902 720204237 /nfs/dbraw/zinc/20/42/37/720204237.db2.gz NCLHQDKWQBFLBA-GHTZIAJQSA-N 2 2 377.960 3.650 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164812902 720204247 /nfs/dbraw/zinc/20/42/47/720204247.db2.gz NCLHQDKWQBFLBA-GHTZIAJQSA-N 2 2 377.960 3.650 20 0 GHADLP COc1cc(C)c[nH+]c1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842357 720704314 /nfs/dbraw/zinc/70/43/14/720704314.db2.gz YSNRWPGJWKWSHT-HXUWFJFHSA-N 2 2 381.520 3.659 20 0 GHADLP COc1cc(C)c[nH+]c1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842357 720704322 /nfs/dbraw/zinc/70/43/22/720704322.db2.gz YSNRWPGJWKWSHT-HXUWFJFHSA-N 2 2 381.520 3.659 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(Cl)c(N)[nH+]1)CC2 ZINC001164840989 720727547 /nfs/dbraw/zinc/72/75/47/720727547.db2.gz UFQCSFRCFGNSCP-KRWDZBQOSA-N 2 2 386.927 3.577 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(Cl)c(N)[nH+]1)CC2 ZINC001164840989 720727556 /nfs/dbraw/zinc/72/75/56/720727556.db2.gz UFQCSFRCFGNSCP-KRWDZBQOSA-N 2 2 386.927 3.577 20 0 GHADLP COc1ccc2c(cc[nH+]c2N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164901417 721522412 /nfs/dbraw/zinc/52/24/12/721522412.db2.gz XEFRHZDZBBMROR-NQIIRXRSSA-N 2 2 393.462 3.724 20 0 GHADLP COc1ccc2c(cc[nH+]c2N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164901417 721522413 /nfs/dbraw/zinc/52/24/13/721522413.db2.gz XEFRHZDZBBMROR-NQIIRXRSSA-N 2 2 393.462 3.724 20 0 GHADLP Cc1cc(N2CCCC2)nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)[nH+]1 ZINC001164988829 722190780 /nfs/dbraw/zinc/19/07/80/722190780.db2.gz JJWIRNYUGGAZLL-QHCPKHFHSA-N 2 2 395.526 3.769 20 0 GHADLP Cc1cc(N2CCCC2)nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)[nH+]1 ZINC001164988829 722190783 /nfs/dbraw/zinc/19/07/83/722190783.db2.gz JJWIRNYUGGAZLL-QHCPKHFHSA-N 2 2 395.526 3.769 20 0 GHADLP FC(F)(F)[C@@H]1CC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H](C(F)(F)F)C1 ZINC000655685992 837606706 /nfs/dbraw/zinc/60/67/06/837606706.db2.gz WIHJXDOBZMZTEG-SLEUVZQESA-N 2 2 388.396 3.739 20 0 GHADLP C[C@@H](CCc1ccc(Br)cc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655698030 837689785 /nfs/dbraw/zinc/68/97/85/837689785.db2.gz ZKAAGEJCIBGOET-KXBFYZLASA-N 2 2 381.358 3.613 20 0 GHADLP c1ccc(COC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000655716594 837721769 /nfs/dbraw/zinc/72/17/69/837721769.db2.gz YUJAUMSQABSJKL-BJKOFHAPSA-N 2 2 380.532 3.787 20 0 GHADLP CCCOc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(OC(F)F)c1 ZINC000655722772 837739821 /nfs/dbraw/zinc/73/98/21/837739821.db2.gz IGBREDUXRFMVTE-LJQANCHMSA-N 2 2 398.494 3.810 20 0 GHADLP CC[C@H](Cc1ccccc1Br)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655733345 837769502 /nfs/dbraw/zinc/76/95/02/837769502.db2.gz LOMZFUACLXBARV-AEFFLSMTSA-N 2 2 381.358 3.613 20 0 GHADLP Brc1cccc(C2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)c1 ZINC000655744458 837797150 /nfs/dbraw/zinc/79/71/50/837797150.db2.gz ZZYZWEXWKILMRO-GOSISDBHSA-N 2 2 379.342 3.671 20 0 GHADLP COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(F)c1 ZINC000583635859 834781940 /nfs/dbraw/zinc/78/19/40/834781940.db2.gz XRDUZAWZNSKJKI-HNNXBMFYSA-N 2 2 375.463 3.576 20 0 GHADLP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129483444 834878185 /nfs/dbraw/zinc/87/81/85/834878185.db2.gz QBGLRRYFIRORJK-SJLPKXTDSA-N 2 2 394.475 3.798 20 0 GHADLP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129483444 834878195 /nfs/dbraw/zinc/87/81/95/834878195.db2.gz QBGLRRYFIRORJK-SJLPKXTDSA-N 2 2 394.475 3.798 20 0 GHADLP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000151133496 835004573 /nfs/dbraw/zinc/00/45/73/835004573.db2.gz YVHKHVLAVWYTQP-MSOLQXFVSA-N 2 2 382.552 3.961 20 0 GHADLP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000151133496 835004579 /nfs/dbraw/zinc/00/45/79/835004579.db2.gz YVHKHVLAVWYTQP-MSOLQXFVSA-N 2 2 382.552 3.961 20 0 GHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000728595293 835006748 /nfs/dbraw/zinc/00/67/48/835006748.db2.gz XWGDVFLKHRGVIK-SFHVURJKSA-N 2 2 384.505 3.940 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000685468763 835033692 /nfs/dbraw/zinc/03/36/92/835033692.db2.gz TXOGLJFXUGXPDP-PKTZIBPZSA-N 3 2 384.487 3.791 20 0 GHADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000685470858 835035741 /nfs/dbraw/zinc/03/57/41/835035741.db2.gz WDRFCKBFTWJUIP-LPHOPBHVSA-N 2 2 389.341 3.551 20 0 GHADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000685470858 835035750 /nfs/dbraw/zinc/03/57/50/835035750.db2.gz WDRFCKBFTWJUIP-LPHOPBHVSA-N 2 2 389.341 3.551 20 0 GHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000685470858 835035757 /nfs/dbraw/zinc/03/57/57/835035757.db2.gz WDRFCKBFTWJUIP-LPHOPBHVSA-N 2 2 389.341 3.551 20 0 GHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000685470858 835035768 /nfs/dbraw/zinc/03/57/68/835035768.db2.gz WDRFCKBFTWJUIP-LPHOPBHVSA-N 2 2 389.341 3.551 20 0 GHADLP C[N@@H+]1CCN(CCC[NH2+]Cc2ncc(C(F)(F)F)s2)[C@@H](c2ccccc2)C1 ZINC000433327856 844019845 /nfs/dbraw/zinc/01/98/45/844019845.db2.gz BEWLKIGAJYEMPG-MRXNPFEDSA-N 2 2 398.498 3.630 20 0 GHADLP C[N@H+]1CCN(CCC[NH2+]Cc2ncc(C(F)(F)F)s2)[C@@H](c2ccccc2)C1 ZINC000433327856 844019853 /nfs/dbraw/zinc/01/98/53/844019853.db2.gz BEWLKIGAJYEMPG-MRXNPFEDSA-N 2 2 398.498 3.630 20 0 GHADLP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCCO2 ZINC000658296010 835560173 /nfs/dbraw/zinc/56/01/73/835560173.db2.gz XHCKUZYZJHDPNE-AEFFLSMTSA-N 2 2 395.341 3.506 20 0 GHADLP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000658296415 835561629 /nfs/dbraw/zinc/56/16/29/835561629.db2.gz ZRTJOQVTNALCOA-ZJOUEHCJSA-N 2 2 376.516 3.703 20 0 GHADLP Fc1cc(Br)ccc1[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000658296547 835561823 /nfs/dbraw/zinc/56/18/23/835561823.db2.gz UAUPZLJKMPOCMQ-QFBILLFUSA-N 2 2 397.332 3.882 20 0 GHADLP Cc1ccc(C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C(C)C)s1 ZINC000065161831 835669583 /nfs/dbraw/zinc/66/95/83/835669583.db2.gz SQNDKUMEXTZAML-UHFFFAOYSA-N 2 2 385.577 3.611 20 0 GHADLP Cc1ccc(C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C(C)C)s1 ZINC000065161831 835669586 /nfs/dbraw/zinc/66/95/86/835669586.db2.gz SQNDKUMEXTZAML-UHFFFAOYSA-N 2 2 385.577 3.611 20 0 GHADLP FC(F)(F)CCCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000151640824 835687384 /nfs/dbraw/zinc/68/73/84/835687384.db2.gz OOBOFGJUKZFHHU-SFHVURJKSA-N 2 2 384.490 3.648 20 0 GHADLP FC(F)(F)CCCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000151640824 835687389 /nfs/dbraw/zinc/68/73/89/835687389.db2.gz OOBOFGJUKZFHHU-SFHVURJKSA-N 2 2 384.490 3.648 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)ccn12 ZINC000584240367 835794205 /nfs/dbraw/zinc/79/42/05/835794205.db2.gz FLGPXKQYXDTYOC-FCHUYYIVSA-N 2 2 388.515 3.769 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)ccn12 ZINC000584240367 835794210 /nfs/dbraw/zinc/79/42/10/835794210.db2.gz FLGPXKQYXDTYOC-FCHUYYIVSA-N 2 2 388.515 3.769 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc(OC)c1OC ZINC000092587792 844123005 /nfs/dbraw/zinc/12/30/05/844123005.db2.gz FHBVHDURZRGVNQ-GOSISDBHSA-N 2 2 376.541 3.656 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc(OC)c1OC ZINC000092587792 844123010 /nfs/dbraw/zinc/12/30/10/844123010.db2.gz FHBVHDURZRGVNQ-GOSISDBHSA-N 2 2 376.541 3.656 20 0 GHADLP CCCN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000547758071 836098379 /nfs/dbraw/zinc/09/83/79/836098379.db2.gz CGEPOPFDPRISLV-UXHICEINSA-N 2 2 380.536 3.733 20 0 GHADLP CCCN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000547758071 836098386 /nfs/dbraw/zinc/09/83/86/836098386.db2.gz CGEPOPFDPRISLV-UXHICEINSA-N 2 2 380.536 3.733 20 0 GHADLP Fc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c2c(c1)COCO2 ZINC000569891317 836126090 /nfs/dbraw/zinc/12/60/90/836126090.db2.gz GEGKFCYCRFVREW-GHTZIAJQSA-N 2 2 382.479 3.646 20 0 GHADLP Fc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c2c(c1)COCO2 ZINC000569891317 836126096 /nfs/dbraw/zinc/12/60/96/836126096.db2.gz GEGKFCYCRFVREW-GHTZIAJQSA-N 2 2 382.479 3.646 20 0 GHADLP Fc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c2c(c1)COCO2 ZINC000569891317 836126101 /nfs/dbraw/zinc/12/61/01/836126101.db2.gz GEGKFCYCRFVREW-GHTZIAJQSA-N 2 2 382.479 3.646 20 0 GHADLP Fc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c2c(c1)COCO2 ZINC000569891317 836126104 /nfs/dbraw/zinc/12/61/04/836126104.db2.gz GEGKFCYCRFVREW-GHTZIAJQSA-N 2 2 382.479 3.646 20 0 GHADLP C[C@@H](NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccs1 ZINC000548932078 836272247 /nfs/dbraw/zinc/27/22/47/836272247.db2.gz PIHVOPIEDQRQCL-YLJYHZDGSA-N 2 2 385.577 3.816 20 0 GHADLP C[C@@H](NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccs1 ZINC000548932078 836272256 /nfs/dbraw/zinc/27/22/56/836272256.db2.gz PIHVOPIEDQRQCL-YLJYHZDGSA-N 2 2 385.577 3.816 20 0 GHADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000893788971 844145533 /nfs/dbraw/zinc/14/55/33/844145533.db2.gz PBTZOGOBWILMIJ-UNMCSNQZSA-N 2 2 397.567 3.615 20 0 GHADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000376087410 836828887 /nfs/dbraw/zinc/82/88/87/836828887.db2.gz YAZPGEMISLHDAD-ICSRJNTNSA-N 2 2 381.568 3.771 20 0 GHADLP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000247111662 836840586 /nfs/dbraw/zinc/84/05/86/836840586.db2.gz YJUOXYUQVCPORE-GUDVDZBRSA-N 2 2 398.551 3.543 20 0 GHADLP C[N@@H+]1CCO[C@@H]([C@H](NC2CC[NH+](C(C)(C)C)CC2)c2ccc(Cl)cc2)C1 ZINC000119426799 836866492 /nfs/dbraw/zinc/86/64/92/836866492.db2.gz SDXMONZWUGSGLH-WOJBJXKFSA-N 2 2 379.976 3.564 20 0 GHADLP C[N@H+]1CCO[C@@H]([C@H](NC2CC[NH+](C(C)(C)C)CC2)c2ccc(Cl)cc2)C1 ZINC000119426799 836866499 /nfs/dbraw/zinc/86/64/99/836866499.db2.gz SDXMONZWUGSGLH-WOJBJXKFSA-N 2 2 379.976 3.564 20 0 GHADLP C[N@@H+]1CCO[C@@H]([C@@H](NC2CC[NH+](C(C)(C)C)CC2)c2ccc(Cl)cc2)C1 ZINC000119426669 836866542 /nfs/dbraw/zinc/86/65/42/836866542.db2.gz SDXMONZWUGSGLH-UXHICEINSA-N 2 2 379.976 3.564 20 0 GHADLP C[N@H+]1CCO[C@@H]([C@@H](NC2CC[NH+](C(C)(C)C)CC2)c2ccc(Cl)cc2)C1 ZINC000119426669 836866552 /nfs/dbraw/zinc/86/65/52/836866552.db2.gz SDXMONZWUGSGLH-UXHICEINSA-N 2 2 379.976 3.564 20 0 GHADLP CC[C@@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[N@H+](C)Cc1ccccc1 ZINC000685839404 837181711 /nfs/dbraw/zinc/18/17/11/837181711.db2.gz WMELIPBXEJGUEF-QFIPXVFZSA-N 2 2 394.563 3.836 20 0 GHADLP CC[C@@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[N@@H+](C)Cc1ccccc1 ZINC000685839404 837181717 /nfs/dbraw/zinc/18/17/17/837181717.db2.gz WMELIPBXEJGUEF-QFIPXVFZSA-N 2 2 394.563 3.836 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cscc3C(F)(F)F)CC2)CC1 ZINC000685839614 837185410 /nfs/dbraw/zinc/18/54/10/837185410.db2.gz SYIZMDJTQNEUCG-UHFFFAOYSA-N 2 2 375.504 3.757 20 0 GHADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c(C)c1 ZINC000414066614 837342979 /nfs/dbraw/zinc/34/29/79/837342979.db2.gz IHIWIGKDHQRHKM-IBGZPJMESA-N 2 2 384.520 3.565 20 0 GHADLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1csc(-c2ccccc2)n1 ZINC000414069003 837360377 /nfs/dbraw/zinc/36/03/77/837360377.db2.gz KEUNHVGHRLCOQP-QGZVFWFLSA-N 2 2 393.560 3.808 20 0 GHADLP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(CC)s3)CC2)c1 ZINC000415900462 838246939 /nfs/dbraw/zinc/24/69/39/838246939.db2.gz ALWIWLLRXNTBHF-UHFFFAOYSA-N 2 2 386.565 3.770 20 0 GHADLP [NH3+]Cc1cc(NC(=O)NCCCCNc2cccc[nH+]2)cc(C(F)(F)F)c1 ZINC000415976946 838343042 /nfs/dbraw/zinc/34/30/42/838343042.db2.gz WBCIJDXMNCWJAU-UHFFFAOYSA-N 2 2 381.402 3.573 20 0 GHADLP [NH3+]Cc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000415980204 838346392 /nfs/dbraw/zinc/34/63/92/838346392.db2.gz RVPUXYKRCKWBQT-SFHVURJKSA-N 2 2 390.890 3.724 20 0 GHADLP [NH3+]Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000415980204 838346394 /nfs/dbraw/zinc/34/63/94/838346394.db2.gz RVPUXYKRCKWBQT-SFHVURJKSA-N 2 2 390.890 3.724 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cs2)cc1OC ZINC000584520679 838481255 /nfs/dbraw/zinc/48/12/55/838481255.db2.gz SVNJAMTYPYJQCR-ZBFHGGJFSA-N 2 2 375.538 3.634 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cs2)cc1OC ZINC000584520679 838481257 /nfs/dbraw/zinc/48/12/57/838481257.db2.gz SVNJAMTYPYJQCR-ZBFHGGJFSA-N 2 2 375.538 3.634 20 0 GHADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000179592270 838546504 /nfs/dbraw/zinc/54/65/04/838546504.db2.gz LURREUODQYAUBY-DZFGPLHGSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000179592270 838546509 /nfs/dbraw/zinc/54/65/09/838546509.db2.gz LURREUODQYAUBY-DZFGPLHGSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)c2ccccc21 ZINC000376706767 838640752 /nfs/dbraw/zinc/64/07/52/838640752.db2.gz MSDLGTUNIVYAPM-IRXDYDNUSA-N 2 2 398.526 3.508 20 0 GHADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)c2ccccc21 ZINC000376706767 838640754 /nfs/dbraw/zinc/64/07/54/838640754.db2.gz MSDLGTUNIVYAPM-IRXDYDNUSA-N 2 2 398.526 3.508 20 0 GHADLP CCCC[NH+](CCCC)CCNc1ccc(C[NH+]2CCOCC2)cc1OC ZINC001167735066 838835420 /nfs/dbraw/zinc/83/54/20/838835420.db2.gz VZXASFKMMUEHTR-UHFFFAOYSA-N 2 2 377.573 3.842 20 0 GHADLP Brc1cccc(-c2c[nH]c(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000415057402 839139360 /nfs/dbraw/zinc/13/93/60/839139360.db2.gz UCQYYKLEJRNHQD-CRAIPNDOSA-N 2 2 389.341 3.803 20 0 GHADLP Brc1cccc(-c2c[nH]c(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000415057402 839139364 /nfs/dbraw/zinc/13/93/64/839139364.db2.gz UCQYYKLEJRNHQD-CRAIPNDOSA-N 2 2 389.341 3.803 20 0 GHADLP C[C@H](c1cccc(NC(=O)NCC[NH2+]C2CCCCCC2)c1)[NH+]1CCOCC1 ZINC000415148650 839272139 /nfs/dbraw/zinc/27/21/39/839272139.db2.gz MAUVCDUNPDAQRA-GOSISDBHSA-N 2 2 388.556 3.514 20 0 GHADLP C[C@@H](c1cccc(NC(=O)NCC[NH2+]C2CCCCCC2)c1)[NH+]1CCOCC1 ZINC000415148651 839272550 /nfs/dbraw/zinc/27/25/50/839272550.db2.gz MAUVCDUNPDAQRA-SFHVURJKSA-N 2 2 388.556 3.514 20 0 GHADLP C[C@@H](c1cccc(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)c1)[NH+]1CCOCC1 ZINC000415149243 839283515 /nfs/dbraw/zinc/28/35/15/839283515.db2.gz NZJQSIKNJXYVNG-PGRDOPGGSA-N 2 2 396.535 3.682 20 0 GHADLP CCC(CC)(C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000580458353 839590738 /nfs/dbraw/zinc/59/07/38/839590738.db2.gz MBDSYTPEZUQGBC-SXLOBPIMSA-N 2 2 380.598 3.841 20 0 GHADLP COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000164167781 840274027 /nfs/dbraw/zinc/27/40/27/840274027.db2.gz LDQKTQQBXSEDEK-UHFFFAOYSA-N 2 2 385.439 3.601 20 0 GHADLP Cc1ccc(N2CCC(C(=O)Nc3cccc4c3OCC[C@@H]4[NH+](C)C)CC2)[nH+]c1 ZINC000684088835 840299047 /nfs/dbraw/zinc/29/90/47/840299047.db2.gz JRYWTXIPYRPICP-FQEVSTJZSA-N 2 2 394.519 3.630 20 0 GHADLP C[N@H+](C[C@H](O)C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000581040760 840625303 /nfs/dbraw/zinc/62/53/03/840625303.db2.gz ZQGJNKPDWZVNOH-PBHICJAKSA-N 2 2 376.850 3.855 20 0 GHADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000581040760 840625309 /nfs/dbraw/zinc/62/53/09/840625309.db2.gz ZQGJNKPDWZVNOH-PBHICJAKSA-N 2 2 376.850 3.855 20 0 GHADLP CCc1ccc([C@H](CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)[NH+](C)C)cc1 ZINC000510383229 841052435 /nfs/dbraw/zinc/05/24/35/841052435.db2.gz COSQVSDRBZMMOL-QFIPXVFZSA-N 2 2 376.504 3.776 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@@]3([NH+](C)C)CCC[C@@H](C)C3)cn2c1 ZINC000497437297 841056758 /nfs/dbraw/zinc/05/67/58/841056758.db2.gz TVKYEVMJGACCSD-IIBYNOLFSA-N 2 2 388.581 3.503 20 0 GHADLP CN(Cc1ccc2ccccc2c1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051759494 844615391 /nfs/dbraw/zinc/61/53/91/844615391.db2.gz ZQOTULKEMPXYJJ-UHFFFAOYSA-N 2 2 394.563 3.540 20 0 GHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000319128263 841230585 /nfs/dbraw/zinc/23/05/85/841230585.db2.gz GUZSPRLAACJUPE-SNVBAGLBSA-N 2 2 378.192 3.723 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCCNc1c2[nH+]ccn2ccc1I ZINC001167750744 841733337 /nfs/dbraw/zinc/73/33/37/841733337.db2.gz BAOSOSCILNNQLV-ZDUSSCGKSA-N 2 2 398.292 3.615 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCCNc1c2[nH+]ccn2ccc1I ZINC001167750744 841733339 /nfs/dbraw/zinc/73/33/39/841733339.db2.gz BAOSOSCILNNQLV-ZDUSSCGKSA-N 2 2 398.292 3.615 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000045634764 841738190 /nfs/dbraw/zinc/73/81/90/841738190.db2.gz RBQWQMYRBUADFO-UHFFFAOYSA-N 2 2 395.551 3.523 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cccc(OC4CC4)c3F)[nH+]c2)CC1 ZINC000656770625 841908220 /nfs/dbraw/zinc/90/82/20/841908220.db2.gz JRTSJIRKDJOAEQ-UHFFFAOYSA-N 2 2 384.499 3.904 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cc(F)ccc3OC(F)F)[nH+]c2)C1 ZINC000656770488 841908252 /nfs/dbraw/zinc/90/82/52/841908252.db2.gz DAKDEYRPOSZWCQ-INIZCTEOSA-N 2 2 380.414 3.575 20 0 GHADLP CC[NH+](CC)CCOc1ccc(CNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000599503797 861255226 /nfs/dbraw/zinc/25/52/26/861255226.db2.gz JCTDYNVIWYBJBE-UHFFFAOYSA-N 2 2 383.540 3.800 20 0 GHADLP CC[NH+](CC)CCOc1ccc(CNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000599503797 861255244 /nfs/dbraw/zinc/25/52/44/861255244.db2.gz JCTDYNVIWYBJBE-UHFFFAOYSA-N 2 2 383.540 3.800 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)COc2ncc(Cl)cc2Cl)s1 ZINC000512039345 842266004 /nfs/dbraw/zinc/26/60/04/842266004.db2.gz XBRVLFICSDSYGL-UHFFFAOYSA-N 2 2 389.352 3.854 20 0 GHADLP COc1ccc(C[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)c(Br)c1 ZINC000512050712 842331080 /nfs/dbraw/zinc/33/10/80/842331080.db2.gz DXYLIHSFNGBSOJ-UHFFFAOYSA-N 2 2 390.325 3.920 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2Br)[C@@H](C)C1 ZINC000512054081 842346189 /nfs/dbraw/zinc/34/61/89/842346189.db2.gz USJQDKCIDTWHLP-HNAYVOBHSA-N 2 2 399.373 3.684 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2Br)[C@@H](C)C1 ZINC000512054081 842346191 /nfs/dbraw/zinc/34/61/91/842346191.db2.gz USJQDKCIDTWHLP-HNAYVOBHSA-N 2 2 399.373 3.684 20 0 GHADLP COc1cccc(OC)c1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000512127711 842584056 /nfs/dbraw/zinc/58/40/56/842584056.db2.gz CVJXZXBGDNRUQV-ROUUACIJSA-N 2 2 384.520 3.603 20 0 GHADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCSc3ccnc4cc(Cl)ccc43)CC2)C1 ZINC000662152791 842771649 /nfs/dbraw/zinc/77/16/49/842771649.db2.gz GVMIIZDGAFCABY-KRWDZBQOSA-N 2 2 391.968 3.511 20 0 GHADLP O[C@H]1CC[N@H+](C2CC[NH+](CCSc3ccnc4cc(Cl)ccc43)CC2)C1 ZINC000662152791 842771661 /nfs/dbraw/zinc/77/16/61/842771661.db2.gz GVMIIZDGAFCABY-KRWDZBQOSA-N 2 2 391.968 3.511 20 0 GHADLP CC[C@@H]1C[N@H+](C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000549638283 842849237 /nfs/dbraw/zinc/84/92/37/842849237.db2.gz IEPFKMQWNRURJR-QGZVFWFLSA-N 2 2 395.576 3.950 20 0 GHADLP CC[C@@H]1C[N@@H+](C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000549638283 842849245 /nfs/dbraw/zinc/84/92/45/842849245.db2.gz IEPFKMQWNRURJR-QGZVFWFLSA-N 2 2 395.576 3.950 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000471863625 843002381 /nfs/dbraw/zinc/00/23/81/843002381.db2.gz WRGLFXXGGIHSHY-UWJYYQICSA-N 2 2 387.474 3.575 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000471863625 843002394 /nfs/dbraw/zinc/00/23/94/843002394.db2.gz WRGLFXXGGIHSHY-UWJYYQICSA-N 2 2 387.474 3.575 20 0 GHADLP [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000430902145 843157077 /nfs/dbraw/zinc/15/70/77/843157077.db2.gz XAJGOTJPPOZDGQ-MSOLQXFVSA-N 2 2 394.523 3.559 20 0 GHADLP [NH3+]C[C@H]1CCCc2ccc(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)cc21 ZINC000662364718 843162439 /nfs/dbraw/zinc/16/24/39/843162439.db2.gz KSBWISMVTIQOOH-QGZVFWFLSA-N 2 2 384.549 3.760 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512291367 843327537 /nfs/dbraw/zinc/32/75/37/843327537.db2.gz IFEQNMIUJUDZMA-BWKNWUBXSA-N 2 2 391.559 3.804 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512291367 843327545 /nfs/dbraw/zinc/32/75/45/843327545.db2.gz IFEQNMIUJUDZMA-BWKNWUBXSA-N 2 2 391.559 3.804 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512291367 843327551 /nfs/dbraw/zinc/32/75/51/843327551.db2.gz IFEQNMIUJUDZMA-BWKNWUBXSA-N 2 2 391.559 3.804 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512291367 843327562 /nfs/dbraw/zinc/32/75/62/843327562.db2.gz IFEQNMIUJUDZMA-BWKNWUBXSA-N 2 2 391.559 3.804 20 0 GHADLP Cc1cc(CO)cc(NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)[nH+]1 ZINC000663405324 843503016 /nfs/dbraw/zinc/50/30/16/843503016.db2.gz UOBRBCOKBLQTML-UHFFFAOYSA-N 2 2 379.426 3.978 20 0 GHADLP C[C@H](OC[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000052003884 843964046 /nfs/dbraw/zinc/96/40/46/843964046.db2.gz WOCAJCNOJIYWSL-LAUBAEHRSA-N 2 2 380.960 3.729 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C[C@H](C)O1 ZINC000433312817 843999403 /nfs/dbraw/zinc/99/94/03/843999403.db2.gz SGOCADMPXZQXHP-CALCHBBNSA-N 2 2 380.492 3.569 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C[C@H](C)O1 ZINC000433312817 843999405 /nfs/dbraw/zinc/99/94/05/843999405.db2.gz SGOCADMPXZQXHP-CALCHBBNSA-N 2 2 380.492 3.569 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000181253072 844841790 /nfs/dbraw/zinc/84/17/90/844841790.db2.gz WWJSCRHBIIBFQZ-KRWDZBQOSA-N 2 2 384.351 3.951 20 0 GHADLP CN(C(=O)NCC1CCCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535866467 844865570 /nfs/dbraw/zinc/86/55/70/844865570.db2.gz OEOJEXCGUPLZOB-NHCUHLMSSA-N 2 2 378.605 3.545 20 0 GHADLP CN(C(=O)NCC1CCCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535866467 844865575 /nfs/dbraw/zinc/86/55/75/844865575.db2.gz OEOJEXCGUPLZOB-NHCUHLMSSA-N 2 2 378.605 3.545 20 0 GHADLP c1oc2ccccc2c1C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512697563 845060099 /nfs/dbraw/zinc/06/00/99/845060099.db2.gz SOFMEHBXJVCWNB-FQEVSTJZSA-N 2 2 390.531 3.862 20 0 GHADLP c1oc2ccccc2c1C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512697563 845060106 /nfs/dbraw/zinc/06/01/06/845060106.db2.gz SOFMEHBXJVCWNB-FQEVSTJZSA-N 2 2 390.531 3.862 20 0 GHADLP CN(C(=O)Nc1cccc2cc[nH]c21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000548506875 845069900 /nfs/dbraw/zinc/06/99/00/845069900.db2.gz HBZPVIZCMRGJRI-NHCUHLMSSA-N 2 2 397.567 3.969 20 0 GHADLP CN(C(=O)Nc1cccc2cc[nH]c21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000548506875 845069911 /nfs/dbraw/zinc/06/99/11/845069911.db2.gz HBZPVIZCMRGJRI-NHCUHLMSSA-N 2 2 397.567 3.969 20 0 GHADLP CCC[NH+]1CCC(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000549935052 845201886 /nfs/dbraw/zinc/20/18/86/845201886.db2.gz VSWASONAEYYSJI-MRXNPFEDSA-N 2 2 393.601 3.619 20 0 GHADLP CCC[NH+]1CCC(CNC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000549935052 845201899 /nfs/dbraw/zinc/20/18/99/845201899.db2.gz VSWASONAEYYSJI-MRXNPFEDSA-N 2 2 393.601 3.619 20 0 GHADLP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000261674278 845225849 /nfs/dbraw/zinc/22/58/49/845225849.db2.gz HNSOOHYCUMLBLS-UHFFFAOYSA-N 2 2 378.731 3.907 20 0 GHADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000431327700 845950391 /nfs/dbraw/zinc/95/03/91/845950391.db2.gz SNHZKWARTIGSMG-SFTDATJTSA-N 2 2 387.568 3.556 20 0 GHADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000431327700 845950398 /nfs/dbraw/zinc/95/03/98/845950398.db2.gz SNHZKWARTIGSMG-SFTDATJTSA-N 2 2 387.568 3.556 20 0 GHADLP FC(F)c1c(-c2nc(-c3ccn4c[nH+]cc4c3)no2)cnn1-c1cc[nH+]cc1 ZINC000350311404 861633391 /nfs/dbraw/zinc/63/33/91/861633391.db2.gz WBZQEMXTHOEQRS-UHFFFAOYSA-N 2 2 379.330 3.570 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CCCCN1C(=O)c3ccccc3C1=O)CCC2 ZINC000472141196 846124399 /nfs/dbraw/zinc/12/43/99/846124399.db2.gz ZPAKLECZDWOXED-FUHWJXTLSA-N 2 2 394.519 3.514 20 0 GHADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548664317 846230106 /nfs/dbraw/zinc/23/01/06/846230106.db2.gz APPIHVVTOXQODK-DOTOQJQBSA-N 2 2 386.927 3.998 20 0 GHADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548664317 846230109 /nfs/dbraw/zinc/23/01/09/846230109.db2.gz APPIHVVTOXQODK-DOTOQJQBSA-N 2 2 386.927 3.998 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000280284224 846350944 /nfs/dbraw/zinc/35/09/44/846350944.db2.gz YSFIAWUPEXWQTQ-AWEZNQCLSA-N 2 2 389.546 3.887 20 0 GHADLP COc1ccc(C[C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(C)c1OC ZINC000513691992 846362945 /nfs/dbraw/zinc/36/29/45/846362945.db2.gz XIKYDQUFLIORAA-KRWDZBQOSA-N 2 2 379.504 3.978 20 0 GHADLP CC(C)n1ccnc1C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000657376900 846719514 /nfs/dbraw/zinc/71/95/14/846719514.db2.gz WCBKKSHWINESOL-UHFFFAOYSA-N 2 2 395.473 3.524 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](CC(C)C)c3ccccc3)CC2)CC1 ZINC000422015653 846768683 /nfs/dbraw/zinc/76/86/83/846768683.db2.gz HGXLJTTYDPPJNZ-QHCPKHFHSA-N 2 2 385.596 3.835 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](CC(C)C)c3ccccc3)CC2)CC1 ZINC000422015653 846768689 /nfs/dbraw/zinc/76/86/89/846768689.db2.gz HGXLJTTYDPPJNZ-QHCPKHFHSA-N 2 2 385.596 3.835 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@@H](C)C1 ZINC000481559849 861719629 /nfs/dbraw/zinc/71/96/29/861719629.db2.gz HBKBHFKDBFGSDK-LAUBAEHRSA-N 3 2 388.531 3.546 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@@H](C)C1 ZINC000481559849 861719638 /nfs/dbraw/zinc/71/96/38/861719638.db2.gz HBKBHFKDBFGSDK-LAUBAEHRSA-N 3 2 388.531 3.546 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)[C@@H](C)C1 ZINC000481559849 861719650 /nfs/dbraw/zinc/71/96/50/861719650.db2.gz HBKBHFKDBFGSDK-LAUBAEHRSA-N 2 2 388.531 3.546 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)[C@@H](C)C1 ZINC000481559849 861719666 /nfs/dbraw/zinc/71/96/66/861719666.db2.gz HBKBHFKDBFGSDK-LAUBAEHRSA-N 2 2 388.531 3.546 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3c4ccccc4CC[C@H]3C)CC2)CC1 ZINC000422178514 846875797 /nfs/dbraw/zinc/87/57/97/846875797.db2.gz JRIGVTSHWIIQEG-XXBNENTESA-N 2 2 398.595 3.512 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3c4ccccc4CC[C@H]3C)CC2)CC1 ZINC000422178514 846875803 /nfs/dbraw/zinc/87/58/03/846875803.db2.gz JRIGVTSHWIIQEG-XXBNENTESA-N 2 2 398.595 3.512 20 0 GHADLP COC[C@H](C)Oc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000657401292 846946783 /nfs/dbraw/zinc/94/67/83/846946783.db2.gz AEOCICGLHZOMAN-SFHVURJKSA-N 2 2 398.551 3.638 20 0 GHADLP CC(=O)Nc1cccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000272271265 847034602 /nfs/dbraw/zinc/03/46/02/847034602.db2.gz NKYIWMGIKOUBHN-INIZCTEOSA-N 2 2 381.524 3.744 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(Br)c1 ZINC000420339450 847118764 /nfs/dbraw/zinc/11/87/64/847118764.db2.gz LSJAPLWMQYLLIA-YOEHRIQHSA-N 2 2 394.357 3.549 20 0 GHADLP CC(C)(C[NH+]1CCCC1)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000582403565 847141822 /nfs/dbraw/zinc/14/18/22/847141822.db2.gz VVZKACHIMLSCBR-UHFFFAOYSA-N 2 2 381.524 3.882 20 0 GHADLP CN(C(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000420381728 847149474 /nfs/dbraw/zinc/14/94/74/847149474.db2.gz ZIMGKQSIVBXVHQ-LADGPHEKSA-N 2 2 397.538 3.871 20 0 GHADLP Cc1cc(CNC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(C)[nH+]1 ZINC000420853790 847488536 /nfs/dbraw/zinc/48/85/36/847488536.db2.gz UYUXNTANHZYFRX-QHCPKHFHSA-N 2 2 378.520 3.506 20 0 GHADLP Cc1cc(CNC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc(C)[nH+]1 ZINC000420853790 847488541 /nfs/dbraw/zinc/48/85/41/847488541.db2.gz UYUXNTANHZYFRX-QHCPKHFHSA-N 2 2 378.520 3.506 20 0 GHADLP COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000420910308 847527861 /nfs/dbraw/zinc/52/78/61/847527861.db2.gz ZTKZFJJBEVBYLF-QFIPXVFZSA-N 2 2 396.531 3.873 20 0 GHADLP COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000420910308 847527872 /nfs/dbraw/zinc/52/78/72/847527872.db2.gz ZTKZFJJBEVBYLF-QFIPXVFZSA-N 2 2 396.531 3.873 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000420911413 847531447 /nfs/dbraw/zinc/53/14/47/847531447.db2.gz GMNUZAOJGUCZDY-WZONZLPQSA-N 2 2 384.495 3.620 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000420911413 847531458 /nfs/dbraw/zinc/53/14/58/847531458.db2.gz GMNUZAOJGUCZDY-WZONZLPQSA-N 2 2 384.495 3.620 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1cc(F)cc(F)c1 ZINC000503389701 847648793 /nfs/dbraw/zinc/64/87/93/847648793.db2.gz ZTHVNZYWCSBYSY-OAHLLOKOSA-N 2 2 388.462 3.706 20 0 GHADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1cc(F)cc(F)c1 ZINC000503389701 847648796 /nfs/dbraw/zinc/64/87/96/847648796.db2.gz ZTHVNZYWCSBYSY-OAHLLOKOSA-N 2 2 388.462 3.706 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407943 847672436 /nfs/dbraw/zinc/67/24/36/847672436.db2.gz GOLLAANZEDBFGQ-CTNGQTDRSA-N 2 2 394.563 3.836 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407943 847672439 /nfs/dbraw/zinc/67/24/39/847672439.db2.gz GOLLAANZEDBFGQ-CTNGQTDRSA-N 2 2 394.563 3.836 20 0 GHADLP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503429350 847686727 /nfs/dbraw/zinc/68/67/27/847686727.db2.gz IKPSBGDPNLOOPY-OAQYLSRUSA-N 2 2 394.563 3.836 20 0 GHADLP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503429350 847686736 /nfs/dbraw/zinc/68/67/36/847686736.db2.gz IKPSBGDPNLOOPY-OAQYLSRUSA-N 2 2 394.563 3.836 20 0 GHADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000503520417 847764959 /nfs/dbraw/zinc/76/49/59/847764959.db2.gz FFDIHKJKUDKMHI-ZWKOTPCHSA-N 2 2 381.923 3.607 20 0 GHADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000503520417 847764963 /nfs/dbraw/zinc/76/49/63/847764963.db2.gz FFDIHKJKUDKMHI-ZWKOTPCHSA-N 2 2 381.923 3.607 20 0 GHADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422698034 847771571 /nfs/dbraw/zinc/77/15/71/847771571.db2.gz XHSQYUKJRFHOCR-IEBWSBKVSA-N 2 2 385.508 3.519 20 0 GHADLP COc1cc2c(c(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c1)O[C@@H](C)C2 ZINC000502344952 847780277 /nfs/dbraw/zinc/78/02/77/847780277.db2.gz JJZRRZZNSCEBMM-IRXDYDNUSA-N 2 2 381.520 3.931 20 0 GHADLP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1OCC(=O)N1CCCC1 ZINC000422726246 847800096 /nfs/dbraw/zinc/80/00/96/847800096.db2.gz ZKTHYCZGFQIQLF-BHIFYINESA-N 2 2 393.531 3.873 20 0 GHADLP COc1ccc([C@H]([NH2+]CCCn2c(C)nc3ccccc32)[C@H]2CCC[NH2+]2)cc1 ZINC000422761705 847801991 /nfs/dbraw/zinc/80/19/91/847801991.db2.gz RMEMNHWKBIRPSK-GGAORHGYSA-N 2 2 378.520 3.826 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000422943093 847901498 /nfs/dbraw/zinc/90/14/98/847901498.db2.gz KBORNKDNXNOGIF-XPGWFJOJSA-N 2 2 389.337 3.895 20 0 GHADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)c2ccccc21 ZINC000422973663 847924297 /nfs/dbraw/zinc/92/42/97/847924297.db2.gz PGJCAXDPJPEWMD-YADHBBJMSA-N 2 2 375.472 3.774 20 0 GHADLP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1Cl ZINC000604159481 861874747 /nfs/dbraw/zinc/87/47/47/861874747.db2.gz OKPWPJUROGJFQB-UKRRQHHQSA-N 2 2 399.366 3.522 20 0 GHADLP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1Cl ZINC000604159481 861874763 /nfs/dbraw/zinc/87/47/63/861874763.db2.gz OKPWPJUROGJFQB-UKRRQHHQSA-N 2 2 399.366 3.522 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]Cc3cccnc3N3CCCC3)CC23CC3)cc1 ZINC000657572071 848231891 /nfs/dbraw/zinc/23/18/91/848231891.db2.gz GUELCWJPAMNPPF-JOCHJYFZSA-N 2 2 376.548 3.969 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]Cc3cccnc3N3CCCC3)CC23CC3)cc1 ZINC000657572071 848231899 /nfs/dbraw/zinc/23/18/99/848231899.db2.gz GUELCWJPAMNPPF-JOCHJYFZSA-N 2 2 376.548 3.969 20 0 GHADLP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)s1 ZINC000162007135 848786916 /nfs/dbraw/zinc/78/69/16/848786916.db2.gz HTNBAQILROTKOY-INIZCTEOSA-N 2 2 389.565 3.576 20 0 GHADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750969 849621980 /nfs/dbraw/zinc/62/19/80/849621980.db2.gz LXONZUKVSSWMJP-LAUBAEHRSA-N 2 2 377.548 3.651 20 0 GHADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425180651 849751650 /nfs/dbraw/zinc/75/16/50/849751650.db2.gz TXUIFUWAXQYFOG-ACRUOGEOSA-N 2 2 382.552 3.949 20 0 GHADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000423224276 849814605 /nfs/dbraw/zinc/81/46/05/849814605.db2.gz BPOUDPMMHKPTHB-QGZVFWFLSA-N 2 2 396.539 3.538 20 0 GHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000423245685 849826778 /nfs/dbraw/zinc/82/67/78/849826778.db2.gz PEXFVHKLLXSXHM-QRWLVFNGSA-N 2 2 375.538 3.532 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1F ZINC000127114967 849907501 /nfs/dbraw/zinc/90/75/01/849907501.db2.gz OSECMVPNSZXOOP-KBPBESRZSA-N 2 2 385.321 3.740 20 0 GHADLP COC[C@@]1(C[NH2+][C@@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CCC[NH2+]1 ZINC000423443295 849919441 /nfs/dbraw/zinc/91/94/41/849919441.db2.gz WXWCBCYQVYAOBZ-UTKZUKDTSA-N 2 2 387.549 3.554 20 0 GHADLP C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425250582 849921396 /nfs/dbraw/zinc/92/13/96/849921396.db2.gz WHWVUBJKEBUDHU-HFSMHLIXSA-N 2 2 380.536 3.701 20 0 GHADLP C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000425250582 849921400 /nfs/dbraw/zinc/92/14/00/849921400.db2.gz WHWVUBJKEBUDHU-HFSMHLIXSA-N 2 2 380.536 3.701 20 0 GHADLP Cc1cc(N2CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000487084856 850436676 /nfs/dbraw/zinc/43/66/76/850436676.db2.gz NWSLKMNDNUCFNC-QGZVFWFLSA-N 2 2 376.545 3.541 20 0 GHADLP Cc1cc(N2CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000487084856 850436680 /nfs/dbraw/zinc/43/66/80/850436680.db2.gz NWSLKMNDNUCFNC-QGZVFWFLSA-N 2 2 376.545 3.541 20 0 GHADLP Clc1cc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc2c1OCCO2 ZINC000435372745 850440316 /nfs/dbraw/zinc/44/03/16/850440316.db2.gz SGMWLEJCXYFRKF-SFHVURJKSA-N 2 2 387.911 3.651 20 0 GHADLP Clc1cc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc2c1OCCO2 ZINC000435372745 850440319 /nfs/dbraw/zinc/44/03/19/850440319.db2.gz SGMWLEJCXYFRKF-SFHVURJKSA-N 2 2 387.911 3.651 20 0 GHADLP CCCOc1ccc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1OC ZINC000435425993 850507731 /nfs/dbraw/zinc/50/77/31/850507731.db2.gz FNRGNBPXTQNXLU-SFHVURJKSA-N 2 2 389.565 3.861 20 0 GHADLP CCCOc1ccc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1OC ZINC000435425993 850507746 /nfs/dbraw/zinc/50/77/46/850507746.db2.gz FNRGNBPXTQNXLU-SFHVURJKSA-N 2 2 389.565 3.861 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](CC(F)(F)F)O1 ZINC000668768446 850621134 /nfs/dbraw/zinc/62/11/34/850621134.db2.gz PNLZDPWSFLQWIA-APWZRJJASA-N 2 2 399.501 3.759 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](CC(F)(F)F)O1 ZINC000668768446 850621138 /nfs/dbraw/zinc/62/11/38/850621138.db2.gz PNLZDPWSFLQWIA-APWZRJJASA-N 2 2 399.501 3.759 20 0 GHADLP CCn1ccnc1C[N@H+](CCOc1cccc(Cl)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435690874 850769443 /nfs/dbraw/zinc/76/94/43/850769443.db2.gz BYQGHVNJTDGYLE-LJQANCHMSA-N 2 2 388.943 3.580 20 0 GHADLP CCn1ccnc1C[N@@H+](CCOc1cccc(Cl)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435690874 850769454 /nfs/dbraw/zinc/76/94/54/850769454.db2.gz BYQGHVNJTDGYLE-LJQANCHMSA-N 2 2 388.943 3.580 20 0 GHADLP CCn1ccnc1C[N@H+](CCOc1ccc(Cl)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435695373 850776409 /nfs/dbraw/zinc/77/64/09/850776409.db2.gz QPTIIZLADYMVSU-LJQANCHMSA-N 2 2 388.943 3.580 20 0 GHADLP CCn1ccnc1C[N@@H+](CCOc1ccc(Cl)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435695373 850776412 /nfs/dbraw/zinc/77/64/12/850776412.db2.gz QPTIIZLADYMVSU-LJQANCHMSA-N 2 2 388.943 3.580 20 0 GHADLP Oc1cccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1Br ZINC000415008860 850799688 /nfs/dbraw/zinc/79/96/88/850799688.db2.gz SSJUPQSTFNLHGW-DOTOQJQBSA-N 2 2 393.300 3.777 20 0 GHADLP Cc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000515259070 850834626 /nfs/dbraw/zinc/83/46/26/850834626.db2.gz LNSYRXIYYAAHEI-RTWAWAEBSA-N 2 2 391.625 3.785 20 0 GHADLP Cc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000515259070 850834637 /nfs/dbraw/zinc/83/46/37/850834637.db2.gz LNSYRXIYYAAHEI-RTWAWAEBSA-N 2 2 391.625 3.785 20 0 GHADLP CC(C)(C)c1cc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)on1 ZINC000515313634 850907591 /nfs/dbraw/zinc/90/75/91/850907591.db2.gz VEXSGUYQDNBLAJ-SFHVURJKSA-N 2 2 398.551 3.801 20 0 GHADLP CC(C)(C)c1cc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)on1 ZINC000515313634 850907601 /nfs/dbraw/zinc/90/76/01/850907601.db2.gz VEXSGUYQDNBLAJ-SFHVURJKSA-N 2 2 398.551 3.801 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000057609238 862191564 /nfs/dbraw/zinc/19/15/64/862191564.db2.gz MMBVKWXXMLNZAN-UHFFFAOYSA-N 2 2 396.535 3.644 20 0 GHADLP CC[C@H]1C[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000647938765 850989065 /nfs/dbraw/zinc/98/90/65/850989065.db2.gz UGOAPGRQOUFBMT-RXVVDRJESA-N 2 2 375.532 3.546 20 0 GHADLP CC[C@H]1C[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000647938765 850989068 /nfs/dbraw/zinc/98/90/68/850989068.db2.gz UGOAPGRQOUFBMT-RXVVDRJESA-N 2 2 375.532 3.546 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)[C@H](C)C1 ZINC000180523667 862204998 /nfs/dbraw/zinc/20/49/98/862204998.db2.gz GVZQAPYPKAAODV-BXUZGUMPSA-N 2 2 377.273 3.870 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)[C@H](C)C1 ZINC000180523667 862205012 /nfs/dbraw/zinc/20/50/12/862205012.db2.gz GVZQAPYPKAAODV-BXUZGUMPSA-N 2 2 377.273 3.870 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000434679804 851448262 /nfs/dbraw/zinc/44/82/62/851448262.db2.gz QQUOAGSIFUYIII-GHTZIAJQSA-N 2 2 384.568 3.580 20 0 GHADLP COc1ccc(C[C@H](C)[NH2+]CC2([NH+](C)C)Cc3ccccc3C2)c(C)c1OC ZINC000519556561 851707661 /nfs/dbraw/zinc/70/76/61/851707661.db2.gz HRRPOVYCXYIORV-KRWDZBQOSA-N 2 2 382.548 3.632 20 0 GHADLP CC1(C)C[N@H+](Cc2nnc3n2CCCC3)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664839453 851922358 /nfs/dbraw/zinc/92/23/58/851922358.db2.gz ZCIDDOYKHAYBBX-HSZRJFAPSA-N 2 2 393.579 3.737 20 0 GHADLP CC1(C)C[N@@H+](Cc2nnc3n2CCCC3)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664839453 851922372 /nfs/dbraw/zinc/92/23/72/851922372.db2.gz ZCIDDOYKHAYBBX-HSZRJFAPSA-N 2 2 393.579 3.737 20 0 GHADLP C[N@H+](Cc1cccc(Br)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940384 851927863 /nfs/dbraw/zinc/92/78/63/851927863.db2.gz WRSKFOSAEVRJOO-HXUWFJFHSA-N 2 2 389.337 3.518 20 0 GHADLP C[N@@H+](Cc1cccc(Br)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940384 851927873 /nfs/dbraw/zinc/92/78/73/851927873.db2.gz WRSKFOSAEVRJOO-HXUWFJFHSA-N 2 2 389.337 3.518 20 0 GHADLP C[NH+](Cc1cccc(Br)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425940384 851927877 /nfs/dbraw/zinc/92/78/77/851927877.db2.gz WRSKFOSAEVRJOO-HXUWFJFHSA-N 2 2 389.337 3.518 20 0 GHADLP C[NH+](Cc1cccc(Br)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425940384 851927887 /nfs/dbraw/zinc/92/78/87/851927887.db2.gz WRSKFOSAEVRJOO-HXUWFJFHSA-N 2 2 389.337 3.518 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000438104735 852033733 /nfs/dbraw/zinc/03/37/33/852033733.db2.gz MCODKUNDXCKEPC-XMSQKQJNSA-N 2 2 396.531 3.967 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000438104735 852033746 /nfs/dbraw/zinc/03/37/46/852033746.db2.gz MCODKUNDXCKEPC-XMSQKQJNSA-N 2 2 396.531 3.967 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000438104735 852033755 /nfs/dbraw/zinc/03/37/55/852033755.db2.gz MCODKUNDXCKEPC-XMSQKQJNSA-N 2 2 396.531 3.967 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000438104735 852033764 /nfs/dbraw/zinc/03/37/64/852033764.db2.gz MCODKUNDXCKEPC-XMSQKQJNSA-N 2 2 396.531 3.967 20 0 GHADLP CC(C)c1[nH+]c(CN(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c2ccccn21 ZINC000516073827 852119332 /nfs/dbraw/zinc/11/93/32/852119332.db2.gz DGEOWVGQUWSNHG-PGRDOPGGSA-N 2 2 394.567 3.706 20 0 GHADLP CC(C)c1[nH+]c(CN(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)c2ccccn21 ZINC000516073827 852119337 /nfs/dbraw/zinc/11/93/37/852119337.db2.gz DGEOWVGQUWSNHG-PGRDOPGGSA-N 2 2 394.567 3.706 20 0 GHADLP CCCc1cc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n2ncnc2n1 ZINC000150877418 852524325 /nfs/dbraw/zinc/52/43/25/852524325.db2.gz MGXSOBHWRJSKOU-UHFFFAOYSA-N 2 2 393.539 3.598 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)n2)CC1 ZINC000438573587 852573598 /nfs/dbraw/zinc/57/35/98/852573598.db2.gz MNJOIVYFRPRAGC-GOSISDBHSA-N 2 2 376.570 3.721 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)n2)CC1 ZINC000438573587 852573603 /nfs/dbraw/zinc/57/36/03/852573603.db2.gz MNJOIVYFRPRAGC-GOSISDBHSA-N 2 2 376.570 3.721 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000518262578 853153200 /nfs/dbraw/zinc/15/32/00/853153200.db2.gz OVSNIOOXUKAGCM-UYAOXDASSA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000518262578 853153204 /nfs/dbraw/zinc/15/32/04/853153204.db2.gz OVSNIOOXUKAGCM-UYAOXDASSA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000518262578 853153211 /nfs/dbraw/zinc/15/32/11/853153211.db2.gz OVSNIOOXUKAGCM-UYAOXDASSA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000518262578 853153216 /nfs/dbraw/zinc/15/32/16/853153216.db2.gz OVSNIOOXUKAGCM-UYAOXDASSA-N 2 2 382.504 3.583 20 0 GHADLP Cc1nc(COc2ccc(C[NH2+][C@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)cc2)no1 ZINC000518280267 853158279 /nfs/dbraw/zinc/15/82/79/853158279.db2.gz ZSVZHQICOVIGAZ-KRWDZBQOSA-N 2 2 395.507 3.556 20 0 GHADLP C[NH+](C)CCC[C@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CCO1 ZINC000664656519 853500255 /nfs/dbraw/zinc/50/02/55/853500255.db2.gz HIOULASCDZJYIS-ZDUSSCGKSA-N 2 2 396.304 3.683 20 0 GHADLP FC(F)(F)c1cccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000517226373 853535819 /nfs/dbraw/zinc/53/58/19/853535819.db2.gz QHLLEXXMAIVZQD-GDBMZVCRSA-N 2 2 380.414 3.719 20 0 GHADLP FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000517226373 853535826 /nfs/dbraw/zinc/53/58/26/853535826.db2.gz QHLLEXXMAIVZQD-GDBMZVCRSA-N 2 2 380.414 3.719 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000440823920 853677040 /nfs/dbraw/zinc/67/70/40/853677040.db2.gz HFPWCHWRPPHJLS-SJBKTWHCSA-N 2 2 397.567 3.803 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c(C)c1 ZINC000440823920 853677047 /nfs/dbraw/zinc/67/70/47/853677047.db2.gz HFPWCHWRPPHJLS-SJBKTWHCSA-N 2 2 397.567 3.803 20 0 GHADLP O=C(Nc1ccccc1-n1cc[nH+]c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520093555 853828233 /nfs/dbraw/zinc/82/82/33/853828233.db2.gz YBBOLKMNKHEXBN-GOSISDBHSA-N 2 2 378.451 3.862 20 0 GHADLP O=C(Nc1ccccc1-n1cc[nH+]c1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520093555 853828236 /nfs/dbraw/zinc/82/82/36/853828236.db2.gz YBBOLKMNKHEXBN-GOSISDBHSA-N 2 2 378.451 3.862 20 0 GHADLP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000623902422 862505236 /nfs/dbraw/zinc/50/52/36/862505236.db2.gz HQVAXCKNSFISEF-NHYWBVRUSA-N 2 2 381.895 3.712 20 0 GHADLP CC1CC[NH+](C[C@H]2CCCN(c3nc(N4Cc5ccccc5C4)cc[nH+]3)C2)CC1 ZINC000623912141 862514157 /nfs/dbraw/zinc/51/41/57/862514157.db2.gz ZWQLXZDOVIGTIO-HXUWFJFHSA-N 2 2 391.563 3.945 20 0 GHADLP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000416938629 854027344 /nfs/dbraw/zinc/02/73/44/854027344.db2.gz LIBQIQNQEMBJOB-NRFANRHFSA-N 2 2 395.551 3.695 20 0 GHADLP Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441382261 854142951 /nfs/dbraw/zinc/14/29/51/854142951.db2.gz KJBHHCJTHBCTFY-NFBKMPQASA-N 2 2 390.531 3.844 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)c(C)c1 ZINC000441370989 854155024 /nfs/dbraw/zinc/15/50/24/854155024.db2.gz JNUBZUQZLFZTMT-IVOMFYJKSA-N 2 2 382.552 3.914 20 0 GHADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3coc(-c4cccs4)n3)CC2)C[C@@H](C)O1 ZINC000588711339 854369362 /nfs/dbraw/zinc/36/93/62/854369362.db2.gz ZHKQTUQXDVWJOC-HZPDHXFCSA-N 2 2 375.538 3.724 20 0 GHADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3coc(-c4cccs4)n3)CC2)C[C@H](C)O1 ZINC000588711337 854369674 /nfs/dbraw/zinc/36/96/74/854369674.db2.gz ZHKQTUQXDVWJOC-HOTGVXAUSA-N 2 2 375.538 3.724 20 0 GHADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)CC1 ZINC000058581674 854591711 /nfs/dbraw/zinc/59/17/11/854591711.db2.gz FUUBKIWJHUZHPX-NRFANRHFSA-N 2 2 383.561 3.538 20 0 GHADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccsc2)CC1 ZINC000058581674 854591717 /nfs/dbraw/zinc/59/17/17/854591717.db2.gz FUUBKIWJHUZHPX-NRFANRHFSA-N 2 2 383.561 3.538 20 0 GHADLP COc1ccc([C@H]2C[C@H]([NH2+]CC3CCN(c4cccc[nH+]4)CC3)CCO2)cc1 ZINC001168603716 854679970 /nfs/dbraw/zinc/67/99/70/854679970.db2.gz XOGGMEYYZBZHLB-IFMALSPDSA-N 2 2 381.520 3.817 20 0 GHADLP O=C1[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCN1c1ccccc1Cl ZINC000111372062 854746216 /nfs/dbraw/zinc/74/62/16/854746216.db2.gz HAUCNUCMHBICGC-NRFANRHFSA-N 2 2 397.950 3.742 20 0 GHADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)s2)cc1 ZINC000765791449 854820073 /nfs/dbraw/zinc/82/00/73/854820073.db2.gz JFBLTUKADLMXHR-FNHZYXHNSA-N 2 2 387.549 3.641 20 0 GHADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)s2)cc1 ZINC000765791449 854820078 /nfs/dbraw/zinc/82/00/78/854820078.db2.gz JFBLTUKADLMXHR-FNHZYXHNSA-N 2 2 387.549 3.641 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3ccccc3C[N@H+]3CCCC[C@H]3C)[nH+]c12 ZINC000624580015 854917681 /nfs/dbraw/zinc/91/76/81/854917681.db2.gz GZHHUXPQZWJODJ-LJQANCHMSA-N 2 2 390.531 3.876 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3ccccc3C[N@@H+]3CCCC[C@H]3C)[nH+]c12 ZINC000624580015 854917687 /nfs/dbraw/zinc/91/76/87/854917687.db2.gz GZHHUXPQZWJODJ-LJQANCHMSA-N 2 2 390.531 3.876 20 0 GHADLP CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000572709459 854942472 /nfs/dbraw/zinc/94/24/72/854942472.db2.gz CWLLFSDGMWUKIW-GOSISDBHSA-N 2 2 381.520 3.673 20 0 GHADLP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2)CC1 ZINC000590353893 855379549 /nfs/dbraw/zinc/37/95/49/855379549.db2.gz YENJULQZEXUQNC-NRFANRHFSA-N 2 2 395.551 3.731 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c(C)c1 ZINC000441499145 855478833 /nfs/dbraw/zinc/47/88/33/855478833.db2.gz GTJMIZAXKHUULR-IRLDBZIGSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c(C)c1 ZINC000441499145 855478836 /nfs/dbraw/zinc/47/88/36/855478836.db2.gz GTJMIZAXKHUULR-IRLDBZIGSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000441530895 855584180 /nfs/dbraw/zinc/58/41/80/855584180.db2.gz GZFLLGGWNIWGFS-VXKWHMMOSA-N 2 2 378.564 3.985 20 0 GHADLP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000441530895 855584185 /nfs/dbraw/zinc/58/41/85/855584185.db2.gz GZFLLGGWNIWGFS-VXKWHMMOSA-N 2 2 378.564 3.985 20 0 GHADLP C[C@H]1C[N@H+](CCCc2c(Cl)cccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000482158427 862752810 /nfs/dbraw/zinc/75/28/10/862752810.db2.gz SYVKSXREGKWSSR-JXFKEZNVSA-N 2 2 384.395 3.884 20 0 GHADLP C[C@H]1C[N@@H+](CCCc2c(Cl)cccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000482158427 862752818 /nfs/dbraw/zinc/75/28/18/862752818.db2.gz SYVKSXREGKWSSR-JXFKEZNVSA-N 2 2 384.395 3.884 20 0 GHADLP Oc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc(C(F)(F)F)c1 ZINC000573408494 856142728 /nfs/dbraw/zinc/14/27/28/856142728.db2.gz FHITZESEHVVTAU-UHFFFAOYSA-N 2 2 380.410 3.533 20 0 GHADLP CC(C)[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccccc1 ZINC000428839642 856219176 /nfs/dbraw/zinc/21/91/76/856219176.db2.gz LCBFPRVTJGKHLN-HXUWFJFHSA-N 2 2 380.536 3.592 20 0 GHADLP CC(C)[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccccc1 ZINC000428839642 856219181 /nfs/dbraw/zinc/21/91/81/856219181.db2.gz LCBFPRVTJGKHLN-HXUWFJFHSA-N 2 2 380.536 3.592 20 0 GHADLP Brc1ccn2cc(C[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)nc2c1 ZINC000573491911 856255651 /nfs/dbraw/zinc/25/56/51/856255651.db2.gz NRBGZNGKMZOMCD-UHFFFAOYSA-N 2 2 396.292 3.631 20 0 GHADLP CC1CC[NH+](CCCNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000043546557 856542088 /nfs/dbraw/zinc/54/20/88/856542088.db2.gz AKJUBDJKVFRTNN-KRWDZBQOSA-N 2 2 393.601 3.619 20 0 GHADLP CC1CC[NH+](CCCNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000043546557 856542092 /nfs/dbraw/zinc/54/20/92/856542092.db2.gz AKJUBDJKVFRTNN-KRWDZBQOSA-N 2 2 393.601 3.619 20 0 GHADLP COc1ccc([C@H]2C[C@@H](N(c3ccc(C)c[nH+]3)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168677956 856624826 /nfs/dbraw/zinc/62/48/26/856624826.db2.gz ROYWBZHEVKWECM-RBBKRZOGSA-N 2 2 381.520 3.877 20 0 GHADLP CCN(C(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC000507898269 856647579 /nfs/dbraw/zinc/64/75/79/856647579.db2.gz XGQQZLSJYRBTGX-PGRDOPGGSA-N 2 2 376.504 3.972 20 0 GHADLP CCN(C(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC000507898269 856647584 /nfs/dbraw/zinc/64/75/84/856647584.db2.gz XGQQZLSJYRBTGX-PGRDOPGGSA-N 2 2 376.504 3.972 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000665253051 857017204 /nfs/dbraw/zinc/01/72/04/857017204.db2.gz DUEMKCFADUHMJX-JJEOQYAHSA-N 3 2 385.527 3.562 20 0 GHADLP CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465929896 857048385 /nfs/dbraw/zinc/04/83/85/857048385.db2.gz HTOPJCXNMVVWMR-RTWAWAEBSA-N 2 2 392.632 3.841 20 0 GHADLP CN(C(=O)N[C@@H]1CCc2ccccc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000158399991 857139354 /nfs/dbraw/zinc/13/93/54/857139354.db2.gz WVVUDTVGFLDGCG-VJBWXMMDSA-N 2 2 398.595 3.653 20 0 GHADLP CN(C(=O)N[C@@H]1CCc2ccccc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000158399991 857139358 /nfs/dbraw/zinc/13/93/58/857139358.db2.gz WVVUDTVGFLDGCG-VJBWXMMDSA-N 2 2 398.595 3.653 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000057376490 857196083 /nfs/dbraw/zinc/19/60/83/857196083.db2.gz MMBHZENWZHPMSP-LJQANCHMSA-N 2 2 383.540 3.537 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000057376490 857196084 /nfs/dbraw/zinc/19/60/84/857196084.db2.gz MMBHZENWZHPMSP-LJQANCHMSA-N 2 2 383.540 3.537 20 0 GHADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000593293278 857456569 /nfs/dbraw/zinc/45/65/69/857456569.db2.gz PDVBYDSRTBWCNP-IRLDBZIGSA-N 2 2 384.499 3.707 20 0 GHADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000593293278 857456581 /nfs/dbraw/zinc/45/65/81/857456581.db2.gz PDVBYDSRTBWCNP-IRLDBZIGSA-N 2 2 384.499 3.707 20 0 GHADLP c1ccc(N2CCC([NH2+]Cc3cccc(COC[C@H]4CCCO4)c3)CC2)[nH+]c1 ZINC000658349045 857464140 /nfs/dbraw/zinc/46/41/40/857464140.db2.gz RGHWPLRKWBCNCQ-JOCHJYFZSA-N 2 2 381.520 3.536 20 0 GHADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000672578856 857494734 /nfs/dbraw/zinc/49/47/34/857494734.db2.gz ANXAZWBLFVUOQG-LMNJBCLMSA-N 2 2 397.588 3.910 20 0 GHADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000672578856 857494738 /nfs/dbraw/zinc/49/47/38/857494738.db2.gz ANXAZWBLFVUOQG-LMNJBCLMSA-N 2 2 397.588 3.910 20 0 GHADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000672578856 857494748 /nfs/dbraw/zinc/49/47/48/857494748.db2.gz ANXAZWBLFVUOQG-LMNJBCLMSA-N 2 2 397.588 3.910 20 0 GHADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000672578856 857494763 /nfs/dbraw/zinc/49/47/63/857494763.db2.gz ANXAZWBLFVUOQG-LMNJBCLMSA-N 2 2 397.588 3.910 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000574286735 857496885 /nfs/dbraw/zinc/49/68/85/857496885.db2.gz NPVSRXIYTPPMDF-UHFFFAOYSA-N 2 2 388.899 3.649 20 0 GHADLP Cc1oc2nc(C[N@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)nc(N)c2c1C ZINC000521046494 857539197 /nfs/dbraw/zinc/53/91/97/857539197.db2.gz UQPOWABGEQFUNA-MRXNPFEDSA-N 2 2 397.548 3.628 20 0 GHADLP Cc1oc2nc(C[N@@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)nc(N)c2c1C ZINC000521046494 857539208 /nfs/dbraw/zinc/53/92/08/857539208.db2.gz UQPOWABGEQFUNA-MRXNPFEDSA-N 2 2 397.548 3.628 20 0 GHADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1)c1cccc(-n2cnnn2)c1 ZINC000675763223 857592074 /nfs/dbraw/zinc/59/20/74/857592074.db2.gz IVKIODBYUIATAI-WMZHIEFXSA-N 2 2 390.535 3.786 20 0 GHADLP CN(C(=O)CC1CCC(C(C)(C)C)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675792507 857615624 /nfs/dbraw/zinc/61/56/24/857615624.db2.gz IOLPYBBWDNFVMB-GRERDSQWSA-N 2 2 377.617 3.856 20 0 GHADLP CN(C(=O)CC1CCC(C(C)(C)C)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675792507 857615627 /nfs/dbraw/zinc/61/56/27/857615627.db2.gz IOLPYBBWDNFVMB-GRERDSQWSA-N 2 2 377.617 3.856 20 0 GHADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000181591788 862932282 /nfs/dbraw/zinc/93/22/82/862932282.db2.gz UALKJEMEIIWRKV-KRWDZBQOSA-N 2 2 378.520 3.993 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccc(F)cc2O1 ZINC000675898001 857654525 /nfs/dbraw/zinc/65/45/25/857654525.db2.gz CEPZJXJZMCBAQI-OFNKIYASSA-N 2 2 384.495 3.655 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccc(F)cc2O1 ZINC000675898001 857654528 /nfs/dbraw/zinc/65/45/28/857654528.db2.gz CEPZJXJZMCBAQI-OFNKIYASSA-N 2 2 384.495 3.655 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nc(C)c(C)s2)CC1 ZINC000181632544 862947535 /nfs/dbraw/zinc/94/75/35/862947535.db2.gz IXEGZLMCWNWCGX-HNNXBMFYSA-N 2 2 376.545 3.892 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000521533641 858082034 /nfs/dbraw/zinc/08/20/34/858082034.db2.gz XKBACJHVTDNZCP-GOSISDBHSA-N 2 2 378.451 3.862 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000521533641 858082039 /nfs/dbraw/zinc/08/20/39/858082039.db2.gz XKBACJHVTDNZCP-GOSISDBHSA-N 2 2 378.451 3.862 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1 ZINC000574561012 858083604 /nfs/dbraw/zinc/08/36/04/858083604.db2.gz AWOZUXFGUKUHTF-LJQANCHMSA-N 2 2 376.460 3.818 20 0 GHADLP [NH3+]CCCC[C@H]([NH2+][C@@H]1Cc2cccc(Cl)c2C1)C(=O)OCc1ccccc1 ZINC001168703086 858174464 /nfs/dbraw/zinc/17/44/64/858174464.db2.gz ZADCAOYCOFNBBA-NQIIRXRSSA-N 2 2 386.923 3.638 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC[NH+]3[C@@H](C)CCC[C@@H]3C)n2)C1 ZINC000521696105 858239309 /nfs/dbraw/zinc/23/93/09/858239309.db2.gz GXJWSWFLTGCOOL-IKGGRYGDSA-N 2 2 393.601 3.759 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC[NH+]3[C@@H](C)CCC[C@@H]3C)n2)C1 ZINC000521696105 858239311 /nfs/dbraw/zinc/23/93/11/858239311.db2.gz GXJWSWFLTGCOOL-IKGGRYGDSA-N 2 2 393.601 3.759 20 0 GHADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000594921422 858305161 /nfs/dbraw/zinc/30/51/61/858305161.db2.gz DHDUTGMHQPPIKX-MQNAVGNWSA-N 2 2 389.499 3.886 20 0 GHADLP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000543096276 858330197 /nfs/dbraw/zinc/33/01/97/858330197.db2.gz YGHRZXFXOYDZOX-UHFFFAOYSA-N 2 2 395.551 3.522 20 0 GHADLP COc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000676712011 858773701 /nfs/dbraw/zinc/77/37/01/858773701.db2.gz ASXKFGXRYBVUIF-RDTXWAMCSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000676712011 858773710 /nfs/dbraw/zinc/77/37/10/858773710.db2.gz ASXKFGXRYBVUIF-RDTXWAMCSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676712011 858773722 /nfs/dbraw/zinc/77/37/22/858773722.db2.gz ASXKFGXRYBVUIF-RDTXWAMCSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000676712011 858773730 /nfs/dbraw/zinc/77/37/30/858773730.db2.gz ASXKFGXRYBVUIF-RDTXWAMCSA-N 2 2 379.342 3.906 20 0 GHADLP CN(C(=O)[C@H]1C[C@H]1c1cccc2ccccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478221 859289007 /nfs/dbraw/zinc/28/90/07/859289007.db2.gz XUFLVLMQMKGOGI-OYDLWJJNSA-N 2 2 391.559 3.570 20 0 GHADLP CN(C(=O)[C@H]1C[C@H]1c1cccc2ccccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478221 859289019 /nfs/dbraw/zinc/28/90/19/859289019.db2.gz XUFLVLMQMKGOGI-OYDLWJJNSA-N 2 2 391.559 3.570 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@@H](C[NH2+]C1CCN(c3cccc[nH+]3)CC1)CCC2 ZINC000597200233 859357308 /nfs/dbraw/zinc/35/73/08/859357308.db2.gz HORNXBGRRNKRQI-LJQANCHMSA-N 2 2 379.504 3.547 20 0 GHADLP CCOC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000597228681 859362435 /nfs/dbraw/zinc/36/24/35/859362435.db2.gz FSZSRBRUHXYPKF-LJQANCHMSA-N 2 2 382.504 3.848 20 0 GHADLP CCOC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000597228681 859362444 /nfs/dbraw/zinc/36/24/44/859362444.db2.gz FSZSRBRUHXYPKF-LJQANCHMSA-N 2 2 382.504 3.848 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)CN1CCN(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483734982 859572980 /nfs/dbraw/zinc/57/29/80/859572980.db2.gz YJXPTRCWZXLTHL-LEWJYISDSA-N 2 2 389.547 3.734 20 0 GHADLP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483734986 859574028 /nfs/dbraw/zinc/57/40/28/859574028.db2.gz YJXPTRCWZXLTHL-RTWAWAEBSA-N 2 2 389.547 3.734 20 0 GHADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccco3)c3ccccc3)cn2)CC1 ZINC000543408016 859604630 /nfs/dbraw/zinc/60/46/30/859604630.db2.gz QBIPNDKLNUBULO-HSZRJFAPSA-N 2 2 376.504 3.696 20 0 GHADLP C[S@@](=O)CC[NH+]1CCN(c2cc[nH+]c3ccc(Oc4ccccc4)cc32)CC1 ZINC000764838737 859636269 /nfs/dbraw/zinc/63/62/69/859636269.db2.gz KOXAUDMSVLXNSL-MUUNZHRXSA-N 2 2 395.528 3.528 20 0 GHADLP COc1cccc(CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1OC ZINC000765125725 859803565 /nfs/dbraw/zinc/80/35/65/859803565.db2.gz PNMNPOPSYJOXIN-UHFFFAOYSA-N 2 2 383.536 3.571 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC3CCC(c4ccccc4)CC3)C2)CC1 ZINC000602192858 859830586 /nfs/dbraw/zinc/83/05/86/859830586.db2.gz CNUYMTFDAZBPLO-VTLFHKLASA-N 2 2 383.580 3.635 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC3CCC(c4ccccc4)CC3)C2)CC1 ZINC000602192858 859830597 /nfs/dbraw/zinc/83/05/97/859830597.db2.gz CNUYMTFDAZBPLO-VTLFHKLASA-N 2 2 383.580 3.635 20 0 GHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CCCO2 ZINC000484174835 859847863 /nfs/dbraw/zinc/84/78/63/859847863.db2.gz SLQLSPPIZGCDLG-LADGPHEKSA-N 2 2 380.532 3.744 20 0 GHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CCCO2 ZINC000484174835 859847878 /nfs/dbraw/zinc/84/78/78/859847878.db2.gz SLQLSPPIZGCDLG-LADGPHEKSA-N 2 2 380.532 3.744 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OC(F)F)cc1 ZINC000484158024 859853114 /nfs/dbraw/zinc/85/31/14/859853114.db2.gz JUWVJJGQZXPEHH-LDQXTDLNSA-N 2 2 390.474 3.822 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OC(F)F)cc1 ZINC000484158024 859853116 /nfs/dbraw/zinc/85/31/16/859853116.db2.gz JUWVJJGQZXPEHH-LDQXTDLNSA-N 2 2 390.474 3.822 20 0 GHADLP O[C@]1(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484166242 859858393 /nfs/dbraw/zinc/85/83/93/859858393.db2.gz UQHNOXXWJKWHNN-UNMCSNQZSA-N 2 2 386.923 3.780 20 0 GHADLP O[C@]1(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484166242 859858403 /nfs/dbraw/zinc/85/84/03/859858403.db2.gz UQHNOXXWJKWHNN-UNMCSNQZSA-N 2 2 386.923 3.780 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765250430 859866001 /nfs/dbraw/zinc/86/60/01/859866001.db2.gz MEPSVGCFMSPKOI-APWZRJJASA-N 2 2 390.959 3.978 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765253973 859867639 /nfs/dbraw/zinc/86/76/39/859867639.db2.gz WDNWJJDDLGMKIG-KSSFIOAISA-N 2 2 392.931 3.967 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000474389093 859979388 /nfs/dbraw/zinc/97/93/88/859979388.db2.gz LBPZQDFTVXYBPV-NRFANRHFSA-N 2 2 398.457 3.576 20 0 GHADLP CCc1ccc([C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+](C)C)cc1 ZINC000474392581 859985987 /nfs/dbraw/zinc/98/59/87/859985987.db2.gz PGTGXIHLBGKKHZ-NQIIRXRSSA-N 2 2 382.552 3.620 20 0 GHADLP CCc1ccc([C@H](CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[NH+](C)C)cc1 ZINC000474392581 859985995 /nfs/dbraw/zinc/98/59/95/859985995.db2.gz PGTGXIHLBGKKHZ-NQIIRXRSSA-N 2 2 382.552 3.620 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1nc(Br)cs1 ZINC000842922798 860170342 /nfs/dbraw/zinc/17/03/42/860170342.db2.gz DRFJZGDCRRQESY-YUELXQCFSA-N 2 2 380.355 3.902 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1nc(Br)cs1 ZINC000842922798 860170346 /nfs/dbraw/zinc/17/03/46/860170346.db2.gz DRFJZGDCRRQESY-YUELXQCFSA-N 2 2 380.355 3.902 20 0 GHADLP Cc1nc2sc3c(c2c(NCC[NH+]2CCC([NH+](C)C)CC2)n1)CCCCC3 ZINC000484818309 860378012 /nfs/dbraw/zinc/37/80/12/860378012.db2.gz CVWXDWCDEWCYGX-UHFFFAOYSA-N 2 2 387.597 3.707 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCc3cccnc3CC2)CCOCC1 ZINC000922744475 860548614 /nfs/dbraw/zinc/54/86/14/860548614.db2.gz YESKZASMCSPVBH-QFIPXVFZSA-N 2 2 379.548 3.600 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCc3cccnc3CC2)CCOCC1 ZINC000922744475 860548618 /nfs/dbraw/zinc/54/86/18/860548618.db2.gz YESKZASMCSPVBH-QFIPXVFZSA-N 2 2 379.548 3.600 20 0 GHADLP CC(C)c1noc([C@H](C)[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)n1 ZINC000856598324 881572864 /nfs/dbraw/zinc/57/28/64/881572864.db2.gz HOWPXUNUJXYQNI-LPHOPBHVSA-N 2 2 387.528 3.643 20 0 GHADLP CC(C)c1noc([C@H](C)[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)n1 ZINC000856598324 881572874 /nfs/dbraw/zinc/57/28/74/881572874.db2.gz HOWPXUNUJXYQNI-LPHOPBHVSA-N 2 2 387.528 3.643 20 0 GHADLP CC(C)c1noc([C@H](C)[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)n1 ZINC000856598324 881572890 /nfs/dbraw/zinc/57/28/90/881572890.db2.gz HOWPXUNUJXYQNI-LPHOPBHVSA-N 2 2 387.528 3.643 20 0 GHADLP CC(C)c1noc([C@H](C)[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)n1 ZINC000856598324 881572909 /nfs/dbraw/zinc/57/29/09/881572909.db2.gz HOWPXUNUJXYQNI-LPHOPBHVSA-N 2 2 387.528 3.643 20 0 GHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)[C@H]2CCCN(C(C)C)C2=O)cc1 ZINC000192720733 860928330 /nfs/dbraw/zinc/92/83/30/860928330.db2.gz WBQDNMDYPAVZCE-QFIPXVFZSA-N 2 2 398.551 3.574 20 0 GHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)[C@H]2CCCN(C(C)C)C2=O)cc1 ZINC000192720733 860928343 /nfs/dbraw/zinc/92/83/43/860928343.db2.gz WBQDNMDYPAVZCE-QFIPXVFZSA-N 2 2 398.551 3.574 20 0 GHADLP CC[NH+](CC)CCCC1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000182453262 863232577 /nfs/dbraw/zinc/23/25/77/863232577.db2.gz MHZADPGPOVMCHI-UHFFFAOYSA-N 2 2 397.567 3.916 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3cc4ccccc4[nH]c3=O)CC2)c1 ZINC000605811256 863250219 /nfs/dbraw/zinc/25/02/19/863250219.db2.gz IJCICWITESETIF-UHFFFAOYSA-N 2 2 390.531 3.551 20 0 GHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000172224673 863358140 /nfs/dbraw/zinc/35/81/40/863358140.db2.gz CQNCEQXNMVGGJU-FPOVZHCZSA-N 2 2 395.551 3.668 20 0 GHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000172224673 863358155 /nfs/dbraw/zinc/35/81/55/863358155.db2.gz CQNCEQXNMVGGJU-FPOVZHCZSA-N 2 2 395.551 3.668 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 ZINC000183148353 863487229 /nfs/dbraw/zinc/48/72/29/863487229.db2.gz YPWAYROBBRZTNE-NYHFZMIOSA-N 2 2 392.478 3.990 20 0 GHADLP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Nc1ccc2[nH+]ccn2c1 ZINC000606582393 863730127 /nfs/dbraw/zinc/73/01/27/863730127.db2.gz NJOPBEDLWJAWCB-SFHVURJKSA-N 2 2 383.883 3.946 20 0 GHADLP NC(=O)c1cccc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000103346144 863966646 /nfs/dbraw/zinc/96/66/46/863966646.db2.gz WWSBRCIRDPUDJJ-UHFFFAOYSA-N 2 2 396.494 3.987 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3sccc3C[NH+](C)C)c2)C[C@H](C)O1 ZINC000532298840 881714133 /nfs/dbraw/zinc/71/41/33/881714133.db2.gz QORMMDDJIRZVGD-IYBDPMFKSA-N 2 2 387.549 3.671 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3sccc3C[NH+](C)C)c2)C[C@H](C)O1 ZINC000532298840 881714146 /nfs/dbraw/zinc/71/41/46/881714146.db2.gz QORMMDDJIRZVGD-IYBDPMFKSA-N 2 2 387.549 3.671 20 0 GHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](Cc2ccco2)C(C)C)CC1 ZINC000621272697 864039770 /nfs/dbraw/zinc/03/97/70/864039770.db2.gz PCNQTZJWIZKPMD-UHFFFAOYSA-N 2 2 383.536 3.533 20 0 GHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](Cc2ccco2)C(C)C)CC1 ZINC000621272697 864039782 /nfs/dbraw/zinc/03/97/82/864039782.db2.gz PCNQTZJWIZKPMD-UHFFFAOYSA-N 2 2 383.536 3.533 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](Cc2ccco2)C(C)C)CC1 ZINC000621272697 864039803 /nfs/dbraw/zinc/03/98/03/864039803.db2.gz PCNQTZJWIZKPMD-UHFFFAOYSA-N 2 2 383.536 3.533 20 0 GHADLP CCC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1F ZINC000621296654 864072456 /nfs/dbraw/zinc/07/24/56/864072456.db2.gz DMLVWLCWYVGEFX-UHFFFAOYSA-N 2 2 397.538 3.950 20 0 GHADLP CCC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1F ZINC000621296654 864072475 /nfs/dbraw/zinc/07/24/75/864072475.db2.gz DMLVWLCWYVGEFX-UHFFFAOYSA-N 2 2 397.538 3.950 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000607284969 864241362 /nfs/dbraw/zinc/24/13/62/864241362.db2.gz XTWSOZZAFFWMPV-QFIPXVFZSA-N 2 2 392.478 3.682 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000607284969 864241376 /nfs/dbraw/zinc/24/13/76/864241376.db2.gz XTWSOZZAFFWMPV-QFIPXVFZSA-N 2 2 392.478 3.682 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000163386760 864505999 /nfs/dbraw/zinc/50/59/99/864505999.db2.gz JLSYDCPOXBQGLY-ZNLUXHQJSA-N 2 2 384.955 3.814 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000163386760 864506009 /nfs/dbraw/zinc/50/60/09/864506009.db2.gz JLSYDCPOXBQGLY-ZNLUXHQJSA-N 2 2 384.955 3.814 20 0 GHADLP CC1(C)CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000104651875 864528508 /nfs/dbraw/zinc/52/85/08/864528508.db2.gz LTCYLWFXPRXYTC-UHFFFAOYSA-N 2 2 388.515 3.668 20 0 GHADLP CC1(C)CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000104651875 864528518 /nfs/dbraw/zinc/52/85/18/864528518.db2.gz LTCYLWFXPRXYTC-UHFFFAOYSA-N 2 2 388.515 3.668 20 0 GHADLP Cc1csc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)n1 ZINC000608060663 864952452 /nfs/dbraw/zinc/95/24/52/864952452.db2.gz XYCUDWUXVOFVCY-UHFFFAOYSA-N 2 2 384.471 3.512 20 0 GHADLP COc1cccc(N2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001168064749 865019573 /nfs/dbraw/zinc/01/95/73/865019573.db2.gz RSCXWJWZIMYJJS-VTYHHJSWSA-N 2 2 394.563 3.654 20 0 GHADLP COc1cccc(N2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001168064749 865019593 /nfs/dbraw/zinc/01/95/93/865019593.db2.gz RSCXWJWZIMYJJS-VTYHHJSWSA-N 2 2 394.563 3.654 20 0 GHADLP COc1cc[nH+]c(N2CCN(c3cc[nH+]c4c(Br)cccc34)CC2)c1 ZINC000301198706 865219633 /nfs/dbraw/zinc/21/96/33/865219633.db2.gz OOVIHOYMAUFOHP-UHFFFAOYSA-N 2 2 399.292 3.728 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+]2CCSCC2)CCCC1 ZINC000480773374 865271877 /nfs/dbraw/zinc/27/18/77/865271877.db2.gz XAKZGUXPUUIPIX-RBBKRZOGSA-N 2 2 387.637 3.848 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+]2CCSCC2)CCCC1 ZINC000480773374 865271883 /nfs/dbraw/zinc/27/18/83/865271883.db2.gz XAKZGUXPUUIPIX-RBBKRZOGSA-N 2 2 387.637 3.848 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(N2CCOCC2)c1 ZINC000480785418 865296245 /nfs/dbraw/zinc/29/62/45/865296245.db2.gz HDAKRNLBSZGLPD-IBGZPJMESA-N 2 2 376.504 3.619 20 0 GHADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608428970 865326385 /nfs/dbraw/zinc/32/63/85/865326385.db2.gz GQRKYABLUBSKCJ-LEWJYISDSA-N 2 2 397.567 3.658 20 0 GHADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608428970 865326400 /nfs/dbraw/zinc/32/64/00/865326400.db2.gz GQRKYABLUBSKCJ-LEWJYISDSA-N 2 2 397.567 3.658 20 0 GHADLP Cn1cc[nH+]c1C[C@@H](NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC000608434489 865331957 /nfs/dbraw/zinc/33/19/57/865331957.db2.gz FATZZQXVXRZSCD-NHCUHLMSSA-N 2 2 397.567 3.514 20 0 GHADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608410685 865343479 /nfs/dbraw/zinc/34/34/79/865343479.db2.gz BZGOTIZFLAXXRL-AZUAARDMSA-N 2 2 397.567 3.514 20 0 GHADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608410685 865343495 /nfs/dbraw/zinc/34/34/95/865343495.db2.gz BZGOTIZFLAXXRL-AZUAARDMSA-N 2 2 397.567 3.514 20 0 GHADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)F)c2ccccc2)CC1 ZINC000667755990 865359934 /nfs/dbraw/zinc/35/99/34/865359934.db2.gz IXVWACALGMIFOJ-LJQANCHMSA-N 2 2 393.453 3.505 20 0 GHADLP CC[N@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@@H](C)c1cccc(O)c1 ZINC000494534698 881866148 /nfs/dbraw/zinc/86/61/48/881866148.db2.gz XZAOMEFNJQPZGH-UXHICEINSA-N 2 2 395.547 3.681 20 0 GHADLP CC[N@@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@@H](C)c1cccc(O)c1 ZINC000494534698 881866160 /nfs/dbraw/zinc/86/61/60/881866160.db2.gz XZAOMEFNJQPZGH-UXHICEINSA-N 2 2 395.547 3.681 20 0 GHADLP Brc1ccc2[nH+]ccc(N3CC[NH+](Cc4ccccn4)CC3)c2c1 ZINC000301526064 865402786 /nfs/dbraw/zinc/40/27/86/865402786.db2.gz NILGCHWCCQWMEE-UHFFFAOYSA-N 2 2 383.293 3.715 20 0 GHADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H](C(C)C)[NH+]3C[C@@H](C)O[C@@H](C)C3)c2C1 ZINC000494535955 881872809 /nfs/dbraw/zinc/87/28/09/881872809.db2.gz FCFLTCMYWMIXLP-SVMVAKDDSA-N 2 2 387.568 3.731 20 0 GHADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H](C(C)C)[NH+]3C[C@@H](C)O[C@@H](C)C3)c2C1 ZINC000494535955 881872826 /nfs/dbraw/zinc/87/28/26/881872826.db2.gz FCFLTCMYWMIXLP-SVMVAKDDSA-N 2 2 387.568 3.731 20 0 GHADLP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H](C(C)C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2C1 ZINC000494535955 881872843 /nfs/dbraw/zinc/87/28/43/881872843.db2.gz FCFLTCMYWMIXLP-SVMVAKDDSA-N 2 2 387.568 3.731 20 0 GHADLP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H](C(C)C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2C1 ZINC000494535955 881872860 /nfs/dbraw/zinc/87/28/60/881872860.db2.gz FCFLTCMYWMIXLP-SVMVAKDDSA-N 2 2 387.568 3.731 20 0 GHADLP CC[N@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174389713 865794929 /nfs/dbraw/zinc/79/49/29/865794929.db2.gz FVXRKLWASRLPQZ-OAQYLSRUSA-N 2 2 394.519 3.645 20 0 GHADLP CC[N@@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174389713 865794937 /nfs/dbraw/zinc/79/49/37/865794937.db2.gz FVXRKLWASRLPQZ-OAQYLSRUSA-N 2 2 394.519 3.645 20 0 GHADLP CCC[C@@H](C)[C@H]1CCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000494559682 881909599 /nfs/dbraw/zinc/90/95/99/881909599.db2.gz WKFTXSOWOXCRHN-WOJBJXKFSA-N 2 2 378.605 3.547 20 0 GHADLP COc1cccc2c(NCC3CC[NH+](CC(=O)NC(C)(C)C)CC3)c(C)c[nH+]c12 ZINC000302678346 865873949 /nfs/dbraw/zinc/87/39/49/865873949.db2.gz VMOPVOWILQMKAZ-UHFFFAOYSA-N 2 2 398.551 3.590 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+][C@@H]3CCC[C@@H](C)[C@H]3C)n2)CC1 ZINC000481167209 865908203 /nfs/dbraw/zinc/90/82/03/865908203.db2.gz APDRTWOQBAOCAC-JFIYKMOQSA-N 2 2 378.586 3.728 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)c1ccccc1Cl ZINC000448642103 865990616 /nfs/dbraw/zinc/99/06/16/865990616.db2.gz ZTYVKAQVVFJKTE-HXUWFJFHSA-N 2 2 397.910 3.734 20 0 GHADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000151898632 866008422 /nfs/dbraw/zinc/00/84/22/866008422.db2.gz UKVRARJAEUCKCK-MOPGFXCFSA-N 2 2 399.539 3.612 20 0 GHADLP CC[NH+]1CCC(CCNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000153209817 866261882 /nfs/dbraw/zinc/26/18/82/866261882.db2.gz YINLDSJIWBBFHT-FCHUYYIVSA-N 2 2 395.551 3.533 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1 ZINC000552870891 866361603 /nfs/dbraw/zinc/36/16/03/866361603.db2.gz UBUNTTFVDYYLCD-UNMCSNQZSA-N 2 2 377.488 3.530 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456342724 866455628 /nfs/dbraw/zinc/45/56/28/866455628.db2.gz ZEQTUWCOLHBMQO-LJQANCHMSA-N 2 2 384.430 3.811 20 0 GHADLP CSc1cc(Cl)ccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000667381449 866564976 /nfs/dbraw/zinc/56/49/76/866564976.db2.gz QVGOFRGIKSMCTL-UHFFFAOYSA-N 2 2 384.977 3.552 20 0 GHADLP CSc1cc(Cl)ccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000667381449 866564981 /nfs/dbraw/zinc/56/49/81/866564981.db2.gz QVGOFRGIKSMCTL-UHFFFAOYSA-N 2 2 384.977 3.552 20 0 GHADLP Cc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534361285 866645463 /nfs/dbraw/zinc/64/54/63/866645463.db2.gz XIUJCVJVJMOZGC-XZOQPEGZSA-N 2 2 385.596 3.723 20 0 GHADLP Cc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534361285 866645470 /nfs/dbraw/zinc/64/54/70/866645470.db2.gz XIUJCVJVJMOZGC-XZOQPEGZSA-N 2 2 385.596 3.723 20 0 GHADLP Cc1cccc(CCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534360653 866647449 /nfs/dbraw/zinc/64/74/49/866647449.db2.gz OSKHOKZVVBXEPD-XZOQPEGZSA-N 2 2 385.596 3.723 20 0 GHADLP Cc1cccc(CCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534360653 866647457 /nfs/dbraw/zinc/64/74/57/866647457.db2.gz OSKHOKZVVBXEPD-XZOQPEGZSA-N 2 2 385.596 3.723 20 0 GHADLP CC1CC[NH+](C[C@H]2CCCN(C(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)C2)CC1 ZINC000553072881 866746223 /nfs/dbraw/zinc/74/62/23/866746223.db2.gz VIFDJFJYJWLBDK-IRLDBZIGSA-N 2 2 394.563 3.902 20 0 GHADLP CCOCOc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000793231644 882025635 /nfs/dbraw/zinc/02/56/35/882025635.db2.gz GMIQZXAZEZGIIE-UHFFFAOYSA-N 2 2 386.458 3.954 20 0 GHADLP Cn1nc(C(F)(F)F)c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000793206886 882033122 /nfs/dbraw/zinc/03/31/22/882033122.db2.gz LRNWKGFKSCZHLE-AWEZNQCLSA-N 2 2 386.849 3.704 20 0 GHADLP Cn1nc(C(F)(F)F)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000793206886 882033143 /nfs/dbraw/zinc/03/31/43/882033143.db2.gz LRNWKGFKSCZHLE-AWEZNQCLSA-N 2 2 386.849 3.704 20 0 GHADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534599351 867109322 /nfs/dbraw/zinc/10/93/22/867109322.db2.gz ALNMDVXOZVKIJD-QZTJIDSGSA-N 2 2 393.535 3.844 20 0 GHADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534599351 867109329 /nfs/dbraw/zinc/10/93/29/867109329.db2.gz ALNMDVXOZVKIJD-QZTJIDSGSA-N 2 2 393.535 3.844 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2[nH+]c(C)cn2c1)Cc1ccccc1 ZINC000523421638 867291801 /nfs/dbraw/zinc/29/18/01/867291801.db2.gz KYPXDMMMZWLDEY-FQEVSTJZSA-N 2 2 379.508 3.717 20 0 GHADLP CCC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000154352861 867367184 /nfs/dbraw/zinc/36/71/84/867367184.db2.gz ZRYWUOCDHXEVLB-QHCPKHFHSA-N 2 2 398.595 3.858 20 0 GHADLP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465567991 867629414 /nfs/dbraw/zinc/62/94/14/867629414.db2.gz HLWQEBDTIQQNME-HKBOAZHASA-N 2 2 392.632 3.697 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857193171 882103638 /nfs/dbraw/zinc/10/36/38/882103638.db2.gz RTRAIXABWZPGHJ-OAQYLSRUSA-N 2 2 382.552 3.807 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857193171 882103653 /nfs/dbraw/zinc/10/36/53/882103653.db2.gz RTRAIXABWZPGHJ-OAQYLSRUSA-N 2 2 382.552 3.807 20 0 GHADLP CCOc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1OCC ZINC000154920214 867662203 /nfs/dbraw/zinc/66/22/03/867662203.db2.gz PFLCBEWPDBFMIC-SIKLNZKXSA-N 2 2 397.563 3.922 20 0 GHADLP CCOc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1OCC ZINC000154920214 867662212 /nfs/dbraw/zinc/66/22/12/867662212.db2.gz PFLCBEWPDBFMIC-SIKLNZKXSA-N 2 2 397.563 3.922 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155016102 867709370 /nfs/dbraw/zinc/70/93/70/867709370.db2.gz WRDKXTWVHUTXGX-JPYJTQIMSA-N 2 2 394.494 3.736 20 0 GHADLP CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000155185901 867794207 /nfs/dbraw/zinc/79/42/07/867794207.db2.gz HZHYSFNQLVUAGB-LJQANCHMSA-N 2 2 384.520 3.647 20 0 GHADLP O=C1CC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c2cc(F)ccc2N1 ZINC000479493825 867881425 /nfs/dbraw/zinc/88/14/25/867881425.db2.gz BZYUUTJZLFHFDH-DQPZFDDXSA-N 2 2 399.432 3.994 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnnn2Cc2ccccc2)CC1 ZINC000491234230 867884836 /nfs/dbraw/zinc/88/48/36/867884836.db2.gz FOTWGDRVRWKBDJ-LJQANCHMSA-N 2 2 375.520 3.642 20 0 GHADLP Cc1ncc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(C)n1 ZINC000155698892 868038084 /nfs/dbraw/zinc/03/80/84/868038084.db2.gz UZMNSLXJQNOEKW-MRXNPFEDSA-N 2 2 387.959 3.610 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000621000400 868487085 /nfs/dbraw/zinc/48/70/85/868487085.db2.gz JJCDBJCETCEQIL-UHFFFAOYSA-N 2 2 396.535 3.545 20 0 GHADLP [NH3+]CCC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1ccccc1 ZINC000479793064 868532666 /nfs/dbraw/zinc/53/26/66/868532666.db2.gz OZBQUKCYORLQGU-QHCPKHFHSA-N 2 2 393.556 3.805 20 0 GHADLP [NH3+]CCC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1ccccc1 ZINC000479793064 868532674 /nfs/dbraw/zinc/53/26/74/868532674.db2.gz OZBQUKCYORLQGU-QHCPKHFHSA-N 2 2 393.556 3.805 20 0 GHADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000157292398 868615742 /nfs/dbraw/zinc/61/57/42/868615742.db2.gz PKPDNMOHXRMKQH-COPCDDAFSA-N 2 2 386.584 3.726 20 0 GHADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000157292398 868615754 /nfs/dbraw/zinc/61/57/54/868615754.db2.gz PKPDNMOHXRMKQH-COPCDDAFSA-N 2 2 386.584 3.726 20 0 GHADLP CCc1ccc(Cl)c(CC)c1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000157731853 868746983 /nfs/dbraw/zinc/74/69/83/868746983.db2.gz LHNAUWHMXJPHLY-UHFFFAOYSA-N 2 2 394.991 3.955 20 0 GHADLP CCc1ccc(Cl)c(CC)c1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000157731853 868746991 /nfs/dbraw/zinc/74/69/91/868746991.db2.gz LHNAUWHMXJPHLY-UHFFFAOYSA-N 2 2 394.991 3.955 20 0 GHADLP CC(C)=CCSc1ccccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000133519279 882259966 /nfs/dbraw/zinc/25/99/66/882259966.db2.gz JHQQQLZOMSPJPY-UHFFFAOYSA-N 2 2 389.609 3.843 20 0 GHADLP CC(C)=CCSc1ccccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000133519279 882259978 /nfs/dbraw/zinc/25/99/78/882259978.db2.gz JHQQQLZOMSPJPY-UHFFFAOYSA-N 2 2 389.609 3.843 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(Br)cc3c1OCC3)CCC2 ZINC000462531599 869625049 /nfs/dbraw/zinc/62/50/49/869625049.db2.gz NJOMRXAZMXAGRA-CQSZACIVSA-N 2 2 376.298 3.556 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2OCc2ccccn2)C[C@@H]1C ZINC000539837009 869880167 /nfs/dbraw/zinc/88/01/67/869880167.db2.gz UDQJQVXAJDFKDH-GHTZIAJQSA-N 2 2 383.536 3.974 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2OCc2ccccn2)C[C@@H]1C ZINC000539837009 869880182 /nfs/dbraw/zinc/88/01/82/869880182.db2.gz UDQJQVXAJDFKDH-GHTZIAJQSA-N 2 2 383.536 3.974 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)ccc2OCc2ccccn2)C[C@@H]1C ZINC000539837009 869880198 /nfs/dbraw/zinc/88/01/98/869880198.db2.gz UDQJQVXAJDFKDH-GHTZIAJQSA-N 2 2 383.536 3.974 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)ccc2OCc2ccccn2)C[C@@H]1C ZINC000539837009 869880213 /nfs/dbraw/zinc/88/02/13/869880213.db2.gz UDQJQVXAJDFKDH-GHTZIAJQSA-N 2 2 383.536 3.974 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000745984480 869927157 /nfs/dbraw/zinc/92/71/57/869927157.db2.gz LTPZEEGOVRECKT-UHFFFAOYSA-N 2 2 381.524 3.608 20 0 GHADLP C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000539969392 870130216 /nfs/dbraw/zinc/13/02/16/870130216.db2.gz RTTMTGLZUWKPTB-AWEZNQCLSA-N 2 2 396.432 3.842 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc2c(c1)CCCC2 ZINC000525274744 870306624 /nfs/dbraw/zinc/30/66/24/870306624.db2.gz BUKZIFOCAWEMDT-UFYCRDLUSA-N 2 2 383.580 3.549 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc2c(c1)CCCC2 ZINC000525274744 870306638 /nfs/dbraw/zinc/30/66/38/870306638.db2.gz BUKZIFOCAWEMDT-UFYCRDLUSA-N 2 2 383.580 3.549 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(c3cccc(F)c3F)CCCC2)CC1 ZINC000462912361 870375989 /nfs/dbraw/zinc/37/59/89/870375989.db2.gz QSLKWGIEUGEABL-UHFFFAOYSA-N 2 2 394.506 3.784 20 0 GHADLP CC[N@H+](Cc1c(C)nn(C)c1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538729240 870450801 /nfs/dbraw/zinc/45/08/01/870450801.db2.gz AOIRSISDYIWQDZ-UHFFFAOYSA-N 2 2 384.572 3.750 20 0 GHADLP CC[N@@H+](Cc1c(C)nn(C)c1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538729240 870450809 /nfs/dbraw/zinc/45/08/09/870450809.db2.gz AOIRSISDYIWQDZ-UHFFFAOYSA-N 2 2 384.572 3.750 20 0 GHADLP COc1cc(Cl)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1Cl ZINC000538724004 870516667 /nfs/dbraw/zinc/51/66/67/870516667.db2.gz LETFOJJEPKSUDI-MRXNPFEDSA-N 2 2 386.367 3.602 20 0 GHADLP COc1cc(Cl)c(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1Cl ZINC000538724004 870516862 /nfs/dbraw/zinc/51/68/62/870516862.db2.gz LETFOJJEPKSUDI-MRXNPFEDSA-N 2 2 386.367 3.602 20 0 GHADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1Br ZINC000540160137 870624091 /nfs/dbraw/zinc/62/40/91/870624091.db2.gz JUVMFXUXOPMMDR-OTWHNJEPSA-N 2 2 381.358 3.868 20 0 GHADLP Cc1cn2cc(NC(=O)N3CCC[N@@H+](Cc4ccccc4)C[C@H]3C)ccc2[nH+]1 ZINC000525410543 870647910 /nfs/dbraw/zinc/64/79/10/870647910.db2.gz FXDWILIXDPVKEX-GOSISDBHSA-N 2 2 377.492 3.771 20 0 GHADLP Cc1cn2cc(NC(=O)N3CCC[N@H+](Cc4ccccc4)C[C@H]3C)ccc2[nH+]1 ZINC000525410543 870647920 /nfs/dbraw/zinc/64/79/20/870647920.db2.gz FXDWILIXDPVKEX-GOSISDBHSA-N 2 2 377.492 3.771 20 0 GHADLP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cn(C)c2c1 ZINC000249171712 870778998 /nfs/dbraw/zinc/77/89/98/870778998.db2.gz BTIWDDYGXMRMQX-AUSIDOKSSA-N 2 2 376.548 3.924 20 0 GHADLP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cn(C)c2c1 ZINC000249171712 870779012 /nfs/dbraw/zinc/77/90/12/870779012.db2.gz BTIWDDYGXMRMQX-AUSIDOKSSA-N 2 2 376.548 3.924 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000249470573 870840818 /nfs/dbraw/zinc/84/08/18/870840818.db2.gz UHTDVSGSWJCWKL-JQVVWYNYSA-N 2 2 397.563 3.893 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000249470573 870840833 /nfs/dbraw/zinc/84/08/33/870840833.db2.gz UHTDVSGSWJCWKL-JQVVWYNYSA-N 2 2 397.563 3.893 20 0 GHADLP COc1cccc2[nH]cc(CC[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)c21 ZINC000181335725 870873011 /nfs/dbraw/zinc/87/30/11/870873011.db2.gz RLLHGVKXZNTPCM-XLIONFOSSA-N 2 2 378.520 3.614 20 0 GHADLP COc1cccc2[nH]cc(CC[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)c21 ZINC000181335725 870873020 /nfs/dbraw/zinc/87/30/20/870873020.db2.gz RLLHGVKXZNTPCM-XLIONFOSSA-N 2 2 378.520 3.614 20 0 GHADLP Cc1nc(COc2ccc(C[NH+]3CCC(Oc4cc[nH+]cc4C)CC3)cc2)no1 ZINC000447075831 870993956 /nfs/dbraw/zinc/99/39/56/870993956.db2.gz LIYWKIHBJABIKG-UHFFFAOYSA-N 2 2 394.475 3.704 20 0 GHADLP CC(C)C[C@H](Cc1ccccc1)[NH2+]C1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001169062075 871148042 /nfs/dbraw/zinc/14/80/42/871148042.db2.gz QOPVSRPKMZUDIE-HSZRJFAPSA-N 2 2 393.575 3.754 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC1)C2 ZINC001169135054 871224967 /nfs/dbraw/zinc/22/49/67/871224967.db2.gz XSDXYOFPDHTPOH-ZBYYUNFXSA-N 2 2 385.596 3.673 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC1)C2 ZINC001169135054 871224978 /nfs/dbraw/zinc/22/49/78/871224978.db2.gz XSDXYOFPDHTPOH-ZBYYUNFXSA-N 2 2 385.596 3.673 20 0 GHADLP C[C@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)[N@H+](C)C1CC1 ZINC000191511019 882497636 /nfs/dbraw/zinc/49/76/36/882497636.db2.gz QUPMNRRANRPJBQ-AUUYWEPGSA-N 2 2 381.358 3.989 20 0 GHADLP C[C@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)[N@@H+](C)C1CC1 ZINC000191511019 882497639 /nfs/dbraw/zinc/49/76/39/882497639.db2.gz QUPMNRRANRPJBQ-AUUYWEPGSA-N 2 2 381.358 3.989 20 0 GHADLP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463272945 871343603 /nfs/dbraw/zinc/34/36/03/871343603.db2.gz WBLMSWBKLHNJRN-CJFMBICVSA-N 2 2 395.566 3.943 20 0 GHADLP CC[NH+]1CCC([NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)CC1 ZINC001169249648 871348521 /nfs/dbraw/zinc/34/85/21/871348521.db2.gz IIGMKPONBUTTKQ-UHFFFAOYSA-N 2 2 375.582 3.551 20 0 GHADLP CCc1ccc(-c2ccc(C[NH2+]C3CC[NH+](CCC(=O)N(C)C)CC3)o2)cc1 ZINC000525802730 871460802 /nfs/dbraw/zinc/46/08/02/871460802.db2.gz APQHRRAEUVFPPT-UHFFFAOYSA-N 2 2 383.536 3.541 20 0 GHADLP CC[C@@H](C[N@@H+](CC)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC001169483881 871534651 /nfs/dbraw/zinc/53/46/51/871534651.db2.gz YEBUMWQRHMULHY-RTWAWAEBSA-N 2 2 394.563 3.634 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000447433054 871640482 /nfs/dbraw/zinc/64/04/82/871640482.db2.gz YOHCCXFTWUENCE-UHFFFAOYSA-N 2 2 393.556 3.921 20 0 GHADLP C[C@@H]1C[N@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C[C@]2(CCOC2)O1 ZINC001169687151 871757178 /nfs/dbraw/zinc/75/71/78/871757178.db2.gz PTDSPGWWTNUDFH-ZODMCCGTSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1C[N@@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C[C@]2(CCOC2)O1 ZINC001169687151 871757190 /nfs/dbraw/zinc/75/71/90/871757190.db2.gz PTDSPGWWTNUDFH-ZODMCCGTSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1C[NH+](C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)C[C@]2(CCOC2)O1 ZINC001169687151 871757196 /nfs/dbraw/zinc/75/71/96/871757196.db2.gz PTDSPGWWTNUDFH-ZODMCCGTSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1C[NH+](C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)C[C@]2(CCOC2)O1 ZINC001169687151 871757207 /nfs/dbraw/zinc/75/72/07/871757207.db2.gz PTDSPGWWTNUDFH-ZODMCCGTSA-N 2 2 394.559 3.782 20 0 GHADLP Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC001169831328 871899359 /nfs/dbraw/zinc/89/93/59/871899359.db2.gz QDVXLXKQIQAUAV-FCHUYYIVSA-N 2 2 397.950 3.786 20 0 GHADLP Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC001169831328 871899380 /nfs/dbraw/zinc/89/93/80/871899380.db2.gz QDVXLXKQIQAUAV-FCHUYYIVSA-N 2 2 397.950 3.786 20 0 GHADLP CC1(C)C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)Cc2ccccc2O1 ZINC001194817380 871969987 /nfs/dbraw/zinc/96/99/87/871969987.db2.gz PVTXRETVCIGNII-UHFFFAOYSA-N 2 2 379.548 3.872 20 0 GHADLP CC1(C)C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)Cc2ccccc2O1 ZINC001194817380 871969997 /nfs/dbraw/zinc/96/99/97/871969997.db2.gz PVTXRETVCIGNII-UHFFFAOYSA-N 2 2 379.548 3.872 20 0 GHADLP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3)C2)[C@H]2CCC[C@@H]21 ZINC000552248339 872266043 /nfs/dbraw/zinc/26/60/43/872266043.db2.gz DBCZTOIWWDMORG-ZRNYENFQSA-N 2 2 381.486 3.742 20 0 GHADLP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3)C2)[C@H]2CCC[C@@H]21 ZINC000552248339 872266059 /nfs/dbraw/zinc/26/60/59/872266059.db2.gz DBCZTOIWWDMORG-ZRNYENFQSA-N 2 2 381.486 3.742 20 0 GHADLP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)[C@H]2CCC[C@@H]21 ZINC000552248339 872266075 /nfs/dbraw/zinc/26/60/75/872266075.db2.gz DBCZTOIWWDMORG-ZRNYENFQSA-N 2 2 381.486 3.742 20 0 GHADLP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)[C@H]2CCC[C@@H]21 ZINC000552248339 872266092 /nfs/dbraw/zinc/26/60/92/872266092.db2.gz DBCZTOIWWDMORG-ZRNYENFQSA-N 2 2 381.486 3.742 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683454 872339542 /nfs/dbraw/zinc/33/95/42/872339542.db2.gz DYSTYLYJPDAUJU-FQEVSTJZSA-N 2 2 395.547 3.977 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683454 872339563 /nfs/dbraw/zinc/33/95/63/872339563.db2.gz DYSTYLYJPDAUJU-FQEVSTJZSA-N 2 2 395.547 3.977 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000767433508 872517444 /nfs/dbraw/zinc/51/74/44/872517444.db2.gz JGGRDVWWUIIRHE-KNKQGSTJSA-N 2 2 395.551 3.784 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000767433508 872517451 /nfs/dbraw/zinc/51/74/51/872517451.db2.gz JGGRDVWWUIIRHE-KNKQGSTJSA-N 2 2 395.551 3.784 20 0 GHADLP Cc1nn(C)c(Cl)c1C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001195650968 872557911 /nfs/dbraw/zinc/55/79/11/872557911.db2.gz TYBMFGWGQNUXJJ-IYBDPMFKSA-N 2 2 390.959 3.623 20 0 GHADLP Cc1nn(C)c(Cl)c1C[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001195650968 872557921 /nfs/dbraw/zinc/55/79/21/872557921.db2.gz TYBMFGWGQNUXJJ-IYBDPMFKSA-N 2 2 390.959 3.623 20 0 GHADLP Cc1nn(C)c(Cl)c1C[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001195650968 872557933 /nfs/dbraw/zinc/55/79/33/872557933.db2.gz TYBMFGWGQNUXJJ-IYBDPMFKSA-N 2 2 390.959 3.623 20 0 GHADLP Cc1nn(C)c(Cl)c1C[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001195650968 872557945 /nfs/dbraw/zinc/55/79/45/872557945.db2.gz TYBMFGWGQNUXJJ-IYBDPMFKSA-N 2 2 390.959 3.623 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nc3ccccc3[nH]2)CC1 ZINC000552423557 872658915 /nfs/dbraw/zinc/65/89/15/872658915.db2.gz KZFDTDKIUJDPDX-MRXNPFEDSA-N 2 2 381.499 3.695 20 0 GHADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000478204606 872686250 /nfs/dbraw/zinc/68/62/50/872686250.db2.gz KQMLFQPQNOGTQC-PGRDOPGGSA-N 2 2 395.551 3.563 20 0 GHADLP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)Nc2cccnc2Cl)CC1 ZINC000182741755 872739345 /nfs/dbraw/zinc/73/93/45/872739345.db2.gz NSTHSKLHNPCVQM-MRXNPFEDSA-N 2 2 380.964 3.896 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1F ZINC000552577929 872845163 /nfs/dbraw/zinc/84/51/63/872845163.db2.gz KYXIWNKIKKVUDJ-UHFFFAOYSA-N 3 2 387.518 3.823 20 0 GHADLP Cc1c(O)ccc2c(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)cc(=O)oc12 ZINC000775687517 872902021 /nfs/dbraw/zinc/90/20/21/872902021.db2.gz BJRPRSBGLVJLEO-KKSFZXQISA-N 2 2 392.499 3.807 20 0 GHADLP Cc1c(O)ccc2c(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cc(=O)oc12 ZINC000775687517 872902036 /nfs/dbraw/zinc/90/20/36/872902036.db2.gz BJRPRSBGLVJLEO-KKSFZXQISA-N 2 2 392.499 3.807 20 0 GHADLP CCC1([NH+](C)C)CC[NH+](CCOc2ccccc2C(=O)OC(C)(C)C)CC1 ZINC001196683826 873284384 /nfs/dbraw/zinc/28/43/84/873284384.db2.gz IJYQRIJMDRIPNB-UHFFFAOYSA-N 2 2 376.541 3.827 20 0 GHADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C1 ZINC000768498184 873338530 /nfs/dbraw/zinc/33/85/30/873338530.db2.gz FVMKWHZYULKTJC-OXQOHEQNSA-N 2 2 386.499 3.621 20 0 GHADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C1 ZINC000768498184 873338546 /nfs/dbraw/zinc/33/85/46/873338546.db2.gz FVMKWHZYULKTJC-OXQOHEQNSA-N 2 2 386.499 3.621 20 0 GHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C1 ZINC000768498184 873338561 /nfs/dbraw/zinc/33/85/61/873338561.db2.gz FVMKWHZYULKTJC-OXQOHEQNSA-N 2 2 386.499 3.621 20 0 GHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C1 ZINC000768498184 873338577 /nfs/dbraw/zinc/33/85/77/873338577.db2.gz FVMKWHZYULKTJC-OXQOHEQNSA-N 2 2 386.499 3.621 20 0 GHADLP c1cc(C[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)n(-c2cc[nH+]cc2)n1 ZINC000858011448 882715780 /nfs/dbraw/zinc/71/57/80/882715780.db2.gz OMUQRIUVHJBIIW-OAQYLSRUSA-N 2 2 375.476 3.583 20 0 GHADLP c1cc(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)n(-c2cc[nH+]cc2)n1 ZINC000858011448 882715795 /nfs/dbraw/zinc/71/57/95/882715795.db2.gz OMUQRIUVHJBIIW-OAQYLSRUSA-N 2 2 375.476 3.583 20 0 GHADLP CN1C(=O)C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1c1ccc(Cl)cc1 ZINC000541377971 873476860 /nfs/dbraw/zinc/47/68/60/873476860.db2.gz HWVKYOIVBZXCTC-IEBWSBKVSA-N 2 2 386.908 3.649 20 0 GHADLP C[N@H+](CCOc1ccc(Cl)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000192060310 882729833 /nfs/dbraw/zinc/72/98/33/882729833.db2.gz AYCYMUBNMKIHRT-UHFFFAOYSA-N 2 2 391.918 3.892 20 0 GHADLP C[N@@H+](CCOc1ccc(Cl)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000192060310 882729847 /nfs/dbraw/zinc/72/98/47/882729847.db2.gz AYCYMUBNMKIHRT-UHFFFAOYSA-N 2 2 391.918 3.892 20 0 GHADLP O=C(NC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1)OCc1ccccc1 ZINC001197060516 873569186 /nfs/dbraw/zinc/56/91/86/873569186.db2.gz UUXAFGLRDFWIKL-UHFFFAOYSA-N 2 2 390.487 3.763 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(-c3ccccc3)n(C)n2)[C@H](C)C1 ZINC000527861368 873686384 /nfs/dbraw/zinc/68/63/84/873686384.db2.gz CUICPWKDQBIWLV-DYXWJJEUSA-N 2 2 384.568 3.875 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(-c3ccccc3)n(C)n2)[C@H](C)C1 ZINC000527861368 873686396 /nfs/dbraw/zinc/68/63/96/873686396.db2.gz CUICPWKDQBIWLV-DYXWJJEUSA-N 2 2 384.568 3.875 20 0 GHADLP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000541537666 873790229 /nfs/dbraw/zinc/79/02/29/873790229.db2.gz ZPBDYJHVLPFINJ-QFIPXVFZSA-N 3 2 389.547 3.920 20 0 GHADLP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000541537666 873790239 /nfs/dbraw/zinc/79/02/39/873790239.db2.gz ZPBDYJHVLPFINJ-QFIPXVFZSA-N 3 2 389.547 3.920 20 0 GHADLP CC[NH+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541537666 873790252 /nfs/dbraw/zinc/79/02/52/873790252.db2.gz ZPBDYJHVLPFINJ-QFIPXVFZSA-N 3 2 389.547 3.920 20 0 GHADLP CC[NH+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541537666 873790261 /nfs/dbraw/zinc/79/02/61/873790261.db2.gz ZPBDYJHVLPFINJ-QFIPXVFZSA-N 3 2 389.547 3.920 20 0 GHADLP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528012187 873885515 /nfs/dbraw/zinc/88/55/15/873885515.db2.gz OMMFKKLEQJUVMP-SXLOBPIMSA-N 2 2 395.547 3.590 20 0 GHADLP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528012187 873885533 /nfs/dbraw/zinc/88/55/33/873885533.db2.gz OMMFKKLEQJUVMP-SXLOBPIMSA-N 2 2 395.547 3.590 20 0 GHADLP CC(C)(C)OC(=O)c1ccccc1OCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000769216146 873897733 /nfs/dbraw/zinc/89/77/33/873897733.db2.gz HDPRBSWLGZFKAH-UHFFFAOYSA-N 2 2 397.519 3.992 20 0 GHADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OC(F)F)cc1 ZINC000550896213 882796876 /nfs/dbraw/zinc/79/68/76/882796876.db2.gz YDQNIUPTFKUCMI-TZIWHRDSSA-N 2 2 390.474 3.748 20 0 GHADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OC(F)F)cc1 ZINC000550896213 882796885 /nfs/dbraw/zinc/79/68/85/882796885.db2.gz YDQNIUPTFKUCMI-TZIWHRDSSA-N 2 2 390.474 3.748 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccccc2-c2ncc[nH]2)cc1 ZINC001198031006 874188411 /nfs/dbraw/zinc/18/84/11/874188411.db2.gz QQIARFULKQGMDI-UHFFFAOYSA-N 2 2 391.519 3.713 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccccc2-c2ncc[nH]2)cc1 ZINC001198031006 874188418 /nfs/dbraw/zinc/18/84/18/874188418.db2.gz QQIARFULKQGMDI-UHFFFAOYSA-N 2 2 391.519 3.713 20 0 GHADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000449061999 874399451 /nfs/dbraw/zinc/39/94/51/874399451.db2.gz KEDVAQQFCHUDIE-SFHVURJKSA-N 2 2 376.422 3.713 20 0 GHADLP COc1ccc(-n2cc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cn2)cc1 ZINC000449064356 874401484 /nfs/dbraw/zinc/40/14/84/874401484.db2.gz UBWMVTFNHFUIEF-UHFFFAOYSA-N 2 2 376.504 3.635 20 0 GHADLP COCCC[NH+]1CCC([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449112021 874522267 /nfs/dbraw/zinc/52/22/67/874522267.db2.gz OZPCMANQRYPIHT-UHFFFAOYSA-N 2 2 381.492 3.679 20 0 GHADLP C[C@H](C[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449142906 874531608 /nfs/dbraw/zinc/53/16/08/874531608.db2.gz VDJRRQQKIVQHEF-MSOLQXFVSA-N 2 2 388.577 3.913 20 0 GHADLP COc1nccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000449159056 874555461 /nfs/dbraw/zinc/55/54/61/874555461.db2.gz XDPLBPQXQFMJIW-YJBOKZPZSA-N 2 2 394.441 3.677 20 0 GHADLP COc1nccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000449159056 874555468 /nfs/dbraw/zinc/55/54/68/874555468.db2.gz XDPLBPQXQFMJIW-YJBOKZPZSA-N 2 2 394.441 3.677 20 0 GHADLP C[C@H](C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449205471 874582558 /nfs/dbraw/zinc/58/25/58/874582558.db2.gz LIRBHPJLZYZPES-GOSISDBHSA-N 2 2 388.577 3.694 20 0 GHADLP C[C@H](C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449205471 874582573 /nfs/dbraw/zinc/58/25/73/874582573.db2.gz LIRBHPJLZYZPES-GOSISDBHSA-N 2 2 388.577 3.694 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000464827771 874589571 /nfs/dbraw/zinc/58/95/71/874589571.db2.gz CZRJFBLUHMLDKK-IRFCIJBXSA-N 2 2 397.538 3.845 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000464827771 874589580 /nfs/dbraw/zinc/58/95/80/874589580.db2.gz CZRJFBLUHMLDKK-IRFCIJBXSA-N 2 2 397.538 3.845 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000464827771 874589581 /nfs/dbraw/zinc/58/95/81/874589581.db2.gz CZRJFBLUHMLDKK-IRFCIJBXSA-N 2 2 397.538 3.845 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000464827771 874589591 /nfs/dbraw/zinc/58/95/91/874589591.db2.gz CZRJFBLUHMLDKK-IRFCIJBXSA-N 2 2 397.538 3.845 20 0 GHADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cc(Cl)cc(Br)c2)C[C@H](C)O1 ZINC001199085755 874800522 /nfs/dbraw/zinc/80/05/22/874800522.db2.gz NXRYIZKUORWZSG-STQMWFEESA-N 2 2 375.738 3.691 20 0 GHADLP Cn1cc(C[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)c(-c2ccncc2)n1 ZINC000449478613 874911855 /nfs/dbraw/zinc/91/18/55/874911855.db2.gz RZEVFQQGKLMNFU-UHFFFAOYSA-N 2 2 375.520 3.626 20 0 GHADLP Cn1cc(C[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)c(-c2ccncc2)n1 ZINC000449478613 874911863 /nfs/dbraw/zinc/91/18/63/874911863.db2.gz RZEVFQQGKLMNFU-UHFFFAOYSA-N 2 2 375.520 3.626 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3cc4c(ccc(C)c4C)[nH]3)C2)CC1 ZINC000449497930 874953978 /nfs/dbraw/zinc/95/39/78/874953978.db2.gz KUOJLYWOTDHATA-NRFANRHFSA-N 2 2 396.579 3.551 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3cc4c(ccc(C)c4C)[nH]3)C2)CC1 ZINC000449497930 874953985 /nfs/dbraw/zinc/95/39/85/874953985.db2.gz KUOJLYWOTDHATA-NRFANRHFSA-N 2 2 396.579 3.551 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3cc4c(ccc(C)c4C)[nH]3)C2)CC1 ZINC000449497930 874953993 /nfs/dbraw/zinc/95/39/93/874953993.db2.gz KUOJLYWOTDHATA-NRFANRHFSA-N 2 2 396.579 3.551 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc4c(ccc(C)c4C)[nH]3)C2)CC1 ZINC000449497930 874953999 /nfs/dbraw/zinc/95/39/99/874953999.db2.gz KUOJLYWOTDHATA-NRFANRHFSA-N 2 2 396.579 3.551 20 0 GHADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542116052 874954831 /nfs/dbraw/zinc/95/48/31/874954831.db2.gz RGDOOSWZAVFCMO-OAQYLSRUSA-N 2 2 389.588 3.740 20 0 GHADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542116052 874954840 /nfs/dbraw/zinc/95/48/40/874954840.db2.gz RGDOOSWZAVFCMO-OAQYLSRUSA-N 2 2 389.588 3.740 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cc(C)c(O)c(C)c3)CC2)cc1 ZINC000449520917 874993982 /nfs/dbraw/zinc/99/39/82/874993982.db2.gz FVMVNPCSLUBXOA-UHFFFAOYSA-N 2 2 381.520 3.722 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000491363815 875642675 /nfs/dbraw/zinc/64/26/75/875642675.db2.gz YDWCMEJGEXRFNO-HSZRJFAPSA-N 2 2 389.547 3.717 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000491363815 875642678 /nfs/dbraw/zinc/64/26/78/875642678.db2.gz YDWCMEJGEXRFNO-HSZRJFAPSA-N 2 2 389.547 3.717 20 0 GHADLP CO[C@H](C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000669934478 875660630 /nfs/dbraw/zinc/66/06/30/875660630.db2.gz FVESQEFDMCMYEB-YADHBBJMSA-N 2 2 388.939 3.596 20 0 GHADLP CO[C@H](C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000669934478 875660634 /nfs/dbraw/zinc/66/06/34/875660634.db2.gz FVESQEFDMCMYEB-YADHBBJMSA-N 2 2 388.939 3.596 20 0 GHADLP CO[C@H](C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000669934478 875660639 /nfs/dbraw/zinc/66/06/39/875660639.db2.gz FVESQEFDMCMYEB-YADHBBJMSA-N 2 2 388.939 3.596 20 0 GHADLP CO[C@H](C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000669934478 875660645 /nfs/dbraw/zinc/66/06/45/875660645.db2.gz FVESQEFDMCMYEB-YADHBBJMSA-N 2 2 388.939 3.596 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(F)c(Br)c3)[nH+]c2)C1 ZINC001201536389 875734411 /nfs/dbraw/zinc/73/44/11/875734411.db2.gz QMOJBHMZQHGVIO-HNNXBMFYSA-N 2 2 393.304 3.736 20 0 GHADLP Clc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(Br)c1 ZINC000303560074 875798084 /nfs/dbraw/zinc/79/80/84/875798084.db2.gz IBJGZPZJRDKKIE-UHFFFAOYSA-N 2 2 387.749 3.647 20 0 GHADLP CC[C@@H](Sc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172754538 875901689 /nfs/dbraw/zinc/90/16/89/875901689.db2.gz QHVYSPQUVNYKRC-HXUWFJFHSA-N 2 2 389.609 3.624 20 0 GHADLP CC(C)[C@@H](Cc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172754460 875901870 /nfs/dbraw/zinc/90/18/70/875901870.db2.gz GPNDDOLWFOZPDM-JOCHJYFZSA-N 2 2 385.596 3.568 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CCCNC(=O)/C=C\c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001202118792 876008125 /nfs/dbraw/zinc/00/81/25/876008125.db2.gz JBZVNYUVIMUNEQ-HVMBHNBBSA-N 2 2 391.559 3.849 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CCCNC(=O)/C=C\c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001202118792 876008135 /nfs/dbraw/zinc/00/81/35/876008135.db2.gz JBZVNYUVIMUNEQ-HVMBHNBBSA-N 2 2 391.559 3.849 20 0 GHADLP Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001202334927 876149358 /nfs/dbraw/zinc/14/93/58/876149358.db2.gz GCJHNPKXRCPPDN-UHFFFAOYSA-N 2 2 381.423 3.699 20 0 GHADLP CC(C)(C)OC(=O)NC1CC[NH+](C2CC[NH+](CCCC(F)(F)F)CC2)CC1 ZINC001202445030 876209238 /nfs/dbraw/zinc/20/92/38/876209238.db2.gz TXTXKNHWNZZFQJ-UHFFFAOYSA-N 2 2 393.494 3.782 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001170050772 876260643 /nfs/dbraw/zinc/26/06/43/876260643.db2.gz DITATWTZCGLQHY-HLIPFELVSA-N 2 2 384.524 3.996 20 0 GHADLP C[NH+](C)CCOC1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450331534 876270224 /nfs/dbraw/zinc/27/02/24/876270224.db2.gz RNJMJODPXDFAQF-UHFFFAOYSA-N 2 2 396.304 3.683 20 0 GHADLP FC1(F)CCCC[C@H]1C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000450323474 876284559 /nfs/dbraw/zinc/28/45/59/876284559.db2.gz IFPKWLZRTMJNDK-PMACEKPBSA-N 2 2 392.538 3.741 20 0 GHADLP FC1(F)CCCC[C@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000450323474 876284572 /nfs/dbraw/zinc/28/45/72/876284572.db2.gz IFPKWLZRTMJNDK-PMACEKPBSA-N 2 2 392.538 3.741 20 0 GHADLP CCc1ccc(-c2ccc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)o2)cc1 ZINC000173402315 876364564 /nfs/dbraw/zinc/36/45/64/876364564.db2.gz CDEDIYKHIBRTBS-UHFFFAOYSA-N 2 2 383.536 3.607 20 0 GHADLP CCc1ccc(-c2ccc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)o2)cc1 ZINC000173402315 876364579 /nfs/dbraw/zinc/36/45/79/876364579.db2.gz CDEDIYKHIBRTBS-UHFFFAOYSA-N 2 2 383.536 3.607 20 0 GHADLP CCCCOc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460494055 883024040 /nfs/dbraw/zinc/02/40/40/883024040.db2.gz SSPZCFFERKCZNF-UHFFFAOYSA-N 2 2 387.568 3.546 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(Cl)c(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000450796666 876902812 /nfs/dbraw/zinc/90/28/12/876902812.db2.gz VUKNQCXJIABVDQ-LAUBAEHRSA-N 2 2 390.959 3.987 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(Cl)c(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000450796666 876902824 /nfs/dbraw/zinc/90/28/24/876902824.db2.gz VUKNQCXJIABVDQ-LAUBAEHRSA-N 2 2 390.959 3.987 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(Cl)c(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000450796666 876902830 /nfs/dbraw/zinc/90/28/30/876902830.db2.gz VUKNQCXJIABVDQ-LAUBAEHRSA-N 2 2 390.959 3.987 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000450796666 876902839 /nfs/dbraw/zinc/90/28/39/876902839.db2.gz VUKNQCXJIABVDQ-LAUBAEHRSA-N 2 2 390.959 3.987 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000850512546 876982969 /nfs/dbraw/zinc/98/29/69/876982969.db2.gz GZSVEZBKONAVGI-NVXWUHKLSA-N 2 2 387.911 3.522 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000850512546 876982975 /nfs/dbraw/zinc/98/29/75/876982975.db2.gz GZSVEZBKONAVGI-NVXWUHKLSA-N 2 2 387.911 3.522 20 0 GHADLP COC(=O)c1nc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)ccc1Cl ZINC000850514600 876985101 /nfs/dbraw/zinc/98/51/01/876985101.db2.gz VCEHASPUMWQORB-WMLDXEAASA-N 2 2 379.932 3.654 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2ccc(Cl)cc2F)([NH+]2CCCCC2)CC1 ZINC000174393417 877003510 /nfs/dbraw/zinc/00/35/10/877003510.db2.gz HPFGKMNJBKASAX-UHFFFAOYSA-N 2 2 382.911 3.551 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000787311382 877337306 /nfs/dbraw/zinc/33/73/06/877337306.db2.gz WDNLROLVKKEYDW-CDHQVMDDSA-N 2 2 393.453 3.634 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000787311382 877337318 /nfs/dbraw/zinc/33/73/18/877337318.db2.gz WDNLROLVKKEYDW-CDHQVMDDSA-N 2 2 393.453 3.634 20 0 GHADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000477340944 877463723 /nfs/dbraw/zinc/46/37/23/877463723.db2.gz VTCRPVRTHMYLKP-SFHVURJKSA-N 2 2 390.572 3.749 20 0 GHADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000477340944 877463732 /nfs/dbraw/zinc/46/37/32/877463732.db2.gz VTCRPVRTHMYLKP-SFHVURJKSA-N 2 2 390.572 3.749 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000137128896 877512856 /nfs/dbraw/zinc/51/28/56/877512856.db2.gz FPFDVNKLCLYTGO-BGYRXZFFSA-N 2 2 397.567 3.593 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000137128896 877512871 /nfs/dbraw/zinc/51/28/71/877512871.db2.gz FPFDVNKLCLYTGO-BGYRXZFFSA-N 2 2 397.567 3.593 20 0 GHADLP Fc1ccc(C2([NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CCOCC2)cc1 ZINC000551699300 877663883 /nfs/dbraw/zinc/66/38/83/877663883.db2.gz XBPFHYUOMWBLSA-QHCPKHFHSA-N 2 2 398.522 3.712 20 0 GHADLP Fc1ccc(C2([NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CCOCC2)cc1 ZINC000551699300 877663907 /nfs/dbraw/zinc/66/39/07/877663907.db2.gz XBPFHYUOMWBLSA-QHCPKHFHSA-N 2 2 398.522 3.712 20 0 GHADLP C[N@H+](Cc1cccc(Br)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175784443 877899103 /nfs/dbraw/zinc/89/91/03/877899103.db2.gz ULXBIHFHWOYANM-UHFFFAOYSA-N 2 2 388.353 3.983 20 0 GHADLP C[N@@H+](Cc1cccc(Br)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175784443 877899121 /nfs/dbraw/zinc/89/91/21/877899121.db2.gz ULXBIHFHWOYANM-UHFFFAOYSA-N 2 2 388.353 3.983 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527528 878093074 /nfs/dbraw/zinc/09/30/74/878093074.db2.gz JQCGPZCYCJWGLK-XMSQKQJNSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527528 878093093 /nfs/dbraw/zinc/09/30/93/878093093.db2.gz JQCGPZCYCJWGLK-XMSQKQJNSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527528 878093112 /nfs/dbraw/zinc/09/31/12/878093112.db2.gz JQCGPZCYCJWGLK-XMSQKQJNSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527528 878093130 /nfs/dbraw/zinc/09/31/30/878093130.db2.gz JQCGPZCYCJWGLK-XMSQKQJNSA-N 2 2 389.971 3.594 20 0 GHADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000788608306 878203037 /nfs/dbraw/zinc/20/30/37/878203037.db2.gz MWAVYXMXPHVTPP-IRXDYDNUSA-N 2 2 375.557 3.961 20 0 GHADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H](NCC[N@@H+]2CCc4ccccc4C2)C3)cc1 ZINC000245657347 878299935 /nfs/dbraw/zinc/29/99/35/878299935.db2.gz DWRJBKJTQNKBNR-QEIWAGNOSA-N 2 2 375.560 3.830 20 0 GHADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H](NCC[N@H+]2CCc4ccccc4C2)C3)cc1 ZINC000245657347 878299955 /nfs/dbraw/zinc/29/99/55/878299955.db2.gz DWRJBKJTQNKBNR-QEIWAGNOSA-N 2 2 375.560 3.830 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCC[NH+]2CCc4ccccc4C2)C3)cc1 ZINC000245657347 878299967 /nfs/dbraw/zinc/29/99/67/878299967.db2.gz DWRJBKJTQNKBNR-QEIWAGNOSA-N 2 2 375.560 3.830 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCC[NH+]2CCc4ccccc4C2)C3)cc1 ZINC000245657347 878299981 /nfs/dbraw/zinc/29/99/81/878299981.db2.gz DWRJBKJTQNKBNR-QEIWAGNOSA-N 2 2 375.560 3.830 20 0 GHADLP CCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000542465100 878343544 /nfs/dbraw/zinc/34/35/44/878343544.db2.gz TVGBNTXJCIFHGW-SFHVURJKSA-N 2 2 377.492 3.815 20 0 GHADLP CCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000542465100 878343557 /nfs/dbraw/zinc/34/35/57/878343557.db2.gz TVGBNTXJCIFHGW-SFHVURJKSA-N 2 2 377.492 3.815 20 0 GHADLP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1nc2c(s1)CCCC2 ZINC000537882496 878452474 /nfs/dbraw/zinc/45/24/74/878452474.db2.gz HVEUNCKIUOCEAJ-NVXWUHKLSA-N 2 2 390.622 3.723 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC000176891900 878467370 /nfs/dbraw/zinc/46/73/70/878467370.db2.gz UHTGIMSKWPOEGE-YLJYHZDGSA-N 2 2 396.535 3.511 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000176891900 878467377 /nfs/dbraw/zinc/46/73/77/878467377.db2.gz UHTGIMSKWPOEGE-YLJYHZDGSA-N 2 2 396.535 3.511 20 0 GHADLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2c(-c3ccccc3)nc3sccn23)CCO1 ZINC000852760598 878584645 /nfs/dbraw/zinc/58/46/45/878584645.db2.gz JFSFOEABZGILKH-GOSISDBHSA-N 2 2 384.549 3.605 20 0 GHADLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2c(-c3ccccc3)nc3sccn23)CCO1 ZINC000852760598 878584653 /nfs/dbraw/zinc/58/46/53/878584653.db2.gz JFSFOEABZGILKH-GOSISDBHSA-N 2 2 384.549 3.605 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1sccc1Br ZINC000537962268 878596147 /nfs/dbraw/zinc/59/61/47/878596147.db2.gz RWBAQHXMQCQMSN-APHBMKBZSA-N 2 2 387.387 3.929 20 0 GHADLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccccc3)c3ccc(F)cc3)cn2)CC1 ZINC000177204607 878598810 /nfs/dbraw/zinc/59/88/10/878598810.db2.gz MGAIXWUAYZKEDW-DEOSSOPVSA-N 2 2 390.506 3.852 20 0 GHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000177486914 878727927 /nfs/dbraw/zinc/72/79/27/878727927.db2.gz VSNNKVMEIIPTEL-GOSISDBHSA-N 2 2 389.584 3.790 20 0 GHADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1c(-c2ccccn2)csc1=O ZINC000068618634 878804316 /nfs/dbraw/zinc/80/43/16/878804316.db2.gz MWUVAPSDOJKPKK-UHFFFAOYSA-N 2 2 382.533 3.513 20 0 GHADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1c(-c2ccccn2)csc1=O ZINC000068618634 878804323 /nfs/dbraw/zinc/80/43/23/878804323.db2.gz MWUVAPSDOJKPKK-UHFFFAOYSA-N 2 2 382.533 3.513 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000538307386 879182650 /nfs/dbraw/zinc/18/26/50/879182650.db2.gz RHFRYHKVIWITKS-UHFFFAOYSA-N 2 2 377.273 3.967 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000538307386 879182664 /nfs/dbraw/zinc/18/26/64/879182664.db2.gz RHFRYHKVIWITKS-UHFFFAOYSA-N 2 2 377.273 3.967 20 0 GHADLP CC[NH+](Cc1cncc(C[N@@H+](CC)Cc2ccccn2)c1)Cc1ccccn1 ZINC000649349158 879547998 /nfs/dbraw/zinc/54/79/98/879547998.db2.gz LIFCPZJOIIECHM-UHFFFAOYSA-N 2 2 375.520 3.916 20 0 GHADLP CC[NH+](Cc1cncc(C[N@H+](CC)Cc2ccccn2)c1)Cc1ccccn1 ZINC000649349158 879548008 /nfs/dbraw/zinc/54/80/08/879548008.db2.gz LIFCPZJOIIECHM-UHFFFAOYSA-N 2 2 375.520 3.916 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(N2CCCOC2=O)cc1 ZINC000854224161 879641707 /nfs/dbraw/zinc/64/17/07/879641707.db2.gz XWCZECYKFIGASV-MTNREXPMSA-N 2 2 379.504 3.830 20 0 GHADLP C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000531416556 879835399 /nfs/dbraw/zinc/83/53/99/879835399.db2.gz PZQSGDHOQAKTCZ-UHFFFAOYSA-N 2 2 387.911 3.603 20 0 GHADLP C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000531416556 879835409 /nfs/dbraw/zinc/83/54/09/879835409.db2.gz PZQSGDHOQAKTCZ-UHFFFAOYSA-N 2 2 387.911 3.603 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1cccc2ccccc21 ZINC000246964791 879865370 /nfs/dbraw/zinc/86/53/70/879865370.db2.gz VDGXHTRLDPEBPL-WXVUKLJWSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1cccc2ccccc21 ZINC000246964791 879865388 /nfs/dbraw/zinc/86/53/88/879865388.db2.gz VDGXHTRLDPEBPL-WXVUKLJWSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc2ccccc21 ZINC000246964791 879865398 /nfs/dbraw/zinc/86/53/98/879865398.db2.gz VDGXHTRLDPEBPL-WXVUKLJWSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc2ccccc21 ZINC000246964791 879865408 /nfs/dbraw/zinc/86/54/08/879865408.db2.gz VDGXHTRLDPEBPL-WXVUKLJWSA-N 2 2 391.559 3.966 20 0 GHADLP Cc1nc2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)cc2s1 ZINC000494135039 879940118 /nfs/dbraw/zinc/94/01/18/879940118.db2.gz GRMHJBXVFMKBPH-PMACEKPBSA-N 2 2 381.545 3.577 20 0 GHADLP Cc1nc2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)cc2s1 ZINC000494135039 879940127 /nfs/dbraw/zinc/94/01/27/879940127.db2.gz GRMHJBXVFMKBPH-PMACEKPBSA-N 2 2 381.545 3.577 20 0 GHADLP FC(F)n1c2ccccc2nc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182951785 880043467 /nfs/dbraw/zinc/04/34/67/880043467.db2.gz SKLNTZHAESZPDE-UHFFFAOYSA-N 2 2 392.494 3.756 20 0 GHADLP COCCC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453084294 880441503 /nfs/dbraw/zinc/44/15/03/880441503.db2.gz DJHQSDMMSAKAPG-WXFUMESZSA-N 3 2 385.596 3.520 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)c1ccc(=O)[nH]n1 ZINC000286107755 912572327 /nfs/dbraw/zinc/57/23/27/912572327.db2.gz NLZIRASNFKVSCK-LJQANCHMSA-N 2 2 376.504 3.513 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000531939892 880795459 /nfs/dbraw/zinc/79/54/59/880795459.db2.gz PBIBQWZMKBRWCG-GJZGRUSLSA-N 2 2 387.446 3.766 20 0 GHADLP COc1c(Br)cccc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000186946020 881031143 /nfs/dbraw/zinc/03/11/43/881031143.db2.gz GVXJKGKVLLRGRU-UHFFFAOYSA-N 2 2 378.314 3.646 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc(-c2ccccc2Cl)cs1 ZINC000187363824 881164312 /nfs/dbraw/zinc/16/43/12/881164312.db2.gz CNCXOVWYKJQLCP-UHFFFAOYSA-N 2 2 393.000 3.921 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc(-c2ccccc2Cl)cs1 ZINC000187363824 881164334 /nfs/dbraw/zinc/16/43/34/881164334.db2.gz CNCXOVWYKJQLCP-UHFFFAOYSA-N 2 2 393.000 3.921 20 0 GHADLP CC[C@@H]1C[C@H]([N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001170224321 881263502 /nfs/dbraw/zinc/26/35/02/881263502.db2.gz VELQWHXGDBWUHQ-AQNXPRMDSA-N 2 2 379.495 3.572 20 0 GHADLP CC[C@@H]1C[C@H]([N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001170224321 881263517 /nfs/dbraw/zinc/26/35/17/881263517.db2.gz VELQWHXGDBWUHQ-AQNXPRMDSA-N 2 2 379.495 3.572 20 0 GHADLP CC[C@@H]1C[C@H]([NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001170224321 881263535 /nfs/dbraw/zinc/26/35/35/881263535.db2.gz VELQWHXGDBWUHQ-AQNXPRMDSA-N 2 2 379.495 3.572 20 0 GHADLP CC[C@@H]1C[C@H]([NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001170224321 881263553 /nfs/dbraw/zinc/26/35/53/881263553.db2.gz VELQWHXGDBWUHQ-AQNXPRMDSA-N 2 2 379.495 3.572 20 0 GHADLP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccncc1F ZINC000551049802 883169957 /nfs/dbraw/zinc/16/99/57/883169957.db2.gz AZLJXODLJRHLCJ-CQSZACIVSA-N 2 2 396.432 3.842 20 0 GHADLP O=[S@@](CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccccc1 ZINC000475752777 883202530 /nfs/dbraw/zinc/20/25/30/883202530.db2.gz WEYZSPVQPYKTGS-HOFKKMOUSA-N 2 2 382.573 3.782 20 0 GHADLP O=[S@@](CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccccc1 ZINC000475752777 883202547 /nfs/dbraw/zinc/20/25/47/883202547.db2.gz WEYZSPVQPYKTGS-HOFKKMOUSA-N 2 2 382.573 3.782 20 0 GHADLP O=[S@@](CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000475752777 883202566 /nfs/dbraw/zinc/20/25/66/883202566.db2.gz WEYZSPVQPYKTGS-HOFKKMOUSA-N 2 2 382.573 3.782 20 0 GHADLP O=[S@@](CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000475752777 883202584 /nfs/dbraw/zinc/20/25/84/883202584.db2.gz WEYZSPVQPYKTGS-HOFKKMOUSA-N 2 2 382.573 3.782 20 0 GHADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2nnc3n2CCCCC3)ccc1OC ZINC000182224379 883212785 /nfs/dbraw/zinc/21/27/85/883212785.db2.gz PPHCSVRRTNCVCB-KRWDZBQOSA-N 2 2 385.556 3.706 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)c2cccc(Br)c2)C[C@@H]1c1ccccc1 ZINC000551085774 883260244 /nfs/dbraw/zinc/26/02/44/883260244.db2.gz HNPQVXAYHKPSCP-XUVXKRRUSA-N 2 2 389.337 3.908 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@H](CO)c2cccc(Br)c2)C[C@@H]1c1ccccc1 ZINC000551085774 883260260 /nfs/dbraw/zinc/26/02/60/883260260.db2.gz HNPQVXAYHKPSCP-XUVXKRRUSA-N 2 2 389.337 3.908 20 0 GHADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)Nc1ccc2[nH+]ccn2c1 ZINC000666131494 883448738 /nfs/dbraw/zinc/44/87/38/883448738.db2.gz DTIXDIXSKLWWOY-LJQANCHMSA-N 2 2 389.503 3.758 20 0 GHADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)Nc1ccc2[nH+]ccn2c1 ZINC000666131494 883448743 /nfs/dbraw/zinc/44/87/43/883448743.db2.gz DTIXDIXSKLWWOY-LJQANCHMSA-N 2 2 389.503 3.758 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(C(F)(F)F)c1 ZINC000195652270 883541513 /nfs/dbraw/zinc/54/15/13/883541513.db2.gz VASMMMIRMXOOJR-MGPUTAFESA-N 2 2 378.438 3.775 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(C(F)(F)F)c1 ZINC000195652270 883541521 /nfs/dbraw/zinc/54/15/21/883541521.db2.gz VASMMMIRMXOOJR-MGPUTAFESA-N 2 2 378.438 3.775 20 0 GHADLP COC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(Cl)cc1 ZINC000193984514 883614234 /nfs/dbraw/zinc/61/42/34/883614234.db2.gz KOQNESJRQVNEPO-QFIPXVFZSA-N 2 2 387.955 3.565 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCC(=O)N2 ZINC000551394650 883803739 /nfs/dbraw/zinc/80/37/39/883803739.db2.gz KWOUMZJDNHDKMT-AVRDEDQJSA-N 2 2 393.531 3.513 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCC(=O)N2 ZINC000551394650 883803755 /nfs/dbraw/zinc/80/37/55/883803755.db2.gz KWOUMZJDNHDKMT-AVRDEDQJSA-N 2 2 393.531 3.513 20 0 GHADLP Cc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc2cccnc12 ZINC000428542092 883958567 /nfs/dbraw/zinc/95/85/67/883958567.db2.gz CZCFEGHSYLRCPX-QHCPKHFHSA-N 2 2 375.516 3.924 20 0 GHADLP Cc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc2cccnc12 ZINC000428542092 883958579 /nfs/dbraw/zinc/95/85/79/883958579.db2.gz CZCFEGHSYLRCPX-QHCPKHFHSA-N 2 2 375.516 3.924 20 0 GHADLP CCc1ccc([C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000105089428 884109006 /nfs/dbraw/zinc/10/90/06/884109006.db2.gz CJOCMJSQKLIUED-QFIPXVFZSA-N 2 2 388.600 3.614 20 0 GHADLP CCc1ccc([C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000105089428 884109013 /nfs/dbraw/zinc/10/90/13/884109013.db2.gz CJOCMJSQKLIUED-QFIPXVFZSA-N 2 2 388.600 3.614 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)C1CCCCC1 ZINC000542530178 884311155 /nfs/dbraw/zinc/31/11/55/884311155.db2.gz CVSUGRJCHIWXMV-MOPGFXCFSA-N 2 2 387.568 3.652 20 0 GHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000495079808 884504720 /nfs/dbraw/zinc/50/47/20/884504720.db2.gz BDXHMWKCOGAMBE-ZWKOTPCHSA-N 2 2 391.968 3.615 20 0 GHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000495079808 884504731 /nfs/dbraw/zinc/50/47/31/884504731.db2.gz BDXHMWKCOGAMBE-ZWKOTPCHSA-N 2 2 391.968 3.615 20 0 GHADLP CC[N@H+](CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)Cc1ccccc1Cl ZINC000498554049 884821606 /nfs/dbraw/zinc/82/16/06/884821606.db2.gz CVIYPWJMUOWBCT-LJQANCHMSA-N 2 2 377.960 3.639 20 0 GHADLP CC[N@@H+](CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)Cc1ccccc1Cl ZINC000498554049 884821628 /nfs/dbraw/zinc/82/16/28/884821628.db2.gz CVIYPWJMUOWBCT-LJQANCHMSA-N 2 2 377.960 3.639 20 0 GHADLP CCN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CC[N@H+](CC)C1 ZINC000666452043 885100508 /nfs/dbraw/zinc/10/05/08/885100508.db2.gz UYERITZVBCGCKM-GOSISDBHSA-N 2 2 379.508 3.550 20 0 GHADLP CCN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CC[N@@H+](CC)C1 ZINC000666452043 885100520 /nfs/dbraw/zinc/10/05/20/885100520.db2.gz UYERITZVBCGCKM-GOSISDBHSA-N 2 2 379.508 3.550 20 0 GHADLP O[C@H](c1ccccc1)C1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000795850872 912909531 /nfs/dbraw/zinc/90/95/31/912909531.db2.gz CIZIFQGFAPWWEM-RUZDIDTESA-N 2 2 393.575 3.644 20 0 GHADLP CC(C[NH+]1CCCC[C@@H]1c1cnn(C)c1)C[N@@H+]1CCCC[C@@H]1c1cnn(C)c1 ZINC000556532988 885259553 /nfs/dbraw/zinc/25/95/53/885259553.db2.gz AQBDHQSXLWVBEZ-FGZHOGPDSA-N 2 2 384.572 3.544 20 0 GHADLP CC(C[NH+]1CCCC[C@@H]1c1cnn(C)c1)C[N@H+]1CCCC[C@@H]1c1cnn(C)c1 ZINC000556532988 885259564 /nfs/dbraw/zinc/25/95/64/885259564.db2.gz AQBDHQSXLWVBEZ-FGZHOGPDSA-N 2 2 384.572 3.544 20 0 GHADLP COCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000655766578 885379319 /nfs/dbraw/zinc/37/93/19/885379319.db2.gz RUFUFSDRTJVDKM-VQIMIIECSA-N 2 2 387.351 3.914 20 0 GHADLP c1cn(Cc2ccccc2)nc1C[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000556607714 885631635 /nfs/dbraw/zinc/63/16/35/885631635.db2.gz ASPDFMSTHTZDBU-HVCNVCAESA-N 2 2 386.543 3.932 20 0 GHADLP c1cn(Cc2ccccc2)nc1C[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556607714 885631643 /nfs/dbraw/zinc/63/16/43/885631643.db2.gz ASPDFMSTHTZDBU-HVCNVCAESA-N 2 2 386.543 3.932 20 0 GHADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(Cl)s1 ZINC000542558688 885982738 /nfs/dbraw/zinc/98/27/38/885982738.db2.gz BCSQYRJTRCTNRX-OAHLLOKOSA-N 2 2 397.997 3.848 20 0 GHADLP CC1(C)C(=O)N(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)[C@H]1c1ccncc1 ZINC000808140901 886044104 /nfs/dbraw/zinc/04/41/04/886044104.db2.gz QTGUAODPPKHESB-NRFANRHFSA-N 2 2 384.568 3.537 20 0 GHADLP C[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000532587179 886188563 /nfs/dbraw/zinc/18/85/63/886188563.db2.gz XHUOYKVOTOVGLN-GOSISDBHSA-N 2 2 395.572 3.621 20 0 GHADLP C[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000532587179 886188575 /nfs/dbraw/zinc/18/85/75/886188575.db2.gz XHUOYKVOTOVGLN-GOSISDBHSA-N 2 2 395.572 3.621 20 0 GHADLP Cc1cccc(COCc2cnc3n2CC[N@H+](C2CCC([NH+](C)C)CC2)[C@@H]3C)n1 ZINC001168319259 886225757 /nfs/dbraw/zinc/22/57/57/886225757.db2.gz QBNFDCZWSBXRCP-KMFTYDHNSA-N 2 2 397.567 3.553 20 0 GHADLP Cc1cccc(COCc2cnc3n2CC[N@@H+](C2CCC([NH+](C)C)CC2)[C@@H]3C)n1 ZINC001168319259 886225775 /nfs/dbraw/zinc/22/57/75/886225775.db2.gz QBNFDCZWSBXRCP-KMFTYDHNSA-N 2 2 397.567 3.553 20 0 GHADLP CC(C)[C@H](c1ccccc1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000112747090 886272425 /nfs/dbraw/zinc/27/24/25/886272425.db2.gz MBCWQGUCOLUPPH-JOCHJYFZSA-N 2 2 386.584 3.584 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)[C@H](C)C1 ZINC000537615639 886612650 /nfs/dbraw/zinc/61/26/50/886612650.db2.gz MDAKTZJKYYKFDS-DNVCBOLYSA-N 2 2 391.357 3.797 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)[C@H](C)C1 ZINC000537615639 886612656 /nfs/dbraw/zinc/61/26/56/886612656.db2.gz MDAKTZJKYYKFDS-DNVCBOLYSA-N 2 2 391.357 3.797 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)[C@H](C)C1 ZINC000537615639 886612660 /nfs/dbraw/zinc/61/26/60/886612660.db2.gz MDAKTZJKYYKFDS-DNVCBOLYSA-N 2 2 391.357 3.797 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)[C@H](C)C1 ZINC000537615639 886612665 /nfs/dbraw/zinc/61/26/65/886612665.db2.gz MDAKTZJKYYKFDS-DNVCBOLYSA-N 2 2 391.357 3.797 20 0 GHADLP c1cn(Cc2ccccc2)c(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)[nH+]1 ZINC000132153381 886705838 /nfs/dbraw/zinc/70/58/38/886705838.db2.gz VITPNPYCYQMMHB-UHFFFAOYSA-N 3 2 388.559 3.771 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000057604904 886767591 /nfs/dbraw/zinc/76/75/91/886767591.db2.gz OPGRGZYBLYFCNL-NRFANRHFSA-N 2 2 396.535 3.686 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ccc(-n4ccnc4)nc3)C2)s1 ZINC000809558977 887538215 /nfs/dbraw/zinc/53/82/15/887538215.db2.gz FTRLIVPWPVWMIL-IBGZPJMESA-N 2 2 381.549 3.591 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ccc(-n4ccnc4)nc3)C2)s1 ZINC000809558977 887538224 /nfs/dbraw/zinc/53/82/24/887538224.db2.gz FTRLIVPWPVWMIL-IBGZPJMESA-N 2 2 381.549 3.591 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3ccc(-n4ccnc4)nc3)C2)s1 ZINC000809558977 887538232 /nfs/dbraw/zinc/53/82/32/887538232.db2.gz FTRLIVPWPVWMIL-IBGZPJMESA-N 2 2 381.549 3.591 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3ccc(-n4ccnc4)nc3)C2)s1 ZINC000809558977 887538241 /nfs/dbraw/zinc/53/82/41/887538241.db2.gz FTRLIVPWPVWMIL-IBGZPJMESA-N 2 2 381.549 3.591 20 0 GHADLP CC(C)C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051759468 887782728 /nfs/dbraw/zinc/78/27/28/887782728.db2.gz FIXWBPMRAZUKBG-QFIPXVFZSA-N 2 2 386.584 3.632 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cc2cc(Br)nn2C)CC1)CC(C)C ZINC000809754729 887794348 /nfs/dbraw/zinc/79/43/48/887794348.db2.gz AGOYOMGSWQFSNG-UHFFFAOYSA-N 2 2 385.394 3.763 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cc2cc(Br)nn2C)CC1)CC(C)C ZINC000809754729 887794356 /nfs/dbraw/zinc/79/43/56/887794356.db2.gz AGOYOMGSWQFSNG-UHFFFAOYSA-N 2 2 385.394 3.763 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccco2)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000809762894 887805216 /nfs/dbraw/zinc/80/52/16/887805216.db2.gz DAYWWLRUFIBTOV-QFIPXVFZSA-N 2 2 391.556 3.823 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccco2)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000809762894 887805223 /nfs/dbraw/zinc/80/52/23/887805223.db2.gz DAYWWLRUFIBTOV-QFIPXVFZSA-N 2 2 391.556 3.823 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3csc(-c4ccccc4)n3)[nH+]c2)CC1 ZINC000532866021 889163688 /nfs/dbraw/zinc/16/36/88/889163688.db2.gz GRCNJSXGJHDSON-UHFFFAOYSA-N 2 2 393.560 3.770 20 0 GHADLP CC(C)[NH+]1CCC(CCNC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000868945211 889681901 /nfs/dbraw/zinc/68/19/01/889681901.db2.gz ZCDDDMXWASCBKT-NRFANRHFSA-N 2 2 397.567 3.514 20 0 GHADLP Cc1cccc([C@H](C)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124765375 889754556 /nfs/dbraw/zinc/75/45/56/889754556.db2.gz PANPHWSEKDUTSX-VJBMBRPKSA-N 2 2 385.596 3.894 20 0 GHADLP Cc1cccc([C@H](C)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124765375 889754562 /nfs/dbraw/zinc/75/45/62/889754562.db2.gz PANPHWSEKDUTSX-VJBMBRPKSA-N 2 2 385.596 3.894 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000533105973 889778999 /nfs/dbraw/zinc/77/89/99/889778999.db2.gz BAJHQJHDLUIQIV-DEOSSOPVSA-N 2 2 391.490 3.614 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000533105973 889779013 /nfs/dbraw/zinc/77/90/13/889779013.db2.gz BAJHQJHDLUIQIV-DEOSSOPVSA-N 2 2 391.490 3.614 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000533347556 890307830 /nfs/dbraw/zinc/30/78/30/890307830.db2.gz PJSXPQHAPGHPFV-UHFFFAOYSA-N 2 2 378.476 3.823 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CCCCC[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000533447094 890608172 /nfs/dbraw/zinc/60/81/72/890608172.db2.gz ZFFLLBSSBDUVJL-CWBXHPNXSA-N 4 2 380.665 3.766 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CCCCC[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000533447094 890608173 /nfs/dbraw/zinc/60/81/73/890608173.db2.gz ZFFLLBSSBDUVJL-CWBXHPNXSA-N 4 2 380.665 3.766 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CCCCC[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000533447094 890608176 /nfs/dbraw/zinc/60/81/76/890608176.db2.gz ZFFLLBSSBDUVJL-CWBXHPNXSA-N 4 2 380.665 3.766 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CCCCC[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000533447094 890608179 /nfs/dbraw/zinc/60/81/79/890608179.db2.gz ZFFLLBSSBDUVJL-CWBXHPNXSA-N 4 2 380.665 3.766 20 0 GHADLP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCOc4ccc(F)cc43)cc2)CC1 ZINC000126666520 890640979 /nfs/dbraw/zinc/64/09/79/890640979.db2.gz HDIXGNABRMZIHT-QFIPXVFZSA-N 2 2 383.511 3.577 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000533534462 890775068 /nfs/dbraw/zinc/77/50/68/890775068.db2.gz PRVWYCZXEPGGDW-MXKPZRPRSA-N 2 2 382.552 3.724 20 0 GHADLP COc1cccc([C@@H](CNC(=O)Nc2c(C)cc(C)[nH+]c2C)[NH+]2CCCC2)c1 ZINC000455461266 890981292 /nfs/dbraw/zinc/98/12/92/890981292.db2.gz BMCHSDBYSGIGFG-HXUWFJFHSA-N 2 2 382.508 3.974 20 0 GHADLP C[C@H]1C[C@H]([NH2+]CC(=O)Nc2cccc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000812829107 891012925 /nfs/dbraw/zinc/01/29/25/891012925.db2.gz MNOPIFFCBWZSBD-GHTZIAJQSA-N 2 2 388.515 3.816 20 0 GHADLP C[C@H]1C[C@H]([NH2+]CC(=O)Nc2cccc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000812829107 891012934 /nfs/dbraw/zinc/01/29/34/891012934.db2.gz MNOPIFFCBWZSBD-GHTZIAJQSA-N 2 2 388.515 3.816 20 0 GHADLP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCOCC1 ZINC000246852606 891315866 /nfs/dbraw/zinc/31/58/66/891315866.db2.gz CQCLZLKASSPCEG-ZJSXRUAMSA-N 2 2 393.575 3.938 20 0 GHADLP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCOCC1 ZINC000246852606 891315884 /nfs/dbraw/zinc/31/58/84/891315884.db2.gz CQCLZLKASSPCEG-ZJSXRUAMSA-N 2 2 393.575 3.938 20 0 GHADLP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000246864529 891318161 /nfs/dbraw/zinc/31/81/61/891318161.db2.gz CQQFYZBCXZNUGT-JPYJTQIMSA-N 2 2 389.547 3.884 20 0 GHADLP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000246864529 891318174 /nfs/dbraw/zinc/31/81/74/891318174.db2.gz CQQFYZBCXZNUGT-JPYJTQIMSA-N 2 2 389.547 3.884 20 0 GHADLP Brc1ccc([C@H]2CCC[N@@H+]2Cc2cc3c(s2)CC[NH2+]C3)nc1 ZINC000873211454 891525089 /nfs/dbraw/zinc/52/50/89/891525089.db2.gz NQDKKJLIJCBPQQ-MRXNPFEDSA-N 2 2 378.339 3.888 20 0 GHADLP Brc1ccc([C@H]2CCC[N@H+]2Cc2cc3c(s2)CC[NH2+]C3)nc1 ZINC000873211454 891525101 /nfs/dbraw/zinc/52/51/01/891525101.db2.gz NQDKKJLIJCBPQQ-MRXNPFEDSA-N 2 2 378.339 3.888 20 0 GHADLP Cc1cc(Br)ccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000497503604 891724396 /nfs/dbraw/zinc/72/43/96/891724396.db2.gz ABTAAHVHTURWFE-YOFSQIOKSA-N 2 2 392.385 3.500 20 0 GHADLP Cc1cc(Br)ccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000497503604 891724405 /nfs/dbraw/zinc/72/44/05/891724405.db2.gz ABTAAHVHTURWFE-YOFSQIOKSA-N 2 2 392.385 3.500 20 0 GHADLP CCc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124699378 891850629 /nfs/dbraw/zinc/85/06/29/891850629.db2.gz NRIHDGWXHIYSDK-OALUTQOASA-N 2 2 377.598 3.720 20 0 GHADLP CCc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124699378 891850638 /nfs/dbraw/zinc/85/06/38/891850638.db2.gz NRIHDGWXHIYSDK-OALUTQOASA-N 2 2 377.598 3.720 20 0 GHADLP C[NH+](C)Cc1ccc(-c2noc([C@@H]([NH3+])c3ccccc3Br)n2)cc1 ZINC001212091332 891947860 /nfs/dbraw/zinc/94/78/60/891947860.db2.gz QOHDVPGVALLNCP-INIZCTEOSA-N 2 2 387.281 3.609 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000813788062 891975898 /nfs/dbraw/zinc/97/58/98/891975898.db2.gz VFDSDRPMZCSSIA-IBGZPJMESA-N 2 2 382.508 3.752 20 0 GHADLP CC1(C)Cc2occc2[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000162021591 891978285 /nfs/dbraw/zinc/97/82/85/891978285.db2.gz JYQVASRIJBVKQP-HXUWFJFHSA-N 2 2 384.520 3.794 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1ccc(OCC2CC2)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261650456 892057176 /nfs/dbraw/zinc/05/71/76/892057176.db2.gz BBQZWIXLBKBFSN-JOCHJYFZSA-N 2 2 394.563 3.836 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1ccc(OCC2CC2)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261650456 892057194 /nfs/dbraw/zinc/05/71/94/892057194.db2.gz BBQZWIXLBKBFSN-JOCHJYFZSA-N 2 2 394.563 3.836 20 0 GHADLP CCCC1(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000162277563 892154102 /nfs/dbraw/zinc/15/41/02/892154102.db2.gz VELIJCDFTIJAJZ-VQTJNVASSA-N 2 2 378.605 3.545 20 0 GHADLP CCCC1(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000162277563 892154115 /nfs/dbraw/zinc/15/41/15/892154115.db2.gz VELIJCDFTIJAJZ-VQTJNVASSA-N 2 2 378.605 3.545 20 0 GHADLP C[NH2+]CCC1CC[NH+](Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)CC1 ZINC000261980798 892184763 /nfs/dbraw/zinc/18/47/63/892184763.db2.gz HYPQMJLURWMBQD-UHFFFAOYSA-N 2 2 386.565 3.958 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](c3ccc(F)cn3)C(C)C)cc2)CC1 ZINC000497841865 892530242 /nfs/dbraw/zinc/53/02/42/892530242.db2.gz GREJNWCWQARURE-HSZRJFAPSA-N 2 2 384.543 3.845 20 0 GHADLP Cc1c([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cnn1-c1ccc(Cl)cc1Cl ZINC000562962678 893222513 /nfs/dbraw/zinc/22/25/13/893222513.db2.gz KKBKECYRILPNMA-SWLSCSKDSA-N 2 2 383.323 3.517 20 0 GHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696469 893329945 /nfs/dbraw/zinc/32/99/45/893329945.db2.gz HYQXEFSXUWHHMQ-ZEQRLZLVSA-N 2 2 398.639 3.785 20 0 GHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696469 893329963 /nfs/dbraw/zinc/32/99/63/893329963.db2.gz HYQXEFSXUWHHMQ-ZEQRLZLVSA-N 2 2 398.639 3.785 20 0 GHADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696469 893329977 /nfs/dbraw/zinc/32/99/77/893329977.db2.gz HYQXEFSXUWHHMQ-ZEQRLZLVSA-N 2 2 398.639 3.785 20 0 GHADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696469 893329996 /nfs/dbraw/zinc/32/99/96/893329996.db2.gz HYQXEFSXUWHHMQ-ZEQRLZLVSA-N 2 2 398.639 3.785 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cnc(C3CCCCC3)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536664314 893476141 /nfs/dbraw/zinc/47/61/41/893476141.db2.gz KTKHNMYHPXMMJO-XLIONFOSSA-N 2 2 376.614 3.649 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cnc(C3CCCCC3)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536664314 893476147 /nfs/dbraw/zinc/47/61/47/893476147.db2.gz KTKHNMYHPXMMJO-XLIONFOSSA-N 2 2 376.614 3.649 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129529408 893565030 /nfs/dbraw/zinc/56/50/30/893565030.db2.gz PKRDURDQIGHUMK-KDOFPFPSSA-N 2 2 395.334 3.731 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129529408 893565052 /nfs/dbraw/zinc/56/50/52/893565052.db2.gz PKRDURDQIGHUMK-KDOFPFPSSA-N 2 2 395.334 3.731 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000444800163 893581848 /nfs/dbraw/zinc/58/18/48/893581848.db2.gz ISTLMPLAEGGSEY-LJQANCHMSA-N 2 2 380.536 3.965 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000444800163 893581865 /nfs/dbraw/zinc/58/18/65/893581865.db2.gz ISTLMPLAEGGSEY-LJQANCHMSA-N 2 2 380.536 3.965 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000129564761 893638578 /nfs/dbraw/zinc/63/85/78/893638578.db2.gz FIZXTQLKYYSYAW-XLIONFOSSA-N 2 2 386.515 3.732 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000129564761 893638585 /nfs/dbraw/zinc/63/85/85/893638585.db2.gz FIZXTQLKYYSYAW-XLIONFOSSA-N 2 2 386.515 3.732 20 0 GHADLP FC(F)(F)c1ccc(O[C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)nc1 ZINC000536745632 893685262 /nfs/dbraw/zinc/68/52/62/893685262.db2.gz CJMVHPAXOKFYAZ-SFHVURJKSA-N 2 2 388.393 3.939 20 0 GHADLP FC(F)(F)c1ccc(O[C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)nc1 ZINC000536745632 893685272 /nfs/dbraw/zinc/68/52/72/893685272.db2.gz CJMVHPAXOKFYAZ-SFHVURJKSA-N 2 2 388.393 3.939 20 0 GHADLP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1C ZINC000563439150 893725797 /nfs/dbraw/zinc/72/57/97/893725797.db2.gz FTOPRXHEOGXKPF-LPHOPBHVSA-N 2 2 380.458 3.920 20 0 GHADLP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1C ZINC000563439150 893725811 /nfs/dbraw/zinc/72/58/11/893725811.db2.gz FTOPRXHEOGXKPF-LPHOPBHVSA-N 2 2 380.458 3.920 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cc2nnnn2-c2c(C)cccc2C)CC1)CC(C)C ZINC000536885098 894020955 /nfs/dbraw/zinc/02/09/55/894020955.db2.gz JHENVDNNOSCHEA-UHFFFAOYSA-N 2 2 398.599 3.859 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cc2nnnn2-c2c(C)cccc2C)CC1)CC(C)C ZINC000536885098 894020973 /nfs/dbraw/zinc/02/09/73/894020973.db2.gz JHENVDNNOSCHEA-UHFFFAOYSA-N 2 2 398.599 3.859 20 0 GHADLP CSc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000563670656 894050907 /nfs/dbraw/zinc/05/09/07/894050907.db2.gz UQCDAOJILBLEEK-NMNUPHIUSA-N 2 2 398.620 3.906 20 0 GHADLP CSc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000563670656 894050924 /nfs/dbraw/zinc/05/09/24/894050924.db2.gz UQCDAOJILBLEEK-NMNUPHIUSA-N 2 2 398.620 3.906 20 0 GHADLP CC[N@@H+](Cc1nnc(-c2cccc(O)c2)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000878150033 894052889 /nfs/dbraw/zinc/05/28/89/894052889.db2.gz DMWXPESPQXYPKM-UHFFFAOYSA-N 2 2 393.491 3.576 20 0 GHADLP CC[N@H+](Cc1nnc(-c2cccc(O)c2)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000878150033 894052907 /nfs/dbraw/zinc/05/29/07/894052907.db2.gz DMWXPESPQXYPKM-UHFFFAOYSA-N 2 2 393.491 3.576 20 0 GHADLP CC[N@H+](CCC1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1)CC(C)C ZINC000536924055 894139308 /nfs/dbraw/zinc/13/93/08/894139308.db2.gz HXQIOYROPDOKAM-UHFFFAOYSA-N 2 2 384.568 3.792 20 0 GHADLP CC[N@@H+](CCC1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1)CC(C)C ZINC000536924055 894139312 /nfs/dbraw/zinc/13/93/12/894139312.db2.gz HXQIOYROPDOKAM-UHFFFAOYSA-N 2 2 384.568 3.792 20 0 GHADLP CCc1oc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1C(=O)OC ZINC000563790108 894197685 /nfs/dbraw/zinc/19/76/85/894197685.db2.gz WBLJEODIKPCQEX-MOPGFXCFSA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1C(=O)OC ZINC000563790108 894197693 /nfs/dbraw/zinc/19/76/93/894197693.db2.gz WBLJEODIKPCQEX-MOPGFXCFSA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1C(=O)OC ZINC000563790108 894197700 /nfs/dbraw/zinc/19/77/00/894197700.db2.gz WBLJEODIKPCQEX-MOPGFXCFSA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1C(=O)OC ZINC000563790108 894197707 /nfs/dbraw/zinc/19/77/07/894197707.db2.gz WBLJEODIKPCQEX-MOPGFXCFSA-N 2 2 382.504 3.583 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2c(C)cccc2Cl)[C@H](C)C1 ZINC000878445385 894297798 /nfs/dbraw/zinc/29/77/98/894297798.db2.gz GIIUOWAMPFLFCT-AOIWGVFYSA-N 2 2 395.975 3.702 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2c(C)cccc2Cl)[C@H](C)C1 ZINC000878445385 894297804 /nfs/dbraw/zinc/29/78/04/894297804.db2.gz GIIUOWAMPFLFCT-AOIWGVFYSA-N 2 2 395.975 3.702 20 0 GHADLP O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000935337091 894374872 /nfs/dbraw/zinc/37/48/72/894374872.db2.gz SCMPQINAXNRSSQ-UHFFFAOYSA-N 2 2 384.524 3.795 20 0 GHADLP C[NH+](C)C1(C)CCC(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000879032752 894797691 /nfs/dbraw/zinc/79/76/91/894797691.db2.gz CUXFGRHRBDFRFK-UHFFFAOYSA-N 2 2 393.535 3.986 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H](C)O1 ZINC000460186365 894828346 /nfs/dbraw/zinc/82/83/46/894828346.db2.gz XNYRAJQJGRTMBA-RTBURBONSA-N 2 2 387.568 3.746 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccncc2OCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000645457482 913911223 /nfs/dbraw/zinc/91/12/23/913911223.db2.gz VPDFTZMJGMAGGJ-ROUUACIJSA-N 2 2 379.426 3.948 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccncc2OCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000645457482 913911238 /nfs/dbraw/zinc/91/12/38/913911238.db2.gz VPDFTZMJGMAGGJ-ROUUACIJSA-N 2 2 379.426 3.948 20 0 GHADLP CC[N@H+](Cc1cnn(C)c1Cl)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000816509814 894887833 /nfs/dbraw/zinc/88/78/33/894887833.db2.gz CSPQAJSVTBCXHD-UHFFFAOYSA-N 2 2 390.963 3.786 20 0 GHADLP CC[N@@H+](Cc1cnn(C)c1Cl)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000816509814 894887852 /nfs/dbraw/zinc/88/78/52/894887852.db2.gz CSPQAJSVTBCXHD-UHFFFAOYSA-N 2 2 390.963 3.786 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cnn(Cc2ccccc2)c1 ZINC000537458078 895059218 /nfs/dbraw/zinc/05/92/18/895059218.db2.gz URBKZTFTNSRGDH-PGRDOPGGSA-N 2 2 390.535 3.640 20 0 GHADLP COc1cccc(C[C@@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)C2CC2)c1 ZINC000537457795 895077041 /nfs/dbraw/zinc/07/70/41/895077041.db2.gz QWAHBLCHPJMWHV-IFMALSPDSA-N 2 2 380.536 3.664 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2)cs1 ZINC000565047669 895368623 /nfs/dbraw/zinc/36/86/23/895368623.db2.gz OJRSCYQEFLUTTA-PXNSSMCTSA-N 2 2 384.549 3.521 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2)cs1 ZINC000565047669 895368640 /nfs/dbraw/zinc/36/86/40/895368640.db2.gz OJRSCYQEFLUTTA-PXNSSMCTSA-N 2 2 384.549 3.521 20 0 GHADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000880135517 895533757 /nfs/dbraw/zinc/53/37/57/895533757.db2.gz WQLXNLAUCWPGLQ-SFTDATJTSA-N 2 2 379.504 3.976 20 0 GHADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000880135517 895533774 /nfs/dbraw/zinc/53/37/74/895533774.db2.gz WQLXNLAUCWPGLQ-SFTDATJTSA-N 2 2 379.504 3.976 20 0 GHADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000880135517 895533788 /nfs/dbraw/zinc/53/37/88/895533788.db2.gz WQLXNLAUCWPGLQ-SFTDATJTSA-N 2 2 379.504 3.976 20 0 GHADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000880135517 895533805 /nfs/dbraw/zinc/53/38/05/895533805.db2.gz WQLXNLAUCWPGLQ-SFTDATJTSA-N 2 2 379.504 3.976 20 0 GHADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000880135516 895534440 /nfs/dbraw/zinc/53/44/40/895534440.db2.gz WQLXNLAUCWPGLQ-RTWAWAEBSA-N 2 2 379.504 3.976 20 0 GHADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000880135516 895534445 /nfs/dbraw/zinc/53/44/45/895534445.db2.gz WQLXNLAUCWPGLQ-RTWAWAEBSA-N 2 2 379.504 3.976 20 0 GHADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000880135516 895534455 /nfs/dbraw/zinc/53/44/55/895534455.db2.gz WQLXNLAUCWPGLQ-RTWAWAEBSA-N 2 2 379.504 3.976 20 0 GHADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000880135516 895534463 /nfs/dbraw/zinc/53/44/63/895534463.db2.gz WQLXNLAUCWPGLQ-RTWAWAEBSA-N 2 2 379.504 3.976 20 0 GHADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)OCCc2ccccc21 ZINC000565448342 895633596 /nfs/dbraw/zinc/63/35/96/895633596.db2.gz APGMTOSRQAVIMX-MBSDFSHPSA-N 2 2 377.488 3.638 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(F)c3C(C)(F)F)CC2)CC1 ZINC000880732927 895845282 /nfs/dbraw/zinc/84/52/82/895845282.db2.gz XAHBDVYQOQFCLJ-UHFFFAOYSA-N 2 2 398.473 3.618 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]C3(c4ccccc4)CCOCC3)C2)cc1 ZINC000565907310 895971523 /nfs/dbraw/zinc/97/15/23/895971523.db2.gz FTHFURNKOZGPDH-QHCPKHFHSA-N 2 2 380.532 3.573 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]C3(c4ccccc4)CCOCC3)C2)cc1 ZINC000565907310 895971529 /nfs/dbraw/zinc/97/15/29/895971529.db2.gz FTHFURNKOZGPDH-QHCPKHFHSA-N 2 2 380.532 3.573 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000565986385 896028411 /nfs/dbraw/zinc/02/84/11/896028411.db2.gz LGDICIRYVJXJMZ-UHFFFAOYSA-N 2 2 384.487 3.628 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000565986385 896028418 /nfs/dbraw/zinc/02/84/18/896028418.db2.gz LGDICIRYVJXJMZ-UHFFFAOYSA-N 2 2 384.487 3.628 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819182634 896452630 /nfs/dbraw/zinc/45/26/30/896452630.db2.gz GDPNHTMLWLUKQC-VBKZILBWSA-N 2 2 377.891 3.723 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CCc4cccc(Cl)c4C3)CC2)C1 ZINC001170945377 897264366 /nfs/dbraw/zinc/26/43/66/897264366.db2.gz WOCRKXJBCFOPIG-PKOBYXMFSA-N 2 2 390.955 3.547 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CCc4cccc(Cl)c4C3)CC2)C1 ZINC001170945377 897264383 /nfs/dbraw/zinc/26/43/83/897264383.db2.gz WOCRKXJBCFOPIG-PKOBYXMFSA-N 2 2 390.955 3.547 20 0 GHADLP CCC[NH2+][C@H](C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000567802064 897408226 /nfs/dbraw/zinc/40/82/26/897408226.db2.gz SJVLBGHOORBEJO-GOSISDBHSA-N 2 2 376.504 3.603 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883387029 897550665 /nfs/dbraw/zinc/55/06/65/897550665.db2.gz QPMDOARZDYBBRL-FGTMMUONSA-N 2 2 377.435 3.581 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccc(-n2cnnc2)c1 ZINC000820829795 897570618 /nfs/dbraw/zinc/57/06/18/897570618.db2.gz MMOXSXJQYZGUAL-MSOLQXFVSA-N 2 2 376.508 3.539 20 0 GHADLP OCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000646017635 914190957 /nfs/dbraw/zinc/19/09/57/914190957.db2.gz OAQZHPBDMNDESQ-LJQANCHMSA-N 2 2 391.393 3.984 20 0 GHADLP Cc1cccc2ncc(C[NH+]3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)n21 ZINC001137196476 897898794 /nfs/dbraw/zinc/89/87/94/897898794.db2.gz HVTKIYDVOAQWEA-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2ncc(C[NH+]3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)n21 ZINC001137196476 897898797 /nfs/dbraw/zinc/89/87/97/897898797.db2.gz HVTKIYDVOAQWEA-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2ncc(C[N@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)n21 ZINC001137196476 897898801 /nfs/dbraw/zinc/89/88/01/897898801.db2.gz HVTKIYDVOAQWEA-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2ncc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)n21 ZINC001137196476 897898804 /nfs/dbraw/zinc/89/88/04/897898804.db2.gz HVTKIYDVOAQWEA-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)cc2)c[nH+]1 ZINC000101543963 897944209 /nfs/dbraw/zinc/94/42/09/897944209.db2.gz JGDLDCBKVQFKBS-IBGZPJMESA-N 2 2 376.508 3.570 20 0 GHADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)cc2)c[nH+]1 ZINC000101543963 897944220 /nfs/dbraw/zinc/94/42/20/897944220.db2.gz JGDLDCBKVQFKBS-IBGZPJMESA-N 2 2 376.508 3.570 20 0 GHADLP O=C(CCC[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(Br)cc1 ZINC000289525240 914223223 /nfs/dbraw/zinc/22/32/23/914223223.db2.gz GHKWMAPFUJCXJI-UHFFFAOYSA-N 2 2 376.298 3.946 20 0 GHADLP Cc1cc(CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc(C)[nH+]1 ZINC000568854296 898166795 /nfs/dbraw/zinc/16/67/95/898166795.db2.gz AHFJADREZNDJDM-UHFFFAOYSA-N 2 2 381.524 3.542 20 0 GHADLP OCC1([NH2+]CC2CC2)CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000568871102 898179752 /nfs/dbraw/zinc/17/97/52/898179752.db2.gz SHDIAKREIGCSNG-UHFFFAOYSA-N 2 2 394.559 3.619 20 0 GHADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(F)ccc1Br ZINC000568927870 898217786 /nfs/dbraw/zinc/21/77/86/898217786.db2.gz JXSJFKDGDGNYKI-UHFFFAOYSA-N 2 2 396.304 3.604 20 0 GHADLP OCC1([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc2)CC=CC1 ZINC000646083456 914239256 /nfs/dbraw/zinc/23/92/56/914239256.db2.gz YBRGNXVZIFJQJZ-DEOSSOPVSA-N 2 2 392.543 3.678 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cccc(N4CCCC4=O)c3)CC2)cc1 ZINC000155293777 898571970 /nfs/dbraw/zinc/57/19/70/898571970.db2.gz AZMPHOFMOBFRFO-UHFFFAOYSA-N 2 2 392.547 3.638 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794467 898594895 /nfs/dbraw/zinc/59/48/95/898594895.db2.gz OVDHOMOCLFQOFK-CQSZACIVSA-N 2 2 376.888 3.518 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(SC(F)F)cc1 ZINC000155352282 898674318 /nfs/dbraw/zinc/67/43/18/898674318.db2.gz SMQMGOVPZDHUOS-RHSMWYFYSA-N 2 2 385.524 3.595 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(SC(F)F)cc1 ZINC000155352282 898674322 /nfs/dbraw/zinc/67/43/22/898674322.db2.gz SMQMGOVPZDHUOS-RHSMWYFYSA-N 2 2 385.524 3.595 20 0 GHADLP CC(C)[NH2+]C1(CO)CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000569985925 899055881 /nfs/dbraw/zinc/05/58/81/899055881.db2.gz UZAJYMVIOQKKAW-UHFFFAOYSA-N 2 2 393.984 3.805 20 0 GHADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000570524888 899360468 /nfs/dbraw/zinc/36/04/68/899360468.db2.gz APGNGWCHJRTPEH-IBGZPJMESA-N 2 2 395.547 3.825 20 0 GHADLP Cc1cc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)ccc1OCC[NH+]1CCCC1 ZINC001136868259 899580320 /nfs/dbraw/zinc/58/03/20/899580320.db2.gz YZQUXEJABMQPNN-FQEVSTJZSA-N 2 2 384.524 3.892 20 0 GHADLP Cc1cccn2c(C[NH+]3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)cnc12 ZINC001136963159 899877118 /nfs/dbraw/zinc/87/71/18/899877118.db2.gz MJEBYTHAPOGQNA-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2c(C[NH+]3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)cnc12 ZINC001136963159 899877123 /nfs/dbraw/zinc/87/71/23/899877123.db2.gz MJEBYTHAPOGQNA-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2c(C[N@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)cnc12 ZINC001136963159 899877129 /nfs/dbraw/zinc/87/71/29/899877129.db2.gz MJEBYTHAPOGQNA-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2c(C[N@@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)cnc12 ZINC001136963159 899877130 /nfs/dbraw/zinc/87/71/30/899877130.db2.gz MJEBYTHAPOGQNA-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000333184613 900017572 /nfs/dbraw/zinc/01/75/72/900017572.db2.gz SPXFFFVEJYMGFP-AEFFLSMTSA-N 2 2 391.585 3.515 20 0 GHADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000572089169 900064840 /nfs/dbraw/zinc/06/48/40/900064840.db2.gz TTXXIHQUBVKBEQ-RBUKOAKNSA-N 2 2 376.614 3.788 20 0 GHADLP [NH3+][C@@H]1CCc2c3ccccc3n(-c3c[nH+]c4c(Br)cccn34)c2C1 ZINC001171092833 900228651 /nfs/dbraw/zinc/22/86/51/900228651.db2.gz IAKGCHZGPXXBPX-GFCCVEGCSA-N 2 2 381.277 3.857 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)c3cc4ccccc4o3)CC2)CC1 ZINC000572832364 900285231 /nfs/dbraw/zinc/28/52/31/900285231.db2.gz LCSNASOLSBNOQW-GOSISDBHSA-N 2 2 398.551 3.695 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](C)c3cc4ccccc4o3)CC2)CC1 ZINC000572832364 900285245 /nfs/dbraw/zinc/28/52/45/900285245.db2.gz LCSNASOLSBNOQW-GOSISDBHSA-N 2 2 398.551 3.695 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccnc(NC(=O)OC(C)(C)C)c2)C1 ZINC001143700411 900370672 /nfs/dbraw/zinc/37/06/72/900370672.db2.gz ITGFYWHBWQTQQZ-QGZVFWFLSA-N 2 2 384.480 3.785 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccnc(NC(=O)OC(C)(C)C)c2)C1 ZINC001143700411 900370682 /nfs/dbraw/zinc/37/06/82/900370682.db2.gz ITGFYWHBWQTQQZ-QGZVFWFLSA-N 2 2 384.480 3.785 20 0 GHADLP COc1cccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)c1OC ZINC000573688401 900596931 /nfs/dbraw/zinc/59/69/31/900596931.db2.gz JCCWUEXGYKTTRH-QAPCUYQASA-N 2 2 387.549 3.791 20 0 GHADLP COc1cccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)c1OC ZINC000573688401 900596936 /nfs/dbraw/zinc/59/69/36/900596936.db2.gz JCCWUEXGYKTTRH-QAPCUYQASA-N 2 2 387.549 3.791 20 0 GHADLP CCC1([NH+]2CCC2)CC[NH+](CCCC[NH+]2CCC(CC)([NH+]3CCC3)CC2)CC1 ZINC000886714290 901243388 /nfs/dbraw/zinc/24/33/88/901243388.db2.gz HHBOHZGIWNNYKR-UHFFFAOYSA-N 4 2 390.660 3.667 20 0 GHADLP COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](CCc1c[nH+]cn1C)CC2 ZINC000290164145 914553271 /nfs/dbraw/zinc/55/32/71/914553271.db2.gz XUQGNXACUVEGPD-OAQYLSRUSA-N 2 2 383.517 3.689 20 0 GHADLP COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](CCc1c[nH+]cn1C)CC2 ZINC000290164145 914553286 /nfs/dbraw/zinc/55/32/86/914553286.db2.gz XUQGNXACUVEGPD-OAQYLSRUSA-N 2 2 383.517 3.689 20 0 GHADLP COc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccc1OC(=O)C1CC1 ZINC000290195419 914569005 /nfs/dbraw/zinc/56/90/05/914569005.db2.gz PEUBXMSRIGCLER-UHFFFAOYSA-N 2 2 391.471 3.545 20 0 GHADLP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000576228027 901843576 /nfs/dbraw/zinc/84/35/76/901843576.db2.gz WNRVORIMIIBFHJ-VXGBXAGGSA-N 2 2 390.742 3.907 20 0 GHADLP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000576228027 901843584 /nfs/dbraw/zinc/84/35/84/901843584.db2.gz WNRVORIMIIBFHJ-VXGBXAGGSA-N 2 2 390.742 3.907 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000333446793 902097541 /nfs/dbraw/zinc/09/75/41/902097541.db2.gz XPXBCOMIYCFMON-IEBWSBKVSA-N 2 2 393.535 3.977 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000576763037 902243287 /nfs/dbraw/zinc/24/32/87/902243287.db2.gz LBADRFPKBYCEQX-SFHVURJKSA-N 2 2 376.570 3.865 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000576763037 902243302 /nfs/dbraw/zinc/24/33/02/902243302.db2.gz LBADRFPKBYCEQX-SFHVURJKSA-N 2 2 376.570 3.865 20 0 GHADLP Cc1nc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1-c1ccccc1 ZINC000290364134 914644667 /nfs/dbraw/zinc/64/46/67/914644667.db2.gz JUJHAIIEYZNYHQ-UHFFFAOYSA-N 2 2 395.551 3.547 20 0 GHADLP Cc1nc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1-c1ccccc1 ZINC000290364134 914644669 /nfs/dbraw/zinc/64/46/69/914644669.db2.gz JUJHAIIEYZNYHQ-UHFFFAOYSA-N 2 2 395.551 3.547 20 0 GHADLP FC1CC[NH+](C2CC[NH+](Cc3c[nH]c4cc(Br)cnc34)CC2)CC1 ZINC001144704153 902667847 /nfs/dbraw/zinc/66/78/47/902667847.db2.gz XGYGCHOAAOBTQU-UHFFFAOYSA-N 2 2 395.320 3.724 20 0 GHADLP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000779015056 902864416 /nfs/dbraw/zinc/86/44/16/902864416.db2.gz MMLUWAJQAYLQNC-PWIZWCRZSA-N 2 2 388.556 3.692 20 0 GHADLP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000779015056 902864425 /nfs/dbraw/zinc/86/44/25/902864425.db2.gz MMLUWAJQAYLQNC-PWIZWCRZSA-N 2 2 388.556 3.692 20 0 GHADLP C[C@H](c1cccc(NC(=O)Nc2cccc(C[NH+](C)C)c2)c1)[NH+]1CCOCC1 ZINC000264337662 903031588 /nfs/dbraw/zinc/03/15/88/903031588.db2.gz VPIGDWHTGSHQGV-QGZVFWFLSA-N 2 2 382.508 3.785 20 0 GHADLP CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000264936796 903489080 /nfs/dbraw/zinc/48/90/80/903489080.db2.gz RNPTWFAGOMRGCC-UHFFFAOYSA-N 2 2 388.515 3.668 20 0 GHADLP Cc1cc(C)c(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH+]1 ZINC000578115345 903532984 /nfs/dbraw/zinc/53/29/84/903532984.db2.gz XQIZSXMEJQNHSA-FRIKZZABSA-N 2 2 378.520 3.693 20 0 GHADLP Cc1cc(C)c(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]1 ZINC000578115345 903532993 /nfs/dbraw/zinc/53/29/93/903532993.db2.gz XQIZSXMEJQNHSA-FRIKZZABSA-N 2 2 378.520 3.693 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cncc(Br)c1 ZINC000578144522 903556803 /nfs/dbraw/zinc/55/68/03/903556803.db2.gz WGWQDEGEFIQAMF-DYVFJYSZSA-N 2 2 390.329 3.553 20 0 GHADLP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cc2)c1 ZINC000578285746 903692993 /nfs/dbraw/zinc/69/29/93/903692993.db2.gz SYFBNCCAKVDUDI-MRXNPFEDSA-N 2 2 379.460 3.866 20 0 GHADLP COc1ccc(C(=O)CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000578632850 904018974 /nfs/dbraw/zinc/01/89/74/904018974.db2.gz QGFTVXLDBOJPRJ-YADHBBJMSA-N 2 2 378.516 3.722 20 0 GHADLP COc1ccc(C(=O)CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000578632850 904018990 /nfs/dbraw/zinc/01/89/90/904018990.db2.gz QGFTVXLDBOJPRJ-YADHBBJMSA-N 2 2 378.516 3.722 20 0 GHADLP COc1ccc(C(=O)CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000578632850 904019006 /nfs/dbraw/zinc/01/90/06/904019006.db2.gz QGFTVXLDBOJPRJ-YADHBBJMSA-N 2 2 378.516 3.722 20 0 GHADLP COc1ccc(C(=O)CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000578632850 904019022 /nfs/dbraw/zinc/01/90/22/904019022.db2.gz QGFTVXLDBOJPRJ-YADHBBJMSA-N 2 2 378.516 3.722 20 0 GHADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000578747376 904095166 /nfs/dbraw/zinc/09/51/66/904095166.db2.gz WQSJEXMPRKUKRQ-KRWDZBQOSA-N 2 2 394.519 3.614 20 0 GHADLP CCCN(CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000773107135 904437403 /nfs/dbraw/zinc/43/74/03/904437403.db2.gz LWPSYNVDQSRTIG-QUCCMNQESA-N 2 2 390.572 3.529 20 0 GHADLP CCCN(CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000773107135 904437409 /nfs/dbraw/zinc/43/74/09/904437409.db2.gz LWPSYNVDQSRTIG-QUCCMNQESA-N 2 2 390.572 3.529 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171540843 904766828 /nfs/dbraw/zinc/76/68/28/904766828.db2.gz WJAKCVXBEQVQAO-OAHLLOKOSA-N 2 2 392.469 3.514 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171540843 904766833 /nfs/dbraw/zinc/76/68/33/904766833.db2.gz WJAKCVXBEQVQAO-OAHLLOKOSA-N 2 2 392.469 3.514 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171540843 904766839 /nfs/dbraw/zinc/76/68/39/904766839.db2.gz WJAKCVXBEQVQAO-OAHLLOKOSA-N 2 2 392.469 3.514 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171540843 904766845 /nfs/dbraw/zinc/76/68/45/904766845.db2.gz WJAKCVXBEQVQAO-OAHLLOKOSA-N 2 2 392.469 3.514 20 0 GHADLP CC(C)(C)OC(=O)C1([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CCC([NH3+])CC1 ZINC001171506463 904782407 /nfs/dbraw/zinc/78/24/07/904782407.db2.gz XZJBJXPVBCFHKY-YZGUTLMUSA-N 2 2 398.469 3.533 20 0 GHADLP Cc1cccc2c1CC[C@H](N(c1cccc[nH+]1)[C@H]1COC3(C1)CC[NH2+]CC3)C2 ZINC001171573635 904842831 /nfs/dbraw/zinc/84/28/31/904842831.db2.gz XESDYXXHNDMACK-LEWJYISDSA-N 2 2 377.532 3.665 20 0 GHADLP CC[C@@H]1C[C@H]([N@H+]2CCc3[nH+]ccn3CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171825043 905039444 /nfs/dbraw/zinc/03/94/44/905039444.db2.gz LQLVALXSZKYZPC-PIIMJCKOSA-N 2 2 376.545 3.698 20 0 GHADLP CC[C@@H]1C[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171825043 905039464 /nfs/dbraw/zinc/03/94/64/905039464.db2.gz LQLVALXSZKYZPC-PIIMJCKOSA-N 2 2 376.545 3.698 20 0 GHADLP CC[N@H+](C[C@@H](O)c1ccc(F)cc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108828 905042985 /nfs/dbraw/zinc/04/29/85/905042985.db2.gz HIMXPUJMKUOSBB-HXUWFJFHSA-N 2 2 375.463 3.632 20 0 GHADLP CC[N@@H+](C[C@@H](O)c1ccc(F)cc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108828 905043005 /nfs/dbraw/zinc/04/30/05/905043005.db2.gz HIMXPUJMKUOSBB-HXUWFJFHSA-N 2 2 375.463 3.632 20 0 GHADLP O=C(c1ccccc1)N1CCC[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001171873833 905077638 /nfs/dbraw/zinc/07/76/38/905077638.db2.gz SOGWQYNPAYHHSN-QFIPXVFZSA-N 2 2 392.547 3.583 20 0 GHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171903801 905134279 /nfs/dbraw/zinc/13/42/79/905134279.db2.gz QNNBQRZFTVIWDB-QFIPXVFZSA-N 2 2 388.515 3.999 20 0 GHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171903801 905134285 /nfs/dbraw/zinc/13/42/85/905134285.db2.gz QNNBQRZFTVIWDB-QFIPXVFZSA-N 2 2 388.515 3.999 20 0 GHADLP CCOC(=O)c1ccnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171973189 905218386 /nfs/dbraw/zinc/21/83/86/905218386.db2.gz WVPCRCMOSNNPRG-HXUWFJFHSA-N 2 2 381.520 3.791 20 0 GHADLP CCOC(=O)c1ccnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171973189 905218404 /nfs/dbraw/zinc/21/84/04/905218404.db2.gz WVPCRCMOSNNPRG-HXUWFJFHSA-N 2 2 381.520 3.791 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@H]([NH2+]CC[NH+]3CCCCCC3)CC[C@H]2C1 ZINC001172518717 905613003 /nfs/dbraw/zinc/61/30/03/905613003.db2.gz KFUMQAIMYOTLDZ-RJGXRXQPSA-N 2 2 383.580 3.783 20 0 GHADLP CO[C@@H]1CCC[C@H]([N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)C1 ZINC001172935753 906002034 /nfs/dbraw/zinc/00/20/34/906002034.db2.gz LIYAKKKHSVXCJA-XUVXKRRUSA-N 2 2 379.495 3.572 20 0 GHADLP CO[C@@H]1CCC[C@H]([N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)C1 ZINC001172935753 906002052 /nfs/dbraw/zinc/00/20/52/906002052.db2.gz LIYAKKKHSVXCJA-XUVXKRRUSA-N 2 2 379.495 3.572 20 0 GHADLP CO[C@@H]1CCC[C@H]([NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)C1 ZINC001172935753 906002069 /nfs/dbraw/zinc/00/20/69/906002069.db2.gz LIYAKKKHSVXCJA-XUVXKRRUSA-N 2 2 379.495 3.572 20 0 GHADLP CO[C@@H]1CCC[C@H]([NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)C1 ZINC001172935753 906002087 /nfs/dbraw/zinc/00/20/87/906002087.db2.gz LIYAKKKHSVXCJA-XUVXKRRUSA-N 2 2 379.495 3.572 20 0 GHADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000628476366 906157088 /nfs/dbraw/zinc/15/70/88/906157088.db2.gz ZMPHCVQBBGUQGR-UHFFFAOYSA-N 2 2 388.943 3.807 20 0 GHADLP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000177783028 906215827 /nfs/dbraw/zinc/21/58/27/906215827.db2.gz KQWKXAMSRDKXOI-RXVVDRJESA-N 2 2 391.519 3.529 20 0 GHADLP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000177783028 906215843 /nfs/dbraw/zinc/21/58/43/906215843.db2.gz KQWKXAMSRDKXOI-RXVVDRJESA-N 2 2 391.519 3.529 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178199304 906308497 /nfs/dbraw/zinc/30/84/97/906308497.db2.gz KYYAYFZIRHNYKY-CABCVRRESA-N 2 2 387.480 3.827 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc(OCc2ccccc2)c1OC ZINC001206201592 906480825 /nfs/dbraw/zinc/48/08/25/906480825.db2.gz XXVSVRMCKIYOJV-RBUKOAKNSA-N 2 2 388.483 3.544 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc(OCc2ccccc2)c1OC ZINC001206201592 906480830 /nfs/dbraw/zinc/48/08/30/906480830.db2.gz XXVSVRMCKIYOJV-RBUKOAKNSA-N 2 2 388.483 3.544 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)C1 ZINC001173636350 906588498 /nfs/dbraw/zinc/58/84/98/906588498.db2.gz YPAFASABOIMHJR-UTKZUKDTSA-N 2 2 376.516 3.810 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)cc1 ZINC001173720668 906670913 /nfs/dbraw/zinc/67/09/13/906670913.db2.gz HCOYWOFNAIZLSI-MSOLQXFVSA-N 2 2 398.551 3.518 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)cc1 ZINC001173720668 906670914 /nfs/dbraw/zinc/67/09/14/906670914.db2.gz HCOYWOFNAIZLSI-MSOLQXFVSA-N 2 2 398.551 3.518 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)cc1 ZINC001173720668 906670918 /nfs/dbraw/zinc/67/09/18/906670918.db2.gz HCOYWOFNAIZLSI-MSOLQXFVSA-N 2 2 398.551 3.518 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)cc1 ZINC001173720668 906670922 /nfs/dbraw/zinc/67/09/22/906670922.db2.gz HCOYWOFNAIZLSI-MSOLQXFVSA-N 2 2 398.551 3.518 20 0 GHADLP OC1CC[NH+](CCC[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000180212485 906716123 /nfs/dbraw/zinc/71/61/23/906716123.db2.gz HTJUHTMYTUTHMQ-OAQYLSRUSA-N 2 2 390.474 3.814 20 0 GHADLP C[NH+](C)[C@@H](CC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)c1ccccc1 ZINC000629388407 906759808 /nfs/dbraw/zinc/75/98/08/906759808.db2.gz UXSHJBTYRZTMEO-QHCPKHFHSA-N 2 2 390.531 3.505 20 0 GHADLP CC[C@@H](c1ccncc1)[NH+](C)CC1(C[N@@H+](C)[C@@H](CC)c2ccncc2)COC1 ZINC000182377517 907194655 /nfs/dbraw/zinc/19/46/55/907194655.db2.gz WWGYQWUBPYGRDT-VXKWHMMOSA-N 2 2 382.552 3.959 20 0 GHADLP CC[C@@H](c1ccncc1)[NH+](C)CC1(C[N@H+](C)[C@@H](CC)c2ccncc2)COC1 ZINC000182377517 907194664 /nfs/dbraw/zinc/19/46/64/907194664.db2.gz WWGYQWUBPYGRDT-VXKWHMMOSA-N 2 2 382.552 3.959 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000773469081 907418500 /nfs/dbraw/zinc/41/85/00/907418500.db2.gz LCZOLUFKZQXEDY-LJQANCHMSA-N 2 2 375.557 3.744 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000773469081 907418503 /nfs/dbraw/zinc/41/85/03/907418503.db2.gz LCZOLUFKZQXEDY-LJQANCHMSA-N 2 2 375.557 3.744 20 0 GHADLP COc1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1OCC[NH+]1CCCC1 ZINC001175352990 907514890 /nfs/dbraw/zinc/51/48/90/907514890.db2.gz UHHHXZITUHFOAY-UHFFFAOYSA-N 2 2 382.508 3.909 20 0 GHADLP OCCC1([NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CCCCC1 ZINC001175907346 907821062 /nfs/dbraw/zinc/82/10/62/907821062.db2.gz NQTGMZSXFVUFCF-UHFFFAOYSA-N 2 2 379.976 3.527 20 0 GHADLP C[NH+](C)CCOc1ccc(Nc2cc(Br)cn3cc[nH+]c23)cc1 ZINC001176224562 907994070 /nfs/dbraw/zinc/99/40/70/907994070.db2.gz XTCRBWRZDYNOLE-UHFFFAOYSA-N 2 2 375.270 3.781 20 0 GHADLP CCOc1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)ccc1OC(=O)CC ZINC001177217345 908469012 /nfs/dbraw/zinc/46/90/12/908469012.db2.gz NZMOHLCIEVCVIF-UHFFFAOYSA-N 2 2 393.487 3.935 20 0 GHADLP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC001177244845 908483191 /nfs/dbraw/zinc/48/31/91/908483191.db2.gz IDVNYONEFNAROB-UHFFFAOYSA-N 2 2 392.469 3.704 20 0 GHADLP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC001177244845 908483197 /nfs/dbraw/zinc/48/31/97/908483197.db2.gz IDVNYONEFNAROB-UHFFFAOYSA-N 2 2 392.469 3.704 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000191510382 908635606 /nfs/dbraw/zinc/63/56/06/908635606.db2.gz FDOYKLCUBGPLBI-UHFFFAOYSA-N 2 2 375.423 3.686 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000191510382 908635609 /nfs/dbraw/zinc/63/56/09/908635609.db2.gz FDOYKLCUBGPLBI-UHFFFAOYSA-N 2 2 375.423 3.686 20 0 GHADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000191837646 908683033 /nfs/dbraw/zinc/68/30/33/908683033.db2.gz NJPDPNKQJOQMEP-WZONZLPQSA-N 2 2 381.520 3.587 20 0 GHADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000191837646 908683039 /nfs/dbraw/zinc/68/30/39/908683039.db2.gz NJPDPNKQJOQMEP-WZONZLPQSA-N 2 2 381.520 3.587 20 0 GHADLP Fc1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)ccc1-n1cc[nH+]c1 ZINC000067977598 908747989 /nfs/dbraw/zinc/74/79/89/908747989.db2.gz RYNMSYQPZOCXCM-UHFFFAOYSA-N 3 2 394.494 3.776 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)CC1 ZINC000192838855 908828711 /nfs/dbraw/zinc/82/87/11/908828711.db2.gz MGWHJBJNAODACU-RXVVDRJESA-N 2 2 379.976 3.518 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)CC1 ZINC000192838855 908828724 /nfs/dbraw/zinc/82/87/24/908828724.db2.gz MGWHJBJNAODACU-RXVVDRJESA-N 2 2 379.976 3.518 20 0 GHADLP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001178095048 908901103 /nfs/dbraw/zinc/90/11/03/908901103.db2.gz QVSDHPODIZBWAG-OAQYLSRUSA-N 2 2 396.510 3.678 20 0 GHADLP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001178095048 908901114 /nfs/dbraw/zinc/90/11/14/908901114.db2.gz QVSDHPODIZBWAG-OAQYLSRUSA-N 2 2 396.510 3.678 20 0 GHADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC001178172194 908948633 /nfs/dbraw/zinc/94/86/33/908948633.db2.gz ZTHSZLDMEJKYGA-IAGOWNOFSA-N 2 2 387.749 3.570 20 0 GHADLP COc1cccc(-c2n[nH]cc2C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC001178254472 908954626 /nfs/dbraw/zinc/95/46/26/908954626.db2.gz PDHNEAFNDLSCMY-KRWDZBQOSA-N 2 2 391.519 3.796 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]CC[N@@H+]3CCCC(C)(C)C3)CC[C@@H]2C1 ZINC001178581711 909105386 /nfs/dbraw/zinc/10/53/86/909105386.db2.gz XMSSZKCQKIMXJT-CEXWTWQISA-N 2 2 379.589 3.734 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]CC[N@H+]3CCCC(C)(C)C3)CC[C@@H]2C1 ZINC001178581711 909105392 /nfs/dbraw/zinc/10/53/92/909105392.db2.gz XMSSZKCQKIMXJT-CEXWTWQISA-N 2 2 379.589 3.734 20 0 GHADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000635140778 909155777 /nfs/dbraw/zinc/15/57/77/909155777.db2.gz BTIICDCABMXIRW-GOSISDBHSA-N 2 2 394.441 3.679 20 0 GHADLP CC(C)C[C@@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)n1cc[nH+]c1 ZINC000635874563 909367571 /nfs/dbraw/zinc/36/75/71/909367571.db2.gz JCYZPGIUSNWUPN-QFIPXVFZSA-N 2 2 397.567 3.887 20 0 GHADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000635979139 909398278 /nfs/dbraw/zinc/39/82/78/909398278.db2.gz ZIDUZEFXSVQAAK-KCZVDYSFSA-N 2 2 392.547 3.662 20 0 GHADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000635979139 909398297 /nfs/dbraw/zinc/39/82/97/909398297.db2.gz ZIDUZEFXSVQAAK-KCZVDYSFSA-N 2 2 392.547 3.662 20 0 GHADLP CC(C)(C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2)c1c[nH+]c[nH]1 ZINC000636131776 909448094 /nfs/dbraw/zinc/44/80/94/909448094.db2.gz UYKNNNUZEDDRGP-UHFFFAOYSA-N 2 2 380.536 3.592 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000267444874 909503955 /nfs/dbraw/zinc/50/39/55/909503955.db2.gz JSEJRQVKADUYIK-AUSIDOKSSA-N 2 2 388.515 3.714 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000267444874 909503963 /nfs/dbraw/zinc/50/39/63/909503963.db2.gz JSEJRQVKADUYIK-AUSIDOKSSA-N 2 2 388.515 3.714 20 0 GHADLP Cc1ccc(CN2CC[C@@H]([NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)C2)cc1 ZINC001179405888 909528342 /nfs/dbraw/zinc/52/83/42/909528342.db2.gz HTAUWVIZDSGREG-HSZRJFAPSA-N 2 2 392.591 3.894 20 0 GHADLP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CC[N@H+](C4CC4)[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000638460567 910158048 /nfs/dbraw/zinc/15/80/48/910158048.db2.gz ZBLWWMZUIVMHCW-RCZVLFRGSA-N 3 2 396.623 3.503 20 0 GHADLP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CC[N@@H+](C4CC4)[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000638460567 910158056 /nfs/dbraw/zinc/15/80/56/910158056.db2.gz ZBLWWMZUIVMHCW-RCZVLFRGSA-N 3 2 396.623 3.503 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCCN1c1cccnc1 ZINC000639038589 910294707 /nfs/dbraw/zinc/29/47/07/910294707.db2.gz LQDLXZKRQPOTDE-PTUXOGIPSA-N 2 2 390.531 3.535 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCCN1c1cccnc1 ZINC000639038589 910294714 /nfs/dbraw/zinc/29/47/14/910294714.db2.gz LQDLXZKRQPOTDE-PTUXOGIPSA-N 2 2 390.531 3.535 20 0 GHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@H](C)C1 ZINC000270405172 910551931 /nfs/dbraw/zinc/55/19/31/910551931.db2.gz ZVBXMJAWKKJJOX-UTKZUKDTSA-N 2 2 393.535 3.796 20 0 GHADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@H](C)C1 ZINC000270405172 910551938 /nfs/dbraw/zinc/55/19/38/910551938.db2.gz ZVBXMJAWKKJJOX-UTKZUKDTSA-N 2 2 393.535 3.796 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000246871256 910718263 /nfs/dbraw/zinc/71/82/63/910718263.db2.gz DKYGHWNNULBCHZ-MAUKXSAKSA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000246871256 910718267 /nfs/dbraw/zinc/71/82/67/910718267.db2.gz DKYGHWNNULBCHZ-MAUKXSAKSA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000246871256 910718271 /nfs/dbraw/zinc/71/82/71/910718271.db2.gz DKYGHWNNULBCHZ-MAUKXSAKSA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000246871256 910718276 /nfs/dbraw/zinc/71/82/76/910718276.db2.gz DKYGHWNNULBCHZ-MAUKXSAKSA-N 2 2 394.350 3.934 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000271436532 910904847 /nfs/dbraw/zinc/90/48/47/910904847.db2.gz BQYKRGAVORAKGP-VQTJNVASSA-N 2 2 394.563 3.794 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccc(N2CCOCC2)c1 ZINC000271436527 910905393 /nfs/dbraw/zinc/90/53/93/910905393.db2.gz BQYKRGAVORAKGP-UXHICEINSA-N 2 2 394.563 3.794 20 0 GHADLP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC001181944432 911096068 /nfs/dbraw/zinc/09/60/68/911096068.db2.gz DMCNOWSLCPVROW-RBUKOAKNSA-N 2 2 383.374 3.597 20 0 GHADLP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC001181944432 911096088 /nfs/dbraw/zinc/09/60/88/911096088.db2.gz DMCNOWSLCPVROW-RBUKOAKNSA-N 2 2 383.374 3.597 20 0 GHADLP COc1ccc([C@H](C)[N@H+](C)CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000641979464 911641984 /nfs/dbraw/zinc/64/19/84/911641984.db2.gz KVFPMHZXNGHRPM-VQTJNVASSA-N 2 2 395.547 3.593 20 0 GHADLP COc1ccc([C@H](C)[N@@H+](C)CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000641979464 911641988 /nfs/dbraw/zinc/64/19/88/911641988.db2.gz KVFPMHZXNGHRPM-VQTJNVASSA-N 2 2 395.547 3.593 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC(C)(C)[NH+]3CCCCC3)n2)C1 ZINC000642438411 912075429 /nfs/dbraw/zinc/07/54/29/912075429.db2.gz FSBRNIQXOKUDFT-MRXNPFEDSA-N 2 2 393.601 3.761 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC(C)(C)[NH+]3CCCCC3)n2)C1 ZINC000642438411 912075443 /nfs/dbraw/zinc/07/54/43/912075443.db2.gz FSBRNIQXOKUDFT-MRXNPFEDSA-N 2 2 393.601 3.761 20 0 GHADLP Cc1[nH+]c2c(Br)cc(C)cn2c1Nc1cnn(CCC[NH+](C)C)c1 ZINC001186967722 914924356 /nfs/dbraw/zinc/92/43/56/914924356.db2.gz CHZUOTRWWRYRSI-UHFFFAOYSA-N 2 2 391.317 3.605 20 0 GHADLP Cc1ccccc1-n1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cn1 ZINC000647196003 915078645 /nfs/dbraw/zinc/07/86/45/915078645.db2.gz LWSAJKYZVAVGFK-LJQANCHMSA-N 2 2 375.520 3.891 20 0 GHADLP Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000647490421 915302384 /nfs/dbraw/zinc/30/23/84/915302384.db2.gz XAFUMEALBLRXPQ-KRWDZBQOSA-N 2 2 380.467 3.893 20 0 GHADLP Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000647490421 915302403 /nfs/dbraw/zinc/30/24/03/915302403.db2.gz XAFUMEALBLRXPQ-KRWDZBQOSA-N 2 2 380.467 3.893 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647900569 915430752 /nfs/dbraw/zinc/43/07/52/915430752.db2.gz DCWDLUGZAIVNFW-WWNPGLIZSA-N 2 2 399.579 3.603 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647900569 915430762 /nfs/dbraw/zinc/43/07/62/915430762.db2.gz DCWDLUGZAIVNFW-WWNPGLIZSA-N 2 2 399.579 3.603 20 0 GHADLP CN(C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648310910 915610969 /nfs/dbraw/zinc/61/09/69/915610969.db2.gz ZPDANFYCRWVSTC-DNVJHFABSA-N 2 2 383.580 3.587 20 0 GHADLP CN(C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648310910 915610977 /nfs/dbraw/zinc/61/09/77/915610977.db2.gz ZPDANFYCRWVSTC-DNVJHFABSA-N 2 2 383.580 3.587 20 0 GHADLP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1-n1cc[nH+]c1 ZINC001190107657 917101614 /nfs/dbraw/zinc/10/16/14/917101614.db2.gz UBEFQIIITLIRHV-MZADTFQBSA-N 2 2 386.499 3.798 20 0 GHADLP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1-n1cc[nH+]c1 ZINC001190107657 917101622 /nfs/dbraw/zinc/10/16/22/917101622.db2.gz UBEFQIIITLIRHV-MZADTFQBSA-N 2 2 386.499 3.798 20 0 GHADLP O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001190367422 917306171 /nfs/dbraw/zinc/30/61/71/917306171.db2.gz ZADSVAJYFQJGPK-SFHVURJKSA-N 2 2 387.351 3.683 20 0 GHADLP O=c1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c2ccc(O)cc2o1 ZINC000796443747 917321461 /nfs/dbraw/zinc/32/14/61/917321461.db2.gz LIUDRNXGUUYKTH-XMMPIXPASA-N 2 2 390.483 3.597 20 0 GHADLP O=c1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c2ccc(O)cc2o1 ZINC000796443747 917321465 /nfs/dbraw/zinc/32/14/65/917321465.db2.gz LIUDRNXGUUYKTH-XMMPIXPASA-N 2 2 390.483 3.597 20 0 GHADLP O=c1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c2ccc(O)cc2o1 ZINC000796443747 917321471 /nfs/dbraw/zinc/32/14/71/917321471.db2.gz LIUDRNXGUUYKTH-XMMPIXPASA-N 2 2 390.483 3.597 20 0 GHADLP O=c1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c2ccc(O)cc2o1 ZINC000796443747 917321483 /nfs/dbraw/zinc/32/14/83/917321483.db2.gz LIUDRNXGUUYKTH-XMMPIXPASA-N 2 2 390.483 3.597 20 0 GHADLP CC[N@H+](CCC[NH2+]Cc1c(C)n(C)n(-c2ccccc2)c1=O)C1CCCCC1 ZINC000651909284 917734836 /nfs/dbraw/zinc/73/48/36/917734836.db2.gz DQVLMNYOMBSDDS-UHFFFAOYSA-N 2 2 384.568 3.619 20 0 GHADLP CC[N@@H+](CCC[NH2+]Cc1c(C)n(C)n(-c2ccccc2)c1=O)C1CCCCC1 ZINC000651909284 917734846 /nfs/dbraw/zinc/73/48/46/917734846.db2.gz DQVLMNYOMBSDDS-UHFFFAOYSA-N 2 2 384.568 3.619 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)[C@@H]1CC[NH3+] ZINC000652354590 917878973 /nfs/dbraw/zinc/87/89/73/917878973.db2.gz CMWAFZFHLIJWHG-ZYHUDNBSSA-N 2 2 385.331 3.510 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)[C@@H]1CC[NH3+] ZINC000652354590 917878980 /nfs/dbraw/zinc/87/89/80/917878980.db2.gz CMWAFZFHLIJWHG-ZYHUDNBSSA-N 2 2 385.331 3.510 20 0 GHADLP C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000297428810 919325779 /nfs/dbraw/zinc/32/57/79/919325779.db2.gz ZMLONQTWYSWAJS-SELNLUPBSA-N 2 2 398.595 3.521 20 0 GHADLP Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)C2=O)cc1 ZINC000800406512 920040040 /nfs/dbraw/zinc/04/00/40/920040040.db2.gz ZGZSVSRGCHCCQG-NQIIRXRSSA-N 2 2 378.520 3.513 20 0 GHADLP Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)C2=O)cc1 ZINC000800406512 920040054 /nfs/dbraw/zinc/04/00/54/920040054.db2.gz ZGZSVSRGCHCCQG-NQIIRXRSSA-N 2 2 378.520 3.513 20 0 GHADLP CN(C)c1ncnc(Cl)c1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000801524969 921095536 /nfs/dbraw/zinc/09/55/36/921095536.db2.gz CKFLRKQPVVFDRY-UHFFFAOYSA-N 2 2 399.970 3.684 20 0 GHADLP CN(C)c1ncnc(Cl)c1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000801524969 921095547 /nfs/dbraw/zinc/09/55/47/921095547.db2.gz CKFLRKQPVVFDRY-UHFFFAOYSA-N 2 2 399.970 3.684 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000367132522 921938137 /nfs/dbraw/zinc/93/81/37/921938137.db2.gz CMCZLDKTGJGLJX-LBPRGKRZSA-N 2 2 375.270 3.703 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000367132522 921938149 /nfs/dbraw/zinc/93/81/49/921938149.db2.gz CMCZLDKTGJGLJX-LBPRGKRZSA-N 2 2 375.270 3.703 20 0 GHADLP C[C@@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902989963 922689349 /nfs/dbraw/zinc/68/93/49/922689349.db2.gz PKQAFVRIJOHFNW-QZTJIDSGSA-N 2 2 378.476 3.533 20 0 GHADLP C[C@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903037287 922720643 /nfs/dbraw/zinc/72/06/43/922720643.db2.gz HKKUPUQCTKGWII-KRWDZBQOSA-N 2 2 385.508 3.661 20 0 GHADLP COc1ccc(F)cc1-c1cncc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000903769823 923271204 /nfs/dbraw/zinc/27/12/04/923271204.db2.gz OVQDBOWOHFGWNZ-MAUKXSAKSA-N 2 2 397.416 3.855 20 0 GHADLP COc1ccc(F)cc1-c1cncc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000903769823 923271209 /nfs/dbraw/zinc/27/12/09/923271209.db2.gz OVQDBOWOHFGWNZ-MAUKXSAKSA-N 2 2 397.416 3.855 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(C)c1 ZINC000676755280 924062778 /nfs/dbraw/zinc/06/27/78/924062778.db2.gz JDGHGGDPRXQMSE-IFMALSPDSA-N 2 2 395.551 3.511 20 0 GHADLP C[C@H]1C[C@@H](CCNC(=O)Nc2ccc3[nH+]ccn3c2)C[N@@H+]1Cc1ccccc1 ZINC000677078642 924229926 /nfs/dbraw/zinc/22/99/26/924229926.db2.gz SERGLEGRDPUNHE-PKOBYXMFSA-N 2 2 377.492 3.757 20 0 GHADLP C[C@H]1C[C@@H](CCNC(=O)Nc2ccc3[nH+]ccn3c2)C[N@H+]1Cc1ccccc1 ZINC000677078642 924229940 /nfs/dbraw/zinc/22/99/40/924229940.db2.gz SERGLEGRDPUNHE-PKOBYXMFSA-N 2 2 377.492 3.757 20 0 GHADLP CC[C@]1(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[NH2+]C1 ZINC000370843602 924324533 /nfs/dbraw/zinc/32/45/33/924324533.db2.gz PXRUMJGUDWIUEZ-DEOSSOPVSA-N 2 2 388.515 3.604 20 0 GHADLP Cc1ccc2ncc(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)n2c1 ZINC001137308903 924460879 /nfs/dbraw/zinc/46/08/79/924460879.db2.gz LZLXYKOXQHMITP-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccc2ncc(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)n2c1 ZINC001137308903 924460881 /nfs/dbraw/zinc/46/08/81/924460881.db2.gz LZLXYKOXQHMITP-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccc2ncc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)n2c1 ZINC001137308903 924460883 /nfs/dbraw/zinc/46/08/83/924460883.db2.gz LZLXYKOXQHMITP-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccc2ncc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)n2c1 ZINC001137308903 924460886 /nfs/dbraw/zinc/46/08/86/924460886.db2.gz LZLXYKOXQHMITP-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP CC(C)c1ccc2c(c1)[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CCC2 ZINC000677808184 924506589 /nfs/dbraw/zinc/50/65/89/924506589.db2.gz AHOWNVHIBSTBLB-OFNKIYASSA-N 2 2 398.595 3.655 20 0 GHADLP CC(C)c1ccc2c(c1)[C@@H](NC(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CCC2 ZINC000677808184 924506595 /nfs/dbraw/zinc/50/65/95/924506595.db2.gz AHOWNVHIBSTBLB-OFNKIYASSA-N 2 2 398.595 3.655 20 0 GHADLP CC(C)c1ccc(/C=C/CC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677924781 924549549 /nfs/dbraw/zinc/54/95/49/924549549.db2.gz JUVRRMIZZZRTQS-NFOSPISASA-N 2 2 383.580 3.840 20 0 GHADLP CC(C)c1ccc(/C=C/CC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677924781 924549554 /nfs/dbraw/zinc/54/95/54/924549554.db2.gz JUVRRMIZZZRTQS-NFOSPISASA-N 2 2 383.580 3.840 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3[nH]nc4ccccc43)C[C@H]21 ZINC001137348554 924903897 /nfs/dbraw/zinc/90/38/97/924903897.db2.gz BQQTWDLUWINHII-HCLVMJGWSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3[nH]nc4ccccc43)C[C@H]21 ZINC001137348554 924903906 /nfs/dbraw/zinc/90/39/06/924903906.db2.gz BQQTWDLUWINHII-HCLVMJGWSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3[nH]nc4ccccc43)C[C@@H]21 ZINC001137348555 924904325 /nfs/dbraw/zinc/90/43/25/924904325.db2.gz BQQTWDLUWINHII-KPDCDPCYSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3[nH]nc4ccccc43)C[C@@H]21 ZINC001137348555 924904328 /nfs/dbraw/zinc/90/43/28/924904328.db2.gz BQQTWDLUWINHII-KPDCDPCYSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](Cc2ccc(-n3ccnn3)cc2)CC1 ZINC001137369213 925087368 /nfs/dbraw/zinc/08/73/68/925087368.db2.gz IBHXPDPUEJBWBD-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](Cc2ccc(-n3ccnn3)cc2)CC1 ZINC001137369213 925087375 /nfs/dbraw/zinc/08/73/75/925087375.db2.gz IBHXPDPUEJBWBD-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)NCc1ccc(C)[nH+]c1N1CCCC1)c1ccccc1 ZINC000679664479 925214060 /nfs/dbraw/zinc/21/40/60/925214060.db2.gz QVAIMOWKQXWQIK-OAQYLSRUSA-N 2 2 380.536 3.690 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC000372430081 925418727 /nfs/dbraw/zinc/41/87/27/925418727.db2.gz YROXLKIXEUSIPT-IBGZPJMESA-N 2 2 380.536 3.550 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(C[NH+]3CCCC3)cc1)CC2 ZINC000372430081 925418738 /nfs/dbraw/zinc/41/87/38/925418738.db2.gz YROXLKIXEUSIPT-IBGZPJMESA-N 2 2 380.536 3.550 20 0 GHADLP CC[N@H+](Cc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2)C1CC[NH+](C)CC1 ZINC001137445541 925824717 /nfs/dbraw/zinc/82/47/17/925824717.db2.gz KSUJREDLPQLXJW-UHFFFAOYSA-N 2 2 387.568 3.896 20 0 GHADLP CC[N@@H+](Cc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2)C1CC[NH+](C)CC1 ZINC001137445541 925824725 /nfs/dbraw/zinc/82/47/25/925824725.db2.gz KSUJREDLPQLXJW-UHFFFAOYSA-N 2 2 387.568 3.896 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CCC2 ZINC000373209052 925935094 /nfs/dbraw/zinc/93/50/94/925935094.db2.gz VIPXUXZUWMFNNZ-BXXSPATCSA-N 2 2 394.563 3.692 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CCC2 ZINC000373209052 925935098 /nfs/dbraw/zinc/93/50/98/925935098.db2.gz VIPXUXZUWMFNNZ-BXXSPATCSA-N 2 2 394.563 3.692 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)s1 ZINC000373472703 926167097 /nfs/dbraw/zinc/16/70/97/926167097.db2.gz FVBNKXDNQJHHKJ-MAUKXSAKSA-N 2 2 384.611 3.674 20 0 GHADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373497451 926194695 /nfs/dbraw/zinc/19/46/95/926194695.db2.gz SYAOKIZANPXKBL-RWBZWWBESA-N 2 2 383.458 3.799 20 0 GHADLP COc1ccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3C)CCOCC2)cc1 ZINC000683015207 926326710 /nfs/dbraw/zinc/32/67/10/926326710.db2.gz BMBVFFJQHJPHBQ-UHFFFAOYSA-N 2 2 377.488 3.985 20 0 GHADLP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374308085 927004783 /nfs/dbraw/zinc/00/47/83/927004783.db2.gz VHELQNDFGKPXBR-RBUKOAKNSA-N 2 2 384.568 3.580 20 0 GHADLP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374308085 927004799 /nfs/dbraw/zinc/00/47/99/927004799.db2.gz VHELQNDFGKPXBR-RBUKOAKNSA-N 2 2 384.568 3.580 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccnc1Cl ZINC000374530461 927251152 /nfs/dbraw/zinc/25/11/52/927251152.db2.gz MHDJNDGCLWHUPN-GOSISDBHSA-N 2 2 386.927 3.564 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccnc1Cl ZINC000374530461 927251162 /nfs/dbraw/zinc/25/11/62/927251162.db2.gz MHDJNDGCLWHUPN-GOSISDBHSA-N 2 2 386.927 3.564 20 0 GHADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000374917924 927697541 /nfs/dbraw/zinc/69/75/41/927697541.db2.gz RGSOBRGJKLJBGS-LJQANCHMSA-N 2 2 383.540 3.547 20 0 GHADLP Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)n1Cc1ccccc1 ZINC000751034066 927992871 /nfs/dbraw/zinc/99/28/71/927992871.db2.gz XGPUIMSANDHVNG-OAQYLSRUSA-N 2 2 376.504 3.870 20 0 GHADLP Cc1cc(C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)n1Cc1ccccc1 ZINC000751034066 927992875 /nfs/dbraw/zinc/99/28/75/927992875.db2.gz XGPUIMSANDHVNG-OAQYLSRUSA-N 2 2 376.504 3.870 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000375266798 928104683 /nfs/dbraw/zinc/10/46/83/928104683.db2.gz RDUJPTFNPRDVMX-KRWDZBQOSA-N 2 2 382.552 3.796 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000375266798 928104692 /nfs/dbraw/zinc/10/46/92/928104692.db2.gz RDUJPTFNPRDVMX-KRWDZBQOSA-N 2 2 382.552 3.796 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2ccc(-c3cccs3)o2)([NH+]2CCCCC2)CC1 ZINC000544001664 928670748 /nfs/dbraw/zinc/67/07/48/928670748.db2.gz BXJMUJIKFCJXLB-UHFFFAOYSA-N 2 2 387.549 3.688 20 0 GHADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000467314185 928947929 /nfs/dbraw/zinc/94/79/29/928947929.db2.gz TWKMEZIOUSBGJZ-KKSFZXQISA-N 2 2 392.465 3.645 20 0 GHADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000467314185 928947943 /nfs/dbraw/zinc/94/79/43/928947943.db2.gz TWKMEZIOUSBGJZ-KKSFZXQISA-N 2 2 392.465 3.645 20 0 GHADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C2(CCCCC2)C1 ZINC000544223826 928951530 /nfs/dbraw/zinc/95/15/30/928951530.db2.gz SMOHJPLDDDOLCO-HXUWFJFHSA-N 2 2 398.595 3.970 20 0 GHADLP C[N@H+]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C2(CCCCC2)C1 ZINC000544223826 928951532 /nfs/dbraw/zinc/95/15/32/928951532.db2.gz SMOHJPLDDDOLCO-HXUWFJFHSA-N 2 2 398.595 3.970 20 0 GHADLP C[NH+](C)CCN(C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CCCC1 ZINC000544229998 928957347 /nfs/dbraw/zinc/95/73/47/928957347.db2.gz OGTDDZAJJMLMKM-LJQANCHMSA-N 2 2 386.584 3.826 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H](c3ccc(F)cc3)c3ccccn3)[nH+]c2)C1 ZINC000544384216 929113711 /nfs/dbraw/zinc/11/37/11/929113711.db2.gz HVUDRBWKPCJGEU-NZQKXSOJSA-N 2 2 391.494 3.958 20 0 GHADLP COc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3Br)CC2)cc1 ZINC000547361650 930952966 /nfs/dbraw/zinc/95/29/66/930952966.db2.gz GWIAGSFVEDCXDI-UHFFFAOYSA-N 2 2 376.298 3.565 20 0 GHADLP COc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3Br)CC2)cc1 ZINC000547361650 930952970 /nfs/dbraw/zinc/95/29/70/930952970.db2.gz GWIAGSFVEDCXDI-UHFFFAOYSA-N 2 2 376.298 3.565 20 0 GHADLP CC(C)c1nc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cs1 ZINC000547399754 930982044 /nfs/dbraw/zinc/98/20/44/930982044.db2.gz SOILZQHIQODGPR-RDJZCZTQSA-N 2 2 378.611 3.967 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cn2c(n1)CCCC2 ZINC000924611631 931444992 /nfs/dbraw/zinc/44/49/92/931444992.db2.gz ZFBUMRCAVZHXHE-GUDVDZBRSA-N 2 2 382.552 3.679 20 0 GHADLP CC[NH+]1CCN(CCCC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000924663093 931466905 /nfs/dbraw/zinc/46/69/05/931466905.db2.gz YCYYNSNBARDUEC-QILAJZQNSA-N 3 2 398.639 3.579 20 0 GHADLP CC[NH+]1CCN(CCCC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000924663093 931466910 /nfs/dbraw/zinc/46/69/10/931466910.db2.gz YCYYNSNBARDUEC-QILAJZQNSA-N 3 2 398.639 3.579 20 0 GHADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000925557863 931822221 /nfs/dbraw/zinc/82/22/21/931822221.db2.gz QBPGSJMMLDEIDY-POEKJWFMSA-N 3 2 397.607 3.540 20 0 GHADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000925557863 931822226 /nfs/dbraw/zinc/82/22/26/931822226.db2.gz QBPGSJMMLDEIDY-POEKJWFMSA-N 3 2 397.607 3.540 20 0 GHADLP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c2cccnc2)cc1 ZINC000925558491 931822494 /nfs/dbraw/zinc/82/24/94/931822494.db2.gz FQUGEBBWKZPMPG-SGNDLWITSA-N 2 2 379.548 3.837 20 0 GHADLP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)n(C)n1 ZINC000925592648 931834072 /nfs/dbraw/zinc/83/40/72/931834072.db2.gz YEVKAGQMPKXLKC-GREBRCKQSA-N 2 2 381.568 3.650 20 0 GHADLP Cc1cc(Sc2ccccc2)ccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000925978783 931985951 /nfs/dbraw/zinc/98/59/51/931985951.db2.gz NYKIFPXCRWRHAR-UHFFFAOYSA-N 2 2 384.549 3.691 20 0 GHADLP Brc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccnc2)cc1 ZINC000926230085 932091234 /nfs/dbraw/zinc/09/12/34/932091234.db2.gz QVPRQBRQZJQVDH-PKOBYXMFSA-N 2 2 383.293 3.735 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000559313078 932592741 /nfs/dbraw/zinc/59/27/41/932592741.db2.gz ZZBCATUNWOPASH-GLDPYIMESA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000559313078 932592746 /nfs/dbraw/zinc/59/27/46/932592746.db2.gz ZZBCATUNWOPASH-GLDPYIMESA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000559313078 932592750 /nfs/dbraw/zinc/59/27/50/932592750.db2.gz ZZBCATUNWOPASH-GLDPYIMESA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000559313078 932592755 /nfs/dbraw/zinc/59/27/55/932592755.db2.gz ZZBCATUNWOPASH-GLDPYIMESA-N 2 2 379.548 3.823 20 0 GHADLP CC(C)(C)n1ncnc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000560535666 933320689 /nfs/dbraw/zinc/32/06/89/933320689.db2.gz IATKCMKMZHCHJZ-NJDAHSKKSA-N 2 2 381.568 3.814 20 0 GHADLP CC(C)(C)n1ncnc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000560535666 933320702 /nfs/dbraw/zinc/32/07/02/933320702.db2.gz IATKCMKMZHCHJZ-NJDAHSKKSA-N 2 2 381.568 3.814 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC001116517379 933606062 /nfs/dbraw/zinc/60/60/62/933606062.db2.gz SFCSJLCKIPTNHH-QGZVFWFLSA-N 2 2 383.927 3.773 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC001116517379 933606066 /nfs/dbraw/zinc/60/60/66/933606066.db2.gz SFCSJLCKIPTNHH-QGZVFWFLSA-N 2 2 383.927 3.773 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+]2CCCC2)o1 ZINC000561215168 933965366 /nfs/dbraw/zinc/96/53/66/933965366.db2.gz AJPQOQVSWNZSOD-VQTJNVASSA-N 2 2 392.503 3.786 20 0 GHADLP CCc1ccc([C@H](C[NH2+]C2CCN(c3cnccn3)CC2)[NH+](CC)CC)cc1 ZINC000561279003 934013756 /nfs/dbraw/zinc/01/37/56/934013756.db2.gz XCVACSTUBAISPO-QFIPXVFZSA-N 2 2 381.568 3.681 20 0 GHADLP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000561383597 934102178 /nfs/dbraw/zinc/10/21/78/934102178.db2.gz RIBBSMSPVYWWGB-KRWDZBQOSA-N 2 2 381.524 3.844 20 0 GHADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000561383597 934102186 /nfs/dbraw/zinc/10/21/86/934102186.db2.gz RIBBSMSPVYWWGB-KRWDZBQOSA-N 2 2 381.524 3.844 20 0 GHADLP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000562206056 934758723 /nfs/dbraw/zinc/75/87/23/934758723.db2.gz LEVZQENIZYEQAE-XLEPWJDSSA-N 2 2 393.522 3.793 20 0 GHADLP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000562206056 934758724 /nfs/dbraw/zinc/75/87/24/934758724.db2.gz LEVZQENIZYEQAE-XLEPWJDSSA-N 2 2 393.522 3.793 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001124610570 935426745 /nfs/dbraw/zinc/42/67/45/935426745.db2.gz WIPSCAGILMRGAR-XMMPIXPASA-N 2 2 391.559 3.694 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001124610570 935426754 /nfs/dbraw/zinc/42/67/54/935426754.db2.gz WIPSCAGILMRGAR-XMMPIXPASA-N 2 2 391.559 3.694 20 0 GHADLP C[C@@H]1CN(C(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@@H](C)C[N@@H+]1C ZINC001137611056 935626202 /nfs/dbraw/zinc/62/62/02/935626202.db2.gz NQAZZXYKVNGYIV-QTEQDKRBSA-N 2 2 397.538 3.578 20 0 GHADLP C[C@@H]1CN(C(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@@H](C)C[N@H+]1C ZINC001137611056 935626204 /nfs/dbraw/zinc/62/62/04/935626204.db2.gz NQAZZXYKVNGYIV-QTEQDKRBSA-N 2 2 397.538 3.578 20 0 GHADLP Fc1ccc(F)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c1F ZINC001137929595 935875851 /nfs/dbraw/zinc/87/58/51/935875851.db2.gz VXJJXEAJCULXQL-UHFFFAOYSA-N 2 2 390.449 3.971 20 0 GHADLP Fc1ccc(F)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1F ZINC001137929595 935875854 /nfs/dbraw/zinc/87/58/54/935875854.db2.gz VXJJXEAJCULXQL-UHFFFAOYSA-N 2 2 390.449 3.971 20 0 GHADLP O=C(NCCCNc1cccc[nH+]1)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001220753513 1032101359 /nfs/dbraw/zinc/10/13/59/1032101359.db2.gz KZDUWMLHBRGWRT-NRFANRHFSA-N 2 2 395.551 3.628 20 0 GHADLP O=C(NCCCNc1cccc[nH+]1)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001220753513 1032101369 /nfs/dbraw/zinc/10/13/69/1032101369.db2.gz KZDUWMLHBRGWRT-NRFANRHFSA-N 2 2 395.551 3.628 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)Cc2cccc(Cl)c2)CC1 ZINC000545209148 1015655465 /nfs/dbraw/zinc/65/54/65/1015655465.db2.gz BZXNTFFGINCVHC-UHFFFAOYSA-N 2 2 380.960 3.916 20 0 GHADLP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000468658597 1015879335 /nfs/dbraw/zinc/87/93/35/1015879335.db2.gz ILEAVAUEKUDIBA-NRFANRHFSA-N 2 2 385.556 3.615 20 0 GHADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000468853345 1016115650 /nfs/dbraw/zinc/11/56/50/1016115650.db2.gz DYWQPJCCKCKPLK-GJZGRUSLSA-N 2 2 398.378 3.947 20 0 GHADLP CCCN(CCC[NH+](C)C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000469042214 1016364223 /nfs/dbraw/zinc/36/42/23/1016364223.db2.gz SEOMEFHBDTWESV-INIZCTEOSA-N 2 2 381.590 3.571 20 0 GHADLP CCCN(CCC[NH+](C)C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000469042214 1016364234 /nfs/dbraw/zinc/36/42/34/1016364234.db2.gz SEOMEFHBDTWESV-INIZCTEOSA-N 2 2 381.590 3.571 20 0 GHADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)C1 ZINC000545866196 1016544911 /nfs/dbraw/zinc/54/49/11/1016544911.db2.gz SDIWUJWGMXNAGT-AZUAARDMSA-N 2 2 396.865 3.687 20 0 GHADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)C1 ZINC000545866196 1016544924 /nfs/dbraw/zinc/54/49/24/1016544924.db2.gz SDIWUJWGMXNAGT-AZUAARDMSA-N 2 2 396.865 3.687 20 0 GHADLP CCCC(=O)[C@@H](CCC)Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C ZINC001227161602 1032300680 /nfs/dbraw/zinc/30/06/80/1032300680.db2.gz SCSUHFHSDSTSMI-JOCHJYFZSA-N 3 2 391.600 3.788 20 0 GHADLP CCCC(=O)[C@@H](CCC)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1C[NH+](C)C ZINC001227161602 1032300692 /nfs/dbraw/zinc/30/06/92/1032300692.db2.gz SCSUHFHSDSTSMI-JOCHJYFZSA-N 2 2 391.600 3.788 20 0 GHADLP O=C(N[C@H](CC1CC[NH2+]CC1)c1ccccc1F)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001221205042 1032329250 /nfs/dbraw/zinc/32/92/50/1032329250.db2.gz ORKCDYQNFHURHW-DHIUTWEWSA-N 2 2 395.522 3.647 20 0 GHADLP O=C(N[C@H](CC1CC[NH2+]CC1)c1ccccc1F)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001221205042 1032329258 /nfs/dbraw/zinc/32/92/58/1032329258.db2.gz ORKCDYQNFHURHW-DHIUTWEWSA-N 2 2 395.522 3.647 20 0 GHADLP c1[nH+]cn(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1C1CC[NH2+]CC1 ZINC001155057393 1032397831 /nfs/dbraw/zinc/39/78/31/1032397831.db2.gz GOFBHSKQMSSGIP-UHFFFAOYSA-N 2 2 382.471 3.858 20 0 GHADLP c1ccc(C[N@@H+]2CCc3ncnc(N[C@@H]4CC[NH2+][C@H]4c4ccccc4)c3C2)cc1 ZINC001155548943 1032576542 /nfs/dbraw/zinc/57/65/42/1032576542.db2.gz IUDDFHFVOBNHHM-PKTZIBPZSA-N 2 2 385.515 3.550 20 0 GHADLP c1ccc(C[N@H+]2CCc3ncnc(N[C@@H]4CC[NH2+][C@H]4c4ccccc4)c3C2)cc1 ZINC001155548943 1032576550 /nfs/dbraw/zinc/57/65/50/1032576550.db2.gz IUDDFHFVOBNHHM-PKTZIBPZSA-N 2 2 385.515 3.550 20 0 GHADLP Cc1cccc([C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2ccccn2)c1 ZINC000925652896 1017127683 /nfs/dbraw/zinc/12/76/83/1017127683.db2.gz IBUQRXJBSZQZGD-QHCPKHFHSA-N 2 2 376.504 3.605 20 0 GHADLP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000558886386 1017310514 /nfs/dbraw/zinc/31/05/14/1017310514.db2.gz YEODCSPQPHCHKV-UHFFFAOYSA-N 2 2 397.950 3.724 20 0 GHADLP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000558886386 1017310527 /nfs/dbraw/zinc/31/05/27/1017310527.db2.gz YEODCSPQPHCHKV-UHFFFAOYSA-N 2 2 397.950 3.724 20 0 GHADLP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(F)cc1Br ZINC000562895338 1018765924 /nfs/dbraw/zinc/76/59/24/1018765924.db2.gz YJQJONOGLYSJGB-ZDUSSCGKSA-N 2 2 396.304 3.774 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CC[NH+](C)[C@@H](c4ccccc4)C3)c2)CCO1 ZINC000564230721 1019035420 /nfs/dbraw/zinc/03/54/20/1019035420.db2.gz GZVJXLFCMUMQNI-DCEDVJGZSA-N 3 2 393.575 3.832 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CC[NH+](C)[C@@H](c4ccccc4)C3)c2)CCO1 ZINC000564230721 1019035436 /nfs/dbraw/zinc/03/54/36/1019035436.db2.gz GZVJXLFCMUMQNI-DCEDVJGZSA-N 3 2 393.575 3.832 20 0 GHADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)c2)CCO1 ZINC000564230721 1019035451 /nfs/dbraw/zinc/03/54/51/1019035451.db2.gz GZVJXLFCMUMQNI-DCEDVJGZSA-N 3 2 393.575 3.832 20 0 GHADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)c2)CCO1 ZINC000564230721 1019035466 /nfs/dbraw/zinc/03/54/66/1019035466.db2.gz GZVJXLFCMUMQNI-DCEDVJGZSA-N 3 2 393.575 3.832 20 0 GHADLP Cc1ccc(CC[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1C ZINC001204423126 1032853452 /nfs/dbraw/zinc/85/34/52/1032853452.db2.gz WAMMNAOLPPFXMH-DEOSSOPVSA-N 2 2 392.591 3.775 20 0 GHADLP Cc1ccc(CC[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1C ZINC001204423126 1032853470 /nfs/dbraw/zinc/85/34/70/1032853470.db2.gz WAMMNAOLPPFXMH-DEOSSOPVSA-N 2 2 392.591 3.775 20 0 GHADLP Fc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c(Cl)c1 ZINC001204437081 1032873829 /nfs/dbraw/zinc/87/38/29/1032873829.db2.gz HQFRLAYZLWEASE-UHFFFAOYSA-N 2 2 376.907 3.720 20 0 GHADLP Fc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c(Cl)c1 ZINC001204437081 1032873850 /nfs/dbraw/zinc/87/38/50/1032873850.db2.gz HQFRLAYZLWEASE-UHFFFAOYSA-N 2 2 376.907 3.720 20 0 GHADLP CCCOc1ccc(C[N@H+](Cc2nccn2CC)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000578070523 1020316139 /nfs/dbraw/zinc/31/61/39/1020316139.db2.gz WKXOHCLAPHSZNN-NRFANRHFSA-N 2 2 382.552 3.836 20 0 GHADLP CCCOc1ccc(C[N@@H+](Cc2nccn2CC)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000578070523 1020316156 /nfs/dbraw/zinc/31/61/56/1020316156.db2.gz WKXOHCLAPHSZNN-NRFANRHFSA-N 2 2 382.552 3.836 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(C(F)(F)F)cc4F)C[C@@H]3C2)cn1 ZINC001204465572 1032906067 /nfs/dbraw/zinc/90/60/67/1032906067.db2.gz IKHSSPFECVKUDO-WBVHZDCISA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(C(F)(F)F)cc4F)C[C@@H]3C2)cn1 ZINC001204465572 1032906075 /nfs/dbraw/zinc/90/60/75/1032906075.db2.gz IKHSSPFECVKUDO-WBVHZDCISA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(C(F)(F)F)cc4F)C[C@@H]3C2)cn1 ZINC001204465572 1032906087 /nfs/dbraw/zinc/90/60/87/1032906087.db2.gz IKHSSPFECVKUDO-WBVHZDCISA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(C(F)(F)F)cc4F)C[C@@H]3C2)cn1 ZINC001204465572 1032906094 /nfs/dbraw/zinc/90/60/94/1032906094.db2.gz IKHSSPFECVKUDO-WBVHZDCISA-N 2 2 396.432 3.532 20 0 GHADLP C[NH+](C)C1(CNc2nnc(-c3ccc(F)cc3)c3ccccc32)CC[NH+](C)CC1 ZINC001156184795 1032915511 /nfs/dbraw/zinc/91/55/11/1032915511.db2.gz CEIRPGXFROGGAZ-UHFFFAOYSA-N 2 2 393.510 3.874 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C(F)F)nc3)CC2)cc1 ZINC000631150252 1020866296 /nfs/dbraw/zinc/86/62/96/1020866296.db2.gz CEKAQIWFPKOGBI-UHFFFAOYSA-N 2 2 388.462 3.732 20 0 GHADLP CC[NH+](CC)CCCC1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635789386 1020989646 /nfs/dbraw/zinc/98/96/46/1020989646.db2.gz KATLSSVOWDYJQG-KRWDZBQOSA-N 2 2 388.478 3.737 20 0 GHADLP FC(F)Oc1ccc(Br)cc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815172 1021150936 /nfs/dbraw/zinc/15/09/36/1021150936.db2.gz SDRBBYAOBXSFRN-UHFFFAOYSA-N 2 2 375.257 3.767 20 0 GHADLP FC(F)Oc1ccc(Br)cc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815172 1021150938 /nfs/dbraw/zinc/15/09/38/1021150938.db2.gz SDRBBYAOBXSFRN-UHFFFAOYSA-N 2 2 375.257 3.767 20 0 GHADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834515056 1021237601 /nfs/dbraw/zinc/23/76/01/1021237601.db2.gz ZBRRSCVFEPETLV-RTBURBONSA-N 2 2 388.556 3.818 20 0 GHADLP CCOc1ccc2[nH]cc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)c2c1 ZINC001140269169 1021291894 /nfs/dbraw/zinc/29/18/94/1021291894.db2.gz MNYKPILBURZDOO-WOJBJXKFSA-N 2 2 376.504 3.525 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801572851 1021413590 /nfs/dbraw/zinc/41/35/90/1021413590.db2.gz LWNUQXIHWAHSJG-JOCHJYFZSA-N 2 2 384.524 3.917 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801572851 1021413613 /nfs/dbraw/zinc/41/36/13/1021413613.db2.gz LWNUQXIHWAHSJG-JOCHJYFZSA-N 2 2 384.524 3.917 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000834774493 1021461101 /nfs/dbraw/zinc/46/11/01/1021461101.db2.gz PRYRSRDKRXXCCZ-ZJOUEHCJSA-N 2 2 396.535 3.928 20 0 GHADLP Fc1ccccc1-c1ncc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC001140400882 1021569948 /nfs/dbraw/zinc/56/99/48/1021569948.db2.gz FDRIRWREMITZAE-ROUUACIJSA-N 2 2 394.519 3.908 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3cccc(OC)c3)no2)[C@H](C)C1 ZINC000903293078 1021589022 /nfs/dbraw/zinc/58/90/22/1021589022.db2.gz AHSQJMICLNXKNS-DYESRHJHSA-N 2 2 387.524 3.577 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3cccc(OC)c3)no2)[C@H](C)C1 ZINC000903293078 1021589030 /nfs/dbraw/zinc/58/90/30/1021589030.db2.gz AHSQJMICLNXKNS-DYESRHJHSA-N 2 2 387.524 3.577 20 0 GHADLP C[N@@H+]1CCCC[C@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC001204718784 1033044849 /nfs/dbraw/zinc/04/48/49/1033044849.db2.gz PZJGLCFHKUQPLW-QGZVFWFLSA-N 2 2 381.524 3.740 20 0 GHADLP C[N@H+]1CCCC[C@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC001204718784 1033044863 /nfs/dbraw/zinc/04/48/63/1033044863.db2.gz PZJGLCFHKUQPLW-QGZVFWFLSA-N 2 2 381.524 3.740 20 0 GHADLP CCCCC[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755054364 1023048418 /nfs/dbraw/zinc/04/84/18/1023048418.db2.gz SALHMTPQYCLOHA-TYPHKJRUSA-N 2 2 380.621 3.934 20 0 GHADLP CCCCC[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755054364 1023048436 /nfs/dbraw/zinc/04/84/36/1023048436.db2.gz SALHMTPQYCLOHA-TYPHKJRUSA-N 2 2 380.621 3.934 20 0 GHADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc(-c5ncccn5)c4)C[C@H]3C2)c1 ZINC001140978794 1023069876 /nfs/dbraw/zinc/06/98/76/1023069876.db2.gz REXHCZRNOIXEOZ-BGYRXZFFSA-N 2 2 376.529 3.769 20 0 GHADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4cccc(-c5ncccn5)c4)C[C@H]3C2)c1 ZINC001140978794 1023069887 /nfs/dbraw/zinc/06/98/87/1023069887.db2.gz REXHCZRNOIXEOZ-BGYRXZFFSA-N 2 2 376.529 3.769 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc(-c5ncccn5)c4)C[C@H]3C2)c1 ZINC001140978794 1023069905 /nfs/dbraw/zinc/06/99/05/1023069905.db2.gz REXHCZRNOIXEOZ-BGYRXZFFSA-N 2 2 376.529 3.769 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc(-c5ncccn5)c4)C[C@H]3C2)c1 ZINC001140978794 1023069918 /nfs/dbraw/zinc/06/99/18/1023069918.db2.gz REXHCZRNOIXEOZ-BGYRXZFFSA-N 2 2 376.529 3.769 20 0 GHADLP CCn1c(=S)n(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)nc1-c1ccccc1 ZINC000755780157 1023374048 /nfs/dbraw/zinc/37/40/48/1023374048.db2.gz NHYXYQJMJFWXIO-LJQANCHMSA-N 2 2 385.581 3.722 20 0 GHADLP CCn1c(=S)n(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)nc1-c1ccccc1 ZINC000755780157 1023374058 /nfs/dbraw/zinc/37/40/58/1023374058.db2.gz NHYXYQJMJFWXIO-LJQANCHMSA-N 2 2 385.581 3.722 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc4c3cnn4[C@@H]3CCCCO3)cc2)C1 ZINC001204896666 1033150916 /nfs/dbraw/zinc/15/09/16/1033150916.db2.gz FRNZJXUIRPBXJK-CVDCTZTESA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc4c3cnn4[C@@H]3CCCCO3)cc2)C1 ZINC001204896666 1033150930 /nfs/dbraw/zinc/15/09/30/1033150930.db2.gz FRNZJXUIRPBXJK-CVDCTZTESA-N 2 2 376.504 3.935 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc4ncccc4c2)CC3)cn1 ZINC001138109597 1024127923 /nfs/dbraw/zinc/12/79/23/1024127923.db2.gz RSFZLHSRVLKXMB-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccc4ncccc4c2)CC3)cn1 ZINC001138109597 1024127930 /nfs/dbraw/zinc/12/79/30/1024127930.db2.gz RSFZLHSRVLKXMB-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP FC(F)(F)c1ccc(C[NH+]2CCN(Cc3cc4c(s3)C[NH2+]CC4)CC2)cc1 ZINC001205026764 1033218459 /nfs/dbraw/zinc/21/84/59/1033218459.db2.gz YIJLNMOSLBCATI-UHFFFAOYSA-N 2 2 395.494 3.730 20 0 GHADLP c1ccc(N2CCCC2)c(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001138611783 1025103567 /nfs/dbraw/zinc/10/35/67/1025103567.db2.gz FLPVOBWIYAXZQU-LADGPHEKSA-N 2 2 383.580 3.610 20 0 GHADLP c1ccc(N2CCCC2)c(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001138611783 1025103576 /nfs/dbraw/zinc/10/35/76/1025103576.db2.gz FLPVOBWIYAXZQU-LADGPHEKSA-N 2 2 383.580 3.610 20 0 GHADLP c1ccc(N2CCCC2)c(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001138611783 1025103582 /nfs/dbraw/zinc/10/35/82/1025103582.db2.gz FLPVOBWIYAXZQU-LADGPHEKSA-N 2 2 383.580 3.610 20 0 GHADLP c1ccc(N2CCCC2)c(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001138611783 1025103590 /nfs/dbraw/zinc/10/35/90/1025103590.db2.gz FLPVOBWIYAXZQU-LADGPHEKSA-N 2 2 383.580 3.610 20 0 GHADLP CCN(CC)c1ncc(C[N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)s1 ZINC001138800412 1025386615 /nfs/dbraw/zinc/38/66/15/1025386615.db2.gz DVAADMMZFSDGKP-IYBDPMFKSA-N 2 2 376.595 3.615 20 0 GHADLP CCN(CC)c1ncc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)s1 ZINC001138800412 1025386627 /nfs/dbraw/zinc/38/66/27/1025386627.db2.gz DVAADMMZFSDGKP-IYBDPMFKSA-N 2 2 376.595 3.615 20 0 GHADLP CCN(CC)c1ncc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)s1 ZINC001138800412 1025386642 /nfs/dbraw/zinc/38/66/42/1025386642.db2.gz DVAADMMZFSDGKP-IYBDPMFKSA-N 2 2 376.595 3.615 20 0 GHADLP CCN(CC)c1ncc(C[NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)s1 ZINC001138800412 1025386653 /nfs/dbraw/zinc/38/66/53/1025386653.db2.gz DVAADMMZFSDGKP-IYBDPMFKSA-N 2 2 376.595 3.615 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc4occc4c3)CC2)C1 ZINC001138825984 1025434300 /nfs/dbraw/zinc/43/43/00/1025434300.db2.gz LHRGOIOGTBJFJC-LJQANCHMSA-N 2 2 399.535 3.996 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc4occc4c3)CC2)C1 ZINC001138825984 1025434312 /nfs/dbraw/zinc/43/43/12/1025434312.db2.gz LHRGOIOGTBJFJC-LJQANCHMSA-N 2 2 399.535 3.996 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001141558743 1025534870 /nfs/dbraw/zinc/53/48/70/1025534870.db2.gz WMBQZIDQHXJULO-NHCUHLMSSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001141558743 1025534881 /nfs/dbraw/zinc/53/48/81/1025534881.db2.gz WMBQZIDQHXJULO-NHCUHLMSSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+]1CCN(c2cccc(N[C@@H](CC3CC[NH2+]CC3)c3ccccc3F)[nH+]2)CC1 ZINC001162235437 1025684328 /nfs/dbraw/zinc/68/43/28/1025684328.db2.gz FWIVXUCBADEHOG-NRFANRHFSA-N 3 2 397.542 3.515 20 0 GHADLP C[C@@H]1CCCN(c2cc(NCCCP(CCC[NH3+])c3ccccc3)[nH+]cn2)C1 ZINC001162469314 1025759559 /nfs/dbraw/zinc/75/95/59/1025759559.db2.gz PNXUZBPTYYSPAZ-OJQMSQGESA-N 2 2 399.523 3.671 20 0 GHADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ccnc(-c4nccs4)n3)cc2)CC1 ZINC001162568009 1025799235 /nfs/dbraw/zinc/79/92/35/1025799235.db2.gz LVRGEKDTINYQKK-UHFFFAOYSA-N 2 2 394.548 3.544 20 0 GHADLP CC[NH+](CC)[C@H](C[NH2+]C1CCN(C(=O)OCC(C)C)CC1)Cc1ccccc1 ZINC001461030733 1069347812 /nfs/dbraw/zinc/34/78/12/1069347812.db2.gz RPIYMYYNPKPVKL-QFIPXVFZSA-N 2 2 389.584 3.786 20 0 GHADLP COc1ccccc1CC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001139055690 1025843624 /nfs/dbraw/zinc/84/36/24/1025843624.db2.gz SCCYJIOOEGIAGQ-UHFFFAOYSA-N 2 2 394.559 3.982 20 0 GHADLP C[N@H+](Cc1cccc(Br)c1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139055313 1025844640 /nfs/dbraw/zinc/84/46/40/1025844640.db2.gz NBLQKDCGTGPFSK-UHFFFAOYSA-N 2 2 389.337 3.913 20 0 GHADLP C[N@@H+](Cc1cccc(Br)c1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139055313 1025844664 /nfs/dbraw/zinc/84/46/64/1025844664.db2.gz NBLQKDCGTGPFSK-UHFFFAOYSA-N 2 2 389.337 3.913 20 0 GHADLP COc1cccc(C[C@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC001139059393 1025847869 /nfs/dbraw/zinc/84/78/69/1025847869.db2.gz AKRSYAIHGUHETL-XMMPIXPASA-N 2 2 394.559 3.982 20 0 GHADLP COc1cccc(C[C@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC001139059393 1025847885 /nfs/dbraw/zinc/84/78/85/1025847885.db2.gz AKRSYAIHGUHETL-XMMPIXPASA-N 2 2 394.559 3.982 20 0 GHADLP COc1ccc(C[C@@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC001139060278 1025851475 /nfs/dbraw/zinc/85/14/75/1025851475.db2.gz NYIUXEKYDDTHQJ-DEOSSOPVSA-N 2 2 394.559 3.982 20 0 GHADLP COc1ccc(C[C@@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC001139060278 1025851487 /nfs/dbraw/zinc/85/14/87/1025851487.db2.gz NYIUXEKYDDTHQJ-DEOSSOPVSA-N 2 2 394.559 3.982 20 0 GHADLP C[C@H]([NH3+])c1nc2ccccc2n1-c1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC001162764576 1025910252 /nfs/dbraw/zinc/91/02/52/1025910252.db2.gz YWDLGJSXPRYGJJ-HNNXBMFYSA-N 2 2 381.443 3.688 20 0 GHADLP CC(C)Oc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc[nH+]1 ZINC001162935599 1025973866 /nfs/dbraw/zinc/97/38/66/1025973866.db2.gz TVHXYDQAAIFDBW-OAQYLSRUSA-N 3 2 394.563 3.783 20 0 GHADLP CC(C)Oc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc[nH+]1 ZINC001162935599 1025973876 /nfs/dbraw/zinc/97/38/76/1025973876.db2.gz TVHXYDQAAIFDBW-OAQYLSRUSA-N 3 2 394.563 3.783 20 0 GHADLP FC(F)(F)Oc1ccc(-c2cc[nH+]c(NCC[C@H]3CCOC34C[NH2+]C4)c2)cc1 ZINC001163081341 1026036187 /nfs/dbraw/zinc/03/61/87/1026036187.db2.gz MZEBYBCVFPICMU-INIZCTEOSA-N 2 2 393.409 3.828 20 0 GHADLP FC(F)(NCc1ccc2[nH+]ccn2c1)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001163142614 1026064344 /nfs/dbraw/zinc/06/43/44/1026064344.db2.gz NEZOWVCWLATFCO-UHFFFAOYSA-N 2 2 389.837 3.599 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3cn(C)c4ccc(Br)cc34)CC2)cc[nH+]1 ZINC001139217376 1026070221 /nfs/dbraw/zinc/07/02/21/1026070221.db2.gz MMKFTFJOHIIIOK-UHFFFAOYSA-N 2 2 399.336 3.966 20 0 GHADLP C[N@H+](Cc1ccc(Br)cc1N1CCCCC1)C1CC[NH+](C)CC1 ZINC001139250798 1026100472 /nfs/dbraw/zinc/10/04/72/1026100472.db2.gz XSHYOQFMRMCTNI-UHFFFAOYSA-N 2 2 380.374 3.965 20 0 GHADLP C[N@@H+](Cc1ccc(Br)cc1N1CCCCC1)C1CC[NH+](C)CC1 ZINC001139250798 1026100479 /nfs/dbraw/zinc/10/04/79/1026100479.db2.gz XSHYOQFMRMCTNI-UHFFFAOYSA-N 2 2 380.374 3.965 20 0 GHADLP CC(C)[N@@H+]1CC[C@H](Nc2ncnc3c2C[NH+](Cc2ccccc2)CC3)[C@H](C)C1 ZINC001163363365 1026160079 /nfs/dbraw/zinc/16/00/79/1026160079.db2.gz QJLNAKAKBQPKDW-NQIIRXRSSA-N 2 2 379.552 3.566 20 0 GHADLP CC(C)[N@H+]1CC[C@H](Nc2ncnc3c2C[NH+](Cc2ccccc2)CC3)[C@H](C)C1 ZINC001163363365 1026160087 /nfs/dbraw/zinc/16/00/87/1026160087.db2.gz QJLNAKAKBQPKDW-NQIIRXRSSA-N 2 2 379.552 3.566 20 0 GHADLP CC(C)[NH+]1CC[C@H](Nc2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@H](C)C1 ZINC001163363365 1026160096 /nfs/dbraw/zinc/16/00/96/1026160096.db2.gz QJLNAKAKBQPKDW-NQIIRXRSSA-N 2 2 379.552 3.566 20 0 GHADLP CC(C)[NH+]1CC[C@H](Nc2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@H](C)C1 ZINC001163363365 1026160103 /nfs/dbraw/zinc/16/01/03/1026160103.db2.gz QJLNAKAKBQPKDW-NQIIRXRSSA-N 2 2 379.552 3.566 20 0 GHADLP COc1ccc([C@@H](O)C[N@H+](CCc2c[nH+]cn2C)[C@@H](C)Cc2ccccc2)cc1 ZINC000839646555 1026160726 /nfs/dbraw/zinc/16/07/26/1026160726.db2.gz JQCVMTOKWDBUCB-CYFREDJKSA-N 2 2 393.531 3.638 20 0 GHADLP COc1ccc([C@@H](O)C[N@@H+](CCc2c[nH+]cn2C)[C@@H](C)Cc2ccccc2)cc1 ZINC000839646555 1026160734 /nfs/dbraw/zinc/16/07/34/1026160734.db2.gz JQCVMTOKWDBUCB-CYFREDJKSA-N 2 2 393.531 3.638 20 0 GHADLP Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4ccc(-n5cc[nH+]c5)cc4)CC[N@@H+]3C2)cc1 ZINC001139360616 1026235184 /nfs/dbraw/zinc/23/51/84/1026235184.db2.gz YRUQETQPAFQVRW-VWNXMTODSA-N 2 2 388.515 3.518 20 0 GHADLP Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4ccc(-n5cc[nH+]c5)cc4)CC[N@H+]3C2)cc1 ZINC001139360616 1026235193 /nfs/dbraw/zinc/23/51/93/1026235193.db2.gz YRUQETQPAFQVRW-VWNXMTODSA-N 2 2 388.515 3.518 20 0 GHADLP Cc1cccc(NC(=O)NC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC001139363434 1026239347 /nfs/dbraw/zinc/23/93/47/1026239347.db2.gz CLUHDYHZQURJPT-UHFFFAOYSA-N 2 2 389.503 3.967 20 0 GHADLP CC(C)(C)OC(=O)CCC[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001202937738 1026337385 /nfs/dbraw/zinc/33/73/85/1026337385.db2.gz APDFWIJMHBQZDP-UHFFFAOYSA-N 2 2 393.915 3.827 20 0 GHADLP C[NH+](C)C1(CNc2ccc(-c3cc(Cl)ccc3Cl)nn2)CC[NH+](C)CC1 ZINC001164211190 1026453090 /nfs/dbraw/zinc/45/30/90/1026453090.db2.gz NHFKGJYHSFMGIP-UHFFFAOYSA-N 2 2 394.350 3.888 20 0 GHADLP COc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)ccc1Cl ZINC001139613328 1026475806 /nfs/dbraw/zinc/47/58/06/1026475806.db2.gz OYJQFVYQAYBLIT-UHFFFAOYSA-N 2 2 390.911 3.809 20 0 GHADLP COc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)ccc1Cl ZINC001139613328 1026475810 /nfs/dbraw/zinc/47/58/10/1026475810.db2.gz OYJQFVYQAYBLIT-UHFFFAOYSA-N 2 2 390.911 3.809 20 0 GHADLP CCCN(CCC)c1cc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc[nH+]1 ZINC001165271110 1026687569 /nfs/dbraw/zinc/68/75/69/1026687569.db2.gz SBQQLJJVYCJINP-KRWDZBQOSA-N 2 2 385.478 3.614 20 0 GHADLP CCCN(CCC)c1cc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)[nH+]cn1 ZINC001165271110 1026687575 /nfs/dbraw/zinc/68/75/75/1026687575.db2.gz SBQQLJJVYCJINP-KRWDZBQOSA-N 2 2 385.478 3.614 20 0 GHADLP Cc1ccc(-c2nc3ccccc3c(-n3c(C)[nH+]c4c3CC[NH2+]CC4)n2)s1 ZINC001165355800 1026711633 /nfs/dbraw/zinc/71/16/33/1026711633.db2.gz YZBLBNPKLCNLJU-UHFFFAOYSA-N 2 2 375.501 3.849 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cncc4ccccc43)CC[C@@H]21 ZINC001139895997 1026712106 /nfs/dbraw/zinc/71/21/06/1026712106.db2.gz OVRBMYGNFMESGX-SFLYRZDNSA-N 2 2 389.547 3.805 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cncc4ccccc43)CC[C@@H]21 ZINC001139895997 1026712117 /nfs/dbraw/zinc/71/21/17/1026712117.db2.gz OVRBMYGNFMESGX-SFLYRZDNSA-N 2 2 389.547 3.805 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3cncc4ccccc43)CC[C@@H]21 ZINC001139895997 1026712127 /nfs/dbraw/zinc/71/21/27/1026712127.db2.gz OVRBMYGNFMESGX-SFLYRZDNSA-N 2 2 389.547 3.805 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3cncc4ccccc43)CC[C@@H]21 ZINC001139895997 1026712138 /nfs/dbraw/zinc/71/21/38/1026712138.db2.gz OVRBMYGNFMESGX-SFLYRZDNSA-N 2 2 389.547 3.805 20 0 GHADLP Brc1c[nH+]c2ccccc2c1NCC1C[NH+](Cc2ccccc2)C1 ZINC001165453751 1026730349 /nfs/dbraw/zinc/73/03/49/1026730349.db2.gz IBTXZTQGPFLLAD-UHFFFAOYSA-N 2 2 382.305 3.963 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001140025887 1026813813 /nfs/dbraw/zinc/81/38/13/1026813813.db2.gz FWHUQIXTYZRQQF-ICSRJNTNSA-N 2 2 396.535 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001140025887 1026813824 /nfs/dbraw/zinc/81/38/24/1026813824.db2.gz FWHUQIXTYZRQQF-ICSRJNTNSA-N 2 2 396.535 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001140026996 1026814420 /nfs/dbraw/zinc/81/44/20/1026814420.db2.gz SWOCDFMSNKHOKX-QZTJIDSGSA-N 2 2 388.487 3.618 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001140026996 1026814430 /nfs/dbraw/zinc/81/44/30/1026814430.db2.gz SWOCDFMSNKHOKX-QZTJIDSGSA-N 2 2 388.487 3.618 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(N2C(=O)Cc3ccccc32)CC1 ZINC001140028108 1026816245 /nfs/dbraw/zinc/81/62/45/1026816245.db2.gz LIAGPAMYOPDCEZ-UHFFFAOYSA-N 2 2 386.499 3.734 20 0 GHADLP Oc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c(Cl)c1 ZINC001140081795 1026860205 /nfs/dbraw/zinc/86/02/05/1026860205.db2.gz DJRVTASWIRMCNJ-UHFFFAOYSA-N 2 2 376.884 3.506 20 0 GHADLP Oc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c(Cl)c1 ZINC001140081795 1026860214 /nfs/dbraw/zinc/86/02/14/1026860214.db2.gz DJRVTASWIRMCNJ-UHFFFAOYSA-N 2 2 376.884 3.506 20 0 GHADLP CC(C)C[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1)n1cc[nH+]c1 ZINC001166815618 1027092424 /nfs/dbraw/zinc/09/24/24/1027092424.db2.gz QKWBFKILXZJZDS-YADHBBJMSA-N 2 2 382.552 3.839 20 0 GHADLP CC(C)C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1)n1cc[nH+]c1 ZINC001166815618 1027092439 /nfs/dbraw/zinc/09/24/39/1027092439.db2.gz QKWBFKILXZJZDS-YADHBBJMSA-N 2 2 382.552 3.839 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(Cl)cc4Cl)C[C@H]3C2)cn1 ZINC001203394609 1027308682 /nfs/dbraw/zinc/30/86/82/1027308682.db2.gz MULMWUYHNAXSCL-NVXWUHKLSA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(Cl)cc4Cl)C[C@H]3C2)cn1 ZINC001203394609 1027308701 /nfs/dbraw/zinc/30/87/01/1027308701.db2.gz MULMWUYHNAXSCL-NVXWUHKLSA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(Cl)cc4Cl)C[C@H]3C2)cn1 ZINC001203394609 1027308719 /nfs/dbraw/zinc/30/87/19/1027308719.db2.gz MULMWUYHNAXSCL-NVXWUHKLSA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(Cl)cc4Cl)C[C@H]3C2)cn1 ZINC001203394609 1027308738 /nfs/dbraw/zinc/30/87/38/1027308738.db2.gz MULMWUYHNAXSCL-NVXWUHKLSA-N 2 2 379.335 3.681 20 0 GHADLP COc1ccc2c(Nc3ccc(OCC[NH+]4CCOCC4)cc3)cc[nH+]c2c1 ZINC001203526458 1027406706 /nfs/dbraw/zinc/40/67/06/1027406706.db2.gz YEVJXQDPVUKMHL-UHFFFAOYSA-N 2 2 379.460 3.698 20 0 GHADLP c1cc(Nc2ccc(C[NH+]3CCCC3)cc2)cc(OCC[NH+]2CCOCC2)c1 ZINC001203807334 1027622242 /nfs/dbraw/zinc/62/22/42/1027622242.db2.gz PECGPEXPMKBKDZ-UHFFFAOYSA-N 2 2 381.520 3.737 20 0 GHADLP C[NH2+]Cc1cccc(Nc2ccc[nH+]c2N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001211136114 1027804550 /nfs/dbraw/zinc/80/45/50/1027804550.db2.gz PHFZNCTUMASMOW-UHFFFAOYSA-N 2 2 397.523 3.602 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC001204134327 1027905525 /nfs/dbraw/zinc/90/55/25/1027905525.db2.gz CVZVSZPYNYJHHC-UHFFFAOYSA-N 2 2 377.532 3.530 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC001204134327 1027905531 /nfs/dbraw/zinc/90/55/31/1027905531.db2.gz CVZVSZPYNYJHHC-UHFFFAOYSA-N 2 2 377.532 3.530 20 0 GHADLP Cc1ccc2ccccc2c1C[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001142383628 1028794513 /nfs/dbraw/zinc/79/45/13/1028794513.db2.gz MBODRRWJUWHYTN-UHFFFAOYSA-N 2 2 387.531 3.861 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1c[nH]c3cc(Br)ccc13)CC2 ZINC001142394842 1028805588 /nfs/dbraw/zinc/80/55/88/1028805588.db2.gz GQLOPLCOFPGADP-UHFFFAOYSA-N 2 2 391.313 3.560 20 0 GHADLP C[C@H](C[NH+](C)C)NC(=O)CC1=C(c2ccccc2)[NH2+]C(c2ccccc2)S1 ZINC001142486885 1028985952 /nfs/dbraw/zinc/98/59/52/1028985952.db2.gz OABYAXZXJIJSOZ-MRXNPFEDSA-N 2 2 380.537 3.686 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC001215552342 1029277357 /nfs/dbraw/zinc/27/73/57/1029277357.db2.gz XLVZFRJAEJAVJD-OAQYLSRUSA-N 2 2 397.519 3.656 20 0 GHADLP Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(N(C)C)[nH+]1 ZINC001216090342 1029520672 /nfs/dbraw/zinc/52/06/72/1029520672.db2.gz QZVKIBVZEMGARK-HXUWFJFHSA-N 2 2 395.551 3.878 20 0 GHADLP Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(N(C)C)[nH+]1 ZINC001216090342 1029520684 /nfs/dbraw/zinc/52/06/84/1029520684.db2.gz QZVKIBVZEMGARK-HXUWFJFHSA-N 2 2 395.551 3.878 20 0 GHADLP Brc1ccc2c(C3C[NH+](Cc4ccnc5[nH]ccc54)C3)[nH+]cn2c1 ZINC001142882413 1029633192 /nfs/dbraw/zinc/63/31/92/1029633192.db2.gz NNTSAIOHHCZEEQ-UHFFFAOYSA-N 2 2 382.265 3.573 20 0 GHADLP COC(=O)Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)cc1 ZINC001142912851 1029680419 /nfs/dbraw/zinc/68/04/19/1029680419.db2.gz XOJWZHUBJQRNTP-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP COC(=O)Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)cc1 ZINC001142912851 1029680421 /nfs/dbraw/zinc/68/04/21/1029680421.db2.gz XOJWZHUBJQRNTP-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000843048376 1029786783 /nfs/dbraw/zinc/78/67/83/1029786783.db2.gz ODRXHJUSVPFIBU-LBPRGKRZSA-N 2 2 387.742 3.981 20 0 GHADLP Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000843048376 1029786786 /nfs/dbraw/zinc/78/67/86/1029786786.db2.gz ODRXHJUSVPFIBU-LBPRGKRZSA-N 2 2 387.742 3.981 20 0 GHADLP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1ccc(Cl)c(C(C)C)c1)CC[NH2+]CC2 ZINC001222232562 1030024709 /nfs/dbraw/zinc/02/47/09/1030024709.db2.gz WFNLDJFNWUKJFJ-IBGZPJMESA-N 2 2 378.944 3.971 20 0 GHADLP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccc(Cl)c(C(C)C)c1)CC[NH2+]CC2 ZINC001222232562 1030024726 /nfs/dbraw/zinc/02/47/26/1030024726.db2.gz WFNLDJFNWUKJFJ-IBGZPJMESA-N 2 2 378.944 3.971 20 0 GHADLP FC(F)Oc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1OC(F)F ZINC001222271753 1030041578 /nfs/dbraw/zinc/04/15/78/1030041578.db2.gz JFAYKRBSAICRKU-GOSISDBHSA-N 2 2 376.394 3.855 20 0 GHADLP FC(F)Oc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1OC(F)F ZINC001222271753 1030041594 /nfs/dbraw/zinc/04/15/94/1030041594.db2.gz JFAYKRBSAICRKU-GOSISDBHSA-N 2 2 376.394 3.855 20 0 GHADLP Cc1cc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cnc1F ZINC001222591103 1030218350 /nfs/dbraw/zinc/21/83/50/1030218350.db2.gz QXELGYXSZAJGIM-OAQYLSRUSA-N 2 2 383.511 3.833 20 0 GHADLP Cc1cc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cnc1F ZINC001222591103 1030218365 /nfs/dbraw/zinc/21/83/65/1030218365.db2.gz QXELGYXSZAJGIM-OAQYLSRUSA-N 2 2 383.511 3.833 20 0 GHADLP C[N@H+](CC(=O)c1cccc(OC2CC3(C2)CCC[NH2+]C3)c1)Cc1ccccc1 ZINC001218253508 1030856271 /nfs/dbraw/zinc/85/62/71/1030856271.db2.gz JAEXEMXOOUQRHT-UHFFFAOYSA-N 2 2 378.516 3.912 20 0 GHADLP C[N@@H+](CC(=O)c1cccc(OC2CC3(C2)CCC[NH2+]C3)c1)Cc1ccccc1 ZINC001218253508 1030856294 /nfs/dbraw/zinc/85/62/94/1030856294.db2.gz JAEXEMXOOUQRHT-UHFFFAOYSA-N 2 2 378.516 3.912 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC001218558777 1030986500 /nfs/dbraw/zinc/98/65/00/1030986500.db2.gz AWDPZPWUXMLYLI-OAHLLOKOSA-N 2 2 390.365 3.571 20 0 GHADLP Cc1sc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)c(C(=O)c2ccccc2)c1C ZINC001218586641 1030996195 /nfs/dbraw/zinc/99/61/95/1030996195.db2.gz CIPIJZKLACGSPX-GOSISDBHSA-N 2 2 393.512 3.807 20 0 GHADLP C[N@H+](Cc1ccccc1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C1CCCCC1 ZINC001219025382 1031218433 /nfs/dbraw/zinc/21/84/33/1031218433.db2.gz HRMQVZDTPHCYTH-OAQYLSRUSA-N 3 2 380.536 3.662 20 0 GHADLP C[N@@H+](Cc1ccccc1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C1CCCCC1 ZINC001219025382 1031218447 /nfs/dbraw/zinc/21/84/47/1031218447.db2.gz HRMQVZDTPHCYTH-OAQYLSRUSA-N 3 2 380.536 3.662 20 0 GHADLP CCN(C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC001461760300 1069730266 /nfs/dbraw/zinc/73/02/66/1069730266.db2.gz BUVOBZPHNCAWGJ-NRFANRHFSA-N 2 2 377.532 3.826 20 0 GHADLP CCN(C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC001461760300 1069730271 /nfs/dbraw/zinc/73/02/71/1069730271.db2.gz BUVOBZPHNCAWGJ-NRFANRHFSA-N 2 2 377.532 3.826 20 0 GHADLP C[C@H](CCNC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)[NH+]1CCCCC1 ZINC001226091131 1031783409 /nfs/dbraw/zinc/78/34/09/1031783409.db2.gz CGSKFPIITAWTTB-MOPGFXCFSA-N 2 2 389.588 3.792 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H]3CCC(C)C)CC2)CC1 ZINC001226485851 1031976729 /nfs/dbraw/zinc/97/67/29/1031976729.db2.gz DKLIDZGWEOTEFL-IFMALSPDSA-N 2 2 392.632 3.793 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H]3CCC(C)C)CC2)CC1 ZINC001226485851 1031976733 /nfs/dbraw/zinc/97/67/33/1031976733.db2.gz DKLIDZGWEOTEFL-IFMALSPDSA-N 2 2 392.632 3.793 20 0 GHADLP C[C@H](C(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001220532504 1031979714 /nfs/dbraw/zinc/97/97/14/1031979714.db2.gz HRPARAJOBYTKTE-KYZVSKTDSA-N 2 2 386.367 3.737 20 0 GHADLP C[C@H](CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)[N@@H+]1CCCC[C@H]1C ZINC001220627126 1032027773 /nfs/dbraw/zinc/02/77/73/1032027773.db2.gz VEBMMEXLADWRRK-HZPDHXFCSA-N 2 2 389.931 3.588 20 0 GHADLP C[C@H](CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)[N@H+]1CCCC[C@H]1C ZINC001220627126 1032027785 /nfs/dbraw/zinc/02/77/85/1032027785.db2.gz VEBMMEXLADWRRK-HZPDHXFCSA-N 2 2 389.931 3.588 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)ccc21 ZINC001205597727 1033485289 /nfs/dbraw/zinc/48/52/89/1033485289.db2.gz DMZQERBIHFMRQE-HXUWFJFHSA-N 2 2 391.519 3.595 20 0 GHADLP c1ccc(C[N@@H+]2CCO[C@H](COc3cccc(C[NH+]4CCCCC4)c3)C2)cc1 ZINC001229449113 1033486742 /nfs/dbraw/zinc/48/67/42/1033486742.db2.gz XREQPLNZXKTGPB-DEOSSOPVSA-N 2 2 380.532 3.952 20 0 GHADLP c1ccc(C[N@H+]2CCO[C@H](COc3cccc(C[NH+]4CCCCC4)c3)C2)cc1 ZINC001229449113 1033486749 /nfs/dbraw/zinc/48/67/49/1033486749.db2.gz XREQPLNZXKTGPB-DEOSSOPVSA-N 2 2 380.532 3.952 20 0 GHADLP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC001205650002 1033512161 /nfs/dbraw/zinc/51/21/61/1033512161.db2.gz ANWVQEPCHHTDBA-GHTZIAJQSA-N 2 2 399.579 3.942 20 0 GHADLP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001205650002 1033512167 /nfs/dbraw/zinc/51/21/67/1033512167.db2.gz ANWVQEPCHHTDBA-GHTZIAJQSA-N 2 2 399.579 3.942 20 0 GHADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)o2)cc1 ZINC001205769587 1033565232 /nfs/dbraw/zinc/56/52/32/1033565232.db2.gz JINKJQDUWVYQMJ-INIZCTEOSA-N 2 2 378.419 3.539 20 0 GHADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)o2)cc1 ZINC001205769587 1033565242 /nfs/dbraw/zinc/56/52/42/1033565242.db2.gz JINKJQDUWVYQMJ-INIZCTEOSA-N 2 2 378.419 3.539 20 0 GHADLP [NH3+]CCC1CC[NH+](Cc2scc(Br)c2Br)CC1 ZINC001206506601 1033880539 /nfs/dbraw/zinc/88/05/39/1033880539.db2.gz HFBMIMZZKXXHQP-UHFFFAOYSA-N 2 2 382.165 3.834 20 0 GHADLP Brc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)nc1 ZINC001206534543 1033896676 /nfs/dbraw/zinc/89/66/76/1033896676.db2.gz YVSPBGKWUQXGOO-UHFFFAOYSA-N 2 2 386.337 3.942 20 0 GHADLP Fc1cc(C[NH+]2CCOCC2)ccc1-c1ccc2c(c1)CCC21CC[NH2+]CC1 ZINC001206703661 1033950973 /nfs/dbraw/zinc/95/09/73/1033950973.db2.gz OMWRRPFXPDKCNY-UHFFFAOYSA-N 2 2 380.507 3.892 20 0 GHADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)c(OC(F)(F)F)c1 ZINC001206810822 1033993676 /nfs/dbraw/zinc/99/36/76/1033993676.db2.gz PVLJJQIGDJCKSV-JQWIXIFHSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Br)c(OC(F)(F)F)c1 ZINC001206810822 1033993678 /nfs/dbraw/zinc/99/36/78/1033993678.db2.gz PVLJJQIGDJCKSV-JQWIXIFHSA-N 2 2 381.236 3.907 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4C[C@@H]4c4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001207183644 1034152990 /nfs/dbraw/zinc/15/29/90/1034152990.db2.gz OITNNFFUVFUCQP-FCIYXJNOSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4C[C@@H]4c4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001207183644 1034152994 /nfs/dbraw/zinc/15/29/94/1034152994.db2.gz OITNNFFUVFUCQP-FCIYXJNOSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H]4C[C@@H]4c4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001207183644 1034153002 /nfs/dbraw/zinc/15/30/02/1034153002.db2.gz OITNNFFUVFUCQP-FCIYXJNOSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@@H]4C[C@@H]4c4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001207183644 1034153005 /nfs/dbraw/zinc/15/30/05/1034153005.db2.gz OITNNFFUVFUCQP-FCIYXJNOSA-N 2 2 384.955 3.631 20 0 GHADLP C[NH+]1CCC([N@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CCCC2)CC1 ZINC001207247228 1034212444 /nfs/dbraw/zinc/21/24/44/1034212444.db2.gz RNVHLAFZCZKQRP-GOSISDBHSA-N 2 2 379.589 3.972 20 0 GHADLP C[NH+]1CCC([N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CCCC2)CC1 ZINC001207247228 1034212449 /nfs/dbraw/zinc/21/24/49/1034212449.db2.gz RNVHLAFZCZKQRP-GOSISDBHSA-N 2 2 379.589 3.972 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](CCc2c(Cl)nc(C)nc2Cl)CC1 ZINC001207336463 1034285950 /nfs/dbraw/zinc/28/59/50/1034285950.db2.gz NYSXQAQYCFZSTJ-UHFFFAOYSA-N 2 2 380.323 3.577 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001207365659 1034308027 /nfs/dbraw/zinc/30/80/27/1034308027.db2.gz CIDFKOQFLGNZIA-KZNAEPCWSA-N 2 2 391.581 3.511 20 0 GHADLP CCCN(CCC)c1cc(N2CCC3(CC2)[NH2+]CCc2ccccc23)nc[nH+]1 ZINC001159019994 1034384367 /nfs/dbraw/zinc/38/43/67/1034384367.db2.gz MJEJQANDTKAZSJ-UHFFFAOYSA-N 2 2 379.552 3.744 20 0 GHADLP CCCN(CCC)c1cc(N2CCC3(CC2)[NH2+]CCc2ccccc23)[nH+]cn1 ZINC001159019994 1034384379 /nfs/dbraw/zinc/38/43/79/1034384379.db2.gz MJEJQANDTKAZSJ-UHFFFAOYSA-N 2 2 379.552 3.744 20 0 GHADLP COC(=O)C[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001207738910 1034550133 /nfs/dbraw/zinc/55/01/33/1034550133.db2.gz PUZYAENPLJTSJJ-PMOQBDJRSA-N 2 2 380.532 3.661 20 0 GHADLP COC(=O)C[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001207738910 1034550141 /nfs/dbraw/zinc/55/01/41/1034550141.db2.gz PUZYAENPLJTSJJ-PMOQBDJRSA-N 2 2 380.532 3.661 20 0 GHADLP Cc1c(F)ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1F ZINC001231476279 1034621135 /nfs/dbraw/zinc/62/11/35/1034621135.db2.gz VKIWLPPOHKGJHT-UHFFFAOYSA-N 2 2 376.447 3.733 20 0 GHADLP Cc1c(F)ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1F ZINC001231476279 1034621139 /nfs/dbraw/zinc/62/11/39/1034621139.db2.gz VKIWLPPOHKGJHT-UHFFFAOYSA-N 2 2 376.447 3.733 20 0 GHADLP CCOC(=O)CCCc1[nH+]c2cc(Nc3cccc(OCC[NH3+])c3)ccc2n1C ZINC001159660348 1034706343 /nfs/dbraw/zinc/70/63/43/1034706343.db2.gz HUCJZFWURUEZHF-UHFFFAOYSA-N 2 2 396.491 3.540 20 0 GHADLP CCOc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC(=O)C(C)C ZINC001231561801 1034712757 /nfs/dbraw/zinc/71/27/57/1034712757.db2.gz NSUPXOVJYNFVQJ-LJQANCHMSA-N 2 2 384.476 3.695 20 0 GHADLP CCOc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC(=O)C(C)C ZINC001231561801 1034712771 /nfs/dbraw/zinc/71/27/71/1034712771.db2.gz NSUPXOVJYNFVQJ-LJQANCHMSA-N 2 2 384.476 3.695 20 0 GHADLP Cc1nc(-n2cncn2)cc(N[C@@H]2CC[C@H](C[C@@H]3CC[C@H]([NH3+])[C@H](C)C3)C[C@H]2C)[nH+]1 ZINC001159885996 1034774540 /nfs/dbraw/zinc/77/45/40/1034774540.db2.gz CZFNTGYNTYXKKE-FMPVVUMJSA-N 2 2 397.571 3.736 20 0 GHADLP CCOc1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)cn1 ZINC001231650623 1034808128 /nfs/dbraw/zinc/80/81/28/1034808128.db2.gz ALRZPWOJADUFIJ-UHFFFAOYSA-N 2 2 384.524 3.716 20 0 GHADLP CCOc1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)cn1 ZINC001231650623 1034808137 /nfs/dbraw/zinc/80/81/37/1034808137.db2.gz ALRZPWOJADUFIJ-UHFFFAOYSA-N 2 2 384.524 3.716 20 0 GHADLP CN(c1ccc(Nc2cccc(C(=O)N3CC[NH2+]CC3)c2)c[nH+]1)C1CCCCC1 ZINC001159993989 1034819089 /nfs/dbraw/zinc/81/90/89/1034819089.db2.gz IHEDLNHAXVBCLA-UHFFFAOYSA-N 2 2 393.535 3.640 20 0 GHADLP CC(C)Cc1ccc(C[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001231788790 1034911352 /nfs/dbraw/zinc/91/13/52/1034911352.db2.gz YCELPZRNBCLODM-UHFFFAOYSA-N 2 2 381.568 3.521 20 0 GHADLP CC(C)Cc1ccc(C[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001231788790 1034911358 /nfs/dbraw/zinc/91/13/58/1034911358.db2.gz YCELPZRNBCLODM-UHFFFAOYSA-N 2 2 381.568 3.521 20 0 GHADLP CCCOc1ncccc1C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001231860303 1034949069 /nfs/dbraw/zinc/94/90/69/1034949069.db2.gz BZQIIUHBGBBKCM-FQEVSTJZSA-N 2 2 399.535 3.719 20 0 GHADLP CCCOc1ncccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001231860303 1034949072 /nfs/dbraw/zinc/94/90/72/1034949072.db2.gz BZQIIUHBGBBKCM-FQEVSTJZSA-N 2 2 399.535 3.719 20 0 GHADLP C[N@@H+]1CCC[C@H](C[NH+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)C1 ZINC001208608880 1034953296 /nfs/dbraw/zinc/95/32/96/1034953296.db2.gz XGOIAKMYFKZPRR-YYWHXJBOSA-N 2 2 385.552 3.547 20 0 GHADLP C[N@H+]1CCC[C@H](C[NH+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)C1 ZINC001208608880 1034953301 /nfs/dbraw/zinc/95/33/01/1034953301.db2.gz XGOIAKMYFKZPRR-YYWHXJBOSA-N 2 2 385.552 3.547 20 0 GHADLP C[NH+]1CCC[C@H](C[N@@H+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)C1 ZINC001208608880 1034953303 /nfs/dbraw/zinc/95/33/03/1034953303.db2.gz XGOIAKMYFKZPRR-YYWHXJBOSA-N 2 2 385.552 3.547 20 0 GHADLP C[NH+]1CCC[C@H](C[N@H+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)C1 ZINC001208608880 1034953308 /nfs/dbraw/zinc/95/33/08/1034953308.db2.gz XGOIAKMYFKZPRR-YYWHXJBOSA-N 2 2 385.552 3.547 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1c[nH]c3c1cccc3Br)CC2 ZINC001232020007 1035047630 /nfs/dbraw/zinc/04/76/30/1035047630.db2.gz MKKIZJDHHCRZTA-UHFFFAOYSA-N 2 2 391.313 3.560 20 0 GHADLP Cc1ccc([C@@H](C(=O)N2CCCC3(CC(F)C3)CC2)[NH+]2CCC([NH3+])CC2)cc1 ZINC001160756536 1035058308 /nfs/dbraw/zinc/05/83/08/1035058308.db2.gz ONMDNDSUHOETMJ-SWCONJRYSA-N 2 2 387.543 3.590 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)C2)cc1 ZINC001208934982 1035100845 /nfs/dbraw/zinc/10/08/45/1035100845.db2.gz MBUVODQKQPCHLR-UEQSERJNSA-N 2 2 384.564 3.557 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)C2)cc1 ZINC001208934982 1035100849 /nfs/dbraw/zinc/10/08/49/1035100849.db2.gz MBUVODQKQPCHLR-UEQSERJNSA-N 2 2 384.564 3.557 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)C2)cc1 ZINC001208934982 1035100853 /nfs/dbraw/zinc/10/08/53/1035100853.db2.gz MBUVODQKQPCHLR-UEQSERJNSA-N 2 2 384.564 3.557 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)C2)cc1 ZINC001208934982 1035100858 /nfs/dbraw/zinc/10/08/58/1035100858.db2.gz MBUVODQKQPCHLR-UEQSERJNSA-N 2 2 384.564 3.557 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)C2)cc1 ZINC001208934981 1035101023 /nfs/dbraw/zinc/10/10/23/1035101023.db2.gz MBUVODQKQPCHLR-CJRSTVEYSA-N 2 2 384.564 3.557 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)C2)cc1 ZINC001208934981 1035101030 /nfs/dbraw/zinc/10/10/30/1035101030.db2.gz MBUVODQKQPCHLR-CJRSTVEYSA-N 2 2 384.564 3.557 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)C2)cc1 ZINC001208934981 1035101035 /nfs/dbraw/zinc/10/10/35/1035101035.db2.gz MBUVODQKQPCHLR-CJRSTVEYSA-N 2 2 384.564 3.557 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)C2)cc1 ZINC001208934981 1035101041 /nfs/dbraw/zinc/10/10/41/1035101041.db2.gz MBUVODQKQPCHLR-CJRSTVEYSA-N 2 2 384.564 3.557 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCO[C@]3(CCCN(c4ccccc4)C3)C2)c1 ZINC001232147845 1035126658 /nfs/dbraw/zinc/12/66/58/1035126658.db2.gz MNOJQPPPWWZLQL-XMMPIXPASA-N 2 2 397.538 3.759 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCO[C@]3(CCCN(c4ccccc4)C3)C2)c1 ZINC001232147845 1035126662 /nfs/dbraw/zinc/12/66/62/1035126662.db2.gz MNOJQPPPWWZLQL-XMMPIXPASA-N 2 2 397.538 3.759 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3CC[NH+](C[C@H]4CC[N@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208956849 1035130002 /nfs/dbraw/zinc/13/00/02/1035130002.db2.gz JCCGOZDHPFSDGR-GSDHBNRESA-N 3 2 389.587 3.962 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3CC[NH+](C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208956849 1035130005 /nfs/dbraw/zinc/13/00/05/1035130005.db2.gz JCCGOZDHPFSDGR-GSDHBNRESA-N 3 2 389.587 3.962 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)C2)cc1 ZINC001208956849 1035130010 /nfs/dbraw/zinc/13/00/10/1035130010.db2.gz JCCGOZDHPFSDGR-GSDHBNRESA-N 3 2 389.587 3.962 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)C2)cc1 ZINC001208956849 1035130022 /nfs/dbraw/zinc/13/00/22/1035130022.db2.gz JCCGOZDHPFSDGR-GSDHBNRESA-N 3 2 389.587 3.962 20 0 GHADLP FC1(F)CN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@@H]1[NH+]1CCCCC1 ZINC001208961457 1035132851 /nfs/dbraw/zinc/13/28/51/1035132851.db2.gz FWKKNHCSGWRSCJ-RTWAWAEBSA-N 2 2 377.523 3.704 20 0 GHADLP FC1(F)CN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1[NH+]1CCCCC1 ZINC001208961457 1035132860 /nfs/dbraw/zinc/13/28/60/1035132860.db2.gz FWKKNHCSGWRSCJ-RTWAWAEBSA-N 2 2 377.523 3.704 20 0 GHADLP c1cc(-c2ccc3c(C4C[NH+](Cc5cc6c(cn5)OCCC6)C4)[nH+]cn3c2)co1 ZINC001209502988 1035295024 /nfs/dbraw/zinc/29/50/24/1035295024.db2.gz QBXRKFYPFMAWAA-UHFFFAOYSA-N 2 2 386.455 3.914 20 0 GHADLP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc(F)c1O ZINC001209534478 1035307413 /nfs/dbraw/zinc/30/74/13/1035307413.db2.gz QIZAPFUSDYJLNY-HFSMHLIXSA-N 2 2 399.510 3.667 20 0 GHADLP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc(F)c1O ZINC001209534478 1035307414 /nfs/dbraw/zinc/30/74/14/1035307414.db2.gz QIZAPFUSDYJLNY-HFSMHLIXSA-N 2 2 399.510 3.667 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc(F)c1O ZINC001209534478 1035307417 /nfs/dbraw/zinc/30/74/17/1035307417.db2.gz QIZAPFUSDYJLNY-HFSMHLIXSA-N 2 2 399.510 3.667 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc(F)c1O ZINC001209534478 1035307421 /nfs/dbraw/zinc/30/74/21/1035307421.db2.gz QIZAPFUSDYJLNY-HFSMHLIXSA-N 2 2 399.510 3.667 20 0 GHADLP COc1ccc2cc(CC[C@@H](C)[NH2+]C[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)ccc2c1 ZINC001246149352 1037216776 /nfs/dbraw/zinc/21/67/76/1037216776.db2.gz UUPYEXJCHKOUPZ-GCJKJVERSA-N 3 2 381.564 3.633 20 0 GHADLP [NH3+]Cc1ccc(OCCCCCOc2ccc(C[NH2+][C@H]3CCC[NH2+]C3)cc2)cc1 ZINC001246204427 1037237577 /nfs/dbraw/zinc/23/75/77/1037237577.db2.gz ZTJSIDBNORAUOZ-QFIPXVFZSA-N 3 2 397.563 3.615 20 0 GHADLP CO[C@H]1C[NH2+]C[C@@H]1[NH2+]C1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001246238611 1037250576 /nfs/dbraw/zinc/25/05/76/1037250576.db2.gz GKGGLTYGXGUTKP-OVKIHRCZSA-N 3 2 393.575 3.576 20 0 GHADLP CCOC(=O)c1csc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)c1 ZINC001246348560 1037308742 /nfs/dbraw/zinc/30/87/42/1037308742.db2.gz SBEVFSKUMXFNHL-VQIMIIECSA-N 2 2 376.497 3.955 20 0 GHADLP COc1cccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)c1 ZINC001246361963 1037321634 /nfs/dbraw/zinc/32/16/34/1037321634.db2.gz PPONRKLZUBANGS-HFMPRLQTSA-N 2 2 397.538 3.800 20 0 GHADLP COc1cccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)c1 ZINC001246361963 1037321660 /nfs/dbraw/zinc/32/16/60/1037321660.db2.gz PPONRKLZUBANGS-HFMPRLQTSA-N 2 2 397.538 3.800 20 0 GHADLP COc1cccc(CN2CC[C@H]([NH2+][C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)c1 ZINC001246361963 1037321682 /nfs/dbraw/zinc/32/16/82/1037321682.db2.gz PPONRKLZUBANGS-HFMPRLQTSA-N 2 2 397.538 3.800 20 0 GHADLP COc1cccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)c1 ZINC001246361961 1037323315 /nfs/dbraw/zinc/32/33/15/1037323315.db2.gz PPONRKLZUBANGS-DPLHUUCSSA-N 2 2 397.538 3.800 20 0 GHADLP COc1cccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)c1 ZINC001246361961 1037323330 /nfs/dbraw/zinc/32/33/30/1037323330.db2.gz PPONRKLZUBANGS-DPLHUUCSSA-N 2 2 397.538 3.800 20 0 GHADLP COc1cccc(CN2CC[C@H]([NH2+][C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)c1 ZINC001246361961 1037323338 /nfs/dbraw/zinc/32/33/38/1037323338.db2.gz PPONRKLZUBANGS-DPLHUUCSSA-N 2 2 397.538 3.800 20 0 GHADLP c1ccc(-c2nnc3ccc(C[NH2+][C@H]4CC[NH2+][C@H](c5ccccc5)C4)cn32)cc1 ZINC001246391104 1037352575 /nfs/dbraw/zinc/35/25/75/1037352575.db2.gz QUHIGHONFMCDBE-VXKWHMMOSA-N 2 2 383.499 3.979 20 0 GHADLP FC(F)(F)c1cccc(CC2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC[NH2+]CC2)c1 ZINC001246428988 1037390094 /nfs/dbraw/zinc/39/00/94/1037390094.db2.gz FOPDYHJPUQMQKC-BWTSREIZSA-N 3 2 381.486 3.633 20 0 GHADLP CCOC(=O)[C@H](CSCc1ccccc1)[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246444893 1037408509 /nfs/dbraw/zinc/40/85/09/1037408509.db2.gz UGJIHISJSINUJM-FUHYEJFZSA-N 2 2 390.593 3.754 20 0 GHADLP COc1cccc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)c1 ZINC001246538750 1037471176 /nfs/dbraw/zinc/47/11/76/1037471176.db2.gz NQKVSJZZWCFHSG-NFBKMPQASA-N 2 2 383.511 3.758 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2C[C@H](c4ccccc4)C4(C[NH2+]C4)C2)C3)cc1 ZINC001246617972 1037510423 /nfs/dbraw/zinc/51/04/23/1037510423.db2.gz FAHJDWUYBUZPBP-ZFFYZDHPSA-N 3 2 387.571 3.871 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2C[C@H](c4ccccc4)C4(C[NH2+]C4)C2)C3)cc1 ZINC001246617972 1037510437 /nfs/dbraw/zinc/51/04/37/1037510437.db2.gz FAHJDWUYBUZPBP-ZFFYZDHPSA-N 3 2 387.571 3.871 20 0 GHADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2C[C@H](c4ccccc4)C4(C[NH2+]C4)C2)C3)cc1 ZINC001246617972 1037510452 /nfs/dbraw/zinc/51/04/52/1037510452.db2.gz FAHJDWUYBUZPBP-ZFFYZDHPSA-N 3 2 387.571 3.871 20 0 GHADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2C[C@H](c4ccccc4)C4(C[NH2+]C4)C2)C3)cc1 ZINC001246617972 1037510470 /nfs/dbraw/zinc/51/04/70/1037510470.db2.gz FAHJDWUYBUZPBP-ZFFYZDHPSA-N 3 2 387.571 3.871 20 0 GHADLP Brc1ccc(C2CCC([N@@H+]3CC[C@@H]4[NH2+]CCO[C@H]4C3)CC2)cc1 ZINC001246634162 1037522270 /nfs/dbraw/zinc/52/22/70/1037522270.db2.gz PAYIOAIHVMORBC-FYOYPEGLSA-N 2 2 379.342 3.538 20 0 GHADLP Brc1ccc(C2CCC([N@H+]3CC[C@@H]4[NH2+]CCO[C@H]4C3)CC2)cc1 ZINC001246634162 1037522279 /nfs/dbraw/zinc/52/22/79/1037522279.db2.gz PAYIOAIHVMORBC-FYOYPEGLSA-N 2 2 379.342 3.538 20 0 GHADLP CC[C@H]1CC[C@H](C2CCC([N@@H+]3Cc4ncnn4C4(CC[NH2+]CC4)C3)CC2)CC1 ZINC001246648388 1037526260 /nfs/dbraw/zinc/52/62/60/1037526260.db2.gz XGBTVCGXWGYJHN-GOHCJOFJSA-N 2 2 385.600 3.948 20 0 GHADLP CC[C@H]1CC[C@H](C2CCC([N@H+]3Cc4ncnn4C4(CC[NH2+]CC4)C3)CC2)CC1 ZINC001246648388 1037526272 /nfs/dbraw/zinc/52/62/72/1037526272.db2.gz XGBTVCGXWGYJHN-GOHCJOFJSA-N 2 2 385.600 3.948 20 0 GHADLP CCCC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)CC[NH2+]1 ZINC001246702403 1037555443 /nfs/dbraw/zinc/55/54/43/1037555443.db2.gz OKFCVXDTQCOLPE-UXHICEINSA-N 3 2 391.625 3.726 20 0 GHADLP CCCC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)CC[NH2+]1 ZINC001246702403 1037555455 /nfs/dbraw/zinc/55/54/55/1037555455.db2.gz OKFCVXDTQCOLPE-UXHICEINSA-N 3 2 391.625 3.726 20 0 GHADLP c1cc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2CC[NH2+][C@H](Cc4ccccc4)C2)CC3)co1 ZINC001246749278 1037587159 /nfs/dbraw/zinc/58/71/59/1037587159.db2.gz BVNZKBFPRVHJDF-RPWUZVMVSA-N 3 2 393.575 3.931 20 0 GHADLP c1cc(C[N@@H+]2CCC3(C2)CC[NH+]([C@H]2CC[NH2+][C@H](Cc4ccccc4)C2)CC3)co1 ZINC001246749278 1037587161 /nfs/dbraw/zinc/58/71/61/1037587161.db2.gz BVNZKBFPRVHJDF-RPWUZVMVSA-N 3 2 393.575 3.931 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1C ZINC001462201948 1070079535 /nfs/dbraw/zinc/07/95/35/1070079535.db2.gz LAVHCELJUWDHEK-FCHUYYIVSA-N 2 2 375.472 3.997 20 0 GHADLP CC(=O)Oc1ccc(C2CCC([N@H+]3C[C@H](C(F)(F)F)C[C@H]([NH3+])C3)CC2)cc1 ZINC001246827867 1037660927 /nfs/dbraw/zinc/66/09/27/1037660927.db2.gz SWQLUKVIKFFCKG-MKFDVMFOSA-N 2 2 384.442 3.850 20 0 GHADLP CC(=O)Oc1ccc(C2CCC([N@@H+]3C[C@H](C(F)(F)F)C[C@H]([NH3+])C3)CC2)cc1 ZINC001246827867 1037660940 /nfs/dbraw/zinc/66/09/40/1037660940.db2.gz SWQLUKVIKFFCKG-MKFDVMFOSA-N 2 2 384.442 3.850 20 0 GHADLP FC(F)(F)[C@@H]1C[N@H+](Cc2ccccc2)CCN1C1CCC2(CC[NH2+]C2)CC1 ZINC001246996719 1037821343 /nfs/dbraw/zinc/82/13/43/1037821343.db2.gz ZKFNCGCBQJPFLV-GPJFCIFZSA-N 2 2 381.486 3.657 20 0 GHADLP FC(F)(F)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C1CCC2(CC[NH2+]C2)CC1 ZINC001246996719 1037821360 /nfs/dbraw/zinc/82/13/60/1037821360.db2.gz ZKFNCGCBQJPFLV-GPJFCIFZSA-N 2 2 381.486 3.657 20 0 GHADLP CC(=O)Nc1nc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)cs1 ZINC001232284921 1038018770 /nfs/dbraw/zinc/01/87/70/1038018770.db2.gz TZWWZUDQVYBDQV-SFHVURJKSA-N 2 2 388.537 3.571 20 0 GHADLP CC(=O)Nc1nc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cs1 ZINC001232284921 1038018784 /nfs/dbraw/zinc/01/87/84/1038018784.db2.gz TZWWZUDQVYBDQV-SFHVURJKSA-N 2 2 388.537 3.571 20 0 GHADLP COc1ccc(OCc2ccccc2)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001232377464 1038151972 /nfs/dbraw/zinc/15/19/72/1038151972.db2.gz ZPNDPAAHECNQAL-UHFFFAOYSA-N 2 2 389.499 3.991 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3ccc(Br)cc3Cl)no2)cc1 ZINC001247697967 1038337736 /nfs/dbraw/zinc/33/77/36/1038337736.db2.gz DUJCPBGDUKLALY-AWEZNQCLSA-N 2 2 393.672 3.778 20 0 GHADLP Clc1ccc(Br)c(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c1 ZINC001247858662 1038429713 /nfs/dbraw/zinc/42/97/13/1038429713.db2.gz HKDUMPBILSNHLJ-ZDUSSCGKSA-N 2 2 397.704 3.699 20 0 GHADLP Cc1cc(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)cc(C)c1Br ZINC001247862416 1038433593 /nfs/dbraw/zinc/43/35/93/1038433593.db2.gz VXSZKSNLKGTHOB-AWEZNQCLSA-N 2 2 391.313 3.663 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2c(Cl)c3ccccc3n(C)c2=O)C1 ZINC001232646587 1038433990 /nfs/dbraw/zinc/43/39/90/1038433990.db2.gz GCJOUYWOFOOKRZ-OAHLLOKOSA-N 2 2 383.879 3.549 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2c(Cl)c3ccccc3n(C)c2=O)C1 ZINC001232646587 1038433995 /nfs/dbraw/zinc/43/39/95/1038433995.db2.gz GCJOUYWOFOOKRZ-OAHLLOKOSA-N 2 2 383.879 3.549 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3[nH]nc4cc(F)ccc43)C[C@@H]21 ZINC001233124725 1038910664 /nfs/dbraw/zinc/91/06/64/1038910664.db2.gz OMLKRPLGXLKIFF-NIJIEXERSA-N 2 2 393.510 3.830 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3[nH]nc4cc(F)ccc43)C[C@@H]21 ZINC001233124725 1038910666 /nfs/dbraw/zinc/91/06/66/1038910666.db2.gz OMLKRPLGXLKIFF-NIJIEXERSA-N 2 2 393.510 3.830 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3[nH]nc4cc(F)ccc43)C[C@@H]21 ZINC001233124725 1038910673 /nfs/dbraw/zinc/91/06/73/1038910673.db2.gz OMLKRPLGXLKIFF-NIJIEXERSA-N 2 2 393.510 3.830 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3[nH]nc4cc(F)ccc43)C[C@@H]21 ZINC001233124725 1038910679 /nfs/dbraw/zinc/91/06/79/1038910679.db2.gz OMLKRPLGXLKIFF-NIJIEXERSA-N 2 2 393.510 3.830 20 0 GHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H](O)COc1cccc2ccccc21 ZINC001252385685 1038970568 /nfs/dbraw/zinc/97/05/68/1038970568.db2.gz CZJBEFKGHYCVGC-JOCHJYFZSA-N 2 2 387.483 3.897 20 0 GHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H](O)COc1cccc2ccccc21 ZINC001252385685 1038970575 /nfs/dbraw/zinc/97/05/75/1038970575.db2.gz CZJBEFKGHYCVGC-JOCHJYFZSA-N 2 2 387.483 3.897 20 0 GHADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC001233295064 1039083369 /nfs/dbraw/zinc/08/33/69/1039083369.db2.gz KFGSXENXUVSXMS-UHFFFAOYSA-N 2 2 395.478 3.882 20 0 GHADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC001233295064 1039083386 /nfs/dbraw/zinc/08/33/86/1039083386.db2.gz KFGSXENXUVSXMS-UHFFFAOYSA-N 2 2 395.478 3.882 20 0 GHADLP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc(Cl)o4)CC3)C2)c1 ZINC001233315472 1039107592 /nfs/dbraw/zinc/10/75/92/1039107592.db2.gz MGUCKNQDHXLCHU-UHFFFAOYSA-N 2 2 390.911 3.809 20 0 GHADLP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(Cl)o4)CC3)C2)c1 ZINC001233315472 1039107607 /nfs/dbraw/zinc/10/76/07/1039107607.db2.gz MGUCKNQDHXLCHU-UHFFFAOYSA-N 2 2 390.911 3.809 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]cc2-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC001252925500 1039264469 /nfs/dbraw/zinc/26/44/69/1039264469.db2.gz BTFLVXXTTPUAFP-UHFFFAOYSA-N 2 2 389.381 3.569 20 0 GHADLP Cc1c(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cccc1C(F)(F)F ZINC001252945796 1039290046 /nfs/dbraw/zinc/29/00/46/1039290046.db2.gz IOCHRYGXIBDZKH-HXUWFJFHSA-N 2 2 378.438 3.740 20 0 GHADLP Cc1c(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cccc1C(F)(F)F ZINC001252945796 1039290052 /nfs/dbraw/zinc/29/00/52/1039290052.db2.gz IOCHRYGXIBDZKH-HXUWFJFHSA-N 2 2 378.438 3.740 20 0 GHADLP O[C@@H](C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccc(F)c(F)c1 ZINC001253360773 1039573317 /nfs/dbraw/zinc/57/33/17/1039573317.db2.gz KUYQLSPNQPIQFQ-XZOQPEGZSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@@H](C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccc(F)c(F)c1 ZINC001253360773 1039573325 /nfs/dbraw/zinc/57/33/25/1039573325.db2.gz KUYQLSPNQPIQFQ-XZOQPEGZSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@@H](C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(F)c(F)c1 ZINC001253360773 1039573332 /nfs/dbraw/zinc/57/33/32/1039573332.db2.gz KUYQLSPNQPIQFQ-XZOQPEGZSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@@H](C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccc(F)c(F)c1 ZINC001253360773 1039573342 /nfs/dbraw/zinc/57/33/42/1039573342.db2.gz KUYQLSPNQPIQFQ-XZOQPEGZSA-N 2 2 386.486 3.986 20 0 GHADLP COc1cc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)ccc1-n1cc[nH+]c1 ZINC001234032186 1039774496 /nfs/dbraw/zinc/77/44/96/1039774496.db2.gz HSTAAVIAYFRMNJ-UHFFFAOYSA-N 2 2 376.504 3.820 20 0 GHADLP CCOC[C@@H]1COCCC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)c(OC)c1)CC2 ZINC001234057923 1039792807 /nfs/dbraw/zinc/79/28/07/1039792807.db2.gz FIDATXDPGFPKCH-HXUWFJFHSA-N 2 2 399.535 3.536 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cc(C)ccc1C ZINC001234558360 1040128007 /nfs/dbraw/zinc/12/80/07/1040128007.db2.gz JTJCXTVGGDUWOO-IRLDBZIGSA-N 2 2 386.584 3.564 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cc(C)ccc1C ZINC001234558360 1040128016 /nfs/dbraw/zinc/12/80/16/1040128016.db2.gz JTJCXTVGGDUWOO-IRLDBZIGSA-N 2 2 386.584 3.564 20 0 GHADLP CCC[C@H](CCc1ccccc1)[N@@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001254492352 1040276415 /nfs/dbraw/zinc/27/64/15/1040276415.db2.gz GGMHLWMJLGEWBC-RPWUZVMVSA-N 2 2 388.596 3.849 20 0 GHADLP CCC[C@H](CCc1ccccc1)[N@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001254492352 1040276435 /nfs/dbraw/zinc/27/64/35/1040276435.db2.gz GGMHLWMJLGEWBC-RPWUZVMVSA-N 2 2 388.596 3.849 20 0 GHADLP CCC[C@H](CCc1ccccc1)[NH+]1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001254492352 1040276453 /nfs/dbraw/zinc/27/64/53/1040276453.db2.gz GGMHLWMJLGEWBC-RPWUZVMVSA-N 2 2 388.596 3.849 20 0 GHADLP CCC[C@H](CCc1ccccc1)[NH+]1CCC[C@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001254492352 1040276470 /nfs/dbraw/zinc/27/64/70/1040276470.db2.gz GGMHLWMJLGEWBC-RPWUZVMVSA-N 2 2 388.596 3.849 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001234797526 1040328552 /nfs/dbraw/zinc/32/85/52/1040328552.db2.gz RTRXJPAAXRQBKF-UHFFFAOYSA-N 2 2 396.531 3.970 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001234797526 1040328574 /nfs/dbraw/zinc/32/85/74/1040328574.db2.gz RTRXJPAAXRQBKF-UHFFFAOYSA-N 2 2 396.531 3.970 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](C1CCN(c3ccc(F)cc3)CC1)CC2 ZINC001254624865 1040400674 /nfs/dbraw/zinc/40/06/74/1040400674.db2.gz CIHSIJBNGGGCPL-UHFFFAOYSA-N 2 2 399.558 3.692 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](C1CCN(c3ccc(F)cc3)CC1)CC2 ZINC001254624865 1040400683 /nfs/dbraw/zinc/40/06/83/1040400683.db2.gz CIHSIJBNGGGCPL-UHFFFAOYSA-N 2 2 399.558 3.692 20 0 GHADLP COc1ccccc1Oc1cccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001235016196 1040504855 /nfs/dbraw/zinc/50/48/55/1040504855.db2.gz PZUVIWISXVKPQK-QHCPKHFHSA-N 2 2 382.504 3.690 20 0 GHADLP COc1ccccc1Oc1cccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001235016196 1040504873 /nfs/dbraw/zinc/50/48/73/1040504873.db2.gz PZUVIWISXVKPQK-QHCPKHFHSA-N 2 2 382.504 3.690 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1c[nH]c3cc(F)ccc13)CC2 ZINC001235018403 1040507518 /nfs/dbraw/zinc/50/75/18/1040507518.db2.gz IHCICDVFXQUSRN-UHFFFAOYSA-N 2 2 379.479 3.953 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1c[nH]c3cc(F)ccc13)CC2 ZINC001235018403 1040507530 /nfs/dbraw/zinc/50/75/30/1040507530.db2.gz IHCICDVFXQUSRN-UHFFFAOYSA-N 2 2 379.479 3.953 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC[C@@]1(C)O ZINC001235019931 1040510294 /nfs/dbraw/zinc/51/02/94/1040510294.db2.gz NNYAZQWOHFAAKM-KBXCAEBGSA-N 2 2 378.314 3.618 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC[C@@]1(C)O ZINC001235019931 1040510312 /nfs/dbraw/zinc/51/03/12/1040510312.db2.gz NNYAZQWOHFAAKM-KBXCAEBGSA-N 2 2 378.314 3.618 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC[C@]1(C)O ZINC001235019933 1040511042 /nfs/dbraw/zinc/51/10/42/1040511042.db2.gz NNYAZQWOHFAAKM-KDOFPFPSSA-N 2 2 378.314 3.618 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC[C@]1(C)O ZINC001235019933 1040511060 /nfs/dbraw/zinc/51/10/60/1040511060.db2.gz NNYAZQWOHFAAKM-KDOFPFPSSA-N 2 2 378.314 3.618 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 ZINC001254753304 1040514820 /nfs/dbraw/zinc/51/48/20/1040514820.db2.gz JFLFTCFTSGCYHC-QYZOEREBSA-N 2 2 377.573 3.582 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 ZINC001254753304 1040514836 /nfs/dbraw/zinc/51/48/36/1040514836.db2.gz JFLFTCFTSGCYHC-QYZOEREBSA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 ZINC001254753304 1040514854 /nfs/dbraw/zinc/51/48/54/1040514854.db2.gz JFLFTCFTSGCYHC-QYZOEREBSA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 ZINC001254753304 1040514868 /nfs/dbraw/zinc/51/48/68/1040514868.db2.gz JFLFTCFTSGCYHC-QYZOEREBSA-N 2 2 377.573 3.582 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]21 ZINC001254753300 1040515224 /nfs/dbraw/zinc/51/52/24/1040515224.db2.gz JFLFTCFTSGCYHC-CEXWTWQISA-N 2 2 377.573 3.582 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]21 ZINC001254753300 1040515240 /nfs/dbraw/zinc/51/52/40/1040515240.db2.gz JFLFTCFTSGCYHC-CEXWTWQISA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]21 ZINC001254753300 1040515251 /nfs/dbraw/zinc/51/52/51/1040515251.db2.gz JFLFTCFTSGCYHC-CEXWTWQISA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]21 ZINC001254753300 1040515265 /nfs/dbraw/zinc/51/52/65/1040515265.db2.gz JFLFTCFTSGCYHC-CEXWTWQISA-N 2 2 377.573 3.582 20 0 GHADLP Cc1ccc(I)cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235037131 1040531527 /nfs/dbraw/zinc/53/15/27/1040531527.db2.gz DVNULFXTQORGFC-QGZVFWFLSA-N 2 2 384.305 3.708 20 0 GHADLP Cc1ccc(I)cc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235037131 1040531547 /nfs/dbraw/zinc/53/15/47/1040531547.db2.gz DVNULFXTQORGFC-QGZVFWFLSA-N 2 2 384.305 3.708 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@@H+]([C@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254854708 1040598105 /nfs/dbraw/zinc/59/81/05/1040598105.db2.gz HIURPAQUQJMOPO-UGKGYDQZSA-N 2 2 377.573 3.726 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@H+]([C@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254854708 1040598123 /nfs/dbraw/zinc/59/81/23/1040598123.db2.gz HIURPAQUQJMOPO-UGKGYDQZSA-N 2 2 377.573 3.726 20 0 GHADLP COC(=O)c1cc(Br)ccc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235243171 1040724435 /nfs/dbraw/zinc/72/44/35/1040724435.db2.gz WINCMYLOSABXAV-GOSISDBHSA-N 2 2 395.341 3.590 20 0 GHADLP O[C@H](C[NH2+]C1Cc2ccccc2C1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001255016380 1040730554 /nfs/dbraw/zinc/73/05/54/1040730554.db2.gz RKBPGXFZGXYBDR-AREMUKBSSA-N 2 2 386.539 3.807 20 0 GHADLP c1nc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1Cc1ccncc1 ZINC001255133035 1040830636 /nfs/dbraw/zinc/83/06/36/1040830636.db2.gz OMGVWRTUAJGSAC-VILGAWFOSA-N 2 2 387.531 3.612 20 0 GHADLP c1nc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1Cc1ccncc1 ZINC001255133035 1040830656 /nfs/dbraw/zinc/83/06/56/1040830656.db2.gz OMGVWRTUAJGSAC-VILGAWFOSA-N 2 2 387.531 3.612 20 0 GHADLP Nc1c(Br)cccc1C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235356474 1040838007 /nfs/dbraw/zinc/83/80/07/1040838007.db2.gz YAUWKNXQSCUBRT-YLJYHZDGSA-N 2 2 386.337 3.610 20 0 GHADLP Nc1c(Br)cccc1C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235356474 1040838034 /nfs/dbraw/zinc/83/80/34/1040838034.db2.gz YAUWKNXQSCUBRT-YLJYHZDGSA-N 2 2 386.337 3.610 20 0 GHADLP c1ccc([C@]23CC[NH2+]C[C@@H]2C[N@H+](Cc2ccc(N4CCCCC4)nc2)CC3)cc1 ZINC001235369915 1040874361 /nfs/dbraw/zinc/87/43/61/1040874361.db2.gz NTRJINNUEGDLBX-ILBGXUMGSA-N 2 2 390.575 3.825 20 0 GHADLP c1ccc([C@]23CC[NH2+]C[C@@H]2C[N@@H+](Cc2ccc(N4CCCCC4)nc2)CC3)cc1 ZINC001235369915 1040874384 /nfs/dbraw/zinc/87/43/84/1040874384.db2.gz NTRJINNUEGDLBX-ILBGXUMGSA-N 2 2 390.575 3.825 20 0 GHADLP COC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235379630 1040899234 /nfs/dbraw/zinc/89/92/34/1040899234.db2.gz IIOXCZDVDAIUAW-OFNKIYASSA-N 2 2 398.934 3.880 20 0 GHADLP COC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235379630 1040899244 /nfs/dbraw/zinc/89/92/44/1040899244.db2.gz IIOXCZDVDAIUAW-OFNKIYASSA-N 2 2 398.934 3.880 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1OCc1ccccc1 ZINC001235399753 1040913559 /nfs/dbraw/zinc/91/35/59/1040913559.db2.gz BCCHCHKULRDEIN-GOTSBHOMSA-N 2 2 384.495 3.798 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1OCc1ccccc1 ZINC001235399753 1040913562 /nfs/dbraw/zinc/91/35/62/1040913562.db2.gz BCCHCHKULRDEIN-GOTSBHOMSA-N 2 2 384.495 3.798 20 0 GHADLP Cn1cnc2c1cc(C1CC[NH+](C[C@H]3CCCC[NH2+]3)CC1)nc2-c1ccccc1 ZINC001235486357 1040958179 /nfs/dbraw/zinc/95/81/79/1040958179.db2.gz AVWXBNOJLYKAGD-HXUWFJFHSA-N 2 2 389.547 3.957 20 0 GHADLP FC(F)(F)c1cc(CN2CC[NH+](C3CC[NH2+]CC3)CC2)cc(C(F)(F)F)c1 ZINC001235697866 1041176465 /nfs/dbraw/zinc/17/64/65/1041176465.db2.gz BVLBGNRNAUTSEO-UHFFFAOYSA-N 2 2 395.391 3.594 20 0 GHADLP CCNc1cc(CNC(=O)N(C)C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC001255622229 1041176557 /nfs/dbraw/zinc/17/65/57/1041176557.db2.gz VHYACRTUBGXQDF-NRFANRHFSA-N 2 2 395.551 3.710 20 0 GHADLP CCNc1cc(CNC(=O)N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC001255622229 1041176562 /nfs/dbraw/zinc/17/65/62/1041176562.db2.gz VHYACRTUBGXQDF-NRFANRHFSA-N 2 2 395.551 3.710 20 0 GHADLP COCCC[N@H+](Cc1c[nH]c2cc(F)c(Br)cc12)[C@@H]1CCC[NH2+]C1 ZINC001235809509 1041319406 /nfs/dbraw/zinc/31/94/06/1041319406.db2.gz KIWBGLGYOGMCHB-CQSZACIVSA-N 2 2 398.320 3.660 20 0 GHADLP COCCC[N@@H+](Cc1c[nH]c2cc(F)c(Br)cc12)[C@@H]1CCC[NH2+]C1 ZINC001235809509 1041319414 /nfs/dbraw/zinc/31/94/14/1041319414.db2.gz KIWBGLGYOGMCHB-CQSZACIVSA-N 2 2 398.320 3.660 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235841693 1041368867 /nfs/dbraw/zinc/36/88/67/1041368867.db2.gz HMARSGICCIOFSM-NSHDSACASA-N 2 2 384.307 3.693 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235841693 1041368879 /nfs/dbraw/zinc/36/88/79/1041368879.db2.gz HMARSGICCIOFSM-NSHDSACASA-N 2 2 384.307 3.693 20 0 GHADLP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccc(F)cc3)CC2)c1 ZINC001255880083 1041372469 /nfs/dbraw/zinc/37/24/69/1041372469.db2.gz OYJXGVKIVVHWHR-KRWDZBQOSA-N 2 2 384.495 3.798 20 0 GHADLP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001255915238 1041398198 /nfs/dbraw/zinc/39/81/98/1041398198.db2.gz LFIBLTTYUKJGAN-NRFANRHFSA-N 2 2 387.568 3.982 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001255915238 1041398206 /nfs/dbraw/zinc/39/82/06/1041398206.db2.gz LFIBLTTYUKJGAN-NRFANRHFSA-N 2 2 387.568 3.982 20 0 GHADLP Cc1ccc(S(=O)(=O)c2ccccc2C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC001235884078 1041410654 /nfs/dbraw/zinc/41/06/54/1041410654.db2.gz SKFCYOYKBOHLIJ-JOCHJYFZSA-N 2 2 398.572 3.792 20 0 GHADLP Cc1ccc(-c2noc(C3CC[NH+](C[C@H]([NH3+])Cc4ccccc4)CC3)n2)cc1 ZINC001235935486 1041439735 /nfs/dbraw/zinc/43/97/35/1041439735.db2.gz VEYYLKDSOJIRSE-OAQYLSRUSA-N 2 2 376.504 3.794 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(C[C@@H](OCc3csc(C)n3)CO2)CC1 ZINC001255961248 1041439915 /nfs/dbraw/zinc/43/99/15/1041439915.db2.gz LPOKOPIXDYAKRD-FXAWDEMLSA-N 2 2 395.613 3.712 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001255962084 1041441333 /nfs/dbraw/zinc/44/13/33/1041441333.db2.gz FYDUXUHHZBXYRG-ACIOBRDBSA-N 2 2 389.584 3.590 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001255962084 1041441348 /nfs/dbraw/zinc/44/13/48/1041441348.db2.gz FYDUXUHHZBXYRG-ACIOBRDBSA-N 2 2 389.584 3.590 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001255970225 1041449107 /nfs/dbraw/zinc/44/91/07/1041449107.db2.gz ANJRPNXVGXZZQZ-HRCADAONSA-N 2 2 395.510 3.884 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001255970225 1041449109 /nfs/dbraw/zinc/44/91/09/1041449109.db2.gz ANJRPNXVGXZZQZ-HRCADAONSA-N 2 2 395.510 3.884 20 0 GHADLP C[N@@H+](Cc1ccc(Br)cc1OC(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC001235957302 1041464354 /nfs/dbraw/zinc/46/43/54/1041464354.db2.gz MNUWUBUKFINPMQ-LLVKDONJSA-N 2 2 381.236 3.779 20 0 GHADLP C[N@H+](Cc1ccc(Br)cc1OC(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC001235957302 1041464365 /nfs/dbraw/zinc/46/43/65/1041464365.db2.gz MNUWUBUKFINPMQ-LLVKDONJSA-N 2 2 381.236 3.779 20 0 GHADLP Cc1sc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1Br ZINC001236008229 1041500571 /nfs/dbraw/zinc/50/05/71/1041500571.db2.gz BWMYTWTUIJQDKY-QAPCUYQASA-N 2 2 377.351 3.792 20 0 GHADLP Cc1sc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1Br ZINC001236008229 1041500587 /nfs/dbraw/zinc/50/05/87/1041500587.db2.gz BWMYTWTUIJQDKY-QAPCUYQASA-N 2 2 377.351 3.792 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC001256069944 1041505787 /nfs/dbraw/zinc/50/57/87/1041505787.db2.gz QIZKMPYOEUJPMG-OCDPCBSRSA-N 2 2 390.597 3.543 20 0 GHADLP c1ccc(COc2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)ccn2)cc1 ZINC001236016198 1041508893 /nfs/dbraw/zinc/50/88/93/1041508893.db2.gz OQPSYRZLJKVVFI-NOZRDPDXSA-N 2 2 385.511 3.634 20 0 GHADLP c1ccc(COc2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)ccn2)cc1 ZINC001236016198 1041508896 /nfs/dbraw/zinc/50/88/96/1041508896.db2.gz OQPSYRZLJKVVFI-NOZRDPDXSA-N 2 2 385.511 3.634 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@@H+]2C2CC[NH+](C3CC3)CC2)CC1 ZINC001256075851 1041510169 /nfs/dbraw/zinc/51/01/69/1041510169.db2.gz SPYWWLDUCLLJLM-QFIPXVFZSA-N 2 2 377.573 3.869 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+]2C2CC[NH+](C3CC3)CC2)CC1 ZINC001256075851 1041510175 /nfs/dbraw/zinc/51/01/75/1041510175.db2.gz SPYWWLDUCLLJLM-QFIPXVFZSA-N 2 2 377.573 3.869 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+]([C@H]4CCC[C@H](c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001256114537 1041539563 /nfs/dbraw/zinc/53/95/63/1041539563.db2.gz FMOHAHXCUNGKHE-KIHHCIJBSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+]([C@H]4CCC[C@H](c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001256114537 1041539590 /nfs/dbraw/zinc/53/95/90/1041539590.db2.gz FMOHAHXCUNGKHE-KIHHCIJBSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+]([C@H]4CCC[C@H](c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001256114537 1041539598 /nfs/dbraw/zinc/53/95/98/1041539598.db2.gz FMOHAHXCUNGKHE-KIHHCIJBSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+]([C@H]4CCC[C@H](c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001256114537 1041539629 /nfs/dbraw/zinc/53/96/29/1041539629.db2.gz FMOHAHXCUNGKHE-KIHHCIJBSA-N 2 2 378.564 3.900 20 0 GHADLP C[C@@H]([C@H](Oc1ccccc1)c1ccccc1)[N@H+](C)Cc1cnc2n1CC[NH2+]C2 ZINC001236161747 1041584186 /nfs/dbraw/zinc/58/41/86/1041584186.db2.gz RZIKAKOTFXPVMZ-MBSDFSHPSA-N 2 2 376.504 3.627 20 0 GHADLP C[C@@H]([C@H](Oc1ccccc1)c1ccccc1)[N@@H+](C)Cc1cnc2n1CC[NH2+]C2 ZINC001236161747 1041584203 /nfs/dbraw/zinc/58/42/03/1041584203.db2.gz RZIKAKOTFXPVMZ-MBSDFSHPSA-N 2 2 376.504 3.627 20 0 GHADLP COc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc(OC)c1OCc1ccccc1 ZINC001236219359 1041627140 /nfs/dbraw/zinc/62/71/40/1041627140.db2.gz VLFDEHVOZFKQQV-VQTJNVASSA-N 2 2 384.520 3.985 20 0 GHADLP COc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc(OC)c1OCc1ccccc1 ZINC001236219359 1041627141 /nfs/dbraw/zinc/62/71/41/1041627141.db2.gz VLFDEHVOZFKQQV-VQTJNVASSA-N 2 2 384.520 3.985 20 0 GHADLP Brc1ccc(C[N@H+](Cc2cccc3nccn32)C2CC[NH2+]CC2)cc1 ZINC001236377587 1041688387 /nfs/dbraw/zinc/68/83/87/1041688387.db2.gz AJHZOQLEEDCHKP-UHFFFAOYSA-N 2 2 399.336 3.851 20 0 GHADLP Brc1ccc(C[N@@H+](Cc2cccc3nccn32)C2CC[NH2+]CC2)cc1 ZINC001236377587 1041688390 /nfs/dbraw/zinc/68/83/90/1041688390.db2.gz AJHZOQLEEDCHKP-UHFFFAOYSA-N 2 2 399.336 3.851 20 0 GHADLP Brc1ccc(CN(Cc2cccc3[nH+]ccn32)C2CC[NH2+]CC2)cc1 ZINC001236377587 1041688394 /nfs/dbraw/zinc/68/83/94/1041688394.db2.gz AJHZOQLEEDCHKP-UHFFFAOYSA-N 2 2 399.336 3.851 20 0 GHADLP CC[N@@H+](Cc1cc(Br)cc(Br)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236410200 1041705408 /nfs/dbraw/zinc/70/54/08/1041705408.db2.gz GCGRAVSFIWQUIC-SNVBAGLBSA-N 2 2 394.126 3.782 20 0 GHADLP CC[N@H+](Cc1cc(Br)cc(Br)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236410200 1041705416 /nfs/dbraw/zinc/70/54/16/1041705416.db2.gz GCGRAVSFIWQUIC-SNVBAGLBSA-N 2 2 394.126 3.782 20 0 GHADLP Clc1ccccc1C[N@H+](Cc1cccc(N2CC[NH2+]CC2)c1)C1CC[NH2+]CC1 ZINC001236449513 1041717727 /nfs/dbraw/zinc/71/77/27/1041717727.db2.gz KXBODTGYHPWBNA-UHFFFAOYSA-N 3 2 398.982 3.504 20 0 GHADLP Clc1ccccc1C[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)C1CC[NH2+]CC1 ZINC001236449513 1041717732 /nfs/dbraw/zinc/71/77/32/1041717732.db2.gz KXBODTGYHPWBNA-UHFFFAOYSA-N 3 2 398.982 3.504 20 0 GHADLP CCOCC[N@H+](Cc1cc(OC)ccc1OCc1ccccc1)C1CC[NH2+]CC1 ZINC001236460623 1041723601 /nfs/dbraw/zinc/72/36/01/1041723601.db2.gz GLZQWXDAELCAEZ-UHFFFAOYSA-N 2 2 398.547 3.865 20 0 GHADLP CCOCC[N@@H+](Cc1cc(OC)ccc1OCc1ccccc1)C1CC[NH2+]CC1 ZINC001236460623 1041723608 /nfs/dbraw/zinc/72/36/08/1041723608.db2.gz GLZQWXDAELCAEZ-UHFFFAOYSA-N 2 2 398.547 3.865 20 0 GHADLP COC(=O)c1cccc(C[N@H+](Cc2ccc(F)c(F)c2C)C2CC[NH2+]CC2)c1 ZINC001236465821 1041728412 /nfs/dbraw/zinc/72/84/12/1041728412.db2.gz DTXAXDYBQDMSOU-UHFFFAOYSA-N 2 2 388.458 3.814 20 0 GHADLP COC(=O)c1cccc(C[N@@H+](Cc2ccc(F)c(F)c2C)C2CC[NH2+]CC2)c1 ZINC001236465821 1041728417 /nfs/dbraw/zinc/72/84/17/1041728417.db2.gz DTXAXDYBQDMSOU-UHFFFAOYSA-N 2 2 388.458 3.814 20 0 GHADLP O=c1ccc2c(C[N@H+](Cc3ccc(F)c(F)c3)C3CC[NH2+]CC3)ccc(O)c2[nH]1 ZINC001236504330 1041743582 /nfs/dbraw/zinc/74/35/82/1041743582.db2.gz JRESRPJGLDLXRF-UHFFFAOYSA-N 2 2 399.441 3.678 20 0 GHADLP O=c1ccc2c(C[N@@H+](Cc3ccc(F)c(F)c3)C3CC[NH2+]CC3)ccc(O)c2[nH]1 ZINC001236504330 1041743586 /nfs/dbraw/zinc/74/35/86/1041743586.db2.gz JRESRPJGLDLXRF-UHFFFAOYSA-N 2 2 399.441 3.678 20 0 GHADLP CC(C)c1ccc(CN2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c(Br)c1 ZINC001236624099 1041789904 /nfs/dbraw/zinc/78/99/04/1041789904.db2.gz YUBPNEKGTFINFS-QGZVFWFLSA-N 2 2 380.374 3.570 20 0 GHADLP CC(C)c1ccc(CN2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c(Br)c1 ZINC001236624099 1041789906 /nfs/dbraw/zinc/78/99/06/1041789906.db2.gz YUBPNEKGTFINFS-QGZVFWFLSA-N 2 2 380.374 3.570 20 0 GHADLP COc1cc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cc(Br)c1O ZINC001236649693 1041802553 /nfs/dbraw/zinc/80/25/53/1041802553.db2.gz YWLWJGFWIVFDGA-OAHLLOKOSA-N 2 2 383.330 3.660 20 0 GHADLP COc1cc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cc(Br)c1O ZINC001236649693 1041802559 /nfs/dbraw/zinc/80/25/59/1041802559.db2.gz YWLWJGFWIVFDGA-OAHLLOKOSA-N 2 2 383.330 3.660 20 0 GHADLP COc1ccc2sc(C[N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)cc2c1 ZINC001236656365 1041806859 /nfs/dbraw/zinc/80/68/59/1041806859.db2.gz BEUFEDJECVQLEG-KDURUIRLSA-N 2 2 379.529 3.869 20 0 GHADLP COc1ccc2sc(C[N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)cc2c1 ZINC001236656365 1041806863 /nfs/dbraw/zinc/80/68/63/1041806863.db2.gz BEUFEDJECVQLEG-KDURUIRLSA-N 2 2 379.529 3.869 20 0 GHADLP COc1ccc2sc(C[NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)cc2c1 ZINC001236656365 1041806867 /nfs/dbraw/zinc/80/68/67/1041806867.db2.gz BEUFEDJECVQLEG-KDURUIRLSA-N 2 2 379.529 3.869 20 0 GHADLP COc1ccc2sc(C[NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)cc2c1 ZINC001236656365 1041806872 /nfs/dbraw/zinc/80/68/72/1041806872.db2.gz BEUFEDJECVQLEG-KDURUIRLSA-N 2 2 379.529 3.869 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](Cc3cccc4occc43)CC2)C1 ZINC001236747406 1041870972 /nfs/dbraw/zinc/87/09/72/1041870972.db2.gz WRCWCRXGQYNZLN-SFHVURJKSA-N 2 2 399.535 3.996 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CC[NH+](Cc3cccc4occc43)CC2)C1 ZINC001236747406 1041870980 /nfs/dbraw/zinc/87/09/80/1041870980.db2.gz WRCWCRXGQYNZLN-SFHVURJKSA-N 2 2 399.535 3.996 20 0 GHADLP CC[C@@H]1[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCC[C@]12CCC(=O)N2C ZINC001236916112 1041956678 /nfs/dbraw/zinc/95/66/78/1041956678.db2.gz AMHWYYKFXLUOOF-FPOVZHCZSA-N 2 2 386.927 3.891 20 0 GHADLP CC[C@@H]1[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCC[C@]12CCC(=O)N2C ZINC001236916112 1041956680 /nfs/dbraw/zinc/95/66/80/1041956680.db2.gz AMHWYYKFXLUOOF-FPOVZHCZSA-N 2 2 386.927 3.891 20 0 GHADLP COCCC[N@H+](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)[C@H]1CC[NH2+]C1 ZINC001236945459 1041966650 /nfs/dbraw/zinc/96/66/50/1041966650.db2.gz FYPOBDOGHYBQRB-NRFANRHFSA-N 2 2 393.531 3.947 20 0 GHADLP COCCC[N@@H+](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)[C@H]1CC[NH2+]C1 ZINC001236945459 1041966652 /nfs/dbraw/zinc/96/66/52/1041966652.db2.gz FYPOBDOGHYBQRB-NRFANRHFSA-N 2 2 393.531 3.947 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cc(O)cc4ccccc42)CC3)cn1 ZINC001237068683 1042019701 /nfs/dbraw/zinc/01/97/01/1042019701.db2.gz JFVBWFLCYKGYQH-UHFFFAOYSA-N 2 2 390.531 3.910 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cc(O)cc4ccccc42)CC3)cn1 ZINC001237068683 1042019706 /nfs/dbraw/zinc/01/97/06/1042019706.db2.gz JFVBWFLCYKGYQH-UHFFFAOYSA-N 2 2 390.531 3.910 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC001237083862 1042028740 /nfs/dbraw/zinc/02/87/40/1042028740.db2.gz YZVCNVVKCNOQOQ-QHCPKHFHSA-N 2 2 384.520 3.844 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC001237083862 1042028750 /nfs/dbraw/zinc/02/87/50/1042028750.db2.gz YZVCNVVKCNOQOQ-QHCPKHFHSA-N 2 2 384.520 3.844 20 0 GHADLP CCN(C(=O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC001462587072 1070391428 /nfs/dbraw/zinc/39/14/28/1070391428.db2.gz PKLWRRVBTGDSAS-NZQKXSOJSA-N 2 2 377.532 3.997 20 0 GHADLP CCN(C(=O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC001462587072 1070391444 /nfs/dbraw/zinc/39/14/44/1070391444.db2.gz PKLWRRVBTGDSAS-NZQKXSOJSA-N 2 2 377.532 3.997 20 0 GHADLP c1cnc(Oc2cccc(C[NH+]3CCC4(CC3)[NH2+]CCc3ccccc34)c2)nc1 ZINC001237276376 1042119527 /nfs/dbraw/zinc/11/95/27/1042119527.db2.gz INNIPBOAHPEFMA-UHFFFAOYSA-N 2 2 386.499 3.906 20 0 GHADLP C[C@H]([NH2+]C(CCc1ccccc1)CCc1ccccc1)[C@H]1C[N@H+](C)CCN1C ZINC001462596861 1070402181 /nfs/dbraw/zinc/40/21/81/1070402181.db2.gz SDIHWQLZFFRVJB-SQJMNOBHSA-N 2 2 379.592 3.845 20 0 GHADLP C[C@H]([NH2+]C(CCc1ccccc1)CCc1ccccc1)[C@H]1C[N@@H+](C)CCN1C ZINC001462596861 1070402186 /nfs/dbraw/zinc/40/21/86/1070402186.db2.gz SDIHWQLZFFRVJB-SQJMNOBHSA-N 2 2 379.592 3.845 20 0 GHADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cnc(-c4cccc(Cl)c4)cc3C)C[C@@H]2C1 ZINC001238531285 1042631158 /nfs/dbraw/zinc/63/11/58/1042631158.db2.gz BHMZZJUYZOOWTP-SIKLNZKXSA-N 2 2 385.939 3.863 20 0 GHADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3cnc(-c4cccc(Cl)c4)cc3C)C[C@@H]2C1 ZINC001238531285 1042631161 /nfs/dbraw/zinc/63/11/61/1042631161.db2.gz BHMZZJUYZOOWTP-SIKLNZKXSA-N 2 2 385.939 3.863 20 0 GHADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3cnc(-c4cccc(Cl)c4)cc3C)C[C@@H]2C1 ZINC001238531285 1042631163 /nfs/dbraw/zinc/63/11/63/1042631163.db2.gz BHMZZJUYZOOWTP-SIKLNZKXSA-N 2 2 385.939 3.863 20 0 GHADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cnc(-c4cccc(Cl)c4)cc3C)C[C@@H]2C1 ZINC001238531285 1042631165 /nfs/dbraw/zinc/63/11/65/1042631165.db2.gz BHMZZJUYZOOWTP-SIKLNZKXSA-N 2 2 385.939 3.863 20 0 GHADLP Cc1ccc(Cl)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)c1 ZINC001238558541 1042639672 /nfs/dbraw/zinc/63/96/72/1042639672.db2.gz UBQZMNCJOOHSNU-DYXWJJEUSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1ccc(Cl)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)c1 ZINC001238558541 1042639675 /nfs/dbraw/zinc/63/96/75/1042639675.db2.gz UBQZMNCJOOHSNU-DYXWJJEUSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1ccc(Cl)c(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)c1 ZINC001238558541 1042639678 /nfs/dbraw/zinc/63/96/78/1042639678.db2.gz UBQZMNCJOOHSNU-DYXWJJEUSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1ccc(Cl)c(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)c1 ZINC001238558541 1042639682 /nfs/dbraw/zinc/63/96/82/1042639682.db2.gz UBQZMNCJOOHSNU-DYXWJJEUSA-N 2 2 387.959 3.613 20 0 GHADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1C(F)(F)F ZINC001278290732 1042792783 /nfs/dbraw/zinc/79/27/83/1042792783.db2.gz KXXBKGJRACUVAF-IYBDPMFKSA-N 2 2 375.866 3.569 20 0 GHADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1C(F)(F)F ZINC001278290732 1042792789 /nfs/dbraw/zinc/79/27/89/1042792789.db2.gz KXXBKGJRACUVAF-IYBDPMFKSA-N 2 2 375.866 3.569 20 0 GHADLP CC1CCN(C(=O)c2cccc(-c3cccc(C[N@@H+]4CC[C@H]([NH3+])C4)c3)c2)CC1 ZINC001240110027 1042891971 /nfs/dbraw/zinc/89/19/71/1042891971.db2.gz OUROQUGXGNSWIL-QHCPKHFHSA-N 2 2 377.532 3.759 20 0 GHADLP CC1CCN(C(=O)c2cccc(-c3cccc(C[N@H+]4CC[C@H]([NH3+])C4)c3)c2)CC1 ZINC001240110027 1042891976 /nfs/dbraw/zinc/89/19/76/1042891976.db2.gz OUROQUGXGNSWIL-QHCPKHFHSA-N 2 2 377.532 3.759 20 0 GHADLP [NH3+][C@@H]1CCCN(c2cc(-c3ccn4cc[nH+]c4c3)nc(Oc3ccccc3)n2)C1 ZINC001240504106 1042936765 /nfs/dbraw/zinc/93/67/65/1042936765.db2.gz YYXJUWYJCVAAGA-QGZVFWFLSA-N 2 2 386.459 3.511 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC3CCOCC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC001256534622 1043470260 /nfs/dbraw/zinc/47/02/60/1043470260.db2.gz SWASBYKXYSDYTL-CTNGQTDRSA-N 2 2 395.547 3.782 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC3CCOCC3)n2)CC[N@H+]1Cc1ccccc1 ZINC001256534622 1043470267 /nfs/dbraw/zinc/47/02/67/1043470267.db2.gz SWASBYKXYSDYTL-CTNGQTDRSA-N 2 2 395.547 3.782 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CC(C)(CNC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256561423 1043536895 /nfs/dbraw/zinc/53/68/95/1043536895.db2.gz XSWUJHSNQRWSIE-QUCCMNQESA-N 2 2 387.568 3.886 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CC(C)(CNC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256561423 1043536903 /nfs/dbraw/zinc/53/69/03/1043536903.db2.gz XSWUJHSNQRWSIE-QUCCMNQESA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)C1CC[NH+](Cc2ccncc2)CC1 ZINC001256593442 1043558851 /nfs/dbraw/zinc/55/88/51/1043558851.db2.gz SDDAHLCPWIBFCJ-SQJMNOBHSA-N 2 2 392.591 3.888 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)C1CC[NH+](Cc2ccncc2)CC1 ZINC001256593442 1043558859 /nfs/dbraw/zinc/55/88/59/1043558859.db2.gz SDDAHLCPWIBFCJ-SQJMNOBHSA-N 2 2 392.591 3.888 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]12CC[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256606613 1043570750 /nfs/dbraw/zinc/57/07/50/1043570750.db2.gz ZAELAQGSNNKYJJ-HSZRJFAPSA-N 2 2 385.552 3.736 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]12CC[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256606613 1043570754 /nfs/dbraw/zinc/57/07/54/1043570754.db2.gz ZAELAQGSNNKYJJ-HSZRJFAPSA-N 2 2 385.552 3.736 20 0 GHADLP CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256613562 1043576717 /nfs/dbraw/zinc/57/67/17/1043576717.db2.gz PKPOPFDEEPSTLS-UHFFFAOYSA-N 2 2 375.557 3.840 20 0 GHADLP COc1cccc2c1CC[C@@H]([NH2+][C@H](C[NH3+])c1ccc(Br)cc1)C2 ZINC001256637375 1043586243 /nfs/dbraw/zinc/58/62/43/1043586243.db2.gz UJIYEFILOYQIIQ-SJLPKXTDSA-N 2 2 375.310 3.605 20 0 GHADLP c1ccc([C@@H]2C[C@@H](N(c3cccc[nH+]3)[C@@H]3COC4(C3)CC[NH2+]CC4)CCO2)cc1 ZINC001256813736 1043670322 /nfs/dbraw/zinc/67/03/22/1043670322.db2.gz LKEFGCJLOBOGEE-FKBYEOEOSA-N 2 2 393.531 3.719 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C2(CC2)C1 ZINC001256908959 1043735595 /nfs/dbraw/zinc/73/55/95/1043735595.db2.gz PFYSSYJVFBLRJT-PKOBYXMFSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C2(CC2)C1 ZINC001256908959 1043735596 /nfs/dbraw/zinc/73/55/96/1043735596.db2.gz PFYSSYJVFBLRJT-PKOBYXMFSA-N 2 2 377.573 3.773 20 0 GHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1C[C@H]2C[C@@H](C1)CN(C(=O)OC(C)(C)C)C2 ZINC001257841346 1044214955 /nfs/dbraw/zinc/21/49/55/1044214955.db2.gz OEIYREBJPJMTNK-GURQWTFNSA-N 2 2 379.589 3.732 20 0 GHADLP COc1ccc(C[NH+]2CCC([NH2+][C@@H]3COc4ccc(Cl)cc4C3)CC2)cc1 ZINC001257949380 1044267765 /nfs/dbraw/zinc/26/77/65/1044267765.db2.gz YVZYUEYGHOIYTC-FQEVSTJZSA-N 2 2 386.923 3.906 20 0 GHADLP COCC[N@H+](C)[C@H](CNC1CC[NH+](CC(C)C)CC1)c1ccc(Cl)cc1 ZINC001258012148 1044337896 /nfs/dbraw/zinc/33/78/96/1044337896.db2.gz TYEQOBYDMTWHAA-OAQYLSRUSA-N 2 2 381.992 3.669 20 0 GHADLP COCC[N@@H+](C)[C@H](CNC1CC[NH+](CC(C)C)CC1)c1ccc(Cl)cc1 ZINC001258012148 1044337914 /nfs/dbraw/zinc/33/79/14/1044337914.db2.gz TYEQOBYDMTWHAA-OAQYLSRUSA-N 2 2 381.992 3.669 20 0 GHADLP Cc1cccc(CN2CC[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC001258137037 1044422466 /nfs/dbraw/zinc/42/24/66/1044422466.db2.gz BLDKGOISAMGSNG-VWLOTQADSA-N 2 2 377.576 3.866 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)CC12CC2 ZINC001258140786 1044427299 /nfs/dbraw/zinc/42/72/99/1044427299.db2.gz IKFVBAPNCHMMGP-OAQYLSRUSA-N 2 2 399.579 3.683 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C2CC[NH+](CCc3ccccc3)CC2)CC12CC2 ZINC001258140786 1044427304 /nfs/dbraw/zinc/42/73/04/1044427304.db2.gz IKFVBAPNCHMMGP-OAQYLSRUSA-N 2 2 399.579 3.683 20 0 GHADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C[C@@H](C)C1 ZINC001258156789 1044444958 /nfs/dbraw/zinc/44/49/58/1044444958.db2.gz RXRIMUDLRCUZAZ-CUDHKJQZSA-N 2 2 379.589 3.875 20 0 GHADLP C[C@H](Cc1ccco1)[NH2+]C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001258178739 1044456132 /nfs/dbraw/zinc/45/61/32/1044456132.db2.gz LEJBMDGPWJOUHN-OFNKIYASSA-N 2 2 378.516 3.864 20 0 GHADLP Oc1cc(Cl)c(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c(Cl)c1 ZINC001279084358 1044479129 /nfs/dbraw/zinc/47/91/29/1044479129.db2.gz RHKMEMIMNPVFEW-UHFFFAOYSA-N 2 2 381.307 3.520 20 0 GHADLP CSC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258328872 1044507653 /nfs/dbraw/zinc/50/76/53/1044507653.db2.gz ZPWWSJJYFZPVCJ-SJLPKXTDSA-N 2 2 399.645 3.970 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCN(c3ccc(Br)cc3C)CC2)CC1 ZINC001258776718 1044761718 /nfs/dbraw/zinc/76/17/18/1044761718.db2.gz GLBVYBWHCQREJL-UHFFFAOYSA-N 2 2 380.374 3.754 20 0 GHADLP COc1cc(C[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1OC ZINC001258861697 1044802611 /nfs/dbraw/zinc/80/26/11/1044802611.db2.gz IBGAEWOGJBYYIU-MRXNPFEDSA-N 2 2 381.476 3.619 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551734871 1044959293 /nfs/dbraw/zinc/95/92/93/1044959293.db2.gz OWPIKXMUZALIPR-AZKGINQHSA-N 2 2 386.580 3.539 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551734871 1044959297 /nfs/dbraw/zinc/95/92/97/1044959297.db2.gz OWPIKXMUZALIPR-AZKGINQHSA-N 2 2 386.580 3.539 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[NH+]2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551734871 1044959299 /nfs/dbraw/zinc/95/92/99/1044959299.db2.gz OWPIKXMUZALIPR-AZKGINQHSA-N 2 2 386.580 3.539 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[NH+]2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551734871 1044959305 /nfs/dbraw/zinc/95/93/05/1044959305.db2.gz OWPIKXMUZALIPR-AZKGINQHSA-N 2 2 386.580 3.539 20 0 GHADLP Cc1cc2scc(CC(=O)Nc3cc(N4CC[NH+](C)CC4)cc[nH+]3)c2s1 ZINC001302317869 1046907260 /nfs/dbraw/zinc/90/72/60/1046907260.db2.gz FCRVVXVDEJRQDX-UHFFFAOYSA-N 2 2 386.546 3.599 20 0 GHADLP Brc1cc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)oc1Br ZINC000387916287 1047337449 /nfs/dbraw/zinc/33/74/49/1047337449.db2.gz ASZJMATVSRLQAZ-UHFFFAOYSA-N 2 2 392.135 3.770 20 0 GHADLP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3c(F)cc(Cl)cc3Cl)C[C@H]2CC1 ZINC001279404737 1047795522 /nfs/dbraw/zinc/79/55/22/1047795522.db2.gz BBXIBTZTBABUIX-GASCZTMLSA-N 2 2 388.358 3.838 20 0 GHADLP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3c(F)cc(Cl)cc3Cl)C[C@H]2CC1 ZINC001279404737 1047795526 /nfs/dbraw/zinc/79/55/26/1047795526.db2.gz BBXIBTZTBABUIX-GASCZTMLSA-N 2 2 388.358 3.838 20 0 GHADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccncc1Br)Cc1ccccc12 ZINC001279406171 1047796434 /nfs/dbraw/zinc/79/64/34/1047796434.db2.gz YDFNHRUYNLWLHU-UHFFFAOYSA-N 2 2 386.337 3.823 20 0 GHADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccncc1Br)Cc1ccccc12 ZINC001279406171 1047796442 /nfs/dbraw/zinc/79/64/42/1047796442.db2.gz YDFNHRUYNLWLHU-UHFFFAOYSA-N 2 2 386.337 3.823 20 0 GHADLP Brc1cccnc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2 ZINC001279551439 1047838564 /nfs/dbraw/zinc/83/85/64/1047838564.db2.gz NJHSJJFTQOXDTM-MOPGFXCFSA-N 2 2 389.341 3.897 20 0 GHADLP CC(C)CC[N@H+](CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1)C1CC1 ZINC001307413192 1049253765 /nfs/dbraw/zinc/25/37/65/1049253765.db2.gz LNELPYSAAXQGMX-UHFFFAOYSA-N 2 2 385.596 3.965 20 0 GHADLP CC(C)CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1)C1CC1 ZINC001307413192 1049253780 /nfs/dbraw/zinc/25/37/80/1049253780.db2.gz LNELPYSAAXQGMX-UHFFFAOYSA-N 2 2 385.596 3.965 20 0 GHADLP C[N@H+](Cc1cccc2c1OC(F)(F)O2)C1CC[NH+](CCc2ccccn2)CC1 ZINC001307516923 1049358854 /nfs/dbraw/zinc/35/88/54/1049358854.db2.gz MMPHZRWOYKHNLV-UHFFFAOYSA-N 2 2 389.446 3.542 20 0 GHADLP C[N@@H+](Cc1cccc2c1OC(F)(F)O2)C1CC[NH+](CCc2ccccn2)CC1 ZINC001307516923 1049358860 /nfs/dbraw/zinc/35/88/60/1049358860.db2.gz MMPHZRWOYKHNLV-UHFFFAOYSA-N 2 2 389.446 3.542 20 0 GHADLP CCOC(=O)[C@H](CCc1ccccc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001307676826 1049498669 /nfs/dbraw/zinc/49/86/69/1049498669.db2.gz QXNQKOSPALLFBW-QFIPXVFZSA-N 2 2 383.536 3.940 20 0 GHADLP Cc1ccc(C2([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)CCCCC2)c(Br)c1 ZINC001307861704 1049645697 /nfs/dbraw/zinc/64/56/97/1049645697.db2.gz YSPPKBQXWQMRDI-KRWDZBQOSA-N 2 2 395.385 3.962 20 0 GHADLP Cc1ccc(C2([NH2+]C[C@H](O)C[N@H+](C)C3CC3)CCCCC2)c(Br)c1 ZINC001307861704 1049645708 /nfs/dbraw/zinc/64/57/08/1049645708.db2.gz YSPPKBQXWQMRDI-KRWDZBQOSA-N 2 2 395.385 3.962 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC001308032082 1049782150 /nfs/dbraw/zinc/78/21/50/1049782150.db2.gz CAFUXWKABNHZSG-FQEVSTJZSA-N 2 2 384.524 3.861 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCOC34CCCC4)CC2)cc1 ZINC001308145387 1049883477 /nfs/dbraw/zinc/88/34/77/1049883477.db2.gz MQJRPTXLHZDXLF-HXUWFJFHSA-N 2 2 377.960 3.543 20 0 GHADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001308189438 1049906717 /nfs/dbraw/zinc/90/67/17/1049906717.db2.gz WLFBHAAMUVHJEL-GBESFXJTSA-N 2 2 379.564 3.897 20 0 GHADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001308189438 1049906722 /nfs/dbraw/zinc/90/67/22/1049906722.db2.gz WLFBHAAMUVHJEL-GBESFXJTSA-N 2 2 379.564 3.897 20 0 GHADLP Fc1ccc(CN2CCC([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CC2)cc1F ZINC001308208896 1049913752 /nfs/dbraw/zinc/91/37/52/1049913752.db2.gz GFIJIEOFVOYKSP-UHFFFAOYSA-N 2 2 388.487 3.966 20 0 GHADLP COc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(F)cc1Br ZINC001308217629 1049916103 /nfs/dbraw/zinc/91/61/03/1049916103.db2.gz HEVZXCDOODTPMJ-INIZCTEOSA-N 2 2 384.293 3.998 20 0 GHADLP C[C@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC001308230679 1049920277 /nfs/dbraw/zinc/92/02/77/1049920277.db2.gz CMEGCHXXBFOEFA-HUUCEWRRSA-N 2 2 381.483 3.542 20 0 GHADLP COc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(C)c1 ZINC001308249510 1049926365 /nfs/dbraw/zinc/92/63/65/1049926365.db2.gz FCUNOEJPIPRHCB-UHFFFAOYSA-N 2 2 387.955 3.959 20 0 GHADLP CCN1CCCC[C@H]1C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001308264239 1049930750 /nfs/dbraw/zinc/93/07/50/1049930750.db2.gz JICCRZZMYSVTLL-SFHVURJKSA-N 2 2 376.932 3.580 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cc(F)cc(C(F)(F)F)c3)[nH+]c2)C1 ZINC001308337987 1049952415 /nfs/dbraw/zinc/95/24/15/1049952415.db2.gz QPRCYYXVFJZGBJ-QGZVFWFLSA-N 2 2 382.405 3.992 20 0 GHADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(OC(F)F)ccc2Br)C1 ZINC001308748359 1050080495 /nfs/dbraw/zinc/08/04/95/1050080495.db2.gz SRLJRCSFCQJUAR-LRDDRELGSA-N 2 2 389.284 3.967 20 0 GHADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(OC(F)F)ccc2Br)C1 ZINC001308748359 1050080499 /nfs/dbraw/zinc/08/04/99/1050080499.db2.gz SRLJRCSFCQJUAR-LRDDRELGSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(OC(F)F)ccc2Br)C1 ZINC001308748359 1050080503 /nfs/dbraw/zinc/08/05/03/1050080503.db2.gz SRLJRCSFCQJUAR-LRDDRELGSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(OC(F)F)ccc2Br)C1 ZINC001308748359 1050080509 /nfs/dbraw/zinc/08/05/09/1050080509.db2.gz SRLJRCSFCQJUAR-LRDDRELGSA-N 2 2 389.284 3.967 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC001311576310 1052258325 /nfs/dbraw/zinc/25/83/25/1052258325.db2.gz MLYDUQPKALCFFN-NRFANRHFSA-N 2 2 395.551 3.751 20 0 GHADLP O=C([C@H]1CCCC[N@@H+]1Cc1cccnc1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001318370817 1054594234 /nfs/dbraw/zinc/59/42/34/1054594234.db2.gz YVISCXOPPWUBCJ-HSZRJFAPSA-N 2 2 398.595 3.551 20 0 GHADLP O=C([C@H]1CCCC[N@H+]1Cc1cccnc1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001318370817 1054594245 /nfs/dbraw/zinc/59/42/45/1054594245.db2.gz YVISCXOPPWUBCJ-HSZRJFAPSA-N 2 2 398.595 3.551 20 0 GHADLP O=C([C@H]1CCCC[NH+]1Cc1cccnc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001318370817 1054594258 /nfs/dbraw/zinc/59/42/58/1054594258.db2.gz YVISCXOPPWUBCJ-HSZRJFAPSA-N 2 2 398.595 3.551 20 0 GHADLP O=C([C@H]1CCCC[NH+]1Cc1cccnc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001318370817 1054594268 /nfs/dbraw/zinc/59/42/68/1054594268.db2.gz YVISCXOPPWUBCJ-HSZRJFAPSA-N 2 2 398.595 3.551 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC001318501665 1054681693 /nfs/dbraw/zinc/68/16/93/1054681693.db2.gz YOFJCTMXBRFUSD-UHFFFAOYSA-N 2 2 387.399 3.673 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(OCC(F)(F)F)cc1 ZINC001318552488 1054714499 /nfs/dbraw/zinc/71/44/99/1054714499.db2.gz GBGIOMCNVHBFTC-UHFFFAOYSA-N 2 2 376.338 3.769 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001319615956 1055360741 /nfs/dbraw/zinc/36/07/41/1055360741.db2.gz XDOVMBSVHHEMRX-MRXNPFEDSA-N 2 2 377.231 3.555 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC001320952539 1056030814 /nfs/dbraw/zinc/03/08/14/1056030814.db2.gz NEUKORUJEIKBAK-UHFFFAOYSA-N 2 2 378.766 3.996 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cnn(Cc2ccccc2)c1Cl ZINC001322068974 1056502154 /nfs/dbraw/zinc/50/21/54/1056502154.db2.gz HDQWYNJJKLGNHV-UHFFFAOYSA-N 2 2 392.850 3.726 20 0 GHADLP CC[NH+](CC)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC001323338231 1056954929 /nfs/dbraw/zinc/95/49/29/1056954929.db2.gz SILHHADKXRBZGR-OAHLLOKOSA-N 2 2 375.340 3.539 20 0 GHADLP Cc1c(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc2c[nH+]cn21 ZINC001323522101 1056980707 /nfs/dbraw/zinc/98/07/07/1056980707.db2.gz NKLKTEMHWQWUGL-IYBDPMFKSA-N 2 2 378.476 3.504 20 0 GHADLP Cc1c(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc2c[nH+]cn21 ZINC001323522101 1056980709 /nfs/dbraw/zinc/98/07/09/1056980709.db2.gz NKLKTEMHWQWUGL-IYBDPMFKSA-N 2 2 378.476 3.504 20 0 GHADLP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3cscc3Br)c2)CC1 ZINC001325607919 1057345710 /nfs/dbraw/zinc/34/57/10/1057345710.db2.gz UTOIWVZBOVMNST-UHFFFAOYSA-N 2 2 394.382 3.548 20 0 GHADLP COC(=O)/C=C\c1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000848885218 1057395187 /nfs/dbraw/zinc/39/51/87/1057395187.db2.gz RHRWGWQKHWFABG-YZMSFBEDSA-N 2 2 382.504 3.951 20 0 GHADLP COC(=O)/C=C\c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000848885218 1057395189 /nfs/dbraw/zinc/39/51/89/1057395189.db2.gz RHRWGWQKHWFABG-YZMSFBEDSA-N 2 2 382.504 3.951 20 0 GHADLP COC(=O)/C=C\c1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000848885218 1057395195 /nfs/dbraw/zinc/39/51/95/1057395195.db2.gz RHRWGWQKHWFABG-YZMSFBEDSA-N 2 2 382.504 3.951 20 0 GHADLP COC(=O)/C=C\c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000848885218 1057395200 /nfs/dbraw/zinc/39/52/00/1057395200.db2.gz RHRWGWQKHWFABG-YZMSFBEDSA-N 2 2 382.504 3.951 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC001326036420 1057399666 /nfs/dbraw/zinc/39/96/66/1057399666.db2.gz FSUWJRFBAXFWSA-PKTZIBPZSA-N 2 2 383.511 3.886 20 0 GHADLP CC[C@H](C)[NH2+][C@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1ccco1 ZINC000849051374 1057561378 /nfs/dbraw/zinc/56/13/78/1057561378.db2.gz IOPHHHBXBJQHJH-XJKSGUPXSA-N 2 2 398.429 3.922 20 0 GHADLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)c1cccc(F)c1 ZINC000849083855 1057585767 /nfs/dbraw/zinc/58/57/67/1057585767.db2.gz MAOLUSJESKPDFD-MRXNPFEDSA-N 2 2 384.377 3.963 20 0 GHADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001338243435 1058472430 /nfs/dbraw/zinc/47/24/30/1058472430.db2.gz JOPSNRMGSQTIPX-XMGTWHOFSA-N 2 2 392.632 3.505 20 0 GHADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001338243435 1058472438 /nfs/dbraw/zinc/47/24/38/1058472438.db2.gz JOPSNRMGSQTIPX-XMGTWHOFSA-N 2 2 392.632 3.505 20 0 GHADLP CC(C)(CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)[NH+]1CCCCC1 ZINC001440353503 1058502051 /nfs/dbraw/zinc/50/20/51/1058502051.db2.gz PHUZXFZQUWISLP-FQEVSTJZSA-N 2 2 375.532 3.561 20 0 GHADLP CC(C)(CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)[NH+]1CCCCC1 ZINC001440353503 1058502070 /nfs/dbraw/zinc/50/20/70/1058502070.db2.gz PHUZXFZQUWISLP-FQEVSTJZSA-N 2 2 375.532 3.561 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001444206612 1059282501 /nfs/dbraw/zinc/28/25/01/1059282501.db2.gz QWKSXJHGJMRRTM-JKSUJKDBSA-N 2 2 399.495 3.598 20 0 GHADLP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC001444848723 1059397516 /nfs/dbraw/zinc/39/75/16/1059397516.db2.gz OLGHHRRTRLVHEM-ZWKOTPCHSA-N 2 2 394.441 3.672 20 0 GHADLP O=C([C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC001446570175 1059805264 /nfs/dbraw/zinc/80/52/64/1059805264.db2.gz RHCMIPOBRSUKLX-NRFANRHFSA-N 2 2 389.971 3.781 20 0 GHADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC001446570175 1059805297 /nfs/dbraw/zinc/80/52/97/1059805297.db2.gz RHCMIPOBRSUKLX-NRFANRHFSA-N 2 2 389.971 3.781 20 0 GHADLP CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001340902105 1060234207 /nfs/dbraw/zinc/23/42/07/1060234207.db2.gz GKWCVDYMMRRBJO-LJQANCHMSA-N 2 2 398.599 3.802 20 0 GHADLP CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001340902105 1060234227 /nfs/dbraw/zinc/23/42/27/1060234227.db2.gz GKWCVDYMMRRBJO-LJQANCHMSA-N 2 2 398.599 3.802 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)C1CC[NH2+]CC1 ZINC001346105332 1061365783 /nfs/dbraw/zinc/36/57/83/1061365783.db2.gz YHRYEJIAFAWKPJ-INIZCTEOSA-N 2 2 383.540 3.513 20 0 GHADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001545880433 1062060643 /nfs/dbraw/zinc/06/06/43/1062060643.db2.gz ZXXSIKBOPHURSZ-IFMALSPDSA-N 2 2 398.551 3.689 20 0 GHADLP CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001545880433 1062060667 /nfs/dbraw/zinc/06/06/67/1062060667.db2.gz ZXXSIKBOPHURSZ-IFMALSPDSA-N 2 2 398.551 3.689 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)c1 ZINC001435056882 1062251534 /nfs/dbraw/zinc/25/15/34/1062251534.db2.gz LYJNKLPOGRCDQE-UHFFFAOYSA-N 2 2 386.459 3.888 20 0 GHADLP CC1=C(C)C[C@H](C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001458871780 1063952949 /nfs/dbraw/zinc/95/29/49/1063952949.db2.gz DBXJYSSKURZSEY-BAGYTPMASA-N 2 2 375.601 3.919 20 0 GHADLP CC1=C(C)C[C@H](C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001458871780 1063952951 /nfs/dbraw/zinc/95/29/51/1063952951.db2.gz DBXJYSSKURZSEY-BAGYTPMASA-N 2 2 375.601 3.919 20 0 GHADLP CCCCCCO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001458883349 1063955336 /nfs/dbraw/zinc/95/53/36/1063955336.db2.gz XPEACWQGAYGIKG-FCEUIQTBSA-N 2 2 395.632 3.767 20 0 GHADLP CCCCCCO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001458883349 1063955338 /nfs/dbraw/zinc/95/53/38/1063955338.db2.gz XPEACWQGAYGIKG-FCEUIQTBSA-N 2 2 395.632 3.767 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001459304985 1064053748 /nfs/dbraw/zinc/05/37/48/1064053748.db2.gz YUOQLWZUXMMVMS-PZJWPPBQSA-N 2 2 397.588 3.866 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001459304985 1064053757 /nfs/dbraw/zinc/05/37/57/1064053757.db2.gz YUOQLWZUXMMVMS-PZJWPPBQSA-N 2 2 397.588 3.866 20 0 GHADLP O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1c[nH+]ccc1Nc1ccccc1 ZINC001464103306 1064825047 /nfs/dbraw/zinc/82/50/47/1064825047.db2.gz XYURNFZJVVAJSA-UHFFFAOYSA-N 2 2 386.499 3.773 20 0 GHADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cc(-n2cc[nH+]c2)ccc1O ZINC001464357287 1064968990 /nfs/dbraw/zinc/96/89/90/1064968990.db2.gz CNGMQCGZIDODIN-UHFFFAOYSA-N 2 2 390.487 3.859 20 0 GHADLP COc1cc(C)ccc1Oc1ccccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001200269589 1065778307 /nfs/dbraw/zinc/77/83/07/1065778307.db2.gz YISUQSXKAMEDOZ-UXHICEINSA-N 2 2 382.504 3.749 20 0 GHADLP COc1cc(C)ccc1Oc1ccccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001200269589 1065778322 /nfs/dbraw/zinc/77/83/22/1065778322.db2.gz YISUQSXKAMEDOZ-UXHICEINSA-N 2 2 382.504 3.749 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)Nc2cccc(CC[NH+](C)C3CC3)c2)cc1 ZINC001466486960 1066169958 /nfs/dbraw/zinc/16/99/58/1066169958.db2.gz WEFAEVDXEQVZMH-HSZRJFAPSA-N 2 2 393.531 3.545 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)Nc2cccc(CC[NH+](C)C3CC3)c2)cc1 ZINC001466486960 1066169963 /nfs/dbraw/zinc/16/99/63/1066169963.db2.gz WEFAEVDXEQVZMH-HSZRJFAPSA-N 2 2 393.531 3.545 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)cc1 ZINC001466486960 1066169967 /nfs/dbraw/zinc/16/99/67/1066169967.db2.gz WEFAEVDXEQVZMH-HSZRJFAPSA-N 2 2 393.531 3.545 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)cc1 ZINC001466486960 1066169968 /nfs/dbraw/zinc/16/99/68/1066169968.db2.gz WEFAEVDXEQVZMH-HSZRJFAPSA-N 2 2 393.531 3.545 20 0 GHADLP CC(C)[C@@H](CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCC(C)CC1 ZINC001467669100 1067408724 /nfs/dbraw/zinc/40/87/24/1067408724.db2.gz SOURDSMVMXBGHW-SIKLNZKXSA-N 2 2 397.567 3.989 20 0 GHADLP COc1cccc(CN2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)c1 ZINC001460654198 1069059999 /nfs/dbraw/zinc/05/99/99/1069059999.db2.gz ONLOKYJMNJKEGX-UHFFFAOYSA-N 2 2 393.575 3.999 20 0 GHADLP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001460671183 1069074933 /nfs/dbraw/zinc/07/49/33/1069074933.db2.gz MQOHKZOSLBVTBY-DEOSSOPVSA-N 3 2 387.612 3.577 20 0 GHADLP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001460671183 1069074941 /nfs/dbraw/zinc/07/49/41/1069074941.db2.gz MQOHKZOSLBVTBY-DEOSSOPVSA-N 3 2 387.612 3.577 20 0 GHADLP CC(C)C[NH+](CC1CC[NH+](C)CC1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001460671183 1069074949 /nfs/dbraw/zinc/07/49/49/1069074949.db2.gz MQOHKZOSLBVTBY-DEOSSOPVSA-N 3 2 387.612 3.577 20 0 GHADLP CC(C)C[NH+](CC1CC[NH+](C)CC1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001460671183 1069074956 /nfs/dbraw/zinc/07/49/56/1069074956.db2.gz MQOHKZOSLBVTBY-DEOSSOPVSA-N 3 2 387.612 3.577 20 0 GHADLP C[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)c1c(Cl)cccc1Cl ZINC001471048398 1072903750 /nfs/dbraw/zinc/90/37/50/1072903750.db2.gz JSILKLQJSUOIRL-ZDUSSCGKSA-N 2 2 393.318 3.882 20 0 GHADLP CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001473173876 1073830781 /nfs/dbraw/zinc/83/07/81/1073830781.db2.gz QYVHUOKRNYXNSP-DEOSSOPVSA-N 2 2 379.548 3.922 20 0 GHADLP CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001473173876 1073830790 /nfs/dbraw/zinc/83/07/90/1073830790.db2.gz QYVHUOKRNYXNSP-DEOSSOPVSA-N 2 2 379.548 3.922 20 0 GHADLP CCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC001473269669 1073900175 /nfs/dbraw/zinc/90/01/75/1073900175.db2.gz GJZXAOKDZWUZRD-FQEVSTJZSA-N 2 2 395.547 3.758 20 0 GHADLP CCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC001473269669 1073900179 /nfs/dbraw/zinc/90/01/79/1073900179.db2.gz GJZXAOKDZWUZRD-FQEVSTJZSA-N 2 2 395.547 3.758 20 0 GHADLP CCNc1nc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cs1 ZINC001473340162 1073926694 /nfs/dbraw/zinc/92/66/94/1073926694.db2.gz CZMDBRKFEUYXFJ-HNNXBMFYSA-N 2 2 391.560 3.707 20 0 GHADLP COC(=O)c1csc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC001473456306 1073973655 /nfs/dbraw/zinc/97/36/55/1073973655.db2.gz ZRHHLVNJZDTVOX-HNNXBMFYSA-N 2 2 378.563 3.859 20 0 GHADLP COC(=O)c1csc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC001473456306 1073973660 /nfs/dbraw/zinc/97/36/60/1073973660.db2.gz ZRHHLVNJZDTVOX-HNNXBMFYSA-N 2 2 378.563 3.859 20 0 GHADLP COC(=O)c1csc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC001473456306 1073973664 /nfs/dbraw/zinc/97/36/64/1073973664.db2.gz ZRHHLVNJZDTVOX-HNNXBMFYSA-N 2 2 378.563 3.859 20 0 GHADLP COC(=O)c1csc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c1 ZINC001473456306 1073973669 /nfs/dbraw/zinc/97/36/69/1073973669.db2.gz ZRHHLVNJZDTVOX-HNNXBMFYSA-N 2 2 378.563 3.859 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@@H+]3CC[C@H](c4ccncc4)C3)CC2)cc1 ZINC001473524650 1074001497 /nfs/dbraw/zinc/00/14/97/1074001497.db2.gz UVIAQZOCHOPRKF-FQEVSTJZSA-N 2 2 384.955 3.737 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@H+]3CC[C@H](c4ccncc4)C3)CC2)cc1 ZINC001473524650 1074001504 /nfs/dbraw/zinc/00/15/04/1074001504.db2.gz UVIAQZOCHOPRKF-FQEVSTJZSA-N 2 2 384.955 3.737 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)[C@@]12C[C@@H]1CCCC2 ZINC001473711198 1074101753 /nfs/dbraw/zinc/10/17/53/1074101753.db2.gz KWQCTYHTLKHUGE-LLGFUMIMSA-N 2 2 390.597 3.872 20 0 GHADLP Cc1csc(C[C@H]2CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC001473824676 1074161758 /nfs/dbraw/zinc/16/17/58/1074161758.db2.gz PNEVAKYSNZHRRP-NHCUHLMSSA-N 2 2 385.577 3.607 20 0 GHADLP Cc1csc(C[C@H]2CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC001473824676 1074161760 /nfs/dbraw/zinc/16/17/60/1074161760.db2.gz PNEVAKYSNZHRRP-NHCUHLMSSA-N 2 2 385.577 3.607 20 0 GHADLP Cc1csc(C[C@H]2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC001473824676 1074161768 /nfs/dbraw/zinc/16/17/68/1074161768.db2.gz PNEVAKYSNZHRRP-NHCUHLMSSA-N 2 2 385.577 3.607 20 0 GHADLP Cc1csc(C[C@H]2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC001473824676 1074161770 /nfs/dbraw/zinc/16/17/70/1074161770.db2.gz PNEVAKYSNZHRRP-NHCUHLMSSA-N 2 2 385.577 3.607 20 0 GHADLP C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001473834394 1074165255 /nfs/dbraw/zinc/16/52/55/1074165255.db2.gz QIPKLCSXRJRLSB-NMMYMHLASA-N 2 2 380.532 3.869 20 0 GHADLP C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001473834394 1074165259 /nfs/dbraw/zinc/16/52/59/1074165259.db2.gz QIPKLCSXRJRLSB-NMMYMHLASA-N 2 2 380.532 3.869 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc3cc[nH]c3c2)C1 ZINC001473897369 1074195011 /nfs/dbraw/zinc/19/50/11/1074195011.db2.gz KBBDYRRSJHZYHM-MOPGFXCFSA-N 2 2 396.535 3.739 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc3cc[nH]c3c2)C1 ZINC001473897369 1074195013 /nfs/dbraw/zinc/19/50/13/1074195013.db2.gz KBBDYRRSJHZYHM-MOPGFXCFSA-N 2 2 396.535 3.739 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001474078550 1074256987 /nfs/dbraw/zinc/25/69/87/1074256987.db2.gz ORUCILJLHFETHY-YOSAUDMPSA-N 2 2 378.564 3.717 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001474078550 1074256999 /nfs/dbraw/zinc/25/69/99/1074256999.db2.gz ORUCILJLHFETHY-YOSAUDMPSA-N 2 2 378.564 3.717 20 0 GHADLP O=C(OCc1ccccc1)c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c[nH]1 ZINC001474314519 1074336567 /nfs/dbraw/zinc/33/65/67/1074336567.db2.gz OJVDHPWMEQNOAJ-HXUWFJFHSA-N 2 2 381.520 3.680 20 0 GHADLP O=C(OCc1ccccc1)c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c[nH]1 ZINC001474314519 1074336577 /nfs/dbraw/zinc/33/65/77/1074336577.db2.gz OJVDHPWMEQNOAJ-HXUWFJFHSA-N 2 2 381.520 3.680 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc1 ZINC000826330781 609150275 /nfs/dbraw/zinc/15/02/75/609150275.db2.gz IEBPRLVIZQVNSF-KGLIPLIRSA-N 2 2 391.454 3.912 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N)cc(Cl)[nH+]1)CC2 ZINC001164844797 720681405 /nfs/dbraw/zinc/68/14/05/720681405.db2.gz UVCSZQULIMSJSO-SFHVURJKSA-N 2 2 386.927 3.577 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N)cc(Cl)[nH+]1)CC2 ZINC001164844797 720681410 /nfs/dbraw/zinc/68/14/10/720681410.db2.gz UVCSZQULIMSJSO-SFHVURJKSA-N 2 2 386.927 3.577 20 0 GHADLP CCN(CC)c1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc[nH+]1 ZINC001164795019 721497719 /nfs/dbraw/zinc/49/77/19/721497719.db2.gz AODKYNQLFDUDSV-UHFFFAOYSA-N 2 2 394.567 3.599 20 0 GHADLP CCN(CC)c1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc[nH+]1 ZINC001164795019 721497721 /nfs/dbraw/zinc/49/77/21/721497721.db2.gz AODKYNQLFDUDSV-UHFFFAOYSA-N 2 2 394.567 3.599 20 0 GHADLP CCN(CC)c1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)[nH+]cn1 ZINC001164795019 721497724 /nfs/dbraw/zinc/49/77/24/721497724.db2.gz AODKYNQLFDUDSV-UHFFFAOYSA-N 2 2 394.567 3.599 20 0 GHADLP CCN(CC)c1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)[nH+]cn1 ZINC001164795019 721497727 /nfs/dbraw/zinc/49/77/27/721497727.db2.gz AODKYNQLFDUDSV-UHFFFAOYSA-N 2 2 394.567 3.599 20 0 GHADLP O[C@H](C[NH2+]Cc1cccc(OC2CCCC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000237971099 837510228 /nfs/dbraw/zinc/51/02/28/837510228.db2.gz DYDMZQIZPBZJII-JOCHJYFZSA-N 2 2 380.532 3.517 20 0 GHADLP O[C@H](C[NH2+]Cc1cccc(OC2CCCC2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000237971099 837510239 /nfs/dbraw/zinc/51/02/39/837510239.db2.gz DYDMZQIZPBZJII-JOCHJYFZSA-N 2 2 380.532 3.517 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)nn1C ZINC000414389138 837591859 /nfs/dbraw/zinc/59/18/59/837591859.db2.gz FFUOHDLQMRPQQO-QFBILLFUSA-N 2 2 380.458 3.920 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)nn1C ZINC000414389138 837591869 /nfs/dbraw/zinc/59/18/69/837591869.db2.gz FFUOHDLQMRPQQO-QFBILLFUSA-N 2 2 380.458 3.920 20 0 GHADLP c1ccc(COC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000655716596 837721690 /nfs/dbraw/zinc/72/16/90/837721690.db2.gz YUJAUMSQABSJKL-RPWUZVMVSA-N 2 2 380.532 3.787 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)OC[C@H]1CC[NH+](C)[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000780378215 834503255 /nfs/dbraw/zinc/50/32/55/834503255.db2.gz LTIIFORQBXNLGH-MZYLBHOOSA-N 2 2 396.531 3.924 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)OC[C@H]1CC[NH+](C)[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000780378215 834503262 /nfs/dbraw/zinc/50/32/62/834503262.db2.gz LTIIFORQBXNLGH-MZYLBHOOSA-N 2 2 396.531 3.924 20 0 GHADLP CC[NH+](C)[C@H](C(=O)OC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000780378215 834503266 /nfs/dbraw/zinc/50/32/66/834503266.db2.gz LTIIFORQBXNLGH-MZYLBHOOSA-N 2 2 396.531 3.924 20 0 GHADLP CC[NH+](C)[C@H](C(=O)OC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000780378215 834503271 /nfs/dbraw/zinc/50/32/71/834503271.db2.gz LTIIFORQBXNLGH-MZYLBHOOSA-N 2 2 396.531 3.924 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)OC[C@H]1CC[NH+](C)[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000780378217 834503764 /nfs/dbraw/zinc/50/37/64/834503764.db2.gz LTIIFORQBXNLGH-PUHATCMVSA-N 2 2 396.531 3.924 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)OC[C@H]1CC[NH+](C)[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000780378217 834503769 /nfs/dbraw/zinc/50/37/69/834503769.db2.gz LTIIFORQBXNLGH-PUHATCMVSA-N 2 2 396.531 3.924 20 0 GHADLP CC[NH+](C)[C@H](C(=O)OC[C@H]1CC[N@H+](C)[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000780378217 834503779 /nfs/dbraw/zinc/50/37/79/834503779.db2.gz LTIIFORQBXNLGH-PUHATCMVSA-N 2 2 396.531 3.924 20 0 GHADLP CC[NH+](C)[C@H](C(=O)OC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000780378217 834503788 /nfs/dbraw/zinc/50/37/88/834503788.db2.gz LTIIFORQBXNLGH-PUHATCMVSA-N 2 2 396.531 3.924 20 0 GHADLP C[N@H+](CCc1cccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1)C1CC1 ZINC000579780138 834657881 /nfs/dbraw/zinc/65/78/81/834657881.db2.gz CFFBALDQDOXWSQ-UHFFFAOYSA-N 2 2 388.515 3.749 20 0 GHADLP C[N@@H+](CCc1cccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1)C1CC1 ZINC000579780138 834657888 /nfs/dbraw/zinc/65/78/88/834657888.db2.gz CFFBALDQDOXWSQ-UHFFFAOYSA-N 2 2 388.515 3.749 20 0 GHADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000583597789 834720293 /nfs/dbraw/zinc/72/02/93/834720293.db2.gz FDVHWTWUUKHVOP-CTNGQTDRSA-N 2 2 385.556 3.661 20 0 GHADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000583597789 834720298 /nfs/dbraw/zinc/72/02/98/834720298.db2.gz FDVHWTWUUKHVOP-CTNGQTDRSA-N 2 2 385.556 3.661 20 0 GHADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662266316 834733681 /nfs/dbraw/zinc/73/36/81/834733681.db2.gz LYIJWQUXNVDSAE-GHMZBOCLSA-N 2 2 381.236 3.559 20 0 GHADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662266316 834733686 /nfs/dbraw/zinc/73/36/86/834733686.db2.gz LYIJWQUXNVDSAE-GHMZBOCLSA-N 2 2 381.236 3.559 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000143396834 834795135 /nfs/dbraw/zinc/79/51/35/834795135.db2.gz LWBZWQKNZYNXBR-FQEVSTJZSA-N 2 2 392.478 3.540 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000143396834 834795141 /nfs/dbraw/zinc/79/51/41/834795141.db2.gz LWBZWQKNZYNXBR-FQEVSTJZSA-N 2 2 392.478 3.540 20 0 GHADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278411266 835011313 /nfs/dbraw/zinc/01/13/13/835011313.db2.gz HOYSMTLPCYUXRL-OAQYLSRUSA-N 2 2 396.535 3.618 20 0 GHADLP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000685629671 835238208 /nfs/dbraw/zinc/23/82/08/835238208.db2.gz DSLRFMGEHWVTKZ-IAQYHMDHSA-N 2 2 393.331 3.929 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000431624540 835325225 /nfs/dbraw/zinc/32/52/25/835325225.db2.gz WEIRWOKXEZNCMM-UHFFFAOYSA-N 2 2 390.531 3.632 20 0 GHADLP CC(C)c1ncsc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000410686201 844048393 /nfs/dbraw/zinc/04/83/93/844048393.db2.gz GGCISJKLDWRPCN-ZWKOTPCHSA-N 2 2 392.613 3.676 20 0 GHADLP CC(C)c1ncsc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410686201 844048402 /nfs/dbraw/zinc/04/84/02/844048402.db2.gz GGCISJKLDWRPCN-ZWKOTPCHSA-N 2 2 392.613 3.676 20 0 GHADLP CN(c1ccccc1C[N@@H+]1CCC=C(Br)C1)C1CC[NH+](C)CC1 ZINC000799737150 835428083 /nfs/dbraw/zinc/42/80/83/835428083.db2.gz WNMXXQFPIYJZLE-UHFFFAOYSA-N 2 2 378.358 3.702 20 0 GHADLP CN(c1ccccc1C[N@H+]1CCC=C(Br)C1)C1CC[NH+](C)CC1 ZINC000799737150 835428087 /nfs/dbraw/zinc/42/80/87/835428087.db2.gz WNMXXQFPIYJZLE-UHFFFAOYSA-N 2 2 378.358 3.702 20 0 GHADLP C[NH+](C)CCOc1ccc(CCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC001125301066 835454532 /nfs/dbraw/zinc/45/45/32/835454532.db2.gz JOWYGSUCVRAKIW-UHFFFAOYSA-N 2 2 396.466 3.523 20 0 GHADLP C[C@H]1CCc2c(sc3nc(CC[N@@H+]4CCC[C@@H](c5[nH]cc[nH+]5)C4)nc(N)c32)C1 ZINC000471185505 835528648 /nfs/dbraw/zinc/52/86/48/835528648.db2.gz JCWULZWQVVLDPY-UONOGXRCSA-N 2 2 396.564 3.544 20 0 GHADLP C[C@H]1CCc2c(sc3nc(CC[N@H+]4CCC[C@@H](c5[nH]cc[nH+]5)C4)nc(N)c32)C1 ZINC000471185505 835528650 /nfs/dbraw/zinc/52/86/50/835528650.db2.gz JCWULZWQVVLDPY-UONOGXRCSA-N 2 2 396.564 3.544 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000154404925 835652474 /nfs/dbraw/zinc/65/24/74/835652474.db2.gz YCBYRDMIXVCLKR-KBXCAEBGSA-N 2 2 389.341 3.821 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC[N@H+]1C ZINC000154404925 835652476 /nfs/dbraw/zinc/65/24/76/835652476.db2.gz YCBYRDMIXVCLKR-KBXCAEBGSA-N 2 2 389.341 3.821 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC[NH+]1C ZINC000154404925 835652478 /nfs/dbraw/zinc/65/24/78/835652478.db2.gz YCBYRDMIXVCLKR-KBXCAEBGSA-N 2 2 389.341 3.821 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC[NH+]1C ZINC000154404925 835652480 /nfs/dbraw/zinc/65/24/80/835652480.db2.gz YCBYRDMIXVCLKR-KBXCAEBGSA-N 2 2 389.341 3.821 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](CC4(C)CCCCC4)CC[C@@H]3C2)cs1 ZINC001208897827 835736327 /nfs/dbraw/zinc/73/63/27/835736327.db2.gz GCFWITQTBAXFQD-UYAOXDASSA-N 2 2 377.598 3.945 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](CC4(C)CCCCC4)CC[C@@H]3C2)cs1 ZINC001208897827 835736338 /nfs/dbraw/zinc/73/63/38/835736338.db2.gz GCFWITQTBAXFQD-UYAOXDASSA-N 2 2 377.598 3.945 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](CC4(C)CCCCC4)CC[C@@H]3C2)cs1 ZINC001208897827 835736347 /nfs/dbraw/zinc/73/63/47/835736347.db2.gz GCFWITQTBAXFQD-UYAOXDASSA-N 2 2 377.598 3.945 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](CC4(C)CCCCC4)CC[C@@H]3C2)cs1 ZINC001208897827 835736354 /nfs/dbraw/zinc/73/63/54/835736354.db2.gz GCFWITQTBAXFQD-UYAOXDASSA-N 2 2 377.598 3.945 20 0 GHADLP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Br)cc1F ZINC000584282142 835837478 /nfs/dbraw/zinc/83/74/78/835837478.db2.gz LOFNEHDUTXWZOD-IAGOWNOFSA-N 2 2 398.320 3.523 20 0 GHADLP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Br)cc1F ZINC000584282142 835837483 /nfs/dbraw/zinc/83/74/83/835837483.db2.gz LOFNEHDUTXWZOD-IAGOWNOFSA-N 2 2 398.320 3.523 20 0 GHADLP Cc1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc(OC(F)(F)F)c1 ZINC001143463818 836073258 /nfs/dbraw/zinc/07/32/58/836073258.db2.gz LBHQSTQELMZLIN-ROUUACIJSA-N 2 2 391.437 3.852 20 0 GHADLP Cc1nc2ccccc2n1CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000162247289 836142398 /nfs/dbraw/zinc/14/23/98/836142398.db2.gz FAVYHJJCKIQIKQ-UHFFFAOYSA-N 2 2 377.536 3.669 20 0 GHADLP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000612409846 836192883 /nfs/dbraw/zinc/19/28/83/836192883.db2.gz FZDMFXSOZXCCJC-PXNSSMCTSA-N 2 2 393.487 3.607 20 0 GHADLP COc1ccc(C[C@@H](C)[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cn1 ZINC000414131935 836228144 /nfs/dbraw/zinc/22/81/44/836228144.db2.gz YPJXVZFWUGCOOG-RTBURBONSA-N 2 2 383.536 3.511 20 0 GHADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)C1 ZINC000120793185 836537529 /nfs/dbraw/zinc/53/75/29/836537529.db2.gz CKYZUIUJPINYBV-MRXNPFEDSA-N 2 2 381.351 3.978 20 0 GHADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)C1 ZINC000120793185 836537533 /nfs/dbraw/zinc/53/75/33/836537533.db2.gz CKYZUIUJPINYBV-MRXNPFEDSA-N 2 2 381.351 3.978 20 0 GHADLP CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc2)CC1 ZINC000332751405 836537651 /nfs/dbraw/zinc/53/76/51/836537651.db2.gz CLGFRQBQGLLMPD-SFTDATJTSA-N 2 2 395.551 3.772 20 0 GHADLP c1ccc(SCC[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000510238638 836920446 /nfs/dbraw/zinc/92/04/46/836920446.db2.gz PZKZTGXQSOECRC-NRFANRHFSA-N 2 2 396.604 3.708 20 0 GHADLP c1ccc(SCC[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000510238638 836920460 /nfs/dbraw/zinc/92/04/60/836920460.db2.gz PZKZTGXQSOECRC-NRFANRHFSA-N 2 2 396.604 3.708 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CC[C@@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000237624839 837287716 /nfs/dbraw/zinc/28/77/16/837287716.db2.gz VCDJNXOYCSSOAS-LVCYWYKZSA-N 2 2 381.520 3.715 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CC[C@@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000237624839 837287724 /nfs/dbraw/zinc/28/77/24/837287724.db2.gz VCDJNXOYCSSOAS-LVCYWYKZSA-N 2 2 381.520 3.715 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431746540 837294908 /nfs/dbraw/zinc/29/49/08/837294908.db2.gz VQLSLUYDKJJYDG-UHFFFAOYSA-N 2 2 390.531 3.631 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431746540 837294917 /nfs/dbraw/zinc/29/49/17/837294917.db2.gz VQLSLUYDKJJYDG-UHFFFAOYSA-N 2 2 390.531 3.631 20 0 GHADLP COC1CC[NH+](C2CC[NH+](Cc3cc(C)cc(OC(F)(F)F)c3)CC2)CC1 ZINC001143472600 837307505 /nfs/dbraw/zinc/30/75/05/837307505.db2.gz RPMZMPVMWNOJKK-UHFFFAOYSA-N 2 2 386.458 3.969 20 0 GHADLP Brc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000655770103 837843026 /nfs/dbraw/zinc/84/30/26/837843026.db2.gz YGIOMZRBXFQORH-SNRMKQJTSA-N 2 2 379.342 3.538 20 0 GHADLP O=C1Nc2ccccc2CC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000655790387 837905240 /nfs/dbraw/zinc/90/52/40/837905240.db2.gz AXSSBRDDVLKHHT-IFMALSPDSA-N 2 2 375.516 3.727 20 0 GHADLP O=C1Nc2ccccc2CC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000655790387 837905244 /nfs/dbraw/zinc/90/52/44/837905244.db2.gz AXSSBRDDVLKHHT-IFMALSPDSA-N 2 2 375.516 3.727 20 0 GHADLP Brc1cccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CCOCC2)c1 ZINC000377758597 837920349 /nfs/dbraw/zinc/92/03/49/837920349.db2.gz XWLHDJVBAHZEFI-APWZRJJASA-N 2 2 390.325 3.787 20 0 GHADLP COc1ccccc1CN1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001167315230 838231173 /nfs/dbraw/zinc/23/11/73/838231173.db2.gz VULKARVMPLSDAZ-UHFFFAOYSA-N 2 2 393.575 3.999 20 0 GHADLP CC1CC[NH+]([C@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc2)CC1 ZINC000588284777 838281068 /nfs/dbraw/zinc/28/10/68/838281068.db2.gz JEZKHYYBILKHMM-OAQYLSRUSA-N 2 2 395.551 3.772 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000549401698 838627337 /nfs/dbraw/zinc/62/73/37/838627337.db2.gz VCHBCKIMNQZVIW-NQIIRXRSSA-N 2 2 381.568 3.971 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000549401698 838627339 /nfs/dbraw/zinc/62/73/39/838627339.db2.gz VCHBCKIMNQZVIW-NQIIRXRSSA-N 2 2 381.568 3.971 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000549401698 838627346 /nfs/dbraw/zinc/62/73/46/838627346.db2.gz VCHBCKIMNQZVIW-NQIIRXRSSA-N 2 2 381.568 3.971 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000549401698 838627351 /nfs/dbraw/zinc/62/73/51/838627351.db2.gz VCHBCKIMNQZVIW-NQIIRXRSSA-N 2 2 381.568 3.971 20 0 GHADLP C[C@@H](c1cccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000416151272 838638541 /nfs/dbraw/zinc/63/85/41/838638541.db2.gz PBORRNQEONUITI-PGRDOPGGSA-N 2 2 381.520 3.711 20 0 GHADLP Brc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000228314742 838970339 /nfs/dbraw/zinc/97/03/39/838970339.db2.gz JBDANMPNTATOGZ-GJZGRUSLSA-N 2 2 388.147 3.928 20 0 GHADLP Brc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1Br ZINC000228314742 838970347 /nfs/dbraw/zinc/97/03/47/838970347.db2.gz JBDANMPNTATOGZ-GJZGRUSLSA-N 2 2 388.147 3.928 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000124445960 839053468 /nfs/dbraw/zinc/05/34/68/839053468.db2.gz KZZDSFBACUUTPW-OAQYLSRUSA-N 2 2 378.476 3.594 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000124445960 839053475 /nfs/dbraw/zinc/05/34/75/839053475.db2.gz KZZDSFBACUUTPW-OAQYLSRUSA-N 2 2 378.476 3.594 20 0 GHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000415044239 839110217 /nfs/dbraw/zinc/11/02/17/839110217.db2.gz BOBMNNWMDRSGIE-KDOFPFPSSA-N 2 2 389.927 3.918 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000549203279 839292954 /nfs/dbraw/zinc/29/29/54/839292954.db2.gz NXFLKXJUEODZJA-OAQYLSRUSA-N 2 2 395.551 3.599 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000549203279 839292966 /nfs/dbraw/zinc/29/29/66/839292966.db2.gz NXFLKXJUEODZJA-OAQYLSRUSA-N 2 2 395.551 3.599 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000549203279 839292979 /nfs/dbraw/zinc/29/29/79/839292979.db2.gz NXFLKXJUEODZJA-OAQYLSRUSA-N 2 2 395.551 3.599 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000549203279 839292992 /nfs/dbraw/zinc/29/29/92/839292992.db2.gz NXFLKXJUEODZJA-OAQYLSRUSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc2c(c1)OCCCO2 ZINC000163756440 839730227 /nfs/dbraw/zinc/73/02/27/839730227.db2.gz LEBQVKGOXCUYPK-SFHVURJKSA-N 2 2 382.504 3.531 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc2c(c1)OCCCO2 ZINC000163756548 839732336 /nfs/dbraw/zinc/73/23/36/839732336.db2.gz LEBQVKGOXCUYPK-GOSISDBHSA-N 2 2 382.504 3.531 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000580661744 839974010 /nfs/dbraw/zinc/97/40/10/839974010.db2.gz IEPOXMCIOPRJOV-QGZVFWFLSA-N 2 2 397.519 3.588 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]Cc3cccc4cccnc43)CC2)cc1 ZINC000513103984 844498357 /nfs/dbraw/zinc/49/83/57/844498357.db2.gz AYXYVKIJONWLEO-UHFFFAOYSA-N 2 2 388.559 3.922 20 0 GHADLP CC[NH+](CC)Cc1cccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000431901921 840155092 /nfs/dbraw/zinc/15/50/92/840155092.db2.gz NAJNYCONNJUHQO-UHFFFAOYSA-N 2 2 376.504 3.954 20 0 GHADLP Cc1ccc(N2CCC(C(=O)Nc3cccc4c3OCC[C@H]4[NH+](C)C)CC2)[nH+]c1 ZINC000684088837 840299108 /nfs/dbraw/zinc/29/91/08/840299108.db2.gz JRYWTXIPYRPICP-HXUWFJFHSA-N 2 2 394.519 3.630 20 0 GHADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000417145116 840517154 /nfs/dbraw/zinc/51/71/54/840517154.db2.gz WFWIIWYXRPNIJR-NHCUHLMSSA-N 2 2 396.535 3.665 20 0 GHADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000417145116 840517163 /nfs/dbraw/zinc/51/71/63/840517163.db2.gz WFWIIWYXRPNIJR-NHCUHLMSSA-N 2 2 396.535 3.665 20 0 GHADLP O=C1Nc2ccccc2S[C@H]1CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478498 840628431 /nfs/dbraw/zinc/62/84/31/840628431.db2.gz CEBKNANEDOIRKS-UZLBHIALSA-N 2 2 396.560 3.902 20 0 GHADLP O=C1Nc2ccccc2S[C@H]1CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478498 840628439 /nfs/dbraw/zinc/62/84/39/840628439.db2.gz CEBKNANEDOIRKS-UZLBHIALSA-N 2 2 396.560 3.902 20 0 GHADLP Cn1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1C(F)(F)F ZINC000581142743 840786792 /nfs/dbraw/zinc/78/67/92/840786792.db2.gz CVIJONQDZOIIDA-QGZVFWFLSA-N 2 2 380.458 3.829 20 0 GHADLP Cn1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1C(F)(F)F ZINC000581142743 840786798 /nfs/dbraw/zinc/78/67/98/840786798.db2.gz CVIJONQDZOIIDA-QGZVFWFLSA-N 2 2 380.458 3.829 20 0 GHADLP COc1cc(OC)c(OC)cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000581163614 840808209 /nfs/dbraw/zinc/80/82/09/840808209.db2.gz LVKSNZUOSRVELD-TZIWHRDSSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(OC)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000581163614 840808224 /nfs/dbraw/zinc/80/82/24/840808224.db2.gz LVKSNZUOSRVELD-TZIWHRDSSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000581163614 840808238 /nfs/dbraw/zinc/80/82/38/840808238.db2.gz LVKSNZUOSRVELD-TZIWHRDSSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000581163614 840808247 /nfs/dbraw/zinc/80/82/47/840808247.db2.gz LVKSNZUOSRVELD-TZIWHRDSSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc(OC)c1OC ZINC000093016775 840866445 /nfs/dbraw/zinc/86/64/45/840866445.db2.gz SWIUCQHXNMEBIL-SFHVURJKSA-N 2 2 376.541 3.800 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc(OC)c1OC ZINC000093016775 840866451 /nfs/dbraw/zinc/86/64/51/840866451.db2.gz SWIUCQHXNMEBIL-SFHVURJKSA-N 2 2 376.541 3.800 20 0 GHADLP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000660677558 841090323 /nfs/dbraw/zinc/09/03/23/841090323.db2.gz NDWYJENAIGJTPK-HXUWFJFHSA-N 2 2 388.939 3.642 20 0 GHADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000430559504 841091796 /nfs/dbraw/zinc/09/17/96/841091796.db2.gz CXLMKLYPAUPGNM-FZMZJTMJSA-N 2 2 379.854 3.991 20 0 GHADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000430559504 841091801 /nfs/dbraw/zinc/09/18/01/841091801.db2.gz CXLMKLYPAUPGNM-FZMZJTMJSA-N 2 2 379.854 3.991 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000500103224 841446047 /nfs/dbraw/zinc/44/60/47/841446047.db2.gz BIZUBABQENJRMU-XXBNENTESA-N 2 2 388.515 3.572 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000500103224 841446056 /nfs/dbraw/zinc/44/60/56/841446056.db2.gz BIZUBABQENJRMU-XXBNENTESA-N 2 2 388.515 3.572 20 0 GHADLP C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000661515850 841835915 /nfs/dbraw/zinc/83/59/15/841835915.db2.gz GKBAFGPLAJYQFO-KDOFPFPSSA-N 2 2 378.314 3.577 20 0 GHADLP C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1CCCc1c[nH+]cn1C ZINC000661515850 841835921 /nfs/dbraw/zinc/83/59/21/841835921.db2.gz GKBAFGPLAJYQFO-KDOFPFPSSA-N 2 2 378.314 3.577 20 0 GHADLP CC[NH+](CC)CCCC1CC[NH+](Cc2csc(N(C(C)=O)C3CC3)n2)CC1 ZINC000543874348 841879526 /nfs/dbraw/zinc/87/95/26/841879526.db2.gz PUJUCVQJAAPIPA-UHFFFAOYSA-N 2 2 392.613 3.992 20 0 GHADLP CC(C)([NH3+])CCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000891510398 842221426 /nfs/dbraw/zinc/22/14/26/842221426.db2.gz MWZGIKZDSZVYNH-UHFFFAOYSA-N 2 2 391.519 3.525 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3ccn4cc[nH+]c4c3)cc2)C1 ZINC000177929466 861285931 /nfs/dbraw/zinc/28/59/31/861285931.db2.gz FNLQVBMEPTZXCU-GOSISDBHSA-N 2 2 391.519 3.566 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3ccn4cc[nH+]c4c3)cc2)C1 ZINC000177929466 861285943 /nfs/dbraw/zinc/28/59/43/861285943.db2.gz FNLQVBMEPTZXCU-GOSISDBHSA-N 2 2 391.519 3.566 20 0 GHADLP CC[C@@H](C)Oc1cc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)ccc1OC ZINC000684429304 842271626 /nfs/dbraw/zinc/27/16/26/842271626.db2.gz UPCXGGOCNRTQKL-QGZVFWFLSA-N 2 2 385.508 3.598 20 0 GHADLP C[C@@H]1C[NH+](C[C@H]2CCCN2CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000512044696 842300102 /nfs/dbraw/zinc/30/01/02/842300102.db2.gz HANNKSMHTATDKQ-MQSCRBSSSA-N 2 2 387.612 3.718 20 0 GHADLP C[C@@H]1C[NH+](C[C@H]2CCCN2CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000512044696 842300114 /nfs/dbraw/zinc/30/01/14/842300114.db2.gz HANNKSMHTATDKQ-MQSCRBSSSA-N 2 2 387.612 3.718 20 0 GHADLP Cn1c[nH+]cc1CCC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000276590407 842317172 /nfs/dbraw/zinc/31/71/72/842317172.db2.gz NBBLSCJOUWAMTC-UHFFFAOYSA-N 2 2 397.350 3.640 20 0 GHADLP CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000166672870 842375676 /nfs/dbraw/zinc/37/56/76/842375676.db2.gz RNZWAPFMMTWCSO-OAQYLSRUSA-N 2 2 376.504 3.588 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000471791142 842538694 /nfs/dbraw/zinc/53/86/94/842538694.db2.gz IEFHTKFMMGGMJV-JTHBVZDNSA-N 2 2 388.515 3.685 20 0 GHADLP c1ccc(C[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C2CC2)cc1 ZINC000481415900 861331749 /nfs/dbraw/zinc/33/17/49/861331749.db2.gz OLRYSNPBMKUURU-DEOSSOPVSA-N 2 2 380.532 3.509 20 0 GHADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[NH+](C)C ZINC000510508942 842876066 /nfs/dbraw/zinc/87/60/66/842876066.db2.gz CGEIYLSWVIRFPH-PGRDOPGGSA-N 2 2 376.504 3.661 20 0 GHADLP Cc1cc(CO)cc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)[nH+]1 ZINC000663721564 842894458 /nfs/dbraw/zinc/89/44/58/842894458.db2.gz VYFGQPIDRSNJSE-UHFFFAOYSA-N 2 2 390.325 3.721 20 0 GHADLP C[C@@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178554175 842946017 /nfs/dbraw/zinc/94/60/17/842946017.db2.gz HUQOFQFKNDGJKM-BEFAXECRSA-N 2 2 375.394 3.973 20 0 GHADLP C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000430792446 842991996 /nfs/dbraw/zinc/99/19/96/842991996.db2.gz RMRSNXRNFUAVGD-OLCDPMAZSA-N 2 2 397.607 3.832 20 0 GHADLP C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000430792446 842991998 /nfs/dbraw/zinc/99/19/98/842991998.db2.gz RMRSNXRNFUAVGD-OLCDPMAZSA-N 2 2 397.607 3.832 20 0 GHADLP CC[NH+](CC)CCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000131165143 843127877 /nfs/dbraw/zinc/12/78/77/843127877.db2.gz SEWJSLBPHFXYRA-AWEZNQCLSA-N 2 2 381.977 3.977 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)c1 ZINC000510709459 843260191 /nfs/dbraw/zinc/26/01/91/843260191.db2.gz NGEJUSPIGKMIJR-UHFFFAOYSA-N 2 2 378.476 3.764 20 0 GHADLP COc1cc2cc[nH+]c(NCc3ccccc3C[NH+]3CCOCC3)c2cc1OC ZINC000663349037 843273754 /nfs/dbraw/zinc/27/37/54/843273754.db2.gz BSYCJRWFESYUAE-UHFFFAOYSA-N 2 2 393.487 3.696 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000510743258 843375968 /nfs/dbraw/zinc/37/59/68/843375968.db2.gz QMTMQUFYTMIQAA-UHFFFAOYSA-N 2 2 398.576 3.662 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614000393 843387319 /nfs/dbraw/zinc/38/73/19/843387319.db2.gz MBKLMECDDCALKW-NRFANRHFSA-N 2 2 382.552 3.564 20 0 GHADLP [NH3+][C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc(F)cc1F ZINC000662678066 843512751 /nfs/dbraw/zinc/51/27/51/843512751.db2.gz AZXQDLJOZDRBTK-OALUTQOASA-N 2 2 393.865 3.571 20 0 GHADLP Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1C ZINC000333080024 843975820 /nfs/dbraw/zinc/97/58/20/843975820.db2.gz WWLGADRBLFQFIL-LJQANCHMSA-N 2 2 394.563 3.893 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000181253050 844841623 /nfs/dbraw/zinc/84/16/23/844841623.db2.gz WWJSCRHBIIBFQZ-QGZVFWFLSA-N 2 2 384.351 3.951 20 0 GHADLP C[NH+]1CCN(CCNc2cc(C3CC3)[nH+]c3c(Br)cccc23)CC1 ZINC000433021438 844979240 /nfs/dbraw/zinc/97/92/40/844979240.db2.gz WYLAREAJXMRNNK-UHFFFAOYSA-N 2 2 389.341 3.534 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC(Nc3[nH+]ccc4c(N)cccc43)CC2)cc1 ZINC000663973439 845197226 /nfs/dbraw/zinc/19/72/26/845197226.db2.gz NENKTXNYYXEVCU-UHFFFAOYSA-N 2 2 389.503 3.852 20 0 GHADLP CC(C)Cc1ccc([C@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)[NH+](C)C)cc1 ZINC000513345168 845274615 /nfs/dbraw/zinc/27/46/15/845274615.db2.gz HNAHWVSCAGOQKQ-QFIPXVFZSA-N 2 2 397.567 3.731 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C/C=C/c2ccccc2OC)[C@@H]1c1cnn(C)c1 ZINC000434010416 845723313 /nfs/dbraw/zinc/72/33/13/845723313.db2.gz DHKDAJRDYATVIC-LPAZTKSASA-N 2 2 382.552 3.847 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C/C=C/c2ccccc2OC)[C@@H]1c1cnn(C)c1 ZINC000434010416 845723318 /nfs/dbraw/zinc/72/33/18/845723318.db2.gz DHKDAJRDYATVIC-LPAZTKSASA-N 2 2 382.552 3.847 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C/C=C/c2ccccc2OC)[C@@H]1c1cnn(C)c1 ZINC000434010416 845723320 /nfs/dbraw/zinc/72/33/20/845723320.db2.gz DHKDAJRDYATVIC-LPAZTKSASA-N 2 2 382.552 3.847 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C/C=C/c2ccccc2OC)[C@@H]1c1cnn(C)c1 ZINC000434010416 845723323 /nfs/dbraw/zinc/72/33/23/845723323.db2.gz DHKDAJRDYATVIC-LPAZTKSASA-N 2 2 382.552 3.847 20 0 GHADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000431327699 845950409 /nfs/dbraw/zinc/95/04/09/845950409.db2.gz SNHZKWARTIGSMG-RTWAWAEBSA-N 2 2 387.568 3.556 20 0 GHADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000431327699 845950415 /nfs/dbraw/zinc/95/04/15/845950415.db2.gz SNHZKWARTIGSMG-RTWAWAEBSA-N 2 2 387.568 3.556 20 0 GHADLP CC1CCC([NH+]2CCN(C(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)CC2)CC1 ZINC000582058867 846176511 /nfs/dbraw/zinc/17/65/11/846176511.db2.gz RNJIYPYHXYXIRZ-MNLRITNHSA-N 2 2 380.536 3.655 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000513627729 846187650 /nfs/dbraw/zinc/18/76/50/846187650.db2.gz XZXYESVJAAEELN-UHFFFAOYSA-N 2 2 390.531 3.916 20 0 GHADLP COc1cccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cs2)c1OC ZINC000564662480 846274764 /nfs/dbraw/zinc/27/47/64/846274764.db2.gz ZIPQATPBKBRYFU-KKUMJFAQSA-N 2 2 375.538 3.633 20 0 GHADLP COc1cccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cs2)c1OC ZINC000564662480 846274771 /nfs/dbraw/zinc/27/47/71/846274771.db2.gz ZIPQATPBKBRYFU-KKUMJFAQSA-N 2 2 375.538 3.633 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000582091692 846288485 /nfs/dbraw/zinc/28/84/85/846288485.db2.gz FQOJMXJYDHPHLE-BJKOFHAPSA-N 2 2 386.543 3.885 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000582091692 846288496 /nfs/dbraw/zinc/28/84/96/846288496.db2.gz FQOJMXJYDHPHLE-BJKOFHAPSA-N 2 2 386.543 3.885 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000582091692 846288508 /nfs/dbraw/zinc/28/85/08/846288508.db2.gz FQOJMXJYDHPHLE-BJKOFHAPSA-N 2 2 386.543 3.885 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000582091692 846288520 /nfs/dbraw/zinc/28/85/20/846288520.db2.gz FQOJMXJYDHPHLE-BJKOFHAPSA-N 2 2 386.543 3.885 20 0 GHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000513690738 846343985 /nfs/dbraw/zinc/34/39/85/846343985.db2.gz LOZOHCQKCWLJBP-UHFFFAOYSA-N 2 2 398.378 3.760 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000152241142 846488947 /nfs/dbraw/zinc/48/89/47/846488947.db2.gz BTFKRRRELNDOOJ-ZFWWWQNUSA-N 2 2 384.471 3.600 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000152241142 846488949 /nfs/dbraw/zinc/48/89/49/846488949.db2.gz BTFKRRRELNDOOJ-ZFWWWQNUSA-N 2 2 384.471 3.600 20 0 GHADLP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000501052500 846604516 /nfs/dbraw/zinc/60/45/16/846604516.db2.gz PUMLDIKBBMEFIK-QAPCUYQASA-N 2 2 398.954 3.646 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(c4ccccc4)CCCC3)CC2)CC1 ZINC000422002460 846740930 /nfs/dbraw/zinc/74/09/30/846740930.db2.gz BCCUZZXGRBEVQC-UHFFFAOYSA-N 2 2 383.580 3.517 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(c4ccccc4)CCCC3)CC2)CC1 ZINC000422002460 846740939 /nfs/dbraw/zinc/74/09/39/846740939.db2.gz BCCUZZXGRBEVQC-UHFFFAOYSA-N 2 2 383.580 3.517 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000422009376 846748058 /nfs/dbraw/zinc/74/80/58/846748058.db2.gz AUNYWBKXOJMBDE-GOTSBHOMSA-N 2 2 383.580 3.589 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000422009376 846748071 /nfs/dbraw/zinc/74/80/71/846748071.db2.gz AUNYWBKXOJMBDE-GOTSBHOMSA-N 2 2 383.580 3.589 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3=C(c4ccccc4)CCC3)CC2)CC1 ZINC000422018698 846771531 /nfs/dbraw/zinc/77/15/31/846771531.db2.gz KLQIPWFMRCGENB-UHFFFAOYSA-N 2 2 381.564 3.643 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3=C(c4ccccc4)CCC3)CC2)CC1 ZINC000422018698 846771536 /nfs/dbraw/zinc/77/15/36/846771536.db2.gz KLQIPWFMRCGENB-UHFFFAOYSA-N 2 2 381.564 3.643 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3c(Cl)cccc3Cl)CC2)CC1 ZINC000422021418 846772424 /nfs/dbraw/zinc/77/24/24/846772424.db2.gz NKLYVYDVVAFNDK-UHFFFAOYSA-N 2 2 384.351 3.626 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3c(Cl)cccc3Cl)CC2)CC1 ZINC000422021418 846772433 /nfs/dbraw/zinc/77/24/33/846772433.db2.gz NKLYVYDVVAFNDK-UHFFFAOYSA-N 2 2 384.351 3.626 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000422153859 846859987 /nfs/dbraw/zinc/85/99/87/846859987.db2.gz BUSISWGCQPPKMG-PKTZIBPZSA-N 2 2 398.595 3.524 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000422153859 846860000 /nfs/dbraw/zinc/86/00/00/846860000.db2.gz BUSISWGCQPPKMG-PKTZIBPZSA-N 2 2 398.595 3.524 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)CC1 ZINC000271771255 846914912 /nfs/dbraw/zinc/91/49/12/846914912.db2.gz FLGLVYNWYCFTIQ-SFHVURJKSA-N 2 2 381.520 3.817 20 0 GHADLP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCOCC1 ZINC000152426118 847030956 /nfs/dbraw/zinc/03/09/56/847030956.db2.gz CQCLZLKASSPCEG-URXFXBBRSA-N 2 2 393.575 3.938 20 0 GHADLP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCOCC1 ZINC000152426118 847030962 /nfs/dbraw/zinc/03/09/62/847030962.db2.gz CQCLZLKASSPCEG-URXFXBBRSA-N 2 2 393.575 3.938 20 0 GHADLP C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272420654 847073180 /nfs/dbraw/zinc/07/31/80/847073180.db2.gz GLSSSUMVDZRFME-XXBNENTESA-N 2 2 388.515 3.572 20 0 GHADLP C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272420654 847073185 /nfs/dbraw/zinc/07/31/85/847073185.db2.gz GLSSSUMVDZRFME-XXBNENTESA-N 2 2 388.515 3.572 20 0 GHADLP Fc1ccc(C2(C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)CCOCC2)cc1 ZINC000272564195 847111745 /nfs/dbraw/zinc/11/17/45/847111745.db2.gz OAHFYSQITNDZEQ-UHFFFAOYSA-N 2 2 388.449 3.880 20 0 GHADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(Br)c1 ZINC000420339446 847118865 /nfs/dbraw/zinc/11/88/65/847118865.db2.gz LSJAPLWMQYLLIA-RHSMWYFYSA-N 2 2 394.357 3.549 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)N(Cc1ccccc1)c1ccccc1 ZINC000420385086 847152359 /nfs/dbraw/zinc/15/23/59/847152359.db2.gz FEGYPQQYFCHNBE-GGAORHGYSA-N 2 2 377.532 3.684 20 0 GHADLP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)N(Cc1ccccc1)c1ccccc1 ZINC000420385086 847152365 /nfs/dbraw/zinc/15/23/65/847152365.db2.gz FEGYPQQYFCHNBE-GGAORHGYSA-N 2 2 377.532 3.684 20 0 GHADLP CCC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668616571 847266528 /nfs/dbraw/zinc/26/65/28/847266528.db2.gz DNDSQGBDVASUPF-NHCUHLMSSA-N 2 2 391.987 3.851 20 0 GHADLP CCC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668616571 847266537 /nfs/dbraw/zinc/26/65/37/847266537.db2.gz DNDSQGBDVASUPF-NHCUHLMSSA-N 2 2 391.987 3.851 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000731656008 861779628 /nfs/dbraw/zinc/77/96/28/861779628.db2.gz WEYFKKAIYYNAKB-HXUWFJFHSA-N 2 2 388.943 3.796 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000731656008 861779634 /nfs/dbraw/zinc/77/96/34/861779634.db2.gz WEYFKKAIYYNAKB-HXUWFJFHSA-N 2 2 388.943 3.796 20 0 GHADLP Cc1cc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(C)[nH+]1 ZINC000422199402 847452972 /nfs/dbraw/zinc/45/29/72/847452972.db2.gz DPKANUFAKUIFAA-DENIHFKCSA-N 2 2 380.536 3.893 20 0 GHADLP Cc1cc(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(C)[nH+]1 ZINC000422199402 847452983 /nfs/dbraw/zinc/45/29/83/847452983.db2.gz DPKANUFAKUIFAA-DENIHFKCSA-N 2 2 380.536 3.893 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407946 847672515 /nfs/dbraw/zinc/67/25/15/847672515.db2.gz GOLLAANZEDBFGQ-PZJWPPBQSA-N 2 2 394.563 3.836 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407946 847672519 /nfs/dbraw/zinc/67/25/19/847672519.db2.gz GOLLAANZEDBFGQ-PZJWPPBQSA-N 2 2 394.563 3.836 20 0 GHADLP COc1ccc([C@@H](NCc2cccc(Cn3cc[nH+]c3)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422823517 847841854 /nfs/dbraw/zinc/84/18/54/847841854.db2.gz DNJIJHIPNNEEDX-DHIUTWEWSA-N 2 2 376.504 3.523 20 0 GHADLP COc1cc(C)c(C[C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1OC ZINC000502433909 847900133 /nfs/dbraw/zinc/90/01/33/847900133.db2.gz JVYWEJORKLNABQ-FXAWDEMLSA-N 2 2 398.551 3.591 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000422943958 847907542 /nfs/dbraw/zinc/90/75/42/847907542.db2.gz LSLHTQTZOYGRRS-GRADPPADSA-N 3 2 393.575 3.879 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000422943958 847907548 /nfs/dbraw/zinc/90/75/48/847907548.db2.gz LSLHTQTZOYGRRS-GRADPPADSA-N 3 2 393.575 3.879 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000422943958 847907559 /nfs/dbraw/zinc/90/75/59/847907559.db2.gz LSLHTQTZOYGRRS-GRADPPADSA-N 2 2 393.575 3.879 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000422943958 847907570 /nfs/dbraw/zinc/90/75/70/847907570.db2.gz LSLHTQTZOYGRRS-GRADPPADSA-N 2 2 393.575 3.879 20 0 GHADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000423056585 847955582 /nfs/dbraw/zinc/95/55/82/847955582.db2.gz YOSVUGPJFJMHDD-CWFSZBLJSA-N 2 2 379.470 3.856 20 0 GHADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423056585 847955587 /nfs/dbraw/zinc/95/55/87/847955587.db2.gz YOSVUGPJFJMHDD-CWFSZBLJSA-N 2 2 379.470 3.856 20 0 GHADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423066704 847959809 /nfs/dbraw/zinc/95/98/09/847959809.db2.gz FIUIZPODOWRVGL-JSGCOSHPSA-N 2 2 376.850 3.747 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423088173 847972987 /nfs/dbraw/zinc/97/29/87/847972987.db2.gz RDMZLYMWUZECMN-YGOYIFOWSA-N 2 2 379.548 3.995 20 0 GHADLP C[C@H](CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)[C@@H]1CCC[NH2+]C1 ZINC000237408577 848119933 /nfs/dbraw/zinc/11/99/33/848119933.db2.gz PGVPXLZLFXMENN-MDZRGWNJSA-N 2 2 395.950 3.586 20 0 GHADLP C[C@H](CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)[C@@H]1CCC[NH2+]C1 ZINC000237408577 848119941 /nfs/dbraw/zinc/11/99/41/848119941.db2.gz PGVPXLZLFXMENN-MDZRGWNJSA-N 2 2 395.950 3.586 20 0 GHADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000548765041 848321820 /nfs/dbraw/zinc/32/18/20/848321820.db2.gz CXKFSPZGECJDTC-AWEZNQCLSA-N 2 2 377.330 3.659 20 0 GHADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000548765041 848321829 /nfs/dbraw/zinc/32/18/29/848321829.db2.gz CXKFSPZGECJDTC-AWEZNQCLSA-N 2 2 377.330 3.659 20 0 GHADLP COc1ccc([C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C2CC2)cc1 ZINC000180053671 861925802 /nfs/dbraw/zinc/92/58/02/861925802.db2.gz PCSAXFGPGJJPDP-XMMPIXPASA-N 2 2 396.531 3.647 20 0 GHADLP CCc1ccc([C@@H]([NH2+]CCC[NH2+]C(C)C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000582958566 848768859 /nfs/dbraw/zinc/76/88/59/848768859.db2.gz BIGCAINEZWAGNL-JOCHJYFZSA-N 2 2 388.577 3.720 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1)C1CC1 ZINC000511219406 848773381 /nfs/dbraw/zinc/77/33/81/848773381.db2.gz AZLZHERNFRIGMG-UHFFFAOYSA-N 2 2 388.515 3.846 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1)C1CC1 ZINC000511219406 848773383 /nfs/dbraw/zinc/77/33/83/848773383.db2.gz AZLZHERNFRIGMG-UHFFFAOYSA-N 2 2 388.515 3.846 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000673833935 861941669 /nfs/dbraw/zinc/94/16/69/861941669.db2.gz PSQJYXHAIHVIPO-JOCHJYFZSA-N 2 2 392.478 3.601 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000673833935 861941688 /nfs/dbraw/zinc/94/16/88/861941688.db2.gz PSQJYXHAIHVIPO-JOCHJYFZSA-N 2 2 392.478 3.601 20 0 GHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000162133144 848830877 /nfs/dbraw/zinc/83/08/77/848830877.db2.gz IRTZZRKVSFUQCY-SFHVURJKSA-N 2 2 386.561 3.714 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000423164466 849779289 /nfs/dbraw/zinc/77/92/89/849779289.db2.gz SOUSYJOVQSBCST-KPFFTGBYSA-N 2 2 381.545 3.937 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000423325423 849866317 /nfs/dbraw/zinc/86/63/17/849866317.db2.gz IQDULGAQIOWZJN-AVCGJXAMSA-N 2 2 395.547 3.764 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)cc1F ZINC000127115623 849908067 /nfs/dbraw/zinc/90/80/67/849908067.db2.gz OSECMVPNSZXOOP-ZIAGYGMSSA-N 2 2 385.321 3.740 20 0 GHADLP [NH3+]CCCN(CC1CCCC1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000414749161 849966465 /nfs/dbraw/zinc/96/64/65/849966465.db2.gz JXVDNVQUWCJESX-UHFFFAOYSA-N 2 2 379.574 3.502 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435056029 850030098 /nfs/dbraw/zinc/03/00/98/850030098.db2.gz FFIIJGBSFYJUCA-UHFFFAOYSA-N 2 2 385.508 3.625 20 0 GHADLP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000423829863 850078165 /nfs/dbraw/zinc/07/81/65/850078165.db2.gz PNZZKBZGJFLVRP-GESALYCCSA-N 2 2 375.875 3.674 20 0 GHADLP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000423829863 850078181 /nfs/dbraw/zinc/07/81/81/850078181.db2.gz PNZZKBZGJFLVRP-GESALYCCSA-N 2 2 375.875 3.674 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1ccco1 ZINC000518891189 850287265 /nfs/dbraw/zinc/28/72/65/850287265.db2.gz OOGSXHACKRNQIH-MJGOQNOKSA-N 2 2 377.916 3.735 20 0 GHADLP CC(C)C[C@@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(=O)OC(C)(C)C ZINC000424325274 850363377 /nfs/dbraw/zinc/36/33/77/850363377.db2.gz MMLJXRBVJNALHN-IBGZPJMESA-N 2 2 375.557 3.640 20 0 GHADLP Cc1cc(N2CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000487084855 850436506 /nfs/dbraw/zinc/43/65/06/850436506.db2.gz NWSLKMNDNUCFNC-KRWDZBQOSA-N 2 2 376.545 3.541 20 0 GHADLP Cc1cc(N2CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000487084855 850436515 /nfs/dbraw/zinc/43/65/15/850436515.db2.gz NWSLKMNDNUCFNC-KRWDZBQOSA-N 2 2 376.545 3.541 20 0 GHADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000506688089 850438890 /nfs/dbraw/zinc/43/88/90/850438890.db2.gz FBMFFWIUMFYMMA-FQEVSTJZSA-N 2 2 396.441 3.968 20 0 GHADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000506688089 850438900 /nfs/dbraw/zinc/43/89/00/850438900.db2.gz FBMFFWIUMFYMMA-FQEVSTJZSA-N 2 2 396.441 3.968 20 0 GHADLP Cn1ccnc1C[N@H+](Cc1cccc(-c2ccccn2)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435423330 850503769 /nfs/dbraw/zinc/50/37/69/850503769.db2.gz SYBADDOEIKKFIC-JOCHJYFZSA-N 2 2 387.531 3.626 20 0 GHADLP Cn1ccnc1C[N@@H+](Cc1cccc(-c2ccccn2)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435423330 850503773 /nfs/dbraw/zinc/50/37/73/850503773.db2.gz SYBADDOEIKKFIC-JOCHJYFZSA-N 2 2 387.531 3.626 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1ccc2ncccc2c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435440292 850530389 /nfs/dbraw/zinc/53/03/89/850530389.db2.gz VJMQNSNQJQTFFW-NRFANRHFSA-N 2 2 375.520 3.596 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1ccc2ncccc2c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435440292 850530393 /nfs/dbraw/zinc/53/03/93/850530393.db2.gz VJMQNSNQJQTFFW-NRFANRHFSA-N 2 2 375.520 3.596 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)Cc1ccc2ccccc2c1 ZINC000514996677 850565497 /nfs/dbraw/zinc/56/54/97/850565497.db2.gz JGAWMAUFTORRNA-NRFANRHFSA-N 2 2 375.447 3.858 20 0 GHADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414814527 850687476 /nfs/dbraw/zinc/68/74/76/850687476.db2.gz ZGHOPUMONVZCAH-KRWDZBQOSA-N 2 2 377.330 3.585 20 0 GHADLP C[N@H+](CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435613028 850698661 /nfs/dbraw/zinc/69/86/61/850698661.db2.gz AJSHMTDVXUUJJD-RBBKRZOGSA-N 2 2 385.939 3.620 20 0 GHADLP C[N@@H+](CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435613028 850698668 /nfs/dbraw/zinc/69/86/68/850698668.db2.gz AJSHMTDVXUUJJD-RBBKRZOGSA-N 2 2 385.939 3.620 20 0 GHADLP CCn1ccnc1C[N@H+](CCOc1ccccc1Cl)[C@H]1CC12CC[NH2+]CC2 ZINC000435691354 850771276 /nfs/dbraw/zinc/77/12/76/850771276.db2.gz DMFAZQBJQVRRHE-IBGZPJMESA-N 2 2 388.943 3.580 20 0 GHADLP CCn1ccnc1C[N@@H+](CCOc1ccccc1Cl)[C@H]1CC12CC[NH2+]CC2 ZINC000435691354 850771282 /nfs/dbraw/zinc/77/12/82/850771282.db2.gz DMFAZQBJQVRRHE-IBGZPJMESA-N 2 2 388.943 3.580 20 0 GHADLP CC[N@H+](C[C@@H](O)Cc1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000425422756 851024125 /nfs/dbraw/zinc/02/41/25/851024125.db2.gz YCIIDCQUDKIXBH-QFIPXVFZSA-N 2 2 396.579 3.803 20 0 GHADLP CC[N@@H+](C[C@@H](O)Cc1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000425422756 851024136 /nfs/dbraw/zinc/02/41/36/851024136.db2.gz YCIIDCQUDKIXBH-QFIPXVFZSA-N 2 2 396.579 3.803 20 0 GHADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(Oc3cnccn3)cc2)cc1 ZINC000414875837 851061209 /nfs/dbraw/zinc/06/12/09/851061209.db2.gz CKJPXZKGLPTJPF-FGZHOGPDSA-N 2 2 390.487 3.513 20 0 GHADLP C[C@H]([NH2+]Cc1cn2ccc(Br)cc2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000519482978 851118831 /nfs/dbraw/zinc/11/88/31/851118831.db2.gz HUYOGPSEUPRUCY-GJZGRUSLSA-N 2 2 391.357 3.839 20 0 GHADLP C[C@H]([NH2+]Cc1cn2ccc(Br)cc2n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000519482978 851118839 /nfs/dbraw/zinc/11/88/39/851118839.db2.gz HUYOGPSEUPRUCY-GJZGRUSLSA-N 2 2 391.357 3.839 20 0 GHADLP OCC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)cc1 ZINC000515534283 851141624 /nfs/dbraw/zinc/14/16/24/851141624.db2.gz SDOLSOAAJBZTNU-FGZHOGPDSA-N 2 2 388.939 3.644 20 0 GHADLP OCC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)cc1 ZINC000515534283 851141630 /nfs/dbraw/zinc/14/16/30/851141630.db2.gz SDOLSOAAJBZTNU-FGZHOGPDSA-N 2 2 388.939 3.644 20 0 GHADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414877669 851192106 /nfs/dbraw/zinc/19/21/06/851192106.db2.gz MKPATJBRUYZOQA-UHFFFAOYSA-N 2 2 397.954 3.866 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc3ccccc3C1)CCCS2 ZINC000187755477 851248680 /nfs/dbraw/zinc/24/86/80/851248680.db2.gz JYXLOXMTUMCWLA-KNQAVFIVSA-N 2 2 398.572 3.631 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc3ccccc3C1)CCCS2 ZINC000187755477 851248688 /nfs/dbraw/zinc/24/86/88/851248688.db2.gz JYXLOXMTUMCWLA-KNQAVFIVSA-N 2 2 398.572 3.631 20 0 GHADLP Cc1nc(COc2ccc(C[NH2+]C[C@H]([NH3+])c3ccc(C(C)C)cc3)cc2)no1 ZINC000414847990 851323082 /nfs/dbraw/zinc/32/30/82/851323082.db2.gz PHVZFPJZGUAEPZ-NRFANRHFSA-N 2 2 380.492 3.870 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000425148425 851495639 /nfs/dbraw/zinc/49/56/39/851495639.db2.gz NQERRHWCNFIJJG-JOCHJYFZSA-N 2 2 388.515 3.713 20 0 GHADLP COc1ccc(F)c(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000550121931 851665500 /nfs/dbraw/zinc/66/55/00/851665500.db2.gz BWNWNMVBMYFWNY-OAHLLOKOSA-N 2 2 375.463 3.576 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(Br)n2)[C@@H](C)C1 ZINC000925077301 851832826 /nfs/dbraw/zinc/83/28/26/851832826.db2.gz FHOFBSGCSWWBKH-XHSDSOJGSA-N 2 2 384.362 3.632 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(Br)n2)[C@@H](C)C1 ZINC000925077301 851832836 /nfs/dbraw/zinc/83/28/36/851832836.db2.gz FHOFBSGCSWWBKH-XHSDSOJGSA-N 2 2 384.362 3.632 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OCc3ccccc3F)c2)C[C@H](C)O1 ZINC000517542835 852072491 /nfs/dbraw/zinc/07/24/91/852072491.db2.gz DSYUTOQDYNMVSN-KDURUIRLSA-N 2 2 386.511 3.994 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(OCc3ccccc3F)c2)C[C@H](C)O1 ZINC000517542835 852072498 /nfs/dbraw/zinc/07/24/98/852072498.db2.gz DSYUTOQDYNMVSN-KDURUIRLSA-N 2 2 386.511 3.994 20 0 GHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000517561462 852099258 /nfs/dbraw/zinc/09/92/58/852099258.db2.gz MZFCLTDYYINQAJ-QGZVFWFLSA-N 2 2 396.318 3.683 20 0 GHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000517561462 852099261 /nfs/dbraw/zinc/09/92/61/852099261.db2.gz MZFCLTDYYINQAJ-QGZVFWFLSA-N 2 2 396.318 3.683 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](c3ncc[nH]3)C3CCCCC3)cc2)CC1 ZINC000514097936 852116540 /nfs/dbraw/zinc/11/65/40/852116540.db2.gz CCTKBDAJSRUWQT-QHCPKHFHSA-N 2 2 395.595 3.958 20 0 GHADLP CN(C(=O)/C=C/c1ccc(C(C)(C)C)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732558920 862355844 /nfs/dbraw/zinc/35/58/44/862355844.db2.gz DTKHHZMEJJQCBT-YVWYTEFXSA-N 2 2 383.580 3.624 20 0 GHADLP CN(C(=O)/C=C/c1ccc(C(C)(C)C)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732558920 862355862 /nfs/dbraw/zinc/35/58/62/862355862.db2.gz DTKHHZMEJJQCBT-YVWYTEFXSA-N 2 2 383.580 3.624 20 0 GHADLP C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1 ZINC000425671059 852588695 /nfs/dbraw/zinc/58/86/95/852588695.db2.gz HEHGHYCBOQKADV-KRWDZBQOSA-N 2 2 381.524 3.834 20 0 GHADLP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)[nH]c1C(C)C ZINC000894360083 852647611 /nfs/dbraw/zinc/64/76/11/852647611.db2.gz VHGMBABNFRMWDV-INIZCTEOSA-N 2 2 384.524 3.635 20 0 GHADLP Cn1cc(-c2ccc(C[NH2+][C@H]3C[NH2+]CC[C@H]3c3ccc(F)c(F)c3)s2)cn1 ZINC000414954415 852873117 /nfs/dbraw/zinc/87/31/17/852873117.db2.gz KQMMWPQDCYXXNW-LPHOPBHVSA-N 2 2 388.487 3.662 20 0 GHADLP CC(C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc2c(c1)OCCO2 ZINC000507486863 852968001 /nfs/dbraw/zinc/96/80/01/852968001.db2.gz PWRYRZJMYWLSMB-UHFFFAOYSA-N 2 2 386.458 3.742 20 0 GHADLP c1nc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)sc1C1OCCO1 ZINC000289314917 852970733 /nfs/dbraw/zinc/97/07/33/852970733.db2.gz SLARTFZJEZLEBR-UHFFFAOYSA-N 2 2 387.549 3.854 20 0 GHADLP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[NH2+]Cc2ccccc21 ZINC000516927501 853165320 /nfs/dbraw/zinc/16/53/20/853165320.db2.gz NZDQARXKYWWPMT-SFHVURJKSA-N 2 2 378.520 3.630 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](CCCOc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000517120756 853404113 /nfs/dbraw/zinc/40/41/13/853404113.db2.gz MANCLCWANBBJHS-UHFFFAOYSA-N 2 2 395.425 3.700 20 0 GHADLP CCOc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1OCC(F)(F)F ZINC000519722216 853406738 /nfs/dbraw/zinc/40/67/38/853406738.db2.gz HEYHTVNTWCUSRS-IBGZPJMESA-N 2 2 386.458 3.944 20 0 GHADLP CCOc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1OCC(F)(F)F ZINC000519722216 853406744 /nfs/dbraw/zinc/40/67/44/853406744.db2.gz HEYHTVNTWCUSRS-IBGZPJMESA-N 2 2 386.458 3.944 20 0 GHADLP CCOc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1OCC(F)(F)F ZINC000519722216 853406749 /nfs/dbraw/zinc/40/67/49/853406749.db2.gz HEYHTVNTWCUSRS-IBGZPJMESA-N 2 2 386.458 3.944 20 0 GHADLP CCOc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1OCC(F)(F)F ZINC000519722216 853406754 /nfs/dbraw/zinc/40/67/54/853406754.db2.gz HEYHTVNTWCUSRS-IBGZPJMESA-N 2 2 386.458 3.944 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000519725478 853410299 /nfs/dbraw/zinc/41/02/99/853410299.db2.gz MZNCXODFLATANH-AUUYWEPGSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000519725478 853410303 /nfs/dbraw/zinc/41/03/03/853410303.db2.gz MZNCXODFLATANH-AUUYWEPGSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000519725478 853410306 /nfs/dbraw/zinc/41/03/06/853410306.db2.gz MZNCXODFLATANH-AUUYWEPGSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000519725478 853410312 /nfs/dbraw/zinc/41/03/12/853410312.db2.gz MZNCXODFLATANH-AUUYWEPGSA-N 2 2 391.357 3.715 20 0 GHADLP FC(F)(F)c1cccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000517226375 853536056 /nfs/dbraw/zinc/53/60/56/853536056.db2.gz QHLLEXXMAIVZQD-HOCLYGCPSA-N 2 2 380.414 3.719 20 0 GHADLP FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000517226375 853536064 /nfs/dbraw/zinc/53/60/64/853536064.db2.gz QHLLEXXMAIVZQD-HOCLYGCPSA-N 2 2 380.414 3.719 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)CCOCC1)c1ccccc1 ZINC000571015189 853717151 /nfs/dbraw/zinc/71/71/51/853717151.db2.gz LLNJUKJPSOYXRN-NNWRFLSQSA-N 2 2 396.579 3.936 20 0 GHADLP Cc1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c2ccccc2n1 ZINC000188314854 854006791 /nfs/dbraw/zinc/00/67/91/854006791.db2.gz FNEDWKAZMMLHKX-XMMPIXPASA-N 2 2 375.516 3.612 20 0 GHADLP Cc1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c2ccccc2n1 ZINC000188314854 854006793 /nfs/dbraw/zinc/00/67/93/854006793.db2.gz FNEDWKAZMMLHKX-XMMPIXPASA-N 2 2 375.516 3.612 20 0 GHADLP Cc1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc2n1 ZINC000188314854 854006796 /nfs/dbraw/zinc/00/67/96/854006796.db2.gz FNEDWKAZMMLHKX-XMMPIXPASA-N 2 2 375.516 3.612 20 0 GHADLP Cc1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2n1 ZINC000188314854 854006798 /nfs/dbraw/zinc/00/67/98/854006798.db2.gz FNEDWKAZMMLHKX-XMMPIXPASA-N 2 2 375.516 3.612 20 0 GHADLP CC(C)[C@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@H](C)[NH3+] ZINC000571796023 854158033 /nfs/dbraw/zinc/15/80/33/854158033.db2.gz TYZKIGVVPXDALS-MBSDFSHPSA-N 2 2 390.531 3.834 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NCCc2ccccc2)c(C)c1 ZINC000441376736 854159523 /nfs/dbraw/zinc/15/95/23/854159523.db2.gz FNFFAIKIINKESJ-REWPJTCUSA-N 2 2 390.531 3.578 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000441413774 854191240 /nfs/dbraw/zinc/19/12/40/854191240.db2.gz ZIWLUIJHNOWWHQ-WTNAPCKOSA-N 2 2 385.527 3.578 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000441413774 854191241 /nfs/dbraw/zinc/19/12/41/854191241.db2.gz ZIWLUIJHNOWWHQ-WTNAPCKOSA-N 2 2 385.527 3.578 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000441413774 854191245 /nfs/dbraw/zinc/19/12/45/854191245.db2.gz ZIWLUIJHNOWWHQ-WTNAPCKOSA-N 2 2 385.527 3.578 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000441413774 854191247 /nfs/dbraw/zinc/19/12/47/854191247.db2.gz ZIWLUIJHNOWWHQ-WTNAPCKOSA-N 2 2 385.527 3.578 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1Nc1ccccc1 ZINC000112921583 854362030 /nfs/dbraw/zinc/36/20/30/854362030.db2.gz MFLHDRUJMTURLA-UHFFFAOYSA-N 2 2 380.536 3.528 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1Nc1ccccc1 ZINC000112921583 854362036 /nfs/dbraw/zinc/36/20/36/854362036.db2.gz MFLHDRUJMTURLA-UHFFFAOYSA-N 2 2 380.536 3.528 20 0 GHADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C[C@H]1C ZINC000458893545 854475795 /nfs/dbraw/zinc/47/57/95/854475795.db2.gz XTBMOHFNZRPYQV-HZPDHXFCSA-N 2 2 389.931 3.540 20 0 GHADLP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C[C@H]1C ZINC000458893545 854475803 /nfs/dbraw/zinc/47/58/03/854475803.db2.gz XTBMOHFNZRPYQV-HZPDHXFCSA-N 2 2 389.931 3.540 20 0 GHADLP CCCCOc1ccc(-c2nnc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000572374328 854493336 /nfs/dbraw/zinc/49/33/36/854493336.db2.gz FFGCCWDNXZKONM-KRWDZBQOSA-N 2 2 381.480 3.639 20 0 GHADLP CCCCOc1ccc(-c2nnc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000572374328 854493341 /nfs/dbraw/zinc/49/33/41/854493341.db2.gz FFGCCWDNXZKONM-KRWDZBQOSA-N 2 2 381.480 3.639 20 0 GHADLP CCOC(=O)COc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000589203779 854747178 /nfs/dbraw/zinc/74/71/78/854747178.db2.gz FLFQWHDMWDZQJH-UHFFFAOYSA-N 2 2 396.531 3.725 20 0 GHADLP CCOC(=O)COc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000589203779 854747180 /nfs/dbraw/zinc/74/71/80/854747180.db2.gz FLFQWHDMWDZQJH-UHFFFAOYSA-N 2 2 396.531 3.725 20 0 GHADLP C[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000604884694 862599693 /nfs/dbraw/zinc/59/96/93/862599693.db2.gz DDXIURGOBWHLHC-VXKWHMMOSA-N 2 2 378.564 3.719 20 0 GHADLP C[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000604884694 862599703 /nfs/dbraw/zinc/59/97/03/862599703.db2.gz DDXIURGOBWHLHC-VXKWHMMOSA-N 2 2 378.564 3.719 20 0 GHADLP Cc1ccccc1[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001128010892 854799746 /nfs/dbraw/zinc/79/97/46/854799746.db2.gz JQWMMROENSQTOJ-VJBMBRPKSA-N 2 2 385.596 3.894 20 0 GHADLP Cc1ccccc1[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001128010892 854799751 /nfs/dbraw/zinc/79/97/51/854799751.db2.gz JQWMMROENSQTOJ-VJBMBRPKSA-N 2 2 385.596 3.894 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000572709460 854942325 /nfs/dbraw/zinc/94/23/25/854942325.db2.gz CWLLFSDGMWUKIW-SFHVURJKSA-N 2 2 381.520 3.673 20 0 GHADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(I)cc1 ZINC000614637366 855918538 /nfs/dbraw/zinc/91/85/38/855918538.db2.gz MBJKYKBTQMLOPO-GJZGRUSLSA-N 2 2 381.261 3.543 20 0 GHADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181061563 862735831 /nfs/dbraw/zinc/73/58/31/862735831.db2.gz BFOZVYYIPYRTHC-QGZVFWFLSA-N 2 2 398.507 3.664 20 0 GHADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181061563 862735844 /nfs/dbraw/zinc/73/58/44/862735844.db2.gz BFOZVYYIPYRTHC-QGZVFWFLSA-N 2 2 398.507 3.664 20 0 GHADLP CCC[N@H+](C)C[C@@H]1CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)C1 ZINC000520654816 855924589 /nfs/dbraw/zinc/92/45/89/855924589.db2.gz PSFRMBRTSRBNIS-HNNXBMFYSA-N 2 2 379.346 3.569 20 0 GHADLP CCC[N@@H+](C)C[C@@H]1CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)C1 ZINC000520654816 855924598 /nfs/dbraw/zinc/92/45/98/855924598.db2.gz PSFRMBRTSRBNIS-HNNXBMFYSA-N 2 2 379.346 3.569 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1cccs1 ZINC000043517678 856537682 /nfs/dbraw/zinc/53/76/82/856537682.db2.gz PCHBBDDQJOXPES-OAHLLOKOSA-N 2 2 393.582 3.615 20 0 GHADLP COc1ccc([C@@H]2C[C@@H](N(c3cc[nH+]cc3F)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168676529 856592995 /nfs/dbraw/zinc/59/29/95/856592995.db2.gz NOQLNVDLAWLGSU-AVRDEDQJSA-N 2 2 385.483 3.708 20 0 GHADLP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000281054455 862824243 /nfs/dbraw/zinc/82/42/43/862824243.db2.gz RDTFEGKESICZMJ-UHFFFAOYSA-N 2 2 392.507 3.945 20 0 GHADLP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc(S(=O)(=O)C(C)C)cc3)C2)[nH+]1 ZINC000542914440 856772825 /nfs/dbraw/zinc/77/28/25/856772825.db2.gz AHHYCYDVCIJQCN-LJQANCHMSA-N 2 2 387.549 3.506 20 0 GHADLP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc(S(=O)(=O)C(C)C)cc3)C2)[nH+]1 ZINC000542914440 856772833 /nfs/dbraw/zinc/77/28/33/856772833.db2.gz AHHYCYDVCIJQCN-LJQANCHMSA-N 2 2 387.549 3.506 20 0 GHADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCSc3cc(Cl)ccc3Cl)CC2)C1 ZINC000605151015 862834703 /nfs/dbraw/zinc/83/47/03/862834703.db2.gz WERMOPVATKKMGY-MRXNPFEDSA-N 2 2 388.408 3.797 20 0 GHADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCSc3cc(Cl)ccc3Cl)CC2)C1 ZINC000605151015 862834725 /nfs/dbraw/zinc/83/47/25/862834725.db2.gz WERMOPVATKKMGY-MRXNPFEDSA-N 2 2 388.408 3.797 20 0 GHADLP Cc1ccc(-c2ccc(C[NH2+]CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)s2)cc1 ZINC000508048073 856851948 /nfs/dbraw/zinc/85/19/48/856851948.db2.gz YUPYPIGSQLDSJY-HXUWFJFHSA-N 2 2 385.577 3.756 20 0 GHADLP Cc1ccc(-c2ccc(C[NH2+]CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)s2)cc1 ZINC000508048073 856851951 /nfs/dbraw/zinc/85/19/51/856851951.db2.gz YUPYPIGSQLDSJY-HXUWFJFHSA-N 2 2 385.577 3.756 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@H](C3CCCCC3)[NH+](C)C)cn2c1 ZINC000046949611 856951669 /nfs/dbraw/zinc/95/16/69/856951669.db2.gz UTIZLFDYGMBYGO-LJQANCHMSA-N 2 2 388.581 3.503 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)cn2c1 ZINC000046992124 856959412 /nfs/dbraw/zinc/95/94/12/856959412.db2.gz KIYBJRSRAGATOP-QGZVFWFLSA-N 2 2 388.581 3.504 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)cn2c1 ZINC000046992124 856959416 /nfs/dbraw/zinc/95/94/16/856959416.db2.gz KIYBJRSRAGATOP-QGZVFWFLSA-N 2 2 388.581 3.504 20 0 GHADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)c1ccc(OC)c(OC)c1 ZINC000665256903 857116919 /nfs/dbraw/zinc/11/69/19/857116919.db2.gz RDPPOFCSKHKUQH-NJDAHSKKSA-N 2 2 384.520 3.899 20 0 GHADLP C[C@@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)C[NH+]1CCCC1 ZINC000112372242 857127446 /nfs/dbraw/zinc/12/74/46/857127446.db2.gz UOYCVYCKSZMORB-AWEZNQCLSA-N 2 2 377.330 3.661 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000444799134 857146318 /nfs/dbraw/zinc/14/63/18/857146318.db2.gz GXUFHEFWJYBXFF-NRFANRHFSA-N 2 2 388.515 3.833 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000444799134 857146320 /nfs/dbraw/zinc/14/63/20/857146320.db2.gz GXUFHEFWJYBXFF-NRFANRHFSA-N 2 2 388.515 3.833 20 0 GHADLP C[C@H]1CC([NH2+]CC(=O)N2CCc3ccccc32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012365 857358262 /nfs/dbraw/zinc/35/82/62/857358262.db2.gz ZEOJSJMIGRYOKX-OALUTQOASA-N 2 2 377.532 3.607 20 0 GHADLP C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000656587427 857379488 /nfs/dbraw/zinc/37/94/88/857379488.db2.gz AOVNJWNRDNDAOG-KRWDZBQOSA-N 2 2 381.524 3.740 20 0 GHADLP C[N@H+]1CCC[C@@H](CCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000656587427 857379500 /nfs/dbraw/zinc/37/95/00/857379500.db2.gz AOVNJWNRDNDAOG-KRWDZBQOSA-N 2 2 381.524 3.740 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000442247780 857652713 /nfs/dbraw/zinc/65/27/13/857652713.db2.gz FIVLTZVLQUZOGV-IFMALSPDSA-N 2 2 397.567 3.757 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c(C)c1 ZINC000442247780 857652718 /nfs/dbraw/zinc/65/27/18/857652718.db2.gz FIVLTZVLQUZOGV-IFMALSPDSA-N 2 2 397.567 3.757 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc(C[NH+]2CCCC2)c1 ZINC000066410657 857929601 /nfs/dbraw/zinc/92/96/01/857929601.db2.gz HZWWEEQKLJVHOA-UHFFFAOYSA-N 2 2 384.549 3.977 20 0 GHADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000066726127 857961548 /nfs/dbraw/zinc/96/15/48/857961548.db2.gz QWLSSOZGGWPAIY-UHFFFAOYSA-N 2 2 376.504 3.655 20 0 GHADLP COC(=O)C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1 ZINC001168371491 857980576 /nfs/dbraw/zinc/98/05/76/857980576.db2.gz NDLWOYWIWPLMDA-SFHVURJKSA-N 2 2 395.341 3.517 20 0 GHADLP Cc1c2ccc(F)cc2sc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673001884 858001839 /nfs/dbraw/zinc/00/18/39/858001839.db2.gz LVJYOJSWTJJBBQ-QGZVFWFLSA-N 2 2 389.540 3.589 20 0 GHADLP Cc1c2ccc(F)cc2sc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673001884 858001852 /nfs/dbraw/zinc/00/18/52/858001852.db2.gz LVJYOJSWTJJBBQ-QGZVFWFLSA-N 2 2 389.540 3.589 20 0 GHADLP C[N@H+](CC(=O)NCCC(c1ccccc1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442782771 858122306 /nfs/dbraw/zinc/12/23/06/858122306.db2.gz SAJSURJZBVWWRT-AIZNXBIQSA-N 2 2 391.559 3.540 20 0 GHADLP C[N@@H+](CC(=O)NCCC(c1ccccc1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442782771 858122316 /nfs/dbraw/zinc/12/23/16/858122316.db2.gz SAJSURJZBVWWRT-AIZNXBIQSA-N 2 2 391.559 3.540 20 0 GHADLP Cc1oc2nc(C[N@@H+]3CCCC[C@@H]3[C@H](C[NH3+])Cc3ccccc3)nc(N)c2c1C ZINC000574637882 858126071 /nfs/dbraw/zinc/12/60/71/858126071.db2.gz JDTCDJRCBSGQJH-RBUKOAKNSA-N 2 2 393.535 3.594 20 0 GHADLP Cc1oc2nc(C[N@H+]3CCCC[C@@H]3[C@H](C[NH3+])Cc3ccccc3)nc(N)c2c1C ZINC000574637882 858126078 /nfs/dbraw/zinc/12/60/78/858126078.db2.gz JDTCDJRCBSGQJH-RBUKOAKNSA-N 2 2 393.535 3.594 20 0 GHADLP COc1cc(OC)c([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000765973749 858173332 /nfs/dbraw/zinc/17/33/32/858173332.db2.gz FDXMRDGLCUSTKI-ZBFHGGJFSA-N 2 2 382.932 3.651 20 0 GHADLP COc1cc(OC)c([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000765973747 858173529 /nfs/dbraw/zinc/17/35/29/858173529.db2.gz FDXMRDGLCUSTKI-GOEBONIOSA-N 2 2 382.932 3.651 20 0 GHADLP O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000761117697 858555896 /nfs/dbraw/zinc/55/58/96/858555896.db2.gz LQIKAVGTFXVPBJ-INIZCTEOSA-N 2 2 396.318 3.705 20 0 GHADLP CC(C)C[C@@H]1CCCCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466178678 858608348 /nfs/dbraw/zinc/60/83/48/858608348.db2.gz QSRWJOUKFUGDTB-NRFANRHFSA-N 2 2 392.632 3.937 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(-c2ccccc2F)s1 ZINC000482644649 858718989 /nfs/dbraw/zinc/71/89/89/858718989.db2.gz DUMFGZUMCFGYEJ-WMLDXEAASA-N 2 2 375.513 3.545 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(-c2ccccc2F)s1 ZINC000482644649 858718998 /nfs/dbraw/zinc/71/89/98/858718998.db2.gz DUMFGZUMCFGYEJ-WMLDXEAASA-N 2 2 375.513 3.545 20 0 GHADLP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000183401912 858737786 /nfs/dbraw/zinc/73/77/86/858737786.db2.gz UFOVOQOUHDFVGL-HSZRJFAPSA-N 2 2 390.531 3.598 20 0 GHADLP O=C(C[NH2+]C1(c2ccccc2)CCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000183542342 858769706 /nfs/dbraw/zinc/76/97/06/858769706.db2.gz KLYRQJAFUNGYTK-UHFFFAOYSA-N 2 2 393.531 3.516 20 0 GHADLP CSc1ccccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183669532 858791524 /nfs/dbraw/zinc/79/15/24/858791524.db2.gz MDOAQWDFZWPXPI-UXHICEINSA-N 2 2 389.609 3.818 20 0 GHADLP CSc1ccccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183669532 858791530 /nfs/dbraw/zinc/79/15/30/858791530.db2.gz MDOAQWDFZWPXPI-UXHICEINSA-N 2 2 389.609 3.818 20 0 GHADLP CN(C(=O)c1cccc2c1CCC2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183672386 858792546 /nfs/dbraw/zinc/79/25/46/858792546.db2.gz ONGYBDDELXGFKX-GOTSBHOMSA-N 2 2 383.580 3.585 20 0 GHADLP CN(C(=O)c1cccc2c1CCC2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183672386 858792549 /nfs/dbraw/zinc/79/25/49/858792549.db2.gz ONGYBDDELXGFKX-GOTSBHOMSA-N 2 2 383.580 3.585 20 0 GHADLP Cc1c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cnn1-c1cccc(Cl)c1 ZINC000482737912 858808784 /nfs/dbraw/zinc/80/87/84/858808784.db2.gz CLPQURZIMOHNSX-JXFKEZNVSA-N 2 2 390.959 3.578 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)CC2)cc1 ZINC000474082465 858839258 /nfs/dbraw/zinc/83/92/58/858839258.db2.gz OTEGPBWJDSDYHM-DSNGMDLFSA-N 2 2 399.623 3.769 20 0 GHADLP O=C(C[N@H+]1CCCC(F)(F)CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000625767567 858863691 /nfs/dbraw/zinc/86/36/91/858863691.db2.gz LOLAAKRFAZOPBT-SFHVURJKSA-N 2 2 399.913 3.714 20 0 GHADLP O=C(C[N@@H+]1CCCC(F)(F)CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000625767567 858863703 /nfs/dbraw/zinc/86/37/03/858863703.db2.gz LOLAAKRFAZOPBT-SFHVURJKSA-N 2 2 399.913 3.714 20 0 GHADLP Cn1ccc([C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c2ccc(Cl)cc2)n1 ZINC000543601523 858928417 /nfs/dbraw/zinc/92/84/17/858928417.db2.gz LNTZLSGGZVBZIP-JOCHJYFZSA-N 2 2 398.938 3.893 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(F)c(F)c3F)C2)ccn1 ZINC000856550890 881367785 /nfs/dbraw/zinc/36/77/85/881367785.db2.gz YDOMQTOWPITMQW-KRWDZBQOSA-N 2 2 379.426 3.604 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(F)c(F)c3F)C2)ccn1 ZINC000856550890 881367805 /nfs/dbraw/zinc/36/78/05/881367805.db2.gz YDOMQTOWPITMQW-KRWDZBQOSA-N 2 2 379.426 3.604 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3F)C2)ccn1 ZINC000856550890 881367822 /nfs/dbraw/zinc/36/78/22/881367822.db2.gz YDOMQTOWPITMQW-KRWDZBQOSA-N 2 2 379.426 3.604 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3F)C2)ccn1 ZINC000856550890 881367841 /nfs/dbraw/zinc/36/78/41/881367841.db2.gz YDOMQTOWPITMQW-KRWDZBQOSA-N 2 2 379.426 3.604 20 0 GHADLP COc1cc2c(cc1OC)[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CC2 ZINC000479366871 859019874 /nfs/dbraw/zinc/01/98/74/859019874.db2.gz YMLVRICKGNGFBZ-FQEVSTJZSA-N 2 2 377.488 3.768 20 0 GHADLP c1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n(-c2cc[nH+]cc2)n1 ZINC000668189752 859058282 /nfs/dbraw/zinc/05/82/82/859058282.db2.gz NZDHYFQPDKADMD-UHFFFAOYSA-N 3 2 387.531 3.755 20 0 GHADLP c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n(-c2cc[nH+]cc2)n1 ZINC000668189752 859058294 /nfs/dbraw/zinc/05/82/94/859058294.db2.gz NZDHYFQPDKADMD-UHFFFAOYSA-N 3 2 387.531 3.755 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(F)c(F)c(F)c3)C2)ccn1 ZINC000856552525 881379967 /nfs/dbraw/zinc/37/99/67/881379967.db2.gz DLINDMIVZZLAET-QGZVFWFLSA-N 2 2 379.426 3.604 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(F)c(F)c(F)c3)C2)ccn1 ZINC000856552525 881380002 /nfs/dbraw/zinc/38/00/02/881380002.db2.gz DLINDMIVZZLAET-QGZVFWFLSA-N 2 2 379.426 3.604 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(F)c(F)c(F)c3)C2)ccn1 ZINC000856552525 881380026 /nfs/dbraw/zinc/38/00/26/881380026.db2.gz DLINDMIVZZLAET-QGZVFWFLSA-N 2 2 379.426 3.604 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(F)c(F)c(F)c3)C2)ccn1 ZINC000856552525 881380068 /nfs/dbraw/zinc/38/00/68/881380068.db2.gz DLINDMIVZZLAET-QGZVFWFLSA-N 2 2 379.426 3.604 20 0 GHADLP C[C@H](CCNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)[NH+]1CCCCC1 ZINC000543285204 859133065 /nfs/dbraw/zinc/13/30/65/859133065.db2.gz UIRGWKGVWAITDP-DLBZAZTESA-N 2 2 393.601 3.761 20 0 GHADLP C[C@H](CCNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)[NH+]1CCCCC1 ZINC000543285204 859133075 /nfs/dbraw/zinc/13/30/75/859133075.db2.gz UIRGWKGVWAITDP-DLBZAZTESA-N 2 2 393.601 3.761 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000483121296 859149014 /nfs/dbraw/zinc/14/90/14/859149014.db2.gz ARQDJTBDGSYKQJ-GBXCKJPGSA-N 2 2 379.548 3.838 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000483121296 859149024 /nfs/dbraw/zinc/14/90/24/859149024.db2.gz ARQDJTBDGSYKQJ-GBXCKJPGSA-N 2 2 379.548 3.838 20 0 GHADLP CNc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000625929980 859177099 /nfs/dbraw/zinc/17/70/99/859177099.db2.gz DNMSUZYMHDENHB-SFTDATJTSA-N 2 2 387.572 3.529 20 0 GHADLP CNc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000625929980 859177102 /nfs/dbraw/zinc/17/71/02/859177102.db2.gz DNMSUZYMHDENHB-SFTDATJTSA-N 2 2 387.572 3.529 20 0 GHADLP COCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000483144972 859179786 /nfs/dbraw/zinc/17/97/86/859179786.db2.gz TUHARPOZAFYRMJ-QGZVFWFLSA-N 2 2 381.476 3.757 20 0 GHADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000483280562 859266368 /nfs/dbraw/zinc/26/63/68/859266368.db2.gz VTPKJZCAPZQVHQ-FQEVSTJZSA-N 2 2 382.552 3.747 20 0 GHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000483280562 859266382 /nfs/dbraw/zinc/26/63/82/859266382.db2.gz VTPKJZCAPZQVHQ-FQEVSTJZSA-N 2 2 382.552 3.747 20 0 GHADLP CC(C)c1ccc(SCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601474076 859284789 /nfs/dbraw/zinc/28/47/89/859284789.db2.gz LQZDRNTUNRYKLF-FQEVSTJZSA-N 2 2 389.609 3.529 20 0 GHADLP CC(C)c1ccc(SCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601474076 859284803 /nfs/dbraw/zinc/28/48/03/859284803.db2.gz LQZDRNTUNRYKLF-FQEVSTJZSA-N 2 2 389.609 3.529 20 0 GHADLP CC[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc2c(c1)CCO2 ZINC000155160364 881409459 /nfs/dbraw/zinc/40/94/59/881409459.db2.gz ZIFCWFKMFIAHKS-QHCPKHFHSA-N 2 2 396.531 3.573 20 0 GHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3-n3cncn3)C2)CC1 ZINC000474160151 859383610 /nfs/dbraw/zinc/38/36/10/859383610.db2.gz PFCWKVBVKMSVKD-GOSISDBHSA-N 2 2 387.959 3.865 20 0 GHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3-n3cncn3)C2)CC1 ZINC000474160151 859383616 /nfs/dbraw/zinc/38/36/16/859383616.db2.gz PFCWKVBVKMSVKD-GOSISDBHSA-N 2 2 387.959 3.865 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483494653 859421763 /nfs/dbraw/zinc/42/17/63/859421763.db2.gz WHVDDJXZAMYKJZ-MDNUFGMLSA-N 2 2 383.580 3.620 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483494653 859421773 /nfs/dbraw/zinc/42/17/73/859421773.db2.gz WHVDDJXZAMYKJZ-MDNUFGMLSA-N 2 2 383.580 3.620 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483494653 859421780 /nfs/dbraw/zinc/42/17/80/859421780.db2.gz WHVDDJXZAMYKJZ-MDNUFGMLSA-N 2 2 383.580 3.620 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483494653 859421785 /nfs/dbraw/zinc/42/17/85/859421785.db2.gz WHVDDJXZAMYKJZ-MDNUFGMLSA-N 2 2 383.580 3.620 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483494651 859422339 /nfs/dbraw/zinc/42/23/39/859422339.db2.gz WHVDDJXZAMYKJZ-ACIOBRDBSA-N 2 2 383.580 3.620 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483494651 859422345 /nfs/dbraw/zinc/42/23/45/859422345.db2.gz WHVDDJXZAMYKJZ-ACIOBRDBSA-N 2 2 383.580 3.620 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483494651 859422348 /nfs/dbraw/zinc/42/23/48/859422348.db2.gz WHVDDJXZAMYKJZ-ACIOBRDBSA-N 2 2 383.580 3.620 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483494651 859422355 /nfs/dbraw/zinc/42/23/55/859422355.db2.gz WHVDDJXZAMYKJZ-ACIOBRDBSA-N 2 2 383.580 3.620 20 0 GHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)C1 ZINC001168532215 859465373 /nfs/dbraw/zinc/46/53/73/859465373.db2.gz GNAZKQFHCKKYCO-JYJNAYRXSA-N 2 2 393.494 3.637 20 0 GHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)C1 ZINC001168532215 859465379 /nfs/dbraw/zinc/46/53/79/859465379.db2.gz GNAZKQFHCKKYCO-JYJNAYRXSA-N 2 2 393.494 3.637 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000764571863 859507391 /nfs/dbraw/zinc/50/73/91/859507391.db2.gz LGFXNJDSOFMZMA-CVEARBPZSA-N 2 2 384.505 3.656 20 0 GHADLP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117746183 859604752 /nfs/dbraw/zinc/60/47/52/859604752.db2.gz SEHSJGYMODEUBS-UHFFFAOYSA-N 2 2 394.906 3.920 20 0 GHADLP C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000194700637 859650017 /nfs/dbraw/zinc/65/00/17/859650017.db2.gz LUIFCANZWYKIIJ-UHFFFAOYSA-N 2 2 376.504 3.509 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3nc4c5c3cccc5C(=O)c3ccccc3-4)CC[C@@H]21 ZINC000765104019 859789191 /nfs/dbraw/zinc/78/91/91/859789191.db2.gz DZHZOVSAINESKG-JXFKEZNVSA-N 2 2 386.499 3.621 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3nc4c5c3cccc5C(=O)c3ccccc3-4)CC[C@@H]21 ZINC000765104019 859789203 /nfs/dbraw/zinc/78/92/03/859789203.db2.gz DZHZOVSAINESKG-JXFKEZNVSA-N 2 2 386.499 3.621 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3nc4c5c3cccc5C(=O)c3ccccc3-4)CC[C@@H]21 ZINC000765104019 859789211 /nfs/dbraw/zinc/78/92/11/859789211.db2.gz DZHZOVSAINESKG-JXFKEZNVSA-N 2 2 386.499 3.621 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3nc4c5c3cccc5C(=O)c3ccccc3-4)CC[C@@H]21 ZINC000765104019 859789217 /nfs/dbraw/zinc/78/92/17/859789217.db2.gz DZHZOVSAINESKG-JXFKEZNVSA-N 2 2 386.499 3.621 20 0 GHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474320158 859830546 /nfs/dbraw/zinc/83/05/46/859830546.db2.gz BNYWLIRBHLVZCA-SFTDATJTSA-N 2 2 399.510 3.727 20 0 GHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474320158 859830556 /nfs/dbraw/zinc/83/05/56/859830556.db2.gz BNYWLIRBHLVZCA-SFTDATJTSA-N 2 2 399.510 3.727 20 0 GHADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1OC ZINC000484135802 859844482 /nfs/dbraw/zinc/84/44/82/859844482.db2.gz RZANVZLVLKUSIV-RCZSKKKRSA-N 2 2 398.547 3.546 20 0 GHADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1OC ZINC000484135802 859844495 /nfs/dbraw/zinc/84/44/95/859844495.db2.gz RZANVZLVLKUSIV-RCZSKKKRSA-N 2 2 398.547 3.546 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCCCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000602205069 859849414 /nfs/dbraw/zinc/84/94/14/859849414.db2.gz QYDAYLRTYTVGAA-QFIPXVFZSA-N 2 2 399.623 3.982 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCCCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000602205069 859849423 /nfs/dbraw/zinc/84/94/23/859849423.db2.gz QYDAYLRTYTVGAA-QFIPXVFZSA-N 2 2 399.623 3.982 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000484166015 859858096 /nfs/dbraw/zinc/85/80/96/859858096.db2.gz QFSUQXMNZCAJAP-IERDGZPVSA-N 2 2 376.447 3.576 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000484166015 859858110 /nfs/dbraw/zinc/85/81/10/859858110.db2.gz QFSUQXMNZCAJAP-IERDGZPVSA-N 2 2 376.447 3.576 20 0 GHADLP Cc1nc2sc3c(c2c(N[C@H]2CC[N@@H+](C4CC[NH+](C)CC4)C2)n1)CCCCC3 ZINC000602234416 859865199 /nfs/dbraw/zinc/86/51/99/859865199.db2.gz LJKYALAEYWHZRI-INIZCTEOSA-N 2 2 399.608 3.849 20 0 GHADLP Cc1nc2sc3c(c2c(N[C@H]2CC[N@H+](C4CC[NH+](C)CC4)C2)n1)CCCCC3 ZINC000602234416 859865203 /nfs/dbraw/zinc/86/52/03/859865203.db2.gz LJKYALAEYWHZRI-INIZCTEOSA-N 2 2 399.608 3.849 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1Cn1cccn1 ZINC000765251346 859866741 /nfs/dbraw/zinc/86/67/41/859866741.db2.gz OUZIKOMZHMTYFW-UWJYYQICSA-N 2 2 381.524 3.902 20 0 GHADLP CC(C)c1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(O)c(C(C)C)c1 ZINC000602330850 859958548 /nfs/dbraw/zinc/95/85/48/859958548.db2.gz WCOBSNXPLZVKHJ-SFHVURJKSA-N 2 2 387.568 3.537 20 0 GHADLP CC(C)c1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(O)c(C(C)C)c1 ZINC000602330850 859958555 /nfs/dbraw/zinc/95/85/55/859958555.db2.gz WCOBSNXPLZVKHJ-SFHVURJKSA-N 2 2 387.568 3.537 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CC[NH+](CC4CCCC4)CC3)CC2)cc1 ZINC000765458956 859978195 /nfs/dbraw/zinc/97/81/95/859978195.db2.gz SEAMJIUUNFEYCX-UHFFFAOYSA-N 3 2 384.612 3.966 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2nc(Br)c[nH]2)C1 ZINC000921531822 860205388 /nfs/dbraw/zinc/20/53/88/860205388.db2.gz DEJKVWFQSBWGCT-AWEZNQCLSA-N 2 2 377.330 3.694 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2nc(Br)c[nH]2)C1 ZINC000921531822 860205392 /nfs/dbraw/zinc/20/53/92/860205392.db2.gz DEJKVWFQSBWGCT-AWEZNQCLSA-N 2 2 377.330 3.694 20 0 GHADLP CN(C(=O)c1cccc2c1CCCC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001127905666 860231329 /nfs/dbraw/zinc/23/13/29/860231329.db2.gz HLLNKYQVDQYMNF-RPWUZVMVSA-N 2 2 397.607 3.975 20 0 GHADLP CN(C(=O)c1cccc2c1CCCC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001127905666 860231338 /nfs/dbraw/zinc/23/13/38/860231338.db2.gz HLLNKYQVDQYMNF-RPWUZVMVSA-N 2 2 397.607 3.975 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccsc1 ZINC000474505551 860255658 /nfs/dbraw/zinc/25/56/58/860255658.db2.gz IZQXGDTWZBFECA-WOJBJXKFSA-N 2 2 389.540 3.661 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccsc1 ZINC000474505551 860255666 /nfs/dbraw/zinc/25/56/66/860255666.db2.gz IZQXGDTWZBFECA-WOJBJXKFSA-N 2 2 389.540 3.661 20 0 GHADLP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001168731933 860452714 /nfs/dbraw/zinc/45/27/14/860452714.db2.gz UZOFLISCKLBAIB-NRFANRHFSA-N 2 2 392.890 3.687 20 0 GHADLP c1ccc(N[C@@H]2CCC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000508991168 860455486 /nfs/dbraw/zinc/45/54/86/860455486.db2.gz OVMCYCHTIKWYHC-HSZRJFAPSA-N 2 2 378.564 3.775 20 0 GHADLP c1ccc(N[C@@H]2CCC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000508991168 860455491 /nfs/dbraw/zinc/45/54/91/860455491.db2.gz OVMCYCHTIKWYHC-HSZRJFAPSA-N 2 2 378.564 3.775 20 0 GHADLP CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428954213 860505929 /nfs/dbraw/zinc/50/59/29/860505929.db2.gz LUOZJZNRMRLHRK-SJORKVTESA-N 2 2 396.626 3.577 20 0 GHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000474626177 860532908 /nfs/dbraw/zinc/53/29/08/860532908.db2.gz CWPATKBVMXBRQK-RTBURBONSA-N 2 2 398.547 3.818 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000532230593 881556534 /nfs/dbraw/zinc/55/65/34/881556534.db2.gz AXHFIXMZMFMBMI-HOCLYGCPSA-N 2 2 399.457 3.909 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000532230593 881556548 /nfs/dbraw/zinc/55/65/48/881556548.db2.gz AXHFIXMZMFMBMI-HOCLYGCPSA-N 2 2 399.457 3.909 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000904639745 860540511 /nfs/dbraw/zinc/54/05/11/860540511.db2.gz LMOKONOXKHYFET-ZWKOTPCHSA-N 2 2 376.863 3.505 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000904639745 860540516 /nfs/dbraw/zinc/54/05/16/860540516.db2.gz LMOKONOXKHYFET-ZWKOTPCHSA-N 2 2 376.863 3.505 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000904640606 860540640 /nfs/dbraw/zinc/54/06/40/860540640.db2.gz PSHVNVBXHAOMEP-MJGOQNOKSA-N 2 2 392.425 3.520 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000904640606 860540648 /nfs/dbraw/zinc/54/06/48/860540648.db2.gz PSHVNVBXHAOMEP-MJGOQNOKSA-N 2 2 392.425 3.520 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000390546054 860562584 /nfs/dbraw/zinc/56/25/84/860562584.db2.gz IOMDUCQDSNBCFQ-SFHVURJKSA-N 2 2 380.458 3.836 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000390546054 860562591 /nfs/dbraw/zinc/56/25/91/860562591.db2.gz IOMDUCQDSNBCFQ-SFHVURJKSA-N 2 2 380.458 3.836 20 0 GHADLP C[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498557540 860573668 /nfs/dbraw/zinc/57/36/68/860573668.db2.gz BAOFZFJHZKVWCP-UPVQGACJSA-N 2 2 392.591 3.937 20 0 GHADLP C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498557540 860573676 /nfs/dbraw/zinc/57/36/76/860573676.db2.gz BAOFZFJHZKVWCP-UPVQGACJSA-N 2 2 392.591 3.937 20 0 GHADLP CC1CC[NH+](CC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000474714190 860670392 /nfs/dbraw/zinc/67/03/92/860670392.db2.gz XDNZZLDSQUAWJF-UHFFFAOYSA-N 2 2 398.378 3.806 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)Cc1ccccc1 ZINC000474775378 860777439 /nfs/dbraw/zinc/77/74/39/860777439.db2.gz MVJDETWDBCZEMU-VQTJNVASSA-N 2 2 396.579 3.707 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)Cc1ccccc1 ZINC000474775378 860777444 /nfs/dbraw/zinc/77/74/44/860777444.db2.gz MVJDETWDBCZEMU-VQTJNVASSA-N 2 2 396.579 3.707 20 0 GHADLP CCOC(=O)c1cccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000600118904 861026910 /nfs/dbraw/zinc/02/69/10/861026910.db2.gz FHYPFMNZOPYWGG-GHTZIAJQSA-N 2 2 381.520 3.743 20 0 GHADLP CCOC(=O)c1cccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000600118904 861026915 /nfs/dbraw/zinc/02/69/15/861026915.db2.gz FHYPFMNZOPYWGG-GHTZIAJQSA-N 2 2 381.520 3.743 20 0 GHADLP CCOC(=O)c1cccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000600118904 861026924 /nfs/dbraw/zinc/02/69/24/861026924.db2.gz FHYPFMNZOPYWGG-GHTZIAJQSA-N 2 2 381.520 3.743 20 0 GHADLP CCOC(=O)c1cccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000600118904 861026934 /nfs/dbraw/zinc/02/69/34/861026934.db2.gz FHYPFMNZOPYWGG-GHTZIAJQSA-N 2 2 381.520 3.743 20 0 GHADLP Clc1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)ccc1-c1ccccc1 ZINC000623420857 861039745 /nfs/dbraw/zinc/03/97/45/861039745.db2.gz QNSHTAFWLMKQHU-NRFANRHFSA-N 2 2 399.966 3.503 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCCCNc1cccc[nH+]1 ZINC000605543195 863119802 /nfs/dbraw/zinc/11/98/02/863119802.db2.gz PYUSUDSKSJCXAW-LJQANCHMSA-N 2 2 396.535 3.567 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCCCNc1cccc[nH+]1 ZINC000605543195 863119805 /nfs/dbraw/zinc/11/98/05/863119805.db2.gz PYUSUDSKSJCXAW-LJQANCHMSA-N 2 2 396.535 3.567 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000195248808 881632711 /nfs/dbraw/zinc/63/27/11/881632711.db2.gz QOMRLBAHXUGKTI-UHFFFAOYSA-N 2 2 381.520 3.633 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000482543271 863299492 /nfs/dbraw/zinc/29/94/92/863299492.db2.gz LFTXWKOMAXBYCI-NEPJUHHUSA-N 2 2 392.758 3.885 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000482543271 863299506 /nfs/dbraw/zinc/29/95/06/863299506.db2.gz LFTXWKOMAXBYCI-NEPJUHHUSA-N 2 2 392.758 3.885 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3CCC4(CCCCC4)CC3)CC2)CC1 ZINC000189182900 881669751 /nfs/dbraw/zinc/66/97/51/881669751.db2.gz SKARHYWNJNYMAO-UHFFFAOYSA-N 2 2 390.616 3.737 20 0 GHADLP CCc1ccc(C[NH+]2CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC2)s1 ZINC000606506627 863676252 /nfs/dbraw/zinc/67/62/52/863676252.db2.gz NCWZGFARQLILPD-LJQANCHMSA-N 2 2 394.629 3.504 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000733996135 863910472 /nfs/dbraw/zinc/91/04/72/863910472.db2.gz PCTGUUASDFUEDQ-LJQANCHMSA-N 2 2 397.485 3.831 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000733996135 863910488 /nfs/dbraw/zinc/91/04/88/863910488.db2.gz PCTGUUASDFUEDQ-LJQANCHMSA-N 2 2 397.485 3.831 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000158733596 863936503 /nfs/dbraw/zinc/93/65/03/863936503.db2.gz SXNVZRKHSSQLSO-SGNDLWITSA-N 2 2 391.559 3.503 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000158733596 863936517 /nfs/dbraw/zinc/93/65/17/863936517.db2.gz SXNVZRKHSSQLSO-SGNDLWITSA-N 2 2 391.559 3.503 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000158733596 863936533 /nfs/dbraw/zinc/93/65/33/863936533.db2.gz SXNVZRKHSSQLSO-SGNDLWITSA-N 2 2 391.559 3.503 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000158733596 863936546 /nfs/dbraw/zinc/93/65/46/863936546.db2.gz SXNVZRKHSSQLSO-SGNDLWITSA-N 2 2 391.559 3.503 20 0 GHADLP COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000158979893 864003153 /nfs/dbraw/zinc/00/31/53/864003153.db2.gz ONSLIOYVESSXOK-IEBWSBKVSA-N 2 2 392.503 3.819 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1)C(C)C ZINC000159125715 864038822 /nfs/dbraw/zinc/03/88/22/864038822.db2.gz BCKQKZPCXLSVNJ-UHFFFAOYSA-N 2 2 385.577 3.936 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1)C(C)C ZINC000159125715 864038832 /nfs/dbraw/zinc/03/88/32/864038832.db2.gz BCKQKZPCXLSVNJ-UHFFFAOYSA-N 2 2 385.577 3.936 20 0 GHADLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(Cl)c1Cl ZINC000159134878 864041697 /nfs/dbraw/zinc/04/16/97/864041697.db2.gz DJYNOYCWHVTECD-CQSZACIVSA-N 2 2 379.335 3.991 20 0 GHADLP CN(C)c1nc(N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)cc[nH+]1 ZINC000607142412 864105370 /nfs/dbraw/zinc/10/53/70/864105370.db2.gz JSRULOTVMFCHOG-UHFFFAOYSA-N 2 2 397.523 3.732 20 0 GHADLP O[C@@H](c1ccccc1)C1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000792862507 881732917 /nfs/dbraw/zinc/73/29/17/881732917.db2.gz LLNJBKYJBHYDSI-DQEYMECFSA-N 2 2 394.559 3.723 20 0 GHADLP O[C@@H](c1ccccc1)C1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000792862507 881732926 /nfs/dbraw/zinc/73/29/26/881732926.db2.gz LLNJBKYJBHYDSI-DQEYMECFSA-N 2 2 394.559 3.723 20 0 GHADLP Cc1cc(N2CC[NH+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)CC2)cc[nH+]1 ZINC001168057020 864364877 /nfs/dbraw/zinc/36/48/77/864364877.db2.gz LMRVXFOPAHKFFF-SFTDATJTSA-N 3 2 378.564 3.954 20 0 GHADLP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c2ccccc21 ZINC000621755911 864404513 /nfs/dbraw/zinc/40/45/13/864404513.db2.gz DKFILEDNOWWNII-VGSWGCGISA-N 2 2 378.520 3.695 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000159312797 864476047 /nfs/dbraw/zinc/47/60/47/864476047.db2.gz CYVUHRXAKYFREY-YXYSEUPNSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000159312797 864476049 /nfs/dbraw/zinc/47/60/49/864476049.db2.gz CYVUHRXAKYFREY-YXYSEUPNSA-N 2 2 378.605 3.544 20 0 GHADLP COc1cc(F)c([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1OC ZINC000480534240 864808997 /nfs/dbraw/zinc/80/89/97/864808997.db2.gz CQDQMDGBSUVMDL-MRXNPFEDSA-N 2 2 383.467 3.981 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000480558791 864860836 /nfs/dbraw/zinc/86/08/36/864860836.db2.gz SSWGUHXRFKZYLM-QPPBQGQZSA-N 3 2 388.559 3.974 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000480558791 864860857 /nfs/dbraw/zinc/86/08/57/864860857.db2.gz SSWGUHXRFKZYLM-QPPBQGQZSA-N 3 2 388.559 3.974 20 0 GHADLP COc1cc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)ccc1OCC(F)(F)F ZINC000608067688 864959408 /nfs/dbraw/zinc/95/94/08/864959408.db2.gz MRSDLNYIHIIEHD-HNNXBMFYSA-N 2 2 383.414 3.808 20 0 GHADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc(C)c1F ZINC000480604293 864962164 /nfs/dbraw/zinc/96/21/64/864962164.db2.gz FPLOPEDBCDPJGJ-SFHVURJKSA-N 2 2 383.511 3.681 20 0 GHADLP Clc1cc(Br)ccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000608057083 864981696 /nfs/dbraw/zinc/98/16/96/864981696.db2.gz FMMZARRPQKUCBU-MRXNPFEDSA-N 2 2 387.749 3.836 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000622546233 865052842 /nfs/dbraw/zinc/05/28/42/865052842.db2.gz MZXCKXLEWFOABU-UHFFFAOYSA-N 2 2 399.966 3.970 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000622546233 865052848 /nfs/dbraw/zinc/05/28/48/865052848.db2.gz MZXCKXLEWFOABU-UHFFFAOYSA-N 2 2 399.966 3.970 20 0 GHADLP COc1ccc(C[NH+]2CCC(CNc3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000301232147 865237362 /nfs/dbraw/zinc/23/73/62/865237362.db2.gz IGDLHLGYBKRLTR-UHFFFAOYSA-N 2 2 395.551 3.800 20 0 GHADLP COc1ccc(C[NH+]2CCC(CNc3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000301232147 865237379 /nfs/dbraw/zinc/23/73/79/865237379.db2.gz IGDLHLGYBKRLTR-UHFFFAOYSA-N 2 2 395.551 3.800 20 0 GHADLP CC[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H](C)c1cccc(O)c1 ZINC000494534699 881865658 /nfs/dbraw/zinc/86/56/58/881865658.db2.gz XZAOMEFNJQPZGH-VQTJNVASSA-N 2 2 395.547 3.681 20 0 GHADLP CC[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H](C)c1cccc(O)c1 ZINC000494534699 881865677 /nfs/dbraw/zinc/86/56/77/881865677.db2.gz XZAOMEFNJQPZGH-VQTJNVASSA-N 2 2 395.547 3.681 20 0 GHADLP CCCCCC[N@H+](C)CC(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000737870470 865449296 /nfs/dbraw/zinc/44/92/96/865449296.db2.gz NBDNJMNKGXDERP-OALUTQOASA-N 2 2 375.557 3.746 20 0 GHADLP CCCCCC[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000737870470 865449304 /nfs/dbraw/zinc/44/93/04/865449304.db2.gz NBDNJMNKGXDERP-OALUTQOASA-N 2 2 375.557 3.746 20 0 GHADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H](C(C)C)[NH+]3C[C@H](C)O[C@@H](C)C3)c2C1 ZINC000494535954 881873170 /nfs/dbraw/zinc/87/31/70/881873170.db2.gz FCFLTCMYWMIXLP-SPEDKVCISA-N 2 2 387.568 3.731 20 0 GHADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H](C(C)C)[NH+]3C[C@H](C)O[C@@H](C)C3)c2C1 ZINC000494535954 881873183 /nfs/dbraw/zinc/87/31/83/881873183.db2.gz FCFLTCMYWMIXLP-SPEDKVCISA-N 2 2 387.568 3.731 20 0 GHADLP Brc1cccc2c1cnn2C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000738071188 865479498 /nfs/dbraw/zinc/47/94/98/865479498.db2.gz JDEBBYFKLBEGFF-UHFFFAOYSA-N 2 2 377.330 3.564 20 0 GHADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000172081617 865483108 /nfs/dbraw/zinc/48/31/08/865483108.db2.gz PJOUZAHMBZHAEA-HSZRJFAPSA-N 2 2 379.548 3.838 20 0 GHADLP COc1ccc(OC)c([C@H](O)C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000738333367 865520809 /nfs/dbraw/zinc/52/08/09/865520809.db2.gz UWSJGJGQNJCEAJ-QMHWCDLVSA-N 2 2 398.547 3.722 20 0 GHADLP COc1ccc(OC)c([C@H](O)C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000738333367 865520815 /nfs/dbraw/zinc/52/08/15/865520815.db2.gz UWSJGJGQNJCEAJ-QMHWCDLVSA-N 2 2 398.547 3.722 20 0 GHADLP COc1ccc(OC)c([C@H](O)C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000738333367 865520820 /nfs/dbraw/zinc/52/08/20/865520820.db2.gz UWSJGJGQNJCEAJ-QMHWCDLVSA-N 2 2 398.547 3.722 20 0 GHADLP COc1ccc(OC)c([C@H](O)C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000738333367 865520824 /nfs/dbraw/zinc/52/08/24/865520824.db2.gz UWSJGJGQNJCEAJ-QMHWCDLVSA-N 2 2 398.547 3.722 20 0 GHADLP C[C@@H]1CCC[C@](CNC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)([NH+](C)C)C1 ZINC000608648314 865533336 /nfs/dbraw/zinc/53/33/36/865533336.db2.gz RRCFGEOJDZAZIY-XQFWAAQXSA-N 2 2 397.567 3.514 20 0 GHADLP C[NH+](C)CC1CC[NH+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC000481031835 865686238 /nfs/dbraw/zinc/68/62/38/865686238.db2.gz IAVMLEWLWPSHCE-UHFFFAOYSA-N 2 2 382.533 3.838 20 0 GHADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000481070740 865779973 /nfs/dbraw/zinc/77/99/73/865779973.db2.gz HIRVVNHBMUPCST-SFHVURJKSA-N 2 2 394.519 3.651 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000481165405 865902976 /nfs/dbraw/zinc/90/29/76/865902976.db2.gz BLWFOQSGHOJVSU-XWTZPOGNSA-N 2 2 385.596 3.816 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000481165405 865902984 /nfs/dbraw/zinc/90/29/84/865902984.db2.gz BLWFOQSGHOJVSU-XWTZPOGNSA-N 2 2 385.596 3.816 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000481166676 865908338 /nfs/dbraw/zinc/90/83/38/865908338.db2.gz BOUGZEJKFGXOHS-ICSRJNTNSA-N 2 2 395.572 3.626 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000481166676 865908347 /nfs/dbraw/zinc/90/83/47/865908347.db2.gz BOUGZEJKFGXOHS-ICSRJNTNSA-N 2 2 395.572 3.626 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000481179517 865935851 /nfs/dbraw/zinc/93/58/51/865935851.db2.gz VNIZCKKTIAEBHM-SXSPYAJSSA-N 2 2 395.522 3.821 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000481179517 865935858 /nfs/dbraw/zinc/93/58/58/865935858.db2.gz VNIZCKKTIAEBHM-SXSPYAJSSA-N 2 2 395.522 3.821 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNc2cc(N3CCSCC3)[nH+]cn2)[C@H]1c1cccs1 ZINC000302872763 865966662 /nfs/dbraw/zinc/96/66/62/865966662.db2.gz CEVPXWSMTVWSKO-KXBFYZLASA-N 2 2 389.594 3.586 20 0 GHADLP C[N@H+]1CCC[C@@H](CNc2cc(N3CCSCC3)[nH+]cn2)[C@H]1c1cccs1 ZINC000302872763 865966666 /nfs/dbraw/zinc/96/66/66/865966666.db2.gz CEVPXWSMTVWSKO-KXBFYZLASA-N 2 2 389.594 3.586 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNc2cc(N3CCSCC3)nc[nH+]2)[C@H]1c1cccs1 ZINC000302872763 865966676 /nfs/dbraw/zinc/96/66/76/865966676.db2.gz CEVPXWSMTVWSKO-KXBFYZLASA-N 2 2 389.594 3.586 20 0 GHADLP C[N@H+]1CCC[C@@H](CNc2cc(N3CCSCC3)nc[nH+]2)[C@H]1c1cccs1 ZINC000302872763 865966680 /nfs/dbraw/zinc/96/66/80/865966680.db2.gz CEVPXWSMTVWSKO-KXBFYZLASA-N 2 2 389.594 3.586 20 0 GHADLP CSc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481197016 865989492 /nfs/dbraw/zinc/98/94/92/865989492.db2.gz ZPDIKBPWBAVNIF-UTKZUKDTSA-N 2 2 383.561 3.847 20 0 GHADLP CSc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481197016 865989503 /nfs/dbraw/zinc/98/95/03/865989503.db2.gz ZPDIKBPWBAVNIF-UTKZUKDTSA-N 2 2 383.561 3.847 20 0 GHADLP C[C@@H](C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)Cn1cc[nH+]c1 ZINC000494573808 881937370 /nfs/dbraw/zinc/93/73/70/881937370.db2.gz HWPLLWJFDOHMCO-HNNXBMFYSA-N 2 2 377.414 3.573 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)CO[C@@H]1CCCc2ccccc21 ZINC000552838483 866329826 /nfs/dbraw/zinc/32/98/26/866329826.db2.gz VDFCMJITTQSCQJ-WMZHIEFXSA-N 2 2 395.478 3.556 20 0 GHADLP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1cscn1 ZINC000534328393 866572161 /nfs/dbraw/zinc/57/21/61/866572161.db2.gz BKULWVUCMRZDQU-CYBMUJFWSA-N 2 2 384.471 3.765 20 0 GHADLP COc1cc2c(cc1C[N@H+](C)C1CC[NH+](CCc3ccccn3)CC1)O[C@H](C)C2 ZINC000534348556 866597944 /nfs/dbraw/zinc/59/79/44/866597944.db2.gz VCHNUXUUEQGOHN-GOSISDBHSA-N 2 2 395.547 3.553 20 0 GHADLP COc1cc2c(cc1C[N@@H+](C)C1CC[NH+](CCc3ccccn3)CC1)O[C@H](C)C2 ZINC000534348556 866597956 /nfs/dbraw/zinc/59/79/56/866597956.db2.gz VCHNUXUUEQGOHN-GOSISDBHSA-N 2 2 395.547 3.553 20 0 GHADLP CN(C(=O)c1nccc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360627 866647738 /nfs/dbraw/zinc/64/77/38/866647738.db2.gz ODZPGMCLEJPREK-FGZHOGPDSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1nccc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360627 866647747 /nfs/dbraw/zinc/64/77/47/866647747.db2.gz ODZPGMCLEJPREK-FGZHOGPDSA-N 2 2 394.563 3.644 20 0 GHADLP CCC1(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000534384761 866698971 /nfs/dbraw/zinc/69/89/71/866698971.db2.gz OOGXHEVRTQOZMK-SFTDATJTSA-N 2 2 392.632 3.935 20 0 GHADLP CCC1(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000534384761 866698978 /nfs/dbraw/zinc/69/89/78/866698978.db2.gz OOGXHEVRTQOZMK-SFTDATJTSA-N 2 2 392.632 3.935 20 0 GHADLP CCCC[C@H](CC)CNC(=S)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000741873897 866871852 /nfs/dbraw/zinc/87/18/52/866871852.db2.gz GJQGZBRXEDCKDN-IBGZPJMESA-N 2 2 382.662 3.617 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cc2c(cc1Br)OCCO2 ZINC000444623047 866976994 /nfs/dbraw/zinc/97/69/94/866976994.db2.gz RNKQAULEJBMTNT-CQSZACIVSA-N 2 2 383.330 3.747 20 0 GHADLP COC[C@H](Cc1ccccc1)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000153939782 867163186 /nfs/dbraw/zinc/16/31/86/867163186.db2.gz IIEMNVOHAUUXBJ-REWPJTCUSA-N 2 2 382.548 3.734 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cnn(Cc4ccccc4)c3)CC2)cc1 ZINC000742378252 867270901 /nfs/dbraw/zinc/27/09/01/867270901.db2.gz NKRFBDIFHHTQFE-UHFFFAOYSA-N 2 2 389.547 3.756 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(-c2ccc(Br)cc2)s1 ZINC000154340005 867361221 /nfs/dbraw/zinc/36/12/21/867361221.db2.gz LWLLARCHOOVSEQ-IUODEOHRSA-N 2 2 383.355 3.751 20 0 GHADLP CC(C)[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1F ZINC000523611965 867610053 /nfs/dbraw/zinc/61/00/53/867610053.db2.gz LBTQXRSBUNYNKR-UHFFFAOYSA-N 2 2 397.538 3.948 20 0 GHADLP CC(C)[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1F ZINC000523611965 867610091 /nfs/dbraw/zinc/61/00/91/867610091.db2.gz LBTQXRSBUNYNKR-UHFFFAOYSA-N 2 2 397.538 3.948 20 0 GHADLP Clc1cc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc2c1OCCCO2 ZINC000553615565 867761144 /nfs/dbraw/zinc/76/11/44/867761144.db2.gz KUHDVDGVAODITC-SFHVURJKSA-N 2 2 378.944 3.852 20 0 GHADLP Clc1cc(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc2c1OCCCO2 ZINC000553615565 867761151 /nfs/dbraw/zinc/76/11/51/867761151.db2.gz KUHDVDGVAODITC-SFHVURJKSA-N 2 2 378.944 3.852 20 0 GHADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000479477828 867839064 /nfs/dbraw/zinc/83/90/64/867839064.db2.gz DTANUUPNTRAXSC-WSDZMALLSA-N 2 2 384.490 3.841 20 0 GHADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000479484699 867852903 /nfs/dbraw/zinc/85/29/03/867852903.db2.gz IYMFMBOWOPMWHZ-GOSISDBHSA-N 2 2 378.557 3.504 20 0 GHADLP C[N@H+](C[C@H](O)COc1ccccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121616307 882183303 /nfs/dbraw/zinc/18/33/03/882183303.db2.gz ASLZHHRMVWZTPY-FQEVSTJZSA-N 2 2 388.939 3.676 20 0 GHADLP C[N@@H+](C[C@H](O)COc1ccccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121616307 882183311 /nfs/dbraw/zinc/18/33/11/882183311.db2.gz ASLZHHRMVWZTPY-FQEVSTJZSA-N 2 2 388.939 3.676 20 0 GHADLP COc1cc2c(NC[C@@H](c3cccs3)[NH+]3CCOCC3)cc[nH+]c2cc1F ZINC000479854394 868605540 /nfs/dbraw/zinc/60/55/40/868605540.db2.gz VSXXHOLMNSLVEZ-SFHVURJKSA-N 2 2 387.480 3.929 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](C3CCC3)C3CCCC3)CC2)CC1 ZINC000645782276 868608972 /nfs/dbraw/zinc/60/89/72/868608972.db2.gz IFGSJSKAJDYXOZ-QFIPXVFZSA-N 2 2 390.616 3.547 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](C3CCC3)C3CCCC3)CC2)CC1 ZINC000645782276 868608980 /nfs/dbraw/zinc/60/89/80/868608980.db2.gz IFGSJSKAJDYXOZ-QFIPXVFZSA-N 2 2 390.616 3.547 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000479886393 868683485 /nfs/dbraw/zinc/68/34/85/868683485.db2.gz GXFOXAIKSLIBDB-PXDATVDWSA-N 2 2 393.575 3.519 20 0 GHADLP C[C@@H](c1nnc(SCC[NH+]2CCC(C)CC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000158217654 868898308 /nfs/dbraw/zinc/89/83/08/868898308.db2.gz AHPUSPHTABFKBR-INIZCTEOSA-N 2 2 391.560 3.853 20 0 GHADLP CC(C)CO[C@@H](C)c1noc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000121737319 882243634 /nfs/dbraw/zinc/24/36/34/882243634.db2.gz KOHYOBUYGKFUJZ-SFHVURJKSA-N 2 2 378.561 3.891 20 0 GHADLP CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428424990 869202894 /nfs/dbraw/zinc/20/28/94/869202894.db2.gz VHICBIHEAMOJQI-WMZOPIPTSA-N 2 2 378.586 3.872 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccnc(OC(F)F)c3)CC2)cc1 ZINC000793568839 882277431 /nfs/dbraw/zinc/27/74/31/882277431.db2.gz ORGDDTPBEUWMIX-UHFFFAOYSA-N 2 2 376.451 3.508 20 0 GHADLP Cn1cc(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c(-c2cccnc2)n1 ZINC000121818207 882294744 /nfs/dbraw/zinc/29/47/44/882294744.db2.gz RVYLKPRQZWCDTQ-HSZRJFAPSA-N 2 2 375.520 3.626 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C2)CC1 ZINC000524750613 869493431 /nfs/dbraw/zinc/49/34/31/869493431.db2.gz YNSKDRPBWMXUAK-HXUWFJFHSA-N 2 2 388.943 3.595 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C2)CC1 ZINC000524750613 869493432 /nfs/dbraw/zinc/49/34/32/869493432.db2.gz YNSKDRPBWMXUAK-HXUWFJFHSA-N 2 2 388.943 3.595 20 0 GHADLP Brc1cc2c(c(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c1)OCC2 ZINC000462795459 870098636 /nfs/dbraw/zinc/09/86/36/870098636.db2.gz SQLHHVCNWQCYCU-DNVCBOLYSA-N 2 2 391.353 3.833 20 0 GHADLP Brc1cc2c(c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c1)OCC2 ZINC000462795459 870098644 /nfs/dbraw/zinc/09/86/44/870098644.db2.gz SQLHHVCNWQCYCU-DNVCBOLYSA-N 2 2 391.353 3.833 20 0 GHADLP Brc1cc2c(c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c1)OCC2 ZINC000462795459 870098652 /nfs/dbraw/zinc/09/86/52/870098652.db2.gz SQLHHVCNWQCYCU-DNVCBOLYSA-N 2 2 391.353 3.833 20 0 GHADLP Brc1cc2c(c(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c1)OCC2 ZINC000462795459 870098660 /nfs/dbraw/zinc/09/86/60/870098660.db2.gz SQLHHVCNWQCYCU-DNVCBOLYSA-N 2 2 391.353 3.833 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092565796 882384385 /nfs/dbraw/zinc/38/43/85/882384385.db2.gz WJBKLWJLFOXOJP-OXKPJDFFSA-N 2 2 387.568 3.782 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092565796 882384397 /nfs/dbraw/zinc/38/43/97/882384397.db2.gz WJBKLWJLFOXOJP-OXKPJDFFSA-N 2 2 387.568 3.782 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000248131996 870296273 /nfs/dbraw/zinc/29/62/73/870296273.db2.gz OOISHPFVKGZSMT-FGCOXFRFSA-N 2 2 378.564 3.546 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000248131996 870296284 /nfs/dbraw/zinc/29/62/84/870296284.db2.gz OOISHPFVKGZSMT-FGCOXFRFSA-N 2 2 378.564 3.546 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000248131996 870296297 /nfs/dbraw/zinc/29/62/97/870296297.db2.gz OOISHPFVKGZSMT-FGCOXFRFSA-N 2 2 378.564 3.546 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000248131996 870296309 /nfs/dbraw/zinc/29/63/09/870296309.db2.gz OOISHPFVKGZSMT-FGCOXFRFSA-N 2 2 378.564 3.546 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000462908397 870363435 /nfs/dbraw/zinc/36/34/35/870363435.db2.gz XZZZSDTVSTXJGJ-UHFFFAOYSA-N 2 2 398.469 3.744 20 0 GHADLP c1c[nH]c([C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc2)n1 ZINC000446824614 870476568 /nfs/dbraw/zinc/47/65/68/870476568.db2.gz VKCCOKJNVUPMKW-QFIPXVFZSA-N 2 2 376.504 3.764 20 0 GHADLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000248717747 870604456 /nfs/dbraw/zinc/60/44/56/870604456.db2.gz NYASHYHWZREBJP-JLSDUUJJSA-N 2 2 392.425 3.590 20 0 GHADLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000248717747 870604461 /nfs/dbraw/zinc/60/44/61/870604461.db2.gz NYASHYHWZREBJP-JLSDUUJJSA-N 2 2 392.425 3.590 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc3ccc(OC)cc3s2)[C@@H](C)C1 ZINC000249378437 870818401 /nfs/dbraw/zinc/81/84/01/870818401.db2.gz QBLLVPCVBCUUPG-RDJZCZTQSA-N 2 2 377.554 3.532 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc3ccc(OC)cc3s2)[C@@H](C)C1 ZINC000249378437 870818408 /nfs/dbraw/zinc/81/84/08/870818408.db2.gz QBLLVPCVBCUUPG-RDJZCZTQSA-N 2 2 377.554 3.532 20 0 GHADLP COc1ccc(CN2CC[C@@H]([N@H+](C3CCCC3)C3CC[NH+](C)CC3)CC2=O)cc1 ZINC001168959212 871058661 /nfs/dbraw/zinc/05/86/61/871058661.db2.gz USSONLPESBMRJD-JOCHJYFZSA-N 2 2 399.579 3.525 20 0 GHADLP COc1ccc(CN2CC[C@@H]([N@@H+](C3CCCC3)C3CC[NH+](C)CC3)CC2=O)cc1 ZINC001168959212 871058684 /nfs/dbraw/zinc/05/86/84/871058684.db2.gz USSONLPESBMRJD-JOCHJYFZSA-N 2 2 399.579 3.525 20 0 GHADLP CC(C)[NH+]1CCN(Cc2ccc(NCCc3cn4ccccc4[nH+]3)c(F)c2)CC1 ZINC001169010789 871094583 /nfs/dbraw/zinc/09/45/83/871094583.db2.gz HMDGNGCAEIJUHS-UHFFFAOYSA-N 2 2 395.526 3.654 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C(=O)N1c1ccccc1 ZINC000463194948 871105280 /nfs/dbraw/zinc/10/52/80/871105280.db2.gz XIYWPGYXFHEUEF-FDDCHVKYSA-N 2 2 395.522 3.616 20 0 GHADLP OC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000539055533 871188393 /nfs/dbraw/zinc/18/83/93/871188393.db2.gz CYICLUBXVAPLEK-FQEVSTJZSA-N 2 2 378.438 3.993 20 0 GHADLP C[C@H]([NH2+]Cc1cc2c(cc1Br)OCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001169126059 871214529 /nfs/dbraw/zinc/21/45/29/871214529.db2.gz XIEVJJDUUDYMPW-KBPBESRZSA-N 2 2 395.341 3.920 20 0 GHADLP C[C@H]([NH2+]Cc1cc2c(cc1Br)OCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001169126059 871214539 /nfs/dbraw/zinc/21/45/39/871214539.db2.gz XIEVJJDUUDYMPW-KBPBESRZSA-N 2 2 395.341 3.920 20 0 GHADLP Fc1ccc([C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C2CC2)cc1 ZINC000539200769 871489425 /nfs/dbraw/zinc/48/94/25/871489425.db2.gz YIJPVXMWWRHFIZ-QHCPKHFHSA-N 2 2 384.495 3.778 20 0 GHADLP O[C@@H](C(F)F)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000462113643 871637544 /nfs/dbraw/zinc/63/75/44/871637544.db2.gz TWUBULKLEGPBJL-FCHUYYIVSA-N 2 2 388.502 3.520 20 0 GHADLP CCOC(=O)N1CCC[C@@H]([NH2+]CC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001169638083 871701542 /nfs/dbraw/zinc/70/15/42/871701542.db2.gz DKWVRVVZTDVOBY-JOCHJYFZSA-N 2 2 387.568 3.542 20 0 GHADLP CCOC(=O)N1CCC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)CC1 ZINC001169661888 871729616 /nfs/dbraw/zinc/72/96/16/871729616.db2.gz BBYHLVFZLXCWHA-LJQANCHMSA-N 2 2 391.531 3.699 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C2 ZINC000525979546 871849780 /nfs/dbraw/zinc/84/97/80/871849780.db2.gz ZHIVDIVLPJTFFW-QAPCUYQASA-N 2 2 386.565 3.653 20 0 GHADLP Cn1ccc([C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c2ccc(F)cc2)n1 ZINC000539376514 871855106 /nfs/dbraw/zinc/85/51/06/871855106.db2.gz HYCSVNRTDUCWKK-HSZRJFAPSA-N 2 2 396.510 3.769 20 0 GHADLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCc1ccc(-c2ccccn2)cc1 ZINC001169888029 871961584 /nfs/dbraw/zinc/96/15/84/871961584.db2.gz HQROMGZHRYULNL-UHFFFAOYSA-N 2 2 388.519 3.634 20 0 GHADLP CC(C)[C@@H]([NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)[C@@H](CO)C(C)C ZINC001170442785 882570508 /nfs/dbraw/zinc/57/05/08/882570508.db2.gz ITHIJHBPTXLYGG-FCHUYYIVSA-N 2 2 396.019 3.731 20 0 GHADLP Fc1cc(Br)c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000552096214 872052091 /nfs/dbraw/zinc/05/20/91/872052091.db2.gz VGZKTTIOUJMCIR-UHFFFAOYSA-N 2 2 382.252 3.881 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(N2CCCC2=O)c1 ZINC000540757537 872070117 /nfs/dbraw/zinc/07/01/17/872070117.db2.gz XKHOYPPLDVFCOK-LAUBAEHRSA-N 2 2 393.535 3.522 20 0 GHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000093742344 872379030 /nfs/dbraw/zinc/37/90/30/872379030.db2.gz XXSKPNGOPOGNNX-QGZVFWFLSA-N 2 2 376.495 3.931 20 0 GHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000093742344 872379046 /nfs/dbraw/zinc/37/90/46/872379046.db2.gz XXSKPNGOPOGNNX-QGZVFWFLSA-N 2 2 376.495 3.931 20 0 GHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000093742344 872379063 /nfs/dbraw/zinc/37/90/63/872379063.db2.gz XXSKPNGOPOGNNX-QGZVFWFLSA-N 2 2 376.495 3.931 20 0 GHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000093742344 872379084 /nfs/dbraw/zinc/37/90/84/872379084.db2.gz XXSKPNGOPOGNNX-QGZVFWFLSA-N 2 2 376.495 3.931 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000463734247 872441655 /nfs/dbraw/zinc/44/16/55/872441655.db2.gz OQCJRKBALSNNOU-UHFFFAOYSA-N 2 2 393.535 3.979 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000527012954 872467756 /nfs/dbraw/zinc/46/77/56/872467756.db2.gz GXWVQHTUWONHLM-MISYRCLQSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000527012954 872467761 /nfs/dbraw/zinc/46/77/61/872467761.db2.gz GXWVQHTUWONHLM-MISYRCLQSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000527012954 872467772 /nfs/dbraw/zinc/46/77/72/872467772.db2.gz GXWVQHTUWONHLM-MISYRCLQSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000527012954 872467779 /nfs/dbraw/zinc/46/77/79/872467779.db2.gz GXWVQHTUWONHLM-MISYRCLQSA-N 2 2 394.563 3.665 20 0 GHADLP CC[N@@H+](Cc1cc2ccccc2[nH]c1=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108544 882616242 /nfs/dbraw/zinc/61/62/42/882616242.db2.gz HUMZVKVJZCBVMQ-UHFFFAOYSA-N 2 2 376.504 3.662 20 0 GHADLP CC[N@H+](Cc1cc2ccccc2[nH]c1=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108544 882616250 /nfs/dbraw/zinc/61/62/50/882616250.db2.gz HUMZVKVJZCBVMQ-UHFFFAOYSA-N 2 2 376.504 3.662 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]C3CCN(c4ccccc4)CC3)C2)cc1 ZINC000191840692 882635812 /nfs/dbraw/zinc/63/58/12/882635812.db2.gz UPQVXRSNYZLLGC-DEOSSOPVSA-N 2 2 379.548 3.536 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]C3CCN(c4ccccc4)CC3)C2)cc1 ZINC000191840692 882635825 /nfs/dbraw/zinc/63/58/25/882635825.db2.gz UPQVXRSNYZLLGC-DEOSSOPVSA-N 2 2 379.548 3.536 20 0 GHADLP CC1CC[NH+](C2CCC(NC(=O)NCCCCNc3cccc[nH+]3)CC2)CC1 ZINC000152716963 872805959 /nfs/dbraw/zinc/80/59/59/872805959.db2.gz FWNFPXZZBITEOP-UHFFFAOYSA-N 2 2 387.572 3.616 20 0 GHADLP Cc1c([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)nnn1-c1cccc(Cl)c1 ZINC000152734843 872816199 /nfs/dbraw/zinc/81/61/99/872816199.db2.gz WWDDEWOUGIXMKX-AWEZNQCLSA-N 2 2 384.915 3.655 20 0 GHADLP CCCC[NH+]1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000151407334 872828853 /nfs/dbraw/zinc/82/88/53/872828853.db2.gz WUCXSTOYXRCGRX-YADHBBJMSA-N 2 2 395.551 3.675 20 0 GHADLP CC[C@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[N@@H+]1CCc2ccccc2C1 ZINC000527230250 872886148 /nfs/dbraw/zinc/88/61/48/872886148.db2.gz JDPXANWBNATCKC-UYAOXDASSA-N 2 2 394.563 3.591 20 0 GHADLP CC[C@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[N@H+]1CCc2ccccc2C1 ZINC000527230250 872886166 /nfs/dbraw/zinc/88/61/66/872886166.db2.gz JDPXANWBNATCKC-UYAOXDASSA-N 2 2 394.563 3.591 20 0 GHADLP CC[C@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[N@@H+]1CCc2ccccc2C1 ZINC000527230250 872886182 /nfs/dbraw/zinc/88/61/82/872886182.db2.gz JDPXANWBNATCKC-UYAOXDASSA-N 2 2 394.563 3.591 20 0 GHADLP CC[C@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[N@H+]1CCc2ccccc2C1 ZINC000527230250 872886190 /nfs/dbraw/zinc/88/61/90/872886190.db2.gz JDPXANWBNATCKC-UYAOXDASSA-N 2 2 394.563 3.591 20 0 GHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000527298955 872975866 /nfs/dbraw/zinc/97/58/66/872975866.db2.gz NHGZUYXBICXYAN-IYBDPMFKSA-N 2 2 384.923 3.569 20 0 GHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000527298955 872975872 /nfs/dbraw/zinc/97/58/72/872975872.db2.gz NHGZUYXBICXYAN-IYBDPMFKSA-N 2 2 384.923 3.569 20 0 GHADLP COc1cccc(OCC[NH+]2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@]3(C)C2)c1 ZINC001196960046 873498712 /nfs/dbraw/zinc/49/87/12/873498712.db2.gz CSQHOOFISTVRHL-ZEQRLZLVSA-N 2 2 380.532 3.918 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1CC(C)(C)N(O)C(C)(C)C1)[C@H]2C ZINC001169996367 873583277 /nfs/dbraw/zinc/58/32/77/873583277.db2.gz WCRUKZOKQLYCCA-INIZCTEOSA-N 2 2 377.577 3.511 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CC(C)(C)N(O)C(C)(C)C1)[C@H]2C ZINC001169996367 873583286 /nfs/dbraw/zinc/58/32/86/873583286.db2.gz WCRUKZOKQLYCCA-INIZCTEOSA-N 2 2 377.577 3.511 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C1CC(C)(C)N(O)C(C)(C)C1)[C@H]2C ZINC001169996367 873583297 /nfs/dbraw/zinc/58/32/97/873583297.db2.gz WCRUKZOKQLYCCA-INIZCTEOSA-N 2 2 377.577 3.511 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1CC(C)(C)N(O)C(C)(C)C1)[C@H]2C ZINC001169996367 873583305 /nfs/dbraw/zinc/58/33/05/873583305.db2.gz WCRUKZOKQLYCCA-INIZCTEOSA-N 2 2 377.577 3.511 20 0 GHADLP CC1CC[NH+](CC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000541463457 873612958 /nfs/dbraw/zinc/61/29/58/873612958.db2.gz ZVTZUQNVIAKLGW-UHFFFAOYSA-N 2 2 398.378 3.806 20 0 GHADLP C[C@H]1C[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)CCN1c1cc[nH+]cc1 ZINC001197368735 873778015 /nfs/dbraw/zinc/77/80/15/873778015.db2.gz LXZDANHUYPMQEE-IBGZPJMESA-N 2 2 386.499 3.898 20 0 GHADLP C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)CCN1c1cc[nH+]cc1 ZINC001197368735 873778023 /nfs/dbraw/zinc/77/80/23/873778023.db2.gz LXZDANHUYPMQEE-IBGZPJMESA-N 2 2 386.499 3.898 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000921244795 882769798 /nfs/dbraw/zinc/76/97/98/882769798.db2.gz PTTRQPBCOSRGDY-UHFFFAOYSA-N 2 2 395.551 3.860 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000769519977 874126594 /nfs/dbraw/zinc/12/65/94/874126594.db2.gz DLGLUZWAIVSOSA-ROUUACIJSA-N 2 2 397.604 3.644 20 0 GHADLP Cc1cc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cnc1Cl ZINC000769527292 874133983 /nfs/dbraw/zinc/13/39/83/874133983.db2.gz PKKLYSHJPBVQRO-UHFFFAOYSA-N 3 2 378.992 3.672 20 0 GHADLP Cc1cc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cnc1Cl ZINC000769527292 874133991 /nfs/dbraw/zinc/13/39/91/874133991.db2.gz PKKLYSHJPBVQRO-UHFFFAOYSA-N 3 2 378.992 3.672 20 0 GHADLP CN(C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1)[C@H]1CCc2ccccc21 ZINC001198022579 874184118 /nfs/dbraw/zinc/18/41/18/874184118.db2.gz WPPZSCLPGHCZKN-QHCPKHFHSA-N 2 2 379.548 3.830 20 0 GHADLP CN(C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1)[C@H]1CCc2ccccc21 ZINC001198022579 874184122 /nfs/dbraw/zinc/18/41/22/874184122.db2.gz WPPZSCLPGHCZKN-QHCPKHFHSA-N 2 2 379.548 3.830 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NCCc2ccc3[nH]ccc3c2)cc1 ZINC001198035844 874192666 /nfs/dbraw/zinc/19/26/66/874192666.db2.gz DNGHZQCYYDAJLA-UHFFFAOYSA-N 2 2 392.547 3.524 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NCCc2ccc3[nH]ccc3c2)cc1 ZINC001198035844 874192672 /nfs/dbraw/zinc/19/26/72/874192672.db2.gz DNGHZQCYYDAJLA-UHFFFAOYSA-N 2 2 392.547 3.524 20 0 GHADLP C[C@H](NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1)c1cccc(N(C)C)c1 ZINC001198042338 874194886 /nfs/dbraw/zinc/19/48/86/874194886.db2.gz WOXBHIKZKVTOQM-IBGZPJMESA-N 2 2 396.579 3.627 20 0 GHADLP C[C@H](NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1)c1cccc(N(C)C)c1 ZINC001198042338 874194889 /nfs/dbraw/zinc/19/48/89/874194889.db2.gz WOXBHIKZKVTOQM-IBGZPJMESA-N 2 2 396.579 3.627 20 0 GHADLP C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177504965 882808202 /nfs/dbraw/zinc/80/82/02/882808202.db2.gz SFJWAGSNDJQZMB-ZACQAIPSSA-N 2 2 378.561 3.639 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000541794109 874285561 /nfs/dbraw/zinc/28/55/61/874285561.db2.gz DTXZDZJNWBCWHC-UHFFFAOYSA-N 2 2 388.890 3.767 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000541794109 874285573 /nfs/dbraw/zinc/28/55/73/874285573.db2.gz DTXZDZJNWBCWHC-UHFFFAOYSA-N 2 2 388.890 3.767 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000528319530 874374990 /nfs/dbraw/zinc/37/49/90/874374990.db2.gz QDROQMDZKMKLPV-FYYLOGMGSA-N 2 2 394.563 3.841 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000528319530 874375003 /nfs/dbraw/zinc/37/50/03/874375003.db2.gz QDROQMDZKMKLPV-FYYLOGMGSA-N 2 2 394.563 3.841 20 0 GHADLP CSC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000541913266 874513898 /nfs/dbraw/zinc/51/38/98/874513898.db2.gz DNSCQSIQVXYFTE-MSOLQXFVSA-N 2 2 390.515 3.792 20 0 GHADLP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000134314070 882847173 /nfs/dbraw/zinc/84/71/73/882847173.db2.gz SJSPLAUQIIWTRS-INIZCTEOSA-N 2 2 378.289 3.941 20 0 GHADLP CC(C)Cc1ccc([C@H](C)NC(=O)c2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC001199360583 874943677 /nfs/dbraw/zinc/94/36/77/874943677.db2.gz PDQTZOGJKHPLIO-SFHVURJKSA-N 2 2 380.536 3.523 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)s1 ZINC000449548412 875028969 /nfs/dbraw/zinc/02/89/69/875028969.db2.gz NEKCDZNEIPINJK-AWEZNQCLSA-N 2 2 384.318 3.883 20 0 GHADLP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1C ZINC000542132353 875030608 /nfs/dbraw/zinc/03/06/08/875030608.db2.gz XTOWKAOVZSQOOZ-JOCHJYFZSA-N 2 2 385.552 3.740 20 0 GHADLP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000460488568 882891918 /nfs/dbraw/zinc/89/19/18/882891918.db2.gz MVCIPHKHWDNCRU-QGZVFWFLSA-N 2 2 377.960 3.510 20 0 GHADLP CN(C(=O)CC1(c2ccccc2)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000528896884 875237449 /nfs/dbraw/zinc/23/74/49/875237449.db2.gz SGDXJZWVIKVLRO-DHIUTWEWSA-N 2 2 397.607 3.904 20 0 GHADLP CN(C(=O)CC1(c2ccccc2)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000528896884 875237458 /nfs/dbraw/zinc/23/74/58/875237458.db2.gz SGDXJZWVIKVLRO-DHIUTWEWSA-N 2 2 397.607 3.904 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000449776718 875378804 /nfs/dbraw/zinc/37/88/04/875378804.db2.gz TYRYYWDNKSWKON-XLIONFOSSA-N 2 2 378.944 3.983 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccccc1 ZINC000542336757 875398537 /nfs/dbraw/zinc/39/85/37/875398537.db2.gz WASPKUUMMHJYAV-IFMALSPDSA-N 2 2 394.563 3.912 20 0 GHADLP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H](c3ccccc3)c3ccccn3)CC2)cc1 ZINC000491342936 875536122 /nfs/dbraw/zinc/53/61/22/875536122.db2.gz LNDYPJAVHRKXIR-VWLOTQADSA-N 2 2 386.543 3.578 20 0 GHADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(OCC[NH+]4CCOCC4)cc3)C2)cc1 ZINC001202056435 875982251 /nfs/dbraw/zinc/98/22/51/875982251.db2.gz ABVYHEVHYCCGCH-BJKOFHAPSA-N 2 2 394.559 3.899 20 0 GHADLP OC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Br)c(F)c1 ZINC000492023520 876100541 /nfs/dbraw/zinc/10/05/41/876100541.db2.gz MNMNVUSZVMMPRV-INIZCTEOSA-N 2 2 396.285 3.659 20 0 GHADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000913891427 876676334 /nfs/dbraw/zinc/67/63/34/876676334.db2.gz QCYLHQVKSDMDEN-SFHVURJKSA-N 2 2 399.564 3.566 20 0 GHADLP Clc1cc(Cl)c2nc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cn2c1 ZINC000173947181 876738522 /nfs/dbraw/zinc/73/85/22/876738522.db2.gz YJHUIGUDAKFUKR-UHFFFAOYSA-N 2 2 397.350 3.718 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000850554773 877022181 /nfs/dbraw/zinc/02/21/81/877022181.db2.gz DPPZFJVVPMJQBF-XMCHAPAWSA-N 2 2 394.346 3.922 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000850554773 877022190 /nfs/dbraw/zinc/02/21/90/877022190.db2.gz DPPZFJVVPMJQBF-XMCHAPAWSA-N 2 2 394.346 3.922 20 0 GHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000285397744 912275492 /nfs/dbraw/zinc/27/54/92/912275492.db2.gz IBHNMFMYLBRYFA-VXGBXAGGSA-N 2 2 388.821 3.951 20 0 GHADLP C[C@@]1(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000121816965 877884578 /nfs/dbraw/zinc/88/45/78/877884578.db2.gz CSEMWTKFGIADKF-QHCPKHFHSA-N 2 2 381.520 3.529 20 0 GHADLP C[C@@]1(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000121816965 877884585 /nfs/dbraw/zinc/88/45/85/877884585.db2.gz CSEMWTKFGIADKF-QHCPKHFHSA-N 2 2 381.520 3.529 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000788245177 877947228 /nfs/dbraw/zinc/94/72/28/877947228.db2.gz PVQVVUXYELYSFQ-ROUUACIJSA-N 2 2 376.545 3.578 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000788245163 877947361 /nfs/dbraw/zinc/94/73/61/877947361.db2.gz PVQVVUXYELYSFQ-MSOLQXFVSA-N 2 2 376.545 3.578 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)nc1 ZINC000852017789 878035156 /nfs/dbraw/zinc/03/51/56/878035156.db2.gz FVVIUSZXTBMRGE-GOSISDBHSA-N 2 2 386.927 3.564 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)nc1 ZINC000852017789 878035172 /nfs/dbraw/zinc/03/51/72/878035172.db2.gz FVVIUSZXTBMRGE-GOSISDBHSA-N 2 2 386.927 3.564 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC[C@@H]21 ZINC000245528454 878051336 /nfs/dbraw/zinc/05/13/36/878051336.db2.gz BKXIPYBCMDCXMT-BVGQSLNGSA-N 2 2 382.335 3.515 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC[C@@H]21 ZINC000245528454 878051354 /nfs/dbraw/zinc/05/13/54/878051354.db2.gz BKXIPYBCMDCXMT-BVGQSLNGSA-N 2 2 382.335 3.515 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC[C@@H]21 ZINC000245528454 878051373 /nfs/dbraw/zinc/05/13/73/878051373.db2.gz BKXIPYBCMDCXMT-BVGQSLNGSA-N 2 2 382.335 3.515 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC[C@@H]21 ZINC000245528454 878051390 /nfs/dbraw/zinc/05/13/90/878051390.db2.gz BKXIPYBCMDCXMT-BVGQSLNGSA-N 2 2 382.335 3.515 20 0 GHADLP Fc1cc2[nH+]ccc(NC3CC[NH+]([C@H]4CCOC4)CC3)c2cc1Br ZINC000649304651 878052800 /nfs/dbraw/zinc/05/28/00/878052800.db2.gz OQULZWMFTZFTPW-ZDUSSCGKSA-N 2 2 394.288 3.802 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CCCc3ccccc3Cl)C2)CC1 ZINC000451530994 878062669 /nfs/dbraw/zinc/06/26/69/878062669.db2.gz QVCNPYAPOSQQBD-FQEVSTJZSA-N 2 2 391.987 3.539 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CCCc3ccccc3Cl)C2)CC1 ZINC000451530994 878062687 /nfs/dbraw/zinc/06/26/87/878062687.db2.gz QVCNPYAPOSQQBD-FQEVSTJZSA-N 2 2 391.987 3.539 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CCCc3ccccc3Cl)C2)CC1 ZINC000451530994 878062706 /nfs/dbraw/zinc/06/27/06/878062706.db2.gz QVCNPYAPOSQQBD-FQEVSTJZSA-N 2 2 391.987 3.539 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CCCc3ccccc3Cl)C2)CC1 ZINC000451530994 878062726 /nfs/dbraw/zinc/06/27/26/878062726.db2.gz QVCNPYAPOSQQBD-FQEVSTJZSA-N 2 2 391.987 3.539 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cn1 ZINC000068216648 878109334 /nfs/dbraw/zinc/10/93/34/878109334.db2.gz ILEQLHRCZSALPT-SFHVURJKSA-N 2 2 393.466 3.566 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cn1 ZINC000068216648 878109339 /nfs/dbraw/zinc/10/93/39/878109339.db2.gz ILEQLHRCZSALPT-SFHVURJKSA-N 2 2 393.466 3.566 20 0 GHADLP CN(C(=O)c1ccc(Cl)cc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245619204 878221121 /nfs/dbraw/zinc/22/11/21/878221121.db2.gz AJPWUOCZABEYKS-WOJBJXKFSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1ccc(Cl)cc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245619204 878221137 /nfs/dbraw/zinc/22/11/37/878221137.db2.gz AJPWUOCZABEYKS-WOJBJXKFSA-N 2 2 395.950 3.888 20 0 GHADLP CCCOc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c(C)c1 ZINC001183136141 912323165 /nfs/dbraw/zinc/32/31/65/912323165.db2.gz HGIDRDLDDIAYKJ-DEOSSOPVSA-N 2 2 382.548 3.853 20 0 GHADLP CCCOc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c(C)c1 ZINC001183136141 912323183 /nfs/dbraw/zinc/32/31/83/912323183.db2.gz HGIDRDLDDIAYKJ-DEOSSOPVSA-N 2 2 382.548 3.853 20 0 GHADLP CCCOc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC001183136141 912323202 /nfs/dbraw/zinc/32/32/02/912323202.db2.gz HGIDRDLDDIAYKJ-DEOSSOPVSA-N 2 2 382.548 3.853 20 0 GHADLP CCCOc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC001183136141 912323216 /nfs/dbraw/zinc/32/32/16/912323216.db2.gz HGIDRDLDDIAYKJ-DEOSSOPVSA-N 2 2 382.548 3.853 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000537776697 878312499 /nfs/dbraw/zinc/31/24/99/878312499.db2.gz JTOQZAHBJSVOMU-LJQANCHMSA-N 3 2 393.019 3.549 20 0 GHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000537776697 878312516 /nfs/dbraw/zinc/31/25/16/878312516.db2.gz JTOQZAHBJSVOMU-LJQANCHMSA-N 3 2 393.019 3.549 20 0 GHADLP [NH3+]CCCCCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000237958288 878421425 /nfs/dbraw/zinc/42/14/25/878421425.db2.gz PJTRZCRICNEXNU-UHFFFAOYSA-N 2 2 389.540 3.718 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000245749731 878538627 /nfs/dbraw/zinc/53/86/27/878538627.db2.gz YOGIGQXRMBWQJX-YQVWRLOYSA-N 2 2 384.549 3.684 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000245749731 878538640 /nfs/dbraw/zinc/53/86/40/878538640.db2.gz YOGIGQXRMBWQJX-YQVWRLOYSA-N 2 2 384.549 3.684 20 0 GHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3nc(C(C)(C)C)cs3)CC2)C[C@@H](C)O1 ZINC000538045337 878755381 /nfs/dbraw/zinc/75/53/81/878755381.db2.gz QCOMUVOQYXEHLB-IAGOWNOFSA-N 2 2 395.613 3.531 20 0 GHADLP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000538101287 878810641 /nfs/dbraw/zinc/81/06/41/878810641.db2.gz ULIBMCBSPWOOND-RTBURBONSA-N 2 2 399.501 3.935 20 0 GHADLP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000538101287 878810652 /nfs/dbraw/zinc/81/06/52/878810652.db2.gz ULIBMCBSPWOOND-RTBURBONSA-N 2 2 399.501 3.935 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCOc3ccc(F)cc32)CC1 ZINC000178124006 879010535 /nfs/dbraw/zinc/01/05/35/879010535.db2.gz KKEUNKLVLLMYNU-IBGZPJMESA-N 2 2 389.902 3.844 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000538261484 879105530 /nfs/dbraw/zinc/10/55/30/879105530.db2.gz VOJUTWCUKDBBNP-SJBKTWHCSA-N 3 2 385.596 3.932 20 0 GHADLP CC(C)CC[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246177721 879113975 /nfs/dbraw/zinc/11/39/75/879113975.db2.gz CYSTZNRACDHWTH-TYPHKJRUSA-N 2 2 380.621 3.790 20 0 GHADLP CC(C)CC[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246177721 879113990 /nfs/dbraw/zinc/11/39/90/879113990.db2.gz CYSTZNRACDHWTH-TYPHKJRUSA-N 2 2 380.621 3.790 20 0 GHADLP COc1cccc2cc([C@H](C)[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)oc21 ZINC000538396733 879418606 /nfs/dbraw/zinc/41/86/06/879418606.db2.gz WVGDMFZCMDEXCN-SBUREZEXSA-N 2 2 380.488 3.729 20 0 GHADLP COc1cccc2cc([C@H](C)[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)oc21 ZINC000538396733 879418617 /nfs/dbraw/zinc/41/86/17/879418617.db2.gz WVGDMFZCMDEXCN-SBUREZEXSA-N 2 2 380.488 3.729 20 0 GHADLP COc1cccc2cc([C@@H](C)[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)oc21 ZINC000538396734 879418704 /nfs/dbraw/zinc/41/87/04/879418704.db2.gz WVGDMFZCMDEXCN-UZUQRXQVSA-N 2 2 380.488 3.729 20 0 GHADLP COc1cccc2cc([C@@H](C)[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)oc21 ZINC000538396734 879418711 /nfs/dbraw/zinc/41/87/11/879418711.db2.gz WVGDMFZCMDEXCN-UZUQRXQVSA-N 2 2 380.488 3.729 20 0 GHADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000538428493 879464847 /nfs/dbraw/zinc/46/48/47/879464847.db2.gz WLRDZYSSSWYOCB-PKTZIBPZSA-N 2 2 386.503 3.930 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000246380400 879489075 /nfs/dbraw/zinc/48/90/75/879489075.db2.gz JZOJWFYQWZRQPG-RDTXWAMCSA-N 2 2 395.334 3.662 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000246380400 879489081 /nfs/dbraw/zinc/48/90/81/879489081.db2.gz JZOJWFYQWZRQPG-RDTXWAMCSA-N 2 2 395.334 3.662 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000772747579 879494752 /nfs/dbraw/zinc/49/47/52/879494752.db2.gz PCPLIFKMHCPKQN-GHTZIAJQSA-N 2 2 381.524 3.538 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000772747579 879494761 /nfs/dbraw/zinc/49/47/61/879494761.db2.gz PCPLIFKMHCPKQN-GHTZIAJQSA-N 2 2 381.524 3.538 20 0 GHADLP C[C@@H](CCc1ccc2c(c1)OCO2)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538589078 879802557 /nfs/dbraw/zinc/80/25/57/879802557.db2.gz VENQGRDFTDPISM-KRWDZBQOSA-N 2 2 396.535 3.774 20 0 GHADLP CCN(C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000246853118 879827525 /nfs/dbraw/zinc/82/75/25/879827525.db2.gz PETNEKPQTFHVKP-LQBOVUBWSA-N 2 2 387.543 3.684 20 0 GHADLP CCN(C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000246853118 879827539 /nfs/dbraw/zinc/82/75/39/879827539.db2.gz PETNEKPQTFHVKP-LQBOVUBWSA-N 2 2 387.543 3.684 20 0 GHADLP CCN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000246853118 879827550 /nfs/dbraw/zinc/82/75/50/879827550.db2.gz PETNEKPQTFHVKP-LQBOVUBWSA-N 2 2 387.543 3.684 20 0 GHADLP CCN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000246853118 879827555 /nfs/dbraw/zinc/82/75/55/879827555.db2.gz PETNEKPQTFHVKP-LQBOVUBWSA-N 2 2 387.543 3.684 20 0 GHADLP CC(=O)c1cccc(NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000184745584 879869580 /nfs/dbraw/zinc/86/95/80/879869580.db2.gz JMBJYZDZRFJZDW-QZTJIDSGSA-N 2 2 393.531 3.574 20 0 GHADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000531593421 880139571 /nfs/dbraw/zinc/13/95/71/880139571.db2.gz XUPYVVQZUWYKFU-UHFFFAOYSA-N 2 2 396.560 3.977 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)[C@@H](C)C1 ZINC000453109286 880477352 /nfs/dbraw/zinc/47/73/52/880477352.db2.gz AGMYBKURYJCBKS-ZJOUEHCJSA-N 2 2 384.568 3.875 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)[C@@H](C)C1 ZINC000453109286 880477360 /nfs/dbraw/zinc/47/73/60/880477360.db2.gz AGMYBKURYJCBKS-ZJOUEHCJSA-N 2 2 384.568 3.875 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000113608128 880712872 /nfs/dbraw/zinc/71/28/72/880712872.db2.gz XDWMKXITNPLROL-UHFFFAOYSA-N 2 2 396.535 3.513 20 0 GHADLP C[C@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000531943971 880763961 /nfs/dbraw/zinc/76/39/61/880763961.db2.gz MJHBRSAMOMZOJW-PGRDOPGGSA-N 2 2 378.520 3.801 20 0 GHADLP CCC1(CC)[C@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C[C@H]1OC ZINC000453324454 880795879 /nfs/dbraw/zinc/79/58/79/880795879.db2.gz LGQPRZULUVSOKH-FGZHOGPDSA-N 2 2 387.568 3.793 20 0 GHADLP Fc1ccc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2cccnc2)cc1 ZINC000542479393 880932454 /nfs/dbraw/zinc/93/24/54/880932454.db2.gz RFONXYFMYDPDCV-XMMPIXPASA-N 2 2 391.490 3.932 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(OC4CCCC4)cc3)CC2)CC1 ZINC000643362750 912657179 /nfs/dbraw/zinc/65/71/79/912657179.db2.gz BPTSQXVEBAMNCP-UHFFFAOYSA-N 2 2 399.579 3.640 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(OC4CCCC4)cc3)CC2)CC1 ZINC000643362750 912657190 /nfs/dbraw/zinc/65/71/90/912657190.db2.gz BPTSQXVEBAMNCP-UHFFFAOYSA-N 2 2 399.579 3.640 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3oc4c(cccc4F)c3C)CC2)CC1 ZINC000643362600 912657678 /nfs/dbraw/zinc/65/76/78/912657678.db2.gz LGPBALKVXSALNX-UHFFFAOYSA-N 2 2 387.499 3.513 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3oc4c(cccc4F)c3C)CC2)CC1 ZINC000643362600 912657691 /nfs/dbraw/zinc/65/76/91/912657691.db2.gz LGPBALKVXSALNX-UHFFFAOYSA-N 2 2 387.499 3.513 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCc3ccc(C)c(Cl)c3)CC2)CC1 ZINC000643362625 912658091 /nfs/dbraw/zinc/65/80/91/912658091.db2.gz ZLROCSYVNLOLHW-UHFFFAOYSA-N 2 2 391.987 3.600 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCc3ccc(C)c(Cl)c3)CC2)CC1 ZINC000643362625 912658097 /nfs/dbraw/zinc/65/80/97/912658097.db2.gz ZLROCSYVNLOLHW-UHFFFAOYSA-N 2 2 391.987 3.600 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000182091468 883182420 /nfs/dbraw/zinc/18/24/20/883182420.db2.gz SZFPBFKIQUDLGI-LJQANCHMSA-N 2 2 376.504 3.849 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000182091468 883182423 /nfs/dbraw/zinc/18/24/23/883182423.db2.gz SZFPBFKIQUDLGI-LJQANCHMSA-N 2 2 376.504 3.849 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000643492951 912723390 /nfs/dbraw/zinc/72/33/90/912723390.db2.gz AMNBVMKZKDFPPV-TZRRMPRUSA-N 3 2 398.595 3.510 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cccn2)cc1 ZINC000551391793 883791343 /nfs/dbraw/zinc/79/13/43/883791343.db2.gz OKHMQSWIMJFYNC-YKSBVNFPSA-N 2 2 390.531 3.814 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cccn2)cc1 ZINC000551391793 883791351 /nfs/dbraw/zinc/79/13/51/883791351.db2.gz OKHMQSWIMJFYNC-YKSBVNFPSA-N 2 2 390.531 3.814 20 0 GHADLP CC[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551394080 883802219 /nfs/dbraw/zinc/80/22/19/883802219.db2.gz AGMCHNPSDJKJOS-ZEQRLZLVSA-N 2 2 382.548 3.551 20 0 GHADLP CC[C@@H](CO)[N@H+](Cc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551394080 883802235 /nfs/dbraw/zinc/80/22/35/883802235.db2.gz AGMCHNPSDJKJOS-ZEQRLZLVSA-N 2 2 382.548 3.551 20 0 GHADLP CC[C@@H](CO)[NH+](Cc1ccccc1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551394080 883802254 /nfs/dbraw/zinc/80/22/54/883802254.db2.gz AGMCHNPSDJKJOS-ZEQRLZLVSA-N 2 2 382.548 3.551 20 0 GHADLP CC[C@@H](CO)[NH+](Cc1ccccc1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551394080 883802271 /nfs/dbraw/zinc/80/22/71/883802271.db2.gz AGMCHNPSDJKJOS-ZEQRLZLVSA-N 2 2 382.548 3.551 20 0 GHADLP CC(=O)N1CC[NH+](Cc2ccccc2NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000188500203 883854557 /nfs/dbraw/zinc/85/45/57/883854557.db2.gz ZWIUJMAZBOFJSP-UHFFFAOYSA-N 2 2 398.595 3.560 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429546402 884021813 /nfs/dbraw/zinc/02/18/13/884021813.db2.gz HQOAFGCLYNLNHO-DENIHFKCSA-N 2 2 379.548 3.697 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429546402 884021827 /nfs/dbraw/zinc/02/18/27/884021827.db2.gz HQOAFGCLYNLNHO-DENIHFKCSA-N 2 2 379.548 3.697 20 0 GHADLP Cc1cncc(-c2nc(C[NH+]3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)no2)c1 ZINC000556226430 884157638 /nfs/dbraw/zinc/15/76/38/884157638.db2.gz VUCRGFVLBVXAHM-SFHVURJKSA-N 2 2 383.540 3.917 20 0 GHADLP Cc1cncc(-c2nc(C[NH+]3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)no2)c1 ZINC000556226430 884157646 /nfs/dbraw/zinc/15/76/46/884157646.db2.gz VUCRGFVLBVXAHM-SFHVURJKSA-N 2 2 383.540 3.917 20 0 GHADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000556239242 884205965 /nfs/dbraw/zinc/20/59/65/884205965.db2.gz BSAAYWJPACBHSY-MAUKXSAKSA-N 2 2 378.969 3.731 20 0 GHADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000556239242 884205978 /nfs/dbraw/zinc/20/59/78/884205978.db2.gz BSAAYWJPACBHSY-MAUKXSAKSA-N 2 2 378.969 3.731 20 0 GHADLP C[N@@H+]1CCC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000498378362 884222090 /nfs/dbraw/zinc/22/20/90/884222090.db2.gz PXBXLDDWURRUCV-BEFAXECRSA-N 2 2 394.441 3.560 20 0 GHADLP C[N@H+]1CCC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000498378362 884222104 /nfs/dbraw/zinc/22/21/04/884222104.db2.gz PXBXLDDWURRUCV-BEFAXECRSA-N 2 2 394.441 3.560 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CCc4nc(Cl)ccc43)CC2)c1 ZINC000806130432 884390740 /nfs/dbraw/zinc/39/07/40/884390740.db2.gz YFNZNYFHLVKGRY-FQEVSTJZSA-N 2 2 384.955 3.833 20 0 GHADLP OC[C@@H]1COc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000897948839 884525289 /nfs/dbraw/zinc/52/52/89/884525289.db2.gz RITJOVXPMUTMCW-JDCWHPJTSA-N 2 2 378.516 3.686 20 0 GHADLP OC[C@@H]1COc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000897948839 884525297 /nfs/dbraw/zinc/52/52/97/884525297.db2.gz RITJOVXPMUTMCW-JDCWHPJTSA-N 2 2 378.516 3.686 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000250116632 884545608 /nfs/dbraw/zinc/54/56/08/884545608.db2.gz UORFMEYXMLHMID-NQHRYMMQSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000250116632 884545615 /nfs/dbraw/zinc/54/56/15/884545615.db2.gz UORFMEYXMLHMID-NQHRYMMQSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000250116632 884545628 /nfs/dbraw/zinc/54/56/28/884545628.db2.gz UORFMEYXMLHMID-NQHRYMMQSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000250116632 884545632 /nfs/dbraw/zinc/54/56/32/884545632.db2.gz UORFMEYXMLHMID-NQHRYMMQSA-N 2 2 392.591 3.936 20 0 GHADLP Cc1c(Br)cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1Br ZINC000556391901 884754447 /nfs/dbraw/zinc/75/44/47/884754447.db2.gz HWDFMWANJHBPAH-SNVBAGLBSA-N 2 2 387.119 3.895 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130542590 884758324 /nfs/dbraw/zinc/75/83/24/884758324.db2.gz ISQDZIFCDHSAMY-QFIPXVFZSA-N 2 2 392.503 3.902 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130542590 884758338 /nfs/dbraw/zinc/75/83/38/884758338.db2.gz ISQDZIFCDHSAMY-QFIPXVFZSA-N 2 2 392.503 3.902 20 0 GHADLP C[N@H+]1Cc2c(NC(=O)CCc3ccc(N)[nH+]c3)cccc2[C@H](c2ccccc2)C1 ZINC001183935346 912892647 /nfs/dbraw/zinc/89/26/47/912892647.db2.gz USAGCHJUHCYLGT-FQEVSTJZSA-N 2 2 386.499 3.812 20 0 GHADLP C[N@@H+]1Cc2c(NC(=O)CCc3ccc(N)[nH+]c3)cccc2[C@H](c2ccccc2)C1 ZINC001183935346 912892665 /nfs/dbraw/zinc/89/26/65/912892665.db2.gz USAGCHJUHCYLGT-FQEVSTJZSA-N 2 2 386.499 3.812 20 0 GHADLP CC(C)[C@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[NH+](C)C ZINC000106917578 885205531 /nfs/dbraw/zinc/20/55/31/885205531.db2.gz YBQLUMJYSOXKTK-HSZRJFAPSA-N 2 2 390.531 3.801 20 0 GHADLP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000303026706 885430280 /nfs/dbraw/zinc/43/02/80/885430280.db2.gz OKIOSQBJBZNLSN-VQTJNVASSA-N 2 2 382.527 3.816 20 0 GHADLP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000303026706 885430287 /nfs/dbraw/zinc/43/02/87/885430287.db2.gz OKIOSQBJBZNLSN-VQTJNVASSA-N 2 2 382.527 3.816 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000532521945 885881300 /nfs/dbraw/zinc/88/13/00/885881300.db2.gz AGZZBYBCSHQLBZ-ROKPMTFOSA-N 2 2 390.531 3.812 20 0 GHADLP S=c1sc(N2CCCC2)nn1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000155070058 886258341 /nfs/dbraw/zinc/25/83/41/886258341.db2.gz GTYOWAWVLAOMCG-UHFFFAOYSA-N 2 2 395.642 3.820 20 0 GHADLP CCC[N@H+](Cc1nc(C(C)(C)C)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198117 886306010 /nfs/dbraw/zinc/30/60/10/886306010.db2.gz XNVZHRLPZOVYMO-UHFFFAOYSA-N 2 2 386.544 3.655 20 0 GHADLP CCC[N@@H+](Cc1nc(C(C)(C)C)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198117 886306027 /nfs/dbraw/zinc/30/60/27/886306027.db2.gz XNVZHRLPZOVYMO-UHFFFAOYSA-N 2 2 386.544 3.655 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000119412930 886667792 /nfs/dbraw/zinc/66/77/92/886667792.db2.gz FZYGKSIULBKNIM-NHCUHLMSSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000119412930 886667800 /nfs/dbraw/zinc/66/78/00/886667800.db2.gz FZYGKSIULBKNIM-NHCUHLMSSA-N 2 2 390.547 3.935 20 0 GHADLP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc2ccccc2o1 ZINC000556925073 886718438 /nfs/dbraw/zinc/71/84/38/886718438.db2.gz YBYAKFATWAFUNF-LZSHCIMRSA-N 2 2 383.536 3.803 20 0 GHADLP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc2ccccc2o1 ZINC000556925073 886718447 /nfs/dbraw/zinc/71/84/47/886718447.db2.gz YBYAKFATWAFUNF-LZSHCIMRSA-N 2 2 383.536 3.803 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 ZINC000236586007 886867780 /nfs/dbraw/zinc/86/77/80/886867780.db2.gz IDMONFCFEPDPLL-RUZDIDTESA-N 2 2 377.576 3.948 20 0 GHADLP C[C@@H](CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@@H]1CCC[NH2+]C1 ZINC000237415412 886945032 /nfs/dbraw/zinc/94/50/32/886945032.db2.gz ONFQPHDQRJBXJD-FUHWJXTLSA-N 2 2 398.576 3.666 20 0 GHADLP C[C@@H](CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@@H]1CCC[NH2+]C1 ZINC000237415412 886945056 /nfs/dbraw/zinc/94/50/56/886945056.db2.gz ONFQPHDQRJBXJD-FUHWJXTLSA-N 2 2 398.576 3.666 20 0 GHADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc4c[nH]nc4c3)CC2)c1 ZINC000237823465 886996130 /nfs/dbraw/zinc/99/61/30/886996130.db2.gz PJQQJQZJQJCMLP-UHFFFAOYSA-N 2 2 383.927 3.518 20 0 GHADLP COc1cc(Br)ccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655757587 887413439 /nfs/dbraw/zinc/41/34/39/887413439.db2.gz JHCKGGZQEVGUIE-PBHICJAKSA-N 2 2 397.357 3.752 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cc(Cl)cc(Cl)c3)[nH+]c2)CC1 ZINC000532675976 887597243 /nfs/dbraw/zinc/59/72/43/887597243.db2.gz SXRICVKHZDTDPE-UHFFFAOYSA-N 2 2 379.335 3.953 20 0 GHADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809719398 887741715 /nfs/dbraw/zinc/74/17/15/887741715.db2.gz YZRXCVQRGSHBMQ-OAQYLSRUSA-N 2 2 379.545 3.680 20 0 GHADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809719398 887741723 /nfs/dbraw/zinc/74/17/23/887741723.db2.gz YZRXCVQRGSHBMQ-OAQYLSRUSA-N 2 2 379.545 3.680 20 0 GHADLP C[NH+](CCC[N@H+](C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)Cc1ccco1 ZINC000809719398 887741732 /nfs/dbraw/zinc/74/17/32/887741732.db2.gz YZRXCVQRGSHBMQ-OAQYLSRUSA-N 2 2 379.545 3.680 20 0 GHADLP C[NH+](CCC[N@@H+](C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)Cc1ccco1 ZINC000809719398 887741744 /nfs/dbraw/zinc/74/17/44/887741744.db2.gz YZRXCVQRGSHBMQ-OAQYLSRUSA-N 2 2 379.545 3.680 20 0 GHADLP CCOc1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1OCc1ccccc1 ZINC000729684175 888524886 /nfs/dbraw/zinc/52/48/86/888524886.db2.gz KNPPTNFCJZQAAL-YADHBBJMSA-N 2 2 396.531 3.617 20 0 GHADLP CCOc1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1OCc1ccccc1 ZINC000729684175 888524898 /nfs/dbraw/zinc/52/48/98/888524898.db2.gz KNPPTNFCJZQAAL-YADHBBJMSA-N 2 2 396.531 3.617 20 0 GHADLP c1ccc(COC[C@@H]2CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000509671800 888758620 /nfs/dbraw/zinc/75/86/20/888758620.db2.gz QULYQTYCTISZNK-XMMPIXPASA-N 2 2 393.575 3.737 20 0 GHADLP c1ccc(COC[C@@H]2CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000509671800 888758628 /nfs/dbraw/zinc/75/86/28/888758628.db2.gz QULYQTYCTISZNK-XMMPIXPASA-N 2 2 393.575 3.737 20 0 GHADLP CC(C)(C)[NH+]1CCC(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000454350992 888894353 /nfs/dbraw/zinc/89/43/53/888894353.db2.gz DQYMWBFWCHWLMM-UHFFFAOYSA-N 2 2 389.931 3.588 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000245547247 888899982 /nfs/dbraw/zinc/89/99/82/888899982.db2.gz WJBKLWJLFOXOJP-LANMQJKKSA-N 2 2 387.568 3.782 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000245547247 888899997 /nfs/dbraw/zinc/89/99/97/888899997.db2.gz WJBKLWJLFOXOJP-LANMQJKKSA-N 2 2 387.568 3.782 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C4(CCC4)C3)CC2)cc1 ZINC001168509662 888963585 /nfs/dbraw/zinc/96/35/85/888963585.db2.gz OCISMIBDCQPKMI-NRFANRHFSA-N 2 2 397.607 3.966 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](C)C4(CCC4)C3)CC2)cc1 ZINC001168509662 888963597 /nfs/dbraw/zinc/96/35/97/888963597.db2.gz OCISMIBDCQPKMI-NRFANRHFSA-N 2 2 397.607 3.966 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245700493 889281609 /nfs/dbraw/zinc/28/16/09/889281609.db2.gz LRZOSEZGFDVPFX-ARXROMJUSA-N 3 2 397.607 3.540 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245700493 889281620 /nfs/dbraw/zinc/28/16/20/889281620.db2.gz LRZOSEZGFDVPFX-ARXROMJUSA-N 3 2 397.607 3.540 20 0 GHADLP O[C@H](C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)Cc1ccccc1C(F)(F)F ZINC000644519643 913333261 /nfs/dbraw/zinc/33/32/61/913333261.db2.gz FHSSULRPUBZSDJ-IBGZPJMESA-N 2 2 389.421 3.643 20 0 GHADLP C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000124460579 889640050 /nfs/dbraw/zinc/64/00/50/889640050.db2.gz VFZOSXATFWEAGD-VQIMIIECSA-N 2 2 380.374 3.612 20 0 GHADLP C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000124460579 889640055 /nfs/dbraw/zinc/64/00/55/889640055.db2.gz VFZOSXATFWEAGD-VQIMIIECSA-N 2 2 380.374 3.612 20 0 GHADLP CN(C(=O)c1ccc(Cl)s1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124618768 889698100 /nfs/dbraw/zinc/69/81/00/889698100.db2.gz HQMGMSDKQVUJGY-CVEARBPZSA-N 2 2 383.989 3.811 20 0 GHADLP CN(C(=O)c1ccc(Cl)s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124618768 889698107 /nfs/dbraw/zinc/69/81/07/889698107.db2.gz HQMGMSDKQVUJGY-CVEARBPZSA-N 2 2 383.989 3.811 20 0 GHADLP CCN(C)c1nc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)[nH+]cc1C ZINC001170639661 889833491 /nfs/dbraw/zinc/83/34/91/889833491.db2.gz BUJLIIIFYMINCB-NSKBAKJYSA-N 2 2 379.552 3.874 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)[C@H](C)C1 ZINC000125093777 889871874 /nfs/dbraw/zinc/87/18/74/889871874.db2.gz JXORRTSHPZYFLW-DPLHUUCSSA-N 3 2 387.612 3.939 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)[C@H](C)C1 ZINC000125093777 889871880 /nfs/dbraw/zinc/87/18/80/889871880.db2.gz JXORRTSHPZYFLW-DPLHUUCSSA-N 3 2 387.612 3.939 20 0 GHADLP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000533271577 890139562 /nfs/dbraw/zinc/13/95/62/890139562.db2.gz ABICWJCDOOMQJL-UHFFFAOYSA-N 2 2 392.594 3.862 20 0 GHADLP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000533271577 890139570 /nfs/dbraw/zinc/13/95/70/890139570.db2.gz ABICWJCDOOMQJL-UHFFFAOYSA-N 2 2 392.594 3.862 20 0 GHADLP O=C(c1ccc(Cl)cc1)N1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000153775224 913431806 /nfs/dbraw/zinc/43/18/06/913431806.db2.gz RHQGUSQXEHPLGO-LJQANCHMSA-N 2 2 375.944 3.551 20 0 GHADLP O=C(c1ccc(Cl)cc1)N1CCC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000153775224 913431809 /nfs/dbraw/zinc/43/18/09/913431809.db2.gz RHQGUSQXEHPLGO-LJQANCHMSA-N 2 2 375.944 3.551 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000812834666 891018492 /nfs/dbraw/zinc/01/84/92/891018492.db2.gz DOINXRVXCMVVCF-QHCPKHFHSA-N 2 2 395.522 3.536 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3([C@H](O)c4ccccc4)CC3)CC2)cc1 ZINC000812840065 891029271 /nfs/dbraw/zinc/02/92/71/891029271.db2.gz QXPYTBVCLTVSIM-HSZRJFAPSA-N 2 2 379.548 3.825 20 0 GHADLP CC(C)c1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000533646979 891038917 /nfs/dbraw/zinc/03/89/17/891038917.db2.gz HLSIAFGPGNPIRF-YADHBBJMSA-N 2 2 386.584 3.614 20 0 GHADLP CC(C)c1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000533646979 891038927 /nfs/dbraw/zinc/03/89/27/891038927.db2.gz HLSIAFGPGNPIRF-YADHBBJMSA-N 2 2 386.584 3.614 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)[C@@H]1C ZINC000533662956 891071396 /nfs/dbraw/zinc/07/13/96/891071396.db2.gz PLPDGSJNAQTJAE-VBCWZRPASA-N 2 2 392.632 3.790 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)[C@@H]1C ZINC000533662956 891071417 /nfs/dbraw/zinc/07/14/17/891071417.db2.gz PLPDGSJNAQTJAE-VBCWZRPASA-N 2 2 392.632 3.790 20 0 GHADLP CC[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000533664135 891072664 /nfs/dbraw/zinc/07/26/64/891072664.db2.gz IYUFIKAQHUVVIH-WAGURGNTSA-N 2 2 392.632 3.934 20 0 GHADLP CC[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000533664135 891072675 /nfs/dbraw/zinc/07/26/75/891072675.db2.gz IYUFIKAQHUVVIH-WAGURGNTSA-N 2 2 392.632 3.934 20 0 GHADLP CN(C(=O)NCCCC1CCCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533665284 891074656 /nfs/dbraw/zinc/07/46/56/891074656.db2.gz WERLYGFZKSMSAY-FCHUYYIVSA-N 2 2 392.632 3.935 20 0 GHADLP CN(C(=O)NCCCC1CCCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533665284 891074669 /nfs/dbraw/zinc/07/46/69/891074669.db2.gz WERLYGFZKSMSAY-FCHUYYIVSA-N 2 2 392.632 3.935 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000644863490 913519501 /nfs/dbraw/zinc/51/95/01/913519501.db2.gz WZTHCNAXJDNEOG-VXKWHMMOSA-N 2 2 388.515 3.665 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000644863490 913519508 /nfs/dbraw/zinc/51/95/08/913519508.db2.gz WZTHCNAXJDNEOG-VXKWHMMOSA-N 2 2 388.515 3.665 20 0 GHADLP CN(C(=O)N[C@@H]1CCCC1(C)C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533673977 891112858 /nfs/dbraw/zinc/11/28/58/891112858.db2.gz FYSGWVAIYXYUDA-HSALFYBXSA-N 2 2 378.605 3.544 20 0 GHADLP CN(C(=O)N[C@@H]1CCCC1(C)C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533673977 891112867 /nfs/dbraw/zinc/11/28/67/891112867.db2.gz FYSGWVAIYXYUDA-HSALFYBXSA-N 2 2 378.605 3.544 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CCC(c4nc(-c5ccccn5)no4)CC3)cc2)c[nH+]1 ZINC000069016240 891191728 /nfs/dbraw/zinc/19/17/28/891191728.db2.gz OGLKPOQUXUUNLZ-UHFFFAOYSA-N 2 2 386.459 3.697 20 0 GHADLP COc1ccccc1N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000246941550 891324916 /nfs/dbraw/zinc/32/49/16/891324916.db2.gz HSKWDIQMUUETMD-SIKLNZKXSA-N 2 2 394.563 3.559 20 0 GHADLP COc1ccccc1N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000246941550 891324933 /nfs/dbraw/zinc/32/49/33/891324933.db2.gz HSKWDIQMUUETMD-SIKLNZKXSA-N 2 2 394.563 3.559 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@H](c3nccn3C)c3cccc(F)c3)CC2)[nH+]1 ZINC000497398462 891492237 /nfs/dbraw/zinc/49/22/37/891492237.db2.gz DGNSCSZVUSSHRI-NRFANRHFSA-N 2 2 379.483 3.611 20 0 GHADLP CCCC1(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000162277635 892156297 /nfs/dbraw/zinc/15/62/97/892156297.db2.gz VELIJCDFTIJAJZ-PMACEKPBSA-N 2 2 378.605 3.545 20 0 GHADLP CCCC1(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000162277635 892156304 /nfs/dbraw/zinc/15/63/04/892156304.db2.gz VELIJCDFTIJAJZ-PMACEKPBSA-N 2 2 378.605 3.545 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1ccc2nc(C)ccc2c1)[C@H]1CC12CC[NH2+]CC2 ZINC000262043024 892204641 /nfs/dbraw/zinc/20/46/41/892204641.db2.gz YNKPXSOKVDMORG-QFIPXVFZSA-N 2 2 389.547 3.904 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1ccc2nc(C)ccc2c1)[C@H]1CC12CC[NH2+]CC2 ZINC000262043024 892204663 /nfs/dbraw/zinc/20/46/63/892204663.db2.gz YNKPXSOKVDMORG-QFIPXVFZSA-N 2 2 389.547 3.904 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000125327493 892502603 /nfs/dbraw/zinc/50/26/03/892502603.db2.gz PBASHRJRVZCDHM-LEOXJPRUSA-N 2 2 381.564 3.913 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000125327493 892502611 /nfs/dbraw/zinc/50/26/11/892502611.db2.gz PBASHRJRVZCDHM-LEOXJPRUSA-N 2 2 381.564 3.913 20 0 GHADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000778188245 893176936 /nfs/dbraw/zinc/17/69/36/893176936.db2.gz FUKJHLZJYAWUGG-AWEZNQCLSA-N 2 2 376.291 3.789 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cnn1-c1ccc(Cl)cc1Cl ZINC000562962676 893222115 /nfs/dbraw/zinc/22/21/15/893222115.db2.gz KKBKECYRILPNMA-IUODEOHRSA-N 2 2 383.323 3.517 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(OC(C)(C)C)c3)CC2)CC1 ZINC000934050568 893358596 /nfs/dbraw/zinc/35/85/96/893358596.db2.gz UOWOUCGHFAXHCH-UHFFFAOYSA-N 2 2 388.556 3.544 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000129443193 893420690 /nfs/dbraw/zinc/42/06/90/893420690.db2.gz HOJPKOQBWNDZOF-JZWVFAODSA-N 2 2 380.536 3.814 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000129443193 893420699 /nfs/dbraw/zinc/42/06/99/893420699.db2.gz HOJPKOQBWNDZOF-JZWVFAODSA-N 2 2 380.536 3.814 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815078397 893424202 /nfs/dbraw/zinc/42/42/02/893424202.db2.gz BOKBWQBNFDMZOX-INIZCTEOSA-N 2 2 386.721 3.529 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815078397 893424218 /nfs/dbraw/zinc/42/42/18/893424218.db2.gz BOKBWQBNFDMZOX-INIZCTEOSA-N 2 2 386.721 3.529 20 0 GHADLP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000645234098 913770231 /nfs/dbraw/zinc/77/02/31/913770231.db2.gz OJVWMADAWIRFML-OAHLLOKOSA-N 2 2 391.437 3.683 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccccc3OCCCCO)CC2)cc1 ZINC000877066914 893466830 /nfs/dbraw/zinc/46/68/30/893466830.db2.gz WWZQLCXGJACXIU-UHFFFAOYSA-N 2 2 397.563 3.663 20 0 GHADLP Cc1ccc(N2CCC([NH2+]Cc3cccc(O)c3Br)CC2)[nH+]c1 ZINC000459426889 893510896 /nfs/dbraw/zinc/51/08/96/893510896.db2.gz IVLYMYYQEYXPOB-UHFFFAOYSA-N 2 2 376.298 3.617 20 0 GHADLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc2c1OCO2 ZINC000536676720 893519595 /nfs/dbraw/zinc/51/95/95/893519595.db2.gz NAQOVUSXCDOFSU-PXNSSMCTSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc2c1OCO2 ZINC000536676720 893519617 /nfs/dbraw/zinc/51/96/17/893519617.db2.gz NAQOVUSXCDOFSU-PXNSSMCTSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc2c1OCO2 ZINC000536676720 893519636 /nfs/dbraw/zinc/51/96/36/893519636.db2.gz NAQOVUSXCDOFSU-PXNSSMCTSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc2c1OCO2 ZINC000536676720 893519663 /nfs/dbraw/zinc/51/96/63/893519663.db2.gz NAQOVUSXCDOFSU-PXNSSMCTSA-N 2 2 382.504 3.909 20 0 GHADLP O=C1[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCCN1c1ccc(Cl)cc1Cl ZINC000459495705 893622735 /nfs/dbraw/zinc/62/27/35/893622735.db2.gz MNRDEWDCEWFBHQ-KRWDZBQOSA-N 2 2 382.335 3.705 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)ccc1Cl ZINC000877624664 893727225 /nfs/dbraw/zinc/72/72/25/893727225.db2.gz GTNYLPDRAYHSTG-UZLBHIALSA-N 2 2 399.922 3.979 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)ccc1Cl ZINC000877624664 893727240 /nfs/dbraw/zinc/72/72/40/893727240.db2.gz GTNYLPDRAYHSTG-UZLBHIALSA-N 2 2 399.922 3.979 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000815559598 893998360 /nfs/dbraw/zinc/99/83/60/893998360.db2.gz LGSXDRIMDNJWLD-QGZVFWFLSA-N 2 2 380.492 3.748 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)cn1 ZINC000815562111 894000002 /nfs/dbraw/zinc/00/00/02/894000002.db2.gz XFZFOCCBYBVMAR-MRXNPFEDSA-N 2 2 391.475 3.773 20 0 GHADLP COc1ccc2c(c1)[C@H](Nc1ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]1)CCCO2 ZINC000537455501 895037618 /nfs/dbraw/zinc/03/76/18/895037618.db2.gz DTJGWBBZCWNEOA-FXAWDEMLSA-N 2 2 382.508 3.556 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cnn(Cc2ccccc2)c1 ZINC000537458080 895058838 /nfs/dbraw/zinc/05/88/38/895058838.db2.gz URBKZTFTNSRGDH-XMSQKQJNSA-N 2 2 390.535 3.640 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)Nc2ccn3cc[nH+]c3c2)C[N@@H+]1Cc1ccccc1 ZINC000564690195 895184261 /nfs/dbraw/zinc/18/42/61/895184261.db2.gz QBIZRDFVLYKLKU-MJGOQNOKSA-N 2 2 377.492 3.757 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)Nc2ccn3cc[nH+]c3c2)C[N@H+]1Cc1ccccc1 ZINC000564690195 895184265 /nfs/dbraw/zinc/18/42/65/895184265.db2.gz QBIZRDFVLYKLKU-MJGOQNOKSA-N 2 2 377.492 3.757 20 0 GHADLP CN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@@H]1CCCc2ccccc21 ZINC000564700503 895194915 /nfs/dbraw/zinc/19/49/15/895194915.db2.gz CFWQLEUAOSOCOQ-JOCHJYFZSA-N 2 2 398.595 3.656 20 0 GHADLP Cc1[nH+]cn([C@@H]2CCc3ccc(Br)cc3C2)c1CSCC[NH3+] ZINC001170855578 895345391 /nfs/dbraw/zinc/34/53/91/895345391.db2.gz ZEGHYWVAKLWUAF-MRXNPFEDSA-N 2 2 380.355 3.876 20 0 GHADLP COCC[NH2+]C1CC[NH+]([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000565092695 895386200 /nfs/dbraw/zinc/38/62/00/895386200.db2.gz KUWFXIYICINZTA-GOSISDBHSA-N 2 2 381.520 3.700 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc4ccccc4nc3Cl)CC2)CC1 ZINC000817287954 895440795 /nfs/dbraw/zinc/44/07/95/895440795.db2.gz REMUQGHBZJBXKE-UHFFFAOYSA-N 2 2 386.971 3.880 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc4ccccc4nc3Cl)CC2)CC1 ZINC000817287954 895440812 /nfs/dbraw/zinc/44/08/12/895440812.db2.gz REMUQGHBZJBXKE-UHFFFAOYSA-N 2 2 386.971 3.880 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc4ccccc4nc3Cl)CC2)CC1 ZINC000817287954 895440817 /nfs/dbraw/zinc/44/08/17/895440817.db2.gz REMUQGHBZJBXKE-UHFFFAOYSA-N 2 2 386.971 3.880 20 0 GHADLP Cc1nc2ccccc2n1CCCCC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880207190 895572326 /nfs/dbraw/zinc/57/23/26/895572326.db2.gz URIQCMCIDVMFPM-OAQYLSRUSA-N 2 2 384.568 3.748 20 0 GHADLP Cc1nc2ccccc2n1CCCCC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880207190 895572340 /nfs/dbraw/zinc/57/23/40/895572340.db2.gz URIQCMCIDVMFPM-OAQYLSRUSA-N 2 2 384.568 3.748 20 0 GHADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571057 895753253 /nfs/dbraw/zinc/75/32/53/895753253.db2.gz NAFOLMSRXSQOAV-IIBYNOLFSA-N 2 2 398.457 3.712 20 0 GHADLP COc1cc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)ccc1SC(F)F ZINC000817950665 895974924 /nfs/dbraw/zinc/97/49/24/895974924.db2.gz ZKQKAUCZSZCDRC-CYBMUJFWSA-N 2 2 394.491 3.988 20 0 GHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000566106447 896112158 /nfs/dbraw/zinc/11/21/58/896112158.db2.gz QCCIPUNQVAAQKQ-SIKLNZKXSA-N 2 2 393.531 3.627 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000819109694 896415341 /nfs/dbraw/zinc/41/53/41/896415341.db2.gz ZAUVSLAVRJYQNL-JOCHJYFZSA-N 2 2 387.955 3.568 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4cccc5cccnc54)CC3)C2)co1 ZINC001137173148 896665292 /nfs/dbraw/zinc/66/52/92/896665292.db2.gz IVXGIYBTFZULIA-UHFFFAOYSA-N 2 2 377.488 3.695 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc5cccnc54)CC3)C2)co1 ZINC001137173148 896665301 /nfs/dbraw/zinc/66/53/01/896665301.db2.gz IVXGIYBTFZULIA-UHFFFAOYSA-N 2 2 377.488 3.695 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Br)c(Br)c1 ZINC000567148407 896914852 /nfs/dbraw/zinc/91/48/52/896914852.db2.gz PZVZAANMTHYOLK-UHFFFAOYSA-N 2 2 387.119 3.930 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Br)c(Br)c1 ZINC000567148407 896914859 /nfs/dbraw/zinc/91/48/59/896914859.db2.gz PZVZAANMTHYOLK-UHFFFAOYSA-N 2 2 387.119 3.930 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@H+](C)CCCn2cc[nH+]c2)n1 ZINC000130637781 897164691 /nfs/dbraw/zinc/16/46/91/897164691.db2.gz DXSCCTBQOASLJI-UHFFFAOYSA-N 2 2 379.295 3.736 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@@H+](C)CCCn2cc[nH+]c2)n1 ZINC000130637781 897164703 /nfs/dbraw/zinc/16/47/03/897164703.db2.gz DXSCCTBQOASLJI-UHFFFAOYSA-N 2 2 379.295 3.736 20 0 GHADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000883231355 897390527 /nfs/dbraw/zinc/39/05/27/897390527.db2.gz IMOBIURAWGIWLV-QFIPXVFZSA-N 2 2 395.551 3.578 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1sccc1Br ZINC000883288496 897452852 /nfs/dbraw/zinc/45/28/52/897452852.db2.gz HNGUGGJACKILAB-WMLDXEAASA-N 2 2 394.382 3.948 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1sccc1Br ZINC000883288496 897452860 /nfs/dbraw/zinc/45/28/60/897452860.db2.gz HNGUGGJACKILAB-WMLDXEAASA-N 2 2 394.382 3.948 20 0 GHADLP Cc1noc(C2CCC([NH2+]c3ccc(N4CC[N@@H+]5CCC[C@H]5C4)cc3)CC2)n1 ZINC000883346551 897517952 /nfs/dbraw/zinc/51/79/52/897517952.db2.gz CAIUIABDVBAVIR-NGICGMGXSA-N 2 2 381.524 3.801 20 0 GHADLP Cc1noc(C2CCC([NH2+]c3ccc(N4CC[N@H+]5CCC[C@H]5C4)cc3)CC2)n1 ZINC000883346551 897517961 /nfs/dbraw/zinc/51/79/61/897517961.db2.gz CAIUIABDVBAVIR-NGICGMGXSA-N 2 2 381.524 3.801 20 0 GHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000883386320 897548352 /nfs/dbraw/zinc/54/83/52/897548352.db2.gz DGUHEJZWVSZOBY-KXBFYZLASA-N 2 2 387.480 3.518 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000883386367 897548615 /nfs/dbraw/zinc/54/86/15/897548615.db2.gz DUDFBJZUAYNFRI-UWJYYQICSA-N 2 2 398.532 3.737 20 0 GHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000883386158 897548953 /nfs/dbraw/zinc/54/89/53/897548953.db2.gz APEVOOYBFCHHCF-WMZHIEFXSA-N 3 2 378.520 3.916 20 0 GHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000883387578 897550054 /nfs/dbraw/zinc/55/00/54/897550054.db2.gz ZUXVCDYDRSHSMC-WMZHIEFXSA-N 2 2 376.504 3.812 20 0 GHADLP C[NH+](C)Cc1cc(C[NH2+]Cc2cn3ccc(Br)cc3n2)ccc1F ZINC000289408686 914174942 /nfs/dbraw/zinc/17/49/42/914174942.db2.gz BFSGSVVZYVDWFD-UHFFFAOYSA-N 2 2 391.288 3.587 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000568496325 897891122 /nfs/dbraw/zinc/89/11/22/897891122.db2.gz RURALWBCUSQIQS-UHFFFAOYSA-N 2 2 390.894 3.731 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000568496325 897891130 /nfs/dbraw/zinc/89/11/30/897891130.db2.gz RURALWBCUSQIQS-UHFFFAOYSA-N 2 2 390.894 3.731 20 0 GHADLP CN(C(=O)Nc1cc(C2CC2)ccn1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000568572006 897946112 /nfs/dbraw/zinc/94/61/12/897946112.db2.gz YOXWZFRKGPOECF-LEWJYISDSA-N 2 2 399.583 3.760 20 0 GHADLP CN(C(=O)Nc1cc(C2CC2)ccn1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000568572006 897946120 /nfs/dbraw/zinc/94/61/20/897946120.db2.gz YOXWZFRKGPOECF-LEWJYISDSA-N 2 2 399.583 3.760 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000568778263 898095513 /nfs/dbraw/zinc/09/55/13/898095513.db2.gz DXHYCAJBNHIFLA-NSHDSACASA-N 2 2 378.263 3.766 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000568778263 898095530 /nfs/dbraw/zinc/09/55/30/898095530.db2.gz DXHYCAJBNHIFLA-NSHDSACASA-N 2 2 378.263 3.766 20 0 GHADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc2ccccc2c1 ZINC000111244673 898794476 /nfs/dbraw/zinc/79/44/76/898794476.db2.gz VAYYSXXDIWHRCK-QZTJIDSGSA-N 2 2 376.504 3.939 20 0 GHADLP CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC001136703665 898944412 /nfs/dbraw/zinc/94/44/12/898944412.db2.gz XDGWAOITZBEJOV-NRFANRHFSA-N 2 2 398.551 3.574 20 0 GHADLP CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC001136703665 898944421 /nfs/dbraw/zinc/94/44/21/898944421.db2.gz XDGWAOITZBEJOV-NRFANRHFSA-N 2 2 398.551 3.574 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)c1ccccc1Cl ZINC000289689971 914297282 /nfs/dbraw/zinc/29/72/82/914297282.db2.gz DUXMIDMKJTYWEY-JXFKEZNVSA-N 2 2 388.943 3.607 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000824209708 899456121 /nfs/dbraw/zinc/45/61/21/899456121.db2.gz WARSDNWBUNDAPT-AKHDSKFASA-N 2 2 388.556 3.746 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000824388222 899577231 /nfs/dbraw/zinc/57/72/31/899577231.db2.gz BWKGADBWSYSROE-UGKGYDQZSA-N 2 2 388.556 3.632 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccccc2)C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000824395476 899582978 /nfs/dbraw/zinc/58/29/78/899582978.db2.gz GHVHBEXUCAVJJE-HYBUGGRVSA-N 2 2 399.579 3.840 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000824395476 899582986 /nfs/dbraw/zinc/58/29/86/899582986.db2.gz GHVHBEXUCAVJJE-HYBUGGRVSA-N 2 2 399.579 3.840 20 0 GHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000824935557 899896459 /nfs/dbraw/zinc/89/64/59/899896459.db2.gz IVWZTEARYZWONA-UHFFFAOYSA-N 2 2 376.526 3.813 20 0 GHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000824935557 899896463 /nfs/dbraw/zinc/89/64/63/899896463.db2.gz IVWZTEARYZWONA-UHFFFAOYSA-N 2 2 376.526 3.813 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCO[C@H](c4ccncc4)C3)CC2)cc1 ZINC000824954136 899905792 /nfs/dbraw/zinc/90/57/92/899905792.db2.gz OORHVXGKXIXOFQ-REWPJTCUSA-N 2 2 380.536 3.626 20 0 GHADLP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333213943 900041107 /nfs/dbraw/zinc/04/11/07/900041107.db2.gz CBNQMKOAMVMXNZ-UHFFFAOYSA-N 2 2 395.551 3.875 20 0 GHADLP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333213943 900041114 /nfs/dbraw/zinc/04/11/14/900041114.db2.gz CBNQMKOAMVMXNZ-UHFFFAOYSA-N 2 2 395.551 3.875 20 0 GHADLP O=C(OC1C[NH+](C(c2ccccc2)c2ccccc2)C1)C1CC[NH+](C2CC2)CC1 ZINC000805892797 900111445 /nfs/dbraw/zinc/11/14/45/900111445.db2.gz MAMFBIXZKHGSKG-UHFFFAOYSA-N 2 2 390.527 3.878 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)N(C)Cc3ccccc3)C2)s1 ZINC000573312503 900462651 /nfs/dbraw/zinc/46/26/51/900462651.db2.gz HGVWMTCHOQHXDY-CTNGQTDRSA-N 2 2 399.604 3.857 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)N(C)Cc3ccccc3)C2)s1 ZINC000573312503 900462660 /nfs/dbraw/zinc/46/26/60/900462660.db2.gz HGVWMTCHOQHXDY-CTNGQTDRSA-N 2 2 399.604 3.857 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)N(C)Cc3ccccc3)C2)s1 ZINC000573312503 900462666 /nfs/dbraw/zinc/46/26/66/900462666.db2.gz HGVWMTCHOQHXDY-CTNGQTDRSA-N 2 2 399.604 3.857 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)N(C)Cc3ccccc3)C2)s1 ZINC000573312503 900462673 /nfs/dbraw/zinc/46/26/73/900462673.db2.gz HGVWMTCHOQHXDY-CTNGQTDRSA-N 2 2 399.604 3.857 20 0 GHADLP Cc1[nH]c(C2CC[NH+](Cc3cn4cc(Br)ccc4n3)CC2)[nH+]c1C ZINC000886667566 901215552 /nfs/dbraw/zinc/21/55/52/901215552.db2.gz CSAJMSGUHKRUDH-UHFFFAOYSA-N 2 2 388.313 3.816 20 0 GHADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000826513756 901395240 /nfs/dbraw/zinc/39/52/40/901395240.db2.gz VEYFHLSTGBYOQG-RCZSKKKRSA-N 2 2 394.567 3.780 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[N@@H+]1C ZINC000093644315 901558076 /nfs/dbraw/zinc/55/80/76/901558076.db2.gz YNIRIOBCAAIZAN-GCJKJVERSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[N@H+]1C ZINC000093644315 901558137 /nfs/dbraw/zinc/55/81/37/901558137.db2.gz YNIRIOBCAAIZAN-GCJKJVERSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[NH+]1C ZINC000093644315 901558287 /nfs/dbraw/zinc/55/82/87/901558287.db2.gz YNIRIOBCAAIZAN-GCJKJVERSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[NH+]1C ZINC000093644315 901558342 /nfs/dbraw/zinc/55/83/42/901558342.db2.gz YNIRIOBCAAIZAN-GCJKJVERSA-N 2 2 375.520 3.849 20 0 GHADLP CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000576910656 902351660 /nfs/dbraw/zinc/35/16/60/902351660.db2.gz DZNJGFXQBNVIAG-FHWLQOOXSA-N 2 2 390.572 3.538 20 0 GHADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000576910656 902351667 /nfs/dbraw/zinc/35/16/67/902351667.db2.gz DZNJGFXQBNVIAG-FHWLQOOXSA-N 2 2 390.572 3.538 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000576989508 902412448 /nfs/dbraw/zinc/41/24/48/902412448.db2.gz IBAHPDVQGDCRPM-QFIPXVFZSA-N 2 2 377.532 3.675 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000576989508 902412452 /nfs/dbraw/zinc/41/24/52/902412452.db2.gz IBAHPDVQGDCRPM-QFIPXVFZSA-N 2 2 377.532 3.675 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000128005504 902592078 /nfs/dbraw/zinc/59/20/78/902592078.db2.gz NKPMXRHNGRHJKF-AZUAARDMSA-N 2 2 399.539 3.719 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)s1 ZINC000846065756 902680267 /nfs/dbraw/zinc/68/02/67/902680267.db2.gz QNTXHRWZBPPBFT-OAQYLSRUSA-N 2 2 389.565 3.594 20 0 GHADLP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccccc1SC(F)F ZINC000047970381 902701252 /nfs/dbraw/zinc/70/12/52/902701252.db2.gz FXHOKZXMDBNZMB-UHFFFAOYSA-N 2 2 383.508 3.748 20 0 GHADLP CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001144758962 902820819 /nfs/dbraw/zinc/82/08/19/902820819.db2.gz RZZRIVYDPZMIOI-FQEVSTJZSA-N 2 2 398.551 3.574 20 0 GHADLP CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC001144758962 902820824 /nfs/dbraw/zinc/82/08/24/902820824.db2.gz RZZRIVYDPZMIOI-FQEVSTJZSA-N 2 2 398.551 3.574 20 0 GHADLP [NH3+][C@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1c(F)cccc1F ZINC000577726332 903121427 /nfs/dbraw/zinc/12/14/27/903121427.db2.gz VSXSFPDNCJBTSK-NRFANRHFSA-N 2 2 387.474 3.657 20 0 GHADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264766494 903368161 /nfs/dbraw/zinc/36/81/61/903368161.db2.gz VPTYTOIHGKUEHO-LJQANCHMSA-N 2 2 381.524 3.850 20 0 GHADLP O=C(CC[NH2+][C@@H]1CCn2cc[nH+]c2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000578187691 903598340 /nfs/dbraw/zinc/59/83/40/903598340.db2.gz QUMOLCFOCOBVCT-GOSISDBHSA-N 2 2 376.460 3.609 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000578264489 903666808 /nfs/dbraw/zinc/66/68/08/903666808.db2.gz XRGTYZFPTUDYGQ-UHFFFAOYSA-N 2 2 378.524 3.773 20 0 GHADLP CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)[C@H](C(F)(F)F)C1 ZINC000578399004 903803296 /nfs/dbraw/zinc/80/32/96/903803296.db2.gz DRPPCCPGFZTSHB-HZPDHXFCSA-N 2 2 380.414 3.720 20 0 GHADLP CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)[C@H](C(F)(F)F)C1 ZINC000578399004 903803310 /nfs/dbraw/zinc/80/33/10/903803310.db2.gz DRPPCCPGFZTSHB-HZPDHXFCSA-N 2 2 380.414 3.720 20 0 GHADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ncc(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000153148522 904336126 /nfs/dbraw/zinc/33/61/26/904336126.db2.gz UGRKUJJBVUMTTB-LPHOPBHVSA-N 2 2 388.943 3.768 20 0 GHADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ncc(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000153148522 904336137 /nfs/dbraw/zinc/33/61/37/904336137.db2.gz UGRKUJJBVUMTTB-LPHOPBHVSA-N 2 2 388.943 3.768 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171359487 904346799 /nfs/dbraw/zinc/34/67/99/904346799.db2.gz DSESMNWQKWXFPR-AJSBUHFISA-N 2 2 386.486 3.701 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171359487 904346812 /nfs/dbraw/zinc/34/68/12/904346812.db2.gz DSESMNWQKWXFPR-AJSBUHFISA-N 2 2 386.486 3.701 20 0 GHADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000579598172 904728134 /nfs/dbraw/zinc/72/81/34/904728134.db2.gz UFIBOAZZXLELJE-HXUWFJFHSA-N 2 2 392.528 3.718 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1C ZINC000646781944 914844389 /nfs/dbraw/zinc/84/43/89/914844389.db2.gz VWKPMORVEYMPHE-OAQYLSRUSA-N 2 2 395.547 3.620 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c1C ZINC000646781944 914844408 /nfs/dbraw/zinc/84/44/08/914844408.db2.gz VWKPMORVEYMPHE-OAQYLSRUSA-N 2 2 395.547 3.620 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C[C@H]21 ZINC001171618007 904884016 /nfs/dbraw/zinc/88/40/16/904884016.db2.gz UFCPFIAHGJSXSD-NCXUSEDFSA-N 2 2 379.589 3.827 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C[C@H]21 ZINC001171618007 904884032 /nfs/dbraw/zinc/88/40/32/904884032.db2.gz UFCPFIAHGJSXSD-NCXUSEDFSA-N 2 2 379.589 3.827 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C[C@H]21 ZINC001171618007 904884047 /nfs/dbraw/zinc/88/40/47/904884047.db2.gz UFCPFIAHGJSXSD-NCXUSEDFSA-N 2 2 379.589 3.827 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C[C@H]21 ZINC001171618007 904884056 /nfs/dbraw/zinc/88/40/56/904884056.db2.gz UFCPFIAHGJSXSD-NCXUSEDFSA-N 2 2 379.589 3.827 20 0 GHADLP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)CC1(C)C ZINC001171636158 904923857 /nfs/dbraw/zinc/92/38/57/904923857.db2.gz BULPAXDQTAJRGO-DEOSSOPVSA-N 2 2 398.595 3.548 20 0 GHADLP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)CC1(C)C ZINC001171636158 904923865 /nfs/dbraw/zinc/92/38/65/904923865.db2.gz BULPAXDQTAJRGO-DEOSSOPVSA-N 2 2 398.595 3.548 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171753952 904985122 /nfs/dbraw/zinc/98/51/22/904985122.db2.gz YUWQWAZIVBVSHY-GBAJDQEWSA-N 2 2 381.589 3.775 20 0 GHADLP CC1(C)C[C@H]([NH+]2CCC(NC(=O)C(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171988279 905249915 /nfs/dbraw/zinc/24/99/15/905249915.db2.gz QSJVYBRSAFKFFF-GOSISDBHSA-N 2 2 397.485 3.573 20 0 GHADLP CC1(C)C[C@H]([NH+]2CCC(NC(=O)C(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171988279 905249927 /nfs/dbraw/zinc/24/99/27/905249927.db2.gz QSJVYBRSAFKFFF-GOSISDBHSA-N 2 2 397.485 3.573 20 0 GHADLP Cc1[nH+]cn([C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C2)c1CC[NH3+] ZINC001172060398 905259598 /nfs/dbraw/zinc/25/95/98/905259598.db2.gz QBVVASZNQUUMQE-QGZVFWFLSA-N 2 2 376.545 3.968 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1c(F)c(F)cc(Br)c1F)C2 ZINC001172098409 905318899 /nfs/dbraw/zinc/31/88/99/905318899.db2.gz DIKVITSWGOIULF-RTCCRHLQSA-N 2 2 377.248 3.971 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1c(F)c(F)cc(Br)c1F)C2 ZINC001172098409 905318914 /nfs/dbraw/zinc/31/89/14/905318914.db2.gz DIKVITSWGOIULF-RTCCRHLQSA-N 2 2 377.248 3.971 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(=O)oc2cc(O)ccc12 ZINC000801586035 921168289 /nfs/dbraw/zinc/16/82/89/921168289.db2.gz YLSITSJKWFCVTA-QFIPXVFZSA-N 2 2 392.499 3.889 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(=O)oc2cc(O)ccc12 ZINC000801586035 921168303 /nfs/dbraw/zinc/16/83/03/921168303.db2.gz YLSITSJKWFCVTA-QFIPXVFZSA-N 2 2 392.499 3.889 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3Cc4ccc(Cl)cc4C3)CC2)C1 ZINC001172715510 905761936 /nfs/dbraw/zinc/76/19/36/905761936.db2.gz WCOLBNMKECLURG-LAUBAEHRSA-N 2 2 390.955 3.547 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H]3Cc4ccc(Cl)cc4C3)CC2)C1 ZINC001172715510 905761945 /nfs/dbraw/zinc/76/19/45/905761945.db2.gz WCOLBNMKECLURG-LAUBAEHRSA-N 2 2 390.955 3.547 20 0 GHADLP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)CC1 ZINC001172778674 905819517 /nfs/dbraw/zinc/81/95/17/905819517.db2.gz NGMIQAUMUVXRMU-MJGOQNOKSA-N 2 2 376.516 3.810 20 0 GHADLP Cc1ccc2c(c1)C[C@@H](N(c1cccc[nH+]1)[C@@H]1COC3(C1)CC[NH2+]CC3)CC2 ZINC001172831116 905861437 /nfs/dbraw/zinc/86/14/37/905861437.db2.gz FSTMZYMCWHGZRF-VXKWHMMOSA-N 2 2 377.532 3.665 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)Cc1ccc(F)cc1Cl)C2 ZINC001172868791 905889426 /nfs/dbraw/zinc/88/94/26/905889426.db2.gz VVTOLQYMDXWUEO-OAHLLOKOSA-N 2 2 378.923 3.963 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)Cc1ccc(F)cc1Cl)C2 ZINC001172868791 905889440 /nfs/dbraw/zinc/88/94/40/905889440.db2.gz VVTOLQYMDXWUEO-OAHLLOKOSA-N 2 2 378.923 3.963 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@H](C)Cc1ccc(F)cc1Cl)C2 ZINC001172868791 905889452 /nfs/dbraw/zinc/88/94/52/905889452.db2.gz VVTOLQYMDXWUEO-OAHLLOKOSA-N 2 2 378.923 3.963 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H](C)Cc1ccc(F)cc1Cl)C2 ZINC001172868791 905889461 /nfs/dbraw/zinc/88/94/61/905889461.db2.gz VVTOLQYMDXWUEO-OAHLLOKOSA-N 2 2 378.923 3.963 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3COC4(CCCCCC4)O3)CC2)cc1 ZINC000777314217 905979334 /nfs/dbraw/zinc/97/93/34/905979334.db2.gz PEBOKKVAGHKXMK-JOCHJYFZSA-N 2 2 387.568 3.777 20 0 GHADLP Cn1cc([C@H]2[C@H](C[N@H+](C)CCc3cccc(C(F)(F)F)c3)CCC[NH+]2C)cn1 ZINC000628242355 906026356 /nfs/dbraw/zinc/02/63/56/906026356.db2.gz BMCXTFOADWGZHH-FXAWDEMLSA-N 2 2 394.485 3.996 20 0 GHADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)CCc3cccc(C(F)(F)F)c3)CCC[NH+]2C)cn1 ZINC000628242355 906026370 /nfs/dbraw/zinc/02/63/70/906026370.db2.gz BMCXTFOADWGZHH-FXAWDEMLSA-N 2 2 394.485 3.996 20 0 GHADLP Cn1cc([C@H]2[C@H](C[NH+](C)CCc3cccc(C(F)(F)F)c3)CCC[N@@H+]2C)cn1 ZINC000628242355 906026386 /nfs/dbraw/zinc/02/63/86/906026386.db2.gz BMCXTFOADWGZHH-FXAWDEMLSA-N 2 2 394.485 3.996 20 0 GHADLP Cn1cc([C@H]2[C@H](C[NH+](C)CCc3cccc(C(F)(F)F)c3)CCC[N@H+]2C)cn1 ZINC000628242355 906026401 /nfs/dbraw/zinc/02/64/01/906026401.db2.gz BMCXTFOADWGZHH-FXAWDEMLSA-N 2 2 394.485 3.996 20 0 GHADLP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001173110282 906197372 /nfs/dbraw/zinc/19/73/72/906197372.db2.gz JGQYBYTWXZCSBT-YNIZLOQISA-N 3 2 376.614 3.692 20 0 GHADLP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001173110282 906197377 /nfs/dbraw/zinc/19/73/77/906197377.db2.gz JGQYBYTWXZCSBT-YNIZLOQISA-N 3 2 376.614 3.692 20 0 GHADLP CC[NH+](CC)C1CCC([NH+]2CC[C@@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)CC1 ZINC001173110282 906197385 /nfs/dbraw/zinc/19/73/85/906197385.db2.gz JGQYBYTWXZCSBT-YNIZLOQISA-N 3 2 376.614 3.692 20 0 GHADLP CC[NH+](CC)C1CCC([NH+]2CC[C@@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001173110282 906197395 /nfs/dbraw/zinc/19/73/95/906197395.db2.gz JGQYBYTWXZCSBT-YNIZLOQISA-N 3 2 376.614 3.692 20 0 GHADLP COc1cccc2c1C[C@H]([N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1)CO2 ZINC001173165028 906221511 /nfs/dbraw/zinc/22/15/11/906221511.db2.gz BFJCJPTYLXMZOP-FQEVSTJZSA-N 2 2 384.495 3.734 20 0 GHADLP COc1cccc2c1C[C@H]([N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1)CO2 ZINC001173165028 906221526 /nfs/dbraw/zinc/22/15/26/906221526.db2.gz BFJCJPTYLXMZOP-FQEVSTJZSA-N 2 2 384.495 3.734 20 0 GHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178176955 906305518 /nfs/dbraw/zinc/30/55/18/906305518.db2.gz JKPQWFWMEUTZGU-SFHVURJKSA-N 2 2 382.508 3.555 20 0 GHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178176955 906305534 /nfs/dbraw/zinc/30/55/34/906305534.db2.gz JKPQWFWMEUTZGU-SFHVURJKSA-N 2 2 382.508 3.555 20 0 GHADLP CC(C)[NH2+]C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000179837686 906616503 /nfs/dbraw/zinc/61/65/03/906616503.db2.gz LUEGCBHYKDJCBH-UHFFFAOYSA-N 2 2 375.520 3.897 20 0 GHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000779387228 906666797 /nfs/dbraw/zinc/66/67/97/906666797.db2.gz MCHXGSNPOJRJKU-SJLPKXTDSA-N 2 2 376.545 3.530 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)cc1 ZINC001173717206 906667756 /nfs/dbraw/zinc/66/77/56/906667756.db2.gz NRPHQVALFIENIB-CVDCTZTESA-N 2 2 380.532 3.701 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000181588685 907033141 /nfs/dbraw/zinc/03/31/41/907033141.db2.gz CEWKHPNTYNKUGT-MSOLQXFVSA-N 2 2 376.508 3.539 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000191995546 907358284 /nfs/dbraw/zinc/35/82/84/907358284.db2.gz PIVNQUUYWSHTMA-GOSISDBHSA-N 2 2 384.524 3.870 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000191995546 907358302 /nfs/dbraw/zinc/35/83/02/907358302.db2.gz PIVNQUUYWSHTMA-GOSISDBHSA-N 2 2 384.524 3.870 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000192154194 907476676 /nfs/dbraw/zinc/47/66/76/907476676.db2.gz NPOOIQJBJJALIO-QGZVFWFLSA-N 2 2 376.460 3.988 20 0 GHADLP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@H+](CCOC(=O)Cc1ccccc1)C2 ZINC001175382104 907528321 /nfs/dbraw/zinc/52/83/21/907528321.db2.gz NAENVQFUFYMYLP-PLQXJYEYSA-N 2 2 392.543 3.616 20 0 GHADLP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@@H+](CCOC(=O)Cc1ccccc1)C2 ZINC001175382104 907528327 /nfs/dbraw/zinc/52/83/27/907528327.db2.gz NAENVQFUFYMYLP-PLQXJYEYSA-N 2 2 392.543 3.616 20 0 GHADLP C[C@@]12C[NH+](CCOC(=O)Cc3ccccc3)C[C@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001175382104 907528339 /nfs/dbraw/zinc/52/83/39/907528339.db2.gz NAENVQFUFYMYLP-PLQXJYEYSA-N 2 2 392.543 3.616 20 0 GHADLP C[C@@]12C[NH+](CCOC(=O)Cc3ccccc3)C[C@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001175382104 907528347 /nfs/dbraw/zinc/52/83/47/907528347.db2.gz NAENVQFUFYMYLP-PLQXJYEYSA-N 2 2 392.543 3.616 20 0 GHADLP CC[NH+](CC)c1ccc(Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)c(C)c1 ZINC001175928905 907835968 /nfs/dbraw/zinc/83/59/68/907835968.db2.gz JVBYVVRRPQIUMN-UHFFFAOYSA-N 2 2 380.536 3.972 20 0 GHADLP CC(C)C[C@H](C(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC001176432855 908089597 /nfs/dbraw/zinc/08/95/97/908089597.db2.gz NPNRNWJYMCXYGY-FCHUYYIVSA-N 2 2 382.552 3.983 20 0 GHADLP CC(C)C[C@H](C(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC001176432855 908089613 /nfs/dbraw/zinc/08/96/13/908089613.db2.gz NPNRNWJYMCXYGY-FCHUYYIVSA-N 2 2 382.552 3.983 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC001176983751 908346358 /nfs/dbraw/zinc/34/63/58/908346358.db2.gz ADLDPNZWGGGMKB-APWZRJJASA-N 2 2 384.499 3.762 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC001176983751 908346367 /nfs/dbraw/zinc/34/63/67/908346367.db2.gz ADLDPNZWGGGMKB-APWZRJJASA-N 2 2 384.499 3.762 20 0 GHADLP Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001177266060 908506917 /nfs/dbraw/zinc/50/69/17/908506917.db2.gz ABWKBTFTQPLEPA-UHFFFAOYSA-N 2 2 383.536 3.563 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000191511610 908635745 /nfs/dbraw/zinc/63/57/45/908635745.db2.gz NPESKOIIHYYETN-UHFFFAOYSA-N 2 2 393.329 3.559 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000191511610 908635751 /nfs/dbraw/zinc/63/57/51/908635751.db2.gz NPESKOIIHYYETN-UHFFFAOYSA-N 2 2 393.329 3.559 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC001177594202 908655944 /nfs/dbraw/zinc/65/59/44/908655944.db2.gz CWWSWWDEZDBPJO-HNNXBMFYSA-N 2 2 376.526 3.671 20 0 GHADLP CC[NH+](CC)C[C@H](C)NC1CC[NH+](Cc2ccccc2Br)CC1 ZINC001177733889 908732015 /nfs/dbraw/zinc/73/20/15/908732015.db2.gz WJDSYEFUGUCUKB-INIZCTEOSA-N 2 2 382.390 3.733 20 0 GHADLP C[NH+](C)Cc1ccc(-c2noc([C@@H]([NH3+])c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000634554591 908763905 /nfs/dbraw/zinc/76/39/05/908763905.db2.gz GTMZMJIYUHRRPJ-INIZCTEOSA-N 2 2 376.382 3.865 20 0 GHADLP C[C@@H]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000266336962 909085182 /nfs/dbraw/zinc/08/51/82/909085182.db2.gz LEBNGSLVYCEMFW-HXUWFJFHSA-N 2 2 388.515 3.668 20 0 GHADLP C[C@@H]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000266336962 909085198 /nfs/dbraw/zinc/08/51/98/909085198.db2.gz LEBNGSLVYCEMFW-HXUWFJFHSA-N 2 2 388.515 3.668 20 0 GHADLP CC(C)C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)n1cc[nH+]c1 ZINC000635547293 909285023 /nfs/dbraw/zinc/28/50/23/909285023.db2.gz FLGRYYMWTBOJAD-KBRMVUAJSA-N 2 2 380.536 3.782 20 0 GHADLP CC(C)C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)n1cc[nH+]c1 ZINC000635547293 909285039 /nfs/dbraw/zinc/28/50/39/909285039.db2.gz FLGRYYMWTBOJAD-KBRMVUAJSA-N 2 2 380.536 3.782 20 0 GHADLP C[C@H]([NH2+][C@@H](c1nccn1C)c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000268758327 910002276 /nfs/dbraw/zinc/00/22/76/910002276.db2.gz KGHQZRCGBSMTNL-HTAPYJJXSA-N 2 2 396.510 3.940 20 0 GHADLP [NH3+][C@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000638050857 910039362 /nfs/dbraw/zinc/03/93/62/910039362.db2.gz STLYYBJSCXZXQH-HNNXBMFYSA-N 2 2 398.454 3.786 20 0 GHADLP COCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638331666 910120314 /nfs/dbraw/zinc/12/03/14/910120314.db2.gz JPKFZHHDMMGGTM-NZQKXSOJSA-N 2 2 393.531 3.729 20 0 GHADLP COCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638331666 910120324 /nfs/dbraw/zinc/12/03/24/910120324.db2.gz JPKFZHHDMMGGTM-NZQKXSOJSA-N 2 2 393.531 3.729 20 0 GHADLP FC(F)(F)Cn1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638762823 910227373 /nfs/dbraw/zinc/22/73/73/910227373.db2.gz KUCIKCUIWONOFA-HKUYNNGSSA-N 2 2 378.442 3.903 20 0 GHADLP FC(F)(F)Cn1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638762823 910227377 /nfs/dbraw/zinc/22/73/77/910227377.db2.gz KUCIKCUIWONOFA-HKUYNNGSSA-N 2 2 378.442 3.903 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638843915 910251427 /nfs/dbraw/zinc/25/14/27/910251427.db2.gz RDNKNIISHQZYBD-REWPJTCUSA-N 2 2 398.572 3.938 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638843915 910251442 /nfs/dbraw/zinc/25/14/42/910251442.db2.gz RDNKNIISHQZYBD-REWPJTCUSA-N 2 2 398.572 3.938 20 0 GHADLP COc1nsc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1Br ZINC000638851016 910252637 /nfs/dbraw/zinc/25/26/37/910252637.db2.gz VBTSYZMKJKYTNU-UHFFFAOYSA-N 2 2 396.354 3.800 20 0 GHADLP CN(C(=O)c1cccc2cccnc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000270021132 910408999 /nfs/dbraw/zinc/40/89/99/910408999.db2.gz DIMLKRNMGZWLFC-FGZHOGPDSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cccc2cccnc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000270021132 910409004 /nfs/dbraw/zinc/40/90/04/910409004.db2.gz DIMLKRNMGZWLFC-FGZHOGPDSA-N 2 2 394.563 3.644 20 0 GHADLP Cn1cc(CC[NH+]2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000270306844 910510770 /nfs/dbraw/zinc/51/07/70/910510770.db2.gz DEDMSNLUFLWVOT-UHFFFAOYSA-N 2 2 380.458 3.578 20 0 GHADLP Cn1cc(CC[NH+]2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000270306844 910510781 /nfs/dbraw/zinc/51/07/81/910510781.db2.gz DEDMSNLUFLWVOT-UHFFFAOYSA-N 2 2 380.458 3.578 20 0 GHADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270381084 910543714 /nfs/dbraw/zinc/54/37/14/910543714.db2.gz WAYRJNCCNCMCKY-LJQANCHMSA-N 2 2 393.535 3.940 20 0 GHADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270381084 910543727 /nfs/dbraw/zinc/54/37/27/910543727.db2.gz WAYRJNCCNCMCKY-LJQANCHMSA-N 2 2 393.535 3.940 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000641864646 911555690 /nfs/dbraw/zinc/55/56/90/911555690.db2.gz GGINHOZVEQBEFW-HXUWFJFHSA-N 2 2 377.532 3.556 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000641864646 911555701 /nfs/dbraw/zinc/55/57/01/911555701.db2.gz GGINHOZVEQBEFW-HXUWFJFHSA-N 2 2 377.532 3.556 20 0 GHADLP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC000284063460 911738416 /nfs/dbraw/zinc/73/84/16/911738416.db2.gz QAXWUIPIVVYMDX-UHFFFAOYSA-N 3 2 376.504 3.635 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC(C)(C)[NH+]3CCCCC3)n2)C1 ZINC000642438406 912075007 /nfs/dbraw/zinc/07/50/07/912075007.db2.gz FSBRNIQXOKUDFT-INIZCTEOSA-N 2 2 393.601 3.761 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC(C)(C)[NH+]3CCCCC3)n2)C1 ZINC000642438406 912075028 /nfs/dbraw/zinc/07/50/28/912075028.db2.gz FSBRNIQXOKUDFT-INIZCTEOSA-N 2 2 393.601 3.761 20 0 GHADLP CCN(C(=O)C[C@@H]1C[N@H+](C(c2ccccc2)c2ccccc2)[C@H]1C)C1C[NH+](C)C1 ZINC001186945265 914883241 /nfs/dbraw/zinc/88/32/41/914883241.db2.gz AIMVABAHUHXNOH-SIKLNZKXSA-N 2 2 391.559 3.649 20 0 GHADLP CCN(C(=O)C[C@@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@H]1C)C1C[NH+](C)C1 ZINC001186945265 914883253 /nfs/dbraw/zinc/88/32/53/914883253.db2.gz AIMVABAHUHXNOH-SIKLNZKXSA-N 2 2 391.559 3.649 20 0 GHADLP C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)CC[C@@H]21 ZINC000291494067 915213702 /nfs/dbraw/zinc/21/37/02/915213702.db2.gz MUJCXZYHNRWVME-RXVVDRJESA-N 2 2 393.535 3.834 20 0 GHADLP C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)CC[C@@H]21 ZINC000291494067 915213719 /nfs/dbraw/zinc/21/37/19/915213719.db2.gz MUJCXZYHNRWVME-RXVVDRJESA-N 2 2 393.535 3.834 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Cl)c1Cl ZINC000648310697 915610549 /nfs/dbraw/zinc/61/05/49/915610549.db2.gz BIWSLCPZUCDKCX-HNNXBMFYSA-N 2 2 384.351 3.542 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Cl)c1Cl ZINC000648310697 915610552 /nfs/dbraw/zinc/61/05/52/915610552.db2.gz BIWSLCPZUCDKCX-HNNXBMFYSA-N 2 2 384.351 3.542 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000648837148 915901806 /nfs/dbraw/zinc/90/18/06/915901806.db2.gz DEWAGFAHHGMJDC-ICSRJNTNSA-N 2 2 379.508 3.768 20 0 GHADLP CC[N@H+](CCCC1CC[NH2+]CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000649413683 916145317 /nfs/dbraw/zinc/14/53/17/916145317.db2.gz ZFGMRQFHNJAWJH-UHFFFAOYSA-N 3 2 387.616 3.979 20 0 GHADLP CC[N@@H+](CCCC1CC[NH2+]CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000649413683 916145329 /nfs/dbraw/zinc/14/53/29/916145329.db2.gz ZFGMRQFHNJAWJH-UHFFFAOYSA-N 3 2 387.616 3.979 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CCC[NH+]4CCCC[C@H]34)n2)C1 ZINC000653925751 918594217 /nfs/dbraw/zinc/59/42/17/918594217.db2.gz YFHBBCAXSVIMIF-BPQIPLTHSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CCC[NH+]4CCCC[C@H]34)n2)C1 ZINC000653925751 918594229 /nfs/dbraw/zinc/59/42/29/918594229.db2.gz YFHBBCAXSVIMIF-BPQIPLTHSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)n2)C1 ZINC000653925751 918594234 /nfs/dbraw/zinc/59/42/34/918594234.db2.gz YFHBBCAXSVIMIF-BPQIPLTHSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)n2)C1 ZINC000653925751 918594240 /nfs/dbraw/zinc/59/42/40/918594240.db2.gz YFHBBCAXSVIMIF-BPQIPLTHSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc2ccccc21 ZINC000364280036 919297138 /nfs/dbraw/zinc/29/71/38/919297138.db2.gz GYNVAWDWUGYWNH-WIYYLYMNSA-N 2 2 394.563 3.711 20 0 GHADLP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc2ccccc21 ZINC000364280036 919297150 /nfs/dbraw/zinc/29/71/50/919297150.db2.gz GYNVAWDWUGYWNH-WIYYLYMNSA-N 2 2 394.563 3.711 20 0 GHADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccncc2OC[C@H]2CCOC2)CC1 ZINC000367579734 922212118 /nfs/dbraw/zinc/21/21/18/922212118.db2.gz HMGKJHFUAJZRIJ-XQBPLPMBSA-N 2 2 387.568 3.630 20 0 GHADLP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc(Br)s1 ZINC000902500178 922241934 /nfs/dbraw/zinc/24/19/34/922241934.db2.gz CQMNMIVIFIQNOZ-BNLOLNQZSA-N 2 2 394.338 3.812 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903128313 922795647 /nfs/dbraw/zinc/79/56/47/922795647.db2.gz VYLDWYCEQDRMON-IAGOWNOFSA-N 2 2 388.556 3.642 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903426327 923018952 /nfs/dbraw/zinc/01/89/52/923018952.db2.gz WYQWKRKMKOAERS-MRXNPFEDSA-N 2 2 396.516 3.627 20 0 GHADLP CC[NH+](CC)CCOc1cccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000903455826 923036545 /nfs/dbraw/zinc/03/65/45/923036545.db2.gz BSBJOPQSOOJWSK-KRWDZBQOSA-N 2 2 385.512 3.542 20 0 GHADLP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000903956140 923435529 /nfs/dbraw/zinc/43/55/29/923435529.db2.gz HUFOXNNYYFCCJW-INIZCTEOSA-N 2 2 381.854 3.648 20 0 GHADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000748993415 923977511 /nfs/dbraw/zinc/97/75/11/923977511.db2.gz CTQIINLSZREAAE-SFTDATJTSA-N 2 2 376.903 3.957 20 0 GHADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000748993415 923977521 /nfs/dbraw/zinc/97/75/21/923977521.db2.gz CTQIINLSZREAAE-SFTDATJTSA-N 2 2 376.903 3.957 20 0 GHADLP CCO[C@H](C)c1noc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000370651059 924231391 /nfs/dbraw/zinc/23/13/91/924231391.db2.gz ORWXTTLWTAUVQF-GOSISDBHSA-N 2 2 384.524 3.655 20 0 GHADLP CCO[C@H](C)c1noc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000370651059 924231399 /nfs/dbraw/zinc/23/13/99/924231399.db2.gz ORWXTTLWTAUVQF-GOSISDBHSA-N 2 2 384.524 3.655 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000409529205 924732129 /nfs/dbraw/zinc/73/21/29/924732129.db2.gz SNFSOVKMVPAESX-UYAOXDASSA-N 2 2 389.927 3.879 20 0 GHADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000678767450 924915104 /nfs/dbraw/zinc/91/51/04/924915104.db2.gz KEVIXHBWJJPAMA-DVECYGJZSA-N 2 2 380.532 3.811 20 0 GHADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCC2 ZINC000678925324 924975463 /nfs/dbraw/zinc/97/54/63/924975463.db2.gz XTOBGEABNCQQFY-QFIPXVFZSA-N 2 2 384.495 3.704 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc2c(s1)CCCC2 ZINC000678992073 924992588 /nfs/dbraw/zinc/99/25/88/924992588.db2.gz BBLXLPMZMMQISN-UHFFFAOYSA-N 3 2 390.641 3.650 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc2c(s1)CCCC2 ZINC000678992073 924992591 /nfs/dbraw/zinc/99/25/91/924992591.db2.gz BBLXLPMZMMQISN-UHFFFAOYSA-N 3 2 390.641 3.650 20 0 GHADLP O[C@H]([C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000679042958 925007935 /nfs/dbraw/zinc/00/79/35/925007935.db2.gz IXBXHLFJDHLVDY-VQTJNVASSA-N 2 2 384.486 3.908 20 0 GHADLP CC(C)CC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000681216846 925765194 /nfs/dbraw/zinc/76/51/94/925765194.db2.gz ADEKTATUCLKTHK-PMACEKPBSA-N 2 2 380.621 3.647 20 0 GHADLP CC(C)CC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000681216846 925765197 /nfs/dbraw/zinc/76/51/97/925765197.db2.gz ADEKTATUCLKTHK-PMACEKPBSA-N 2 2 380.621 3.647 20 0 GHADLP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000681662370 925870489 /nfs/dbraw/zinc/87/04/89/925870489.db2.gz NMWBJLBJBNELHO-SFHVURJKSA-N 2 2 378.582 3.739 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3OC)no2)[C@H](C)C1 ZINC000682535773 926156418 /nfs/dbraw/zinc/15/64/18/926156418.db2.gz IOYODQKGRNKGCV-YLJYHZDGSA-N 2 2 387.524 3.577 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3OC)no2)[C@H](C)C1 ZINC000682535773 926156422 /nfs/dbraw/zinc/15/64/22/926156422.db2.gz IOYODQKGRNKGCV-YLJYHZDGSA-N 2 2 387.524 3.577 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000683003429 926324001 /nfs/dbraw/zinc/32/40/01/926324001.db2.gz AXQKSZQQXMVODV-UHFFFAOYSA-N 2 2 380.536 3.842 20 0 GHADLP O=C(CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1)N[C@H]1CCCc2ccccc21 ZINC000411506080 926459209 /nfs/dbraw/zinc/45/92/09/926459209.db2.gz PNDIHOQQBOHWEI-QHCPKHFHSA-N 2 2 394.563 3.959 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000726238771 926604728 /nfs/dbraw/zinc/60/47/28/926604728.db2.gz IGEZSGVPLXDALS-UHFFFAOYSA-N 2 2 395.551 3.716 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCN(C(=O)c3ccccc3Cl)CC1)CCC2 ZINC000374577303 927303803 /nfs/dbraw/zinc/30/38/03/927303803.db2.gz RFCMKKMJJOFIAD-MRXNPFEDSA-N 2 2 386.927 3.617 20 0 GHADLP O=C1N(CCn2cc[nH+]c2)CC[C@]12CCC[N@H+](Cc1csc(Cl)c1)CC2 ZINC001276205875 927344465 /nfs/dbraw/zinc/34/44/65/927344465.db2.gz UGZUWQPGNUEGBE-LJQANCHMSA-N 2 2 392.956 3.503 20 0 GHADLP Cc1ccc(NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c(N(C)C)[nH+]1 ZINC000750399143 927601542 /nfs/dbraw/zinc/60/15/42/927601542.db2.gz PUVISXQOYVBCGX-QGZVFWFLSA-N 2 2 375.904 3.534 20 0 GHADLP Cc1ccc(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc12 ZINC000413203944 928318517 /nfs/dbraw/zinc/31/85/17/928318517.db2.gz NCUMJOFUFGTCHD-UHFFFAOYSA-N 2 2 394.563 3.506 20 0 GHADLP C[C@H]1CCc2c(sc3nc(CC[NH+]4CCC(c5[nH]cc[nH+]5)CC4)nc(N)c32)C1 ZINC000467126501 928730098 /nfs/dbraw/zinc/73/00/98/928730098.db2.gz DMSJPJLPNLMHKH-ZDUSSCGKSA-N 2 2 396.564 3.544 20 0 GHADLP Brc1cccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CCOCC2)c1 ZINC000467423554 929056012 /nfs/dbraw/zinc/05/60/12/929056012.db2.gz NEBJHWCEGVYKNH-PKOBYXMFSA-N 2 2 390.325 3.718 20 0 GHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC[C@H](C)[NH+]3CCCCC3)c2C1 ZINC000546157807 929915657 /nfs/dbraw/zinc/91/56/57/929915657.db2.gz VPDKNLWMFYGRSH-SFHVURJKSA-N 2 2 394.563 3.607 20 0 GHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC[C@H](C)[NH+]3CCCCC3)c2C1 ZINC000546157807 929915658 /nfs/dbraw/zinc/91/56/58/929915658.db2.gz VPDKNLWMFYGRSH-SFHVURJKSA-N 2 2 394.563 3.607 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CCC2 ZINC000546268350 930006786 /nfs/dbraw/zinc/00/67/86/930006786.db2.gz WTGMKHSYFXPKRM-VLCRHTCISA-N 2 2 382.552 3.550 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CCC2 ZINC000546268350 930006788 /nfs/dbraw/zinc/00/67/88/930006788.db2.gz WTGMKHSYFXPKRM-VLCRHTCISA-N 2 2 382.552 3.550 20 0 GHADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(Br)c3OC(F)F)C[C@@H]21 ZINC000469892453 930239253 /nfs/dbraw/zinc/23/92/53/930239253.db2.gz ZFQXTFYCHDNJJC-VHRBIJSZSA-N 2 2 375.257 3.610 20 0 GHADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(Br)c3OC(F)F)C[C@@H]21 ZINC000469892453 930239261 /nfs/dbraw/zinc/23/92/61/930239261.db2.gz ZFQXTFYCHDNJJC-VHRBIJSZSA-N 2 2 375.257 3.610 20 0 GHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000777497599 931244471 /nfs/dbraw/zinc/24/44/71/931244471.db2.gz XNRYMSIKPIUTJM-ZWKOTPCHSA-N 2 2 381.923 3.603 20 0 GHADLP CC(C)[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000777497599 931244478 /nfs/dbraw/zinc/24/44/78/931244478.db2.gz XNRYMSIKPIUTJM-ZWKOTPCHSA-N 2 2 381.923 3.603 20 0 GHADLP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000924940158 931591494 /nfs/dbraw/zinc/59/14/94/931591494.db2.gz ATAPLOXRURLJEN-AVRDEDQJSA-N 2 2 388.515 3.745 20 0 GHADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)C1 ZINC000783972106 931735769 /nfs/dbraw/zinc/73/57/69/931735769.db2.gz BRSYZUBIDMTJCB-LBPRGKRZSA-N 2 2 381.307 3.525 20 0 GHADLP CCC[C@@H](Cc1ccccc1)[N@H+](CCC)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783979185 931738805 /nfs/dbraw/zinc/73/88/05/931738805.db2.gz PRAAORAPRAIECC-RTWAWAEBSA-N 2 2 382.552 3.817 20 0 GHADLP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783979185 931738808 /nfs/dbraw/zinc/73/88/08/931738808.db2.gz PRAAORAPRAIECC-RTWAWAEBSA-N 2 2 382.552 3.817 20 0 GHADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000925557864 931822143 /nfs/dbraw/zinc/82/21/43/931822143.db2.gz QBPGSJMMLDEIDY-WNMCAHLPSA-N 3 2 397.607 3.540 20 0 GHADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000925557864 931822145 /nfs/dbraw/zinc/82/21/45/931822145.db2.gz QBPGSJMMLDEIDY-WNMCAHLPSA-N 3 2 397.607 3.540 20 0 GHADLP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000925590672 931833732 /nfs/dbraw/zinc/83/37/32/931833732.db2.gz KDFDXUFYXMVGKR-DGGJZMOXSA-N 2 2 398.526 3.602 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccc1-n1ccnn1 ZINC000796786629 932067314 /nfs/dbraw/zinc/06/73/14/932067314.db2.gz MIKJQGUSDLAJFV-GOSISDBHSA-N 2 2 390.535 3.653 20 0 GHADLP CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)s1 ZINC000558848273 932271616 /nfs/dbraw/zinc/27/16/16/932271616.db2.gz XGAHIAMTKCYJHJ-UHFFFAOYSA-N 2 2 397.588 3.864 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000798273347 932586812 /nfs/dbraw/zinc/58/68/12/932586812.db2.gz WIPQZSGHOFHMPJ-OAHLLOKOSA-N 2 2 393.494 3.640 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)(C)C ZINC000798507878 932680396 /nfs/dbraw/zinc/68/03/96/932680396.db2.gz OSPAYPRRJUEODB-MRXNPFEDSA-N 2 2 378.542 3.963 20 0 GHADLP CC1([NH+]2CCCC2)CCC(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000928010224 932762181 /nfs/dbraw/zinc/76/21/81/932762181.db2.gz WENVYPUCBNCGIG-KQVJYAISSA-N 2 2 380.536 3.845 20 0 GHADLP O=C(OCc1ccccc1)N1CCC(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000799139742 932886062 /nfs/dbraw/zinc/88/60/62/932886062.db2.gz KVMBTRAQMSEBHN-HXUWFJFHSA-N 2 2 382.508 3.638 20 0 GHADLP O=C(OCc1ccccc1)N1CCC(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000799139742 932886064 /nfs/dbraw/zinc/88/60/64/932886064.db2.gz KVMBTRAQMSEBHN-HXUWFJFHSA-N 2 2 382.508 3.638 20 0 GHADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000560517049 933305115 /nfs/dbraw/zinc/30/51/15/933305115.db2.gz WVWBYTHZCWLATG-YPAWHYETSA-N 2 2 392.547 3.833 20 0 GHADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000560517049 933305127 /nfs/dbraw/zinc/30/51/27/933305127.db2.gz WVWBYTHZCWLATG-YPAWHYETSA-N 2 2 392.547 3.833 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC001118816870 934256077 /nfs/dbraw/zinc/25/60/77/934256077.db2.gz UFBPRWXXHXAWIJ-GFCCVEGCSA-N 2 2 384.268 3.916 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC001118816870 934256086 /nfs/dbraw/zinc/25/60/86/934256086.db2.gz UFBPRWXXHXAWIJ-GFCCVEGCSA-N 2 2 384.268 3.916 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ncc(Br)cc1F ZINC000187005953 1014588613 /nfs/dbraw/zinc/58/86/13/1014588613.db2.gz FKYBKIMERVHZOH-LBPRGKRZSA-N 2 2 379.277 3.698 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000468383933 1015651094 /nfs/dbraw/zinc/65/10/94/1015651094.db2.gz KZBFETKGAAWEET-OPYAIIAOSA-N 2 2 397.588 3.837 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000468383933 1015651100 /nfs/dbraw/zinc/65/11/00/1015651100.db2.gz KZBFETKGAAWEET-OPYAIIAOSA-N 2 2 397.588 3.837 20 0 GHADLP COc1cccc2c1[nH+]cc(C)c2N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000468723308 1015956842 /nfs/dbraw/zinc/95/68/42/1015956842.db2.gz JMVLYHPPMCPCFD-UHFFFAOYSA-N 2 2 397.441 3.643 20 0 GHADLP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000925177688 1017044322 /nfs/dbraw/zinc/04/43/22/1017044322.db2.gz DLYOCFDEFAGCEH-VZPUWSDOSA-N 2 2 394.494 3.699 20 0 GHADLP COc1ccc2c(c1)[nH+]c(NC[C@@H]1OC[C@H]3C[NH2+]CC[C@H]31)cc2-c1ccccc1 ZINC001155525611 1032570432 /nfs/dbraw/zinc/57/04/32/1032570432.db2.gz NPKUOKGMDUYDMK-BOCKYXSRSA-N 2 2 389.499 3.947 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001204158126 1032609932 /nfs/dbraw/zinc/60/99/32/1032609932.db2.gz JWLVJLSPJOSSKL-KRWDZBQOSA-N 2 2 398.469 3.945 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001204158126 1032609935 /nfs/dbraw/zinc/60/99/35/1032609935.db2.gz JWLVJLSPJOSSKL-KRWDZBQOSA-N 2 2 398.469 3.945 20 0 GHADLP Cc1ccc(C[NH+]2CCC([NH+]3CCC(NC(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC001204174860 1032625353 /nfs/dbraw/zinc/62/53/53/1032625353.db2.gz FTKYEMNJQRFNPP-UHFFFAOYSA-N 2 2 387.568 3.949 20 0 GHADLP CCc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001204179145 1032630137 /nfs/dbraw/zinc/63/01/37/1032630137.db2.gz KZAVLOWTDVRPAM-FQEVSTJZSA-N 2 2 387.568 3.812 20 0 GHADLP CCc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001204179145 1032630140 /nfs/dbraw/zinc/63/01/40/1032630140.db2.gz KZAVLOWTDVRPAM-FQEVSTJZSA-N 2 2 387.568 3.812 20 0 GHADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1c(C)nn(Cc2ccc(OC)cc2)c1C ZINC000561980467 1017997063 /nfs/dbraw/zinc/99/70/63/1017997063.db2.gz FRWRWPLXUYNPJH-UHFFFAOYSA-N 2 2 384.568 3.865 20 0 GHADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1c(C)nn(Cc2ccc(OC)cc2)c1C ZINC000561980467 1017997071 /nfs/dbraw/zinc/99/70/71/1017997071.db2.gz FRWRWPLXUYNPJH-UHFFFAOYSA-N 2 2 384.568 3.865 20 0 GHADLP C[NH+](C)C[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000562854432 1018711518 /nfs/dbraw/zinc/71/15/18/1018711518.db2.gz RJFRMVXEXLLNEY-FQEVSTJZSA-N 2 2 396.922 3.660 20 0 GHADLP Cc1[nH+]ccn1CCCCOC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000778801474 1019709376 /nfs/dbraw/zinc/70/93/76/1019709376.db2.gz XLCZHKQEPDUABF-LJQANCHMSA-N 2 2 383.536 3.858 20 0 GHADLP FC(F)(F)Oc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001204429153 1032861214 /nfs/dbraw/zinc/86/12/14/1032861214.db2.gz BNAIZFAAZPDBTO-HDICACEKSA-N 2 2 377.410 3.544 20 0 GHADLP FC(F)(F)Oc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001204429153 1032861229 /nfs/dbraw/zinc/86/12/29/1032861229.db2.gz BNAIZFAAZPDBTO-HDICACEKSA-N 2 2 377.410 3.544 20 0 GHADLP FC(F)(F)Oc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001204429153 1032861247 /nfs/dbraw/zinc/86/12/47/1032861247.db2.gz BNAIZFAAZPDBTO-HDICACEKSA-N 2 2 377.410 3.544 20 0 GHADLP FC(F)(F)Oc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001204429153 1032861257 /nfs/dbraw/zinc/86/12/57/1032861257.db2.gz BNAIZFAAZPDBTO-HDICACEKSA-N 2 2 377.410 3.544 20 0 GHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000575789807 1019947290 /nfs/dbraw/zinc/94/72/90/1019947290.db2.gz CAKZKEQQYIWYHY-UHFFFAOYSA-N 2 2 394.563 3.779 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1Cc2c(cccc2Cl)C1=O ZINC000795431328 1021060635 /nfs/dbraw/zinc/06/06/35/1021060635.db2.gz FTVTZYYQQZALLD-UHFFFAOYSA-N 2 2 398.938 3.887 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1Cc2c(cccc2Cl)C1=O ZINC000795431328 1021060640 /nfs/dbraw/zinc/06/06/40/1021060640.db2.gz FTVTZYYQQZALLD-UHFFFAOYSA-N 2 2 398.938 3.887 20 0 GHADLP COc1ccc2c(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)cn(C(=O)OC(C)(C)C)c2c1 ZINC001140369862 1021511616 /nfs/dbraw/zinc/51/16/16/1021511616.db2.gz SSMUGVGXCYBARZ-QHCPKHFHSA-N 2 2 399.535 3.961 20 0 GHADLP COc1ccc2c(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)cn(C(=O)OC(C)(C)C)c2c1 ZINC001140369862 1021511627 /nfs/dbraw/zinc/51/16/27/1021511627.db2.gz SSMUGVGXCYBARZ-QHCPKHFHSA-N 2 2 399.535 3.961 20 0 GHADLP COc1ccc2c(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)cn(C(=O)OC(C)(C)C)c2c1 ZINC001140369862 1021511639 /nfs/dbraw/zinc/51/16/39/1021511639.db2.gz SSMUGVGXCYBARZ-QHCPKHFHSA-N 2 2 399.535 3.961 20 0 GHADLP COc1ccc2c(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)cn(C(=O)OC(C)(C)C)c2c1 ZINC001140369862 1021511651 /nfs/dbraw/zinc/51/16/51/1021511651.db2.gz SSMUGVGXCYBARZ-QHCPKHFHSA-N 2 2 399.535 3.961 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3cnc4cc(Cl)c(Cl)cc4n3)C2)CC1 ZINC000679846341 1022054285 /nfs/dbraw/zinc/05/42/85/1022054285.db2.gz XNBKCTRZNIYAGO-LBPRGKRZSA-N 2 2 380.323 3.517 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3cnc4cc(Cl)c(Cl)cc4n3)C2)CC1 ZINC000679846341 1022054293 /nfs/dbraw/zinc/05/42/93/1022054293.db2.gz XNBKCTRZNIYAGO-LBPRGKRZSA-N 2 2 380.323 3.517 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2cccc4ccncc42)CC3)n1 ZINC001140645467 1022146525 /nfs/dbraw/zinc/14/65/25/1022146525.db2.gz VZOMBNDOVWTMLB-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2cccc4ccncc42)CC3)n1 ZINC001140645467 1022146531 /nfs/dbraw/zinc/14/65/31/1022146531.db2.gz VZOMBNDOVWTMLB-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP COC(=O)Cc1ccccc1C[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001140653785 1022168859 /nfs/dbraw/zinc/16/88/59/1022168859.db2.gz FCGBYGQPHIJJNX-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP COC(=O)Cc1ccccc1C[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001140653785 1022168873 /nfs/dbraw/zinc/16/88/73/1022168873.db2.gz FCGBYGQPHIJJNX-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140801356 1022570048 /nfs/dbraw/zinc/57/00/48/1022570048.db2.gz KRRKRVGENIMHPH-GOSISDBHSA-N 3 2 396.560 3.880 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140801356 1022570061 /nfs/dbraw/zinc/57/00/61/1022570061.db2.gz KRRKRVGENIMHPH-GOSISDBHSA-N 3 2 396.560 3.880 20 0 GHADLP O=C1OC[C@@H](c2ccccc2)N1C1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140802450 1022572015 /nfs/dbraw/zinc/57/20/15/1022572015.db2.gz VYUONYRPCNKILX-NRFANRHFSA-N 2 2 376.460 3.721 20 0 GHADLP FC(F)(F)c1cccnc1N1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140807126 1022580939 /nfs/dbraw/zinc/58/09/39/1022580939.db2.gz NDPMBLPBKISWML-UHFFFAOYSA-N 2 2 375.398 3.689 20 0 GHADLP FC(F)(F)c1cccnc1N1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140807126 1022580948 /nfs/dbraw/zinc/58/09/48/1022580948.db2.gz NDPMBLPBKISWML-UHFFFAOYSA-N 2 2 375.398 3.689 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3nc(Cc4ccccc4F)oc3=S)C2)CC1 ZINC000755773807 1023371439 /nfs/dbraw/zinc/37/14/39/1023371439.db2.gz AORQAUZKANMVIH-QGZVFWFLSA-N 2 2 390.528 3.557 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3nc(Cc4ccccc4F)oc3=S)C2)CC1 ZINC000755773807 1023371447 /nfs/dbraw/zinc/37/14/47/1023371447.db2.gz AORQAUZKANMVIH-QGZVFWFLSA-N 2 2 390.528 3.557 20 0 GHADLP Cc1cc2nn(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c(=S)n2c2ccccc12 ZINC000755780571 1023373573 /nfs/dbraw/zinc/37/35/73/1023373573.db2.gz ZJVZHVFPJZVDAE-SFHVURJKSA-N 2 2 395.576 3.948 20 0 GHADLP Cc1cc2nn(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c(=S)n2c2ccccc12 ZINC000755780571 1023373582 /nfs/dbraw/zinc/37/35/82/1023373582.db2.gz ZJVZHVFPJZVDAE-SFHVURJKSA-N 2 2 395.576 3.948 20 0 GHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000756012847 1023477954 /nfs/dbraw/zinc/47/79/54/1023477954.db2.gz NPQRDTBBGSUYIH-KRWDZBQOSA-N 2 2 393.322 3.975 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc4c3cnn4[C@@H]3CCCCO3)cc2)C1 ZINC001204896770 1033151803 /nfs/dbraw/zinc/15/18/03/1033151803.db2.gz FRNZJXUIRPBXJK-XXBNENTESA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc4c3cnn4[C@@H]3CCCCO3)cc2)C1 ZINC001204896770 1033151811 /nfs/dbraw/zinc/15/18/11/1033151811.db2.gz FRNZJXUIRPBXJK-XXBNENTESA-N 2 2 376.504 3.935 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(O)c4ccccc34)CC2)CC1 ZINC001138056459 1023960604 /nfs/dbraw/zinc/96/06/04/1023960604.db2.gz QSUNHQKWSQGJBI-UHFFFAOYSA-N 2 2 396.531 3.785 20 0 GHADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)ccc1Cl ZINC001141234258 1024230729 /nfs/dbraw/zinc/23/07/29/1024230729.db2.gz SJASWHVRCQPVSU-URVUXULASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)ccc1Cl ZINC001141234258 1024230746 /nfs/dbraw/zinc/23/07/46/1024230746.db2.gz SJASWHVRCQPVSU-URVUXULASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1Cl ZINC001141234258 1024230762 /nfs/dbraw/zinc/23/07/62/1024230762.db2.gz SJASWHVRCQPVSU-URVUXULASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1Cl ZINC001141234258 1024230777 /nfs/dbraw/zinc/23/07/77/1024230777.db2.gz SJASWHVRCQPVSU-URVUXULASA-N 2 2 399.970 3.615 20 0 GHADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001141244731 1024254110 /nfs/dbraw/zinc/25/41/10/1024254110.db2.gz SYSPUGCOBRBPLP-LJQANCHMSA-N 2 2 384.524 3.951 20 0 GHADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001141244731 1024254128 /nfs/dbraw/zinc/25/41/28/1024254128.db2.gz SYSPUGCOBRBPLP-LJQANCHMSA-N 2 2 384.524 3.951 20 0 GHADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2OCc2ccccc2)C1 ZINC001205009111 1033206016 /nfs/dbraw/zinc/20/60/16/1033206016.db2.gz HNAOQQJPNPHLKS-LJQANCHMSA-N 2 2 384.520 3.714 20 0 GHADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2OCc2ccccc2)C1 ZINC001205009111 1033206027 /nfs/dbraw/zinc/20/60/27/1033206027.db2.gz HNAOQQJPNPHLKS-LJQANCHMSA-N 2 2 384.520 3.714 20 0 GHADLP COc1cccc(F)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138385058 1024755955 /nfs/dbraw/zinc/75/59/55/1024755955.db2.gz ZNPBWIGVXMSDMD-LRXVAGHRSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(F)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138385058 1024755968 /nfs/dbraw/zinc/75/59/68/1024755968.db2.gz ZNPBWIGVXMSDMD-LRXVAGHRSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(F)c1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138385058 1024755977 /nfs/dbraw/zinc/75/59/77/1024755977.db2.gz ZNPBWIGVXMSDMD-LRXVAGHRSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(F)c1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138385058 1024755989 /nfs/dbraw/zinc/75/59/89/1024755989.db2.gz ZNPBWIGVXMSDMD-LRXVAGHRSA-N 2 2 383.511 3.962 20 0 GHADLP Fc1ccc(Cl)c(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001138673318 1025197003 /nfs/dbraw/zinc/19/70/03/1025197003.db2.gz ZYBJHVPMVOKJFL-UHFFFAOYSA-N 2 2 376.907 3.720 20 0 GHADLP Fc1ccc(Cl)c(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001138673318 1025197005 /nfs/dbraw/zinc/19/70/05/1025197005.db2.gz ZYBJHVPMVOKJFL-UHFFFAOYSA-N 2 2 376.907 3.720 20 0 GHADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C(F)(F)F)cn4)C[C@@H]3C2)cc1 ZINC001139012634 1025765253 /nfs/dbraw/zinc/76/52/53/1025765253.db2.gz CDLOOZBBNVBJEZ-ROUUACIJSA-N 2 2 375.438 3.973 20 0 GHADLP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001141601327 1025825214 /nfs/dbraw/zinc/82/52/14/1025825214.db2.gz KYCYDIJQHYAMHN-APWZRJJASA-N 2 2 395.950 3.853 20 0 GHADLP CC(C)[N@H+]1CCC[C@@H](C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001141601327 1025825231 /nfs/dbraw/zinc/82/52/31/1025825231.db2.gz KYCYDIJQHYAMHN-APWZRJJASA-N 2 2 395.950 3.853 20 0 GHADLP CC(C)(C)[C@H](C[NH+]1CCOCC1)Nc1[nH+]c(N2CCCC2)cc2ccccc21 ZINC001162879284 1025950289 /nfs/dbraw/zinc/95/02/89/1025950289.db2.gz CWRUCWWCWXMTOG-FQEVSTJZSA-N 2 2 382.552 3.994 20 0 GHADLP CCOC(=O)COc1ccccc1C[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001139138084 1025952289 /nfs/dbraw/zinc/95/22/89/1025952289.db2.gz OJAPZKXRSZKBDB-UHFFFAOYSA-N 2 2 388.552 3.857 20 0 GHADLP CCOC(=O)COc1ccccc1C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001139138084 1025952297 /nfs/dbraw/zinc/95/22/97/1025952297.db2.gz OJAPZKXRSZKBDB-UHFFFAOYSA-N 2 2 388.552 3.857 20 0 GHADLP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839634435 1026139425 /nfs/dbraw/zinc/13/94/25/1026139425.db2.gz AFXLYCKAMODJBH-SLFFLAALSA-N 2 2 391.531 3.603 20 0 GHADLP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839634435 1026139432 /nfs/dbraw/zinc/13/94/32/1026139432.db2.gz AFXLYCKAMODJBH-SLFFLAALSA-N 2 2 391.531 3.603 20 0 GHADLP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839634435 1026139443 /nfs/dbraw/zinc/13/94/43/1026139443.db2.gz AFXLYCKAMODJBH-SLFFLAALSA-N 2 2 391.531 3.603 20 0 GHADLP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839634435 1026139449 /nfs/dbraw/zinc/13/94/49/1026139449.db2.gz AFXLYCKAMODJBH-SLFFLAALSA-N 2 2 391.531 3.603 20 0 GHADLP COc1ccc2c(c1)c(C[N@H+](C)CCC[NH+](C)C)cn2C(=O)OC(C)(C)C ZINC001139295387 1026147210 /nfs/dbraw/zinc/14/72/10/1026147210.db2.gz WPNDENIBFRAZFO-UHFFFAOYSA-N 2 2 375.513 3.817 20 0 GHADLP COc1ccc2c(c1)c(C[N@@H+](C)CCC[NH+](C)C)cn2C(=O)OC(C)(C)C ZINC001139295387 1026147218 /nfs/dbraw/zinc/14/72/18/1026147218.db2.gz WPNDENIBFRAZFO-UHFFFAOYSA-N 2 2 375.513 3.817 20 0 GHADLP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839661923 1026180238 /nfs/dbraw/zinc/18/02/38/1026180238.db2.gz APXSLRHUSISBOE-XKGZKEIXSA-N 2 2 391.531 3.603 20 0 GHADLP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839661923 1026180246 /nfs/dbraw/zinc/18/02/46/1026180246.db2.gz APXSLRHUSISBOE-XKGZKEIXSA-N 2 2 391.531 3.603 20 0 GHADLP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839661923 1026180251 /nfs/dbraw/zinc/18/02/51/1026180251.db2.gz APXSLRHUSISBOE-XKGZKEIXSA-N 2 2 391.531 3.603 20 0 GHADLP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839661923 1026180256 /nfs/dbraw/zinc/18/02/56/1026180256.db2.gz APXSLRHUSISBOE-XKGZKEIXSA-N 2 2 391.531 3.603 20 0 GHADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839661919 1026181074 /nfs/dbraw/zinc/18/10/74/1026181074.db2.gz APXSLRHUSISBOE-IMFGXOCKSA-N 2 2 391.531 3.603 20 0 GHADLP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839661919 1026181081 /nfs/dbraw/zinc/18/10/81/1026181081.db2.gz APXSLRHUSISBOE-IMFGXOCKSA-N 2 2 391.531 3.603 20 0 GHADLP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839661919 1026181084 /nfs/dbraw/zinc/18/10/84/1026181084.db2.gz APXSLRHUSISBOE-IMFGXOCKSA-N 2 2 391.531 3.603 20 0 GHADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839661919 1026181091 /nfs/dbraw/zinc/18/10/91/1026181091.db2.gz APXSLRHUSISBOE-IMFGXOCKSA-N 2 2 391.531 3.603 20 0 GHADLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1ccc(C(F)(F)F)cc1 ZINC001139323020 1026182858 /nfs/dbraw/zinc/18/28/58/1026182858.db2.gz CJEUGTSHJGPFSB-UHFFFAOYSA-N 2 2 384.471 3.546 20 0 GHADLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1ccc(C(F)(F)F)cc1 ZINC001139323020 1026182862 /nfs/dbraw/zinc/18/28/62/1026182862.db2.gz CJEUGTSHJGPFSB-UHFFFAOYSA-N 2 2 384.471 3.546 20 0 GHADLP CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139355750 1026228018 /nfs/dbraw/zinc/22/80/18/1026228018.db2.gz AGVIIEDHTMLSJX-XMSQKQJNSA-N 2 2 382.508 3.752 20 0 GHADLP CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139355750 1026228025 /nfs/dbraw/zinc/22/80/25/1026228025.db2.gz AGVIIEDHTMLSJX-XMSQKQJNSA-N 2 2 382.508 3.752 20 0 GHADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)c1C ZINC001164486492 1026527634 /nfs/dbraw/zinc/52/76/34/1026527634.db2.gz OSXGXJXTFWWVIE-PCCBWWKXSA-N 2 2 388.519 3.602 20 0 GHADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)c1C ZINC001164486492 1026527640 /nfs/dbraw/zinc/52/76/40/1026527640.db2.gz OSXGXJXTFWWVIE-PCCBWWKXSA-N 2 2 388.519 3.602 20 0 GHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001165149538 1026634289 /nfs/dbraw/zinc/63/42/89/1026634289.db2.gz GPAGVZGLIPVMBG-UHFFFAOYSA-N 2 2 379.504 3.512 20 0 GHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001165149538 1026634292 /nfs/dbraw/zinc/63/42/92/1026634292.db2.gz GPAGVZGLIPVMBG-UHFFFAOYSA-N 2 2 379.504 3.512 20 0 GHADLP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1cc(C)c3ccccc3[nH+]1)C2 ZINC001165407217 1026720832 /nfs/dbraw/zinc/72/08/32/1026720832.db2.gz ZJHGSHHKEBHVOW-GBXCKJPGSA-N 2 2 393.531 3.693 20 0 GHADLP Clc1ncc(C[NH+]2CCC3(CCn4c(-c5ccccc5)c[nH+]c43)CC2)cn1 ZINC001139989346 1026779752 /nfs/dbraw/zinc/77/97/52/1026779752.db2.gz RIRQPPBFYYDPAV-UHFFFAOYSA-N 2 2 379.895 3.931 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001140025712 1026813532 /nfs/dbraw/zinc/81/35/32/1026813532.db2.gz SFIHUQHAXMIFSJ-UXHICEINSA-N 2 2 393.560 3.734 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001140025712 1026813537 /nfs/dbraw/zinc/81/35/37/1026813537.db2.gz SFIHUQHAXMIFSJ-UXHICEINSA-N 2 2 393.560 3.734 20 0 GHADLP CSc1nccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001140033747 1026822688 /nfs/dbraw/zinc/82/26/88/1026822688.db2.gz PUOHLIYWIHBEMD-SNRMKQJTSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1nccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001140033747 1026822697 /nfs/dbraw/zinc/82/26/97/1026822697.db2.gz PUOHLIYWIHBEMD-SNRMKQJTSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1nccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001140033747 1026822700 /nfs/dbraw/zinc/82/27/00/1026822700.db2.gz PUOHLIYWIHBEMD-SNRMKQJTSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1nccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001140033747 1026822710 /nfs/dbraw/zinc/82/27/10/1026822710.db2.gz PUOHLIYWIHBEMD-SNRMKQJTSA-N 2 2 388.606 3.993 20 0 GHADLP CC(C)[NH+]1CCC(CNc2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)CC1 ZINC001166603587 1027038685 /nfs/dbraw/zinc/03/86/85/1027038685.db2.gz JVOIBACJCSIXLR-UHFFFAOYSA-N 2 2 376.508 3.862 20 0 GHADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC001461227916 1069451887 /nfs/dbraw/zinc/45/18/87/1069451887.db2.gz FMQRCYUVQCRQIN-UXHICEINSA-N 2 2 395.547 3.893 20 0 GHADLP COc1cc(C)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc1C ZINC001203753124 1027573929 /nfs/dbraw/zinc/57/39/29/1027573929.db2.gz JFQQPJAHZDOTOP-UHFFFAOYSA-N 2 2 384.520 3.772 20 0 GHADLP COc1cc(C)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc1C ZINC001203753124 1027573952 /nfs/dbraw/zinc/57/39/52/1027573952.db2.gz JFQQPJAHZDOTOP-UHFFFAOYSA-N 2 2 384.520 3.772 20 0 GHADLP C[NH2+]Cc1cccc(Nc2cc[nH+]c3ccc(I)cc23)c1 ZINC001211136878 1027805332 /nfs/dbraw/zinc/80/53/32/1027805332.db2.gz VTMHELLOCYRDKS-UHFFFAOYSA-N 2 2 389.240 3.724 20 0 GHADLP C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)([NH+](C)C)C1 ZINC001142065198 1028010137 /nfs/dbraw/zinc/01/01/37/1028010137.db2.gz LROJLSBTIDQNFX-PIPMEXSNSA-N 2 2 391.987 3.931 20 0 GHADLP C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)([NH+](C)C)C1 ZINC001142065198 1028010154 /nfs/dbraw/zinc/01/01/54/1028010154.db2.gz LROJLSBTIDQNFX-PIPMEXSNSA-N 2 2 391.987 3.931 20 0 GHADLP C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)([NH+](C)C)C1 ZINC001142065192 1028010190 /nfs/dbraw/zinc/01/01/90/1028010190.db2.gz LROJLSBTIDQNFX-AGHHOFFYSA-N 2 2 391.987 3.931 20 0 GHADLP C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)([NH+](C)C)C1 ZINC001142065192 1028010208 /nfs/dbraw/zinc/01/02/08/1028010208.db2.gz LROJLSBTIDQNFX-AGHHOFFYSA-N 2 2 391.987 3.931 20 0 GHADLP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)/C=C/c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC001142374453 1028779480 /nfs/dbraw/zinc/77/94/80/1028779480.db2.gz QKJUVHGZMINSDE-CBBNPUQASA-N 2 2 380.536 3.714 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)o1 ZINC001142621610 1029166688 /nfs/dbraw/zinc/16/66/88/1029166688.db2.gz PVSGTVYNNCXZRM-KFKAGJAMSA-N 2 2 388.533 3.860 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)o1 ZINC001142621610 1029166694 /nfs/dbraw/zinc/16/66/94/1029166694.db2.gz PVSGTVYNNCXZRM-KFKAGJAMSA-N 2 2 388.533 3.860 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)o1 ZINC001142621610 1029166699 /nfs/dbraw/zinc/16/66/99/1029166699.db2.gz PVSGTVYNNCXZRM-KFKAGJAMSA-N 2 2 388.533 3.860 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)o1 ZINC001142621610 1029166705 /nfs/dbraw/zinc/16/67/05/1029166705.db2.gz PVSGTVYNNCXZRM-KFKAGJAMSA-N 2 2 388.533 3.860 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001215551035 1029275782 /nfs/dbraw/zinc/27/57/82/1029275782.db2.gz XRYBPGBTUCKTPC-UHFFFAOYSA-N 2 2 381.520 3.867 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)C1 ZINC001142775183 1029432311 /nfs/dbraw/zinc/43/23/11/1029432311.db2.gz KWKYBJCVMCRAGP-SSSFQFABSA-N 2 2 384.568 3.916 20 0 GHADLP COc1cc(C)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c(C)c1 ZINC001142935569 1029716553 /nfs/dbraw/zinc/71/65/53/1029716553.db2.gz DXLVVPXQFPSDAX-UHFFFAOYSA-N 2 2 384.520 3.772 20 0 GHADLP COc1cc(C)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c(C)c1 ZINC001142935569 1029716558 /nfs/dbraw/zinc/71/65/58/1029716558.db2.gz DXLVVPXQFPSDAX-UHFFFAOYSA-N 2 2 384.520 3.772 20 0 GHADLP COc1cc(C)cc(OC)c1C[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001143139857 1029864753 /nfs/dbraw/zinc/86/47/53/1029864753.db2.gz SOWGPSMWZOYCEF-SFTDATJTSA-N 2 2 380.532 3.884 20 0 GHADLP c1c2cccnc2[nH]c1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001143214815 1029917931 /nfs/dbraw/zinc/91/79/31/1029917931.db2.gz SYGOTUBJTCRTNY-QPPBQGQZSA-N 2 2 394.563 3.523 20 0 GHADLP c1c2cccnc2[nH]c1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001143214815 1029917938 /nfs/dbraw/zinc/91/79/38/1029917938.db2.gz SYGOTUBJTCRTNY-QPPBQGQZSA-N 2 2 394.563 3.523 20 0 GHADLP c1c2cccnc2[nH]c1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001143214815 1029917948 /nfs/dbraw/zinc/91/79/48/1029917948.db2.gz SYGOTUBJTCRTNY-QPPBQGQZSA-N 2 2 394.563 3.523 20 0 GHADLP c1c2cccnc2[nH]c1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001143214815 1029917952 /nfs/dbraw/zinc/91/79/52/1029917952.db2.gz SYGOTUBJTCRTNY-QPPBQGQZSA-N 2 2 394.563 3.523 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398008 1029968716 /nfs/dbraw/zinc/96/87/16/1029968716.db2.gz RIJAJHRXSNUWLV-XLIONFOSSA-N 2 2 384.524 3.667 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(OCc2ccccc2)cc1OC ZINC001222141652 1029976593 /nfs/dbraw/zinc/97/65/93/1029976593.db2.gz POCALVGWSHFLGY-DEOSSOPVSA-N 2 2 396.531 3.858 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(OCc2ccccc2)cc1OC ZINC001222141652 1029976596 /nfs/dbraw/zinc/97/65/96/1029976596.db2.gz POCALVGWSHFLGY-DEOSSOPVSA-N 2 2 396.531 3.858 20 0 GHADLP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1c(Cl)cccc1SC)CC[NH2+]CC2 ZINC001222226218 1030020261 /nfs/dbraw/zinc/02/02/61/1030020261.db2.gz OSUBKNYUVNMDSK-MRXNPFEDSA-N 2 2 382.957 3.569 20 0 GHADLP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1c(Cl)cccc1SC)CC[NH2+]CC2 ZINC001222226218 1030020280 /nfs/dbraw/zinc/02/02/80/1030020280.db2.gz OSUBKNYUVNMDSK-MRXNPFEDSA-N 2 2 382.957 3.569 20 0 GHADLP Cc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1I ZINC001222320143 1030068198 /nfs/dbraw/zinc/06/81/98/1030068198.db2.gz AZUQVVUWHZLCFT-QGZVFWFLSA-N 2 2 384.305 3.708 20 0 GHADLP Cc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1I ZINC001222320143 1030068215 /nfs/dbraw/zinc/06/82/15/1030068215.db2.gz AZUQVVUWHZLCFT-QGZVFWFLSA-N 2 2 384.305 3.708 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)C2)cc1 ZINC001222595678 1030221955 /nfs/dbraw/zinc/22/19/55/1030221955.db2.gz GMOFTVGMSOCDEJ-VWNXMTODSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)C2)cc1 ZINC001222595678 1030221969 /nfs/dbraw/zinc/22/19/69/1030221969.db2.gz GMOFTVGMSOCDEJ-VWNXMTODSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)C2)cc1 ZINC001222595678 1030221975 /nfs/dbraw/zinc/22/19/75/1030221975.db2.gz GMOFTVGMSOCDEJ-VWNXMTODSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)C2)cc1 ZINC001222595678 1030221994 /nfs/dbraw/zinc/22/19/94/1030221994.db2.gz GMOFTVGMSOCDEJ-VWNXMTODSA-N 3 2 375.560 3.588 20 0 GHADLP Fc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222610247 1030233885 /nfs/dbraw/zinc/23/38/85/1030233885.db2.gz VZFOJMTXDZWYSG-QGZVFWFLSA-N 2 2 380.385 3.913 20 0 GHADLP Fc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222610247 1030233902 /nfs/dbraw/zinc/23/39/02/1030233902.db2.gz VZFOJMTXDZWYSG-QGZVFWFLSA-N 2 2 380.385 3.913 20 0 GHADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC001206640945 1030870280 /nfs/dbraw/zinc/87/02/80/1030870280.db2.gz PWZAPULEQWVWKW-LBPRGKRZSA-N 2 2 381.236 3.909 20 0 GHADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC001206640945 1030870302 /nfs/dbraw/zinc/87/03/02/1030870302.db2.gz PWZAPULEQWVWKW-LBPRGKRZSA-N 2 2 381.236 3.909 20 0 GHADLP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131294465 1030896667 /nfs/dbraw/zinc/89/66/67/1030896667.db2.gz UBNBUGKVJYVAQG-LSDHHAIUSA-N 2 2 394.441 3.721 20 0 GHADLP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131294465 1030896691 /nfs/dbraw/zinc/89/66/91/1030896691.db2.gz UBNBUGKVJYVAQG-LSDHHAIUSA-N 2 2 394.441 3.721 20 0 GHADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1csc(C(F)(F)F)c1-c1ccccc1 ZINC001218604607 1031001781 /nfs/dbraw/zinc/00/17/81/1031001781.db2.gz DTDVAZCINFDJEG-ZDUSSCGKSA-N 2 2 394.422 3.676 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC001218694509 1031036744 /nfs/dbraw/zinc/03/67/44/1031036744.db2.gz SZROPEDKJWLURW-NRFANRHFSA-N 2 2 384.483 3.900 20 0 GHADLP CCO[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1)C[NH+](C)C ZINC001461742671 1069717388 /nfs/dbraw/zinc/71/73/88/1069717388.db2.gz NMIZIWIROIQNQA-HSZRJFAPSA-N 2 2 392.547 3.904 20 0 GHADLP O=C(NC1C[NH+](C(c2ccccc2)c2ccccc2)C1)c1ccc2c[nH+]cn2c1 ZINC001152202888 1031145181 /nfs/dbraw/zinc/14/51/81/1031145181.db2.gz XJMQIIFNBVJKAX-UHFFFAOYSA-N 2 2 382.467 3.538 20 0 GHADLP CC1(C)C[C@H]([NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)C[N@@H+]1Cc1ccccc1 ZINC001461749138 1069723195 /nfs/dbraw/zinc/72/31/95/1069723195.db2.gz AOXCKOZJRXHENR-VXKWHMMOSA-N 2 2 386.580 3.995 20 0 GHADLP CC1(C)C[C@H]([NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)C[N@H+]1Cc1ccccc1 ZINC001461749138 1069723219 /nfs/dbraw/zinc/72/32/19/1069723219.db2.gz AOXCKOZJRXHENR-VXKWHMMOSA-N 2 2 386.580 3.995 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)NCc1ccc2c(c1)CC[NH2+]C2)c1ccccc1Cl ZINC001219705511 1031566448 /nfs/dbraw/zinc/56/64/48/1031566448.db2.gz LTEJJVQERNYIBR-OAQYLSRUSA-N 2 2 385.939 3.685 20 0 GHADLP Cc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(C)cc1I ZINC001205703125 1033538469 /nfs/dbraw/zinc/53/84/69/1033538469.db2.gz WOTFKPJVSGWHFA-YJBOKZPZSA-N 2 2 398.332 3.824 20 0 GHADLP Cc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(C)cc1I ZINC001205703125 1033538480 /nfs/dbraw/zinc/53/84/80/1033538480.db2.gz WOTFKPJVSGWHFA-YJBOKZPZSA-N 2 2 398.332 3.824 20 0 GHADLP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(C)cc1I ZINC001205703125 1033538492 /nfs/dbraw/zinc/53/84/92/1033538492.db2.gz WOTFKPJVSGWHFA-YJBOKZPZSA-N 2 2 398.332 3.824 20 0 GHADLP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(C)cc1I ZINC001205703125 1033538498 /nfs/dbraw/zinc/53/84/98/1033538498.db2.gz WOTFKPJVSGWHFA-YJBOKZPZSA-N 2 2 398.332 3.824 20 0 GHADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC(F)(F)[C@H](C[NH3+])C3)o2)cc1 ZINC001205769588 1033564500 /nfs/dbraw/zinc/56/45/00/1033564500.db2.gz JINKJQDUWVYQMJ-MRXNPFEDSA-N 2 2 378.419 3.539 20 0 GHADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)o2)cc1 ZINC001205769588 1033564505 /nfs/dbraw/zinc/56/45/05/1033564505.db2.gz JINKJQDUWVYQMJ-MRXNPFEDSA-N 2 2 378.419 3.539 20 0 GHADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001205914078 1033632242 /nfs/dbraw/zinc/63/22/42/1033632242.db2.gz KUSIUMOQVKKQAE-PWSUYJOCSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001205914078 1033632255 /nfs/dbraw/zinc/63/22/55/1033632255.db2.gz KUSIUMOQVKKQAE-PWSUYJOCSA-N 2 2 381.236 3.907 20 0 GHADLP [NH3+]CCC1CC[NH+](Cc2c(Br)cc(F)cc2Br)CC1 ZINC001206500758 1033876041 /nfs/dbraw/zinc/87/60/41/1033876041.db2.gz RCYQZKAFZYACKO-UHFFFAOYSA-N 2 2 394.126 3.912 20 0 GHADLP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206565444 1033909191 /nfs/dbraw/zinc/90/91/91/1033909191.db2.gz SUXZAGOHRHSZGT-HXUWFJFHSA-N 2 2 377.916 3.949 20 0 GHADLP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206565444 1033909201 /nfs/dbraw/zinc/90/92/01/1033909201.db2.gz SUXZAGOHRHSZGT-HXUWFJFHSA-N 2 2 377.916 3.949 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3cnn([C@H]4CCCCO4)c3c2)C1 ZINC001206676643 1033940987 /nfs/dbraw/zinc/94/09/87/1033940987.db2.gz WLQHSNSVCQLJCZ-NFBKMPQASA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3cnn([C@H]4CCCCO4)c3c2)C1 ZINC001206676643 1033940994 /nfs/dbraw/zinc/94/09/94/1033940994.db2.gz WLQHSNSVCQLJCZ-NFBKMPQASA-N 2 2 376.504 3.935 20 0 GHADLP COc1cccc([C@H]2CSCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001206735162 1033964050 /nfs/dbraw/zinc/96/40/50/1033964050.db2.gz PETJWXSYNCMZPO-HSZRJFAPSA-N 2 2 398.572 3.818 20 0 GHADLP COc1cccc([C@H]2CSCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001206735162 1033964055 /nfs/dbraw/zinc/96/40/55/1033964055.db2.gz PETJWXSYNCMZPO-HSZRJFAPSA-N 2 2 398.572 3.818 20 0 GHADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001207187045 1034158387 /nfs/dbraw/zinc/15/83/87/1034158387.db2.gz ODSIPKADQSGTMF-HKUYNNGSSA-N 2 2 387.959 3.781 20 0 GHADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001207187045 1034158398 /nfs/dbraw/zinc/15/83/98/1034158398.db2.gz ODSIPKADQSGTMF-HKUYNNGSSA-N 2 2 387.959 3.781 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001207187045 1034158403 /nfs/dbraw/zinc/15/84/03/1034158403.db2.gz ODSIPKADQSGTMF-HKUYNNGSSA-N 2 2 387.959 3.781 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001207187045 1034158412 /nfs/dbraw/zinc/15/84/12/1034158412.db2.gz ODSIPKADQSGTMF-HKUYNNGSSA-N 2 2 387.959 3.781 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC001207195508 1034164356 /nfs/dbraw/zinc/16/43/56/1034164356.db2.gz ADMUUBDVKMHKAK-BUUDZMLXSA-N 2 2 399.623 3.829 20 0 GHADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC001207195508 1034164365 /nfs/dbraw/zinc/16/43/65/1034164365.db2.gz ADMUUBDVKMHKAK-BUUDZMLXSA-N 2 2 399.623 3.829 20 0 GHADLP O=C(OCc1ccccc1)[C@@H]1CCC[NH2+][C@H](Nc2cc(N3CCCC3)cc[nH+]2)C1 ZINC001158586983 1034177730 /nfs/dbraw/zinc/17/77/30/1034177730.db2.gz UEUCFAUFBOZHDG-TZIWHRDSSA-N 2 2 394.519 3.553 20 0 GHADLP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)cc1 ZINC001207938640 1034668046 /nfs/dbraw/zinc/66/80/46/1034668046.db2.gz BSJXUZXWVDVBGK-LJQANCHMSA-N 2 2 392.551 3.731 20 0 GHADLP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)cc1 ZINC001207938640 1034668055 /nfs/dbraw/zinc/66/80/55/1034668055.db2.gz BSJXUZXWVDVBGK-LJQANCHMSA-N 2 2 392.551 3.731 20 0 GHADLP CN(Cc1ccccc1)c1ccc(Nc2c(O)cccc2N2CC[NH2+]CC2)c[nH+]1 ZINC001160011831 1034828473 /nfs/dbraw/zinc/82/84/73/1034828473.db2.gz JRPLMTQPLBXUJD-UHFFFAOYSA-N 2 2 389.503 3.577 20 0 GHADLP CC(C)Oc1ncccc1CC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001208790222 1035022425 /nfs/dbraw/zinc/02/24/25/1035022425.db2.gz BQCFTHNUDFJRJI-SFHVURJKSA-N 2 2 385.556 3.525 20 0 GHADLP CC(C)Oc1ncccc1CC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001208790222 1035022448 /nfs/dbraw/zinc/02/24/48/1035022448.db2.gz BQCFTHNUDFJRJI-SFHVURJKSA-N 2 2 385.556 3.525 20 0 GHADLP CC(C)Oc1ncccc1CC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001208790222 1035022457 /nfs/dbraw/zinc/02/24/57/1035022457.db2.gz BQCFTHNUDFJRJI-SFHVURJKSA-N 2 2 385.556 3.525 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001232014437 1035043731 /nfs/dbraw/zinc/04/37/31/1035043731.db2.gz IGCJROOVEXLLAO-JWNTYJGQSA-N 3 2 375.520 3.690 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001232014437 1035043739 /nfs/dbraw/zinc/04/37/39/1035043739.db2.gz IGCJROOVEXLLAO-JWNTYJGQSA-N 3 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001232014437 1035043745 /nfs/dbraw/zinc/04/37/45/1035043745.db2.gz IGCJROOVEXLLAO-JWNTYJGQSA-N 3 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001232014437 1035043756 /nfs/dbraw/zinc/04/37/56/1035043756.db2.gz IGCJROOVEXLLAO-JWNTYJGQSA-N 2 2 375.520 3.690 20 0 GHADLP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001232014437 1035043762 /nfs/dbraw/zinc/04/37/62/1035043762.db2.gz IGCJROOVEXLLAO-JWNTYJGQSA-N 2 2 375.520 3.690 20 0 GHADLP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001232014437 1035043773 /nfs/dbraw/zinc/04/37/73/1035043773.db2.gz IGCJROOVEXLLAO-JWNTYJGQSA-N 2 2 375.520 3.690 20 0 GHADLP Fc1ccccc1C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208938464 1035106350 /nfs/dbraw/zinc/10/63/50/1035106350.db2.gz ZXCVRCCPIYWMDN-QFIPXVFZSA-N 2 2 381.539 3.856 20 0 GHADLP Fc1ccccc1C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208938464 1035106355 /nfs/dbraw/zinc/10/63/55/1035106355.db2.gz ZXCVRCCPIYWMDN-QFIPXVFZSA-N 2 2 381.539 3.856 20 0 GHADLP Fc1ccccc1CN1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208938464 1035106361 /nfs/dbraw/zinc/10/63/61/1035106361.db2.gz ZXCVRCCPIYWMDN-QFIPXVFZSA-N 2 2 381.539 3.856 20 0 GHADLP Fc1ccccc1CN1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208938464 1035106365 /nfs/dbraw/zinc/10/63/65/1035106365.db2.gz ZXCVRCCPIYWMDN-QFIPXVFZSA-N 2 2 381.539 3.856 20 0 GHADLP Clc1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)nc1 ZINC001208938214 1035107212 /nfs/dbraw/zinc/10/72/12/1035107212.db2.gz ABVJFIIEUFZKMO-HXUWFJFHSA-N 2 2 384.955 3.769 20 0 GHADLP Clc1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC001208938214 1035107218 /nfs/dbraw/zinc/10/72/18/1035107218.db2.gz ABVJFIIEUFZKMO-HXUWFJFHSA-N 2 2 384.955 3.769 20 0 GHADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[C@H]([NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC001161030967 1035122730 /nfs/dbraw/zinc/12/27/30/1035122730.db2.gz NLDIJMOATCHMCN-JOCHJYFZSA-N 2 2 390.531 3.698 20 0 GHADLP CCOC(=O)Cc1cc[nH+]c(NCC2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC001161201972 1035179428 /nfs/dbraw/zinc/17/94/28/1035179428.db2.gz UKNXNTAULKYDSY-UHFFFAOYSA-N 2 2 385.483 3.650 20 0 GHADLP FC1(F)CC[N@H+](CCc2cccs2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001209224665 1035210660 /nfs/dbraw/zinc/21/06/60/1035210660.db2.gz JOCLMEDYRCIIGC-LJQANCHMSA-N 2 2 377.504 3.919 20 0 GHADLP FC1(F)CC[N@@H+](CCc2cccs2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001209224665 1035210665 /nfs/dbraw/zinc/21/06/65/1035210665.db2.gz JOCLMEDYRCIIGC-LJQANCHMSA-N 2 2 377.504 3.919 20 0 GHADLP FC1(F)CC[NH+](CCc2cccs2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001209224665 1035210671 /nfs/dbraw/zinc/21/06/71/1035210671.db2.gz JOCLMEDYRCIIGC-LJQANCHMSA-N 2 2 377.504 3.919 20 0 GHADLP FC1(F)CC[NH+](CCc2cccs2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001209224665 1035210673 /nfs/dbraw/zinc/21/06/73/1035210673.db2.gz JOCLMEDYRCIIGC-LJQANCHMSA-N 2 2 377.504 3.919 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3c[nH]c4ncc(Cl)cc34)C2)C1 ZINC001209598693 1035325240 /nfs/dbraw/zinc/32/52/40/1035325240.db2.gz KXTARSSSFJRUBJ-HXUWFJFHSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3c[nH]c4ncc(Cl)cc34)C2)C1 ZINC001209598693 1035325250 /nfs/dbraw/zinc/32/52/50/1035325250.db2.gz KXTARSSSFJRUBJ-HXUWFJFHSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3c[nH]c4ncc(Cl)cc34)C2)C1 ZINC001209598693 1035325256 /nfs/dbraw/zinc/32/52/56/1035325256.db2.gz KXTARSSSFJRUBJ-HXUWFJFHSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3c[nH]c4ncc(Cl)cc34)C2)C1 ZINC001209598693 1035325262 /nfs/dbraw/zinc/32/52/62/1035325262.db2.gz KXTARSSSFJRUBJ-HXUWFJFHSA-N 2 2 376.932 3.539 20 0 GHADLP O=C(c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1)N1CCCC1 ZINC001209673147 1035351712 /nfs/dbraw/zinc/35/17/12/1035351712.db2.gz QXRDOSKEEUCYHF-SFTDATJTSA-N 2 2 395.572 3.548 20 0 GHADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4nc(Br)sc4c3)C[C@H]2C1 ZINC001248596121 1035979090 /nfs/dbraw/zinc/97/90/90/1035979090.db2.gz BYAALXQUEILZFK-ZIAGYGMSSA-N 2 2 380.355 3.832 20 0 GHADLP C[C@H]1C[NH2+]C[C@H]1[NH2+]C[C@@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245983773 1037107721 /nfs/dbraw/zinc/10/77/21/1037107721.db2.gz OLILKJZGZHFCIT-ZKWAXGPOSA-N 2 2 377.315 3.796 20 0 GHADLP O[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001246026823 1037143815 /nfs/dbraw/zinc/14/38/15/1037143815.db2.gz KFTMFIQCCPWFQP-QEEYODRMSA-N 2 2 389.326 3.749 20 0 GHADLP O[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001246026823 1037143823 /nfs/dbraw/zinc/14/38/23/1037143823.db2.gz KFTMFIQCCPWFQP-QEEYODRMSA-N 2 2 389.326 3.749 20 0 GHADLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1c(F)cc(O)cc1F)CC2 ZINC001278431205 1037193153 /nfs/dbraw/zinc/19/31/53/1037193153.db2.gz WGYDQESUGGRGBS-UHFFFAOYSA-N 2 2 379.476 3.533 20 0 GHADLP COc1ccc(CC[NH+]2CCC([NH2+][C@H]3CC[NH2+]C4(CCCCC4)C3)CC2)cc1 ZINC001246345071 1037306436 /nfs/dbraw/zinc/30/64/36/1037306436.db2.gz VWLYUPKNZKPSPQ-QFIPXVFZSA-N 3 2 385.596 3.747 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H](c3ccccc3)C2)cc1 ZINC001246368361 1037326158 /nfs/dbraw/zinc/32/61/58/1037326158.db2.gz BWIOLPMVFUYSJW-GKFAFHNOSA-N 3 2 375.560 3.917 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H](c3ccccc3)C2)cc1 ZINC001246368361 1037326182 /nfs/dbraw/zinc/32/61/82/1037326182.db2.gz BWIOLPMVFUYSJW-GKFAFHNOSA-N 3 2 375.560 3.917 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCc3ncnc(OC(C)C)c3CC2)CC[NH2+]1 ZINC001246710372 1037562194 /nfs/dbraw/zinc/56/21/94/1037562194.db2.gz USRBJZPBVMDKJE-GCJKJVERSA-N 2 2 398.526 3.605 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCc3ncnc(OC(C)C)c3CC2)CC[NH2+]1 ZINC001246710372 1037562218 /nfs/dbraw/zinc/56/22/18/1037562218.db2.gz USRBJZPBVMDKJE-GCJKJVERSA-N 2 2 398.526 3.605 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246755699 1037595778 /nfs/dbraw/zinc/59/57/78/1037595778.db2.gz IYGUHMOKCQVLRP-NUNAXRQHSA-N 3 2 385.596 3.663 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246755699 1037595794 /nfs/dbraw/zinc/59/57/94/1037595794.db2.gz IYGUHMOKCQVLRP-NUNAXRQHSA-N 3 2 385.596 3.663 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246792736 1037632739 /nfs/dbraw/zinc/63/27/39/1037632739.db2.gz WMWRCXTZYUJKQK-HTAPYJJXSA-N 2 2 385.502 3.812 20 0 GHADLP C[C@H]1C[C@H](N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246792736 1037632751 /nfs/dbraw/zinc/63/27/51/1037632751.db2.gz WMWRCXTZYUJKQK-HTAPYJJXSA-N 2 2 385.502 3.812 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH2+]1 ZINC001246825536 1037657905 /nfs/dbraw/zinc/65/79/05/1037657905.db2.gz VPGYUTKSBXUOGV-VCHRRKICSA-N 2 2 379.523 3.886 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH2+]1 ZINC001246825536 1037657907 /nfs/dbraw/zinc/65/79/07/1037657907.db2.gz VPGYUTKSBXUOGV-VCHRRKICSA-N 2 2 379.523 3.886 20 0 GHADLP O=C1C[C@@H]([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC001246933049 1037738390 /nfs/dbraw/zinc/73/83/90/1037738390.db2.gz GBDOCSSUMVIQQW-XZOQPEGZSA-N 2 2 395.522 3.571 20 0 GHADLP O=C1C[C@@H]([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC001246933049 1037738412 /nfs/dbraw/zinc/73/84/12/1037738412.db2.gz GBDOCSSUMVIQQW-XZOQPEGZSA-N 2 2 395.522 3.571 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1)C2 ZINC001246939304 1037745672 /nfs/dbraw/zinc/74/56/72/1037745672.db2.gz UMRYDTWDQYBLKJ-WOZUAGRISA-N 2 2 389.515 3.532 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1)C2 ZINC001246939304 1037745694 /nfs/dbraw/zinc/74/56/94/1037745694.db2.gz UMRYDTWDQYBLKJ-WOZUAGRISA-N 2 2 389.515 3.532 20 0 GHADLP O=C(OC1CCC([N@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC001246951511 1037755739 /nfs/dbraw/zinc/75/57/39/1037755739.db2.gz CZQXXRRYYVCGRG-KOENEWCDSA-N 2 2 393.531 3.804 20 0 GHADLP O=C(OC1CCC([N@@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC001246951511 1037755758 /nfs/dbraw/zinc/75/57/58/1037755758.db2.gz CZQXXRRYYVCGRG-KOENEWCDSA-N 2 2 393.531 3.804 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](Oc3nccnc3C)C2)CC[NH2+]1 ZINC001246957144 1037769180 /nfs/dbraw/zinc/76/91/80/1037769180.db2.gz AGDILZSSYOJFHM-ZJOUEHCJSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Oc3nccnc3C)C2)CC[NH2+]1 ZINC001246957144 1037769201 /nfs/dbraw/zinc/76/92/01/1037769201.db2.gz AGDILZSSYOJFHM-ZJOUEHCJSA-N 2 2 384.499 3.569 20 0 GHADLP COc1cccc(OC2CC[NH+]([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)n1 ZINC001246969060 1037791236 /nfs/dbraw/zinc/79/12/36/1037791236.db2.gz JCVGRBIICSEHLX-RXVVDRJESA-N 2 2 399.510 3.874 20 0 GHADLP CC(C)(C)[C@@H]1C[C@@H](N2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)CC[NH2+]1 ZINC001246988614 1037811591 /nfs/dbraw/zinc/81/15/91/1037811591.db2.gz IJGGYDBRBHMLRY-FHWLQOOXSA-N 2 2 383.502 3.902 20 0 GHADLP CC(C)(C)[C@@H]1C[C@@H](N2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)CC[NH2+]1 ZINC001246988614 1037811614 /nfs/dbraw/zinc/81/16/14/1037811614.db2.gz IJGGYDBRBHMLRY-FHWLQOOXSA-N 2 2 383.502 3.902 20 0 GHADLP CCc1csc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)n1 ZINC001232469658 1038253924 /nfs/dbraw/zinc/25/39/24/1038253924.db2.gz LJJOTZIFWVHDJT-KRWDZBQOSA-N 2 2 375.538 3.554 20 0 GHADLP CCc1csc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)n1 ZINC001232469658 1038253944 /nfs/dbraw/zinc/25/39/44/1038253944.db2.gz LJJOTZIFWVHDJT-KRWDZBQOSA-N 2 2 375.538 3.554 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2c[nH]c3cc(Br)ncc23)C1 ZINC001232861938 1038614573 /nfs/dbraw/zinc/61/45/73/1038614573.db2.gz JFOPKYSZZLNSHN-CQSZACIVSA-N 2 2 387.281 3.682 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001462384147 1070216248 /nfs/dbraw/zinc/21/62/48/1070216248.db2.gz CDZKTMQZFXAXTP-ZTFGCOKTSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001462384147 1070216265 /nfs/dbraw/zinc/21/62/65/1070216265.db2.gz CDZKTMQZFXAXTP-ZTFGCOKTSA-N 2 2 394.357 3.773 20 0 GHADLP Cc1[nH]c(C[NH+]2CCC3(C[C@@H](CC(=O)NC4CC4)c4ccccc43)CC2)c(C)[nH+]1 ZINC001234617834 1040171767 /nfs/dbraw/zinc/17/17/67/1040171767.db2.gz WPSBFTCHEMHART-GOSISDBHSA-N 2 2 392.547 3.716 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C3CCC4(CC4)CC3)CC2)C1 ZINC001254449228 1040238538 /nfs/dbraw/zinc/23/85/38/1040238538.db2.gz KAOANXGZGFAEFC-KRWDZBQOSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C3CCC4(CC4)CC3)CC2)C1 ZINC001254449228 1040238546 /nfs/dbraw/zinc/23/85/46/1040238546.db2.gz KAOANXGZGFAEFC-KRWDZBQOSA-N 2 2 377.573 3.773 20 0 GHADLP C[N@@H+]1CCC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)CC1 ZINC001254518156 1040292214 /nfs/dbraw/zinc/29/22/14/1040292214.db2.gz AZOGDTCTOPOFOW-NHCUHLMSSA-N 2 2 387.568 3.635 20 0 GHADLP C[N@H+]1CCC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)CC1 ZINC001254518156 1040292234 /nfs/dbraw/zinc/29/22/34/1040292234.db2.gz AZOGDTCTOPOFOW-NHCUHLMSSA-N 2 2 387.568 3.635 20 0 GHADLP C[NH+]1CCC[C@@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)CC1 ZINC001254518156 1040292247 /nfs/dbraw/zinc/29/22/47/1040292247.db2.gz AZOGDTCTOPOFOW-NHCUHLMSSA-N 2 2 387.568 3.635 20 0 GHADLP C[NH+]1CCC[C@@H]([N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)CC1 ZINC001254518156 1040292259 /nfs/dbraw/zinc/29/22/59/1040292259.db2.gz AZOGDTCTOPOFOW-NHCUHLMSSA-N 2 2 387.568 3.635 20 0 GHADLP CCOC(OCC)c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001234875228 1040389852 /nfs/dbraw/zinc/38/98/52/1040389852.db2.gz MBBOBCDDRAFHBU-VXKWHMMOSA-N 2 2 395.547 3.717 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1cccc3ncsc31)CC2 ZINC001235017955 1040507446 /nfs/dbraw/zinc/50/74/46/1040507446.db2.gz CVCIUQMTNXBBQD-UHFFFAOYSA-N 2 2 379.529 3.942 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1cccc3ncsc31)CC2 ZINC001235017955 1040507465 /nfs/dbraw/zinc/50/74/65/1040507465.db2.gz CVCIUQMTNXBBQD-UHFFFAOYSA-N 2 2 379.529 3.942 20 0 GHADLP Brc1cc(C[N@@H+]2CC[C@]3(C2)CCCCO3)ccc1-n1cc[nH+]c1 ZINC001235027638 1040518540 /nfs/dbraw/zinc/51/85/40/1040518540.db2.gz NOHPKQWFBXQKDR-SFHVURJKSA-N 2 2 376.298 3.780 20 0 GHADLP Brc1cc(C[N@H+]2CC[C@]3(C2)CCCCO3)ccc1-n1cc[nH+]c1 ZINC001235027638 1040518548 /nfs/dbraw/zinc/51/85/48/1040518548.db2.gz NOHPKQWFBXQKDR-SFHVURJKSA-N 2 2 376.298 3.780 20 0 GHADLP Fc1ccccc1-c1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c[nH]1 ZINC001235032812 1040524760 /nfs/dbraw/zinc/52/47/60/1040524760.db2.gz RRMSAOUEZDYYHW-BGYRXZFFSA-N 2 2 376.479 3.780 20 0 GHADLP Fc1ccccc1-c1cc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c[nH]1 ZINC001235032812 1040524776 /nfs/dbraw/zinc/52/47/76/1040524776.db2.gz RRMSAOUEZDYYHW-BGYRXZFFSA-N 2 2 376.479 3.780 20 0 GHADLP Fc1ccccc1-c1cc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)c[nH]1 ZINC001235032812 1040524797 /nfs/dbraw/zinc/52/47/97/1040524797.db2.gz RRMSAOUEZDYYHW-BGYRXZFFSA-N 2 2 376.479 3.780 20 0 GHADLP Fc1ccccc1-c1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)c[nH]1 ZINC001235032812 1040524819 /nfs/dbraw/zinc/52/48/19/1040524819.db2.gz RRMSAOUEZDYYHW-BGYRXZFFSA-N 2 2 376.479 3.780 20 0 GHADLP Cn1c2ccccc2c(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)c1-c1ccccc1 ZINC001235115680 1040605733 /nfs/dbraw/zinc/60/57/33/1040605733.db2.gz GNUYZPXRZJXICZ-DEOSSOPVSA-N 2 2 375.516 3.800 20 0 GHADLP Cn1c2ccccc2c(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)c1-c1ccccc1 ZINC001235115680 1040605746 /nfs/dbraw/zinc/60/57/46/1040605746.db2.gz GNUYZPXRZJXICZ-DEOSSOPVSA-N 2 2 375.516 3.800 20 0 GHADLP FC(F)(F)c1ccc2c(c1)C1(CO2)CC[NH+]([C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254864728 1040607863 /nfs/dbraw/zinc/60/78/63/1040607863.db2.gz SUPGUWNARAUYIX-QGZVFWFLSA-N 2 2 380.454 3.916 20 0 GHADLP COc1ccc([C@H]([NH3+])[C@@H]([NH2+][C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)c2ccc(OC)cc2)cc1 ZINC001254929786 1040674188 /nfs/dbraw/zinc/67/41/88/1040674188.db2.gz XYXPVFWSESGZGX-GOXSOWCTSA-N 2 2 394.515 3.792 20 0 GHADLP C[C@@H](c1nccc2ccccc21)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462480034 1070289802 /nfs/dbraw/zinc/28/98/02/1070289802.db2.gz NWWXHHYGENGPPM-CYFREDJKSA-N 2 2 375.516 3.865 20 0 GHADLP C[C@@H](c1nccc2ccccc21)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462480034 1070289812 /nfs/dbraw/zinc/28/98/12/1070289812.db2.gz NWWXHHYGENGPPM-CYFREDJKSA-N 2 2 375.516 3.865 20 0 GHADLP C[C@@H](c1nccc2ccccc21)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001462480034 1070289830 /nfs/dbraw/zinc/28/98/30/1070289830.db2.gz NWWXHHYGENGPPM-CYFREDJKSA-N 2 2 375.516 3.865 20 0 GHADLP C[C@@H](c1nccc2ccccc21)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001462480034 1070289843 /nfs/dbraw/zinc/28/98/43/1070289843.db2.gz NWWXHHYGENGPPM-CYFREDJKSA-N 2 2 375.516 3.865 20 0 GHADLP Cc1c(I)cccc1C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191258 1040682293 /nfs/dbraw/zinc/68/22/93/1040682293.db2.gz PLHBHFFKLWGUKT-UHFFFAOYSA-N 2 2 384.305 3.708 20 0 GHADLP Cc1c(I)cccc1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191258 1040682298 /nfs/dbraw/zinc/68/22/98/1040682298.db2.gz PLHBHFFKLWGUKT-UHFFFAOYSA-N 2 2 384.305 3.708 20 0 GHADLP Clc1ccc(-c2ccc(C[N@@H+]3CCCO[C@]4(C[NH2+]CCOC4)C3)cc2)cc1 ZINC001235200569 1040687409 /nfs/dbraw/zinc/68/74/09/1040687409.db2.gz NTHZJUHNVBNFCW-JOCHJYFZSA-N 2 2 386.923 3.588 20 0 GHADLP Clc1ccc(-c2ccc(C[N@H+]3CCCO[C@]4(C[NH2+]CCOC4)C3)cc2)cc1 ZINC001235200569 1040687417 /nfs/dbraw/zinc/68/74/17/1040687417.db2.gz NTHZJUHNVBNFCW-JOCHJYFZSA-N 2 2 386.923 3.588 20 0 GHADLP CCc1cccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)n1 ZINC001235259273 1040741847 /nfs/dbraw/zinc/74/18/47/1040741847.db2.gz PFISJVNEVITFNZ-QPPBQGQZSA-N 2 2 383.580 3.605 20 0 GHADLP CCc1cccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)n1 ZINC001235259273 1040741865 /nfs/dbraw/zinc/74/18/65/1040741865.db2.gz PFISJVNEVITFNZ-QPPBQGQZSA-N 2 2 383.580 3.605 20 0 GHADLP CCc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)n1 ZINC001235259273 1040741881 /nfs/dbraw/zinc/74/18/81/1040741881.db2.gz PFISJVNEVITFNZ-QPPBQGQZSA-N 2 2 383.580 3.605 20 0 GHADLP CCc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)n1 ZINC001235259273 1040741896 /nfs/dbraw/zinc/74/18/96/1040741896.db2.gz PFISJVNEVITFNZ-QPPBQGQZSA-N 2 2 383.580 3.605 20 0 GHADLP Cc1cncc(Br)c1C[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235374911 1040881915 /nfs/dbraw/zinc/88/19/15/1040881915.db2.gz JBQXATAQYOUYRB-QUCCMNQESA-N 2 2 386.337 3.732 20 0 GHADLP Cc1cncc(Br)c1C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235374911 1040881919 /nfs/dbraw/zinc/88/19/19/1040881919.db2.gz JBQXATAQYOUYRB-QUCCMNQESA-N 2 2 386.337 3.732 20 0 GHADLP Oc1ccc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(C(F)(F)F)c1 ZINC001235377037 1040888485 /nfs/dbraw/zinc/88/84/85/1040888485.db2.gz MPUXSMGETAMYAT-UXHICEINSA-N 2 2 376.422 3.990 20 0 GHADLP Oc1ccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(C(F)(F)F)c1 ZINC001235377037 1040888501 /nfs/dbraw/zinc/88/85/01/1040888501.db2.gz MPUXSMGETAMYAT-UXHICEINSA-N 2 2 376.422 3.990 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC001255223935 1040914806 /nfs/dbraw/zinc/91/48/06/1040914806.db2.gz BRWWEKHWSGBGJM-REPLKXPHSA-N 2 2 386.540 3.571 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)C1 ZINC001255350129 1040955606 /nfs/dbraw/zinc/95/56/06/1040955606.db2.gz RJLBRBQMVOHATR-UWJYYQICSA-N 2 2 376.516 3.810 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001255380383 1040971023 /nfs/dbraw/zinc/97/10/23/1040971023.db2.gz RMMWWHRZPMQSIO-YLJYHZDGSA-N 2 2 376.516 3.844 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001255380383 1040971025 /nfs/dbraw/zinc/97/10/25/1040971025.db2.gz RMMWWHRZPMQSIO-YLJYHZDGSA-N 2 2 376.516 3.844 20 0 GHADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC2(CCN(C(=O)c3cccs3)CC2)CC1 ZINC001235517712 1040972860 /nfs/dbraw/zinc/97/28/60/1040972860.db2.gz OITZLVSXQSDFOH-HXUWFJFHSA-N 2 2 397.588 3.636 20 0 GHADLP COC1CCC([NH2+]C[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001255450360 1041053789 /nfs/dbraw/zinc/05/37/89/1041053789.db2.gz VYWAWYMFXWDAIS-WLXPTCNVSA-N 2 2 382.548 3.597 20 0 GHADLP COc1cc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)ccc1Cl ZINC001235647358 1041085793 /nfs/dbraw/zinc/08/57/93/1041085793.db2.gz RHWKRZRACHNYRW-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP COc1cc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)ccc1Cl ZINC001235647358 1041085810 /nfs/dbraw/zinc/08/58/10/1041085810.db2.gz RHWKRZRACHNYRW-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCO1 ZINC001255528141 1041113120 /nfs/dbraw/zinc/11/31/20/1041113120.db2.gz HKKPNDRXABKFLN-GOTSBHOMSA-N 2 2 382.548 3.597 20 0 GHADLP Oc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1OC(F)(F)F ZINC001235668991 1041124513 /nfs/dbraw/zinc/12/45/13/1041124513.db2.gz SSSKWQJTONDMTC-GASCZTMLSA-N 2 2 398.450 3.916 20 0 GHADLP Oc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1OC(F)(F)F ZINC001235668991 1041124556 /nfs/dbraw/zinc/12/45/56/1041124556.db2.gz SSSKWQJTONDMTC-GASCZTMLSA-N 2 2 398.450 3.916 20 0 GHADLP Oc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1OC(F)(F)F ZINC001235668991 1041124580 /nfs/dbraw/zinc/12/45/80/1041124580.db2.gz SSSKWQJTONDMTC-GASCZTMLSA-N 2 2 398.450 3.916 20 0 GHADLP Oc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1OC(F)(F)F ZINC001235668991 1041124595 /nfs/dbraw/zinc/12/45/95/1041124595.db2.gz SSSKWQJTONDMTC-GASCZTMLSA-N 2 2 398.450 3.916 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+]([C@H](C)Cc4ccc(C)cc4)CC[C@@H]3C2)cs1 ZINC001255792554 1041302395 /nfs/dbraw/zinc/30/23/95/1041302395.db2.gz WQQVWCVYLVVKMB-JMUQELJHSA-N 2 2 399.604 3.914 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@H](C)Cc4ccc(C)cc4)CC[C@@H]3C2)cs1 ZINC001255792554 1041302412 /nfs/dbraw/zinc/30/24/12/1041302412.db2.gz WQQVWCVYLVVKMB-JMUQELJHSA-N 2 2 399.604 3.914 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@H](C)Cc4ccc(C)cc4)CC[C@@H]3C2)cs1 ZINC001255792554 1041302425 /nfs/dbraw/zinc/30/24/25/1041302425.db2.gz WQQVWCVYLVVKMB-JMUQELJHSA-N 2 2 399.604 3.914 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+]([C@H](C)Cc4ccc(C)cc4)CC[C@@H]3C2)cs1 ZINC001255792554 1041302435 /nfs/dbraw/zinc/30/24/35/1041302435.db2.gz WQQVWCVYLVVKMB-JMUQELJHSA-N 2 2 399.604 3.914 20 0 GHADLP COCCC[N@H+](Cc1cn(C)c2ccc(Br)cc12)[C@@H]1CCC[NH2+]C1 ZINC001235807557 1041316573 /nfs/dbraw/zinc/31/65/73/1041316573.db2.gz OCYYKHSYDLQSPD-QGZVFWFLSA-N 2 2 394.357 3.531 20 0 GHADLP COCCC[N@@H+](Cc1cn(C)c2ccc(Br)cc12)[C@@H]1CCC[NH2+]C1 ZINC001235807557 1041316588 /nfs/dbraw/zinc/31/65/88/1041316588.db2.gz OCYYKHSYDLQSPD-QGZVFWFLSA-N 2 2 394.357 3.531 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@H](C)Cc3ccccc3F)CC2)cc1 ZINC001255840794 1041333892 /nfs/dbraw/zinc/33/38/92/1041333892.db2.gz IZKBYBQAPZVNPR-QGZVFWFLSA-N 2 2 384.495 3.798 20 0 GHADLP CC1([NH+]2CCN(Cc3cc(F)cc(OCc4ccccc4)c3)CC2)CC[NH2+]CC1 ZINC001235822792 1041341602 /nfs/dbraw/zinc/34/16/02/1041341602.db2.gz SNNHVTVSVYAZQS-UHFFFAOYSA-N 2 2 397.538 3.664 20 0 GHADLP Fc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236010903 1041502937 /nfs/dbraw/zinc/50/29/37/1041502937.db2.gz VMMZYUDRFRFTCO-APWZRJJASA-N 2 2 380.385 3.697 20 0 GHADLP Fc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236010903 1041502942 /nfs/dbraw/zinc/50/29/42/1041502942.db2.gz VMMZYUDRFRFTCO-APWZRJJASA-N 2 2 380.385 3.697 20 0 GHADLP Fc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)ccc1OC(F)(F)F ZINC001236011027 1041503562 /nfs/dbraw/zinc/50/35/62/1041503562.db2.gz YNTPDQABNXKUAV-APWZRJJASA-N 2 2 380.385 3.697 20 0 GHADLP Fc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)ccc1OC(F)(F)F ZINC001236011027 1041503581 /nfs/dbraw/zinc/50/35/81/1041503581.db2.gz YNTPDQABNXKUAV-APWZRJJASA-N 2 2 380.385 3.697 20 0 GHADLP CCN(CC)C(=O)c1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)ccc1Cl ZINC001236138533 1041564203 /nfs/dbraw/zinc/56/42/03/1041564203.db2.gz BHIRMEMUSCTTRB-UHFFFAOYSA-N 2 2 382.895 3.824 20 0 GHADLP C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001236154197 1041575439 /nfs/dbraw/zinc/57/54/39/1041575439.db2.gz SMCCIYXHICSHJB-HXUWFJFHSA-N 2 2 386.616 3.739 20 0 GHADLP C[N@H+](Cc1ccc(Cl)c(I)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219239 1041627339 /nfs/dbraw/zinc/62/73/39/1041627339.db2.gz UYGNLDPEWTZJBS-UONOGXRCSA-N 2 2 378.685 3.646 20 0 GHADLP C[N@@H+](Cc1ccc(Cl)c(I)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219239 1041627353 /nfs/dbraw/zinc/62/73/53/1041627353.db2.gz UYGNLDPEWTZJBS-UONOGXRCSA-N 2 2 378.685 3.646 20 0 GHADLP Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001256207535 1041649396 /nfs/dbraw/zinc/64/93/96/1041649396.db2.gz LNRMNCSYZMYUFT-UHFFFAOYSA-N 2 2 393.531 3.676 20 0 GHADLP C[NH+]1CCC([NH+]2CCC3(CC2)c2ccccc2CN3C(=O)OC(C)(C)C)CC1 ZINC001256214915 1041653178 /nfs/dbraw/zinc/65/31/78/1041653178.db2.gz MTOXKFPKDMCAOP-UHFFFAOYSA-N 2 2 385.552 3.823 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001236322319 1041671248 /nfs/dbraw/zinc/67/12/48/1041671248.db2.gz XFMKYBLMZBCOQB-GUYCJALGSA-N 2 2 380.870 3.510 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001236322319 1041671252 /nfs/dbraw/zinc/67/12/52/1041671252.db2.gz XFMKYBLMZBCOQB-GUYCJALGSA-N 2 2 380.870 3.510 20 0 GHADLP COC(=O)c1ccc2c(C[N@H+](Cc3ccccc3F)C3CC[NH2+]CC3)c[nH]c2c1 ZINC001236371006 1041685086 /nfs/dbraw/zinc/68/50/86/1041685086.db2.gz KJUFQXLXXYTQRX-UHFFFAOYSA-N 2 2 395.478 3.848 20 0 GHADLP COC(=O)c1ccc2c(C[N@@H+](Cc3ccccc3F)C3CC[NH2+]CC3)c[nH]c2c1 ZINC001236371006 1041685091 /nfs/dbraw/zinc/68/50/91/1041685091.db2.gz KJUFQXLXXYTQRX-UHFFFAOYSA-N 2 2 395.478 3.848 20 0 GHADLP COc1ccc(C[N@H+](Cc2cc(F)c(F)c(OC)c2)C2CC[NH2+]CC2)cc1 ZINC001236445687 1041716077 /nfs/dbraw/zinc/71/60/77/1041716077.db2.gz BXZQHNFGGAZDSL-UHFFFAOYSA-N 2 2 376.447 3.736 20 0 GHADLP COc1ccc(C[N@@H+](Cc2cc(F)c(F)c(OC)c2)C2CC[NH2+]CC2)cc1 ZINC001236445687 1041716085 /nfs/dbraw/zinc/71/60/85/1041716085.db2.gz BXZQHNFGGAZDSL-UHFFFAOYSA-N 2 2 376.447 3.736 20 0 GHADLP CCOc1cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc(Br)c1O ZINC001236478093 1041732819 /nfs/dbraw/zinc/73/28/19/1041732819.db2.gz XQQNGRFRPXXEBX-OAHLLOKOSA-N 2 2 385.346 3.763 20 0 GHADLP CCOc1cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc(Br)c1O ZINC001236478093 1041732821 /nfs/dbraw/zinc/73/28/21/1041732821.db2.gz XQQNGRFRPXXEBX-OAHLLOKOSA-N 2 2 385.346 3.763 20 0 GHADLP COc1ccc(CN(Cc2c[nH+]c3ccc(C)cn23)C2CC[NH2+]CC2)cc1F ZINC001236515295 1041748905 /nfs/dbraw/zinc/74/89/05/1041748905.db2.gz GZERCZMYGOLYHE-UHFFFAOYSA-N 2 2 382.483 3.545 20 0 GHADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3ccc(F)c(F)c3Cl)C2)C1 ZINC001278935945 1041749645 /nfs/dbraw/zinc/74/96/45/1041749645.db2.gz VQUZLUAONHEGFN-HXUWFJFHSA-N 2 2 385.930 3.858 20 0 GHADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3ccc(F)c(F)c3Cl)C2)C1 ZINC001278935945 1041749652 /nfs/dbraw/zinc/74/96/52/1041749652.db2.gz VQUZLUAONHEGFN-HXUWFJFHSA-N 2 2 385.930 3.858 20 0 GHADLP FC(F)(F)c1cccc([C@@H]2C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)c1 ZINC001236605979 1041777176 /nfs/dbraw/zinc/77/71/76/1041777176.db2.gz YBGJVAZGXCFVLF-KRWDZBQOSA-N 2 2 382.451 3.986 20 0 GHADLP FC(F)(F)c1cccc([C@@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)c1 ZINC001236605979 1041777184 /nfs/dbraw/zinc/77/71/84/1041777184.db2.gz YBGJVAZGXCFVLF-KRWDZBQOSA-N 2 2 382.451 3.986 20 0 GHADLP CC(C)c1cc(Br)cc(CN2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c1 ZINC001236622062 1041787407 /nfs/dbraw/zinc/78/74/07/1041787407.db2.gz NKZVOMXCDAGCII-SFHVURJKSA-N 2 2 380.374 3.570 20 0 GHADLP CSc1ncc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)c(NC2CCCC2)n1 ZINC001236634749 1041795864 /nfs/dbraw/zinc/79/58/64/1041795864.db2.gz WWMRDVHTQIWHST-UHFFFAOYSA-N 2 2 375.586 3.660 20 0 GHADLP CSc1ncc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c(NC2CCCC2)n1 ZINC001236634749 1041795867 /nfs/dbraw/zinc/79/58/67/1041795867.db2.gz WWMRDVHTQIWHST-UHFFFAOYSA-N 2 2 375.586 3.660 20 0 GHADLP COc1ccc2sc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)cc2c1 ZINC001236656367 1041807289 /nfs/dbraw/zinc/80/72/89/1041807289.db2.gz BEUFEDJECVQLEG-RTBURBONSA-N 2 2 379.529 3.869 20 0 GHADLP CC(C)Oc1ncnc2c1CC[N@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)CC2 ZINC001236905016 1041948366 /nfs/dbraw/zinc/94/83/66/1041948366.db2.gz XSAFZCJUTNAKCI-UHFFFAOYSA-N 2 2 397.910 3.704 20 0 GHADLP CC(C)Oc1ncnc2c1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)CC2 ZINC001236905016 1041948368 /nfs/dbraw/zinc/94/83/68/1041948368.db2.gz XSAFZCJUTNAKCI-UHFFFAOYSA-N 2 2 397.910 3.704 20 0 GHADLP F[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@H]1[NH+]1CCCCC1 ZINC001236908974 1041951893 /nfs/dbraw/zinc/95/18/93/1041951893.db2.gz LAMKOBNEDPGDKM-AZUAARDMSA-N 2 2 376.907 3.924 20 0 GHADLP CCOC(=O)N1CCC([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236917790 1041957286 /nfs/dbraw/zinc/95/72/86/1041957286.db2.gz VSLXYHYKGQDQLG-UHFFFAOYSA-N 2 2 376.888 3.578 20 0 GHADLP CCOC(=O)N1CCC([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236917790 1041957287 /nfs/dbraw/zinc/95/72/87/1041957287.db2.gz VSLXYHYKGQDQLG-UHFFFAOYSA-N 2 2 376.888 3.578 20 0 GHADLP CN1c2ccccc2[C@@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)C1=O ZINC001236924160 1041960858 /nfs/dbraw/zinc/96/08/58/1041960858.db2.gz ZVPZIODUNSAYAQ-QFIPXVFZSA-N 2 2 392.890 3.646 20 0 GHADLP CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)C1=O ZINC001236924160 1041960860 /nfs/dbraw/zinc/96/08/60/1041960860.db2.gz ZVPZIODUNSAYAQ-QFIPXVFZSA-N 2 2 392.890 3.646 20 0 GHADLP Cc1ccc(-c2cncc(C[N@H+]3CCc4[nH+]cc(Cn5cccn5)n4CC3)c2)cc1 ZINC001236994698 1041981954 /nfs/dbraw/zinc/98/19/54/1041981954.db2.gz NNWQNIYQHWEZQQ-UHFFFAOYSA-N 2 2 398.514 3.557 20 0 GHADLP Cc1ccc(-c2cncc(C[N@@H+]3CCc4[nH+]cc(Cn5cccn5)n4CC3)c2)cc1 ZINC001236994698 1041981957 /nfs/dbraw/zinc/98/19/57/1041981957.db2.gz NNWQNIYQHWEZQQ-UHFFFAOYSA-N 2 2 398.514 3.557 20 0 GHADLP COCC[N@H+](Cc1ccc2ncc(Br)cc2c1)C1CC[NH+](C)CC1 ZINC001237165635 1042074041 /nfs/dbraw/zinc/07/40/41/1042074041.db2.gz AESKPGJBAFRMCS-UHFFFAOYSA-N 2 2 392.341 3.540 20 0 GHADLP COCC[N@@H+](Cc1ccc2ncc(Br)cc2c1)C1CC[NH+](C)CC1 ZINC001237165635 1042074045 /nfs/dbraw/zinc/07/40/45/1042074045.db2.gz AESKPGJBAFRMCS-UHFFFAOYSA-N 2 2 392.341 3.540 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCN(c2ccc(F)c(Cl)c2Cl)CC1 ZINC001237192027 1042087324 /nfs/dbraw/zinc/08/73/24/1042087324.db2.gz RSCWXUMYMUKVJX-NEPJUHHUSA-N 2 2 396.284 3.745 20 0 GHADLP O=C1N(CCn2cc[nH+]c2)CC[C@@]12CCC[N@H+](Cc1ccsc1Cl)CC2 ZINC001278070177 1042094820 /nfs/dbraw/zinc/09/48/20/1042094820.db2.gz HWRXQZBTVQKCQD-IBGZPJMESA-N 2 2 392.956 3.503 20 0 GHADLP Clc1ccc2c(c1)[C@H]1C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC[C@@H]1N2 ZINC001237233828 1042099677 /nfs/dbraw/zinc/09/96/77/1042099677.db2.gz LROXPMYDJCQJNV-GGAORHGYSA-N 2 2 397.950 3.956 20 0 GHADLP Clc1ccc2c(c1)[C@H]1C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC[C@@H]1N2 ZINC001237233828 1042099686 /nfs/dbraw/zinc/09/96/86/1042099686.db2.gz LROXPMYDJCQJNV-GGAORHGYSA-N 2 2 397.950 3.956 20 0 GHADLP CCOC(=O)c1csc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001237354727 1042165302 /nfs/dbraw/zinc/16/53/02/1042165302.db2.gz IRKIGCPBJSTMHT-RBUKOAKNSA-N 2 2 399.560 3.664 20 0 GHADLP CCOC(=O)c1csc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001237354727 1042165305 /nfs/dbraw/zinc/16/53/05/1042165305.db2.gz IRKIGCPBJSTMHT-RBUKOAKNSA-N 2 2 399.560 3.664 20 0 GHADLP CCOC(=O)c1csc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001237354727 1042165310 /nfs/dbraw/zinc/16/53/10/1042165310.db2.gz IRKIGCPBJSTMHT-RBUKOAKNSA-N 2 2 399.560 3.664 20 0 GHADLP CCOC(=O)c1csc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001237354727 1042165315 /nfs/dbraw/zinc/16/53/15/1042165315.db2.gz IRKIGCPBJSTMHT-RBUKOAKNSA-N 2 2 399.560 3.664 20 0 GHADLP c1ccc(COc2cc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc3c2OCO3)cc1 ZINC001237411566 1042197302 /nfs/dbraw/zinc/19/73/02/1042197302.db2.gz GUZZYXODQLLLIX-UXHICEINSA-N 2 2 380.488 3.568 20 0 GHADLP c1ccc(COc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc3c2OCO3)cc1 ZINC001237411566 1042197307 /nfs/dbraw/zinc/19/73/07/1042197307.db2.gz GUZZYXODQLLLIX-UXHICEINSA-N 2 2 380.488 3.568 20 0 GHADLP C[C@@H]([NH2+]C(CCc1ccccc1)CCc1ccccc1)[C@H]1C[N@H+](C)CCN1C ZINC001462596859 1070402140 /nfs/dbraw/zinc/40/21/40/1070402140.db2.gz SDIHWQLZFFRVJB-PXDATVDWSA-N 2 2 379.592 3.845 20 0 GHADLP C[C@@H]([NH2+]C(CCc1ccccc1)CCc1ccccc1)[C@H]1C[N@@H+](C)CCN1C ZINC001462596859 1070402147 /nfs/dbraw/zinc/40/21/47/1070402147.db2.gz SDIHWQLZFFRVJB-PXDATVDWSA-N 2 2 379.592 3.845 20 0 GHADLP Cc1nc(C[NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)ccc1F ZINC001237819958 1042384908 /nfs/dbraw/zinc/38/49/08/1042384908.db2.gz NHTWKGWYPGKKKG-UHFFFAOYSA-N 2 2 375.245 3.539 20 0 GHADLP CC(C)Oc1cccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1F ZINC001238423741 1042592029 /nfs/dbraw/zinc/59/20/29/1042592029.db2.gz ZCEWTLKJKYTYGG-NFBKMPQASA-N 2 2 390.543 3.793 20 0 GHADLP CC(C)Oc1cccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1F ZINC001238423741 1042592034 /nfs/dbraw/zinc/59/20/34/1042592034.db2.gz ZCEWTLKJKYTYGG-NFBKMPQASA-N 2 2 390.543 3.793 20 0 GHADLP CC(C)Oc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c1F ZINC001238423741 1042592038 /nfs/dbraw/zinc/59/20/38/1042592038.db2.gz ZCEWTLKJKYTYGG-NFBKMPQASA-N 2 2 390.543 3.793 20 0 GHADLP CC(C)Oc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c1F ZINC001238423741 1042592043 /nfs/dbraw/zinc/59/20/43/1042592043.db2.gz ZCEWTLKJKYTYGG-NFBKMPQASA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)c(OC(C)C)c1)C2 ZINC001238458569 1042602592 /nfs/dbraw/zinc/60/25/92/1042602592.db2.gz RVAQAKSEMUFVGO-OFNKIYASSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)c(OC(C)C)c1)C2 ZINC001238458569 1042602595 /nfs/dbraw/zinc/60/25/95/1042602595.db2.gz RVAQAKSEMUFVGO-OFNKIYASSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(F)c(OC(C)C)c1)C2 ZINC001238458569 1042602596 /nfs/dbraw/zinc/60/25/96/1042602596.db2.gz RVAQAKSEMUFVGO-OFNKIYASSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(F)c(OC(C)C)c1)C2 ZINC001238458569 1042602598 /nfs/dbraw/zinc/60/25/98/1042602598.db2.gz RVAQAKSEMUFVGO-OFNKIYASSA-N 2 2 390.543 3.793 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(C(=O)NC4CCCCC4)cc3)c2)C1 ZINC001239918987 1042863250 /nfs/dbraw/zinc/86/32/50/1042863250.db2.gz QZNCZSLXAZCJOE-JOCHJYFZSA-N 2 2 377.532 3.949 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(C(=O)NC4CCCCC4)cc3)c2)C1 ZINC001239918987 1042863256 /nfs/dbraw/zinc/86/32/56/1042863256.db2.gz QZNCZSLXAZCJOE-JOCHJYFZSA-N 2 2 377.532 3.949 20 0 GHADLP CC1CCN(C(=O)c2ccc(-c3cccc(C[N@@H+]4CC[C@H]([NH3+])C4)c3)cc2)CC1 ZINC001240043469 1042874885 /nfs/dbraw/zinc/87/48/85/1042874885.db2.gz BNKYDILCGTXXIP-QHCPKHFHSA-N 2 2 377.532 3.759 20 0 GHADLP CC1CCN(C(=O)c2ccc(-c3cccc(C[N@H+]4CC[C@H]([NH3+])C4)c3)cc2)CC1 ZINC001240043469 1042874889 /nfs/dbraw/zinc/87/48/89/1042874889.db2.gz BNKYDILCGTXXIP-QHCPKHFHSA-N 2 2 377.532 3.759 20 0 GHADLP c1cc(-c2ccc(OCC[NH+]3CCOCC3)cc2)cc2c1CCC21CC[NH2+]CC1 ZINC001240449309 1042930461 /nfs/dbraw/zinc/93/04/61/1042930461.db2.gz FNVDXMKZPQJPNQ-UHFFFAOYSA-N 2 2 392.543 3.632 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(N3CC[NH+](C)CC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256524883 1043450661 /nfs/dbraw/zinc/45/06/61/1043450661.db2.gz ZTDXWVCYFYONAW-XUZZJYLKSA-N 3 2 392.591 3.581 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(N3CC[NH+](C)CC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001256524883 1043450668 /nfs/dbraw/zinc/45/06/68/1043450668.db2.gz ZTDXWVCYFYONAW-XUZZJYLKSA-N 3 2 392.591 3.581 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CCO2 ZINC001256537591 1043483637 /nfs/dbraw/zinc/48/36/37/1043483637.db2.gz OOGIMNVLGRBFCQ-PIPMEXSNSA-N 2 2 394.515 3.940 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CCO2 ZINC001256537591 1043483645 /nfs/dbraw/zinc/48/36/45/1043483645.db2.gz OOGIMNVLGRBFCQ-PIPMEXSNSA-N 2 2 394.515 3.940 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256541242 1043490731 /nfs/dbraw/zinc/49/07/31/1043490731.db2.gz IMPCRDUQUXBUFO-PZJWPPBQSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256541242 1043490745 /nfs/dbraw/zinc/49/07/45/1043490745.db2.gz IMPCRDUQUXBUFO-PZJWPPBQSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1C[C@H]([N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC001256541242 1043490753 /nfs/dbraw/zinc/49/07/53/1043490753.db2.gz IMPCRDUQUXBUFO-PZJWPPBQSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1C[C@H]([N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC001256541242 1043490766 /nfs/dbraw/zinc/49/07/66/1043490766.db2.gz IMPCRDUQUXBUFO-PZJWPPBQSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CC(CN(C)C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256544212 1043500706 /nfs/dbraw/zinc/50/07/06/1043500706.db2.gz XQJDFLWSJJVMOY-WIYYLYMNSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CC(CN(C)C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256544212 1043500712 /nfs/dbraw/zinc/50/07/12/1043500712.db2.gz XQJDFLWSJJVMOY-WIYYLYMNSA-N 2 2 387.568 3.838 20 0 GHADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)CC1 ZINC001256574667 1043548199 /nfs/dbraw/zinc/54/81/99/1043548199.db2.gz ZMRJUWOYGKOCEZ-WMZHIEFXSA-N 2 2 387.568 3.594 20 0 GHADLP CC(C)(C)[NH+]1CCC([N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)CC1 ZINC001256574667 1043548206 /nfs/dbraw/zinc/54/82/06/1043548206.db2.gz ZMRJUWOYGKOCEZ-WMZHIEFXSA-N 2 2 387.568 3.594 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@]3(CCN(C4CC[NH+](Cc5ccncc5)CC4)C3)C2)cc1 ZINC001256592566 1043558965 /nfs/dbraw/zinc/55/89/65/1043558965.db2.gz GTVUKIZNDMIIHM-RUZDIDTESA-N 2 2 390.575 3.644 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@]3(CCN(C4CC[NH+](Cc5ccncc5)CC4)C3)C2)cc1 ZINC001256592566 1043558971 /nfs/dbraw/zinc/55/89/71/1043558971.db2.gz GTVUKIZNDMIIHM-RUZDIDTESA-N 2 2 390.575 3.644 20 0 GHADLP COc1ccccc1C1([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC001256602043 1043566074 /nfs/dbraw/zinc/56/60/74/1043566074.db2.gz NWSKJJNJSAACQO-UHFFFAOYSA-N 2 2 380.532 3.955 20 0 GHADLP CC1(C)[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC[C@@]12c1ccccc1OC2=O ZINC001256613857 1043577601 /nfs/dbraw/zinc/57/76/01/1043577601.db2.gz XDMBRLJWBRGBAF-VWLOTQADSA-N 2 2 390.527 3.992 20 0 GHADLP CC1(C)[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC[C@@]12c1ccccc1OC2=O ZINC001256613857 1043577606 /nfs/dbraw/zinc/57/76/06/1043577606.db2.gz XDMBRLJWBRGBAF-VWLOTQADSA-N 2 2 390.527 3.992 20 0 GHADLP COc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCc3c(cccc3OC)C2)CC1 ZINC001256633394 1043584881 /nfs/dbraw/zinc/58/48/81/1043584881.db2.gz GIGLDWYGORRYSE-NRFANRHFSA-N 2 2 380.532 3.815 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256865669 1043710250 /nfs/dbraw/zinc/71/02/50/1043710250.db2.gz PJZKSLPUCHSYGT-UHFFFAOYSA-N 3 2 382.527 3.786 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256865669 1043710263 /nfs/dbraw/zinc/71/02/63/1043710263.db2.gz PJZKSLPUCHSYGT-UHFFFAOYSA-N 3 2 382.527 3.786 20 0 GHADLP COCC[N@H+](C)[C@H](CN[C@H]1CCC[NH+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC001256910768 1043736256 /nfs/dbraw/zinc/73/62/56/1043736256.db2.gz DVJGREZIUNMMKI-RBBKRZOGSA-N 2 2 394.003 3.956 20 0 GHADLP COCC[N@@H+](C)[C@H](CN[C@H]1CCC[NH+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC001256910768 1043736270 /nfs/dbraw/zinc/73/62/70/1043736270.db2.gz DVJGREZIUNMMKI-RBBKRZOGSA-N 2 2 394.003 3.956 20 0 GHADLP COCC[NH+](C)[C@H](CN[C@H]1CCC[N@@H+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC001256910768 1043736275 /nfs/dbraw/zinc/73/62/75/1043736275.db2.gz DVJGREZIUNMMKI-RBBKRZOGSA-N 2 2 394.003 3.956 20 0 GHADLP COCC[NH+](C)[C@H](CN[C@H]1CCC[N@H+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC001256910768 1043736289 /nfs/dbraw/zinc/73/62/89/1043736289.db2.gz DVJGREZIUNMMKI-RBBKRZOGSA-N 2 2 394.003 3.956 20 0 GHADLP C[C@@H]1CC([NH2+]C[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)C[C@@H](C)O1 ZINC001257079076 1043834344 /nfs/dbraw/zinc/83/43/44/1043834344.db2.gz WXKQHAOXLFCNSX-YOSAUDMPSA-N 2 2 382.548 3.595 20 0 GHADLP Cc1[nH+]cn([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)c1CSCC[NH3+] ZINC001257173185 1043916535 /nfs/dbraw/zinc/91/65/35/1043916535.db2.gz DNIGTXOJFKRNQK-DLBZAZTESA-N 2 2 396.601 3.980 20 0 GHADLP CCC[C@@H](CC)n1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001257254859 1043946917 /nfs/dbraw/zinc/94/69/17/1043946917.db2.gz VTJJQBYYOMNJDJ-APWZRJJASA-N 2 2 396.491 3.558 20 0 GHADLP c1cn(Cc2noc3c2C[N@H+](C2CCC(OCc4ccccc4)CC2)CC3)c[nH+]1 ZINC001257831306 1044209625 /nfs/dbraw/zinc/20/96/25/1044209625.db2.gz UTEGRTVVUCGNNN-UHFFFAOYSA-N 2 2 392.503 3.806 20 0 GHADLP c1cn(Cc2noc3c2C[N@@H+](C2CCC(OCc4ccccc4)CC2)CC3)c[nH+]1 ZINC001257831306 1044209630 /nfs/dbraw/zinc/20/96/30/1044209630.db2.gz UTEGRTVVUCGNNN-UHFFFAOYSA-N 2 2 392.503 3.806 20 0 GHADLP Cc1[nH+]cn([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)c1CC[NH3+] ZINC001257974708 1044298294 /nfs/dbraw/zinc/29/82/94/1044298294.db2.gz ZCSSCWGQVGZCSB-WOJBJXKFSA-N 2 2 398.551 3.876 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](C3CCC(c4ccccc4)CC3)C2)C1 ZINC001257996897 1044324831 /nfs/dbraw/zinc/32/48/31/1044324831.db2.gz MDIYICFCFUDHAS-VHYCJAOWSA-N 2 2 386.580 3.774 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](C3CCC(c4ccccc4)CC3)C2)C1 ZINC001257996897 1044324848 /nfs/dbraw/zinc/32/48/48/1044324848.db2.gz MDIYICFCFUDHAS-VHYCJAOWSA-N 2 2 386.580 3.774 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](C3CCC(c4ccccc4)CC3)C2)C1 ZINC001257996897 1044324863 /nfs/dbraw/zinc/32/48/63/1044324863.db2.gz MDIYICFCFUDHAS-VHYCJAOWSA-N 2 2 386.580 3.774 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](C3CCC(c4ccccc4)CC3)C2)C1 ZINC001257996897 1044324878 /nfs/dbraw/zinc/32/48/78/1044324878.db2.gz MDIYICFCFUDHAS-VHYCJAOWSA-N 2 2 386.580 3.774 20 0 GHADLP FC1(F)CN(C2CC[NH+](CCc3ccccc3)CC2)CC[C@H]1[NH+]1CCCCC1 ZINC001258149690 1044439921 /nfs/dbraw/zinc/43/99/21/1044439921.db2.gz PHEPQOXMEMHZKQ-JOCHJYFZSA-N 2 2 391.550 3.889 20 0 GHADLP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001294047476 1044445414 /nfs/dbraw/zinc/44/54/14/1044445414.db2.gz KZPMPKULENWEDF-HYBUGGRVSA-N 2 2 391.559 3.729 20 0 GHADLP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001294047476 1044445424 /nfs/dbraw/zinc/44/54/24/1044445424.db2.gz KZPMPKULENWEDF-HYBUGGRVSA-N 2 2 391.559 3.729 20 0 GHADLP CSC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258328866 1044507824 /nfs/dbraw/zinc/50/78/24/1044507824.db2.gz ZPWWSJJYFZPVCJ-AEFFLSMTSA-N 2 2 399.645 3.970 20 0 GHADLP CCCCC[C@H](CC)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001258442010 1044567145 /nfs/dbraw/zinc/56/71/45/1044567145.db2.gz BJEZHUKVIILJHT-NRFANRHFSA-N 3 2 378.649 3.522 20 0 GHADLP COc1cc(C[C@H](C)N(c2ccc(C)c[nH+]2)C2CC[NH2+]CC2)cc(OC)c1OC ZINC001258876320 1044821806 /nfs/dbraw/zinc/82/18/06/1044821806.db2.gz KMWWOUQVYBEVGW-KRWDZBQOSA-N 2 2 399.535 3.605 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551734874 1044959796 /nfs/dbraw/zinc/95/97/96/1044959796.db2.gz OWPIKXMUZALIPR-ZXGKGEBGSA-N 2 2 386.580 3.539 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551734874 1044959799 /nfs/dbraw/zinc/95/97/99/1044959799.db2.gz OWPIKXMUZALIPR-ZXGKGEBGSA-N 2 2 386.580 3.539 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[NH+]2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551734874 1044959805 /nfs/dbraw/zinc/95/98/05/1044959805.db2.gz OWPIKXMUZALIPR-ZXGKGEBGSA-N 2 2 386.580 3.539 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[NH+]2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551734874 1044959806 /nfs/dbraw/zinc/95/98/06/1044959806.db2.gz OWPIKXMUZALIPR-ZXGKGEBGSA-N 2 2 386.580 3.539 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)NCC(C)(C)n1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC001301547861 1046592110 /nfs/dbraw/zinc/59/21/10/1046592110.db2.gz MUUXBLZPEWLCJQ-KRWDZBQOSA-N 2 2 396.457 3.836 20 0 GHADLP CCC[NH+]1CCC([NH2+][C@H](CC(=O)OC)c2cccc(Br)c2)CC1 ZINC000589204420 1047167667 /nfs/dbraw/zinc/16/76/67/1047167667.db2.gz JPTQOEZEFKKNEV-QGZVFWFLSA-N 2 2 383.330 3.517 20 0 GHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H]3CN(C4CCCCC4)C(=O)O3)C2)CC1 ZINC001307440818 1049277220 /nfs/dbraw/zinc/27/72/20/1049277220.db2.gz TYJAYRHOVMAFFN-TZIWHRDSSA-N 2 2 377.573 3.584 20 0 GHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3CN(C4CCCCC4)C(=O)O3)C2)CC1 ZINC001307440818 1049277224 /nfs/dbraw/zinc/27/72/24/1049277224.db2.gz TYJAYRHOVMAFFN-TZIWHRDSSA-N 2 2 377.573 3.584 20 0 GHADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC001307555745 1049398620 /nfs/dbraw/zinc/39/86/20/1049398620.db2.gz OJBSUXFFIFTPTF-KRWDZBQOSA-N 2 2 389.490 3.788 20 0 GHADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC001307723687 1049537702 /nfs/dbraw/zinc/53/77/02/1049537702.db2.gz MMQOELATANKDHK-NRFANRHFSA-N 2 2 381.520 3.983 20 0 GHADLP Cc1[nH]c(C2CC[NH+](CC(=O)NC[C@H](c3ccccc3)C(C)C)CC2)[nH+]c1C ZINC001308083409 1049829029 /nfs/dbraw/zinc/82/90/29/1049829029.db2.gz SMJGIOCTMFFJBL-NRFANRHFSA-N 2 2 382.552 3.762 20 0 GHADLP COc1cc(C[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)ccc1Cl ZINC001308188206 1049905868 /nfs/dbraw/zinc/90/58/68/1049905868.db2.gz AVBPZVCDKJXYLA-UHFFFAOYSA-N 2 2 387.955 3.959 20 0 GHADLP CN(C)c1ccc(F)cc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001308207147 1049912484 /nfs/dbraw/zinc/91/24/84/1049912484.db2.gz CXBDAORUQZOTSR-UHFFFAOYSA-N 2 2 398.570 3.579 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)[NH+]1CCC[C@@H](C)C1 ZINC001290900179 1049948497 /nfs/dbraw/zinc/94/84/97/1049948497.db2.gz RIAGUNQDQDZIRQ-UWVAXJGDSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)[NH+]1CCC[C@@H](C)C1 ZINC001290900179 1049948499 /nfs/dbraw/zinc/94/84/99/1049948499.db2.gz RIAGUNQDQDZIRQ-UWVAXJGDSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001290900179 1049948502 /nfs/dbraw/zinc/94/85/02/1049948502.db2.gz RIAGUNQDQDZIRQ-UWVAXJGDSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001290900179 1049948506 /nfs/dbraw/zinc/94/85/06/1049948506.db2.gz RIAGUNQDQDZIRQ-UWVAXJGDSA-N 2 2 377.960 3.541 20 0 GHADLP CC1(C)CCCN(CC[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)C1 ZINC001308385367 1049963802 /nfs/dbraw/zinc/96/38/02/1049963802.db2.gz OBPKHOGIBOHVMR-UHFFFAOYSA-N 2 2 390.959 3.827 20 0 GHADLP C[C@H](O)[C@H]([NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1ccccc1 ZINC001308478956 1049985179 /nfs/dbraw/zinc/98/51/79/1049985179.db2.gz WYIDXQKCDHYDGY-KKSFZXQISA-N 2 2 385.895 3.827 20 0 GHADLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(F)cc1Br ZINC001308480029 1049985571 /nfs/dbraw/zinc/98/55/71/1049985571.db2.gz YNWNDRYZLHEXLX-CQSZACIVSA-N 2 2 385.321 3.808 20 0 GHADLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(F)cc1Br ZINC001308480029 1049985575 /nfs/dbraw/zinc/98/55/75/1049985575.db2.gz YNWNDRYZLHEXLX-CQSZACIVSA-N 2 2 385.321 3.808 20 0 GHADLP Cc1cccnc1[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(C)(C)C ZINC001308543496 1050004139 /nfs/dbraw/zinc/00/41/39/1050004139.db2.gz HWXRGBWKBGFTJW-QHCPKHFHSA-N 2 2 397.563 3.978 20 0 GHADLP Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001308598389 1050026620 /nfs/dbraw/zinc/02/66/20/1050026620.db2.gz OUAGNAQJILBYHZ-REWPJTCUSA-N 2 2 381.568 3.890 20 0 GHADLP Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001308598389 1050026627 /nfs/dbraw/zinc/02/66/27/1050026627.db2.gz OUAGNAQJILBYHZ-REWPJTCUSA-N 2 2 381.568 3.890 20 0 GHADLP Cn1cnnc1[C@@H]1CCC[NH+]1C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001308598389 1050026631 /nfs/dbraw/zinc/02/66/31/1050026631.db2.gz OUAGNAQJILBYHZ-REWPJTCUSA-N 2 2 381.568 3.890 20 0 GHADLP Cn1cnnc1[C@@H]1CCC[NH+]1C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001308598389 1050026636 /nfs/dbraw/zinc/02/66/36/1050026636.db2.gz OUAGNAQJILBYHZ-REWPJTCUSA-N 2 2 381.568 3.890 20 0 GHADLP CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001327973177 1050341249 /nfs/dbraw/zinc/34/12/49/1050341249.db2.gz SXULHNZIQLPWNR-CQSZACIVSA-N 2 2 387.484 3.550 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC001328598333 1050555873 /nfs/dbraw/zinc/55/58/73/1050555873.db2.gz OIKGHEQWAMGFRF-SFHVURJKSA-N 2 2 376.504 3.857 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC001328598333 1050555886 /nfs/dbraw/zinc/55/58/86/1050555886.db2.gz OIKGHEQWAMGFRF-SFHVURJKSA-N 2 2 376.504 3.857 20 0 GHADLP CC(C)C[N@H+](C)CCCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001310682977 1051530463 /nfs/dbraw/zinc/53/04/63/1051530463.db2.gz JLVCJEBVQPQHAN-UHFFFAOYSA-N 2 2 383.540 3.986 20 0 GHADLP CC(C)C[N@@H+](C)CCCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001310682977 1051530472 /nfs/dbraw/zinc/53/04/72/1051530472.db2.gz JLVCJEBVQPQHAN-UHFFFAOYSA-N 2 2 383.540 3.986 20 0 GHADLP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC001311048614 1051804779 /nfs/dbraw/zinc/80/47/79/1051804779.db2.gz OCVVRRFCXHTZFE-RBUKOAKNSA-N 2 2 378.586 3.857 20 0 GHADLP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC001311048614 1051804787 /nfs/dbraw/zinc/80/47/87/1051804787.db2.gz OCVVRRFCXHTZFE-RBUKOAKNSA-N 2 2 378.586 3.857 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC001335346369 1052080050 /nfs/dbraw/zinc/08/00/50/1052080050.db2.gz WPVLYGIDGKWDNP-NHCUHLMSSA-N 2 2 399.922 3.525 20 0 GHADLP CC(C)[C@@H](CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC001311391013 1052081791 /nfs/dbraw/zinc/08/17/91/1052081791.db2.gz CEJOUUKWNKNNJY-FGZHOGPDSA-N 2 2 397.567 3.680 20 0 GHADLP CCC[NH+](CCC)CCCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001311856971 1052441207 /nfs/dbraw/zinc/44/12/07/1052441207.db2.gz CBTVTFXWKPIZTO-SFHVURJKSA-N 2 2 380.602 3.648 20 0 GHADLP CCc1ccc([C@H](CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)[NH+](CC)CC)cc1 ZINC001312787323 1052869720 /nfs/dbraw/zinc/86/97/20/1052869720.db2.gz SSDOTLJYMYMQOX-VXKWHMMOSA-N 2 2 397.567 3.875 20 0 GHADLP [NH3+]C1CC[NH+](CCNC(=O)c2cc(Cl)ccc2Sc2ccccc2)CC1 ZINC001344709283 1054689504 /nfs/dbraw/zinc/68/95/04/1054689504.db2.gz YRRJFVFMRYRSNV-UHFFFAOYSA-N 2 2 389.952 3.644 20 0 GHADLP CN(C(=O)c1ccc(-c2ccccc2)s1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001318726579 1054828147 /nfs/dbraw/zinc/82/81/47/1054828147.db2.gz CMJPGOUHJYWBSE-LJQANCHMSA-N 2 2 383.561 3.656 20 0 GHADLP CN(C(=O)c1ccc(-c2ccccc2)s1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001318726579 1054828155 /nfs/dbraw/zinc/82/81/55/1054828155.db2.gz CMJPGOUHJYWBSE-LJQANCHMSA-N 2 2 383.561 3.656 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC001319552476 1055321142 /nfs/dbraw/zinc/32/11/42/1055321142.db2.gz LSLFLIHPDXXCCJ-HXUWFJFHSA-N 2 2 376.504 3.849 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC001319552476 1055321160 /nfs/dbraw/zinc/32/11/60/1055321160.db2.gz LSLFLIHPDXXCCJ-HXUWFJFHSA-N 2 2 376.504 3.849 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1c2ccccc2CC[C@H]1C ZINC001319894825 1055526980 /nfs/dbraw/zinc/52/69/80/1055526980.db2.gz GQWGEXGGMSUGDR-VIZSFHNOSA-N 2 2 378.564 3.723 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1c2ccccc2CC[C@H]1C ZINC001319894825 1055526996 /nfs/dbraw/zinc/52/69/96/1055526996.db2.gz GQWGEXGGMSUGDR-VIZSFHNOSA-N 2 2 378.564 3.723 20 0 GHADLP C[C@@H](c1nc([C@H]2C[NH+]3CCC2CC3)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001321123823 1056106406 /nfs/dbraw/zinc/10/64/06/1056106406.db2.gz MFBBFLMHLIYLCR-UWJYYQICSA-N 2 2 380.536 3.895 20 0 GHADLP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)cc1Cl ZINC001321527929 1056303418 /nfs/dbraw/zinc/30/34/18/1056303418.db2.gz QIXJQEZOGAMGDH-HXUWFJFHSA-N 2 2 386.927 3.790 20 0 GHADLP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)cc1Cl ZINC001321527929 1056303440 /nfs/dbraw/zinc/30/34/40/1056303440.db2.gz QIXJQEZOGAMGDH-HXUWFJFHSA-N 2 2 386.927 3.790 20 0 GHADLP COc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1Br ZINC001322867547 1056872307 /nfs/dbraw/zinc/87/23/07/1056872307.db2.gz GFFIPZBEOKQCDV-UHFFFAOYSA-N 2 2 387.237 3.599 20 0 GHADLP Cc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(C)n1-c1nccs1 ZINC001322870323 1056873933 /nfs/dbraw/zinc/87/39/33/1056873933.db2.gz ZZPBTZZYCSLMEN-UHFFFAOYSA-N 2 2 378.461 3.692 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccccc1OC(F)F ZINC001323992258 1057051484 /nfs/dbraw/zinc/05/14/84/1057051484.db2.gz QGKSZPVXERHRBN-QGZVFWFLSA-N 2 2 389.490 3.886 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(OCC(F)(F)F)nc2)[nH+]1 ZINC001326451265 1057485638 /nfs/dbraw/zinc/48/56/38/1057485638.db2.gz JTNUXDRMASQSGU-MRXNPFEDSA-N 2 2 380.414 3.803 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(OCC(F)(F)F)nc2)[nH+]1 ZINC001326451265 1057485643 /nfs/dbraw/zinc/48/56/43/1057485643.db2.gz JTNUXDRMASQSGU-MRXNPFEDSA-N 2 2 380.414 3.803 20 0 GHADLP CC[C@@H](C)[NH2+][C@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1ccco1 ZINC000849051373 1057561316 /nfs/dbraw/zinc/56/13/16/1057561316.db2.gz IOPHHHBXBJQHJH-CZUORRHYSA-N 2 2 398.429 3.922 20 0 GHADLP [NH2+]=C(NCCc1cccs1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000849054751 1057564931 /nfs/dbraw/zinc/56/49/31/1057564931.db2.gz RKGHHUIFZUXLJD-SFHVURJKSA-N 2 2 376.957 3.895 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1ccco1 ZINC000849090786 1057589804 /nfs/dbraw/zinc/58/98/04/1057589804.db2.gz OLANZDODWBAQNA-INIZCTEOSA-N 2 2 398.429 3.875 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccco1 ZINC001442492132 1058968717 /nfs/dbraw/zinc/96/87/17/1058968717.db2.gz PMCNITOQGHIHDM-MJGOQNOKSA-N 2 2 377.916 3.735 20 0 GHADLP CCOc1ccccc1[C@H]([NH3+])CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC001341697650 1060817297 /nfs/dbraw/zinc/81/72/97/1060817297.db2.gz SOWBJTCTIPZCSZ-LAUBAEHRSA-N 2 2 397.519 3.507 20 0 GHADLP CCNc1cc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC001346578672 1061699246 /nfs/dbraw/zinc/69/92/46/1061699246.db2.gz XKIHRMAQIRQOLY-GHTZIAJQSA-N 2 2 395.551 3.708 20 0 GHADLP CCNc1cc(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC001346578672 1061699265 /nfs/dbraw/zinc/69/92/65/1061699265.db2.gz XKIHRMAQIRQOLY-GHTZIAJQSA-N 2 2 395.551 3.708 20 0 GHADLP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001350337758 1064059209 /nfs/dbraw/zinc/05/92/09/1064059209.db2.gz FEGMNSLTRSQCNK-PEZBUJJGSA-N 2 2 380.479 3.924 20 0 GHADLP CC1(C)C[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1(C)C ZINC001459610011 1064142323 /nfs/dbraw/zinc/14/23/23/1064142323.db2.gz PCKGWEDYZIOEJO-GOSISDBHSA-N 2 2 377.960 3.714 20 0 GHADLP CC1(C)C[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1(C)C ZINC001459610011 1064142325 /nfs/dbraw/zinc/14/23/25/1064142325.db2.gz PCKGWEDYZIOEJO-GOSISDBHSA-N 2 2 377.960 3.714 20 0 GHADLP C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001459616574 1064144610 /nfs/dbraw/zinc/14/46/10/1064144610.db2.gz VIWYYRFOINJNBV-JWQCQUIFSA-N 2 2 393.575 3.878 20 0 GHADLP C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001459616574 1064144620 /nfs/dbraw/zinc/14/46/20/1064144620.db2.gz VIWYYRFOINJNBV-JWQCQUIFSA-N 2 2 393.575 3.878 20 0 GHADLP C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001459616574 1064144628 /nfs/dbraw/zinc/14/46/28/1064144628.db2.gz VIWYYRFOINJNBV-JWQCQUIFSA-N 2 2 393.575 3.878 20 0 GHADLP C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001459616574 1064144634 /nfs/dbraw/zinc/14/46/34/1064144634.db2.gz VIWYYRFOINJNBV-JWQCQUIFSA-N 2 2 393.575 3.878 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cc2)C1 ZINC001464212959 1064910087 /nfs/dbraw/zinc/91/00/87/1064910087.db2.gz QVEHURSQDGCGAZ-IAGOWNOFSA-N 2 2 376.504 3.971 20 0 GHADLP CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC001464380819 1064979976 /nfs/dbraw/zinc/97/99/76/1064979976.db2.gz MHZDFTCDQQELPR-NRFANRHFSA-N 2 2 389.559 3.761 20 0 GHADLP CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC001464380819 1064979980 /nfs/dbraw/zinc/97/99/80/1064979980.db2.gz MHZDFTCDQQELPR-NRFANRHFSA-N 2 2 389.559 3.761 20 0 GHADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2csc(-c3cccs3)n2)c2ccccc2)CC1 ZINC001200046120 1065067796 /nfs/dbraw/zinc/06/77/96/1065067796.db2.gz IWDACDCPBACOJW-LJQANCHMSA-N 2 2 398.601 3.950 20 0 GHADLP C[C@H]1Cc2cc(C[NH2+]CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)ccc2O1 ZINC001200171602 1065467742 /nfs/dbraw/zinc/46/77/42/1065467742.db2.gz CBRWXPRUIOEHQO-SFHVURJKSA-N 2 2 399.966 3.965 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCCCC1CC[NH2+]CC1 ZINC001353561863 1066042322 /nfs/dbraw/zinc/04/23/22/1066042322.db2.gz XNFQVFUXJKBREC-UHFFFAOYSA-N 2 2 386.584 3.707 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C[N@H+](C)CCc2ccccc2)c(C)c1 ZINC001466293724 1066077737 /nfs/dbraw/zinc/07/77/37/1066077737.db2.gz JHEKVXAZZPCZNV-QHCPKHFHSA-N 2 2 390.531 3.532 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C[N@@H+](C)CCc2ccccc2)c(C)c1 ZINC001466293724 1066077750 /nfs/dbraw/zinc/07/77/50/1066077750.db2.gz JHEKVXAZZPCZNV-QHCPKHFHSA-N 2 2 390.531 3.532 20 0 GHADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC001200459988 1066290958 /nfs/dbraw/zinc/29/09/58/1066290958.db2.gz RJDJVLPPBZZKEV-GOSISDBHSA-N 2 2 375.582 3.745 20 0 GHADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001477578623 1078474363 /nfs/dbraw/zinc/47/43/63/1078474363.db2.gz NKRYDZIBUYHEGW-RDGPPVDQSA-N 2 2 392.613 3.503 20 0 GHADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001477578623 1078474360 /nfs/dbraw/zinc/47/43/60/1078474360.db2.gz NKRYDZIBUYHEGW-RDGPPVDQSA-N 2 2 392.613 3.503 20 0 GHADLP Cc1nc(NCc2cccc(C(=O)NC[C@H]3CC[N@@H+]3C3CCCCC3)c2)cc[nH+]1 ZINC000529720259 1067629873 /nfs/dbraw/zinc/62/98/73/1067629873.db2.gz SHAGDFOTNZFJRA-OAQYLSRUSA-N 2 2 393.535 3.534 20 0 GHADLP Cc1nc(NCc2cccc(C(=O)NC[C@H]3CC[N@H+]3C3CCCCC3)c2)cc[nH+]1 ZINC000529720259 1067629876 /nfs/dbraw/zinc/62/98/76/1067629876.db2.gz SHAGDFOTNZFJRA-OAQYLSRUSA-N 2 2 393.535 3.534 20 0 GHADLP CN(C(=O)NCC(C)(C)C1CCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001470197815 1068621285 /nfs/dbraw/zinc/62/12/85/1068621285.db2.gz HROKCJBYFLVYLQ-SFTDATJTSA-N 2 2 392.632 3.791 20 0 GHADLP CN(C(=O)NCC(C)(C)C1CCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001470197815 1068621290 /nfs/dbraw/zinc/62/12/90/1068621290.db2.gz HROKCJBYFLVYLQ-SFTDATJTSA-N 2 2 392.632 3.791 20 0 GHADLP C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001460854148 1069224300 /nfs/dbraw/zinc/22/43/00/1069224300.db2.gz YGPRGZJVPKDYJZ-REHUZNOOSA-N 2 2 380.532 3.869 20 0 GHADLP C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001460854148 1069224315 /nfs/dbraw/zinc/22/43/15/1069224315.db2.gz YGPRGZJVPKDYJZ-REHUZNOOSA-N 2 2 380.532 3.869 20 0 GHADLP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@H](c3ccc(Cl)cc3)[NH+](C)C)C2)c1 ZINC001470713846 1072700563 /nfs/dbraw/zinc/70/05/63/1072700563.db2.gz TXNHMQOTQPVVMK-SFTDATJTSA-N 2 2 385.939 3.642 20 0 GHADLP Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@H](c3ccc(Cl)cc3)[NH+](C)C)C2)c1 ZINC001470713846 1072700567 /nfs/dbraw/zinc/70/05/67/1072700567.db2.gz TXNHMQOTQPVVMK-SFTDATJTSA-N 2 2 385.939 3.642 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC001473127434 1073793777 /nfs/dbraw/zinc/79/37/77/1073793777.db2.gz GKCPZLIAXDOXOP-NFBKMPQASA-N 2 2 385.596 3.965 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC001473127434 1073793786 /nfs/dbraw/zinc/79/37/86/1073793786.db2.gz GKCPZLIAXDOXOP-NFBKMPQASA-N 2 2 385.596 3.965 20 0 GHADLP Cc1cccc(OC[C@@H](O)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C(C)C)c1 ZINC001473185075 1073840530 /nfs/dbraw/zinc/84/05/30/1073840530.db2.gz MDOCVZSQIOSZTI-QFIPXVFZSA-N 2 2 379.504 3.831 20 0 GHADLP Cc1cccc(OC[C@@H](O)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C(C)C)c1 ZINC001473185075 1073840538 /nfs/dbraw/zinc/84/05/38/1073840538.db2.gz MDOCVZSQIOSZTI-QFIPXVFZSA-N 2 2 379.504 3.831 20 0 GHADLP Brc1ccc(Br)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC001473927867 1074207464 /nfs/dbraw/zinc/20/74/64/1074207464.db2.gz JKEWHJXYAQSVBC-LLVKDONJSA-N 2 2 388.147 3.786 20 0 GHADLP Brc1ccc(Br)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC001473927867 1074207468 /nfs/dbraw/zinc/20/74/68/1074207468.db2.gz JKEWHJXYAQSVBC-LLVKDONJSA-N 2 2 388.147 3.786 20 0 GHADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001474068123 1074253194 /nfs/dbraw/zinc/25/31/94/1074253194.db2.gz QGKZQBJXLGJZRY-IAGOWNOFSA-N 2 2 376.850 3.826 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C[C@H](c2ccccc2)C1 ZINC001474155786 1074278873 /nfs/dbraw/zinc/27/88/73/1074278873.db2.gz OPTKXQUEGRVLQJ-ZPOKTZCFSA-N 2 2 378.560 3.968 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C[C@H](c2ccccc2)C1 ZINC001474155786 1074278875 /nfs/dbraw/zinc/27/88/75/1074278875.db2.gz OPTKXQUEGRVLQJ-ZPOKTZCFSA-N 2 2 378.560 3.968 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001654630323 1126254007 /nfs/dbraw/zinc/25/40/07/1126254007.db2.gz VHNLFVVSZJTNKO-UXHICEINSA-N 2 2 389.421 3.805 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736565315 598991557 /nfs/dbraw/zinc/99/15/57/598991557.db2.gz JLCRYXNTNDHUGI-FXAWDEMLSA-N 2 2 390.535 3.838 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736565315 598991558 /nfs/dbraw/zinc/99/15/58/598991558.db2.gz JLCRYXNTNDHUGI-FXAWDEMLSA-N 2 2 390.535 3.838 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736565315 598991559 /nfs/dbraw/zinc/99/15/59/598991559.db2.gz JLCRYXNTNDHUGI-FXAWDEMLSA-N 2 2 390.535 3.838 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736565315 598991560 /nfs/dbraw/zinc/99/15/60/598991560.db2.gz JLCRYXNTNDHUGI-FXAWDEMLSA-N 2 2 390.535 3.838 20 0 GHADLP C[C@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000820727246 599109629 /nfs/dbraw/zinc/10/96/29/599109629.db2.gz JMKCEYDKASKWCJ-KRWDZBQOSA-N 2 2 399.502 3.516 20 0 GHADLP C[C@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000820727246 599109632 /nfs/dbraw/zinc/10/96/32/599109632.db2.gz JMKCEYDKASKWCJ-KRWDZBQOSA-N 2 2 399.502 3.516 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577078 609138057 /nfs/dbraw/zinc/13/80/57/609138057.db2.gz GKPLHNVEGRWGSQ-FUHWJXTLSA-N 2 2 394.498 3.569 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577078 609138059 /nfs/dbraw/zinc/13/80/59/609138059.db2.gz GKPLHNVEGRWGSQ-FUHWJXTLSA-N 2 2 394.498 3.569 20 0 GHADLP Cc1[nH]c2nc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1C ZINC001164698388 719892777 /nfs/dbraw/zinc/89/27/77/719892777.db2.gz SCMWQTSINRJNSG-UHFFFAOYSA-N 2 2 397.548 3.508 20 0 GHADLP Cc1[nH]c2nc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1C ZINC001164698388 719892778 /nfs/dbraw/zinc/89/27/78/719892778.db2.gz SCMWQTSINRJNSG-UHFFFAOYSA-N 2 2 397.548 3.508 20 0 GHADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(C(C)(C)C)[nH+]1 ZINC001164836201 720616367 /nfs/dbraw/zinc/61/63/67/720616367.db2.gz FGIZBGOIRKDGOJ-SLFFLAALSA-N 2 2 396.583 3.657 20 0 GHADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C(C)(C)C)[nH+]1 ZINC001164836201 720616371 /nfs/dbraw/zinc/61/63/71/720616371.db2.gz FGIZBGOIRKDGOJ-SLFFLAALSA-N 2 2 396.583 3.657 20 0 GHADLP Cc1cccc2c(C)cc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)[nH+]c12 ZINC001164762547 721081359 /nfs/dbraw/zinc/08/13/59/721081359.db2.gz FEBOPRIVIXXUKN-UXHICEINSA-N 2 2 375.520 3.543 20 0 GHADLP Cc1cccc2c(C)cc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)[nH+]c12 ZINC001164762547 721081366 /nfs/dbraw/zinc/08/13/66/721081366.db2.gz FEBOPRIVIXXUKN-UXHICEINSA-N 2 2 375.520 3.543 20 0 GHADLP Cc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC001165029053 721826795 /nfs/dbraw/zinc/82/67/95/721826795.db2.gz WRGWMABGIFVJMA-TYPHKJRUSA-N 2 2 377.536 3.794 20 0 GHADLP Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC001165029053 721826796 /nfs/dbraw/zinc/82/67/96/721826796.db2.gz WRGWMABGIFVJMA-TYPHKJRUSA-N 2 2 377.536 3.794 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000180690725 837475950 /nfs/dbraw/zinc/47/59/50/837475950.db2.gz UPXPMYOXGAFELL-XPGWFJOJSA-N 2 2 393.453 3.634 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000180690725 837475957 /nfs/dbraw/zinc/47/59/57/837475957.db2.gz UPXPMYOXGAFELL-XPGWFJOJSA-N 2 2 393.453 3.634 20 0 GHADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)nn1C ZINC000414389140 837591184 /nfs/dbraw/zinc/59/11/84/837591184.db2.gz FFUOHDLQMRPQQO-VQIMIIECSA-N 2 2 380.458 3.920 20 0 GHADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)nn1C ZINC000414389140 837591190 /nfs/dbraw/zinc/59/11/90/837591190.db2.gz FFUOHDLQMRPQQO-VQIMIIECSA-N 2 2 380.458 3.920 20 0 GHADLP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1OC1CCCC1 ZINC000655692813 837677031 /nfs/dbraw/zinc/67/70/31/837677031.db2.gz VJSQVIXPJNJTKW-FXAWDEMLSA-N 2 2 388.552 3.921 20 0 GHADLP COc1cccc(C([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2cccc(OC)c2)c1 ZINC000655719080 837731219 /nfs/dbraw/zinc/73/12/19/837731219.db2.gz PDRCZARTDCFFGJ-OAQYLSRUSA-N 2 2 396.531 3.636 20 0 GHADLP Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683116095 834523955 /nfs/dbraw/zinc/52/39/55/834523955.db2.gz NTYZZMDJPBUGTI-SBHAEUEKSA-N 2 2 383.580 3.603 20 0 GHADLP Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683116095 834523962 /nfs/dbraw/zinc/52/39/62/834523962.db2.gz NTYZZMDJPBUGTI-SBHAEUEKSA-N 2 2 383.580 3.603 20 0 GHADLP Brc1cccc(C2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)c1 ZINC000655744459 837797471 /nfs/dbraw/zinc/79/74/71/837797471.db2.gz ZZYZWEXWKILMRO-SFHVURJKSA-N 2 2 379.342 3.671 20 0 GHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000069172021 834908189 /nfs/dbraw/zinc/90/81/89/834908189.db2.gz NOZPAYCTXXXWNX-HXUWFJFHSA-N 2 2 384.520 3.571 20 0 GHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000069172021 834908197 /nfs/dbraw/zinc/90/81/97/834908197.db2.gz NOZPAYCTXXXWNX-HXUWFJFHSA-N 2 2 384.520 3.571 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1)C[C@@H]1CCCCO1 ZINC000503504681 834950487 /nfs/dbraw/zinc/95/04/87/834950487.db2.gz JMNYQZHLYPMTQW-NRFANRHFSA-N 2 2 384.524 3.761 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1)C[C@@H]1CCCCO1 ZINC000503504681 834950496 /nfs/dbraw/zinc/95/04/96/834950496.db2.gz JMNYQZHLYPMTQW-NRFANRHFSA-N 2 2 384.524 3.761 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1)C[C@@H]1CCCCO1 ZINC000503504681 834950505 /nfs/dbraw/zinc/95/05/05/834950505.db2.gz JMNYQZHLYPMTQW-NRFANRHFSA-N 2 2 384.524 3.761 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1)C[C@@H]1CCCCO1 ZINC000503504681 834950513 /nfs/dbraw/zinc/95/05/13/834950513.db2.gz JMNYQZHLYPMTQW-NRFANRHFSA-N 2 2 384.524 3.761 20 0 GHADLP c1cn(-c2csc(C[NH2+]Cc3cccc(COC[C@H]4CCCO4)c3)c2)c[nH+]1 ZINC000657804854 835230775 /nfs/dbraw/zinc/23/07/75/835230775.db2.gz ZYYOVYAZVDVBQF-HXUWFJFHSA-N 2 2 383.517 3.919 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000685652099 835263541 /nfs/dbraw/zinc/26/35/41/835263541.db2.gz IXHIMWPNHMGORX-HLAWJBBLSA-N 2 2 389.503 3.757 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000685652099 835263550 /nfs/dbraw/zinc/26/35/50/835263550.db2.gz IXHIMWPNHMGORX-HLAWJBBLSA-N 2 2 389.503 3.757 20 0 GHADLP Brc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H]2CCCO2)cc1 ZINC000685662118 835278494 /nfs/dbraw/zinc/27/84/94/835278494.db2.gz FPWPKZYRBMAGMY-JLSDUUJJSA-N 2 2 376.298 3.539 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)c(C)c1 ZINC000584041680 835492346 /nfs/dbraw/zinc/49/23/46/835492346.db2.gz ZMPBKXVKMPAMKL-QFIPXVFZSA-N 2 2 389.503 3.709 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)NC1CC[NH+](C2CC2)CC1 ZINC000278623358 835579994 /nfs/dbraw/zinc/57/99/94/835579994.db2.gz NMJJQFBKZVDPHG-UHFFFAOYSA-N 2 2 379.508 3.635 20 0 GHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000635493990 835682349 /nfs/dbraw/zinc/68/23/49/835682349.db2.gz GBQKLPCWYPWYHW-GOEBONIOSA-N 2 2 382.430 3.622 20 0 GHADLP C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000246043956 835946785 /nfs/dbraw/zinc/94/67/85/835946785.db2.gz PFFQZUORTOEWJI-RBUKOAKNSA-N 2 2 382.556 3.700 20 0 GHADLP C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000246043956 835946791 /nfs/dbraw/zinc/94/67/91/835946791.db2.gz PFFQZUORTOEWJI-RBUKOAKNSA-N 2 2 382.556 3.700 20 0 GHADLP C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000246043963 835947795 /nfs/dbraw/zinc/94/77/95/835947795.db2.gz PFFQZUORTOEWJI-RTBURBONSA-N 2 2 382.556 3.700 20 0 GHADLP C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246043963 835947802 /nfs/dbraw/zinc/94/78/02/835947802.db2.gz PFFQZUORTOEWJI-RTBURBONSA-N 2 2 382.556 3.700 20 0 GHADLP CN(C(=O)c1cc2sccc2[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000430295565 836069398 /nfs/dbraw/zinc/06/93/98/836069398.db2.gz QYCHZRURXMLTSO-OALUTQOASA-N 2 2 388.581 3.639 20 0 GHADLP CN(C(=O)c1cc2sccc2[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000430295565 836069412 /nfs/dbraw/zinc/06/94/12/836069412.db2.gz QYCHZRURXMLTSO-OALUTQOASA-N 2 2 388.581 3.639 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000332695073 836465961 /nfs/dbraw/zinc/46/59/61/836465961.db2.gz XEWGEXZXFHKEFD-SCTDSRPQSA-N 2 2 398.526 3.804 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000332695073 836465965 /nfs/dbraw/zinc/46/59/65/836465965.db2.gz XEWGEXZXFHKEFD-SCTDSRPQSA-N 2 2 398.526 3.804 20 0 GHADLP Cc1cc(C)c(NC(=S)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000066007453 836512296 /nfs/dbraw/zinc/51/22/96/836512296.db2.gz TVFUSEBMSMBMTA-UHFFFAOYSA-N 2 2 383.005 3.611 20 0 GHADLP Cc1cc(C)c(NC(=S)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000066007453 836512298 /nfs/dbraw/zinc/51/22/98/836512298.db2.gz TVFUSEBMSMBMTA-UHFFFAOYSA-N 2 2 383.005 3.611 20 0 GHADLP c1ccc(C[C@@H]2CC[NH+]2CC2(C[N@H+]3CC[C@@H]3Cc3ccccc3)COC2)cc1 ZINC000543859170 836684755 /nfs/dbraw/zinc/68/47/55/836684755.db2.gz MHLOFWXURWSUJQ-PSWAGMNNSA-N 2 2 376.544 3.637 20 0 GHADLP c1ccc(C[C@@H]2CC[NH+]2CC2(C[N@@H+]3CC[C@@H]3Cc3ccccc3)COC2)cc1 ZINC000543859170 836684759 /nfs/dbraw/zinc/68/47/59/836684759.db2.gz MHLOFWXURWSUJQ-PSWAGMNNSA-N 2 2 376.544 3.637 20 0 GHADLP c1ccc(C[C@@H]2CC[N@H+]2CC2(C[NH+]3CC[C@@H]3Cc3ccccc3)COC2)cc1 ZINC000543859170 836684767 /nfs/dbraw/zinc/68/47/67/836684767.db2.gz MHLOFWXURWSUJQ-PSWAGMNNSA-N 2 2 376.544 3.637 20 0 GHADLP c1ccc(C[C@@H]2CC[N@@H+]2CC2(C[NH+]3CC[C@@H]3Cc3ccccc3)COC2)cc1 ZINC000543859170 836684771 /nfs/dbraw/zinc/68/47/71/836684771.db2.gz MHLOFWXURWSUJQ-PSWAGMNNSA-N 2 2 376.544 3.637 20 0 GHADLP C[C@@H](c1ccco1)[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000175678575 836942843 /nfs/dbraw/zinc/94/28/43/836942843.db2.gz PAAACUVLQIQDIB-SFHVURJKSA-N 2 2 381.520 3.717 20 0 GHADLP C[C@@H](c1ccco1)[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000175678575 836942861 /nfs/dbraw/zinc/94/28/61/836942861.db2.gz PAAACUVLQIQDIB-SFHVURJKSA-N 2 2 381.520 3.717 20 0 GHADLP C[C@H](c1ccco1)[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000175678595 836942974 /nfs/dbraw/zinc/94/29/74/836942974.db2.gz PAAACUVLQIQDIB-GOSISDBHSA-N 2 2 381.520 3.717 20 0 GHADLP C[C@H](c1ccco1)[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000175678595 836942981 /nfs/dbraw/zinc/94/29/81/836942981.db2.gz PAAACUVLQIQDIB-GOSISDBHSA-N 2 2 381.520 3.717 20 0 GHADLP CN(C(=O)C1CCC2(CC2)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612961619 837023550 /nfs/dbraw/zinc/02/35/50/837023550.db2.gz ZXIYCDRJBCZJHN-LEWJYISDSA-N 2 2 375.601 3.752 20 0 GHADLP CN(C(=O)C1CCC2(CC2)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612961619 837023564 /nfs/dbraw/zinc/02/35/64/837023564.db2.gz ZXIYCDRJBCZJHN-LEWJYISDSA-N 2 2 375.601 3.752 20 0 GHADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000151840600 838530277 /nfs/dbraw/zinc/53/02/77/838530277.db2.gz FBIIZHAPVIPLCV-DENIHFKCSA-N 2 2 395.551 3.662 20 0 GHADLP O=C(CC[N@H+]1CCC[C@H]1c1ccccc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000053278823 838633394 /nfs/dbraw/zinc/63/33/94/838633394.db2.gz RXOUXDNLFQDALE-FQEVSTJZSA-N 2 2 398.938 3.611 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@H]1c1ccccc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000053278823 838633395 /nfs/dbraw/zinc/63/33/95/838633395.db2.gz RXOUXDNLFQDALE-FQEVSTJZSA-N 2 2 398.938 3.611 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CCCC1)c1ccccc1 ZINC000651338873 838643675 /nfs/dbraw/zinc/64/36/75/838643675.db2.gz RVICUZINVJFYTR-SFHVURJKSA-N 2 2 380.536 3.542 20 0 GHADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000580251721 838731170 /nfs/dbraw/zinc/73/11/70/838731170.db2.gz OSVGYJCTUUTQEQ-UHFFFAOYSA-N 2 2 382.533 3.825 20 0 GHADLP C[NH+](C)[C@H](CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000416220774 838749487 /nfs/dbraw/zinc/74/94/87/838749487.db2.gz AQFFHHVPOOWTRR-PZJWPPBQSA-N 2 2 380.536 3.618 20 0 GHADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000431866069 839052026 /nfs/dbraw/zinc/05/20/26/839052026.db2.gz DQMLVNHMURZHCI-FGZHOGPDSA-N 2 2 397.567 3.631 20 0 GHADLP C[C@@H](CCNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[N@H+](C)Cc1ccccc1 ZINC000472981259 839062004 /nfs/dbraw/zinc/06/20/04/839062004.db2.gz YFKINLPDPGNADW-IBGZPJMESA-N 2 2 391.519 3.582 20 0 GHADLP C[C@@H](CCNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[N@@H+](C)Cc1ccccc1 ZINC000472981259 839062011 /nfs/dbraw/zinc/06/20/11/839062011.db2.gz YFKINLPDPGNADW-IBGZPJMESA-N 2 2 391.519 3.582 20 0 GHADLP Cc1ccccc1[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000363818488 839087851 /nfs/dbraw/zinc/08/78/51/839087851.db2.gz KULYLFFJZMESTB-UNMCSNQZSA-N 2 2 386.584 3.502 20 0 GHADLP Cc1ccccc1[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000363818488 839087854 /nfs/dbraw/zinc/08/78/54/839087854.db2.gz KULYLFFJZMESTB-UNMCSNQZSA-N 2 2 386.584 3.502 20 0 GHADLP Cc1ccccc1CCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124856857 839253554 /nfs/dbraw/zinc/25/35/54/839253554.db2.gz ZYVXCDQLKDBPEU-GOTSBHOMSA-N 2 2 385.596 3.723 20 0 GHADLP Cc1ccccc1CCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124856857 839253560 /nfs/dbraw/zinc/25/35/60/839253560.db2.gz ZYVXCDQLKDBPEU-GOTSBHOMSA-N 2 2 385.596 3.723 20 0 GHADLP C[NH+](CCC[N@@H+](C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)Cc1ccco1 ZINC000796675001 839328702 /nfs/dbraw/zinc/32/87/02/839328702.db2.gz ZKZPWIHJODQLGB-GOSISDBHSA-N 2 2 379.545 3.680 20 0 GHADLP C[NH+](CCC[N@H+](C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)Cc1ccco1 ZINC000796675001 839328714 /nfs/dbraw/zinc/32/87/14/839328714.db2.gz ZKZPWIHJODQLGB-GOSISDBHSA-N 2 2 379.545 3.680 20 0 GHADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000796675001 839328725 /nfs/dbraw/zinc/32/87/25/839328725.db2.gz ZKZPWIHJODQLGB-GOSISDBHSA-N 2 2 379.545 3.680 20 0 GHADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000796675001 839328737 /nfs/dbraw/zinc/32/87/37/839328737.db2.gz ZKZPWIHJODQLGB-GOSISDBHSA-N 2 2 379.545 3.680 20 0 GHADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000472764601 839492474 /nfs/dbraw/zinc/49/24/74/839492474.db2.gz OVAVRLNSGDUNQR-LJQANCHMSA-N 2 2 378.948 3.754 20 0 GHADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000472764601 839492481 /nfs/dbraw/zinc/49/24/81/839492481.db2.gz OVAVRLNSGDUNQR-LJQANCHMSA-N 2 2 378.948 3.754 20 0 GHADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000472764601 839492487 /nfs/dbraw/zinc/49/24/87/839492487.db2.gz OVAVRLNSGDUNQR-LJQANCHMSA-N 2 2 378.948 3.754 20 0 GHADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000472764601 839492492 /nfs/dbraw/zinc/49/24/92/839492492.db2.gz OVAVRLNSGDUNQR-LJQANCHMSA-N 2 2 378.948 3.754 20 0 GHADLP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(C2CC2)cc1 ZINC000416732955 839573002 /nfs/dbraw/zinc/57/30/02/839573002.db2.gz NDJCEVXSFOBMHS-LJQANCHMSA-N 2 2 398.595 3.875 20 0 GHADLP Cc1cc(C)c(NC(=S)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000050254756 839655410 /nfs/dbraw/zinc/65/54/10/839655410.db2.gz AFFCOATUEGZKMB-UHFFFAOYSA-N 2 2 395.016 3.802 20 0 GHADLP O[C@@H](C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)Cc1ccccc1C(F)(F)F ZINC000644519644 839770328 /nfs/dbraw/zinc/77/03/28/839770328.db2.gz FHSSULRPUBZSDJ-LJQANCHMSA-N 2 2 389.421 3.643 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000656261195 839887052 /nfs/dbraw/zinc/88/70/52/839887052.db2.gz FIQLICCJBLQMAM-UHFFFAOYSA-N 2 2 388.313 3.662 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000656261195 839887061 /nfs/dbraw/zinc/88/70/61/839887061.db2.gz FIQLICCJBLQMAM-UHFFFAOYSA-N 2 2 388.313 3.662 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@@H](O)COc1ccc(-c3ccccc3)cc1)CCC2 ZINC000580642429 839949113 /nfs/dbraw/zinc/94/91/13/839949113.db2.gz WBKOUIRJOVFJMG-FGZHOGPDSA-N 2 2 391.515 3.765 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)C2)cc1 ZINC000500402001 840384515 /nfs/dbraw/zinc/38/45/15/840384515.db2.gz YLAAVLLKVAFTGB-QPTUXGOLSA-N 2 2 379.548 3.989 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)C2)cc1 ZINC000500402001 840384522 /nfs/dbraw/zinc/38/45/22/840384522.db2.gz YLAAVLLKVAFTGB-QPTUXGOLSA-N 2 2 379.548 3.989 20 0 GHADLP C[C@@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)Cn1cc[nH+]c1 ZINC000062254473 840480508 /nfs/dbraw/zinc/48/05/08/840480508.db2.gz LFQZYJPQOHGCKH-IBGZPJMESA-N 2 2 386.503 3.616 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)CC1 ZINC000511616920 840709527 /nfs/dbraw/zinc/70/95/27/840709527.db2.gz KTEIQPQWUZQMGW-UHFFFAOYSA-N 2 2 397.538 3.817 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2)CC1 ZINC000511616920 840709541 /nfs/dbraw/zinc/70/95/41/840709541.db2.gz KTEIQPQWUZQMGW-UHFFFAOYSA-N 2 2 397.538 3.817 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1OC ZINC000430544961 840968759 /nfs/dbraw/zinc/96/87/59/840968759.db2.gz AQANXLMJGZYWCL-GDBMZVCRSA-N 2 2 375.538 3.777 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1OC ZINC000430544961 840968768 /nfs/dbraw/zinc/96/87/68/840968768.db2.gz AQANXLMJGZYWCL-GDBMZVCRSA-N 2 2 375.538 3.777 20 0 GHADLP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000660677554 841090806 /nfs/dbraw/zinc/09/08/06/841090806.db2.gz NDWYJENAIGJTPK-FQEVSTJZSA-N 2 2 388.939 3.642 20 0 GHADLP C[N@H+](CCc1ccccc1)CC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000613759519 841094211 /nfs/dbraw/zinc/09/42/11/841094211.db2.gz POMAOPHBRYTENF-UHFFFAOYSA-N 2 2 399.966 3.549 20 0 GHADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000613759519 841094231 /nfs/dbraw/zinc/09/42/31/841094231.db2.gz POMAOPHBRYTENF-UHFFFAOYSA-N 2 2 399.966 3.549 20 0 GHADLP C[NH+](CCc1ccccc1)CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000613759519 841094243 /nfs/dbraw/zinc/09/42/43/841094243.db2.gz POMAOPHBRYTENF-UHFFFAOYSA-N 2 2 399.966 3.549 20 0 GHADLP C[NH+](CCc1ccccc1)CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000613759519 841094246 /nfs/dbraw/zinc/09/42/46/841094246.db2.gz POMAOPHBRYTENF-UHFFFAOYSA-N 2 2 399.966 3.549 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n(C)n1 ZINC000417920771 841274440 /nfs/dbraw/zinc/27/44/40/841274440.db2.gz GYPKPIFODNQBTG-LPHOPBHVSA-N 2 2 380.458 3.920 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n(C)n1 ZINC000417920771 841274446 /nfs/dbraw/zinc/27/44/46/841274446.db2.gz GYPKPIFODNQBTG-LPHOPBHVSA-N 2 2 380.458 3.920 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1C ZINC000060545759 841374707 /nfs/dbraw/zinc/37/47/07/841374707.db2.gz USHHWBCRIZVAGM-HXUWFJFHSA-N 2 2 390.572 3.605 20 0 GHADLP COCC[NH2+]C1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000581492744 841533328 /nfs/dbraw/zinc/53/33/28/841533328.db2.gz QZURYAGORQJLNZ-YVMONPNESA-N 2 2 380.532 3.979 20 0 GHADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc2ccccc21 ZINC000364280035 841586851 /nfs/dbraw/zinc/58/68/51/841586851.db2.gz GYNVAWDWUGYWNH-RXVVDRJESA-N 2 2 394.563 3.711 20 0 GHADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc2ccccc21 ZINC000364280035 841586857 /nfs/dbraw/zinc/58/68/57/841586857.db2.gz GYNVAWDWUGYWNH-RXVVDRJESA-N 2 2 394.563 3.711 20 0 GHADLP Cc1cc2c(s1)N(c1cccnc1OC1C[NH2+]C1)c1ccccc1NC2=[NH2+] ZINC001167469530 841644382 /nfs/dbraw/zinc/64/43/82/841644382.db2.gz ONKLREFAGIBUGT-UHFFFAOYSA-N 2 2 377.473 3.622 20 0 GHADLP CN(C)C(=O)c1cccc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000090187444 841731068 /nfs/dbraw/zinc/73/10/68/841731068.db2.gz OUGPWIVFUGQKEA-JOCHJYFZSA-N 2 2 379.548 3.574 20 0 GHADLP CN(C)C(=O)c1cccc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000090187444 841731080 /nfs/dbraw/zinc/73/10/80/841731080.db2.gz OUGPWIVFUGQKEA-JOCHJYFZSA-N 2 2 379.548 3.574 20 0 GHADLP C[NH+](C)CC1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000119000089 841853282 /nfs/dbraw/zinc/85/32/82/841853282.db2.gz KOZBHFJSCFWGNT-SUOYUTEQSA-N 2 2 395.551 3.531 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(OC(F)F)cc2)cc1F ZINC000656791050 841926201 /nfs/dbraw/zinc/92/62/01/841926201.db2.gz QYTAOOLVHNGBGA-WMZOPIPTSA-N 2 2 380.410 3.671 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Br)c(Cl)s2)CCCO1 ZINC000432344759 842111085 /nfs/dbraw/zinc/11/10/85/842111085.db2.gz CBULFCZMYLAOMU-LLVKDONJSA-N 2 2 381.767 3.755 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Br)c(Cl)s2)CCCO1 ZINC000432344759 842111088 /nfs/dbraw/zinc/11/10/88/842111088.db2.gz CBULFCZMYLAOMU-LLVKDONJSA-N 2 2 381.767 3.755 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CCCO1 ZINC000432358005 842168307 /nfs/dbraw/zinc/16/83/07/842168307.db2.gz NYZQYIXXDAEIHG-LJQANCHMSA-N 2 2 384.568 3.760 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CCCO1 ZINC000432358005 842168311 /nfs/dbraw/zinc/16/83/11/842168311.db2.gz NYZQYIXXDAEIHG-LJQANCHMSA-N 2 2 384.568 3.760 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(F)c(Cl)c3Cl)[nH+]c2)C1 ZINC000432255812 842408119 /nfs/dbraw/zinc/40/81/19/842408119.db2.gz RAJVXZMQCMMRNR-AWEZNQCLSA-N 2 2 383.298 3.702 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000471791137 842539817 /nfs/dbraw/zinc/53/98/17/842539817.db2.gz IEFHTKFMMGGMJV-GGAORHGYSA-N 2 2 388.515 3.685 20 0 GHADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1[nH]cc[nH+]1 ZINC000279289434 842809135 /nfs/dbraw/zinc/80/91/35/842809135.db2.gz YMAXVLPLCYQJHX-UHFFFAOYSA-N 2 2 383.323 3.630 20 0 GHADLP C[C@H]1CC[C@H](c2ccccc2)[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000512191976 842885128 /nfs/dbraw/zinc/88/51/28/842885128.db2.gz CCMOLLXHOMAKQH-RBBKRZOGSA-N 2 2 392.547 3.594 20 0 GHADLP C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000512191976 842885144 /nfs/dbraw/zinc/88/51/44/842885144.db2.gz CCMOLLXHOMAKQH-RBBKRZOGSA-N 2 2 392.547 3.594 20 0 GHADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178361731 861358249 /nfs/dbraw/zinc/35/82/49/861358249.db2.gz VOCKJORGSUCDNX-UHFFFAOYSA-N 2 2 384.483 3.896 20 0 GHADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178361731 861358262 /nfs/dbraw/zinc/35/82/62/861358262.db2.gz VOCKJORGSUCDNX-UHFFFAOYSA-N 2 2 384.483 3.896 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000471861413 842945796 /nfs/dbraw/zinc/94/57/96/842945796.db2.gz HIJYXHUZFMOPFT-FGZHOGPDSA-N 2 2 390.531 3.833 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000471861413 842945807 /nfs/dbraw/zinc/94/58/07/842945807.db2.gz HIJYXHUZFMOPFT-FGZHOGPDSA-N 2 2 390.531 3.833 20 0 GHADLP C[C@H](CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@H]1CCC[NH2+]C1 ZINC000430839467 843055928 /nfs/dbraw/zinc/05/59/28/843055928.db2.gz ONFQPHDQRJBXJD-AEFFLSMTSA-N 2 2 398.576 3.666 20 0 GHADLP C[C@H](CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@H]1CCC[NH2+]C1 ZINC000430839467 843055943 /nfs/dbraw/zinc/05/59/43/843055943.db2.gz ONFQPHDQRJBXJD-AEFFLSMTSA-N 2 2 398.576 3.666 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512252927 843230220 /nfs/dbraw/zinc/23/02/20/843230220.db2.gz NMZAYLVXWYBMJQ-VWLOTQADSA-N 2 2 391.559 3.633 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512252927 843230225 /nfs/dbraw/zinc/23/02/25/843230225.db2.gz NMZAYLVXWYBMJQ-VWLOTQADSA-N 2 2 391.559 3.633 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512252927 843230231 /nfs/dbraw/zinc/23/02/31/843230231.db2.gz NMZAYLVXWYBMJQ-VWLOTQADSA-N 2 2 391.559 3.633 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512252927 843230236 /nfs/dbraw/zinc/23/02/36/843230236.db2.gz NMZAYLVXWYBMJQ-VWLOTQADSA-N 2 2 391.559 3.633 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(C)s1 ZINC000512296661 843342303 /nfs/dbraw/zinc/34/23/03/843342303.db2.gz ZRZUERFLDRCXMF-QFIPXVFZSA-N 2 2 384.545 3.941 20 0 GHADLP COC(=O)c1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(C)s1 ZINC000512296661 843342312 /nfs/dbraw/zinc/34/23/12/843342312.db2.gz ZRZUERFLDRCXMF-QFIPXVFZSA-N 2 2 384.545 3.941 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)s1 ZINC000512296661 843342327 /nfs/dbraw/zinc/34/23/27/843342327.db2.gz ZRZUERFLDRCXMF-QFIPXVFZSA-N 2 2 384.545 3.941 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C)s1 ZINC000512296661 843342337 /nfs/dbraw/zinc/34/23/37/843342337.db2.gz ZRZUERFLDRCXMF-QFIPXVFZSA-N 2 2 384.545 3.941 20 0 GHADLP CC[N@H+](CC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Cc1ccccc1Cl ZINC000555622650 861420119 /nfs/dbraw/zinc/42/01/19/861420119.db2.gz PRNKUUJGLFEGFA-WIYYLYMNSA-N 2 2 389.971 3.637 20 0 GHADLP CC[N@@H+](CC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Cc1ccccc1Cl ZINC000555622650 861420120 /nfs/dbraw/zinc/42/01/20/861420120.db2.gz PRNKUUJGLFEGFA-WIYYLYMNSA-N 2 2 389.971 3.637 20 0 GHADLP CC[NH+](CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Cc1ccccc1Cl ZINC000555622650 861420121 /nfs/dbraw/zinc/42/01/21/861420121.db2.gz PRNKUUJGLFEGFA-WIYYLYMNSA-N 2 2 389.971 3.637 20 0 GHADLP CC[NH+](CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Cc1ccccc1Cl ZINC000555622650 861420122 /nfs/dbraw/zinc/42/01/22/861420122.db2.gz PRNKUUJGLFEGFA-WIYYLYMNSA-N 2 2 389.971 3.637 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cc2nn(C)cc2Br)CC1)CC1CC1 ZINC000432783382 843817770 /nfs/dbraw/zinc/81/77/70/843817770.db2.gz ZHFGPWCWMGCJOK-UHFFFAOYSA-N 2 2 383.378 3.517 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cc2nn(C)cc2Br)CC1)CC1CC1 ZINC000432783382 843817784 /nfs/dbraw/zinc/81/77/84/843817784.db2.gz ZHFGPWCWMGCJOK-UHFFFAOYSA-N 2 2 383.378 3.517 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[C@@H](c2ccccc2)C1 ZINC000512904582 843956566 /nfs/dbraw/zinc/95/65/66/843956566.db2.gz XIQLBJGCFPRHDD-PIEPZZQHSA-N 2 2 383.580 3.632 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[C@@H](c2ccccc2)C1 ZINC000512904582 843956572 /nfs/dbraw/zinc/95/65/72/843956572.db2.gz XIQLBJGCFPRHDD-PIEPZZQHSA-N 2 2 383.580 3.632 20 0 GHADLP O=C(Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000899672040 861482397 /nfs/dbraw/zinc/48/23/97/861482397.db2.gz NKUXZLBIVQWTDX-CQSZACIVSA-N 2 2 392.425 3.699 20 0 GHADLP CN(C(=O)c1cc(F)cc(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849301 844810498 /nfs/dbraw/zinc/81/04/98/844810498.db2.gz XBKGGBICOPZMEQ-UXHICEINSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1cc(F)cc(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849301 844810504 /nfs/dbraw/zinc/81/05/04/844810504.db2.gz XBKGGBICOPZMEQ-UXHICEINSA-N 2 2 395.950 3.888 20 0 GHADLP C[NH+]1CCN([C@H](C[NH2+]Cc2nc3ccc(F)cc3s2)c2cccs2)CC1 ZINC000555656882 861510990 /nfs/dbraw/zinc/51/09/90/861510990.db2.gz CILIOJIPZVLMIE-MRXNPFEDSA-N 2 2 390.553 3.575 20 0 GHADLP CN(C(=O)NCCC1=CCCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535870972 844937733 /nfs/dbraw/zinc/93/77/33/844937733.db2.gz JAUKNIGUCUNWQI-YADHBBJMSA-N 2 2 390.616 3.856 20 0 GHADLP CN(C(=O)NCCC1=CCCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535870972 844937746 /nfs/dbraw/zinc/93/77/46/844937746.db2.gz JAUKNIGUCUNWQI-YADHBBJMSA-N 2 2 390.616 3.856 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2nc(C(F)(F)F)cs2)CC1 ZINC000152245334 845231562 /nfs/dbraw/zinc/23/15/62/845231562.db2.gz DSVFPKCMSKGXFZ-UHFFFAOYSA-N 2 2 398.498 3.984 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000673741321 861555219 /nfs/dbraw/zinc/55/52/19/861555219.db2.gz VNBCXALVGGQBNM-YOEHRIQHSA-N 2 2 398.378 3.724 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000673741321 861555226 /nfs/dbraw/zinc/55/52/26/861555226.db2.gz VNBCXALVGGQBNM-YOEHRIQHSA-N 2 2 398.378 3.724 20 0 GHADLP Cc1nc2[nH]ccc2c(NCCCOC2CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC000433783392 845354258 /nfs/dbraw/zinc/35/42/58/845354258.db2.gz OYNIAOZDDSGXOP-UHFFFAOYSA-N 2 2 379.508 3.701 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)[C@@H]2CCC3(C[C@H]2F)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000892006852 845395489 /nfs/dbraw/zinc/39/54/89/845395489.db2.gz CPTWQXIZWOYRLA-CWJKEVGVSA-N 2 2 376.516 3.605 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)[C@@H]2CCC3(C[C@H]2F)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000892006852 845395496 /nfs/dbraw/zinc/39/54/96/845395496.db2.gz CPTWQXIZWOYRLA-CWJKEVGVSA-N 2 2 376.516 3.605 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)[C@@H]2CCC3(C[C@H]2F)OCCO3)CC[NH+]1Cc1ccccc1 ZINC000892006852 845395510 /nfs/dbraw/zinc/39/55/10/845395510.db2.gz CPTWQXIZWOYRLA-CWJKEVGVSA-N 2 2 376.516 3.605 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)[C@@H]2CCC3(C[C@H]2F)OCCO3)CC[NH+]1Cc1ccccc1 ZINC000892006852 845395516 /nfs/dbraw/zinc/39/55/16/845395516.db2.gz CPTWQXIZWOYRLA-CWJKEVGVSA-N 2 2 376.516 3.605 20 0 GHADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548664318 846229599 /nfs/dbraw/zinc/22/95/99/846229599.db2.gz APPIHVVTOXQODK-NVXWUHKLSA-N 2 2 386.927 3.998 20 0 GHADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548664318 846229611 /nfs/dbraw/zinc/22/96/11/846229611.db2.gz APPIHVVTOXQODK-NVXWUHKLSA-N 2 2 386.927 3.998 20 0 GHADLP COc1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C2CC2)c(F)c1 ZINC000421822622 846602382 /nfs/dbraw/zinc/60/23/82/846602382.db2.gz XMANZFMRRYKIJM-XMMPIXPASA-N 2 2 397.538 3.823 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(C4CCCC4)cc3)CC2)CC1 ZINC000422023987 846755668 /nfs/dbraw/zinc/75/56/68/846755668.db2.gz QBAQSXIYAWUNBZ-UHFFFAOYSA-N 2 2 383.580 3.976 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(C4CCCC4)cc3)CC2)CC1 ZINC000422023987 846755674 /nfs/dbraw/zinc/75/56/74/846755674.db2.gz QBAQSXIYAWUNBZ-UHFFFAOYSA-N 2 2 383.580 3.976 20 0 GHADLP CCc1ccc(C(C)(C)C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000422026605 846757475 /nfs/dbraw/zinc/75/74/75/846757475.db2.gz VECKCYMSVDQZHG-UHFFFAOYSA-N 2 2 385.596 3.545 20 0 GHADLP CCc1ccc(C(C)(C)C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000422026605 846757481 /nfs/dbraw/zinc/75/74/81/846757481.db2.gz VECKCYMSVDQZHG-UHFFFAOYSA-N 2 2 385.596 3.545 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc([C@@H]4C[C@H]4C)o3)CC2)CC1 ZINC000422028070 846759286 /nfs/dbraw/zinc/75/92/86/846759286.db2.gz XEXOAAFZKUTMQS-AYWYSENESA-N 2 2 399.579 3.525 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc([C@@H]4C[C@H]4C)o3)CC2)CC1 ZINC000422028070 846759289 /nfs/dbraw/zinc/75/92/89/846759289.db2.gz XEXOAAFZKUTMQS-AYWYSENESA-N 2 2 399.579 3.525 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000422028899 846760795 /nfs/dbraw/zinc/76/07/95/846760795.db2.gz YSSRNHNAEMBYSP-DNQXCXABSA-N 2 2 397.607 3.979 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000422028899 846760804 /nfs/dbraw/zinc/76/08/04/846760804.db2.gz YSSRNHNAEMBYSP-DNQXCXABSA-N 2 2 397.607 3.979 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)NCC2(c3ccccc3)CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000503086717 846791961 /nfs/dbraw/zinc/79/19/61/846791961.db2.gz LUGYNZICWWSROR-IRLDBZIGSA-N 2 2 394.563 3.784 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2(c3ccccc3)CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000503086717 846791969 /nfs/dbraw/zinc/79/19/69/846791969.db2.gz LUGYNZICWWSROR-IRLDBZIGSA-N 2 2 394.563 3.784 20 0 GHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000582301548 846811129 /nfs/dbraw/zinc/81/11/29/846811129.db2.gz KVZKDVXEQMAPEB-WOJBJXKFSA-N 2 2 388.515 3.589 20 0 GHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000582301548 846811136 /nfs/dbraw/zinc/81/11/36/846811136.db2.gz KVZKDVXEQMAPEB-WOJBJXKFSA-N 2 2 388.515 3.589 20 0 GHADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000501375977 846878980 /nfs/dbraw/zinc/87/89/80/846878980.db2.gz DDXQMZBYSYYVQN-REWPJTCUSA-N 2 2 395.547 3.609 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000604069851 861749815 /nfs/dbraw/zinc/74/98/15/861749815.db2.gz NWSOPEBMTIHCGU-UPVQGACJSA-N 2 2 380.532 3.999 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000604069851 861749830 /nfs/dbraw/zinc/74/98/30/861749830.db2.gz NWSOPEBMTIHCGU-UPVQGACJSA-N 2 2 380.532 3.999 20 0 GHADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1ccc(OCc2ccccc2)cc1)C1CCCCC1 ZINC000420362998 847140340 /nfs/dbraw/zinc/14/03/40/847140340.db2.gz OPYGGLZRNSNORM-QFIPXVFZSA-N 2 2 381.520 3.701 20 0 GHADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)ccc21 ZINC000582403936 847140520 /nfs/dbraw/zinc/14/05/20/847140520.db2.gz MQRGRBYXEANHCV-JOCHJYFZSA-N 2 2 389.503 3.802 20 0 GHADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)ccc21 ZINC000582403937 847140890 /nfs/dbraw/zinc/14/08/90/847140890.db2.gz MQRGRBYXEANHCV-QFIPXVFZSA-N 2 2 389.503 3.802 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420394052 847158391 /nfs/dbraw/zinc/15/83/91/847158391.db2.gz CLHVYCWYFHQMPV-IJLUTSLNSA-N 2 2 377.838 3.603 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420394052 847158398 /nfs/dbraw/zinc/15/83/98/847158398.db2.gz CLHVYCWYFHQMPV-IJLUTSLNSA-N 2 2 377.838 3.603 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000420402455 847167106 /nfs/dbraw/zinc/16/71/06/847167106.db2.gz QJTRSXMHZKOJCW-MJGOQNOKSA-N 2 2 385.533 3.561 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000420402455 847167108 /nfs/dbraw/zinc/16/71/08/847167108.db2.gz QJTRSXMHZKOJCW-MJGOQNOKSA-N 2 2 385.533 3.561 20 0 GHADLP CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000414463071 847347068 /nfs/dbraw/zinc/34/70/68/847347068.db2.gz ZVWOBZUCSIYHSA-SFHVURJKSA-N 2 2 392.590 3.544 20 0 GHADLP CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000414463071 847347076 /nfs/dbraw/zinc/34/70/76/847347076.db2.gz ZVWOBZUCSIYHSA-SFHVURJKSA-N 2 2 392.590 3.544 20 0 GHADLP COC[C@@H]([NH2+]Cc1ccccc1C[NH2+][C@@H](COC)c1ccco1)c1ccco1 ZINC000273494137 847355645 /nfs/dbraw/zinc/35/56/45/847355645.db2.gz LGXGAHJSEBAXMC-BGYRXZFFSA-N 2 2 384.476 3.827 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420946990 847568423 /nfs/dbraw/zinc/56/84/23/847568423.db2.gz BRYQNHIGXLUPEZ-JFTIXFDTSA-N 2 2 386.580 3.670 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420946990 847568428 /nfs/dbraw/zinc/56/84/28/847568428.db2.gz BRYQNHIGXLUPEZ-JFTIXFDTSA-N 2 2 386.580 3.670 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(-n2ccnc2)c1 ZINC000420955548 847576385 /nfs/dbraw/zinc/57/63/85/847576385.db2.gz XWXQXOWJZXBYCW-IBGZPJMESA-N 2 2 376.504 3.555 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(-n2ccnc2)c1 ZINC000420955549 847576775 /nfs/dbraw/zinc/57/67/75/847576775.db2.gz XWXQXOWJZXBYCW-LJQANCHMSA-N 2 2 376.504 3.555 20 0 GHADLP CC1(C)CCc2cc(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)ccc2O1 ZINC000731676656 861805980 /nfs/dbraw/zinc/80/59/80/861805980.db2.gz CXFRCRVRRJPGGW-UHFFFAOYSA-N 2 2 380.532 3.912 20 0 GHADLP CN1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@H]1c1ccc(Cl)cc1 ZINC000420957974 847578304 /nfs/dbraw/zinc/57/83/04/847578304.db2.gz DHPROMJUSLKOBN-XZOQPEGZSA-N 2 2 399.966 3.707 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3csc(C4CCCC4)n3)CC2)CC1 ZINC000420977460 847604491 /nfs/dbraw/zinc/60/44/91/847604491.db2.gz IEONEWKLZHRUKO-UHFFFAOYSA-N 2 2 376.614 3.793 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3csc(C4CCCC4)n3)CC2)CC1 ZINC000420977460 847604495 /nfs/dbraw/zinc/60/44/95/847604495.db2.gz IEONEWKLZHRUKO-UHFFFAOYSA-N 2 2 376.614 3.793 20 0 GHADLP c1ccc([C@H]2[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC23CCOCC3)cc1 ZINC000420976670 847604651 /nfs/dbraw/zinc/60/46/51/847604651.db2.gz RDIJVCDIYSHKPG-XMMPIXPASA-N 2 2 392.543 3.873 20 0 GHADLP c1ccc([C@H]2[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC23CCOCC3)cc1 ZINC000420976670 847604655 /nfs/dbraw/zinc/60/46/55/847604655.db2.gz RDIJVCDIYSHKPG-XMMPIXPASA-N 2 2 392.543 3.873 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3ncc(-c4ccc(C)cc4)o3)CC2)CC1 ZINC000420977499 847604799 /nfs/dbraw/zinc/60/47/99/847604799.db2.gz IGXCJJGPOINZRJ-UHFFFAOYSA-N 2 2 382.552 3.642 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ncc(-c4ccc(C)cc4)o3)CC2)CC1 ZINC000420977499 847604807 /nfs/dbraw/zinc/60/48/07/847604807.db2.gz IGXCJJGPOINZRJ-UHFFFAOYSA-N 2 2 382.552 3.642 20 0 GHADLP C[NH+](C)C[C@H](O)C[NH2+][C@H](c1sccc1Br)C1CCCCC1 ZINC000560244256 847639503 /nfs/dbraw/zinc/63/95/03/847639503.db2.gz BNJAAMSNCGTRRS-HIFRSBDPSA-N 2 2 375.376 3.644 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(F)c(C4CC4)c3)CC2)CC1 ZINC000421118857 847740006 /nfs/dbraw/zinc/74/00/06/847740006.db2.gz KJMAJRVSPSBKKC-UHFFFAOYSA-N 2 2 388.531 3.727 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(F)c(C4CC4)c3)CC2)CC1 ZINC000421118857 847740015 /nfs/dbraw/zinc/74/00/15/847740015.db2.gz KJMAJRVSPSBKKC-UHFFFAOYSA-N 2 2 388.531 3.727 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3c(C)cccc3SC)CC2)CC1 ZINC000421100308 847742793 /nfs/dbraw/zinc/74/27/93/847742793.db2.gz QGCWITTXKZLTGY-UHFFFAOYSA-N 2 2 390.597 3.741 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3c(C)cccc3SC)CC2)CC1 ZINC000421100308 847742800 /nfs/dbraw/zinc/74/28/00/847742800.db2.gz QGCWITTXKZLTGY-UHFFFAOYSA-N 2 2 390.597 3.741 20 0 GHADLP Clc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CCCc4cccnc43)CC2)c1 ZINC000684955920 847896063 /nfs/dbraw/zinc/89/60/63/847896063.db2.gz WEIRWMHHYFQYRM-NRFANRHFSA-N 2 2 384.955 3.914 20 0 GHADLP C[C@H](CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CC[NH2+]CC1 ZINC000237408543 848119677 /nfs/dbraw/zinc/11/96/77/848119677.db2.gz LHMDISZXKLDNDO-BEFAXECRSA-N 2 2 395.950 3.586 20 0 GHADLP C[C@H](CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CC[NH2+]CC1 ZINC000237408543 848119682 /nfs/dbraw/zinc/11/96/82/848119682.db2.gz LHMDISZXKLDNDO-BEFAXECRSA-N 2 2 395.950 3.586 20 0 GHADLP Fc1cc2cccnc2c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192357332 861928960 /nfs/dbraw/zinc/92/89/60/861928960.db2.gz HHSKTTBDHUSZFD-JOCHJYFZSA-N 2 2 379.479 3.755 20 0 GHADLP Fc1cc2cccnc2c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192357332 861928981 /nfs/dbraw/zinc/92/89/81/861928981.db2.gz HHSKTTBDHUSZFD-JOCHJYFZSA-N 2 2 379.479 3.755 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357711 861929231 /nfs/dbraw/zinc/92/92/31/861929231.db2.gz UCILQYPAHWEKKA-QHCPKHFHSA-N 2 2 390.531 3.766 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357711 861929244 /nfs/dbraw/zinc/92/92/44/861929244.db2.gz UCILQYPAHWEKKA-QHCPKHFHSA-N 2 2 390.531 3.766 20 0 GHADLP C[C@@H](OC[C@H](O)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000583019403 848887523 /nfs/dbraw/zinc/88/75/23/848887523.db2.gz ANPYIPLUIKNJMI-VGOFRKELSA-N 2 2 399.922 3.813 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150752582 849096394 /nfs/dbraw/zinc/09/63/94/849096394.db2.gz JSNMDGSOLQPPNT-XUVXKRRUSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150752582 849096398 /nfs/dbraw/zinc/09/63/98/849096398.db2.gz JSNMDGSOLQPPNT-XUVXKRRUSA-N 2 2 379.548 3.823 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1ccnc2ccccc12)[C@H]1CC12CC[NH2+]CC2 ZINC000583143882 849162908 /nfs/dbraw/zinc/16/29/08/849162908.db2.gz XILYFSYKYDNULM-NRFANRHFSA-N 2 2 375.520 3.596 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1ccnc2ccccc12)[C@H]1CC12CC[NH2+]CC2 ZINC000583143882 849162912 /nfs/dbraw/zinc/16/29/12/849162912.db2.gz XILYFSYKYDNULM-NRFANRHFSA-N 2 2 375.520 3.596 20 0 GHADLP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000154058679 849177715 /nfs/dbraw/zinc/17/77/15/849177715.db2.gz WUBGTTCTUTUETB-BWAGFHJFSA-N 2 2 382.552 3.620 20 0 GHADLP Cc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000154058679 849177721 /nfs/dbraw/zinc/17/77/21/849177721.db2.gz WUBGTTCTUTUETB-BWAGFHJFSA-N 2 2 382.552 3.620 20 0 GHADLP CC(C)c1ccc(CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C2CC2)cc1 ZINC000604210190 861994319 /nfs/dbraw/zinc/99/43/19/861994319.db2.gz YKHXEIBDQRXDQS-NRFANRHFSA-N 2 2 398.595 3.653 20 0 GHADLP CC(C)c1ccc(CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C2CC2)cc1 ZINC000604210190 861994333 /nfs/dbraw/zinc/99/43/33/861994333.db2.gz YKHXEIBDQRXDQS-NRFANRHFSA-N 2 2 398.595 3.653 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N(C)Cc3ccccc3C)C2)s1 ZINC000583171864 849243910 /nfs/dbraw/zinc/24/39/10/849243910.db2.gz INQHUUBHDBAUQR-FQEVSTJZSA-N 2 2 399.604 3.777 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N(C)Cc3ccccc3C)C2)s1 ZINC000583171864 849243914 /nfs/dbraw/zinc/24/39/14/849243914.db2.gz INQHUUBHDBAUQR-FQEVSTJZSA-N 2 2 399.604 3.777 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N(C)Cc3ccccc3C)C2)s1 ZINC000583171864 849243918 /nfs/dbraw/zinc/24/39/18/849243918.db2.gz INQHUUBHDBAUQR-FQEVSTJZSA-N 2 2 399.604 3.777 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N(C)Cc3ccccc3C)C2)s1 ZINC000583171864 849243921 /nfs/dbraw/zinc/24/39/21/849243921.db2.gz INQHUUBHDBAUQR-FQEVSTJZSA-N 2 2 399.604 3.777 20 0 GHADLP CC(C)(CO)[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000583374214 849742849 /nfs/dbraw/zinc/74/28/49/849742849.db2.gz QDSNRMFLFJASLW-TZIWHRDSSA-N 2 2 388.577 3.688 20 0 GHADLP CC(C)(CO)[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000583374214 849742857 /nfs/dbraw/zinc/74/28/57/849742857.db2.gz QDSNRMFLFJASLW-TZIWHRDSSA-N 2 2 388.577 3.688 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H]3CCc4ccccc4NC3=O)C2)s1 ZINC000583384573 849760399 /nfs/dbraw/zinc/76/03/99/849760399.db2.gz YEQDDDQUYHDGKG-UWJYYQICSA-N 2 2 383.561 3.764 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H]3CCc4ccccc4NC3=O)C2)s1 ZINC000583384573 849760406 /nfs/dbraw/zinc/76/04/06/849760406.db2.gz YEQDDDQUYHDGKG-UWJYYQICSA-N 2 2 383.561 3.764 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H]3CCc4ccccc4NC3=O)C2)s1 ZINC000583384573 849760418 /nfs/dbraw/zinc/76/04/18/849760418.db2.gz YEQDDDQUYHDGKG-UWJYYQICSA-N 2 2 383.561 3.764 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H]3CCc4ccccc4NC3=O)C2)s1 ZINC000583384573 849760427 /nfs/dbraw/zinc/76/04/27/849760427.db2.gz YEQDDDQUYHDGKG-UWJYYQICSA-N 2 2 383.561 3.764 20 0 GHADLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1I ZINC000423184419 849775495 /nfs/dbraw/zinc/77/54/95/849775495.db2.gz HZDBERHZIJDPRF-AWEZNQCLSA-N 2 2 395.288 3.517 20 0 GHADLP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425213384 849813029 /nfs/dbraw/zinc/81/30/29/849813029.db2.gz YCOCKMYHBIPOKL-OAQYLSRUSA-N 2 2 394.494 3.661 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000423316772 849853993 /nfs/dbraw/zinc/85/39/93/849853993.db2.gz ALVPWBIQOJJIFC-LRQRDZAKSA-N 2 2 384.520 3.817 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CC[NH2+]1 ZINC000423404179 849910723 /nfs/dbraw/zinc/91/07/23/849910723.db2.gz YZJVQYFLGIFKQY-HEFCMCLBSA-N 2 2 392.952 3.563 20 0 GHADLP COC[C@]1(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CCC[NH2+]1 ZINC000423437908 849930618 /nfs/dbraw/zinc/93/06/18/849930618.db2.gz UNMHBJSSSCTTSA-OXQOHEQNSA-N 2 2 375.513 3.685 20 0 GHADLP CC[N@H+](CC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)Cc1ccccc1Cl ZINC000504343127 850022908 /nfs/dbraw/zinc/02/29/08/850022908.db2.gz LSRVDORJEKWMSG-ROUUACIJSA-N 2 2 391.987 3.931 20 0 GHADLP CC[N@@H+](CC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)Cc1ccccc1Cl ZINC000504343127 850022914 /nfs/dbraw/zinc/02/29/14/850022914.db2.gz LSRVDORJEKWMSG-ROUUACIJSA-N 2 2 391.987 3.931 20 0 GHADLP CC[NH+](CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)Cc1ccccc1Cl ZINC000504343127 850022922 /nfs/dbraw/zinc/02/29/22/850022922.db2.gz LSRVDORJEKWMSG-ROUUACIJSA-N 2 2 391.987 3.931 20 0 GHADLP CC[NH+](CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)Cc1ccccc1Cl ZINC000504343127 850022931 /nfs/dbraw/zinc/02/29/31/850022931.db2.gz LSRVDORJEKWMSG-ROUUACIJSA-N 2 2 391.987 3.931 20 0 GHADLP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)o2)cc1 ZINC000435053939 850028526 /nfs/dbraw/zinc/02/85/26/850028526.db2.gz YHSCLXVZGCEPSB-HXUWFJFHSA-N 2 2 378.428 3.782 20 0 GHADLP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)o2)cc1 ZINC000435053939 850028533 /nfs/dbraw/zinc/02/85/33/850028533.db2.gz YHSCLXVZGCEPSB-HXUWFJFHSA-N 2 2 378.428 3.782 20 0 GHADLP Brc1ccc(-n2cc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cn2)cc1 ZINC000435056176 850030357 /nfs/dbraw/zinc/03/03/57/850030357.db2.gz KWEBPLPPFOCPFE-LJQANCHMSA-N 2 2 399.292 3.683 20 0 GHADLP Brc1ccc(-n2cc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cn2)cc1 ZINC000435056176 850030367 /nfs/dbraw/zinc/03/03/67/850030367.db2.gz KWEBPLPPFOCPFE-LJQANCHMSA-N 2 2 399.292 3.683 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000486939567 850263781 /nfs/dbraw/zinc/26/37/81/850263781.db2.gz PHPRJAZFZJMZTB-HNNXBMFYSA-N 2 2 391.357 3.704 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000486939567 850263790 /nfs/dbraw/zinc/26/37/90/850263790.db2.gz PHPRJAZFZJMZTB-HNNXBMFYSA-N 2 2 391.357 3.704 20 0 GHADLP C[NH+](C)CCN(Cc1ccsc1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425318918 850296903 /nfs/dbraw/zinc/29/69/03/850296903.db2.gz VLYHBVDYSOGCQJ-LJQANCHMSA-N 2 2 382.533 3.584 20 0 GHADLP c1c(C[NH+]2CCC([NH2+]CC3CC3)CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000435378559 850442570 /nfs/dbraw/zinc/44/25/70/850442570.db2.gz FCQLLXQWJYYCKV-UHFFFAOYSA-N 2 2 387.531 3.898 20 0 GHADLP CCn1ccnc1C[N@H+](C/C=C/c1ccc(F)cc1F)[C@@H]1CC12CC[NH2+]CC2 ZINC000435424728 850505031 /nfs/dbraw/zinc/50/50/31/850505031.db2.gz ACWKFVHWFZIXOT-WUUFJKRQSA-N 2 2 386.490 3.839 20 0 GHADLP CCn1ccnc1C[N@@H+](C/C=C/c1ccc(F)cc1F)[C@@H]1CC12CC[NH2+]CC2 ZINC000435424728 850505045 /nfs/dbraw/zinc/50/50/45/850505045.db2.gz ACWKFVHWFZIXOT-WUUFJKRQSA-N 2 2 386.490 3.839 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1cccc(OC(C)C)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435436302 850524494 /nfs/dbraw/zinc/52/44/94/850524494.db2.gz FCNHLEQEUGFRQP-OAQYLSRUSA-N 2 2 382.552 3.835 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1cccc(OC(C)C)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435436302 850524499 /nfs/dbraw/zinc/52/44/99/850524499.db2.gz FCNHLEQEUGFRQP-OAQYLSRUSA-N 2 2 382.552 3.835 20 0 GHADLP CCC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000625502930 862163887 /nfs/dbraw/zinc/16/38/87/862163887.db2.gz FMLOYNSCZSBPHQ-SFTDATJTSA-N 2 2 391.987 3.851 20 0 GHADLP CCC[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000625502930 862163898 /nfs/dbraw/zinc/16/38/98/862163898.db2.gz FMLOYNSCZSBPHQ-SFTDATJTSA-N 2 2 391.987 3.851 20 0 GHADLP Cn1ccnc1C[N@H+](CCOc1cccc2ccccc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000435697028 850777195 /nfs/dbraw/zinc/77/71/95/850777195.db2.gz RKZWDIDZLIGJNC-JOCHJYFZSA-N 2 2 390.531 3.596 20 0 GHADLP Cn1ccnc1C[N@@H+](CCOc1cccc2ccccc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000435697028 850777202 /nfs/dbraw/zinc/77/72/02/850777202.db2.gz RKZWDIDZLIGJNC-JOCHJYFZSA-N 2 2 390.531 3.596 20 0 GHADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC2)C1 ZINC000604389142 862171927 /nfs/dbraw/zinc/17/19/27/862171927.db2.gz SOOYBTJLZFOZKL-HSZRJFAPSA-N 2 2 397.538 3.617 20 0 GHADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC2)C1 ZINC000604389142 862171934 /nfs/dbraw/zinc/17/19/34/862171934.db2.gz SOOYBTJLZFOZKL-HSZRJFAPSA-N 2 2 397.538 3.617 20 0 GHADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(Br)cc(Br)c1N ZINC000515254111 850849973 /nfs/dbraw/zinc/84/99/73/850849973.db2.gz JAJLGGCGXGALLU-UHFFFAOYSA-N 2 2 393.167 3.567 20 0 GHADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Br)cc(Br)c1N ZINC000515254111 850849982 /nfs/dbraw/zinc/84/99/82/850849982.db2.gz JAJLGGCGXGALLU-UHFFFAOYSA-N 2 2 393.167 3.567 20 0 GHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000487922314 850980880 /nfs/dbraw/zinc/98/08/80/850980880.db2.gz UGDIOWKCUYIRQC-RBUKOAKNSA-N 2 2 386.536 3.617 20 0 GHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000487922314 850980886 /nfs/dbraw/zinc/98/08/86/850980886.db2.gz UGDIOWKCUYIRQC-RBUKOAKNSA-N 2 2 386.536 3.617 20 0 GHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000487922314 850980890 /nfs/dbraw/zinc/98/08/90/850980890.db2.gz UGDIOWKCUYIRQC-RBUKOAKNSA-N 2 2 386.536 3.617 20 0 GHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000487922314 850980899 /nfs/dbraw/zinc/98/08/99/850980899.db2.gz UGDIOWKCUYIRQC-RBUKOAKNSA-N 2 2 386.536 3.617 20 0 GHADLP FC1(F)CCC[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000513894111 850986290 /nfs/dbraw/zinc/98/62/90/850986290.db2.gz HDGNRCXTUXUZKA-WOJBJXKFSA-N 2 2 392.538 3.741 20 0 GHADLP FC1(F)CCC[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000513894111 850986298 /nfs/dbraw/zinc/98/62/98/850986298.db2.gz HDGNRCXTUXUZKA-WOJBJXKFSA-N 2 2 392.538 3.741 20 0 GHADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436031342 851119614 /nfs/dbraw/zinc/11/96/14/851119614.db2.gz XPXPCGYLJRGVGE-INIZCTEOSA-N 2 2 376.932 3.732 20 0 GHADLP c1ccc([C@H]2CC[C@H]([NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)C2)cc1 ZINC000436277399 851421215 /nfs/dbraw/zinc/42/12/15/851421215.db2.gz XROGBFKUBBNHIP-GMAHTHKFSA-N 2 2 380.532 3.824 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000425139624 851491137 /nfs/dbraw/zinc/49/11/37/851491137.db2.gz CJYSENFBTBSZCW-FGZHOGPDSA-N 2 2 388.515 3.885 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000425150103 851523368 /nfs/dbraw/zinc/52/33/68/851523368.db2.gz SZQVOGWXNVTUIL-QFIPXVFZSA-N 2 2 388.515 3.844 20 0 GHADLP COc1ccc(CC[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167974313 851664610 /nfs/dbraw/zinc/66/46/10/851664610.db2.gz VPIPCRBCAYTYCI-CWAQXLGLSA-N 3 2 397.607 3.697 20 0 GHADLP COc1ccc(CC[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167974313 851664618 /nfs/dbraw/zinc/66/46/18/851664618.db2.gz VPIPCRBCAYTYCI-CWAQXLGLSA-N 3 2 397.607 3.697 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(Cl)cc3F)cc2)CC1 ZINC000438085368 852024978 /nfs/dbraw/zinc/02/49/78/852024978.db2.gz NLRJCDKIJUXCEO-UHFFFAOYSA-N 2 2 375.919 3.906 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000517561458 852098875 /nfs/dbraw/zinc/09/88/75/852098875.db2.gz MZFCLTDYYINQAJ-KRWDZBQOSA-N 2 2 396.318 3.683 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000517561458 852098884 /nfs/dbraw/zinc/09/88/84/852098884.db2.gz MZFCLTDYYINQAJ-KRWDZBQOSA-N 2 2 396.318 3.683 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](c3ncc[nH]3)C3CCCCC3)cc2)CC1 ZINC000514097933 852115263 /nfs/dbraw/zinc/11/52/63/852115263.db2.gz CCTKBDAJSRUWQT-HSZRJFAPSA-N 2 2 395.595 3.958 20 0 GHADLP CC(C)C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000180769985 862329114 /nfs/dbraw/zinc/32/91/14/862329114.db2.gz LCWADHRPSDJCOQ-HSZRJFAPSA-N 2 2 395.547 3.834 20 0 GHADLP C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)cccc21 ZINC000516204974 852252542 /nfs/dbraw/zinc/25/25/42/852252542.db2.gz JLXKKFPNIBZHQU-FQEVSTJZSA-N 2 2 376.460 3.569 20 0 GHADLP COc1ccc([C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[NH+]2CCCCC2)cc1 ZINC000516338206 852435424 /nfs/dbraw/zinc/43/54/24/852435424.db2.gz AZLWHVNAVKGPFI-PKTZIBPZSA-N 2 2 395.547 3.641 20 0 GHADLP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000438563540 852559580 /nfs/dbraw/zinc/55/95/80/852559580.db2.gz VEWCHHGVQKDXAX-JOCHJYFZSA-N 2 2 383.511 3.923 20 0 GHADLP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000438563540 852559589 /nfs/dbraw/zinc/55/95/89/852559589.db2.gz VEWCHHGVQKDXAX-JOCHJYFZSA-N 2 2 383.511 3.923 20 0 GHADLP COC[C@@]1(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CCC[NH2+]1 ZINC000414941090 852724129 /nfs/dbraw/zinc/72/41/29/852724129.db2.gz IGEWVDWNJVECLL-QFIPXVFZSA-N 2 2 396.560 3.518 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519598791 852781322 /nfs/dbraw/zinc/78/13/22/852781322.db2.gz HYVNMHDSEDRKEM-TZRRMPRUSA-N 3 2 397.607 3.541 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519598791 852781329 /nfs/dbraw/zinc/78/13/29/852781329.db2.gz HYVNMHDSEDRKEM-TZRRMPRUSA-N 3 2 397.607 3.541 20 0 GHADLP O[C@@H](C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000518363012 853247949 /nfs/dbraw/zinc/24/79/49/853247949.db2.gz YTDXGIAKQPGZSI-HXUWFJFHSA-N 2 2 389.421 3.643 20 0 GHADLP C[NH+](C)CCCN(C(=O)CCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000518391597 853298299 /nfs/dbraw/zinc/29/82/99/853298299.db2.gz GNSKTKPTDYJVAL-UHFFFAOYSA-N 2 2 390.531 3.843 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000187998026 853306715 /nfs/dbraw/zinc/30/67/15/853306715.db2.gz XBBJXFMRXRFIQP-MBSDFSHPSA-N 2 2 398.982 3.593 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000187998026 853306720 /nfs/dbraw/zinc/30/67/20/853306720.db2.gz XBBJXFMRXRFIQP-MBSDFSHPSA-N 2 2 398.982 3.593 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000491062795 853433020 /nfs/dbraw/zinc/43/30/20/853433020.db2.gz SUMUBEDYYJTHRF-NRFANRHFSA-N 2 2 384.568 3.554 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000491062795 853433025 /nfs/dbraw/zinc/43/30/25/853433025.db2.gz SUMUBEDYYJTHRF-NRFANRHFSA-N 2 2 384.568 3.554 20 0 GHADLP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000415924011 853627941 /nfs/dbraw/zinc/62/79/41/853627941.db2.gz QFRWVMMGUNOMBB-RTBURBONSA-N 2 2 390.890 3.765 20 0 GHADLP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000415924011 853627946 /nfs/dbraw/zinc/62/79/46/853627946.db2.gz QFRWVMMGUNOMBB-RTBURBONSA-N 2 2 390.890 3.765 20 0 GHADLP Cc1nc(NC(=O)[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)sc1C ZINC000441387195 854169738 /nfs/dbraw/zinc/16/97/38/854169738.db2.gz QVXVBADBRFLHQE-VQIMIIECSA-N 2 2 397.548 3.931 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000441393288 854176078 /nfs/dbraw/zinc/17/60/78/854176078.db2.gz GPABSIFWDVUZEE-SFLYRZDNSA-N 2 2 381.564 3.511 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000441393288 854176089 /nfs/dbraw/zinc/17/60/89/854176089.db2.gz GPABSIFWDVUZEE-SFLYRZDNSA-N 2 2 381.564 3.511 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C2CC2)cc1 ZINC000441393288 854176097 /nfs/dbraw/zinc/17/60/97/854176097.db2.gz GPABSIFWDVUZEE-SFLYRZDNSA-N 2 2 381.564 3.511 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C2CC2)cc1 ZINC000441393288 854176105 /nfs/dbraw/zinc/17/61/05/854176105.db2.gz GPABSIFWDVUZEE-SFLYRZDNSA-N 2 2 381.564 3.511 20 0 GHADLP CC(C)(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441419532 854293993 /nfs/dbraw/zinc/29/39/93/854293993.db2.gz JUUPVEDSBPKMIV-REWPJTCUSA-N 2 2 397.607 3.592 20 0 GHADLP CC(C)(C)c1ccc(CCNC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441419532 854293998 /nfs/dbraw/zinc/29/39/98/854293998.db2.gz JUUPVEDSBPKMIV-REWPJTCUSA-N 2 2 397.607 3.592 20 0 GHADLP CC(C)(C)c1ccc(CCNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441419532 854294001 /nfs/dbraw/zinc/29/40/01/854294001.db2.gz JUUPVEDSBPKMIV-REWPJTCUSA-N 2 2 397.607 3.592 20 0 GHADLP CC(C)(C)c1ccc(CCNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441419532 854294010 /nfs/dbraw/zinc/29/40/10/854294010.db2.gz JUUPVEDSBPKMIV-REWPJTCUSA-N 2 2 397.607 3.592 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3Nc3ccccc3)CC2)CC1 ZINC000050800685 854359317 /nfs/dbraw/zinc/35/93/17/854359317.db2.gz OUBQYILOOCYWFZ-UHFFFAOYSA-N 2 2 392.547 3.719 20 0 GHADLP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc(C)sc1C ZINC000623982119 862566223 /nfs/dbraw/zinc/56/62/23/862566223.db2.gz DOWOMFQOCCQEOL-DLZDZTESSA-N 2 2 377.598 3.879 20 0 GHADLP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc(C)sc1C ZINC000623982119 862566235 /nfs/dbraw/zinc/56/62/35/862566235.db2.gz DOWOMFQOCCQEOL-DLZDZTESSA-N 2 2 377.598 3.879 20 0 GHADLP COc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)o2)cc1 ZINC000328660107 854493042 /nfs/dbraw/zinc/49/30/42/854493042.db2.gz UVFNEAYWZDWRAX-KRWDZBQOSA-N 2 2 393.491 3.658 20 0 GHADLP COc1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)o2)cc1 ZINC000328660107 854493049 /nfs/dbraw/zinc/49/30/49/854493049.db2.gz UVFNEAYWZDWRAX-KRWDZBQOSA-N 2 2 393.491 3.658 20 0 GHADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000572474359 854514714 /nfs/dbraw/zinc/51/47/14/854514714.db2.gz KIJGTDMLONQDEL-KNQAVFIVSA-N 2 2 394.563 3.872 20 0 GHADLP CC[N@@H+](CC(=O)N(C(C)C)C1CCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072867771 854731371 /nfs/dbraw/zinc/73/13/71/854731371.db2.gz DQUAEJLBNUHXGK-UHFFFAOYSA-N 2 2 386.584 3.800 20 0 GHADLP CC[N@H+](CC(=O)N(C(C)C)C1CCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072867771 854731376 /nfs/dbraw/zinc/73/13/76/854731376.db2.gz DQUAEJLBNUHXGK-UHFFFAOYSA-N 2 2 386.584 3.800 20 0 GHADLP Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@H]3CO1)CCC2 ZINC000765792188 854825135 /nfs/dbraw/zinc/82/51/35/854825135.db2.gz PRSBLMXHMFUHGM-RLFYNMQTSA-N 2 2 387.524 3.779 20 0 GHADLP Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@H]3CO1)CCC2 ZINC000765792188 854825138 /nfs/dbraw/zinc/82/51/38/854825138.db2.gz PRSBLMXHMFUHGM-RLFYNMQTSA-N 2 2 387.524 3.779 20 0 GHADLP Fc1ccc(Cn2cc(C[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)cn2)cc1 ZINC000189037231 855012826 /nfs/dbraw/zinc/01/28/26/855012826.db2.gz WHZMEFAKFBKRMY-UHFFFAOYSA-N 2 2 375.451 3.605 20 0 GHADLP C[C@@H](NC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1cccc2ccccc21 ZINC000536368003 855151735 /nfs/dbraw/zinc/15/17/35/855151735.db2.gz DUHPUHFQDXIAMP-GOSISDBHSA-N 2 2 388.515 3.989 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccccc1 ZINC000590398080 855390148 /nfs/dbraw/zinc/39/01/48/855390148.db2.gz UDPPQOMIIGNUFW-NRFANRHFSA-N 2 2 380.467 3.629 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccccc1 ZINC000590398080 855390155 /nfs/dbraw/zinc/39/01/55/855390155.db2.gz UDPPQOMIIGNUFW-NRFANRHFSA-N 2 2 380.467 3.629 20 0 GHADLP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590864025 855636030 /nfs/dbraw/zinc/63/60/30/855636030.db2.gz JOKDUPPHJPEXSI-QFIPXVFZSA-N 2 2 395.551 3.806 20 0 GHADLP CC[N@H+](C[C@H](O)COc1cc(C)cc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441621019 855775622 /nfs/dbraw/zinc/77/56/22/855775622.db2.gz NNZRXVGKVIFURF-QFIPXVFZSA-N 2 2 397.563 3.677 20 0 GHADLP CC[N@@H+](C[C@H](O)COc1cc(C)cc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441621019 855775628 /nfs/dbraw/zinc/77/56/28/855775628.db2.gz NNZRXVGKVIFURF-QFIPXVFZSA-N 2 2 397.563 3.677 20 0 GHADLP C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508898245 856082332 /nfs/dbraw/zinc/08/23/32/856082332.db2.gz PMJPXNSMAWMQTM-DENIHFKCSA-N 2 2 397.567 3.776 20 0 GHADLP O=C(C[NH2+][C@@H](c1ccccc1)C1CCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000104699682 856369964 /nfs/dbraw/zinc/36/99/64/856369964.db2.gz GWPOHBUETMKQOS-DEOSSOPVSA-N 2 2 393.531 3.588 20 0 GHADLP COc1ccc([C@H]2C[C@@H](N(c3cc[nH+]c(OC)c3)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168677942 856624942 /nfs/dbraw/zinc/62/49/42/856624942.db2.gz RNULZLQIHZPPLI-RBBKRZOGSA-N 2 2 397.519 3.578 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(F)cc(Cl)c3)cc2)CC1 ZINC000485691688 856932187 /nfs/dbraw/zinc/93/21/87/856932187.db2.gz FJJWUOILMRNTHV-UHFFFAOYSA-N 2 2 375.919 3.906 20 0 GHADLP C[C@H]1CN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001128960621 857100635 /nfs/dbraw/zinc/10/06/35/857100635.db2.gz BISNWZDKAOMACV-XMSQKQJNSA-N 2 2 399.966 3.923 20 0 GHADLP C[C@H]1CN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001128960621 857100645 /nfs/dbraw/zinc/10/06/45/857100645.db2.gz BISNWZDKAOMACV-XMSQKQJNSA-N 2 2 399.966 3.923 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 ZINC000665256211 857102382 /nfs/dbraw/zinc/10/23/82/857102382.db2.gz SKKIQPMFJDMMCZ-OHEPNIRZSA-N 2 2 393.531 3.721 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1OC(F)F ZINC000181418739 862872191 /nfs/dbraw/zinc/87/21/91/862872191.db2.gz JNMBDVHAUYWITR-KKXDTOCCSA-N 2 2 386.458 3.846 20 0 GHADLP CCCC[C@@H]1CCC[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465943686 857165326 /nfs/dbraw/zinc/16/53/26/857165326.db2.gz QELQYAKFFBIRJQ-WOJBJXKFSA-N 2 2 378.605 3.595 20 0 GHADLP O[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000766128081 857342037 /nfs/dbraw/zinc/34/20/37/857342037.db2.gz IMVGNHHTDQDWCT-YFXJRYMSSA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000766128081 857342042 /nfs/dbraw/zinc/34/20/42/857342042.db2.gz IMVGNHHTDQDWCT-YFXJRYMSSA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000766128081 857342046 /nfs/dbraw/zinc/34/20/46/857342046.db2.gz IMVGNHHTDQDWCT-YFXJRYMSSA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000766128081 857342054 /nfs/dbraw/zinc/34/20/54/857342054.db2.gz IMVGNHHTDQDWCT-YFXJRYMSSA-N 2 2 386.486 3.985 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188907 862908707 /nfs/dbraw/zinc/90/87/07/862908707.db2.gz LNUWFEXOICEMIT-OXJNMPFZSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624188907 862908715 /nfs/dbraw/zinc/90/87/15/862908715.db2.gz LNUWFEXOICEMIT-OXJNMPFZSA-N 2 2 377.960 3.684 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCC[NH+]2CCC(C)CC2)c(C)c1 ZINC000442243939 857649551 /nfs/dbraw/zinc/64/95/51/857649551.db2.gz SAWPITXITBBKOY-JOCHJYFZSA-N 2 2 397.567 3.662 20 0 GHADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000675920520 857665341 /nfs/dbraw/zinc/66/53/41/857665341.db2.gz SLMQCJXUHXRLNN-UWJYYQICSA-N 2 2 392.503 3.719 20 0 GHADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000675921653 857666155 /nfs/dbraw/zinc/66/61/55/857666155.db2.gz MQERUKZGCRMRMR-AUSIDOKSSA-N 3 2 392.547 3.995 20 0 GHADLP CC(C)(CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[NH+]1CCCCC1 ZINC000131360810 857732237 /nfs/dbraw/zinc/73/22/37/857732237.db2.gz MTLXKSAPYHGVGO-LEWJYISDSA-N 2 2 395.551 3.675 20 0 GHADLP CN(C(=O)c1cc(Cl)cc2ccccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668618669 857766477 /nfs/dbraw/zinc/76/64/77/857766477.db2.gz RYABYYXJJFVUMT-IBGZPJMESA-N 2 2 385.939 3.734 20 0 GHADLP CN(C(=O)c1cc(Cl)cc2ccccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668618669 857766480 /nfs/dbraw/zinc/76/64/80/857766480.db2.gz RYABYYXJJFVUMT-IBGZPJMESA-N 2 2 385.939 3.734 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cnc(-c4ccccn4)s3)[nH+]c2)CC1 ZINC000676201458 857783156 /nfs/dbraw/zinc/78/31/56/857783156.db2.gz CXMFSDZYRSVLMI-UHFFFAOYSA-N 2 2 394.548 3.743 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676478308 857898771 /nfs/dbraw/zinc/89/87/71/857898771.db2.gz SCJIKXJFITXLJV-SVMVAKDDSA-N 2 2 376.504 3.939 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676478308 857898780 /nfs/dbraw/zinc/89/87/80/857898780.db2.gz SCJIKXJFITXLJV-SVMVAKDDSA-N 2 2 376.504 3.939 20 0 GHADLP CCC[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000613257961 857980782 /nfs/dbraw/zinc/98/07/82/857980782.db2.gz UPEJVKLKXXQXEN-UHFFFAOYSA-N 2 2 377.330 3.599 20 0 GHADLP C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442766090 858126639 /nfs/dbraw/zinc/12/66/39/858126639.db2.gz WAFRKKPHNQTHJN-QDXKRRSBSA-N 2 2 396.362 3.872 20 0 GHADLP C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442766090 858126642 /nfs/dbraw/zinc/12/66/42/858126642.db2.gz WAFRKKPHNQTHJN-QDXKRRSBSA-N 2 2 396.362 3.872 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)C[C@H](C)O4)CC2)cc1 ZINC000922159210 858155965 /nfs/dbraw/zinc/15/59/65/858155965.db2.gz MBHARMMCEUMXMW-KRWDZBQOSA-N 2 2 393.531 3.723 20 0 GHADLP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000482648082 858721694 /nfs/dbraw/zinc/72/16/94/858721694.db2.gz QFFQOAMPHOTXCO-AUSIDOKSSA-N 2 2 395.547 3.564 20 0 GHADLP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000482648082 858721702 /nfs/dbraw/zinc/72/17/02/858721702.db2.gz QFFQOAMPHOTXCO-AUSIDOKSSA-N 2 2 395.547 3.564 20 0 GHADLP C[NH+](C)Cc1cccc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1 ZINC000183425714 858742905 /nfs/dbraw/zinc/74/29/05/858742905.db2.gz LPGMFCDZMDZRJV-UHFFFAOYSA-N 2 2 390.318 3.926 20 0 GHADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C12CCOCC2 ZINC000923033863 858969843 /nfs/dbraw/zinc/96/98/43/858969843.db2.gz LRZRXAGHYDTIQO-ROUUACIJSA-N 2 2 375.538 3.776 20 0 GHADLP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000483077344 859126631 /nfs/dbraw/zinc/12/66/31/859126631.db2.gz VCPSEYODBFLVQG-UHFFFAOYSA-N 2 2 383.540 3.716 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(N[C@H](c3ccccc3)c3cncnc3)[nH+]c2)CC1 ZINC000543635549 859138550 /nfs/dbraw/zinc/13/85/50/859138550.db2.gz HTYFFAWHPSNYLL-HSZRJFAPSA-N 2 2 388.519 3.604 20 0 GHADLP C[C@H]1CC([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168025999 859270766 /nfs/dbraw/zinc/27/07/66/859270766.db2.gz KZAGPLJCMXLEPY-PMACEKPBSA-N 4 2 388.644 3.903 20 0 GHADLP Cc1c2cc(Cl)ccc2oc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474482 859285715 /nfs/dbraw/zinc/28/57/15/859285715.db2.gz PRVXHFKVVZVQHM-KRWDZBQOSA-N 2 2 389.927 3.635 20 0 GHADLP Cc1c2cc(Cl)ccc2oc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474482 859285726 /nfs/dbraw/zinc/28/57/26/859285726.db2.gz PRVXHFKVVZVQHM-KRWDZBQOSA-N 2 2 389.927 3.635 20 0 GHADLP Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)oc2c1c(C)ccc2C ZINC000601476409 859286701 /nfs/dbraw/zinc/28/67/01/859286701.db2.gz DGGOVABTPSVSNK-IBGZPJMESA-N 2 2 383.536 3.599 20 0 GHADLP Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)oc2c1c(C)ccc2C ZINC000601476409 859286707 /nfs/dbraw/zinc/28/67/07/859286707.db2.gz DGGOVABTPSVSNK-IBGZPJMESA-N 2 2 383.536 3.599 20 0 GHADLP Cc1cccc(C2(C(=O)N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CCCCC2)c1 ZINC000601476822 859289159 /nfs/dbraw/zinc/28/91/59/859289159.db2.gz KZWKEGBYDYTLCH-HSZRJFAPSA-N 2 2 397.607 3.824 20 0 GHADLP Cc1cccc(C2(C(=O)N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CCCCC2)c1 ZINC000601476822 859289170 /nfs/dbraw/zinc/28/91/70/859289170.db2.gz KZWKEGBYDYTLCH-HSZRJFAPSA-N 2 2 397.607 3.824 20 0 GHADLP CN(C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478223 859289210 /nfs/dbraw/zinc/28/92/10/859289210.db2.gz XUFLVLMQMKGOGI-ZTCOLXNVSA-N 2 2 391.559 3.570 20 0 GHADLP CN(C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478223 859289221 /nfs/dbraw/zinc/28/92/21/859289221.db2.gz XUFLVLMQMKGOGI-ZTCOLXNVSA-N 2 2 391.559 3.570 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000764279090 859347477 /nfs/dbraw/zinc/34/74/77/859347477.db2.gz JOLNEUZRUBEKGU-QFIPXVFZSA-N 2 2 392.547 3.734 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000764279090 859347484 /nfs/dbraw/zinc/34/74/84/859347484.db2.gz JOLNEUZRUBEKGU-QFIPXVFZSA-N 2 2 392.547 3.734 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000113934424 859407234 /nfs/dbraw/zinc/40/72/34/859407234.db2.gz AGKSXKVZECSFQW-UYAOXDASSA-N 2 2 385.552 3.804 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000113934424 859407237 /nfs/dbraw/zinc/40/72/37/859407237.db2.gz AGKSXKVZECSFQW-UYAOXDASSA-N 2 2 385.552 3.804 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000113934424 859407239 /nfs/dbraw/zinc/40/72/39/859407239.db2.gz AGKSXKVZECSFQW-UYAOXDASSA-N 2 2 385.552 3.804 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000113934424 859407244 /nfs/dbraw/zinc/40/72/44/859407244.db2.gz AGKSXKVZECSFQW-UYAOXDASSA-N 2 2 385.552 3.804 20 0 GHADLP O[C@H]1CCC[C@@]1(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)Cc1ccc(F)cc1 ZINC000429459509 859421303 /nfs/dbraw/zinc/42/13/03/859421303.db2.gz WAYHSQXJZYVTFQ-GMAHTHKFSA-N 2 2 383.511 3.553 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(F)ccc(O)c3F)C2)ccn1 ZINC000856558528 881420397 /nfs/dbraw/zinc/42/03/97/881420397.db2.gz IWQGWBNJBQLYMT-QGZVFWFLSA-N 2 2 391.462 3.559 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(F)ccc(O)c3F)C2)ccn1 ZINC000856558528 881420594 /nfs/dbraw/zinc/42/05/94/881420594.db2.gz IWQGWBNJBQLYMT-QGZVFWFLSA-N 2 2 391.462 3.559 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3c(F)ccc(O)c3F)C2)ccn1 ZINC000856558528 881420769 /nfs/dbraw/zinc/42/07/69/881420769.db2.gz IWQGWBNJBQLYMT-QGZVFWFLSA-N 2 2 391.462 3.559 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3c(F)ccc(O)c3F)C2)ccn1 ZINC000856558528 881420903 /nfs/dbraw/zinc/42/09/03/881420903.db2.gz IWQGWBNJBQLYMT-QGZVFWFLSA-N 2 2 391.462 3.559 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000509443594 859458622 /nfs/dbraw/zinc/45/86/22/859458622.db2.gz DCACFAMJFPGTAD-JOCHJYFZSA-N 2 2 375.520 3.862 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000509443594 859458628 /nfs/dbraw/zinc/45/86/28/859458628.db2.gz DCACFAMJFPGTAD-JOCHJYFZSA-N 2 2 375.520 3.862 20 0 GHADLP C[C@@H](C[C@H]1CCOC1)[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000764885444 859660645 /nfs/dbraw/zinc/66/06/45/859660645.db2.gz XKQIYYKHNCYCRR-ZWKOTPCHSA-N 2 2 399.501 3.622 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000483955929 859711079 /nfs/dbraw/zinc/71/10/79/859711079.db2.gz FIIHTDLQISZSTN-SFTDATJTSA-N 3 2 396.579 3.892 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)[NH+]2CCCC2)o1 ZINC000474317670 859844917 /nfs/dbraw/zinc/84/49/17/859844917.db2.gz XVNPABIKLPBHKC-LEWJYISDSA-N 2 2 399.510 3.645 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)[NH+]2CCCC2)o1 ZINC000474317670 859844929 /nfs/dbraw/zinc/84/49/29/859844929.db2.gz XVNPABIKLPBHKC-LEWJYISDSA-N 2 2 399.510 3.645 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCCc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000602203278 859850246 /nfs/dbraw/zinc/85/02/46/859850246.db2.gz ULUDQKFTCUVHJI-MRXNPFEDSA-N 2 2 398.378 3.601 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCCc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000602203278 859850253 /nfs/dbraw/zinc/85/02/53/859850253.db2.gz ULUDQKFTCUVHJI-MRXNPFEDSA-N 2 2 398.378 3.601 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(OCC4CCCCC4)cc3)C2)CC1 ZINC000602195483 859858094 /nfs/dbraw/zinc/85/80/94/859858094.db2.gz NSQYGUYRMSGUOQ-OAQYLSRUSA-N 2 2 399.579 3.544 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(OCC4CCCCC4)cc3)C2)CC1 ZINC000602195483 859858109 /nfs/dbraw/zinc/85/81/09/859858109.db2.gz NSQYGUYRMSGUOQ-OAQYLSRUSA-N 2 2 399.579 3.544 20 0 GHADLP Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(N2CCOCC2)c1 ZINC000484283161 859912324 /nfs/dbraw/zinc/91/23/24/859912324.db2.gz YNGOKLVIURFADS-IBGZPJMESA-N 2 2 376.504 3.868 20 0 GHADLP c1nc([C@H]2CCCO2)sc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000895791866 859946511 /nfs/dbraw/zinc/94/65/11/859946511.db2.gz HJCXNHNRSXWISS-QKNQBKEWSA-N 2 2 383.561 3.949 20 0 GHADLP c1nc([C@H]2CCCO2)sc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000895791866 859946518 /nfs/dbraw/zinc/94/65/18/859946518.db2.gz HJCXNHNRSXWISS-QKNQBKEWSA-N 2 2 383.561 3.949 20 0 GHADLP c1nc([C@H]2CCCO2)sc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000895791866 859946525 /nfs/dbraw/zinc/94/65/25/859946525.db2.gz HJCXNHNRSXWISS-QKNQBKEWSA-N 2 2 383.561 3.949 20 0 GHADLP c1nc([C@H]2CCCO2)sc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000895791866 859946535 /nfs/dbraw/zinc/94/65/35/859946535.db2.gz HJCXNHNRSXWISS-QKNQBKEWSA-N 2 2 383.561 3.949 20 0 GHADLP CC(C)c1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(O)c(C(C)C)c1 ZINC000602330849 859958478 /nfs/dbraw/zinc/95/84/78/859958478.db2.gz WCOBSNXPLZVKHJ-GOSISDBHSA-N 2 2 387.568 3.537 20 0 GHADLP CC(C)c1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(O)c(C(C)C)c1 ZINC000602330849 859958488 /nfs/dbraw/zinc/95/84/88/859958488.db2.gz WCOBSNXPLZVKHJ-GOSISDBHSA-N 2 2 387.568 3.537 20 0 GHADLP CC[NH+](CC)[C@H](CN[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccco1 ZINC000765441497 859976636 /nfs/dbraw/zinc/97/66/36/859976636.db2.gz LTFHNLBEKPIZKW-WPYKKVEZSA-N 2 2 385.552 3.542 20 0 GHADLP CC[NH+](CC)[C@H](CN[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccco1 ZINC000765441497 859976644 /nfs/dbraw/zinc/97/66/44/859976644.db2.gz LTFHNLBEKPIZKW-WPYKKVEZSA-N 2 2 385.552 3.542 20 0 GHADLP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc(C)cc1Br)C[C@H]1CCCO1 ZINC000499904214 860137980 /nfs/dbraw/zinc/13/79/80/860137980.db2.gz AHLMTPXLTMYBSI-GOSISDBHSA-N 2 2 392.341 3.944 20 0 GHADLP Cc1[nH+]ccn1CC[N@H+](Cc1ccc(C)cc1Br)C[C@H]1CCCO1 ZINC000499904214 860137988 /nfs/dbraw/zinc/13/79/88/860137988.db2.gz AHLMTPXLTMYBSI-GOSISDBHSA-N 2 2 392.341 3.944 20 0 GHADLP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C12CCOCC2 ZINC000922536838 860148669 /nfs/dbraw/zinc/14/86/69/860148669.db2.gz LRZRXAGHYDTIQO-QZTJIDSGSA-N 2 2 375.538 3.776 20 0 GHADLP c1ccc(N2CC[NH+](CCC[NH+]3CCC(Cc4cccnc4)CC3)CC2)cc1 ZINC000508964042 860307859 /nfs/dbraw/zinc/30/78/59/860307859.db2.gz OGRQZCDGHNGZAS-UHFFFAOYSA-N 2 2 378.564 3.548 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@](C)(O)c3ccccc3Cl)CC2)cc1 ZINC000765674468 860394416 /nfs/dbraw/zinc/39/44/16/860394416.db2.gz CIZLSCWZQMSYRA-JOCHJYFZSA-N 2 2 387.955 3.872 20 0 GHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000474610941 860491630 /nfs/dbraw/zinc/49/16/30/860491630.db2.gz HWZQNNXQRJVTIH-UXHICEINSA-N 2 2 398.547 3.688 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000922712455 860518107 /nfs/dbraw/zinc/51/81/07/860518107.db2.gz AGAORQRJMJMMAC-INIZCTEOSA-N 2 2 378.442 3.726 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000922712455 860518115 /nfs/dbraw/zinc/51/81/15/860518115.db2.gz AGAORQRJMJMMAC-INIZCTEOSA-N 2 2 378.442 3.726 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cncc(C(F)(F)F)c3)C2)ccn1 ZINC000856584382 881555188 /nfs/dbraw/zinc/55/51/88/881555188.db2.gz IXIWTGDNWYFQNX-IBGZPJMESA-N 2 2 394.441 3.600 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cncc(C(F)(F)F)c3)C2)ccn1 ZINC000856584382 881555195 /nfs/dbraw/zinc/55/51/95/881555195.db2.gz IXIWTGDNWYFQNX-IBGZPJMESA-N 2 2 394.441 3.600 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cncc(C(F)(F)F)c3)C2)ccn1 ZINC000856584382 881555199 /nfs/dbraw/zinc/55/51/99/881555199.db2.gz IXIWTGDNWYFQNX-IBGZPJMESA-N 2 2 394.441 3.600 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cncc(C(F)(F)F)c3)C2)ccn1 ZINC000856584382 881555208 /nfs/dbraw/zinc/55/52/08/881555208.db2.gz IXIWTGDNWYFQNX-IBGZPJMESA-N 2 2 394.441 3.600 20 0 GHADLP CCCCc1nc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cs1 ZINC000856592791 881566565 /nfs/dbraw/zinc/56/65/65/881566565.db2.gz KHIQLIGRJDVABL-HXUWFJFHSA-N 2 2 388.581 3.986 20 0 GHADLP CCCCc1nc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cs1 ZINC000856592791 881566575 /nfs/dbraw/zinc/56/65/75/881566575.db2.gz KHIQLIGRJDVABL-HXUWFJFHSA-N 2 2 388.581 3.986 20 0 GHADLP CCCCc1nc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)cs1 ZINC000856592791 881566579 /nfs/dbraw/zinc/56/65/79/881566579.db2.gz KHIQLIGRJDVABL-HXUWFJFHSA-N 2 2 388.581 3.986 20 0 GHADLP CCCCc1nc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)cs1 ZINC000856592791 881566587 /nfs/dbraw/zinc/56/65/87/881566587.db2.gz KHIQLIGRJDVABL-HXUWFJFHSA-N 2 2 388.581 3.986 20 0 GHADLP CCCCc1nc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cs1 ZINC000856592790 881567621 /nfs/dbraw/zinc/56/76/21/881567621.db2.gz KHIQLIGRJDVABL-FQEVSTJZSA-N 2 2 388.581 3.986 20 0 GHADLP CCCCc1nc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cs1 ZINC000856592790 881567635 /nfs/dbraw/zinc/56/76/35/881567635.db2.gz KHIQLIGRJDVABL-FQEVSTJZSA-N 2 2 388.581 3.986 20 0 GHADLP CCCCc1nc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)cs1 ZINC000856592790 881567652 /nfs/dbraw/zinc/56/76/52/881567652.db2.gz KHIQLIGRJDVABL-FQEVSTJZSA-N 2 2 388.581 3.986 20 0 GHADLP CCCCc1nc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)cs1 ZINC000856592790 881567663 /nfs/dbraw/zinc/56/76/63/881567663.db2.gz KHIQLIGRJDVABL-FQEVSTJZSA-N 2 2 388.581 3.986 20 0 GHADLP CC(C)c1noc([C@H](C)[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)n1 ZINC000856598325 881571011 /nfs/dbraw/zinc/57/10/11/881571011.db2.gz HOWPXUNUJXYQNI-QFBILLFUSA-N 2 2 387.528 3.643 20 0 GHADLP CC(C)c1noc([C@H](C)[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)n1 ZINC000856598325 881571019 /nfs/dbraw/zinc/57/10/19/881571019.db2.gz HOWPXUNUJXYQNI-QFBILLFUSA-N 2 2 387.528 3.643 20 0 GHADLP CC(C)c1noc([C@H](C)[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)n1 ZINC000856598325 881571030 /nfs/dbraw/zinc/57/10/30/881571030.db2.gz HOWPXUNUJXYQNI-QFBILLFUSA-N 2 2 387.528 3.643 20 0 GHADLP CC(C)c1noc([C@H](C)[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)n1 ZINC000856598325 881571044 /nfs/dbraw/zinc/57/10/44/881571044.db2.gz HOWPXUNUJXYQNI-QFBILLFUSA-N 2 2 387.528 3.643 20 0 GHADLP Cn1c2ccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)cc2oc1=O ZINC000509071803 860795599 /nfs/dbraw/zinc/79/55/99/860795599.db2.gz RBKZKUXYCBXOQI-RTWAWAEBSA-N 2 2 391.515 3.618 20 0 GHADLP Cn1c2ccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)cc2oc1=O ZINC000509071803 860795606 /nfs/dbraw/zinc/79/56/06/860795606.db2.gz RBKZKUXYCBXOQI-RTWAWAEBSA-N 2 2 391.515 3.618 20 0 GHADLP Cn1c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2oc1=O ZINC000509071803 860795612 /nfs/dbraw/zinc/79/56/12/860795612.db2.gz RBKZKUXYCBXOQI-RTWAWAEBSA-N 2 2 391.515 3.618 20 0 GHADLP Cn1c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)cc2oc1=O ZINC000509071803 860795618 /nfs/dbraw/zinc/79/56/18/860795618.db2.gz RBKZKUXYCBXOQI-RTWAWAEBSA-N 2 2 391.515 3.618 20 0 GHADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000555430413 860878154 /nfs/dbraw/zinc/87/81/54/860878154.db2.gz ZAQVFZOYBSMJJS-YUXAGFNASA-N 2 2 392.632 3.934 20 0 GHADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000555430413 860878162 /nfs/dbraw/zinc/87/81/62/860878162.db2.gz ZAQVFZOYBSMJJS-YUXAGFNASA-N 2 2 392.632 3.934 20 0 GHADLP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCC(c5[nH]cc[nH+]5)CC4)nc(N)c32)C1 ZINC000329153673 861074388 /nfs/dbraw/zinc/07/43/88/861074388.db2.gz UHEPDQLBHZNJGK-GFCCVEGCSA-N 2 2 382.537 3.501 20 0 GHADLP COc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1OC1CC1 ZINC000623469550 861099236 /nfs/dbraw/zinc/09/92/36/861099236.db2.gz FPPHWFLJCPXCDZ-QGZVFWFLSA-N 2 2 381.520 3.947 20 0 GHADLP CC[NH+](CC)Cc1cc([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)ccc1OC ZINC000182875153 863387709 /nfs/dbraw/zinc/38/77/09/863387709.db2.gz RRCIGXPWDLHAHQ-SFHVURJKSA-N 2 2 398.551 3.942 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000482633932 863407157 /nfs/dbraw/zinc/40/71/57/863407157.db2.gz YEMOYAXSJLFAHV-RHSMWYFYSA-N 2 2 393.325 3.815 20 0 GHADLP Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000522904193 863681839 /nfs/dbraw/zinc/68/18/39/863681839.db2.gz FDOAHUDAQOYGCJ-UHFFFAOYSA-N 2 2 390.487 3.908 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)c1cccc(OC)c1 ZINC000606583083 863732193 /nfs/dbraw/zinc/73/21/93/863732193.db2.gz OIZVTRFYLBGNMY-IBGZPJMESA-N 2 2 381.480 3.548 20 0 GHADLP C[N@H+](Cc1ccc(O[C@H]2CCOC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000667599118 863887034 /nfs/dbraw/zinc/88/70/34/863887034.db2.gz MONNGGLSPXEBQH-DEOSSOPVSA-N 2 2 380.532 3.951 20 0 GHADLP C[N@@H+](Cc1ccc(O[C@H]2CCOC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000667599118 863887046 /nfs/dbraw/zinc/88/70/46/863887046.db2.gz MONNGGLSPXEBQH-DEOSSOPVSA-N 2 2 380.532 3.951 20 0 GHADLP Cc1c(F)cccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000120779144 881721260 /nfs/dbraw/zinc/72/12/60/881721260.db2.gz JEOAQZWUQDSQTE-RTWAWAEBSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1c(F)cccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000120779144 881721271 /nfs/dbraw/zinc/72/12/71/881721271.db2.gz JEOAQZWUQDSQTE-RTWAWAEBSA-N 2 2 390.547 3.935 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H](c3ccccc3)C3CCCCC3)C2)CC1 ZINC000734269166 864107004 /nfs/dbraw/zinc/10/70/04/864107004.db2.gz HYHWXOZDZWWVCK-GMAHTHKFSA-N 2 2 398.595 3.776 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H](c3ccccc3)C3CCCCC3)C2)CC1 ZINC000734269166 864107011 /nfs/dbraw/zinc/10/70/11/864107011.db2.gz HYHWXOZDZWWVCK-GMAHTHKFSA-N 2 2 398.595 3.776 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Nc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000734281175 864117740 /nfs/dbraw/zinc/11/77/40/864117740.db2.gz CPHPMOUIHZANSZ-OAQYLSRUSA-N 2 2 378.520 3.644 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Nc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000734281175 864117743 /nfs/dbraw/zinc/11/77/43/864117743.db2.gz CPHPMOUIHZANSZ-OAQYLSRUSA-N 2 2 378.520 3.644 20 0 GHADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480303038 864447418 /nfs/dbraw/zinc/44/74/18/864447418.db2.gz ZVJJEOLBRYRSBL-MOPGFXCFSA-N 2 2 376.447 3.692 20 0 GHADLP Cc1cc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cn2cc[nH+]c12 ZINC000554594181 864590102 /nfs/dbraw/zinc/59/01/02/864590102.db2.gz HGJSLURKENCWBU-IRXDYDNUSA-N 2 2 378.476 3.504 20 0 GHADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000164856350 864639389 /nfs/dbraw/zinc/63/93/89/864639389.db2.gz SGPGVNYXCCIZSR-GOSISDBHSA-N 2 2 377.960 3.799 20 0 GHADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000164856350 864639392 /nfs/dbraw/zinc/63/93/92/864639392.db2.gz SGPGVNYXCCIZSR-GOSISDBHSA-N 2 2 377.960 3.799 20 0 GHADLP CC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3Br)nc2C)CC1 ZINC000655710058 864647554 /nfs/dbraw/zinc/64/75/54/864647554.db2.gz AIWVFCBQIOPUCF-UHFFFAOYSA-N 2 2 377.330 3.517 20 0 GHADLP CC(C)C[C@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)[NH2+][C@H](C)c1ccccc1 ZINC000475291695 864723580 /nfs/dbraw/zinc/72/35/80/864723580.db2.gz PMFPFLPCZXUBMY-WIYYLYMNSA-N 2 2 393.535 3.899 20 0 GHADLP c1ccc(COC2CC([NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000494511518 881802016 /nfs/dbraw/zinc/80/20/16/881802016.db2.gz HYLZPSVLAWRENL-VHYCJAOWSA-N 2 2 380.532 3.615 20 0 GHADLP c1ccc(COC2CC([NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000494511518 881802034 /nfs/dbraw/zinc/80/20/34/881802034.db2.gz HYLZPSVLAWRENL-VHYCJAOWSA-N 2 2 380.532 3.615 20 0 GHADLP C[C@H]1CC([NH+]2CCC(NC(=O)C(F)(F)F)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062685 864893127 /nfs/dbraw/zinc/89/31/27/864893127.db2.gz LOMUNSNFHIKEEW-HOTGVXAUSA-N 2 2 397.485 3.571 20 0 GHADLP Cc1ccc(C(=O)CC[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000480575328 864898015 /nfs/dbraw/zinc/89/80/15/864898015.db2.gz FKWHBTQQILQKMK-UHFFFAOYSA-N 3 2 385.596 3.696 20 0 GHADLP Cc1ccc(C(=O)CC[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000480575328 864898022 /nfs/dbraw/zinc/89/80/22/864898022.db2.gz FKWHBTQQILQKMK-UHFFFAOYSA-N 3 2 385.596 3.696 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000671191765 864950894 /nfs/dbraw/zinc/95/08/94/864950894.db2.gz AUGRZWREPMBEDK-JOCHJYFZSA-N 2 2 391.515 3.758 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000671191765 864950900 /nfs/dbraw/zinc/95/09/00/864950900.db2.gz AUGRZWREPMBEDK-JOCHJYFZSA-N 2 2 391.515 3.758 20 0 GHADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc3ccccc3C1)CCCO2 ZINC000480817102 865340021 /nfs/dbraw/zinc/34/00/21/865340021.db2.gz KHLNQKFRRZSRHC-FYYLOGMGSA-N 2 2 380.532 3.526 20 0 GHADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc3ccccc3C1)CCCO2 ZINC000480817102 865340034 /nfs/dbraw/zinc/34/00/34/865340034.db2.gz KHLNQKFRRZSRHC-FYYLOGMGSA-N 2 2 380.532 3.526 20 0 GHADLP COc1cc2[nH+]c(NC[C@H](c3cccs3)[NH+]3CCCC3)nc(N)c2cc1OC ZINC000301500039 865392961 /nfs/dbraw/zinc/39/29/61/865392961.db2.gz DGCQRFPVUORTER-OAHLLOKOSA-N 2 2 399.520 3.540 20 0 GHADLP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000302068502 865696582 /nfs/dbraw/zinc/69/65/82/865696582.db2.gz UXLJTFGIOLQIPT-YOFSQIOKSA-N 3 2 378.564 3.853 20 0 GHADLP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000302068502 865696587 /nfs/dbraw/zinc/69/65/87/865696587.db2.gz UXLJTFGIOLQIPT-YOFSQIOKSA-N 3 2 378.564 3.853 20 0 GHADLP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)CC2)CC1 ZINC000090775353 881897212 /nfs/dbraw/zinc/89/72/12/881897212.db2.gz AXRSNZZMMYFICJ-WYVVHKHJSA-N 3 2 384.612 3.925 20 0 GHADLP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)CC2)CC1 ZINC000090775353 881897229 /nfs/dbraw/zinc/89/72/29/881897229.db2.gz AXRSNZZMMYFICJ-WYVVHKHJSA-N 3 2 384.612 3.925 20 0 GHADLP Brc1ccc2c(cc[nH+]c2NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000665707809 865871353 /nfs/dbraw/zinc/87/13/53/865871353.db2.gz YYFRCURUNMXHCL-MRXNPFEDSA-N 2 2 376.298 3.663 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000481177130 865929445 /nfs/dbraw/zinc/92/94/45/865929445.db2.gz ZARXFWKMSGNPPX-KXBFYZLASA-N 2 2 389.902 3.918 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000481177130 865929458 /nfs/dbraw/zinc/92/94/58/865929458.db2.gz ZARXFWKMSGNPPX-KXBFYZLASA-N 2 2 389.902 3.918 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1cc(F)ccc1F ZINC000481181935 865944836 /nfs/dbraw/zinc/94/48/36/865944836.db2.gz ADFCKYQJEJUHMY-GUXCAODWSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1cc(F)ccc1F ZINC000481181935 865944850 /nfs/dbraw/zinc/94/48/50/865944850.db2.gz ADFCKYQJEJUHMY-GUXCAODWSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000481187414 865952965 /nfs/dbraw/zinc/95/29/65/865952965.db2.gz JIUUBVNPWUFVNB-MBSDFSHPSA-N 2 2 377.532 3.614 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000481187414 865952971 /nfs/dbraw/zinc/95/29/71/865952971.db2.gz JIUUBVNPWUFVNB-MBSDFSHPSA-N 2 2 377.532 3.614 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(C)Cc1ccccc1 ZINC000481189551 865968050 /nfs/dbraw/zinc/96/80/50/865968050.db2.gz KFJVYRLYJAYCQP-ZRCGQRJVSA-N 2 2 379.548 3.534 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(C)Cc1ccccc1 ZINC000481189551 865968063 /nfs/dbraw/zinc/96/80/63/865968063.db2.gz KFJVYRLYJAYCQP-ZRCGQRJVSA-N 2 2 379.548 3.534 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(C)Cc1ccccc1 ZINC000481189548 865968182 /nfs/dbraw/zinc/96/81/82/865968182.db2.gz KFJVYRLYJAYCQP-JTAQYXEDSA-N 2 2 379.548 3.534 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(C)Cc1ccccc1 ZINC000481189548 865968193 /nfs/dbraw/zinc/96/81/93/865968193.db2.gz KFJVYRLYJAYCQP-JTAQYXEDSA-N 2 2 379.548 3.534 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+][C@@H]3CC[C@H](C)C[C@H]3C)n2)CC1 ZINC000481192377 865977505 /nfs/dbraw/zinc/97/75/05/865977505.db2.gz QUHDURZNBCFTGS-LZLYRXPVSA-N 2 2 378.586 3.728 20 0 GHADLP CC(C)c1ncc2c(n1)CC[N@@H+](Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000623246173 866125747 /nfs/dbraw/zinc/12/57/47/866125747.db2.gz NCBJSFMTMMONQP-UHFFFAOYSA-N 2 2 380.536 3.633 20 0 GHADLP CC(C)c1ncc2c(n1)CC[N@H+](Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000623246173 866125756 /nfs/dbraw/zinc/12/57/56/866125756.db2.gz NCBJSFMTMMONQP-UHFFFAOYSA-N 2 2 380.536 3.633 20 0 GHADLP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000179108240 866590264 /nfs/dbraw/zinc/59/02/64/866590264.db2.gz AWKHDVQUMBBXMW-IBGZPJMESA-N 2 2 386.971 3.984 20 0 GHADLP CC1CCC(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000534357963 866596372 /nfs/dbraw/zinc/59/63/72/866596372.db2.gz DJNRCGGHRWUENW-NZUHHQEFSA-N 2 2 377.617 3.998 20 0 GHADLP CC1CCC(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000534357963 866596377 /nfs/dbraw/zinc/59/63/77/866596377.db2.gz DJNRCGGHRWUENW-NZUHHQEFSA-N 2 2 377.617 3.998 20 0 GHADLP CN(C(=O)c1cccc(F)c1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359519 866645403 /nfs/dbraw/zinc/64/54/03/866645403.db2.gz KAUAHVAPVFYLDW-MOPGFXCFSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1cccc(F)c1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359519 866645407 /nfs/dbraw/zinc/64/54/07/866645407.db2.gz KAUAHVAPVFYLDW-MOPGFXCFSA-N 2 2 395.950 3.888 20 0 GHADLP CC[N@H+](CCO[C@@H]1CCCCO1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000444670837 867040276 /nfs/dbraw/zinc/04/02/76/867040276.db2.gz XPLBVYGTSKMUQX-OAQYLSRUSA-N 2 2 390.572 3.742 20 0 GHADLP CC[N@@H+](CCO[C@@H]1CCCCO1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000444670837 867040290 /nfs/dbraw/zinc/04/02/90/867040290.db2.gz XPLBVYGTSKMUQX-OAQYLSRUSA-N 2 2 390.572 3.742 20 0 GHADLP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000523315350 867055872 /nfs/dbraw/zinc/05/58/72/867055872.db2.gz SMQZDNGWWSFVNN-UXHICEINSA-N 2 2 382.527 3.816 20 0 GHADLP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000523315350 867055887 /nfs/dbraw/zinc/05/58/87/867055887.db2.gz SMQZDNGWWSFVNN-UXHICEINSA-N 2 2 382.527 3.816 20 0 GHADLP COCCCOc1cccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000742377526 867271136 /nfs/dbraw/zinc/27/11/36/867271136.db2.gz FRBGMPVOVUMKOO-UHFFFAOYSA-N 2 2 397.563 3.927 20 0 GHADLP COc1ccc([C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)N2CCCCC2)cc1 ZINC000154215542 867304548 /nfs/dbraw/zinc/30/45/48/867304548.db2.gz SBYHXRCUHXSISL-QHCPKHFHSA-N 2 2 394.563 3.876 20 0 GHADLP C[C@@H]1CC[N@@H+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000535051555 868040568 /nfs/dbraw/zinc/04/05/68/868040568.db2.gz INDSYBAUKONZGX-OIBXWCBGSA-N 2 2 388.515 3.824 20 0 GHADLP C[C@@H]1CC[N@H+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000535051555 868040649 /nfs/dbraw/zinc/04/06/49/868040649.db2.gz INDSYBAUKONZGX-OIBXWCBGSA-N 2 2 388.515 3.824 20 0 GHADLP CCC1(Cc2ccccc2)CC[NH+](C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000479557932 868052465 /nfs/dbraw/zinc/05/24/65/868052465.db2.gz ZDDTURDUHRUYJG-UHFFFAOYSA-N 2 2 399.623 3.518 20 0 GHADLP C[C@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000535118423 868202274 /nfs/dbraw/zinc/20/22/74/868202274.db2.gz VMPZWPYPEYUOBX-VURPSTOHSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000535118423 868202280 /nfs/dbraw/zinc/20/22/80/868202280.db2.gz VMPZWPYPEYUOBX-VURPSTOHSA-N 2 2 378.605 3.544 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)cn1 ZINC000114171462 868348292 /nfs/dbraw/zinc/34/82/92/868348292.db2.gz KVIPOCKONQYIOZ-UHFFFAOYSA-N 2 2 375.432 3.636 20 0 GHADLP CC[N@@H+](CC(=O)NC1CCCCCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000743872837 868471189 /nfs/dbraw/zinc/47/11/89/868471189.db2.gz BNLIUCNEPUCWPF-UHFFFAOYSA-N 2 2 386.584 3.849 20 0 GHADLP CC[N@H+](CC(=O)NC1CCCCCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000743872837 868471195 /nfs/dbraw/zinc/47/11/95/868471195.db2.gz BNLIUCNEPUCWPF-UHFFFAOYSA-N 2 2 386.584 3.849 20 0 GHADLP CC[C@@H](C)[C@@H]([NH2+]C1CC[NH+](C)CC1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000157167012 868579608 /nfs/dbraw/zinc/57/96/08/868579608.db2.gz ULBJLYGTRUGJCR-AUSIDOKSSA-N 2 2 385.596 3.566 20 0 GHADLP CCC[N@H+](CC)Cc1ccc(-c2nc([C@H]3C[NH+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000445823954 869035100 /nfs/dbraw/zinc/03/51/00/869035100.db2.gz KJKUAUFEJKXGHA-WOJBJXKFSA-N 2 2 384.524 3.894 20 0 GHADLP CCC[N@@H+](CC)Cc1ccc(-c2nc([C@H]3C[NH+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000445823954 869035111 /nfs/dbraw/zinc/03/51/11/869035111.db2.gz KJKUAUFEJKXGHA-WOJBJXKFSA-N 2 2 384.524 3.894 20 0 GHADLP CCC[NH+](CC)Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000445823954 869035122 /nfs/dbraw/zinc/03/51/22/869035122.db2.gz KJKUAUFEJKXGHA-WOJBJXKFSA-N 2 2 384.524 3.894 20 0 GHADLP CCC[NH+](CC)Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000445823954 869035131 /nfs/dbraw/zinc/03/51/31/869035131.db2.gz KJKUAUFEJKXGHA-WOJBJXKFSA-N 2 2 384.524 3.894 20 0 GHADLP CC[C@H](C)[C@@H]([NH2+]CCCn1cc[nH+]c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000539493495 869214818 /nfs/dbraw/zinc/21/48/18/869214818.db2.gz TUKWMGQILXUGQP-NZQKXSOJSA-N 2 2 396.579 3.759 20 0 GHADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000539494210 869215987 /nfs/dbraw/zinc/21/59/87/869215987.db2.gz BRJGYFUMZUKFKH-KRWDZBQOSA-N 2 2 385.552 3.897 20 0 GHADLP Cn1cc(-c2ccc(C[NH2+][C@@H](Cc3[nH+]ccn3C)c3ccccc3)s2)cn1 ZINC000669830036 869333799 /nfs/dbraw/zinc/33/37/99/869333799.db2.gz PKLWGAGNZYJACU-IBGZPJMESA-N 2 2 377.517 3.956 20 0 GHADLP CC(C)[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000539658765 869547280 /nfs/dbraw/zinc/54/72/80/869547280.db2.gz HDLZBTSWCYYDDX-UWJYYQICSA-N 2 2 395.507 3.878 20 0 GHADLP O[C@@H](C[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1)C[NH+]1CCCC1 ZINC000446751853 870295748 /nfs/dbraw/zinc/29/57/48/870295748.db2.gz MLQYSHWEZUQWMX-YOEHRIQHSA-N 2 2 387.749 3.600 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000525274746 870306905 /nfs/dbraw/zinc/30/69/05/870306905.db2.gz BUKZIFOCAWEMDT-ZCNNSNEGSA-N 2 2 383.580 3.549 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000525274746 870306927 /nfs/dbraw/zinc/30/69/27/870306927.db2.gz BUKZIFOCAWEMDT-ZCNNSNEGSA-N 2 2 383.580 3.549 20 0 GHADLP COC(=O)CCC[NH+]1CCC(Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000462914526 870389979 /nfs/dbraw/zinc/38/99/79/870389979.db2.gz RAHLLBLSPPZQFJ-UHFFFAOYSA-N 2 2 396.535 3.716 20 0 GHADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000446822275 870461504 /nfs/dbraw/zinc/46/15/04/870461504.db2.gz VUJYSKINUQYOGZ-ZEQRLZLVSA-N 2 2 389.547 3.972 20 0 GHADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000446822275 870461510 /nfs/dbraw/zinc/46/15/10/870461510.db2.gz VUJYSKINUQYOGZ-ZEQRLZLVSA-N 2 2 389.547 3.972 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000248628718 870557178 /nfs/dbraw/zinc/55/71/78/870557178.db2.gz GBKWIGIQXLMKQM-HTAPYJJXSA-N 2 2 380.511 3.755 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000248628718 870557197 /nfs/dbraw/zinc/55/71/97/870557197.db2.gz GBKWIGIQXLMKQM-HTAPYJJXSA-N 2 2 380.511 3.755 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)n2C ZINC000248642555 870571490 /nfs/dbraw/zinc/57/14/90/870571490.db2.gz OUBXOIHIQZGSDW-CEWLAPEOSA-N 2 2 390.531 3.582 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)n2C ZINC000248642555 870571502 /nfs/dbraw/zinc/57/15/02/870571502.db2.gz OUBXOIHIQZGSDW-CEWLAPEOSA-N 2 2 390.531 3.582 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000446978550 870800964 /nfs/dbraw/zinc/80/09/64/870800964.db2.gz YCNRVBRGVMFONO-PBHICJAKSA-N 2 2 379.932 3.672 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000446978550 870800974 /nfs/dbraw/zinc/80/09/74/870800974.db2.gz YCNRVBRGVMFONO-PBHICJAKSA-N 2 2 379.932 3.672 20 0 GHADLP COc1cccc2[nH]cc(CC[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)c21 ZINC000181338736 870877313 /nfs/dbraw/zinc/87/73/13/870877313.db2.gz KKFCUAMYYQFCLV-UHFFFAOYSA-N 2 2 388.515 3.845 20 0 GHADLP CCOc1c(OC)cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1OC ZINC000447076643 870995747 /nfs/dbraw/zinc/99/57/47/870995747.db2.gz IGUYNACVKHKSJC-UHFFFAOYSA-N 2 2 386.492 3.849 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000429718068 871037380 /nfs/dbraw/zinc/03/73/80/871037380.db2.gz DRYGBNZJHMAUGB-IEBWSBKVSA-N 2 2 381.520 3.542 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CN1Cc1ccccc1 ZINC000463191693 871098145 /nfs/dbraw/zinc/09/81/45/871098145.db2.gz NKXBCQQAHLWYCQ-SQJMNOBHSA-N 2 2 377.576 3.946 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C1)C2 ZINC001169126074 871215243 /nfs/dbraw/zinc/21/52/43/871215243.db2.gz ORXCBVVGZZPDAB-CIAFKFPVSA-N 2 2 399.579 3.776 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C1)C2 ZINC001169126074 871215259 /nfs/dbraw/zinc/21/52/59/871215259.db2.gz ORXCBVVGZZPDAB-CIAFKFPVSA-N 2 2 399.579 3.776 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C1)C2 ZINC001169126074 871215276 /nfs/dbraw/zinc/21/52/76/871215276.db2.gz ORXCBVVGZZPDAB-CIAFKFPVSA-N 2 2 399.579 3.776 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C1)C2 ZINC001169126074 871215286 /nfs/dbraw/zinc/21/52/86/871215286.db2.gz ORXCBVVGZZPDAB-CIAFKFPVSA-N 2 2 399.579 3.776 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C1)C2 ZINC001169126073 871215593 /nfs/dbraw/zinc/21/55/93/871215593.db2.gz ORXCBVVGZZPDAB-CBPXPLCBSA-N 2 2 399.579 3.776 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C1)C2 ZINC001169126073 871215609 /nfs/dbraw/zinc/21/56/09/871215609.db2.gz ORXCBVVGZZPDAB-CBPXPLCBSA-N 2 2 399.579 3.776 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C1)C2 ZINC001169126073 871215623 /nfs/dbraw/zinc/21/56/23/871215623.db2.gz ORXCBVVGZZPDAB-CBPXPLCBSA-N 2 2 399.579 3.776 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C1)C2 ZINC001169126073 871215638 /nfs/dbraw/zinc/21/56/38/871215638.db2.gz ORXCBVVGZZPDAB-CBPXPLCBSA-N 2 2 399.579 3.776 20 0 GHADLP OC[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1C(F)(F)F ZINC000539065844 871239529 /nfs/dbraw/zinc/23/95/29/871239529.db2.gz KVQLNEYRTSHSPZ-MRXNPFEDSA-N 2 2 393.453 3.510 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000463242270 871243646 /nfs/dbraw/zinc/24/36/46/871243646.db2.gz GBJKXQJBJNVPTF-YFXJRYMSSA-N 2 2 395.522 3.569 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000463242270 871243658 /nfs/dbraw/zinc/24/36/58/871243658.db2.gz GBJKXQJBJNVPTF-YFXJRYMSSA-N 2 2 395.522 3.569 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000463304149 871393724 /nfs/dbraw/zinc/39/37/24/871393724.db2.gz JGLICEHJXYOGRA-RTBURBONSA-N 2 2 392.613 3.504 20 0 GHADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000463304149 871393745 /nfs/dbraw/zinc/39/37/45/871393745.db2.gz JGLICEHJXYOGRA-RTBURBONSA-N 2 2 392.613 3.504 20 0 GHADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000462002792 871428887 /nfs/dbraw/zinc/42/88/87/871428887.db2.gz NDFDSRHKWBWQML-QMMLZNLJSA-N 2 2 383.540 3.531 20 0 GHADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000462002792 871428894 /nfs/dbraw/zinc/42/88/94/871428894.db2.gz NDFDSRHKWBWQML-QMMLZNLJSA-N 2 2 383.540 3.531 20 0 GHADLP Cc1cc2cccnc2c(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000092147329 871478782 /nfs/dbraw/zinc/47/87/82/871478782.db2.gz LEJQPUBWKJADEC-UHFFFAOYSA-N 2 2 395.551 3.615 20 0 GHADLP COc1cccc2c(N3CC[NH+](CCCOCC(F)(F)F)CC3)cc(C)[nH+]c12 ZINC000539189750 871507850 /nfs/dbraw/zinc/50/78/50/871507850.db2.gz DQGQNHDGZNZGKC-UHFFFAOYSA-N 2 2 397.441 3.643 20 0 GHADLP Cc1cc(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)ccc1[NH+](C)C ZINC001169519495 871591715 /nfs/dbraw/zinc/59/17/15/871591715.db2.gz KGXSWTGSYJOERB-DENIHFKCSA-N 2 2 381.520 3.932 20 0 GHADLP O[C@@H](C(F)F)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000462113644 871637681 /nfs/dbraw/zinc/63/76/81/871637681.db2.gz TWUBULKLEGPBJL-FGZHOGPDSA-N 2 2 388.502 3.520 20 0 GHADLP C[C@@H]1C[N@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC001169687149 871757661 /nfs/dbraw/zinc/75/76/61/871757661.db2.gz PTDSPGWWTNUDFH-NQHRYMMQSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1C[N@@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC001169687149 871757672 /nfs/dbraw/zinc/75/76/72/871757672.db2.gz PTDSPGWWTNUDFH-NQHRYMMQSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1C[NH+](C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC001169687149 871757678 /nfs/dbraw/zinc/75/76/78/871757678.db2.gz PTDSPGWWTNUDFH-NQHRYMMQSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1C[NH+](C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC001169687149 871757686 /nfs/dbraw/zinc/75/76/86/871757686.db2.gz PTDSPGWWTNUDFH-NQHRYMMQSA-N 2 2 394.559 3.782 20 0 GHADLP CC(C)[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000447530829 871763403 /nfs/dbraw/zinc/76/34/03/871763403.db2.gz PDDXQNSZFZBTHQ-FCHUYYIVSA-N 2 2 392.547 3.595 20 0 GHADLP CCOC(=O)N1CCC[C@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001169713822 871803682 /nfs/dbraw/zinc/80/36/82/871803682.db2.gz QVVMTSJWJYKTCZ-FQEVSTJZSA-N 2 2 391.531 3.733 20 0 GHADLP CCOC(=O)N1CCC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001169713822 871803701 /nfs/dbraw/zinc/80/37/01/871803701.db2.gz QVVMTSJWJYKTCZ-FQEVSTJZSA-N 2 2 391.531 3.733 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C2 ZINC000525979544 871850233 /nfs/dbraw/zinc/85/02/33/871850233.db2.gz ZHIVDIVLPJTFFW-CRAIPNDOSA-N 2 2 386.565 3.653 20 0 GHADLP CCn1c2ccc(Cl)cc2[nH+]c1NCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000463529403 871946061 /nfs/dbraw/zinc/94/60/61/871946061.db2.gz YVUIRTXUPBKIBT-UHFFFAOYSA-N 2 2 389.956 3.967 20 0 GHADLP CCn1c2ccc(Cl)cc2[nH+]c1NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000463529403 871946070 /nfs/dbraw/zinc/94/60/70/871946070.db2.gz YVUIRTXUPBKIBT-UHFFFAOYSA-N 2 2 389.956 3.967 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N3CCOCC3)c2)C[N@H+](Cc2ccccc2)C1 ZINC000552085181 871984996 /nfs/dbraw/zinc/98/49/96/871984996.db2.gz SUVQUXWPYCNVRE-NZQKXSOJSA-N 2 2 379.548 3.523 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N3CCOCC3)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000552085181 871985003 /nfs/dbraw/zinc/98/50/03/871985003.db2.gz SUVQUXWPYCNVRE-NZQKXSOJSA-N 2 2 379.548 3.523 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-n2ccnc2)cc1 ZINC000540757100 872071148 /nfs/dbraw/zinc/07/11/48/872071148.db2.gz XVHYPXIFMUIEEK-UTKZUKDTSA-N 2 2 376.508 3.581 20 0 GHADLP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000447682169 872094283 /nfs/dbraw/zinc/09/42/83/872094283.db2.gz WDKLOMZRWPTTTP-LJQANCHMSA-N 2 2 384.568 3.580 20 0 GHADLP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000447682169 872094306 /nfs/dbraw/zinc/09/43/06/872094306.db2.gz WDKLOMZRWPTTTP-LJQANCHMSA-N 2 2 384.568 3.580 20 0 GHADLP CCCCC[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000115675703 882587178 /nfs/dbraw/zinc/58/71/78/882587178.db2.gz MXEAASNQFMJLDA-FQEVSTJZSA-N 2 2 380.621 3.839 20 0 GHADLP C[C@@H](C1CCCCC1)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000447770246 872258594 /nfs/dbraw/zinc/25/85/94/872258594.db2.gz SBLIPSRCNYWXMA-IBGZPJMESA-N 2 2 378.605 3.547 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC000527013377 872472264 /nfs/dbraw/zinc/47/22/64/872472264.db2.gz OHAZLBWAEOYTJL-RLLQIKCJSA-N 2 2 394.563 3.807 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC000527013377 872472275 /nfs/dbraw/zinc/47/22/75/872472275.db2.gz OHAZLBWAEOYTJL-RLLQIKCJSA-N 2 2 394.563 3.807 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000527013377 872472284 /nfs/dbraw/zinc/47/22/84/872472284.db2.gz OHAZLBWAEOYTJL-RLLQIKCJSA-N 2 2 394.563 3.807 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000527013377 872472298 /nfs/dbraw/zinc/47/22/98/872472298.db2.gz OHAZLBWAEOYTJL-RLLQIKCJSA-N 2 2 394.563 3.807 20 0 GHADLP Clc1cc(Cl)c2nc(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)cn2c1 ZINC001195536844 872475318 /nfs/dbraw/zinc/47/53/18/872475318.db2.gz RPDWSCYLQIPEIT-UHFFFAOYSA-N 2 2 376.291 3.748 20 0 GHADLP Clc1cc(Cl)c2nc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)cn2c1 ZINC001195536844 872475329 /nfs/dbraw/zinc/47/53/29/872475329.db2.gz RPDWSCYLQIPEIT-UHFFFAOYSA-N 2 2 376.291 3.748 20 0 GHADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cc2ccccc2s1 ZINC000527194281 872765544 /nfs/dbraw/zinc/76/55/44/872765544.db2.gz NYOWWZNWWJMWSG-MRXNPFEDSA-N 2 2 399.585 3.958 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000152920683 872972932 /nfs/dbraw/zinc/97/29/32/872972932.db2.gz QNTABKJLGSCXPX-BEFAXECRSA-N 2 2 397.548 3.905 20 0 GHADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000541183095 873103469 /nfs/dbraw/zinc/10/34/69/873103469.db2.gz NFDKCQAIJWFZIE-LJQANCHMSA-N 2 2 389.588 3.595 20 0 GHADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000541183095 873103478 /nfs/dbraw/zinc/10/34/78/873103478.db2.gz NFDKCQAIJWFZIE-LJQANCHMSA-N 2 2 389.588 3.595 20 0 GHADLP C[N@H+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001196574986 873232642 /nfs/dbraw/zinc/23/26/42/873232642.db2.gz RFAFBANMNGHYSU-CCDWMCETSA-N 2 2 394.559 3.866 20 0 GHADLP C[N@@H+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001196574986 873232649 /nfs/dbraw/zinc/23/26/49/873232649.db2.gz RFAFBANMNGHYSU-CCDWMCETSA-N 2 2 394.559 3.866 20 0 GHADLP C[NH+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001196574986 873232660 /nfs/dbraw/zinc/23/26/60/873232660.db2.gz RFAFBANMNGHYSU-CCDWMCETSA-N 2 2 394.559 3.866 20 0 GHADLP C[NH+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001196574986 873232665 /nfs/dbraw/zinc/23/26/65/873232665.db2.gz RFAFBANMNGHYSU-CCDWMCETSA-N 2 2 394.559 3.866 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC(C)(C)[N@@H+]1CCc3ccccc3C1)C2 ZINC000527528339 873250126 /nfs/dbraw/zinc/25/01/26/873250126.db2.gz UEQWZDNKVFNVIJ-SFHVURJKSA-N 2 2 394.563 3.591 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC(C)(C)[N@H+]1CCc3ccccc3C1)C2 ZINC000527528339 873250142 /nfs/dbraw/zinc/25/01/42/873250142.db2.gz UEQWZDNKVFNVIJ-SFHVURJKSA-N 2 2 394.563 3.591 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)cs2)cn1 ZINC000527669824 873431999 /nfs/dbraw/zinc/43/19/99/873431999.db2.gz ZFZBZEVTCLBNPW-KSSFIOAISA-N 2 2 387.578 3.778 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)cs2)cn1 ZINC000527669824 873432005 /nfs/dbraw/zinc/43/20/05/873432005.db2.gz ZFZBZEVTCLBNPW-KSSFIOAISA-N 2 2 387.578 3.778 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527752701 873558541 /nfs/dbraw/zinc/55/85/41/873558541.db2.gz OCPSKRGTRULDNF-IBGZPJMESA-N 2 2 389.971 3.941 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527752701 873558549 /nfs/dbraw/zinc/55/85/49/873558549.db2.gz OCPSKRGTRULDNF-IBGZPJMESA-N 2 2 389.971 3.941 20 0 GHADLP C[NH+]1CCC(CNC(=O)CCc2ccc(C(C)(C)C)cc2)([NH+]2CCCCC2)CC1 ZINC000460483902 882739034 /nfs/dbraw/zinc/73/90/34/882739034.db2.gz URYKCGSROWPCRU-UHFFFAOYSA-N 2 2 399.623 3.983 20 0 GHADLP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000541467477 873623961 /nfs/dbraw/zinc/62/39/61/873623961.db2.gz WMWNAYLXRDWTHM-FQEVSTJZSA-N 2 2 398.595 3.970 20 0 GHADLP CC[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000464314959 873637282 /nfs/dbraw/zinc/63/72/82/873637282.db2.gz CDWQWUZIGGUXIR-ZRBLBEILSA-N 2 2 385.596 3.976 20 0 GHADLP CC[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000464314959 873637287 /nfs/dbraw/zinc/63/72/87/873637287.db2.gz CDWQWUZIGGUXIR-ZRBLBEILSA-N 2 2 385.596 3.976 20 0 GHADLP Cc1cc(-c2noc([C@@H](C)[N@@H+]3CCN(c4cc[nH+]cc4)[C@H](C)C3)n2)ccc1F ZINC001197368624 873778227 /nfs/dbraw/zinc/77/82/27/873778227.db2.gz KGDLBKRAPHZUNM-HZPDHXFCSA-N 2 2 381.455 3.851 20 0 GHADLP Cc1cc(-c2noc([C@@H](C)[N@H+]3CCN(c4cc[nH+]cc4)[C@H](C)C3)n2)ccc1F ZINC001197368624 873778238 /nfs/dbraw/zinc/77/82/38/873778238.db2.gz KGDLBKRAPHZUNM-HZPDHXFCSA-N 2 2 381.455 3.851 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527946256 873791189 /nfs/dbraw/zinc/79/11/89/873791189.db2.gz HFUPLCJZVSYOHD-OXQOHEQNSA-N 2 2 379.570 3.506 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527946256 873791195 /nfs/dbraw/zinc/79/11/95/873791195.db2.gz HFUPLCJZVSYOHD-OXQOHEQNSA-N 2 2 379.570 3.506 20 0 GHADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCC(=O)Nc2ccccc21)c1ccccc1 ZINC000541543467 873802467 /nfs/dbraw/zinc/80/24/67/873802467.db2.gz JVFVFNYUYYYQEU-RBBKRZOGSA-N 2 2 381.520 3.759 20 0 GHADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCC(=O)Nc2ccccc21)c1ccccc1 ZINC000541543467 873802475 /nfs/dbraw/zinc/80/24/75/873802475.db2.gz JVFVFNYUYYYQEU-RBBKRZOGSA-N 2 2 381.520 3.759 20 0 GHADLP Fc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(F)cc1Br ZINC000527984453 873887208 /nfs/dbraw/zinc/88/72/08/873887208.db2.gz ZBORSSDPMVYLMA-UHFFFAOYSA-N 2 2 382.252 3.881 20 0 GHADLP COc1ccc(Br)c(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)c1 ZINC001197930588 874117165 /nfs/dbraw/zinc/11/71/65/874117165.db2.gz QYUHRWANGKPVKF-CQSZACIVSA-N 2 2 376.298 3.563 20 0 GHADLP COc1ccc(Br)c(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)c1 ZINC001197930588 874117168 /nfs/dbraw/zinc/11/71/68/874117168.db2.gz QYUHRWANGKPVKF-CQSZACIVSA-N 2 2 376.298 3.563 20 0 GHADLP CN(CCCc1ccccc1)C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198018927 874165983 /nfs/dbraw/zinc/16/59/83/874165983.db2.gz NOSFWEUJUSDTBM-UHFFFAOYSA-N 2 2 381.564 3.775 20 0 GHADLP CN(CCCc1ccccc1)C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198018927 874165988 /nfs/dbraw/zinc/16/59/88/874165988.db2.gz NOSFWEUJUSDTBM-UHFFFAOYSA-N 2 2 381.564 3.775 20 0 GHADLP CC[C@H](NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1)c1ccccc1OC ZINC001198036881 874192549 /nfs/dbraw/zinc/19/25/49/874192549.db2.gz PYINMHKFVROVMS-QFIPXVFZSA-N 2 2 397.563 3.960 20 0 GHADLP CC[C@H](NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1)c1ccccc1OC ZINC001198036881 874192554 /nfs/dbraw/zinc/19/25/54/874192554.db2.gz PYINMHKFVROVMS-QFIPXVFZSA-N 2 2 397.563 3.960 20 0 GHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H](c3ccccc3)c3cncnc3)c2)CCO1 ZINC000541741440 874201949 /nfs/dbraw/zinc/20/19/49/874201949.db2.gz JOVDOSNDNPGZRB-CYFREDJKSA-N 2 2 388.515 3.577 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H](c3ccccc3)c3cncnc3)c2)CCO1 ZINC000541741440 874201962 /nfs/dbraw/zinc/20/19/62/874201962.db2.gz JOVDOSNDNPGZRB-CYFREDJKSA-N 2 2 388.515 3.577 20 0 GHADLP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000476661024 882810572 /nfs/dbraw/zinc/81/05/72/882810572.db2.gz CNCXYOWEVMXAHD-IBGZPJMESA-N 2 2 388.600 3.999 20 0 GHADLP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000476661024 882810583 /nfs/dbraw/zinc/81/05/83/882810583.db2.gz CNCXYOWEVMXAHD-IBGZPJMESA-N 2 2 388.600 3.999 20 0 GHADLP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000769962764 874367101 /nfs/dbraw/zinc/36/71/01/874367101.db2.gz QHFOXKUWZHECOJ-PXNSSMCTSA-N 2 2 396.535 3.742 20 0 GHADLP COc1cccc(Sc2ccccc2C[N@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000449031926 874372276 /nfs/dbraw/zinc/37/22/76/874372276.db2.gz XYPPQWBVQIVION-UHFFFAOYSA-N 2 2 386.561 3.735 20 0 GHADLP COc1cccc(Sc2ccccc2C[N@@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000449031926 874372292 /nfs/dbraw/zinc/37/22/92/874372292.db2.gz XYPPQWBVQIVION-UHFFFAOYSA-N 2 2 386.561 3.735 20 0 GHADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000449061998 874399114 /nfs/dbraw/zinc/39/91/14/874399114.db2.gz KEDVAQQFCHUDIE-GOSISDBHSA-N 2 2 376.422 3.713 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000464780939 874478930 /nfs/dbraw/zinc/47/89/30/874478930.db2.gz UMILEYKAHZQRNA-UFYCRDLUSA-N 2 2 385.596 3.795 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000464780939 874478939 /nfs/dbraw/zinc/47/89/39/874478939.db2.gz UMILEYKAHZQRNA-UFYCRDLUSA-N 2 2 385.596 3.795 20 0 GHADLP CC[N@H+](C[C@@H](O)COc1c(C)cccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464803750 874515515 /nfs/dbraw/zinc/51/55/15/874515515.db2.gz AGINEEWQODJKTN-JOCHJYFZSA-N 2 2 397.563 3.677 20 0 GHADLP CC[N@@H+](C[C@@H](O)COc1c(C)cccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464803750 874515519 /nfs/dbraw/zinc/51/55/19/874515519.db2.gz AGINEEWQODJKTN-JOCHJYFZSA-N 2 2 397.563 3.677 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000464827773 874589333 /nfs/dbraw/zinc/58/93/33/874589333.db2.gz CZRJFBLUHMLDKK-ZJOUEHCJSA-N 2 2 397.538 3.845 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000464827773 874589339 /nfs/dbraw/zinc/58/93/39/874589339.db2.gz CZRJFBLUHMLDKK-ZJOUEHCJSA-N 2 2 397.538 3.845 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000464827773 874589345 /nfs/dbraw/zinc/58/93/45/874589345.db2.gz CZRJFBLUHMLDKK-ZJOUEHCJSA-N 2 2 397.538 3.845 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000464827773 874589349 /nfs/dbraw/zinc/58/93/49/874589349.db2.gz CZRJFBLUHMLDKK-ZJOUEHCJSA-N 2 2 397.538 3.845 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H](O)CCOCc2ccccc2)C1 ZINC001198791802 874636391 /nfs/dbraw/zinc/63/63/91/874636391.db2.gz YZMNTBPGLCTNPK-RTWAWAEBSA-N 2 2 385.552 3.785 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H](O)CCOCc2ccccc2)C1 ZINC001198791802 874636394 /nfs/dbraw/zinc/63/63/94/874636394.db2.gz YZMNTBPGLCTNPK-RTWAWAEBSA-N 2 2 385.552 3.785 20 0 GHADLP CC[N@@H+](Cc1cnn(C)c1C(F)(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464878816 874671822 /nfs/dbraw/zinc/67/18/22/874671822.db2.gz ZAKIMKCTAHQOLS-UHFFFAOYSA-N 2 2 381.446 3.572 20 0 GHADLP CC[N@H+](Cc1cnn(C)c1C(F)(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464878816 874671827 /nfs/dbraw/zinc/67/18/27/874671827.db2.gz ZAKIMKCTAHQOLS-UHFFFAOYSA-N 2 2 381.446 3.572 20 0 GHADLP COc1ccc(-n2cc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cn2)cc1 ZINC000449326680 874708915 /nfs/dbraw/zinc/70/89/15/874708915.db2.gz YAUGQTKXXRXDBG-UHFFFAOYSA-N 2 2 379.508 3.770 20 0 GHADLP FC(F)Oc1ccc(Br)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000842670022 874814089 /nfs/dbraw/zinc/81/40/89/874814089.db2.gz QGKWLGPHQYIBFP-LLVKDONJSA-N 2 2 375.257 3.624 20 0 GHADLP FC(F)Oc1ccc(Br)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000842670022 874814106 /nfs/dbraw/zinc/81/41/06/874814106.db2.gz QGKWLGPHQYIBFP-LLVKDONJSA-N 2 2 375.257 3.624 20 0 GHADLP COc1nc(Cl)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1C ZINC001199267946 874883816 /nfs/dbraw/zinc/88/38/16/874883816.db2.gz SWSIBSFABWWZBP-HNNXBMFYSA-N 2 2 376.932 3.604 20 0 GHADLP COc1nc(Cl)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)n1C ZINC001199267946 874883826 /nfs/dbraw/zinc/88/38/26/874883826.db2.gz SWSIBSFABWWZBP-HNNXBMFYSA-N 2 2 376.932 3.604 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCOc3ccc(Cl)c(F)c3)sc2C1 ZINC000449484005 874934514 /nfs/dbraw/zinc/93/45/14/874934514.db2.gz DRZRIXNZFQFGFF-UHFFFAOYSA-N 2 2 383.920 3.871 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH2+]CCOc3ccc(Cl)c(F)c3)sc2C1 ZINC000449484005 874934521 /nfs/dbraw/zinc/93/45/21/874934521.db2.gz DRZRIXNZFQFGFF-UHFFFAOYSA-N 2 2 383.920 3.871 20 0 GHADLP FC(F)(F)Cc1ccccc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001199392275 874938734 /nfs/dbraw/zinc/93/87/34/874938734.db2.gz RMVWZRZLNXTMRL-UHFFFAOYSA-N 2 2 378.438 3.913 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3cc4c(cc(C)cc4C)[nH]3)C2)CC1 ZINC000449494577 874978304 /nfs/dbraw/zinc/97/83/04/874978304.db2.gz GXJJHLIJPMIBOV-NRFANRHFSA-N 2 2 396.579 3.551 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3cc4c(cc(C)cc4C)[nH]3)C2)CC1 ZINC000449494577 874978314 /nfs/dbraw/zinc/97/83/14/874978314.db2.gz GXJJHLIJPMIBOV-NRFANRHFSA-N 2 2 396.579 3.551 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3cc4c(cc(C)cc4C)[nH]3)C2)CC1 ZINC000449494577 874978323 /nfs/dbraw/zinc/97/83/23/874978323.db2.gz GXJJHLIJPMIBOV-NRFANRHFSA-N 2 2 396.579 3.551 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc4c(cc(C)cc4C)[nH]3)C2)CC1 ZINC000449494577 874978336 /nfs/dbraw/zinc/97/83/36/874978336.db2.gz GXJJHLIJPMIBOV-NRFANRHFSA-N 2 2 396.579 3.551 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cccc4cc[nH]c43)CC2)cc1 ZINC000449523493 874998033 /nfs/dbraw/zinc/99/80/33/874998033.db2.gz LKNQDRGIDZAKFK-UHFFFAOYSA-N 2 2 376.504 3.881 20 0 GHADLP CCCn1nc(C)c(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1C ZINC000449525013 875003386 /nfs/dbraw/zinc/00/33/86/875003386.db2.gz QFYNLUGPGGZPRX-UHFFFAOYSA-N 2 2 397.567 3.623 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@H]3c3ccc(Cl)cc3)cn2)CC1 ZINC000449570196 875062016 /nfs/dbraw/zinc/06/20/16/875062016.db2.gz JIRVBPOFIREBBM-FQEVSTJZSA-N 2 2 385.943 3.609 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@H]3c3ccc(Cl)cc3)cn2)CC1 ZINC000449570196 875062021 /nfs/dbraw/zinc/06/20/21/875062021.db2.gz JIRVBPOFIREBBM-FQEVSTJZSA-N 2 2 385.943 3.609 20 0 GHADLP CC(C)(C)Oc1cccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001199777292 875181347 /nfs/dbraw/zinc/18/13/47/875181347.db2.gz PNNMPYGCABUIQD-UHFFFAOYSA-N 2 2 398.547 3.865 20 0 GHADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000528875829 875198715 /nfs/dbraw/zinc/19/87/15/875198715.db2.gz LRDUFFUUHPYCHY-GOSISDBHSA-N 2 2 391.585 3.658 20 0 GHADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000528875829 875198721 /nfs/dbraw/zinc/19/87/21/875198721.db2.gz LRDUFFUUHPYCHY-GOSISDBHSA-N 2 2 391.585 3.658 20 0 GHADLP C[C@@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000776217335 875891260 /nfs/dbraw/zinc/89/12/60/875891260.db2.gz LMDKXXYTNWMIMU-HXUWFJFHSA-N 2 2 382.552 3.806 20 0 GHADLP C[NH+]1CCC(CNC(=O)CCc2ccc3ccccc3c2)([NH+]2CCCCC2)CC1 ZINC000172750745 875900326 /nfs/dbraw/zinc/90/03/26/875900326.db2.gz NVHMQRZJBBQXMU-UHFFFAOYSA-N 2 2 393.575 3.839 20 0 GHADLP CN(C(=O)c1ccc2cnccc2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450228465 876092135 /nfs/dbraw/zinc/09/21/35/876092135.db2.gz UNLUPBWRZSHRAC-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccc2cnccc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450228465 876092145 /nfs/dbraw/zinc/09/21/45/876092145.db2.gz UNLUPBWRZSHRAC-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000492197633 876390302 /nfs/dbraw/zinc/39/03/02/876390302.db2.gz RTGWVZLFMVJSTP-RPWUZVMVSA-N 2 2 387.527 3.859 20 0 GHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000492197633 876390311 /nfs/dbraw/zinc/39/03/11/876390311.db2.gz RTGWVZLFMVJSTP-RPWUZVMVSA-N 2 2 387.527 3.859 20 0 GHADLP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000913891426 876676584 /nfs/dbraw/zinc/67/65/84/876676584.db2.gz QCYLHQVKSDMDEN-GOSISDBHSA-N 2 2 399.564 3.566 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3(C(=O)OC(C)(C)C)CCC3)CC2)cc1 ZINC000850412760 876891131 /nfs/dbraw/zinc/89/11/31/876891131.db2.gz JXCXHGPDNZYFAM-UHFFFAOYSA-N 2 2 387.568 3.823 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1Cl ZINC000850514381 876984796 /nfs/dbraw/zinc/98/47/96/876984796.db2.gz TUFBSQLRIMDBQO-LDLYASANSA-N 2 2 399.922 3.807 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1Cl ZINC000850514381 876984802 /nfs/dbraw/zinc/98/48/02/876984802.db2.gz TUFBSQLRIMDBQO-LDLYASANSA-N 2 2 399.922 3.807 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000850531918 877003559 /nfs/dbraw/zinc/00/35/59/877003559.db2.gz OBADJMVKERCUNA-KURKYZTESA-N 2 2 391.462 3.661 20 0 GHADLP CC[N@H+](CCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183049260 912219188 /nfs/dbraw/zinc/21/91/88/912219188.db2.gz ADKBNYIZJZALPS-ICSRJNTNSA-N 2 2 398.551 3.555 20 0 GHADLP CC[N@@H+](CCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183049260 912219208 /nfs/dbraw/zinc/21/92/08/912219208.db2.gz ADKBNYIZJZALPS-ICSRJNTNSA-N 2 2 398.551 3.555 20 0 GHADLP CC[N@H+](CCCC(=O)Nc1ccn2cc[nH+]c2c1)[C@H](C)Cc1ccc(O)cc1 ZINC001183048713 912219689 /nfs/dbraw/zinc/21/96/89/912219689.db2.gz PEJHUGAWKALREO-QGZVFWFLSA-N 2 2 380.492 3.712 20 0 GHADLP CC[N@@H+](CCCC(=O)Nc1ccn2cc[nH+]c2c1)[C@H](C)Cc1ccc(O)cc1 ZINC001183048713 912219699 /nfs/dbraw/zinc/21/96/99/912219699.db2.gz PEJHUGAWKALREO-QGZVFWFLSA-N 2 2 380.492 3.712 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc3ccccc3c2)[C@H](C)C1 ZINC000787301670 877327423 /nfs/dbraw/zinc/32/74/23/877327423.db2.gz CCSGXOQOINCAAH-GCJKJVERSA-N 2 2 383.536 3.505 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc3ccccc3c2)[C@H](C)C1 ZINC000787301670 877327430 /nfs/dbraw/zinc/32/74/30/877327430.db2.gz CCSGXOQOINCAAH-GCJKJVERSA-N 2 2 383.536 3.505 20 0 GHADLP c1nn([C@@H]2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)c2ccccc12 ZINC000551701415 877669649 /nfs/dbraw/zinc/66/96/49/877669649.db2.gz AIQSJHSIZGUSDD-DHIUTWEWSA-N 2 2 390.531 3.574 20 0 GHADLP c1nn([C@@H]2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)c2ccccc12 ZINC000551701415 877669651 /nfs/dbraw/zinc/66/96/51/877669651.db2.gz AIQSJHSIZGUSDD-DHIUTWEWSA-N 2 2 390.531 3.574 20 0 GHADLP c1nn([C@@H]2CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)c2ccccc12 ZINC000551701415 877669654 /nfs/dbraw/zinc/66/96/54/877669654.db2.gz AIQSJHSIZGUSDD-DHIUTWEWSA-N 2 2 390.531 3.574 20 0 GHADLP c1nn([C@@H]2CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)c2ccccc12 ZINC000551701415 877669658 /nfs/dbraw/zinc/66/96/58/877669658.db2.gz AIQSJHSIZGUSDD-DHIUTWEWSA-N 2 2 390.531 3.574 20 0 GHADLP CC[C@H](C)[C@H](C)N(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000175588284 877782959 /nfs/dbraw/zinc/78/29/59/877782959.db2.gz DZKHRMTVTHRJDA-OALUTQOASA-N 2 2 378.605 3.545 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC[C@H]21 ZINC000245528459 878051210 /nfs/dbraw/zinc/05/12/10/878051210.db2.gz BKXIPYBCMDCXMT-FSPWUOQZSA-N 2 2 382.335 3.515 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC[C@H]21 ZINC000245528459 878051220 /nfs/dbraw/zinc/05/12/20/878051220.db2.gz BKXIPYBCMDCXMT-FSPWUOQZSA-N 2 2 382.335 3.515 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC[C@H]21 ZINC000245528459 878051237 /nfs/dbraw/zinc/05/12/37/878051237.db2.gz BKXIPYBCMDCXMT-FSPWUOQZSA-N 2 2 382.335 3.515 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC[C@H]21 ZINC000245528459 878051257 /nfs/dbraw/zinc/05/12/57/878051257.db2.gz BKXIPYBCMDCXMT-FSPWUOQZSA-N 2 2 382.335 3.515 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000746755580 878224644 /nfs/dbraw/zinc/22/46/44/878224644.db2.gz GFSAUHKXAZTWCI-FQEVSTJZSA-N 2 2 397.910 3.628 20 0 GHADLP C[NH+](C)CCCCCCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788909380 878445889 /nfs/dbraw/zinc/44/58/89/878445889.db2.gz ORDCDMWLHCOGPD-UHFFFAOYSA-N 2 2 389.588 3.621 20 0 GHADLP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1nc2c(s1)CCCC2 ZINC000537882498 878452768 /nfs/dbraw/zinc/45/27/68/878452768.db2.gz HVEUNCKIUOCEAJ-RDJZCZTQSA-N 2 2 390.622 3.723 20 0 GHADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000177592364 878768957 /nfs/dbraw/zinc/76/89/57/878768957.db2.gz PBFOGXCPDMDPMB-LJQANCHMSA-N 2 2 397.910 3.624 20 0 GHADLP CC[NH+]1CCN(C(=O)CC2CCN(c3cc(C)c4ccc(C)cc4[nH+]3)CC2)CC1 ZINC000460931584 878851097 /nfs/dbraw/zinc/85/10/97/878851097.db2.gz KXIDWKQQBOOUJC-UHFFFAOYSA-N 2 2 394.563 3.622 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(SC(F)F)cc1 ZINC000285738075 912412803 /nfs/dbraw/zinc/41/28/03/912412803.db2.gz REHWWWWDSXPIBS-HZTRTUMWSA-N 2 2 397.535 3.736 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(SC(F)F)cc1 ZINC000285738075 912412814 /nfs/dbraw/zinc/41/28/14/912412814.db2.gz REHWWWWDSXPIBS-HZTRTUMWSA-N 2 2 397.535 3.736 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(SC(F)F)cc1 ZINC000285738082 912412973 /nfs/dbraw/zinc/41/29/73/912412973.db2.gz REHWWWWDSXPIBS-LNRIEFBSSA-N 2 2 397.535 3.736 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(SC(F)F)cc1 ZINC000285738082 912412979 /nfs/dbraw/zinc/41/29/79/912412979.db2.gz REHWWWWDSXPIBS-LNRIEFBSSA-N 2 2 397.535 3.736 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccnn1-c1ccccc1 ZINC000467313801 879289377 /nfs/dbraw/zinc/28/93/77/879289377.db2.gz QULDSHUYXMCXMZ-NRFANRHFSA-N 2 2 389.547 3.735 20 0 GHADLP CCc1ncsc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538354727 879340830 /nfs/dbraw/zinc/34/08/30/879340830.db2.gz WCCNMKWEXCRFME-MSOLQXFVSA-N 2 2 393.601 3.506 20 0 GHADLP CCc1ncsc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538354727 879340847 /nfs/dbraw/zinc/34/08/47/879340847.db2.gz WCCNMKWEXCRFME-MSOLQXFVSA-N 2 2 393.601 3.506 20 0 GHADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000246566513 879690308 /nfs/dbraw/zinc/69/03/08/879690308.db2.gz LURREUODQYAUBY-IOMROCGXSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000246566513 879690315 /nfs/dbraw/zinc/69/03/15/879690315.db2.gz LURREUODQYAUBY-IOMROCGXSA-N 2 2 378.605 3.544 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CCN(c4ccc(F)cc4)C3)CC2)cc1 ZINC000152798434 879730791 /nfs/dbraw/zinc/73/07/91/879730791.db2.gz DFOBAQYDAQGEDN-LJQANCHMSA-N 2 2 396.554 3.977 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Br)cs1 ZINC000493961523 879777762 /nfs/dbraw/zinc/77/77/62/879777762.db2.gz QERYLRKERPEMIO-KDOFPFPSSA-N 2 2 395.366 3.798 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(Br)cs1 ZINC000493961523 879777772 /nfs/dbraw/zinc/77/77/72/879777772.db2.gz QERYLRKERPEMIO-KDOFPFPSSA-N 2 2 395.366 3.798 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC001170139629 879815702 /nfs/dbraw/zinc/81/57/02/879815702.db2.gz LQVOCMTVRLTFLX-NRFANRHFSA-N 2 2 382.508 3.768 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC001170139629 879815715 /nfs/dbraw/zinc/81/57/15/879815715.db2.gz LQVOCMTVRLTFLX-NRFANRHFSA-N 2 2 382.508 3.768 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000531441458 879860977 /nfs/dbraw/zinc/86/09/77/879860977.db2.gz JEFBVRXFOXOYLN-SFHVURJKSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000531441458 879860995 /nfs/dbraw/zinc/86/09/95/879860995.db2.gz JEFBVRXFOXOYLN-SFHVURJKSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000531441458 879861012 /nfs/dbraw/zinc/86/10/12/879861012.db2.gz JEFBVRXFOXOYLN-SFHVURJKSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000531441458 879861017 /nfs/dbraw/zinc/86/10/17/879861017.db2.gz JEFBVRXFOXOYLN-SFHVURJKSA-N 2 2 395.551 3.873 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2ccc(F)cc2)cc1 ZINC000494067094 879872094 /nfs/dbraw/zinc/87/20/94/879872094.db2.gz VAKCCZXHMWXMMT-RBZQAINGSA-N 2 2 398.522 3.891 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000247084306 879912885 /nfs/dbraw/zinc/91/28/85/879912885.db2.gz PBVOUUOJJOSWHE-XMSQKQJNSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000247084306 879912898 /nfs/dbraw/zinc/91/28/98/879912898.db2.gz PBVOUUOJJOSWHE-XMSQKQJNSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000247137066 879928669 /nfs/dbraw/zinc/92/86/69/879928669.db2.gz SBCQKPCCAIGFNO-IFXJQAMLSA-N 2 2 392.316 3.983 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000247137066 879928680 /nfs/dbraw/zinc/92/86/80/879928680.db2.gz SBCQKPCCAIGFNO-IFXJQAMLSA-N 2 2 392.316 3.983 20 0 GHADLP C[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000247222460 879946103 /nfs/dbraw/zinc/94/61/03/879946103.db2.gz ZBWRIUGQEVUZOL-PMXSJFBMSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247222460 879946113 /nfs/dbraw/zinc/94/61/13/879946113.db2.gz ZBWRIUGQEVUZOL-PMXSJFBMSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247550684 880023401 /nfs/dbraw/zinc/02/34/01/880023401.db2.gz PXCNINNMMDYMBR-PZJWPPBQSA-N 2 2 397.538 3.799 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247550684 880023418 /nfs/dbraw/zinc/02/34/18/880023418.db2.gz PXCNINNMMDYMBR-PZJWPPBQSA-N 2 2 397.538 3.799 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247550684 880023434 /nfs/dbraw/zinc/02/34/34/880023434.db2.gz PXCNINNMMDYMBR-PZJWPPBQSA-N 2 2 397.538 3.799 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247550684 880023451 /nfs/dbraw/zinc/02/34/51/880023451.db2.gz PXCNINNMMDYMBR-PZJWPPBQSA-N 2 2 397.538 3.799 20 0 GHADLP C[NH+](C)CC[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C(C)(C)C ZINC000247656461 880040363 /nfs/dbraw/zinc/04/03/63/880040363.db2.gz XEMZGJSDSFXBCZ-HKBOAZHASA-N 2 2 397.567 3.777 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000183750726 880144868 /nfs/dbraw/zinc/14/48/68/880144868.db2.gz JBHQXGSOBLCDEO-AWEZNQCLSA-N 2 2 375.314 3.554 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NCC1(c2ccccc2)CCCCC1 ZINC000531644496 880245761 /nfs/dbraw/zinc/24/57/61/880245761.db2.gz BEUFTPOQPNKHBF-UHFFFAOYSA-N 2 2 380.536 3.607 20 0 GHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nc(C[NH+]3CCC[C@H](C)C3)cs2)[C@@H](C)C1 ZINC000531646660 880252061 /nfs/dbraw/zinc/25/20/61/880252061.db2.gz NYJNBAWQVQPHTR-BQFCYCMXSA-N 2 2 393.601 3.569 20 0 GHADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2nc(C[NH+]3CCC[C@H](C)C3)cs2)[C@@H](C)C1 ZINC000531646660 880252076 /nfs/dbraw/zinc/25/20/76/880252076.db2.gz NYJNBAWQVQPHTR-BQFCYCMXSA-N 2 2 393.601 3.569 20 0 GHADLP CC[NH+]1CC[C@H](N(C)C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)[C@@H](C)C1 ZINC000531646660 880252080 /nfs/dbraw/zinc/25/20/80/880252080.db2.gz NYJNBAWQVQPHTR-BQFCYCMXSA-N 2 2 393.601 3.569 20 0 GHADLP CC[NH+]1CC[C@H](N(C)C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)[C@@H](C)C1 ZINC000531646660 880252099 /nfs/dbraw/zinc/25/20/99/880252099.db2.gz NYJNBAWQVQPHTR-BQFCYCMXSA-N 2 2 393.601 3.569 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(SCC(F)(F)F)cc1 ZINC000453269420 880705960 /nfs/dbraw/zinc/70/59/60/880705960.db2.gz RGTMHLPVZOAMLT-GOEBONIOSA-N 2 2 376.488 3.838 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(SCC(F)(F)F)cc1 ZINC000453269420 880705966 /nfs/dbraw/zinc/70/59/66/880705966.db2.gz RGTMHLPVZOAMLT-GOEBONIOSA-N 2 2 376.488 3.838 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(SCC(F)(F)F)cc1 ZINC000453269417 880706224 /nfs/dbraw/zinc/70/62/24/880706224.db2.gz RGTMHLPVZOAMLT-GDBMZVCRSA-N 2 2 376.488 3.838 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(SCC(F)(F)F)cc1 ZINC000453269417 880706228 /nfs/dbraw/zinc/70/62/28/880706228.db2.gz RGTMHLPVZOAMLT-GDBMZVCRSA-N 2 2 376.488 3.838 20 0 GHADLP Clc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000531951915 880810845 /nfs/dbraw/zinc/81/08/45/880810845.db2.gz HRSSCTMUFSUINQ-OAQYLSRUSA-N 2 2 386.923 3.828 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000186413258 880880558 /nfs/dbraw/zinc/88/05/58/880880558.db2.gz GBKWIGIQXLMKQM-JTSKRJEESA-N 2 2 380.511 3.755 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000186413258 880880572 /nfs/dbraw/zinc/88/05/72/880880572.db2.gz GBKWIGIQXLMKQM-JTSKRJEESA-N 2 2 380.511 3.755 20 0 GHADLP O=C(CC[NH2+]C1CCN(c2cccc[nH+]2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000556950848 881196004 /nfs/dbraw/zinc/19/60/04/881196004.db2.gz WEZNLTMSUVYUEU-UHFFFAOYSA-N 2 2 393.318 3.976 20 0 GHADLP C[C@H](Cc1ccccc1Cl)[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001170271337 881287158 /nfs/dbraw/zinc/28/71/58/881287158.db2.gz ASEAIOCHDJMFMT-QGZVFWFLSA-N 2 2 391.987 3.536 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@@H](C)Cc3ccccc3Cl)CC2)C1 ZINC001170295894 881316767 /nfs/dbraw/zinc/31/67/67/881316767.db2.gz XDHRWQZVMJBXTN-WMZOPIPTSA-N 2 2 378.944 3.620 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)Cc3ccccc3Cl)CC2)C1 ZINC001170295894 881316788 /nfs/dbraw/zinc/31/67/88/881316788.db2.gz XDHRWQZVMJBXTN-WMZOPIPTSA-N 2 2 378.944 3.620 20 0 GHADLP OCC[N@H+](Cc1cc(Br)cs1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000494252965 881329655 /nfs/dbraw/zinc/32/96/55/881329655.db2.gz CTOZRCVVGRYXNV-UHFFFAOYSA-N 2 2 392.322 3.691 20 0 GHADLP OCC[N@@H+](Cc1cc(Br)cs1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000494252965 881329689 /nfs/dbraw/zinc/32/96/89/881329689.db2.gz CTOZRCVVGRYXNV-UHFFFAOYSA-N 2 2 392.322 3.691 20 0 GHADLP COCCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)s1 ZINC000181594355 883165237 /nfs/dbraw/zinc/16/52/37/883165237.db2.gz UCKHFUURVURQSZ-RDJZCZTQSA-N 2 2 388.581 3.912 20 0 GHADLP Cn1cc([C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c2cccc(F)c2)cn1 ZINC000195132314 883189744 /nfs/dbraw/zinc/18/97/44/883189744.db2.gz XKVRIZISMMRUJA-XXBNENTESA-N 2 2 378.495 3.760 20 0 GHADLP Cn1cc([C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2cccc(F)c2)cn1 ZINC000195132314 883189750 /nfs/dbraw/zinc/18/97/50/883189750.db2.gz XKVRIZISMMRUJA-XXBNENTESA-N 2 2 378.495 3.760 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(SC)cc1OC ZINC000184733214 883363468 /nfs/dbraw/zinc/36/34/68/883363468.db2.gz PTCJUEYGGVVAKI-OAHLLOKOSA-N 2 2 375.538 3.614 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(SC)cc1OC ZINC000184733214 883363481 /nfs/dbraw/zinc/36/34/81/883363481.db2.gz PTCJUEYGGVVAKI-OAHLLOKOSA-N 2 2 375.538 3.614 20 0 GHADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1OC(F)F ZINC000195652410 883540980 /nfs/dbraw/zinc/54/09/80/883540980.db2.gz UAAFOUIWNKJKGQ-UYAOXDASSA-N 2 2 390.474 3.748 20 0 GHADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1OC(F)F ZINC000195652410 883540988 /nfs/dbraw/zinc/54/09/88/883540988.db2.gz UAAFOUIWNKJKGQ-UYAOXDASSA-N 2 2 390.474 3.748 20 0 GHADLP COC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(Cl)cc1 ZINC000193984532 883614150 /nfs/dbraw/zinc/61/41/50/883614150.db2.gz KOQNESJRQVNEPO-JOCHJYFZSA-N 2 2 387.955 3.565 20 0 GHADLP CC[N@H+](Cc1cc(Cl)n(C)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000859194482 883650626 /nfs/dbraw/zinc/65/06/26/883650626.db2.gz GXJCODGBTKTECN-UHFFFAOYSA-N 2 2 390.963 3.786 20 0 GHADLP CC[N@@H+](Cc1cc(Cl)n(C)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000859194482 883650634 /nfs/dbraw/zinc/65/06/34/883650634.db2.gz GXJCODGBTKTECN-UHFFFAOYSA-N 2 2 390.963 3.786 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000476160881 884190161 /nfs/dbraw/zinc/19/01/61/884190161.db2.gz NKPJRNAUWMXYRU-UHFFFAOYSA-N 2 2 381.520 3.965 20 0 GHADLP Cc1cc(N2CC[NH+](C3CCOCC3)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000476187645 884235139 /nfs/dbraw/zinc/23/51/39/884235139.db2.gz GQKJPQNWFIXDQX-UHFFFAOYSA-N 2 2 395.425 3.743 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495004400 884341743 /nfs/dbraw/zinc/34/17/43/884341743.db2.gz LUBCFJFHEJKWQW-FVJLSDCUSA-N 2 2 380.536 3.734 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495004400 884341761 /nfs/dbraw/zinc/34/17/61/884341761.db2.gz LUBCFJFHEJKWQW-FVJLSDCUSA-N 2 2 380.536 3.734 20 0 GHADLP O[C@@H](COc1ccc(Oc2ccccc2)cc1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495009802 884370948 /nfs/dbraw/zinc/37/09/48/884370948.db2.gz VLVHKIHSSOYRQP-RTBURBONSA-N 2 2 393.487 3.821 20 0 GHADLP O[C@@H](COc1ccc(Oc2ccccc2)cc1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495009802 884370966 /nfs/dbraw/zinc/37/09/66/884370966.db2.gz VLVHKIHSSOYRQP-RTBURBONSA-N 2 2 393.487 3.821 20 0 GHADLP Cc1ccccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CCCC1 ZINC000495030306 884404517 /nfs/dbraw/zinc/40/45/17/884404517.db2.gz XYSRKDFVEODCTL-UKKFODGLSA-N 2 2 383.580 3.900 20 0 GHADLP Cc1ccccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CCCC1 ZINC000495030306 884404530 /nfs/dbraw/zinc/40/45/30/884404530.db2.gz XYSRKDFVEODCTL-UKKFODGLSA-N 2 2 383.580 3.900 20 0 GHADLP Cc1nc(C)c(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000237689341 884794285 /nfs/dbraw/zinc/79/42/85/884794285.db2.gz LGTYAMWSWBFPGY-UHFFFAOYSA-N 2 2 378.973 3.715 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498843567 885915417 /nfs/dbraw/zinc/91/54/17/885915417.db2.gz KGZPJWAAEHKSMQ-FPOVZHCZSA-N 2 2 389.559 3.617 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498843567 885915426 /nfs/dbraw/zinc/91/54/26/885915426.db2.gz KGZPJWAAEHKSMQ-FPOVZHCZSA-N 2 2 389.559 3.617 20 0 GHADLP C[NH+](C)CCC1CC[NH+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)CC1 ZINC000118868619 886293523 /nfs/dbraw/zinc/29/35/23/886293523.db2.gz VELIUZHHVVTGQP-UHFFFAOYSA-N 2 2 396.560 3.815 20 0 GHADLP CC(C)c1ccc2occ(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2c1 ZINC000287044495 913054668 /nfs/dbraw/zinc/05/46/68/913054668.db2.gz RMQBVGODTZWBAK-UHFFFAOYSA-N 2 2 383.536 3.845 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000119374167 886628412 /nfs/dbraw/zinc/62/84/12/886628412.db2.gz BCNPWAPNIBXBHW-SFTDATJTSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000119374167 886628420 /nfs/dbraw/zinc/62/84/20/886628420.db2.gz BCNPWAPNIBXBHW-SFTDATJTSA-N 2 2 390.547 3.935 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000119107596 886649060 /nfs/dbraw/zinc/64/90/60/886649060.db2.gz NQQDZLXQSFSJAB-PGRDOPGGSA-N 2 2 379.504 3.958 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000119107596 886649067 /nfs/dbraw/zinc/64/90/67/886649067.db2.gz NQQDZLXQSFSJAB-PGRDOPGGSA-N 2 2 379.504 3.958 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000119115796 886655175 /nfs/dbraw/zinc/65/51/75/886655175.db2.gz KNAKSWQLROLHTF-XMSQKQJNSA-N 2 2 379.504 3.958 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000119115796 886655193 /nfs/dbraw/zinc/65/51/93/886655193.db2.gz KNAKSWQLROLHTF-XMSQKQJNSA-N 2 2 379.504 3.958 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119514466 886699942 /nfs/dbraw/zinc/69/99/42/886699942.db2.gz DMNYZFMJMJXEFT-SIKLNZKXSA-N 2 2 388.515 3.757 20 0 GHADLP Cc1cc(F)ccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000119579500 886766139 /nfs/dbraw/zinc/76/61/39/886766139.db2.gz VYCOAPIDBOKSGW-RTWAWAEBSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cc(F)ccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000119579500 886766148 /nfs/dbraw/zinc/76/61/48/886766148.db2.gz VYCOAPIDBOKSGW-RTWAWAEBSA-N 2 2 390.547 3.935 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1cccs1 ZINC000129968418 887374823 /nfs/dbraw/zinc/37/48/23/887374823.db2.gz PAJKUSRMYGHADR-FXAWDEMLSA-N 2 2 380.517 3.747 20 0 GHADLP C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1cccs1 ZINC000129968418 887374835 /nfs/dbraw/zinc/37/48/35/887374835.db2.gz PAJKUSRMYGHADR-FXAWDEMLSA-N 2 2 380.517 3.747 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCC(=O)c3ccc(Br)cc3)CC[C@H]21 ZINC000322277507 887481972 /nfs/dbraw/zinc/48/19/72/887481972.db2.gz QJZRULIUAUVKSA-SJLPKXTDSA-N 2 2 379.342 3.828 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCC(=O)c3ccc(Br)cc3)CC[C@H]21 ZINC000322277507 887481981 /nfs/dbraw/zinc/48/19/81/887481981.db2.gz QJZRULIUAUVKSA-SJLPKXTDSA-N 2 2 379.342 3.828 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCC(=O)c3ccc(Br)cc3)CC[C@H]21 ZINC000322277507 887481986 /nfs/dbraw/zinc/48/19/86/887481986.db2.gz QJZRULIUAUVKSA-SJLPKXTDSA-N 2 2 379.342 3.828 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCC(=O)c3ccc(Br)cc3)CC[C@H]21 ZINC000322277507 887481992 /nfs/dbraw/zinc/48/19/92/887481992.db2.gz QJZRULIUAUVKSA-SJLPKXTDSA-N 2 2 379.342 3.828 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCC(=O)c3ccc(Br)cc3)CC[C@@H]21 ZINC000322277503 887482046 /nfs/dbraw/zinc/48/20/46/887482046.db2.gz QJZRULIUAUVKSA-AEFFLSMTSA-N 2 2 379.342 3.828 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCC(=O)c3ccc(Br)cc3)CC[C@@H]21 ZINC000322277503 887482050 /nfs/dbraw/zinc/48/20/50/887482050.db2.gz QJZRULIUAUVKSA-AEFFLSMTSA-N 2 2 379.342 3.828 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCC(=O)c3ccc(Br)cc3)CC[C@@H]21 ZINC000322277503 887482058 /nfs/dbraw/zinc/48/20/58/887482058.db2.gz QJZRULIUAUVKSA-AEFFLSMTSA-N 2 2 379.342 3.828 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCC(=O)c3ccc(Br)cc3)CC[C@@H]21 ZINC000322277503 887482067 /nfs/dbraw/zinc/48/20/67/887482067.db2.gz QJZRULIUAUVKSA-AEFFLSMTSA-N 2 2 379.342 3.828 20 0 GHADLP COc1cc(-c2nc(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)cs2)ccc1O ZINC000131237346 887522280 /nfs/dbraw/zinc/52/22/80/887522280.db2.gz LVBKNLMZNBQNJA-OAHLLOKOSA-N 2 2 398.532 3.713 20 0 GHADLP COc1cc(-c2nc(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)cs2)ccc1O ZINC000131237346 887522295 /nfs/dbraw/zinc/52/22/95/887522295.db2.gz LVBKNLMZNBQNJA-OAHLLOKOSA-N 2 2 398.532 3.713 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000131339462 887535973 /nfs/dbraw/zinc/53/59/73/887535973.db2.gz MPXYUNVYKRDMBD-UAOJZALGSA-N 2 2 394.346 3.922 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000131339462 887535980 /nfs/dbraw/zinc/53/59/80/887535980.db2.gz MPXYUNVYKRDMBD-UAOJZALGSA-N 2 2 394.346 3.922 20 0 GHADLP OC[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000532675546 887576495 /nfs/dbraw/zinc/57/64/95/887576495.db2.gz QVFUPPVLDOLSJA-SFHVURJKSA-N 2 2 389.421 3.832 20 0 GHADLP C[NH+](C)[C@@H](CNc1nc(Cl)nc2c1C[NH2+]C2)c1ccc(Cl)cc1Cl ZINC001170585885 887725300 /nfs/dbraw/zinc/72/53/00/887725300.db2.gz PDASYEBAEGCXMP-AWEZNQCLSA-N 2 2 386.714 3.755 20 0 GHADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2nc3ccc(Br)cc3s2)C1 ZINC000809767696 887755160 /nfs/dbraw/zinc/75/51/60/887755160.db2.gz RIMNKXZVRSPMGH-WFASDCNBSA-N 2 2 380.355 3.975 20 0 GHADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2nc3ccc(Br)cc3s2)C1 ZINC000809767696 887755171 /nfs/dbraw/zinc/75/51/71/887755171.db2.gz RIMNKXZVRSPMGH-WFASDCNBSA-N 2 2 380.355 3.975 20 0 GHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2nc3ccc(Br)cc3s2)C1 ZINC000809767696 887755180 /nfs/dbraw/zinc/75/51/80/887755180.db2.gz RIMNKXZVRSPMGH-WFASDCNBSA-N 2 2 380.355 3.975 20 0 GHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2nc3ccc(Br)cc3s2)C1 ZINC000809767696 887755192 /nfs/dbraw/zinc/75/51/92/887755192.db2.gz RIMNKXZVRSPMGH-WFASDCNBSA-N 2 2 380.355 3.975 20 0 GHADLP O=C(C[NH2+][C@@H](c1ccccc1)C1CCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000532688531 887801498 /nfs/dbraw/zinc/80/14/98/887801498.db2.gz OACVTFHNXKMNHZ-QFIPXVFZSA-N 2 2 383.561 3.523 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1nc2ccccc2s1 ZINC000865465016 888367544 /nfs/dbraw/zinc/36/75/44/888367544.db2.gz RZGIEUKTQVKLSQ-QGZVFWFLSA-N 2 2 397.544 3.858 20 0 GHADLP CCOc1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1OCc1ccccc1 ZINC000729684171 888525649 /nfs/dbraw/zinc/52/56/49/888525649.db2.gz KNPPTNFCJZQAAL-FCHUYYIVSA-N 2 2 396.531 3.617 20 0 GHADLP CCOc1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1OCc1ccccc1 ZINC000729684171 888525656 /nfs/dbraw/zinc/52/56/56/888525656.db2.gz KNPPTNFCJZQAAL-FCHUYYIVSA-N 2 2 396.531 3.617 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1)c1ccc(Cl)cc1 ZINC000729683869 888526940 /nfs/dbraw/zinc/52/69/40/888526940.db2.gz DREZWKXEWGEYRV-RTWAWAEBSA-N 2 2 399.922 3.545 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1)c1ccc(Cl)cc1 ZINC000729683869 888526952 /nfs/dbraw/zinc/52/69/52/888526952.db2.gz DREZWKXEWGEYRV-RTWAWAEBSA-N 2 2 399.922 3.545 20 0 GHADLP O[C@H]1CCC[C@@]1(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(F)cc1 ZINC000428569873 888742519 /nfs/dbraw/zinc/74/25/19/888742519.db2.gz HDGGGYJXEGLNTF-GOTSBHOMSA-N 2 2 379.479 3.875 20 0 GHADLP CC(C)C[C@H](C[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)[NH+](C)C ZINC000532764075 888907023 /nfs/dbraw/zinc/90/70/23/888907023.db2.gz ZQBSHOSUGSLQEX-GBESFXJTSA-N 2 2 385.552 3.550 20 0 GHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](Cc1ccccn1)c1cccnc1)C2 ZINC000532802822 888977557 /nfs/dbraw/zinc/97/75/57/888977557.db2.gz WXSCPRVEFPBVEV-PMACEKPBSA-N 2 2 375.520 3.859 20 0 GHADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000124661708 889713997 /nfs/dbraw/zinc/71/39/97/889713997.db2.gz KSCCORIRKUDBNU-LJQANCHMSA-N 2 2 380.536 3.508 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000124716570 889734943 /nfs/dbraw/zinc/73/49/43/889734943.db2.gz PJQLEMUXMCNJJX-BULFRSBZSA-N 2 2 389.559 3.725 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000124716570 889734953 /nfs/dbraw/zinc/73/49/53/889734953.db2.gz PJQLEMUXMCNJJX-BULFRSBZSA-N 2 2 389.559 3.725 20 0 GHADLP CN(C(=O)c1ccc(Cl)cc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124808331 889770489 /nfs/dbraw/zinc/77/04/89/889770489.db2.gz AJPWUOCZABEYKS-PMACEKPBSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1ccc(Cl)cc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124808331 889770500 /nfs/dbraw/zinc/77/05/00/889770500.db2.gz AJPWUOCZABEYKS-PMACEKPBSA-N 2 2 395.950 3.888 20 0 GHADLP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000533248141 890084943 /nfs/dbraw/zinc/08/49/43/890084943.db2.gz JGRNASDKAUTCRM-UHFFFAOYSA-N 2 2 393.531 3.520 20 0 GHADLP O=C(CC[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)Nc1ccccc1F ZINC000644636213 913417055 /nfs/dbraw/zinc/41/70/55/913417055.db2.gz OCZZCRHSLUNZKE-UHFFFAOYSA-N 2 2 387.421 3.549 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2sc3nc(C)nc(C)c3c2C)cn1 ZINC000916838655 890277895 /nfs/dbraw/zinc/27/78/95/890277895.db2.gz OINBDINVEXKEPU-UHFFFAOYSA-N 2 2 378.505 3.795 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CCN(c4ccccc4F)C3)CC2)cc1 ZINC000812735390 890916246 /nfs/dbraw/zinc/91/62/46/890916246.db2.gz CSBSGSIZVJTYJB-LJQANCHMSA-N 2 2 396.554 3.977 20 0 GHADLP CC(C)[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1nc(C2CC2)no1 ZINC000812832865 891017566 /nfs/dbraw/zinc/01/75/66/891017566.db2.gz JXWGFDFTBGCIKF-FQEVSTJZSA-N 2 2 383.540 3.969 20 0 GHADLP CCc1ccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533649409 891042420 /nfs/dbraw/zinc/04/24/20/891042420.db2.gz UBMCFWXRTWWTPS-GOTSBHOMSA-N 2 2 385.596 3.587 20 0 GHADLP CCc1ccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533649409 891042425 /nfs/dbraw/zinc/04/24/25/891042425.db2.gz UBMCFWXRTWWTPS-GOTSBHOMSA-N 2 2 385.596 3.587 20 0 GHADLP CC(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000067185563 891221137 /nfs/dbraw/zinc/22/11/37/891221137.db2.gz LJNPFZCBOSTGED-QHCPKHFHSA-N 2 2 389.547 3.655 20 0 GHADLP CC(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000067185563 891221152 /nfs/dbraw/zinc/22/11/52/891221152.db2.gz LJNPFZCBOSTGED-QHCPKHFHSA-N 2 2 389.547 3.655 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccc(-n2ccnn2)c1 ZINC000287792439 913538296 /nfs/dbraw/zinc/53/82/96/913538296.db2.gz SVNWFMROBDOLJR-MSOLQXFVSA-N 2 2 376.508 3.539 20 0 GHADLP Fc1cc(F)c2c(c1)CC[C@@H](N(c1cccc[nH+]1)[C@@H]1COC3(C1)CC[NH2+]CC3)C2 ZINC001170698173 891320699 /nfs/dbraw/zinc/32/06/99/891320699.db2.gz LRAVYHNTRNTLAM-MOPGFXCFSA-N 2 2 399.485 3.635 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1c1cccs1 ZINC000247559600 891386107 /nfs/dbraw/zinc/38/61/07/891386107.db2.gz ZLYHVXORDAUBGJ-PXNSSMCTSA-N 2 2 380.517 3.747 20 0 GHADLP C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1c1cccs1 ZINC000247559600 891386123 /nfs/dbraw/zinc/38/61/23/891386123.db2.gz ZLYHVXORDAUBGJ-PXNSSMCTSA-N 2 2 380.517 3.747 20 0 GHADLP FC(F)Oc1cccc([C@@H]2C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)c1 ZINC000873208336 891523213 /nfs/dbraw/zinc/52/32/13/891523213.db2.gz UBJJJERDNVARIV-KRWDZBQOSA-N 2 2 380.460 3.569 20 0 GHADLP FC(F)Oc1cccc([C@@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)c1 ZINC000873208336 891523218 /nfs/dbraw/zinc/52/32/18/891523218.db2.gz UBJJJERDNVARIV-KRWDZBQOSA-N 2 2 380.460 3.569 20 0 GHADLP Cn1ccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccc(Cl)cc2)n1 ZINC000497411396 891556950 /nfs/dbraw/zinc/55/69/50/891556950.db2.gz OZTQRFQJEBSKHE-NRFANRHFSA-N 2 2 381.911 3.817 20 0 GHADLP Cc1ccc(-c2ccc(C[NH+]3CCC(c4nnc5n4CC[NH2+]C5)CC3)s2)cc1 ZINC000261623249 892067448 /nfs/dbraw/zinc/06/74/48/892067448.db2.gz BRLPEIGCKOKVDW-UHFFFAOYSA-N 2 2 393.560 3.798 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508714122 892791868 /nfs/dbraw/zinc/79/18/68/892791868.db2.gz URPJXNBCPNWONB-PXDATVDWSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714122 892791878 /nfs/dbraw/zinc/79/18/78/892791878.db2.gz URPJXNBCPNWONB-PXDATVDWSA-N 3 2 393.575 3.519 20 0 GHADLP O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000876035329 892919713 /nfs/dbraw/zinc/91/97/13/892919713.db2.gz OKPQMTSHFSNVDL-UHFFFAOYSA-N 2 2 395.551 3.601 20 0 GHADLP O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000876035329 892919720 /nfs/dbraw/zinc/91/97/20/892919720.db2.gz OKPQMTSHFSNVDL-UHFFFAOYSA-N 2 2 395.551 3.601 20 0 GHADLP c1sc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)nc1-c1cc2ccccc2o1 ZINC000562959800 893219309 /nfs/dbraw/zinc/21/93/09/893219309.db2.gz ZQFWNYHULCUTML-BRWVUGGUSA-N 2 2 383.517 3.803 20 0 GHADLP CN1c2ccc(C[NH2+]C[C@@]3(C)CCC[N@@H+]3Cc3ccccc3)cc2CCC1=O ZINC000778200774 893241590 /nfs/dbraw/zinc/24/15/90/893241590.db2.gz AAXZLNLQICXVOL-XMMPIXPASA-N 2 2 377.532 3.740 20 0 GHADLP CN1c2ccc(C[NH2+]C[C@@]3(C)CCC[N@H+]3Cc3ccccc3)cc2CCC1=O ZINC000778200774 893241603 /nfs/dbraw/zinc/24/16/03/893241603.db2.gz AAXZLNLQICXVOL-XMMPIXPASA-N 2 2 377.532 3.740 20 0 GHADLP O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCCCC[NH2+]1 ZINC000563198068 893471312 /nfs/dbraw/zinc/47/13/12/893471312.db2.gz BZTWBLXYOUWWCJ-HSZRJFAPSA-N 2 2 388.515 3.747 20 0 GHADLP Clc1cccc(N2CC[NH+](C3CC[NH+](CCCc4ccncc4)CC3)CC2)c1 ZINC000459503584 893644068 /nfs/dbraw/zinc/64/40/68/893644068.db2.gz HVKZXMMVUWIYCL-UHFFFAOYSA-N 2 2 398.982 3.954 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000536856647 893946325 /nfs/dbraw/zinc/94/63/25/893946325.db2.gz HGDJLBGYMFTTJA-PXNSSMCTSA-N 2 2 393.560 3.643 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000536856647 893946334 /nfs/dbraw/zinc/94/63/34/893946334.db2.gz HGDJLBGYMFTTJA-PXNSSMCTSA-N 2 2 393.560 3.643 20 0 GHADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C(=O)OC)cc1 ZINC000563667399 894046411 /nfs/dbraw/zinc/04/64/11/894046411.db2.gz ROGBNIKOVFLTGU-QFIPXVFZSA-N 2 2 382.504 3.546 20 0 GHADLP CC[N@@H+](Cc1csc(-c2ccn(C)n2)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000878150001 894052760 /nfs/dbraw/zinc/05/27/60/894052760.db2.gz CJYGUHZVZVSOBI-UHFFFAOYSA-N 2 2 396.564 3.677 20 0 GHADLP CC[N@H+](Cc1csc(-c2ccn(C)n2)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000878150001 894052779 /nfs/dbraw/zinc/05/27/79/894052779.db2.gz CJYGUHZVZVSOBI-UHFFFAOYSA-N 2 2 396.564 3.677 20 0 GHADLP C[NH+](C)C1CCC(NC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1 ZINC000564323051 894864969 /nfs/dbraw/zinc/86/49/69/894864969.db2.gz UNECMMVZEAQLIN-UHFFFAOYSA-N 2 2 381.524 3.881 20 0 GHADLP C[C@@H](CC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC000565072881 895375956 /nfs/dbraw/zinc/37/59/56/895375956.db2.gz YLHXRCVCROPVQT-FQEVSTJZSA-N 2 2 382.552 3.685 20 0 GHADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000880132891 895532335 /nfs/dbraw/zinc/53/23/35/895532335.db2.gz GYSHXFCEYQWYEZ-NNMXDRDESA-N 2 2 383.561 3.512 20 0 GHADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000880132891 895532344 /nfs/dbraw/zinc/53/23/44/895532344.db2.gz GYSHXFCEYQWYEZ-NNMXDRDESA-N 2 2 383.561 3.512 20 0 GHADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000880132891 895532353 /nfs/dbraw/zinc/53/23/53/895532353.db2.gz GYSHXFCEYQWYEZ-NNMXDRDESA-N 2 2 383.561 3.512 20 0 GHADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000880132891 895532363 /nfs/dbraw/zinc/53/23/63/895532363.db2.gz GYSHXFCEYQWYEZ-NNMXDRDESA-N 2 2 383.561 3.512 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000565336855 895544621 /nfs/dbraw/zinc/54/46/21/895544621.db2.gz ZSDLKDSXOXCELK-UHFFFAOYSA-N 2 2 377.492 3.507 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000565336855 895544628 /nfs/dbraw/zinc/54/46/28/895544628.db2.gz ZSDLKDSXOXCELK-UHFFFAOYSA-N 2 2 377.492 3.507 20 0 GHADLP CCOc1ccccc1NC(=O)CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569102 895750964 /nfs/dbraw/zinc/75/09/64/895750964.db2.gz HTWIGOIKYQXVFX-FQEVSTJZSA-N 2 2 378.476 3.642 20 0 GHADLP c1cn(C[C@H]([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)c2ccccc2)c[nH+]1 ZINC000880570938 895752078 /nfs/dbraw/zinc/75/20/78/895752078.db2.gz ZYWGBXBCDOFVJG-GOTSBHOMSA-N 2 2 377.488 3.972 20 0 GHADLP O[C@@H](C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc2ccccc21 ZINC000819264162 896551189 /nfs/dbraw/zinc/55/11/89/896551189.db2.gz MYANRWJHKMWNCI-RDGATRHJSA-N 2 2 390.527 3.754 20 0 GHADLP O[C@@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc2ccccc21 ZINC000819264162 896551201 /nfs/dbraw/zinc/55/12/01/896551201.db2.gz MYANRWJHKMWNCI-RDGATRHJSA-N 2 2 390.527 3.754 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c(C)c1 ZINC000826284341 896919403 /nfs/dbraw/zinc/91/94/03/896919403.db2.gz QRTRGSWBUVZRCM-DYESRHJHSA-N 2 2 387.491 3.772 20 0 GHADLP COC1CCN(C(C)(C)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000567470605 897185103 /nfs/dbraw/zinc/18/51/03/897185103.db2.gz HWQVSUZFDCTKMT-NRFANRHFSA-N 2 2 385.596 3.663 20 0 GHADLP COC1CCN(C(C)(C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000567470605 897185110 /nfs/dbraw/zinc/18/51/10/897185110.db2.gz HWQVSUZFDCTKMT-NRFANRHFSA-N 2 2 385.596 3.663 20 0 GHADLP Cc1nc(-c2cc([C@H](C)[NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)cs2)cs1 ZINC000567674495 897330035 /nfs/dbraw/zinc/33/00/35/897330035.db2.gz NKGQRECZZNNVEV-NSHDSACASA-N 2 2 388.566 3.616 20 0 GHADLP CC[C@H]1CCCCN1C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000567994840 897526744 /nfs/dbraw/zinc/52/67/44/897526744.db2.gz WPZDZFNMZZLEMI-OALUTQOASA-N 2 2 377.598 3.601 20 0 GHADLP CC[C@H]1CCCCN1C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000567994840 897526755 /nfs/dbraw/zinc/52/67/55/897526755.db2.gz WPZDZFNMZZLEMI-OALUTQOASA-N 2 2 377.598 3.601 20 0 GHADLP CC[C@H]1CCCCN1C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000567994840 897526767 /nfs/dbraw/zinc/52/67/67/897526767.db2.gz WPZDZFNMZZLEMI-OALUTQOASA-N 2 2 377.598 3.601 20 0 GHADLP CC[C@H]1CCCCN1C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000567994840 897526779 /nfs/dbraw/zinc/52/67/79/897526779.db2.gz WPZDZFNMZZLEMI-OALUTQOASA-N 2 2 377.598 3.601 20 0 GHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000883386743 897549876 /nfs/dbraw/zinc/54/98/76/897549876.db2.gz MDOVRUBDRAFUJH-LAUBAEHRSA-N 2 2 376.460 3.932 20 0 GHADLP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883386981 897550648 /nfs/dbraw/zinc/55/06/48/897550648.db2.gz PQTMFKSXONUMTE-UWJYYQICSA-N 2 2 378.476 3.640 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cccc(-n2cnnc2)c1 ZINC000820829797 897570767 /nfs/dbraw/zinc/57/07/67/897570767.db2.gz MMOXSXJQYZGUAL-QZTJIDSGSA-N 2 2 376.508 3.539 20 0 GHADLP C[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000568409608 897816338 /nfs/dbraw/zinc/81/63/38/897816338.db2.gz MXFVOYDQGUDUGC-VQIMIIECSA-N 2 2 397.485 3.546 20 0 GHADLP C[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000568409608 897816345 /nfs/dbraw/zinc/81/63/45/897816345.db2.gz MXFVOYDQGUDUGC-VQIMIIECSA-N 2 2 397.485 3.546 20 0 GHADLP CC(C)[NH2+]CCC[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000568748581 898080812 /nfs/dbraw/zinc/08/08/12/898080812.db2.gz GBJCTMCLCGFTEL-HXUWFJFHSA-N 2 2 394.968 3.811 20 0 GHADLP CC[N@H+](CC(=O)N1CCC(C[NH+](C)C(C)C)CC1)Cc1ccccc1Cl ZINC000569465174 898688692 /nfs/dbraw/zinc/68/86/92/898688692.db2.gz CREXMVDGPYZSRF-UHFFFAOYSA-N 2 2 379.976 3.741 20 0 GHADLP CC[N@@H+](CC(=O)N1CCC(C[NH+](C)C(C)C)CC1)Cc1ccccc1Cl ZINC000569465174 898688701 /nfs/dbraw/zinc/68/87/01/898688701.db2.gz CREXMVDGPYZSRF-UHFFFAOYSA-N 2 2 379.976 3.741 20 0 GHADLP CC[NH+](CC(=O)N1CCC(C[N@H+](C)C(C)C)CC1)Cc1ccccc1Cl ZINC000569465174 898688708 /nfs/dbraw/zinc/68/87/08/898688708.db2.gz CREXMVDGPYZSRF-UHFFFAOYSA-N 2 2 379.976 3.741 20 0 GHADLP CC[NH+](CC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)Cc1ccccc1Cl ZINC000569465174 898688714 /nfs/dbraw/zinc/68/87/14/898688714.db2.gz CREXMVDGPYZSRF-UHFFFAOYSA-N 2 2 379.976 3.741 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1c1ccccc1 ZINC000824414391 899612238 /nfs/dbraw/zinc/61/22/38/899612238.db2.gz ACMKNEAQRFNWPZ-BBTUJRGHSA-N 2 2 396.535 3.997 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccnc(C(F)(F)F)c3)CC2)cc1 ZINC000824660509 899738083 /nfs/dbraw/zinc/73/80/83/899738083.db2.gz CZWLFNGWHUQNJY-UHFFFAOYSA-N 2 2 378.442 3.925 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)COc2ccccc2C(C)C)CC1 ZINC000571451048 899872988 /nfs/dbraw/zinc/87/29/88/899872988.db2.gz IXFVJXFSFXGWCQ-LJQANCHMSA-N 2 2 384.520 3.797 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(F)cc1 ZINC000333014992 899893592 /nfs/dbraw/zinc/89/35/92/899893592.db2.gz GREHZLONQOXYNE-IRXDYDNUSA-N 2 2 398.526 3.804 20 0 GHADLP CCCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825268769 900063201 /nfs/dbraw/zinc/06/32/01/900063201.db2.gz XSKYWPGVTSYCOF-RXVVDRJESA-N 2 2 382.556 3.780 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(OC)ccc2Br)[C@@H](C)C1 ZINC000573022729 900345545 /nfs/dbraw/zinc/34/55/45/900345545.db2.gz UNQOKKUSAPJVKU-KXBFYZLASA-N 2 2 399.373 3.684 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(OC)ccc2Br)[C@@H](C)C1 ZINC000573022729 900345553 /nfs/dbraw/zinc/34/55/53/900345553.db2.gz UNQOKKUSAPJVKU-KXBFYZLASA-N 2 2 399.373 3.684 20 0 GHADLP COc1cc(C)cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1OC ZINC000886025922 900680585 /nfs/dbraw/zinc/68/05/85/900680585.db2.gz MNDQSXLAGJMGJH-UHFFFAOYSA-N 2 2 384.524 3.550 20 0 GHADLP C[NH+](C)CCOc1cccc(Nc2ccc3[nH+]cc(Br)n3c2)c1 ZINC001212804883 900754919 /nfs/dbraw/zinc/75/49/19/900754919.db2.gz GMNIKBUGFDKNFV-UHFFFAOYSA-N 2 2 375.270 3.781 20 0 GHADLP O=C1C=C(c2ccc(Cl)cc2)CN1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000844700469 901214642 /nfs/dbraw/zinc/21/46/42/901214642.db2.gz KSSNGWCGNNQXSO-UHFFFAOYSA-N 2 2 398.938 3.912 20 0 GHADLP c1ccc([C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C2CC2)cc1 ZINC000826520827 901385950 /nfs/dbraw/zinc/38/59/50/901385950.db2.gz SIGOWRPWQITOFD-JOCHJYFZSA-N 2 2 388.519 3.572 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090523754 901433319 /nfs/dbraw/zinc/43/33/19/901433319.db2.gz ZKSOOGGARFKFBE-VSDWSMLSSA-N 3 2 382.552 3.599 20 0 GHADLP Cc1cc2ncc([C@@H](C)[NH2+]C3CC[NH+]([C@H](C)c4ccncc4)CC3)c(C)n2n1 ZINC000090668026 901440519 /nfs/dbraw/zinc/44/05/19/901440519.db2.gz DLZLQHNAZKWCRV-IAGOWNOFSA-N 2 2 378.524 3.617 20 0 GHADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)cn2)cn1 ZINC000140126948 901469563 /nfs/dbraw/zinc/46/95/63/901469563.db2.gz ASMLYEOMVTVKBO-GOTSBHOMSA-N 2 2 387.531 3.754 20 0 GHADLP c1cn(-c2ccc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)cn2)cn1 ZINC000140126948 901469570 /nfs/dbraw/zinc/46/95/70/901469570.db2.gz ASMLYEOMVTVKBO-GOTSBHOMSA-N 2 2 387.531 3.754 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)cn2)cn1 ZINC000140126948 901469574 /nfs/dbraw/zinc/46/95/74/901469574.db2.gz ASMLYEOMVTVKBO-GOTSBHOMSA-N 2 2 387.531 3.754 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)cn2)cn1 ZINC000140126948 901469577 /nfs/dbraw/zinc/46/95/77/901469577.db2.gz ASMLYEOMVTVKBO-GOTSBHOMSA-N 2 2 387.531 3.754 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccccc3OC(C)(C)C)CC2)CC1 ZINC000122050153 901720408 /nfs/dbraw/zinc/72/04/08/901720408.db2.gz LMYRLOARCYNBTL-UHFFFAOYSA-N 2 2 388.556 3.544 20 0 GHADLP COc1ccc(C[C@](C)(O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000576152626 901732354 /nfs/dbraw/zinc/73/23/54/901732354.db2.gz QMQJCKMHSIJMRW-SBUREZEXSA-N 2 2 395.503 3.534 20 0 GHADLP CN(C(=O)c1cccc2ncccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124619235 902093250 /nfs/dbraw/zinc/09/32/50/902093250.db2.gz JWOGSARHRVCUEY-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cccc2ncccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124619235 902093255 /nfs/dbraw/zinc/09/32/55/902093255.db2.gz JWOGSARHRVCUEY-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000600929980 903123118 /nfs/dbraw/zinc/12/31/18/903123118.db2.gz JSYHQRWVDJCVFI-OAQYLSRUSA-N 2 2 385.939 3.677 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000600929980 903123123 /nfs/dbraw/zinc/12/31/23/903123123.db2.gz JSYHQRWVDJCVFI-OAQYLSRUSA-N 2 2 385.939 3.677 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(Cl)c(F)c1 ZINC000846814133 903234628 /nfs/dbraw/zinc/23/46/28/903234628.db2.gz NZJMXNQUNGYGLU-UHFFFAOYSA-N 3 2 382.955 3.502 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(Cl)c(F)c1 ZINC000846814133 903234641 /nfs/dbraw/zinc/23/46/41/903234641.db2.gz NZJMXNQUNGYGLU-UHFFFAOYSA-N 3 2 382.955 3.502 20 0 GHADLP C[C@@H]1CC[C@](C)(/C=C/C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC001145063119 903424444 /nfs/dbraw/zinc/42/44/44/903424444.db2.gz DZYDVHKIWZEUCY-ZFMVHGMOSA-N 2 2 375.601 3.632 20 0 GHADLP C[C@@H]1CC[C@](C)(/C=C/C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC001145063119 903424448 /nfs/dbraw/zinc/42/44/48/903424448.db2.gz DZYDVHKIWZEUCY-ZFMVHGMOSA-N 2 2 375.601 3.632 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000265024959 903567387 /nfs/dbraw/zinc/56/73/87/903567387.db2.gz JOBCNQKZARVYCF-CTNGQTDRSA-N 2 2 380.536 3.658 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000265024959 903567400 /nfs/dbraw/zinc/56/74/00/903567400.db2.gz JOBCNQKZARVYCF-CTNGQTDRSA-N 2 2 380.536 3.658 20 0 GHADLP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1)CC1CC1 ZINC000578459514 903862066 /nfs/dbraw/zinc/86/20/66/903862066.db2.gz RTIUKDPKRZDQGM-UHFFFAOYSA-N 2 2 379.495 3.737 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1)CC1CC1 ZINC000578459514 903862073 /nfs/dbraw/zinc/86/20/73/903862073.db2.gz RTIUKDPKRZDQGM-UHFFFAOYSA-N 2 2 379.495 3.737 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000779070677 903873121 /nfs/dbraw/zinc/87/31/21/903873121.db2.gz CUEQHIRPGNKQJH-OALUTQOASA-N 2 2 384.524 3.693 20 0 GHADLP COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(Br)c1OC ZINC000265465114 903907824 /nfs/dbraw/zinc/90/78/24/903907824.db2.gz GXUZAFANYFZMKN-UHFFFAOYSA-N 2 2 380.286 3.569 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151691902 904180945 /nfs/dbraw/zinc/18/09/45/904180945.db2.gz AHZMNZQPCXYNDQ-HUUCEWRRSA-N 2 2 387.480 3.827 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@@H]2CCc3c(F)cccc3C2)cs1 ZINC001171403628 904511165 /nfs/dbraw/zinc/51/11/65/904511165.db2.gz ZHKSVGSSMWYAPA-OAHLLOKOSA-N 2 2 379.570 3.724 20 0 GHADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000579341701 904530297 /nfs/dbraw/zinc/53/02/97/904530297.db2.gz LTMKZMDVTONPTQ-UTKZUKDTSA-N 2 2 387.955 3.988 20 0 GHADLP Fc1c[nH+]ccc1N(C1CC[NH2+]CC1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171546028 904776457 /nfs/dbraw/zinc/77/64/57/904776457.db2.gz GAOJUFUOLIFCNB-CQSZACIVSA-N 2 2 379.401 3.754 20 0 GHADLP COC(=O)c1cc(Br)ccc1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171624543 904887993 /nfs/dbraw/zinc/88/79/93/904887993.db2.gz VZUSLHBEIQNXBC-UHFFFAOYSA-N 2 2 397.357 3.977 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3cccc4c3OCCO4)cc2)C[C@H](C)O1 ZINC001171635882 904924040 /nfs/dbraw/zinc/92/40/40/904924040.db2.gz HYBZWNTVCXZNCG-KDURUIRLSA-N 2 2 396.531 3.699 20 0 GHADLP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890242921 904953850 /nfs/dbraw/zinc/95/38/50/904953850.db2.gz ZOQXYGAWUFFIRT-QFIPXVFZSA-N 2 2 397.567 3.634 20 0 GHADLP C[C@@H]1C[C@H](N2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC001171767734 905008072 /nfs/dbraw/zinc/00/80/72/905008072.db2.gz PGQBTQMTMFJMPN-GIVPXCGWSA-N 2 2 377.523 3.845 20 0 GHADLP C[C@@H]1C[C@H](N2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC001171767734 905008092 /nfs/dbraw/zinc/00/80/92/905008092.db2.gz PGQBTQMTMFJMPN-GIVPXCGWSA-N 2 2 377.523 3.845 20 0 GHADLP CC(C)(C)OC(=O)C1CCC([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001171917029 905146629 /nfs/dbraw/zinc/14/66/29/905146629.db2.gz KKBGSKFEQPJECC-UHFFFAOYSA-N 2 2 376.516 3.976 20 0 GHADLP CC1(C)C[C@H]([NH2+]Cc2ccnc(OC3CCC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC001171978990 905225556 /nfs/dbraw/zinc/22/55/56/905225556.db2.gz JVZIYXUYGMQEAV-LJQANCHMSA-N 2 2 380.536 3.941 20 0 GHADLP CC1(C)C[C@H]([NH2+]Cc2ccnc(OC3CCC3)n2)CC[N@H+]1Cc1ccccc1 ZINC001171978990 905225573 /nfs/dbraw/zinc/22/55/73/905225573.db2.gz JVZIYXUYGMQEAV-LJQANCHMSA-N 2 2 380.536 3.941 20 0 GHADLP COC(=O)c1ccc([C@H](CO)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171979774 905229701 /nfs/dbraw/zinc/22/97/01/905229701.db2.gz QQKLHEDKIQUBMC-YADHBBJMSA-N 2 2 396.531 3.539 20 0 GHADLP COC(=O)c1ccc([C@H](CO)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171979774 905229710 /nfs/dbraw/zinc/22/97/10/905229710.db2.gz QQKLHEDKIQUBMC-YADHBBJMSA-N 2 2 396.531 3.539 20 0 GHADLP Cc1cc(N2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)cc[nH+]1 ZINC001171986658 905244210 /nfs/dbraw/zinc/24/42/10/905244210.db2.gz KIGAXWKWUIYCLE-HSZRJFAPSA-N 3 2 378.564 3.955 20 0 GHADLP Cc1cc(N2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)cc[nH+]1 ZINC001171986658 905244226 /nfs/dbraw/zinc/24/42/26/905244226.db2.gz KIGAXWKWUIYCLE-HSZRJFAPSA-N 3 2 378.564 3.955 20 0 GHADLP Brc1ccc(N2CCC([NH2+]CC[NH+]3CCCCCC3)CC2)cc1 ZINC001171986761 905246190 /nfs/dbraw/zinc/24/61/90/905246190.db2.gz ZUQFVLOBSARDLB-UHFFFAOYSA-N 2 2 380.374 3.884 20 0 GHADLP COC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccn1 ZINC001172067167 905333723 /nfs/dbraw/zinc/33/37/23/905333723.db2.gz OOVCNOAUXJGEDK-CUDBPUKSSA-N 2 2 393.531 3.861 20 0 GHADLP COC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccn1 ZINC001172067167 905333741 /nfs/dbraw/zinc/33/37/41/905333741.db2.gz OOVCNOAUXJGEDK-CUDBPUKSSA-N 2 2 393.531 3.861 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1 ZINC001172068632 905337343 /nfs/dbraw/zinc/33/73/43/905337343.db2.gz VQVYLGYBIYQUCD-DKUWSORSSA-N 2 2 379.504 3.544 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1 ZINC001172068632 905337356 /nfs/dbraw/zinc/33/73/56/905337356.db2.gz VQVYLGYBIYQUCD-DKUWSORSSA-N 2 2 379.504 3.544 20 0 GHADLP Cc1cc(Br)ccc1N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172127156 905341939 /nfs/dbraw/zinc/34/19/39/905341939.db2.gz GZZZJXTWKUNIMN-BWTSREIZSA-N 2 2 392.385 3.895 20 0 GHADLP Cc1cc(Br)ccc1N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172127156 905341986 /nfs/dbraw/zinc/34/19/86/905341986.db2.gz GZZZJXTWKUNIMN-BWTSREIZSA-N 2 2 392.385 3.895 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(Cc3cccc(Br)c3)CC1)C2 ZINC001172120336 905380548 /nfs/dbraw/zinc/38/05/48/905380548.db2.gz DQPCAGRVDFGYEB-PMOLBWCYSA-N 2 2 392.385 3.582 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(Cc3cccc(Br)c3)CC1)C2 ZINC001172120336 905380583 /nfs/dbraw/zinc/38/05/83/905380583.db2.gz DQPCAGRVDFGYEB-PMOLBWCYSA-N 2 2 392.385 3.582 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172122473 905384371 /nfs/dbraw/zinc/38/43/71/905384371.db2.gz BOBDULVGMSFQJB-YRPNKDGESA-N 2 2 377.573 3.866 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172122473 905384387 /nfs/dbraw/zinc/38/43/87/905384387.db2.gz BOBDULVGMSFQJB-YRPNKDGESA-N 2 2 377.573 3.866 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+](C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172122473 905384401 /nfs/dbraw/zinc/38/44/01/905384401.db2.gz BOBDULVGMSFQJB-YRPNKDGESA-N 2 2 377.573 3.866 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172122473 905384418 /nfs/dbraw/zinc/38/44/18/905384418.db2.gz BOBDULVGMSFQJB-YRPNKDGESA-N 2 2 377.573 3.866 20 0 GHADLP c1ccc(N([C@H]2COC3(C2)CC[NH2+]CC3)[C@@H]2CSc3ccccc3C2)[nH+]c1 ZINC001172202166 905398848 /nfs/dbraw/zinc/39/88/48/905398848.db2.gz DBZKFOCYLFUYBK-RBUKOAKNSA-N 2 2 381.545 3.516 20 0 GHADLP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001172338359 905504274 /nfs/dbraw/zinc/50/42/74/905504274.db2.gz NYUAMHKXBKRDSY-SHJAMOMRSA-N 2 2 395.613 3.568 20 0 GHADLP CC[C@H](C)OCC[C@@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001172338359 905504283 /nfs/dbraw/zinc/50/42/83/905504283.db2.gz NYUAMHKXBKRDSY-SHJAMOMRSA-N 2 2 395.613 3.568 20 0 GHADLP CC[C@H](C)OCC[C@@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001172338359 905504295 /nfs/dbraw/zinc/50/42/95/905504295.db2.gz NYUAMHKXBKRDSY-SHJAMOMRSA-N 2 2 395.613 3.568 20 0 GHADLP CC[C@H](C)OCC[C@@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001172338359 905504310 /nfs/dbraw/zinc/50/43/10/905504310.db2.gz NYUAMHKXBKRDSY-SHJAMOMRSA-N 2 2 395.613 3.568 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172540947 905643340 /nfs/dbraw/zinc/64/33/40/905643340.db2.gz LSKKDNNEUCQPEZ-TZRRMPRUSA-N 2 2 386.580 3.774 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172540947 905643347 /nfs/dbraw/zinc/64/33/47/905643347.db2.gz LSKKDNNEUCQPEZ-TZRRMPRUSA-N 2 2 386.580 3.774 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172540947 905643356 /nfs/dbraw/zinc/64/33/56/905643356.db2.gz LSKKDNNEUCQPEZ-TZRRMPRUSA-N 2 2 386.580 3.774 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172540947 905643362 /nfs/dbraw/zinc/64/33/62/905643362.db2.gz LSKKDNNEUCQPEZ-TZRRMPRUSA-N 2 2 386.580 3.774 20 0 GHADLP [NH3+]CCCC[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)C(=O)OCc1ccccc1 ZINC001172709841 905793652 /nfs/dbraw/zinc/79/36/52/905793652.db2.gz GDGJFOQAUIMEHV-SFTDATJTSA-N 2 2 386.923 3.638 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4ccc(C)cc4C3)CC2)cc1 ZINC001172831776 905862072 /nfs/dbraw/zinc/86/20/72/905862072.db2.gz OUZBJHDIEQFGBZ-DEOSSOPVSA-N 2 2 392.543 3.893 20 0 GHADLP CC[NH+](CC)C1CCC([N@@H+]2CCn3c(COc4cccnc4)cnc3[C@H]2C)CC1 ZINC001173112106 906201161 /nfs/dbraw/zinc/20/11/61/906201161.db2.gz QKDCDBAZMTWUFG-XEVCZEQESA-N 2 2 397.567 3.887 20 0 GHADLP CC[NH+](CC)C1CCC([N@H+]2CCn3c(COc4cccnc4)cnc3[C@H]2C)CC1 ZINC001173112106 906201174 /nfs/dbraw/zinc/20/11/74/906201174.db2.gz QKDCDBAZMTWUFG-XEVCZEQESA-N 2 2 397.567 3.887 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000299136911 921219141 /nfs/dbraw/zinc/21/91/41/921219141.db2.gz GCYBWAVZVIVEAA-UHFFFAOYSA-N 2 2 392.547 3.600 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173345296 906386310 /nfs/dbraw/zinc/38/63/10/906386310.db2.gz DRALNXBWQAZOSB-GMAHTHKFSA-N 2 2 378.601 3.940 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173345296 906386323 /nfs/dbraw/zinc/38/63/23/906386323.db2.gz DRALNXBWQAZOSB-GMAHTHKFSA-N 2 2 378.601 3.940 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173345296 906386336 /nfs/dbraw/zinc/38/63/36/906386336.db2.gz DRALNXBWQAZOSB-GMAHTHKFSA-N 2 2 378.601 3.940 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+]([C@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173345296 906386352 /nfs/dbraw/zinc/38/63/52/906386352.db2.gz DRALNXBWQAZOSB-GMAHTHKFSA-N 2 2 378.601 3.940 20 0 GHADLP Cc1ccc2oc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2n1 ZINC000178876838 906397210 /nfs/dbraw/zinc/39/72/10/906397210.db2.gz NIMUTEGQAMYOBZ-PMACEKPBSA-N 2 2 398.551 3.545 20 0 GHADLP Cc1ccc2oc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2n1 ZINC000178876838 906397224 /nfs/dbraw/zinc/39/72/24/906397224.db2.gz NIMUTEGQAMYOBZ-PMACEKPBSA-N 2 2 398.551 3.545 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)C1 ZINC001173636345 906588901 /nfs/dbraw/zinc/58/89/01/906588901.db2.gz YPAFASABOIMHJR-DYESRHJHSA-N 2 2 376.516 3.810 20 0 GHADLP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H](c3ccccc3)c3ccccn3)cc2)CC1 ZINC000180177611 906707136 /nfs/dbraw/zinc/70/71/36/906707136.db2.gz SECWBPCGQXSISL-RUZDIDTESA-N 2 2 386.543 3.708 20 0 GHADLP C[NH+](C)[C@@H]1CCOc2c(Nc3ccc(OCC[NH+]4CCOCC4)cc3)cccc21 ZINC001174433689 907025767 /nfs/dbraw/zinc/02/57/67/907025767.db2.gz MYRVKNWYBTZGNR-JOCHJYFZSA-N 2 2 397.519 3.526 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2c(C)nn(C)c2Cl)CC1 ZINC000181632202 907044260 /nfs/dbraw/zinc/04/42/60/907044260.db2.gz DXCAGVULPWOWDK-AWEZNQCLSA-N 2 2 393.938 3.514 20 0 GHADLP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000182250396 907170112 /nfs/dbraw/zinc/17/01/12/907170112.db2.gz VHTMLKHWMJNASX-ILBGXUMGSA-N 2 2 387.527 3.918 20 0 GHADLP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000182250396 907170124 /nfs/dbraw/zinc/17/01/24/907170124.db2.gz VHTMLKHWMJNASX-ILBGXUMGSA-N 2 2 387.527 3.918 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000366068084 921300673 /nfs/dbraw/zinc/30/06/73/921300673.db2.gz LBZXEDLVBXCTGU-GOSISDBHSA-N 2 2 381.520 3.817 20 0 GHADLP COc1ccc(C(C)C)cc1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001175017099 907326527 /nfs/dbraw/zinc/32/65/27/907326527.db2.gz YLZAUFDVHWYZKI-XMMPIXPASA-N 2 2 382.548 3.887 20 0 GHADLP COc1ccc(C(C)C)cc1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001175017099 907326543 /nfs/dbraw/zinc/32/65/43/907326543.db2.gz YLZAUFDVHWYZKI-XMMPIXPASA-N 2 2 382.548 3.887 20 0 GHADLP COc1ccc(C(C)C)cc1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001175017099 907326558 /nfs/dbraw/zinc/32/65/58/907326558.db2.gz YLZAUFDVHWYZKI-XMMPIXPASA-N 2 2 382.548 3.887 20 0 GHADLP COc1ccc(C(C)C)cc1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001175017099 907326575 /nfs/dbraw/zinc/32/65/75/907326575.db2.gz YLZAUFDVHWYZKI-XMMPIXPASA-N 2 2 382.548 3.887 20 0 GHADLP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(OC)c1OC ZINC000631564309 907759577 /nfs/dbraw/zinc/75/95/77/907759577.db2.gz IZCLTUNSQFXCKW-NRFANRHFSA-N 2 2 384.520 3.777 20 0 GHADLP Brc1cccc2c1C[C@@H]1[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)[C@H]21 ZINC000631663278 907796373 /nfs/dbraw/zinc/79/63/73/907796373.db2.gz XIEBJNAOPBZTHX-DBVUQKKJSA-N 2 2 384.321 3.741 20 0 GHADLP Cc1[nH+]ccn1CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1 ZINC001176097043 907912673 /nfs/dbraw/zinc/91/26/73/907912673.db2.gz COPKGTUQKFEUFD-UHFFFAOYSA-N 2 2 392.931 3.872 20 0 GHADLP Cc1[nH+]ccn1CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1 ZINC001176097043 907912682 /nfs/dbraw/zinc/91/26/82/907912682.db2.gz COPKGTUQKFEUFD-UHFFFAOYSA-N 2 2 392.931 3.872 20 0 GHADLP COc1ccc(-c2ccncc2)cc1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000187278578 908066949 /nfs/dbraw/zinc/06/69/49/908066949.db2.gz CCBGCMZBBZVJGW-UHFFFAOYSA-N 2 2 383.536 3.736 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000187948271 908158633 /nfs/dbraw/zinc/15/86/33/908158633.db2.gz MNWRYHYDABQCJU-OAQYLSRUSA-N 2 2 382.483 3.759 20 0 GHADLP CN(C)[C@@H](C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1ccco1 ZINC001177117306 908396714 /nfs/dbraw/zinc/39/67/14/908396714.db2.gz PWKJKVKQLNTFJL-SFHVURJKSA-N 2 2 388.899 3.601 20 0 GHADLP Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cc12 ZINC001177225458 908472010 /nfs/dbraw/zinc/47/20/10/908472010.db2.gz BBQFZEICVQKYGV-AWEZNQCLSA-N 2 2 375.948 3.722 20 0 GHADLP Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cc12 ZINC001177225458 908472015 /nfs/dbraw/zinc/47/20/15/908472015.db2.gz BBQFZEICVQKYGV-AWEZNQCLSA-N 2 2 375.948 3.722 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@@H]1CCC[NH+]1Cc1ccco1 ZINC001177617903 908673042 /nfs/dbraw/zinc/67/30/42/908673042.db2.gz GQFFLVNBOXCHJD-VJBMBRPKSA-N 2 2 395.547 3.613 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@@H]1CCC[NH+]1Cc1ccco1 ZINC001177617903 908673047 /nfs/dbraw/zinc/67/30/47/908673047.db2.gz GQFFLVNBOXCHJD-VJBMBRPKSA-N 2 2 395.547 3.613 20 0 GHADLP C[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177617903 908673053 /nfs/dbraw/zinc/67/30/53/908673053.db2.gz GQFFLVNBOXCHJD-VJBMBRPKSA-N 2 2 395.547 3.613 20 0 GHADLP C[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177617903 908673061 /nfs/dbraw/zinc/67/30/61/908673061.db2.gz GQFFLVNBOXCHJD-VJBMBRPKSA-N 2 2 395.547 3.613 20 0 GHADLP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000191837660 908683172 /nfs/dbraw/zinc/68/31/72/908683172.db2.gz NJPDPNKQJOQMEP-MBSDFSHPSA-N 2 2 381.520 3.587 20 0 GHADLP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000191837660 908683177 /nfs/dbraw/zinc/68/31/77/908683177.db2.gz NJPDPNKQJOQMEP-MBSDFSHPSA-N 2 2 381.520 3.587 20 0 GHADLP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3cc(F)cc(C(F)(F)F)c3)c2)CC1 ZINC001177638377 908683852 /nfs/dbraw/zinc/68/38/52/908683852.db2.gz YAXKTOIJPMSLEF-UHFFFAOYSA-N 2 2 395.444 3.882 20 0 GHADLP COc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1OCc1cccnc1 ZINC000366265880 921436302 /nfs/dbraw/zinc/43/63/02/921436302.db2.gz GZYXKHRUQDSBMY-UHFFFAOYSA-N 2 2 381.520 3.776 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]CC[C@H](C)[N@H+](C)Cc3ccccc3)cc12 ZINC001177954169 908837412 /nfs/dbraw/zinc/83/74/12/908837412.db2.gz ANYOOHPAFXDEOB-HNNXBMFYSA-N 2 2 385.943 3.930 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]CC[C@H](C)[N@@H+](C)Cc3ccccc3)cc12 ZINC001177954169 908837427 /nfs/dbraw/zinc/83/74/27/908837427.db2.gz ANYOOHPAFXDEOB-HNNXBMFYSA-N 2 2 385.943 3.930 20 0 GHADLP OC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(Br)c1 ZINC001178176196 908925384 /nfs/dbraw/zinc/92/53/84/908925384.db2.gz HTSQZXLDHOAWPB-INIZCTEOSA-N 2 2 378.295 3.520 20 0 GHADLP COc1cc(OC)cc(N2CC[C@@H](C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)c1 ZINC001178170314 908947352 /nfs/dbraw/zinc/94/73/52/908947352.db2.gz LJWMPUJEUFMIIT-INIZCTEOSA-N 2 2 398.532 3.567 20 0 GHADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccccc2Oc2ccc(Cl)c(Cl)c2)C1 ZINC001178425851 909053523 /nfs/dbraw/zinc/05/35/23/909053523.db2.gz JTWDLVRSCWLTPS-LJQANCHMSA-N 2 2 381.303 3.942 20 0 GHADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccccc2Oc2ccc(Cl)c(Cl)c2)C1 ZINC001178425851 909053537 /nfs/dbraw/zinc/05/35/37/909053537.db2.gz JTWDLVRSCWLTPS-LJQANCHMSA-N 2 2 381.303 3.942 20 0 GHADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000635483407 909267482 /nfs/dbraw/zinc/26/74/82/909267482.db2.gz DDCXCSCKAYVJFX-ROUUACIJSA-N 2 2 394.441 3.720 20 0 GHADLP Clc1ccc(N2CCO[C@H](C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC001179159311 909405718 /nfs/dbraw/zinc/40/57/18/909405718.db2.gz MARILKPKDFKQGM-OAQYLSRUSA-N 2 2 382.895 3.521 20 0 GHADLP Cc1ccccc1NC(=O)Cc1nc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cs1 ZINC000267357425 909464034 /nfs/dbraw/zinc/46/40/34/909464034.db2.gz WAPNKQVDOUDWSM-UHFFFAOYSA-N 2 2 395.532 3.735 20 0 GHADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001179816025 909748857 /nfs/dbraw/zinc/74/88/57/909748857.db2.gz JYICSNIHAPUQKV-LSBZLQRGSA-N 2 2 393.362 3.976 20 0 GHADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001179816025 909748874 /nfs/dbraw/zinc/74/88/74/909748874.db2.gz JYICSNIHAPUQKV-LSBZLQRGSA-N 2 2 393.362 3.976 20 0 GHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2CC(F)(F)F)CC1 ZINC001179989098 909855294 /nfs/dbraw/zinc/85/52/94/909855294.db2.gz LFIZPOLWQKZARN-ROUUACIJSA-N 2 2 383.502 3.782 20 0 GHADLP Fc1ccc(N2CCC([NH2+]Cc3ccccc3Cn3cc[nH+]c3)CC2)c(F)c1 ZINC000268792658 910018747 /nfs/dbraw/zinc/01/87/47/910018747.db2.gz YTHBCQPBFWWCSE-UHFFFAOYSA-N 2 2 382.458 3.968 20 0 GHADLP CCCC[NH+]1CCC(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000270339941 910525275 /nfs/dbraw/zinc/52/52/75/910525275.db2.gz NMLXGOURCGWLNP-UHFFFAOYSA-N 2 2 393.535 3.988 20 0 GHADLP Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000270856073 910717667 /nfs/dbraw/zinc/71/76/67/910717667.db2.gz HMCRYUQZZYEQCT-IBGZPJMESA-N 2 2 397.567 3.596 20 0 GHADLP CC1([NH+]2CCCC2)CC[NH+](CCCC[NH+]2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000639982625 910765942 /nfs/dbraw/zinc/76/59/42/910765942.db2.gz RTPNEVBEWGRDFO-UHFFFAOYSA-N 4 2 390.660 3.667 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)cc1 ZINC001181945996 911096411 /nfs/dbraw/zinc/09/64/11/911096411.db2.gz QSTPSHVGSXMHRZ-UHFFFAOYSA-N 2 2 375.520 3.709 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000774006911 911228761 /nfs/dbraw/zinc/22/87/61/911228761.db2.gz IQTRBHQIOUXXCT-UYAOXDASSA-N 2 2 392.906 3.716 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000774006911 911228779 /nfs/dbraw/zinc/22/87/79/911228779.db2.gz IQTRBHQIOUXXCT-UYAOXDASSA-N 2 2 392.906 3.716 20 0 GHADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001182619488 911930436 /nfs/dbraw/zinc/93/04/36/911930436.db2.gz SFOPRFKDIFKPOD-SJORKVTESA-N 2 2 386.462 3.538 20 0 GHADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001182619488 911930480 /nfs/dbraw/zinc/93/04/80/911930480.db2.gz SFOPRFKDIFKPOD-SJORKVTESA-N 2 2 386.462 3.538 20 0 GHADLP CC(C)[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)cc1F ZINC000543772274 915089779 /nfs/dbraw/zinc/08/97/79/915089779.db2.gz APMRBEOAUQMDST-FQEVSTJZSA-N 2 2 383.939 3.709 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000648837149 915901096 /nfs/dbraw/zinc/90/10/96/915901096.db2.gz DEWAGFAHHGMJDC-QUCCMNQESA-N 2 2 379.508 3.768 20 0 GHADLP CSCc1cnc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000293539408 916255517 /nfs/dbraw/zinc/25/55/17/916255517.db2.gz KBZHBTIBYCHLPO-CQSZACIVSA-N 2 2 394.585 3.748 20 0 GHADLP c1coc([C@@H]2C[NH+](CCCCCC[N@@H+]3CCO[C@H](c4ccco4)C3)CCO2)c1 ZINC000121374755 917083984 /nfs/dbraw/zinc/08/39/84/917083984.db2.gz FAVVUBAOVOCNCS-VXKWHMMOSA-N 2 2 388.508 3.880 20 0 GHADLP c1coc([C@@H]2C[NH+](CCCCCC[N@H+]3CCO[C@H](c4ccco4)C3)CCO2)c1 ZINC000121374755 917083991 /nfs/dbraw/zinc/08/39/91/917083991.db2.gz FAVVUBAOVOCNCS-VXKWHMMOSA-N 2 2 388.508 3.880 20 0 GHADLP c1coc([C@H]2C[NH+](CCCCCC[N@@H+]3CCO[C@H](c4ccco4)C3)CCO2)c1 ZINC000121374907 917085288 /nfs/dbraw/zinc/08/52/88/917085288.db2.gz FAVVUBAOVOCNCS-SZPZYZBQSA-N 2 2 388.508 3.880 20 0 GHADLP c1coc([C@H]2C[NH+](CCCCCC[N@H+]3CCO[C@H](c4ccco4)C3)CCO2)c1 ZINC000121374907 917085303 /nfs/dbraw/zinc/08/53/03/917085303.db2.gz FAVVUBAOVOCNCS-SZPZYZBQSA-N 2 2 388.508 3.880 20 0 GHADLP c1coc([C@H]2C[N@H+](CCCCCC[NH+]3CCO[C@H](c4ccco4)C3)CCO2)c1 ZINC000121374907 917085314 /nfs/dbraw/zinc/08/53/14/917085314.db2.gz FAVVUBAOVOCNCS-SZPZYZBQSA-N 2 2 388.508 3.880 20 0 GHADLP c1coc([C@H]2C[N@@H+](CCCCCC[NH+]3CCO[C@H](c4ccco4)C3)CCO2)c1 ZINC000121374907 917085324 /nfs/dbraw/zinc/08/53/24/917085324.db2.gz FAVVUBAOVOCNCS-SZPZYZBQSA-N 2 2 388.508 3.880 20 0 GHADLP COc1cc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)cc(OC)c1OC ZINC000295582064 917366246 /nfs/dbraw/zinc/36/62/46/917366246.db2.gz BMDVCTHSXGGASK-UHFFFAOYSA-N 2 2 387.867 3.841 20 0 GHADLP Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)c(C)o1 ZINC001190509872 917372979 /nfs/dbraw/zinc/37/29/79/917372979.db2.gz HUNDGHBKEPDAKU-UHFFFAOYSA-N 2 2 395.547 3.840 20 0 GHADLP [NH3+][C@@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)c1c(F)cccc1F ZINC000653253403 918202119 /nfs/dbraw/zinc/20/21/19/918202119.db2.gz SOIFMLBPJHKCDM-LJQANCHMSA-N 2 2 391.487 3.791 20 0 GHADLP CN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297419714 919318398 /nfs/dbraw/zinc/31/83/98/919318398.db2.gz YXPLFNWWDDGOHE-PKTZIBPZSA-N 2 2 398.595 3.523 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000800486328 920170100 /nfs/dbraw/zinc/17/01/00/920170100.db2.gz FZMWSBDGVWKLDF-LEWJYISDSA-N 2 2 387.568 3.855 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000800486328 920170104 /nfs/dbraw/zinc/17/01/04/920170104.db2.gz FZMWSBDGVWKLDF-LEWJYISDSA-N 2 2 387.568 3.855 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccsc1 ZINC000298516215 920618352 /nfs/dbraw/zinc/61/83/52/920618352.db2.gz OFBQAUBXBZUEJD-FQEVSTJZSA-N 2 2 382.533 3.806 20 0 GHADLP Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)c1 ZINC000901231175 920929293 /nfs/dbraw/zinc/92/92/93/920929293.db2.gz VHTXVJYQACPQAO-UHFFFAOYSA-N 2 2 377.492 3.618 20 0 GHADLP c1nc(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)sc1C1OCCO1 ZINC000368018845 922428246 /nfs/dbraw/zinc/42/82/46/922428246.db2.gz QQJOGPNSISDDIG-OTWHNJEPSA-N 2 2 399.560 3.579 20 0 GHADLP c1nc(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)sc1C1OCCO1 ZINC000368018845 922428254 /nfs/dbraw/zinc/42/82/54/922428254.db2.gz QQJOGPNSISDDIG-OTWHNJEPSA-N 2 2 399.560 3.579 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903128312 922796246 /nfs/dbraw/zinc/79/62/46/922796246.db2.gz VYLDWYCEQDRMON-DLBZAZTESA-N 2 2 388.556 3.642 20 0 GHADLP CC[NH+](CC)CCOc1cccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000903458366 923038372 /nfs/dbraw/zinc/03/83/72/923038372.db2.gz XKKYBEFHNTWBSK-WIYYLYMNSA-N 2 2 399.539 3.719 20 0 GHADLP CC[NH+](CC)CCOc1cccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000903458215 923038606 /nfs/dbraw/zinc/03/86/06/923038606.db2.gz RSRNHTOYXWUAOK-UHFFFAOYSA-N 2 2 385.512 3.542 20 0 GHADLP COc1ccc(F)cc1-c1cncc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000903769825 923271544 /nfs/dbraw/zinc/27/15/44/923271544.db2.gz OVQDBOWOHFGWNZ-YJBOKZPZSA-N 2 2 397.416 3.855 20 0 GHADLP COc1ccc(F)cc1-c1cncc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000903769825 923271549 /nfs/dbraw/zinc/27/15/49/923271549.db2.gz OVQDBOWOHFGWNZ-YJBOKZPZSA-N 2 2 397.416 3.855 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000369998274 923791598 /nfs/dbraw/zinc/79/15/98/923791598.db2.gz RAIGXGRZBBYRLY-HXUWFJFHSA-N 2 2 388.515 3.668 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000369998274 923791609 /nfs/dbraw/zinc/79/16/09/923791609.db2.gz RAIGXGRZBBYRLY-HXUWFJFHSA-N 2 2 388.515 3.668 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cnc4ccccc4c3)CC[C@@H]21 ZINC001137279653 924206702 /nfs/dbraw/zinc/20/67/02/924206702.db2.gz WZVOVKNMQOIUIW-GPXNEJASSA-N 2 2 389.547 3.805 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cnc4ccccc4c3)CC[C@@H]21 ZINC001137279653 924206713 /nfs/dbraw/zinc/20/67/13/924206713.db2.gz WZVOVKNMQOIUIW-GPXNEJASSA-N 2 2 389.547 3.805 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3cnc4ccccc4c3)CC[C@@H]21 ZINC001137279653 924206724 /nfs/dbraw/zinc/20/67/24/924206724.db2.gz WZVOVKNMQOIUIW-GPXNEJASSA-N 2 2 389.547 3.805 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3cnc4ccccc4c3)CC[C@@H]21 ZINC001137279653 924206729 /nfs/dbraw/zinc/20/67/29/924206729.db2.gz WZVOVKNMQOIUIW-GPXNEJASSA-N 2 2 389.547 3.805 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370712223 924271094 /nfs/dbraw/zinc/27/10/94/924271094.db2.gz ZVPUJSLLRASEFB-HNNXBMFYSA-N 2 2 394.357 3.584 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370712223 924271101 /nfs/dbraw/zinc/27/11/01/924271101.db2.gz ZVPUJSLLRASEFB-HNNXBMFYSA-N 2 2 394.357 3.584 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccco1 ZINC000371527528 924635534 /nfs/dbraw/zinc/63/55/34/924635534.db2.gz WXWRBXCYYRRQMT-HKUYNNGSSA-N 2 2 384.524 3.505 20 0 GHADLP COc1cccc([C@@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCO2)c1 ZINC000678237594 924681949 /nfs/dbraw/zinc/68/19/49/924681949.db2.gz ZQBSUABFAYIWPL-DEOSSOPVSA-N 2 2 396.531 3.743 20 0 GHADLP COc1cccc([C@@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCO2)c1 ZINC000678237594 924681954 /nfs/dbraw/zinc/68/19/54/924681954.db2.gz ZQBSUABFAYIWPL-DEOSSOPVSA-N 2 2 396.531 3.743 20 0 GHADLP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Cc1ccc(Cl)cc1 ZINC000678480876 924793266 /nfs/dbraw/zinc/79/32/66/924793266.db2.gz RUMXKQBUSOVZAD-DYESRHJHSA-N 2 2 391.987 3.536 20 0 GHADLP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Cc1ccc(Cl)cc1 ZINC000678480876 924793274 /nfs/dbraw/zinc/79/32/74/924793274.db2.gz RUMXKQBUSOVZAD-DYESRHJHSA-N 2 2 391.987 3.536 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000679425983 925137267 /nfs/dbraw/zinc/13/72/67/925137267.db2.gz CHWJOMPCIMVGDT-JOCHJYFZSA-N 2 2 393.535 3.848 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000679425983 925137270 /nfs/dbraw/zinc/13/72/70/925137270.db2.gz CHWJOMPCIMVGDT-JOCHJYFZSA-N 2 2 393.535 3.848 20 0 GHADLP CC(C)C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372171590 925214243 /nfs/dbraw/zinc/21/42/43/925214243.db2.gz CCSOZAHUNUNCMT-FGZHOGPDSA-N 2 2 386.584 3.584 20 0 GHADLP CC(C)C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372171590 925214266 /nfs/dbraw/zinc/21/42/66/925214266.db2.gz CCSOZAHUNUNCMT-FGZHOGPDSA-N 2 2 386.584 3.584 20 0 GHADLP FC1(F)CC[N@H+](Cc2c[nH]c3ncccc23)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001137401100 925390006 /nfs/dbraw/zinc/39/00/06/925390006.db2.gz QXMATGAAUPBSHN-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[N@@H+](Cc2c[nH]c3ncccc23)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001137401100 925390015 /nfs/dbraw/zinc/39/00/15/925390015.db2.gz QXMATGAAUPBSHN-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2c[nH]c3ncccc23)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001137401100 925390024 /nfs/dbraw/zinc/39/00/24/925390024.db2.gz QXMATGAAUPBSHN-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2c[nH]c3ncccc23)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001137401100 925390033 /nfs/dbraw/zinc/39/00/33/925390033.db2.gz QXMATGAAUPBSHN-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000410348630 925567204 /nfs/dbraw/zinc/56/72/04/925567204.db2.gz ZHZFOJMLVFSJNK-LJQANCHMSA-N 2 2 395.551 3.757 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000410348630 925567210 /nfs/dbraw/zinc/56/72/10/925567210.db2.gz ZHZFOJMLVFSJNK-LJQANCHMSA-N 2 2 395.551 3.757 20 0 GHADLP CN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681211279 925762647 /nfs/dbraw/zinc/76/26/47/925762647.db2.gz RZMPVLWLWVBRDJ-RTWAWAEBSA-N 2 2 386.584 3.584 20 0 GHADLP CN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681211279 925762655 /nfs/dbraw/zinc/76/26/55/925762655.db2.gz RZMPVLWLWVBRDJ-RTWAWAEBSA-N 2 2 386.584 3.584 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ccccc1 ZINC000681977328 925968210 /nfs/dbraw/zinc/96/82/10/925968210.db2.gz RTBATJUPKOOFEG-QFIPXVFZSA-N 2 2 389.478 3.878 20 0 GHADLP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000411175592 926165894 /nfs/dbraw/zinc/16/58/94/926165894.db2.gz DKOJXEJYQLHHQD-UHFFFAOYSA-N 2 2 383.561 3.692 20 0 GHADLP C[C@@]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000411382368 926346351 /nfs/dbraw/zinc/34/63/51/926346351.db2.gz CBFXGGDHJUIVPD-QFIPXVFZSA-N 2 2 385.939 3.816 20 0 GHADLP O=C(CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1)NCc1ccccc1Cl ZINC000411499661 926466280 /nfs/dbraw/zinc/46/62/80/926466280.db2.gz DULQOUYNNDOCQA-UHFFFAOYSA-N 2 2 388.943 3.735 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000726237003 926601634 /nfs/dbraw/zinc/60/16/34/926601634.db2.gz IQEICDMDQJBPGB-WIYYLYMNSA-N 2 2 389.503 3.507 20 0 GHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000726237003 926601639 /nfs/dbraw/zinc/60/16/39/926601639.db2.gz IQEICDMDQJBPGB-WIYYLYMNSA-N 2 2 389.503 3.507 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000726245589 926609019 /nfs/dbraw/zinc/60/90/19/926609019.db2.gz POHDAUPLQBOCHV-UHFFFAOYSA-N 2 2 395.551 3.716 20 0 GHADLP CC(C)Cc1c[nH]c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000412207025 927209195 /nfs/dbraw/zinc/20/91/95/927209195.db2.gz BBLYCEROYZXNJJ-VXKWHMMOSA-N 2 2 388.600 3.622 20 0 GHADLP CC(C)Cc1c[nH]c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000412207025 927209209 /nfs/dbraw/zinc/20/92/09/927209209.db2.gz BBLYCEROYZXNJJ-VXKWHMMOSA-N 2 2 388.600 3.622 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(OCC[NH+](CC)CC)CC1 ZINC000467010464 928587959 /nfs/dbraw/zinc/58/79/59/928587959.db2.gz HTAGRENQBUUJPE-UHFFFAOYSA-N 2 2 399.535 3.739 20 0 GHADLP COc1cc2c(cc1F)CC[C@@H]2Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000467349856 928986461 /nfs/dbraw/zinc/98/64/61/928986461.db2.gz KWSAALMPXJBPQI-FQEVSTJZSA-N 2 2 384.499 3.859 20 0 GHADLP Cc1[nH+]c[nH]c1CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000469628296 930042691 /nfs/dbraw/zinc/04/26/91/930042691.db2.gz AZEWHDXJFPZDFP-UHFFFAOYSA-N 2 2 395.334 3.692 20 0 GHADLP CC(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000469780933 930157883 /nfs/dbraw/zinc/15/78/83/930157883.db2.gz RCMXJLIZLHCXRT-KRWDZBQOSA-N 2 2 383.517 3.905 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](c3ccccc3)C3CCOCC3)[nH+]c2)C1 ZINC000782775947 931332963 /nfs/dbraw/zinc/33/29/63/931332963.db2.gz KDIQVAJLBZCDKU-GGAORHGYSA-N 2 2 380.536 3.802 20 0 GHADLP C[NH+]1CCN(CCC[NH2+][C@@H](c2cccnc2)c2ccc(Cl)cc2Cl)CC1 ZINC000924578684 931427762 /nfs/dbraw/zinc/42/77/62/931427762.db2.gz PABFFWAOHQTIHC-FQEVSTJZSA-N 2 2 393.362 3.705 20 0 GHADLP CC(=O)Nc1cccc([C@H](C)[NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)c1 ZINC000926962307 932364995 /nfs/dbraw/zinc/36/49/95/932364995.db2.gz ZPWHYDJTRXZONQ-IBGZPJMESA-N 2 2 395.547 3.977 20 0 GHADLP CC(=O)Nc1cccc([C@H](C)[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)c1 ZINC000926962307 932365003 /nfs/dbraw/zinc/36/50/03/932365003.db2.gz ZPWHYDJTRXZONQ-IBGZPJMESA-N 2 2 395.547 3.977 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000798954634 932836666 /nfs/dbraw/zinc/83/66/66/932836666.db2.gz YQXTZGPKCMFENQ-JOCHJYFZSA-N 2 2 389.540 3.880 20 0 GHADLP CC(C)(COCc1ccccc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000560195020 933122354 /nfs/dbraw/zinc/12/23/54/933122354.db2.gz OMAVYCZQAPPXGO-QHCPKHFHSA-N 2 2 382.548 3.863 20 0 GHADLP CC(C)(COCc1ccccc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000560195020 933122356 /nfs/dbraw/zinc/12/23/56/933122356.db2.gz OMAVYCZQAPPXGO-QHCPKHFHSA-N 2 2 382.548 3.863 20 0 GHADLP COc1ccc(SCCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1OC ZINC001116118221 933344792 /nfs/dbraw/zinc/34/47/92/933344792.db2.gz BWSSJENRMXUCAO-UHFFFAOYSA-N 2 2 398.488 3.714 20 0 GHADLP C[C@H](c1cccc(NC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)c1)[NH+]1CCOCC1 ZINC001121921020 934788389 /nfs/dbraw/zinc/78/83/89/934788389.db2.gz NJULNSBQFKTTLB-NQIIRXRSSA-N 2 2 385.552 3.578 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2c(Cl)cncc2Cl)CC3)n1 ZINC001137606806 935621993 /nfs/dbraw/zinc/62/19/93/935621993.db2.gz NHRCDWQLQBVPOP-UHFFFAOYSA-N 2 2 394.350 3.753 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2c(Cl)cncc2Cl)CC3)n1 ZINC001137606806 935621996 /nfs/dbraw/zinc/62/19/96/935621996.db2.gz NHRCDWQLQBVPOP-UHFFFAOYSA-N 2 2 394.350 3.753 20 0 GHADLP [NH3+]CCCCCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000828666502 935686522 /nfs/dbraw/zinc/68/65/22/935686522.db2.gz FFULQESBEDEHNV-UHFFFAOYSA-N 2 2 376.504 3.734 20 0 GHADLP Fc1cc(F)c(F)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c1 ZINC001137870819 935835784 /nfs/dbraw/zinc/83/57/84/935835784.db2.gz CSRSEJPSPYVXPC-UHFFFAOYSA-N 2 2 390.449 3.971 20 0 GHADLP Fc1cc(F)c(F)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001137870819 935835787 /nfs/dbraw/zinc/83/57/87/935835787.db2.gz CSRSEJPSPYVXPC-UHFFFAOYSA-N 2 2 390.449 3.971 20 0 GHADLP Fc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001137960762 935893011 /nfs/dbraw/zinc/89/30/11/935893011.db2.gz QOFJMBQZAHDINF-YLJYHZDGSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1c(Cl)cccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001137960762 935893015 /nfs/dbraw/zinc/89/30/15/935893015.db2.gz QOFJMBQZAHDINF-YLJYHZDGSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1c(Cl)cccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001137960762 935893019 /nfs/dbraw/zinc/89/30/19/935893019.db2.gz QOFJMBQZAHDINF-YLJYHZDGSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1c(Cl)cccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001137960762 935893023 /nfs/dbraw/zinc/89/30/23/935893023.db2.gz QOFJMBQZAHDINF-YLJYHZDGSA-N 2 2 389.902 3.597 20 0 GHADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001138050164 935954263 /nfs/dbraw/zinc/95/42/63/935954263.db2.gz GQISVFYOLQUNMV-DLBZAZTESA-N 2 2 375.866 3.569 20 0 GHADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001138050164 935954266 /nfs/dbraw/zinc/95/42/66/935954266.db2.gz GQISVFYOLQUNMV-DLBZAZTESA-N 2 2 375.866 3.569 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]CCc2nc3c(cccc3F)n2C)C[N@H+](Cc2ccccc2)C1 ZINC000468520009 1015772848 /nfs/dbraw/zinc/77/28/48/1015772848.db2.gz VTOIGZWVEGOSTC-PKOBYXMFSA-N 2 2 380.511 3.755 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]CCc2nc3c(cccc3F)n2C)C[N@@H+](Cc2ccccc2)C1 ZINC000468520009 1015772857 /nfs/dbraw/zinc/77/28/57/1015772857.db2.gz VTOIGZWVEGOSTC-PKOBYXMFSA-N 2 2 380.511 3.755 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000545369214 1015815621 /nfs/dbraw/zinc/81/56/21/1015815621.db2.gz DZMFQCFLDYPFNU-UHFFFAOYSA-N 2 2 392.469 3.921 20 0 GHADLP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000468897933 1016185517 /nfs/dbraw/zinc/18/55/17/1016185517.db2.gz ISXXIRMKWJITGB-HDICACEKSA-N 2 2 384.524 3.645 20 0 GHADLP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000468897933 1016185521 /nfs/dbraw/zinc/18/55/21/1016185521.db2.gz ISXXIRMKWJITGB-HDICACEKSA-N 2 2 384.524 3.645 20 0 GHADLP CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000468947148 1016257480 /nfs/dbraw/zinc/25/74/80/1016257480.db2.gz NBCMBMDLRFFSML-WOJBJXKFSA-N 2 2 398.551 3.574 20 0 GHADLP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc(Br)c1OC(F)F ZINC000469863984 1016649489 /nfs/dbraw/zinc/64/94/89/1016649489.db2.gz DPSYPVYMAFZTEI-JQWIXIFHSA-N 2 2 393.272 3.618 20 0 GHADLP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc(Br)c1OC(F)F ZINC000469863984 1016649496 /nfs/dbraw/zinc/64/94/96/1016649496.db2.gz DPSYPVYMAFZTEI-JQWIXIFHSA-N 2 2 393.272 3.618 20 0 GHADLP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000925177690 1017044816 /nfs/dbraw/zinc/04/48/16/1017044816.db2.gz DLYOCFDEFAGCEH-YROCYRMSSA-N 2 2 394.494 3.699 20 0 GHADLP C[NH+](C)C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000558899393 1017311643 /nfs/dbraw/zinc/31/16/43/1017311643.db2.gz BNSRIZYBJPEHEO-IBGZPJMESA-N 2 2 397.910 3.628 20 0 GHADLP COc1cccc(OC)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001204252320 1032695253 /nfs/dbraw/zinc/69/52/53/1032695253.db2.gz XSVINKQPJHIWMH-RCZSKKKRSA-N 2 2 395.547 3.831 20 0 GHADLP COc1cccc(OC)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001204252320 1032695270 /nfs/dbraw/zinc/69/52/70/1032695270.db2.gz XSVINKQPJHIWMH-RCZSKKKRSA-N 2 2 395.547 3.831 20 0 GHADLP COc1cccc(OC)c1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001204252320 1032695287 /nfs/dbraw/zinc/69/52/87/1032695287.db2.gz XSVINKQPJHIWMH-RCZSKKKRSA-N 2 2 395.547 3.831 20 0 GHADLP COc1cccc(OC)c1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001204252320 1032695302 /nfs/dbraw/zinc/69/53/02/1032695302.db2.gz XSVINKQPJHIWMH-RCZSKKKRSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c(OC)c1C ZINC001204260972 1032705466 /nfs/dbraw/zinc/70/54/66/1032705466.db2.gz YWGUXIYYTOTSNP-SZPZYZBQSA-N 2 2 380.532 3.884 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c(OC)c1C ZINC001204260972 1032705484 /nfs/dbraw/zinc/70/54/84/1032705484.db2.gz YWGUXIYYTOTSNP-SZPZYZBQSA-N 2 2 380.532 3.884 20 0 GHADLP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)c(OC)c1C ZINC001204260972 1032705494 /nfs/dbraw/zinc/70/54/94/1032705494.db2.gz YWGUXIYYTOTSNP-SZPZYZBQSA-N 2 2 380.532 3.884 20 0 GHADLP COc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)c(OC)c1C ZINC001204260972 1032705504 /nfs/dbraw/zinc/70/55/04/1032705504.db2.gz YWGUXIYYTOTSNP-SZPZYZBQSA-N 2 2 380.532 3.884 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1cccc2ccccc21)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000561076661 1017789022 /nfs/dbraw/zinc/78/90/22/1017789022.db2.gz GJDRNKPIEAOLLA-OALUTQOASA-N 2 2 388.515 3.623 20 0 GHADLP O=C(Nc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1)c1ccncc1 ZINC000562747932 1018598208 /nfs/dbraw/zinc/59/82/08/1018598208.db2.gz VBIHGDVIHAKRKC-GGAORHGYSA-N 2 2 386.499 3.917 20 0 GHADLP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000562768120 1018617544 /nfs/dbraw/zinc/61/75/44/1018617544.db2.gz FODHMIWVETXIHN-VXKWHMMOSA-N 2 2 387.487 3.579 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc(OC(F)F)cc2)CC3)cn1 ZINC001204420513 1032850741 /nfs/dbraw/zinc/85/07/41/1032850741.db2.gz JJOWPJNPNQXZOU-UHFFFAOYSA-N 2 2 390.478 3.652 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccc(OC(F)F)cc2)CC3)cn1 ZINC001204420513 1032850752 /nfs/dbraw/zinc/85/07/52/1032850752.db2.gz JJOWPJNPNQXZOU-UHFFFAOYSA-N 2 2 390.478 3.652 20 0 GHADLP Cc1cccc(Oc2nc(Cl)ncc2NCC2([NH+](C)C)CC[NH+](C)CC2)c1 ZINC001156187548 1032916331 /nfs/dbraw/zinc/91/63/31/1032916331.db2.gz IGIMITMWEINQTJ-UHFFFAOYSA-N 2 2 389.931 3.669 20 0 GHADLP COc1ccccc1N1CCC([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000631098641 1020858932 /nfs/dbraw/zinc/85/89/32/1020858932.db2.gz CZWGVRJOSCMAGQ-LJQANCHMSA-N 2 2 394.563 3.874 20 0 GHADLP c1ccc(CC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccn2)cc1 ZINC000631584086 1020892496 /nfs/dbraw/zinc/89/24/96/1020892496.db2.gz WRLJPEYECJNHPU-ISKFKSNPSA-N 2 2 379.548 3.989 20 0 GHADLP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000638668796 1021050672 /nfs/dbraw/zinc/05/06/72/1021050672.db2.gz PEXPRNFKHZEVCH-QGZVFWFLSA-N 2 2 394.519 3.614 20 0 GHADLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(C(F)(F)F)cn1 ZINC000902790700 1021540813 /nfs/dbraw/zinc/54/08/13/1021540813.db2.gz RXZOBRWJOHNEGO-JXFKEZNVSA-N 2 2 392.469 3.740 20 0 GHADLP FC(F)Oc1c(Br)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000679025641 1021953568 /nfs/dbraw/zinc/95/35/68/1021953568.db2.gz OWLAYIARSAUXAO-OLZOCXBDSA-N 2 2 375.257 3.767 20 0 GHADLP FC(F)Oc1c(Br)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000679025641 1021953570 /nfs/dbraw/zinc/95/35/70/1021953570.db2.gz OWLAYIARSAUXAO-OLZOCXBDSA-N 2 2 375.257 3.767 20 0 GHADLP Fc1cccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1Cl ZINC001140560867 1021972987 /nfs/dbraw/zinc/97/29/87/1021972987.db2.gz CHXKBTWPHYTNFC-YLJYHZDGSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1Cl ZINC001140560867 1021972988 /nfs/dbraw/zinc/97/29/88/1021972988.db2.gz CHXKBTWPHYTNFC-YLJYHZDGSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c1Cl ZINC001140560867 1021972991 /nfs/dbraw/zinc/97/29/91/1021972991.db2.gz CHXKBTWPHYTNFC-YLJYHZDGSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c1Cl ZINC001140560867 1021972992 /nfs/dbraw/zinc/97/29/92/1021972992.db2.gz CHXKBTWPHYTNFC-YLJYHZDGSA-N 2 2 389.902 3.597 20 0 GHADLP Cc1cc(NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(C)c[nH+]1 ZINC000680224684 1022117733 /nfs/dbraw/zinc/11/77/33/1022117733.db2.gz WWDAPIRTSSXAQP-PWRODBHTSA-N 2 2 378.520 3.543 20 0 GHADLP Cc1cc(NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(C)c[nH+]1 ZINC000680224684 1022117744 /nfs/dbraw/zinc/11/77/44/1022117744.db2.gz WWDAPIRTSSXAQP-PWRODBHTSA-N 2 2 378.520 3.543 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC001204755198 1033068332 /nfs/dbraw/zinc/06/83/32/1033068332.db2.gz DFQIKXJEAXZVKG-STQMWFEESA-N 2 2 378.294 3.606 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc4c(c2)OCCO4)C3)cc1 ZINC001141041883 1023365678 /nfs/dbraw/zinc/36/56/78/1023365678.db2.gz OQMSIEBJHRXHFR-XMMPIXPASA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc4c(c2)OCCO4)C3)cc1 ZINC001141041883 1023365688 /nfs/dbraw/zinc/36/56/88/1023365688.db2.gz OQMSIEBJHRXHFR-XMMPIXPASA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccc4c(c2)OCCO4)C3)cc1 ZINC001141041883 1023365703 /nfs/dbraw/zinc/36/57/03/1023365703.db2.gz OQMSIEBJHRXHFR-XMMPIXPASA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccc4c(c2)OCCO4)C3)cc1 ZINC001141041883 1023365709 /nfs/dbraw/zinc/36/57/09/1023365709.db2.gz OQMSIEBJHRXHFR-XMMPIXPASA-N 2 2 378.516 3.946 20 0 GHADLP Fc1ccc(-c2cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccn2)cc1 ZINC001141116968 1023536438 /nfs/dbraw/zinc/53/64/38/1023536438.db2.gz SOQMGLDVEWYQES-SZPZYZBQSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(-c2cc(C[N@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccn2)cc1 ZINC001141116968 1023536444 /nfs/dbraw/zinc/53/64/44/1023536444.db2.gz SOQMGLDVEWYQES-SZPZYZBQSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(-c2cc(C[NH+]3C[C@@H]4C[N@H+](Cc5cccnc5)C[C@@H]4C3)ccn2)cc1 ZINC001141116968 1023536449 /nfs/dbraw/zinc/53/64/49/1023536449.db2.gz SOQMGLDVEWYQES-SZPZYZBQSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(-c2cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccnc5)C[C@@H]4C3)ccn2)cc1 ZINC001141116968 1023536453 /nfs/dbraw/zinc/53/64/53/1023536453.db2.gz SOQMGLDVEWYQES-SZPZYZBQSA-N 2 2 388.490 3.847 20 0 GHADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(OCc4ccc(F)cc4)cc3)C[C@@H]2C1 ZINC001138250463 1024465662 /nfs/dbraw/zinc/46/56/62/1024465662.db2.gz DHWYDDFFELTXHB-NZQKXSOJSA-N 2 2 384.495 3.557 20 0 GHADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(OCc4ccc(F)cc4)cc3)C[C@@H]2C1 ZINC001138250463 1024465668 /nfs/dbraw/zinc/46/56/68/1024465668.db2.gz DHWYDDFFELTXHB-NZQKXSOJSA-N 2 2 384.495 3.557 20 0 GHADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(OCc4ccc(F)cc4)cc3)C[C@@H]2C1 ZINC001138250463 1024465679 /nfs/dbraw/zinc/46/56/79/1024465679.db2.gz DHWYDDFFELTXHB-NZQKXSOJSA-N 2 2 384.495 3.557 20 0 GHADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(OCc4ccc(F)cc4)cc3)C[C@@H]2C1 ZINC001138250463 1024465695 /nfs/dbraw/zinc/46/56/95/1024465695.db2.gz DHWYDDFFELTXHB-NZQKXSOJSA-N 2 2 384.495 3.557 20 0 GHADLP CCOC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)Cc2cnn(CC)c21 ZINC001138543261 1024985959 /nfs/dbraw/zinc/98/59/59/1024985959.db2.gz QBWLTSYMIPRTDZ-FQEVSTJZSA-N 2 2 379.508 3.533 20 0 GHADLP CCOC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)Cc2cnn(CC)c21 ZINC001138543261 1024985962 /nfs/dbraw/zinc/98/59/62/1024985962.db2.gz QBWLTSYMIPRTDZ-FQEVSTJZSA-N 2 2 379.508 3.533 20 0 GHADLP Cc1nc(C(F)(F)F)ccc1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001141426522 1025010039 /nfs/dbraw/zinc/01/00/39/1025010039.db2.gz HFRKEEOISSWRRQ-LJQANCHMSA-N 2 2 385.474 3.732 20 0 GHADLP Cc1nc(C(F)(F)F)ccc1C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001141426522 1025010053 /nfs/dbraw/zinc/01/00/53/1025010053.db2.gz HFRKEEOISSWRRQ-LJQANCHMSA-N 2 2 385.474 3.732 20 0 GHADLP Cc1nc(C(F)(F)F)ccc1C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001141426522 1025010067 /nfs/dbraw/zinc/01/00/67/1025010067.db2.gz HFRKEEOISSWRRQ-LJQANCHMSA-N 2 2 385.474 3.732 20 0 GHADLP Cc1nc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001141426522 1025010082 /nfs/dbraw/zinc/01/00/82/1025010082.db2.gz HFRKEEOISSWRRQ-LJQANCHMSA-N 2 2 385.474 3.732 20 0 GHADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2I)CC1 ZINC001205124175 1033266287 /nfs/dbraw/zinc/26/62/87/1033266287.db2.gz KOQIEPVBSVDLNK-LBPRGKRZSA-N 2 2 398.210 3.623 20 0 GHADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2I)CC1 ZINC001205124175 1033266298 /nfs/dbraw/zinc/26/62/98/1033266298.db2.gz KOQIEPVBSVDLNK-LBPRGKRZSA-N 2 2 398.210 3.623 20 0 GHADLP CCCCc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)s1 ZINC001138755681 1025307627 /nfs/dbraw/zinc/30/76/27/1025307627.db2.gz ICGVDXDUJMXLFG-UHFFFAOYSA-N 2 2 391.625 3.855 20 0 GHADLP CCN(CC)c1ncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001138802052 1025389806 /nfs/dbraw/zinc/38/98/06/1025389806.db2.gz AZNUPCLSHZPNJK-VQTJNVASSA-N 2 2 384.593 3.943 20 0 GHADLP CCN(CC)c1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001138802052 1025389814 /nfs/dbraw/zinc/38/98/14/1025389814.db2.gz AZNUPCLSHZPNJK-VQTJNVASSA-N 2 2 384.593 3.943 20 0 GHADLP CCN(CC)c1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001138802052 1025389828 /nfs/dbraw/zinc/38/98/28/1025389828.db2.gz AZNUPCLSHZPNJK-VQTJNVASSA-N 2 2 384.593 3.943 20 0 GHADLP CCN(CC)c1ncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001138802052 1025389845 /nfs/dbraw/zinc/38/98/45/1025389845.db2.gz AZNUPCLSHZPNJK-VQTJNVASSA-N 2 2 384.593 3.943 20 0 GHADLP COc1cc2[nH+]c(N3CCC([NH3+])(Cc4ccccc4F)CC3)ccc2c(OC)c1 ZINC001161989524 1025522921 /nfs/dbraw/zinc/52/29/21/1025522921.db2.gz BOXWGCYRJNPJOD-UHFFFAOYSA-N 2 2 395.478 3.932 20 0 GHADLP CCOc1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1OC(C)=O ZINC001139004090 1025749758 /nfs/dbraw/zinc/74/97/58/1025749758.db2.gz NEUAZLKJRFIXMS-FGZHOGPDSA-N 2 2 394.515 3.574 20 0 GHADLP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(-c4cccs4)s3)CC[C@@H]21 ZINC001139018897 1025778822 /nfs/dbraw/zinc/77/88/22/1025778822.db2.gz NIOOXLQDWBGMSD-RYRKJORJSA-N 2 2 399.589 3.663 20 0 GHADLP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(-c4cccs4)s3)CC[C@@H]21 ZINC001139018897 1025778837 /nfs/dbraw/zinc/77/88/37/1025778837.db2.gz NIOOXLQDWBGMSD-RYRKJORJSA-N 2 2 399.589 3.663 20 0 GHADLP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccc(-c4cccs4)s3)CC[C@@H]21 ZINC001139018897 1025778854 /nfs/dbraw/zinc/77/88/54/1025778854.db2.gz NIOOXLQDWBGMSD-RYRKJORJSA-N 2 2 399.589 3.663 20 0 GHADLP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccc(-c4cccs4)s3)CC[C@@H]21 ZINC001139018897 1025778871 /nfs/dbraw/zinc/77/88/71/1025778871.db2.gz NIOOXLQDWBGMSD-RYRKJORJSA-N 2 2 399.589 3.663 20 0 GHADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc(-c2ccccc2)ccc1OC ZINC001139070425 1025870625 /nfs/dbraw/zinc/87/06/25/1025870625.db2.gz KZZBWXOFCNDIKD-UHFFFAOYSA-N 2 2 384.520 3.679 20 0 GHADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc(-c2ccccc2)ccc1OC ZINC001139070425 1025870652 /nfs/dbraw/zinc/87/06/52/1025870652.db2.gz KZZBWXOFCNDIKD-UHFFFAOYSA-N 2 2 384.520 3.679 20 0 GHADLP COc1cc(O)ccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001139140708 1025954980 /nfs/dbraw/zinc/95/49/80/1025954980.db2.gz PIVRLCIMTAZKPH-HSQYWUDLSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)ccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001139140708 1025954981 /nfs/dbraw/zinc/95/49/81/1025954981.db2.gz PIVRLCIMTAZKPH-HSQYWUDLSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)ccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001139140708 1025954985 /nfs/dbraw/zinc/95/49/85/1025954985.db2.gz PIVRLCIMTAZKPH-HSQYWUDLSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)ccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001139140708 1025954989 /nfs/dbraw/zinc/95/49/89/1025954989.db2.gz PIVRLCIMTAZKPH-HSQYWUDLSA-N 2 2 381.520 3.528 20 0 GHADLP c1[nH+]c2cc(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)ccc2n1-c1ccccc1 ZINC001162966094 1025991081 /nfs/dbraw/zinc/99/10/81/1025991081.db2.gz QNIBOIAQINGIHC-HXUWFJFHSA-N 2 2 376.504 3.986 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc4c(ccn4C)c2)CC3)n1 ZINC001139195205 1026035170 /nfs/dbraw/zinc/03/51/70/1026035170.db2.gz ZQQILPGADNXMHX-UHFFFAOYSA-N 2 2 377.536 3.542 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2ccc4c(ccn4C)c2)CC3)n1 ZINC001139195205 1026035184 /nfs/dbraw/zinc/03/51/84/1026035184.db2.gz ZQQILPGADNXMHX-UHFFFAOYSA-N 2 2 377.536 3.542 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4nsnc4c3)C[C@H]21 ZINC001139212542 1026063721 /nfs/dbraw/zinc/06/37/21/1026063721.db2.gz GXZXUZSSKAVDFI-LRXVAGHRSA-N 2 2 393.560 3.819 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4nsnc4c3)C[C@H]21 ZINC001139212542 1026063735 /nfs/dbraw/zinc/06/37/35/1026063735.db2.gz GXZXUZSSKAVDFI-LRXVAGHRSA-N 2 2 393.560 3.819 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4nsnc4c3)C[C@H]21 ZINC001139212542 1026063746 /nfs/dbraw/zinc/06/37/46/1026063746.db2.gz GXZXUZSSKAVDFI-LRXVAGHRSA-N 2 2 393.560 3.819 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4nsnc4c3)C[C@H]21 ZINC001139212542 1026063754 /nfs/dbraw/zinc/06/37/54/1026063754.db2.gz GXZXUZSSKAVDFI-LRXVAGHRSA-N 2 2 393.560 3.819 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c2cc(Br)ccc21 ZINC001139219033 1026073217 /nfs/dbraw/zinc/07/32/17/1026073217.db2.gz PKPVJNPPZDAMAE-KRWDZBQOSA-N 2 2 386.293 3.989 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c2cc(Br)ccc21 ZINC001139219033 1026073232 /nfs/dbraw/zinc/07/32/32/1026073232.db2.gz PKPVJNPPZDAMAE-KRWDZBQOSA-N 2 2 386.293 3.989 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC=C(c4ccc(Cl)cc4)CC3)s2)CC1 ZINC001139320549 1026180938 /nfs/dbraw/zinc/18/09/38/1026180938.db2.gz ZUPQJHYINQJALO-UHFFFAOYSA-N 2 2 388.968 3.838 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC=C(c4ccc(Cl)cc4)CC3)s2)CC1 ZINC001139320549 1026180943 /nfs/dbraw/zinc/18/09/43/1026180943.db2.gz ZUPQJHYINQJALO-UHFFFAOYSA-N 2 2 388.968 3.838 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cc(Cl)cnc2Cl)CC3)cn1 ZINC001139352879 1026225020 /nfs/dbraw/zinc/22/50/20/1026225020.db2.gz SOHWYZGIIWYZQJ-UHFFFAOYSA-N 2 2 394.350 3.753 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cc(Cl)cnc2Cl)CC3)cn1 ZINC001139352879 1026225031 /nfs/dbraw/zinc/22/50/31/1026225031.db2.gz SOHWYZGIIWYZQJ-UHFFFAOYSA-N 2 2 394.350 3.753 20 0 GHADLP C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139356144 1026227309 /nfs/dbraw/zinc/22/73/09/1026227309.db2.gz FOUHPLOYIPMVKJ-MJGOQNOKSA-N 2 2 384.524 3.998 20 0 GHADLP C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139356144 1026227320 /nfs/dbraw/zinc/22/73/20/1026227320.db2.gz FOUHPLOYIPMVKJ-MJGOQNOKSA-N 2 2 384.524 3.998 20 0 GHADLP O=C1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)N1 ZINC001139360543 1026232265 /nfs/dbraw/zinc/23/22/65/1026232265.db2.gz ZGLLUHIUKXPMFD-QFIPXVFZSA-N 2 2 386.499 3.511 20 0 GHADLP O=C(NCC1CC1)[C@@H]1CCC2(C1)CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001139359809 1026232665 /nfs/dbraw/zinc/23/26/65/1026232665.db2.gz KVNNZMJRXZWACG-OAQYLSRUSA-N 2 2 392.547 3.781 20 0 GHADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001139364281 1026240021 /nfs/dbraw/zinc/24/00/21/1026240021.db2.gz QGSJEWYCJKDWGB-DEOSSOPVSA-N 2 2 390.531 3.595 20 0 GHADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001139364281 1026240037 /nfs/dbraw/zinc/24/00/37/1026240037.db2.gz QGSJEWYCJKDWGB-DEOSSOPVSA-N 2 2 390.531 3.595 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001139396210 1026265894 /nfs/dbraw/zinc/26/58/94/1026265894.db2.gz PDYFNOHROZUBEU-IYBDPMFKSA-N 2 2 395.528 3.580 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001139396210 1026265907 /nfs/dbraw/zinc/26/59/07/1026265907.db2.gz PDYFNOHROZUBEU-IYBDPMFKSA-N 2 2 395.528 3.580 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001139396210 1026265921 /nfs/dbraw/zinc/26/59/21/1026265921.db2.gz PDYFNOHROZUBEU-IYBDPMFKSA-N 2 2 395.528 3.580 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001139396210 1026265935 /nfs/dbraw/zinc/26/59/35/1026265935.db2.gz PDYFNOHROZUBEU-IYBDPMFKSA-N 2 2 395.528 3.580 20 0 GHADLP c1ccc(N2CCOCC2)c(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC001139506702 1026361320 /nfs/dbraw/zinc/36/13/20/1026361320.db2.gz AZYTXWSHLDDCTL-UHFFFAOYSA-N 2 2 391.559 3.546 20 0 GHADLP c1ccc(N2CCOCC2)c(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)c1 ZINC001139506702 1026361331 /nfs/dbraw/zinc/36/13/31/1026361331.db2.gz AZYTXWSHLDDCTL-UHFFFAOYSA-N 2 2 391.559 3.546 20 0 GHADLP CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139515207 1026371487 /nfs/dbraw/zinc/37/14/87/1026371487.db2.gz HYBGQIGWGSHVQE-QHCPKHFHSA-N 2 2 377.532 3.562 20 0 GHADLP CC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139515207 1026371494 /nfs/dbraw/zinc/37/14/94/1026371494.db2.gz HYBGQIGWGSHVQE-QHCPKHFHSA-N 2 2 377.532 3.562 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(OC(F)F)cc3F)c2)CCO1 ZINC001461097229 1069387712 /nfs/dbraw/zinc/38/77/12/1069387712.db2.gz GLWSIIFFBNRHHV-OAHLLOKOSA-N 2 2 394.437 3.938 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(OC(F)F)cc3F)c2)CCO1 ZINC001461097229 1069387716 /nfs/dbraw/zinc/38/77/16/1069387716.db2.gz GLWSIIFFBNRHHV-OAHLLOKOSA-N 2 2 394.437 3.938 20 0 GHADLP Cc1nc2sc3c(c2c(NCC2([NH+](C)C)CC[NH+](C)CC2)n1)CC[C@@H](C)C3 ZINC001164210250 1026453520 /nfs/dbraw/zinc/45/35/20/1026453520.db2.gz BEYJHSGCBYYCLY-CQSZACIVSA-N 2 2 387.597 3.562 20 0 GHADLP CC1(C)c2c[nH+]c(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc2NC1=O ZINC001164483524 1026524345 /nfs/dbraw/zinc/52/43/45/1026524345.db2.gz BZIGYSOCPKYNDS-JENIJYKNSA-N 2 2 376.504 3.634 20 0 GHADLP CC1(C)c2c[nH+]c(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc2NC1=O ZINC001164483524 1026524347 /nfs/dbraw/zinc/52/43/47/1026524347.db2.gz BZIGYSOCPKYNDS-JENIJYKNSA-N 2 2 376.504 3.634 20 0 GHADLP c1ccc([C@H]2CCC[N@@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)cc1 ZINC001139763656 1026601106 /nfs/dbraw/zinc/60/11/06/1026601106.db2.gz AKMDLAQTVZNMOZ-QHCPKHFHSA-N 2 2 380.532 3.777 20 0 GHADLP c1ccc([C@H]2CCC[N@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)cc1 ZINC001139763656 1026601111 /nfs/dbraw/zinc/60/11/11/1026601111.db2.gz AKMDLAQTVZNMOZ-QHCPKHFHSA-N 2 2 380.532 3.777 20 0 GHADLP Brc1cccc2c([C@@H]3CN(c4cc5[nH]ccc5c[nH+]4)CCO3)[nH+]cn21 ZINC001165317626 1026702335 /nfs/dbraw/zinc/70/23/35/1026702335.db2.gz CKWZFPMLCYFKMC-HNNXBMFYSA-N 2 2 398.264 3.551 20 0 GHADLP Cc1[nH+]c2c(n1-c1nc(-c3cccc(Cl)c3)nc3c1CCCC3)CC[NH2+]CC2 ZINC001165356398 1026712306 /nfs/dbraw/zinc/71/23/06/1026712306.db2.gz OZRKZEVXEPTIQR-UHFFFAOYSA-N 2 2 393.922 3.858 20 0 GHADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)c12 ZINC001165431556 1026726085 /nfs/dbraw/zinc/72/60/85/1026726085.db2.gz FUGNYGQUBSWMCP-RBUKOAKNSA-N 2 2 393.510 3.610 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC001140021735 1026807338 /nfs/dbraw/zinc/80/73/38/1026807338.db2.gz PSHIZPUILGRCGD-UHFFFAOYSA-N 2 2 382.508 3.670 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC001140021735 1026807348 /nfs/dbraw/zinc/80/73/48/1026807348.db2.gz PSHIZPUILGRCGD-UHFFFAOYSA-N 2 2 382.508 3.670 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCCN(C(=O)C2CCCCC2)CC1 ZINC001140027184 1026815526 /nfs/dbraw/zinc/81/55/26/1026815526.db2.gz BNERYAPYMGVNBG-UHFFFAOYSA-N 2 2 380.536 3.795 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCCN(C(=O)C2CCCCC2)CC1 ZINC001140027184 1026815535 /nfs/dbraw/zinc/81/55/35/1026815535.db2.gz BNERYAPYMGVNBG-UHFFFAOYSA-N 2 2 380.536 3.795 20 0 GHADLP COc1cccnc1O[C@H]1CCC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140027197 1026815682 /nfs/dbraw/zinc/81/56/82/1026815682.db2.gz BRKIWXZECGUORO-IBGZPJMESA-N 2 2 378.476 3.628 20 0 GHADLP COc1cccnc1O[C@H]1CCC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140027197 1026815687 /nfs/dbraw/zinc/81/56/87/1026815687.db2.gz BRKIWXZECGUORO-IBGZPJMESA-N 2 2 378.476 3.628 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)cc12 ZINC001461153999 1069415806 /nfs/dbraw/zinc/41/58/06/1069415806.db2.gz WIVZKUXEZNTSTG-SFHVURJKSA-N 2 2 397.954 3.584 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)cc12 ZINC001461153999 1069415810 /nfs/dbraw/zinc/41/58/10/1069415810.db2.gz WIVZKUXEZNTSTG-SFHVURJKSA-N 2 2 397.954 3.584 20 0 GHADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001166496701 1027014889 /nfs/dbraw/zinc/01/48/89/1027014889.db2.gz NWVGARVHJNCODM-UHFFFAOYSA-N 2 2 387.443 3.860 20 0 GHADLP CC[NH+](CC)Cc1ccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)cc1 ZINC001209824825 1027222854 /nfs/dbraw/zinc/22/28/54/1027222854.db2.gz SLOCGTHDFASSOX-UHFFFAOYSA-N 2 2 394.563 3.793 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2coc4ccc(F)cc24)CC3)cn1 ZINC001141851605 1027439987 /nfs/dbraw/zinc/43/99/87/1027439987.db2.gz XQDQSMBZLMQBCI-UHFFFAOYSA-N 2 2 382.483 3.936 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2coc4ccc(F)cc24)CC3)cn1 ZINC001141851605 1027439990 /nfs/dbraw/zinc/43/99/90/1027439990.db2.gz XQDQSMBZLMQBCI-UHFFFAOYSA-N 2 2 382.483 3.936 20 0 GHADLP C[NH2+]Cc1ccc(Nc2cncnc2[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001211127587 1027800875 /nfs/dbraw/zinc/80/08/75/1027800875.db2.gz PCWCQJNNTQDAHC-QFIPXVFZSA-N 2 2 389.503 3.513 20 0 GHADLP C[NH2+]Cc1ccc(Nc2cncnc2[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001211127587 1027800898 /nfs/dbraw/zinc/80/08/98/1027800898.db2.gz PCWCQJNNTQDAHC-QFIPXVFZSA-N 2 2 389.503 3.513 20 0 GHADLP C[C@H](CNC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC001211278152 1027883498 /nfs/dbraw/zinc/88/34/98/1027883498.db2.gz WKGHHBFGIQRIIO-GUDVDZBRSA-N 2 2 389.588 3.790 20 0 GHADLP C[C@H](CNC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC001211278152 1027883521 /nfs/dbraw/zinc/88/35/21/1027883521.db2.gz WKGHHBFGIQRIIO-GUDVDZBRSA-N 2 2 389.588 3.790 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(OC)c1O ZINC001204126354 1027899322 /nfs/dbraw/zinc/89/93/22/1027899322.db2.gz WUUCNEDQZAMPFT-DEOSSOPVSA-N 2 2 396.531 3.898 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(OC)c1O ZINC001204126354 1027899342 /nfs/dbraw/zinc/89/93/42/1027899342.db2.gz WUUCNEDQZAMPFT-DEOSSOPVSA-N 2 2 396.531 3.898 20 0 GHADLP COc1cc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(OC)c1O ZINC001204126354 1027899356 /nfs/dbraw/zinc/89/93/56/1027899356.db2.gz WUUCNEDQZAMPFT-DEOSSOPVSA-N 2 2 396.531 3.898 20 0 GHADLP COc1cc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc(OC)c1O ZINC001204126354 1027899366 /nfs/dbraw/zinc/89/93/66/1027899366.db2.gz WUUCNEDQZAMPFT-DEOSSOPVSA-N 2 2 396.531 3.898 20 0 GHADLP Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000841065537 1028084911 /nfs/dbraw/zinc/08/49/11/1028084911.db2.gz ZRRYOLFSADTTPF-ZBEGNZNMSA-N 2 2 386.849 3.941 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5c(c4)OCCCO5)C[C@H]3C2)cc1 ZINC001142258723 1028508657 /nfs/dbraw/zinc/50/86/57/1028508657.db2.gz WHBUNMFNFZVNQW-FGZHOGPDSA-N 2 2 378.516 3.720 20 0 GHADLP CC[NH+]1CCC(N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC001215971808 1029476730 /nfs/dbraw/zinc/47/67/30/1029476730.db2.gz VCCGITLUZKNEKV-UHFFFAOYSA-N 2 2 379.508 3.550 20 0 GHADLP C[C@H](C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)[NH+]1CCSCC1 ZINC001142875062 1029622214 /nfs/dbraw/zinc/62/22/14/1029622214.db2.gz IXOWYNCMLRWTTR-QGZVFWFLSA-N 2 2 393.622 3.640 20 0 GHADLP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2cccn3ccnc23)CC1 ZINC001142956579 1029730735 /nfs/dbraw/zinc/73/07/35/1029730735.db2.gz XFPFCMHDHFVTCV-UHFFFAOYSA-N 2 2 377.879 3.858 20 0 GHADLP Cn1nc(-c2ccccc2)cc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001143005981 1029774924 /nfs/dbraw/zinc/77/49/24/1029774924.db2.gz HEWQZJGBFPLZHY-RTBURBONSA-N 2 2 378.545 3.712 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cc(-c5ccccc5)nn4C)C[C@H]3C2)cc1 ZINC001143009774 1029779551 /nfs/dbraw/zinc/77/95/51/1029779551.db2.gz UDSKPANJPWSIHI-DHIUTWEWSA-N 2 2 386.543 3.959 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1coc(-c2ccc(Br)cc2)n1 ZINC000843361074 1029939015 /nfs/dbraw/zinc/93/90/15/1029939015.db2.gz UCMRUSGWGCPVGI-ZXFUBFMLSA-N 2 2 376.298 3.948 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1coc(-c2ccc(Br)cc2)n1 ZINC000843361074 1029939020 /nfs/dbraw/zinc/93/90/20/1029939020.db2.gz UCMRUSGWGCPVGI-ZXFUBFMLSA-N 2 2 376.298 3.948 20 0 GHADLP Clc1cc(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)ccc1OCc1ccccc1 ZINC001222181584 1029990218 /nfs/dbraw/zinc/99/02/18/1029990218.db2.gz OQYPTUJOOATWSA-UHFFFAOYSA-N 2 2 386.923 3.873 20 0 GHADLP Clc1cc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)ccc1OCc1ccccc1 ZINC001222181584 1029990219 /nfs/dbraw/zinc/99/02/19/1029990219.db2.gz OQYPTUJOOATWSA-UHFFFAOYSA-N 2 2 386.923 3.873 20 0 GHADLP Clc1cc2[nH]cc(C[N@@H+]3CCOC4(CC[NH2+]CC4)C3)c2c(Br)c1 ZINC001222186418 1029993466 /nfs/dbraw/zinc/99/34/66/1029993466.db2.gz HIHVUZIFFLKVCP-UHFFFAOYSA-N 2 2 398.732 3.538 20 0 GHADLP Clc1cc2[nH]cc(C[N@H+]3CCOC4(CC[NH2+]CC4)C3)c2c(Br)c1 ZINC001222186418 1029993469 /nfs/dbraw/zinc/99/34/69/1029993469.db2.gz HIHVUZIFFLKVCP-UHFFFAOYSA-N 2 2 398.732 3.538 20 0 GHADLP CCOC(=O)[C@@H]1CC2(C[N@@H+]1CCc1c(Cl)cccc1Cl)CC[NH2+]CC2 ZINC001222215267 1030009382 /nfs/dbraw/zinc/00/93/82/1030009382.db2.gz AYRXKMTVWOYJED-KRWDZBQOSA-N 2 2 385.335 3.543 20 0 GHADLP CCOC(=O)[C@@H]1CC2(C[N@H+]1CCc1c(Cl)cccc1Cl)CC[NH2+]CC2 ZINC001222215267 1030009391 /nfs/dbraw/zinc/00/93/91/1030009391.db2.gz AYRXKMTVWOYJED-KRWDZBQOSA-N 2 2 385.335 3.543 20 0 GHADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC001461612921 1069641079 /nfs/dbraw/zinc/64/10/79/1069641079.db2.gz IORVRDZSKBTFLV-HNNXBMFYSA-N 2 2 397.279 3.650 20 0 GHADLP Fc1ccc(I)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222315306 1030066162 /nfs/dbraw/zinc/06/61/62/1030066162.db2.gz MUYIUHIKJWOECK-MRXNPFEDSA-N 2 2 388.268 3.538 20 0 GHADLP Fc1ccc(I)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222315306 1030066169 /nfs/dbraw/zinc/06/61/69/1030066169.db2.gz MUYIUHIKJWOECK-MRXNPFEDSA-N 2 2 388.268 3.538 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)cc(OC)c1Br ZINC001222321216 1030070001 /nfs/dbraw/zinc/07/00/01/1030070001.db2.gz SATAZCCVLGKZMJ-GOSISDBHSA-N 2 2 383.330 3.574 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc(OC)c1Br ZINC001222321216 1030070013 /nfs/dbraw/zinc/07/00/13/1030070013.db2.gz SATAZCCVLGKZMJ-GOSISDBHSA-N 2 2 383.330 3.574 20 0 GHADLP c1ccc(COc2ncccc2C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222615828 1030239106 /nfs/dbraw/zinc/23/91/06/1030239106.db2.gz SWILRRLLRHNRLH-QHCPKHFHSA-N 2 2 385.511 3.850 20 0 GHADLP c1ccc(COc2ncccc2C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222615828 1030239119 /nfs/dbraw/zinc/23/91/19/1030239119.db2.gz SWILRRLLRHNRLH-QHCPKHFHSA-N 2 2 385.511 3.850 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)N3CC[NH+](CCC(C)(C)C)CC3)ccc21 ZINC001218618670 1031006331 /nfs/dbraw/zinc/00/63/31/1031006331.db2.gz YGIJNOPVOLVIDL-UHFFFAOYSA-N 2 2 383.540 3.887 20 0 GHADLP [NH3+]C1(c2cccc(C(F)(F)F)c2)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001151979920 1031066809 /nfs/dbraw/zinc/06/68/09/1031066809.db2.gz WGPQDEXSNFVFMV-UHFFFAOYSA-N 2 2 388.393 3.672 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)c1C ZINC001225639994 1031522171 /nfs/dbraw/zinc/52/21/71/1031522171.db2.gz MGTFRKJOMNLPFL-IBGZPJMESA-N 2 2 388.556 3.503 20 0 GHADLP C[C@H](CCNC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)[NH+]1CCCCC1 ZINC001226091135 1031783320 /nfs/dbraw/zinc/78/33/20/1031783320.db2.gz CGSKFPIITAWTTB-RTBURBONSA-N 2 2 389.588 3.792 20 0 GHADLP C[C@@H](CCNC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)[NH+]1CCCCC1 ZINC001226091134 1031783839 /nfs/dbraw/zinc/78/38/39/1031783839.db2.gz CGSKFPIITAWTTB-RBUKOAKNSA-N 2 2 389.588 3.792 20 0 GHADLP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001461851270 1069793654 /nfs/dbraw/zinc/79/36/54/1069793654.db2.gz LDXPIBCRWVBTEM-SFHVURJKSA-N 2 2 383.536 3.961 20 0 GHADLP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001461851270 1069793663 /nfs/dbraw/zinc/79/36/63/1069793663.db2.gz LDXPIBCRWVBTEM-SFHVURJKSA-N 2 2 383.536 3.961 20 0 GHADLP c1cc(-c2ccc([C@H]3CN4CCSC4=[NH+]3)cc2)ccc1CC[NH+]1CCOCC1 ZINC001205663151 1033518232 /nfs/dbraw/zinc/51/82/32/1033518232.db2.gz KFKQVLAPYYOLJH-JOCHJYFZSA-N 2 2 393.556 3.688 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C(=O)NCCc1ccccc1 ZINC001205812739 1033587076 /nfs/dbraw/zinc/58/70/76/1033587076.db2.gz NITRLYCIUSGENB-BPUDTRNYSA-N 2 2 391.559 3.692 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(=O)NCCc1ccccc1 ZINC001205812739 1033587090 /nfs/dbraw/zinc/58/70/90/1033587090.db2.gz NITRLYCIUSGENB-BPUDTRNYSA-N 2 2 391.559 3.692 20 0 GHADLP C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])C(c2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC001157496551 1033620943 /nfs/dbraw/zinc/62/09/43/1033620943.db2.gz XEJVDAMZJSBPKX-ZCYQVOJMSA-N 2 2 399.538 3.661 20 0 GHADLP C[N@H+]1CCN(C(=O)[C@@H]([NH3+])C(c2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC001157496551 1033620951 /nfs/dbraw/zinc/62/09/51/1033620951.db2.gz XEJVDAMZJSBPKX-ZCYQVOJMSA-N 2 2 399.538 3.661 20 0 GHADLP Cc1cc(C)c(CNC(=O)N(C)C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c[nH+]1 ZINC001230063784 1033878801 /nfs/dbraw/zinc/87/88/01/1033878801.db2.gz VUSGLISGWRSQFB-QFIPXVFZSA-N 2 2 380.536 3.895 20 0 GHADLP Cc1cc(C)c(CNC(=O)N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)c[nH+]1 ZINC001230063784 1033878821 /nfs/dbraw/zinc/87/88/21/1033878821.db2.gz VUSGLISGWRSQFB-QFIPXVFZSA-N 2 2 380.536 3.895 20 0 GHADLP COc1cc(Br)c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC001206581065 1033914350 /nfs/dbraw/zinc/91/43/50/1033914350.db2.gz HXBGUEAOGCLAES-HNNXBMFYSA-N 2 2 385.346 3.819 20 0 GHADLP COc1cc(Br)c(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC001206581065 1033914354 /nfs/dbraw/zinc/91/43/54/1033914354.db2.gz HXBGUEAOGCLAES-HNNXBMFYSA-N 2 2 385.346 3.819 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4C[C@@H]4c4ccc(Cl)cc4)C[C@H]3C2)cn1 ZINC001207187072 1034157479 /nfs/dbraw/zinc/15/74/79/1034157479.db2.gz OITNNFFUVFUCQP-XAPVIXHLSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4C[C@@H]4c4ccc(Cl)cc4)C[C@H]3C2)cn1 ZINC001207187072 1034157493 /nfs/dbraw/zinc/15/74/93/1034157493.db2.gz OITNNFFUVFUCQP-XAPVIXHLSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H]4C[C@@H]4c4ccc(Cl)cc4)C[C@H]3C2)cn1 ZINC001207187072 1034157505 /nfs/dbraw/zinc/15/75/05/1034157505.db2.gz OITNNFFUVFUCQP-XAPVIXHLSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@@H]4C[C@@H]4c4ccc(Cl)cc4)C[C@H]3C2)cn1 ZINC001207187072 1034157513 /nfs/dbraw/zinc/15/75/13/1034157513.db2.gz OITNNFFUVFUCQP-XAPVIXHLSA-N 2 2 384.955 3.631 20 0 GHADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)nc1 ZINC001158628859 1034210230 /nfs/dbraw/zinc/21/02/30/1034210230.db2.gz OYRGOBSEFAQKGA-RBUKOAKNSA-N 2 2 378.511 3.938 20 0 GHADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)nc1 ZINC001158628859 1034210244 /nfs/dbraw/zinc/21/02/44/1034210244.db2.gz OYRGOBSEFAQKGA-RBUKOAKNSA-N 2 2 378.511 3.938 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC001207319094 1034267486 /nfs/dbraw/zinc/26/74/86/1034267486.db2.gz YWIZEYDEHHZIHB-MSOLQXFVSA-N 2 2 375.513 3.633 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC001207319094 1034267496 /nfs/dbraw/zinc/26/74/96/1034267496.db2.gz YWIZEYDEHHZIHB-MSOLQXFVSA-N 2 2 375.513 3.633 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](CCc3ccccc3Br)C2)C1 ZINC001207528975 1034432912 /nfs/dbraw/zinc/43/29/12/1034432912.db2.gz SZOQLIQCIPTFNG-HXUWFJFHSA-N 2 2 395.385 3.814 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](CCc3ccccc3Br)C2)C1 ZINC001207528975 1034432913 /nfs/dbraw/zinc/43/29/13/1034432913.db2.gz SZOQLIQCIPTFNG-HXUWFJFHSA-N 2 2 395.385 3.814 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](CCc3ccccc3Br)C2)C1 ZINC001207528975 1034432914 /nfs/dbraw/zinc/43/29/14/1034432914.db2.gz SZOQLIQCIPTFNG-HXUWFJFHSA-N 2 2 395.385 3.814 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](CCc3ccccc3Br)C2)C1 ZINC001207528975 1034432916 /nfs/dbraw/zinc/43/29/16/1034432916.db2.gz SZOQLIQCIPTFNG-HXUWFJFHSA-N 2 2 395.385 3.814 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](CC[C@@H](C)CCCC(C)(C)O)CC2 ZINC001207638726 1034503107 /nfs/dbraw/zinc/50/31/07/1034503107.db2.gz FNFUZHUDWMHRTG-SFHVURJKSA-N 2 2 378.605 3.851 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](CC[C@@H](C)CCCC(C)(C)O)CC2 ZINC001207638726 1034503115 /nfs/dbraw/zinc/50/31/15/1034503115.db2.gz FNFUZHUDWMHRTG-SFHVURJKSA-N 2 2 378.605 3.851 20 0 GHADLP [NH3+]C1CCN(c2[nH+]cccc2Nc2cccnc2OCc2ccccc2)CC1 ZINC001159262129 1034509938 /nfs/dbraw/zinc/50/99/38/1034509938.db2.gz RASQZNLSAXLKIV-UHFFFAOYSA-N 2 2 375.476 3.727 20 0 GHADLP C[C@H](CCCC(C)(C)O)CC[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001207649050 1034510247 /nfs/dbraw/zinc/51/02/47/1034510247.db2.gz NTVJBZOSFWRZMP-HXUWFJFHSA-N 2 2 389.584 3.720 20 0 GHADLP CCOC(=O)COc1ccc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cc1 ZINC001207825779 1034602700 /nfs/dbraw/zinc/60/27/00/1034602700.db2.gz ZTDRTRWZSRDVRG-IBGZPJMESA-N 2 2 399.535 3.960 20 0 GHADLP CCOC(=O)COc1ccc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cc1 ZINC001207825779 1034602707 /nfs/dbraw/zinc/60/27/07/1034602707.db2.gz ZTDRTRWZSRDVRG-IBGZPJMESA-N 2 2 399.535 3.960 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1c[nH]c3cccnc13)CC2 ZINC001231490448 1034634041 /nfs/dbraw/zinc/63/40/41/1034634041.db2.gz ZGNSKEWZZCCAKL-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1c[nH]c3cccnc13)CC2 ZINC001231490448 1034634050 /nfs/dbraw/zinc/63/40/50/1034634050.db2.gz ZGNSKEWZZCCAKL-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP c1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc(C2CC[NH2+]CC2)c1 ZINC001159756576 1034733902 /nfs/dbraw/zinc/73/39/02/1034733902.db2.gz CJCMXDRGDMAFNF-UHFFFAOYSA-N 2 2 381.520 3.608 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CCc3c(F)cccc3F)CC[C@@H]21 ZINC001208119129 1034748051 /nfs/dbraw/zinc/74/80/51/1034748051.db2.gz WENSKNRPWCMBBE-FGSXEWAUSA-N 2 2 388.506 3.577 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CCc3c(F)cccc3F)CC[C@@H]21 ZINC001208119129 1034748056 /nfs/dbraw/zinc/74/80/56/1034748056.db2.gz WENSKNRPWCMBBE-FGSXEWAUSA-N 2 2 388.506 3.577 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](CCc3c(F)cccc3F)CC[C@@H]21 ZINC001208119129 1034748072 /nfs/dbraw/zinc/74/80/72/1034748072.db2.gz WENSKNRPWCMBBE-FGSXEWAUSA-N 2 2 388.506 3.577 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](CCc3c(F)cccc3F)CC[C@@H]21 ZINC001208119129 1034748089 /nfs/dbraw/zinc/74/80/89/1034748089.db2.gz WENSKNRPWCMBBE-FGSXEWAUSA-N 2 2 388.506 3.577 20 0 GHADLP Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c(C(=O)NC2CC[NH2+]CC2)c1 ZINC001160366222 1034957557 /nfs/dbraw/zinc/95/75/57/1034957557.db2.gz BQQOYVSCQLTPPP-UHFFFAOYSA-N 2 2 393.535 3.606 20 0 GHADLP c1ccc(C2(C[NH+]3CCN(c4cc[nH+]c(N5CCCC5)n4)CC3)CCCC2)cc1 ZINC001208776967 1035016259 /nfs/dbraw/zinc/01/62/59/1035016259.db2.gz CYSPIELSOUUMOV-UHFFFAOYSA-N 2 2 391.563 3.711 20 0 GHADLP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC001160634659 1035021240 /nfs/dbraw/zinc/02/12/40/1035021240.db2.gz IZGCYBPANZIMHM-OVKIHRCZSA-N 2 2 397.526 3.866 20 0 GHADLP Cc1cc(C[N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)cc(C)n1 ZINC001231999070 1035033901 /nfs/dbraw/zinc/03/39/01/1035033901.db2.gz KVXGWHHCYPFMSH-OAQYLSRUSA-N 2 2 386.490 3.827 20 0 GHADLP Cc1cc(C[N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)cc(C)n1 ZINC001231999070 1035033909 /nfs/dbraw/zinc/03/39/09/1035033909.db2.gz KVXGWHHCYPFMSH-OAQYLSRUSA-N 2 2 386.490 3.827 20 0 GHADLP Cc1cc(C[NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc(C)n1 ZINC001231999070 1035033914 /nfs/dbraw/zinc/03/39/14/1035033914.db2.gz KVXGWHHCYPFMSH-OAQYLSRUSA-N 2 2 386.490 3.827 20 0 GHADLP Cc1cc(C[NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc(C)n1 ZINC001231999070 1035033922 /nfs/dbraw/zinc/03/39/22/1035033922.db2.gz KVXGWHHCYPFMSH-OAQYLSRUSA-N 2 2 386.490 3.827 20 0 GHADLP FC1(F)CN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@H]1[NH+]1CCCC1 ZINC001208948263 1035119295 /nfs/dbraw/zinc/11/92/95/1035119295.db2.gz PFOXYGHJAXFXMQ-LEWJYISDSA-N 2 2 377.523 3.704 20 0 GHADLP FC1(F)CN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@H]1[NH+]1CCCC1 ZINC001208948263 1035119300 /nfs/dbraw/zinc/11/93/00/1035119300.db2.gz PFOXYGHJAXFXMQ-LEWJYISDSA-N 2 2 377.523 3.704 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccnc4c(F)cccc24)CC3)cn1 ZINC001232205857 1035161121 /nfs/dbraw/zinc/16/11/21/1035161121.db2.gz HKWWBBOHSUTIEJ-UHFFFAOYSA-N 2 2 393.510 3.738 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccnc4c(F)cccc24)CC3)cn1 ZINC001232205857 1035161123 /nfs/dbraw/zinc/16/11/23/1035161123.db2.gz HKWWBBOHSUTIEJ-UHFFFAOYSA-N 2 2 393.510 3.738 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1cc(F)c(F)cc1F)[C@@H]2C ZINC001209250190 1035221354 /nfs/dbraw/zinc/22/13/54/1035221354.db2.gz NTCTURNBPBCXLT-CQSZACIVSA-N 2 2 380.458 3.760 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1cc(F)c(F)cc1F)[C@@H]2C ZINC001209250190 1035221358 /nfs/dbraw/zinc/22/13/58/1035221358.db2.gz NTCTURNBPBCXLT-CQSZACIVSA-N 2 2 380.458 3.760 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1cc(F)c(F)cc1F)[C@@H]2C ZINC001209250190 1035221361 /nfs/dbraw/zinc/22/13/61/1035221361.db2.gz NTCTURNBPBCXLT-CQSZACIVSA-N 2 2 380.458 3.760 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1cc(F)c(F)cc1F)[C@@H]2C ZINC001209250190 1035221366 /nfs/dbraw/zinc/22/13/66/1035221366.db2.gz NTCTURNBPBCXLT-CQSZACIVSA-N 2 2 380.458 3.760 20 0 GHADLP C[C@@H]1C[C@@H](C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)C[C@H](C)O1 ZINC001209380412 1035263414 /nfs/dbraw/zinc/26/34/14/1035263414.db2.gz MENLUVWHGQSMEZ-REPLKXPHSA-N 2 2 383.536 3.868 20 0 GHADLP C[C@@H]1C[C@@H](C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)C[C@H](C)O1 ZINC001209380412 1035263419 /nfs/dbraw/zinc/26/34/19/1035263419.db2.gz MENLUVWHGQSMEZ-REPLKXPHSA-N 2 2 383.536 3.868 20 0 GHADLP C[C@@H]1C[C@@H](C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)C[C@H](C)O1 ZINC001209380412 1035263423 /nfs/dbraw/zinc/26/34/23/1035263423.db2.gz MENLUVWHGQSMEZ-REPLKXPHSA-N 2 2 383.536 3.868 20 0 GHADLP C[C@@H]1C[C@@H](C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)C[C@H](C)O1 ZINC001209380412 1035263427 /nfs/dbraw/zinc/26/34/27/1035263427.db2.gz MENLUVWHGQSMEZ-REPLKXPHSA-N 2 2 383.536 3.868 20 0 GHADLP Brc1ccc2c(c1)C=CN1C=C([NH2+]CCCn3cc[nH+]c3)C=CN21 ZINC001161688102 1035285056 /nfs/dbraw/zinc/28/50/56/1035285056.db2.gz JKLPXPYEMFGPCF-UHFFFAOYSA-N 2 2 384.281 3.702 20 0 GHADLP C[NH+]1CCN(c2cccc(N[C@@H](CC3CCOCC3)c3cccc(F)c3)[nH+]2)CC1 ZINC001161837973 1035312471 /nfs/dbraw/zinc/31/24/71/1035312471.db2.gz PUXFMECMVLEVCZ-NRFANRHFSA-N 2 2 398.526 3.942 20 0 GHADLP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(N5CCCC5)nc4)CC[C@@H]3C2)cc1 ZINC001209626706 1035335942 /nfs/dbraw/zinc/33/59/42/1035335942.db2.gz UBZWYRANMFWABI-DHIUTWEWSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(N5CCCC5)nc4)CC[C@@H]3C2)cc1 ZINC001209626706 1035335948 /nfs/dbraw/zinc/33/59/48/1035335948.db2.gz UBZWYRANMFWABI-DHIUTWEWSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(N5CCCC5)nc4)CC[C@@H]3C2)cc1 ZINC001209626706 1035335954 /nfs/dbraw/zinc/33/59/54/1035335954.db2.gz UBZWYRANMFWABI-DHIUTWEWSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(N5CCCC5)nc4)CC[C@@H]3C2)cc1 ZINC001209626706 1035335961 /nfs/dbraw/zinc/33/59/61/1035335961.db2.gz UBZWYRANMFWABI-DHIUTWEWSA-N 2 2 376.548 3.636 20 0 GHADLP O=C(c1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1)N1CCCC1 ZINC001209673330 1035351769 /nfs/dbraw/zinc/35/17/69/1035351769.db2.gz WCCHWGIPRBTNLF-UHFFFAOYSA-N 2 2 381.564 3.763 20 0 GHADLP O=C(c1ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1)N1CCCC1 ZINC001209673330 1035351776 /nfs/dbraw/zinc/35/17/76/1035351776.db2.gz WCCHWGIPRBTNLF-UHFFFAOYSA-N 2 2 381.564 3.763 20 0 GHADLP C[NH+]1CCN(C(=O)c2cccc(-c3cc(F)c(C[NH+]4CCCC4)c(F)c3)c2)CC1 ZINC001241879670 1035738463 /nfs/dbraw/zinc/73/84/63/1035738463.db2.gz MBVCQUPQSHTQQL-UHFFFAOYSA-N 2 2 399.485 3.615 20 0 GHADLP Clc1ccc(-c2cccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)n2)cc1 ZINC001248519971 1035929519 /nfs/dbraw/zinc/92/95/19/1035929519.db2.gz CDIMCQPTIRDXNG-UHFFFAOYSA-N 2 2 384.955 3.615 20 0 GHADLP Cn1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c2c1ccnc2Cl ZINC001248837930 1036196171 /nfs/dbraw/zinc/19/61/71/1036196171.db2.gz XXWGIDNCPOXCKA-QZTJIDSGSA-N 2 2 380.923 3.791 20 0 GHADLP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)c(F)cc1F)CC2 ZINC001278372263 1036304514 /nfs/dbraw/zinc/30/45/14/1036304514.db2.gz HXXPFAWAWQGIAZ-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)c(F)cc1F)CC2 ZINC001278372263 1036304540 /nfs/dbraw/zinc/30/45/40/1036304540.db2.gz HXXPFAWAWQGIAZ-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP O[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245981081 1037106033 /nfs/dbraw/zinc/10/60/33/1037106033.db2.gz FNFCBZOKVLAYQT-APWZRJJASA-N 2 2 377.315 3.940 20 0 GHADLP COC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246347946 1037308668 /nfs/dbraw/zinc/30/86/68/1037308668.db2.gz DCXDKOZMEZSBDC-PBHICJAKSA-N 2 2 385.335 3.589 20 0 GHADLP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC)cc2Br)CC[NH2+]1 ZINC001246357135 1037315173 /nfs/dbraw/zinc/31/51/73/1037315173.db2.gz WLWYHPDNWTVJEJ-JKSUJKDBSA-N 2 2 383.330 3.636 20 0 GHADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC)cc2Br)CC[NH2+]1 ZINC001246357134 1037315906 /nfs/dbraw/zinc/31/59/06/1037315906.db2.gz WLWYHPDNWTVJEJ-HZPDHXFCSA-N 2 2 383.330 3.636 20 0 GHADLP FC(F)(F)c1ccccc1CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246389975 1037349099 /nfs/dbraw/zinc/34/90/99/1037349099.db2.gz RJEMQDTWFHXUHD-PIIMJCKOSA-N 3 2 381.486 3.633 20 0 GHADLP CCOC(=O)[C@H](CSCc1ccccc1)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246441402 1037403737 /nfs/dbraw/zinc/40/37/37/1037403737.db2.gz DJJVWJHDOXZRMW-FQEVSTJZSA-N 2 2 390.593 3.754 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)CCO2 ZINC001246500126 1037443796 /nfs/dbraw/zinc/44/37/96/1037443796.db2.gz OVPVYKGFBPQBQD-UIFIKXQLSA-N 2 2 398.478 3.827 20 0 GHADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)CSc2ccc(Cl)cc2)cc1 ZINC001246526419 1037458732 /nfs/dbraw/zinc/45/87/32/1037458732.db2.gz QCWYPCJARSEOTD-SCLBCKFNSA-N 2 2 378.925 3.897 20 0 GHADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC001246527745 1037460071 /nfs/dbraw/zinc/46/00/71/1037460071.db2.gz VBPZHIFJFQLAPP-QFBILLFUSA-N 2 2 393.314 3.927 20 0 GHADLP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)C[C@H](CC)[NH2+]1 ZINC001246751542 1037590879 /nfs/dbraw/zinc/59/08/79/1037590879.db2.gz HUXPAKOJTIQZNX-NZGUISNBSA-N 2 2 375.582 3.876 20 0 GHADLP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)C[C@H](CC)[NH2+]1 ZINC001246751542 1037590887 /nfs/dbraw/zinc/59/08/87/1037590887.db2.gz HUXPAKOJTIQZNX-NZGUISNBSA-N 2 2 375.582 3.876 20 0 GHADLP C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H](CC(=O)NC4CCC4)c4ccccc43)CC2)C[NH2+]1 ZINC001246757803 1037598150 /nfs/dbraw/zinc/59/81/50/1037598150.db2.gz RWZFYDNGGOEBBL-DYXWJJEUSA-N 2 2 395.591 3.707 20 0 GHADLP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC001462198116 1070075117 /nfs/dbraw/zinc/07/51/17/1070075117.db2.gz FDHZOMONSRLPRM-WOJBJXKFSA-N 2 2 382.508 3.568 20 0 GHADLP Clc1ccccc1C[NH+]1CCN([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246783501 1037623944 /nfs/dbraw/zinc/62/39/44/1037623944.db2.gz ONIVAZVBXLYCID-FCHUYYIVSA-N 2 2 383.967 3.821 20 0 GHADLP Clc1ccccc1CN1CC[NH+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246783501 1037623951 /nfs/dbraw/zinc/62/39/51/1037623951.db2.gz ONIVAZVBXLYCID-FCHUYYIVSA-N 2 2 383.967 3.821 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)CC[NH2+]1 ZINC001246852166 1037676607 /nfs/dbraw/zinc/67/66/07/1037676607.db2.gz NNTDHFWYKPZHCG-AZUAARDMSA-N 2 2 388.918 3.798 20 0 GHADLP O=C1C[C@H]([N@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC001246941338 1037747244 /nfs/dbraw/zinc/74/72/44/1037747244.db2.gz ZRZILYQASMYOEZ-DHIUTWEWSA-N 2 2 395.522 3.571 20 0 GHADLP O=C1C[C@H]([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC001246941338 1037747257 /nfs/dbraw/zinc/74/72/57/1037747257.db2.gz ZRZILYQASMYOEZ-DHIUTWEWSA-N 2 2 395.522 3.571 20 0 GHADLP COc1cc(OC2CC[NH+]([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)ccn1 ZINC001246979707 1037802919 /nfs/dbraw/zinc/80/29/19/1037802919.db2.gz ZYVWTNKINPFUFA-GCJKJVERSA-N 2 2 399.510 3.874 20 0 GHADLP Clc1ccccc1N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001247006346 1037828377 /nfs/dbraw/zinc/82/83/77/1037828377.db2.gz IRSFFGVMNDUJKE-CGXNFDGLSA-N 2 2 381.951 3.966 20 0 GHADLP Clc1ccccc1N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001247006346 1037828399 /nfs/dbraw/zinc/82/83/99/1037828399.db2.gz IRSFFGVMNDUJKE-CGXNFDGLSA-N 2 2 381.951 3.966 20 0 GHADLP Clc1ccc(-c2noc([C@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)cc1Cl ZINC001247127963 1037937071 /nfs/dbraw/zinc/93/70/71/1037937071.db2.gz TYWDONCZSVCPDY-GFCCVEGCSA-N 2 2 390.274 3.659 20 0 GHADLP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(C)n1 ZINC001232311710 1038070632 /nfs/dbraw/zinc/07/06/32/1038070632.db2.gz MFIZLIVPJAATGV-PMVMPFDFSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(C)n1 ZINC001232311710 1038070654 /nfs/dbraw/zinc/07/06/54/1038070654.db2.gz MFIZLIVPJAATGV-PMVMPFDFSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(C)n1 ZINC001232311710 1038070679 /nfs/dbraw/zinc/07/06/79/1038070679.db2.gz MFIZLIVPJAATGV-PMVMPFDFSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(C)n1 ZINC001232311710 1038070701 /nfs/dbraw/zinc/07/07/01/1038070701.db2.gz MFIZLIVPJAATGV-PMVMPFDFSA-N 2 2 394.563 3.916 20 0 GHADLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)Cc1ccc(Cl)cc1Cl ZINC001232360294 1038140678 /nfs/dbraw/zinc/14/06/78/1038140678.db2.gz DQYRFVOLHPXMNU-UHFFFAOYSA-N 2 2 379.335 3.772 20 0 GHADLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)Cc1ccc(Cl)cc1Cl ZINC001232360294 1038140684 /nfs/dbraw/zinc/14/06/84/1038140684.db2.gz DQYRFVOLHPXMNU-UHFFFAOYSA-N 2 2 379.335 3.772 20 0 GHADLP Brc1ccc2c(C3C[NH+](Cc4cc5ccoc5cn4)C3)[nH+]cn2c1 ZINC001232554070 1038321551 /nfs/dbraw/zinc/32/15/51/1038321551.db2.gz IOCSUNWISCHZFV-UHFFFAOYSA-N 2 2 383.249 3.837 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3cc(Cl)ccc3Br)no2)cc1 ZINC001247701910 1038340468 /nfs/dbraw/zinc/34/04/68/1038340468.db2.gz STNZZBSJGQKPRV-CQSZACIVSA-N 2 2 393.672 3.778 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001252019478 1038815350 /nfs/dbraw/zinc/81/53/50/1038815350.db2.gz YGESKGIDYBJSOO-ICSRJNTNSA-N 2 2 394.991 3.549 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001252019478 1038815376 /nfs/dbraw/zinc/81/53/76/1038815376.db2.gz YGESKGIDYBJSOO-ICSRJNTNSA-N 2 2 394.991 3.549 20 0 GHADLP Fc1ccc2c(c1)[nH]nc2C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001233120346 1038906548 /nfs/dbraw/zinc/90/65/48/1038906548.db2.gz AVDUBWNMKPACLL-UHFFFAOYSA-N 2 2 379.483 3.585 20 0 GHADLP Fc1ccc2c(c1)[nH]nc2C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001233120346 1038906549 /nfs/dbraw/zinc/90/65/49/1038906549.db2.gz AVDUBWNMKPACLL-UHFFFAOYSA-N 2 2 379.483 3.585 20 0 GHADLP Oc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OCC1CC1 ZINC001233228906 1038989211 /nfs/dbraw/zinc/98/92/11/1038989211.db2.gz ZVWXSZPGOSQSCF-VXKWHMMOSA-N 2 2 378.516 3.745 20 0 GHADLP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC001233294079 1039078957 /nfs/dbraw/zinc/07/89/57/1039078957.db2.gz UQHPRCXUNVFCOI-UHFFFAOYSA-N 2 2 377.488 3.742 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC001233294079 1039078972 /nfs/dbraw/zinc/07/89/72/1039078972.db2.gz UQHPRCXUNVFCOI-UHFFFAOYSA-N 2 2 377.488 3.742 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccc(-c3nccs3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948393 1039291913 /nfs/dbraw/zinc/29/19/13/1039291913.db2.gz MUQMSQNJGGTJCN-QFIPXVFZSA-N 2 2 379.529 3.537 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccc(-c3nccs3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948393 1039291929 /nfs/dbraw/zinc/29/19/29/1039291929.db2.gz MUQMSQNJGGTJCN-QFIPXVFZSA-N 2 2 379.529 3.537 20 0 GHADLP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001253493905 1039675587 /nfs/dbraw/zinc/67/55/87/1039675587.db2.gz KMPAHXZJANCZMU-NRFANRHFSA-N 2 2 375.944 3.805 20 0 GHADLP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001253493905 1039675590 /nfs/dbraw/zinc/67/55/90/1039675590.db2.gz KMPAHXZJANCZMU-NRFANRHFSA-N 2 2 375.944 3.805 20 0 GHADLP CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234041814 1039781318 /nfs/dbraw/zinc/78/13/18/1039781318.db2.gz GLZIXXWFRUTJNT-UHFFFAOYSA-N 2 2 393.487 3.836 20 0 GHADLP CCOC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234041814 1039781339 /nfs/dbraw/zinc/78/13/39/1039781339.db2.gz GLZIXXWFRUTJNT-UHFFFAOYSA-N 2 2 393.487 3.836 20 0 GHADLP O=C(N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC001234398574 1040002836 /nfs/dbraw/zinc/00/28/36/1040002836.db2.gz WIDLRKKLQUMFTJ-NRFANRHFSA-N 2 2 395.551 3.674 20 0 GHADLP O=C(N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC001234398574 1040002849 /nfs/dbraw/zinc/00/28/49/1040002849.db2.gz WIDLRKKLQUMFTJ-NRFANRHFSA-N 2 2 395.551 3.674 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)[nH+]c1 ZINC001254311300 1040162672 /nfs/dbraw/zinc/16/26/72/1040162672.db2.gz CDQKNZSXKHXOTH-SFHVURJKSA-N 2 2 388.556 3.738 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[C@@H]([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)C2)CC1 ZINC001254740503 1040499368 /nfs/dbraw/zinc/49/93/68/1040499368.db2.gz NTMAOHIOBOKRQL-MSOLQXFVSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[C@@H]([NH2+][C@H]3CC[N@H+](C4CCC4)C3)C2)CC1 ZINC001254740503 1040499374 /nfs/dbraw/zinc/49/93/74/1040499374.db2.gz NTMAOHIOBOKRQL-MSOLQXFVSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC1 ZINC001235031328 1040523343 /nfs/dbraw/zinc/52/33/43/1040523343.db2.gz QSCFVUVAGGHNTJ-UHFFFAOYSA-N 2 2 377.330 3.551 20 0 GHADLP COc1cc(C[NH+]2CCC3(CC2)C[NH2+]Cc2ccccc23)ccc1-n1cc[nH+]c1 ZINC001235089989 1040577737 /nfs/dbraw/zinc/57/77/37/1040577737.db2.gz HYKALHMLZNZCMS-UHFFFAOYSA-N 3 2 388.515 3.518 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([NH2+][C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254839561 1040586006 /nfs/dbraw/zinc/58/60/06/1040586006.db2.gz SQJKRPXCZLAQGI-DXIQSLLYSA-N 2 2 377.573 3.630 20 0 GHADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(COc3ccccc3)cc1)C2 ZINC001235232430 1040713007 /nfs/dbraw/zinc/71/30/07/1040713007.db2.gz IPFLPJKPNRJYDV-ICSRJNTNSA-N 2 2 376.422 3.849 20 0 GHADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc(COc3ccccc3)cc1)C2 ZINC001235232430 1040713022 /nfs/dbraw/zinc/71/30/22/1040713022.db2.gz IPFLPJKPNRJYDV-ICSRJNTNSA-N 2 2 376.422 3.849 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)C2)cc1 ZINC001235365364 1040855277 /nfs/dbraw/zinc/85/52/77/1040855277.db2.gz NYCBWAFWIRKCSK-DMDYGQEQSA-N 3 2 389.587 3.762 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)C2)cc1 ZINC001235365364 1040855291 /nfs/dbraw/zinc/85/52/91/1040855291.db2.gz NYCBWAFWIRKCSK-DMDYGQEQSA-N 3 2 389.587 3.762 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)C2)cc1 ZINC001235365364 1040855316 /nfs/dbraw/zinc/85/53/16/1040855316.db2.gz NYCBWAFWIRKCSK-DMDYGQEQSA-N 3 2 389.587 3.762 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)C2)cc1 ZINC001235365364 1040855342 /nfs/dbraw/zinc/85/53/42/1040855342.db2.gz NYCBWAFWIRKCSK-DMDYGQEQSA-N 3 2 389.587 3.762 20 0 GHADLP Clc1cc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc2c1OCO2 ZINC001235365548 1040856093 /nfs/dbraw/zinc/85/60/93/1040856093.db2.gz OCNNDEOWEVPGKA-AVRDEDQJSA-N 2 2 384.907 3.822 20 0 GHADLP Clc1cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc2c1OCO2 ZINC001235365548 1040856113 /nfs/dbraw/zinc/85/61/13/1040856113.db2.gz OCNNDEOWEVPGKA-AVRDEDQJSA-N 2 2 384.907 3.822 20 0 GHADLP FC1(F)CN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC[C@H]1[NH+]1CCCC1 ZINC001255408841 1040996597 /nfs/dbraw/zinc/99/65/97/1040996597.db2.gz CRWGXYJSQKKYDG-NHCUHLMSSA-N 2 2 377.523 3.847 20 0 GHADLP FC1(F)CN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@H]1[NH+]1CCCC1 ZINC001255408841 1040996602 /nfs/dbraw/zinc/99/66/02/1040996602.db2.gz CRWGXYJSQKKYDG-NHCUHLMSSA-N 2 2 377.523 3.847 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCN4CCc5ccccc5[C@H]4C3)CC2)cc1 ZINC001255409533 1040997404 /nfs/dbraw/zinc/99/74/04/1040997404.db2.gz ZTIDESJOJYQOFW-UKILVPOCSA-N 2 2 375.560 3.956 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCN4CCc5ccccc5[C@H]4C3)CC2)cc1 ZINC001255409533 1040997422 /nfs/dbraw/zinc/99/74/22/1040997422.db2.gz ZTIDESJOJYQOFW-UKILVPOCSA-N 2 2 375.560 3.956 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CCN4CCc5ccccc5[C@H]4C3)CC2)cc1 ZINC001255409533 1040997423 /nfs/dbraw/zinc/99/74/23/1040997423.db2.gz ZTIDESJOJYQOFW-UKILVPOCSA-N 2 2 375.560 3.956 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CCN4CCc5ccccc5[C@H]4C3)CC2)cc1 ZINC001255409533 1040997424 /nfs/dbraw/zinc/99/74/24/1040997424.db2.gz ZTIDESJOJYQOFW-UKILVPOCSA-N 2 2 375.560 3.956 20 0 GHADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@H]3[C@H](C)C[NH2+]CC3(F)F)C[C@@H]21 ZINC001235659198 1041108911 /nfs/dbraw/zinc/10/89/11/1041108911.db2.gz CXVXJEUNYACOAU-TWUVWWFLSA-N 3 2 377.523 3.588 20 0 GHADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@H]3[C@H](C)C[NH2+]CC3(F)F)C[C@@H]21 ZINC001235659198 1041108919 /nfs/dbraw/zinc/10/89/19/1041108919.db2.gz CXVXJEUNYACOAU-TWUVWWFLSA-N 3 2 377.523 3.588 20 0 GHADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@H]3[C@H](C)C[NH2+]CC3(F)F)C[C@@H]21 ZINC001235659198 1041108949 /nfs/dbraw/zinc/10/89/49/1041108949.db2.gz CXVXJEUNYACOAU-TWUVWWFLSA-N 3 2 377.523 3.588 20 0 GHADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@H]3[C@H](C)C[NH2+]CC3(F)F)C[C@@H]21 ZINC001235659198 1041108966 /nfs/dbraw/zinc/10/89/66/1041108966.db2.gz CXVXJEUNYACOAU-TWUVWWFLSA-N 3 2 377.523 3.588 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC001235691269 1041163357 /nfs/dbraw/zinc/16/33/57/1041163357.db2.gz OCWMNJURSLTEDA-BBRMVZONSA-N 2 2 392.321 3.602 20 0 GHADLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(OCc4ccccc4)c(F)c3)CC2)CC1 ZINC001235768101 1041259896 /nfs/dbraw/zinc/25/98/96/1041259896.db2.gz FWHSTHUDPHMDHT-UHFFFAOYSA-N 2 2 397.538 3.617 20 0 GHADLP Cc1ccc(SC[C@H](C)[NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC001255767094 1041282404 /nfs/dbraw/zinc/28/24/04/1041282404.db2.gz CTYDHKGAHXWWQZ-IBGZPJMESA-N 2 2 397.592 3.688 20 0 GHADLP COc1cc(CN2CC[NH2+]C[C@@H]2c2ccc(Cl)cc2)ccc1-n1cc[nH+]c1 ZINC001235813064 1041327025 /nfs/dbraw/zinc/32/70/25/1041327025.db2.gz BFFTYIVXZUFLIS-HXUWFJFHSA-N 2 2 382.895 3.681 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@@H](C)Cc3ccccc3F)CC2)cc1 ZINC001255840793 1041333780 /nfs/dbraw/zinc/33/37/80/1041333780.db2.gz IZKBYBQAPZVNPR-KRWDZBQOSA-N 2 2 384.495 3.798 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925189 1041432938 /nfs/dbraw/zinc/43/29/38/1041432938.db2.gz DNRDBFZRHXHEJV-LBPRGKRZSA-N 2 2 384.307 3.965 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925189 1041432950 /nfs/dbraw/zinc/43/29/50/1041432950.db2.gz DNRDBFZRHXHEJV-LBPRGKRZSA-N 2 2 384.307 3.965 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1CN(Cc1ccccc1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001235935065 1041437844 /nfs/dbraw/zinc/43/78/44/1041437844.db2.gz IEDWMEUJYFZGKN-FYYLOGMGSA-N 2 2 378.495 3.883 20 0 GHADLP COCC[N@H+](Cc1cc(Cl)c(OC(C)C)c(Cl)c1)C1CC[NH2+]CC1 ZINC001235941743 1041448250 /nfs/dbraw/zinc/44/82/50/1041448250.db2.gz AAHMXQFOHFAWIZ-UHFFFAOYSA-N 2 2 375.340 3.981 20 0 GHADLP COCC[N@@H+](Cc1cc(Cl)c(OC(C)C)c(Cl)c1)C1CC[NH2+]CC1 ZINC001235941743 1041448265 /nfs/dbraw/zinc/44/82/65/1041448265.db2.gz AAHMXQFOHFAWIZ-UHFFFAOYSA-N 2 2 375.340 3.981 20 0 GHADLP Cc1cc(Br)sc1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236009770 1041501971 /nfs/dbraw/zinc/50/19/71/1041501971.db2.gz HLFBIBCJGIWAMY-QAPCUYQASA-N 2 2 377.351 3.792 20 0 GHADLP Cc1cc(Br)sc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236009770 1041501979 /nfs/dbraw/zinc/50/19/79/1041501979.db2.gz HLFBIBCJGIWAMY-QAPCUYQASA-N 2 2 377.351 3.792 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cc(C(=O)N4CCCCC4)ccc3F)cc2)C1 ZINC001236013681 1041507787 /nfs/dbraw/zinc/50/77/87/1041507787.db2.gz MXGHTMVJEUGVEG-HXUWFJFHSA-N 2 2 381.495 3.652 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cc(C(=O)N4CCCCC4)ccc3F)cc2)C1 ZINC001236013681 1041507791 /nfs/dbraw/zinc/50/77/91/1041507791.db2.gz MXGHTMVJEUGVEG-HXUWFJFHSA-N 2 2 381.495 3.652 20 0 GHADLP O=C(CC1CCC2(CC1)CC[NH+](C1CC[NH+](C3CC3)CC1)CC2)N1CC=CC1 ZINC001256078015 1041511225 /nfs/dbraw/zinc/51/12/25/1041511225.db2.gz WSYBQIUQFVIOTH-UHFFFAOYSA-N 2 2 385.596 3.674 20 0 GHADLP COc1ccc(C[N@H+](Cc2ccc3n2CC[NH2+]C3)Cc2ccccc2)c(OC)c1 ZINC001236072532 1041522838 /nfs/dbraw/zinc/52/28/38/1041522838.db2.gz ILHQLMUMWWRJOE-UHFFFAOYSA-N 2 2 391.515 3.811 20 0 GHADLP COc1ccc(C[N@@H+](Cc2ccc3n2CC[NH2+]C3)Cc2ccccc2)c(OC)c1 ZINC001236072532 1041522848 /nfs/dbraw/zinc/52/28/48/1041522848.db2.gz ILHQLMUMWWRJOE-UHFFFAOYSA-N 2 2 391.515 3.811 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CCC[C@H](c4ccccc4)C3)C2)C1 ZINC001256114964 1041540579 /nfs/dbraw/zinc/54/05/79/1041540579.db2.gz LSKKDNNEUCQPEZ-KMDXXIMOSA-N 2 2 386.580 3.774 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CCC[C@H](c4ccccc4)C3)C2)C1 ZINC001256114964 1041540587 /nfs/dbraw/zinc/54/05/87/1041540587.db2.gz LSKKDNNEUCQPEZ-KMDXXIMOSA-N 2 2 386.580 3.774 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H]3CCC[C@H](c4ccccc4)C3)C2)C1 ZINC001256114964 1041540609 /nfs/dbraw/zinc/54/06/09/1041540609.db2.gz LSKKDNNEUCQPEZ-KMDXXIMOSA-N 2 2 386.580 3.774 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@H]3CCC[C@H](c4ccccc4)C3)C2)C1 ZINC001256114964 1041540622 /nfs/dbraw/zinc/54/06/22/1041540622.db2.gz LSKKDNNEUCQPEZ-KMDXXIMOSA-N 2 2 386.580 3.774 20 0 GHADLP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3cccc(OC)c3)CC2)c1 ZINC001256170635 1041617180 /nfs/dbraw/zinc/61/71/80/1041617180.db2.gz YKBOGIXPZRFNSA-SFHVURJKSA-N 2 2 396.531 3.667 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236274302 1041650216 /nfs/dbraw/zinc/65/02/16/1041650216.db2.gz NDJNXDIPFYYSBW-PKTZIBPZSA-N 2 2 378.516 3.991 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236274302 1041650223 /nfs/dbraw/zinc/65/02/23/1041650223.db2.gz NDJNXDIPFYYSBW-PKTZIBPZSA-N 2 2 378.516 3.991 20 0 GHADLP CCOC(=O)[C@H]1CC[C@H](C[N@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CC1 ZINC001236389661 1041695498 /nfs/dbraw/zinc/69/54/98/1041695498.db2.gz BWOCUSFKDDIKQZ-CUWPLCDZSA-N 2 2 376.516 3.749 20 0 GHADLP CCOC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CC1 ZINC001236389661 1041695502 /nfs/dbraw/zinc/69/55/02/1041695502.db2.gz BWOCUSFKDDIKQZ-CUWPLCDZSA-N 2 2 376.516 3.749 20 0 GHADLP COC(=O)c1cccc(C[N@H+](Cc2cc(F)cc3cc[nH]c32)C2CC[NH2+]CC2)c1 ZINC001236466650 1041728644 /nfs/dbraw/zinc/72/86/44/1041728644.db2.gz GFEHAXPEDJAOGL-UHFFFAOYSA-N 2 2 395.478 3.848 20 0 GHADLP COC(=O)c1cccc(C[N@@H+](Cc2cc(F)cc3cc[nH]c32)C2CC[NH2+]CC2)c1 ZINC001236466650 1041728649 /nfs/dbraw/zinc/72/86/49/1041728649.db2.gz GFEHAXPEDJAOGL-UHFFFAOYSA-N 2 2 395.478 3.848 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256457921 1041740706 /nfs/dbraw/zinc/74/07/06/1041740706.db2.gz RSFCCGCSWQTCTM-MJGOQNOKSA-N 2 2 388.556 3.676 20 0 GHADLP CCOC(=O)c1ccc(C[N@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236503833 1041743528 /nfs/dbraw/zinc/74/35/28/1041743528.db2.gz DIGYPLAVLVJSAE-UHFFFAOYSA-N 2 2 388.458 3.896 20 0 GHADLP CCOC(=O)c1ccc(C[N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236503833 1041743530 /nfs/dbraw/zinc/74/35/30/1041743530.db2.gz DIGYPLAVLVJSAE-UHFFFAOYSA-N 2 2 388.458 3.896 20 0 GHADLP Cc1cc(F)ccc1C[N@H+](Cc1cc(Br)c[nH]1)C1CC[NH2+]CC1 ZINC001236522543 1041752659 /nfs/dbraw/zinc/75/26/59/1041752659.db2.gz YWBXVGCWCQERGK-UHFFFAOYSA-N 2 2 380.305 3.979 20 0 GHADLP Cc1cc(F)ccc1C[N@@H+](Cc1cc(Br)c[nH]1)C1CC[NH2+]CC1 ZINC001236522543 1041752663 /nfs/dbraw/zinc/75/26/63/1041752663.db2.gz YWBXVGCWCQERGK-UHFFFAOYSA-N 2 2 380.305 3.979 20 0 GHADLP C[NH+]1CC2(C1)CC[NH+](Cc1cccc(C(F)(F)F)c1Br)CC2 ZINC001236735716 1041865952 /nfs/dbraw/zinc/86/59/52/1041865952.db2.gz NNYRYXZHJJAQNB-UHFFFAOYSA-N 2 2 377.248 3.996 20 0 GHADLP COc1ccc2nc(C[N@H+](Cc3ccc(F)cc3)[C@H]3CC[C@H]([NH3+])CC3)[nH]c2c1 ZINC001236754675 1041873948 /nfs/dbraw/zinc/87/39/48/1041873948.db2.gz IOMFMQCURMHTTF-IYARVYRRSA-N 2 2 382.483 3.983 20 0 GHADLP COc1ccc2nc(C[N@@H+](Cc3ccc(F)cc3)[C@H]3CC[C@H]([NH3+])CC3)[nH]c2c1 ZINC001236754675 1041873955 /nfs/dbraw/zinc/87/39/55/1041873955.db2.gz IOMFMQCURMHTTF-IYARVYRRSA-N 2 2 382.483 3.983 20 0 GHADLP Clc1cc(CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)ccc1-n1cc[nH+]c1 ZINC001236914731 1041955593 /nfs/dbraw/zinc/95/55/93/1041955593.db2.gz RRNNLGWKDWMWTI-PMACEKPBSA-N 2 2 378.907 3.984 20 0 GHADLP Clc1cc(CN2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)ccc1-n1cc[nH+]c1 ZINC001236914731 1041955596 /nfs/dbraw/zinc/95/55/96/1041955596.db2.gz RRNNLGWKDWMWTI-PMACEKPBSA-N 2 2 378.907 3.984 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001236916182 1041956599 /nfs/dbraw/zinc/95/65/99/1041956599.db2.gz BBCPIPPHWCHOSZ-CALCHBBNSA-N 2 2 399.951 3.546 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001236916182 1041956601 /nfs/dbraw/zinc/95/66/01/1041956601.db2.gz BBCPIPPHWCHOSZ-CALCHBBNSA-N 2 2 399.951 3.546 20 0 GHADLP C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236918882 1041958157 /nfs/dbraw/zinc/95/81/57/1041958157.db2.gz YTWSSRCZIKRCCS-UHFFFAOYSA-N 2 2 378.904 3.872 20 0 GHADLP C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236918882 1041958159 /nfs/dbraw/zinc/95/81/59/1041958159.db2.gz YTWSSRCZIKRCCS-UHFFFAOYSA-N 2 2 378.904 3.872 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236922068 1041960073 /nfs/dbraw/zinc/96/00/73/1041960073.db2.gz MXWPHKRVONYPOL-HNNXBMFYSA-N 2 2 390.915 3.872 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236922068 1041960076 /nfs/dbraw/zinc/96/00/76/1041960076.db2.gz MXWPHKRVONYPOL-HNNXBMFYSA-N 2 2 390.915 3.872 20 0 GHADLP FC(F)(F)[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001237015309 1041991348 /nfs/dbraw/zinc/99/13/48/1041991348.db2.gz JDXDIKRQRYMREM-NRFANRHFSA-N 2 2 389.465 3.581 20 0 GHADLP FC(F)(F)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001237015309 1041991351 /nfs/dbraw/zinc/99/13/51/1041991351.db2.gz JDXDIKRQRYMREM-NRFANRHFSA-N 2 2 389.465 3.581 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@@H+]3CCC[C@](C)(C[NH3+])C3)c2n1 ZINC001237081348 1042026809 /nfs/dbraw/zinc/02/68/09/1042026809.db2.gz LHELQGJNDZVEIV-GOSISDBHSA-N 2 2 378.314 3.567 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@H+]3CCC[C@](C)(C[NH3+])C3)c2n1 ZINC001237081348 1042026818 /nfs/dbraw/zinc/02/68/18/1042026818.db2.gz LHELQGJNDZVEIV-GOSISDBHSA-N 2 2 378.314 3.567 20 0 GHADLP FC(F)(F)c1ccccc1-c1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCO3)cc1 ZINC001237143408 1042062701 /nfs/dbraw/zinc/06/27/01/1042062701.db2.gz RCQRKKWVZPLHHN-FQEVSTJZSA-N 2 2 376.422 3.937 20 0 GHADLP FC(F)(F)c1ccccc1-c1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCO3)cc1 ZINC001237143408 1042062706 /nfs/dbraw/zinc/06/27/06/1042062706.db2.gz RCQRKKWVZPLHHN-FQEVSTJZSA-N 2 2 376.422 3.937 20 0 GHADLP Cc1c(I)cccc1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237161835 1042071690 /nfs/dbraw/zinc/07/16/90/1042071690.db2.gz RDTJXKFJNHMEPH-MRXNPFEDSA-N 2 2 384.305 3.706 20 0 GHADLP Cc1c(I)cccc1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237161835 1042071693 /nfs/dbraw/zinc/07/16/93/1042071693.db2.gz RDTJXKFJNHMEPH-MRXNPFEDSA-N 2 2 384.305 3.706 20 0 GHADLP OCCOc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001237201853 1042090269 /nfs/dbraw/zinc/09/02/69/1042090269.db2.gz BAOGKWOMZKVGLV-DEOSSOPVSA-N 2 2 380.532 3.546 20 0 GHADLP OCCOc1ccccc1C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001237201853 1042090276 /nfs/dbraw/zinc/09/02/76/1042090276.db2.gz BAOGKWOMZKVGLV-DEOSSOPVSA-N 2 2 380.532 3.546 20 0 GHADLP OCCOc1ccccc1C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001237201853 1042090283 /nfs/dbraw/zinc/09/02/83/1042090283.db2.gz BAOGKWOMZKVGLV-DEOSSOPVSA-N 2 2 380.532 3.546 20 0 GHADLP OCCOc1ccccc1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001237201853 1042090286 /nfs/dbraw/zinc/09/02/86/1042090286.db2.gz BAOGKWOMZKVGLV-DEOSSOPVSA-N 2 2 380.532 3.546 20 0 GHADLP CCN(C(=O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC001462587069 1070392401 /nfs/dbraw/zinc/39/24/01/1070392401.db2.gz PKLWRRVBTGDSAS-NFBKMPQASA-N 2 2 377.532 3.997 20 0 GHADLP CCN(C(=O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC001462587069 1070392422 /nfs/dbraw/zinc/39/24/22/1070392422.db2.gz PKLWRRVBTGDSAS-NFBKMPQASA-N 2 2 377.532 3.997 20 0 GHADLP COC(=O)c1cc2cc(C[N@@H+]3Cc4ccccc4C34CC[NH2+]CC4)ccc2[nH]1 ZINC001237310177 1042138771 /nfs/dbraw/zinc/13/87/71/1042138771.db2.gz GMYNFXQBIAVGPG-UHFFFAOYSA-N 2 2 375.472 3.549 20 0 GHADLP COC(=O)c1cc2cc(C[N@H+]3Cc4ccccc4C34CC[NH2+]CC4)ccc2[nH]1 ZINC001237310177 1042138779 /nfs/dbraw/zinc/13/87/79/1042138779.db2.gz GMYNFXQBIAVGPG-UHFFFAOYSA-N 2 2 375.472 3.549 20 0 GHADLP Cc1ccc(Cl)c(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1Cl ZINC001237336062 1042154442 /nfs/dbraw/zinc/15/44/42/1042154442.db2.gz OBTLHQUSGXYKLS-IAGOWNOFSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1ccc(Cl)c(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1Cl ZINC001237336062 1042154443 /nfs/dbraw/zinc/15/44/43/1042154443.db2.gz OBTLHQUSGXYKLS-IAGOWNOFSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1ccc(Cl)c(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c1Cl ZINC001237336062 1042154448 /nfs/dbraw/zinc/15/44/48/1042154448.db2.gz OBTLHQUSGXYKLS-IAGOWNOFSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1ccc(Cl)c(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c1Cl ZINC001237336062 1042154451 /nfs/dbraw/zinc/15/44/51/1042154451.db2.gz OBTLHQUSGXYKLS-IAGOWNOFSA-N 2 2 393.362 3.989 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc(OC)c1OCc1ccccc1 ZINC001237415509 1042198421 /nfs/dbraw/zinc/19/84/21/1042198421.db2.gz PTDFGPINJMEAEK-LEWJYISDSA-N 2 2 396.531 3.857 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc(OC)c1OCc1ccccc1 ZINC001237415509 1042198425 /nfs/dbraw/zinc/19/84/25/1042198425.db2.gz PTDFGPINJMEAEK-LEWJYISDSA-N 2 2 396.531 3.857 20 0 GHADLP CCOC[C@@H]1C[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)Cc2cn(C)nc21 ZINC001237879973 1042407410 /nfs/dbraw/zinc/40/74/10/1042407410.db2.gz ZLXUTWBLLLRFKK-FQEVSTJZSA-N 2 2 380.536 3.557 20 0 GHADLP CCOC[C@@H]1C[N@@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)Cc2cn(C)nc21 ZINC001237879973 1042407415 /nfs/dbraw/zinc/40/74/15/1042407415.db2.gz ZLXUTWBLLLRFKK-FQEVSTJZSA-N 2 2 380.536 3.557 20 0 GHADLP CC(C)C1=[NH+]CCc2ccc(C[NH+]3CC4(CN(C(=O)OC(C)(C)C)C4)C3)cc21 ZINC001237881879 1042408248 /nfs/dbraw/zinc/40/82/48/1042408248.db2.gz YKNWLNYOTZERRD-UHFFFAOYSA-N 2 2 383.536 3.741 20 0 GHADLP CCCOc1cc(F)ccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001237904218 1042417503 /nfs/dbraw/zinc/41/75/03/1042417503.db2.gz ITRMLDGDVXRPHW-CTNGQTDRSA-N 2 2 383.511 3.963 20 0 GHADLP CCCOc1cc(F)ccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001237904218 1042417510 /nfs/dbraw/zinc/41/75/10/1042417510.db2.gz ITRMLDGDVXRPHW-CTNGQTDRSA-N 2 2 383.511 3.963 20 0 GHADLP CCCOc1cc(F)ccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001237904218 1042417513 /nfs/dbraw/zinc/41/75/13/1042417513.db2.gz ITRMLDGDVXRPHW-CTNGQTDRSA-N 2 2 383.511 3.963 20 0 GHADLP CCCOc1cc(F)ccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001237904218 1042417517 /nfs/dbraw/zinc/41/75/17/1042417517.db2.gz ITRMLDGDVXRPHW-CTNGQTDRSA-N 2 2 383.511 3.963 20 0 GHADLP Cc1sccc1C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001237973262 1042441469 /nfs/dbraw/zinc/44/14/69/1042441469.db2.gz BMJRBTGHBCTEHC-KRWDZBQOSA-N 2 2 379.570 3.620 20 0 GHADLP Cc1sccc1C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001237973262 1042441470 /nfs/dbraw/zinc/44/14/70/1042441470.db2.gz BMJRBTGHBCTEHC-KRWDZBQOSA-N 2 2 379.570 3.620 20 0 GHADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccc(N5CCCCC5)n4)C[C@@H]3C2)cc1 ZINC001238002738 1042453774 /nfs/dbraw/zinc/45/37/74/1042453774.db2.gz DIKXPCOSEHFCDS-ZRZAMGCNSA-N 2 2 390.575 3.944 20 0 GHADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccc(N5CCCCC5)n4)C[C@@H]3C2)cc1 ZINC001238002738 1042453778 /nfs/dbraw/zinc/45/37/78/1042453778.db2.gz DIKXPCOSEHFCDS-ZRZAMGCNSA-N 2 2 390.575 3.944 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccc(N5CCCCC5)n4)C[C@@H]3C2)cc1 ZINC001238002738 1042453781 /nfs/dbraw/zinc/45/37/81/1042453781.db2.gz DIKXPCOSEHFCDS-ZRZAMGCNSA-N 2 2 390.575 3.944 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccc(N5CCCCC5)n4)C[C@@H]3C2)cc1 ZINC001238002738 1042453785 /nfs/dbraw/zinc/45/37/85/1042453785.db2.gz DIKXPCOSEHFCDS-ZRZAMGCNSA-N 2 2 390.575 3.944 20 0 GHADLP CCCOc1ccc(Br)c(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1F ZINC001238290196 1042543130 /nfs/dbraw/zinc/54/31/30/1042543130.db2.gz APISQSKHCSWTCV-UHFFFAOYSA-N 2 2 385.321 3.905 20 0 GHADLP CC(C)Oc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(F)c1 ZINC001238446697 1042598570 /nfs/dbraw/zinc/59/85/70/1042598570.db2.gz VWLUQCMPPYPUSW-CTNGQTDRSA-N 2 2 383.511 3.962 20 0 GHADLP CC(C)Oc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(F)c1 ZINC001238446697 1042598572 /nfs/dbraw/zinc/59/85/72/1042598572.db2.gz VWLUQCMPPYPUSW-CTNGQTDRSA-N 2 2 383.511 3.962 20 0 GHADLP CC(C)Oc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c(F)c1 ZINC001238446697 1042598574 /nfs/dbraw/zinc/59/85/74/1042598574.db2.gz VWLUQCMPPYPUSW-CTNGQTDRSA-N 2 2 383.511 3.962 20 0 GHADLP CC(C)Oc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c(F)c1 ZINC001238446697 1042598576 /nfs/dbraw/zinc/59/85/76/1042598576.db2.gz VWLUQCMPPYPUSW-CTNGQTDRSA-N 2 2 383.511 3.962 20 0 GHADLP CCOc1cc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc(C(F)(F)F)c1 ZINC001238494741 1042618875 /nfs/dbraw/zinc/61/88/75/1042618875.db2.gz JAWCKSLIQDLFJG-UHFFFAOYSA-N 2 2 385.430 3.734 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3cc(OCC)ccc3C)CC2)CC1 ZINC001238711325 1042696268 /nfs/dbraw/zinc/69/62/68/1042696268.db2.gz IKMFORYYQSXDBO-UHFFFAOYSA-N 2 2 388.552 3.633 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256523723 1043450145 /nfs/dbraw/zinc/45/01/45/1043450145.db2.gz RRRMSXLKXWJUKM-URXFXBBRSA-N 3 2 392.591 3.581 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256523723 1043450159 /nfs/dbraw/zinc/45/01/59/1043450159.db2.gz RRRMSXLKXWJUKM-URXFXBBRSA-N 3 2 392.591 3.581 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N3CC[NH+](C)CC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256524882 1043451249 /nfs/dbraw/zinc/45/12/49/1043451249.db2.gz ZTDXWVCYFYONAW-URXFXBBRSA-N 3 2 392.591 3.581 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N3CC[NH+](C)CC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001256524882 1043451260 /nfs/dbraw/zinc/45/12/60/1043451260.db2.gz ZTDXWVCYFYONAW-URXFXBBRSA-N 3 2 392.591 3.581 20 0 GHADLP COc1ccccc1C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256531439 1043463436 /nfs/dbraw/zinc/46/34/36/1043463436.db2.gz HURATLCSJKZPMJ-OYDLWJJNSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccccc1C[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256531439 1043463454 /nfs/dbraw/zinc/46/34/54/1043463454.db2.gz HURATLCSJKZPMJ-OYDLWJJNSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccccc1C[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256531439 1043463460 /nfs/dbraw/zinc/46/34/60/1043463460.db2.gz HURATLCSJKZPMJ-OYDLWJJNSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccccc1C[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256531439 1043463465 /nfs/dbraw/zinc/46/34/65/1043463465.db2.gz HURATLCSJKZPMJ-OYDLWJJNSA-N 2 2 393.575 3.912 20 0 GHADLP CC(C)Oc1ncnc2c1CC[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256539149 1043486213 /nfs/dbraw/zinc/48/62/13/1043486213.db2.gz BIQCBXUZQUDSHQ-PZJWPPBQSA-N 2 2 394.563 3.718 20 0 GHADLP CC(C)Oc1ncnc2c1CC[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256539149 1043486227 /nfs/dbraw/zinc/48/62/27/1043486227.db2.gz BIQCBXUZQUDSHQ-PZJWPPBQSA-N 2 2 394.563 3.718 20 0 GHADLP CC(C)Oc1ncnc2c1CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256539149 1043486233 /nfs/dbraw/zinc/48/62/33/1043486233.db2.gz BIQCBXUZQUDSHQ-PZJWPPBQSA-N 2 2 394.563 3.718 20 0 GHADLP CC(C)Oc1ncnc2c1CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256539149 1043486262 /nfs/dbraw/zinc/48/62/62/1043486262.db2.gz BIQCBXUZQUDSHQ-PZJWPPBQSA-N 2 2 394.563 3.718 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256545841 1043504681 /nfs/dbraw/zinc/50/46/81/1043504681.db2.gz VNPKMBSDVYGTRW-OTGYPNLISA-N 2 2 384.564 3.698 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256545841 1043504693 /nfs/dbraw/zinc/50/46/93/1043504693.db2.gz VNPKMBSDVYGTRW-OTGYPNLISA-N 2 2 384.564 3.698 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)CC[NH+]1Cc1ccccc1 ZINC001256545841 1043504716 /nfs/dbraw/zinc/50/47/16/1043504716.db2.gz VNPKMBSDVYGTRW-OTGYPNLISA-N 2 2 384.564 3.698 20 0 GHADLP C[C@H]1C[C@@H]([N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)CC[NH+]1Cc1ccccc1 ZINC001256545841 1043504728 /nfs/dbraw/zinc/50/47/28/1043504728.db2.gz VNPKMBSDVYGTRW-OTGYPNLISA-N 2 2 384.564 3.698 20 0 GHADLP COc1ccnc(O[C@@H]2CC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001256558407 1043530456 /nfs/dbraw/zinc/53/04/56/1043530456.db2.gz RSMDTEOFPLPUQO-KAGYGMCKSA-N 2 2 381.520 3.596 20 0 GHADLP COc1ccnc(O[C@@H]2CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001256558407 1043530461 /nfs/dbraw/zinc/53/04/61/1043530461.db2.gz RSMDTEOFPLPUQO-KAGYGMCKSA-N 2 2 381.520 3.596 20 0 GHADLP COc1ccnc(O[C@@H]2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001256558407 1043530468 /nfs/dbraw/zinc/53/04/68/1043530468.db2.gz RSMDTEOFPLPUQO-KAGYGMCKSA-N 2 2 381.520 3.596 20 0 GHADLP COc1ccnc(O[C@@H]2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001256558407 1043530473 /nfs/dbraw/zinc/53/04/73/1043530473.db2.gz RSMDTEOFPLPUQO-KAGYGMCKSA-N 2 2 381.520 3.596 20 0 GHADLP COC(=O)c1cccc2c1CC[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256559703 1043534372 /nfs/dbraw/zinc/53/43/72/1043534372.db2.gz NEZIGICJSNSFSQ-NQIIRXRSSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1cccc2c1CC[N@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256559703 1043534381 /nfs/dbraw/zinc/53/43/81/1043534381.db2.gz NEZIGICJSNSFSQ-NQIIRXRSSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1cccc2c1CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256559703 1043534387 /nfs/dbraw/zinc/53/43/87/1043534387.db2.gz NEZIGICJSNSFSQ-NQIIRXRSSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1cccc2c1CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256559703 1043534390 /nfs/dbraw/zinc/53/43/90/1043534390.db2.gz NEZIGICJSNSFSQ-NQIIRXRSSA-N 2 2 378.516 3.884 20 0 GHADLP CC(C)(C)[NH+]1CCC(N2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)CC1 ZINC001256577291 1043549368 /nfs/dbraw/zinc/54/93/68/1043549368.db2.gz IAFUXUDFZIKKSO-IBGZPJMESA-N 2 2 383.502 3.998 20 0 GHADLP CC(C)(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)CC1 ZINC001256577291 1043549380 /nfs/dbraw/zinc/54/93/80/1043549380.db2.gz IAFUXUDFZIKKSO-IBGZPJMESA-N 2 2 383.502 3.998 20 0 GHADLP c1ccc2c(c1)CC[N@@H+](C1CC[NH+](C3CCN(Cc4ccncc4)CC3)CC1)C2 ZINC001256594575 1043560439 /nfs/dbraw/zinc/56/04/39/1043560439.db2.gz XLBCTLIPZYGTPK-UHFFFAOYSA-N 2 2 390.575 3.569 20 0 GHADLP c1ccc2c(c1)CC[N@H+](C1CC[NH+](C3CCN(Cc4ccncc4)CC3)CC1)C2 ZINC001256594575 1043560450 /nfs/dbraw/zinc/56/04/50/1043560450.db2.gz XLBCTLIPZYGTPK-UHFFFAOYSA-N 2 2 390.575 3.569 20 0 GHADLP CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccncc2)CC1 ZINC001256594654 1043560701 /nfs/dbraw/zinc/56/07/01/1043560701.db2.gz ZVOUODNOCVLPMV-DEOSSOPVSA-N 2 2 378.564 3.642 20 0 GHADLP CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccncc2)CC1 ZINC001256594654 1043560714 /nfs/dbraw/zinc/56/07/14/1043560714.db2.gz ZVOUODNOCVLPMV-DEOSSOPVSA-N 2 2 378.564 3.642 20 0 GHADLP COc1ccc(CC[N@H+](C[C@@H](C)O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001256603247 1043566105 /nfs/dbraw/zinc/56/61/05/1043566105.db2.gz ADCHVYBHXWVPHC-HXUWFJFHSA-N 2 2 382.548 3.585 20 0 GHADLP COc1ccc(CC[N@@H+](C[C@@H](C)O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001256603247 1043566118 /nfs/dbraw/zinc/56/61/18/1043566118.db2.gz ADCHVYBHXWVPHC-HXUWFJFHSA-N 2 2 382.548 3.585 20 0 GHADLP CC1(C)[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC[C@]12c1ccccc1OC2=O ZINC001256613856 1043576873 /nfs/dbraw/zinc/57/68/73/1043576873.db2.gz XDMBRLJWBRGBAF-RUZDIDTESA-N 2 2 390.527 3.992 20 0 GHADLP CC1(C)[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC[C@]12c1ccccc1OC2=O ZINC001256613856 1043576883 /nfs/dbraw/zinc/57/68/83/1043576883.db2.gz XDMBRLJWBRGBAF-RUZDIDTESA-N 2 2 390.527 3.992 20 0 GHADLP C[C@@H](Cc1ccncc1)[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001256739260 1043642486 /nfs/dbraw/zinc/64/24/86/1043642486.db2.gz AWCNNXYTYGKQET-GHTZIAJQSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@@H](Cc1ccncc1)[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001256739260 1043642493 /nfs/dbraw/zinc/64/24/93/1043642493.db2.gz AWCNNXYTYGKQET-GHTZIAJQSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@@H](Cc1ccncc1)[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001256739260 1043642498 /nfs/dbraw/zinc/64/24/98/1043642498.db2.gz AWCNNXYTYGKQET-GHTZIAJQSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@@H](Cc1ccncc1)[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001256739260 1043642502 /nfs/dbraw/zinc/64/25/02/1043642502.db2.gz AWCNNXYTYGKQET-GHTZIAJQSA-N 2 2 386.490 3.641 20 0 GHADLP [NH3+]C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Br)cc1 ZINC001256798655 1043658158 /nfs/dbraw/zinc/65/81/58/1043658158.db2.gz JUYLCHGRGATIKW-QYZOEREBSA-N 2 2 375.310 3.959 20 0 GHADLP FC(F)(F)c1cccnc1N1CCC([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001256884259 1043721740 /nfs/dbraw/zinc/72/17/40/1043721740.db2.gz ZLZWANGUYNNMNL-KRWDZBQOSA-N 2 2 382.474 3.533 20 0 GHADLP FC(F)(F)c1cccnc1N1CCC([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001256884259 1043721749 /nfs/dbraw/zinc/72/17/49/1043721749.db2.gz ZLZWANGUYNNMNL-KRWDZBQOSA-N 2 2 382.474 3.533 20 0 GHADLP Fc1cccc(CN2CCC([NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)CC2)c1F ZINC001256906447 1043733277 /nfs/dbraw/zinc/73/32/77/1043733277.db2.gz BFUAYAUKUVMXLD-IBGZPJMESA-N 2 2 377.523 3.926 20 0 GHADLP Fc1cccc(CN2CCC([NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)CC2)c1F ZINC001256906447 1043733290 /nfs/dbraw/zinc/73/32/90/1043733290.db2.gz BFUAYAUKUVMXLD-IBGZPJMESA-N 2 2 377.523 3.926 20 0 GHADLP CC[C@H]1C[C@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CCN1C(=O)OC(C)(C)C ZINC001257132503 1043880324 /nfs/dbraw/zinc/88/03/24/1043880324.db2.gz PGLNTBNOLXYSCI-RBUKOAKNSA-N 2 2 377.573 3.582 20 0 GHADLP CC[C@H]1C[C@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CCN1C(=O)OC(C)(C)C ZINC001257132503 1043880344 /nfs/dbraw/zinc/88/03/44/1043880344.db2.gz PGLNTBNOLXYSCI-RBUKOAKNSA-N 2 2 377.573 3.582 20 0 GHADLP CC(C)[C@@H]1C[C@@H]([N@H+](CC[NH3+])Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001257181560 1043921850 /nfs/dbraw/zinc/92/18/50/1043921850.db2.gz VWHVUNKLUPGUIS-PMACEKPBSA-N 2 2 375.557 3.871 20 0 GHADLP CC(C)[C@@H]1C[C@@H]([N@@H+](CC[NH3+])Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001257181560 1043921855 /nfs/dbraw/zinc/92/18/55/1043921855.db2.gz VWHVUNKLUPGUIS-PMACEKPBSA-N 2 2 375.557 3.871 20 0 GHADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257788612 1044172641 /nfs/dbraw/zinc/17/26/41/1044172641.db2.gz QOPUGXGVXHQYEP-KNQAVFIVSA-N 2 2 379.589 3.878 20 0 GHADLP CCOC(=O)CCC[C@H](C)[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001258125099 1044413195 /nfs/dbraw/zinc/41/31/95/1044413195.db2.gz VUZPXWBMMFNSGL-SFHVURJKSA-N 2 2 399.535 3.787 20 0 GHADLP CCOC(=O)CCC[C@H](C)[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001258125099 1044413201 /nfs/dbraw/zinc/41/32/01/1044413201.db2.gz VUZPXWBMMFNSGL-SFHVURJKSA-N 2 2 399.535 3.787 20 0 GHADLP CCOC(=O)CCC[C@H](C)[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001258125099 1044413206 /nfs/dbraw/zinc/41/32/06/1044413206.db2.gz VUZPXWBMMFNSGL-SFHVURJKSA-N 2 2 399.535 3.787 20 0 GHADLP CCOC(=O)CCC[C@H](C)[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001258125099 1044413214 /nfs/dbraw/zinc/41/32/14/1044413214.db2.gz VUZPXWBMMFNSGL-SFHVURJKSA-N 2 2 399.535 3.787 20 0 GHADLP Fc1ccc(Cn2cncc2C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001258138451 1044423468 /nfs/dbraw/zinc/42/34/68/1044423468.db2.gz XQCADPDNAQTGQR-UHFFFAOYSA-N 2 2 392.522 3.867 20 0 GHADLP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1c(Cl)cc(O)cc1Cl)CC2 ZINC001279082194 1044467387 /nfs/dbraw/zinc/46/73/87/1044467387.db2.gz SDISEUJWLHFCTA-UHFFFAOYSA-N 2 2 386.367 3.549 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@@H](C)CC(C)(C)SC)CC2)cc1 ZINC001258328723 1044507625 /nfs/dbraw/zinc/50/76/25/1044507625.db2.gz YCHVDRNJFHDMKU-INIZCTEOSA-N 2 2 378.582 3.947 20 0 GHADLP C[C@@H](CC1CC1)[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001258473533 1044575003 /nfs/dbraw/zinc/57/50/03/1044575003.db2.gz WEWMRGAKQVACQX-KRWDZBQOSA-N 2 2 379.589 3.971 20 0 GHADLP C[C@@H](CC1CC1)[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001258473533 1044575019 /nfs/dbraw/zinc/57/50/19/1044575019.db2.gz WEWMRGAKQVACQX-KRWDZBQOSA-N 2 2 379.589 3.971 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@H](C)Cc1ccc(Cl)cc1Cl)CC2 ZINC001258681268 1044709298 /nfs/dbraw/zinc/70/92/98/1044709298.db2.gz JZBWYEACYYWBBF-OAHLLOKOSA-N 2 2 398.378 3.601 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@H](C)Cc1ccc(Cl)cc1Cl)CC2 ZINC001258681268 1044709309 /nfs/dbraw/zinc/70/93/09/1044709309.db2.gz JZBWYEACYYWBBF-OAHLLOKOSA-N 2 2 398.378 3.601 20 0 GHADLP CCC[NH+]1CCC([NH2+][C@H](CNC(=O)OC(C)(C)C)c2cccc(OC)c2)CC1 ZINC001258771647 1044756827 /nfs/dbraw/zinc/75/68/27/1044756827.db2.gz MSNJASFVZWHPRV-HXUWFJFHSA-N 2 2 391.556 3.725 20 0 GHADLP CCOC(=O)[C@H](CSCc1ccccc1)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258905692 1044860372 /nfs/dbraw/zinc/86/03/72/1044860372.db2.gz WESDTFRLFJXXFG-QUCCMNQESA-N 2 2 380.598 3.952 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551734873 1044959865 /nfs/dbraw/zinc/95/98/65/1044959865.db2.gz OWPIKXMUZALIPR-SKFMWMRISA-N 2 2 386.580 3.539 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551734873 1044959868 /nfs/dbraw/zinc/95/98/68/1044959868.db2.gz OWPIKXMUZALIPR-SKFMWMRISA-N 2 2 386.580 3.539 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[NH+]2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551734873 1044959871 /nfs/dbraw/zinc/95/98/71/1044959871.db2.gz OWPIKXMUZALIPR-SKFMWMRISA-N 2 2 386.580 3.539 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[NH+]2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551734873 1044959873 /nfs/dbraw/zinc/95/98/73/1044959873.db2.gz OWPIKXMUZALIPR-SKFMWMRISA-N 2 2 386.580 3.539 20 0 GHADLP C[C@@H](NC(=O)c1c[nH+]ccc1Nc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001296233036 1045284739 /nfs/dbraw/zinc/28/47/39/1045284739.db2.gz YUADXBHSLWPQEQ-QZTJIDSGSA-N 2 2 378.520 3.630 20 0 GHADLP C[C@@H](NC(=O)c1c[nH+]ccc1Nc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001296233036 1045284750 /nfs/dbraw/zinc/28/47/50/1045284750.db2.gz YUADXBHSLWPQEQ-QZTJIDSGSA-N 2 2 378.520 3.630 20 0 GHADLP c1ccc(COc2ccccc2C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001262113057 1046192812 /nfs/dbraw/zinc/19/28/12/1046192812.db2.gz AFRGRRJEMZOPAE-UHFFFAOYSA-N 2 2 380.532 3.999 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1)c1ccccc1 ZINC001301662788 1046648294 /nfs/dbraw/zinc/64/82/94/1046648294.db2.gz QEQJXSXSSDDSIO-RTWAWAEBSA-N 2 2 385.939 3.896 20 0 GHADLP C[NH+](C)CCc1ccc(C(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cc1 ZINC001263989299 1047206308 /nfs/dbraw/zinc/20/63/08/1047206308.db2.gz SXTWKLJIMOLTLS-FQEVSTJZSA-N 2 2 382.552 3.762 20 0 GHADLP CC1(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001303304098 1047351020 /nfs/dbraw/zinc/35/10/20/1047351020.db2.gz OPBQCCNJKUDQMI-QFIPXVFZSA-N 2 2 395.522 3.601 20 0 GHADLP Brc1csc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001279165020 1047734492 /nfs/dbraw/zinc/73/44/92/1047734492.db2.gz HDVIPYQCUABHDX-UHFFFAOYSA-N 2 2 380.355 3.937 20 0 GHADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3c[nH]c4nccc(Br)c34)C2)C1 ZINC001279166038 1047735352 /nfs/dbraw/zinc/73/53/52/1047735352.db2.gz ZSDZPTUDDMOPRB-GOSISDBHSA-N 2 2 377.330 3.633 20 0 GHADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3c[nH]c4nccc(Br)c34)C2)C1 ZINC001279166038 1047735355 /nfs/dbraw/zinc/73/53/55/1047735355.db2.gz ZSDZPTUDDMOPRB-GOSISDBHSA-N 2 2 377.330 3.633 20 0 GHADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3c[nH]c4nccc(Br)c34)C2)C1 ZINC001279166038 1047735361 /nfs/dbraw/zinc/73/53/61/1047735361.db2.gz ZSDZPTUDDMOPRB-GOSISDBHSA-N 2 2 377.330 3.633 20 0 GHADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3c[nH]c4nccc(Br)c34)C2)C1 ZINC001279166038 1047735367 /nfs/dbraw/zinc/73/53/67/1047735367.db2.gz ZSDZPTUDDMOPRB-GOSISDBHSA-N 2 2 377.330 3.633 20 0 GHADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3c(F)cc(F)cc3Cl)C2)C1 ZINC001279469186 1047817822 /nfs/dbraw/zinc/81/78/22/1047817822.db2.gz NOJSWJIMKTYZIJ-FQEVSTJZSA-N 2 2 385.930 3.858 20 0 GHADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3c(F)cc(F)cc3Cl)C2)C1 ZINC001279469186 1047817829 /nfs/dbraw/zinc/81/78/29/1047817829.db2.gz NOJSWJIMKTYZIJ-FQEVSTJZSA-N 2 2 385.930 3.858 20 0 GHADLP COc1cc(Cl)cc(F)c1C[NH2+][C@@]12CC[C@@](NCC[NH+](C)C)(C1)CCC2 ZINC001279681063 1047912635 /nfs/dbraw/zinc/91/26/35/1047912635.db2.gz PCXYPYHDDISTLU-UXHICEINSA-N 2 2 383.939 3.574 20 0 GHADLP C[N@@H+]1CCCC2(CC[NH+](Cc3nc4ccc(Br)cc4[nH]3)CC2)C1 ZINC001279736438 1047938609 /nfs/dbraw/zinc/93/86/09/1047938609.db2.gz NEZRQJWZWMEWMS-UHFFFAOYSA-N 2 2 377.330 3.633 20 0 GHADLP C[N@H+]1CCCC2(CC[NH+](Cc3nc4ccc(Br)cc4[nH]3)CC2)C1 ZINC001279736438 1047938615 /nfs/dbraw/zinc/93/86/15/1047938615.db2.gz NEZRQJWZWMEWMS-UHFFFAOYSA-N 2 2 377.330 3.633 20 0 GHADLP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(C)c(Cl)cc1F)CC2 ZINC001280115116 1048088704 /nfs/dbraw/zinc/08/87/04/1048088704.db2.gz IZRRAGKCXRPERO-UHFFFAOYSA-N 2 2 384.923 3.696 20 0 GHADLP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1cc(C)c(Cl)cc1F)CC2 ZINC001280115116 1048088714 /nfs/dbraw/zinc/08/87/14/1048088714.db2.gz IZRRAGKCXRPERO-UHFFFAOYSA-N 2 2 384.923 3.696 20 0 GHADLP CCc1c[nH]c2nc[nH+]c(N[C@@H](CC)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)c12 ZINC001306991942 1048995672 /nfs/dbraw/zinc/99/56/72/1048995672.db2.gz MFJGRKSIUHUBIF-OALUTQOASA-N 2 2 379.508 3.612 20 0 GHADLP CCc1c[nH]c2nc[nH+]c(N[C@@H](CC)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)c12 ZINC001306991942 1048995673 /nfs/dbraw/zinc/99/56/73/1048995673.db2.gz MFJGRKSIUHUBIF-OALUTQOASA-N 2 2 379.508 3.612 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](C)CCC[C@@H]3C)CC2)cc1 ZINC001307476764 1049314079 /nfs/dbraw/zinc/31/40/79/1049314079.db2.gz ABNRKZADOOHYEE-RTWAWAEBSA-N 2 2 385.596 3.965 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](C)CCC[C@@H]3C)CC2)cc1 ZINC001307476764 1049314088 /nfs/dbraw/zinc/31/40/88/1049314088.db2.gz ABNRKZADOOHYEE-RTWAWAEBSA-N 2 2 385.596 3.965 20 0 GHADLP CCCOc1ccc2c(c1)CC[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC001307595144 1049434521 /nfs/dbraw/zinc/43/45/21/1049434521.db2.gz GTGQEUKZIOFONB-UHFFFAOYSA-N 2 2 380.532 3.866 20 0 GHADLP CCCOc1ccc2c(c1)CC[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC001307595144 1049434522 /nfs/dbraw/zinc/43/45/22/1049434522.db2.gz GTGQEUKZIOFONB-UHFFFAOYSA-N 2 2 380.532 3.866 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)CCCO2 ZINC001307945250 1049714958 /nfs/dbraw/zinc/71/49/58/1049714958.db2.gz BRQXSAYHNFYJCQ-FQEVSTJZSA-N 2 2 379.548 3.875 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCCO2 ZINC001307947334 1049716429 /nfs/dbraw/zinc/71/64/29/1049716429.db2.gz KUGVDKZNMKWPFH-XXBNENTESA-N 2 2 380.532 3.953 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCCO2 ZINC001307947334 1049716437 /nfs/dbraw/zinc/71/64/37/1049716437.db2.gz KUGVDKZNMKWPFH-XXBNENTESA-N 2 2 380.532 3.953 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccc(Cl)cc1 ZINC001290306578 1049796564 /nfs/dbraw/zinc/79/65/64/1049796564.db2.gz WEXQAVVUDJBNOM-RTBURBONSA-N 2 2 377.891 3.501 20 0 GHADLP COCc1cccc(OCC2(C[NH+]3CCC(c4c[nH+]cn4C)CC3)CCC2)c1 ZINC001308167765 1049897157 /nfs/dbraw/zinc/89/71/57/1049897157.db2.gz VXSXLYXDTNZKFI-UHFFFAOYSA-N 2 2 383.536 3.995 20 0 GHADLP C[N@H+](CCC[NH2+]Cc1c(Cl)cccc1N1CCOCC1)C1CCCCC1 ZINC001308180630 1049903463 /nfs/dbraw/zinc/90/34/63/1049903463.db2.gz NYCDGLRCCXHHQR-UHFFFAOYSA-N 2 2 379.976 3.921 20 0 GHADLP C[N@@H+](CCC[NH2+]Cc1c(Cl)cccc1N1CCOCC1)C1CCCCC1 ZINC001308180630 1049903467 /nfs/dbraw/zinc/90/34/67/1049903467.db2.gz NYCDGLRCCXHHQR-UHFFFAOYSA-N 2 2 379.976 3.921 20 0 GHADLP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC001308344465 1049954118 /nfs/dbraw/zinc/95/41/18/1049954118.db2.gz KREGROBGJLCHMV-QFIPXVFZSA-N 2 2 377.488 3.588 20 0 GHADLP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC001308344465 1049954119 /nfs/dbraw/zinc/95/41/19/1049954119.db2.gz KREGROBGJLCHMV-QFIPXVFZSA-N 2 2 377.488 3.588 20 0 GHADLP Clc1cccc(CC[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001308581013 1050018158 /nfs/dbraw/zinc/01/81/58/1050018158.db2.gz DHOZHVABMAYUBP-NRFANRHFSA-N 2 2 398.982 3.812 20 0 GHADLP Clc1cccc(CC[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001308581013 1050018164 /nfs/dbraw/zinc/01/81/64/1050018164.db2.gz DHOZHVABMAYUBP-NRFANRHFSA-N 2 2 398.982 3.812 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001328561082 1050544544 /nfs/dbraw/zinc/54/45/44/1050544544.db2.gz AUGPHPGJICIATE-INIZCTEOSA-N 2 2 394.523 3.898 20 0 GHADLP [NH3+][C@H](C[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1)C1CCCC1 ZINC001331392603 1051267945 /nfs/dbraw/zinc/26/79/45/1051267945.db2.gz RQMQCWVIIISITR-TZIWHRDSSA-N 2 2 399.583 3.511 20 0 GHADLP [NH3+][C@@H](C[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1)C1CCCC1 ZINC001331392596 1051268096 /nfs/dbraw/zinc/26/80/96/1051268096.db2.gz RQMQCWVIIISITR-CTNGQTDRSA-N 2 2 399.583 3.511 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nc(Cl)ccc2Br)C1 ZINC001331726964 1051361993 /nfs/dbraw/zinc/36/19/93/1051361993.db2.gz XXQBSZFGPFHXKO-GFCCVEGCSA-N 2 2 383.721 3.686 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nc(Cl)ccc2Br)C1 ZINC001331726964 1051362001 /nfs/dbraw/zinc/36/20/01/1051362001.db2.gz XXQBSZFGPFHXKO-GFCCVEGCSA-N 2 2 383.721 3.686 20 0 GHADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC001334786984 1051978911 /nfs/dbraw/zinc/97/89/11/1051978911.db2.gz KUHMTXRZEVGNFL-QHCPKHFHSA-N 2 2 398.595 3.635 20 0 GHADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CC2)cc1 ZINC001334786984 1051978915 /nfs/dbraw/zinc/97/89/15/1051978915.db2.gz KUHMTXRZEVGNFL-QHCPKHFHSA-N 2 2 398.595 3.635 20 0 GHADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001312013314 1052528640 /nfs/dbraw/zinc/52/86/40/1052528640.db2.gz TYFWTOBUNCQWNU-GOTSBHOMSA-N 2 2 392.547 3.700 20 0 GHADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001312013314 1052528647 /nfs/dbraw/zinc/52/86/47/1052528647.db2.gz TYFWTOBUNCQWNU-GOTSBHOMSA-N 2 2 392.547 3.700 20 0 GHADLP CCC[N@H+](C)[C@H](CNC(=O)NCc1cc[nH+]c(NC)c1)c1ccc(Cl)cc1 ZINC001312675574 1052834218 /nfs/dbraw/zinc/83/42/18/1052834218.db2.gz WHJFGALUBAJHIG-GOSISDBHSA-N 2 2 389.931 3.659 20 0 GHADLP CCC[N@@H+](C)[C@H](CNC(=O)NCc1cc[nH+]c(NC)c1)c1ccc(Cl)cc1 ZINC001312675574 1052834224 /nfs/dbraw/zinc/83/42/24/1052834224.db2.gz WHJFGALUBAJHIG-GOSISDBHSA-N 2 2 389.931 3.659 20 0 GHADLP C[C@H](c1nc([C@@H]2C[NH+]3CCC2CC3)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001321123815 1056106450 /nfs/dbraw/zinc/10/64/50/1056106450.db2.gz MFBBFLMHLIYLCR-DYESRHJHSA-N 2 2 380.536 3.895 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1C ZINC001200749622 1056887175 /nfs/dbraw/zinc/88/71/75/1056887175.db2.gz ALIADDLZPSRZMD-UHFFFAOYSA-N 2 2 381.520 3.606 20 0 GHADLP Cc1cc(Cl)cc(Cl)c1NC(=S)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001200819179 1056986602 /nfs/dbraw/zinc/98/66/02/1056986602.db2.gz LCGXPRUETSBFLJ-UHFFFAOYSA-N 2 2 389.396 3.614 20 0 GHADLP C[C@H](C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC001324472481 1057142560 /nfs/dbraw/zinc/14/25/60/1057142560.db2.gz KVZSJIIVMSNICT-WIYYLYMNSA-N 2 2 380.536 3.593 20 0 GHADLP CC(C)(C)c1ccc(N2CCC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)cc1 ZINC000848523815 1057147758 /nfs/dbraw/zinc/14/77/58/1057147758.db2.gz NRKIFOXLXBBYIT-HSZRJFAPSA-N 2 2 385.596 3.796 20 0 GHADLP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCN1C(=O)OC(C)(C)C ZINC001324724197 1057212209 /nfs/dbraw/zinc/21/22/09/1057212209.db2.gz LWICFUXYHMXWQK-CEXWTWQISA-N 2 2 390.572 3.710 20 0 GHADLP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCN1C(=O)OC(C)(C)C ZINC001324724197 1057212215 /nfs/dbraw/zinc/21/22/15/1057212215.db2.gz LWICFUXYHMXWQK-CEXWTWQISA-N 2 2 390.572 3.710 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(OCC(F)F)ccn1 ZINC001325039218 1057268622 /nfs/dbraw/zinc/26/86/22/1057268622.db2.gz PENLWADJFLKLRO-JXFKEZNVSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(OCC(F)F)ccn1 ZINC001325039218 1057268625 /nfs/dbraw/zinc/26/86/25/1057268625.db2.gz PENLWADJFLKLRO-JXFKEZNVSA-N 2 2 375.463 3.726 20 0 GHADLP COC(=O)/C=C/c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000848911006 1057415570 /nfs/dbraw/zinc/41/55/70/1057415570.db2.gz PKZVCOIRHOTXKJ-JJNABOQBSA-N 2 2 380.488 3.564 20 0 GHADLP COC(=O)/C=C/c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000848911006 1057415573 /nfs/dbraw/zinc/41/55/73/1057415573.db2.gz PKZVCOIRHOTXKJ-JJNABOQBSA-N 2 2 380.488 3.564 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC000848911006 1057415577 /nfs/dbraw/zinc/41/55/77/1057415577.db2.gz PKZVCOIRHOTXKJ-JJNABOQBSA-N 2 2 380.488 3.564 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC000848911006 1057415581 /nfs/dbraw/zinc/41/55/81/1057415581.db2.gz PKZVCOIRHOTXKJ-JJNABOQBSA-N 2 2 380.488 3.564 20 0 GHADLP CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001356371033 1057491994 /nfs/dbraw/zinc/49/19/94/1057491994.db2.gz BAJSJQFCVDMGPA-CTNGQTDRSA-N 2 2 396.583 3.556 20 0 GHADLP CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001356371033 1057491998 /nfs/dbraw/zinc/49/19/98/1057491998.db2.gz BAJSJQFCVDMGPA-CTNGQTDRSA-N 2 2 396.583 3.556 20 0 GHADLP CC[C@H](C)[NH2+][C@@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1ccco1 ZINC000849051371 1057561003 /nfs/dbraw/zinc/56/10/03/1057561003.db2.gz IOPHHHBXBJQHJH-BBRMVZONSA-N 2 2 398.429 3.922 20 0 GHADLP CC(C)c1cccc(NC(=[NH2+])NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000849061848 1057571993 /nfs/dbraw/zinc/57/19/93/1057571993.db2.gz VSDKPEAVRCJWRM-LJQANCHMSA-N 2 2 379.552 3.957 20 0 GHADLP [NH2+]=C(NCC[N@@H+]1CCc2sccc2C1)Nc1cccc(OC(F)(F)F)c1 ZINC000849083737 1057585813 /nfs/dbraw/zinc/58/58/13/1057585813.db2.gz GZAWRLNMVAXYFO-UHFFFAOYSA-N 2 2 384.427 3.641 20 0 GHADLP [NH2+]=C(NCC[N@H+]1CCc2sccc2C1)Nc1cccc(OC(F)(F)F)c1 ZINC000849083737 1057585817 /nfs/dbraw/zinc/58/58/17/1057585817.db2.gz GZAWRLNMVAXYFO-UHFFFAOYSA-N 2 2 384.427 3.641 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC001449562388 1060425214 /nfs/dbraw/zinc/42/52/14/1060425214.db2.gz HXPPCOIADXFBOV-UHFFFAOYSA-N 2 2 396.579 3.833 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC001456222374 1062561745 /nfs/dbraw/zinc/56/17/45/1062561745.db2.gz REIBVCGZSOIIRP-PZJWPPBQSA-N 2 2 386.584 3.682 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC001456222374 1062561768 /nfs/dbraw/zinc/56/17/68/1062561768.db2.gz REIBVCGZSOIIRP-PZJWPPBQSA-N 2 2 386.584 3.682 20 0 GHADLP C[C@@H]1C[C@H]2CC[C@H](C(=O)Nc3ccccc3-c3[nH+]cc4n3CCCC4)C[N@@H+]2C1 ZINC001348588597 1063231970 /nfs/dbraw/zinc/23/19/70/1063231970.db2.gz FHVIGKKWIWJGNP-FGTMMUONSA-N 2 2 378.520 3.945 20 0 GHADLP C[C@@H]1C[C@H]2CC[C@H](C(=O)Nc3ccccc3-c3[nH+]cc4n3CCCC4)C[N@H+]2C1 ZINC001348588597 1063231995 /nfs/dbraw/zinc/23/19/95/1063231995.db2.gz FHVIGKKWIWJGNP-FGTMMUONSA-N 2 2 378.520 3.945 20 0 GHADLP Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001458873349 1063953133 /nfs/dbraw/zinc/95/31/33/1063953133.db2.gz GKRWLOGXRNKBHY-KIHHCIJBSA-N 2 2 397.607 3.894 20 0 GHADLP Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001458873349 1063953135 /nfs/dbraw/zinc/95/31/35/1063953135.db2.gz GKRWLOGXRNKBHY-KIHHCIJBSA-N 2 2 397.607 3.894 20 0 GHADLP Cc1ccc2c(ccc(C)c2C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001465014280 1065327467 /nfs/dbraw/zinc/32/74/67/1065327467.db2.gz BLOADUGTQFZWKI-OAQYLSRUSA-N 2 2 379.548 3.697 20 0 GHADLP Cc1ccc2c(ccc(C)c2C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001465014280 1065327480 /nfs/dbraw/zinc/32/74/80/1065327480.db2.gz BLOADUGTQFZWKI-OAQYLSRUSA-N 2 2 379.548 3.697 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccc(C)cc1Br ZINC001465206718 1065462038 /nfs/dbraw/zinc/46/20/38/1065462038.db2.gz RKKCMHXGGRZLTR-UHFFFAOYSA-N 2 2 385.265 3.828 20 0 GHADLP CC[N@@H+]1CCN(C(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C[C@@H]1C ZINC001466103757 1065983839 /nfs/dbraw/zinc/98/38/39/1065983839.db2.gz PFFZKRREGYCHSI-REWPJTCUSA-N 2 2 397.538 3.580 20 0 GHADLP CC[N@H+]1CCN(C(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C[C@@H]1C ZINC001466103757 1065983841 /nfs/dbraw/zinc/98/38/41/1065983841.db2.gz PFFZKRREGYCHSI-REWPJTCUSA-N 2 2 397.538 3.580 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1C ZINC001460089979 1068775901 /nfs/dbraw/zinc/77/59/01/1068775901.db2.gz KJKLMHSZDMURKL-DEOSSOPVSA-N 2 2 378.516 3.880 20 0 GHADLP COC(=O)c1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1C ZINC001460089979 1068775910 /nfs/dbraw/zinc/77/59/10/1068775910.db2.gz KJKLMHSZDMURKL-DEOSSOPVSA-N 2 2 378.516 3.880 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1C ZINC001460089979 1068775917 /nfs/dbraw/zinc/77/59/17/1068775917.db2.gz KJKLMHSZDMURKL-DEOSSOPVSA-N 2 2 378.516 3.880 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1C ZINC001460089979 1068775929 /nfs/dbraw/zinc/77/59/29/1068775929.db2.gz KJKLMHSZDMURKL-DEOSSOPVSA-N 2 2 378.516 3.880 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+]3CCN(c4cc[nH+]cc4)[C@H](C)C3)co2)cc1 ZINC001460709368 1069109594 /nfs/dbraw/zinc/10/95/94/1069109594.db2.gz MNCIEABOPRSREC-QGZVFWFLSA-N 2 2 378.476 3.846 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+]3CCN(c4cc[nH+]cc4)[C@H](C)C3)co2)cc1 ZINC001460709368 1069109605 /nfs/dbraw/zinc/10/96/05/1069109605.db2.gz MNCIEABOPRSREC-QGZVFWFLSA-N 2 2 378.476 3.846 20 0 GHADLP CC1(C)CO[C@@H](C[NH+]2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)C1 ZINC001473529175 1074003429 /nfs/dbraw/zinc/00/34/29/1074003429.db2.gz SYXVDBNEZVGIHK-OAQYLSRUSA-N 2 2 391.987 3.742 20 0 GHADLP Cn1c[nH+]cc1CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1 ZINC001473789235 1074143347 /nfs/dbraw/zinc/14/33/47/1074143347.db2.gz DIAXYVJDAWSAIW-UHFFFAOYSA-N 2 2 392.931 3.643 20 0 GHADLP Cn1c[nH+]cc1CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1 ZINC001473789235 1074143348 /nfs/dbraw/zinc/14/33/48/1074143348.db2.gz DIAXYVJDAWSAIW-UHFFFAOYSA-N 2 2 392.931 3.643 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc3cc[nH]c3c2)C1 ZINC001473897374 1074194853 /nfs/dbraw/zinc/19/48/53/1074194853.db2.gz KBBDYRRSJHZYHM-RTBURBONSA-N 2 2 396.535 3.739 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc3cc[nH]c3c2)C1 ZINC001473897374 1074194855 /nfs/dbraw/zinc/19/48/55/1074194855.db2.gz KBBDYRRSJHZYHM-RTBURBONSA-N 2 2 396.535 3.739 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cnc(-c4ccccc4)[nH]3)CC2)cc1 ZINC001474023049 1074238959 /nfs/dbraw/zinc/23/89/59/1074238959.db2.gz OEFLMIMOBKUQQQ-UHFFFAOYSA-N 2 2 375.520 3.901 20 0 GHADLP COc1cc2c(c(C[NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)c1)O[C@H](C)C2 ZINC001474022828 1074239302 /nfs/dbraw/zinc/23/93/02/1074239302.db2.gz HZWVHZKJWVBJND-QGZVFWFLSA-N 2 2 395.547 3.843 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC001474068426 1074253213 /nfs/dbraw/zinc/25/32/13/1074253213.db2.gz WRYCUPPYHRYWKQ-DLBZAZTESA-N 2 2 390.421 3.582 20 0 GHADLP CCn1cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(-c2ccccc2)n1 ZINC001474076843 1074256259 /nfs/dbraw/zinc/25/62/59/1074256259.db2.gz KDIMWFUBMBRFHY-OAQYLSRUSA-N 2 2 390.535 3.717 20 0 GHADLP Brc1c[nH]c(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001474083157 1074258385 /nfs/dbraw/zinc/25/83/85/1074258385.db2.gz MTUBVNNXXFAJPY-IXDOHACOSA-N 2 2 389.341 3.563 20 0 GHADLP Brc1c[nH]c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001474083157 1074258389 /nfs/dbraw/zinc/25/83/89/1074258389.db2.gz MTUBVNNXXFAJPY-IXDOHACOSA-N 2 2 389.341 3.563 20 0 GHADLP Cc1ccc(NCc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)c(N(C)C)[nH+]1 ZINC001474098053 1074263207 /nfs/dbraw/zinc/26/32/07/1074263207.db2.gz XLVCSPZDLBAYHD-UHFFFAOYSA-N 2 2 385.899 3.997 20 0 GHADLP Fc1ncc(Br)cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001474486935 1074427401 /nfs/dbraw/zinc/42/74/01/1074427401.db2.gz ANNTWGZEOXIUSJ-OAHLLOKOSA-N 2 2 378.289 3.595 20 0 GHADLP Fc1ncc(Br)cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001474486935 1074427402 /nfs/dbraw/zinc/42/74/02/1074427402.db2.gz ANNTWGZEOXIUSJ-OAHLLOKOSA-N 2 2 378.289 3.595 20 0 GHADLP C[NH+]1CCC([N@H+](CCC[C@H]2CCO2)Cc2ccccc2Br)CC1 ZINC001474558182 1074463512 /nfs/dbraw/zinc/46/35/12/1074463512.db2.gz PUTGBZNMIGYBMG-SFHVURJKSA-N 2 2 381.358 3.914 20 0 GHADLP C[NH+]1CCC([N@@H+](CCC[C@H]2CCO2)Cc2ccccc2Br)CC1 ZINC001474558182 1074463519 /nfs/dbraw/zinc/46/35/19/1074463519.db2.gz PUTGBZNMIGYBMG-SFHVURJKSA-N 2 2 381.358 3.914 20 0 GHADLP COc1ncc(Br)cc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC001474632171 1074491729 /nfs/dbraw/zinc/49/17/29/1074491729.db2.gz VOQKPRFUYHZTBQ-KSSFIOAISA-N 2 2 396.373 3.985 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC001474682836 1074512725 /nfs/dbraw/zinc/51/27/25/1074512725.db2.gz RIBZUIDWXSKWBG-YZGWKJHDSA-N 2 2 384.524 3.860 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC000824548727 609144058 /nfs/dbraw/zinc/14/40/58/609144058.db2.gz YXXMULFTXOZAGZ-JKSUJKDBSA-N 2 2 394.498 3.882 20 0 GHADLP C[C@H](CC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000824585040 609147876 /nfs/dbraw/zinc/14/78/76/609147876.db2.gz MHCQYHBQKPFGBK-CVEARBPZSA-N 2 2 382.487 3.567 20 0 GHADLP C[C@H](CC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000824585040 609147878 /nfs/dbraw/zinc/14/78/78/609147878.db2.gz MHCQYHBQKPFGBK-CVEARBPZSA-N 2 2 382.487 3.567 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000824532521 609338048 /nfs/dbraw/zinc/33/80/48/609338048.db2.gz VJTMDUNZAHQLSZ-KBPBESRZSA-N 2 2 377.427 3.603 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000824941612 609424958 /nfs/dbraw/zinc/42/49/58/609424958.db2.gz YYBCAIQLYCFXGV-IAGOWNOFSA-N 2 2 391.523 3.506 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000824941612 609424960 /nfs/dbraw/zinc/42/49/60/609424960.db2.gz YYBCAIQLYCFXGV-IAGOWNOFSA-N 2 2 391.523 3.506 20 0 GHADLP C[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)[C@@H](C)C[N@@H+]1C ZINC001164638485 719236575 /nfs/dbraw/zinc/23/65/75/719236575.db2.gz ZYAYURPHCKAWSL-CVEARBPZSA-N 2 2 399.608 3.695 20 0 GHADLP C[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)[C@@H](C)C[N@H+]1C ZINC001164638485 719236576 /nfs/dbraw/zinc/23/65/76/719236576.db2.gz ZYAYURPHCKAWSL-CVEARBPZSA-N 2 2 399.608 3.695 20 0 GHADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000508339512 719247277 /nfs/dbraw/zinc/24/72/77/719247277.db2.gz OHZFWNWXZIUENV-JKSUJKDBSA-N 2 2 395.576 3.949 20 0 GHADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000508339512 719247280 /nfs/dbraw/zinc/24/72/80/719247280.db2.gz OHZFWNWXZIUENV-JKSUJKDBSA-N 2 2 395.576 3.949 20 0 GHADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(C(C)(C)C)[nH+]1 ZINC001164836200 720615465 /nfs/dbraw/zinc/61/54/65/720615465.db2.gz FGIZBGOIRKDGOJ-HSALFYBXSA-N 2 2 396.583 3.657 20 0 GHADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C(C)(C)C)[nH+]1 ZINC001164836200 720615478 /nfs/dbraw/zinc/61/54/78/720615478.db2.gz FGIZBGOIRKDGOJ-HSALFYBXSA-N 2 2 396.583 3.657 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(C(C)(C)C)c[nH+]3)CC[C@@H]21 ZINC001164843706 720646793 /nfs/dbraw/zinc/64/67/93/720646793.db2.gz XASVLTPMHHLWCX-JBACZVJFSA-N 2 2 381.568 3.953 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(C(C)(C)C)c[nH+]3)CC[C@@H]21 ZINC001164843706 720646805 /nfs/dbraw/zinc/64/68/05/720646805.db2.gz XASVLTPMHHLWCX-JBACZVJFSA-N 2 2 381.568 3.953 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cccc(C4CC4)[nH+]3)C2)C1 ZINC001164779840 721375129 /nfs/dbraw/zinc/37/51/29/721375129.db2.gz CQXYVJPVCHNIIB-HSZRJFAPSA-N 2 2 396.535 3.683 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cccc(C4CC4)[nH+]3)C2)C1 ZINC001164779840 721375130 /nfs/dbraw/zinc/37/51/30/721375130.db2.gz CQXYVJPVCHNIIB-HSZRJFAPSA-N 2 2 396.535 3.683 20 0 GHADLP C[C@H](CCc1ccc(Br)cc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655698027 837687794 /nfs/dbraw/zinc/68/77/94/837687794.db2.gz ZKAAGEJCIBGOET-BEFAXECRSA-N 2 2 381.358 3.613 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1)C1CCCCC1 ZINC000655699629 837689369 /nfs/dbraw/zinc/68/93/69/837689369.db2.gz GQAZZFGUPDGBQA-HSZRJFAPSA-N 2 2 399.579 3.938 20 0 GHADLP CC[NH+]1CCC([NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)CC1 ZINC000655713662 837706904 /nfs/dbraw/zinc/70/69/04/837706904.db2.gz RIHQHYHWVYUSQN-UHFFFAOYSA-N 2 2 377.330 3.517 20 0 GHADLP CC[C@@H](Cc1ccccc1Br)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655733346 837769227 /nfs/dbraw/zinc/76/92/27/837769227.db2.gz LOMZFUACLXBARV-FUHWJXTLSA-N 2 2 381.358 3.613 20 0 GHADLP COc1cccc(C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000655733178 837769759 /nfs/dbraw/zinc/76/97/59/837769759.db2.gz JXYROQOZQHMKPP-LADGPHEKSA-N 2 2 380.532 3.822 20 0 GHADLP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000278289739 834535113 /nfs/dbraw/zinc/53/51/13/834535113.db2.gz QUHITAWONYIPEW-IXDOHACOSA-N 2 2 386.492 3.526 20 0 GHADLP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000278289739 834535122 /nfs/dbraw/zinc/53/51/22/834535122.db2.gz QUHITAWONYIPEW-IXDOHACOSA-N 2 2 386.492 3.526 20 0 GHADLP Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)sc1-c1ccccc1 ZINC000654775015 834544797 /nfs/dbraw/zinc/54/47/97/834544797.db2.gz BGPHASJNVSVGJC-GOSISDBHSA-N 2 2 383.561 3.622 20 0 GHADLP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)sc1-c1ccccc1 ZINC000654775015 834544804 /nfs/dbraw/zinc/54/48/04/834544804.db2.gz BGPHASJNVSVGJC-GOSISDBHSA-N 2 2 383.561 3.622 20 0 GHADLP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000536083297 834725193 /nfs/dbraw/zinc/72/51/93/834725193.db2.gz SOIVTKRVTSIMKR-ROUUACIJSA-N 2 2 393.535 3.986 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000616381031 834726220 /nfs/dbraw/zinc/72/62/20/834726220.db2.gz HNSUNECWXWKPHZ-LADGPHEKSA-N 2 2 397.607 3.664 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000616381031 834726228 /nfs/dbraw/zinc/72/62/28/834726228.db2.gz HNSUNECWXWKPHZ-LADGPHEKSA-N 2 2 397.607 3.664 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)[NH+](CC)CC)cc1 ZINC000458800612 834781237 /nfs/dbraw/zinc/78/12/37/834781237.db2.gz WJZWXCVKCUEOIZ-JOCHJYFZSA-N 2 2 397.567 3.944 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)[NH+](CC)CC)cc1 ZINC000458800612 834781241 /nfs/dbraw/zinc/78/12/41/834781241.db2.gz WJZWXCVKCUEOIZ-JOCHJYFZSA-N 2 2 397.567 3.944 20 0 GHADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583822015 835094744 /nfs/dbraw/zinc/09/47/44/835094744.db2.gz YYMZIHXXNCAYKW-GOSISDBHSA-N 2 2 394.906 3.664 20 0 GHADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583822015 835094756 /nfs/dbraw/zinc/09/47/56/835094756.db2.gz YYMZIHXXNCAYKW-GOSISDBHSA-N 2 2 394.906 3.664 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]CCCn2cc(Br)cn2)C[N@H+](Cc2ccccc2)C1 ZINC000583839846 835124406 /nfs/dbraw/zinc/12/44/06/835124406.db2.gz ZYBZYFRWIIOYSQ-QFBILLFUSA-N 2 2 391.357 3.536 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]CCCn2cc(Br)cn2)C[N@@H+](Cc2ccccc2)C1 ZINC000583839846 835124409 /nfs/dbraw/zinc/12/44/09/835124409.db2.gz ZYBZYFRWIIOYSQ-QFBILLFUSA-N 2 2 391.357 3.536 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Br)cn1 ZINC000579821766 835190268 /nfs/dbraw/zinc/19/02/68/835190268.db2.gz SOEOGYYWNBTENF-XJKSGUPXSA-N 2 2 390.329 3.553 20 0 GHADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000583891561 835204798 /nfs/dbraw/zinc/20/47/98/835204798.db2.gz ASJYDDSCLNJZSR-UHFFFAOYSA-N 2 2 380.536 3.802 20 0 GHADLP CN(c1ccccc1C[N@@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000430219336 835218134 /nfs/dbraw/zinc/21/81/34/835218134.db2.gz NQLUNONTWWNCJJ-IBGZPJMESA-N 2 2 399.501 3.759 20 0 GHADLP CN(c1ccccc1C[N@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000430219336 835218139 /nfs/dbraw/zinc/21/81/39/835218139.db2.gz NQLUNONTWWNCJJ-IBGZPJMESA-N 2 2 399.501 3.759 20 0 GHADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1NC(C)=O ZINC000151347358 835387629 /nfs/dbraw/zinc/38/76/29/835387629.db2.gz JNQSGOLVLVKULS-INIZCTEOSA-N 2 2 378.476 3.749 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090017 835414442 /nfs/dbraw/zinc/41/44/42/835414442.db2.gz CVZOJSWOHIXVAL-XJKSGUPXSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090017 835414449 /nfs/dbraw/zinc/41/44/49/835414449.db2.gz CVZOJSWOHIXVAL-XJKSGUPXSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090016 835414754 /nfs/dbraw/zinc/41/47/54/835414754.db2.gz CVZOJSWOHIXVAL-CZUORRHYSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090016 835414757 /nfs/dbraw/zinc/41/47/57/835414757.db2.gz CVZOJSWOHIXVAL-CZUORRHYSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090143 835415789 /nfs/dbraw/zinc/41/57/89/835415789.db2.gz DUSBQKPKEKDXRV-UKRRQHHQSA-N 2 2 387.446 3.765 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090143 835415793 /nfs/dbraw/zinc/41/57/93/835415793.db2.gz DUSBQKPKEKDXRV-UKRRQHHQSA-N 2 2 387.446 3.765 20 0 GHADLP COc1cc2ccc([C@@H](C)[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2cc1OC ZINC000658295594 835561067 /nfs/dbraw/zinc/56/10/67/835561067.db2.gz NZFUDNMVRFYHKV-IERDGZPVSA-N 2 2 384.520 3.761 20 0 GHADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000151873073 835978296 /nfs/dbraw/zinc/97/82/96/835978296.db2.gz IIJAAXIUDRNNNG-BVYCBKJFSA-N 2 2 395.551 3.531 20 0 GHADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000151873073 835978309 /nfs/dbraw/zinc/97/83/09/835978309.db2.gz IIJAAXIUDRNNNG-BVYCBKJFSA-N 2 2 395.551 3.531 20 0 GHADLP C[C@@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000109783786 836685099 /nfs/dbraw/zinc/68/50/99/836685099.db2.gz WQBUGPCQVSONPC-KRWDZBQOSA-N 2 2 399.560 3.573 20 0 GHADLP C[C@@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000109783786 836685102 /nfs/dbraw/zinc/68/51/02/836685102.db2.gz WQBUGPCQVSONPC-KRWDZBQOSA-N 2 2 399.560 3.573 20 0 GHADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000175270002 836750327 /nfs/dbraw/zinc/75/03/27/836750327.db2.gz QBOIFBPHQYLAAB-NRFANRHFSA-N 2 2 388.515 3.857 20 0 GHADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000175270002 836750336 /nfs/dbraw/zinc/75/03/36/836750336.db2.gz QBOIFBPHQYLAAB-NRFANRHFSA-N 2 2 388.515 3.857 20 0 GHADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000376087409 836828852 /nfs/dbraw/zinc/82/88/52/836828852.db2.gz YAZPGEMISLHDAD-AZUAARDMSA-N 2 2 381.568 3.771 20 0 GHADLP Brc1ccc(CN(CCC[NH+]2CCCCC2)CCn2cc[nH+]c2)o1 ZINC000510953666 844240628 /nfs/dbraw/zinc/24/06/28/844240628.db2.gz REHHIYWYKFPEDU-UHFFFAOYSA-N 2 2 395.345 3.617 20 0 GHADLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1csc(-c2ccccc2)n1 ZINC000414068998 837360549 /nfs/dbraw/zinc/36/05/49/837360549.db2.gz KEUNHVGHRLCOQP-KRWDZBQOSA-N 2 2 393.560 3.808 20 0 GHADLP CCCCc1noc([C@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000177481646 837979651 /nfs/dbraw/zinc/97/96/51/837979651.db2.gz VUSHWBAAUOYXQP-KSZLIROESA-N 2 2 378.561 3.685 20 0 GHADLP CCCCc1noc([C@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000177481646 837979654 /nfs/dbraw/zinc/97/96/54/837979654.db2.gz VUSHWBAAUOYXQP-KSZLIROESA-N 2 2 378.561 3.685 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000893080729 837984874 /nfs/dbraw/zinc/98/48/74/837984874.db2.gz SFGLRNWKXJZLCB-UHOSZYNNSA-N 2 2 384.524 3.597 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000549801075 844303910 /nfs/dbraw/zinc/30/39/10/844303910.db2.gz OQSMPAWKVKKCSX-NRFANRHFSA-N 2 2 381.568 3.972 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000549801075 844303921 /nfs/dbraw/zinc/30/39/21/844303921.db2.gz OQSMPAWKVKKCSX-NRFANRHFSA-N 2 2 381.568 3.972 20 0 GHADLP Cc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000052212721 844308549 /nfs/dbraw/zinc/30/85/49/844308549.db2.gz QEJSESAJORTILI-HSZRJFAPSA-N 2 2 393.531 3.603 20 0 GHADLP Cc1ccccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000052212721 844308556 /nfs/dbraw/zinc/30/85/56/844308556.db2.gz QEJSESAJORTILI-HSZRJFAPSA-N 2 2 393.531 3.603 20 0 GHADLP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000415941197 838293422 /nfs/dbraw/zinc/29/34/22/838293422.db2.gz FMQWUJWSARIDNN-UHFFFAOYSA-N 2 2 386.565 3.770 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC000376680936 838622887 /nfs/dbraw/zinc/62/28/87/838622887.db2.gz PCKYVRIYHNMRPS-RXVVDRJESA-N 2 2 380.536 3.591 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)CC2 ZINC000376680936 838622892 /nfs/dbraw/zinc/62/28/92/838622892.db2.gz PCKYVRIYHNMRPS-RXVVDRJESA-N 2 2 380.536 3.591 20 0 GHADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000378278487 838753332 /nfs/dbraw/zinc/75/33/32/838753332.db2.gz YBTDVRMVKVYDER-NRFANRHFSA-N 2 2 396.560 3.544 20 0 GHADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000378278487 838753337 /nfs/dbraw/zinc/75/33/37/838753337.db2.gz YBTDVRMVKVYDER-NRFANRHFSA-N 2 2 396.560 3.544 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000549409503 838754392 /nfs/dbraw/zinc/75/43/92/838754392.db2.gz ZGFRSBYKBAIHIN-QFIPXVFZSA-N 2 2 389.547 3.838 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000549409503 838754401 /nfs/dbraw/zinc/75/44/01/838754401.db2.gz ZGFRSBYKBAIHIN-QFIPXVFZSA-N 2 2 389.547 3.838 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549409503 838754408 /nfs/dbraw/zinc/75/44/08/838754408.db2.gz ZGFRSBYKBAIHIN-QFIPXVFZSA-N 2 2 389.547 3.838 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549409503 838754413 /nfs/dbraw/zinc/75/44/13/838754413.db2.gz ZGFRSBYKBAIHIN-QFIPXVFZSA-N 2 2 389.547 3.838 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000378435833 839111594 /nfs/dbraw/zinc/11/15/94/839111594.db2.gz BDXTVTJKEJJWGP-FQEVSTJZSA-N 2 2 390.524 3.674 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000378435833 839111598 /nfs/dbraw/zinc/11/15/98/839111598.db2.gz BDXTVTJKEJJWGP-FQEVSTJZSA-N 2 2 390.524 3.674 20 0 GHADLP [NH3+]C[C@@H](NC1CC[NH+](Cc2ccccc2Br)CC1)C1CCCC1 ZINC000415066124 839144659 /nfs/dbraw/zinc/14/46/59/839144659.db2.gz NXPCVFUTELVDKQ-LJQANCHMSA-N 2 2 380.374 3.521 20 0 GHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000415065864 839145211 /nfs/dbraw/zinc/14/52/11/839145211.db2.gz NSPZUMBIOVCEMI-KRWDZBQOSA-N 2 2 382.426 3.988 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000124682271 839156417 /nfs/dbraw/zinc/15/64/17/839156417.db2.gz SGDPETNYHVAZIX-VDGAXYAQSA-N 2 2 377.598 3.647 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000124682271 839156421 /nfs/dbraw/zinc/15/64/21/839156421.db2.gz SGDPETNYHVAZIX-VDGAXYAQSA-N 2 2 377.598 3.647 20 0 GHADLP O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@H](C1CC1)[NH+]1CCCC1 ZINC000125877239 839781247 /nfs/dbraw/zinc/78/12/47/839781247.db2.gz SPCBBLLUVBARLA-FQEVSTJZSA-N 2 2 396.560 3.514 20 0 GHADLP O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@H](C1CC1)[NH+]1CCCC1 ZINC000125877239 839781264 /nfs/dbraw/zinc/78/12/64/839781264.db2.gz SPCBBLLUVBARLA-FQEVSTJZSA-N 2 2 396.560 3.514 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000656262004 839908948 /nfs/dbraw/zinc/90/89/48/839908948.db2.gz OXOZTDJMLFVYNI-IFXJQAMLSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000656262004 839908952 /nfs/dbraw/zinc/90/89/52/839908952.db2.gz OXOZTDJMLFVYNI-IFXJQAMLSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000656262004 839908957 /nfs/dbraw/zinc/90/89/57/839908957.db2.gz OXOZTDJMLFVYNI-IFXJQAMLSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000656262004 839908961 /nfs/dbraw/zinc/90/89/61/839908961.db2.gz OXOZTDJMLFVYNI-IFXJQAMLSA-N 2 2 391.357 3.715 20 0 GHADLP Fc1cccc(-n2ccc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)n2)c1 ZINC000684005518 839926852 /nfs/dbraw/zinc/92/68/52/839926852.db2.gz RLWVILAFQRNKEA-UHFFFAOYSA-N 2 2 379.483 3.924 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000276988606 844528041 /nfs/dbraw/zinc/52/80/41/844528041.db2.gz ICUFKHLUJGSHTA-UHFFFAOYSA-N 2 2 397.567 3.663 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000581067440 840659628 /nfs/dbraw/zinc/65/96/28/840659628.db2.gz BLPUXDXQZUWWJB-NRFANRHFSA-N 2 2 380.536 3.656 20 0 GHADLP Cc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1Oc1cccnc1 ZINC000584729839 840692015 /nfs/dbraw/zinc/69/20/15/840692015.db2.gz FUPQWZVKKKCLPX-NRFANRHFSA-N 2 2 381.520 3.869 20 0 GHADLP Cc1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1Oc1cccnc1 ZINC000584729839 840692018 /nfs/dbraw/zinc/69/20/18/840692018.db2.gz FUPQWZVKKKCLPX-NRFANRHFSA-N 2 2 381.520 3.869 20 0 GHADLP Cc1cc(C)c(CNC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c[nH+]1 ZINC000652101383 840743315 /nfs/dbraw/zinc/74/33/15/840743315.db2.gz MQZKCMMETJVXDZ-UHFFFAOYSA-N 2 2 380.536 3.930 20 0 GHADLP O[C@@H](COc1ccc2ccccc2c1)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660672628 841082743 /nfs/dbraw/zinc/08/27/43/841082743.db2.gz AFCICBLRFXNBQM-XMMPIXPASA-N 2 2 390.527 3.834 20 0 GHADLP CC[NH2+]CC1CC[NH+](CC(=O)Nc2c(Cl)cccc2C(F)(F)F)CC1 ZINC000430574574 841199161 /nfs/dbraw/zinc/19/91/61/841199161.db2.gz SYZHTIQODYOENU-UHFFFAOYSA-N 2 2 377.838 3.619 20 0 GHADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ncc(-c3ccc(Br)cc3)o1)C2 ZINC000652352409 842341946 /nfs/dbraw/zinc/34/19/46/842341946.db2.gz SJMJKMJKMNQKIO-KSSFIOAISA-N 2 2 376.298 3.665 20 0 GHADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(-c3ccc(Br)cc3)o1)C2 ZINC000652352409 842341957 /nfs/dbraw/zinc/34/19/57/842341957.db2.gz SJMJKMJKMNQKIO-KSSFIOAISA-N 2 2 376.298 3.665 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000432420269 842436315 /nfs/dbraw/zinc/43/63/15/842436315.db2.gz AMFGMTFYRPBCBI-PPSBMQLTSA-N 2 2 397.485 3.661 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000432420269 842436319 /nfs/dbraw/zinc/43/63/19/842436319.db2.gz AMFGMTFYRPBCBI-PPSBMQLTSA-N 2 2 397.485 3.661 20 0 GHADLP CC(C)C[C@H]([NH3+])c1noc([C@@H]([NH3+])Cc2ccc(OCc3ccccc3)cc2)n1 ZINC000663251912 842901669 /nfs/dbraw/zinc/90/16/69/842901669.db2.gz YAFDDXSITOXXLI-PMACEKPBSA-N 2 2 380.492 3.937 20 0 GHADLP Brc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cn2)cc1 ZINC000510538359 842924293 /nfs/dbraw/zinc/92/42/93/842924293.db2.gz LOXCNQNADNLVNU-OAHLLOKOSA-N 2 2 386.297 3.738 20 0 GHADLP Brc1ccc(-n2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cn2)cc1 ZINC000510538359 842924300 /nfs/dbraw/zinc/92/43/00/842924300.db2.gz LOXCNQNADNLVNU-OAHLLOKOSA-N 2 2 386.297 3.738 20 0 GHADLP COc1ccc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(OC)c1OC ZINC000178556568 861382601 /nfs/dbraw/zinc/38/26/01/861382601.db2.gz AMXBGOUMBBUKGB-INIZCTEOSA-N 2 2 381.476 3.791 20 0 GHADLP CN(C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C(c1ccccc1)c1ccccc1 ZINC000555598155 861383693 /nfs/dbraw/zinc/38/36/93/861383693.db2.gz PEUZIHIULQLBAT-VWLOTQADSA-N 2 2 391.559 3.652 20 0 GHADLP CN(C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C(c1ccccc1)c1ccccc1 ZINC000555598155 861383704 /nfs/dbraw/zinc/38/37/04/861383704.db2.gz PEUZIHIULQLBAT-VWLOTQADSA-N 2 2 391.559 3.652 20 0 GHADLP CN(C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)C(c1ccccc1)c1ccccc1 ZINC000555598155 861383715 /nfs/dbraw/zinc/38/37/15/861383715.db2.gz PEUZIHIULQLBAT-VWLOTQADSA-N 2 2 391.559 3.652 20 0 GHADLP CN(C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)C(c1ccccc1)c1ccccc1 ZINC000555598155 861383722 /nfs/dbraw/zinc/38/37/22/861383722.db2.gz PEUZIHIULQLBAT-VWLOTQADSA-N 2 2 391.559 3.652 20 0 GHADLP C[NH2+][C@@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1cccc(Cl)c1Cl ZINC000662378883 843178194 /nfs/dbraw/zinc/17/81/94/843178194.db2.gz JZDAHOZWNYIHBF-GOEBONIOSA-N 2 2 386.348 3.735 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244835 843199112 /nfs/dbraw/zinc/19/91/12/843199112.db2.gz PMOHAQAPYJCBSW-KIFXHHALSA-N 2 2 383.580 3.764 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244835 843199118 /nfs/dbraw/zinc/19/91/18/843199118.db2.gz PMOHAQAPYJCBSW-KIFXHHALSA-N 2 2 383.580 3.764 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512244835 843199119 /nfs/dbraw/zinc/19/91/19/843199119.db2.gz PMOHAQAPYJCBSW-KIFXHHALSA-N 2 2 383.580 3.764 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512244835 843199122 /nfs/dbraw/zinc/19/91/22/843199122.db2.gz PMOHAQAPYJCBSW-KIFXHHALSA-N 2 2 383.580 3.764 20 0 GHADLP C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000510763487 843417154 /nfs/dbraw/zinc/41/71/54/843417154.db2.gz KMJVWNOWQPERJL-LPHOPBHVSA-N 2 2 375.419 3.528 20 0 GHADLP C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000510763487 843417158 /nfs/dbraw/zinc/41/71/58/843417158.db2.gz KMJVWNOWQPERJL-LPHOPBHVSA-N 2 2 375.419 3.528 20 0 GHADLP C[NH+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000510763487 843417165 /nfs/dbraw/zinc/41/71/65/843417165.db2.gz KMJVWNOWQPERJL-LPHOPBHVSA-N 2 2 375.419 3.528 20 0 GHADLP C[NH+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000510763487 843417170 /nfs/dbraw/zinc/41/71/70/843417170.db2.gz KMJVWNOWQPERJL-LPHOPBHVSA-N 2 2 375.419 3.528 20 0 GHADLP O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052003857 843841670 /nfs/dbraw/zinc/84/16/70/843841670.db2.gz RJDHRABVQCEZBL-KRWDZBQOSA-N 2 2 387.351 3.683 20 0 GHADLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(-c3cccs3)cc2)CC1 ZINC000512846134 843880152 /nfs/dbraw/zinc/88/01/52/843880152.db2.gz YBFXUBRKNHTLOC-UHFFFAOYSA-N 2 2 388.577 3.974 20 0 GHADLP C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000500727267 843894560 /nfs/dbraw/zinc/89/45/60/843894560.db2.gz AZVBYEFOZYUBCE-FPOVZHCZSA-N 2 2 398.595 3.523 20 0 GHADLP C[C@@H](OC[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000052003885 843963957 /nfs/dbraw/zinc/96/39/57/843963957.db2.gz WOCAJCNOJIYWSL-DYESRHJHSA-N 2 2 380.960 3.729 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000433297802 843985688 /nfs/dbraw/zinc/98/56/88/843985688.db2.gz MJFOQLSUELRDKS-DNVFCKCGSA-N 2 2 395.547 3.927 20 0 GHADLP Cc1ccc(N2CCC[C@@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2=O)cc1 ZINC000237909583 843986811 /nfs/dbraw/zinc/98/68/11/843986811.db2.gz XEFIPLXNCJSRKK-XMMPIXPASA-N 2 2 391.559 3.787 20 0 GHADLP Cn1c[nH+]cc1CCC(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000899672075 861482372 /nfs/dbraw/zinc/48/23/72/861482372.db2.gz OWTHCVLXTLNGCD-UHFFFAOYSA-N 2 2 380.414 3.606 20 0 GHADLP Cc1cccn2cc(CCNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)[nH+]c12 ZINC000673724216 861488353 /nfs/dbraw/zinc/48/83/53/861488353.db2.gz JYOPUCJEEIIKRJ-UHFFFAOYSA-N 2 2 376.504 3.601 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000152110332 844742358 /nfs/dbraw/zinc/74/23/58/844742358.db2.gz JPMSIBNECVJZMJ-QGZVFWFLSA-N 2 2 398.532 3.544 20 0 GHADLP c1cc(-c2ccccc2)oc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000121680565 845047476 /nfs/dbraw/zinc/04/74/76/845047476.db2.gz UISRAGBVWBUKQP-UHFFFAOYSA-N 2 2 392.499 3.947 20 0 GHADLP Fc1ccccc1N1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000513360805 845280680 /nfs/dbraw/zinc/28/06/80/845280680.db2.gz FLJKKAUBXKBQMA-JOCHJYFZSA-N 2 2 397.538 3.629 20 0 GHADLP Fc1ccccc1N1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000513360805 845280685 /nfs/dbraw/zinc/28/06/85/845280685.db2.gz FLJKKAUBXKBQMA-JOCHJYFZSA-N 2 2 397.538 3.629 20 0 GHADLP Fc1ccccc1N1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000513360805 845280690 /nfs/dbraw/zinc/28/06/90/845280690.db2.gz FLJKKAUBXKBQMA-JOCHJYFZSA-N 2 2 397.538 3.629 20 0 GHADLP Fc1ccccc1N1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000513360805 845280695 /nfs/dbraw/zinc/28/06/95/845280695.db2.gz FLJKKAUBXKBQMA-JOCHJYFZSA-N 2 2 397.538 3.629 20 0 GHADLP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc(C)ccc1OC ZINC000179414023 861569560 /nfs/dbraw/zinc/56/95/60/861569560.db2.gz UTVHJQJFUHTAIB-JOCHJYFZSA-N 2 2 398.547 3.956 20 0 GHADLP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3cccc(-c4ccncc4)c3)CCC[NH+]2C)cn1 ZINC000434012116 845725413 /nfs/dbraw/zinc/72/54/13/845725413.db2.gz OOHHUHVOGLBJIV-LADGPHEKSA-N 2 2 389.547 3.997 20 0 GHADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3cccc(-c4ccncc4)c3)CCC[NH+]2C)cn1 ZINC000434012116 845725421 /nfs/dbraw/zinc/72/54/21/845725421.db2.gz OOHHUHVOGLBJIV-LADGPHEKSA-N 2 2 389.547 3.997 20 0 GHADLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cccc(-c4ccncc4)c3)CCC[N@@H+]2C)cn1 ZINC000434012116 845725427 /nfs/dbraw/zinc/72/54/27/845725427.db2.gz OOHHUHVOGLBJIV-LADGPHEKSA-N 2 2 389.547 3.997 20 0 GHADLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cccc(-c4ccncc4)c3)CCC[N@H+]2C)cn1 ZINC000434012116 845725433 /nfs/dbraw/zinc/72/54/33/845725433.db2.gz OOHHUHVOGLBJIV-LADGPHEKSA-N 2 2 389.547 3.997 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(OC(F)F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434018722 845733690 /nfs/dbraw/zinc/73/36/90/845733690.db2.gz RLMBPRKXWGVMGN-FXAWDEMLSA-N 2 2 392.494 3.927 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(OC(F)F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434018722 845733693 /nfs/dbraw/zinc/73/36/93/845733693.db2.gz RLMBPRKXWGVMGN-FXAWDEMLSA-N 2 2 392.494 3.927 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(OC(F)F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434018722 845733699 /nfs/dbraw/zinc/73/36/99/845733699.db2.gz RLMBPRKXWGVMGN-FXAWDEMLSA-N 2 2 392.494 3.927 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(OC(F)F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434018722 845733704 /nfs/dbraw/zinc/73/37/04/845733704.db2.gz RLMBPRKXWGVMGN-FXAWDEMLSA-N 2 2 392.494 3.927 20 0 GHADLP Cc1nn(C(C)C)c(C)c1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000892150409 846069644 /nfs/dbraw/zinc/06/96/44/846069644.db2.gz LYOPHLISUUGPIZ-UHFFFAOYSA-N 3 2 389.632 3.709 20 0 GHADLP Cc1nn(C(C)C)c(C)c1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000892150409 846069647 /nfs/dbraw/zinc/06/96/47/846069647.db2.gz LYOPHLISUUGPIZ-UHFFFAOYSA-N 3 2 389.632 3.709 20 0 GHADLP CN(C(=O)CC1(C(F)(F)F)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502530562 846164205 /nfs/dbraw/zinc/16/42/05/846164205.db2.gz XUSFOBZTJXVGQD-DLBZAZTESA-N 2 2 389.506 3.515 20 0 GHADLP CN(C(=O)CC1(C(F)(F)F)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502530562 846164211 /nfs/dbraw/zinc/16/42/11/846164211.db2.gz XUSFOBZTJXVGQD-DLBZAZTESA-N 2 2 389.506 3.515 20 0 GHADLP C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502517351 846169864 /nfs/dbraw/zinc/16/98/64/846169864.db2.gz GRGQNKRMIDEEIU-WWPVKYPJSA-N 2 2 385.596 3.661 20 0 GHADLP C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502517351 846169867 /nfs/dbraw/zinc/16/98/67/846169867.db2.gz GRGQNKRMIDEEIU-WWPVKYPJSA-N 2 2 385.596 3.661 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@H](C(=O)OC(C)(C)C)CC[C@@H]3C)sc2C1 ZINC000421358359 846171243 /nfs/dbraw/zinc/17/12/43/846171243.db2.gz BTWWOELPODLZBP-JKSUJKDBSA-N 2 2 393.597 3.852 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@H](C(=O)OC(C)(C)C)CC[C@@H]3C)sc2C1 ZINC000421358359 846171246 /nfs/dbraw/zinc/17/12/46/846171246.db2.gz BTWWOELPODLZBP-JKSUJKDBSA-N 2 2 393.597 3.852 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@H](C(=O)OC(C)(C)C)CC[C@@H]3C)sc2C1 ZINC000421358359 846171248 /nfs/dbraw/zinc/17/12/48/846171248.db2.gz BTWWOELPODLZBP-JKSUJKDBSA-N 2 2 393.597 3.852 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@H](C(=O)OC(C)(C)C)CC[C@@H]3C)sc2C1 ZINC000421358359 846171252 /nfs/dbraw/zinc/17/12/52/846171252.db2.gz BTWWOELPODLZBP-JKSUJKDBSA-N 2 2 393.597 3.852 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000421372184 846184439 /nfs/dbraw/zinc/18/44/39/846184439.db2.gz KPTSCCUXUZAAFM-UHFFFAOYSA-N 2 2 387.465 3.837 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000421372184 846184446 /nfs/dbraw/zinc/18/44/46/846184446.db2.gz KPTSCCUXUZAAFM-UHFFFAOYSA-N 2 2 387.465 3.837 20 0 GHADLP O[C@]1(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC[N@H+](Cc2ccccc2)C1 ZINC000431354142 846311910 /nfs/dbraw/zinc/31/19/10/846311910.db2.gz WFQKWBXVCCODHS-ZCYQVOJMSA-N 2 2 392.543 3.616 20 0 GHADLP O[C@]1(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC[N@@H+](Cc2ccccc2)C1 ZINC000431354142 846311921 /nfs/dbraw/zinc/31/19/21/846311921.db2.gz WFQKWBXVCCODHS-ZCYQVOJMSA-N 2 2 392.543 3.616 20 0 GHADLP O[C@@]1(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC[N@H+](Cc2ccccc2)C1 ZINC000431354139 846312453 /nfs/dbraw/zinc/31/24/53/846312453.db2.gz WFQKWBXVCCODHS-UKILVPOCSA-N 2 2 392.543 3.616 20 0 GHADLP O[C@@]1(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC[N@@H+](Cc2ccccc2)C1 ZINC000431354139 846312461 /nfs/dbraw/zinc/31/24/61/846312461.db2.gz WFQKWBXVCCODHS-UKILVPOCSA-N 2 2 392.543 3.616 20 0 GHADLP Cc1cc(CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000421575424 846360458 /nfs/dbraw/zinc/36/04/58/846360458.db2.gz KELPKQVAABHUMD-FQEVSTJZSA-N 2 2 391.437 3.769 20 0 GHADLP Cc1cc(CNC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000421575424 846360464 /nfs/dbraw/zinc/36/04/64/846360464.db2.gz KELPKQVAABHUMD-FQEVSTJZSA-N 2 2 391.437 3.769 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cnn(C4CCCC4)c3)cc2)CC1 ZINC000502706204 846367783 /nfs/dbraw/zinc/36/77/83/846367783.db2.gz DWVNQNGAQSSOFM-FQEVSTJZSA-N 2 2 395.595 3.987 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](c3ccc(F)cc3)C(C)C)CC2)CC1 ZINC000422009541 846750198 /nfs/dbraw/zinc/75/01/98/846750198.db2.gz BGIZNMUBGUGDQR-JOCHJYFZSA-N 2 2 389.559 3.584 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](c3ccc(F)cc3)C(C)C)CC2)CC1 ZINC000422009541 846750203 /nfs/dbraw/zinc/75/02/03/846750203.db2.gz BGIZNMUBGUGDQR-JOCHJYFZSA-N 2 2 389.559 3.584 20 0 GHADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000503061938 846757619 /nfs/dbraw/zinc/75/76/19/846757619.db2.gz HQHJUJBZLCGLGB-DXIQSLLYSA-N 2 2 382.552 3.842 20 0 GHADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000503061938 846757637 /nfs/dbraw/zinc/75/76/37/846757637.db2.gz HQHJUJBZLCGLGB-DXIQSLLYSA-N 2 2 382.552 3.842 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000501294487 846808292 /nfs/dbraw/zinc/80/82/92/846808292.db2.gz FKOVPDBVOANOIU-UHFFFAOYSA-N 2 2 378.520 3.598 20 0 GHADLP CCCC1CCC(NC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000422154167 846858782 /nfs/dbraw/zinc/85/87/82/846858782.db2.gz HRUKGWBXWWKPCO-UHFFFAOYSA-N 2 2 378.605 3.547 20 0 GHADLP CCCC1CCC(NC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000422154167 846858789 /nfs/dbraw/zinc/85/87/89/846858789.db2.gz HRUKGWBXWWKPCO-UHFFFAOYSA-N 2 2 378.605 3.547 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000604069989 861749441 /nfs/dbraw/zinc/74/94/41/861749441.db2.gz XDBXUPQFZOAHMB-DEOSSOPVSA-N 3 2 393.575 3.915 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000604069989 861749452 /nfs/dbraw/zinc/74/94/52/861749452.db2.gz XDBXUPQFZOAHMB-DEOSSOPVSA-N 3 2 393.575 3.915 20 0 GHADLP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc2n1CCCCC2 ZINC000272677593 847143414 /nfs/dbraw/zinc/14/34/14/847143414.db2.gz RJAMNYOWSNJZST-NRSPTQNISA-N 2 2 381.568 3.956 20 0 GHADLP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc2n1CCCCC2 ZINC000272677593 847143428 /nfs/dbraw/zinc/14/34/28/847143428.db2.gz RJAMNYOWSNJZST-NRSPTQNISA-N 2 2 381.568 3.956 20 0 GHADLP C[N@H+](CCCCC(=O)OC(C)(C)C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000273286773 847294075 /nfs/dbraw/zinc/29/40/75/847294075.db2.gz DXUXAHSZMWHSAV-UHFFFAOYSA-N 2 2 375.557 3.532 20 0 GHADLP C[N@@H+](CCCCC(=O)OC(C)(C)C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000273286773 847294083 /nfs/dbraw/zinc/29/40/83/847294083.db2.gz DXUXAHSZMWHSAV-UHFFFAOYSA-N 2 2 375.557 3.532 20 0 GHADLP Cc1cc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000420848401 847485955 /nfs/dbraw/zinc/48/59/55/847485955.db2.gz MAPABWPUACRNPH-DHIUTWEWSA-N 2 2 392.547 3.895 20 0 GHADLP Cc1cc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000420848401 847485958 /nfs/dbraw/zinc/48/59/58/847485958.db2.gz MAPABWPUACRNPH-DHIUTWEWSA-N 2 2 392.547 3.895 20 0 GHADLP CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420901227 847519359 /nfs/dbraw/zinc/51/93/59/847519359.db2.gz KGWJEZFNKJCCAF-UHFFFAOYSA-N 2 2 395.547 3.678 20 0 GHADLP CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420901227 847519364 /nfs/dbraw/zinc/51/93/64/847519364.db2.gz KGWJEZFNKJCCAF-UHFFFAOYSA-N 2 2 395.547 3.678 20 0 GHADLP COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000420910307 847527716 /nfs/dbraw/zinc/52/77/16/847527716.db2.gz ZTKZFJJBEVBYLF-JOCHJYFZSA-N 2 2 396.531 3.873 20 0 GHADLP COc1ccc([C@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000420910307 847527725 /nfs/dbraw/zinc/52/77/25/847527725.db2.gz ZTKZFJJBEVBYLF-JOCHJYFZSA-N 2 2 396.531 3.873 20 0 GHADLP O=C(c1ccccc1)C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420908515 847528183 /nfs/dbraw/zinc/52/81/83/847528183.db2.gz WWAIAFISOOJNGY-UHFFFAOYSA-N 2 2 378.516 3.614 20 0 GHADLP OCC1([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc2)CCCC1 ZINC000420971774 847600504 /nfs/dbraw/zinc/60/05/04/847600504.db2.gz KTHIMYPWXNXNGB-XMMPIXPASA-N 2 2 394.559 3.902 20 0 GHADLP CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000503411710 847675749 /nfs/dbraw/zinc/67/57/49/847675749.db2.gz QQKIFYBKOCTECB-MOPGFXCFSA-N 2 2 380.536 3.840 20 0 GHADLP CCN(C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000503411710 847675756 /nfs/dbraw/zinc/67/57/56/847675756.db2.gz QQKIFYBKOCTECB-MOPGFXCFSA-N 2 2 380.536 3.840 20 0 GHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000180004627 861898827 /nfs/dbraw/zinc/89/88/27/861898827.db2.gz RZDRWOUGZNDRDX-INIZCTEOSA-N 2 2 391.357 3.799 20 0 GHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000180004627 861898844 /nfs/dbraw/zinc/89/88/44/861898844.db2.gz RZDRWOUGZNDRDX-INIZCTEOSA-N 2 2 391.357 3.799 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000180004627 861898856 /nfs/dbraw/zinc/89/88/56/861898856.db2.gz RZDRWOUGZNDRDX-INIZCTEOSA-N 2 2 391.357 3.799 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000180004627 861898871 /nfs/dbraw/zinc/89/88/71/861898871.db2.gz RZDRWOUGZNDRDX-INIZCTEOSA-N 2 2 391.357 3.799 20 0 GHADLP CC(C)[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000604164215 861912014 /nfs/dbraw/zinc/91/20/14/861912014.db2.gz BAOLKPAPHJQDIE-UYAOXDASSA-N 2 2 392.975 3.505 20 0 GHADLP CC(C)[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000604164215 861912029 /nfs/dbraw/zinc/91/20/29/861912029.db2.gz BAOLKPAPHJQDIE-UYAOXDASSA-N 2 2 392.975 3.505 20 0 GHADLP CC(C)Oc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cn1 ZINC000180084217 861942925 /nfs/dbraw/zinc/94/29/25/861942925.db2.gz MWVHQNCANMQRIC-UHFFFAOYSA-N 2 2 388.943 3.564 20 0 GHADLP C[C@H]([NH2+]CCNc1ccc(-c2ccccc2)nn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481668183 861973396 /nfs/dbraw/zinc/97/33/96/861973396.db2.gz KKBOJBUAHGJDHH-SFHVURJKSA-N 2 2 384.487 3.514 20 0 GHADLP Cc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000154058900 849177303 /nfs/dbraw/zinc/17/73/03/849177303.db2.gz WUBGTTCTUTUETB-NYVOZVTQSA-N 2 2 382.552 3.620 20 0 GHADLP Cc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000154058900 849177305 /nfs/dbraw/zinc/17/73/05/849177305.db2.gz WUBGTTCTUTUETB-NYVOZVTQSA-N 2 2 382.552 3.620 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NCC3CCCCC3)C2)s1 ZINC000583348653 849674894 /nfs/dbraw/zinc/67/48/94/849674894.db2.gz ZDFOTMOMWMERPM-ICSRJNTNSA-N 2 2 391.625 3.895 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)NCC3CCCCC3)C2)s1 ZINC000583348653 849674898 /nfs/dbraw/zinc/67/48/98/849674898.db2.gz ZDFOTMOMWMERPM-ICSRJNTNSA-N 2 2 391.625 3.895 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NCC3CCCCC3)C2)s1 ZINC000583348653 849674901 /nfs/dbraw/zinc/67/49/01/849674901.db2.gz ZDFOTMOMWMERPM-ICSRJNTNSA-N 2 2 391.625 3.895 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NCC3CCCCC3)C2)s1 ZINC000583348653 849674906 /nfs/dbraw/zinc/67/49/06/849674906.db2.gz ZDFOTMOMWMERPM-ICSRJNTNSA-N 2 2 391.625 3.895 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000423098940 849742963 /nfs/dbraw/zinc/74/29/63/849742963.db2.gz DLZGHAKLZCQMMI-OJFPFPAYSA-N 3 2 391.987 3.611 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423098940 849742971 /nfs/dbraw/zinc/74/29/71/849742971.db2.gz DLZGHAKLZCQMMI-OJFPFPAYSA-N 3 2 391.987 3.611 20 0 GHADLP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)C2)cc1F ZINC000503895150 849747239 /nfs/dbraw/zinc/74/72/39/849747239.db2.gz VCTANCZOCSUVAU-UZSDIVCKSA-N 2 2 383.511 3.976 20 0 GHADLP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)C2)cc1F ZINC000503895150 849747247 /nfs/dbraw/zinc/74/72/47/849747247.db2.gz VCTANCZOCSUVAU-UZSDIVCKSA-N 2 2 383.511 3.976 20 0 GHADLP [NH3+][C@H]1CCCCC[C@H]1NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000423183011 849775383 /nfs/dbraw/zinc/77/53/83/849775383.db2.gz MHBORDZYBDRAQZ-RBUKOAKNSA-N 2 2 380.374 3.663 20 0 GHADLP Cc1nc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)sc1Br ZINC000423162546 849778429 /nfs/dbraw/zinc/77/84/29/849778429.db2.gz UBJDSPRICAMKGW-CXAGYDPISA-N 2 2 394.338 3.560 20 0 GHADLP COc1ccc([C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2ccc(F)cc2)cc1 ZINC000423230331 849818132 /nfs/dbraw/zinc/81/81/32/849818132.db2.gz IZDREVKCDQFSNY-HSZRJFAPSA-N 2 2 392.478 3.840 20 0 GHADLP COc1ccc(CC[C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1O ZINC000426417165 850078716 /nfs/dbraw/zinc/07/87/16/850078716.db2.gz PRAUNFXQWVOYNZ-GOSISDBHSA-N 2 2 379.504 3.799 20 0 GHADLP CC[C@@H](C)[C@H]([NH2+]Cc1c[nH+]c(C)n1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000514735279 850237940 /nfs/dbraw/zinc/23/79/40/850237940.db2.gz YSGJGIAQEXTMSX-JPYJTQIMSA-N 2 2 396.579 3.714 20 0 GHADLP CCOc1c(OC)cc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435392603 850459342 /nfs/dbraw/zinc/45/93/42/850459342.db2.gz XMNSGKVOIRTAMM-HXUWFJFHSA-N 2 2 399.535 3.642 20 0 GHADLP CCOc1c(OC)cc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435392603 850459346 /nfs/dbraw/zinc/45/93/46/850459346.db2.gz XMNSGKVOIRTAMM-HXUWFJFHSA-N 2 2 399.535 3.642 20 0 GHADLP CCOc1cc(C[NH+]2CCC([NH3+])CC2)ccc1OCCOc1ccc(F)cc1 ZINC000435397601 850479947 /nfs/dbraw/zinc/47/99/47/850479947.db2.gz IFRRQUSESINUKT-UHFFFAOYSA-N 2 2 388.483 3.605 20 0 GHADLP Cc1ncsc1C[N@@H+](Cc1ccc(OCC(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC000435428279 850512412 /nfs/dbraw/zinc/51/24/12/850512412.db2.gz RGXTXWWKRPYPDK-INIZCTEOSA-N 2 2 381.492 3.707 20 0 GHADLP Cc1ncsc1C[N@H+](Cc1ccc(OCC(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC000435428279 850512421 /nfs/dbraw/zinc/51/24/21/850512421.db2.gz RGXTXWWKRPYPDK-INIZCTEOSA-N 2 2 381.492 3.707 20 0 GHADLP CCCOc1cc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)ccc1OC ZINC000435437319 850525297 /nfs/dbraw/zinc/52/52/97/850525297.db2.gz KGORYCPZPQRGAH-SFHVURJKSA-N 2 2 389.565 3.861 20 0 GHADLP CCCOc1cc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)ccc1OC ZINC000435437319 850525309 /nfs/dbraw/zinc/52/53/09/850525309.db2.gz KGORYCPZPQRGAH-SFHVURJKSA-N 2 2 389.565 3.861 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](CC(F)(F)F)O1 ZINC000668768447 850621375 /nfs/dbraw/zinc/62/13/75/850621375.db2.gz PNLZDPWSFLQWIA-LPHOPBHVSA-N 2 2 399.501 3.759 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](CC(F)(F)F)O1 ZINC000668768447 850621378 /nfs/dbraw/zinc/62/13/78/850621378.db2.gz PNLZDPWSFLQWIA-LPHOPBHVSA-N 2 2 399.501 3.759 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]3CCC3CCCC3)CC2)CC1 ZINC000487667084 850819290 /nfs/dbraw/zinc/81/92/90/850819290.db2.gz NYQADWXMCHJRGI-JOCHJYFZSA-N 2 2 390.616 3.689 20 0 GHADLP C[C@H](c1cccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1)[NH+]1CCOCC1 ZINC000522617208 862189651 /nfs/dbraw/zinc/18/96/51/862189651.db2.gz RCAHEEFLVFIUSS-YLJYHZDGSA-N 2 2 390.572 3.568 20 0 GHADLP CC(C)[NH+]1CCC(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CC1 ZINC000436025346 851111634 /nfs/dbraw/zinc/11/16/34/851111634.db2.gz GGZFNOMFWREGHL-UHFFFAOYSA-N 2 2 388.943 3.686 20 0 GHADLP CC[C@H](C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[NH+](CC)CC ZINC000436019021 851127980 /nfs/dbraw/zinc/12/79/80/851127980.db2.gz VBQQDKGXYUYIPE-LJQANCHMSA-N 2 2 376.932 3.686 20 0 GHADLP Cc1ncsc1C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC000436054614 851174748 /nfs/dbraw/zinc/17/47/48/851174748.db2.gz QFNLBKYASZKMAV-HNNXBMFYSA-N 2 2 399.482 3.961 20 0 GHADLP Cc1ncsc1C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC000436054614 851174754 /nfs/dbraw/zinc/17/47/54/851174754.db2.gz QFNLBKYASZKMAV-HNNXBMFYSA-N 2 2 399.482 3.961 20 0 GHADLP O[C@](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)(c1ccccc1)C(F)(F)F ZINC000162943478 862222418 /nfs/dbraw/zinc/22/24/18/862222418.db2.gz NFWLWGSPNYLQJH-OAQYLSRUSA-N 2 2 392.465 3.733 20 0 GHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000414847660 851300333 /nfs/dbraw/zinc/30/03/33/851300333.db2.gz PBYGWZYRKUTDJN-FQEVSTJZSA-N 2 2 392.503 3.761 20 0 GHADLP CC(C[NH+]1CCCC[C@H]1c1ccnn1C)C[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000281230022 851508560 /nfs/dbraw/zinc/50/85/60/851508560.db2.gz CEVNZWGOFHCURP-VXKWHMMOSA-N 2 2 384.572 3.544 20 0 GHADLP CC(C[NH+]1CCCC[C@H]1c1ccnn1C)C[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000281230022 851508570 /nfs/dbraw/zinc/50/85/70/851508570.db2.gz CEVNZWGOFHCURP-VXKWHMMOSA-N 2 2 384.572 3.544 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCCOCc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434727993 851547580 /nfs/dbraw/zinc/54/75/80/851547580.db2.gz HJPMGHQKRPWLMZ-JTHBVZDNSA-N 2 2 384.568 3.732 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCCOCc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434727993 851547584 /nfs/dbraw/zinc/54/75/84/851547584.db2.gz HJPMGHQKRPWLMZ-JTHBVZDNSA-N 2 2 384.568 3.732 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCCOCc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434727993 851547592 /nfs/dbraw/zinc/54/75/92/851547592.db2.gz HJPMGHQKRPWLMZ-JTHBVZDNSA-N 2 2 384.568 3.732 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCCOCc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434727993 851547605 /nfs/dbraw/zinc/54/76/05/851547605.db2.gz HJPMGHQKRPWLMZ-JTHBVZDNSA-N 2 2 384.568 3.732 20 0 GHADLP CC(C)n1ncnc1C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836371 851827598 /nfs/dbraw/zinc/82/75/98/851827598.db2.gz JLVPAAPLDGRXRL-JOCHJYFZSA-N 2 2 381.568 3.982 20 0 GHADLP CC(C)n1ncnc1C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836371 851827604 /nfs/dbraw/zinc/82/76/04/851827604.db2.gz JLVPAAPLDGRXRL-JOCHJYFZSA-N 2 2 381.568 3.982 20 0 GHADLP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000436469101 851955061 /nfs/dbraw/zinc/95/50/61/851955061.db2.gz ZBFJVYHVLSAINA-ISJGIBHGSA-N 2 2 394.559 3.960 20 0 GHADLP C[C@@H](c1nnc(SC[C@H]2CC[N@H+](C)C2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000473794787 852072291 /nfs/dbraw/zinc/07/22/91/852072291.db2.gz NFJHGLBHMMEWIB-ROUUACIJSA-N 2 2 385.581 3.858 20 0 GHADLP C[C@@H](c1nnc(SC[C@H]2CC[N@@H+](C)C2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000473794787 852072293 /nfs/dbraw/zinc/07/22/93/852072293.db2.gz NFJHGLBHMMEWIB-ROUUACIJSA-N 2 2 385.581 3.858 20 0 GHADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cccc(OCc3ccccc3F)c2)C[C@@H](C)O1 ZINC000517542838 852072470 /nfs/dbraw/zinc/07/24/70/852072470.db2.gz DSYUTOQDYNMVSN-RTBURBONSA-N 2 2 386.511 3.994 20 0 GHADLP CCOC(=O)[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000438318440 852261506 /nfs/dbraw/zinc/26/15/06/852261506.db2.gz DCJORTRAUXWLBC-QHCPKHFHSA-N 2 2 380.532 3.663 20 0 GHADLP Cc1c(NCC(C)(C)C)cccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000625561864 862362843 /nfs/dbraw/zinc/36/28/43/862362843.db2.gz XBHKZSHOQWGJMH-UHFFFAOYSA-N 2 2 388.600 3.551 20 0 GHADLP Cc1c(NCC(C)(C)C)cccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000625561864 862362859 /nfs/dbraw/zinc/36/28/59/862362859.db2.gz XBHKZSHOQWGJMH-UHFFFAOYSA-N 2 2 388.600 3.551 20 0 GHADLP [NH3+][C@@H]1CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@H]1c1ccccc1 ZINC000517894530 852586448 /nfs/dbraw/zinc/58/64/48/852586448.db2.gz SZYHBIZAVYZMBZ-PZJWPPBQSA-N 2 2 399.498 3.560 20 0 GHADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N1CCC([NH+]2CCCC2)CC1 ZINC000425671264 852595509 /nfs/dbraw/zinc/59/55/09/852595509.db2.gz HMATWRHPDMPTQB-UHFFFAOYSA-N 2 2 393.535 3.979 20 0 GHADLP Cc1noc(C2CCC([NH2+]CC3([NH2+][C@H](C)c4ccccc4)CCOCC3)CC2)n1 ZINC000438827162 852928948 /nfs/dbraw/zinc/92/89/48/852928948.db2.gz REGMBMHSAUSZHW-MDMXATFFSA-N 2 2 398.551 3.894 20 0 GHADLP CCc1ccc(CC)c(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000438841110 852951344 /nfs/dbraw/zinc/95/13/44/852951344.db2.gz KPNWPKYILZWOLE-UHFFFAOYSA-N 2 2 386.584 3.883 20 0 GHADLP Brc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cs1 ZINC000506042594 853078804 /nfs/dbraw/zinc/07/88/04/853078804.db2.gz VTGRIFIDCZTYNK-UHFFFAOYSA-N 2 2 387.387 3.835 20 0 GHADLP c1cc(C[NH2+]Cc2ccc3c(c2)CCCC3)cc(OCC[NH+]2CCOCC2)c1 ZINC000490800604 853271880 /nfs/dbraw/zinc/27/18/80/853271880.db2.gz YMAAFBZDJSJAFO-UHFFFAOYSA-N 2 2 380.532 3.566 20 0 GHADLP COc1ccc([C@H](CNc2cc[nH+]c3c(OC)cccc23)[NH+](C)C)cc1OC ZINC000440649875 853471554 /nfs/dbraw/zinc/47/15/54/853471554.db2.gz HLDXQVMWERFMSY-SFHVURJKSA-N 2 2 381.476 3.975 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2ccc3c(c2)C[NH2+]C3)c(C)c1 ZINC000570909932 853502870 /nfs/dbraw/zinc/50/28/70/853502870.db2.gz PCIVMGFDMOYPCJ-OAQYLSRUSA-N 2 2 375.476 3.666 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC2([NH+](C)C)CCCCC2)c(C)c1 ZINC000440822040 853643176 /nfs/dbraw/zinc/64/31/76/853643176.db2.gz JXLMUVZAHRSIAT-NRFANRHFSA-N 2 2 397.567 3.805 20 0 GHADLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(=O)NCc1ccccc1 ZINC000441380662 854166078 /nfs/dbraw/zinc/16/60/78/854166078.db2.gz QVGVRVLBWYVJGB-PKTZIBPZSA-N 2 2 390.531 3.926 20 0 GHADLP CC(C)(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441419529 854293769 /nfs/dbraw/zinc/29/37/69/854293769.db2.gz JUUPVEDSBPKMIV-OFNKIYASSA-N 2 2 397.607 3.592 20 0 GHADLP CC(C)(C)c1ccc(CCNC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441419529 854293776 /nfs/dbraw/zinc/29/37/76/854293776.db2.gz JUUPVEDSBPKMIV-OFNKIYASSA-N 2 2 397.607 3.592 20 0 GHADLP CC(C)(C)c1ccc(CCNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441419529 854293781 /nfs/dbraw/zinc/29/37/81/854293781.db2.gz JUUPVEDSBPKMIV-OFNKIYASSA-N 2 2 397.607 3.592 20 0 GHADLP CC(C)(C)c1ccc(CCNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441419529 854293785 /nfs/dbraw/zinc/29/37/85/854293785.db2.gz JUUPVEDSBPKMIV-OFNKIYASSA-N 2 2 397.607 3.592 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cn2ccccc2n1 ZINC000572016612 854335190 /nfs/dbraw/zinc/33/51/90/854335190.db2.gz ZVLMCLDFFKAKHB-GUDVDZBRSA-N 2 2 378.520 3.794 20 0 GHADLP C[NH+](C)CCOc1ccc(-c2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)cc1 ZINC000546272074 854343971 /nfs/dbraw/zinc/34/39/71/854343971.db2.gz UGLZEDDYAHYZCT-UHFFFAOYSA-N 2 2 375.432 3.530 20 0 GHADLP CC(C)n1c(Sc2nc3ccccc3n3c[nH+]cc23)nnc1[C@@H]1CCC[NH2+]C1 ZINC000623980918 862562800 /nfs/dbraw/zinc/56/28/00/862562800.db2.gz VETGJNUGRMDKLX-CQSZACIVSA-N 2 2 393.520 3.673 20 0 GHADLP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001167995035 854429932 /nfs/dbraw/zinc/42/99/32/854429932.db2.gz UWTBVSIZZWIDPW-VAJYSXGHSA-N 2 2 377.573 3.722 20 0 GHADLP C[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001167995035 854429937 /nfs/dbraw/zinc/42/99/37/854429937.db2.gz UWTBVSIZZWIDPW-VAJYSXGHSA-N 2 2 377.573 3.722 20 0 GHADLP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001167995035 854429940 /nfs/dbraw/zinc/42/99/40/854429940.db2.gz UWTBVSIZZWIDPW-VAJYSXGHSA-N 2 2 377.573 3.722 20 0 GHADLP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001167995035 854429944 /nfs/dbraw/zinc/42/99/44/854429944.db2.gz UWTBVSIZZWIDPW-VAJYSXGHSA-N 2 2 377.573 3.722 20 0 GHADLP C[NH+](C)[C@@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)c1cccc(Cl)c1 ZINC000572401018 854478597 /nfs/dbraw/zinc/47/85/97/854478597.db2.gz OTOPIQFOPWDAKM-MRXNPFEDSA-N 2 2 378.929 3.505 20 0 GHADLP CCC[N@H+](C)C[C@@H]1CCN(c2c(C(=O)OCC)c[nH+]c3ccc(OC)cc32)C1 ZINC000482001408 862596217 /nfs/dbraw/zinc/59/62/17/862596217.db2.gz WNMDNJLFVPVBQR-INIZCTEOSA-N 2 2 385.508 3.588 20 0 GHADLP CCC[N@@H+](C)C[C@@H]1CCN(c2c(C(=O)OCC)c[nH+]c3ccc(OC)cc32)C1 ZINC000482001408 862596220 /nfs/dbraw/zinc/59/62/20/862596220.db2.gz WNMDNJLFVPVBQR-INIZCTEOSA-N 2 2 385.508 3.588 20 0 GHADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000072858226 854731284 /nfs/dbraw/zinc/73/12/84/854731284.db2.gz HLUSLOJWGAFXPR-DENIHFKCSA-N 2 2 385.596 3.921 20 0 GHADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000072858226 854731288 /nfs/dbraw/zinc/73/12/88/854731288.db2.gz HLUSLOJWGAFXPR-DENIHFKCSA-N 2 2 385.596 3.921 20 0 GHADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000072858226 854731297 /nfs/dbraw/zinc/73/12/97/854731297.db2.gz HLUSLOJWGAFXPR-DENIHFKCSA-N 2 2 385.596 3.921 20 0 GHADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000072858226 854731302 /nfs/dbraw/zinc/73/13/02/854731302.db2.gz HLUSLOJWGAFXPR-DENIHFKCSA-N 2 2 385.596 3.921 20 0 GHADLP C[C@@H](C[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1)Cn1cc[nH+]c1 ZINC000113329694 854797444 /nfs/dbraw/zinc/79/74/44/854797444.db2.gz XNIPRPOSFQNWAR-AWEZNQCLSA-N 2 2 376.913 3.998 20 0 GHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H]2C[N@@H+]4CCC[C@@H]4CO2)CCC3)cc1 ZINC000765789671 854820408 /nfs/dbraw/zinc/82/04/08/854820408.db2.gz CQCFZIQXAOEMKU-BHIYHBOVSA-N 2 2 399.560 3.649 20 0 GHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H]2C[N@H+]4CCC[C@@H]4CO2)CCC3)cc1 ZINC000765789671 854820413 /nfs/dbraw/zinc/82/04/13/854820413.db2.gz CQCFZIQXAOEMKU-BHIYHBOVSA-N 2 2 399.560 3.649 20 0 GHADLP CC(C)Sc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000482015284 862631569 /nfs/dbraw/zinc/63/15/69/862631569.db2.gz IWTXTALWAWRMJX-XLIONFOSSA-N 2 2 377.598 3.780 20 0 GHADLP CC(C)Sc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000482015284 862631576 /nfs/dbraw/zinc/63/15/76/862631576.db2.gz IWTXTALWAWRMJX-XLIONFOSSA-N 2 2 377.598 3.780 20 0 GHADLP CC(=O)Nc1ccc(CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000165654453 855194713 /nfs/dbraw/zinc/19/47/13/855194713.db2.gz UVZBIASVXUJULP-UHFFFAOYSA-N 2 2 380.536 3.512 20 0 GHADLP C[N@H+](Cc1cccc(-c2cccnc2)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190315224 855318515 /nfs/dbraw/zinc/31/85/15/855318515.db2.gz IKORABYNMPVWNG-VWLOTQADSA-N 2 2 387.527 3.817 20 0 GHADLP C[N@@H+](Cc1cccc(-c2cccnc2)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190315224 855318526 /nfs/dbraw/zinc/31/85/26/855318526.db2.gz IKORABYNMPVWNG-VWLOTQADSA-N 2 2 387.527 3.817 20 0 GHADLP C[NH+](Cc1cccc(-c2cccnc2)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190315224 855318531 /nfs/dbraw/zinc/31/85/31/855318531.db2.gz IKORABYNMPVWNG-VWLOTQADSA-N 2 2 387.527 3.817 20 0 GHADLP C[NH+](Cc1cccc(-c2cccnc2)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190315224 855318542 /nfs/dbraw/zinc/31/85/42/855318542.db2.gz IKORABYNMPVWNG-VWLOTQADSA-N 2 2 387.527 3.817 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1 ZINC000180642836 855487974 /nfs/dbraw/zinc/48/79/74/855487974.db2.gz PKHFNPGFOWKDEB-FQEVSTJZSA-N 2 2 383.540 3.859 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1 ZINC000180642836 855487976 /nfs/dbraw/zinc/48/79/76/855487976.db2.gz PKHFNPGFOWKDEB-FQEVSTJZSA-N 2 2 383.540 3.859 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)c1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624158176 862688038 /nfs/dbraw/zinc/68/80/38/862688038.db2.gz SCDHLEXELIHIIP-UHFFFAOYSA-N 2 2 376.508 3.672 20 0 GHADLP Cc1cccc([C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c2cccc(F)c2)c1 ZINC000510696564 855529964 /nfs/dbraw/zinc/52/99/64/855529964.db2.gz RGCWYJDYAKJBNV-XMMPIXPASA-N 2 2 397.538 3.756 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@]3(CO)C[C@@H]3c3ccc(F)cc3)CC2)cc1 ZINC000760039789 855607590 /nfs/dbraw/zinc/60/75/90/855607590.db2.gz FTHAODUUJCXIDG-DNQXCXABSA-N 2 2 397.538 3.616 20 0 GHADLP C[C@@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000591080030 855750055 /nfs/dbraw/zinc/75/00/55/855750055.db2.gz CSRYFTBCJCVOFN-KGLIPLIRSA-N 2 2 388.581 3.856 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000591083279 855752593 /nfs/dbraw/zinc/75/25/93/855752593.db2.gz UGEXWFYQQGDHOB-ZFWWWQNUSA-N 2 2 381.307 3.704 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000591083279 855752598 /nfs/dbraw/zinc/75/25/98/855752598.db2.gz UGEXWFYQQGDHOB-ZFWWWQNUSA-N 2 2 381.307 3.704 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCCCCC[NH+](C)C)CC1 ZINC000765880871 855884742 /nfs/dbraw/zinc/88/47/42/855884742.db2.gz MMPOMXBENSIWQE-SFHVURJKSA-N 2 2 380.602 3.648 20 0 GHADLP C[C@H](CCCc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000181088788 862746555 /nfs/dbraw/zinc/74/65/55/862746555.db2.gz TXIKTDBHYDWQSS-OAQYLSRUSA-N 2 2 385.596 3.712 20 0 GHADLP CC1CC[NH+](C2CCC(NC(=O)NCc3ccc(-n4cc[nH+]c4)cc3)CC2)CC1 ZINC000179001849 856003619 /nfs/dbraw/zinc/00/36/19/856003619.db2.gz YVUQNSRAWVQJIW-UHFFFAOYSA-N 2 2 395.551 3.715 20 0 GHADLP C[C@@H]1C[N@H+](CCCc2c(Cl)cccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000482158430 862753089 /nfs/dbraw/zinc/75/30/89/862753089.db2.gz SYVKSXREGKWSSR-UZLBHIALSA-N 2 2 384.395 3.884 20 0 GHADLP C[C@@H]1C[N@@H+](CCCc2c(Cl)cccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000482158430 862753100 /nfs/dbraw/zinc/75/31/00/862753100.db2.gz SYVKSXREGKWSSR-UZLBHIALSA-N 2 2 384.395 3.884 20 0 GHADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc(-c4cccs4)on3)CC2)C[C@@H](C)O1 ZINC000171307098 856085797 /nfs/dbraw/zinc/08/57/97/856085797.db2.gz WWYLUCNFNVWRIC-HZPDHXFCSA-N 2 2 375.538 3.724 20 0 GHADLP Cc1ccccc1[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000674329696 856172957 /nfs/dbraw/zinc/17/29/57/856172957.db2.gz KPQVIMGCANUNMB-GHTZIAJQSA-N 2 2 386.584 3.550 20 0 GHADLP Cc1ccccc1[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000674329696 856172964 /nfs/dbraw/zinc/17/29/64/856172964.db2.gz KPQVIMGCANUNMB-GHTZIAJQSA-N 2 2 386.584 3.550 20 0 GHADLP c1ccc2c(c1)CC1(CCOCC1)[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000485303165 856335114 /nfs/dbraw/zinc/33/51/14/856335114.db2.gz FYAQKRMARATSJY-XMMPIXPASA-N 2 2 392.543 3.703 20 0 GHADLP C[NH+](C)CCN(CC1CCCCC1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000172546732 856473463 /nfs/dbraw/zinc/47/34/63/856473463.db2.gz GEAQUFWBWYCXED-UHFFFAOYSA-N 2 2 397.567 3.585 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000186488780 856498121 /nfs/dbraw/zinc/49/81/21/856498121.db2.gz IDICROURXRWAFH-OALUTQOASA-N 2 2 375.875 3.503 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000186488780 856498122 /nfs/dbraw/zinc/49/81/22/856498122.db2.gz IDICROURXRWAFH-OALUTQOASA-N 2 2 375.875 3.503 20 0 GHADLP CC[N@H+](C)C1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)CC1 ZINC001168575733 856540032 /nfs/dbraw/zinc/54/00/32/856540032.db2.gz YGVAQEBPIKIRFE-JKSUJKDBSA-N 2 2 393.494 3.733 20 0 GHADLP CC[N@@H+](C)C1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)CC1 ZINC001168575733 856540033 /nfs/dbraw/zinc/54/00/33/856540033.db2.gz YGVAQEBPIKIRFE-JKSUJKDBSA-N 2 2 393.494 3.733 20 0 GHADLP Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)n1Cc1cccs1 ZINC000674752039 856766091 /nfs/dbraw/zinc/76/60/91/856766091.db2.gz YQONESRQXMJHEG-GOSISDBHSA-N 2 2 382.533 3.931 20 0 GHADLP Cc1cc(C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)n1Cc1cccs1 ZINC000674752039 856766100 /nfs/dbraw/zinc/76/61/00/856766100.db2.gz YQONESRQXMJHEG-GOSISDBHSA-N 2 2 382.533 3.931 20 0 GHADLP COCCC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000427853140 856797341 /nfs/dbraw/zinc/79/73/41/856797341.db2.gz NRVKYEWHLCWGPE-IAGOWNOFSA-N 2 2 378.314 3.718 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCCc3csc4ccccc34)C2)CC1 ZINC000674800067 856809821 /nfs/dbraw/zinc/80/98/21/856809821.db2.gz UAWKEAQAXJCMJX-SFHVURJKSA-N 2 2 385.577 3.509 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCCc3csc4ccccc34)C2)CC1 ZINC000674800067 856809833 /nfs/dbraw/zinc/80/98/33/856809833.db2.gz UAWKEAQAXJCMJX-SFHVURJKSA-N 2 2 385.577 3.509 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1Br ZINC000181414657 862868645 /nfs/dbraw/zinc/86/86/45/862868645.db2.gz PCTHBZOGTGOCSD-KYNGSXCRSA-N 2 2 381.358 3.868 20 0 GHADLP C[C@H]([NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181447026 862882965 /nfs/dbraw/zinc/88/29/65/862882965.db2.gz NFYFVFAPGRCNGT-HOCLYGCPSA-N 2 2 382.414 3.607 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923751 857667559 /nfs/dbraw/zinc/66/75/59/857667559.db2.gz USLNYBBXPGCNQJ-OXJNMPFZSA-N 2 2 380.467 3.850 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nc(C)c(C)s2)CC1 ZINC000181632528 862947287 /nfs/dbraw/zinc/94/72/87/862947287.db2.gz IXEGZLMCWNWCGX-OAHLLOKOSA-N 2 2 376.545 3.892 20 0 GHADLP CCOc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1OC ZINC000676202034 857782091 /nfs/dbraw/zinc/78/20/91/857782091.db2.gz WXIGXPUWCIMOAJ-UHFFFAOYSA-N 2 2 384.524 3.631 20 0 GHADLP CN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676310092 857814169 /nfs/dbraw/zinc/81/41/69/857814169.db2.gz NILHIXWXIYQJGP-SFHVURJKSA-N 2 2 387.616 3.676 20 0 GHADLP CN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676310092 857814177 /nfs/dbraw/zinc/81/41/77/857814177.db2.gz NILHIXWXIYQJGP-SFHVURJKSA-N 2 2 387.616 3.676 20 0 GHADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000676478304 857899078 /nfs/dbraw/zinc/89/90/78/857899078.db2.gz NCYPZYUMPHSXDM-UKRRQHHQSA-N 2 2 381.307 3.704 20 0 GHADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000676478304 857899080 /nfs/dbraw/zinc/89/90/80/857899080.db2.gz NCYPZYUMPHSXDM-UKRRQHHQSA-N 2 2 381.307 3.704 20 0 GHADLP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000428258051 858082998 /nfs/dbraw/zinc/08/29/98/858082998.db2.gz CUQZWSRJCRLPFS-GOSISDBHSA-N 2 2 392.469 3.868 20 0 GHADLP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000428258051 858083003 /nfs/dbraw/zinc/08/30/03/858083003.db2.gz CUQZWSRJCRLPFS-GOSISDBHSA-N 2 2 392.469 3.868 20 0 GHADLP COC(=O)c1c(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)nc2ccccc2c1-c1ccccc1 ZINC000574692096 858164333 /nfs/dbraw/zinc/16/43/33/858164333.db2.gz LSIFWQHAJGPKPL-DEOSSOPVSA-N 2 2 389.499 3.859 20 0 GHADLP COC(=O)c1c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)nc2ccccc2c1-c1ccccc1 ZINC000574692096 858164338 /nfs/dbraw/zinc/16/43/38/858164338.db2.gz LSIFWQHAJGPKPL-DEOSSOPVSA-N 2 2 389.499 3.859 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000443021427 858299029 /nfs/dbraw/zinc/29/90/29/858299029.db2.gz NQMBHKSMMVWLNS-SFHVURJKSA-N 2 2 378.442 3.583 20 0 GHADLP COc1ccccc1/C=C/C[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000521818957 858353614 /nfs/dbraw/zinc/35/36/14/858353614.db2.gz ISOXGVLWWHAJRU-UXBLZVDNSA-N 2 2 379.548 3.819 20 0 GHADLP CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)[NH+](C)C)cc1 ZINC000673219438 858424088 /nfs/dbraw/zinc/42/40/88/858424088.db2.gz QWJQGGVMJZZGPZ-FGZHOGPDSA-N 2 2 397.567 3.731 20 0 GHADLP Cc1cccc([C@H]2CCCN2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000466145359 858481180 /nfs/dbraw/zinc/48/11/80/858481180.db2.gz MBEQTMQJTRDRNS-JOCHJYFZSA-N 2 2 398.595 3.792 20 0 GHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@H]2c2ccsc2)([NH+]2CCCCC2)CC1 ZINC000466160246 858523024 /nfs/dbraw/zinc/52/30/24/858523024.db2.gz VZTCXOCMDWIYKJ-IBGZPJMESA-N 2 2 390.597 3.545 20 0 GHADLP CN(CCC1CCCCC1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466182675 858618565 /nfs/dbraw/zinc/61/85/65/858618565.db2.gz WFLMCYOPJVOQDR-UHFFFAOYSA-N 2 2 378.605 3.549 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CCC([NH+]2CCCCC2)CC1 ZINC000443447133 858691149 /nfs/dbraw/zinc/69/11/49/858691149.db2.gz QPXLXADWKNDLGL-UHFFFAOYSA-N 2 2 397.519 3.875 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)CC2)c1 ZINC000474074994 858787494 /nfs/dbraw/zinc/78/74/94/858787494.db2.gz TVNFWBPSCLBCAF-OEMFJLHTSA-N 2 2 385.596 3.692 20 0 GHADLP COc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)c(-c2ccccc2)cc1OC ZINC000922950330 858886386 /nfs/dbraw/zinc/88/63/86/858886386.db2.gz IFWWBAWFBSPKMT-OAQYLSRUSA-N 2 2 396.531 3.714 20 0 GHADLP COc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)c(-c2ccccc2)cc1OC ZINC000922950330 858886388 /nfs/dbraw/zinc/88/63/88/858886388.db2.gz IFWWBAWFBSPKMT-OAQYLSRUSA-N 2 2 396.531 3.714 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(Cl)cc2OC)[C@@H]1c1cnn(C)c1 ZINC000482862945 858927650 /nfs/dbraw/zinc/92/76/50/858927650.db2.gz FMLNXMNNPSEFMJ-LAUBAEHRSA-N 2 2 390.959 3.987 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(Cl)cc2OC)[C@@H]1c1cnn(C)c1 ZINC000482862945 858927660 /nfs/dbraw/zinc/92/76/60/858927660.db2.gz FMLNXMNNPSEFMJ-LAUBAEHRSA-N 2 2 390.959 3.987 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(Cl)cc2OC)[C@@H]1c1cnn(C)c1 ZINC000482862945 858927670 /nfs/dbraw/zinc/92/76/70/858927670.db2.gz FMLNXMNNPSEFMJ-LAUBAEHRSA-N 2 2 390.959 3.987 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(Cl)cc2OC)[C@@H]1c1cnn(C)c1 ZINC000482862945 858927678 /nfs/dbraw/zinc/92/76/78/858927678.db2.gz FMLNXMNNPSEFMJ-LAUBAEHRSA-N 2 2 390.959 3.987 20 0 GHADLP COCCC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000157686010 858930829 /nfs/dbraw/zinc/93/08/29/858930829.db2.gz YBXBTRJTPZXUHI-RTBURBONSA-N 2 2 381.358 3.991 20 0 GHADLP COCCC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000157686010 858930830 /nfs/dbraw/zinc/93/08/30/858930830.db2.gz YBXBTRJTPZXUHI-RTBURBONSA-N 2 2 381.358 3.991 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc(C)cc3OC)cc2)CC1 ZINC000532193505 881376801 /nfs/dbraw/zinc/37/68/01/881376801.db2.gz ZLGOOAOJOSGDFO-FQEVSTJZSA-N 2 2 381.564 3.992 20 0 GHADLP CN(C(=O)CSc1ccc2ccccc2c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476907 859289439 /nfs/dbraw/zinc/28/94/39/859289439.db2.gz BVVLJFQVUJKMBW-OAQYLSRUSA-N 2 2 397.588 3.559 20 0 GHADLP CN(C(=O)CSc1ccc2ccccc2c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476907 859289447 /nfs/dbraw/zinc/28/94/47/859289447.db2.gz BVVLJFQVUJKMBW-OAQYLSRUSA-N 2 2 397.588 3.559 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000429414454 859308989 /nfs/dbraw/zinc/30/89/89/859308989.db2.gz YCQTXLWCRHEGCB-VWNXMTODSA-N 2 2 380.532 3.953 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000429414454 859308997 /nfs/dbraw/zinc/30/89/97/859308997.db2.gz YCQTXLWCRHEGCB-VWNXMTODSA-N 2 2 380.532 3.953 20 0 GHADLP CCn1c2ccc(Br)cc2nc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000483505456 859415871 /nfs/dbraw/zinc/41/58/71/859415871.db2.gz SYHDTFTXQOEALK-GJZGRUSLSA-N 2 2 377.330 3.535 20 0 GHADLP CCn1c2ccc(Br)cc2nc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000483505456 859415878 /nfs/dbraw/zinc/41/58/78/859415878.db2.gz SYHDTFTXQOEALK-GJZGRUSLSA-N 2 2 377.330 3.535 20 0 GHADLP COc1ccc(Oc2ccc(C[NH+]3CCC([N@H+](C)CCCO)CC3)cc2)cc1 ZINC000543398593 859577995 /nfs/dbraw/zinc/57/79/95/859577995.db2.gz UXGLPIFDAGFXIM-UHFFFAOYSA-N 2 2 384.520 3.766 20 0 GHADLP COc1ccc(Oc2ccc(C[NH+]3CCC([N@@H+](C)CCCO)CC3)cc2)cc1 ZINC000543398593 859578002 /nfs/dbraw/zinc/57/80/02/859578002.db2.gz UXGLPIFDAGFXIM-UHFFFAOYSA-N 2 2 384.520 3.766 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000093109652 859623510 /nfs/dbraw/zinc/62/35/10/859623510.db2.gz SREJWRHODGFPSI-GOSISDBHSA-N 2 2 375.520 3.797 20 0 GHADLP O[C@]1(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484166236 859858556 /nfs/dbraw/zinc/85/85/56/859858556.db2.gz UQHNOXXWJKWHNN-IRLDBZIGSA-N 2 2 386.923 3.780 20 0 GHADLP O[C@]1(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484166236 859858562 /nfs/dbraw/zinc/85/85/62/859858562.db2.gz UQHNOXXWJKWHNN-IRLDBZIGSA-N 2 2 386.923 3.780 20 0 GHADLP Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(N2CCOCC2)c1 ZINC000484283163 859912177 /nfs/dbraw/zinc/91/21/77/859912177.db2.gz YNGOKLVIURFADS-LJQANCHMSA-N 2 2 376.504 3.868 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000765359353 859927776 /nfs/dbraw/zinc/92/77/76/859927776.db2.gz HFAJKKCZIBSYNG-CDHQVMDDSA-N 2 2 393.453 3.634 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000765359353 859927778 /nfs/dbraw/zinc/92/77/78/859927778.db2.gz HFAJKKCZIBSYNG-CDHQVMDDSA-N 2 2 393.453 3.634 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000921518310 860005376 /nfs/dbraw/zinc/00/53/76/860005376.db2.gz SUSMMVBUKVMROP-XLIONFOSSA-N 2 2 384.524 3.714 20 0 GHADLP O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000101917596 860059554 /nfs/dbraw/zinc/05/95/54/860059554.db2.gz FRBRJPWYIKESJB-UHFFFAOYSA-N 2 2 378.451 3.862 20 0 GHADLP CN(C(=O)c1cc2c(o1)CCCC2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001127906927 860244426 /nfs/dbraw/zinc/24/44/26/860244426.db2.gz WQNCNYSPWDVNHS-VQTJNVASSA-N 2 2 387.568 3.568 20 0 GHADLP CN(C(=O)c1cc2c(o1)CCCC2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001127906927 860244432 /nfs/dbraw/zinc/24/44/32/860244432.db2.gz WQNCNYSPWDVNHS-VQTJNVASSA-N 2 2 387.568 3.568 20 0 GHADLP COc1cccc(N2CC[C@H]([NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)C2)c1 ZINC000765693885 860416688 /nfs/dbraw/zinc/41/66/88/860416688.db2.gz OLSVBDITDLZCKN-FQEVSTJZSA-N 2 2 394.563 3.599 20 0 GHADLP CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc(C(C)(C)[NH3+])cc3)CC2)cc1 ZINC000904583632 860510485 /nfs/dbraw/zinc/51/04/85/860510485.db2.gz YPCSTGNEFGQAPF-UHFFFAOYSA-N 2 2 395.551 3.737 20 0 GHADLP CCc1noc([C@H]2CC[C@H]([NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)C2)n1 ZINC000922871235 860701923 /nfs/dbraw/zinc/70/19/23/860701923.db2.gz WIOQNCICWAWPSN-WMZOPIPTSA-N 2 2 383.540 3.593 20 0 GHADLP C[C@@H]1C[C@@H](N2CC[NH+](Cc3cccnc3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041788 860791436 /nfs/dbraw/zinc/79/14/36/860791436.db2.gz VLMICCRODZRPPF-RUMRUAAYSA-N 2 2 378.564 3.641 20 0 GHADLP C[C@@H]1C[C@@H](N2CC[NH+](Cc3cccnc3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041788 860791441 /nfs/dbraw/zinc/79/14/41/860791441.db2.gz VLMICCRODZRPPF-RUMRUAAYSA-N 2 2 378.564 3.641 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000600160617 861136424 /nfs/dbraw/zinc/13/64/24/861136424.db2.gz FGTURKPIXBMKFH-FQEVSTJZSA-N 2 2 381.520 3.650 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000600160617 861136431 /nfs/dbraw/zinc/13/64/31/861136431.db2.gz FGTURKPIXBMKFH-FQEVSTJZSA-N 2 2 381.520 3.650 20 0 GHADLP Cc1cccc([C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(C)(C)C)c1 ZINC000674158090 863077168 /nfs/dbraw/zinc/07/71/68/863077168.db2.gz JTUZPCONYLAIEN-TZIWHRDSSA-N 2 2 386.584 3.550 20 0 GHADLP Cc1cccc([C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(C)(C)C)c1 ZINC000674158090 863077182 /nfs/dbraw/zinc/07/71/82/863077182.db2.gz JTUZPCONYLAIEN-TZIWHRDSSA-N 2 2 386.584 3.550 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 ZINC000766192808 863308515 /nfs/dbraw/zinc/30/85/15/863308515.db2.gz XIQYPDNOPXHCEW-QHCPKHFHSA-N 2 2 392.591 3.976 20 0 GHADLP Ic1ccc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000182804041 863360434 /nfs/dbraw/zinc/36/04/34/863360434.db2.gz TUKFYQWEZMNZOU-INIZCTEOSA-N 2 2 381.261 3.715 20 0 GHADLP Ic1ccc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000182804041 863360445 /nfs/dbraw/zinc/36/04/45/863360445.db2.gz TUKFYQWEZMNZOU-INIZCTEOSA-N 2 2 381.261 3.715 20 0 GHADLP CN(C(=O)C1(c2cccs2)CCCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000606370774 863565730 /nfs/dbraw/zinc/56/57/30/863565730.db2.gz YECJLSTUGQUIFO-LJQANCHMSA-N 2 2 389.609 3.577 20 0 GHADLP CN(C(=O)C1(c2cccs2)CCCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000606370774 863565742 /nfs/dbraw/zinc/56/57/42/863565742.db2.gz YECJLSTUGQUIFO-LJQANCHMSA-N 2 2 389.609 3.577 20 0 GHADLP Cc1cccc(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000606432110 863607832 /nfs/dbraw/zinc/60/78/32/863607832.db2.gz QVAVKBOSQYTUPY-QFIPXVFZSA-N 2 2 378.564 3.733 20 0 GHADLP Cc1cccc(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000606432110 863607839 /nfs/dbraw/zinc/60/78/39/863607839.db2.gz QVAVKBOSQYTUPY-QFIPXVFZSA-N 2 2 378.564 3.733 20 0 GHADLP CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC2)s1 ZINC000606506626 863676116 /nfs/dbraw/zinc/67/61/16/863676116.db2.gz NCWZGFARQLILPD-IBGZPJMESA-N 2 2 394.629 3.504 20 0 GHADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1cn(Cc3ccccc3)nc1-c1ccccc1)CC2 ZINC000494415257 881691837 /nfs/dbraw/zinc/69/18/37/881691837.db2.gz YGRQLLHOQNSILV-QFIPXVFZSA-N 2 2 383.499 3.900 20 0 GHADLP NC(=O)[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000103500364 864041186 /nfs/dbraw/zinc/04/11/86/864041186.db2.gz VZLMAIOIQMLCNP-XMMPIXPASA-N 2 2 396.494 3.915 20 0 GHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000607281849 864237597 /nfs/dbraw/zinc/23/75/97/864237597.db2.gz QCKKMDLOMWOTPJ-VXKWHMMOSA-N 2 2 395.547 3.978 20 0 GHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000607281849 864237619 /nfs/dbraw/zinc/23/76/19/864237619.db2.gz QCKKMDLOMWOTPJ-VXKWHMMOSA-N 2 2 395.547 3.978 20 0 GHADLP CNC(=O)c1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000159221366 864426198 /nfs/dbraw/zinc/42/61/98/864426198.db2.gz KTPONHIVKGSGMF-PKTZIBPZSA-N 2 2 377.532 3.533 20 0 GHADLP CNC(=O)c1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000159221366 864426202 /nfs/dbraw/zinc/42/62/02/864426202.db2.gz KTPONHIVKGSGMF-PKTZIBPZSA-N 2 2 377.532 3.533 20 0 GHADLP CNC(=O)c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000159221366 864426209 /nfs/dbraw/zinc/42/62/09/864426209.db2.gz KTPONHIVKGSGMF-PKTZIBPZSA-N 2 2 377.532 3.533 20 0 GHADLP CNC(=O)c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000159221366 864426215 /nfs/dbraw/zinc/42/62/15/864426215.db2.gz KTPONHIVKGSGMF-PKTZIBPZSA-N 2 2 377.532 3.533 20 0 GHADLP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000554564671 864534764 /nfs/dbraw/zinc/53/47/64/864534764.db2.gz OMDWRBWHUXXGSV-NRFANRHFSA-N 2 2 394.563 3.985 20 0 GHADLP CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000554564671 864534777 /nfs/dbraw/zinc/53/47/77/864534777.db2.gz OMDWRBWHUXXGSV-NRFANRHFSA-N 2 2 394.563 3.985 20 0 GHADLP COc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000163694794 864554024 /nfs/dbraw/zinc/55/40/24/864554024.db2.gz LFGNSKBTAMKXOO-GOSISDBHSA-N 2 2 384.520 3.695 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(OC(F)F)cc1 ZINC000163746337 864560607 /nfs/dbraw/zinc/56/06/07/864560607.db2.gz HMZNIZBIEWSEHH-MRXNPFEDSA-N 2 2 376.447 3.971 20 0 GHADLP CN(C(=O)Nc1ccc(F)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165547724 864682925 /nfs/dbraw/zinc/68/29/25/864682925.db2.gz VXABPPFMGSAULH-UXHICEINSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1ccc(F)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165547724 864682928 /nfs/dbraw/zinc/68/29/28/864682928.db2.gz VXABPPFMGSAULH-UXHICEINSA-N 2 2 394.510 3.766 20 0 GHADLP C[C@H](c1cccc(Br)c1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182568919 864696107 /nfs/dbraw/zinc/69/61/07/864696107.db2.gz TZOHRNQBZAVJBF-AZCLRUCKSA-N 2 2 392.385 3.753 20 0 GHADLP C[C@H](c1cccc(Br)c1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182568919 864696115 /nfs/dbraw/zinc/69/61/15/864696115.db2.gz TZOHRNQBZAVJBF-AZCLRUCKSA-N 2 2 392.385 3.753 20 0 GHADLP c1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667688169 864790804 /nfs/dbraw/zinc/79/08/04/864790804.db2.gz HNCGHCPLGYZGQQ-UHFFFAOYSA-N 2 2 387.531 3.755 20 0 GHADLP c1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667688169 864790824 /nfs/dbraw/zinc/79/08/24/864790824.db2.gz HNCGHCPLGYZGQQ-UHFFFAOYSA-N 2 2 387.531 3.755 20 0 GHADLP CC1(C)OCc2cc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc2O1 ZINC000475329221 864790835 /nfs/dbraw/zinc/79/08/35/864790835.db2.gz BOGMGCAGFMFJFU-SZPZYZBQSA-N 2 2 378.516 3.896 20 0 GHADLP CC1(C)OCc2cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc2O1 ZINC000475329221 864790845 /nfs/dbraw/zinc/79/08/45/864790845.db2.gz BOGMGCAGFMFJFU-SZPZYZBQSA-N 2 2 378.516 3.896 20 0 GHADLP CC1(C)OCc2cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc2O1 ZINC000475329221 864790855 /nfs/dbraw/zinc/79/08/55/864790855.db2.gz BOGMGCAGFMFJFU-SZPZYZBQSA-N 2 2 378.516 3.896 20 0 GHADLP CC1(C)OCc2cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)ccc2O1 ZINC000475329221 864790865 /nfs/dbraw/zinc/79/08/65/864790865.db2.gz BOGMGCAGFMFJFU-SZPZYZBQSA-N 2 2 378.516 3.896 20 0 GHADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000167860975 864801874 /nfs/dbraw/zinc/80/18/74/864801874.db2.gz QVAQBTUOXDQFNC-IAGOWNOFSA-N 2 2 389.565 3.838 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000667707318 864946503 /nfs/dbraw/zinc/94/65/03/864946503.db2.gz WNFICHTWBAQDHZ-HLAWJBBLSA-N 2 2 385.483 3.697 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000667707318 864946504 /nfs/dbraw/zinc/94/65/04/864946504.db2.gz WNFICHTWBAQDHZ-HLAWJBBLSA-N 2 2 385.483 3.697 20 0 GHADLP COc1ccc2c(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc(=O)oc2c1 ZINC000735871492 865015291 /nfs/dbraw/zinc/01/52/91/865015291.db2.gz POOLYDYFINMIRW-SFHVURJKSA-N 2 2 384.520 3.890 20 0 GHADLP COc1ccc2c(C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc(=O)oc2c1 ZINC000735871492 865015305 /nfs/dbraw/zinc/01/53/05/865015305.db2.gz POOLYDYFINMIRW-SFHVURJKSA-N 2 2 384.520 3.890 20 0 GHADLP CCOc1c(OC)cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1OC ZINC000554884660 865114265 /nfs/dbraw/zinc/11/42/65/865114265.db2.gz ZGIGOXIYYQWNJQ-UHFFFAOYSA-N 2 2 387.524 3.991 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCOc4ccc(F)cc43)cc2)CC1 ZINC000480739042 865171003 /nfs/dbraw/zinc/17/10/03/865171003.db2.gz LNYZMTYYFFMCGL-HSZRJFAPSA-N 2 2 397.538 3.967 20 0 GHADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000480775501 865275527 /nfs/dbraw/zinc/27/55/27/865275527.db2.gz YBEXDRVPXTYJAY-WMZHIEFXSA-N 2 2 379.548 3.928 20 0 GHADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000480775501 865275538 /nfs/dbraw/zinc/27/55/38/865275538.db2.gz YBEXDRVPXTYJAY-WMZHIEFXSA-N 2 2 379.548 3.928 20 0 GHADLP Cn1cc[nH+]c1C[C@H](NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC000608434491 865331246 /nfs/dbraw/zinc/33/12/46/865331246.db2.gz FATZZQXVXRZSCD-SFTDATJTSA-N 2 2 397.567 3.514 20 0 GHADLP CC(C)OCC[NH+]1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301420064 865351819 /nfs/dbraw/zinc/35/18/19/865351819.db2.gz DSDBLXLUJZCUOQ-UHFFFAOYSA-N 2 2 378.314 3.544 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)C2CC2)cc1 ZINC000171942277 865420932 /nfs/dbraw/zinc/42/09/32/865420932.db2.gz MUPTVNPIGXTGMU-UHFFFAOYSA-N 2 2 380.536 3.835 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@@H]32)cc1 ZINC000301707591 865502815 /nfs/dbraw/zinc/50/28/15/865502815.db2.gz JBQSZDFSCNUDPW-YADHBBJMSA-N 2 2 391.563 3.958 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@@H]32)cc1 ZINC000301707591 865502822 /nfs/dbraw/zinc/50/28/22/865502822.db2.gz JBQSZDFSCNUDPW-YADHBBJMSA-N 2 2 391.563 3.958 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1C ZINC000172269111 865542990 /nfs/dbraw/zinc/54/29/90/865542990.db2.gz LGHVPWZTUAKRLN-SFHVURJKSA-N 2 2 398.551 3.978 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H]([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001168342020 881909727 /nfs/dbraw/zinc/90/97/27/881909727.db2.gz YXPNYVWJEAWOIA-FYOYPEGLSA-N 2 2 393.959 3.902 20 0 GHADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(C(=O)OC)cc1 ZINC000550795394 881912199 /nfs/dbraw/zinc/91/21/99/881912199.db2.gz QUPRFXKHJSBZKY-DHIUTWEWSA-N 2 2 396.531 3.805 20 0 GHADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(C(=O)OC)cc1 ZINC000550795394 881912210 /nfs/dbraw/zinc/91/22/10/881912210.db2.gz QUPRFXKHJSBZKY-DHIUTWEWSA-N 2 2 396.531 3.805 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NCCC1=CCCCC1 ZINC000481167533 865907989 /nfs/dbraw/zinc/90/79/89/865907989.db2.gz GYROCPAAYCRBQN-SXWKCWPCSA-N 2 2 383.580 3.882 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NCCC1=CCCCC1 ZINC000481167533 865907999 /nfs/dbraw/zinc/90/79/99/865907999.db2.gz GYROCPAAYCRBQN-SXWKCWPCSA-N 2 2 383.580 3.882 20 0 GHADLP CC[N@H+](C[C@H](O)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000740880636 866064171 /nfs/dbraw/zinc/06/41/71/866064171.db2.gz ZCQLHMOUCFROBC-NRFANRHFSA-N 2 2 382.552 3.933 20 0 GHADLP CC[N@@H+](C[C@H](O)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000740880636 866064186 /nfs/dbraw/zinc/06/41/86/866064186.db2.gz ZCQLHMOUCFROBC-NRFANRHFSA-N 2 2 382.552 3.933 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534125888 866158551 /nfs/dbraw/zinc/15/85/51/866158551.db2.gz FGNXJGQCXDZZGU-MRXNPFEDSA-N 2 2 386.927 3.831 20 0 GHADLP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534128456 866178716 /nfs/dbraw/zinc/17/87/16/866178716.db2.gz JDIIUXXAKPISKP-QZTJIDSGSA-N 2 2 380.536 3.786 20 0 GHADLP c1ccc(C[N@H+]2CCC3(C2)CCN(c2cc(NCC4CC4)[nH+]cn2)CC3)cc1 ZINC000534237614 866347102 /nfs/dbraw/zinc/34/71/02/866347102.db2.gz LLRJYQWJOQDKAI-UHFFFAOYSA-N 2 2 377.536 3.791 20 0 GHADLP c1ccc(C[N@@H+]2CCC3(C2)CCN(c2cc(NCC4CC4)[nH+]cn2)CC3)cc1 ZINC000534237614 866347120 /nfs/dbraw/zinc/34/71/20/866347120.db2.gz LLRJYQWJOQDKAI-UHFFFAOYSA-N 2 2 377.536 3.791 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)([NH+]2CCCCC2)CC1 ZINC000534419988 866765016 /nfs/dbraw/zinc/76/50/16/866765016.db2.gz AEOFGHUWSZLVES-QHAWAJNXSA-N 2 2 375.601 3.659 20 0 GHADLP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000793234261 882028150 /nfs/dbraw/zinc/02/81/50/882028150.db2.gz YQRZIPRKZSRCTA-UHFFFAOYSA-N 2 2 393.494 3.685 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000741969778 866958845 /nfs/dbraw/zinc/95/88/45/866958845.db2.gz KFFYVQXEDATLNL-KRWDZBQOSA-N 2 2 378.476 3.840 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000741969778 866958860 /nfs/dbraw/zinc/95/88/60/866958860.db2.gz KFFYVQXEDATLNL-KRWDZBQOSA-N 2 2 378.476 3.840 20 0 GHADLP C[C@H]1C[NH+](CCCNc2cc[nH+]c3c(Br)cccc23)C[C@H](C)O1 ZINC000523299016 867013371 /nfs/dbraw/zinc/01/33/71/867013371.db2.gz UBGUJSUOYUFEDX-KBPBESRZSA-N 2 2 378.314 3.909 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(-n4ccnc4)c(F)c3)CC2)cc1 ZINC000742377471 867270436 /nfs/dbraw/zinc/27/04/36/867270436.db2.gz DKTLTZGEDRJMNN-UHFFFAOYSA-N 2 2 393.510 3.836 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Br)cn1 ZINC000479329152 867573884 /nfs/dbraw/zinc/57/38/84/867573884.db2.gz GDRGGVJCYSTCNB-OAHLLOKOSA-N 2 2 390.325 3.527 20 0 GHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000523593842 867617644 /nfs/dbraw/zinc/61/76/44/867617644.db2.gz PJRWDXWGWJZWJN-GHTZIAJQSA-N 2 2 389.503 3.507 20 0 GHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000523593842 867617656 /nfs/dbraw/zinc/61/76/56/867617656.db2.gz PJRWDXWGWJZWJN-GHTZIAJQSA-N 2 2 389.503 3.507 20 0 GHADLP CCOc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1OCC ZINC000154920326 867662391 /nfs/dbraw/zinc/66/23/91/867662391.db2.gz PFLCBEWPDBFMIC-UGKGYDQZSA-N 2 2 397.563 3.922 20 0 GHADLP CCOc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1OCC ZINC000154920326 867662398 /nfs/dbraw/zinc/66/23/98/867662398.db2.gz PFLCBEWPDBFMIC-UGKGYDQZSA-N 2 2 397.563 3.922 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Br)cn1 ZINC000479364785 867670993 /nfs/dbraw/zinc/67/09/93/867670993.db2.gz WPJZHPCLQBAIEV-HNNXBMFYSA-N 2 2 390.325 3.527 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)NCCCn1cc[nH+]c1C)c1cccc(C(F)(F)F)c1 ZINC000523681585 867769109 /nfs/dbraw/zinc/76/91/09/867769109.db2.gz GSESADHFYBSXJS-SFHVURJKSA-N 2 2 396.457 3.800 20 0 GHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3nc(-c4ccccc4)c[nH]3)c2)CCO1 ZINC000194259327 882158659 /nfs/dbraw/zinc/15/86/59/882158659.db2.gz VIDZVWGMPIQLCG-SFHVURJKSA-N 2 2 376.504 3.587 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3nc(-c4ccccc4)c[nH]3)c2)CCO1 ZINC000194259327 882158669 /nfs/dbraw/zinc/15/86/69/882158669.db2.gz VIDZVWGMPIQLCG-SFHVURJKSA-N 2 2 376.504 3.587 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)nnn1-c1cccc(Cl)c1 ZINC000156214093 868290269 /nfs/dbraw/zinc/29/02/69/868290269.db2.gz SIRBKDPTQWUHET-OAHLLOKOSA-N 2 2 396.926 3.944 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CCCC1)c1ccccc1 ZINC000535178762 868328466 /nfs/dbraw/zinc/32/84/66/868328466.db2.gz MCXNLSQEVTZGBJ-QUCCMNQESA-N 2 2 395.551 3.583 20 0 GHADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000479830967 868577941 /nfs/dbraw/zinc/57/79/41/868577941.db2.gz PSESJSFWUVGWFT-DLBZAZTESA-N 2 2 393.601 3.761 20 0 GHADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000479830967 868577947 /nfs/dbraw/zinc/57/79/47/868577947.db2.gz PSESJSFWUVGWFT-DLBZAZTESA-N 2 2 393.601 3.761 20 0 GHADLP CC[C@@H](C)[C@H]([NH2+]C1CC[NH+](C)CC1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000157166719 868579536 /nfs/dbraw/zinc/57/95/36/868579536.db2.gz ULBJLYGTRUGJCR-XXBNENTESA-N 2 2 385.596 3.566 20 0 GHADLP C[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000157408763 868646697 /nfs/dbraw/zinc/64/66/97/868646697.db2.gz ZBWRIUGQEVUZOL-BVOGOJNSSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000157408763 868646706 /nfs/dbraw/zinc/64/67/06/868646706.db2.gz ZBWRIUGQEVUZOL-BVOGOJNSSA-N 2 2 378.605 3.544 20 0 GHADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000475638884 869224595 /nfs/dbraw/zinc/22/45/95/869224595.db2.gz LKNGRRUGCRGBHE-IBGZPJMESA-N 2 2 382.552 3.537 20 0 GHADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000475638884 869224603 /nfs/dbraw/zinc/22/46/03/869224603.db2.gz LKNGRRUGCRGBHE-IBGZPJMESA-N 2 2 382.552 3.537 20 0 GHADLP Cn1cc(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000121794794 882283603 /nfs/dbraw/zinc/28/36/03/882283603.db2.gz SCFMDHPJXKMBJQ-HSZRJFAPSA-N 2 2 375.520 3.626 20 0 GHADLP Cn1cc(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000121794794 882283615 /nfs/dbraw/zinc/28/36/15/882283615.db2.gz SCFMDHPJXKMBJQ-HSZRJFAPSA-N 2 2 375.520 3.626 20 0 GHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(-n2cccn2)cc1 ZINC000539692277 869616478 /nfs/dbraw/zinc/61/64/78/869616478.db2.gz ZXNAHBPRGUIUMT-SFHVURJKSA-N 2 2 390.535 3.971 20 0 GHADLP Cc1cccc(C)c1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539707483 869633050 /nfs/dbraw/zinc/63/30/50/869633050.db2.gz CQADBMJFGLWUIQ-DHIUTWEWSA-N 2 2 385.596 3.642 20 0 GHADLP Cc1cccc(C)c1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539707483 869633057 /nfs/dbraw/zinc/63/30/57/869633057.db2.gz CQADBMJFGLWUIQ-DHIUTWEWSA-N 2 2 385.596 3.642 20 0 GHADLP CN(C(=O)c1ccnc2ccccc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248387514 870353824 /nfs/dbraw/zinc/35/38/24/870353824.db2.gz PHHKHMQPHJGOSD-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccnc2ccccc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248387514 870353840 /nfs/dbraw/zinc/35/38/40/870353840.db2.gz PHHKHMQPHJGOSD-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP c1nnc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1-c1ccccc1 ZINC000248396443 870366994 /nfs/dbraw/zinc/36/69/94/870366994.db2.gz GZLCHSWCKXWDNT-MDNUFGMLSA-N 2 2 387.531 3.658 20 0 GHADLP c1nnc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1-c1ccccc1 ZINC000248396443 870367020 /nfs/dbraw/zinc/36/70/20/870367020.db2.gz GZLCHSWCKXWDNT-MDNUFGMLSA-N 2 2 387.531 3.658 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000462911091 870370268 /nfs/dbraw/zinc/37/02/68/870370268.db2.gz FEXYLWSECHKUHZ-OAHLLOKOSA-N 2 2 386.458 3.816 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2C(C)C)[C@@H](C)C1 ZINC000249486956 870844243 /nfs/dbraw/zinc/84/42/43/870844243.db2.gz YLKDEEYYRDAPRI-PZJWPPBQSA-N 2 2 389.584 3.784 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2C(C)C)[C@@H](C)C1 ZINC000249486956 870844248 /nfs/dbraw/zinc/84/42/48/870844248.db2.gz YLKDEEYYRDAPRI-PZJWPPBQSA-N 2 2 389.584 3.784 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CN1C(=O)OC(C)(C)C ZINC001168870917 870923219 /nfs/dbraw/zinc/92/32/19/870923219.db2.gz GNJYNMHVKSYHEH-PGRDOPGGSA-N 2 2 399.579 3.907 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CN1C(=O)OC(C)(C)C ZINC001168870917 870923226 /nfs/dbraw/zinc/92/32/26/870923226.db2.gz GNJYNMHVKSYHEH-PGRDOPGGSA-N 2 2 399.579 3.907 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H](CN2CCOCC2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463148008 871015792 /nfs/dbraw/zinc/01/57/92/871015792.db2.gz WKQPGSACYUAGSY-NQHRYMMQSA-N 2 2 393.575 3.703 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H](CN2CCOCC2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463148008 871015805 /nfs/dbraw/zinc/01/58/05/871015805.db2.gz WKQPGSACYUAGSY-NQHRYMMQSA-N 2 2 393.575 3.703 20 0 GHADLP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1nccs1 ZINC000538985118 871051828 /nfs/dbraw/zinc/05/18/28/871051828.db2.gz FFVFIARQKVRJCF-CYBMUJFWSA-N 2 2 384.471 3.765 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000463167163 871064565 /nfs/dbraw/zinc/06/45/65/871064565.db2.gz DJJPGFHTXYZFEN-MSOLQXFVSA-N 2 2 375.582 3.608 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000463167163 871064587 /nfs/dbraw/zinc/06/45/87/871064587.db2.gz DJJPGFHTXYZFEN-MSOLQXFVSA-N 2 2 375.582 3.608 20 0 GHADLP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1C ZINC000429710774 871067386 /nfs/dbraw/zinc/06/73/86/871067386.db2.gz ZSLDLFIKWIYDFF-HXUWFJFHSA-N 2 2 384.520 3.598 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000463247698 871262905 /nfs/dbraw/zinc/26/29/05/871262905.db2.gz XSECJTWCQNADOF-OAHLLOKOSA-N 2 2 386.458 3.644 20 0 GHADLP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1c(Br)ccc2[nH+]ccn21 ZINC001169180795 871305587 /nfs/dbraw/zinc/30/55/87/871305587.db2.gz RNUNTWXDJBHIMG-UHFFFAOYSA-N 2 2 399.292 3.859 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)CC1 ZINC001169263873 871328798 /nfs/dbraw/zinc/32/87/98/871328798.db2.gz CHRBLOIBFJOPKB-UHFFFAOYSA-N 2 2 378.973 3.946 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)CC1 ZINC001169263873 871328819 /nfs/dbraw/zinc/32/88/19/871328819.db2.gz CHRBLOIBFJOPKB-UHFFFAOYSA-N 2 2 378.973 3.946 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](C)c3cccs3)CC2)cc1 ZINC001169315009 871382143 /nfs/dbraw/zinc/38/21/43/871382143.db2.gz BGTVNOPVTOXUIE-SFHVURJKSA-N 2 2 385.577 3.867 20 0 GHADLP Cc1cccc2sc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c(Cl)c21 ZINC000618401281 871579191 /nfs/dbraw/zinc/57/91/91/871579191.db2.gz XEHIUUMRHIEZTB-UHFFFAOYSA-N 2 2 393.984 3.961 20 0 GHADLP Cc1cccc2sc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c(Cl)c21 ZINC000618401281 871579206 /nfs/dbraw/zinc/57/92/06/871579206.db2.gz XEHIUUMRHIEZTB-UHFFFAOYSA-N 2 2 393.984 3.961 20 0 GHADLP Cc1cc2[nH+]ccn2cc1N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169517591 871625000 /nfs/dbraw/zinc/62/50/00/871625000.db2.gz GXUSNYIRDRVHSJ-QUCCMNQESA-N 2 2 378.476 3.514 20 0 GHADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-c3ccccc3OC)cc2)CC1 ZINC000539362188 871826422 /nfs/dbraw/zinc/82/64/22/871826422.db2.gz NQNWXQFBCBQNNT-MOPGFXCFSA-N 2 2 395.547 3.565 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C2 ZINC000525997790 871839650 /nfs/dbraw/zinc/83/96/50/871839650.db2.gz NCHBDCKMKSJKBC-UXHICEINSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)C2 ZINC000525997790 871839670 /nfs/dbraw/zinc/83/96/70/871839670.db2.gz NCHBDCKMKSJKBC-UXHICEINSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)CC2 ZINC000525997790 871839686 /nfs/dbraw/zinc/83/96/86/871839686.db2.gz NCHBDCKMKSJKBC-UXHICEINSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)CC2 ZINC000525997790 871839702 /nfs/dbraw/zinc/83/97/02/871839702.db2.gz NCHBDCKMKSJKBC-UXHICEINSA-N 2 2 394.563 3.809 20 0 GHADLP CN(c1ccccc1C[N@@H+]1CCO[C@H](c2ccccc2F)C1)C1CC[NH+](C)CC1 ZINC000092975262 871893657 /nfs/dbraw/zinc/89/36/57/871893657.db2.gz CSDBWLHGKHNSFB-DEOSSOPVSA-N 2 2 397.538 3.930 20 0 GHADLP CN(c1ccccc1C[N@H+]1CCO[C@H](c2ccccc2F)C1)C1CC[NH+](C)CC1 ZINC000092975262 871893680 /nfs/dbraw/zinc/89/36/80/871893680.db2.gz CSDBWLHGKHNSFB-DEOSSOPVSA-N 2 2 397.538 3.930 20 0 GHADLP CC[N@H+](CCCC(=O)Nc1cccc2[nH+]ccn21)[C@@H](C)Cc1ccc(O)cc1 ZINC001183045572 912215373 /nfs/dbraw/zinc/21/53/73/912215373.db2.gz IOIJERHXPPTBDE-KRWDZBQOSA-N 2 2 380.492 3.712 20 0 GHADLP CC[N@@H+](CCCC(=O)Nc1cccc2[nH+]ccn21)[C@@H](C)Cc1ccc(O)cc1 ZINC001183045572 912215388 /nfs/dbraw/zinc/21/53/88/912215388.db2.gz IOIJERHXPPTBDE-KRWDZBQOSA-N 2 2 380.492 3.712 20 0 GHADLP CC[N@H+](CCC(=O)c1ccc(OC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000509658019 872013781 /nfs/dbraw/zinc/01/37/81/872013781.db2.gz MRWDQXWFZLJQER-UHFFFAOYSA-N 2 2 381.520 3.902 20 0 GHADLP CC[N@@H+](CCC(=O)c1ccc(OC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000509658019 872013802 /nfs/dbraw/zinc/01/38/02/872013802.db2.gz MRWDQXWFZLJQER-UHFFFAOYSA-N 2 2 381.520 3.902 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(N2CCCC2=O)c1 ZINC000540757538 872069851 /nfs/dbraw/zinc/06/98/51/872069851.db2.gz XKHOYPPLDVFCOK-UTKZUKDTSA-N 2 2 393.535 3.522 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1OC(F)F ZINC000540757032 872071239 /nfs/dbraw/zinc/07/12/39/872071239.db2.gz VQLBPVDQOAQTMX-ZBFHGGJFSA-N 2 2 376.451 3.996 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000477918552 872180219 /nfs/dbraw/zinc/18/02/19/872180219.db2.gz VIVZTYUSXSFAIK-LEWJYISDSA-N 2 2 392.609 3.792 20 0 GHADLP COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(OCc2cccnc2)c1 ZINC000447747615 872236086 /nfs/dbraw/zinc/23/60/86/872236086.db2.gz UUCNTJMBFWWLFI-UHFFFAOYSA-N 2 2 378.476 3.703 20 0 GHADLP CC(C)C(CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000447821774 872322107 /nfs/dbraw/zinc/32/21/07/872322107.db2.gz MPBLVQVNCYNIJR-FGZHOGPDSA-N 2 2 394.648 3.893 20 0 GHADLP CC(C)C(CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000447821774 872322123 /nfs/dbraw/zinc/32/21/23/872322123.db2.gz MPBLVQVNCYNIJR-FGZHOGPDSA-N 2 2 394.648 3.893 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000463704693 872374473 /nfs/dbraw/zinc/37/44/73/872374473.db2.gz NSOULTUHWYQOKP-OALUTQOASA-N 2 2 379.508 3.635 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000463704693 872374489 /nfs/dbraw/zinc/37/44/89/872374489.db2.gz NSOULTUHWYQOKP-OALUTQOASA-N 2 2 379.508 3.635 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[N@H+](CC3CCCCC3)CC1)C2 ZINC000526986688 872422541 /nfs/dbraw/zinc/42/25/41/872422541.db2.gz FHWADSAYTLSBEJ-LJQANCHMSA-N 2 2 386.584 3.753 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[N@@H+](CC3CCCCC3)CC1)C2 ZINC000526986688 872422547 /nfs/dbraw/zinc/42/25/47/872422547.db2.gz FHWADSAYTLSBEJ-LJQANCHMSA-N 2 2 386.584 3.753 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[N@H+](CC3CCCCC3)CC1)CC2 ZINC000526986688 872422557 /nfs/dbraw/zinc/42/25/57/872422557.db2.gz FHWADSAYTLSBEJ-LJQANCHMSA-N 2 2 386.584 3.753 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[N@@H+](CC3CCCCC3)CC1)CC2 ZINC000526986688 872422571 /nfs/dbraw/zinc/42/25/71/872422571.db2.gz FHWADSAYTLSBEJ-LJQANCHMSA-N 2 2 386.584 3.753 20 0 GHADLP CC[N@@H+](CC(=O)Nc1ccc(C)cc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108936 882616566 /nfs/dbraw/zinc/61/65/66/882616566.db2.gz PVHGJPMQYJUASO-UHFFFAOYSA-N 2 2 380.536 3.875 20 0 GHADLP CC[N@H+](CC(=O)Nc1ccc(C)cc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108936 882616571 /nfs/dbraw/zinc/61/65/71/882616571.db2.gz PVHGJPMQYJUASO-UHFFFAOYSA-N 2 2 380.536 3.875 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4ccc(Cl)nc43)CC2)cc1 ZINC000857913795 882634698 /nfs/dbraw/zinc/63/46/98/882634698.db2.gz NTSFVIKALXYZEZ-FQEVSTJZSA-N 2 2 398.938 3.935 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)cc(C(F)(F)F)c3)C2)CC1 ZINC000527116892 872697988 /nfs/dbraw/zinc/69/79/88/872697988.db2.gz QJFSIRUUKCMNBK-GOSISDBHSA-N 2 2 389.893 3.959 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(C(F)(F)F)c3)C2)CC1 ZINC000527116892 872697998 /nfs/dbraw/zinc/69/79/98/872697998.db2.gz QJFSIRUUKCMNBK-GOSISDBHSA-N 2 2 389.893 3.959 20 0 GHADLP CCOc1cc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC ZINC000133954944 882642863 /nfs/dbraw/zinc/64/28/63/882642863.db2.gz RMCBDXJETUCHCJ-UGKGYDQZSA-N 2 2 397.563 3.922 20 0 GHADLP CCOc1cc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC ZINC000133954944 882642867 /nfs/dbraw/zinc/64/28/67/882642867.db2.gz RMCBDXJETUCHCJ-UGKGYDQZSA-N 2 2 397.563 3.922 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527752702 873558705 /nfs/dbraw/zinc/55/87/05/873558705.db2.gz OCPSKRGTRULDNF-LJQANCHMSA-N 2 2 389.971 3.941 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527752702 873558712 /nfs/dbraw/zinc/55/87/12/873558712.db2.gz OCPSKRGTRULDNF-LJQANCHMSA-N 2 2 389.971 3.941 20 0 GHADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541528478 873778143 /nfs/dbraw/zinc/77/81/43/873778143.db2.gz QORTWOGXOSKCOO-IBGZPJMESA-N 2 2 398.378 3.948 20 0 GHADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541528478 873778148 /nfs/dbraw/zinc/77/81/48/873778148.db2.gz QORTWOGXOSKCOO-IBGZPJMESA-N 2 2 398.378 3.948 20 0 GHADLP CCOC(=O)c1nc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cs1 ZINC000609133733 874086188 /nfs/dbraw/zinc/08/61/88/874086188.db2.gz CTIFVPMKGIRFAH-UHFFFAOYSA-N 2 2 387.549 3.664 20 0 GHADLP CCOC(=O)c1nc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cs1 ZINC000609133733 874086201 /nfs/dbraw/zinc/08/62/01/874086201.db2.gz CTIFVPMKGIRFAH-UHFFFAOYSA-N 2 2 387.549 3.664 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NC[C@H]2CCc3ccccc32)cc1 ZINC001198041752 874195130 /nfs/dbraw/zinc/19/51/30/874195130.db2.gz KUTWUXNYGPONMA-JOCHJYFZSA-N 2 2 379.548 3.530 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NC[C@H]2CCc3ccccc32)cc1 ZINC001198041752 874195136 /nfs/dbraw/zinc/19/51/36/874195136.db2.gz KUTWUXNYGPONMA-JOCHJYFZSA-N 2 2 379.548 3.530 20 0 GHADLP CCC[C@@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1 ZINC000528317161 874367973 /nfs/dbraw/zinc/36/79/73/874367973.db2.gz SWOQDOONGAODSW-OAQYLSRUSA-N 2 2 391.987 3.899 20 0 GHADLP CC[N@@H+](CC(=O)N[C@H](C)c1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805079 874519043 /nfs/dbraw/zinc/51/90/43/874519043.db2.gz JNHBTRSEKCBUOE-GOSISDBHSA-N 2 2 398.526 3.636 20 0 GHADLP CC[N@H+](CC(=O)N[C@H](C)c1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805079 874519049 /nfs/dbraw/zinc/51/90/49/874519049.db2.gz JNHBTRSEKCBUOE-GOSISDBHSA-N 2 2 398.526 3.636 20 0 GHADLP CCn1nnc(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000449159297 874538629 /nfs/dbraw/zinc/53/86/29/874538629.db2.gz ZBRZBQHALGRJEK-LPHOPBHVSA-N 2 2 395.473 3.798 20 0 GHADLP CCn1nnc(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000449159297 874538634 /nfs/dbraw/zinc/53/86/34/874538634.db2.gz ZBRZBQHALGRJEK-LPHOPBHVSA-N 2 2 395.473 3.798 20 0 GHADLP COc1nccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000449159055 874555670 /nfs/dbraw/zinc/55/56/70/874555670.db2.gz XDPLBPQXQFMJIW-QAPCUYQASA-N 2 2 394.441 3.677 20 0 GHADLP COc1nccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000449159055 874555678 /nfs/dbraw/zinc/55/56/78/874555678.db2.gz XDPLBPQXQFMJIW-QAPCUYQASA-N 2 2 394.441 3.677 20 0 GHADLP CCOC(=O)c1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)[nH]c1C ZINC000449182162 874574975 /nfs/dbraw/zinc/57/49/75/874574975.db2.gz AWSUUTPQESLLDT-NRFANRHFSA-N 2 2 380.492 3.844 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCc4cc(F)c(F)c(F)c43)[nH+]c2)C1 ZINC000449207114 874586640 /nfs/dbraw/zinc/58/66/40/874586640.db2.gz MUDFHJJVWLATHM-ZBFHGGJFSA-N 2 2 376.426 3.739 20 0 GHADLP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000528586523 874747833 /nfs/dbraw/zinc/74/78/33/874747833.db2.gz YASLRLFKCNQIDX-JQKXYWIWSA-N 2 2 376.491 3.930 20 0 GHADLP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000528586523 874747846 /nfs/dbraw/zinc/74/78/46/874747846.db2.gz YASLRLFKCNQIDX-JQKXYWIWSA-N 2 2 376.491 3.930 20 0 GHADLP FC1(F)CC12C[C@H]1CC[C@@H](C2)[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000528586523 874747857 /nfs/dbraw/zinc/74/78/57/874747857.db2.gz YASLRLFKCNQIDX-JQKXYWIWSA-N 2 2 376.491 3.930 20 0 GHADLP FC1(F)CC12C[C@H]1CC[C@@H](C2)[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000528586523 874747871 /nfs/dbraw/zinc/74/78/71/874747871.db2.gz YASLRLFKCNQIDX-JQKXYWIWSA-N 2 2 376.491 3.930 20 0 GHADLP C[C@H]1CCC[C@@](CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)([NH+](C)C)C1 ZINC000542115271 874956232 /nfs/dbraw/zinc/95/62/32/874956232.db2.gz CJKGVTQAMYOERT-SIKLNZKXSA-N 2 2 389.588 3.595 20 0 GHADLP C[C@@H]1CCC[C@](CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)([NH+](C)C)C1 ZINC000542115270 874956652 /nfs/dbraw/zinc/95/66/52/874956652.db2.gz CJKGVTQAMYOERT-KNQAVFIVSA-N 2 2 389.588 3.595 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000237499324 882881055 /nfs/dbraw/zinc/88/10/55/882881055.db2.gz PSNPPOROADWBGN-CABCVRRESA-N 2 2 382.346 3.630 20 0 GHADLP C[C@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542132015 874986696 /nfs/dbraw/zinc/98/66/96/874986696.db2.gz GGARJLRJUQVZSE-IBGZPJMESA-N 2 2 380.536 3.743 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@H](C)CC3CCOCC3)CC2)cc1 ZINC000449523867 874997595 /nfs/dbraw/zinc/99/75/95/874997595.db2.gz MFSQPQNHLRXWDM-GOSISDBHSA-N 2 2 387.568 3.652 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cccc4cccnc43)CC2)cc1 ZINC000449525558 875003006 /nfs/dbraw/zinc/00/30/06/875003006.db2.gz VZOHNPRAUHCCJM-UHFFFAOYSA-N 2 2 388.515 3.947 20 0 GHADLP COCC[N@H+](CCC[NH+]1CCCCC1)Cc1cc(Br)cs1 ZINC001170028188 875311390 /nfs/dbraw/zinc/31/13/90/875311390.db2.gz ZWULNXFDTNMCER-UHFFFAOYSA-N 2 2 375.376 3.835 20 0 GHADLP COCC[N@@H+](CCC[NH+]1CCCCC1)Cc1cc(Br)cs1 ZINC001170028188 875311403 /nfs/dbraw/zinc/31/14/03/875311403.db2.gz ZWULNXFDTNMCER-UHFFFAOYSA-N 2 2 375.376 3.835 20 0 GHADLP COc1ccc([C@@H]2[C@H](COC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[N@@H+]2C)cc1 ZINC000776091938 875329140 /nfs/dbraw/zinc/32/91/40/875329140.db2.gz ZJJXJZUAVALOIQ-SIKLNZKXSA-N 2 2 391.471 3.731 20 0 GHADLP COc1ccc([C@@H]2[C@H](COC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[N@H+]2C)cc1 ZINC000776091938 875329153 /nfs/dbraw/zinc/32/91/53/875329153.db2.gz ZJJXJZUAVALOIQ-SIKLNZKXSA-N 2 2 391.471 3.731 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000771762177 875469193 /nfs/dbraw/zinc/46/91/93/875469193.db2.gz VVKFKMUUQCCPBE-SFTDATJTSA-N 2 2 387.474 3.521 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000771762177 875469196 /nfs/dbraw/zinc/46/91/96/875469196.db2.gz VVKFKMUUQCCPBE-SFTDATJTSA-N 2 2 387.474 3.521 20 0 GHADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1c(F)cccc1Br ZINC000192516467 882935541 /nfs/dbraw/zinc/93/55/41/882935541.db2.gz QNVKEJXJWKURJK-UHFFFAOYSA-N 2 2 381.289 3.818 20 0 GHADLP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001201593938 875772965 /nfs/dbraw/zinc/77/29/65/875772965.db2.gz BVTBYNVUYAMIJA-PKOBYXMFSA-N 2 2 375.557 3.790 20 0 GHADLP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001201593938 875772971 /nfs/dbraw/zinc/77/29/71/875772971.db2.gz BVTBYNVUYAMIJA-PKOBYXMFSA-N 2 2 375.557 3.790 20 0 GHADLP CC(C)Sc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000172754757 875901586 /nfs/dbraw/zinc/90/15/86/875901586.db2.gz ZFFQCUMXBTXZQT-UHFFFAOYSA-N 2 2 389.609 3.867 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2cc3cc(Cl)ccc3o2)([NH+]2CCCCC2)CC1 ZINC000172754011 875901637 /nfs/dbraw/zinc/90/16/37/875901637.db2.gz WUNGNNGXLPRVDZ-UHFFFAOYSA-N 2 2 389.927 3.766 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001170050774 876261216 /nfs/dbraw/zinc/26/12/16/876261216.db2.gz DITATWTZCGLQHY-UWVAXJGDSA-N 2 2 384.524 3.996 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)C[C@@H]1c1ccccc1 ZINC000551006778 883037979 /nfs/dbraw/zinc/03/79/79/883037979.db2.gz YXYBHUIBKGMMHR-MDNUFGMLSA-N 2 2 393.531 3.729 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)C[C@@H]1c1ccccc1 ZINC000551006778 883037992 /nfs/dbraw/zinc/03/79/92/883037992.db2.gz YXYBHUIBKGMMHR-MDNUFGMLSA-N 2 2 393.531 3.729 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000192925572 883048558 /nfs/dbraw/zinc/04/85/58/883048558.db2.gz OZELFRAFBNSIOW-QHCPKHFHSA-N 3 2 395.566 3.944 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000192925572 883048577 /nfs/dbraw/zinc/04/85/77/883048577.db2.gz OZELFRAFBNSIOW-QHCPKHFHSA-N 3 2 395.566 3.944 20 0 GHADLP COC(=O)c1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1Cl ZINC000450796171 876901126 /nfs/dbraw/zinc/90/11/26/876901126.db2.gz VPUBCWYLFSRFIA-PXNSSMCTSA-N 2 2 387.911 3.646 20 0 GHADLP COC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1Cl ZINC000450796171 876901137 /nfs/dbraw/zinc/90/11/37/876901137.db2.gz VPUBCWYLFSRFIA-PXNSSMCTSA-N 2 2 387.911 3.646 20 0 GHADLP COC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1Cl ZINC000450796171 876901142 /nfs/dbraw/zinc/90/11/42/876901142.db2.gz VPUBCWYLFSRFIA-PXNSSMCTSA-N 2 2 387.911 3.646 20 0 GHADLP COC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1Cl ZINC000450796171 876901150 /nfs/dbraw/zinc/90/11/50/876901150.db2.gz VPUBCWYLFSRFIA-PXNSSMCTSA-N 2 2 387.911 3.646 20 0 GHADLP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000850436940 876920736 /nfs/dbraw/zinc/92/07/36/876920736.db2.gz IEJGGMOBMNTUCW-KRWDZBQOSA-N 2 2 375.557 3.679 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000786837878 876956520 /nfs/dbraw/zinc/95/65/20/876956520.db2.gz MDHXFAXWBXNMCF-AVRDEDQJSA-N 2 2 378.520 3.531 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000786837878 876956528 /nfs/dbraw/zinc/95/65/28/876956528.db2.gz MDHXFAXWBXNMCF-AVRDEDQJSA-N 2 2 378.520 3.531 20 0 GHADLP Cc1ccc(CN(C(=O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C2CC2)o1 ZINC000174399326 877007594 /nfs/dbraw/zinc/00/75/94/877007594.db2.gz MUIHMPRDYPCNGG-OAQYLSRUSA-N 2 2 395.547 3.533 20 0 GHADLP Cc1ccc(CN(C(=O)C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C2CC2)o1 ZINC000174399326 877007607 /nfs/dbraw/zinc/00/76/07/877007607.db2.gz MUIHMPRDYPCNGG-OAQYLSRUSA-N 2 2 395.547 3.533 20 0 GHADLP Cc1ccc(CN(C(=O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)o1 ZINC000174399326 877007618 /nfs/dbraw/zinc/00/76/18/877007618.db2.gz MUIHMPRDYPCNGG-OAQYLSRUSA-N 2 2 395.547 3.533 20 0 GHADLP Cc1ccc(CN(C(=O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)o1 ZINC000174399326 877007629 /nfs/dbraw/zinc/00/76/29/877007629.db2.gz MUIHMPRDYPCNGG-OAQYLSRUSA-N 2 2 395.547 3.533 20 0 GHADLP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(F)c(Br)c1 ZINC000530237201 877342619 /nfs/dbraw/zinc/34/26/19/877342619.db2.gz VEGKKYIUZZAVKM-QAPCUYQASA-N 2 2 385.321 3.618 20 0 GHADLP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(F)c(Br)c1 ZINC000530237201 877342630 /nfs/dbraw/zinc/34/26/30/877342630.db2.gz VEGKKYIUZZAVKM-QAPCUYQASA-N 2 2 385.321 3.618 20 0 GHADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)oc1C ZINC000667006644 877607341 /nfs/dbraw/zinc/60/73/41/877607341.db2.gz HLJQHJIVQYNAMJ-FGZHOGPDSA-N 3 2 382.552 3.586 20 0 GHADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCN[C@@H](c4ccccc4)C3)CC2)oc1C ZINC000667006644 877607357 /nfs/dbraw/zinc/60/73/57/877607357.db2.gz HLJQHJIVQYNAMJ-FGZHOGPDSA-N 2 2 382.552 3.586 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@H]1c1ccccc1 ZINC000530519762 877972620 /nfs/dbraw/zinc/97/26/20/877972620.db2.gz BFIGYCRUJUEVDS-RBUKOAKNSA-N 2 2 399.564 3.696 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@H]1c1ccccc1 ZINC000530519762 877972633 /nfs/dbraw/zinc/97/26/33/877972633.db2.gz BFIGYCRUJUEVDS-RBUKOAKNSA-N 2 2 399.564 3.696 20 0 GHADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451538660 878098102 /nfs/dbraw/zinc/09/81/02/878098102.db2.gz TWXCGDYHDCWGNL-GCJKJVERSA-N 2 2 393.522 3.682 20 0 GHADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451538660 878098118 /nfs/dbraw/zinc/09/81/18/878098118.db2.gz TWXCGDYHDCWGNL-GCJKJVERSA-N 2 2 393.522 3.682 20 0 GHADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451538660 878098124 /nfs/dbraw/zinc/09/81/24/878098124.db2.gz TWXCGDYHDCWGNL-GCJKJVERSA-N 2 2 393.522 3.682 20 0 GHADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451538660 878098144 /nfs/dbraw/zinc/09/81/44/878098144.db2.gz TWXCGDYHDCWGNL-GCJKJVERSA-N 2 2 393.522 3.682 20 0 GHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000788608302 878202682 /nfs/dbraw/zinc/20/26/82/878202682.db2.gz MWAVYXMXPHVTPP-IAGOWNOFSA-N 2 2 375.557 3.961 20 0 GHADLP CC(C)(C)OC(=O)N1CCC([C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)CC1 ZINC000852300895 878211792 /nfs/dbraw/zinc/21/17/92/878211792.db2.gz MHURVYLQPOCDMQ-IBGZPJMESA-N 2 2 376.545 3.632 20 0 GHADLP CC(C)(C)OC(=O)N1CCC([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)CC1 ZINC000852300895 878211810 /nfs/dbraw/zinc/21/18/10/878211810.db2.gz MHURVYLQPOCDMQ-IBGZPJMESA-N 2 2 376.545 3.632 20 0 GHADLP CN(C(=O)c1ccc2ncccc2c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245678166 878358873 /nfs/dbraw/zinc/35/88/73/878358873.db2.gz GNRFACRBMFGREE-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccc2ncccc2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245678166 878358883 /nfs/dbraw/zinc/35/88/83/878358883.db2.gz GNRFACRBMFGREE-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccccc1F ZINC000245743466 878518574 /nfs/dbraw/zinc/51/85/74/878518574.db2.gz SALGKHDJZAJKKM-XWSHUIEDSA-N 2 2 393.506 3.716 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccccc1F ZINC000245743466 878518590 /nfs/dbraw/zinc/51/85/90/878518590.db2.gz SALGKHDJZAJKKM-XWSHUIEDSA-N 2 2 393.506 3.716 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000245749724 878539283 /nfs/dbraw/zinc/53/92/83/878539283.db2.gz YOGIGQXRMBWQJX-LMMKCTJWSA-N 2 2 384.549 3.684 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000245749724 878539295 /nfs/dbraw/zinc/53/92/95/878539295.db2.gz YOGIGQXRMBWQJX-LMMKCTJWSA-N 2 2 384.549 3.684 20 0 GHADLP Clc1cc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cc(Cl)n1 ZINC000852762757 878585716 /nfs/dbraw/zinc/58/57/16/878585716.db2.gz VRNVDEJTPMSKOC-UHFFFAOYSA-N 2 2 394.350 3.958 20 0 GHADLP Clc1cc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc(Cl)n1 ZINC000852762757 878585732 /nfs/dbraw/zinc/58/57/32/878585732.db2.gz VRNVDEJTPMSKOC-UHFFFAOYSA-N 2 2 394.350 3.958 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000530840401 878593817 /nfs/dbraw/zinc/59/38/17/878593817.db2.gz BXHIPQGDYSOFFO-HXUWFJFHSA-N 2 2 397.910 3.628 20 0 GHADLP Cc1oc(C)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000670813387 878742315 /nfs/dbraw/zinc/74/23/15/878742315.db2.gz BLUTVZHIFVLIJW-VQTJNVASSA-N 2 2 375.557 3.614 20 0 GHADLP Cc1oc(C)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000670813387 878742328 /nfs/dbraw/zinc/74/23/28/878742328.db2.gz BLUTVZHIFVLIJW-VQTJNVASSA-N 2 2 375.557 3.614 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000460987194 878936243 /nfs/dbraw/zinc/93/62/43/878936243.db2.gz KPAQQUOXEIASSH-OALUTQOASA-N 2 2 398.378 3.581 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000460987194 878936250 /nfs/dbraw/zinc/93/62/50/878936250.db2.gz KPAQQUOXEIASSH-OALUTQOASA-N 2 2 398.378 3.581 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c(C)o1 ZINC000531103988 879135452 /nfs/dbraw/zinc/13/54/52/879135452.db2.gz VBHKMULPWMUGDZ-HSZRJFAPSA-N 2 2 382.504 3.863 20 0 GHADLP COC(=O)c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c(C)o1 ZINC000531103988 879135465 /nfs/dbraw/zinc/13/54/65/879135465.db2.gz VBHKMULPWMUGDZ-HSZRJFAPSA-N 2 2 382.504 3.863 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(C)o1 ZINC000531103988 879135467 /nfs/dbraw/zinc/13/54/67/879135467.db2.gz VBHKMULPWMUGDZ-HSZRJFAPSA-N 2 2 382.504 3.863 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(C)o1 ZINC000531103988 879135470 /nfs/dbraw/zinc/13/54/70/879135470.db2.gz VBHKMULPWMUGDZ-HSZRJFAPSA-N 2 2 382.504 3.863 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000542465497 879414640 /nfs/dbraw/zinc/41/46/40/879414640.db2.gz CZMKDUOYZNSGSV-UHFFFAOYSA-N 2 2 391.302 3.877 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000542465497 879414647 /nfs/dbraw/zinc/41/46/47/879414647.db2.gz CZMKDUOYZNSGSV-UHFFFAOYSA-N 2 2 391.302 3.877 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2ccc3c4c(cccc42)CC3)([NH+]2CCCCC2)CC1 ZINC000461300901 879566779 /nfs/dbraw/zinc/56/67/79/879566779.db2.gz ZCTGZYBGEVZCCA-UHFFFAOYSA-N 2 2 391.559 3.619 20 0 GHADLP C[N@@H+](Cc1ccccc1-c1ccccc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790363806 879631087 /nfs/dbraw/zinc/63/10/87/879631087.db2.gz VHAGTNCHSGNYCR-DEOSSOPVSA-N 2 2 391.515 3.660 20 0 GHADLP C[N@H+](Cc1ccccc1-c1ccccc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790363806 879631092 /nfs/dbraw/zinc/63/10/92/879631092.db2.gz VHAGTNCHSGNYCR-DEOSSOPVSA-N 2 2 391.515 3.660 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccc(N2CCCOC2=O)cc1 ZINC000854222780 879640783 /nfs/dbraw/zinc/64/07/83/879640783.db2.gz MEHJVKAUVWNOOZ-NPFVIJTESA-N 2 2 397.494 3.969 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246823980 879816828 /nfs/dbraw/zinc/81/68/28/879816828.db2.gz NWAGABQCTMBUHD-KQKOIIKASA-N 2 2 383.580 3.763 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246823980 879816836 /nfs/dbraw/zinc/81/68/36/879816836.db2.gz NWAGABQCTMBUHD-KQKOIIKASA-N 2 2 383.580 3.763 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246823980 879816841 /nfs/dbraw/zinc/81/68/41/879816841.db2.gz NWAGABQCTMBUHD-KQKOIIKASA-N 2 2 383.580 3.763 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246823980 879816852 /nfs/dbraw/zinc/81/68/52/879816852.db2.gz NWAGABQCTMBUHD-KQKOIIKASA-N 2 2 383.580 3.763 20 0 GHADLP CN(C(=O)NCC1(C2CC2)CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246859170 879831321 /nfs/dbraw/zinc/83/13/21/879831321.db2.gz QSLITLXTBVSFKL-NHCUHLMSSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)NCC1(C2CC2)CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246859170 879831338 /nfs/dbraw/zinc/83/13/38/879831338.db2.gz QSLITLXTBVSFKL-NHCUHLMSSA-N 2 2 390.616 3.545 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cs2)cc1 ZINC000246979229 879870733 /nfs/dbraw/zinc/87/07/33/879870733.db2.gz OUXOKTVZFWASGR-PKOBYXMFSA-N 2 2 385.533 3.513 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cs2)cc1 ZINC000246979229 879870749 /nfs/dbraw/zinc/87/07/49/879870749.db2.gz OUXOKTVZFWASGR-PKOBYXMFSA-N 2 2 385.533 3.513 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cs2)cc1 ZINC000246979229 879870768 /nfs/dbraw/zinc/87/07/68/879870768.db2.gz OUXOKTVZFWASGR-PKOBYXMFSA-N 2 2 385.533 3.513 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cs2)cc1 ZINC000246979229 879870774 /nfs/dbraw/zinc/87/07/74/879870774.db2.gz OUXOKTVZFWASGR-PKOBYXMFSA-N 2 2 385.533 3.513 20 0 GHADLP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000461466399 879885522 /nfs/dbraw/zinc/88/55/22/879885522.db2.gz IVHMHKUQTGDJMW-OAQYLSRUSA-N 2 2 388.515 3.904 20 0 GHADLP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000461466399 879885534 /nfs/dbraw/zinc/88/55/34/879885534.db2.gz IVHMHKUQTGDJMW-OAQYLSRUSA-N 2 2 388.515 3.904 20 0 GHADLP CC(C)[C@H](C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[NH+]1CCCCC1 ZINC000791269456 880294729 /nfs/dbraw/zinc/29/47/29/880294729.db2.gz CBWWJWSGPFZQMK-WIYYLYMNSA-N 2 2 386.584 3.941 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000531962811 880827474 /nfs/dbraw/zinc/82/74/74/880827474.db2.gz RIGIBHUBEYLGRG-MSOLQXFVSA-N 2 2 379.976 3.787 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000531962812 880827808 /nfs/dbraw/zinc/82/78/08/880827808.db2.gz RIGIBHUBEYLGRG-QZTJIDSGSA-N 2 2 379.976 3.787 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)CC2)cc1 ZINC000429526104 880851020 /nfs/dbraw/zinc/85/10/20/880851020.db2.gz GHOXIPVKPDUASS-HSZRJFAPSA-N 2 2 385.596 3.582 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)CC2)cc1 ZINC000429526104 880851034 /nfs/dbraw/zinc/85/10/34/880851034.db2.gz GHOXIPVKPDUASS-HSZRJFAPSA-N 2 2 385.596 3.582 20 0 GHADLP C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000543707616 881025284 /nfs/dbraw/zinc/02/52/84/881025284.db2.gz KGCFCERHLYETSE-KNQAVFIVSA-N 2 2 398.595 3.560 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC(=O)Nc4ccccc43)CC2)c1 ZINC000542479745 881283958 /nfs/dbraw/zinc/28/39/58/881283958.db2.gz SWIRXDWNGJUFBS-JOCHJYFZSA-N 2 2 392.547 3.570 20 0 GHADLP C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001170248242 881296705 /nfs/dbraw/zinc/29/67/05/881296705.db2.gz NJBVYJQVQDWYJA-SFHVURJKSA-N 2 2 388.939 3.772 20 0 GHADLP COC(=O)CCC[C@@H]1CCC[C@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)C1 ZINC000551141465 883375661 /nfs/dbraw/zinc/37/56/61/883375661.db2.gz GUXXTKCYOVAOAF-BJLQDIEVSA-N 2 2 388.556 3.536 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000551210849 883489140 /nfs/dbraw/zinc/48/91/40/883489140.db2.gz AQGGGLQVBJVNNI-KBPBESRZSA-N 2 2 393.329 3.591 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1)c1cccc(Cl)c1 ZINC001130124264 883678509 /nfs/dbraw/zinc/67/85/09/883678509.db2.gz CCFCRAHWWNPHCG-BAGYTPMASA-N 2 2 397.950 3.676 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)c1cccc(Cl)c1 ZINC001130124264 883678514 /nfs/dbraw/zinc/67/85/14/883678514.db2.gz CCFCRAHWWNPHCG-BAGYTPMASA-N 2 2 397.950 3.676 20 0 GHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC3CC[NH+](C(C)(C)C)CC3)c2C1 ZINC000194772205 883929825 /nfs/dbraw/zinc/92/98/25/883929825.db2.gz JMPDVLNMOSINNS-UHFFFAOYSA-N 2 2 394.563 3.606 20 0 GHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC3CC[NH+](C(C)(C)C)CC3)c2C1 ZINC000194772205 883929839 /nfs/dbraw/zinc/92/98/39/883929839.db2.gz JMPDVLNMOSINNS-UHFFFAOYSA-N 2 2 394.563 3.606 20 0 GHADLP [NH3+]Cc1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000237971336 884007624 /nfs/dbraw/zinc/00/76/24/884007624.db2.gz MMNPIYJIZALWLP-SFHVURJKSA-N 2 2 375.875 3.505 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429546405 884021969 /nfs/dbraw/zinc/02/19/69/884021969.db2.gz HQOAFGCLYNLNHO-UGKGYDQZSA-N 2 2 379.548 3.697 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429546405 884021985 /nfs/dbraw/zinc/02/19/85/884021985.db2.gz HQOAFGCLYNLNHO-UGKGYDQZSA-N 2 2 379.548 3.697 20 0 GHADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3ccccc3Cn3cc[nH+]c3)ccc21 ZINC000455859724 884136246 /nfs/dbraw/zinc/13/62/46/884136246.db2.gz PRXFHHPXFDXLTC-QFIPXVFZSA-N 2 2 389.503 3.802 20 0 GHADLP O[C@H](COc1ccc(-c2ccccc2)cc1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495007283 884362898 /nfs/dbraw/zinc/36/28/98/884362898.db2.gz ULPCZTFRAJKWTJ-SFTDATJTSA-N 2 2 377.488 3.696 20 0 GHADLP O[C@H](COc1ccc(-c2ccccc2)cc1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495007283 884362949 /nfs/dbraw/zinc/36/29/49/884362949.db2.gz ULPCZTFRAJKWTJ-SFTDATJTSA-N 2 2 377.488 3.696 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCOc4ccccc43)CC2)cc1 ZINC000648751274 884756755 /nfs/dbraw/zinc/75/67/55/884756755.db2.gz JATKVFWSSNULSH-HXUWFJFHSA-N 2 2 393.531 3.765 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1C ZINC000154881518 884806239 /nfs/dbraw/zinc/80/62/39/884806239.db2.gz NJSDTZKJWDDYSS-UHFFFAOYSA-N 2 2 388.556 3.505 20 0 GHADLP COc1cc(N[C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc(OC)c1 ZINC000533077878 884897235 /nfs/dbraw/zinc/89/72/35/884897235.db2.gz ISTLUGINKMTULF-IBGZPJMESA-N 2 2 392.503 3.966 20 0 GHADLP COc1cc(N[C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc(OC)c1 ZINC000533077878 884897248 /nfs/dbraw/zinc/89/72/48/884897248.db2.gz ISTLUGINKMTULF-IBGZPJMESA-N 2 2 392.503 3.966 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000550586965 885059539 /nfs/dbraw/zinc/05/95/39/885059539.db2.gz FMMMPGJQYKDNPO-MOPGFXCFSA-N 2 2 377.532 3.607 20 0 GHADLP OCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000655766542 885380033 /nfs/dbraw/zinc/38/00/33/885380033.db2.gz IKFOTJYYWQZSKW-APWZRJJASA-N 2 2 387.351 3.650 20 0 GHADLP FC(F)(F)Oc1cccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)c1 ZINC000655767828 885473078 /nfs/dbraw/zinc/47/30/78/885473078.db2.gz ZOQJNXZXZPQOAS-PKOBYXMFSA-N 2 2 384.442 3.879 20 0 GHADLP Cc1cc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)ccc1[NH+](C)C ZINC001170527868 885565720 /nfs/dbraw/zinc/56/57/20/885565720.db2.gz BMBXREGJFHXMAK-UHFFFAOYSA-N 3 2 376.548 3.971 20 0 GHADLP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000532468801 885655463 /nfs/dbraw/zinc/65/54/63/885655463.db2.gz VANSPPYVQLAAHA-IBGZPJMESA-N 2 2 384.520 3.565 20 0 GHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000550661776 885786281 /nfs/dbraw/zinc/78/62/81/885786281.db2.gz IBVGWLYGFOQWOM-FYYLOGMGSA-N 2 2 383.511 3.587 20 0 GHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000550661776 885786291 /nfs/dbraw/zinc/78/62/91/885786291.db2.gz IBVGWLYGFOQWOM-FYYLOGMGSA-N 2 2 383.511 3.587 20 0 GHADLP CC[C@H](C)Oc1ccccc1/C=C/C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000105597865 886018248 /nfs/dbraw/zinc/01/82/48/886018248.db2.gz OZDQVLUPYLFHAT-YXBWYFRISA-N 2 2 399.579 3.552 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn(C)nc2Br)CC1 ZINC000862250206 886251381 /nfs/dbraw/zinc/25/13/81/886251381.db2.gz GQSANMJGCCGUHM-HNNXBMFYSA-N 2 2 383.378 3.659 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(C)nc2Br)CC1 ZINC000862250206 886251398 /nfs/dbraw/zinc/25/13/98/886251398.db2.gz GQSANMJGCCGUHM-HNNXBMFYSA-N 2 2 383.378 3.659 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000118782833 886266511 /nfs/dbraw/zinc/26/65/11/886266511.db2.gz SXPJAUABJWCTHX-FQEVSTJZSA-N 2 2 380.536 3.765 20 0 GHADLP COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000119331539 886596754 /nfs/dbraw/zinc/59/67/54/886596754.db2.gz VEOLCBBXCVOTCP-LJQANCHMSA-N 2 2 396.531 3.723 20 0 GHADLP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000119331539 886596768 /nfs/dbraw/zinc/59/67/68/886596768.db2.gz VEOLCBBXCVOTCP-LJQANCHMSA-N 2 2 396.531 3.723 20 0 GHADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001184205869 913071579 /nfs/dbraw/zinc/07/15/79/913071579.db2.gz DVDICBQHTOSUEL-NRFANRHFSA-N 2 2 375.557 3.601 20 0 GHADLP O=C(CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(Br)cc1 ZINC000236720488 886880236 /nfs/dbraw/zinc/88/02/36/886880236.db2.gz GVCJLGBAFCGFOQ-UHFFFAOYSA-N 2 2 399.292 3.753 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000236932318 886897269 /nfs/dbraw/zinc/89/72/69/886897269.db2.gz GCUHLJNRHFTDLS-AWEZNQCLSA-N 2 2 377.330 3.661 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000236932318 886897285 /nfs/dbraw/zinc/89/72/85/886897285.db2.gz GCUHLJNRHFTDLS-AWEZNQCLSA-N 2 2 377.330 3.661 20 0 GHADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(F)cc(Br)c1 ZINC000655756118 887223972 /nfs/dbraw/zinc/22/39/72/887223972.db2.gz OIGIVLSTOQTZOC-ROUUACIJSA-N 2 2 385.321 3.882 20 0 GHADLP C[N@H+](C/C=C/c1ccc(OCc2ccccc2)cc1)C1CC[NH+](CCO)CC1 ZINC000459333911 887430584 /nfs/dbraw/zinc/43/05/84/887430584.db2.gz JVTWNQLAOOJRNR-VMPITWQZSA-N 2 2 380.532 3.667 20 0 GHADLP C[N@@H+](C/C=C/c1ccc(OCc2ccccc2)cc1)C1CC[NH+](CCO)CC1 ZINC000459333911 887430590 /nfs/dbraw/zinc/43/05/90/887430590.db2.gz JVTWNQLAOOJRNR-VMPITWQZSA-N 2 2 380.532 3.667 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000809595352 887601368 /nfs/dbraw/zinc/60/13/68/887601368.db2.gz JTDJDKYPSXJOFS-QFBILLFUSA-N 2 2 385.943 3.678 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000809595352 887601373 /nfs/dbraw/zinc/60/13/73/887601373.db2.gz JTDJDKYPSXJOFS-QFBILLFUSA-N 2 2 385.943 3.678 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000809595352 887601378 /nfs/dbraw/zinc/60/13/78/887601378.db2.gz JTDJDKYPSXJOFS-QFBILLFUSA-N 2 2 385.943 3.678 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000809595352 887601383 /nfs/dbraw/zinc/60/13/83/887601383.db2.gz JTDJDKYPSXJOFS-QFBILLFUSA-N 2 2 385.943 3.678 20 0 GHADLP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ncc(C3OCCO3)s2)CC1 ZINC000809632509 887633660 /nfs/dbraw/zinc/63/36/60/887633660.db2.gz RMVDVQVKCNEXSI-UHFFFAOYSA-N 2 2 387.549 3.710 20 0 GHADLP Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c[nH+]1 ZINC000536618095 887669400 /nfs/dbraw/zinc/66/94/00/887669400.db2.gz DWWWYIKPAOEWEH-HNAYVOBHSA-N 2 2 390.890 3.727 20 0 GHADLP Cc1cc(NC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c[nH+]1 ZINC000536618095 887669406 /nfs/dbraw/zinc/66/94/06/887669406.db2.gz DWWWYIKPAOEWEH-HNAYVOBHSA-N 2 2 390.890 3.727 20 0 GHADLP COc1ccccc1[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000062360569 887747985 /nfs/dbraw/zinc/74/79/85/887747985.db2.gz TUCXZYUVTBYQON-GMAHTHKFSA-N 2 2 395.547 3.641 20 0 GHADLP CC(C)C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051759470 887783242 /nfs/dbraw/zinc/78/32/42/887783242.db2.gz FIXWBPMRAZUKBG-JOCHJYFZSA-N 2 2 386.584 3.632 20 0 GHADLP COc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)ccc1OC(=O)C1CC1 ZINC000809749760 887788232 /nfs/dbraw/zinc/78/82/32/887788232.db2.gz RKKFLTGAHIBTTH-UHFFFAOYSA-N 2 2 397.519 3.900 20 0 GHADLP CC(C)[C@](C)(Cc1ccccc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000865064758 888167479 /nfs/dbraw/zinc/16/74/79/888167479.db2.gz ZSKMZVFZFHFCST-DEOSSOPVSA-N 2 2 385.596 3.566 20 0 GHADLP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000810253302 888356247 /nfs/dbraw/zinc/35/62/47/888356247.db2.gz QMQDMEVWSYTGLS-IKGGRYGDSA-N 2 2 376.545 3.815 20 0 GHADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2F)c2ccccc2)CC1 ZINC000865445065 888358685 /nfs/dbraw/zinc/35/86/85/888358685.db2.gz DHQLBVGAYIWIQQ-HXUWFJFHSA-N 2 2 393.453 3.505 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1)c1ccc(Cl)cc1 ZINC000729683867 888526425 /nfs/dbraw/zinc/52/64/25/888526425.db2.gz DREZWKXEWGEYRV-LEWJYISDSA-N 2 2 399.922 3.545 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1)c1ccc(Cl)cc1 ZINC000729683867 888526439 /nfs/dbraw/zinc/52/64/39/888526439.db2.gz DREZWKXEWGEYRV-LEWJYISDSA-N 2 2 399.922 3.545 20 0 GHADLP CC(C)[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@H](O)c1ccccc1 ZINC000796070186 913269164 /nfs/dbraw/zinc/26/91/64/913269164.db2.gz DCQNJAHBGDMFMV-DNQXCXABSA-N 2 2 381.564 3.547 20 0 GHADLP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1OC ZINC000245588079 888989997 /nfs/dbraw/zinc/98/99/97/888989997.db2.gz KDXAEPLMALQNTC-CNNODRBYSA-N 2 2 397.563 3.778 20 0 GHADLP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1OC ZINC000245588079 888990004 /nfs/dbraw/zinc/99/00/04/888990004.db2.gz KDXAEPLMALQNTC-CNNODRBYSA-N 2 2 397.563 3.778 20 0 GHADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000245589447 889025861 /nfs/dbraw/zinc/02/58/61/889025861.db2.gz KQNKMVXELNYAAQ-LVCYWYKZSA-N 2 2 391.519 3.735 20 0 GHADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000245589447 889025878 /nfs/dbraw/zinc/02/58/78/889025878.db2.gz KQNKMVXELNYAAQ-LVCYWYKZSA-N 2 2 391.519 3.735 20 0 GHADLP CN(C(=O)c1cccc(Cl)c1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124572215 889679283 /nfs/dbraw/zinc/67/92/83/889679283.db2.gz PIMIHHFKZVBJCU-MOPGFXCFSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1cccc(Cl)c1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124572215 889679289 /nfs/dbraw/zinc/67/92/89/889679289.db2.gz PIMIHHFKZVBJCU-MOPGFXCFSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)CCCc1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124794031 889764295 /nfs/dbraw/zinc/76/42/95/889764295.db2.gz AXVMJBINCBFNEZ-PKTZIBPZSA-N 2 2 385.596 3.805 20 0 GHADLP CN(C(=O)CCCc1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124794031 889764300 /nfs/dbraw/zinc/76/43/00/889764300.db2.gz AXVMJBINCBFNEZ-PKTZIBPZSA-N 2 2 385.596 3.805 20 0 GHADLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c2ccccc2n1 ZINC000124992615 889840562 /nfs/dbraw/zinc/84/05/62/889840562.db2.gz XCEVFHKAWUAOAP-UTKZUKDTSA-N 2 2 376.504 3.639 20 0 GHADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c2ccccc2n1 ZINC000124992615 889840568 /nfs/dbraw/zinc/84/05/68/889840568.db2.gz XCEVFHKAWUAOAP-UTKZUKDTSA-N 2 2 376.504 3.639 20 0 GHADLP CC[C@@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[NH+](C)C ZINC000125124206 889881578 /nfs/dbraw/zinc/88/15/78/889881578.db2.gz ZXDYAMVTICFBCL-QFIPXVFZSA-N 2 2 376.504 3.555 20 0 GHADLP FC(F)Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126660989 890635934 /nfs/dbraw/zinc/63/59/34/890635934.db2.gz XDQASHKUVJIAMW-ZIAGYGMSSA-N 2 2 375.257 3.767 20 0 GHADLP FC(F)Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126660989 890635944 /nfs/dbraw/zinc/63/59/44/890635944.db2.gz XDQASHKUVJIAMW-ZIAGYGMSSA-N 2 2 375.257 3.767 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(Br)c3OC(F)F)CC[C@@H]21 ZINC000533558996 890843175 /nfs/dbraw/zinc/84/31/75/890843175.db2.gz YKQCREMLAQMOBS-WFASDCNBSA-N 2 2 389.284 3.967 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(Br)c3OC(F)F)CC[C@@H]21 ZINC000533558996 890843188 /nfs/dbraw/zinc/84/31/88/890843188.db2.gz YKQCREMLAQMOBS-WFASDCNBSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(Br)c3OC(F)F)CC[C@@H]21 ZINC000533558996 890843198 /nfs/dbraw/zinc/84/31/98/890843198.db2.gz YKQCREMLAQMOBS-WFASDCNBSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(Br)c3OC(F)F)CC[C@@H]21 ZINC000533558996 890843208 /nfs/dbraw/zinc/84/32/08/890843208.db2.gz YKQCREMLAQMOBS-WFASDCNBSA-N 2 2 389.284 3.967 20 0 GHADLP Cc1cc(C)c(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(C)[nH+]1 ZINC000455494698 891020252 /nfs/dbraw/zinc/02/02/52/891020252.db2.gz FBPPTKSIZAPDDE-RTWAWAEBSA-N 2 2 378.520 3.993 20 0 GHADLP Cc1cc(C)c(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(C)[nH+]1 ZINC000455494698 891020261 /nfs/dbraw/zinc/02/02/61/891020261.db2.gz FBPPTKSIZAPDDE-RTWAWAEBSA-N 2 2 378.520 3.993 20 0 GHADLP CCc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533649402 891042766 /nfs/dbraw/zinc/04/27/66/891042766.db2.gz UBMCFWXRTWWTPS-DHIUTWEWSA-N 2 2 385.596 3.587 20 0 GHADLP CCc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533649402 891042783 /nfs/dbraw/zinc/04/27/83/891042783.db2.gz UBMCFWXRTWWTPS-DHIUTWEWSA-N 2 2 385.596 3.587 20 0 GHADLP CC[C@H](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533672524 891052206 /nfs/dbraw/zinc/05/22/06/891052206.db2.gz ONVBTVMFTDFTCX-FMWKFLBASA-N 2 2 380.621 3.790 20 0 GHADLP CC[C@H](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533672524 891052218 /nfs/dbraw/zinc/05/22/18/891052218.db2.gz ONVBTVMFTDFTCX-FMWKFLBASA-N 2 2 380.621 3.790 20 0 GHADLP C[NH+](C)CCCOc1ccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000644871200 913522168 /nfs/dbraw/zinc/52/21/68/913522168.db2.gz OUAMIFUECZYTEP-NRFANRHFSA-N 2 2 392.503 3.901 20 0 GHADLP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497471005 891646791 /nfs/dbraw/zinc/64/67/91/891646791.db2.gz RMLKGXQJHYHTJB-PZJWPPBQSA-N 2 2 381.511 3.728 20 0 GHADLP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497471005 891646804 /nfs/dbraw/zinc/64/68/04/891646804.db2.gz RMLKGXQJHYHTJB-PZJWPPBQSA-N 2 2 381.511 3.728 20 0 GHADLP CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@@H+]3CC[C@@](C)(C[NH3+])C3)ccc21 ZINC000261822834 892131985 /nfs/dbraw/zinc/13/19/85/892131985.db2.gz PNRLRGIFQCERRA-HJPURHCSSA-N 2 2 378.520 3.812 20 0 GHADLP CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@H+]3CC[C@@](C)(C[NH3+])C3)ccc21 ZINC000261822834 892131993 /nfs/dbraw/zinc/13/19/93/892131993.db2.gz PNRLRGIFQCERRA-HJPURHCSSA-N 2 2 378.520 3.812 20 0 GHADLP C[C@H](CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)[C@H]1CCC[NH2+]C1 ZINC000262672364 892619557 /nfs/dbraw/zinc/61/95/57/892619557.db2.gz PGVPXLZLFXMENN-JTDSTZFVSA-N 2 2 395.950 3.586 20 0 GHADLP C[C@H](CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)[C@H]1CCC[NH2+]C1 ZINC000262672364 892619567 /nfs/dbraw/zinc/61/95/67/892619567.db2.gz PGVPXLZLFXMENN-JTDSTZFVSA-N 2 2 395.950 3.586 20 0 GHADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000778188202 893177306 /nfs/dbraw/zinc/17/73/06/893177306.db2.gz DOKMADJTRWHKIZ-HNNXBMFYSA-N 2 2 390.318 3.848 20 0 GHADLP Cc1ccc2cc[nH+]c(N3CCC(OCC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000645205654 913753628 /nfs/dbraw/zinc/75/36/28/913753628.db2.gz KKRDPVPQYGKHAL-OALUTQOASA-N 2 2 383.536 3.638 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(C4CCCCC4)CC3)CC2)CC1 ZINC000747990412 893370702 /nfs/dbraw/zinc/37/07/02/893370702.db2.gz KSLJJKWNAFUDOU-UHFFFAOYSA-N 2 2 390.616 3.547 20 0 GHADLP C[C@@](O)(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1Cl ZINC000815070265 893415254 /nfs/dbraw/zinc/41/52/54/893415254.db2.gz SANDDQDVHAPAGK-YVEFUNNKSA-N 2 2 398.732 3.913 20 0 GHADLP C[C@@](O)(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1Cl ZINC000815070265 893415262 /nfs/dbraw/zinc/41/52/62/893415262.db2.gz SANDDQDVHAPAGK-YVEFUNNKSA-N 2 2 398.732 3.913 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)C2CC2)cc1 ZINC000444796304 893548705 /nfs/dbraw/zinc/54/87/05/893548705.db2.gz BBZUZLXVNPBWTP-NRFANRHFSA-N 2 2 394.563 3.914 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)C2CC2)cc1 ZINC000444796304 893548720 /nfs/dbraw/zinc/54/87/20/893548720.db2.gz BBZUZLXVNPBWTP-NRFANRHFSA-N 2 2 394.563 3.914 20 0 GHADLP Clc1ccc([C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)cc1 ZINC000126654263 893765854 /nfs/dbraw/zinc/76/58/54/893765854.db2.gz DFQOVXZDGKXJOP-QFIPXVFZSA-N 2 2 396.922 3.689 20 0 GHADLP C[C@H]1CN(c2ccccc2C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCO1 ZINC000459554490 893793883 /nfs/dbraw/zinc/79/38/83/893793883.db2.gz DBBCSZDBDXCLDY-FQEVSTJZSA-N 2 2 382.552 3.801 20 0 GHADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC1 ZINC000459690161 894079042 /nfs/dbraw/zinc/07/90/42/894079042.db2.gz IQHRPTIESDKEAV-PFSLXQJOSA-N 2 2 378.582 3.954 20 0 GHADLP Cc1cc(C)c(-c2csc(NC(=O)C[N@H+](C)CCCn3cc[nH+]c3)n2)cc1C ZINC000537017083 894198995 /nfs/dbraw/zinc/19/89/95/894198995.db2.gz HVXGBKHVVUTRDX-UHFFFAOYSA-N 2 2 397.548 3.892 20 0 GHADLP Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+](C)CCCn3cc[nH+]c3)n2)cc1C ZINC000537017083 894199006 /nfs/dbraw/zinc/19/90/06/894199006.db2.gz HVXGBKHVVUTRDX-UHFFFAOYSA-N 2 2 397.548 3.892 20 0 GHADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000878498426 894336238 /nfs/dbraw/zinc/33/62/38/894336238.db2.gz FMQDJTVZLFCGDU-OAQYLSRUSA-N 2 2 396.560 3.544 20 0 GHADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000878498426 894336253 /nfs/dbraw/zinc/33/62/53/894336253.db2.gz FMQDJTVZLFCGDU-OAQYLSRUSA-N 2 2 396.560 3.544 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000816451477 894845473 /nfs/dbraw/zinc/84/54/73/894845473.db2.gz MLLJNLHBXXRGBS-AVRDEDQJSA-N 2 2 375.472 3.940 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000816451477 894845479 /nfs/dbraw/zinc/84/54/79/894845479.db2.gz MLLJNLHBXXRGBS-AVRDEDQJSA-N 2 2 375.472 3.940 20 0 GHADLP CC(C)[C@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC000537409190 894929089 /nfs/dbraw/zinc/92/90/89/894929089.db2.gz BRSSXLWQPSNYMU-TZIWHRDSSA-N 2 2 379.976 3.645 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc2c(c1)OCCCO2 ZINC000537455895 895033146 /nfs/dbraw/zinc/03/31/46/895033146.db2.gz LRBLOOUOTOUPFV-APWZRJJASA-N 2 2 382.508 3.556 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cnn(Cc2ccccc2)c1 ZINC000537458077 895058996 /nfs/dbraw/zinc/05/89/96/895058996.db2.gz URBKZTFTNSRGDH-GCJKJVERSA-N 2 2 390.535 3.640 20 0 GHADLP CN(C)C(=O)c1ccccc1C[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000897569462 895078994 /nfs/dbraw/zinc/07/89/94/895078994.db2.gz RFLFQRNJISBKGK-UHFFFAOYSA-N 2 2 391.559 3.976 20 0 GHADLP O=C(NCC1CC[NH+](C2CC2)CC1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000564723956 895211162 /nfs/dbraw/zinc/21/11/62/895211162.db2.gz IUQQNRCWDUPDQU-UHFFFAOYSA-N 2 2 393.535 3.882 20 0 GHADLP O=C(CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)N1CCCCC1 ZINC000565146973 895423562 /nfs/dbraw/zinc/42/35/62/895423562.db2.gz VTOKNVMRJQYPIG-BJKOFHAPSA-N 2 2 391.559 3.647 20 0 GHADLP O=C(CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)N1CCCCC1 ZINC000565146973 895423566 /nfs/dbraw/zinc/42/35/66/895423566.db2.gz VTOKNVMRJQYPIG-BJKOFHAPSA-N 2 2 391.559 3.647 20 0 GHADLP c1cn(C[C@@H]([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)c2ccccc2)c[nH+]1 ZINC000880570940 895753021 /nfs/dbraw/zinc/75/30/21/895753021.db2.gz ZYWGBXBCDOFVJG-XZOQPEGZSA-N 2 2 377.488 3.972 20 0 GHADLP CC[C@@H]([NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)s1 ZINC000565627336 895769415 /nfs/dbraw/zinc/76/94/15/895769415.db2.gz QZZHLGANRMIZCE-HUUCEWRRSA-N 2 2 392.956 3.575 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc4c3OC(C)(C)C=C4)CC2)CC1 ZINC000880639010 895781414 /nfs/dbraw/zinc/78/14/14/895781414.db2.gz XBOCTADZCAGBCZ-UHFFFAOYSA-N 2 2 398.551 3.551 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C(/C)c3cccc(Cl)c3)CC2)CC1 ZINC000817658668 895796426 /nfs/dbraw/zinc/79/64/26/895796426.db2.gz INEYKRRXKGTOEC-VLGSPTGOSA-N 2 2 389.971 3.762 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C(/C)c3cccc(Cl)c3)CC2)CC1 ZINC000817658668 895796453 /nfs/dbraw/zinc/79/64/53/895796453.db2.gz INEYKRRXKGTOEC-VLGSPTGOSA-N 2 2 389.971 3.762 20 0 GHADLP Cc1[nH+]cc(CNc2ccc(Cl)c(C[N@H+](C)CCO)c2)n1-c1ccccc1 ZINC000565676792 895801093 /nfs/dbraw/zinc/80/10/93/895801093.db2.gz CBNXPHRLHKJAST-UHFFFAOYSA-N 2 2 384.911 3.870 20 0 GHADLP Cc1[nH+]cc(CNc2ccc(Cl)c(C[N@@H+](C)CCO)c2)n1-c1ccccc1 ZINC000565676792 895801099 /nfs/dbraw/zinc/80/10/99/895801099.db2.gz CBNXPHRLHKJAST-UHFFFAOYSA-N 2 2 384.911 3.870 20 0 GHADLP O=C(Nc1cccc2c1CC[NH2+]C2)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000565998374 896037756 /nfs/dbraw/zinc/03/77/56/896037756.db2.gz GQIQDMHYHFFZKH-YADHBBJMSA-N 2 2 387.487 3.579 20 0 GHADLP Cc1cccn2cc(CC(=O)NC[C@H]3CCCC[N@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000566712150 896513497 /nfs/dbraw/zinc/51/34/97/896513497.db2.gz VSGZCYAJVZMDMB-OAQYLSRUSA-N 2 2 390.531 3.604 20 0 GHADLP Cc1cccn2cc(CC(=O)NC[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000566712150 896513508 /nfs/dbraw/zinc/51/35/08/896513508.db2.gz VSGZCYAJVZMDMB-OAQYLSRUSA-N 2 2 390.531 3.604 20 0 GHADLP CN(C(=O)N[C@H](C1CCC1)C1CCCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645828882 914081341 /nfs/dbraw/zinc/08/13/41/914081341.db2.gz DMFLGMOOXOQEJI-VXKWHMMOSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)N[C@H](C1CCC1)C1CCCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645828882 914081361 /nfs/dbraw/zinc/08/13/61/914081361.db2.gz DMFLGMOOXOQEJI-VXKWHMMOSA-N 2 2 390.616 3.545 20 0 GHADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(C)s1 ZINC000826261423 896750555 /nfs/dbraw/zinc/75/05/55/896750555.db2.gz FCJBYCAHZGHOPC-HNNXBMFYSA-N 2 2 396.564 3.860 20 0 GHADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000566986144 896770084 /nfs/dbraw/zinc/77/00/84/896770084.db2.gz PFSAUVGQSMSDTH-QGZVFWFLSA-N 2 2 396.560 3.968 20 0 GHADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000566986144 896770096 /nfs/dbraw/zinc/77/00/96/896770096.db2.gz PFSAUVGQSMSDTH-QGZVFWFLSA-N 2 2 396.560 3.968 20 0 GHADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000566986144 896770106 /nfs/dbraw/zinc/77/01/06/896770106.db2.gz PFSAUVGQSMSDTH-QGZVFWFLSA-N 2 2 396.560 3.968 20 0 GHADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000566986144 896770112 /nfs/dbraw/zinc/77/01/12/896770112.db2.gz PFSAUVGQSMSDTH-QGZVFWFLSA-N 2 2 396.560 3.968 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H]3CCc4cccc(Cl)c4C3)CC2)C1 ZINC001170945375 897262286 /nfs/dbraw/zinc/26/22/86/897262286.db2.gz WOCRKXJBCFOPIG-MJGOQNOKSA-N 2 2 390.955 3.547 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H]3CCc4cccc(Cl)c4C3)CC2)C1 ZINC001170945375 897262301 /nfs/dbraw/zinc/26/23/01/897262301.db2.gz WOCRKXJBCFOPIG-MJGOQNOKSA-N 2 2 390.955 3.547 20 0 GHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000883386393 897548838 /nfs/dbraw/zinc/54/88/38/897548838.db2.gz FLQJLGKLBPLXDF-CVDCTZTESA-N 3 2 378.520 3.916 20 0 GHADLP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883386979 897549967 /nfs/dbraw/zinc/54/99/67/897549967.db2.gz PQTMFKSXONUMTE-LAUBAEHRSA-N 2 2 378.476 3.640 20 0 GHADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001136378205 897550982 /nfs/dbraw/zinc/55/09/82/897550982.db2.gz CDUIFYWXKBHJGY-BMQTXXJKSA-N 2 2 391.987 3.787 20 0 GHADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001136378205 897550998 /nfs/dbraw/zinc/55/09/98/897550998.db2.gz CDUIFYWXKBHJGY-BMQTXXJKSA-N 2 2 391.987 3.787 20 0 GHADLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001136378205 897551003 /nfs/dbraw/zinc/55/10/03/897551003.db2.gz CDUIFYWXKBHJGY-BMQTXXJKSA-N 2 2 391.987 3.787 20 0 GHADLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001136378205 897551017 /nfs/dbraw/zinc/55/10/17/897551017.db2.gz CDUIFYWXKBHJGY-BMQTXXJKSA-N 2 2 391.987 3.787 20 0 GHADLP O=C1CCN1c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000569220856 898440010 /nfs/dbraw/zinc/44/00/10/898440010.db2.gz FNADZWPBHLXHDU-OAQYLSRUSA-N 2 2 375.516 3.710 20 0 GHADLP O=C1CCN1c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000569220856 898440018 /nfs/dbraw/zinc/44/00/18/898440018.db2.gz FNADZWPBHLXHDU-OAQYLSRUSA-N 2 2 375.516 3.710 20 0 GHADLP CC[NH+](CC)CCOc1ccc(-c2noc([C@@H]3[NH2+]CCc4ccccc43)n2)cc1 ZINC000822918512 898721774 /nfs/dbraw/zinc/72/17/74/898721774.db2.gz BJCTZUKADRSPPD-OAQYLSRUSA-N 2 2 392.503 3.692 20 0 GHADLP COCCn1cc2c(n1)[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)CCC2 ZINC000569926794 899027751 /nfs/dbraw/zinc/02/77/51/899027751.db2.gz STKCXWHJTQQIIA-VXKWHMMOSA-N 2 2 394.563 3.694 20 0 GHADLP COCCn1cc2c(n1)[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)CCC2 ZINC000569926794 899027763 /nfs/dbraw/zinc/02/77/63/899027763.db2.gz STKCXWHJTQQIIA-VXKWHMMOSA-N 2 2 394.563 3.694 20 0 GHADLP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)[NH+](CC)CC ZINC001136752451 899141239 /nfs/dbraw/zinc/14/12/39/899141239.db2.gz RAQSIIIDHHYQAL-IEBWSBKVSA-N 2 2 383.939 3.680 20 0 GHADLP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)[NH+](CC)CC ZINC001136752451 899141251 /nfs/dbraw/zinc/14/12/51/899141251.db2.gz RAQSIIIDHHYQAL-IEBWSBKVSA-N 2 2 383.939 3.680 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000823887616 899306342 /nfs/dbraw/zinc/30/63/42/899306342.db2.gz LSWBRQBUTLSOPL-ROUUACIJSA-N 2 2 397.604 3.501 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CCCC1)c1ccccc1 ZINC001136797505 899321298 /nfs/dbraw/zinc/32/12/98/899321298.db2.gz MUMTYXAJVDTDKA-DYESRHJHSA-N 2 2 395.551 3.570 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CCCC1)c1ccccc1 ZINC001136797505 899321314 /nfs/dbraw/zinc/32/13/14/899321314.db2.gz MUMTYXAJVDTDKA-DYESRHJHSA-N 2 2 395.551 3.570 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000570666901 899490212 /nfs/dbraw/zinc/49/02/12/899490212.db2.gz LAJAHOYPGUAJCQ-FQEVSTJZSA-N 2 2 393.535 3.844 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000570666901 899490224 /nfs/dbraw/zinc/49/02/24/899490224.db2.gz LAJAHOYPGUAJCQ-FQEVSTJZSA-N 2 2 393.535 3.844 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3c[nH]c4cc(C)ccc34)CC2)CC1 ZINC001136970924 899923843 /nfs/dbraw/zinc/92/38/43/899923843.db2.gz ZDIWGDNSKIQSBN-UHFFFAOYSA-N 2 2 383.536 3.716 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000333184614 900017716 /nfs/dbraw/zinc/01/77/16/900017716.db2.gz SPXFFFVEJYMGFP-FUHWJXTLSA-N 2 2 391.585 3.515 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4cccnc4CC3)CC2)cc1 ZINC000572146696 900079208 /nfs/dbraw/zinc/07/92/08/900079208.db2.gz ZIGRNUHAVQUKSJ-QFIPXVFZSA-N 2 2 392.547 3.542 20 0 GHADLP O=C(NCc1[nH+]cn2ccccc12)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC001186321411 914434602 /nfs/dbraw/zinc/43/46/02/914434602.db2.gz YBSXOOAVQRFVJD-XMMPIXPASA-N 2 2 396.494 3.578 20 0 GHADLP O=C(NCc1[nH+]cn2ccccc12)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC001186321411 914434607 /nfs/dbraw/zinc/43/46/07/914434607.db2.gz YBSXOOAVQRFVJD-XMMPIXPASA-N 2 2 396.494 3.578 20 0 GHADLP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001144008517 900882326 /nfs/dbraw/zinc/88/23/26/900882326.db2.gz GOOGUFQGIMPLNI-MRXNPFEDSA-N 2 2 382.382 3.951 20 0 GHADLP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001144008517 900882338 /nfs/dbraw/zinc/88/23/38/900882338.db2.gz GOOGUFQGIMPLNI-MRXNPFEDSA-N 2 2 382.382 3.951 20 0 GHADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001143992861 900894476 /nfs/dbraw/zinc/89/44/76/900894476.db2.gz URHYHCCVRZHTTG-DLBZAZTESA-N 2 2 375.866 3.569 20 0 GHADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001143992861 900894485 /nfs/dbraw/zinc/89/44/85/900894485.db2.gz URHYHCCVRZHTTG-DLBZAZTESA-N 2 2 375.866 3.569 20 0 GHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886534360 901138466 /nfs/dbraw/zinc/13/84/66/901138466.db2.gz HDPLROWGXHBXMO-XWGVYQGASA-N 3 2 385.596 3.519 20 0 GHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886534360 901138473 /nfs/dbraw/zinc/13/84/73/901138473.db2.gz HDPLROWGXHBXMO-XWGVYQGASA-N 3 2 385.596 3.519 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000072810605 901209492 /nfs/dbraw/zinc/20/94/92/901209492.db2.gz ZYYBLPHCLXZJEV-CTNGQTDRSA-N 2 2 380.536 3.658 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000072810605 901209503 /nfs/dbraw/zinc/20/95/03/901209503.db2.gz ZYYBLPHCLXZJEV-CTNGQTDRSA-N 2 2 380.536 3.658 20 0 GHADLP COc1ccc(C[C@@](C)(O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000576152624 901732375 /nfs/dbraw/zinc/73/23/75/901732375.db2.gz QMQJCKMHSIJMRW-GAJHUEQPSA-N 2 2 395.503 3.534 20 0 GHADLP CSc1nc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)cc(N2CCCC2)[nH+]1 ZINC001171165032 901847915 /nfs/dbraw/zinc/84/79/15/901847915.db2.gz MLBYLUYZPJPHOT-OAHLLOKOSA-N 2 2 381.549 3.941 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333288178 901975470 /nfs/dbraw/zinc/97/54/70/901975470.db2.gz IVFZRARGSICDLK-RTBURBONSA-N 2 2 393.535 3.740 20 0 GHADLP C[C@@H](c1nnc(SCC[C@@H]2CCC[N@@H+]2C)n1-c1ccc(F)cc1)[NH+](C)C ZINC000124291493 902049095 /nfs/dbraw/zinc/04/90/95/902049095.db2.gz OJICVTXGKDUGDT-HOCLYGCPSA-N 2 2 377.533 3.605 20 0 GHADLP C[C@@H](c1nnc(SCC[C@@H]2CCC[N@H+]2C)n1-c1ccc(F)cc1)[NH+](C)C ZINC000124291493 902049104 /nfs/dbraw/zinc/04/91/04/902049104.db2.gz OJICVTXGKDUGDT-HOCLYGCPSA-N 2 2 377.533 3.605 20 0 GHADLP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000333491496 902131789 /nfs/dbraw/zinc/13/17/89/902131789.db2.gz UVKYTKZTDTWHMT-FPOVZHCZSA-N 2 2 393.535 3.977 20 0 GHADLP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000333491496 902131801 /nfs/dbraw/zinc/13/18/01/902131801.db2.gz UVKYTKZTDTWHMT-FPOVZHCZSA-N 2 2 393.535 3.977 20 0 GHADLP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000779015054 902864127 /nfs/dbraw/zinc/86/41/27/902864127.db2.gz MMLUWAJQAYLQNC-FFZOFVMBSA-N 2 2 388.556 3.692 20 0 GHADLP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000779015054 902864133 /nfs/dbraw/zinc/86/41/33/902864133.db2.gz MMLUWAJQAYLQNC-FFZOFVMBSA-N 2 2 388.556 3.692 20 0 GHADLP COc1ccc(-c2nc(C[N@H+](C)CCCn3cc[nH+]c3C)cs2)c(OC)c1 ZINC000130798934 903023834 /nfs/dbraw/zinc/02/38/34/903023834.db2.gz OSLPOJYCXIZVKH-UHFFFAOYSA-N 2 2 386.521 3.854 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+](C)CCCn3cc[nH+]c3C)cs2)c(OC)c1 ZINC000130798934 903023851 /nfs/dbraw/zinc/02/38/51/903023851.db2.gz OSLPOJYCXIZVKH-UHFFFAOYSA-N 2 2 386.521 3.854 20 0 GHADLP CC(C)Sc1ccccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000135348826 903664899 /nfs/dbraw/zinc/66/48/99/903664899.db2.gz VMXQOKPLSKHMFN-UHFFFAOYSA-N 2 2 378.586 3.677 20 0 GHADLP CC(C)Sc1ccccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000135348826 903664933 /nfs/dbraw/zinc/66/49/33/903664933.db2.gz VMXQOKPLSKHMFN-UHFFFAOYSA-N 2 2 378.586 3.677 20 0 GHADLP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000779067325 903778065 /nfs/dbraw/zinc/77/80/65/903778065.db2.gz VARPPPPXWLCYNP-KURKYZTESA-N 2 2 376.545 3.746 20 0 GHADLP COc1ccc(C(=O)CC[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000578632848 904019644 /nfs/dbraw/zinc/01/96/44/904019644.db2.gz QGFTVXLDBOJPRJ-FGZHOGPDSA-N 2 2 378.516 3.722 20 0 GHADLP COc1ccc(C(=O)CC[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000578632848 904019657 /nfs/dbraw/zinc/01/96/57/904019657.db2.gz QGFTVXLDBOJPRJ-FGZHOGPDSA-N 2 2 378.516 3.722 20 0 GHADLP COc1ccc(C(=O)CC[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000578632848 904019670 /nfs/dbraw/zinc/01/96/70/904019670.db2.gz QGFTVXLDBOJPRJ-FGZHOGPDSA-N 2 2 378.516 3.722 20 0 GHADLP COc1ccc(C(=O)CC[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000578632848 904019682 /nfs/dbraw/zinc/01/96/82/904019682.db2.gz QGFTVXLDBOJPRJ-FGZHOGPDSA-N 2 2 378.516 3.722 20 0 GHADLP CC[N@@H+](Cc1cc(=O)oc2cc(O)ccc12)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160010401 904515629 /nfs/dbraw/zinc/51/56/29/904515629.db2.gz MCXVSWSHPNSOOO-UHFFFAOYSA-N 2 2 393.487 3.632 20 0 GHADLP CC[N@H+](Cc1cc(=O)oc2cc(O)ccc12)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160010401 904515638 /nfs/dbraw/zinc/51/56/38/904515638.db2.gz MCXVSWSHPNSOOO-UHFFFAOYSA-N 2 2 393.487 3.632 20 0 GHADLP COc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000579557005 904700309 /nfs/dbraw/zinc/70/03/09/904700309.db2.gz IKGGPEXHQZMNNW-HSZRJFAPSA-N 2 2 393.531 3.895 20 0 GHADLP C[NH+]1C(C)(C)CC([N@@H+]2CCc3onc(COc4ccccn4)c3C2)CC1(C)C ZINC001171636046 904923696 /nfs/dbraw/zinc/92/36/96/904923696.db2.gz DKWCNXAPAMDWTK-UHFFFAOYSA-N 2 2 384.524 3.658 20 0 GHADLP C[NH+]1C(C)(C)CC([N@H+]2CCc3onc(COc4ccccn4)c3C2)CC1(C)C ZINC001171636046 904923708 /nfs/dbraw/zinc/92/37/08/904923708.db2.gz DKWCNXAPAMDWTK-UHFFFAOYSA-N 2 2 384.524 3.658 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171907783 905139142 /nfs/dbraw/zinc/13/91/42/905139142.db2.gz ZMLQGWLRLIXPNJ-LEWJYISDSA-N 2 2 379.504 3.538 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171907783 905139146 /nfs/dbraw/zinc/13/91/46/905139146.db2.gz ZMLQGWLRLIXPNJ-LEWJYISDSA-N 2 2 379.504 3.538 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@@H]2CCCN(C(=O)c3ccccc3)CC2)[nH+]c1 ZINC001171907782 905139396 /nfs/dbraw/zinc/13/93/96/905139396.db2.gz ZMEGQWLWBXNJNV-OAQYLSRUSA-N 2 2 392.547 3.643 20 0 GHADLP CCOC(=O)C1(C)CCC([N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001171953906 905161149 /nfs/dbraw/zinc/16/11/49/905161149.db2.gz XHWSREVXVVFFIH-LWLAFGSWSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)C1(C)CCC([N@H+]2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001171953906 905161150 /nfs/dbraw/zinc/16/11/50/905161150.db2.gz XHWSREVXVVFFIH-LWLAFGSWSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)C1(C)CCC([NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)CC1 ZINC001171953906 905161153 /nfs/dbraw/zinc/16/11/53/905161153.db2.gz XHWSREVXVVFFIH-LWLAFGSWSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)C1(C)CCC([NH+]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001171953906 905161156 /nfs/dbraw/zinc/16/11/56/905161156.db2.gz XHWSREVXVVFFIH-LWLAFGSWSA-N 2 2 391.581 3.551 20 0 GHADLP CC1(C)C[C@@H]([NH+]2CCC(NC(=O)C(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171988280 905251175 /nfs/dbraw/zinc/25/11/75/905251175.db2.gz QSJVYBRSAFKFFF-SFHVURJKSA-N 2 2 397.485 3.573 20 0 GHADLP CC1(C)C[C@@H]([NH+]2CCC(NC(=O)C(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171988280 905251189 /nfs/dbraw/zinc/25/11/89/905251189.db2.gz QSJVYBRSAFKFFF-SFHVURJKSA-N 2 2 397.485 3.573 20 0 GHADLP CC1(C)C[C@@H](N2CCC(C)([NH+]3CCOCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171988020 905251647 /nfs/dbraw/zinc/25/16/47/905251647.db2.gz NVLWCEAZPLZQIW-QFIPXVFZSA-N 2 2 385.596 3.616 20 0 GHADLP CC1(C)C[C@@H](N2CCC(C)([NH+]3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171988020 905251650 /nfs/dbraw/zinc/25/16/50/905251650.db2.gz NVLWCEAZPLZQIW-QFIPXVFZSA-N 2 2 385.596 3.616 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nnc2ccccn21 ZINC001172064543 905328130 /nfs/dbraw/zinc/32/81/30/905328130.db2.gz HAVVRTMDXRYIGI-WLRLJWMZSA-N 2 2 375.520 3.966 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nnc2ccccn21 ZINC001172064543 905328143 /nfs/dbraw/zinc/32/81/43/905328143.db2.gz HAVVRTMDXRYIGI-WLRLJWMZSA-N 2 2 375.520 3.966 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nnc2ccccn21 ZINC001172064544 905328292 /nfs/dbraw/zinc/32/82/92/905328292.db2.gz HAVVRTMDXRYIGI-ZIBCJSCZSA-N 2 2 375.520 3.966 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nnc2ccccn21 ZINC001172064544 905328334 /nfs/dbraw/zinc/32/83/34/905328334.db2.gz HAVVRTMDXRYIGI-ZIBCJSCZSA-N 2 2 375.520 3.966 20 0 GHADLP COC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccnc1 ZINC001172066927 905334337 /nfs/dbraw/zinc/33/43/37/905334337.db2.gz BVZDYIPFOZRMTK-BXXSPATCSA-N 2 2 393.531 3.861 20 0 GHADLP COC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccnc1 ZINC001172066927 905334349 /nfs/dbraw/zinc/33/43/49/905334349.db2.gz BVZDYIPFOZRMTK-BXXSPATCSA-N 2 2 393.531 3.861 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccnc1 ZINC001172066929 905335615 /nfs/dbraw/zinc/33/56/15/905335615.db2.gz BVZDYIPFOZRMTK-GPJHCHHRSA-N 2 2 393.531 3.861 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccnc1 ZINC001172066929 905335630 /nfs/dbraw/zinc/33/56/30/905335630.db2.gz BVZDYIPFOZRMTK-GPJHCHHRSA-N 2 2 393.531 3.861 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(C(=O)OC(C)(C)C)C3=CCCC[C@H]31)C2 ZINC001172132020 905344903 /nfs/dbraw/zinc/34/49/03/905344903.db2.gz JDJFYZZDGCKFOM-FCGDIQPGSA-N 2 2 375.557 3.991 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(C(=O)OC(C)(C)C)C3=CCCC[C@H]31)C2 ZINC001172132020 905344919 /nfs/dbraw/zinc/34/49/19/905344919.db2.gz JDJFYZZDGCKFOM-FCGDIQPGSA-N 2 2 375.557 3.991 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCN(C(=O)OC(C)(C)C)C3=CCCC[C@H]31)C2 ZINC001172132020 905344929 /nfs/dbraw/zinc/34/49/29/905344929.db2.gz JDJFYZZDGCKFOM-FCGDIQPGSA-N 2 2 375.557 3.991 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCN(C(=O)OC(C)(C)C)C3=CCCC[C@H]31)C2 ZINC001172132020 905344942 /nfs/dbraw/zinc/34/49/42/905344942.db2.gz JDJFYZZDGCKFOM-FCGDIQPGSA-N 2 2 375.557 3.991 20 0 GHADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C(=O)OC)(c2ccc(Cl)cc2)CC1 ZINC001172209061 905407716 /nfs/dbraw/zinc/40/77/16/905407716.db2.gz XVIGUDKGRSONSU-SCCNAQOGSA-N 2 2 378.944 3.767 20 0 GHADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C(=O)OC)(c2ccc(Cl)cc2)CC1 ZINC001172209061 905407721 /nfs/dbraw/zinc/40/77/21/905407721.db2.gz XVIGUDKGRSONSU-SCCNAQOGSA-N 2 2 378.944 3.767 20 0 GHADLP COCCC[NH+]1CCC([N@H+]([C@H](C)c2ccccc2)[C@@H]2CN3CCC2CC3)CC1 ZINC001172254804 905450857 /nfs/dbraw/zinc/45/08/57/905450857.db2.gz XXQYTTJJIBDRCV-HYBUGGRVSA-N 2 2 385.596 3.645 20 0 GHADLP COCCC[NH+]1CCC([N@@H+]([C@H](C)c2ccccc2)[C@@H]2CN3CCC2CC3)CC1 ZINC001172254804 905450862 /nfs/dbraw/zinc/45/08/62/905450862.db2.gz XXQYTTJJIBDRCV-HYBUGGRVSA-N 2 2 385.596 3.645 20 0 GHADLP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001172593254 905657335 /nfs/dbraw/zinc/65/73/35/905657335.db2.gz ULBSQCMXVQQASC-APWZRJJASA-N 2 2 398.469 3.991 20 0 GHADLP COC(=O)[C@H]1CCC[C@@H]([NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)C1 ZINC001172615956 905673722 /nfs/dbraw/zinc/67/37/22/905673722.db2.gz JUOANFPSMVHVJT-HNAYVOBHSA-N 2 2 379.460 3.725 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3Cc4ccc(Cl)cc4C3)CC2)C1 ZINC001172715508 905762699 /nfs/dbraw/zinc/76/26/99/905762699.db2.gz WCOLBNMKECLURG-DYESRHJHSA-N 2 2 390.955 3.547 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3Cc4ccc(Cl)cc4C3)CC2)C1 ZINC001172715508 905762706 /nfs/dbraw/zinc/76/27/06/905762706.db2.gz WCOLBNMKECLURG-DYESRHJHSA-N 2 2 390.955 3.547 20 0 GHADLP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@@H+]1C1CCC2(CCCC2)CC1 ZINC001172729105 905778063 /nfs/dbraw/zinc/77/80/63/905778063.db2.gz PSARDFQHPWESPP-LJQANCHMSA-N 2 2 385.600 3.510 20 0 GHADLP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@H+]1C1CCC2(CCCC2)CC1 ZINC001172729105 905778070 /nfs/dbraw/zinc/77/80/70/905778070.db2.gz PSARDFQHPWESPP-LJQANCHMSA-N 2 2 385.600 3.510 20 0 GHADLP Clc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CC1)C[N@H+](Cc1ccoc1)CCO3)C2 ZINC001172714088 905795203 /nfs/dbraw/zinc/79/52/03/905795203.db2.gz NMRAGYFZYAKMMH-NRFANRHFSA-N 2 2 386.923 3.767 20 0 GHADLP Clc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccoc1)CCO3)C2 ZINC001172714088 905795213 /nfs/dbraw/zinc/79/52/13/905795213.db2.gz NMRAGYFZYAKMMH-NRFANRHFSA-N 2 2 386.923 3.767 20 0 GHADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001172960327 906068800 /nfs/dbraw/zinc/06/88/00/906068800.db2.gz VFMQBUWVHOOGIU-MRXNPFEDSA-N 2 2 379.520 3.721 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)[nH+]c1 ZINC001173071996 906163699 /nfs/dbraw/zinc/16/36/99/906163699.db2.gz ITTRPPVDYNDQBH-HKUYNNGSSA-N 2 2 388.556 3.736 20 0 GHADLP Cc1cc(N2CC[NH+]([C@H](C)Cc3ccc(OC(F)(F)F)cc3)CC2)nc(C)[nH+]1 ZINC001173082883 906183614 /nfs/dbraw/zinc/18/36/14/906183614.db2.gz LBIVGJIHWQLXCM-OAHLLOKOSA-N 2 2 394.441 3.745 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](C3CCC4(CCCCC4)CC3)C2)C1 ZINC001173116567 906205819 /nfs/dbraw/zinc/20/58/19/906205819.db2.gz RTQQNEZLJZGSNX-QHCPKHFHSA-N 2 2 378.601 3.940 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](C3CCC4(CCCCC4)CC3)C2)C1 ZINC001173116567 906205837 /nfs/dbraw/zinc/20/58/37/906205837.db2.gz RTQQNEZLJZGSNX-QHCPKHFHSA-N 2 2 378.601 3.940 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](C3CCC4(CCCCC4)CC3)C2)C1 ZINC001173116567 906205857 /nfs/dbraw/zinc/20/58/57/906205857.db2.gz RTQQNEZLJZGSNX-QHCPKHFHSA-N 2 2 378.601 3.940 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](C3CCC4(CCCCC4)CC3)C2)C1 ZINC001173116567 906205873 /nfs/dbraw/zinc/20/58/73/906205873.db2.gz RTQQNEZLJZGSNX-QHCPKHFHSA-N 2 2 378.601 3.940 20 0 GHADLP COc1cccc2c1C[C@H]([NH2+]C1CC[NH+](Cc3cccc(F)c3C)CC1)CO2 ZINC001173149436 906236856 /nfs/dbraw/zinc/23/68/56/906236856.db2.gz DDBORZQQVOPORQ-IBGZPJMESA-N 2 2 384.495 3.700 20 0 GHADLP COc1cccc2c1C[C@@H]([N@@H+]1CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)CO2 ZINC001173167271 906289950 /nfs/dbraw/zinc/28/99/50/906289950.db2.gz FGZLXYKWFYVPGC-PXDATVDWSA-N 2 2 392.543 3.987 20 0 GHADLP COc1cccc2c1C[C@@H]([N@H+]1CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)CO2 ZINC001173167271 906289967 /nfs/dbraw/zinc/28/99/67/906289967.db2.gz FGZLXYKWFYVPGC-PXDATVDWSA-N 2 2 392.543 3.987 20 0 GHADLP COc1cccc2c1C[C@@H]([NH+]1CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C1)CO2 ZINC001173167271 906289981 /nfs/dbraw/zinc/28/99/81/906289981.db2.gz FGZLXYKWFYVPGC-PXDATVDWSA-N 2 2 392.543 3.987 20 0 GHADLP COc1cccc2c1C[C@@H]([NH+]1CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C1)CO2 ZINC001173167271 906289996 /nfs/dbraw/zinc/28/99/96/906289996.db2.gz FGZLXYKWFYVPGC-PXDATVDWSA-N 2 2 392.543 3.987 20 0 GHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173412956 906440547 /nfs/dbraw/zinc/44/05/47/906440547.db2.gz DATTXYFHJQXYMG-KRWDZBQOSA-N 2 2 377.960 3.655 20 0 GHADLP Cc1ccc(NCc2cccc3[nH+]ccn32)cc1NC(=O)C[NH+]1CCCCC1 ZINC000179430031 906500404 /nfs/dbraw/zinc/50/04/04/906500404.db2.gz QEFMGNGMMRMEGK-UHFFFAOYSA-N 2 2 377.492 3.679 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)C1 ZINC001173652533 906638014 /nfs/dbraw/zinc/63/80/14/906638014.db2.gz REQOMFYOADMYOA-UWJYYQICSA-N 2 2 376.516 3.810 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[NH2+]C2CC[NH+](Cc3cccc(OC)c3)CC2)cc1 ZINC001173720801 906670860 /nfs/dbraw/zinc/67/08/60/906670860.db2.gz NSLWJKKAMIIEEY-SFHVURJKSA-N 2 2 396.531 3.667 20 0 GHADLP O=C(c1ccc(F)c(Cl)c1)N1CCC(n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CC1 ZINC001173784512 906708203 /nfs/dbraw/zinc/70/82/03/906708203.db2.gz GPNXFBMXRPPETH-HNNXBMFYSA-N 2 2 390.890 3.620 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629652754 906929462 /nfs/dbraw/zinc/92/94/62/906929462.db2.gz BRRGSYZUWBFCHU-IEBWSBKVSA-N 2 2 380.458 3.507 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629652754 906929471 /nfs/dbraw/zinc/92/94/71/906929471.db2.gz BRRGSYZUWBFCHU-IEBWSBKVSA-N 2 2 380.458 3.507 20 0 GHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629654931 906933281 /nfs/dbraw/zinc/93/32/81/906933281.db2.gz JUVLKEBXHJFFHG-RDTXWAMCSA-N 2 2 384.421 3.587 20 0 GHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629654931 906933294 /nfs/dbraw/zinc/93/32/94/906933294.db2.gz JUVLKEBXHJFFHG-RDTXWAMCSA-N 2 2 384.421 3.587 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181589194 907032742 /nfs/dbraw/zinc/03/27/42/907032742.db2.gz NRVLPBMURDPHCC-PMACEKPBSA-N 3 2 396.579 3.898 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000192154315 907483266 /nfs/dbraw/zinc/48/32/66/907483266.db2.gz QZKJQVZGHGLLFL-KRWDZBQOSA-N 2 2 376.460 3.988 20 0 GHADLP C[NH+]1CCC(N(Cc2ccccc2)C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000631633748 907783021 /nfs/dbraw/zinc/78/30/21/907783021.db2.gz YJWVVUNLPBTVLB-UHFFFAOYSA-N 2 2 388.515 3.538 20 0 GHADLP C[C@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185742906 907829695 /nfs/dbraw/zinc/82/96/95/907829695.db2.gz SGFKUVRSCCEEGT-MAUKXSAKSA-N 2 2 398.576 3.652 20 0 GHADLP C[C@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185742906 907829709 /nfs/dbraw/zinc/82/97/09/907829709.db2.gz SGFKUVRSCCEEGT-MAUKXSAKSA-N 2 2 398.576 3.652 20 0 GHADLP Cc1[nH+]cc(Nc2ccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1C ZINC001176041317 907899055 /nfs/dbraw/zinc/89/90/55/907899055.db2.gz MKLXXFSJJBZNPX-UHFFFAOYSA-N 2 2 385.512 3.525 20 0 GHADLP Cc1cc(Nc2ccc(N3CCC(NC(=O)OC(C)(C)C)CC3)[nH+]c2)cc(C)[nH+]1 ZINC001176054524 907919027 /nfs/dbraw/zinc/91/90/27/907919027.db2.gz YHZDPWBKGFXIDB-UHFFFAOYSA-N 2 2 397.523 3.752 20 0 GHADLP COc1cc(C[NH+](C)C)ccc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000633376944 908296773 /nfs/dbraw/zinc/29/67/73/908296773.db2.gz FHOFGKHPBXSFEB-SFHVURJKSA-N 2 2 378.476 3.641 20 0 GHADLP C[NH+]1CCC(c2ccc(NC(=O)[C@H]3CCCN(c4cccc[nH+]4)C3)cc2)CC1 ZINC001176963823 908330535 /nfs/dbraw/zinc/33/05/35/908330535.db2.gz AVHKYRKEJCMKID-FQEVSTJZSA-N 2 2 378.520 3.746 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000191515495 908636005 /nfs/dbraw/zinc/63/60/05/908636005.db2.gz MWGQMWVBVNQXDU-UHFFFAOYSA-N 2 2 393.413 3.825 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000191515495 908636008 /nfs/dbraw/zinc/63/60/08/908636008.db2.gz MWGQMWVBVNQXDU-UHFFFAOYSA-N 2 2 393.413 3.825 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000635356012 909221344 /nfs/dbraw/zinc/22/13/44/909221344.db2.gz MTPIAVFPLFASJG-KRWDZBQOSA-N 2 2 382.430 3.535 20 0 GHADLP CC(C)C[C@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)n1cc[nH+]c1 ZINC000635443233 909251440 /nfs/dbraw/zinc/25/14/40/909251440.db2.gz FUSHGUNUFGNROG-JOCHJYFZSA-N 2 2 380.536 3.520 20 0 GHADLP CC(C)C[C@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)n1cc[nH+]c1 ZINC000635443233 909251455 /nfs/dbraw/zinc/25/14/55/909251455.db2.gz FUSHGUNUFGNROG-JOCHJYFZSA-N 2 2 380.536 3.520 20 0 GHADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000635483409 909267788 /nfs/dbraw/zinc/26/77/88/909267788.db2.gz DDCXCSCKAYVJFX-ZWKOTPCHSA-N 2 2 394.441 3.720 20 0 GHADLP COc1cc(Br)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000266730444 909277936 /nfs/dbraw/zinc/27/79/36/909277936.db2.gz JKPOFSOXSOTCSD-UHFFFAOYSA-N 2 2 380.286 3.569 20 0 GHADLP FC(F)(F)c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000267466815 909513602 /nfs/dbraw/zinc/51/36/02/909513602.db2.gz WQHAPDUOHKXQIA-CYBMUJFWSA-N 2 2 377.370 3.858 20 0 GHADLP FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000267466815 909513607 /nfs/dbraw/zinc/51/36/07/909513607.db2.gz WQHAPDUOHKXQIA-CYBMUJFWSA-N 2 2 377.370 3.858 20 0 GHADLP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000267749572 909620194 /nfs/dbraw/zinc/62/01/94/909620194.db2.gz BVVXVQXNQMGEMH-UHFFFAOYSA-N 2 2 396.457 3.668 20 0 GHADLP CO[C@H](C)c1nc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cs1 ZINC000268329455 909835168 /nfs/dbraw/zinc/83/51/68/909835168.db2.gz IGBIPOHBUWWMHD-MRXNPFEDSA-N 2 2 388.581 3.671 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(OCC[NH+](C)C)c1 ZINC000268762762 910004286 /nfs/dbraw/zinc/00/42/86/910004286.db2.gz MIOBZGKYBIQKCU-IBGZPJMESA-N 3 2 378.520 3.723 20 0 GHADLP CN(C(=O)Nc1ccc(Cl)nc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246044557 910058180 /nfs/dbraw/zinc/05/81/80/910058180.db2.gz APRFAGRLCJWGPH-QZTJIDSGSA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1ccc(Cl)nc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246044557 910058187 /nfs/dbraw/zinc/05/81/87/910058187.db2.gz APRFAGRLCJWGPH-QZTJIDSGSA-N 2 2 393.963 3.536 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001274451101 910066587 /nfs/dbraw/zinc/06/65/87/910066587.db2.gz KWRVRONQFWINGQ-TZIWHRDSSA-N 2 2 377.960 3.667 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001274451101 910066598 /nfs/dbraw/zinc/06/65/98/910066598.db2.gz KWRVRONQFWINGQ-TZIWHRDSSA-N 2 2 377.960 3.667 20 0 GHADLP C[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268917528 910069264 /nfs/dbraw/zinc/06/92/64/910069264.db2.gz VFWYPGSULKDWBO-KRWDZBQOSA-N 2 2 378.476 3.676 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(Cl)cc(Cl)c3N)CC2)CC1 ZINC000638152012 910069632 /nfs/dbraw/zinc/06/96/32/910069632.db2.gz HXAVPPVVKXUNQF-UHFFFAOYSA-N 2 2 385.383 3.566 20 0 GHADLP COc1cc(C[C@H](C)[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)ccn1 ZINC000638640236 910207587 /nfs/dbraw/zinc/20/75/87/910207587.db2.gz QJEULOKTVKFUJC-OALUTQOASA-N 2 2 383.536 3.511 20 0 GHADLP CCN(c1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1)C(C)C ZINC000246533686 910359122 /nfs/dbraw/zinc/35/91/22/910359122.db2.gz JYHZRLOHSTWXFX-WIYYLYMNSA-N 2 2 383.540 3.639 20 0 GHADLP CCN(c1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1)C(C)C ZINC000246533686 910359131 /nfs/dbraw/zinc/35/91/31/910359131.db2.gz JYHZRLOHSTWXFX-WIYYLYMNSA-N 2 2 383.540 3.639 20 0 GHADLP COc1cccc(C)c1C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000639231787 910360064 /nfs/dbraw/zinc/36/00/64/910360064.db2.gz SBJJKFLXPHJSKC-UHFFFAOYSA-N 2 2 381.520 3.716 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)[C@@H](C)C1 ZINC000639590039 910537443 /nfs/dbraw/zinc/53/74/43/910537443.db2.gz SKWLDVMTYVUCOF-WNRNVDISSA-N 2 2 392.506 3.651 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)[C@@H](C)C1 ZINC000639590039 910537447 /nfs/dbraw/zinc/53/74/47/910537447.db2.gz SKWLDVMTYVUCOF-WNRNVDISSA-N 2 2 392.506 3.651 20 0 GHADLP Fc1ccc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)cc1C[NH+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639776767 910658493 /nfs/dbraw/zinc/65/84/93/910658493.db2.gz FRNJAKCMDPBNNG-FCHUYYIVSA-N 2 2 394.498 3.946 20 0 GHADLP Fc1ccc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)cc1C[NH+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639776767 910658498 /nfs/dbraw/zinc/65/84/98/910658498.db2.gz FRNJAKCMDPBNNG-FCHUYYIVSA-N 2 2 394.498 3.946 20 0 GHADLP Fc1ccc(C[NH+]2CCC[C@H]2c2cn[nH]c2)cc1C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639776767 910658508 /nfs/dbraw/zinc/65/85/08/910658508.db2.gz FRNJAKCMDPBNNG-FCHUYYIVSA-N 2 2 394.498 3.946 20 0 GHADLP Fc1ccc(C[NH+]2CCC[C@H]2c2cn[nH]c2)cc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639776767 910658515 /nfs/dbraw/zinc/65/85/15/910658515.db2.gz FRNJAKCMDPBNNG-FCHUYYIVSA-N 2 2 394.498 3.946 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3csc(-c4ccsc4)n3)CC2)CC1 ZINC000270857079 910719612 /nfs/dbraw/zinc/71/96/12/910719612.db2.gz HPPSOSQGXKRQKC-UHFFFAOYSA-N 2 2 390.622 3.862 20 0 GHADLP CO[C@](C)(C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CC1 ZINC001181506613 910807405 /nfs/dbraw/zinc/80/74/05/910807405.db2.gz SUHPPPDXCKGWOT-QGZVFWFLSA-N 2 2 382.302 3.556 20 0 GHADLP CO[C@](C)(C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CC1 ZINC001181506613 910807424 /nfs/dbraw/zinc/80/74/24/910807424.db2.gz SUHPPPDXCKGWOT-QGZVFWFLSA-N 2 2 382.302 3.556 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1Cl ZINC001182224055 911318322 /nfs/dbraw/zinc/31/83/22/911318322.db2.gz WXDJITSBVSNYAF-UHYCVJNDSA-N 2 2 379.976 3.960 20 0 GHADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@H](O)c1ccccc1Cl)CC2 ZINC000283174335 911398945 /nfs/dbraw/zinc/39/89/45/911398945.db2.gz POJWCOMABYNGKX-ZWKOTPCHSA-N 2 2 391.968 3.816 20 0 GHADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@H](O)c1ccccc1Cl)CC2 ZINC000283174335 911398963 /nfs/dbraw/zinc/39/89/63/911398963.db2.gz POJWCOMABYNGKX-ZWKOTPCHSA-N 2 2 391.968 3.816 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)N1Cc2ccccc2C1 ZINC000647207684 915082306 /nfs/dbraw/zinc/08/23/06/915082306.db2.gz GUKWERMBZQHJOR-CVDCTZTESA-N 2 2 389.543 3.704 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)N1Cc2ccccc2C1 ZINC000647207684 915082326 /nfs/dbraw/zinc/08/23/26/915082326.db2.gz GUKWERMBZQHJOR-CVDCTZTESA-N 2 2 389.543 3.704 20 0 GHADLP c1cn([C@@H]2CCc3ccccc3[C@@H]2[NH2+]Cc2cnnn2Cc2ccccc2)c[nH+]1 ZINC000292790050 915846321 /nfs/dbraw/zinc/84/63/21/915846321.db2.gz MFOMEWXBQOAIOF-PKTZIBPZSA-N 2 2 384.487 3.541 20 0 GHADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000292794899 915849602 /nfs/dbraw/zinc/84/96/02/915849602.db2.gz VCFQUFLXNBVXTF-UHFFFAOYSA-N 2 2 398.532 3.841 20 0 GHADLP CSC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000543777753 915867382 /nfs/dbraw/zinc/86/73/82/915867382.db2.gz YMEAVUDIRXJFGS-QGZVFWFLSA-N 2 2 376.488 3.546 20 0 GHADLP CCCc1ccc(CCCC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000648933928 915945590 /nfs/dbraw/zinc/94/55/90/915945590.db2.gz ZNFQUWPEPDDAFC-UHFFFAOYSA-N 2 2 399.623 3.980 20 0 GHADLP CCCc1ccc(CCCC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000648933928 915945604 /nfs/dbraw/zinc/94/56/04/915945604.db2.gz ZNFQUWPEPDDAFC-UHFFFAOYSA-N 2 2 399.623 3.980 20 0 GHADLP O=C(c1ccc(Cl)cc1)N1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000156259918 916044272 /nfs/dbraw/zinc/04/42/72/916044272.db2.gz DTPXEJFXNSDGHN-UHFFFAOYSA-N 2 2 398.938 3.598 20 0 GHADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]([NH3+])c3cccc(Cl)c3)c2)C[C@@H](C)O1 ZINC000649337813 916106106 /nfs/dbraw/zinc/10/61/06/916106106.db2.gz RAGYRWFPAWZTAV-SXGZJXTBSA-N 2 2 387.911 3.588 20 0 GHADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc(N2CCCC2)n1 ZINC000293688484 916331299 /nfs/dbraw/zinc/33/12/99/916331299.db2.gz NONOHFDBJIEYAS-PZJWPPBQSA-N 2 2 379.552 3.528 20 0 GHADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc(N2CCCC2)n1 ZINC000293688484 916331319 /nfs/dbraw/zinc/33/13/19/916331319.db2.gz NONOHFDBJIEYAS-PZJWPPBQSA-N 2 2 379.552 3.528 20 0 GHADLP CN(C(=O)c1ccc2ccncc2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000649917667 916523167 /nfs/dbraw/zinc/52/31/67/916523167.db2.gz XCARZFQFBBJTDY-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccc2ccncc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000649917667 916523176 /nfs/dbraw/zinc/52/31/76/916523176.db2.gz XCARZFQFBBJTDY-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP O=C(NCCNc1cccc[nH+]1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650418076 916971327 /nfs/dbraw/zinc/97/13/27/916971327.db2.gz RJNMVDKAMVYVKX-UHFFFAOYSA-N 2 2 385.537 3.503 20 0 GHADLP Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cs1 ZINC000652354631 917879306 /nfs/dbraw/zinc/87/93/06/917879306.db2.gz DAIYFOSSQXBQOK-QFBILLFUSA-N 2 2 386.565 3.582 20 0 GHADLP Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cs1 ZINC000652354631 917879311 /nfs/dbraw/zinc/87/93/11/917879311.db2.gz DAIYFOSSQXBQOK-QFBILLFUSA-N 2 2 386.565 3.582 20 0 GHADLP CC(C)CO[C@H]1CC[N@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001192175047 918523524 /nfs/dbraw/zinc/52/35/24/918523524.db2.gz WMTHNBVXCYXPQE-NRFANRHFSA-N 2 2 379.976 3.599 20 0 GHADLP CC(C)CO[C@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001192175047 918523544 /nfs/dbraw/zinc/52/35/44/918523544.db2.gz WMTHNBVXCYXPQE-NRFANRHFSA-N 2 2 379.976 3.599 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001192251488 918538378 /nfs/dbraw/zinc/53/83/78/918538378.db2.gz BGBXAHZCFRTHLR-FCHUYYIVSA-N 2 2 393.575 3.614 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001192251488 918538390 /nfs/dbraw/zinc/53/83/90/918538390.db2.gz BGBXAHZCFRTHLR-FCHUYYIVSA-N 2 2 393.575 3.614 20 0 GHADLP C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000298551217 920655733 /nfs/dbraw/zinc/65/57/33/920655733.db2.gz UTBFFDIYMWQCFX-KRWDZBQOSA-N 2 2 380.467 3.526 20 0 GHADLP CCC[N@H+](Cn1cc(-c2ccncn2)cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000902641111 922366339 /nfs/dbraw/zinc/36/63/39/922366339.db2.gz WZVSGYGBZLMAQK-UHFFFAOYSA-N 2 2 390.535 3.674 20 0 GHADLP CCC[N@@H+](Cn1cc(-c2ccncn2)cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000902641111 922366361 /nfs/dbraw/zinc/36/63/61/922366361.db2.gz WZVSGYGBZLMAQK-UHFFFAOYSA-N 2 2 390.535 3.674 20 0 GHADLP O=C(Nc1cccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1)c1ccccc1Cl ZINC000368091591 922469563 /nfs/dbraw/zinc/46/95/63/922469563.db2.gz WZVBEDPJRXZXCC-HNNXBMFYSA-N 2 2 380.879 3.963 20 0 GHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(-n2ccnc2)c1 ZINC000902915981 922598887 /nfs/dbraw/zinc/59/88/87/922598887.db2.gz CGOFOIOLZVAQCD-SFHVURJKSA-N 2 2 390.535 3.971 20 0 GHADLP COc1ccc(Cl)c2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000903099007 922770835 /nfs/dbraw/zinc/77/08/35/922770835.db2.gz XDFDJCTYNYHQNB-HNAYVOBHSA-N 2 2 378.944 3.817 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000369443021 923343345 /nfs/dbraw/zinc/34/33/45/923343345.db2.gz MQQRYZVWNYIMOC-LJQANCHMSA-N 2 2 388.943 3.595 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000369443021 923343352 /nfs/dbraw/zinc/34/33/52/923343352.db2.gz MQQRYZVWNYIMOC-LJQANCHMSA-N 2 2 388.943 3.595 20 0 GHADLP COc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1OCc1c(C)noc1C ZINC000369537395 923406268 /nfs/dbraw/zinc/40/62/68/923406268.db2.gz QILYSVNRRPUQAF-UHFFFAOYSA-N 2 2 399.535 3.986 20 0 GHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(SC(F)F)cc2)CC1 ZINC000748989441 923961871 /nfs/dbraw/zinc/96/18/71/923961871.db2.gz KUOWZLMMTQVSPC-IRXDYDNUSA-N 2 2 383.552 3.992 20 0 GHADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000748993413 923977855 /nfs/dbraw/zinc/97/78/55/923977855.db2.gz CTQIINLSZREAAE-RTWAWAEBSA-N 2 2 376.903 3.957 20 0 GHADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000748993413 923977864 /nfs/dbraw/zinc/97/78/64/923977864.db2.gz CTQIINLSZREAAE-RTWAWAEBSA-N 2 2 376.903 3.957 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H](CC3CCCC3)c3ccccc3)C2)CC1 ZINC000676925531 924154186 /nfs/dbraw/zinc/15/41/86/924154186.db2.gz YVYXDPICMAJQKK-FYYLOGMGSA-N 2 2 398.595 3.776 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H](CC3CCCC3)c3ccccc3)C2)CC1 ZINC000676925531 924154192 /nfs/dbraw/zinc/15/41/92/924154192.db2.gz YVYXDPICMAJQKK-FYYLOGMGSA-N 2 2 398.595 3.776 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(-c4c(F)cccc4F)c3)C2)CC1 ZINC000677425922 924357223 /nfs/dbraw/zinc/35/72/23/924357223.db2.gz RXEPAFAPVIGCNJ-SFHVURJKSA-N 2 2 399.485 3.530 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(-c4c(F)cccc4F)c3)C2)CC1 ZINC000677425922 924357227 /nfs/dbraw/zinc/35/72/27/924357227.db2.gz RXEPAFAPVIGCNJ-SFHVURJKSA-N 2 2 399.485 3.530 20 0 GHADLP CCCc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000409468032 924670856 /nfs/dbraw/zinc/67/08/56/924670856.db2.gz DHJKDVNTODJCJY-UHFFFAOYSA-N 2 2 377.960 3.581 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000678240031 924683550 /nfs/dbraw/zinc/68/35/50/924683550.db2.gz CTUGDLITHQGMAJ-UHFFFAOYSA-N 3 2 381.564 3.723 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000678240031 924683554 /nfs/dbraw/zinc/68/35/54/924683554.db2.gz CTUGDLITHQGMAJ-UHFFFAOYSA-N 3 2 381.564 3.723 20 0 GHADLP O[C@@H]([C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000678992132 924992741 /nfs/dbraw/zinc/99/27/41/924992741.db2.gz CANDQKRJRUFGQC-RTWAWAEBSA-N 2 2 392.465 3.775 20 0 GHADLP C[C@](CO)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(C(F)(F)F)c1 ZINC000680121118 925371063 /nfs/dbraw/zinc/37/10/63/925371063.db2.gz RJDILLSGBCWSBU-QGZVFWFLSA-N 2 2 381.423 3.950 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000680258106 925410423 /nfs/dbraw/zinc/41/04/23/925410423.db2.gz KKAUJISWWDVDOC-QGZVFWFLSA-N 2 2 382.508 3.653 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000680258106 925410428 /nfs/dbraw/zinc/41/04/28/925410428.db2.gz KKAUJISWWDVDOC-QGZVFWFLSA-N 2 2 382.508 3.653 20 0 GHADLP CN(C(=O)N[C@@H]1CCC(C)(C)c2ccccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681214969 925763491 /nfs/dbraw/zinc/76/34/91/925763491.db2.gz LQJFAGJZEYSXLP-SIKLNZKXSA-N 2 2 398.595 3.609 20 0 GHADLP CN(C(=O)N[C@@H]1CCC(C)(C)c2ccccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681214969 925763496 /nfs/dbraw/zinc/76/34/96/925763496.db2.gz LQJFAGJZEYSXLP-SIKLNZKXSA-N 2 2 398.595 3.609 20 0 GHADLP CN(C(=O)N[C@H](CC1CCC1)c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218496 925764626 /nfs/dbraw/zinc/76/46/26/925764626.db2.gz FNCLNYZMGIUENZ-XZOQPEGZSA-N 2 2 398.595 3.728 20 0 GHADLP CN(C(=O)N[C@H](CC1CCC1)c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218496 925764633 /nfs/dbraw/zinc/76/46/33/925764633.db2.gz FNCLNYZMGIUENZ-XZOQPEGZSA-N 2 2 398.595 3.728 20 0 GHADLP COCCn1cc2c(n1)[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CCC2 ZINC000373209048 925934993 /nfs/dbraw/zinc/93/49/93/925934993.db2.gz VIPXUXZUWMFNNZ-BJESRGMDSA-N 2 2 394.563 3.692 20 0 GHADLP COCCn1cc2c(n1)[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CCC2 ZINC000373209048 925934998 /nfs/dbraw/zinc/93/49/98/925934998.db2.gz VIPXUXZUWMFNNZ-BJESRGMDSA-N 2 2 394.563 3.692 20 0 GHADLP CSc1ccc(OC[C@H](O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000411503157 926462184 /nfs/dbraw/zinc/46/21/84/926462184.db2.gz JVEHMIBXBKPRCY-LJQANCHMSA-N 2 2 389.565 3.537 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ncco3)cc2F)[C@@H](C)C1 ZINC000411549397 926512131 /nfs/dbraw/zinc/51/21/31/926512131.db2.gz GPBPKPCQVVMFFM-JXFKEZNVSA-N 2 2 375.488 3.707 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ncco3)cc2F)[C@@H](C)C1 ZINC000411549397 926512136 /nfs/dbraw/zinc/51/21/36/926512136.db2.gz GPBPKPCQVVMFFM-JXFKEZNVSA-N 2 2 375.488 3.707 20 0 GHADLP CN(Cc1ccc(F)cc1)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000411689933 926652631 /nfs/dbraw/zinc/65/26/31/926652631.db2.gz LDWJVQCDRSUFJZ-QFIPXVFZSA-N 2 2 397.538 3.674 20 0 GHADLP CN(Cc1ccc(F)cc1)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000411689933 926652636 /nfs/dbraw/zinc/65/26/36/926652636.db2.gz LDWJVQCDRSUFJZ-QFIPXVFZSA-N 2 2 397.538 3.674 20 0 GHADLP C[NH+](C)CCCCCCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374346166 927038339 /nfs/dbraw/zinc/03/83/39/927038339.db2.gz GNUQNYDNRXLBEJ-LJQANCHMSA-N 2 2 389.588 3.621 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccnc1Cl ZINC000374530462 927250837 /nfs/dbraw/zinc/25/08/37/927250837.db2.gz MHDJNDGCLWHUPN-SFHVURJKSA-N 2 2 386.927 3.564 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccnc1Cl ZINC000374530462 927250848 /nfs/dbraw/zinc/25/08/48/927250848.db2.gz MHDJNDGCLWHUPN-SFHVURJKSA-N 2 2 386.927 3.564 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCN(C(=O)c3ccccc3Cl)CC1)CCC2 ZINC000374577299 927303613 /nfs/dbraw/zinc/30/36/13/927303613.db2.gz RFCMKKMJJOFIAD-INIZCTEOSA-N 2 2 386.927 3.617 20 0 GHADLP CCn1nccc1CC[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000374767657 927497178 /nfs/dbraw/zinc/49/71/78/927497178.db2.gz OQZHMLPOGPTHLG-UHFFFAOYSA-N 2 2 384.572 3.658 20 0 GHADLP CCn1nccc1CC[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000374767657 927497185 /nfs/dbraw/zinc/49/71/85/927497185.db2.gz OQZHMLPOGPTHLG-UHFFFAOYSA-N 2 2 384.572 3.658 20 0 GHADLP Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(N(C)C)[nH+]1 ZINC000750386338 927595597 /nfs/dbraw/zinc/59/55/97/927595597.db2.gz DVHATRZXEQLNSR-IEBWSBKVSA-N 2 2 381.524 3.631 20 0 GHADLP Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(N(C)C)[nH+]1 ZINC000750386338 927595603 /nfs/dbraw/zinc/59/56/03/927595603.db2.gz DVHATRZXEQLNSR-IEBWSBKVSA-N 2 2 381.524 3.631 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C)[nH+]c1N(C)C)c1ccsc1 ZINC000750425171 927616756 /nfs/dbraw/zinc/61/67/56/927616756.db2.gz UDFHVQZBILKYFT-KRWDZBQOSA-N 2 2 375.542 3.722 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC2CCC([NH+]3CCCCC3)CC2)c1C ZINC000751111579 928034575 /nfs/dbraw/zinc/03/45/75/928034575.db2.gz PZQOBDRSXBRVRQ-UHFFFAOYSA-N 2 2 388.556 3.646 20 0 GHADLP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000467174992 928789337 /nfs/dbraw/zinc/78/93/37/928789337.db2.gz WVNPHQOUQCJIQZ-HNNXBMFYSA-N 2 2 399.938 3.629 20 0 GHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000467314183 928948239 /nfs/dbraw/zinc/94/82/39/928948239.db2.gz TWKMEZIOUSBGJZ-IERDGZPVSA-N 2 2 392.465 3.645 20 0 GHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000467314183 928948246 /nfs/dbraw/zinc/94/82/46/928948246.db2.gz TWKMEZIOUSBGJZ-IERDGZPVSA-N 2 2 392.465 3.645 20 0 GHADLP CCOc1cc(C[N@H+](C)CCC[NH+]2CCCC2)cc(Br)c1OC ZINC000467521538 929153573 /nfs/dbraw/zinc/15/35/73/929153573.db2.gz ZZCJJMWRNBHYDS-UHFFFAOYSA-N 2 2 385.346 3.774 20 0 GHADLP CCOc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)cc(Br)c1OC ZINC000467521538 929153580 /nfs/dbraw/zinc/15/35/80/929153580.db2.gz ZZCJJMWRNBHYDS-UHFFFAOYSA-N 2 2 385.346 3.774 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)C1 ZINC000467737821 929356747 /nfs/dbraw/zinc/35/67/47/929356747.db2.gz OHNIKZJNZPVELJ-BVYCBKJFSA-N 2 2 394.003 3.669 20 0 GHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)C1 ZINC000467737821 929356754 /nfs/dbraw/zinc/35/67/54/929356754.db2.gz OHNIKZJNZPVELJ-BVYCBKJFSA-N 2 2 394.003 3.669 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@H](CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[NH+](C)CCO2)C1 ZINC000467737821 929356768 /nfs/dbraw/zinc/35/67/68/929356768.db2.gz OHNIKZJNZPVELJ-BVYCBKJFSA-N 2 2 394.003 3.669 20 0 GHADLP CC(C)C[N@H+]1CCC[C@H](CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[NH+](C)CCO2)C1 ZINC000467737821 929356781 /nfs/dbraw/zinc/35/67/81/929356781.db2.gz OHNIKZJNZPVELJ-BVYCBKJFSA-N 2 2 394.003 3.669 20 0 GHADLP CC(C)C[NH+]1CCC[C@H](CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000467737821 929356788 /nfs/dbraw/zinc/35/67/88/929356788.db2.gz OHNIKZJNZPVELJ-BVYCBKJFSA-N 2 2 394.003 3.669 20 0 GHADLP CC(C)C[NH+]1CCC[C@H](CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000467737821 929356799 /nfs/dbraw/zinc/35/67/99/929356799.db2.gz OHNIKZJNZPVELJ-BVYCBKJFSA-N 2 2 394.003 3.669 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1nc(C(F)(F)F)cs1 ZINC000467749959 929369566 /nfs/dbraw/zinc/36/95/66/929369566.db2.gz UBTCPASJXHAWMO-DGCLKSJQSA-N 2 2 385.459 3.870 20 0 GHADLP COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000753533842 929394813 /nfs/dbraw/zinc/39/48/13/929394813.db2.gz CMOUCIJZHJGUGE-LJQANCHMSA-N 2 2 382.489 3.546 20 0 GHADLP COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000753533842 929394826 /nfs/dbraw/zinc/39/48/26/929394826.db2.gz CMOUCIJZHJGUGE-LJQANCHMSA-N 2 2 382.489 3.546 20 0 GHADLP C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000469763484 930145556 /nfs/dbraw/zinc/14/55/56/930145556.db2.gz JXKRXJRAXZXTEU-KKSFZXQISA-N 2 2 378.451 3.858 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000470362527 930562016 /nfs/dbraw/zinc/56/20/16/930562016.db2.gz DRHRQFMMSOYSOP-WOJBJXKFSA-N 2 2 387.886 3.648 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000470362527 930562023 /nfs/dbraw/zinc/56/20/23/930562023.db2.gz DRHRQFMMSOYSOP-WOJBJXKFSA-N 2 2 387.886 3.648 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@]3(O)CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000783308161 931516634 /nfs/dbraw/zinc/51/66/34/931516634.db2.gz BMGOQJWZQMKDHM-UZLBHIALSA-N 2 2 399.501 3.795 20 0 GHADLP c1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2C[NH2+]CC4(CCOCC4)C2)CCC3)cc1 ZINC000925794628 931905577 /nfs/dbraw/zinc/90/55/77/931905577.db2.gz HPNLNQZXEPLWFQ-QZTJIDSGSA-N 2 2 383.561 3.936 20 0 GHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccnn1CC1CCC1 ZINC000925907207 931951577 /nfs/dbraw/zinc/95/15/77/931951577.db2.gz YFYZGIPZUOSWLG-QGZVFWFLSA-N 2 2 382.556 3.782 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cn1 ZINC000558737419 932201984 /nfs/dbraw/zinc/20/19/84/932201984.db2.gz BJQBYJKGHDDOTD-GOSISDBHSA-N 2 2 386.927 3.564 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cn1 ZINC000558737419 932201998 /nfs/dbraw/zinc/20/19/98/932201998.db2.gz BJQBYJKGHDDOTD-GOSISDBHSA-N 2 2 386.927 3.564 20 0 GHADLP C[C@@H](C1CC1)N(C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000558738634 932202786 /nfs/dbraw/zinc/20/27/86/932202786.db2.gz USIDCSAHPCUVPO-AVRDEDQJSA-N 2 2 383.580 3.666 20 0 GHADLP C[C@@H](C1CC1)N(C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000558738634 932202796 /nfs/dbraw/zinc/20/27/96/932202796.db2.gz USIDCSAHPCUVPO-AVRDEDQJSA-N 2 2 383.580 3.666 20 0 GHADLP C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1=O ZINC000559323775 932600578 /nfs/dbraw/zinc/60/05/78/932600578.db2.gz OHXOJSKLHFCMCR-MGPUTAFESA-N 2 2 398.507 3.915 20 0 GHADLP CCc1cnc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000559330029 932604705 /nfs/dbraw/zinc/60/47/05/932604705.db2.gz IGKYJOHEIBXSRS-LJQANCHMSA-N 2 2 385.577 3.724 20 0 GHADLP CCc1cnc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000559330029 932604708 /nfs/dbraw/zinc/60/47/08/932604708.db2.gz IGKYJOHEIBXSRS-LJQANCHMSA-N 2 2 385.577 3.724 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CCCC2(CC[NH+](C)CC2)C1 ZINC000798405644 932634212 /nfs/dbraw/zinc/63/42/12/932634212.db2.gz UELISCXSOLKESH-UHFFFAOYSA-N 2 2 397.519 3.732 20 0 GHADLP Cc1cc(C)c(NC(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)[nH+]1 ZINC000560429729 933255477 /nfs/dbraw/zinc/25/54/77/933255477.db2.gz BIKHHLGZNJTECL-HDICACEKSA-N 2 2 388.556 3.750 20 0 GHADLP Cc1oc(C(C)C)nc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000560598255 933372677 /nfs/dbraw/zinc/37/26/77/933372677.db2.gz SMMHIBCNUABTIS-RBUKOAKNSA-N 2 2 390.572 3.516 20 0 GHADLP Cc1oc(C(C)C)nc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000560598255 933372687 /nfs/dbraw/zinc/37/26/87/933372687.db2.gz SMMHIBCNUABTIS-RBUKOAKNSA-N 2 2 390.572 3.516 20 0 GHADLP CCC[N@H+](Cc1nc(C(C)C)ns1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000929982902 933745631 /nfs/dbraw/zinc/74/56/31/933745631.db2.gz RJNJOWXNMVOJOK-UHFFFAOYSA-N 2 2 388.585 3.949 20 0 GHADLP CCC[N@@H+](Cc1nc(C(C)C)ns1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000929982902 933745640 /nfs/dbraw/zinc/74/56/40/933745640.db2.gz RJNJOWXNMVOJOK-UHFFFAOYSA-N 2 2 388.585 3.949 20 0 GHADLP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118490630 934180331 /nfs/dbraw/zinc/18/03/31/934180331.db2.gz FFVKCCQHZYBOPC-KBXCAEBGSA-N 2 2 399.760 3.933 20 0 GHADLP Clc1cncc(Cl)c1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001137607128 935621882 /nfs/dbraw/zinc/62/18/82/935621882.db2.gz YIDTXQJIUHYJHZ-UHFFFAOYSA-N 2 2 394.350 3.629 20 0 GHADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001137611057 935626060 /nfs/dbraw/zinc/62/60/60/935626060.db2.gz NQAZZXYKVNGYIV-TXTKFYIRSA-N 2 2 397.538 3.578 20 0 GHADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001137611057 935626061 /nfs/dbraw/zinc/62/60/61/935626061.db2.gz NQAZZXYKVNGYIV-TXTKFYIRSA-N 2 2 397.538 3.578 20 0 GHADLP Fc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)ccc1Cl ZINC001137651842 935672285 /nfs/dbraw/zinc/67/22/85/935672285.db2.gz FFGRCUMPLLYPMG-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)ccc1Cl ZINC001137651842 935672288 /nfs/dbraw/zinc/67/22/88/935672288.db2.gz FFGRCUMPLLYPMG-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)ccc1Cl ZINC001137651842 935672292 /nfs/dbraw/zinc/67/22/92/935672292.db2.gz FFGRCUMPLLYPMG-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)ccc1Cl ZINC001137651842 935672294 /nfs/dbraw/zinc/67/22/94/935672294.db2.gz FFGRCUMPLLYPMG-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C2CC[NH+](CC(C)C)CC2)c(C)c1 ZINC001137730751 935754094 /nfs/dbraw/zinc/75/40/94/935754094.db2.gz UADILUGHKOUYIW-JOCHJYFZSA-N 2 2 382.552 3.725 20 0 GHADLP COC(=O)c1ccccc1C[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001137784301 935787685 /nfs/dbraw/zinc/78/76/85/935787685.db2.gz HIPPMCVOIVADHS-UHFFFAOYSA-N 2 2 375.472 3.652 20 0 GHADLP C[NH+](C)Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2)cc1Br ZINC000468200946 1015400807 /nfs/dbraw/zinc/40/08/07/1015400807.db2.gz JHSKORGBTWBXET-UHFFFAOYSA-N 2 2 390.325 3.581 20 0 GHADLP C[NH+](C)Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2)cc1Br ZINC000468200946 1015400817 /nfs/dbraw/zinc/40/08/17/1015400817.db2.gz JHSKORGBTWBXET-UHFFFAOYSA-N 2 2 390.325 3.581 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000468383935 1015651471 /nfs/dbraw/zinc/65/14/71/1015651471.db2.gz KZBFETKGAAWEET-UEXGIBASSA-N 2 2 397.588 3.837 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000468383935 1015651473 /nfs/dbraw/zinc/65/14/73/1015651473.db2.gz KZBFETKGAAWEET-UEXGIBASSA-N 2 2 397.588 3.837 20 0 GHADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000468383935 1015651481 /nfs/dbraw/zinc/65/14/81/1015651481.db2.gz KZBFETKGAAWEET-UEXGIBASSA-N 2 2 397.588 3.837 20 0 GHADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000468383935 1015651482 /nfs/dbraw/zinc/65/14/82/1015651482.db2.gz KZBFETKGAAWEET-UEXGIBASSA-N 2 2 397.588 3.837 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC2(c3ccc(F)cc3)CCC(F)(F)CC2)cc1 ZINC001221217005 1032337916 /nfs/dbraw/zinc/33/79/16/1032337916.db2.gz SAIDQIZETWITNG-SFHVURJKSA-N 2 2 391.437 3.619 20 0 GHADLP C[NH+](C)CCOc1cc(C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)ccn1 ZINC000925652920 1017127546 /nfs/dbraw/zinc/12/75/46/1017127546.db2.gz IPTGSQSKXMMPQK-QFIPXVFZSA-N 2 2 396.922 3.950 20 0 GHADLP COc1cc2c(cc1O[C@@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)C=[NH+]CC2 ZINC001228092928 1032775271 /nfs/dbraw/zinc/77/52/71/1032775271.db2.gz VFHVPAISLIIDDS-ILWGZMRPSA-N 2 2 376.500 3.960 20 0 GHADLP COc1cc2c(cc1O[C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C=[NH+]CC2 ZINC001228092928 1032775288 /nfs/dbraw/zinc/77/52/88/1032775288.db2.gz VFHVPAISLIIDDS-ILWGZMRPSA-N 2 2 376.500 3.960 20 0 GHADLP O[C@H]1CC2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)Oc2ccccc21 ZINC000933074585 1018835167 /nfs/dbraw/zinc/83/51/67/1018835167.db2.gz NQUSWYIHHDGVBF-NRFANRHFSA-N 2 2 375.472 3.723 20 0 GHADLP COc1ccccc1/C=C/C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000567428655 1019293649 /nfs/dbraw/zinc/29/36/49/1019293649.db2.gz LSMWVCHZTHIAKS-QQRRWSATSA-N 2 2 391.559 3.601 20 0 GHADLP COc1ccccc1/C=C/C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000567428655 1019293657 /nfs/dbraw/zinc/29/36/57/1019293657.db2.gz LSMWVCHZTHIAKS-QQRRWSATSA-N 2 2 391.559 3.601 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567852117 1019346955 /nfs/dbraw/zinc/34/69/55/1019346955.db2.gz QSYIUQXDVQQSMK-HXUWFJFHSA-N 2 2 396.531 3.999 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567852117 1019346974 /nfs/dbraw/zinc/34/69/74/1019346974.db2.gz QSYIUQXDVQQSMK-HXUWFJFHSA-N 2 2 396.531 3.999 20 0 GHADLP c1cn(-c2ccc(C[N@H+]3C[C@H]4CCC[C@@]4(c4nc(CC5CC5)no4)C3)cc2)c[nH+]1 ZINC000570502347 1019625147 /nfs/dbraw/zinc/62/51/47/1019625147.db2.gz SXVYHTZXDVMZOH-AUSIDOKSSA-N 2 2 389.503 3.762 20 0 GHADLP c1cn(-c2ccc(C[N@@H+]3C[C@H]4CCC[C@@]4(c4nc(CC5CC5)no4)C3)cc2)c[nH+]1 ZINC000570502347 1019625156 /nfs/dbraw/zinc/62/51/56/1019625156.db2.gz SXVYHTZXDVMZOH-AUSIDOKSSA-N 2 2 389.503 3.762 20 0 GHADLP COc1ccccc1[C@@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000576417052 1020009815 /nfs/dbraw/zinc/00/98/15/1020009815.db2.gz NZTCJUWIZNLPLB-FGZHOGPDSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccccc1[C@@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000576417052 1020009827 /nfs/dbraw/zinc/00/98/27/1020009827.db2.gz NZTCJUWIZNLPLB-FGZHOGPDSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccccc1[C@@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000576417052 1020009837 /nfs/dbraw/zinc/00/98/37/1020009837.db2.gz NZTCJUWIZNLPLB-FGZHOGPDSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccccc1[C@@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000576417052 1020009844 /nfs/dbraw/zinc/00/98/44/1020009844.db2.gz NZTCJUWIZNLPLB-FGZHOGPDSA-N 2 2 380.532 3.776 20 0 GHADLP CC(C)c1[nH+]c(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c2ccccn21 ZINC000576949491 1020093196 /nfs/dbraw/zinc/09/31/96/1020093196.db2.gz GWNUQNULVDGCTC-GOSISDBHSA-N 3 2 378.524 3.605 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc5ccccc5n4)CC3)C2)co1 ZINC001204499402 1032931511 /nfs/dbraw/zinc/93/15/11/1032931511.db2.gz HAHMXGDIUIWBDI-UHFFFAOYSA-N 2 2 377.488 3.695 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5ccccc5n4)CC3)C2)co1 ZINC001204499402 1032931517 /nfs/dbraw/zinc/93/15/17/1032931517.db2.gz HAHMXGDIUIWBDI-UHFFFAOYSA-N 2 2 377.488 3.695 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4ccccc4n3)CC[C@@H]21 ZINC001204501257 1032933127 /nfs/dbraw/zinc/93/31/27/1032933127.db2.gz BYFRUKXEOXROBL-SFLYRZDNSA-N 2 2 389.547 3.805 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4ccccc4n3)CC[C@@H]21 ZINC001204501257 1032933130 /nfs/dbraw/zinc/93/31/30/1032933130.db2.gz BYFRUKXEOXROBL-SFLYRZDNSA-N 2 2 389.547 3.805 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccc4ccccc4n3)CC[C@@H]21 ZINC001204501257 1032933132 /nfs/dbraw/zinc/93/31/32/1032933132.db2.gz BYFRUKXEOXROBL-SFLYRZDNSA-N 2 2 389.547 3.805 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccc4ccccc4n3)CC[C@@H]21 ZINC001204501257 1032933137 /nfs/dbraw/zinc/93/31/37/1032933137.db2.gz BYFRUKXEOXROBL-SFLYRZDNSA-N 2 2 389.547 3.805 20 0 GHADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000647814402 1021150456 /nfs/dbraw/zinc/15/04/56/1021150456.db2.gz MKGKTDOCDQCYNP-UHFFFAOYSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000647814402 1021150457 /nfs/dbraw/zinc/15/04/57/1021150457.db2.gz MKGKTDOCDQCYNP-UHFFFAOYSA-N 2 2 387.543 3.703 20 0 GHADLP CN(C(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000647815011 1021150969 /nfs/dbraw/zinc/15/09/69/1021150969.db2.gz LBKAMFLSVHJBGS-XMMPIXPASA-N 2 2 395.522 3.590 20 0 GHADLP CN(C(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000647815011 1021150971 /nfs/dbraw/zinc/15/09/71/1021150971.db2.gz LBKAMFLSVHJBGS-XMMPIXPASA-N 2 2 395.522 3.590 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4cc(N5CCCCC5)[nH+]cn4)[C@@H]3C2)cc1 ZINC001156319090 1032983934 /nfs/dbraw/zinc/98/39/34/1032983934.db2.gz VBCYBFWWWHFCIP-HBMCJLEFSA-N 2 2 377.536 3.789 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4cc(N5CCCCC5)[nH+]cn4)[C@@H]3C2)cc1 ZINC001156319090 1032983937 /nfs/dbraw/zinc/98/39/37/1032983937.db2.gz VBCYBFWWWHFCIP-HBMCJLEFSA-N 2 2 377.536 3.789 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4cc(N5CCCCC5)nc[nH+]4)[C@@H]3C2)cc1 ZINC001156319090 1032983941 /nfs/dbraw/zinc/98/39/41/1032983941.db2.gz VBCYBFWWWHFCIP-HBMCJLEFSA-N 2 2 377.536 3.789 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4cc(N5CCCCC5)nc[nH+]4)[C@@H]3C2)cc1 ZINC001156319090 1032983949 /nfs/dbraw/zinc/98/39/49/1032983949.db2.gz VBCYBFWWWHFCIP-HBMCJLEFSA-N 2 2 377.536 3.789 20 0 GHADLP C[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)c1ccc(N2CCNC2=O)cc1 ZINC000834883012 1021609228 /nfs/dbraw/zinc/60/92/28/1021609228.db2.gz XHJAZKIHVWRAKZ-IBGZPJMESA-N 2 2 392.547 3.922 20 0 GHADLP C[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)c1ccc(N2CCNC2=O)cc1 ZINC000834883012 1021609249 /nfs/dbraw/zinc/60/92/49/1021609249.db2.gz XHJAZKIHVWRAKZ-IBGZPJMESA-N 2 2 392.547 3.922 20 0 GHADLP c1csc(-c2ccccc2C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)n1 ZINC001140450250 1021737000 /nfs/dbraw/zinc/73/70/00/1021737000.db2.gz MQXQGICEOTVLAV-BGYRXZFFSA-N 2 2 376.529 3.769 20 0 GHADLP c1csc(-c2ccccc2C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)n1 ZINC001140450250 1021737013 /nfs/dbraw/zinc/73/70/13/1021737013.db2.gz MQXQGICEOTVLAV-BGYRXZFFSA-N 2 2 376.529 3.769 20 0 GHADLP c1csc(-c2ccccc2C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)n1 ZINC001140450250 1021737021 /nfs/dbraw/zinc/73/70/21/1021737021.db2.gz MQXQGICEOTVLAV-BGYRXZFFSA-N 2 2 376.529 3.769 20 0 GHADLP c1csc(-c2ccccc2C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)n1 ZINC001140450250 1021737030 /nfs/dbraw/zinc/73/70/30/1021737030.db2.gz MQXQGICEOTVLAV-BGYRXZFFSA-N 2 2 376.529 3.769 20 0 GHADLP CC(C)C(NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000677280744 1021812082 /nfs/dbraw/zinc/81/20/82/1021812082.db2.gz APECQMAYJFSSEO-UXHICEINSA-N 2 2 380.621 3.646 20 0 GHADLP CC(C)C(NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000677280744 1021812102 /nfs/dbraw/zinc/81/21/02/1021812102.db2.gz APECQMAYJFSSEO-UXHICEINSA-N 2 2 380.621 3.646 20 0 GHADLP CN(C(=O)Cc1cc2ccccc2o1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677289836 1021813420 /nfs/dbraw/zinc/81/34/20/1021813420.db2.gz FHGDMFLYDPFRGK-VXKWHMMOSA-N 2 2 397.563 3.771 20 0 GHADLP CN(C(=O)Cc1cc2ccccc2o1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677289836 1021813429 /nfs/dbraw/zinc/81/34/29/1021813429.db2.gz FHGDMFLYDPFRGK-VXKWHMMOSA-N 2 2 397.563 3.771 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3cnc4cc(Cl)c(Cl)cc4n3)C2)CC1 ZINC000679846338 1022053692 /nfs/dbraw/zinc/05/36/92/1022053692.db2.gz XNBKCTRZNIYAGO-GFCCVEGCSA-N 2 2 380.323 3.517 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3cnc4cc(Cl)c(Cl)cc4n3)C2)CC1 ZINC000679846338 1022053707 /nfs/dbraw/zinc/05/37/07/1022053707.db2.gz XNBKCTRZNIYAGO-GFCCVEGCSA-N 2 2 380.323 3.517 20 0 GHADLP Oc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)ccc1OC(F)F ZINC001140626118 1022104832 /nfs/dbraw/zinc/10/48/32/1022104832.db2.gz QVISWXKBFGVTOH-HUUCEWRRSA-N 2 2 380.460 3.619 20 0 GHADLP CC(C)c1ccc2c(c1)[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000681802306 1022329069 /nfs/dbraw/zinc/32/90/69/1022329069.db2.gz JHWZLBPGETVGIV-FYYLOGMGSA-N 2 2 398.595 3.607 20 0 GHADLP CC(C)c1ccc2c(c1)[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000681802306 1022329084 /nfs/dbraw/zinc/32/90/84/1022329084.db2.gz JHWZLBPGETVGIV-FYYLOGMGSA-N 2 2 398.595 3.607 20 0 GHADLP Cc1[nH+]ccn1Cc1ccc(Nc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC001204747408 1033062196 /nfs/dbraw/zinc/06/21/96/1033062196.db2.gz VEGTULWINYAVAW-UHFFFAOYSA-N 2 2 375.520 3.731 20 0 GHADLP Cc1[nH+]ccn1Cc1ccc(Nc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC001204747408 1033062212 /nfs/dbraw/zinc/06/22/12/1033062212.db2.gz VEGTULWINYAVAW-UHFFFAOYSA-N 2 2 375.520 3.731 20 0 GHADLP CC1CCC(=CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000755205454 1023125539 /nfs/dbraw/zinc/12/55/39/1023125539.db2.gz JAWDSVNCMSKMLB-IPKCRJEZSA-N 2 2 375.601 3.919 20 0 GHADLP CC1CCC(=CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000755205454 1023125550 /nfs/dbraw/zinc/12/55/50/1023125550.db2.gz JAWDSVNCMSKMLB-IPKCRJEZSA-N 2 2 375.601 3.919 20 0 GHADLP CN(C(=O)/C=C\c1ccccc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755216028 1023132573 /nfs/dbraw/zinc/13/25/73/1023132573.db2.gz ZFXSHTQMUKCHPD-RDAUXASASA-N 2 2 387.543 3.635 20 0 GHADLP CN(C(=O)/C=C\c1ccccc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755216028 1023132586 /nfs/dbraw/zinc/13/25/86/1023132586.db2.gz ZFXSHTQMUKCHPD-RDAUXASASA-N 2 2 387.543 3.635 20 0 GHADLP C/C(=C\c1ccccc1Cl)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000755929881 1023441016 /nfs/dbraw/zinc/44/10/16/1023441016.db2.gz YXAXAHXHVVMLFH-FBMGVBCBSA-N 2 2 389.971 3.810 20 0 GHADLP c1csc(-c2ccccc2C[N@@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)c1 ZINC001141094543 1023475576 /nfs/dbraw/zinc/47/55/76/1023475576.db2.gz OXIXASKDFLDKPV-UHFFFAOYSA-N 2 2 390.516 3.657 20 0 GHADLP c1csc(-c2ccccc2C[N@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)c1 ZINC001141094543 1023475580 /nfs/dbraw/zinc/47/55/80/1023475580.db2.gz OXIXASKDFLDKPV-UHFFFAOYSA-N 2 2 390.516 3.657 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(C(F)(F)F)c(F)c4)C[C@H]3C2)cn1 ZINC001204880147 1033142745 /nfs/dbraw/zinc/14/27/45/1033142745.db2.gz YSSYJOFTQQJYJB-IAGOWNOFSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(C(F)(F)F)c(F)c4)C[C@H]3C2)cn1 ZINC001204880147 1033142754 /nfs/dbraw/zinc/14/27/54/1033142754.db2.gz YSSYJOFTQQJYJB-IAGOWNOFSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(C(F)(F)F)c(F)c4)C[C@H]3C2)cn1 ZINC001204880147 1033142762 /nfs/dbraw/zinc/14/27/62/1033142762.db2.gz YSSYJOFTQQJYJB-IAGOWNOFSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(C(F)(F)F)c(F)c4)C[C@H]3C2)cn1 ZINC001204880147 1033142768 /nfs/dbraw/zinc/14/27/68/1033142768.db2.gz YSSYJOFTQQJYJB-IAGOWNOFSA-N 2 2 396.432 3.532 20 0 GHADLP CN(C(=O)NC[C@H]1CCCC1(C)C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001228897202 1033166072 /nfs/dbraw/zinc/16/60/72/1033166072.db2.gz WOYXCCSHTRHCAB-HMXCVIKNSA-N 2 2 392.632 3.791 20 0 GHADLP CN(C(=O)NC[C@H]1CCCC1(C)C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001228897202 1033166076 /nfs/dbraw/zinc/16/60/76/1033166076.db2.gz WOYXCCSHTRHCAB-HMXCVIKNSA-N 2 2 392.632 3.791 20 0 GHADLP CC[NH+](CC)[C@H](C[NH2+]C1CCN(C(=O)OCC(C)C)CC1)c1ccccc1 ZINC000756883460 1023845624 /nfs/dbraw/zinc/84/56/24/1023845624.db2.gz PUKCPGZQTZCITM-OAQYLSRUSA-N 2 2 375.557 3.916 20 0 GHADLP CC1(C)CCc2cc(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)ccc2O1 ZINC001141183113 1024030244 /nfs/dbraw/zinc/03/02/44/1024030244.db2.gz RGWOJPXBWNFRIN-OYRHEFFESA-N 2 2 377.532 3.749 20 0 GHADLP CC1(C)CCc2cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)ccc2O1 ZINC001141183113 1024030260 /nfs/dbraw/zinc/03/02/60/1024030260.db2.gz RGWOJPXBWNFRIN-OYRHEFFESA-N 2 2 377.532 3.749 20 0 GHADLP CC1(C)CCc2cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)ccc2O1 ZINC001141183113 1024030274 /nfs/dbraw/zinc/03/02/74/1024030274.db2.gz RGWOJPXBWNFRIN-OYRHEFFESA-N 2 2 377.532 3.749 20 0 GHADLP CC1(C)CCc2cc(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)ccc2O1 ZINC001141183113 1024030301 /nfs/dbraw/zinc/03/03/01/1024030301.db2.gz RGWOJPXBWNFRIN-OYRHEFFESA-N 2 2 377.532 3.749 20 0 GHADLP COc1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1F ZINC001141220906 1024176735 /nfs/dbraw/zinc/17/67/35/1024176735.db2.gz OZWZVEJPKWPFDG-UHFFFAOYSA-N 2 2 390.524 3.763 20 0 GHADLP COc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1F ZINC001141220906 1024176741 /nfs/dbraw/zinc/17/67/41/1024176741.db2.gz OZWZVEJPKWPFDG-UHFFFAOYSA-N 2 2 390.524 3.763 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831509423 1024606864 /nfs/dbraw/zinc/60/68/64/1024606864.db2.gz DGJUPBKJJVSMHB-MOPGFXCFSA-N 2 2 375.875 3.503 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831509423 1024606874 /nfs/dbraw/zinc/60/68/74/1024606874.db2.gz DGJUPBKJJVSMHB-MOPGFXCFSA-N 2 2 375.875 3.503 20 0 GHADLP Cc1c(C[NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)[nH]c2ccc(F)cc12 ZINC001138412144 1024798504 /nfs/dbraw/zinc/79/85/04/1024798504.db2.gz PLIPFVGTFAPWES-UHFFFAOYSA-N 2 2 394.494 3.882 20 0 GHADLP COc1ccc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)c2c(OC)cccc12 ZINC001138755695 1025307914 /nfs/dbraw/zinc/30/79/14/1025307914.db2.gz YCNVBRKLHQAOIE-UHFFFAOYSA-N 2 2 398.547 3.932 20 0 GHADLP C[N@H+](Cc1ccc(I)o1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001138903800 1025553211 /nfs/dbraw/zinc/55/32/11/1025553211.db2.gz QPEYEUMAKLWUEZ-UHFFFAOYSA-N 2 2 393.228 3.702 20 0 GHADLP C[N@@H+](Cc1ccc(I)o1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001138903800 1025553221 /nfs/dbraw/zinc/55/32/21/1025553221.db2.gz QPEYEUMAKLWUEZ-UHFFFAOYSA-N 2 2 393.228 3.702 20 0 GHADLP COc1ccc(Cl)cc1C[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC001461014733 1069335725 /nfs/dbraw/zinc/33/57/25/1069335725.db2.gz VUOSFYMFMNKOGH-UHFFFAOYSA-N 2 2 387.955 3.959 20 0 GHADLP FC(F)(F)c1c[nH+]ccc1NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001162195613 1025662083 /nfs/dbraw/zinc/66/20/83/1025662083.db2.gz JSNAAZQTPPVQQF-UHFFFAOYSA-N 2 2 392.469 3.532 20 0 GHADLP COc1ccc(-c2ccccc2)cc1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001139070761 1025872175 /nfs/dbraw/zinc/87/21/75/1025872175.db2.gz PYVCQACLXMLXCR-UHFFFAOYSA-N 2 2 379.504 3.992 20 0 GHADLP COC(=O)c1ccc(-c2ccc(NCC[C@H]3CC[NH2+]CC3(F)F)[nH+]c2C)cc1 ZINC001162813482 1025926617 /nfs/dbraw/zinc/92/66/17/1025926617.db2.gz VNDWETJQXUZKGD-QGZVFWFLSA-N 2 2 389.446 3.890 20 0 GHADLP CCn1ccc2ccc(C[NH+]3CCC([N@@H+]4CCC[C@H](C(=O)OC)C4)CC3)cc21 ZINC001139119750 1025931307 /nfs/dbraw/zinc/93/13/07/1025931307.db2.gz BUEQROLZQIFQPM-FQEVSTJZSA-N 2 2 383.536 3.511 20 0 GHADLP CCn1ccc2ccc(C[NH+]3CCC([N@H+]4CCC[C@H](C(=O)OC)C4)CC3)cc21 ZINC001139119750 1025931309 /nfs/dbraw/zinc/93/13/09/1025931309.db2.gz BUEQROLZQIFQPM-FQEVSTJZSA-N 2 2 383.536 3.511 20 0 GHADLP CCn1ccc2ccc(C[NH+]3CCC([N@@H+]4CCC[C@@H](C(=O)OC)C4)CC3)cc21 ZINC001139119751 1025931592 /nfs/dbraw/zinc/93/15/92/1025931592.db2.gz BUEQROLZQIFQPM-HXUWFJFHSA-N 2 2 383.536 3.511 20 0 GHADLP CCn1ccc2ccc(C[NH+]3CCC([N@H+]4CCC[C@@H](C(=O)OC)C4)CC3)cc21 ZINC001139119751 1025931597 /nfs/dbraw/zinc/93/15/97/1025931597.db2.gz BUEQROLZQIFQPM-HXUWFJFHSA-N 2 2 383.536 3.511 20 0 GHADLP COC(=O)c1ccc(-c2ccc(Nc3ccc([C@H](C[NH3+])CO)cc3)[nH+]c2C)cc1 ZINC001163054036 1026026398 /nfs/dbraw/zinc/02/63/98/1026026398.db2.gz VYBPMDNWUMBUDB-LJQANCHMSA-N 2 2 391.471 3.622 20 0 GHADLP COc1cccc([C@@H]2CCCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)s2)c1 ZINC001139324874 1026184313 /nfs/dbraw/zinc/18/43/13/1026184313.db2.gz SDZQQICYRPEJFL-FQEVSTJZSA-N 2 2 386.565 3.631 20 0 GHADLP COc1cccc([C@@H]2CCCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)s2)c1 ZINC001139324874 1026184319 /nfs/dbraw/zinc/18/43/19/1026184319.db2.gz SDZQQICYRPEJFL-FQEVSTJZSA-N 2 2 386.565 3.631 20 0 GHADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(c4ccc(F)cc4F)CC3)s2)CC1 ZINC001139325858 1026184488 /nfs/dbraw/zinc/18/44/88/1026184488.db2.gz DCJJNHLGCOPMCQ-UHFFFAOYSA-N 2 2 392.519 3.553 20 0 GHADLP Brc1cscc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001139348385 1026217521 /nfs/dbraw/zinc/21/75/21/1026217521.db2.gz XACFKHYIPMONOA-CVEARBPZSA-N 2 2 392.366 3.860 20 0 GHADLP Brc1cscc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001139348385 1026217543 /nfs/dbraw/zinc/21/75/43/1026217543.db2.gz XACFKHYIPMONOA-CVEARBPZSA-N 2 2 392.366 3.860 20 0 GHADLP Brc1cscc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001139348385 1026217553 /nfs/dbraw/zinc/21/75/53/1026217553.db2.gz XACFKHYIPMONOA-CVEARBPZSA-N 2 2 392.366 3.860 20 0 GHADLP NC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(-c4ccccc4)s3)CC2)CC1 ZINC001139415673 1026287278 /nfs/dbraw/zinc/28/72/78/1026287278.db2.gz DPIQNLZCFZYBCD-UHFFFAOYSA-N 2 2 383.561 3.577 20 0 GHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(OC(F)F)cc3F)c2)CCO1 ZINC001461097227 1069388013 /nfs/dbraw/zinc/38/80/13/1069388013.db2.gz GLWSIIFFBNRHHV-HNNXBMFYSA-N 2 2 394.437 3.938 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(OC(F)F)cc3F)c2)CCO1 ZINC001461097227 1069388025 /nfs/dbraw/zinc/38/80/25/1069388025.db2.gz GLWSIIFFBNRHHV-HNNXBMFYSA-N 2 2 394.437 3.938 20 0 GHADLP C[NH+]1CCN(c2cccc(N3CCc4ccccc4[C@H]3c3ccccc3)[nH+]2)CC1 ZINC001165081008 1026591268 /nfs/dbraw/zinc/59/12/68/1026591268.db2.gz WYODOXXAALJMHZ-RUZDIDTESA-N 2 2 384.527 3.986 20 0 GHADLP Fc1cccc([C@@H]2CC[N@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)c1 ZINC001139762971 1026600906 /nfs/dbraw/zinc/60/09/06/1026600906.db2.gz DCEHGSQDPXQDLP-OAQYLSRUSA-N 2 2 384.495 3.526 20 0 GHADLP Fc1cccc([C@@H]2CC[N@@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)c1 ZINC001139762971 1026600913 /nfs/dbraw/zinc/60/09/13/1026600913.db2.gz DCEHGSQDPXQDLP-OAQYLSRUSA-N 2 2 384.495 3.526 20 0 GHADLP Fc1ccccc1[C@H]1CCC[N@@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763351 1026601223 /nfs/dbraw/zinc/60/12/23/1026601223.db2.gz KHIRNFOPNAKRHC-HSZRJFAPSA-N 2 2 384.495 3.874 20 0 GHADLP Fc1ccccc1[C@H]1CCC[N@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763351 1026601230 /nfs/dbraw/zinc/60/12/30/1026601230.db2.gz KHIRNFOPNAKRHC-HSZRJFAPSA-N 2 2 384.495 3.874 20 0 GHADLP CC[N@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)Cc1cccc(F)c1F ZINC001139768816 1026603989 /nfs/dbraw/zinc/60/39/89/1026603989.db2.gz OOYHIEUQXJLIFN-UHFFFAOYSA-N 2 2 390.474 3.698 20 0 GHADLP CC[N@@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)Cc1cccc(F)c1F ZINC001139768816 1026603994 /nfs/dbraw/zinc/60/39/94/1026603994.db2.gz OOYHIEUQXJLIFN-UHFFFAOYSA-N 2 2 390.474 3.698 20 0 GHADLP COC(=O)c1ccc(-c2ccc(N3CCC4(CCCC[NH2+]4)CC3)[nH+]c2C)cc1 ZINC001165248236 1026678626 /nfs/dbraw/zinc/67/86/26/1026678626.db2.gz GXPQFHMAFVMEDV-UHFFFAOYSA-N 2 2 379.504 3.956 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H](C)C1 ZINC001140021694 1026805601 /nfs/dbraw/zinc/80/56/01/1026805601.db2.gz OZZYYYBFTNNHNA-KRWDZBQOSA-N 2 2 384.524 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H](C)C1 ZINC001140021694 1026805611 /nfs/dbraw/zinc/80/56/11/1026805611.db2.gz OZZYYYBFTNNHNA-KRWDZBQOSA-N 2 2 384.524 3.870 20 0 GHADLP CCOC[C@@H]1C[N@H+](Cc2ccccc2-n2cc[nH+]c2C)Cc2c1cnn2CC ZINC001140024794 1026811388 /nfs/dbraw/zinc/81/13/88/1026811388.db2.gz JHYKIAZOVJZNNU-IBGZPJMESA-N 2 2 379.508 3.533 20 0 GHADLP CCOC[C@@H]1C[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)Cc2c1cnn2CC ZINC001140024794 1026811399 /nfs/dbraw/zinc/81/13/99/1026811399.db2.gz JHYKIAZOVJZNNU-IBGZPJMESA-N 2 2 379.508 3.533 20 0 GHADLP CCOC[C@@H]1C[N@H+](Cc2ccccc2-n2cc[nH+]c2C)Cc2cnn(CC)c21 ZINC001140025164 1026811947 /nfs/dbraw/zinc/81/19/47/1026811947.db2.gz MVEFTFZDHSLAAU-FQEVSTJZSA-N 2 2 379.508 3.533 20 0 GHADLP CCOC[C@@H]1C[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)Cc2cnn(CC)c21 ZINC001140025164 1026811956 /nfs/dbraw/zinc/81/19/56/1026811956.db2.gz MVEFTFZDHSLAAU-FQEVSTJZSA-N 2 2 379.508 3.533 20 0 GHADLP CCOC(=O)c1coc(C2CC[NH+](Cc3ccccc3-n3cc[nH+]c3C)CC2)n1 ZINC001140027523 1026816837 /nfs/dbraw/zinc/81/68/37/1026816837.db2.gz OLQXKLGFVTWIPD-UHFFFAOYSA-N 2 2 394.475 3.725 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@H](N2Cc3ccccc3C2=O)C1 ZINC001140027497 1026817592 /nfs/dbraw/zinc/81/75/92/1026817592.db2.gz NTLREUATTSDJES-OAQYLSRUSA-N 2 2 386.499 3.801 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@H](N2Cc3ccccc3C2=O)C1 ZINC001140027497 1026817604 /nfs/dbraw/zinc/81/76/04/1026817604.db2.gz NTLREUATTSDJES-OAQYLSRUSA-N 2 2 386.499 3.801 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(Cl)c1OC)C2 ZINC001140059570 1026838344 /nfs/dbraw/zinc/83/83/44/1026838344.db2.gz NPJAXCNCXNJAHQ-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(Cl)c1OC)C2 ZINC001140059570 1026838349 /nfs/dbraw/zinc/83/83/49/1026838349.db2.gz NPJAXCNCXNJAHQ-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(Cl)c1OC)C2 ZINC001140059570 1026838353 /nfs/dbraw/zinc/83/83/53/1026838353.db2.gz NPJAXCNCXNJAHQ-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(Cl)c1OC)C2 ZINC001140059570 1026838359 /nfs/dbraw/zinc/83/83/59/1026838359.db2.gz NPJAXCNCXNJAHQ-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP CC(C)(C)C(=O)Nc1ccc(N)[nH+]c1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001166890029 1027136165 /nfs/dbraw/zinc/13/61/65/1027136165.db2.gz VTIJJJYEHYQICH-SFHVURJKSA-N 2 2 381.524 3.897 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1Br)C2 ZINC001203321842 1027274912 /nfs/dbraw/zinc/27/49/12/1027274912.db2.gz VOOOURONZNGVHA-QUCCMNQESA-N 2 2 393.369 3.629 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1Br)C2 ZINC001203321842 1027274927 /nfs/dbraw/zinc/27/49/27/1027274927.db2.gz VOOOURONZNGVHA-QUCCMNQESA-N 2 2 393.369 3.629 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1Br)C2 ZINC001203321842 1027274942 /nfs/dbraw/zinc/27/49/42/1027274942.db2.gz VOOOURONZNGVHA-QUCCMNQESA-N 2 2 393.369 3.629 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1Br)C2 ZINC001203321842 1027274956 /nfs/dbraw/zinc/27/49/56/1027274956.db2.gz VOOOURONZNGVHA-QUCCMNQESA-N 2 2 393.369 3.629 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC001203768391 1027592089 /nfs/dbraw/zinc/59/20/89/1027592089.db2.gz RJCDQKFDQSZYOL-UHFFFAOYSA-N 2 2 396.963 3.666 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC001203768391 1027592097 /nfs/dbraw/zinc/59/20/97/1027592097.db2.gz RJCDQKFDQSZYOL-UHFFFAOYSA-N 2 2 396.963 3.666 20 0 GHADLP Clc1cc(Cl)cc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001203807741 1027622167 /nfs/dbraw/zinc/62/21/67/1027622167.db2.gz BVYVGDFHBBDAPF-UHFFFAOYSA-N 2 2 379.335 3.844 20 0 GHADLP Clc1cc(Cl)cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001203807741 1027622181 /nfs/dbraw/zinc/62/21/81/1027622181.db2.gz BVYVGDFHBBDAPF-UHFFFAOYSA-N 2 2 379.335 3.844 20 0 GHADLP C[NH2+]Cc1ccc(Nc2ccc[nH+]c2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001211130738 1027801284 /nfs/dbraw/zinc/80/12/84/1027801284.db2.gz UZHCWBFBKCLZCS-GOSISDBHSA-N 2 2 397.523 3.648 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC001204055225 1027841921 /nfs/dbraw/zinc/84/19/21/1027841921.db2.gz ZUHTWGYSLBLCQG-UHFFFAOYSA-N 2 2 383.492 3.651 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC001204055225 1027841936 /nfs/dbraw/zinc/84/19/36/1027841936.db2.gz ZUHTWGYSLBLCQG-UHFFFAOYSA-N 2 2 383.492 3.651 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2ccnc4ccccc24)CC3)n1 ZINC001204088015 1027865853 /nfs/dbraw/zinc/86/58/53/1027865853.db2.gz VKCGYKLEXPTYRY-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP C[C@@H](CNC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC001211278149 1027884477 /nfs/dbraw/zinc/88/44/77/1027884477.db2.gz WKGHHBFGIQRIIO-CEXWTWQISA-N 2 2 389.588 3.790 20 0 GHADLP C[C@@H](CNC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC001211278149 1027884494 /nfs/dbraw/zinc/88/44/94/1027884494.db2.gz WKGHHBFGIQRIIO-CEXWTWQISA-N 2 2 389.588 3.790 20 0 GHADLP Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000841032449 1028056992 /nfs/dbraw/zinc/05/69/92/1028056992.db2.gz DYPRWTXRAUSROH-ZDUSSCGKSA-N 2 2 386.849 3.942 20 0 GHADLP CCCCn1nc(C)c(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1Cl ZINC001461353613 1069515147 /nfs/dbraw/zinc/51/51/47/1069515147.db2.gz FJGCTFOUPLSIEF-QGZVFWFLSA-N 2 2 390.963 3.792 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3csc(Br)c3)[nH+]c2)C1 ZINC001461356751 1069516764 /nfs/dbraw/zinc/51/67/64/1069516764.db2.gz KZVCQBKLZGNQHD-CQSZACIVSA-N 2 2 381.343 3.658 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cccc3[nH]cnc31)CC2 ZINC001142679736 1029254094 /nfs/dbraw/zinc/25/40/94/1029254094.db2.gz KLELZQGPWALBFM-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cccc3[nH]cnc31)CC2 ZINC001142679736 1029254107 /nfs/dbraw/zinc/25/41/07/1029254107.db2.gz KLELZQGPWALBFM-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cccc3nc[nH]c31)CC2 ZINC001142679736 1029254123 /nfs/dbraw/zinc/25/41/23/1029254123.db2.gz KLELZQGPWALBFM-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cccc3nc[nH]c31)CC2 ZINC001142679736 1029254136 /nfs/dbraw/zinc/25/41/36/1029254136.db2.gz KLELZQGPWALBFM-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP CC[NH+](CC)[C@@H](c1nc([C@H]2CCC[NH2+]C2)no1)c1cccc(C(F)(F)F)c1 ZINC000842666770 1029469595 /nfs/dbraw/zinc/46/95/95/1029469595.db2.gz GMGILULSYYUTJM-GOEBONIOSA-N 2 2 382.430 3.987 20 0 GHADLP Fc1c(Br)cc(C(F)(F)F)cc1C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001222207963 1030005237 /nfs/dbraw/zinc/00/52/37/1030005237.db2.gz HMYWYDHAANCCMH-UHFFFAOYSA-N 2 2 381.211 3.792 20 0 GHADLP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1c(Cl)cccc1SC)CC[NH2+]CC2 ZINC001222226217 1030019516 /nfs/dbraw/zinc/01/95/16/1030019516.db2.gz OSUBKNYUVNMDSK-INIZCTEOSA-N 2 2 382.957 3.569 20 0 GHADLP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1c(Cl)cccc1SC)CC[NH2+]CC2 ZINC001222226217 1030019537 /nfs/dbraw/zinc/01/95/37/1030019537.db2.gz OSUBKNYUVNMDSK-INIZCTEOSA-N 2 2 382.957 3.569 20 0 GHADLP Brc1cc(CN2CCC3(CCCC[NH2+]3)CC2)ccc1-n1cc[nH+]c1 ZINC001222297632 1030057505 /nfs/dbraw/zinc/05/75/05/1030057505.db2.gz JFGVTVGAJBTMRC-UHFFFAOYSA-N 2 2 389.341 3.743 20 0 GHADLP Cc1ccc2c(c1)C1(CN2)CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001222483407 1030162670 /nfs/dbraw/zinc/16/26/70/1030162670.db2.gz ZQAVUOZLIYLDPD-UHFFFAOYSA-N 2 2 391.559 3.787 20 0 GHADLP Cc1csc(N2CCC([NH2+][C@@H](Cc3[nH+]ccn3C)c3ccccc3)CC2)n1 ZINC001461658718 1069663451 /nfs/dbraw/zinc/66/34/51/1069663451.db2.gz XOWPQIGVIONDOF-IBGZPJMESA-N 2 2 381.549 3.727 20 0 GHADLP Cc1ccc(-c2ccc(C[NH2+][C@@H]3CCCN(CC[NH+]4CCOCC4)C3)s2)cc1 ZINC001461712323 1069694903 /nfs/dbraw/zinc/69/49/03/1069694903.db2.gz XPUXKBURAZWWFG-OAQYLSRUSA-N 2 2 399.604 3.610 20 0 GHADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001151971553 1031064800 /nfs/dbraw/zinc/06/48/00/1031064800.db2.gz ICXMTNFTGXLSHA-PZKPASOESA-N 2 2 376.504 3.598 20 0 GHADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001151971553 1031064819 /nfs/dbraw/zinc/06/48/19/1031064819.db2.gz ICXMTNFTGXLSHA-PZKPASOESA-N 2 2 376.504 3.598 20 0 GHADLP Nc1ccc(-c2cc3cc(NC(=O)c4ccc([C@@H]([NH3+])C[NH3+])cc4)ccc3o2)cc1 ZINC001219215492 1031309180 /nfs/dbraw/zinc/30/91/80/1031309180.db2.gz ZGGMLTUCIQDVJR-FQEVSTJZSA-N 2 2 386.455 3.893 20 0 GHADLP CCN(C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC001461760306 1069729600 /nfs/dbraw/zinc/72/96/00/1069729600.db2.gz BUVOBZPHNCAWGJ-OAQYLSRUSA-N 2 2 377.532 3.826 20 0 GHADLP CCN(C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC001461760306 1069729615 /nfs/dbraw/zinc/72/96/15/1069729615.db2.gz BUVOBZPHNCAWGJ-OAQYLSRUSA-N 2 2 377.532 3.826 20 0 GHADLP O=C(c1c[nH]c2cc[nH+]cc12)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001152977232 1031416414 /nfs/dbraw/zinc/41/64/14/1031416414.db2.gz LBQVQEZNPJQRGD-LFWOZUSOSA-N 2 2 376.504 3.598 20 0 GHADLP O=C(c1c[nH]c2cc[nH+]cc12)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001152977232 1031416421 /nfs/dbraw/zinc/41/64/21/1031416421.db2.gz LBQVQEZNPJQRGD-LFWOZUSOSA-N 2 2 376.504 3.598 20 0 GHADLP C[C@@H]([NH3+])c1cccc(C(=O)NC2C[NH+](C(c3ccccc3)c3ccccc3)C2)c1 ZINC001219716209 1031575592 /nfs/dbraw/zinc/57/55/92/1031575592.db2.gz FWPKALGMINBZFJ-GOSISDBHSA-N 2 2 385.511 3.910 20 0 GHADLP CN(C(=O)/C=C\C=C(Cl)Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001153503218 1031620434 /nfs/dbraw/zinc/62/04/34/1031620434.db2.gz CCNYISCXEAWYJC-HJMWAZGYSA-N 2 2 388.383 3.657 20 0 GHADLP CN(C(=O)/C=C\C=C(Cl)Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001153503218 1031620447 /nfs/dbraw/zinc/62/04/47/1031620447.db2.gz CCNYISCXEAWYJC-HJMWAZGYSA-N 2 2 388.383 3.657 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[NH2+]Cc2ccsc21)c1ccccc1Cl ZINC001219825625 1031639673 /nfs/dbraw/zinc/63/96/73/1031639673.db2.gz LVQQIFBEJIIOMI-IAGOWNOFSA-N 2 2 377.941 3.745 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC001220529628 1031978401 /nfs/dbraw/zinc/97/84/01/1031978401.db2.gz GYHQMJUVJDUWEL-KBXCAEBGSA-N 2 2 398.378 3.882 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@H](C[NH3+])Cc1ccccc1)c1ccc(Cl)cc1Cl ZINC001220534531 1031981008 /nfs/dbraw/zinc/98/10/08/1031981008.db2.gz ZZYCHCVMEXUMNX-HNAYVOBHSA-N 2 2 394.346 3.530 20 0 GHADLP Fc1cccc(C2(c3nc(-c4ccc(-n5cc[nH+]c5)cc4)no3)CC[NH2+]CC2)c1 ZINC001206177704 1033755633 /nfs/dbraw/zinc/75/56/33/1033755633.db2.gz ZVGIFEYBAAPYDI-UHFFFAOYSA-N 2 2 389.434 3.731 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1cccc2c1C1(C=C2)CC[NH2+]CC1 ZINC001206510648 1033881947 /nfs/dbraw/zinc/88/19/47/1033881947.db2.gz TYMMTBPUHGFFCU-UHFFFAOYSA-N 2 2 390.527 3.842 20 0 GHADLP CCN(CC)c1cc(N(Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)nc[nH+]1 ZINC001158158666 1033943437 /nfs/dbraw/zinc/94/34/37/1033943437.db2.gz SMDJESIVGKNBQC-WGSAOQKQSA-N 2 2 383.540 3.608 20 0 GHADLP CCN(CC)c1cc(N(Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)[nH+]cn1 ZINC001158158666 1033943442 /nfs/dbraw/zinc/94/34/42/1033943442.db2.gz SMDJESIVGKNBQC-WGSAOQKQSA-N 2 2 383.540 3.608 20 0 GHADLP Fc1cc(C[NH+]2CCOCC2)ccc1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC001206719333 1033956705 /nfs/dbraw/zinc/95/67/05/1033956705.db2.gz HJAVBPRKVLKFBZ-UHFFFAOYSA-N 2 2 384.495 3.800 20 0 GHADLP CCC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)[C@@H](c3ccc(Br)cc3)C2)C1 ZINC001206777934 1033979916 /nfs/dbraw/zinc/97/99/16/1033979916.db2.gz XFTRYTMIDDRAQN-GBESFXJTSA-N 2 2 380.374 3.658 20 0 GHADLP CCC[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)[C@@H](c3ccc(Br)cc3)C2)C1 ZINC001206777934 1033979926 /nfs/dbraw/zinc/97/99/26/1033979926.db2.gz XFTRYTMIDDRAQN-GBESFXJTSA-N 2 2 380.374 3.658 20 0 GHADLP CCC[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)[C@@H](c3ccc(Br)cc3)C2)C1 ZINC001206777934 1033979931 /nfs/dbraw/zinc/97/99/31/1033979931.db2.gz XFTRYTMIDDRAQN-GBESFXJTSA-N 2 2 380.374 3.658 20 0 GHADLP CCC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)[C@@H](c3ccc(Br)cc3)C2)C1 ZINC001206777934 1033979935 /nfs/dbraw/zinc/97/99/35/1033979935.db2.gz XFTRYTMIDDRAQN-GBESFXJTSA-N 2 2 380.374 3.658 20 0 GHADLP COCCO[C@@H]1CCC2(CC[NH+](Cc3c[nH+]c(C)n3C)CC2)c2ccccc21 ZINC001206793363 1033985536 /nfs/dbraw/zinc/98/55/36/1033985536.db2.gz UXJGNVYTFPZSRF-JOCHJYFZSA-N 2 2 383.536 3.760 20 0 GHADLP Cc1[nH+]c(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)cc2[nH]ccc21 ZINC001158590299 1034182205 /nfs/dbraw/zinc/18/22/05/1034182205.db2.gz NIGZBDONZYHUIT-YLJYHZDGSA-N 2 2 378.476 3.742 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](C[C@@H]1CCOC(C)(C)C1)C2 ZINC001207357827 1034302599 /nfs/dbraw/zinc/30/25/99/1034302599.db2.gz OGJGFVQMQBUAKC-GOSISDBHSA-N 2 2 383.536 3.870 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](C[C@@H]1CCOC(C)(C)C1)C2 ZINC001207357827 1034302614 /nfs/dbraw/zinc/30/26/14/1034302614.db2.gz OGJGFVQMQBUAKC-GOSISDBHSA-N 2 2 383.536 3.870 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](C[C@@H]1CCOC(C)(C)C1)C2 ZINC001207357827 1034302627 /nfs/dbraw/zinc/30/26/27/1034302627.db2.gz OGJGFVQMQBUAKC-GOSISDBHSA-N 2 2 383.536 3.870 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](C[C@@H]1CCOC(C)(C)C1)C2 ZINC001207357827 1034302647 /nfs/dbraw/zinc/30/26/47/1034302647.db2.gz OGJGFVQMQBUAKC-GOSISDBHSA-N 2 2 383.536 3.870 20 0 GHADLP C[N@H+](Cc1ccccc1)C1CC[NH+](C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001207374674 1034317741 /nfs/dbraw/zinc/31/77/41/1034317741.db2.gz QADANBLFXFZZRI-OAQYLSRUSA-N 2 2 387.568 3.982 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001207374674 1034317757 /nfs/dbraw/zinc/31/77/57/1034317757.db2.gz QADANBLFXFZZRI-OAQYLSRUSA-N 2 2 387.568 3.982 20 0 GHADLP Cc1cc(N2CC[NH+](C[C@@H]3CC=C(CCCC(C)(C)O)CC3)CC2)nc(C)[nH+]1 ZINC001207408020 1034349043 /nfs/dbraw/zinc/34/90/43/1034349043.db2.gz SBCUAQWPLPHKLH-OAQYLSRUSA-N 2 2 386.584 3.883 20 0 GHADLP c1ccc(C(c2ccccc2)[NH+]2CC3(C2)CC[N@@H+](CC2CC[NH2+]CC2)C3)cc1 ZINC001207441837 1034370778 /nfs/dbraw/zinc/37/07/78/1034370778.db2.gz MTKQZQYSWYWVFV-UHFFFAOYSA-N 3 2 375.560 3.783 20 0 GHADLP c1ccc(C(c2ccccc2)[NH+]2CC3(C2)CC[N@H+](CC2CC[NH2+]CC2)C3)cc1 ZINC001207441837 1034370792 /nfs/dbraw/zinc/37/07/92/1034370792.db2.gz MTKQZQYSWYWVFV-UHFFFAOYSA-N 3 2 375.560 3.783 20 0 GHADLP CC(C)COc1ncc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)cc1Cl ZINC001159261362 1034510176 /nfs/dbraw/zinc/51/01/76/1034510176.db2.gz IXNIIMNQYKOBOC-UHFFFAOYSA-N 2 2 375.904 3.836 20 0 GHADLP FC1(F)CC[N@H+](Cc2cccc3c[nH]nc32)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001231970730 1035015239 /nfs/dbraw/zinc/01/52/39/1035015239.db2.gz BJZIPBSIOSEMLM-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[N@@H+](Cc2cccc3c[nH]nc32)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001231970730 1035015245 /nfs/dbraw/zinc/01/52/45/1035015245.db2.gz BJZIPBSIOSEMLM-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2cccc3c[nH]nc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001231970730 1035015253 /nfs/dbraw/zinc/01/52/53/1035015253.db2.gz BJZIPBSIOSEMLM-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2cccc3c[nH]nc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001231970730 1035015264 /nfs/dbraw/zinc/01/52/64/1035015264.db2.gz BJZIPBSIOSEMLM-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP CC[C@H](CCC(=O)OC)C[NH+]1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001208783529 1035019837 /nfs/dbraw/zinc/01/98/37/1035019837.db2.gz RAOUOVHATYLEKE-GOSISDBHSA-N 2 2 393.597 3.861 20 0 GHADLP CC[C@H](CCC(=O)OC)C[NH+]1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001208783529 1035019847 /nfs/dbraw/zinc/01/98/47/1035019847.db2.gz RAOUOVHATYLEKE-GOSISDBHSA-N 2 2 393.597 3.861 20 0 GHADLP C[C@@H](C[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1)C(F)(F)F ZINC001208889977 1035076104 /nfs/dbraw/zinc/07/61/04/1035076104.db2.gz CYZVDRCLEKGODM-HOCLYGCPSA-N 2 2 377.401 3.813 20 0 GHADLP C[C@@H](C[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1)C(F)(F)F ZINC001208889977 1035076109 /nfs/dbraw/zinc/07/61/09/1035076109.db2.gz CYZVDRCLEKGODM-HOCLYGCPSA-N 2 2 377.401 3.813 20 0 GHADLP C[C@@H](C[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1)C(F)(F)F ZINC001208889977 1035076117 /nfs/dbraw/zinc/07/61/17/1035076117.db2.gz CYZVDRCLEKGODM-HOCLYGCPSA-N 2 2 377.401 3.813 20 0 GHADLP C[C@@H](C[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1)C(F)(F)F ZINC001208889977 1035076127 /nfs/dbraw/zinc/07/61/27/1035076127.db2.gz CYZVDRCLEKGODM-HOCLYGCPSA-N 2 2 377.401 3.813 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)[nH]1 ZINC001232077152 1035080673 /nfs/dbraw/zinc/08/06/73/1035080673.db2.gz MRWZQQYUSAZCON-CVAIRZPRSA-N 2 2 387.549 3.595 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)[nH]1 ZINC001232077152 1035080680 /nfs/dbraw/zinc/08/06/80/1035080680.db2.gz MRWZQQYUSAZCON-CVAIRZPRSA-N 2 2 387.549 3.595 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)[nH]1 ZINC001232077152 1035080687 /nfs/dbraw/zinc/08/06/87/1035080687.db2.gz MRWZQQYUSAZCON-CVAIRZPRSA-N 2 2 387.549 3.595 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)[nH]1 ZINC001232077152 1035080697 /nfs/dbraw/zinc/08/06/97/1035080697.db2.gz MRWZQQYUSAZCON-CVAIRZPRSA-N 2 2 387.549 3.595 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)[C@@H]2C1 ZINC001208931730 1035095901 /nfs/dbraw/zinc/09/59/01/1035095901.db2.gz LTXWYDZNXBKTIM-BHDDXSALSA-N 2 2 399.579 3.840 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)[C@@H]2C1 ZINC001208931730 1035095907 /nfs/dbraw/zinc/09/59/07/1035095907.db2.gz LTXWYDZNXBKTIM-BHDDXSALSA-N 2 2 399.579 3.840 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC001208931730 1035095914 /nfs/dbraw/zinc/09/59/14/1035095914.db2.gz LTXWYDZNXBKTIM-BHDDXSALSA-N 2 2 399.579 3.840 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC001208931730 1035095918 /nfs/dbraw/zinc/09/59/18/1035095918.db2.gz LTXWYDZNXBKTIM-BHDDXSALSA-N 2 2 399.579 3.840 20 0 GHADLP Fc1ccccc1C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208938463 1035106432 /nfs/dbraw/zinc/10/64/32/1035106432.db2.gz ZXCVRCCPIYWMDN-JOCHJYFZSA-N 2 2 381.539 3.856 20 0 GHADLP Fc1ccccc1C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208938463 1035106436 /nfs/dbraw/zinc/10/64/36/1035106436.db2.gz ZXCVRCCPIYWMDN-JOCHJYFZSA-N 2 2 381.539 3.856 20 0 GHADLP Fc1ccccc1CN1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208938463 1035106441 /nfs/dbraw/zinc/10/64/41/1035106441.db2.gz ZXCVRCCPIYWMDN-JOCHJYFZSA-N 2 2 381.539 3.856 20 0 GHADLP Fc1ccccc1CN1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208938463 1035106445 /nfs/dbraw/zinc/10/64/45/1035106445.db2.gz ZXCVRCCPIYWMDN-JOCHJYFZSA-N 2 2 381.539 3.856 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208938325 1035106781 /nfs/dbraw/zinc/10/67/81/1035106781.db2.gz VXDSXVGCBUXGOC-ACRUOGEOSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208938325 1035106785 /nfs/dbraw/zinc/10/67/85/1035106785.db2.gz VXDSXVGCBUXGOC-ACRUOGEOSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208938325 1035106790 /nfs/dbraw/zinc/10/67/90/1035106790.db2.gz VXDSXVGCBUXGOC-ACRUOGEOSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208938325 1035106796 /nfs/dbraw/zinc/10/67/96/1035106796.db2.gz VXDSXVGCBUXGOC-ACRUOGEOSA-N 2 2 385.552 3.592 20 0 GHADLP c1cc2c(ccnc2N2CC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC001208939847 1035107970 /nfs/dbraw/zinc/10/79/70/1035107970.db2.gz KBAZTHYKIYKXMV-OAQYLSRUSA-N 2 2 390.531 3.862 20 0 GHADLP c1cc2c(ccnc2N2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC001208939847 1035107975 /nfs/dbraw/zinc/10/79/75/1035107975.db2.gz KBAZTHYKIYKXMV-OAQYLSRUSA-N 2 2 390.531 3.862 20 0 GHADLP CC(C)(C)OC(=O)NCC1(C)C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939558 1035108058 /nfs/dbraw/zinc/10/80/58/1035108058.db2.gz CORRATIAWKJENR-HXUWFJFHSA-N 2 2 387.568 3.745 20 0 GHADLP CC(C)(C)OC(=O)NCC1(C)C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939558 1035108059 /nfs/dbraw/zinc/10/80/59/1035108059.db2.gz CORRATIAWKJENR-HXUWFJFHSA-N 2 2 387.568 3.745 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCN(c4nccc5ccccc54)CC3)C2)cc1 ZINC001208949256 1035120700 /nfs/dbraw/zinc/12/07/00/1035120700.db2.gz JLNHEFWHOGETGM-JOCHJYFZSA-N 2 2 386.543 3.879 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCN(c4nccc5ccccc54)CC3)C2)cc1 ZINC001208949256 1035120707 /nfs/dbraw/zinc/12/07/07/1035120707.db2.gz JLNHEFWHOGETGM-JOCHJYFZSA-N 2 2 386.543 3.879 20 0 GHADLP CCOc1ccccc1N1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208949472 1035121003 /nfs/dbraw/zinc/12/10/03/1035121003.db2.gz VYQLISBRPWSDTN-QFIPXVFZSA-N 2 2 379.548 3.729 20 0 GHADLP CCOc1ccccc1N1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208949472 1035121008 /nfs/dbraw/zinc/12/10/08/1035121008.db2.gz VYQLISBRPWSDTN-QFIPXVFZSA-N 2 2 379.548 3.729 20 0 GHADLP CCOC(=O)c1cc2cc(N3CC[NH+](CCC[NH+]4CCCCC4)CC3)ccc2o1 ZINC001209452152 1035277810 /nfs/dbraw/zinc/27/78/10/1035277810.db2.gz FQBOLMUZVUUCQL-UHFFFAOYSA-N 2 2 399.535 3.608 20 0 GHADLP Cc1ccc2[nH]cc(C[NH+]3CCC4(CCC[N@H+]4Cc4ccn(C)n4)CC3)c2c1 ZINC001209493359 1035292441 /nfs/dbraw/zinc/29/24/41/1035292441.db2.gz OIMZIKQKXGVZAE-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP Cc1ccc2[nH]cc(C[NH+]3CCC4(CCC[N@@H+]4Cc4ccn(C)n4)CC3)c2c1 ZINC001209493359 1035292444 /nfs/dbraw/zinc/29/24/44/1035292444.db2.gz OIMZIKQKXGVZAE-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP COc1cc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc(F)c1O ZINC001209532032 1035306256 /nfs/dbraw/zinc/30/62/56/1035306256.db2.gz NXCMJYWVKRWKQK-XHYAQGIWSA-N 2 2 386.511 3.935 20 0 GHADLP COc1cc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc(F)c1O ZINC001209532032 1035306258 /nfs/dbraw/zinc/30/62/58/1035306258.db2.gz NXCMJYWVKRWKQK-XHYAQGIWSA-N 2 2 386.511 3.935 20 0 GHADLP COc1cc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc(F)c1O ZINC001209532032 1035306261 /nfs/dbraw/zinc/30/62/61/1035306261.db2.gz NXCMJYWVKRWKQK-XHYAQGIWSA-N 2 2 386.511 3.935 20 0 GHADLP COc1cc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc(F)c1O ZINC001209532032 1035306265 /nfs/dbraw/zinc/30/62/65/1035306265.db2.gz NXCMJYWVKRWKQK-XHYAQGIWSA-N 2 2 386.511 3.935 20 0 GHADLP Cc1sc2nc(C[NH+](C)C)nc(-c3ccccc3C[NH+]3CCOCC3)c2c1C ZINC001241988713 1035780373 /nfs/dbraw/zinc/78/03/73/1035780373.db2.gz BRKUGZWLCZMSPV-UHFFFAOYSA-N 2 2 396.560 3.869 20 0 GHADLP CCCN(CCC)C(=O)c1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1 ZINC001243256486 1036081107 /nfs/dbraw/zinc/08/11/07/1036081107.db2.gz AHHCFJDEMVOUPX-UHFFFAOYSA-N 2 2 376.504 3.950 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(F)c(C(=O)N4CCCCC4)c3)c2)C1 ZINC001243296479 1036102404 /nfs/dbraw/zinc/10/24/04/1036102404.db2.gz GYCDWWSZOQXRLS-HXUWFJFHSA-N 2 2 381.495 3.652 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)c(C(=O)N4CCCCC4)c3)c2)C1 ZINC001243296479 1036102409 /nfs/dbraw/zinc/10/24/09/1036102409.db2.gz GYCDWWSZOQXRLS-HXUWFJFHSA-N 2 2 381.495 3.652 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cc2)C1 ZINC001243406976 1036140135 /nfs/dbraw/zinc/14/01/35/1036140135.db2.gz DODLYGRFUOODCU-QFIPXVFZSA-N 2 2 381.495 3.652 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cc2)C1 ZINC001243406976 1036140142 /nfs/dbraw/zinc/14/01/42/1036140142.db2.gz DODLYGRFUOODCU-QFIPXVFZSA-N 2 2 381.495 3.652 20 0 GHADLP C[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2F)nc1 ZINC001244135472 1036387415 /nfs/dbraw/zinc/38/74/15/1036387415.db2.gz HODFQUUHOKHPBN-HSZRJFAPSA-N 2 2 399.510 3.756 20 0 GHADLP C[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2F)nc1 ZINC001244135472 1036387436 /nfs/dbraw/zinc/38/74/36/1036387436.db2.gz HODFQUUHOKHPBN-HSZRJFAPSA-N 2 2 399.510 3.756 20 0 GHADLP c1cn(-c2ccc(-c3ccc(C4=CC[C@@H]([NH+]5CCOCC5)CC4)nn3)cc2)c[nH+]1 ZINC001245420264 1036916954 /nfs/dbraw/zinc/91/69/54/1036916954.db2.gz SEKGPWDXCSHWMI-HXUWFJFHSA-N 2 2 387.487 3.597 20 0 GHADLP C[N@@H+](Cc1cc(F)ccc1Oc1ccccc1)C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246043994 1037157031 /nfs/dbraw/zinc/15/70/31/1037157031.db2.gz DYCBEAZNXVISIF-XZOQPEGZSA-N 2 2 394.490 3.981 20 0 GHADLP C[N@H+](Cc1cc(F)ccc1Oc1ccccc1)C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246043994 1037157041 /nfs/dbraw/zinc/15/70/41/1037157041.db2.gz DYCBEAZNXVISIF-XZOQPEGZSA-N 2 2 394.490 3.981 20 0 GHADLP CC(C)c1ccc(OC[C@@H](O)C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc1 ZINC001246061841 1037173443 /nfs/dbraw/zinc/17/34/43/1037173443.db2.gz WGVPJEIOFNJYJM-NRFANRHFSA-N 2 2 380.532 3.644 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+][C@H](Cc3ccccc3)C1)CO2 ZINC001246250279 1037254012 /nfs/dbraw/zinc/25/40/12/1037254012.db2.gz MAUIXXDYKYTKCQ-ZHALLVOQSA-N 2 2 387.321 3.836 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@@H](n2c(C)c(CC[NH3+])c3c2cc(Cl)cc3Cl)C[NH2+]1 ZINC001246259314 1037259073 /nfs/dbraw/zinc/25/90/73/1037259073.db2.gz NNXPKNZINNSZEE-CJNGLKHVSA-N 2 2 398.334 3.614 20 0 GHADLP CC[C@H]([NH2+][C@@H](C)CC[NH2+]C)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 ZINC001246312624 1037289805 /nfs/dbraw/zinc/28/98/05/1037289805.db2.gz YKLOGKYLYFCUIK-YJBOKZPZSA-N 2 2 382.483 3.564 20 0 GHADLP Brc1ccc2c(c1)OC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246375100 1037333209 /nfs/dbraw/zinc/33/32/09/1037333209.db2.gz OMRBFBMIJGBLST-AOIWGVFYSA-N 2 2 387.321 3.836 20 0 GHADLP FC(F)(F)c1cccc(CC2(C[NH2+][C@H]3CC4CC[NH+](CC4)C3)CC[NH2+]CC2)c1 ZINC001246412546 1037366973 /nfs/dbraw/zinc/36/69/73/1037366973.db2.gz HLECTLJDPHDPGD-FQEVSTJZSA-N 3 2 395.513 3.692 20 0 GHADLP CC(C)[C@H]1C[C@@H]([NH2+]C2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246436880 1037399458 /nfs/dbraw/zinc/39/94/58/1037399458.db2.gz MNWDHKNCOFRPRS-RBUKOAKNSA-N 3 2 383.502 3.736 20 0 GHADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246535125 1037467849 /nfs/dbraw/zinc/46/78/49/1037467849.db2.gz VXGBYMGJUWFIFC-YGOYIFOWSA-N 2 2 381.539 3.695 20 0 GHADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246535125 1037467866 /nfs/dbraw/zinc/46/78/66/1037467866.db2.gz VXGBYMGJUWFIFC-YGOYIFOWSA-N 2 2 381.539 3.695 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[N@H+]([C@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246593959 1037493739 /nfs/dbraw/zinc/49/37/39/1037493739.db2.gz OGXROPZXRGVDAC-UNMCSNQZSA-N 2 2 382.479 3.772 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[N@@H+]([C@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246593959 1037493757 /nfs/dbraw/zinc/49/37/57/1037493757.db2.gz OGXROPZXRGVDAC-UNMCSNQZSA-N 2 2 382.479 3.772 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2C[C@@H](c4ccccc4)C4(C[NH2+]C4)C2)C3)cc1 ZINC001246617969 1037509027 /nfs/dbraw/zinc/50/90/27/1037509027.db2.gz FAHJDWUYBUZPBP-NDBXHCKUSA-N 3 2 387.571 3.871 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2C[C@@H](c4ccccc4)C4(C[NH2+]C4)C2)C3)cc1 ZINC001246617969 1037509037 /nfs/dbraw/zinc/50/90/37/1037509037.db2.gz FAHJDWUYBUZPBP-NDBXHCKUSA-N 3 2 387.571 3.871 20 0 GHADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2C[C@@H](c4ccccc4)C4(C[NH2+]C4)C2)C3)cc1 ZINC001246617969 1037509045 /nfs/dbraw/zinc/50/90/45/1037509045.db2.gz FAHJDWUYBUZPBP-NDBXHCKUSA-N 3 2 387.571 3.871 20 0 GHADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2C[C@@H](c4ccccc4)C4(C[NH2+]C4)C2)C3)cc1 ZINC001246617969 1037509055 /nfs/dbraw/zinc/50/90/55/1037509055.db2.gz FAHJDWUYBUZPBP-NDBXHCKUSA-N 3 2 387.571 3.871 20 0 GHADLP O=C(OC1CCC([N@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)CC1)c1ccccc1 ZINC001246661614 1037533500 /nfs/dbraw/zinc/53/35/00/1037533500.db2.gz GUABOZOYEMSMKX-ZYFYDLNSSA-N 2 2 376.500 3.726 20 0 GHADLP O=C(OC1CCC([N@@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)CC1)c1ccccc1 ZINC001246661614 1037533517 /nfs/dbraw/zinc/53/35/17/1037533517.db2.gz GUABOZOYEMSMKX-ZYFYDLNSSA-N 2 2 376.500 3.726 20 0 GHADLP Cn1cnc2c1cc(C1CC[NH+]([C@H]3CCC[NH2+]C3)CC1)nc2-c1ccccc1 ZINC001246700190 1037556439 /nfs/dbraw/zinc/55/64/39/1037556439.db2.gz ZLVURTHCZLYWMT-IBGZPJMESA-N 2 2 375.520 3.567 20 0 GHADLP FC(F)(F)c1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)nc1 ZINC001246770099 1037610387 /nfs/dbraw/zinc/61/03/87/1037610387.db2.gz NOMJRVPRWFYWOA-OALUTQOASA-N 2 2 390.453 3.716 20 0 GHADLP c1ccc(C[C@@H]2C[C@@H]([NH+]3CCN(c4nc5ccccc5s4)CC3)CC[NH2+]2)cc1 ZINC001246775536 1037615616 /nfs/dbraw/zinc/61/56/16/1037615616.db2.gz GKAATWZRLSEKOG-UXHICEINSA-N 2 2 392.572 3.782 20 0 GHADLP CCCC[C@@H]1C[C@H]([NH+]2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246784749 1037623905 /nfs/dbraw/zinc/62/39/05/1037623905.db2.gz ZCKVDIQIFBKUTI-WOJBJXKFSA-N 2 2 394.401 3.878 20 0 GHADLP C[C@H]1CC[C@@H](N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C[NH2+]1 ZINC001246793416 1037633469 /nfs/dbraw/zinc/63/34/69/1037633469.db2.gz YTOZKZYRLXSCSC-HTAPYJJXSA-N 2 2 385.502 3.812 20 0 GHADLP C[NH2+][C@@H]1CC[N@@H+](C2CCC(OCOC)(c3ccc(Br)cc3)CC2)C1 ZINC001246814378 1037647554 /nfs/dbraw/zinc/64/75/54/1037647554.db2.gz QXYCJKFLUMOXLK-LMDPOFIKSA-N 2 2 397.357 3.501 20 0 GHADLP C[NH2+][C@@H]1CC[N@H+](C2CCC(OCOC)(c3ccc(Br)cc3)CC2)C1 ZINC001246814378 1037647564 /nfs/dbraw/zinc/64/75/64/1037647564.db2.gz QXYCJKFLUMOXLK-LMDPOFIKSA-N 2 2 397.357 3.501 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([NH+]2CCN(c3nccc4occc43)CC2)CC[NH2+]1 ZINC001246815414 1037647870 /nfs/dbraw/zinc/64/78/70/1037647870.db2.gz BTKOKJDABHLPJY-WIYYLYMNSA-N 2 2 394.494 3.891 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+]([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246894754 1037710145 /nfs/dbraw/zinc/71/01/45/1037710145.db2.gz PWXBHMMQSDDYTQ-JBXUNAHCSA-N 3 2 375.560 3.934 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[NH+]([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246894754 1037710166 /nfs/dbraw/zinc/71/01/66/1037710166.db2.gz PWXBHMMQSDDYTQ-JBXUNAHCSA-N 3 2 375.560 3.934 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+]([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246894754 1037710183 /nfs/dbraw/zinc/71/01/83/1037710183.db2.gz PWXBHMMQSDDYTQ-JBXUNAHCSA-N 3 2 375.560 3.934 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3CC[N@H+]([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246894754 1037710204 /nfs/dbraw/zinc/71/02/04/1037710204.db2.gz PWXBHMMQSDDYTQ-JBXUNAHCSA-N 3 2 375.560 3.934 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246954195 1037761390 /nfs/dbraw/zinc/76/13/90/1037761390.db2.gz FESYGBVMWXWQME-RHSMWYFYSA-N 2 2 398.469 3.780 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246954195 1037761405 /nfs/dbraw/zinc/76/14/05/1037761405.db2.gz FESYGBVMWXWQME-RHSMWYFYSA-N 2 2 398.469 3.780 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)[nH+]c1 ZINC001246960416 1037781014 /nfs/dbraw/zinc/78/10/14/1037781014.db2.gz KYZPCTBLSXPONC-UNMCSNQZSA-N 3 2 382.527 3.889 20 0 GHADLP CC[N@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246974833 1037798966 /nfs/dbraw/zinc/79/89/66/1037798966.db2.gz JZUIABORWACYFW-DSITVLBTSA-N 2 2 393.575 3.703 20 0 GHADLP CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246974833 1037798978 /nfs/dbraw/zinc/79/89/78/1037798978.db2.gz JZUIABORWACYFW-DSITVLBTSA-N 2 2 393.575 3.703 20 0 GHADLP Clc1ccccc1N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001247006348 1037829686 /nfs/dbraw/zinc/82/96/86/1037829686.db2.gz IRSFFGVMNDUJKE-WOZUAGRISA-N 2 2 381.951 3.966 20 0 GHADLP Clc1ccccc1N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001247006348 1037829712 /nfs/dbraw/zinc/82/97/12/1037829712.db2.gz IRSFFGVMNDUJKE-WOZUAGRISA-N 2 2 381.951 3.966 20 0 GHADLP Clc1ccccc1N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001247006347 1037830348 /nfs/dbraw/zinc/83/03/48/1037830348.db2.gz IRSFFGVMNDUJKE-TUFLPTIASA-N 2 2 381.951 3.966 20 0 GHADLP Clc1ccccc1N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001247006347 1037830361 /nfs/dbraw/zinc/83/03/61/1037830361.db2.gz IRSFFGVMNDUJKE-TUFLPTIASA-N 2 2 381.951 3.966 20 0 GHADLP CCOc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1C ZINC001232308375 1038061349 /nfs/dbraw/zinc/06/13/49/1038061349.db2.gz IPAZTQNMVPHMPE-ACIOBRDBSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1C ZINC001232308375 1038061372 /nfs/dbraw/zinc/06/13/72/1038061372.db2.gz IPAZTQNMVPHMPE-ACIOBRDBSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1C ZINC001232308375 1038061387 /nfs/dbraw/zinc/06/13/87/1038061387.db2.gz IPAZTQNMVPHMPE-ACIOBRDBSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1C ZINC001232308375 1038061406 /nfs/dbraw/zinc/06/14/06/1038061406.db2.gz IPAZTQNMVPHMPE-ACIOBRDBSA-N 2 2 394.563 3.916 20 0 GHADLP Fc1cc(-c2noc([C@@H]3[NH2+]C4CCC3CC4)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247633651 1038284218 /nfs/dbraw/zinc/28/42/18/1038284218.db2.gz KSNAKOGQTABQSQ-ORVPOFLASA-N 2 2 379.439 3.811 20 0 GHADLP c1cc2cc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCC3CC3)ncc2o1 ZINC001232550125 1038316728 /nfs/dbraw/zinc/31/67/28/1038316728.db2.gz JNXXJPCDONFRLL-QPPBQGQZSA-N 2 2 395.547 3.788 20 0 GHADLP c1cc2cc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCC3CC3)ncc2o1 ZINC001232550125 1038316737 /nfs/dbraw/zinc/31/67/37/1038316737.db2.gz JNXXJPCDONFRLL-QPPBQGQZSA-N 2 2 395.547 3.788 20 0 GHADLP c1cc2cc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)ncc2o1 ZINC001232550125 1038316752 /nfs/dbraw/zinc/31/67/52/1038316752.db2.gz JNXXJPCDONFRLL-QPPBQGQZSA-N 2 2 395.547 3.788 20 0 GHADLP c1cc2cc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)ncc2o1 ZINC001232550125 1038316764 /nfs/dbraw/zinc/31/67/64/1038316764.db2.gz JNXXJPCDONFRLL-QPPBQGQZSA-N 2 2 395.547 3.788 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)c2ccc(OC)nc12 ZINC001232647427 1038433636 /nfs/dbraw/zinc/43/36/36/1038433636.db2.gz NMPSORBBCXQWME-UHFFFAOYSA-N 2 2 389.297 3.725 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)c2ccc(OC)nc12 ZINC001232647427 1038433642 /nfs/dbraw/zinc/43/36/42/1038433642.db2.gz NMPSORBBCXQWME-UHFFFAOYSA-N 2 2 389.297 3.725 20 0 GHADLP c1cn(-c2ccccc2-c2noc([C@H]3Oc4ccccc4C34CC[NH2+]CC4)n2)c[nH+]1 ZINC001247899871 1038472307 /nfs/dbraw/zinc/47/23/07/1038472307.db2.gz WHYLEUNHOSHLLD-HXUWFJFHSA-N 2 2 399.454 3.677 20 0 GHADLP COc1ccc(Br)nc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001232818671 1038573308 /nfs/dbraw/zinc/57/33/08/1038573308.db2.gz OGYIXCRWRZMVMI-UHFFFAOYSA-N 2 2 382.346 3.692 20 0 GHADLP COc1ccc(Br)nc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001232818671 1038573317 /nfs/dbraw/zinc/57/33/17/1038573317.db2.gz OGYIXCRWRZMVMI-UHFFFAOYSA-N 2 2 382.346 3.692 20 0 GHADLP c1ccn(-c2ccccc2C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC001232911172 1038707674 /nfs/dbraw/zinc/70/76/74/1038707674.db2.gz IBKPTOLMPYQFHW-UHFFFAOYSA-N 2 2 391.515 3.937 20 0 GHADLP c1ccn(-c2ccccc2C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC001232911172 1038707684 /nfs/dbraw/zinc/70/76/84/1038707684.db2.gz IBKPTOLMPYQFHW-UHFFFAOYSA-N 2 2 391.515 3.937 20 0 GHADLP COc1ncc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c2ccccc21 ZINC001232949770 1038726526 /nfs/dbraw/zinc/72/65/26/1038726526.db2.gz ZUCNLPJTONURKH-HDICACEKSA-N 2 2 379.529 3.869 20 0 GHADLP COc1ncc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c2ccccc21 ZINC001232949770 1038726531 /nfs/dbraw/zinc/72/65/31/1038726531.db2.gz ZUCNLPJTONURKH-HDICACEKSA-N 2 2 379.529 3.869 20 0 GHADLP COc1ncc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c2ccccc21 ZINC001232949770 1038726534 /nfs/dbraw/zinc/72/65/34/1038726534.db2.gz ZUCNLPJTONURKH-HDICACEKSA-N 2 2 379.529 3.869 20 0 GHADLP COc1ncc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c2ccccc21 ZINC001232949770 1038726538 /nfs/dbraw/zinc/72/65/38/1038726538.db2.gz ZUCNLPJTONURKH-HDICACEKSA-N 2 2 379.529 3.869 20 0 GHADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC001252283405 1038923084 /nfs/dbraw/zinc/92/30/84/1038923084.db2.gz GJCLFFRXNBLXEB-DEOSSOPVSA-N 2 2 382.548 3.551 20 0 GHADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC001252283405 1038923093 /nfs/dbraw/zinc/92/30/93/1038923093.db2.gz GJCLFFRXNBLXEB-DEOSSOPVSA-N 2 2 382.548 3.551 20 0 GHADLP Cc1ccccc1[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC001252917516 1039256820 /nfs/dbraw/zinc/25/68/20/1039256820.db2.gz SZNIDLXUOVEZSY-JWQCQUIFSA-N 2 2 387.527 3.706 20 0 GHADLP Cc1ccccc1[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC001252917516 1039256831 /nfs/dbraw/zinc/25/68/31/1039256831.db2.gz SZNIDLXUOVEZSY-JWQCQUIFSA-N 2 2 387.527 3.706 20 0 GHADLP O[C@@]1(C[NH+]2CCC(c3ccc(F)cc3F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252936131 1039274689 /nfs/dbraw/zinc/27/46/89/1039274689.db2.gz GIDJWGBAUZHVKE-HSZRJFAPSA-N 2 2 386.486 3.781 20 0 GHADLP O[C@@]1(C[NH+]2CCC(c3ccc(F)cc3F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252936131 1039274697 /nfs/dbraw/zinc/27/46/97/1039274697.db2.gz GIDJWGBAUZHVKE-HSZRJFAPSA-N 2 2 386.486 3.781 20 0 GHADLP COc1cc(C[NH+]2CCC(COc3cccnc3)CC2)ccc1-n1cc[nH+]c1 ZINC001234032167 1039773313 /nfs/dbraw/zinc/77/33/13/1039773313.db2.gz HMFVGNZAISKGRV-UHFFFAOYSA-N 2 2 378.476 3.567 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@H](C[NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CCC2 ZINC001462418929 1070240277 /nfs/dbraw/zinc/24/02/77/1070240277.db2.gz WUMXUEIWPRCVJR-KRWDZBQOSA-N 2 2 381.501 3.930 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001254190116 1040038353 /nfs/dbraw/zinc/03/83/53/1040038353.db2.gz LOEDUVIPAZDFLP-IBGZPJMESA-N 2 2 388.556 3.677 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001254194410 1040043564 /nfs/dbraw/zinc/04/35/64/1040043564.db2.gz TWJGIJZLBGXQBQ-LJQANCHMSA-N 2 2 391.531 3.865 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254297558 1040148529 /nfs/dbraw/zinc/14/85/29/1040148529.db2.gz OMDZDTDNTNBGEA-GUDVDZBRSA-N 2 2 388.556 3.948 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1ccc3onc(C)c3c1)CC2 ZINC001235025308 1040518413 /nfs/dbraw/zinc/51/84/13/1040518413.db2.gz ZHUUCXLHOMQSBP-UHFFFAOYSA-N 2 2 377.488 3.782 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1ccc3onc(C)c3c1)CC2 ZINC001235025308 1040518431 /nfs/dbraw/zinc/51/84/31/1040518431.db2.gz ZHUUCXLHOMQSBP-UHFFFAOYSA-N 2 2 377.488 3.782 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001254758986 1040520530 /nfs/dbraw/zinc/52/05/30/1040520530.db2.gz ZXZGGFAQNAUOFT-GOSISDBHSA-N 2 2 382.508 3.752 20 0 GHADLP C[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)C2(CCCC2)C1 ZINC001235033060 1040524247 /nfs/dbraw/zinc/52/42/47/1040524247.db2.gz AHPQIGNPOFMMHM-UHFFFAOYSA-N 2 2 389.341 3.695 20 0 GHADLP C[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)C2(CCCC2)C1 ZINC001235033060 1040524262 /nfs/dbraw/zinc/52/42/62/1040524262.db2.gz AHPQIGNPOFMMHM-UHFFFAOYSA-N 2 2 389.341 3.695 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254789131 1040548448 /nfs/dbraw/zinc/54/84/48/1040548448.db2.gz OBAKHHZFJMQFMD-ROUUACIJSA-N 2 2 387.524 3.633 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254789131 1040548467 /nfs/dbraw/zinc/54/84/67/1040548467.db2.gz OBAKHHZFJMQFMD-ROUUACIJSA-N 2 2 387.524 3.633 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@@H+]2[C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254854586 1040598361 /nfs/dbraw/zinc/59/83/61/1040598361.db2.gz FUGCVXKALOIWBA-UGKGYDQZSA-N 2 2 377.573 3.726 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+]2[C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254854586 1040598375 /nfs/dbraw/zinc/59/83/75/1040598375.db2.gz FUGCVXKALOIWBA-UGKGYDQZSA-N 2 2 377.573 3.726 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254856548 1040601188 /nfs/dbraw/zinc/60/11/88/1040601188.db2.gz VLVNZJCXBQFMNI-DENIHFKCSA-N 2 2 377.573 3.584 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254856548 1040601194 /nfs/dbraw/zinc/60/11/94/1040601194.db2.gz VLVNZJCXBQFMNI-DENIHFKCSA-N 2 2 377.573 3.584 20 0 GHADLP FC(F)(F)c1ccc(-c2ccc(C[N@@H+]3CCC[C@]4(C[NH2+]CCO4)C3)cc2)nc1 ZINC001235116256 1040605269 /nfs/dbraw/zinc/60/52/69/1040605269.db2.gz UPOTUEIWLXXQCT-FQEVSTJZSA-N 2 2 391.437 3.722 20 0 GHADLP FC(F)(F)c1ccc(-c2ccc(C[N@H+]3CCC[C@]4(C[NH2+]CCO4)C3)cc2)nc1 ZINC001235116256 1040605283 /nfs/dbraw/zinc/60/52/83/1040605283.db2.gz UPOTUEIWLXXQCT-FQEVSTJZSA-N 2 2 391.437 3.722 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@@H+]3CCCC34CC[NH2+]CC4)c2n1 ZINC001235143342 1040640542 /nfs/dbraw/zinc/64/05/42/1040640542.db2.gz BKWZVADYQFKXTI-UHFFFAOYSA-N 2 2 390.325 3.724 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@H+]3CCCC34CC[NH2+]CC4)c2n1 ZINC001235143342 1040640552 /nfs/dbraw/zinc/64/05/52/1040640552.db2.gz BKWZVADYQFKXTI-UHFFFAOYSA-N 2 2 390.325 3.724 20 0 GHADLP Clc1ccc(Cn2cc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c3ccccc32)cn1 ZINC001235184139 1040675450 /nfs/dbraw/zinc/67/54/50/1040675450.db2.gz HBWOVSMVFHGYHI-MSOLQXFVSA-N 2 2 380.923 3.779 20 0 GHADLP Clc1ccc(Cn2cc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c3ccccc32)cn1 ZINC001235184139 1040675454 /nfs/dbraw/zinc/67/54/54/1040675454.db2.gz HBWOVSMVFHGYHI-MSOLQXFVSA-N 2 2 380.923 3.779 20 0 GHADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(-c3ccc(OC(F)(F)F)cc3)n1)C2 ZINC001235248194 1040730545 /nfs/dbraw/zinc/73/05/45/1040730545.db2.gz PGECPVFSBJIQQH-DNVCBOLYSA-N 2 2 377.410 3.960 20 0 GHADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(-c3ccc(OC(F)(F)F)cc3)n1)C2 ZINC001235248194 1040730561 /nfs/dbraw/zinc/73/05/61/1040730561.db2.gz PGECPVFSBJIQQH-DNVCBOLYSA-N 2 2 377.410 3.960 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2cc(OC4CCC4)ncn2)C3)cc1 ZINC001255133321 1040830964 /nfs/dbraw/zinc/83/09/64/1040830964.db2.gz RSGAMGWNHRKTDG-ZKTXZKFHSA-N 2 2 378.520 3.693 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2cc(OC4CCC4)ncn2)C3)cc1 ZINC001255133321 1040830978 /nfs/dbraw/zinc/83/09/78/1040830978.db2.gz RSGAMGWNHRKTDG-ZKTXZKFHSA-N 2 2 378.520 3.693 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccnc(OCC4CC4)n2)C3)cc1 ZINC001255133514 1040832112 /nfs/dbraw/zinc/83/21/12/1040832112.db2.gz UBXKJSUZSKMQMH-DKUWSORSSA-N 2 2 378.520 3.551 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccnc(OCC4CC4)n2)C3)cc1 ZINC001255133514 1040832122 /nfs/dbraw/zinc/83/21/22/1040832122.db2.gz UBXKJSUZSKMQMH-DKUWSORSSA-N 2 2 378.520 3.551 20 0 GHADLP COc1cc(Cl)c(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(OC)c1 ZINC001235355867 1040833728 /nfs/dbraw/zinc/83/37/28/1040833728.db2.gz URGIKYSMVYHPRL-DENIHFKCSA-N 2 2 386.923 3.936 20 0 GHADLP COc1cc(Cl)c(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(OC)c1 ZINC001235355867 1040833744 /nfs/dbraw/zinc/83/37/44/1040833744.db2.gz URGIKYSMVYHPRL-DENIHFKCSA-N 2 2 386.923 3.936 20 0 GHADLP FC(F)(F)COc1ccc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cn1 ZINC001235356522 1040837459 /nfs/dbraw/zinc/83/74/59/1040837459.db2.gz ZCVGYVFDLLLKOW-UYAOXDASSA-N 2 2 391.437 3.602 20 0 GHADLP FC(F)(F)COc1ccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cn1 ZINC001235356522 1040837480 /nfs/dbraw/zinc/83/74/80/1040837480.db2.gz ZCVGYVFDLLLKOW-UYAOXDASSA-N 2 2 391.437 3.602 20 0 GHADLP Clc1cc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc2c1OCO2 ZINC001235365554 1040855518 /nfs/dbraw/zinc/85/55/18/1040855518.db2.gz OCNNDEOWEVPGKA-GCJKJVERSA-N 2 2 384.907 3.822 20 0 GHADLP Clc1cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc2c1OCO2 ZINC001235365554 1040855536 /nfs/dbraw/zinc/85/55/36/1040855536.db2.gz OCNNDEOWEVPGKA-GCJKJVERSA-N 2 2 384.907 3.822 20 0 GHADLP Cc1ccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)nc1 ZINC001255145703 1040859146 /nfs/dbraw/zinc/85/91/46/1040859146.db2.gz SKDPIVOGWHRLPN-JKHIJQBDSA-N 2 2 376.548 3.708 20 0 GHADLP Cc1ccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)nc1 ZINC001255145703 1040859158 /nfs/dbraw/zinc/85/91/58/1040859158.db2.gz SKDPIVOGWHRLPN-JKHIJQBDSA-N 2 2 376.548 3.708 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC[NH+]1CCC(Cc3ccccc3)CC1)C2 ZINC001255180821 1040888593 /nfs/dbraw/zinc/88/85/93/1040888593.db2.gz KGCVSIRQCJICLZ-NUNAXRQHSA-N 2 2 399.579 3.683 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC001235384150 1040904503 /nfs/dbraw/zinc/90/45/03/1040904503.db2.gz RGHCDFKFTNISFJ-NFBKMPQASA-N 2 2 398.934 3.880 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC001235384150 1040904505 /nfs/dbraw/zinc/90/45/05/1040904505.db2.gz RGHCDFKFTNISFJ-NFBKMPQASA-N 2 2 398.934 3.880 20 0 GHADLP CCOc1cc(O)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001235398721 1040912138 /nfs/dbraw/zinc/91/21/38/1040912138.db2.gz TZOKOTMZBMFWQY-WUMKDDEVSA-N 2 2 395.547 3.918 20 0 GHADLP CCOc1cc(O)cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001235398721 1040912149 /nfs/dbraw/zinc/91/21/49/1040912149.db2.gz TZOKOTMZBMFWQY-WUMKDDEVSA-N 2 2 395.547 3.918 20 0 GHADLP CCOc1cc(O)cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001235398721 1040912154 /nfs/dbraw/zinc/91/21/54/1040912154.db2.gz TZOKOTMZBMFWQY-WUMKDDEVSA-N 2 2 395.547 3.918 20 0 GHADLP CCOc1cc(O)cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001235398721 1040912158 /nfs/dbraw/zinc/91/21/58/1040912158.db2.gz TZOKOTMZBMFWQY-WUMKDDEVSA-N 2 2 395.547 3.918 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)ccc1OCc1ccccc1 ZINC001235407781 1040918704 /nfs/dbraw/zinc/91/87/04/1040918704.db2.gz TZWYBFDKIDSVFG-DHIUTWEWSA-N 2 2 384.495 3.798 20 0 GHADLP COc1cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)ccc1OCc1ccccc1 ZINC001235407781 1040918705 /nfs/dbraw/zinc/91/87/05/1040918705.db2.gz TZWYBFDKIDSVFG-DHIUTWEWSA-N 2 2 384.495 3.798 20 0 GHADLP CCOC(=O)C1CCC([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)CC1 ZINC001255253095 1040927853 /nfs/dbraw/zinc/92/78/53/1040927853.db2.gz BWHFEIOZIRQJRS-UHFFFAOYSA-N 2 2 376.516 3.810 20 0 GHADLP CCCOc1cc(F)ccc1C[N@@H+]1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001235558186 1040986698 /nfs/dbraw/zinc/98/66/98/1040986698.db2.gz GRLZCIWMANDUBX-UHFFFAOYSA-N 2 2 386.515 3.859 20 0 GHADLP CCCOc1cc(F)ccc1C[N@H+]1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001235558186 1040986699 /nfs/dbraw/zinc/98/66/99/1040986699.db2.gz GRLZCIWMANDUBX-UHFFFAOYSA-N 2 2 386.515 3.859 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001255401190 1040987638 /nfs/dbraw/zinc/98/76/38/1040987638.db2.gz ROTPEPDGLWUEKG-JWQCQUIFSA-N 3 2 399.623 3.864 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001255401190 1040987639 /nfs/dbraw/zinc/98/76/39/1040987639.db2.gz ROTPEPDGLWUEKG-JWQCQUIFSA-N 3 2 399.623 3.864 20 0 GHADLP COc1cc(N(C2CC[NH2+]CC2)[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)cc[nH+]1 ZINC001255409727 1040997612 /nfs/dbraw/zinc/99/76/12/1040997612.db2.gz LLYZZJVRYJVRNP-OAQYLSRUSA-N 3 2 394.563 3.703 20 0 GHADLP COc1cc(N(C2CC[NH2+]CC2)[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc[nH+]1 ZINC001255409727 1040997618 /nfs/dbraw/zinc/99/76/18/1040997618.db2.gz LLYZZJVRYJVRNP-OAQYLSRUSA-N 3 2 394.563 3.703 20 0 GHADLP COc1cc(F)c(C)cc1C[N@@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235648169 1041089255 /nfs/dbraw/zinc/08/92/55/1041089255.db2.gz GKUBHNUGTUIJBE-UHFFFAOYSA-N 2 2 386.515 3.777 20 0 GHADLP COc1cc(F)c(C)cc1C[N@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235648169 1041089265 /nfs/dbraw/zinc/08/92/65/1041089265.db2.gz GKUBHNUGTUIJBE-UHFFFAOYSA-N 2 2 386.515 3.777 20 0 GHADLP Oc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC(F)(F)F ZINC001235671687 1041129506 /nfs/dbraw/zinc/12/95/06/1041129506.db2.gz XEEXPJZDOBVGGI-ROUUACIJSA-N 2 2 392.421 3.855 20 0 GHADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001255592275 1041151095 /nfs/dbraw/zinc/15/10/95/1041151095.db2.gz FRLXZRPRIIZDJS-HXUWFJFHSA-N 2 2 391.531 3.698 20 0 GHADLP CC[N@H+](Cc1cc(Br)c(Br)s1)C1CC[NH2+]CC1 ZINC001235762377 1041251991 /nfs/dbraw/zinc/25/19/91/1041251991.db2.gz STAWGQCSSIVGMF-UHFFFAOYSA-N 2 2 382.165 3.847 20 0 GHADLP CC[N@@H+](Cc1cc(Br)c(Br)s1)C1CC[NH2+]CC1 ZINC001235762377 1041252003 /nfs/dbraw/zinc/25/20/03/1041252003.db2.gz STAWGQCSSIVGMF-UHFFFAOYSA-N 2 2 382.165 3.847 20 0 GHADLP Cc1ccc(SC[C@H](C)[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001255761724 1041277758 /nfs/dbraw/zinc/27/77/58/1041277758.db2.gz CJWILIXMSSKQFW-TYPHKJRUSA-N 2 2 384.593 3.663 20 0 GHADLP Cc1ccc(SC[C@H](C)[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001255761724 1041277770 /nfs/dbraw/zinc/27/77/70/1041277770.db2.gz CJWILIXMSSKQFW-TYPHKJRUSA-N 2 2 384.593 3.663 20 0 GHADLP Cc1ccc(SC[C@H](C)[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001255761724 1041277784 /nfs/dbraw/zinc/27/77/84/1041277784.db2.gz CJWILIXMSSKQFW-TYPHKJRUSA-N 2 2 384.593 3.663 20 0 GHADLP Cc1ccc(SC[C@H](C)[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001255761724 1041277798 /nfs/dbraw/zinc/27/77/98/1041277798.db2.gz CJWILIXMSSKQFW-TYPHKJRUSA-N 2 2 384.593 3.663 20 0 GHADLP COCCC[N@H+](Cc1c[nH]c2ccc(Br)cc12)[C@@H]1CCC[NH2+]C1 ZINC001235809488 1041320264 /nfs/dbraw/zinc/32/02/64/1041320264.db2.gz YJGFHXDWKJHLSX-MRXNPFEDSA-N 2 2 380.330 3.521 20 0 GHADLP COCCC[N@@H+](Cc1c[nH]c2ccc(Br)cc12)[C@@H]1CCC[NH2+]C1 ZINC001235809488 1041320280 /nfs/dbraw/zinc/32/02/80/1041320280.db2.gz YJGFHXDWKJHLSX-MRXNPFEDSA-N 2 2 380.330 3.521 20 0 GHADLP CC1([NH+]2CCN(Cc3cccc(Oc4ccc(F)cc4)c3)CC2)CC[NH2+]CC1 ZINC001235821791 1041339268 /nfs/dbraw/zinc/33/92/68/1041339268.db2.gz LODXIXTZACUUOT-UHFFFAOYSA-N 2 2 383.511 3.878 20 0 GHADLP [NH3+]C1(Cc2ccc(C(F)(F)F)cc2)CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256072006 1041507420 /nfs/dbraw/zinc/50/74/20/1041507420.db2.gz UXQDLSUIUQLSQI-UHFFFAOYSA-N 3 2 381.486 3.668 20 0 GHADLP O=C(c1ccc(Cl)cc1)N1CCC[N@H+](CCC[NH2+]C2CCCCC2)CC1 ZINC001236110619 1041541640 /nfs/dbraw/zinc/54/16/40/1041541640.db2.gz CUPOQWHDQBERGR-UHFFFAOYSA-N 2 2 377.960 3.800 20 0 GHADLP O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](CCC[NH2+]C2CCCCC2)CC1 ZINC001236110619 1041541691 /nfs/dbraw/zinc/54/16/91/1041541691.db2.gz CUPOQWHDQBERGR-UHFFFAOYSA-N 2 2 377.960 3.800 20 0 GHADLP COc1cccc(C[C@@H](C)[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC001256162665 1041601632 /nfs/dbraw/zinc/60/16/32/1041601632.db2.gz XKXUPWQCXDBGKC-LJQANCHMSA-N 2 2 384.520 3.586 20 0 GHADLP COc1cccc(C[C@@H](C)[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC001256162665 1041601665 /nfs/dbraw/zinc/60/16/65/1041601665.db2.gz XKXUPWQCXDBGKC-LJQANCHMSA-N 2 2 384.520 3.586 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236215113 1041625446 /nfs/dbraw/zinc/62/54/46/1041625446.db2.gz HJYQGPGAIGRATP-NHCUHLMSSA-N 2 2 382.504 3.754 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236215113 1041625449 /nfs/dbraw/zinc/62/54/49/1041625449.db2.gz HJYQGPGAIGRATP-NHCUHLMSSA-N 2 2 382.504 3.754 20 0 GHADLP C[NH+]1CCC([NH+]2CCC3(CC2)c2ccccc2N(Cc2ccccc2)C3=O)CC1 ZINC001256203864 1041646194 /nfs/dbraw/zinc/64/61/94/1041646194.db2.gz OBAWRJIMHNBQJL-UHFFFAOYSA-N 2 2 389.543 3.661 20 0 GHADLP FC(F)(F)COc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)cn1 ZINC001236300930 1041664811 /nfs/dbraw/zinc/66/48/11/1041664811.db2.gz QPACORWAJJUKRO-UHFFFAOYSA-N 2 2 379.426 3.777 20 0 GHADLP FC(F)(F)COc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)cn1 ZINC001236300930 1041664821 /nfs/dbraw/zinc/66/48/21/1041664821.db2.gz QPACORWAJJUKRO-UHFFFAOYSA-N 2 2 379.426 3.777 20 0 GHADLP CC(C)(C)C[N@H+](Cc1n[nH]c2ccc(Br)cc21)C1CC[NH2+]CC1 ZINC001236458216 1041721522 /nfs/dbraw/zinc/72/15/22/1041721522.db2.gz SYZIXSIQJUTIBW-UHFFFAOYSA-N 2 2 379.346 3.926 20 0 GHADLP CC(C)(C)C[N@@H+](Cc1n[nH]c2ccc(Br)cc21)C1CC[NH2+]CC1 ZINC001236458216 1041721524 /nfs/dbraw/zinc/72/15/24/1041721524.db2.gz SYZIXSIQJUTIBW-UHFFFAOYSA-N 2 2 379.346 3.926 20 0 GHADLP CCOCC[N@H+](Cc1ccc(OC)cc1OCc1ccccc1)C1CC[NH2+]CC1 ZINC001236461065 1041723275 /nfs/dbraw/zinc/72/32/75/1041723275.db2.gz KVSLBTHYIGKKPQ-UHFFFAOYSA-N 2 2 398.547 3.865 20 0 GHADLP CCOCC[N@@H+](Cc1ccc(OC)cc1OCc1ccccc1)C1CC[NH2+]CC1 ZINC001236461065 1041723282 /nfs/dbraw/zinc/72/32/82/1041723282.db2.gz KVSLBTHYIGKKPQ-UHFFFAOYSA-N 2 2 398.547 3.865 20 0 GHADLP COC(=O)c1cccc(C[N@H+](Cc2cc(C)cc(OC)c2)C2CC[NH2+]CC2)c1 ZINC001236465238 1041727430 /nfs/dbraw/zinc/72/74/30/1041727430.db2.gz RFOMXBNZHATKGA-UHFFFAOYSA-N 2 2 382.504 3.544 20 0 GHADLP COC(=O)c1cccc(C[N@@H+](Cc2cc(C)cc(OC)c2)C2CC[NH2+]CC2)c1 ZINC001236465238 1041727434 /nfs/dbraw/zinc/72/74/34/1041727434.db2.gz RFOMXBNZHATKGA-UHFFFAOYSA-N 2 2 382.504 3.544 20 0 GHADLP COc1ccc(C[N@H+](Cc2c[nH]c(=O)c3ccccc23)C2CC[NH2+]CC2)cc1F ZINC001236518847 1041751470 /nfs/dbraw/zinc/75/14/70/1041751470.db2.gz WNMKIGBFUGTMJM-UHFFFAOYSA-N 2 2 395.478 3.842 20 0 GHADLP COc1ccc(C[N@@H+](Cc2c[nH]c(=O)c3ccccc23)C2CC[NH2+]CC2)cc1F ZINC001236518847 1041751478 /nfs/dbraw/zinc/75/14/78/1041751478.db2.gz WNMKIGBFUGTMJM-UHFFFAOYSA-N 2 2 395.478 3.842 20 0 GHADLP COc1ccc(C[N@H+](Cc2cc(Cl)ncc2O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545227 1041757302 /nfs/dbraw/zinc/75/73/02/1041757302.db2.gz LEEUBGFZRQWYJK-QAQDUYKDSA-N 2 2 375.900 3.721 20 0 GHADLP COc1ccc(C[N@@H+](Cc2cc(Cl)ncc2O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545227 1041757309 /nfs/dbraw/zinc/75/73/09/1041757309.db2.gz LEEUBGFZRQWYJK-QAQDUYKDSA-N 2 2 375.900 3.721 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4nc5ccccc5cc4Cl)C[C@H]3C2)cn1 ZINC001236869301 1041935002 /nfs/dbraw/zinc/93/50/02/1041935002.db2.gz CDVLWMSWCHNUNN-RTBURBONSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4nc5ccccc5cc4Cl)C[C@H]3C2)cn1 ZINC001236869301 1041935005 /nfs/dbraw/zinc/93/50/05/1041935005.db2.gz CDVLWMSWCHNUNN-RTBURBONSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4nc5ccccc5cc4Cl)C[C@H]3C2)cn1 ZINC001236869301 1041935006 /nfs/dbraw/zinc/93/50/06/1041935006.db2.gz CDVLWMSWCHNUNN-RTBURBONSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4nc5ccccc5cc4Cl)C[C@H]3C2)cn1 ZINC001236869301 1041935008 /nfs/dbraw/zinc/93/50/08/1041935008.db2.gz CDVLWMSWCHNUNN-RTBURBONSA-N 2 2 395.938 3.576 20 0 GHADLP COC[C@H]1COCCC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)CC2 ZINC001236903174 1041947866 /nfs/dbraw/zinc/94/78/66/1041947866.db2.gz FXVHLOLPONVRCS-SFHVURJKSA-N 2 2 389.927 3.791 20 0 GHADLP CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236904206 1041948420 /nfs/dbraw/zinc/94/84/20/1041948420.db2.gz SNUYVTVKGAWUOZ-FXAWDEMLSA-N 2 2 375.900 3.686 20 0 GHADLP CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236904206 1041948425 /nfs/dbraw/zinc/94/84/25/1041948425.db2.gz SNUYVTVKGAWUOZ-FXAWDEMLSA-N 2 2 375.900 3.686 20 0 GHADLP C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236909103 1041951768 /nfs/dbraw/zinc/95/17/68/1041951768.db2.gz UVOBJNKOIYSXNW-UHFFFAOYSA-N 2 2 378.904 3.872 20 0 GHADLP C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236909103 1041951769 /nfs/dbraw/zinc/95/17/69/1041951769.db2.gz UVOBJNKOIYSXNW-UHFFFAOYSA-N 2 2 378.904 3.872 20 0 GHADLP COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236916529 1041957171 /nfs/dbraw/zinc/95/71/71/1041957171.db2.gz FJCCTTJJWWQRFM-UWJYYQICSA-N 2 2 389.927 3.933 20 0 GHADLP COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236916529 1041957178 /nfs/dbraw/zinc/95/71/78/1041957178.db2.gz FJCCTTJJWWQRFM-UWJYYQICSA-N 2 2 389.927 3.933 20 0 GHADLP FC1CC[NH+](C2CCN(Cc3ccc(-n4cc[nH+]c4)cc3Cl)CC2)CC1 ZINC001236918224 1041958122 /nfs/dbraw/zinc/95/81/22/1041958122.db2.gz ZCZDGMLJUMFMKV-UHFFFAOYSA-N 2 2 376.907 3.924 20 0 GHADLP COc1ccnc(O[C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)c1 ZINC001236926257 1041961259 /nfs/dbraw/zinc/96/12/59/1041961259.db2.gz DFVYOGGUUWEYNJ-SFHVURJKSA-N 2 2 384.867 3.583 20 0 GHADLP COc1ccnc(O[C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)c1 ZINC001236926257 1041961261 /nfs/dbraw/zinc/96/12/61/1041961261.db2.gz DFVYOGGUUWEYNJ-SFHVURJKSA-N 2 2 384.867 3.583 20 0 GHADLP COCCC[N@H+](Cc1ccc(N(C)c2ccc(OC)cc2)cc1)[C@H]1CC[NH2+]C1 ZINC001236946844 1041967458 /nfs/dbraw/zinc/96/74/58/1041967458.db2.gz MVEBYGIMGAQTLS-QFIPXVFZSA-N 2 2 383.536 3.664 20 0 GHADLP COCCC[N@@H+](Cc1ccc(N(C)c2ccc(OC)cc2)cc1)[C@H]1CC[NH2+]C1 ZINC001236946844 1041967460 /nfs/dbraw/zinc/96/74/60/1041967460.db2.gz MVEBYGIMGAQTLS-QFIPXVFZSA-N 2 2 383.536 3.664 20 0 GHADLP Clc1ccc2c(c1)[C@@H]1C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC[C@H]1N2 ZINC001237233830 1042099130 /nfs/dbraw/zinc/09/91/30/1042099130.db2.gz LROXPMYDJCQJNV-JTHBVZDNSA-N 2 2 397.950 3.956 20 0 GHADLP Clc1ccc2c(c1)[C@@H]1C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC[C@H]1N2 ZINC001237233830 1042099133 /nfs/dbraw/zinc/09/91/33/1042099133.db2.gz LROXPMYDJCQJNV-JTHBVZDNSA-N 2 2 397.950 3.956 20 0 GHADLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccc(-c4cccs4)n3)C2)C1 ZINC001238209217 1042519689 /nfs/dbraw/zinc/51/96/89/1042519689.db2.gz LFSRVNUPFQYWFL-AUSIDOKSSA-N 2 2 397.588 3.990 20 0 GHADLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccc(-c4cccs4)n3)C2)C1 ZINC001238209217 1042519696 /nfs/dbraw/zinc/51/96/96/1042519696.db2.gz LFSRVNUPFQYWFL-AUSIDOKSSA-N 2 2 397.588 3.990 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cccc(-c4cccs4)n3)C2)C1 ZINC001238209217 1042519703 /nfs/dbraw/zinc/51/97/03/1042519703.db2.gz LFSRVNUPFQYWFL-AUSIDOKSSA-N 2 2 397.588 3.990 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cccc(-c4cccs4)n3)C2)C1 ZINC001238209217 1042519708 /nfs/dbraw/zinc/51/97/08/1042519708.db2.gz LFSRVNUPFQYWFL-AUSIDOKSSA-N 2 2 397.588 3.990 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)ncc1Cl ZINC001238419988 1042590257 /nfs/dbraw/zinc/59/02/57/1042590257.db2.gz PCTISANNFKKLOG-UHFFFAOYSA-N 2 2 375.900 3.503 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)ncc1Cl ZINC001238419988 1042590262 /nfs/dbraw/zinc/59/02/62/1042590262.db2.gz PCTISANNFKKLOG-UHFFFAOYSA-N 2 2 375.900 3.503 20 0 GHADLP CSc1ccc(Cl)cc1C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001238669502 1042678087 /nfs/dbraw/zinc/67/80/87/1042678087.db2.gz HEORHESAGWXVEN-AEFFLSMTSA-N 2 2 390.984 3.749 20 0 GHADLP CSc1ccc(Cl)cc1C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001238669502 1042678089 /nfs/dbraw/zinc/67/80/89/1042678089.db2.gz HEORHESAGWXVEN-AEFFLSMTSA-N 2 2 390.984 3.749 20 0 GHADLP CSc1ccc(Cl)cc1C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001238669502 1042678094 /nfs/dbraw/zinc/67/80/94/1042678094.db2.gz HEORHESAGWXVEN-AEFFLSMTSA-N 2 2 390.984 3.749 20 0 GHADLP CSc1ccc(Cl)cc1C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001238669502 1042678096 /nfs/dbraw/zinc/67/80/96/1042678096.db2.gz HEORHESAGWXVEN-AEFFLSMTSA-N 2 2 390.984 3.749 20 0 GHADLP CC1CCN(C(=O)c2cccc(-c3ccccc3C[N@@H+]3CC[C@H]([NH3+])C3)c2)CC1 ZINC001240109871 1042891902 /nfs/dbraw/zinc/89/19/02/1042891902.db2.gz JWSGUDNSFFSURI-QFIPXVFZSA-N 2 2 377.532 3.759 20 0 GHADLP CC1CCN(C(=O)c2cccc(-c3ccccc3C[N@H+]3CC[C@H]([NH3+])C3)c2)CC1 ZINC001240109871 1042891906 /nfs/dbraw/zinc/89/19/06/1042891906.db2.gz JWSGUDNSFFSURI-QFIPXVFZSA-N 2 2 377.532 3.759 20 0 GHADLP CC1CCN(C(=O)c2cccc(-c3ccc(C[N@@H+]4CC[C@@H]([NH3+])C4)cc3)c2)CC1 ZINC001240110666 1042892556 /nfs/dbraw/zinc/89/25/56/1042892556.db2.gz XYOQWVKAZGUOCD-HSZRJFAPSA-N 2 2 377.532 3.759 20 0 GHADLP CC1CCN(C(=O)c2cccc(-c3ccc(C[N@H+]4CC[C@@H]([NH3+])C4)cc3)c2)CC1 ZINC001240110666 1042892561 /nfs/dbraw/zinc/89/25/61/1042892561.db2.gz XYOQWVKAZGUOCD-HSZRJFAPSA-N 2 2 377.532 3.759 20 0 GHADLP Cc1noc([C@H]2C[C@@H]3CC[NH+]([C@H]4CC[N@H+](Cc5ccccc5)[C@H](C)C4)C[C@H]3O2)n1 ZINC001256544682 1043498767 /nfs/dbraw/zinc/49/87/67/1043498767.db2.gz NNWYXEWKZCOYJR-WIXLDOGYSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@H]2C[C@@H]3CC[NH+]([C@H]4CC[N@@H+](Cc5ccccc5)[C@H](C)C4)C[C@H]3O2)n1 ZINC001256544682 1043498777 /nfs/dbraw/zinc/49/87/77/1043498777.db2.gz NNWYXEWKZCOYJR-WIXLDOGYSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@H]2C[C@@H]3CC[N@@H+]([C@H]4CC[NH+](Cc5ccccc5)[C@H](C)C4)C[C@H]3O2)n1 ZINC001256544682 1043498781 /nfs/dbraw/zinc/49/87/81/1043498781.db2.gz NNWYXEWKZCOYJR-WIXLDOGYSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@H]2C[C@@H]3CC[N@H+]([C@H]4CC[NH+](Cc5ccccc5)[C@H](C)C4)C[C@H]3O2)n1 ZINC001256544682 1043498793 /nfs/dbraw/zinc/49/87/93/1043498793.db2.gz NNWYXEWKZCOYJR-WIXLDOGYSA-N 2 2 396.535 3.583 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CC(CN(C)C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256544208 1043499633 /nfs/dbraw/zinc/49/96/33/1043499633.db2.gz XQJDFLWSJJVMOY-GHTZIAJQSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CC(CN(C)C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256544208 1043499653 /nfs/dbraw/zinc/49/96/53/1043499653.db2.gz XQJDFLWSJJVMOY-GHTZIAJQSA-N 2 2 387.568 3.838 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256552750 1043518564 /nfs/dbraw/zinc/51/85/64/1043518564.db2.gz CQTSIYCPZQMGEH-ILWGZMRPSA-N 2 2 395.547 3.987 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256552750 1043518574 /nfs/dbraw/zinc/51/85/74/1043518574.db2.gz CQTSIYCPZQMGEH-ILWGZMRPSA-N 2 2 395.547 3.987 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256552750 1043518584 /nfs/dbraw/zinc/51/85/84/1043518584.db2.gz CQTSIYCPZQMGEH-ILWGZMRPSA-N 2 2 395.547 3.987 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256552750 1043518593 /nfs/dbraw/zinc/51/85/93/1043518593.db2.gz CQTSIYCPZQMGEH-ILWGZMRPSA-N 2 2 395.547 3.987 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C3CC[NH+](C(C)(C)C)CC3)C[C@H]21 ZINC001256571042 1043544616 /nfs/dbraw/zinc/54/46/16/1043544616.db2.gz AVOJVQJRKSTGTH-WWPVKYPJSA-N 3 2 384.612 3.877 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C3CC[NH+](C(C)(C)C)CC3)C[C@H]21 ZINC001256571042 1043544626 /nfs/dbraw/zinc/54/46/26/1043544626.db2.gz AVOJVQJRKSTGTH-WWPVKYPJSA-N 3 2 384.612 3.877 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@H]21 ZINC001256571042 1043544635 /nfs/dbraw/zinc/54/46/35/1043544635.db2.gz AVOJVQJRKSTGTH-WWPVKYPJSA-N 3 2 384.612 3.877 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@H]21 ZINC001256571042 1043544644 /nfs/dbraw/zinc/54/46/44/1043544644.db2.gz AVOJVQJRKSTGTH-WWPVKYPJSA-N 3 2 384.612 3.877 20 0 GHADLP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@H]21 ZINC001256571042 1043544656 /nfs/dbraw/zinc/54/46/56/1043544656.db2.gz AVOJVQJRKSTGTH-WWPVKYPJSA-N 2 2 384.612 3.877 20 0 GHADLP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@H]21 ZINC001256571042 1043544662 /nfs/dbraw/zinc/54/46/62/1043544662.db2.gz AVOJVQJRKSTGTH-WWPVKYPJSA-N 2 2 384.612 3.877 20 0 GHADLP COc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCc4c(cccc4OC)C3)CC2)c1 ZINC001256638894 1043586907 /nfs/dbraw/zinc/58/69/07/1043586907.db2.gz FZLRPHZPIQVANE-OAQYLSRUSA-N 2 2 380.532 3.815 20 0 GHADLP COc1cccc2c1CC[C@@H]([NH+]1CCC3(CC1)C[N@H+](Cc1ccoc1)CCO3)C2 ZINC001256648981 1043593730 /nfs/dbraw/zinc/59/37/30/1043593730.db2.gz NULOYWBVULIRRZ-OAQYLSRUSA-N 2 2 396.531 3.513 20 0 GHADLP COc1cccc2c1CC[C@@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccoc1)CCO3)C2 ZINC001256648981 1043593738 /nfs/dbraw/zinc/59/37/38/1043593738.db2.gz NULOYWBVULIRRZ-OAQYLSRUSA-N 2 2 396.531 3.513 20 0 GHADLP [NH3+]C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Br)cc1 ZINC001256798648 1043657970 /nfs/dbraw/zinc/65/79/70/1043657970.db2.gz JUYLCHGRGATIKW-CEXWTWQISA-N 2 2 375.310 3.959 20 0 GHADLP CC(C)[C@H]([NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001256911044 1043737248 /nfs/dbraw/zinc/73/72/48/1043737248.db2.gz IBQKTRZYGUHNDI-QUCCMNQESA-N 2 2 379.589 3.875 20 0 GHADLP CC(C)[C@H]([NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001256911044 1043737257 /nfs/dbraw/zinc/73/72/57/1043737257.db2.gz IBQKTRZYGUHNDI-QUCCMNQESA-N 2 2 379.589 3.875 20 0 GHADLP CC[C@H]1C[C@@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001257108465 1043853184 /nfs/dbraw/zinc/85/31/84/1043853184.db2.gz IRWWVEXFQKCHHV-SFTDATJTSA-N 2 2 387.568 3.886 20 0 GHADLP CC(C)[C@H]1C[C@@H]([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257187930 1043926546 /nfs/dbraw/zinc/92/65/46/1043926546.db2.gz SLPSWKFMOXETRK-PCCBWWKXSA-N 2 2 387.568 3.796 20 0 GHADLP CC(C)[C@H]1C[C@@H]([N@H+]2Cc3ccccc3C[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257187930 1043926552 /nfs/dbraw/zinc/92/65/52/1043926552.db2.gz SLPSWKFMOXETRK-PCCBWWKXSA-N 2 2 387.568 3.796 20 0 GHADLP CC(C)[NH+]1CCC([NH2+]Cc2cncn2Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001257211196 1043938010 /nfs/dbraw/zinc/93/80/10/1043938010.db2.gz BKHLLQGDFHUBKG-UHFFFAOYSA-N 2 2 380.458 3.913 20 0 GHADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001257492275 1044019435 /nfs/dbraw/zinc/01/94/35/1044019435.db2.gz PRHUSHHBMIAZMW-CKRJSAQMSA-N 2 2 384.564 3.864 20 0 GHADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001257492275 1044019448 /nfs/dbraw/zinc/01/94/48/1044019448.db2.gz PRHUSHHBMIAZMW-CKRJSAQMSA-N 2 2 384.564 3.864 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001257655019 1044102554 /nfs/dbraw/zinc/10/25/54/1044102554.db2.gz LETJBJOKHIKNRK-KSZLIROESA-N 2 2 375.513 3.631 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001257655019 1044102562 /nfs/dbraw/zinc/10/25/62/1044102562.db2.gz LETJBJOKHIKNRK-KSZLIROESA-N 2 2 375.513 3.631 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC2(CCC([NH2+]CCCn3cc[nH+]c3)CC2)C1 ZINC001257767610 1044156908 /nfs/dbraw/zinc/15/69/08/1044156908.db2.gz VQBLXCGPXPKZHB-UHFFFAOYSA-N 2 2 376.545 3.823 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)C2 ZINC001257808069 1044190685 /nfs/dbraw/zinc/19/06/85/1044190685.db2.gz VVKHDGAPVWMYMM-NPPFBWRTSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)C2 ZINC001257808069 1044190690 /nfs/dbraw/zinc/19/06/90/1044190690.db2.gz VVKHDGAPVWMYMM-NPPFBWRTSA-N 2 2 377.573 3.773 20 0 GHADLP COc1cccc(C[NH+]2CCC([NH2+][C@@H]3COc4ccc(Cl)cc4C3)CC2)c1 ZINC001257953999 1044270206 /nfs/dbraw/zinc/27/02/06/1044270206.db2.gz USTFGWAJVCYHKS-FQEVSTJZSA-N 2 2 386.923 3.906 20 0 GHADLP c1cnn(Cc2c[nH+]c3n2CC[N@H+](C2CCC(c4ccccc4)CC2)CC3)c1 ZINC001257997436 1044324058 /nfs/dbraw/zinc/32/40/58/1044324058.db2.gz CVTFXIDUUSEYMJ-UHFFFAOYSA-N 2 2 375.520 3.712 20 0 GHADLP c1cnn(Cc2c[nH+]c3n2CC[N@@H+](C2CCC(c4ccccc4)CC2)CC3)c1 ZINC001257997436 1044324074 /nfs/dbraw/zinc/32/40/74/1044324074.db2.gz CVTFXIDUUSEYMJ-UHFFFAOYSA-N 2 2 375.520 3.712 20 0 GHADLP COc1cc(Cl)c(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c(Cl)c1 ZINC001279092548 1044519950 /nfs/dbraw/zinc/51/99/50/1044519950.db2.gz DXGZBUNDGPLTTQ-UHFFFAOYSA-N 2 2 395.334 3.823 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001258388799 1044531043 /nfs/dbraw/zinc/53/10/43/1044531043.db2.gz LKVIJSVEHGIEAN-FQEVSTJZSA-N 2 2 398.547 3.517 20 0 GHADLP [NH3+]C[C@H]([NH2+]C1CCN(c2cccc(F)c2)CC1)c1ccc(Br)cc1 ZINC001258413518 1044547808 /nfs/dbraw/zinc/54/78/08/1044547808.db2.gz IXRMICFBDYMFGN-IBGZPJMESA-N 2 2 392.316 3.847 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001258418865 1044552170 /nfs/dbraw/zinc/55/21/70/1044552170.db2.gz IQWCLYDDGAZSKA-DNQXCXABSA-N 2 2 397.538 3.674 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001258418865 1044552188 /nfs/dbraw/zinc/55/21/88/1044552188.db2.gz IQWCLYDDGAZSKA-DNQXCXABSA-N 2 2 397.538 3.674 20 0 GHADLP CCCC1CCC([NH+]2CCC([NH+]3CCC(N4CC[NH+](C)CC4)CC3)CC2)CC1 ZINC001258534964 1044612404 /nfs/dbraw/zinc/61/24/04/1044612404.db2.gz XUAHIQKKTCGINP-UHFFFAOYSA-N 3 2 390.660 3.522 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCN(c3ccc4oc(C(=O)OCC)cc4c3)CC2)CC1 ZINC001258776220 1044759227 /nfs/dbraw/zinc/75/92/27/1044759227.db2.gz YVQOLCANNWXQHU-UHFFFAOYSA-N 2 2 399.535 3.606 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000482111423 1045207835 /nfs/dbraw/zinc/20/78/35/1045207835.db2.gz RIYGGTJCULPSGP-PKOBYXMFSA-N 3 2 384.568 3.787 20 0 GHADLP Cc1ccc(C)c(OC2CC[NH+](C[C@H](O)C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000590126518 1047210572 /nfs/dbraw/zinc/21/05/72/1047210572.db2.gz LMZBDIDALYFMIU-JOCHJYFZSA-N 2 2 382.548 3.640 20 0 GHADLP Cc1ccc(C)c(OC2CC[NH+](C[C@H](O)C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000590126518 1047210578 /nfs/dbraw/zinc/21/05/78/1047210578.db2.gz LMZBDIDALYFMIU-JOCHJYFZSA-N 2 2 382.548 3.640 20 0 GHADLP O=c1cccc(C[NH+]2CC3(C2)CC[NH+](Cc2ccc(F)c(Cl)c2)CC3)[nH]1 ZINC001279225523 1047744474 /nfs/dbraw/zinc/74/44/74/1047744474.db2.gz MPTOTZAKIODASC-UHFFFAOYSA-N 2 2 375.875 3.678 20 0 GHADLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1nc3c(s1)CCCC3)CC2 ZINC001279289328 1047757266 /nfs/dbraw/zinc/75/72/66/1047757266.db2.gz IZYDFHZEABDNEN-UHFFFAOYSA-N 2 2 388.606 3.885 20 0 GHADLP O=c1cccc(C[NH+]2CC3(C2)CC[NH+](Cc2ccc(F)cc2Cl)CC3)[nH]1 ZINC001279333017 1047770913 /nfs/dbraw/zinc/77/09/13/1047770913.db2.gz LIDMQCNKQSLISF-UHFFFAOYSA-N 2 2 375.875 3.678 20 0 GHADLP Cc1cc(Br)cnc1C[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001279461153 1047816365 /nfs/dbraw/zinc/81/63/65/1047816365.db2.gz HODDHNRTCKOSMM-UHFFFAOYSA-N 2 2 389.341 3.579 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H](Nc3cc(C)[nH+]c(C4CCC4)n3)C2)cc(OC)c1 ZINC001306994336 1048997232 /nfs/dbraw/zinc/99/72/32/1048997232.db2.gz ADNWBRRRFGJVOZ-GOSISDBHSA-N 2 2 382.508 3.756 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H](Nc3cc(C)[nH+]c(C4CCC4)n3)C2)cc(OC)c1 ZINC001306994336 1048997241 /nfs/dbraw/zinc/99/72/41/1048997241.db2.gz ADNWBRRRFGJVOZ-GOSISDBHSA-N 2 2 382.508 3.756 20 0 GHADLP CNC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001307583829 1049424014 /nfs/dbraw/zinc/42/40/14/1049424014.db2.gz QTGIBUINHYWNNO-DHIUTWEWSA-N 2 2 379.548 3.503 20 0 GHADLP CNC(=O)[C@H]1CCCC[N@H+]1C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001307583829 1049424020 /nfs/dbraw/zinc/42/40/20/1049424020.db2.gz QTGIBUINHYWNNO-DHIUTWEWSA-N 2 2 379.548 3.503 20 0 GHADLP CNC(=O)[C@H]1CCCC[NH+]1C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307583829 1049424025 /nfs/dbraw/zinc/42/40/25/1049424025.db2.gz QTGIBUINHYWNNO-DHIUTWEWSA-N 2 2 379.548 3.503 20 0 GHADLP CNC(=O)[C@H]1CCCC[NH+]1C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307583829 1049424032 /nfs/dbraw/zinc/42/40/32/1049424032.db2.gz QTGIBUINHYWNNO-DHIUTWEWSA-N 2 2 379.548 3.503 20 0 GHADLP COC(=O)c1ccc(F)c(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001307658804 1049483790 /nfs/dbraw/zinc/48/37/90/1049483790.db2.gz LRMVTBTYDATYQH-YPGOJHLTSA-N 2 2 384.495 3.859 20 0 GHADLP COC(=O)c1ccc(F)c(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001307658804 1049483792 /nfs/dbraw/zinc/48/37/92/1049483792.db2.gz LRMVTBTYDATYQH-YPGOJHLTSA-N 2 2 384.495 3.859 20 0 GHADLP COC[C@@H](C)Oc1ccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)cc1 ZINC001308199402 1049910686 /nfs/dbraw/zinc/91/06/86/1049910686.db2.gz SDGQMIJMTCQZHK-GOSISDBHSA-N 2 2 378.582 3.552 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(F)c1 ZINC001308282970 1049936400 /nfs/dbraw/zinc/93/64/00/1049936400.db2.gz PPVYQCUBVJDMLW-APWZRJJASA-N 2 2 376.497 3.847 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(F)c1 ZINC001308282970 1049936402 /nfs/dbraw/zinc/93/64/02/1049936402.db2.gz PPVYQCUBVJDMLW-APWZRJJASA-N 2 2 376.497 3.847 20 0 GHADLP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC001308344464 1049953937 /nfs/dbraw/zinc/95/39/37/1049953937.db2.gz KREGROBGJLCHMV-JOCHJYFZSA-N 2 2 377.488 3.588 20 0 GHADLP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC001308344464 1049953939 /nfs/dbraw/zinc/95/39/39/1049953939.db2.gz KREGROBGJLCHMV-JOCHJYFZSA-N 2 2 377.488 3.588 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001308346681 1049954546 /nfs/dbraw/zinc/95/45/46/1049954546.db2.gz JTVKHLARJOKRCI-JOCHJYFZSA-N 3 2 378.564 3.941 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001308346681 1049954548 /nfs/dbraw/zinc/95/45/48/1049954548.db2.gz JTVKHLARJOKRCI-JOCHJYFZSA-N 3 2 378.564 3.941 20 0 GHADLP O[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(OC(F)(F)F)cc1 ZINC001308403953 1049968272 /nfs/dbraw/zinc/96/82/72/1049968272.db2.gz KXAPARRTHPTWJH-INIZCTEOSA-N 2 2 383.395 3.656 20 0 GHADLP Cc1ccc(C[C@H](C)[N@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001308574261 1050015185 /nfs/dbraw/zinc/01/51/85/1050015185.db2.gz QZLBPAWKQMZPLF-NRFANRHFSA-N 2 2 382.548 3.769 20 0 GHADLP Cc1ccc(C[C@H](C)[N@@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001308574261 1050015191 /nfs/dbraw/zinc/01/51/91/1050015191.db2.gz QZLBPAWKQMZPLF-NRFANRHFSA-N 2 2 382.548 3.769 20 0 GHADLP CCOC(=O)N1CCC(C)(C[NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC001308709062 1050067080 /nfs/dbraw/zinc/06/70/80/1050067080.db2.gz KUFLGHHHCJPVHS-NRFANRHFSA-N 2 2 387.568 3.745 20 0 GHADLP CCOC(=O)N1CCC(C)(C[NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC001308709062 1050067088 /nfs/dbraw/zinc/06/70/88/1050067088.db2.gz KUFLGHHHCJPVHS-NRFANRHFSA-N 2 2 387.568 3.745 20 0 GHADLP CC[NH+](CC)CCOC(=O)c1cccc(NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC001308760242 1050085701 /nfs/dbraw/zinc/08/57/01/1050085701.db2.gz QUVHSVBZOBTFHG-UHFFFAOYSA-N 2 2 385.508 3.818 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)Cc3ccnn3C3CCC3)cc2)C[C@H](C)O1 ZINC001308914814 1050164760 /nfs/dbraw/zinc/16/47/60/1050164760.db2.gz IIRUFGUZBFLOBD-KDURUIRLSA-N 2 2 382.552 3.849 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3ccnn3C3CCC3)cc2)C[C@H](C)O1 ZINC001308914814 1050164765 /nfs/dbraw/zinc/16/47/65/1050164765.db2.gz IIRUFGUZBFLOBD-KDURUIRLSA-N 2 2 382.552 3.849 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3ccnn3C3CCC3)cc2)C[C@H](C)O1 ZINC001308914814 1050164770 /nfs/dbraw/zinc/16/47/70/1050164770.db2.gz IIRUFGUZBFLOBD-KDURUIRLSA-N 2 2 382.552 3.849 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3ccnn3C3CCC3)cc2)C[C@H](C)O1 ZINC001308914814 1050164776 /nfs/dbraw/zinc/16/47/76/1050164776.db2.gz IIRUFGUZBFLOBD-KDURUIRLSA-N 2 2 382.552 3.849 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C[C@@H]1C ZINC001308919842 1050169335 /nfs/dbraw/zinc/16/93/35/1050169335.db2.gz SXXCKFZVEWNMQU-HVJHZFLKSA-N 2 2 385.552 3.751 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]c2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C[C@@H]1C ZINC001308919842 1050169343 /nfs/dbraw/zinc/16/93/43/1050169343.db2.gz SXXCKFZVEWNMQU-HVJHZFLKSA-N 2 2 385.552 3.751 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1nc(Br)cs1 ZINC001330716425 1051081539 /nfs/dbraw/zinc/08/15/39/1051081539.db2.gz XRPHPRWTGSNLNR-CYBMUJFWSA-N 2 2 395.370 3.508 20 0 GHADLP CC(C)c1ccc(C2(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CCC2)cc1 ZINC001318230744 1054514067 /nfs/dbraw/zinc/51/40/67/1054514067.db2.gz XTDODNKVFIGIBD-UHFFFAOYSA-N 2 2 397.607 3.907 20 0 GHADLP CC1(C)CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC(C)(C)[NH2+]1 ZINC001345843063 1055290956 /nfs/dbraw/zinc/29/09/56/1055290956.db2.gz UPOFBQOKNQAZJM-UHFFFAOYSA-N 2 2 393.535 3.986 20 0 GHADLP Cn1cc([C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c2ccccc2)cn1 ZINC001320091720 1055649869 /nfs/dbraw/zinc/64/98/69/1055649869.db2.gz KZIHDRALXFCAJK-DEOSSOPVSA-N 2 2 389.547 3.834 20 0 GHADLP c1ccc(NC2CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC001322435003 1056702734 /nfs/dbraw/zinc/70/27/34/1056702734.db2.gz VPKJRFUPJXPGIM-UHFFFAOYSA-N 2 2 378.564 3.775 20 0 GHADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(Br)c1OC ZINC000848575374 1057189080 /nfs/dbraw/zinc/18/90/80/1057189080.db2.gz PKWXUPQNUFGZBA-HOTGVXAUSA-N 2 2 383.330 3.573 20 0 GHADLP COc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc(Br)c1OC ZINC000848575374 1057189083 /nfs/dbraw/zinc/18/90/83/1057189083.db2.gz PKWXUPQNUFGZBA-HOTGVXAUSA-N 2 2 383.330 3.573 20 0 GHADLP COc1cccc(OC)c1OCCCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001325344733 1057316107 /nfs/dbraw/zinc/31/61/07/1057316107.db2.gz HIMDAHQFRXHBSN-GOSISDBHSA-N 2 2 387.524 3.551 20 0 GHADLP COc1cccc(OC)c1OCCCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001325344733 1057316114 /nfs/dbraw/zinc/31/61/14/1057316114.db2.gz HIMDAHQFRXHBSN-GOSISDBHSA-N 2 2 387.524 3.551 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC001326036419 1057399517 /nfs/dbraw/zinc/39/95/17/1057399517.db2.gz FSUWJRFBAXFWSA-GOTSBHOMSA-N 2 2 383.511 3.886 20 0 GHADLP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001440709969 1058592333 /nfs/dbraw/zinc/59/23/33/1058592333.db2.gz ZXKAWQFHXWVXAB-DHIUTWEWSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001440709969 1058592355 /nfs/dbraw/zinc/59/23/55/1058592355.db2.gz ZXKAWQFHXWVXAB-DHIUTWEWSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001440709969 1058592377 /nfs/dbraw/zinc/59/23/77/1058592377.db2.gz ZXKAWQFHXWVXAB-DHIUTWEWSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001440709969 1058592398 /nfs/dbraw/zinc/59/23/98/1058592398.db2.gz ZXKAWQFHXWVXAB-DHIUTWEWSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001440709971 1058593001 /nfs/dbraw/zinc/59/30/01/1058593001.db2.gz ZXKAWQFHXWVXAB-GOTSBHOMSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001440709971 1058593012 /nfs/dbraw/zinc/59/30/12/1058593012.db2.gz ZXKAWQFHXWVXAB-GOTSBHOMSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001440709971 1058593022 /nfs/dbraw/zinc/59/30/22/1058593022.db2.gz ZXKAWQFHXWVXAB-GOTSBHOMSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001440709971 1058593041 /nfs/dbraw/zinc/59/30/41/1058593041.db2.gz ZXKAWQFHXWVXAB-GOTSBHOMSA-N 2 2 395.522 3.571 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)ccn12 ZINC001440742695 1058604305 /nfs/dbraw/zinc/60/43/05/1058604305.db2.gz SOTOYYZXHBFCRT-IBGZPJMESA-N 2 2 382.895 3.863 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001446804495 1059863999 /nfs/dbraw/zinc/86/39/99/1059863999.db2.gz YBCFATGICUABTC-GOSISDBHSA-N 2 2 398.378 3.947 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001446804495 1059864025 /nfs/dbraw/zinc/86/40/25/1059864025.db2.gz YBCFATGICUABTC-GOSISDBHSA-N 2 2 398.378 3.947 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)C1 ZINC001342079602 1061044328 /nfs/dbraw/zinc/04/43/28/1061044328.db2.gz KVENAHPYTCCKAD-MJGOQNOKSA-N 2 2 394.519 3.660 20 0 GHADLP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001453170454 1061088087 /nfs/dbraw/zinc/08/80/87/1061088087.db2.gz OEESYTFEGCXSQB-RTBURBONSA-N 2 2 388.943 3.927 20 0 GHADLP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001453170454 1061088096 /nfs/dbraw/zinc/08/80/96/1061088096.db2.gz OEESYTFEGCXSQB-RTBURBONSA-N 2 2 388.943 3.927 20 0 GHADLP C[NH+](C)C1(C)CCC(NC(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CC1 ZINC001346330112 1061519907 /nfs/dbraw/zinc/51/99/07/1061519907.db2.gz KNBFEFCXBRIXPF-PDDLGQBUSA-N 2 2 389.588 3.790 20 0 GHADLP C[NH+](C)CCCN(C(=O)CCc1[nH]cc[nH+]1)C(c1ccccc1)c1ccccc1 ZINC001464781460 1065207993 /nfs/dbraw/zinc/20/79/93/1065207993.db2.gz QFTJOJOOAIUDOO-UHFFFAOYSA-N 2 2 390.531 3.912 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1NC1CCCCC1 ZINC001464867659 1065251895 /nfs/dbraw/zinc/25/18/95/1065251895.db2.gz CHTMWBNDUGNSRV-UHFFFAOYSA-N 2 2 386.584 3.529 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1NC1CCCCC1 ZINC001464867659 1065251908 /nfs/dbraw/zinc/25/19/08/1065251908.db2.gz CHTMWBNDUGNSRV-UHFFFAOYSA-N 2 2 386.584 3.529 20 0 GHADLP C[C@H](CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC001357800075 1067278229 /nfs/dbraw/zinc/27/82/29/1067278229.db2.gz ZZJUQJJJUQDFNG-IIBYNOLFSA-N 2 2 385.939 3.506 20 0 GHADLP C[C@H](CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC001357800075 1067278240 /nfs/dbraw/zinc/27/82/40/1067278240.db2.gz ZZJUQJJJUQDFNG-IIBYNOLFSA-N 2 2 385.939 3.506 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC001467715804 1067435115 /nfs/dbraw/zinc/43/51/15/1067435115.db2.gz FUDZNTQECFNRRH-OAQYLSRUSA-N 2 2 392.563 3.723 20 0 GHADLP C[C@H](C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001468323655 1067684885 /nfs/dbraw/zinc/68/48/85/1067684885.db2.gz CBERZWZPAFCXRN-FGTMMUONSA-N 2 2 378.520 3.844 20 0 GHADLP C[C@H](C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001468323655 1067684892 /nfs/dbraw/zinc/68/48/92/1067684892.db2.gz CBERZWZPAFCXRN-FGTMMUONSA-N 2 2 378.520 3.844 20 0 GHADLP c1ccc(C[N@@H+]2CCC[NH+](Cc3ccc4cnccc4c3)CCOCC2)cc1 ZINC001460831373 1069207056 /nfs/dbraw/zinc/20/70/56/1069207056.db2.gz AHQNKWXBZWFZFU-UHFFFAOYSA-N 2 2 375.516 3.959 20 0 GHADLP c1ccc(C[N@H+]2CCC[NH+](Cc3ccc4cnccc4c3)CCOCC2)cc1 ZINC001460831373 1069207065 /nfs/dbraw/zinc/20/70/65/1069207065.db2.gz AHQNKWXBZWFZFU-UHFFFAOYSA-N 2 2 375.516 3.959 20 0 GHADLP c1ccc(C[NH+]2CCC[N@H+](Cc3ccc4cnccc4c3)CCOCC2)cc1 ZINC001460831373 1069207079 /nfs/dbraw/zinc/20/70/79/1069207079.db2.gz AHQNKWXBZWFZFU-UHFFFAOYSA-N 2 2 375.516 3.959 20 0 GHADLP c1ccc(C[NH+]2CCC[N@@H+](Cc3ccc4cnccc4c3)CCOCC2)cc1 ZINC001460831373 1069207093 /nfs/dbraw/zinc/20/70/93/1069207093.db2.gz AHQNKWXBZWFZFU-UHFFFAOYSA-N 2 2 375.516 3.959 20 0 GHADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(CC2CCCCC2)CC1 ZINC001460860859 1069231069 /nfs/dbraw/zinc/23/10/69/1069231069.db2.gz VIZOICWGJMATMK-FQEVSTJZSA-N 2 2 398.595 3.801 20 0 GHADLP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001471236842 1072978826 /nfs/dbraw/zinc/97/88/26/1072978826.db2.gz XBNKHLXXUAPXIW-FCHUYYIVSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001471236842 1072978829 /nfs/dbraw/zinc/97/88/29/1072978829.db2.gz XBNKHLXXUAPXIW-FCHUYYIVSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001471236842 1072978835 /nfs/dbraw/zinc/97/88/35/1072978835.db2.gz XBNKHLXXUAPXIW-FCHUYYIVSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001471236842 1072978838 /nfs/dbraw/zinc/97/88/38/1072978838.db2.gz XBNKHLXXUAPXIW-FCHUYYIVSA-N 2 2 387.543 3.703 20 0 GHADLP CNc1cc(CNC(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)cc[nH+]1 ZINC001471605871 1073156786 /nfs/dbraw/zinc/15/67/86/1073156786.db2.gz UVMUFGSFOSJHQX-XLIONFOSSA-N 2 2 383.540 3.688 20 0 GHADLP Cc1[nH]c([C@@H]2CCCN2C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)[nH+]c1C ZINC001471860261 1073235363 /nfs/dbraw/zinc/23/53/63/1073235363.db2.gz XSPOGHFADAQXFD-NRFANRHFSA-N 2 2 395.551 3.534 20 0 GHADLP CC(C)(C)SCCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001473130869 1073795914 /nfs/dbraw/zinc/79/59/14/1073795914.db2.gz HTUMRFYHVPEXEO-FQEVSTJZSA-N 2 2 390.641 3.837 20 0 GHADLP CC(C)(C)SCCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001473130869 1073795920 /nfs/dbraw/zinc/79/59/20/1073795920.db2.gz HTUMRFYHVPEXEO-FQEVSTJZSA-N 2 2 390.641 3.837 20 0 GHADLP CCc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC001473131492 1073795982 /nfs/dbraw/zinc/79/59/82/1073795982.db2.gz DFGZFNMLARSSQC-XMMPIXPASA-N 2 2 392.591 3.721 20 0 GHADLP CCc1ccc(CC[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC001473131492 1073795986 /nfs/dbraw/zinc/79/59/86/1073795986.db2.gz DFGZFNMLARSSQC-XMMPIXPASA-N 2 2 392.591 3.721 20 0 GHADLP CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001473195684 1073848264 /nfs/dbraw/zinc/84/82/64/1073848264.db2.gz ZTSILZVDOVNKSI-JOCHJYFZSA-N 2 2 399.604 3.654 20 0 GHADLP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001473195684 1073848277 /nfs/dbraw/zinc/84/82/77/1073848277.db2.gz ZTSILZVDOVNKSI-JOCHJYFZSA-N 2 2 399.604 3.654 20 0 GHADLP Fc1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1OC(F)F ZINC001473301748 1073912905 /nfs/dbraw/zinc/91/29/05/1073912905.db2.gz BSOKYMOECQEJLI-UHFFFAOYSA-N 2 2 386.458 3.752 20 0 GHADLP c1c(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)nnn1Cc1ccccc1 ZINC001473997298 1074230393 /nfs/dbraw/zinc/23/03/93/1074230393.db2.gz VENYTYIRNPLNPU-UHFFFAOYSA-N 2 2 389.547 3.992 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@]3(C)OCCc4ccccc43)CC2)cc1 ZINC001474247438 1074308992 /nfs/dbraw/zinc/30/89/92/1074308992.db2.gz CVQXCBRRZMSJAA-DEOSSOPVSA-N 2 2 379.548 3.799 20 0 GHADLP CCOC(=O)COc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC001474501130 1074434536 /nfs/dbraw/zinc/43/45/36/1074434536.db2.gz QSTGSWLZYFQDBY-UHFFFAOYSA-N 2 2 385.508 3.517 20 0 GHADLP CN(C)c1c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccc(F)c1F ZINC001474712745 1074529548 /nfs/dbraw/zinc/52/95/48/1074529548.db2.gz IHCSGMNVFZFFRL-QUCCMNQESA-N 2 2 385.502 3.985 20 0 GHADLP CN(C)c1c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccc(F)c1F ZINC001474712745 1074529559 /nfs/dbraw/zinc/52/95/59/1074529559.db2.gz IHCSGMNVFZFFRL-QUCCMNQESA-N 2 2 385.502 3.985 20 0 GHADLP CN(C)c1c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccc(F)c1F ZINC001474712745 1074529568 /nfs/dbraw/zinc/52/95/68/1074529568.db2.gz IHCSGMNVFZFFRL-QUCCMNQESA-N 2 2 385.502 3.985 20 0 GHADLP CN(C)c1c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc(F)c1F ZINC001474712745 1074529578 /nfs/dbraw/zinc/52/95/78/1074529578.db2.gz IHCSGMNVFZFFRL-QUCCMNQESA-N 2 2 385.502 3.985 20 0 GHADLP Fc1ccc(N2CC[C@H](C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)C2)cc1F ZINC000359893087 206266898 /nfs/dbraw/zinc/26/68/98/206266898.db2.gz CXDFIWUZGGNYCW-CQSZACIVSA-N 2 2 391.428 3.798 20 0 GHADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000826304661 608369817 /nfs/dbraw/zinc/36/98/17/608369817.db2.gz TVQNLAFTRWGHAS-ZACQAIPSSA-N 2 2 391.523 3.565 20 0 GHADLP c1ccc(C2([NH2+]C3CC[NH+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)CCC2)cc1 ZINC000826520638 609184433 /nfs/dbraw/zinc/18/44/33/609184433.db2.gz OSRCOPMURZOJFH-UHFFFAOYSA-N 2 2 388.519 3.500 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545281 609338362 /nfs/dbraw/zinc/33/83/62/609338362.db2.gz BVPVORLIIMECHJ-TXPKVOOTSA-N 2 2 394.498 3.710 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545281 609338364 /nfs/dbraw/zinc/33/83/64/609338364.db2.gz BVPVORLIIMECHJ-TXPKVOOTSA-N 2 2 394.498 3.710 20 0 GHADLP Cc1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c2c([nH+]1)CCC2 ZINC001164839598 720704637 /nfs/dbraw/zinc/70/46/37/720704637.db2.gz MBUIWLLUGITHDD-HXUWFJFHSA-N 2 2 392.547 3.534 20 0 GHADLP Cc1nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c2c([nH+]1)CCC2 ZINC001164839598 720704638 /nfs/dbraw/zinc/70/46/38/720704638.db2.gz MBUIWLLUGITHDD-HXUWFJFHSA-N 2 2 392.547 3.534 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000162749450 837410510 /nfs/dbraw/zinc/41/05/10/837410510.db2.gz ISIJFPHGNLYEAI-UHFFFAOYSA-N 3 2 380.580 3.833 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000162749450 837410517 /nfs/dbraw/zinc/41/05/17/837410517.db2.gz ISIJFPHGNLYEAI-UHFFFAOYSA-N 3 2 380.580 3.833 20 0 GHADLP CCSc1ccc(Cl)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000173091683 837549930 /nfs/dbraw/zinc/54/99/30/837549930.db2.gz ABVDMNLPGLNBOH-UHFFFAOYSA-N 2 2 399.004 3.942 20 0 GHADLP CCSc1ccc(Cl)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000173091683 837549934 /nfs/dbraw/zinc/54/99/34/837549934.db2.gz ABVDMNLPGLNBOH-UHFFFAOYSA-N 2 2 399.004 3.942 20 0 GHADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)nn1 ZINC000414389653 837595747 /nfs/dbraw/zinc/59/57/47/837595747.db2.gz GPAYKDIIAXIGAO-QFBILLFUSA-N 2 2 378.442 3.977 20 0 GHADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)nn1 ZINC000414389653 837595755 /nfs/dbraw/zinc/59/57/55/837595755.db2.gz GPAYKDIIAXIGAO-QFBILLFUSA-N 2 2 378.442 3.977 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccc(C)cc2)cc1 ZINC000655703841 837693708 /nfs/dbraw/zinc/69/37/08/837693708.db2.gz WNKKDNUFKFVAMO-ISKFKSNPSA-N 2 2 380.532 3.936 20 0 GHADLP COc1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccc(F)cc2)cc1 ZINC000655703419 837698858 /nfs/dbraw/zinc/69/88/58/837698858.db2.gz PWJIOVKOCJBZHG-GMAHTHKFSA-N 2 2 384.495 3.767 20 0 GHADLP COc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(OC2CCCC2)c1 ZINC000655719894 837715563 /nfs/dbraw/zinc/71/55/63/837715563.db2.gz WQFCDIXXPCWKMP-QFIPXVFZSA-N 2 2 388.552 3.750 20 0 GHADLP Cc1ccc(C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccn2)cc1 ZINC000655716353 837724085 /nfs/dbraw/zinc/72/40/85/837724085.db2.gz SOQCXXXSZBDDJY-UPVQGACJSA-N 2 2 379.548 3.907 20 0 GHADLP CN(C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683097165 834458774 /nfs/dbraw/zinc/45/87/74/834458774.db2.gz DMBJDVMEOBBEKE-XJUOHMSHSA-N 2 2 398.595 3.523 20 0 GHADLP CN(C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683097165 834458778 /nfs/dbraw/zinc/45/87/78/834458778.db2.gz DMBJDVMEOBBEKE-XJUOHMSHSA-N 2 2 398.595 3.523 20 0 GHADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173600412 837778529 /nfs/dbraw/zinc/77/85/29/837778529.db2.gz WEJDWGQFNBBZFS-QRVBRYPASA-N 2 2 375.582 3.608 20 0 GHADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173600412 837778533 /nfs/dbraw/zinc/77/85/33/837778533.db2.gz WEJDWGQFNBBZFS-QRVBRYPASA-N 2 2 375.582 3.608 20 0 GHADLP Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683116099 834523594 /nfs/dbraw/zinc/52/35/94/834523594.db2.gz NTYZZMDJPBUGTI-SFHLNBCPSA-N 2 2 383.580 3.603 20 0 GHADLP Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683116099 834523601 /nfs/dbraw/zinc/52/36/01/834523601.db2.gz NTYZZMDJPBUGTI-SFHLNBCPSA-N 2 2 383.580 3.603 20 0 GHADLP C[C@@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@@H+]1CCC[C@H](C)C1 ZINC000536082427 834729756 /nfs/dbraw/zinc/72/97/56/834729756.db2.gz OPXTVJYECJVUGY-ROUUACIJSA-N 2 2 393.535 3.844 20 0 GHADLP C[C@@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@H+]1CCC[C@H](C)C1 ZINC000536082427 834729765 /nfs/dbraw/zinc/72/97/65/834729765.db2.gz OPXTVJYECJVUGY-ROUUACIJSA-N 2 2 393.535 3.844 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC000431572777 834940189 /nfs/dbraw/zinc/94/01/89/834940189.db2.gz XYDWTTIIJKXEMT-QHCPKHFHSA-N 2 2 390.531 3.673 20 0 GHADLP CN(c1ccccc1C[N@H+](C)Cc1nc2ccccc2n1C)C1CC[NH+](C)CC1 ZINC000093364003 835100734 /nfs/dbraw/zinc/10/07/34/835100734.db2.gz IWYYMVMDZIXMIX-UHFFFAOYSA-N 2 2 391.563 3.736 20 0 GHADLP CN(c1ccccc1C[N@@H+](C)Cc1nc2ccccc2n1C)C1CC[NH+](C)CC1 ZINC000093364003 835100741 /nfs/dbraw/zinc/10/07/41/835100741.db2.gz IWYYMVMDZIXMIX-UHFFFAOYSA-N 2 2 391.563 3.736 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CCCn2cc(Br)cn2)C[N@H+](Cc2ccccc2)C1 ZINC000583839844 835124117 /nfs/dbraw/zinc/12/41/17/835124117.db2.gz ZYBZYFRWIIOYSQ-APWZRJJASA-N 2 2 391.357 3.536 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CCCn2cc(Br)cn2)C[N@@H+](Cc2ccccc2)C1 ZINC000583839844 835124122 /nfs/dbraw/zinc/12/41/22/835124122.db2.gz ZYBZYFRWIIOYSQ-APWZRJJASA-N 2 2 391.357 3.536 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000685652101 835263993 /nfs/dbraw/zinc/26/39/93/835263993.db2.gz IXHIMWPNHMGORX-SESVDKBCSA-N 2 2 389.503 3.757 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000685652101 835263998 /nfs/dbraw/zinc/26/39/98/835263998.db2.gz IXHIMWPNHMGORX-SESVDKBCSA-N 2 2 389.503 3.757 20 0 GHADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000683229905 835325287 /nfs/dbraw/zinc/32/52/87/835325287.db2.gz ZTZYWNJCJFPYGU-ISKFKSNPSA-N 2 2 380.532 3.953 20 0 GHADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000683229905 835325294 /nfs/dbraw/zinc/32/52/94/835325294.db2.gz ZTZYWNJCJFPYGU-ISKFKSNPSA-N 2 2 380.532 3.953 20 0 GHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000683229912 835325894 /nfs/dbraw/zinc/32/58/94/835325894.db2.gz ZTZYWNJCJFPYGU-VWNXMTODSA-N 2 2 380.532 3.953 20 0 GHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000683229912 835325904 /nfs/dbraw/zinc/32/59/04/835325904.db2.gz ZTZYWNJCJFPYGU-VWNXMTODSA-N 2 2 380.532 3.953 20 0 GHADLP COc1ccccc1-c1ncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000430241786 835347782 /nfs/dbraw/zinc/34/77/82/835347782.db2.gz OLUJPBFCLZOLRH-NQIIRXRSSA-N 2 2 378.520 3.601 20 0 GHADLP COc1ccccc1-c1ncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000430241786 835347791 /nfs/dbraw/zinc/34/77/91/835347791.db2.gz OLUJPBFCLZOLRH-NQIIRXRSSA-N 2 2 378.520 3.601 20 0 GHADLP COc1ccccc1-c1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000430241786 835347802 /nfs/dbraw/zinc/34/78/02/835347802.db2.gz OLUJPBFCLZOLRH-NQIIRXRSSA-N 2 2 378.520 3.601 20 0 GHADLP COc1ccccc1-c1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000430241786 835347816 /nfs/dbraw/zinc/34/78/16/835347816.db2.gz OLUJPBFCLZOLRH-NQIIRXRSSA-N 2 2 378.520 3.601 20 0 GHADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635711803 835464841 /nfs/dbraw/zinc/46/48/41/835464841.db2.gz LVBKICZMWJHTCA-QGZVFWFLSA-N 2 2 380.414 3.920 20 0 GHADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)c2C1 ZINC000635716896 835509700 /nfs/dbraw/zinc/50/97/00/835509700.db2.gz HLSJBDDNFBHBSZ-QGZVFWFLSA-N 2 2 380.414 3.987 20 0 GHADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)c2C1 ZINC000635716896 835509708 /nfs/dbraw/zinc/50/97/08/835509708.db2.gz HLSJBDDNFBHBSZ-QGZVFWFLSA-N 2 2 380.414 3.987 20 0 GHADLP C[NH+]1CCC([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CC1 ZINC000012522507 835715449 /nfs/dbraw/zinc/71/54/49/835715449.db2.gz TYSVGWKCJNGLJY-UHFFFAOYSA-N 2 2 390.325 3.607 20 0 GHADLP COc1c(F)cccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001143532793 844115696 /nfs/dbraw/zinc/11/56/96/844115696.db2.gz LPURBIKEBSFSCV-RBDMOPTHSA-N 2 2 383.511 3.962 20 0 GHADLP COc1c(F)cccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001143532793 844115704 /nfs/dbraw/zinc/11/57/04/844115704.db2.gz LPURBIKEBSFSCV-RBDMOPTHSA-N 2 2 383.511 3.962 20 0 GHADLP COc1c(F)cccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001143532793 844115710 /nfs/dbraw/zinc/11/57/10/844115710.db2.gz LPURBIKEBSFSCV-RBDMOPTHSA-N 2 2 383.511 3.962 20 0 GHADLP COc1c(F)cccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001143532793 844115716 /nfs/dbraw/zinc/11/57/16/844115716.db2.gz LPURBIKEBSFSCV-RBDMOPTHSA-N 2 2 383.511 3.962 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2ccc(C3=CCCC3)cc2)([NH+]2CCCCC2)CC1 ZINC000685762158 836079253 /nfs/dbraw/zinc/07/92/53/836079253.db2.gz NHMPGUYBQLYZOZ-UHFFFAOYSA-N 2 2 381.564 3.934 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000548931138 836254671 /nfs/dbraw/zinc/25/46/71/836254671.db2.gz HMKWYCAZQLNPOF-LJQANCHMSA-N 2 2 387.474 3.794 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000548931138 836254682 /nfs/dbraw/zinc/25/46/82/836254682.db2.gz HMKWYCAZQLNPOF-LJQANCHMSA-N 2 2 387.474 3.794 20 0 GHADLP Fc1ccc(OCC[NH+]2CCC(Nc3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000433437301 844165799 /nfs/dbraw/zinc/16/57/99/844165799.db2.gz NUXNVAZSJLXHKW-UHFFFAOYSA-N 2 2 399.514 3.561 20 0 GHADLP Fc1ccc(OCC[NH+]2CCC(Nc3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000433437301 844165806 /nfs/dbraw/zinc/16/58/06/844165806.db2.gz NUXNVAZSJLXHKW-UHFFFAOYSA-N 2 2 399.514 3.561 20 0 GHADLP Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000647490416 836563258 /nfs/dbraw/zinc/56/32/58/836563258.db2.gz WOIQGXHTHASUMB-QGZVFWFLSA-N 2 2 380.467 3.893 20 0 GHADLP Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000647490416 836563265 /nfs/dbraw/zinc/56/32/65/836563265.db2.gz WOIQGXHTHASUMB-QGZVFWFLSA-N 2 2 380.467 3.893 20 0 GHADLP O[C@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796640 836706375 /nfs/dbraw/zinc/70/63/75/836706375.db2.gz NGENWSINFILPCS-QFIPXVFZSA-N 2 2 377.488 3.627 20 0 GHADLP C#CCOc1ccc(Br)cc1C[NH2+]C1CC[NH+](CC(=C)C)CC1 ZINC000236689569 836978813 /nfs/dbraw/zinc/97/88/13/836978813.db2.gz OBXPAPXTJKCJAZ-UHFFFAOYSA-N 2 2 377.326 3.591 20 0 GHADLP O[C@@H](CC1CCCC1)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510969697 844264983 /nfs/dbraw/zinc/26/49/83/844264983.db2.gz QUUGSIAFSSBWRV-INIZCTEOSA-N 2 2 396.329 3.682 20 0 GHADLP O[C@@H](CC1CCCC1)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510969697 844264994 /nfs/dbraw/zinc/26/49/94/844264994.db2.gz QUUGSIAFSSBWRV-INIZCTEOSA-N 2 2 396.329 3.682 20 0 GHADLP COCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655772838 837845296 /nfs/dbraw/zinc/84/52/96/837845296.db2.gz SSHWIRRJCIECBD-RTBURBONSA-N 2 2 386.458 3.626 20 0 GHADLP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCc3cc[nH+]c(N4CCCCCC4)c3)cc21 ZINC000659286893 838203479 /nfs/dbraw/zinc/20/34/79/838203479.db2.gz SGJMOHPLYRSWII-NRFANRHFSA-N 2 2 392.547 3.771 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000659316526 838283106 /nfs/dbraw/zinc/28/31/06/838283106.db2.gz DATUQUNEYAZSQK-QFBILLFUSA-N 2 2 383.561 3.646 20 0 GHADLP Cc1ccc(-c2cccnc2)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000376575926 838289606 /nfs/dbraw/zinc/28/96/06/838289606.db2.gz PCOSTXBDHGWFHL-UHFFFAOYSA-N 2 2 395.551 3.547 20 0 GHADLP Cc1ccc(-c2cccnc2)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000376575926 838289615 /nfs/dbraw/zinc/28/96/15/838289615.db2.gz PCOSTXBDHGWFHL-UHFFFAOYSA-N 2 2 395.551 3.547 20 0 GHADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000589209491 838342075 /nfs/dbraw/zinc/34/20/75/838342075.db2.gz OHGOGFUXCMANRR-CRAIPNDOSA-N 2 2 398.954 3.646 20 0 GHADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000589209491 838342085 /nfs/dbraw/zinc/34/20/85/838342085.db2.gz OHGOGFUXCMANRR-CRAIPNDOSA-N 2 2 398.954 3.646 20 0 GHADLP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000416022474 838421181 /nfs/dbraw/zinc/42/11/81/838421181.db2.gz ZBJRVJMKRAZQOP-OALUTQOASA-N 2 2 390.890 3.765 20 0 GHADLP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000416022474 838421185 /nfs/dbraw/zinc/42/11/85/838421185.db2.gz ZBJRVJMKRAZQOP-OALUTQOASA-N 2 2 390.890 3.765 20 0 GHADLP CN(C(=O)c1csc(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000188062912 838501341 /nfs/dbraw/zinc/50/13/41/838501341.db2.gz UGEPBMIAPUIABR-IRXDYDNUSA-N 2 2 383.989 3.811 20 0 GHADLP CN(C(=O)c1csc(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000188062912 838501345 /nfs/dbraw/zinc/50/13/45/838501345.db2.gz UGEPBMIAPUIABR-IRXDYDNUSA-N 2 2 383.989 3.811 20 0 GHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c2ccccc21 ZINC000580062750 838791332 /nfs/dbraw/zinc/79/13/32/838791332.db2.gz CJLUTJWRNSSJOB-IKGGRYGDSA-N 2 2 375.394 3.545 20 0 GHADLP Cc1cc(N[C@@H](C)CC[NH+]2CCN(C)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000472680157 839089300 /nfs/dbraw/zinc/08/93/00/839089300.db2.gz VFTULPFMESAZKC-AWEZNQCLSA-N 2 2 396.457 3.880 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCCc1ccccc1 ZINC000549163926 839105405 /nfs/dbraw/zinc/10/54/05/839105405.db2.gz AZNGSPKEUDFXAD-QHCPKHFHSA-N 2 2 393.575 3.626 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCCc1ccccc1 ZINC000549163926 839105410 /nfs/dbraw/zinc/10/54/10/839105410.db2.gz AZNGSPKEUDFXAD-QHCPKHFHSA-N 2 2 393.575 3.626 20 0 GHADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000580326898 839284056 /nfs/dbraw/zinc/28/40/56/839284056.db2.gz QIZPWIPSSCJKFV-LJQANCHMSA-N 2 2 380.536 3.636 20 0 GHADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000580326898 839284066 /nfs/dbraw/zinc/28/40/66/839284066.db2.gz QIZPWIPSSCJKFV-LJQANCHMSA-N 2 2 380.536 3.636 20 0 GHADLP CC(C)(C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1)c1c[nH+]c[nH]1 ZINC000683920403 839443157 /nfs/dbraw/zinc/44/31/57/839443157.db2.gz YAUVXYKTLDVFPA-UHFFFAOYSA-N 2 2 380.536 3.735 20 0 GHADLP CC(C)(C(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1)c1c[nH+]c[nH]1 ZINC000683920403 839443166 /nfs/dbraw/zinc/44/31/66/839443166.db2.gz YAUVXYKTLDVFPA-UHFFFAOYSA-N 2 2 380.536 3.735 20 0 GHADLP COC[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccc(Cl)c1 ZINC000580564456 839817230 /nfs/dbraw/zinc/81/72/30/839817230.db2.gz BIVIFUCJBCAKSP-QFIPXVFZSA-N 2 2 387.955 3.565 20 0 GHADLP COC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccc(Cl)c1 ZINC000580564456 839817235 /nfs/dbraw/zinc/81/72/35/839817235.db2.gz BIVIFUCJBCAKSP-QFIPXVFZSA-N 2 2 387.955 3.565 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000656253332 839834942 /nfs/dbraw/zinc/83/49/42/839834942.db2.gz KAMZXMHBMXVGSJ-KBXCAEBGSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000656253332 839834952 /nfs/dbraw/zinc/83/49/52/839834952.db2.gz KAMZXMHBMXVGSJ-KBXCAEBGSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000656253332 839834956 /nfs/dbraw/zinc/83/49/56/839834956.db2.gz KAMZXMHBMXVGSJ-KBXCAEBGSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000656253332 839834961 /nfs/dbraw/zinc/83/49/61/839834961.db2.gz KAMZXMHBMXVGSJ-KBXCAEBGSA-N 2 2 391.357 3.858 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1cc(F)cc2cccnc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000580648318 839954501 /nfs/dbraw/zinc/95/45/01/839954501.db2.gz GFQADLFLJAAFPV-HXUWFJFHSA-N 2 2 393.510 3.735 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1cc(F)cc2cccnc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000580648318 839954505 /nfs/dbraw/zinc/95/45/05/839954505.db2.gz GFQADLFLJAAFPV-HXUWFJFHSA-N 2 2 393.510 3.735 20 0 GHADLP CC(C)(C)[NH2+]CCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001125959724 840747766 /nfs/dbraw/zinc/74/77/66/840747766.db2.gz AWSRSVLNPDJLSD-UHFFFAOYSA-N 2 2 390.531 3.993 20 0 GHADLP Cn1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1C(F)(F)F ZINC000581142742 840787277 /nfs/dbraw/zinc/78/72/77/840787277.db2.gz CVIJONQDZOIIDA-KRWDZBQOSA-N 2 2 380.458 3.829 20 0 GHADLP Cn1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1C(F)(F)F ZINC000581142742 840787286 /nfs/dbraw/zinc/78/72/86/840787286.db2.gz CVIJONQDZOIIDA-KRWDZBQOSA-N 2 2 380.458 3.829 20 0 GHADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162396704 840787947 /nfs/dbraw/zinc/78/79/47/840787947.db2.gz AWWRQYZMDSDKMD-HXUWFJFHSA-N 2 2 395.551 3.832 20 0 GHADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162396704 840787955 /nfs/dbraw/zinc/78/79/55/840787955.db2.gz AWWRQYZMDSDKMD-HXUWFJFHSA-N 2 2 395.551 3.832 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000277039186 844581720 /nfs/dbraw/zinc/58/17/20/844581720.db2.gz OUOICJHUMNBEJB-GOSISDBHSA-N 2 2 389.544 3.543 20 0 GHADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000177568468 861197258 /nfs/dbraw/zinc/19/72/58/861197258.db2.gz CSVNUMNDBQNAQN-QGZVFWFLSA-N 2 2 381.524 3.936 20 0 GHADLP O=C(C[NH+]1CCC(c2ccco2)CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000661161906 841479713 /nfs/dbraw/zinc/47/97/13/841479713.db2.gz AIPAQSYICYDSKC-UHFFFAOYSA-N 2 2 399.560 3.647 20 0 GHADLP CCOc1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc(Cl)c1O ZINC000500130799 841496373 /nfs/dbraw/zinc/49/63/73/841496373.db2.gz AMCYUTLRHXBGNU-UHFFFAOYSA-N 2 2 390.911 3.566 20 0 GHADLP CC(C)c1[nH+]c(CN(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cncn2C)c2ccccn21 ZINC000651803512 841616190 /nfs/dbraw/zinc/61/61/90/841616190.db2.gz YNMKBBYRACLMHD-PGRDOPGGSA-N 2 2 394.567 3.706 20 0 GHADLP CC(C)c1[nH+]c(CN(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cncn2C)c2ccccn21 ZINC000651803512 841616197 /nfs/dbraw/zinc/61/61/97/841616197.db2.gz YNMKBBYRACLMHD-PGRDOPGGSA-N 2 2 394.567 3.706 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CCCc2nnc3n2CCCCC3)C[N@@H+]1Cc1ccccc1 ZINC000090184754 841720928 /nfs/dbraw/zinc/72/09/28/841720928.db2.gz MSUPWLNDUVPARC-HXUWFJFHSA-N 2 2 381.568 3.580 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CCCc2nnc3n2CCCCC3)C[N@H+]1Cc1ccccc1 ZINC000090184754 841720933 /nfs/dbraw/zinc/72/09/33/841720933.db2.gz MSUPWLNDUVPARC-HXUWFJFHSA-N 2 2 381.568 3.580 20 0 GHADLP CCC1([NH+](C)C)CC[NH+](Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000639378176 861240258 /nfs/dbraw/zinc/24/02/58/861240258.db2.gz DSXNRPSAUVGBIM-UHFFFAOYSA-N 2 2 398.551 3.555 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000511997836 842071592 /nfs/dbraw/zinc/07/15/92/842071592.db2.gz WEPNNZSOCPZNPU-INIZCTEOSA-N 2 2 398.498 3.588 20 0 GHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)ccc2Br)CCCO1 ZINC000432345151 842116132 /nfs/dbraw/zinc/11/61/32/842116132.db2.gz GWOVOKIVSJQSLZ-ZDUSSCGKSA-N 2 2 375.738 3.693 20 0 GHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)ccc2Br)CCCO1 ZINC000432345151 842116137 /nfs/dbraw/zinc/11/61/37/842116137.db2.gz GWOVOKIVSJQSLZ-ZDUSSCGKSA-N 2 2 375.738 3.693 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352447 842342330 /nfs/dbraw/zinc/34/23/30/842342330.db2.gz ZQKMODPYHKBLCS-APTRMMRNSA-N 2 2 393.531 3.826 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352447 842342340 /nfs/dbraw/zinc/34/23/40/842342340.db2.gz ZQKMODPYHKBLCS-APTRMMRNSA-N 2 2 393.531 3.826 20 0 GHADLP CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000511938635 842484836 /nfs/dbraw/zinc/48/48/36/842484836.db2.gz MGUGFVIDDBOVNQ-SJKOYZFVSA-N 2 2 398.370 3.833 20 0 GHADLP CCc1ccc([C@H](CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)[NH+](CC)CC)cc1 ZINC000432443977 842516354 /nfs/dbraw/zinc/51/63/54/842516354.db2.gz MQQFTGBJIVCQEU-RTWAWAEBSA-N 2 2 397.567 3.565 20 0 GHADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1Br ZINC000662277650 843063714 /nfs/dbraw/zinc/06/37/14/843063714.db2.gz RHEIZXPOCBMNRN-CYBMUJFWSA-N 2 2 395.263 3.868 20 0 GHADLP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000064229433 843233421 /nfs/dbraw/zinc/23/34/21/843233421.db2.gz WBHYSBSDDZBXOQ-UHFFFAOYSA-N 2 2 384.524 3.500 20 0 GHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000064229433 843233431 /nfs/dbraw/zinc/23/34/31/843233431.db2.gz WBHYSBSDDZBXOQ-UHFFFAOYSA-N 2 2 384.524 3.500 20 0 GHADLP C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512315870 843366287 /nfs/dbraw/zinc/36/62/87/843366287.db2.gz WEUGDZMDAROXBX-OAQYLSRUSA-N 2 2 388.939 3.676 20 0 GHADLP C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512315870 843366299 /nfs/dbraw/zinc/36/62/99/843366299.db2.gz WEUGDZMDAROXBX-OAQYLSRUSA-N 2 2 388.939 3.676 20 0 GHADLP Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512315379 843367428 /nfs/dbraw/zinc/36/74/28/843367428.db2.gz SRGCEBYXEMIHQN-QHCPKHFHSA-N 2 2 382.548 3.640 20 0 GHADLP Cc1cccc(C)c1OC[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512315379 843367437 /nfs/dbraw/zinc/36/74/37/843367437.db2.gz SRGCEBYXEMIHQN-QHCPKHFHSA-N 2 2 382.548 3.640 20 0 GHADLP CC(C)(C)n1cc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cn1 ZINC000500461482 843494083 /nfs/dbraw/zinc/49/40/83/843494083.db2.gz KBWMIPATJWQEMB-UHFFFAOYSA-N 2 2 389.975 3.593 20 0 GHADLP COc1ccc2c(c1)C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H](C1CCCCC1)C2 ZINC000431089564 843584522 /nfs/dbraw/zinc/58/45/22/843584522.db2.gz HCZINVWDXWNPML-IBGZPJMESA-N 2 2 384.524 3.779 20 0 GHADLP COc1ccc2c(c1)C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H](C1CCCCC1)C2 ZINC000431089564 843584527 /nfs/dbraw/zinc/58/45/27/843584527.db2.gz HCZINVWDXWNPML-IBGZPJMESA-N 2 2 384.524 3.779 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253807 843753732 /nfs/dbraw/zinc/75/37/32/843753732.db2.gz CQPBFYCZZGVFOP-MRXNPFEDSA-N 2 2 399.373 3.638 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253807 843753735 /nfs/dbraw/zinc/75/37/35/843753735.db2.gz CQPBFYCZZGVFOP-MRXNPFEDSA-N 2 2 399.373 3.638 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253807 843753741 /nfs/dbraw/zinc/75/37/41/843753741.db2.gz CQPBFYCZZGVFOP-MRXNPFEDSA-N 2 2 399.373 3.638 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253807 843753752 /nfs/dbraw/zinc/75/37/52/843753752.db2.gz CQPBFYCZZGVFOP-MRXNPFEDSA-N 2 2 399.373 3.638 20 0 GHADLP O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052003854 843841886 /nfs/dbraw/zinc/84/18/86/843841886.db2.gz RJDHRABVQCEZBL-QGZVFWFLSA-N 2 2 387.351 3.683 20 0 GHADLP C[C@@H]1C[NH+](CCC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C[C@@H](C)O1 ZINC000237405726 843938170 /nfs/dbraw/zinc/93/81/70/843938170.db2.gz CCZXHYYGUKUKHR-ZIAGYGMSSA-N 2 2 385.335 3.858 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052005478 843982641 /nfs/dbraw/zinc/98/26/41/843982641.db2.gz LGBNVPXQQSBTLU-UHFFFAOYSA-N 2 2 379.932 3.628 20 0 GHADLP O=C(Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000899671942 861482577 /nfs/dbraw/zinc/48/25/77/861482577.db2.gz JOFMDIQSBPZJNF-CQSZACIVSA-N 2 2 392.425 3.699 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000535822938 844699865 /nfs/dbraw/zinc/69/98/65/844699865.db2.gz GQZXWWANWRLDKO-YLJYHZDGSA-N 2 2 378.451 3.729 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000535822938 844699867 /nfs/dbraw/zinc/69/98/67/844699867.db2.gz GQZXWWANWRLDKO-YLJYHZDGSA-N 2 2 378.451 3.729 20 0 GHADLP CN(Cc1cc(Cl)ccc1OCC1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684619806 844835258 /nfs/dbraw/zinc/83/52/58/844835258.db2.gz PTNBXTBRNVDMED-OAQYLSRUSA-N 2 2 391.987 3.729 20 0 GHADLP CN(Cc1cc(Cl)ccc1OCC1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684619806 844835274 /nfs/dbraw/zinc/83/52/74/844835274.db2.gz PTNBXTBRNVDMED-OAQYLSRUSA-N 2 2 391.987 3.729 20 0 GHADLP Cc1ccccc1-c1cccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000261786438 844910213 /nfs/dbraw/zinc/91/02/13/844910213.db2.gz QNCIIYMFWDUDDQ-UHFFFAOYSA-N 2 2 387.531 3.736 20 0 GHADLP C(=C\c1ccccc1)\C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512658142 844926370 /nfs/dbraw/zinc/92/63/70/844926370.db2.gz OFUCKEYZQKFMTC-ZJZKVMBWSA-N 2 2 376.548 3.629 20 0 GHADLP C(=C\c1ccccc1)\C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512658142 844926382 /nfs/dbraw/zinc/92/63/82/844926382.db2.gz OFUCKEYZQKFMTC-ZJZKVMBWSA-N 2 2 376.548 3.629 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000512674291 844994492 /nfs/dbraw/zinc/99/44/92/844994492.db2.gz VLRFWBQLOSXJDE-QZTJIDSGSA-N 2 2 399.501 3.618 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000512683108 845028977 /nfs/dbraw/zinc/02/89/77/845028977.db2.gz MTPKARWWYDHIRE-HDICACEKSA-N 2 2 386.971 3.879 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000512683108 845029062 /nfs/dbraw/zinc/02/90/62/845029062.db2.gz MTPKARWWYDHIRE-HDICACEKSA-N 2 2 386.971 3.879 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1O ZINC000277254487 845432329 /nfs/dbraw/zinc/43/23/29/845432329.db2.gz PVOAIZMPNGANJJ-ZWKOTPCHSA-N 2 2 383.536 3.932 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2c[nH]nc2-c2cccs2)[C@@H]1c1cnn(C)c1 ZINC000434004606 845701053 /nfs/dbraw/zinc/70/10/53/845701053.db2.gz YIEZUPQCWLOUFW-HRAATJIYSA-N 2 2 398.580 3.777 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2c[nH]nc2-c2cccs2)[C@@H]1c1cnn(C)c1 ZINC000434004606 845701060 /nfs/dbraw/zinc/70/10/60/845701060.db2.gz YIEZUPQCWLOUFW-HRAATJIYSA-N 2 2 398.580 3.777 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2c[nH]nc2-c2cccs2)[C@@H]1c1cnn(C)c1 ZINC000434004606 845701064 /nfs/dbraw/zinc/70/10/64/845701064.db2.gz YIEZUPQCWLOUFW-HRAATJIYSA-N 2 2 398.580 3.777 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2c[nH]nc2-c2cccs2)[C@@H]1c1cnn(C)c1 ZINC000434004606 845701072 /nfs/dbraw/zinc/70/10/72/845701072.db2.gz YIEZUPQCWLOUFW-HRAATJIYSA-N 2 2 398.580 3.777 20 0 GHADLP Clc1cc(C[NH+]2CCC[C@@H]3COC[C@@H]32)cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000657293828 845759202 /nfs/dbraw/zinc/75/92/02/845759202.db2.gz SNASPLKGMNCWSR-WKDRNLAYSA-N 2 2 390.955 3.562 20 0 GHADLP Clc1cc(C[NH+]2CCC[C@@H]3COC[C@@H]32)cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000657293828 845759205 /nfs/dbraw/zinc/75/92/05/845759205.db2.gz SNASPLKGMNCWSR-WKDRNLAYSA-N 2 2 390.955 3.562 20 0 GHADLP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000472087255 845782544 /nfs/dbraw/zinc/78/25/44/845782544.db2.gz QUOHOSCVZHZOHT-QFIPXVFZSA-N 2 2 397.567 3.759 20 0 GHADLP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H]4CCn5cc[nH+]c5C4)cc3)nc12 ZINC000548622641 845897815 /nfs/dbraw/zinc/89/78/15/845897815.db2.gz MGVIDGXJGUULJT-LJQANCHMSA-N 2 2 387.487 3.523 20 0 GHADLP COC(=O)C1CCC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000511055496 846064843 /nfs/dbraw/zinc/06/48/43/846064843.db2.gz ZWPAENDEXICMII-STTLMXHVSA-N 2 2 392.543 3.976 20 0 GHADLP COC(=O)C1CCC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000511055496 846064847 /nfs/dbraw/zinc/06/48/47/846064847.db2.gz ZWPAENDEXICMII-STTLMXHVSA-N 2 2 392.543 3.976 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000157712595 846132467 /nfs/dbraw/zinc/13/24/67/846132467.db2.gz VMPXLLGCRCAMAX-UHFFFAOYSA-N 2 2 394.563 3.767 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000157712595 846132471 /nfs/dbraw/zinc/13/24/71/846132471.db2.gz VMPXLLGCRCAMAX-UHFFFAOYSA-N 2 2 394.563 3.767 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000152070115 846197071 /nfs/dbraw/zinc/19/70/71/846197071.db2.gz RDYJBEAKWASUIX-XXBNENTESA-N 2 2 397.538 3.769 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000152070115 846197076 /nfs/dbraw/zinc/19/70/76/846197076.db2.gz RDYJBEAKWASUIX-XXBNENTESA-N 2 2 397.538 3.769 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)CC1 ZINC000422020027 846772674 /nfs/dbraw/zinc/77/26/74/846772674.db2.gz LYZVZCXLHWFQGF-PCCBWWKXSA-N 2 2 375.601 3.612 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)CC1 ZINC000422020027 846772685 /nfs/dbraw/zinc/77/26/85/846772685.db2.gz LYZVZCXLHWFQGF-PCCBWWKXSA-N 2 2 375.601 3.612 20 0 GHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000582301547 846811417 /nfs/dbraw/zinc/81/14/17/846811417.db2.gz KVZKDVXEQMAPEB-VQTJNVASSA-N 2 2 388.515 3.589 20 0 GHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000582301547 846811419 /nfs/dbraw/zinc/81/14/19/846811419.db2.gz KVZKDVXEQMAPEB-VQTJNVASSA-N 2 2 388.515 3.589 20 0 GHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2c(C)nn(C)c2C)cc1 ZINC000271735035 846905633 /nfs/dbraw/zinc/90/56/33/846905633.db2.gz UUOIYYGXLVLKNC-UHFFFAOYSA-N 2 2 381.524 3.725 20 0 GHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2c(C)nn(C)c2C)cc1 ZINC000271735035 846905649 /nfs/dbraw/zinc/90/56/49/846905649.db2.gz UUOIYYGXLVLKNC-UHFFFAOYSA-N 2 2 381.524 3.725 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccccc1Cl ZINC000501488848 846951156 /nfs/dbraw/zinc/95/11/56/846951156.db2.gz CVGLDGPAVPPNDK-MSOLQXFVSA-N 2 2 394.972 3.606 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657413498 847080715 /nfs/dbraw/zinc/08/07/15/847080715.db2.gz WKNZPFKFZFIDQM-MBSDFSHPSA-N 2 2 381.520 3.565 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657413496 847081055 /nfs/dbraw/zinc/08/10/55/847081055.db2.gz WKNZPFKFZFIDQM-FDDCHVKYSA-N 2 2 381.520 3.565 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)c2cccs2)cc1 ZINC000420362383 847139027 /nfs/dbraw/zinc/13/90/27/847139027.db2.gz OCGVKUSKRBVXBF-UGKGYDQZSA-N 2 2 385.577 3.759 20 0 GHADLP C[NH+](C)CCOc1ccccc1-c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000582445871 847260403 /nfs/dbraw/zinc/26/04/03/847260403.db2.gz NDUNBPKAXAUPLL-UHFFFAOYSA-N 2 2 389.459 3.589 20 0 GHADLP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)cc1 ZINC000273479160 847350506 /nfs/dbraw/zinc/35/05/06/847350506.db2.gz SDEMZJHIYWVOOR-UHFFFAOYSA-N 2 2 394.968 3.875 20 0 GHADLP COC[C@@H]([NH2+]Cc1cccc(C[NH2+][C@@H](COC)c2ccco2)c1)c1ccco1 ZINC000273541795 847367274 /nfs/dbraw/zinc/36/72/74/847367274.db2.gz VOINWWAAWHWEIQ-BGYRXZFFSA-N 2 2 384.476 3.827 20 0 GHADLP COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000481580214 861789863 /nfs/dbraw/zinc/78/98/63/861789863.db2.gz JSQILROHMJAWEU-HSZRJFAPSA-N 2 2 380.532 3.581 20 0 GHADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420847581 847485025 /nfs/dbraw/zinc/48/50/25/847485025.db2.gz KSPRYVKIURESLD-NRFANRHFSA-N 2 2 380.536 3.752 20 0 GHADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420847581 847485028 /nfs/dbraw/zinc/48/50/28/847485028.db2.gz KSPRYVKIURESLD-NRFANRHFSA-N 2 2 380.536 3.752 20 0 GHADLP Cc1cc(CNC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000420855775 847490532 /nfs/dbraw/zinc/49/05/32/847490532.db2.gz XBAARPVGNNLMQO-CTNGQTDRSA-N 2 2 380.536 3.798 20 0 GHADLP Cc1cc(CNC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000420855775 847490539 /nfs/dbraw/zinc/49/05/39/847490539.db2.gz XBAARPVGNNLMQO-CTNGQTDRSA-N 2 2 380.536 3.798 20 0 GHADLP Fc1ccc(OC2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000420903030 847520886 /nfs/dbraw/zinc/52/08/86/847520886.db2.gz APYTZHYJSYUBQA-UHFFFAOYSA-N 2 2 384.495 3.701 20 0 GHADLP c1[nH]c2ncccc2c1C1=CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420935050 847554505 /nfs/dbraw/zinc/55/45/05/847554505.db2.gz LHLKMPCTPXXGSK-UHFFFAOYSA-N 2 2 388.515 3.684 20 0 GHADLP c1[nH]c2ncccc2c1C1=CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420935050 847554515 /nfs/dbraw/zinc/55/45/15/847554515.db2.gz LHLKMPCTPXXGSK-UHFFFAOYSA-N 2 2 388.515 3.684 20 0 GHADLP Clc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CCCC34CCOCC4)CC2)c1 ZINC000502243383 847634291 /nfs/dbraw/zinc/63/42/91/847634291.db2.gz WTQJRNBKUKULPP-NRFANRHFSA-N 2 2 391.987 3.791 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379879 847653555 /nfs/dbraw/zinc/65/35/55/847653555.db2.gz XLIUNFYRXBXHRO-IEBWSBKVSA-N 2 2 398.526 3.585 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379879 847653568 /nfs/dbraw/zinc/65/35/68/847653568.db2.gz XLIUNFYRXBXHRO-IEBWSBKVSA-N 2 2 398.526 3.585 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc(-n4cccc4)c3)CC2)CC1 ZINC000421050373 847666191 /nfs/dbraw/zinc/66/61/91/847666191.db2.gz IFHGPCDUSBSLDC-UHFFFAOYSA-N 2 2 395.551 3.501 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc(-n4cccc4)c3)CC2)CC1 ZINC000421050373 847666194 /nfs/dbraw/zinc/66/61/94/847666194.db2.gz IFHGPCDUSBSLDC-UHFFFAOYSA-N 2 2 395.551 3.501 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cs2)cc1OC ZINC000422632965 847741646 /nfs/dbraw/zinc/74/16/46/847741646.db2.gz HMHYQLXDUDBUTD-YCPHGPKFSA-N 2 2 375.538 3.633 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cs2)cc1OC ZINC000422632965 847741652 /nfs/dbraw/zinc/74/16/52/847741652.db2.gz HMHYQLXDUDBUTD-YCPHGPKFSA-N 2 2 375.538 3.633 20 0 GHADLP Brc1cccc2c1OCC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000502356345 847791555 /nfs/dbraw/zinc/79/15/55/847791555.db2.gz TTWVNLFHASUSGP-KRWDZBQOSA-N 2 2 388.309 3.926 20 0 GHADLP COc1ccccc1[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])N1CCCCC1 ZINC000422719515 847794875 /nfs/dbraw/zinc/79/48/75/847794875.db2.gz YJIIQJHXIQCMIO-PMOQBDJRSA-N 2 2 381.564 3.770 20 0 GHADLP O=C([C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1)N1CCCCC1 ZINC000481609986 861832201 /nfs/dbraw/zinc/83/22/01/861832201.db2.gz IDOYTWGCYGLZMH-UPVQGACJSA-N 2 2 391.559 3.852 20 0 GHADLP O=C([C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1)N1CCCCC1 ZINC000481609986 861832218 /nfs/dbraw/zinc/83/22/18/861832218.db2.gz IDOYTWGCYGLZMH-UPVQGACJSA-N 2 2 391.559 3.852 20 0 GHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422901282 847878782 /nfs/dbraw/zinc/87/87/82/847878782.db2.gz RVCDBCXPFWSJHC-ZCYQVOJMSA-N 3 2 391.559 3.805 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC[N@@H+]1C ZINC000179904138 861840167 /nfs/dbraw/zinc/84/01/67/861840167.db2.gz RUSDMCNNDCTOCB-KDOFPFPSSA-N 2 2 377.330 3.549 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC[N@H+]1C ZINC000179904138 861840180 /nfs/dbraw/zinc/84/01/80/861840180.db2.gz RUSDMCNNDCTOCB-KDOFPFPSSA-N 2 2 377.330 3.549 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC[NH+]1C ZINC000179904138 861840195 /nfs/dbraw/zinc/84/01/95/861840195.db2.gz RUSDMCNNDCTOCB-KDOFPFPSSA-N 2 2 377.330 3.549 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC[NH+]1C ZINC000179904138 861840210 /nfs/dbraw/zinc/84/02/10/861840210.db2.gz RUSDMCNNDCTOCB-KDOFPFPSSA-N 2 2 377.330 3.549 20 0 GHADLP Brc1cc2c(c(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)c1)OCC2 ZINC000423052174 847966362 /nfs/dbraw/zinc/96/63/62/847966362.db2.gz PYFDZQPHCQGSBD-OALUTQOASA-N 2 2 387.321 3.967 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000657525133 848045426 /nfs/dbraw/zinc/04/54/26/848045426.db2.gz TYOBWVIENNEDGJ-JOCHJYFZSA-N 2 2 389.547 3.956 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000657525133 848045434 /nfs/dbraw/zinc/04/54/34/848045434.db2.gz TYOBWVIENNEDGJ-JOCHJYFZSA-N 2 2 389.547 3.956 20 0 GHADLP O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237918298 848795679 /nfs/dbraw/zinc/79/56/79/848795679.db2.gz ABGQYPHBFBFCEW-LNLFQRSKSA-N 2 2 396.560 3.561 20 0 GHADLP O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237918298 848795682 /nfs/dbraw/zinc/79/56/82/848795682.db2.gz ABGQYPHBFBFCEW-LNLFQRSKSA-N 2 2 396.560 3.561 20 0 GHADLP C[C@H](OC[C@@H](O)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000583019402 848887873 /nfs/dbraw/zinc/88/78/73/848887873.db2.gz ANPYIPLUIKNJMI-JTSKRJEESA-N 2 2 399.922 3.813 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000123129234 849064651 /nfs/dbraw/zinc/06/46/51/849064651.db2.gz HKZOTDFREDPASC-DBVUQKKJSA-N 2 2 388.556 3.642 20 0 GHADLP CCCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H](CC)c1ccccc1 ZINC000604208947 861994703 /nfs/dbraw/zinc/99/47/03/861994703.db2.gz KZKLNFYHRDHRDK-RBBKRZOGSA-N 2 2 386.584 3.728 20 0 GHADLP CCCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H](CC)c1ccccc1 ZINC000604208947 861994714 /nfs/dbraw/zinc/99/47/14/861994714.db2.gz KZKLNFYHRDHRDK-RBBKRZOGSA-N 2 2 386.584 3.728 20 0 GHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000154411917 849291794 /nfs/dbraw/zinc/29/17/94/849291794.db2.gz BQZWZGZNEZJHEY-HNNXBMFYSA-N 2 2 389.341 3.680 20 0 GHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000154411917 849291800 /nfs/dbraw/zinc/29/18/00/849291800.db2.gz BQZWZGZNEZJHEY-HNNXBMFYSA-N 2 2 389.341 3.680 20 0 GHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000154411917 849291802 /nfs/dbraw/zinc/29/18/02/849291802.db2.gz BQZWZGZNEZJHEY-HNNXBMFYSA-N 2 2 389.341 3.680 20 0 GHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000154411917 849291803 /nfs/dbraw/zinc/29/18/03/849291803.db2.gz BQZWZGZNEZJHEY-HNNXBMFYSA-N 2 2 389.341 3.680 20 0 GHADLP CC(C)(CO)[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000583374211 849743028 /nfs/dbraw/zinc/74/30/28/849743028.db2.gz QDSNRMFLFJASLW-CTNGQTDRSA-N 2 2 388.577 3.688 20 0 GHADLP CC(C)(CO)[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000583374211 849743031 /nfs/dbraw/zinc/74/30/31/849743031.db2.gz QDSNRMFLFJASLW-CTNGQTDRSA-N 2 2 388.577 3.688 20 0 GHADLP CCN1CCO[C@@H](C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000423100787 849743595 /nfs/dbraw/zinc/74/35/95/849743595.db2.gz HMTGSTUIGCIHIM-LWSSLDFYSA-N 2 2 379.548 3.531 20 0 GHADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423397072 849901306 /nfs/dbraw/zinc/90/13/06/849901306.db2.gz OBKOMNNGQOTLFL-HRAATJIYSA-N 2 2 377.488 3.855 20 0 GHADLP COC[C@@]1(C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CCC[NH2+]1 ZINC000423437906 849930655 /nfs/dbraw/zinc/93/06/55/849930655.db2.gz UNMHBJSSSCTTSA-JXFKEZNVSA-N 2 2 375.513 3.685 20 0 GHADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c(Cl)c1 ZINC000424274221 850346837 /nfs/dbraw/zinc/34/68/37/850346837.db2.gz YKIIWIRGBWBIAG-KRWDZBQOSA-N 2 2 387.955 3.947 20 0 GHADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c(Cl)c1 ZINC000424274221 850346847 /nfs/dbraw/zinc/34/68/47/850346847.db2.gz YKIIWIRGBWBIAG-KRWDZBQOSA-N 2 2 387.955 3.947 20 0 GHADLP C[C@@H]1CCN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000519101446 850626522 /nfs/dbraw/zinc/62/65/22/850626522.db2.gz XGCVYKJVLKAETR-CTNGQTDRSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@@H]1CCN(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000519101446 850626527 /nfs/dbraw/zinc/62/65/27/850626527.db2.gz XGCVYKJVLKAETR-CTNGQTDRSA-N 2 2 395.551 3.530 20 0 GHADLP CC(C)(C)[NH+]1CCC(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000515471595 851069155 /nfs/dbraw/zinc/06/91/55/851069155.db2.gz RDTBMKJKBUCVSQ-UHFFFAOYSA-N 2 2 379.574 3.513 20 0 GHADLP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513992351 851092342 /nfs/dbraw/zinc/09/23/42/851092342.db2.gz PUANUQPYYXWLOH-OAQYLSRUSA-N 2 2 383.923 3.723 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)[C@H](C)C1 ZINC000180523645 862204791 /nfs/dbraw/zinc/20/47/91/862204791.db2.gz GVZQAPYPKAAODV-RISCZKNCSA-N 2 2 377.273 3.870 20 0 GHADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)[C@H](C)C1 ZINC000180523645 862204810 /nfs/dbraw/zinc/20/48/10/862204810.db2.gz GVZQAPYPKAAODV-RISCZKNCSA-N 2 2 377.273 3.870 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000515534951 851143151 /nfs/dbraw/zinc/14/31/51/851143151.db2.gz VLFPTZXCOIJSJC-FPOVZHCZSA-N 2 2 397.567 3.530 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000515534951 851143155 /nfs/dbraw/zinc/14/31/55/851143155.db2.gz VLFPTZXCOIJSJC-FPOVZHCZSA-N 2 2 397.567 3.530 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425150485 851500252 /nfs/dbraw/zinc/50/02/52/851500252.db2.gz XZPLTONQNKFHLR-QIJUGHKUSA-N 2 2 388.515 3.883 20 0 GHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425150485 851500258 /nfs/dbraw/zinc/50/02/58/851500258.db2.gz XZPLTONQNKFHLR-QIJUGHKUSA-N 2 2 388.515 3.883 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425146618 851510650 /nfs/dbraw/zinc/51/06/50/851510650.db2.gz PTZIUPDTVKNIIY-YHELAOLJSA-N 2 2 380.536 3.796 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425146618 851510658 /nfs/dbraw/zinc/51/06/58/851510658.db2.gz PTZIUPDTVKNIIY-YHELAOLJSA-N 2 2 380.536 3.796 20 0 GHADLP Cc1cc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc(C)[nH+]1 ZINC000515824654 851529472 /nfs/dbraw/zinc/52/94/72/851529472.db2.gz ICBFCVUFUZKGJT-FRIKZZABSA-N 2 2 378.520 3.693 20 0 GHADLP Cc1cc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(C)[nH+]1 ZINC000515824654 851529480 /nfs/dbraw/zinc/52/94/80/851529480.db2.gz ICBFCVUFUZKGJT-FRIKZZABSA-N 2 2 378.520 3.693 20 0 GHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000111243902 851580168 /nfs/dbraw/zinc/58/01/68/851580168.db2.gz JNFCFZRVWGPPDR-QFIPXVFZSA-N 2 2 384.499 3.707 20 0 GHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)NCC1(c2ccccc2)CCCCC1 ZINC000111244136 851580516 /nfs/dbraw/zinc/58/05/16/851580516.db2.gz VUSQHJKRSFXVLI-UHFFFAOYSA-N 2 2 380.536 3.538 20 0 GHADLP CO[C@H](C)c1noc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664835961 851860925 /nfs/dbraw/zinc/86/09/25/851860925.db2.gz IWVVUBXFDJYBCB-DYESRHJHSA-N 2 2 398.551 3.900 20 0 GHADLP CO[C@H](C)c1noc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664835961 851860927 /nfs/dbraw/zinc/86/09/27/851860927.db2.gz IWVVUBXFDJYBCB-DYESRHJHSA-N 2 2 398.551 3.900 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3c(C)nn(C(C)C)c3C)CC2)cc1 ZINC000894729038 852048048 /nfs/dbraw/zinc/04/80/48/852048048.db2.gz NUBFHSHMVQHHCM-UHFFFAOYSA-N 2 2 397.567 3.793 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCC(C)(C)c4ccccc43)CC2)CC1 ZINC000102009653 852087386 /nfs/dbraw/zinc/08/73/86/852087386.db2.gz UZKMDGCUANGUAL-JOCHJYFZSA-N 2 2 398.595 3.657 20 0 GHADLP C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)cccc21 ZINC000516204975 852254045 /nfs/dbraw/zinc/25/40/45/852254045.db2.gz JLXKKFPNIBZHQU-HXUWFJFHSA-N 2 2 376.460 3.569 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000489455377 852348477 /nfs/dbraw/zinc/34/84/77/852348477.db2.gz IGWONRVXMUAVKC-QFIPXVFZSA-N 2 2 392.547 3.816 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000489455377 852348481 /nfs/dbraw/zinc/34/84/81/852348481.db2.gz IGWONRVXMUAVKC-QFIPXVFZSA-N 2 2 392.547 3.816 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2ccccc2C(F)F)([NH+]2CCCCC2)CC1 ZINC000425695575 852642013 /nfs/dbraw/zinc/64/20/13/852642013.db2.gz XESSBHVCBDITOM-UHFFFAOYSA-N 2 2 380.483 3.696 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CCCC1)c1ccccc1 ZINC000438834023 852944124 /nfs/dbraw/zinc/94/41/24/852944124.db2.gz QVRLGCOPLGTOAB-SXLOBPIMSA-N 2 2 378.582 3.595 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1nnc2n1CCCCC2 ZINC000507474586 852947852 /nfs/dbraw/zinc/94/78/52/852947852.db2.gz XSUWRAZQESPIQT-YUMYIRISSA-N 2 2 393.579 3.956 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1nnc2n1CCCCC2 ZINC000507474586 852947858 /nfs/dbraw/zinc/94/78/58/852947858.db2.gz XSUWRAZQESPIQT-YUMYIRISSA-N 2 2 393.579 3.956 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CC([NH+]4CCCCC4)C3)n2)C1 ZINC000519608831 852998262 /nfs/dbraw/zinc/99/82/62/852998262.db2.gz KHTXWHJEMHAUCC-HJOIGYKYSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CC([NH+]4CCCCC4)C3)n2)C1 ZINC000519608831 852998264 /nfs/dbraw/zinc/99/82/64/852998264.db2.gz KHTXWHJEMHAUCC-HJOIGYKYSA-N 2 2 391.585 3.513 20 0 GHADLP CCc1[nH+]c2ccccc2c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1C ZINC000516800960 853024011 /nfs/dbraw/zinc/02/40/11/853024011.db2.gz YIPIGWMJSOIHTR-YOFSQIOKSA-N 3 2 378.564 3.853 20 0 GHADLP CCc1[nH+]c2ccccc2c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1C ZINC000516800960 853024018 /nfs/dbraw/zinc/02/40/18/853024018.db2.gz YIPIGWMJSOIHTR-YOFSQIOKSA-N 3 2 378.564 3.853 20 0 GHADLP COc1cc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000518272009 853146483 /nfs/dbraw/zinc/14/64/83/853146483.db2.gz YMPRYHBFHVJFCT-BGYRXZFFSA-N 2 2 398.547 3.863 20 0 GHADLP COc1cc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000518272009 853146487 /nfs/dbraw/zinc/14/64/87/853146487.db2.gz YMPRYHBFHVJFCT-BGYRXZFFSA-N 2 2 398.547 3.863 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000518262577 853153351 /nfs/dbraw/zinc/15/33/51/853153351.db2.gz OVSNIOOXUKAGCM-QUCCMNQESA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000518262577 853153355 /nfs/dbraw/zinc/15/33/55/853153355.db2.gz OVSNIOOXUKAGCM-QUCCMNQESA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000518262577 853153360 /nfs/dbraw/zinc/15/33/60/853153360.db2.gz OVSNIOOXUKAGCM-QUCCMNQESA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000518262577 853153363 /nfs/dbraw/zinc/15/33/63/853153363.db2.gz OVSNIOOXUKAGCM-QUCCMNQESA-N 2 2 382.504 3.583 20 0 GHADLP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439060885 853228632 /nfs/dbraw/zinc/22/86/32/853228632.db2.gz KTULOIXYFYMUBZ-HKUYNNGSSA-N 2 2 393.535 3.977 20 0 GHADLP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439060885 853228647 /nfs/dbraw/zinc/22/86/47/853228647.db2.gz KTULOIXYFYMUBZ-HKUYNNGSSA-N 2 2 393.535 3.977 20 0 GHADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000518628647 853588762 /nfs/dbraw/zinc/58/87/62/853588762.db2.gz GPSBQFIKPKHOBZ-HZPDHXFCSA-N 2 2 379.574 3.513 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c(C)c1 ZINC000440842446 853674594 /nfs/dbraw/zinc/67/45/94/853674594.db2.gz FXDBQDKXIAZVMR-IFMALSPDSA-N 2 2 397.567 3.661 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCC[C@H](C(C)(C)C)CC3)CC2)CC1 ZINC000188177129 853819134 /nfs/dbraw/zinc/81/91/34/853819134.db2.gz JVVXELXDTPNDNU-RBUKOAKNSA-N 2 2 392.632 3.839 20 0 GHADLP C[C@@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000164851578 853908653 /nfs/dbraw/zinc/90/86/53/853908653.db2.gz MJOYEPYUKZHPED-CTNGQTDRSA-N 2 2 380.536 3.595 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)CCCc3ccccc3)CC2)CC1 ZINC000112632642 854279175 /nfs/dbraw/zinc/27/91/75/854279175.db2.gz DAUDWHUOMFOTSA-UHFFFAOYSA-N 2 2 385.596 3.710 20 0 GHADLP O=C1CC2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)Oc2ccccc21 ZINC001167995333 854445664 /nfs/dbraw/zinc/44/56/64/854445664.db2.gz AVJGJRDMAZENRX-YOFSQIOKSA-N 2 2 380.532 3.892 20 0 GHADLP O=C1CC2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)Oc2ccccc21 ZINC001167995333 854445667 /nfs/dbraw/zinc/44/56/67/854445667.db2.gz AVJGJRDMAZENRX-YOFSQIOKSA-N 2 2 380.532 3.892 20 0 GHADLP CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000572393314 854476716 /nfs/dbraw/zinc/47/67/16/854476716.db2.gz FBRQRXICVMOZRN-JOCHJYFZSA-N 2 2 393.531 3.758 20 0 GHADLP CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000572393315 854476898 /nfs/dbraw/zinc/47/68/98/854476898.db2.gz FBRQRXICVMOZRN-QFIPXVFZSA-N 2 2 393.531 3.758 20 0 GHADLP C[NH+](C)[C@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)c1cccc(Cl)c1 ZINC000572401017 854478396 /nfs/dbraw/zinc/47/83/96/854478396.db2.gz OTOPIQFOPWDAKM-INIZCTEOSA-N 2 2 378.929 3.505 20 0 GHADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000589199529 854744777 /nfs/dbraw/zinc/74/47/77/854744777.db2.gz GSSQXASUNHJEIR-SFHVURJKSA-N 2 2 379.460 3.846 20 0 GHADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000589199529 854744781 /nfs/dbraw/zinc/74/47/81/854744781.db2.gz GSSQXASUNHJEIR-SFHVURJKSA-N 2 2 379.460 3.846 20 0 GHADLP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000589883484 855172845 /nfs/dbraw/zinc/17/28/45/855172845.db2.gz WBJNVAPUKFLHMP-HSZRJFAPSA-N 2 2 388.515 3.888 20 0 GHADLP Cc1ccc(Nc2nc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cs2)cc1 ZINC000590060203 855268279 /nfs/dbraw/zinc/26/82/79/855268279.db2.gz YJEIDVMVOIHZLJ-UHFFFAOYSA-N 2 2 386.565 3.739 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c[nH+]1 ZINC000459078462 855397821 /nfs/dbraw/zinc/39/78/21/855397821.db2.gz OIBRSRJTMKDREZ-UHFFFAOYSA-N 2 2 392.547 3.896 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c[nH+]1 ZINC000459078462 855397826 /nfs/dbraw/zinc/39/78/26/855397826.db2.gz OIBRSRJTMKDREZ-UHFFFAOYSA-N 2 2 392.547 3.896 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000591450384 855994596 /nfs/dbraw/zinc/99/45/96/855994596.db2.gz GUVATQMMYKOGDG-SFHVURJKSA-N 2 2 396.535 3.683 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000591450384 855994601 /nfs/dbraw/zinc/99/46/01/855994601.db2.gz GUVATQMMYKOGDG-SFHVURJKSA-N 2 2 396.535 3.683 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181109249 862756439 /nfs/dbraw/zinc/75/64/39/862756439.db2.gz WCICNLLDLQZCHC-IBGZPJMESA-N 2 2 376.504 3.823 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181109249 862756447 /nfs/dbraw/zinc/75/64/47/862756447.db2.gz WCICNLLDLQZCHC-IBGZPJMESA-N 2 2 376.504 3.823 20 0 GHADLP COc1cc2c(cc1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1)O[C@@H](C)C2 ZINC000030664614 856121429 /nfs/dbraw/zinc/12/14/29/856121429.db2.gz KCUNOTUGXSHMED-KRWDZBQOSA-N 2 2 377.488 3.596 20 0 GHADLP COc1cc(Br)ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000542852446 856139898 /nfs/dbraw/zinc/13/98/98/856139898.db2.gz DELJGIAICXQXKI-KDOFPFPSSA-N 2 2 379.342 3.906 20 0 GHADLP COc1cc(Br)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000542852446 856139901 /nfs/dbraw/zinc/13/99/01/856139901.db2.gz DELJGIAICXQXKI-KDOFPFPSSA-N 2 2 379.342 3.906 20 0 GHADLP COc1cc(Br)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000542852446 856139903 /nfs/dbraw/zinc/13/99/03/856139903.db2.gz DELJGIAICXQXKI-KDOFPFPSSA-N 2 2 379.342 3.906 20 0 GHADLP COc1cc(Br)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000542852446 856139907 /nfs/dbraw/zinc/13/99/07/856139907.db2.gz DELJGIAICXQXKI-KDOFPFPSSA-N 2 2 379.342 3.906 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111827 856157047 /nfs/dbraw/zinc/15/70/47/856157047.db2.gz LIYIVMYCPVEOLM-WGSAOQKQSA-N 2 2 376.508 3.556 20 0 GHADLP Cn1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(C2CCCC2)n1 ZINC000905412250 856310191 /nfs/dbraw/zinc/31/01/91/856310191.db2.gz TUIPUIIRUBKWJS-UHFFFAOYSA-N 2 2 382.556 3.615 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000760904476 856400419 /nfs/dbraw/zinc/40/04/19/856400419.db2.gz BTDFVOGWEUNPBE-VCERZCPPSA-N 2 2 379.548 3.712 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000760904476 856400425 /nfs/dbraw/zinc/40/04/25/856400425.db2.gz BTDFVOGWEUNPBE-VCERZCPPSA-N 2 2 379.548 3.712 20 0 GHADLP CN(C(=O)C(C)(C)Cc1cccc(Cl)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674685697 856705633 /nfs/dbraw/zinc/70/56/33/856705633.db2.gz ZWHQCOLNUMWVFC-HXUWFJFHSA-N 2 2 391.987 3.536 20 0 GHADLP CN(C(=O)C(C)(C)Cc1cccc(Cl)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674685697 856705641 /nfs/dbraw/zinc/70/56/41/856705641.db2.gz ZWHQCOLNUMWVFC-HXUWFJFHSA-N 2 2 391.987 3.536 20 0 GHADLP Cc1ccccc1C1(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCCCC1 ZINC000498415082 857096406 /nfs/dbraw/zinc/09/64/06/857096406.db2.gz OFVQOKALURHWLB-UHFFFAOYSA-N 2 2 385.596 3.681 20 0 GHADLP Cc1ccccc1C1(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCCCC1 ZINC000498415082 857096414 /nfs/dbraw/zinc/09/64/14/857096414.db2.gz OFVQOKALURHWLB-UHFFFAOYSA-N 2 2 385.596 3.681 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000056894705 857125361 /nfs/dbraw/zinc/12/53/61/857125361.db2.gz KIXOUYVFKNKFQT-UHFFFAOYSA-N 2 2 391.519 3.714 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)cc1 ZINC000665256491 857137311 /nfs/dbraw/zinc/13/73/11/857137311.db2.gz BOWYUBJEHKNYPR-CZAAIQMYSA-N 2 2 382.504 3.653 20 0 GHADLP CCCC[C@H]1CCC[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465943685 857165413 /nfs/dbraw/zinc/16/54/13/857165413.db2.gz QELQYAKFFBIRJQ-VQTJNVASSA-N 2 2 378.605 3.595 20 0 GHADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CCc4c[nH+]cn4C3)c2c1C ZINC000672324796 857166453 /nfs/dbraw/zinc/16/64/53/857166453.db2.gz JQNWCPZYFDKAKD-HNNXBMFYSA-N 2 2 382.537 3.527 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000057376095 857196186 /nfs/dbraw/zinc/19/61/86/857196186.db2.gz HIXYHWSYNYHUQM-WOJBJXKFSA-N 2 2 397.567 3.641 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1Cl ZINC000246119893 857240153 /nfs/dbraw/zinc/24/01/53/857240153.db2.gz GVJJGNNNFYNFNL-KKUMJFAQSA-N 2 2 386.367 3.833 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1Cl ZINC000246119893 857240165 /nfs/dbraw/zinc/24/01/65/857240165.db2.gz GVJJGNNNFYNFNL-KKUMJFAQSA-N 2 2 386.367 3.833 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000246119893 857240173 /nfs/dbraw/zinc/24/01/73/857240173.db2.gz GVJJGNNNFYNFNL-KKUMJFAQSA-N 2 2 386.367 3.833 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000246119893 857240183 /nfs/dbraw/zinc/24/01/83/857240183.db2.gz GVJJGNNNFYNFNL-KKUMJFAQSA-N 2 2 386.367 3.833 20 0 GHADLP c1ccc(N2CCC([NH2+]Cc3cccc(COC[C@@H]4CCCO4)c3)CC2)[nH+]c1 ZINC000658349046 857464014 /nfs/dbraw/zinc/46/40/14/857464014.db2.gz RGHWPLRKWBCNCQ-QFIPXVFZSA-N 2 2 381.520 3.536 20 0 GHADLP COc1ccc2[nH]cc(CC[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)c2c1 ZINC000675876908 857657496 /nfs/dbraw/zinc/65/74/96/857657496.db2.gz BJPFYMCPVLEACY-VGSWGCGISA-N 2 2 378.520 3.614 20 0 GHADLP COc1ccc2[nH]cc(CC[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)c2c1 ZINC000675876908 857657500 /nfs/dbraw/zinc/65/75/00/857657500.db2.gz BJPFYMCPVLEACY-VGSWGCGISA-N 2 2 378.520 3.614 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cnn(-c4ccc(F)cc4)c3)[nH+]c2)CC1 ZINC000676201912 857782165 /nfs/dbraw/zinc/78/21/65/857782165.db2.gz QGIPTCHRXPCDTM-UHFFFAOYSA-N 2 2 394.498 3.549 20 0 GHADLP CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181660212 862959748 /nfs/dbraw/zinc/95/97/48/862959748.db2.gz YNDQIRLHRFJMFP-HKUYNNGSSA-N 2 2 383.517 3.775 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676477930 857899124 /nfs/dbraw/zinc/89/91/24/857899124.db2.gz PJNOZIMLJKCDGK-NLWGTHIKSA-N 2 2 376.504 3.939 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676477930 857899127 /nfs/dbraw/zinc/89/91/27/857899127.db2.gz PJNOZIMLJKCDGK-NLWGTHIKSA-N 2 2 376.504 3.939 20 0 GHADLP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000132206967 857949733 /nfs/dbraw/zinc/94/97/33/857949733.db2.gz ISWGZNPENLBJPA-FGZHOGPDSA-N 2 2 395.551 3.531 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000574632322 858124246 /nfs/dbraw/zinc/12/42/46/858124246.db2.gz TVAYRFHWYSWEAN-MRXNPFEDSA-N 2 2 386.927 3.879 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000765973784 858178046 /nfs/dbraw/zinc/17/80/46/858178046.db2.gz FQZMQHPDIDRYKD-OAHLLOKOSA-N 2 2 379.508 3.654 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000443009757 858309139 /nfs/dbraw/zinc/30/91/39/858309139.db2.gz ZXAHOGXQENJBKZ-FQEVSTJZSA-N 2 2 378.438 3.740 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000443009757 858309142 /nfs/dbraw/zinc/30/91/42/858309142.db2.gz ZXAHOGXQENJBKZ-FQEVSTJZSA-N 2 2 378.438 3.740 20 0 GHADLP Cc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1Cl ZINC000466151050 858481879 /nfs/dbraw/zinc/48/18/79/858481879.db2.gz YHJVDSNVOKMISZ-UHFFFAOYSA-N 2 2 378.948 3.720 20 0 GHADLP CC(C)CCN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CCCC1 ZINC000466155140 858500734 /nfs/dbraw/zinc/50/07/34/858500734.db2.gz UQRPUHXTCOBJQK-UHFFFAOYSA-N 2 2 392.632 3.937 20 0 GHADLP O=C1CCCN1C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000166170125 858502785 /nfs/dbraw/zinc/50/27/85/858502785.db2.gz FZOQNLMJLHROMI-QRVBRYPASA-N 2 2 395.469 3.585 20 0 GHADLP O=C1CCCN1C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000166170125 858502790 /nfs/dbraw/zinc/50/27/90/858502790.db2.gz FZOQNLMJLHROMI-QRVBRYPASA-N 2 2 395.469 3.585 20 0 GHADLP CC(C)[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000115834546 858684917 /nfs/dbraw/zinc/68/49/17/858684917.db2.gz WIMFLCPWHFRSOM-FQEVSTJZSA-N 2 2 394.991 3.705 20 0 GHADLP CC(C)[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000115834546 858684919 /nfs/dbraw/zinc/68/49/19/858684919.db2.gz WIMFLCPWHFRSOM-FQEVSTJZSA-N 2 2 394.991 3.705 20 0 GHADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000183349350 858724712 /nfs/dbraw/zinc/72/47/12/858724712.db2.gz JQHFAGPYUSTOBQ-IBGZPJMESA-N 2 2 396.531 3.596 20 0 GHADLP CN(C(=O)c1ccnc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183667405 858790732 /nfs/dbraw/zinc/79/07/32/858790732.db2.gz PHHKHMQPHJGOSD-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccnc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183667405 858790736 /nfs/dbraw/zinc/79/07/36/858790736.db2.gz PHHKHMQPHJGOSD-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429681956 859011234 /nfs/dbraw/zinc/01/12/34/859011234.db2.gz XCGNLVYYHBPGGH-RPWUZVMVSA-N 2 2 394.559 3.993 20 0 GHADLP COc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429681956 859011240 /nfs/dbraw/zinc/01/12/40/859011240.db2.gz XCGNLVYYHBPGGH-RPWUZVMVSA-N 2 2 394.559 3.993 20 0 GHADLP COc1ccccc1C[C@H]1CCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429681956 859011247 /nfs/dbraw/zinc/01/12/47/859011247.db2.gz XCGNLVYYHBPGGH-RPWUZVMVSA-N 2 2 394.559 3.993 20 0 GHADLP COc1ccccc1C[C@H]1CCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429681956 859011255 /nfs/dbraw/zinc/01/12/55/859011255.db2.gz XCGNLVYYHBPGGH-RPWUZVMVSA-N 2 2 394.559 3.993 20 0 GHADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000499705695 859107755 /nfs/dbraw/zinc/10/77/55/859107755.db2.gz PCCBPKSQLBKQCD-JOCHJYFZSA-N 2 2 386.511 3.587 20 0 GHADLP C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000509355704 859160009 /nfs/dbraw/zinc/16/00/09/859160009.db2.gz FGGPPSLAEPUDBF-UHFFFAOYSA-N 2 2 389.446 3.542 20 0 GHADLP C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000509355704 859160014 /nfs/dbraw/zinc/16/00/14/859160014.db2.gz FGGPPSLAEPUDBF-UHFFFAOYSA-N 2 2 389.446 3.542 20 0 GHADLP CN(C(=O)c1cc2c(cccc2Cl)s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477244 859287578 /nfs/dbraw/zinc/28/75/78/859287578.db2.gz HQCGAGVVALKXQP-HNNXBMFYSA-N 2 2 391.968 3.795 20 0 GHADLP CN(C(=O)c1cc2c(cccc2Cl)s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477244 859287588 /nfs/dbraw/zinc/28/75/88/859287588.db2.gz HQCGAGVVALKXQP-HNNXBMFYSA-N 2 2 391.968 3.795 20 0 GHADLP O[C@H](C[NH2+][C@@H]1CCSc2ccc(Cl)cc21)C[N@@H+]1CCc2ccccc2C1 ZINC000195652345 859395702 /nfs/dbraw/zinc/39/57/02/859395702.db2.gz NFKGPAWUEPMZNB-UYAOXDASSA-N 2 2 388.964 3.886 20 0 GHADLP O[C@H](C[NH2+][C@@H]1CCSc2ccc(Cl)cc21)C[N@H+]1CCc2ccccc2C1 ZINC000195652345 859395712 /nfs/dbraw/zinc/39/57/12/859395712.db2.gz NFKGPAWUEPMZNB-UYAOXDASSA-N 2 2 388.964 3.886 20 0 GHADLP O=C(c1ccc(C[NH+]2CCCC2)cc1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000673470414 859460251 /nfs/dbraw/zinc/46/02/51/859460251.db2.gz GYVWRNHHWNLCRU-UHFFFAOYSA-N 2 2 398.576 3.517 20 0 GHADLP COc1ccc(OC)c(C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C2CC2)c1 ZINC000543394737 859553350 /nfs/dbraw/zinc/55/33/50/859553350.db2.gz ZMTXFKAIKHORJL-UHFFFAOYSA-N 2 2 378.476 3.758 20 0 GHADLP COc1ccc(OC)c(C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C2CC2)c1 ZINC000543394737 859553359 /nfs/dbraw/zinc/55/33/59/859553359.db2.gz ZMTXFKAIKHORJL-UHFFFAOYSA-N 2 2 378.476 3.758 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4c(c3)C(C)(C)CCC4(C)C)C2)CC1 ZINC000602196082 859834899 /nfs/dbraw/zinc/83/48/99/859834899.db2.gz QLFQBFHEKXTIFZ-LJQANCHMSA-N 2 2 397.607 3.934 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4c(c3)C(C)(C)CCC4(C)C)C2)CC1 ZINC000602196082 859834909 /nfs/dbraw/zinc/83/49/09/859834909.db2.gz QLFQBFHEKXTIFZ-LJQANCHMSA-N 2 2 397.607 3.934 20 0 GHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000484163260 859855786 /nfs/dbraw/zinc/85/57/86/859855786.db2.gz PZDAJEPCFMDVQS-MDKPJZGXSA-N 2 2 388.939 3.882 20 0 GHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000484163260 859855802 /nfs/dbraw/zinc/85/58/02/859855802.db2.gz PZDAJEPCFMDVQS-MDKPJZGXSA-N 2 2 388.939 3.882 20 0 GHADLP Cc1ccc(Nc2ccccc2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000602199812 859861493 /nfs/dbraw/zinc/86/14/93/859861493.db2.gz APOXWMOHNWZFDM-HXUWFJFHSA-N 2 2 392.547 3.637 20 0 GHADLP Cc1ccc(Nc2ccccc2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000602199812 859861505 /nfs/dbraw/zinc/86/15/05/859861505.db2.gz APOXWMOHNWZFDM-HXUWFJFHSA-N 2 2 392.547 3.637 20 0 GHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000765248514 859865099 /nfs/dbraw/zinc/86/50/99/859865099.db2.gz FCTJHQKMYDIQNN-IBGZPJMESA-N 2 2 388.943 3.846 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000474383723 859972571 /nfs/dbraw/zinc/97/25/71/859972571.db2.gz DWTIXIQYRHWBCK-UHFFFAOYSA-N 2 2 398.457 3.535 20 0 GHADLP CCC[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000474428542 860086441 /nfs/dbraw/zinc/08/64/41/860086441.db2.gz UVQFUGJEMIDURS-KRWDZBQOSA-N 2 2 384.351 3.953 20 0 GHADLP CN(C)c1nc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c(Cl)n1-c1ccccc1 ZINC000727643772 860173711 /nfs/dbraw/zinc/17/37/11/860173711.db2.gz KCEACDXVPYDKFH-UHFFFAOYSA-N 2 2 397.954 3.943 20 0 GHADLP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000191837402 860374776 /nfs/dbraw/zinc/37/47/76/860374776.db2.gz QVGNRQCNBXCAAX-RBUKOAKNSA-N 2 2 385.577 3.964 20 0 GHADLP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000191837402 860374784 /nfs/dbraw/zinc/37/47/84/860374784.db2.gz QVGNRQCNBXCAAX-RBUKOAKNSA-N 2 2 385.577 3.964 20 0 GHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1ccccc1-n1cc[nH+]c1)[NH+](C)C ZINC000484891505 860456992 /nfs/dbraw/zinc/45/69/92/860456992.db2.gz QNQWZXUQHALLFM-AVRDEDQJSA-N 2 2 391.519 3.671 20 0 GHADLP Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]CCn1cc[nH+]c1 ZINC000061014620 860551740 /nfs/dbraw/zinc/55/17/40/860551740.db2.gz BIGWDNUFBTVYEG-UHFFFAOYSA-N 2 2 383.805 3.839 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481321417 861038284 /nfs/dbraw/zinc/03/82/84/861038284.db2.gz OTZMXNNJMITKFD-PXDATVDWSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481321417 861038306 /nfs/dbraw/zinc/03/83/06/861038306.db2.gz OTZMXNNJMITKFD-PXDATVDWSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000482543274 863300141 /nfs/dbraw/zinc/30/01/41/863300141.db2.gz LFTXWKOMAXBYCI-RYUDHWBXSA-N 2 2 392.758 3.885 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000482543274 863300153 /nfs/dbraw/zinc/30/01/53/863300153.db2.gz LFTXWKOMAXBYCI-RYUDHWBXSA-N 2 2 392.758 3.885 20 0 GHADLP COCCC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000281898858 863459471 /nfs/dbraw/zinc/45/94/71/863459471.db2.gz HQAVWNGTACXZAF-QHCPKHFHSA-N 2 2 386.511 3.915 20 0 GHADLP Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000606435022 863612405 /nfs/dbraw/zinc/61/24/05/863612405.db2.gz YZWAWFDWPMEKPG-UXHICEINSA-N 2 2 397.588 3.579 20 0 GHADLP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000606435022 863612411 /nfs/dbraw/zinc/61/24/11/863612411.db2.gz YZWAWFDWPMEKPG-UXHICEINSA-N 2 2 397.588 3.579 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000158648743 863900714 /nfs/dbraw/zinc/90/07/14/863900714.db2.gz GAHYVKAECFRKCI-VJBMBRPKSA-N 2 2 393.531 3.791 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000158648743 863900733 /nfs/dbraw/zinc/90/07/33/863900733.db2.gz GAHYVKAECFRKCI-VJBMBRPKSA-N 2 2 393.531 3.791 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000158648743 863900752 /nfs/dbraw/zinc/90/07/52/863900752.db2.gz GAHYVKAECFRKCI-VJBMBRPKSA-N 2 2 393.531 3.791 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000158648743 863900768 /nfs/dbraw/zinc/90/07/68/863900768.db2.gz GAHYVKAECFRKCI-VJBMBRPKSA-N 2 2 393.531 3.791 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)CC[N@@H+]1Cc1ccccc1 ZINC000172830997 863991874 /nfs/dbraw/zinc/99/18/74/863991874.db2.gz MIIRBXWCQGIREC-UEVCKROQSA-N 2 2 393.531 3.997 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)CC[N@H+]1Cc1ccccc1 ZINC000172830997 863991881 /nfs/dbraw/zinc/99/18/81/863991881.db2.gz MIIRBXWCQGIREC-UEVCKROQSA-N 2 2 393.531 3.997 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000172830997 863991889 /nfs/dbraw/zinc/99/18/89/863991889.db2.gz MIIRBXWCQGIREC-UEVCKROQSA-N 2 2 393.531 3.997 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000172830997 863991899 /nfs/dbraw/zinc/99/18/99/863991899.db2.gz MIIRBXWCQGIREC-UEVCKROQSA-N 2 2 393.531 3.997 20 0 GHADLP Cc1c(F)cccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000120778826 881720400 /nfs/dbraw/zinc/72/04/00/881720400.db2.gz JEOAQZWUQDSQTE-SFTDATJTSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1c(F)cccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000120778826 881720419 /nfs/dbraw/zinc/72/04/19/881720419.db2.gz JEOAQZWUQDSQTE-SFTDATJTSA-N 2 2 390.547 3.935 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)NCc2ccn3cc[nH+]c3c2)CCCC1)c1ccccc1 ZINC000475092577 864144872 /nfs/dbraw/zinc/14/48/72/864144872.db2.gz DWZGMJRNZOPVRW-SFHVURJKSA-N 2 2 391.519 3.797 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C3(c4ccccc4)CC[NH2+]CC3)n2)C1 ZINC000621525926 864226305 /nfs/dbraw/zinc/22/63/05/864226305.db2.gz VCOYPPMXNQLPSA-KRWDZBQOSA-N 2 2 398.576 3.635 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C3(c4ccccc4)CC[NH2+]CC3)n2)C1 ZINC000621525926 864226315 /nfs/dbraw/zinc/22/63/15/864226315.db2.gz VCOYPPMXNQLPSA-KRWDZBQOSA-N 2 2 398.576 3.635 20 0 GHADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480303041 864447604 /nfs/dbraw/zinc/44/76/04/864447604.db2.gz ZVJJEOLBRYRSBL-RTBURBONSA-N 2 2 376.447 3.692 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000842157620 864518744 /nfs/dbraw/zinc/51/87/44/864518744.db2.gz HVXWVMASWCOMKO-SFHVURJKSA-N 2 2 384.568 3.610 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000163698082 864553329 /nfs/dbraw/zinc/55/33/29/864553329.db2.gz ZWJVQYDRGQWMHQ-KRWDZBQOSA-N 2 2 393.531 3.599 20 0 GHADLP CN(C(=O)Nc1ccc(F)cc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165547868 864683243 /nfs/dbraw/zinc/68/32/43/864683243.db2.gz VXABPPFMGSAULH-PMACEKPBSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1ccc(F)cc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165547868 864683246 /nfs/dbraw/zinc/68/32/46/864683246.db2.gz VXABPPFMGSAULH-PMACEKPBSA-N 2 2 394.510 3.766 20 0 GHADLP Cc1c([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)nnn1-c1ccc(F)cc1 ZINC000120926678 881804243 /nfs/dbraw/zinc/80/42/43/881804243.db2.gz ZTMCNGVHQYWNBA-CQSZACIVSA-N 2 2 385.462 3.766 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(CC[NH+](C)C)C3CCCC3)n2)C1 ZINC000532327485 881804225 /nfs/dbraw/zinc/80/42/25/881804225.db2.gz SFWZEKQLEDSOIB-INIZCTEOSA-N 2 2 393.601 3.713 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(CC[NH+](C)C)C3CCCC3)n2)C1 ZINC000532327485 881804241 /nfs/dbraw/zinc/80/42/41/881804241.db2.gz SFWZEKQLEDSOIB-INIZCTEOSA-N 2 2 393.601 3.713 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)([NH+]2CCCCC2)CC1 ZINC000607944822 864878799 /nfs/dbraw/zinc/87/87/99/864878799.db2.gz NKQAIJPDBQEAFN-UHFFFAOYSA-N 2 2 388.943 3.501 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000168346913 864907618 /nfs/dbraw/zinc/90/76/18/864907618.db2.gz KSYAYSDDCYXVHV-KDOFPFPSSA-N 2 2 379.426 3.822 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000168346913 864907631 /nfs/dbraw/zinc/90/76/31/864907631.db2.gz KSYAYSDDCYXVHV-KDOFPFPSSA-N 2 2 379.426 3.822 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608069294 864960624 /nfs/dbraw/zinc/96/06/24/864960624.db2.gz AVXXZPFXIBMLTC-GOSISDBHSA-N 2 2 381.476 3.520 20 0 GHADLP CCOc1c(OC)cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1OC ZINC000608074450 864964912 /nfs/dbraw/zinc/96/49/12/864964912.db2.gz RZNIFBHYHNTTOO-LJQANCHMSA-N 2 2 395.503 3.910 20 0 GHADLP CN(C(=O)C1CCC(c2ccccc2)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608133192 865047829 /nfs/dbraw/zinc/04/78/29/865047829.db2.gz GPNUESKJYSXOBC-YDPRHXJPSA-N 2 2 383.580 3.587 20 0 GHADLP CN(C(=O)C1CCC(c2ccccc2)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608133192 865047835 /nfs/dbraw/zinc/04/78/35/865047835.db2.gz GPNUESKJYSXOBC-YDPRHXJPSA-N 2 2 383.580 3.587 20 0 GHADLP Cc1ccc(N2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc1 ZINC001168064957 865048087 /nfs/dbraw/zinc/04/80/87/865048087.db2.gz SUQBBQKJDAKWCV-IUTQVRIDSA-N 2 2 378.564 3.954 20 0 GHADLP Cc1ccc(N2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc1 ZINC001168064957 865048097 /nfs/dbraw/zinc/04/80/97/865048097.db2.gz SUQBBQKJDAKWCV-IUTQVRIDSA-N 2 2 378.564 3.954 20 0 GHADLP FC(F)(F)c1cccc(Cn2cncc2C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168364370 865243585 /nfs/dbraw/zinc/24/35/85/865243585.db2.gz CAECKYLAYYVFLR-UHFFFAOYSA-N 2 2 392.469 3.914 20 0 GHADLP COc1ccc([C@@H](CNc2cc[nH+]c3cc(F)ccc23)[NH+]2CCOCC2)cc1 ZINC000301285177 865263364 /nfs/dbraw/zinc/26/33/64/865263364.db2.gz RFWZGDMPPUMKAM-JOCHJYFZSA-N 2 2 381.451 3.868 20 0 GHADLP COc1ccc(OC)c([C@H](O)C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000738333364 865519345 /nfs/dbraw/zinc/51/93/45/865519345.db2.gz UWSJGJGQNJCEAJ-GREBRCKQSA-N 2 2 398.547 3.722 20 0 GHADLP COc1ccc(OC)c([C@H](O)C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000738333364 865519352 /nfs/dbraw/zinc/51/93/52/865519352.db2.gz UWSJGJGQNJCEAJ-GREBRCKQSA-N 2 2 398.547 3.722 20 0 GHADLP COc1ccc(OC)c([C@H](O)C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000738333364 865519357 /nfs/dbraw/zinc/51/93/57/865519357.db2.gz UWSJGJGQNJCEAJ-GREBRCKQSA-N 2 2 398.547 3.722 20 0 GHADLP COc1ccc(OC)c([C@H](O)C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000738333364 865519363 /nfs/dbraw/zinc/51/93/63/865519363.db2.gz UWSJGJGQNJCEAJ-GREBRCKQSA-N 2 2 398.547 3.722 20 0 GHADLP Cc1nc(C[NH+]2CCC(CNc3[nH+]cnc4c3cnn4C(C)(C)C)CC2)oc1C ZINC000301874437 865580676 /nfs/dbraw/zinc/58/06/76/865580676.db2.gz LXKYOIWDPUEIFN-UHFFFAOYSA-N 2 2 397.527 3.510 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC4(CC3)OCc3ccccc34)C2)cc1 ZINC000671241673 865717745 /nfs/dbraw/zinc/71/77/45/865717745.db2.gz HXQZDJKQYHATAD-QHCPKHFHSA-N 2 2 392.543 3.799 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC4(CC3)OCc3ccccc34)C2)cc1 ZINC000671241673 865717752 /nfs/dbraw/zinc/71/77/52/865717752.db2.gz HXQZDJKQYHATAD-QHCPKHFHSA-N 2 2 392.543 3.799 20 0 GHADLP C[C@H](c1nc2ccccc2o1)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000481104227 865831685 /nfs/dbraw/zinc/83/16/85/865831685.db2.gz IHQIPXVEGLHMOX-LJQANCHMSA-N 2 2 378.520 3.638 20 0 GHADLP C[C@H](c1nc2ccccc2o1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000481104227 865831699 /nfs/dbraw/zinc/83/16/99/865831699.db2.gz IHQIPXVEGLHMOX-LJQANCHMSA-N 2 2 378.520 3.638 20 0 GHADLP CSc1cccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481181298 865940005 /nfs/dbraw/zinc/94/00/05/865940005.db2.gz YWIKICOFMNOWAP-LAUBAEHRSA-N 2 2 383.561 3.847 20 0 GHADLP CSc1cccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481181298 865940017 /nfs/dbraw/zinc/94/00/17/865940017.db2.gz YWIKICOFMNOWAP-LAUBAEHRSA-N 2 2 383.561 3.847 20 0 GHADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000175008885 865964727 /nfs/dbraw/zinc/96/47/27/865964727.db2.gz IFRVBIQHZDYNPP-CVEARBPZSA-N 2 2 377.330 3.802 20 0 GHADLP CC(C)[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508617108 882003093 /nfs/dbraw/zinc/00/30/93/882003093.db2.gz XITFAAWFZIDQIL-XQBPLPMBSA-N 2 2 387.568 3.745 20 0 GHADLP CC(C)[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508617108 882003113 /nfs/dbraw/zinc/00/31/13/882003113.db2.gz XITFAAWFZIDQIL-XQBPLPMBSA-N 2 2 387.568 3.745 20 0 GHADLP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000620550057 866849333 /nfs/dbraw/zinc/84/93/33/866849333.db2.gz FRAMFZCKZWDOOH-MAUKXSAKSA-N 2 2 398.954 3.646 20 0 GHADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534599353 867110305 /nfs/dbraw/zinc/11/03/05/867110305.db2.gz ALNMDVXOZVKIJD-ZWKOTPCHSA-N 2 2 393.535 3.844 20 0 GHADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534599353 867110314 /nfs/dbraw/zinc/11/03/14/867110314.db2.gz ALNMDVXOZVKIJD-ZWKOTPCHSA-N 2 2 393.535 3.844 20 0 GHADLP COc1cc2c(cc1C[NH2+]C1CCN(c3ccc([NH+](C)C)cc3)CC1)O[C@H](C)C2 ZINC000742378752 867270620 /nfs/dbraw/zinc/27/06/20/867270620.db2.gz XZGGDTOCOXVUMP-QGZVFWFLSA-N 2 2 395.547 3.843 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2c(C)cc(Br)cc2C)CC1 ZINC000553428114 867417832 /nfs/dbraw/zinc/41/78/32/867417832.db2.gz ZZPDJCCDCMQTGK-UHFFFAOYSA-N 2 2 397.357 3.573 20 0 GHADLP Cc1ccc([C@@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C2CCCCC2)cc1 ZINC000479259769 867448364 /nfs/dbraw/zinc/44/83/64/867448364.db2.gz QRYRLNNZRKVWFW-DEOSSOPVSA-N 2 2 387.612 3.596 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Br)cn1 ZINC000479329151 867574094 /nfs/dbraw/zinc/57/40/94/867574094.db2.gz GDRGGVJCYSTCNB-HNNXBMFYSA-N 2 2 390.325 3.527 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000920425122 882103681 /nfs/dbraw/zinc/10/36/81/882103681.db2.gz FBDIINNWRKFFJR-SFHVURJKSA-N 2 2 379.357 3.853 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(Br)c2OC(F)F)CC[N@@H+]1C ZINC000154961062 867683030 /nfs/dbraw/zinc/68/30/30/867683030.db2.gz YKOJWXPRFLACTP-YPMHNXCESA-N 2 2 377.273 3.965 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(Br)c2OC(F)F)CC[N@H+]1C ZINC000154961062 867683041 /nfs/dbraw/zinc/68/30/41/867683041.db2.gz YKOJWXPRFLACTP-YPMHNXCESA-N 2 2 377.273 3.965 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(Br)c2OC(F)F)CC[NH+]1C ZINC000154961062 867683048 /nfs/dbraw/zinc/68/30/48/867683048.db2.gz YKOJWXPRFLACTP-YPMHNXCESA-N 2 2 377.273 3.965 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(Br)c2OC(F)F)CC[NH+]1C ZINC000154961062 867683055 /nfs/dbraw/zinc/68/30/55/867683055.db2.gz YKOJWXPRFLACTP-YPMHNXCESA-N 2 2 377.273 3.965 20 0 GHADLP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(OC)c1 ZINC000155155340 867775315 /nfs/dbraw/zinc/77/53/15/867775315.db2.gz BDZRAUZQUAHNHK-HSZRJFAPSA-N 2 2 384.520 3.647 20 0 GHADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000479477826 867839533 /nfs/dbraw/zinc/83/95/33/867839533.db2.gz DTANUUPNTRAXSC-VFPGXZCRSA-N 2 2 384.490 3.841 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnnn2Cc2ccccc2)CC1 ZINC000491234229 867884856 /nfs/dbraw/zinc/88/48/56/867884856.db2.gz FOTWGDRVRWKBDJ-IBGZPJMESA-N 2 2 375.520 3.642 20 0 GHADLP CN(C(=O)c1cnc2ccccc2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000457655666 868583681 /nfs/dbraw/zinc/58/36/81/868583681.db2.gz BSNHLTGFLDAAFL-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cnc2ccccc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000457655666 868583684 /nfs/dbraw/zinc/58/36/84/868583684.db2.gz BSNHLTGFLDAAFL-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157223555 868595715 /nfs/dbraw/zinc/59/57/15/868595715.db2.gz HAUDDAWNZLLKIE-OTWHNJEPSA-N 2 2 391.519 3.732 20 0 GHADLP CC[C@@H](c1nn(C[N@H+](C)CC(C)C)c(=S)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000744151455 868626472 /nfs/dbraw/zinc/62/64/72/868626472.db2.gz CMSMGALDXIIXEM-SFHVURJKSA-N 2 2 391.585 3.970 20 0 GHADLP CC[C@@H](c1nn(C[N@@H+](C)CC(C)C)c(=S)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000744151455 868626479 /nfs/dbraw/zinc/62/64/79/868626479.db2.gz CMSMGALDXIIXEM-SFHVURJKSA-N 2 2 391.585 3.970 20 0 GHADLP Brc1cc(Br)cc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000394573641 882258009 /nfs/dbraw/zinc/25/80/09/882258009.db2.gz PQMIOMRTUYGNCV-UHFFFAOYSA-N 2 2 387.119 3.978 20 0 GHADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000133646044 882320097 /nfs/dbraw/zinc/32/00/97/882320097.db2.gz IMLQAVDGHNPRKK-JTNHKYCSSA-N 2 2 377.273 3.869 20 0 GHADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000133646044 882320112 /nfs/dbraw/zinc/32/01/12/882320112.db2.gz IMLQAVDGHNPRKK-JTNHKYCSSA-N 2 2 377.273 3.869 20 0 GHADLP O[C@@]1(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000539949881 870061400 /nfs/dbraw/zinc/06/14/00/870061400.db2.gz FDHHTUQSMJDWSS-HSZRJFAPSA-N 2 2 399.966 3.667 20 0 GHADLP O[C@@]1(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000539949881 870061412 /nfs/dbraw/zinc/06/14/12/870061412.db2.gz FDHHTUQSMJDWSS-HSZRJFAPSA-N 2 2 399.966 3.667 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000247964486 870247373 /nfs/dbraw/zinc/24/73/73/870247373.db2.gz GPZCADAIKVTKFS-OXQOHEQNSA-N 2 2 388.353 3.887 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000247964486 870247390 /nfs/dbraw/zinc/24/73/90/870247390.db2.gz GPZCADAIKVTKFS-OXQOHEQNSA-N 2 2 388.353 3.887 20 0 GHADLP C[C@H](c1cc2ccccc2o1)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000248033552 870266080 /nfs/dbraw/zinc/26/60/80/870266080.db2.gz UHBBYWLCRWPMAJ-GOSISDBHSA-N 2 2 392.503 3.560 20 0 GHADLP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000248033552 870266085 /nfs/dbraw/zinc/26/60/85/870266085.db2.gz UHBBYWLCRWPMAJ-GOSISDBHSA-N 2 2 392.503 3.560 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc2c(c1)CCCC2 ZINC000525274743 870306434 /nfs/dbraw/zinc/30/64/34/870306434.db2.gz BUKZIFOCAWEMDT-SLFFLAALSA-N 2 2 383.580 3.549 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc2c(c1)CCCC2 ZINC000525274743 870306446 /nfs/dbraw/zinc/30/64/46/870306446.db2.gz BUKZIFOCAWEMDT-SLFFLAALSA-N 2 2 383.580 3.549 20 0 GHADLP CSc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248386333 870353646 /nfs/dbraw/zinc/35/36/46/870353646.db2.gz MDOAQWDFZWPXPI-VQTJNVASSA-N 2 2 389.609 3.818 20 0 GHADLP CSc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248386333 870353763 /nfs/dbraw/zinc/35/37/63/870353763.db2.gz MDOAQWDFZWPXPI-VQTJNVASSA-N 2 2 389.609 3.818 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000462909382 870364875 /nfs/dbraw/zinc/36/48/75/870364875.db2.gz MGGJWYOCUFTGRJ-AWEZNQCLSA-N 2 2 388.430 3.653 20 0 GHADLP C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540143847 870593438 /nfs/dbraw/zinc/59/34/38/870593438.db2.gz LADSBGALTFKESK-FSJXIACGSA-N 2 2 396.441 3.773 20 0 GHADLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000248717741 870604742 /nfs/dbraw/zinc/60/47/42/870604742.db2.gz NYASHYHWZREBJP-FHLIZLRMSA-N 2 2 392.425 3.590 20 0 GHADLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000248717741 870604747 /nfs/dbraw/zinc/60/47/47/870604747.db2.gz NYASHYHWZREBJP-FHLIZLRMSA-N 2 2 392.425 3.590 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Br ZINC000538799294 870629780 /nfs/dbraw/zinc/62/97/80/870629780.db2.gz XKXAZJYNTPXEPI-YJBOKZPZSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Br ZINC000538799294 870629785 /nfs/dbraw/zinc/62/97/85/870629785.db2.gz XKXAZJYNTPXEPI-YJBOKZPZSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC000538799294 870629796 /nfs/dbraw/zinc/62/97/96/870629796.db2.gz XKXAZJYNTPXEPI-YJBOKZPZSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Br ZINC000538799294 870629803 /nfs/dbraw/zinc/62/98/03/870629803.db2.gz XKXAZJYNTPXEPI-YJBOKZPZSA-N 2 2 379.342 3.906 20 0 GHADLP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1)CC(C)C ZINC000540198801 870707426 /nfs/dbraw/zinc/70/74/26/870707426.db2.gz ZKGKTOBSJQGDGH-UHFFFAOYSA-N 2 2 381.511 3.983 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1)CC(C)C ZINC000540198801 870707437 /nfs/dbraw/zinc/70/74/37/870707437.db2.gz ZKGKTOBSJQGDGH-UHFFFAOYSA-N 2 2 381.511 3.983 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000249136938 870771505 /nfs/dbraw/zinc/77/15/05/870771505.db2.gz XBBJXFMRXRFIQP-WZONZLPQSA-N 2 2 398.982 3.593 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000249136938 870771511 /nfs/dbraw/zinc/77/15/11/870771511.db2.gz XBBJXFMRXRFIQP-WZONZLPQSA-N 2 2 398.982 3.593 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](CCCCCn3c(C)nc4ccccc43)CC2)c1 ZINC000463074484 870836316 /nfs/dbraw/zinc/83/63/16/870836316.db2.gz FMNWOVSXVBLFPS-UHFFFAOYSA-N 2 2 393.535 3.741 20 0 GHADLP C[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001168825678 870880392 /nfs/dbraw/zinc/88/03/92/870880392.db2.gz UDAZIUVIHXAOLP-JBACZVJFSA-N 2 2 387.568 3.681 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(OCC4CC4)nc3)CC2)cc1 ZINC000463107413 870898573 /nfs/dbraw/zinc/89/85/73/870898573.db2.gz CXMSXIKCEBEXAP-UHFFFAOYSA-N 2 2 383.511 3.806 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168852860 870906889 /nfs/dbraw/zinc/90/68/89/870906889.db2.gz YDIIILOGYXYDFY-MJGOQNOKSA-N 2 2 377.573 3.725 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168852860 870906909 /nfs/dbraw/zinc/90/69/09/870906909.db2.gz YDIIILOGYXYDFY-MJGOQNOKSA-N 2 2 377.573 3.725 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CN1Cc1ccccc1 ZINC000766574578 871161137 /nfs/dbraw/zinc/16/11/37/871161137.db2.gz HDBVXCBTDYQPOM-NZQKXSOJSA-N 2 2 392.591 3.974 20 0 GHADLP C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C[NH+]1CCCCC1 ZINC000133840562 882486447 /nfs/dbraw/zinc/48/64/47/882486447.db2.gz FUUGHOSYAHSCLI-BVYCBKJFSA-N 2 2 395.551 3.533 20 0 GHADLP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539084163 871229995 /nfs/dbraw/zinc/22/99/95/871229995.db2.gz LYCMBZFALIOAIV-YWZLYKJASA-N 2 2 380.879 3.982 20 0 GHADLP CC[N@@H+](Cc1csc(-c2ncccn2)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000525781016 871428835 /nfs/dbraw/zinc/42/88/35/871428835.db2.gz HIPHVNJWTKRIEX-UHFFFAOYSA-N 2 2 394.548 3.734 20 0 GHADLP CC[N@H+](Cc1csc(-c2ncccn2)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000525781016 871428843 /nfs/dbraw/zinc/42/88/43/871428843.db2.gz HIPHVNJWTKRIEX-UHFFFAOYSA-N 2 2 394.548 3.734 20 0 GHADLP CCC[N@@H+](Cc1cc(C)c(C)cc1I)C[C@H]1CC[NH2+]C1 ZINC001236842582 871482309 /nfs/dbraw/zinc/48/23/09/871482309.db2.gz FSOHYUOOOLQWIA-HNNXBMFYSA-N 2 2 386.321 3.730 20 0 GHADLP CCC[N@H+](Cc1cc(C)c(C)cc1I)C[C@H]1CC[NH2+]C1 ZINC001236842582 871482316 /nfs/dbraw/zinc/48/23/16/871482316.db2.gz FSOHYUOOOLQWIA-HNNXBMFYSA-N 2 2 386.321 3.730 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1 ZINC000525821721 871496524 /nfs/dbraw/zinc/49/65/24/871496524.db2.gz KQBSVBVABFZMMR-UHFFFAOYSA-N 2 2 376.504 3.953 20 0 GHADLP Cc1cc(Br)cc2cc([C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)C)oc21 ZINC000540645687 871831852 /nfs/dbraw/zinc/83/18/52/871831852.db2.gz FGPVAQCXHOJLEE-WBVHZDCISA-N 2 2 383.330 3.713 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1CC[NH+]([C@H](C)c3ccccc3)CC1)C2 ZINC000526004536 871929391 /nfs/dbraw/zinc/92/93/91/871929391.db2.gz XXDYDSJYGVMHDF-MJGOQNOKSA-N 2 2 394.563 3.980 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1CC[NH+]([C@H](C)c3ccccc3)CC1)CC2 ZINC000526004536 871929409 /nfs/dbraw/zinc/92/94/09/871929409.db2.gz XXDYDSJYGVMHDF-MJGOQNOKSA-N 2 2 394.563 3.980 20 0 GHADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC(=O)N(C)C)CCC2 ZINC000552097105 872055064 /nfs/dbraw/zinc/05/50/64/872055064.db2.gz SZDCVMQCILTKJC-ZYJGPIPZSA-N 2 2 383.580 3.861 20 0 GHADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC(=O)N(C)C)CCC2 ZINC000552097105 872055087 /nfs/dbraw/zinc/05/50/87/872055087.db2.gz SZDCVMQCILTKJC-ZYJGPIPZSA-N 2 2 383.580 3.861 20 0 GHADLP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(OC)c1OC ZINC000093336796 872091424 /nfs/dbraw/zinc/09/14/24/872091424.db2.gz UIYDDXNTRJZSIX-LJQANCHMSA-N 2 2 384.520 3.666 20 0 GHADLP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(OC)c1OC ZINC000093336796 872091450 /nfs/dbraw/zinc/09/14/50/872091450.db2.gz UIYDDXNTRJZSIX-LJQANCHMSA-N 2 2 384.520 3.666 20 0 GHADLP COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000093336796 872091464 /nfs/dbraw/zinc/09/14/64/872091464.db2.gz UIYDDXNTRJZSIX-LJQANCHMSA-N 2 2 384.520 3.666 20 0 GHADLP COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000093336796 872091475 /nfs/dbraw/zinc/09/14/75/872091475.db2.gz UIYDDXNTRJZSIX-LJQANCHMSA-N 2 2 384.520 3.666 20 0 GHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000447732831 872217033 /nfs/dbraw/zinc/21/70/33/872217033.db2.gz YGCGUDOQIGAVRK-FQEVSTJZSA-N 2 2 383.536 3.833 20 0 GHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000447732831 872217048 /nfs/dbraw/zinc/21/70/48/872217048.db2.gz YGCGUDOQIGAVRK-FQEVSTJZSA-N 2 2 383.536 3.833 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000447732831 872217068 /nfs/dbraw/zinc/21/70/68/872217068.db2.gz YGCGUDOQIGAVRK-FQEVSTJZSA-N 2 2 383.536 3.833 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000447732831 872217085 /nfs/dbraw/zinc/21/70/85/872217085.db2.gz YGCGUDOQIGAVRK-FQEVSTJZSA-N 2 2 383.536 3.833 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[N@@H+]1Cc1ccccc1 ZINC000182415842 872334879 /nfs/dbraw/zinc/33/48/79/872334879.db2.gz LZBCUUDVJNCJAG-XLIONFOSSA-N 2 2 392.499 3.984 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[N@H+]1Cc1ccccc1 ZINC000182415842 872334889 /nfs/dbraw/zinc/33/48/89/872334889.db2.gz LZBCUUDVJNCJAG-XLIONFOSSA-N 2 2 392.499 3.984 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[NH+]1Cc1ccccc1 ZINC000182415842 872334910 /nfs/dbraw/zinc/33/49/10/872334910.db2.gz LZBCUUDVJNCJAG-XLIONFOSSA-N 2 2 392.499 3.984 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[NH+]1Cc1ccccc1 ZINC000182415842 872334931 /nfs/dbraw/zinc/33/49/31/872334931.db2.gz LZBCUUDVJNCJAG-XLIONFOSSA-N 2 2 392.499 3.984 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000447813957 872345731 /nfs/dbraw/zinc/34/57/31/872345731.db2.gz YBVAFISKZAINMW-RTBURBONSA-N 2 2 380.621 3.506 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000447813957 872345752 /nfs/dbraw/zinc/34/57/52/872345752.db2.gz YBVAFISKZAINMW-RTBURBONSA-N 2 2 380.621 3.506 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC000527013378 872471761 /nfs/dbraw/zinc/47/17/61/872471761.db2.gz OHAZLBWAEOYTJL-SXLOBPIMSA-N 2 2 394.563 3.807 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC000527013378 872471775 /nfs/dbraw/zinc/47/17/75/872471775.db2.gz OHAZLBWAEOYTJL-SXLOBPIMSA-N 2 2 394.563 3.807 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000527013378 872471783 /nfs/dbraw/zinc/47/17/83/872471783.db2.gz OHAZLBWAEOYTJL-SXLOBPIMSA-N 2 2 394.563 3.807 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000527013378 872471793 /nfs/dbraw/zinc/47/17/93/872471793.db2.gz OHAZLBWAEOYTJL-SXLOBPIMSA-N 2 2 394.563 3.807 20 0 GHADLP C[C@H](c1nnc(SCCC[NH+]2CCCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000191803298 882619638 /nfs/dbraw/zinc/61/96/38/882619638.db2.gz STBBSXUKOPSCTF-MRXNPFEDSA-N 2 2 391.560 3.997 20 0 GHADLP C[NH+]1CCN(CCCC[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000540920928 872509884 /nfs/dbraw/zinc/50/98/84/872509884.db2.gz QNGOZFWBWCLDBV-QHCPKHFHSA-N 2 2 378.520 3.534 20 0 GHADLP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)c2ccccc21 ZINC000367396755 872544291 /nfs/dbraw/zinc/54/42/91/872544291.db2.gz MVGKDBBNATZEDH-HSZRJFAPSA-N 2 2 377.532 3.781 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000527263101 872906869 /nfs/dbraw/zinc/90/68/69/872906869.db2.gz SBKDGQSYYANUKN-WOJBJXKFSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000527263101 872906872 /nfs/dbraw/zinc/90/68/72/872906872.db2.gz SBKDGQSYYANUKN-WOJBJXKFSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000527263101 872906877 /nfs/dbraw/zinc/90/68/77/872906877.db2.gz SBKDGQSYYANUKN-WOJBJXKFSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000527263101 872906881 /nfs/dbraw/zinc/90/68/81/872906881.db2.gz SBKDGQSYYANUKN-WOJBJXKFSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC000527263050 872906952 /nfs/dbraw/zinc/90/69/52/872906952.db2.gz BYLIOZHVRDATLD-UXHICEINSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000527263050 872906955 /nfs/dbraw/zinc/90/69/55/872906955.db2.gz BYLIOZHVRDATLD-UXHICEINSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000527263050 872906960 /nfs/dbraw/zinc/90/69/60/872906960.db2.gz BYLIOZHVRDATLD-UXHICEINSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000527263050 872906964 /nfs/dbraw/zinc/90/69/64/872906964.db2.gz BYLIOZHVRDATLD-UXHICEINSA-N 2 2 394.563 3.761 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[NH+](C)C)cc1 ZINC000541184336 873109328 /nfs/dbraw/zinc/10/93/28/873109328.db2.gz YFLSXUACYSQOHQ-JOCHJYFZSA-N 2 2 397.567 3.696 20 0 GHADLP Cc1cc(C)c(CCNC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(C)c1 ZINC000541201406 873126742 /nfs/dbraw/zinc/12/67/42/873126742.db2.gz DZLSTRFJRKAIGP-UHFFFAOYSA-N 2 2 396.579 3.659 20 0 GHADLP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541237356 873199870 /nfs/dbraw/zinc/19/98/70/873199870.db2.gz GZLYDBJCVIMEKF-QHCPKHFHSA-N 2 2 394.563 3.814 20 0 GHADLP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541237356 873199880 /nfs/dbraw/zinc/19/98/80/873199880.db2.gz GZLYDBJCVIMEKF-QHCPKHFHSA-N 2 2 394.563 3.814 20 0 GHADLP Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)o1 ZINC000527578586 873309366 /nfs/dbraw/zinc/30/93/66/873309366.db2.gz WDPGQMIYIVHQIQ-UHFFFAOYSA-N 2 2 392.503 3.785 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3ncc4cccc(OCc5ccccc5)c43)CC[C@H]21 ZINC000768495288 873353429 /nfs/dbraw/zinc/35/34/29/873353429.db2.gz PFIPGZMDTZXYSG-FGZHOGPDSA-N 2 2 390.531 3.989 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ncc4cccc(OCc5ccccc5)c43)CC[C@H]21 ZINC000768495288 873353439 /nfs/dbraw/zinc/35/34/39/873353439.db2.gz PFIPGZMDTZXYSG-FGZHOGPDSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ncc4cccc(OCc5ccccc5)c43)CC[C@H]21 ZINC000768495288 873353451 /nfs/dbraw/zinc/35/34/51/873353451.db2.gz PFIPGZMDTZXYSG-FGZHOGPDSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ncc4cccc(OCc5ccccc5)c43)CC[C@H]21 ZINC000768495288 873353460 /nfs/dbraw/zinc/35/34/60/873353460.db2.gz PFIPGZMDTZXYSG-FGZHOGPDSA-N 2 2 390.531 3.989 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000192057194 882727597 /nfs/dbraw/zinc/72/75/97/882727597.db2.gz JTKLQEBDOFHZJD-HXUWFJFHSA-N 2 2 388.515 3.823 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000192057194 882727608 /nfs/dbraw/zinc/72/76/08/882727608.db2.gz JTKLQEBDOFHZJD-HXUWFJFHSA-N 2 2 388.515 3.823 20 0 GHADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)c(Br)cc2F)CC1 ZINC000527857831 873678534 /nfs/dbraw/zinc/67/85/34/873678534.db2.gz HIGCDZPBXJAMTK-LBPRGKRZSA-N 2 2 391.300 3.879 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1C ZINC000508875245 873815517 /nfs/dbraw/zinc/81/55/17/873815517.db2.gz BRVQHVKLBZCSMB-RXVVDRJESA-N 2 2 398.551 3.848 20 0 GHADLP CCOc1cc2c(cc1OCC)C[N@H+](Cc1cn(-c3cc[nH+]cc3)nc1C)CC2 ZINC000541537193 873828465 /nfs/dbraw/zinc/82/84/65/873828465.db2.gz YHVFTOQYUZTPKP-UHFFFAOYSA-N 2 2 392.503 3.931 20 0 GHADLP CCOc1cc2c(cc1OCC)C[N@@H+](Cc1cn(-c3cc[nH+]cc3)nc1C)CC2 ZINC000541537193 873828484 /nfs/dbraw/zinc/82/84/84/873828484.db2.gz YHVFTOQYUZTPKP-UHFFFAOYSA-N 2 2 392.503 3.931 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccccc2)cs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599233 873919031 /nfs/dbraw/zinc/91/90/31/873919031.db2.gz CIYREHDGKNLRTE-SJLPKXTDSA-N 2 2 398.576 3.991 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccccc2)cs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599233 873919035 /nfs/dbraw/zinc/91/90/35/873919035.db2.gz CIYREHDGKNLRTE-SJLPKXTDSA-N 2 2 398.576 3.991 20 0 GHADLP C[C@H]1c2ccccc2CCN1C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198008535 874159801 /nfs/dbraw/zinc/15/98/01/874159801.db2.gz YBKXEAVUWFZGIM-IBGZPJMESA-N 2 2 379.548 3.830 20 0 GHADLP C[C@H]1c2ccccc2CCN1C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198008535 874159808 /nfs/dbraw/zinc/15/98/08/874159808.db2.gz YBKXEAVUWFZGIM-IBGZPJMESA-N 2 2 379.548 3.830 20 0 GHADLP COc1ccc(C2CCC([NH2+]C[C@@H](O)C[N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000550898329 882801609 /nfs/dbraw/zinc/80/16/09/882801609.db2.gz WSEZEJRAHQUTEI-VZYOYLOZSA-N 2 2 394.559 3.730 20 0 GHADLP COc1ccc(C2CCC([NH2+]C[C@@H](O)C[N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000550898329 882801624 /nfs/dbraw/zinc/80/16/24/882801624.db2.gz WSEZEJRAHQUTEI-VZYOYLOZSA-N 2 2 394.559 3.730 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NCc2nccc3ccccc32)cc1 ZINC001198031519 874189767 /nfs/dbraw/zinc/18/97/67/874189767.db2.gz VXMXUUQIOJKKMQ-UHFFFAOYSA-N 2 2 390.531 3.548 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NCc2nccc3ccccc32)cc1 ZINC001198031519 874189774 /nfs/dbraw/zinc/18/97/74/874189774.db2.gz VXMXUUQIOJKKMQ-UHFFFAOYSA-N 2 2 390.531 3.548 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770002899 874395862 /nfs/dbraw/zinc/39/58/62/874395862.db2.gz BTIMDSDOCOIJED-OALUTQOASA-N 2 2 395.551 3.617 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770002899 874395875 /nfs/dbraw/zinc/39/58/75/874395875.db2.gz BTIMDSDOCOIJED-OALUTQOASA-N 2 2 395.551 3.617 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cncn2-c2cc[nH+]cc2)c1 ZINC001198551261 874497428 /nfs/dbraw/zinc/49/74/28/874497428.db2.gz DCWXYSBBPZFYQK-UHFFFAOYSA-N 2 2 386.459 3.888 20 0 GHADLP CC[N@H+](CCc1nc2ccccc2n1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804254 874518053 /nfs/dbraw/zinc/51/80/53/874518053.db2.gz DTBXMHOWPIQDGG-UHFFFAOYSA-N 2 2 377.536 3.749 20 0 GHADLP CC[N@@H+](CCc1nc2ccccc2n1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804254 874518065 /nfs/dbraw/zinc/51/80/65/874518065.db2.gz DTBXMHOWPIQDGG-UHFFFAOYSA-N 2 2 377.536 3.749 20 0 GHADLP CC[N@H+](CCCOc1ccc2c(c1)OCO2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464812224 874535106 /nfs/dbraw/zinc/53/51/06/874535106.db2.gz USAMMAZLVOGZNV-UHFFFAOYSA-N 2 2 397.519 3.818 20 0 GHADLP CC[N@@H+](CCCOc1ccc2c(c1)OCO2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464812224 874535114 /nfs/dbraw/zinc/53/51/14/874535114.db2.gz USAMMAZLVOGZNV-UHFFFAOYSA-N 2 2 397.519 3.818 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449208087 874588141 /nfs/dbraw/zinc/58/81/41/874588141.db2.gz NYDDKHDJVACNBY-GOSISDBHSA-N 2 2 381.520 3.948 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(N3CCOCC3)n2)CC1 ZINC000449255298 874635221 /nfs/dbraw/zinc/63/52/21/874635221.db2.gz CHLIKSFECBXWFE-UHFFFAOYSA-N 2 2 388.600 3.687 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1CNCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000449480784 874913476 /nfs/dbraw/zinc/91/34/76/874913476.db2.gz ZQLWFOZWKCGOEM-UHFFFAOYSA-N 2 2 375.520 3.720 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1CNCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000449480784 874913485 /nfs/dbraw/zinc/91/34/85/874913485.db2.gz ZQLWFOZWKCGOEM-UHFFFAOYSA-N 2 2 375.520 3.720 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CS[C@H](C(C)C)C3)CC2)cc1 ZINC000449522339 874996175 /nfs/dbraw/zinc/99/61/75/874996175.db2.gz JDFHXSXKJUPXGV-SFTDATJTSA-N 2 2 375.582 3.729 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccnn3C3CCCC3)CC2)cc1 ZINC000449527153 875005947 /nfs/dbraw/zinc/00/59/47/875005947.db2.gz ZYWHWVPZWLECGS-UHFFFAOYSA-N 2 2 395.551 3.711 20 0 GHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000542133166 875030222 /nfs/dbraw/zinc/03/02/22/875030222.db2.gz GAGNWCJJPNOEEH-OALUTQOASA-N 2 2 377.532 3.733 20 0 GHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000542133166 875030233 /nfs/dbraw/zinc/03/02/33/875030233.db2.gz GAGNWCJJPNOEEH-OALUTQOASA-N 2 2 377.532 3.733 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)CC(F)(F)F ZINC001199609156 875075968 /nfs/dbraw/zinc/07/59/68/875075968.db2.gz RSRTVGYZFAKUSL-KGLIPLIRSA-N 2 2 392.466 3.733 20 0 GHADLP Cc1cccc(C(C)(C)C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001199875153 875225056 /nfs/dbraw/zinc/22/50/56/875225056.db2.gz QPJDVRWTSCLKMF-UHFFFAOYSA-N 2 2 382.548 3.773 20 0 GHADLP OC[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1c(F)cccc1Cl ZINC000542304656 875341632 /nfs/dbraw/zinc/34/16/32/875341632.db2.gz XYJVXFSSVYGSIO-CYBMUJFWSA-N 2 2 379.888 3.667 20 0 GHADLP C[NH+]1CCC(CNC(=O)Cc2cc3ccccc3s2)([NH+]2CCCCC2)CC1 ZINC000450018890 875825002 /nfs/dbraw/zinc/82/50/02/875825002.db2.gz SUHAEJDFQQWQTO-UHFFFAOYSA-N 2 2 385.577 3.510 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000858244721 882971281 /nfs/dbraw/zinc/97/12/81/882971281.db2.gz FRLXGSFNORTOJE-KRWDZBQOSA-N 2 2 378.923 3.854 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000858244721 882971293 /nfs/dbraw/zinc/97/12/93/882971293.db2.gz FRLXGSFNORTOJE-KRWDZBQOSA-N 2 2 378.923 3.854 20 0 GHADLP C[NH+]1CCC(CNC(=O)C(C)(C)c2ccccc2Cl)([NH+]2CCCCC2)CC1 ZINC000172749789 875898585 /nfs/dbraw/zinc/89/85/85/875898585.db2.gz QDKGLXWGXYKNNC-UHFFFAOYSA-N 2 2 391.987 3.684 20 0 GHADLP COc1ccc(F)cc1C[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001202101500 876003206 /nfs/dbraw/zinc/00/32/06/876003206.db2.gz IRVCFICUFGXLPF-UHFFFAOYSA-N 2 2 382.382 3.507 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000179432326 882998959 /nfs/dbraw/zinc/99/89/59/882998959.db2.gz RXXBPRKCBCIBCX-NRFANRHFSA-N 2 2 376.504 3.849 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000179432326 882998972 /nfs/dbraw/zinc/99/89/72/882998972.db2.gz RXXBPRKCBCIBCX-NRFANRHFSA-N 2 2 376.504 3.849 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@@H+]1C ZINC000529526899 876289665 /nfs/dbraw/zinc/28/96/65/876289665.db2.gz ANUPFQWVTWGPOG-AAEUAGOBSA-N 2 2 383.359 3.815 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@H+]1C ZINC000529526899 876289674 /nfs/dbraw/zinc/28/96/74/876289674.db2.gz ANUPFQWVTWGPOG-AAEUAGOBSA-N 2 2 383.359 3.815 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(Br)s2)CC[NH+]1C ZINC000529526899 876289682 /nfs/dbraw/zinc/28/96/82/876289682.db2.gz ANUPFQWVTWGPOG-AAEUAGOBSA-N 2 2 383.359 3.815 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc(Br)s2)CC[NH+]1C ZINC000529526899 876289694 /nfs/dbraw/zinc/28/96/94/876289694.db2.gz ANUPFQWVTWGPOG-AAEUAGOBSA-N 2 2 383.359 3.815 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)c1nnnn1-c1ccccc1 ZINC000173921295 876724905 /nfs/dbraw/zinc/72/49/05/876724905.db2.gz FTXBMBAXDZBRLO-LJQANCHMSA-N 2 2 390.535 3.745 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3cc(C)c4ccc(C)cc4[nH+]3)C2)CC1 ZINC000450749382 876851175 /nfs/dbraw/zinc/85/11/75/876851175.db2.gz YDCQIAJTGJWGPN-NRFANRHFSA-N 2 2 394.563 3.622 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(c3cc(C)c4ccc(C)cc4[nH+]3)C2)CC1 ZINC000450749382 876851185 /nfs/dbraw/zinc/85/11/85/876851185.db2.gz YDCQIAJTGJWGPN-NRFANRHFSA-N 2 2 394.563 3.622 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc2c(c1)CCCO2 ZINC000850435648 876919046 /nfs/dbraw/zinc/91/90/46/876919046.db2.gz CBTVNOQSAIWZFF-OFAXGOBFSA-N 2 2 380.532 3.545 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc2c(c1)CCCO2 ZINC000850435648 876919061 /nfs/dbraw/zinc/91/90/61/876919061.db2.gz CBTVNOQSAIWZFF-OFAXGOBFSA-N 2 2 380.532 3.545 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1Cl ZINC000850512933 876983131 /nfs/dbraw/zinc/98/31/31/876983131.db2.gz LNIHIRONBZQERU-KXBFYZLASA-N 2 2 387.911 3.522 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1Cl ZINC000850512933 876983137 /nfs/dbraw/zinc/98/31/37/876983137.db2.gz LNIHIRONBZQERU-KXBFYZLASA-N 2 2 387.911 3.522 20 0 GHADLP COCc1cccc(OCC2(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)CC2)c1 ZINC000477366476 877522089 /nfs/dbraw/zinc/52/20/89/877522089.db2.gz HKUWBUHOKKKJJD-FQEVSTJZSA-N 2 2 381.520 3.821 20 0 GHADLP COCc1cccc(OCC2(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)CC2)c1 ZINC000477366476 877522103 /nfs/dbraw/zinc/52/21/03/877522103.db2.gz HKUWBUHOKKKJJD-FQEVSTJZSA-N 2 2 381.520 3.821 20 0 GHADLP C[C@@H]1Cc2[nH+]cn(CC3(Cn4c[nH+]c5c4C[C@H](C)[C@H](C)C5)COC3)c2C[C@@H]1C ZINC000451344366 877790241 /nfs/dbraw/zinc/79/02/41/877790241.db2.gz QQYLZQOAILALGI-BDXSIMOUSA-N 2 2 382.552 3.538 20 0 GHADLP O=C(C[NH2+]C1(c2ccccc2F)CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000179651923 877802047 /nfs/dbraw/zinc/80/20/47/877802047.db2.gz VELSMLHAPQFSQB-UHFFFAOYSA-N 2 2 399.535 3.592 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1C ZINC000175647007 877820580 /nfs/dbraw/zinc/82/05/80/877820580.db2.gz WESBDXGHXXSYTH-SFHVURJKSA-N 2 2 398.551 3.759 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1C ZINC000175647007 877820600 /nfs/dbraw/zinc/82/06/00/877820600.db2.gz WESBDXGHXXSYTH-SFHVURJKSA-N 2 2 398.551 3.759 20 0 GHADLP Cc1ccc(N2CCC[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2=O)cc1 ZINC000237912564 878316981 /nfs/dbraw/zinc/31/69/81/878316981.db2.gz XEFIPLXNCJSRKK-DEOSSOPVSA-N 2 2 391.559 3.787 20 0 GHADLP CN(C(=O)c1ccc2ncccc2c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245678175 878358980 /nfs/dbraw/zinc/35/89/80/878358980.db2.gz GNRFACRBMFGREE-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccc2ncccc2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245678175 878358995 /nfs/dbraw/zinc/35/89/95/878358995.db2.gz GNRFACRBMFGREE-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP CSc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000245681809 878367978 /nfs/dbraw/zinc/36/79/78/878367978.db2.gz HKUCOXDKQUFMQB-LEWJYISDSA-N 2 2 389.609 3.818 20 0 GHADLP CSc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000245681809 878367988 /nfs/dbraw/zinc/36/79/88/878367988.db2.gz HKUCOXDKQUFMQB-LEWJYISDSA-N 2 2 389.609 3.818 20 0 GHADLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1nc2c(s1)CCCC2 ZINC000537882525 878453131 /nfs/dbraw/zinc/45/31/31/878453131.db2.gz KYVXLKCFTVINTF-XLIONFOSSA-N 2 2 384.593 3.661 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC000176891887 878467452 /nfs/dbraw/zinc/46/74/52/878467452.db2.gz UHTGIMSKWPOEGE-PXNSSMCTSA-N 2 2 396.535 3.511 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000176891887 878467458 /nfs/dbraw/zinc/46/74/58/878467458.db2.gz UHTGIMSKWPOEGE-PXNSSMCTSA-N 2 2 396.535 3.511 20 0 GHADLP O=C1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccccc1 ZINC000245741216 878514969 /nfs/dbraw/zinc/51/49/69/878514969.db2.gz ROOBTWUFIUUCTB-SNJCGAMXSA-N 2 2 375.516 3.577 20 0 GHADLP O=C1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccccc1 ZINC000245741216 878514983 /nfs/dbraw/zinc/51/49/83/878514983.db2.gz ROOBTWUFIUUCTB-SNJCGAMXSA-N 2 2 375.516 3.577 20 0 GHADLP CN(c1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1)C1CC[NH+](C)CC1 ZINC000245805835 878612562 /nfs/dbraw/zinc/61/25/62/878612562.db2.gz YOADCCZQRHITRG-XMMPIXPASA-N 2 2 397.538 3.930 20 0 GHADLP CN(c1ccccc1C[N@H+]1CCO[C@@H](c2cccc(F)c2)C1)C1CC[NH+](C)CC1 ZINC000245805835 878612566 /nfs/dbraw/zinc/61/25/66/878612566.db2.gz YOADCCZQRHITRG-XMMPIXPASA-N 2 2 397.538 3.930 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000542464513 879084716 /nfs/dbraw/zinc/08/47/16/879084716.db2.gz YISNEESAAOBTOK-UHFFFAOYSA-N 2 2 399.901 3.686 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246179513 879127927 /nfs/dbraw/zinc/12/79/27/879127927.db2.gz KBUQOZMVBBHRGM-REWPJTCUSA-N 2 2 399.579 3.557 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246179513 879127931 /nfs/dbraw/zinc/12/79/31/879127931.db2.gz KBUQOZMVBBHRGM-REWPJTCUSA-N 2 2 399.579 3.557 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1c(Cl)cccc1N1CCCC1 ZINC000538305536 879224850 /nfs/dbraw/zinc/22/48/50/879224850.db2.gz RWHRDNPANLEKOB-MAODMQOUSA-N 2 2 377.960 3.624 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1c(Cl)cccc1N1CCCC1 ZINC000538305536 879224860 /nfs/dbraw/zinc/22/48/60/879224860.db2.gz RWHRDNPANLEKOB-MAODMQOUSA-N 2 2 377.960 3.624 20 0 GHADLP CC(C)[NH2+]Cc1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000854146944 879580161 /nfs/dbraw/zinc/58/01/61/879580161.db2.gz NGNODSTYYDMGSA-UHFFFAOYSA-N 2 2 392.503 3.734 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(N2CCCOC2=O)cc1 ZINC000854225228 879643853 /nfs/dbraw/zinc/64/38/53/879643853.db2.gz ZLEKXHMAUDFFPA-NPFVIJTESA-N 2 2 397.494 3.969 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCc3ccccc3OC2)CCOCC1)c1ccccc1 ZINC000493870679 879685055 /nfs/dbraw/zinc/68/50/55/879685055.db2.gz FXYUGICEDADPDE-UGKGYDQZSA-N 2 2 380.532 3.870 20 0 GHADLP Cc1nn(C)c2ncc(C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc12 ZINC000246921633 879852214 /nfs/dbraw/zinc/85/22/14/879852214.db2.gz DBAVXFVBAWJHEA-LAUBAEHRSA-N 2 2 377.536 3.762 20 0 GHADLP Cc1nn(C)c2ncc(C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cc12 ZINC000246921633 879852227 /nfs/dbraw/zinc/85/22/27/879852227.db2.gz DBAVXFVBAWJHEA-LAUBAEHRSA-N 2 2 377.536 3.762 20 0 GHADLP Cc1nn(C)c2ncc(C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cc12 ZINC000246921633 879852239 /nfs/dbraw/zinc/85/22/39/879852239.db2.gz DBAVXFVBAWJHEA-LAUBAEHRSA-N 2 2 377.536 3.762 20 0 GHADLP Cc1nn(C)c2ncc(C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cc12 ZINC000246921633 879852251 /nfs/dbraw/zinc/85/22/51/879852251.db2.gz DBAVXFVBAWJHEA-LAUBAEHRSA-N 2 2 377.536 3.762 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000247025243 879890278 /nfs/dbraw/zinc/89/02/78/879890278.db2.gz MLHXGHDIQMQTKS-DEYYWGMASA-N 2 2 386.367 3.833 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000247025243 879890288 /nfs/dbraw/zinc/89/02/88/879890288.db2.gz MLHXGHDIQMQTKS-DEYYWGMASA-N 2 2 386.367 3.833 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000247025243 879890303 /nfs/dbraw/zinc/89/03/03/879890303.db2.gz MLHXGHDIQMQTKS-DEYYWGMASA-N 2 2 386.367 3.833 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000247025243 879890310 /nfs/dbraw/zinc/89/03/10/879890310.db2.gz MLHXGHDIQMQTKS-DEYYWGMASA-N 2 2 386.367 3.833 20 0 GHADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247131688 879927017 /nfs/dbraw/zinc/92/70/17/879927017.db2.gz ZSWODFAONCSLRP-GUDVDZBRSA-N 2 2 389.609 3.608 20 0 GHADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247131688 879927030 /nfs/dbraw/zinc/92/70/30/879927030.db2.gz ZSWODFAONCSLRP-GUDVDZBRSA-N 2 2 389.609 3.608 20 0 GHADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247131688 879927043 /nfs/dbraw/zinc/92/70/43/879927043.db2.gz ZSWODFAONCSLRP-GUDVDZBRSA-N 2 2 389.609 3.608 20 0 GHADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247131688 879927051 /nfs/dbraw/zinc/92/70/51/879927051.db2.gz ZSWODFAONCSLRP-GUDVDZBRSA-N 2 2 389.609 3.608 20 0 GHADLP C[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000247222430 879945395 /nfs/dbraw/zinc/94/53/95/879945395.db2.gz ZBWRIUGQEVUZOL-GFOJFJKKSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247222430 879945413 /nfs/dbraw/zinc/94/54/13/879945413.db2.gz ZBWRIUGQEVUZOL-GFOJFJKKSA-N 2 2 378.605 3.544 20 0 GHADLP CC(C)Oc1c(Cl)cccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000173261767 879949031 /nfs/dbraw/zinc/94/90/31/879949031.db2.gz XFDLCXDROXPYQD-UHFFFAOYSA-N 2 2 396.963 3.617 20 0 GHADLP CC(C)Oc1c(Cl)cccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000173261767 879949041 /nfs/dbraw/zinc/94/90/41/879949041.db2.gz XFDLCXDROXPYQD-UHFFFAOYSA-N 2 2 396.963 3.617 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c2ccccc2n1 ZINC000247233539 879949274 /nfs/dbraw/zinc/94/92/74/879949274.db2.gz XCEVFHKAWUAOAP-LAUBAEHRSA-N 2 2 376.504 3.639 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c2ccccc2n1 ZINC000247233539 879949284 /nfs/dbraw/zinc/94/92/84/879949284.db2.gz XCEVFHKAWUAOAP-LAUBAEHRSA-N 2 2 376.504 3.639 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CC(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000531719623 880375171 /nfs/dbraw/zinc/37/51/71/880375171.db2.gz UFJFJVUIRGREKE-MRXNPFEDSA-N 2 2 395.975 3.845 20 0 GHADLP Cn1ccnc1[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000453058303 880410514 /nfs/dbraw/zinc/41/05/14/880410514.db2.gz GORSQGOZTZRCFO-NRFANRHFSA-N 2 2 398.938 3.893 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ncc(-c2ccccc2)n1C ZINC000453193144 880599323 /nfs/dbraw/zinc/59/93/23/880599323.db2.gz DXLKWUZALFEQGQ-PGRDOPGGSA-N 2 2 390.531 3.505 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ncc(-c2ccccc2)n1C ZINC000453193144 880599340 /nfs/dbraw/zinc/59/93/40/880599340.db2.gz DXLKWUZALFEQGQ-PGRDOPGGSA-N 2 2 390.531 3.505 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 ZINC000429524894 880723310 /nfs/dbraw/zinc/72/33/10/880723310.db2.gz AZZYGEFDKJKWGP-VWNXMTODSA-N 2 2 391.559 3.577 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 ZINC000429524894 880723320 /nfs/dbraw/zinc/72/33/20/880723320.db2.gz AZZYGEFDKJKWGP-VWNXMTODSA-N 2 2 391.559 3.577 20 0 GHADLP CN(Cc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000185902851 880726372 /nfs/dbraw/zinc/72/63/72/880726372.db2.gz TWYVDZRKXLNSBL-VXKWHMMOSA-N 2 2 386.584 3.507 20 0 GHADLP CN(Cc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000185902851 880726383 /nfs/dbraw/zinc/72/63/83/880726383.db2.gz TWYVDZRKXLNSBL-VXKWHMMOSA-N 2 2 386.584 3.507 20 0 GHADLP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000185978879 880747987 /nfs/dbraw/zinc/74/79/87/880747987.db2.gz LHJQXXHQMIQDDF-SFHVURJKSA-N 2 2 376.907 3.867 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3cnn(C(C)C)c3)CC2)cc1 ZINC000453330252 880762772 /nfs/dbraw/zinc/76/27/72/880762772.db2.gz SDHVOXJAJWEUHS-KRWDZBQOSA-N 2 2 383.540 3.738 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000186413239 880880826 /nfs/dbraw/zinc/88/08/26/880880826.db2.gz GBKWIGIQXLMKQM-VGSWGCGISA-N 2 2 380.511 3.755 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000186413239 880880836 /nfs/dbraw/zinc/88/08/36/880880836.db2.gz GBKWIGIQXLMKQM-VGSWGCGISA-N 2 2 380.511 3.755 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)n2C ZINC000186542633 880913949 /nfs/dbraw/zinc/91/39/49/880913949.db2.gz AIOWRBWYKMCRKA-UHFFFAOYSA-N 2 2 396.510 3.518 20 0 GHADLP C[C@@H]1C[C@H](C[NH+]2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)CCO1 ZINC000453578826 881083898 /nfs/dbraw/zinc/08/38/98/881083898.db2.gz VBMSBOUPFNHHDS-RTBURBONSA-N 2 2 391.987 3.742 20 0 GHADLP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000465406719 881104455 /nfs/dbraw/zinc/10/44/55/881104455.db2.gz KBJTXIDLDPTIPJ-QGZVFWFLSA-N 2 2 392.975 3.651 20 0 GHADLP c1ccc(C[N@H+]2CCCC[C@@H]2CNC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000119694643 881105757 /nfs/dbraw/zinc/10/57/57/881105757.db2.gz IPBXGSMBJTWBRB-XMMPIXPASA-N 2 2 378.564 3.690 20 0 GHADLP c1ccc(C[N@@H+]2CCCC[C@@H]2CNC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000119694643 881105773 /nfs/dbraw/zinc/10/57/73/881105773.db2.gz IPBXGSMBJTWBRB-XMMPIXPASA-N 2 2 378.564 3.690 20 0 GHADLP Cc1ccc2c(c1)nc(C[NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)n2C ZINC000187591386 881239362 /nfs/dbraw/zinc/23/93/62/881239362.db2.gz WQOHUQBGJORQPW-UHFFFAOYSA-N 2 2 380.511 3.818 20 0 GHADLP O[C@@](C[NH2+]C1CC[NH+](CC2CC2)CC1)(c1ccc(Cl)cc1)C(F)(F)F ZINC000777121743 884038981 /nfs/dbraw/zinc/03/89/81/884038981.db2.gz FHXSIXXTHCQRQT-KRWDZBQOSA-N 2 2 376.850 3.554 20 0 GHADLP CCc1ccc([C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000105089426 884108856 /nfs/dbraw/zinc/10/88/56/884108856.db2.gz CJOCMJSQKLIUED-JOCHJYFZSA-N 2 2 388.600 3.614 20 0 GHADLP CCc1ccc([C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000105089426 884108862 /nfs/dbraw/zinc/10/88/62/884108862.db2.gz CJOCMJSQKLIUED-JOCHJYFZSA-N 2 2 388.600 3.614 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2cccc(F)c2)CCCCC1 ZINC000498413741 884317676 /nfs/dbraw/zinc/31/76/76/884317676.db2.gz FMWGFDSNPZKMMK-UHFFFAOYSA-N 2 2 389.559 3.512 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2cccc(F)c2)CCCCC1 ZINC000498413741 884317695 /nfs/dbraw/zinc/31/76/95/884317695.db2.gz FMWGFDSNPZKMMK-UHFFFAOYSA-N 2 2 389.559 3.512 20 0 GHADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000476301352 884351314 /nfs/dbraw/zinc/35/13/14/884351314.db2.gz AMKLNXGAZNQMTI-CRAIPNDOSA-N 2 2 392.494 3.640 20 0 GHADLP CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000071089699 884668491 /nfs/dbraw/zinc/66/84/91/884668491.db2.gz NSKDXFICJZUFIN-UHFFFAOYSA-N 2 2 378.476 3.732 20 0 GHADLP CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000071089699 884668495 /nfs/dbraw/zinc/66/84/95/884668495.db2.gz NSKDXFICJZUFIN-UHFFFAOYSA-N 2 2 378.476 3.732 20 0 GHADLP Cc1c(Br)cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1Br ZINC000556391895 884754467 /nfs/dbraw/zinc/75/44/67/884754467.db2.gz HWDFMWANJHBPAH-JTQLQIEISA-N 2 2 387.119 3.895 20 0 GHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000498598467 884990936 /nfs/dbraw/zinc/99/09/36/884990936.db2.gz RPGWJFASBIOKGP-NHCUHLMSSA-N 2 2 381.520 3.587 20 0 GHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000498598470 884991173 /nfs/dbraw/zinc/99/11/73/884991173.db2.gz RPGWJFASBIOKGP-SFTDATJTSA-N 2 2 381.520 3.587 20 0 GHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c2ccccc21 ZINC000643470425 885056570 /nfs/dbraw/zinc/05/65/70/885056570.db2.gz SOIBHMXZIGLWEO-KURKYZTESA-N 2 2 375.394 3.545 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000532447172 885491731 /nfs/dbraw/zinc/49/17/31/885491731.db2.gz WXKRTYHWUMYOAZ-OAHLLOKOSA-N 2 2 387.446 3.624 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)C[C@@H]1c1ccccc1 ZINC000550643674 885691933 /nfs/dbraw/zinc/69/19/33/885691933.db2.gz CJUPFILELGWRBT-RBZQAINGSA-N 2 2 391.559 3.645 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)C[C@@H]1c1ccccc1 ZINC000550643674 885691947 /nfs/dbraw/zinc/69/19/47/885691947.db2.gz CJUPFILELGWRBT-RBZQAINGSA-N 2 2 391.559 3.645 20 0 GHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(Cl)ccc3Cl)CC2)CC1 ZINC000303874073 885755167 /nfs/dbraw/zinc/75/51/67/885755167.db2.gz IEMAMIZCFBMICE-UHFFFAOYSA-N 2 2 398.378 3.760 20 0 GHADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](C2CCC([NH+](C)C)CC2)CC3)cs1 ZINC001168319523 886241130 /nfs/dbraw/zinc/24/11/30/886241130.db2.gz WJEIQUJJSQKSGQ-UHFFFAOYSA-N 3 2 376.614 3.755 20 0 GHADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](C2CCC([NH+](C)C)CC2)CC3)cs1 ZINC001168319523 886241146 /nfs/dbraw/zinc/24/11/46/886241146.db2.gz WJEIQUJJSQKSGQ-UHFFFAOYSA-N 3 2 376.614 3.755 20 0 GHADLP Cc1c([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cnn1-c1ccccc1 ZINC000777256990 886330148 /nfs/dbraw/zinc/33/01/48/886330148.db2.gz YLFYNITZDNULCF-DYESRHJHSA-N 2 2 390.535 3.889 20 0 GHADLP CCC(CC)[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000105138564 886387329 /nfs/dbraw/zinc/38/73/29/886387329.db2.gz VAFQTJNJVJWANI-QFIPXVFZSA-N 2 2 388.600 3.831 20 0 GHADLP CCC(CC)[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000105138564 886387344 /nfs/dbraw/zinc/38/73/44/886387344.db2.gz VAFQTJNJVJWANI-QFIPXVFZSA-N 2 2 388.600 3.831 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C ZINC000537615501 886634364 /nfs/dbraw/zinc/63/43/64/886634364.db2.gz WRYFCRKPZPLEPC-DNVCBOLYSA-N 2 2 391.357 3.939 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C ZINC000537615501 886634366 /nfs/dbraw/zinc/63/43/66/886634366.db2.gz WRYFCRKPZPLEPC-DNVCBOLYSA-N 2 2 391.357 3.939 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C ZINC000537615501 886634369 /nfs/dbraw/zinc/63/43/69/886634369.db2.gz WRYFCRKPZPLEPC-DNVCBOLYSA-N 2 2 391.357 3.939 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C ZINC000537615501 886634371 /nfs/dbraw/zinc/63/43/71/886634371.db2.gz WRYFCRKPZPLEPC-DNVCBOLYSA-N 2 2 391.357 3.939 20 0 GHADLP CC(C)C[N@@H+](Cc1ccc(F)c(Cl)c1)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000863280230 887000839 /nfs/dbraw/zinc/00/08/39/887000839.db2.gz CXTGRSIXSCIWDV-INIZCTEOSA-N 2 2 392.906 3.644 20 0 GHADLP CC(C)C[N@H+](Cc1ccc(F)c(Cl)c1)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000863280230 887000856 /nfs/dbraw/zinc/00/08/56/887000856.db2.gz CXTGRSIXSCIWDV-INIZCTEOSA-N 2 2 392.906 3.644 20 0 GHADLP COc1cc(Br)ccc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655757590 887414994 /nfs/dbraw/zinc/41/49/94/887414994.db2.gz JHCKGGZQEVGUIE-YOEHRIQHSA-N 2 2 397.357 3.752 20 0 GHADLP C[NH+](C)Cc1cnc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)s1 ZINC000809551597 887569083 /nfs/dbraw/zinc/56/90/83/887569083.db2.gz AIYZHJCKDBLTHG-XYPWUTKMSA-N 2 2 394.585 3.567 20 0 GHADLP C[NH+](C)Cc1cnc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)s1 ZINC000809551597 887569088 /nfs/dbraw/zinc/56/90/88/887569088.db2.gz AIYZHJCKDBLTHG-XYPWUTKMSA-N 2 2 394.585 3.567 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(Oc4ccccc4)cc3)CC2)CC1 ZINC000050802074 887711689 /nfs/dbraw/zinc/71/16/89/887711689.db2.gz NEODWWODXPLGSI-UHFFFAOYSA-N 2 2 393.531 3.767 20 0 GHADLP CC(C)CC[C@@H]1CCCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000135125259 887946225 /nfs/dbraw/zinc/94/62/25/887946225.db2.gz XUYLXNKGYDWUHR-NRFANRHFSA-N 2 2 378.605 3.545 20 0 GHADLP O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001184403895 913188531 /nfs/dbraw/zinc/18/85/31/913188531.db2.gz SKHJQSFQQKQERQ-SFHVURJKSA-N 2 2 386.927 3.681 20 0 GHADLP O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001184403895 913188541 /nfs/dbraw/zinc/18/85/41/913188541.db2.gz SKHJQSFQQKQERQ-SFHVURJKSA-N 2 2 386.927 3.681 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc(=O)oc3c(C)c(O)ccc23)CC1 ZINC000809994818 888049990 /nfs/dbraw/zinc/04/99/90/888049990.db2.gz GSZLFRFATIXJTP-UHFFFAOYSA-N 2 2 380.444 3.554 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2cc(Br)ccc21 ZINC000794811154 888163395 /nfs/dbraw/zinc/16/33/95/888163395.db2.gz VLBGGWPAZFZWKR-MPGHIAIKSA-N 2 2 379.342 3.624 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c2cc(Br)ccc21 ZINC000794811154 888163399 /nfs/dbraw/zinc/16/33/99/888163399.db2.gz VLBGGWPAZFZWKR-MPGHIAIKSA-N 2 2 379.342 3.624 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCCN(c4ccccc4)C3)CC2)cc1 ZINC000120381090 888186840 /nfs/dbraw/zinc/18/68/40/888186840.db2.gz QLPPMNDVIQRBET-OAQYLSRUSA-N 2 2 378.564 3.980 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000810169516 888230921 /nfs/dbraw/zinc/23/09/21/888230921.db2.gz ZOWNBMZOXUNWCJ-UHFFFAOYSA-N 2 2 375.472 3.794 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CC(F)F ZINC000865432049 888347489 /nfs/dbraw/zinc/34/74/89/888347489.db2.gz WEXQPMCUFGDISM-HNNXBMFYSA-N 2 2 380.439 3.510 20 0 GHADLP Cc1ccc(N2CCC(C(=O)NC[C@H]([NH3+])c3ccc(C(C)C)cc3)CC2)[nH+]c1 ZINC000236765615 888646282 /nfs/dbraw/zinc/64/62/82/888646282.db2.gz BJQDKOZMKYOERM-NRFANRHFSA-N 2 2 380.536 3.546 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703243 889013260 /nfs/dbraw/zinc/01/32/60/889013260.db2.gz HGKBLDOKULXSHC-MBSDFSHPSA-N 2 2 397.567 3.513 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703243 889013273 /nfs/dbraw/zinc/01/32/73/889013273.db2.gz HGKBLDOKULXSHC-MBSDFSHPSA-N 2 2 397.567 3.513 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Br)ccc2OC(F)F)CC[N@@H+]1C ZINC000123913614 889443213 /nfs/dbraw/zinc/44/32/13/889443213.db2.gz YDJXLJSABDZUGN-SMDDNHRTSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Br)ccc2OC(F)F)CC[N@H+]1C ZINC000123913614 889443227 /nfs/dbraw/zinc/44/32/27/889443227.db2.gz YDJXLJSABDZUGN-SMDDNHRTSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(Br)ccc2OC(F)F)CC[NH+]1C ZINC000123913614 889443238 /nfs/dbraw/zinc/44/32/38/889443238.db2.gz YDJXLJSABDZUGN-SMDDNHRTSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Br)ccc2OC(F)F)CC[NH+]1C ZINC000123913614 889443243 /nfs/dbraw/zinc/44/32/43/889443243.db2.gz YDJXLJSABDZUGN-SMDDNHRTSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)c1ccccc1 ZINC000644546016 913357673 /nfs/dbraw/zinc/35/76/73/913357673.db2.gz KHZXPDVPJHRNRN-PKOBYXMFSA-N 2 2 381.520 3.627 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2OC[C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000287479685 913364392 /nfs/dbraw/zinc/36/43/92/913364392.db2.gz XAELBGYGHQHFSQ-NWSQWKLXSA-N 2 2 395.547 3.640 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2OC[C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000287479685 913364420 /nfs/dbraw/zinc/36/44/20/913364420.db2.gz XAELBGYGHQHFSQ-NWSQWKLXSA-N 2 2 395.547 3.640 20 0 GHADLP C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000124460122 889638681 /nfs/dbraw/zinc/63/86/81/889638681.db2.gz VFZOSXATFWEAGD-APWZRJJASA-N 2 2 380.374 3.612 20 0 GHADLP C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000124460122 889638682 /nfs/dbraw/zinc/63/86/82/889638682.db2.gz VFZOSXATFWEAGD-APWZRJJASA-N 2 2 380.374 3.612 20 0 GHADLP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(Cl)c1F ZINC000287630060 913456580 /nfs/dbraw/zinc/45/65/80/913456580.db2.gz KIDDDSLMMZMSAT-YLJYHZDGSA-N 2 2 392.902 3.523 20 0 GHADLP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(Cl)c1F ZINC000287630060 913456589 /nfs/dbraw/zinc/45/65/89/913456589.db2.gz KIDDDSLMMZMSAT-YLJYHZDGSA-N 2 2 392.902 3.523 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C2CC2)cc1 ZINC000533426087 890531310 /nfs/dbraw/zinc/53/13/10/890531310.db2.gz VWOGXWDRSPZTED-NRFANRHFSA-N 2 2 383.580 3.719 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C2CC2)cc1 ZINC000533426087 890531316 /nfs/dbraw/zinc/53/13/16/890531316.db2.gz VWOGXWDRSPZTED-NRFANRHFSA-N 2 2 383.580 3.719 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2ccc(Br)c(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205315906 913467757 /nfs/dbraw/zinc/46/77/57/913467757.db2.gz HZQNTIGXUCUADY-PWSUYJOCSA-N 2 2 381.236 3.764 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2ccc(Br)c(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205315906 913467761 /nfs/dbraw/zinc/46/77/61/913467761.db2.gz HZQNTIGXUCUADY-PWSUYJOCSA-N 2 2 381.236 3.764 20 0 GHADLP Cc1cc(C)c(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(C)[nH+]1 ZINC000455491644 891046805 /nfs/dbraw/zinc/04/68/05/891046805.db2.gz YTTVDKZWBUYTBT-QZTJIDSGSA-N 2 2 396.535 3.938 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000247033977 891335725 /nfs/dbraw/zinc/33/57/25/891335725.db2.gz MJQCYGPULDQXSI-PXDATVDWSA-N 3 2 392.591 3.794 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000247033977 891335742 /nfs/dbraw/zinc/33/57/42/891335742.db2.gz MJQCYGPULDQXSI-PXDATVDWSA-N 3 2 392.591 3.794 20 0 GHADLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000089724830 891706020 /nfs/dbraw/zinc/70/60/20/891706020.db2.gz STMSAJHUEHEVEB-ZEYPLWLESA-N 2 2 378.520 3.763 20 0 GHADLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000089724830 891706033 /nfs/dbraw/zinc/70/60/33/891706033.db2.gz STMSAJHUEHEVEB-ZEYPLWLESA-N 2 2 378.520 3.763 20 0 GHADLP CC(C)[N@H+](CCn1cc[nH+]c1)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000162309503 892166160 /nfs/dbraw/zinc/16/61/60/892166160.db2.gz LNRWXWOFMIYSSN-UHFFFAOYSA-N 2 2 388.821 3.904 20 0 GHADLP CC(C)[N@@H+](CCn1cc[nH+]c1)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000162309503 892166166 /nfs/dbraw/zinc/16/61/66/892166166.db2.gz LNRWXWOFMIYSSN-UHFFFAOYSA-N 2 2 388.821 3.904 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000747925763 892442971 /nfs/dbraw/zinc/44/29/71/892442971.db2.gz HTJRWMLVVGSERN-XLIONFOSSA-N 2 2 388.556 3.596 20 0 GHADLP Cc1c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cnn1-c1ccc(Cl)cc1Cl ZINC000562962680 893221765 /nfs/dbraw/zinc/22/17/65/893221765.db2.gz KKBKECYRILPNMA-WFASDCNBSA-N 2 2 383.323 3.517 20 0 GHADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000288443889 913768804 /nfs/dbraw/zinc/76/88/04/913768804.db2.gz CNYCWBOERUIVCQ-UHFFFAOYSA-N 2 2 385.480 3.751 20 0 GHADLP C[C@H]1C[C@@H]([NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000459681899 894059545 /nfs/dbraw/zinc/05/95/45/894059545.db2.gz DRVHKHUUTJKFBR-WRGRXTPVSA-N 2 2 386.561 3.964 20 0 GHADLP C[C@H]1C[C@@H]([NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000459681899 894059562 /nfs/dbraw/zinc/05/95/62/894059562.db2.gz DRVHKHUUTJKFBR-WRGRXTPVSA-N 2 2 386.561 3.964 20 0 GHADLP CC(C)[C@H](CCc1ccccc1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645398763 913875979 /nfs/dbraw/zinc/87/59/79/913875979.db2.gz LLMVYGRXQAKGCD-GOTSBHOMSA-N 2 2 385.596 3.518 20 0 GHADLP CC(C)[C@H](CCc1ccccc1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645398763 913875987 /nfs/dbraw/zinc/87/59/87/913875987.db2.gz LLMVYGRXQAKGCD-GOTSBHOMSA-N 2 2 385.596 3.518 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000288790022 913880092 /nfs/dbraw/zinc/88/00/92/913880092.db2.gz YQZUMNIMWCCWOS-LPHOPBHVSA-N 2 2 392.906 3.865 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000288790022 913880099 /nfs/dbraw/zinc/88/00/99/913880099.db2.gz YQZUMNIMWCCWOS-LPHOPBHVSA-N 2 2 392.906 3.865 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](c3cccc(C(F)(F)F)c3)[NH+](C)C)ccn12 ZINC000564666700 895167157 /nfs/dbraw/zinc/16/71/57/895167157.db2.gz JSINSDGHQYUWOZ-KRWDZBQOSA-N 2 2 390.409 3.694 20 0 GHADLP O[C@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)Cc1ccccc1C(F)(F)F ZINC000564850441 895282104 /nfs/dbraw/zinc/28/21/04/895282104.db2.gz ZZZZMZPVVGYPHJ-KRWDZBQOSA-N 2 2 375.394 3.584 20 0 GHADLP [NH3+][C@@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1ccccc1 ZINC000564941022 895316975 /nfs/dbraw/zinc/31/69/75/895316975.db2.gz XDKFZLDRRITXGB-LJQANCHMSA-N 2 2 392.330 3.774 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2)cs1 ZINC000565047667 895367322 /nfs/dbraw/zinc/36/73/22/895367322.db2.gz OJRSCYQEFLUTTA-FXAWDEMLSA-N 2 2 384.549 3.521 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2)cs1 ZINC000565047667 895367338 /nfs/dbraw/zinc/36/73/38/895367338.db2.gz OJRSCYQEFLUTTA-FXAWDEMLSA-N 2 2 384.549 3.521 20 0 GHADLP CC1([NH+]2CCCCC2)CCN(CC[NH+]2CCC(C)([NH+]3CCCCC3)CC2)CC1 ZINC000879950306 895420580 /nfs/dbraw/zinc/42/05/80/895420580.db2.gz MIOCRFFLKVMJQO-UHFFFAOYSA-N 3 2 390.660 3.667 20 0 GHADLP O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000817274330 895461682 /nfs/dbraw/zinc/46/16/82/895461682.db2.gz KGWBAGPKYAITDQ-DNQXCXABSA-N 2 2 380.532 3.607 20 0 GHADLP O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000817274330 895461692 /nfs/dbraw/zinc/46/16/92/895461692.db2.gz KGWBAGPKYAITDQ-DNQXCXABSA-N 2 2 380.532 3.607 20 0 GHADLP O[C@@H](C[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000817275725 895461971 /nfs/dbraw/zinc/46/19/71/895461971.db2.gz MXHRUNGGFXBINE-RPWUZVMVSA-N 2 2 398.522 3.746 20 0 GHADLP O[C@@H](C[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000817275725 895461982 /nfs/dbraw/zinc/46/19/82/895461982.db2.gz MXHRUNGGFXBINE-RPWUZVMVSA-N 2 2 398.522 3.746 20 0 GHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569121 895752937 /nfs/dbraw/zinc/75/29/37/895752937.db2.gz ITRLPXZIZZFQBC-DYESRHJHSA-N 2 2 380.467 3.573 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)c1ccccc1Cl ZINC001136034335 895934485 /nfs/dbraw/zinc/93/44/85/895934485.db2.gz VWIRKVRHCAUSTE-SFHVURJKSA-N 2 2 376.932 3.779 20 0 GHADLP CCO[C@H](C[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1)C1CC1 ZINC001170906214 896214442 /nfs/dbraw/zinc/21/44/42/896214442.db2.gz SDNAHAGHOKGWIR-JOCHJYFZSA-N 2 2 391.987 3.742 20 0 GHADLP C[C@H]1CC[NH2+][C@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000566287143 896217229 /nfs/dbraw/zinc/21/72/29/896217229.db2.gz YSJSCZONCLQLFY-MBSDFSHPSA-N 2 2 388.515 3.603 20 0 GHADLP CC1CC[NH+](Cc2cccc(CNC(=O)Nc3ccn4cc[nH+]c4c3)c2)CC1 ZINC000566708618 896511867 /nfs/dbraw/zinc/51/18/67/896511867.db2.gz VRNYJHFBBBCDQL-UHFFFAOYSA-N 2 2 377.492 3.888 20 0 GHADLP CN(c1ccc([NH2+]CCC(=O)Nc2ccccc2F)cc1)C1CC[NH+](C)CC1 ZINC000819418121 896712586 /nfs/dbraw/zinc/71/25/86/896712586.db2.gz QDDDEIFNHOGTKN-UHFFFAOYSA-N 2 2 384.499 3.797 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccnc(-c4ccccn4)n3)CC23CC3)cc1 ZINC000883285135 897446098 /nfs/dbraw/zinc/44/60/98/897446098.db2.gz HFZINMGORAMUQA-HXUWFJFHSA-N 2 2 385.515 3.825 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccnc(-c4ccccn4)n3)CC23CC3)cc1 ZINC000883285135 897446103 /nfs/dbraw/zinc/44/61/03/897446103.db2.gz HFZINMGORAMUQA-HXUWFJFHSA-N 2 2 385.515 3.825 20 0 GHADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCCC[C@H]2Cc2cccc(Br)c2)n1 ZINC000567894595 897475710 /nfs/dbraw/zinc/47/57/10/897475710.db2.gz GYJHDVLKUWAQLS-HNNXBMFYSA-N 2 2 393.329 3.623 20 0 GHADLP CC(C)([NH3+])c1noc(C[N@H+]2CCCC[C@H]2Cc2cccc(Br)c2)n1 ZINC000567894595 897475713 /nfs/dbraw/zinc/47/57/13/897475713.db2.gz GYJHDVLKUWAQLS-HNNXBMFYSA-N 2 2 393.329 3.623 20 0 GHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000883386744 897550187 /nfs/dbraw/zinc/55/01/87/897550187.db2.gz MDOVRUBDRAFUJH-UTKZUKDTSA-N 2 2 376.460 3.932 20 0 GHADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883386980 897550341 /nfs/dbraw/zinc/55/03/41/897550341.db2.gz PQTMFKSXONUMTE-UTKZUKDTSA-N 2 2 378.476 3.640 20 0 GHADLP CC[NH+](CC)CCC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000568605321 897975698 /nfs/dbraw/zinc/97/56/98/897975698.db2.gz GAIIGOUIRNUXMG-HNNXBMFYSA-N 2 2 397.279 3.823 20 0 GHADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000568742850 898076311 /nfs/dbraw/zinc/07/63/11/898076311.db2.gz IXLJJRFZFQVJKQ-MISYRCLQSA-N 2 2 381.495 3.607 20 0 GHADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000568742850 898076325 /nfs/dbraw/zinc/07/63/25/898076325.db2.gz IXLJJRFZFQVJKQ-MISYRCLQSA-N 2 2 381.495 3.607 20 0 GHADLP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000568742850 898076335 /nfs/dbraw/zinc/07/63/35/898076335.db2.gz IXLJJRFZFQVJKQ-MISYRCLQSA-N 2 2 381.495 3.607 20 0 GHADLP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000568742850 898076344 /nfs/dbraw/zinc/07/63/44/898076344.db2.gz IXLJJRFZFQVJKQ-MISYRCLQSA-N 2 2 381.495 3.607 20 0 GHADLP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC(n4cc[nH+]c4)CC3)cc2)CC1 ZINC000103303263 898082850 /nfs/dbraw/zinc/08/28/50/898082850.db2.gz NDCQCIGDYYSMBG-UHFFFAOYSA-N 2 2 395.551 3.662 20 0 GHADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000105083913 898185689 /nfs/dbraw/zinc/18/56/89/898185689.db2.gz HPPMOMCXGWJAPV-SFHVURJKSA-N 2 2 382.552 3.568 20 0 GHADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000105083913 898185695 /nfs/dbraw/zinc/18/56/95/898185695.db2.gz HPPMOMCXGWJAPV-SFHVURJKSA-N 2 2 382.552 3.568 20 0 GHADLP CN(C)[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cccc(F)c1 ZINC000133511306 898523234 /nfs/dbraw/zinc/52/32/34/898523234.db2.gz HIYDKXXEVOSVOD-HSZRJFAPSA-N 2 2 384.543 3.753 20 0 GHADLP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000823015074 898772688 /nfs/dbraw/zinc/77/26/88/898772688.db2.gz ZTYCKLLWYJILNU-KBAYOESNSA-N 2 2 392.425 3.520 20 0 GHADLP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000823015074 898772694 /nfs/dbraw/zinc/77/26/94/898772694.db2.gz ZTYCKLLWYJILNU-KBAYOESNSA-N 2 2 392.425 3.520 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(C4CC4)oc3C3CC3)CC2)CC1 ZINC000823113955 898855636 /nfs/dbraw/zinc/85/56/36/898855636.db2.gz LJBHBXJCXONMMA-UHFFFAOYSA-N 2 2 385.552 3.667 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(C4CC4)oc3C3CC3)CC2)CC1 ZINC000823113955 898855649 /nfs/dbraw/zinc/85/56/49/898855649.db2.gz LJBHBXJCXONMMA-UHFFFAOYSA-N 2 2 385.552 3.667 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)c1ccccc1Cl ZINC000289689992 914297113 /nfs/dbraw/zinc/29/71/13/914297113.db2.gz DUXMIDMKJTYWEY-OXQOHEQNSA-N 2 2 388.943 3.607 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)N2CCCc3ccccc32)CC1 ZINC000569973194 899049757 /nfs/dbraw/zinc/04/97/57/899049757.db2.gz ZNGKOGGVGXLYOB-UHFFFAOYSA-N 2 2 379.504 3.603 20 0 GHADLP C[C@H]1C[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCN1C(=O)OC(C)(C)C ZINC000823654308 899163682 /nfs/dbraw/zinc/16/36/82/899163682.db2.gz UCDWHRIDORXYKQ-ZWKOTPCHSA-N 2 2 388.556 3.676 20 0 GHADLP CCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000570569148 899397772 /nfs/dbraw/zinc/39/77/72/899397772.db2.gz FKHLPZFRTWKNIE-QFIPXVFZSA-N 2 2 377.532 3.723 20 0 GHADLP CCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000570569148 899397783 /nfs/dbraw/zinc/39/77/83/899397783.db2.gz FKHLPZFRTWKNIE-QFIPXVFZSA-N 2 2 377.532 3.723 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C[C@H]1c1ccccc1 ZINC000824208755 899455766 /nfs/dbraw/zinc/45/57/66/899455766.db2.gz HARIAVXUAWCMME-UFYCRDLUSA-N 2 2 396.535 3.928 20 0 GHADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824217043 899462022 /nfs/dbraw/zinc/46/20/22/899462022.db2.gz XMEWHBVOKQMTLJ-LEWJYISDSA-N 2 2 382.556 3.636 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc5c(cccc5Cl)[nH]4)C[C@@H]3C2)cn1 ZINC001136859338 899537464 /nfs/dbraw/zinc/53/74/64/899537464.db2.gz KJAPEZBLIOIPGS-SJORKVTESA-N 2 2 383.927 3.509 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc5c(cccc5Cl)[nH]4)C[C@@H]3C2)cn1 ZINC001136859338 899537469 /nfs/dbraw/zinc/53/74/69/899537469.db2.gz KJAPEZBLIOIPGS-SJORKVTESA-N 2 2 383.927 3.509 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc5c(cccc5Cl)[nH]4)C[C@@H]3C2)cn1 ZINC001136859338 899537478 /nfs/dbraw/zinc/53/74/78/899537478.db2.gz KJAPEZBLIOIPGS-SJORKVTESA-N 2 2 383.927 3.509 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc5c(cccc5Cl)[nH]4)C[C@@H]3C2)cn1 ZINC001136859338 899537485 /nfs/dbraw/zinc/53/74/85/899537485.db2.gz KJAPEZBLIOIPGS-SJORKVTESA-N 2 2 383.927 3.509 20 0 GHADLP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824875576 899879349 /nfs/dbraw/zinc/87/93/49/899879349.db2.gz NDQMDFFZYBMGLU-JXFKEZNVSA-N 2 2 382.556 3.636 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000333184615 900017905 /nfs/dbraw/zinc/01/79/05/900017905.db2.gz SPXFFFVEJYMGFP-SJLPKXTDSA-N 2 2 391.585 3.515 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC3C[C@H]4CCC[C@@H](C3)[NH+]4C)n2)C1 ZINC000333206077 900035993 /nfs/dbraw/zinc/03/59/93/900035993.db2.gz AOWAYENNGABALH-UNPWZGGWSA-N 2 2 391.585 3.512 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3C[C@H]4CCC[C@@H](C3)[NH+]4C)n2)C1 ZINC000333206077 900036001 /nfs/dbraw/zinc/03/60/01/900036001.db2.gz AOWAYENNGABALH-UNPWZGGWSA-N 2 2 391.585 3.512 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)n2)C1 ZINC000333206077 900036010 /nfs/dbraw/zinc/03/60/10/900036010.db2.gz AOWAYENNGABALH-UNPWZGGWSA-N 2 2 391.585 3.512 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)n2)C1 ZINC000333206077 900036020 /nfs/dbraw/zinc/03/60/20/900036020.db2.gz AOWAYENNGABALH-UNPWZGGWSA-N 2 2 391.585 3.512 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000825263458 900057873 /nfs/dbraw/zinc/05/78/73/900057873.db2.gz RFJROECUTQYVJG-LSDHHAIUSA-N 2 2 376.526 3.717 20 0 GHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@@](C)(O)C(F)F)CC1 ZINC000886080796 900709326 /nfs/dbraw/zinc/70/93/26/900709326.db2.gz GFNKQRGEIVGOOT-QGZVFWFLSA-N 2 2 380.401 3.618 20 0 GHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@@](C)(O)C(F)F)CC1 ZINC000886080796 900709335 /nfs/dbraw/zinc/70/93/35/900709335.db2.gz GFNKQRGEIVGOOT-QGZVFWFLSA-N 2 2 380.401 3.618 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c2ccccc21 ZINC000282947702 900775089 /nfs/dbraw/zinc/77/50/89/900775089.db2.gz BQBAVXOQVJJAQZ-RTWAWAEBSA-N 2 2 390.487 3.847 20 0 GHADLP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC001144204980 901283374 /nfs/dbraw/zinc/28/33/74/901283374.db2.gz BQRCOTVONHKKME-FQEVSTJZSA-N 2 2 375.532 3.513 20 0 GHADLP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC001144204980 901283382 /nfs/dbraw/zinc/28/33/82/901283382.db2.gz BQRCOTVONHKKME-FQEVSTJZSA-N 2 2 375.532 3.513 20 0 GHADLP CC[N@@H+](Cc1c[nH]nc1-c1cccnc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564715 901554630 /nfs/dbraw/zinc/55/46/30/901554630.db2.gz DGINEQLEKACDMM-UHFFFAOYSA-N 2 2 376.508 3.605 20 0 GHADLP CC[N@H+](Cc1c[nH]nc1-c1cccnc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564715 901554635 /nfs/dbraw/zinc/55/46/35/901554635.db2.gz DGINEQLEKACDMM-UHFFFAOYSA-N 2 2 376.508 3.605 20 0 GHADLP c1cc(C2CCCCC2)ccc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000576016223 901590462 /nfs/dbraw/zinc/59/04/62/901590462.db2.gz MYBAXXFJSIOPEZ-UHFFFAOYSA-N 2 2 379.552 3.809 20 0 GHADLP CCSc1cccc(F)c1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000290197700 914570499 /nfs/dbraw/zinc/57/04/99/914570499.db2.gz VKDZQGOZMHELMK-UHFFFAOYSA-N 2 2 394.560 3.618 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333288175 901975584 /nfs/dbraw/zinc/97/55/84/901975584.db2.gz IVFZRARGSICDLK-MOPGFXCFSA-N 2 2 393.535 3.740 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000333376305 902045654 /nfs/dbraw/zinc/04/56/54/902045654.db2.gz VRNJYQVFJOYLNI-IBGZPJMESA-N 2 2 393.535 3.740 20 0 GHADLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000333491491 902131727 /nfs/dbraw/zinc/13/17/27/902131727.db2.gz UVKYTKZTDTWHMT-CTNGQTDRSA-N 2 2 393.535 3.977 20 0 GHADLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000333491491 902131736 /nfs/dbraw/zinc/13/17/36/902131736.db2.gz UVKYTKZTDTWHMT-CTNGQTDRSA-N 2 2 393.535 3.977 20 0 GHADLP Cc1ccc([C@H]([NH2+]CCC[NH2+]C(C)C)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000576742911 902230456 /nfs/dbraw/zinc/23/04/56/902230456.db2.gz IRKOGUZEXQUPAB-JOCHJYFZSA-N 2 2 388.577 3.774 20 0 GHADLP C[C@H]1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)C[C@@H]1n1cc[nH+]c1 ZINC000129395367 902803698 /nfs/dbraw/zinc/80/36/98/902803698.db2.gz DUYUFXMLPUGHJP-PXNSSMCTSA-N 2 2 399.564 3.547 20 0 GHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264107272 902847342 /nfs/dbraw/zinc/84/73/42/902847342.db2.gz BAQDKLMMINMHLP-UHFFFAOYSA-N 2 2 390.487 3.810 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)ccn12 ZINC000577625827 902968614 /nfs/dbraw/zinc/96/86/14/902968614.db2.gz TWYGKJZPZZSHCW-FQEVSTJZSA-N 2 2 376.504 3.673 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)ccn12 ZINC000577625827 902968625 /nfs/dbraw/zinc/96/86/25/902968625.db2.gz TWYGKJZPZZSHCW-FQEVSTJZSA-N 2 2 376.504 3.673 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1Cl ZINC000264628736 903264950 /nfs/dbraw/zinc/26/49/50/903264950.db2.gz QOEQJXATISYXKQ-ZDUSSCGKSA-N 2 2 381.307 3.704 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132741477 903301646 /nfs/dbraw/zinc/30/16/46/903301646.db2.gz BHJFDTAPISOQHX-IBGZPJMESA-N 3 2 390.531 3.680 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000847007854 903376000 /nfs/dbraw/zinc/37/60/00/903376000.db2.gz DGCBQERJIWOQTP-UHFFFAOYSA-N 2 2 382.508 3.705 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1C1CC1 ZINC000577986585 903415049 /nfs/dbraw/zinc/41/50/49/903415049.db2.gz GHQYOHXDCHCGQP-FXAWDEMLSA-N 2 2 393.531 3.746 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1C1CC1 ZINC000577986585 903415057 /nfs/dbraw/zinc/41/50/57/903415057.db2.gz GHQYOHXDCHCGQP-FXAWDEMLSA-N 2 2 393.531 3.746 20 0 GHADLP COc1ccc(Cl)c2c1C[C@H]([NH+]1C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C1)CC2 ZINC001171311882 903829546 /nfs/dbraw/zinc/82/95/46/903829546.db2.gz PFYVYNOBNCPYTF-GBESFXJTSA-N 2 2 397.950 3.665 20 0 GHADLP Cn1c(CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)nc2cc(F)ccc21 ZINC000773003805 904360638 /nfs/dbraw/zinc/36/06/38/904360638.db2.gz HEKFMMSUMJGOCP-UHFFFAOYSA-N 2 2 395.526 3.580 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)C2=O)cc1 ZINC000773019195 904379447 /nfs/dbraw/zinc/37/94/47/904379447.db2.gz XESIEVYPKRQFIJ-PMOQBDJRSA-N 2 2 377.532 3.601 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)C2=O)cc1 ZINC000773019195 904379462 /nfs/dbraw/zinc/37/94/62/904379462.db2.gz XESIEVYPKRQFIJ-PMOQBDJRSA-N 2 2 377.532 3.601 20 0 GHADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000153793659 904397666 /nfs/dbraw/zinc/39/76/66/904397666.db2.gz WYMPHPKVLOXDOC-UHFFFAOYSA-N 2 2 380.536 3.660 20 0 GHADLP CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000290774563 914815379 /nfs/dbraw/zinc/81/53/79/914815379.db2.gz BKNYWYFOPWMVCG-FGZHOGPDSA-N 2 2 386.584 3.614 20 0 GHADLP CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000290774563 914815399 /nfs/dbraw/zinc/81/53/99/914815399.db2.gz BKNYWYFOPWMVCG-FGZHOGPDSA-N 2 2 386.584 3.614 20 0 GHADLP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000579469609 904631139 /nfs/dbraw/zinc/63/11/39/904631139.db2.gz MMLDWAXQGXKZKO-HXUWFJFHSA-N 2 2 392.528 3.648 20 0 GHADLP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000579469609 904631145 /nfs/dbraw/zinc/63/11/45/904631145.db2.gz MMLDWAXQGXKZKO-HXUWFJFHSA-N 2 2 392.528 3.648 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171469931 904744894 /nfs/dbraw/zinc/74/48/94/904744894.db2.gz ABPDOBHFUOMBAL-UEVCKROQSA-N 2 2 386.486 3.701 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171469931 904744905 /nfs/dbraw/zinc/74/49/05/904744905.db2.gz ABPDOBHFUOMBAL-UEVCKROQSA-N 2 2 386.486 3.701 20 0 GHADLP C[C@@H]1CC2(C[N@@H+]1CCC[NH+]1CCN(c3ccc(Cl)cc3)CC1)CCOCC2 ZINC001171480381 904753975 /nfs/dbraw/zinc/75/39/75/904753975.db2.gz RKOLMYQBNGKNEO-LJQANCHMSA-N 2 2 391.987 3.743 20 0 GHADLP C[C@@H]1CC2(C[N@H+]1CCC[NH+]1CCN(c3ccc(Cl)cc3)CC1)CCOCC2 ZINC001171480381 904753987 /nfs/dbraw/zinc/75/39/87/904753987.db2.gz RKOLMYQBNGKNEO-LJQANCHMSA-N 2 2 391.987 3.743 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@H]2CCc3cc(F)c(F)c(F)c3C2)[nH+]c1 ZINC001171547019 904776365 /nfs/dbraw/zinc/77/63/65/904776365.db2.gz NUSGNFOOXGCPJN-INIZCTEOSA-N 2 2 375.438 3.923 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C[C@@H]1C(C)(C)C ZINC001171593928 904844520 /nfs/dbraw/zinc/84/45/20/904844520.db2.gz UDKMLWLHLURLKE-GBESFXJTSA-N 2 2 379.589 3.875 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C[C@@H]1C(C)(C)C ZINC001171593928 904844537 /nfs/dbraw/zinc/84/45/37/904844537.db2.gz UDKMLWLHLURLKE-GBESFXJTSA-N 2 2 379.589 3.875 20 0 GHADLP C[NH+]1C(C)(C)CC([NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1(C)C ZINC001171643848 904933333 /nfs/dbraw/zinc/93/33/33/904933333.db2.gz WXJKJAWDQTYANH-UHFFFAOYSA-N 2 2 377.960 3.749 20 0 GHADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001171835676 905086849 /nfs/dbraw/zinc/08/68/49/905086849.db2.gz MXGZSQIOCULZMQ-ROUUACIJSA-N 2 2 394.441 3.548 20 0 GHADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001171835676 905086869 /nfs/dbraw/zinc/08/68/69/905086869.db2.gz MXGZSQIOCULZMQ-ROUUACIJSA-N 2 2 394.441 3.548 20 0 GHADLP CN(C)C(=O)[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000174156522 905212462 /nfs/dbraw/zinc/21/24/62/905212462.db2.gz KTHNKZAVPSFPNS-HSZRJFAPSA-N 2 2 391.515 3.831 20 0 GHADLP CN(C)C(=O)[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC000174156522 905212477 /nfs/dbraw/zinc/21/24/77/905212477.db2.gz KTHNKZAVPSFPNS-HSZRJFAPSA-N 2 2 391.515 3.831 20 0 GHADLP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172064717 905326621 /nfs/dbraw/zinc/32/66/21/905326621.db2.gz JFRQPLNILNSPOB-JOZNFPNDSA-N 3 2 385.596 3.663 20 0 GHADLP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172064717 905326637 /nfs/dbraw/zinc/32/66/37/905326637.db2.gz JFRQPLNILNSPOB-JOZNFPNDSA-N 3 2 385.596 3.663 20 0 GHADLP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nnc2ccccn21 ZINC001172064542 905326890 /nfs/dbraw/zinc/32/68/90/905326890.db2.gz HAVVRTMDXRYIGI-WJMWBRGCSA-N 2 2 375.520 3.966 20 0 GHADLP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nnc2ccccn21 ZINC001172064542 905326905 /nfs/dbraw/zinc/32/69/05/905326905.db2.gz HAVVRTMDXRYIGI-WJMWBRGCSA-N 2 2 375.520 3.966 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccn1 ZINC001172067169 905333794 /nfs/dbraw/zinc/33/37/94/905333794.db2.gz OOVCNOAUXJGEDK-QXUYBEEESA-N 2 2 393.531 3.861 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccn1 ZINC001172067169 905333812 /nfs/dbraw/zinc/33/38/12/905333812.db2.gz OOVCNOAUXJGEDK-QXUYBEEESA-N 2 2 393.531 3.861 20 0 GHADLP Cc1cccn2c(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)nnc12 ZINC001172069495 905338589 /nfs/dbraw/zinc/33/85/89/905338589.db2.gz UKIQFERPXLJFQT-MZADTFQBSA-N 2 2 375.520 3.713 20 0 GHADLP Cc1cccn2c(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)nnc12 ZINC001172069495 905338606 /nfs/dbraw/zinc/33/86/06/905338606.db2.gz UKIQFERPXLJFQT-MZADTFQBSA-N 2 2 375.520 3.713 20 0 GHADLP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](Oc3cc(C)ccc3Cl)C2)CC1 ZINC001172255475 905450884 /nfs/dbraw/zinc/45/08/84/905450884.db2.gz SINISHGZSGOHNT-IBGZPJMESA-N 2 2 380.960 3.993 20 0 GHADLP COCCC[NH+]1CCC([N@H+]2CCC[C@H](Oc3cc(C)ccc3Cl)C2)CC1 ZINC001172255475 905450891 /nfs/dbraw/zinc/45/08/91/905450891.db2.gz SINISHGZSGOHNT-IBGZPJMESA-N 2 2 380.960 3.993 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172581989 905682653 /nfs/dbraw/zinc/68/26/53/905682653.db2.gz XDNCKFSQICBBFO-HBFSDRIKSA-N 2 2 391.531 3.998 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172581989 905682665 /nfs/dbraw/zinc/68/26/65/905682665.db2.gz XDNCKFSQICBBFO-HBFSDRIKSA-N 2 2 391.531 3.998 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@@H]3Cc4ccc(Cl)cc4C3)CC2)cc1 ZINC001172715595 905762850 /nfs/dbraw/zinc/76/28/50/905762850.db2.gz HROWUSANRCAWOT-JOCHJYFZSA-N 2 2 398.934 3.848 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@H]2Cc4ccc(Cl)cc4C2)CC3)cn1 ZINC001172719039 905768193 /nfs/dbraw/zinc/76/81/93/905768193.db2.gz SSHWOSQKXDHAGR-NRFANRHFSA-N 2 2 384.955 3.671 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@H]2Cc4ccc(Cl)cc4C2)CC3)cn1 ZINC001172719039 905768206 /nfs/dbraw/zinc/76/82/06/905768206.db2.gz SSHWOSQKXDHAGR-NRFANRHFSA-N 2 2 384.955 3.671 20 0 GHADLP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3Cc4ccc(Cl)cc4C3)CC2)c1 ZINC001172724447 905774066 /nfs/dbraw/zinc/77/40/66/905774066.db2.gz MSGPHXLXSAVNOZ-JOCHJYFZSA-N 2 2 398.934 3.848 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001172815794 905847374 /nfs/dbraw/zinc/84/73/74/905847374.db2.gz RAHJRYRVVHWSMG-SWDXFRIISA-N 2 2 385.508 3.550 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001172815794 905847382 /nfs/dbraw/zinc/84/73/82/905847382.db2.gz RAHJRYRVVHWSMG-SWDXFRIISA-N 2 2 385.508 3.550 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCC(Cc5ccccc5)CC4)C[C@H]3C2)cn1 ZINC001172822671 905853545 /nfs/dbraw/zinc/85/35/45/905853545.db2.gz QJHLQLNEUGEGNV-QYCHZZNASA-N 2 2 392.591 3.975 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C4CCC(Cc5ccccc5)CC4)C[C@H]3C2)cn1 ZINC001172822671 905853562 /nfs/dbraw/zinc/85/35/62/905853562.db2.gz QJHLQLNEUGEGNV-QYCHZZNASA-N 2 2 392.591 3.975 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCC(Cc5ccccc5)CC4)C[C@H]3C2)cn1 ZINC001172822671 905853576 /nfs/dbraw/zinc/85/35/76/905853576.db2.gz QJHLQLNEUGEGNV-QYCHZZNASA-N 2 2 392.591 3.975 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C4CCC(Cc5ccccc5)CC4)C[C@H]3C2)cn1 ZINC001172822671 905853584 /nfs/dbraw/zinc/85/35/84/905853584.db2.gz QJHLQLNEUGEGNV-QYCHZZNASA-N 2 2 392.591 3.975 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000177263793 906080755 /nfs/dbraw/zinc/08/07/55/906080755.db2.gz CUVDSFXVYNTONQ-KNQAVFIVSA-N 2 2 375.520 3.752 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000177263793 906080772 /nfs/dbraw/zinc/08/07/72/906080772.db2.gz CUVDSFXVYNTONQ-KNQAVFIVSA-N 2 2 375.520 3.752 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3ccnc3)nc2)CC[NH+]1Cc1ccccc1 ZINC000177263793 906080792 /nfs/dbraw/zinc/08/07/92/906080792.db2.gz CUVDSFXVYNTONQ-KNQAVFIVSA-N 2 2 375.520 3.752 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3ccnc3)nc2)CC[NH+]1Cc1ccccc1 ZINC000177263793 906080815 /nfs/dbraw/zinc/08/08/15/906080815.db2.gz CUVDSFXVYNTONQ-KNQAVFIVSA-N 2 2 375.520 3.752 20 0 GHADLP COc1cccc2c1C[C@H]([N@@H+]1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)CO2 ZINC001173166609 906224714 /nfs/dbraw/zinc/22/47/14/906224714.db2.gz UNKGNDXMKHEXMR-RDPSFJRHSA-N 2 2 378.516 3.597 20 0 GHADLP COc1cccc2c1C[C@H]([N@H+]1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)CO2 ZINC001173166609 906224730 /nfs/dbraw/zinc/22/47/30/906224730.db2.gz UNKGNDXMKHEXMR-RDPSFJRHSA-N 2 2 378.516 3.597 20 0 GHADLP COc1cccc2c1C[C@H]([NH+]1CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C1)CO2 ZINC001173166609 906224745 /nfs/dbraw/zinc/22/47/45/906224745.db2.gz UNKGNDXMKHEXMR-RDPSFJRHSA-N 2 2 378.516 3.597 20 0 GHADLP COc1cccc2c1C[C@H]([NH+]1CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C1)CO2 ZINC001173166609 906224759 /nfs/dbraw/zinc/22/47/59/906224759.db2.gz UNKGNDXMKHEXMR-RDPSFJRHSA-N 2 2 378.516 3.597 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1nc2ccc(Cl)cc2n1C ZINC000180026467 906668040 /nfs/dbraw/zinc/66/80/40/906668040.db2.gz SHABWSUVDZITES-INIZCTEOSA-N 2 2 398.938 3.910 20 0 GHADLP CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cccnc3N3CC[NH+](C)CC3)oc21 ZINC000181591521 907034936 /nfs/dbraw/zinc/03/49/36/907034936.db2.gz RIKDXCOPBMGWKI-QGZVFWFLSA-N 2 2 394.519 3.829 20 0 GHADLP CC[NH+]1CCN(c2ccc(Nc3ccc(C[NH+]4CCOCC4)cc3)cc2F)CC1 ZINC001174445291 907039407 /nfs/dbraw/zinc/03/94/07/907039407.db2.gz BTGUSHBZGTVNQP-UHFFFAOYSA-N 2 2 398.526 3.543 20 0 GHADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000183806102 907460934 /nfs/dbraw/zinc/46/09/34/907460934.db2.gz JBJJDVUGRLXFGX-MSOLQXFVSA-N 2 2 397.519 3.510 20 0 GHADLP C[C@@H](C[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)NC(=O)OC(C)(C)C ZINC001175381090 907528417 /nfs/dbraw/zinc/52/84/17/907528417.db2.gz DJJKKVHOJBAIHS-OFAXGOBFSA-N 2 2 387.568 3.744 20 0 GHADLP C[C@@H](C[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)NC(=O)OC(C)(C)C ZINC001175381090 907528431 /nfs/dbraw/zinc/52/84/31/907528431.db2.gz DJJKKVHOJBAIHS-OFAXGOBFSA-N 2 2 387.568 3.744 20 0 GHADLP C[C@@H](C[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)NC(=O)OC(C)(C)C ZINC001175381090 907528436 /nfs/dbraw/zinc/52/84/36/907528436.db2.gz DJJKKVHOJBAIHS-OFAXGOBFSA-N 2 2 387.568 3.744 20 0 GHADLP C[C@@H](C[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)NC(=O)OC(C)(C)C ZINC001175381090 907528445 /nfs/dbraw/zinc/52/84/45/907528445.db2.gz DJJKKVHOJBAIHS-OFAXGOBFSA-N 2 2 387.568 3.744 20 0 GHADLP CC[N@@H+](Cc1cc(-c2cnn(C)c2C)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000184590609 907615829 /nfs/dbraw/zinc/61/58/29/907615829.db2.gz AAEUMAWIQUYSTM-UHFFFAOYSA-N 2 2 394.523 3.517 20 0 GHADLP CC[N@H+](Cc1cc(-c2cnn(C)c2C)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000184590609 907615838 /nfs/dbraw/zinc/61/58/38/907615838.db2.gz AAEUMAWIQUYSTM-UHFFFAOYSA-N 2 2 394.523 3.517 20 0 GHADLP Brc1ccc2[nH+]cc(Nc3cccc(C[NH+]4CCOCC4)c3)n2c1 ZINC001175856442 907798234 /nfs/dbraw/zinc/79/82/34/907798234.db2.gz IOUNFQVZHAAZQI-UHFFFAOYSA-N 2 2 387.281 3.673 20 0 GHADLP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000187195015 908054137 /nfs/dbraw/zinc/05/41/37/908054137.db2.gz KKCMFNWSOPSZME-UHFFFAOYSA-N 2 2 381.929 3.511 20 0 GHADLP CC1(C)C[NH2+]CC[C@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000632943329 908160651 /nfs/dbraw/zinc/16/06/51/908160651.db2.gz FCUHUTMNVXLBAX-KRWDZBQOSA-N 2 2 379.508 3.502 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000366220085 921388168 /nfs/dbraw/zinc/38/81/68/921388168.db2.gz COEGUVYXEQCOPF-VTZPFEBOSA-N 3 2 392.591 3.794 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000366220085 921388180 /nfs/dbraw/zinc/38/81/80/921388180.db2.gz COEGUVYXEQCOPF-VTZPFEBOSA-N 3 2 392.591 3.794 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000366220085 921388191 /nfs/dbraw/zinc/38/81/91/921388191.db2.gz COEGUVYXEQCOPF-VTZPFEBOSA-N 3 2 392.591 3.794 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366220085 921388209 /nfs/dbraw/zinc/38/82/09/921388209.db2.gz COEGUVYXEQCOPF-VTZPFEBOSA-N 3 2 392.591 3.794 20 0 GHADLP C[NH+]1CCN(c2ccc(Nc3cc[nH+]c4cc(Br)ccc34)cn2)CC1 ZINC001176653835 908220394 /nfs/dbraw/zinc/22/03/94/908220394.db2.gz HSOGCHCNOPCTTK-UHFFFAOYSA-N 2 2 398.308 3.888 20 0 GHADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3c(C)nn(C(C)(C)C)c3nc2Cl)C1 ZINC001177483245 908593696 /nfs/dbraw/zinc/59/36/96/908593696.db2.gz KFXGKEFRFVRQDZ-OAHLLOKOSA-N 2 2 377.964 3.970 20 0 GHADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc3c(C)nn(C(C)(C)C)c3nc2Cl)C1 ZINC001177483245 908593699 /nfs/dbraw/zinc/59/36/99/908593699.db2.gz KFXGKEFRFVRQDZ-OAHLLOKOSA-N 2 2 377.964 3.970 20 0 GHADLP CCCOc1c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cccc1OCC ZINC001177804785 908764798 /nfs/dbraw/zinc/76/47/98/908764798.db2.gz RTMMFJRSPPCCOC-HXUWFJFHSA-N 2 2 376.541 3.607 20 0 GHADLP COc1ccc(OCc2nc(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)cs2)cc1 ZINC000634733148 908815599 /nfs/dbraw/zinc/81/55/99/908815599.db2.gz XWFGFJRLRMSKBK-HNNXBMFYSA-N 2 2 375.538 3.599 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]CC[C@@H](C)[N@H+](C)Cc3ccccc3)cc12 ZINC001177954171 908837917 /nfs/dbraw/zinc/83/79/17/908837917.db2.gz ANYOOHPAFXDEOB-OAHLLOKOSA-N 2 2 385.943 3.930 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc3ccccc3)cc12 ZINC001177954171 908837933 /nfs/dbraw/zinc/83/79/33/908837933.db2.gz ANYOOHPAFXDEOB-OAHLLOKOSA-N 2 2 385.943 3.930 20 0 GHADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1 ZINC001178276331 908980263 /nfs/dbraw/zinc/98/02/63/908980263.db2.gz MFXROWHCBQYVFD-IBGZPJMESA-N 2 2 384.854 3.813 20 0 GHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(Cl)c2Br)CCCO1 ZINC001178473947 909071807 /nfs/dbraw/zinc/07/18/07/909071807.db2.gz XQDUAUKHUFSNCO-ZDUSSCGKSA-N 2 2 375.738 3.693 20 0 GHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(Cl)c2Br)CCCO1 ZINC001178473947 909071838 /nfs/dbraw/zinc/07/18/38/909071838.db2.gz XQDUAUKHUFSNCO-ZDUSSCGKSA-N 2 2 375.738 3.693 20 0 GHADLP Oc1cccc2c1C[C@@H]([NH2+]Cc1ccc(OCCn3cc[nH+]c3)c(Cl)c1)C2 ZINC001178488245 909078215 /nfs/dbraw/zinc/07/82/15/909078215.db2.gz QVXMSAPFTWYBAC-KRWDZBQOSA-N 2 2 383.879 3.578 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)[NH+]2CCCC2)cc1 ZINC000635452020 909254364 /nfs/dbraw/zinc/25/43/64/909254364.db2.gz BOIIZKSVAYEJLR-QZTJIDSGSA-N 2 2 394.441 3.638 20 0 GHADLP CC(C)c1[nH+]ccn1CC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000635603517 909300948 /nfs/dbraw/zinc/30/09/48/909300948.db2.gz PJHVBJRBUUJANN-UHFFFAOYSA-N 2 2 380.492 3.548 20 0 GHADLP CC(C)c1[nH+]ccn1CC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000635603517 909300966 /nfs/dbraw/zinc/30/09/66/909300966.db2.gz PJHVBJRBUUJANN-UHFFFAOYSA-N 2 2 380.492 3.548 20 0 GHADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000635760684 909341780 /nfs/dbraw/zinc/34/17/80/909341780.db2.gz VCZJMZYBCUQEPV-QGZVFWFLSA-N 2 2 380.414 3.654 20 0 GHADLP COc1ccccc1[C@H](C)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001179402186 909505301 /nfs/dbraw/zinc/50/53/01/909505301.db2.gz PYUJADJVQXLCNX-ZDUSSCGKSA-N 2 2 378.419 3.929 20 0 GHADLP CN(C(=O)Nc1ccnc(Cl)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245555562 909730939 /nfs/dbraw/zinc/73/09/39/909730939.db2.gz SYLAMOYQRNREAR-QZTJIDSGSA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1ccnc(Cl)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245555562 909730945 /nfs/dbraw/zinc/73/09/45/909730945.db2.gz SYLAMOYQRNREAR-QZTJIDSGSA-N 2 2 393.963 3.536 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cnc2ccsc2c1 ZINC000268796694 910022026 /nfs/dbraw/zinc/02/20/26/910022026.db2.gz GFBASNITNKZFOW-MRXNPFEDSA-N 2 2 394.544 3.535 20 0 GHADLP CC[N@H+](Cc1cn(C)nc1Cl)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001180292495 910077162 /nfs/dbraw/zinc/07/71/62/910077162.db2.gz MVUAFOUOTGFMHK-UHFFFAOYSA-N 2 2 390.963 3.786 20 0 GHADLP CC[N@@H+](Cc1cn(C)nc1Cl)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001180292495 910077177 /nfs/dbraw/zinc/07/71/77/910077177.db2.gz MVUAFOUOTGFMHK-UHFFFAOYSA-N 2 2 390.963 3.786 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000270234530 910489938 /nfs/dbraw/zinc/48/99/38/910489938.db2.gz IVBBGZZNZBRTEW-IBGZPJMESA-N 2 2 391.519 3.694 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)CC12CCC[NH+]1CCC2)c1ccc(Cl)cc1Cl ZINC001181110782 910542145 /nfs/dbraw/zinc/54/21/45/910542145.db2.gz NZOARBITLSFXDW-KRWDZBQOSA-N 2 2 384.351 3.731 20 0 GHADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270396179 910549291 /nfs/dbraw/zinc/54/92/91/910549291.db2.gz YQSBDQNBFSKHJL-GOSISDBHSA-N 2 2 393.535 3.797 20 0 GHADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270396179 910549298 /nfs/dbraw/zinc/54/92/98/910549298.db2.gz YQSBDQNBFSKHJL-GOSISDBHSA-N 2 2 393.535 3.797 20 0 GHADLP Cc1ccc(-c2cnc(C[NH+]3CCC(N4CC[NH+](C(C)C)CC4)CC3)o2)cc1 ZINC000270970664 910743616 /nfs/dbraw/zinc/74/36/16/910743616.db2.gz WECJCBREHTWLPR-UHFFFAOYSA-N 2 2 382.552 3.640 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000271466981 910914623 /nfs/dbraw/zinc/91/46/23/910914623.db2.gz GWZIORHXGXATJQ-CYFREDJKSA-N 2 2 395.547 3.965 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2ccnc(C[NH+](C)C)c2)c(C)c1 ZINC000640612237 911083560 /nfs/dbraw/zinc/08/35/60/911083560.db2.gz NVLIQJOUUMZJMT-NRFANRHFSA-N 2 2 392.507 3.520 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H](C(=O)NCc1[nH+]cn2ccccc12)c1ccccc1 ZINC001182243602 911326264 /nfs/dbraw/zinc/32/62/64/911326264.db2.gz HUMJRRMHMOLYQX-QHCPKHFHSA-N 2 2 384.483 3.824 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H](C(=O)NCc1[nH+]cn2ccccc12)c1ccccc1 ZINC001182243602 911326288 /nfs/dbraw/zinc/32/62/88/911326288.db2.gz HUMJRRMHMOLYQX-QHCPKHFHSA-N 2 2 384.483 3.824 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCc2ccccc21 ZINC001182733888 912014044 /nfs/dbraw/zinc/01/40/44/912014044.db2.gz HBTPOOGQRFVHAM-HXUWFJFHSA-N 2 2 380.532 3.559 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCc2ccccc21 ZINC001182733888 912014060 /nfs/dbraw/zinc/01/40/60/912014060.db2.gz HBTPOOGQRFVHAM-HXUWFJFHSA-N 2 2 380.532 3.559 20 0 GHADLP COCOc1ccc(OC)cc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336940 912204010 /nfs/dbraw/zinc/20/40/10/912204010.db2.gz IKXIUNYITLSHBP-FQEVSTJZSA-N 2 2 384.520 3.632 20 0 GHADLP COCOc1ccc(OC)cc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336940 912204034 /nfs/dbraw/zinc/20/40/34/912204034.db2.gz IKXIUNYITLSHBP-FQEVSTJZSA-N 2 2 384.520 3.632 20 0 GHADLP COCOc1ccc(OC)cc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336940 912204047 /nfs/dbraw/zinc/20/40/47/912204047.db2.gz IKXIUNYITLSHBP-FQEVSTJZSA-N 2 2 384.520 3.632 20 0 GHADLP COCOc1ccc(OC)cc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336940 912204064 /nfs/dbraw/zinc/20/40/64/912204064.db2.gz IKXIUNYITLSHBP-FQEVSTJZSA-N 2 2 384.520 3.632 20 0 GHADLP COc1ncncc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000647184486 915076169 /nfs/dbraw/zinc/07/61/69/915076169.db2.gz JYYKTIZGISVAHS-YJBOKZPZSA-N 2 2 394.441 3.677 20 0 GHADLP COc1ncncc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000647184486 915076187 /nfs/dbraw/zinc/07/61/87/915076187.db2.gz JYYKTIZGISVAHS-YJBOKZPZSA-N 2 2 394.441 3.677 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000291293414 915084664 /nfs/dbraw/zinc/08/46/64/915084664.db2.gz JBYKNIOMHQBWIM-DYESRHJHSA-N 2 2 393.535 3.977 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ncc(Br)cc1F ZINC000647343941 915164206 /nfs/dbraw/zinc/16/42/06/915164206.db2.gz GBKFOSYTBRIIEJ-UNEWFSDZSA-N 2 2 392.316 3.979 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ncc(Br)cc1F ZINC000647343941 915164213 /nfs/dbraw/zinc/16/42/13/915164213.db2.gz GBKFOSYTBRIIEJ-UNEWFSDZSA-N 2 2 392.316 3.979 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC([NH+]2CC=CC2)CC1 ZINC000291500273 915216121 /nfs/dbraw/zinc/21/61/21/915216121.db2.gz NORBSRLGKSHNHJ-UHFFFAOYSA-N 2 2 391.519 3.755 20 0 GHADLP C[NH+](C)[C@H]1CCCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000291573635 915256816 /nfs/dbraw/zinc/25/68/16/915256816.db2.gz WRUFZJUIDHKTEK-IBGZPJMESA-N 2 2 381.524 3.834 20 0 GHADLP CN(C(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000647815010 915396969 /nfs/dbraw/zinc/39/69/69/915396969.db2.gz LBKAMFLSVHJBGS-DEOSSOPVSA-N 2 2 395.522 3.590 20 0 GHADLP CN(C(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000647815010 915396983 /nfs/dbraw/zinc/39/69/83/915396983.db2.gz LBKAMFLSVHJBGS-DEOSSOPVSA-N 2 2 395.522 3.590 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000647934055 915442614 /nfs/dbraw/zinc/44/26/14/915442614.db2.gz DVMHLJHATXQDRV-CTNGQTDRSA-N 2 2 379.552 3.663 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000647934055 915442626 /nfs/dbraw/zinc/44/26/26/915442626.db2.gz DVMHLJHATXQDRV-CTNGQTDRSA-N 2 2 379.552 3.663 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000648874340 915919148 /nfs/dbraw/zinc/91/91/48/915919148.db2.gz JONVDEIIEZQHER-CYBMUJFWSA-N 2 2 393.329 3.859 20 0 GHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](C)C1 ZINC000648892004 915928591 /nfs/dbraw/zinc/92/85/91/915928591.db2.gz JLTAZHCVQNGKEF-MOPGFXCFSA-N 2 2 398.551 3.528 20 0 GHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](C)C1 ZINC000648892004 915928599 /nfs/dbraw/zinc/92/85/99/915928599.db2.gz JLTAZHCVQNGKEF-MOPGFXCFSA-N 2 2 398.551 3.528 20 0 GHADLP Cn1c[nH+]cc1CN1CC2(CCC1=O)CC[NH+](Cc1ccc(Cl)s1)CC2 ZINC001275695628 916081807 /nfs/dbraw/zinc/08/18/07/916081807.db2.gz SRGHYRFGHKSMFI-UHFFFAOYSA-N 2 2 392.956 3.540 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1OCc1ccncc1 ZINC000293584009 916277560 /nfs/dbraw/zinc/27/75/60/916277560.db2.gz HYYMMDRTECWZBX-HSZRJFAPSA-N 2 2 381.520 3.587 20 0 GHADLP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1OCc1ccncc1 ZINC000293584009 916277577 /nfs/dbraw/zinc/27/75/77/916277577.db2.gz HYYMMDRTECWZBX-HSZRJFAPSA-N 2 2 381.520 3.587 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1OCc1ccncc1 ZINC000293584009 916277595 /nfs/dbraw/zinc/27/75/95/916277595.db2.gz HYYMMDRTECWZBX-HSZRJFAPSA-N 2 2 381.520 3.587 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1OCc1ccncc1 ZINC000293584009 916277613 /nfs/dbraw/zinc/27/76/13/916277613.db2.gz HYYMMDRTECWZBX-HSZRJFAPSA-N 2 2 381.520 3.587 20 0 GHADLP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000649772109 916390553 /nfs/dbraw/zinc/39/05/53/916390553.db2.gz BPHGKYPRUAIDII-QGZVFWFLSA-N 2 2 377.960 3.510 20 0 GHADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651692838 917695152 /nfs/dbraw/zinc/69/51/52/917695152.db2.gz UIFGIEVMWURMMP-IBGZPJMESA-N 2 2 387.531 3.746 20 0 GHADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651692839 917695759 /nfs/dbraw/zinc/69/57/59/917695759.db2.gz UIFGIEVMWURMMP-LJQANCHMSA-N 2 2 387.531 3.746 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC001191367634 917971150 /nfs/dbraw/zinc/97/11/50/917971150.db2.gz RSRVNGITWJMWPJ-QHCPKHFHSA-N 2 2 388.515 3.965 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC001191367634 917971162 /nfs/dbraw/zinc/97/11/62/917971162.db2.gz RSRVNGITWJMWPJ-QHCPKHFHSA-N 2 2 388.515 3.965 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCC[NH+]4CCCC[C@H]34)n2)C1 ZINC000653925754 918593269 /nfs/dbraw/zinc/59/32/69/918593269.db2.gz YFHBBCAXSVIMIF-KBAYOESNSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCC[NH+]4CCCC[C@H]34)n2)C1 ZINC000653925754 918593275 /nfs/dbraw/zinc/59/32/75/918593275.db2.gz YFHBBCAXSVIMIF-KBAYOESNSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n2)C1 ZINC000653925754 918593285 /nfs/dbraw/zinc/59/32/85/918593285.db2.gz YFHBBCAXSVIMIF-KBAYOESNSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)n2)C1 ZINC000653925754 918593295 /nfs/dbraw/zinc/59/32/95/918593295.db2.gz YFHBBCAXSVIMIF-KBAYOESNSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CCC[NH+]4CCCC[C@@H]34)n2)C1 ZINC000653925756 918594382 /nfs/dbraw/zinc/59/43/82/918594382.db2.gz YFHBBCAXSVIMIF-NJAFHUGGSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CCC[NH+]4CCCC[C@@H]34)n2)C1 ZINC000653925756 918594431 /nfs/dbraw/zinc/59/44/31/918594431.db2.gz YFHBBCAXSVIMIF-NJAFHUGGSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)n2)C1 ZINC000653925756 918594473 /nfs/dbraw/zinc/59/44/73/918594473.db2.gz YFHBBCAXSVIMIF-NJAFHUGGSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)n2)C1 ZINC000653925756 918594483 /nfs/dbraw/zinc/59/44/83/918594483.db2.gz YFHBBCAXSVIMIF-NJAFHUGGSA-N 2 2 391.585 3.513 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000298776608 920916686 /nfs/dbraw/zinc/91/66/86/920916686.db2.gz WHQXBYWLQNVGQU-UHFFFAOYSA-N 2 2 388.515 3.634 20 0 GHADLP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367147779 921944032 /nfs/dbraw/zinc/94/40/32/921944032.db2.gz VCEZLVPCNIYBQK-GOSISDBHSA-N 2 2 399.583 3.515 20 0 GHADLP CC[N@H+](Cc1cn(C(C)C)nn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000367302631 922025100 /nfs/dbraw/zinc/02/51/00/922025100.db2.gz VQHOYOKBDYTSIM-UHFFFAOYSA-N 2 2 385.560 3.572 20 0 GHADLP CC[N@@H+](Cc1cn(C(C)C)nn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000367302631 922025108 /nfs/dbraw/zinc/02/51/08/922025108.db2.gz VQHOYOKBDYTSIM-UHFFFAOYSA-N 2 2 385.560 3.572 20 0 GHADLP COc1ccc(C[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccc(OC)cc2)cc1 ZINC000368102523 922475503 /nfs/dbraw/zinc/47/55/03/922475503.db2.gz OIZUFVNEUWBLDH-XMSQKQJNSA-N 2 2 377.488 3.858 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902832812 922541070 /nfs/dbraw/zinc/54/10/70/922541070.db2.gz QKNXVPASSNTPNQ-LJQANCHMSA-N 3 2 390.531 3.680 20 0 GHADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2csc(CC(=O)Nc3ccccc3)n2)CCC1 ZINC000903813251 923308706 /nfs/dbraw/zinc/30/87/06/923308706.db2.gz ZNBFZDWLQCMEDU-IBGZPJMESA-N 2 2 398.576 3.808 20 0 GHADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2csc(CC(=O)Nc3ccccc3)n2)CCC1 ZINC000903813251 923308721 /nfs/dbraw/zinc/30/87/21/923308721.db2.gz ZNBFZDWLQCMEDU-IBGZPJMESA-N 2 2 398.576 3.808 20 0 GHADLP CC[C@@]1(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[NH2+]C1 ZINC000370843605 924324606 /nfs/dbraw/zinc/32/46/06/924324606.db2.gz PXRUMJGUDWIUEZ-XMMPIXPASA-N 2 2 388.515 3.604 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000677653477 924440354 /nfs/dbraw/zinc/44/03/54/924440354.db2.gz AOANYHVQMJHGCA-IAGOWNOFSA-N 2 2 384.351 3.513 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000677653477 924440356 /nfs/dbraw/zinc/44/03/56/924440356.db2.gz AOANYHVQMJHGCA-IAGOWNOFSA-N 2 2 384.351 3.513 20 0 GHADLP CCc1cc(N2CCC([NH2+][C@@H]3C[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)ncn1 ZINC000677806829 924505506 /nfs/dbraw/zinc/50/55/06/924505506.db2.gz PLBPKAKJEPRIKJ-QFIPXVFZSA-N 2 2 393.579 3.651 20 0 GHADLP CCc1cc(N2CCC([NH2+][C@@H]3C[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)ncn1 ZINC000677806829 924505511 /nfs/dbraw/zinc/50/55/11/924505511.db2.gz PLBPKAKJEPRIKJ-QFIPXVFZSA-N 2 2 393.579 3.651 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(F)cc3Br)CC2)CC1 ZINC000371348991 924538478 /nfs/dbraw/zinc/53/84/78/924538478.db2.gz DXBTZPMIRVIEEK-UHFFFAOYSA-N 2 2 398.364 3.579 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1nnc2n1CCCCC2 ZINC000371664390 924758477 /nfs/dbraw/zinc/75/84/77/924758477.db2.gz HVAMNKFUKYVPNT-ZIBCJSCZSA-N 2 2 379.552 3.566 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1nnc2n1CCCCC2 ZINC000371664390 924758486 /nfs/dbraw/zinc/75/84/86/924758486.db2.gz HVAMNKFUKYVPNT-ZIBCJSCZSA-N 2 2 379.552 3.566 20 0 GHADLP CC[N@H+](CCC1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1)CC1CC1 ZINC000678436684 924769627 /nfs/dbraw/zinc/76/96/27/924769627.db2.gz LIIPNHMVYDDEOJ-UHFFFAOYSA-N 2 2 398.595 3.546 20 0 GHADLP CC[N@@H+](CCC1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1)CC1CC1 ZINC000678436684 924769637 /nfs/dbraw/zinc/76/96/37/924769637.db2.gz LIIPNHMVYDDEOJ-UHFFFAOYSA-N 2 2 398.595 3.546 20 0 GHADLP CN(Cc1cc(Cl)ccc1OC(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678718763 924893973 /nfs/dbraw/zinc/89/39/73/924893973.db2.gz CAHHPOUXCPESDI-KRWDZBQOSA-N 2 2 387.902 3.542 20 0 GHADLP CN(Cc1cc(Cl)ccc1OC(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678718763 924893978 /nfs/dbraw/zinc/89/39/78/924893978.db2.gz CAHHPOUXCPESDI-KRWDZBQOSA-N 2 2 387.902 3.542 20 0 GHADLP CCCCCn1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000679101467 925029846 /nfs/dbraw/zinc/02/98/46/925029846.db2.gz KTRUGRFQBSTKON-LJQANCHMSA-N 2 2 396.579 3.730 20 0 GHADLP CCCCCn1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000679101467 925029852 /nfs/dbraw/zinc/02/98/52/925029852.db2.gz KTRUGRFQBSTKON-LJQANCHMSA-N 2 2 396.579 3.730 20 0 GHADLP O=C1[C@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000679217220 925069183 /nfs/dbraw/zinc/06/91/83/925069183.db2.gz WBKJZPWQHZFXRS-MLGOLLRUSA-N 2 2 379.291 3.701 20 0 GHADLP O=C1[C@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000679217220 925069201 /nfs/dbraw/zinc/06/92/01/925069201.db2.gz WBKJZPWQHZFXRS-MLGOLLRUSA-N 2 2 379.291 3.701 20 0 GHADLP CN(C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681999372 925978432 /nfs/dbraw/zinc/97/84/32/925978432.db2.gz YBTWXLRZXFTLRO-SBHAEUEKSA-N 2 2 392.632 3.791 20 0 GHADLP CN(C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681999372 925978441 /nfs/dbraw/zinc/97/84/41/925978441.db2.gz YBTWXLRZXFTLRO-SBHAEUEKSA-N 2 2 392.632 3.791 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000411418851 926385317 /nfs/dbraw/zinc/38/53/17/926385317.db2.gz FZZAUMSEHQIDCQ-HNNXBMFYSA-N 2 2 385.899 3.621 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000411418851 926385321 /nfs/dbraw/zinc/38/53/21/926385321.db2.gz FZZAUMSEHQIDCQ-HNNXBMFYSA-N 2 2 385.899 3.621 20 0 GHADLP C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)Cc2ccccc21 ZINC000725795450 926440885 /nfs/dbraw/zinc/44/08/85/926440885.db2.gz VIYAZJTUQDKNBA-GOSISDBHSA-N 2 2 395.572 3.793 20 0 GHADLP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)Cc2ccccc21 ZINC000725795450 926440893 /nfs/dbraw/zinc/44/08/93/926440893.db2.gz VIYAZJTUQDKNBA-GOSISDBHSA-N 2 2 395.572 3.793 20 0 GHADLP CCOC(=O)c1ccc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000411538693 926504163 /nfs/dbraw/zinc/50/41/63/926504163.db2.gz KZVUUKDCMVWSGK-QZTJIDSGSA-N 2 2 381.520 3.505 20 0 GHADLP CN(Cc1cccs1)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000411686138 926643131 /nfs/dbraw/zinc/64/31/31/926643131.db2.gz CNXHAMREGXADJP-FQEVSTJZSA-N 2 2 385.577 3.597 20 0 GHADLP CN(Cc1cccs1)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000411686138 926643138 /nfs/dbraw/zinc/64/31/38/926643138.db2.gz CNXHAMREGXADJP-FQEVSTJZSA-N 2 2 385.577 3.597 20 0 GHADLP O=C1CCC2(CC[NH+](Cc3csc(Cl)c3)CC2)CN1CCn1cc[nH+]c1 ZINC001276205176 927360445 /nfs/dbraw/zinc/36/04/45/927360445.db2.gz GFFSNHBEVJIESK-UHFFFAOYSA-N 2 2 392.956 3.503 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467140354 928747373 /nfs/dbraw/zinc/74/73/73/928747373.db2.gz XFGLZTMTENWIBM-DLBZAZTESA-N 2 2 380.536 3.734 20 0 GHADLP COc1ccc2c(c1)[C@@H](Nc1ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]1)CCS2 ZINC000467419254 929051930 /nfs/dbraw/zinc/05/19/30/929051930.db2.gz PXTMLTUZLOQMAB-APWZRJJASA-N 2 2 384.549 3.880 20 0 GHADLP CC[N@@H+](Cc1cc2c(cc1OC)OCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000546255381 929997824 /nfs/dbraw/zinc/99/78/24/929997824.db2.gz HFKIIHHARBPGGI-LJQANCHMSA-N 2 2 382.504 3.768 20 0 GHADLP CC[N@H+](Cc1cc2c(cc1OC)OCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000546255381 929997827 /nfs/dbraw/zinc/99/78/27/929997827.db2.gz HFKIIHHARBPGGI-LJQANCHMSA-N 2 2 382.504 3.768 20 0 GHADLP CC[NH+](Cc1cc2c(cc1OC)OCO2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546255381 929997830 /nfs/dbraw/zinc/99/78/30/929997830.db2.gz HFKIIHHARBPGGI-LJQANCHMSA-N 2 2 382.504 3.768 20 0 GHADLP CC[NH+](Cc1cc2c(cc1OC)OCO2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546255381 929997836 /nfs/dbraw/zinc/99/78/36/929997836.db2.gz HFKIIHHARBPGGI-LJQANCHMSA-N 2 2 382.504 3.768 20 0 GHADLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cc(-c2ccccc2)no1 ZINC000924926646 931587127 /nfs/dbraw/zinc/58/71/27/931587127.db2.gz DUMGZHDLDGVJMB-CVDCTZTESA-N 2 2 390.531 3.981 20 0 GHADLP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCCc3c(Cl)ccnc32)c2ccccc2)CC1 ZINC000924928018 931588150 /nfs/dbraw/zinc/58/81/50/931588150.db2.gz NTCRAPWBJOWVBN-RTWAWAEBSA-N 2 2 384.955 3.691 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2cn(C(C)C)nn2)CC1 ZINC000924958923 931594854 /nfs/dbraw/zinc/59/48/54/931594854.db2.gz BFSSJLNTFXXNDO-IRXDYDNUSA-N 2 2 388.535 3.552 20 0 GHADLP CCc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2cccnc2)cc1 ZINC000925560110 931823345 /nfs/dbraw/zinc/82/33/45/931823345.db2.gz YMZJWRPNXGUQGH-SGNDLWITSA-N 2 2 379.548 3.701 20 0 GHADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1)[NH+](C)C ZINC000558572019 932080429 /nfs/dbraw/zinc/08/04/29/932080429.db2.gz QWLWCCOGOPHYAS-NTKDMRAZSA-N 2 2 390.531 3.590 20 0 GHADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000558829348 932260074 /nfs/dbraw/zinc/26/00/74/932260074.db2.gz HKFXPKNFWWQZGY-LJQANCHMSA-N 2 2 395.522 3.941 20 0 GHADLP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000926867029 932330816 /nfs/dbraw/zinc/33/08/16/932330816.db2.gz ZUHZCRMUMAPNGB-SSKFGXFMSA-N 2 2 380.467 3.619 20 0 GHADLP CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000926912485 932347163 /nfs/dbraw/zinc/34/71/63/932347163.db2.gz YPZXLKATHPBMDY-KRWDZBQOSA-N 2 2 383.517 3.559 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]C[C@]3(C)CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000798498266 932672357 /nfs/dbraw/zinc/67/23/57/932672357.db2.gz PNWZEQLCOKDKLC-QFIPXVFZSA-N 2 2 397.954 3.932 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]C[C@]3(C)CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000798498266 932672363 /nfs/dbraw/zinc/67/23/63/932672363.db2.gz PNWZEQLCOKDKLC-QFIPXVFZSA-N 2 2 397.954 3.932 20 0 GHADLP CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001115984803 933269860 /nfs/dbraw/zinc/26/98/60/933269860.db2.gz DGWFBOUGUDHCDP-FQEVSTJZSA-N 2 2 394.523 3.526 20 0 GHADLP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001115984803 933269865 /nfs/dbraw/zinc/26/98/65/933269865.db2.gz DGWFBOUGUDHCDP-FQEVSTJZSA-N 2 2 394.523 3.526 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc(Cl)cc(Cl)c1 ZINC000560585466 933362165 /nfs/dbraw/zinc/36/21/65/933362165.db2.gz UBTMPCSPVOUYGW-ZBHOBAHQSA-N 2 2 384.351 3.728 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc(Cl)cc(Cl)c1 ZINC000560585466 933362172 /nfs/dbraw/zinc/36/21/72/933362172.db2.gz UBTMPCSPVOUYGW-ZBHOBAHQSA-N 2 2 384.351 3.728 20 0 GHADLP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001116450084 933566436 /nfs/dbraw/zinc/56/64/36/933566436.db2.gz QUDTVZOFABHFDI-QHCPKHFHSA-N 2 2 392.547 3.713 20 0 GHADLP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001116450084 933566443 /nfs/dbraw/zinc/56/64/43/933566443.db2.gz QUDTVZOFABHFDI-QHCPKHFHSA-N 2 2 392.547 3.713 20 0 GHADLP COc1cccc(C[NH+]2CCC([NH2+]C[C@@H](O)Cc3cccc(Cl)c3)CC2)c1 ZINC001120467304 934466534 /nfs/dbraw/zinc/46/65/34/934466534.db2.gz IUGAAYRIMJTOGH-NRFANRHFSA-N 2 2 388.939 3.506 20 0 GHADLP CCOc1ccc(NC(=O)CC[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000562067207 934669948 /nfs/dbraw/zinc/66/99/48/934669948.db2.gz BLXJPYYSOJTGST-UHFFFAOYSA-N 2 2 383.492 3.661 20 0 GHADLP C[C@H](c1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)c1)[NH+]1CCOCC1 ZINC000932000418 934796240 /nfs/dbraw/zinc/79/62/40/934796240.db2.gz OUBNYZYSFJBYRL-GOSISDBHSA-N 2 2 397.519 3.911 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H](Oc3n[nH]c4c3CC[NH+](Cc3ccccc3)C4)C2)cc1 ZINC001226703901 1032083003 /nfs/dbraw/zinc/08/30/03/1032083003.db2.gz GUDZGZIJJLZOIW-NRFANRHFSA-N 2 2 388.515 3.621 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H](Oc3n[nH]c4c3CC[NH+](Cc3ccccc3)C4)C2)cc1 ZINC001226703901 1032083020 /nfs/dbraw/zinc/08/30/20/1032083020.db2.gz GUDZGZIJJLZOIW-NRFANRHFSA-N 2 2 388.515 3.621 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](Oc3n[nH]c4c3CC[N@H+](Cc3ccccc3)C4)C2)cc1 ZINC001226703901 1032083038 /nfs/dbraw/zinc/08/30/38/1032083038.db2.gz GUDZGZIJJLZOIW-NRFANRHFSA-N 2 2 388.515 3.621 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](Oc3n[nH]c4c3CC[N@@H+](Cc3ccccc3)C4)C2)cc1 ZINC001226703901 1032083048 /nfs/dbraw/zinc/08/30/48/1032083048.db2.gz GUDZGZIJJLZOIW-NRFANRHFSA-N 2 2 388.515 3.621 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000545205235 1015653717 /nfs/dbraw/zinc/65/37/17/1015653717.db2.gz KDHVGKIXUQAZSX-UHFFFAOYSA-N 2 2 398.469 3.744 20 0 GHADLP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)cnn1C(C)C ZINC000468828327 1016080632 /nfs/dbraw/zinc/08/06/32/1016080632.db2.gz DJVGQAZBEYFTAU-FQEVSTJZSA-N 2 2 383.584 3.944 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000468853077 1016113166 /nfs/dbraw/zinc/11/31/66/1016113166.db2.gz DYWQPJCCKCKPLK-GASCZTMLSA-N 2 2 398.378 3.947 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000468853077 1016113173 /nfs/dbraw/zinc/11/31/73/1016113173.db2.gz DYWQPJCCKCKPLK-GASCZTMLSA-N 2 2 398.378 3.947 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC001204209000 1032659239 /nfs/dbraw/zinc/65/92/39/1032659239.db2.gz NDKNQQGOVLSLIH-SFHVURJKSA-N 2 2 376.447 3.813 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC001204209000 1032659245 /nfs/dbraw/zinc/65/92/45/1032659245.db2.gz NDKNQQGOVLSLIH-SFHVURJKSA-N 2 2 376.447 3.813 20 0 GHADLP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c2cccnc2)cc1 ZINC000925558493 1017103968 /nfs/dbraw/zinc/10/39/68/1017103968.db2.gz FQUGEBBWKZPMPG-VXNXHJTFSA-N 2 2 379.548 3.837 20 0 GHADLP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n(C)n1 ZINC000926329354 1017251169 /nfs/dbraw/zinc/25/11/69/1017251169.db2.gz DHVXIVJBBILKNO-NZJQCLFZSA-N 2 2 398.517 3.835 20 0 GHADLP Fc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1Cl ZINC001204283986 1032726582 /nfs/dbraw/zinc/72/65/82/1032726582.db2.gz ZFKKTRDDHHPWPM-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1Cl ZINC001204283986 1032726595 /nfs/dbraw/zinc/72/65/95/1032726595.db2.gz ZFKKTRDDHHPWPM-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1Cl ZINC001204283986 1032726619 /nfs/dbraw/zinc/72/66/19/1032726619.db2.gz ZFKKTRDDHHPWPM-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Cc1[nH]c2ccccc2c1C[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001204291697 1032734836 /nfs/dbraw/zinc/73/48/36/1032734836.db2.gz OPDHJDIXLNQGIU-UHFFFAOYSA-N 2 2 376.504 3.743 20 0 GHADLP CCn1ccnc1C[N@H+](C/C=C\c1ccccc1OC)[C@@H]1CC12CC[NH2+]CC2 ZINC000562630668 1018445327 /nfs/dbraw/zinc/44/53/27/1018445327.db2.gz JMIOXBFYGTZSMH-RFFSMVSESA-N 2 2 380.536 3.569 20 0 GHADLP CCn1ccnc1C[N@@H+](C/C=C\c1ccccc1OC)[C@@H]1CC12CC[NH2+]CC2 ZINC000562630668 1018445334 /nfs/dbraw/zinc/44/53/34/1018445334.db2.gz JMIOXBFYGTZSMH-RFFSMVSESA-N 2 2 380.536 3.569 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(C[NH+]4CCCCC4)o3)sc2C1 ZINC000935339010 1018987587 /nfs/dbraw/zinc/98/75/87/1018987587.db2.gz AQNPDXQHUOTNRN-UHFFFAOYSA-N 2 2 388.537 3.741 20 0 GHADLP CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(C[NH+]4CCCCC4)o3)sc2C1 ZINC000935339010 1018987589 /nfs/dbraw/zinc/98/75/89/1018987589.db2.gz AQNPDXQHUOTNRN-UHFFFAOYSA-N 2 2 388.537 3.741 20 0 GHADLP CC(=O)n1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c2ccccc21 ZINC001204404124 1032827331 /nfs/dbraw/zinc/82/73/31/1032827331.db2.gz DZDULFKFVLYXJU-ROUUACIJSA-N 2 2 379.529 3.927 20 0 GHADLP COc1ccccc1C[N@@H+](Cc1cccs1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000570332978 1019585646 /nfs/dbraw/zinc/58/56/46/1019585646.db2.gz GDOZVXFFSNSYIF-VXKWHMMOSA-N 2 2 396.556 3.690 20 0 GHADLP COc1ccccc1C[N@H+](Cc1cccs1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000570332978 1019585653 /nfs/dbraw/zinc/58/56/53/1019585653.db2.gz GDOZVXFFSNSYIF-VXKWHMMOSA-N 2 2 396.556 3.690 20 0 GHADLP Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000570509308 1019628311 /nfs/dbraw/zinc/62/83/11/1019628311.db2.gz XSJZKNBWHLNULT-REWPJTCUSA-N 2 2 379.504 3.579 20 0 GHADLP C[NH2+]CC1CC[NH+](Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)CC1 ZINC000576041154 1019972169 /nfs/dbraw/zinc/97/21/69/1019972169.db2.gz NLAZVSSHXJAJLG-UHFFFAOYSA-N 2 2 392.956 3.913 20 0 GHADLP FC(F)(F)c1ccc(-n2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000576147761 1019984147 /nfs/dbraw/zinc/98/41/47/1019984147.db2.gz LINLJQNCDAYPOI-INIZCTEOSA-N 2 2 378.442 3.809 20 0 GHADLP FC(F)(F)c1ccc(-n2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000576147761 1019984148 /nfs/dbraw/zinc/98/41/48/1019984148.db2.gz LINLJQNCDAYPOI-INIZCTEOSA-N 2 2 378.442 3.809 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3c(O)ccc(Cl)c3F)c2)CCO1 ZINC000190868829 1020735983 /nfs/dbraw/zinc/73/59/83/1020735983.db2.gz HSVXLJLUZYQLRN-CQSZACIVSA-N 2 2 378.875 3.695 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3c(O)ccc(Cl)c3F)c2)CCO1 ZINC000190868829 1020735990 /nfs/dbraw/zinc/73/59/90/1020735990.db2.gz HSVXLJLUZYQLRN-CQSZACIVSA-N 2 2 378.875 3.695 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3ccc4c(c3)CCO4)CC2)cc1 ZINC000834885499 1021612504 /nfs/dbraw/zinc/61/25/04/1021612504.db2.gz ACXJRMLKHVPLTI-QGZVFWFLSA-N 2 2 393.531 3.895 20 0 GHADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2cncc(Br)c2)cc1 ZINC000903566295 1021613732 /nfs/dbraw/zinc/61/37/32/1021613732.db2.gz OMWUCEVXGNZTGH-APWZRJJASA-N 2 2 390.325 3.732 20 0 GHADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2c2cncc(Br)c2)cc1 ZINC000903566295 1021613741 /nfs/dbraw/zinc/61/37/41/1021613741.db2.gz OMWUCEVXGNZTGH-APWZRJJASA-N 2 2 390.325 3.732 20 0 GHADLP Fc1cc(F)c(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(F)c1 ZINC001140531056 1021927081 /nfs/dbraw/zinc/92/70/81/1021927081.db2.gz BPNWGMIXAXLAIC-UHFFFAOYSA-N 2 2 375.438 3.987 20 0 GHADLP Fc1cc(F)c(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(F)c1 ZINC001140531056 1021927087 /nfs/dbraw/zinc/92/70/87/1021927087.db2.gz BPNWGMIXAXLAIC-UHFFFAOYSA-N 2 2 375.438 3.987 20 0 GHADLP Fc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC001140537565 1021933843 /nfs/dbraw/zinc/93/38/43/1021933843.db2.gz MXECOFBKSQVLKK-UHFFFAOYSA-N 2 2 378.875 3.939 20 0 GHADLP Fc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC001140537565 1021933848 /nfs/dbraw/zinc/93/38/48/1021933848.db2.gz MXECOFBKSQVLKK-UHFFFAOYSA-N 2 2 378.875 3.939 20 0 GHADLP Cc1cc(OC(F)(F)F)ccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001140962358 1023015631 /nfs/dbraw/zinc/01/56/31/1023015631.db2.gz JFGUKLCDFAOWOL-QZTJIDSGSA-N 2 2 391.437 3.852 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccccn4)s3)CC2)C1 ZINC001141006921 1023178953 /nfs/dbraw/zinc/17/89/53/1023178953.db2.gz PLHZWWIXNXMFFT-KRWDZBQOSA-N 2 2 399.560 3.660 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(-c4ccccn4)s3)CC2)C1 ZINC001141006921 1023178961 /nfs/dbraw/zinc/17/89/61/1023178961.db2.gz PLHZWWIXNXMFFT-KRWDZBQOSA-N 2 2 399.560 3.660 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc3c2cnn3[C@@H]2CCCCO2)C1 ZINC001204898652 1033153247 /nfs/dbraw/zinc/15/32/47/1033153247.db2.gz YXKIQRJDOGFROO-MBSDFSHPSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc3c2cnn3[C@@H]2CCCCO2)C1 ZINC001204898652 1033153260 /nfs/dbraw/zinc/15/32/60/1033153260.db2.gz YXKIQRJDOGFROO-MBSDFSHPSA-N 2 2 376.504 3.935 20 0 GHADLP CCc1ccccc1C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001141229186 1024214143 /nfs/dbraw/zinc/21/41/43/1024214143.db2.gz MPQNHIOFCZCUFS-HXUWFJFHSA-N 2 2 387.568 3.812 20 0 GHADLP CCc1ccccc1C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001141229186 1024214159 /nfs/dbraw/zinc/21/41/59/1024214159.db2.gz MPQNHIOFCZCUFS-HXUWFJFHSA-N 2 2 387.568 3.812 20 0 GHADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)ccc1Cl ZINC001141232890 1024229429 /nfs/dbraw/zinc/22/94/29/1024229429.db2.gz AYYIIJQJNYPKFN-DYXWJJEUSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)ccc1Cl ZINC001141232890 1024229438 /nfs/dbraw/zinc/22/94/38/1024229438.db2.gz AYYIIJQJNYPKFN-DYXWJJEUSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)ccc1Cl ZINC001141232890 1024229451 /nfs/dbraw/zinc/22/94/51/1024229451.db2.gz AYYIIJQJNYPKFN-DYXWJJEUSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)ccc1Cl ZINC001141232890 1024229465 /nfs/dbraw/zinc/22/94/65/1024229465.db2.gz AYYIIJQJNYPKFN-DYXWJJEUSA-N 2 2 387.959 3.613 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC)c(Cl)c1)C2 ZINC001138472413 1024901251 /nfs/dbraw/zinc/90/12/51/1024901251.db2.gz GIWSDTGFZSWGER-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC)c(Cl)c1)C2 ZINC001138472413 1024901256 /nfs/dbraw/zinc/90/12/56/1024901256.db2.gz GIWSDTGFZSWGER-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OC)c(Cl)c1)C2 ZINC001138472413 1024901261 /nfs/dbraw/zinc/90/12/61/1024901261.db2.gz GIWSDTGFZSWGER-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OC)c(Cl)c1)C2 ZINC001138472413 1024901264 /nfs/dbraw/zinc/90/12/64/1024901264.db2.gz GIWSDTGFZSWGER-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001138544548 1024987946 /nfs/dbraw/zinc/98/79/46/1024987946.db2.gz LFGVSDJMKHXWKT-BGYRXZFFSA-N 3 2 378.545 3.806 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001138544548 1024987953 /nfs/dbraw/zinc/98/79/53/1024987953.db2.gz LFGVSDJMKHXWKT-BGYRXZFFSA-N 3 2 378.545 3.806 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001138544548 1024987960 /nfs/dbraw/zinc/98/79/60/1024987960.db2.gz LFGVSDJMKHXWKT-BGYRXZFFSA-N 3 2 378.545 3.806 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001138544548 1024987965 /nfs/dbraw/zinc/98/79/65/1024987965.db2.gz LFGVSDJMKHXWKT-BGYRXZFFSA-N 3 2 378.545 3.806 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)ccc1OC(C)C ZINC001138572532 1025045786 /nfs/dbraw/zinc/04/57/86/1025045786.db2.gz WHNJVBFZDFUWIW-HSZRJFAPSA-N 2 2 390.568 3.805 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)ccc1OC(C)C ZINC001138572532 1025045797 /nfs/dbraw/zinc/04/57/97/1025045797.db2.gz WHNJVBFZDFUWIW-HSZRJFAPSA-N 2 2 390.568 3.805 20 0 GHADLP COc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)ccc1OC(C)C ZINC001138572532 1025045809 /nfs/dbraw/zinc/04/58/09/1025045809.db2.gz WHNJVBFZDFUWIW-HSZRJFAPSA-N 2 2 390.568 3.805 20 0 GHADLP COc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)ccc1OC(C)C ZINC001138572532 1025045823 /nfs/dbraw/zinc/04/58/23/1025045823.db2.gz WHNJVBFZDFUWIW-HSZRJFAPSA-N 2 2 390.568 3.805 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)cc1 ZINC001138773558 1025345205 /nfs/dbraw/zinc/34/52/05/1025345205.db2.gz HQDDYPPNAHWSTB-UHFFFAOYSA-N 3 2 399.554 3.863 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)cc1 ZINC001138773558 1025345216 /nfs/dbraw/zinc/34/52/16/1025345216.db2.gz HQDDYPPNAHWSTB-UHFFFAOYSA-N 3 2 399.554 3.863 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(OCC(C)C)cc3)CC2)C1 ZINC001138970276 1025686780 /nfs/dbraw/zinc/68/67/80/1025686780.db2.gz PSBHBUVENCUIJV-HXUWFJFHSA-N 2 2 388.552 3.571 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(OCC(C)C)cc3)CC2)C1 ZINC001138970276 1025686790 /nfs/dbraw/zinc/68/67/90/1025686790.db2.gz PSBHBUVENCUIJV-HXUWFJFHSA-N 2 2 388.552 3.571 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2C1 ZINC000839186387 1025702419 /nfs/dbraw/zinc/70/24/19/1025702419.db2.gz LGAOSLDVJAGOOI-UFYCRDLUSA-N 2 2 396.535 3.998 20 0 GHADLP O=C(c1ccccc1F)C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001139059732 1025850391 /nfs/dbraw/zinc/85/03/91/1025850391.db2.gz HXRAAIODJONMKH-UHFFFAOYSA-N 2 2 396.506 3.753 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccsc1 ZINC001141610310 1025880599 /nfs/dbraw/zinc/88/05/99/1025880599.db2.gz IWONIGFDFAZVRT-FQEVSTJZSA-N 2 2 382.533 3.676 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4nsnc4c3)C[C@@H]21 ZINC001139212544 1026064884 /nfs/dbraw/zinc/06/48/84/1026064884.db2.gz GXZXUZSSKAVDFI-ZWCUEREDSA-N 2 2 393.560 3.819 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4nsnc4c3)C[C@@H]21 ZINC001139212544 1026064904 /nfs/dbraw/zinc/06/49/04/1026064904.db2.gz GXZXUZSSKAVDFI-ZWCUEREDSA-N 2 2 393.560 3.819 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4nsnc4c3)C[C@@H]21 ZINC001139212544 1026064925 /nfs/dbraw/zinc/06/49/25/1026064925.db2.gz GXZXUZSSKAVDFI-ZWCUEREDSA-N 2 2 393.560 3.819 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4nsnc4c3)C[C@@H]21 ZINC001139212544 1026064944 /nfs/dbraw/zinc/06/49/44/1026064944.db2.gz GXZXUZSSKAVDFI-ZWCUEREDSA-N 2 2 393.560 3.819 20 0 GHADLP FC(F)(F)Oc1ccc(-c2cc[nH+]c(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC001163313667 1026139009 /nfs/dbraw/zinc/13/90/09/1026139009.db2.gz YGRFZIFSDWQVNZ-APWZRJJASA-N 2 2 393.409 3.970 20 0 GHADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC001139333528 1026194453 /nfs/dbraw/zinc/19/44/53/1026194453.db2.gz XDYWIYRVNINXET-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC001139333528 1026194462 /nfs/dbraw/zinc/19/44/62/1026194462.db2.gz XDYWIYRVNINXET-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC001139333549 1026194677 /nfs/dbraw/zinc/19/46/77/1026194677.db2.gz YRYDYOAURGEYKB-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC001139333549 1026194685 /nfs/dbraw/zinc/19/46/85/1026194685.db2.gz YRYDYOAURGEYKB-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP O=C(c1ccco1)N1CCCC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001139355772 1026228310 /nfs/dbraw/zinc/22/83/10/1026228310.db2.gz AQXFAYOCJMDJDD-UHFFFAOYSA-N 2 2 390.487 3.736 20 0 GHADLP CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC001139357004 1026229083 /nfs/dbraw/zinc/22/90/83/1026229083.db2.gz WRGHXHSCSBIMLZ-SFHVURJKSA-N 2 2 382.508 3.561 20 0 GHADLP CC(C)(C)OC(=O)N1CC([C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC001139357004 1026229095 /nfs/dbraw/zinc/22/90/95/1026229095.db2.gz WRGHXHSCSBIMLZ-SFHVURJKSA-N 2 2 382.508 3.561 20 0 GHADLP CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360046 1026232300 /nfs/dbraw/zinc/23/23/00/1026232300.db2.gz GNKUQNSLQMLPQI-CTXDPNEZSA-N 2 2 382.508 3.892 20 0 GHADLP CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360046 1026232308 /nfs/dbraw/zinc/23/23/08/1026232308.db2.gz GNKUQNSLQMLPQI-CTXDPNEZSA-N 2 2 382.508 3.892 20 0 GHADLP COc1ccc(Cl)cc1N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001139363117 1026239154 /nfs/dbraw/zinc/23/91/54/1026239154.db2.gz WLMYWCAAFVRKAO-UHFFFAOYSA-N 2 2 382.895 3.857 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CCN(c3cc(C)[nH+]c(C4CCC4)n3)C2)ccn1 ZINC001163787412 1026315678 /nfs/dbraw/zinc/31/56/78/1026315678.db2.gz BOTPULMRCJNSPP-HXUWFJFHSA-N 2 2 381.524 3.557 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(c3cc(C)[nH+]c(C4CCC4)n3)C2)ccn1 ZINC001163787412 1026315688 /nfs/dbraw/zinc/31/56/88/1026315688.db2.gz BOTPULMRCJNSPP-HXUWFJFHSA-N 2 2 381.524 3.557 20 0 GHADLP COc1ccc2[nH+]c(N3CCC(COCC[NH+]4CCCC4)CC3)cc(C)c2c1 ZINC001163881430 1026349499 /nfs/dbraw/zinc/34/94/99/1026349499.db2.gz FPTUSRGJDIICPC-UHFFFAOYSA-N 2 2 383.536 3.881 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)C1 ZINC001139542756 1026404406 /nfs/dbraw/zinc/40/44/06/1026404406.db2.gz PDEXOGPOZCEYOZ-OAHLLOKOSA-N 2 2 376.382 3.938 20 0 GHADLP CCN(CC)c1cc(N2CCN(c3cc(C)[nH+]c4ccccc43)CC2)nc[nH+]1 ZINC001164199468 1026448144 /nfs/dbraw/zinc/44/81/44/1026448144.db2.gz TWEADSZURBLNPX-UHFFFAOYSA-N 2 2 376.508 3.506 20 0 GHADLP CCN(CC)c1cc(N2CCN(c3cc(C)[nH+]c4ccccc43)CC2)[nH+]cn1 ZINC001164199468 1026448151 /nfs/dbraw/zinc/44/81/51/1026448151.db2.gz TWEADSZURBLNPX-UHFFFAOYSA-N 2 2 376.508 3.506 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001139654228 1026516194 /nfs/dbraw/zinc/51/61/94/1026516194.db2.gz XOVZYQMEXTYVOT-UHFFFAOYSA-N 2 2 393.597 3.957 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001139654228 1026516199 /nfs/dbraw/zinc/51/61/99/1026516199.db2.gz XOVZYQMEXTYVOT-UHFFFAOYSA-N 2 2 393.597 3.957 20 0 GHADLP Cn1c(=O)cc(C[NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC001139762096 1026600029 /nfs/dbraw/zinc/60/00/29/1026600029.db2.gz WAMIYAFBLILRRM-UHFFFAOYSA-N 2 2 393.506 3.774 20 0 GHADLP Cn1c(=O)cc(C[NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC001139762096 1026600040 /nfs/dbraw/zinc/60/00/40/1026600040.db2.gz WAMIYAFBLILRRM-UHFFFAOYSA-N 2 2 393.506 3.774 20 0 GHADLP Fc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763352 1026601495 /nfs/dbraw/zinc/60/14/95/1026601495.db2.gz KHIRNFOPNAKRHC-QHCPKHFHSA-N 2 2 384.495 3.874 20 0 GHADLP Fc1ccccc1[C@@H]1CCC[N@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763352 1026601500 /nfs/dbraw/zinc/60/15/00/1026601500.db2.gz KHIRNFOPNAKRHC-QHCPKHFHSA-N 2 2 384.495 3.874 20 0 GHADLP CCCN(CCC)c1cc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc[nH+]1 ZINC001165306547 1026698845 /nfs/dbraw/zinc/69/88/45/1026698845.db2.gz RHYGXQKPGZCAEC-OAHLLOKOSA-N 2 2 385.478 3.756 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2cncc4ccccc42)CC3)n1 ZINC001139895766 1026712494 /nfs/dbraw/zinc/71/24/94/1026712494.db2.gz MFPZWGWVFGJXFG-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2cncc4ccccc42)CC3)n1 ZINC001139895766 1026712501 /nfs/dbraw/zinc/71/25/01/1026712501.db2.gz MFPZWGWVFGJXFG-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001140025713 1026812858 /nfs/dbraw/zinc/81/28/58/1026812858.db2.gz SFIHUQHAXMIFSJ-VQTJNVASSA-N 2 2 393.560 3.734 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001140025713 1026812868 /nfs/dbraw/zinc/81/28/68/1026812868.db2.gz SFIHUQHAXMIFSJ-VQTJNVASSA-N 2 2 393.560 3.734 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001140025715 1026813295 /nfs/dbraw/zinc/81/32/95/1026813295.db2.gz SFIHUQHAXMIFSJ-WOJBJXKFSA-N 2 2 393.560 3.734 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001140025715 1026813302 /nfs/dbraw/zinc/81/33/02/1026813302.db2.gz SFIHUQHAXMIFSJ-WOJBJXKFSA-N 2 2 393.560 3.734 20 0 GHADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CCN(C)C(=O)OC(C)(C)C)C[C@@H]21 ZINC001202994971 1026821156 /nfs/dbraw/zinc/82/11/56/1026821156.db2.gz HBWXSINXBKDMEU-ACRUOGEOSA-N 2 2 387.568 3.964 20 0 GHADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CCN(C)C(=O)OC(C)(C)C)C[C@@H]21 ZINC001202994971 1026821162 /nfs/dbraw/zinc/82/11/62/1026821162.db2.gz HBWXSINXBKDMEU-ACRUOGEOSA-N 2 2 387.568 3.964 20 0 GHADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](CCN(C)C(=O)OC(C)(C)C)C[C@@H]21 ZINC001202994971 1026821164 /nfs/dbraw/zinc/82/11/64/1026821164.db2.gz HBWXSINXBKDMEU-ACRUOGEOSA-N 2 2 387.568 3.964 20 0 GHADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](CCN(C)C(=O)OC(C)(C)C)C[C@@H]21 ZINC001202994971 1026821171 /nfs/dbraw/zinc/82/11/71/1026821171.db2.gz HBWXSINXBKDMEU-ACRUOGEOSA-N 2 2 387.568 3.964 20 0 GHADLP COc1c(Cl)cccc1C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001140059240 1026838551 /nfs/dbraw/zinc/83/85/51/1026838551.db2.gz BBRUQNVZAKOHDH-UHFFFAOYSA-N 2 2 388.943 3.713 20 0 GHADLP COc1c(Cl)cccc1C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001140059240 1026838558 /nfs/dbraw/zinc/83/85/58/1026838558.db2.gz BBRUQNVZAKOHDH-UHFFFAOYSA-N 2 2 388.943 3.713 20 0 GHADLP CC[NH+]1CCC(CC2CC[NH+](Cc3c(Br)cnn3C)CC2)CC1 ZINC001209712947 1027109984 /nfs/dbraw/zinc/10/99/84/1027109984.db2.gz LTVNMTTXOBAJFV-UHFFFAOYSA-N 2 2 383.378 3.517 20 0 GHADLP CC[NH+](CC)Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001209823462 1027221915 /nfs/dbraw/zinc/22/19/15/1027221915.db2.gz GPJDFYIJHLDUGM-UHFFFAOYSA-N 2 2 383.536 3.983 20 0 GHADLP Fc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001203405976 1027318509 /nfs/dbraw/zinc/31/85/09/1027318509.db2.gz WDFXWUPEZMWVCU-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cccc(Cl)c1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001203405976 1027318526 /nfs/dbraw/zinc/31/85/26/1027318526.db2.gz WDFXWUPEZMWVCU-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cccc(Cl)c1C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001203405976 1027318545 /nfs/dbraw/zinc/31/85/45/1027318545.db2.gz WDFXWUPEZMWVCU-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cccc(Cl)c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001203405976 1027318559 /nfs/dbraw/zinc/31/85/59/1027318559.db2.gz WDFXWUPEZMWVCU-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP COc1ccc(OC)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001203526017 1027406533 /nfs/dbraw/zinc/40/65/33/1027406533.db2.gz ULSUSXUMPCZMQH-OFAXGOBFSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(OC)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001203526017 1027406540 /nfs/dbraw/zinc/40/65/40/1027406540.db2.gz ULSUSXUMPCZMQH-OFAXGOBFSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(OC)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001203526017 1027406547 /nfs/dbraw/zinc/40/65/47/1027406547.db2.gz ULSUSXUMPCZMQH-OFAXGOBFSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(OC)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001203526017 1027406551 /nfs/dbraw/zinc/40/65/51/1027406551.db2.gz ULSUSXUMPCZMQH-OFAXGOBFSA-N 2 2 395.547 3.831 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCc3ccnn3-c3ccccc3)CC2)cc1 ZINC001203720882 1027554185 /nfs/dbraw/zinc/55/41/85/1027554185.db2.gz DCMQCOTXTOCTIJ-UHFFFAOYSA-N 2 2 389.547 3.739 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC001203810811 1027625250 /nfs/dbraw/zinc/62/52/50/1027625250.db2.gz KHOPRMPZADLDLL-UHFFFAOYSA-N 2 2 393.531 3.655 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC001203810811 1027625258 /nfs/dbraw/zinc/62/52/58/1027625258.db2.gz KHOPRMPZADLDLL-UHFFFAOYSA-N 2 2 393.531 3.655 20 0 GHADLP O[C@H]1CCCC[C@H]1CC[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001203872094 1027672562 /nfs/dbraw/zinc/67/25/62/1027672562.db2.gz LPYXBKTWKJFWDM-HKUYNNGSSA-N 2 2 377.916 3.646 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C(F)(F)F)c1)C2 ZINC001203886473 1027683104 /nfs/dbraw/zinc/68/31/04/1027683104.db2.gz PPWGLRJFAQBIAY-UXHICEINSA-N 2 2 382.470 3.886 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C(F)(F)F)c1)C2 ZINC001203886473 1027683115 /nfs/dbraw/zinc/68/31/15/1027683115.db2.gz PPWGLRJFAQBIAY-UXHICEINSA-N 2 2 382.470 3.886 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC001203886473 1027683126 /nfs/dbraw/zinc/68/31/26/1027683126.db2.gz PPWGLRJFAQBIAY-UXHICEINSA-N 2 2 382.470 3.886 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC001203886473 1027683139 /nfs/dbraw/zinc/68/31/39/1027683139.db2.gz PPWGLRJFAQBIAY-UXHICEINSA-N 2 2 382.470 3.886 20 0 GHADLP C[NH2+]Cc1ccc(Nc2ccc[nH+]c2N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001211128432 1027801753 /nfs/dbraw/zinc/80/17/53/1027801753.db2.gz FLQKSFOIYQKRQE-UHFFFAOYSA-N 2 2 397.523 3.602 20 0 GHADLP C[NH2+]Cc1cccc(Nc2cncnc2[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001211135934 1027805114 /nfs/dbraw/zinc/80/51/14/1027805114.db2.gz LADCTXHETDLWTC-JOCHJYFZSA-N 2 2 389.503 3.513 20 0 GHADLP C[NH2+]Cc1cccc(Nc2cncnc2[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001211135934 1027805131 /nfs/dbraw/zinc/80/51/31/1027805131.db2.gz LADCTXHETDLWTC-JOCHJYFZSA-N 2 2 389.503 3.513 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc3cc(F)c(F)cc3nc1Cl)CC2 ZINC001142040255 1027932694 /nfs/dbraw/zinc/93/26/94/1027932694.db2.gz OIFWFWLOAPDHMY-UHFFFAOYSA-N 2 2 394.853 3.796 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccc5c(c4)OCCCO5)C3)C2)cc1 ZINC001142271930 1028541261 /nfs/dbraw/zinc/54/12/61/1028541261.db2.gz XXNQVXZAMQVURZ-DEOSSOPVSA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccc5c(c4)OCCCO5)C3)C2)cc1 ZINC001142271930 1028541280 /nfs/dbraw/zinc/54/12/80/1028541280.db2.gz XXNQVXZAMQVURZ-DEOSSOPVSA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccc5c(c4)OCCCO5)C3)C2)cc1 ZINC001142271930 1028541290 /nfs/dbraw/zinc/54/12/90/1028541290.db2.gz XXNQVXZAMQVURZ-DEOSSOPVSA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccc5c(c4)OCCCO5)C3)C2)cc1 ZINC001142271930 1028541303 /nfs/dbraw/zinc/54/13/03/1028541303.db2.gz XXNQVXZAMQVURZ-DEOSSOPVSA-N 2 2 378.516 3.946 20 0 GHADLP CN(C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CCC([NH3+])CC1 ZINC000841692203 1028843705 /nfs/dbraw/zinc/84/37/05/1028843705.db2.gz GLBQHAYIDVPOBD-JMLCCBQJSA-N 2 2 396.938 3.527 20 0 GHADLP CNc1nc(Cl)ncc1C[NH+]1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001142482721 1028981668 /nfs/dbraw/zinc/98/16/68/1028981668.db2.gz MHZFAQBVNNXAAI-QGZVFWFLSA-N 2 2 389.931 3.641 20 0 GHADLP CNc1nc(Cl)ncc1C[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001142482721 1028981669 /nfs/dbraw/zinc/98/16/69/1028981669.db2.gz MHZFAQBVNNXAAI-QGZVFWFLSA-N 2 2 389.931 3.641 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)o1 ZINC001142621612 1029166963 /nfs/dbraw/zinc/16/69/63/1029166963.db2.gz PVSGTVYNNCXZRM-ZYSHUDEJSA-N 2 2 388.533 3.860 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)o1 ZINC001142621612 1029166971 /nfs/dbraw/zinc/16/69/71/1029166971.db2.gz PVSGTVYNNCXZRM-ZYSHUDEJSA-N 2 2 388.533 3.860 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)o1 ZINC001142621612 1029166979 /nfs/dbraw/zinc/16/69/79/1029166979.db2.gz PVSGTVYNNCXZRM-ZYSHUDEJSA-N 2 2 388.533 3.860 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)o1 ZINC001142621612 1029166984 /nfs/dbraw/zinc/16/69/84/1029166984.db2.gz PVSGTVYNNCXZRM-ZYSHUDEJSA-N 2 2 388.533 3.860 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4nc[nH]c43)C[C@@H]21 ZINC001142686894 1029268979 /nfs/dbraw/zinc/26/89/79/1029268979.db2.gz KFOQTOMKHZVQJE-RBDMOPTHSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4nc[nH]c43)C[C@@H]21 ZINC001142686894 1029268993 /nfs/dbraw/zinc/26/89/93/1029268993.db2.gz KFOQTOMKHZVQJE-RBDMOPTHSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4nc[nH]c43)C[C@@H]21 ZINC001142686894 1029269010 /nfs/dbraw/zinc/26/90/10/1029269010.db2.gz KFOQTOMKHZVQJE-RBDMOPTHSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4nc[nH]c43)C[C@@H]21 ZINC001142686894 1029269024 /nfs/dbraw/zinc/26/90/24/1029269024.db2.gz KFOQTOMKHZVQJE-RBDMOPTHSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@@H+]1C[C@@H](C[NH2+]Cc2cc(Br)cnc2Cl)[C@H](c2ccccc2)C1 ZINC000842764830 1029573426 /nfs/dbraw/zinc/57/34/26/1029573426.db2.gz VWJLLFCONJWECL-WBVHZDCISA-N 2 2 394.744 3.933 20 0 GHADLP C[N@H+]1C[C@@H](C[NH2+]Cc2cc(Br)cnc2Cl)[C@H](c2ccccc2)C1 ZINC000842764830 1029573435 /nfs/dbraw/zinc/57/34/35/1029573435.db2.gz VWJLLFCONJWECL-WBVHZDCISA-N 2 2 394.744 3.933 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[C@H](c4ccccc4)CC3)C2)CC1 ZINC001222012065 1029931472 /nfs/dbraw/zinc/93/14/72/1029931472.db2.gz UUCHIUJJYBWCDL-BDTNDASRSA-N 2 2 398.595 3.571 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[C@H](c4ccccc4)CC3)C2)CC1 ZINC001222012065 1029931477 /nfs/dbraw/zinc/93/14/77/1029931477.db2.gz UUCHIUJJYBWCDL-BDTNDASRSA-N 2 2 398.595 3.571 20 0 GHADLP FC(F)(F)c1cccc(-n2cc(C[N@@H+]3CCC[C@]4(CCC[NH2+]C4)C3)cn2)c1 ZINC001222272645 1030042272 /nfs/dbraw/zinc/04/22/72/1030042272.db2.gz YDIHUSUUCBPBFG-IBGZPJMESA-N 2 2 378.442 3.857 20 0 GHADLP FC(F)(F)c1cccc(-n2cc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)cn2)c1 ZINC001222272645 1030042291 /nfs/dbraw/zinc/04/22/91/1030042291.db2.gz YDIHUSUUCBPBFG-IBGZPJMESA-N 2 2 378.442 3.857 20 0 GHADLP COc1ccc(Br)c(OC)c1C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320728 1030069575 /nfs/dbraw/zinc/06/95/75/1030069575.db2.gz LWQBGGSYWUHZNV-GOSISDBHSA-N 2 2 383.330 3.574 20 0 GHADLP COc1ccc(Br)c(OC)c1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320728 1030069592 /nfs/dbraw/zinc/06/95/92/1030069592.db2.gz LWQBGGSYWUHZNV-GOSISDBHSA-N 2 2 383.330 3.574 20 0 GHADLP CCOC(=O)c1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(Cl)c1 ZINC001222609871 1030234978 /nfs/dbraw/zinc/23/49/78/1030234978.db2.gz RVKGLCXIOWPAED-LJQANCHMSA-N 2 2 384.907 3.706 20 0 GHADLP CCOC(=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(Cl)c1 ZINC001222609871 1030234992 /nfs/dbraw/zinc/23/49/92/1030234992.db2.gz RVKGLCXIOWPAED-LJQANCHMSA-N 2 2 384.907 3.706 20 0 GHADLP Cc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001461651304 1069658650 /nfs/dbraw/zinc/65/86/50/1069658650.db2.gz FRRMGKXLSFYWDK-XMMPIXPASA-N 2 2 380.532 3.873 20 0 GHADLP C[N@@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc13 ZINC001218012119 1030723035 /nfs/dbraw/zinc/72/30/35/1030723035.db2.gz MJAHAYVYLAVCSL-CWJKEVGVSA-N 2 2 376.491 3.751 20 0 GHADLP C[N@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc13 ZINC001218012119 1030723048 /nfs/dbraw/zinc/72/30/48/1030723048.db2.gz MJAHAYVYLAVCSL-CWJKEVGVSA-N 2 2 376.491 3.751 20 0 GHADLP CCO[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1)C[NH+](C)C ZINC001461742681 1069717248 /nfs/dbraw/zinc/71/72/48/1069717248.db2.gz NMIZIWIROIQNQA-QHCPKHFHSA-N 2 2 392.547 3.904 20 0 GHADLP CCCCC[N@H+](C)CCC(=O)Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219456871 1031430363 /nfs/dbraw/zinc/43/03/63/1031430363.db2.gz VEXHYXQPTCFQRP-SFHVURJKSA-N 2 2 383.483 3.513 20 0 GHADLP CCCCC[N@@H+](C)CCC(=O)Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219456871 1031430380 /nfs/dbraw/zinc/43/03/80/1031430380.db2.gz VEXHYXQPTCFQRP-SFHVURJKSA-N 2 2 383.483 3.513 20 0 GHADLP O=C(N[C@H]1C[NH2+]Cc2ccsc21)c1cccc2c1C[N@H+](Cc1ccccc1)C2 ZINC001219828752 1031642887 /nfs/dbraw/zinc/64/28/87/1031642887.db2.gz DWOSPWXGFXIPRG-NRFANRHFSA-N 2 2 389.524 3.838 20 0 GHADLP O=C(N[C@H]1C[NH2+]Cc2ccsc21)c1cccc2c1C[N@@H+](Cc1ccccc1)C2 ZINC001219828752 1031642895 /nfs/dbraw/zinc/64/28/95/1031642895.db2.gz DWOSPWXGFXIPRG-NRFANRHFSA-N 2 2 389.524 3.838 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCCNc1ncnc2c1C[NH+](Cc1ccccc1)CC2 ZINC001156928385 1033322430 /nfs/dbraw/zinc/32/24/30/1033322430.db2.gz JWSMMFQSQMUCCD-LJQANCHMSA-N 2 2 379.552 3.711 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCCNc1ncnc2c1C[NH+](Cc1ccccc1)CC2 ZINC001156928385 1033322442 /nfs/dbraw/zinc/32/24/42/1033322442.db2.gz JWSMMFQSQMUCCD-LJQANCHMSA-N 2 2 379.552 3.711 20 0 GHADLP C[C@@H]1CCCC[NH+]1CCCNc1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001156928385 1033322454 /nfs/dbraw/zinc/32/24/54/1033322454.db2.gz JWSMMFQSQMUCCD-LJQANCHMSA-N 2 2 379.552 3.711 20 0 GHADLP C[C@@H]1CCCC[NH+]1CCCNc1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001156928385 1033322467 /nfs/dbraw/zinc/32/24/67/1033322467.db2.gz JWSMMFQSQMUCCD-LJQANCHMSA-N 2 2 379.552 3.711 20 0 GHADLP Cc1sc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)nc1C1CCCCC1 ZINC001205424038 1033404353 /nfs/dbraw/zinc/40/43/53/1033404353.db2.gz KBSBBOOOVRMIIM-UHFFFAOYSA-N 2 2 381.590 3.504 20 0 GHADLP Cc1sc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)nc1C1CCCCC1 ZINC001205424038 1033404372 /nfs/dbraw/zinc/40/43/72/1033404372.db2.gz KBSBBOOOVRMIIM-UHFFFAOYSA-N 2 2 381.590 3.504 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)ccc21 ZINC001205608011 1033490998 /nfs/dbraw/zinc/49/09/98/1033490998.db2.gz RZIJTJBQUKGRGX-IBGZPJMESA-N 2 2 381.524 3.687 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)ccc21 ZINC001205608011 1033491006 /nfs/dbraw/zinc/49/10/06/1033491006.db2.gz RZIJTJBQUKGRGX-IBGZPJMESA-N 2 2 381.524 3.687 20 0 GHADLP Cc1ccc(F)c(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1 ZINC001205634631 1033503704 /nfs/dbraw/zinc/50/37/04/1033503704.db2.gz ZXLWIOKAVOQWBJ-GIWBLDEGSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1ccc(F)c(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1 ZINC001205634631 1033503718 /nfs/dbraw/zinc/50/37/18/1033503718.db2.gz ZXLWIOKAVOQWBJ-GIWBLDEGSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1ccc(F)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c1 ZINC001205634631 1033503725 /nfs/dbraw/zinc/50/37/25/1033503725.db2.gz ZXLWIOKAVOQWBJ-GIWBLDEGSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1ccc(F)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c1 ZINC001205634631 1033503734 /nfs/dbraw/zinc/50/37/34/1033503734.db2.gz ZXLWIOKAVOQWBJ-GIWBLDEGSA-N 2 2 382.527 3.706 20 0 GHADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Br)c(OC(F)(F)F)c1 ZINC001205913147 1033632626 /nfs/dbraw/zinc/63/26/26/1033632626.db2.gz HFWAZDWKMFPHIA-CMPLNLGQSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(Br)c(OC(F)(F)F)c1 ZINC001205913147 1033632635 /nfs/dbraw/zinc/63/26/35/1033632635.db2.gz HFWAZDWKMFPHIA-CMPLNLGQSA-N 2 2 381.236 3.907 20 0 GHADLP CCC[N@H+]1C[C@H]2CN(c3ccc(-c4ccc(C(=O)OC)cc4)c(C)[nH+]3)C[C@H]2C1 ZINC001157690787 1033724979 /nfs/dbraw/zinc/72/49/79/1033724979.db2.gz FHZXCANQGHIRJQ-BGYRXZFFSA-N 2 2 379.504 3.622 20 0 GHADLP CCC[N@@H+]1C[C@H]2CN(c3ccc(-c4ccc(C(=O)OC)cc4)c(C)[nH+]3)C[C@H]2C1 ZINC001157690787 1033724996 /nfs/dbraw/zinc/72/49/96/1033724996.db2.gz FHZXCANQGHIRJQ-BGYRXZFFSA-N 2 2 379.504 3.622 20 0 GHADLP FC(F)(F)Oc1ccc([C@@H]2CCCN2c2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC001157865279 1033801760 /nfs/dbraw/zinc/80/17/60/1033801760.db2.gz CDMTXKKTIMHZTH-SFHVURJKSA-N 2 2 392.425 3.731 20 0 GHADLP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)s1 ZINC001206343892 1033804968 /nfs/dbraw/zinc/80/49/68/1033804968.db2.gz KNCXPQNNTMYPKV-MRXNPFEDSA-N 2 2 390.450 3.820 20 0 GHADLP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)s1 ZINC001206343892 1033804983 /nfs/dbraw/zinc/80/49/83/1033804983.db2.gz KNCXPQNNTMYPKV-MRXNPFEDSA-N 2 2 390.450 3.820 20 0 GHADLP Cc1ccc(C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC2CC2)cn1 ZINC001206418283 1033834993 /nfs/dbraw/zinc/83/49/93/1033834993.db2.gz BWIZVHQJGAAEJD-UHFFFAOYSA-N 2 2 395.547 3.513 20 0 GHADLP Cc1ccc(C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC2CC2)cn1 ZINC001206418283 1033835006 /nfs/dbraw/zinc/83/50/06/1033835006.db2.gz BWIZVHQJGAAEJD-UHFFFAOYSA-N 2 2 395.547 3.513 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(C[N@@H+]2CCCC[C@@H]2C)cn1 ZINC001206496760 1033874537 /nfs/dbraw/zinc/87/45/37/1033874537.db2.gz PPUSVKMECYTGTR-IBGZPJMESA-N 2 2 395.547 3.964 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(C[N@H+]2CCCC[C@@H]2C)cn1 ZINC001206496760 1033874549 /nfs/dbraw/zinc/87/45/49/1033874549.db2.gz PPUSVKMECYTGTR-IBGZPJMESA-N 2 2 395.547 3.964 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001206511398 1033884511 /nfs/dbraw/zinc/88/45/11/1033884511.db2.gz ZXNCJLIUNKNZAW-UHFFFAOYSA-N 2 2 392.543 3.762 20 0 GHADLP O=C(CC1=C(c2ccccc2)[NH2+]C(c2ccccc2)S1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158192830 1033958898 /nfs/dbraw/zinc/95/88/98/1033958898.db2.gz GPMJFHAXSQTZKA-RBUKOAKNSA-N 2 2 390.532 3.582 20 0 GHADLP Cc1cc(C(F)(F)N(c2cc(C)[nH+]c(C)n2)C2CC[NH2+]CC2)cc(Cl)n1 ZINC001158388722 1034056726 /nfs/dbraw/zinc/05/67/26/1034056726.db2.gz VSUHLLDGVWZFJN-UHFFFAOYSA-N 2 2 381.858 3.758 20 0 GHADLP C[N@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001207370167 1034312312 /nfs/dbraw/zinc/31/23/12/1034312312.db2.gz KTPCAXDGVXIDML-NRFANRHFSA-N 2 2 387.568 3.982 20 0 GHADLP C[N@@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001207370167 1034312324 /nfs/dbraw/zinc/31/23/24/1034312324.db2.gz KTPCAXDGVXIDML-NRFANRHFSA-N 2 2 387.568 3.982 20 0 GHADLP CC(C)COc1ncc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)cc1Cl ZINC001159323663 1034544728 /nfs/dbraw/zinc/54/47/28/1034544728.db2.gz PDJXOEQZMSWKDH-UHFFFAOYSA-N 2 2 375.904 3.836 20 0 GHADLP [NH3+]C1CCN(c2ccc(Nc3ccc(C(=O)N4CCCC4)cc3Cl)c[nH+]2)CC1 ZINC001159323657 1034545147 /nfs/dbraw/zinc/54/51/47/1034545147.db2.gz OYUWUPOAESINHT-UHFFFAOYSA-N 2 2 399.926 3.642 20 0 GHADLP C[C@@H]1C[C@H]([NH3+])C[C@@H](c2ccncc2Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC001159390018 1034575722 /nfs/dbraw/zinc/57/57/22/1034575722.db2.gz MLTKIXAMHGMPNZ-IHPCNDPISA-N 2 2 380.536 3.888 20 0 GHADLP CC[N@H+](C[C@H]1[C@@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)C1CC[NH+](C)CC1 ZINC001207821189 1034597877 /nfs/dbraw/zinc/59/78/77/1034597877.db2.gz HNZJXMXRKLGHEX-RDJZCZTQSA-N 2 2 389.531 3.541 20 0 GHADLP CC[N@@H+](C[C@H]1[C@@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)C1CC[NH+](C)CC1 ZINC001207821189 1034597891 /nfs/dbraw/zinc/59/78/91/1034597891.db2.gz HNZJXMXRKLGHEX-RDJZCZTQSA-N 2 2 389.531 3.541 20 0 GHADLP Cc1cc(N2CC[NH+](CCCc3cccc(C(F)(F)F)c3)CC2)nc(C)[nH+]1 ZINC001207844390 1034619842 /nfs/dbraw/zinc/61/98/42/1034619842.db2.gz NIVQYGNTQUMGES-UHFFFAOYSA-N 2 2 378.442 3.867 20 0 GHADLP Nc1[nH+]c(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)ccc1Cl ZINC001159519741 1034635160 /nfs/dbraw/zinc/63/51/60/1034635160.db2.gz JCUHCWLXFDNDMM-IBGZPJMESA-N 2 2 396.922 3.792 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](C[C@H]4CCC(C)=C[C@@H]4C)CC[C@@H]3C2)cs1 ZINC001208176276 1034775961 /nfs/dbraw/zinc/77/59/61/1034775961.db2.gz QAYFNDIUMUFZKY-RJJVWVDVSA-N 2 2 389.609 3.967 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](C[C@H]4CCC(C)=C[C@@H]4C)CC[C@@H]3C2)cs1 ZINC001208176276 1034775969 /nfs/dbraw/zinc/77/59/69/1034775969.db2.gz QAYFNDIUMUFZKY-RJJVWVDVSA-N 2 2 389.609 3.967 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](C[C@H]4CCC(C)=C[C@@H]4C)CC[C@@H]3C2)cs1 ZINC001208176276 1034775983 /nfs/dbraw/zinc/77/59/83/1034775983.db2.gz QAYFNDIUMUFZKY-RJJVWVDVSA-N 2 2 389.609 3.967 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](C[C@H]4CCC(C)=C[C@@H]4C)CC[C@@H]3C2)cs1 ZINC001208176276 1034775996 /nfs/dbraw/zinc/77/59/96/1034775996.db2.gz QAYFNDIUMUFZKY-RJJVWVDVSA-N 2 2 389.609 3.967 20 0 GHADLP COC(=O)[C@H]1CC[C@H](C[NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001208633231 1034962326 /nfs/dbraw/zinc/96/23/26/1034962326.db2.gz YMVYMHQUMPEFQN-IYARVYRRSA-N 2 2 376.516 3.701 20 0 GHADLP COC(=O)[C@H]1CC[C@H](C[NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001208633231 1034962333 /nfs/dbraw/zinc/96/23/33/1034962333.db2.gz YMVYMHQUMPEFQN-IYARVYRRSA-N 2 2 376.516 3.701 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CC4(c5ccccc5)CCCC4)C[C@@H]3C2)cn1 ZINC001208773903 1035013386 /nfs/dbraw/zinc/01/33/86/1035013386.db2.gz FBWVEXYGPJYYDC-YADHBBJMSA-N 2 2 378.564 3.686 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CC4(c5ccccc5)CCCC4)C[C@@H]3C2)cn1 ZINC001208773903 1035013396 /nfs/dbraw/zinc/01/33/96/1035013396.db2.gz FBWVEXYGPJYYDC-YADHBBJMSA-N 2 2 378.564 3.686 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CC4(c5ccccc5)CCCC4)C[C@@H]3C2)cn1 ZINC001208773903 1035013404 /nfs/dbraw/zinc/01/34/04/1035013404.db2.gz FBWVEXYGPJYYDC-YADHBBJMSA-N 2 2 378.564 3.686 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CC4(c5ccccc5)CCCC4)C[C@@H]3C2)cn1 ZINC001208773903 1035013410 /nfs/dbraw/zinc/01/34/10/1035013410.db2.gz FBWVEXYGPJYYDC-YADHBBJMSA-N 2 2 378.564 3.686 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001232003229 1035035706 /nfs/dbraw/zinc/03/57/06/1035035706.db2.gz VTXSTFLVUNEMRK-KDURUIRLSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001232003229 1035035717 /nfs/dbraw/zinc/03/57/17/1035035717.db2.gz VTXSTFLVUNEMRK-KDURUIRLSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001232003229 1035035728 /nfs/dbraw/zinc/03/57/28/1035035728.db2.gz VTXSTFLVUNEMRK-KDURUIRLSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001232003229 1035035735 /nfs/dbraw/zinc/03/57/35/1035035735.db2.gz VTXSTFLVUNEMRK-KDURUIRLSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1cc(N2CC[NH+](CCCc3ccccc3C(F)(F)F)CC2)nc(C)[nH+]1 ZINC001208828182 1035044668 /nfs/dbraw/zinc/04/46/68/1035044668.db2.gz ZHDTVLOXFONSQW-UHFFFAOYSA-N 2 2 378.442 3.867 20 0 GHADLP FC(F)(F)c1ccccc1CCC[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001208828425 1035044974 /nfs/dbraw/zinc/04/49/74/1035044974.db2.gz KIJQFGXCWUHAFB-UHFFFAOYSA-N 2 2 392.469 3.946 20 0 GHADLP FC(F)(F)c1ccccc1CCC[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001208828425 1035044979 /nfs/dbraw/zinc/04/49/79/1035044979.db2.gz KIJQFGXCWUHAFB-UHFFFAOYSA-N 2 2 392.469 3.946 20 0 GHADLP C[C@H]1C[NH+](Cc2cc(F)cc(C[NH+](C)C)c2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001232151019 1035128733 /nfs/dbraw/zinc/12/87/33/1035128733.db2.gz JNZQOHNDVJHUGX-HOTGVXAUSA-N 2 2 379.520 3.717 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCc4c(Cl)cccc4Cl)C[C@@H]3C2)cn1 ZINC001209107251 1035175839 /nfs/dbraw/zinc/17/58/39/1035175839.db2.gz FZQVWDXNHYTBMO-SJORKVTESA-N 2 2 393.362 3.723 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCc4c(Cl)cccc4Cl)C[C@@H]3C2)cn1 ZINC001209107251 1035175844 /nfs/dbraw/zinc/17/58/44/1035175844.db2.gz FZQVWDXNHYTBMO-SJORKVTESA-N 2 2 393.362 3.723 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCc4c(Cl)cccc4Cl)C[C@@H]3C2)cn1 ZINC001209107251 1035175848 /nfs/dbraw/zinc/17/58/48/1035175848.db2.gz FZQVWDXNHYTBMO-SJORKVTESA-N 2 2 393.362 3.723 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCc4c(Cl)cccc4Cl)C[C@@H]3C2)cn1 ZINC001209107251 1035175853 /nfs/dbraw/zinc/17/58/53/1035175853.db2.gz FZQVWDXNHYTBMO-SJORKVTESA-N 2 2 393.362 3.723 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](CCc1cc(F)c(F)cc1F)CC2 ZINC001209249363 1035220275 /nfs/dbraw/zinc/22/02/75/1035220275.db2.gz RUQJPKGGFOHONU-UHFFFAOYSA-N 2 2 380.458 3.544 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](CCc1cc(F)c(F)cc1F)CC2 ZINC001209249363 1035220279 /nfs/dbraw/zinc/22/02/79/1035220279.db2.gz RUQJPKGGFOHONU-UHFFFAOYSA-N 2 2 380.458 3.544 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1C ZINC001209611752 1035329696 /nfs/dbraw/zinc/32/96/96/1035329696.db2.gz VMIIPEYRAVEBNK-DEOSSOPVSA-N 2 2 395.547 3.906 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1C ZINC001209611752 1035329699 /nfs/dbraw/zinc/32/96/99/1035329699.db2.gz VMIIPEYRAVEBNK-DEOSSOPVSA-N 2 2 395.547 3.906 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1C ZINC001209611752 1035329706 /nfs/dbraw/zinc/32/97/06/1035329706.db2.gz VMIIPEYRAVEBNK-DEOSSOPVSA-N 2 2 395.547 3.906 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C ZINC001209611752 1035329711 /nfs/dbraw/zinc/32/97/11/1035329711.db2.gz VMIIPEYRAVEBNK-DEOSSOPVSA-N 2 2 395.547 3.906 20 0 GHADLP Brc1sccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001461990070 1069931988 /nfs/dbraw/zinc/93/19/88/1069931988.db2.gz IBUBOXXGDKGXMU-UHFFFAOYSA-N 2 2 387.387 3.835 20 0 GHADLP COc1c(Br)cc(F)cc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001243237762 1036074174 /nfs/dbraw/zinc/07/41/74/1036074174.db2.gz POJYHHSLWNVLEW-HNNXBMFYSA-N 2 2 379.273 3.797 20 0 GHADLP COc1c(Br)cc(F)cc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001243237762 1036074191 /nfs/dbraw/zinc/07/41/91/1036074191.db2.gz POJYHHSLWNVLEW-HNNXBMFYSA-N 2 2 379.273 3.797 20 0 GHADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3cc(Cl)c(F)cc3F)C2)C1 ZINC001278371723 1036293184 /nfs/dbraw/zinc/29/31/84/1036293184.db2.gz AWYGLFJYVOPULM-HXUWFJFHSA-N 2 2 385.930 3.858 20 0 GHADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3cc(Cl)c(F)cc3F)C2)C1 ZINC001278371723 1036293200 /nfs/dbraw/zinc/29/32/00/1036293200.db2.gz AWYGLFJYVOPULM-HXUWFJFHSA-N 2 2 385.930 3.858 20 0 GHADLP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1C(F)(F)F ZINC001244598402 1036558670 /nfs/dbraw/zinc/55/86/70/1036558670.db2.gz KQAMAOPBIIQEBC-INIZCTEOSA-N 2 2 378.394 3.692 20 0 GHADLP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1C(F)(F)F ZINC001244598402 1036558693 /nfs/dbraw/zinc/55/86/93/1036558693.db2.gz KQAMAOPBIIQEBC-INIZCTEOSA-N 2 2 378.394 3.692 20 0 GHADLP O[C@@H](C[NH2+]C1(c2ccc(F)cc2)CC[NH2+]CC1)COc1cccc2ccccc21 ZINC001246001408 1037120748 /nfs/dbraw/zinc/12/07/48/1037120748.db2.gz ROLPZGHUZJAJSY-NRFANRHFSA-N 2 2 394.490 3.587 20 0 GHADLP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246189597 1037230454 /nfs/dbraw/zinc/23/04/54/1037230454.db2.gz OEGATVRUVRQQOK-UBCNIHEASA-N 3 2 375.560 3.831 20 0 GHADLP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246189597 1037230467 /nfs/dbraw/zinc/23/04/67/1037230467.db2.gz OEGATVRUVRQQOK-UBCNIHEASA-N 3 2 375.560 3.831 20 0 GHADLP Cc1c(CC[NH2+]C2C[C@@H]3COC[C@H](C2)[NH2+]3)c2ccccc2n1-c1ccccc1 ZINC001246244137 1037252286 /nfs/dbraw/zinc/25/22/86/1037252286.db2.gz NJIRIHYGNFHRDE-IHWFROFDSA-N 2 2 375.516 3.590 20 0 GHADLP Ic1ccccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246323603 1037294103 /nfs/dbraw/zinc/29/41/03/1037294103.db2.gz JKUKNAWZMTVQAO-FUHWJXTLSA-N 2 2 392.284 3.874 20 0 GHADLP O=C1C[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CN1Cc1ccccc1Cl ZINC001246497488 1037441362 /nfs/dbraw/zinc/44/13/62/1037441362.db2.gz MTYJOFPRWAODQU-IRFCIJBXSA-N 2 2 383.923 3.524 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)CCO2 ZINC001246500125 1037443383 /nfs/dbraw/zinc/44/33/83/1037443383.db2.gz OVPVYKGFBPQBQD-IOMROCGXSA-N 2 2 398.478 3.827 20 0 GHADLP FC(F)(F)c1cccnc1N1CC[NH+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246527267 1037460962 /nfs/dbraw/zinc/46/09/62/1037460962.db2.gz FCKCDDKWYINWHH-MRXNPFEDSA-N 2 2 382.474 3.677 20 0 GHADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246535118 1037465851 /nfs/dbraw/zinc/46/58/51/1037465851.db2.gz VXGBYMGJUWFIFC-CTUHWIOQSA-N 2 2 381.539 3.695 20 0 GHADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246535118 1037465877 /nfs/dbraw/zinc/46/58/77/1037465877.db2.gz VXGBYMGJUWFIFC-CTUHWIOQSA-N 2 2 381.539 3.695 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@H]([N@@H+]2CCO[C@]4(CCC[NH2+]C4)C2)CC3)cc1 ZINC001246625487 1037515977 /nfs/dbraw/zinc/51/59/77/1037515977.db2.gz WEKLQYZCGKOAMN-NOZRDPDXSA-N 2 2 392.543 3.577 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@H]([N@H+]2CCO[C@]4(CCC[NH2+]C4)C2)CC3)cc1 ZINC001246625487 1037515989 /nfs/dbraw/zinc/51/59/89/1037515989.db2.gz WEKLQYZCGKOAMN-NOZRDPDXSA-N 2 2 392.543 3.577 20 0 GHADLP Brc1ccc(C2CCC([N@@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)CC2)cc1 ZINC001246645021 1037523449 /nfs/dbraw/zinc/52/34/49/1037523449.db2.gz ADYLMBDUOIPUIG-LYBXBRPPSA-N 2 2 393.369 3.930 20 0 GHADLP Brc1ccc(C2CCC([N@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)CC2)cc1 ZINC001246645021 1037523456 /nfs/dbraw/zinc/52/34/56/1037523456.db2.gz ADYLMBDUOIPUIG-LYBXBRPPSA-N 2 2 393.369 3.930 20 0 GHADLP O=c1[nH]c2ccccc2n1C1CC[NH+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC001246678048 1037543079 /nfs/dbraw/zinc/54/30/79/1037543079.db2.gz MEEZPNJLGKRFLX-PZJWPPBQSA-N 2 2 376.504 3.872 20 0 GHADLP C(OC[C@@H]1COCCC12CC[NH+]([C@@H]1CC[NH2+]C3(CCCCC3)C1)CC2)C1CC1 ZINC001246738134 1037582865 /nfs/dbraw/zinc/58/28/65/1037582865.db2.gz MBBWVDFPFSVBCB-FCHUYYIVSA-N 2 2 390.612 3.987 20 0 GHADLP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)C[C@H](CC)[NH2+]1 ZINC001246751548 1037590840 /nfs/dbraw/zinc/59/08/40/1037590840.db2.gz HUXPAKOJTIQZNX-SHJAMOMRSA-N 2 2 375.582 3.876 20 0 GHADLP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)C[C@H](CC)[NH2+]1 ZINC001246751548 1037590848 /nfs/dbraw/zinc/59/08/48/1037590848.db2.gz HUXPAKOJTIQZNX-SHJAMOMRSA-N 2 2 375.582 3.876 20 0 GHADLP CC[C@@H]1C[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246755697 1037595402 /nfs/dbraw/zinc/59/54/02/1037595402.db2.gz IYGUHMOKCQVLRP-JKHIJQBDSA-N 3 2 385.596 3.663 20 0 GHADLP CC[C@@H]1C[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246755697 1037595417 /nfs/dbraw/zinc/59/54/17/1037595417.db2.gz IYGUHMOKCQVLRP-JKHIJQBDSA-N 3 2 385.596 3.663 20 0 GHADLP C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H](CC(=O)NC4CCC4)c4ccccc43)CC2)C[NH2+]1 ZINC001246757807 1037599261 /nfs/dbraw/zinc/59/92/61/1037599261.db2.gz RWZFYDNGGOEBBL-SFHLNBCPSA-N 2 2 395.591 3.707 20 0 GHADLP c1cc(-c2ccc3nc(C4CC[NH+]([C@H]5CCCC[NH2+]C5)CC4)nn3c2)cs1 ZINC001246771160 1037612416 /nfs/dbraw/zinc/61/24/16/1037612416.db2.gz TUNQWMMKTNBJGV-IBGZPJMESA-N 2 2 381.549 3.779 20 0 GHADLP Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246791181 1037630291 /nfs/dbraw/zinc/63/02/91/1037630291.db2.gz QCZQTRHFYFFXMY-JKHIJQBDSA-N 2 2 397.513 3.955 20 0 GHADLP Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN([C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246791181 1037630302 /nfs/dbraw/zinc/63/03/02/1037630302.db2.gz QCZQTRHFYFFXMY-JKHIJQBDSA-N 2 2 397.513 3.955 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2CCN([C@@H](C)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001247018165 1037839788 /nfs/dbraw/zinc/83/97/88/1037839788.db2.gz WFQZNYWUXOJHEJ-IPELMVKDSA-N 2 2 380.374 3.658 20 0 GHADLP CC(C)[C@@H]1C[C@H]([NH+]2CCN([C@@H](C)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001247019732 1037842759 /nfs/dbraw/zinc/84/27/59/1037842759.db2.gz ZRHGGZRMXBYBPA-DBVUQKKJSA-N 2 2 394.401 3.904 20 0 GHADLP [NH3+][C@H](Cc1ccccc1)c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001247505785 1038230624 /nfs/dbraw/zinc/23/06/24/1038230624.db2.gz XJSRRPRTZKKZMT-WOJBJXKFSA-N 2 2 389.434 3.850 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3cc(Cl)cc(Br)c3)no2)cc1 ZINC001247702945 1038341497 /nfs/dbraw/zinc/34/14/97/1038341497.db2.gz ZRRCMHSERFWMSJ-CQSZACIVSA-N 2 2 393.672 3.778 20 0 GHADLP C[NH+]1CC2(C1)CC[NH+](Cc1cccc(Br)c1Br)CC2 ZINC001232763969 1038540216 /nfs/dbraw/zinc/54/02/16/1038540216.db2.gz DLNITBXEIJNJPH-UHFFFAOYSA-N 2 2 388.147 3.739 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC001252758221 1039143670 /nfs/dbraw/zinc/14/36/70/1039143670.db2.gz LJFYEWANVLYFHA-FPOVZHCZSA-N 2 2 384.520 3.581 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC001252758221 1039143676 /nfs/dbraw/zinc/14/36/76/1039143676.db2.gz LJFYEWANVLYFHA-FPOVZHCZSA-N 2 2 384.520 3.581 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3cc4cccnc4s3)CC2)CC1 ZINC001233345923 1039155761 /nfs/dbraw/zinc/15/57/61/1039155761.db2.gz KXSNMSPDCVKZNR-UHFFFAOYSA-N 2 2 387.549 3.536 20 0 GHADLP Brc1sccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001233480416 1039374831 /nfs/dbraw/zinc/37/48/31/1039374831.db2.gz NUHCWSXZJVBBAA-WBVHZDCISA-N 2 2 392.366 3.860 20 0 GHADLP Brc1sccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001233480416 1039374847 /nfs/dbraw/zinc/37/48/47/1039374847.db2.gz NUHCWSXZJVBBAA-WBVHZDCISA-N 2 2 392.366 3.860 20 0 GHADLP Brc1sccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001233480416 1039374862 /nfs/dbraw/zinc/37/48/62/1039374862.db2.gz NUHCWSXZJVBBAA-WBVHZDCISA-N 2 2 392.366 3.860 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@@H+]2CCSC[C@H]2C2CCC2)c2c1OC(F)(F)O2 ZINC001462388941 1070220563 /nfs/dbraw/zinc/22/05/63/1070220563.db2.gz TWARJDCBMREQMT-INIZCTEOSA-N 2 2 384.492 3.787 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@H+]2CCSC[C@H]2C2CCC2)c2c1OC(F)(F)O2 ZINC001462388941 1070220573 /nfs/dbraw/zinc/22/05/73/1070220573.db2.gz TWARJDCBMREQMT-INIZCTEOSA-N 2 2 384.492 3.787 20 0 GHADLP COc1cc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)ccc1-n1cc[nH+]c1 ZINC001234031862 1039773917 /nfs/dbraw/zinc/77/39/17/1039773917.db2.gz BJTNEBSUVVFTHQ-UHFFFAOYSA-N 2 2 377.488 3.673 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@H](c3nc(C(C)C)no3)C2)ccc1-n1cc[nH+]c1 ZINC001234075769 1039814226 /nfs/dbraw/zinc/81/42/26/1039814226.db2.gz NTSIFLAECULOII-KRWDZBQOSA-N 2 2 381.480 3.767 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@H](c3nc(C(C)C)no3)C2)ccc1-n1cc[nH+]c1 ZINC001234075769 1039814251 /nfs/dbraw/zinc/81/42/51/1039814251.db2.gz NTSIFLAECULOII-KRWDZBQOSA-N 2 2 381.480 3.767 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@@H](C[NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CCC2 ZINC001462418933 1070240151 /nfs/dbraw/zinc/24/01/51/1070240151.db2.gz WUMXUEIWPRCVJR-QGZVFWFLSA-N 2 2 381.501 3.930 20 0 GHADLP Cc1cc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)ccc1OCc1ccccc1 ZINC001235009507 1040498222 /nfs/dbraw/zinc/49/82/22/1040498222.db2.gz WDHHTHSDFDTIRQ-XMMPIXPASA-N 2 2 380.532 3.776 20 0 GHADLP Cc1cc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)ccc1OCc1ccccc1 ZINC001235009507 1040498227 /nfs/dbraw/zinc/49/82/27/1040498227.db2.gz WDHHTHSDFDTIRQ-XMMPIXPASA-N 2 2 380.532 3.776 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[C@H]([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)C2)CC1 ZINC001254740504 1040499350 /nfs/dbraw/zinc/49/93/50/1040499350.db2.gz NTMAOHIOBOKRQL-ROUUACIJSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[C@H]([NH2+][C@H]3CC[N@H+](C4CCC4)C3)C2)CC1 ZINC001254740504 1040499353 /nfs/dbraw/zinc/49/93/53/1040499353.db2.gz NTMAOHIOBOKRQL-ROUUACIJSA-N 2 2 377.573 3.773 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1cccc(N3CCCC3)c1)CC2 ZINC001235019577 1040508680 /nfs/dbraw/zinc/50/86/80/1040508680.db2.gz OBLGRYXELXKVJD-UHFFFAOYSA-N 2 2 391.559 3.932 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1cccc(N3CCCC3)c1)CC2 ZINC001235019577 1040508700 /nfs/dbraw/zinc/50/87/00/1040508700.db2.gz OBLGRYXELXKVJD-UHFFFAOYSA-N 2 2 391.559 3.932 20 0 GHADLP Brc1cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)ccc1-n1cc[nH+]c1 ZINC001235025674 1040519323 /nfs/dbraw/zinc/51/93/23/1040519323.db2.gz DEFQPEWZHKFGDX-SFHVURJKSA-N 2 2 376.298 3.637 20 0 GHADLP Brc1cc(C[N@H+]2CCC[C@]3(CCOC3)C2)ccc1-n1cc[nH+]c1 ZINC001235025674 1040519344 /nfs/dbraw/zinc/51/93/44/1040519344.db2.gz DEFQPEWZHKFGDX-SFHVURJKSA-N 2 2 376.298 3.637 20 0 GHADLP CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Br)c3)C[C@@H]21 ZINC001235029710 1040520876 /nfs/dbraw/zinc/52/08/76/1040520876.db2.gz IJPSOQNTAOSSOU-JTDSTZFVSA-N 2 2 390.325 3.882 20 0 GHADLP CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Br)c3)C[C@@H]21 ZINC001235029710 1040520894 /nfs/dbraw/zinc/52/08/94/1040520894.db2.gz IJPSOQNTAOSSOU-JTDSTZFVSA-N 2 2 390.325 3.882 20 0 GHADLP Clc1cc(Cl)cc(Oc2cccc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)c2)c1 ZINC001235060204 1040550368 /nfs/dbraw/zinc/55/03/68/1040550368.db2.gz FSZWYKWKVJWUBP-HXUWFJFHSA-N 2 2 392.330 3.923 20 0 GHADLP Clc1cc(Cl)cc(Oc2cccc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)c2)c1 ZINC001235060204 1040550379 /nfs/dbraw/zinc/55/03/79/1040550379.db2.gz FSZWYKWKVJWUBP-HXUWFJFHSA-N 2 2 392.330 3.923 20 0 GHADLP O=C1CCC2(CCC([NH2+][C@H]3CC4CC[NH+](CC4)C3)CC2)N1Cc1cccc(F)c1 ZINC001254833979 1040582246 /nfs/dbraw/zinc/58/22/46/1040582246.db2.gz TUSGSYNYBVOALR-MHIUNMELSA-N 2 2 399.554 3.703 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@]12CCC[N@@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254856541 1040600758 /nfs/dbraw/zinc/60/07/58/1040600758.db2.gz UZHZYFVYWWHOLH-UGKGYDQZSA-N 2 2 377.573 3.726 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@]12CCC[N@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254856541 1040600790 /nfs/dbraw/zinc/60/07/90/1040600790.db2.gz UZHZYFVYWWHOLH-UGKGYDQZSA-N 2 2 377.573 3.726 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2cnc3cc(Br)ccn23)C2CCCC2)CC1 ZINC001235298431 1040771014 /nfs/dbraw/zinc/77/10/14/1040771014.db2.gz PZLGVPGHLBLKAB-UHFFFAOYSA-N 2 2 391.357 3.936 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2cnc3cc(Br)ccn23)C2CCCC2)CC1 ZINC001235298431 1040771028 /nfs/dbraw/zinc/77/10/28/1040771028.db2.gz PZLGVPGHLBLKAB-UHFFFAOYSA-N 2 2 391.357 3.936 20 0 GHADLP c1c(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)onc1OCc1ccccc1 ZINC001235376653 1040886422 /nfs/dbraw/zinc/88/64/22/1040886422.db2.gz GIOZQIXYPPUABY-VWNXMTODSA-N 2 2 389.499 3.833 20 0 GHADLP c1c(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)onc1OCc1ccccc1 ZINC001235376653 1040886432 /nfs/dbraw/zinc/88/64/32/1040886432.db2.gz GIOZQIXYPPUABY-VWNXMTODSA-N 2 2 389.499 3.833 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235379319 1040899563 /nfs/dbraw/zinc/89/95/63/1040899563.db2.gz NYPRBYPURZBCSY-GPXOXTDOSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235379319 1040899573 /nfs/dbraw/zinc/89/95/73/1040899573.db2.gz NYPRBYPURZBCSY-GPXOXTDOSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235379319 1040899601 /nfs/dbraw/zinc/89/96/01/1040899601.db2.gz NYPRBYPURZBCSY-GPXOXTDOSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235379319 1040899608 /nfs/dbraw/zinc/89/96/08/1040899608.db2.gz NYPRBYPURZBCSY-GPXOXTDOSA-N 3 2 375.560 3.588 20 0 GHADLP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+](C[C@@H]2Cc4ccccc4C[NH2+]2)C3)c1 ZINC001235547297 1040982579 /nfs/dbraw/zinc/98/25/79/1040982579.db2.gz NGQFGOXUTZWCQE-DSITVLBTSA-N 2 2 391.559 3.723 20 0 GHADLP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+](C[C@@H]2Cc4ccccc4C[NH2+]2)C3)c1 ZINC001235547297 1040982593 /nfs/dbraw/zinc/98/25/93/1040982593.db2.gz NGQFGOXUTZWCQE-DSITVLBTSA-N 2 2 391.559 3.723 20 0 GHADLP c1cncc(OC[C@@H]2CCC[C@@]23C[N@H+](CCC[NH2+]C2CCCCC2)CCO3)c1 ZINC001235624743 1041050784 /nfs/dbraw/zinc/05/07/84/1041050784.db2.gz MPOGQJOUJIIBGZ-NZQKXSOJSA-N 2 2 387.568 3.644 20 0 GHADLP c1cncc(OC[C@@H]2CCC[C@@]23C[N@@H+](CCC[NH2+]C2CCCCC2)CCO3)c1 ZINC001235624743 1041050818 /nfs/dbraw/zinc/05/08/18/1041050818.db2.gz MPOGQJOUJIIBGZ-NZQKXSOJSA-N 2 2 387.568 3.644 20 0 GHADLP Cc1ccc(SC[C@H](C)[NH+]2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)cc1 ZINC001255755612 1041273935 /nfs/dbraw/zinc/27/39/35/1041273935.db2.gz BUPCBMRCGBTSHE-IBGZPJMESA-N 2 2 397.588 3.585 20 0 GHADLP Cc1cc(CN2CC[NH+](C3(C)CC[NH2+]CC3)CC2)ccc1OCc1ccccc1 ZINC001235815543 1041329805 /nfs/dbraw/zinc/32/98/05/1041329805.db2.gz LYVXKVVGVUZTAA-UHFFFAOYSA-N 2 2 393.575 3.834 20 0 GHADLP CCc1cccc2cc(CN3CC[NH+](C4(C)CC[NH2+]CC4)CC3)c(Cl)nc21 ZINC001235816777 1041332182 /nfs/dbraw/zinc/33/21/82/1041332182.db2.gz ZKDZFMYGTSBVJU-UHFFFAOYSA-N 2 2 386.971 3.710 20 0 GHADLP Cc1ccc(CN2CC[NH+](C3(C)CC[NH2+]CC3)CC2)c(OCc2ccccc2)c1 ZINC001235822689 1041340275 /nfs/dbraw/zinc/34/02/75/1041340275.db2.gz QRXZZHCHDKDRMU-UHFFFAOYSA-N 2 2 393.575 3.834 20 0 GHADLP CC1([NH+]2CCN(Cc3c(Cl)ccc(Cl)c3Cl)CC2)CC[NH2+]CC1 ZINC001235823399 1041341328 /nfs/dbraw/zinc/34/13/28/1041341328.db2.gz YXRBXHVSKDAEMI-UHFFFAOYSA-N 2 2 376.759 3.907 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001235867746 1041401006 /nfs/dbraw/zinc/40/10/06/1041401006.db2.gz RZZMRPUZADHQGU-GXTWGEPZSA-N 2 2 378.294 3.606 20 0 GHADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)CO1 ZINC001235885342 1041411463 /nfs/dbraw/zinc/41/14/63/1041411463.db2.gz VZMAGXQVDCMQEN-HNNXBMFYSA-N 2 2 394.972 3.576 20 0 GHADLP CC1(C)[NH2+][C@@H](CC[N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)CO1 ZINC001235885342 1041411470 /nfs/dbraw/zinc/41/14/70/1041411470.db2.gz VZMAGXQVDCMQEN-HNNXBMFYSA-N 2 2 394.972 3.576 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](CC(=O)OC)c1ccc(Br)cc1 ZINC001255955332 1041434954 /nfs/dbraw/zinc/43/49/54/1041434954.db2.gz QWXSGRPPVSLGEV-YOEHRIQHSA-N 2 2 385.346 3.763 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 ZINC001255961387 1041440009 /nfs/dbraw/zinc/44/00/09/1041440009.db2.gz CZWZOPQUWRMSIE-FUPPJEDESA-N 2 2 389.584 3.590 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 ZINC001255961387 1041440011 /nfs/dbraw/zinc/44/00/11/1041440011.db2.gz CZWZOPQUWRMSIE-FUPPJEDESA-N 2 2 389.584 3.590 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(C[C@H](OCc3csc(C)n3)CO2)CC1 ZINC001255961250 1041440487 /nfs/dbraw/zinc/44/04/87/1041440487.db2.gz LPOKOPIXDYAKRD-XLIONFOSSA-N 2 2 395.613 3.712 20 0 GHADLP COCCC[N@H+](Cc1ccc(Br)cc1Cl)C1CC[NH2+]CC1 ZINC001235937482 1041443783 /nfs/dbraw/zinc/44/37/83/1041443783.db2.gz NGXUXSMLOGUWGU-UHFFFAOYSA-N 2 2 375.738 3.693 20 0 GHADLP COCCC[N@@H+](Cc1ccc(Br)cc1Cl)C1CC[NH2+]CC1 ZINC001235937482 1041443791 /nfs/dbraw/zinc/44/37/91/1041443791.db2.gz NGXUXSMLOGUWGU-UHFFFAOYSA-N 2 2 375.738 3.693 20 0 GHADLP COCCC[N@H+](Cc1ccc(OC(F)(F)F)cc1Cl)C1CC[NH2+]CC1 ZINC001235940382 1041446593 /nfs/dbraw/zinc/44/65/93/1041446593.db2.gz PIXRAEIIOJGMIP-UHFFFAOYSA-N 2 2 380.838 3.829 20 0 GHADLP COCCC[N@@H+](Cc1ccc(OC(F)(F)F)cc1Cl)C1CC[NH2+]CC1 ZINC001235940382 1041446601 /nfs/dbraw/zinc/44/66/01/1041446601.db2.gz PIXRAEIIOJGMIP-UHFFFAOYSA-N 2 2 380.838 3.829 20 0 GHADLP C[N@@H+](Cc1cc(Br)cc(Br)c1F)C[C@H]1CCC[NH2+]C1 ZINC001235957231 1041464936 /nfs/dbraw/zinc/46/49/36/1041464936.db2.gz LHGXYEPSPVHMSG-JTQLQIEISA-N 2 2 394.126 3.782 20 0 GHADLP C[N@H+](Cc1cc(Br)cc(Br)c1F)C[C@H]1CCC[NH2+]C1 ZINC001235957231 1041464953 /nfs/dbraw/zinc/46/49/53/1041464953.db2.gz LHGXYEPSPVHMSG-JTQLQIEISA-N 2 2 394.126 3.782 20 0 GHADLP Clc1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)cc1I ZINC001236010695 1041502977 /nfs/dbraw/zinc/50/29/77/1041502977.db2.gz WURXEJUPRVGBHS-UHFFFAOYSA-N 2 2 390.696 3.520 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@@H+]2C2CC[NH+](C3CC3)CC2)CC1 ZINC001256075850 1041509629 /nfs/dbraw/zinc/50/96/29/1041509629.db2.gz SPYWWLDUCLLJLM-JOCHJYFZSA-N 2 2 377.573 3.869 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@H+]2C2CC[NH+](C3CC3)CC2)CC1 ZINC001256075850 1041509644 /nfs/dbraw/zinc/50/96/44/1041509644.db2.gz SPYWWLDUCLLJLM-JOCHJYFZSA-N 2 2 377.573 3.869 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(F)(F)[C@@]2(CC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256075461 1041509785 /nfs/dbraw/zinc/50/97/85/1041509785.db2.gz LNQVVINIDMACAU-HXUWFJFHSA-N 2 2 399.526 3.581 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(F)(F)[C@@]2(CC[N@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256075461 1041509795 /nfs/dbraw/zinc/50/97/95/1041509795.db2.gz LNQVVINIDMACAU-HXUWFJFHSA-N 2 2 399.526 3.581 20 0 GHADLP CCC[N@H+](Cc1ccc(I)c(F)c1F)C1CC[NH2+]CC1 ZINC001236181725 1041601285 /nfs/dbraw/zinc/60/12/85/1041601285.db2.gz CFNBFHKHZUNGFW-UHFFFAOYSA-N 2 2 394.247 3.533 20 0 GHADLP CCC[N@@H+](Cc1ccc(I)c(F)c1F)C1CC[NH2+]CC1 ZINC001236181725 1041601308 /nfs/dbraw/zinc/60/13/08/1041601308.db2.gz CFNBFHKHZUNGFW-UHFFFAOYSA-N 2 2 394.247 3.533 20 0 GHADLP COc1cccc(C[C@H](C)[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC001256162664 1041599928 /nfs/dbraw/zinc/59/99/28/1041599928.db2.gz XKXUPWQCXDBGKC-IBGZPJMESA-N 2 2 384.520 3.586 20 0 GHADLP COc1cccc(C[C@H](C)[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC001256162664 1041599941 /nfs/dbraw/zinc/59/99/41/1041599941.db2.gz XKXUPWQCXDBGKC-IBGZPJMESA-N 2 2 384.520 3.586 20 0 GHADLP C[N@H+](Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219505 1041627658 /nfs/dbraw/zinc/62/76/58/1041627658.db2.gz WZDLUSSAYGXHBR-IFMALSPDSA-N 2 2 397.544 3.580 20 0 GHADLP C[N@@H+](Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219505 1041627668 /nfs/dbraw/zinc/62/76/68/1041627668.db2.gz WZDLUSSAYGXHBR-IFMALSPDSA-N 2 2 397.544 3.580 20 0 GHADLP C[N@H+](Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220087 1041628735 /nfs/dbraw/zinc/62/87/35/1041628735.db2.gz YIELPWOUXSXBFD-UKILVPOCSA-N 3 2 392.591 3.711 20 0 GHADLP C[N@@H+](Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220087 1041628740 /nfs/dbraw/zinc/62/87/40/1041628740.db2.gz YIELPWOUXSXBFD-UKILVPOCSA-N 3 2 392.591 3.711 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c2n1 ZINC001236240376 1041639825 /nfs/dbraw/zinc/63/98/25/1041639825.db2.gz LBNYMKFWHQCDGR-OAHLLOKOSA-N 2 2 390.325 3.722 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c2n1 ZINC001236240376 1041639830 /nfs/dbraw/zinc/63/98/30/1041639830.db2.gz LBNYMKFWHQCDGR-OAHLLOKOSA-N 2 2 390.325 3.722 20 0 GHADLP COC(=O)C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC001256196433 1041642038 /nfs/dbraw/zinc/64/20/38/1041642038.db2.gz JZGRPDWJJSLGKO-JOCHJYFZSA-N 2 2 382.504 3.554 20 0 GHADLP COc1cc(NC(=O)[C@H](CC(C)C)[NH2+]C2CC[NH+](C)CC2)cc2ccccc21 ZINC001256197793 1041643711 /nfs/dbraw/zinc/64/37/11/1041643711.db2.gz SGRIMUPPHWQSBB-NRFANRHFSA-N 2 2 383.536 3.885 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236300679 1041665161 /nfs/dbraw/zinc/66/51/61/1041665161.db2.gz VQRCTVFEIMKOCR-UHFFFAOYSA-N 3 2 384.593 3.673 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236300679 1041665168 /nfs/dbraw/zinc/66/51/68/1041665168.db2.gz VQRCTVFEIMKOCR-UHFFFAOYSA-N 3 2 384.593 3.673 20 0 GHADLP COc1cc(CN(Cc2ccccc2F)[C@@H]2CCC[NH2+]C2)ccc1-n1cc[nH+]c1 ZINC001236353855 1041679579 /nfs/dbraw/zinc/67/95/79/1041679579.db2.gz HKUOIVVAPWMTGF-HXUWFJFHSA-N 2 2 394.494 3.774 20 0 GHADLP C[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256289902 1041686764 /nfs/dbraw/zinc/68/67/64/1041686764.db2.gz NSWBGFUPGJJEAT-UHFFFAOYSA-N 2 2 387.568 3.982 20 0 GHADLP C[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256289902 1041686769 /nfs/dbraw/zinc/68/67/69/1041686769.db2.gz NSWBGFUPGJJEAT-UHFFFAOYSA-N 2 2 387.568 3.982 20 0 GHADLP Brc1ccc(C[N@H+](Cc2cnn3ccccc23)C2CC[NH2+]CC2)cc1 ZINC001236377719 1041688534 /nfs/dbraw/zinc/68/85/34/1041688534.db2.gz FXSMPGNXJVDTHS-UHFFFAOYSA-N 2 2 399.336 3.851 20 0 GHADLP Brc1ccc(C[N@@H+](Cc2cnn3ccccc23)C2CC[NH2+]CC2)cc1 ZINC001236377719 1041688540 /nfs/dbraw/zinc/68/85/40/1041688540.db2.gz FXSMPGNXJVDTHS-UHFFFAOYSA-N 2 2 399.336 3.851 20 0 GHADLP COc1ccc(C[N@H+](Cc2ccc3nsnc3c2)C2CC[NH2+]CC2)cc1F ZINC001236516775 1041749914 /nfs/dbraw/zinc/74/99/14/1041749914.db2.gz RFYZSNYWRILFCU-UHFFFAOYSA-N 2 2 386.496 3.593 20 0 GHADLP COc1ccc(C[N@@H+](Cc2ccc3nsnc3c2)C2CC[NH2+]CC2)cc1F ZINC001236516775 1041749922 /nfs/dbraw/zinc/74/99/22/1041749922.db2.gz RFYZSNYWRILFCU-UHFFFAOYSA-N 2 2 386.496 3.593 20 0 GHADLP COc1cccc(Br)c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001236682640 1041827998 /nfs/dbraw/zinc/82/79/98/1041827998.db2.gz VISLOXKTJDONJH-CQSZACIVSA-N 2 2 377.282 3.814 20 0 GHADLP COc1cccc(Br)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001236682640 1041828001 /nfs/dbraw/zinc/82/80/01/1041828001.db2.gz VISLOXKTJDONJH-CQSZACIVSA-N 2 2 377.282 3.814 20 0 GHADLP O=C(NC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1)C1CCCC1 ZINC001236913096 1041952452 /nfs/dbraw/zinc/95/24/52/1041952452.db2.gz CVXKOHFQPGMLKP-UHFFFAOYSA-N 2 2 386.927 3.797 20 0 GHADLP CC(C)Oc1ncnc2c1CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)CC2 ZINC001236915630 1041955358 /nfs/dbraw/zinc/95/53/58/1041955358.db2.gz GQXQGHAAXHRLJQ-UHFFFAOYSA-N 2 2 397.910 3.704 20 0 GHADLP CC(C)Oc1ncnc2c1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)CC2 ZINC001236915630 1041955361 /nfs/dbraw/zinc/95/53/61/1041955361.db2.gz GQXQGHAAXHRLJQ-UHFFFAOYSA-N 2 2 397.910 3.704 20 0 GHADLP O=C1CCC2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)CC2)N1CC1CC1 ZINC001236919161 1041958852 /nfs/dbraw/zinc/95/88/52/1041958852.db2.gz VAGZCMBLRMPRHU-UHFFFAOYSA-N 2 2 398.938 3.893 20 0 GHADLP O=C([C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1)N1CCCCC1 ZINC001236921678 1041960233 /nfs/dbraw/zinc/96/02/33/1041960233.db2.gz LRLABYGBEFGTRM-GOSISDBHSA-N 2 2 386.927 3.750 20 0 GHADLP O=C([C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1)N1CCCCC1 ZINC001236921678 1041960234 /nfs/dbraw/zinc/96/02/34/1041960234.db2.gz LRLABYGBEFGTRM-GOSISDBHSA-N 2 2 386.927 3.750 20 0 GHADLP FC(F)Oc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1OC(F)F ZINC001237153795 1042066453 /nfs/dbraw/zinc/06/64/53/1042066453.db2.gz HVROOPDPLFBONA-CQSZACIVSA-N 2 2 376.394 3.996 20 0 GHADLP FC(F)Oc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1OC(F)F ZINC001237153795 1042066457 /nfs/dbraw/zinc/06/64/57/1042066457.db2.gz HVROOPDPLFBONA-CQSZACIVSA-N 2 2 376.394 3.996 20 0 GHADLP Cc1ccc(Cl)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1Cl ZINC001237333309 1042152572 /nfs/dbraw/zinc/15/25/72/1042152572.db2.gz OBTLHQUSGXYKLS-SJORKVTESA-N 2 2 393.362 3.989 20 0 GHADLP Cc1ccc(Cl)c(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1Cl ZINC001237333309 1042152574 /nfs/dbraw/zinc/15/25/74/1042152574.db2.gz OBTLHQUSGXYKLS-SJORKVTESA-N 2 2 393.362 3.989 20 0 GHADLP Cc1ccc(Cl)c(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c1Cl ZINC001237333309 1042152575 /nfs/dbraw/zinc/15/25/75/1042152575.db2.gz OBTLHQUSGXYKLS-SJORKVTESA-N 2 2 393.362 3.989 20 0 GHADLP Cc1ccc(Cl)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c1Cl ZINC001237333309 1042152577 /nfs/dbraw/zinc/15/25/77/1042152577.db2.gz OBTLHQUSGXYKLS-SJORKVTESA-N 2 2 393.362 3.989 20 0 GHADLP Fc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1OC(F)F ZINC001237356872 1042167263 /nfs/dbraw/zinc/16/72/63/1042167263.db2.gz MWMSOZLUWNTMHP-ROUUACIJSA-N 2 2 376.422 3.991 20 0 GHADLP Fc1cccc2c(C[N@H+]3CCc4nnc(C[NH+]5CCCCC5)n4CC3)cccc12 ZINC001237515805 1042246076 /nfs/dbraw/zinc/24/60/76/1042246076.db2.gz QNSJWCMKRGSXEI-UHFFFAOYSA-N 2 2 393.510 3.615 20 0 GHADLP Fc1cccc2c(C[N@@H+]3CCc4nnc(C[NH+]5CCCCC5)n4CC3)cccc12 ZINC001237515805 1042246081 /nfs/dbraw/zinc/24/60/81/1042246081.db2.gz QNSJWCMKRGSXEI-UHFFFAOYSA-N 2 2 393.510 3.615 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc4c(F)cccc34)CC2)C1 ZINC001237517387 1042246361 /nfs/dbraw/zinc/24/63/61/1042246361.db2.gz HGUHSDBPHOEMNM-GOSISDBHSA-N 2 2 384.495 3.828 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc4c(F)cccc34)CC2)C1 ZINC001237517387 1042246364 /nfs/dbraw/zinc/24/63/64/1042246364.db2.gz HGUHSDBPHOEMNM-GOSISDBHSA-N 2 2 384.495 3.828 20 0 GHADLP COCC[N@H+](Cc1cccc(-c2ccc(C(=O)OC)cc2)c1)C1CC[NH+](C)CC1 ZINC001237818709 1042385230 /nfs/dbraw/zinc/38/52/30/1042385230.db2.gz YLQCYLUDZYWYFL-UHFFFAOYSA-N 2 2 396.531 3.683 20 0 GHADLP COCC[N@@H+](Cc1cccc(-c2ccc(C(=O)OC)cc2)c1)C1CC[NH+](C)CC1 ZINC001237818709 1042385234 /nfs/dbraw/zinc/38/52/34/1042385234.db2.gz YLQCYLUDZYWYFL-UHFFFAOYSA-N 2 2 396.531 3.683 20 0 GHADLP COCCN1CC[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)Cc2cccnc21 ZINC001237876775 1042405702 /nfs/dbraw/zinc/40/57/02/1042405702.db2.gz IWHBGSNIWFTXCY-UHFFFAOYSA-N 2 2 392.547 3.551 20 0 GHADLP COCCN1CC[N@@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)Cc2cccnc21 ZINC001237876775 1042405705 /nfs/dbraw/zinc/40/57/05/1042405705.db2.gz IWHBGSNIWFTXCY-UHFFFAOYSA-N 2 2 392.547 3.551 20 0 GHADLP Fc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1C1CC1 ZINC001238501503 1042621480 /nfs/dbraw/zinc/62/14/80/1042621480.db2.gz MVNSUFHKVVORSI-UHFFFAOYSA-N 2 2 382.527 3.944 20 0 GHADLP COc1cc(C)c(C)cc1C[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001238755307 1042715190 /nfs/dbraw/zinc/71/51/90/1042715190.db2.gz BVRVNJLNMXNOQR-UHFFFAOYSA-N 2 2 381.520 3.578 20 0 GHADLP Cc1cc(F)cc(Cl)c1C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001238783263 1042726189 /nfs/dbraw/zinc/72/61/89/1042726189.db2.gz ORSVIBIRYVKQQM-UHFFFAOYSA-N 2 2 376.907 3.638 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC001291790018 1043467430 /nfs/dbraw/zinc/46/74/30/1043467430.db2.gz WNRWFGGXRVRYDL-YZGWKJHDSA-N 2 2 384.499 3.611 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(OC)c1 ZINC001256535158 1043478000 /nfs/dbraw/zinc/47/80/00/1043478000.db2.gz DGCZQTJJFICLSZ-JZWVFAODSA-N 2 2 396.531 3.942 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(OC)c1 ZINC001256535158 1043478023 /nfs/dbraw/zinc/47/80/23/1043478023.db2.gz DGCZQTJJFICLSZ-JZWVFAODSA-N 2 2 396.531 3.942 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256543208 1043500733 /nfs/dbraw/zinc/50/07/33/1043500733.db2.gz RZXSAYATGGWPKL-PZJWPPBQSA-N 2 2 399.579 3.982 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001256543208 1043500752 /nfs/dbraw/zinc/50/07/52/1043500752.db2.gz RZXSAYATGGWPKL-PZJWPPBQSA-N 2 2 399.579 3.982 20 0 GHADLP CCOc1cccc(N2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256554447 1043523127 /nfs/dbraw/zinc/52/31/27/1043523127.db2.gz QBWCSNHPHITHJW-IFMALSPDSA-N 2 2 394.563 3.655 20 0 GHADLP CCOc1cccc(N2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256554447 1043523136 /nfs/dbraw/zinc/52/31/36/1043523136.db2.gz QBWCSNHPHITHJW-IFMALSPDSA-N 2 2 394.563 3.655 20 0 GHADLP CCOc1cccc(N2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256554450 1043523268 /nfs/dbraw/zinc/52/32/68/1043523268.db2.gz QBWCSNHPHITHJW-UNMCSNQZSA-N 2 2 394.563 3.655 20 0 GHADLP CCOc1cccc(N2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256554450 1043523280 /nfs/dbraw/zinc/52/32/80/1043523280.db2.gz QBWCSNHPHITHJW-UNMCSNQZSA-N 2 2 394.563 3.655 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555691 1043525793 /nfs/dbraw/zinc/52/57/93/1043525793.db2.gz VPEXPSAKWFJJPN-HMXCVIKNSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256555691 1043525800 /nfs/dbraw/zinc/52/58/00/1043525800.db2.gz VPEXPSAKWFJJPN-HMXCVIKNSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256555691 1043525812 /nfs/dbraw/zinc/52/58/12/1043525812.db2.gz VPEXPSAKWFJJPN-HMXCVIKNSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256555691 1043525821 /nfs/dbraw/zinc/52/58/21/1043525821.db2.gz VPEXPSAKWFJJPN-HMXCVIKNSA-N 2 2 387.568 3.981 20 0 GHADLP COC(=O)C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(Br)cc1 ZINC001256567085 1043540704 /nfs/dbraw/zinc/54/07/04/1043540704.db2.gz RSDBRRDMWRJTIR-KRWDZBQOSA-N 2 2 397.357 3.906 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2C1CC[NH+](Cc2ccccc2)CC1 ZINC001256605766 1043569638 /nfs/dbraw/zinc/56/96/38/1043569638.db2.gz LLOXFNTWHDBKLU-LEWJYISDSA-N 2 2 385.552 3.735 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2C1CC[NH+](Cc2ccccc2)CC1 ZINC001256605766 1043569646 /nfs/dbraw/zinc/56/96/46/1043569646.db2.gz LLOXFNTWHDBKLU-LEWJYISDSA-N 2 2 385.552 3.735 20 0 GHADLP O=C1c2cccc(F)c2CN1[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256612925 1043577453 /nfs/dbraw/zinc/57/74/53/1043577453.db2.gz RZCYIMJMSWOQGS-HXUWFJFHSA-N 2 2 393.506 3.520 20 0 GHADLP O=C1c2cccc(F)c2CN1[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256612925 1043577462 /nfs/dbraw/zinc/57/74/62/1043577462.db2.gz RZCYIMJMSWOQGS-HXUWFJFHSA-N 2 2 393.506 3.520 20 0 GHADLP Fc1cccc(F)c1CN1CCC([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256910182 1043737749 /nfs/dbraw/zinc/73/77/49/1043737749.db2.gz YELKDPLTQSDQQK-SFHVURJKSA-N 2 2 377.523 3.926 20 0 GHADLP Fc1cccc(F)c1CN1CCC([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256910182 1043737760 /nfs/dbraw/zinc/73/77/60/1043737760.db2.gz YELKDPLTQSDQQK-SFHVURJKSA-N 2 2 377.523 3.926 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001257037991 1043813635 /nfs/dbraw/zinc/81/36/35/1043813635.db2.gz FOJDGARYDZHOQN-PBHICJAKSA-N 2 2 384.442 3.687 20 0 GHADLP CCC[NH+]1CCN(C(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001292800015 1043882047 /nfs/dbraw/zinc/88/20/47/1043882047.db2.gz RLQGLWSDVYJQCH-HSZRJFAPSA-N 2 2 397.538 3.581 20 0 GHADLP CC(C)[C@@H]1C[C@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CCN1C(=O)OC(C)(C)C ZINC001257194231 1043929448 /nfs/dbraw/zinc/92/94/48/1043929448.db2.gz UWKDFAMDMFKVLS-UXHICEINSA-N 2 2 391.600 3.828 20 0 GHADLP CC(C)[C@@H]1C[C@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CCN1C(=O)OC(C)(C)C ZINC001257194231 1043929449 /nfs/dbraw/zinc/92/94/49/1043929449.db2.gz UWKDFAMDMFKVLS-UXHICEINSA-N 2 2 391.600 3.828 20 0 GHADLP CC(C)[C@@H]1C[C@@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CCN1C(=O)OC(C)(C)C ZINC001257206467 1043936450 /nfs/dbraw/zinc/93/64/50/1043936450.db2.gz UEUBMZDPFMSUSE-BZSNNMDCSA-N 2 2 376.545 3.947 20 0 GHADLP CCCCOC(=O)CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001257390073 1043980126 /nfs/dbraw/zinc/98/01/26/1043980126.db2.gz XICGDDHEJMHOOD-GOSISDBHSA-N 2 2 376.541 3.761 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)C2 ZINC001257805683 1044188109 /nfs/dbraw/zinc/18/81/09/1044188109.db2.gz QYEFCLCJLNHUJN-CNNODRBYSA-N 2 2 377.573 3.630 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC001257805683 1044188121 /nfs/dbraw/zinc/18/81/21/1044188121.db2.gz QYEFCLCJLNHUJN-CNNODRBYSA-N 2 2 377.573 3.630 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C[C@@H]1Cc1ccccc1 ZINC001257971895 1044292976 /nfs/dbraw/zinc/29/29/76/1044292976.db2.gz WRJUJDHWLHZOJJ-RTWAWAEBSA-N 2 2 398.551 3.874 20 0 GHADLP CCOC(=O)CC1CCC([N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001258033119 1044359521 /nfs/dbraw/zinc/35/95/21/1044359521.db2.gz SFFATQDOVCHHEZ-VLOYRQLPSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)CC1CCC([N@H+]2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001258033119 1044359536 /nfs/dbraw/zinc/35/95/36/1044359536.db2.gz SFFATQDOVCHHEZ-VLOYRQLPSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)CC1CCC([NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)CC1 ZINC001258033119 1044359550 /nfs/dbraw/zinc/35/95/50/1044359550.db2.gz SFFATQDOVCHHEZ-VLOYRQLPSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)CC1CCC([NH+]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001258033119 1044359561 /nfs/dbraw/zinc/35/95/61/1044359561.db2.gz SFFATQDOVCHHEZ-VLOYRQLPSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC001258135508 1044418925 /nfs/dbraw/zinc/41/89/25/1044418925.db2.gz LSRMVXCQLIPHPG-QHCPKHFHSA-N 2 2 380.532 3.978 20 0 GHADLP CCOC(=O)C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(O)c1 ZINC001258135767 1044420847 /nfs/dbraw/zinc/42/08/47/1044420847.db2.gz CZAJUPIMLKGWGG-HSZRJFAPSA-N 2 2 396.531 3.683 20 0 GHADLP C[N@H+](Cc1cncc(Br)c1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141459 1044427359 /nfs/dbraw/zinc/42/73/59/1044427359.db2.gz ABKUJRRABGYLQR-UHFFFAOYSA-N 2 2 388.353 3.983 20 0 GHADLP C[N@@H+](Cc1cncc(Br)c1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141459 1044427364 /nfs/dbraw/zinc/42/73/64/1044427364.db2.gz ABKUJRRABGYLQR-UHFFFAOYSA-N 2 2 388.353 3.983 20 0 GHADLP Cc1cccc(O[C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC001258149307 1044438735 /nfs/dbraw/zinc/43/87/35/1044438735.db2.gz IXTPJDOWDAHYSE-QHCPKHFHSA-N 2 2 379.548 3.940 20 0 GHADLP Cc1cccc(O[C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC001258149307 1044438744 /nfs/dbraw/zinc/43/87/44/1044438744.db2.gz IXTPJDOWDAHYSE-QHCPKHFHSA-N 2 2 379.548 3.940 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)CC2)cc1 ZINC001258149125 1044438992 /nfs/dbraw/zinc/43/89/92/1044438992.db2.gz ZDIRPBLZBAQOPD-AHWVRZQESA-N 2 2 389.587 3.900 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)CC2)cc1 ZINC001258149125 1044439000 /nfs/dbraw/zinc/43/90/00/1044439000.db2.gz ZDIRPBLZBAQOPD-AHWVRZQESA-N 2 2 389.587 3.900 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001258418864 1044552632 /nfs/dbraw/zinc/55/26/32/1044552632.db2.gz IQWCLYDDGAZSKA-BJKOFHAPSA-N 2 2 397.538 3.674 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001258418864 1044552644 /nfs/dbraw/zinc/55/26/44/1044552644.db2.gz IQWCLYDDGAZSKA-BJKOFHAPSA-N 2 2 397.538 3.674 20 0 GHADLP COc1ccccc1C[NH+]1CCC([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC001258504923 1044584928 /nfs/dbraw/zinc/58/49/28/1044584928.db2.gz TWGSMQSIGIXFPR-UHFFFAOYSA-N 2 2 379.548 3.918 20 0 GHADLP C[C@@H](Cc1cccnc1)[NH2+]C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001258616437 1044670658 /nfs/dbraw/zinc/67/06/58/1044670658.db2.gz JTQSXRGULXNTNB-OFVILXPXSA-N 2 2 389.543 3.666 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001303314864 1047357700 /nfs/dbraw/zinc/35/77/00/1047357700.db2.gz YLXGWPDAFGYJGR-WIYYLYMNSA-N 2 2 375.532 3.686 20 0 GHADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3cc(F)c(Cl)cc3F)C2)C1 ZINC001279302928 1047761172 /nfs/dbraw/zinc/76/11/72/1047761172.db2.gz SKFHRIPPIVGJHA-FQEVSTJZSA-N 2 2 385.930 3.858 20 0 GHADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3cc(F)c(Cl)cc3F)C2)C1 ZINC001279302928 1047761177 /nfs/dbraw/zinc/76/11/77/1047761177.db2.gz SKFHRIPPIVGJHA-FQEVSTJZSA-N 2 2 385.930 3.858 20 0 GHADLP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)ccc1Cl)CC2 ZINC001279350762 1047777688 /nfs/dbraw/zinc/77/76/88/1047777688.db2.gz JVNGBJXTIBLNGA-UHFFFAOYSA-N 2 2 387.351 3.902 20 0 GHADLP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)ccc1Cl)CC2 ZINC001279350762 1047777695 /nfs/dbraw/zinc/77/76/95/1047777695.db2.gz JVNGBJXTIBLNGA-UHFFFAOYSA-N 2 2 387.351 3.902 20 0 GHADLP O=c1cccc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4scnc4Cl)(C2)CCC3)[nH]1 ZINC001279420279 1047799377 /nfs/dbraw/zinc/79/93/77/1047799377.db2.gz VMZWCWBQJLSTOP-ZWKOTPCHSA-N 2 2 378.929 3.622 20 0 GHADLP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3sccc3Br)(C1)CCC2 ZINC001279705273 1047924746 /nfs/dbraw/zinc/92/47/46/1047924746.db2.gz YRASMIUUOGPQKU-DLBZAZTESA-N 2 2 386.403 3.597 20 0 GHADLP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1csc(C(F)(F)F)c1)CC2 ZINC001279712301 1047930929 /nfs/dbraw/zinc/93/09/29/1047930929.db2.gz XGZPBJHFRYCCPO-UHFFFAOYSA-N 2 2 392.487 3.675 20 0 GHADLP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1csc(C(F)(F)F)c1)CC2 ZINC001279712301 1047930931 /nfs/dbraw/zinc/93/09/31/1047930931.db2.gz XGZPBJHFRYCCPO-UHFFFAOYSA-N 2 2 392.487 3.675 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+]3CCC[C@H]3C(C)(C)C)n2)CC1 ZINC001307506751 1049349652 /nfs/dbraw/zinc/34/96/52/1049349652.db2.gz OTFMLYXOCRFNEM-KRWDZBQOSA-N 2 2 378.586 3.824 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+]3CCC[C@H]3C(C)(C)C)n2)CC1 ZINC001307506751 1049349666 /nfs/dbraw/zinc/34/96/66/1049349666.db2.gz OTFMLYXOCRFNEM-KRWDZBQOSA-N 2 2 378.586 3.824 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@@H]4CCCC[C@H]43)CC2)cc1 ZINC001307604578 1049442223 /nfs/dbraw/zinc/44/22/23/1049442223.db2.gz UGLKBZLMFCENCJ-NKKJXINNSA-N 2 2 397.607 3.965 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](C)[C@@H]4CCCC[C@H]43)CC2)cc1 ZINC001307604578 1049442226 /nfs/dbraw/zinc/44/22/26/1049442226.db2.gz UGLKBZLMFCENCJ-NKKJXINNSA-N 2 2 397.607 3.965 20 0 GHADLP CSC[C@@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001307801128 1049600470 /nfs/dbraw/zinc/60/04/70/1049600470.db2.gz XXOIAPRXCLCSAP-GOSISDBHSA-N 2 2 382.017 3.927 20 0 GHADLP CSC[C@@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001307801128 1049600475 /nfs/dbraw/zinc/60/04/75/1049600475.db2.gz XXOIAPRXCLCSAP-GOSISDBHSA-N 2 2 382.017 3.927 20 0 GHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCc4ccsc4[C@@H]3C)CC2)cc1 ZINC001308046462 1049795662 /nfs/dbraw/zinc/79/56/62/1049795662.db2.gz NFSLSPULMZPZFA-IBGZPJMESA-N 2 2 397.588 3.710 20 0 GHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCc4ccsc4[C@@H]3C)CC2)cc1 ZINC001308046462 1049795668 /nfs/dbraw/zinc/79/56/68/1049795668.db2.gz NFSLSPULMZPZFA-IBGZPJMESA-N 2 2 397.588 3.710 20 0 GHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCc4ccsc4[C@@H]3C)CC2)cc1 ZINC001308046462 1049795673 /nfs/dbraw/zinc/79/56/73/1049795673.db2.gz NFSLSPULMZPZFA-IBGZPJMESA-N 2 2 397.588 3.710 20 0 GHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCc4ccsc4[C@@H]3C)CC2)cc1 ZINC001308046462 1049795680 /nfs/dbraw/zinc/79/56/80/1049795680.db2.gz NFSLSPULMZPZFA-IBGZPJMESA-N 2 2 397.588 3.710 20 0 GHADLP O[C@@H](C[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1)c1ccc(Cl)cc1 ZINC001308106540 1049852321 /nfs/dbraw/zinc/85/23/21/1049852321.db2.gz CFIRKYLTPVGHON-QFIPXVFZSA-N 2 2 388.939 3.598 20 0 GHADLP O[C@@H](C[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1)c1ccc(Cl)cc1 ZINC001308106540 1049852325 /nfs/dbraw/zinc/85/23/25/1049852325.db2.gz CFIRKYLTPVGHON-QFIPXVFZSA-N 2 2 388.939 3.598 20 0 GHADLP O[C@@H](C[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1)c1ccc(Cl)cc1 ZINC001308106540 1049852330 /nfs/dbraw/zinc/85/23/30/1049852330.db2.gz CFIRKYLTPVGHON-QFIPXVFZSA-N 2 2 388.939 3.598 20 0 GHADLP O[C@@H](C[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1)c1ccc(Cl)cc1 ZINC001308106540 1049852336 /nfs/dbraw/zinc/85/23/36/1049852336.db2.gz CFIRKYLTPVGHON-QFIPXVFZSA-N 2 2 388.939 3.598 20 0 GHADLP C[C@H](C[NH2+]Cc1ccc(F)cc1I)C[NH+]1CCCCC1 ZINC001308215814 1049915719 /nfs/dbraw/zinc/91/57/19/1049915719.db2.gz GJUQADFEBOZVOD-CYBMUJFWSA-N 2 2 390.284 3.642 20 0 GHADLP Cc1ccc(Br)c(F)c1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC001308331396 1049950521 /nfs/dbraw/zinc/95/05/21/1049950521.db2.gz VRIOEGSVDQNSDU-ROUUACIJSA-N 2 2 399.348 3.754 20 0 GHADLP CCSc1cccc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001308424860 1049973345 /nfs/dbraw/zinc/97/33/45/1049973345.db2.gz XXVKGRQVYBQMIZ-UHFFFAOYSA-N 2 2 386.561 3.799 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)CC(F)(F)F ZINC001308564226 1050011005 /nfs/dbraw/zinc/01/10/05/1050011005.db2.gz ITBWOJMKIGUQGO-JKSUJKDBSA-N 2 2 393.494 3.640 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)CC(F)(F)F ZINC001308564226 1050011008 /nfs/dbraw/zinc/01/10/08/1050011008.db2.gz ITBWOJMKIGUQGO-JKSUJKDBSA-N 2 2 393.494 3.640 20 0 GHADLP C[NH+](C)CCOC1CC[NH+](Cc2cc3c(cc(F)cc3Br)[nH]2)CC1 ZINC001308632219 1050041616 /nfs/dbraw/zinc/04/16/16/1050041616.db2.gz FSNVVXBLDMBMRX-UHFFFAOYSA-N 2 2 398.320 3.612 20 0 GHADLP Cc1cc([C@H]([NH3+])CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc(Cl)n1 ZINC001329244864 1050756046 /nfs/dbraw/zinc/75/60/46/1050756046.db2.gz SETCQPPRZWTWMQ-OAHLLOKOSA-N 2 2 393.944 3.514 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccc(F)cc1Br ZINC001343025125 1053504806 /nfs/dbraw/zinc/50/48/06/1053504806.db2.gz BUWZMACNVQYNSM-UHFFFAOYSA-N 2 2 389.228 3.659 20 0 GHADLP C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001474737095 1055137081 /nfs/dbraw/zinc/13/70/81/1055137081.db2.gz MWDHMKSGWZZRTM-YOEHRIQHSA-N 2 2 386.321 3.686 20 0 GHADLP C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001474737095 1055137090 /nfs/dbraw/zinc/13/70/90/1055137090.db2.gz MWDHMKSGWZZRTM-YOEHRIQHSA-N 2 2 386.321 3.686 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001319490539 1055287113 /nfs/dbraw/zinc/28/71/13/1055287113.db2.gz NYEDLSXJHIRHGQ-IEBWSBKVSA-N 2 2 398.576 3.864 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001319490539 1055287130 /nfs/dbraw/zinc/28/71/30/1055287130.db2.gz NYEDLSXJHIRHGQ-IEBWSBKVSA-N 2 2 398.576 3.864 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1c2ccccc2CC[C@H]1C ZINC001319894823 1055526597 /nfs/dbraw/zinc/52/65/97/1055526597.db2.gz GQWGEXGGMSUGDR-TXTKFYIRSA-N 2 2 378.564 3.723 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1c2ccccc2CC[C@H]1C ZINC001319894823 1055526611 /nfs/dbraw/zinc/52/66/11/1055526611.db2.gz GQWGEXGGMSUGDR-TXTKFYIRSA-N 2 2 378.564 3.723 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cc(OCC(F)F)ccn3)CC2)cc1 ZINC001320733084 1055943811 /nfs/dbraw/zinc/94/38/11/1055943811.db2.gz GYICROJTEHVGMS-UHFFFAOYSA-N 2 2 390.478 3.550 20 0 GHADLP C[NH+](C)[C@@H](CNC(=[NH2+])NCCc1cccs1)c1cccc(C(F)(F)F)c1 ZINC000849088178 1057589058 /nfs/dbraw/zinc/58/90/58/1057589058.db2.gz AXESSHWQRJMDBB-INIZCTEOSA-N 2 2 384.471 3.726 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC001327053181 1057589992 /nfs/dbraw/zinc/58/99/92/1057589992.db2.gz PCIALBRBVKSODK-HXUWFJFHSA-N 2 2 376.504 3.849 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC001327053181 1057589999 /nfs/dbraw/zinc/58/99/99/1057589999.db2.gz PCIALBRBVKSODK-HXUWFJFHSA-N 2 2 376.504 3.849 20 0 GHADLP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000849091531 1057590303 /nfs/dbraw/zinc/59/03/03/1057590303.db2.gz MYDYAWVLLIJTBP-QGZVFWFLSA-N 2 2 376.888 3.596 20 0 GHADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001338243434 1058472924 /nfs/dbraw/zinc/47/29/24/1058472924.db2.gz JOPSNRMGSQTIPX-UGESXGAOSA-N 2 2 392.632 3.505 20 0 GHADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001338243434 1058472935 /nfs/dbraw/zinc/47/29/35/1058472935.db2.gz JOPSNRMGSQTIPX-UGESXGAOSA-N 2 2 392.632 3.505 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CC[N@H+](CC)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC001446196624 1059729228 /nfs/dbraw/zinc/72/92/28/1059729228.db2.gz QYPUXMCXXUOAMS-MAUKXSAKSA-N 2 2 385.474 3.641 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CC[N@@H+](CC)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC001446196624 1059729245 /nfs/dbraw/zinc/72/92/45/1059729245.db2.gz QYPUXMCXXUOAMS-MAUKXSAKSA-N 2 2 385.474 3.641 20 0 GHADLP [NH3+]Cc1ccccc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001340170244 1059739409 /nfs/dbraw/zinc/73/94/09/1059739409.db2.gz XQJHJCGGALAXRF-SFHVURJKSA-N 2 2 375.875 3.505 20 0 GHADLP CN(C(=O)CCC[Si](C)(C)C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001447302989 1059945275 /nfs/dbraw/zinc/94/52/75/1059945275.db2.gz FDTPGBKHBWYLKZ-WOJBJXKFSA-N 2 2 381.681 3.900 20 0 GHADLP CN(C(=O)CCC[Si](C)(C)C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001447302989 1059945282 /nfs/dbraw/zinc/94/52/82/1059945282.db2.gz FDTPGBKHBWYLKZ-WOJBJXKFSA-N 2 2 381.681 3.900 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)o2)[C@H]1c1ccc(F)cc1 ZINC001545813806 1062017456 /nfs/dbraw/zinc/01/74/56/1062017456.db2.gz OVCMZFYOCZABBK-TZIWHRDSSA-N 2 2 385.483 3.580 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)o2)[C@H]1c1ccc(F)cc1 ZINC001545813806 1062017487 /nfs/dbraw/zinc/01/74/87/1062017487.db2.gz OVCMZFYOCZABBK-TZIWHRDSSA-N 2 2 385.483 3.580 20 0 GHADLP OCCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCc2ccccc21 ZINC001459580751 1064133991 /nfs/dbraw/zinc/13/39/91/1064133991.db2.gz NRZGFXDIRRLNGX-VWLOTQADSA-N 2 2 394.559 3.781 20 0 GHADLP OCCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCc2ccccc21 ZINC001459580751 1064133992 /nfs/dbraw/zinc/13/39/92/1064133992.db2.gz NRZGFXDIRRLNGX-VWLOTQADSA-N 2 2 394.559 3.781 20 0 GHADLP FC1(F)Oc2ccc(CC[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cc2O1 ZINC001459928755 1064280444 /nfs/dbraw/zinc/28/04/44/1064280444.db2.gz CIWGLSHWYAEMTQ-UHFFFAOYSA-N 2 2 377.435 3.940 20 0 GHADLP Cc1c2cc(C)c(C)cc2sc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001465004063 1065320595 /nfs/dbraw/zinc/32/05/95/1065320595.db2.gz PNAGSSAOORTSAY-KRWDZBQOSA-N 2 2 385.577 3.725 20 0 GHADLP Cc1c2cc(C)c(C)cc2sc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001465004063 1065320606 /nfs/dbraw/zinc/32/06/06/1065320606.db2.gz PNAGSSAOORTSAY-KRWDZBQOSA-N 2 2 385.577 3.725 20 0 GHADLP C[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001200173242 1065473911 /nfs/dbraw/zinc/47/39/11/1065473911.db2.gz QSGARKAIYRRAFC-ZDUSSCGKSA-N 2 2 391.821 3.673 20 0 GHADLP C[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001200173240 1065475311 /nfs/dbraw/zinc/47/53/11/1065475311.db2.gz QSGARKAIYRRAFC-CYBMUJFWSA-N 2 2 391.821 3.673 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001466098312 1065982334 /nfs/dbraw/zinc/98/23/34/1065982334.db2.gz CJJICNDDWNEFAS-AABGKKOBSA-N 2 2 389.902 3.643 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001466098312 1065982339 /nfs/dbraw/zinc/98/23/39/1065982339.db2.gz CJJICNDDWNEFAS-AABGKKOBSA-N 2 2 389.902 3.643 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)c1ccco1 ZINC001467373574 1067259122 /nfs/dbraw/zinc/25/91/22/1067259122.db2.gz RKYZJHQPAOTRCR-SFHVURJKSA-N 2 2 385.512 3.870 20 0 GHADLP C[NH+](C)CCCCCCCNC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC001477640963 1078503557 /nfs/dbraw/zinc/50/35/57/1078503557.db2.gz WNJZJPZFOXOZEZ-UHFFFAOYSA-N 2 2 399.583 3.507 20 0 GHADLP CCCC[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C(=O)Nc1cc(C)on1 ZINC000495652468 1067557002 /nfs/dbraw/zinc/55/70/02/1067557002.db2.gz BWTUKFYIKHMJSV-HXUWFJFHSA-N 2 2 384.524 3.518 20 0 GHADLP CCCC[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C(=O)Nc1cc(C)on1 ZINC000495652468 1067557009 /nfs/dbraw/zinc/55/70/09/1067557009.db2.gz BWTUKFYIKHMJSV-HXUWFJFHSA-N 2 2 384.524 3.518 20 0 GHADLP C[C@@H]1CCC[C@@](CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)([NH+](C)C)C1 ZINC001468178476 1067622284 /nfs/dbraw/zinc/62/22/84/1067622284.db2.gz YFCSPNQNZQPYQQ-GPVGVATHSA-N 2 2 398.595 3.538 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000531656882 1067651220 /nfs/dbraw/zinc/65/12/20/1067651220.db2.gz VJDZLXOJIXBJLZ-GOSISDBHSA-N 2 2 397.567 3.515 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000531656882 1067651228 /nfs/dbraw/zinc/65/12/28/1067651228.db2.gz VJDZLXOJIXBJLZ-GOSISDBHSA-N 2 2 397.567 3.515 20 0 GHADLP COc1cc2c(cc1CNc1ccc(N3CCC([NH+](C)C)CC3)c[nH+]1)O[C@@H](C)C2 ZINC000533187481 1067663499 /nfs/dbraw/zinc/66/34/99/1067663499.db2.gz DIIILIIVURTUHO-INIZCTEOSA-N 2 2 396.535 3.556 20 0 GHADLP O=C(Cc1c[nH+]c[nH]1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001468804239 1067891166 /nfs/dbraw/zinc/89/11/66/1067891166.db2.gz WQZWARGNYNTIFZ-QFIPXVFZSA-N 2 2 380.536 3.636 20 0 GHADLP CCCCCC[C@H](CC)CN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001477926518 1078631575 /nfs/dbraw/zinc/63/15/75/1078631575.db2.gz IKBVEWRRIFCEQN-VQTJNVASSA-N 2 2 380.621 3.793 20 0 GHADLP CCCCCC[C@H](CC)CN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001477926518 1078631578 /nfs/dbraw/zinc/63/15/78/1078631578.db2.gz IKBVEWRRIFCEQN-VQTJNVASSA-N 2 2 380.621 3.793 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1C ZINC001460089980 1068776269 /nfs/dbraw/zinc/77/62/69/1068776269.db2.gz KJKLMHSZDMURKL-XMMPIXPASA-N 2 2 378.516 3.880 20 0 GHADLP COC(=O)c1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1C ZINC001460089980 1068776279 /nfs/dbraw/zinc/77/62/79/1068776279.db2.gz KJKLMHSZDMURKL-XMMPIXPASA-N 2 2 378.516 3.880 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1C ZINC001460089980 1068776294 /nfs/dbraw/zinc/77/62/94/1068776294.db2.gz KJKLMHSZDMURKL-XMMPIXPASA-N 2 2 378.516 3.880 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1C ZINC001460089980 1068776302 /nfs/dbraw/zinc/77/63/02/1068776302.db2.gz KJKLMHSZDMURKL-XMMPIXPASA-N 2 2 378.516 3.880 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCCn2c(=O)[nH]c3ccccc32)C1 ZINC001460969644 1069304039 /nfs/dbraw/zinc/30/40/39/1069304039.db2.gz CHNIKKWLRUVSCM-KRWDZBQOSA-N 2 2 381.524 3.963 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCCn2c(=O)[nH]c3ccccc32)C1 ZINC001460969644 1069304052 /nfs/dbraw/zinc/30/40/52/1069304052.db2.gz CHNIKKWLRUVSCM-KRWDZBQOSA-N 2 2 381.524 3.963 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC3CCC(CC)(CC)CC3)CC2)CC1 ZINC001478565066 1078918989 /nfs/dbraw/zinc/91/89/89/1078918989.db2.gz WEAOYXJMRMXNKA-UHFFFAOYSA-N 2 2 392.632 3.937 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC3CCC(CC)(CC)CC3)CC2)CC1 ZINC001478565066 1078918990 /nfs/dbraw/zinc/91/89/90/1078918990.db2.gz WEAOYXJMRMXNKA-UHFFFAOYSA-N 2 2 392.632 3.937 20 0 GHADLP CCNc1cc(CNC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)cc[nH+]1 ZINC001478770923 1078982356 /nfs/dbraw/zinc/98/23/56/1078982356.db2.gz POTQXQVGWGJFTP-NRFANRHFSA-N 2 2 397.567 3.814 20 0 GHADLP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001471180011 1072956056 /nfs/dbraw/zinc/95/60/56/1072956056.db2.gz IWBABZDZBDKRFC-QFIPXVFZSA-N 2 2 397.567 3.922 20 0 GHADLP CC[N@H+](CCCCCNC(C)=O)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001473225835 1073873450 /nfs/dbraw/zinc/87/34/50/1073873450.db2.gz BXGCLWJYJLWLNP-UHFFFAOYSA-N 2 2 389.588 3.506 20 0 GHADLP CC[N@@H+](CCCCCNC(C)=O)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001473225835 1073873466 /nfs/dbraw/zinc/87/34/66/1073873466.db2.gz BXGCLWJYJLWLNP-UHFFFAOYSA-N 2 2 389.588 3.506 20 0 GHADLP C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001473525852 1074002258 /nfs/dbraw/zinc/00/22/58/1074002258.db2.gz ILHDQXDYNBOCBG-WWNPGLIZSA-N 2 2 382.548 3.657 20 0 GHADLP C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001473525852 1074002265 /nfs/dbraw/zinc/00/22/65/1074002265.db2.gz ILHDQXDYNBOCBG-WWNPGLIZSA-N 2 2 382.548 3.657 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001473525852 1074002273 /nfs/dbraw/zinc/00/22/73/1074002273.db2.gz ILHDQXDYNBOCBG-WWNPGLIZSA-N 2 2 382.548 3.657 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001473525852 1074002279 /nfs/dbraw/zinc/00/22/79/1074002279.db2.gz ILHDQXDYNBOCBG-WWNPGLIZSA-N 2 2 382.548 3.657 20 0 GHADLP CO[C@H](CC(C)C)C[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001473528825 1074003805 /nfs/dbraw/zinc/00/38/05/1074003805.db2.gz GWMQRPJCRQDWAP-JOCHJYFZSA-N 2 2 394.003 3.988 20 0 GHADLP CCC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001473648211 1074066036 /nfs/dbraw/zinc/06/60/36/1074066036.db2.gz DQCYCQPYGIZIEK-KNQAVFIVSA-N 2 2 397.538 3.817 20 0 GHADLP CCC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001473648211 1074066042 /nfs/dbraw/zinc/06/60/42/1074066042.db2.gz DQCYCQPYGIZIEK-KNQAVFIVSA-N 2 2 397.538 3.817 20 0 GHADLP CCC[NH+](Cc1ccccc1F)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001473648211 1074066051 /nfs/dbraw/zinc/06/60/51/1074066051.db2.gz DQCYCQPYGIZIEK-KNQAVFIVSA-N 2 2 397.538 3.817 20 0 GHADLP CCC[NH+](Cc1ccccc1F)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001473648211 1074066059 /nfs/dbraw/zinc/06/60/59/1074066059.db2.gz DQCYCQPYGIZIEK-KNQAVFIVSA-N 2 2 397.538 3.817 20 0 GHADLP CO[C@H](C[NH2+][C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC001473844458 1074171475 /nfs/dbraw/zinc/17/14/75/1074171475.db2.gz DQCDDJZSYKMBOB-CXSMSNRLSA-N 2 2 394.559 3.686 20 0 GHADLP CO[C@H](C[NH2+][C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC001473844458 1074171477 /nfs/dbraw/zinc/17/14/77/1074171477.db2.gz DQCDDJZSYKMBOB-CXSMSNRLSA-N 2 2 394.559 3.686 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001473967137 1074220564 /nfs/dbraw/zinc/22/05/64/1074220564.db2.gz QGEBZFXFPONJOR-OAHLLOKOSA-N 2 2 376.526 3.813 20 0 GHADLP Cn1ccc(-c2nc(C[NH2+]C[C@H]3CCCC[N@H+](Cc4ccccc4)C3)cs2)n1 ZINC001474168838 1074282469 /nfs/dbraw/zinc/28/24/69/1074282469.db2.gz LVRUZBOXDORBCD-LJQANCHMSA-N 2 2 395.576 3.936 20 0 GHADLP Cn1ccc(-c2nc(C[NH2+]C[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)cs2)n1 ZINC001474168838 1074282474 /nfs/dbraw/zinc/28/24/74/1074282474.db2.gz LVRUZBOXDORBCD-LJQANCHMSA-N 2 2 395.576 3.936 20 0 GHADLP COc1cc(CCC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cc(OC)c1O ZINC001474222401 1074298700 /nfs/dbraw/zinc/29/87/00/1074298700.db2.gz PNIPTVKLNGDQDV-FQEVSTJZSA-N 2 2 398.547 3.985 20 0 GHADLP COc1cc(CCC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cc(OC)c1O ZINC001474222401 1074298701 /nfs/dbraw/zinc/29/87/01/1074298701.db2.gz PNIPTVKLNGDQDV-FQEVSTJZSA-N 2 2 398.547 3.985 20 0 GHADLP COc1ccc2c(c1)C[C@H]([NH2+]CC1([N@H+](C)Cc3ccccc3)CCOCC1)CC2 ZINC001474258426 1074312792 /nfs/dbraw/zinc/31/27/92/1074312792.db2.gz HSQSOMOTGLAONX-HSZRJFAPSA-N 2 2 394.559 3.823 20 0 GHADLP COc1ccc2c(c1)C[C@H]([NH2+]CC1([N@@H+](C)Cc3ccccc3)CCOCC1)CC2 ZINC001474258426 1074312796 /nfs/dbraw/zinc/31/27/96/1074312796.db2.gz HSQSOMOTGLAONX-HSZRJFAPSA-N 2 2 394.559 3.823 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001474301311 1074330254 /nfs/dbraw/zinc/33/02/54/1074330254.db2.gz JKJTZAMYHWDIJL-JEBQAFNWSA-N 2 2 379.335 3.917 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001474301311 1074330263 /nfs/dbraw/zinc/33/02/63/1074330263.db2.gz JKJTZAMYHWDIJL-JEBQAFNWSA-N 2 2 379.335 3.917 20 0 GHADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC001474690081 1074516819 /nfs/dbraw/zinc/51/68/19/1074516819.db2.gz LTNOQOXNUCZGDV-XPGWFJOJSA-N 2 2 391.506 3.703 20 0 GHADLP Fc1cccc(Cl)c1COc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000040719539 570604264 /nfs/dbraw/zinc/60/42/64/570604264.db2.gz YPCUXFTXHZYNQE-UHFFFAOYSA-N 2 2 392.902 3.870 20 0 GHADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000823791311 599475488 /nfs/dbraw/zinc/47/54/88/599475488.db2.gz AWXNTQKWWCZXJT-UHFFFAOYSA-N 2 2 391.523 3.507 20 0 GHADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(C3CC3)[nH+]1)CC2 ZINC001164711206 720155232 /nfs/dbraw/zinc/15/52/32/720155232.db2.gz GBBVHNZCDBXAFZ-OAQYLSRUSA-N 2 2 392.547 3.862 20 0 GHADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(C3CC3)[nH+]1)CC2 ZINC001164711206 720155236 /nfs/dbraw/zinc/15/52/36/720155236.db2.gz GBBVHNZCDBXAFZ-OAQYLSRUSA-N 2 2 392.547 3.862 20 0 GHADLP Cc1nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001164773816 721185585 /nfs/dbraw/zinc/18/55/85/721185585.db2.gz XEYCLYDTIGUTJE-RTWAWAEBSA-N 2 2 394.567 3.525 20 0 GHADLP Cc1nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001164773816 721185591 /nfs/dbraw/zinc/18/55/91/721185591.db2.gz XEYCLYDTIGUTJE-RTWAWAEBSA-N 2 2 394.567 3.525 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414083301 837412359 /nfs/dbraw/zinc/41/23/59/837412359.db2.gz WBMFENXGEBDIHV-RLLQIKCJSA-N 2 2 377.960 3.508 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414083301 837412361 /nfs/dbraw/zinc/41/23/61/837412361.db2.gz WBMFENXGEBDIHV-RLLQIKCJSA-N 2 2 377.960 3.508 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3C[C@@H](C(C)(C)C)c4ccccc43)C2)CC1 ZINC000683559069 837565729 /nfs/dbraw/zinc/56/57/29/837565729.db2.gz KKDIKXBVWLVCAT-YLJYHZDGSA-N 2 2 384.568 3.514 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3C[C@@H](C(C)(C)C)c4ccccc43)C2)CC1 ZINC000683559069 837565735 /nfs/dbraw/zinc/56/57/35/837565735.db2.gz KKDIKXBVWLVCAT-YLJYHZDGSA-N 2 2 384.568 3.514 20 0 GHADLP CCN(CC)[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Cl ZINC000655684322 837666871 /nfs/dbraw/zinc/66/68/71/837666871.db2.gz OAAVVVXGFPAUHB-KNQAVFIVSA-N 2 2 394.003 3.956 20 0 GHADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000583487910 834482606 /nfs/dbraw/zinc/48/26/06/834482606.db2.gz VNWNSSROYZHPPM-IBGZPJMESA-N 2 2 379.508 3.502 20 0 GHADLP Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)sc1-c1ccccc1 ZINC000654775016 834544626 /nfs/dbraw/zinc/54/46/26/834544626.db2.gz BGPHASJNVSVGJC-SFHVURJKSA-N 2 2 383.561 3.622 20 0 GHADLP Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)sc1-c1ccccc1 ZINC000654775016 834544629 /nfs/dbraw/zinc/54/46/29/834544629.db2.gz BGPHASJNVSVGJC-SFHVURJKSA-N 2 2 383.561 3.622 20 0 GHADLP FC(F)COc1ncccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090942479 834614809 /nfs/dbraw/zinc/61/48/09/834614809.db2.gz CEGBEWICOUXWAV-UHFFFAOYSA-N 2 2 375.463 3.522 20 0 GHADLP Brc1cccc(C2([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCC2)c1 ZINC000655742682 837791207 /nfs/dbraw/zinc/79/12/07/837791207.db2.gz VQYJNGXETZCPEE-GOSISDBHSA-N 2 2 379.342 3.671 20 0 GHADLP c1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n(-c2cc[nH+]cc2)n1 ZINC000657772971 834725694 /nfs/dbraw/zinc/72/56/94/834725694.db2.gz PDNKYTPAXZCTEP-OAQYLSRUSA-N 3 2 387.531 3.659 20 0 GHADLP c1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n(-c2cc[nH+]cc2)n1 ZINC000657772971 834725701 /nfs/dbraw/zinc/72/57/01/834725701.db2.gz PDNKYTPAXZCTEP-OAQYLSRUSA-N 3 2 387.531 3.659 20 0 GHADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000536082616 834729073 /nfs/dbraw/zinc/72/90/73/834729073.db2.gz SCOZLDDNTWIRRW-LJQANCHMSA-N 2 2 393.535 3.988 20 0 GHADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000536082616 834729084 /nfs/dbraw/zinc/72/90/84/834729084.db2.gz SCOZLDDNTWIRRW-LJQANCHMSA-N 2 2 393.535 3.988 20 0 GHADLP C[C@H]1CCc2c(sc3ncnc(NC4CC[NH+](C5CC[NH+](C)CC5)CC4)c23)C1 ZINC000050954544 834873533 /nfs/dbraw/zinc/87/35/33/834873533.db2.gz BIPPAOYYFIDCTO-HNNXBMFYSA-N 2 2 399.608 3.787 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000685468761 835032861 /nfs/dbraw/zinc/03/28/61/835032861.db2.gz TXOGLJFXUGXPDP-DHIUTWEWSA-N 3 2 384.487 3.791 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000158234888 835274277 /nfs/dbraw/zinc/27/42/77/835274277.db2.gz KHYMYZCLFYDZQK-OAQYLSRUSA-N 2 2 394.563 3.504 20 0 GHADLP FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000471173524 835413247 /nfs/dbraw/zinc/41/32/47/835413247.db2.gz POQZJYZRQBQITL-CYBMUJFWSA-N 2 2 377.370 3.858 20 0 GHADLP FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000471173524 835413254 /nfs/dbraw/zinc/41/32/54/835413254.db2.gz POQZJYZRQBQITL-CYBMUJFWSA-N 2 2 377.370 3.858 20 0 GHADLP CO[C@](C)(C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)COCc1ccccc1 ZINC000658130946 835440789 /nfs/dbraw/zinc/44/07/89/835440789.db2.gz AOIFHKZTXCIBSV-FGCOXFRFSA-N 2 2 397.563 3.504 20 0 GHADLP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)COCc1ccccc1 ZINC000658130946 835440793 /nfs/dbraw/zinc/44/07/93/835440793.db2.gz AOIFHKZTXCIBSV-FGCOXFRFSA-N 2 2 397.563 3.504 20 0 GHADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000584044319 835506117 /nfs/dbraw/zinc/50/61/17/835506117.db2.gz RDMNRRWLTUMONP-HNSVSWJLSA-N 2 2 398.378 3.598 20 0 GHADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000584044319 835506122 /nfs/dbraw/zinc/50/61/22/835506122.db2.gz RDMNRRWLTUMONP-HNSVSWJLSA-N 2 2 398.378 3.598 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000429952018 844086511 /nfs/dbraw/zinc/08/65/11/844086511.db2.gz RSZNSVGGOLZGOS-QGZVFWFLSA-N 2 2 381.524 3.882 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000429952018 844086520 /nfs/dbraw/zinc/08/65/20/844086520.db2.gz RSZNSVGGOLZGOS-QGZVFWFLSA-N 2 2 381.524 3.882 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)CC1 ZINC000135267302 835860066 /nfs/dbraw/zinc/86/00/66/835860066.db2.gz YAZFLISHFQEJHX-YLJYHZDGSA-N 2 2 394.531 3.535 20 0 GHADLP CN(C(=O)c1cc2sccc2[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000430295566 836069649 /nfs/dbraw/zinc/06/96/49/836069649.db2.gz QYCHZRURXMLTSO-RBUKOAKNSA-N 2 2 388.581 3.639 20 0 GHADLP CN(C(=O)c1cc2sccc2[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000430295566 836069657 /nfs/dbraw/zinc/06/96/57/836069657.db2.gz QYCHZRURXMLTSO-RBUKOAKNSA-N 2 2 388.581 3.639 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCN(c3ccccc3F)C2=O)c(C)c1 ZINC000533534724 836296038 /nfs/dbraw/zinc/29/60/38/836296038.db2.gz SSJARZZNRYZTKM-SFTDATJTSA-N 2 2 392.478 3.775 20 0 GHADLP Cc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)[NH+]2CCCC2)cc1 ZINC000152922437 836412376 /nfs/dbraw/zinc/41/23/76/836412376.db2.gz QOCURFVYJGPARC-ILWGZMRPSA-N 2 2 395.551 3.621 20 0 GHADLP Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)[NH+]2CCCC2)cc1 ZINC000152922659 836412523 /nfs/dbraw/zinc/41/25/23/836412523.db2.gz QOCURFVYJGPARC-BAGYTPMASA-N 2 2 395.551 3.621 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000047675978 836505143 /nfs/dbraw/zinc/50/51/43/836505143.db2.gz SQYCYPYTSIIOAZ-UHFFFAOYSA-N 2 2 389.927 3.698 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000047675978 836505151 /nfs/dbraw/zinc/50/51/51/836505151.db2.gz SQYCYPYTSIIOAZ-UHFFFAOYSA-N 2 2 389.927 3.698 20 0 GHADLP OC1CC[NH+](CCC[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000180914161 844240449 /nfs/dbraw/zinc/24/04/49/844240449.db2.gz FBTCMYUAMOILAC-UHFFFAOYSA-N 2 2 382.426 3.902 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000103303314 837300808 /nfs/dbraw/zinc/30/08/08/837300808.db2.gz DAFPYFXNRHVJTC-IBGZPJMESA-N 2 2 395.551 3.804 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000103303314 837300815 /nfs/dbraw/zinc/30/08/15/837300815.db2.gz DAFPYFXNRHVJTC-IBGZPJMESA-N 2 2 395.551 3.804 20 0 GHADLP c1[nH+]c(-c2cccc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)c2)n2c1CCCC2 ZINC000655761864 837838061 /nfs/dbraw/zinc/83/80/61/837838061.db2.gz PVCHHAAFLTYYSL-QFIPXVFZSA-N 2 2 380.536 3.942 20 0 GHADLP O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000655790393 837905171 /nfs/dbraw/zinc/90/51/71/837905171.db2.gz AXSSBRDDVLKHHT-UNMCSNQZSA-N 2 2 375.516 3.727 20 0 GHADLP O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000655790393 837905179 /nfs/dbraw/zinc/90/51/79/837905179.db2.gz AXSSBRDDVLKHHT-UNMCSNQZSA-N 2 2 375.516 3.727 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655850354 838052188 /nfs/dbraw/zinc/05/21/88/838052188.db2.gz VDTNFRUACKETFH-ZVZYQTTQSA-N 2 2 379.932 3.672 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655850354 838052199 /nfs/dbraw/zinc/05/21/99/838052199.db2.gz VDTNFRUACKETFH-ZVZYQTTQSA-N 2 2 379.932 3.672 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000549801078 844303766 /nfs/dbraw/zinc/30/37/66/844303766.db2.gz OQSMPAWKVKKCSX-OAQYLSRUSA-N 2 2 381.568 3.972 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000549801078 844303777 /nfs/dbraw/zinc/30/37/77/844303777.db2.gz OQSMPAWKVKKCSX-OAQYLSRUSA-N 2 2 381.568 3.972 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@]3(O)CCCc4ccccc43)CC2)cc1 ZINC000158666157 844311166 /nfs/dbraw/zinc/31/11/66/844311166.db2.gz CVNQXMRPTOIGDZ-XMMPIXPASA-N 2 2 379.548 3.535 20 0 GHADLP C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000549906741 844316914 /nfs/dbraw/zinc/31/69/14/844316914.db2.gz ADRFPDWDQIJRJC-VGOFRKELSA-N 2 2 392.478 3.853 20 0 GHADLP Brc1ccc(-c2c[nH]c(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000415057087 839139988 /nfs/dbraw/zinc/13/99/88/839139988.db2.gz TWGPUWQSQYXYJH-MAUKXSAKSA-N 2 2 389.341 3.803 20 0 GHADLP Brc1ccc(-c2c[nH]c(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000415057087 839139995 /nfs/dbraw/zinc/13/99/95/839139995.db2.gz TWGPUWQSQYXYJH-MAUKXSAKSA-N 2 2 389.341 3.803 20 0 GHADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1csc(-c2ccccc2F)n1 ZINC000580301869 839200124 /nfs/dbraw/zinc/20/01/24/839200124.db2.gz XRTRNGZDUDUGNH-AWEZNQCLSA-N 2 2 383.496 3.927 20 0 GHADLP C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378491797 839215811 /nfs/dbraw/zinc/21/58/11/839215811.db2.gz GWHNWDLALJIAPJ-WMZHIEFXSA-N 2 2 388.515 3.572 20 0 GHADLP C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378491797 839215823 /nfs/dbraw/zinc/21/58/23/839215823.db2.gz GWHNWDLALJIAPJ-WMZHIEFXSA-N 2 2 388.515 3.572 20 0 GHADLP CC(=O)Nc1cc(Br)ccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000892874638 839292513 /nfs/dbraw/zinc/29/25/13/839292513.db2.gz PBSSWGLFSFDQOZ-UHFFFAOYSA-N 2 2 391.313 3.784 20 0 GHADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000473005855 839515609 /nfs/dbraw/zinc/51/56/09/839515609.db2.gz BJAHLRNPVKAISU-DHIUTWEWSA-N 2 2 379.548 3.908 20 0 GHADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000473005855 839515620 /nfs/dbraw/zinc/51/56/20/839515620.db2.gz BJAHLRNPVKAISU-DHIUTWEWSA-N 2 2 379.548 3.908 20 0 GHADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000473005855 839515624 /nfs/dbraw/zinc/51/56/24/839515624.db2.gz BJAHLRNPVKAISU-DHIUTWEWSA-N 2 2 379.548 3.908 20 0 GHADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000473005855 839515634 /nfs/dbraw/zinc/51/56/34/839515634.db2.gz BJAHLRNPVKAISU-DHIUTWEWSA-N 2 2 379.548 3.908 20 0 GHADLP CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000580552886 839797413 /nfs/dbraw/zinc/79/74/13/839797413.db2.gz FNZOAMPGMRKEOL-JOCHJYFZSA-N 2 2 393.531 3.758 20 0 GHADLP C[N@H+](CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)[C@H]1CCCc2ccccc21 ZINC000580612579 839898593 /nfs/dbraw/zinc/89/85/93/839898593.db2.gz SPGWSUOKGOFNAB-IBGZPJMESA-N 2 2 384.549 3.687 20 0 GHADLP C[N@@H+](CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)[C@H]1CCCc2ccccc21 ZINC000580612579 839898598 /nfs/dbraw/zinc/89/85/98/839898598.db2.gz SPGWSUOKGOFNAB-IBGZPJMESA-N 2 2 384.549 3.687 20 0 GHADLP CC(=O)N(c1nc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cs1)c1ccc(C)cc1 ZINC000580647888 839944862 /nfs/dbraw/zinc/94/48/62/839944862.db2.gz ZXLHYXADNHCJKJ-IBGZPJMESA-N 2 2 398.576 3.958 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)s1 ZINC000893019026 839947971 /nfs/dbraw/zinc/94/79/71/839947971.db2.gz IRGDBTNUDBRPGE-XJKSGUPXSA-N 2 2 379.551 3.554 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s1 ZINC000893019026 839947974 /nfs/dbraw/zinc/94/79/74/839947974.db2.gz IRGDBTNUDBRPGE-XJKSGUPXSA-N 2 2 379.551 3.554 20 0 GHADLP CCN(C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580685188 840012939 /nfs/dbraw/zinc/01/29/39/840012939.db2.gz KARNUUWPBSQCSY-HXUWFJFHSA-N 2 2 377.492 3.771 20 0 GHADLP CCN(C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580685188 840012950 /nfs/dbraw/zinc/01/29/50/840012950.db2.gz KARNUUWPBSQCSY-HXUWFJFHSA-N 2 2 377.492 3.771 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)[C@H]2CCCN(CC(F)(F)F)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000684093117 840322803 /nfs/dbraw/zinc/32/28/03/840322803.db2.gz KESNGSCUOFUUEJ-QRQLOZEOSA-N 2 2 397.485 3.525 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)[C@H]2CCCN(CC(F)(F)F)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000684093117 840322816 /nfs/dbraw/zinc/32/28/16/840322816.db2.gz KESNGSCUOFUUEJ-QRQLOZEOSA-N 2 2 397.485 3.525 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)[C@H]2CCCN(CC(F)(F)F)C2=O)CC[NH+]1Cc1ccccc1 ZINC000684093117 840322831 /nfs/dbraw/zinc/32/28/31/840322831.db2.gz KESNGSCUOFUUEJ-QRQLOZEOSA-N 2 2 397.485 3.525 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)[C@H]2CCCN(CC(F)(F)F)C2=O)CC[NH+]1Cc1ccccc1 ZINC000684093117 840322847 /nfs/dbraw/zinc/32/28/47/840322847.db2.gz KESNGSCUOFUUEJ-QRQLOZEOSA-N 2 2 397.485 3.525 20 0 GHADLP O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000581075762 840669771 /nfs/dbraw/zinc/66/97/71/840669771.db2.gz UOCFNQUVGMPAMA-KRWDZBQOSA-N 2 2 384.549 3.662 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cnccc1NC(=O)OC(C)(C)C ZINC000364103212 840797681 /nfs/dbraw/zinc/79/76/81/840797681.db2.gz JHKQLOPJAOVYGE-INIZCTEOSA-N 2 2 393.491 3.887 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(F)c(C(F)(F)F)cc3F)C2)CC1 ZINC000584772092 840825735 /nfs/dbraw/zinc/82/57/35/840825735.db2.gz TZKQFKKCCXZMLR-OAHLLOKOSA-N 2 2 391.428 3.584 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(F)c(C(F)(F)F)cc3F)C2)CC1 ZINC000584772092 840825743 /nfs/dbraw/zinc/82/57/43/840825743.db2.gz TZKQFKKCCXZMLR-OAHLLOKOSA-N 2 2 391.428 3.584 20 0 GHADLP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000246423171 841078446 /nfs/dbraw/zinc/07/84/46/841078446.db2.gz SFJWAGSNDJQZMB-BRWVUGGUSA-N 2 2 378.561 3.639 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)C2)s1 ZINC000581396612 841237326 /nfs/dbraw/zinc/23/73/26/841237326.db2.gz LJOHYKQNKRUYPH-XLBJILASSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)C2)s1 ZINC000581396612 841237331 /nfs/dbraw/zinc/23/73/31/841237331.db2.gz LJOHYKQNKRUYPH-XLBJILASSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)C2)s1 ZINC000581396612 841237340 /nfs/dbraw/zinc/23/73/40/841237340.db2.gz LJOHYKQNKRUYPH-XLBJILASSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)C2)s1 ZINC000581396612 841237347 /nfs/dbraw/zinc/23/73/47/841237347.db2.gz LJOHYKQNKRUYPH-XLBJILASSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1cc(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc(C)[nH+]1 ZINC000661333279 841633218 /nfs/dbraw/zinc/63/32/18/841633218.db2.gz NENDLGOAASKNHZ-QFIPXVFZSA-N 2 2 392.547 3.800 20 0 GHADLP Cc1cc(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc(C)[nH+]1 ZINC000661333279 841633225 /nfs/dbraw/zinc/63/32/25/841633225.db2.gz NENDLGOAASKNHZ-QFIPXVFZSA-N 2 2 392.547 3.800 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cccc4c3CCC4)CC2)cc1 ZINC000651821913 841660955 /nfs/dbraw/zinc/66/09/55/841660955.db2.gz BNWHOSXHVVNLPY-UHFFFAOYSA-N 2 2 377.532 3.888 20 0 GHADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(F)c(Cl)c3Cl)ccn2)CC1 ZINC000432229081 841988251 /nfs/dbraw/zinc/98/82/51/841988251.db2.gz AMORDJGZDWUKQL-UHFFFAOYSA-N 2 2 383.298 3.569 20 0 GHADLP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661853081 842237204 /nfs/dbraw/zinc/23/72/04/842237204.db2.gz BHDBWGYLGAKKDA-MOPGFXCFSA-N 2 2 399.583 3.515 20 0 GHADLP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661853081 842237215 /nfs/dbraw/zinc/23/72/15/842237215.db2.gz BHDBWGYLGAKKDA-MOPGFXCFSA-N 2 2 399.583 3.515 20 0 GHADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430661939 842250620 /nfs/dbraw/zinc/25/06/20/842250620.db2.gz GVJDLHATALTHLH-KDOFPFPSSA-N 2 2 384.351 3.588 20 0 GHADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430661939 842250631 /nfs/dbraw/zinc/25/06/31/842250631.db2.gz GVJDLHATALTHLH-KDOFPFPSSA-N 2 2 384.351 3.588 20 0 GHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000432420270 842436252 /nfs/dbraw/zinc/43/62/52/842436252.db2.gz AMFGMTFYRPBCBI-XUJQIHCRSA-N 2 2 397.485 3.661 20 0 GHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000432420270 842436256 /nfs/dbraw/zinc/43/62/56/842436256.db2.gz AMFGMTFYRPBCBI-XUJQIHCRSA-N 2 2 397.485 3.661 20 0 GHADLP C[N@H+](Cc1ccccc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000548319218 842579381 /nfs/dbraw/zinc/57/93/81/842579381.db2.gz NEGWNUAURBWZIH-GOSISDBHSA-N 2 2 381.524 3.784 20 0 GHADLP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000548319218 842579391 /nfs/dbraw/zinc/57/93/91/842579391.db2.gz NEGWNUAURBWZIH-GOSISDBHSA-N 2 2 381.524 3.784 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000648162176 842649383 /nfs/dbraw/zinc/64/93/83/842649383.db2.gz MXMLIPJSNJAVGQ-OKZBNKHCSA-N 2 2 378.303 3.555 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000648162176 842649391 /nfs/dbraw/zinc/64/93/91/842649391.db2.gz MXMLIPJSNJAVGQ-OKZBNKHCSA-N 2 2 378.303 3.555 20 0 GHADLP CC1(C)C[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c2ccccc21 ZINC000481427871 861369622 /nfs/dbraw/zinc/36/96/22/861369622.db2.gz ZFCRPLDWDZCRCG-QHCPKHFHSA-N 2 2 380.532 3.910 20 0 GHADLP Cc1cc(-c2noc([C@H](C)[NH2+]C3CCN(c4cccc[nH+]4)CC3)n2)ccc1F ZINC000276772708 843069354 /nfs/dbraw/zinc/06/93/54/843069354.db2.gz PFIIKVYLMWUYQU-HNNXBMFYSA-N 2 2 381.455 3.899 20 0 GHADLP COCCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1OC ZINC000512212220 843107084 /nfs/dbraw/zinc/10/70/84/843107084.db2.gz KRLOLCNWUJAQPK-PZJWPPBQSA-N 2 2 390.568 3.807 20 0 GHADLP COCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1OC ZINC000512212220 843107090 /nfs/dbraw/zinc/10/70/90/843107090.db2.gz KRLOLCNWUJAQPK-PZJWPPBQSA-N 2 2 390.568 3.807 20 0 GHADLP COCCOc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1OC ZINC000512212220 843107096 /nfs/dbraw/zinc/10/70/96/843107096.db2.gz KRLOLCNWUJAQPK-PZJWPPBQSA-N 2 2 390.568 3.807 20 0 GHADLP COCCOc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1OC ZINC000512212220 843107101 /nfs/dbraw/zinc/10/71/01/843107101.db2.gz KRLOLCNWUJAQPK-PZJWPPBQSA-N 2 2 390.568 3.807 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244834 843199340 /nfs/dbraw/zinc/19/93/40/843199340.db2.gz PMOHAQAPYJCBSW-FJIJXJHWSA-N 2 2 383.580 3.764 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244834 843199344 /nfs/dbraw/zinc/19/93/44/843199344.db2.gz PMOHAQAPYJCBSW-FJIJXJHWSA-N 2 2 383.580 3.764 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512244834 843199348 /nfs/dbraw/zinc/19/93/48/843199348.db2.gz PMOHAQAPYJCBSW-FJIJXJHWSA-N 2 2 383.580 3.764 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512244834 843199350 /nfs/dbraw/zinc/19/93/50/843199350.db2.gz PMOHAQAPYJCBSW-FJIJXJHWSA-N 2 2 383.580 3.764 20 0 GHADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344605 843255822 /nfs/dbraw/zinc/25/58/22/843255822.db2.gz CFVYZGUIIUAWEC-INIZCTEOSA-N 2 2 385.533 3.750 20 0 GHADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344605 843255831 /nfs/dbraw/zinc/25/58/31/843255831.db2.gz CFVYZGUIIUAWEC-INIZCTEOSA-N 2 2 385.533 3.750 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)C[C@H]2[NH2+]Cc3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662507995 843356171 /nfs/dbraw/zinc/35/61/71/843356171.db2.gz QONSTKIFYKWJKY-QKNQBKEWSA-N 2 2 387.886 3.575 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)C[C@H]2[NH2+]Cc3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662507995 843356180 /nfs/dbraw/zinc/35/61/80/843356180.db2.gz QONSTKIFYKWJKY-QKNQBKEWSA-N 2 2 387.886 3.575 20 0 GHADLP [NH3+]CCC[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000418679625 843535618 /nfs/dbraw/zinc/53/56/18/843535618.db2.gz UDEZAVKKRWXFCD-TZIWHRDSSA-N 2 2 395.551 3.589 20 0 GHADLP O=c1ccccn1C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000500501863 843544467 /nfs/dbraw/zinc/54/44/67/843544467.db2.gz VNQNPKRJXMZNCF-FQEVSTJZSA-N 2 2 376.485 3.627 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000152105988 844730728 /nfs/dbraw/zinc/73/07/28/844730728.db2.gz ZQDQHZYFHVSEQS-WIYYLYMNSA-N 2 2 383.540 3.518 20 0 GHADLP CC[NH+](CC)[C@H](CNc1cc(N2CCSCC2)[nH+]cn1)c1ccsc1 ZINC000433624040 845121925 /nfs/dbraw/zinc/12/19/25/845121925.db2.gz XFGCLGMQHZNEMO-MRXNPFEDSA-N 2 2 377.583 3.586 20 0 GHADLP COC(=O)c1c[nH]c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C1CC1 ZINC000894112989 845220446 /nfs/dbraw/zinc/22/04/46/845220446.db2.gz LKQNKEYAZMQONB-UHFFFAOYSA-N 2 2 382.508 3.591 20 0 GHADLP Cc1noc(C)c1C[NH+]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411357304 845341168 /nfs/dbraw/zinc/34/11/68/845341168.db2.gz SKPJBYPFXIBAAU-UHFFFAOYSA-N 2 2 382.552 3.595 20 0 GHADLP Cc1noc(C)c1CN1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411357304 845341180 /nfs/dbraw/zinc/34/11/80/845341180.db2.gz SKPJBYPFXIBAAU-UHFFFAOYSA-N 2 2 382.552 3.595 20 0 GHADLP O=C(CC[NH2+][C@H](c1cccs1)C1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000179417606 861572055 /nfs/dbraw/zinc/57/20/55/861572055.db2.gz HOSGWRUDGVFMKE-QFIPXVFZSA-N 2 2 398.576 3.703 20 0 GHADLP O=C(C[NH+]1CCCCCC1)Nc1cccc(NCc2cccc3[nH+]ccn32)c1 ZINC000179430093 861576799 /nfs/dbraw/zinc/57/67/99/861576799.db2.gz GVQUAPBYFSGTDQ-UHFFFAOYSA-N 2 2 377.492 3.761 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@@H](C)c2ccc(OC)cc2)[C@@H]1c1cnn(C)c1 ZINC000434015878 845730822 /nfs/dbraw/zinc/73/08/22/845730822.db2.gz KDMYVAQWZDLMSH-QMHWCDLVSA-N 2 2 384.568 3.937 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@@H](C)c2ccc(OC)cc2)[C@@H]1c1cnn(C)c1 ZINC000434015878 845730827 /nfs/dbraw/zinc/73/08/27/845730827.db2.gz KDMYVAQWZDLMSH-QMHWCDLVSA-N 2 2 384.568 3.937 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@@H](C)c2ccc(OC)cc2)[C@@H]1c1cnn(C)c1 ZINC000434015878 845730840 /nfs/dbraw/zinc/73/08/40/845730840.db2.gz KDMYVAQWZDLMSH-QMHWCDLVSA-N 2 2 384.568 3.937 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@@H](C)c2ccc(OC)cc2)[C@@H]1c1cnn(C)c1 ZINC000434015878 845730845 /nfs/dbraw/zinc/73/08/45/845730845.db2.gz KDMYVAQWZDLMSH-QMHWCDLVSA-N 2 2 384.568 3.937 20 0 GHADLP Cc1csc2nc(C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc(=O)n12 ZINC000156956352 845777988 /nfs/dbraw/zinc/77/79/88/845777988.db2.gz HZQBSPGNOUEDFB-UZLBHIALSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1csc2nc(C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc(=O)n12 ZINC000156956352 845777992 /nfs/dbraw/zinc/77/79/92/845777992.db2.gz HZQBSPGNOUEDFB-UZLBHIALSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1csc2nc(C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cc(=O)n12 ZINC000156956352 845777998 /nfs/dbraw/zinc/77/79/98/845777998.db2.gz HZQBSPGNOUEDFB-UZLBHIALSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1csc2nc(C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cc(=O)n12 ZINC000156956352 845778002 /nfs/dbraw/zinc/77/80/02/845778002.db2.gz HZQBSPGNOUEDFB-UZLBHIALSA-N 2 2 396.560 3.549 20 0 GHADLP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(F)c(F)c3F)cc2)CC1 ZINC000657312333 846071897 /nfs/dbraw/zinc/07/18/97/846071897.db2.gz GMZWEQGPADVGDN-UHFFFAOYSA-N 2 2 377.454 3.531 20 0 GHADLP CC1(C(=O)NCCCCNc2cccc[nH+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000157810816 846206335 /nfs/dbraw/zinc/20/63/35/846206335.db2.gz JRVOVXLUCHOUSB-UHFFFAOYSA-N 2 2 380.536 3.692 20 0 GHADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCO2 ZINC000760015738 846337639 /nfs/dbraw/zinc/33/76/39/846337639.db2.gz GXTQOCACKHAXIN-XZOQPEGZSA-N 2 2 380.532 3.953 20 0 GHADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCO2 ZINC000760015738 846337644 /nfs/dbraw/zinc/33/76/44/846337644.db2.gz GXTQOCACKHAXIN-XZOQPEGZSA-N 2 2 380.532 3.953 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1C ZINC000731500642 861665871 /nfs/dbraw/zinc/66/58/71/861665871.db2.gz IPBFSYGMQMCVON-LJQANCHMSA-N 2 2 388.556 3.551 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1C ZINC000731500642 861665879 /nfs/dbraw/zinc/66/58/79/861665879.db2.gz IPBFSYGMQMCVON-LJQANCHMSA-N 2 2 388.556 3.551 20 0 GHADLP Cc1ccccc1-n1nccc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000280452898 846403148 /nfs/dbraw/zinc/40/31/48/846403148.db2.gz ZADGOIMUBDHABR-LJQANCHMSA-N 2 2 375.520 3.891 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000502839193 846509858 /nfs/dbraw/zinc/50/98/58/846509858.db2.gz DDWMLKVAHVWTPE-BPRLYGGPSA-N 2 2 398.595 3.682 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000502839193 846509861 /nfs/dbraw/zinc/50/98/61/846509861.db2.gz DDWMLKVAHVWTPE-BPRLYGGPSA-N 2 2 398.595 3.682 20 0 GHADLP COc1ccc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)c(F)c1 ZINC000421818978 846619415 /nfs/dbraw/zinc/61/94/15/846619415.db2.gz DKZAYIOXSFAANY-QHCPKHFHSA-N 2 2 384.495 3.907 20 0 GHADLP COc1ccc(C[C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(C)c1OC ZINC000513761734 846637135 /nfs/dbraw/zinc/63/71/35/846637135.db2.gz OAVSZTXLFNHAFG-KRWDZBQOSA-N 2 2 379.504 3.978 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)c3cc(C)cc(C)c3)CC2)CC1 ZINC000422154629 846858829 /nfs/dbraw/zinc/85/88/29/846858829.db2.gz CMVSVZNHSPKUAX-FQEVSTJZSA-N 2 2 386.584 3.566 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)c3cc(C)cc(C)c3)CC2)CC1 ZINC000422154629 846858836 /nfs/dbraw/zinc/85/88/36/846858836.db2.gz CMVSVZNHSPKUAX-FQEVSTJZSA-N 2 2 386.584 3.566 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCCCC3CCCC3)CC2)CC1 ZINC000422182075 846898093 /nfs/dbraw/zinc/89/80/93/846898093.db2.gz MTQKMNCCYAXASW-UHFFFAOYSA-N 2 2 378.605 3.549 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCCCC3CCCC3)CC2)CC1 ZINC000422182075 846898101 /nfs/dbraw/zinc/89/81/01/846898101.db2.gz MTQKMNCCYAXASW-UHFFFAOYSA-N 2 2 378.605 3.549 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000673792359 861731587 /nfs/dbraw/zinc/73/15/87/861731587.db2.gz GGQJNHVXOAGECA-QHCPKHFHSA-N 2 2 389.503 3.854 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000673792359 861731600 /nfs/dbraw/zinc/73/16/00/861731600.db2.gz GGQJNHVXOAGECA-QHCPKHFHSA-N 2 2 389.503 3.854 20 0 GHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1nc2ccccc2n1C ZINC000272268063 847033514 /nfs/dbraw/zinc/03/35/14/847033514.db2.gz MYBWDABKSDSSSB-INIZCTEOSA-N 2 2 378.524 3.672 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cc(C(F)(F)F)nn2C)c(C)c1 ZINC000657414360 847083306 /nfs/dbraw/zinc/08/33/06/847083306.db2.gz MPIVCSGMSPBXGI-KRWDZBQOSA-N 2 2 377.414 3.783 20 0 GHADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3cc(Br)ccc3C2)cc1 ZINC000420362099 847139756 /nfs/dbraw/zinc/13/97/56/847139756.db2.gz AGEIGXNSHFSZBY-QGZVFWFLSA-N 2 2 375.310 3.558 20 0 GHADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3cc(Br)ccc3C2)cc1 ZINC000420362099 847139777 /nfs/dbraw/zinc/13/97/77/847139777.db2.gz AGEIGXNSHFSZBY-QGZVFWFLSA-N 2 2 375.310 3.558 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000420409273 847173282 /nfs/dbraw/zinc/17/32/82/847173282.db2.gz WVUDGVHOTJFXLD-NFBKMPQASA-N 2 2 393.531 3.668 20 0 GHADLP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000420409273 847173285 /nfs/dbraw/zinc/17/32/85/847173285.db2.gz WVUDGVHOTJFXLD-NFBKMPQASA-N 2 2 393.531 3.668 20 0 GHADLP COC[C@@H]([NH2+]Cc1cccc(C[NH2+][C@H](COC)c2ccco2)c1)c1ccco1 ZINC000273541802 847367045 /nfs/dbraw/zinc/36/70/45/847367045.db2.gz VOINWWAAWHWEIQ-WOJBJXKFSA-N 2 2 384.476 3.827 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)c1cccc(OC)c1 ZINC000420768366 847435799 /nfs/dbraw/zinc/43/57/99/847435799.db2.gz WBUDKXAXSYQSJC-OAQYLSRUSA-N 2 2 384.524 3.589 20 0 GHADLP Cc1cc(CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000420857382 847492384 /nfs/dbraw/zinc/49/23/84/847492384.db2.gz ZTGAKHISNWKNOG-UHFFFAOYSA-N 2 2 380.536 3.752 20 0 GHADLP Cc1cc(CNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000420857382 847492389 /nfs/dbraw/zinc/49/23/89/847492389.db2.gz ZTGAKHISNWKNOG-UHFFFAOYSA-N 2 2 380.536 3.752 20 0 GHADLP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000503369771 847633557 /nfs/dbraw/zinc/63/35/57/847633557.db2.gz PIPPFQKYLNTPBD-MRXNPFEDSA-N 2 2 394.441 3.935 20 0 GHADLP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000503369771 847633563 /nfs/dbraw/zinc/63/35/63/847633563.db2.gz PIPPFQKYLNTPBD-MRXNPFEDSA-N 2 2 394.441 3.935 20 0 GHADLP C[C@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C[NH+]1CCCCC1 ZINC000511169498 847689500 /nfs/dbraw/zinc/68/95/00/847689500.db2.gz OLTBQXCTKKCEOG-IAGOWNOFSA-N 2 2 393.601 3.619 20 0 GHADLP C[C@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C[NH+]1CCCCC1 ZINC000511169498 847689506 /nfs/dbraw/zinc/68/95/06/847689506.db2.gz OLTBQXCTKKCEOG-IAGOWNOFSA-N 2 2 393.601 3.619 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccccc3CSC)CC2)CC1 ZINC000421088700 847707349 /nfs/dbraw/zinc/70/73/49/847707349.db2.gz DHDYZXSWXMZKIR-UHFFFAOYSA-N 2 2 390.597 3.574 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccccc3CSC)CC2)CC1 ZINC000421088700 847707357 /nfs/dbraw/zinc/70/73/57/847707357.db2.gz DHDYZXSWXMZKIR-UHFFFAOYSA-N 2 2 390.597 3.574 20 0 GHADLP COc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])N2CCCCC2)cc1 ZINC000422769884 847816062 /nfs/dbraw/zinc/81/60/62/847816062.db2.gz VLFMBGPIINFESF-YGOYIFOWSA-N 2 2 381.564 3.770 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC000422788821 847821051 /nfs/dbraw/zinc/82/10/51/847821051.db2.gz NMNNIDPWGJNACE-ZBFHGGJFSA-N 2 2 395.425 3.749 20 0 GHADLP Clc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCCc4cccnc43)CC2)c1 ZINC000684955923 847896236 /nfs/dbraw/zinc/89/62/36/847896236.db2.gz WEIRWMHHYFQYRM-OAQYLSRUSA-N 2 2 384.955 3.914 20 0 GHADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000423009265 847936306 /nfs/dbraw/zinc/93/63/06/847936306.db2.gz VJWWRCFRCDTSHW-NTKDMRAZSA-N 3 2 377.532 3.960 20 0 GHADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000423009265 847936313 /nfs/dbraw/zinc/93/63/13/847936313.db2.gz VJWWRCFRCDTSHW-NTKDMRAZSA-N 3 2 377.532 3.960 20 0 GHADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000423009265 847936321 /nfs/dbraw/zinc/93/63/21/847936321.db2.gz VJWWRCFRCDTSHW-NTKDMRAZSA-N 2 2 377.532 3.960 20 0 GHADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000423009265 847936328 /nfs/dbraw/zinc/93/63/28/847936328.db2.gz VJWWRCFRCDTSHW-NTKDMRAZSA-N 2 2 377.532 3.960 20 0 GHADLP COc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC(C)C ZINC000192356681 861928034 /nfs/dbraw/zinc/92/80/34/861928034.db2.gz ORBRPKNYDTVKNL-QFIPXVFZSA-N 2 2 398.547 3.863 20 0 GHADLP COc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC(C)C ZINC000192356681 861928051 /nfs/dbraw/zinc/92/80/51/861928051.db2.gz ORBRPKNYDTVKNL-QFIPXVFZSA-N 2 2 398.547 3.863 20 0 GHADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CCn1cc[nH+]c1C ZINC000052120052 849138150 /nfs/dbraw/zinc/13/81/50/849138150.db2.gz ILZFPNSMFHEXLC-UHFFFAOYSA-N 2 2 378.307 3.841 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000522545392 862036145 /nfs/dbraw/zinc/03/61/45/862036145.db2.gz PNIQMGBCMRNKLR-RDTXWAMCSA-N 2 2 383.964 3.940 20 0 GHADLP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000583292820 849560205 /nfs/dbraw/zinc/56/02/05/849560205.db2.gz FGWIFFWKXFEJPL-PXNSSMCTSA-N 2 2 377.492 3.851 20 0 GHADLP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000583292820 849560211 /nfs/dbraw/zinc/56/02/11/849560211.db2.gz FGWIFFWKXFEJPL-PXNSSMCTSA-N 2 2 377.492 3.851 20 0 GHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(OCc2nccn2C)cc1 ZINC000162856700 849584301 /nfs/dbraw/zinc/58/43/01/849584301.db2.gz SLMNSGYBQSSPLX-SFHVURJKSA-N 2 2 379.508 3.937 20 0 GHADLP Cc1ccc(-n2cc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c(C(C)(C)C)n2)cc1 ZINC000657750666 849595240 /nfs/dbraw/zinc/59/52/40/849595240.db2.gz LGHWTHRPQMIMLU-JOCHJYFZSA-N 2 2 396.579 3.821 20 0 GHADLP Clc1sc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000657752539 849640525 /nfs/dbraw/zinc/64/05/25/849640525.db2.gz PKICJDJHMRXGNA-NSHDSACASA-N 2 2 379.751 3.507 20 0 GHADLP C[C@H](NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423104738 849754598 /nfs/dbraw/zinc/75/45/98/849754598.db2.gz MPCZHKHUZPCVAT-JQFCIGGWSA-N 2 2 377.882 3.995 20 0 GHADLP C[C@H](NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423104738 849754607 /nfs/dbraw/zinc/75/46/07/849754607.db2.gz MPCZHKHUZPCVAT-JQFCIGGWSA-N 2 2 377.882 3.995 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(F)c(Br)c1 ZINC000423229466 849817673 /nfs/dbraw/zinc/81/76/73/849817673.db2.gz HDNLZMXHHLLLHS-GFCCVEGCSA-N 2 2 379.277 3.566 20 0 GHADLP Cc1cc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)sc1Br ZINC000423230040 849819469 /nfs/dbraw/zinc/81/94/69/849819469.db2.gz IJCRBVVNHXYAKR-LBPRGKRZSA-N 2 2 381.343 3.797 20 0 GHADLP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000423251842 849831315 /nfs/dbraw/zinc/83/13/15/849831315.db2.gz WQAVZCUYUWNGGN-DHIUTWEWSA-N 2 2 393.535 3.831 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)cc1 ZINC000423320623 849855951 /nfs/dbraw/zinc/85/59/51/849855951.db2.gz DOFRRHGWSMEGRG-RTFZILSDSA-N 2 2 384.520 3.517 20 0 GHADLP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000583434247 849896465 /nfs/dbraw/zinc/89/64/65/849896465.db2.gz BRPQQXBGDDZGLU-OFNKIYASSA-N 2 2 380.532 3.953 20 0 GHADLP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000583434247 849896473 /nfs/dbraw/zinc/89/64/73/849896473.db2.gz BRPQQXBGDDZGLU-OFNKIYASSA-N 2 2 380.532 3.953 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(CCC[NH3+])CC3CCCC3)n2)C1 ZINC000414747181 849944494 /nfs/dbraw/zinc/94/44/94/849944494.db2.gz GUZAGHMXTBAHOJ-INIZCTEOSA-N 2 2 393.601 3.748 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(CCC[NH3+])CC3CCCC3)n2)C1 ZINC000414747181 849944502 /nfs/dbraw/zinc/94/45/02/849944502.db2.gz GUZAGHMXTBAHOJ-INIZCTEOSA-N 2 2 393.601 3.748 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(-c2ccccc2Br)s1 ZINC000423522943 849966261 /nfs/dbraw/zinc/96/62/61/849966261.db2.gz MLDUDUJDUZBZIE-STQMWFEESA-N 2 2 381.339 3.817 20 0 GHADLP CC(C)C[C@H](C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1)n1cc[nH+]c1 ZINC000908414693 850088257 /nfs/dbraw/zinc/08/82/57/850088257.db2.gz KUPZISKIIQIOLA-GOSISDBHSA-N 2 2 381.480 3.846 20 0 GHADLP CCC[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000668686942 850118237 /nfs/dbraw/zinc/11/82/37/850118237.db2.gz BIAVPJKFNUNGMT-FQEVSTJZSA-N 2 2 379.976 3.708 20 0 GHADLP CCC[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000668686942 850118244 /nfs/dbraw/zinc/11/82/44/850118244.db2.gz BIAVPJKFNUNGMT-FQEVSTJZSA-N 2 2 379.976 3.708 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC000514710829 850200706 /nfs/dbraw/zinc/20/07/06/850200706.db2.gz GEOFQFHDWDVIDX-AZUAARDMSA-N 2 2 383.561 3.790 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC000514710829 850200715 /nfs/dbraw/zinc/20/07/15/850200715.db2.gz GEOFQFHDWDVIDX-AZUAARDMSA-N 2 2 383.561 3.790 20 0 GHADLP C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000514716755 850208489 /nfs/dbraw/zinc/20/84/89/850208489.db2.gz HCWMQPCIZZQRMQ-OALUTQOASA-N 2 2 383.511 3.724 20 0 GHADLP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000514716755 850208500 /nfs/dbraw/zinc/20/85/00/850208500.db2.gz HCWMQPCIZZQRMQ-OALUTQOASA-N 2 2 383.511 3.724 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000514760390 850256281 /nfs/dbraw/zinc/25/62/81/850256281.db2.gz LLIDSXJOGXIJML-MOPGFXCFSA-N 2 2 393.531 3.990 20 0 GHADLP C[NH+](C)CCN(Cc1ccsc1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425318917 850297594 /nfs/dbraw/zinc/29/75/94/850297594.db2.gz VLYHBVDYSOGCQJ-IBGZPJMESA-N 2 2 382.533 3.584 20 0 GHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424377180 850415701 /nfs/dbraw/zinc/41/57/01/850415701.db2.gz LVVUMSTXXKAZNQ-CHWSQXEVSA-N 2 2 392.135 3.580 20 0 GHADLP C[NH2+]C1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000435391329 850458157 /nfs/dbraw/zinc/45/81/57/850458157.db2.gz SBPUDBPUIXHKCW-UHFFFAOYSA-N 2 2 390.531 3.791 20 0 GHADLP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000424424915 850459724 /nfs/dbraw/zinc/45/97/24/850459724.db2.gz IWVPXGPQQNRPAY-RTBURBONSA-N 2 2 390.890 3.813 20 0 GHADLP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000424424915 850459726 /nfs/dbraw/zinc/45/97/26/850459726.db2.gz IWVPXGPQQNRPAY-RTBURBONSA-N 2 2 390.890 3.813 20 0 GHADLP CN(C(=O)c1cc2c(ccc3ccccc23)o1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625504198 862169289 /nfs/dbraw/zinc/16/92/89/862169289.db2.gz SBDINGNKAPDOLR-IBGZPJMESA-N 2 2 391.515 3.827 20 0 GHADLP CN(C(=O)c1cc2c(ccc3ccccc23)o1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625504198 862169299 /nfs/dbraw/zinc/16/92/99/862169299.db2.gz SBDINGNKAPDOLR-IBGZPJMESA-N 2 2 391.515 3.827 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]3CCC3CCCC3)CC2)CC1 ZINC000487667098 850818817 /nfs/dbraw/zinc/81/88/17/850818817.db2.gz NYQADWXMCHJRGI-QFIPXVFZSA-N 2 2 390.616 3.689 20 0 GHADLP COc1cc(C[NH2+][C@H](C[NH3+])CC(C)C)cc(Br)c1OC(F)F ZINC000414830022 850840656 /nfs/dbraw/zinc/84/06/56/850840656.db2.gz AHXRXZOFTFIKMK-NSHDSACASA-N 2 2 381.261 3.522 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414840582 850920871 /nfs/dbraw/zinc/92/08/71/850920871.db2.gz XGVXPVZYTUFJAY-GUYCJALGSA-N 2 2 381.398 3.592 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000057611863 862193015 /nfs/dbraw/zinc/19/30/15/862193015.db2.gz WUQWTIUGHXGFDB-UHFFFAOYSA-N 2 2 398.551 3.890 20 0 GHADLP c1sc(CCc2ccccc2)nc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000440318448 851056141 /nfs/dbraw/zinc/05/61/41/851056141.db2.gz SFYXUULTVKNQSW-UHFFFAOYSA-N 2 2 399.604 3.863 20 0 GHADLP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000514001332 851130772 /nfs/dbraw/zinc/13/07/72/851130772.db2.gz JAETVOGHCGRBOT-QFIPXVFZSA-N 2 2 397.950 3.725 20 0 GHADLP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1Cl ZINC000187821208 851267376 /nfs/dbraw/zinc/26/73/76/851267376.db2.gz PHRSNAZONNKFFK-QGZVFWFLSA-N 2 2 389.765 3.990 20 0 GHADLP CCOc1cc2[nH+]ccc(N3CC[NH+](Cc4cc(C)no4)CC3)c2cc1OCC ZINC000488210872 851280996 /nfs/dbraw/zinc/28/09/96/851280996.db2.gz SVJDWJBLKHWRGT-UHFFFAOYSA-N 2 2 396.491 3.651 20 0 GHADLP CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000434617339 851357359 /nfs/dbraw/zinc/35/73/59/851357359.db2.gz UDLWFTHCQJZQRX-QHCPKHFHSA-N 2 2 398.526 3.589 20 0 GHADLP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000434617339 851357368 /nfs/dbraw/zinc/35/73/68/851357368.db2.gz UDLWFTHCQJZQRX-QHCPKHFHSA-N 2 2 398.526 3.589 20 0 GHADLP O[C@@H](COc1ccc(Oc2ccccc2)cc1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243533 851580587 /nfs/dbraw/zinc/58/05/87/851580587.db2.gz VBJRNUPKWCSHOC-HXUWFJFHSA-N 2 2 393.487 3.752 20 0 GHADLP Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000303361925 851585712 /nfs/dbraw/zinc/58/57/12/851585712.db2.gz JHQCUOOBMRMIKE-UHFFFAOYSA-N 2 2 396.579 3.793 20 0 GHADLP Cc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1F ZINC000515874831 851590014 /nfs/dbraw/zinc/59/00/14/851590014.db2.gz RNLFBTIWHSLVEA-QFIPXVFZSA-N 2 2 397.538 3.641 20 0 GHADLP Cc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1F ZINC000515874831 851590027 /nfs/dbraw/zinc/59/00/27/851590027.db2.gz RNLFBTIWHSLVEA-QFIPXVFZSA-N 2 2 397.538 3.641 20 0 GHADLP Cc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1F ZINC000515874830 851590523 /nfs/dbraw/zinc/59/05/23/851590523.db2.gz RNLFBTIWHSLVEA-JOCHJYFZSA-N 2 2 397.538 3.641 20 0 GHADLP Cc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1F ZINC000515874830 851590557 /nfs/dbraw/zinc/59/05/57/851590557.db2.gz RNLFBTIWHSLVEA-JOCHJYFZSA-N 2 2 397.538 3.641 20 0 GHADLP C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180725290 862299795 /nfs/dbraw/zinc/29/97/95/862299795.db2.gz ZXUGYCCUZJYROQ-KXBFYZLASA-N 2 2 380.879 3.982 20 0 GHADLP CCC(CC)[C@H](CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)[NH+](C)C ZINC000438000566 851937447 /nfs/dbraw/zinc/93/74/47/851937447.db2.gz HNWZRZMBDWRCJU-UTKZUKDTSA-N 2 2 390.572 3.568 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000438183458 852098964 /nfs/dbraw/zinc/09/89/64/852098964.db2.gz JMVJDXWYBCCSHH-LAUBAEHRSA-N 2 2 382.504 3.625 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000438183458 852098976 /nfs/dbraw/zinc/09/89/76/852098976.db2.gz JMVJDXWYBCCSHH-LAUBAEHRSA-N 2 2 382.504 3.625 20 0 GHADLP C[N@H+](Cc1cc(Cl)cc2cccnc21)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425956680 852112354 /nfs/dbraw/zinc/11/23/54/852112354.db2.gz FMEPYDDZISSEID-QHCPKHFHSA-N 2 2 395.934 3.957 20 0 GHADLP C[N@@H+](Cc1cc(Cl)cc2cccnc21)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425956680 852112356 /nfs/dbraw/zinc/11/23/56/852112356.db2.gz FMEPYDDZISSEID-QHCPKHFHSA-N 2 2 395.934 3.957 20 0 GHADLP C[NH+](Cc1cc(Cl)cc2cccnc21)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425956680 852112363 /nfs/dbraw/zinc/11/23/63/852112363.db2.gz FMEPYDDZISSEID-QHCPKHFHSA-N 2 2 395.934 3.957 20 0 GHADLP C[NH+](Cc1cc(Cl)cc2cccnc21)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425956680 852112367 /nfs/dbraw/zinc/11/23/67/852112367.db2.gz FMEPYDDZISSEID-QHCPKHFHSA-N 2 2 395.934 3.957 20 0 GHADLP CCOC(=O)[C@H](c1ccccc1)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489297475 852203783 /nfs/dbraw/zinc/20/37/83/852203783.db2.gz WSIFAGFRHILWAZ-QFIPXVFZSA-N 2 2 381.520 3.924 20 0 GHADLP CCOC(=O)[C@H](c1ccccc1)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489297475 852203792 /nfs/dbraw/zinc/20/37/92/852203792.db2.gz WSIFAGFRHILWAZ-QFIPXVFZSA-N 2 2 381.520 3.924 20 0 GHADLP CN(C(=O)CCCc1ccc(C(C)(C)C)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559034 862356682 /nfs/dbraw/zinc/35/66/82/862356682.db2.gz GJIFLEIVHGIVGJ-HSZRJFAPSA-N 2 2 399.623 3.934 20 0 GHADLP CN(C(=O)CCCc1ccc(C(C)(C)C)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559034 862356698 /nfs/dbraw/zinc/35/66/98/862356698.db2.gz GJIFLEIVHGIVGJ-HSZRJFAPSA-N 2 2 399.623 3.934 20 0 GHADLP C[C@H](c1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000517855680 852522720 /nfs/dbraw/zinc/52/27/20/852522720.db2.gz GNDDEJIEOODXDK-XXBNENTESA-N 2 2 393.531 3.683 20 0 GHADLP C[C@H](c1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000517855680 852522728 /nfs/dbraw/zinc/52/27/28/852522728.db2.gz GNDDEJIEOODXDK-XXBNENTESA-N 2 2 393.531 3.683 20 0 GHADLP CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c2ccccc2C1 ZINC000490142991 852788687 /nfs/dbraw/zinc/78/86/87/852788687.db2.gz LAPASFOEIOOFHS-OAQYLSRUSA-N 2 2 378.451 3.595 20 0 GHADLP Cn1cc(-c2ccc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)c(F)c3)s2)cn1 ZINC000414954417 852872771 /nfs/dbraw/zinc/87/27/71/852872771.db2.gz KQMMWPQDCYXXNW-VQIMIIECSA-N 2 2 388.487 3.662 20 0 GHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]13)C2 ZINC000507513431 852991606 /nfs/dbraw/zinc/99/16/06/852991606.db2.gz RNDMHBDMQUQGNY-CIAFKFPVSA-N 3 2 392.591 3.996 20 0 GHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]13)C2 ZINC000507513431 852991618 /nfs/dbraw/zinc/99/16/18/852991618.db2.gz RNDMHBDMQUQGNY-CIAFKFPVSA-N 3 2 392.591 3.996 20 0 GHADLP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000516858536 853087168 /nfs/dbraw/zinc/08/71/68/853087168.db2.gz MJCZZKRVFFJNFC-ILXRZTDVSA-N 2 2 398.536 3.600 20 0 GHADLP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439036438 853213328 /nfs/dbraw/zinc/21/33/28/853213328.db2.gz BTHLJTXQQPDAKZ-WMZOPIPTSA-N 2 2 379.508 3.587 20 0 GHADLP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439036438 853213337 /nfs/dbraw/zinc/21/33/37/853213337.db2.gz BTHLJTXQQPDAKZ-WMZOPIPTSA-N 2 2 379.508 3.587 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000518569909 853518430 /nfs/dbraw/zinc/51/84/30/853518430.db2.gz MLWVQJPYLXOERK-UHFFFAOYSA-N 2 2 384.549 3.977 20 0 GHADLP Cc1cscc1CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000426364949 853595353 /nfs/dbraw/zinc/59/53/53/853595353.db2.gz KBWOVCRMXBRUMN-VQTJNVASSA-N 2 2 392.613 3.535 20 0 GHADLP Cc1cscc1CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000426364949 853595358 /nfs/dbraw/zinc/59/53/58/853595358.db2.gz KBWOVCRMXBRUMN-VQTJNVASSA-N 2 2 392.613 3.535 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000440798450 853617568 /nfs/dbraw/zinc/61/75/68/853617568.db2.gz PPRYQZCONWICBD-CBQOVEMMSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000440798450 853617575 /nfs/dbraw/zinc/61/75/75/853617575.db2.gz PPRYQZCONWICBD-CBQOVEMMSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC2CC[NH+](CC(C)C)CC2)c(C)c1 ZINC000440810621 853655678 /nfs/dbraw/zinc/65/56/78/853655678.db2.gz DHEBYPIMYHWNGS-JOCHJYFZSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc2cc(C[N@@H+](C)C[C@]3(O)CC[NH+](Cc4ccccc4)C3)ccc2n1 ZINC000437969921 853729113 /nfs/dbraw/zinc/72/91/13/853729113.db2.gz PCTVLPUTGUWADS-XMMPIXPASA-N 2 2 375.516 3.612 20 0 GHADLP Cc1ccc2cc(C[N@H+](C)C[C@]3(O)CC[NH+](Cc4ccccc4)C3)ccc2n1 ZINC000437969921 853729115 /nfs/dbraw/zinc/72/91/15/853729115.db2.gz PCTVLPUTGUWADS-XMMPIXPASA-N 2 2 375.516 3.612 20 0 GHADLP Cc1ccc2cc(C[NH+](C)C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)ccc2n1 ZINC000437969921 853729118 /nfs/dbraw/zinc/72/91/18/853729118.db2.gz PCTVLPUTGUWADS-XMMPIXPASA-N 2 2 375.516 3.612 20 0 GHADLP Cc1ccc2cc(C[NH+](C)C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)ccc2n1 ZINC000437969921 853729122 /nfs/dbraw/zinc/72/91/22/853729122.db2.gz PCTVLPUTGUWADS-XMMPIXPASA-N 2 2 375.516 3.612 20 0 GHADLP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000571562600 853949569 /nfs/dbraw/zinc/94/95/69/853949569.db2.gz QARGEGIVJAHHIN-CYBMUJFWSA-N 2 2 389.849 3.619 20 0 GHADLP CC1CC[NH+]([C@@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc2)CC1 ZINC000588284776 854270271 /nfs/dbraw/zinc/27/02/71/854270271.db2.gz JEZKHYYBILKHMM-NRFANRHFSA-N 2 2 395.551 3.772 20 0 GHADLP CC(C)n1c(Sc2nc3ccccc3n3c[nH+]cc23)nnc1[C@H]1CCC[NH2+]C1 ZINC000623980917 862563535 /nfs/dbraw/zinc/56/35/35/862563535.db2.gz VETGJNUGRMDKLX-AWEZNQCLSA-N 2 2 393.520 3.673 20 0 GHADLP Cc1cccc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)c1 ZINC000328665796 854496157 /nfs/dbraw/zinc/49/61/57/854496157.db2.gz ZNAFGSJDTTUSMW-SFHVURJKSA-N 2 2 377.492 3.957 20 0 GHADLP Cc1cccc(-c2noc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)c1 ZINC000328665796 854496161 /nfs/dbraw/zinc/49/61/61/854496161.db2.gz ZNAFGSJDTTUSMW-SFHVURJKSA-N 2 2 377.492 3.957 20 0 GHADLP COc1ccc([C@H]2C[C@@H]([NH2+]C3CC[NH+](Cc4ccc(O)cc4)CC3)CCO2)cc1 ZINC001168613696 854873675 /nfs/dbraw/zinc/87/36/75/854873675.db2.gz JZCRXGXWMGNNBN-XUZZJYLKSA-N 2 2 396.531 3.875 20 0 GHADLP COc1ccc([C@@H]2C[C@@H]([NH2+]C3CC[NH+](Cc4ccc(O)cc4)CC3)CCO2)cc1 ZINC001168613691 854873700 /nfs/dbraw/zinc/87/37/00/854873700.db2.gz JZCRXGXWMGNNBN-URXFXBBRSA-N 2 2 396.531 3.875 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441453851 854925200 /nfs/dbraw/zinc/92/52/00/854925200.db2.gz ZYLCMLCCDZYVOL-IRLDBZIGSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441453851 854925209 /nfs/dbraw/zinc/92/52/09/854925209.db2.gz ZYLCMLCCDZYVOL-IRLDBZIGSA-N 2 2 383.580 3.622 20 0 GHADLP Oc1ccc(C2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000572667870 854925643 /nfs/dbraw/zinc/92/56/43/854925643.db2.gz QBAKSVFMSWDDFQ-DEOSSOPVSA-N 2 2 380.532 3.863 20 0 GHADLP Oc1ccc(C2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000572667870 854925646 /nfs/dbraw/zinc/92/56/46/854925646.db2.gz QBAKSVFMSWDDFQ-DEOSSOPVSA-N 2 2 380.532 3.863 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(SCC(F)F)cc1 ZINC000482033923 862627129 /nfs/dbraw/zinc/62/71/29/862627129.db2.gz QGFHAEIYENHQJD-CRAIPNDOSA-N 2 2 399.551 3.637 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(SCC(F)F)cc1 ZINC000482033923 862627138 /nfs/dbraw/zinc/62/71/38/862627138.db2.gz QGFHAEIYENHQJD-CRAIPNDOSA-N 2 2 399.551 3.637 20 0 GHADLP COC(=O)c1sc2c(c1Nc1ccc[nH+]c1N)CC[N@@H+](Cc1ccccc1)C2 ZINC001212398325 855033792 /nfs/dbraw/zinc/03/37/92/855033792.db2.gz OYKFZVFIMXPELB-UHFFFAOYSA-N 2 2 394.500 3.814 20 0 GHADLP COC(=O)c1sc2c(c1Nc1ccc[nH+]c1N)CC[N@H+](Cc1ccccc1)C2 ZINC001212398325 855033802 /nfs/dbraw/zinc/03/38/02/855033802.db2.gz OYKFZVFIMXPELB-UHFFFAOYSA-N 2 2 394.500 3.814 20 0 GHADLP Cn1ccc([C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)c2ccc(Cl)cc2)n1 ZINC000542672310 855065595 /nfs/dbraw/zinc/06/55/95/855065595.db2.gz YJOCNTDPAIDBGS-JOCHJYFZSA-N 2 2 398.938 3.893 20 0 GHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000057801096 855713474 /nfs/dbraw/zinc/71/34/74/855713474.db2.gz RSWJQLJUAYHKTE-JOCHJYFZSA-N 2 2 375.520 3.567 20 0 GHADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000057801096 855713478 /nfs/dbraw/zinc/71/34/78/855713478.db2.gz RSWJQLJUAYHKTE-JOCHJYFZSA-N 2 2 375.520 3.567 20 0 GHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000028695350 856004594 /nfs/dbraw/zinc/00/45/94/856004594.db2.gz LMQZEKLWODTMSN-UHFFFAOYSA-N 2 2 388.515 3.847 20 0 GHADLP Cc1ccc(S(=O)(=O)c2ccc(C[N@H+](C)CCCn3cc[nH+]c3)cc2)cc1 ZINC000181101560 862751838 /nfs/dbraw/zinc/75/18/38/862751838.db2.gz LCOBOVIMHIJPCY-UHFFFAOYSA-N 2 2 383.517 3.546 20 0 GHADLP Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+](C)CCCn3cc[nH+]c3)cc2)cc1 ZINC000181101560 862751846 /nfs/dbraw/zinc/75/18/46/862751846.db2.gz LCOBOVIMHIJPCY-UHFFFAOYSA-N 2 2 383.517 3.546 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](CC(F)F)CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895113180 856180074 /nfs/dbraw/zinc/18/00/74/856180074.db2.gz UOECZWFJMBSZNB-BZUAXINKSA-N 2 2 398.498 3.706 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000674371991 856223139 /nfs/dbraw/zinc/22/31/39/856223139.db2.gz XPYWOTOGZIZHJC-QFIPXVFZSA-N 2 2 396.535 3.742 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(C)c1 ZINC000624782258 856355624 /nfs/dbraw/zinc/35/56/24/856355624.db2.gz HNNJYQAUYOEQKJ-IFMALSPDSA-N 2 2 395.551 3.557 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c(C)c1 ZINC000624782258 856355635 /nfs/dbraw/zinc/35/56/35/856355635.db2.gz HNNJYQAUYOEQKJ-IFMALSPDSA-N 2 2 395.551 3.557 20 0 GHADLP O=C(C[NH2+][C@H](c1ccccc1)C1CCC1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000104696564 856369923 /nfs/dbraw/zinc/36/99/23/856369923.db2.gz SNFUBZUUFLGGRP-HXUWFJFHSA-N 2 2 384.549 3.808 20 0 GHADLP COc1ccc([C@@H]2C[C@H](N(c3cc[nH+]cc3F)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168676532 856592486 /nfs/dbraw/zinc/59/24/86/856592486.db2.gz NOQLNVDLAWLGSU-GCJKJVERSA-N 2 2 385.483 3.708 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NC3CCC(C(=O)OC(C)(C)C)CC3)[nH+]c2)C1 ZINC000507938909 856688693 /nfs/dbraw/zinc/68/86/93/856688693.db2.gz PJDWWVSYZQAESA-TVPLGVNVSA-N 2 2 388.556 3.534 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000111043455 856754853 /nfs/dbraw/zinc/75/48/53/856754853.db2.gz FLDZLAFPYGMYHP-NRFANRHFSA-N 2 2 380.467 3.711 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)cc1F ZINC000665259722 857207932 /nfs/dbraw/zinc/20/79/32/857207932.db2.gz NTGWROUDMGXXJF-JBYOLUDKSA-N 2 2 385.483 3.589 20 0 GHADLP COc1ccc([C@@H]2C[C@H]([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CCO2)cc1 ZINC001168582402 857241121 /nfs/dbraw/zinc/24/11/21/857241121.db2.gz DRMADNPBZJYAPP-VWNXMTODSA-N 2 2 396.531 3.537 20 0 GHADLP Cc1cc(C)c(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c(C)[nH+]1 ZINC000906691209 857244678 /nfs/dbraw/zinc/24/46/78/857244678.db2.gz KRTKOTZLUDMEDO-SFHVURJKSA-N 2 2 381.520 3.637 20 0 GHADLP CCOc1ccc([C@@H](CC)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1OCC ZINC000658293091 857253712 /nfs/dbraw/zinc/25/37/12/857253712.db2.gz CVYILJPZFWEDTR-WOJBJXKFSA-N 2 2 376.541 3.778 20 0 GHADLP CC(C)[C@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000675709463 857572552 /nfs/dbraw/zinc/57/25/52/857572552.db2.gz GLNZRBIAFWTTMU-QHCPKHFHSA-N 2 2 398.595 3.510 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccc(F)cc2O1 ZINC000675897999 857654642 /nfs/dbraw/zinc/65/46/42/857654642.db2.gz CEPZJXJZMCBAQI-NFBKMPQASA-N 2 2 384.495 3.655 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccc(F)cc2O1 ZINC000675897999 857654646 /nfs/dbraw/zinc/65/46/46/857654646.db2.gz CEPZJXJZMCBAQI-NFBKMPQASA-N 2 2 384.495 3.655 20 0 GHADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000675918222 857665274 /nfs/dbraw/zinc/66/52/74/857665274.db2.gz FJKJFVUIURMVGE-DYESRHJHSA-N 2 2 392.503 3.719 20 0 GHADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675921108 857665948 /nfs/dbraw/zinc/66/59/48/857665948.db2.gz VLSMXOXQBMAAPQ-NQIIRXRSSA-N 2 2 376.504 3.735 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cn3c(cccc3C)n2)CC1 ZINC000181636082 862950353 /nfs/dbraw/zinc/95/03/53/862950353.db2.gz MLLPTMDGOLGKRW-SFHVURJKSA-N 2 2 395.526 3.775 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000065889066 857857040 /nfs/dbraw/zinc/85/70/40/857857040.db2.gz LWZZCMFQLQZKHH-UHFFFAOYSA-N 2 2 383.536 3.881 20 0 GHADLP [NH3+]CC1(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CCCC1 ZINC000166672115 857976735 /nfs/dbraw/zinc/97/67/35/857976735.db2.gz YKWCLQKUMJSISK-UHFFFAOYSA-N 2 2 388.515 3.734 20 0 GHADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)NC1(c2ccccc2)CCC1 ZINC000543060870 858133945 /nfs/dbraw/zinc/13/39/45/858133945.db2.gz OBEPEMDKJZKWOV-UHFFFAOYSA-N 2 2 380.536 3.571 20 0 GHADLP Cn1ccnc1COc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000543061490 858139096 /nfs/dbraw/zinc/13/90/96/858139096.db2.gz XNKBSPCHBNLLDZ-UHFFFAOYSA-N 2 2 393.535 3.888 20 0 GHADLP CS[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C1 ZINC000922160090 858165925 /nfs/dbraw/zinc/16/59/25/858165925.db2.gz UDXMUPZNRUKJQG-RTWAWAEBSA-N 2 2 375.582 3.873 20 0 GHADLP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000674092562 862998014 /nfs/dbraw/zinc/99/80/14/862998014.db2.gz OUUNQYXQPUIFIW-RTWAWAEBSA-N 2 2 391.987 3.707 20 0 GHADLP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000674092562 862998023 /nfs/dbraw/zinc/99/80/23/862998023.db2.gz OUUNQYXQPUIFIW-RTWAWAEBSA-N 2 2 391.987 3.707 20 0 GHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605425629 863023982 /nfs/dbraw/zinc/02/39/82/863023982.db2.gz JDTHUURJWSPQPP-UHFFFAOYSA-N 2 2 399.454 3.775 20 0 GHADLP Cc1nc(C(F)(F)F)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000183658011 858789026 /nfs/dbraw/zinc/78/90/26/858789026.db2.gz MXXBUOLVUCGZQH-UHFFFAOYSA-N 2 2 391.503 3.795 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000482789641 858864839 /nfs/dbraw/zinc/86/48/39/858864839.db2.gz LZPJWBZPUCRVOV-DYESRHJHSA-N 2 2 391.987 3.587 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000482789641 858864842 /nfs/dbraw/zinc/86/48/42/858864842.db2.gz LZPJWBZPUCRVOV-DYESRHJHSA-N 2 2 391.987 3.587 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3F)C2)ccn1 ZINC000856550891 881370117 /nfs/dbraw/zinc/37/01/17/881370117.db2.gz YDOMQTOWPITMQW-QGZVFWFLSA-N 2 2 379.426 3.604 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3F)C2)ccn1 ZINC000856550891 881370131 /nfs/dbraw/zinc/37/01/31/881370131.db2.gz YDOMQTOWPITMQW-QGZVFWFLSA-N 2 2 379.426 3.604 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncc(CSC)s3)C2)ccn1 ZINC000856549775 881365273 /nfs/dbraw/zinc/36/52/73/881365273.db2.gz UUXSKTPSHIXEOM-KRWDZBQOSA-N 2 2 392.594 3.506 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncc(CSC)s3)C2)ccn1 ZINC000856549775 881365291 /nfs/dbraw/zinc/36/52/91/881365291.db2.gz UUXSKTPSHIXEOM-KRWDZBQOSA-N 2 2 392.594 3.506 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ncc(CSC)s3)C2)ccn1 ZINC000856549775 881365310 /nfs/dbraw/zinc/36/53/10/881365310.db2.gz UUXSKTPSHIXEOM-KRWDZBQOSA-N 2 2 392.594 3.506 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ncc(CSC)s3)C2)ccn1 ZINC000856549775 881365327 /nfs/dbraw/zinc/36/53/27/881365327.db2.gz UUXSKTPSHIXEOM-KRWDZBQOSA-N 2 2 392.594 3.506 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(F)c(F)c3F)C2)ccn1 ZINC000856550891 881370078 /nfs/dbraw/zinc/37/00/78/881370078.db2.gz YDOMQTOWPITMQW-QGZVFWFLSA-N 2 2 379.426 3.604 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(F)c(F)c3F)C2)ccn1 ZINC000856550891 881370098 /nfs/dbraw/zinc/37/00/98/881370098.db2.gz YDOMQTOWPITMQW-QGZVFWFLSA-N 2 2 379.426 3.604 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H](c3ccccc3)c3cncnc3)[nH+]c2)CC1 ZINC000543635551 859138212 /nfs/dbraw/zinc/13/82/12/859138212.db2.gz HTYFFAWHPSNYLL-QHCPKHFHSA-N 2 2 388.519 3.604 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)C[NH+]2CCCCCC2)c(C)c1 ZINC000483206027 859205932 /nfs/dbraw/zinc/20/59/32/859205932.db2.gz ZZZOOIAGZYJHIO-IFMALSPDSA-N 2 2 397.567 3.805 20 0 GHADLP CN(C(=O)c1ccccc1Oc1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472967 859283586 /nfs/dbraw/zinc/28/35/86/859283586.db2.gz AXLDYRINZSQZCV-HXUWFJFHSA-N 2 2 393.531 3.719 20 0 GHADLP CN(C(=O)c1ccccc1Oc1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472967 859283597 /nfs/dbraw/zinc/28/35/97/859283597.db2.gz AXLDYRINZSQZCV-HXUWFJFHSA-N 2 2 393.531 3.719 20 0 GHADLP CN(C(=O)CSc1ccc2ccccc2c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476906 859288811 /nfs/dbraw/zinc/28/88/11/859288811.db2.gz BVVLJFQVUJKMBW-NRFANRHFSA-N 2 2 397.588 3.559 20 0 GHADLP CN(C(=O)CSc1ccc2ccccc2c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476906 859288825 /nfs/dbraw/zinc/28/88/25/859288825.db2.gz BVVLJFQVUJKMBW-NRFANRHFSA-N 2 2 397.588 3.559 20 0 GHADLP Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)sc2cccc(F)c12 ZINC000601479103 859289861 /nfs/dbraw/zinc/28/98/61/859289861.db2.gz VNKGQSPOEHGRGR-INIZCTEOSA-N 2 2 389.540 3.589 20 0 GHADLP Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)sc2cccc(F)c12 ZINC000601479103 859289871 /nfs/dbraw/zinc/28/98/71/859289871.db2.gz VNKGQSPOEHGRGR-INIZCTEOSA-N 2 2 389.540 3.589 20 0 GHADLP CCOC(=O)c1csc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000191574515 859306563 /nfs/dbraw/zinc/30/65/63/859306563.db2.gz HHEUWKGSMDPMTD-UHFFFAOYSA-N 2 2 396.516 3.885 20 0 GHADLP COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000194871927 859324315 /nfs/dbraw/zinc/32/43/15/859324315.db2.gz ATXLCYGLYQJVHE-JOCHJYFZSA-N 2 2 396.531 3.573 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000069162687 859373133 /nfs/dbraw/zinc/37/31/33/859373133.db2.gz ZEYFZHMSWUJMMM-QFIPXVFZSA-N 2 2 383.511 3.775 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000069162687 859373141 /nfs/dbraw/zinc/37/31/41/859373141.db2.gz ZEYFZHMSWUJMMM-QFIPXVFZSA-N 2 2 383.511 3.775 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000532203167 881415665 /nfs/dbraw/zinc/41/56/65/881415665.db2.gz KBWLYENWCFMNQK-HUUCEWRRSA-N 2 2 387.446 3.624 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000532203167 881415825 /nfs/dbraw/zinc/41/58/25/881415825.db2.gz KBWLYENWCFMNQK-HUUCEWRRSA-N 2 2 387.446 3.624 20 0 GHADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429445185 859390132 /nfs/dbraw/zinc/39/01/32/859390132.db2.gz FQBNZJAYOBBBER-FPOVZHCZSA-N 2 2 392.547 3.765 20 0 GHADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429445185 859390137 /nfs/dbraw/zinc/39/01/37/859390137.db2.gz FQBNZJAYOBBBER-FPOVZHCZSA-N 2 2 392.547 3.765 20 0 GHADLP Cc1cccc(Oc2ccccc2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000669604164 859392574 /nfs/dbraw/zinc/39/25/74/859392574.db2.gz XOSJWJNDVJLICG-LJQANCHMSA-N 2 2 393.531 3.686 20 0 GHADLP Cc1cccc(Oc2ccccc2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000669604164 859392583 /nfs/dbraw/zinc/39/25/83/859392583.db2.gz XOSJWJNDVJLICG-LJQANCHMSA-N 2 2 393.531 3.686 20 0 GHADLP COc1cc2c(cc1OC)CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1C)CC2 ZINC000483543316 859439279 /nfs/dbraw/zinc/43/92/79/859439279.db2.gz LGXSWLVMKPLOGS-UHFFFAOYSA-N 2 2 377.488 3.799 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000114023093 859452515 /nfs/dbraw/zinc/45/25/15/859452515.db2.gz RUPLLJMLKKOPDY-UXHICEINSA-N 2 2 395.551 3.668 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000114023093 859452519 /nfs/dbraw/zinc/45/25/19/859452519.db2.gz RUPLLJMLKKOPDY-UXHICEINSA-N 2 2 395.551 3.668 20 0 GHADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000483623786 859496275 /nfs/dbraw/zinc/49/62/75/859496275.db2.gz MTDWFLZUXGWCAP-COPCDDAFSA-N 2 2 395.551 3.675 20 0 GHADLP Cc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1cccc(C[NH+]3CCSCC3)c1)C2 ZINC000483981224 859739613 /nfs/dbraw/zinc/73/96/13/859739613.db2.gz QBSFPYCSHGJZPZ-UHFFFAOYSA-N 2 2 395.572 3.541 20 0 GHADLP Cc1ccc2c(c1)CC[N@H+](CC(=O)Nc1cccc(C[NH+]3CCSCC3)c1)C2 ZINC000483981224 859739623 /nfs/dbraw/zinc/73/96/23/859739623.db2.gz QBSFPYCSHGJZPZ-UHFFFAOYSA-N 2 2 395.572 3.541 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2ccc(-c3ccccc3)cc2)CC1 ZINC000611409851 859745341 /nfs/dbraw/zinc/74/53/41/859745341.db2.gz VEQBZSKNHIRZFG-UHFFFAOYSA-N 2 2 380.532 3.903 20 0 GHADLP Cc1nc2sc3c(c2c(N[C@H]2CC[N@@H+](C4CC[NH+](C)CC4)C2)n1)CC[C@@H](C)C3 ZINC000602233319 859881832 /nfs/dbraw/zinc/88/18/32/859881832.db2.gz RRXREJKIXPWRSF-ZBFHGGJFSA-N 2 2 399.608 3.705 20 0 GHADLP Cc1nc2sc3c(c2c(N[C@H]2CC[N@H+](C4CC[NH+](C)CC4)C2)n1)CC[C@@H](C)C3 ZINC000602233319 859881840 /nfs/dbraw/zinc/88/18/40/859881840.db2.gz RRXREJKIXPWRSF-ZBFHGGJFSA-N 2 2 399.608 3.705 20 0 GHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCCCNc1cccc[nH+]1)[NH+](C)C ZINC000508915268 859987982 /nfs/dbraw/zinc/98/79/82/859987982.db2.gz FKDCSAIDOAWOQJ-RXVVDRJESA-N 2 2 383.540 3.573 20 0 GHADLP CC(C)C[C@@H](C[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)[NH+](C)C ZINC000921521233 860005202 /nfs/dbraw/zinc/00/52/02/860005202.db2.gz WZUNKWGAVZIDOF-MOPGFXCFSA-N 2 2 397.604 3.501 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000508919677 860020111 /nfs/dbraw/zinc/02/01/11/860020111.db2.gz KEHGGXSUCSDMJB-DENIHFKCSA-N 2 2 399.583 3.867 20 0 GHADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c3ccncc3)CC1)CC2 ZINC000280270884 860093782 /nfs/dbraw/zinc/09/37/82/860093782.db2.gz XWDONLGKUKGTTG-KKSFZXQISA-N 2 2 381.520 3.901 20 0 GHADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@H]3c3cccs3)CC2)c1 ZINC000057598307 860209619 /nfs/dbraw/zinc/20/96/19/860209619.db2.gz SZVVUFAPSXJQRX-FQEVSTJZSA-N 2 2 383.561 3.538 20 0 GHADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@H]3c3cccs3)CC2)c1 ZINC000057598307 860209633 /nfs/dbraw/zinc/20/96/33/860209633.db2.gz SZVVUFAPSXJQRX-FQEVSTJZSA-N 2 2 383.561 3.538 20 0 GHADLP Cc1cc(C)c(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC001127906754 860239941 /nfs/dbraw/zinc/23/99/41/860239941.db2.gz VHRRKTXYUROREL-DNQXCXABSA-N 2 2 399.623 3.950 20 0 GHADLP Cc1cc(C)c(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC001127906754 860239952 /nfs/dbraw/zinc/23/99/52/860239952.db2.gz VHRRKTXYUROREL-DNQXCXABSA-N 2 2 399.623 3.950 20 0 GHADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000023480245 860293879 /nfs/dbraw/zinc/29/38/79/860293879.db2.gz RMFROWZRYJVNTG-UHFFFAOYSA-N 2 2 390.531 3.792 20 0 GHADLP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000474576553 860374226 /nfs/dbraw/zinc/37/42/26/860374226.db2.gz LEDXPHWSVBDJML-QFIPXVFZSA-N 2 2 399.510 3.759 20 0 GHADLP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000474576553 860374233 /nfs/dbraw/zinc/37/42/33/860374233.db2.gz LEDXPHWSVBDJML-QFIPXVFZSA-N 2 2 399.510 3.759 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]CCCCn2cc[nH+]c2)cs1)c1ccc(F)cc1 ZINC000603511908 860782156 /nfs/dbraw/zinc/78/21/56/860782156.db2.gz FELIAUMYSUGUPW-UHFFFAOYSA-N 2 2 387.484 3.733 20 0 GHADLP Cn1c2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)cc2oc1=O ZINC000509071806 860795693 /nfs/dbraw/zinc/79/56/93/860795693.db2.gz RBKZKUXYCBXOQI-SFTDATJTSA-N 2 2 391.515 3.618 20 0 GHADLP Cn1c2ccc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)cc2oc1=O ZINC000509071806 860795695 /nfs/dbraw/zinc/79/56/95/860795695.db2.gz RBKZKUXYCBXOQI-SFTDATJTSA-N 2 2 391.515 3.618 20 0 GHADLP Cn1c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2oc1=O ZINC000509071806 860795701 /nfs/dbraw/zinc/79/57/01/860795701.db2.gz RBKZKUXYCBXOQI-SFTDATJTSA-N 2 2 391.515 3.618 20 0 GHADLP Cn1c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)cc2oc1=O ZINC000509071806 860795705 /nfs/dbraw/zinc/79/57/05/860795705.db2.gz RBKZKUXYCBXOQI-SFTDATJTSA-N 2 2 391.515 3.618 20 0 GHADLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2C[C@@H](C)C[C@H]2CC)c1=S ZINC000072918457 860941795 /nfs/dbraw/zinc/94/17/95/860941795.db2.gz RGRJIXDGEVINEG-ZWKOTPCHSA-N 2 2 377.602 3.706 20 0 GHADLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2C[C@@H](C)C[C@H]2CC)c1=S ZINC000072918457 860941810 /nfs/dbraw/zinc/94/18/10/860941810.db2.gz RGRJIXDGEVINEG-ZWKOTPCHSA-N 2 2 377.602 3.706 20 0 GHADLP Cc1c(-c2cc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)on2)cnn1C ZINC000282414803 860978649 /nfs/dbraw/zinc/97/86/49/860978649.db2.gz GIOUKERPQYASMI-JOCHJYFZSA-N 2 2 393.535 3.774 20 0 GHADLP Cc1c(-c2cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)on2)cnn1C ZINC000282414803 860978668 /nfs/dbraw/zinc/97/86/68/860978668.db2.gz GIOUKERPQYASMI-JOCHJYFZSA-N 2 2 393.535 3.774 20 0 GHADLP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)COC2 ZINC000481313141 861044259 /nfs/dbraw/zinc/04/42/59/861044259.db2.gz JFTROCIDRCVLNC-OAQYLSRUSA-N 2 2 393.575 3.965 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)[C@@H](C)C1 ZINC000481330688 861079198 /nfs/dbraw/zinc/07/91/98/861079198.db2.gz FJGVDKODFSILLQ-URXFXBBRSA-N 3 2 387.612 3.686 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)[C@@H](C)C1 ZINC000481330688 861079217 /nfs/dbraw/zinc/07/92/17/861079217.db2.gz FJGVDKODFSILLQ-URXFXBBRSA-N 3 2 387.612 3.686 20 0 GHADLP Cc1cccc([C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(C)(C)C)c1 ZINC000674158089 863076987 /nfs/dbraw/zinc/07/69/87/863076987.db2.gz JTUZPCONYLAIEN-PZJWPPBQSA-N 2 2 386.584 3.550 20 0 GHADLP Cc1cccc([C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(C)(C)C)c1 ZINC000674158089 863077002 /nfs/dbraw/zinc/07/70/02/863077002.db2.gz JTUZPCONYLAIEN-PZJWPPBQSA-N 2 2 386.584 3.550 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)nnn1-c1ccccc1 ZINC000482440560 863125298 /nfs/dbraw/zinc/12/52/98/863125298.db2.gz QWPRJERLEWGALT-DENIHFKCSA-N 2 2 389.547 3.791 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)nnn1-c1ccccc1 ZINC000482440560 863125314 /nfs/dbraw/zinc/12/53/14/863125314.db2.gz QWPRJERLEWGALT-DENIHFKCSA-N 2 2 389.547 3.791 20 0 GHADLP CCCCNc1[nH+]c2ccccc2n1C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000920091880 881635196 /nfs/dbraw/zinc/63/51/96/881635196.db2.gz ROEXNIUOONCXOM-FQEVSTJZSA-N 2 2 378.520 3.668 20 0 GHADLP CCCCNc1[nH+]c2ccccc2n1C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000920091880 881635204 /nfs/dbraw/zinc/63/52/04/881635204.db2.gz ROEXNIUOONCXOM-FQEVSTJZSA-N 2 2 378.520 3.668 20 0 GHADLP Cc1cccn2cc(CC(=O)N(C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)[nH+]c12 ZINC000606309186 863513234 /nfs/dbraw/zinc/51/32/34/863513234.db2.gz BGBHVJFMBDXOHS-DENIHFKCSA-N 2 2 390.531 3.697 20 0 GHADLP Cc1cccn2cc(CC(=O)N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)[nH+]c12 ZINC000606309186 863513240 /nfs/dbraw/zinc/51/32/40/863513240.db2.gz BGBHVJFMBDXOHS-DENIHFKCSA-N 2 2 390.531 3.697 20 0 GHADLP Cc1cccn2cc(CC(=O)N(C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)[nH+]c12 ZINC000606309188 863514339 /nfs/dbraw/zinc/51/43/39/863514339.db2.gz BGBHVJFMBDXOHS-SIKLNZKXSA-N 2 2 390.531 3.697 20 0 GHADLP Cc1cccn2cc(CC(=O)N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)[nH+]c12 ZINC000606309188 863514341 /nfs/dbraw/zinc/51/43/41/863514341.db2.gz BGBHVJFMBDXOHS-SIKLNZKXSA-N 2 2 390.531 3.697 20 0 GHADLP Brc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000494407805 881682138 /nfs/dbraw/zinc/68/21/38/881682138.db2.gz VFFVAMJUETVBBD-NSHDSACASA-N 2 2 385.103 3.513 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1OCc1ccc(F)cc1 ZINC000494409739 881685739 /nfs/dbraw/zinc/68/57/39/881685739.db2.gz ZWQHFMKCYLUHNY-LJQANCHMSA-N 2 2 381.451 3.714 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000606580136 863728740 /nfs/dbraw/zinc/72/87/40/863728740.db2.gz BGFXQZGYSYHYNO-UHFFFAOYSA-N 2 2 377.492 3.507 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000606580136 863728749 /nfs/dbraw/zinc/72/87/49/863728749.db2.gz BGFXQZGYSYHYNO-UHFFFAOYSA-N 2 2 377.492 3.507 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccc4[nH+]ccn4c3)cc2)C1 ZINC000606581166 863730498 /nfs/dbraw/zinc/73/04/98/863730498.db2.gz SRMLBKMZRDNRKI-KRWDZBQOSA-N 2 2 377.492 3.888 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc4[nH+]ccn4c3)cc2)C1 ZINC000606581166 863730502 /nfs/dbraw/zinc/73/05/02/863730502.db2.gz SRMLBKMZRDNRKI-KRWDZBQOSA-N 2 2 377.492 3.888 20 0 GHADLP CCn1c(C)cc(C(=O)C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)c1C ZINC000444272315 863794083 /nfs/dbraw/zinc/79/40/83/863794083.db2.gz VFPKLIMLRSKFBT-UHFFFAOYSA-N 2 2 382.552 3.941 20 0 GHADLP CCn1c(C)cc(C(=O)C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)c1C ZINC000444272315 863794088 /nfs/dbraw/zinc/79/40/88/863794088.db2.gz VFPKLIMLRSKFBT-UHFFFAOYSA-N 2 2 382.552 3.941 20 0 GHADLP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N3CC[NH+](Cc4cccs4)CC3)c2)C1 ZINC000856738152 881705034 /nfs/dbraw/zinc/70/50/34/881705034.db2.gz URDROPOSOQTNTH-HXUWFJFHSA-N 2 2 383.561 3.515 20 0 GHADLP C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3CC[NH+](Cc4cccs4)CC3)c2)C1 ZINC000856738152 881705047 /nfs/dbraw/zinc/70/50/47/881705047.db2.gz URDROPOSOQTNTH-HXUWFJFHSA-N 2 2 383.561 3.515 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@@H](c3ccc(OC(C)C)cc3)[NH+](C)C)ccc2[nH+]1 ZINC000554224437 863888590 /nfs/dbraw/zinc/88/85/90/863888590.db2.gz DXMUXWAJRJYZHQ-FQEVSTJZSA-N 2 2 395.507 3.854 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N(Cc3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000158702058 863921842 /nfs/dbraw/zinc/92/18/42/863921842.db2.gz VMUBVDYJFHWROC-GMAHTHKFSA-N 2 2 377.532 3.636 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N(Cc3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000158702058 863921847 /nfs/dbraw/zinc/92/18/47/863921847.db2.gz VMUBVDYJFHWROC-GMAHTHKFSA-N 2 2 377.532 3.636 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N(Cc3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000158702058 863921853 /nfs/dbraw/zinc/92/18/53/863921853.db2.gz VMUBVDYJFHWROC-GMAHTHKFSA-N 2 2 377.532 3.636 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N(Cc3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000158702058 863921859 /nfs/dbraw/zinc/92/18/59/863921859.db2.gz VMUBVDYJFHWROC-GMAHTHKFSA-N 2 2 377.532 3.636 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000158804293 863957531 /nfs/dbraw/zinc/95/75/31/863957531.db2.gz LOFYESAZUZCECH-JCKWVBRZSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000158804293 863957543 /nfs/dbraw/zinc/95/75/43/863957543.db2.gz LOFYESAZUZCECH-JCKWVBRZSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000158804293 863957555 /nfs/dbraw/zinc/95/75/55/863957555.db2.gz LOFYESAZUZCECH-JCKWVBRZSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000158804293 863957565 /nfs/dbraw/zinc/95/75/65/863957565.db2.gz LOFYESAZUZCECH-JCKWVBRZSA-N 2 2 384.351 3.587 20 0 GHADLP CCCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OCC ZINC000469872672 864270811 /nfs/dbraw/zinc/27/08/11/864270811.db2.gz PHRCPFORHXKEAA-ZOBUZTSGSA-N 2 2 397.357 3.806 20 0 GHADLP CCCOc1c(Br)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OCC ZINC000469872672 864270824 /nfs/dbraw/zinc/27/08/24/864270824.db2.gz PHRCPFORHXKEAA-ZOBUZTSGSA-N 2 2 397.357 3.806 20 0 GHADLP Fc1cccc(-c2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)o2)c1F ZINC000480361099 864550214 /nfs/dbraw/zinc/55/02/14/864550214.db2.gz WWBMCDWDUHGDBG-OAHLLOKOSA-N 2 2 376.447 3.815 20 0 GHADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000165994942 864706691 /nfs/dbraw/zinc/70/66/91/864706691.db2.gz SSGIKDMCIOUUCG-WIYYLYMNSA-N 2 2 384.520 3.818 20 0 GHADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000165994942 864706698 /nfs/dbraw/zinc/70/66/98/864706698.db2.gz SSGIKDMCIOUUCG-WIYYLYMNSA-N 2 2 384.520 3.818 20 0 GHADLP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1cc(Cl)ccc1Br ZINC000554723157 864798834 /nfs/dbraw/zinc/79/88/34/864798834.db2.gz RYTKAKDJGYUQPA-UHFFFAOYSA-N 2 2 398.732 3.728 20 0 GHADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000655710530 864803805 /nfs/dbraw/zinc/80/38/05/864803805.db2.gz ANWSRBIASYWJJB-UHFFFAOYSA-N 2 2 381.911 3.988 20 0 GHADLP CN(C(=O)C(C)(C)c1ccc2ccccc2c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607906668 864860038 /nfs/dbraw/zinc/86/00/38/864860038.db2.gz LTCJBDMMWVFYDY-QHCPKHFHSA-N 2 2 393.575 3.744 20 0 GHADLP CN(C(=O)C(C)(C)c1ccc2ccccc2c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607906668 864860054 /nfs/dbraw/zinc/86/00/54/864860054.db2.gz LTCJBDMMWVFYDY-QHCPKHFHSA-N 2 2 393.575 3.744 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCCN(C(=O)c3ccco3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065290 865074892 /nfs/dbraw/zinc/07/48/92/865074892.db2.gz VKNBQAHKWGNNQU-VTYHHJSWSA-N 2 2 395.547 3.869 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCCN(C(=O)c3ccco3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065290 865074906 /nfs/dbraw/zinc/07/49/06/865074906.db2.gz VKNBQAHKWGNNQU-VTYHHJSWSA-N 2 2 395.547 3.869 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+]2CCCN(C(=O)c3ccco3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065290 865074920 /nfs/dbraw/zinc/07/49/20/865074920.db2.gz VKNBQAHKWGNNQU-VTYHHJSWSA-N 2 2 395.547 3.869 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+]2CCCN(C(=O)c3ccco3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065290 865074936 /nfs/dbraw/zinc/07/49/36/865074936.db2.gz VKNBQAHKWGNNQU-VTYHHJSWSA-N 2 2 395.547 3.869 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cc(C)ccc3OC)cc2)CC1 ZINC000480706905 865122806 /nfs/dbraw/zinc/12/28/06/865122806.db2.gz QAHJCUVFDGOGOU-HXUWFJFHSA-N 2 2 381.564 3.992 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608407884 865290197 /nfs/dbraw/zinc/29/01/97/865290197.db2.gz FSVVOBCEDOWACD-TZIWHRDSSA-N 2 2 397.567 3.658 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608407884 865290204 /nfs/dbraw/zinc/29/02/04/865290204.db2.gz FSVVOBCEDOWACD-TZIWHRDSSA-N 2 2 397.567 3.658 20 0 GHADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608410686 865343058 /nfs/dbraw/zinc/34/30/58/865343058.db2.gz BZGOTIZFLAXXRL-ICSRJNTNSA-N 2 2 397.567 3.514 20 0 GHADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608410686 865343074 /nfs/dbraw/zinc/34/30/74/865343074.db2.gz BZGOTIZFLAXXRL-ICSRJNTNSA-N 2 2 397.567 3.514 20 0 GHADLP CC1CC[NH+](C[C@@H](O)CNc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301571213 865432358 /nfs/dbraw/zinc/43/23/58/865432358.db2.gz YAKPNOCDOHDHKK-AWEZNQCLSA-N 2 2 378.314 3.502 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@H]32)cc1 ZINC000301707588 865502871 /nfs/dbraw/zinc/50/28/71/865502871.db2.gz JBQSZDFSCNUDPW-FCHUYYIVSA-N 2 2 391.563 3.958 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@H]32)cc1 ZINC000301707588 865502874 /nfs/dbraw/zinc/50/28/74/865502874.db2.gz JBQSZDFSCNUDPW-FCHUYYIVSA-N 2 2 391.563 3.958 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1C ZINC000172232663 865533294 /nfs/dbraw/zinc/53/32/94/865533294.db2.gz HARVPJUSDXNAIF-HXUWFJFHSA-N 2 2 396.535 3.513 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1C ZINC000172232663 865533302 /nfs/dbraw/zinc/53/33/02/865533302.db2.gz HARVPJUSDXNAIF-HXUWFJFHSA-N 2 2 396.535 3.513 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)C2)cc1 ZINC000671240228 865714198 /nfs/dbraw/zinc/71/41/98/865714198.db2.gz KSKBYMZMLQSYQO-RUZDIDTESA-N 3 2 399.623 3.866 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)C2)cc1 ZINC000671240228 865714207 /nfs/dbraw/zinc/71/42/07/865714207.db2.gz KSKBYMZMLQSYQO-RUZDIDTESA-N 3 2 399.623 3.866 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000481185666 865953503 /nfs/dbraw/zinc/95/35/03/865953503.db2.gz WRWNTOSYDQPMBM-KGVIQGDOSA-N 2 2 383.511 3.961 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000481185666 865953511 /nfs/dbraw/zinc/95/35/11/865953511.db2.gz WRWNTOSYDQPMBM-KGVIQGDOSA-N 2 2 383.511 3.961 20 0 GHADLP C[C@H](C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)Cn1cc[nH+]c1 ZINC000494573809 881936683 /nfs/dbraw/zinc/93/66/83/881936683.db2.gz HWPLLWJFDOHMCO-OAHLLOKOSA-N 2 2 377.414 3.573 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000163145749 866360786 /nfs/dbraw/zinc/36/07/86/866360786.db2.gz UVYGOPAEQCTYGF-KDOFPFPSSA-N 2 2 394.350 3.696 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000163145749 866360789 /nfs/dbraw/zinc/36/07/89/866360789.db2.gz UVYGOPAEQCTYGF-KDOFPFPSSA-N 2 2 394.350 3.696 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1 ZINC000552870890 866361299 /nfs/dbraw/zinc/36/12/99/866361299.db2.gz UBUNTTFVDYYLCD-RBBKRZOGSA-N 2 2 377.488 3.530 20 0 GHADLP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000534315536 866547523 /nfs/dbraw/zinc/54/75/23/866547523.db2.gz UNQVPNQZGBJGQW-JKIFEVAISA-N 2 2 380.414 3.812 20 0 GHADLP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000534315536 866547530 /nfs/dbraw/zinc/54/75/30/866547530.db2.gz UNQVPNQZGBJGQW-JKIFEVAISA-N 2 2 380.414 3.812 20 0 GHADLP C[C@@H]1CCC[C@H](CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000534359828 866646139 /nfs/dbraw/zinc/64/61/39/866646139.db2.gz JCOVLBQIQLNZHZ-XMGTWHOFSA-N 2 2 377.617 3.998 20 0 GHADLP C[C@@H]1CCC[C@H](CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000534359828 866646147 /nfs/dbraw/zinc/64/61/47/866646147.db2.gz JCOVLBQIQLNZHZ-XMGTWHOFSA-N 2 2 377.617 3.998 20 0 GHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000153546362 866939430 /nfs/dbraw/zinc/93/94/30/866939430.db2.gz GLRUUZWONJSQRF-HBFSDRIKSA-N 2 2 383.540 3.605 20 0 GHADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000665881975 866953121 /nfs/dbraw/zinc/95/31/21/866953121.db2.gz KDDALYRPUMQAAC-FGZHOGPDSA-N 2 2 388.515 3.569 20 0 GHADLP CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000553231366 867014295 /nfs/dbraw/zinc/01/42/95/867014295.db2.gz GUPGQDSUPPHIPX-QFBILLFUSA-N 2 2 386.927 3.513 20 0 GHADLP C[C@@H](Cc1ccc(Cl)cc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000153783730 867076564 /nfs/dbraw/zinc/07/65/64/867076564.db2.gz VYXLMFONHVNVMJ-SFHVURJKSA-N 2 2 391.987 3.585 20 0 GHADLP CN(c1ccccc1CNc1ccc(N2CCCC2)[nH+]c1)C1CC[NH+](C)CC1 ZINC000163216234 867108988 /nfs/dbraw/zinc/10/89/88/867108988.db2.gz CDGRDAPBTNIBNO-UHFFFAOYSA-N 2 2 379.552 3.824 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@H](C[NH+]3CCCCCC3)C1)C2 ZINC000475612967 867163389 /nfs/dbraw/zinc/16/33/89/867163389.db2.gz SAVAPENJFPXKIQ-RTBURBONSA-N 2 2 386.584 3.753 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@H](C[NH+]3CCCCCC3)C1)CC2 ZINC000475612967 867163406 /nfs/dbraw/zinc/16/34/06/867163406.db2.gz SAVAPENJFPXKIQ-RTBURBONSA-N 2 2 386.584 3.753 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000154818471 867615675 /nfs/dbraw/zinc/61/56/75/867615675.db2.gz OOPSWMMBRWXFIB-HNNXBMFYSA-N 2 2 376.932 3.596 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000523593843 867618282 /nfs/dbraw/zinc/61/82/82/867618282.db2.gz PJRWDXWGWJZWJN-NQIIRXRSSA-N 2 2 389.503 3.507 20 0 GHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000523593843 867618295 /nfs/dbraw/zinc/61/82/95/867618295.db2.gz PJRWDXWGWJZWJN-NQIIRXRSSA-N 2 2 389.503 3.507 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(F)c(F)c(F)c1 ZINC000155166654 867780828 /nfs/dbraw/zinc/78/08/28/867780828.db2.gz QVVJNQHLDUAMHR-HNNXBMFYSA-N 2 2 394.437 3.666 20 0 GHADLP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155189231 867794964 /nfs/dbraw/zinc/79/49/64/867794964.db2.gz OCLQPLHSBARVIV-GAJHUEQPSA-N 2 2 384.495 3.560 20 0 GHADLP O=C1CC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c2cc(F)ccc2N1 ZINC000479493826 867881193 /nfs/dbraw/zinc/88/11/93/867881193.db2.gz BZYUUTJZLFHFDH-VMBOVVBDSA-N 2 2 399.432 3.994 20 0 GHADLP Cc1c([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)nnn1-c1ccc(Cl)cc1 ZINC000156248163 868299421 /nfs/dbraw/zinc/29/94/21/868299421.db2.gz FBUNVPSQBPPDQQ-HNNXBMFYSA-N 2 2 396.926 3.944 20 0 GHADLP [NH3+]CCC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)Cc1ccccc1 ZINC000479793063 868532742 /nfs/dbraw/zinc/53/27/42/868532742.db2.gz OZBQUKCYORLQGU-HSZRJFAPSA-N 2 2 393.556 3.805 20 0 GHADLP [NH3+]CCC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)Cc1ccccc1 ZINC000479793063 868532749 /nfs/dbraw/zinc/53/27/49/868532749.db2.gz OZBQUKCYORLQGU-HSZRJFAPSA-N 2 2 393.556 3.805 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1C[NH+](C2CCCCC2)C1 ZINC000457667343 868603657 /nfs/dbraw/zinc/60/36/57/868603657.db2.gz LBHRPLSDNWYFCQ-UHFFFAOYSA-N 2 2 376.504 3.805 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3NC3CCCCC3)CC2)CC1 ZINC000479849583 868629518 /nfs/dbraw/zinc/62/95/18/868629518.db2.gz JMSNJGJQLRBFJQ-UHFFFAOYSA-N 2 2 398.595 3.720 20 0 GHADLP COCCC[NH+]1CCC([NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000190930639 882311238 /nfs/dbraw/zinc/31/12/38/882311238.db2.gz UBYBKBOPLLRAGJ-UHFFFAOYSA-N 2 2 381.767 3.755 20 0 GHADLP CC[N@@H+](Cc1c(C)nc2sc(C)nn12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539863641 869914929 /nfs/dbraw/zinc/91/49/29/869914929.db2.gz MPQQFJUAOIRTNT-IBGZPJMESA-N 2 2 383.565 3.752 20 0 GHADLP CC[N@H+](Cc1c(C)nc2sc(C)nn12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539863641 869914935 /nfs/dbraw/zinc/91/49/35/869914935.db2.gz MPQQFJUAOIRTNT-IBGZPJMESA-N 2 2 383.565 3.752 20 0 GHADLP CC[NH+](Cc1c(C)nc2sc(C)nn12)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539863641 869914940 /nfs/dbraw/zinc/91/49/40/869914940.db2.gz MPQQFJUAOIRTNT-IBGZPJMESA-N 2 2 383.565 3.752 20 0 GHADLP CC[NH+](Cc1c(C)nc2sc(C)nn12)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539863641 869914944 /nfs/dbraw/zinc/91/49/44/869914944.db2.gz MPQQFJUAOIRTNT-IBGZPJMESA-N 2 2 383.565 3.752 20 0 GHADLP O[C@H](C[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1)C[NH+]1CCCC1 ZINC000446751849 870296033 /nfs/dbraw/zinc/29/60/33/870296033.db2.gz MLQYSHWEZUQWMX-RHSMWYFYSA-N 2 2 387.749 3.600 20 0 GHADLP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1Cl ZINC000446753966 870300762 /nfs/dbraw/zinc/30/07/62/870300762.db2.gz VHCHNSBDOMZYJZ-XJKSGUPXSA-N 2 2 375.738 3.600 20 0 GHADLP CN(C(=O)c1csc(Cl)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248724019 870608886 /nfs/dbraw/zinc/60/88/86/870608886.db2.gz UGEPBMIAPUIABR-IAGOWNOFSA-N 2 2 383.989 3.811 20 0 GHADLP CN(C(=O)c1csc(Cl)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248724019 870608893 /nfs/dbraw/zinc/60/88/93/870608893.db2.gz UGEPBMIAPUIABR-IAGOWNOFSA-N 2 2 383.989 3.811 20 0 GHADLP CC(C)C1CCC([NH+]2CCN(C(=O)c3sccc3C[NH+](C)C)CC2)CC1 ZINC000446893421 870661051 /nfs/dbraw/zinc/66/10/51/870661051.db2.gz FUPQMPKCGYDPNN-UHFFFAOYSA-N 2 2 377.598 3.782 20 0 GHADLP C[NH+](C)CCCC1CC[NH+](Cn2ncc3c2cccc3Br)CC1 ZINC000766379436 870666363 /nfs/dbraw/zinc/66/63/63/870666363.db2.gz BWDYNCSSXBXAOZ-UHFFFAOYSA-N 2 2 379.346 3.810 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000746453351 870739900 /nfs/dbraw/zinc/73/99/00/870739900.db2.gz IIUUEQLPTBPHEM-ROUUACIJSA-N 2 2 381.524 3.607 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000746453351 870739910 /nfs/dbraw/zinc/73/99/10/870739910.db2.gz IIUUEQLPTBPHEM-ROUUACIJSA-N 2 2 381.524 3.607 20 0 GHADLP CN(C(=O)Cc1ccc(Cl)s1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000249363904 870814081 /nfs/dbraw/zinc/81/40/81/870814081.db2.gz VKXXJIXFHFHZIZ-QZTJIDSGSA-N 2 2 398.016 3.740 20 0 GHADLP CN(C(=O)Cc1ccc(Cl)s1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000249363904 870814094 /nfs/dbraw/zinc/81/40/94/870814094.db2.gz VKXXJIXFHFHZIZ-QZTJIDSGSA-N 2 2 398.016 3.740 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CN1C(=O)OC(C)(C)C ZINC001168870918 870923609 /nfs/dbraw/zinc/92/36/09/870923609.db2.gz GNJYNMHVKSYHEH-XMSQKQJNSA-N 2 2 399.579 3.907 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CN1C(=O)OC(C)(C)C ZINC001168870918 870923616 /nfs/dbraw/zinc/92/36/16/870923616.db2.gz GNJYNMHVKSYHEH-XMSQKQJNSA-N 2 2 399.579 3.907 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC000463126126 870937055 /nfs/dbraw/zinc/93/70/55/870937055.db2.gz YHSNEVCHMBLGFQ-ZQRMPTRQSA-N 3 2 387.612 3.766 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC000463126126 870937065 /nfs/dbraw/zinc/93/70/65/870937065.db2.gz YHSNEVCHMBLGFQ-ZQRMPTRQSA-N 3 2 387.612 3.766 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC000463126126 870937074 /nfs/dbraw/zinc/93/70/74/870937074.db2.gz YHSNEVCHMBLGFQ-ZQRMPTRQSA-N 3 2 387.612 3.766 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC000463126126 870937084 /nfs/dbraw/zinc/93/70/84/870937084.db2.gz YHSNEVCHMBLGFQ-ZQRMPTRQSA-N 3 2 387.612 3.766 20 0 GHADLP CSc1cc2c(cc1C[NH+]1CCC(Oc3cc[nH+]cc3C)CC1)OCCO2 ZINC000447084817 870967894 /nfs/dbraw/zinc/96/78/94/870967894.db2.gz GLXXXUUANQGMAM-UHFFFAOYSA-N 2 2 386.517 3.927 20 0 GHADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000461796067 870971859 /nfs/dbraw/zinc/97/18/59/870971859.db2.gz NDFDSRHKWBWQML-YYWHXJBOSA-N 2 2 383.540 3.531 20 0 GHADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000461796067 870971868 /nfs/dbraw/zinc/97/18/68/870971868.db2.gz NDFDSRHKWBWQML-YYWHXJBOSA-N 2 2 383.540 3.531 20 0 GHADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000429699110 871047229 /nfs/dbraw/zinc/04/72/29/871047229.db2.gz DQULGIAPXRWGEK-JOCHJYFZSA-N 2 2 381.520 3.843 20 0 GHADLP O=C(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Nc1cc(Cl)ccc1Cl ZINC000920956596 882471604 /nfs/dbraw/zinc/47/16/04/882471604.db2.gz OHQOFFWAHRAREI-UHFFFAOYSA-N 2 2 375.259 3.907 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004729 871090106 /nfs/dbraw/zinc/09/01/06/871090106.db2.gz ONWCNYYWIOQJBG-TZIWHRDSSA-N 2 2 392.465 3.988 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004729 871090123 /nfs/dbraw/zinc/09/01/23/871090123.db2.gz ONWCNYYWIOQJBG-TZIWHRDSSA-N 2 2 392.465 3.988 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004729 871090138 /nfs/dbraw/zinc/09/01/38/871090138.db2.gz ONWCNYYWIOQJBG-TZIWHRDSSA-N 2 2 392.465 3.988 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004729 871090145 /nfs/dbraw/zinc/09/01/45/871090145.db2.gz ONWCNYYWIOQJBG-TZIWHRDSSA-N 2 2 392.465 3.988 20 0 GHADLP C/C(=C/C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000069574426 871118724 /nfs/dbraw/zinc/11/87/24/871118724.db2.gz IPTSSWGZMFDZKG-NXVVXOECSA-N 2 2 397.485 3.593 20 0 GHADLP C/C(=C/C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000069574426 871118730 /nfs/dbraw/zinc/11/87/30/871118730.db2.gz IPTSSWGZMFDZKG-NXVVXOECSA-N 2 2 397.485 3.593 20 0 GHADLP Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)C2)c1 ZINC001169147865 871258420 /nfs/dbraw/zinc/25/84/20/871258420.db2.gz BTCVDEMZYCGGBH-YADHBBJMSA-N 2 2 388.515 3.631 20 0 GHADLP Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)C2)c1 ZINC001169147865 871258433 /nfs/dbraw/zinc/25/84/33/871258433.db2.gz BTCVDEMZYCGGBH-YADHBBJMSA-N 2 2 388.515 3.631 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccncc3OCC(F)F)CC2)cc1 ZINC000463248591 871262134 /nfs/dbraw/zinc/26/21/34/871262134.db2.gz RGNHGYKWZHZMNX-UHFFFAOYSA-N 2 2 393.453 3.661 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)ccc2[nH+]1 ZINC000525747617 871335683 /nfs/dbraw/zinc/33/56/83/871335683.db2.gz PTKCMDHRJNLWIA-KXBFYZLASA-N 2 2 383.521 3.909 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)ccc2[nH+]1 ZINC000525747617 871335702 /nfs/dbraw/zinc/33/57/02/871335702.db2.gz PTKCMDHRJNLWIA-KXBFYZLASA-N 2 2 383.521 3.909 20 0 GHADLP COC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC001193898528 871384701 /nfs/dbraw/zinc/38/47/01/871384701.db2.gz NVYZRXAZHDJNJP-JOCHJYFZSA-N 2 2 387.955 3.829 20 0 GHADLP CCN(CC)C(=O)C[C@H](C)[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001169475257 871549810 /nfs/dbraw/zinc/54/98/10/871549810.db2.gz MUCLDJFQRRNKBC-INIZCTEOSA-N 2 2 380.492 3.641 20 0 GHADLP c1ccc(COc2ccc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2)cc1 ZINC001194279217 871574680 /nfs/dbraw/zinc/57/46/80/871574680.db2.gz GLFGBJOSLZFLJT-HSZRJFAPSA-N 2 2 380.532 3.952 20 0 GHADLP c1ccc(COc2ccc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2)cc1 ZINC001194279217 871574690 /nfs/dbraw/zinc/57/46/90/871574690.db2.gz GLFGBJOSLZFLJT-HSZRJFAPSA-N 2 2 380.532 3.952 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(cccc2Cl)s1 ZINC000618401255 871577396 /nfs/dbraw/zinc/57/73/96/871577396.db2.gz RHOUKFSTNNLGLX-UHFFFAOYSA-N 2 2 379.957 3.653 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(cccc2Cl)s1 ZINC000618401255 871577422 /nfs/dbraw/zinc/57/74/22/871577422.db2.gz RHOUKFSTNNLGLX-UHFFFAOYSA-N 2 2 379.957 3.653 20 0 GHADLP Cc1cc(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c2[nH+]ccn2c1 ZINC001169515318 871584476 /nfs/dbraw/zinc/58/44/76/871584476.db2.gz AOSWHMKNFKBGMA-QUCCMNQESA-N 2 2 378.476 3.514 20 0 GHADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000447537099 871805016 /nfs/dbraw/zinc/80/50/16/871805016.db2.gz SNAAYHHQWGGWFV-ZACQAIPSSA-N 2 2 386.492 3.526 20 0 GHADLP C[C@@H](C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H](C)CO)c1ccccc1 ZINC001194754913 871940134 /nfs/dbraw/zinc/94/01/34/871940134.db2.gz KDSPLPHYRAZUKF-SFTDATJTSA-N 2 2 382.548 3.505 20 0 GHADLP C[C@@H](C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H](C)CO)c1ccccc1 ZINC001194754913 871940146 /nfs/dbraw/zinc/94/01/46/871940146.db2.gz KDSPLPHYRAZUKF-SFTDATJTSA-N 2 2 382.548 3.505 20 0 GHADLP C[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000447608154 871980443 /nfs/dbraw/zinc/98/04/43/871980443.db2.gz UQXLMEVYAGNQKE-GDBMZVCRSA-N 2 2 389.421 3.791 20 0 GHADLP CCc1ccc([C@@H]2CCCCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000093559056 872268980 /nfs/dbraw/zinc/26/89/80/872268980.db2.gz IGJKXCXSVRNPNP-FQEVSTJZSA-N 2 2 383.540 3.501 20 0 GHADLP CCc1ccc([C@@H]2CCCCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000093559056 872268992 /nfs/dbraw/zinc/26/89/92/872268992.db2.gz IGJKXCXSVRNPNP-FQEVSTJZSA-N 2 2 383.540 3.501 20 0 GHADLP CC[N@@H+](Cc1cccc2c1OCCCO2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564605 872273049 /nfs/dbraw/zinc/27/30/49/872273049.db2.gz ODSNNUFONDXWJF-UHFFFAOYSA-N 2 2 381.520 3.981 20 0 GHADLP CC[N@H+](Cc1cccc2c1OCCCO2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564605 872273069 /nfs/dbraw/zinc/27/30/69/872273069.db2.gz ODSNNUFONDXWJF-UHFFFAOYSA-N 2 2 381.520 3.981 20 0 GHADLP CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000540910367 872466622 /nfs/dbraw/zinc/46/66/22/872466622.db2.gz WAMSGXHBVSNRQC-NQIIRXRSSA-N 2 2 389.503 3.565 20 0 GHADLP CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000540910367 872466628 /nfs/dbraw/zinc/46/66/28/872466628.db2.gz WAMSGXHBVSNRQC-NQIIRXRSSA-N 2 2 389.503 3.565 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000552343856 872502810 /nfs/dbraw/zinc/50/28/10/872502810.db2.gz PUFBWAUNPRKFNS-FQEVSTJZSA-N 2 2 395.547 3.833 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000552343856 872502815 /nfs/dbraw/zinc/50/28/15/872502815.db2.gz PUFBWAUNPRKFNS-FQEVSTJZSA-N 2 2 395.547 3.833 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000552343856 872502825 /nfs/dbraw/zinc/50/28/25/872502825.db2.gz PUFBWAUNPRKFNS-FQEVSTJZSA-N 2 2 395.547 3.833 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000552343856 872502838 /nfs/dbraw/zinc/50/28/38/872502838.db2.gz PUFBWAUNPRKFNS-FQEVSTJZSA-N 2 2 395.547 3.833 20 0 GHADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001170444970 882665364 /nfs/dbraw/zinc/66/53/64/882665364.db2.gz UVZGTLWGYDVKCT-MJGOQNOKSA-N 2 2 398.551 3.850 20 0 GHADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001170444970 882665371 /nfs/dbraw/zinc/66/53/71/882665371.db2.gz UVZGTLWGYDVKCT-MJGOQNOKSA-N 2 2 398.551 3.850 20 0 GHADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001170444970 882665382 /nfs/dbraw/zinc/66/53/82/882665382.db2.gz UVZGTLWGYDVKCT-MJGOQNOKSA-N 2 2 398.551 3.850 20 0 GHADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001170444970 882665391 /nfs/dbraw/zinc/66/53/91/882665391.db2.gz UVZGTLWGYDVKCT-MJGOQNOKSA-N 2 2 398.551 3.850 20 0 GHADLP C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000768104354 873083099 /nfs/dbraw/zinc/08/30/99/873083099.db2.gz CFWDFBQFXLRNQQ-OKFGHLOFSA-N 2 2 396.362 3.681 20 0 GHADLP C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000768104354 873083115 /nfs/dbraw/zinc/08/31/15/873083115.db2.gz CFWDFBQFXLRNQQ-OKFGHLOFSA-N 2 2 396.362 3.681 20 0 GHADLP Cc1nn(C(C)C)cc1C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000464078776 873183935 /nfs/dbraw/zinc/18/39/35/873183935.db2.gz WAZQBFQVCBHBKS-UHFFFAOYSA-N 2 2 389.975 3.728 20 0 GHADLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC001196935064 873458172 /nfs/dbraw/zinc/45/81/72/873458172.db2.gz FSVDEPJQXSCHAW-JOCHJYFZSA-N 2 2 383.580 3.764 20 0 GHADLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC001196935064 873458178 /nfs/dbraw/zinc/45/81/78/873458178.db2.gz FSVDEPJQXSCHAW-JOCHJYFZSA-N 2 2 383.580 3.764 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(-c2ccccc2)n(C)n1 ZINC000527844351 873667914 /nfs/dbraw/zinc/66/79/14/873667914.db2.gz AWBLSNVDCNHIJN-IBGZPJMESA-N 2 2 390.531 3.770 20 0 GHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000541537837 873790411 /nfs/dbraw/zinc/79/04/11/873790411.db2.gz RUFVPAZOGLWBOA-UHFFFAOYSA-N 2 2 380.517 3.670 20 0 GHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000541537837 873790420 /nfs/dbraw/zinc/79/04/20/873790420.db2.gz RUFVPAZOGLWBOA-UHFFFAOYSA-N 2 2 380.517 3.670 20 0 GHADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000541558537 873829365 /nfs/dbraw/zinc/82/93/65/873829365.db2.gz CVGCOOOJGBQKOL-PBHICJAKSA-N 2 2 383.939 3.899 20 0 GHADLP C[C@H](CCc1ccccc1)NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198036199 874192222 /nfs/dbraw/zinc/19/22/22/874192222.db2.gz IWPFOROIBWNVEU-HXUWFJFHSA-N 2 2 381.564 3.821 20 0 GHADLP C[C@H](CCc1ccccc1)NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198036199 874192225 /nfs/dbraw/zinc/19/22/25/874192225.db2.gz IWPFOROIBWNVEU-HXUWFJFHSA-N 2 2 381.564 3.821 20 0 GHADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449023107 874390291 /nfs/dbraw/zinc/39/02/91/874390291.db2.gz NKVIQBPVRXAKMV-QGZVFWFLSA-N 2 2 388.556 3.551 20 0 GHADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449023107 874390307 /nfs/dbraw/zinc/39/03/07/874390307.db2.gz NKVIQBPVRXAKMV-QGZVFWFLSA-N 2 2 388.556 3.551 20 0 GHADLP CC[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804777 874517047 /nfs/dbraw/zinc/51/70/47/874517047.db2.gz IMVUNARMKCESNL-QKNQBKEWSA-N 2 2 386.584 3.561 20 0 GHADLP CC[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804777 874517055 /nfs/dbraw/zinc/51/70/55/874517055.db2.gz IMVUNARMKCESNL-QKNQBKEWSA-N 2 2 386.584 3.561 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000449194220 874567511 /nfs/dbraw/zinc/56/75/11/874567511.db2.gz UGWFUKGZWOZSAL-LEWJYISDSA-N 3 2 379.633 3.633 20 0 GHADLP COc1ccc(-n2cc(C[NH2+]C3CC[NH+]([C@H](C)c4ccncc4)CC3)cn2)cc1 ZINC000449201664 874600087 /nfs/dbraw/zinc/60/00/87/874600087.db2.gz DFEOIQZMXILMKV-GOSISDBHSA-N 2 2 391.519 3.591 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000770372778 874613141 /nfs/dbraw/zinc/61/31/41/874613141.db2.gz GGKQKVWUFPJLSC-PKOBYXMFSA-N 2 2 386.540 3.877 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000770372778 874613148 /nfs/dbraw/zinc/61/31/48/874613148.db2.gz GGKQKVWUFPJLSC-PKOBYXMFSA-N 2 2 386.540 3.877 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000770372778 874613153 /nfs/dbraw/zinc/61/31/53/874613153.db2.gz GGKQKVWUFPJLSC-PKOBYXMFSA-N 2 2 386.540 3.877 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000770372778 874613161 /nfs/dbraw/zinc/61/31/61/874613161.db2.gz GGKQKVWUFPJLSC-PKOBYXMFSA-N 2 2 386.540 3.877 20 0 GHADLP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475730002 882874677 /nfs/dbraw/zinc/87/46/77/882874677.db2.gz PFKQIRQWFNLINM-ZJSXRUAMSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475730002 882874691 /nfs/dbraw/zinc/87/46/91/882874691.db2.gz PFKQIRQWFNLINM-ZJSXRUAMSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475730002 882874705 /nfs/dbraw/zinc/87/47/05/882874705.db2.gz PFKQIRQWFNLINM-ZJSXRUAMSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475730002 882874723 /nfs/dbraw/zinc/87/47/23/882874723.db2.gz PFKQIRQWFNLINM-ZJSXRUAMSA-N 2 2 383.580 3.622 20 0 GHADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC001199743648 875161002 /nfs/dbraw/zinc/16/10/02/875161002.db2.gz ZKKWLHKVCPHUGP-LBPRGKRZSA-N 2 2 377.273 3.872 20 0 GHADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC001199743648 875161006 /nfs/dbraw/zinc/16/10/06/875161006.db2.gz ZKKWLHKVCPHUGP-LBPRGKRZSA-N 2 2 377.273 3.872 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)ccc2[nH+]1 ZINC001199768331 875173004 /nfs/dbraw/zinc/17/30/04/875173004.db2.gz YNBQSQNYWOCDPS-QFBILLFUSA-N 2 2 377.492 3.532 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)ccc2[nH+]1 ZINC001199768331 875173008 /nfs/dbraw/zinc/17/30/08/875173008.db2.gz YNBQSQNYWOCDPS-QFBILLFUSA-N 2 2 377.492 3.532 20 0 GHADLP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)C1 ZINC000465180418 875225581 /nfs/dbraw/zinc/22/55/81/875225581.db2.gz AGAYHWGPXAFACU-SFHVURJKSA-N 2 2 390.487 3.845 20 0 GHADLP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)C1 ZINC000465180418 875225592 /nfs/dbraw/zinc/22/55/92/875225592.db2.gz AGAYHWGPXAFACU-SFHVURJKSA-N 2 2 390.487 3.845 20 0 GHADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccn3)C[C@@H]1C)CCO2 ZINC000178402920 882911878 /nfs/dbraw/zinc/91/18/78/882911878.db2.gz LUBRILJATGEEFS-BULFRSBZSA-N 2 2 381.520 3.804 20 0 GHADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccn3)C[C@@H]1C)CCO2 ZINC000178402920 882911903 /nfs/dbraw/zinc/91/19/03/882911903.db2.gz LUBRILJATGEEFS-BULFRSBZSA-N 2 2 381.520 3.804 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NC[C@H](O)c3c(Cl)cccc3Cl)c2)C1 ZINC001170032873 875477442 /nfs/dbraw/zinc/47/74/42/875477442.db2.gz QBSBUAWNFMMMQG-KDOFPFPSSA-N 2 2 380.319 3.672 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NC[C@H](O)c3c(Cl)cccc3Cl)c2)C1 ZINC001170032873 875477445 /nfs/dbraw/zinc/47/74/45/875477445.db2.gz QBSBUAWNFMMMQG-KDOFPFPSSA-N 2 2 380.319 3.672 20 0 GHADLP CCC(CC)Oc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000449822904 875482902 /nfs/dbraw/zinc/48/29/02/875482902.db2.gz YEWNOOLJRMVDRO-UHFFFAOYSA-N 2 2 387.568 3.542 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c(C)c1 ZINC000542450302 875594291 /nfs/dbraw/zinc/59/42/91/875594291.db2.gz GOKOUYPMDZTVMM-IFMALSPDSA-N 2 2 397.567 3.805 20 0 GHADLP Cc1nc(NCc2cccc(C(=O)N3CCCC[C@H]3[C@H](C)C[NH+](C)C)c2)cc[nH+]1 ZINC001149041207 875660686 /nfs/dbraw/zinc/66/06/86/875660686.db2.gz CQPVQDLHFUMSCF-UTKZUKDTSA-N 2 2 395.551 3.590 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc4ccc(F)c(F)c4n3)[nH+]c2)C1 ZINC001201541833 875737060 /nfs/dbraw/zinc/73/70/60/875737060.db2.gz JDVYSRBXIHXDLE-KRWDZBQOSA-N 2 2 383.446 3.660 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000172749836 875898311 /nfs/dbraw/zinc/89/83/11/875898311.db2.gz VKQVZKUIANUNKE-WOJBJXKFSA-N 2 2 389.971 3.510 20 0 GHADLP COC[C@]1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)COc2ccccc2C1 ZINC000529669202 876492149 /nfs/dbraw/zinc/49/21/49/876492149.db2.gz RCFWVSCROJHOLW-UPVQGACJSA-N 2 2 392.543 3.794 20 0 GHADLP COC[C@]1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)COc2ccccc2C1 ZINC000529669202 876492154 /nfs/dbraw/zinc/49/21/54/876492154.db2.gz RCFWVSCROJHOLW-UPVQGACJSA-N 2 2 392.543 3.794 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc2c(c1)CCCO2 ZINC000850427977 876911550 /nfs/dbraw/zinc/91/15/50/876911550.db2.gz ADEOZMWFYAEWDF-LJQANCHMSA-N 2 2 396.531 3.573 20 0 GHADLP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000850453569 876937340 /nfs/dbraw/zinc/93/73/40/876937340.db2.gz OAOQQWDHCMDRMS-QGZVFWFLSA-N 2 2 375.557 3.997 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000850512547 876983397 /nfs/dbraw/zinc/98/33/97/876983397.db2.gz GZSVEZBKONAVGI-RDJZCZTQSA-N 2 2 387.911 3.522 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000850512547 876983403 /nfs/dbraw/zinc/98/34/03/876983403.db2.gz GZSVEZBKONAVGI-RDJZCZTQSA-N 2 2 387.911 3.522 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000786920765 877030406 /nfs/dbraw/zinc/03/04/06/877030406.db2.gz OMXUOCDZHXXMJE-YADARESESA-N 2 2 392.547 3.922 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000786920765 877030418 /nfs/dbraw/zinc/03/04/18/877030418.db2.gz OMXUOCDZHXXMJE-YADARESESA-N 2 2 392.547 3.922 20 0 GHADLP CC(C)[C@H](C[NH2+][C@@H](C)c1ncc(C(F)(F)F)cc1Cl)N1CC[NH+](C)CC1 ZINC000924630328 877261351 /nfs/dbraw/zinc/26/13/51/877261351.db2.gz BFRRKCACKZVZCR-BBRMVZONSA-N 2 2 392.897 3.676 20 0 GHADLP CC[N@H+](CCCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[C@H](C)Cc1ccc(O)cc1 ZINC001183051781 912222619 /nfs/dbraw/zinc/22/26/19/912222619.db2.gz YOKNKQSCJZGZHD-GOSISDBHSA-N 2 2 398.551 3.555 20 0 GHADLP CC[N@@H+](CCCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[C@H](C)Cc1ccc(O)cc1 ZINC001183051781 912222640 /nfs/dbraw/zinc/22/26/40/912222640.db2.gz YOKNKQSCJZGZHD-GOSISDBHSA-N 2 2 398.551 3.555 20 0 GHADLP CC[N@H+](CCCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[C@H](C)Cc1ccc(O)cc1 ZINC001183051781 912222658 /nfs/dbraw/zinc/22/26/58/912222658.db2.gz YOKNKQSCJZGZHD-GOSISDBHSA-N 2 2 398.551 3.555 20 0 GHADLP CC[N@@H+](CCCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[C@H](C)Cc1ccc(O)cc1 ZINC001183051781 912222682 /nfs/dbraw/zinc/22/26/82/912222682.db2.gz YOKNKQSCJZGZHD-GOSISDBHSA-N 2 2 398.551 3.555 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2ccc(Cl)c(F)c2)([NH+]2CCCCC2)CC1 ZINC000175157212 877499030 /nfs/dbraw/zinc/49/90/30/877499030.db2.gz XNYHRWRNAPHIMU-UHFFFAOYSA-N 2 2 382.911 3.551 20 0 GHADLP Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000080660425 877539475 /nfs/dbraw/zinc/53/94/75/877539475.db2.gz VLSIMRGIMUUMIW-IBGZPJMESA-N 2 2 388.600 3.549 20 0 GHADLP Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000080660425 877539483 /nfs/dbraw/zinc/53/94/83/877539483.db2.gz VLSIMRGIMUUMIW-IBGZPJMESA-N 2 2 388.600 3.549 20 0 GHADLP c1nn([C@H]2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)c2ccccc12 ZINC000551701416 877669479 /nfs/dbraw/zinc/66/94/79/877669479.db2.gz AIQSJHSIZGUSDD-GOTSBHOMSA-N 2 2 390.531 3.574 20 0 GHADLP c1nn([C@H]2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)c2ccccc12 ZINC000551701416 877669484 /nfs/dbraw/zinc/66/94/84/877669484.db2.gz AIQSJHSIZGUSDD-GOTSBHOMSA-N 2 2 390.531 3.574 20 0 GHADLP c1nn([C@H]2CC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)c2ccccc12 ZINC000551701416 877669487 /nfs/dbraw/zinc/66/94/87/877669487.db2.gz AIQSJHSIZGUSDD-GOTSBHOMSA-N 2 2 390.531 3.574 20 0 GHADLP c1nn([C@H]2CC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)c2ccccc12 ZINC000551701416 877669493 /nfs/dbraw/zinc/66/94/93/877669493.db2.gz AIQSJHSIZGUSDD-GOTSBHOMSA-N 2 2 390.531 3.574 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000787996240 877765451 /nfs/dbraw/zinc/76/54/51/877765451.db2.gz VLCCUBKCADYJPT-JOCHJYFZSA-N 2 2 382.508 3.848 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000787996240 877765459 /nfs/dbraw/zinc/76/54/59/877765459.db2.gz VLCCUBKCADYJPT-JOCHJYFZSA-N 2 2 382.508 3.848 20 0 GHADLP O=C1[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000530438758 877821246 /nfs/dbraw/zinc/82/12/46/877821246.db2.gz YKTSXTXEHQCZOO-QGZVFWFLSA-N 2 2 382.335 3.563 20 0 GHADLP CC[N@H+](CC[C@@H]1COC(C)(C)O1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000851849413 877941230 /nfs/dbraw/zinc/94/12/30/877941230.db2.gz UJUBJFKQFNPMNI-LJQANCHMSA-N 2 2 390.572 3.741 20 0 GHADLP CC[N@@H+](CC[C@@H]1COC(C)(C)O1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000851849413 877941244 /nfs/dbraw/zinc/94/12/44/877941244.db2.gz UJUBJFKQFNPMNI-LJQANCHMSA-N 2 2 390.572 3.741 20 0 GHADLP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c1 ZINC000788244274 877945836 /nfs/dbraw/zinc/94/58/36/877945836.db2.gz OVOZGQRWEBPVCP-LJQANCHMSA-N 2 2 380.536 3.806 20 0 GHADLP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c1 ZINC000788244274 877945844 /nfs/dbraw/zinc/94/58/44/877945844.db2.gz OVOZGQRWEBPVCP-LJQANCHMSA-N 2 2 380.536 3.806 20 0 GHADLP C[NH+]1CCN(c2ccc([NH2+]CC[C@@H]3CCc4ccc5c(c43)CCO5)cc2)CC1 ZINC001170086067 878146670 /nfs/dbraw/zinc/14/66/70/878146670.db2.gz YJEFDVGHIINZGT-IBGZPJMESA-N 2 2 377.532 3.905 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@@H](C)c3ccccc3Cl)C2)CC1 ZINC000451534773 878154656 /nfs/dbraw/zinc/15/46/56/878154656.db2.gz NPRIYDWWISSQEJ-HKUYNNGSSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@@H](C)c3ccccc3Cl)C2)CC1 ZINC000451534773 878154660 /nfs/dbraw/zinc/15/46/60/878154660.db2.gz NPRIYDWWISSQEJ-HKUYNNGSSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@@H](C)c3ccccc3Cl)C2)CC1 ZINC000451534773 878154669 /nfs/dbraw/zinc/15/46/69/878154669.db2.gz NPRIYDWWISSQEJ-HKUYNNGSSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@@H](C)c3ccccc3Cl)C2)CC1 ZINC000451534773 878154677 /nfs/dbraw/zinc/15/46/77/878154677.db2.gz NPRIYDWWISSQEJ-HKUYNNGSSA-N 2 2 377.960 3.667 20 0 GHADLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245588966 878159374 /nfs/dbraw/zinc/15/93/74/878159374.db2.gz KHZPXFSRKGYTTP-FHLIZLRMSA-N 2 2 392.425 3.590 20 0 GHADLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245588966 878159378 /nfs/dbraw/zinc/15/93/78/878159378.db2.gz KHZPXFSRKGYTTP-FHLIZLRMSA-N 2 2 392.425 3.590 20 0 GHADLP Cc1cccn2cc(CCNC(=O)NC3CC[NH+](CC4CCCCC4)CC3)[nH+]c12 ZINC000746753782 878225628 /nfs/dbraw/zinc/22/56/28/878225628.db2.gz HQIVGGWESJLISN-UHFFFAOYSA-N 2 2 397.567 3.529 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000245710815 878449404 /nfs/dbraw/zinc/44/94/04/878449404.db2.gz NLENQWWDMICERP-MTNREXPMSA-N 2 2 389.559 3.725 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000245710815 878449407 /nfs/dbraw/zinc/44/94/07/878449407.db2.gz NLENQWWDMICERP-MTNREXPMSA-N 2 2 389.559 3.725 20 0 GHADLP Cc1cc(C)n2c(C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cnc2n1 ZINC000245772422 878573565 /nfs/dbraw/zinc/57/35/65/878573565.db2.gz SBWLLCIJQTVMKP-GHTZIAJQSA-N 2 2 377.536 3.831 20 0 GHADLP Cc1cc(C)n2c(C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cnc2n1 ZINC000245772422 878573573 /nfs/dbraw/zinc/57/35/73/878573573.db2.gz SBWLLCIJQTVMKP-GHTZIAJQSA-N 2 2 377.536 3.831 20 0 GHADLP Cc1cc(C)n2c(C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cnc2n1 ZINC000245772422 878573582 /nfs/dbraw/zinc/57/35/82/878573582.db2.gz SBWLLCIJQTVMKP-GHTZIAJQSA-N 2 2 377.536 3.831 20 0 GHADLP Cc1cc(C)n2c(C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cnc2n1 ZINC000245772422 878573592 /nfs/dbraw/zinc/57/35/92/878573592.db2.gz SBWLLCIJQTVMKP-GHTZIAJQSA-N 2 2 377.536 3.831 20 0 GHADLP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC001183279834 912379428 /nfs/dbraw/zinc/37/94/28/912379428.db2.gz FAVAFLGBSQRHJP-IBGZPJMESA-N 2 2 397.485 3.911 20 0 GHADLP CC(C)n1ncc2cc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)c(Cl)nc21 ZINC000853093556 878810056 /nfs/dbraw/zinc/81/00/56/878810056.db2.gz MTSOHAXDOSSUKJ-INIZCTEOSA-N 2 2 375.948 3.877 20 0 GHADLP CC(C)n1ncc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)c(Cl)nc21 ZINC000853093556 878810068 /nfs/dbraw/zinc/81/00/68/878810068.db2.gz MTSOHAXDOSSUKJ-INIZCTEOSA-N 2 2 375.948 3.877 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCCC1)c1ccccc1 ZINC000530963450 878812100 /nfs/dbraw/zinc/81/21/00/878812100.db2.gz RGAKCGXAQNBJQP-GOSISDBHSA-N 2 2 395.551 3.962 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCCC1)c1ccccc1 ZINC000530963450 878812116 /nfs/dbraw/zinc/81/21/16/878812116.db2.gz RGAKCGXAQNBJQP-GOSISDBHSA-N 2 2 395.551 3.962 20 0 GHADLP Cc1ccc2c(C)cc(N3CCC(OCC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)[nH+]c2c1 ZINC000460946062 878836124 /nfs/dbraw/zinc/83/61/24/878836124.db2.gz CTRHHNZRYJVYAT-PMACEKPBSA-N 2 2 397.563 3.946 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cc12 ZINC000789356175 878845408 /nfs/dbraw/zinc/84/54/08/878845408.db2.gz GUBJEIAZGULINW-UHFFFAOYSA-N 2 2 398.942 3.843 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC[C@H]21 ZINC000246107701 878988287 /nfs/dbraw/zinc/98/82/87/878988287.db2.gz JPIQGPCHAMYSML-NZQKXSOJSA-N 2 2 387.531 3.850 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC[C@H]21 ZINC000246107701 878988307 /nfs/dbraw/zinc/98/83/07/878988307.db2.gz JPIQGPCHAMYSML-NZQKXSOJSA-N 2 2 387.531 3.850 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC[C@H]21 ZINC000246107701 878988323 /nfs/dbraw/zinc/98/83/23/878988323.db2.gz JPIQGPCHAMYSML-NZQKXSOJSA-N 2 2 387.531 3.850 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC[C@H]21 ZINC000246107701 878988338 /nfs/dbraw/zinc/98/83/38/878988338.db2.gz JPIQGPCHAMYSML-NZQKXSOJSA-N 2 2 387.531 3.850 20 0 GHADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000311965484 879144822 /nfs/dbraw/zinc/14/48/22/879144822.db2.gz OBVQUAJZFMHPQK-JTQLQIEISA-N 2 2 394.151 3.508 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H]3CC[NH+](C(C)(C)C)C3)n2)C1 ZINC000853811979 879297859 /nfs/dbraw/zinc/29/78/59/879297859.db2.gz CNYAWRZSMBOFQW-JKSUJKDBSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H]3CC[NH+](C(C)(C)C)C3)n2)C1 ZINC000853811979 879297879 /nfs/dbraw/zinc/29/78/79/879297879.db2.gz CNYAWRZSMBOFQW-JKSUJKDBSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@H]3CC[N@@H+](C(C)(C)C)C3)n2)C1 ZINC000853811979 879297900 /nfs/dbraw/zinc/29/79/00/879297900.db2.gz CNYAWRZSMBOFQW-JKSUJKDBSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@H]3CC[N@H+](C(C)(C)C)C3)n2)C1 ZINC000853811979 879297920 /nfs/dbraw/zinc/29/79/20/879297920.db2.gz CNYAWRZSMBOFQW-JKSUJKDBSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2)C1 ZINC000531202401 879318514 /nfs/dbraw/zinc/31/85/14/879318514.db2.gz FXHNSRNHFSRVFM-SFHVURJKSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2)C1 ZINC000531202401 879318531 /nfs/dbraw/zinc/31/85/31/879318531.db2.gz FXHNSRNHFSRVFM-SFHVURJKSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2)C1 ZINC000531202401 879318550 /nfs/dbraw/zinc/31/85/50/879318550.db2.gz FXHNSRNHFSRVFM-SFHVURJKSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2)C1 ZINC000531202401 879318570 /nfs/dbraw/zinc/31/85/70/879318570.db2.gz FXHNSRNHFSRVFM-SFHVURJKSA-N 2 2 395.551 3.731 20 0 GHADLP CCc1ncsc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538354730 879341265 /nfs/dbraw/zinc/34/12/65/879341265.db2.gz WCCNMKWEXCRFME-ZWKOTPCHSA-N 2 2 393.601 3.506 20 0 GHADLP CCc1ncsc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538354730 879341284 /nfs/dbraw/zinc/34/12/84/879341284.db2.gz WCCNMKWEXCRFME-ZWKOTPCHSA-N 2 2 393.601 3.506 20 0 GHADLP COc1cc(OC)cc(OCCC[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000542466523 879443417 /nfs/dbraw/zinc/44/34/17/879443417.db2.gz LEFRKEOAZCZLPM-UHFFFAOYSA-N 2 2 387.505 3.852 20 0 GHADLP COc1cc(OC)cc(OCCC[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000542466523 879443427 /nfs/dbraw/zinc/44/34/27/879443427.db2.gz LEFRKEOAZCZLPM-UHFFFAOYSA-N 2 2 387.505 3.852 20 0 GHADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000617252775 879533719 /nfs/dbraw/zinc/53/37/19/879533719.db2.gz VAMQNVBQTHBAKF-UHFFFAOYSA-N 2 2 380.536 3.660 20 0 GHADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000617252775 879533725 /nfs/dbraw/zinc/53/37/25/879533725.db2.gz VAMQNVBQTHBAKF-UHFFFAOYSA-N 2 2 380.536 3.660 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1Cn1cccn1 ZINC000854221855 879639065 /nfs/dbraw/zinc/63/90/65/879639065.db2.gz BIMHZRFLNHWYGQ-CDNPAEQRSA-N 2 2 390.531 3.736 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)C1 ZINC000069160392 879638954 /nfs/dbraw/zinc/63/89/54/879638954.db2.gz IMDHYMKSDVTUMH-KRWDZBQOSA-N 2 2 378.923 3.854 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)C1 ZINC000069160392 879638960 /nfs/dbraw/zinc/63/89/60/879638960.db2.gz IMDHYMKSDVTUMH-KRWDZBQOSA-N 2 2 378.923 3.854 20 0 GHADLP CC(C)c1ccc([C@@H]2CCC[N@@H+]2CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790372260 879677133 /nfs/dbraw/zinc/67/71/33/879677133.db2.gz NCZROYGPVCNINT-GMAHTHKFSA-N 2 2 383.536 3.821 20 0 GHADLP CC(C)c1ccc([C@@H]2CCC[N@H+]2CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790372260 879677141 /nfs/dbraw/zinc/67/71/41/879677141.db2.gz NCZROYGPVCNINT-GMAHTHKFSA-N 2 2 383.536 3.821 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001183379417 912494075 /nfs/dbraw/zinc/49/40/75/912494075.db2.gz MVYFIGOJLUBDKU-JLMWRMLUSA-N 2 2 377.573 3.630 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001183379417 912494084 /nfs/dbraw/zinc/49/40/84/912494084.db2.gz MVYFIGOJLUBDKU-JLMWRMLUSA-N 2 2 377.573 3.630 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000246854654 879828193 /nfs/dbraw/zinc/82/81/93/879828193.db2.gz DQKGZXVHOVIODH-AUSIDOKSSA-N 2 2 379.548 3.838 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000246854654 879828206 /nfs/dbraw/zinc/82/82/06/879828206.db2.gz DQKGZXVHOVIODH-AUSIDOKSSA-N 2 2 379.548 3.838 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1Br ZINC000139984637 879853330 /nfs/dbraw/zinc/85/33/30/879853330.db2.gz GQHOZLRUEGVIRZ-HDMKZQKVSA-N 2 2 394.357 3.501 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1Br ZINC000139984637 879853349 /nfs/dbraw/zinc/85/33/49/879853349.db2.gz GQHOZLRUEGVIRZ-HDMKZQKVSA-N 2 2 394.357 3.501 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Br ZINC000139984637 879853360 /nfs/dbraw/zinc/85/33/60/879853360.db2.gz GQHOZLRUEGVIRZ-HDMKZQKVSA-N 2 2 394.357 3.501 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1Br ZINC000139984637 879853375 /nfs/dbraw/zinc/85/33/75/879853375.db2.gz GQHOZLRUEGVIRZ-HDMKZQKVSA-N 2 2 394.357 3.501 20 0 GHADLP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000531438608 879855596 /nfs/dbraw/zinc/85/55/96/879855596.db2.gz YDCPXXMLCJKVAR-GOSISDBHSA-N 2 2 375.900 3.885 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000246965168 879866424 /nfs/dbraw/zinc/86/64/24/879866424.db2.gz JBRJZYIPMOCSJB-OXQOHEQNSA-N 2 2 393.453 3.979 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000246965168 879866430 /nfs/dbraw/zinc/86/64/30/879866430.db2.gz JBRJZYIPMOCSJB-OXQOHEQNSA-N 2 2 393.453 3.979 20 0 GHADLP C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182962101 880043734 /nfs/dbraw/zinc/04/37/34/880043734.db2.gz JDYIBRWHWQDQKZ-INIZCTEOSA-N 2 2 390.553 3.684 20 0 GHADLP CCc1ccc2c(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc(=O)oc2c1 ZINC000791623455 880549607 /nfs/dbraw/zinc/54/96/07/880549607.db2.gz WFDKCSWEPJBKSO-SZPZYZBQSA-N 2 2 388.511 3.919 20 0 GHADLP CCc1ccc2c(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc(=O)oc2c1 ZINC000791623455 880549613 /nfs/dbraw/zinc/54/96/13/880549613.db2.gz WFDKCSWEPJBKSO-SZPZYZBQSA-N 2 2 388.511 3.919 20 0 GHADLP CCc1ccc2c(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cc(=O)oc2c1 ZINC000791623455 880549617 /nfs/dbraw/zinc/54/96/17/880549617.db2.gz WFDKCSWEPJBKSO-SZPZYZBQSA-N 2 2 388.511 3.919 20 0 GHADLP CCc1ccc2c(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cc(=O)oc2c1 ZINC000791623455 880549626 /nfs/dbraw/zinc/54/96/26/880549626.db2.gz WFDKCSWEPJBKSO-SZPZYZBQSA-N 2 2 388.511 3.919 20 0 GHADLP CN(c1ccccc1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1CC[NH+](C)CC1 ZINC000531848287 880600911 /nfs/dbraw/zinc/60/09/11/880600911.db2.gz HRAHKRWHRYXQOT-UHFFFAOYSA-N 3 2 389.547 3.693 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](c3cccnc3)C(C)C)CC2)cc1 ZINC000453324030 880795183 /nfs/dbraw/zinc/79/51/83/880795183.db2.gz KMDORBPQTMDOOB-QHCPKHFHSA-N 2 2 380.536 3.991 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000531962781 880827124 /nfs/dbraw/zinc/82/71/24/880827124.db2.gz MVYAPEINNPWSLO-JKSUJKDBSA-N 2 2 381.948 3.776 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cncc(Br)c2)cc1F ZINC000186605857 880932082 /nfs/dbraw/zinc/93/20/82/880932082.db2.gz YYZIBWHZMCOYPF-UHFFFAOYSA-N 2 2 375.245 3.767 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2Br)CC[N@@H+]1C ZINC000186760552 880979195 /nfs/dbraw/zinc/97/91/95/880979195.db2.gz WNXNPOPNDZSDTM-MFKMUULPSA-N 2 2 376.136 3.784 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2Br)CC[N@H+]1C ZINC000186760552 880979200 /nfs/dbraw/zinc/97/92/00/880979200.db2.gz WNXNPOPNDZSDTM-MFKMUULPSA-N 2 2 376.136 3.784 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1C ZINC000114024483 881057359 /nfs/dbraw/zinc/05/73/59/881057359.db2.gz BDWMEFLJJDZPPD-PKOBYXMFSA-N 2 2 388.556 3.503 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1C ZINC000114024483 881057377 /nfs/dbraw/zinc/05/73/77/881057377.db2.gz BDWMEFLJJDZPPD-PKOBYXMFSA-N 2 2 388.556 3.503 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C2 ZINC000476803867 883160665 /nfs/dbraw/zinc/16/06/65/883160665.db2.gz ZYFWSOUGVOPYTC-UGKGYDQZSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C2 ZINC000476803867 883160677 /nfs/dbraw/zinc/16/06/77/883160677.db2.gz ZYFWSOUGVOPYTC-UGKGYDQZSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)CC2 ZINC000476803867 883160685 /nfs/dbraw/zinc/16/06/85/883160685.db2.gz ZYFWSOUGVOPYTC-UGKGYDQZSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)CC2 ZINC000476803867 883160694 /nfs/dbraw/zinc/16/06/94/883160694.db2.gz ZYFWSOUGVOPYTC-UGKGYDQZSA-N 2 2 394.563 3.665 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000551263756 883572458 /nfs/dbraw/zinc/57/24/58/883572458.db2.gz DOCPVDIGHIYYJV-DNVCBOLYSA-N 2 2 378.442 3.538 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000551263756 883572463 /nfs/dbraw/zinc/57/24/63/883572463.db2.gz DOCPVDIGHIYYJV-DNVCBOLYSA-N 2 2 378.442 3.538 20 0 GHADLP CSc1ccc([C@@H](CNC2CC[NH+](Cc3ccncc3)CC2)[NH+](C)C)cc1 ZINC000551310474 883667207 /nfs/dbraw/zinc/66/72/07/883667207.db2.gz IFEIYXJZNAGQSH-JOCHJYFZSA-N 2 2 384.593 3.660 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H](CNC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000186876827 883726663 /nfs/dbraw/zinc/72/66/63/883726663.db2.gz SVGCGQNXJXJMII-XMMPIXPASA-N 2 2 378.564 3.546 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H](CNC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000186876827 883726675 /nfs/dbraw/zinc/72/66/75/883726675.db2.gz SVGCGQNXJXJMII-XMMPIXPASA-N 2 2 378.564 3.546 20 0 GHADLP CC[C@H]1CC([N@H+]2CCc3[nH+]ccn3CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170492024 884205903 /nfs/dbraw/zinc/20/59/03/884205903.db2.gz LQLVALXSZKYZPC-IRXDYDNUSA-N 2 2 376.545 3.698 20 0 GHADLP CC[C@H]1CC([N@@H+]2CCc3[nH+]ccn3CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170492024 884205922 /nfs/dbraw/zinc/20/59/22/884205922.db2.gz LQLVALXSZKYZPC-IRXDYDNUSA-N 2 2 376.545 3.698 20 0 GHADLP CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)c2C1 ZINC000476221208 884273926 /nfs/dbraw/zinc/27/39/26/884273926.db2.gz QLUQUSZFSWDWLF-UHFFFAOYSA-N 2 2 387.549 3.665 20 0 GHADLP CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)c2C1 ZINC000476221208 884273944 /nfs/dbraw/zinc/27/39/44/884273944.db2.gz QLUQUSZFSWDWLF-UHFFFAOYSA-N 2 2 387.549 3.665 20 0 GHADLP Clc1ccc2c(n1)CC[C@@H]2[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000806132197 884351804 /nfs/dbraw/zinc/35/18/04/884351804.db2.gz UADUTAMPXLEUHO-NRFANRHFSA-N 2 2 398.982 3.910 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCc4nc(Cl)ccc43)CC2)c1 ZINC000806130433 884390176 /nfs/dbraw/zinc/39/01/76/884390176.db2.gz YFNZNYFHLVKGRY-HXUWFJFHSA-N 2 2 384.955 3.833 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000495095264 884531814 /nfs/dbraw/zinc/53/18/14/884531814.db2.gz WQZGCJYMTAIYGH-UTKZUKDTSA-N 2 2 378.532 3.772 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000250116630 884545782 /nfs/dbraw/zinc/54/57/82/884545782.db2.gz UORFMEYXMLHMID-IEZKXTBUSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000250116630 884545790 /nfs/dbraw/zinc/54/57/90/884545790.db2.gz UORFMEYXMLHMID-IEZKXTBUSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000250116630 884545795 /nfs/dbraw/zinc/54/57/95/884545795.db2.gz UORFMEYXMLHMID-IEZKXTBUSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000250116630 884545808 /nfs/dbraw/zinc/54/58/08/884545808.db2.gz UORFMEYXMLHMID-IEZKXTBUSA-N 2 2 392.591 3.936 20 0 GHADLP C[NH+](C)C1CCC([NH2+][C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)CC1 ZINC001168297727 885053402 /nfs/dbraw/zinc/05/34/02/885053402.db2.gz HTDSUYQDGBRKKD-VNXZQDSDSA-N 2 2 380.532 3.804 20 0 GHADLP Cc1ccc2c(C)cc(NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)[nH+]c2c1 ZINC000643846880 912896749 /nfs/dbraw/zinc/89/67/49/912896749.db2.gz DTUBPKKXOPGRBH-UHFFFAOYSA-N 2 2 388.515 3.789 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000130776321 885111168 /nfs/dbraw/zinc/11/11/68/885111168.db2.gz SVCYNCZMNSWUBO-UHFFFAOYSA-N 2 2 398.507 3.584 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000130776321 885111177 /nfs/dbraw/zinc/11/11/77/885111177.db2.gz SVCYNCZMNSWUBO-UHFFFAOYSA-N 2 2 398.507 3.584 20 0 GHADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCO2 ZINC000556502937 885184657 /nfs/dbraw/zinc/18/46/57/885184657.db2.gz DDVMKHBFTDGOJK-FGZHOGPDSA-N 2 2 396.531 3.790 20 0 GHADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCO2 ZINC000556502937 885184669 /nfs/dbraw/zinc/18/46/69/885184669.db2.gz DDVMKHBFTDGOJK-FGZHOGPDSA-N 2 2 396.531 3.790 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[N@H+](C)CCCn3cc[nH+]c3C)cs2)cc1 ZINC000130913509 885344228 /nfs/dbraw/zinc/34/42/28/885344228.db2.gz KSIGDBYKWLSWSK-UHFFFAOYSA-N 2 2 384.505 3.624 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[N@@H+](C)CCCn3cc[nH+]c3C)cs2)cc1 ZINC000130913509 885344243 /nfs/dbraw/zinc/34/42/43/885344243.db2.gz KSIGDBYKWLSWSK-UHFFFAOYSA-N 2 2 384.505 3.624 20 0 GHADLP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC001183957571 912925749 /nfs/dbraw/zinc/92/57/49/912925749.db2.gz CNZIYBZZGAMUDA-HXUWFJFHSA-N 2 2 378.438 3.993 20 0 GHADLP Cc1cc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cn2cc[nH+]c12 ZINC000556662506 885826763 /nfs/dbraw/zinc/82/67/63/885826763.db2.gz AIHWPBJRSOTGGN-UHFFFAOYSA-N 2 2 383.418 3.523 20 0 GHADLP Clc1ccc(C[N@@H+]2CCCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000498892217 886059656 /nfs/dbraw/zinc/05/96/56/886059656.db2.gz OYFXSHKNGLLVDM-UHFFFAOYSA-N 2 2 385.943 3.833 20 0 GHADLP Clc1ccc(C[N@H+]2CCCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000498892217 886059667 /nfs/dbraw/zinc/05/96/67/886059667.db2.gz OYFXSHKNGLLVDM-UHFFFAOYSA-N 2 2 385.943 3.833 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)s1 ZINC000556827092 886273914 /nfs/dbraw/zinc/27/39/14/886273914.db2.gz FIUCADMBQLLCEQ-GOSISDBHSA-N 2 2 394.544 3.836 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)s1 ZINC000556827092 886273931 /nfs/dbraw/zinc/27/39/31/886273931.db2.gz FIUCADMBQLLCEQ-GOSISDBHSA-N 2 2 394.544 3.836 20 0 GHADLP C[N@@H+]1CC[C@H](CNc2nc(N3CCCC3)cc[nH+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762575690 886450638 /nfs/dbraw/zinc/45/06/38/886450638.db2.gz YLKYFQXNLXTSAA-BEFAXECRSA-N 2 2 389.906 3.974 20 0 GHADLP C[N@H+]1CC[C@H](CNc2nc(N3CCCC3)cc[nH+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762575690 886450641 /nfs/dbraw/zinc/45/06/41/886450641.db2.gz YLKYFQXNLXTSAA-BEFAXECRSA-N 2 2 389.906 3.974 20 0 GHADLP Cc1ccc(F)cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000119347190 886563407 /nfs/dbraw/zinc/56/34/07/886563407.db2.gz MSTWNRSLEUCULI-NHCUHLMSSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1ccc(F)cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000119347190 886563418 /nfs/dbraw/zinc/56/34/18/886563418.db2.gz MSTWNRSLEUCULI-NHCUHLMSSA-N 2 2 390.547 3.935 20 0 GHADLP COc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1NC(C)=O ZINC000132256641 886761297 /nfs/dbraw/zinc/76/12/97/886761297.db2.gz KZUNEXAEPXSHRL-KRWDZBQOSA-N 2 2 392.503 3.792 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C[C@H](C)O1 ZINC000237611627 886968686 /nfs/dbraw/zinc/96/86/86/886968686.db2.gz CCZXHYYGUKUKHR-OKILXGFUSA-N 2 2 385.335 3.858 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C[C@H](C)O1 ZINC000237611627 886968700 /nfs/dbraw/zinc/96/87/00/886968700.db2.gz CCZXHYYGUKUKHR-OKILXGFUSA-N 2 2 385.335 3.858 20 0 GHADLP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2nc3ccccn3c2Br)c1 ZINC000809616766 887589856 /nfs/dbraw/zinc/58/98/56/887589856.db2.gz YOJNKGIZWCSINZ-UHFFFAOYSA-N 2 2 387.325 3.838 20 0 GHADLP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2nc3ccccn3c2Br)c1 ZINC000809616766 887589870 /nfs/dbraw/zinc/58/98/70/887589870.db2.gz YOJNKGIZWCSINZ-UHFFFAOYSA-N 2 2 387.325 3.838 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000050802183 887711502 /nfs/dbraw/zinc/71/15/02/887711502.db2.gz FTXAAHFWQOBYGD-UHFFFAOYSA-N 2 2 377.532 3.642 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000809718672 887740630 /nfs/dbraw/zinc/74/06/30/887740630.db2.gz XEOFQKUABNVXLE-FUHIMQAGSA-N 2 2 388.556 3.674 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000105163236 887757959 /nfs/dbraw/zinc/75/79/59/887757959.db2.gz PEOUUBBGPRMWAE-QFIPXVFZSA-N 2 2 386.584 3.585 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000105163236 887757976 /nfs/dbraw/zinc/75/79/76/887757976.db2.gz PEOUUBBGPRMWAE-QFIPXVFZSA-N 2 2 386.584 3.585 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)C1 ZINC000810018917 888085526 /nfs/dbraw/zinc/08/55/26/888085526.db2.gz TVIWBDYVFNGYSY-IBGZPJMESA-N 2 2 382.549 3.670 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)C1 ZINC000810018917 888085539 /nfs/dbraw/zinc/08/55/39/888085539.db2.gz TVIWBDYVFNGYSY-IBGZPJMESA-N 2 2 382.549 3.670 20 0 GHADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000810171032 888230493 /nfs/dbraw/zinc/23/04/93/888230493.db2.gz DOVATVJEKZXLCZ-CYBMUJFWSA-N 2 2 376.291 3.858 20 0 GHADLP C[N@H+](Cc1ccccc1CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC000135987368 888271089 /nfs/dbraw/zinc/27/10/89/888271089.db2.gz VMROATZUHFCHLD-SFHVURJKSA-N 2 2 380.536 3.526 20 0 GHADLP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC000135987368 888271105 /nfs/dbraw/zinc/27/11/05/888271105.db2.gz VMROATZUHFCHLD-SFHVURJKSA-N 2 2 380.536 3.526 20 0 GHADLP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000794834027 888271802 /nfs/dbraw/zinc/27/18/02/888271802.db2.gz WOOLNUXOENNYHN-NLWGTHIKSA-N 2 2 390.572 3.527 20 0 GHADLP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000794834027 888271819 /nfs/dbraw/zinc/27/18/19/888271819.db2.gz WOOLNUXOENNYHN-NLWGTHIKSA-N 2 2 390.572 3.527 20 0 GHADLP O[C@H]1CCC[C@]1(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(F)cc1 ZINC000428569880 888742781 /nfs/dbraw/zinc/74/27/81/888742781.db2.gz HDGGGYJXEGLNTF-XZOQPEGZSA-N 2 2 379.479 3.875 20 0 GHADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000532754879 888888496 /nfs/dbraw/zinc/88/84/96/888888496.db2.gz QYKOSKYXHNJDOT-DOTOQJQBSA-N 2 2 391.968 3.613 20 0 GHADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000532754879 888888515 /nfs/dbraw/zinc/88/85/15/888888515.db2.gz QYKOSKYXHNJDOT-DOTOQJQBSA-N 2 2 391.968 3.613 20 0 GHADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccc(Cl)s1 ZINC000532754879 888888532 /nfs/dbraw/zinc/88/85/32/888888532.db2.gz QYKOSKYXHNJDOT-DOTOQJQBSA-N 2 2 391.968 3.613 20 0 GHADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccc(Cl)s1 ZINC000532754879 888888548 /nfs/dbraw/zinc/88/85/48/888888548.db2.gz QYKOSKYXHNJDOT-DOTOQJQBSA-N 2 2 391.968 3.613 20 0 GHADLP Cc1cc(C)c(CNC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)c[nH+]1 ZINC000454419529 889036490 /nfs/dbraw/zinc/03/64/90/889036490.db2.gz BJQLMLPANWXJEH-UHFFFAOYSA-N 2 2 380.536 3.930 20 0 GHADLP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245689519 889231185 /nfs/dbraw/zinc/23/11/85/889231185.db2.gz QBGLRRYFIRORJK-WMZOPIPTSA-N 2 2 394.475 3.798 20 0 GHADLP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245689519 889231194 /nfs/dbraw/zinc/23/11/94/889231194.db2.gz QBGLRRYFIRORJK-WMZOPIPTSA-N 2 2 394.475 3.798 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@](C[NH3+])(C(C)(C)C)C3)n2)C1 ZINC000868095053 889290792 /nfs/dbraw/zinc/29/07/92/889290792.db2.gz OITHVLLAGJUKNR-YWZLYKJASA-N 2 2 393.601 3.604 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@](C[NH3+])(C(C)(C)C)C3)n2)C1 ZINC000868095053 889290810 /nfs/dbraw/zinc/29/08/10/889290810.db2.gz OITHVLLAGJUKNR-YWZLYKJASA-N 2 2 393.601 3.604 20 0 GHADLP CC[NH+]1CCN(c2ccc([NH2+]C3CCC(c4nc(C)no4)CC3)c(C)c2)CC1 ZINC000644541255 913353636 /nfs/dbraw/zinc/35/36/36/913353636.db2.gz BWGHJHHZOOSHAD-UHFFFAOYSA-N 2 2 383.540 3.967 20 0 GHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)[C@H](C)C1 ZINC000533083916 889716429 /nfs/dbraw/zinc/71/64/29/889716429.db2.gz MGAHDQULFQOSSW-FCEUIQTBSA-N 2 2 397.567 3.613 20 0 GHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)[C@H](C)C1 ZINC000533083916 889716439 /nfs/dbraw/zinc/71/64/39/889716439.db2.gz MGAHDQULFQOSSW-FCEUIQTBSA-N 2 2 397.567 3.613 20 0 GHADLP Cc1ccc2cc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)[nH]c2c1 ZINC000124728923 889739331 /nfs/dbraw/zinc/73/93/31/889739331.db2.gz VEKXNDWUVCQIAB-GOTSBHOMSA-N 2 2 396.579 3.886 20 0 GHADLP Cc1ccc2cc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)[nH]c2c1 ZINC000124728923 889739337 /nfs/dbraw/zinc/73/93/37/889739337.db2.gz VEKXNDWUVCQIAB-GOTSBHOMSA-N 2 2 396.579 3.886 20 0 GHADLP CN(C(=O)c1cc(F)c(F)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124839993 889786007 /nfs/dbraw/zinc/78/60/07/889786007.db2.gz UDXOIXUPEQTMCH-UXHICEINSA-N 2 2 397.485 3.513 20 0 GHADLP CN(C(=O)c1cc(F)c(F)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124839993 889786013 /nfs/dbraw/zinc/78/60/13/889786013.db2.gz UDXOIXUPEQTMCH-UXHICEINSA-N 2 2 397.485 3.513 20 0 GHADLP CC1(C)c2c[nH+]c(N([C@@H]3C[C@H]3c3ccccc3)C3CCC([NH3+])CC3)cc2NC1=O ZINC001170644699 889993852 /nfs/dbraw/zinc/99/38/52/889993852.db2.gz UAIFQTSBVMGRDE-JWYNLTDQSA-N 2 2 390.531 3.944 20 0 GHADLP CC[N@@H+](Cc1nc2oc(C)c(C)c2c(N)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000533311044 890223481 /nfs/dbraw/zinc/22/34/81/890223481.db2.gz CDXBBPWHOYVNKJ-UHFFFAOYSA-N 2 2 394.523 3.555 20 0 GHADLP CC[N@H+](Cc1nc2oc(C)c(C)c2c(N)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000533311044 890223493 /nfs/dbraw/zinc/22/34/93/890223493.db2.gz CDXBBPWHOYVNKJ-UHFFFAOYSA-N 2 2 394.523 3.555 20 0 GHADLP C[C@H](CC1CCCC1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650019 891047065 /nfs/dbraw/zinc/04/70/65/891047065.db2.gz YBSBLYUSSMBFDK-BVYCBKJFSA-N 2 2 377.617 3.998 20 0 GHADLP C[C@H](CC1CCCC1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650019 891047074 /nfs/dbraw/zinc/04/70/74/891047074.db2.gz YBSBLYUSSMBFDK-BVYCBKJFSA-N 2 2 377.617 3.998 20 0 GHADLP CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccncc1)[N@@H+]1CCc2ccccc2C1 ZINC000067185711 891221738 /nfs/dbraw/zinc/22/17/38/891221738.db2.gz QJONWOPKBWVTDU-HSZRJFAPSA-N 2 2 389.547 3.655 20 0 GHADLP CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccncc1)[N@H+]1CCc2ccccc2C1 ZINC000067185711 891221756 /nfs/dbraw/zinc/22/17/56/891221756.db2.gz QJONWOPKBWVTDU-HSZRJFAPSA-N 2 2 389.547 3.655 20 0 GHADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)C[C@@H](C)O1 ZINC000067379469 891284923 /nfs/dbraw/zinc/28/49/23/891284923.db2.gz UCDXDWXUZLPTJY-HZPDHXFCSA-N 2 2 375.538 3.724 20 0 GHADLP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246827669 891312048 /nfs/dbraw/zinc/31/20/48/891312048.db2.gz AGICWVAWRZNPJG-AUSIDOKSSA-N 2 2 394.563 3.612 20 0 GHADLP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246827669 891312061 /nfs/dbraw/zinc/31/20/61/891312061.db2.gz AGICWVAWRZNPJG-AUSIDOKSSA-N 2 2 394.563 3.612 20 0 GHADLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000247358744 891371935 /nfs/dbraw/zinc/37/19/35/891371935.db2.gz HGHRUUNYWKYACJ-KIZRIRGWSA-N 2 2 395.551 3.529 20 0 GHADLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000247358744 891371952 /nfs/dbraw/zinc/37/19/52/891371952.db2.gz HGHRUUNYWKYACJ-KIZRIRGWSA-N 2 2 395.551 3.529 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000248141098 891412517 /nfs/dbraw/zinc/41/25/17/891412517.db2.gz PRCVIAWGDWYKCZ-XMCHAPAWSA-N 2 2 394.346 3.922 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000248141098 891412524 /nfs/dbraw/zinc/41/25/24/891412524.db2.gz PRCVIAWGDWYKCZ-XMCHAPAWSA-N 2 2 394.346 3.922 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497473135 891651666 /nfs/dbraw/zinc/65/16/66/891651666.db2.gz PSPCEOKQXICZGP-VXKWHMMOSA-N 2 2 399.485 3.736 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497473135 891651675 /nfs/dbraw/zinc/65/16/75/891651675.db2.gz PSPCEOKQXICZGP-VXKWHMMOSA-N 2 2 399.485 3.736 20 0 GHADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[NH+](C)C ZINC000497618832 892023048 /nfs/dbraw/zinc/02/30/48/892023048.db2.gz BZDJLOACRCBADV-XMSQKQJNSA-N 2 2 391.519 3.671 20 0 GHADLP CN(C(=O)NCC1(C2CC2)CCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000162636381 892922437 /nfs/dbraw/zinc/92/24/37/892922437.db2.gz QSLITLXTBVSFKL-RTWAWAEBSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)NCC1(C2CC2)CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000162636381 892922456 /nfs/dbraw/zinc/92/24/56/892922456.db2.gz QSLITLXTBVSFKL-RTWAWAEBSA-N 2 2 390.616 3.545 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2cc(C3CC3)oc2C2CC2)([NH+]2CCCCC2)CC1 ZINC000933630731 893110633 /nfs/dbraw/zinc/11/06/33/893110633.db2.gz ZNMWVLGHKFUXKJ-UHFFFAOYSA-N 2 2 385.552 3.715 20 0 GHADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(-c4ccncc4)cc3F)CC2)CC1 ZINC000536666071 893484890 /nfs/dbraw/zinc/48/48/90/893484890.db2.gz DFGGBIWONUSCRA-UHFFFAOYSA-N 2 2 396.554 3.878 20 0 GHADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000563374146 893678468 /nfs/dbraw/zinc/67/84/68/893678468.db2.gz NVSOTIWFRGCEJT-RXVVDRJESA-N 2 2 376.504 3.940 20 0 GHADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000563374146 893678471 /nfs/dbraw/zinc/67/84/71/893678471.db2.gz NVSOTIWFRGCEJT-RXVVDRJESA-N 2 2 376.504 3.940 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000444815141 893737082 /nfs/dbraw/zinc/73/70/82/893737082.db2.gz UXPDZVDNSZUJBZ-SUMWQHHRSA-N 2 2 393.318 3.712 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000444815141 893737098 /nfs/dbraw/zinc/73/70/98/893737098.db2.gz UXPDZVDNSZUJBZ-SUMWQHHRSA-N 2 2 393.318 3.712 20 0 GHADLP C[NH+]1CCC(CCO)([NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000563820585 894225826 /nfs/dbraw/zinc/22/58/26/894225826.db2.gz IKTQLHLUPYFPIU-UHFFFAOYSA-N 2 2 382.552 3.602 20 0 GHADLP O[C@H](C[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000817275724 895462278 /nfs/dbraw/zinc/46/22/78/895462278.db2.gz MXHRUNGGFXBINE-DNQXCXABSA-N 2 2 398.522 3.746 20 0 GHADLP O[C@H](C[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000817275724 895462282 /nfs/dbraw/zinc/46/22/82/895462282.db2.gz MXHRUNGGFXBINE-DNQXCXABSA-N 2 2 398.522 3.746 20 0 GHADLP O=c1[nH]c2ccccc2n1CCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000565497071 895675494 /nfs/dbraw/zinc/67/54/94/895675494.db2.gz LQLBGZCGROQIFD-XMMPIXPASA-N 2 2 390.531 3.730 20 0 GHADLP O=c1[nH]c2ccccc2n1CCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000565497071 895675501 /nfs/dbraw/zinc/67/55/01/895675501.db2.gz LQLBGZCGROQIFD-XMMPIXPASA-N 2 2 390.531 3.730 20 0 GHADLP O=c1[nH]c2ccccc2n1CCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000565497071 895675508 /nfs/dbraw/zinc/67/55/08/895675508.db2.gz LQLBGZCGROQIFD-XMMPIXPASA-N 2 2 390.531 3.730 20 0 GHADLP O=c1[nH]c2ccccc2n1CCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000565497071 895675513 /nfs/dbraw/zinc/67/55/13/895675513.db2.gz LQLBGZCGROQIFD-XMMPIXPASA-N 2 2 390.531 3.730 20 0 GHADLP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000565783000 895874311 /nfs/dbraw/zinc/87/43/11/895874311.db2.gz KIQAGHQNVBMTPA-UHFFFAOYSA-N 2 2 395.503 3.855 20 0 GHADLP CNC(=O)C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000566216208 896177094 /nfs/dbraw/zinc/17/70/94/896177094.db2.gz UVKYNTIHGKPYRM-FGZHOGPDSA-N 2 2 377.532 3.651 20 0 GHADLP CNC(=O)C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000566216208 896177102 /nfs/dbraw/zinc/17/71/02/896177102.db2.gz UVKYNTIHGKPYRM-FGZHOGPDSA-N 2 2 377.532 3.651 20 0 GHADLP CC[NH2+]CC1CC[NH+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)CC1 ZINC000566246185 896197969 /nfs/dbraw/zinc/19/79/69/896197969.db2.gz MCWKETDBUPJMIY-UHFFFAOYSA-N 2 2 382.533 3.885 20 0 GHADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000566287144 896217254 /nfs/dbraw/zinc/21/72/54/896217254.db2.gz YSJSCZONCLQLFY-WZONZLPQSA-N 2 2 388.515 3.603 20 0 GHADLP C[C@@H](OC[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000818979851 896297534 /nfs/dbraw/zinc/29/75/34/896297534.db2.gz BVJIQQGJEZKZCO-IERDGZPVSA-N 2 2 385.895 3.754 20 0 GHADLP COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000819184172 896453612 /nfs/dbraw/zinc/45/36/12/896453612.db2.gz CHYHMQOBIHFMHD-VXKWHMMOSA-N 2 2 395.503 3.582 20 0 GHADLP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)COc1ccc(-c3ccccc3)cc1)CC2 ZINC000566702179 896506017 /nfs/dbraw/zinc/50/60/17/896506017.db2.gz YBXJJLIMEQIJDW-QFIPXVFZSA-N 2 2 380.532 3.654 20 0 GHADLP C[N@H+]1CCCC12CC[NH+](C[C@H](O)COc1ccc(-c3ccccc3)cc1)CC2 ZINC000566702179 896506036 /nfs/dbraw/zinc/50/60/36/896506036.db2.gz YBXJJLIMEQIJDW-QFIPXVFZSA-N 2 2 380.532 3.654 20 0 GHADLP COC(=O)c1cccc(NC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000567200507 896961460 /nfs/dbraw/zinc/96/14/60/896961460.db2.gz JSVURLNRGBGULH-UHFFFAOYSA-N 2 2 390.487 3.735 20 0 GHADLP C[C@@H](OC[C@@H](O)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000567678692 897332882 /nfs/dbraw/zinc/33/28/82/897332882.db2.gz ZHXKXDLQQFBOIT-VGSWGCGISA-N 2 2 399.922 3.813 20 0 GHADLP c1cn(-c2csc(CNc3ccc(N4CC[N@@H+]5CCC[C@@H]5C4)cc3)c2)c[nH+]1 ZINC000883346269 897516706 /nfs/dbraw/zinc/51/67/06/897516706.db2.gz WDIZXNZBBDQRTE-LJQANCHMSA-N 2 2 379.533 3.830 20 0 GHADLP c1cn(-c2csc(CNc3ccc(N4CC[N@H+]5CCC[C@@H]5C4)cc3)c2)c[nH+]1 ZINC000883346269 897516722 /nfs/dbraw/zinc/51/67/22/897516722.db2.gz WDIZXNZBBDQRTE-LJQANCHMSA-N 2 2 379.533 3.830 20 0 GHADLP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386731 897550719 /nfs/dbraw/zinc/55/07/19/897550719.db2.gz MBOUMVGACKPGCY-MAUKXSAKSA-N 2 2 383.883 3.680 20 0 GHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000883387976 897552499 /nfs/dbraw/zinc/55/24/99/897552499.db2.gz JQQVZBMTVZEPFK-DYESRHJHSA-N 2 2 375.476 3.505 20 0 GHADLP Cc1ccccc1[C@@H](OC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)c1ccccc1 ZINC000568179263 897658333 /nfs/dbraw/zinc/65/83/33/897658333.db2.gz JDYRLGLNIBIWQV-AANQFLQQSA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccccc1[C@@H](OC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2)c1ccccc1 ZINC000568179263 897658341 /nfs/dbraw/zinc/65/83/41/897658341.db2.gz JDYRLGLNIBIWQV-AANQFLQQSA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccccc1[C@@H](OC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)c1ccccc1 ZINC000568179263 897658347 /nfs/dbraw/zinc/65/83/47/897658347.db2.gz JDYRLGLNIBIWQV-AANQFLQQSA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccccc1[C@@H](OC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)c1ccccc1 ZINC000568179263 897658353 /nfs/dbraw/zinc/65/83/53/897658353.db2.gz JDYRLGLNIBIWQV-AANQFLQQSA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OCC[NH+]3CCOCC3)cc1)CCC2 ZINC001202611230 898268886 /nfs/dbraw/zinc/26/88/86/898268886.db2.gz HHYDIBUCMSHKKV-XMMPIXPASA-N 2 2 380.532 3.873 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000569507688 898725736 /nfs/dbraw/zinc/72/57/36/898725736.db2.gz KSYAYSDDCYXVHV-RDTXWAMCSA-N 2 2 379.426 3.822 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000569507688 898725749 /nfs/dbraw/zinc/72/57/49/898725749.db2.gz KSYAYSDDCYXVHV-RDTXWAMCSA-N 2 2 379.426 3.822 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000823529864 899074987 /nfs/dbraw/zinc/07/49/87/899074987.db2.gz MNMAQDLTTNNDQY-ICSRJNTNSA-N 2 2 382.508 3.622 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000823529864 899074998 /nfs/dbraw/zinc/07/49/98/899074998.db2.gz MNMAQDLTTNNDQY-ICSRJNTNSA-N 2 2 382.508 3.622 20 0 GHADLP O=C1[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccccc1 ZINC000570842809 899634004 /nfs/dbraw/zinc/63/40/04/899634004.db2.gz SMOXJCBZSLWRCU-UNMCSNQZSA-N 2 2 375.516 3.579 20 0 GHADLP O=C1[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccccc1 ZINC000570842809 899634014 /nfs/dbraw/zinc/63/40/14/899634014.db2.gz SMOXJCBZSLWRCU-UNMCSNQZSA-N 2 2 375.516 3.579 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(Cl)cc1 ZINC000824545189 899702273 /nfs/dbraw/zinc/70/22/73/899702273.db2.gz BMBKVKNMFUSXMW-HNNXBMFYSA-N 2 2 396.926 3.835 20 0 GHADLP [NH3+]C1(C[NH2+]CC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)CCC1 ZINC000571047230 899721273 /nfs/dbraw/zinc/72/12/73/899721273.db2.gz MBVQFIVIVVJYEB-UHFFFAOYSA-N 2 2 399.554 3.594 20 0 GHADLP O=C(Nc1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1)c1ccc(Cl)cc1Cl ZINC000571055439 899727499 /nfs/dbraw/zinc/72/74/99/899727499.db2.gz FZRZLNWSLUOGEG-VQFNDLOPSA-N 2 2 376.287 3.553 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)COc2ccccc2C(C)C)CC1 ZINC000571451044 899872680 /nfs/dbraw/zinc/87/26/80/899872680.db2.gz IXFVJXFSFXGWCQ-IBGZPJMESA-N 2 2 384.520 3.797 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000572011534 900034172 /nfs/dbraw/zinc/03/41/72/900034172.db2.gz HCPXCFKHJHRJTG-YQVWRLOYSA-N 2 2 376.504 3.629 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000572011534 900034181 /nfs/dbraw/zinc/03/41/81/900034181.db2.gz HCPXCFKHJHRJTG-YQVWRLOYSA-N 2 2 376.504 3.629 20 0 GHADLP Cc1cc(C)c(NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)c(C)[nH+]1 ZINC000333206667 900036528 /nfs/dbraw/zinc/03/65/28/900036528.db2.gz SKFUBPRTVMKYLC-UHFFFAOYSA-N 2 2 381.524 3.573 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000333241304 900061593 /nfs/dbraw/zinc/06/15/93/900061593.db2.gz IMRVAVOMLGJBMO-NRFANRHFSA-N 2 2 399.583 3.668 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000333241304 900061605 /nfs/dbraw/zinc/06/16/05/900061605.db2.gz IMRVAVOMLGJBMO-NRFANRHFSA-N 2 2 399.583 3.668 20 0 GHADLP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC001137021746 900099578 /nfs/dbraw/zinc/09/95/78/900099578.db2.gz XVBKULPVBYYYIH-HSZRJFAPSA-N 2 2 388.515 3.841 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H](O)c3cc(F)ccc3F)C2)s1 ZINC000844330149 900703267 /nfs/dbraw/zinc/70/32/67/900703267.db2.gz VIHLVROWXMDICI-FOIQADDNSA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H](O)c3cc(F)ccc3F)C2)s1 ZINC000844330149 900703284 /nfs/dbraw/zinc/70/32/84/900703284.db2.gz VIHLVROWXMDICI-FOIQADDNSA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](O)c3cc(F)ccc3F)C2)s1 ZINC000844330149 900703295 /nfs/dbraw/zinc/70/32/95/900703295.db2.gz VIHLVROWXMDICI-FOIQADDNSA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](O)c3cc(F)ccc3F)C2)s1 ZINC000844330149 900703308 /nfs/dbraw/zinc/70/33/08/900703308.db2.gz VIHLVROWXMDICI-FOIQADDNSA-N 2 2 380.504 3.822 20 0 GHADLP Cc1c(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cccc1C(F)(F)F ZINC001143924177 900773874 /nfs/dbraw/zinc/77/38/74/900773874.db2.gz OUQDGHBNTZSGOA-QZTJIDSGSA-N 2 2 375.438 3.973 20 0 GHADLP CC[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1cccc2ccccc21 ZINC000886790733 901275847 /nfs/dbraw/zinc/27/58/47/901275847.db2.gz LAFGSAODLNIOCE-DEOSSOPVSA-N 2 2 381.564 3.677 20 0 GHADLP O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000575871408 901411047 /nfs/dbraw/zinc/41/10/47/901411047.db2.gz AROCJGFDMJNLBD-QGZVFWFLSA-N 2 2 384.549 3.662 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090523748 901434316 /nfs/dbraw/zinc/43/43/16/901434316.db2.gz ZKSOOGGARFKFBE-ZQMYSKGWSA-N 3 2 382.552 3.599 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000093318534 901541044 /nfs/dbraw/zinc/54/10/44/901541044.db2.gz PARHZQNIQCXXDM-CVDCTZTESA-N 2 2 389.547 3.967 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000093318534 901541114 /nfs/dbraw/zinc/54/11/14/901541114.db2.gz PARHZQNIQCXXDM-CVDCTZTESA-N 2 2 389.547 3.967 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000093318534 901541248 /nfs/dbraw/zinc/54/12/48/901541248.db2.gz PARHZQNIQCXXDM-CVDCTZTESA-N 2 2 389.547 3.967 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000093318534 901541278 /nfs/dbraw/zinc/54/12/78/901541278.db2.gz PARHZQNIQCXXDM-CVDCTZTESA-N 2 2 389.547 3.967 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000093318529 901542392 /nfs/dbraw/zinc/54/23/92/901542392.db2.gz PARHZQNIQCXXDM-AUSIDOKSSA-N 2 2 389.547 3.967 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000093318529 901542404 /nfs/dbraw/zinc/54/24/04/901542404.db2.gz PARHZQNIQCXXDM-AUSIDOKSSA-N 2 2 389.547 3.967 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000093318529 901542412 /nfs/dbraw/zinc/54/24/12/901542412.db2.gz PARHZQNIQCXXDM-AUSIDOKSSA-N 2 2 389.547 3.967 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000093318529 901542419 /nfs/dbraw/zinc/54/24/19/901542419.db2.gz PARHZQNIQCXXDM-AUSIDOKSSA-N 2 2 389.547 3.967 20 0 GHADLP O=C(NC1CC1)[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000576201203 901800503 /nfs/dbraw/zinc/80/05/03/901800503.db2.gz RPVMTXQKQNPMQH-QPPBQGQZSA-N 2 2 391.559 3.898 20 0 GHADLP O=C(NC1CC1)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000576201203 901800511 /nfs/dbraw/zinc/80/05/11/901800511.db2.gz RPVMTXQKQNPMQH-QPPBQGQZSA-N 2 2 391.559 3.898 20 0 GHADLP C[C@H](c1nnc(SCC[C@@H]2CCC[N@@H+]2C)n1-c1ccc(F)cc1)[NH+](C)C ZINC000124291672 902049442 /nfs/dbraw/zinc/04/94/42/902049442.db2.gz OJICVTXGKDUGDT-ZBFHGGJFSA-N 2 2 377.533 3.605 20 0 GHADLP C[C@H](c1nnc(SCC[C@@H]2CCC[N@H+]2C)n1-c1ccc(F)cc1)[NH+](C)C ZINC000124291672 902049454 /nfs/dbraw/zinc/04/94/54/902049454.db2.gz OJICVTXGKDUGDT-ZBFHGGJFSA-N 2 2 377.533 3.605 20 0 GHADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000576914165 902354604 /nfs/dbraw/zinc/35/46/04/902354604.db2.gz PQITWCMPYDZGDX-HXUWFJFHSA-N 2 2 394.523 3.525 20 0 GHADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000576914165 902354609 /nfs/dbraw/zinc/35/46/09/902354609.db2.gz PQITWCMPYDZGDX-HXUWFJFHSA-N 2 2 394.523 3.525 20 0 GHADLP COc1cc(Br)cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c1 ZINC001146996479 903657323 /nfs/dbraw/zinc/65/73/23/903657323.db2.gz WECJHHRLGLDGFD-UHFFFAOYSA-N 2 2 387.237 3.599 20 0 GHADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000265181839 903691371 /nfs/dbraw/zinc/69/13/71/903691371.db2.gz DWPXYAMZDASOST-IBGZPJMESA-N 2 2 395.547 3.779 20 0 GHADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000265181839 903691377 /nfs/dbraw/zinc/69/13/77/903691377.db2.gz DWPXYAMZDASOST-IBGZPJMESA-N 2 2 395.547 3.779 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Br)nc1 ZINC000290601074 914751414 /nfs/dbraw/zinc/75/14/14/914751414.db2.gz HFKCMFKYCXZCDO-CJNGLKHVSA-N 2 2 390.329 3.553 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)Nc3ccc(OCC[NH+]4CCCC4)c(C)c3)ccn12 ZINC000578666080 904036248 /nfs/dbraw/zinc/03/62/48/904036248.db2.gz XTJNFNRTMYAEPM-UHFFFAOYSA-N 2 2 378.476 3.678 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646687502 914776065 /nfs/dbraw/zinc/77/60/65/914776065.db2.gz NBPKLCXADWBGKF-QFIPXVFZSA-N 2 2 392.547 3.568 20 0 GHADLP Fc1cc(F)c2c(c1)C[C@@H](N(c1cccc[nH+]1)[C@@H]1COC3(C1)CC[NH2+]CC3)CC2 ZINC001171368296 904361050 /nfs/dbraw/zinc/36/10/50/904361050.db2.gz DDQYCHFYWIGUKP-OALUTQOASA-N 2 2 399.485 3.635 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)CC2)cc1 ZINC000773141696 904478125 /nfs/dbraw/zinc/47/81/25/904478125.db2.gz ULDXCQDNTDCHJA-HSALFYBXSA-N 2 2 377.623 3.691 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC(=O)c3cccs3)c(OC)c2)CC1 ZINC001137256336 904682111 /nfs/dbraw/zinc/68/21/11/904682111.db2.gz DBHLVDZJAOZRSH-UHFFFAOYSA-N 2 2 388.533 3.892 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC(=O)c3cccs3)c(OC)c2)CC1 ZINC001137256336 904682117 /nfs/dbraw/zinc/68/21/17/904682117.db2.gz DBHLVDZJAOZRSH-UHFFFAOYSA-N 2 2 388.533 3.892 20 0 GHADLP Cc1cc(=O)oc2cc(NC(=O)[C@H](C)[NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)ccc12 ZINC001171626345 904890050 /nfs/dbraw/zinc/89/00/50/904890050.db2.gz ZMSHOYOXZOQJOG-HNNXBMFYSA-N 2 2 399.535 3.669 20 0 GHADLP CC[N@H+](C[C@H](O)c1c(F)cccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108700 905043575 /nfs/dbraw/zinc/04/35/75/905043575.db2.gz XBLMCVPEQZECSL-IBGZPJMESA-N 2 2 375.463 3.632 20 0 GHADLP CC[N@@H+](C[C@H](O)c1c(F)cccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108700 905043592 /nfs/dbraw/zinc/04/35/92/905043592.db2.gz XBLMCVPEQZECSL-IBGZPJMESA-N 2 2 375.463 3.632 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001171963962 905171205 /nfs/dbraw/zinc/17/12/05/905171205.db2.gz HYWGYPITQBLMFF-OAHLLOKOSA-N 2 2 379.426 3.862 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccn1 ZINC001172067168 905335803 /nfs/dbraw/zinc/33/58/03/905335803.db2.gz OOVCNOAUXJGEDK-KGSLCBSSSA-N 2 2 393.531 3.861 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccn1 ZINC001172067168 905335817 /nfs/dbraw/zinc/33/58/17/905335817.db2.gz OOVCNOAUXJGEDK-KGSLCBSSSA-N 2 2 393.531 3.861 20 0 GHADLP CC(C)Oc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000174852465 905371898 /nfs/dbraw/zinc/37/18/98/905371898.db2.gz HVRSGHWORWVRRG-UHFFFAOYSA-N 2 2 396.963 3.617 20 0 GHADLP CC(C)Oc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000174852465 905371910 /nfs/dbraw/zinc/37/19/10/905371910.db2.gz HVRSGHWORWVRRG-UHFFFAOYSA-N 2 2 396.963 3.617 20 0 GHADLP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001172362186 905530410 /nfs/dbraw/zinc/53/04/10/905530410.db2.gz QTJVGOLECVOWAC-GBESFXJTSA-N 2 2 397.604 3.644 20 0 GHADLP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001172362186 905530417 /nfs/dbraw/zinc/53/04/17/905530417.db2.gz QTJVGOLECVOWAC-GBESFXJTSA-N 2 2 397.604 3.644 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+]([C@H]4CCC[C@@H](c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001172542279 905647476 /nfs/dbraw/zinc/64/74/76/905647476.db2.gz FMOHAHXCUNGKHE-YCAMKHIRSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+]([C@H]4CCC[C@@H](c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001172542279 905647479 /nfs/dbraw/zinc/64/74/79/905647479.db2.gz FMOHAHXCUNGKHE-YCAMKHIRSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+]([C@H]4CCC[C@@H](c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001172542279 905647483 /nfs/dbraw/zinc/64/74/83/905647483.db2.gz FMOHAHXCUNGKHE-YCAMKHIRSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+]([C@H]4CCC[C@@H](c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001172542279 905647486 /nfs/dbraw/zinc/64/74/86/905647486.db2.gz FMOHAHXCUNGKHE-YCAMKHIRSA-N 2 2 378.564 3.900 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172580259 905681086 /nfs/dbraw/zinc/68/10/86/905681086.db2.gz JASQOECFRHJMOY-HBFSDRIKSA-N 2 2 391.531 3.998 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCC[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172580259 905681091 /nfs/dbraw/zinc/68/10/91/905681091.db2.gz JASQOECFRHJMOY-HBFSDRIKSA-N 2 2 391.531 3.998 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172581985 905682953 /nfs/dbraw/zinc/68/29/53/905682953.db2.gz XDNCKFSQICBBFO-BJLQDIEVSA-N 2 2 391.531 3.998 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCC[C@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172581985 905682956 /nfs/dbraw/zinc/68/29/56/905682956.db2.gz XDNCKFSQICBBFO-BJLQDIEVSA-N 2 2 391.531 3.998 20 0 GHADLP Cc1cccc([C@H]2CCCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000176381580 905833063 /nfs/dbraw/zinc/83/30/63/905833063.db2.gz XTIYKGHSJWSUHM-HSZRJFAPSA-N 2 2 398.595 3.709 20 0 GHADLP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172867801 905882337 /nfs/dbraw/zinc/88/23/37/905882337.db2.gz QQEQVODDWITSEW-ATZDWAIDSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172867801 905882351 /nfs/dbraw/zinc/88/23/51/905882351.db2.gz QQEQVODDWITSEW-ATZDWAIDSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172867801 905882367 /nfs/dbraw/zinc/88/23/67/905882367.db2.gz QQEQVODDWITSEW-ATZDWAIDSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172867801 905882384 /nfs/dbraw/zinc/88/23/84/905882384.db2.gz QQEQVODDWITSEW-ATZDWAIDSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001172863697 905918345 /nfs/dbraw/zinc/91/83/45/905918345.db2.gz PNDUSRBUYMGPFF-CETSPDHXSA-N 2 2 384.923 3.982 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@@H](C)Cc3ccc(F)cc3Cl)CC2)C1 ZINC001172870739 905941858 /nfs/dbraw/zinc/94/18/58/905941858.db2.gz CMLXTHMNRGAMTI-RDJZCZTQSA-N 2 2 396.934 3.760 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)Cc3ccc(F)cc3Cl)CC2)C1 ZINC001172870739 905941868 /nfs/dbraw/zinc/94/18/68/905941868.db2.gz CMLXTHMNRGAMTI-RDJZCZTQSA-N 2 2 396.934 3.760 20 0 GHADLP Cc1nc(Nc2ccc(C3CC[NH+](C)CC3)cc2)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001212689327 905974263 /nfs/dbraw/zinc/97/42/63/905974263.db2.gz YTHVTAUTFKJSQM-IRXDYDNUSA-N 2 2 395.551 3.951 20 0 GHADLP Cc1ncc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000628202288 906012084 /nfs/dbraw/zinc/01/20/84/906012084.db2.gz NSDQEPMATMFEEP-UHFFFAOYSA-N 2 2 376.504 3.595 20 0 GHADLP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CN1C(=O)OC(C)(C)C ZINC001173057074 906131940 /nfs/dbraw/zinc/13/19/40/906131940.db2.gz CLEZOZCISKOXTK-IAGOWNOFSA-N 2 2 391.531 3.864 20 0 GHADLP C[C@@H]1CC[C@H]([NH+]2CCC([NH+]3CCC(F)CC3)CC2)CN1C(=O)OC(C)(C)C ZINC001173066006 906145157 /nfs/dbraw/zinc/14/51/57/906145157.db2.gz OGEZACOBIUJEGJ-APWZRJJASA-N 2 2 383.552 3.673 20 0 GHADLP CC[NH+](CC)C1CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)OC(C)(C)C)CC1 ZINC001173103203 906190721 /nfs/dbraw/zinc/19/07/21/906190721.db2.gz FRKJZFWZJDQCAV-GRERDSQWSA-N 2 2 390.568 3.888 20 0 GHADLP O=C(c1ccc(Cl)cc1)N1CCC(N(c2cccc[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001173419948 906449041 /nfs/dbraw/zinc/44/90/41/906449041.db2.gz PDKUOFANACHCFG-UHFFFAOYSA-N 2 2 398.938 3.598 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ncc(Br)s1 ZINC000179219891 906450219 /nfs/dbraw/zinc/45/02/19/906450219.db2.gz PBEZGSLILZBTIK-GFCCVEGCSA-N 2 2 384.343 3.697 20 0 GHADLP CCOc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000629653758 906931317 /nfs/dbraw/zinc/93/13/17/906931317.db2.gz GDSONCAKJIAAPA-QWHCGFSZSA-N 2 2 382.373 3.646 20 0 GHADLP CCOc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000629653758 906931327 /nfs/dbraw/zinc/93/13/27/906931327.db2.gz GDSONCAKJIAAPA-QWHCGFSZSA-N 2 2 382.373 3.646 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(-c3cnn(C)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000185020190 907697504 /nfs/dbraw/zinc/69/75/04/907697504.db2.gz NGXIMHKWINMJKM-FXAWDEMLSA-N 2 2 379.508 3.560 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(-c3cnn(C)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC000185020190 907697506 /nfs/dbraw/zinc/69/75/06/907697506.db2.gz NGXIMHKWINMJKM-FXAWDEMLSA-N 2 2 379.508 3.560 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(-c3cnn(C)c3)no2)CC[NH+]1Cc1ccccc1 ZINC000185020190 907697511 /nfs/dbraw/zinc/69/75/11/907697511.db2.gz NGXIMHKWINMJKM-FXAWDEMLSA-N 2 2 379.508 3.560 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(-c3cnn(C)c3)no2)CC[NH+]1Cc1ccccc1 ZINC000185020190 907697524 /nfs/dbraw/zinc/69/75/24/907697524.db2.gz NGXIMHKWINMJKM-FXAWDEMLSA-N 2 2 379.508 3.560 20 0 GHADLP c1ccc(C[NH+]2CCC[N@@H+](CCN3CCCc4ccccc43)CCOCC2)cc1 ZINC001176495743 908137415 /nfs/dbraw/zinc/13/74/15/908137415.db2.gz KAPCPCHLGASKQT-UHFFFAOYSA-N 2 2 393.575 3.664 20 0 GHADLP c1ccc(C[NH+]2CCC[N@H+](CCN3CCCc4ccccc43)CCOCC2)cc1 ZINC001176495743 908137423 /nfs/dbraw/zinc/13/74/23/908137423.db2.gz KAPCPCHLGASKQT-UHFFFAOYSA-N 2 2 393.575 3.664 20 0 GHADLP c1ccc(C[N@H+]2CCC[NH+](CCN3CCCc4ccccc43)CCOCC2)cc1 ZINC001176495743 908137428 /nfs/dbraw/zinc/13/74/28/908137428.db2.gz KAPCPCHLGASKQT-UHFFFAOYSA-N 2 2 393.575 3.664 20 0 GHADLP c1ccc(C[N@@H+]2CCC[NH+](CCN3CCCc4ccccc43)CCOCC2)cc1 ZINC001176495743 908137435 /nfs/dbraw/zinc/13/74/35/908137435.db2.gz KAPCPCHLGASKQT-UHFFFAOYSA-N 2 2 393.575 3.664 20 0 GHADLP C[C@@H]1CCC[N@H+](CCNC2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC001177261591 908506109 /nfs/dbraw/zinc/50/61/09/908506109.db2.gz HJGLEIFGIIGTER-QGZVFWFLSA-N 2 2 394.401 3.735 20 0 GHADLP C[C@@H]1CCC[N@@H+](CCNC2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC001177261591 908506113 /nfs/dbraw/zinc/50/61/13/908506113.db2.gz HJGLEIFGIIGTER-QGZVFWFLSA-N 2 2 394.401 3.735 20 0 GHADLP C[C@H](CNC1CC[NH+](C2CCCCC2)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC001177278063 908513481 /nfs/dbraw/zinc/51/34/81/908513481.db2.gz QFZAWNRPWHNQDE-OAQYLSRUSA-N 2 2 384.612 3.584 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000192254875 908745371 /nfs/dbraw/zinc/74/53/71/908745371.db2.gz KLLINBSJJSULBK-UHFFFAOYSA-N 2 2 397.567 3.532 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC001177911855 908798673 /nfs/dbraw/zinc/79/86/73/908798673.db2.gz LJKOFCQAFJTXAH-UGKGYDQZSA-N 2 2 395.934 3.861 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC001177911855 908798682 /nfs/dbraw/zinc/79/86/82/908798682.db2.gz LJKOFCQAFJTXAH-UGKGYDQZSA-N 2 2 395.934 3.861 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)CC1 ZINC000192838883 908828806 /nfs/dbraw/zinc/82/88/06/908828806.db2.gz MGWHJBJNAODACU-GHTZIAJQSA-N 2 2 379.976 3.518 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)CC1 ZINC000192838883 908828814 /nfs/dbraw/zinc/82/88/14/908828814.db2.gz MGWHJBJNAODACU-GHTZIAJQSA-N 2 2 379.976 3.518 20 0 GHADLP COc1cc2c(cc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)OCO2 ZINC001178276384 908980139 /nfs/dbraw/zinc/98/01/39/908980139.db2.gz ONCFWOVPQBSDRY-IBGZPJMESA-N 2 2 379.460 3.768 20 0 GHADLP C[C@H]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000266303023 909070739 /nfs/dbraw/zinc/07/07/39/909070739.db2.gz ATQFMPNLKJOELF-FQEVSTJZSA-N 2 2 388.515 3.668 20 0 GHADLP C[C@H]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000266303023 909070764 /nfs/dbraw/zinc/07/07/64/909070764.db2.gz ATQFMPNLKJOELF-FQEVSTJZSA-N 2 2 388.515 3.668 20 0 GHADLP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000635545023 909283217 /nfs/dbraw/zinc/28/32/17/909283217.db2.gz FLNGMWVWIQDBSF-KRWDZBQOSA-N 2 2 382.430 3.533 20 0 GHADLP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000635545023 909283229 /nfs/dbraw/zinc/28/32/29/909283229.db2.gz FLNGMWVWIQDBSF-KRWDZBQOSA-N 2 2 382.430 3.533 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc(Br)cc1F ZINC000266931629 909341598 /nfs/dbraw/zinc/34/15/98/909341598.db2.gz ORMNXCXXNACGGL-LBPRGKRZSA-N 2 2 395.276 3.520 20 0 GHADLP O=C(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc(Br)cc1F ZINC000266931629 909341607 /nfs/dbraw/zinc/34/16/07/909341607.db2.gz ORMNXCXXNACGGL-LBPRGKRZSA-N 2 2 395.276 3.520 20 0 GHADLP FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001179386823 909515603 /nfs/dbraw/zinc/51/56/03/909515603.db2.gz UDLXMFDKPJTXSR-AZUAARDMSA-N 2 2 398.469 3.632 20 0 GHADLP Clc1cccc(N2CCOCC2)c1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000268011392 909735716 /nfs/dbraw/zinc/73/57/16/909735716.db2.gz RDEOEBBVENXENR-UHFFFAOYSA-N 2 2 382.895 3.652 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268768059 910005016 /nfs/dbraw/zinc/00/50/16/910005016.db2.gz OPJIRKXNXMTPMP-LJQANCHMSA-N 3 2 378.520 3.723 20 0 GHADLP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC000269098666 910138680 /nfs/dbraw/zinc/13/86/80/910138680.db2.gz SMZRLAIYTJXZGO-AUSIDOKSSA-N 3 2 393.579 3.705 20 0 GHADLP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC000269098666 910138690 /nfs/dbraw/zinc/13/86/90/910138690.db2.gz SMZRLAIYTJXZGO-AUSIDOKSSA-N 3 2 393.579 3.705 20 0 GHADLP C[NH+]1CCC(N2CCC([NH2+][C@H]3CC[N@H+](C4CC4)[C@H](c4ccccc4)C3)CC2)CC1 ZINC000638460564 910157872 /nfs/dbraw/zinc/15/78/72/910157872.db2.gz ZBLWWMZUIVMHCW-DHLKQENFSA-N 3 2 396.623 3.503 20 0 GHADLP C[NH+]1CCC(N2CCC([NH2+][C@H]3CC[N@@H+](C4CC4)[C@H](c4ccccc4)C3)CC2)CC1 ZINC000638460564 910157884 /nfs/dbraw/zinc/15/78/84/910157884.db2.gz ZBLWWMZUIVMHCW-DHLKQENFSA-N 3 2 396.623 3.503 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]CCCCn2cc[nH+]c2C)cs1)c1ccccc1 ZINC000638673915 910209561 /nfs/dbraw/zinc/20/95/61/910209561.db2.gz BCLIJIZWCFDXPU-UHFFFAOYSA-N 2 2 383.521 3.903 20 0 GHADLP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@@H](C[NH+](C)Cc3cccnc3)C1)CC2 ZINC000639081390 910308920 /nfs/dbraw/zinc/30/89/20/910308920.db2.gz QNWNIUCMKLMGJF-GHTZIAJQSA-N 2 2 381.520 3.540 20 0 GHADLP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@@H](C[NH+](C)Cc3cccnc3)C1)CC2 ZINC000639081390 910308940 /nfs/dbraw/zinc/30/89/40/910308940.db2.gz QNWNIUCMKLMGJF-GHTZIAJQSA-N 2 2 381.520 3.540 20 0 GHADLP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@@H](C[N@H+](C)Cc3cccnc3)C1)CC2 ZINC000639081390 910308952 /nfs/dbraw/zinc/30/89/52/910308952.db2.gz QNWNIUCMKLMGJF-GHTZIAJQSA-N 2 2 381.520 3.540 20 0 GHADLP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@@H](C[N@@H+](C)Cc3cccnc3)C1)CC2 ZINC000639081390 910308971 /nfs/dbraw/zinc/30/89/71/910308971.db2.gz QNWNIUCMKLMGJF-GHTZIAJQSA-N 2 2 381.520 3.540 20 0 GHADLP CN(C(=O)c1cccc2cnccc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000270018074 910408727 /nfs/dbraw/zinc/40/87/27/910408727.db2.gz CYQSEIIDNIGYLF-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cccc2cnccc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000270018074 910408736 /nfs/dbraw/zinc/40/87/36/910408736.db2.gz CYQSEIIDNIGYLF-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cnc([C@@H]4CCCO4)s3)[nH+]c2)CC1 ZINC000270092258 910436470 /nfs/dbraw/zinc/43/64/70/910436470.db2.gz KUYICMVOWVPVAK-SFHVURJKSA-N 2 2 387.553 3.532 20 0 GHADLP C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC[N@@H+]1C ZINC000270177876 910471377 /nfs/dbraw/zinc/47/13/77/910471377.db2.gz CKKSVIHXXIOXAP-WMZOPIPTSA-N 2 2 379.508 3.548 20 0 GHADLP C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC[N@H+]1C ZINC000270177876 910471386 /nfs/dbraw/zinc/47/13/86/910471386.db2.gz CKKSVIHXXIOXAP-WMZOPIPTSA-N 2 2 379.508 3.548 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000270391898 910547145 /nfs/dbraw/zinc/54/71/45/910547145.db2.gz XTGNHDMWLVERRS-LJQANCHMSA-N 2 2 391.519 3.694 20 0 GHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]CCCc3ccc4c(c3)CCO4)C2)CC1 ZINC000366458701 921631610 /nfs/dbraw/zinc/63/16/10/921631610.db2.gz LSTQUSGXEFDRCZ-UHFFFAOYSA-N 2 2 382.470 3.949 20 0 GHADLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3nc(C)c(C)s3)CC2)c1C ZINC000091709452 911223697 /nfs/dbraw/zinc/22/36/97/911223697.db2.gz RGRHQFBFXUPGBM-UHFFFAOYSA-N 2 2 388.581 3.877 20 0 GHADLP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3nc(C)c(C)s3)CC2)c1C ZINC000091709452 911223715 /nfs/dbraw/zinc/22/37/15/911223715.db2.gz RGRHQFBFXUPGBM-UHFFFAOYSA-N 2 2 388.581 3.877 20 0 GHADLP Brc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(Br)s1 ZINC000641750062 911504264 /nfs/dbraw/zinc/50/42/64/911504264.db2.gz VTNRDKVYDFLJIF-VIFPVBQESA-N 2 2 391.132 3.574 20 0 GHADLP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3c[nH]c(-c4ccccc4)n3)cc2)CC1 ZINC000283833529 911664319 /nfs/dbraw/zinc/66/43/19/911664319.db2.gz FHBQEAFBOMWHAT-UHFFFAOYSA-N 2 2 376.504 3.840 20 0 GHADLP COc1ncc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1Cl ZINC000284491549 911891290 /nfs/dbraw/zinc/89/12/90/911891290.db2.gz VFHSYGQBWOKAAX-CQSZACIVSA-N 2 2 389.931 3.842 20 0 GHADLP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccnn1-c1cc[nH+]cc1 ZINC001182936835 912165992 /nfs/dbraw/zinc/16/59/92/912165992.db2.gz QJFDWMMZAUUZHF-UHFFFAOYSA-N 2 2 397.482 3.908 20 0 GHADLP Cc1c(O)ccc2c(C[NH+]3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)cc(=O)oc12 ZINC000303556403 914921576 /nfs/dbraw/zinc/92/15/76/914921576.db2.gz HSYKRVRXOZBBSS-FUHWJXTLSA-N 2 2 384.520 3.893 20 0 GHADLP Cc1c(O)ccc2c(C[NH+]3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc(=O)oc12 ZINC000303556403 914921583 /nfs/dbraw/zinc/92/15/83/914921583.db2.gz HSYKRVRXOZBBSS-FUHWJXTLSA-N 2 2 384.520 3.893 20 0 GHADLP Cc1c(O)ccc2c(C[N@H+]3CCC[C@@H](C[NH+]4CCCC[C@@H]4C)C3)cc(=O)oc12 ZINC000303556403 914921592 /nfs/dbraw/zinc/92/15/92/914921592.db2.gz HSYKRVRXOZBBSS-FUHWJXTLSA-N 2 2 384.520 3.893 20 0 GHADLP Cc1c(O)ccc2c(C[N@@H+]3CCC[C@@H](C[NH+]4CCCC[C@@H]4C)C3)cc(=O)oc12 ZINC000303556403 914921604 /nfs/dbraw/zinc/92/16/04/914921604.db2.gz HSYKRVRXOZBBSS-FUHWJXTLSA-N 2 2 384.520 3.893 20 0 GHADLP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000648031536 915489620 /nfs/dbraw/zinc/48/96/20/915489620.db2.gz VLMAILFCSBZBBM-KRWDZBQOSA-N 2 2 379.508 3.901 20 0 GHADLP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000648031536 915489631 /nfs/dbraw/zinc/48/96/31/915489631.db2.gz VLMAILFCSBZBBM-KRWDZBQOSA-N 2 2 379.508 3.901 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCc4cccnc43)CC2)cc1 ZINC000648751268 915860438 /nfs/dbraw/zinc/86/04/38/915860438.db2.gz CRCBEUKYXAGWDX-JOCHJYFZSA-N 2 2 378.520 3.672 20 0 GHADLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@H+](Cc3ccc(Cl)s3)CC2)C1=O ZINC001275695466 916080096 /nfs/dbraw/zinc/08/00/96/916080096.db2.gz QTFNLKRLAYKGGJ-LJQANCHMSA-N 2 2 392.956 3.540 20 0 GHADLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@@H+](Cc3ccc(Cl)s3)CC2)C1=O ZINC001275695466 916080115 /nfs/dbraw/zinc/08/01/15/916080115.db2.gz QTFNLKRLAYKGGJ-LJQANCHMSA-N 2 2 392.956 3.540 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190098744 917095485 /nfs/dbraw/zinc/09/54/85/917095485.db2.gz ZFYRVYGDXQXMEL-CVDCTZTESA-N 2 2 388.515 3.855 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190098744 917095497 /nfs/dbraw/zinc/09/54/97/917095497.db2.gz ZFYRVYGDXQXMEL-CVDCTZTESA-N 2 2 388.515 3.855 20 0 GHADLP CC1(C)CN(C(=O)CCCn2cc[nH+]c2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000650673079 917223644 /nfs/dbraw/zinc/22/36/44/917223644.db2.gz OCRLVZHMIGJGPR-HSZRJFAPSA-N 2 2 394.563 3.813 20 0 GHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000295600657 917375713 /nfs/dbraw/zinc/37/57/13/917375713.db2.gz CVEPXKNDIWDUMY-UHFFFAOYSA-N 2 2 382.895 3.652 20 0 GHADLP CC(C)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(F)cc1 ZINC000652198405 917837614 /nfs/dbraw/zinc/83/76/14/917837614.db2.gz FWCVLKCDIXJRGJ-VTHDOGFWSA-N 2 2 375.532 3.586 20 0 GHADLP CC(C)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(F)cc1 ZINC000652198405 917837624 /nfs/dbraw/zinc/83/76/24/917837624.db2.gz FWCVLKCDIXJRGJ-VTHDOGFWSA-N 2 2 375.532 3.586 20 0 GHADLP CC[C@H](C)[N@H+](CCc1c[nH+]cn1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000297597035 919476512 /nfs/dbraw/zinc/47/65/12/919476512.db2.gz FPGLSCWMWSVPDR-AWEZNQCLSA-N 2 2 382.430 3.721 20 0 GHADLP CC(C)(C)OC(=O)Nc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000800513368 920225475 /nfs/dbraw/zinc/22/54/75/920225475.db2.gz YPGNPUUFSRJZBJ-WMLDXEAASA-N 2 2 392.569 3.939 20 0 GHADLP CC(C)(C)OC(=O)Nc1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000800513368 920225489 /nfs/dbraw/zinc/22/54/89/920225489.db2.gz YPGNPUUFSRJZBJ-WMLDXEAASA-N 2 2 392.569 3.939 20 0 GHADLP CC(C)(C)OC(=O)Nc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000800513368 920225495 /nfs/dbraw/zinc/22/54/95/920225495.db2.gz YPGNPUUFSRJZBJ-WMLDXEAASA-N 2 2 392.569 3.939 20 0 GHADLP CC(C)(C)OC(=O)Nc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000800513368 920225502 /nfs/dbraw/zinc/22/55/02/920225502.db2.gz YPGNPUUFSRJZBJ-WMLDXEAASA-N 2 2 392.569 3.939 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccsc1 ZINC000298516222 920618130 /nfs/dbraw/zinc/61/81/30/920618130.db2.gz OFBQAUBXBZUEJD-HXUWFJFHSA-N 2 2 382.533 3.806 20 0 GHADLP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365642298 921041265 /nfs/dbraw/zinc/04/12/65/921041265.db2.gz WBJKIXPEOURDKJ-KRWDZBQOSA-N 2 2 394.475 3.631 20 0 GHADLP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365642298 921041279 /nfs/dbraw/zinc/04/12/79/921041279.db2.gz WBJKIXPEOURDKJ-KRWDZBQOSA-N 2 2 394.475 3.631 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000367620893 922234296 /nfs/dbraw/zinc/23/42/96/922234296.db2.gz YWNZWZPSTUYMHT-MRXNPFEDSA-N 2 2 388.556 3.908 20 0 GHADLP COc1cc([C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1OCCO ZINC000902762315 922478535 /nfs/dbraw/zinc/47/85/35/922478535.db2.gz LAQOSHRQJFXBRX-SJORKVTESA-N 2 2 381.476 3.664 20 0 GHADLP COCCC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)cc1 ZINC000368105851 922479212 /nfs/dbraw/zinc/47/92/12/922479212.db2.gz XPBZTKKHJOKDOP-JKSUJKDBSA-N 2 2 378.314 3.787 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000802864479 922486445 /nfs/dbraw/zinc/48/64/45/922486445.db2.gz FCMRFGVPLHWHHH-WBADGQHESA-N 2 2 383.580 3.586 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000802864479 922486452 /nfs/dbraw/zinc/48/64/52/922486452.db2.gz FCMRFGVPLHWHHH-WBADGQHESA-N 2 2 383.580 3.586 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000802864477 922486778 /nfs/dbraw/zinc/48/67/78/922486778.db2.gz FCMRFGVPLHWHHH-BJESRGMDSA-N 2 2 383.580 3.586 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000802864477 922486789 /nfs/dbraw/zinc/48/67/89/922486789.db2.gz FCMRFGVPLHWHHH-BJESRGMDSA-N 2 2 383.580 3.586 20 0 GHADLP Cn1c[nH+]cc1CCOc1ccc2cc(OCCc3c[nH+]cn3C)ccc2c1 ZINC000902827189 922535026 /nfs/dbraw/zinc/53/50/26/922535026.db2.gz SCXRXGWMVNTMGY-UHFFFAOYSA-N 2 2 376.460 3.550 20 0 GHADLP C[NH+](C)CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1cccnc1 ZINC000903380531 922978019 /nfs/dbraw/zinc/97/80/19/922978019.db2.gz NFMLXXFCSUUVSY-NXEWRWPSSA-N 2 2 388.556 3.595 20 0 GHADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1Cl ZINC000369470867 923359317 /nfs/dbraw/zinc/35/93/17/923359317.db2.gz XHUZDTKPJKVGGR-UONOGXRCSA-N 2 2 399.366 3.522 20 0 GHADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1Cl ZINC000369470867 923359328 /nfs/dbraw/zinc/35/93/28/923359328.db2.gz XHUZDTKPJKVGGR-UONOGXRCSA-N 2 2 399.366 3.522 20 0 GHADLP Cc1cc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc(C)c1OCc1ccccn1 ZINC000903972947 923443676 /nfs/dbraw/zinc/44/36/76/923443676.db2.gz MNFNAYUDCLOVCV-JOCHJYFZSA-N 2 2 395.547 3.526 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000677653483 924440478 /nfs/dbraw/zinc/44/04/78/924440478.db2.gz AOANYHVQMJHGCA-IRXDYDNUSA-N 2 2 384.351 3.513 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000677653483 924440479 /nfs/dbraw/zinc/44/04/79/924440479.db2.gz AOANYHVQMJHGCA-IRXDYDNUSA-N 2 2 384.351 3.513 20 0 GHADLP O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000677737266 924473495 /nfs/dbraw/zinc/47/34/95/924473495.db2.gz RLLRUPMOEUPBEZ-HNNXBMFYSA-N 2 2 396.318 3.705 20 0 GHADLP C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000678241341 924683618 /nfs/dbraw/zinc/68/36/18/924683618.db2.gz SBJPHKDMDGHUTM-UHFFFAOYSA-N 2 2 377.532 3.675 20 0 GHADLP C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000678241341 924683625 /nfs/dbraw/zinc/68/36/25/924683625.db2.gz SBJPHKDMDGHUTM-UHFFFAOYSA-N 2 2 377.532 3.675 20 0 GHADLP CC(C)(C)[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc2ccccc2o1 ZINC000679387144 925118743 /nfs/dbraw/zinc/11/87/43/925118743.db2.gz YBEXFPQKRCJYLS-SIKLNZKXSA-N 2 2 385.552 3.516 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000680258105 925409357 /nfs/dbraw/zinc/40/93/57/925409357.db2.gz KKAUJISWWDVDOC-KRWDZBQOSA-N 2 2 382.508 3.653 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000680258105 925409359 /nfs/dbraw/zinc/40/93/59/925409359.db2.gz KKAUJISWWDVDOC-KRWDZBQOSA-N 2 2 382.508 3.653 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000680328084 925445041 /nfs/dbraw/zinc/44/50/41/925445041.db2.gz AFMRWINZBNNPSR-OKILXGFUSA-N 2 2 378.320 3.748 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000680328084 925445045 /nfs/dbraw/zinc/44/50/45/925445045.db2.gz AFMRWINZBNNPSR-OKILXGFUSA-N 2 2 378.320 3.748 20 0 GHADLP CN(C(=O)N[C@H](CC1CCC1)c1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218491 925764728 /nfs/dbraw/zinc/76/47/28/925764728.db2.gz FNCLNYZMGIUENZ-DHIUTWEWSA-N 2 2 398.595 3.728 20 0 GHADLP CN(C(=O)N[C@H](CC1CCC1)c1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218491 925764737 /nfs/dbraw/zinc/76/47/37/925764737.db2.gz FNCLNYZMGIUENZ-DHIUTWEWSA-N 2 2 398.595 3.728 20 0 GHADLP CN(C(=O)Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681986867 925974255 /nfs/dbraw/zinc/97/42/55/925974255.db2.gz FJOGJJNQZVSAQZ-QGZVFWFLSA-N 2 2 385.339 3.626 20 0 GHADLP CN(C(=O)Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681986867 925974259 /nfs/dbraw/zinc/97/42/59/925974259.db2.gz FJOGJJNQZVSAQZ-QGZVFWFLSA-N 2 2 385.339 3.626 20 0 GHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+]([C@H]4CCc5ccccc54)C3)CC2)nc1 ZINC000682069040 926001911 /nfs/dbraw/zinc/00/19/11/926001911.db2.gz IUIVUBXFUXHRSL-REWPJTCUSA-N 2 2 376.548 3.603 20 0 GHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+]([C@H]4CCc5ccccc54)C3)CC2)nc1 ZINC000682069040 926001919 /nfs/dbraw/zinc/00/19/19/926001919.db2.gz IUIVUBXFUXHRSL-REWPJTCUSA-N 2 2 376.548 3.603 20 0 GHADLP CC(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000682422538 926109215 /nfs/dbraw/zinc/10/92/15/926109215.db2.gz NDGYURKMJSIAAS-GOSISDBHSA-N 2 2 377.960 3.704 20 0 GHADLP CC(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000682422538 926109219 /nfs/dbraw/zinc/10/92/19/926109219.db2.gz NDGYURKMJSIAAS-GOSISDBHSA-N 2 2 377.960 3.704 20 0 GHADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@H+](Cc3csc(Cl)c3)CC2)C1=O ZINC001276208296 927446672 /nfs/dbraw/zinc/44/66/72/927446672.db2.gz VIMBKUZBKMFZDN-IBGZPJMESA-N 2 2 392.956 3.540 20 0 GHADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@@H+](Cc3csc(Cl)c3)CC2)C1=O ZINC001276208296 927446680 /nfs/dbraw/zinc/44/66/80/927446680.db2.gz VIMBKUZBKMFZDN-IBGZPJMESA-N 2 2 392.956 3.540 20 0 GHADLP Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c(N(C)C)[nH+]1 ZINC000750406835 927609743 /nfs/dbraw/zinc/60/97/43/927609743.db2.gz ZCIJQFCTJKPBCK-UHFFFAOYSA-N 2 2 389.931 3.705 20 0 GHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](C[C@@H]4CCc5ccccc54)C3)CC2)nc1 ZINC000780285343 927621275 /nfs/dbraw/zinc/62/12/75/927621275.db2.gz ITGNKZWKEKHUAM-GGAORHGYSA-N 2 2 390.575 3.646 20 0 GHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](C[C@@H]4CCc5ccccc54)C3)CC2)nc1 ZINC000780285343 927621280 /nfs/dbraw/zinc/62/12/80/927621280.db2.gz ITGNKZWKEKHUAM-GGAORHGYSA-N 2 2 390.575 3.646 20 0 GHADLP FC1(c2cccnc2)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000375361342 928213870 /nfs/dbraw/zinc/21/38/70/928213870.db2.gz JZXMHQYWGKUDNC-QFIPXVFZSA-N 2 2 383.511 3.633 20 0 GHADLP FC1(c2cccnc2)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000375361342 928213877 /nfs/dbraw/zinc/21/38/77/928213877.db2.gz JZXMHQYWGKUDNC-QFIPXVFZSA-N 2 2 383.511 3.633 20 0 GHADLP Clc1cc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc2c1OCCO2 ZINC000544188040 928908563 /nfs/dbraw/zinc/90/85/63/928908563.db2.gz NHSQRFUXSYVUTH-UHFFFAOYSA-N 2 2 375.881 3.691 20 0 GHADLP C[C@]1(Cc2ccccc2)CCN(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1=O ZINC000780446734 930522349 /nfs/dbraw/zinc/52/23/49/930522349.db2.gz DVBJNJMHCPURGV-XMMPIXPASA-N 2 2 394.563 3.814 20 0 GHADLP CC(C)c1ccc(C2(O)CCC([NH2+]C[C@]3([NH+](C)C)CCSC3)CC2)cc1 ZINC000781897281 931016379 /nfs/dbraw/zinc/01/63/79/931016379.db2.gz QTEXGXAGFGHXHH-ATKRNPRHSA-N 2 2 376.610 3.967 20 0 GHADLP CC1(C)C(=O)N(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)[C@H]1c1ccccc1 ZINC000782942216 931369900 /nfs/dbraw/zinc/36/99/00/931369900.db2.gz FGJYFFXKDIBNQS-NRFANRHFSA-N 2 2 380.536 3.943 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC000784508506 931918961 /nfs/dbraw/zinc/91/89/61/931918961.db2.gz CTGJESLJLLCNLN-HLAWJBBLSA-N 2 2 396.535 3.998 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC000784508506 931918964 /nfs/dbraw/zinc/91/89/64/931918964.db2.gz CTGJESLJLLCNLN-HLAWJBBLSA-N 2 2 396.535 3.998 20 0 GHADLP Cc1ccc([C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)c2ccccn2)cc1 ZINC000926434385 932179722 /nfs/dbraw/zinc/17/97/22/932179722.db2.gz CVGSZYCKPLLYMW-DEOSSOPVSA-N 2 2 390.531 3.995 20 0 GHADLP Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)nc(C(C)C)[nH+]1 ZINC000558974380 932348462 /nfs/dbraw/zinc/34/84/62/932348462.db2.gz WXZWLUFRPPKQKH-NRFANRHFSA-N 2 2 394.563 3.671 20 0 GHADLP Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)nc(C(C)C)[nH+]1 ZINC000558974380 932348469 /nfs/dbraw/zinc/34/84/69/932348469.db2.gz WXZWLUFRPPKQKH-NRFANRHFSA-N 2 2 394.563 3.671 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001116046449 933304147 /nfs/dbraw/zinc/30/41/47/933304147.db2.gz GISKRXIZNARLMK-OAHLLOKOSA-N 2 2 398.378 3.556 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001116046449 933304160 /nfs/dbraw/zinc/30/41/60/933304160.db2.gz GISKRXIZNARLMK-OAHLLOKOSA-N 2 2 398.378 3.556 20 0 GHADLP COCCc1ccc(OCCCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001116070944 933318474 /nfs/dbraw/zinc/31/84/74/933318474.db2.gz JWNWLVHQEWFWGY-UHFFFAOYSA-N 2 2 394.475 3.562 20 0 GHADLP Cc1nn(-c2ccccc2C)c(C)c1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001119517238 934363971 /nfs/dbraw/zinc/36/39/71/934363971.db2.gz PVHXOWCSHVGEIJ-UHFFFAOYSA-N 2 2 382.552 3.531 20 0 GHADLP COc1cccc(C[NH+]2CCC([NH2+]C[C@@H](O)c3ccc(F)cc3Cl)CC2)c1 ZINC001120468848 934466276 /nfs/dbraw/zinc/46/62/76/934466276.db2.gz OEAOWBWVHLNGFW-OAQYLSRUSA-N 2 2 392.902 3.775 20 0 GHADLP COc1cc(OC)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC000562214624 934763384 /nfs/dbraw/zinc/76/33/84/934763384.db2.gz SLNDEYUODRKPQS-WOJBJXKFSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC000562214624 934763386 /nfs/dbraw/zinc/76/33/86/934763386.db2.gz SLNDEYUODRKPQS-WOJBJXKFSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC000562214624 934763388 /nfs/dbraw/zinc/76/33/88/934763388.db2.gz SLNDEYUODRKPQS-WOJBJXKFSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC000562214624 934763391 /nfs/dbraw/zinc/76/33/91/934763391.db2.gz SLNDEYUODRKPQS-WOJBJXKFSA-N 2 2 396.531 3.666 20 0 GHADLP c1c2ccccc2sc1C[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001137686118 935713335 /nfs/dbraw/zinc/71/33/35/935713335.db2.gz BBXOUIOTZKYZFF-UHFFFAOYSA-N 2 2 379.533 3.614 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc(F)cc(C(F)(F)F)c4)C[C@H]3C2)cn1 ZINC001137862712 935832216 /nfs/dbraw/zinc/83/22/16/935832216.db2.gz AELFCVMVLPWZFZ-IAGOWNOFSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc(F)cc(C(F)(F)F)c4)C[C@H]3C2)cn1 ZINC001137862712 935832219 /nfs/dbraw/zinc/83/22/19/935832219.db2.gz AELFCVMVLPWZFZ-IAGOWNOFSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc(F)cc(C(F)(F)F)c4)C[C@H]3C2)cn1 ZINC001137862712 935832222 /nfs/dbraw/zinc/83/22/22/935832222.db2.gz AELFCVMVLPWZFZ-IAGOWNOFSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc(F)cc(C(F)(F)F)c4)C[C@H]3C2)cn1 ZINC001137862712 935832225 /nfs/dbraw/zinc/83/22/25/935832225.db2.gz AELFCVMVLPWZFZ-IAGOWNOFSA-N 2 2 396.432 3.532 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(F)c1F)CC2 ZINC001137869419 935835192 /nfs/dbraw/zinc/83/51/92/935835192.db2.gz NUMYDTGHIWMBPA-QGZVFWFLSA-N 2 2 394.437 3.952 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(F)c1F)CC2 ZINC001137869419 935835196 /nfs/dbraw/zinc/83/51/96/935835196.db2.gz NUMYDTGHIWMBPA-QGZVFWFLSA-N 2 2 394.437 3.952 20 0 GHADLP CC(C)C[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[NH2+][C@H](C)c1ccccc1 ZINC000545448614 1015883543 /nfs/dbraw/zinc/88/35/43/1015883543.db2.gz UGHYPNOCNANPBA-UYAOXDASSA-N 2 2 391.519 3.763 20 0 GHADLP CCOc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc(Br)c1OC(F)F ZINC000469863986 1016649720 /nfs/dbraw/zinc/64/97/20/1016649720.db2.gz DPSYPVYMAFZTEI-ZYHUDNBSSA-N 2 2 393.272 3.618 20 0 GHADLP CCOc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc(Br)c1OC(F)F ZINC000469863986 1016649725 /nfs/dbraw/zinc/64/97/25/1016649725.db2.gz DPSYPVYMAFZTEI-ZYHUDNBSSA-N 2 2 393.272 3.618 20 0 GHADLP CCc1csc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000557705838 1017031762 /nfs/dbraw/zinc/03/17/62/1017031762.db2.gz YCYAETSSACGSOH-QZTJIDSGSA-N 2 2 393.601 3.506 20 0 GHADLP CCc1csc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000557705838 1017031769 /nfs/dbraw/zinc/03/17/69/1017031769.db2.gz YCYAETSSACGSOH-QZTJIDSGSA-N 2 2 393.601 3.506 20 0 GHADLP CN(C(=O)NCC1C(C)(C)C1(C)C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001226964688 1032214270 /nfs/dbraw/zinc/21/42/70/1032214270.db2.gz WCDQMYGSCLESLE-RTBURBONSA-N 2 2 392.632 3.647 20 0 GHADLP CN(C(=O)NCC1C(C)(C)C1(C)C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001226964688 1032214285 /nfs/dbraw/zinc/21/42/85/1032214285.db2.gz WCDQMYGSCLESLE-RTBURBONSA-N 2 2 392.632 3.647 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001221293280 1032363930 /nfs/dbraw/zinc/36/39/30/1032363930.db2.gz CVNCVLMJMZJYNT-DBXWQHBBSA-N 2 2 392.613 3.647 20 0 GHADLP FC(F)(F)c1ccccc1C1CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC001155012628 1032379022 /nfs/dbraw/zinc/37/90/22/1032379022.db2.gz PRVTUDQMURDVRL-UHFFFAOYSA-N 2 2 390.453 3.894 20 0 GHADLP c1csc(-c2noc(-c3ccnc(-n4c[nH+]cc4C4CC[NH2+]CC4)c3)n2)c1 ZINC001155063623 1032398571 /nfs/dbraw/zinc/39/85/71/1032398571.db2.gz ULOHIIKTQFADAY-UHFFFAOYSA-N 2 2 378.461 3.513 20 0 GHADLP c1[nH+]cn(-c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)c1C1CC[NH2+]CC1 ZINC001155064933 1032400340 /nfs/dbraw/zinc/40/03/40/1032400340.db2.gz YJNXJKXWUDOFGZ-UHFFFAOYSA-N 2 2 390.487 3.837 20 0 GHADLP Clc1ccc(C[NH+]2CCCC2)c(N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)n1 ZINC001155096389 1032414493 /nfs/dbraw/zinc/41/44/93/1032414493.db2.gz RRIZNBZOSSTXSU-HXUWFJFHSA-N 2 2 382.939 3.750 20 0 GHADLP Clc1ccc(C[NH+]2CCCC2)c(N2CC[N@H+]3CCc4ccccc4[C@H]3C2)n1 ZINC001155096389 1032414497 /nfs/dbraw/zinc/41/44/97/1032414497.db2.gz RRIZNBZOSSTXSU-HXUWFJFHSA-N 2 2 382.939 3.750 20 0 GHADLP Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc(C2CC2)[nH+]1 ZINC001155362310 1032519306 /nfs/dbraw/zinc/51/93/06/1032519306.db2.gz PSHGTWGGYWCRIK-OAQYLSRUSA-N 3 2 391.563 3.576 20 0 GHADLP Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc(C2CC2)[nH+]1 ZINC001155362310 1032519313 /nfs/dbraw/zinc/51/93/13/1032519313.db2.gz PSHGTWGGYWCRIK-OAQYLSRUSA-N 3 2 391.563 3.576 20 0 GHADLP c1oc(-c2ccccc2)nc1C[NH+]1CCC(N[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925658600 1017129348 /nfs/dbraw/zinc/12/93/48/1017129348.db2.gz JKWPMVBJYTYSCD-NRFANRHFSA-N 2 2 380.536 3.570 20 0 GHADLP CC1(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000927083111 1017354095 /nfs/dbraw/zinc/35/40/95/1017354095.db2.gz DVKYNKVTEUQKCT-UHFFFAOYSA-N 2 2 392.547 3.787 20 0 GHADLP O=C(NC1C[NH+](C(c2ccccc2)c2ccccc2)C1)c1cccc2c[nH+]cn21 ZINC001155802009 1032713585 /nfs/dbraw/zinc/71/35/85/1032713585.db2.gz VVLMHSIFPDMRCC-UHFFFAOYSA-N 2 2 382.467 3.538 20 0 GHADLP Cc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C2CCCC2)cc1 ZINC000560582630 1017669050 /nfs/dbraw/zinc/66/90/50/1017669050.db2.gz FZEPWOGEPJPUJQ-IFBIMPTNSA-N 2 2 383.580 3.900 20 0 GHADLP Cc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C2CCCC2)cc1 ZINC000560582630 1017669053 /nfs/dbraw/zinc/66/90/53/1017669053.db2.gz FZEPWOGEPJPUJQ-IFBIMPTNSA-N 2 2 383.580 3.900 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)Cc3nnc(-c4ccco4)o3)cc2)C[C@H](C)O1 ZINC000930860150 1017890494 /nfs/dbraw/zinc/89/04/94/1017890494.db2.gz VSTXSFKEKISNQS-CALCHBBNSA-N 2 2 396.491 3.571 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3nnc(-c4ccco4)o3)cc2)C[C@H](C)O1 ZINC000930860150 1017890513 /nfs/dbraw/zinc/89/05/13/1017890513.db2.gz VSTXSFKEKISNQS-CALCHBBNSA-N 2 2 396.491 3.571 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3nnc(-c4ccco4)o3)cc2)C[C@H](C)O1 ZINC000930860150 1017890532 /nfs/dbraw/zinc/89/05/32/1017890532.db2.gz VSTXSFKEKISNQS-CALCHBBNSA-N 2 2 396.491 3.571 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3nnc(-c4ccco4)o3)cc2)C[C@H](C)O1 ZINC000930860150 1017890549 /nfs/dbraw/zinc/89/05/49/1017890549.db2.gz VSTXSFKEKISNQS-CALCHBBNSA-N 2 2 396.491 3.571 20 0 GHADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000686215701 1018920288 /nfs/dbraw/zinc/92/02/88/1018920288.db2.gz NDWBGIVIQGXOQG-PXNSSMCTSA-N 2 2 375.557 3.915 20 0 GHADLP CN(C)C(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC001204398313 1032825084 /nfs/dbraw/zinc/82/50/84/1032825084.db2.gz ZYRLIIXGTPZZOM-UHFFFAOYSA-N 2 2 385.596 3.749 20 0 GHADLP C[C@@H]([NH3+])c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000569807675 1019520648 /nfs/dbraw/zinc/52/06/48/1019520648.db2.gz RAPIUESUFDUOAS-OAHLLOKOSA-N 2 2 392.528 3.973 20 0 GHADLP C[C@@H]([NH3+])c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000569807675 1019520658 /nfs/dbraw/zinc/52/06/58/1019520658.db2.gz RAPIUESUFDUOAS-OAHLLOKOSA-N 2 2 392.528 3.973 20 0 GHADLP Cc1cc(F)c(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c(Cl)c1 ZINC000569932709 1019539457 /nfs/dbraw/zinc/53/94/57/1019539457.db2.gz WQDDAVQQZKYLRV-NRFANRHFSA-N 2 2 375.919 3.866 20 0 GHADLP COc1ccccc1[C@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000576417051 1020010058 /nfs/dbraw/zinc/01/00/58/1020010058.db2.gz NZTCJUWIZNLPLB-FCHUYYIVSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccccc1[C@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000576417051 1020010059 /nfs/dbraw/zinc/01/00/59/1020010059.db2.gz NZTCJUWIZNLPLB-FCHUYYIVSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccccc1[C@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000576417051 1020010076 /nfs/dbraw/zinc/01/00/76/1020010076.db2.gz NZTCJUWIZNLPLB-FCHUYYIVSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccccc1[C@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000576417051 1020010083 /nfs/dbraw/zinc/01/00/83/1020010083.db2.gz NZTCJUWIZNLPLB-FCHUYYIVSA-N 2 2 380.532 3.776 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC000158757978 1020027559 /nfs/dbraw/zinc/02/75/59/1020027559.db2.gz KSCFHGBNGTXUKJ-JOCHJYFZSA-N 2 2 382.508 3.705 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC000158757978 1020027572 /nfs/dbraw/zinc/02/75/72/1020027572.db2.gz KSCFHGBNGTXUKJ-JOCHJYFZSA-N 2 2 382.508 3.705 20 0 GHADLP C[C@H](Nc1cccc(N2CC[NH+](C)CC2)[nH+]1)c1ccc(Br)s1 ZINC001156100034 1032876733 /nfs/dbraw/zinc/87/67/33/1032876733.db2.gz QEVJHCYJUVSWBO-LBPRGKRZSA-N 2 2 381.343 3.831 20 0 GHADLP C[NH+](C)C1(CNc2ncc(OCc3ccccc3)cc2Cl)CC[NH+](C)CC1 ZINC001156184909 1032915684 /nfs/dbraw/zinc/91/56/84/1032915684.db2.gz IQPNFXFFWMTYSL-UHFFFAOYSA-N 2 2 388.943 3.752 20 0 GHADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000639378185 1021071971 /nfs/dbraw/zinc/07/19/71/1021071971.db2.gz DYEZJXJWOCMHMP-UHFFFAOYSA-N 2 2 383.536 3.975 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cn3cccc(F)c3n2)CC1 ZINC000677320138 1021816682 /nfs/dbraw/zinc/81/66/82/1021816682.db2.gz CWSPZKLONDIKBU-MRXNPFEDSA-N 2 2 399.489 3.605 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)s1 ZINC001140523861 1021915202 /nfs/dbraw/zinc/91/52/02/1021915202.db2.gz DHIFALUOULNPOE-GMLUQMLDSA-N 2 2 386.561 3.930 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)s1 ZINC001140523861 1021915205 /nfs/dbraw/zinc/91/52/05/1021915205.db2.gz DHIFALUOULNPOE-GMLUQMLDSA-N 2 2 386.561 3.930 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)s1 ZINC001140523861 1021915209 /nfs/dbraw/zinc/91/52/09/1021915209.db2.gz DHIFALUOULNPOE-GMLUQMLDSA-N 2 2 386.561 3.930 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)s1 ZINC001140523861 1021915215 /nfs/dbraw/zinc/91/52/15/1021915215.db2.gz DHIFALUOULNPOE-GMLUQMLDSA-N 2 2 386.561 3.930 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4ccc(F)cc4C)CC[C@@H]3C2)cs1 ZINC001140780171 1022506685 /nfs/dbraw/zinc/50/66/85/1022506685.db2.gz PVOGVYHFVFTONF-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4ccc(F)cc4C)CC[C@@H]3C2)cs1 ZINC001140780171 1022506699 /nfs/dbraw/zinc/50/66/99/1022506699.db2.gz PVOGVYHFVFTONF-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4ccc(F)cc4C)CC[C@@H]3C2)cs1 ZINC001140780171 1022506710 /nfs/dbraw/zinc/50/67/10/1022506710.db2.gz PVOGVYHFVFTONF-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4ccc(F)cc4C)CC[C@@H]3C2)cs1 ZINC001140780171 1022506722 /nfs/dbraw/zinc/50/67/22/1022506722.db2.gz PVOGVYHFVFTONF-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1csc2ccccc21)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000754732389 1022864584 /nfs/dbraw/zinc/86/45/84/1022864584.db2.gz CCRGBAMIOUEUSG-IRXDYDNUSA-N 2 2 394.544 3.684 20 0 GHADLP C[NH+]1CCC(Oc2cc[nH+]c(NC[C@@H](c3ccccc3)[NH+]3CCCC3)c2)CC1 ZINC001156531531 1033087917 /nfs/dbraw/zinc/08/79/17/1033087917.db2.gz WTEKHCFVLHTAOV-QFIPXVFZSA-N 3 2 380.536 3.804 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3C)CC2)c1 ZINC001140965893 1023027317 /nfs/dbraw/zinc/02/73/17/1023027317.db2.gz MXPQBKFGOVLJMJ-UHFFFAOYSA-N 2 2 381.398 3.619 20 0 GHADLP C[C@H](CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000755065878 1023055139 /nfs/dbraw/zinc/05/51/39/1023055139.db2.gz JSOZNPXEVMTPFO-RLLQIKCJSA-N 2 2 380.621 3.647 20 0 GHADLP C[C@H](CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000755065878 1023055143 /nfs/dbraw/zinc/05/51/43/1023055143.db2.gz JSOZNPXEVMTPFO-RLLQIKCJSA-N 2 2 380.621 3.647 20 0 GHADLP Cc1ccc(/C=C/c2nc(=S)n(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)[nH]2)o1 ZINC000755778248 1023374282 /nfs/dbraw/zinc/37/42/82/1023374282.db2.gz FIQCQIGJFQUVTO-FUTAKVPZSA-N 2 2 387.553 3.634 20 0 GHADLP Cc1ccc(/C=C/c2nc(=S)n(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)[nH]2)o1 ZINC000755778248 1023374291 /nfs/dbraw/zinc/37/42/91/1023374291.db2.gz FIQCQIGJFQUVTO-FUTAKVPZSA-N 2 2 387.553 3.634 20 0 GHADLP COc1ccccc1-c1nn(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(=S)o1 ZINC000755781323 1023375468 /nfs/dbraw/zinc/37/54/68/1023375468.db2.gz UIDWAJKTLNLONV-INIZCTEOSA-N 2 2 388.537 3.502 20 0 GHADLP COc1ccccc1-c1nn(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(=S)o1 ZINC000755781323 1023375479 /nfs/dbraw/zinc/37/54/79/1023375479.db2.gz UIDWAJKTLNLONV-INIZCTEOSA-N 2 2 388.537 3.502 20 0 GHADLP CN(C(=O)NC[C@H]1CCCC1(C)C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001228897203 1033166280 /nfs/dbraw/zinc/16/62/80/1033166280.db2.gz WOYXCCSHTRHCAB-NRSPTQNISA-N 2 2 392.632 3.791 20 0 GHADLP CN(C(=O)NC[C@H]1CCCC1(C)C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001228897203 1033166285 /nfs/dbraw/zinc/16/62/85/1033166285.db2.gz WOYXCCSHTRHCAB-NRSPTQNISA-N 2 2 392.632 3.791 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(F)c1 ZINC001204921785 1033166995 /nfs/dbraw/zinc/16/69/95/1033166995.db2.gz AMPIKAFBYJFWTQ-AMHTUMDSSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(F)c1 ZINC001204921785 1033167009 /nfs/dbraw/zinc/16/70/09/1033167009.db2.gz AMPIKAFBYJFWTQ-AMHTUMDSSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(F)c1 ZINC001204921785 1033167016 /nfs/dbraw/zinc/16/70/16/1033167016.db2.gz AMPIKAFBYJFWTQ-AMHTUMDSSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(F)c1 ZINC001204921785 1033167023 /nfs/dbraw/zinc/16/70/23/1033167023.db2.gz AMPIKAFBYJFWTQ-AMHTUMDSSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc2nccc(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)c2c1 ZINC001141148441 1023970696 /nfs/dbraw/zinc/97/06/96/1023970696.db2.gz RWRKYQUNWJDOOG-HDICACEKSA-N 2 2 379.529 3.869 20 0 GHADLP COc1ccc2nccc(C[N@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)c2c1 ZINC001141148441 1023970697 /nfs/dbraw/zinc/97/06/97/1023970697.db2.gz RWRKYQUNWJDOOG-HDICACEKSA-N 2 2 379.529 3.869 20 0 GHADLP COc1ccc2nccc(C[NH+]3C[C@@H]4C[N@H+](Cc5cccs5)C[C@@H]4C3)c2c1 ZINC001141148441 1023970701 /nfs/dbraw/zinc/97/07/01/1023970701.db2.gz RWRKYQUNWJDOOG-HDICACEKSA-N 2 2 379.529 3.869 20 0 GHADLP COc1ccc2nccc(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccs5)C[C@@H]4C3)c2c1 ZINC001141148441 1023970711 /nfs/dbraw/zinc/97/07/11/1023970711.db2.gz RWRKYQUNWJDOOG-HDICACEKSA-N 2 2 379.529 3.869 20 0 GHADLP Fc1ccc(-c2cccc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)n2)cc1 ZINC001141207401 1024132729 /nfs/dbraw/zinc/13/27/29/1024132729.db2.gz YVWTWPXVZRJCEI-PMACEKPBSA-N 2 2 388.490 3.847 20 0 GHADLP [NH3+]CC1CC[NH+](Cc2c(F)ccc(Br)c2Br)CC1 ZINC001205058481 1033229586 /nfs/dbraw/zinc/22/95/86/1033229586.db2.gz NPBLJTHEZSLYTC-UHFFFAOYSA-N 2 2 380.099 3.521 20 0 GHADLP CSc1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001138704247 1025229365 /nfs/dbraw/zinc/22/93/65/1025229365.db2.gz YSDORXKGDLABPJ-UHOSZYNNSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001138704247 1025229370 /nfs/dbraw/zinc/22/93/70/1025229370.db2.gz YSDORXKGDLABPJ-UHOSZYNNSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001138704247 1025229378 /nfs/dbraw/zinc/22/93/78/1025229378.db2.gz YSDORXKGDLABPJ-UHOSZYNNSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001138704247 1025229384 /nfs/dbraw/zinc/22/93/84/1025229384.db2.gz YSDORXKGDLABPJ-UHOSZYNNSA-N 2 2 388.606 3.993 20 0 GHADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)C[C@H](C)O1 ZINC001461014249 1069336497 /nfs/dbraw/zinc/33/64/97/1069336497.db2.gz SCFYCRUBJFQRKR-OALUTQOASA-N 2 2 386.511 3.994 20 0 GHADLP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001141601328 1025825542 /nfs/dbraw/zinc/82/55/42/1025825542.db2.gz KYCYDIJQHYAMHN-LPHOPBHVSA-N 2 2 395.950 3.853 20 0 GHADLP CC(C)[N@H+]1CCC[C@H](C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001141601328 1025825561 /nfs/dbraw/zinc/82/55/61/1025825561.db2.gz KYCYDIJQHYAMHN-LPHOPBHVSA-N 2 2 395.950 3.853 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4nsnc4c3)C[C@@H]21 ZINC001139212541 1026063223 /nfs/dbraw/zinc/06/32/23/1026063223.db2.gz GXZXUZSSKAVDFI-LQBOVUBWSA-N 2 2 393.560 3.819 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4nsnc4c3)C[C@@H]21 ZINC001139212541 1026063241 /nfs/dbraw/zinc/06/32/41/1026063241.db2.gz GXZXUZSSKAVDFI-LQBOVUBWSA-N 2 2 393.560 3.819 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4nsnc4c3)C[C@@H]21 ZINC001139212541 1026063251 /nfs/dbraw/zinc/06/32/51/1026063251.db2.gz GXZXUZSSKAVDFI-LQBOVUBWSA-N 2 2 393.560 3.819 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4nsnc4c3)C[C@@H]21 ZINC001139212541 1026063259 /nfs/dbraw/zinc/06/32/59/1026063259.db2.gz GXZXUZSSKAVDFI-LQBOVUBWSA-N 2 2 393.560 3.819 20 0 GHADLP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC001139221835 1026077350 /nfs/dbraw/zinc/07/73/50/1026077350.db2.gz STQAROYUKRDTSD-UHFFFAOYSA-N 2 2 379.851 3.747 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@H+](Cc3ccccn3)C3CCCCC3)s2)CC1 ZINC001139324046 1026182460 /nfs/dbraw/zinc/18/24/60/1026182460.db2.gz XURUCCRKGHMHHE-UHFFFAOYSA-N 2 2 385.581 3.625 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@@H+](Cc3ccccn3)C3CCCCC3)s2)CC1 ZINC001139324046 1026182468 /nfs/dbraw/zinc/18/24/68/1026182468.db2.gz XURUCCRKGHMHHE-UHFFFAOYSA-N 2 2 385.581 3.625 20 0 GHADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC001139422389 1026292379 /nfs/dbraw/zinc/29/23/79/1026292379.db2.gz DCRULJFLJDPLQK-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC001139422389 1026292391 /nfs/dbraw/zinc/29/23/91/1026292391.db2.gz DCRULJFLJDPLQK-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP CN(C)c1ccc(C[NH+]2CCC3(CCn4c(-c5ccccc5)c[nH+]c43)CC2)cn1 ZINC001139454666 1026318886 /nfs/dbraw/zinc/31/88/86/1026318886.db2.gz BIAHEQRVKANVOT-UHFFFAOYSA-N 2 2 387.531 3.949 20 0 GHADLP COc1cc2[nH+]c(N3CCC(COCC[NH+]4CCCC4)CC3)ccc2c(OC)c1 ZINC001163882378 1026350580 /nfs/dbraw/zinc/35/05/80/1026350580.db2.gz CMTJBBJEZXEZDD-UHFFFAOYSA-N 2 2 399.535 3.581 20 0 GHADLP CCOC(=O)Cc1cc[nH+]c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1C ZINC001164486347 1026525843 /nfs/dbraw/zinc/52/58/43/1026525843.db2.gz NGSWKBXEDFTFQY-YPAWHYETSA-N 2 2 393.531 3.818 20 0 GHADLP CCOC(=O)Cc1cc[nH+]c(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1C ZINC001164486347 1026525850 /nfs/dbraw/zinc/52/58/50/1026525850.db2.gz NGSWKBXEDFTFQY-YPAWHYETSA-N 2 2 393.531 3.818 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cnc3cccnc3c1)CC2 ZINC001139738426 1026578435 /nfs/dbraw/zinc/57/84/35/1026578435.db2.gz DUVJOLSISJJETN-UHFFFAOYSA-N 2 2 391.519 3.865 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cnc3cccnc3c1)CC2 ZINC001139738426 1026578440 /nfs/dbraw/zinc/57/84/40/1026578440.db2.gz DUVJOLSISJJETN-UHFFFAOYSA-N 2 2 391.519 3.865 20 0 GHADLP C[N@H+](CCNCc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)C1CCCCC1 ZINC001461118785 1069400063 /nfs/dbraw/zinc/40/00/63/1069400063.db2.gz YLZRPNQVUMAMJT-UHFFFAOYSA-N 2 2 390.959 3.970 20 0 GHADLP C[N@@H+](CCNCc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)C1CCCCC1 ZINC001461118785 1069400072 /nfs/dbraw/zinc/40/00/72/1069400072.db2.gz YLZRPNQVUMAMJT-UHFFFAOYSA-N 2 2 390.959 3.970 20 0 GHADLP O=C(CC[NH2+]C1CCC2(CCCCC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001461122388 1069401855 /nfs/dbraw/zinc/40/18/55/1069401855.db2.gz YZSHUEHWAZQWKG-UHFFFAOYSA-N 2 2 384.568 3.603 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(F)c4ccccc34)CC2)C1 ZINC001139893298 1026707940 /nfs/dbraw/zinc/70/79/40/1026707940.db2.gz OGHQHNHYXSXDSR-SFHVURJKSA-N 2 2 384.495 3.828 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(F)c4ccccc34)CC2)C1 ZINC001139893298 1026707952 /nfs/dbraw/zinc/70/79/52/1026707952.db2.gz OGHQHNHYXSXDSR-SFHVURJKSA-N 2 2 384.495 3.828 20 0 GHADLP CCCN(CCC)c1cc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc[nH+]1 ZINC001165671187 1026792388 /nfs/dbraw/zinc/79/23/88/1026792388.db2.gz YDEBQKGJJGCTQT-GOSISDBHSA-N 2 2 389.588 3.619 20 0 GHADLP CCCN(CCC)c1cc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)[nH+]cn1 ZINC001165671187 1026792401 /nfs/dbraw/zinc/79/24/01/1026792401.db2.gz YDEBQKGJJGCTQT-GOSISDBHSA-N 2 2 389.588 3.619 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001140022189 1026807714 /nfs/dbraw/zinc/80/77/14/1026807714.db2.gz AHSBFTNRDITJEK-VQIMIIECSA-N 2 2 384.524 3.916 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001140022189 1026807727 /nfs/dbraw/zinc/80/77/27/1026807727.db2.gz AHSBFTNRDITJEK-VQIMIIECSA-N 2 2 384.524 3.916 20 0 GHADLP COC(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1-n1cc[nH+]c1C)CC2 ZINC001140023621 1026809333 /nfs/dbraw/zinc/80/93/33/1026809333.db2.gz SZLSDEQBXNOXIG-UHFFFAOYSA-N 2 2 382.508 3.625 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(N2Cc3ccccc3C2=O)CC1 ZINC001140027255 1026815435 /nfs/dbraw/zinc/81/54/35/1026815435.db2.gz FBJMSPIZCJWFGT-UHFFFAOYSA-N 2 2 386.499 3.801 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C(=O)C2(CCC2)[C@H]1c1ccccc1 ZINC000840055360 1027123325 /nfs/dbraw/zinc/12/33/25/1027123325.db2.gz NIVOXPGFTPBHGW-OAQYLSRUSA-N 2 2 380.536 3.869 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C(=O)C2(CCC2)[C@H]1c1ccccc1 ZINC000840055360 1027123333 /nfs/dbraw/zinc/12/33/33/1027123333.db2.gz NIVOXPGFTPBHGW-OAQYLSRUSA-N 2 2 380.536 3.869 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)[C@H]1c1ccc(F)cc1 ZINC001209729339 1027124696 /nfs/dbraw/zinc/12/46/96/1027124696.db2.gz YCMMFMKBMBTGIA-PZJWPPBQSA-N 2 2 397.498 3.778 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)[C@H]1c1ccc(F)cc1 ZINC001209729339 1027124705 /nfs/dbraw/zinc/12/47/05/1027124705.db2.gz YCMMFMKBMBTGIA-PZJWPPBQSA-N 2 2 397.498 3.778 20 0 GHADLP OC1(C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)CCCCCC1 ZINC001461228849 1069452827 /nfs/dbraw/zinc/45/28/27/1069452827.db2.gz YSXLCAGDRPRQKD-UHFFFAOYSA-N 2 2 377.916 3.790 20 0 GHADLP COc1cc(OC)c(OC)cc1C[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001203501853 1027387061 /nfs/dbraw/zinc/38/70/61/1027387061.db2.gz NNNZWGLAPUVOMZ-UHFFFAOYSA-N 2 2 376.541 3.941 20 0 GHADLP COc1cc(OC)c(OC)cc1C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001203501853 1027387073 /nfs/dbraw/zinc/38/70/73/1027387073.db2.gz NNNZWGLAPUVOMZ-UHFFFAOYSA-N 2 2 376.541 3.941 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)cc(OC)c1OC ZINC001203844604 1027651314 /nfs/dbraw/zinc/65/13/14/1027651314.db2.gz XGBNQPVQAXAUQN-NHCUHLMSSA-N 2 2 396.531 3.585 20 0 GHADLP COc1cc(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)cc(OC)c1 ZINC001203854097 1027661148 /nfs/dbraw/zinc/66/11/48/1027661148.db2.gz GUGIHCBRPALTMO-UHFFFAOYSA-N 2 2 399.535 3.939 20 0 GHADLP COc1cc(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)cc(OC)c1 ZINC001203854097 1027661155 /nfs/dbraw/zinc/66/11/55/1027661155.db2.gz GUGIHCBRPALTMO-UHFFFAOYSA-N 2 2 399.535 3.939 20 0 GHADLP Cc1ccsc1C[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001204021355 1027811508 /nfs/dbraw/zinc/81/15/08/1027811508.db2.gz QLQZXHJHNDJPAM-SJLPKXTDSA-N 2 2 377.579 3.544 20 0 GHADLP Cc1ccsc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001204021355 1027811524 /nfs/dbraw/zinc/81/15/24/1027811524.db2.gz QLQZXHJHNDJPAM-SJLPKXTDSA-N 2 2 377.579 3.544 20 0 GHADLP Cc1ccsc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001204021355 1027811552 /nfs/dbraw/zinc/81/15/52/1027811552.db2.gz QLQZXHJHNDJPAM-SJLPKXTDSA-N 2 2 377.579 3.544 20 0 GHADLP Cc1ccsc1C[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001204021355 1027811577 /nfs/dbraw/zinc/81/15/77/1027811577.db2.gz QLQZXHJHNDJPAM-SJLPKXTDSA-N 2 2 377.579 3.544 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccnc4ccccc34)CC[C@@H]21 ZINC001204085399 1027863688 /nfs/dbraw/zinc/86/36/88/1027863688.db2.gz XNANKLPLFSWXHY-DPLHUUCSSA-N 2 2 389.547 3.805 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccnc4ccccc34)CC[C@@H]21 ZINC001204085399 1027863710 /nfs/dbraw/zinc/86/37/10/1027863710.db2.gz XNANKLPLFSWXHY-DPLHUUCSSA-N 2 2 389.547 3.805 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccnc4ccccc34)CC[C@@H]21 ZINC001204085399 1027863728 /nfs/dbraw/zinc/86/37/28/1027863728.db2.gz XNANKLPLFSWXHY-DPLHUUCSSA-N 2 2 389.547 3.805 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccnc4ccccc34)CC[C@@H]21 ZINC001204085399 1027863747 /nfs/dbraw/zinc/86/37/47/1027863747.db2.gz XNANKLPLFSWXHY-DPLHUUCSSA-N 2 2 389.547 3.805 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000841065475 1028082387 /nfs/dbraw/zinc/08/23/87/1028082387.db2.gz PSNVNTSCRLPBRZ-QYZOEREBSA-N 2 2 376.447 3.796 20 0 GHADLP Cc1noc(-c2ccc(C[NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)cc2)n1 ZINC001461423580 1069543890 /nfs/dbraw/zinc/54/38/90/1069543890.db2.gz AGYSQLKQXXTNFU-UHFFFAOYSA-N 2 2 394.494 3.981 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3c(C)ccc4ccccc43)C2)C1 ZINC001142375697 1028781302 /nfs/dbraw/zinc/78/13/02/1028781302.db2.gz KBXNYLHKGPTDCX-DEOSSOPVSA-N 2 2 382.548 3.709 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3c(C)ccc4ccccc43)C2)C1 ZINC001142375697 1028781320 /nfs/dbraw/zinc/78/13/20/1028781320.db2.gz KBXNYLHKGPTDCX-DEOSSOPVSA-N 2 2 382.548 3.709 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3c(C)ccc4ccccc43)C2)C1 ZINC001142375697 1028781335 /nfs/dbraw/zinc/78/13/35/1028781335.db2.gz KBXNYLHKGPTDCX-DEOSSOPVSA-N 2 2 382.548 3.709 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3c(C)ccc4ccccc43)C2)C1 ZINC001142375697 1028781354 /nfs/dbraw/zinc/78/13/54/1028781354.db2.gz KBXNYLHKGPTDCX-DEOSSOPVSA-N 2 2 382.548 3.709 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)N(C)C2CCC([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000841866192 1028981645 /nfs/dbraw/zinc/98/16/45/1028981645.db2.gz FHQYRGAXIGKPIO-FUICEZJUSA-N 2 2 396.938 3.526 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)N(C)C2CCC([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000841866192 1028981648 /nfs/dbraw/zinc/98/16/48/1028981648.db2.gz FHQYRGAXIGKPIO-FUICEZJUSA-N 2 2 396.938 3.526 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1Nc1ccc(OCCC[NH+](C)C)cc1 ZINC001215549650 1029274163 /nfs/dbraw/zinc/27/41/63/1029274163.db2.gz PQNMOPMQFXDCSV-UHFFFAOYSA-N 2 2 399.535 3.602 20 0 GHADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cc(Br)cnc1Cl ZINC000842673287 1029477787 /nfs/dbraw/zinc/47/77/87/1029477787.db2.gz LOTATAHSACYQDP-UHFFFAOYSA-N 2 2 398.732 3.728 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2cn3ccc(Br)cc3n2)C2CCCC2)CC1 ZINC001143050379 1029815834 /nfs/dbraw/zinc/81/58/34/1029815834.db2.gz GVXVYJRELVKCCN-UHFFFAOYSA-N 2 2 391.357 3.936 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2cn3ccc(Br)cc3n2)C2CCCC2)CC1 ZINC001143050379 1029815841 /nfs/dbraw/zinc/81/58/41/1029815841.db2.gz GVXVYJRELVKCCN-UHFFFAOYSA-N 2 2 391.357 3.936 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2cn3c(cccc3Br)n2)C2CCCC2)CC1 ZINC001143084978 1029835284 /nfs/dbraw/zinc/83/52/84/1029835284.db2.gz SUWHGOCBCQGWRB-UHFFFAOYSA-N 2 2 391.357 3.936 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2cn3c(cccc3Br)n2)C2CCCC2)CC1 ZINC001143084978 1029835289 /nfs/dbraw/zinc/83/52/89/1029835289.db2.gz SUWHGOCBCQGWRB-UHFFFAOYSA-N 2 2 391.357 3.936 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000843362147 1029939574 /nfs/dbraw/zinc/93/95/74/1029939574.db2.gz SZVCHLAEQFZUDM-VYTWWXLVSA-N 2 2 397.950 3.890 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000843362147 1029939578 /nfs/dbraw/zinc/93/95/78/1029939578.db2.gz SZVCHLAEQFZUDM-VYTWWXLVSA-N 2 2 397.950 3.890 20 0 GHADLP COc1cc2c(cc1NC(=O)C[N@@H+]1C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C1)oc1ccccc12 ZINC000843367243 1029943611 /nfs/dbraw/zinc/94/36/11/1029943611.db2.gz BTOTVZNRYYSBHA-JCGIZDLHSA-N 2 2 393.487 3.592 20 0 GHADLP COc1cc2c(cc1NC(=O)C[N@H+]1C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C1)oc1ccccc12 ZINC000843367243 1029943617 /nfs/dbraw/zinc/94/36/17/1029943617.db2.gz BTOTVZNRYYSBHA-JCGIZDLHSA-N 2 2 393.487 3.592 20 0 GHADLP FC(F)(F)c1cc(Cl)c(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001222104550 1029965988 /nfs/dbraw/zinc/96/59/88/1029965988.db2.gz HUGVNOMKTZZWOJ-UHFFFAOYSA-N 2 2 382.257 3.540 20 0 GHADLP FC(F)(F)c1cc(Cl)c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001222104550 1029965991 /nfs/dbraw/zinc/96/59/91/1029965991.db2.gz HUGVNOMKTZZWOJ-UHFFFAOYSA-N 2 2 382.257 3.540 20 0 GHADLP CCOc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(Br)c1OC ZINC001461605685 1069636981 /nfs/dbraw/zinc/63/69/81/1069636981.db2.gz KVBAHOSFQVGXCZ-IAGOWNOFSA-N 2 2 397.357 3.963 20 0 GHADLP CCOc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc(Br)c1OC ZINC001461605685 1069636987 /nfs/dbraw/zinc/63/69/87/1069636987.db2.gz KVBAHOSFQVGXCZ-IAGOWNOFSA-N 2 2 397.357 3.963 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC001217116200 1030177205 /nfs/dbraw/zinc/17/72/05/1030177205.db2.gz IZIDLQQSONYAHH-UHFFFAOYSA-N 2 2 394.475 3.516 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC001217116200 1030177208 /nfs/dbraw/zinc/17/72/08/1030177208.db2.gz IZIDLQQSONYAHH-UHFFFAOYSA-N 2 2 394.475 3.516 20 0 GHADLP C[NH2+][C@@H](COCc1ccccc1)c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217717880 1030627554 /nfs/dbraw/zinc/62/75/54/1030627554.db2.gz QVPIYQYCLWNQTB-RTWAWAEBSA-N 2 2 392.503 3.536 20 0 GHADLP C[NH2+][C@@H](COCc1ccccc1)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217717880 1030627567 /nfs/dbraw/zinc/62/75/67/1030627567.db2.gz QVPIYQYCLWNQTB-RTWAWAEBSA-N 2 2 392.503 3.536 20 0 GHADLP C[N@H+](CC(=O)c1cccc(OC2CC3(C2)CC[NH2+]CC3)c1)Cc1ccccc1 ZINC001218104341 1030775315 /nfs/dbraw/zinc/77/53/15/1030775315.db2.gz MCUFVBSHBQTJOR-UHFFFAOYSA-N 2 2 378.516 3.912 20 0 GHADLP C[N@@H+](CC(=O)c1cccc(OC2CC3(C2)CC[NH2+]CC3)c1)Cc1ccccc1 ZINC001218104341 1030775335 /nfs/dbraw/zinc/77/53/35/1030775335.db2.gz MCUFVBSHBQTJOR-UHFFFAOYSA-N 2 2 378.516 3.912 20 0 GHADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001151970582 1031062127 /nfs/dbraw/zinc/06/21/27/1031062127.db2.gz SOYRQIRCLKUSQQ-QFIPXVFZSA-N 2 2 378.451 3.583 20 0 GHADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001151970582 1031062142 /nfs/dbraw/zinc/06/21/42/1031062142.db2.gz SOYRQIRCLKUSQQ-QFIPXVFZSA-N 2 2 378.451 3.583 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccc3sc(N)nc3c2)cc1 ZINC001219249524 1031324460 /nfs/dbraw/zinc/32/44/60/1031324460.db2.gz BFHVJXQISRXMKD-UHFFFAOYSA-N 2 2 397.548 3.514 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccc3sc(N)nc3c2)cc1 ZINC001219249524 1031324472 /nfs/dbraw/zinc/32/44/72/1031324472.db2.gz BFHVJXQISRXMKD-UHFFFAOYSA-N 2 2 397.548 3.514 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)C12CCC([NH3+])(CC1)CC2)c1ccc(Cl)cc1Cl ZINC001220532517 1031979655 /nfs/dbraw/zinc/97/96/55/1031979655.db2.gz HYWGLZGYKXQJNE-IVMQYODDSA-N 2 2 384.351 3.764 20 0 GHADLP CC(C)Oc1ccc(-c2ccc(C[N@@H+]3CCC(F)(F)[C@H](C[NH3+])C3)cn2)cc1 ZINC001205794783 1033577480 /nfs/dbraw/zinc/57/74/80/1033577480.db2.gz BISIFNYHRBMIQH-GOSISDBHSA-N 2 2 375.463 3.952 20 0 GHADLP CC(C)Oc1ccc(-c2ccc(C[N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)cn2)cc1 ZINC001205794783 1033577491 /nfs/dbraw/zinc/57/74/91/1033577491.db2.gz BISIFNYHRBMIQH-GOSISDBHSA-N 2 2 375.463 3.952 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc(OC)c1OCc1ccccc1 ZINC001206209425 1033763921 /nfs/dbraw/zinc/76/39/21/1033763921.db2.gz FGZKAZRYBNATBR-OALUTQOASA-N 2 2 388.483 3.544 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc(OC)c1OCc1ccccc1 ZINC001206209425 1033763934 /nfs/dbraw/zinc/76/39/34/1033763934.db2.gz FGZKAZRYBNATBR-OALUTQOASA-N 2 2 388.483 3.544 20 0 GHADLP COc1ccc(CN(c2nc(NC(C)C)c(C)c[nH+]2)C2CC[NH2+]CC2)cc1F ZINC001158004688 1033862681 /nfs/dbraw/zinc/86/26/81/1033862681.db2.gz OWZMHDBHMGAGLV-UHFFFAOYSA-N 2 2 387.503 3.512 20 0 GHADLP COc1ccc(-c2cc(C[NH+]3CCOCC3)ccc2OC)cc1C[NH+]1CCCC1 ZINC001206540256 1033898683 /nfs/dbraw/zinc/89/86/83/1033898683.db2.gz QNVHJEICPHUFDB-UHFFFAOYSA-N 2 2 396.531 3.799 20 0 GHADLP Fc1cc(C[NH+]2CCOCC2)ccc1-c1cccc2c1C1(C=C2)CC[NH2+]CC1 ZINC001206703986 1033950593 /nfs/dbraw/zinc/95/05/93/1033950593.db2.gz PESYOKKFXKCGLK-UHFFFAOYSA-N 2 2 378.491 3.973 20 0 GHADLP Fc1cc(C[NH+]2CCOCC2)ccc1-c1cccc2c1C1(CC2)CC[NH2+]CC1 ZINC001206704264 1033952080 /nfs/dbraw/zinc/95/20/80/1033952080.db2.gz UMYWSDQGDNUAOL-UHFFFAOYSA-N 2 2 380.507 3.892 20 0 GHADLP CC1(C)C[C@H](Nc2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@@](C)(C[NH3+])C1 ZINC001158264973 1033992553 /nfs/dbraw/zinc/99/25/53/1033992553.db2.gz DRCRNYJNWGJOLK-YADARESESA-N 2 2 393.579 3.991 20 0 GHADLP CC1(C)C[C@H](Nc2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@@](C)(C[NH3+])C1 ZINC001158264973 1033992560 /nfs/dbraw/zinc/99/25/60/1033992560.db2.gz DRCRNYJNWGJOLK-YADARESESA-N 2 2 393.579 3.991 20 0 GHADLP Cc1nn(C(=O)OC(C)(C)C)c(C)c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001206817004 1033997234 /nfs/dbraw/zinc/99/72/34/1033997234.db2.gz PEKWXBNEWFORET-KRWDZBQOSA-N 2 2 386.496 3.640 20 0 GHADLP Cc1nn(C(=O)OC(C)(C)C)c(C)c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001206817004 1033997238 /nfs/dbraw/zinc/99/72/38/1033997238.db2.gz PEKWXBNEWFORET-KRWDZBQOSA-N 2 2 386.496 3.640 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ncc5ccccn54)CC3)C2)cc1 ZINC001207051487 1034072588 /nfs/dbraw/zinc/07/25/88/1034072588.db2.gz MLVRZPPJFRFHFO-UHFFFAOYSA-N 2 2 390.531 3.510 20 0 GHADLP Cc1nc(N2CCCC2)cc(N(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)[nH+]1 ZINC001158445815 1034078697 /nfs/dbraw/zinc/07/86/97/1034078697.db2.gz KFZDZIQZIMSVIA-UHFFFAOYSA-N 2 2 383.515 3.625 20 0 GHADLP C[C@H]1CCCN(c2cc(N(Cc3ccc(F)cc3)C3CC[NH+](C)CC3)nc[nH+]2)C1 ZINC001158454495 1034086090 /nfs/dbraw/zinc/08/60/90/1034086090.db2.gz PXGMEVXHXWFWQR-SFHVURJKSA-N 2 2 397.542 3.953 20 0 GHADLP C[NH+]1CCN(c2cccc(N[C@@H](CCO)c3cccc4ccccc43)[nH+]2)CC1 ZINC001158509068 1034117198 /nfs/dbraw/zinc/11/71/98/1034117198.db2.gz HKVTVMZIXIJCEF-NRFANRHFSA-N 2 2 376.504 3.522 20 0 GHADLP CCc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)s1 ZINC001231502881 1034646229 /nfs/dbraw/zinc/64/62/29/1034646229.db2.gz CMBGXTFJAYGIRJ-INIZCTEOSA-N 2 2 393.597 3.874 20 0 GHADLP CCc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)s1 ZINC001231502881 1034646234 /nfs/dbraw/zinc/64/62/34/1034646234.db2.gz CMBGXTFJAYGIRJ-INIZCTEOSA-N 2 2 393.597 3.874 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](CC[C@@H](C)c3ccc(C)o3)CC2)CC1 ZINC001208158833 1034763463 /nfs/dbraw/zinc/76/34/63/1034763463.db2.gz CKBZULAPRFZIDS-QGZVFWFLSA-N 2 2 376.541 3.821 20 0 GHADLP COCCCOc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)ccc1OC ZINC001231610978 1034766571 /nfs/dbraw/zinc/76/65/71/1034766571.db2.gz WWONZCMBBVLONZ-UHFFFAOYSA-N 2 2 395.503 3.928 20 0 GHADLP COCCCOc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)ccc1OC ZINC001231610978 1034766586 /nfs/dbraw/zinc/76/65/86/1034766586.db2.gz WWONZCMBBVLONZ-UHFFFAOYSA-N 2 2 395.503 3.928 20 0 GHADLP CCC(CC)Nc1cc[nH+]cc1NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC001159872918 1034768599 /nfs/dbraw/zinc/76/85/99/1034768599.db2.gz VPDAFQCACMUNAX-UHFFFAOYSA-N 2 2 381.524 3.663 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@@H](C)Cc1ccc3c(c1)OCO3)[C@@H]2C ZINC001208213226 1034803712 /nfs/dbraw/zinc/80/37/12/1034803712.db2.gz HJFUQWZGZWIWDK-ZWKOTPCHSA-N 2 2 398.551 3.707 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@@H](C)Cc1ccc3c(c1)OCO3)[C@@H]2C ZINC001208213226 1034803720 /nfs/dbraw/zinc/80/37/20/1034803720.db2.gz HJFUQWZGZWIWDK-ZWKOTPCHSA-N 2 2 398.551 3.707 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@@H](C)Cc1ccc3c(c1)OCO3)[C@@H]2C ZINC001208213226 1034803744 /nfs/dbraw/zinc/80/37/44/1034803744.db2.gz HJFUQWZGZWIWDK-ZWKOTPCHSA-N 2 2 398.551 3.707 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H](CC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC001208232292 1034819829 /nfs/dbraw/zinc/81/98/29/1034819829.db2.gz DQZTZSCRJYJXML-GOSISDBHSA-N 2 2 389.540 3.962 20 0 GHADLP c1ccc(COCCOCC[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001208750899 1034997324 /nfs/dbraw/zinc/99/73/24/1034997324.db2.gz VPZYHXHBLLIEIN-UHFFFAOYSA-N 2 2 394.559 3.743 20 0 GHADLP c1ccc(COCCOCC[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001208750899 1034997328 /nfs/dbraw/zinc/99/73/28/1034997328.db2.gz VPZYHXHBLLIEIN-UHFFFAOYSA-N 2 2 394.559 3.743 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CC4(c5ccccc5)CCCC4)C[C@H]3C2)cn1 ZINC001208774695 1035013711 /nfs/dbraw/zinc/01/37/11/1035013711.db2.gz FBWVEXYGPJYYDC-FGZHOGPDSA-N 2 2 378.564 3.686 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CC4(c5ccccc5)CCCC4)C[C@H]3C2)cn1 ZINC001208774695 1035013719 /nfs/dbraw/zinc/01/37/19/1035013719.db2.gz FBWVEXYGPJYYDC-FGZHOGPDSA-N 2 2 378.564 3.686 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CC4(c5ccccc5)CCCC4)C[C@H]3C2)cn1 ZINC001208774695 1035013722 /nfs/dbraw/zinc/01/37/22/1035013722.db2.gz FBWVEXYGPJYYDC-FGZHOGPDSA-N 2 2 378.564 3.686 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CC4(c5ccccc5)CCCC4)C[C@H]3C2)cn1 ZINC001208774695 1035013730 /nfs/dbraw/zinc/01/37/30/1035013730.db2.gz FBWVEXYGPJYYDC-FGZHOGPDSA-N 2 2 378.564 3.686 20 0 GHADLP Cc1cccc(N2CCC[C@@]3(C2)C[N@H+](Cc2cc4c[nH+]ccc4[nH]2)CCO3)c1 ZINC001232014003 1035043619 /nfs/dbraw/zinc/04/36/19/1035043619.db2.gz XEXDNRITRVGWGN-QHCPKHFHSA-N 2 2 376.504 3.743 20 0 GHADLP Cc1cccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2cc4c[nH+]ccc4[nH]2)CCO3)c1 ZINC001232014003 1035043628 /nfs/dbraw/zinc/04/36/28/1035043628.db2.gz XEXDNRITRVGWGN-QHCPKHFHSA-N 2 2 376.504 3.743 20 0 GHADLP Brc1cccc(CN2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)c1 ZINC001232014919 1035045845 /nfs/dbraw/zinc/04/58/45/1035045845.db2.gz XZMPAIPQHIPFPM-UHFFFAOYSA-N 2 2 385.309 3.643 20 0 GHADLP CC[N@@H+](Cc1[nH]cc(C(=O)OC)c1C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC001461938404 1069903289 /nfs/dbraw/zinc/90/32/89/1069903289.db2.gz VRQGCZWOAMSYPP-UHFFFAOYSA-N 2 2 396.535 3.812 20 0 GHADLP CC[N@H+](Cc1[nH]cc(C(=O)OC)c1C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC001461938404 1069903291 /nfs/dbraw/zinc/90/32/91/1069903291.db2.gz VRQGCZWOAMSYPP-UHFFFAOYSA-N 2 2 396.535 3.812 20 0 GHADLP COC(=O)c1cccc2c1CC[N@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208942428 1035111947 /nfs/dbraw/zinc/11/19/47/1035111947.db2.gz IEMMGVVDJQDWCV-HXUWFJFHSA-N 2 2 378.516 3.744 20 0 GHADLP COC(=O)c1cccc2c1CC[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208942428 1035111956 /nfs/dbraw/zinc/11/19/56/1035111956.db2.gz IEMMGVVDJQDWCV-HXUWFJFHSA-N 2 2 378.516 3.744 20 0 GHADLP COC(=O)c1cccc2c1CC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208942428 1035111964 /nfs/dbraw/zinc/11/19/64/1035111964.db2.gz IEMMGVVDJQDWCV-HXUWFJFHSA-N 2 2 378.516 3.744 20 0 GHADLP COC(=O)c1cccc2c1CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208942428 1035111972 /nfs/dbraw/zinc/11/19/72/1035111972.db2.gz IEMMGVVDJQDWCV-HXUWFJFHSA-N 2 2 378.516 3.744 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](C[C@@H]4CC[N@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208946985 1035117439 /nfs/dbraw/zinc/11/74/39/1035117439.db2.gz SGNZWBPKZBYGPP-TWJOJJKGSA-N 3 2 389.587 3.881 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](C[C@@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208946985 1035117442 /nfs/dbraw/zinc/11/74/42/1035117442.db2.gz SGNZWBPKZBYGPP-TWJOJJKGSA-N 3 2 389.587 3.881 20 0 GHADLP FC(F)(F)c1nc([C@@H]2CCC[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)no1 ZINC001208950872 1035122457 /nfs/dbraw/zinc/12/24/57/1035122457.db2.gz XIGXZWVOHKWHGL-IAGOWNOFSA-N 2 2 394.441 3.790 20 0 GHADLP FC(F)(F)c1nc([C@@H]2CCC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)no1 ZINC001208950872 1035122462 /nfs/dbraw/zinc/12/24/62/1035122462.db2.gz XIGXZWVOHKWHGL-IAGOWNOFSA-N 2 2 394.441 3.790 20 0 GHADLP FC(F)(F)c1nc([C@@H]2CCC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)no1 ZINC001208950872 1035122466 /nfs/dbraw/zinc/12/24/66/1035122466.db2.gz XIGXZWVOHKWHGL-IAGOWNOFSA-N 2 2 394.441 3.790 20 0 GHADLP FC(F)(F)c1nc([C@@H]2CCC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)no1 ZINC001208950872 1035122469 /nfs/dbraw/zinc/12/24/69/1035122469.db2.gz XIGXZWVOHKWHGL-IAGOWNOFSA-N 2 2 394.441 3.790 20 0 GHADLP C[C@H]1C[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001208952120 1035124435 /nfs/dbraw/zinc/12/44/35/1035124435.db2.gz CJAODZZEHHVLSP-ZJOUEHCJSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@H]1C[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001208952120 1035124437 /nfs/dbraw/zinc/12/44/37/1035124437.db2.gz CJAODZZEHHVLSP-ZJOUEHCJSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@H]1C[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001208952120 1035124440 /nfs/dbraw/zinc/12/44/40/1035124440.db2.gz CJAODZZEHHVLSP-ZJOUEHCJSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@H]1C[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001208952120 1035124443 /nfs/dbraw/zinc/12/44/43/1035124443.db2.gz CJAODZZEHHVLSP-ZJOUEHCJSA-N 2 2 387.568 3.838 20 0 GHADLP CC[C@H]1C[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CCN1C(=O)OC(C)(C)C ZINC001232147181 1035125274 /nfs/dbraw/zinc/12/52/74/1035125274.db2.gz LEDWNYMZWBZWCV-IBGZPJMESA-N 2 2 379.520 3.719 20 0 GHADLP CC[C@H]1C[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CCN1C(=O)OC(C)(C)C ZINC001232147181 1035125280 /nfs/dbraw/zinc/12/52/80/1035125280.db2.gz LEDWNYMZWBZWCV-IBGZPJMESA-N 2 2 379.520 3.719 20 0 GHADLP Cc1c[nH+]c(NCC2CC[NH+](Cc3ccccc3F)CC2)nc1N1CCCC1 ZINC001161193052 1035173675 /nfs/dbraw/zinc/17/36/75/1035173675.db2.gz BOBVXKMQQTZVQV-UHFFFAOYSA-N 2 2 383.515 3.848 20 0 GHADLP CC(C)(C)OC(=O)NC1CC[NH+](C2CC[NH+](CCc3cccs3)CC2)CC1 ZINC001209229152 1035212095 /nfs/dbraw/zinc/21/20/95/1035212095.db2.gz YDPPRZFCRZORAU-UHFFFAOYSA-N 2 2 393.597 3.744 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CC2(F)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001209239797 1035216544 /nfs/dbraw/zinc/21/65/44/1035216544.db2.gz HYWRMSUOAXRXRM-KRWDZBQOSA-N 2 2 393.503 3.582 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CC2(F)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001209239797 1035216547 /nfs/dbraw/zinc/21/65/47/1035216547.db2.gz HYWRMSUOAXRXRM-KRWDZBQOSA-N 2 2 393.503 3.582 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CCc3ccc(F)c(F)c3)CC[C@@H]21 ZINC001209245122 1035219061 /nfs/dbraw/zinc/21/90/61/1035219061.db2.gz SJMHPHAXWZLDKP-DXIQSLLYSA-N 2 2 388.506 3.577 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CCc3ccc(F)c(F)c3)CC[C@@H]21 ZINC001209245122 1035219065 /nfs/dbraw/zinc/21/90/65/1035219065.db2.gz SJMHPHAXWZLDKP-DXIQSLLYSA-N 2 2 388.506 3.577 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](CCc3ccc(F)c(F)c3)CC[C@@H]21 ZINC001209245122 1035219068 /nfs/dbraw/zinc/21/90/68/1035219068.db2.gz SJMHPHAXWZLDKP-DXIQSLLYSA-N 2 2 388.506 3.577 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](CCc3ccc(F)c(F)c3)CC[C@@H]21 ZINC001209245122 1035219072 /nfs/dbraw/zinc/21/90/72/1035219072.db2.gz SJMHPHAXWZLDKP-DXIQSLLYSA-N 2 2 388.506 3.577 20 0 GHADLP CCOC(=O)CCCCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001209348824 1035248509 /nfs/dbraw/zinc/24/85/09/1035248509.db2.gz ORERCAMQGWUPLA-ROUUACIJSA-N 2 2 379.570 3.553 20 0 GHADLP CCOC(=O)CCCCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001209348824 1035248515 /nfs/dbraw/zinc/24/85/15/1035248515.db2.gz ORERCAMQGWUPLA-ROUUACIJSA-N 2 2 379.570 3.553 20 0 GHADLP CCOC(=O)CCCCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001209348824 1035248520 /nfs/dbraw/zinc/24/85/20/1035248520.db2.gz ORERCAMQGWUPLA-ROUUACIJSA-N 2 2 379.570 3.553 20 0 GHADLP CCOC(=O)CCCCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001209348824 1035248526 /nfs/dbraw/zinc/24/85/26/1035248526.db2.gz ORERCAMQGWUPLA-ROUUACIJSA-N 2 2 379.570 3.553 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCCCCCNC(=O)OC(C)(C)C)C1 ZINC001209360930 1035254067 /nfs/dbraw/zinc/25/40/67/1035254067.db2.gz LTQNDHFFRKDVPM-SFHVURJKSA-N 2 2 377.529 3.928 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C1 ZINC001209360930 1035254070 /nfs/dbraw/zinc/25/40/70/1035254070.db2.gz LTQNDHFFRKDVPM-SFHVURJKSA-N 2 2 377.529 3.928 20 0 GHADLP CC[C@@H](C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001209457520 1035278548 /nfs/dbraw/zinc/27/85/48/1035278548.db2.gz QPBMIBGVZQYVEW-IBGZPJMESA-N 2 2 375.557 3.886 20 0 GHADLP CC[C@@H](C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001209457520 1035278552 /nfs/dbraw/zinc/27/85/52/1035278552.db2.gz QPBMIBGVZQYVEW-IBGZPJMESA-N 2 2 375.557 3.886 20 0 GHADLP C[C@@H]1CC[N@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)CC[S@@]1=O ZINC001462084588 1069986419 /nfs/dbraw/zinc/98/64/19/1069986419.db2.gz CPAJVJJYSBZTJF-SNOBZRMMSA-N 2 2 376.610 3.768 20 0 GHADLP C[C@@H]1CC[N@@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)CC[S@@]1=O ZINC001462084588 1069986425 /nfs/dbraw/zinc/98/64/25/1069986425.db2.gz CPAJVJJYSBZTJF-SNOBZRMMSA-N 2 2 376.610 3.768 20 0 GHADLP C[C@@H]1CC[NH+](C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC[S@@]1=O ZINC001462084588 1069986427 /nfs/dbraw/zinc/98/64/27/1069986427.db2.gz CPAJVJJYSBZTJF-SNOBZRMMSA-N 2 2 376.610 3.768 20 0 GHADLP C[C@@H]1CC[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC[S@@]1=O ZINC001462084588 1069986431 /nfs/dbraw/zinc/98/64/31/1069986431.db2.gz CPAJVJJYSBZTJF-SNOBZRMMSA-N 2 2 376.610 3.768 20 0 GHADLP C[N@@H+]1CC[C@@H](c2ccc(-c3ccc(OCC[NH+]4CCOCC4)cc3F)cc2)C1 ZINC001244137731 1036392973 /nfs/dbraw/zinc/39/29/73/1036392973.db2.gz XQGDMNLZIKZIGM-HXUWFJFHSA-N 2 2 384.495 3.623 20 0 GHADLP C[N@H+]1CC[C@@H](c2ccc(-c3ccc(OCC[NH+]4CCOCC4)cc3F)cc2)C1 ZINC001244137731 1036392992 /nfs/dbraw/zinc/39/29/92/1036392992.db2.gz XQGDMNLZIKZIGM-HXUWFJFHSA-N 2 2 384.495 3.623 20 0 GHADLP CCCC[C@@H](CC)COC[C@@H](O)C[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246034127 1037149447 /nfs/dbraw/zinc/14/94/47/1037149447.db2.gz PWNSHOWIAKYHMW-GNLZIIPMSA-N 2 2 388.596 3.802 20 0 GHADLP CCCC[C@@H](CC)COC[C@@H](O)C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246034127 1037149457 /nfs/dbraw/zinc/14/94/57/1037149457.db2.gz PWNSHOWIAKYHMW-GNLZIIPMSA-N 2 2 388.596 3.802 20 0 GHADLP [NH3+]CCCC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)C(=O)OCc1ccccc1 ZINC001246191209 1037230534 /nfs/dbraw/zinc/23/05/34/1037230534.db2.gz LUQYRDQOKHFHAI-VJBWXMMDSA-N 2 2 396.531 3.737 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC[NH2+]1 ZINC001246239098 1037249465 /nfs/dbraw/zinc/24/94/65/1037249465.db2.gz INOUEXHMJBWXQD-GGAORHGYSA-N 2 2 378.495 3.962 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246288906 1037279609 /nfs/dbraw/zinc/27/96/09/1037279609.db2.gz HXYFWAFEVDRLRP-LOSJGSFVSA-N 3 2 377.576 3.646 20 0 GHADLP Ic1ccccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246323604 1037295985 /nfs/dbraw/zinc/29/59/85/1037295985.db2.gz JKUKNAWZMTVQAO-SJLPKXTDSA-N 2 2 392.284 3.874 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)c(Br)c1 ZINC001246354465 1037311386 /nfs/dbraw/zinc/31/13/86/1037311386.db2.gz LQIBLYHJLSERKH-INIZCTEOSA-N 2 2 395.341 3.780 20 0 GHADLP CCC[NH+]1CCC([NH2+]C2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CC1 ZINC001246432671 1037394016 /nfs/dbraw/zinc/39/40/16/1037394016.db2.gz ZVDDOKQXCUNHLJ-UHFFFAOYSA-N 3 2 383.502 3.834 20 0 GHADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)cc1 ZINC001246525223 1037458138 /nfs/dbraw/zinc/45/81/38/1037458138.db2.gz MQNFMRBFEYVMIV-VQIMIIECSA-N 2 2 393.314 3.927 20 0 GHADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001246579843 1037486982 /nfs/dbraw/zinc/48/69/82/1037486982.db2.gz LSQDZRNCSYFBGD-SFHVURJKSA-N 2 2 384.337 3.571 20 0 GHADLP [NH3+]C[C@@]1(F)CCCC[N@H+](C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001246579843 1037487000 /nfs/dbraw/zinc/48/70/00/1037487000.db2.gz LSQDZRNCSYFBGD-SFHVURJKSA-N 2 2 384.337 3.571 20 0 GHADLP O=c1[nH]c2ccccc2n1C1CC[NH+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC001246678046 1037542490 /nfs/dbraw/zinc/54/24/90/1037542490.db2.gz MEEZPNJLGKRFLX-CTNGQTDRSA-N 2 2 376.504 3.872 20 0 GHADLP C[C@H]1CC[C@H]([NH+]2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)C[NH2+]1 ZINC001246694323 1037553317 /nfs/dbraw/zinc/55/33/17/1037553317.db2.gz LUVTXLQBIBWESL-PXNSSMCTSA-N 2 2 389.547 3.955 20 0 GHADLP Cc1cccc(N2CCC[C@]3(C2)C[N@@H+]([C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CCO3)c1 ZINC001246715483 1037567631 /nfs/dbraw/zinc/56/76/31/1037567631.db2.gz BUQZZCSQTRXDKV-ZDXQCDESSA-N 2 2 385.596 3.833 20 0 GHADLP Cc1cccc(N2CCC[C@]3(C2)C[N@H+]([C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CCO3)c1 ZINC001246715483 1037567654 /nfs/dbraw/zinc/56/76/54/1037567654.db2.gz BUQZZCSQTRXDKV-ZDXQCDESSA-N 2 2 385.596 3.833 20 0 GHADLP CCCC[C@@H]1C[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)CC[NH2+]1 ZINC001246750626 1037590525 /nfs/dbraw/zinc/59/05/25/1037590525.db2.gz ZSVPGIBLQLHSQS-DNQXCXABSA-N 3 2 399.623 3.973 20 0 GHADLP CCCC[C@@H]1C[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)CC[NH2+]1 ZINC001246750626 1037590539 /nfs/dbraw/zinc/59/05/39/1037590539.db2.gz ZSVPGIBLQLHSQS-DNQXCXABSA-N 3 2 399.623 3.973 20 0 GHADLP CCCC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)CC[NH2+]1 ZINC001246750628 1037590590 /nfs/dbraw/zinc/59/05/90/1037590590.db2.gz ZSVPGIBLQLHSQS-RPWUZVMVSA-N 3 2 399.623 3.973 20 0 GHADLP CCCC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)CC[NH2+]1 ZINC001246750628 1037590599 /nfs/dbraw/zinc/59/05/99/1037590599.db2.gz ZSVPGIBLQLHSQS-RPWUZVMVSA-N 3 2 399.623 3.973 20 0 GHADLP CCCC[C@H]1C[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)CC[NH2+]1 ZINC001246750622 1037590646 /nfs/dbraw/zinc/59/06/46/1037590646.db2.gz ZSVPGIBLQLHSQS-BJKOFHAPSA-N 3 2 399.623 3.973 20 0 GHADLP CCCC[C@H]1C[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)CC[NH2+]1 ZINC001246750622 1037590651 /nfs/dbraw/zinc/59/06/51/1037590651.db2.gz ZSVPGIBLQLHSQS-BJKOFHAPSA-N 3 2 399.623 3.973 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCN(C3=Nc4ccccc4Sc4ccccc43)CC2)CC[NH2+]1 ZINC001246792243 1037630784 /nfs/dbraw/zinc/63/07/84/1037630784.db2.gz OXTGFRHMIHZAIU-MSOLQXFVSA-N 2 2 392.572 3.988 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@H+]([C@@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)CC2 ZINC001246811971 1037645422 /nfs/dbraw/zinc/64/54/22/1037645422.db2.gz FQCVEGKZPQISDB-IRLDBZIGSA-N 2 2 382.479 3.772 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)CC2 ZINC001246811971 1037645438 /nfs/dbraw/zinc/64/54/38/1037645438.db2.gz FQCVEGKZPQISDB-IRLDBZIGSA-N 2 2 382.479 3.772 20 0 GHADLP COc1ccc(Cl)cc1N1CC[NH+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC001246831434 1037662120 /nfs/dbraw/zinc/66/21/20/1037662120.db2.gz FASYUNDTJFGRPQ-VQTJNVASSA-N 2 2 385.939 3.964 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001246880067 1037694554 /nfs/dbraw/zinc/69/45/54/1037694554.db2.gz PJYIWUQGUOJPNQ-GATIMQMVSA-N 3 2 375.560 3.513 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246880067 1037694571 /nfs/dbraw/zinc/69/45/71/1037694571.db2.gz PJYIWUQGUOJPNQ-GATIMQMVSA-N 3 2 375.560 3.513 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001246880067 1037694584 /nfs/dbraw/zinc/69/45/84/1037694584.db2.gz PJYIWUQGUOJPNQ-GATIMQMVSA-N 3 2 375.560 3.513 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001246880067 1037694602 /nfs/dbraw/zinc/69/46/02/1037694602.db2.gz PJYIWUQGUOJPNQ-GATIMQMVSA-N 3 2 375.560 3.513 20 0 GHADLP COC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246958997 1037773660 /nfs/dbraw/zinc/77/36/60/1037773660.db2.gz UGWWOVAEWHZTQV-ZBFHGGJFSA-N 2 2 398.469 3.780 20 0 GHADLP COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246958997 1037773683 /nfs/dbraw/zinc/77/36/83/1037773683.db2.gz UGWWOVAEWHZTQV-ZBFHGGJFSA-N 2 2 398.469 3.780 20 0 GHADLP Cc1cncnc1O[C@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246975633 1037801606 /nfs/dbraw/zinc/80/16/06/1037801606.db2.gz MQCOZZZIWXRNAY-ZJOUEHCJSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1cncnc1O[C@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246975633 1037801619 /nfs/dbraw/zinc/80/16/19/1037801619.db2.gz MQCOZZZIWXRNAY-ZJOUEHCJSA-N 2 2 384.499 3.569 20 0 GHADLP Fc1cc(-c2noc([C@@H]3CCc4[nH+]ccn4C3)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247295512 1038082684 /nfs/dbraw/zinc/08/26/84/1038082684.db2.gz XNMAJNVLDLXJBW-RDTXWAMCSA-N 2 2 390.422 3.534 20 0 GHADLP C[NH+](C)Cc1ccc(-c2noc([C@@H]([NH3+])c3ccc(Br)cc3)n2)cc1 ZINC001247689234 1038328024 /nfs/dbraw/zinc/32/80/24/1038328024.db2.gz OOBRGEFHDXFPRP-INIZCTEOSA-N 2 2 387.281 3.609 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3cccc(OCc4ccccc4)c3)no2)cc1 ZINC001247700033 1038338780 /nfs/dbraw/zinc/33/87/80/1038338780.db2.gz KKWPRZZUVYTKBF-OAQYLSRUSA-N 2 2 386.455 3.941 20 0 GHADLP FC(F)(F)[C@@H]1CCC[NH2+][C@@H]1c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001247779014 1038375157 /nfs/dbraw/zinc/37/51/57/1038375157.db2.gz CFYNFFNIKLRHDL-JQIVSHAJSA-N 2 2 393.413 3.801 20 0 GHADLP C[NH+]1CCC(C2CC[NH+](Cc3cc(F)c(O)c(Br)c3)CC2)CC1 ZINC001232633803 1038420937 /nfs/dbraw/zinc/42/09/37/1038420937.db2.gz UODNHOLLXBGOMH-UHFFFAOYSA-N 2 2 385.321 3.848 20 0 GHADLP COc1ccc(-c2nnc(-c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)o2)cc1 ZINC001252036584 1038822287 /nfs/dbraw/zinc/82/22/87/1038822287.db2.gz MZARETSEBQKJII-UHFFFAOYSA-N 2 2 380.492 3.796 20 0 GHADLP COc1ccc(-c2nnc(-c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)o2)cc1 ZINC001252036584 1038822305 /nfs/dbraw/zinc/82/23/05/1038822305.db2.gz MZARETSEBQKJII-UHFFFAOYSA-N 2 2 380.492 3.796 20 0 GHADLP CCOc1c(Cl)cc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1Cl ZINC001233105392 1038889677 /nfs/dbraw/zinc/88/96/77/1038889677.db2.gz JDHOHNGSZSVLCW-ZWKOTPCHSA-N 2 2 386.367 3.602 20 0 GHADLP CCOc1c(Cl)cc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1Cl ZINC001233105392 1038889697 /nfs/dbraw/zinc/88/96/97/1038889697.db2.gz JDHOHNGSZSVLCW-ZWKOTPCHSA-N 2 2 386.367 3.602 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]cc2-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)CC1 ZINC001252838330 1039196829 /nfs/dbraw/zinc/19/68/29/1039196829.db2.gz QBOBUBSNJQANFZ-UHFFFAOYSA-N 2 2 377.492 3.848 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c(n3)OCCO4)C[C@H]21 ZINC001233858792 1039667946 /nfs/dbraw/zinc/66/79/46/1039667946.db2.gz JQNDRTJNMRARGY-NSISKUIASA-N 2 2 399.560 3.647 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c(n3)OCCO4)C[C@H]21 ZINC001233858792 1039667960 /nfs/dbraw/zinc/66/79/60/1039667960.db2.gz JQNDRTJNMRARGY-NSISKUIASA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4c(n3)OCCO4)C[C@H]21 ZINC001233858792 1039667969 /nfs/dbraw/zinc/66/79/69/1039667969.db2.gz JQNDRTJNMRARGY-NSISKUIASA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(n3)OCCO4)C[C@H]21 ZINC001233858792 1039667974 /nfs/dbraw/zinc/66/79/74/1039667974.db2.gz JQNDRTJNMRARGY-NSISKUIASA-N 2 2 399.560 3.647 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254622122 1040394893 /nfs/dbraw/zinc/39/48/93/1040394893.db2.gz VBGADCYBJLHIAN-BJKOFHAPSA-N 2 2 397.538 3.674 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254622122 1040394911 /nfs/dbraw/zinc/39/49/11/1040394911.db2.gz VBGADCYBJLHIAN-BJKOFHAPSA-N 2 2 397.538 3.674 20 0 GHADLP Cc1cccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1OCc1ccccc1 ZINC001235020414 1040510734 /nfs/dbraw/zinc/51/07/34/1040510734.db2.gz CWMMYJUUORBEJH-XMMPIXPASA-N 2 2 380.532 3.776 20 0 GHADLP Cc1cccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1OCc1ccccc1 ZINC001235020414 1040510747 /nfs/dbraw/zinc/51/07/47/1040510747.db2.gz CWMMYJUUORBEJH-XMMPIXPASA-N 2 2 380.532 3.776 20 0 GHADLP Cc1ccc(OCc2ccccc2)c(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001235020392 1040510979 /nfs/dbraw/zinc/51/09/79/1040510979.db2.gz CPPYQEAEKCAVPV-XMMPIXPASA-N 2 2 380.532 3.776 20 0 GHADLP Cc1ccc(OCc2ccccc2)c(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001235020392 1040510997 /nfs/dbraw/zinc/51/09/97/1040510997.db2.gz CPPYQEAEKCAVPV-XMMPIXPASA-N 2 2 380.532 3.776 20 0 GHADLP FC(F)(F)c1cccc(CC2([NH2+][C@H]3CC4CC[NH+](CC4)C3)CCOCC2)c1 ZINC001254848832 1040592950 /nfs/dbraw/zinc/59/29/50/1040592950.db2.gz XFRFZGSIPWPHFQ-IBGZPJMESA-N 2 2 382.470 3.871 20 0 GHADLP CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]2C[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)C[C@H]21 ZINC001254854695 1040598679 /nfs/dbraw/zinc/59/86/79/1040598679.db2.gz HERMOVORUMHITH-BAGYTPMASA-N 2 2 397.563 3.689 20 0 GHADLP CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]2C[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)C[C@H]21 ZINC001254854695 1040598687 /nfs/dbraw/zinc/59/86/87/1040598687.db2.gz HERMOVORUMHITH-BAGYTPMASA-N 2 2 397.563 3.689 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@H]21 ZINC001254879808 1040628910 /nfs/dbraw/zinc/62/89/10/1040628910.db2.gz SNBKANRONLKHMJ-NHFHJCFSSA-N 2 2 377.573 3.582 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@H]21 ZINC001254879808 1040628919 /nfs/dbraw/zinc/62/89/19/1040628919.db2.gz SNBKANRONLKHMJ-NHFHJCFSSA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@H]21 ZINC001254879808 1040628929 /nfs/dbraw/zinc/62/89/29/1040628929.db2.gz SNBKANRONLKHMJ-NHFHJCFSSA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@H]21 ZINC001254879808 1040628954 /nfs/dbraw/zinc/62/89/54/1040628954.db2.gz SNBKANRONLKHMJ-NHFHJCFSSA-N 2 2 377.573 3.582 20 0 GHADLP c1ccc(C[NH+]2CCCC3(CCCC[N@@H+](C[C@@H]4C[NH2+]CCO4)C3)CCC2)cc1 ZINC001235174282 1040665769 /nfs/dbraw/zinc/66/57/69/1040665769.db2.gz GRWFYVHKOYEUCB-QHCPKHFHSA-N 3 2 385.596 3.523 20 0 GHADLP c1ccc(C[NH+]2CCCC3(CCCC[N@H+](C[C@@H]4C[NH2+]CCO4)C3)CCC2)cc1 ZINC001235174282 1040665776 /nfs/dbraw/zinc/66/57/76/1040665776.db2.gz GRWFYVHKOYEUCB-QHCPKHFHSA-N 3 2 385.596 3.523 20 0 GHADLP COc1ccc([C@H]([NH3+])[C@@H]([NH2+]C2C[C@@H]3CC(=O)C[C@H]3C2)c2ccc(OC)cc2)cc1 ZINC001254929787 1040674699 /nfs/dbraw/zinc/67/46/99/1040674699.db2.gz XYXPVFWSESGZGX-LFVIRAHLSA-N 2 2 394.515 3.792 20 0 GHADLP COC(=O)c1ccnc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)c1 ZINC001235203333 1040690125 /nfs/dbraw/zinc/69/01/25/1040690125.db2.gz NKJOROIMURUZOP-DZFGPLHGSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)c1 ZINC001235203333 1040690135 /nfs/dbraw/zinc/69/01/35/1040690135.db2.gz NKJOROIMURUZOP-DZFGPLHGSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccnc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)c1 ZINC001235203333 1040690141 /nfs/dbraw/zinc/69/01/41/1040690141.db2.gz NKJOROIMURUZOP-DZFGPLHGSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccnc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)c1 ZINC001235203333 1040690148 /nfs/dbraw/zinc/69/01/48/1040690148.db2.gz NKJOROIMURUZOP-DZFGPLHGSA-N 2 2 399.560 3.662 20 0 GHADLP Brc1cccc2nc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)oc21 ZINC001235236278 1040716047 /nfs/dbraw/zinc/71/60/47/1040716047.db2.gz DMYHQNNJQMJESK-HNNXBMFYSA-N 2 2 378.314 3.944 20 0 GHADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001235240714 1040723268 /nfs/dbraw/zinc/72/32/68/1040723268.db2.gz ZAZHEAWWRRRDBC-YADHBBJMSA-N 2 2 395.551 3.721 20 0 GHADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001235240714 1040723283 /nfs/dbraw/zinc/72/32/83/1040723283.db2.gz ZAZHEAWWRRRDBC-YADHBBJMSA-N 2 2 395.551 3.721 20 0 GHADLP Cc1ccnc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)c1 ZINC001255144076 1040854516 /nfs/dbraw/zinc/85/45/16/1040854516.db2.gz LLIKMDOIKOXICG-NUNAXRQHSA-N 2 2 376.548 3.708 20 0 GHADLP Cc1ccnc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)c1 ZINC001255144076 1040854525 /nfs/dbraw/zinc/85/45/25/1040854525.db2.gz LLIKMDOIKOXICG-NUNAXRQHSA-N 2 2 376.548 3.708 20 0 GHADLP Clc1ccc2c(C[N@@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)c[nH]c2n1 ZINC001235364894 1040855377 /nfs/dbraw/zinc/85/53/77/1040855377.db2.gz ABXROJXYJXVYTN-XMSQKQJNSA-N 2 2 380.923 3.970 20 0 GHADLP Clc1ccc2c(C[N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)c[nH]c2n1 ZINC001235364894 1040855392 /nfs/dbraw/zinc/85/53/92/1040855392.db2.gz ABXROJXYJXVYTN-XMSQKQJNSA-N 2 2 380.923 3.970 20 0 GHADLP COc1cncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001235467084 1040951537 /nfs/dbraw/zinc/95/15/37/1040951537.db2.gz VBQAWCIULXXXLX-NYVOZVTQSA-N 2 2 380.536 3.526 20 0 GHADLP COc1cncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001235467084 1040951542 /nfs/dbraw/zinc/95/15/42/1040951542.db2.gz VBQAWCIULXXXLX-NYVOZVTQSA-N 2 2 380.536 3.526 20 0 GHADLP COc1cncc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001235467084 1040951544 /nfs/dbraw/zinc/95/15/44/1040951544.db2.gz VBQAWCIULXXXLX-NYVOZVTQSA-N 2 2 380.536 3.526 20 0 GHADLP COc1cncc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001235467084 1040951546 /nfs/dbraw/zinc/95/15/46/1040951546.db2.gz VBQAWCIULXXXLX-NYVOZVTQSA-N 2 2 380.536 3.526 20 0 GHADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC2(CCN(C(=O)c3ccsc3)CC2)CC1 ZINC001235520452 1040974293 /nfs/dbraw/zinc/97/42/93/1040974293.db2.gz QAXAFVIZXVUCAA-OAQYLSRUSA-N 2 2 397.588 3.636 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](C2CCC(C(F)(F)F)CC2)CC3)n1 ZINC001255518723 1041107562 /nfs/dbraw/zinc/10/75/62/1041107562.db2.gz KFEDLGLZNDQELV-UHFFFAOYSA-N 2 2 384.490 3.972 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](C2CCC(C(F)(F)F)CC2)CC3)n1 ZINC001255518723 1041107568 /nfs/dbraw/zinc/10/75/68/1041107568.db2.gz KFEDLGLZNDQELV-UHFFFAOYSA-N 2 2 384.490 3.972 20 0 GHADLP CC1(C)C[C@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)CCO1 ZINC001255533471 1041114670 /nfs/dbraw/zinc/11/46/70/1041114670.db2.gz GLXZMLHBDCFGMD-CTNGQTDRSA-N 2 2 392.503 3.675 20 0 GHADLP C[NH2+]CC1CC[NH+](Cc2cc(Br)ccc2OC(F)(F)F)CC1 ZINC001235678527 1041138059 /nfs/dbraw/zinc/13/80/59/1041138059.db2.gz MJJKBAQOMKQZEL-UHFFFAOYSA-N 2 2 381.236 3.779 20 0 GHADLP C[C@@H](CC(F)(F)F)[NH+]1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001255664163 1041200260 /nfs/dbraw/zinc/20/02/60/1041200260.db2.gz OAQOPZFQWSJDTN-AWEZNQCLSA-N 2 2 393.494 3.781 20 0 GHADLP Cc1c(CN2CC[NH2+][C@@H](c3cccc(Br)c3)C2)[nH+]c2ccccn12 ZINC001235792219 1041286183 /nfs/dbraw/zinc/28/61/83/1041286183.db2.gz MKVRWZUBRHMXJZ-GOSISDBHSA-N 2 2 385.309 3.552 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@@H](C)Cc3ccc(C)cc3)CC2)cc1 ZINC001255782542 1041291140 /nfs/dbraw/zinc/29/11/40/1041291140.db2.gz XGPYDNUEKYDJPI-IBGZPJMESA-N 2 2 380.532 3.967 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[NH+]1CCN([C@H](C)c2ccccc2)CC1 ZINC001235863670 1041394477 /nfs/dbraw/zinc/39/44/77/1041394477.db2.gz HFFIVMYTSYHFOO-GOSISDBHSA-N 2 2 384.593 3.797 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[NH+]1CCN(c2ccc(F)cc2F)CC1 ZINC001235873269 1041406928 /nfs/dbraw/zinc/40/69/28/1041406928.db2.gz CBUAQKYVYQHDIT-UHFFFAOYSA-N 2 2 392.519 3.519 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(C[C@@H](OCc3csc(C)n3)CO2)CC1 ZINC001255961251 1041439965 /nfs/dbraw/zinc/43/99/65/1041439965.db2.gz LPOKOPIXDYAKRD-YLJYHZDGSA-N 2 2 395.613 3.712 20 0 GHADLP Cc1ncc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1Br ZINC001235977085 1041482678 /nfs/dbraw/zinc/48/26/78/1041482678.db2.gz INLSYJZZGHRSJK-UHFFFAOYSA-N 2 2 386.337 3.790 20 0 GHADLP Cc1ncc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1Br ZINC001235977085 1041482685 /nfs/dbraw/zinc/48/26/85/1041482685.db2.gz INLSYJZZGHRSJK-UHFFFAOYSA-N 2 2 386.337 3.790 20 0 GHADLP O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC001236142760 1041565526 /nfs/dbraw/zinc/56/55/26/1041565526.db2.gz COYXYDCABLFBDS-UHFFFAOYSA-N 2 2 390.314 3.555 20 0 GHADLP C[C@@H]([C@@H](Oc1ccccc1)c1ccccc1)[N@H+](C)Cc1cn2c(n1)C[NH2+]CC2 ZINC001236162200 1041585323 /nfs/dbraw/zinc/58/53/23/1041585323.db2.gz ZHJJIJYWLVBORO-FDDCHVKYSA-N 2 2 376.504 3.627 20 0 GHADLP C[C@@H]([C@@H](Oc1ccccc1)c1ccccc1)[N@@H+](C)Cc1cn2c(n1)C[NH2+]CC2 ZINC001236162200 1041585362 /nfs/dbraw/zinc/58/53/62/1041585362.db2.gz ZHJJIJYWLVBORO-FDDCHVKYSA-N 2 2 376.504 3.627 20 0 GHADLP CCOC(=O)N1CCC([NH+]2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)CC1 ZINC001256234894 1041669773 /nfs/dbraw/zinc/66/97/73/1041669773.db2.gz YIAZBVBYNRGKTK-UHFFFAOYSA-N 2 2 399.457 3.576 20 0 GHADLP Cc1cc(C[N@H+](Cc2ccccc2F)C2CC[NH2+]CC2)cc(C)c1OCCO ZINC001236368734 1041685112 /nfs/dbraw/zinc/68/51/12/1041685112.db2.gz DUCLJEQUYWEKDD-UHFFFAOYSA-N 2 2 386.511 3.568 20 0 GHADLP Cc1cc(C[N@@H+](Cc2ccccc2F)C2CC[NH2+]CC2)cc(C)c1OCCO ZINC001236368734 1041685115 /nfs/dbraw/zinc/68/51/15/1041685115.db2.gz DUCLJEQUYWEKDD-UHFFFAOYSA-N 2 2 386.511 3.568 20 0 GHADLP COc1ccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C2CC[NH2+]CC2)cc1 ZINC001236443832 1041715225 /nfs/dbraw/zinc/71/52/25/1041715225.db2.gz WOTSCAFFOSUHPL-UHFFFAOYSA-N 3 2 390.531 3.944 20 0 GHADLP COc1ccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C2CC[NH2+]CC2)cc1 ZINC001236443832 1041715231 /nfs/dbraw/zinc/71/52/31/1041715231.db2.gz WOTSCAFFOSUHPL-UHFFFAOYSA-N 3 2 390.531 3.944 20 0 GHADLP COc1ccc(C[N@H+](Cc2cnc(OC(C)C)c(C)c2)C2CC[NH2+]CC2)cc1 ZINC001236448694 1041717196 /nfs/dbraw/zinc/71/71/96/1041717196.db2.gz XCFCNKVPVNYUDS-UHFFFAOYSA-N 2 2 383.536 3.940 20 0 GHADLP COc1ccc(C[N@@H+](Cc2cnc(OC(C)C)c(C)c2)C2CC[NH2+]CC2)cc1 ZINC001236448694 1041717199 /nfs/dbraw/zinc/71/71/99/1041717199.db2.gz XCFCNKVPVNYUDS-UHFFFAOYSA-N 2 2 383.536 3.940 20 0 GHADLP COc1cc(C[N@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)cc2c1OCO2 ZINC001236455890 1041720752 /nfs/dbraw/zinc/72/07/52/1041720752.db2.gz YPSIHCXQGBDDBI-UHFFFAOYSA-N 2 2 388.895 3.832 20 0 GHADLP COc1cc(C[N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)cc2c1OCO2 ZINC001236455890 1041720755 /nfs/dbraw/zinc/72/07/55/1041720755.db2.gz YPSIHCXQGBDDBI-UHFFFAOYSA-N 2 2 388.895 3.832 20 0 GHADLP CN(C)c1cc(F)cc(C[N@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)c1 ZINC001236503458 1041743280 /nfs/dbraw/zinc/74/32/80/1041743280.db2.gz DKVAAYKPBPCPED-UHFFFAOYSA-N 2 2 377.454 3.924 20 0 GHADLP CN(C)c1cc(F)cc(C[N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)c1 ZINC001236503458 1041743289 /nfs/dbraw/zinc/74/32/89/1041743289.db2.gz DKVAAYKPBPCPED-UHFFFAOYSA-N 2 2 377.454 3.924 20 0 GHADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Br)cc(OC(F)(F)F)c3)C[C@@H]12 ZINC001236826311 1041918642 /nfs/dbraw/zinc/91/86/42/1041918642.db2.gz BSEXCXAULIOWMN-ZLKJLUDKSA-N 2 2 379.220 3.517 20 0 GHADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Br)cc(OC(F)(F)F)c3)C[C@@H]12 ZINC001236826311 1041918645 /nfs/dbraw/zinc/91/86/45/1041918645.db2.gz BSEXCXAULIOWMN-ZLKJLUDKSA-N 2 2 379.220 3.517 20 0 GHADLP COc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)nc1 ZINC001236908917 1041951943 /nfs/dbraw/zinc/95/19/43/1041951943.db2.gz KOMNYANGNHNLET-SFHVURJKSA-N 2 2 398.894 3.973 20 0 GHADLP COc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)nc1 ZINC001236908917 1041951944 /nfs/dbraw/zinc/95/19/44/1041951944.db2.gz KOMNYANGNHNLET-SFHVURJKSA-N 2 2 398.894 3.973 20 0 GHADLP Cn1nc(C(F)(F)F)c(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c1Cl ZINC001236949316 1041967923 /nfs/dbraw/zinc/96/79/23/1041967923.db2.gz UIFVORNESOTYOP-UHFFFAOYSA-N 2 2 378.870 3.694 20 0 GHADLP C[NH+]1CCN(c2cc(C[N@@H+]3CCSC[C@H]3c3ccccc3)ccc2F)CC1 ZINC001236974066 1041974324 /nfs/dbraw/zinc/97/43/24/1041974324.db2.gz QQRBVNZOZAEFEX-QFIPXVFZSA-N 2 2 385.552 3.868 20 0 GHADLP C[NH+]1CCN(c2cc(C[N@H+]3CCSC[C@H]3c3ccccc3)ccc2F)CC1 ZINC001236974066 1041974326 /nfs/dbraw/zinc/97/43/26/1041974326.db2.gz QQRBVNZOZAEFEX-QFIPXVFZSA-N 2 2 385.552 3.868 20 0 GHADLP Brc1cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)ccc1-n1ccnc1 ZINC001237157266 1042068909 /nfs/dbraw/zinc/06/89/09/1042068909.db2.gz SSBQVTPURHQDDD-KRWDZBQOSA-N 2 2 389.341 3.741 20 0 GHADLP Brc1cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)ccc1-n1ccnc1 ZINC001237157266 1042068914 /nfs/dbraw/zinc/06/89/14/1042068914.db2.gz SSBQVTPURHQDDD-KRWDZBQOSA-N 2 2 389.341 3.741 20 0 GHADLP OCCOc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001237201855 1042089923 /nfs/dbraw/zinc/08/99/23/1042089923.db2.gz BAOGKWOMZKVGLV-XMMPIXPASA-N 2 2 380.532 3.546 20 0 GHADLP OCCOc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001237201855 1042089928 /nfs/dbraw/zinc/08/99/28/1042089928.db2.gz BAOGKWOMZKVGLV-XMMPIXPASA-N 2 2 380.532 3.546 20 0 GHADLP OCCOc1ccccc1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001237201855 1042089934 /nfs/dbraw/zinc/08/99/34/1042089934.db2.gz BAOGKWOMZKVGLV-XMMPIXPASA-N 2 2 380.532 3.546 20 0 GHADLP OCCOc1ccccc1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001237201855 1042089943 /nfs/dbraw/zinc/08/99/43/1042089943.db2.gz BAOGKWOMZKVGLV-XMMPIXPASA-N 2 2 380.532 3.546 20 0 GHADLP c1ccc(COc2cc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc3c2OCO3)cc1 ZINC001237411563 1042196887 /nfs/dbraw/zinc/19/68/87/1042196887.db2.gz GUZZYXODQLLLIX-PMACEKPBSA-N 2 2 380.488 3.568 20 0 GHADLP c1ccc(COc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc3c2OCO3)cc1 ZINC001237411563 1042196893 /nfs/dbraw/zinc/19/68/93/1042196893.db2.gz GUZZYXODQLLLIX-PMACEKPBSA-N 2 2 380.488 3.568 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc(OC)c1OCc1ccccc1 ZINC001237415514 1042198515 /nfs/dbraw/zinc/19/85/15/1042198515.db2.gz PTDFGPINJMEAEK-SFTDATJTSA-N 2 2 396.531 3.857 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc(OC)c1OCc1ccccc1 ZINC001237415514 1042198516 /nfs/dbraw/zinc/19/85/16/1042198516.db2.gz PTDFGPINJMEAEK-SFTDATJTSA-N 2 2 396.531 3.857 20 0 GHADLP CCn1ncc2c1[C@@H](COC)C[N@@H+](Cc1ccc3c(c1)C(C(C)C)=[NH+]CC3)C2 ZINC001237879303 1042406787 /nfs/dbraw/zinc/40/67/87/1042406787.db2.gz VRNFZTLGSPBWRX-HXUWFJFHSA-N 2 2 380.536 3.650 20 0 GHADLP COC1CC[NH+](C2CC[NH+](Cc3ccc4c(c3)C(C(C)C)=[NH+]CC4)CC2)CC1 ZINC001237890142 1042411745 /nfs/dbraw/zinc/41/17/45/1042411745.db2.gz SHTNFAREHSXJSG-UHFFFAOYSA-N 3 2 383.580 3.763 20 0 GHADLP CCOc1cc(F)cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC001237918625 1042422649 /nfs/dbraw/zinc/42/26/49/1042422649.db2.gz XWLQLERXVTVNOJ-UHFFFAOYSA-N 2 2 388.483 3.684 20 0 GHADLP CCOc1cc(F)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC001237918625 1042422652 /nfs/dbraw/zinc/42/26/52/1042422652.db2.gz XWLQLERXVTVNOJ-UHFFFAOYSA-N 2 2 388.483 3.684 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC(C)C)cc1F)C2 ZINC001238439824 1042596271 /nfs/dbraw/zinc/59/62/71/1042596271.db2.gz DPMPSTQHMINXLF-OFNKIYASSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC(C)C)cc1F)C2 ZINC001238439824 1042596276 /nfs/dbraw/zinc/59/62/76/1042596276.db2.gz DPMPSTQHMINXLF-OFNKIYASSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OC(C)C)cc1F)C2 ZINC001238439824 1042596278 /nfs/dbraw/zinc/59/62/78/1042596278.db2.gz DPMPSTQHMINXLF-OFNKIYASSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OC(C)C)cc1F)C2 ZINC001238439824 1042596279 /nfs/dbraw/zinc/59/62/79/1042596279.db2.gz DPMPSTQHMINXLF-OFNKIYASSA-N 2 2 390.543 3.793 20 0 GHADLP Cc1cc(F)cc(Br)c1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001238565012 1042641708 /nfs/dbraw/zinc/64/17/08/1042641708.db2.gz HDWWCJOFHBFXPE-UHFFFAOYSA-N 2 2 384.293 3.527 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)cnc1C1CC1 ZINC001238621338 1042662126 /nfs/dbraw/zinc/66/21/26/1042662126.db2.gz IXALDXOUFBCAKB-UHFFFAOYSA-N 2 2 379.552 3.632 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)cnc1C1CC1 ZINC001238621338 1042662127 /nfs/dbraw/zinc/66/21/27/1042662127.db2.gz IXALDXOUFBCAKB-UHFFFAOYSA-N 2 2 379.552 3.632 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(C)c(I)c(C)c1 ZINC001238725921 1042704077 /nfs/dbraw/zinc/70/40/77/1042704077.db2.gz SQRXLVDDWARFPC-UHFFFAOYSA-N 2 2 383.277 3.627 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(C)c(I)c(C)c1 ZINC001238725921 1042704082 /nfs/dbraw/zinc/70/40/82/1042704082.db2.gz SQRXLVDDWARFPC-UHFFFAOYSA-N 2 2 383.277 3.627 20 0 GHADLP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3ccc(F)c(Cl)c3F)CC2)C1 ZINC001278308111 1042893371 /nfs/dbraw/zinc/89/33/71/1042893371.db2.gz INKDHVFSRFIPDF-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3ccc(F)c(Cl)c3F)CC2)C1 ZINC001278308111 1042893375 /nfs/dbraw/zinc/89/33/75/1042893375.db2.gz INKDHVFSRFIPDF-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001462664853 1070455137 /nfs/dbraw/zinc/45/51/37/1070455137.db2.gz JJBVCQOOKPITKJ-UHFFFAOYSA-N 2 2 378.561 3.931 20 0 GHADLP Cc1cc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)ncc1Br ZINC001278944234 1043443524 /nfs/dbraw/zinc/44/35/24/1043443524.db2.gz XMSFZGKJBLWLTJ-UHFFFAOYSA-N 2 2 378.358 3.993 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256548899 1043512185 /nfs/dbraw/zinc/51/21/85/1043512185.db2.gz CHXVQQPUEBAHRT-IRLDBZIGSA-N 2 2 396.579 3.704 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256548899 1043512187 /nfs/dbraw/zinc/51/21/87/1043512187.db2.gz CHXVQQPUEBAHRT-IRLDBZIGSA-N 2 2 396.579 3.704 20 0 GHADLP CCOc1cccc(N2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256554448 1043522852 /nfs/dbraw/zinc/52/28/52/1043522852.db2.gz QBWCSNHPHITHJW-IRLDBZIGSA-N 2 2 394.563 3.655 20 0 GHADLP CCOc1cccc(N2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256554448 1043522858 /nfs/dbraw/zinc/52/28/58/1043522858.db2.gz QBWCSNHPHITHJW-IRLDBZIGSA-N 2 2 394.563 3.655 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCN(c3cc(Cl)ccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256553656 1043522879 /nfs/dbraw/zinc/52/28/79/1043522879.db2.gz ISSAKMZBSIOKQE-RXVVDRJESA-N 2 2 384.955 3.910 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCN(c3cc(Cl)ccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256553656 1043522889 /nfs/dbraw/zinc/52/28/89/1043522889.db2.gz ISSAKMZBSIOKQE-RXVVDRJESA-N 2 2 384.955 3.910 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256554109 1043523162 /nfs/dbraw/zinc/52/31/62/1043523162.db2.gz NRJWQRJAZZZRSU-NQIIRXRSSA-N 2 2 384.955 3.910 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256554109 1043523170 /nfs/dbraw/zinc/52/31/70/1043523170.db2.gz NRJWQRJAZZZRSU-NQIIRXRSSA-N 2 2 384.955 3.910 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCC3(CC2)OC(=O)c2ccncc23)CC[N@@H+]1Cc1ccccc1 ZINC001256559304 1043533206 /nfs/dbraw/zinc/53/32/06/1043533206.db2.gz KOILNMOKNJOVES-AZUAARDMSA-N 2 2 391.515 3.596 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCC3(CC2)OC(=O)c2ccncc23)CC[N@H+]1Cc1ccccc1 ZINC001256559304 1043533217 /nfs/dbraw/zinc/53/32/17/1043533217.db2.gz KOILNMOKNJOVES-AZUAARDMSA-N 2 2 391.515 3.596 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256559231 1043533259 /nfs/dbraw/zinc/53/32/59/1043533259.db2.gz ZNVJXVVMUYRBSR-PMOQBDJRSA-N 2 2 389.543 3.770 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CC[N@H+]1Cc1ccccc1 ZINC001256559231 1043533270 /nfs/dbraw/zinc/53/32/70/1043533270.db2.gz ZNVJXVVMUYRBSR-PMOQBDJRSA-N 2 2 389.543 3.770 20 0 GHADLP C[C@H]1C[C@H]([N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CC[NH+]1Cc1ccccc1 ZINC001256559231 1043533274 /nfs/dbraw/zinc/53/32/74/1043533274.db2.gz ZNVJXVVMUYRBSR-PMOQBDJRSA-N 2 2 389.543 3.770 20 0 GHADLP C[C@H]1C[C@H]([N@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CC[NH+]1Cc1ccccc1 ZINC001256559231 1043533280 /nfs/dbraw/zinc/53/32/80/1043533280.db2.gz ZNVJXVVMUYRBSR-PMOQBDJRSA-N 2 2 389.543 3.770 20 0 GHADLP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256603589 1043567328 /nfs/dbraw/zinc/56/73/28/1043567328.db2.gz GWNLQFZFFWTQMU-LJQANCHMSA-N 2 2 387.568 3.840 20 0 GHADLP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256603589 1043567335 /nfs/dbraw/zinc/56/73/35/1043567335.db2.gz GWNLQFZFFWTQMU-LJQANCHMSA-N 2 2 387.568 3.840 20 0 GHADLP CC(C)(C)[N@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256605472 1043569510 /nfs/dbraw/zinc/56/95/10/1043569510.db2.gz CHKQGWBOVVLQKD-QFIPXVFZSA-N 3 2 385.596 3.663 20 0 GHADLP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256605472 1043569518 /nfs/dbraw/zinc/56/95/18/1043569518.db2.gz CHKQGWBOVVLQKD-QFIPXVFZSA-N 3 2 385.596 3.663 20 0 GHADLP NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256608513 1043572521 /nfs/dbraw/zinc/57/25/21/1043572521.db2.gz AANJBMDXNWMBQP-ZEQRLZLVSA-N 2 2 391.559 3.775 20 0 GHADLP NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256608513 1043572532 /nfs/dbraw/zinc/57/25/32/1043572532.db2.gz AANJBMDXNWMBQP-ZEQRLZLVSA-N 2 2 391.559 3.775 20 0 GHADLP CC[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256609331 1043574825 /nfs/dbraw/zinc/57/48/25/1043574825.db2.gz NAEPACJHYQIGQV-NRFANRHFSA-N 2 2 387.568 3.982 20 0 GHADLP CC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256609331 1043574834 /nfs/dbraw/zinc/57/48/34/1043574834.db2.gz NAEPACJHYQIGQV-NRFANRHFSA-N 2 2 387.568 3.982 20 0 GHADLP COc1cccc2c1CC[C@H]([NH+]1CCC3(CC1)C[N@H+](Cc1ccoc1)CCO3)C2 ZINC001256648980 1043592996 /nfs/dbraw/zinc/59/29/96/1043592996.db2.gz NULOYWBVULIRRZ-NRFANRHFSA-N 2 2 396.531 3.513 20 0 GHADLP COc1cccc2c1CC[C@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccoc1)CCO3)C2 ZINC001256648980 1043593011 /nfs/dbraw/zinc/59/30/11/1043593011.db2.gz NULOYWBVULIRRZ-NRFANRHFSA-N 2 2 396.531 3.513 20 0 GHADLP CC(C)(C)OC(=O)[C@H](CCc1ccccc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256852525 1043702363 /nfs/dbraw/zinc/70/23/63/1043702363.db2.gz LUPUBPSSFMPZKP-QFIPXVFZSA-N 2 2 395.547 3.983 20 0 GHADLP Fc1ccc(CN2CCC([NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)CC2)c(F)c1 ZINC001256909284 1043734769 /nfs/dbraw/zinc/73/47/69/1043734769.db2.gz SZZHPUZYTBAQNF-FQEVSTJZSA-N 2 2 377.523 3.926 20 0 GHADLP Fc1ccc(CN2CCC([NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)CC2)c(F)c1 ZINC001256909284 1043734781 /nfs/dbraw/zinc/73/47/81/1043734781.db2.gz SZZHPUZYTBAQNF-FQEVSTJZSA-N 2 2 377.523 3.926 20 0 GHADLP CC(C)(C)OC(=O)N1CC([C@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C2CC2)C1 ZINC001256911120 1043737462 /nfs/dbraw/zinc/73/74/62/1043737462.db2.gz JOPZCPJQMVQAMF-AZUAARDMSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1CC([C@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C2CC2)C1 ZINC001256911120 1043737472 /nfs/dbraw/zinc/73/74/72/1043737472.db2.gz JOPZCPJQMVQAMF-AZUAARDMSA-N 2 2 377.573 3.629 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C1 ZINC001257062124 1043826501 /nfs/dbraw/zinc/82/65/01/1043826501.db2.gz KFYRAVRTKLVEHS-WBVHZDCISA-N 2 2 387.911 3.742 20 0 GHADLP CC[C@@H]1C[C@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)CCN1C(=O)OC(C)(C)C ZINC001257141678 1043891567 /nfs/dbraw/zinc/89/15/67/1043891567.db2.gz JNPRARMIRGUTIR-IEBWSBKVSA-N 2 2 388.556 3.818 20 0 GHADLP CCOC(=O)c1ccc(C[C@@H](C)N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)cc1 ZINC001257169630 1043913832 /nfs/dbraw/zinc/91/38/32/1043913832.db2.gz GQDZDZMNRQPEFQ-MRXNPFEDSA-N 2 2 385.483 3.587 20 0 GHADLP COC(=O)C[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(Br)cc1 ZINC001257213929 1043939038 /nfs/dbraw/zinc/93/90/38/1043939038.db2.gz UVSJGCUHASXQSO-KRWDZBQOSA-N 2 2 383.330 3.516 20 0 GHADLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257788615 1044172798 /nfs/dbraw/zinc/17/27/98/1044172798.db2.gz QOPUGXGVXHQYEP-SIKLNZKXSA-N 2 2 379.589 3.878 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257817124 1044197403 /nfs/dbraw/zinc/19/74/03/1044197403.db2.gz WKOOZJMICDTVKB-WIYYLYMNSA-N 2 2 376.545 3.775 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257817124 1044197414 /nfs/dbraw/zinc/19/74/14/1044197414.db2.gz WKOOZJMICDTVKB-WIYYLYMNSA-N 2 2 376.545 3.775 20 0 GHADLP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257988193 1044317640 /nfs/dbraw/zinc/31/76/40/1044317640.db2.gz JZJUTKMPLMRQEQ-WOJBJXKFSA-N 2 2 398.551 3.563 20 0 GHADLP CC(C)C[NH+]1CCC(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)CC1 ZINC001258019727 1044345075 /nfs/dbraw/zinc/34/50/75/1044345075.db2.gz GDXRKIVJDNTUQA-HXUWFJFHSA-N 2 2 383.502 3.856 20 0 GHADLP CC(C)C[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)CC1 ZINC001258019727 1044345089 /nfs/dbraw/zinc/34/50/89/1044345089.db2.gz GDXRKIVJDNTUQA-HXUWFJFHSA-N 2 2 383.502 3.856 20 0 GHADLP CCOC(=O)CC1CCC([NH2+]C2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC001258024164 1044349612 /nfs/dbraw/zinc/34/96/12/1044349612.db2.gz PKYCZRALTBCJHH-UHFFFAOYSA-N 2 2 388.552 3.761 20 0 GHADLP CCOC(=O)CC1CCC([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)CC1 ZINC001258032620 1044357454 /nfs/dbraw/zinc/35/74/54/1044357454.db2.gz FHQJHODEUYFDDO-LMDPOFIKSA-N 2 2 390.572 3.612 20 0 GHADLP CCOC(=O)CC1CCC([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)CC1 ZINC001258032620 1044357468 /nfs/dbraw/zinc/35/74/68/1044357468.db2.gz FHQJHODEUYFDDO-LMDPOFIKSA-N 2 2 390.572 3.612 20 0 GHADLP CCOC(=O)CC1CCC([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)CC1 ZINC001258032620 1044357484 /nfs/dbraw/zinc/35/74/84/1044357484.db2.gz FHQJHODEUYFDDO-LMDPOFIKSA-N 2 2 390.572 3.612 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CCO2 ZINC001258139843 1044425443 /nfs/dbraw/zinc/42/54/43/1044425443.db2.gz NXIRBLODUZOTIE-JOCHJYFZSA-N 2 2 394.515 3.594 20 0 GHADLP CSCC[C@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC001258207805 1044469558 /nfs/dbraw/zinc/46/95/58/1044469558.db2.gz ABCMSVWTDDHFBK-YWZLYKJASA-N 2 2 382.533 3.859 20 0 GHADLP C[C@H](Cc1cccc(Cl)c1)[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001258746984 1044743228 /nfs/dbraw/zinc/74/32/28/1044743228.db2.gz FNTJESLSZLZYNQ-QGZVFWFLSA-N 2 2 391.987 3.536 20 0 GHADLP CCC[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)CC1 ZINC001258777299 1044761438 /nfs/dbraw/zinc/76/14/38/1044761438.db2.gz QHVIKGJQBHNWTH-HOTGVXAUSA-N 2 2 393.494 3.638 20 0 GHADLP CCC[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)CC1 ZINC001258777299 1044761451 /nfs/dbraw/zinc/76/14/51/1044761451.db2.gz QHVIKGJQBHNWTH-HOTGVXAUSA-N 2 2 393.494 3.638 20 0 GHADLP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001298378849 1045791875 /nfs/dbraw/zinc/79/18/75/1045791875.db2.gz RMWHZGTXKOZFSN-UNMCSNQZSA-N 2 2 382.552 3.636 20 0 GHADLP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001298378849 1045791885 /nfs/dbraw/zinc/79/18/85/1045791885.db2.gz RMWHZGTXKOZFSN-UNMCSNQZSA-N 2 2 382.552 3.636 20 0 GHADLP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000567260336 1046052458 /nfs/dbraw/zinc/05/24/58/1046052458.db2.gz KNKCMIYRMGPZRK-QUCCMNQESA-N 2 2 392.952 3.717 20 0 GHADLP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000567260334 1046053214 /nfs/dbraw/zinc/05/32/14/1046053214.db2.gz KNKCMIYRMGPZRK-AZUAARDMSA-N 2 2 392.952 3.717 20 0 GHADLP CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000590126540 1047210873 /nfs/dbraw/zinc/21/08/73/1047210873.db2.gz NCCZXSCWGLQCIE-FQEVSTJZSA-N 2 2 391.353 3.764 20 0 GHADLP CC[N@H+](Cc1cccc(Br)c1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000590126540 1047210889 /nfs/dbraw/zinc/21/08/89/1047210889.db2.gz NCCZXSCWGLQCIE-FQEVSTJZSA-N 2 2 391.353 3.764 20 0 GHADLP CC[NH+](Cc1cccc(Br)c1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000590126540 1047210904 /nfs/dbraw/zinc/21/09/04/1047210904.db2.gz NCCZXSCWGLQCIE-FQEVSTJZSA-N 2 2 391.353 3.764 20 0 GHADLP CC[NH+](Cc1cccc(Br)c1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000590126540 1047210920 /nfs/dbraw/zinc/21/09/20/1047210920.db2.gz NCCZXSCWGLQCIE-FQEVSTJZSA-N 2 2 391.353 3.764 20 0 GHADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3[nH]nc4cc(Br)ccc43)C2)C1 ZINC001279296932 1047759186 /nfs/dbraw/zinc/75/91/86/1047759186.db2.gz RBYHCDHBZFAPNH-SFHVURJKSA-N 2 2 377.330 3.633 20 0 GHADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3[nH]nc4cc(Br)ccc43)C2)C1 ZINC001279296932 1047759190 /nfs/dbraw/zinc/75/91/90/1047759190.db2.gz RBYHCDHBZFAPNH-SFHVURJKSA-N 2 2 377.330 3.633 20 0 GHADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3[nH]nc4cc(Br)ccc43)C2)C1 ZINC001279296932 1047759192 /nfs/dbraw/zinc/75/91/92/1047759192.db2.gz RBYHCDHBZFAPNH-SFHVURJKSA-N 2 2 377.330 3.633 20 0 GHADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3[nH]nc4cc(Br)ccc43)C2)C1 ZINC001279296932 1047759195 /nfs/dbraw/zinc/75/91/95/1047759195.db2.gz RBYHCDHBZFAPNH-SFHVURJKSA-N 2 2 377.330 3.633 20 0 GHADLP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(-n3cc[nH+]c3)c(Br)c1)CC2 ZINC001279330092 1047769846 /nfs/dbraw/zinc/76/98/46/1047769846.db2.gz GYMWQNLFUQVHOZ-UHFFFAOYSA-N 3 2 389.341 3.553 20 0 GHADLP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(-n3cc[nH+]c3)c(Br)c1)CC2 ZINC001279330092 1047769853 /nfs/dbraw/zinc/76/98/53/1047769853.db2.gz GYMWQNLFUQVHOZ-UHFFFAOYSA-N 3 2 389.341 3.553 20 0 GHADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c2ccc(Cl)cc12 ZINC001279407029 1047797198 /nfs/dbraw/zinc/79/71/98/1047797198.db2.gz KPHRMSKDYSZDDQ-AYHJJNSGSA-N 2 2 377.916 3.527 20 0 GHADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2ccc(Cl)cc12 ZINC001279407029 1047797202 /nfs/dbraw/zinc/79/72/02/1047797202.db2.gz KPHRMSKDYSZDDQ-AYHJJNSGSA-N 2 2 377.916 3.527 20 0 GHADLP Clc1ccnc(Cl)c1CN[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001279717759 1047932910 /nfs/dbraw/zinc/93/29/10/1047932910.db2.gz NLANLWVWBUMYRO-MOPGFXCFSA-N 2 2 394.350 3.810 20 0 GHADLP Cc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)NC(C)(C)C)CC3)CC2)s1 ZINC001279776855 1047947556 /nfs/dbraw/zinc/94/75/56/1047947556.db2.gz RFAQDQVMYQSLAY-UHFFFAOYSA-N 2 2 377.598 3.648 20 0 GHADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](CC)CC)CC2)cc1 ZINC001288328260 1049042841 /nfs/dbraw/zinc/04/28/41/1049042841.db2.gz XTVZJLCKNFTYOR-XMMPIXPASA-N 2 2 393.575 3.976 20 0 GHADLP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCN(c4cc[nH+]cc4)C[C@@H]3C)n2)cc1F ZINC001308087927 1049835066 /nfs/dbraw/zinc/83/50/66/1049835066.db2.gz AEZZLNUGYNUHRF-HOTGVXAUSA-N 2 2 381.455 3.851 20 0 GHADLP Cc1ccc(-c2noc([C@H](C)[N@H+]3CCN(c4cc[nH+]cc4)C[C@@H]3C)n2)cc1F ZINC001308087927 1049835073 /nfs/dbraw/zinc/83/50/73/1049835073.db2.gz AEZZLNUGYNUHRF-HOTGVXAUSA-N 2 2 381.455 3.851 20 0 GHADLP CC[C@H]1C(=O)NCCC[N@H+]1C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001308102817 1049848833 /nfs/dbraw/zinc/84/88/33/1049848833.db2.gz ODRPJSKKBNEEEY-PKTZIBPZSA-N 2 2 379.548 3.503 20 0 GHADLP CC[C@H]1C(=O)NCCC[N@@H+]1C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001308102817 1049848841 /nfs/dbraw/zinc/84/88/41/1049848841.db2.gz ODRPJSKKBNEEEY-PKTZIBPZSA-N 2 2 379.548 3.503 20 0 GHADLP CC[C@H]1C(=O)NCCC[NH+]1C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001308102817 1049848846 /nfs/dbraw/zinc/84/88/46/1049848846.db2.gz ODRPJSKKBNEEEY-PKTZIBPZSA-N 2 2 379.548 3.503 20 0 GHADLP CC[C@H]1C(=O)NCCC[NH+]1C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001308102817 1049848853 /nfs/dbraw/zinc/84/88/53/1049848853.db2.gz ODRPJSKKBNEEEY-PKTZIBPZSA-N 2 2 379.548 3.503 20 0 GHADLP Brc1c[nH]c(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC001308233758 1049921620 /nfs/dbraw/zinc/92/16/20/1049921620.db2.gz JCDCWOUCAZWFNJ-UHFFFAOYSA-N 2 2 377.330 3.838 20 0 GHADLP Brc1cccc(NCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001308349826 1049955095 /nfs/dbraw/zinc/95/50/95/1049955095.db2.gz NZFRIMGMHUSVRP-UHFFFAOYSA-N 2 2 377.311 3.898 20 0 GHADLP C[C@H](O)[C@@H]([NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1ccccc1 ZINC001308478953 1049984971 /nfs/dbraw/zinc/98/49/71/1049984971.db2.gz WYIDXQKCDHYDGY-HRAATJIYSA-N 2 2 385.895 3.827 20 0 GHADLP Clc1cc(C[NH2+]Cc2cccc3c2CCOC3)ccc1OCCn1cc[nH+]c1 ZINC001308480214 1049985641 /nfs/dbraw/zinc/98/56/41/1049985641.db2.gz UYWZYGOVAHLZQX-UHFFFAOYSA-N 2 2 397.906 3.978 20 0 GHADLP COc1ccccc1/C=C\C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001308512766 1049994509 /nfs/dbraw/zinc/99/45/09/1049994509.db2.gz KAQYLSAFUSSCBL-WQLSENKSSA-N 2 2 380.532 3.979 20 0 GHADLP COc1ccccc1/C=C\C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001308512766 1049994513 /nfs/dbraw/zinc/99/45/13/1049994513.db2.gz KAQYLSAFUSSCBL-WQLSENKSSA-N 2 2 380.532 3.979 20 0 GHADLP Cn1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(-c2cc(F)ccc2F)n1 ZINC001336742992 1052320048 /nfs/dbraw/zinc/32/00/48/1052320048.db2.gz VHHJYNQDANIENM-OAHLLOKOSA-N 2 2 385.462 3.554 20 0 GHADLP CCC1([NH+]2CCCCC2)CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC001311697865 1052339599 /nfs/dbraw/zinc/33/95/99/1052339599.db2.gz ODUNHRPRLBBGBW-UHFFFAOYSA-N 2 2 395.551 3.812 20 0 GHADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001312013316 1052528420 /nfs/dbraw/zinc/52/84/20/1052528420.db2.gz TYFWTOBUNCQWNU-XZOQPEGZSA-N 2 2 392.547 3.700 20 0 GHADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001312013316 1052528426 /nfs/dbraw/zinc/52/84/26/1052528426.db2.gz TYFWTOBUNCQWNU-XZOQPEGZSA-N 2 2 392.547 3.700 20 0 GHADLP CCC1([NH+]2CCC2)CCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2CC(C)C)CC1 ZINC001343506678 1053825083 /nfs/dbraw/zinc/82/50/83/1053825083.db2.gz ICYOSCMCFRIMQX-LJQANCHMSA-N 2 2 388.604 3.546 20 0 GHADLP CCC1([NH+]2CCC2)CCN(c2nnc([C@H]3CCCC[N@H+]3C)n2CC(C)C)CC1 ZINC001343506678 1053825099 /nfs/dbraw/zinc/82/50/99/1053825099.db2.gz ICYOSCMCFRIMQX-LJQANCHMSA-N 2 2 388.604 3.546 20 0 GHADLP COc1ccc(C(=O)CCCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001318500806 1054681195 /nfs/dbraw/zinc/68/11/95/1054681195.db2.gz OXDLVJIRVLPZLT-UHFFFAOYSA-N 2 2 378.432 3.576 20 0 GHADLP C[NH+]1CCN(c2ccccc2C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001318781924 1054869285 /nfs/dbraw/zinc/86/92/85/1054869285.db2.gz MFVPQUQQBTZXII-UHFFFAOYSA-N 2 2 395.894 3.530 20 0 GHADLP C[C@](O)(C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1cccs1 ZINC001200646724 1056585100 /nfs/dbraw/zinc/58/51/00/1056585100.db2.gz HWFCIQYGDIPNAX-IBGZPJMESA-N 2 2 391.924 3.674 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC001200703209 1056769735 /nfs/dbraw/zinc/76/97/35/1056769735.db2.gz LZBJBRSRWARIDU-AZUAARDMSA-N 2 2 394.437 3.558 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC001200703209 1056769748 /nfs/dbraw/zinc/76/97/48/1056769748.db2.gz LZBJBRSRWARIDU-AZUAARDMSA-N 2 2 394.437 3.558 20 0 GHADLP c1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccc3c(c2)CCCO3)cc1 ZINC000848534719 1057157171 /nfs/dbraw/zinc/15/71/71/1057157171.db2.gz UTDVYEIDFUKZSY-UKILVPOCSA-N 2 2 392.543 3.944 20 0 GHADLP O[C@H](c1ccccc1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000848550618 1057173027 /nfs/dbraw/zinc/17/30/27/1057173027.db2.gz SBQSDBBSRSDTKI-KMDXXIMOSA-N 2 2 380.532 3.694 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C[C@@H]2C1 ZINC000848568267 1057183973 /nfs/dbraw/zinc/18/39/73/1057183973.db2.gz CHCCLRIQOPTAIX-YHDCXSKOSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)C[C@@H]2C1 ZINC000848568267 1057183976 /nfs/dbraw/zinc/18/39/76/1057183976.db2.gz CHCCLRIQOPTAIX-YHDCXSKOSA-N 2 2 377.573 3.629 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC(C)(C)C[C@@H]3c3ccccc3)C2)CC1 ZINC001443746191 1059192017 /nfs/dbraw/zinc/19/20/17/1059192017.db2.gz YXABXXGOQMLDCU-MDNUFGMLSA-N 2 2 397.607 3.881 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCC(C)(C)C[C@@H]3c3ccccc3)C2)CC1 ZINC001443746191 1059192030 /nfs/dbraw/zinc/19/20/30/1059192030.db2.gz YXABXXGOQMLDCU-MDNUFGMLSA-N 2 2 397.607 3.881 20 0 GHADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cccc2c1OCC[NH2+]C2 ZINC001340044048 1059647120 /nfs/dbraw/zinc/64/71/20/1059647120.db2.gz FQQPWQHHAATHTM-UHFFFAOYSA-N 2 2 388.471 3.621 20 0 GHADLP CCOc1ccccc1[C@@H]([NH3+])CC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001342079787 1061044793 /nfs/dbraw/zinc/04/47/93/1061044793.db2.gz MDLLMHCVJDWGOO-HKUYNNGSSA-N 2 2 398.551 3.833 20 0 GHADLP CC1=C(C)C[C@H](C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001458871788 1063952830 /nfs/dbraw/zinc/95/28/30/1063952830.db2.gz DBXJYSSKURZSEY-FCEUIQTBSA-N 2 2 375.601 3.919 20 0 GHADLP CC1=C(C)C[C@H](C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001458871788 1063952833 /nfs/dbraw/zinc/95/28/33/1063952833.db2.gz DBXJYSSKURZSEY-FCEUIQTBSA-N 2 2 375.601 3.919 20 0 GHADLP C[N@@H+]1C[C@H](C(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)[C@@H](c2ccccc2)C1 ZINC001350979241 1064232889 /nfs/dbraw/zinc/23/28/89/1064232889.db2.gz UHDOBVPPBOJFEW-HBMCJLEFSA-N 2 2 394.563 3.690 20 0 GHADLP C[N@H+]1C[C@H](C(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)[C@@H](c2ccccc2)C1 ZINC001350979241 1064232899 /nfs/dbraw/zinc/23/28/99/1064232899.db2.gz UHDOBVPPBOJFEW-HBMCJLEFSA-N 2 2 394.563 3.690 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](C)[C@@H]3CCCC[C@H]3C)n2)CC1 ZINC001459947563 1064295315 /nfs/dbraw/zinc/29/53/15/1064295315.db2.gz AMXHIQFUYCJMLP-SJLPKXTDSA-N 2 2 378.586 3.824 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](C)[C@@H]3CCCC[C@H]3C)n2)CC1 ZINC001459947563 1064295325 /nfs/dbraw/zinc/29/53/25/1064295325.db2.gz AMXHIQFUYCJMLP-SJLPKXTDSA-N 2 2 378.586 3.824 20 0 GHADLP Cc1c2ccccc2oc1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001200485476 1066340432 /nfs/dbraw/zinc/34/04/32/1066340432.db2.gz DHVIYNOYVVBTFV-UHFFFAOYSA-N 2 2 380.488 3.742 20 0 GHADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001477594679 1078481868 /nfs/dbraw/zinc/48/18/68/1078481868.db2.gz JKNRWHNIZMHASP-GUDVDZBRSA-N 2 2 389.588 3.648 20 0 GHADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001477594679 1078481871 /nfs/dbraw/zinc/48/18/71/1078481871.db2.gz JKNRWHNIZMHASP-GUDVDZBRSA-N 2 2 389.588 3.648 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)C[C@H]3CC=CCC3)CC2)cc1 ZINC001473302259 1067229410 /nfs/dbraw/zinc/22/94/10/1067229410.db2.gz NDTYFZFMMDCMBE-NRFANRHFSA-N 2 2 383.580 3.742 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)C[C@H]3CC=CCC3)CC2)cc1 ZINC001473302259 1067229418 /nfs/dbraw/zinc/22/94/18/1067229418.db2.gz NDTYFZFMMDCMBE-NRFANRHFSA-N 2 2 383.580 3.742 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000531656887 1067651449 /nfs/dbraw/zinc/65/14/49/1067651449.db2.gz VJDZLXOJIXBJLZ-SFHVURJKSA-N 2 2 397.567 3.515 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000531656887 1067651453 /nfs/dbraw/zinc/65/14/53/1067651453.db2.gz VJDZLXOJIXBJLZ-SFHVURJKSA-N 2 2 397.567 3.515 20 0 GHADLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccccc1OC(F)(F)F ZINC000849107049 1067730730 /nfs/dbraw/zinc/73/07/30/1067730730.db2.gz COKCAIQUGGLDMZ-UHFFFAOYSA-N 2 2 375.354 3.907 20 0 GHADLP CN(C(=O)NCCC(C)(C)C1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001470338950 1068688120 /nfs/dbraw/zinc/68/81/20/1068688120.db2.gz CLZMBVXIVVHOHU-NHCUHLMSSA-N 2 2 392.632 3.791 20 0 GHADLP CN(C(=O)NCCC(C)(C)C1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001470338950 1068688126 /nfs/dbraw/zinc/68/81/26/1068688126.db2.gz CLZMBVXIVVHOHU-NHCUHLMSSA-N 2 2 392.632 3.791 20 0 GHADLP CO[C@H]1CC[N@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1(C)C ZINC001460134335 1068802578 /nfs/dbraw/zinc/80/25/78/1068802578.db2.gz WCWUSSSQJJFTRS-FQEVSTJZSA-N 2 2 379.976 3.599 20 0 GHADLP CO[C@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1(C)C ZINC001460134335 1068802594 /nfs/dbraw/zinc/80/25/94/1068802594.db2.gz WCWUSSSQJJFTRS-FQEVSTJZSA-N 2 2 379.976 3.599 20 0 GHADLP C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001460854128 1069224899 /nfs/dbraw/zinc/22/48/99/1069224899.db2.gz YGPRGZJVPKDYJZ-JXALWOEJSA-N 2 2 380.532 3.869 20 0 GHADLP C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001460854128 1069224920 /nfs/dbraw/zinc/22/49/20/1069224920.db2.gz YGPRGZJVPKDYJZ-JXALWOEJSA-N 2 2 380.532 3.869 20 0 GHADLP C[NH+](Cc1ccc(OCC(F)(F)F)cc1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001473460818 1073975742 /nfs/dbraw/zinc/97/57/42/1073975742.db2.gz FAPWIZQBVWEABG-LJQANCHMSA-N 2 2 396.453 3.552 20 0 GHADLP C[NH+](Cc1ccc(OCC(F)(F)F)cc1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001473460818 1073975743 /nfs/dbraw/zinc/97/57/43/1073975743.db2.gz FAPWIZQBVWEABG-LJQANCHMSA-N 2 2 396.453 3.552 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC001473460818 1073975747 /nfs/dbraw/zinc/97/57/47/1073975747.db2.gz FAPWIZQBVWEABG-LJQANCHMSA-N 2 2 396.453 3.552 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC001473460818 1073975750 /nfs/dbraw/zinc/97/57/50/1073975750.db2.gz FAPWIZQBVWEABG-LJQANCHMSA-N 2 2 396.453 3.552 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC001473486992 1073985505 /nfs/dbraw/zinc/98/55/05/1073985505.db2.gz WPVKRZUGBOQEBF-QFIPXVFZSA-N 2 2 389.543 3.907 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC001473486992 1073985509 /nfs/dbraw/zinc/98/55/09/1073985509.db2.gz WPVKRZUGBOQEBF-QFIPXVFZSA-N 2 2 389.543 3.907 20 0 GHADLP CCc1cc2c(C[NH+]3CCC(c4[nH]c(C)c(C)[nH+]4)CC3)cc(=O)oc2cc1O ZINC001473803001 1074149203 /nfs/dbraw/zinc/14/92/03/1074149203.db2.gz TVEVYZVMFVCVNC-UHFFFAOYSA-N 2 2 381.476 3.781 20 0 GHADLP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC001474041766 1074245396 /nfs/dbraw/zinc/24/53/96/1074245396.db2.gz YKELVXVLEDQTSV-UHFFFAOYSA-N 2 2 384.568 3.777 20 0 GHADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC001474068428 1074253084 /nfs/dbraw/zinc/25/30/84/1074253084.db2.gz WRYCUPPYHRYWKQ-IRXDYDNUSA-N 2 2 390.421 3.582 20 0 GHADLP Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)cc1 ZINC001474126703 1074269714 /nfs/dbraw/zinc/26/97/14/1074269714.db2.gz BPIQREKHODEFLC-FQEVSTJZSA-N 2 2 385.895 3.747 20 0 GHADLP CO[C@](C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)COCc1ccccc1 ZINC001474204679 1074292712 /nfs/dbraw/zinc/29/27/12/1074292712.db2.gz HULMZIDFYBCXCI-LJQANCHMSA-N 2 2 388.474 3.615 20 0 GHADLP C[C@H](C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001474473232 1074422904 /nfs/dbraw/zinc/42/29/04/1074422904.db2.gz LFFGWFHWDQFURU-LJQANCHMSA-N 2 2 392.609 3.830 20 0 GHADLP Fc1ncc(Br)cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001474486934 1074427498 /nfs/dbraw/zinc/42/74/98/1074427498.db2.gz ANNTWGZEOXIUSJ-HNNXBMFYSA-N 2 2 378.289 3.595 20 0 GHADLP Fc1ncc(Br)cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001474486934 1074427502 /nfs/dbraw/zinc/42/75/02/1074427502.db2.gz ANNTWGZEOXIUSJ-HNNXBMFYSA-N 2 2 378.289 3.595 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001474658819 1074503638 /nfs/dbraw/zinc/50/36/38/1074503638.db2.gz TURMXFVUQHYCCI-KBXCAEBGSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001474658819 1074503640 /nfs/dbraw/zinc/50/36/40/1074503640.db2.gz TURMXFVUQHYCCI-KBXCAEBGSA-N 2 2 394.357 3.773 20 0 GHADLP O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000095568535 136182146 /nfs/dbraw/zinc/18/21/46/136182146.db2.gz DLZAAOWFZPOSEQ-QFIPXVFZSA-N 2 2 390.462 3.723 20 0 GHADLP Cc1cccc2c(C)cc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)[nH+]c12 ZINC001164733310 720552236 /nfs/dbraw/zinc/55/22/36/720552236.db2.gz LDPHZKWHAFNFPH-UHFFFAOYSA-N 2 2 375.520 3.707 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)[C@@H]2C ZINC001164862994 721018153 /nfs/dbraw/zinc/01/81/53/721018153.db2.gz SFIWOKHEEHKJRA-OAHLLOKOSA-N 2 2 378.524 3.670 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)[C@@H]2C ZINC001164862994 721018161 /nfs/dbraw/zinc/01/81/61/721018161.db2.gz SFIWOKHEEHKJRA-OAHLLOKOSA-N 2 2 378.524 3.670 20 0 GHADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N(C)CC3CC[NH+](C)CC3)c12 ZINC001165042858 721937239 /nfs/dbraw/zinc/93/72/39/721937239.db2.gz MPKFFNACWIPTSW-UHFFFAOYSA-N 2 2 377.536 3.874 20 0 GHADLP C[NH+]1CCN(c2cccc(N3CCC(c4nc5ccccc5s4)CC3)[nH+]2)CC1 ZINC001165051455 721988862 /nfs/dbraw/zinc/98/88/62/721988862.db2.gz SUCOCDWFZOZROM-UHFFFAOYSA-N 2 2 393.560 3.827 20 0 GHADLP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000511463750 837481304 /nfs/dbraw/zinc/48/13/04/837481304.db2.gz RGJJQIAZAWOEAV-KURKYZTESA-N 2 2 377.960 3.636 20 0 GHADLP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000511463750 837481309 /nfs/dbraw/zinc/48/13/09/837481309.db2.gz RGJJQIAZAWOEAV-KURKYZTESA-N 2 2 377.960 3.636 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2cc3n(n2)CCC3)CC1 ZINC000414108354 837565904 /nfs/dbraw/zinc/56/59/04/837565904.db2.gz GFLKNLRSXIAKCB-IRXDYDNUSA-N 2 2 385.531 3.522 20 0 GHADLP CC(C)Oc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000655708261 837713380 /nfs/dbraw/zinc/71/33/80/837713380.db2.gz MATFBUQKUJBJMU-QGZVFWFLSA-N 2 2 386.458 3.836 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cccnc2OCC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000090942529 834614683 /nfs/dbraw/zinc/61/46/83/834614683.db2.gz LWEAOVFZDDOMDD-QFBILLFUSA-N 2 2 375.463 3.868 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cccnc2OCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000090942529 834614688 /nfs/dbraw/zinc/61/46/88/834614688.db2.gz LWEAOVFZDDOMDD-QFBILLFUSA-N 2 2 375.463 3.868 20 0 GHADLP FC(F)(F)c1ccn(-c2ccc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)n1 ZINC000092071782 834665681 /nfs/dbraw/zinc/66/56/81/834665681.db2.gz IFCOJKWKABSTFK-OAHLLOKOSA-N 2 2 375.398 3.994 20 0 GHADLP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)n1 ZINC000092071782 834665688 /nfs/dbraw/zinc/66/56/88/834665688.db2.gz IFCOJKWKABSTFK-OAHLLOKOSA-N 2 2 375.398 3.994 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(-c2nc(-c3ccccc3OCC[NH+](C)C)no2)c1 ZINC000685311156 834672258 /nfs/dbraw/zinc/67/22/58/834672258.db2.gz MKIPMCAWQHZDLL-UHFFFAOYSA-N 2 2 389.459 3.838 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431614604 835207497 /nfs/dbraw/zinc/20/74/97/835207497.db2.gz PUWSPTFPKBRIKL-UHFFFAOYSA-N 2 2 390.531 3.632 20 0 GHADLP F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000685629669 835238406 /nfs/dbraw/zinc/23/84/06/835238406.db2.gz DSLRFMGEHWVTKZ-ABAIWWIYSA-N 2 2 393.331 3.929 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N(C(C)C)[C@H]3CC[N@H+](Cc4ccccc4)C3)ccn12 ZINC000655158459 835313892 /nfs/dbraw/zinc/31/38/92/835313892.db2.gz BCGQJLJAQXLWSA-NRFANRHFSA-N 2 2 376.504 3.768 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N(C(C)C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccn12 ZINC000655158459 835313900 /nfs/dbraw/zinc/31/39/00/835313900.db2.gz BCGQJLJAQXLWSA-NRFANRHFSA-N 2 2 376.504 3.768 20 0 GHADLP C[C@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000132142841 835315067 /nfs/dbraw/zinc/31/50/67/835315067.db2.gz NKMNDMBQFCFDMH-WMZHIEFXSA-N 2 2 388.515 3.997 20 0 GHADLP C[C@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000132142841 835315079 /nfs/dbraw/zinc/31/50/79/835315079.db2.gz NKMNDMBQFCFDMH-WMZHIEFXSA-N 2 2 388.515 3.997 20 0 GHADLP C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000132143256 835315375 /nfs/dbraw/zinc/31/53/75/835315375.db2.gz NKMNDMBQFCFDMH-CVDCTZTESA-N 2 2 388.515 3.997 20 0 GHADLP C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000132143256 835315380 /nfs/dbraw/zinc/31/53/80/835315380.db2.gz NKMNDMBQFCFDMH-CVDCTZTESA-N 2 2 388.515 3.997 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2OCc2ccccn2)[C@H](C)C1 ZINC000093638799 835347230 /nfs/dbraw/zinc/34/72/30/835347230.db2.gz GLOQHALQVQCUQO-GCJKJVERSA-N 2 2 383.536 3.831 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2OCc2ccccn2)[C@H](C)C1 ZINC000093638799 835347240 /nfs/dbraw/zinc/34/72/40/835347240.db2.gz GLOQHALQVQCUQO-GCJKJVERSA-N 2 2 383.536 3.831 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)ccc2OCc2ccccn2)[C@H](C)C1 ZINC000093638799 835347249 /nfs/dbraw/zinc/34/72/49/835347249.db2.gz GLOQHALQVQCUQO-GCJKJVERSA-N 2 2 383.536 3.831 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)ccc2OCc2ccccn2)[C@H](C)C1 ZINC000093638799 835347256 /nfs/dbraw/zinc/34/72/56/835347256.db2.gz GLOQHALQVQCUQO-GCJKJVERSA-N 2 2 383.536 3.831 20 0 GHADLP FC(F)(F)CCC(CCC(F)(F)F)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658255208 835537984 /nfs/dbraw/zinc/53/79/84/835537984.db2.gz STUJQFDFOYJLLX-AWEZNQCLSA-N 2 2 376.385 3.883 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cnccc1NC(=O)OC(C)(C)C ZINC000796674047 835543498 /nfs/dbraw/zinc/54/34/98/835543498.db2.gz FIHMJEXSPJSGHA-IAGOWNOFSA-N 2 2 376.545 3.766 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cnccc1NC(=O)OC(C)(C)C ZINC000796674047 835543507 /nfs/dbraw/zinc/54/35/07/835543507.db2.gz FIHMJEXSPJSGHA-IAGOWNOFSA-N 2 2 376.545 3.766 20 0 GHADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000655353575 835579210 /nfs/dbraw/zinc/57/92/10/835579210.db2.gz UOSPIMDGVCJFCV-NRSPTQNISA-N 2 2 384.568 3.626 20 0 GHADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000655353575 835579217 /nfs/dbraw/zinc/57/92/17/835579217.db2.gz UOSPIMDGVCJFCV-NRSPTQNISA-N 2 2 384.568 3.626 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCCO2 ZINC000191837831 835762868 /nfs/dbraw/zinc/76/28/68/835762868.db2.gz XOTVMFCWAZMXIK-KNQAVFIVSA-N 2 2 396.531 3.790 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCCO2 ZINC000191837831 835762877 /nfs/dbraw/zinc/76/28/77/835762877.db2.gz XOTVMFCWAZMXIK-KNQAVFIVSA-N 2 2 396.531 3.790 20 0 GHADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000612409849 836192812 /nfs/dbraw/zinc/19/28/12/836192812.db2.gz FZDMFXSOZXCCJC-XLIONFOSSA-N 2 2 393.487 3.607 20 0 GHADLP Clc1ccc(-c2nc3sccn3c2C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000570055398 836330793 /nfs/dbraw/zinc/33/07/93/836330793.db2.gz PLKVDMABURHDFB-UHFFFAOYSA-N 2 2 398.923 3.762 20 0 GHADLP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000109674815 836464701 /nfs/dbraw/zinc/46/47/01/836464701.db2.gz UOKJEYPEUXUQIC-QFIPXVFZSA-N 2 2 378.564 3.733 20 0 GHADLP Cc1ccc(C)c(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000109674815 836464704 /nfs/dbraw/zinc/46/47/04/836464704.db2.gz UOKJEYPEUXUQIC-QFIPXVFZSA-N 2 2 378.564 3.733 20 0 GHADLP Fc1cccc(OC(F)(F)F)c1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000570349058 836728129 /nfs/dbraw/zinc/72/81/29/836728129.db2.gz IRNDXPRPJYUGTN-UHFFFAOYSA-N 2 2 398.400 3.846 20 0 GHADLP Brc1ccc2c(C3CN(c4ccc5c([nH+]4)CCCC5)C3)[nH+]cn2c1 ZINC001167170211 836780452 /nfs/dbraw/zinc/78/04/52/836780452.db2.gz WENQXBBEXSEJNY-UHFFFAOYSA-N 2 2 383.293 3.974 20 0 GHADLP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000247111652 836841266 /nfs/dbraw/zinc/84/12/66/836841266.db2.gz YJUOXYUQVCPORE-CEXWTWQISA-N 2 2 398.551 3.543 20 0 GHADLP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000247111652 836841271 /nfs/dbraw/zinc/84/12/71/836841271.db2.gz YJUOXYUQVCPORE-CEXWTWQISA-N 2 2 398.551 3.543 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1ccn(C)n1 ZINC000414054001 837277425 /nfs/dbraw/zinc/27/74/25/837277425.db2.gz BGXAJQRDCXOCJY-FQEVSTJZSA-N 2 2 389.547 3.593 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377763825 837940662 /nfs/dbraw/zinc/94/06/62/837940662.db2.gz QGKYGGZSXXTBSR-DUXKGJEZSA-N 2 2 389.503 3.647 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377763825 837940668 /nfs/dbraw/zinc/94/06/68/837940668.db2.gz QGKYGGZSXXTBSR-DUXKGJEZSA-N 2 2 389.503 3.647 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377763825 837940673 /nfs/dbraw/zinc/94/06/73/837940673.db2.gz QGKYGGZSXXTBSR-DUXKGJEZSA-N 2 2 389.503 3.647 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377763825 837940676 /nfs/dbraw/zinc/94/06/76/837940676.db2.gz QGKYGGZSXXTBSR-DUXKGJEZSA-N 2 2 389.503 3.647 20 0 GHADLP CC(C)COC(=O)N1CCC([NH2+]CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000236592419 838055129 /nfs/dbraw/zinc/05/51/29/838055129.db2.gz UCSADCGPAIBGQO-UHFFFAOYSA-N 2 2 397.629 3.585 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1OCc1ccncc1 ZINC000655856339 838075103 /nfs/dbraw/zinc/07/51/03/838075103.db2.gz MUWMTXSUSVRXKT-NHCUHLMSSA-N 2 2 381.520 3.776 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1OCc1ccncc1 ZINC000655856339 838075121 /nfs/dbraw/zinc/07/51/21/838075121.db2.gz MUWMTXSUSVRXKT-NHCUHLMSSA-N 2 2 381.520 3.776 20 0 GHADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)cs2)cc1 ZINC000377886335 838105820 /nfs/dbraw/zinc/10/58/20/838105820.db2.gz ASSHTXLBSIGWIX-OAQYLSRUSA-N 2 2 384.593 3.719 20 0 GHADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)cs2)cc1 ZINC000377886335 838105824 /nfs/dbraw/zinc/10/58/24/838105824.db2.gz ASSHTXLBSIGWIX-OAQYLSRUSA-N 2 2 384.593 3.719 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3nc4ccccc4n3C(F)F)C2)CC1 ZINC000377914418 838153167 /nfs/dbraw/zinc/15/31/67/838153167.db2.gz PHHYGJCTUQBVOF-IRXDYDNUSA-N 2 2 391.510 3.593 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3nc4ccccc4n3C(F)F)C2)CC1 ZINC000377914418 838153175 /nfs/dbraw/zinc/15/31/75/838153175.db2.gz PHHYGJCTUQBVOF-IRXDYDNUSA-N 2 2 391.510 3.593 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C)C2)s1 ZINC000564801234 838303682 /nfs/dbraw/zinc/30/36/82/838303682.db2.gz CYDDYDKTRYRQQQ-RBUKOAKNSA-N 2 2 379.614 3.844 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C)C2)s1 ZINC000564801234 838303690 /nfs/dbraw/zinc/30/36/90/838303690.db2.gz CYDDYDKTRYRQQQ-RBUKOAKNSA-N 2 2 379.614 3.844 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C)C2)s1 ZINC000564801234 838303696 /nfs/dbraw/zinc/30/36/96/838303696.db2.gz CYDDYDKTRYRQQQ-RBUKOAKNSA-N 2 2 379.614 3.844 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C)C2)s1 ZINC000564801234 838303703 /nfs/dbraw/zinc/30/37/03/838303703.db2.gz CYDDYDKTRYRQQQ-RBUKOAKNSA-N 2 2 379.614 3.844 20 0 GHADLP [NH3+]Cc1ccc(NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000415962495 838321004 /nfs/dbraw/zinc/32/10/04/838321004.db2.gz SWBKAGXRUYUZNT-SFHVURJKSA-N 2 2 390.890 3.896 20 0 GHADLP CC(=O)N(c1nc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cs1)C1CC1 ZINC000122146133 838485728 /nfs/dbraw/zinc/48/57/28/838485728.db2.gz LBNZVWWQLCWDPA-UHFFFAOYSA-N 2 2 390.597 3.746 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@@H]3c3cccc4ccccc43)CC2)CC1 ZINC000107578662 838782567 /nfs/dbraw/zinc/78/25/67/838782567.db2.gz GGDIAAPLYQRNCV-RPWUZVMVSA-N 2 2 391.559 3.618 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000124213371 838957503 /nfs/dbraw/zinc/95/75/03/838957503.db2.gz BRDXRHOTVRMYED-KBPBESRZSA-N 2 2 383.323 3.778 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000124213371 838957509 /nfs/dbraw/zinc/95/75/09/838957509.db2.gz BRDXRHOTVRMYED-KBPBESRZSA-N 2 2 383.323 3.778 20 0 GHADLP Brc1cccc(-c2c[nH]c(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000415057407 839139255 /nfs/dbraw/zinc/13/92/55/839139255.db2.gz UCQYYKLEJRNHQD-QAPCUYQASA-N 2 2 389.341 3.803 20 0 GHADLP Brc1cccc(-c2c[nH]c(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000415057407 839139259 /nfs/dbraw/zinc/13/92/59/839139259.db2.gz UCQYYKLEJRNHQD-QAPCUYQASA-N 2 2 389.341 3.803 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cscc3C(F)(F)F)[nH+]c2)CC1 ZINC000580261461 839151629 /nfs/dbraw/zinc/15/16/29/839151629.db2.gz IGCGRLAIWFSHQQ-UHFFFAOYSA-N 2 2 384.471 3.726 20 0 GHADLP CC(C)[C@@H]1C[C@@H](CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000683851106 839156031 /nfs/dbraw/zinc/15/60/31/839156031.db2.gz PQUYIDZLUWEWKP-YYDVJCTNSA-N 2 2 383.580 3.588 20 0 GHADLP CC(C)[C@@H]1C[C@@H](CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000683851106 839156038 /nfs/dbraw/zinc/15/60/38/839156038.db2.gz PQUYIDZLUWEWKP-YYDVJCTNSA-N 2 2 383.580 3.588 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1csc(-c2ccccc2F)n1 ZINC000580301870 839200150 /nfs/dbraw/zinc/20/01/50/839200150.db2.gz XRTRNGZDUDUGNH-CQSZACIVSA-N 2 2 383.496 3.927 20 0 GHADLP C[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1nc(-c2ccccc2)no1 ZINC000378551530 839321944 /nfs/dbraw/zinc/32/19/44/839321944.db2.gz OIZDRCKYXWTHRG-AWEZNQCLSA-N 2 2 382.430 3.847 20 0 GHADLP C[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1nc(-c2ccccc2)no1 ZINC000378551531 839322192 /nfs/dbraw/zinc/32/21/92/839322192.db2.gz OIZDRCKYXWTHRG-CQSZACIVSA-N 2 2 382.430 3.847 20 0 GHADLP CC[N@@H+](Cc1c2c(nn1C)CCSC2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000894076159 844477915 /nfs/dbraw/zinc/47/79/15/844477915.db2.gz KALKABKFYPQUSM-LJQANCHMSA-N 2 2 384.593 3.553 20 0 GHADLP CC[N@H+](Cc1c2c(nn1C)CCSC2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000894076159 844477921 /nfs/dbraw/zinc/47/79/21/844477921.db2.gz KALKABKFYPQUSM-LJQANCHMSA-N 2 2 384.593 3.553 20 0 GHADLP CC[NH+](Cc1c2c(nn1C)CCSC2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894076159 844477929 /nfs/dbraw/zinc/47/79/29/844477929.db2.gz KALKABKFYPQUSM-LJQANCHMSA-N 2 2 384.593 3.553 20 0 GHADLP CC[NH+](Cc1c2c(nn1C)CCSC2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894076159 844477936 /nfs/dbraw/zinc/47/79/36/844477936.db2.gz KALKABKFYPQUSM-LJQANCHMSA-N 2 2 384.593 3.553 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000656262445 839921686 /nfs/dbraw/zinc/92/16/86/839921686.db2.gz VRIHSBPNXSVKQL-UHFFFAOYSA-N 2 2 388.313 3.662 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000656262445 839921694 /nfs/dbraw/zinc/92/16/94/839921694.db2.gz VRIHSBPNXSVKQL-UHFFFAOYSA-N 2 2 388.313 3.662 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000429800708 840175534 /nfs/dbraw/zinc/17/55/34/840175534.db2.gz JQYRIRUSTWQBME-KBXCAEBGSA-N 2 2 386.367 3.614 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000429800708 840175544 /nfs/dbraw/zinc/17/55/44/840175544.db2.gz JQYRIRUSTWQBME-KBXCAEBGSA-N 2 2 386.367 3.614 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000429800708 840175554 /nfs/dbraw/zinc/17/55/54/840175554.db2.gz JQYRIRUSTWQBME-KBXCAEBGSA-N 2 2 386.367 3.614 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000429800708 840175564 /nfs/dbraw/zinc/17/55/64/840175564.db2.gz JQYRIRUSTWQBME-KBXCAEBGSA-N 2 2 386.367 3.614 20 0 GHADLP C[C@H](CC[NH2+][C@@H](CO)c1ccc(Cl)cc1)[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000580920333 840426485 /nfs/dbraw/zinc/42/64/85/840426485.db2.gz GFNQYZAZONRIGR-VOBQZIQPSA-N 2 2 397.346 3.718 20 0 GHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000093742345 840488738 /nfs/dbraw/zinc/48/87/38/840488738.db2.gz USHCUGCOJOJBAJ-HNNXBMFYSA-N 2 2 379.342 3.889 20 0 GHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000093742345 840488743 /nfs/dbraw/zinc/48/87/43/840488743.db2.gz USHCUGCOJOJBAJ-HNNXBMFYSA-N 2 2 379.342 3.889 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000093742345 840488747 /nfs/dbraw/zinc/48/87/47/840488747.db2.gz USHCUGCOJOJBAJ-HNNXBMFYSA-N 2 2 379.342 3.889 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000093742345 840488753 /nfs/dbraw/zinc/48/87/53/840488753.db2.gz USHCUGCOJOJBAJ-HNNXBMFYSA-N 2 2 379.342 3.889 20 0 GHADLP Cc1ccccc1C[NH+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000510365859 840701649 /nfs/dbraw/zinc/70/16/49/840701649.db2.gz ZSZFISSVRVBJIB-UHFFFAOYSA-N 2 2 391.515 3.761 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654779 841069382 /nfs/dbraw/zinc/06/93/82/841069382.db2.gz CUQNOKXSXGMDEN-XLNZFTOWSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654779 841069396 /nfs/dbraw/zinc/06/93/96/841069396.db2.gz CUQNOKXSXGMDEN-XLNZFTOWSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654779 841069407 /nfs/dbraw/zinc/06/94/07/841069407.db2.gz CUQNOKXSXGMDEN-XLNZFTOWSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654779 841069420 /nfs/dbraw/zinc/06/94/20/841069420.db2.gz CUQNOKXSXGMDEN-XLNZFTOWSA-N 2 2 379.548 3.823 20 0 GHADLP COc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(C)c1OC ZINC000584860146 841101205 /nfs/dbraw/zinc/10/12/05/841101205.db2.gz NKHRMCPMWLJTOM-UHFFFAOYSA-N 2 2 386.458 3.907 20 0 GHADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n(C)n1 ZINC000417920773 841275465 /nfs/dbraw/zinc/27/54/65/841275465.db2.gz GYPKPIFODNQBTG-VQIMIIECSA-N 2 2 380.458 3.920 20 0 GHADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n(C)n1 ZINC000417920773 841275473 /nfs/dbraw/zinc/27/54/73/841275473.db2.gz GYPKPIFODNQBTG-VQIMIIECSA-N 2 2 380.458 3.920 20 0 GHADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cncc(Br)c3)CC2)C[C@H](C)O1 ZINC000177496862 861193344 /nfs/dbraw/zinc/19/33/44/861193344.db2.gz GDQZGXHHWOZCLF-IYBDPMFKSA-N 2 2 396.373 3.555 20 0 GHADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cncc(Br)c3)CC2)C[C@H](C)O1 ZINC000177496862 861193346 /nfs/dbraw/zinc/19/33/46/861193346.db2.gz GDQZGXHHWOZCLF-IYBDPMFKSA-N 2 2 396.373 3.555 20 0 GHADLP CC(C)c1ccc(C(C)(C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000594382044 841687130 /nfs/dbraw/zinc/68/71/30/841687130.db2.gz XMXJIKYJNGQDKW-UHFFFAOYSA-N 2 2 394.563 3.769 20 0 GHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000652038251 841902761 /nfs/dbraw/zinc/90/27/61/841902761.db2.gz NMAPBNYGBXDSGJ-UHFFFAOYSA-N 2 2 380.357 3.557 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(-c3cnn(C)c3)s2)cc1 ZINC000656790403 841929236 /nfs/dbraw/zinc/92/92/36/841929236.db2.gz QBYXYFHHEMHLBQ-SFTDATJTSA-N 2 2 396.560 3.783 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000432350603 842134151 /nfs/dbraw/zinc/13/41/51/842134151.db2.gz ZGOAPDLHTKCADG-QTDGGUCWSA-N 2 2 391.559 3.995 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000432350603 842134154 /nfs/dbraw/zinc/13/41/54/842134154.db2.gz ZGOAPDLHTKCADG-QTDGGUCWSA-N 2 2 391.559 3.995 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177923546 861284183 /nfs/dbraw/zinc/28/41/83/861284183.db2.gz NIKZLXRNBGWJNF-GOSISDBHSA-N 2 2 391.519 3.566 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177923546 861284202 /nfs/dbraw/zinc/28/42/02/861284202.db2.gz NIKZLXRNBGWJNF-GOSISDBHSA-N 2 2 391.519 3.566 20 0 GHADLP Cc1nc(-c2cc([C@@H](C)[NH2+][C@@H]3C[NH2+]CC4(CCOCC4)C3)cs2)cs1 ZINC000925797401 842226857 /nfs/dbraw/zinc/22/68/57/842226857.db2.gz ODZWTMYODOFZDW-CJNGLKHVSA-N 2 2 377.579 3.989 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3c2c(Br)ccc3F)CCCO1 ZINC000432411684 842406516 /nfs/dbraw/zinc/40/65/16/842406516.db2.gz ABQDZLVPCOGFCG-DYVFJYSZSA-N 2 2 385.321 3.666 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2c(Br)ccc3F)CCCO1 ZINC000432411684 842406522 /nfs/dbraw/zinc/40/65/22/842406522.db2.gz ABQDZLVPCOGFCG-DYVFJYSZSA-N 2 2 385.321 3.666 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC001126190921 842583278 /nfs/dbraw/zinc/58/32/78/842583278.db2.gz JFIGYNAJNAXYBM-OFNKIYASSA-N 2 2 379.548 3.802 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC001126190921 842583283 /nfs/dbraw/zinc/58/32/83/842583283.db2.gz JFIGYNAJNAXYBM-OFNKIYASSA-N 2 2 379.548 3.802 20 0 GHADLP COc1cccc(OC)c1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000512127543 842584090 /nfs/dbraw/zinc/58/40/90/842584090.db2.gz CVJXZXBGDNRUQV-HDICACEKSA-N 2 2 384.520 3.603 20 0 GHADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000581938519 842767875 /nfs/dbraw/zinc/76/78/75/842767875.db2.gz GGDFVBWJAGBYLJ-LJQANCHMSA-N 2 2 397.567 3.881 20 0 GHADLP CC(C)C[C@@H]([NH3+])c1noc([C@@H]([NH3+])Cc2ccc(OCc3ccccc3)cc2)n1 ZINC000663251913 842902051 /nfs/dbraw/zinc/90/20/51/842902051.db2.gz YAFDDXSITOXXLI-UXHICEINSA-N 2 2 380.492 3.937 20 0 GHADLP FC(F)(F)c1ccccc1[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662280309 843061638 /nfs/dbraw/zinc/06/16/38/843061638.db2.gz NZHLLDHMKKYZGG-FQEVSTJZSA-N 2 2 376.422 3.925 20 0 GHADLP FC(F)(F)c1ccccc1[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662280309 843061650 /nfs/dbraw/zinc/06/16/50/843061650.db2.gz NZHLLDHMKKYZGG-FQEVSTJZSA-N 2 2 376.422 3.925 20 0 GHADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000510654974 843137814 /nfs/dbraw/zinc/13/78/14/843137814.db2.gz DVSUWRXPHLDUFO-QFBILLFUSA-N 2 2 399.501 3.559 20 0 GHADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000510654974 843137818 /nfs/dbraw/zinc/13/78/18/843137818.db2.gz DVSUWRXPHLDUFO-QFBILLFUSA-N 2 2 399.501 3.559 20 0 GHADLP Cc1cccc([C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c2cccc(F)c2)c1 ZINC000510658785 843145205 /nfs/dbraw/zinc/14/52/05/843145205.db2.gz VJEXJVUMPNGIBF-DHIUTWEWSA-N 2 2 397.538 3.756 20 0 GHADLP Cc1cccc([C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c2cccc(F)c2)c1 ZINC000510658785 843145216 /nfs/dbraw/zinc/14/52/16/843145216.db2.gz VJEXJVUMPNGIBF-DHIUTWEWSA-N 2 2 397.538 3.756 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000178656954 861393947 /nfs/dbraw/zinc/39/39/47/861393947.db2.gz IGIFNGCCOXMSBI-MRXNPFEDSA-N 2 2 385.371 3.686 20 0 GHADLP C[NH2+][C@@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1cccc(Cl)c1Cl ZINC000662463234 843295674 /nfs/dbraw/zinc/29/56/74/843295674.db2.gz WLQNEGDTZIZAJR-GOSISDBHSA-N 2 2 398.309 3.771 20 0 GHADLP Cc1ccc(OC[C@@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000512288285 843321401 /nfs/dbraw/zinc/32/14/01/843321401.db2.gz MPETZDQWRGHXDL-QHCPKHFHSA-N 2 2 382.548 3.640 20 0 GHADLP Cc1ccc(OC[C@@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000512288285 843321413 /nfs/dbraw/zinc/32/14/13/843321413.db2.gz MPETZDQWRGHXDL-QHCPKHFHSA-N 2 2 382.548 3.640 20 0 GHADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247329267 843413523 /nfs/dbraw/zinc/41/35/23/843413523.db2.gz GJCIYCRFSACFSY-CPUCHLNUSA-N 2 2 391.313 3.556 20 0 GHADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247329267 843413531 /nfs/dbraw/zinc/41/35/31/843413531.db2.gz GJCIYCRFSACFSY-CPUCHLNUSA-N 2 2 391.313 3.556 20 0 GHADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(-c3ccccc3Cl)on2)CC1 ZINC000419276292 843816146 /nfs/dbraw/zinc/81/61/46/843816146.db2.gz DUMPOTFDSZBWKC-UHFFFAOYSA-N 2 2 376.932 3.501 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000152101074 844719520 /nfs/dbraw/zinc/71/95/20/844719520.db2.gz ADDHSGSCFRHVCW-LJQANCHMSA-N 3 2 378.520 3.723 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000152106069 844731192 /nfs/dbraw/zinc/73/11/92/844731192.db2.gz ZQDQHZYFHVSEQS-RXVVDRJESA-N 2 2 383.540 3.518 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CCC2 ZINC000512624307 844819012 /nfs/dbraw/zinc/81/90/12/844819012.db2.gz ICEKSZASGGVYNB-MYDTUXCISA-N 3 2 378.564 3.959 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CCC2 ZINC000512624307 844819016 /nfs/dbraw/zinc/81/90/16/844819016.db2.gz ICEKSZASGGVYNB-MYDTUXCISA-N 3 2 378.564 3.959 20 0 GHADLP c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000512662755 844917922 /nfs/dbraw/zinc/91/79/22/844917922.db2.gz ADMZIPATLDIJBO-JRFVFWCSSA-N 2 2 390.575 3.719 20 0 GHADLP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000512662755 844917932 /nfs/dbraw/zinc/91/79/32/844917932.db2.gz ADMZIPATLDIJBO-JRFVFWCSSA-N 2 2 390.575 3.719 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H]([NH3+])c3ccc(C(C)C)cc3)cn2c1 ZINC000236821414 845248610 /nfs/dbraw/zinc/24/86/10/845248610.db2.gz DVINIJABPACSQS-HXUWFJFHSA-N 2 2 396.560 3.816 20 0 GHADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000673741319 861555269 /nfs/dbraw/zinc/55/52/69/861555269.db2.gz VNBCXALVGGQBNM-RHSMWYFYSA-N 2 2 398.378 3.724 20 0 GHADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000673741319 861555276 /nfs/dbraw/zinc/55/52/76/861555276.db2.gz VNBCXALVGGQBNM-RHSMWYFYSA-N 2 2 398.378 3.724 20 0 GHADLP Fc1ccccc1N1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000513392673 845346979 /nfs/dbraw/zinc/34/69/79/845346979.db2.gz VSUSVFQVCMQIGE-UHFFFAOYSA-N 2 2 396.554 3.550 20 0 GHADLP Fc1ccccc1N1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000513392673 845346992 /nfs/dbraw/zinc/34/69/92/845346992.db2.gz VSUSVFQVCMQIGE-UHFFFAOYSA-N 2 2 396.554 3.550 20 0 GHADLP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2cc(O)cc(F)c2)CC1 ZINC000472043452 845567099 /nfs/dbraw/zinc/56/70/99/845567099.db2.gz UNSDESMINWIROT-UHFFFAOYSA-N 2 2 397.416 3.592 20 0 GHADLP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959817 845578644 /nfs/dbraw/zinc/57/86/44/845578644.db2.gz UCAICXNAUSOKKQ-OAHLLOKOSA-N 2 2 378.467 3.537 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4c3c(F)ccc4F)cc2)CC1 ZINC000513524054 845587072 /nfs/dbraw/zinc/58/70/72/845587072.db2.gz DRMQIVZSKODDEX-QFIPXVFZSA-N 2 2 385.502 3.879 20 0 GHADLP C[NH+](C)[C@H]1CCC[NH+](Cc2ccccc2C[N@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000277315913 845697011 /nfs/dbraw/zinc/69/70/11/845697011.db2.gz UWRLWLAXTXTIBZ-ZEQRLZLVSA-N 4 2 386.628 3.519 20 0 GHADLP C[NH+](C)[C@H]1CCC[NH+](Cc2ccccc2C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000277315913 845697018 /nfs/dbraw/zinc/69/70/18/845697018.db2.gz UWRLWLAXTXTIBZ-ZEQRLZLVSA-N 4 2 386.628 3.519 20 0 GHADLP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657310163 845978818 /nfs/dbraw/zinc/97/88/18/845978818.db2.gz MNALCGQGWHRJOF-UHFFFAOYSA-N 3 2 375.520 3.789 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502561336 846206704 /nfs/dbraw/zinc/20/67/04/846206704.db2.gz QEBRFCOYPPXPCV-ZTNFWEORSA-N 2 2 381.923 3.605 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502561336 846206713 /nfs/dbraw/zinc/20/67/13/846206713.db2.gz QEBRFCOYPPXPCV-ZTNFWEORSA-N 2 2 381.923 3.605 20 0 GHADLP C[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502561336 846206720 /nfs/dbraw/zinc/20/67/20/846206720.db2.gz QEBRFCOYPPXPCV-ZTNFWEORSA-N 2 2 381.923 3.605 20 0 GHADLP C[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502561336 846206727 /nfs/dbraw/zinc/20/67/27/846206727.db2.gz QEBRFCOYPPXPCV-ZTNFWEORSA-N 2 2 381.923 3.605 20 0 GHADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000502706208 846367511 /nfs/dbraw/zinc/36/75/11/846367511.db2.gz DXANAUYULAPLHZ-RXVVDRJESA-N 2 2 379.976 3.647 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657362993 846554441 /nfs/dbraw/zinc/55/44/41/846554441.db2.gz DENODGUFAXAZTD-KSSFIOAISA-N 2 2 379.426 3.822 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657362993 846554449 /nfs/dbraw/zinc/55/44/49/846554449.db2.gz DENODGUFAXAZTD-KSSFIOAISA-N 2 2 379.426 3.822 20 0 GHADLP COc1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)c(F)c1 ZINC000421819525 846600143 /nfs/dbraw/zinc/60/01/43/846600143.db2.gz HOLRETAZPJJGJZ-HSZRJFAPSA-N 2 2 384.495 3.907 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc4c(s3)CCCCC4)CC2)CC1 ZINC000422003058 846741611 /nfs/dbraw/zinc/74/16/11/846741611.db2.gz CDCFHWDUHPYDFF-UHFFFAOYSA-N 2 2 389.609 3.649 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc4c(s3)CCCCC4)CC2)CC1 ZINC000422003058 846741619 /nfs/dbraw/zinc/74/16/19/846741619.db2.gz CDCFHWDUHPYDFF-UHFFFAOYSA-N 2 2 389.609 3.649 20 0 GHADLP CCCc1cc(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)sc1C ZINC000422004088 846743361 /nfs/dbraw/zinc/74/33/61/846743361.db2.gz FPWOKJXGWQKDTR-UHFFFAOYSA-N 2 2 377.598 3.641 20 0 GHADLP CCCc1cc(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)sc1C ZINC000422004088 846743371 /nfs/dbraw/zinc/74/33/71/846743371.db2.gz FPWOKJXGWQKDTR-UHFFFAOYSA-N 2 2 377.598 3.641 20 0 GHADLP CCSCc1ccc(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000422006592 846745119 /nfs/dbraw/zinc/74/51/19/846745119.db2.gz MDQOEOKCVQCRMM-UHFFFAOYSA-N 2 2 389.609 3.572 20 0 GHADLP CCSCc1ccc(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000422006592 846745127 /nfs/dbraw/zinc/74/51/27/846745127.db2.gz MDQOEOKCVQCRMM-UHFFFAOYSA-N 2 2 389.609 3.572 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc([C@H]4C[C@@H]4C)o3)CC2)CC1 ZINC000422028076 846758768 /nfs/dbraw/zinc/75/87/68/846758768.db2.gz XEXOAAFZKUTMQS-ZIBCJSCZSA-N 2 2 399.579 3.525 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc([C@H]4C[C@@H]4C)o3)CC2)CC1 ZINC000422028076 846758772 /nfs/dbraw/zinc/75/87/72/846758772.db2.gz XEXOAAFZKUTMQS-ZIBCJSCZSA-N 2 2 399.579 3.525 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc2c(c1)CCCC2 ZINC000503076915 846779387 /nfs/dbraw/zinc/77/93/87/846779387.db2.gz WGRWEYXMAOFAGD-KGYLXKDPSA-N 2 2 394.563 3.911 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc2c(c1)CCCC2 ZINC000503076915 846779392 /nfs/dbraw/zinc/77/93/92/846779392.db2.gz WGRWEYXMAOFAGD-KGYLXKDPSA-N 2 2 394.563 3.911 20 0 GHADLP C[C@@H](c1nnc(SCC[C@@H]2CCCC[N@@H+]2C)n1-c1ccc(F)cc1)[NH+](C)C ZINC000501658202 847078976 /nfs/dbraw/zinc/07/89/76/847078976.db2.gz MHNLHSDSCGEHMA-RDJZCZTQSA-N 2 2 391.560 3.996 20 0 GHADLP C[C@@H](c1nnc(SCC[C@@H]2CCCC[N@H+]2C)n1-c1ccc(F)cc1)[NH+](C)C ZINC000501658202 847078980 /nfs/dbraw/zinc/07/89/80/847078980.db2.gz MHNLHSDSCGEHMA-RDJZCZTQSA-N 2 2 391.560 3.996 20 0 GHADLP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000420330994 847127945 /nfs/dbraw/zinc/12/79/45/847127945.db2.gz BGLRTGHBYHHZOY-OAHLLOKOSA-N 2 2 389.849 3.761 20 0 GHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2nc(-c3ccncc3)cs2)CC1 ZINC000272624295 847128451 /nfs/dbraw/zinc/12/84/51/847128451.db2.gz YUINVSWEPYUERO-UHFFFAOYSA-N 2 2 384.471 3.754 20 0 GHADLP Cc1sc(NC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)nc1-c1ccc(Cl)cc1 ZINC000420357373 847137101 /nfs/dbraw/zinc/13/71/01/847137101.db2.gz HNOKRSNKBOEWGS-HNNXBMFYSA-N 2 2 392.956 3.688 20 0 GHADLP [NH3+]C[C@@H]([NH2+]CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C1CCCCC1 ZINC000420366879 847141864 /nfs/dbraw/zinc/14/18/64/847141864.db2.gz UYXBDRLZGUFWOB-WIYYLYMNSA-N 2 2 389.540 3.590 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000563373525 847397945 /nfs/dbraw/zinc/39/79/45/847397945.db2.gz IMSAPSKPIVXTFO-KBXCAEBGSA-N 2 2 396.457 3.806 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000563373525 847397953 /nfs/dbraw/zinc/39/79/53/847397953.db2.gz IMSAPSKPIVXTFO-KBXCAEBGSA-N 2 2 396.457 3.806 20 0 GHADLP c1csc(C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]2CCCO2)c1 ZINC000420899702 847519550 /nfs/dbraw/zinc/51/95/50/847519550.db2.gz HOGWOQWNMOIWKR-OAQYLSRUSA-N 2 2 386.561 3.762 20 0 GHADLP c1csc(C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]2CCCO2)c1 ZINC000420899702 847519557 /nfs/dbraw/zinc/51/95/57/847519557.db2.gz HOGWOQWNMOIWKR-OAQYLSRUSA-N 2 2 386.561 3.762 20 0 GHADLP CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420907182 847524037 /nfs/dbraw/zinc/52/40/37/847524037.db2.gz UPVIEUWYZRMZHW-UHFFFAOYSA-N 2 2 395.547 3.678 20 0 GHADLP CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420907182 847524045 /nfs/dbraw/zinc/52/40/45/847524045.db2.gz UPVIEUWYZRMZHW-UHFFFAOYSA-N 2 2 395.547 3.678 20 0 GHADLP CC(C)OC(=O)C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000420950501 847572286 /nfs/dbraw/zinc/57/22/86/847572286.db2.gz RGDORJYJTHYLNI-HSZRJFAPSA-N 2 2 396.531 3.691 20 0 GHADLP CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000420954010 847574786 /nfs/dbraw/zinc/57/47/86/847574786.db2.gz VPLFTPVGYHOUBO-QHCPKHFHSA-N 2 2 396.531 3.691 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000657461602 847579081 /nfs/dbraw/zinc/57/90/81/847579081.db2.gz IOSNGJJGUUARRD-KRWDZBQOSA-N 2 2 380.458 3.829 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000657461602 847579089 /nfs/dbraw/zinc/57/90/89/847579089.db2.gz IOSNGJJGUUARRD-KRWDZBQOSA-N 2 2 380.458 3.829 20 0 GHADLP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000503372040 847635165 /nfs/dbraw/zinc/63/51/65/847635165.db2.gz GTJBTSMZXUNIFR-LJQANCHMSA-N 2 2 380.536 3.840 20 0 GHADLP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000503372040 847635169 /nfs/dbraw/zinc/63/51/69/847635169.db2.gz GTJBTSMZXUNIFR-LJQANCHMSA-N 2 2 380.536 3.840 20 0 GHADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](c1sccc1Br)C1CCCCC1 ZINC000560244254 847639913 /nfs/dbraw/zinc/63/99/13/847639913.db2.gz BNJAAMSNCGTRRS-DZGCQCFKSA-N 2 2 375.376 3.644 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1C ZINC000051755837 847648664 /nfs/dbraw/zinc/64/86/64/847648664.db2.gz FDPHUAGIBNWPER-UHFFFAOYSA-N 2 2 388.556 3.505 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc(SC)c3C)CC2)CC1 ZINC000421091432 847710235 /nfs/dbraw/zinc/71/02/35/847710235.db2.gz PFJIAYSPOPWXMG-UHFFFAOYSA-N 2 2 390.597 3.741 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc(SC)c3C)CC2)CC1 ZINC000421091432 847710244 /nfs/dbraw/zinc/71/02/44/847710244.db2.gz PFJIAYSPOPWXMG-UHFFFAOYSA-N 2 2 390.597 3.741 20 0 GHADLP COc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])N2CCCCC2)cc1 ZINC000422769882 847815709 /nfs/dbraw/zinc/81/57/09/847815709.db2.gz VLFMBGPIINFESF-IEXUWNMDSA-N 2 2 381.564 3.770 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000422785079 847821766 /nfs/dbraw/zinc/82/17/66/847821766.db2.gz JHOCGVJTHBOLHA-DYESRHJHSA-N 2 2 394.494 3.535 20 0 GHADLP C[N@@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764231 847824271 /nfs/dbraw/zinc/82/42/71/847824271.db2.gz PPQWPIOXVBWYRS-QBAGFEOCSA-N 3 2 381.486 3.961 20 0 GHADLP C[N@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764231 847824273 /nfs/dbraw/zinc/82/42/73/847824273.db2.gz PPQWPIOXVBWYRS-QBAGFEOCSA-N 3 2 381.486 3.961 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000422943092 847900876 /nfs/dbraw/zinc/90/08/76/847900876.db2.gz KBORNKDNXNOGIF-UIAACRFSSA-N 2 2 389.337 3.895 20 0 GHADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1c2ccccc2CCc2ccccc21 ZINC000685035918 848515030 /nfs/dbraw/zinc/51/50/30/848515030.db2.gz RKRQSHIYFDVSMM-OAQYLSRUSA-N 2 2 386.499 3.984 20 0 GHADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1c2ccccc2CCc2ccccc21 ZINC000685035918 848515036 /nfs/dbraw/zinc/51/50/36/848515036.db2.gz RKRQSHIYFDVSMM-OAQYLSRUSA-N 2 2 386.499 3.984 20 0 GHADLP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000161720890 848705310 /nfs/dbraw/zinc/70/53/10/848705310.db2.gz CMYQJSQRTPOMSK-FCHUYYIVSA-N 2 2 389.503 3.995 20 0 GHADLP CCN1CC[C@@]2(CCC[N@@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)C1=O ZINC001168045656 861945694 /nfs/dbraw/zinc/94/56/94/861945694.db2.gz LFJMYBQHUMEVEF-DAVFGYKESA-N 2 2 383.580 3.762 20 0 GHADLP CCN1CC[C@@]2(CCC[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)C1=O ZINC001168045656 861945699 /nfs/dbraw/zinc/94/56/99/861945699.db2.gz LFJMYBQHUMEVEF-DAVFGYKESA-N 2 2 383.580 3.762 20 0 GHADLP CCN1CC[C@@]2(CCC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)C1=O ZINC001168045656 861945712 /nfs/dbraw/zinc/94/57/12/861945712.db2.gz LFJMYBQHUMEVEF-DAVFGYKESA-N 2 2 383.580 3.762 20 0 GHADLP CCN1CC[C@@]2(CCC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)C1=O ZINC001168045656 861945725 /nfs/dbraw/zinc/94/57/25/861945725.db2.gz LFJMYBQHUMEVEF-DAVFGYKESA-N 2 2 383.580 3.762 20 0 GHADLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1O ZINC000583136293 849151352 /nfs/dbraw/zinc/15/13/52/849151352.db2.gz PFFSHGMJWLOGAR-XLIONFOSSA-N 2 2 384.520 3.894 20 0 GHADLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1O ZINC000583136293 849151358 /nfs/dbraw/zinc/15/13/58/849151358.db2.gz PFFSHGMJWLOGAR-XLIONFOSSA-N 2 2 384.520 3.894 20 0 GHADLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1O ZINC000583136293 849151365 /nfs/dbraw/zinc/15/13/65/849151365.db2.gz PFFSHGMJWLOGAR-XLIONFOSSA-N 2 2 384.520 3.894 20 0 GHADLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1O ZINC000583136293 849151371 /nfs/dbraw/zinc/15/13/71/849151371.db2.gz PFFSHGMJWLOGAR-XLIONFOSSA-N 2 2 384.520 3.894 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cn(-c3ccc(Cl)cc3Cl)nn1)CCC2 ZINC000535941991 849180205 /nfs/dbraw/zinc/18/02/05/849180205.db2.gz DTGWLTIHMOHNQI-CYBMUJFWSA-N 2 2 391.306 3.746 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000583220067 849365105 /nfs/dbraw/zinc/36/51/05/849365105.db2.gz FNJOLTILFZPUDT-MOPGFXCFSA-N 2 2 394.544 3.947 20 0 GHADLP C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155163984 849466537 /nfs/dbraw/zinc/46/65/37/849466537.db2.gz QVOGPHYCEOWERK-KRWDZBQOSA-N 2 2 392.478 3.967 20 0 GHADLP C[C@@H](NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423104741 849754914 /nfs/dbraw/zinc/75/49/14/849754914.db2.gz MPCZHKHUZPCVAT-KBRIMQKVSA-N 2 2 377.882 3.995 20 0 GHADLP C[C@@H](NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423104741 849754918 /nfs/dbraw/zinc/75/49/18/849754918.db2.gz MPCZHKHUZPCVAT-KBRIMQKVSA-N 2 2 377.882 3.995 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423156927 849767317 /nfs/dbraw/zinc/76/73/17/849767317.db2.gz UOVPQEDQTLDDOJ-DHLKQENFSA-N 3 2 391.559 3.887 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423156927 849767321 /nfs/dbraw/zinc/76/73/21/849767321.db2.gz UOVPQEDQTLDDOJ-DHLKQENFSA-N 3 2 391.559 3.887 20 0 GHADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000425201088 849795928 /nfs/dbraw/zinc/79/59/28/849795928.db2.gz AJJOFEUUILTSHJ-QFIPXVFZSA-N 2 2 390.531 3.831 20 0 GHADLP CN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425209947 849820821 /nfs/dbraw/zinc/82/08/21/849820821.db2.gz VISZHWBASZGJPD-YADHBBJMSA-N 2 2 388.515 3.665 20 0 GHADLP CN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425209947 849820829 /nfs/dbraw/zinc/82/08/29/849820829.db2.gz VISZHWBASZGJPD-YADHBBJMSA-N 2 2 388.515 3.665 20 0 GHADLP CN1C(=O)CCc2cc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)ccc21 ZINC000282148533 849905622 /nfs/dbraw/zinc/90/56/22/849905622.db2.gz SNIABXUPHCGFJP-IBGZPJMESA-N 2 2 378.520 3.508 20 0 GHADLP CN1C(=O)CCc2cc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)ccc21 ZINC000282148533 849905630 /nfs/dbraw/zinc/90/56/30/849905630.db2.gz SNIABXUPHCGFJP-IBGZPJMESA-N 2 2 378.520 3.508 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CC[NH2+]1 ZINC000423404180 849910438 /nfs/dbraw/zinc/91/04/38/849910438.db2.gz YZJVQYFLGIFKQY-LXGCGDOSSA-N 2 2 392.952 3.563 20 0 GHADLP Brc1cccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc2)c1 ZINC000423490002 849952775 /nfs/dbraw/zinc/95/27/75/849952775.db2.gz HEGBVAGSQVRRQB-MOPGFXCFSA-N 2 2 375.310 3.507 20 0 GHADLP CC[N@H+](CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)Cc1ccccc1Cl ZINC000504343128 850023063 /nfs/dbraw/zinc/02/30/63/850023063.db2.gz LSRVDORJEKWMSG-ZWKOTPCHSA-N 2 2 391.987 3.931 20 0 GHADLP CC[N@@H+](CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)Cc1ccccc1Cl ZINC000504343128 850023071 /nfs/dbraw/zinc/02/30/71/850023071.db2.gz LSRVDORJEKWMSG-ZWKOTPCHSA-N 2 2 391.987 3.931 20 0 GHADLP CC[NH+](CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)Cc1ccccc1Cl ZINC000504343128 850023077 /nfs/dbraw/zinc/02/30/77/850023077.db2.gz LSRVDORJEKWMSG-ZWKOTPCHSA-N 2 2 391.987 3.931 20 0 GHADLP CC[NH+](CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)Cc1ccccc1Cl ZINC000504343128 850023084 /nfs/dbraw/zinc/02/30/84/850023084.db2.gz LSRVDORJEKWMSG-ZWKOTPCHSA-N 2 2 391.987 3.931 20 0 GHADLP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000423829864 850077974 /nfs/dbraw/zinc/07/79/74/850077974.db2.gz PNZZKBZGJFLVRP-NXXSPTCGSA-N 2 2 375.875 3.674 20 0 GHADLP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000423829864 850077983 /nfs/dbraw/zinc/07/79/83/850077983.db2.gz PNZZKBZGJFLVRP-NXXSPTCGSA-N 2 2 375.875 3.674 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425286616 850145028 /nfs/dbraw/zinc/14/50/28/850145028.db2.gz UTYZZLPBUKRFSX-UNMCSNQZSA-N 2 2 388.515 3.570 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425286616 850145031 /nfs/dbraw/zinc/14/50/31/850145031.db2.gz UTYZZLPBUKRFSX-UNMCSNQZSA-N 2 2 388.515 3.570 20 0 GHADLP Fc1cc(Br)ccc1C1CC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000668693077 850146307 /nfs/dbraw/zinc/14/63/07/850146307.db2.gz QWMCKYXSUHYMEZ-IMRCBTMISA-N 2 2 397.332 3.677 20 0 GHADLP C[C@H](c1cccc(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)c1)[NH+]1CCOCC1 ZINC000514860559 850397396 /nfs/dbraw/zinc/39/73/96/850397396.db2.gz MDYIVOCFVGYCGD-UTKZUKDTSA-N 2 2 381.520 3.745 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1Br ZINC000481722962 862129551 /nfs/dbraw/zinc/12/95/51/862129551.db2.gz CFKYARDYEHCJNE-JXFKEZNVSA-N 2 2 388.353 3.887 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1Br ZINC000481722962 862129556 /nfs/dbraw/zinc/12/95/56/862129556.db2.gz CFKYARDYEHCJNE-JXFKEZNVSA-N 2 2 388.353 3.887 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000515344446 850927713 /nfs/dbraw/zinc/92/77/13/850927713.db2.gz IUHZKPXQKRIJJK-IRXDYDNUSA-N 2 2 377.492 3.612 20 0 GHADLP Cc1cc(N2CC[NH+]([C@H](C)C(=O)Nc3cccc(F)c3)CC2)c2ccccc2[nH+]1 ZINC000515480785 851080891 /nfs/dbraw/zinc/08/08/91/851080891.db2.gz YZDTVRSSKZTCSB-QGZVFWFLSA-N 2 2 392.478 3.832 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)C ZINC000434416589 851103401 /nfs/dbraw/zinc/10/34/01/851103401.db2.gz PNYROZHWZPVTGP-UHFFFAOYSA-N 2 2 389.588 3.617 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C3CCC4(CCCO4)CC3)CC2)cc1 ZINC000519521480 851214903 /nfs/dbraw/zinc/21/49/03/851214903.db2.gz GTWFKRVZHDLZNL-UHFFFAOYSA-N 2 2 385.552 3.691 20 0 GHADLP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000488264242 851327362 /nfs/dbraw/zinc/32/73/62/851327362.db2.gz BMLWBEQYWCDYOW-HNNXBMFYSA-N 2 2 396.373 3.830 20 0 GHADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1 ZINC000505458615 851425834 /nfs/dbraw/zinc/42/58/34/851425834.db2.gz BHAYTVJEGXTBMZ-QFIPXVFZSA-N 2 2 383.511 3.844 20 0 GHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1 ZINC000505458615 851425844 /nfs/dbraw/zinc/42/58/44/851425844.db2.gz BHAYTVJEGXTBMZ-QFIPXVFZSA-N 2 2 383.511 3.844 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425150478 851500354 /nfs/dbraw/zinc/50/03/54/851500354.db2.gz XZPLTONQNKFHLR-BVYCBKJFSA-N 2 2 388.515 3.883 20 0 GHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425150478 851500360 /nfs/dbraw/zinc/50/03/60/851500360.db2.gz XZPLTONQNKFHLR-BVYCBKJFSA-N 2 2 388.515 3.883 20 0 GHADLP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000111056156 851518064 /nfs/dbraw/zinc/51/80/64/851518064.db2.gz IKSWMGLSWRMPGD-LEWJYISDSA-N 2 2 387.568 3.652 20 0 GHADLP Cc1c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccn1C(C)C ZINC000489133010 852052254 /nfs/dbraw/zinc/05/22/54/852052254.db2.gz WFIMUNIORCXMTK-YADHBBJMSA-N 2 2 388.600 3.787 20 0 GHADLP Cc1c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccn1C(C)C ZINC000489133010 852052259 /nfs/dbraw/zinc/05/22/59/852052259.db2.gz WFIMUNIORCXMTK-YADHBBJMSA-N 2 2 388.600 3.787 20 0 GHADLP Fc1cc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc(F)c1F ZINC000517542732 852072885 /nfs/dbraw/zinc/07/28/85/852072885.db2.gz LYHOAOIWTHRWSK-UHFFFAOYSA-N 2 2 391.481 3.792 20 0 GHADLP Cc1cc(O)c(C(C)C)cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000436612254 852112520 /nfs/dbraw/zinc/11/25/20/852112520.db2.gz QCBWFEXEFWTNOC-UHFFFAOYSA-N 2 2 387.568 3.504 20 0 GHADLP COc1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc(OC)c1OCC(F)F ZINC000516171417 852240993 /nfs/dbraw/zinc/24/09/93/852240993.db2.gz OKRPWULWSFNZEC-INIZCTEOSA-N 2 2 386.483 3.654 20 0 GHADLP COc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc(OC)c1OCC(F)F ZINC000516171417 852241004 /nfs/dbraw/zinc/24/10/04/852241004.db2.gz OKRPWULWSFNZEC-INIZCTEOSA-N 2 2 386.483 3.654 20 0 GHADLP COc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc(OC)c1OCC(F)F ZINC000516171417 852241010 /nfs/dbraw/zinc/24/10/10/852241010.db2.gz OKRPWULWSFNZEC-INIZCTEOSA-N 2 2 386.483 3.654 20 0 GHADLP COc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc(OC)c1OCC(F)F ZINC000516171417 852241021 /nfs/dbraw/zinc/24/10/21/852241021.db2.gz OKRPWULWSFNZEC-INIZCTEOSA-N 2 2 386.483 3.654 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000489367759 852256472 /nfs/dbraw/zinc/25/64/72/852256472.db2.gz WMQAEUFLNUJVKK-ZVDOUQERSA-N 2 2 386.584 3.703 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000489367759 852256481 /nfs/dbraw/zinc/25/64/81/852256481.db2.gz WMQAEUFLNUJVKK-ZVDOUQERSA-N 2 2 386.584 3.703 20 0 GHADLP Cn1c[nH+]cc1CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000517698685 852286471 /nfs/dbraw/zinc/28/64/71/852286471.db2.gz FEXSGPLCEKSQIJ-HSZRJFAPSA-N 2 2 394.563 3.646 20 0 GHADLP Cc1cc(C(=O)[C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C)n1Cc1ccco1 ZINC000438455699 852421216 /nfs/dbraw/zinc/42/12/16/852421216.db2.gz OEKRMIPJMKYYPO-QGZVFWFLSA-N 2 2 380.492 3.920 20 0 GHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000604655175 862373237 /nfs/dbraw/zinc/37/32/37/862373237.db2.gz HQOOAFNFLZJRED-GOSISDBHSA-N 2 2 391.519 3.801 20 0 GHADLP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC[N@@H+]1C ZINC000425676836 852596546 /nfs/dbraw/zinc/59/65/46/852596546.db2.gz UAMMFSYPCIOZSQ-IAGOWNOFSA-N 2 2 381.524 3.833 20 0 GHADLP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC[N@H+]1C ZINC000425676836 852596552 /nfs/dbraw/zinc/59/65/52/852596552.db2.gz UAMMFSYPCIOZSQ-IAGOWNOFSA-N 2 2 381.524 3.833 20 0 GHADLP O[C@H](C[NH+]1CC[C@@H](c2cccc(F)c2)C1)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000489845107 852604707 /nfs/dbraw/zinc/60/47/07/852604707.db2.gz MFCMDIYYCZYJPI-JHDGKUDLSA-N 2 2 386.486 3.605 20 0 GHADLP O[C@H](C[NH+]1CC[C@@H](c2cccc(F)c2)C1)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000489845107 852604712 /nfs/dbraw/zinc/60/47/12/852604712.db2.gz MFCMDIYYCZYJPI-JHDGKUDLSA-N 2 2 386.486 3.605 20 0 GHADLP O[C@@H](C[NH+]1CC[C@H](c2cccc(F)c2)C1)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000489845107 852604717 /nfs/dbraw/zinc/60/47/17/852604717.db2.gz MFCMDIYYCZYJPI-JHDGKUDLSA-N 2 2 386.486 3.605 20 0 GHADLP O[C@@H](C[NH+]1CC[C@H](c2cccc(F)c2)C1)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000489845107 852604724 /nfs/dbraw/zinc/60/47/24/852604724.db2.gz MFCMDIYYCZYJPI-JHDGKUDLSA-N 2 2 386.486 3.605 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc(Cl)ccc1Cl ZINC000507248491 852706228 /nfs/dbraw/zinc/70/62/28/852706228.db2.gz VVCAOPUNYHYASU-WWTUQBGBSA-N 2 2 384.351 3.728 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc(Cl)ccc1Cl ZINC000507248491 852706231 /nfs/dbraw/zinc/70/62/31/852706231.db2.gz VVCAOPUNYHYASU-WWTUQBGBSA-N 2 2 384.351 3.728 20 0 GHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)c1ccco1 ZINC000509573766 852980228 /nfs/dbraw/zinc/98/02/28/852980228.db2.gz YLQVGWILQOEISS-DOTOQJQBSA-N 2 2 388.512 3.571 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)N3CCc4ccccc43)C2)s1 ZINC000516996990 853243361 /nfs/dbraw/zinc/24/33/61/853243361.db2.gz ZKPWXRUDAMJBKV-MOPGFXCFSA-N 2 2 397.588 3.788 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)N3CCc4ccccc43)C2)s1 ZINC000516996990 853243370 /nfs/dbraw/zinc/24/33/70/853243370.db2.gz ZKPWXRUDAMJBKV-MOPGFXCFSA-N 2 2 397.588 3.788 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)N3CCc4ccccc43)C2)s1 ZINC000516996990 853243379 /nfs/dbraw/zinc/24/33/79/853243379.db2.gz ZKPWXRUDAMJBKV-MOPGFXCFSA-N 2 2 397.588 3.788 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)N3CCc4ccccc43)C2)s1 ZINC000516996990 853243385 /nfs/dbraw/zinc/24/33/85/853243385.db2.gz ZKPWXRUDAMJBKV-MOPGFXCFSA-N 2 2 397.588 3.788 20 0 GHADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C3CCCCC3)C3CCCCC3)C2)C1 ZINC000518573278 853521181 /nfs/dbraw/zinc/52/11/81/853521181.db2.gz LIMGOFOOYRXXNF-QHCPKHFHSA-N 2 2 375.601 3.898 20 0 GHADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C3CCCCC3)C3CCCCC3)C2)C1 ZINC000518573278 853521184 /nfs/dbraw/zinc/52/11/84/853521184.db2.gz LIMGOFOOYRXXNF-QHCPKHFHSA-N 2 2 375.601 3.898 20 0 GHADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)C2)C1 ZINC000518573278 853521193 /nfs/dbraw/zinc/52/11/93/853521193.db2.gz LIMGOFOOYRXXNF-QHCPKHFHSA-N 2 2 375.601 3.898 20 0 GHADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)C2)C1 ZINC000518573278 853521199 /nfs/dbraw/zinc/52/11/99/853521199.db2.gz LIMGOFOOYRXXNF-QHCPKHFHSA-N 2 2 375.601 3.898 20 0 GHADLP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000556045074 862483530 /nfs/dbraw/zinc/48/35/30/862483530.db2.gz RUUISRFRNWYUQP-RLLQIKCJSA-N 2 2 395.547 3.590 20 0 GHADLP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000556045074 862483538 /nfs/dbraw/zinc/48/35/38/862483538.db2.gz RUUISRFRNWYUQP-RLLQIKCJSA-N 2 2 395.547 3.590 20 0 GHADLP Cc1ccc2cc([C@@H](C)[NH2+]CCC(=O)N3CCN(c4cccc[nH+]4)CC3)oc2c1 ZINC000425930503 853659360 /nfs/dbraw/zinc/65/93/60/853659360.db2.gz IMAUMVWQHIHIHH-GOSISDBHSA-N 2 2 392.503 3.526 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c(C)c1 ZINC000440873217 853718293 /nfs/dbraw/zinc/71/82/93/853718293.db2.gz IKDLTTFITSRGFX-QUCCMNQESA-N 2 2 385.556 3.517 20 0 GHADLP CSc1ccc(OCC[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000441186274 853990706 /nfs/dbraw/zinc/99/07/06/853990706.db2.gz WJAFLEVIZSUWEX-UHFFFAOYSA-N 2 2 386.565 3.831 20 0 GHADLP COCC[N@H+](C)CC[C@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1 ZINC000520341054 854098665 /nfs/dbraw/zinc/09/86/65/854098665.db2.gz LQDVTADRIWMXCI-FQEVSTJZSA-N 2 2 383.540 3.588 20 0 GHADLP COCC[N@@H+](C)CC[C@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1 ZINC000520341054 854098670 /nfs/dbraw/zinc/09/86/70/854098670.db2.gz LQDVTADRIWMXCI-FQEVSTJZSA-N 2 2 383.540 3.588 20 0 GHADLP COCC[N@H+](C)CC[C@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1 ZINC000520341054 854098672 /nfs/dbraw/zinc/09/86/72/854098672.db2.gz LQDVTADRIWMXCI-FQEVSTJZSA-N 2 2 383.540 3.588 20 0 GHADLP COCC[N@@H+](C)CC[C@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1 ZINC000520341054 854098676 /nfs/dbraw/zinc/09/86/76/854098676.db2.gz LQDVTADRIWMXCI-FQEVSTJZSA-N 2 2 383.540 3.588 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NCc2ccccc2C)c(C)c1 ZINC000441368597 854151102 /nfs/dbraw/zinc/15/11/02/854151102.db2.gz BPNDWMLSSADWEV-NFBKMPQASA-N 2 2 390.531 3.844 20 0 GHADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc(Br)ccc3F)CC2)C[C@H](C)O1 ZINC000588709425 854368787 /nfs/dbraw/zinc/36/87/87/854368787.db2.gz BJGAYXNFDBNMDL-GASCZTMLSA-N 2 2 399.348 3.909 20 0 GHADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(Br)ccc3F)CC2)C[C@H](C)O1 ZINC000588709425 854368794 /nfs/dbraw/zinc/36/87/94/854368794.db2.gz BJGAYXNFDBNMDL-GASCZTMLSA-N 2 2 399.348 3.909 20 0 GHADLP FC(F)(F)c1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)nc1 ZINC001167994216 854436918 /nfs/dbraw/zinc/43/69/18/854436918.db2.gz ZGRIPKIXRZWLQV-DFNIBXOVSA-N 2 2 394.485 3.628 20 0 GHADLP FC(F)(F)c1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)nc1 ZINC001167994216 854436920 /nfs/dbraw/zinc/43/69/20/854436920.db2.gz ZGRIPKIXRZWLQV-DFNIBXOVSA-N 2 2 394.485 3.628 20 0 GHADLP Cc1cccc(-c2noc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)c1 ZINC000328665793 854495648 /nfs/dbraw/zinc/49/56/48/854495648.db2.gz ZNAFGSJDTTUSMW-GOSISDBHSA-N 2 2 377.492 3.957 20 0 GHADLP Cc1cccc(-c2noc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)c1 ZINC000328665793 854495655 /nfs/dbraw/zinc/49/56/55/854495655.db2.gz ZNAFGSJDTTUSMW-GOSISDBHSA-N 2 2 377.492 3.957 20 0 GHADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc2cc(OC)ccc2c1 ZINC000482008189 862602891 /nfs/dbraw/zinc/60/28/91/862602891.db2.gz MAYKOFUMKQLUDA-GOTSBHOMSA-N 2 2 397.563 3.832 20 0 GHADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc2cc(OC)ccc2c1 ZINC000482008189 862602894 /nfs/dbraw/zinc/60/28/94/862602894.db2.gz MAYKOFUMKQLUDA-GOTSBHOMSA-N 2 2 397.563 3.832 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000765797389 854853215 /nfs/dbraw/zinc/85/32/15/854853215.db2.gz ODSDIHVQNOJWMH-LXBDKUERSA-N 2 2 384.495 3.919 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000765797389 854853219 /nfs/dbraw/zinc/85/32/19/854853219.db2.gz ODSDIHVQNOJWMH-LXBDKUERSA-N 2 2 384.495 3.919 20 0 GHADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000623655816 855072721 /nfs/dbraw/zinc/07/27/21/855072721.db2.gz GCYMOHOLHZBDRW-CQSZACIVSA-N 2 2 377.330 3.661 20 0 GHADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000623655816 855072727 /nfs/dbraw/zinc/07/27/27/855072727.db2.gz GCYMOHOLHZBDRW-CQSZACIVSA-N 2 2 377.330 3.661 20 0 GHADLP O=C([C@@H](c1ccccc1)[NH+]1CCC(Nc2cccc[nH+]2)CC1)N1CCCCC1 ZINC000536370119 855136610 /nfs/dbraw/zinc/13/66/10/855136610.db2.gz LTBLKDRPTRDEPM-JOCHJYFZSA-N 2 2 378.520 3.712 20 0 GHADLP COc1cccc([C@@H]2[C@H](NC(=O)c3sccc3C[NH+](C)C)CC[N@@H+]2C2CC2)c1 ZINC000482051494 862645075 /nfs/dbraw/zinc/64/50/75/862645075.db2.gz RJSYHOVGKZJKHI-WOJBJXKFSA-N 2 2 399.560 3.526 20 0 GHADLP COc1cccc([C@@H]2[C@H](NC(=O)c3sccc3C[NH+](C)C)CC[N@H+]2C2CC2)c1 ZINC000482051494 862645083 /nfs/dbraw/zinc/64/50/83/862645083.db2.gz RJSYHOVGKZJKHI-WOJBJXKFSA-N 2 2 399.560 3.526 20 0 GHADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000590611515 855508744 /nfs/dbraw/zinc/50/87/44/855508744.db2.gz MWXNARPAUGLCBO-QFIPXVFZSA-N 2 2 377.532 3.890 20 0 GHADLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000590611515 855508748 /nfs/dbraw/zinc/50/87/48/855508748.db2.gz MWXNARPAUGLCBO-QFIPXVFZSA-N 2 2 377.532 3.890 20 0 GHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+]([C@H]3CCCN(Cc4ccccc4)C3=O)C2)CC1 ZINC000760818357 855852807 /nfs/dbraw/zinc/85/28/07/855852807.db2.gz CCLYDTYEHXKTDF-PKTZIBPZSA-N 2 2 383.580 3.622 20 0 GHADLP CC1CC[NH+](C[C@H]2CCC[N@H+]([C@H]3CCCN(Cc4ccccc4)C3=O)C2)CC1 ZINC000760818357 855852815 /nfs/dbraw/zinc/85/28/15/855852815.db2.gz CCLYDTYEHXKTDF-PKTZIBPZSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)CC[N@@H+]1C ZINC000280949051 862771605 /nfs/dbraw/zinc/77/16/05/862771605.db2.gz JMWWKCPXCOWYBJ-HCKVZZMMSA-N 2 2 395.263 3.574 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)CC[N@H+]1C ZINC000280949051 862771621 /nfs/dbraw/zinc/77/16/21/862771621.db2.gz JMWWKCPXCOWYBJ-HCKVZZMMSA-N 2 2 395.263 3.574 20 0 GHADLP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674397254 856251287 /nfs/dbraw/zinc/25/12/87/856251287.db2.gz DHEPJIQXIHTSRB-NRFANRHFSA-N 2 2 381.524 3.526 20 0 GHADLP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674397254 856251295 /nfs/dbraw/zinc/25/12/95/856251295.db2.gz DHEPJIQXIHTSRB-NRFANRHFSA-N 2 2 381.524 3.526 20 0 GHADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(Br)cc3F)CC2)C[C@H](C)O1 ZINC000060368474 856281834 /nfs/dbraw/zinc/28/18/34/856281834.db2.gz DKTVNZAJNLHWNB-GASCZTMLSA-N 2 2 399.348 3.909 20 0 GHADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(Br)cc3F)CC2)C[C@H](C)O1 ZINC000060368474 856281843 /nfs/dbraw/zinc/28/18/43/856281843.db2.gz DKTVNZAJNLHWNB-GASCZTMLSA-N 2 2 399.348 3.909 20 0 GHADLP CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)c(C)c2)CC1 ZINC000172034885 856324171 /nfs/dbraw/zinc/32/41/71/856324171.db2.gz ODYGUFJVKJCGDA-UHFFFAOYSA-N 2 2 389.503 3.575 20 0 GHADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000760933746 856664104 /nfs/dbraw/zinc/66/41/04/856664104.db2.gz OOMABVLMKGRGGO-LJQANCHMSA-N 2 2 380.374 3.614 20 0 GHADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000112372678 857127473 /nfs/dbraw/zinc/12/74/73/857127473.db2.gz GYEBMGZOUXRXLK-CQSZACIVSA-N 2 2 377.330 3.661 20 0 GHADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000112372678 857127477 /nfs/dbraw/zinc/12/74/77/857127477.db2.gz GYEBMGZOUXRXLK-CQSZACIVSA-N 2 2 377.330 3.661 20 0 GHADLP C[C@@H]1CCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000675273226 857130420 /nfs/dbraw/zinc/13/04/20/857130420.db2.gz KWXSOTRAHYOMES-CEMLEFRQSA-N 2 2 395.551 3.703 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000112681671 857183316 /nfs/dbraw/zinc/18/33/16/857183316.db2.gz YOTBNFJGAZTAAG-UHFFFAOYSA-N 2 2 396.535 3.969 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000112681671 857183321 /nfs/dbraw/zinc/18/33/21/857183321.db2.gz YOTBNFJGAZTAAG-UHFFFAOYSA-N 2 2 396.535 3.969 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188906 862909216 /nfs/dbraw/zinc/90/92/16/862909216.db2.gz LNUWFEXOICEMIT-JXFKEZNVSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188906 862909224 /nfs/dbraw/zinc/90/92/24/862909224.db2.gz LNUWFEXOICEMIT-JXFKEZNVSA-N 2 2 377.960 3.684 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000593293364 857456453 /nfs/dbraw/zinc/45/64/53/857456453.db2.gz UIDDFDAEHIDERP-GMAHTHKFSA-N 2 2 380.536 3.958 20 0 GHADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000593293364 857456459 /nfs/dbraw/zinc/45/64/59/857456459.db2.gz UIDDFDAEHIDERP-GMAHTHKFSA-N 2 2 380.536 3.958 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060642590 857469434 /nfs/dbraw/zinc/46/94/34/857469434.db2.gz COXOHEVMCGOMRO-UHFFFAOYSA-N 2 2 376.504 3.702 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060642590 857469441 /nfs/dbraw/zinc/46/94/41/857469441.db2.gz COXOHEVMCGOMRO-UHFFFAOYSA-N 2 2 376.504 3.702 20 0 GHADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000442226846 857619193 /nfs/dbraw/zinc/61/91/93/857619193.db2.gz BPDKGXUYUHSDDO-IFMALSPDSA-N 2 2 397.567 3.615 20 0 GHADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000442226846 857619196 /nfs/dbraw/zinc/61/91/96/857619196.db2.gz BPDKGXUYUHSDDO-IFMALSPDSA-N 2 2 397.567 3.615 20 0 GHADLP c1ccc(N2CC[NH+](CCC[NH2+]Cc3ccccc3OCC3CC3)CC2)cc1 ZINC000063510873 857625425 /nfs/dbraw/zinc/62/54/25/857625425.db2.gz BOKBCORXAKGBCE-UHFFFAOYSA-N 2 2 379.548 3.777 20 0 GHADLP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000442241736 857645907 /nfs/dbraw/zinc/64/59/07/857645907.db2.gz LLNCJJLWZIVNKA-QFIPXVFZSA-N 2 2 397.567 3.757 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCO2 ZINC000675880529 857658537 /nfs/dbraw/zinc/65/85/37/857658537.db2.gz FSIVWNOASCZXLX-SJLPKXTDSA-N 2 2 395.341 3.506 20 0 GHADLP Cc1ccc(-c2noc(CCC[N@H+]3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)n2)cc1F ZINC000499600560 857686726 /nfs/dbraw/zinc/68/67/26/857686726.db2.gz OUEWETAOQLBEPW-AZUAARDMSA-N 2 2 380.467 3.543 20 0 GHADLP Cc1ccc(-c2noc(CCC[N@@H+]3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)n2)cc1F ZINC000499600560 857686733 /nfs/dbraw/zinc/68/67/33/857686733.db2.gz OUEWETAOQLBEPW-AZUAARDMSA-N 2 2 380.467 3.543 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000521206292 857732020 /nfs/dbraw/zinc/73/20/20/857732020.db2.gz XKEGASPEGIQKTE-CTNGQTDRSA-N 2 2 389.609 3.547 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000521206292 857732025 /nfs/dbraw/zinc/73/20/25/857732025.db2.gz XKEGASPEGIQKTE-CTNGQTDRSA-N 2 2 389.609 3.547 20 0 GHADLP Cc1cn2c(CNc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)c(C)nc2s1 ZINC000676201956 857783212 /nfs/dbraw/zinc/78/32/12/857783212.db2.gz SPPMSCPTXAKYMI-UHFFFAOYSA-N 2 2 384.553 3.550 20 0 GHADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1Br ZINC000676479415 857910586 /nfs/dbraw/zinc/91/05/86/857910586.db2.gz SVRJFVDHSTXTOA-ZBFHGGJFSA-N 2 2 391.313 3.618 20 0 GHADLP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1Br ZINC000676479415 857910589 /nfs/dbraw/zinc/91/05/89/857910589.db2.gz SVRJFVDHSTXTOA-ZBFHGGJFSA-N 2 2 391.313 3.618 20 0 GHADLP C[C@@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)[NH+]1CCC(C)CC1 ZINC000521465644 858021925 /nfs/dbraw/zinc/02/19/25/858021925.db2.gz XEKULQXBFCANTB-IRXDYDNUSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)[NH+]1CCC(C)CC1 ZINC000521465644 858021932 /nfs/dbraw/zinc/02/19/32/858021932.db2.gz XEKULQXBFCANTB-IRXDYDNUSA-N 2 2 393.601 3.617 20 0 GHADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000594921421 858305297 /nfs/dbraw/zinc/30/52/97/858305297.db2.gz DHDUTGMHQPPIKX-JJEOQYAHSA-N 2 2 389.499 3.886 20 0 GHADLP Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000521876249 858408491 /nfs/dbraw/zinc/40/84/91/858408491.db2.gz SVGYKAACYQRGIW-SXLOBPIMSA-N 2 2 379.504 3.785 20 0 GHADLP Cc1ccc(Oc2ccccc2NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000521876249 858408495 /nfs/dbraw/zinc/40/84/95/858408495.db2.gz SVGYKAACYQRGIW-SXLOBPIMSA-N 2 2 379.504 3.785 20 0 GHADLP Cc1ccccc1CN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000466147231 858473996 /nfs/dbraw/zinc/47/39/96/858473996.db2.gz QGRBVFMUHOGABO-UHFFFAOYSA-N 2 2 398.595 3.619 20 0 GHADLP CCC[C@@]1(C)CCCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000466156794 858518244 /nfs/dbraw/zinc/51/82/44/858518244.db2.gz GYUIYPYUIDDBOE-NRFANRHFSA-N 2 2 378.605 3.549 20 0 GHADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000575097836 858585444 /nfs/dbraw/zinc/58/54/44/858585444.db2.gz PPXKWAMECLTOSJ-NNWRFLSQSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000575097836 858585449 /nfs/dbraw/zinc/58/54/49/858585449.db2.gz PPXKWAMECLTOSJ-NNWRFLSQSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000575097836 858585453 /nfs/dbraw/zinc/58/54/53/858585453.db2.gz PPXKWAMECLTOSJ-NNWRFLSQSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000575097836 858585456 /nfs/dbraw/zinc/58/54/56/858585456.db2.gz PPXKWAMECLTOSJ-NNWRFLSQSA-N 2 2 377.532 3.776 20 0 GHADLP CC[C@H](OC1CCCC1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183670906 858791850 /nfs/dbraw/zinc/79/18/50/858791850.db2.gz MLIGIOUGGYPANS-BDTNDASRSA-N 2 2 393.616 3.520 20 0 GHADLP CC[C@H](OC1CCCC1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183670906 858791859 /nfs/dbraw/zinc/79/18/59/858791859.db2.gz MLIGIOUGGYPANS-BDTNDASRSA-N 2 2 393.616 3.520 20 0 GHADLP Cc1cc(NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)nc(C2CC2)[nH+]1 ZINC000116260845 858916343 /nfs/dbraw/zinc/91/63/43/858916343.db2.gz VTTKIZFIOOMJCP-UHFFFAOYSA-N 2 2 396.535 3.764 20 0 GHADLP Cc1cc(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)nc(C2CC2)[nH+]1 ZINC000116260845 858916354 /nfs/dbraw/zinc/91/63/54/858916354.db2.gz VTTKIZFIOOMJCP-UHFFFAOYSA-N 2 2 396.535 3.764 20 0 GHADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000185523833 859091741 /nfs/dbraw/zinc/09/17/41/859091741.db2.gz FPUQZKAIOHTCDZ-QGZVFWFLSA-N 2 2 384.499 3.798 20 0 GHADLP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000543266757 859092160 /nfs/dbraw/zinc/09/21/60/859092160.db2.gz XGGUIPHOYHDCSV-IBGZPJMESA-N 2 2 384.568 3.580 20 0 GHADLP C[N@H+](CCN1CC[NH+](C/C=C/c2ccc(F)cc2F)CC1)Cc1ccccc1 ZINC000543629615 859107348 /nfs/dbraw/zinc/10/73/48/859107348.db2.gz HYHVDQIFVGWQHJ-VMPITWQZSA-N 2 2 385.502 3.728 20 0 GHADLP C[N@@H+](CCN1CC[NH+](C/C=C/c2ccc(F)cc2F)CC1)Cc1ccccc1 ZINC000543629615 859107350 /nfs/dbraw/zinc/10/73/50/859107350.db2.gz HYHVDQIFVGWQHJ-VMPITWQZSA-N 2 2 385.502 3.728 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000483121297 859149229 /nfs/dbraw/zinc/14/92/29/859149229.db2.gz ARQDJTBDGSYKQJ-HYBUGGRVSA-N 2 2 379.548 3.838 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000483121297 859149231 /nfs/dbraw/zinc/14/92/31/859149231.db2.gz ARQDJTBDGSYKQJ-HYBUGGRVSA-N 2 2 379.548 3.838 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)C[NH+]2CCCCCC2)c(C)c1 ZINC000483206028 859205069 /nfs/dbraw/zinc/20/50/69/859205069.db2.gz ZZZOOIAGZYJHIO-IRLDBZIGSA-N 2 2 397.567 3.805 20 0 GHADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000429416846 859313564 /nfs/dbraw/zinc/31/35/64/859313564.db2.gz LZWVYHISKQNCLX-DNVCBOLYSA-N 2 2 399.000 3.876 20 0 GHADLP COC(=O)c1sc2cccc(F)c2c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483480883 859403221 /nfs/dbraw/zinc/40/32/21/859403221.db2.gz XLELPPWIMNQDNT-XJKSGUPXSA-N 2 2 376.497 3.743 20 0 GHADLP COC(=O)c1sc2cccc(F)c2c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483480883 859403223 /nfs/dbraw/zinc/40/32/23/859403223.db2.gz XLELPPWIMNQDNT-XJKSGUPXSA-N 2 2 376.497 3.743 20 0 GHADLP COC(=O)c1sc2cccc(F)c2c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000483480883 859403226 /nfs/dbraw/zinc/40/32/26/859403226.db2.gz XLELPPWIMNQDNT-XJKSGUPXSA-N 2 2 376.497 3.743 20 0 GHADLP COC(=O)c1sc2cccc(F)c2c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000483480883 859403228 /nfs/dbraw/zinc/40/32/28/859403228.db2.gz XLELPPWIMNQDNT-XJKSGUPXSA-N 2 2 376.497 3.743 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N(C3CCCCC3)C3CCCCC3)CC[C@H]21 ZINC000483482346 859404384 /nfs/dbraw/zinc/40/43/84/859404384.db2.gz AWFOHGYKNUEXRQ-DENIHFKCSA-N 2 2 375.601 3.897 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N(C3CCCCC3)C3CCCCC3)CC[C@H]21 ZINC000483482346 859404386 /nfs/dbraw/zinc/40/43/86/859404386.db2.gz AWFOHGYKNUEXRQ-DENIHFKCSA-N 2 2 375.601 3.897 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)CC[C@H]21 ZINC000483482346 859404388 /nfs/dbraw/zinc/40/43/88/859404388.db2.gz AWFOHGYKNUEXRQ-DENIHFKCSA-N 2 2 375.601 3.897 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)CC[C@H]21 ZINC000483482346 859404391 /nfs/dbraw/zinc/40/43/91/859404391.db2.gz AWFOHGYKNUEXRQ-DENIHFKCSA-N 2 2 375.601 3.897 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC000654501650 859419799 /nfs/dbraw/zinc/41/97/99/859419799.db2.gz FGVJFXIGDKEMRT-FKBYEOEOSA-N 2 2 395.551 3.557 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(C)c1 ZINC000654501650 859419805 /nfs/dbraw/zinc/41/98/05/859419805.db2.gz FGVJFXIGDKEMRT-FKBYEOEOSA-N 2 2 395.551 3.557 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC1 ZINC000114197079 859492204 /nfs/dbraw/zinc/49/22/04/859492204.db2.gz MEMYBUJVCAFODV-UHFFFAOYSA-N 2 2 382.508 3.613 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC1 ZINC000114197079 859492208 /nfs/dbraw/zinc/49/22/08/859492208.db2.gz MEMYBUJVCAFODV-UHFFFAOYSA-N 2 2 382.508 3.613 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000543415106 859628483 /nfs/dbraw/zinc/62/84/83/859628483.db2.gz WUQOTVHLWFVPRR-HNNXBMFYSA-N 2 2 376.489 3.945 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000484126036 859815851 /nfs/dbraw/zinc/81/58/51/859815851.db2.gz CWZXAJIHNXFKOU-YYWHXJBOSA-N 2 2 386.536 3.835 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000484126036 859815859 /nfs/dbraw/zinc/81/58/59/859815859.db2.gz CWZXAJIHNXFKOU-YYWHXJBOSA-N 2 2 386.536 3.835 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)CCCC1)c1ccccc1 ZINC000484126933 859817895 /nfs/dbraw/zinc/81/78/95/859817895.db2.gz FLBMCOCBISCOCC-RBUKOAKNSA-N 2 2 390.535 3.977 20 0 GHADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CCCO2 ZINC000484128282 859818295 /nfs/dbraw/zinc/81/82/95/859818295.db2.gz JOHUGQMUSUCWAU-VWNXMTODSA-N 2 2 380.532 3.744 20 0 GHADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CCCO2 ZINC000484128282 859818304 /nfs/dbraw/zinc/81/83/04/859818304.db2.gz JOHUGQMUSUCWAU-VWNXMTODSA-N 2 2 380.532 3.744 20 0 GHADLP Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)n1C1CCCCC1 ZINC000602199787 859861186 /nfs/dbraw/zinc/86/11/86/859861186.db2.gz ACZIPPHGSWGFNS-LJQANCHMSA-N 2 2 386.584 3.508 20 0 GHADLP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)n1C1CCCCC1 ZINC000602199787 859861195 /nfs/dbraw/zinc/86/11/95/859861195.db2.gz ACZIPPHGSWGFNS-LJQANCHMSA-N 2 2 386.584 3.508 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765253979 859867615 /nfs/dbraw/zinc/86/76/15/859867615.db2.gz WDNWJJDDLGMKIG-RDTXWAMCSA-N 2 2 392.931 3.967 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000765254205 859872335 /nfs/dbraw/zinc/87/23/35/859872335.db2.gz XPJWZXVHEKQLKI-GJZGRUSLSA-N 2 2 387.446 3.766 20 0 GHADLP Cc1nc2scc(CC(C)C)c2c(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000602614094 860153059 /nfs/dbraw/zinc/15/30/59/860153059.db2.gz TUNLQGDKKRELBA-KRWDZBQOSA-N 2 2 387.597 3.779 20 0 GHADLP Cc1nc2scc(CC(C)C)c2c(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000602614094 860153069 /nfs/dbraw/zinc/15/30/69/860153069.db2.gz TUNLQGDKKRELBA-KRWDZBQOSA-N 2 2 387.597 3.779 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3nc4ccc(F)cc4s3)c2)CCO1 ZINC000428877523 860159667 /nfs/dbraw/zinc/15/96/67/860159667.db2.gz BDNIPJDOLNJWMB-OAHLLOKOSA-N 2 2 385.508 3.946 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3nc4ccc(F)cc4s3)c2)CCO1 ZINC000428877523 860159675 /nfs/dbraw/zinc/15/96/75/860159675.db2.gz BDNIPJDOLNJWMB-OAHLLOKOSA-N 2 2 385.508 3.946 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@H]2Cc4cccc(Cl)c4C2)CC3)cn1 ZINC001168729092 860273072 /nfs/dbraw/zinc/27/30/72/860273072.db2.gz VJLQAHVSOZXAOY-IBGZPJMESA-N 2 2 384.955 3.671 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@H]2Cc4cccc(Cl)c4C2)CC3)cn1 ZINC001168729092 860273080 /nfs/dbraw/zinc/27/30/80/860273080.db2.gz VJLQAHVSOZXAOY-IBGZPJMESA-N 2 2 384.955 3.671 20 0 GHADLP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000191837377 860373771 /nfs/dbraw/zinc/37/37/71/860373771.db2.gz QVGNRQCNBXCAAX-RTBURBONSA-N 2 2 385.577 3.964 20 0 GHADLP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000191837377 860373777 /nfs/dbraw/zinc/37/37/77/860373777.db2.gz QVGNRQCNBXCAAX-RTBURBONSA-N 2 2 385.577 3.964 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(-n2ccnc2)c1 ZINC000509008516 860523513 /nfs/dbraw/zinc/52/35/13/860523513.db2.gz ZDDMVHJGLNNSKT-OAQYLSRUSA-N 2 2 389.547 3.735 20 0 GHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000474626174 860533064 /nfs/dbraw/zinc/53/30/64/860533064.db2.gz CWPATKBVMXBRQK-MOPGFXCFSA-N 2 2 398.547 3.818 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000904639742 860540537 /nfs/dbraw/zinc/54/05/37/860540537.db2.gz LMOKONOXKHYFET-QZTJIDSGSA-N 2 2 376.863 3.505 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000904639742 860540541 /nfs/dbraw/zinc/54/05/41/860540541.db2.gz LMOKONOXKHYFET-QZTJIDSGSA-N 2 2 376.863 3.505 20 0 GHADLP O[C@H](C[NH2+][C@@H](c1cccnc1)C1CCCCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000603556494 860808675 /nfs/dbraw/zinc/80/86/75/860808675.db2.gz LOUBROBMLRGVEI-DNQXCXABSA-N 2 2 379.548 3.712 20 0 GHADLP O[C@H](C[NH2+][C@@H](c1cccnc1)C1CCCCC1)C[N@H+]1CCc2ccccc2C1 ZINC000603556494 860808678 /nfs/dbraw/zinc/80/86/78/860808678.db2.gz LOUBROBMLRGVEI-DNQXCXABSA-N 2 2 379.548 3.712 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000444022953 863185987 /nfs/dbraw/zinc/18/59/87/863185987.db2.gz OZLGWSLWZDDSLU-MOPGFXCFSA-N 2 2 380.621 3.649 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000444022953 863185994 /nfs/dbraw/zinc/18/59/94/863185994.db2.gz OZLGWSLWZDDSLU-MOPGFXCFSA-N 2 2 380.621 3.649 20 0 GHADLP Cc1nc2ccc(C[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)cc2s1 ZINC000494374051 881647134 /nfs/dbraw/zinc/64/71/34/881647134.db2.gz HPGNFNSMNVLMDQ-UHFFFAOYSA-N 2 2 397.544 3.606 20 0 GHADLP CCC(CC)(C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O)[NH2+][C@@H](C)c1ccccc1 ZINC000183002254 863441466 /nfs/dbraw/zinc/44/14/66/863441466.db2.gz OSJYYHGYOQEDOJ-SXLOBPIMSA-N 2 2 380.598 3.841 20 0 GHADLP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494404787 881678639 /nfs/dbraw/zinc/67/86/39/881678639.db2.gz LDVMJERLQAWCHO-SWLSCSKDSA-N 2 2 393.331 3.860 20 0 GHADLP F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494404788 881679028 /nfs/dbraw/zinc/67/90/28/881679028.db2.gz LDVMJERLQAWCHO-WFASDCNBSA-N 2 2 393.331 3.860 20 0 GHADLP Cc1cn2cc(NC(=O)N3CCC[N@H+](CCCc4ccccc4)CC3)ccc2[nH+]1 ZINC000606568964 863712068 /nfs/dbraw/zinc/71/20/68/863712068.db2.gz NDFYFIJTIZGXTA-UHFFFAOYSA-N 2 2 391.519 3.815 20 0 GHADLP Cc1cn2cc(NC(=O)N3CCC[N@@H+](CCCc4ccccc4)CC3)ccc2[nH+]1 ZINC000606568964 863712074 /nfs/dbraw/zinc/71/20/74/863712074.db2.gz NDFYFIJTIZGXTA-UHFFFAOYSA-N 2 2 391.519 3.815 20 0 GHADLP Cc1cn2cc(NC(=O)NCC3CC[NH+](Cc4ccccc4)CC3)ccc2[nH+]1 ZINC000606569968 863713052 /nfs/dbraw/zinc/71/30/52/863713052.db2.gz KDJGOOMAHULBCN-UHFFFAOYSA-N 2 2 377.492 3.676 20 0 GHADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(-c2ccccc2)o1 ZINC000158529206 863862219 /nfs/dbraw/zinc/86/22/19/863862219.db2.gz VOVLCVXDVXKZIC-GOSISDBHSA-N 2 2 376.504 3.944 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158588979 863881825 /nfs/dbraw/zinc/88/18/25/863881825.db2.gz ZRXTVSDLIXZWHR-JPYJTQIMSA-N 2 2 394.494 3.736 20 0 GHADLP Cc1cccc(C2(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CCCC2)c1 ZINC000103312142 863954004 /nfs/dbraw/zinc/95/40/04/863954004.db2.gz BSPZYOWKHXVXID-UHFFFAOYSA-N 2 2 398.595 3.622 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000606947949 863984064 /nfs/dbraw/zinc/98/40/64/863984064.db2.gz WLIJUBSNILRIOE-LJQANCHMSA-N 2 2 399.539 3.738 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000606947949 863984072 /nfs/dbraw/zinc/98/40/72/863984072.db2.gz WLIJUBSNILRIOE-LJQANCHMSA-N 2 2 399.539 3.738 20 0 GHADLP C[N@H+](CCCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CCCCC1 ZINC000159207657 864066444 /nfs/dbraw/zinc/06/64/44/864066444.db2.gz RTMRBPHJTIDHGZ-UHFFFAOYSA-N 2 2 399.539 3.738 20 0 GHADLP C[N@@H+](CCCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CCCCC1 ZINC000159207657 864066456 /nfs/dbraw/zinc/06/64/56/864066456.db2.gz RTMRBPHJTIDHGZ-UHFFFAOYSA-N 2 2 399.539 3.738 20 0 GHADLP CCCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccc(C)o1 ZINC000621317656 864103939 /nfs/dbraw/zinc/10/39/39/864103939.db2.gz RIPMIMFEXRVUEV-FQEVSTJZSA-N 2 2 398.551 3.885 20 0 GHADLP CCCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccc(C)o1 ZINC000621317656 864103950 /nfs/dbraw/zinc/10/39/50/864103950.db2.gz RIPMIMFEXRVUEV-FQEVSTJZSA-N 2 2 398.551 3.885 20 0 GHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000607281848 864237961 /nfs/dbraw/zinc/23/79/61/864237961.db2.gz QCKKMDLOMWOTPJ-FGZHOGPDSA-N 2 2 395.547 3.978 20 0 GHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000607281848 864237972 /nfs/dbraw/zinc/23/79/72/864237972.db2.gz QCKKMDLOMWOTPJ-FGZHOGPDSA-N 2 2 395.547 3.978 20 0 GHADLP CCOc1c(Br)cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000475133828 864268724 /nfs/dbraw/zinc/26/87/24/864268724.db2.gz XOXIUPZHQDFGGZ-UHFFFAOYSA-N 2 2 397.357 3.917 20 0 GHADLP CCOc1c(Br)cc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000475133828 864268737 /nfs/dbraw/zinc/26/87/37/864268737.db2.gz XOXIUPZHQDFGGZ-UHFFFAOYSA-N 2 2 397.357 3.917 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccc(Cl)cc1Cl ZINC000429538934 881755518 /nfs/dbraw/zinc/75/55/18/881755518.db2.gz JXWDHGXIBOVLEM-DZKIICNBSA-N 2 2 386.367 3.975 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccc(Cl)cc1Cl ZINC000429538934 881755535 /nfs/dbraw/zinc/75/55/35/881755535.db2.gz JXWDHGXIBOVLEM-DZKIICNBSA-N 2 2 386.367 3.975 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[NH+]1CCc2ccccc2C1 ZINC000480275632 864385584 /nfs/dbraw/zinc/38/55/84/864385584.db2.gz DTBWKAWLQKGMMN-PXDATVDWSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[NH+]1CCc2ccccc2C1 ZINC000480275632 864385604 /nfs/dbraw/zinc/38/56/04/864385604.db2.gz DTBWKAWLQKGMMN-PXDATVDWSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000480275632 864385626 /nfs/dbraw/zinc/38/56/26/864385626.db2.gz DTBWKAWLQKGMMN-PXDATVDWSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000480275632 864385644 /nfs/dbraw/zinc/38/56/44/864385644.db2.gz DTBWKAWLQKGMMN-PXDATVDWSA-N 3 2 377.576 3.935 20 0 GHADLP CCSc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000159247997 864442220 /nfs/dbraw/zinc/44/22/20/864442220.db2.gz CVFCFWAEHFYBCG-GOSISDBHSA-N 2 2 398.576 3.583 20 0 GHADLP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000166215461 864724406 /nfs/dbraw/zinc/72/44/06/864724406.db2.gz GVUGNHAPRMKMJI-VWNXMTODSA-N 2 2 380.532 3.776 20 0 GHADLP CCOc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1OC ZINC000475344135 864821662 /nfs/dbraw/zinc/82/16/62/864821662.db2.gz BXXFXUOTOGMHSE-UHFFFAOYSA-N 2 2 386.458 3.989 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cn(-c3ccc(Cl)c(Cl)c3)nn1)CCC2 ZINC000554749852 864854041 /nfs/dbraw/zinc/85/40/41/864854041.db2.gz YJWFPZSCPSEQJQ-ZDUSSCGKSA-N 2 2 391.306 3.746 20 0 GHADLP C[C@@H]1CN(c2ccc(N[C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)c[nH+]2)C[C@@H](C)O1 ZINC000550784797 881810564 /nfs/dbraw/zinc/81/05/64/881810564.db2.gz XXSXMZLKVNTSRD-DBQGFPOUSA-N 2 2 380.536 3.943 20 0 GHADLP C[C@@H]1CN(c2ccc(N[C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)c[nH+]2)C[C@@H](C)O1 ZINC000550784797 881810583 /nfs/dbraw/zinc/81/05/83/881810583.db2.gz XXSXMZLKVNTSRD-DBQGFPOUSA-N 2 2 380.536 3.943 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc(=O)oc2cc(O)ccc12 ZINC000184748361 864908557 /nfs/dbraw/zinc/90/85/57/864908557.db2.gz LYCQXRRDYJNCAF-IRXDYDNUSA-N 2 2 392.499 3.745 20 0 GHADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480607217 864967730 /nfs/dbraw/zinc/96/77/30/864967730.db2.gz DYQDIUHYGUTOEP-GOSISDBHSA-N 2 2 391.515 3.980 20 0 GHADLP Cc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1F ZINC000554841896 865001200 /nfs/dbraw/zinc/00/12/00/865001200.db2.gz ONVJWZHYCSOFAM-OAQYLSRUSA-N 2 2 383.511 3.963 20 0 GHADLP Cc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1F ZINC000554841896 865001216 /nfs/dbraw/zinc/00/12/16/865001216.db2.gz ONVJWZHYCSOFAM-OAQYLSRUSA-N 2 2 383.511 3.963 20 0 GHADLP COc1ccc2c(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cc(=O)oc2c1 ZINC000735871491 865015611 /nfs/dbraw/zinc/01/56/11/865015611.db2.gz POOLYDYFINMIRW-GOSISDBHSA-N 2 2 384.520 3.890 20 0 GHADLP COc1ccc2c(C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cc(=O)oc2c1 ZINC000735871491 865015629 /nfs/dbraw/zinc/01/56/29/865015629.db2.gz POOLYDYFINMIRW-GOSISDBHSA-N 2 2 384.520 3.890 20 0 GHADLP Cn1cc[nH+]c1C[C@@H](NC(=O)NCCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000608393749 865307634 /nfs/dbraw/zinc/30/76/34/865307634.db2.gz HAFJLROTQMDUSQ-OAQYLSRUSA-N 2 2 397.567 3.658 20 0 GHADLP Cn1cc[nH+]c1C[C@@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000608393749 865307652 /nfs/dbraw/zinc/30/76/52/865307652.db2.gz HAFJLROTQMDUSQ-OAQYLSRUSA-N 2 2 397.567 3.658 20 0 GHADLP Cn1cc[nH+]c1C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)c1ccccc1 ZINC000608394052 865307720 /nfs/dbraw/zinc/30/77/20/865307720.db2.gz DNSBFKQUBMIXAW-HXUWFJFHSA-N 2 2 397.567 3.658 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000172081694 865483300 /nfs/dbraw/zinc/48/33/00/865483300.db2.gz DQKGZXVHOVIODH-CVDCTZTESA-N 2 2 379.548 3.838 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000172081694 865483302 /nfs/dbraw/zinc/48/33/02/865483302.db2.gz DQKGZXVHOVIODH-CVDCTZTESA-N 2 2 379.548 3.838 20 0 GHADLP Cc1cc(C)cc(-n2ccn(C[NH+]3CCC(OCC[NH+](C)C)CC3)c2=S)c1 ZINC000738210391 865503523 /nfs/dbraw/zinc/50/35/23/865503523.db2.gz QZJKOZIFFSYVSK-UHFFFAOYSA-N 2 2 388.581 3.625 20 0 GHADLP CCC[C@H](C)[C@H]1CCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000494559679 881907602 /nfs/dbraw/zinc/90/76/02/881907602.db2.gz WKFTXSOWOXCRHN-VQTJNVASSA-N 2 2 378.605 3.547 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000481169482 865912285 /nfs/dbraw/zinc/91/22/85/865912285.db2.gz CDYSYQRJPMMGDY-GKAYAJSDSA-N 2 2 397.538 3.892 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000481169482 865912291 /nfs/dbraw/zinc/91/22/91/865912291.db2.gz CDYSYQRJPMMGDY-GKAYAJSDSA-N 2 2 397.538 3.892 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481196475 865985308 /nfs/dbraw/zinc/98/53/08/865985308.db2.gz ZIBYDGOURZEORM-AWRGLXIESA-N 2 2 393.575 3.924 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481196475 865985310 /nfs/dbraw/zinc/98/53/10/865985310.db2.gz ZIBYDGOURZEORM-AWRGLXIESA-N 2 2 393.575 3.924 20 0 GHADLP C[N@H+](CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000478545065 866229450 /nfs/dbraw/zinc/22/94/50/866229450.db2.gz VXMQZXHEZRUSKJ-HXUWFJFHSA-N 2 2 375.532 3.561 20 0 GHADLP C[N@@H+](CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000478545065 866229468 /nfs/dbraw/zinc/22/94/68/866229468.db2.gz VXMQZXHEZRUSKJ-HXUWFJFHSA-N 2 2 375.532 3.561 20 0 GHADLP CC[C@H](Cc1ccccc1)[N@H+](CC)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001168072885 866342345 /nfs/dbraw/zinc/34/23/45/866342345.db2.gz AUBSSBJYHJEWFT-JOCHJYFZSA-N 2 2 399.604 3.736 20 0 GHADLP CC[C@H](Cc1ccccc1)[N@@H+](CC)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001168072885 866342362 /nfs/dbraw/zinc/34/23/62/866342362.db2.gz AUBSSBJYHJEWFT-JOCHJYFZSA-N 2 2 399.604 3.736 20 0 GHADLP C[C@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000456318815 866428538 /nfs/dbraw/zinc/42/85/38/866428538.db2.gz BMWUWVIVBKYKLP-HXUWFJFHSA-N 2 2 388.515 3.526 20 0 GHADLP COc1ccc([C@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)cc1C[NH+]1CCCCC1 ZINC000183255518 866486471 /nfs/dbraw/zinc/48/64/71/866486471.db2.gz XRSBIJTWBDVQNZ-KRWDZBQOSA-N 2 2 396.597 3.545 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000534315513 866547942 /nfs/dbraw/zinc/54/79/42/866547942.db2.gz KJWFNMTVSWVRNP-SFGWALBWSA-N 2 2 394.544 3.733 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000534315513 866547948 /nfs/dbraw/zinc/54/79/48/866547948.db2.gz KJWFNMTVSWVRNP-SFGWALBWSA-N 2 2 394.544 3.733 20 0 GHADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCC2 ZINC000534351331 866600829 /nfs/dbraw/zinc/60/08/29/866600829.db2.gz ZIMXBVIKIKIHAI-XMMPIXPASA-N 2 2 380.532 3.873 20 0 GHADLP CC(C)CCSCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359531 866645582 /nfs/dbraw/zinc/64/55/82/866645582.db2.gz KBXCAIUWMIKDAE-WOJBJXKFSA-N 2 2 383.646 3.561 20 0 GHADLP CC(C)CCSCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359531 866645587 /nfs/dbraw/zinc/64/55/87/866645587.db2.gz KBXCAIUWMIKDAE-WOJBJXKFSA-N 2 2 383.646 3.561 20 0 GHADLP Cc1cn2cc(NC(=O)NC3CC[NH+]([C@H](C)c4ccccc4)CC3)ccc2[nH+]1 ZINC000523421591 867292683 /nfs/dbraw/zinc/29/26/83/867292683.db2.gz IKNMPQVNVWRQHR-QGZVFWFLSA-N 2 2 377.492 3.990 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000154402012 867392299 /nfs/dbraw/zinc/39/22/99/867392299.db2.gz LBAKVVHEVVOSFZ-UHFFFAOYSA-N 2 2 389.341 3.822 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000154402012 867392314 /nfs/dbraw/zinc/39/23/14/867392314.db2.gz LBAKVVHEVVOSFZ-UHFFFAOYSA-N 2 2 389.341 3.822 20 0 GHADLP CCCC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(=O)Nc1cc(C)on1 ZINC000523853485 868102953 /nfs/dbraw/zinc/10/29/53/868102953.db2.gz OXFQBAZLDRCECV-GHTZIAJQSA-N 2 2 398.551 3.717 20 0 GHADLP CCC(=O)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097674 868160931 /nfs/dbraw/zinc/16/09/31/868160931.db2.gz WNUIVLVGMZPAEW-YADHBBJMSA-N 2 2 399.579 3.689 20 0 GHADLP CCC(=O)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097674 868160951 /nfs/dbraw/zinc/16/09/51/868160951.db2.gz WNUIVLVGMZPAEW-YADHBBJMSA-N 2 2 399.579 3.689 20 0 GHADLP C[C@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@@H+]1CCCC[C@H]1C ZINC000535328425 868558199 /nfs/dbraw/zinc/55/81/99/868558199.db2.gz XMXLCUVRKCIBMJ-QZTJIDSGSA-N 2 2 393.535 3.986 20 0 GHADLP C[C@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@H+]1CCCC[C@H]1C ZINC000535328425 868558206 /nfs/dbraw/zinc/55/82/06/868558206.db2.gz XMXLCUVRKCIBMJ-QZTJIDSGSA-N 2 2 393.535 3.986 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)C1CC1 ZINC000479881302 868649406 /nfs/dbraw/zinc/64/94/06/868649406.db2.gz HNYCFWNDEVXVPV-QFIPXVFZSA-N 2 2 385.596 3.914 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)C1CC1 ZINC000479881302 868649412 /nfs/dbraw/zinc/64/94/12/868649412.db2.gz HNYCFWNDEVXVPV-QFIPXVFZSA-N 2 2 385.596 3.914 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccn(Cc4ccccc4)n3)CC2)cc1 ZINC000793568843 882277234 /nfs/dbraw/zinc/27/72/34/882277234.db2.gz OXHLHIXHNLOGHQ-UHFFFAOYSA-N 2 2 389.547 3.756 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001170434938 882292173 /nfs/dbraw/zinc/29/21/73/882292173.db2.gz BJMYXWHQNJCQAH-GOSISDBHSA-N 2 2 398.551 3.634 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001170434938 882292177 /nfs/dbraw/zinc/29/21/77/882292177.db2.gz BJMYXWHQNJCQAH-GOSISDBHSA-N 2 2 398.551 3.634 20 0 GHADLP Cc1[nH]nc2ncc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc12 ZINC000539833217 869872702 /nfs/dbraw/zinc/87/27/02/869872702.db2.gz PTJVCXADIJDJNN-QHCPKHFHSA-N 2 2 375.520 3.754 20 0 GHADLP Cc1[nH]nc2ncc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc12 ZINC000539833217 869872708 /nfs/dbraw/zinc/87/27/08/869872708.db2.gz PTJVCXADIJDJNN-QHCPKHFHSA-N 2 2 375.520 3.754 20 0 GHADLP Cc1[nH]nc2ncc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)cc12 ZINC000539833217 869872720 /nfs/dbraw/zinc/87/27/20/869872720.db2.gz PTJVCXADIJDJNN-QHCPKHFHSA-N 2 2 375.520 3.754 20 0 GHADLP Cc1[nH]nc2ncc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)cc12 ZINC000539833217 869872733 /nfs/dbraw/zinc/87/27/33/869872733.db2.gz PTJVCXADIJDJNN-QHCPKHFHSA-N 2 2 375.520 3.754 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2OCc2ccccn2)C[C@@H]1C ZINC000539837011 869879676 /nfs/dbraw/zinc/87/96/76/869879676.db2.gz UDQJQVXAJDFKDH-RXVVDRJESA-N 2 2 383.536 3.974 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2OCc2ccccn2)C[C@@H]1C ZINC000539837011 869879693 /nfs/dbraw/zinc/87/96/93/869879693.db2.gz UDQJQVXAJDFKDH-RXVVDRJESA-N 2 2 383.536 3.974 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)ccc2OCc2ccccn2)C[C@@H]1C ZINC000539837011 869879700 /nfs/dbraw/zinc/87/97/00/869879700.db2.gz UDQJQVXAJDFKDH-RXVVDRJESA-N 2 2 383.536 3.974 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)ccc2OCc2ccccn2)C[C@@H]1C ZINC000539837011 869879713 /nfs/dbraw/zinc/87/97/13/869879713.db2.gz UDQJQVXAJDFKDH-RXVVDRJESA-N 2 2 383.536 3.974 20 0 GHADLP Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)CC2)[nH+]c1 ZINC000248406039 870378968 /nfs/dbraw/zinc/37/89/68/870378968.db2.gz BOAPDGVLFDVEQB-QPTUXGOLSA-N 3 2 390.575 3.859 20 0 GHADLP Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CC2)[nH+]c1 ZINC000248406039 870379010 /nfs/dbraw/zinc/37/90/10/870379010.db2.gz BOAPDGVLFDVEQB-QPTUXGOLSA-N 3 2 390.575 3.859 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@H](c3ccsc3)C2)CC1 ZINC000538750869 870566631 /nfs/dbraw/zinc/56/66/31/870566631.db2.gz CXITYWWXJUKXSX-QFIPXVFZSA-N 2 2 385.577 3.854 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@H](c3ccsc3)C2)CC1 ZINC000538750869 870566648 /nfs/dbraw/zinc/56/66/48/870566648.db2.gz CXITYWWXJUKXSX-QFIPXVFZSA-N 2 2 385.577 3.854 20 0 GHADLP CC[N@@H+](Cc1cc(-c2cccnc2)n[nH]1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538762074 870602969 /nfs/dbraw/zinc/60/29/69/870602969.db2.gz WEAOUADONVYSSE-FQEVSTJZSA-N 2 2 375.520 3.816 20 0 GHADLP CC[N@H+](Cc1cc(-c2cccnc2)n[nH]1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538762074 870602980 /nfs/dbraw/zinc/60/29/80/870602980.db2.gz WEAOUADONVYSSE-FQEVSTJZSA-N 2 2 375.520 3.816 20 0 GHADLP CC[NH+](Cc1cc(-c2cccnc2)n[nH]1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538762074 870602986 /nfs/dbraw/zinc/60/29/86/870602986.db2.gz WEAOUADONVYSSE-FQEVSTJZSA-N 2 2 375.520 3.816 20 0 GHADLP CC[NH+](Cc1cc(-c2cccnc2)n[nH]1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538762074 870602999 /nfs/dbraw/zinc/60/29/99/870602999.db2.gz WEAOUADONVYSSE-FQEVSTJZSA-N 2 2 375.520 3.816 20 0 GHADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cc1S(C)(=O)=O ZINC000446892212 870656458 /nfs/dbraw/zinc/65/64/58/870656458.db2.gz IYGRRQIRMYVHMI-OXJNMPFZSA-N 2 2 378.582 3.531 20 0 GHADLP C[C@H]1CC[N@H+](Cc2nc3ccc(Br)cc3o2)C[C@H]1n1cc[nH+]c1 ZINC000463112971 870912886 /nfs/dbraw/zinc/91/28/86/870912886.db2.gz ATYANPSNWHDOHZ-SWLSCSKDSA-N 2 2 375.270 3.870 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3o2)C[C@H]1n1cc[nH+]c1 ZINC000463112971 870912893 /nfs/dbraw/zinc/91/28/93/870912893.db2.gz ATYANPSNWHDOHZ-SWLSCSKDSA-N 2 2 375.270 3.870 20 0 GHADLP Cc1c[nH+]ccc1OC1CCN(Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000447086595 870971877 /nfs/dbraw/zinc/97/18/77/870971877.db2.gz AWSFTWPHISICLI-UHFFFAOYSA-N 2 2 386.565 3.656 20 0 GHADLP Cc1c[nH+]ccc1OC1CCN(Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000447086595 870971885 /nfs/dbraw/zinc/97/18/85/870971885.db2.gz AWSFTWPHISICLI-UHFFFAOYSA-N 2 2 386.565 3.656 20 0 GHADLP COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000463137630 870990473 /nfs/dbraw/zinc/99/04/73/870990473.db2.gz LMWQLVJUXVMPKB-NWSQWKLXSA-N 2 2 381.564 3.941 20 0 GHADLP CC[NH+](CC)CCCC1CC[NH+](Cn2nc3nc(C)cc(C)n3c2=S)CC1 ZINC000181456015 871039740 /nfs/dbraw/zinc/03/97/40/871039740.db2.gz BEYRGNGUNVKUTK-UHFFFAOYSA-N 2 2 390.601 3.669 20 0 GHADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(-c2ccc(F)cc2)c2c(n1)CCCCCC2 ZINC001169067050 871151905 /nfs/dbraw/zinc/15/19/05/871151905.db2.gz MNDTUJPESQYSRT-GOSISDBHSA-N 2 2 394.494 3.595 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000463201658 871174168 /nfs/dbraw/zinc/17/41/68/871174168.db2.gz WLTKJUYWWYTYCW-TZRRMPRUSA-N 2 2 385.596 3.604 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000463201658 871174171 /nfs/dbraw/zinc/17/41/71/871174171.db2.gz WLTKJUYWWYTYCW-TZRRMPRUSA-N 2 2 385.596 3.604 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000463242271 871246786 /nfs/dbraw/zinc/24/67/86/871246786.db2.gz GBJKXQJBJNVPTF-YSZBQJHXSA-N 2 2 395.522 3.569 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000463242271 871246808 /nfs/dbraw/zinc/24/68/08/871246808.db2.gz GBJKXQJBJNVPTF-YSZBQJHXSA-N 2 2 395.522 3.569 20 0 GHADLP O=C1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CN1c1ccccc1Cl ZINC000539076149 871267955 /nfs/dbraw/zinc/26/79/55/871267955.db2.gz DUEGRDXPLBGSJV-IBGZPJMESA-N 2 2 383.923 3.700 20 0 GHADLP FC(F)COc1cnccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463249327 871268239 /nfs/dbraw/zinc/26/82/39/871268239.db2.gz TWQDFVDGNJQPOI-UHFFFAOYSA-N 2 2 375.463 3.522 20 0 GHADLP C[C@H]1C[C@H]([NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463260314 871278384 /nfs/dbraw/zinc/27/83/84/871278384.db2.gz CEPIBEWWYCPMAJ-ZLGUVYLKSA-N 2 2 385.939 3.899 20 0 GHADLP C[C@H]1C[C@H]([NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000463260314 871278402 /nfs/dbraw/zinc/27/84/02/871278402.db2.gz CEPIBEWWYCPMAJ-ZLGUVYLKSA-N 2 2 385.939 3.899 20 0 GHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3csc(C(C)(C)C)n3)CC2)C[C@@H](C)O1 ZINC000539145635 871372049 /nfs/dbraw/zinc/37/20/49/871372049.db2.gz KYNOXMGONGQVLR-IAGOWNOFSA-N 2 2 395.613 3.531 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000618174265 871380850 /nfs/dbraw/zinc/38/08/50/871380850.db2.gz SZSRZPKSJGNSBH-RTBURBONSA-N 2 2 388.943 3.548 20 0 GHADLP CCC[N@@H+](Cc1cc(C)c(C)cc1I)C[C@@H]1CC[NH2+]C1 ZINC001236842586 871482131 /nfs/dbraw/zinc/48/21/31/871482131.db2.gz FSOHYUOOOLQWIA-OAHLLOKOSA-N 2 2 386.321 3.730 20 0 GHADLP CCC[N@H+](Cc1cc(C)c(C)cc1I)C[C@@H]1CC[NH2+]C1 ZINC001236842586 871482133 /nfs/dbraw/zinc/48/21/33/871482133.db2.gz FSOHYUOOOLQWIA-OAHLLOKOSA-N 2 2 386.321 3.730 20 0 GHADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cc(Cl)nc(Cl)c1 ZINC001194250728 871586120 /nfs/dbraw/zinc/58/61/20/871586120.db2.gz JGBKAQSIFGOXFO-UHFFFAOYSA-N 2 2 393.362 3.638 20 0 GHADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cc(Cl)nc(Cl)c1 ZINC001194250728 871586139 /nfs/dbraw/zinc/58/61/39/871586139.db2.gz JGBKAQSIFGOXFO-UHFFFAOYSA-N 2 2 393.362 3.638 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](CCc2cccc3c2OC(F)(F)O3)CC1 ZINC001169782541 871871996 /nfs/dbraw/zinc/87/19/96/871871996.db2.gz ZNTMDEAJISQWFT-UHFFFAOYSA-N 2 2 376.403 3.797 20 0 GHADLP C[C@H]([NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000447608158 871980191 /nfs/dbraw/zinc/98/01/91/871980191.db2.gz UQXLMEVYAGNQKE-HOCLYGCPSA-N 2 2 389.421 3.791 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(N3CCOCC3)c2)C[N@H+](Cc2ccccc2)C1 ZINC000552085183 871986983 /nfs/dbraw/zinc/98/69/83/871986983.db2.gz SUVQUXWPYCNVRE-REWPJTCUSA-N 2 2 379.548 3.523 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(N3CCOCC3)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000552085183 871986995 /nfs/dbraw/zinc/98/69/95/871986995.db2.gz SUVQUXWPYCNVRE-REWPJTCUSA-N 2 2 379.548 3.523 20 0 GHADLP Cc1ccc(N2CCC(C(=O)N[C@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)CC2)[nH+]c1 ZINC000619029082 872245718 /nfs/dbraw/zinc/24/57/18/872245718.db2.gz ITFQOJDCXXGJKP-UGKGYDQZSA-N 2 2 392.547 3.558 20 0 GHADLP Cc1ccc(N2CCC(C(=O)N[C@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)CC2)[nH+]c1 ZINC000619029082 872245731 /nfs/dbraw/zinc/24/57/31/872245731.db2.gz ITFQOJDCXXGJKP-UGKGYDQZSA-N 2 2 392.547 3.558 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000093659951 872325846 /nfs/dbraw/zinc/32/58/46/872325846.db2.gz SVZPVWZDODCKOV-NRFANRHFSA-N 2 2 383.536 3.975 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000093659951 872325860 /nfs/dbraw/zinc/32/58/60/872325860.db2.gz SVZPVWZDODCKOV-NRFANRHFSA-N 2 2 383.536 3.975 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000093659951 872325869 /nfs/dbraw/zinc/32/58/69/872325869.db2.gz SVZPVWZDODCKOV-NRFANRHFSA-N 2 2 383.536 3.975 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000093659951 872325875 /nfs/dbraw/zinc/32/58/75/872325875.db2.gz SVZPVWZDODCKOV-NRFANRHFSA-N 2 2 383.536 3.975 20 0 GHADLP CC[N@@H+](CC(=O)Nc1cc(C)ccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108596 882616660 /nfs/dbraw/zinc/61/66/60/882616660.db2.gz NMSLVPKDBJWVIP-UHFFFAOYSA-N 2 2 380.536 3.875 20 0 GHADLP CC[N@H+](CC(=O)Nc1cc(C)ccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108596 882616664 /nfs/dbraw/zinc/61/66/64/882616664.db2.gz NMSLVPKDBJWVIP-UHFFFAOYSA-N 2 2 380.536 3.875 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000767433509 872517827 /nfs/dbraw/zinc/51/78/27/872517827.db2.gz JGGRDVWWUIIRHE-WOIUINJBSA-N 2 2 395.551 3.784 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000767433509 872517839 /nfs/dbraw/zinc/51/78/39/872517839.db2.gz JGGRDVWWUIIRHE-WOIUINJBSA-N 2 2 395.551 3.784 20 0 GHADLP C[C@H](CCc1n[nH]c2ccccc21)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000541153177 873034704 /nfs/dbraw/zinc/03/47/04/873034704.db2.gz GBQGJJGVPVQSNZ-QGZVFWFLSA-N 2 2 392.551 3.922 20 0 GHADLP Cc1ccc(F)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1F ZINC000541250789 873240791 /nfs/dbraw/zinc/24/07/91/873240791.db2.gz CWUVNYJMUSKPCF-RBUKOAKNSA-N 2 2 393.522 3.682 20 0 GHADLP Cc1ccc(F)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1F ZINC000541250789 873240800 /nfs/dbraw/zinc/24/08/00/873240800.db2.gz CWUVNYJMUSKPCF-RBUKOAKNSA-N 2 2 393.522 3.682 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3ncc4cccc(OCc5ccccc5)c43)CC[C@@H]21 ZINC000768495298 873353665 /nfs/dbraw/zinc/35/36/65/873353665.db2.gz PFIPGZMDTZXYSG-YADHBBJMSA-N 2 2 390.531 3.989 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ncc4cccc(OCc5ccccc5)c43)CC[C@@H]21 ZINC000768495298 873353680 /nfs/dbraw/zinc/35/36/80/873353680.db2.gz PFIPGZMDTZXYSG-YADHBBJMSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ncc4cccc(OCc5ccccc5)c43)CC[C@@H]21 ZINC000768495298 873353689 /nfs/dbraw/zinc/35/36/89/873353689.db2.gz PFIPGZMDTZXYSG-YADHBBJMSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ncc4cccc(OCc5ccccc5)c43)CC[C@@H]21 ZINC000768495298 873353704 /nfs/dbraw/zinc/35/37/04/873353704.db2.gz PFIPGZMDTZXYSG-YADHBBJMSA-N 2 2 390.531 3.989 20 0 GHADLP COCC[NH+]1CCC([NH2+]Cc2cc(Cl)c(OC(C)C)cc2Cl)CC1 ZINC000527646669 873399275 /nfs/dbraw/zinc/39/92/75/873399275.db2.gz YOECKOSEHZYJMW-UHFFFAOYSA-N 2 2 375.340 3.981 20 0 GHADLP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)COc1ccc(Oc3ccccc3)cc1)CC2 ZINC000541336868 873420505 /nfs/dbraw/zinc/42/05/05/873420505.db2.gz LJUKQKWQXSPYDW-FQEVSTJZSA-N 2 2 396.531 3.779 20 0 GHADLP C[N@H+]1CCCC12CC[NH+](C[C@H](O)COc1ccc(Oc3ccccc3)cc1)CC2 ZINC000541336868 873420508 /nfs/dbraw/zinc/42/05/08/873420508.db2.gz LJUKQKWQXSPYDW-FQEVSTJZSA-N 2 2 396.531 3.779 20 0 GHADLP O=C(CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC001197263988 873682598 /nfs/dbraw/zinc/68/25/98/873682598.db2.gz IKLIGUMGUCFDJT-PKTZIBPZSA-N 2 2 388.515 3.798 20 0 GHADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)[nH+]c1C ZINC001197844615 874068293 /nfs/dbraw/zinc/06/82/93/874068293.db2.gz KPPSJEGICRWGLO-UHFFFAOYSA-N 2 2 380.414 3.863 20 0 GHADLP CC(C)[C@H](CC1CCCC1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460486454 882792736 /nfs/dbraw/zinc/79/27/36/882792736.db2.gz CVAYMOMZIAGIKC-NRFANRHFSA-N 2 2 377.617 3.905 20 0 GHADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OC(F)F)cc1 ZINC000550896212 882796597 /nfs/dbraw/zinc/79/65/97/882796597.db2.gz YDQNIUPTFKUCMI-CTNGQTDRSA-N 2 2 390.474 3.748 20 0 GHADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OC(F)F)cc1 ZINC000550896212 882796602 /nfs/dbraw/zinc/79/66/02/882796602.db2.gz YDQNIUPTFKUCMI-CTNGQTDRSA-N 2 2 390.474 3.748 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000528315138 874364631 /nfs/dbraw/zinc/36/46/31/874364631.db2.gz GBRORAMEIORJPW-FGZHOGPDSA-N 2 2 394.563 3.910 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000528315138 874364647 /nfs/dbraw/zinc/36/46/47/874364647.db2.gz GBRORAMEIORJPW-FGZHOGPDSA-N 2 2 394.563 3.910 20 0 GHADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449023106 874391353 /nfs/dbraw/zinc/39/13/53/874391353.db2.gz NKVIQBPVRXAKMV-KRWDZBQOSA-N 2 2 388.556 3.551 20 0 GHADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449023106 874391369 /nfs/dbraw/zinc/39/13/69/874391369.db2.gz NKVIQBPVRXAKMV-KRWDZBQOSA-N 2 2 388.556 3.551 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528391759 874506613 /nfs/dbraw/zinc/50/66/13/874506613.db2.gz FGWTVMPWRKBOFB-NRFANRHFSA-N 2 2 384.568 3.554 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528391759 874506619 /nfs/dbraw/zinc/50/66/19/874506619.db2.gz FGWTVMPWRKBOFB-NRFANRHFSA-N 2 2 384.568 3.554 20 0 GHADLP CC[N@@H+](CC(=O)N(C)CC1CCCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464803189 874512574 /nfs/dbraw/zinc/51/25/74/874512574.db2.gz VXVUDRWYXIIQTJ-UHFFFAOYSA-N 2 2 386.584 3.659 20 0 GHADLP CC[N@H+](CC(=O)N(C)CC1CCCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464803189 874512585 /nfs/dbraw/zinc/51/25/85/874512585.db2.gz VXVUDRWYXIIQTJ-UHFFFAOYSA-N 2 2 386.584 3.659 20 0 GHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464854283 874643591 /nfs/dbraw/zinc/64/35/91/874643591.db2.gz SGXHAGGWZLQSBS-REWPJTCUSA-N 2 2 383.580 3.836 20 0 GHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464854283 874643604 /nfs/dbraw/zinc/64/36/04/874643604.db2.gz SGXHAGGWZLQSBS-REWPJTCUSA-N 2 2 383.580 3.836 20 0 GHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464854283 874643611 /nfs/dbraw/zinc/64/36/11/874643611.db2.gz SGXHAGGWZLQSBS-REWPJTCUSA-N 2 2 383.580 3.836 20 0 GHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464854283 874643621 /nfs/dbraw/zinc/64/36/21/874643621.db2.gz SGXHAGGWZLQSBS-REWPJTCUSA-N 2 2 383.580 3.836 20 0 GHADLP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc2[nH+]ccn21 ZINC000770419161 874659698 /nfs/dbraw/zinc/65/96/98/874659698.db2.gz OBKKHNXEEJDRBH-UHFFFAOYSA-N 2 2 390.409 3.557 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc2cc(F)ccc2o1 ZINC000464879957 874674960 /nfs/dbraw/zinc/67/49/60/874674960.db2.gz RKADBUFAYVIAQM-UHFFFAOYSA-N 3 2 388.531 3.595 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc2cc(F)ccc2o1 ZINC000464879957 874674972 /nfs/dbraw/zinc/67/49/72/874674972.db2.gz RKADBUFAYVIAQM-UHFFFAOYSA-N 3 2 388.531 3.595 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cccc4[nH]ccc43)CC2)cc1 ZINC000449519954 874987841 /nfs/dbraw/zinc/98/78/41/874987841.db2.gz COPFSBDTBUEPQB-UHFFFAOYSA-N 2 2 376.504 3.881 20 0 GHADLP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C12CCC2 ZINC000449519660 874989835 /nfs/dbraw/zinc/98/98/35/874989835.db2.gz CEGCBOVYCDLODX-YADHBBJMSA-N 2 2 385.552 3.547 20 0 GHADLP CCOc1ccccc1C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449520628 874990992 /nfs/dbraw/zinc/99/09/92/874990992.db2.gz GNZIIOVXBIWGRY-UHFFFAOYSA-N 2 2 381.520 3.798 20 0 GHADLP COc1ccccc1/C=C\C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449523131 874997792 /nfs/dbraw/zinc/99/77/92/874997792.db2.gz KXGFUBKJYWFPEL-ALCCZGGFSA-N 2 2 393.531 3.921 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542133224 875032431 /nfs/dbraw/zinc/03/24/31/875032431.db2.gz QALZARSYYVRGSK-SFHVURJKSA-N 2 2 384.524 3.720 20 0 GHADLP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000460488567 882891177 /nfs/dbraw/zinc/89/11/77/882891177.db2.gz MVCIPHKHWDNCRU-KRWDZBQOSA-N 2 2 377.960 3.510 20 0 GHADLP Brc1ccc(OCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000542248878 875246310 /nfs/dbraw/zinc/24/63/10/875246310.db2.gz YXIMUFNXTHGGMS-UHFFFAOYSA-N 2 2 378.295 3.865 20 0 GHADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000529006206 875401162 /nfs/dbraw/zinc/40/11/62/875401162.db2.gz AWHJATIFFWUUPB-IEBWSBKVSA-N 2 2 392.906 3.714 20 0 GHADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000529006206 875401171 /nfs/dbraw/zinc/40/11/71/875401171.db2.gz AWHJATIFFWUUPB-IEBWSBKVSA-N 2 2 392.906 3.714 20 0 GHADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000237662784 882931083 /nfs/dbraw/zinc/93/10/83/882931083.db2.gz PSNPPOROADWBGN-LSDHHAIUSA-N 2 2 382.346 3.630 20 0 GHADLP FC(F)(F)c1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc(C(F)(F)F)c1 ZINC000771945040 875565311 /nfs/dbraw/zinc/56/53/11/875565311.db2.gz FKFIIJSKTVAALU-LSDHHAIUSA-N 2 2 382.348 3.677 20 0 GHADLP FC(F)(F)c1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc(C(F)(F)F)c1 ZINC000771945040 875565322 /nfs/dbraw/zinc/56/53/22/875565322.db2.gz FKFIIJSKTVAALU-LSDHHAIUSA-N 2 2 382.348 3.677 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)OCCn1cc[nH+]c1C)c1cccc(C(F)(F)F)c1 ZINC000771977899 875589362 /nfs/dbraw/zinc/58/93/62/875589362.db2.gz NGTRWVFPPULUNO-QGZVFWFLSA-N 2 2 383.414 3.837 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccsc1 ZINC000669937560 875891699 /nfs/dbraw/zinc/89/16/99/875891699.db2.gz LEEJZHQJSOSXCU-CQSZACIVSA-N 2 2 378.567 3.726 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CCCNC(=O)/C=C/c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001202118795 876008460 /nfs/dbraw/zinc/00/84/60/876008460.db2.gz JBZVNYUVIMUNEQ-WOOPDLCSSA-N 2 2 391.559 3.849 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CCCNC(=O)/C=C/c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001202118795 876008472 /nfs/dbraw/zinc/00/84/72/876008472.db2.gz JBZVNYUVIMUNEQ-WOOPDLCSSA-N 2 2 391.559 3.849 20 0 GHADLP CCc1ccc2[nH+]ccc(N3CCC[C@@H]([N@H+](C)Cc4noc(C)n4)CC3)c2c1 ZINC000450470682 876480388 /nfs/dbraw/zinc/48/03/88/876480388.db2.gz UQOPHCNCKICJSV-GOSISDBHSA-N 2 2 379.508 3.980 20 0 GHADLP CCc1ccc2[nH+]ccc(N3CCC[C@@H]([N@@H+](C)Cc4noc(C)n4)CC3)c2c1 ZINC000450470682 876480400 /nfs/dbraw/zinc/48/04/00/876480400.db2.gz UQOPHCNCKICJSV-GOSISDBHSA-N 2 2 379.508 3.980 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)C[C@H]1c1ccccc1 ZINC000551006774 883037245 /nfs/dbraw/zinc/03/72/45/883037245.db2.gz YXYBHUIBKGMMHR-ACIOBRDBSA-N 2 2 393.531 3.729 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)C[C@H]1c1ccccc1 ZINC000551006774 883037265 /nfs/dbraw/zinc/03/72/65/883037265.db2.gz YXYBHUIBKGMMHR-ACIOBRDBSA-N 2 2 393.531 3.729 20 0 GHADLP Cc1c(Cl)cccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000174266209 876935497 /nfs/dbraw/zinc/93/54/97/876935497.db2.gz BFJPKRWQAMULRY-UHFFFAOYSA-N 2 2 378.948 3.720 20 0 GHADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H](C)CC(C)(C)CC(=O)OC ZINC000850451639 876936213 /nfs/dbraw/zinc/93/62/13/876936213.db2.gz DVXJIYWMSSZXJC-QGZVFWFLSA-N 2 2 391.556 3.617 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)ccc1Cl ZINC000850516226 876987235 /nfs/dbraw/zinc/98/72/35/876987235.db2.gz SYKKIPZVHPNDJX-QGZVFWFLSA-N 2 2 399.922 3.808 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)ccc1Cl ZINC000850516226 876987244 /nfs/dbraw/zinc/98/72/44/876987244.db2.gz SYKKIPZVHPNDJX-QGZVFWFLSA-N 2 2 399.922 3.808 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000850531920 877003513 /nfs/dbraw/zinc/00/35/13/877003513.db2.gz OBADJMVKERCUNA-SQNIBIBYSA-N 2 2 391.462 3.661 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134921671 883111946 /nfs/dbraw/zinc/11/19/46/883111946.db2.gz FMVSQBIQNHXDNS-RBPRZQKGSA-N 2 2 389.971 3.854 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134921671 883111954 /nfs/dbraw/zinc/11/19/54/883111954.db2.gz FMVSQBIQNHXDNS-RBPRZQKGSA-N 2 2 389.971 3.854 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134921671 883111962 /nfs/dbraw/zinc/11/19/62/883111962.db2.gz FMVSQBIQNHXDNS-RBPRZQKGSA-N 2 2 389.971 3.854 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134921671 883111964 /nfs/dbraw/zinc/11/19/64/883111964.db2.gz FMVSQBIQNHXDNS-RBPRZQKGSA-N 2 2 389.971 3.854 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000787256172 877270968 /nfs/dbraw/zinc/27/09/68/877270968.db2.gz ZCCRFNDAZSTLGH-AWEZNQCLSA-N 2 2 379.854 3.687 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000787256172 877270973 /nfs/dbraw/zinc/27/09/73/877270973.db2.gz ZCCRFNDAZSTLGH-AWEZNQCLSA-N 2 2 379.854 3.687 20 0 GHADLP C[C@H]1CN(CCC[NH+]2CCCCC2)C(C)(C)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000451082394 877335520 /nfs/dbraw/zinc/33/55/20/877335520.db2.gz MJRSAXLCQRLYBE-QFIPXVFZSA-N 3 2 378.649 3.523 20 0 GHADLP C[C@H]1CN(CCC[NH+]2CCCCC2)C(C)(C)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000451082394 877335532 /nfs/dbraw/zinc/33/55/32/877335532.db2.gz MJRSAXLCQRLYBE-QFIPXVFZSA-N 3 2 378.649 3.523 20 0 GHADLP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)C(C)(C)CN1CCC[NH+]1CCCCC1 ZINC000451082394 877335549 /nfs/dbraw/zinc/33/55/49/877335549.db2.gz MJRSAXLCQRLYBE-QFIPXVFZSA-N 3 2 378.649 3.523 20 0 GHADLP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)C(C)(C)CN1CCC[NH+]1CCCCC1 ZINC000451082394 877335564 /nfs/dbraw/zinc/33/55/64/877335564.db2.gz MJRSAXLCQRLYBE-QFIPXVFZSA-N 3 2 378.649 3.523 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793458 877436000 /nfs/dbraw/zinc/43/60/00/877436000.db2.gz ZHGYXMDPVLRUNV-SFHVURJKSA-N 2 2 381.524 3.538 20 0 GHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000551792937 877840834 /nfs/dbraw/zinc/84/08/34/877840834.db2.gz SOYCKKKFJHJKBM-DQMJNTIXSA-N 2 2 380.532 3.809 20 0 GHADLP C[C@H]1C(=O)N(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)[C@@H]1c1ccccc1 ZINC000788381689 878046011 /nfs/dbraw/zinc/04/60/11/878046011.db2.gz GQUPQDUDNAATBC-UTKZUKDTSA-N 2 2 378.520 3.576 20 0 GHADLP Cc1ccc([C@@H]2CC(=O)N(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)C2)cc1 ZINC000788383348 878047958 /nfs/dbraw/zinc/04/79/58/878047958.db2.gz WTTQMDHNWPWRAM-OAQYLSRUSA-N 2 2 392.547 3.681 20 0 GHADLP C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000176105931 878081764 /nfs/dbraw/zinc/08/17/64/878081764.db2.gz HOFWHVYELZGWIX-IFMALSPDSA-N 2 2 398.595 3.524 20 0 GHADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451538661 878098747 /nfs/dbraw/zinc/09/87/47/878098747.db2.gz TWXCGDYHDCWGNL-PGRDOPGGSA-N 2 2 393.522 3.682 20 0 GHADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451538661 878098766 /nfs/dbraw/zinc/09/87/66/878098766.db2.gz TWXCGDYHDCWGNL-PGRDOPGGSA-N 2 2 393.522 3.682 20 0 GHADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451538661 878098785 /nfs/dbraw/zinc/09/87/85/878098785.db2.gz TWXCGDYHDCWGNL-PGRDOPGGSA-N 2 2 393.522 3.682 20 0 GHADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451538661 878098798 /nfs/dbraw/zinc/09/87/98/878098798.db2.gz TWXCGDYHDCWGNL-PGRDOPGGSA-N 2 2 393.522 3.682 20 0 GHADLP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000788586948 878187290 /nfs/dbraw/zinc/18/72/90/878187290.db2.gz GTPOCRNCHZTGKA-ROUUACIJSA-N 2 2 376.545 3.899 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000788586945 878187361 /nfs/dbraw/zinc/18/73/61/878187361.db2.gz GTPOCRNCHZTGKA-MSOLQXFVSA-N 2 2 376.545 3.899 20 0 GHADLP C[NH+](C)CCN(CC1CCCCC1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000667033132 878387338 /nfs/dbraw/zinc/38/73/38/878387338.db2.gz FDVRLDHWFNZZDQ-NRFANRHFSA-N 2 2 382.552 3.902 20 0 GHADLP CN(C(=O)c1cccc2ncccc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245693004 878402149 /nfs/dbraw/zinc/40/21/49/878402149.db2.gz JWOGSARHRVCUEY-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cccc2ncccc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245693004 878402156 /nfs/dbraw/zinc/40/21/56/878402156.db2.gz JWOGSARHRVCUEY-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1nc2c(s1)CCCC2 ZINC000537882499 878453418 /nfs/dbraw/zinc/45/34/18/878453418.db2.gz HVEUNCKIUOCEAJ-WBVHZDCISA-N 2 2 390.622 3.723 20 0 GHADLP CN(C(=O)CSc1ccccc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245748947 878536960 /nfs/dbraw/zinc/53/69/60/878536960.db2.gz XBUVXQTVASNKRD-LEWJYISDSA-N 2 2 389.609 3.574 20 0 GHADLP CN(C(=O)CSc1ccccc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245748947 878536969 /nfs/dbraw/zinc/53/69/69/878536969.db2.gz XBUVXQTVASNKRD-LEWJYISDSA-N 2 2 389.609 3.574 20 0 GHADLP Cc1ccc2c(C)cc(N3CCC(OCC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)[nH+]c2c1 ZINC000460946059 878835962 /nfs/dbraw/zinc/83/59/62/878835962.db2.gz CTRHHNZRYJVYAT-BGYRXZFFSA-N 2 2 397.563 3.946 20 0 GHADLP Cc1ccc2c(C)cc(N3CCC(OCC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)[nH+]c2c1 ZINC000460946059 878835970 /nfs/dbraw/zinc/83/59/70/878835970.db2.gz CTRHHNZRYJVYAT-BGYRXZFFSA-N 2 2 397.563 3.946 20 0 GHADLP Clc1ccc(-n2c(C[NH+]3CCCC3)nnc2SCC[NH+]2CCCC2)cc1 ZINC000789589146 879084247 /nfs/dbraw/zinc/08/42/47/879084247.db2.gz BCSOXSYMHSQZKX-UHFFFAOYSA-N 2 2 391.972 3.704 20 0 GHADLP CN(C)c1ccc(NC(=O)CC[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000790120314 879488295 /nfs/dbraw/zinc/48/82/95/879488295.db2.gz FAGHXSFSMLQBKW-QFIPXVFZSA-N 2 2 380.536 3.508 20 0 GHADLP CN(C(=O)Nc1ccccc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246393463 879506792 /nfs/dbraw/zinc/50/67/92/879506792.db2.gz HPQNWCVIVMULFN-VQTJNVASSA-N 2 2 376.520 3.627 20 0 GHADLP CN(C(=O)Nc1ccccc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246393463 879506796 /nfs/dbraw/zinc/50/67/96/879506796.db2.gz HPQNWCVIVMULFN-VQTJNVASSA-N 2 2 376.520 3.627 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000180953501 879525319 /nfs/dbraw/zinc/52/53/19/879525319.db2.gz HVVREYTZHFQDJN-FQEVSTJZSA-N 2 2 380.492 3.892 20 0 GHADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790314796 879592120 /nfs/dbraw/zinc/59/21/20/879592120.db2.gz PCBSTYYGMGACIM-XMMPIXPASA-N 2 2 391.559 3.774 20 0 GHADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790314796 879592131 /nfs/dbraw/zinc/59/21/31/879592131.db2.gz PCBSTYYGMGACIM-XMMPIXPASA-N 2 2 391.559 3.774 20 0 GHADLP C[N@@H+](Cc1ccccc1-c1ccccc1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790363808 879631299 /nfs/dbraw/zinc/63/12/99/879631299.db2.gz VHAGTNCHSGNYCR-XMMPIXPASA-N 2 2 391.515 3.660 20 0 GHADLP C[N@H+](Cc1ccccc1-c1ccccc1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790363808 879631306 /nfs/dbraw/zinc/63/13/06/879631306.db2.gz VHAGTNCHSGNYCR-XMMPIXPASA-N 2 2 391.515 3.660 20 0 GHADLP CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2)ncn1 ZINC000246513640 879643221 /nfs/dbraw/zinc/64/32/21/879643221.db2.gz UFIRQIFCYQAPSO-XLIONFOSSA-N 2 2 376.508 3.544 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(OC(F)F)cc1 ZINC000538558174 879713230 /nfs/dbraw/zinc/71/32/30/879713230.db2.gz RNOUKUNUPVQAGZ-WMLDXEAASA-N 2 2 376.451 3.996 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000531427303 879813079 /nfs/dbraw/zinc/81/30/79/879813079.db2.gz XCAMQLNUFAFVPO-LBPRGKRZSA-N 2 2 382.386 3.515 20 0 GHADLP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182950327 880043074 /nfs/dbraw/zinc/04/30/74/880043074.db2.gz AFAVCBMLRYLOSB-LJQANCHMSA-N 2 2 398.551 3.546 20 0 GHADLP c1coc(-c2nc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)cs2)c1 ZINC000182980163 880046659 /nfs/dbraw/zinc/04/66/59/880046659.db2.gz ZYXYFJVKFCHONS-UHFFFAOYSA-N 2 2 375.538 3.728 20 0 GHADLP Fc1cccc(-c2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)o2)c1F ZINC000790961417 880103473 /nfs/dbraw/zinc/10/34/73/880103473.db2.gz AFLXQNOAYPLZFU-KRWDZBQOSA-N 2 2 376.447 3.958 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ncc(-c2ccccc2)n1C ZINC000453089331 880448092 /nfs/dbraw/zinc/44/80/92/880448092.db2.gz NWQYFPTVVZQYBY-SFHVURJKSA-N 2 2 378.520 3.878 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453101320 880465560 /nfs/dbraw/zinc/46/55/60/880465560.db2.gz YUUWBRWKYXJPTQ-OTWHNJEPSA-N 2 2 392.469 3.978 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453101320 880465571 /nfs/dbraw/zinc/46/55/71/880465571.db2.gz YUUWBRWKYXJPTQ-OTWHNJEPSA-N 2 2 392.469 3.978 20 0 GHADLP FC(F)(F)[C@H]1C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1C(F)(F)F ZINC000643250717 912573549 /nfs/dbraw/zinc/57/35/49/912573549.db2.gz GEHCUUGUSRADMP-HOTGVXAUSA-N 2 2 396.375 3.691 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3c(C)cc(C)cc3Cl)CC2)CC1 ZINC000643257667 912579162 /nfs/dbraw/zinc/57/91/62/912579162.db2.gz XTQSDQMSYOCHFY-UHFFFAOYSA-N 2 2 392.975 3.981 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3c(C)cc(C)cc3Cl)CC2)CC1 ZINC000643257667 912579175 /nfs/dbraw/zinc/57/91/75/912579175.db2.gz XTQSDQMSYOCHFY-UHFFFAOYSA-N 2 2 392.975 3.981 20 0 GHADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1sccc1Br ZINC000531952827 880812205 /nfs/dbraw/zinc/81/22/05/880812205.db2.gz PLEBXSTWQUCJDQ-ZDUSSCGKSA-N 2 2 395.370 3.508 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000429526078 880850581 /nfs/dbraw/zinc/85/05/81/880850581.db2.gz GBJGDDDVNBFIRL-UNMCSNQZSA-N 2 2 387.568 3.555 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000429526078 880850596 /nfs/dbraw/zinc/85/05/96/880850596.db2.gz GBJGDDDVNBFIRL-UNMCSNQZSA-N 2 2 387.568 3.555 20 0 GHADLP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)C1CCSCC1 ZINC000187025442 881053139 /nfs/dbraw/zinc/05/31/39/881053139.db2.gz RRJOIUWNWAWVQZ-HXUWFJFHSA-N 2 2 375.626 3.706 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccnn1-c1ccccc1 ZINC000467348498 881137000 /nfs/dbraw/zinc/13/70/00/881137000.db2.gz GARRXCXLCXEJSL-XLIONFOSSA-N 2 2 376.508 3.581 20 0 GHADLP CC[C@@H](NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)C1CCCCC1 ZINC000643378189 912667771 /nfs/dbraw/zinc/66/77/71/912667771.db2.gz PJHUGZFZZLILMB-OAQYLSRUSA-N 2 2 378.605 3.547 20 0 GHADLP CC[C@@H](NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)C1CCCCC1 ZINC000643378189 912667780 /nfs/dbraw/zinc/66/77/80/912667780.db2.gz PJHUGZFZZLILMB-OAQYLSRUSA-N 2 2 378.605 3.547 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)c2cccc(Br)c2)C[C@@H]1c1ccccc1 ZINC000551085772 883259533 /nfs/dbraw/zinc/25/95/33/883259533.db2.gz HNPQVXAYHKPSCP-SLFFLAALSA-N 2 2 389.337 3.908 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)c2cccc(Br)c2)C[C@@H]1c1ccccc1 ZINC000551085772 883259547 /nfs/dbraw/zinc/25/95/47/883259547.db2.gz HNPQVXAYHKPSCP-SLFFLAALSA-N 2 2 389.337 3.908 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000551274179 883585601 /nfs/dbraw/zinc/58/56/01/883585601.db2.gz CFKMWJYJQXMXJW-FOIQADDNSA-N 2 2 389.337 3.519 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000551274179 883585614 /nfs/dbraw/zinc/58/56/14/883585614.db2.gz CFKMWJYJQXMXJW-FOIQADDNSA-N 2 2 389.337 3.519 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]Cc3ccc(OCC4CC4)cc3)C2)cc1 ZINC000428542250 883951986 /nfs/dbraw/zinc/95/19/86/883951986.db2.gz FTWLSASCQXRVNK-XMMPIXPASA-N 2 2 380.532 3.856 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]Cc3ccc(OCC4CC4)cc3)C2)cc1 ZINC000428542250 883951994 /nfs/dbraw/zinc/95/19/94/883951994.db2.gz FTWLSASCQXRVNK-XMMPIXPASA-N 2 2 380.532 3.856 20 0 GHADLP Nc1cc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)cc[nH+]1 ZINC000859962013 884214370 /nfs/dbraw/zinc/21/43/70/884214370.db2.gz CUJJSQXXOHSBST-RTBURBONSA-N 2 2 393.512 3.684 20 0 GHADLP Nc1cc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)cc[nH+]1 ZINC000859962013 884214389 /nfs/dbraw/zinc/21/43/89/884214389.db2.gz CUJJSQXXOHSBST-RTBURBONSA-N 2 2 393.512 3.684 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000476184825 884221852 /nfs/dbraw/zinc/22/18/52/884221852.db2.gz YUWICYRHGDRVCU-HXUWFJFHSA-N 2 2 381.520 3.578 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000476184825 884221869 /nfs/dbraw/zinc/22/18/69/884221869.db2.gz YUWICYRHGDRVCU-HXUWFJFHSA-N 2 2 381.520 3.578 20 0 GHADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(C(=O)N(C)C)cc1 ZINC000494926744 884223876 /nfs/dbraw/zinc/22/38/76/884223876.db2.gz ZBRCLEGEZMDCQE-GOSISDBHSA-N 2 2 376.504 3.527 20 0 GHADLP O[C@H](COc1ccc(Oc2ccccc2)cc1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495009799 884368841 /nfs/dbraw/zinc/36/88/41/884368841.db2.gz VLVHKIHSSOYRQP-MOPGFXCFSA-N 2 2 393.487 3.821 20 0 GHADLP O[C@H](COc1ccc(Oc2ccccc2)cc1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495009799 884368851 /nfs/dbraw/zinc/36/88/51/884368851.db2.gz VLVHKIHSSOYRQP-MOPGFXCFSA-N 2 2 393.487 3.821 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](CO)c3ccc(Cl)cc3)CC2)cc1 ZINC000806179749 884460879 /nfs/dbraw/zinc/46/08/79/884460879.db2.gz GTAWWZHGHGZEPG-GOSISDBHSA-N 2 2 387.955 3.741 20 0 GHADLP Nc1ccc(CCC(=O)Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)c[nH+]1 ZINC001183934022 912892221 /nfs/dbraw/zinc/89/22/21/912892221.db2.gz DRHBFWZCJNLMEN-NRFANRHFSA-N 2 2 378.520 3.578 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1ncc(Br)c1C1CC1 ZINC000762077237 885345712 /nfs/dbraw/zinc/34/57/12/885345712.db2.gz ZKAGUJBNTOKFLQ-UHFFFAOYSA-N 2 2 380.334 3.652 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1ncc(Br)c1C1CC1 ZINC000762077237 885345731 /nfs/dbraw/zinc/34/57/31/885345731.db2.gz ZKAGUJBNTOKFLQ-UHFFFAOYSA-N 2 2 380.334 3.652 20 0 GHADLP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000303026707 885429735 /nfs/dbraw/zinc/42/97/35/885429735.db2.gz OKIOSQBJBZNLSN-WOJBJXKFSA-N 2 2 382.527 3.816 20 0 GHADLP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000303026707 885429738 /nfs/dbraw/zinc/42/97/38/885429738.db2.gz OKIOSQBJBZNLSN-WOJBJXKFSA-N 2 2 382.527 3.816 20 0 GHADLP COCCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1OC ZINC000131096127 885493569 /nfs/dbraw/zinc/49/35/69/885493569.db2.gz SLABNIWYMFYILS-NRFANRHFSA-N 2 2 390.568 3.808 20 0 GHADLP COCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1OC ZINC000131096127 885493579 /nfs/dbraw/zinc/49/35/79/885493579.db2.gz SLABNIWYMFYILS-NRFANRHFSA-N 2 2 390.568 3.808 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1sccc1Br ZINC000532452733 885507083 /nfs/dbraw/zinc/50/70/83/885507083.db2.gz VSBQTQYVSQLECC-CYBMUJFWSA-N 2 2 395.370 3.508 20 0 GHADLP C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000131103164 885523383 /nfs/dbraw/zinc/52/33/83/885523383.db2.gz YWQSPSYEGXHDKF-WMZHIEFXSA-N 2 2 388.515 3.757 20 0 GHADLP CN(C(=O)NCCCC1CCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000666614592 885547474 /nfs/dbraw/zinc/54/74/74/885547474.db2.gz RWGXJMFGJJPGNZ-RTWAWAEBSA-N 2 2 378.605 3.545 20 0 GHADLP CN(C(=O)NCCCC1CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000666614592 885547484 /nfs/dbraw/zinc/54/74/84/885547484.db2.gz RWGXJMFGJJPGNZ-RTWAWAEBSA-N 2 2 378.605 3.545 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000532515538 885911202 /nfs/dbraw/zinc/91/12/02/885911202.db2.gz DVVCJGVPSZOYQG-WMLDXEAASA-N 2 2 394.357 3.773 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000532515538 885911216 /nfs/dbraw/zinc/91/12/16/885911216.db2.gz DVVCJGVPSZOYQG-WMLDXEAASA-N 2 2 394.357 3.773 20 0 GHADLP C[N@H+](Cc1cc(Br)cc(Br)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236211914 885935245 /nfs/dbraw/zinc/93/52/45/885935245.db2.gz JSZBGFKSNVCUSZ-ZIAGYGMSSA-N 2 2 376.136 3.913 20 0 GHADLP C[N@@H+](Cc1cc(Br)cc(Br)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236211914 885935256 /nfs/dbraw/zinc/93/52/56/885935256.db2.gz JSZBGFKSNVCUSZ-ZIAGYGMSSA-N 2 2 376.136 3.913 20 0 GHADLP CC[NH+]1CCC(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC001184106311 913004428 /nfs/dbraw/zinc/00/44/28/913004428.db2.gz MZUWMHYBDJERKI-LOSJGSFVSA-N 3 2 377.576 3.976 20 0 GHADLP CC[NH+]1CCC(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC001184106311 913004441 /nfs/dbraw/zinc/00/44/41/913004441.db2.gz MZUWMHYBDJERKI-LOSJGSFVSA-N 3 2 377.576 3.976 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cn2c(=S)snc2-c2ccccc2)C1 ZINC000747471840 886145900 /nfs/dbraw/zinc/14/59/00/886145900.db2.gz WKKDFSTXJSIERY-QGZVFWFLSA-N 2 2 392.594 3.731 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cn2c(=S)snc2-c2ccccc2)C1 ZINC000747471840 886145913 /nfs/dbraw/zinc/14/59/13/886145913.db2.gz WKKDFSTXJSIERY-QGZVFWFLSA-N 2 2 392.594 3.731 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173453793 886310631 /nfs/dbraw/zinc/31/06/31/886310631.db2.gz KSFVOFRZBGBPJE-DLBZAZTESA-N 2 2 398.532 3.534 20 0 GHADLP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001168235419 886341331 /nfs/dbraw/zinc/34/13/31/886341331.db2.gz VAAJQRCRBYEKMY-HYFFOGBASA-N 2 2 383.511 3.552 20 0 GHADLP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001168235419 886341344 /nfs/dbraw/zinc/34/13/44/886341344.db2.gz VAAJQRCRBYEKMY-HYFFOGBASA-N 2 2 383.511 3.552 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3c[nH]c4c3cccc4F)CC2)CC1 ZINC001137052995 886590326 /nfs/dbraw/zinc/59/03/26/886590326.db2.gz UTVULXAQTVIMCM-UHFFFAOYSA-N 2 2 387.499 3.547 20 0 GHADLP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000556922302 886743009 /nfs/dbraw/zinc/74/30/09/886743009.db2.gz BBPBZZVZXZJFJE-SMLSOGCJSA-N 2 2 377.960 3.710 20 0 GHADLP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000556922302 886743014 /nfs/dbraw/zinc/74/30/14/886743014.db2.gz BBPBZZVZXZJFJE-SMLSOGCJSA-N 2 2 377.960 3.710 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(F)c(F)c(F)c1 ZINC000537620001 886761442 /nfs/dbraw/zinc/76/14/42/886761442.db2.gz MNLORJSLISESIH-UHFFFAOYSA-N 3 2 383.502 3.732 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(F)c(F)c(F)c1 ZINC000537620001 886761449 /nfs/dbraw/zinc/76/14/49/886761449.db2.gz MNLORJSLISESIH-UHFFFAOYSA-N 3 2 383.502 3.732 20 0 GHADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CCSC1 ZINC000762751947 886794866 /nfs/dbraw/zinc/79/48/66/886794866.db2.gz BQZZARZNWCIXNB-WIRSXHRWSA-N 2 2 397.629 3.582 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125518169 886874983 /nfs/dbraw/zinc/87/49/83/886874983.db2.gz HFRYIGPTWRUJLE-CVDCTZTESA-N 3 2 398.620 3.855 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125518169 886875004 /nfs/dbraw/zinc/87/50/04/886875004.db2.gz HFRYIGPTWRUJLE-CVDCTZTESA-N 3 2 398.620 3.855 20 0 GHADLP CCCC[C@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000236819811 886887036 /nfs/dbraw/zinc/88/70/36/886887036.db2.gz DUXYCFAZBNAVHJ-QFIPXVFZSA-N 2 2 376.504 3.732 20 0 GHADLP C[NH+](C)CCCCCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000119382007 886999736 /nfs/dbraw/zinc/99/97/36/886999736.db2.gz PWFLLTWEXBTWCH-UXHICEINSA-N 2 2 396.526 3.521 20 0 GHADLP C[NH+](C)CCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000119382007 886999744 /nfs/dbraw/zinc/99/97/44/886999744.db2.gz PWFLLTWEXBTWCH-UXHICEINSA-N 2 2 396.526 3.521 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000495805018 887130698 /nfs/dbraw/zinc/13/06/98/887130698.db2.gz VVTPQCUHTZQSCV-UHFFFAOYSA-N 2 2 397.350 3.573 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000495805018 887130703 /nfs/dbraw/zinc/13/07/03/887130703.db2.gz VVTPQCUHTZQSCV-UHFFFAOYSA-N 2 2 397.350 3.573 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1CCc1ccccc1 ZINC000495818356 887149791 /nfs/dbraw/zinc/14/97/91/887149791.db2.gz AAISGGFHAHLGEB-UHFFFAOYSA-N 2 2 393.575 3.570 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1CCc1ccccc1 ZINC000495818356 887149798 /nfs/dbraw/zinc/14/97/98/887149798.db2.gz AAISGGFHAHLGEB-UHFFFAOYSA-N 2 2 393.575 3.570 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000809606078 887576846 /nfs/dbraw/zinc/57/68/46/887576846.db2.gz LSDQUYAWPDLNRL-MRXNPFEDSA-N 2 2 387.549 3.853 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000809606078 887576856 /nfs/dbraw/zinc/57/68/56/887576856.db2.gz LSDQUYAWPDLNRL-MRXNPFEDSA-N 2 2 387.549 3.853 20 0 GHADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051758816 887780883 /nfs/dbraw/zinc/78/08/83/887780883.db2.gz AIZJWBHEBXDGBF-KRWDZBQOSA-N 2 2 398.551 3.694 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000648899985 888203557 /nfs/dbraw/zinc/20/35/57/888203557.db2.gz DZKDYYRVJQCGCN-MJGOQNOKSA-N 2 2 380.492 3.637 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC(C)(C)CCC[NH+](C)C)n2)C1 ZINC000454271284 888262142 /nfs/dbraw/zinc/26/21/42/888262142.db2.gz GKYLTTYJYIYHPZ-OAHLLOKOSA-N 2 2 381.590 3.617 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC(C)(C)CCC[NH+](C)C)n2)C1 ZINC000454271284 888262154 /nfs/dbraw/zinc/26/21/54/888262154.db2.gz GKYLTTYJYIYHPZ-OAHLLOKOSA-N 2 2 381.590 3.617 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3c(Cl)cncc3Cl)[nH+]c2)CC1 ZINC000865496860 888387055 /nfs/dbraw/zinc/38/70/55/888387055.db2.gz UYDCEWLUNKSNFB-UHFFFAOYSA-N 2 2 380.323 3.926 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c(C)c1 ZINC000810698847 888808653 /nfs/dbraw/zinc/80/86/53/888808653.db2.gz XNEHIFPGSCFQSK-DENIHFKCSA-N 2 2 386.515 3.570 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)c(C)c1 ZINC000810698847 888808666 /nfs/dbraw/zinc/80/86/66/888808666.db2.gz XNEHIFPGSCFQSK-DENIHFKCSA-N 2 2 386.515 3.570 20 0 GHADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168509053 888840051 /nfs/dbraw/zinc/84/00/51/888840051.db2.gz KJZRKRTYEPGTCT-LSDHHAIUSA-N 2 2 381.483 3.638 20 0 GHADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168509053 888840069 /nfs/dbraw/zinc/84/00/69/888840069.db2.gz KJZRKRTYEPGTCT-LSDHHAIUSA-N 2 2 381.483 3.638 20 0 GHADLP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000868814609 889610062 /nfs/dbraw/zinc/61/00/62/889610062.db2.gz FIUSJGNDTKEWSB-IBGZPJMESA-N 2 2 375.900 3.652 20 0 GHADLP CC(C)C[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)NC(=O)OC(C)(C)C ZINC000811473810 889659221 /nfs/dbraw/zinc/65/92/21/889659221.db2.gz MOZRAXZNLRRKOC-SFHVURJKSA-N 2 2 376.545 3.579 20 0 GHADLP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CS2 ZINC000655761961 889692839 /nfs/dbraw/zinc/69/28/39/889692839.db2.gz RXEIFTQQNSJDET-RDJZCZTQSA-N 2 2 397.382 3.829 20 0 GHADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000124750567 889748758 /nfs/dbraw/zinc/74/87/58/889748758.db2.gz JHJNIRLDPIEOQY-WTIAFYNJSA-N 2 2 385.596 3.976 20 0 GHADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000124750567 889748763 /nfs/dbraw/zinc/74/87/63/889748763.db2.gz JHJNIRLDPIEOQY-WTIAFYNJSA-N 2 2 385.596 3.976 20 0 GHADLP CN(C(=O)c1ccccc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124802326 889767786 /nfs/dbraw/zinc/76/77/86/889767786.db2.gz QYVHANPGWPBFAI-UXHICEINSA-N 2 2 377.960 3.749 20 0 GHADLP CN(C(=O)c1ccccc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124802326 889767796 /nfs/dbraw/zinc/76/77/96/889767796.db2.gz QYVHANPGWPBFAI-UXHICEINSA-N 2 2 377.960 3.749 20 0 GHADLP CN(C(=O)c1cc2ccccc2n1C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124873050 889798869 /nfs/dbraw/zinc/79/88/69/889798869.db2.gz CIMVWRGJTPGFHG-FGZHOGPDSA-N 2 2 396.579 3.588 20 0 GHADLP CN(C(=O)c1cc2ccccc2n1C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124873050 889798874 /nfs/dbraw/zinc/79/88/74/889798874.db2.gz CIMVWRGJTPGFHG-FGZHOGPDSA-N 2 2 396.579 3.588 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 ZINC000533241313 890057469 /nfs/dbraw/zinc/05/74/69/890057469.db2.gz XFMQPXDLEWYTQV-UHFFFAOYSA-N 2 2 376.932 3.933 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 ZINC000533241313 890057479 /nfs/dbraw/zinc/05/74/79/890057479.db2.gz XFMQPXDLEWYTQV-UHFFFAOYSA-N 2 2 376.932 3.933 20 0 GHADLP C/C(=C\C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000747773803 890428968 /nfs/dbraw/zinc/42/89/68/890428968.db2.gz TWIWQHPAXPZVGO-WOJGMQOQSA-N 2 2 399.623 3.824 20 0 GHADLP CC[N@H+](CCOCC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395959 890455676 /nfs/dbraw/zinc/45/56/76/890455676.db2.gz ISDACWUWXZAQJU-UHFFFAOYSA-N 2 2 388.478 3.778 20 0 GHADLP CC[N@@H+](CCOCC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395959 890455679 /nfs/dbraw/zinc/45/56/79/890455679.db2.gz ISDACWUWXZAQJU-UHFFFAOYSA-N 2 2 388.478 3.778 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c(C)c1 ZINC000533528409 890760705 /nfs/dbraw/zinc/76/07/05/890760705.db2.gz WKYYRLLQEUTNAO-SIKLNZKXSA-N 2 2 395.551 3.557 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c(C)c1 ZINC000533528409 890760716 /nfs/dbraw/zinc/76/07/16/890760716.db2.gz WKYYRLLQEUTNAO-SIKLNZKXSA-N 2 2 395.551 3.557 20 0 GHADLP C[NH+](C)CCCOc1ccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000644871201 913521734 /nfs/dbraw/zinc/52/17/34/913521734.db2.gz OUAMIFUECZYTEP-OAQYLSRUSA-N 2 2 392.503 3.901 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000813328742 891511729 /nfs/dbraw/zinc/51/17/29/891511729.db2.gz NHXONOWWCMQLTH-JXALWOEJSA-N 2 2 378.564 3.860 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000813328742 891511734 /nfs/dbraw/zinc/51/17/34/891511734.db2.gz NHXONOWWCMQLTH-JXALWOEJSA-N 2 2 378.564 3.860 20 0 GHADLP C[C@@H]1[C@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000614903670 891574723 /nfs/dbraw/zinc/57/47/23/891574723.db2.gz VMCCDEMXXXWDLP-BVYCBKJFSA-N 2 2 388.515 3.711 20 0 GHADLP C[C@@H]1[C@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000614903670 891574735 /nfs/dbraw/zinc/57/47/35/891574735.db2.gz VMCCDEMXXXWDLP-BVYCBKJFSA-N 2 2 388.515 3.711 20 0 GHADLP CCc1nc(C(C)C)ccc1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000645123533 913693948 /nfs/dbraw/zinc/69/39/48/913693948.db2.gz HLVIBHXBNUEKGW-XMMPIXPASA-N 2 2 381.564 3.836 20 0 GHADLP CCc1nc(C(C)C)ccc1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000645123533 913693957 /nfs/dbraw/zinc/69/39/57/913693957.db2.gz HLVIBHXBNUEKGW-XMMPIXPASA-N 2 2 381.564 3.836 20 0 GHADLP CCc1nc(C(C)C)ccc1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000645123533 913693963 /nfs/dbraw/zinc/69/39/63/913693963.db2.gz HLVIBHXBNUEKGW-XMMPIXPASA-N 2 2 381.564 3.836 20 0 GHADLP CCc1nc(C(C)C)ccc1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000645123533 913693973 /nfs/dbraw/zinc/69/39/73/913693973.db2.gz HLVIBHXBNUEKGW-XMMPIXPASA-N 2 2 381.564 3.836 20 0 GHADLP CN(C(=O)Nc1cccc(F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000162586297 892819068 /nfs/dbraw/zinc/81/90/68/892819068.db2.gz YGMZYBWAIAJAOO-PMACEKPBSA-N 2 2 376.520 3.627 20 0 GHADLP CN(C(=O)Nc1cccc(F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000162586297 892819088 /nfs/dbraw/zinc/81/90/88/892819088.db2.gz YGMZYBWAIAJAOO-PMACEKPBSA-N 2 2 376.520 3.627 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129529619 893564446 /nfs/dbraw/zinc/56/44/46/893564446.db2.gz PKRDURDQIGHUMK-KSSFIOAISA-N 2 2 395.334 3.731 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129529619 893564454 /nfs/dbraw/zinc/56/44/54/893564454.db2.gz PKRDURDQIGHUMK-KSSFIOAISA-N 2 2 395.334 3.731 20 0 GHADLP CCOc1cc(C[NH2+]CCCNc2cccc[nH+]2)cc(Br)c1O ZINC000459481330 893595028 /nfs/dbraw/zinc/59/50/28/893595028.db2.gz PZWZZJCFFMOETG-UHFFFAOYSA-N 2 2 380.286 3.540 20 0 GHADLP Clc1cccc(N2CC[NH+](C3CC[NH+](CCc4ccncc4)CC3)CC2)c1 ZINC000459498396 893634201 /nfs/dbraw/zinc/63/42/01/893634201.db2.gz AQBGDKUKEODDJC-UHFFFAOYSA-N 2 2 384.955 3.564 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[NH+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556075990 893639963 /nfs/dbraw/zinc/63/99/63/893639963.db2.gz GYJJCDMFPHSMJB-VJTSUQJLSA-N 3 2 377.576 3.976 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[NH+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556075990 893639972 /nfs/dbraw/zinc/63/99/72/893639972.db2.gz GYJJCDMFPHSMJB-VJTSUQJLSA-N 3 2 377.576 3.976 20 0 GHADLP C[NH+]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556075990 893639978 /nfs/dbraw/zinc/63/99/78/893639978.db2.gz GYJJCDMFPHSMJB-VJTSUQJLSA-N 3 2 377.576 3.976 20 0 GHADLP C[NH+]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556075990 893639985 /nfs/dbraw/zinc/63/99/85/893639985.db2.gz GYJJCDMFPHSMJB-VJTSUQJLSA-N 3 2 377.576 3.976 20 0 GHADLP CC(C)OC1CC([NH+]2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)C1 ZINC000459512117 893669954 /nfs/dbraw/zinc/66/99/54/893669954.db2.gz QXDGCJAMQORKKO-UHFFFAOYSA-N 2 2 391.987 3.882 20 0 GHADLP c1cc(CN(CC[NH+]2CCCCCC2)C2CCC2)cc(C[NH+]2CCOCC2)c1 ZINC001170782071 893671944 /nfs/dbraw/zinc/67/19/44/893671944.db2.gz DBZOHKZLLDHAQW-UHFFFAOYSA-N 2 2 385.596 3.749 20 0 GHADLP C[C@@H]1CN(c2ccccc2C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCO1 ZINC000459536654 893709799 /nfs/dbraw/zinc/70/97/99/893709799.db2.gz SRJUMQAJRZWJKS-TZIWHRDSSA-N 2 2 394.563 3.824 20 0 GHADLP C[C@@H]1CN(c2ccccc2C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCO1 ZINC000459536654 893709808 /nfs/dbraw/zinc/70/98/08/893709808.db2.gz SRJUMQAJRZWJKS-TZIWHRDSSA-N 2 2 394.563 3.824 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2cccc3c2CC[NH2+]C3)c(C)c1 ZINC000563499211 893830925 /nfs/dbraw/zinc/83/09/25/893830925.db2.gz QPLJDTQUVUSHQX-QFIPXVFZSA-N 2 2 389.503 3.709 20 0 GHADLP c1ccc(N2CCC([NH2+]C3CCN(c4nc5ccccc5s4)CC3)CC2)[nH+]c1 ZINC000536850814 893933591 /nfs/dbraw/zinc/93/35/91/893933591.db2.gz HIRYODLSBGMOSB-UHFFFAOYSA-N 2 2 393.560 3.919 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)CC2)cc1 ZINC000556158917 894003291 /nfs/dbraw/zinc/00/32/91/894003291.db2.gz UDYWZCNECHJBFB-AWRGLXIESA-N 2 2 399.579 3.794 20 0 GHADLP CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000460117086 894746261 /nfs/dbraw/zinc/74/62/61/894746261.db2.gz ZIYQILLVLMILCQ-UHFFFAOYSA-N 2 2 383.540 3.670 20 0 GHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccncc2OCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000645457481 913911026 /nfs/dbraw/zinc/91/10/26/913911026.db2.gz VPDFTZMJGMAGGJ-QZTJIDSGSA-N 2 2 379.426 3.948 20 0 GHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccncc2OCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000645457481 913911036 /nfs/dbraw/zinc/91/10/36/913911036.db2.gz VPDFTZMJGMAGGJ-QZTJIDSGSA-N 2 2 379.426 3.948 20 0 GHADLP COc1cccc(C[C@@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)C2CC2)c1 ZINC000537457797 895076308 /nfs/dbraw/zinc/07/63/08/895076308.db2.gz QWAHBLCHPJMWHV-RBBKRZOGSA-N 2 2 380.536 3.664 20 0 GHADLP COCC[NH2+]C1CC[NH+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000565092709 895385745 /nfs/dbraw/zinc/38/57/45/895385745.db2.gz KUWFXIYICINZTA-SFHVURJKSA-N 2 2 381.520 3.700 20 0 GHADLP O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1cccs1 ZINC000817274123 895458414 /nfs/dbraw/zinc/45/84/14/895458414.db2.gz CDGXZHXWWFSYID-SFTDATJTSA-N 2 2 386.561 3.668 20 0 GHADLP O[C@@H](C[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1cccs1 ZINC000817274123 895458420 /nfs/dbraw/zinc/45/84/20/895458420.db2.gz CDGXZHXWWFSYID-SFTDATJTSA-N 2 2 386.561 3.668 20 0 GHADLP CC[C@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)s1 ZINC000565627335 895768888 /nfs/dbraw/zinc/76/88/88/895768888.db2.gz QZZHLGANRMIZCE-GJZGRUSLSA-N 2 2 392.956 3.575 20 0 GHADLP C[C@H](CC[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)[NH+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000566038287 896064284 /nfs/dbraw/zinc/06/42/84/896064284.db2.gz MTMGODBXGSYBEC-LLVBAIKDSA-N 2 2 388.596 3.832 20 0 GHADLP C[C@H](CC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)[NH+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000566038287 896064297 /nfs/dbraw/zinc/06/42/97/896064297.db2.gz MTMGODBXGSYBEC-LLVBAIKDSA-N 2 2 388.596 3.832 20 0 GHADLP C[C@H](CC[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000566038287 896064309 /nfs/dbraw/zinc/06/43/09/896064309.db2.gz MTMGODBXGSYBEC-LLVBAIKDSA-N 2 2 388.596 3.832 20 0 GHADLP C[C@H](CC[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000566038287 896064318 /nfs/dbraw/zinc/06/43/18/896064318.db2.gz MTMGODBXGSYBEC-LLVBAIKDSA-N 2 2 388.596 3.832 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C3CCC3)C3CCCC3)CC2)CC1 ZINC000645782275 914061453 /nfs/dbraw/zinc/06/14/53/914061453.db2.gz IFGSJSKAJDYXOZ-JOCHJYFZSA-N 2 2 390.616 3.547 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](C3CCC3)C3CCCC3)CC2)CC1 ZINC000645782275 914061467 /nfs/dbraw/zinc/06/14/67/914061467.db2.gz IFGSJSKAJDYXOZ-JOCHJYFZSA-N 2 2 390.616 3.547 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819182636 896452296 /nfs/dbraw/zinc/45/22/96/896452296.db2.gz GDPNHTMLWLUKQC-XOBRGWDASA-N 2 2 377.891 3.723 20 0 GHADLP c1[nH+]cn2ccc(-c3noc([C@H](c4ccccc4)[NH+]4CCSCC4)n3)cc12 ZINC000289222426 914094022 /nfs/dbraw/zinc/09/40/22/914094022.db2.gz NENJSCASRFLHEM-SFHVURJKSA-N 2 2 377.473 3.523 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000282827735 897015877 /nfs/dbraw/zinc/01/58/77/897015877.db2.gz JMKOKEZKUPNIOS-NRFANRHFSA-N 2 2 395.551 3.530 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000282827735 897015889 /nfs/dbraw/zinc/01/58/89/897015889.db2.gz JMKOKEZKUPNIOS-NRFANRHFSA-N 2 2 395.551 3.530 20 0 GHADLP COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000567483069 897191553 /nfs/dbraw/zinc/19/15/53/897191553.db2.gz JHCXLKYDVNYSNM-QGZVFWFLSA-N 2 2 378.314 3.961 20 0 GHADLP COc1ccc(Br)cc1[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000567483069 897191560 /nfs/dbraw/zinc/19/15/60/897191560.db2.gz JHCXLKYDVNYSNM-QGZVFWFLSA-N 2 2 378.314 3.961 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000820874420 897599420 /nfs/dbraw/zinc/59/94/20/897599420.db2.gz HTJRWMLVVGSERN-YLJYHZDGSA-N 2 2 388.556 3.596 20 0 GHADLP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000568735152 898072551 /nfs/dbraw/zinc/07/25/51/898072551.db2.gz YEJKWHZPFZSYHC-UHFFFAOYSA-N 2 2 386.496 3.574 20 0 GHADLP COc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc(OC)c1O ZINC000569271815 898490511 /nfs/dbraw/zinc/49/05/11/898490511.db2.gz CLEBLFBAXQNEGP-LJQANCHMSA-N 2 2 381.476 3.754 20 0 GHADLP COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282881315 898517533 /nfs/dbraw/zinc/51/75/33/898517533.db2.gz YOWLHAIWFBCNPR-MRXNPFEDSA-N 2 2 385.508 3.625 20 0 GHADLP COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282881315 898517541 /nfs/dbraw/zinc/51/75/41/898517541.db2.gz YOWLHAIWFBCNPR-MRXNPFEDSA-N 2 2 385.508 3.625 20 0 GHADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569482028 898700587 /nfs/dbraw/zinc/70/05/87/898700587.db2.gz XFINJIUARLIOCG-RYGJVYDSSA-N 2 2 389.902 3.597 20 0 GHADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569482028 898700594 /nfs/dbraw/zinc/70/05/94/898700594.db2.gz XFINJIUARLIOCG-RYGJVYDSSA-N 2 2 389.902 3.597 20 0 GHADLP Cc1ccccc1[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000112205535 898857269 /nfs/dbraw/zinc/85/72/69/898857269.db2.gz ZUUGZEAVPQFGRE-JOCHJYFZSA-N 2 2 386.584 3.550 20 0 GHADLP CN(C(=O)Cc1ccc(C2CCCCC2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001136737792 899080233 /nfs/dbraw/zinc/08/02/33/899080233.db2.gz QJEIQLRJUNCIFJ-DEOSSOPVSA-N 2 2 397.607 3.904 20 0 GHADLP CN(C(=O)Cc1ccc(C2CCCCC2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001136737792 899080249 /nfs/dbraw/zinc/08/02/49/899080249.db2.gz QJEIQLRJUNCIFJ-DEOSSOPVSA-N 2 2 397.607 3.904 20 0 GHADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccnc(Cl)c3F)cc2)C[C@H](C)O1 ZINC000823624647 899141444 /nfs/dbraw/zinc/14/14/44/899141444.db2.gz CDCCJFVXWDBZDG-GJZGRUSLSA-N 2 2 377.891 3.773 20 0 GHADLP Cn1cc(-c2ccc(C[N@H+](C)C3CC[NH+](CCc4ccccn4)CC3)s2)cn1 ZINC000282897575 899148094 /nfs/dbraw/zinc/14/80/94/899148094.db2.gz YMRGTSBAWGRWNL-UHFFFAOYSA-N 2 2 395.576 3.683 20 0 GHADLP Cn1cc(-c2ccc(C[N@@H+](C)C3CC[NH+](CCc4ccccn4)CC3)s2)cn1 ZINC000282897575 899148102 /nfs/dbraw/zinc/14/81/02/899148102.db2.gz YMRGTSBAWGRWNL-UHFFFAOYSA-N 2 2 395.576 3.683 20 0 GHADLP COCC[NH2+]C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000570215333 899200486 /nfs/dbraw/zinc/20/04/86/899200486.db2.gz GBNILVFAILMTRN-UHFFFAOYSA-N 2 2 396.560 3.801 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000570289871 899243193 /nfs/dbraw/zinc/24/31/93/899243193.db2.gz VOUHXOXPOREQEL-LBPRGKRZSA-N 2 2 384.705 3.704 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000570289871 899243208 /nfs/dbraw/zinc/24/32/08/899243208.db2.gz VOUHXOXPOREQEL-LBPRGKRZSA-N 2 2 384.705 3.704 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000823887614 899306891 /nfs/dbraw/zinc/30/68/91/899306891.db2.gz LSWBRQBUTLSOPL-MSOLQXFVSA-N 2 2 397.604 3.501 20 0 GHADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000824575889 899694595 /nfs/dbraw/zinc/69/45/95/899694595.db2.gz SZMYELBAHGEFOS-LPHOPBHVSA-N 2 2 385.512 3.535 20 0 GHADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000824575889 899694599 /nfs/dbraw/zinc/69/45/99/899694599.db2.gz SZMYELBAHGEFOS-LPHOPBHVSA-N 2 2 385.512 3.535 20 0 GHADLP Clc1cc(Cl)c2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@H+](CC3CCOCC3)C1)C2 ZINC001171071844 899872855 /nfs/dbraw/zinc/87/28/55/899872855.db2.gz GLEFTPUECQHARL-ZWKOTPCHSA-N 2 2 383.363 3.941 20 0 GHADLP Clc1cc(Cl)c2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC3CCOCC3)C1)C2 ZINC001171071844 899872860 /nfs/dbraw/zinc/87/28/60/899872860.db2.gz GLEFTPUECQHARL-ZWKOTPCHSA-N 2 2 383.363 3.941 20 0 GHADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1F ZINC000333125861 899982951 /nfs/dbraw/zinc/98/29/51/899982951.db2.gz HXEDVGQJCVCPBM-MRXNPFEDSA-N 2 2 384.499 3.874 20 0 GHADLP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333188955 900021522 /nfs/dbraw/zinc/02/15/22/900021522.db2.gz VEGDFAFYDWYYRV-UHFFFAOYSA-N 2 2 399.583 3.515 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000825257053 900054762 /nfs/dbraw/zinc/05/47/62/900054762.db2.gz SGMHDKAZPFNNFU-DOTOQJQBSA-N 2 2 388.487 3.794 20 0 GHADLP Cc1cc(Br)cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000774995357 914415548 /nfs/dbraw/zinc/41/55/48/914415548.db2.gz BZXFOXDCTLWDCJ-SFHVURJKSA-N 2 2 389.341 3.905 20 0 GHADLP Ic1cccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000572384286 900164185 /nfs/dbraw/zinc/16/41/85/900164185.db2.gz OTQAVHNJYZSHMA-UHFFFAOYSA-N 2 2 389.240 3.767 20 0 GHADLP CC(C)(CO)[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000573590196 900569734 /nfs/dbraw/zinc/56/97/34/900569734.db2.gz FQFMADBMRKBLHA-GOTSBHOMSA-N 2 2 382.548 3.627 20 0 GHADLP CC(C)(CO)[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000573590196 900569742 /nfs/dbraw/zinc/56/97/42/900569742.db2.gz FQFMADBMRKBLHA-GOTSBHOMSA-N 2 2 382.548 3.627 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[N@@H+]1C ZINC000093644679 901558655 /nfs/dbraw/zinc/55/86/55/901558655.db2.gz DWCBIDAKMWTOFP-XXBNENTESA-N 2 2 389.547 3.908 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[N@H+]1C ZINC000093644679 901558746 /nfs/dbraw/zinc/55/87/46/901558746.db2.gz DWCBIDAKMWTOFP-XXBNENTESA-N 2 2 389.547 3.908 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[NH+]1C ZINC000093644679 901558847 /nfs/dbraw/zinc/55/88/47/901558847.db2.gz DWCBIDAKMWTOFP-XXBNENTESA-N 2 2 389.547 3.908 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[NH+]1C ZINC000093644679 901558940 /nfs/dbraw/zinc/55/89/40/901558940.db2.gz DWCBIDAKMWTOFP-XXBNENTESA-N 2 2 389.547 3.908 20 0 GHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000093742342 901560615 /nfs/dbraw/zinc/56/06/15/901560615.db2.gz PHGCQFSUONDBSN-OAQYLSRUSA-N 2 2 383.536 3.833 20 0 GHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000093742342 901560625 /nfs/dbraw/zinc/56/06/25/901560625.db2.gz PHGCQFSUONDBSN-OAQYLSRUSA-N 2 2 383.536 3.833 20 0 GHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000093742342 901560632 /nfs/dbraw/zinc/56/06/32/901560632.db2.gz PHGCQFSUONDBSN-OAQYLSRUSA-N 2 2 383.536 3.833 20 0 GHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000093742342 901560642 /nfs/dbraw/zinc/56/06/42/901560642.db2.gz PHGCQFSUONDBSN-OAQYLSRUSA-N 2 2 383.536 3.833 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000576228024 901842343 /nfs/dbraw/zinc/84/23/43/901842343.db2.gz WNRVORIMIIBFHJ-NEPJUHHUSA-N 2 2 390.742 3.907 20 0 GHADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000576228024 901842352 /nfs/dbraw/zinc/84/23/52/901842352.db2.gz WNRVORIMIIBFHJ-NEPJUHHUSA-N 2 2 390.742 3.907 20 0 GHADLP Cc1nc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)sc1C ZINC001144364256 901906979 /nfs/dbraw/zinc/90/69/79/901906979.db2.gz JWKNFDAXSOIWAK-KRWDZBQOSA-N 2 2 375.538 3.608 20 0 GHADLP Cc1nc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)sc1C ZINC001144364256 901906983 /nfs/dbraw/zinc/90/69/83/901906983.db2.gz JWKNFDAXSOIWAK-KRWDZBQOSA-N 2 2 375.538 3.608 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC000158757833 902081576 /nfs/dbraw/zinc/08/15/76/902081576.db2.gz KSCFHGBNGTXUKJ-QFIPXVFZSA-N 2 2 382.508 3.705 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC000158757833 902081584 /nfs/dbraw/zinc/08/15/84/902081584.db2.gz KSCFHGBNGTXUKJ-QFIPXVFZSA-N 2 2 382.508 3.705 20 0 GHADLP COC(=O)c1ccc([C@@H](C)[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)o1 ZINC000576550776 902090708 /nfs/dbraw/zinc/09/07/08/902090708.db2.gz BGKKIFHQRZCKII-CVEARBPZSA-N 2 2 376.522 3.951 20 0 GHADLP COC(=O)c1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)o1 ZINC000576550776 902090716 /nfs/dbraw/zinc/09/07/16/902090716.db2.gz BGKKIFHQRZCKII-CVEARBPZSA-N 2 2 376.522 3.951 20 0 GHADLP COC(=O)c1ccc([C@@H](C)[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)o1 ZINC000576550776 902090724 /nfs/dbraw/zinc/09/07/24/902090724.db2.gz BGKKIFHQRZCKII-CVEARBPZSA-N 2 2 376.522 3.951 20 0 GHADLP COC(=O)c1ccc([C@@H](C)[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)o1 ZINC000576550776 902090745 /nfs/dbraw/zinc/09/07/45/902090745.db2.gz BGKKIFHQRZCKII-CVEARBPZSA-N 2 2 376.522 3.951 20 0 GHADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000576725425 902218476 /nfs/dbraw/zinc/21/84/76/902218476.db2.gz FVMKJOWIVAUCHE-NRFANRHFSA-N 2 2 376.504 3.522 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000778977765 902431121 /nfs/dbraw/zinc/43/11/21/902431121.db2.gz QCBDEKANCWTPTM-PZJWPPBQSA-N 2 2 390.478 3.590 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000778977765 902431126 /nfs/dbraw/zinc/43/11/26/902431126.db2.gz QCBDEKANCWTPTM-PZJWPPBQSA-N 2 2 390.478 3.590 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1F ZINC000846059425 902616896 /nfs/dbraw/zinc/61/68/96/902616896.db2.gz BYAXWGYULLKXQR-UHFFFAOYSA-N 2 2 388.487 3.601 20 0 GHADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600724355 902846026 /nfs/dbraw/zinc/84/60/26/902846026.db2.gz GVJOHQPQBDJBSU-IUODEOHRSA-N 2 2 384.398 3.569 20 0 GHADLP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600724355 902846032 /nfs/dbraw/zinc/84/60/32/902846032.db2.gz GVJOHQPQBDJBSU-IUODEOHRSA-N 2 2 384.398 3.569 20 0 GHADLP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000779015058 902864503 /nfs/dbraw/zinc/86/45/03/902864503.db2.gz MMLUWAJQAYLQNC-VDGAXYAQSA-N 2 2 388.556 3.692 20 0 GHADLP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000779015058 902864510 /nfs/dbraw/zinc/86/45/10/902864510.db2.gz MMLUWAJQAYLQNC-VDGAXYAQSA-N 2 2 388.556 3.692 20 0 GHADLP C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000600999604 903209058 /nfs/dbraw/zinc/20/90/58/903209058.db2.gz YFQNLRMGSHOVCL-QHCPKHFHSA-N 2 2 388.515 3.699 20 0 GHADLP C[N@H+]1CCCC[C@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000600999604 903209066 /nfs/dbraw/zinc/20/90/66/903209066.db2.gz YFQNLRMGSHOVCL-QHCPKHFHSA-N 2 2 388.515 3.699 20 0 GHADLP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001146291152 903489048 /nfs/dbraw/zinc/48/90/48/903489048.db2.gz NECCSBLGIRJGSH-AYOQOUSVSA-N 2 2 395.950 3.680 20 0 GHADLP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001146291152 903489056 /nfs/dbraw/zinc/48/90/56/903489056.db2.gz NECCSBLGIRJGSH-AYOQOUSVSA-N 2 2 395.950 3.680 20 0 GHADLP COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C1)CC2 ZINC001171311880 903829480 /nfs/dbraw/zinc/82/94/80/903829480.db2.gz PFYVYNOBNCPYTF-CEXWTWQISA-N 2 2 397.950 3.665 20 0 GHADLP COc1ccc(Cl)c2c1C[C@H]([N@@H+]1C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C1)CC2 ZINC001171311880 903829489 /nfs/dbraw/zinc/82/94/89/903829489.db2.gz PFYVYNOBNCPYTF-CEXWTWQISA-N 2 2 397.950 3.665 20 0 GHADLP COc1ccc(Cl)c2c1C[C@H]([NH+]1C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C1)CC2 ZINC001171311880 903829494 /nfs/dbraw/zinc/82/94/94/903829494.db2.gz PFYVYNOBNCPYTF-CEXWTWQISA-N 2 2 397.950 3.665 20 0 GHADLP COc1ccc(Cl)c2c1C[C@H]([NH+]1C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C1)CC2 ZINC001171311880 903829501 /nfs/dbraw/zinc/82/95/01/903829501.db2.gz PFYVYNOBNCPYTF-CEXWTWQISA-N 2 2 397.950 3.665 20 0 GHADLP COc1ccc(Cl)c2c1C[C@H]([NH+]1C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C1)CC2 ZINC001171311885 903830507 /nfs/dbraw/zinc/83/05/07/903830507.db2.gz PFYVYNOBNCPYTF-GUDVDZBRSA-N 2 2 397.950 3.665 20 0 GHADLP C[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)N1CCc2ccccc2C1 ZINC000159819050 904155008 /nfs/dbraw/zinc/15/50/08/904155008.db2.gz SZSZTKPASYTSRA-FQEVSTJZSA-N 2 2 392.591 3.758 20 0 GHADLP COC(=O)c1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1F ZINC000579014610 904293055 /nfs/dbraw/zinc/29/30/55/904293055.db2.gz TXQFMAGTAFHZMF-KRWDZBQOSA-N 2 2 390.524 3.936 20 0 GHADLP COC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1F ZINC000579014610 904293064 /nfs/dbraw/zinc/29/30/64/904293064.db2.gz TXQFMAGTAFHZMF-KRWDZBQOSA-N 2 2 390.524 3.936 20 0 GHADLP COC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1F ZINC000579014610 904293077 /nfs/dbraw/zinc/29/30/77/904293077.db2.gz TXQFMAGTAFHZMF-KRWDZBQOSA-N 2 2 390.524 3.936 20 0 GHADLP COC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1F ZINC000579014610 904293091 /nfs/dbraw/zinc/29/30/91/904293091.db2.gz TXQFMAGTAFHZMF-KRWDZBQOSA-N 2 2 390.524 3.936 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000153416682 904361288 /nfs/dbraw/zinc/36/12/88/904361288.db2.gz NLLBCPOIYROVAQ-VGOFRKELSA-N 2 2 390.487 3.841 20 0 GHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c2ccccc21 ZINC000579221190 904440012 /nfs/dbraw/zinc/44/00/12/904440012.db2.gz MDHCJVBFOUKLMY-NIKGAXFTSA-N 2 2 389.421 3.541 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cs1 ZINC001171620712 904886231 /nfs/dbraw/zinc/88/62/31/904886231.db2.gz DVPAWGMUOYUXCE-UHFFFAOYSA-N 3 2 384.659 3.679 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC12CCC2 ZINC001171843921 905092858 /nfs/dbraw/zinc/09/28/58/905092858.db2.gz DXECFVKREJPBFF-UXHICEINSA-N 2 2 385.552 3.694 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC12CCC2 ZINC001171843921 905092878 /nfs/dbraw/zinc/09/28/78/905092878.db2.gz DXECFVKREJPBFF-UXHICEINSA-N 2 2 385.552 3.694 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CC12CCC2 ZINC001171850042 905098345 /nfs/dbraw/zinc/09/83/45/905098345.db2.gz CZIJEYNHMKSZOZ-LJQANCHMSA-N 2 2 389.584 3.726 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CC12CCC2 ZINC001171850042 905098363 /nfs/dbraw/zinc/09/83/63/905098363.db2.gz CZIJEYNHMKSZOZ-LJQANCHMSA-N 2 2 389.584 3.726 20 0 GHADLP CCOC(=O)C1(C)CCC([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)CC1 ZINC001171953192 905158382 /nfs/dbraw/zinc/15/83/82/905158382.db2.gz IFABTMHZPXRCCP-PDDLGQBUSA-N 2 2 390.572 3.612 20 0 GHADLP CCOC(=O)C1(C)CCC([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)CC1 ZINC001171953192 905158393 /nfs/dbraw/zinc/15/83/93/905158393.db2.gz IFABTMHZPXRCCP-PDDLGQBUSA-N 2 2 390.572 3.612 20 0 GHADLP CCOC(=O)C1(C)CCC([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)CC1 ZINC001171953192 905158409 /nfs/dbraw/zinc/15/84/09/905158409.db2.gz IFABTMHZPXRCCP-PDDLGQBUSA-N 2 2 390.572 3.612 20 0 GHADLP CCOC(=O)C1(C)CCC([NH2+]C2CC[NH+](Cc3cccc(OC)c3)CC2)CC1 ZINC001171943994 905195996 /nfs/dbraw/zinc/19/59/96/905195996.db2.gz JGIXOPXRIMQETQ-UHFFFAOYSA-N 2 2 388.552 3.761 20 0 GHADLP Brc1ccc(N2CCC(n3cc[nH+]c3[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001171997336 905209636 /nfs/dbraw/zinc/20/96/36/905209636.db2.gz WBWNNRCRFRRVTI-HNNXBMFYSA-N 2 2 389.341 3.954 20 0 GHADLP CCOC(=O)c1ccnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171973188 905219150 /nfs/dbraw/zinc/21/91/50/905219150.db2.gz WVPCRCMOSNNPRG-FQEVSTJZSA-N 2 2 381.520 3.791 20 0 GHADLP CCOC(=O)c1ccnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171973188 905219161 /nfs/dbraw/zinc/21/91/61/905219161.db2.gz WVPCRCMOSNNPRG-FQEVSTJZSA-N 2 2 381.520 3.791 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cccnc1 ZINC001171977202 905222487 /nfs/dbraw/zinc/22/24/87/905222487.db2.gz YIXWQMCMBJJMJL-RTWAWAEBSA-N 2 2 381.520 3.719 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cccnc1 ZINC001171977202 905222493 /nfs/dbraw/zinc/22/24/93/905222493.db2.gz YIXWQMCMBJJMJL-RTWAWAEBSA-N 2 2 381.520 3.719 20 0 GHADLP Cc1cccc(N2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)n1 ZINC001171976232 905223839 /nfs/dbraw/zinc/22/38/39/905223839.db2.gz JKUXPYBMVLHGEW-QFIPXVFZSA-N 2 2 378.564 3.955 20 0 GHADLP Cc1cccc(N2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)n1 ZINC001171976232 905223849 /nfs/dbraw/zinc/22/38/49/905223849.db2.gz JKUXPYBMVLHGEW-QFIPXVFZSA-N 2 2 378.564 3.955 20 0 GHADLP COC(=O)c1ccc([C@H](CO)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171979769 905229150 /nfs/dbraw/zinc/22/91/50/905229150.db2.gz QQKLHEDKIQUBMC-VXKWHMMOSA-N 2 2 396.531 3.539 20 0 GHADLP COC(=O)c1ccc([C@H](CO)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171979769 905229165 /nfs/dbraw/zinc/22/91/65/905229165.db2.gz QQKLHEDKIQUBMC-VXKWHMMOSA-N 2 2 396.531 3.539 20 0 GHADLP CC1(C)C[C@@H](N2CC[NH+](Cc3ccncc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171980036 905229847 /nfs/dbraw/zinc/22/98/47/905229847.db2.gz CUGSZTBPXYBXCO-QHCPKHFHSA-N 2 2 378.564 3.642 20 0 GHADLP CC1(C)C[C@@H](N2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171980036 905229866 /nfs/dbraw/zinc/22/98/66/905229866.db2.gz CUGSZTBPXYBXCO-QHCPKHFHSA-N 2 2 378.564 3.642 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000174301587 905250780 /nfs/dbraw/zinc/25/07/80/905250780.db2.gz BHLOPUQYNWGHEC-SFHVURJKSA-N 2 2 397.519 3.506 20 0 GHADLP CCCNC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172073843 905281357 /nfs/dbraw/zinc/28/13/57/905281357.db2.gz CYUXDTDMDOXORC-BJESRGMDSA-N 2 2 383.580 3.953 20 0 GHADLP CCCNC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172073843 905281369 /nfs/dbraw/zinc/28/13/69/905281369.db2.gz CYUXDTDMDOXORC-BJESRGMDSA-N 2 2 383.580 3.953 20 0 GHADLP CCCNC(=O)[C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172073843 905281379 /nfs/dbraw/zinc/28/13/79/905281379.db2.gz CYUXDTDMDOXORC-BJESRGMDSA-N 2 2 383.580 3.953 20 0 GHADLP CCCNC(=O)[C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073843 905281400 /nfs/dbraw/zinc/28/14/00/905281400.db2.gz CYUXDTDMDOXORC-BJESRGMDSA-N 2 2 383.580 3.953 20 0 GHADLP CCOc1ccc([C@@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172063033 905324989 /nfs/dbraw/zinc/32/49/89/905324989.db2.gz VONHKGXWDZIOPN-KAOXLYBCSA-N 2 2 395.547 3.689 20 0 GHADLP CCOc1ccc([C@@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172063033 905325001 /nfs/dbraw/zinc/32/50/01/905325001.db2.gz VONHKGXWDZIOPN-KAOXLYBCSA-N 2 2 395.547 3.689 20 0 GHADLP COCCC[NH+]1CCC([NH+]2CCN(c3cccc(-c4ccccc4)c3)CC2)CC1 ZINC001172253764 905448305 /nfs/dbraw/zinc/44/83/05/905448305.db2.gz BCDHZJLVJIDOMO-UHFFFAOYSA-N 2 2 393.575 3.977 20 0 GHADLP CC[C@H](C)OCC[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001172335613 905500812 /nfs/dbraw/zinc/50/08/12/905500812.db2.gz KEPGNVYUMYIKLU-HBFSDRIKSA-N 2 2 397.604 3.644 20 0 GHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001172520269 905614352 /nfs/dbraw/zinc/61/43/52/905614352.db2.gz LGGMCRWZMUVXKS-MLCQCVOFSA-N 2 2 383.580 3.637 20 0 GHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001172520269 905614365 /nfs/dbraw/zinc/61/43/65/905614365.db2.gz LGGMCRWZMUVXKS-MLCQCVOFSA-N 2 2 383.580 3.637 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]CC2C[NH+](C)C2)CCN1C(=O)OC(C)(C)C ZINC001172607057 905667142 /nfs/dbraw/zinc/66/71/42/905667142.db2.gz TVMADPFXPOJQNN-UYAOXDASSA-N 2 2 391.531 3.726 20 0 GHADLP CC(C)(C)OC(=O)C[NH+]1CCC(NC(=[NH2+])Cc2cccc(C(F)(F)F)c2)CC1 ZINC001172887645 905976237 /nfs/dbraw/zinc/97/62/37/905976237.db2.gz REDCQDQJVWYRBE-UHFFFAOYSA-N 2 2 399.457 3.621 20 0 GHADLP CC[NH+](CC)C1CCC([NH2+]CCSCc2csc(C[NH+](C)C)n2)CC1 ZINC001173103675 906190867 /nfs/dbraw/zinc/19/08/67/906190867.db2.gz ODXHXYFMUAHJAC-UHFFFAOYSA-N 3 2 384.659 3.681 20 0 GHADLP C[C@@H](CC(c1ccccc1)c1ccccc1)n1c[nH+]cc1CCNC(=O)CC[NH3+] ZINC001173208238 906324746 /nfs/dbraw/zinc/32/47/46/906324746.db2.gz BVYUOHQANVGHIO-IBGZPJMESA-N 2 2 390.531 3.674 20 0 GHADLP [NH3+]C1(C(=O)NCc2ccccc2)CC[NH+]([C@@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173340218 906381487 /nfs/dbraw/zinc/38/14/87/906381487.db2.gz BXFDOGCVJHQIBV-OAQYLSRUSA-N 2 2 383.580 3.989 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173345295 906385866 /nfs/dbraw/zinc/38/58/66/906385866.db2.gz DRALNXBWQAZOSB-GGAORHGYSA-N 2 2 378.601 3.940 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173345295 906385875 /nfs/dbraw/zinc/38/58/75/906385875.db2.gz DRALNXBWQAZOSB-GGAORHGYSA-N 2 2 378.601 3.940 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173345295 906385891 /nfs/dbraw/zinc/38/58/91/906385891.db2.gz DRALNXBWQAZOSB-GGAORHGYSA-N 2 2 378.601 3.940 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173345295 906385904 /nfs/dbraw/zinc/38/59/04/906385904.db2.gz DRALNXBWQAZOSB-GGAORHGYSA-N 2 2 378.601 3.940 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1nc2ccccc2n1C ZINC000180096086 906688003 /nfs/dbraw/zinc/68/80/03/906688003.db2.gz TWVZBGQOOFZUJU-IAGOWNOFSA-N 2 2 395.526 3.876 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000365942888 921259920 /nfs/dbraw/zinc/25/99/20/921259920.db2.gz QQZGVKUTFNNKFC-UHFFFAOYSA-N 2 2 385.512 3.542 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000365942888 921259924 /nfs/dbraw/zinc/25/99/24/921259924.db2.gz QQZGVKUTFNNKFC-UHFFFAOYSA-N 2 2 385.512 3.542 20 0 GHADLP [NH3+]C[C@@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@H]1C(F)(F)F ZINC000629657566 906934768 /nfs/dbraw/zinc/93/47/68/906934768.db2.gz ZTVFVOLNHDCNMF-UKRRQHHQSA-N 2 2 375.866 3.899 20 0 GHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@H]1C(F)(F)F ZINC000629657566 906934776 /nfs/dbraw/zinc/93/47/76/906934776.db2.gz ZTVFVOLNHDCNMF-UKRRQHHQSA-N 2 2 375.866 3.899 20 0 GHADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000183405579 907381981 /nfs/dbraw/zinc/38/19/81/907381981.db2.gz PVONQUAQISZIML-HNNXBMFYSA-N 2 2 397.450 3.722 20 0 GHADLP C[C@H](C[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)NC(=O)OC(C)(C)C ZINC001175381098 907528622 /nfs/dbraw/zinc/52/86/22/907528622.db2.gz DJJKKVHOJBAIHS-YSZBQJHXSA-N 2 2 387.568 3.744 20 0 GHADLP C[C@H](C[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)NC(=O)OC(C)(C)C ZINC001175381098 907528628 /nfs/dbraw/zinc/52/86/28/907528628.db2.gz DJJKKVHOJBAIHS-YSZBQJHXSA-N 2 2 387.568 3.744 20 0 GHADLP C[C@H](C[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)NC(=O)OC(C)(C)C ZINC001175381098 907528640 /nfs/dbraw/zinc/52/86/40/907528640.db2.gz DJJKKVHOJBAIHS-YSZBQJHXSA-N 2 2 387.568 3.744 20 0 GHADLP C[C@H](C[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)NC(=O)OC(C)(C)C ZINC001175381098 907528648 /nfs/dbraw/zinc/52/86/48/907528648.db2.gz DJJKKVHOJBAIHS-YSZBQJHXSA-N 2 2 387.568 3.744 20 0 GHADLP COc1cc(-c2nc(C[N@@H+]3CCN(c4cc[nH+]cc4)[C@@H](C)C3)cs2)ccc1O ZINC001175769750 907735993 /nfs/dbraw/zinc/73/59/93/907735993.db2.gz SWNWDBPPHTXGNX-HNNXBMFYSA-N 2 2 396.516 3.630 20 0 GHADLP COc1cc(-c2nc(C[N@H+]3CCN(c4cc[nH+]cc4)[C@@H](C)C3)cs2)ccc1O ZINC001175769750 907736000 /nfs/dbraw/zinc/73/60/00/907736000.db2.gz SWNWDBPPHTXGNX-HNNXBMFYSA-N 2 2 396.516 3.630 20 0 GHADLP CC[NH+]1CCN(c2ccc(Nc3cc(OC)c(C(F)(F)F)c[nH+]3)cc2)CC1 ZINC001175782165 907743165 /nfs/dbraw/zinc/74/31/65/907743165.db2.gz OMHDBZKTNNCSQC-UHFFFAOYSA-N 2 2 380.414 3.995 20 0 GHADLP C[C@@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185671761 907810898 /nfs/dbraw/zinc/81/08/98/907810898.db2.gz AXLPZEZKDGPHSC-HZPDHXFCSA-N 2 2 386.565 3.502 20 0 GHADLP C[C@@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185671761 907810909 /nfs/dbraw/zinc/81/09/09/907810909.db2.gz AXLPZEZKDGPHSC-HZPDHXFCSA-N 2 2 386.565 3.502 20 0 GHADLP CC(C)c1ccc2c(c1)[C@@H](NC(=O)NC1CC[NH+](C3CC[NH+](C)CC3)CC1)CC2 ZINC000186556581 907941961 /nfs/dbraw/zinc/94/19/61/907941961.db2.gz WZOLMXAUINJUQV-QHCPKHFHSA-N 2 2 398.595 3.655 20 0 GHADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3C)nc1)CCC2 ZINC000192705642 908816422 /nfs/dbraw/zinc/81/64/22/908816422.db2.gz SPSLIFXPXGNCJE-QGZVFWFLSA-N 2 2 394.475 3.821 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)n1cc[nH+]c1 ZINC000635281242 909201730 /nfs/dbraw/zinc/20/17/30/909201730.db2.gz WIPBOALTBWFIOT-VQTJNVASSA-N 2 2 396.535 3.575 20 0 GHADLP COc1ccc(-c2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cs2)cc1OC ZINC000266689440 909260881 /nfs/dbraw/zinc/26/08/81/909260881.db2.gz AGNQOGCIPJWGRZ-UHFFFAOYSA-N 2 2 384.505 3.930 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cs2)cc1 ZINC000266714314 909270890 /nfs/dbraw/zinc/27/08/90/909270890.db2.gz GBXQHCLWOJCHBT-UHFFFAOYSA-N 2 2 382.489 3.699 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc(Br)cc1F ZINC000266931627 909341389 /nfs/dbraw/zinc/34/13/89/909341389.db2.gz ORMNXCXXNACGGL-GFCCVEGCSA-N 2 2 395.276 3.520 20 0 GHADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc(Br)cc1F ZINC000266931627 909341405 /nfs/dbraw/zinc/34/14/05/909341405.db2.gz ORMNXCXXNACGGL-GFCCVEGCSA-N 2 2 395.276 3.520 20 0 GHADLP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267398174 909481242 /nfs/dbraw/zinc/48/12/42/909481242.db2.gz FKOICANVAPRMBH-INIZCTEOSA-N 2 2 380.448 3.621 20 0 GHADLP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267398174 909481253 /nfs/dbraw/zinc/48/12/53/909481253.db2.gz FKOICANVAPRMBH-INIZCTEOSA-N 2 2 380.448 3.621 20 0 GHADLP Cc1cccc([C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(C)C)c1 ZINC000637478045 909828230 /nfs/dbraw/zinc/82/82/30/909828230.db2.gz MOBABKHAHCRGOQ-YADHBBJMSA-N 2 2 386.584 3.502 20 0 GHADLP Cc1cccc([C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(C)C)c1 ZINC000637478045 909828243 /nfs/dbraw/zinc/82/82/43/909828243.db2.gz MOBABKHAHCRGOQ-YADHBBJMSA-N 2 2 386.584 3.502 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(-n2cccn2)cc1 ZINC000268770495 910007527 /nfs/dbraw/zinc/00/75/27/910007527.db2.gz LMYYLQNKYCMUOJ-IBGZPJMESA-N 2 2 376.504 3.555 20 0 GHADLP CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(F)ccc1F ZINC000268783289 910014404 /nfs/dbraw/zinc/01/44/04/910014404.db2.gz AIPLVJQGKHVZBH-OAQYLSRUSA-N 2 2 387.474 3.593 20 0 GHADLP CN(C(=O)Nc1ccc(Cl)nc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246044561 910058455 /nfs/dbraw/zinc/05/84/55/910058455.db2.gz APRFAGRLCJWGPH-ZWKOTPCHSA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1ccc(Cl)nc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246044561 910058472 /nfs/dbraw/zinc/05/84/72/910058472.db2.gz APRFAGRLCJWGPH-ZWKOTPCHSA-N 2 2 393.963 3.536 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(-c3ccccn3)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC001180288704 910074823 /nfs/dbraw/zinc/07/48/23/910074823.db2.gz KOUOTZGDMCDQHA-RXVVDRJESA-N 2 2 375.520 3.957 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(-c3ccccn3)n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC001180288704 910074837 /nfs/dbraw/zinc/07/48/37/910074837.db2.gz KOUOTZGDMCDQHA-RXVVDRJESA-N 2 2 375.520 3.957 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(-c3ccccn3)n[nH]2)CC[NH+]1Cc1ccccc1 ZINC001180288704 910074841 /nfs/dbraw/zinc/07/48/41/910074841.db2.gz KOUOTZGDMCDQHA-RXVVDRJESA-N 2 2 375.520 3.957 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(-c3ccccn3)n[nH]2)CC[NH+]1Cc1ccccc1 ZINC001180288704 910074845 /nfs/dbraw/zinc/07/48/45/910074845.db2.gz KOUOTZGDMCDQHA-RXVVDRJESA-N 2 2 375.520 3.957 20 0 GHADLP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639346437 910393123 /nfs/dbraw/zinc/39/31/23/910393123.db2.gz RABPQEKGEQHFQK-CRAIPNDOSA-N 2 2 378.442 3.897 20 0 GHADLP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639346437 910393135 /nfs/dbraw/zinc/39/31/35/910393135.db2.gz RABPQEKGEQHFQK-CRAIPNDOSA-N 2 2 378.442 3.897 20 0 GHADLP c1cc([C@H]2CCC[NH+]2CC(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)c2ccccc2)n[nH]1 ZINC000639616347 910563922 /nfs/dbraw/zinc/56/39/22/910563922.db2.gz FQLPKEFVMXLUAB-DHIUTWEWSA-N 2 2 390.535 3.891 20 0 GHADLP c1cc([C@H]2CCC[NH+]2CC(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)c2ccccc2)n[nH]1 ZINC000639616347 910563935 /nfs/dbraw/zinc/56/39/35/910563935.db2.gz FQLPKEFVMXLUAB-DHIUTWEWSA-N 2 2 390.535 3.891 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000247085286 910958369 /nfs/dbraw/zinc/95/83/69/910958369.db2.gz XAHOWDMTIOBYMW-CRAIPNDOSA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000247085286 910958382 /nfs/dbraw/zinc/95/83/82/910958382.db2.gz XAHOWDMTIOBYMW-CRAIPNDOSA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)n1 ZINC000247085286 910958392 /nfs/dbraw/zinc/95/83/92/910958392.db2.gz XAHOWDMTIOBYMW-CRAIPNDOSA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)n1 ZINC000247085286 910958408 /nfs/dbraw/zinc/95/84/08/910958408.db2.gz XAHOWDMTIOBYMW-CRAIPNDOSA-N 2 2 394.350 3.934 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000247147323 910999117 /nfs/dbraw/zinc/99/91/17/910999117.db2.gz SSQRURSZFHGMTL-QFBILLFUSA-N 2 2 389.341 3.686 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000247147323 910999126 /nfs/dbraw/zinc/99/91/26/910999126.db2.gz SSQRURSZFHGMTL-QFBILLFUSA-N 2 2 389.341 3.686 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000247147323 910999133 /nfs/dbraw/zinc/99/91/33/910999133.db2.gz SSQRURSZFHGMTL-QFBILLFUSA-N 2 2 389.341 3.686 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000247147323 910999140 /nfs/dbraw/zinc/99/91/40/910999140.db2.gz SSQRURSZFHGMTL-QFBILLFUSA-N 2 2 389.341 3.686 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC001181818754 911020411 /nfs/dbraw/zinc/02/04/11/911020411.db2.gz PJZUJEMZNMGDKG-MDPIYQRISA-N 2 2 383.580 3.985 20 0 GHADLP [NH3+]CCC1CC[NH+](Cc2cc(Br)ccc2OC(F)(F)F)CC1 ZINC001206506832 911610429 /nfs/dbraw/zinc/61/04/29/911610429.db2.gz SBGSQMCQBKDXDL-UHFFFAOYSA-N 2 2 381.236 3.909 20 0 GHADLP CC1CC[NH+](CCC[C@@H]([NH2+]Cc2nnc3n2CCC3)c2ccc(F)cc2)CC1 ZINC000284271296 911809642 /nfs/dbraw/zinc/80/96/42/911809642.db2.gz WWRIVRBITLJBGI-HXUWFJFHSA-N 2 2 385.531 3.706 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCc2ccccc21 ZINC001182733887 912013235 /nfs/dbraw/zinc/01/32/35/912013235.db2.gz HBTPOOGQRFVHAM-FQEVSTJZSA-N 2 2 380.532 3.559 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCc2ccccc21 ZINC001182733887 912013249 /nfs/dbraw/zinc/01/32/49/912013249.db2.gz HBTPOOGQRFVHAM-FQEVSTJZSA-N 2 2 380.532 3.559 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000291469693 915200435 /nfs/dbraw/zinc/20/04/35/915200435.db2.gz OWZJVVJTUDEDJZ-QGZVFWFLSA-N 2 2 388.556 3.502 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)cn1 ZINC000292018089 915475724 /nfs/dbraw/zinc/47/57/24/915475724.db2.gz CAHJGMGCCNTMBQ-LAUBAEHRSA-N 2 2 380.467 3.972 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292031280 915483221 /nfs/dbraw/zinc/48/32/21/915483221.db2.gz DIXGAKSNANHEDX-ROUUACIJSA-N 2 2 380.536 3.660 20 0 GHADLP CN(C(=O)C(C)(C)c1cccc2ccccc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648310844 915610437 /nfs/dbraw/zinc/61/04/37/915610437.db2.gz QVQHJPMWIOMOBA-OAQYLSRUSA-N 2 2 393.575 3.744 20 0 GHADLP CN(C(=O)C(C)(C)c1cccc2ccccc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648310844 915610444 /nfs/dbraw/zinc/61/04/44/915610444.db2.gz QVQHJPMWIOMOBA-OAQYLSRUSA-N 2 2 393.575 3.744 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]([NH3+])c3cccc(Cl)c3)n2)C1 ZINC000649278597 916090745 /nfs/dbraw/zinc/09/07/45/916090745.db2.gz OYHXHTWNZHGXOZ-WBMJQRKESA-N 2 2 378.929 3.667 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]([NH3+])c3cccc(Cl)c3)n2)C1 ZINC000649278597 916090765 /nfs/dbraw/zinc/09/07/65/916090765.db2.gz OYHXHTWNZHGXOZ-WBMJQRKESA-N 2 2 378.929 3.667 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]([NH3+])c3cccc(Cl)c3)n2)C1 ZINC000649278594 916091164 /nfs/dbraw/zinc/09/11/64/916091164.db2.gz OYHXHTWNZHGXOZ-BLLLJJGKSA-N 2 2 378.929 3.667 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]([NH3+])c3cccc(Cl)c3)n2)C1 ZINC000649278594 916091180 /nfs/dbraw/zinc/09/11/80/916091180.db2.gz OYHXHTWNZHGXOZ-BLLLJJGKSA-N 2 2 378.929 3.667 20 0 GHADLP CN(C(=O)c1ccc2ccncc2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000649917668 916523462 /nfs/dbraw/zinc/52/34/62/916523462.db2.gz XCARZFQFBBJTDY-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccc2ccncc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000649917668 916523468 /nfs/dbraw/zinc/52/34/68/916523468.db2.gz XCARZFQFBBJTDY-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP Cc1ccccc1OCCC[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001190417067 917323848 /nfs/dbraw/zinc/32/38/48/917323848.db2.gz GNCDTFUPPPTXNE-UHFFFAOYSA-N 2 2 381.564 3.908 20 0 GHADLP Cc1ccccc1OCCC[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001190417067 917323865 /nfs/dbraw/zinc/32/38/65/917323865.db2.gz GNCDTFUPPPTXNE-UHFFFAOYSA-N 2 2 381.564 3.908 20 0 GHADLP COCC1=CC[NH+](Cc2cc(Cl)cc(C[N@H+]3CC=C(COC)CC3)c2)CC1 ZINC000295765513 917476702 /nfs/dbraw/zinc/47/67/02/917476702.db2.gz PHQRGVWIYDNVDQ-UHFFFAOYSA-N 2 2 390.955 3.897 20 0 GHADLP COCC1=CC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CC=C(COC)CC3)c2)CC1 ZINC000295765513 917476706 /nfs/dbraw/zinc/47/67/06/917476706.db2.gz PHQRGVWIYDNVDQ-UHFFFAOYSA-N 2 2 390.955 3.897 20 0 GHADLP Cc1cccn2cc(CCNC(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)[nH+]c12 ZINC000653616560 918358811 /nfs/dbraw/zinc/35/88/11/918358811.db2.gz GRUMCNMLJVTUNQ-HXUWFJFHSA-N 2 2 377.492 3.556 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654023541 918705022 /nfs/dbraw/zinc/70/50/22/918705022.db2.gz YZABJZLHIAYBIQ-NHCUHLMSSA-N 2 2 391.519 3.740 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654023541 918705036 /nfs/dbraw/zinc/70/50/36/918705036.db2.gz YZABJZLHIAYBIQ-NHCUHLMSSA-N 2 2 391.519 3.740 20 0 GHADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc2ccccc2c1 ZINC000364403274 919416787 /nfs/dbraw/zinc/41/67/87/919416787.db2.gz ABKCTKGXUSLIBR-JPYJTQIMSA-N 2 2 379.548 3.570 20 0 GHADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc2ccccc2c1 ZINC000364403274 919416798 /nfs/dbraw/zinc/41/67/98/919416798.db2.gz ABKCTKGXUSLIBR-JPYJTQIMSA-N 2 2 379.548 3.570 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)C2 ZINC000364557387 919637867 /nfs/dbraw/zinc/63/78/67/919637867.db2.gz ARLWSNHXLQSWPN-INIZCTEOSA-N 2 2 395.551 3.783 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)CC2 ZINC000364557387 919637888 /nfs/dbraw/zinc/63/78/88/919637888.db2.gz ARLWSNHXLQSWPN-INIZCTEOSA-N 2 2 395.551 3.783 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000297926509 919968705 /nfs/dbraw/zinc/96/87/05/919968705.db2.gz XKHBCARQTLTPFG-YSIASYRMSA-N 2 2 385.939 3.585 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000297926509 919968712 /nfs/dbraw/zinc/96/87/12/919968712.db2.gz XKHBCARQTLTPFG-YSIASYRMSA-N 2 2 385.939 3.585 20 0 GHADLP CC(C)(C)OC(=O)Nc1ncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000800513366 920225654 /nfs/dbraw/zinc/22/56/54/920225654.db2.gz YPGNPUUFSRJZBJ-RHSMWYFYSA-N 2 2 392.569 3.939 20 0 GHADLP CC(C)(C)OC(=O)Nc1ncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000800513366 920225669 /nfs/dbraw/zinc/22/56/69/920225669.db2.gz YPGNPUUFSRJZBJ-RHSMWYFYSA-N 2 2 392.569 3.939 20 0 GHADLP CC(C)(C)OC(=O)Nc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000800513366 920225683 /nfs/dbraw/zinc/22/56/83/920225683.db2.gz YPGNPUUFSRJZBJ-RHSMWYFYSA-N 2 2 392.569 3.939 20 0 GHADLP CC(C)(C)OC(=O)Nc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000800513366 920225699 /nfs/dbraw/zinc/22/56/99/920225699.db2.gz YPGNPUUFSRJZBJ-RHSMWYFYSA-N 2 2 392.569 3.939 20 0 GHADLP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000298682075 920799949 /nfs/dbraw/zinc/79/99/49/920799949.db2.gz ZDGPVVYEKDYSLV-JTHBVZDNSA-N 2 2 386.499 3.688 20 0 GHADLP Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000298682075 920799959 /nfs/dbraw/zinc/79/99/59/920799959.db2.gz ZDGPVVYEKDYSLV-JTHBVZDNSA-N 2 2 386.499 3.688 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(=O)[nH]n1 ZINC000367592155 922218424 /nfs/dbraw/zinc/21/84/24/922218424.db2.gz BIBLXZJGZYMSGH-OHNRDTAOSA-N 2 2 394.441 3.935 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(=O)[nH]n1 ZINC000367592155 922218439 /nfs/dbraw/zinc/21/84/39/922218439.db2.gz BIBLXZJGZYMSGH-OHNRDTAOSA-N 2 2 394.441 3.935 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000902975894 922670715 /nfs/dbraw/zinc/67/07/15/922670715.db2.gz KHXUESKORISFTA-AWEZNQCLSA-N 2 2 375.519 3.578 20 0 GHADLP C[C@@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902989962 922690120 /nfs/dbraw/zinc/69/01/20/922690120.db2.gz PKQAFVRIJOHFNW-MSOLQXFVSA-N 2 2 378.476 3.533 20 0 GHADLP Fc1ccccc1[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CCOCC1 ZINC000903075275 922750549 /nfs/dbraw/zinc/75/05/49/922750549.db2.gz ZXOLPUGPVAPVNY-DEOSSOPVSA-N 2 2 398.522 3.915 20 0 GHADLP C[NH+](C)CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1cccnc1 ZINC000903380532 922977797 /nfs/dbraw/zinc/97/77/97/922977797.db2.gz NFMLXXFCSUUVSY-RAFMOHDBSA-N 2 2 388.556 3.595 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090826 923104784 /nfs/dbraw/zinc/10/47/84/923104784.db2.gz GQSQPAMBPVQAJC-KXBFYZLASA-N 2 2 394.441 3.560 20 0 GHADLP C[N@H+]1CCC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090826 923104788 /nfs/dbraw/zinc/10/47/88/923104788.db2.gz GQSQPAMBPVQAJC-KXBFYZLASA-N 2 2 394.441 3.560 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090826 923104798 /nfs/dbraw/zinc/10/47/98/923104798.db2.gz GQSQPAMBPVQAJC-KXBFYZLASA-N 2 2 394.441 3.560 20 0 GHADLP C[N@H+]1CCC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090826 923104803 /nfs/dbraw/zinc/10/48/03/923104803.db2.gz GQSQPAMBPVQAJC-KXBFYZLASA-N 2 2 394.441 3.560 20 0 GHADLP Cc1cccc2nc(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)cn21 ZINC001137299259 924382480 /nfs/dbraw/zinc/38/24/80/924382480.db2.gz GADOXZAUJJZORO-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2nc(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)cn21 ZINC001137299259 924382486 /nfs/dbraw/zinc/38/24/86/924382486.db2.gz GADOXZAUJJZORO-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)cn21 ZINC001137299259 924382494 /nfs/dbraw/zinc/38/24/94/924382494.db2.gz GADOXZAUJJZORO-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)cn21 ZINC001137299259 924382505 /nfs/dbraw/zinc/38/25/05/924382505.db2.gz GADOXZAUJJZORO-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP Cn1c(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)nc2c1cccc2F ZINC000677748893 924477709 /nfs/dbraw/zinc/47/77/09/924477709.db2.gz BMRQJJFPZWNDDG-SFHVURJKSA-N 2 2 380.511 3.898 20 0 GHADLP Cn1c(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)nc2c1cccc2F ZINC000677748893 924477717 /nfs/dbraw/zinc/47/77/17/924477717.db2.gz BMRQJJFPZWNDDG-SFHVURJKSA-N 2 2 380.511 3.898 20 0 GHADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3c(OC(F)F)ccc4ccccc43)CC2)C1 ZINC000678258694 924692925 /nfs/dbraw/zinc/69/29/25/924692925.db2.gz JYQWFHXWTAWXQQ-SFHVURJKSA-N 2 2 389.490 3.653 20 0 GHADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3c(OC(F)F)ccc4ccccc43)CC2)C1 ZINC000678258694 924692930 /nfs/dbraw/zinc/69/29/30/924692930.db2.gz JYQWFHXWTAWXQQ-SFHVURJKSA-N 2 2 389.490 3.653 20 0 GHADLP c1ccc2c(c1)n[nH]c2C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001137346412 924897373 /nfs/dbraw/zinc/89/73/73/924897373.db2.gz WRHPLBWGVZCTQD-YKSBVNFPSA-N 2 2 394.563 3.523 20 0 GHADLP c1ccc2c(c1)n[nH]c2C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001137346412 924897380 /nfs/dbraw/zinc/89/73/80/924897380.db2.gz WRHPLBWGVZCTQD-YKSBVNFPSA-N 2 2 394.563 3.523 20 0 GHADLP c1ccc2c(c1)n[nH]c2C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001137346412 924897385 /nfs/dbraw/zinc/89/73/85/924897385.db2.gz WRHPLBWGVZCTQD-YKSBVNFPSA-N 2 2 394.563 3.523 20 0 GHADLP c1ccc2c(c1)n[nH]c2C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001137346412 924897391 /nfs/dbraw/zinc/89/73/91/924897391.db2.gz WRHPLBWGVZCTQD-YKSBVNFPSA-N 2 2 394.563 3.523 20 0 GHADLP CS[C@@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)C[C@H]1[NH+](C)C ZINC000409726877 924922346 /nfs/dbraw/zinc/92/23/46/924922346.db2.gz JGENNRMAHXPIEG-ZIAGYGMSSA-N 2 2 384.318 3.618 20 0 GHADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCC2 ZINC000678925323 924975540 /nfs/dbraw/zinc/97/55/40/924975540.db2.gz XTOBGEABNCQQFY-JOCHJYFZSA-N 2 2 384.495 3.704 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000680328085 925445333 /nfs/dbraw/zinc/44/53/33/925445333.db2.gz AFMRWINZBNNPSR-ZIAGYGMSSA-N 2 2 378.320 3.748 20 0 GHADLP CN(C(=O)NCC1CCC(C(C)(C)C)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681216480 925763977 /nfs/dbraw/zinc/76/39/77/925763977.db2.gz DMRDPIJLCJOCSY-GZNCHQMQSA-N 2 2 392.632 3.649 20 0 GHADLP CN(C(=O)NCC1CCC(C(C)(C)C)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681216480 925763979 /nfs/dbraw/zinc/76/39/79/925763979.db2.gz DMRDPIJLCJOCSY-GZNCHQMQSA-N 2 2 392.632 3.649 20 0 GHADLP C[C@H](CCC1CCCCC1)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218284 925764779 /nfs/dbraw/zinc/76/47/79/925764779.db2.gz JSWDZSYWHFRTDO-NQIIRXRSSA-N 2 2 378.605 3.545 20 0 GHADLP C[C@H](CCC1CCCCC1)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218284 925764786 /nfs/dbraw/zinc/76/47/86/925764786.db2.gz JSWDZSYWHFRTDO-NQIIRXRSSA-N 2 2 378.605 3.545 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000373104574 925863554 /nfs/dbraw/zinc/86/35/54/925863554.db2.gz PRKBHHSUIUJDQO-GOSISDBHSA-N 2 2 399.539 3.552 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)cn1 ZINC000373142141 925886626 /nfs/dbraw/zinc/88/66/26/925886626.db2.gz YPVGXEVVKKKQAQ-FQEVSTJZSA-N 2 2 377.448 3.909 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccc(OC)cc3)no2)[C@H](C)C1 ZINC000682535939 926156323 /nfs/dbraw/zinc/15/63/23/926156323.db2.gz MGDFHZNZTXJFFW-UTKZUKDTSA-N 2 2 387.524 3.577 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccc(OC)cc3)no2)[C@H](C)C1 ZINC000682535939 926156328 /nfs/dbraw/zinc/15/63/28/926156328.db2.gz MGDFHZNZTXJFFW-UTKZUKDTSA-N 2 2 387.524 3.577 20 0 GHADLP COc1cccc2c1CC[C@@H]([NH2+]C1CC([NH+]3CCC(C(F)(F)F)CC3)C1)C2 ZINC000373478235 926172974 /nfs/dbraw/zinc/17/29/74/926172974.db2.gz FFOIZVKIOUPOPM-WWDZGPRUSA-N 2 2 382.470 3.947 20 0 GHADLP CC[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1(C(=O)OC)CCC1 ZINC000373517585 926213326 /nfs/dbraw/zinc/21/33/26/926213326.db2.gz DIUQDHFQRFSMOC-UYSNPLJNSA-N 2 2 376.463 3.503 20 0 GHADLP Cc1ccc(-c2noc([C@@H](C)[NH2+]C3CCN(c4cccc[nH+]4)CC3)n2)cc1F ZINC000682999476 926323512 /nfs/dbraw/zinc/32/35/12/926323512.db2.gz JYDPVWUFQPLKTK-OAHLLOKOSA-N 2 2 381.455 3.899 20 0 GHADLP CCOC(=O)c1ccc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000411538695 926503903 /nfs/dbraw/zinc/50/39/03/926503903.db2.gz KZVUUKDCMVWSGK-ROUUACIJSA-N 2 2 381.520 3.505 20 0 GHADLP Cc1ccc(N2CC[C@@H]([NH2+][C@@H](Cn3cc[nH+]c3)c3ccc(C)cc3C)C2=O)cc1 ZINC000749605965 927210605 /nfs/dbraw/zinc/21/06/05/927210605.db2.gz RDFJBMVGZAWABH-PKTZIBPZSA-N 2 2 388.515 3.945 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)CCC2 ZINC000374576461 927302469 /nfs/dbraw/zinc/30/24/69/927302469.db2.gz PHZQOFPGBCDSNO-YJBOKZPZSA-N 2 2 388.943 3.749 20 0 GHADLP Cc1cc(C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)n1Cc1ccccc1 ZINC000751034065 927993130 /nfs/dbraw/zinc/99/31/30/927993130.db2.gz XGPUIMSANDHVNG-NRFANRHFSA-N 2 2 376.504 3.870 20 0 GHADLP Cc1cc(C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)n1Cc1ccccc1 ZINC000751034065 927993139 /nfs/dbraw/zinc/99/31/39/927993139.db2.gz XGPUIMSANDHVNG-NRFANRHFSA-N 2 2 376.504 3.870 20 0 GHADLP O[C@@H](CO[C@@H]1CCCc2ccccc21)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543989340 928654763 /nfs/dbraw/zinc/65/47/63/928654763.db2.gz DQPYTLCTCXVWGX-ISKFKSNPSA-N 2 2 397.563 3.830 20 0 GHADLP Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467142098 928750678 /nfs/dbraw/zinc/75/06/78/928750678.db2.gz NFNKGQCQCXPDRJ-UHFFFAOYSA-N 2 2 396.579 3.862 20 0 GHADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000544259700 928989151 /nfs/dbraw/zinc/98/91/51/928989151.db2.gz NHHDICLXLKZQDC-XMSQKQJNSA-N 2 2 392.547 3.796 20 0 GHADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000544259700 928989163 /nfs/dbraw/zinc/98/91/63/928989163.db2.gz NHHDICLXLKZQDC-XMSQKQJNSA-N 2 2 392.547 3.796 20 0 GHADLP CCS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)c1 ZINC000467422254 929055500 /nfs/dbraw/zinc/05/55/00/929055500.db2.gz ZNHBQCJDRUTEBL-LAUBAEHRSA-N 2 2 378.582 3.613 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](c3ccc(F)cc3)c3ccccn3)[nH+]c2)C1 ZINC000544384215 929113467 /nfs/dbraw/zinc/11/34/67/929113467.db2.gz HVUDRBWKPCJGEU-NFBKMPQASA-N 2 2 391.494 3.958 20 0 GHADLP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000469354435 929814579 /nfs/dbraw/zinc/81/45/79/929814579.db2.gz QQQAFVXFCSMEBV-XMMPIXPASA-N 2 2 391.559 3.776 20 0 GHADLP Cc1cccn2cc(Cc3noc(C4CC[NH+](Cc5ccccc5)CC4)n3)[nH+]c12 ZINC000546386133 930111253 /nfs/dbraw/zinc/11/12/53/930111253.db2.gz MTOFXZKIQGCCKG-UHFFFAOYSA-N 2 2 387.487 3.996 20 0 GHADLP C[C@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000469838667 930194567 /nfs/dbraw/zinc/19/45/67/930194567.db2.gz OIYJYJONPCWSNB-PMACEKPBSA-N 2 2 387.572 3.664 20 0 GHADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000470135030 930397969 /nfs/dbraw/zinc/39/79/69/930397969.db2.gz ULXIPRGQXGQEKW-OPYAIIAOSA-N 2 2 375.557 3.601 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000470541398 930698683 /nfs/dbraw/zinc/69/86/83/930698683.db2.gz HQCPQHLXCBKNAR-NRFANRHFSA-N 2 2 388.515 3.775 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000470541398 930698687 /nfs/dbraw/zinc/69/86/87/930698687.db2.gz HQCPQHLXCBKNAR-NRFANRHFSA-N 2 2 388.515 3.775 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2=O)cc1 ZINC000781518681 930876340 /nfs/dbraw/zinc/87/63/40/930876340.db2.gz RBDUDSXVWAJHKQ-LSWJPFSZSA-N 2 2 377.532 3.743 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2=O)cc1 ZINC000781518681 930876343 /nfs/dbraw/zinc/87/63/43/930876343.db2.gz RBDUDSXVWAJHKQ-LSWJPFSZSA-N 2 2 377.532 3.743 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccc(SC(F)F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000781632677 930917124 /nfs/dbraw/zinc/91/71/24/930917124.db2.gz VPPKMUGDMQYNGN-FQEVSTJZSA-N 2 2 378.488 3.728 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccc(SC(F)F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000781632677 930917132 /nfs/dbraw/zinc/91/71/32/930917132.db2.gz VPPKMUGDMQYNGN-FQEVSTJZSA-N 2 2 378.488 3.728 20 0 GHADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cs1 ZINC000547399755 930982302 /nfs/dbraw/zinc/98/23/02/930982302.db2.gz SOILZQHIQODGPR-WBVHZDCISA-N 2 2 378.611 3.967 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(C[C@@H]([NH2+]CCn2cc[nH+]c2)c2cccnc2)CC1 ZINC000924551787 931418538 /nfs/dbraw/zinc/41/85/38/931418538.db2.gz JPDTZYTYEMCLPV-HXUWFJFHSA-N 2 2 399.539 3.646 20 0 GHADLP OC1CC[NH+](CCC[NH2+][C@@H](Cc2ccc(F)cc2Cl)c2ccoc2)CC1 ZINC000924756934 931526329 /nfs/dbraw/zinc/52/63/29/931526329.db2.gz RAGXDKOIOKSFJT-FQEVSTJZSA-N 2 2 380.891 3.792 20 0 GHADLP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000557789613 931688495 /nfs/dbraw/zinc/68/84/95/931688495.db2.gz LGVHADSPIGOPFB-QFIPXVFZSA-N 2 2 380.536 3.706 20 0 GHADLP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000557789613 931688502 /nfs/dbraw/zinc/68/85/02/931688502.db2.gz LGVHADSPIGOPFB-QFIPXVFZSA-N 2 2 380.536 3.706 20 0 GHADLP Cc1ccc([C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2ccccn2)cc1 ZINC000925656286 931865638 /nfs/dbraw/zinc/86/56/38/931865638.db2.gz YIESHZYFJKVVDH-HSZRJFAPSA-N 2 2 376.504 3.605 20 0 GHADLP COc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(F)cn1 ZINC000558222931 931890150 /nfs/dbraw/zinc/89/01/50/931890150.db2.gz VHKFFIRQYLHJHR-BBWFWOEESA-N 2 2 387.499 3.689 20 0 GHADLP COc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(F)cn1 ZINC000558222931 931890155 /nfs/dbraw/zinc/89/01/55/931890155.db2.gz VHKFFIRQYLHJHR-BBWFWOEESA-N 2 2 387.499 3.689 20 0 GHADLP CC(C)c1ccc(C2(O)CCC([N@@H+]3CCc4sc(C[NH3+])nc4C3)CC2)cc1 ZINC000925749495 931892881 /nfs/dbraw/zinc/89/28/81/931892881.db2.gz XRFHAOLFRQBRIK-UHFFFAOYSA-N 2 2 385.577 3.914 20 0 GHADLP CC(C)c1ccc(C2(O)CCC([N@H+]3CCc4sc(C[NH3+])nc4C3)CC2)cc1 ZINC000925749495 931892888 /nfs/dbraw/zinc/89/28/88/931892888.db2.gz XRFHAOLFRQBRIK-UHFFFAOYSA-N 2 2 385.577 3.914 20 0 GHADLP COC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(Cl)c1F ZINC000558266706 931912257 /nfs/dbraw/zinc/91/22/57/931912257.db2.gz BQQHFFUJEJXNED-QAPCUYQASA-N 2 2 392.906 3.814 20 0 GHADLP CC(C)(O)C[N@@H+]1CCc2c(cccc2NCc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000784637332 931965653 /nfs/dbraw/zinc/96/56/53/931965653.db2.gz FKHGTCFXVIIBAO-UHFFFAOYSA-N 2 2 382.533 3.675 20 0 GHADLP CC(C)(O)C[N@H+]1CCc2c(cccc2NCc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000784637332 931965660 /nfs/dbraw/zinc/96/56/60/931965660.db2.gz FKHGTCFXVIIBAO-UHFFFAOYSA-N 2 2 382.533 3.675 20 0 GHADLP CN(C(=O)N[C@H]1CC2CCC1CC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000559158312 932472005 /nfs/dbraw/zinc/47/20/05/932472005.db2.gz ZFIBADPXANQYIH-GBJCSSAMSA-N 2 2 390.616 3.544 20 0 GHADLP CN(C(=O)N[C@H]1CC2CCC1CC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000559158312 932472008 /nfs/dbraw/zinc/47/20/08/932472008.db2.gz ZFIBADPXANQYIH-GBJCSSAMSA-N 2 2 390.616 3.544 20 0 GHADLP CCc1nc2c(s1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCN(C)CC3)c1)CCC2 ZINC001116289786 933460247 /nfs/dbraw/zinc/46/02/47/933460247.db2.gz WEZBLQLXEUQRIK-LJQANCHMSA-N 2 2 384.593 3.620 20 0 GHADLP O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001116396370 933533893 /nfs/dbraw/zinc/53/38/93/933533893.db2.gz AYRBSLWVRBGRPA-INIZCTEOSA-N 2 2 396.318 3.705 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC001116564582 933636257 /nfs/dbraw/zinc/63/62/57/933636257.db2.gz RHYDIDIUHSIFBR-UHFFFAOYSA-N 2 2 383.839 3.665 20 0 GHADLP COCCOc1ccccc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000561374269 934089134 /nfs/dbraw/zinc/08/91/34/934089134.db2.gz NVZNTRKURLQUFM-UHFFFAOYSA-N 2 2 386.511 3.648 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000930555806 934100224 /nfs/dbraw/zinc/10/02/24/934100224.db2.gz QPJNSSXKEGQALC-IBGZPJMESA-N 2 2 391.519 3.740 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000930555806 934100228 /nfs/dbraw/zinc/10/02/28/934100228.db2.gz QPJNSSXKEGQALC-IBGZPJMESA-N 2 2 391.519 3.740 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC(c3c[nH+]cn3C)CC2)cc1 ZINC001123407222 935184071 /nfs/dbraw/zinc/18/40/71/935184071.db2.gz XNCBUTMRIHZSQG-UHFFFAOYSA-N 2 2 399.539 3.552 20 0 GHADLP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)C[N@@H+]2C1 ZINC001123677168 935251127 /nfs/dbraw/zinc/25/11/27/935251127.db2.gz GDSZAFNBZTZWBS-QRQLOZEOSA-N 2 2 376.504 3.661 20 0 GHADLP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)C[N@H+]2C1 ZINC001123677168 935251130 /nfs/dbraw/zinc/25/11/30/935251130.db2.gz GDSZAFNBZTZWBS-QRQLOZEOSA-N 2 2 376.504 3.661 20 0 GHADLP Cn1nc(C(F)(F)F)c(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c1Cl ZINC001137948951 935886495 /nfs/dbraw/zinc/88/64/95/935886495.db2.gz SGWIDBJVJFNUJT-UHFFFAOYSA-N 2 2 378.870 3.646 20 0 GHADLP C[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001575510699 949123175 /nfs/dbraw/zinc/12/31/75/949123175.db2.gz GZYHJIHGZLSQOA-QAPCUYQASA-N 2 2 379.512 3.759 20 0 GHADLP C[C@H](c1cccc(-c2nn[nH]n2)c1)[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001575510699 949123190 /nfs/dbraw/zinc/12/31/90/949123190.db2.gz GZYHJIHGZLSQOA-QAPCUYQASA-N 2 2 379.512 3.759 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@H](Oc3n[nH]c4c3CC[NH+](Cc3ccccc3)C4)C2)cc1 ZINC001226703902 1032082627 /nfs/dbraw/zinc/08/26/27/1032082627.db2.gz GUDZGZIJJLZOIW-OAQYLSRUSA-N 2 2 388.515 3.621 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@H](Oc3n[nH]c4c3CC[NH+](Cc3ccccc3)C4)C2)cc1 ZINC001226703902 1032082641 /nfs/dbraw/zinc/08/26/41/1032082641.db2.gz GUDZGZIJJLZOIW-OAQYLSRUSA-N 2 2 388.515 3.621 20 0 GHADLP c1ccc(C[NH+]2CC[C@@H](Oc3n[nH]c4c3CC[N@H+](Cc3ccccc3)C4)C2)cc1 ZINC001226703902 1032082646 /nfs/dbraw/zinc/08/26/46/1032082646.db2.gz GUDZGZIJJLZOIW-OAQYLSRUSA-N 2 2 388.515 3.621 20 0 GHADLP c1ccc(C[NH+]2CC[C@@H](Oc3n[nH]c4c3CC[N@@H+](Cc3ccccc3)C4)C2)cc1 ZINC001226703902 1032082652 /nfs/dbraw/zinc/08/26/52/1032082652.db2.gz GUDZGZIJJLZOIW-OAQYLSRUSA-N 2 2 388.515 3.621 20 0 GHADLP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)c1 ZINC001625976322 1014607587 /nfs/dbraw/zinc/60/75/87/1014607587.db2.gz GWNBOYJTELEVOF-JOCHJYFZSA-N 2 2 399.510 3.759 20 0 GHADLP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)c1 ZINC001625976322 1014607591 /nfs/dbraw/zinc/60/75/91/1014607591.db2.gz GWNBOYJTELEVOF-JOCHJYFZSA-N 2 2 399.510 3.759 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000468559749 1015804915 /nfs/dbraw/zinc/80/49/15/1015804915.db2.gz JUBCUKLLQOXPNE-OXQOHEQNSA-N 2 2 388.353 3.887 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000468559749 1015804922 /nfs/dbraw/zinc/80/49/22/1015804922.db2.gz JUBCUKLLQOXPNE-OXQOHEQNSA-N 2 2 388.353 3.887 20 0 GHADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(Oc2cccc(Br)c2)cc1 ZINC000468618882 1015849658 /nfs/dbraw/zinc/84/96/58/1015849658.db2.gz MRZGTCQPTXJEMQ-IBGZPJMESA-N 2 2 393.325 3.644 20 0 GHADLP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc(Br)c1OC(F)F ZINC000469863985 1016649838 /nfs/dbraw/zinc/64/98/38/1016649838.db2.gz DPSYPVYMAFZTEI-PWSUYJOCSA-N 2 2 393.272 3.618 20 0 GHADLP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc(Br)c1OC(F)F ZINC000469863985 1016649840 /nfs/dbraw/zinc/64/98/40/1016649840.db2.gz DPSYPVYMAFZTEI-PWSUYJOCSA-N 2 2 393.272 3.618 20 0 GHADLP CC(=O)[C@H](Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C)c1ccccc1 ZINC001227164592 1032303203 /nfs/dbraw/zinc/30/32/03/1032303203.db2.gz KPLWIKRQJDEGEL-QHCPKHFHSA-N 3 2 397.563 3.581 20 0 GHADLP CC(=O)[C@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1C[NH+](C)C)c1ccccc1 ZINC001227164592 1032303212 /nfs/dbraw/zinc/30/32/12/1032303212.db2.gz KPLWIKRQJDEGEL-QHCPKHFHSA-N 2 2 397.563 3.581 20 0 GHADLP CC(C)(CNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)Cc1ccc(C(F)(F)F)cc1 ZINC001221166431 1032314432 /nfs/dbraw/zinc/31/44/32/1032314432.db2.gz GKYVXUWCJNFQQU-SFHVURJKSA-N 2 2 393.453 3.663 20 0 GHADLP C[C@@]1([NH2+]CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)CCCc2ccccc21 ZINC000559238497 1017405480 /nfs/dbraw/zinc/40/54/80/1017405480.db2.gz WJCOGKBEHCGVHQ-OAQYLSRUSA-N 2 2 384.549 3.519 20 0 GHADLP CCCC[C@H](CC)CCCN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001228043587 1032751097 /nfs/dbraw/zinc/75/10/97/1032751097.db2.gz PADPEBQYHQSXES-VQTJNVASSA-N 2 2 380.621 3.793 20 0 GHADLP CCCC[C@H](CC)CCCN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001228043587 1032751103 /nfs/dbraw/zinc/75/11/03/1032751103.db2.gz PADPEBQYHQSXES-VQTJNVASSA-N 2 2 380.621 3.793 20 0 GHADLP CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)[N@H+]3CCCn2cc[nH+]c2)n1 ZINC000932752546 1018634703 /nfs/dbraw/zinc/63/47/03/1018634703.db2.gz RUDXCXQYWYFNDO-QRTHJKPMSA-N 2 2 388.581 3.628 20 0 GHADLP CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3CCCn2cc[nH+]c2)n1 ZINC000932752546 1018634708 /nfs/dbraw/zinc/63/47/08/1018634708.db2.gz RUDXCXQYWYFNDO-QRTHJKPMSA-N 2 2 388.581 3.628 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000562905726 1018785962 /nfs/dbraw/zinc/78/59/62/1018785962.db2.gz VISGAYUXDZOIGU-HUUCEWRRSA-N 2 2 379.346 3.554 20 0 GHADLP O[C@@H]1CC2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)Oc2ccccc21 ZINC000933074587 1018834672 /nfs/dbraw/zinc/83/46/72/1018834672.db2.gz NQUSWYIHHDGVBF-OAQYLSRUSA-N 2 2 375.472 3.723 20 0 GHADLP COc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(C)c1OC ZINC000575837337 1019950578 /nfs/dbraw/zinc/95/05/78/1019950578.db2.gz WQWIWCGTFPSQKZ-UHFFFAOYSA-N 2 2 383.536 3.546 20 0 GHADLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(C)c1OC ZINC000575837337 1019950581 /nfs/dbraw/zinc/95/05/81/1019950581.db2.gz WQWIWCGTFPSQKZ-UHFFFAOYSA-N 2 2 383.536 3.546 20 0 GHADLP CCC[N@H+](CC(=O)N1c2ccccc2CCc2ccccc21)C1CC[NH2+]CC1 ZINC000577752605 1020284891 /nfs/dbraw/zinc/28/48/91/1020284891.db2.gz GQNVJPBKRYNGHD-UHFFFAOYSA-N 2 2 377.532 3.914 20 0 GHADLP CCC[N@@H+](CC(=O)N1c2ccccc2CCc2ccccc21)C1CC[NH2+]CC1 ZINC000577752605 1020284904 /nfs/dbraw/zinc/28/49/04/1020284904.db2.gz GQNVJPBKRYNGHD-UHFFFAOYSA-N 2 2 377.532 3.914 20 0 GHADLP Cc1nc(-c2ccccc2Cl)nc(NCC2([NH+](C)C)CC[NH+](C)CC2)c1C ZINC001156188291 1032915715 /nfs/dbraw/zinc/91/57/15/1032915715.db2.gz UNQRSSKVRDVSJL-UHFFFAOYSA-N 2 2 387.959 3.852 20 0 GHADLP CC(=O)N1CC[NH+](Cc2cccc(-c3ccc(Cn4cc[nH+]c4C)cc3)c2)CC1 ZINC000629761833 1020766959 /nfs/dbraw/zinc/76/69/59/1020766959.db2.gz LFIUCOJMDKAVLW-UHFFFAOYSA-N 2 2 388.515 3.571 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000630033323 1020793804 /nfs/dbraw/zinc/79/38/04/1020793804.db2.gz VPPIYWGLSKCDDZ-XXBNENTESA-N 2 2 377.532 3.511 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000630033323 1020793812 /nfs/dbraw/zinc/79/38/12/1020793812.db2.gz VPPIYWGLSKCDDZ-XXBNENTESA-N 2 2 377.532 3.511 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2c(Cl)ncnc2N(C)C)CC1 ZINC000801521452 1021403404 /nfs/dbraw/zinc/40/34/04/1021403404.db2.gz OGLYYHGICIIFPI-INIZCTEOSA-N 2 2 379.980 3.673 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2c(Cl)ncnc2N(C)C)CC1 ZINC000801521452 1021403410 /nfs/dbraw/zinc/40/34/10/1021403410.db2.gz OGLYYHGICIIFPI-INIZCTEOSA-N 2 2 379.980 3.673 20 0 GHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001156318779 1032983669 /nfs/dbraw/zinc/98/36/69/1032983669.db2.gz UNSDPBCYBBAOCG-LLQYXECUSA-N 2 2 391.515 3.899 20 0 GHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001156318779 1032983672 /nfs/dbraw/zinc/98/36/72/1032983672.db2.gz UNSDPBCYBBAOCG-LLQYXECUSA-N 2 2 391.515 3.899 20 0 GHADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnc3ccc(Br)cn23)CC1 ZINC001140374084 1021517298 /nfs/dbraw/zinc/51/72/98/1021517298.db2.gz VGWIFGXOOMKGHW-UHFFFAOYSA-N 2 2 379.346 3.793 20 0 GHADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc3ccc(Br)cn23)CC1 ZINC001140374084 1021517307 /nfs/dbraw/zinc/51/73/07/1021517307.db2.gz VGWIFGXOOMKGHW-UHFFFAOYSA-N 2 2 379.346 3.793 20 0 GHADLP CN(C(=O)Cc1cc2ccccc2o1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677289834 1021812197 /nfs/dbraw/zinc/81/21/97/1021812197.db2.gz FHGDMFLYDPFRGK-FCHUYYIVSA-N 2 2 397.563 3.771 20 0 GHADLP CN(C(=O)Cc1cc2ccccc2o1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677289834 1021812209 /nfs/dbraw/zinc/81/22/09/1021812209.db2.gz FHGDMFLYDPFRGK-FCHUYYIVSA-N 2 2 397.563 3.771 20 0 GHADLP C[NH+]1CCC2(C[NH+](Cc3cc(Br)ccc3Br)C2)CC1 ZINC001140634016 1022118639 /nfs/dbraw/zinc/11/86/39/1022118639.db2.gz ASZPTSCKQBDLRE-UHFFFAOYSA-N 2 2 388.147 3.739 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2ccc(-c3ccc[nH]3)cc2)([NH+]2CCCCC2)CC1 ZINC000680225237 1022119557 /nfs/dbraw/zinc/11/95/57/1022119557.db2.gz WSPMJRXZYKKIEJ-UHFFFAOYSA-N 2 2 395.551 3.754 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4cccc5ccncc54)CC3)C2)co1 ZINC001140641256 1022134225 /nfs/dbraw/zinc/13/42/25/1022134225.db2.gz FESOZAACCJBXDC-UHFFFAOYSA-N 2 2 377.488 3.695 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc5ccncc54)CC3)C2)co1 ZINC001140641256 1022134230 /nfs/dbraw/zinc/13/42/30/1022134230.db2.gz FESOZAACCJBXDC-UHFFFAOYSA-N 2 2 377.488 3.695 20 0 GHADLP C[NH+]1CCC2(C[NH+](Cc3ccc(Br)cc3C(F)(F)F)C2)CC1 ZINC001140777849 1022502548 /nfs/dbraw/zinc/50/25/48/1022502548.db2.gz VYHMWFANVVMUQD-UHFFFAOYSA-N 2 2 377.248 3.996 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cn2ncc3ccc(OCc4ccccc4)cc32)C1 ZINC000755790688 1023380359 /nfs/dbraw/zinc/38/03/59/1023380359.db2.gz QBVIFXHJMGNGHD-FQEVSTJZSA-N 2 2 387.487 3.796 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cn2ncc3ccc(OCc4ccccc4)cc32)C1 ZINC000755790688 1023380364 /nfs/dbraw/zinc/38/03/64/1023380364.db2.gz QBVIFXHJMGNGHD-FQEVSTJZSA-N 2 2 387.487 3.796 20 0 GHADLP CCCCc1[nH]c(C[NH+]2CCC3(CCOC[C@@H]3COCC3CC3)CC2)c[nH+]1 ZINC001141070824 1023423668 /nfs/dbraw/zinc/42/36/68/1023423668.db2.gz PZUYTDWZDPOUBL-LJQANCHMSA-N 2 2 375.557 3.798 20 0 GHADLP CN(C)C(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(C(C)(C)C)c3)CC2)CC1 ZINC001141103098 1023498933 /nfs/dbraw/zinc/49/89/33/1023498933.db2.gz CAABPMHYCVOINR-UHFFFAOYSA-N 2 2 385.596 3.749 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(C(F)(F)F)ccc1Cl)CC2 ZINC001138084118 1024028137 /nfs/dbraw/zinc/02/81/37/1024028137.db2.gz PNEOTAGGBHPMFQ-UHFFFAOYSA-N 2 2 375.822 3.989 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4ccc(C)cc4F)CC[C@@H]3C2)cs1 ZINC001141194908 1024086867 /nfs/dbraw/zinc/08/68/67/1024086867.db2.gz SHBAYESNPPYIRN-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4ccc(C)cc4F)CC[C@@H]3C2)cs1 ZINC001141194908 1024086877 /nfs/dbraw/zinc/08/68/77/1024086877.db2.gz SHBAYESNPPYIRN-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4ccc(C)cc4F)CC[C@@H]3C2)cs1 ZINC001141194908 1024086895 /nfs/dbraw/zinc/08/68/95/1024086895.db2.gz SHBAYESNPPYIRN-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4ccc(C)cc4F)CC[C@@H]3C2)cs1 ZINC001141194908 1024086913 /nfs/dbraw/zinc/08/69/13/1024086913.db2.gz SHBAYESNPPYIRN-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP Fc1ccc(-c2cccc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001141207216 1024130625 /nfs/dbraw/zinc/13/06/25/1024130625.db2.gz SSULJGGUHFXZOO-NHCUHLMSSA-N 2 2 388.490 3.847 20 0 GHADLP Cc1c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)[nH]c2ccccc12 ZINC001138398305 1024776663 /nfs/dbraw/zinc/77/66/63/1024776663.db2.gz UEZFRDJTKGDZRG-UHFFFAOYSA-N 2 2 379.504 3.936 20 0 GHADLP Cc1c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)[nH]c2ccccc12 ZINC001138398305 1024776675 /nfs/dbraw/zinc/77/66/75/1024776675.db2.gz UEZFRDJTKGDZRG-UHFFFAOYSA-N 2 2 379.504 3.936 20 0 GHADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(OC)c3cccc(OC)c23)CC1 ZINC001138752637 1025297125 /nfs/dbraw/zinc/29/71/25/1025297125.db2.gz OFNZBTQGQFAQEN-FQEVSTJZSA-N 2 2 398.547 3.932 20 0 GHADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(OC)c3cccc(OC)c23)CC1 ZINC001138752637 1025297140 /nfs/dbraw/zinc/29/71/40/1025297140.db2.gz OFNZBTQGQFAQEN-FQEVSTJZSA-N 2 2 398.547 3.932 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(Br)c(Br)o1 ZINC001138879574 1025514043 /nfs/dbraw/zinc/51/40/43/1025514043.db2.gz LFZHOYBACPXTKX-UHFFFAOYSA-N 2 2 377.080 3.523 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(Br)c(Br)o1 ZINC001138879574 1025514056 /nfs/dbraw/zinc/51/40/56/1025514056.db2.gz LFZHOYBACPXTKX-UHFFFAOYSA-N 2 2 377.080 3.523 20 0 GHADLP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001141601330 1025824465 /nfs/dbraw/zinc/82/44/65/1025824465.db2.gz KYCYDIJQHYAMHN-VQIMIIECSA-N 2 2 395.950 3.853 20 0 GHADLP CC(C)[N@H+]1CCC[C@@H](C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001141601330 1025824487 /nfs/dbraw/zinc/82/44/87/1025824487.db2.gz KYCYDIJQHYAMHN-VQIMIIECSA-N 2 2 395.950 3.853 20 0 GHADLP C[NH+](C)CC1CCC(Nc2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC001163298773 1026130020 /nfs/dbraw/zinc/13/00/20/1026130020.db2.gz HYTPWYCMXAXPCI-UHFFFAOYSA-N 2 2 379.552 3.567 20 0 GHADLP C[NH+](C)CC1CCC(Nc2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC001163298773 1026130031 /nfs/dbraw/zinc/13/00/31/1026130031.db2.gz HYTPWYCMXAXPCI-UHFFFAOYSA-N 2 2 379.552 3.567 20 0 GHADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839634434 1026138842 /nfs/dbraw/zinc/13/88/42/1026138842.db2.gz AFXLYCKAMODJBH-HSALFYBXSA-N 2 2 391.531 3.603 20 0 GHADLP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839634434 1026138850 /nfs/dbraw/zinc/13/88/50/1026138850.db2.gz AFXLYCKAMODJBH-HSALFYBXSA-N 2 2 391.531 3.603 20 0 GHADLP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839634434 1026138860 /nfs/dbraw/zinc/13/88/60/1026138860.db2.gz AFXLYCKAMODJBH-HSALFYBXSA-N 2 2 391.531 3.603 20 0 GHADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000839634434 1026138870 /nfs/dbraw/zinc/13/88/70/1026138870.db2.gz AFXLYCKAMODJBH-HSALFYBXSA-N 2 2 391.531 3.603 20 0 GHADLP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1ccc(C(F)(F)F)cc1 ZINC001139325599 1026184827 /nfs/dbraw/zinc/18/48/27/1026184827.db2.gz UEWWIUIKLNPDQS-UHFFFAOYSA-N 2 2 398.498 3.936 20 0 GHADLP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1ccc(C(F)(F)F)cc1 ZINC001139325599 1026184836 /nfs/dbraw/zinc/18/48/36/1026184836.db2.gz UEWWIUIKLNPDQS-UHFFFAOYSA-N 2 2 398.498 3.936 20 0 GHADLP COC(=O)c1ccc([C@@H]([NH3+])CNc2[nH+]c(N3CCCC3)cc3ccccc32)cc1 ZINC001163464783 1026203588 /nfs/dbraw/zinc/20/35/88/1026203588.db2.gz AOTBHQLLSDGWIE-FQEVSTJZSA-N 2 2 390.487 3.734 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001139356167 1026228176 /nfs/dbraw/zinc/22/81/76/1026228176.db2.gz GNHRPXWTSHYDCT-RTBURBONSA-N 2 2 382.508 3.561 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001139356167 1026228193 /nfs/dbraw/zinc/22/81/93/1026228193.db2.gz GNHRPXWTSHYDCT-RTBURBONSA-N 2 2 382.508 3.561 20 0 GHADLP C[NH+](C)C1(CNc2ccc(C(F)(F)F)c(C(F)(F)F)n2)CC[NH+](C)CC1 ZINC001164212061 1026454490 /nfs/dbraw/zinc/45/44/90/1026454490.db2.gz ZIFCVOHXQBTEHO-UHFFFAOYSA-N 2 2 384.368 3.557 20 0 GHADLP COc1cc2cc[nH+]c(N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)c2cc1OC ZINC001165081692 1026592653 /nfs/dbraw/zinc/59/26/53/1026592653.db2.gz BBMHKXBYMHJUNR-TZIWHRDSSA-N 2 2 389.499 3.963 20 0 GHADLP COc1cc2cc[nH+]c(N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)c2cc1OC ZINC001165081692 1026592656 /nfs/dbraw/zinc/59/26/56/1026592656.db2.gz BBMHKXBYMHJUNR-TZIWHRDSSA-N 2 2 389.499 3.963 20 0 GHADLP COc1ccc([C@@H](C)[N@H+](C)Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001139765104 1026602789 /nfs/dbraw/zinc/60/27/89/1026602789.db2.gz VSBAHDYEMUYQGD-LJQANCHMSA-N 2 2 384.520 3.599 20 0 GHADLP COc1ccc([C@@H](C)[N@@H+](C)Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001139765104 1026602793 /nfs/dbraw/zinc/60/27/93/1026602793.db2.gz VSBAHDYEMUYQGD-LJQANCHMSA-N 2 2 384.520 3.599 20 0 GHADLP Cc1[nH+]c2c(n1-c1nc(-c3ccc(Cl)s3)nc3c1CCC3)CC[NH2+]CC2 ZINC001165356298 1026712079 /nfs/dbraw/zinc/71/20/79/1026712079.db2.gz MQMKWDGOEOQGOT-UHFFFAOYSA-N 2 2 385.924 3.530 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2c[nH]c3nccc(Br)c23)C1 ZINC001139945854 1026751282 /nfs/dbraw/zinc/75/12/82/1026751282.db2.gz KYZNQFJCYZHHES-AWEZNQCLSA-N 2 2 387.281 3.682 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2c[nH]c3nccc(Br)c23)C1 ZINC001139945854 1026751298 /nfs/dbraw/zinc/75/12/98/1026751298.db2.gz KYZNQFJCYZHHES-AWEZNQCLSA-N 2 2 387.281 3.682 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1c[nH]c3cccc(Br)c13)CC2 ZINC001139964923 1026767129 /nfs/dbraw/zinc/76/71/29/1026767129.db2.gz UNXMXVCUPKADTC-UHFFFAOYSA-N 2 2 391.313 3.560 20 0 GHADLP Cc1cc(N2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(C(C)(C)C)[nH+]1 ZINC001165901799 1026865001 /nfs/dbraw/zinc/86/50/01/1026865001.db2.gz FGIZBGOIRKDGOJ-AABGKKOBSA-N 2 2 396.583 3.657 20 0 GHADLP Cc1cc(N2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C(C)(C)C)[nH+]1 ZINC001165901799 1026865016 /nfs/dbraw/zinc/86/50/16/1026865016.db2.gz FGIZBGOIRKDGOJ-AABGKKOBSA-N 2 2 396.583 3.657 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1C[N@H+]2Cc1c[nH+]ccc1N ZINC001209732614 1027126285 /nfs/dbraw/zinc/12/62/85/1027126285.db2.gz AFEAPAULYPTVHF-UHFFFAOYSA-N 2 2 394.519 3.736 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1C[N@@H+]2Cc1c[nH+]ccc1N ZINC001209732614 1027126292 /nfs/dbraw/zinc/12/62/92/1027126292.db2.gz AFEAPAULYPTVHF-UHFFFAOYSA-N 2 2 394.519 3.736 20 0 GHADLP CC[NH+](CC)Cc1ccc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c(C)n2)cc1 ZINC001209821825 1027221623 /nfs/dbraw/zinc/22/16/23/1027221623.db2.gz BFYPNLGAALBHPR-IAGOWNOFSA-N 2 2 383.540 3.984 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CC[C@@H](O)COCc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001203295832 1027265288 /nfs/dbraw/zinc/26/52/88/1027265288.db2.gz YAZDCHVNQLWVHW-DHIUTWEWSA-N 2 2 382.548 3.597 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CC[C@@H](O)COCc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001203295832 1027265305 /nfs/dbraw/zinc/26/53/05/1027265305.db2.gz YAZDCHVNQLWVHW-DHIUTWEWSA-N 2 2 382.548 3.597 20 0 GHADLP Clc1cccc(Cl)c1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001203417189 1027324826 /nfs/dbraw/zinc/32/48/26/1027324826.db2.gz RNNFRTJUBBYIBX-UHFFFAOYSA-N 2 2 379.335 3.844 20 0 GHADLP Cc1ccccc1C(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001461223887 1069450132 /nfs/dbraw/zinc/45/01/32/1069450132.db2.gz QTKKYSQLVMCTCN-HSZRJFAPSA-N 2 2 391.559 3.854 20 0 GHADLP Cc1ccccc1C(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001461223887 1069450141 /nfs/dbraw/zinc/45/01/41/1069450141.db2.gz QTKKYSQLVMCTCN-HSZRJFAPSA-N 2 2 391.559 3.854 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(OC)c(C)c3C)CC2)C1 ZINC001203715462 1027549714 /nfs/dbraw/zinc/54/97/14/1027549714.db2.gz IINCXUBJAWQRGJ-HXUWFJFHSA-N 2 2 388.552 3.552 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(OC)c(C)c3C)CC2)C1 ZINC001203715462 1027549725 /nfs/dbraw/zinc/54/97/25/1027549725.db2.gz IINCXUBJAWQRGJ-HXUWFJFHSA-N 2 2 388.552 3.552 20 0 GHADLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccc(Br)c3)C2)C1 ZINC001203765119 1027586914 /nfs/dbraw/zinc/58/69/14/1027586914.db2.gz KGHGLZHDTCIPLW-UYAOXDASSA-N 2 2 393.369 3.629 20 0 GHADLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccc(Br)c3)C2)C1 ZINC001203765119 1027586929 /nfs/dbraw/zinc/58/69/29/1027586929.db2.gz KGHGLZHDTCIPLW-UYAOXDASSA-N 2 2 393.369 3.629 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cccc(Br)c3)C2)C1 ZINC001203765119 1027586943 /nfs/dbraw/zinc/58/69/43/1027586943.db2.gz KGHGLZHDTCIPLW-UYAOXDASSA-N 2 2 393.369 3.629 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cccc(Br)c3)C2)C1 ZINC001203765119 1027586960 /nfs/dbraw/zinc/58/69/60/1027586960.db2.gz KGHGLZHDTCIPLW-UYAOXDASSA-N 2 2 393.369 3.629 20 0 GHADLP c1cn(Cc2nnn3c2C[N@H+](Cc2ccccc2-c2ccccc2)CCC3)c[nH+]1 ZINC001142335040 1028716368 /nfs/dbraw/zinc/71/63/68/1028716368.db2.gz RCZBLFTYNQGNCZ-UHFFFAOYSA-N 2 2 384.487 3.596 20 0 GHADLP c1cn(Cc2nnn3c2C[N@@H+](Cc2ccccc2-c2ccccc2)CCC3)c[nH+]1 ZINC001142335040 1028716384 /nfs/dbraw/zinc/71/63/84/1028716384.db2.gz RCZBLFTYNQGNCZ-UHFFFAOYSA-N 2 2 384.487 3.596 20 0 GHADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001142622426 1029166832 /nfs/dbraw/zinc/16/68/32/1029166832.db2.gz DPQCCEXXRRJZIA-LEWJYISDSA-N 2 2 375.532 3.561 20 0 GHADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001142622426 1029166838 /nfs/dbraw/zinc/16/68/38/1029166838.db2.gz DPQCCEXXRRJZIA-LEWJYISDSA-N 2 2 375.532 3.561 20 0 GHADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001142622426 1029166845 /nfs/dbraw/zinc/16/68/45/1029166845.db2.gz DPQCCEXXRRJZIA-LEWJYISDSA-N 2 2 375.532 3.561 20 0 GHADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001142622426 1029166849 /nfs/dbraw/zinc/16/68/49/1029166849.db2.gz DPQCCEXXRRJZIA-LEWJYISDSA-N 2 2 375.532 3.561 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]CCCCNc3cccc[nH+]3)C[C@@H]2C1 ZINC000842674729 1029479935 /nfs/dbraw/zinc/47/99/35/1029479935.db2.gz AFXPGFFSXVHXQK-OTWHNJEPSA-N 2 2 388.556 3.899 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)C[C@H]2C1 ZINC000842702001 1029511868 /nfs/dbraw/zinc/51/18/68/1029511868.db2.gz FGZZAWWIYHGVAA-JPLJXNOCSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)C[C@H]2C1 ZINC000842702001 1029511878 /nfs/dbraw/zinc/51/18/78/1029511878.db2.gz FGZZAWWIYHGVAA-JPLJXNOCSA-N 2 2 377.573 3.629 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)CC2)cc1 ZINC000842762309 1029571392 /nfs/dbraw/zinc/57/13/92/1029571392.db2.gz CHZDEDWRJOQLAB-BWKNWUBXSA-N 3 2 392.591 3.656 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)CC2)cc1 ZINC000842762309 1029571403 /nfs/dbraw/zinc/57/14/03/1029571403.db2.gz CHZDEDWRJOQLAB-BWKNWUBXSA-N 3 2 392.591 3.656 20 0 GHADLP CCCCCCOc1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000843118862 1029815552 /nfs/dbraw/zinc/81/55/52/1029815552.db2.gz PNWBRUUIFMCRSY-UHFFFAOYSA-N 2 2 397.567 3.720 20 0 GHADLP CC[NH+](CC)[C@H](c1nc(C2CC[NH2+]CC2)no1)c1cccc(C(F)(F)F)c1 ZINC000843139846 1029823189 /nfs/dbraw/zinc/82/31/89/1029823189.db2.gz YBYYDNFLVLQCTP-INIZCTEOSA-N 2 2 382.430 3.987 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)cc(Br)c1OC ZINC001222307708 1030062662 /nfs/dbraw/zinc/06/26/62/1030062662.db2.gz ADGHIALTPQBGQE-GOSISDBHSA-N 2 2 383.330 3.574 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc(Br)c1OC ZINC001222307708 1030062678 /nfs/dbraw/zinc/06/26/78/1030062678.db2.gz ADGHIALTPQBGQE-GOSISDBHSA-N 2 2 383.330 3.574 20 0 GHADLP CSc1ncc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c(NC2CCCC2)n1 ZINC001222308001 1030062916 /nfs/dbraw/zinc/06/29/16/1030062916.db2.gz DZSZMKKVQMYIEG-FQEVSTJZSA-N 2 2 375.586 3.661 20 0 GHADLP CSc1ncc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(NC2CCCC2)n1 ZINC001222308001 1030062933 /nfs/dbraw/zinc/06/29/33/1030062933.db2.gz DZSZMKKVQMYIEG-FQEVSTJZSA-N 2 2 375.586 3.661 20 0 GHADLP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000129474005 1030094286 /nfs/dbraw/zinc/09/42/86/1030094286.db2.gz SHXACCYPVUIHLJ-UHFFFAOYSA-N 2 2 391.515 3.660 20 0 GHADLP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC000129474005 1030094301 /nfs/dbraw/zinc/09/43/01/1030094301.db2.gz SHXACCYPVUIHLJ-UHFFFAOYSA-N 2 2 391.515 3.660 20 0 GHADLP C[NH+](CC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)Cc1ccccc1 ZINC000129474005 1030094318 /nfs/dbraw/zinc/09/43/18/1030094318.db2.gz SHXACCYPVUIHLJ-UHFFFAOYSA-N 2 2 391.515 3.660 20 0 GHADLP C[NH+](CC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)Cc1ccccc1 ZINC000129474005 1030094338 /nfs/dbraw/zinc/09/43/38/1030094338.db2.gz SHXACCYPVUIHLJ-UHFFFAOYSA-N 2 2 391.515 3.660 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)NCCn2c[nH+]cc2-c2ccccc2)cc1 ZINC001149856584 1030327718 /nfs/dbraw/zinc/32/77/18/1030327718.db2.gz SXHALSCBSAWQDM-UHFFFAOYSA-N 2 2 376.504 3.822 20 0 GHADLP Cc1csc(N2CCC([NH2+][C@H](Cc3[nH+]ccn3C)c3ccccc3)CC2)n1 ZINC001461658730 1069663336 /nfs/dbraw/zinc/66/33/36/1069663336.db2.gz XOWPQIGVIONDOF-LJQANCHMSA-N 2 2 381.549 3.727 20 0 GHADLP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC001151734217 1030986565 /nfs/dbraw/zinc/98/65/65/1030986565.db2.gz XFUWOYHRKWPOGR-DSKINZAPSA-N 2 2 388.600 3.616 20 0 GHADLP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC001151734217 1030986572 /nfs/dbraw/zinc/98/65/72/1030986572.db2.gz XFUWOYHRKWPOGR-DSKINZAPSA-N 2 2 388.600 3.616 20 0 GHADLP CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)cc1 ZINC001152198016 1031141625 /nfs/dbraw/zinc/14/16/25/1031141625.db2.gz QYSFJTJLGQOTFA-UHFFFAOYSA-N 2 2 376.504 3.590 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)C12CCC([NH3+])(CC1)CC2)c1ccc(Cl)cc1Cl ZINC001220532516 1031979500 /nfs/dbraw/zinc/97/95/00/1031979500.db2.gz HYWGLZGYKXQJNE-IPJUCJBFSA-N 2 2 384.351 3.764 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001205650003 1033511801 /nfs/dbraw/zinc/51/18/01/1033511801.db2.gz ANWVQEPCHHTDBA-NQIIRXRSSA-N 2 2 399.579 3.942 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001205650003 1033511808 /nfs/dbraw/zinc/51/18/08/1033511808.db2.gz ANWVQEPCHHTDBA-NQIIRXRSSA-N 2 2 399.579 3.942 20 0 GHADLP COc1ccc(-c2ccc(F)cc2OC)cc1C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205795286 1033577529 /nfs/dbraw/zinc/57/75/29/1033577529.db2.gz FQOOBEPJEWAQGS-MRXNPFEDSA-N 2 2 394.437 3.926 20 0 GHADLP COc1ccc(-c2ccc(F)cc2OC)cc1C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205795286 1033577545 /nfs/dbraw/zinc/57/75/45/1033577545.db2.gz FQOOBEPJEWAQGS-MRXNPFEDSA-N 2 2 394.437 3.926 20 0 GHADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3cc(-c4ccc(Cl)cc4)sc32)CC1 ZINC001157916208 1033823052 /nfs/dbraw/zinc/82/30/52/1033823052.db2.gz ODROZRRMUBEAEI-UHFFFAOYSA-N 2 2 386.912 3.606 20 0 GHADLP O=C(c1ccccc1F)C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001206735161 1033963884 /nfs/dbraw/zinc/96/38/84/1033963884.db2.gz PCYLJPQTPXIQCJ-UHFFFAOYSA-N 2 2 396.506 3.753 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001208234465 1034823983 /nfs/dbraw/zinc/82/39/83/1034823983.db2.gz HZPKADPYJWMPHM-RTBURBONSA-N 2 2 389.540 3.880 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001208234465 1034823996 /nfs/dbraw/zinc/82/39/96/1034823996.db2.gz HZPKADPYJWMPHM-RTBURBONSA-N 2 2 389.540 3.880 20 0 GHADLP C[NH+](C)CCOc1ccc(Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)cc1 ZINC001160350963 1034951011 /nfs/dbraw/zinc/95/10/11/1034951011.db2.gz WCMZKARXDWNHTM-HXUWFJFHSA-N 2 2 391.462 3.747 20 0 GHADLP Cc1ccc([C@@H](C(=O)N(C)CCCc2ccccc2)[NH+]2CCC([NH3+])CC2)cc1 ZINC001160448330 1034977359 /nfs/dbraw/zinc/97/73/59/1034977359.db2.gz DQUJOYHMIKAZMV-QHCPKHFHSA-N 2 2 379.548 3.550 20 0 GHADLP COc1ccc(CC[NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)cc1OC ZINC001208757898 1035003966 /nfs/dbraw/zinc/00/39/66/1035003966.db2.gz JSRLQJJOAUNYRS-UHFFFAOYSA-N 2 2 386.511 3.982 20 0 GHADLP COc1ccc(CC[NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)cc1OC ZINC001208757898 1035003977 /nfs/dbraw/zinc/00/39/77/1035003977.db2.gz JSRLQJJOAUNYRS-UHFFFAOYSA-N 2 2 386.511 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208930781 1035095128 /nfs/dbraw/zinc/09/51/28/1035095128.db2.gz DSEONVYKNFHZGY-NRFANRHFSA-N 2 2 399.579 3.841 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208930781 1035095135 /nfs/dbraw/zinc/09/51/35/1035095135.db2.gz DSEONVYKNFHZGY-NRFANRHFSA-N 2 2 399.579 3.841 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[NH+](C[C@H]4CCC[N@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208935764 1035101902 /nfs/dbraw/zinc/10/19/02/1035101902.db2.gz LJWBAMCPFDVKQK-KKUQBAQOSA-N 3 2 389.587 3.962 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[NH+](C[C@H]4CCC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208935764 1035101905 /nfs/dbraw/zinc/10/19/05/1035101905.db2.gz LJWBAMCPFDVKQK-KKUQBAQOSA-N 3 2 389.587 3.962 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](C[C@H]4CCC[NH+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208935764 1035101909 /nfs/dbraw/zinc/10/19/09/1035101909.db2.gz LJWBAMCPFDVKQK-KKUQBAQOSA-N 3 2 389.587 3.962 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](C[C@H]4CCC[NH+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208935764 1035101913 /nfs/dbraw/zinc/10/19/13/1035101913.db2.gz LJWBAMCPFDVKQK-KKUQBAQOSA-N 3 2 389.587 3.962 20 0 GHADLP FC1(F)CN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@H]1[NH+]1CCCC1 ZINC001208948266 1035118948 /nfs/dbraw/zinc/11/89/48/1035118948.db2.gz PFOXYGHJAXFXMQ-NHCUHLMSSA-N 2 2 377.523 3.704 20 0 GHADLP FC1(F)CN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@H]1[NH+]1CCCC1 ZINC001208948266 1035118952 /nfs/dbraw/zinc/11/89/52/1035118952.db2.gz PFOXYGHJAXFXMQ-NHCUHLMSSA-N 2 2 377.523 3.704 20 0 GHADLP COc1ccc(F)cc1C[NH+]1CCC(Nc2[nH+]ccc(C)c2NC(C)=O)CC1 ZINC001161152481 1035160825 /nfs/dbraw/zinc/16/08/25/1035160825.db2.gz AXQJZFJYGSELMM-UHFFFAOYSA-N 2 2 386.471 3.573 20 0 GHADLP Brc1ccc2c(C3C[NH+](CCc4ccc5c(c4)CCO5)C3)[nH+]cn2c1 ZINC001209148236 1035193533 /nfs/dbraw/zinc/19/35/33/1035193533.db2.gz DPDVVDSLVFRMQM-UHFFFAOYSA-N 2 2 398.304 3.674 20 0 GHADLP CN1CC[NH+](C2CCN(c3ccc(Nc4cccc5[nH+]c[nH]c54)cc3)CC2)CC1 ZINC001213032829 1035232254 /nfs/dbraw/zinc/23/22/54/1035232254.db2.gz ZQHIXCHJWPFLCH-UHFFFAOYSA-N 2 2 390.535 3.523 20 0 GHADLP CCOC(=O)/C=C/c1ccc[nH+]c1N[C@@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001161820997 1035309034 /nfs/dbraw/zinc/30/90/34/1035309034.db2.gz RXGIGBAZRHANBQ-MHNQQFQPSA-N 2 2 383.467 3.950 20 0 GHADLP Fc1ccc(Cl)c(Cl)c1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001278339492 1035785663 /nfs/dbraw/zinc/78/56/63/1035785663.db2.gz FXCDIOIZWLTPAT-UHFFFAOYSA-N 2 2 383.298 3.954 20 0 GHADLP COc1c(Br)cc(F)cc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001243237890 1036074103 /nfs/dbraw/zinc/07/41/03/1036074103.db2.gz POJYHHSLWNVLEW-OAHLLOKOSA-N 2 2 379.273 3.797 20 0 GHADLP COc1c(Br)cc(F)cc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001243237890 1036074122 /nfs/dbraw/zinc/07/41/22/1036074122.db2.gz POJYHHSLWNVLEW-OAHLLOKOSA-N 2 2 379.273 3.797 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cc2)C1 ZINC001243406974 1036139410 /nfs/dbraw/zinc/13/94/10/1036139410.db2.gz DODLYGRFUOODCU-JOCHJYFZSA-N 2 2 381.495 3.652 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cc2)C1 ZINC001243406974 1036139415 /nfs/dbraw/zinc/13/94/15/1036139415.db2.gz DODLYGRFUOODCU-JOCHJYFZSA-N 2 2 381.495 3.652 20 0 GHADLP O[C@H](C[NH2+]C1(c2cccc(Cl)c2)CC[NH2+]CC1)COc1ccc(Cl)cc1 ZINC001246007031 1037124679 /nfs/dbraw/zinc/12/46/79/1037124679.db2.gz NTFBQTJGUHDCRE-GOSISDBHSA-N 2 2 395.330 3.602 20 0 GHADLP O[C@@H](COc1cccc2ccccc21)C[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001246057695 1037171434 /nfs/dbraw/zinc/17/14/34/1037171434.db2.gz CCRISDYPVLMDNM-OAQYLSRUSA-N 2 2 388.511 3.674 20 0 GHADLP COc1ccc2cc(CC[C@@H](C)[NH2+]C[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)ccc2c1 ZINC001246149354 1037216304 /nfs/dbraw/zinc/21/63/04/1037216304.db2.gz UUPYEXJCHKOUPZ-XMSQKQJNSA-N 3 2 381.564 3.633 20 0 GHADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246206621 1037239237 /nfs/dbraw/zinc/23/92/37/1037239237.db2.gz JJDNKMJSLKFLBK-LRDDRELGSA-N 2 2 375.340 3.963 20 0 GHADLP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246241422 1037250858 /nfs/dbraw/zinc/25/08/58/1037250858.db2.gz MIVCQTJNECOZAM-BBRMVZONSA-N 2 2 390.446 3.555 20 0 GHADLP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC)cc2Br)C[C@H](CC)[NH2+]1 ZINC001246357094 1037314962 /nfs/dbraw/zinc/31/49/62/1037314962.db2.gz VSPVITXTKYTDED-ZSHCYNCHSA-N 2 2 383.330 3.635 20 0 GHADLP CC(C)[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246390089 1037349509 /nfs/dbraw/zinc/34/95/09/1037349509.db2.gz SPVSAHHZPWTTQP-MJGOQNOKSA-N 3 2 383.502 3.736 20 0 GHADLP COc1cc(NC(=O)C[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)cc2ccccc21 ZINC001246481437 1037428307 /nfs/dbraw/zinc/42/83/07/1037428307.db2.gz IJTCXNODGREZRW-SFHVURJKSA-N 2 2 381.520 3.831 20 0 GHADLP FC1(F)C[NH2+]CC[C@H]1CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246487787 1037434617 /nfs/dbraw/zinc/43/46/17/1037434617.db2.gz MJPDROQKMILNKN-BURNTYAHSA-N 3 2 377.523 3.797 20 0 GHADLP FC1(F)C[NH2+]CC[C@H]1CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246487787 1037434635 /nfs/dbraw/zinc/43/46/35/1037434635.db2.gz MJPDROQKMILNKN-BURNTYAHSA-N 3 2 377.523 3.797 20 0 GHADLP c1ccc(C[NH+]2CCC([N@@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)cc1 ZINC001246683232 1037545430 /nfs/dbraw/zinc/54/54/30/1037545430.db2.gz HTRCOKDPZGZHLB-RPBOFIJWSA-N 3 2 375.560 3.730 20 0 GHADLP c1ccc(C[NH+]2CCC([N@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)cc1 ZINC001246683232 1037545442 /nfs/dbraw/zinc/54/54/42/1037545442.db2.gz HTRCOKDPZGZHLB-RPBOFIJWSA-N 3 2 375.560 3.730 20 0 GHADLP CC[C@@H]1CC([NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)C[C@@H](CC)[NH2+]1 ZINC001246704042 1037558173 /nfs/dbraw/zinc/55/81/73/1037558173.db2.gz UBYUZYBAIGURSX-RTBURBONSA-N 3 2 391.625 3.724 20 0 GHADLP CC[C@@H]1CC([NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)C[C@@H](CC)[NH2+]1 ZINC001246704042 1037558176 /nfs/dbraw/zinc/55/81/76/1037558176.db2.gz UBYUZYBAIGURSX-RTBURBONSA-N 3 2 391.625 3.724 20 0 GHADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4CC[NH2+][C@H](Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246707362 1037558749 /nfs/dbraw/zinc/55/87/49/1037558749.db2.gz GLNRCIXIGSJYBV-XDZVQPMWSA-N 3 2 389.587 3.722 20 0 GHADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H]4CC[NH2+][C@H](Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246707362 1037558771 /nfs/dbraw/zinc/55/87/71/1037558771.db2.gz GLNRCIXIGSJYBV-XDZVQPMWSA-N 3 2 389.587 3.722 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@@H]4CC[NH2+][C@H](Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246707362 1037558795 /nfs/dbraw/zinc/55/87/95/1037558795.db2.gz GLNRCIXIGSJYBV-XDZVQPMWSA-N 3 2 389.587 3.722 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H]4CC[NH2+][C@H](Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246707362 1037558814 /nfs/dbraw/zinc/55/88/14/1037558814.db2.gz GLNRCIXIGSJYBV-XDZVQPMWSA-N 3 2 389.587 3.722 20 0 GHADLP O=C1N(Cc2ccccc2)c2ccccc2C12CC[NH+]([C@@H]1CCCC[NH2+]C1)CC2 ZINC001246709865 1037560658 /nfs/dbraw/zinc/56/06/58/1037560658.db2.gz LGZPBAGPQBQLST-OAQYLSRUSA-N 2 2 389.543 3.709 20 0 GHADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(I)s1 ZINC001462196984 1070073322 /nfs/dbraw/zinc/07/33/22/1070073322.db2.gz HEKWDUWNDITRPI-UHFFFAOYSA-N 2 2 378.323 3.661 20 0 GHADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(I)s1 ZINC001462196984 1070073341 /nfs/dbraw/zinc/07/33/41/1070073341.db2.gz HEKWDUWNDITRPI-UHFFFAOYSA-N 2 2 378.323 3.661 20 0 GHADLP c1cc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2CC[NH2+][C@@H](Cc4ccccc4)C2)CC3)co1 ZINC001246749270 1037589138 /nfs/dbraw/zinc/58/91/38/1037589138.db2.gz BVNZKBFPRVHJDF-BJKOFHAPSA-N 3 2 393.575 3.931 20 0 GHADLP c1cc(C[N@@H+]2CCC3(C2)CC[NH+]([C@@H]2CC[NH2+][C@@H](Cc4ccccc4)C2)CC3)co1 ZINC001246749270 1037589152 /nfs/dbraw/zinc/58/91/52/1037589152.db2.gz BVNZKBFPRVHJDF-BJKOFHAPSA-N 3 2 393.575 3.931 20 0 GHADLP CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246759091 1037601395 /nfs/dbraw/zinc/60/13/95/1037601395.db2.gz PZAXICVWPSAKMO-VXKWHMMOSA-N 3 2 385.596 3.520 20 0 GHADLP CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246759091 1037601409 /nfs/dbraw/zinc/60/14/09/1037601409.db2.gz PZAXICVWPSAKMO-VXKWHMMOSA-N 3 2 385.596 3.520 20 0 GHADLP CCCC[C@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246761023 1037604518 /nfs/dbraw/zinc/60/45/18/1037604518.db2.gz YFRDEZQZQFLLMG-GOTSBHOMSA-N 3 2 385.596 3.664 20 0 GHADLP CCCC[C@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246761023 1037604528 /nfs/dbraw/zinc/60/45/28/1037604528.db2.gz YFRDEZQZQFLLMG-GOTSBHOMSA-N 3 2 385.596 3.664 20 0 GHADLP Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CC[NH+]([C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246763027 1037607838 /nfs/dbraw/zinc/60/78/38/1037607838.db2.gz AZLXCMUQJDDREO-MOPGFXCFSA-N 2 2 393.531 3.723 20 0 GHADLP c1ccc2c(c1)N=C(N1CC[NH+]([C@@H]3CCC[NH2+]CC3)CC1)c1ccccc1S2 ZINC001246788955 1037627977 /nfs/dbraw/zinc/62/79/77/1037627977.db2.gz AEYJSZHLJXKJML-GOSISDBHSA-N 2 2 392.572 3.989 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH+]2CCN(c3cc(Cl)ccn3)CC2)CC[NH2+]1 ZINC001246813600 1037647691 /nfs/dbraw/zinc/64/76/91/1037647691.db2.gz KJRDTBYSSVJLOA-AZUAARDMSA-N 2 2 388.918 3.798 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001462205386 1070080532 /nfs/dbraw/zinc/08/05/32/1070080532.db2.gz WZGMDMRACVHMMQ-LPHOPBHVSA-N 2 2 379.976 3.787 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001462205386 1070080550 /nfs/dbraw/zinc/08/05/50/1070080550.db2.gz WZGMDMRACVHMMQ-LPHOPBHVSA-N 2 2 379.976 3.787 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[N@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246935181 1037737110 /nfs/dbraw/zinc/73/71/10/1037737110.db2.gz JYFPZCBIOBIQNY-VGSWGCGISA-N 2 2 384.495 3.798 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[N@@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246935181 1037737131 /nfs/dbraw/zinc/73/71/31/1037737131.db2.gz JYFPZCBIOBIQNY-VGSWGCGISA-N 2 2 384.495 3.798 20 0 GHADLP COC(=O)c1ccc(C2C[NH+]([C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)cc1 ZINC001246950820 1037753723 /nfs/dbraw/zinc/75/37/23/1037753723.db2.gz XTUDFSZOINAONT-IFMALSPDSA-N 2 2 382.479 3.813 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@H]([N@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246953378 1037760305 /nfs/dbraw/zinc/76/03/05/1037760305.db2.gz BNTLTNRYIARKDM-KXBFYZLASA-N 2 2 380.479 3.641 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246953378 1037760332 /nfs/dbraw/zinc/76/03/32/1037760332.db2.gz BNTLTNRYIARKDM-KXBFYZLASA-N 2 2 380.479 3.641 20 0 GHADLP COC(=O)[C@]12CC[NH2+][C@@H]1C[N@@H+]([C@@H](C)CC(c1ccccc1)c1ccccc1)CC2 ZINC001246985241 1037809047 /nfs/dbraw/zinc/80/90/47/1037809047.db2.gz HNGFVJSTTPOINW-CYSDGLOUSA-N 2 2 392.543 3.824 20 0 GHADLP COC(=O)[C@]12CC[NH2+][C@@H]1C[N@H+]([C@@H](C)CC(c1ccccc1)c1ccccc1)CC2 ZINC001246985241 1037809075 /nfs/dbraw/zinc/80/90/75/1037809075.db2.gz HNGFVJSTTPOINW-CYSDGLOUSA-N 2 2 392.543 3.824 20 0 GHADLP Clc1ccccc1N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001247006345 1037828887 /nfs/dbraw/zinc/82/88/87/1037828887.db2.gz IRSFFGVMNDUJKE-ANULTFPQSA-N 2 2 381.951 3.966 20 0 GHADLP Clc1ccccc1N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001247006345 1037828890 /nfs/dbraw/zinc/82/88/90/1037828890.db2.gz IRSFFGVMNDUJKE-ANULTFPQSA-N 2 2 381.951 3.966 20 0 GHADLP c1cn2c([nH+]1)C1(CC[NH2+]CC1)[C@H](c1nc(-c3ccc4sccc4c3)no1)C2 ZINC001247126726 1037936330 /nfs/dbraw/zinc/93/63/30/1037936330.db2.gz NEQMSSFWUGMUIM-HNNXBMFYSA-N 2 2 377.473 3.566 20 0 GHADLP Fc1cc(-c2noc([C@H]3[NH2+]C4CCC3CC4)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247633645 1038284298 /nfs/dbraw/zinc/28/42/98/1038284298.db2.gz KSNAKOGQTABQSQ-BQLUNGBYSA-N 2 2 379.439 3.811 20 0 GHADLP c1cn(-c2ccccc2-c2noc([C@@H]3C[C@@H](OCc4ccccc4)C[NH2+]3)n2)c[nH+]1 ZINC001247671838 1038307341 /nfs/dbraw/zinc/30/73/41/1038307341.db2.gz VAFRIMYIZLZEGW-MJGOQNOKSA-N 2 2 387.443 3.542 20 0 GHADLP COc1cc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)ccc1-n1cnc(C)c1 ZINC001232561576 1038331577 /nfs/dbraw/zinc/33/15/77/1038331577.db2.gz DLNBGOJQVGWLDY-UHFFFAOYSA-N 2 2 386.515 3.588 20 0 GHADLP FC(F)(F)[C@H]1CC[C@H](c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)[NH2+]C1 ZINC001247763495 1038369336 /nfs/dbraw/zinc/36/93/36/1038369336.db2.gz VSYNWRDIQHTCLJ-PFYGFVOHSA-N 2 2 393.413 3.801 20 0 GHADLP Cc1c(Cl)nccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001232750539 1038534703 /nfs/dbraw/zinc/53/47/03/1038534703.db2.gz GADYAAZQPRIBDL-AABGKKOBSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1c(Cl)nccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001232750539 1038534713 /nfs/dbraw/zinc/53/47/13/1038534713.db2.gz GADYAAZQPRIBDL-AABGKKOBSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1c(Cl)nccc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001232750539 1038534718 /nfs/dbraw/zinc/53/47/18/1038534718.db2.gz GADYAAZQPRIBDL-AABGKKOBSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1c(Cl)nccc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001232750539 1038534726 /nfs/dbraw/zinc/53/47/26/1038534726.db2.gz GADYAAZQPRIBDL-AABGKKOBSA-N 2 2 387.959 3.613 20 0 GHADLP FC(F)(F)c1cccc(-n2cc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cn2)c1 ZINC001233042707 1038800420 /nfs/dbraw/zinc/80/04/20/1038800420.db2.gz YAZHQTMBFUHEPB-LJQANCHMSA-N 2 2 388.393 3.939 20 0 GHADLP FC(F)(F)c1cccc(-n2cc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cn2)c1 ZINC001233042707 1038800445 /nfs/dbraw/zinc/80/04/45/1038800445.db2.gz YAZHQTMBFUHEPB-LJQANCHMSA-N 2 2 388.393 3.939 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3[nH]nc4cc(F)ccc43)C[C@H]21 ZINC001233124722 1038910878 /nfs/dbraw/zinc/91/08/78/1038910878.db2.gz OMLKRPLGXLKIFF-AYPBNUJASA-N 2 2 393.510 3.830 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3[nH]nc4cc(F)ccc43)C[C@H]21 ZINC001233124722 1038910881 /nfs/dbraw/zinc/91/08/81/1038910881.db2.gz OMLKRPLGXLKIFF-AYPBNUJASA-N 2 2 393.510 3.830 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3[nH]nc4cc(F)ccc43)C[C@H]21 ZINC001233124722 1038910889 /nfs/dbraw/zinc/91/08/89/1038910889.db2.gz OMLKRPLGXLKIFF-AYPBNUJASA-N 2 2 393.510 3.830 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3[nH]nc4cc(F)ccc43)C[C@H]21 ZINC001233124722 1038910894 /nfs/dbraw/zinc/91/08/94/1038910894.db2.gz OMLKRPLGXLKIFF-AYPBNUJASA-N 2 2 393.510 3.830 20 0 GHADLP Oc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1OCC1CC1 ZINC001233224883 1038984765 /nfs/dbraw/zinc/98/47/65/1038984765.db2.gz DALXOLIXUJYQEA-RTBURBONSA-N 2 2 384.545 3.806 20 0 GHADLP CCOC(=O)c1ccnc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)c1 ZINC001233326067 1039119234 /nfs/dbraw/zinc/11/92/34/1039119234.db2.gz NOLUFFVWGVVKSD-VABKMULXSA-N 2 2 393.531 3.869 20 0 GHADLP CCOC(=O)c1ccnc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)c1 ZINC001233326067 1039119241 /nfs/dbraw/zinc/11/92/41/1039119241.db2.gz NOLUFFVWGVVKSD-VABKMULXSA-N 2 2 393.531 3.869 20 0 GHADLP CCOC(=O)c1ccnc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)c1 ZINC001233326067 1039119247 /nfs/dbraw/zinc/11/92/47/1039119247.db2.gz NOLUFFVWGVVKSD-VABKMULXSA-N 2 2 393.531 3.869 20 0 GHADLP CCOC(=O)c1ccnc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)c1 ZINC001233326067 1039119257 /nfs/dbraw/zinc/11/92/57/1039119257.db2.gz NOLUFFVWGVVKSD-VABKMULXSA-N 2 2 393.531 3.869 20 0 GHADLP O[C@]1(C[N@H+](Cc2ccccn2)C2CCCCC2)CC[NH+](Cc2ccccc2)C1 ZINC001252932833 1039270037 /nfs/dbraw/zinc/27/00/37/1039270037.db2.gz YGYLWJMFLLRCHU-XMMPIXPASA-N 2 2 379.548 3.853 20 0 GHADLP O[C@]1(C[N@@H+](Cc2ccccn2)C2CCCCC2)CC[NH+](Cc2ccccc2)C1 ZINC001252932833 1039270046 /nfs/dbraw/zinc/27/00/46/1039270046.db2.gz YGYLWJMFLLRCHU-XMMPIXPASA-N 2 2 379.548 3.853 20 0 GHADLP O[C@]1(C[NH+](Cc2ccccn2)C2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252932833 1039270056 /nfs/dbraw/zinc/27/00/56/1039270056.db2.gz YGYLWJMFLLRCHU-XMMPIXPASA-N 2 2 379.548 3.853 20 0 GHADLP O[C@]1(C[NH+](Cc2ccccn2)C2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252932833 1039270067 /nfs/dbraw/zinc/27/00/67/1039270067.db2.gz YGYLWJMFLLRCHU-XMMPIXPASA-N 2 2 379.548 3.853 20 0 GHADLP O[C@@]1(C[NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948052 1039291770 /nfs/dbraw/zinc/29/17/70/1039291770.db2.gz IZPHROCWMJUHTM-DNQXCXABSA-N 2 2 398.522 3.520 20 0 GHADLP O[C@@]1(C[NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948052 1039291780 /nfs/dbraw/zinc/29/17/80/1039291780.db2.gz IZPHROCWMJUHTM-DNQXCXABSA-N 2 2 398.522 3.520 20 0 GHADLP COc1cccc(-c2nnc(-c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)o2)c1 ZINC001253363270 1039575484 /nfs/dbraw/zinc/57/54/84/1039575484.db2.gz OUBNVSFADYATTM-UHFFFAOYSA-N 2 2 380.492 3.796 20 0 GHADLP COc1cccc(-c2nnc(-c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)o2)c1 ZINC001253363270 1039575493 /nfs/dbraw/zinc/57/54/93/1039575493.db2.gz OUBNVSFADYATTM-UHFFFAOYSA-N 2 2 380.492 3.796 20 0 GHADLP CCC[C@H](CCc1ccccc1)[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001254492444 1040276255 /nfs/dbraw/zinc/27/62/55/1040276255.db2.gz HELNYVXJPQQBBG-OAQYLSRUSA-N 2 2 377.536 3.788 20 0 GHADLP CCC[C@H](CCc1ccccc1)[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001254492444 1040276265 /nfs/dbraw/zinc/27/62/65/1040276265.db2.gz HELNYVXJPQQBBG-OAQYLSRUSA-N 2 2 377.536 3.788 20 0 GHADLP Fc1ccc(N2CCC([N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)CC2)cc1 ZINC001254624799 1040398681 /nfs/dbraw/zinc/39/86/81/1040398681.db2.gz BECUYRHUAXAOFU-RTWAWAEBSA-N 2 2 394.538 3.643 20 0 GHADLP Fc1ccc(N2CCC([N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)CC2)cc1 ZINC001254624799 1040398690 /nfs/dbraw/zinc/39/86/90/1040398690.db2.gz BECUYRHUAXAOFU-RTWAWAEBSA-N 2 2 394.538 3.643 20 0 GHADLP Fc1ccc(N2CCC([NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)CC2)cc1 ZINC001254624799 1040398698 /nfs/dbraw/zinc/39/86/98/1040398698.db2.gz BECUYRHUAXAOFU-RTWAWAEBSA-N 2 2 394.538 3.643 20 0 GHADLP Fc1ccc(N2CCC([NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)CC2)cc1 ZINC001254624799 1040398708 /nfs/dbraw/zinc/39/87/08/1040398708.db2.gz BECUYRHUAXAOFU-RTWAWAEBSA-N 2 2 394.538 3.643 20 0 GHADLP CCOC(OCC)c1ccc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)cc1 ZINC001234906609 1040423268 /nfs/dbraw/zinc/42/32/68/1040423268.db2.gz QKCNYXHXBQFPIT-UHFFFAOYSA-N 2 2 390.568 3.833 20 0 GHADLP CCOC(=O)c1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c[nH]1 ZINC001234950352 1040454791 /nfs/dbraw/zinc/45/47/91/1040454791.db2.gz NYVPKMMQPFNXDQ-HSZRJFAPSA-N 2 2 381.520 3.680 20 0 GHADLP CCOC(=O)c1cc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c[nH]1 ZINC001234950352 1040454804 /nfs/dbraw/zinc/45/48/04/1040454804.db2.gz NYVPKMMQPFNXDQ-HSZRJFAPSA-N 2 2 381.520 3.680 20 0 GHADLP CCOC(=O)c1cc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c[nH]1 ZINC001234950352 1040454810 /nfs/dbraw/zinc/45/48/10/1040454810.db2.gz NYVPKMMQPFNXDQ-HSZRJFAPSA-N 2 2 381.520 3.680 20 0 GHADLP CCOC(=O)c1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c[nH]1 ZINC001234950352 1040454821 /nfs/dbraw/zinc/45/48/21/1040454821.db2.gz NYVPKMMQPFNXDQ-HSZRJFAPSA-N 2 2 381.520 3.680 20 0 GHADLP OCC[C@H]1CC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)c(Br)c1)CC2 ZINC001235027935 1040521092 /nfs/dbraw/zinc/52/10/92/1040521092.db2.gz OQPDQXADLBOOFF-INIZCTEOSA-N 2 2 390.325 3.619 20 0 GHADLP CC(C)[N@H+](C)[C@@H]1CCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)C1 ZINC001235039928 1040533581 /nfs/dbraw/zinc/53/35/81/1040533581.db2.gz ROXJUUMJGSYMKN-MRXNPFEDSA-N 2 2 377.330 3.549 20 0 GHADLP CC(C)[N@@H+](C)[C@@H]1CCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)C1 ZINC001235039928 1040533607 /nfs/dbraw/zinc/53/36/07/1040533607.db2.gz ROXJUUMJGSYMKN-MRXNPFEDSA-N 2 2 377.330 3.549 20 0 GHADLP Cc1cc(Br)c(C[NH+]2CC3(C2)CC[NH2+]CC3)c(Br)c1 ZINC001235092419 1040580934 /nfs/dbraw/zinc/58/09/34/1040580934.db2.gz JLBWXBLLLBDSBN-UHFFFAOYSA-N 2 2 388.147 3.705 20 0 GHADLP FC(F)(F)Oc1ccc(-c2cccc(C[NH+]3CCC4(CC[NH2+]4)CC3)n2)cc1 ZINC001235111250 1040595381 /nfs/dbraw/zinc/59/53/81/1040595381.db2.gz QQLPGGPSCDVHNE-UHFFFAOYSA-N 2 2 377.410 3.975 20 0 GHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254914072 1040664424 /nfs/dbraw/zinc/66/44/24/1040664424.db2.gz VUGNPJSBKOVUPJ-KXTWHKPSSA-N 2 2 396.535 3.950 20 0 GHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254914072 1040664430 /nfs/dbraw/zinc/66/44/30/1040664430.db2.gz VUGNPJSBKOVUPJ-KXTWHKPSSA-N 2 2 396.535 3.950 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC001254987924 1040709873 /nfs/dbraw/zinc/70/98/73/1040709873.db2.gz XYEQLJNDLIIKGR-CADBVGFASA-N 2 2 387.524 3.631 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC001254987924 1040709882 /nfs/dbraw/zinc/70/98/82/1040709882.db2.gz XYEQLJNDLIIKGR-CADBVGFASA-N 2 2 387.524 3.631 20 0 GHADLP Clc1cc2c(cc1C[N@@H+]1CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C1)OCO2 ZINC001235361243 1040846777 /nfs/dbraw/zinc/84/67/77/1040846777.db2.gz DKSMXOIERPZRPC-GCJKJVERSA-N 2 2 384.907 3.822 20 0 GHADLP Clc1cc2c(cc1C[N@H+]1CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C1)OCO2 ZINC001235361243 1040846796 /nfs/dbraw/zinc/84/67/96/1040846796.db2.gz DKSMXOIERPZRPC-GCJKJVERSA-N 2 2 384.907 3.822 20 0 GHADLP Clc1ccc2c(C[N@@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)c[nH]c2n1 ZINC001235364889 1040855751 /nfs/dbraw/zinc/85/57/51/1040855751.db2.gz ABXROJXYJXVYTN-AVRDEDQJSA-N 2 2 380.923 3.970 20 0 GHADLP Clc1ccc2c(C[N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)c[nH]c2n1 ZINC001235364889 1040855761 /nfs/dbraw/zinc/85/57/61/1040855761.db2.gz ABXROJXYJXVYTN-AVRDEDQJSA-N 2 2 380.923 3.970 20 0 GHADLP CC(C)Sc1nccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)n1 ZINC001235379073 1040895917 /nfs/dbraw/zinc/89/59/17/1040895917.db2.gz GEIRAWXLVAKNCE-SIKLNZKXSA-N 2 2 382.577 3.730 20 0 GHADLP CC(C)Sc1nccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)n1 ZINC001235379073 1040895931 /nfs/dbraw/zinc/89/59/31/1040895931.db2.gz GEIRAWXLVAKNCE-SIKLNZKXSA-N 2 2 382.577 3.730 20 0 GHADLP Cc1cc(Br)c(Cl)cc1C[N@@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235404087 1040917178 /nfs/dbraw/zinc/91/71/78/1040917178.db2.gz MIZAVCDPUZZPIW-CHWSQXEVSA-N 2 2 375.713 3.920 20 0 GHADLP Cc1cc(Br)c(Cl)cc1C[N@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235404087 1040917179 /nfs/dbraw/zinc/91/71/79/1040917179.db2.gz MIZAVCDPUZZPIW-CHWSQXEVSA-N 2 2 375.713 3.920 20 0 GHADLP Brc1ccc2c(c1)[nH]nc2C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431129 1040932565 /nfs/dbraw/zinc/93/25/65/1040932565.db2.gz VBKAIGABGSZMKW-UONOGXRCSA-N 2 2 377.330 3.537 20 0 GHADLP Brc1ccc2c(c1)[nH]nc2C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431129 1040932576 /nfs/dbraw/zinc/93/25/76/1040932576.db2.gz VBKAIGABGSZMKW-UONOGXRCSA-N 2 2 377.330 3.537 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H](F)[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255382553 1040972799 /nfs/dbraw/zinc/97/27/99/1040972799.db2.gz VWVKIWSWFAVPHO-VAMGGRTRSA-N 2 2 391.531 3.588 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H](F)[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255382553 1040972805 /nfs/dbraw/zinc/97/28/05/1040972805.db2.gz VWVKIWSWFAVPHO-VAMGGRTRSA-N 2 2 391.531 3.588 20 0 GHADLP C[C@@H]1C[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001255398599 1040984840 /nfs/dbraw/zinc/98/48/40/1040984840.db2.gz LCGLBNLJXXJVHU-CTNGQTDRSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001255398599 1040984842 /nfs/dbraw/zinc/98/48/42/1040984842.db2.gz LCGLBNLJXXJVHU-CTNGQTDRSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001255398599 1040984843 /nfs/dbraw/zinc/98/48/43/1040984843.db2.gz LCGLBNLJXXJVHU-CTNGQTDRSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001255398599 1040984857 /nfs/dbraw/zinc/98/48/57/1040984857.db2.gz LCGLBNLJXXJVHU-CTNGQTDRSA-N 2 2 387.568 3.982 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCN4CCc5ccccc5[C@H]4C3)CC2)cc1 ZINC001255409531 1040998363 /nfs/dbraw/zinc/99/83/63/1040998363.db2.gz ZTIDESJOJYQOFW-ILBGXUMGSA-N 2 2 375.560 3.956 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCN4CCc5ccccc5[C@H]4C3)CC2)cc1 ZINC001255409531 1040998370 /nfs/dbraw/zinc/99/83/70/1040998370.db2.gz ZTIDESJOJYQOFW-ILBGXUMGSA-N 2 2 375.560 3.956 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CCN4CCc5ccccc5[C@H]4C3)CC2)cc1 ZINC001255409531 1040998376 /nfs/dbraw/zinc/99/83/76/1040998376.db2.gz ZTIDESJOJYQOFW-ILBGXUMGSA-N 2 2 375.560 3.956 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CCN4CCc5ccccc5[C@H]4C3)CC2)cc1 ZINC001255409531 1040998383 /nfs/dbraw/zinc/99/83/83/1040998383.db2.gz ZTIDESJOJYQOFW-ILBGXUMGSA-N 2 2 375.560 3.956 20 0 GHADLP CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)c2ccccc21 ZINC001235615477 1041038542 /nfs/dbraw/zinc/03/85/42/1041038542.db2.gz MATYMTLHSOYNGV-NHCUHLMSSA-N 2 2 397.607 3.908 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC001235773326 1041262131 /nfs/dbraw/zinc/26/21/31/1041262131.db2.gz NMHZUPRUGQGPKG-MRXNPFEDSA-N 2 2 379.570 3.615 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC001235773326 1041262147 /nfs/dbraw/zinc/26/21/47/1041262147.db2.gz NMHZUPRUGQGPKG-MRXNPFEDSA-N 2 2 379.570 3.615 20 0 GHADLP CC1([NH+]2CCN(Cc3cc(Cl)c(Cl)c(Cl)c3)CC2)CC[NH2+]CC1 ZINC001235823366 1041340708 /nfs/dbraw/zinc/34/07/08/1041340708.db2.gz XGKZCNPBZBYFIC-UHFFFAOYSA-N 2 2 376.759 3.907 20 0 GHADLP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cc(Br)ccc1OC(F)(F)F)C2 ZINC001235960789 1041469884 /nfs/dbraw/zinc/46/98/84/1041469884.db2.gz ZRDGLXVJNDXNGQ-WDAIWFPHSA-N 2 2 379.220 3.517 20 0 GHADLP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cc(Br)ccc1OC(F)(F)F)C2 ZINC001235960789 1041469896 /nfs/dbraw/zinc/46/98/96/1041469896.db2.gz ZRDGLXVJNDXNGQ-WDAIWFPHSA-N 2 2 379.220 3.517 20 0 GHADLP Brc1cccc2[nH]cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c21 ZINC001236010270 1041502128 /nfs/dbraw/zinc/50/21/28/1041502128.db2.gz QPODVPJDRZBCCY-UTKZUKDTSA-N 2 2 396.332 3.903 20 0 GHADLP Brc1cccc2[nH]cc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c21 ZINC001236010270 1041502140 /nfs/dbraw/zinc/50/21/40/1041502140.db2.gz QPODVPJDRZBCCY-UTKZUKDTSA-N 2 2 396.332 3.903 20 0 GHADLP Brc1ccccc1CCC[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236013110 1041506060 /nfs/dbraw/zinc/50/60/60/1041506060.db2.gz XIMVCOLQONUGTQ-CTNGQTDRSA-N 2 2 385.349 3.855 20 0 GHADLP Brc1ccccc1CCC[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236013110 1041506074 /nfs/dbraw/zinc/50/60/74/1041506074.db2.gz XIMVCOLQONUGTQ-CTNGQTDRSA-N 2 2 385.349 3.855 20 0 GHADLP Brc1cccc2c1C[C@@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)CC2 ZINC001256140174 1041579443 /nfs/dbraw/zinc/57/94/43/1041579443.db2.gz HXWCJGQQFMSCOJ-KRWDZBQOSA-N 2 2 386.337 3.960 20 0 GHADLP C[C@@H](Cc1cccc(Br)c1)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001256187275 1041631844 /nfs/dbraw/zinc/63/18/44/1041631844.db2.gz NMOMJRVBDTZVEZ-AWEZNQCLSA-N 2 2 380.330 3.510 20 0 GHADLP C[NH+]1CCC([N@@H+]2Cc3ccccc3C23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001256217018 1041654083 /nfs/dbraw/zinc/65/40/83/1041654083.db2.gz XBNOYENBIURCKE-UHFFFAOYSA-N 2 2 385.552 3.823 20 0 GHADLP C[NH+]1CCC([N@H+]2Cc3ccccc3C23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001256217018 1041654093 /nfs/dbraw/zinc/65/40/93/1041654093.db2.gz XBNOYENBIURCKE-UHFFFAOYSA-N 2 2 385.552 3.823 20 0 GHADLP Oc1cc(Br)cc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001236300977 1041664615 /nfs/dbraw/zinc/66/46/15/1041664615.db2.gz SNESXQBAYBPNPF-UHFFFAOYSA-N 2 2 375.310 3.909 20 0 GHADLP Oc1cc(Br)cc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001236300977 1041664621 /nfs/dbraw/zinc/66/46/21/1041664621.db2.gz SNESXQBAYBPNPF-UHFFFAOYSA-N 2 2 375.310 3.909 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236300684 1041665272 /nfs/dbraw/zinc/66/52/72/1041665272.db2.gz VZKDEBTULZYWBD-UHFFFAOYSA-N 2 2 377.488 3.709 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236300684 1041665277 /nfs/dbraw/zinc/66/52/77/1041665277.db2.gz VZKDEBTULZYWBD-UHFFFAOYSA-N 2 2 377.488 3.709 20 0 GHADLP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])[C@H](C(F)(F)F)C3)c2)cc1 ZINC001236353189 1041679794 /nfs/dbraw/zinc/67/97/94/1041679794.db2.gz FVHSETMQWMNHJM-MOPGFXCFSA-N 2 2 392.421 3.852 20 0 GHADLP COC(=O)c1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])[C@H](C(F)(F)F)C3)c2)cc1 ZINC001236353189 1041679802 /nfs/dbraw/zinc/67/98/02/1041679802.db2.gz FVHSETMQWMNHJM-MOPGFXCFSA-N 2 2 392.421 3.852 20 0 GHADLP Clc1ccc(N2CCC([NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)CC2)cc1 ZINC001256309870 1041696345 /nfs/dbraw/zinc/69/63/45/1041696345.db2.gz KBINPJXOGPQUKO-OALUTQOASA-N 2 2 396.966 3.768 20 0 GHADLP CC(C)N(C)c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)cn1 ZINC001462564037 1070369321 /nfs/dbraw/zinc/36/93/21/1070369321.db2.gz JSKOIQLXOZJWLV-VWNXMTODSA-N 2 2 378.564 3.880 20 0 GHADLP CC(C)N(C)c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)cn1 ZINC001462564037 1070369342 /nfs/dbraw/zinc/36/93/42/1070369342.db2.gz JSKOIQLXOZJWLV-VWNXMTODSA-N 2 2 378.564 3.880 20 0 GHADLP CC(C)N(C)c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)cn1 ZINC001462564037 1070369363 /nfs/dbraw/zinc/36/93/63/1070369363.db2.gz JSKOIQLXOZJWLV-VWNXMTODSA-N 2 2 378.564 3.880 20 0 GHADLP COc1ccc2[nH]nc(C[N@H+](Cc3ccccc3F)[C@H]3CC[C@H]([NH3+])CC3)c2c1 ZINC001236536170 1041755684 /nfs/dbraw/zinc/75/56/84/1041755684.db2.gz BUNSJOYLUQYHSB-QAQDUYKDSA-N 2 2 382.483 3.983 20 0 GHADLP COc1ccc2[nH]nc(C[N@@H+](Cc3ccccc3F)[C@H]3CC[C@H]([NH3+])CC3)c2c1 ZINC001236536170 1041755689 /nfs/dbraw/zinc/75/56/89/1041755689.db2.gz BUNSJOYLUQYHSB-QAQDUYKDSA-N 2 2 382.483 3.983 20 0 GHADLP CC(C)N(C)c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)cn1 ZINC001462564037 1070369300 /nfs/dbraw/zinc/36/93/00/1070369300.db2.gz JSKOIQLXOZJWLV-VWNXMTODSA-N 2 2 378.564 3.880 20 0 GHADLP COc1cc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cc(OC)c1Br ZINC001236654213 1041805200 /nfs/dbraw/zinc/80/52/00/1041805200.db2.gz NTSFBZFFMBUCHC-MRXNPFEDSA-N 2 2 397.357 3.963 20 0 GHADLP COc1cc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cc(OC)c1Br ZINC001236654213 1041805204 /nfs/dbraw/zinc/80/52/04/1041805204.db2.gz NTSFBZFFMBUCHC-MRXNPFEDSA-N 2 2 397.357 3.963 20 0 GHADLP Ic1csc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236653051 1041805240 /nfs/dbraw/zinc/80/52/40/1041805240.db2.gz IQNWDSBAWXPUAA-AWEZNQCLSA-N 2 2 390.334 3.849 20 0 GHADLP Ic1csc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236653051 1041805245 /nfs/dbraw/zinc/80/52/45/1041805245.db2.gz IQNWDSBAWXPUAA-AWEZNQCLSA-N 2 2 390.334 3.849 20 0 GHADLP COC(=O)c1cc(Br)cc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236654616 1041806309 /nfs/dbraw/zinc/80/63/09/1041806309.db2.gz QGLKELZSYZRWGN-GOSISDBHSA-N 2 2 395.341 3.732 20 0 GHADLP COC(=O)c1cc(Br)cc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236654616 1041806313 /nfs/dbraw/zinc/80/63/13/1041806313.db2.gz QGLKELZSYZRWGN-GOSISDBHSA-N 2 2 395.341 3.732 20 0 GHADLP COC(=O)c1cc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)ccc1Br ZINC001236664475 1041812284 /nfs/dbraw/zinc/81/22/84/1041812284.db2.gz TYQXCDBJYGQKEV-MRXNPFEDSA-N 2 2 395.341 3.732 20 0 GHADLP COC(=O)c1cc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)ccc1Br ZINC001236664475 1041812287 /nfs/dbraw/zinc/81/22/87/1041812287.db2.gz TYQXCDBJYGQKEV-MRXNPFEDSA-N 2 2 395.341 3.732 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4cccc5occc54)CC[C@@H]3C2)cs1 ZINC001236742461 1041868854 /nfs/dbraw/zinc/86/88/54/1041868854.db2.gz DLHCDEUUHQBIBY-XMSQKQJNSA-N 2 2 397.544 3.921 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4cccc5occc54)CC[C@@H]3C2)cs1 ZINC001236742461 1041868865 /nfs/dbraw/zinc/86/88/65/1041868865.db2.gz DLHCDEUUHQBIBY-XMSQKQJNSA-N 2 2 397.544 3.921 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4cccc5occc54)CC[C@@H]3C2)cs1 ZINC001236742461 1041868872 /nfs/dbraw/zinc/86/88/72/1041868872.db2.gz DLHCDEUUHQBIBY-XMSQKQJNSA-N 2 2 397.544 3.921 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4cccc5occc54)CC[C@@H]3C2)cs1 ZINC001236742461 1041868875 /nfs/dbraw/zinc/86/88/75/1041868875.db2.gz DLHCDEUUHQBIBY-XMSQKQJNSA-N 2 2 397.544 3.921 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236901722 1041946987 /nfs/dbraw/zinc/94/69/87/1041946987.db2.gz BYVRWHBYHDLGRB-UHFFFAOYSA-N 2 2 398.942 3.578 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236901722 1041946992 /nfs/dbraw/zinc/94/69/92/1041946992.db2.gz BYVRWHBYHDLGRB-UHFFFAOYSA-N 2 2 398.942 3.578 20 0 GHADLP COc1cccnc1O[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236910541 1041952476 /nfs/dbraw/zinc/95/24/76/1041952476.db2.gz QWXIHLCFHSPOEH-MRXNPFEDSA-N 2 2 384.867 3.583 20 0 GHADLP COc1cccnc1O[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236910541 1041952477 /nfs/dbraw/zinc/95/24/77/1041952477.db2.gz QWXIHLCFHSPOEH-MRXNPFEDSA-N 2 2 384.867 3.583 20 0 GHADLP O=C1OC2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)CC2)c2cnccc21 ZINC001236919255 1041958592 /nfs/dbraw/zinc/95/85/92/1041958592.db2.gz MXEJFBGDNNQIIM-UHFFFAOYSA-N 2 2 394.862 3.582 20 0 GHADLP COCCC[N@H+](Cc1ccc2cc(Br)ccc2c1)[C@@H]1CC[NH2+]C1 ZINC001236945455 1041966899 /nfs/dbraw/zinc/96/68/99/1041966899.db2.gz FXYIDTUXDROEAD-LJQANCHMSA-N 2 2 377.326 3.803 20 0 GHADLP COCCC[N@@H+](Cc1ccc2cc(Br)ccc2c1)[C@@H]1CC[NH2+]C1 ZINC001236945455 1041966905 /nfs/dbraw/zinc/96/69/05/1041966905.db2.gz FXYIDTUXDROEAD-LJQANCHMSA-N 2 2 377.326 3.803 20 0 GHADLP COc1cccc2c(C[NH+]3C[C@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)ccnc12 ZINC001237106512 1042040647 /nfs/dbraw/zinc/04/06/47/1042040647.db2.gz SPGRBDPGUJQAFH-ROUUACIJSA-N 2 2 379.529 3.869 20 0 GHADLP Cn1c2ccccc2c(Cl)c(C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)c1=O ZINC001237363333 1042171092 /nfs/dbraw/zinc/17/10/92/1042171092.db2.gz KCPSWJALYDGQGB-UHFFFAOYSA-N 2 2 393.918 3.786 20 0 GHADLP COc1ccc2c(c1)n[nH]c2C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001237393587 1042187311 /nfs/dbraw/zinc/18/73/11/1042187311.db2.gz CYPSXIFYILONMC-VQTJNVASSA-N 2 2 390.531 3.916 20 0 GHADLP COc1ccc2c(c1)n[nH]c2C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001237393587 1042187313 /nfs/dbraw/zinc/18/73/13/1042187313.db2.gz CYPSXIFYILONMC-VQTJNVASSA-N 2 2 390.531 3.916 20 0 GHADLP COc1ccc2c(c1)n[nH]c2C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001237393587 1042187321 /nfs/dbraw/zinc/18/73/21/1042187321.db2.gz CYPSXIFYILONMC-VQTJNVASSA-N 2 2 390.531 3.916 20 0 GHADLP COc1ccc2c(c1)n[nH]c2C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001237393587 1042187324 /nfs/dbraw/zinc/18/73/24/1042187324.db2.gz CYPSXIFYILONMC-VQTJNVASSA-N 2 2 390.531 3.916 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc(OCc2ccccc2)c1OC ZINC001237413622 1042197666 /nfs/dbraw/zinc/19/76/66/1042197666.db2.gz IZLLPMAQEKKHGH-LEWJYISDSA-N 2 2 396.531 3.857 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc(OCc2ccccc2)c1OC ZINC001237413622 1042197671 /nfs/dbraw/zinc/19/76/71/1042197671.db2.gz IZLLPMAQEKKHGH-LEWJYISDSA-N 2 2 396.531 3.857 20 0 GHADLP C[C@H](c1ccccc1)[N@H+](C[C@@H]1C[NH2+]CCO1)[C@H]1CC[C@@H]1OCc1ccccc1 ZINC001237463551 1042218595 /nfs/dbraw/zinc/21/85/95/1042218595.db2.gz MZVSRMAFLRWXAW-DLTYFMDKSA-N 2 2 380.532 3.786 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@H]1CC[C@@H]1OCc1ccccc1 ZINC001237463551 1042218600 /nfs/dbraw/zinc/21/86/00/1042218600.db2.gz MZVSRMAFLRWXAW-DLTYFMDKSA-N 2 2 380.532 3.786 20 0 GHADLP C[C@H](c1ccccc1)[N@H+](C[C@@H]1C[NH2+]CCO1)[C@@H]1CC[C@@H]1OCc1ccccc1 ZINC001237463554 1042218747 /nfs/dbraw/zinc/21/87/47/1042218747.db2.gz MZVSRMAFLRWXAW-GOUWZUTHSA-N 2 2 380.532 3.786 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@@H]1CC[C@@H]1OCc1ccccc1 ZINC001237463554 1042218751 /nfs/dbraw/zinc/21/87/51/1042218751.db2.gz MZVSRMAFLRWXAW-GOUWZUTHSA-N 2 2 380.532 3.786 20 0 GHADLP CCOC[C@@H]1C[N@H+](Cc2cccc3c[nH+]cn32)Cc2cn(CC3CCCC3)nc21 ZINC001238105753 1042493689 /nfs/dbraw/zinc/49/36/89/1042493689.db2.gz UJUIWPSQYTVFMP-FQEVSTJZSA-N 2 2 393.535 3.857 20 0 GHADLP CCOC[C@@H]1C[N@@H+](Cc2cccc3c[nH+]cn32)Cc2cn(CC3CCCC3)nc21 ZINC001238105753 1042493692 /nfs/dbraw/zinc/49/36/92/1042493692.db2.gz UJUIWPSQYTVFMP-FQEVSTJZSA-N 2 2 393.535 3.857 20 0 GHADLP FC(F)(F)Oc1cccc(N2CC[NH+](Cc3cccc4c[nH+]cn43)CC2)c1 ZINC001238112114 1042495196 /nfs/dbraw/zinc/49/51/96/1042495196.db2.gz BGRINRHHCXUXKU-UHFFFAOYSA-N 2 2 376.382 3.555 20 0 GHADLP c1cc2c(c(-c3ccc(OCC[NH+]4CCOCC4)cc3)c1)C1(CC2)CC[NH2+]CC1 ZINC001240450025 1042930631 /nfs/dbraw/zinc/93/06/31/1042930631.db2.gz QCDCUABRFBTWKJ-UHFFFAOYSA-N 2 2 392.543 3.632 20 0 GHADLP C[NH+]1CCC(c2ccc(-c3ccc(OCC[NH+]4CCOCC4)cc3)cc2)CC1 ZINC001240453085 1042931623 /nfs/dbraw/zinc/93/16/23/1042931623.db2.gz QTGODYDDKPTQMD-UHFFFAOYSA-N 2 2 380.532 3.874 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH2+]C[C@@](O)(c2ccccc2Cl)C(F)(F)F)CC1 ZINC001462690358 1070473763 /nfs/dbraw/zinc/47/37/63/1070473763.db2.gz VYAFLSUGGJSVFZ-QGZVFWFLSA-N 2 2 378.866 3.942 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3ccc(Cl)cc3NC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001256527902 1043455277 /nfs/dbraw/zinc/45/52/77/1043455277.db2.gz BDWGTHXWSGOBDD-JJXUHFIVSA-N 2 2 383.923 3.846 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3ccc(Cl)cc3NC2=O)CC[N@H+]1Cc1ccccc1 ZINC001256527902 1043455282 /nfs/dbraw/zinc/45/52/82/1043455282.db2.gz BDWGTHXWSGOBDD-JJXUHFIVSA-N 2 2 383.923 3.846 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256542330 1043494423 /nfs/dbraw/zinc/49/44/23/1043494423.db2.gz OLQKSDXMVQXFEI-OQIJWPOYSA-N 2 2 388.449 3.767 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256542330 1043494431 /nfs/dbraw/zinc/49/44/31/1043494431.db2.gz OLQKSDXMVQXFEI-OQIJWPOYSA-N 2 2 388.449 3.767 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)CC[NH+]1Cc1ccccc1 ZINC001256542330 1043494446 /nfs/dbraw/zinc/49/44/46/1043494446.db2.gz OLQKSDXMVQXFEI-OQIJWPOYSA-N 2 2 388.449 3.767 20 0 GHADLP C[C@@H]1C[C@H]([N@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)CC[NH+]1Cc1ccccc1 ZINC001256542330 1043494454 /nfs/dbraw/zinc/49/44/54/1043494454.db2.gz OLQKSDXMVQXFEI-OQIJWPOYSA-N 2 2 388.449 3.767 20 0 GHADLP COc1cc(N(C2CC[NH2+]CC2)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC001256558402 1043529928 /nfs/dbraw/zinc/52/99/28/1043529928.db2.gz RRQUAWYXHQXDHQ-XXBNENTESA-N 3 2 394.563 3.702 20 0 GHADLP COc1cc(N(C2CC[NH2+]CC2)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC001256558402 1043529937 /nfs/dbraw/zinc/52/99/37/1043529937.db2.gz RRQUAWYXHQXDHQ-XXBNENTESA-N 3 2 394.563 3.702 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCCN(C(=O)c3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256561648 1043536425 /nfs/dbraw/zinc/53/64/25/1043536425.db2.gz ZBWZMINECPDZRZ-URXFXBBRSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCCN(C(=O)c3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256561648 1043536434 /nfs/dbraw/zinc/53/64/34/1043536434.db2.gz ZBWZMINECPDZRZ-URXFXBBRSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+]2CCCN(C(=O)c3ccccc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256561648 1043536448 /nfs/dbraw/zinc/53/64/48/1043536448.db2.gz ZBWZMINECPDZRZ-URXFXBBRSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@H]1C[C@@H]([N@H+]2CCCN(C(=O)c3ccccc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256561648 1043536459 /nfs/dbraw/zinc/53/64/59/1043536459.db2.gz ZBWZMINECPDZRZ-URXFXBBRSA-N 2 2 391.559 3.888 20 0 GHADLP Fc1ccc(CC2(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)CCOCC2)cc1 ZINC001256584644 1043553204 /nfs/dbraw/zinc/55/32/04/1043553204.db2.gz SWRXGEIFCHGELF-UHFFFAOYSA-N 2 2 397.538 3.814 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CC[NH+](Cc2ccccc2)CC1 ZINC001256605767 1043569051 /nfs/dbraw/zinc/56/90/51/1043569051.db2.gz LLOXFNTWHDBKLU-SFTDATJTSA-N 2 2 385.552 3.735 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C1CC[NH+](Cc2ccccc2)CC1 ZINC001256605767 1043569062 /nfs/dbraw/zinc/56/90/62/1043569062.db2.gz LLOXFNTWHDBKLU-SFTDATJTSA-N 2 2 385.552 3.735 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC001292093892 1043589366 /nfs/dbraw/zinc/58/93/66/1043589366.db2.gz YAKFDYOCUINTDY-JTDSTZFVSA-N 2 2 379.976 3.815 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC001292093892 1043589377 /nfs/dbraw/zinc/58/93/77/1043589377.db2.gz YAKFDYOCUINTDY-JTDSTZFVSA-N 2 2 379.976 3.815 20 0 GHADLP CC(C)C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)n1cc[nH+]c1 ZINC001292329604 1043686896 /nfs/dbraw/zinc/68/68/96/1043686896.db2.gz DBDXTBKHXQTSPQ-FQEVSTJZSA-N 2 2 386.565 3.700 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256894513 1043727193 /nfs/dbraw/zinc/72/71/93/1043727193.db2.gz KYCOWTDVEBQXER-RYRLBTNJSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256894513 1043727209 /nfs/dbraw/zinc/72/72/09/1043727209.db2.gz KYCOWTDVEBQXER-RYRLBTNJSA-N 2 2 377.573 3.629 20 0 GHADLP CC[C@@H]1C[C@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257121262 1043866534 /nfs/dbraw/zinc/86/65/34/1043866534.db2.gz MUELXDUMXCFHRP-RTBURBONSA-N 2 2 388.556 3.510 20 0 GHADLP CC(C)[C@@H]1C[C@H]([N@H+](CC[NH3+])Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001257181561 1043922002 /nfs/dbraw/zinc/92/20/02/1043922002.db2.gz VWHVUNKLUPGUIS-UXHICEINSA-N 2 2 375.557 3.871 20 0 GHADLP CC(C)[C@@H]1C[C@H]([N@@H+](CC[NH3+])Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001257181561 1043922005 /nfs/dbraw/zinc/92/20/05/1043922005.db2.gz VWHVUNKLUPGUIS-UXHICEINSA-N 2 2 375.557 3.871 20 0 GHADLP CCC[C@@H](C)CC[C@H](C)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001257486201 1044013692 /nfs/dbraw/zinc/01/36/92/1044013692.db2.gz TVQHSKITXIFNIE-YADHBBJMSA-N 3 2 392.676 3.768 20 0 GHADLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257788617 1044173139 /nfs/dbraw/zinc/17/31/39/1044173139.db2.gz QOPUGXGVXHQYEP-UGKGYDQZSA-N 2 2 379.589 3.878 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([N@@H+]1Cc3ccccc3C[C@H]1C[NH3+])C2 ZINC001257808803 1044190731 /nfs/dbraw/zinc/19/07/31/1044190731.db2.gz RZWIMETYIXUKHR-DPLHUUCSSA-N 2 2 399.579 3.942 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([N@H+]1Cc3ccccc3C[C@H]1C[NH3+])C2 ZINC001257808803 1044190738 /nfs/dbraw/zinc/19/07/38/1044190738.db2.gz RZWIMETYIXUKHR-DPLHUUCSSA-N 2 2 399.579 3.942 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccccc1C(=O)OC(C)(C)C ZINC001293588746 1044254823 /nfs/dbraw/zinc/25/48/23/1044254823.db2.gz DTYXVDJXCQJTRW-UHFFFAOYSA-N 2 2 392.459 3.712 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1COc2ccc(Cl)cc2C1 ZINC001257960034 1044277466 /nfs/dbraw/zinc/27/74/66/1044277466.db2.gz PUPGCJWOQDFMAZ-KCZVDYSFSA-N 2 2 386.923 3.523 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1COc2ccc(Cl)cc2C1 ZINC001257960034 1044277478 /nfs/dbraw/zinc/27/74/78/1044277478.db2.gz PUPGCJWOQDFMAZ-KCZVDYSFSA-N 2 2 386.923 3.523 20 0 GHADLP Cn1cc[nH+]c1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257988191 1044316714 /nfs/dbraw/zinc/31/67/14/1044316714.db2.gz JZJUTKMPLMRQEQ-VQTJNVASSA-N 2 2 398.551 3.563 20 0 GHADLP CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2C1CC[NH+](CCc2ccccc2)CC1 ZINC001258142737 1044429103 /nfs/dbraw/zinc/42/91/03/1044429103.db2.gz KITVKYMYGZOFAF-UHFFFAOYSA-N 2 2 399.579 3.683 20 0 GHADLP CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2C1CC[NH+](CCc2ccccc2)CC1 ZINC001258142737 1044429108 /nfs/dbraw/zinc/42/91/08/1044429108.db2.gz KITVKYMYGZOFAF-UHFFFAOYSA-N 2 2 399.579 3.683 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@H+]3C[C@H]4[C@@H](CCN4Cc4ccccc4)C3)CC2)cc1 ZINC001258146067 1044436015 /nfs/dbraw/zinc/43/60/15/1044436015.db2.gz QYQDLRVKZXQDGC-AHWVRZQESA-N 2 2 389.587 3.900 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@@H+]3C[C@H]4[C@@H](CCN4Cc4ccccc4)C3)CC2)cc1 ZINC001258146067 1044436017 /nfs/dbraw/zinc/43/60/17/1044436017.db2.gz QYQDLRVKZXQDGC-AHWVRZQESA-N 2 2 389.587 3.900 20 0 GHADLP O=C1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCN1Cc1ccccc1 ZINC001258575148 1044650532 /nfs/dbraw/zinc/65/05/32/1044650532.db2.gz ABMDYPZHCBCPOZ-ZEQRLZLVSA-N 2 2 391.559 3.822 20 0 GHADLP O=C1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCN1Cc1ccccc1 ZINC001258575148 1044650541 /nfs/dbraw/zinc/65/05/41/1044650541.db2.gz ABMDYPZHCBCPOZ-ZEQRLZLVSA-N 2 2 391.559 3.822 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC001294800341 1044797507 /nfs/dbraw/zinc/79/75/07/1044797507.db2.gz CSGRBQHFHOTVBT-HBGVWJBISA-N 2 2 385.939 3.722 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC001294800341 1044797521 /nfs/dbraw/zinc/79/75/21/1044797521.db2.gz CSGRBQHFHOTVBT-HBGVWJBISA-N 2 2 385.939 3.722 20 0 GHADLP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1cccc(Cl)c1Cl)CC2 ZINC001279205959 1045687589 /nfs/dbraw/zinc/68/75/89/1045687589.db2.gz MVEOAVDFQHGSRR-UHFFFAOYSA-N 2 2 387.351 3.902 20 0 GHADLP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(Cl)c1Cl)CC2 ZINC001279205959 1045687598 /nfs/dbraw/zinc/68/75/98/1045687598.db2.gz MVEOAVDFQHGSRR-UHFFFAOYSA-N 2 2 387.351 3.902 20 0 GHADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC001261831106 1046107339 /nfs/dbraw/zinc/10/73/39/1046107339.db2.gz SPGMUFWPKSRZSJ-UHFFFAOYSA-N 2 2 388.943 3.807 20 0 GHADLP COc1cccc([C@H](C)CCCC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c1 ZINC001302317376 1046907750 /nfs/dbraw/zinc/90/77/50/1046907750.db2.gz WBMCMDNECNPCKO-GOSISDBHSA-N 2 2 396.535 3.755 20 0 GHADLP C[NH+](C)CCc1ccc(C(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cc1 ZINC001263989300 1047206519 /nfs/dbraw/zinc/20/65/19/1047206519.db2.gz SXTWKLJIMOLTLS-HXUWFJFHSA-N 2 2 382.552 3.762 20 0 GHADLP COc1ccc(F)c(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c1Cl ZINC001279146149 1047731236 /nfs/dbraw/zinc/73/12/36/1047731236.db2.gz POHVRKOUUGKTDE-UHFFFAOYSA-N 2 2 377.891 3.914 20 0 GHADLP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(F)ccc(C)c3Cl)(C1)CCC2 ZINC001279445190 1047810298 /nfs/dbraw/zinc/81/02/98/1047810298.db2.gz JMCKVLXRRHROQW-UXHICEINSA-N 2 2 384.923 3.933 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](C)CCC[C@H]3C)CC2)cc1 ZINC001307476762 1049315274 /nfs/dbraw/zinc/31/52/74/1049315274.db2.gz ABNRKZADOOHYEE-LEWJYISDSA-N 2 2 385.596 3.965 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](C)CCC[C@H]3C)CC2)cc1 ZINC001307476762 1049315286 /nfs/dbraw/zinc/31/52/86/1049315286.db2.gz ABNRKZADOOHYEE-LEWJYISDSA-N 2 2 385.596 3.965 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H]3CCN(c4ccc(C)cc4)C3=O)C2)s1 ZINC001307750355 1049563826 /nfs/dbraw/zinc/56/38/26/1049563826.db2.gz IJJLBTWYSMAHCI-UGKGYDQZSA-N 2 2 397.588 3.924 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H]3CCN(c4ccc(C)cc4)C3=O)C2)s1 ZINC001307750355 1049563838 /nfs/dbraw/zinc/56/38/38/1049563838.db2.gz IJJLBTWYSMAHCI-UGKGYDQZSA-N 2 2 397.588 3.924 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H]3CCN(c4ccc(C)cc4)C3=O)C2)s1 ZINC001307750355 1049563850 /nfs/dbraw/zinc/56/38/50/1049563850.db2.gz IJJLBTWYSMAHCI-UGKGYDQZSA-N 2 2 397.588 3.924 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H]3CCN(c4ccc(C)cc4)C3=O)C2)s1 ZINC001307750355 1049563859 /nfs/dbraw/zinc/56/38/59/1049563859.db2.gz IJJLBTWYSMAHCI-UGKGYDQZSA-N 2 2 397.588 3.924 20 0 GHADLP OC[C@@H](C1CCC1)[N@H+](Cc1ccccc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001307874281 1049655760 /nfs/dbraw/zinc/65/57/60/1049655760.db2.gz LKLIGXLJFXQTEB-VWLOTQADSA-N 2 2 394.559 3.682 20 0 GHADLP OC[C@@H](C1CCC1)[N@@H+](Cc1ccccc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001307874281 1049655769 /nfs/dbraw/zinc/65/57/69/1049655769.db2.gz LKLIGXLJFXQTEB-VWLOTQADSA-N 2 2 394.559 3.682 20 0 GHADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308040701 1049792059 /nfs/dbraw/zinc/79/20/59/1049792059.db2.gz OIDPABDSWIXBNX-ROUUACIJSA-N 2 2 392.503 3.558 20 0 GHADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308040701 1049792067 /nfs/dbraw/zinc/79/20/67/1049792067.db2.gz OIDPABDSWIXBNX-ROUUACIJSA-N 2 2 392.503 3.558 20 0 GHADLP CC(C)n1c2ccccc2nc1C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001308200546 1049910273 /nfs/dbraw/zinc/91/02/73/1049910273.db2.gz NQFMVFIUNRANSQ-UHFFFAOYSA-N 2 2 391.563 3.654 20 0 GHADLP CC(C)n1c2ccccc2nc1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001308200546 1049910281 /nfs/dbraw/zinc/91/02/81/1049910281.db2.gz NQFMVFIUNRANSQ-UHFFFAOYSA-N 2 2 391.563 3.654 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2Br)[C@@H](C)C1 ZINC001308269125 1049931885 /nfs/dbraw/zinc/93/18/85/1049931885.db2.gz IGSPQGZNINNAQW-KBXCAEBGSA-N 2 2 387.337 3.815 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2Br)[C@@H](C)C1 ZINC001308269125 1049931888 /nfs/dbraw/zinc/93/18/88/1049931888.db2.gz IGSPQGZNINNAQW-KBXCAEBGSA-N 2 2 387.337 3.815 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)[NH+]1CCC[C@@H](C)C1 ZINC001290900177 1049948612 /nfs/dbraw/zinc/94/86/12/1049948612.db2.gz RIAGUNQDQDZIRQ-MBOZVWFJSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)[NH+]1CCC[C@@H](C)C1 ZINC001290900177 1049948614 /nfs/dbraw/zinc/94/86/14/1049948614.db2.gz RIAGUNQDQDZIRQ-MBOZVWFJSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001290900177 1049948618 /nfs/dbraw/zinc/94/86/18/1049948618.db2.gz RIAGUNQDQDZIRQ-MBOZVWFJSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001290900177 1049948619 /nfs/dbraw/zinc/94/86/19/1049948619.db2.gz RIAGUNQDQDZIRQ-MBOZVWFJSA-N 2 2 377.960 3.541 20 0 GHADLP Cc1csc(N2CCC([NH2+]C3CC[NH+]([C@H](C)c4ccncc4)CC3)CC2)n1 ZINC001308338956 1049952721 /nfs/dbraw/zinc/95/27/21/1049952721.db2.gz RIVINNYVNPEQAY-QGZVFWFLSA-N 2 2 385.581 3.631 20 0 GHADLP OCC1(C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)CC2(CCC2)C1 ZINC001308388104 1049964252 /nfs/dbraw/zinc/96/42/52/1049964252.db2.gz ZBAFZNJCTJHLJD-UHFFFAOYSA-N 2 2 389.927 3.648 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c2c1OC(F)(F)O2 ZINC001308593155 1050023581 /nfs/dbraw/zinc/02/35/81/1050023581.db2.gz FGSAOYCQZRNXMW-CVEARBPZSA-N 2 2 384.492 3.930 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c2c1OC(F)(F)O2 ZINC001308593155 1050023586 /nfs/dbraw/zinc/02/35/86/1050023586.db2.gz FGSAOYCQZRNXMW-CVEARBPZSA-N 2 2 384.492 3.930 20 0 GHADLP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1CC[NH+](C)[C@H](c2ccc(Br)cc2)C1 ZINC001308802277 1050100445 /nfs/dbraw/zinc/10/04/45/1050100445.db2.gz QVTOMZJQVAGETN-SNRMKQJTSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CC[NH+](C)[C@H](c2ccc(Br)cc2)C1 ZINC001308802277 1050100451 /nfs/dbraw/zinc/10/04/51/1050100451.db2.gz QVTOMZJQVAGETN-SNRMKQJTSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[N@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC001308802277 1050100456 /nfs/dbraw/zinc/10/04/56/1050100456.db2.gz QVTOMZJQVAGETN-SNRMKQJTSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[N@@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC001308802277 1050100460 /nfs/dbraw/zinc/10/04/60/1050100460.db2.gz QVTOMZJQVAGETN-SNRMKQJTSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)Cn1nccc1C[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001308915128 1050164852 /nfs/dbraw/zinc/16/48/52/1050164852.db2.gz KOYHRTCPAUPKAN-BGYRXZFFSA-N 2 2 384.568 3.780 20 0 GHADLP CC(C)Cn1nccc1C[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001308915128 1050164856 /nfs/dbraw/zinc/16/48/56/1050164856.db2.gz KOYHRTCPAUPKAN-BGYRXZFFSA-N 2 2 384.568 3.780 20 0 GHADLP CC(C)Cn1nccc1C[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001308915128 1050164860 /nfs/dbraw/zinc/16/48/60/1050164860.db2.gz KOYHRTCPAUPKAN-BGYRXZFFSA-N 2 2 384.568 3.780 20 0 GHADLP CC(C)Cn1nccc1C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001308915128 1050164870 /nfs/dbraw/zinc/16/48/70/1050164870.db2.gz KOYHRTCPAUPKAN-BGYRXZFFSA-N 2 2 384.568 3.780 20 0 GHADLP [NH3+]Cc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)cc(C(F)(F)F)c1 ZINC001328271597 1050456694 /nfs/dbraw/zinc/45/66/94/1050456694.db2.gz MYIBOZGVWNTRHC-SFHVURJKSA-N 2 2 392.425 3.552 20 0 GHADLP [NH3+]Cc1cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)cc(C(F)(F)F)c1 ZINC001328271597 1050456718 /nfs/dbraw/zinc/45/67/18/1050456718.db2.gz MYIBOZGVWNTRHC-SFHVURJKSA-N 2 2 392.425 3.552 20 0 GHADLP CC[N@H+](CCCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CCCCC1 ZINC001311351816 1052049936 /nfs/dbraw/zinc/04/99/36/1052049936.db2.gz DJLGFKRJUOWIKW-UHFFFAOYSA-N 2 2 397.567 3.775 20 0 GHADLP CC[N@@H+](CCCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CCCCC1 ZINC001311351816 1052049947 /nfs/dbraw/zinc/04/99/47/1052049947.db2.gz DJLGFKRJUOWIKW-UHFFFAOYSA-N 2 2 397.567 3.775 20 0 GHADLP C[C@H](CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)N(C)C(=O)OC(C)(C)C ZINC001343634224 1053938225 /nfs/dbraw/zinc/93/82/25/1053938225.db2.gz HQZLOTHLCKGGOA-CQSZACIVSA-N 2 2 381.483 3.638 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC001318417791 1054625111 /nfs/dbraw/zinc/62/51/11/1054625111.db2.gz RLCXTQHRYWOCFX-NRFANRHFSA-N 2 2 380.536 3.753 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC001318417791 1054625124 /nfs/dbraw/zinc/62/51/24/1054625124.db2.gz RLCXTQHRYWOCFX-NRFANRHFSA-N 2 2 380.536 3.753 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC001318504285 1054684587 /nfs/dbraw/zinc/68/45/87/1054684587.db2.gz PYEHCRKJHMRNQC-FGZHOGPDSA-N 2 2 395.547 3.896 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC001318504285 1054684591 /nfs/dbraw/zinc/68/45/91/1054684591.db2.gz PYEHCRKJHMRNQC-FGZHOGPDSA-N 2 2 395.547 3.896 20 0 GHADLP CC(C)c1oc(-c2ccccc2)nc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001318509459 1054690071 /nfs/dbraw/zinc/69/00/71/1054690071.db2.gz KTNKWBWITWRZJJ-UHFFFAOYSA-N 2 2 398.551 3.563 20 0 GHADLP CC(C)c1oc(-c2ccccc2)nc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001318509459 1054690087 /nfs/dbraw/zinc/69/00/87/1054690087.db2.gz KTNKWBWITWRZJJ-UHFFFAOYSA-N 2 2 398.551 3.563 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COc1cc(Cl)ccc1Cl ZINC001318541378 1054707751 /nfs/dbraw/zinc/70/77/51/1054707751.db2.gz LSHOECCAYIHKQU-UHFFFAOYSA-N 2 2 377.231 3.900 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(N3CCCC3)cc2)[nH+]1 ZINC001319605804 1055355571 /nfs/dbraw/zinc/35/55/71/1055355571.db2.gz DWJGFZVURKXELS-NRFANRHFSA-N 2 2 393.535 3.505 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(N3CCCC3)cc2)[nH+]1 ZINC001319605804 1055355577 /nfs/dbraw/zinc/35/55/77/1055355577.db2.gz DWJGFZVURKXELS-NRFANRHFSA-N 2 2 393.535 3.505 20 0 GHADLP COc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c(F)c1OC ZINC001200750242 1056887890 /nfs/dbraw/zinc/88/78/90/1056887890.db2.gz FUJIRQZPZGTLRH-UHFFFAOYSA-N 2 2 387.499 3.668 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000848519139 1057144829 /nfs/dbraw/zinc/14/48/29/1057144829.db2.gz PUBMUTUVAPTHAW-PMACEKPBSA-N 2 2 384.524 3.857 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000848899025 1057407124 /nfs/dbraw/zinc/40/71/24/1057407124.db2.gz IZRYSHAHHYPCCD-OEAKIKGJSA-N 2 2 379.460 3.810 20 0 GHADLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000849064174 1057575533 /nfs/dbraw/zinc/57/55/33/1057575533.db2.gz WNJUUNQMKYBCEU-UHFFFAOYSA-N 2 2 375.354 3.907 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001447348104 1059952191 /nfs/dbraw/zinc/95/21/91/1059952191.db2.gz ULGGTSBIBWRJAE-VXSCBNMQSA-N 2 2 392.547 3.689 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001447348104 1059952194 /nfs/dbraw/zinc/95/21/94/1059952194.db2.gz ULGGTSBIBWRJAE-VXSCBNMQSA-N 2 2 392.547 3.689 20 0 GHADLP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C[NH+](C)CCc1ccccc1 ZINC001453738221 1061193396 /nfs/dbraw/zinc/19/33/96/1061193396.db2.gz MBTIMNLXQIIKHA-XMMPIXPASA-N 2 2 393.575 3.530 20 0 GHADLP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C[NH+](C)CCc1ccccc1 ZINC001453738221 1061193420 /nfs/dbraw/zinc/19/34/20/1061193420.db2.gz MBTIMNLXQIIKHA-XMMPIXPASA-N 2 2 393.575 3.530 20 0 GHADLP CC(C)[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001453738221 1061193438 /nfs/dbraw/zinc/19/34/38/1061193438.db2.gz MBTIMNLXQIIKHA-XMMPIXPASA-N 2 2 393.575 3.530 20 0 GHADLP CC(C)[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001453738221 1061193460 /nfs/dbraw/zinc/19/34/60/1061193460.db2.gz MBTIMNLXQIIKHA-XMMPIXPASA-N 2 2 393.575 3.530 20 0 GHADLP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001455759218 1062280657 /nfs/dbraw/zinc/28/06/57/1062280657.db2.gz DUTNYCLAOOEHLB-FQEVSTJZSA-N 2 2 384.524 3.724 20 0 GHADLP CC1CCC([NH+]2CCN(C(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)CC2)CC1 ZINC001456418051 1062670483 /nfs/dbraw/zinc/67/04/83/1062670483.db2.gz LBUQSMDNJFSGHC-GQOXECLESA-N 2 2 377.960 3.666 20 0 GHADLP COc1cccc(C[C@@H]2CCC[N@@H+]2CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001459340739 1064067611 /nfs/dbraw/zinc/06/76/11/1064067611.db2.gz WIOGYWHCTNYKQZ-DEOSSOPVSA-N 2 2 393.575 3.914 20 0 GHADLP COc1cccc(C[C@@H]2CCC[N@H+]2CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001459340739 1064067621 /nfs/dbraw/zinc/06/76/21/1064067621.db2.gz WIOGYWHCTNYKQZ-DEOSSOPVSA-N 2 2 393.575 3.914 20 0 GHADLP CC[C@@H](C(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1)[NH+](C)C ZINC001464103586 1064825377 /nfs/dbraw/zinc/82/53/77/1064825377.db2.gz PGCXLDJWPSGYBL-IBGZPJMESA-N 2 2 389.540 3.539 20 0 GHADLP C[N@H+](CCc1cccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1)C1CC1 ZINC001466486423 1066169997 /nfs/dbraw/zinc/16/99/97/1066169997.db2.gz MSFAQUFNWDVYBC-KRWDZBQOSA-N 2 2 380.414 3.652 20 0 GHADLP C[N@@H+](CCc1cccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1)C1CC1 ZINC001466486423 1066170004 /nfs/dbraw/zinc/17/00/04/1066170004.db2.gz MSFAQUFNWDVYBC-KRWDZBQOSA-N 2 2 380.414 3.652 20 0 GHADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001468360070 1067702767 /nfs/dbraw/zinc/70/27/67/1067702767.db2.gz QXWUSNQPWKJBLT-DHIUTWEWSA-N 2 2 397.538 3.580 20 0 GHADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001468360070 1067702773 /nfs/dbraw/zinc/70/27/73/1067702773.db2.gz QXWUSNQPWKJBLT-DHIUTWEWSA-N 2 2 397.538 3.580 20 0 GHADLP O=C(NC[C@H]1CC[NH+]1Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001470376007 1068709027 /nfs/dbraw/zinc/70/90/27/1068709027.db2.gz RUCGVCGFHMKOOB-PKTZIBPZSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(NC[C@H]1CC[NH+]1Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001470376007 1068709036 /nfs/dbraw/zinc/70/90/36/1068709036.db2.gz RUCGVCGFHMKOOB-PKTZIBPZSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001470376007 1068709046 /nfs/dbraw/zinc/70/90/46/1068709046.db2.gz RUCGVCGFHMKOOB-PKTZIBPZSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001470376007 1068709059 /nfs/dbraw/zinc/70/90/59/1068709059.db2.gz RUCGVCGFHMKOOB-PKTZIBPZSA-N 2 2 395.522 3.571 20 0 GHADLP CCOC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001460318657 1068922753 /nfs/dbraw/zinc/92/27/53/1068922753.db2.gz SLSXORBAPRZGMS-JQVVWYNYSA-N 2 2 390.568 3.705 20 0 GHADLP CCOC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001460318657 1068922755 /nfs/dbraw/zinc/92/27/55/1068922755.db2.gz SLSXORBAPRZGMS-JQVVWYNYSA-N 2 2 390.568 3.705 20 0 GHADLP CCOC(=O)[C@H](CC(C)C)[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001460318657 1068922756 /nfs/dbraw/zinc/92/27/56/1068922756.db2.gz SLSXORBAPRZGMS-JQVVWYNYSA-N 2 2 390.568 3.705 20 0 GHADLP CCOC(=O)[C@H](CC(C)C)[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001460318657 1068922759 /nfs/dbraw/zinc/92/27/59/1068922759.db2.gz SLSXORBAPRZGMS-JQVVWYNYSA-N 2 2 390.568 3.705 20 0 GHADLP C[NH+]1CCC2(CC1)CC[NH+](CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)CC2 ZINC001460608599 1069027118 /nfs/dbraw/zinc/02/71/18/1069027118.db2.gz VFLHGFNOCUZNFH-UHFFFAOYSA-N 2 2 392.609 3.566 20 0 GHADLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(Oc4ccccc4)c(F)c3)CC2)CC1 ZINC001460636352 1069045993 /nfs/dbraw/zinc/04/59/93/1069045993.db2.gz AVDOFGYUULNVPO-UHFFFAOYSA-N 2 2 383.511 3.830 20 0 GHADLP COc1ccc2c(C[NH2+][C@H](Cn3cc[nH+]c3)c3ccccc3)cc(=O)oc2c1 ZINC001460687424 1069086696 /nfs/dbraw/zinc/08/66/96/1069086696.db2.gz GHDRISCBBOYBDC-HXUWFJFHSA-N 2 2 375.428 3.529 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC3(CC)CCCCC3)CC2)CC1 ZINC001478386891 1078845293 /nfs/dbraw/zinc/84/52/93/1078845293.db2.gz GKBQYCHJRUFICR-UHFFFAOYSA-N 2 2 378.605 3.549 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC3(CC)CCCCC3)CC2)CC1 ZINC001478386891 1078845296 /nfs/dbraw/zinc/84/52/96/1078845296.db2.gz GKBQYCHJRUFICR-UHFFFAOYSA-N 2 2 378.605 3.549 20 0 GHADLP COc1ccc(Br)cc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001460705008 1069103686 /nfs/dbraw/zinc/10/36/86/1069103686.db2.gz GRACETUSBIGLJM-CQSZACIVSA-N 2 2 376.298 3.563 20 0 GHADLP COc1ccc(Br)cc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001460705008 1069103707 /nfs/dbraw/zinc/10/37/07/1069103707.db2.gz GRACETUSBIGLJM-CQSZACIVSA-N 2 2 376.298 3.563 20 0 GHADLP CC[N@H+](CC(=O)NCCC1CC[NH+](C(C)C)CC1)Cc1ccccc1Cl ZINC001470705131 1072693845 /nfs/dbraw/zinc/69/38/45/1072693845.db2.gz GJDMKOYSYFVGNA-UHFFFAOYSA-N 2 2 379.976 3.789 20 0 GHADLP CC[N@@H+](CC(=O)NCCC1CC[NH+](C(C)C)CC1)Cc1ccccc1Cl ZINC001470705131 1072693848 /nfs/dbraw/zinc/69/38/48/1072693848.db2.gz GJDMKOYSYFVGNA-UHFFFAOYSA-N 2 2 379.976 3.789 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001471709678 1073191731 /nfs/dbraw/zinc/19/17/31/1073191731.db2.gz VALOZHXDVXFDTI-HLAWJBBLSA-N 2 2 375.532 3.541 20 0 GHADLP O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001479106693 1079106157 /nfs/dbraw/zinc/10/61/57/1079106157.db2.gz HSCNNINONDWEFW-LEWJYISDSA-N 2 2 395.551 3.744 20 0 GHADLP O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001479106693 1079106160 /nfs/dbraw/zinc/10/61/60/1079106160.db2.gz HSCNNINONDWEFW-LEWJYISDSA-N 2 2 395.551 3.744 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001473282855 1073905255 /nfs/dbraw/zinc/90/52/55/1073905255.db2.gz BERRJPQLEVGIMN-UHFFFAOYSA-N 2 2 394.607 3.699 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001473282855 1073905260 /nfs/dbraw/zinc/90/52/60/1073905260.db2.gz BERRJPQLEVGIMN-UHFFFAOYSA-N 2 2 394.607 3.699 20 0 GHADLP Cc1ccc2sc(C[N@H+](C)CCN3CC[NH+](Cc4ccccc4)CC3)nc2c1 ZINC001473463526 1073977518 /nfs/dbraw/zinc/97/75/18/1073977518.db2.gz VJUNICOMVDXHSM-UHFFFAOYSA-N 2 2 394.588 3.854 20 0 GHADLP Cc1ccc2sc(C[N@@H+](C)CCN3CC[NH+](Cc4ccccc4)CC3)nc2c1 ZINC001473463526 1073977520 /nfs/dbraw/zinc/97/75/20/1073977520.db2.gz VJUNICOMVDXHSM-UHFFFAOYSA-N 2 2 394.588 3.854 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cnc([C@H]4CCCO4)s3)c2)CCO1 ZINC001473955408 1074217208 /nfs/dbraw/zinc/21/72/08/1074217208.db2.gz ZRIWKZAZJHWJHO-OXQOHEQNSA-N 2 2 387.549 3.505 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnc([C@H]4CCCO4)s3)c2)CCO1 ZINC001473955408 1074217211 /nfs/dbraw/zinc/21/72/11/1074217211.db2.gz ZRIWKZAZJHWJHO-OXQOHEQNSA-N 2 2 387.549 3.505 20 0 GHADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)sc2Br)C1 ZINC001473994676 1074229435 /nfs/dbraw/zinc/22/94/35/1074229435.db2.gz ARNIJQRJKXAFGF-VIFPVBQESA-N 2 2 382.165 3.705 20 0 GHADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)sc2Br)C1 ZINC001473994676 1074229439 /nfs/dbraw/zinc/22/94/39/1074229439.db2.gz ARNIJQRJKXAFGF-VIFPVBQESA-N 2 2 382.165 3.705 20 0 GHADLP Cc1noc(-c2ccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cc2)n1 ZINC001474105463 1074265222 /nfs/dbraw/zinc/26/52/22/1074265222.db2.gz AJMWVUWKCRKJSI-UHFFFAOYSA-N 2 2 376.504 3.842 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001474339505 1074351069 /nfs/dbraw/zinc/35/10/69/1074351069.db2.gz KXGRJAHYLDYYEM-GOSISDBHSA-N 2 2 383.536 3.898 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001474339505 1074351079 /nfs/dbraw/zinc/35/10/79/1074351079.db2.gz KXGRJAHYLDYYEM-GOSISDBHSA-N 2 2 383.536 3.898 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C(C)(C)CNC(=O)OC(C)(C)C)CC2)cc1 ZINC001474425327 1074401416 /nfs/dbraw/zinc/40/14/16/1074401416.db2.gz BZLVJWLGOAXNNX-UHFFFAOYSA-N 2 2 390.572 3.614 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC001476113581 1075087067 /nfs/dbraw/zinc/08/70/67/1075087067.db2.gz BUPQGLQPFISSAG-UHFFFAOYSA-N 2 2 390.478 3.637 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC001476113581 1075087069 /nfs/dbraw/zinc/08/70/69/1075087069.db2.gz BUPQGLQPFISSAG-UHFFFAOYSA-N 2 2 390.478 3.637 20 0 GHADLP C[C@H]1C[C@H](NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c2[nH+]ccn21 ZINC000333157019 570731185 /nfs/dbraw/zinc/73/11/85/570731185.db2.gz GOQIUTQYUKGNBA-ICSRJNTNSA-N 2 2 393.535 3.587 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)CC1 ZINC000819914478 607071284 /nfs/dbraw/zinc/07/12/84/607071284.db2.gz SWPHXDKHXXONJT-UHFFFAOYSA-N 2 2 396.564 3.948 20 0 GHADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC001165031175 721844189 /nfs/dbraw/zinc/84/41/89/721844189.db2.gz WKRQKXDSWRFASK-UHFFFAOYSA-N 2 2 384.524 3.520 20 0 GHADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001165020570 721844233 /nfs/dbraw/zinc/84/42/33/721844233.db2.gz FWERCWYSQTWDRL-UHFFFAOYSA-N 2 2 396.535 3.780 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2cc3n(n2)CCC3)CC1 ZINC000414108340 837565815 /nfs/dbraw/zinc/56/58/15/837565815.db2.gz GFLKNLRSXIAKCB-DLBZAZTESA-N 2 2 385.531 3.522 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccc(C)cc2)cc1 ZINC000655703842 837693562 /nfs/dbraw/zinc/69/35/62/837693562.db2.gz WNKKDNUFKFVAMO-LADGPHEKSA-N 2 2 380.532 3.936 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000655715200 837720544 /nfs/dbraw/zinc/72/05/44/837720544.db2.gz HBIJUUHRXLJAHI-UHFFFAOYSA-N 2 2 388.313 3.710 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)sc1-c1ccccc1 ZINC000654774030 834542438 /nfs/dbraw/zinc/54/24/38/834542438.db2.gz RPVOPPPDSKSFHP-HXUWFJFHSA-N 2 2 397.588 3.964 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)sc1-c1ccccc1 ZINC000654774030 834542441 /nfs/dbraw/zinc/54/24/41/834542441.db2.gz RPVOPPPDSKSFHP-HXUWFJFHSA-N 2 2 397.588 3.964 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CCOCC1 ZINC000151888742 834548874 /nfs/dbraw/zinc/54/88/74/834548874.db2.gz SGXPHDVEKQSPQT-QGZVFWFLSA-N 2 2 399.501 3.622 20 0 GHADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000536083295 834725744 /nfs/dbraw/zinc/72/57/44/834725744.db2.gz SOIVTKRVTSIMKR-HDICACEKSA-N 2 2 393.535 3.986 20 0 GHADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000536083295 834725752 /nfs/dbraw/zinc/72/57/52/834725752.db2.gz SOIVTKRVTSIMKR-HDICACEKSA-N 2 2 393.535 3.986 20 0 GHADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278411262 835011381 /nfs/dbraw/zinc/01/13/81/835011381.db2.gz HOYSMTLPCYUXRL-NRFANRHFSA-N 2 2 396.535 3.618 20 0 GHADLP COc1cc(-c2ccccc2)ccc1CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457288 835022132 /nfs/dbraw/zinc/02/21/32/835022132.db2.gz UIJBMXVADUDJFG-DEOSSOPVSA-N 2 2 393.575 3.963 20 0 GHADLP COc1cc(-c2ccccc2)ccc1CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457288 835022141 /nfs/dbraw/zinc/02/21/41/835022141.db2.gz UIJBMXVADUDJFG-DEOSSOPVSA-N 2 2 393.575 3.963 20 0 GHADLP Cc1cc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(OC(F)F)cc1C ZINC000685457941 835022852 /nfs/dbraw/zinc/02/28/52/835022852.db2.gz UGJZGGALHXVDTI-IBGZPJMESA-N 2 2 381.511 3.505 20 0 GHADLP Cc1cc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(OC(F)F)cc1C ZINC000685457941 835022861 /nfs/dbraw/zinc/02/28/61/835022861.db2.gz UGJZGGALHXVDTI-IBGZPJMESA-N 2 2 381.511 3.505 20 0 GHADLP CCc1cccc(NC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)c1CC ZINC000421095654 835200030 /nfs/dbraw/zinc/20/00/30/835200030.db2.gz BQGFUCKXZCTJPS-UHFFFAOYSA-N 2 2 386.584 3.835 20 0 GHADLP CCc1cccc(NC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)c1CC ZINC000421095654 835200033 /nfs/dbraw/zinc/20/00/33/835200033.db2.gz BQGFUCKXZCTJPS-UHFFFAOYSA-N 2 2 386.584 3.835 20 0 GHADLP F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000685629673 835238310 /nfs/dbraw/zinc/23/83/10/835238310.db2.gz DSLRFMGEHWVTKZ-NHYWBVRUSA-N 2 2 393.331 3.929 20 0 GHADLP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)Nc1ccc2[nH+]ccn2c1 ZINC000685636588 835242596 /nfs/dbraw/zinc/24/25/96/835242596.db2.gz VWANBIUFVKCTNC-LJQANCHMSA-N 2 2 377.492 3.758 20 0 GHADLP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1ccc2[nH+]ccn2c1 ZINC000685636588 835242602 /nfs/dbraw/zinc/24/26/02/835242602.db2.gz VWANBIUFVKCTNC-LJQANCHMSA-N 2 2 377.492 3.758 20 0 GHADLP CCC[NH+]1CCC(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000151392328 835414577 /nfs/dbraw/zinc/41/45/77/835414577.db2.gz IPCMWMHNDDTAKR-FGZHOGPDSA-N 2 2 395.551 3.533 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092572 835417075 /nfs/dbraw/zinc/41/70/75/835417075.db2.gz QNDFTESIYPZOMU-BBRMVZONSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092572 835417078 /nfs/dbraw/zinc/41/70/78/835417078.db2.gz QNDFTESIYPZOMU-BBRMVZONSA-N 2 2 382.346 3.629 20 0 GHADLP CCC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000154383086 835590617 /nfs/dbraw/zinc/59/06/17/835590617.db2.gz YFMLEXVFGRHZTR-JOCHJYFZSA-N 2 2 386.584 3.856 20 0 GHADLP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000158920004 835652346 /nfs/dbraw/zinc/65/23/46/835652346.db2.gz XNIFLKPRRBSSAO-AVRDEDQJSA-N 2 2 380.536 3.820 20 0 GHADLP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000158920004 835652352 /nfs/dbraw/zinc/65/23/52/835652352.db2.gz XNIFLKPRRBSSAO-AVRDEDQJSA-N 2 2 380.536 3.820 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1cccnc1Cl ZINC000274820456 835653235 /nfs/dbraw/zinc/65/32/35/835653235.db2.gz JQBDQMUCGBOMSP-BQFCYCMXSA-N 2 2 386.927 3.562 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1cccnc1Cl ZINC000274820456 835653239 /nfs/dbraw/zinc/65/32/39/835653239.db2.gz JQBDQMUCGBOMSP-BQFCYCMXSA-N 2 2 386.927 3.562 20 0 GHADLP CCc1ccc([C@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[NH+](C)C)cc1 ZINC000047270866 835682019 /nfs/dbraw/zinc/68/20/19/835682019.db2.gz XLOYALGZZARLEO-QFIPXVFZSA-N 2 2 376.504 3.527 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000278664194 835738941 /nfs/dbraw/zinc/73/89/41/835738941.db2.gz QRAGUXUKUDLKFN-GOSISDBHSA-N 2 2 393.535 3.836 20 0 GHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cn(Cc3ccccc3)nc1-c1ccccc1)C2 ZINC000584320705 835875464 /nfs/dbraw/zinc/87/54/64/835875464.db2.gz IJTZXSAWXCZRRU-NRFANRHFSA-N 2 2 383.499 3.969 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC[C@H]21 ZINC000584377994 835944177 /nfs/dbraw/zinc/94/41/77/835944177.db2.gz OXPZRUAUDMOGNF-VQIMIIECSA-N 2 2 378.442 3.807 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC[C@H]21 ZINC000584377994 835944181 /nfs/dbraw/zinc/94/41/81/835944181.db2.gz OXPZRUAUDMOGNF-VQIMIIECSA-N 2 2 378.442 3.807 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC[C@H]21 ZINC000584377994 835944188 /nfs/dbraw/zinc/94/41/88/835944188.db2.gz OXPZRUAUDMOGNF-VQIMIIECSA-N 2 2 378.442 3.807 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC[C@H]21 ZINC000584377994 835944194 /nfs/dbraw/zinc/94/41/94/835944194.db2.gz OXPZRUAUDMOGNF-VQIMIIECSA-N 2 2 378.442 3.807 20 0 GHADLP Cc1cc(C)c(NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)c1 ZINC000278746593 835946447 /nfs/dbraw/zinc/94/64/47/835946447.db2.gz AOILTWASCSRHIR-UHFFFAOYSA-N 2 2 380.536 3.963 20 0 GHADLP C[NH+]1CCN(CCC[NH2+][C@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1 ZINC000180017776 836022058 /nfs/dbraw/zinc/02/20/58/836022058.db2.gz KQDSJDYEYJSJNZ-OAQYLSRUSA-N 2 2 393.909 3.935 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000471229951 836051238 /nfs/dbraw/zinc/05/12/38/836051238.db2.gz INHAWPFZEMPCGR-QDSKXPNFSA-N 2 2 393.575 3.749 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000471229951 836051249 /nfs/dbraw/zinc/05/12/49/836051249.db2.gz INHAWPFZEMPCGR-QDSKXPNFSA-N 2 2 393.575 3.749 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000471229951 836051262 /nfs/dbraw/zinc/05/12/62/836051262.db2.gz INHAWPFZEMPCGR-QDSKXPNFSA-N 2 2 393.575 3.749 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000471229951 836051274 /nfs/dbraw/zinc/05/12/74/836051274.db2.gz INHAWPFZEMPCGR-QDSKXPNFSA-N 2 2 393.575 3.749 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1nnnn1-c1ccccc1 ZINC000173923702 836336789 /nfs/dbraw/zinc/33/67/89/836336789.db2.gz RIOHXHINLWYLMM-OALUTQOASA-N 2 2 390.535 3.888 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1nnnn1-c1ccccc1 ZINC000173923702 836336801 /nfs/dbraw/zinc/33/68/01/836336801.db2.gz RIOHXHINLWYLMM-OALUTQOASA-N 2 2 390.535 3.888 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccsc2Br)[C@@H](C)C1 ZINC000510927629 844160601 /nfs/dbraw/zinc/16/06/01/844160601.db2.gz IZVNXVXRPYTUDL-ZFWWWQNUSA-N 2 2 375.376 3.737 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccsc2Br)[C@@H](C)C1 ZINC000510927629 844160604 /nfs/dbraw/zinc/16/06/04/844160604.db2.gz IZVNXVXRPYTUDL-ZFWWWQNUSA-N 2 2 375.376 3.737 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000047571407 836422675 /nfs/dbraw/zinc/42/26/75/836422675.db2.gz PCPIHZXEYVHXFT-UHFFFAOYSA-N 2 2 381.524 3.614 20 0 GHADLP CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543987913 836583180 /nfs/dbraw/zinc/58/31/80/836583180.db2.gz OSPBMAFLWSSEPR-UHFFFAOYSA-N 2 2 382.552 3.813 20 0 GHADLP COc1cc2ccc(N3Cc4ccccc4C4(CC[NH2+]CC4)C3)[nH+]c2cc1OC ZINC001167161002 836734474 /nfs/dbraw/zinc/73/44/74/836734474.db2.gz PQBGGLBDIIHLAM-UHFFFAOYSA-N 2 2 389.499 3.893 20 0 GHADLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CCO1 ZINC000668784547 836759421 /nfs/dbraw/zinc/75/94/21/836759421.db2.gz FGIPXUFMALCUEY-QFIPXVFZSA-N 2 2 398.595 3.772 20 0 GHADLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CCO1 ZINC000668784547 836759425 /nfs/dbraw/zinc/75/94/25/836759425.db2.gz FGIPXUFMALCUEY-QFIPXVFZSA-N 2 2 398.595 3.772 20 0 GHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000376179582 837177710 /nfs/dbraw/zinc/17/77/10/837177710.db2.gz BDKKABFNDXDFCS-UHFFFAOYSA-N 2 2 392.434 3.749 20 0 GHADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1Cn1cccn1 ZINC000177807022 837231838 /nfs/dbraw/zinc/23/18/38/837231838.db2.gz AXAHRSDZMWCTTB-SFHVURJKSA-N 2 2 387.487 3.977 20 0 GHADLP O=C1Nc2ccccc2CC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000655790391 837905828 /nfs/dbraw/zinc/90/58/28/837905828.db2.gz AXSSBRDDVLKHHT-RBBKRZOGSA-N 2 2 375.516 3.727 20 0 GHADLP O=C1Nc2ccccc2CC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000655790391 837905835 /nfs/dbraw/zinc/90/58/35/837905835.db2.gz AXSSBRDDVLKHHT-RBBKRZOGSA-N 2 2 375.516 3.727 20 0 GHADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000655791569 837917204 /nfs/dbraw/zinc/91/72/04/837917204.db2.gz PCWPPACCMHSCHS-FDDCHVKYSA-N 2 2 377.532 3.625 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3csc(C(F)(F)F)n3)CC2)cc1 ZINC000893081853 837994308 /nfs/dbraw/zinc/99/43/08/837994308.db2.gz PPRUKZWRSUSSTR-UHFFFAOYSA-N 2 2 384.471 3.987 20 0 GHADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1OCc1ccncc1 ZINC000655856338 838075453 /nfs/dbraw/zinc/07/54/53/838075453.db2.gz MUWMTXSUSVRXKT-LEWJYISDSA-N 2 2 381.520 3.776 20 0 GHADLP COc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1OCc1ccncc1 ZINC000655856338 838075466 /nfs/dbraw/zinc/07/54/66/838075466.db2.gz MUWMTXSUSVRXKT-LEWJYISDSA-N 2 2 381.520 3.776 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000237050569 844298495 /nfs/dbraw/zinc/29/84/95/844298495.db2.gz JGEPNQVQKAEARK-MSOLQXFVSA-N 2 2 378.923 3.995 20 0 GHADLP [NH3+][C@H](CCC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000168591258 838546705 /nfs/dbraw/zinc/54/67/05/838546705.db2.gz LBEXPZXOOYFBKE-LAUBAEHRSA-N 2 2 387.474 3.526 20 0 GHADLP [NH3+][C@H](CCC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000168591258 838546709 /nfs/dbraw/zinc/54/67/09/838546709.db2.gz LBEXPZXOOYFBKE-LAUBAEHRSA-N 2 2 387.474 3.526 20 0 GHADLP COc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C(C)C)c(Br)c1 ZINC000580132875 838941009 /nfs/dbraw/zinc/94/10/09/838941009.db2.gz HRDRLSSBENPJDJ-SCLBCKFNSA-N 2 2 378.314 3.956 20 0 GHADLP C[C@H](CCNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[N@H+](C)Cc1ccccc1 ZINC000472981260 839062383 /nfs/dbraw/zinc/06/23/83/839062383.db2.gz YFKINLPDPGNADW-LJQANCHMSA-N 2 2 391.519 3.582 20 0 GHADLP C[C@H](CCNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[N@@H+](C)Cc1ccccc1 ZINC000472981260 839062390 /nfs/dbraw/zinc/06/23/90/839062390.db2.gz YFKINLPDPGNADW-LJQANCHMSA-N 2 2 391.519 3.582 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000683896702 839354189 /nfs/dbraw/zinc/35/41/89/839354189.db2.gz RQTXBWLRZHHSAA-SJORKVTESA-N 2 2 385.483 3.638 20 0 GHADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000472764598 839491456 /nfs/dbraw/zinc/49/14/56/839491456.db2.gz OVAVRLNSGDUNQR-IBGZPJMESA-N 2 2 378.948 3.754 20 0 GHADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000472764598 839491458 /nfs/dbraw/zinc/49/14/58/839491458.db2.gz OVAVRLNSGDUNQR-IBGZPJMESA-N 2 2 378.948 3.754 20 0 GHADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000472764598 839491460 /nfs/dbraw/zinc/49/14/60/839491460.db2.gz OVAVRLNSGDUNQR-IBGZPJMESA-N 2 2 378.948 3.754 20 0 GHADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000472764598 839491462 /nfs/dbraw/zinc/49/14/62/839491462.db2.gz OVAVRLNSGDUNQR-IBGZPJMESA-N 2 2 378.948 3.754 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3ccn4c(C)c[nH+]c4c3)C2)s1 ZINC000565205250 839886559 /nfs/dbraw/zinc/88/65/59/839886559.db2.gz RXOKGHNAVYKWQE-KRWDZBQOSA-N 2 2 382.533 3.607 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ccn4c(C)c[nH+]c4c3)C2)s1 ZINC000565205250 839886569 /nfs/dbraw/zinc/88/65/69/839886569.db2.gz RXOKGHNAVYKWQE-KRWDZBQOSA-N 2 2 382.533 3.607 20 0 GHADLP Cc1ccc(-c2ncc(CN(C)CC[N@H+](C)C3CC[NH+](C)CC3)s2)cc1C ZINC000656262597 839914657 /nfs/dbraw/zinc/91/46/57/839914657.db2.gz WZHYXNDSYXOSLI-UHFFFAOYSA-N 2 2 386.609 3.885 20 0 GHADLP Cc1ccc(-c2ncc(CN(C)CC[N@@H+](C)C3CC[NH+](C)CC3)s2)cc1C ZINC000656262597 839914665 /nfs/dbraw/zinc/91/46/65/839914665.db2.gz WZHYXNDSYXOSLI-UHFFFAOYSA-N 2 2 386.609 3.885 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccsc1 ZINC000431904402 840186559 /nfs/dbraw/zinc/18/65/59/840186559.db2.gz XXBSYWSBJXMEFW-OAQYLSRUSA-N 2 2 396.560 3.735 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418486679 840307499 /nfs/dbraw/zinc/30/74/99/840307499.db2.gz JMFJFGIOMMOBPE-NRFANRHFSA-N 2 2 393.535 3.720 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418494513 840319629 /nfs/dbraw/zinc/31/96/29/840319629.db2.gz SHLPYPAZKVOVJJ-SFHVURJKSA-N 2 2 395.551 3.549 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)[C@@H]2CCCN(CC(F)(F)F)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000684093114 840323062 /nfs/dbraw/zinc/32/30/62/840323062.db2.gz KESNGSCUOFUUEJ-BHIYHBOVSA-N 2 2 397.485 3.525 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)[C@@H]2CCCN(CC(F)(F)F)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000684093114 840323076 /nfs/dbraw/zinc/32/30/76/840323076.db2.gz KESNGSCUOFUUEJ-BHIYHBOVSA-N 2 2 397.485 3.525 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)[C@@H]2CCCN(CC(F)(F)F)C2=O)CC[NH+]1Cc1ccccc1 ZINC000684093114 840323090 /nfs/dbraw/zinc/32/30/90/840323090.db2.gz KESNGSCUOFUUEJ-BHIYHBOVSA-N 2 2 397.485 3.525 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)[C@@H]2CCCN(CC(F)(F)F)C2=O)CC[NH+]1Cc1ccccc1 ZINC000684093114 840323102 /nfs/dbraw/zinc/32/31/02/840323102.db2.gz KESNGSCUOFUUEJ-BHIYHBOVSA-N 2 2 397.485 3.525 20 0 GHADLP C[C@H](CC[NH2+][C@H](CO)c1ccc(Cl)cc1)[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000580920335 840426710 /nfs/dbraw/zinc/42/67/10/840426710.db2.gz GFNQYZAZONRIGR-XMCHAPAWSA-N 2 2 397.346 3.718 20 0 GHADLP C[NH+](C)Cc1ccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000043517230 840825117 /nfs/dbraw/zinc/82/51/17/840825117.db2.gz QCJDQTNUHFIAQE-UHFFFAOYSA-N 2 2 387.553 3.512 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cs2)cc1OC ZINC000430544966 840968783 /nfs/dbraw/zinc/96/87/83/840968783.db2.gz AQANXLMJGZYWCL-ZBFHGGJFSA-N 2 2 375.538 3.777 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cs2)cc1OC ZINC000430544966 840968790 /nfs/dbraw/zinc/96/87/90/840968790.db2.gz AQANXLMJGZYWCL-ZBFHGGJFSA-N 2 2 375.538 3.777 20 0 GHADLP O=C(NC1CC1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000123666903 841007014 /nfs/dbraw/zinc/00/70/14/841007014.db2.gz MGGXEHUAFYIUIW-QHCPKHFHSA-N 2 2 395.522 3.921 20 0 GHADLP [NH3+]CCCOC1CC[NH+](CC(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000430568930 841155687 /nfs/dbraw/zinc/15/56/87/841155687.db2.gz DHTHZYKHUFBCCY-UHFFFAOYSA-N 2 2 399.560 3.606 20 0 GHADLP C[NH+](C)[C@@H]1CCC[NH+](Cc2cccc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)c2)CC1 ZINC000277101467 844620793 /nfs/dbraw/zinc/62/07/93/844620793.db2.gz GOQBPYASSSXIAN-DNQXCXABSA-N 4 2 386.628 3.519 20 0 GHADLP C[NH+](C)[C@@H]1CCC[NH+](Cc2cccc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)c2)CC1 ZINC000277101467 844620798 /nfs/dbraw/zinc/62/07/98/844620798.db2.gz GOQBPYASSSXIAN-DNQXCXABSA-N 4 2 386.628 3.519 20 0 GHADLP FC(F)(F)Oc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1Br ZINC000319241110 841449924 /nfs/dbraw/zinc/44/99/24/841449924.db2.gz WSTIPLKHIBNYKF-UHFFFAOYSA-N 2 2 378.192 3.724 20 0 GHADLP Cc1ncccc1OC[C@H]1CCC[NH+]1Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000418143525 841563449 /nfs/dbraw/zinc/56/34/49/841563449.db2.gz PZLKFESCGNOTKH-QGZVFWFLSA-N 2 2 386.565 3.656 20 0 GHADLP Cc1ncccc1OC[C@H]1CCC[NH+]1Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000418143525 841563465 /nfs/dbraw/zinc/56/34/65/841563465.db2.gz PZLKFESCGNOTKH-QGZVFWFLSA-N 2 2 386.565 3.656 20 0 GHADLP Cc1ncccc1OC[C@H]1CCC[N@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000418143525 841563473 /nfs/dbraw/zinc/56/34/73/841563473.db2.gz PZLKFESCGNOTKH-QGZVFWFLSA-N 2 2 386.565 3.656 20 0 GHADLP Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000418143525 841563483 /nfs/dbraw/zinc/56/34/83/841563483.db2.gz PZLKFESCGNOTKH-QGZVFWFLSA-N 2 2 386.565 3.656 20 0 GHADLP Cc1cc2c(s1)N(c1ccc(OC3C[NH2+]C3)cn1)c1ccccc1NC2=[NH2+] ZINC001167469651 841655416 /nfs/dbraw/zinc/65/54/16/841655416.db2.gz RPLWQFZIMPFGDA-UHFFFAOYSA-N 2 2 377.473 3.622 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc3nc(C)ccc3c2)cc1F ZINC000656790326 841929885 /nfs/dbraw/zinc/92/98/85/841929885.db2.gz VFCVJCXBWDWCBB-UGKGYDQZSA-N 2 2 379.479 3.926 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)o1 ZINC000047669510 842006700 /nfs/dbraw/zinc/00/67/00/842006700.db2.gz DNCLWUQADCLIDH-UHFFFAOYSA-N 2 2 387.499 3.609 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)o1 ZINC000047669510 842006713 /nfs/dbraw/zinc/00/67/13/842006713.db2.gz DNCLWUQADCLIDH-UHFFFAOYSA-N 2 2 387.499 3.609 20 0 GHADLP Brc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)nc1 ZINC000278916338 842008191 /nfs/dbraw/zinc/00/81/91/842008191.db2.gz QYUDRFQEMFHQAH-UHFFFAOYSA-N 2 2 375.314 3.757 20 0 GHADLP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000661856394 842244070 /nfs/dbraw/zinc/24/40/70/842244070.db2.gz SQJIYRUOHLTZEL-IBGZPJMESA-N 2 2 399.583 3.515 20 0 GHADLP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000661856394 842244081 /nfs/dbraw/zinc/24/40/81/842244081.db2.gz SQJIYRUOHLTZEL-IBGZPJMESA-N 2 2 399.583 3.515 20 0 GHADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000177979858 861291701 /nfs/dbraw/zinc/29/17/01/861291701.db2.gz QHAQYXLWBBNWTA-RDPSFJRHSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000177979858 861291708 /nfs/dbraw/zinc/29/17/08/861291708.db2.gz QHAQYXLWBBNWTA-RDPSFJRHSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000177979858 861291717 /nfs/dbraw/zinc/29/17/17/861291717.db2.gz QHAQYXLWBBNWTA-RDPSFJRHSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000177979858 861291727 /nfs/dbraw/zinc/29/17/27/861291727.db2.gz QHAQYXLWBBNWTA-RDPSFJRHSA-N 3 2 380.580 3.922 20 0 GHADLP Clc1ccc(N2CCO[C@@H](C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)cc1 ZINC000623655093 861298850 /nfs/dbraw/zinc/29/88/50/861298850.db2.gz OIEHLTCGNNNOIC-SFHVURJKSA-N 2 2 388.924 3.582 20 0 GHADLP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352448 842341658 /nfs/dbraw/zinc/34/16/58/842341658.db2.gz ZQKMODPYHKBLCS-KWOQKUFVSA-N 2 2 393.531 3.826 20 0 GHADLP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352448 842341667 /nfs/dbraw/zinc/34/16/67/842341667.db2.gz ZQKMODPYHKBLCS-KWOQKUFVSA-N 2 2 393.531 3.826 20 0 GHADLP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000329378258 861351101 /nfs/dbraw/zinc/35/11/01/861351101.db2.gz MLGOYXGBZLVXSY-LJQANCHMSA-N 2 2 395.551 3.862 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(Nc3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000050954588 842859589 /nfs/dbraw/zinc/85/95/89/842859589.db2.gz SRXBDHPITJCTSY-UHFFFAOYSA-N 2 2 376.854 3.724 20 0 GHADLP C[C@@H](CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000430759519 842944400 /nfs/dbraw/zinc/94/44/00/842944400.db2.gz YGCJOSKZAXHMNB-KXBFYZLASA-N 2 2 395.950 3.758 20 0 GHADLP Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)Cc1cccc2c1CC[NH2+]C2 ZINC000662257126 843027413 /nfs/dbraw/zinc/02/74/13/843027413.db2.gz QDNHYVNONMZEDZ-UHFFFAOYSA-N 2 2 380.492 3.744 20 0 GHADLP Cc1cccc([C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c2cccc(F)c2)c1 ZINC000510658786 843145438 /nfs/dbraw/zinc/14/54/38/843145438.db2.gz VJEXJVUMPNGIBF-GOTSBHOMSA-N 2 2 397.538 3.756 20 0 GHADLP Cc1cccc([C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c2cccc(F)c2)c1 ZINC000510658786 843145447 /nfs/dbraw/zinc/14/54/47/843145447.db2.gz VJEXJVUMPNGIBF-GOTSBHOMSA-N 2 2 397.538 3.756 20 0 GHADLP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000430902148 843156997 /nfs/dbraw/zinc/15/69/97/843156997.db2.gz XAJGOTJPPOZDGQ-ZWKOTPCHSA-N 2 2 394.523 3.559 20 0 GHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512256863 843245058 /nfs/dbraw/zinc/24/50/58/843245058.db2.gz CIGNIMBEMJKHIT-OOICKAIWSA-N 2 2 383.580 3.762 20 0 GHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512256863 843245066 /nfs/dbraw/zinc/24/50/66/843245066.db2.gz CIGNIMBEMJKHIT-OOICKAIWSA-N 2 2 383.580 3.762 20 0 GHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512256863 843245077 /nfs/dbraw/zinc/24/50/77/843245077.db2.gz CIGNIMBEMJKHIT-OOICKAIWSA-N 2 2 383.580 3.762 20 0 GHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512256863 843245087 /nfs/dbraw/zinc/24/50/87/843245087.db2.gz CIGNIMBEMJKHIT-OOICKAIWSA-N 2 2 383.580 3.762 20 0 GHADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344606 843255626 /nfs/dbraw/zinc/25/56/26/843255626.db2.gz CFVYZGUIIUAWEC-MRXNPFEDSA-N 2 2 385.533 3.750 20 0 GHADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344606 843255639 /nfs/dbraw/zinc/25/56/39/843255639.db2.gz CFVYZGUIIUAWEC-MRXNPFEDSA-N 2 2 385.533 3.750 20 0 GHADLP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512287666 843332166 /nfs/dbraw/zinc/33/21/66/843332166.db2.gz UWFLJWAYYRTOLD-SQJMNOBHSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512287666 843332176 /nfs/dbraw/zinc/33/21/76/843332176.db2.gz UWFLJWAYYRTOLD-SQJMNOBHSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512287666 843332186 /nfs/dbraw/zinc/33/21/86/843332186.db2.gz UWFLJWAYYRTOLD-SQJMNOBHSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512287666 843332196 /nfs/dbraw/zinc/33/21/96/843332196.db2.gz UWFLJWAYYRTOLD-SQJMNOBHSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512315378 843367126 /nfs/dbraw/zinc/36/71/26/843367126.db2.gz SRGCEBYXEMIHQN-HSZRJFAPSA-N 2 2 382.548 3.640 20 0 GHADLP Cc1cccc(C)c1OC[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512315378 843367136 /nfs/dbraw/zinc/36/71/36/843367136.db2.gz SRGCEBYXEMIHQN-HSZRJFAPSA-N 2 2 382.548 3.640 20 0 GHADLP CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278889850 843557711 /nfs/dbraw/zinc/55/77/11/843557711.db2.gz OBFAJRZIIRHNAL-QGZVFWFLSA-N 2 2 396.535 3.825 20 0 GHADLP Fc1cc(Br)ccc1[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000925777561 843684753 /nfs/dbraw/zinc/68/47/53/843684753.db2.gz POXLBCRURLOSNI-XHDPSFHLSA-N 2 2 377.248 3.874 20 0 GHADLP CN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC(C)(C)CC(C)(C)C1 ZINC000663876678 844723695 /nfs/dbraw/zinc/72/36/95/844723695.db2.gz KMPAMAJLYLKTPX-UHFFFAOYSA-N 2 2 392.632 3.791 20 0 GHADLP C(=C/c1ccccc1)\C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512658141 844926605 /nfs/dbraw/zinc/92/66/05/844926605.db2.gz OFUCKEYZQKFMTC-PQCQUMGKSA-N 2 2 376.548 3.629 20 0 GHADLP C(=C/c1ccccc1)\C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512658141 844926609 /nfs/dbraw/zinc/92/66/09/844926609.db2.gz OFUCKEYZQKFMTC-PQCQUMGKSA-N 2 2 376.548 3.629 20 0 GHADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3c(F)ccc(O)c3F)cc2)C[C@H](C)O1 ZINC000509790288 845409322 /nfs/dbraw/zinc/40/93/22/845409322.db2.gz XHBFHIHUVHJKCO-GJZGRUSLSA-N 2 2 376.447 3.569 20 0 GHADLP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001143425274 845504689 /nfs/dbraw/zinc/50/46/89/845504689.db2.gz IINAYEOUGATESL-UHFFFAOYSA-N 2 2 393.331 3.988 20 0 GHADLP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001143425274 845504696 /nfs/dbraw/zinc/50/46/96/845504696.db2.gz IINAYEOUGATESL-UHFFFAOYSA-N 2 2 393.331 3.988 20 0 GHADLP COC(=O)[C@H](c1ccsc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433163890 845549918 /nfs/dbraw/zinc/54/99/18/845549918.db2.gz CRIGDMXIQYGGTL-FQEVSTJZSA-N 2 2 384.545 3.950 20 0 GHADLP COC(=O)[C@H](c1ccsc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433163890 845549928 /nfs/dbraw/zinc/54/99/28/845549928.db2.gz CRIGDMXIQYGGTL-FQEVSTJZSA-N 2 2 384.545 3.950 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000673750987 861581832 /nfs/dbraw/zinc/58/18/32/861581832.db2.gz YLLWHZDNVBPQLM-HXUWFJFHSA-N 2 2 382.895 3.618 20 0 GHADLP Fc1ccc(OC(F)F)c(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000657292715 845757727 /nfs/dbraw/zinc/75/77/27/845757727.db2.gz DUESQFJWTNKQOQ-UHFFFAOYSA-N 2 2 380.410 3.549 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000156946494 845783318 /nfs/dbraw/zinc/78/33/18/845783318.db2.gz MOCFIMJTNAJIPC-AUSIDOKSSA-N 2 2 379.548 3.873 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000156946494 845783325 /nfs/dbraw/zinc/78/33/25/845783325.db2.gz MOCFIMJTNAJIPC-AUSIDOKSSA-N 2 2 379.548 3.873 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C(=O)N(C)C)c2)CC[NH+]1Cc1ccccc1 ZINC000156946494 845783329 /nfs/dbraw/zinc/78/33/29/845783329.db2.gz MOCFIMJTNAJIPC-AUSIDOKSSA-N 2 2 379.548 3.873 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C(=O)N(C)C)c2)CC[NH+]1Cc1ccccc1 ZINC000156946494 845783332 /nfs/dbraw/zinc/78/33/32/845783332.db2.gz MOCFIMJTNAJIPC-AUSIDOKSSA-N 2 2 379.548 3.873 20 0 GHADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548664320 846229669 /nfs/dbraw/zinc/22/96/69/846229669.db2.gz APPIHVVTOXQODK-WBVHZDCISA-N 2 2 386.927 3.998 20 0 GHADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548664320 846229679 /nfs/dbraw/zinc/22/96/79/846229679.db2.gz APPIHVVTOXQODK-WBVHZDCISA-N 2 2 386.927 3.998 20 0 GHADLP CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000179695699 861713299 /nfs/dbraw/zinc/71/32/99/861713299.db2.gz MUIVKLGZXLYIGL-QHCPKHFHSA-N 2 2 394.563 3.507 20 0 GHADLP CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000179695699 861713301 /nfs/dbraw/zinc/71/33/01/861713301.db2.gz MUIVKLGZXLYIGL-QHCPKHFHSA-N 2 2 394.563 3.507 20 0 GHADLP CC[C@@H](c1ccncc1)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000179695699 861713304 /nfs/dbraw/zinc/71/33/04/861713304.db2.gz MUIVKLGZXLYIGL-QHCPKHFHSA-N 2 2 394.563 3.507 20 0 GHADLP CC[C@@H](c1ccncc1)[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000179695699 861713309 /nfs/dbraw/zinc/71/33/09/861713309.db2.gz MUIVKLGZXLYIGL-QHCPKHFHSA-N 2 2 394.563 3.507 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3oc4c(c3C)c(C)ccc4C)CC2)CC1 ZINC000422008169 846746119 /nfs/dbraw/zinc/74/61/19/846746119.db2.gz OWSPVEJVWCNWTA-UHFFFAOYSA-N 2 2 397.563 3.990 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3oc4c(c3C)c(C)ccc4C)CC2)CC1 ZINC000422008169 846746126 /nfs/dbraw/zinc/74/61/26/846746126.db2.gz OWSPVEJVWCNWTA-UHFFFAOYSA-N 2 2 397.563 3.990 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(-c4ccccc4)o3)CC2)CC1 ZINC000422027736 846759086 /nfs/dbraw/zinc/75/90/86/846759086.db2.gz WTPNBMQKVIOZFQ-UHFFFAOYSA-N 2 2 381.520 3.579 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(-c4ccccc4)o3)CC2)CC1 ZINC000422027736 846759093 /nfs/dbraw/zinc/75/90/93/846759093.db2.gz WTPNBMQKVIOZFQ-UHFFFAOYSA-N 2 2 381.520 3.579 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)c3ccc(Cl)s3)CC2)CC1 ZINC000422016171 846768575 /nfs/dbraw/zinc/76/85/75/846768575.db2.gz HUGYUYDZLMQYRF-OAHLLOKOSA-N 2 2 383.989 3.524 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)c3ccc(Cl)s3)CC2)CC1 ZINC000422016171 846768580 /nfs/dbraw/zinc/76/85/80/846768580.db2.gz HUGYUYDZLMQYRF-OAHLLOKOSA-N 2 2 383.989 3.524 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3cccc4ccccc43)CC2)CC1 ZINC000422166326 846864649 /nfs/dbraw/zinc/86/46/49/846864649.db2.gz YCLFZXZOTICBLQ-UHFFFAOYSA-N 2 2 394.563 3.541 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3cccc4ccccc43)CC2)CC1 ZINC000422166326 846864658 /nfs/dbraw/zinc/86/46/58/846864658.db2.gz YCLFZXZOTICBLQ-UHFFFAOYSA-N 2 2 394.563 3.541 20 0 GHADLP CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000272262571 847032285 /nfs/dbraw/zinc/03/22/85/847032285.db2.gz KHWHKIFZUMDYHQ-UHFFFAOYSA-N 2 2 384.524 3.857 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000545912588 847033211 /nfs/dbraw/zinc/03/32/11/847033211.db2.gz YJMHEGOXZAOQIS-CQSZACIVSA-N 2 2 387.351 3.932 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000501608364 847043332 /nfs/dbraw/zinc/04/33/32/847043332.db2.gz RRUVCMXJKWWODZ-VQTJNVASSA-N 2 2 388.515 3.666 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000501608364 847043338 /nfs/dbraw/zinc/04/33/38/847043338.db2.gz RRUVCMXJKWWODZ-VQTJNVASSA-N 2 2 388.515 3.666 20 0 GHADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158507185 847044112 /nfs/dbraw/zinc/04/41/12/847044112.db2.gz ZYWQZDCQVWXWRH-OAHLLOKOSA-N 2 2 387.597 3.747 20 0 GHADLP C[C@H](c1nnc(SCC[C@@H]2CCCC[N@@H+]2C)n1-c1ccc(F)cc1)[NH+](C)C ZINC000501658203 847079326 /nfs/dbraw/zinc/07/93/26/847079326.db2.gz MHNLHSDSCGEHMA-WBVHZDCISA-N 2 2 391.560 3.996 20 0 GHADLP C[C@H](c1nnc(SCC[C@@H]2CCCC[N@H+]2C)n1-c1ccc(F)cc1)[NH+](C)C ZINC000501658203 847079330 /nfs/dbraw/zinc/07/93/30/847079330.db2.gz MHNLHSDSCGEHMA-WBVHZDCISA-N 2 2 391.560 3.996 20 0 GHADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3c(Br)cccc3C2)cc1 ZINC000420296077 847090048 /nfs/dbraw/zinc/09/00/48/847090048.db2.gz CZXDSZFBWQYSFQ-INIZCTEOSA-N 2 2 375.310 3.558 20 0 GHADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3c(Br)cccc3C2)cc1 ZINC000420296077 847090049 /nfs/dbraw/zinc/09/00/49/847090049.db2.gz CZXDSZFBWQYSFQ-INIZCTEOSA-N 2 2 375.310 3.558 20 0 GHADLP CCn1cc(Cl)cc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001268968207 847102572 /nfs/dbraw/zinc/10/25/72/847102572.db2.gz ZJNJUWPKTYAGHM-RTBURBONSA-N 2 2 394.991 3.571 20 0 GHADLP CCn1cc(Cl)cc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001268968207 847102579 /nfs/dbraw/zinc/10/25/79/847102579.db2.gz ZJNJUWPKTYAGHM-RTBURBONSA-N 2 2 394.991 3.571 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N(Cc1ccccc1)c1ccccc1 ZINC000420385090 847152576 /nfs/dbraw/zinc/15/25/76/847152576.db2.gz FEGYPQQYFCHNBE-JTHBVZDNSA-N 2 2 377.532 3.684 20 0 GHADLP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N(Cc1ccccc1)c1ccccc1 ZINC000420385090 847152579 /nfs/dbraw/zinc/15/25/79/847152579.db2.gz FEGYPQQYFCHNBE-JTHBVZDNSA-N 2 2 377.532 3.684 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)cc1OC ZINC000420409154 847172557 /nfs/dbraw/zinc/17/25/57/847172557.db2.gz WQLQTCSDHIPFLY-FUHWJXTLSA-N 2 2 387.549 3.791 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)cc1OC ZINC000420409154 847172565 /nfs/dbraw/zinc/17/25/65/847172565.db2.gz WQLQTCSDHIPFLY-FUHWJXTLSA-N 2 2 387.549 3.791 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1cccc2ccccc21 ZINC000647902065 847174769 /nfs/dbraw/zinc/17/47/69/847174769.db2.gz ZIRNOIWBRQGDKF-DWXLDPMZSA-N 2 2 379.548 3.870 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1cccc2ccccc21 ZINC000647902065 847174773 /nfs/dbraw/zinc/17/47/73/847174773.db2.gz ZIRNOIWBRQGDKF-DWXLDPMZSA-N 2 2 379.548 3.870 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000420911410 847531675 /nfs/dbraw/zinc/53/16/75/847531675.db2.gz GMNUZAOJGUCZDY-FDDCHVKYSA-N 2 2 384.495 3.620 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000420911410 847531687 /nfs/dbraw/zinc/53/16/87/847531687.db2.gz GMNUZAOJGUCZDY-FDDCHVKYSA-N 2 2 384.495 3.620 20 0 GHADLP c1ccc([C@H]2[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC23CCOCC3)cc1 ZINC000420973010 847600077 /nfs/dbraw/zinc/60/00/77/847600077.db2.gz MUUVVESQLVUAQK-XMMPIXPASA-N 2 2 392.543 3.873 20 0 GHADLP c1ccc([C@H]2[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC23CCOCC3)cc1 ZINC000420973010 847600086 /nfs/dbraw/zinc/60/00/86/847600086.db2.gz MUUVVESQLVUAQK-XMMPIXPASA-N 2 2 392.543 3.873 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3csc(Br)c3)CC2)CC1 ZINC000420976511 847604220 /nfs/dbraw/zinc/60/42/20/847604220.db2.gz HCVUKVNKPHLQJZ-UHFFFAOYSA-N 2 2 386.403 3.503 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3csc(Br)c3)CC2)CC1 ZINC000420976511 847604227 /nfs/dbraw/zinc/60/42/27/847604227.db2.gz HCVUKVNKPHLQJZ-UHFFFAOYSA-N 2 2 386.403 3.503 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000503403723 847667757 /nfs/dbraw/zinc/66/77/57/847667757.db2.gz DOJQVQFPZVNJJS-ZJOUEHCJSA-N 2 2 384.568 3.580 20 0 GHADLP O=C(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000503403723 847667763 /nfs/dbraw/zinc/66/77/63/847667763.db2.gz DOJQVQFPZVNJJS-ZJOUEHCJSA-N 2 2 384.568 3.580 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407231 847670404 /nfs/dbraw/zinc/67/04/04/847670404.db2.gz OXOXTMOKTUXMJF-GGPKGHCWSA-N 2 2 392.547 3.765 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407231 847670408 /nfs/dbraw/zinc/67/04/08/847670408.db2.gz OXOXTMOKTUXMJF-GGPKGHCWSA-N 2 2 392.547 3.765 20 0 GHADLP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503440154 847697545 /nfs/dbraw/zinc/69/75/45/847697545.db2.gz UFDYUPOFYYGAPX-LJQANCHMSA-N 2 2 398.526 3.587 20 0 GHADLP CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503440154 847697553 /nfs/dbraw/zinc/69/75/53/847697553.db2.gz UFDYUPOFYYGAPX-LJQANCHMSA-N 2 2 398.526 3.587 20 0 GHADLP Fc1ccc(-n2nccc2C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502323539 847736925 /nfs/dbraw/zinc/73/69/25/847736925.db2.gz WKIGXMSLFPJLGB-QGZVFWFLSA-N 2 2 379.483 3.924 20 0 GHADLP Fc1ccc(-n2nccc2C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502323538 847737077 /nfs/dbraw/zinc/73/70/77/847737077.db2.gz WKIGXMSLFPJLGB-KRWDZBQOSA-N 2 2 379.483 3.924 20 0 GHADLP CCC(CC)C(=O)N1CCC([NH2+][C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422726431 847799716 /nfs/dbraw/zinc/79/97/16/847799716.db2.gz ZWSCHDLNVNCIRW-FCHUYYIVSA-N 2 2 387.568 3.505 20 0 GHADLP FC(F)(F)Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000582692576 848042883 /nfs/dbraw/zinc/04/28/83/848042883.db2.gz CKSODMWFQWDIKQ-LJQANCHMSA-N 2 2 378.442 3.543 20 0 GHADLP FC(F)(F)Cn1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000582692576 848042886 /nfs/dbraw/zinc/04/28/86/848042886.db2.gz CKSODMWFQWDIKQ-LJQANCHMSA-N 2 2 378.442 3.543 20 0 GHADLP FC(F)(F)Cn1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000582692576 848042888 /nfs/dbraw/zinc/04/28/88/848042888.db2.gz CKSODMWFQWDIKQ-LJQANCHMSA-N 2 2 378.442 3.543 20 0 GHADLP FC(F)(F)Cn1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000582692576 848042891 /nfs/dbraw/zinc/04/28/91/848042891.db2.gz CKSODMWFQWDIKQ-LJQANCHMSA-N 2 2 378.442 3.543 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000079255892 848891896 /nfs/dbraw/zinc/89/18/96/848891896.db2.gz RWMYOEXQYXGYHN-UHFFFAOYSA-N 2 2 380.536 3.844 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000472275767 848912313 /nfs/dbraw/zinc/91/23/13/848912313.db2.gz JQQPEHGBUWVWBQ-HZPDHXFCSA-N 2 2 380.483 3.925 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000472275767 848912320 /nfs/dbraw/zinc/91/23/20/848912320.db2.gz JQQPEHGBUWVWBQ-HZPDHXFCSA-N 2 2 380.483 3.925 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000123129649 849064902 /nfs/dbraw/zinc/06/49/02/849064902.db2.gz HKZOTDFREDPASC-VDGAXYAQSA-N 2 2 388.556 3.642 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1ccnc2ccccc12)[C@@H]1CC12CC[NH2+]CC2 ZINC000583143887 849163130 /nfs/dbraw/zinc/16/31/30/849163130.db2.gz XILYFSYKYDNULM-OAQYLSRUSA-N 2 2 375.520 3.596 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1ccnc2ccccc12)[C@@H]1CC12CC[NH2+]CC2 ZINC000583143887 849163135 /nfs/dbraw/zinc/16/31/35/849163135.db2.gz XILYFSYKYDNULM-OAQYLSRUSA-N 2 2 375.520 3.596 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2cc(F)ccc2F)C2CCCC2)CC1 ZINC000434905698 849888457 /nfs/dbraw/zinc/88/84/57/849888457.db2.gz KHBDMURHYULQCW-UHFFFAOYSA-N 2 2 393.522 3.698 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)CC1 ZINC000434905698 849888463 /nfs/dbraw/zinc/88/84/63/849888463.db2.gz KHBDMURHYULQCW-UHFFFAOYSA-N 2 2 393.522 3.698 20 0 GHADLP COc1cc2[nH+]ccc(N3CC[C@@H](c4[nH+]ccn4C)C3)c2cc1Br ZINC000425244120 849896331 /nfs/dbraw/zinc/89/63/31/849896331.db2.gz GYYXPSGFSBJOPU-GFCCVEGCSA-N 2 2 387.281 3.733 20 0 GHADLP CN(C)c1ncc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000504164346 849941817 /nfs/dbraw/zinc/94/18/17/849941817.db2.gz WTAMGKURKNDRRK-UHFFFAOYSA-N 2 2 398.514 3.744 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434983044 849950700 /nfs/dbraw/zinc/95/07/00/849950700.db2.gz PARUAHIVKYLBAH-SFHVURJKSA-N 2 2 388.515 3.883 20 0 GHADLP CS(=O)(=O)c1cccc([C@@H]([NH2+]CCC[NH2+]C2CC2)c2ccc(Cl)cc2)c1 ZINC000423549035 849977239 /nfs/dbraw/zinc/97/72/39/849977239.db2.gz HFIHGBZNVFGDRE-FQEVSTJZSA-N 2 2 392.952 3.565 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2c(=O)[nH]1 ZINC000647933767 850028871 /nfs/dbraw/zinc/02/88/71/850028871.db2.gz IYDWCMBBPXVSLL-RXVVDRJESA-N 2 2 376.504 3.508 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2c(=O)[nH]1 ZINC000647933767 850028879 /nfs/dbraw/zinc/02/88/79/850028879.db2.gz IYDWCMBBPXVSLL-RXVVDRJESA-N 2 2 376.504 3.508 20 0 GHADLP CC(C)[C@@H](CC1CCCCC1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604331518 862089759 /nfs/dbraw/zinc/08/97/59/862089759.db2.gz RFKRSVVWJZVINB-FGZHOGPDSA-N 2 2 377.617 3.856 20 0 GHADLP CC(C)[C@@H](CC1CCCCC1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604331518 862089772 /nfs/dbraw/zinc/08/97/72/862089772.db2.gz RFKRSVVWJZVINB-FGZHOGPDSA-N 2 2 377.617 3.856 20 0 GHADLP CC(C)[C@@H]1C[C@@H](CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000426446381 850204052 /nfs/dbraw/zinc/20/40/52/850204052.db2.gz WXYXGBNMNWFCSF-CVDCTZTESA-N 2 2 385.596 3.788 20 0 GHADLP CC(C)[C@@H]1C[C@@H](CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000426446381 850204067 /nfs/dbraw/zinc/20/40/67/850204067.db2.gz WXYXGBNMNWFCSF-CVDCTZTESA-N 2 2 385.596 3.788 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)c1ccco1 ZINC000518891190 850287188 /nfs/dbraw/zinc/28/71/88/850287188.db2.gz OOGSXHACKRNQIH-PKOBYXMFSA-N 2 2 377.916 3.735 20 0 GHADLP CCOCc1cc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000435387228 850452829 /nfs/dbraw/zinc/45/28/29/850452829.db2.gz YLTBIBSQBTYERR-JOCHJYFZSA-N 2 2 383.536 3.771 20 0 GHADLP CCOCc1cc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000435387228 850452837 /nfs/dbraw/zinc/45/28/37/850452837.db2.gz YLTBIBSQBTYERR-JOCHJYFZSA-N 2 2 383.536 3.771 20 0 GHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)[C@@H](C)C1 ZINC000424428372 850462785 /nfs/dbraw/zinc/46/27/85/850462785.db2.gz SMHZAVGOPHZWMW-SFHVURJKSA-N 2 2 396.535 3.591 20 0 GHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)[C@@H](C)C1 ZINC000424428372 850462792 /nfs/dbraw/zinc/46/27/92/850462792.db2.gz SMHZAVGOPHZWMW-SFHVURJKSA-N 2 2 396.535 3.591 20 0 GHADLP Cn1ccnc1C[N@H+](Cc1ccccc1C(F)(F)F)[C@@H]1CC12CC[NH2+]CC2 ZINC000435422974 850503633 /nfs/dbraw/zinc/50/36/33/850503633.db2.gz NZSYNKNTBVJULZ-QGZVFWFLSA-N 2 2 378.442 3.583 20 0 GHADLP Cn1ccnc1C[N@@H+](Cc1ccccc1C(F)(F)F)[C@@H]1CC12CC[NH2+]CC2 ZINC000435422974 850503638 /nfs/dbraw/zinc/50/36/38/850503638.db2.gz NZSYNKNTBVJULZ-QGZVFWFLSA-N 2 2 378.442 3.583 20 0 GHADLP Cn1ccnc1C[N@H+](Cc1cccc(OC2CCCC2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435428531 850511727 /nfs/dbraw/zinc/51/17/27/850511727.db2.gz SPIYFEOUJZOTQD-QFIPXVFZSA-N 2 2 394.563 3.886 20 0 GHADLP Cn1ccnc1C[N@@H+](Cc1cccc(OC2CCCC2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435428531 850511734 /nfs/dbraw/zinc/51/17/34/850511734.db2.gz SPIYFEOUJZOTQD-QFIPXVFZSA-N 2 2 394.563 3.886 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784125 850744870 /nfs/dbraw/zinc/74/48/70/850744870.db2.gz BBPIMUFQGJLPNT-FQEVSTJZSA-N 2 2 390.959 3.685 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784125 850744882 /nfs/dbraw/zinc/74/48/82/850744882.db2.gz BBPIMUFQGJLPNT-FQEVSTJZSA-N 2 2 390.959 3.685 20 0 GHADLP Cn1ccnc1C[N@H+](CCOc1ccc2ccccc2c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435690319 850770806 /nfs/dbraw/zinc/77/08/06/850770806.db2.gz ALUXOGCNUKCARR-QFIPXVFZSA-N 2 2 390.531 3.596 20 0 GHADLP Cn1ccnc1C[N@@H+](CCOc1ccc2ccccc2c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435690319 850770816 /nfs/dbraw/zinc/77/08/16/850770816.db2.gz ALUXOGCNUKCARR-QFIPXVFZSA-N 2 2 390.531 3.596 20 0 GHADLP CCn1ccnc1C[N@H+](CCOc1ccccc1Cl)[C@@H]1CC12CC[NH2+]CC2 ZINC000435691356 850771731 /nfs/dbraw/zinc/77/17/31/850771731.db2.gz DMFAZQBJQVRRHE-LJQANCHMSA-N 2 2 388.943 3.580 20 0 GHADLP CCn1ccnc1C[N@@H+](CCOc1ccccc1Cl)[C@@H]1CC12CC[NH2+]CC2 ZINC000435691356 850771739 /nfs/dbraw/zinc/77/17/39/850771739.db2.gz DMFAZQBJQVRRHE-LJQANCHMSA-N 2 2 388.943 3.580 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@H](c4ccnn4C)C3)CC2)c1 ZINC000515204568 850783581 /nfs/dbraw/zinc/78/35/81/850783581.db2.gz UYMDUDRHEBRBPH-FCHUYYIVSA-N 2 2 395.595 3.557 20 0 GHADLP [NH3+]CCCC[C@H]([NH2+][C@@H]1CCc2cc(F)ccc2C1)C(=O)OCc1ccccc1 ZINC001168406611 850861981 /nfs/dbraw/zinc/86/19/81/850861981.db2.gz IBGTUICYTXJDSH-YADHBBJMSA-N 2 2 384.495 3.514 20 0 GHADLP CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)sc2C1 ZINC000425073175 851024704 /nfs/dbraw/zinc/02/47/04/851024704.db2.gz ALPIKDJXVNAVGC-UHFFFAOYSA-N 2 2 395.532 3.797 20 0 GHADLP CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)sc2C1 ZINC000425073175 851024711 /nfs/dbraw/zinc/02/47/11/851024711.db2.gz ALPIKDJXVNAVGC-UHFFFAOYSA-N 2 2 395.532 3.797 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccccc1 ZINC000515505827 851126349 /nfs/dbraw/zinc/12/63/49/851126349.db2.gz UBLRQPCTLQKWRA-FQEVSTJZSA-N 2 2 382.895 3.835 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccccc1 ZINC000515505827 851126358 /nfs/dbraw/zinc/12/63/58/851126358.db2.gz UBLRQPCTLQKWRA-FQEVSTJZSA-N 2 2 382.895 3.835 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)N1CCC[C@H]2CCCC[C@H]21 ZINC000434679811 851448501 /nfs/dbraw/zinc/44/85/01/851448501.db2.gz QQUOAGSIFUYIII-WIYYLYMNSA-N 2 2 384.568 3.580 20 0 GHADLP Ic1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167969894 851450733 /nfs/dbraw/zinc/45/07/33/851450733.db2.gz HOARKXAQLMUGRU-ALOPSCKCSA-N 2 2 396.316 3.786 20 0 GHADLP Ic1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969894 851450738 /nfs/dbraw/zinc/45/07/38/851450738.db2.gz HOARKXAQLMUGRU-ALOPSCKCSA-N 2 2 396.316 3.786 20 0 GHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 ZINC000414850475 851478863 /nfs/dbraw/zinc/47/88/63/851478863.db2.gz SIOFTELSGPRTMS-IBGZPJMESA-N 2 2 378.476 3.718 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425146613 851511310 /nfs/dbraw/zinc/51/13/10/851511310.db2.gz PTZIUPDTVKNIIY-JYRKZWEQSA-N 2 2 380.536 3.796 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425146613 851511312 /nfs/dbraw/zinc/51/13/12/851511312.db2.gz PTZIUPDTVKNIIY-JYRKZWEQSA-N 2 2 380.536 3.796 20 0 GHADLP CC1(C)C[NH+](CCOCC[N@H+]2CC(C)(C)[C@H]2c2cccnc2)[C@@H]1c1cccnc1 ZINC000664825031 851597489 /nfs/dbraw/zinc/59/74/89/851597489.db2.gz ZSRYVKPPTBXYCP-FGZHOGPDSA-N 2 2 394.563 3.959 20 0 GHADLP CC1(C)C[NH+](CCOCC[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)[C@@H]1c1cccnc1 ZINC000664825031 851597491 /nfs/dbraw/zinc/59/74/91/851597491.db2.gz ZSRYVKPPTBXYCP-FGZHOGPDSA-N 2 2 394.563 3.959 20 0 GHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000303441662 851624333 /nfs/dbraw/zinc/62/43/33/851624333.db2.gz FWHCEJXOMMEWHM-HXUWFJFHSA-N 2 2 380.879 3.763 20 0 GHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000303441662 851624336 /nfs/dbraw/zinc/62/43/36/851624336.db2.gz FWHCEJXOMMEWHM-HXUWFJFHSA-N 2 2 380.879 3.763 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1ccccc1Br)c1cccc(-n2cc[nH+]c2)c1 ZINC000180670454 862276749 /nfs/dbraw/zinc/27/67/49/862276749.db2.gz AAKNDLCXVWDBDA-CQSZACIVSA-N 2 2 399.292 3.924 20 0 GHADLP Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000488998550 851916345 /nfs/dbraw/zinc/91/63/45/851916345.db2.gz XJWDYZPBGXJWPQ-RTBURBONSA-N 2 2 383.580 3.651 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCCCCCOc3ccccc3)[nH+]c2)CC1 ZINC000438182882 852100198 /nfs/dbraw/zinc/10/01/98/852100198.db2.gz VBRSFVNBDYLJBA-UHFFFAOYSA-N 2 2 382.552 3.695 20 0 GHADLP C[NH+](CCC[N@@H+](C)C[C@H]1OCCc2ccccc21)C[C@H]1OCCc2ccccc21 ZINC000517630447 852203781 /nfs/dbraw/zinc/20/37/81/852203781.db2.gz BPZIHTFGEOAYNA-JWQCQUIFSA-N 2 2 394.559 3.868 20 0 GHADLP C[NH+](CCC[N@H+](C)C[C@H]1OCCc2ccccc21)C[C@H]1OCCc2ccccc21 ZINC000517630447 852203790 /nfs/dbraw/zinc/20/37/90/852203790.db2.gz BPZIHTFGEOAYNA-JWQCQUIFSA-N 2 2 394.559 3.868 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000489358125 852266136 /nfs/dbraw/zinc/26/61/36/852266136.db2.gz MRHYAXZHUKLHQF-OBXNSHGQSA-N 2 2 386.584 3.703 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000489358125 852266140 /nfs/dbraw/zinc/26/61/40/852266140.db2.gz MRHYAXZHUKLHQF-OBXNSHGQSA-N 2 2 386.584 3.703 20 0 GHADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)CCCO2 ZINC000489550872 852437104 /nfs/dbraw/zinc/43/71/04/852437104.db2.gz KVHHRWDNQGNOQC-NHCUHLMSSA-N 2 2 387.568 3.556 20 0 GHADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)CCCO2 ZINC000489550872 852437108 /nfs/dbraw/zinc/43/71/08/852437108.db2.gz KVHHRWDNQGNOQC-NHCUHLMSSA-N 2 2 387.568 3.556 20 0 GHADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)CCCO2 ZINC000489550870 852437321 /nfs/dbraw/zinc/43/73/21/852437321.db2.gz KVHHRWDNQGNOQC-LEWJYISDSA-N 2 2 387.568 3.556 20 0 GHADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)CCCO2 ZINC000489550870 852437326 /nfs/dbraw/zinc/43/73/26/852437326.db2.gz KVHHRWDNQGNOQC-LEWJYISDSA-N 2 2 387.568 3.556 20 0 GHADLP CC(C)c1ccc2cc(C(=O)N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)[nH]c2c1 ZINC000732559781 862358100 /nfs/dbraw/zinc/35/81/00/862358100.db2.gz RCAYKEIWAFQIJI-FQEVSTJZSA-N 2 2 382.552 3.532 20 0 GHADLP CC(C)c1ccc2cc(C(=O)N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)[nH]c2c1 ZINC000732559781 862358117 /nfs/dbraw/zinc/35/81/17/862358117.db2.gz RCAYKEIWAFQIJI-FQEVSTJZSA-N 2 2 382.552 3.532 20 0 GHADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)NC1CC[NH+](CC2CC2)CC1 ZINC000425671282 852595346 /nfs/dbraw/zinc/59/53/46/852595346.db2.gz HOGCQAOFSDWQDT-UHFFFAOYSA-N 2 2 393.535 3.882 20 0 GHADLP [NH3+]CCC[N@@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)CC1CCCC1 ZINC000489854780 852609199 /nfs/dbraw/zinc/60/91/99/852609199.db2.gz FNUGXGOVTIMZDY-UHFFFAOYSA-N 2 2 386.565 3.665 20 0 GHADLP [NH3+]CCC[N@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)CC1CCCC1 ZINC000489854780 852609206 /nfs/dbraw/zinc/60/92/06/852609206.db2.gz FNUGXGOVTIMZDY-UHFFFAOYSA-N 2 2 386.565 3.665 20 0 GHADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000425676789 852618455 /nfs/dbraw/zinc/61/84/55/852618455.db2.gz TXSBAQAPLCJSTM-UXHICEINSA-N 2 2 379.508 3.635 20 0 GHADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000425676789 852618459 /nfs/dbraw/zinc/61/84/59/852618459.db2.gz TXSBAQAPLCJSTM-UXHICEINSA-N 2 2 379.508 3.635 20 0 GHADLP C[C@H]1[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000489956786 852672164 /nfs/dbraw/zinc/67/21/64/852672164.db2.gz NPDQEFMFEUFHNJ-OFVILXPXSA-N 2 2 377.576 3.946 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc(Cl)ccc1Cl ZINC000507248490 852706386 /nfs/dbraw/zinc/70/63/86/852706386.db2.gz VVCAOPUNYHYASU-OHRKKDJYSA-N 2 2 384.351 3.728 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc(Cl)ccc1Cl ZINC000507248490 852706387 /nfs/dbraw/zinc/70/63/87/852706387.db2.gz VVCAOPUNYHYASU-OHRKKDJYSA-N 2 2 384.351 3.728 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cn(-c2ccccc2)nn1 ZINC000507520917 853003382 /nfs/dbraw/zinc/00/33/82/853003382.db2.gz UGODZDVBFUOYGM-NEKRIBJYSA-N 2 2 387.531 3.829 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cn(-c2ccccc2)nn1 ZINC000507520917 853003389 /nfs/dbraw/zinc/00/33/89/853003389.db2.gz UGODZDVBFUOYGM-NEKRIBJYSA-N 2 2 387.531 3.829 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccncc1 ZINC000507634263 853129466 /nfs/dbraw/zinc/12/94/66/853129466.db2.gz FOFXYBWZUHQLRL-KRWDZBQOSA-N 2 2 392.469 3.963 20 0 GHADLP CC[C@@H](C(=O)NC[C@H](C)[NH+]1CCc2sccc2C1)[N@H+](C)Cc1ccccc1 ZINC000516939608 853180948 /nfs/dbraw/zinc/18/09/48/853180948.db2.gz HKVBBWIIFCRDKF-PXNSSMCTSA-N 2 2 385.577 3.522 20 0 GHADLP CC[C@@H](C(=O)NC[C@H](C)[NH+]1CCc2sccc2C1)[N@@H+](C)Cc1ccccc1 ZINC000516939608 853180952 /nfs/dbraw/zinc/18/09/52/853180952.db2.gz HKVBBWIIFCRDKF-PXNSSMCTSA-N 2 2 385.577 3.522 20 0 GHADLP CC[C@@H](C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)[NH+](C)Cc1ccccc1 ZINC000516939608 853180958 /nfs/dbraw/zinc/18/09/58/853180958.db2.gz HKVBBWIIFCRDKF-PXNSSMCTSA-N 2 2 385.577 3.522 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439018732 853207270 /nfs/dbraw/zinc/20/72/70/853207270.db2.gz CBMKDAHVONOFFD-KRWDZBQOSA-N 2 2 381.524 3.882 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439018732 853207274 /nfs/dbraw/zinc/20/72/74/853207274.db2.gz CBMKDAHVONOFFD-KRWDZBQOSA-N 2 2 381.524 3.882 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000290504623 853390344 /nfs/dbraw/zinc/39/03/44/853390344.db2.gz PHLSDWDWAHRBRN-UHFFFAOYSA-N 2 2 386.503 3.712 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000290504623 853390352 /nfs/dbraw/zinc/39/03/52/853390352.db2.gz PHLSDWDWAHRBRN-UHFFFAOYSA-N 2 2 386.503 3.712 20 0 GHADLP COc1ccc([C@@H](CNc2cc[nH+]c3c(OC)cccc23)[NH+](C)C)cc1OC ZINC000440649872 853471615 /nfs/dbraw/zinc/47/16/15/853471615.db2.gz HLDXQVMWERFMSY-GOSISDBHSA-N 2 2 381.476 3.975 20 0 GHADLP Cc1cc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cn2cc[nH+]c12 ZINC000519868076 853567310 /nfs/dbraw/zinc/56/73/10/853567310.db2.gz SRZRXZFHLVHKHO-UHFFFAOYSA-N 2 2 381.455 3.568 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c(C)c1 ZINC000440857294 853707379 /nfs/dbraw/zinc/70/73/79/853707379.db2.gz SFTNODSDKCCVFV-UNMCSNQZSA-N 2 2 397.567 3.518 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c(C)c1 ZINC000440857294 853707385 /nfs/dbraw/zinc/70/73/85/853707385.db2.gz SFTNODSDKCCVFV-UNMCSNQZSA-N 2 2 397.567 3.518 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NCc2ccc(F)cc2)c(C)c1 ZINC000441372103 854155873 /nfs/dbraw/zinc/15/58/73/854155873.db2.gz BFOLAFMTVGBYEK-GCJKJVERSA-N 2 2 394.494 3.675 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NCCc2ccccc2)c(C)c1 ZINC000441376730 854159784 /nfs/dbraw/zinc/15/97/84/854159784.db2.gz FNFFAIKIINKESJ-NFBKMPQASA-N 2 2 390.531 3.578 20 0 GHADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc(Br)ccc3F)CC2)C[C@@H](C)O1 ZINC000588709438 854368888 /nfs/dbraw/zinc/36/88/88/854368888.db2.gz BJGAYXNFDBNMDL-HUUCEWRRSA-N 2 2 399.348 3.909 20 0 GHADLP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000328650299 854490099 /nfs/dbraw/zinc/49/00/99/854490099.db2.gz JBYCSHGRNAXYAR-MJGOQNOKSA-N 2 2 380.536 3.988 20 0 GHADLP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000328650299 854490103 /nfs/dbraw/zinc/49/01/03/854490103.db2.gz JBYCSHGRNAXYAR-MJGOQNOKSA-N 2 2 380.536 3.988 20 0 GHADLP CCCCOc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000572374329 854492901 /nfs/dbraw/zinc/49/29/01/854492901.db2.gz FFGCCWDNXZKONM-QGZVFWFLSA-N 2 2 381.480 3.639 20 0 GHADLP CCCCOc1ccc(-c2nnc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000572374329 854492910 /nfs/dbraw/zinc/49/29/10/854492910.db2.gz FFGCCWDNXZKONM-QGZVFWFLSA-N 2 2 381.480 3.639 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(I)cc1 ZINC000589350002 854821685 /nfs/dbraw/zinc/82/16/85/854821685.db2.gz QRFORSNPURLWAV-KGLIPLIRSA-N 2 2 381.261 3.613 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3ccc(C[N@H+]4CCCC[C@@H]4C)cc3)[nH+]c12 ZINC000624579425 854915026 /nfs/dbraw/zinc/91/50/26/854915026.db2.gz WNCXVQMHKNPNGW-IBGZPJMESA-N 2 2 390.531 3.876 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3ccc(C[N@@H+]4CCCC[C@@H]4C)cc3)[nH+]c12 ZINC000624579425 854915035 /nfs/dbraw/zinc/91/50/35/854915035.db2.gz WNCXVQMHKNPNGW-IBGZPJMESA-N 2 2 390.531 3.876 20 0 GHADLP FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000624078445 862631293 /nfs/dbraw/zinc/63/12/93/862631293.db2.gz IVLHZAYKGAMAOB-VQIMIIECSA-N 2 2 377.410 3.575 20 0 GHADLP CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000520471318 855123797 /nfs/dbraw/zinc/12/37/97/855123797.db2.gz OHQXTHAIODWTIL-QGZVFWFLSA-N 2 2 381.524 3.740 20 0 GHADLP CCC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000520471318 855123802 /nfs/dbraw/zinc/12/38/02/855123802.db2.gz OHQXTHAIODWTIL-QGZVFWFLSA-N 2 2 381.524 3.740 20 0 GHADLP C[N@H+](Cc1cccc(-c2cccnc2)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190315214 855318775 /nfs/dbraw/zinc/31/87/75/855318775.db2.gz IKORABYNMPVWNG-RUZDIDTESA-N 2 2 387.527 3.817 20 0 GHADLP C[N@@H+](Cc1cccc(-c2cccnc2)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190315214 855318782 /nfs/dbraw/zinc/31/87/82/855318782.db2.gz IKORABYNMPVWNG-RUZDIDTESA-N 2 2 387.527 3.817 20 0 GHADLP C[NH+](Cc1cccc(-c2cccnc2)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190315214 855318788 /nfs/dbraw/zinc/31/87/88/855318788.db2.gz IKORABYNMPVWNG-RUZDIDTESA-N 2 2 387.527 3.817 20 0 GHADLP C[NH+](Cc1cccc(-c2cccnc2)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190315214 855318796 /nfs/dbraw/zinc/31/87/96/855318796.db2.gz IKORABYNMPVWNG-RUZDIDTESA-N 2 2 387.527 3.817 20 0 GHADLP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000590786514 855586523 /nfs/dbraw/zinc/58/65/23/855586523.db2.gz ZRVAREHQOIWTKX-HNNXBMFYSA-N 2 2 396.373 3.828 20 0 GHADLP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000590786514 855586524 /nfs/dbraw/zinc/58/65/24/855586524.db2.gz ZRVAREHQOIWTKX-HNNXBMFYSA-N 2 2 396.373 3.828 20 0 GHADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)nc[nH+]1 ZINC000474719882 855796649 /nfs/dbraw/zinc/79/66/49/855796649.db2.gz NHHAAXBHOGAJCY-PRLABOORSA-N 2 2 385.478 3.834 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000760841841 856159284 /nfs/dbraw/zinc/15/92/84/856159284.db2.gz ZYFSORUCPDFFOI-MZYLBHOOSA-N 2 2 383.580 3.764 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000760841841 856159290 /nfs/dbraw/zinc/15/92/90/856159290.db2.gz ZYFSORUCPDFFOI-MZYLBHOOSA-N 2 2 383.580 3.764 20 0 GHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+]([C@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000760841841 856159294 /nfs/dbraw/zinc/15/92/94/856159294.db2.gz ZYFSORUCPDFFOI-MZYLBHOOSA-N 2 2 383.580 3.764 20 0 GHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+]([C@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000760841841 856159300 /nfs/dbraw/zinc/15/93/00/856159300.db2.gz ZYFSORUCPDFFOI-MZYLBHOOSA-N 2 2 383.580 3.764 20 0 GHADLP [NH3+][C@H]1CC[C@H](N(Cc2ncc(Br)cc2F)c2cccc[nH+]2)CC1 ZINC000895116755 856226235 /nfs/dbraw/zinc/22/62/35/856226235.db2.gz SUTIMJKXKVAKPC-HDJSIYSDSA-N 2 2 379.277 3.655 20 0 GHADLP CCN(CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000765755763 856231552 /nfs/dbraw/zinc/23/15/52/856231552.db2.gz YYGOHAJDCBRYOQ-AZUAARDMSA-N 2 2 390.572 3.529 20 0 GHADLP CCN(CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000765755763 856231557 /nfs/dbraw/zinc/23/15/57/856231557.db2.gz YYGOHAJDCBRYOQ-AZUAARDMSA-N 2 2 390.572 3.529 20 0 GHADLP c1ccc([C@H]2C[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CCS2)cc1 ZINC000671682053 856364743 /nfs/dbraw/zinc/36/47/43/856364743.db2.gz CVTSBXHSTXYZAZ-HSZRJFAPSA-N 2 2 381.589 3.989 20 0 GHADLP c1ccc([C@H]2C[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CCS2)cc1 ZINC000671682053 856364751 /nfs/dbraw/zinc/36/47/51/856364751.db2.gz CVTSBXHSTXYZAZ-HSZRJFAPSA-N 2 2 381.589 3.989 20 0 GHADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cn(-c2ccccc2)nn1 ZINC000485390266 856431961 /nfs/dbraw/zinc/43/19/61/856431961.db2.gz YACZAJYYHMOUJC-IRFCIJBXSA-N 2 2 375.520 3.829 20 0 GHADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn(-c2ccccc2)nn1 ZINC000485390266 856431969 /nfs/dbraw/zinc/43/19/69/856431969.db2.gz YACZAJYYHMOUJC-IRFCIJBXSA-N 2 2 375.520 3.829 20 0 GHADLP CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465929898 857048539 /nfs/dbraw/zinc/04/85/39/857048539.db2.gz HTOPJCXNMVVWMR-SFTDATJTSA-N 2 2 392.632 3.841 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000056862257 857122241 /nfs/dbraw/zinc/12/22/41/857122241.db2.gz IEDOPQVOPZLDDU-JOCHJYFZSA-N 2 2 389.503 3.509 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCC[NH+]3C3CCCC3)n2)C1 ZINC000485885973 857192650 /nfs/dbraw/zinc/19/26/50/857192650.db2.gz YXVNUIOVPZKZLZ-MAUKXSAKSA-N 2 2 376.570 3.721 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCC[NH+]3C3CCCC3)n2)C1 ZINC000485885973 857192656 /nfs/dbraw/zinc/19/26/56/857192656.db2.gz YXVNUIOVPZKZLZ-MAUKXSAKSA-N 2 2 376.570 3.721 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)n2)C1 ZINC000485885973 857192657 /nfs/dbraw/zinc/19/26/57/857192657.db2.gz YXVNUIOVPZKZLZ-MAUKXSAKSA-N 2 2 376.570 3.721 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)n2)C1 ZINC000485885973 857192665 /nfs/dbraw/zinc/19/26/65/857192665.db2.gz YXVNUIOVPZKZLZ-MAUKXSAKSA-N 2 2 376.570 3.721 20 0 GHADLP Cc1cccc([C@H]2CCCCCN2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000605229986 862899275 /nfs/dbraw/zinc/89/92/75/862899275.db2.gz ZQXCLQIHDKSMGF-JTHBVZDNSA-N 2 2 398.595 3.790 20 0 GHADLP Cc1cccc([C@H]2CCCCCN2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000605229986 862899294 /nfs/dbraw/zinc/89/92/94/862899294.db2.gz ZQXCLQIHDKSMGF-JTHBVZDNSA-N 2 2 398.595 3.790 20 0 GHADLP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000058832724 857368654 /nfs/dbraw/zinc/36/86/54/857368654.db2.gz FSRDUSHNCLNYFI-QFIPXVFZSA-N 2 2 397.588 3.545 20 0 GHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000058832724 857368666 /nfs/dbraw/zinc/36/86/66/857368666.db2.gz FSRDUSHNCLNYFI-QFIPXVFZSA-N 2 2 397.588 3.545 20 0 GHADLP C[NH+]1CCN([C@H](C[NH2+]Cc2csc(C(C)(C)C)n2)c2cccs2)CC1 ZINC000520930736 857415522 /nfs/dbraw/zinc/41/55/22/857415522.db2.gz IYWVQABSPKKCIF-MRXNPFEDSA-N 2 2 378.611 3.580 20 0 GHADLP [NH3+]CC1CC[NH+](Cc2cc(F)c(Br)cc2Br)CC1 ZINC001205058143 857464811 /nfs/dbraw/zinc/46/48/11/857464811.db2.gz FALBZLMWLPULGN-UHFFFAOYSA-N 2 2 380.099 3.521 20 0 GHADLP Cc1cn2cc(NC(=O)N3C[C@@H](C)[N@@H+](Cc4ccccc4)C[C@H]3C)ccc2[nH+]1 ZINC000499580767 857575378 /nfs/dbraw/zinc/57/53/78/857575378.db2.gz WGJRRYDKFLZGIZ-QZTJIDSGSA-N 2 2 377.492 3.769 20 0 GHADLP Cc1cn2cc(NC(=O)N3C[C@@H](C)[N@H+](Cc4ccccc4)C[C@H]3C)ccc2[nH+]1 ZINC000499580767 857575385 /nfs/dbraw/zinc/57/53/85/857575385.db2.gz WGJRRYDKFLZGIZ-QZTJIDSGSA-N 2 2 377.492 3.769 20 0 GHADLP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000675918223 857665021 /nfs/dbraw/zinc/66/50/21/857665021.db2.gz FJKJFVUIURMVGE-LAUBAEHRSA-N 2 2 392.503 3.719 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000574321617 857700071 /nfs/dbraw/zinc/70/00/71/857700071.db2.gz GIQMHWXTLOMLKZ-UHFFFAOYSA-N 2 2 384.505 3.978 20 0 GHADLP CC(C)(CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[NH+]1CCCCC1 ZINC000131361213 857732387 /nfs/dbraw/zinc/73/23/87/857732387.db2.gz MTLXKSAPYHGVGO-NHCUHLMSSA-N 2 2 395.551 3.675 20 0 GHADLP CC[N@H+](CC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)C1CC1 ZINC000442844056 858178617 /nfs/dbraw/zinc/17/86/17/858178617.db2.gz UPGLYOUYXKNGNE-UHFFFAOYSA-N 2 2 392.906 3.579 20 0 GHADLP CC[N@@H+](CC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)C1CC1 ZINC000442844056 858178624 /nfs/dbraw/zinc/17/86/24/858178624.db2.gz UPGLYOUYXKNGNE-UHFFFAOYSA-N 2 2 392.906 3.579 20 0 GHADLP Cc1ccc(Nc2ccccc2C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000521656800 858212091 /nfs/dbraw/zinc/21/20/91/858212091.db2.gz LDTYBCHRBBDNLW-UHFFFAOYSA-N 2 2 394.563 3.837 20 0 GHADLP Cc1ccc(Nc2ccccc2C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000521656800 858212099 /nfs/dbraw/zinc/21/20/99/858212099.db2.gz LDTYBCHRBBDNLW-UHFFFAOYSA-N 2 2 394.563 3.837 20 0 GHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000428264195 858221450 /nfs/dbraw/zinc/22/14/50/858221450.db2.gz ZGKJFJVEYDPVHB-KRWDZBQOSA-N 2 2 380.458 3.724 20 0 GHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000428264195 858221459 /nfs/dbraw/zinc/22/14/59/858221459.db2.gz ZGKJFJVEYDPVHB-KRWDZBQOSA-N 2 2 380.458 3.724 20 0 GHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000428264195 858221462 /nfs/dbraw/zinc/22/14/62/858221462.db2.gz ZGKJFJVEYDPVHB-KRWDZBQOSA-N 2 2 380.458 3.724 20 0 GHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000428264195 858221471 /nfs/dbraw/zinc/22/14/71/858221471.db2.gz ZGKJFJVEYDPVHB-KRWDZBQOSA-N 2 2 380.458 3.724 20 0 GHADLP Clc1ccc([C@@H](Cc2cccnc2)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000574910882 858391718 /nfs/dbraw/zinc/39/17/18/858391718.db2.gz WBMLHEQQOOJZNL-OAQYLSRUSA-N 2 2 393.922 3.936 20 0 GHADLP CCC[NH+]1CCC([NH2+]Cc2nc3cc(Br)ccc3n2CC)CC1 ZINC000683001634 858492568 /nfs/dbraw/zinc/49/25/68/858492568.db2.gz VZOQGUMIMYVXPA-UHFFFAOYSA-N 2 2 379.346 3.783 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(C)c1 ZINC000575064527 858509523 /nfs/dbraw/zinc/50/95/23/858509523.db2.gz DSOHQTHSUUZGHZ-SJBKTWHCSA-N 2 2 395.551 3.509 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N(c1ccccc1)c1ccccc1 ZINC000181928952 863056993 /nfs/dbraw/zinc/05/69/93/863056993.db2.gz ABHWAABOQVNQID-UHFFFAOYSA-N 2 2 380.536 3.903 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N(c1ccccc1)c1ccccc1 ZINC000181928952 863057008 /nfs/dbraw/zinc/05/70/08/863057008.db2.gz ABHWAABOQVNQID-UHFFFAOYSA-N 2 2 380.536 3.903 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000522190083 858790503 /nfs/dbraw/zinc/79/05/03/858790503.db2.gz HCVGJCXPCFPDJV-DLBZAZTESA-N 2 2 398.378 3.581 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000522190083 858790509 /nfs/dbraw/zinc/79/05/09/858790509.db2.gz HCVGJCXPCFPDJV-DLBZAZTESA-N 2 2 398.378 3.581 20 0 GHADLP Cc1ccc(F)cc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183668327 858790608 /nfs/dbraw/zinc/79/06/08/858790608.db2.gz ZQHQIFSXNWHMJK-NHCUHLMSSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1ccc(F)cc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183668327 858790616 /nfs/dbraw/zinc/79/06/16/858790616.db2.gz ZQHQIFSXNWHMJK-NHCUHLMSSA-N 2 2 375.532 3.543 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC2)cc1 ZINC000474082467 858840275 /nfs/dbraw/zinc/84/02/75/858840275.db2.gz OTEGPBWJDSDYHM-UBFVSLLYSA-N 2 2 399.623 3.769 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)c2)C1 ZINC001170337446 881371479 /nfs/dbraw/zinc/37/14/79/881371479.db2.gz RIJGHHWIUYKGOD-DFXJHMEVSA-N 3 2 390.575 3.827 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)c2)C1 ZINC001170337446 881371499 /nfs/dbraw/zinc/37/14/99/881371499.db2.gz RIJGHHWIUYKGOD-DFXJHMEVSA-N 3 2 390.575 3.827 20 0 GHADLP [NH3+][C@@H]1CC[NH+](Cc2cccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2)C1 ZINC001170337446 881371519 /nfs/dbraw/zinc/37/15/19/881371519.db2.gz RIJGHHWIUYKGOD-DFXJHMEVSA-N 3 2 390.575 3.827 20 0 GHADLP [NH3+][C@@H]1CC[NH+](Cc2cccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2)C1 ZINC001170337446 881371538 /nfs/dbraw/zinc/37/15/38/881371538.db2.gz RIJGHHWIUYKGOD-DFXJHMEVSA-N 3 2 390.575 3.827 20 0 GHADLP COc1cc2c(cc1OC)[C@@H](Nc1ccc(N3CCC([NH+](C)C)CC3)c[nH+]1)CC2 ZINC000479429658 859071198 /nfs/dbraw/zinc/07/11/98/859071198.db2.gz WSZBNMXXCIZNIX-FQEVSTJZSA-N 2 2 396.535 3.729 20 0 GHADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000654435189 859138491 /nfs/dbraw/zinc/13/84/91/859138491.db2.gz LEXBFNYJPVZLRH-QGZVFWFLSA-N 2 2 376.504 3.633 20 0 GHADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000654435189 859138504 /nfs/dbraw/zinc/13/85/04/859138504.db2.gz LEXBFNYJPVZLRH-QGZVFWFLSA-N 2 2 376.504 3.633 20 0 GHADLP CC[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000648417437 859162569 /nfs/dbraw/zinc/16/25/69/859162569.db2.gz OCBOZFNIEDLCBH-AZUAARDMSA-N 2 2 399.501 3.765 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(-n2cncn2)cc1Cl ZINC000483152430 859183708 /nfs/dbraw/zinc/18/37/08/859183708.db2.gz IEHODVBPQVUMFX-HNNXBMFYSA-N 2 2 378.867 3.957 20 0 GHADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429423265 859337387 /nfs/dbraw/zinc/33/73/87/859337387.db2.gz ACESZAJMQFGWKD-KNQAVFIVSA-N 2 2 396.531 3.617 20 0 GHADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429423265 859337392 /nfs/dbraw/zinc/33/73/92/859337392.db2.gz ACESZAJMQFGWKD-KNQAVFIVSA-N 2 2 396.531 3.617 20 0 GHADLP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)s2)cn1 ZINC000509430412 859415253 /nfs/dbraw/zinc/41/52/53/859415253.db2.gz PASLJNWMZLKWFX-HXUWFJFHSA-N 2 2 396.560 3.529 20 0 GHADLP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)s2)cn1 ZINC000509430412 859415262 /nfs/dbraw/zinc/41/52/62/859415262.db2.gz PASLJNWMZLKWFX-HXUWFJFHSA-N 2 2 396.560 3.529 20 0 GHADLP CC[C@H](C)[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000483750332 859589341 /nfs/dbraw/zinc/58/93/41/859589341.db2.gz UOVSALXFOQTMBL-AVRDEDQJSA-N 2 2 394.003 3.813 20 0 GHADLP Cn1ncc(Br)c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000383665729 859676406 /nfs/dbraw/zinc/67/64/06/859676406.db2.gz MXUKBCSWFKLHPB-KRWDZBQOSA-N 2 2 391.357 3.575 20 0 GHADLP Cn1ncc(Br)c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000383665729 859676409 /nfs/dbraw/zinc/67/64/09/859676409.db2.gz MXUKBCSWFKLHPB-KRWDZBQOSA-N 2 2 391.357 3.575 20 0 GHADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000611276229 859677974 /nfs/dbraw/zinc/67/79/74/859677974.db2.gz GDBLDDAOWCRELB-KRWDZBQOSA-N 2 2 386.367 3.602 20 0 GHADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000611276229 859677982 /nfs/dbraw/zinc/67/79/82/859677982.db2.gz GDBLDDAOWCRELB-KRWDZBQOSA-N 2 2 386.367 3.602 20 0 GHADLP C[N@@H+](Cc1ccnn1-c1ccc(F)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000474279903 859756592 /nfs/dbraw/zinc/75/65/92/859756592.db2.gz YNFQYTKNQSBMAK-FQEVSTJZSA-N 2 2 378.495 3.965 20 0 GHADLP C[N@H+](Cc1ccnn1-c1ccc(F)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000474279903 859756600 /nfs/dbraw/zinc/75/66/00/859756600.db2.gz YNFQYTKNQSBMAK-FQEVSTJZSA-N 2 2 378.495 3.965 20 0 GHADLP C[NH+](Cc1ccnn1-c1ccc(F)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474279903 859756605 /nfs/dbraw/zinc/75/66/05/859756605.db2.gz YNFQYTKNQSBMAK-FQEVSTJZSA-N 2 2 378.495 3.965 20 0 GHADLP C[NH+](Cc1ccnn1-c1ccc(F)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474279903 859756611 /nfs/dbraw/zinc/75/66/11/859756611.db2.gz YNFQYTKNQSBMAK-FQEVSTJZSA-N 2 2 378.495 3.965 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000765359357 859927927 /nfs/dbraw/zinc/92/79/27/859927927.db2.gz HFAJKKCZIBSYNG-XPGWFJOJSA-N 2 2 393.453 3.634 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000765359357 859927933 /nfs/dbraw/zinc/92/79/33/859927933.db2.gz HFAJKKCZIBSYNG-XPGWFJOJSA-N 2 2 393.453 3.634 20 0 GHADLP Fc1ccc(Br)c2[nH+]ccc(N3CCN(c4cc[nH+]cc4)CC3)c12 ZINC000669648128 860157384 /nfs/dbraw/zinc/15/73/84/860157384.db2.gz UWERNRRMIKWSLD-UHFFFAOYSA-N 2 2 387.256 3.858 20 0 GHADLP c1ccc(-n2c(C[NH+]3CCCCC3)nnc2SCCC[NH+]2CCCC2)cc1 ZINC000194966986 860192654 /nfs/dbraw/zinc/19/26/54/860192654.db2.gz MKMVRUZCYMSHFS-UHFFFAOYSA-N 2 2 385.581 3.831 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000533848418 860242321 /nfs/dbraw/zinc/24/23/21/860242321.db2.gz SOYZFUFBZOGUPN-OPAMFIHVSA-N 2 2 389.503 3.728 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000533848418 860242329 /nfs/dbraw/zinc/24/23/29/860242329.db2.gz SOYZFUFBZOGUPN-OPAMFIHVSA-N 2 2 389.503 3.728 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)[C@H]1c1ccc(Cl)cc1 ZINC000534789535 860254546 /nfs/dbraw/zinc/25/45/46/860254546.db2.gz NXPUAUCKVDGVSJ-NJDAHSKKSA-N 2 2 398.938 3.571 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)[C@H]1c1ccc(Cl)cc1 ZINC000534789535 860254557 /nfs/dbraw/zinc/25/45/57/860254557.db2.gz NXPUAUCKVDGVSJ-NJDAHSKKSA-N 2 2 398.938 3.571 20 0 GHADLP C[NH+]1CC[C@@H](NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)[C@H]1c1ccc(Cl)cc1 ZINC000534789535 860254570 /nfs/dbraw/zinc/25/45/70/860254570.db2.gz NXPUAUCKVDGVSJ-NJDAHSKKSA-N 2 2 398.938 3.571 20 0 GHADLP C[NH+]1CC[C@@H](NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)[C@H]1c1ccc(Cl)cc1 ZINC000534789535 860254582 /nfs/dbraw/zinc/25/45/82/860254582.db2.gz NXPUAUCKVDGVSJ-NJDAHSKKSA-N 2 2 398.938 3.571 20 0 GHADLP C[C@@H]1CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)[C@@H]1CCC[NH3+] ZINC000904281505 860310364 /nfs/dbraw/zinc/31/03/64/860310364.db2.gz JAFAGDIANDPSEQ-LZLYRXPVSA-N 2 2 393.601 3.746 20 0 GHADLP C[C@@H]1CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)[C@@H]1CCC[NH3+] ZINC000904281505 860310370 /nfs/dbraw/zinc/31/03/70/860310370.db2.gz JAFAGDIANDPSEQ-LZLYRXPVSA-N 2 2 393.601 3.746 20 0 GHADLP CSc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000116287735 860505505 /nfs/dbraw/zinc/50/55/05/860505505.db2.gz KFRPTPJRQOCOQG-NRFANRHFSA-N 2 2 396.604 3.838 20 0 GHADLP CSc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000116287735 860505510 /nfs/dbraw/zinc/50/55/10/860505510.db2.gz KFRPTPJRQOCOQG-NRFANRHFSA-N 2 2 396.604 3.838 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]Cc2cccc3c2CCOC3)CCOCC1 ZINC000922743466 860547722 /nfs/dbraw/zinc/54/77/22/860547722.db2.gz RTAPCWOKPYYQGT-UHFFFAOYSA-N 2 2 380.532 3.530 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]Cc2cccc3c2CCOC3)CCOCC1 ZINC000922743466 860547732 /nfs/dbraw/zinc/54/77/32/860547732.db2.gz RTAPCWOKPYYQGT-UHFFFAOYSA-N 2 2 380.532 3.530 20 0 GHADLP C[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498557539 860573888 /nfs/dbraw/zinc/57/38/88/860573888.db2.gz BAOFZFJHZKVWCP-LADGPHEKSA-N 2 2 392.591 3.937 20 0 GHADLP C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498557539 860573894 /nfs/dbraw/zinc/57/38/94/860573894.db2.gz BAOFZFJHZKVWCP-LADGPHEKSA-N 2 2 392.591 3.937 20 0 GHADLP Cc1ccc(C[N@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000102773062 860583735 /nfs/dbraw/zinc/58/37/35/860583735.db2.gz GPCSKPBJUWMZLP-UHFFFAOYSA-N 2 2 389.590 3.676 20 0 GHADLP Cc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000102773062 860583740 /nfs/dbraw/zinc/58/37/40/860583740.db2.gz GPCSKPBJUWMZLP-UHFFFAOYSA-N 2 2 389.590 3.676 20 0 GHADLP c1ccc([C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]2CCOC2)cc1 ZINC000509030723 860620728 /nfs/dbraw/zinc/62/07/28/860620728.db2.gz JSXQEDMIWCAMIX-UPVQGACJSA-N 2 2 379.548 3.566 20 0 GHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)cc1OC ZINC000474797853 860786163 /nfs/dbraw/zinc/78/61/63/860786163.db2.gz VOCGVCDMPPYADZ-SJORKVTESA-N 2 2 378.557 3.675 20 0 GHADLP Cc1cccn2cc(CC(=O)NCC3([NH2+][C@H](C)c4ccccc4)CCCC3)[nH+]c12 ZINC000599100654 860796061 /nfs/dbraw/zinc/79/60/61/860796061.db2.gz LYPDUCKIDXTTFA-LJQANCHMSA-N 2 2 390.531 3.965 20 0 GHADLP Cc1cccc([C@H](C)NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1C ZINC000074277991 881624066 /nfs/dbraw/zinc/62/40/66/881624066.db2.gz OYWSXWNWKRCMTD-FQEVSTJZSA-N 2 2 386.584 3.614 20 0 GHADLP CCCOc1c(Br)cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1OC ZINC000062254751 863154494 /nfs/dbraw/zinc/15/44/94/863154494.db2.gz KBGOIILSMACBLA-CQSZACIVSA-N 2 2 396.329 3.869 20 0 GHADLP CC[NH+](CC)CCCC1CC[NH+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000182741703 863342865 /nfs/dbraw/zinc/34/28/65/863342865.db2.gz MSHWKSZEXTVTJU-UHFFFAOYSA-N 2 2 390.959 3.911 20 0 GHADLP Fc1ccccc1OC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655703195 863769032 /nfs/dbraw/zinc/76/90/32/863769032.db2.gz NGZSYPQWUPPOOQ-IFMALSPDSA-N 2 2 384.495 3.789 20 0 GHADLP Cc1ccc(Cl)c(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000120739784 881701248 /nfs/dbraw/zinc/70/12/48/881701248.db2.gz GFLPXTDEKYEAFN-UHFFFAOYSA-N 2 2 378.948 3.720 20 0 GHADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000158475049 863844463 /nfs/dbraw/zinc/84/44/63/863844463.db2.gz NGEURWQORFOCGV-SFHVURJKSA-N 2 2 388.968 3.814 20 0 GHADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000158488089 863847624 /nfs/dbraw/zinc/84/76/24/863847624.db2.gz JWDPCGVAFAOFQJ-AWEZNQCLSA-N 2 2 379.335 3.991 20 0 GHADLP Cc1c(F)cccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000120778649 881720758 /nfs/dbraw/zinc/72/07/58/881720758.db2.gz JEOAQZWUQDSQTE-LEWJYISDSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1c(F)cccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000120778649 881720770 /nfs/dbraw/zinc/72/07/70/881720770.db2.gz JEOAQZWUQDSQTE-LEWJYISDSA-N 2 2 390.547 3.935 20 0 GHADLP Fc1cccc(F)c1-c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)o1 ZINC000734508781 864267932 /nfs/dbraw/zinc/26/79/32/864267932.db2.gz CYISLNIHLOWTIQ-QGZVFWFLSA-N 2 2 376.447 3.958 20 0 GHADLP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1c(F)cccc1Cl ZINC000475147378 864298089 /nfs/dbraw/zinc/29/80/89/864298089.db2.gz DAADGFALLXKMSD-KSSFIOAISA-N 2 2 377.891 3.549 20 0 GHADLP CC(=O)N1CC[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)c2ccccc21 ZINC000621752844 864400852 /nfs/dbraw/zinc/40/08/52/864400852.db2.gz CWSDQALHYPNMOS-FQEVSTJZSA-N 2 2 387.593 3.826 20 0 GHADLP CC[N@@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000667659427 864475189 /nfs/dbraw/zinc/47/51/89/864475189.db2.gz HIPIMIFOJNPHAH-HSZRJFAPSA-N 2 2 395.547 3.988 20 0 GHADLP CC[N@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000667659427 864475195 /nfs/dbraw/zinc/47/51/95/864475195.db2.gz HIPIMIFOJNPHAH-HSZRJFAPSA-N 2 2 395.547 3.988 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000163698184 864553734 /nfs/dbraw/zinc/55/37/34/864553734.db2.gz ZWJVQYDRGQWMHQ-QGZVFWFLSA-N 2 2 393.531 3.599 20 0 GHADLP CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667684284 864756423 /nfs/dbraw/zinc/75/64/23/864756423.db2.gz QLENETGXAYTXTA-OAQYLSRUSA-N 3 2 375.520 3.611 20 0 GHADLP CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667684284 864756427 /nfs/dbraw/zinc/75/64/27/864756427.db2.gz QLENETGXAYTXTA-OAQYLSRUSA-N 3 2 375.520 3.611 20 0 GHADLP CC[NH+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667684284 864756430 /nfs/dbraw/zinc/75/64/30/864756430.db2.gz QLENETGXAYTXTA-OAQYLSRUSA-N 3 2 375.520 3.611 20 0 GHADLP CC[NH+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667684284 864756434 /nfs/dbraw/zinc/75/64/34/864756434.db2.gz QLENETGXAYTXTA-OAQYLSRUSA-N 3 2 375.520 3.611 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)c3ccc4ccccc4c3)CC2)CC1 ZINC000607896707 864851105 /nfs/dbraw/zinc/85/11/05/864851105.db2.gz PWNVSOIBRQGGNI-UHFFFAOYSA-N 2 2 393.575 3.792 20 0 GHADLP C[C@@H]1CC([NH+]2CCC(NC(=O)C(F)(F)F)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168062686 864894582 /nfs/dbraw/zinc/89/45/82/864894582.db2.gz LOMUNSNFHIKEEW-HZPDHXFCSA-N 2 2 397.485 3.571 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000608071784 864962178 /nfs/dbraw/zinc/96/21/78/864962178.db2.gz OFGSIZIOLATHHJ-OAHLLOKOSA-N 2 2 384.455 3.667 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cc(F)cc(F)c1 ZINC000554843581 865002908 /nfs/dbraw/zinc/00/29/08/865002908.db2.gz MBOXFWSUIZPOPY-FQEVSTJZSA-N 2 2 387.474 3.794 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cc(F)cc(F)c1 ZINC000554843581 865002915 /nfs/dbraw/zinc/00/29/15/865002915.db2.gz MBOXFWSUIZPOPY-FQEVSTJZSA-N 2 2 387.474 3.794 20 0 GHADLP Cc1c(O)ccc2c(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc(=O)oc12 ZINC000735870569 865015667 /nfs/dbraw/zinc/01/56/67/865015667.db2.gz BBZVQFBOBBUQEG-SFHVURJKSA-N 2 2 384.520 3.895 20 0 GHADLP Cc1c(O)ccc2c(C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc(=O)oc12 ZINC000735870569 865015683 /nfs/dbraw/zinc/01/56/83/865015683.db2.gz BBZVQFBOBBUQEG-SFHVURJKSA-N 2 2 384.520 3.895 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000554883407 865112593 /nfs/dbraw/zinc/11/25/93/865112593.db2.gz OZVKIFUNCYGOMD-UHFFFAOYSA-N 2 2 388.313 3.662 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000554883407 865112596 /nfs/dbraw/zinc/11/25/96/865112596.db2.gz OZVKIFUNCYGOMD-UHFFFAOYSA-N 2 2 388.313 3.662 20 0 GHADLP FC(F)(F)c1ccccc1N1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000480712259 865151400 /nfs/dbraw/zinc/15/14/00/865151400.db2.gz IUKBOPPECMRGOA-QGZVFWFLSA-N 2 2 390.453 3.938 20 0 GHADLP c1c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)[nH]nc1-c1cccnc1 ZINC000537631838 881857589 /nfs/dbraw/zinc/85/75/89/881857589.db2.gz YWXPFJXHYXZIKT-XMMPIXPASA-N 2 2 387.531 3.960 20 0 GHADLP c1c(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)[nH]nc1-c1cccnc1 ZINC000537631838 881857603 /nfs/dbraw/zinc/85/76/03/881857603.db2.gz YWXPFJXHYXZIKT-XMMPIXPASA-N 2 2 387.531 3.960 20 0 GHADLP c1c(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)[nH]nc1-c1cccnc1 ZINC000537631838 881857616 /nfs/dbraw/zinc/85/76/16/881857616.db2.gz YWXPFJXHYXZIKT-XMMPIXPASA-N 2 2 387.531 3.960 20 0 GHADLP c1c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)[nH]nc1-c1cccnc1 ZINC000537631838 881857627 /nfs/dbraw/zinc/85/76/27/881857627.db2.gz YWXPFJXHYXZIKT-XMMPIXPASA-N 2 2 387.531 3.960 20 0 GHADLP Cc1ccc([C@@H](C)N(C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000074767284 881863149 /nfs/dbraw/zinc/86/31/49/881863149.db2.gz OMUYKVUWDJGZBB-HXUWFJFHSA-N 2 2 386.584 3.648 20 0 GHADLP CC(C)N(Cc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074768110 881868935 /nfs/dbraw/zinc/86/89/35/881868935.db2.gz KEUZQTIOWVNEKF-UHFFFAOYSA-N 2 2 386.584 3.557 20 0 GHADLP Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)cc1 ZINC000480888490 865441870 /nfs/dbraw/zinc/44/18/70/865441870.db2.gz YIRUNWTXVAVQQS-HYBUGGRVSA-N 2 2 390.531 3.905 20 0 GHADLP Cc1cc2ccccc2[nH+]c1NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000301712966 865505240 /nfs/dbraw/zinc/50/52/40/865505240.db2.gz IOVKCKFSUHCCFE-OAQYLSRUSA-N 2 2 388.515 3.853 20 0 GHADLP Cc1cc2ccccc2[nH+]c1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000301712966 865505246 /nfs/dbraw/zinc/50/52/46/865505246.db2.gz IOVKCKFSUHCCFE-OAQYLSRUSA-N 2 2 388.515 3.853 20 0 GHADLP CC[C@H]1c2ccccc2CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000608718897 865589303 /nfs/dbraw/zinc/58/93/03/865589303.db2.gz LNVDEPCLGGGBIG-QFIPXVFZSA-N 2 2 398.595 3.656 20 0 GHADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000481027944 865704950 /nfs/dbraw/zinc/70/49/50/865704950.db2.gz XGEZQACKAHFDJO-ABAIWWIYSA-N 2 2 384.364 3.832 20 0 GHADLP CC[N@H+](C[C@H](O)c1cc(F)ccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395291 865799653 /nfs/dbraw/zinc/79/96/53/865799653.db2.gz XWBQAWAZXPSYIE-FQEVSTJZSA-N 2 2 375.463 3.632 20 0 GHADLP CC[N@@H+](C[C@H](O)c1cc(F)ccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395291 865799656 /nfs/dbraw/zinc/79/96/56/865799656.db2.gz XWBQAWAZXPSYIE-FQEVSTJZSA-N 2 2 375.463 3.632 20 0 GHADLP Fc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc(F)c1OCC1CCOCC1 ZINC001168365371 865840572 /nfs/dbraw/zinc/84/05/72/865840572.db2.gz PWURZKIDRAHTOZ-UHFFFAOYSA-N 2 2 394.506 3.734 20 0 GHADLP Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)sc1C ZINC000481166331 865907067 /nfs/dbraw/zinc/90/70/67/865907067.db2.gz KENOTLIEOLVYLF-URLQWDBASA-N 2 2 386.565 3.587 20 0 GHADLP Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)sc1C ZINC000481166331 865907073 /nfs/dbraw/zinc/90/70/73/865907073.db2.gz KENOTLIEOLVYLF-URLQWDBASA-N 2 2 386.565 3.587 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000481169783 865914411 /nfs/dbraw/zinc/91/44/11/865914411.db2.gz FWDURAJRVZHVBF-WTNAPCKOSA-N 2 2 397.950 3.946 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000481169783 865914416 /nfs/dbraw/zinc/91/44/16/865914416.db2.gz FWDURAJRVZHVBF-WTNAPCKOSA-N 2 2 397.950 3.946 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCc1ccccc1Cl ZINC000481176144 865928208 /nfs/dbraw/zinc/92/82/08/865928208.db2.gz XGZDNZUSXWJOQD-FGSXEWAUSA-N 2 2 399.966 3.845 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCc1ccccc1Cl ZINC000481176144 865928219 /nfs/dbraw/zinc/92/82/19/865928219.db2.gz XGZDNZUSXWJOQD-FGSXEWAUSA-N 2 2 399.966 3.845 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000481177126 865929142 /nfs/dbraw/zinc/92/91/42/865929142.db2.gz ZARXFWKMSGNPPX-DNVCBOLYSA-N 2 2 389.902 3.918 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000481177126 865929147 /nfs/dbraw/zinc/92/91/47/865929147.db2.gz ZARXFWKMSGNPPX-DNVCBOLYSA-N 2 2 389.902 3.918 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(F)cc1F ZINC000481181136 865940643 /nfs/dbraw/zinc/94/06/43/865940643.db2.gz YUGMFNMQMNFWHA-GUXCAODWSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(F)cc1F ZINC000481181136 865940654 /nfs/dbraw/zinc/94/06/54/865940654.db2.gz YUGMFNMQMNFWHA-GUXCAODWSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000481186405 865950396 /nfs/dbraw/zinc/95/03/96/865950396.db2.gz FTPMCOCRCJYXAU-TYCQWZJGSA-N 2 2 399.485 3.570 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000481186405 865950406 /nfs/dbraw/zinc/95/04/06/865950406.db2.gz FTPMCOCRCJYXAU-TYCQWZJGSA-N 2 2 399.485 3.570 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(Cl)cn1 ZINC000481186269 865951735 /nfs/dbraw/zinc/95/17/35/865951735.db2.gz XLJLOUPWFWEFOY-BXWFABGCSA-N 2 2 386.927 3.562 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(Cl)cn1 ZINC000481186269 865951742 /nfs/dbraw/zinc/95/17/42/865951742.db2.gz XLJLOUPWFWEFOY-BXWFABGCSA-N 2 2 386.927 3.562 20 0 GHADLP c1ccc(C[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C2CC2)cc1 ZINC000481192489 865977660 /nfs/dbraw/zinc/97/76/60/865977660.db2.gz QDVJFUAFOWZRCS-HSZRJFAPSA-N 2 2 380.532 3.509 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C[C@H]1C(F)(F)F ZINC001168528041 866031461 /nfs/dbraw/zinc/03/14/61/866031461.db2.gz KEVDLQRHPSHVET-DZKIICNBSA-N 2 2 391.478 3.533 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C[C@H]1C(F)(F)F ZINC001168528041 866031475 /nfs/dbraw/zinc/03/14/75/866031475.db2.gz KEVDLQRHPSHVET-DZKIICNBSA-N 2 2 391.478 3.533 20 0 GHADLP Brc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc2c1OCCCO2 ZINC000475557856 866257727 /nfs/dbraw/zinc/25/77/27/866257727.db2.gz BQIVHPNJYMOYBO-UHFFFAOYSA-N 2 2 395.341 3.717 20 0 GHADLP COc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(OCc2cccnc2)c1 ZINC000475564189 866316950 /nfs/dbraw/zinc/31/69/50/866316950.db2.gz IQJHWPOHXBXOKQ-UHFFFAOYSA-N 2 2 381.520 3.776 20 0 GHADLP CC[C@@H](Cc1ccccc1)[N@H+](CC)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001168072886 866342851 /nfs/dbraw/zinc/34/28/51/866342851.db2.gz AUBSSBJYHJEWFT-QFIPXVFZSA-N 2 2 399.604 3.736 20 0 GHADLP CC[C@@H](Cc1ccccc1)[N@@H+](CC)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001168072886 866342866 /nfs/dbraw/zinc/34/28/66/866342866.db2.gz AUBSSBJYHJEWFT-QFIPXVFZSA-N 2 2 399.604 3.736 20 0 GHADLP CN(c1ccccc1CN1CC[NH+](Cc2ccsc2)CC1)C1CC[NH+](C)CC1 ZINC000534332521 866580015 /nfs/dbraw/zinc/58/00/15/866580015.db2.gz GXWOMHJHZVUIGE-UHFFFAOYSA-N 2 2 398.620 3.596 20 0 GHADLP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000179108251 866589741 /nfs/dbraw/zinc/58/97/41/866589741.db2.gz AWKHDVQUMBBXMW-LJQANCHMSA-N 2 2 386.971 3.984 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133139516 881993491 /nfs/dbraw/zinc/99/34/91/881993491.db2.gz YGEJOPITOSBJLD-YADHBBJMSA-N 2 2 399.485 3.736 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133139516 881993503 /nfs/dbraw/zinc/99/35/03/881993503.db2.gz YGEJOPITOSBJLD-YADHBBJMSA-N 2 2 399.485 3.736 20 0 GHADLP CCCC1(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000534385540 866659400 /nfs/dbraw/zinc/65/94/00/866659400.db2.gz WJVJUUSADNNLIT-NHCUHLMSSA-N 2 2 392.632 3.935 20 0 GHADLP CCCC1(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000534385540 866659414 /nfs/dbraw/zinc/65/94/14/866659414.db2.gz WJVJUUSADNNLIT-NHCUHLMSSA-N 2 2 392.632 3.935 20 0 GHADLP CN(C(=O)NCCCC(C)(C)C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534384507 866699261 /nfs/dbraw/zinc/69/92/61/866699261.db2.gz QCNZBKIFNOOBTO-VQTJNVASSA-N 2 2 380.621 3.791 20 0 GHADLP CN(C(=O)NCCCC(C)(C)C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534384507 866699267 /nfs/dbraw/zinc/69/92/67/866699267.db2.gz QCNZBKIFNOOBTO-VQTJNVASSA-N 2 2 380.621 3.791 20 0 GHADLP O=C(N[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1)c1ccc2ccccc2c1 ZINC000444569012 866895620 /nfs/dbraw/zinc/89/56/20/866895620.db2.gz KMLRUUORXXJQGV-QHCPKHFHSA-N 2 2 379.548 3.910 20 0 GHADLP O=C(N[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)c1ccc2ccccc2c1 ZINC000444569012 866895626 /nfs/dbraw/zinc/89/56/26/866895626.db2.gz KMLRUUORXXJQGV-QHCPKHFHSA-N 2 2 379.548 3.910 20 0 GHADLP Cc1cc(C)c(/C=C/C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1C ZINC000742011873 866978590 /nfs/dbraw/zinc/97/85/90/866978590.db2.gz SJAMQAZHLNFSLV-CMDGGOBGSA-N 2 2 383.580 3.692 20 0 GHADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479080533 867145195 /nfs/dbraw/zinc/14/51/95/867145195.db2.gz NVLIFKPSFZDGGW-LPHOPBHVSA-N 2 2 399.348 3.722 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000523514323 867433401 /nfs/dbraw/zinc/43/34/01/867433401.db2.gz XOMHUGSFGAHPPY-KRWDZBQOSA-N 2 2 395.894 3.771 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000523514323 867433415 /nfs/dbraw/zinc/43/34/15/867433415.db2.gz XOMHUGSFGAHPPY-KRWDZBQOSA-N 2 2 395.894 3.771 20 0 GHADLP CCSCC[C@@H](C)[N@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428383653 867483175 /nfs/dbraw/zinc/48/31/75/867483175.db2.gz AGTMUXXQZKYJDB-MRXNPFEDSA-N 2 2 398.642 3.777 20 0 GHADLP CCSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428383653 867483180 /nfs/dbraw/zinc/48/31/80/867483180.db2.gz AGTMUXXQZKYJDB-MRXNPFEDSA-N 2 2 398.642 3.777 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000920426151 882105344 /nfs/dbraw/zinc/10/53/44/882105344.db2.gz WZRVYPQNYDNBRH-GOSISDBHSA-N 2 2 395.356 3.733 20 0 GHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000523735243 867870384 /nfs/dbraw/zinc/87/03/84/867870384.db2.gz CCQXJMWAYGWTIJ-FQEVSTJZSA-N 2 2 392.478 3.540 20 0 GHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000523735243 867870389 /nfs/dbraw/zinc/87/03/89/867870389.db2.gz CCQXJMWAYGWTIJ-FQEVSTJZSA-N 2 2 392.478 3.540 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000155368569 867886336 /nfs/dbraw/zinc/88/63/36/867886336.db2.gz PQLUZQSVAGGDIC-IAGOWNOFSA-N 2 2 384.351 3.513 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000155368569 867886352 /nfs/dbraw/zinc/88/63/52/867886352.db2.gz PQLUZQSVAGGDIC-IAGOWNOFSA-N 2 2 384.351 3.513 20 0 GHADLP Clc1ccc(-n2cc(C[NH2+]CCCNc3cccc[nH+]3)nn2)c(Cl)c1 ZINC000535186937 868303753 /nfs/dbraw/zinc/30/37/53/868303753.db2.gz REZCVABHWHGUTJ-UHFFFAOYSA-N 2 2 377.279 3.561 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1Cl ZINC000553964506 868509502 /nfs/dbraw/zinc/50/95/02/868509502.db2.gz HMZRUZPQEJHNAS-SFTDATJTSA-N 2 2 385.939 3.554 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000479880670 868650898 /nfs/dbraw/zinc/65/08/98/868650898.db2.gz GOLOMQDUGSOPSH-PXDATVDWSA-N 2 2 393.575 3.519 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000479880670 868650901 /nfs/dbraw/zinc/65/09/01/868650901.db2.gz GOLOMQDUGSOPSH-PXDATVDWSA-N 2 2 393.575 3.519 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000479880670 868650903 /nfs/dbraw/zinc/65/09/03/868650903.db2.gz GOLOMQDUGSOPSH-PXDATVDWSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000479880670 868650906 /nfs/dbraw/zinc/65/09/06/868650906.db2.gz GOLOMQDUGSOPSH-PXDATVDWSA-N 3 2 393.575 3.519 20 0 GHADLP COC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(Cl)c1F ZINC000554050403 868651047 /nfs/dbraw/zinc/65/10/47/868651047.db2.gz MBVYRUUTPMCLCO-FQEVSTJZSA-N 2 2 392.902 3.789 20 0 GHADLP CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000479922793 868702836 /nfs/dbraw/zinc/70/28/36/868702836.db2.gz KOHSQKYFDWUCCP-UHFFFAOYSA-N 2 2 396.531 3.764 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000075409839 882235945 /nfs/dbraw/zinc/23/59/45/882235945.db2.gz FNRAJRPISDPTOY-UHFFFAOYSA-N 2 2 380.536 3.522 20 0 GHADLP Cc1ccc(OC(F)F)c(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000428434953 869554128 /nfs/dbraw/zinc/55/41/28/869554128.db2.gz MRIZLVNDLUFRRK-JOCHJYFZSA-N 2 2 390.474 3.665 20 0 GHADLP Cc1ccc(OC(F)F)c(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000428434953 869554139 /nfs/dbraw/zinc/55/41/39/869554139.db2.gz MRIZLVNDLUFRRK-JOCHJYFZSA-N 2 2 390.474 3.665 20 0 GHADLP Cc1ccc(OC(F)F)c(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000428434953 869554143 /nfs/dbraw/zinc/55/41/43/869554143.db2.gz MRIZLVNDLUFRRK-JOCHJYFZSA-N 2 2 390.474 3.665 20 0 GHADLP Cc1ccc(OC(F)F)c(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000428434953 869554152 /nfs/dbraw/zinc/55/41/52/869554152.db2.gz MRIZLVNDLUFRRK-JOCHJYFZSA-N 2 2 390.474 3.665 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000539789859 869784749 /nfs/dbraw/zinc/78/47/49/869784749.db2.gz UMOLBPTUPIKCIL-SFHVURJKSA-N 2 2 389.503 3.572 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000539789859 869784757 /nfs/dbraw/zinc/78/47/57/869784757.db2.gz UMOLBPTUPIKCIL-SFHVURJKSA-N 2 2 389.503 3.572 20 0 GHADLP FC(F)COc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000462681939 869892036 /nfs/dbraw/zinc/89/20/36/869892036.db2.gz WOFZLESXSLRMNO-UHFFFAOYSA-N 2 2 389.490 3.632 20 0 GHADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000462824781 870165175 /nfs/dbraw/zinc/16/51/75/870165175.db2.gz YYPQJMOZFLYHMY-PGRDOPGGSA-N 2 2 398.595 3.756 20 0 GHADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000462824781 870165180 /nfs/dbraw/zinc/16/51/80/870165180.db2.gz YYPQJMOZFLYHMY-PGRDOPGGSA-N 2 2 398.595 3.756 20 0 GHADLP CCOc1cc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1OC ZINC000248156816 870302216 /nfs/dbraw/zinc/30/22/16/870302216.db2.gz RMCBDXJETUCHCJ-KNQAVFIVSA-N 2 2 397.563 3.922 20 0 GHADLP CCOc1cc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1OC ZINC000248156816 870302233 /nfs/dbraw/zinc/30/22/33/870302233.db2.gz RMCBDXJETUCHCJ-KNQAVFIVSA-N 2 2 397.563 3.922 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)c2cccc(Cl)c2F)CC1 ZINC000462903564 870344943 /nfs/dbraw/zinc/34/49/43/870344943.db2.gz BNDICHLKMJRSKK-UHFFFAOYSA-N 2 2 384.923 3.764 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000746417724 870633934 /nfs/dbraw/zinc/63/39/34/870633934.db2.gz QZMWSHXULQRLKZ-HXUWFJFHSA-N 2 2 396.535 3.513 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000746417724 870633943 /nfs/dbraw/zinc/63/39/43/870633943.db2.gz QZMWSHXULQRLKZ-HXUWFJFHSA-N 2 2 396.535 3.513 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000540152856 870634580 /nfs/dbraw/zinc/63/45/80/870634580.db2.gz SOSONEULPQPMBB-IAGOWNOFSA-N 2 2 396.535 3.925 20 0 GHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000766402740 870702904 /nfs/dbraw/zinc/70/29/04/870702904.db2.gz GSUVRYKMKSBLQC-SFHVURJKSA-N 2 2 378.524 3.905 20 0 GHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000766402740 870702916 /nfs/dbraw/zinc/70/29/16/870702916.db2.gz GSUVRYKMKSBLQC-SFHVURJKSA-N 2 2 378.524 3.905 20 0 GHADLP Cn1cc(-c2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)on2)cn1 ZINC000248985780 870712767 /nfs/dbraw/zinc/71/27/67/870712767.db2.gz JXCQHMWBKZCKLV-WMZHIEFXSA-N 2 2 391.519 3.562 20 0 GHADLP Cn1cc(-c2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)on2)cn1 ZINC000248985780 870712772 /nfs/dbraw/zinc/71/27/72/870712772.db2.gz JXCQHMWBKZCKLV-WMZHIEFXSA-N 2 2 391.519 3.562 20 0 GHADLP Cn1cc(-c2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)on2)cn1 ZINC000248985780 870712783 /nfs/dbraw/zinc/71/27/83/870712783.db2.gz JXCQHMWBKZCKLV-WMZHIEFXSA-N 2 2 391.519 3.562 20 0 GHADLP Cn1cc(-c2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)on2)cn1 ZINC000248985780 870712796 /nfs/dbraw/zinc/71/27/96/870712796.db2.gz JXCQHMWBKZCKLV-WMZHIEFXSA-N 2 2 391.519 3.562 20 0 GHADLP CCN(C(C)=O)c1nc(C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)cs1 ZINC000538857569 870755711 /nfs/dbraw/zinc/75/57/11/870755711.db2.gz HTPHOFPRKPCSHC-UHFFFAOYSA-N 2 2 392.613 3.850 20 0 GHADLP CCN(C(C)=O)c1nc(C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)cs1 ZINC000538857569 870755723 /nfs/dbraw/zinc/75/57/23/870755723.db2.gz HTPHOFPRKPCSHC-UHFFFAOYSA-N 2 2 392.613 3.850 20 0 GHADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000540248403 870808314 /nfs/dbraw/zinc/80/83/14/870808314.db2.gz RUVDDEDUWPFRFI-KZNAEPCWSA-N 2 2 393.572 3.623 20 0 GHADLP C[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000463067087 870817952 /nfs/dbraw/zinc/81/79/52/870817952.db2.gz GGWPUJPTHMAQBR-HXUWFJFHSA-N 2 2 395.566 3.869 20 0 GHADLP C[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000463067087 870817964 /nfs/dbraw/zinc/81/79/64/870817964.db2.gz GGWPUJPTHMAQBR-HXUWFJFHSA-N 2 2 395.566 3.869 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168849657 870930829 /nfs/dbraw/zinc/93/08/29/870930829.db2.gz KUWGECYDVGHAOM-NQIIRXRSSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168849657 870930833 /nfs/dbraw/zinc/93/08/33/870930833.db2.gz KUWGECYDVGHAOM-NQIIRXRSSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C(=O)N1c1ccccc1 ZINC000463192079 871097462 /nfs/dbraw/zinc/09/74/62/871097462.db2.gz OQEJYCQJKGRPLV-MHXAIHSWSA-N 2 2 377.532 3.823 20 0 GHADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C(=O)N1c1ccccc1 ZINC000463192079 871097475 /nfs/dbraw/zinc/09/74/75/871097475.db2.gz OQEJYCQJKGRPLV-MHXAIHSWSA-N 2 2 377.532 3.823 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000463213683 871157194 /nfs/dbraw/zinc/15/71/94/871157194.db2.gz YLDCYVCPVONTDI-WUEDSLEZSA-N 2 2 399.623 3.850 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000463213683 871157206 /nfs/dbraw/zinc/15/72/06/871157206.db2.gz YLDCYVCPVONTDI-WUEDSLEZSA-N 2 2 399.623 3.850 20 0 GHADLP Cc1nc(C2CCCCC2)sc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000540457091 871346806 /nfs/dbraw/zinc/34/68/06/871346806.db2.gz UHNPEHSXEVPHBC-UHFFFAOYSA-N 2 2 392.613 3.597 20 0 GHADLP Cc1nc(C2CCCCC2)sc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540457091 871346831 /nfs/dbraw/zinc/34/68/31/871346831.db2.gz UHNPEHSXEVPHBC-UHFFFAOYSA-N 2 2 392.613 3.597 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000540526889 871496829 /nfs/dbraw/zinc/49/68/29/871496829.db2.gz ZITNNRZPMWQUOT-LJQANCHMSA-N 2 2 388.515 3.887 20 0 GHADLP O=C(C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1)NC1CC[NH+](C2CC2)CC1 ZINC000447385501 871512238 /nfs/dbraw/zinc/51/22/38/871512238.db2.gz OMJBSUPBXWEDEH-UHFFFAOYSA-N 2 2 396.362 3.705 20 0 GHADLP c1ccc(COc2ccc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc2)cc1 ZINC001194279218 871573589 /nfs/dbraw/zinc/57/35/89/871573589.db2.gz GLFGBJOSLZFLJT-QHCPKHFHSA-N 2 2 380.532 3.952 20 0 GHADLP c1ccc(COc2ccc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc2)cc1 ZINC001194279218 871573600 /nfs/dbraw/zinc/57/36/00/871573600.db2.gz GLFGBJOSLZFLJT-QHCPKHFHSA-N 2 2 380.532 3.952 20 0 GHADLP Cc1cc(Br)cc2cc([C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)C)oc21 ZINC000540645685 871831604 /nfs/dbraw/zinc/83/16/04/871831604.db2.gz FGPVAQCXHOJLEE-NVXWUHKLSA-N 2 2 383.330 3.713 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC001195065621 872144058 /nfs/dbraw/zinc/14/40/58/872144058.db2.gz UAMPUKTZBDOAKP-NRFANRHFSA-N 2 2 388.502 3.712 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC001195065621 872144061 /nfs/dbraw/zinc/14/40/61/872144061.db2.gz UAMPUKTZBDOAKP-NRFANRHFSA-N 2 2 388.502 3.712 20 0 GHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000447732832 872217508 /nfs/dbraw/zinc/21/75/08/872217508.db2.gz YGCGUDOQIGAVRK-HXUWFJFHSA-N 2 2 383.536 3.833 20 0 GHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000447732832 872217526 /nfs/dbraw/zinc/21/75/26/872217526.db2.gz YGCGUDOQIGAVRK-HXUWFJFHSA-N 2 2 383.536 3.833 20 0 GHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000447732832 872217545 /nfs/dbraw/zinc/21/75/45/872217545.db2.gz YGCGUDOQIGAVRK-HXUWFJFHSA-N 2 2 383.536 3.833 20 0 GHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000447732832 872217563 /nfs/dbraw/zinc/21/75/63/872217563.db2.gz YGCGUDOQIGAVRK-HXUWFJFHSA-N 2 2 383.536 3.833 20 0 GHADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000478034165 872343680 /nfs/dbraw/zinc/34/36/80/872343680.db2.gz PNHQSTIKSYXKPV-ZCNNSNEGSA-N 2 2 385.596 3.795 20 0 GHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000478034165 872343697 /nfs/dbraw/zinc/34/36/97/872343697.db2.gz PNHQSTIKSYXKPV-ZCNNSNEGSA-N 2 2 385.596 3.795 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000478034165 872343714 /nfs/dbraw/zinc/34/37/14/872343714.db2.gz PNHQSTIKSYXKPV-ZCNNSNEGSA-N 2 2 385.596 3.795 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000478034165 872343726 /nfs/dbraw/zinc/34/37/26/872343726.db2.gz PNHQSTIKSYXKPV-ZCNNSNEGSA-N 2 2 385.596 3.795 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[N@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000526998186 872394755 /nfs/dbraw/zinc/39/47/55/872394755.db2.gz OBRZKYVUFPSSTP-UYAOXDASSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[N@@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000526998186 872394772 /nfs/dbraw/zinc/39/47/72/872394772.db2.gz OBRZKYVUFPSSTP-UYAOXDASSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[N@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000526998186 872394789 /nfs/dbraw/zinc/39/47/89/872394789.db2.gz OBRZKYVUFPSSTP-UYAOXDASSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[N@@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000526998186 872394807 /nfs/dbraw/zinc/39/48/07/872394807.db2.gz OBRZKYVUFPSSTP-UYAOXDASSA-N 2 2 394.563 3.761 20 0 GHADLP CCC(CC)[C@@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)[NH+]1CCCC1 ZINC000619392219 872592795 /nfs/dbraw/zinc/59/27/95/872592795.db2.gz ZQHHUASGNHMVLK-OAQYLSRUSA-N 2 2 383.540 3.572 20 0 GHADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCC[NH+](C)C ZINC000478228610 872692693 /nfs/dbraw/zinc/69/26/93/872692693.db2.gz YKAUTFMIIQOWCF-UHFFFAOYSA-N 2 2 379.346 3.800 20 0 GHADLP C[C@@H](NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000541201319 873126548 /nfs/dbraw/zinc/12/65/48/873126548.db2.gz MLBPNYCFQXDMDH-QGZVFWFLSA-N 2 2 388.943 3.906 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000448260150 873137831 /nfs/dbraw/zinc/13/78/31/873137831.db2.gz JQDAXBFNKKNIDX-QHAWAJNXSA-N 2 2 395.551 3.531 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000448260150 873137839 /nfs/dbraw/zinc/13/78/39/873137839.db2.gz JQDAXBFNKKNIDX-QHAWAJNXSA-N 2 2 395.551 3.531 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCc3ccccc3C1)C2 ZINC000527528338 873250473 /nfs/dbraw/zinc/25/04/73/873250473.db2.gz UEQWZDNKVFNVIJ-GOSISDBHSA-N 2 2 394.563 3.591 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC(C)(C)[N@H+]1CCc3ccccc3C1)C2 ZINC000527528338 873250485 /nfs/dbraw/zinc/25/04/85/873250485.db2.gz UEQWZDNKVFNVIJ-GOSISDBHSA-N 2 2 394.563 3.591 20 0 GHADLP c1cc(C[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)n(-c2cc[nH+]cc2)n1 ZINC000858011445 882716098 /nfs/dbraw/zinc/71/60/98/882716098.db2.gz OMUQRIUVHJBIIW-NRFANRHFSA-N 2 2 375.476 3.583 20 0 GHADLP c1cc(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)n(-c2cc[nH+]cc2)n1 ZINC000858011445 882716112 /nfs/dbraw/zinc/71/61/12/882716112.db2.gz OMUQRIUVHJBIIW-NRFANRHFSA-N 2 2 375.476 3.583 20 0 GHADLP CN1C(=O)C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1c1ccc(Cl)cc1 ZINC000541377973 873476595 /nfs/dbraw/zinc/47/65/95/873476595.db2.gz HWVKYOIVBZXCTC-PKOBYXMFSA-N 2 2 386.908 3.649 20 0 GHADLP C[N@H+](CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)Cc1ccccc1 ZINC000541395821 873508438 /nfs/dbraw/zinc/50/84/38/873508438.db2.gz NODAKOUOMLTCFA-NRFANRHFSA-N 2 2 394.563 3.741 20 0 GHADLP C[N@@H+](CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)Cc1ccccc1 ZINC000541395821 873508450 /nfs/dbraw/zinc/50/84/50/873508450.db2.gz NODAKOUOMLTCFA-NRFANRHFSA-N 2 2 394.563 3.741 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(F)c(Br)cc1F ZINC000527899382 873735044 /nfs/dbraw/zinc/73/50/44/873735044.db2.gz VGVCNMXKRZBBKE-CHWSQXEVSA-N 2 2 391.300 3.879 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(F)c(Br)cc1F ZINC000527899382 873735049 /nfs/dbraw/zinc/73/50/49/873735049.db2.gz VGVCNMXKRZBBKE-CHWSQXEVSA-N 2 2 391.300 3.879 20 0 GHADLP CC(C)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCCCCC1 ZINC000921243948 882767898 /nfs/dbraw/zinc/76/78/98/882767898.db2.gz JYKCUDDQZZDCPB-OAQYLSRUSA-N 2 2 383.540 3.572 20 0 GHADLP Fc1ccc([C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)c2cnn[nH]2)cc1 ZINC000550885753 882768876 /nfs/dbraw/zinc/76/88/76/882768876.db2.gz JGDUJHAKNILIJF-FQEVSTJZSA-N 2 2 385.512 3.597 20 0 GHADLP Fc1ccc([C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)c2cn[nH]n2)cc1 ZINC000550885753 882768885 /nfs/dbraw/zinc/76/88/85/882768885.db2.gz JGDUJHAKNILIJF-FQEVSTJZSA-N 2 2 385.512 3.597 20 0 GHADLP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000541627272 873987928 /nfs/dbraw/zinc/98/79/28/873987928.db2.gz UDHQCXPQVCZXFI-IBGZPJMESA-N 2 2 391.943 3.777 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC001198006845 874158917 /nfs/dbraw/zinc/15/89/17/874158917.db2.gz GIOMVOFNFQADOB-HSZRJFAPSA-N 2 2 379.548 3.878 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC001198006845 874158924 /nfs/dbraw/zinc/15/89/24/874158924.db2.gz GIOMVOFNFQADOB-HSZRJFAPSA-N 2 2 379.548 3.878 20 0 GHADLP Cc1cc(Cl)c(NC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)cc1O ZINC001198030949 874188569 /nfs/dbraw/zinc/18/85/69/874188569.db2.gz QDWAVTBTVZRRRF-UHFFFAOYSA-N 2 2 389.927 3.990 20 0 GHADLP Cc1cc(Cl)c(NC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)cc1O ZINC001198030949 874188575 /nfs/dbraw/zinc/18/85/75/874188575.db2.gz QDWAVTBTVZRRRF-UHFFFAOYSA-N 2 2 389.927 3.990 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NCC(C)(C)CC(F)(F)F)cc1 ZINC001198042059 874195072 /nfs/dbraw/zinc/19/50/72/874195072.db2.gz PDMCKWNSQIZDFZ-UHFFFAOYSA-N 2 2 387.490 3.779 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NCC(C)(C)CC(F)(F)F)cc1 ZINC001198042059 874195076 /nfs/dbraw/zinc/19/50/76/874195076.db2.gz PDMCKWNSQIZDFZ-UHFFFAOYSA-N 2 2 387.490 3.779 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449111831 874522314 /nfs/dbraw/zinc/52/23/14/874522314.db2.gz OIHHWIAZGYEMFH-HOJAQTOUSA-N 2 2 377.960 3.508 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449111831 874522324 /nfs/dbraw/zinc/52/23/24/874522324.db2.gz OIHHWIAZGYEMFH-HOJAQTOUSA-N 2 2 377.960 3.508 20 0 GHADLP C[C@@H](C[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449142910 874531775 /nfs/dbraw/zinc/53/17/75/874531775.db2.gz VDJRRQQKIVQHEF-ROUUACIJSA-N 2 2 388.577 3.913 20 0 GHADLP Cc1cnc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)s1 ZINC000449151450 874540412 /nfs/dbraw/zinc/54/04/12/874540412.db2.gz AOAKZBCAQZMJDJ-UHFFFAOYSA-N 2 2 384.471 3.512 20 0 GHADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449189849 874566558 /nfs/dbraw/zinc/56/65/58/874566558.db2.gz VDVIIHCOQXTOAJ-UHFFFAOYSA-N 2 2 377.529 3.928 20 0 GHADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464846112 874624176 /nfs/dbraw/zinc/62/41/76/874624176.db2.gz QRTMTQZSLNVBTN-RBBKRZOGSA-N 2 2 379.548 3.660 20 0 GHADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464846112 874624184 /nfs/dbraw/zinc/62/41/84/874624184.db2.gz QRTMTQZSLNVBTN-RBBKRZOGSA-N 2 2 379.548 3.660 20 0 GHADLP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464846112 874624188 /nfs/dbraw/zinc/62/41/88/874624188.db2.gz QRTMTQZSLNVBTN-RBBKRZOGSA-N 2 2 379.548 3.660 20 0 GHADLP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464846112 874624192 /nfs/dbraw/zinc/62/41/92/874624192.db2.gz QRTMTQZSLNVBTN-RBBKRZOGSA-N 2 2 379.548 3.660 20 0 GHADLP COc1ccc(C)cc1C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449524627 874999130 /nfs/dbraw/zinc/99/91/30/874999130.db2.gz SAYSDLSCAZFAKK-UHFFFAOYSA-N 2 2 381.520 3.716 20 0 GHADLP C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542131966 875026757 /nfs/dbraw/zinc/02/67/57/875026757.db2.gz DNMRZJHZPWELTL-IBGZPJMESA-N 2 2 380.536 3.743 20 0 GHADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccn3)C[C@@H]1C)CCO2 ZINC000178402894 882912644 /nfs/dbraw/zinc/91/26/44/882912644.db2.gz LUBRILJATGEEFS-MTNREXPMSA-N 2 2 381.520 3.804 20 0 GHADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccn3)C[C@@H]1C)CCO2 ZINC000178402894 882912652 /nfs/dbraw/zinc/91/26/52/882912652.db2.gz LUBRILJATGEEFS-MTNREXPMSA-N 2 2 381.520 3.804 20 0 GHADLP COc1ccc([C@H]2[C@H](COC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[N@@H+]2C)cc1 ZINC000776091940 875328715 /nfs/dbraw/zinc/32/87/15/875328715.db2.gz ZJJXJZUAVALOIQ-UGKGYDQZSA-N 2 2 391.471 3.731 20 0 GHADLP COc1ccc([C@H]2[C@H](COC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[N@H+]2C)cc1 ZINC000776091940 875328727 /nfs/dbraw/zinc/32/87/27/875328727.db2.gz ZJJXJZUAVALOIQ-UGKGYDQZSA-N 2 2 391.471 3.731 20 0 GHADLP FC(F)(F)c1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(C(F)(F)F)c1 ZINC000771945039 875565497 /nfs/dbraw/zinc/56/54/97/875565497.db2.gz FKFIIJSKTVAALU-HUUCEWRRSA-N 2 2 382.348 3.677 20 0 GHADLP FC(F)(F)c1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc(C(F)(F)F)c1 ZINC000771945039 875565509 /nfs/dbraw/zinc/56/55/09/875565509.db2.gz FKFIIJSKTVAALU-HUUCEWRRSA-N 2 2 382.348 3.677 20 0 GHADLP CSc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000450229732 876125749 /nfs/dbraw/zinc/12/57/49/876125749.db2.gz XSOBENGUKKRDPX-LEWJYISDSA-N 2 2 389.609 3.818 20 0 GHADLP CSc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000450229732 876125759 /nfs/dbraw/zinc/12/57/59/876125759.db2.gz XSOBENGUKKRDPX-LEWJYISDSA-N 2 2 389.609 3.818 20 0 GHADLP Cc1nc(C2CC2)ccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450354201 876318512 /nfs/dbraw/zinc/31/85/12/876318512.db2.gz KAFITGKXPQSYPZ-GOTSBHOMSA-N 2 2 398.595 3.677 20 0 GHADLP Cc1nc(C2CC2)ccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450354201 876318525 /nfs/dbraw/zinc/31/85/25/876318525.db2.gz KAFITGKXPQSYPZ-GOTSBHOMSA-N 2 2 398.595 3.677 20 0 GHADLP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000192800662 883022946 /nfs/dbraw/zinc/02/29/46/883022946.db2.gz FPXOIQKJDMVZGY-UHFFFAOYSA-N 2 2 399.410 3.532 20 0 GHADLP C[C@@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450458248 876463757 /nfs/dbraw/zinc/46/37/57/876463757.db2.gz HXRWULBFYFLQCF-ZDUSSCGKSA-N 2 2 395.320 3.574 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000450494247 876525852 /nfs/dbraw/zinc/52/58/52/876525852.db2.gz KHNJGXHVDMRYIZ-LJQANCHMSA-N 2 2 392.609 3.957 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000450494247 876525869 /nfs/dbraw/zinc/52/58/69/876525869.db2.gz KHNJGXHVDMRYIZ-LJQANCHMSA-N 2 2 392.609 3.957 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000460504404 883044400 /nfs/dbraw/zinc/04/44/00/883044400.db2.gz QERXUBDJBVGSDD-UHFFFAOYSA-N 2 2 384.351 3.674 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C2)CC1 ZINC000537659812 883055584 /nfs/dbraw/zinc/05/55/84/883055584.db2.gz RMURQUQRXOVDPG-MRXNPFEDSA-N 2 2 389.893 3.959 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C2)CC1 ZINC000537659812 883055598 /nfs/dbraw/zinc/05/55/98/883055598.db2.gz RMURQUQRXOVDPG-MRXNPFEDSA-N 2 2 389.893 3.959 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)CC2)cc1 ZINC000850160401 876705486 /nfs/dbraw/zinc/70/54/86/876705486.db2.gz TVTZXFMJAVIUSU-XMMPIXPASA-N 2 2 395.547 3.679 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)c1nnnn1-c1ccccc1 ZINC000173921284 876725051 /nfs/dbraw/zinc/72/50/51/876725051.db2.gz FTXBMBAXDZBRLO-IBGZPJMESA-N 2 2 390.535 3.745 20 0 GHADLP COC(=O)c1nc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)ccc1Cl ZINC000850512574 876982997 /nfs/dbraw/zinc/98/29/97/876982997.db2.gz HMGDXXNATJKSSD-RDTXWAMCSA-N 2 2 379.932 3.654 20 0 GHADLP CC[N@H+](CCC(=O)Nc1ccccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391048 877002689 /nfs/dbraw/zinc/00/26/89/877002689.db2.gz QXQYFTBDJSPPQQ-UHFFFAOYSA-N 2 2 384.499 3.788 20 0 GHADLP CC[N@@H+](CCC(=O)Nc1ccccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391048 877002700 /nfs/dbraw/zinc/00/27/00/877002700.db2.gz QXQYFTBDJSPPQQ-UHFFFAOYSA-N 2 2 384.499 3.788 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000850577021 877047781 /nfs/dbraw/zinc/04/77/81/877047781.db2.gz RGGZNMKYIVWQHO-KRWDZBQOSA-N 2 2 375.476 3.643 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(Br)nn2C)CC1 ZINC000787201653 877247902 /nfs/dbraw/zinc/24/79/02/877247902.db2.gz KQXALUMXXCLTBJ-OAHLLOKOSA-N 2 2 383.378 3.659 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(Br)nn2C)CC1 ZINC000787201653 877247921 /nfs/dbraw/zinc/24/79/21/877247921.db2.gz KQXALUMXXCLTBJ-OAHLLOKOSA-N 2 2 383.378 3.659 20 0 GHADLP Brc1cccc(-c2c[nH]c(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)n2)c1 ZINC000666995688 877394733 /nfs/dbraw/zinc/39/47/33/877394733.db2.gz WMBARAYLXLTLCK-HNNXBMFYSA-N 2 2 375.314 3.604 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cccc(CC[NH+]3CCCC3)c1)C2 ZINC000530288971 877449749 /nfs/dbraw/zinc/44/97/49/877449749.db2.gz NXDALNOCATXADM-SFHVURJKSA-N 2 2 380.536 3.915 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccc(CC[NH+]3CCCC3)c1)CC2 ZINC000530288971 877449760 /nfs/dbraw/zinc/44/97/60/877449760.db2.gz NXDALNOCATXADM-SFHVURJKSA-N 2 2 380.536 3.915 20 0 GHADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000667002660 877511002 /nfs/dbraw/zinc/51/10/02/877511002.db2.gz UMJQOJVFXWUWLX-NHCUHLMSSA-N 2 2 380.536 3.605 20 0 GHADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000667002660 877511019 /nfs/dbraw/zinc/51/10/19/877511019.db2.gz UMJQOJVFXWUWLX-NHCUHLMSSA-N 2 2 380.536 3.605 20 0 GHADLP COCc1cccc(OCC2(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)CC2)c1 ZINC000477366477 877522777 /nfs/dbraw/zinc/52/27/77/877522777.db2.gz HKUWBUHOKKKJJD-HXUWFJFHSA-N 2 2 381.520 3.821 20 0 GHADLP COCc1cccc(OCC2(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)CC2)c1 ZINC000477366477 877522786 /nfs/dbraw/zinc/52/27/86/877522786.db2.gz HKUWBUHOKKKJJD-HXUWFJFHSA-N 2 2 381.520 3.821 20 0 GHADLP CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000615442394 877739898 /nfs/dbraw/zinc/73/98/98/877739898.db2.gz HXYGJCCFVPGLMJ-UHFFFAOYSA-N 2 2 378.476 3.845 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)[C@@H](C)C1 ZINC000245428689 877865934 /nfs/dbraw/zinc/86/59/34/877865934.db2.gz MQVANERAOFPLFZ-FXAWDEMLSA-N 2 2 377.548 3.615 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)[C@@H](C)C1 ZINC000245428689 877865946 /nfs/dbraw/zinc/86/59/46/877865946.db2.gz MQVANERAOFPLFZ-FXAWDEMLSA-N 2 2 377.548 3.615 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)[C@@H](C)C1 ZINC000245428689 877865956 /nfs/dbraw/zinc/86/59/56/877865956.db2.gz MQVANERAOFPLFZ-FXAWDEMLSA-N 2 2 377.548 3.615 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)[C@@H](C)C1 ZINC000245428689 877865962 /nfs/dbraw/zinc/86/59/62/877865962.db2.gz MQVANERAOFPLFZ-FXAWDEMLSA-N 2 2 377.548 3.615 20 0 GHADLP CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000245448738 877901478 /nfs/dbraw/zinc/90/14/78/877901478.db2.gz NCBDQHZIOXIZBX-NZQKXSOJSA-N 2 2 399.579 3.557 20 0 GHADLP CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000245448738 877901494 /nfs/dbraw/zinc/90/14/94/877901494.db2.gz NCBDQHZIOXIZBX-NZQKXSOJSA-N 2 2 399.579 3.557 20 0 GHADLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3COC4(CCCCCC4)O3)CC2)cc1 ZINC000180011667 878327648 /nfs/dbraw/zinc/32/76/48/878327648.db2.gz OAMFEKPXWMQSPX-JOCHJYFZSA-N 2 2 383.536 3.578 20 0 GHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245691400 878396902 /nfs/dbraw/zinc/39/69/02/878396902.db2.gz QJRHSNCZUNLDSD-SPYBWZPUSA-N 2 2 392.906 3.606 20 0 GHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245691400 878396916 /nfs/dbraw/zinc/39/69/16/878396916.db2.gz QJRHSNCZUNLDSD-SPYBWZPUSA-N 2 2 392.906 3.606 20 0 GHADLP CC(C)C[C@H](C)OCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245695881 878406710 /nfs/dbraw/zinc/40/67/10/878406710.db2.gz KLHPKLGHWODQEK-NNWRFLSQSA-N 2 2 395.632 3.623 20 0 GHADLP CC(C)C[C@H](C)OCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245695881 878406717 /nfs/dbraw/zinc/40/67/17/878406717.db2.gz KLHPKLGHWODQEK-NNWRFLSQSA-N 2 2 395.632 3.623 20 0 GHADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000177260067 878622265 /nfs/dbraw/zinc/62/22/65/878622265.db2.gz XFSAUFBYSUAXBS-HSZRJFAPSA-N 2 2 390.506 3.852 20 0 GHADLP OC1CC[NH+](CCC[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000238151203 878811170 /nfs/dbraw/zinc/81/11/70/878811170.db2.gz SJKIFXJMGOMUCD-UHFFFAOYSA-N 2 2 393.325 3.646 20 0 GHADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000538309118 879266018 /nfs/dbraw/zinc/26/60/18/879266018.db2.gz NGNNZNDCWARKOR-UHFFFAOYSA-N 2 2 380.536 3.660 20 0 GHADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000538309118 879266034 /nfs/dbraw/zinc/26/60/34/879266034.db2.gz NGNNZNDCWARKOR-UHFFFAOYSA-N 2 2 380.536 3.660 20 0 GHADLP Clc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1Br ZINC000538308365 879267715 /nfs/dbraw/zinc/26/77/15/879267715.db2.gz ODXULFIUYJGWJR-UHFFFAOYSA-N 2 2 387.749 3.647 20 0 GHADLP O=C1O[C@@]2(CN1C[N@@H+]1CCCC[C@H]1c1cc3ccccc3[nH]1)C[NH+]1CCC2CC1 ZINC000790362633 879630973 /nfs/dbraw/zinc/63/09/73/879630973.db2.gz MSLFMKAEPIGQCH-JTHBVZDNSA-N 2 2 394.519 3.569 20 0 GHADLP O=C1O[C@@]2(CN1C[N@H+]1CCCC[C@H]1c1cc3ccccc3[nH]1)C[NH+]1CCC2CC1 ZINC000790362633 879630981 /nfs/dbraw/zinc/63/09/81/879630981.db2.gz MSLFMKAEPIGQCH-JTHBVZDNSA-N 2 2 394.519 3.569 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246577281 879697062 /nfs/dbraw/zinc/69/70/62/879697062.db2.gz LUCIAMUMMZSSMJ-IKLNAOFOSA-N 2 2 381.564 3.692 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246577281 879697070 /nfs/dbraw/zinc/69/70/70/879697070.db2.gz LUCIAMUMMZSSMJ-IKLNAOFOSA-N 2 2 381.564 3.692 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246577281 879697076 /nfs/dbraw/zinc/69/70/76/879697076.db2.gz LUCIAMUMMZSSMJ-IKLNAOFOSA-N 2 2 381.564 3.692 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246577281 879697081 /nfs/dbraw/zinc/69/70/81/879697081.db2.gz LUCIAMUMMZSSMJ-IKLNAOFOSA-N 2 2 381.564 3.692 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(F)cc1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538587435 879723504 /nfs/dbraw/zinc/72/35/04/879723504.db2.gz CTUCNGJXTQUINE-MRXNPFEDSA-N 2 2 399.514 3.580 20 0 GHADLP CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc2c(c1)OCCO2 ZINC000538591248 879806341 /nfs/dbraw/zinc/80/63/41/879806341.db2.gz KNIATWRFJJOTJF-HXUWFJFHSA-N 2 2 396.535 3.946 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000139884763 879825765 /nfs/dbraw/zinc/82/57/65/879825765.db2.gz MPGSZTJASWIWSL-UTKZUKDTSA-N 2 2 381.520 3.636 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000139884763 879825790 /nfs/dbraw/zinc/82/57/90/879825790.db2.gz MPGSZTJASWIWSL-UTKZUKDTSA-N 2 2 381.520 3.636 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139884763 879825804 /nfs/dbraw/zinc/82/58/04/879825804.db2.gz MPGSZTJASWIWSL-UTKZUKDTSA-N 2 2 381.520 3.636 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139884763 879825816 /nfs/dbraw/zinc/82/58/16/879825816.db2.gz MPGSZTJASWIWSL-UTKZUKDTSA-N 2 2 381.520 3.636 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000246928715 879852887 /nfs/dbraw/zinc/85/28/87/879852887.db2.gz HAUDDAWNZLLKIE-GUDVDZBRSA-N 2 2 391.519 3.732 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC000112921604 880221877 /nfs/dbraw/zinc/22/18/77/880221877.db2.gz KVFWONZSDCMLOC-VAWYXSNFSA-N 2 2 399.579 3.506 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC000112921604 880221890 /nfs/dbraw/zinc/22/18/90/880221890.db2.gz KVFWONZSDCMLOC-VAWYXSNFSA-N 2 2 399.579 3.506 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cc(-c2ccccc2)nn1C ZINC000453098556 880423272 /nfs/dbraw/zinc/42/32/72/880423272.db2.gz VBUKGJCBQCJISF-IBGZPJMESA-N 2 2 390.531 3.770 20 0 GHADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000532016318 880929818 /nfs/dbraw/zinc/92/98/18/880929818.db2.gz SVQPOLIOEXMZFD-MOPGFXCFSA-N 2 2 376.447 3.692 20 0 GHADLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCc1nc(-c2ccccc2)cs1 ZINC001170242916 881257355 /nfs/dbraw/zinc/25/73/55/881257355.db2.gz LOTCAPPCQUFVOQ-UHFFFAOYSA-N 2 2 394.548 3.696 20 0 GHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccnn1-c1ccccc1 ZINC000467350723 881317408 /nfs/dbraw/zinc/31/74/08/881317408.db2.gz TVTXORMOCVGLGM-GOSISDBHSA-N 2 2 390.535 3.971 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000182091401 883182364 /nfs/dbraw/zinc/18/23/64/883182364.db2.gz UOEURIDAVLITAW-IBGZPJMESA-N 2 2 376.504 3.849 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000182091401 883182367 /nfs/dbraw/zinc/18/23/67/883182367.db2.gz UOEURIDAVLITAW-IBGZPJMESA-N 2 2 376.504 3.849 20 0 GHADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)c(Cl)c1 ZINC000476829641 883234806 /nfs/dbraw/zinc/23/48/06/883234806.db2.gz ZVNJZWPTJSBTJH-KRWDZBQOSA-N 2 2 395.975 3.763 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)C[C@@H]1c1ccccc1 ZINC000551084251 883258179 /nfs/dbraw/zinc/25/81/79/883258179.db2.gz UFMLWBHCKIDKRX-FBBABVLZSA-N 2 2 383.923 3.870 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)C[C@@H]1c1ccccc1 ZINC000551084251 883258194 /nfs/dbraw/zinc/25/81/94/883258194.db2.gz UFMLWBHCKIDKRX-FBBABVLZSA-N 2 2 383.923 3.870 20 0 GHADLP CCC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000551386787 883779999 /nfs/dbraw/zinc/77/99/99/883779999.db2.gz DCSAIPQLADLBFG-GPJHCHHRSA-N 2 2 386.580 3.803 20 0 GHADLP CCC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000551386787 883780007 /nfs/dbraw/zinc/78/00/07/883780007.db2.gz DCSAIPQLADLBFG-GPJHCHHRSA-N 2 2 386.580 3.803 20 0 GHADLP CCC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000551386787 883780012 /nfs/dbraw/zinc/78/00/12/883780012.db2.gz DCSAIPQLADLBFG-GPJHCHHRSA-N 2 2 386.580 3.803 20 0 GHADLP CCC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000551386787 883780017 /nfs/dbraw/zinc/78/00/17/883780017.db2.gz DCSAIPQLADLBFG-GPJHCHHRSA-N 2 2 386.580 3.803 20 0 GHADLP OCC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCCc2ccccc21 ZINC000551387834 883782442 /nfs/dbraw/zinc/78/24/42/883782442.db2.gz VZGZMYQXVVFDSZ-UKILVPOCSA-N 2 2 394.559 3.649 20 0 GHADLP OCC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCCc2ccccc21 ZINC000551387834 883782453 /nfs/dbraw/zinc/78/24/53/883782453.db2.gz VZGZMYQXVVFDSZ-UKILVPOCSA-N 2 2 394.559 3.649 20 0 GHADLP OCC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCc2ccccc21 ZINC000551387834 883782464 /nfs/dbraw/zinc/78/24/64/883782464.db2.gz VZGZMYQXVVFDSZ-UKILVPOCSA-N 2 2 394.559 3.649 20 0 GHADLP OCC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCc2ccccc21 ZINC000551387834 883782474 /nfs/dbraw/zinc/78/24/74/883782474.db2.gz VZGZMYQXVVFDSZ-UKILVPOCSA-N 2 2 394.559 3.649 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cccn2)cc1 ZINC000551391791 883790711 /nfs/dbraw/zinc/79/07/11/883790711.db2.gz OKHMQSWIMJFYNC-HYBUGGRVSA-N 2 2 390.531 3.814 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cccn2)cc1 ZINC000551391791 883790718 /nfs/dbraw/zinc/79/07/18/883790718.db2.gz OKHMQSWIMJFYNC-HYBUGGRVSA-N 2 2 390.531 3.814 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCC(=O)N2 ZINC000551394652 883803610 /nfs/dbraw/zinc/80/36/10/883803610.db2.gz KWOUMZJDNHDKMT-PGRDOPGGSA-N 2 2 393.531 3.513 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCC(=O)N2 ZINC000551394652 883803627 /nfs/dbraw/zinc/80/36/27/883803627.db2.gz KWOUMZJDNHDKMT-PGRDOPGGSA-N 2 2 393.531 3.513 20 0 GHADLP C[C@@H]([NH3+])C1CCC(C(=O)N=C2C=C[NH+](c3cccc4c3ccn4C)C=C2)CC1 ZINC001170493433 884217644 /nfs/dbraw/zinc/21/76/44/884217644.db2.gz OMYNUXFQIPZRTH-WWDZGPRUSA-N 2 2 376.504 3.550 20 0 GHADLP CO/C=C/c1ccc([NH+]2C=CC(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)C=C2)cc1 ZINC001170496581 884323870 /nfs/dbraw/zinc/32/38/70/884323870.db2.gz UFSCBBDOIFDBIT-DQBZEAQNSA-N 2 2 379.504 3.675 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495004398 884341640 /nfs/dbraw/zinc/34/16/40/884341640.db2.gz LUBCFJFHEJKWQW-CSODHUTKSA-N 2 2 380.536 3.734 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495004398 884341661 /nfs/dbraw/zinc/34/16/61/884341661.db2.gz LUBCFJFHEJKWQW-CSODHUTKSA-N 2 2 380.536 3.734 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc2c(c1)CCCC2 ZINC000495004401 884342369 /nfs/dbraw/zinc/34/23/69/884342369.db2.gz LUBCFJFHEJKWQW-XGHQBKJUSA-N 2 2 380.536 3.734 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc2c(c1)CCCC2 ZINC000495004401 884342385 /nfs/dbraw/zinc/34/23/85/884342385.db2.gz LUBCFJFHEJKWQW-XGHQBKJUSA-N 2 2 380.536 3.734 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000495079805 884504884 /nfs/dbraw/zinc/50/48/84/884504884.db2.gz BDXHMWKCOGAMBE-MSOLQXFVSA-N 2 2 391.968 3.615 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000495079805 884504894 /nfs/dbraw/zinc/50/48/94/884504894.db2.gz BDXHMWKCOGAMBE-MSOLQXFVSA-N 2 2 391.968 3.615 20 0 GHADLP c1n[nH]c([C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)C2CCCCC2)n1 ZINC000495089412 884517844 /nfs/dbraw/zinc/51/78/44/884517844.db2.gz FZVIAECTUGPHCR-JOCHJYFZSA-N 2 2 397.567 3.733 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000550586967 885060738 /nfs/dbraw/zinc/06/07/38/885060738.db2.gz FMMMPGJQYKDNPO-RBUKOAKNSA-N 2 2 377.532 3.607 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000666451809 885099786 /nfs/dbraw/zinc/09/97/86/885099786.db2.gz PIRLCNLRZAAHDQ-QGZVFWFLSA-N 2 2 379.508 3.596 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000666451809 885099807 /nfs/dbraw/zinc/09/98/07/885099807.db2.gz PIRLCNLRZAAHDQ-QGZVFWFLSA-N 2 2 379.508 3.596 20 0 GHADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCO2 ZINC000556502936 885186477 /nfs/dbraw/zinc/18/64/77/885186477.db2.gz DDVMKHBFTDGOJK-FCHUYYIVSA-N 2 2 396.531 3.790 20 0 GHADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCO2 ZINC000556502936 885186484 /nfs/dbraw/zinc/18/64/84/885186484.db2.gz DDVMKHBFTDGOJK-FCHUYYIVSA-N 2 2 396.531 3.790 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(N2CCOCC2)c1 ZINC000532451018 885500577 /nfs/dbraw/zinc/50/05/77/885500577.db2.gz QXELVLPJJDUXKF-LJQANCHMSA-N 2 2 376.504 3.619 20 0 GHADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]C1CCN(c2cnccn2)CC1 ZINC000532510961 885901826 /nfs/dbraw/zinc/90/18/26/885901826.db2.gz BECITECPNYFMRO-QFIPXVFZSA-N 2 2 393.579 3.508 20 0 GHADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]C1CCN(c2cnccn2)CC1 ZINC000532510961 885901840 /nfs/dbraw/zinc/90/18/40/885901840.db2.gz BECITECPNYFMRO-QFIPXVFZSA-N 2 2 393.579 3.508 20 0 GHADLP CC[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)C1(C(=O)OC)CCC1 ZINC000498934994 886171121 /nfs/dbraw/zinc/17/11/21/886171121.db2.gz UNOVESJKPRNHOW-UYAOXDASSA-N 2 2 388.552 3.598 20 0 GHADLP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000862275874 886273361 /nfs/dbraw/zinc/27/33/61/886273361.db2.gz MPSXMDMQFLGWAU-HNNXBMFYSA-N 2 2 384.471 3.508 20 0 GHADLP C[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173451561 886279428 /nfs/dbraw/zinc/27/94/28/886279428.db2.gz ZGJZXXCRANUNKC-QUCCMNQESA-N 2 2 381.524 3.593 20 0 GHADLP CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868153 886294175 /nfs/dbraw/zinc/29/41/75/886294175.db2.gz XZRRXOCWWMFPHZ-OAHLLOKOSA-N 2 2 385.508 3.626 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000287007308 913029239 /nfs/dbraw/zinc/02/92/39/913029239.db2.gz HLJJBJGIZNNJPO-MJGOQNOKSA-N 2 2 391.519 3.692 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000119042525 886388948 /nfs/dbraw/zinc/38/89/48/886388948.db2.gz VKGMNDLDBOKHKS-IBGZPJMESA-N 2 2 387.572 3.570 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000119042525 886388967 /nfs/dbraw/zinc/38/89/67/886388967.db2.gz VKGMNDLDBOKHKS-IBGZPJMESA-N 2 2 387.572 3.570 20 0 GHADLP Cc1ccccc1C[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499034724 886426454 /nfs/dbraw/zinc/42/64/54/886426454.db2.gz UYGMQTZFKYZIMX-UHFFFAOYSA-N 2 2 383.561 3.614 20 0 GHADLP Cc1ccccc1C[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499034724 886426465 /nfs/dbraw/zinc/42/64/65/886426465.db2.gz UYGMQTZFKYZIMX-UHFFFAOYSA-N 2 2 383.561 3.614 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c4c3cccc4F)CC2)C1 ZINC001137052877 886435447 /nfs/dbraw/zinc/43/54/47/886435447.db2.gz PXCZLQPMSNXUPA-INIZCTEOSA-N 2 2 387.499 3.547 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c4c3cccc4F)CC2)C1 ZINC001137052877 886435453 /nfs/dbraw/zinc/43/54/53/886435453.db2.gz PXCZLQPMSNXUPA-INIZCTEOSA-N 2 2 387.499 3.547 20 0 GHADLP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000119096603 886635364 /nfs/dbraw/zinc/63/53/64/886635364.db2.gz UETJZNQGDMLSQP-FUHWJXTLSA-N 2 2 386.927 3.706 20 0 GHADLP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000119096603 886635378 /nfs/dbraw/zinc/63/53/78/886635378.db2.gz UETJZNQGDMLSQP-FUHWJXTLSA-N 2 2 386.927 3.706 20 0 GHADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000132218043 886740182 /nfs/dbraw/zinc/74/01/82/886740182.db2.gz IXFCBTCUEPGZIH-IBGZPJMESA-N 2 2 388.515 3.952 20 0 GHADLP CC1CC[NH+](CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)CC1 ZINC001168499122 887459313 /nfs/dbraw/zinc/45/93/13/887459313.db2.gz ARZVXYXXKNLZLF-HOTGVXAUSA-N 2 2 393.494 3.638 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000105112596 887654052 /nfs/dbraw/zinc/65/40/52/887654052.db2.gz YMGBSCCSWCIHEM-UHFFFAOYSA-N 2 2 395.551 3.546 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3sc4ccccc4c3Cl)CC2)CC1 ZINC000050800982 887709738 /nfs/dbraw/zinc/70/97/38/887709738.db2.gz KSJQKZRRMOTRQM-UHFFFAOYSA-N 2 2 391.968 3.843 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000809718679 887739946 /nfs/dbraw/zinc/73/99/46/887739946.db2.gz XEOFQKUABNVXLE-UWVAXJGDSA-N 2 2 388.556 3.674 20 0 GHADLP O=C(C[NH2+][C@H](c1ccccc1)C1CCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000532688530 887801894 /nfs/dbraw/zinc/80/18/94/887801894.db2.gz OACVTFHNXKMNHZ-JOCHJYFZSA-N 2 2 383.561 3.523 20 0 GHADLP CN(CCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(=O)OC(C)(C)C ZINC000120272884 888038653 /nfs/dbraw/zinc/03/86/53/888038653.db2.gz JEOKJWVHFMIPNP-UHFFFAOYSA-N 2 2 390.572 3.568 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000809995375 888052945 /nfs/dbraw/zinc/05/29/45/888052945.db2.gz QEDBCDKHFAGHTQ-GOSISDBHSA-N 2 2 380.410 3.986 20 0 GHADLP C[N@H+](Cc1ccccc1C[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)C1CCCCC1 ZINC000865425502 888343020 /nfs/dbraw/zinc/34/30/20/888343020.db2.gz MZFCNPLJPZIFDM-QHCPKHFHSA-N 2 2 397.567 3.511 20 0 GHADLP C[N@@H+](Cc1ccccc1C[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)C1CCCCC1 ZINC000865425502 888343027 /nfs/dbraw/zinc/34/30/27/888343027.db2.gz MZFCNPLJPZIFDM-QHCPKHFHSA-N 2 2 397.567 3.511 20 0 GHADLP c1c(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc2n1Cc1ccccc1 ZINC000729683784 888533916 /nfs/dbraw/zinc/53/39/16/888533916.db2.gz AUBSXFRMEZKXFG-YADHBBJMSA-N 2 2 375.516 3.642 20 0 GHADLP c1c(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc2n1Cc1ccccc1 ZINC000729683784 888533927 /nfs/dbraw/zinc/53/39/27/888533927.db2.gz AUBSXFRMEZKXFG-YADHBBJMSA-N 2 2 375.516 3.642 20 0 GHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H](Cc1ccccn1)c1cccnc1)C2 ZINC000532802824 888977201 /nfs/dbraw/zinc/97/72/01/888977201.db2.gz WXSCPRVEFPBVEV-VQTJNVASSA-N 2 2 375.520 3.859 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@](C[NH3+])(C(C)(C)C)C3)n2)C1 ZINC000868095050 889291011 /nfs/dbraw/zinc/29/10/11/889291011.db2.gz OITHVLLAGJUKNR-FOIQADDNSA-N 2 2 393.601 3.604 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@](C[NH3+])(C(C)(C)C)C3)n2)C1 ZINC000868095050 889291025 /nfs/dbraw/zinc/29/10/25/889291025.db2.gz OITHVLLAGJUKNR-FOIQADDNSA-N 2 2 393.601 3.604 20 0 GHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000123664443 889359917 /nfs/dbraw/zinc/35/99/17/889359917.db2.gz WPOICVNPWAFWMT-QFIPXVFZSA-N 2 2 383.511 3.777 20 0 GHADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C1 ZINC000533106738 889783209 /nfs/dbraw/zinc/78/32/09/889783209.db2.gz YWYIOWLOGHXTHP-RBBKRZOGSA-N 2 2 397.950 3.525 20 0 GHADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C1 ZINC000533106738 889783216 /nfs/dbraw/zinc/78/32/16/889783216.db2.gz YWYIOWLOGHXTHP-RBBKRZOGSA-N 2 2 397.950 3.525 20 0 GHADLP CN(C(=O)c1cc2ccccc2n1C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124872831 889798481 /nfs/dbraw/zinc/79/84/81/889798481.db2.gz CIMVWRGJTPGFHG-VXKWHMMOSA-N 2 2 396.579 3.588 20 0 GHADLP CN(C(=O)c1cc2ccccc2n1C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124872831 889798486 /nfs/dbraw/zinc/79/84/86/889798486.db2.gz CIMVWRGJTPGFHG-VXKWHMMOSA-N 2 2 396.579 3.588 20 0 GHADLP Cc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1F ZINC000124884750 889803089 /nfs/dbraw/zinc/80/30/89/889803089.db2.gz JVXYXPDPTLITPJ-PMACEKPBSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1F ZINC000124884750 889803096 /nfs/dbraw/zinc/80/30/96/889803096.db2.gz JVXYXPDPTLITPJ-PMACEKPBSA-N 2 2 375.532 3.543 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000533119602 889817520 /nfs/dbraw/zinc/81/75/20/889817520.db2.gz BFODLIAZFHXRCQ-UYAOXDASSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000533119602 889817529 /nfs/dbraw/zinc/81/75/29/889817529.db2.gz BFODLIAZFHXRCQ-UYAOXDASSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000533119602 889817540 /nfs/dbraw/zinc/81/75/40/889817540.db2.gz BFODLIAZFHXRCQ-UYAOXDASSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000533119602 889817554 /nfs/dbraw/zinc/81/75/54/889817554.db2.gz BFODLIAZFHXRCQ-UYAOXDASSA-N 2 2 395.551 3.599 20 0 GHADLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c2ccccc2n1 ZINC000124992869 889840735 /nfs/dbraw/zinc/84/07/35/889840735.db2.gz XCEVFHKAWUAOAP-UWJYYQICSA-N 2 2 376.504 3.639 20 0 GHADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c2ccccc2n1 ZINC000124992869 889840738 /nfs/dbraw/zinc/84/07/38/889840738.db2.gz XCEVFHKAWUAOAP-UWJYYQICSA-N 2 2 376.504 3.639 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000125205594 889908684 /nfs/dbraw/zinc/90/86/84/889908684.db2.gz WSFLQULUUPYADM-UHFFFAOYSA-N 2 2 391.357 3.859 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000125205594 889908690 /nfs/dbraw/zinc/90/86/90/889908690.db2.gz WSFLQULUUPYADM-UHFFFAOYSA-N 2 2 391.357 3.859 20 0 GHADLP CCCOc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000125499929 890017988 /nfs/dbraw/zinc/01/79/88/890017988.db2.gz RCRLHSBVCQYNAB-UHFFFAOYSA-N 2 2 388.556 3.547 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C[N@@H+]1Cc1ccccc1 ZINC000533578629 890889893 /nfs/dbraw/zinc/88/98/93/890889893.db2.gz KODAOLXEOUVJBT-GIVPXCGWSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C[N@H+]1Cc1ccccc1 ZINC000533578629 890889904 /nfs/dbraw/zinc/88/99/04/890889904.db2.gz KODAOLXEOUVJBT-GIVPXCGWSA-N 2 2 395.551 3.599 20 0 GHADLP COc1cc(Cl)c(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000533584055 890898114 /nfs/dbraw/zinc/89/81/14/890898114.db2.gz WOFTUXQAFZVUEW-FQEVSTJZSA-N 2 2 395.330 3.729 20 0 GHADLP COc1cc(Cl)c(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000533584055 890898128 /nfs/dbraw/zinc/89/81/28/890898128.db2.gz WOFTUXQAFZVUEW-FQEVSTJZSA-N 2 2 395.330 3.729 20 0 GHADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C(F)(F)F ZINC000872149239 891183640 /nfs/dbraw/zinc/18/36/40/891183640.db2.gz MQPCDTFSSJPCQG-WMZOPIPTSA-N 2 2 377.410 3.508 20 0 GHADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C(F)(F)F ZINC000872149239 891183651 /nfs/dbraw/zinc/18/36/51/891183651.db2.gz MQPCDTFSSJPCQG-WMZOPIPTSA-N 2 2 377.410 3.508 20 0 GHADLP Cc1csc2nc(C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc(=O)n12 ZINC000246993502 891330933 /nfs/dbraw/zinc/33/09/33/891330933.db2.gz HZQBSPGNOUEDFB-OXJNMPFZSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1csc2nc(C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cc(=O)n12 ZINC000246993502 891330947 /nfs/dbraw/zinc/33/09/47/891330947.db2.gz HZQBSPGNOUEDFB-OXJNMPFZSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1csc2nc(C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cc(=O)n12 ZINC000246993502 891330964 /nfs/dbraw/zinc/33/09/64/891330964.db2.gz HZQBSPGNOUEDFB-OXJNMPFZSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1csc2nc(C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cc(=O)n12 ZINC000246993502 891330978 /nfs/dbraw/zinc/33/09/78/891330978.db2.gz HZQBSPGNOUEDFB-OXJNMPFZSA-N 2 2 396.560 3.549 20 0 GHADLP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000247014686 891333791 /nfs/dbraw/zinc/33/37/91/891333791.db2.gz LKYXBDAIRVKFCF-PGRDOPGGSA-N 2 2 395.551 3.612 20 0 GHADLP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000247014686 891333809 /nfs/dbraw/zinc/33/38/09/891333809.db2.gz LKYXBDAIRVKFCF-PGRDOPGGSA-N 2 2 395.551 3.612 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C[C@H]2[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000813788063 891975487 /nfs/dbraw/zinc/97/54/87/891975487.db2.gz VFDSDRPMZCSSIA-LJQANCHMSA-N 2 2 382.508 3.752 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCOCCc3ccccc3)CC2)cc1 ZINC000125318927 892470837 /nfs/dbraw/zinc/47/08/37/892470837.db2.gz UGMXTAFDLJSMIH-UHFFFAOYSA-N 2 2 381.564 3.960 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508711883 892831031 /nfs/dbraw/zinc/83/10/31/892831031.db2.gz PPMLHCMFLQAKFO-URXFXBBRSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508711883 892831049 /nfs/dbraw/zinc/83/10/49/892831049.db2.gz PPMLHCMFLQAKFO-URXFXBBRSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508711883 892831064 /nfs/dbraw/zinc/83/10/64/892831064.db2.gz PPMLHCMFLQAKFO-URXFXBBRSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508711883 892831080 /nfs/dbraw/zinc/83/10/80/892831080.db2.gz PPMLHCMFLQAKFO-URXFXBBRSA-N 3 2 377.576 3.935 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000428645290 893006550 /nfs/dbraw/zinc/00/65/50/893006550.db2.gz YNPIDUPGCXQGEU-HNNXBMFYSA-N 2 2 385.899 3.621 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000428645290 893006572 /nfs/dbraw/zinc/00/65/72/893006572.db2.gz YNPIDUPGCXQGEU-HNNXBMFYSA-N 2 2 385.899 3.621 20 0 GHADLP c1sc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)nc1-c1cc2ccccc2o1 ZINC000562959802 893219676 /nfs/dbraw/zinc/21/96/76/893219676.db2.gz ZQFWNYHULCUTML-IXDOHACOSA-N 2 2 383.517 3.803 20 0 GHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696174 893330523 /nfs/dbraw/zinc/33/05/23/893330523.db2.gz HYQXEFSXUWHHMQ-BJKOFHAPSA-N 2 2 398.639 3.785 20 0 GHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696174 893330538 /nfs/dbraw/zinc/33/05/38/893330538.db2.gz HYQXEFSXUWHHMQ-BJKOFHAPSA-N 2 2 398.639 3.785 20 0 GHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696174 893330554 /nfs/dbraw/zinc/33/05/54/893330554.db2.gz HYQXEFSXUWHHMQ-BJKOFHAPSA-N 2 2 398.639 3.785 20 0 GHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696174 893330570 /nfs/dbraw/zinc/33/05/70/893330570.db2.gz HYQXEFSXUWHHMQ-BJKOFHAPSA-N 2 2 398.639 3.785 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815078398 893424389 /nfs/dbraw/zinc/42/43/89/893424389.db2.gz BOKBWQBNFDMZOX-MRXNPFEDSA-N 2 2 386.721 3.529 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815078398 893424396 /nfs/dbraw/zinc/42/43/96/893424396.db2.gz BOKBWQBNFDMZOX-MRXNPFEDSA-N 2 2 386.721 3.529 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000444794245 893536308 /nfs/dbraw/zinc/53/63/08/893536308.db2.gz RIDDKKMWAXAXTM-VXKWHMMOSA-N 2 2 388.515 3.657 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000444794245 893536322 /nfs/dbraw/zinc/53/63/22/893536322.db2.gz RIDDKKMWAXAXTM-VXKWHMMOSA-N 2 2 388.515 3.657 20 0 GHADLP CN(c1ccccc1C[N@@H+]1CCOC[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000536695902 893561661 /nfs/dbraw/zinc/56/16/61/893561661.db2.gz MJMOWPABGOIXHN-XMMPIXPASA-N 2 2 379.548 3.791 20 0 GHADLP CN(c1ccccc1C[N@H+]1CCOC[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000536695902 893561677 /nfs/dbraw/zinc/56/16/77/893561677.db2.gz MJMOWPABGOIXHN-XMMPIXPASA-N 2 2 379.548 3.791 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[NH+](CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556075991 893639791 /nfs/dbraw/zinc/63/97/91/893639791.db2.gz GYJJCDMFPHSMJB-ZKMPZPQNSA-N 3 2 377.576 3.976 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[NH+](CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556075991 893639795 /nfs/dbraw/zinc/63/97/95/893639795.db2.gz GYJJCDMFPHSMJB-ZKMPZPQNSA-N 3 2 377.576 3.976 20 0 GHADLP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556075991 893639801 /nfs/dbraw/zinc/63/98/01/893639801.db2.gz GYJJCDMFPHSMJB-ZKMPZPQNSA-N 3 2 377.576 3.976 20 0 GHADLP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556075991 893639808 /nfs/dbraw/zinc/63/98/08/893639808.db2.gz GYJJCDMFPHSMJB-ZKMPZPQNSA-N 3 2 377.576 3.976 20 0 GHADLP CC(C)N1C(=O)C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000459492174 893662365 /nfs/dbraw/zinc/66/23/65/893662365.db2.gz YETDPSZSFXETAQ-FPOVZHCZSA-N 2 2 393.934 3.746 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556120338 893839215 /nfs/dbraw/zinc/83/92/15/893839215.db2.gz OKIRDFNMSNZKEF-ODTAKUCXSA-N 2 2 389.543 3.569 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556120338 893839228 /nfs/dbraw/zinc/83/92/28/893839228.db2.gz OKIRDFNMSNZKEF-ODTAKUCXSA-N 2 2 389.543 3.569 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccccc1SC(C)(C)C ZINC000815580690 894020443 /nfs/dbraw/zinc/02/04/43/894020443.db2.gz PCUGYVYOEAUFCZ-MOPGFXCFSA-N 2 2 391.625 3.634 20 0 GHADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC1 ZINC000459690165 894078711 /nfs/dbraw/zinc/07/87/11/894078711.db2.gz IQHRPTIESDKEAV-VKSDOSABSA-N 2 2 378.582 3.954 20 0 GHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](Cc3cccs3)C3CC3)CC2)cc1 ZINC000537260493 894640851 /nfs/dbraw/zinc/64/08/51/894640851.db2.gz WEOWNVQKIUBSGP-UHFFFAOYSA-N 2 2 397.588 3.755 20 0 GHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](Cc3cccs3)C3CC3)CC2)cc1 ZINC000537260493 894640858 /nfs/dbraw/zinc/64/08/58/894640858.db2.gz WEOWNVQKIUBSGP-UHFFFAOYSA-N 2 2 397.588 3.755 20 0 GHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](Cc3cccs3)C3CC3)CC2)cc1 ZINC000537260493 894640866 /nfs/dbraw/zinc/64/08/66/894640866.db2.gz WEOWNVQKIUBSGP-UHFFFAOYSA-N 2 2 397.588 3.755 20 0 GHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](Cc3cccs3)C3CC3)CC2)cc1 ZINC000537260493 894640874 /nfs/dbraw/zinc/64/08/74/894640874.db2.gz WEOWNVQKIUBSGP-UHFFFAOYSA-N 2 2 397.588 3.755 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(Cl)c4cccnc34)[nH+]c2)CC1 ZINC000537326667 894779360 /nfs/dbraw/zinc/77/93/60/894779360.db2.gz YPCGJIZCNHVSQP-UHFFFAOYSA-N 2 2 395.938 3.848 20 0 GHADLP CC1([NH+]2CCC2)CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000879033601 894796826 /nfs/dbraw/zinc/79/68/26/894796826.db2.gz OJRBVXSUOQNGDZ-UHFFFAOYSA-N 2 2 391.519 3.694 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)NCCc3ccccc3)C2)s1 ZINC000565049901 895370146 /nfs/dbraw/zinc/37/01/46/895370146.db2.gz UGDJKKRSIGHQKQ-TZIWHRDSSA-N 2 2 399.604 3.558 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)NCCc3ccccc3)C2)s1 ZINC000565049901 895370163 /nfs/dbraw/zinc/37/01/63/895370163.db2.gz UGDJKKRSIGHQKQ-TZIWHRDSSA-N 2 2 399.604 3.558 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NCCc3ccccc3)C2)s1 ZINC000565049901 895370178 /nfs/dbraw/zinc/37/01/78/895370178.db2.gz UGDJKKRSIGHQKQ-TZIWHRDSSA-N 2 2 399.604 3.558 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NCCc3ccccc3)C2)s1 ZINC000565049901 895370196 /nfs/dbraw/zinc/37/01/96/895370196.db2.gz UGDJKKRSIGHQKQ-TZIWHRDSSA-N 2 2 399.604 3.558 20 0 GHADLP Cc1nccnc1[C@H](C)[NH2+]CC(C[NH2+][C@@H](C)c1nccnc1C)C1CCCC1 ZINC000880109837 895522029 /nfs/dbraw/zinc/52/20/29/895522029.db2.gz JNNZJCYRSSIPPX-ROUUACIJSA-N 2 2 382.556 3.691 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001135954145 895762164 /nfs/dbraw/zinc/76/21/64/895762164.db2.gz LYVQYVHXTWFUAC-UHFFFAOYSA-N 2 2 376.504 3.573 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(C)c1 ZINC000565734422 895839094 /nfs/dbraw/zinc/83/90/94/895839094.db2.gz AESJYZOSYBIICX-BAGYTPMASA-N 2 2 395.551 3.509 20 0 GHADLP C[C@H](OC[C@H](O)C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000566116449 896119934 /nfs/dbraw/zinc/11/99/34/896119934.db2.gz IZYSCMADMPWKIB-HRAATJIYSA-N 2 2 385.895 3.754 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819182633 896452588 /nfs/dbraw/zinc/45/25/88/896452588.db2.gz GDPNHTMLWLUKQC-JLTOFOAXSA-N 2 2 377.891 3.723 20 0 GHADLP Cc1cccn2cc(CC(=O)NC[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000566712149 896513560 /nfs/dbraw/zinc/51/35/60/896513560.db2.gz VSGZCYAJVZMDMB-NRFANRHFSA-N 2 2 390.531 3.604 20 0 GHADLP Cc1cccn2cc(CC(=O)NC[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000566712149 896513565 /nfs/dbraw/zinc/51/35/65/896513565.db2.gz VSGZCYAJVZMDMB-NRFANRHFSA-N 2 2 390.531 3.604 20 0 GHADLP O[C@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(Cl)c(F)c1 ZINC000819276019 896561314 /nfs/dbraw/zinc/56/13/14/896561314.db2.gz ZCKOIDZWLDOGOH-MQBCKMQZSA-N 2 2 394.840 3.907 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c(C)c1 ZINC000826284343 896919189 /nfs/dbraw/zinc/91/91/89/896919189.db2.gz QRTRGSWBUVZRCM-UTKZUKDTSA-N 2 2 387.491 3.772 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)n2)C1 ZINC001136351120 897391723 /nfs/dbraw/zinc/39/17/23/897391723.db2.gz GGEZATPWVQWOEI-IAGOWNOFSA-N 2 2 390.597 3.968 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)n2)C1 ZINC001136351120 897391736 /nfs/dbraw/zinc/39/17/36/897391736.db2.gz GGEZATPWVQWOEI-IAGOWNOFSA-N 2 2 390.597 3.968 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)n2)C1 ZINC001136351120 897391757 /nfs/dbraw/zinc/39/17/57/897391757.db2.gz GGEZATPWVQWOEI-IAGOWNOFSA-N 2 2 390.597 3.968 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)n2)C1 ZINC001136351120 897391773 /nfs/dbraw/zinc/39/17/73/897391773.db2.gz GGEZATPWVQWOEI-IAGOWNOFSA-N 2 2 390.597 3.968 20 0 GHADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000567972705 897515684 /nfs/dbraw/zinc/51/56/84/897515684.db2.gz IFBLBTKXLISYKT-XMMPIXPASA-N 2 2 386.499 3.756 20 0 GHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000883386392 897548476 /nfs/dbraw/zinc/54/84/76/897548476.db2.gz FLQJLGKLBPLXDF-AUSIDOKSSA-N 3 2 378.520 3.916 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1NC(C)=O ZINC000883387023 897550695 /nfs/dbraw/zinc/55/06/95/897550695.db2.gz QOWKPVRWIFIZEU-HRAATJIYSA-N 2 2 378.476 3.942 20 0 GHADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000883387312 897550751 /nfs/dbraw/zinc/55/07/51/897550751.db2.gz VOFVTRWQIPDLSI-UTKZUKDTSA-N 2 2 378.476 3.640 20 0 GHADLP CC1(C)[C@H]([NH2+]CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)C[C@@H]1[NH3+] ZINC000883442888 897586869 /nfs/dbraw/zinc/58/68/69/897586869.db2.gz VEZFKEZSCNCYSW-DTWKUNHWSA-N 2 2 385.122 3.954 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000568125561 897615574 /nfs/dbraw/zinc/61/55/74/897615574.db2.gz MVKCQFYHCULBGP-HSZRJFAPSA-N 2 2 378.564 3.894 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000568125561 897615579 /nfs/dbraw/zinc/61/55/79/897615579.db2.gz MVKCQFYHCULBGP-HSZRJFAPSA-N 2 2 378.564 3.894 20 0 GHADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001136393889 897617865 /nfs/dbraw/zinc/61/78/65/897617865.db2.gz BCAZHADPSRQJRR-HLIPFELVSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001136393889 897617874 /nfs/dbraw/zinc/61/78/74/897617874.db2.gz BCAZHADPSRQJRR-HLIPFELVSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001136393889 897617883 /nfs/dbraw/zinc/61/78/83/897617883.db2.gz BCAZHADPSRQJRR-HLIPFELVSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001136393889 897617893 /nfs/dbraw/zinc/61/78/93/897617893.db2.gz BCAZHADPSRQJRR-HLIPFELVSA-N 2 2 377.960 3.541 20 0 GHADLP COc1ccc([C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)[NH+]2CCCCC2)cc1 ZINC000568185011 897660051 /nfs/dbraw/zinc/66/00/51/897660051.db2.gz PYUJZCKXYWXTHJ-NRFANRHFSA-N 2 2 392.503 3.608 20 0 GHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000569630278 898836692 /nfs/dbraw/zinc/83/66/92/898836692.db2.gz XLGQFJRORVJWTO-WMZOPIPTSA-N 2 2 387.487 3.845 20 0 GHADLP COCCOCc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000289679756 914293684 /nfs/dbraw/zinc/29/36/84/914293684.db2.gz JKOFERQWFUKHCL-IBGZPJMESA-N 2 2 383.536 3.560 20 0 GHADLP COc1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(C)c1OC ZINC000569994942 899061138 /nfs/dbraw/zinc/06/11/38/899061138.db2.gz YNFGKSWGJOEACR-FUHWJXTLSA-N 2 2 384.524 3.721 20 0 GHADLP CC[C@@H](C)N(Cc1ccccc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000117041347 899346702 /nfs/dbraw/zinc/34/67/02/899346702.db2.gz OJRLHTAVGKPHER-LJQANCHMSA-N 2 2 386.584 3.555 20 0 GHADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCCc1ccccc1 ZINC000570569520 899397697 /nfs/dbraw/zinc/39/76/97/899397697.db2.gz YDCCGPXNTRKZLF-OFNKIYASSA-N 2 2 391.559 3.521 20 0 GHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCCc1ccccc1 ZINC000570569520 899397706 /nfs/dbraw/zinc/39/77/06/899397706.db2.gz YDCCGPXNTRKZLF-OFNKIYASSA-N 2 2 391.559 3.521 20 0 GHADLP CC[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)NC(=O)OC(C)(C)C ZINC000824666678 899752626 /nfs/dbraw/zinc/75/26/26/899752626.db2.gz OAABVVALANFXMQ-QGZVFWFLSA-N 2 2 390.572 3.614 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)Cc3cccc(F)c3)CC2)cc1 ZINC000824903189 899870420 /nfs/dbraw/zinc/87/04/20/899870420.db2.gz ALNUNGUZWQDISL-QGZVFWFLSA-N 2 2 383.511 3.969 20 0 GHADLP Clc1ccc(-n2cc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)nn2)cc1 ZINC000333082274 899946158 /nfs/dbraw/zinc/94/61/58/899946158.db2.gz XIHBSAHEXFGNRH-UHFFFAOYSA-N 2 2 396.926 3.833 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1F ZINC000333125860 899982506 /nfs/dbraw/zinc/98/25/06/899982506.db2.gz HXEDVGQJCVCPBM-INIZCTEOSA-N 2 2 384.499 3.874 20 0 GHADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000573220116 900417876 /nfs/dbraw/zinc/41/78/76/900417876.db2.gz YLWQYAISDRSWHF-UHFFFAOYSA-N 2 2 382.426 3.902 20 0 GHADLP FC(F)(F)c1nn(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c2cc[nH+]cc21 ZINC000573766416 900624407 /nfs/dbraw/zinc/62/44/07/900624407.db2.gz XONUYAANUWDJTH-INIZCTEOSA-N 2 2 390.409 3.741 20 0 GHADLP FC(F)(F)c1nn(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2cc[nH+]cc21 ZINC000573766416 900624416 /nfs/dbraw/zinc/62/44/16/900624416.db2.gz XONUYAANUWDJTH-INIZCTEOSA-N 2 2 390.409 3.741 20 0 GHADLP C[NH+](C)CCOc1cccc(Nc2cc(Br)c3[nH+]ccn3c2)c1 ZINC001212804696 900746866 /nfs/dbraw/zinc/74/68/66/900746866.db2.gz AVFWNYQBGZVWNU-UHFFFAOYSA-N 2 2 375.270 3.781 20 0 GHADLP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001144008516 900881920 /nfs/dbraw/zinc/88/19/20/900881920.db2.gz GOOGUFQGIMPLNI-INIZCTEOSA-N 2 2 382.382 3.951 20 0 GHADLP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001144008516 900881927 /nfs/dbraw/zinc/88/19/27/900881927.db2.gz GOOGUFQGIMPLNI-INIZCTEOSA-N 2 2 382.382 3.951 20 0 GHADLP COC[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(Cl)c1F ZINC000575459963 901237333 /nfs/dbraw/zinc/23/73/33/901237333.db2.gz IEJYJEAZLZPDDZ-SFHVURJKSA-N 2 2 380.891 3.897 20 0 GHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000093742341 901561360 /nfs/dbraw/zinc/56/13/60/901561360.db2.gz PHGCQFSUONDBSN-NRFANRHFSA-N 2 2 383.536 3.833 20 0 GHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000093742341 901561388 /nfs/dbraw/zinc/56/13/88/901561388.db2.gz PHGCQFSUONDBSN-NRFANRHFSA-N 2 2 383.536 3.833 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000093742341 901561404 /nfs/dbraw/zinc/56/14/04/901561404.db2.gz PHGCQFSUONDBSN-NRFANRHFSA-N 2 2 383.536 3.833 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000093742341 901561421 /nfs/dbraw/zinc/56/14/21/901561421.db2.gz PHGCQFSUONDBSN-NRFANRHFSA-N 2 2 383.536 3.833 20 0 GHADLP CN(c1ccccc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CC[NH+](C)CC1 ZINC000123121952 901901398 /nfs/dbraw/zinc/90/13/98/901901398.db2.gz YDQLUQKJMIIQDQ-UHFFFAOYSA-N 3 2 389.547 3.693 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000333446790 902097312 /nfs/dbraw/zinc/09/73/12/902097312.db2.gz XPXBCOMIYCFMON-HKUYNNGSSA-N 2 2 393.535 3.977 20 0 GHADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000576865041 902313484 /nfs/dbraw/zinc/31/34/84/902313484.db2.gz GHPZTDLKTVCHBD-QYZOEREBSA-N 2 2 390.572 3.538 20 0 GHADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000576865041 902313495 /nfs/dbraw/zinc/31/34/95/902313495.db2.gz GHPZTDLKTVCHBD-QYZOEREBSA-N 2 2 390.572 3.538 20 0 GHADLP C[C@@H](CC(=O)Oc1cccc(C[N@@H+]2CCc3ccccc3C2)c1)n1cc[nH+]c1 ZINC000845719791 902345843 /nfs/dbraw/zinc/34/58/43/902345843.db2.gz DWEHOZIVIWVZEM-SFHVURJKSA-N 2 2 375.472 3.998 20 0 GHADLP C[C@@H](CC(=O)Oc1cccc(C[N@H+]2CCc3ccccc3C2)c1)n1cc[nH+]c1 ZINC000845719791 902345854 /nfs/dbraw/zinc/34/58/54/902345854.db2.gz DWEHOZIVIWVZEM-SFHVURJKSA-N 2 2 375.472 3.998 20 0 GHADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000576914164 902354092 /nfs/dbraw/zinc/35/40/92/902354092.db2.gz PQITWCMPYDZGDX-FQEVSTJZSA-N 2 2 394.523 3.525 20 0 GHADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000576914164 902354102 /nfs/dbraw/zinc/35/41/02/902354102.db2.gz PQITWCMPYDZGDX-FQEVSTJZSA-N 2 2 394.523 3.525 20 0 GHADLP Clc1ccc2c(c1)[nH+]ccc2N1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144622820 902520846 /nfs/dbraw/zinc/52/08/46/902520846.db2.gz MNTVHIGGKQSMGO-UHFFFAOYSA-N 2 2 377.879 3.858 20 0 GHADLP C[N@H+](CC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)C1CCC1 ZINC001144711065 902682719 /nfs/dbraw/zinc/68/27/19/902682719.db2.gz FRHVSPGGSTVQMX-UHFFFAOYSA-N 2 2 392.906 3.579 20 0 GHADLP C[N@@H+](CC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)C1CCC1 ZINC001144711065 902682725 /nfs/dbraw/zinc/68/27/25/902682725.db2.gz FRHVSPGGSTVQMX-UHFFFAOYSA-N 2 2 392.906 3.579 20 0 GHADLP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129483239 902814831 /nfs/dbraw/zinc/81/48/31/902814831.db2.gz QBGLRRYFIRORJK-FUHWJXTLSA-N 2 2 394.475 3.798 20 0 GHADLP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129483239 902814848 /nfs/dbraw/zinc/81/48/48/902814848.db2.gz QBGLRRYFIRORJK-FUHWJXTLSA-N 2 2 394.475 3.798 20 0 GHADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccncc2OCCC[NH+](C)C)CC1 ZINC000577676389 903035925 /nfs/dbraw/zinc/03/59/25/903035925.db2.gz BYTORNPSPYPGDB-SIKLNZKXSA-N 3 2 388.600 3.545 20 0 GHADLP CC[N@H+](Cc1ccc2nonc2c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000846825716 903217530 /nfs/dbraw/zinc/21/75/30/903217530.db2.gz LWAOZTHKQNNIQS-UHFFFAOYSA-N 2 2 394.523 3.936 20 0 GHADLP CC[N@@H+](Cc1ccc2nonc2c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000846825716 903217540 /nfs/dbraw/zinc/21/75/40/903217540.db2.gz LWAOZTHKQNNIQS-UHFFFAOYSA-N 2 2 394.523 3.936 20 0 GHADLP C[N@H+](CC1(Br)CC1)[C@@H]1CCC[NH+](CC2(Br)CC2)CC1 ZINC000846833656 903223821 /nfs/dbraw/zinc/22/38/21/903223821.db2.gz DIXNVBODCNLFMV-CYBMUJFWSA-N 2 2 394.195 3.628 20 0 GHADLP C[N@@H+](CC1(Br)CC1)[C@@H]1CCC[NH+](CC2(Br)CC2)CC1 ZINC000846833656 903223836 /nfs/dbraw/zinc/22/38/36/903223836.db2.gz DIXNVBODCNLFMV-CYBMUJFWSA-N 2 2 394.195 3.628 20 0 GHADLP C[NH+](CC1(Br)CC1)[C@@H]1CCC[N@H+](CC2(Br)CC2)CC1 ZINC000846833656 903223850 /nfs/dbraw/zinc/22/38/50/903223850.db2.gz DIXNVBODCNLFMV-CYBMUJFWSA-N 2 2 394.195 3.628 20 0 GHADLP C[NH+](CC1(Br)CC1)[C@@H]1CCC[N@@H+](CC2(Br)CC2)CC1 ZINC000846833656 903223856 /nfs/dbraw/zinc/22/38/56/903223856.db2.gz DIXNVBODCNLFMV-CYBMUJFWSA-N 2 2 394.195 3.628 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(F)c(Cl)c1 ZINC000264855099 903427578 /nfs/dbraw/zinc/42/75/78/903427578.db2.gz KHIFFFPGONQDQX-OAHLLOKOSA-N 2 2 389.902 3.718 20 0 GHADLP Cc1ccc(C)c([C@H]2CCCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000134732529 903563077 /nfs/dbraw/zinc/56/30/77/903563077.db2.gz WNWNLVHECPXYMO-HSZRJFAPSA-N 2 2 398.595 3.709 20 0 GHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000265024962 903567182 /nfs/dbraw/zinc/56/71/82/903567182.db2.gz JOBCNQKZARVYCF-FPOVZHCZSA-N 2 2 380.536 3.658 20 0 GHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000265024962 903567195 /nfs/dbraw/zinc/56/71/95/903567195.db2.gz JOBCNQKZARVYCF-FPOVZHCZSA-N 2 2 380.536 3.658 20 0 GHADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(COc4ccc(Cl)cc4)n3)C[C@@H]21 ZINC000578193107 903603857 /nfs/dbraw/zinc/60/38/57/903603857.db2.gz NRSFGHZNDGZARU-JEBQAFNWSA-N 2 2 377.941 3.935 20 0 GHADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(COc4ccc(Cl)cc4)n3)C[C@@H]21 ZINC000578193107 903603864 /nfs/dbraw/zinc/60/38/64/903603864.db2.gz NRSFGHZNDGZARU-JEBQAFNWSA-N 2 2 377.941 3.935 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](Cc1cccnc1)C1CCCC1 ZINC001146986789 903654162 /nfs/dbraw/zinc/65/41/62/903654162.db2.gz IILZCKPKWCQOTR-LJQANCHMSA-N 2 2 375.476 3.958 20 0 GHADLP C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000779067326 903777980 /nfs/dbraw/zinc/77/79/80/903777980.db2.gz VARPPPPXWLCYNP-KZNAEPCWSA-N 2 2 376.545 3.746 20 0 GHADLP COc1ccc(Cl)c2c1C[C@H]([NH+]1C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C1)CC2 ZINC001171310893 903824480 /nfs/dbraw/zinc/82/44/80/903824480.db2.gz LGAFQJCSBBAKCA-ZHALLVOQSA-N 2 2 397.950 3.665 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000151689494 904178912 /nfs/dbraw/zinc/17/89/12/904178912.db2.gz KRRQZJYSXGZYGK-HOTGVXAUSA-N 2 2 384.505 3.656 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000579488934 904647058 /nfs/dbraw/zinc/64/70/58/904647058.db2.gz BSQJYOKJTQCGGT-AWEZNQCLSA-N 2 2 387.281 3.827 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000579488934 904647063 /nfs/dbraw/zinc/64/70/63/904647063.db2.gz BSQJYOKJTQCGGT-AWEZNQCLSA-N 2 2 387.281 3.827 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4c(C)cccc4C3)CC2)cc1 ZINC001171560613 904830122 /nfs/dbraw/zinc/83/01/22/904830122.db2.gz UKTXWACVRGBBPN-HSZRJFAPSA-N 2 2 392.543 3.893 20 0 GHADLP Cc1ccnc(N2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)c1 ZINC001171987868 905250909 /nfs/dbraw/zinc/25/09/09/905250909.db2.gz KZXTVGXDANVPFV-QFIPXVFZSA-N 2 2 378.564 3.955 20 0 GHADLP Cc1ccnc(N2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)c1 ZINC001171987868 905250929 /nfs/dbraw/zinc/25/09/29/905250929.db2.gz KZXTVGXDANVPFV-QFIPXVFZSA-N 2 2 378.564 3.955 20 0 GHADLP [NH3+][C@H]1CC[C@H]([N@H+](C2COC2)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172065203 905329499 /nfs/dbraw/zinc/32/94/99/905329499.db2.gz IVWLWACSOQFMCM-VDHDWPQNSA-N 3 2 383.580 3.543 20 0 GHADLP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172065203 905329519 /nfs/dbraw/zinc/32/95/19/905329519.db2.gz IVWLWACSOQFMCM-VDHDWPQNSA-N 3 2 383.580 3.543 20 0 GHADLP [NH3+][C@H]1CC[C@H]([NH+](C2COC2)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172065203 905329537 /nfs/dbraw/zinc/32/95/37/905329537.db2.gz IVWLWACSOQFMCM-VDHDWPQNSA-N 3 2 383.580 3.543 20 0 GHADLP [NH3+][C@H]1CC[C@H]([NH+](C2COC2)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172065203 905329554 /nfs/dbraw/zinc/32/95/54/905329554.db2.gz IVWLWACSOQFMCM-VDHDWPQNSA-N 3 2 383.580 3.543 20 0 GHADLP O=C(C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1ccc(F)cc1 ZINC001172068161 905333343 /nfs/dbraw/zinc/33/33/43/905333343.db2.gz TYPPIRLSPKQIEG-KOUNCHBCSA-N 2 2 381.495 3.940 20 0 GHADLP O=C(C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccc(F)cc1 ZINC001172068161 905333346 /nfs/dbraw/zinc/33/33/46/905333346.db2.gz TYPPIRLSPKQIEG-KOUNCHBCSA-N 2 2 381.495 3.940 20 0 GHADLP COCCC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC001172250397 905448892 /nfs/dbraw/zinc/44/88/92/905448892.db2.gz XPGIZZXRUVZTJN-UHFFFAOYSA-N 2 2 375.738 3.693 20 0 GHADLP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3cc(C)ccc3Cl)C2)CC1 ZINC001172255476 905451310 /nfs/dbraw/zinc/45/13/10/905451310.db2.gz SINISHGZSGOHNT-LJQANCHMSA-N 2 2 380.960 3.993 20 0 GHADLP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](Oc3cc(C)ccc3Cl)C2)CC1 ZINC001172255476 905451319 /nfs/dbraw/zinc/45/13/19/905451319.db2.gz SINISHGZSGOHNT-LJQANCHMSA-N 2 2 380.960 3.993 20 0 GHADLP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001172362184 905530565 /nfs/dbraw/zinc/53/05/65/905530565.db2.gz QTJVGOLECVOWAC-CEXWTWQISA-N 2 2 397.604 3.644 20 0 GHADLP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001172362184 905530571 /nfs/dbraw/zinc/53/05/71/905530571.db2.gz QTJVGOLECVOWAC-CEXWTWQISA-N 2 2 397.604 3.644 20 0 GHADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001172575483 905636000 /nfs/dbraw/zinc/63/60/00/905636000.db2.gz IIHSCBBYIIOZRW-OREJSRFESA-N 2 2 393.909 3.741 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+]([C@@H]4CCC[C@@H](c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001172539965 905643766 /nfs/dbraw/zinc/64/37/66/905643766.db2.gz FMOHAHXCUNGKHE-JLLPCOHGSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4CCC[C@@H](c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001172539965 905643774 /nfs/dbraw/zinc/64/37/74/905643774.db2.gz FMOHAHXCUNGKHE-JLLPCOHGSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4CCC[C@@H](c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001172539965 905643784 /nfs/dbraw/zinc/64/37/84/905643784.db2.gz FMOHAHXCUNGKHE-JLLPCOHGSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4CCC[C@@H](c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001172539965 905643791 /nfs/dbraw/zinc/64/37/91/905643791.db2.gz FMOHAHXCUNGKHE-JLLPCOHGSA-N 2 2 378.564 3.900 20 0 GHADLP Clc1ccc2c(c1)C[C@@H](N(c1cccc[nH+]1)[C@H]1COC3(C1)CC[NH2+]CC3)C2 ZINC001172718539 905768694 /nfs/dbraw/zinc/76/86/94/905768694.db2.gz RIZDYXANRZQUPL-VQTJNVASSA-N 2 2 383.923 3.620 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)[nH+]c1 ZINC001172815596 905847059 /nfs/dbraw/zinc/84/70/59/905847059.db2.gz NBNJRQALLSRQHL-YOFSQIOKSA-N 2 2 398.551 3.655 20 0 GHADLP c1ccc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C2CCC3(CCOCC3)CC2)[nH+]c1 ZINC001173048157 906120242 /nfs/dbraw/zinc/12/02/42/906120242.db2.gz PCQJONMCFPKDSB-FQEVSTJZSA-N 2 2 385.552 3.539 20 0 GHADLP C[C@@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001173057923 906132009 /nfs/dbraw/zinc/13/20/09/906132009.db2.gz GGBBLANKCCZHGL-MKXGPGLRSA-N 2 2 388.556 3.946 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)[nH+]c1 ZINC001173072002 906163979 /nfs/dbraw/zinc/16/39/79/906163979.db2.gz ITTRPPVDYNDQBH-PKOBYXMFSA-N 2 2 388.556 3.736 20 0 GHADLP CCSC[C@H](C)[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001173307201 906362738 /nfs/dbraw/zinc/36/27/38/906362738.db2.gz DDKXATSXANBWCR-KRWDZBQOSA-N 2 2 399.645 3.924 20 0 GHADLP CCSC[C@H](C)[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001173307201 906362750 /nfs/dbraw/zinc/36/27/50/906362750.db2.gz DDKXATSXANBWCR-KRWDZBQOSA-N 2 2 399.645 3.924 20 0 GHADLP CCOC(=O)[C@H]1CC12CCC([NH2+][C@H](C[NH3+])c1ccc(Br)cc1)CC2 ZINC001173618600 906566232 /nfs/dbraw/zinc/56/62/32/906566232.db2.gz RHAIVJQZEUZDAP-VZDIDWBNSA-N 2 2 395.341 3.551 20 0 GHADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Br)c(F)c2F)C1 ZINC000629547427 906862358 /nfs/dbraw/zinc/86/23/58/906862358.db2.gz JRMOUGBOHHZXGI-VHDGCEQUSA-N 2 2 389.284 3.588 20 0 GHADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)c(F)c2F)C1 ZINC000629547427 906862370 /nfs/dbraw/zinc/86/23/70/906862370.db2.gz JRMOUGBOHHZXGI-VHDGCEQUSA-N 2 2 389.284 3.588 20 0 GHADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cn1 ZINC000629657494 906933128 /nfs/dbraw/zinc/93/31/28/906933128.db2.gz YPVVBMRPPWEGKW-WMZOPIPTSA-N 2 2 378.442 3.809 20 0 GHADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cn1 ZINC000629657494 906933137 /nfs/dbraw/zinc/93/31/37/906933137.db2.gz YPVVBMRPPWEGKW-WMZOPIPTSA-N 2 2 378.442 3.809 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000366069848 921300959 /nfs/dbraw/zinc/30/09/59/921300959.db2.gz VZMFOPGMJUMMDV-MJGOQNOKSA-N 2 2 388.556 3.676 20 0 GHADLP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000184074663 907510147 /nfs/dbraw/zinc/51/01/47/907510147.db2.gz YBURCXANBYXPLX-LADGPHEKSA-N 2 2 391.490 3.667 20 0 GHADLP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000184074663 907510157 /nfs/dbraw/zinc/51/01/57/907510157.db2.gz YBURCXANBYXPLX-LADGPHEKSA-N 2 2 391.490 3.667 20 0 GHADLP C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1cccs1 ZINC000631475235 907725150 /nfs/dbraw/zinc/72/51/50/907725150.db2.gz JHTGYDFYVALRFT-XMSQKQJNSA-N 2 2 394.544 3.676 20 0 GHADLP C[N@H+]1CCC[C@H](CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1cccs1 ZINC000631475235 907725160 /nfs/dbraw/zinc/72/51/60/907725160.db2.gz JHTGYDFYVALRFT-XMSQKQJNSA-N 2 2 394.544 3.676 20 0 GHADLP Cc1[nH]c(C2CC[NH+]([C@H]3CCN(c4ccc(Cl)cc4F)C3=O)CC2)[nH+]c1C ZINC001176201254 907980589 /nfs/dbraw/zinc/98/05/89/907980589.db2.gz FXHXZWUPCFOTAQ-SFHVURJKSA-N 2 2 390.890 3.804 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000187948237 908158399 /nfs/dbraw/zinc/15/83/99/908158399.db2.gz MNWRYHYDABQCJU-NRFANRHFSA-N 2 2 382.483 3.759 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC001176983754 908346541 /nfs/dbraw/zinc/34/65/41/908346541.db2.gz ADLDPNZWGGGMKB-QFBILLFUSA-N 2 2 384.499 3.762 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC001176983754 908346555 /nfs/dbraw/zinc/34/65/55/908346555.db2.gz ADLDPNZWGGGMKB-QFBILLFUSA-N 2 2 384.499 3.762 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC001177295038 908499230 /nfs/dbraw/zinc/49/92/30/908499230.db2.gz XDCNFLIEQBCZQN-HDICACEKSA-N 2 2 379.976 3.634 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC001177295038 908499235 /nfs/dbraw/zinc/49/92/35/908499235.db2.gz XDCNFLIEQBCZQN-HDICACEKSA-N 2 2 379.976 3.634 20 0 GHADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000191837673 908683199 /nfs/dbraw/zinc/68/31/99/908683199.db2.gz NJPDPNKQJOQMEP-JPYJTQIMSA-N 2 2 381.520 3.587 20 0 GHADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000191837673 908683202 /nfs/dbraw/zinc/68/32/02/908683202.db2.gz NJPDPNKQJOQMEP-JPYJTQIMSA-N 2 2 381.520 3.587 20 0 GHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC001177911853 908798187 /nfs/dbraw/zinc/79/81/87/908798187.db2.gz LJKOFCQAFJTXAH-KNQAVFIVSA-N 2 2 395.934 3.861 20 0 GHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC001177911853 908798194 /nfs/dbraw/zinc/79/81/94/908798194.db2.gz LJKOFCQAFJTXAH-KNQAVFIVSA-N 2 2 395.934 3.861 20 0 GHADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000635140779 909155282 /nfs/dbraw/zinc/15/52/82/909155282.db2.gz BTIICDCABMXIRW-SFHVURJKSA-N 2 2 394.441 3.679 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635338223 909216085 /nfs/dbraw/zinc/21/60/85/909216085.db2.gz QCPASXUSNBQEIN-QGZVFWFLSA-N 2 2 382.430 3.533 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635338223 909216090 /nfs/dbraw/zinc/21/60/90/909216090.db2.gz QCPASXUSNBQEIN-QGZVFWFLSA-N 2 2 382.430 3.533 20 0 GHADLP O[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1Br ZINC001178944837 909327905 /nfs/dbraw/zinc/32/79/05/909327905.db2.gz JUWIYGCQSXGELP-INIZCTEOSA-N 2 2 378.295 3.520 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1)C[C@H]1CCCCO1 ZINC000635765095 909343275 /nfs/dbraw/zinc/34/32/75/909343275.db2.gz BKZJCSNAHGJWQZ-NJDAHSKKSA-N 2 2 396.535 3.931 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1)C[C@H]1CCCCO1 ZINC000635765095 909343294 /nfs/dbraw/zinc/34/32/94/909343294.db2.gz BKZJCSNAHGJWQZ-NJDAHSKKSA-N 2 2 396.535 3.931 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1)C[C@H]1CCCCO1 ZINC000635765095 909343310 /nfs/dbraw/zinc/34/33/10/909343310.db2.gz BKZJCSNAHGJWQZ-NJDAHSKKSA-N 2 2 396.535 3.931 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1)C[C@H]1CCCCO1 ZINC000635765095 909343328 /nfs/dbraw/zinc/34/33/28/909343328.db2.gz BKZJCSNAHGJWQZ-NJDAHSKKSA-N 2 2 396.535 3.931 20 0 GHADLP CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001180262351 910052841 /nfs/dbraw/zinc/05/28/41/910052841.db2.gz RPWYRDRHXVXVSB-OAQYLSRUSA-N 2 2 386.561 3.969 20 0 GHADLP CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001180262351 910052862 /nfs/dbraw/zinc/05/28/62/910052862.db2.gz RPWYRDRHXVXVSB-OAQYLSRUSA-N 2 2 386.561 3.969 20 0 GHADLP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000269098668 910139158 /nfs/dbraw/zinc/13/91/58/910139158.db2.gz SMZRLAIYTJXZGO-WMZHIEFXSA-N 3 2 393.579 3.705 20 0 GHADLP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000269098668 910139169 /nfs/dbraw/zinc/13/91/69/910139169.db2.gz SMZRLAIYTJXZGO-WMZHIEFXSA-N 3 2 393.579 3.705 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCCN1c1cccnc1 ZINC000639038590 910294641 /nfs/dbraw/zinc/29/46/41/910294641.db2.gz LQDLXZKRQPOTDE-UEVCKROQSA-N 2 2 390.531 3.535 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCCN1c1cccnc1 ZINC000639038590 910294655 /nfs/dbraw/zinc/29/46/55/910294655.db2.gz LQDLXZKRQPOTDE-UEVCKROQSA-N 2 2 390.531 3.535 20 0 GHADLP CC(C)CC[NH+]1CCC(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC001180848767 910394986 /nfs/dbraw/zinc/39/49/86/910394986.db2.gz PJTSCETXRXEDFK-JOCHJYFZSA-N 2 2 375.626 3.704 20 0 GHADLP CC(C)CC[NH+]1CCC(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC001180848767 910394999 /nfs/dbraw/zinc/39/49/99/910394999.db2.gz PJTSCETXRXEDFK-JOCHJYFZSA-N 2 2 375.626 3.704 20 0 GHADLP Cc1sc2[nH]c([C@H](C)[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)nc(=O)c2c1C ZINC000639681940 910612026 /nfs/dbraw/zinc/61/20/26/910612026.db2.gz AOENTVMJHYNMOT-AWEZNQCLSA-N 2 2 383.521 3.682 20 0 GHADLP Cc1sc2[nH]c([C@H](C)[N@H+]3CCCN(c4cc[nH+]cc4)CC3)nc(=O)c2c1C ZINC000639681940 910612031 /nfs/dbraw/zinc/61/20/31/910612031.db2.gz AOENTVMJHYNMOT-AWEZNQCLSA-N 2 2 383.521 3.682 20 0 GHADLP Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000270856077 910719381 /nfs/dbraw/zinc/71/93/81/910719381.db2.gz HMCRYUQZZYEQCT-LJQANCHMSA-N 2 2 397.567 3.596 20 0 GHADLP O=C(NC1CC[NH+](CCF)CC1)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182245445 911329520 /nfs/dbraw/zinc/32/95/20/911329520.db2.gz SSPASJUSIJUUBF-HXUWFJFHSA-N 2 2 395.950 3.807 20 0 GHADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@@H](O)c1ccccc1Cl)CC2 ZINC000283174324 911397775 /nfs/dbraw/zinc/39/77/75/911397775.db2.gz POJWCOMABYNGKX-QZTJIDSGSA-N 2 2 391.968 3.816 20 0 GHADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@@H](O)c1ccccc1Cl)CC2 ZINC000283174324 911397809 /nfs/dbraw/zinc/39/78/09/911397809.db2.gz POJWCOMABYNGKX-QZTJIDSGSA-N 2 2 391.968 3.816 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000796338216 914889569 /nfs/dbraw/zinc/88/95/69/914889569.db2.gz JDICDHDZAVGREQ-QGZVFWFLSA-N 2 2 375.948 3.687 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000796338216 914889587 /nfs/dbraw/zinc/88/95/87/914889587.db2.gz JDICDHDZAVGREQ-QGZVFWFLSA-N 2 2 375.948 3.687 20 0 GHADLP Cc1c([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nnn1-c1ccc(C)cc1 ZINC000647344543 915164417 /nfs/dbraw/zinc/16/44/17/915164417.db2.gz TYYBQXOKRYIVBE-ZEYPLWLESA-N 2 2 389.547 3.880 20 0 GHADLP Cc1c([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)nnn1-c1ccc(C)cc1 ZINC000647344543 915164427 /nfs/dbraw/zinc/16/44/27/915164427.db2.gz TYYBQXOKRYIVBE-ZEYPLWLESA-N 2 2 389.547 3.880 20 0 GHADLP Clc1ccc(OC[C@@H]2CCCO2)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647479800 915291146 /nfs/dbraw/zinc/29/11/46/915291146.db2.gz UYTAGNVHGXZIOC-FFZOFVMBSA-N 2 2 378.944 3.862 20 0 GHADLP Clc1ccc(OC[C@@H]2CCCO2)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647479800 915291159 /nfs/dbraw/zinc/29/11/59/915291159.db2.gz UYTAGNVHGXZIOC-FFZOFVMBSA-N 2 2 378.944 3.862 20 0 GHADLP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1Br ZINC000647553676 915321888 /nfs/dbraw/zinc/32/18/88/915321888.db2.gz GZWOZWXWSUTSOU-CQSZACIVSA-N 2 2 375.257 3.815 20 0 GHADLP CC[C@@H]1C[N@H+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000647940230 915444441 /nfs/dbraw/zinc/44/44/41/915444441.db2.gz PYTNTRMUHAIZBY-CNDZOEFASA-N 2 2 385.939 3.605 20 0 GHADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000647940230 915444448 /nfs/dbraw/zinc/44/44/48/915444448.db2.gz PYTNTRMUHAIZBY-CNDZOEFASA-N 2 2 385.939 3.605 20 0 GHADLP CC[C@@H]1C[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000647936751 915444564 /nfs/dbraw/zinc/44/45/64/915444564.db2.gz KOBZQFQOYIDTEG-XWIAVFTESA-N 2 2 384.351 3.716 20 0 GHADLP CC[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000647936751 915444575 /nfs/dbraw/zinc/44/45/75/915444575.db2.gz KOBZQFQOYIDTEG-XWIAVFTESA-N 2 2 384.351 3.716 20 0 GHADLP CN(C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648310911 915610720 /nfs/dbraw/zinc/61/07/20/915610720.db2.gz ZPDANFYCRWVSTC-YTFSRNRJSA-N 2 2 383.580 3.587 20 0 GHADLP CN(C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648310911 915610727 /nfs/dbraw/zinc/61/07/27/915610727.db2.gz ZPDANFYCRWVSTC-YTFSRNRJSA-N 2 2 383.580 3.587 20 0 GHADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000649393413 916138756 /nfs/dbraw/zinc/13/87/56/916138756.db2.gz JBVBFFBBTWPPFT-LJQANCHMSA-N 2 2 398.378 3.730 20 0 GHADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000649393413 916138766 /nfs/dbraw/zinc/13/87/66/916138766.db2.gz JBVBFFBBTWPPFT-LJQANCHMSA-N 2 2 398.378 3.730 20 0 GHADLP CSCc1cnc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000293539404 916254095 /nfs/dbraw/zinc/25/40/95/916254095.db2.gz KBZHBTIBYCHLPO-AWEZNQCLSA-N 2 2 394.585 3.748 20 0 GHADLP [NH3+]C1(Cc2cccc(Cl)c2)CCN(C(=O)c2ccccc2-n2cc[nH+]c2)CC1 ZINC001190113030 917134614 /nfs/dbraw/zinc/13/46/14/917134614.db2.gz GXURKDQUXSMYFA-UHFFFAOYSA-N 2 2 394.906 3.702 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CCOCC1)c1ccccc1 ZINC000775396981 917394562 /nfs/dbraw/zinc/39/45/62/917394562.db2.gz ZMPJKRCXVQVWFG-NBYUQASBSA-N 2 2 392.634 3.856 20 0 GHADLP C[N@H+](Cc1ccccc1CNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000651165366 917480550 /nfs/dbraw/zinc/48/05/50/917480550.db2.gz BPRAYGTUZPGAFW-UHFFFAOYSA-N 2 2 394.563 3.843 20 0 GHADLP C[N@@H+](Cc1ccccc1CNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000651165366 917480559 /nfs/dbraw/zinc/48/05/59/917480559.db2.gz BPRAYGTUZPGAFW-UHFFFAOYSA-N 2 2 394.563 3.843 20 0 GHADLP CC1CC[NH+](CCc2cccc(NC(=O)Cc3cn4c([nH+]3)CCCC4)c2)CC1 ZINC000651637308 917683366 /nfs/dbraw/zinc/68/33/66/917683366.db2.gz KGKANQSGLRGHCG-UHFFFAOYSA-N 2 2 380.536 3.675 20 0 GHADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2c(F)ccc(Br)c2F)C1 ZINC000652363459 917884402 /nfs/dbraw/zinc/88/44/02/917884402.db2.gz FHWGNJOCINOJIG-LYRGGWFBSA-N 2 2 389.284 3.588 20 0 GHADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2c(F)ccc(Br)c2F)C1 ZINC000652363459 917884405 /nfs/dbraw/zinc/88/44/05/917884405.db2.gz FHWGNJOCINOJIG-LYRGGWFBSA-N 2 2 389.284 3.588 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC001191367633 917971358 /nfs/dbraw/zinc/97/13/58/917971358.db2.gz RSRVNGITWJMWPJ-HSZRJFAPSA-N 2 2 388.515 3.965 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC001191367633 917971372 /nfs/dbraw/zinc/97/13/72/917971372.db2.gz RSRVNGITWJMWPJ-HSZRJFAPSA-N 2 2 388.515 3.965 20 0 GHADLP CC(C)(CC[NH+]1CCCCCC1)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000653036424 918095688 /nfs/dbraw/zinc/09/56/88/918095688.db2.gz CBZQETRGJKDXCS-UHFFFAOYSA-N 2 2 382.552 3.635 20 0 GHADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1Cl ZINC000364455132 919474592 /nfs/dbraw/zinc/47/45/92/919474592.db2.gz ZYHGSLZFUUFGTN-PXNSSMCTSA-N 2 2 379.976 3.585 20 0 GHADLP CC(C)Oc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1Cl ZINC000364455132 919474618 /nfs/dbraw/zinc/47/46/18/919474618.db2.gz ZYHGSLZFUUFGTN-PXNSSMCTSA-N 2 2 379.976 3.585 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000800403624 920035608 /nfs/dbraw/zinc/03/56/08/920035608.db2.gz NDEJXBROFUUOLE-ROUUACIJSA-N 2 2 388.556 3.656 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000800403624 920035622 /nfs/dbraw/zinc/03/56/22/920035622.db2.gz NDEJXBROFUUOLE-ROUUACIJSA-N 2 2 388.556 3.656 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902749237 922460272 /nfs/dbraw/zinc/46/02/72/922460272.db2.gz RFYUSEIYVITWNV-CEXWTWQISA-N 2 2 391.519 3.732 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000902975897 922670515 /nfs/dbraw/zinc/67/05/15/922670515.db2.gz KHXUESKORISFTA-CQSZACIVSA-N 2 2 375.519 3.578 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903128314 922795778 /nfs/dbraw/zinc/79/57/78/922795778.db2.gz VYLDWYCEQDRMON-IRXDYDNUSA-N 2 2 388.556 3.642 20 0 GHADLP CCN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H](C)c1cc2ccccc2o1 ZINC000369375105 923309903 /nfs/dbraw/zinc/30/99/03/923309903.db2.gz VWOSYTGJIFVQJV-PKOBYXMFSA-N 2 2 398.551 3.694 20 0 GHADLP CCN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H](C)c1cc2ccccc2o1 ZINC000369375105 923309918 /nfs/dbraw/zinc/30/99/18/923309918.db2.gz VWOSYTGJIFVQJV-PKOBYXMFSA-N 2 2 398.551 3.694 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ncc(-c4ccccc4)s3)CC2)CC1 ZINC000677738178 924473162 /nfs/dbraw/zinc/47/31/62/924473162.db2.gz MWUUYKQQCQEHRI-UHFFFAOYSA-N 2 2 384.593 3.801 20 0 GHADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cccc(OCc4ccccc4F)c3)CC2)C1 ZINC000678259039 924692834 /nfs/dbraw/zinc/69/28/34/924692834.db2.gz WRZKVWOFUIXWCE-QFIPXVFZSA-N 2 2 397.538 3.617 20 0 GHADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cccc(OCc4ccccc4F)c3)CC2)C1 ZINC000678259039 924692842 /nfs/dbraw/zinc/69/28/42/924692842.db2.gz WRZKVWOFUIXWCE-QFIPXVFZSA-N 2 2 397.538 3.617 20 0 GHADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000678268156 924698147 /nfs/dbraw/zinc/69/81/47/924698147.db2.gz VISDWNZSCUJOHH-UHFFFAOYSA-N 2 2 386.511 3.683 20 0 GHADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000678268156 924698167 /nfs/dbraw/zinc/69/81/67/924698167.db2.gz VISDWNZSCUJOHH-UHFFFAOYSA-N 2 2 386.511 3.683 20 0 GHADLP C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000678767449 924915171 /nfs/dbraw/zinc/91/51/71/924915171.db2.gz KEVIXHBWJJPAMA-CYFREDJKSA-N 2 2 380.532 3.811 20 0 GHADLP O[C@@]1(C[NH2+]Cc2c(Cl)ccc3cccnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000679719938 925246913 /nfs/dbraw/zinc/24/69/13/925246913.db2.gz SLOMXBOWZKOSNM-JOCHJYFZSA-N 2 2 381.907 3.615 20 0 GHADLP O[C@@]1(C[NH2+]Cc2c(Cl)ccc3cccnc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000679719938 925246918 /nfs/dbraw/zinc/24/69/18/925246918.db2.gz SLOMXBOWZKOSNM-JOCHJYFZSA-N 2 2 381.907 3.615 20 0 GHADLP O[C@]1(C[NH2+]Cc2c(Cl)ccc3cccnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000679719939 925247221 /nfs/dbraw/zinc/24/72/21/925247221.db2.gz SLOMXBOWZKOSNM-QFIPXVFZSA-N 2 2 381.907 3.615 20 0 GHADLP O[C@]1(C[NH2+]Cc2c(Cl)ccc3cccnc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000679719939 925247228 /nfs/dbraw/zinc/24/72/28/925247228.db2.gz SLOMXBOWZKOSNM-QFIPXVFZSA-N 2 2 381.907 3.615 20 0 GHADLP CN(C)C(=O)[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000680036953 925337605 /nfs/dbraw/zinc/33/76/05/925337605.db2.gz CASYQYFHLAJEFE-MOUTVQLLSA-N 2 2 391.559 3.706 20 0 GHADLP CN(C)C(=O)[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000680036953 925337611 /nfs/dbraw/zinc/33/76/11/925337611.db2.gz CASYQYFHLAJEFE-MOUTVQLLSA-N 2 2 391.559 3.706 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC000372430082 925419022 /nfs/dbraw/zinc/41/90/22/925419022.db2.gz YROXLKIXEUSIPT-LJQANCHMSA-N 2 2 380.536 3.550 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(C[NH+]3CCCC3)cc1)CC2 ZINC000372430082 925419026 /nfs/dbraw/zinc/41/90/26/925419026.db2.gz YROXLKIXEUSIPT-LJQANCHMSA-N 2 2 380.536 3.550 20 0 GHADLP C[C@H]([NH2+]Cc1cn2cc(Br)ccc2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401281 925468780 /nfs/dbraw/zinc/46/87/80/925468780.db2.gz NJAYXLLNYIHMCZ-GJZGRUSLSA-N 2 2 391.357 3.839 20 0 GHADLP C[C@H]([NH2+]Cc1cn2cc(Br)ccc2n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401281 925468782 /nfs/dbraw/zinc/46/87/82/925468782.db2.gz NJAYXLLNYIHMCZ-GJZGRUSLSA-N 2 2 391.357 3.839 20 0 GHADLP CN(C(=O)N[C@H](c1ccccc1)C1CCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681210016 925762138 /nfs/dbraw/zinc/76/21/38/925762138.db2.gz BQNYBMZAZKQMQV-DHIUTWEWSA-N 2 2 398.595 3.728 20 0 GHADLP CN(C(=O)N[C@H](c1ccccc1)C1CCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681210016 925762150 /nfs/dbraw/zinc/76/21/50/925762150.db2.gz BQNYBMZAZKQMQV-DHIUTWEWSA-N 2 2 398.595 3.728 20 0 GHADLP C[C@@H](CCC1CCCCC1)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218285 925765097 /nfs/dbraw/zinc/76/50/97/925765097.db2.gz JSWDZSYWHFRTDO-RXVVDRJESA-N 2 2 378.605 3.545 20 0 GHADLP C[C@@H](CCC1CCCCC1)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218285 925765102 /nfs/dbraw/zinc/76/51/02/925765102.db2.gz JSWDZSYWHFRTDO-RXVVDRJESA-N 2 2 378.605 3.545 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccc(OC)cc3)no2)[C@@H](C)C1 ZINC000682535941 926156191 /nfs/dbraw/zinc/15/61/91/926156191.db2.gz MGDFHZNZTXJFFW-UWJYYQICSA-N 2 2 387.524 3.577 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccc(OC)cc3)no2)[C@@H](C)C1 ZINC000682535941 926156196 /nfs/dbraw/zinc/15/61/96/926156196.db2.gz MGDFHZNZTXJFFW-UWJYYQICSA-N 2 2 387.524 3.577 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3OC)no2)[C@@H](C)C1 ZINC000682535770 926156476 /nfs/dbraw/zinc/15/64/76/926156476.db2.gz IOYODQKGRNKGCV-FXAWDEMLSA-N 2 2 387.524 3.577 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3OC)no2)[C@@H](C)C1 ZINC000682535770 926156480 /nfs/dbraw/zinc/15/64/80/926156480.db2.gz IOYODQKGRNKGCV-FXAWDEMLSA-N 2 2 387.524 3.577 20 0 GHADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373484033 926180012 /nfs/dbraw/zinc/18/00/12/926180012.db2.gz KNZJRJXGUJVUIN-DMKPSLHHSA-N 2 2 397.485 3.823 20 0 GHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3ccc(N4CCCC4)nc3)C2)CC1 ZINC000373488088 926184971 /nfs/dbraw/zinc/18/49/71/926184971.db2.gz YOIKJSBGPZJVHL-UHFFFAOYSA-N 2 2 382.474 3.577 20 0 GHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411206167 926199221 /nfs/dbraw/zinc/19/92/21/926199221.db2.gz KDVZQIFXCLQXSX-UHFFFAOYSA-N 2 2 388.515 3.847 20 0 GHADLP Cc1cc(C)c(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c(C)[nH+]1 ZINC000411380817 926347270 /nfs/dbraw/zinc/34/72/70/926347270.db2.gz BJPTZDHAXDGLPH-UHFFFAOYSA-N 2 2 394.519 3.612 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000382527805 926353696 /nfs/dbraw/zinc/35/36/96/926353696.db2.gz IAIFBDNCKXHVOW-GUDVDZBRSA-N 2 2 376.545 3.821 20 0 GHADLP COC(=O)C[C@@](C)([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccccn1 ZINC000411558772 926520638 /nfs/dbraw/zinc/52/06/38/926520638.db2.gz GCCVDGQINDQMDR-HSZRJFAPSA-N 2 2 381.520 3.636 20 0 GHADLP CN(C(=O)[C@@]1(C)C[C@@H]1c1ccccc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000412214619 927216401 /nfs/dbraw/zinc/21/64/01/927216401.db2.gz MFQQVCHGNZDOMT-FVEXOFTDSA-N 2 2 397.607 3.976 20 0 GHADLP CN(C(=O)[C@@]1(C)C[C@@H]1c1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000412214619 927216405 /nfs/dbraw/zinc/21/64/05/927216405.db2.gz MFQQVCHGNZDOMT-FVEXOFTDSA-N 2 2 397.607 3.976 20 0 GHADLP C/C(=C/C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000750052146 927406351 /nfs/dbraw/zinc/40/63/51/927406351.db2.gz VCOPFMYBZMBEPN-SDXDJHTJSA-N 2 2 389.971 3.810 20 0 GHADLP C[NH+](C)Cc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cn1 ZINC000375089371 927898680 /nfs/dbraw/zinc/89/86/80/927898680.db2.gz IMRHIUFBJIBDBS-UHFFFAOYSA-N 2 2 375.476 3.595 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000375266801 928105234 /nfs/dbraw/zinc/10/52/34/928105234.db2.gz RDUJPTFNPRDVMX-QGZVFWFLSA-N 2 2 382.552 3.796 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000375266801 928105246 /nfs/dbraw/zinc/10/52/46/928105246.db2.gz RDUJPTFNPRDVMX-QGZVFWFLSA-N 2 2 382.552 3.796 20 0 GHADLP O[C@@H](CO[C@H]1CCCc2ccccc21)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543989343 928654635 /nfs/dbraw/zinc/65/46/35/928654635.db2.gz DQPYTLCTCXVWGX-VWNXMTODSA-N 2 2 397.563 3.830 20 0 GHADLP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000467180985 928795031 /nfs/dbraw/zinc/79/50/31/928795031.db2.gz LQDDKDLDPKIFRT-QGZVFWFLSA-N 2 2 395.975 3.798 20 0 GHADLP CC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000544178549 928895991 /nfs/dbraw/zinc/89/59/91/928895991.db2.gz NTBLTLSVLCXGQJ-RTWAWAEBSA-N 2 2 392.532 3.992 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000544656180 929394719 /nfs/dbraw/zinc/39/47/19/929394719.db2.gz YTWJFEBFWSTPMD-UGKGYDQZSA-N 2 2 397.567 3.613 20 0 GHADLP C[C@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000469838669 930194755 /nfs/dbraw/zinc/19/47/55/930194755.db2.gz OIYJYJONPCWSNB-VQTJNVASSA-N 2 2 387.572 3.664 20 0 GHADLP Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1OC(F)F ZINC000469882182 930231980 /nfs/dbraw/zinc/23/19/80/930231980.db2.gz SDMSJCMACPQKKA-ZLKJLUDKSA-N 2 2 375.257 3.528 20 0 GHADLP Cc1cc(Br)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1OC(F)F ZINC000469882182 930231988 /nfs/dbraw/zinc/23/19/88/930231988.db2.gz SDMSJCMACPQKKA-ZLKJLUDKSA-N 2 2 375.257 3.528 20 0 GHADLP C[C@H]1CCN(C(=O)NCCCCCCC[NH+]2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000759583124 930412548 /nfs/dbraw/zinc/41/25/48/930412548.db2.gz HRIOIWHMPCVFIT-PMACEKPBSA-N 2 2 375.561 3.522 20 0 GHADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000777497596 931244006 /nfs/dbraw/zinc/24/40/06/931244006.db2.gz XNRYMSIKPIUTJM-MSOLQXFVSA-N 2 2 381.923 3.603 20 0 GHADLP CC(C)[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000777497596 931244016 /nfs/dbraw/zinc/24/40/16/931244016.db2.gz XNRYMSIKPIUTJM-MSOLQXFVSA-N 2 2 381.923 3.603 20 0 GHADLP CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc(C)[nH+]c2N(C)C)CC1 ZINC000782590820 931279009 /nfs/dbraw/zinc/27/90/09/931279009.db2.gz HWLOFKKPNOXAJW-UHFFFAOYSA-N 2 2 375.561 3.822 20 0 GHADLP O=C1C[C@H](c2ccc(Cl)cc2)N1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782943214 931371067 /nfs/dbraw/zinc/37/10/67/931371067.db2.gz PVYKYFJVSLNAKA-HXUWFJFHSA-N 2 2 386.927 3.960 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@]3(O)CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000783308157 931516587 /nfs/dbraw/zinc/51/65/87/931516587.db2.gz BMGOQJWZQMKDHM-OXQOHEQNSA-N 2 2 399.501 3.795 20 0 GHADLP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000924940161 931591385 /nfs/dbraw/zinc/59/13/85/931591385.db2.gz ATAPLOXRURLJEN-PGRDOPGGSA-N 2 2 388.515 3.745 20 0 GHADLP C[C@@H](C[NH2+][C@@H](c1cccnc1)c1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000924967419 931598153 /nfs/dbraw/zinc/59/81/53/931598153.db2.gz XPVMWCDYUSVTSC-YWZLYKJASA-N 2 2 393.362 3.703 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)c1cnnn1C ZINC000925089601 931640991 /nfs/dbraw/zinc/64/09/91/931640991.db2.gz KNRMKTOZLFNJPF-YEWWUXTCSA-N 2 2 381.446 3.568 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)c1cnnn1C ZINC000925089601 931641000 /nfs/dbraw/zinc/64/10/00/931641000.db2.gz KNRMKTOZLFNJPF-YEWWUXTCSA-N 2 2 381.446 3.568 20 0 GHADLP CN(C(=O)CC1CCC(F)(F)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000626261697 931795470 /nfs/dbraw/zinc/79/54/70/931795470.db2.gz HMAFDJGAKIZRLN-UXHICEINSA-N 2 2 399.570 3.998 20 0 GHADLP CN(C(=O)CC1CCC(F)(F)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000626261697 931795483 /nfs/dbraw/zinc/79/54/83/931795483.db2.gz HMAFDJGAKIZRLN-UXHICEINSA-N 2 2 399.570 3.998 20 0 GHADLP COc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)ccc1SC(F)F ZINC000925795777 931906575 /nfs/dbraw/zinc/90/65/75/931906575.db2.gz KQTIGYJNDPPFGN-ZFWWWQNUSA-N 2 2 386.508 3.819 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926107198 932049989 /nfs/dbraw/zinc/04/99/89/932049989.db2.gz LCCFAENCQVHFQD-QFIPXVFZSA-N 2 2 379.508 3.636 20 0 GHADLP COc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc2ccccc21 ZINC000926411185 932167309 /nfs/dbraw/zinc/16/73/09/932167309.db2.gz QNTGDABMSMLUOW-ZNDGOPKYSA-N 2 2 395.547 3.583 20 0 GHADLP COc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc2ccccc21 ZINC000926411185 932167312 /nfs/dbraw/zinc/16/73/12/932167312.db2.gz QNTGDABMSMLUOW-ZNDGOPKYSA-N 2 2 395.547 3.583 20 0 GHADLP CN(C(=O)C[C@H]1CCC(F)(F)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000797958371 932472186 /nfs/dbraw/zinc/47/21/86/932472186.db2.gz XDFAFEGFOQVIGX-QRQLOZEOSA-N 2 2 385.543 3.608 20 0 GHADLP CN(C(=O)C[C@H]1CCC(F)(F)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000797958371 932472191 /nfs/dbraw/zinc/47/21/91/932472191.db2.gz XDFAFEGFOQVIGX-QRQLOZEOSA-N 2 2 385.543 3.608 20 0 GHADLP C[C@]1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000798526389 932691268 /nfs/dbraw/zinc/69/12/68/932691268.db2.gz QFEKSBSOJHTPJM-XMMPIXPASA-N 2 2 388.515 3.573 20 0 GHADLP C[C@]1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798526389 932691270 /nfs/dbraw/zinc/69/12/70/932691270.db2.gz QFEKSBSOJHTPJM-XMMPIXPASA-N 2 2 388.515 3.573 20 0 GHADLP C[C@@H](CCO)[N@@H+](Cc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560165577 933103212 /nfs/dbraw/zinc/10/32/12/933103212.db2.gz FNLLINNRWUFCDB-URXFXBBRSA-N 2 2 382.548 3.551 20 0 GHADLP C[C@@H](CCO)[N@H+](Cc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560165577 933103218 /nfs/dbraw/zinc/10/32/18/933103218.db2.gz FNLLINNRWUFCDB-URXFXBBRSA-N 2 2 382.548 3.551 20 0 GHADLP C[C@@H](CCO)[NH+](Cc1ccccc1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000560165577 933103222 /nfs/dbraw/zinc/10/32/22/933103222.db2.gz FNLLINNRWUFCDB-URXFXBBRSA-N 2 2 382.548 3.551 20 0 GHADLP C[C@@H](CCO)[NH+](Cc1ccccc1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000560165577 933103228 /nfs/dbraw/zinc/10/32/28/933103228.db2.gz FNLLINNRWUFCDB-URXFXBBRSA-N 2 2 382.548 3.551 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCc1cc(Br)cs1 ZINC001116064491 933313725 /nfs/dbraw/zinc/31/37/25/933313725.db2.gz BBTTZYBPGOCGPL-UHFFFAOYSA-N 2 2 391.294 3.971 20 0 GHADLP COc1ccccc1-c1nnc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC001116533843 933616785 /nfs/dbraw/zinc/61/67/85/933616785.db2.gz CBYOJIXFNRZQRV-UHFFFAOYSA-N 2 2 381.480 3.634 20 0 GHADLP O=C1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1c1ccc(Cl)cc1 ZINC000560903121 933673684 /nfs/dbraw/zinc/67/36/84/933673684.db2.gz KKTNPOTVRBFXOB-HXUWFJFHSA-N 2 2 375.944 3.832 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000561077047 933841958 /nfs/dbraw/zinc/84/19/58/933841958.db2.gz CMLXODPSAFMLHC-NRFANRHFSA-N 2 2 378.476 3.594 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000561077047 933841963 /nfs/dbraw/zinc/84/19/63/933841963.db2.gz CMLXODPSAFMLHC-NRFANRHFSA-N 2 2 378.476 3.594 20 0 GHADLP CCOc1ccc(-c2nc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)cs2)cc1OC ZINC000561284767 934021228 /nfs/dbraw/zinc/02/12/28/934021228.db2.gz SGDYVRFCUXQVTD-GOSISDBHSA-N 2 2 375.538 3.695 20 0 GHADLP CC(C)OCc1noc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000930866560 934279347 /nfs/dbraw/zinc/27/93/47/934279347.db2.gz CTMIHMGCMJMAAP-UHFFFAOYSA-N 2 2 398.551 3.873 20 0 GHADLP CCOP(=O)(CCC[NH2+]c1ccc(N2CC[NH+](C)CC2)c(C)c1)OCC ZINC001119295687 934327102 /nfs/dbraw/zinc/32/71/02/934327102.db2.gz FZDZTKFFJNPXPR-UHFFFAOYSA-N 2 2 383.473 3.815 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430409 934552640 /nfs/dbraw/zinc/55/26/40/934552640.db2.gz BEHOTYWHXMAESE-RWMBFGLXSA-N 2 2 389.849 3.569 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430409 934552644 /nfs/dbraw/zinc/55/26/44/934552644.db2.gz BEHOTYWHXMAESE-RWMBFGLXSA-N 2 2 389.849 3.569 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931430409 934552652 /nfs/dbraw/zinc/55/26/52/934552652.db2.gz BEHOTYWHXMAESE-RWMBFGLXSA-N 2 2 389.849 3.569 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931430409 934552660 /nfs/dbraw/zinc/55/26/60/934552660.db2.gz BEHOTYWHXMAESE-RWMBFGLXSA-N 2 2 389.849 3.569 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc(OC)c1OCC(F)F ZINC000561948053 934580195 /nfs/dbraw/zinc/58/01/95/934580195.db2.gz JCPLUEOJLZJXCH-MRXNPFEDSA-N 2 2 398.494 3.656 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc(OC)c1OCC(F)F ZINC000561948053 934580200 /nfs/dbraw/zinc/58/02/00/934580200.db2.gz JCPLUEOJLZJXCH-MRXNPFEDSA-N 2 2 398.494 3.656 20 0 GHADLP CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001121706437 934744192 /nfs/dbraw/zinc/74/41/92/934744192.db2.gz HBMRMGKLQXJJEQ-LJQANCHMSA-N 2 2 398.599 3.802 20 0 GHADLP CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001121706437 934744195 /nfs/dbraw/zinc/74/41/95/934744195.db2.gz HBMRMGKLQXJJEQ-LJQANCHMSA-N 2 2 398.599 3.802 20 0 GHADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000562269510 934798941 /nfs/dbraw/zinc/79/89/41/934798941.db2.gz HMFMRRBHVXXFMY-JKSUJKDBSA-N 2 2 393.601 3.569 20 0 GHADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000562269510 934798946 /nfs/dbraw/zinc/79/89/46/934798946.db2.gz HMFMRRBHVXXFMY-JKSUJKDBSA-N 2 2 393.601 3.569 20 0 GHADLP O=C(C[NH2+][C@@H]1CCCCC12CCCC2)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000562284685 934805370 /nfs/dbraw/zinc/80/53/70/934805370.db2.gz RHPDLIPTQAQXOO-OAQYLSRUSA-N 2 2 385.552 3.550 20 0 GHADLP Cn1c(C(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)ccc1[C@H]1CCCC[NH2+]1 ZINC001122457439 934874485 /nfs/dbraw/zinc/87/44/85/934874485.db2.gz QFSLNLDMDBRYGX-QZTJIDSGSA-N 2 2 397.567 3.811 20 0 GHADLP C[C@@H](C(=O)N1C[C@@H](C)[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC001137552982 935581326 /nfs/dbraw/zinc/58/13/26/935581326.db2.gz JBJAOHHLQSUESD-NJYVYQBISA-N 2 2 391.559 3.555 20 0 GHADLP C[C@@H](C(=O)N1C[C@@H](C)[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC001137552982 935581334 /nfs/dbraw/zinc/58/13/34/935581334.db2.gz JBJAOHHLQSUESD-NJYVYQBISA-N 2 2 391.559 3.555 20 0 GHADLP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC001137552982 935581339 /nfs/dbraw/zinc/58/13/39/935581339.db2.gz JBJAOHHLQSUESD-NJYVYQBISA-N 2 2 391.559 3.555 20 0 GHADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC001137552982 935581345 /nfs/dbraw/zinc/58/13/45/935581345.db2.gz JBJAOHHLQSUESD-NJYVYQBISA-N 2 2 391.559 3.555 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1cc3ccccc3s1)CCC2 ZINC001137682587 935709145 /nfs/dbraw/zinc/70/91/45/935709145.db2.gz QBZYIRHHJLCUPG-UHFFFAOYSA-N 2 2 396.560 3.704 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1cc3ccccc3s1)CCC2 ZINC001137682587 935709148 /nfs/dbraw/zinc/70/91/48/935709148.db2.gz QBZYIRHHJLCUPG-UHFFFAOYSA-N 2 2 396.560 3.704 20 0 GHADLP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1cc3ccccc3s1)CCC2 ZINC001137682587 935709152 /nfs/dbraw/zinc/70/91/52/935709152.db2.gz QBZYIRHHJLCUPG-UHFFFAOYSA-N 2 2 396.560 3.704 20 0 GHADLP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](Cc1cc3ccccc3s1)CCC2 ZINC001137682587 935709154 /nfs/dbraw/zinc/70/91/54/935709154.db2.gz QBZYIRHHJLCUPG-UHFFFAOYSA-N 2 2 396.560 3.704 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc(C(F)(F)F)c4F)C[C@@H]3C2)cn1 ZINC001138008060 935923750 /nfs/dbraw/zinc/92/37/50/935923750.db2.gz GLQBTFDYVOSZKX-WBVHZDCISA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc(C(F)(F)F)c4F)C[C@@H]3C2)cn1 ZINC001138008060 935923752 /nfs/dbraw/zinc/92/37/52/935923752.db2.gz GLQBTFDYVOSZKX-WBVHZDCISA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc(C(F)(F)F)c4F)C[C@@H]3C2)cn1 ZINC001138008060 935923754 /nfs/dbraw/zinc/92/37/54/935923754.db2.gz GLQBTFDYVOSZKX-WBVHZDCISA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc(C(F)(F)F)c4F)C[C@@H]3C2)cn1 ZINC001138008060 935923758 /nfs/dbraw/zinc/92/37/58/935923758.db2.gz GLQBTFDYVOSZKX-WBVHZDCISA-N 2 2 396.432 3.532 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)C[N@H+](Cc2ccccc2)C1 ZINC000468434571 1015704265 /nfs/dbraw/zinc/70/42/65/1015704265.db2.gz HYNKWFPAEJGZOI-SIKLNZKXSA-N 2 2 383.580 3.668 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000468434571 1015704270 /nfs/dbraw/zinc/70/42/70/1015704270.db2.gz HYNKWFPAEJGZOI-SIKLNZKXSA-N 2 2 383.580 3.668 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1Cl ZINC001221398112 1032395610 /nfs/dbraw/zinc/39/56/10/1032395610.db2.gz SQVJTIUCRWCUEN-GHTZIAJQSA-N 2 2 385.939 3.554 20 0 GHADLP Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc(C2CC2)[nH+]1 ZINC001155362309 1032519171 /nfs/dbraw/zinc/51/91/71/1032519171.db2.gz PSHGTWGGYWCRIK-NRFANRHFSA-N 3 2 391.563 3.576 20 0 GHADLP Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc(C2CC2)[nH+]1 ZINC001155362309 1032519179 /nfs/dbraw/zinc/51/91/79/1032519179.db2.gz PSHGTWGGYWCRIK-NRFANRHFSA-N 3 2 391.563 3.576 20 0 GHADLP Cc1ccc2c(c1)[C@H](Nc1cc(N3CCSCC3)nc[nH+]1)CC21CC[NH2+]CC1 ZINC001155443692 1032545126 /nfs/dbraw/zinc/54/51/26/1032545126.db2.gz QCFWTOKUYZEASP-LJQANCHMSA-N 2 2 395.576 3.516 20 0 GHADLP Cc1ccc2c(c1)[C@H](Nc1cc(N3CCSCC3)[nH+]cn1)CC21CC[NH2+]CC1 ZINC001155443692 1032545132 /nfs/dbraw/zinc/54/51/32/1032545132.db2.gz QCFWTOKUYZEASP-LJQANCHMSA-N 2 2 395.576 3.516 20 0 GHADLP CCCC[C@@H](CC)CCCN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001228043588 1032749987 /nfs/dbraw/zinc/74/99/87/1032749987.db2.gz PADPEBQYHQSXES-WOJBJXKFSA-N 2 2 380.621 3.793 20 0 GHADLP CCCC[C@@H](CC)CCCN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001228043588 1032750002 /nfs/dbraw/zinc/75/00/02/1032750002.db2.gz PADPEBQYHQSXES-WOJBJXKFSA-N 2 2 380.621 3.793 20 0 GHADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(Cl)c1 ZINC000575735907 1019942039 /nfs/dbraw/zinc/94/20/39/1019942039.db2.gz JREOUMYKBNYAEL-QKYXUNIQSA-N 2 2 393.959 3.502 20 0 GHADLP COc1cccc2c1CC[C@@H]([NH2+]C1CCN(c3ccc([NH+](C)C)cc3)CC1)C2 ZINC000192443636 1020878218 /nfs/dbraw/zinc/87/82/18/1020878218.db2.gz LFDVUQWKGCNFTJ-HXUWFJFHSA-N 2 2 379.548 3.877 20 0 GHADLP Cc1[nH+]ccn1Cc1ccc(Nc2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC001204537718 1032957505 /nfs/dbraw/zinc/95/75/05/1032957505.db2.gz NWPVMQZYNAPVBO-UHFFFAOYSA-N 2 2 375.520 3.731 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1nc(Br)cs1 ZINC000834548642 1021265038 /nfs/dbraw/zinc/26/50/38/1021265038.db2.gz PUKNJOCMSGLVRB-GFCCVEGCSA-N 2 2 384.343 3.697 20 0 GHADLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902790958 1021541192 /nfs/dbraw/zinc/54/11/92/1021541192.db2.gz SYHLWACMZSYXRA-GBXCKJPGSA-N 3 2 389.547 3.512 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3-c3nccs3)CC2)C1 ZINC001140454761 1021743009 /nfs/dbraw/zinc/74/30/09/1021743009.db2.gz POTQKJXBZBYSCP-GOSISDBHSA-N 2 2 399.560 3.660 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3-c3nccs3)CC2)C1 ZINC001140454761 1021743025 /nfs/dbraw/zinc/74/30/25/1021743025.db2.gz POTQKJXBZBYSCP-GOSISDBHSA-N 2 2 399.560 3.660 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000749132895 1021751689 /nfs/dbraw/zinc/75/16/89/1021751689.db2.gz VIHMKHICQXGFDG-LJQANCHMSA-N 2 2 384.524 3.693 20 0 GHADLP COCC[N@H+](Cc1ccc(OC(F)(F)F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001140562986 1021974719 /nfs/dbraw/zinc/97/47/19/1021974719.db2.gz ZUJZUODSTLZNFK-UHFFFAOYSA-N 2 2 380.838 3.781 20 0 GHADLP COCC[N@@H+](Cc1ccc(OC(F)(F)F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001140562986 1021974723 /nfs/dbraw/zinc/97/47/23/1021974723.db2.gz ZUJZUODSTLZNFK-UHFFFAOYSA-N 2 2 380.838 3.781 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CC[NH+](C[C@@H]5CCCO5)CC4)[C@@H]3C2)cc1 ZINC000679721364 1022042288 /nfs/dbraw/zinc/04/22/88/1022042288.db2.gz LMZSKCZXRSAFNJ-CGBRIMPHSA-N 3 2 397.607 3.520 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CC[NH+](C[C@@H]5CCCO5)CC4)[C@@H]3C2)cc1 ZINC000679721364 1022042304 /nfs/dbraw/zinc/04/23/04/1022042304.db2.gz LMZSKCZXRSAFNJ-CGBRIMPHSA-N 3 2 397.607 3.520 20 0 GHADLP Cc1nn(C)c(C)c1C[NH+]1CCC2(CCn3c(-c4ccccc4)c[nH+]c32)CC1 ZINC001203057259 1022265277 /nfs/dbraw/zinc/26/52/77/1022265277.db2.gz OYWWGKUMZMEMEQ-UHFFFAOYSA-N 2 2 375.520 3.838 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccc3ncn(C)c3c1)CC2 ZINC001140737137 1022394456 /nfs/dbraw/zinc/39/44/56/1022394456.db2.gz FYLRGBUFXSNSSS-UHFFFAOYSA-N 2 2 393.535 3.809 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccc3ncn(C)c3c1)CC2 ZINC001140737137 1022394462 /nfs/dbraw/zinc/39/44/62/1022394462.db2.gz FYLRGBUFXSNSSS-UHFFFAOYSA-N 2 2 393.535 3.809 20 0 GHADLP COCC[N@H+](Cc1ccc(OC(F)F)c(OCC2CC2)c1)C1CC[NH+](C)CC1 ZINC001140905362 1022843573 /nfs/dbraw/zinc/84/35/73/1022843573.db2.gz ACNRUOPKGFCDDI-UHFFFAOYSA-N 2 2 398.494 3.619 20 0 GHADLP COCC[N@@H+](Cc1ccc(OC(F)F)c(OCC2CC2)c1)C1CC[NH+](C)CC1 ZINC001140905362 1022843588 /nfs/dbraw/zinc/84/35/88/1022843588.db2.gz ACNRUOPKGFCDDI-UHFFFAOYSA-N 2 2 398.494 3.619 20 0 GHADLP c1cc(-c2ccccn2)sc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001140999988 1023136444 /nfs/dbraw/zinc/13/64/44/1023136444.db2.gz NZCFVJOMPFZJEI-HDICACEKSA-N 2 2 376.529 3.769 20 0 GHADLP c1cc(-c2ccccn2)sc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001140999988 1023136452 /nfs/dbraw/zinc/13/64/52/1023136452.db2.gz NZCFVJOMPFZJEI-HDICACEKSA-N 2 2 376.529 3.769 20 0 GHADLP c1cc(-c2ccccn2)sc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001140999988 1023136455 /nfs/dbraw/zinc/13/64/55/1023136455.db2.gz NZCFVJOMPFZJEI-HDICACEKSA-N 2 2 376.529 3.769 20 0 GHADLP c1cc(-c2ccccn2)sc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001140999988 1023136458 /nfs/dbraw/zinc/13/64/58/1023136458.db2.gz NZCFVJOMPFZJEI-HDICACEKSA-N 2 2 376.529 3.769 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(C(F)(F)F)c(F)c4)C[C@@H]3C2)cn1 ZINC001204872929 1033135749 /nfs/dbraw/zinc/13/57/49/1033135749.db2.gz YSSYJOFTQQJYJB-SJORKVTESA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(C(F)(F)F)c(F)c4)C[C@@H]3C2)cn1 ZINC001204872929 1033135757 /nfs/dbraw/zinc/13/57/57/1033135757.db2.gz YSSYJOFTQQJYJB-SJORKVTESA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(C(F)(F)F)c(F)c4)C[C@@H]3C2)cn1 ZINC001204872929 1033135774 /nfs/dbraw/zinc/13/57/74/1033135774.db2.gz YSSYJOFTQQJYJB-SJORKVTESA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(C(F)(F)F)c(F)c4)C[C@@H]3C2)cn1 ZINC001204872929 1033135790 /nfs/dbraw/zinc/13/57/90/1033135790.db2.gz YSSYJOFTQQJYJB-SJORKVTESA-N 2 2 396.432 3.532 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c(F)c1 ZINC001141193556 1024072695 /nfs/dbraw/zinc/07/26/95/1024072695.db2.gz NEGCNYWQQQRFQZ-GIWBLDEGSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c(F)c1 ZINC001141193556 1024072711 /nfs/dbraw/zinc/07/27/11/1024072711.db2.gz NEGCNYWQQQRFQZ-GIWBLDEGSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c(F)c1 ZINC001141193556 1024072724 /nfs/dbraw/zinc/07/27/24/1024072724.db2.gz NEGCNYWQQQRFQZ-GIWBLDEGSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c(F)c1 ZINC001141193556 1024072738 /nfs/dbraw/zinc/07/27/38/1024072738.db2.gz NEGCNYWQQQRFQZ-GIWBLDEGSA-N 2 2 382.527 3.706 20 0 GHADLP [NH3+]CC1CC[NH+](Cc2cc(Br)cc(Br)c2F)CC1 ZINC001205058858 1033229219 /nfs/dbraw/zinc/22/92/19/1033229219.db2.gz WIFKGVMCUZGJSK-UHFFFAOYSA-N 2 2 380.099 3.521 20 0 GHADLP COc1ccc2c(C[NH+]3CCC4(CCC[N@@H+]4Cc4ccn(C)n4)CC3)c[nH]c2c1 ZINC001138586786 1025070059 /nfs/dbraw/zinc/07/00/59/1025070059.db2.gz KITSVTMSZYDCDH-UHFFFAOYSA-N 2 2 393.535 3.541 20 0 GHADLP COc1ccc2c(C[NH+]3CCC4(CCC[N@H+]4Cc4ccn(C)n4)CC3)c[nH]c2c1 ZINC001138586786 1025070064 /nfs/dbraw/zinc/07/00/64/1025070064.db2.gz KITSVTMSZYDCDH-UHFFFAOYSA-N 2 2 393.535 3.541 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1ccc(-c3ccc(F)cc3)cc1)CC2 ZINC001138679510 1025204280 /nfs/dbraw/zinc/20/42/80/1025204280.db2.gz CGTILKMCCOIIGI-UHFFFAOYSA-N 2 2 395.522 3.669 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1ccc(-c3ccc(F)cc3)cc1)CC2 ZINC001138679510 1025204288 /nfs/dbraw/zinc/20/42/88/1025204288.db2.gz CGTILKMCCOIIGI-UHFFFAOYSA-N 2 2 395.522 3.669 20 0 GHADLP Cc1cccc(Cl)c1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001138719822 1025243972 /nfs/dbraw/zinc/24/39/72/1025243972.db2.gz FSAMDCFCUIEXEK-LQWHRVPQSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1cccc(Cl)c1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001138719822 1025243981 /nfs/dbraw/zinc/24/39/81/1025243981.db2.gz FSAMDCFCUIEXEK-LQWHRVPQSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1cccc(Cl)c1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001138719822 1025243987 /nfs/dbraw/zinc/24/39/87/1025243987.db2.gz FSAMDCFCUIEXEK-LQWHRVPQSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1cccc(Cl)c1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001138719822 1025243997 /nfs/dbraw/zinc/24/39/97/1025243997.db2.gz FSAMDCFCUIEXEK-LQWHRVPQSA-N 2 2 387.959 3.613 20 0 GHADLP COc1ccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c2c(OC)cccc12 ZINC001138752932 1025297027 /nfs/dbraw/zinc/29/70/27/1025297027.db2.gz ZMXQJACZEGPIEG-UHFFFAOYSA-N 2 2 398.547 3.932 20 0 GHADLP COc1ccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c2c(OC)cccc12 ZINC001138752932 1025297042 /nfs/dbraw/zinc/29/70/42/1025297042.db2.gz ZMXQJACZEGPIEG-UHFFFAOYSA-N 2 2 398.547 3.932 20 0 GHADLP CCCCc1ccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](CCOC)C3)s1 ZINC001138753098 1025299286 /nfs/dbraw/zinc/29/92/86/1025299286.db2.gz HDVZLTOVDLKFPF-NRFANRHFSA-N 2 2 380.598 3.652 20 0 GHADLP CCCCc1ccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](CCOC)C3)s1 ZINC001138753098 1025299300 /nfs/dbraw/zinc/29/93/00/1025299300.db2.gz HDVZLTOVDLKFPF-NRFANRHFSA-N 2 2 380.598 3.652 20 0 GHADLP CCCCc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](CCOC)C3)s1 ZINC001138753098 1025299310 /nfs/dbraw/zinc/29/93/10/1025299310.db2.gz HDVZLTOVDLKFPF-NRFANRHFSA-N 2 2 380.598 3.652 20 0 GHADLP CCCCc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](CCOC)C3)s1 ZINC001138753098 1025299323 /nfs/dbraw/zinc/29/93/23/1025299323.db2.gz HDVZLTOVDLKFPF-NRFANRHFSA-N 2 2 380.598 3.652 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cccc3ccnn31)CC2 ZINC001138806484 1025398048 /nfs/dbraw/zinc/39/80/48/1025398048.db2.gz XOCGIEJFDNXOQQ-UHFFFAOYSA-N 2 2 379.508 3.570 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cccc3ccnn31)CC2 ZINC001138806484 1025398065 /nfs/dbraw/zinc/39/80/65/1025398065.db2.gz XOCGIEJFDNXOQQ-UHFFFAOYSA-N 2 2 379.508 3.570 20 0 GHADLP CCOC(=O)c1c(C)cc(N2CCC([NH3+])(Cc3ccccc3F)CC2)[nH+]c1C ZINC001161988367 1025522975 /nfs/dbraw/zinc/52/29/75/1025522975.db2.gz IKNHQLMFUTUGKU-UHFFFAOYSA-N 2 2 385.483 3.555 20 0 GHADLP CCOC(=O)Cc1cc[nH+]c(N[C@H](CC2CC[NH2+]CC2)c2ccccc2F)c1 ZINC001162237528 1025685901 /nfs/dbraw/zinc/68/59/01/1025685901.db2.gz NUISXJXSJLVLFR-HXUWFJFHSA-N 2 2 385.483 3.869 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001461034305 1069349553 /nfs/dbraw/zinc/34/95/53/1069349553.db2.gz AGZVPNRRHIKNCC-NRFANRHFSA-N 2 2 381.564 3.818 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc4ccn(CC)c4c3)CC2)CC1 ZINC001139121727 1025933570 /nfs/dbraw/zinc/93/35/70/1025933570.db2.gz OIAFNZMZOSUUNI-UHFFFAOYSA-N 2 2 397.563 3.901 20 0 GHADLP Cc1cc(C)[nH+]c(N(c2cc(-c3ccc(C[NH3+])cc3)nn(C)c2=O)C(C)(C)C)c1 ZINC001162887354 1025954129 /nfs/dbraw/zinc/95/41/29/1025954129.db2.gz WQDODNRZHDJBSL-UHFFFAOYSA-N 2 2 391.519 3.854 20 0 GHADLP FC(F)(F)Oc1ccc(-c2cc[nH+]c(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC001163313680 1026138791 /nfs/dbraw/zinc/13/87/91/1026138791.db2.gz YGRFZIFSDWQVNZ-VQIMIIECSA-N 2 2 393.409 3.970 20 0 GHADLP CC(C)[N@@H+]1CC[C@@H](Nc2ncnc3c2C[NH+](Cc2ccccc2)CC3)[C@H](C)C1 ZINC001163363370 1026160679 /nfs/dbraw/zinc/16/06/79/1026160679.db2.gz QJLNAKAKBQPKDW-WIYYLYMNSA-N 2 2 379.552 3.566 20 0 GHADLP CC(C)[N@H+]1CC[C@@H](Nc2ncnc3c2C[NH+](Cc2ccccc2)CC3)[C@H](C)C1 ZINC001163363370 1026160685 /nfs/dbraw/zinc/16/06/85/1026160685.db2.gz QJLNAKAKBQPKDW-WIYYLYMNSA-N 2 2 379.552 3.566 20 0 GHADLP CC(C)[NH+]1CC[C@@H](Nc2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@H](C)C1 ZINC001163363370 1026160693 /nfs/dbraw/zinc/16/06/93/1026160693.db2.gz QJLNAKAKBQPKDW-WIYYLYMNSA-N 2 2 379.552 3.566 20 0 GHADLP CC(C)[NH+]1CC[C@@H](Nc2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@H](C)C1 ZINC001163363370 1026160695 /nfs/dbraw/zinc/16/06/95/1026160695.db2.gz QJLNAKAKBQPKDW-WIYYLYMNSA-N 2 2 379.552 3.566 20 0 GHADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(Sc4ccccc4)CC3)s2)CC1 ZINC001139325758 1026184737 /nfs/dbraw/zinc/18/47/37/1026184737.db2.gz YYXHHHXRQSKNNH-UHFFFAOYSA-N 2 2 388.606 3.652 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001139358680 1026230607 /nfs/dbraw/zinc/23/06/07/1026230607.db2.gz UMIMBRKMXJBPJO-MJGOQNOKSA-N 2 2 384.524 3.855 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001139358680 1026230623 /nfs/dbraw/zinc/23/06/23/1026230623.db2.gz UMIMBRKMXJBPJO-MJGOQNOKSA-N 2 2 384.524 3.855 20 0 GHADLP C[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139358299 1026231237 /nfs/dbraw/zinc/23/12/37/1026231237.db2.gz OKNNZVVBZCLCAS-HKUYNNGSSA-N 2 2 384.524 3.998 20 0 GHADLP C[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139358299 1026231249 /nfs/dbraw/zinc/23/12/49/1026231249.db2.gz OKNNZVVBZCLCAS-HKUYNNGSSA-N 2 2 384.524 3.998 20 0 GHADLP Cc1cccc(N2C[C@]3(CC[N@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C3)CC2=O)c1 ZINC001139359720 1026232519 /nfs/dbraw/zinc/23/25/19/1026232519.db2.gz IQGBYVRRNVCXHS-XMMPIXPASA-N 2 2 386.499 3.810 20 0 GHADLP Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C3)CC2=O)c1 ZINC001139359720 1026232521 /nfs/dbraw/zinc/23/25/21/1026232521.db2.gz IQGBYVRRNVCXHS-XMMPIXPASA-N 2 2 386.499 3.810 20 0 GHADLP O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139359575 1026232732 /nfs/dbraw/zinc/23/27/32/1026232732.db2.gz GBHICYAKBPDVTK-RUZDIDTESA-N 2 2 398.510 3.773 20 0 GHADLP O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139359575 1026232746 /nfs/dbraw/zinc/23/27/46/1026232746.db2.gz GBHICYAKBPDVTK-RUZDIDTESA-N 2 2 398.510 3.773 20 0 GHADLP CCn1c2ccccc2nc1N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001139363630 1026240916 /nfs/dbraw/zinc/24/09/16/1026240916.db2.gz ILQNPFHXRWLMNZ-UHFFFAOYSA-N 2 2 386.503 3.564 20 0 GHADLP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001139465632 1026332746 /nfs/dbraw/zinc/33/27/46/1026332746.db2.gz UNKGCCDTVNZJPO-INIZCTEOSA-N 2 2 379.460 3.701 20 0 GHADLP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001139465632 1026332754 /nfs/dbraw/zinc/33/27/54/1026332754.db2.gz UNKGCCDTVNZJPO-INIZCTEOSA-N 2 2 379.460 3.701 20 0 GHADLP COC1CC[NH+](C2CC[NH+](Cc3c[nH]c4ncc(C(F)(F)F)cc34)CC2)CC1 ZINC001139542470 1026404759 /nfs/dbraw/zinc/40/47/59/1026404759.db2.gz MFQJEMPVCUQRBI-UHFFFAOYSA-N 2 2 396.457 3.657 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C[C@@H](c2cccc(C(F)(F)F)c2)CC1=O ZINC000840029764 1026414430 /nfs/dbraw/zinc/41/44/30/1026414430.db2.gz GVGKERQRVZEYDV-KRWDZBQOSA-N 2 2 394.441 3.506 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C[C@@H](c2cccc(C(F)(F)F)c2)CC1=O ZINC000840029764 1026414439 /nfs/dbraw/zinc/41/44/39/1026414439.db2.gz GVGKERQRVZEYDV-KRWDZBQOSA-N 2 2 394.441 3.506 20 0 GHADLP Clc1ccnc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001139560985 1026430927 /nfs/dbraw/zinc/43/09/27/1026430927.db2.gz DSLOOBVIUHRGAU-UHFFFAOYSA-N 2 2 377.941 3.664 20 0 GHADLP Clc1ccnc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001139560985 1026430930 /nfs/dbraw/zinc/43/09/30/1026430930.db2.gz DSLOOBVIUHRGAU-UHFFFAOYSA-N 2 2 377.941 3.664 20 0 GHADLP COc1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)s1 ZINC001139816603 1026638345 /nfs/dbraw/zinc/63/83/45/1026638345.db2.gz GHHUQMUPFXJZSP-QGTPRVQTSA-N 2 2 377.579 3.946 20 0 GHADLP COc1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)s1 ZINC001139816603 1026638352 /nfs/dbraw/zinc/63/83/52/1026638352.db2.gz GHHUQMUPFXJZSP-QGTPRVQTSA-N 2 2 377.579 3.946 20 0 GHADLP COc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)s1 ZINC001139816603 1026638357 /nfs/dbraw/zinc/63/83/57/1026638357.db2.gz GHHUQMUPFXJZSP-QGTPRVQTSA-N 2 2 377.579 3.946 20 0 GHADLP COc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)s1 ZINC001139816603 1026638362 /nfs/dbraw/zinc/63/83/62/1026638362.db2.gz GHHUQMUPFXJZSP-QGTPRVQTSA-N 2 2 377.579 3.946 20 0 GHADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CCC4(CC([NH3+])C4)CC3)c12 ZINC001165243644 1026678216 /nfs/dbraw/zinc/67/82/16/1026678216.db2.gz NNXORCKRNZZVSE-UHFFFAOYSA-N 2 2 375.520 3.804 20 0 GHADLP Cc1[nH+]c2c(n1-c1cnc(-c3ccccc3)c(-c3ccccc3)n1)CC[NH2+]CC2 ZINC001165353214 1026710676 /nfs/dbraw/zinc/71/06/76/1026710676.db2.gz MLOLXRBXMYTONK-UHFFFAOYSA-N 2 2 381.483 3.993 20 0 GHADLP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccc(C(C)(C)C)c[nH+]1)C2 ZINC001165407650 1026720857 /nfs/dbraw/zinc/72/08/57/1026720857.db2.gz UVQIWNQRNBFROU-FDDCHVKYSA-N 2 2 385.552 3.528 20 0 GHADLP C[C@H](C[NH2+]Cc1cc(Br)sc1Br)Cn1cc[nH+]c1 ZINC001461155559 1069416687 /nfs/dbraw/zinc/41/66/87/1069416687.db2.gz ICMHUIGJCUUPQZ-SECBINFHSA-N 2 2 393.148 3.896 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001140021199 1026804995 /nfs/dbraw/zinc/80/49/95/1026804995.db2.gz JUVHPEMCWHOLTC-UYAOXDASSA-N 2 2 382.508 3.622 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001140021199 1026804997 /nfs/dbraw/zinc/80/49/97/1026804997.db2.gz JUVHPEMCWHOLTC-UYAOXDASSA-N 2 2 382.508 3.622 20 0 GHADLP CCOC[C@H]1COCCC12CC[NH+](Cc1ccccc1-n1cc[nH+]c1C)CC2 ZINC001140025896 1026812757 /nfs/dbraw/zinc/81/27/57/1026812757.db2.gz SLIIUXMJFLEDEK-NRFANRHFSA-N 2 2 383.536 3.836 20 0 GHADLP COc1cccc(-c2ncc(C[N@H+](C3CCCC3)C3CC[NH+](C)CC3)cn2)c1 ZINC001140196579 1026970321 /nfs/dbraw/zinc/97/03/21/1026970321.db2.gz RHVQQWVSYRANEQ-UHFFFAOYSA-N 2 2 380.536 3.991 20 0 GHADLP COc1cccc(-c2ncc(C[N@@H+](C3CCCC3)C3CC[NH+](C)CC3)cn2)c1 ZINC001140196579 1026970324 /nfs/dbraw/zinc/97/03/24/1026970324.db2.gz RHVQQWVSYRANEQ-UHFFFAOYSA-N 2 2 380.536 3.991 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)Cc2c[nH+]ccc2N)C1 ZINC001209733234 1027126896 /nfs/dbraw/zinc/12/68/96/1027126896.db2.gz SMLYYPMWKFWRND-FQEVSTJZSA-N 2 2 396.535 3.896 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)Cc2c[nH+]ccc2N)C1 ZINC001209733234 1027126908 /nfs/dbraw/zinc/12/69/08/1027126908.db2.gz SMLYYPMWKFWRND-FQEVSTJZSA-N 2 2 396.535 3.896 20 0 GHADLP CCOC(=O)CCCc1[nH+]c2cc(Nc3cccc(C[NH2+]C)c3)ccc2n1C ZINC001211138730 1027805038 /nfs/dbraw/zinc/80/50/38/1027805038.db2.gz PLGKPXJZBNRHFB-UHFFFAOYSA-N 2 2 380.492 3.922 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1[C@@H](C[NH2+]Cc1c[nH+]c(C)n1C)C(F)(F)F ZINC001204047289 1027837778 /nfs/dbraw/zinc/83/77/78/1027837778.db2.gz BXGYURHKCZTMOV-GOSISDBHSA-N 2 2 391.441 3.967 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccnc4ccccc24)CC3)cn1 ZINC001204084767 1027861168 /nfs/dbraw/zinc/86/11/68/1027861168.db2.gz NDRGFIHOZKCTLC-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccnc4ccccc24)CC3)cn1 ZINC001204084767 1027861173 /nfs/dbraw/zinc/86/11/73/1027861173.db2.gz NDRGFIHOZKCTLC-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP Cc1c[nH+]cc(Nc2ccc(N3CCC([NH+]4CCN(C)CC4)CC3)cc2)c1C ZINC001213532469 1028244471 /nfs/dbraw/zinc/24/44/71/1028244471.db2.gz KAJILQQHKIDRDM-UHFFFAOYSA-N 2 2 379.552 3.658 20 0 GHADLP Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1O ZINC000182094309 1029099161 /nfs/dbraw/zinc/09/91/61/1029099161.db2.gz SNVLYNUVVFUVOA-AWEZNQCLSA-N 2 2 378.314 3.651 20 0 GHADLP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1O ZINC000182094309 1029099185 /nfs/dbraw/zinc/09/91/85/1029099185.db2.gz SNVLYNUVVFUVOA-AWEZNQCLSA-N 2 2 378.314 3.651 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)C[C@@H]2C1 ZINC000842702000 1029512547 /nfs/dbraw/zinc/51/25/47/1029512547.db2.gz FGZZAWWIYHGVAA-HLNWXESRSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CCCC[N@H+]3C3CC3)C[C@@H]2C1 ZINC000842702000 1029512554 /nfs/dbraw/zinc/51/25/54/1029512554.db2.gz FGZZAWWIYHGVAA-HLNWXESRSA-N 2 2 377.573 3.629 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000184731091 1029596793 /nfs/dbraw/zinc/59/67/93/1029596793.db2.gz MDTHMYJLEZXJMW-IBGZPJMESA-N 2 2 390.572 3.712 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000184731091 1029596796 /nfs/dbraw/zinc/59/67/96/1029596796.db2.gz MDTHMYJLEZXJMW-IBGZPJMESA-N 2 2 390.572 3.712 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cc(-c5ccccc5)nn4C)C[C@@H]3C2)cc1 ZINC001143009783 1029779644 /nfs/dbraw/zinc/77/96/44/1029779644.db2.gz UDSKPANJPWSIHI-ZRZAMGCNSA-N 2 2 386.543 3.959 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cc(-c5ccccc5)nn4C)C[C@@H]3C2)cc1 ZINC001143009783 1029779653 /nfs/dbraw/zinc/77/96/53/1029779653.db2.gz UDSKPANJPWSIHI-ZRZAMGCNSA-N 2 2 386.543 3.959 20 0 GHADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cc(-c5ccccc5)nn4C)C[C@@H]3C2)cc1 ZINC001143009783 1029779665 /nfs/dbraw/zinc/77/96/65/1029779665.db2.gz UDSKPANJPWSIHI-ZRZAMGCNSA-N 2 2 386.543 3.959 20 0 GHADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cc(-c5ccccc5)nn4C)C[C@@H]3C2)cc1 ZINC001143009783 1029779670 /nfs/dbraw/zinc/77/96/70/1029779670.db2.gz UDSKPANJPWSIHI-ZRZAMGCNSA-N 2 2 386.543 3.959 20 0 GHADLP Cn1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c2cc(Br)ccc21 ZINC001222264729 1030038965 /nfs/dbraw/zinc/03/89/65/1030038965.db2.gz HWGGHVRVCHOVCX-IBGZPJMESA-N 2 2 376.342 3.906 20 0 GHADLP Cn1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c2cc(Br)ccc21 ZINC001222264729 1030038984 /nfs/dbraw/zinc/03/89/84/1030038984.db2.gz HWGGHVRVCHOVCX-IBGZPJMESA-N 2 2 376.342 3.906 20 0 GHADLP COCc1cccc(-c2noc(-c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)n2)c1 ZINC001217117117 1030177428 /nfs/dbraw/zinc/17/74/28/1030177428.db2.gz VFHRTQKQHSPQLQ-UHFFFAOYSA-N 2 2 394.519 3.934 20 0 GHADLP COCc1cccc(-c2noc(-c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)n2)c1 ZINC001217117117 1030177434 /nfs/dbraw/zinc/17/74/34/1030177434.db2.gz VFHRTQKQHSPQLQ-UHFFFAOYSA-N 2 2 394.519 3.934 20 0 GHADLP COc1cc(F)cc(-c2noc(-c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)n2)c1 ZINC001217116446 1030178164 /nfs/dbraw/zinc/17/81/64/1030178164.db2.gz MQFJCFDMPIFHRM-UHFFFAOYSA-N 2 2 398.482 3.935 20 0 GHADLP COc1cc(F)cc(-c2noc(-c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)n2)c1 ZINC001217116446 1030178174 /nfs/dbraw/zinc/17/81/74/1030178174.db2.gz MQFJCFDMPIFHRM-UHFFFAOYSA-N 2 2 398.482 3.935 20 0 GHADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222582953 1030212394 /nfs/dbraw/zinc/21/23/94/1030212394.db2.gz ILMZPJUIUOAMLN-OAQYLSRUSA-N 3 2 390.531 3.866 20 0 GHADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222582953 1030212407 /nfs/dbraw/zinc/21/24/07/1030212407.db2.gz ILMZPJUIUOAMLN-OAQYLSRUSA-N 3 2 390.531 3.866 20 0 GHADLP Cc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001461651303 1069658701 /nfs/dbraw/zinc/65/87/01/1069658701.db2.gz FRRMGKXLSFYWDK-DEOSSOPVSA-N 2 2 380.532 3.873 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001150139315 1030422498 /nfs/dbraw/zinc/42/24/98/1030422498.db2.gz CVYCBTBAWGKQKU-WMZHIEFXSA-N 2 2 388.515 3.572 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001150139315 1030422503 /nfs/dbraw/zinc/42/25/03/1030422503.db2.gz CVYCBTBAWGKQKU-WMZHIEFXSA-N 2 2 388.515 3.572 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccnc(-c2ccccn2)n1 ZINC001461717182 1069699599 /nfs/dbraw/zinc/69/95/99/1069699599.db2.gz DKTIDJYNSWLRED-UHFFFAOYSA-N 2 2 375.520 3.786 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccnc(-c2ccccn2)n1 ZINC001461717182 1069699602 /nfs/dbraw/zinc/69/96/02/1069699602.db2.gz DKTIDJYNSWLRED-UHFFFAOYSA-N 2 2 375.520 3.786 20 0 GHADLP [NH3+]CCN(C(=O)c1cccc2c1C[N@H+](Cc1ccccc1)C2)c1ccc(F)cc1 ZINC001151819723 1031015680 /nfs/dbraw/zinc/01/56/80/1031015680.db2.gz KRSAJGIQLHWYAE-UHFFFAOYSA-N 2 2 389.474 3.947 20 0 GHADLP [NH3+]CCN(C(=O)c1cccc2c1C[N@@H+](Cc1ccccc1)C2)c1ccc(F)cc1 ZINC001151819723 1031015700 /nfs/dbraw/zinc/01/57/00/1031015700.db2.gz KRSAJGIQLHWYAE-UHFFFAOYSA-N 2 2 389.474 3.947 20 0 GHADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1-c1c(O)ccc2ccccc21 ZINC001218917110 1031150956 /nfs/dbraw/zinc/15/09/56/1031150956.db2.gz KVXBYSGZKKCSCK-IBGZPJMESA-N 2 2 385.467 3.980 20 0 GHADLP CC(C)(C)c1ccc(Br)c(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)c1 ZINC001219083289 1031247591 /nfs/dbraw/zinc/24/75/91/1031247591.db2.gz RCESESXRGHGCED-INIZCTEOSA-N 2 2 390.325 3.957 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2)c1ccccc1Cl ZINC001219536845 1031480877 /nfs/dbraw/zinc/48/08/77/1031480877.db2.gz FJSUFEXFNAAULR-ZRCAFCQKSA-N 2 2 399.922 3.809 20 0 GHADLP C[C@@H](CCNC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)[NH+]1CCCCC1 ZINC001226091132 1031783089 /nfs/dbraw/zinc/78/30/89/1031783089.db2.gz CGSKFPIITAWTTB-OALUTQOASA-N 2 2 389.588 3.792 20 0 GHADLP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001461851263 1069793635 /nfs/dbraw/zinc/79/36/35/1069793635.db2.gz LDXPIBCRWVBTEM-GOSISDBHSA-N 2 2 383.536 3.961 20 0 GHADLP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001461851263 1069793643 /nfs/dbraw/zinc/79/36/43/1069793643.db2.gz LDXPIBCRWVBTEM-GOSISDBHSA-N 2 2 383.536 3.961 20 0 GHADLP c1cc(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)ccc1C[NH+]1CCOCC1 ZINC001205810776 1033585601 /nfs/dbraw/zinc/58/56/01/1033585601.db2.gz DZQICPPFGVYUHR-UHFFFAOYSA-N 2 2 393.531 3.584 20 0 GHADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1Br ZINC001205914569 1033634324 /nfs/dbraw/zinc/63/43/24/1033634324.db2.gz NBJIKCNPGAHLOZ-QWRGUYRKSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1Br ZINC001205914569 1033634333 /nfs/dbraw/zinc/63/43/33/1033634333.db2.gz NBJIKCNPGAHLOZ-QWRGUYRKSA-N 2 2 381.236 3.907 20 0 GHADLP c1cn(Cc2ccccc2)c2cc[nH+]c(N(c3cnccn3)C3CC[NH2+]CC3)c12 ZINC001157541473 1033649331 /nfs/dbraw/zinc/64/93/31/1033649331.db2.gz OGPUPAQQMWSVKJ-UHFFFAOYSA-N 2 2 384.487 3.765 20 0 GHADLP Cc1ccc([C@H](C(=O)N2CCc3ccccc3[C@H]2C)[NH+]2CCC([NH3+])CC2)cc1 ZINC001157702903 1033731750 /nfs/dbraw/zinc/73/17/50/1033731750.db2.gz GAARPXZSUZKWMB-WZONZLPQSA-N 2 2 377.532 3.605 20 0 GHADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(c3cc[nH+]c(OC)c3)CC2)nc1 ZINC001158097526 1033914535 /nfs/dbraw/zinc/91/45/35/1033914535.db2.gz DHPOSPRWSLCEGL-OAQYLSRUSA-N 2 2 395.551 3.749 20 0 GHADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN(c3cc[nH+]c(OC)c3)CC2)nc1 ZINC001158097526 1033914540 /nfs/dbraw/zinc/91/45/40/1033914540.db2.gz DHPOSPRWSLCEGL-OAQYLSRUSA-N 2 2 395.551 3.749 20 0 GHADLP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC001158148081 1033936532 /nfs/dbraw/zinc/93/65/32/1033936532.db2.gz LYDKQUPMNCATSZ-WGSAOQKQSA-N 2 2 383.515 3.883 20 0 GHADLP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC001158148081 1033936536 /nfs/dbraw/zinc/93/65/36/1033936536.db2.gz LYDKQUPMNCATSZ-WGSAOQKQSA-N 2 2 383.515 3.883 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc4cnn([C@@H]5CCCCO5)c4c3)c2)C1 ZINC001206675939 1033939849 /nfs/dbraw/zinc/93/98/49/1033939849.db2.gz QHEUNDYYAPBQMQ-GMAHTHKFSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc4cnn([C@@H]5CCCCO5)c4c3)c2)C1 ZINC001206675939 1033939852 /nfs/dbraw/zinc/93/98/52/1033939852.db2.gz QHEUNDYYAPBQMQ-GMAHTHKFSA-N 2 2 376.504 3.935 20 0 GHADLP Cc1ccc(-c2csc3ncnc(N4CCC([N@@H+]5CC[C@H]([NH3+])C5)CC4)c23)cc1 ZINC001158258535 1033991475 /nfs/dbraw/zinc/99/14/75/1033991475.db2.gz BRMOLCZQKYXFQD-KRWDZBQOSA-N 2 2 393.560 3.669 20 0 GHADLP Cc1ccc(-c2csc3ncnc(N4CCC([N@H+]5CC[C@H]([NH3+])C5)CC4)c23)cc1 ZINC001158258535 1033991481 /nfs/dbraw/zinc/99/14/81/1033991481.db2.gz BRMOLCZQKYXFQD-KRWDZBQOSA-N 2 2 393.560 3.669 20 0 GHADLP Cc1ccc(-c2nnc(N3CCC([N@@H+]4CC[C@@H]([NH3+])C4)CC3)c3ccccc32)cc1 ZINC001158270988 1033995549 /nfs/dbraw/zinc/99/55/49/1033995549.db2.gz WZUZSKSYRPRECO-LJQANCHMSA-N 2 2 387.531 3.607 20 0 GHADLP Cc1ccc(-c2nnc(N3CCC([N@H+]4CC[C@@H]([NH3+])C4)CC3)c3ccccc32)cc1 ZINC001158270988 1033995557 /nfs/dbraw/zinc/99/55/57/1033995557.db2.gz WZUZSKSYRPRECO-LJQANCHMSA-N 2 2 387.531 3.607 20 0 GHADLP Cc1ccc(-c2nnc(N3CCC([N@@H+]4CC[C@H]([NH3+])C4)CC3)c3ccccc32)cc1 ZINC001158270987 1033995754 /nfs/dbraw/zinc/99/57/54/1033995754.db2.gz WZUZSKSYRPRECO-IBGZPJMESA-N 2 2 387.531 3.607 20 0 GHADLP Cc1ccc(-c2nnc(N3CCC([N@H+]4CC[C@H]([NH3+])C4)CC3)c3ccccc32)cc1 ZINC001158270987 1033995760 /nfs/dbraw/zinc/99/57/60/1033995760.db2.gz WZUZSKSYRPRECO-IBGZPJMESA-N 2 2 387.531 3.607 20 0 GHADLP C[C@@H](CC[NH2+][C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001207169873 1034140502 /nfs/dbraw/zinc/14/05/02/1034140502.db2.gz XSVQGFYCJVNLMX-NLWGTHIKSA-N 2 2 375.557 3.932 20 0 GHADLP C[C@@H](CC[NH2+][C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001207169873 1034140505 /nfs/dbraw/zinc/14/05/05/1034140505.db2.gz XSVQGFYCJVNLMX-NLWGTHIKSA-N 2 2 375.557 3.932 20 0 GHADLP C[C@@H](CC[NH2+][C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001207169872 1034140766 /nfs/dbraw/zinc/14/07/66/1034140766.db2.gz XSVQGFYCJVNLMX-CMKODMSKSA-N 2 2 375.557 3.932 20 0 GHADLP C[C@@H](CC[NH2+][C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001207169872 1034140772 /nfs/dbraw/zinc/14/07/72/1034140772.db2.gz XSVQGFYCJVNLMX-CMKODMSKSA-N 2 2 375.557 3.932 20 0 GHADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2ccccc2O[C@@H](C)C(=O)OC)CC1 ZINC001207334975 1034284377 /nfs/dbraw/zinc/28/43/77/1034284377.db2.gz WHZMTWCFMMAPDH-IBGZPJMESA-N 2 2 388.552 3.857 20 0 GHADLP Cc1nc(Nc2ccc(C3CC[NH2+]CC3)cc2)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001159227787 1034495595 /nfs/dbraw/zinc/49/55/95/1034495595.db2.gz MUSHHQSZUSDJCF-HOTGVXAUSA-N 2 2 381.524 3.609 20 0 GHADLP CN(C)c1ccc2cc(C[N@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccc2c1 ZINC001231441178 1034590745 /nfs/dbraw/zinc/59/07/45/1034590745.db2.gz OWQLUKHDJPSKNQ-PSWAGMNNSA-N 2 2 386.543 3.865 20 0 GHADLP CN(C)c1ccc2cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccc2c1 ZINC001231441178 1034590750 /nfs/dbraw/zinc/59/07/50/1034590750.db2.gz OWQLUKHDJPSKNQ-PSWAGMNNSA-N 2 2 386.543 3.865 20 0 GHADLP CN(C)c1ccc2cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccnc5)C[C@@H]4C3)ccc2c1 ZINC001231441178 1034590758 /nfs/dbraw/zinc/59/07/58/1034590758.db2.gz OWQLUKHDJPSKNQ-PSWAGMNNSA-N 2 2 386.543 3.865 20 0 GHADLP CN(C)c1ccc2cc(C[NH+]3C[C@@H]4C[N@H+](Cc5cccnc5)C[C@@H]4C3)ccc2c1 ZINC001231441178 1034590770 /nfs/dbraw/zinc/59/07/70/1034590770.db2.gz OWQLUKHDJPSKNQ-PSWAGMNNSA-N 2 2 386.543 3.865 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159597975 1034685366 /nfs/dbraw/zinc/68/53/66/1034685366.db2.gz BGHZVHGBARUGNM-UHFFFAOYSA-N 2 2 381.520 3.738 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)ccc1OC(=O)C(C)C ZINC001231535397 1034690576 /nfs/dbraw/zinc/69/05/76/1034690576.db2.gz VTVZVYRZAYWPDO-SFHVURJKSA-N 2 2 384.476 3.613 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)ccc1OC(=O)C(C)C ZINC001231535397 1034690583 /nfs/dbraw/zinc/69/05/83/1034690583.db2.gz VTVZVYRZAYWPDO-SFHVURJKSA-N 2 2 384.476 3.613 20 0 GHADLP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)c1Cl ZINC001231660918 1034816601 /nfs/dbraw/zinc/81/66/01/1034816601.db2.gz MIEYSKLOWUENPS-AEFFLSMTSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)c1Cl ZINC001231660918 1034816609 /nfs/dbraw/zinc/81/66/09/1034816609.db2.gz MIEYSKLOWUENPS-AEFFLSMTSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)c1Cl ZINC001231660918 1034816616 /nfs/dbraw/zinc/81/66/16/1034816616.db2.gz MIEYSKLOWUENPS-AEFFLSMTSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)c1Cl ZINC001231660918 1034816622 /nfs/dbraw/zinc/81/66/22/1034816622.db2.gz MIEYSKLOWUENPS-AEFFLSMTSA-N 2 2 393.362 3.989 20 0 GHADLP CC(C)Cc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)cc1 ZINC001231787922 1034910023 /nfs/dbraw/zinc/91/00/23/1034910023.db2.gz OJNOOJJSHNYOFJ-UHFFFAOYSA-N 2 2 385.596 3.650 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@@H]1C(F)(F)F ZINC001232018371 1035046804 /nfs/dbraw/zinc/04/68/04/1035046804.db2.gz JPTVLEGVXOGKQN-HOCLYGCPSA-N 2 2 398.429 3.840 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@@H]1C(F)(F)F ZINC001232018371 1035046809 /nfs/dbraw/zinc/04/68/09/1035046809.db2.gz JPTVLEGVXOGKQN-HOCLYGCPSA-N 2 2 398.429 3.840 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3c[nH]c4c3cccc4Br)CC2)cc[nH+]1 ZINC001232021519 1035048939 /nfs/dbraw/zinc/04/89/39/1035048939.db2.gz FLWURLHAVCEWDR-UHFFFAOYSA-N 2 2 385.309 3.956 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)C2)cc1 ZINC001208935659 1035101754 /nfs/dbraw/zinc/10/17/54/1035101754.db2.gz KXACGNZGOCLATB-CCDWMCETSA-N 2 2 390.575 3.642 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)C2)cc1 ZINC001208935659 1035101758 /nfs/dbraw/zinc/10/17/58/1035101758.db2.gz KXACGNZGOCLATB-CCDWMCETSA-N 2 2 390.575 3.642 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)C2)cc1 ZINC001208935659 1035101764 /nfs/dbraw/zinc/10/17/64/1035101764.db2.gz KXACGNZGOCLATB-CCDWMCETSA-N 2 2 390.575 3.642 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)C2)cc1 ZINC001208935659 1035101767 /nfs/dbraw/zinc/10/17/67/1035101767.db2.gz KXACGNZGOCLATB-CCDWMCETSA-N 2 2 390.575 3.642 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208937067 1035105282 /nfs/dbraw/zinc/10/52/82/1035105282.db2.gz QYVIYIXZOAFCJL-FQEVSTJZSA-N 2 2 378.516 3.744 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208937067 1035105286 /nfs/dbraw/zinc/10/52/86/1035105286.db2.gz QYVIYIXZOAFCJL-FQEVSTJZSA-N 2 2 378.516 3.744 20 0 GHADLP COC(=O)c1ccc2c(c1)C[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208937067 1035105291 /nfs/dbraw/zinc/10/52/91/1035105291.db2.gz QYVIYIXZOAFCJL-FQEVSTJZSA-N 2 2 378.516 3.744 20 0 GHADLP COC(=O)c1ccc2c(c1)C[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208937067 1035105298 /nfs/dbraw/zinc/10/52/98/1035105298.db2.gz QYVIYIXZOAFCJL-FQEVSTJZSA-N 2 2 378.516 3.744 20 0 GHADLP C[C@H]1C[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001208952119 1035123490 /nfs/dbraw/zinc/12/34/90/1035123490.db2.gz CJAODZZEHHVLSP-IRFCIJBXSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@H]1C[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001208952119 1035123493 /nfs/dbraw/zinc/12/34/93/1035123493.db2.gz CJAODZZEHHVLSP-IRFCIJBXSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@H]1C[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001208952119 1035123497 /nfs/dbraw/zinc/12/34/97/1035123497.db2.gz CJAODZZEHHVLSP-IRFCIJBXSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@H]1C[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001208952119 1035123502 /nfs/dbraw/zinc/12/35/02/1035123502.db2.gz CJAODZZEHHVLSP-IRFCIJBXSA-N 2 2 387.568 3.838 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC001232147635 1035126176 /nfs/dbraw/zinc/12/61/76/1035126176.db2.gz QZCACWWVAWQQPH-UHFFFAOYSA-N 2 2 375.919 3.859 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC001232147635 1035126180 /nfs/dbraw/zinc/12/61/80/1035126180.db2.gz QZCACWWVAWQQPH-UHFFFAOYSA-N 2 2 375.919 3.859 20 0 GHADLP Fc1cccc2c(C[NH+]3C[C@@H]4C[N@H+](CC5CCCC5)CCO[C@@H]4C3)ccnc12 ZINC001232208184 1035162196 /nfs/dbraw/zinc/16/21/96/1035162196.db2.gz MOLDANQOSYCORA-SIKLNZKXSA-N 2 2 383.511 3.697 20 0 GHADLP Fc1cccc2c(C[N@@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)ccnc12 ZINC001232208184 1035162191 /nfs/dbraw/zinc/16/21/91/1035162191.db2.gz MOLDANQOSYCORA-SIKLNZKXSA-N 2 2 383.511 3.697 20 0 GHADLP Fc1cccc2c(C[N@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)ccnc12 ZINC001232208184 1035162194 /nfs/dbraw/zinc/16/21/94/1035162194.db2.gz MOLDANQOSYCORA-SIKLNZKXSA-N 2 2 383.511 3.697 20 0 GHADLP Fc1cccc2c(C[NH+]3C[C@@H]4C[N@@H+](CC5CCCC5)CCO[C@@H]4C3)ccnc12 ZINC001232208184 1035162200 /nfs/dbraw/zinc/16/22/00/1035162200.db2.gz MOLDANQOSYCORA-SIKLNZKXSA-N 2 2 383.511 3.697 20 0 GHADLP FC(F)(F)c1ccccc1CC[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001209278300 1035229031 /nfs/dbraw/zinc/22/90/31/1035229031.db2.gz UGNUKFYOEFOFGY-OALUTQOASA-N 2 2 375.438 3.707 20 0 GHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N[C@@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001161827123 1035310219 /nfs/dbraw/zinc/31/02/19/1035310219.db2.gz JNNMDSYAULZNOI-IRUYWQDXSA-N 2 2 383.467 3.868 20 0 GHADLP C[NH+]1CCC(Oc2cc[nH+]c(NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)c2)CC1 ZINC001161885971 1035322367 /nfs/dbraw/zinc/32/23/67/1035322367.db2.gz KCBCZDUYZAXGCP-FQEVSTJZSA-N 3 2 380.536 3.631 20 0 GHADLP C[NH+]1CCC(Oc2cc[nH+]c(NC[C@@H]3CCC[N@H+]3Cc3ccccc3)c2)CC1 ZINC001161885971 1035322369 /nfs/dbraw/zinc/32/23/69/1035322369.db2.gz KCBCZDUYZAXGCP-FQEVSTJZSA-N 3 2 380.536 3.631 20 0 GHADLP C[NH+]1CCN(C(=O)c2cccc(-c3ccc(C[NH+]4CCCCC4)c(F)c3)c2)CC1 ZINC001241879407 1035738884 /nfs/dbraw/zinc/73/88/84/1035738884.db2.gz KQHHSEMKBKTEDF-UHFFFAOYSA-N 2 2 395.522 3.866 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2)c2c1OC(F)(F)O2 ZINC001462018576 1069948672 /nfs/dbraw/zinc/94/86/72/1069948672.db2.gz KCJSLVFRGRFRCO-UHFFFAOYSA-N 2 2 384.373 3.980 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2)c2c1OC(F)(F)O2 ZINC001462018576 1069948673 /nfs/dbraw/zinc/94/86/73/1069948673.db2.gz KCJSLVFRGRFRCO-UHFFFAOYSA-N 2 2 384.373 3.980 20 0 GHADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3c(Cl)ccc(F)c3F)C2)C1 ZINC001278360059 1036061548 /nfs/dbraw/zinc/06/15/48/1036061548.db2.gz XPELOVYMQNVWBE-FQEVSTJZSA-N 2 2 385.930 3.858 20 0 GHADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3c(Cl)ccc(F)c3F)C2)C1 ZINC001278360059 1036061564 /nfs/dbraw/zinc/06/15/64/1036061564.db2.gz XPELOVYMQNVWBE-FQEVSTJZSA-N 2 2 385.930 3.858 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc(F)c(C(=O)N3CCCCC3)c2)C1 ZINC001243298288 1036105337 /nfs/dbraw/zinc/10/53/37/1036105337.db2.gz VSXMIBZLQKSZBV-IBGZPJMESA-N 2 2 381.495 3.652 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(F)c(C(=O)N3CCCCC3)c2)C1 ZINC001243298288 1036105345 /nfs/dbraw/zinc/10/53/45/1036105345.db2.gz VSXMIBZLQKSZBV-IBGZPJMESA-N 2 2 381.495 3.652 20 0 GHADLP C[N@@H+]1CC[C@H](c2ccc(-c3ccc(OCC[NH+]4CCOCC4)cc3F)cc2)C1 ZINC001244137728 1036393266 /nfs/dbraw/zinc/39/32/66/1036393266.db2.gz XQGDMNLZIKZIGM-FQEVSTJZSA-N 2 2 384.495 3.623 20 0 GHADLP C[N@H+]1CC[C@H](c2ccc(-c3ccc(OCC[NH+]4CCOCC4)cc3F)cc2)C1 ZINC001244137728 1036393273 /nfs/dbraw/zinc/39/32/73/1036393273.db2.gz XQGDMNLZIKZIGM-FQEVSTJZSA-N 2 2 384.495 3.623 20 0 GHADLP Fc1cc(OCC[NH+]2CCOCC2)ccc1-c1ccccc1C1CC[NH2+]CC1 ZINC001244138948 1036394039 /nfs/dbraw/zinc/39/40/39/1036394039.db2.gz XOOVMGDMLGSDPL-UHFFFAOYSA-N 2 2 384.495 3.671 20 0 GHADLP CCCC[C@@H](CC)COC[C@H](O)C[NH2+]C1(c2ccccc2F)CC[NH2+]CC1 ZINC001246009756 1037129426 /nfs/dbraw/zinc/12/94/26/1037129426.db2.gz ZBBYSUPMADLPKI-RTBURBONSA-N 2 2 380.548 3.588 20 0 GHADLP Oc1cc(F)c(C[NH+]2CCC3(C[NH+](CCCC(F)(F)F)C3)CC2)c(F)c1 ZINC001278431050 1037192832 /nfs/dbraw/zinc/19/28/32/1037192832.db2.gz SVMLIDQXLCDGBB-UHFFFAOYSA-N 2 2 378.385 3.911 20 0 GHADLP OC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1cc(Cl)cc(Cl)c1 ZINC001246276585 1037270547 /nfs/dbraw/zinc/27/05/47/1037270547.db2.gz CYNMHRZQDLLTDU-UFYCRDLUSA-N 2 2 379.331 3.980 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 ZINC001246308715 1037288465 /nfs/dbraw/zinc/28/84/65/1037288465.db2.gz OVMUPGMOCOXDRZ-APWZRJJASA-N 2 2 394.494 3.708 20 0 GHADLP [NH3+]C1(Cc2ccc(F)cc2)CC[NH+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246395099 1037353768 /nfs/dbraw/zinc/35/37/68/1037353768.db2.gz MNDYJRFFWHYWPR-DHIUTWEWSA-N 3 2 381.539 3.525 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH2+]C3(Cc4ccccc4)CC[NH2+]CC3)CC2)cc1 ZINC001246452315 1037412480 /nfs/dbraw/zinc/41/24/80/1037412480.db2.gz DQCITUCCWIJLFW-UHFFFAOYSA-N 3 2 377.576 3.648 20 0 GHADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](Cc3ccccc3)C1)CO2 ZINC001246503877 1037445373 /nfs/dbraw/zinc/44/53/73/1037445373.db2.gz MAUIXXDYKYTKCQ-LMMKCTJWSA-N 2 2 387.321 3.836 20 0 GHADLP CCOc1ccccc1N1CC[NH+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246531190 1037464402 /nfs/dbraw/zinc/46/44/02/1037464402.db2.gz CSWGUFUGPQQWKO-YADHBBJMSA-N 2 2 379.548 3.571 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246540930 1037473137 /nfs/dbraw/zinc/47/31/37/1037473137.db2.gz UDOMZURWJGPDLY-LNLFQRSKSA-N 2 2 378.488 3.953 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246540930 1037473153 /nfs/dbraw/zinc/47/31/53/1037473153.db2.gz UDOMZURWJGPDLY-LNLFQRSKSA-N 2 2 378.488 3.953 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@@H]([N@@H+]2CCO[C@]4(CCC[NH2+]C4)C2)CC3)cc1 ZINC001246625491 1037515170 /nfs/dbraw/zinc/51/51/70/1037515170.db2.gz WEKLQYZCGKOAMN-ZCYQVOJMSA-N 2 2 392.543 3.577 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@@H]([N@H+]2CCO[C@]4(CCC[NH2+]C4)C2)CC3)cc1 ZINC001246625491 1037515184 /nfs/dbraw/zinc/51/51/84/1037515184.db2.gz WEKLQYZCGKOAMN-ZCYQVOJMSA-N 2 2 392.543 3.577 20 0 GHADLP CCCCOC(=O)CC[C@H](C)[N@@H+]1CCc2ccc(OC)cc2C12CC[NH2+]CC2 ZINC001246634978 1037521776 /nfs/dbraw/zinc/52/17/76/1037521776.db2.gz IKWKUVIOJYXNEB-SFHVURJKSA-N 2 2 388.552 3.644 20 0 GHADLP CCCCOC(=O)CC[C@H](C)[N@H+]1CCc2ccc(OC)cc2C12CC[NH2+]CC2 ZINC001246634978 1037521792 /nfs/dbraw/zinc/52/17/92/1037521792.db2.gz IKWKUVIOJYXNEB-SFHVURJKSA-N 2 2 388.552 3.644 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCc3ncnc(OC(C)C)c3CC2)CC[NH2+]1 ZINC001246710344 1037561922 /nfs/dbraw/zinc/56/19/22/1037561922.db2.gz USRBJZPBVMDKJE-AVRDEDQJSA-N 2 2 398.526 3.605 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCc3ncnc(OC(C)C)c3CC2)CC[NH2+]1 ZINC001246710344 1037561931 /nfs/dbraw/zinc/56/19/31/1037561931.db2.gz USRBJZPBVMDKJE-AVRDEDQJSA-N 2 2 398.526 3.605 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+]([C@H]4CC[NH2+][C@H](C(C)(C)C)C4)CC3)C2)cc1 ZINC001246747577 1037588802 /nfs/dbraw/zinc/58/88/02/1037588802.db2.gz PFYOABROXJFGIT-GOTSBHOMSA-N 3 2 399.623 3.829 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@H]4CC[NH2+][C@H](C(C)(C)C)C4)CC3)C2)cc1 ZINC001246747577 1037588824 /nfs/dbraw/zinc/58/88/24/1037588824.db2.gz PFYOABROXJFGIT-GOTSBHOMSA-N 3 2 399.623 3.829 20 0 GHADLP Clc1ccccc1C[NH+]1CCN([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246783513 1037622917 /nfs/dbraw/zinc/62/29/17/1037622917.db2.gz ONIVAZVBXLYCID-VXKWHMMOSA-N 2 2 383.967 3.821 20 0 GHADLP Clc1ccccc1CN1CC[NH+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246783513 1037622931 /nfs/dbraw/zinc/62/29/31/1037622931.db2.gz ONIVAZVBXLYCID-VXKWHMMOSA-N 2 2 383.967 3.821 20 0 GHADLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246849530 1037673993 /nfs/dbraw/zinc/67/39/93/1037673993.db2.gz FVFNOOGGNAXSPM-ISJGIBHGSA-N 3 2 377.576 3.804 20 0 GHADLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246849530 1037673999 /nfs/dbraw/zinc/67/39/99/1037673999.db2.gz FVFNOOGGNAXSPM-ISJGIBHGSA-N 3 2 377.576 3.804 20 0 GHADLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246849530 1037674004 /nfs/dbraw/zinc/67/40/04/1037674004.db2.gz FVFNOOGGNAXSPM-ISJGIBHGSA-N 3 2 377.576 3.804 20 0 GHADLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246849530 1037674011 /nfs/dbraw/zinc/67/40/11/1037674011.db2.gz FVFNOOGGNAXSPM-ISJGIBHGSA-N 3 2 377.576 3.804 20 0 GHADLP CCOC(=O)C1(CC)CC[NH+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)CC1 ZINC001246909626 1037719540 /nfs/dbraw/zinc/71/95/40/1037719540.db2.gz FYBPMNLNBDPARF-UYAOXDASSA-N 2 2 376.516 3.983 20 0 GHADLP CCC[NH+](CCC)CCCN1CC[NH+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC001246950972 1037753548 /nfs/dbraw/zinc/75/35/48/1037753548.db2.gz XMVYNPHTMDQFDS-DNQXCXABSA-N 3 2 386.628 3.609 20 0 GHADLP COC(=O)[C@]12CC[NH2+][C@H]1C[N@@H+](C1CCC(c3ccc(Cl)cc3)CC1)CC2 ZINC001246992764 1037813465 /nfs/dbraw/zinc/81/34/65/1037813465.db2.gz YZEVMXQMJHQDAN-JBZVSFTFSA-N 2 2 376.928 3.593 20 0 GHADLP COC(=O)[C@]12CC[NH2+][C@H]1C[N@H+](C1CCC(c3ccc(Cl)cc3)CC1)CC2 ZINC001246992764 1037813483 /nfs/dbraw/zinc/81/34/83/1037813483.db2.gz YZEVMXQMJHQDAN-JBZVSFTFSA-N 2 2 376.928 3.593 20 0 GHADLP Clc1ccc(-c2noc([C@@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)c(Cl)c1 ZINC001247125879 1037936021 /nfs/dbraw/zinc/93/60/21/1037936021.db2.gz JIIWJOFFHOAGQT-ZDUSSCGKSA-N 2 2 390.274 3.659 20 0 GHADLP Cc1[nH]c(C[NH+]2CCC3(C[C@@H](CC(=O)NCC4CC4)c4ccccc43)CC2)c[nH+]1 ZINC001232461151 1038247084 /nfs/dbraw/zinc/24/70/84/1038247084.db2.gz XNSDRFXWUBCPEP-LJQANCHMSA-N 2 2 392.547 3.656 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3ccccc3OCc3ccccc3)no2)cc1 ZINC001247698373 1038337068 /nfs/dbraw/zinc/33/70/68/1038337068.db2.gz GQNHWCOLNVLVBV-FQEVSTJZSA-N 2 2 386.455 3.941 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cccc(NC(=O)OC(C)(C)C)n2)C1 ZINC001232604522 1038384058 /nfs/dbraw/zinc/38/40/58/1038384058.db2.gz GBUIHAGBAXMLKX-KRWDZBQOSA-N 2 2 384.480 3.785 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cccc(NC(=O)OC(C)(C)C)n2)C1 ZINC001232604522 1038384071 /nfs/dbraw/zinc/38/40/71/1038384071.db2.gz GBUIHAGBAXMLKX-KRWDZBQOSA-N 2 2 384.480 3.785 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1ccc3ccsc3c1)CCC2 ZINC001232613290 1038399006 /nfs/dbraw/zinc/39/90/06/1038399006.db2.gz MLNMYLBCKPJPBZ-UHFFFAOYSA-N 2 2 396.560 3.704 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1ccc3ccsc3c1)CCC2 ZINC001232613290 1038399017 /nfs/dbraw/zinc/39/90/17/1038399017.db2.gz MLNMYLBCKPJPBZ-UHFFFAOYSA-N 2 2 396.560 3.704 20 0 GHADLP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1ccc3ccsc3c1)CCC2 ZINC001232613290 1038399030 /nfs/dbraw/zinc/39/90/30/1038399030.db2.gz MLNMYLBCKPJPBZ-UHFFFAOYSA-N 2 2 396.560 3.704 20 0 GHADLP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](Cc1ccc3ccsc3c1)CCC2 ZINC001232613290 1038399044 /nfs/dbraw/zinc/39/90/44/1038399044.db2.gz MLNMYLBCKPJPBZ-UHFFFAOYSA-N 2 2 396.560 3.704 20 0 GHADLP C[C@@H](C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[NH+]1CCCCCC1 ZINC001252383970 1038968872 /nfs/dbraw/zinc/96/88/72/1038968872.db2.gz QAFVPIRIOQOJLA-KRWDZBQOSA-N 2 2 383.540 3.752 20 0 GHADLP C[C@@H](C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[NH+]1CCCCCC1 ZINC001252383970 1038968879 /nfs/dbraw/zinc/96/88/79/1038968879.db2.gz QAFVPIRIOQOJLA-KRWDZBQOSA-N 2 2 383.540 3.752 20 0 GHADLP COCOc1cccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)c1 ZINC001233279372 1039051074 /nfs/dbraw/zinc/05/10/74/1039051074.db2.gz BSUOBZJZYSARIJ-UHFFFAOYSA-N 2 2 399.535 3.905 20 0 GHADLP COCOc1cccc(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)c1 ZINC001233279372 1039051093 /nfs/dbraw/zinc/05/10/93/1039051093.db2.gz BSUOBZJZYSARIJ-UHFFFAOYSA-N 2 2 399.535 3.905 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)o1)CC2 ZINC001233314946 1039107785 /nfs/dbraw/zinc/10/77/85/1039107785.db2.gz RRSJJSWZTVXYRN-QGZVFWFLSA-N 2 2 375.900 3.584 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)o1)CC2 ZINC001233314946 1039107799 /nfs/dbraw/zinc/10/77/99/1039107799.db2.gz RRSJJSWZTVXYRN-QGZVFWFLSA-N 2 2 375.900 3.584 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2cnc3c(Br)cccn23)C2CCCC2)CC1 ZINC001233473524 1039365610 /nfs/dbraw/zinc/36/56/10/1039365610.db2.gz NGKLBMSVYQZHSH-UHFFFAOYSA-N 2 2 391.357 3.936 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2cnc3c(Br)cccn23)C2CCCC2)CC1 ZINC001233473524 1039365622 /nfs/dbraw/zinc/36/56/22/1039365622.db2.gz NGKLBMSVYQZHSH-UHFFFAOYSA-N 2 2 391.357 3.936 20 0 GHADLP CC[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234074932 1039810892 /nfs/dbraw/zinc/81/08/92/1039810892.db2.gz DDMOGHAZFXOQQQ-UHFFFAOYSA-N 2 2 388.512 3.570 20 0 GHADLP CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234074932 1039810920 /nfs/dbraw/zinc/81/09/20/1039810920.db2.gz DDMOGHAZFXOQQQ-UHFFFAOYSA-N 2 2 388.512 3.570 20 0 GHADLP CCOC(=O)C1(C(C)C)CC[NH+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)CC1 ZINC001234085312 1039824251 /nfs/dbraw/zinc/82/42/51/1039824251.db2.gz QKNWHYAPEFFXNB-UHFFFAOYSA-N 2 2 385.508 3.682 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@H](Oc3cc(C)ccn3)C2)ccc1-n1cc[nH+]c1 ZINC001234085749 1039824723 /nfs/dbraw/zinc/82/47/23/1039824723.db2.gz WINUDJFZQRDPBS-IBGZPJMESA-N 2 2 378.476 3.628 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@H](Oc3cc(C)ccn3)C2)ccc1-n1cc[nH+]c1 ZINC001234085749 1039824750 /nfs/dbraw/zinc/82/47/50/1039824750.db2.gz WINUDJFZQRDPBS-IBGZPJMESA-N 2 2 378.476 3.628 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@H](Oc3cccc(C)n3)C2)ccc1-n1cc[nH+]c1 ZINC001234085100 1039824852 /nfs/dbraw/zinc/82/48/52/1039824852.db2.gz MHZPWEGWFHDNEY-IBGZPJMESA-N 2 2 378.476 3.628 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@H](Oc3cccc(C)n3)C2)ccc1-n1cc[nH+]c1 ZINC001234085100 1039824870 /nfs/dbraw/zinc/82/48/70/1039824870.db2.gz MHZPWEGWFHDNEY-IBGZPJMESA-N 2 2 378.476 3.628 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3c(Cl)nccc3N(C)C)CC2)c2ccccc2[nH+]1 ZINC001234104206 1039845793 /nfs/dbraw/zinc/84/57/93/1039845793.db2.gz NUNXROSHLJRHID-UHFFFAOYSA-N 2 2 395.938 3.980 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)C1 ZINC001254194073 1040043392 /nfs/dbraw/zinc/04/33/92/1040043392.db2.gz SDEZIIHMGHHGLB-LJQANCHMSA-N 2 2 391.531 3.865 20 0 GHADLP CCOC(OCC)c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC001234875225 1040389433 /nfs/dbraw/zinc/38/94/33/1040389433.db2.gz MBBOBCDDRAFHBU-FGZHOGPDSA-N 2 2 395.547 3.717 20 0 GHADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC001254624619 1040398905 /nfs/dbraw/zinc/39/89/05/1040398905.db2.gz TYMYFDLMYOXNID-QFIPXVFZSA-N 2 2 395.551 3.532 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1cccc(OC(F)F)c1)CC2 ZINC001235020547 1040512730 /nfs/dbraw/zinc/51/27/30/1040512730.db2.gz SZWJUEIJLUKYGQ-UHFFFAOYSA-N 2 2 388.458 3.934 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1cccc(OC(F)F)c1)CC2 ZINC001235020547 1040512744 /nfs/dbraw/zinc/51/27/44/1040512744.db2.gz SZWJUEIJLUKYGQ-UHFFFAOYSA-N 2 2 388.458 3.934 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1ccc(OC(F)F)cc1)CC2 ZINC001235020723 1040513263 /nfs/dbraw/zinc/51/32/63/1040513263.db2.gz XGWMWNLOPFDRTG-UHFFFAOYSA-N 2 2 388.458 3.934 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1ccc(OC(F)F)cc1)CC2 ZINC001235020723 1040513281 /nfs/dbraw/zinc/51/32/81/1040513281.db2.gz XGWMWNLOPFDRTG-UHFFFAOYSA-N 2 2 388.458 3.934 20 0 GHADLP Brc1cc(C[N@@H+]2CCC3(C2)CCOCC3)ccc1-n1cc[nH+]c1 ZINC001235026502 1040517465 /nfs/dbraw/zinc/51/74/65/1040517465.db2.gz CESUJUGLYJXVNE-UHFFFAOYSA-N 2 2 376.298 3.637 20 0 GHADLP Brc1cc(C[N@H+]2CCC3(C2)CCOCC3)ccc1-n1cc[nH+]c1 ZINC001235026502 1040517485 /nfs/dbraw/zinc/51/74/85/1040517485.db2.gz CESUJUGLYJXVNE-UHFFFAOYSA-N 2 2 376.298 3.637 20 0 GHADLP C[C@@]1(CO)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC1 ZINC001235027908 1040520537 /nfs/dbraw/zinc/52/05/37/1040520537.db2.gz OLSSCTPPQLKGGB-GOSISDBHSA-N 2 2 378.314 3.619 20 0 GHADLP C[C@@]1(CO)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC1 ZINC001235027908 1040520558 /nfs/dbraw/zinc/52/05/58/1040520558.db2.gz OLSSCTPPQLKGGB-GOSISDBHSA-N 2 2 378.314 3.619 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)C[C@@H]2c2ccccc21 ZINC001254855588 1040601455 /nfs/dbraw/zinc/60/14/55/1040601455.db2.gz OQXZNCHYCMVXAF-DYXWJJEUSA-N 2 2 397.563 3.941 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2C[N@H+]([C@H]3CC4CC[NH+](CC4)C3)C[C@@H]2c2ccccc21 ZINC001254855588 1040601461 /nfs/dbraw/zinc/60/14/61/1040601461.db2.gz OQXZNCHYCMVXAF-DYXWJJEUSA-N 2 2 397.563 3.941 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001254887649 1040638958 /nfs/dbraw/zinc/63/89/58/1040638958.db2.gz SVLZUEGQBQHWJZ-BWTSREIZSA-N 2 2 382.508 3.607 20 0 GHADLP c1ccc([C@H]2C[NH2+]C[C@]23CCC[N@H+]3Cc2ccc(Oc3ncccn3)cc2)cc1 ZINC001235249491 1040730396 /nfs/dbraw/zinc/73/03/96/1040730396.db2.gz QESDBZVOJYSOIX-ISKFKSNPSA-N 2 2 386.499 3.991 20 0 GHADLP c1ccc([C@H]2C[NH2+]C[C@]23CCC[N@@H+]3Cc2ccc(Oc3ncccn3)cc2)cc1 ZINC001235249491 1040730414 /nfs/dbraw/zinc/73/04/14/1040730414.db2.gz QESDBZVOJYSOIX-ISKFKSNPSA-N 2 2 386.499 3.991 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccnc(OC4CCC4)n2)C3)cc1 ZINC001255134288 1040834172 /nfs/dbraw/zinc/83/41/72/1040834172.db2.gz ZSXVTULFXOVWJS-WKCHPHFGSA-N 2 2 378.520 3.693 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccnc(OC4CCC4)n2)C3)cc1 ZINC001255134288 1040834174 /nfs/dbraw/zinc/83/41/74/1040834174.db2.gz ZSXVTULFXOVWJS-WKCHPHFGSA-N 2 2 378.520 3.693 20 0 GHADLP Cc1cnc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)s1 ZINC001255146026 1040860852 /nfs/dbraw/zinc/86/08/52/1040860852.db2.gz ZFNXCFAUESVPDJ-AERCQKQUSA-N 2 2 382.577 3.769 20 0 GHADLP Cc1cnc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)s1 ZINC001255146026 1040860857 /nfs/dbraw/zinc/86/08/57/1040860857.db2.gz ZFNXCFAUESVPDJ-AERCQKQUSA-N 2 2 382.577 3.769 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001255380377 1040971317 /nfs/dbraw/zinc/97/13/17/1040971317.db2.gz RMMWWHRZPMQSIO-FXAWDEMLSA-N 2 2 376.516 3.844 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001255380377 1040971318 /nfs/dbraw/zinc/97/13/18/1040971318.db2.gz RMMWWHRZPMQSIO-FXAWDEMLSA-N 2 2 376.516 3.844 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255403457 1040990571 /nfs/dbraw/zinc/99/05/71/1040990571.db2.gz SDLYFPGWCAVNJU-JOCHJYFZSA-N 3 2 378.564 3.984 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255403457 1040990581 /nfs/dbraw/zinc/99/05/81/1040990581.db2.gz SDLYFPGWCAVNJU-JOCHJYFZSA-N 3 2 378.564 3.984 20 0 GHADLP Fc1cccc(CN2CC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255403870 1040990591 /nfs/dbraw/zinc/99/05/91/1040990591.db2.gz QNSHEMNLWMIHCT-DEOSSOPVSA-N 2 2 381.539 3.998 20 0 GHADLP Fc1cccc(CN2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255403870 1040990593 /nfs/dbraw/zinc/99/05/93/1040990593.db2.gz QNSHEMNLWMIHCT-DEOSSOPVSA-N 2 2 381.539 3.998 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001255610751 1041166562 /nfs/dbraw/zinc/16/65/62/1041166562.db2.gz GVDIJHVHRBJYDA-FQEVSTJZSA-N 2 2 391.531 3.731 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001255610751 1041166568 /nfs/dbraw/zinc/16/65/68/1041166568.db2.gz GVDIJHVHRBJYDA-FQEVSTJZSA-N 2 2 391.531 3.731 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@H](C)CSc3ccc(F)cc3)CC2)C1 ZINC001255747042 1041267273 /nfs/dbraw/zinc/26/72/73/1041267273.db2.gz ICYYLXKAICADJH-SJORKVTESA-N 2 2 394.556 3.656 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H](C)CSc3ccc(F)cc3)CC2)C1 ZINC001255747042 1041267287 /nfs/dbraw/zinc/26/72/87/1041267287.db2.gz ICYYLXKAICADJH-SJORKVTESA-N 2 2 394.556 3.656 20 0 GHADLP COCCC[N@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)[C@H]1CCC[NH2+]C1 ZINC001235807201 1041315925 /nfs/dbraw/zinc/31/59/25/1041315925.db2.gz MCDJTAFXVIOQAP-QFIPXVFZSA-N 2 2 386.511 3.995 20 0 GHADLP COCCC[N@@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)[C@H]1CCC[NH2+]C1 ZINC001235807201 1041315939 /nfs/dbraw/zinc/31/59/39/1041315939.db2.gz MCDJTAFXVIOQAP-QFIPXVFZSA-N 2 2 386.511 3.995 20 0 GHADLP CC1([NH+]2CCN(Cc3ccc(F)c(Oc4ccccc4)c3)CC2)CC[NH2+]CC1 ZINC001235822733 1041341549 /nfs/dbraw/zinc/34/15/49/1041341549.db2.gz RDECBDBTEGFQKM-UHFFFAOYSA-N 2 2 383.511 3.878 20 0 GHADLP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235935752 1041438795 /nfs/dbraw/zinc/43/87/95/1041438795.db2.gz FBCJHTNSGRULTF-WDEREUQCSA-N 2 2 382.348 3.774 20 0 GHADLP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235935752 1041438815 /nfs/dbraw/zinc/43/88/15/1041438815.db2.gz FBCJHTNSGRULTF-WDEREUQCSA-N 2 2 382.348 3.774 20 0 GHADLP COCC[N@H+](Cc1c(C)nc2ccc(-c3ccccc3)cn21)C1CC[NH2+]CC1 ZINC001235944397 1041449832 /nfs/dbraw/zinc/44/98/32/1041449832.db2.gz NIMQGFGWQYRFHC-UHFFFAOYSA-N 2 2 378.520 3.510 20 0 GHADLP COCC[N@@H+](Cc1c(C)nc2ccc(-c3ccccc3)cn21)C1CC[NH2+]CC1 ZINC001235944397 1041449848 /nfs/dbraw/zinc/44/98/48/1041449848.db2.gz NIMQGFGWQYRFHC-UHFFFAOYSA-N 2 2 378.520 3.510 20 0 GHADLP Fc1ccc([C@H]2C[N@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)CCO2)cc1F ZINC001236069820 1041521425 /nfs/dbraw/zinc/52/14/25/1041521425.db2.gz GNTPTUUUYFRMME-OAQYLSRUSA-N 2 2 383.442 3.596 20 0 GHADLP Fc1ccc([C@H]2C[N@@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)CCO2)cc1F ZINC001236069820 1041521429 /nfs/dbraw/zinc/52/14/29/1041521429.db2.gz GNTPTUUUYFRMME-OAQYLSRUSA-N 2 2 383.442 3.596 20 0 GHADLP CC(=O)Nc1snc([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1-c1ccccc1 ZINC001256216174 1041654758 /nfs/dbraw/zinc/65/47/58/1041654758.db2.gz UXZKSVWGWKSLRJ-QGZVFWFLSA-N 2 2 384.549 3.652 20 0 GHADLP CC(=O)Nc1snc([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1-c1ccccc1 ZINC001256216174 1041654761 /nfs/dbraw/zinc/65/47/61/1041654761.db2.gz UXZKSVWGWKSLRJ-QGZVFWFLSA-N 2 2 384.549 3.652 20 0 GHADLP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])[C@H](C(F)(F)F)C3)cc2)cc1 ZINC001236356967 1041681357 /nfs/dbraw/zinc/68/13/57/1041681357.db2.gz LEDBZBCDHVNUIU-MOPGFXCFSA-N 2 2 392.421 3.852 20 0 GHADLP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])[C@H](C(F)(F)F)C3)cc2)cc1 ZINC001236356967 1041681360 /nfs/dbraw/zinc/68/13/60/1041681360.db2.gz LEDBZBCDHVNUIU-MOPGFXCFSA-N 2 2 392.421 3.852 20 0 GHADLP Clc1ccccc1C[N@H+](Cc1cccc(-n2cncn2)c1)C1CC[NH2+]CC1 ZINC001236452225 1041718360 /nfs/dbraw/zinc/71/83/60/1041718360.db2.gz DSDBYHGSBLFRGS-UHFFFAOYSA-N 2 2 381.911 3.675 20 0 GHADLP Clc1ccccc1C[N@@H+](Cc1cccc(-n2cncn2)c1)C1CC[NH2+]CC1 ZINC001236452225 1041718368 /nfs/dbraw/zinc/71/83/68/1041718368.db2.gz DSDBYHGSBLFRGS-UHFFFAOYSA-N 2 2 381.911 3.675 20 0 GHADLP C[C@H](Cc1ccccn1)n1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC001256404499 1041720660 /nfs/dbraw/zinc/72/06/60/1041720660.db2.gz DVOBQSQUOMKNDK-HXOBKFHXSA-N 2 2 399.498 3.744 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001236604009 1041776499 /nfs/dbraw/zinc/77/64/99/1041776499.db2.gz GPTOSXYJKDHKQT-DAXOMENPSA-N 2 2 378.385 3.570 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001236604009 1041776502 /nfs/dbraw/zinc/77/65/02/1041776502.db2.gz GPTOSXYJKDHKQT-DAXOMENPSA-N 2 2 378.385 3.570 20 0 GHADLP Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)n1 ZINC001236634128 1041795951 /nfs/dbraw/zinc/79/59/51/1041795951.db2.gz XZPRGUUBWGHKJA-LJQANCHMSA-N 2 2 389.927 3.892 20 0 GHADLP Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)n1 ZINC001236634128 1041795957 /nfs/dbraw/zinc/79/59/57/1041795957.db2.gz XZPRGUUBWGHKJA-LJQANCHMSA-N 2 2 389.927 3.892 20 0 GHADLP COc1cc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cc(Br)c1OC ZINC001236648329 1041802439 /nfs/dbraw/zinc/80/24/39/1041802439.db2.gz PRYJIRZZUCDVNJ-INIZCTEOSA-N 2 2 397.357 3.963 20 0 GHADLP COc1cc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cc(Br)c1OC ZINC001236648329 1041802448 /nfs/dbraw/zinc/80/24/48/1041802448.db2.gz PRYJIRZZUCDVNJ-INIZCTEOSA-N 2 2 397.357 3.963 20 0 GHADLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(OC(F)F)cc3F)C2)C1 ZINC001236716548 1041851850 /nfs/dbraw/zinc/85/18/50/1041851850.db2.gz ASHOIXXGMGWTTR-DYESRHJHSA-N 2 2 398.469 3.607 20 0 GHADLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(OC(F)F)cc3F)C2)C1 ZINC001236716548 1041851853 /nfs/dbraw/zinc/85/18/53/1041851853.db2.gz ASHOIXXGMGWTTR-DYESRHJHSA-N 2 2 398.469 3.607 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(OC(F)F)cc3F)C2)C1 ZINC001236716548 1041851855 /nfs/dbraw/zinc/85/18/55/1041851855.db2.gz ASHOIXXGMGWTTR-DYESRHJHSA-N 2 2 398.469 3.607 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(OC(F)F)cc3F)C2)C1 ZINC001236716548 1041851859 /nfs/dbraw/zinc/85/18/59/1041851859.db2.gz ASHOIXXGMGWTTR-DYESRHJHSA-N 2 2 398.469 3.607 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC(F)F)cc1F)C2 ZINC001236717186 1041852935 /nfs/dbraw/zinc/85/29/35/1041852935.db2.gz FFGHLOAPSTTXIZ-UTKZUKDTSA-N 2 2 398.469 3.607 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC(F)F)cc1F)C2 ZINC001236717186 1041852940 /nfs/dbraw/zinc/85/29/40/1041852940.db2.gz FFGHLOAPSTTXIZ-UTKZUKDTSA-N 2 2 398.469 3.607 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OC(F)F)cc1F)C2 ZINC001236717186 1041852946 /nfs/dbraw/zinc/85/29/46/1041852946.db2.gz FFGHLOAPSTTXIZ-UTKZUKDTSA-N 2 2 398.469 3.607 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OC(F)F)cc1F)C2 ZINC001236717186 1041852952 /nfs/dbraw/zinc/85/29/52/1041852952.db2.gz FFGHLOAPSTTXIZ-UTKZUKDTSA-N 2 2 398.469 3.607 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236830575 1041920607 /nfs/dbraw/zinc/92/06/07/1041920607.db2.gz NXHDQNGFXGZPNK-NVBFEUDRSA-N 2 2 396.318 3.821 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236830575 1041920608 /nfs/dbraw/zinc/92/06/08/1041920608.db2.gz NXHDQNGFXGZPNK-NVBFEUDRSA-N 2 2 396.318 3.821 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(F)c4ccoc43)CC2)C1 ZINC001236897487 1041944748 /nfs/dbraw/zinc/94/47/48/1041944748.db2.gz TVDUFJHTBAMQNU-QGZVFWFLSA-N 2 2 388.483 3.811 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(F)c4ccoc43)CC2)C1 ZINC001236897487 1041944749 /nfs/dbraw/zinc/94/47/49/1041944749.db2.gz TVDUFJHTBAMQNU-QGZVFWFLSA-N 2 2 388.483 3.811 20 0 GHADLP CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236905860 1041949289 /nfs/dbraw/zinc/94/92/89/1041949289.db2.gz QOYYIAZNBYDCFW-OAQYLSRUSA-N 2 2 386.927 3.893 20 0 GHADLP CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236905860 1041949290 /nfs/dbraw/zinc/94/92/90/1041949290.db2.gz QOYYIAZNBYDCFW-OAQYLSRUSA-N 2 2 386.927 3.893 20 0 GHADLP COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)n1 ZINC001236908998 1041951584 /nfs/dbraw/zinc/95/15/84/1041951584.db2.gz LMDSGIOJXISFAM-QGZVFWFLSA-N 2 2 398.894 3.973 20 0 GHADLP COc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)n1 ZINC001236908998 1041951585 /nfs/dbraw/zinc/95/15/85/1041951585.db2.gz LMDSGIOJXISFAM-QGZVFWFLSA-N 2 2 398.894 3.973 20 0 GHADLP COC1CC[NH+](C2CCN(Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC2)CC1 ZINC001236909559 1041952488 /nfs/dbraw/zinc/95/24/88/1041952488.db2.gz OQIDFZANCCZGKM-UHFFFAOYSA-N 2 2 388.943 3.601 20 0 GHADLP CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236915018 1041955740 /nfs/dbraw/zinc/95/57/40/1041955740.db2.gz YDEUZLMGDHKUPH-LJQANCHMSA-N 2 2 388.943 3.601 20 0 GHADLP CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236915018 1041955743 /nfs/dbraw/zinc/95/57/43/1041955743.db2.gz YDEUZLMGDHKUPH-LJQANCHMSA-N 2 2 388.943 3.601 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1CN1CC2(C1)CC[N@H+](Cc1cccnc1)C2 ZINC001236917898 1041957240 /nfs/dbraw/zinc/95/72/40/1041957240.db2.gz MGBYUPMCHCGREA-UHFFFAOYSA-N 2 2 393.922 3.629 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1CN1CC2(C1)CC[N@@H+](Cc1cccnc1)C2 ZINC001236917898 1041957243 /nfs/dbraw/zinc/95/72/43/1041957243.db2.gz MGBYUPMCHCGREA-UHFFFAOYSA-N 2 2 393.922 3.629 20 0 GHADLP COCCC[N@H+](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)[C@@H]1CC[NH2+]C1 ZINC001236945460 1041966993 /nfs/dbraw/zinc/96/69/93/1041966993.db2.gz FYPOBDOGHYBQRB-OAQYLSRUSA-N 2 2 393.531 3.947 20 0 GHADLP COCCC[N@@H+](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)[C@@H]1CC[NH2+]C1 ZINC001236945460 1041966994 /nfs/dbraw/zinc/96/69/94/1041966994.db2.gz FYPOBDOGHYBQRB-OAQYLSRUSA-N 2 2 393.531 3.947 20 0 GHADLP Cc1cccc(-c2ccc(C[NH+]3CCC4(CC(N(C)C)=[NH+]O4)CC3)cn2)c1C ZINC001236984874 1041978643 /nfs/dbraw/zinc/97/86/43/1041978643.db2.gz SFNHXRGVUROWEH-UHFFFAOYSA-N 2 2 378.520 3.995 20 0 GHADLP FC(F)(F)[C@H]1C[N@H+](Cc2ccccc2)CCN1CC1CC2(C1)CC[NH2+]CC2 ZINC001237016259 1041991605 /nfs/dbraw/zinc/99/16/05/1041991605.db2.gz QIFZYEWAOHBOKK-LJQANCHMSA-N 2 2 381.486 3.515 20 0 GHADLP FC(F)(F)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC1CC2(C1)CC[NH2+]CC2 ZINC001237016259 1041991609 /nfs/dbraw/zinc/99/16/09/1041991609.db2.gz QIFZYEWAOHBOKK-LJQANCHMSA-N 2 2 381.486 3.515 20 0 GHADLP COc1cccc2c(C[NH+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@H]4C3)ccnc12 ZINC001237106509 1042040541 /nfs/dbraw/zinc/04/05/41/1042040541.db2.gz SPGRBDPGUJQAFH-QZTJIDSGSA-N 2 2 379.529 3.869 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCN(c2ccc(F)c(Cl)c2Cl)CC1 ZINC001237192031 1042087146 /nfs/dbraw/zinc/08/71/46/1042087146.db2.gz RSCWXUMYMUKVJX-RYUDHWBXSA-N 2 2 396.284 3.745 20 0 GHADLP Oc1ccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1OC(F)(F)F ZINC001237288147 1042125775 /nfs/dbraw/zinc/12/57/75/1042125775.db2.gz CLZJTPKCFDBGJU-UHFFFAOYSA-N 2 2 392.421 3.928 20 0 GHADLP Clc1ccc(CCC[N@H+]2C[C@H]3CC[C@@H](C2)N3CCn2cc[nH+]c2)cc1Cl ZINC001278123432 1042292200 /nfs/dbraw/zinc/29/22/00/1042292200.db2.gz UDMMJNZCLNQJPJ-HDICACEKSA-N 2 2 393.362 3.971 20 0 GHADLP Clc1ccc(CCC[N@@H+]2C[C@H]3CC[C@@H](C2)N3CCn2cc[nH+]c2)cc1Cl ZINC001278123432 1042292208 /nfs/dbraw/zinc/29/22/08/1042292208.db2.gz UDMMJNZCLNQJPJ-HDICACEKSA-N 2 2 393.362 3.971 20 0 GHADLP COc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c(C(F)(F)F)c1OC ZINC001237767212 1042359830 /nfs/dbraw/zinc/35/98/30/1042359830.db2.gz IGSXWNZHMJLYRP-UHFFFAOYSA-N 2 2 395.425 3.748 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4cccc(-c5ccccn5)n4)C[C@@H]3C2)c1 ZINC001237833244 1042392751 /nfs/dbraw/zinc/39/27/51/1042392751.db2.gz LUCPVWCVLJGYFX-QZTJIDSGSA-N 2 2 376.529 3.769 20 0 GHADLP CCOCc1ncn2c1C[N@H+](Cc1ccc3c(c1)C(C(C)C)=[NH+]CC3)CCC2 ZINC001237876164 1042404860 /nfs/dbraw/zinc/40/48/60/1042404860.db2.gz DZZXOTULSTXNGK-UHFFFAOYSA-N 2 2 380.536 3.827 20 0 GHADLP CCOCc1ncn2c1C[N@@H+](Cc1ccc3c(c1)C(C(C)C)=[NH+]CC3)CCC2 ZINC001237876164 1042404862 /nfs/dbraw/zinc/40/48/62/1042404862.db2.gz DZZXOTULSTXNGK-UHFFFAOYSA-N 2 2 380.536 3.827 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4Oc4cnccn4)C[C@@H]3C2)cc1 ZINC001238013311 1042459301 /nfs/dbraw/zinc/45/93/01/1042459301.db2.gz ILZFYRAJEJSSOU-VXKWHMMOSA-N 2 2 386.499 3.833 20 0 GHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(=O)N3CCCCc4ccccc43)CC2)C1 ZINC001462633044 1070430138 /nfs/dbraw/zinc/43/01/38/1070430138.db2.gz ZKXMFDRCDBEDBY-DENIHFKCSA-N 2 2 383.580 3.989 20 0 GHADLP Fc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1-c1ccncc1 ZINC001238559912 1042640318 /nfs/dbraw/zinc/64/03/18/1042640318.db2.gz HXTYSWKXFUGEAV-FGZHOGPDSA-N 2 2 388.490 3.847 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)cc(SC)c3)CC2)C1 ZINC001238687849 1042684983 /nfs/dbraw/zinc/68/49/83/1042684983.db2.gz GZIVWWSATNLMGM-GOSISDBHSA-N 2 2 376.566 3.566 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)cc(SC)c3)CC2)C1 ZINC001238687849 1042684985 /nfs/dbraw/zinc/68/49/85/1042684985.db2.gz GZIVWWSATNLMGM-GOSISDBHSA-N 2 2 376.566 3.566 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(C(=O)NCc4ccccc4)cc3)cc2)C1 ZINC001239910025 1042860962 /nfs/dbraw/zinc/86/09/62/1042860962.db2.gz IMKGCAABZVERHY-XMMPIXPASA-N 2 2 385.511 3.817 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(=O)NCc4ccccc4)cc3)cc2)C1 ZINC001239910025 1042860966 /nfs/dbraw/zinc/86/09/66/1042860966.db2.gz IMKGCAABZVERHY-XMMPIXPASA-N 2 2 385.511 3.817 20 0 GHADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3ccc(F)c(Cl)c3F)C2)C1 ZINC001278308432 1042894877 /nfs/dbraw/zinc/89/48/77/1042894877.db2.gz NDICYQADQHTKJB-FQEVSTJZSA-N 2 2 385.930 3.858 20 0 GHADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3ccc(F)c(Cl)c3F)C2)C1 ZINC001278308432 1042894879 /nfs/dbraw/zinc/89/48/79/1042894879.db2.gz NDICYQADQHTKJB-FQEVSTJZSA-N 2 2 385.930 3.858 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)[nH+]c1 ZINC001256491760 1043428849 /nfs/dbraw/zinc/42/88/49/1043428849.db2.gz XUXBXCBDEJBFGT-MJGOQNOKSA-N 2 2 388.556 3.736 20 0 GHADLP COc1ccccc1C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256531437 1043464013 /nfs/dbraw/zinc/46/40/13/1043464013.db2.gz HURATLCSJKZPMJ-HUVFLSCGSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccccc1C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256531437 1043464037 /nfs/dbraw/zinc/46/40/37/1043464037.db2.gz HURATLCSJKZPMJ-HUVFLSCGSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccccc1C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256531437 1043464058 /nfs/dbraw/zinc/46/40/58/1043464058.db2.gz HURATLCSJKZPMJ-HUVFLSCGSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccccc1C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256531437 1043464083 /nfs/dbraw/zinc/46/40/83/1043464083.db2.gz HURATLCSJKZPMJ-HUVFLSCGSA-N 2 2 393.575 3.912 20 0 GHADLP Cc1noc([C@H]2C[C@@H]3CC[NH+]([C@H]4CC[N@H+](Cc5ccccc5)[C@@H](C)C4)C[C@H]3O2)n1 ZINC001256544684 1043500161 /nfs/dbraw/zinc/50/01/61/1043500161.db2.gz NNWYXEWKZCOYJR-XXGVUKKKSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@H]2C[C@@H]3CC[NH+]([C@H]4CC[N@@H+](Cc5ccccc5)[C@@H](C)C4)C[C@H]3O2)n1 ZINC001256544684 1043500179 /nfs/dbraw/zinc/50/01/79/1043500179.db2.gz NNWYXEWKZCOYJR-XXGVUKKKSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@H]2C[C@@H]3CC[N@@H+]([C@H]4CC[NH+](Cc5ccccc5)[C@@H](C)C4)C[C@H]3O2)n1 ZINC001256544684 1043500197 /nfs/dbraw/zinc/50/01/97/1043500197.db2.gz NNWYXEWKZCOYJR-XXGVUKKKSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@H]2C[C@@H]3CC[N@H+]([C@H]4CC[NH+](Cc5ccccc5)[C@@H](C)C4)C[C@H]3O2)n1 ZINC001256544684 1043500218 /nfs/dbraw/zinc/50/02/18/1043500218.db2.gz NNWYXEWKZCOYJR-XXGVUKKKSA-N 2 2 396.535 3.583 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256552751 1043519327 /nfs/dbraw/zinc/51/93/27/1043519327.db2.gz CQTSIYCPZQMGEH-KSEOMHKRSA-N 2 2 395.547 3.987 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256552751 1043519340 /nfs/dbraw/zinc/51/93/40/1043519340.db2.gz CQTSIYCPZQMGEH-KSEOMHKRSA-N 2 2 395.547 3.987 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256552751 1043519345 /nfs/dbraw/zinc/51/93/45/1043519345.db2.gz CQTSIYCPZQMGEH-KSEOMHKRSA-N 2 2 395.547 3.987 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256552751 1043519354 /nfs/dbraw/zinc/51/93/54/1043519354.db2.gz CQTSIYCPZQMGEH-KSEOMHKRSA-N 2 2 395.547 3.987 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC3(CC2)OC(=O)c2ccncc23)CC[N@@H+]1Cc1ccccc1 ZINC001256559306 1043532278 /nfs/dbraw/zinc/53/22/78/1043532278.db2.gz KOILNMOKNJOVES-QUCCMNQESA-N 2 2 391.515 3.596 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC3(CC2)OC(=O)c2ccncc23)CC[N@H+]1Cc1ccccc1 ZINC001256559306 1043532289 /nfs/dbraw/zinc/53/22/89/1043532289.db2.gz KOILNMOKNJOVES-QUCCMNQESA-N 2 2 391.515 3.596 20 0 GHADLP FC1(F)CN(C2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1[NH+]1CCCCC1 ZINC001256612342 1043575548 /nfs/dbraw/zinc/57/55/48/1043575548.db2.gz IOWBDGCLWFAMCY-NRFANRHFSA-N 2 2 377.523 3.847 20 0 GHADLP COC(=O)[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC001256612927 1043577538 /nfs/dbraw/zinc/57/75/38/1043577538.db2.gz SBGOVLCVLDMKRV-GOTSBHOMSA-N 2 2 378.516 3.887 20 0 GHADLP COC(=O)[C@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC001256612927 1043577544 /nfs/dbraw/zinc/57/75/44/1043577544.db2.gz SBGOVLCVLDMKRV-GOTSBHOMSA-N 2 2 378.516 3.887 20 0 GHADLP c1ccc(CN2C[C@H]3[C@@H](CC[N@H+]3C3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC001256613871 1043578914 /nfs/dbraw/zinc/57/89/14/1043578914.db2.gz XIZVDOFWDLAFEV-ZCYQVOJMSA-N 2 2 375.560 3.857 20 0 GHADLP c1ccc(CN2C[C@H]3[C@@H](CC[N@@H+]3C3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC001256613871 1043578921 /nfs/dbraw/zinc/57/89/21/1043578921.db2.gz XIZVDOFWDLAFEV-ZCYQVOJMSA-N 2 2 375.560 3.857 20 0 GHADLP c1ccc(CN2C[C@H]3CC[N@@H+](C4CC[NH+](Cc5ccccc5)CC4)[C@H]3C2)cc1 ZINC001256613869 1043579259 /nfs/dbraw/zinc/57/92/59/1043579259.db2.gz XIZVDOFWDLAFEV-NOZRDPDXSA-N 2 2 375.560 3.857 20 0 GHADLP c1ccc(CN2C[C@H]3CC[N@H+](C4CC[NH+](Cc5ccccc5)CC4)[C@H]3C2)cc1 ZINC001256613869 1043579265 /nfs/dbraw/zinc/57/92/65/1043579265.db2.gz XIZVDOFWDLAFEV-NOZRDPDXSA-N 2 2 375.560 3.857 20 0 GHADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256864224 1043709307 /nfs/dbraw/zinc/70/93/07/1043709307.db2.gz HKMPQKSUTIRDJA-UHFFFAOYSA-N 3 2 382.527 3.786 20 0 GHADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256864224 1043709316 /nfs/dbraw/zinc/70/93/16/1043709316.db2.gz HKMPQKSUTIRDJA-UHFFFAOYSA-N 3 2 382.527 3.786 20 0 GHADLP CC(C)[C@@H]([NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001256911045 1043736405 /nfs/dbraw/zinc/73/64/05/1043736405.db2.gz IBQKTRZYGUHNDI-UYAOXDASSA-N 2 2 379.589 3.875 20 0 GHADLP CC(C)[C@@H]([NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001256911045 1043736419 /nfs/dbraw/zinc/73/64/19/1043736419.db2.gz IBQKTRZYGUHNDI-UYAOXDASSA-N 2 2 379.589 3.875 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)C1 ZINC001257060255 1043826170 /nfs/dbraw/zinc/82/61/70/1043826170.db2.gz JGZKKHFAIXIVQW-DNVCBOLYSA-N 2 2 379.460 3.725 20 0 GHADLP Cc1cc(N2CC[NH+]([C@H](C)Cc3ccc(Br)cc3)CC2)nc(C)[nH+]1 ZINC001257566309 1044052413 /nfs/dbraw/zinc/05/24/13/1044052413.db2.gz ZHNMREJNZNIKIZ-OAHLLOKOSA-N 2 2 389.341 3.609 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC([N@@H+]1Cc3ccccc3C[C@H]1C[NH3+])CC2 ZINC001257755171 1044143917 /nfs/dbraw/zinc/14/39/17/1044143917.db2.gz JJJLFMNXMJJAES-FQEVSTJZSA-N 2 2 385.552 3.552 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC([N@H+]1Cc3ccccc3C[C@H]1C[NH3+])CC2 ZINC001257755171 1044143922 /nfs/dbraw/zinc/14/39/22/1044143922.db2.gz JJJLFMNXMJJAES-FQEVSTJZSA-N 2 2 385.552 3.552 20 0 GHADLP c1ccc(COC2CCC([N@H+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)CC2)cc1 ZINC001257830693 1044208325 /nfs/dbraw/zinc/20/83/25/1044208325.db2.gz IITSENRDCSAHFV-QHSWPGFUSA-N 2 2 391.559 3.973 20 0 GHADLP c1ccc(COC2CCC([N@@H+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)CC2)cc1 ZINC001257830693 1044208335 /nfs/dbraw/zinc/20/83/35/1044208335.db2.gz IITSENRDCSAHFV-QHSWPGFUSA-N 2 2 391.559 3.973 20 0 GHADLP c1ccc(COC2CCC([NH+]3C[C@H]4C[N@@H+](Cc5ccccn5)C[C@H]4C3)CC2)cc1 ZINC001257830693 1044208348 /nfs/dbraw/zinc/20/83/48/1044208348.db2.gz IITSENRDCSAHFV-QHSWPGFUSA-N 2 2 391.559 3.973 20 0 GHADLP c1ccc(COC2CCC([NH+]3C[C@H]4C[N@H+](Cc5ccccn5)C[C@H]4C3)CC2)cc1 ZINC001257830693 1044208364 /nfs/dbraw/zinc/20/83/64/1044208364.db2.gz IITSENRDCSAHFV-QHSWPGFUSA-N 2 2 391.559 3.973 20 0 GHADLP c1ccc(COC2CCC([NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)CC2)cc1 ZINC001257831016 1044208695 /nfs/dbraw/zinc/20/86/95/1044208695.db2.gz OTPKRVOOWHGECO-ARIYZQMHSA-N 2 2 391.559 3.973 20 0 GHADLP COc1cccc(CC2([NH3+])CC[NH+]([C@H]3COc4ccc(Cl)cc4C3)CC2)c1 ZINC001257957235 1044274393 /nfs/dbraw/zinc/27/43/93/1044274393.db2.gz XWJRIHXVSPIKAL-LJQANCHMSA-N 2 2 386.923 3.688 20 0 GHADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257974621 1044299084 /nfs/dbraw/zinc/29/90/84/1044299084.db2.gz YDJZASVUNQUDOU-NJYVYQBISA-N 2 2 387.568 3.681 20 0 GHADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257974621 1044299098 /nfs/dbraw/zinc/29/90/98/1044299098.db2.gz YDJZASVUNQUDOU-NJYVYQBISA-N 2 2 387.568 3.681 20 0 GHADLP COC(=O)C[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccc(Br)cc1 ZINC001258009278 1044335545 /nfs/dbraw/zinc/33/55/45/1044335545.db2.gz UAFSRPIJAKUNQT-SFHVURJKSA-N 2 2 397.357 3.763 20 0 GHADLP [NH3+]C1(Cc2ccc(F)cc2)CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258137571 1044421820 /nfs/dbraw/zinc/42/18/20/1044421820.db2.gz JQLMWMQTFSCKIO-UHFFFAOYSA-N 3 2 395.566 3.869 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H](NC3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC001258138009 1044424097 /nfs/dbraw/zinc/42/40/97/1044424097.db2.gz PCJJUTXOLOCDEF-DEOSSOPVSA-N 2 2 393.575 3.566 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H](NC3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC001258138009 1044424102 /nfs/dbraw/zinc/42/41/02/1044424102.db2.gz PCJJUTXOLOCDEF-DEOSSOPVSA-N 2 2 393.575 3.566 20 0 GHADLP CSCC[C@@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC001258207801 1044469470 /nfs/dbraw/zinc/46/94/70/1044469470.db2.gz ABCMSVWTDDHFBK-QRWLVFNGSA-N 2 2 382.533 3.859 20 0 GHADLP CCC[C@@H](Cc1ccccc1)[NH2+]C1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001258652133 1044691016 /nfs/dbraw/zinc/69/10/16/1044691016.db2.gz OMRVYXBMBRRJOG-QFIPXVFZSA-N 2 2 379.548 3.508 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCC3(C[C@H]([N@H+](C)Cc4cccs4)CO3)CC2)CC1 ZINC001258772908 1044757088 /nfs/dbraw/zinc/75/70/88/1044757088.db2.gz BUIUMUZNTCMNTO-FQEVSTJZSA-N 3 2 391.625 3.678 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)CC1 ZINC001258772908 1044757105 /nfs/dbraw/zinc/75/71/05/1044757105.db2.gz BUIUMUZNTCMNTO-FQEVSTJZSA-N 3 2 391.625 3.678 20 0 GHADLP COc1cc(C[C@@H](C)[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc(OC)c1OC ZINC001258867799 1044810216 /nfs/dbraw/zinc/81/02/16/1044810216.db2.gz RMHYLLLEUXKXEF-MRXNPFEDSA-N 2 2 386.492 3.582 20 0 GHADLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](Cc1ccc(Br)cc1)C(=O)OC ZINC001258899827 1044855496 /nfs/dbraw/zinc/85/54/96/1044855496.db2.gz SLZPUUPMYORHSB-YJBOKZPZSA-N 2 2 399.373 3.633 20 0 GHADLP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)C1 ZINC001297179065 1045469891 /nfs/dbraw/zinc/46/98/91/1045469891.db2.gz WCMADBSMVMCNAU-AZUAARDMSA-N 2 2 388.943 3.686 20 0 GHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000583748090 1046634809 /nfs/dbraw/zinc/63/48/09/1046634809.db2.gz QEJWIRTYKGHIJD-SJORKVTESA-N 2 2 395.469 3.707 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001303314859 1047357930 /nfs/dbraw/zinc/35/79/30/1047357930.db2.gz YLXGWPDAFGYJGR-GHTZIAJQSA-N 2 2 375.532 3.686 20 0 GHADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001303314861 1047357969 /nfs/dbraw/zinc/35/79/69/1047357969.db2.gz YLXGWPDAFGYJGR-NQIIRXRSSA-N 2 2 375.532 3.686 20 0 GHADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC001264591565 1047385041 /nfs/dbraw/zinc/38/50/41/1047385041.db2.gz CMGSFYFJDIVXBO-RTWAWAEBSA-N 2 2 397.588 3.837 20 0 GHADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC001264591565 1047385055 /nfs/dbraw/zinc/38/50/55/1047385055.db2.gz CMGSFYFJDIVXBO-RTWAWAEBSA-N 2 2 397.588 3.837 20 0 GHADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001264591565 1047385067 /nfs/dbraw/zinc/38/50/67/1047385067.db2.gz CMGSFYFJDIVXBO-RTWAWAEBSA-N 2 2 397.588 3.837 20 0 GHADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001264591565 1047385077 /nfs/dbraw/zinc/38/50/77/1047385077.db2.gz CMGSFYFJDIVXBO-RTWAWAEBSA-N 2 2 397.588 3.837 20 0 GHADLP Cc1cccc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c1Br ZINC001279362215 1047779950 /nfs/dbraw/zinc/77/99/50/1047779950.db2.gz HLADMIYENPTGCV-UXHICEINSA-N 2 2 394.401 3.844 20 0 GHADLP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1c(Cl)ccc(C)c1F)CC2 ZINC001279447744 1047812916 /nfs/dbraw/zinc/81/29/16/1047812916.db2.gz VBVYQJBBHOUGDD-UHFFFAOYSA-N 2 2 384.923 3.696 20 0 GHADLP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1c(Cl)ccc(C)c1F)CC2 ZINC001279447744 1047812926 /nfs/dbraw/zinc/81/29/26/1047812926.db2.gz VBVYQJBBHOUGDD-UHFFFAOYSA-N 2 2 384.923 3.696 20 0 GHADLP COC(=O)c1cc(Br)ccc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001279594909 1047859682 /nfs/dbraw/zinc/85/96/82/1047859682.db2.gz FOUYMYHSYPSDFO-UHFFFAOYSA-N 2 2 395.341 3.544 20 0 GHADLP COC(=O)c1cc(Br)ccc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001279594909 1047859697 /nfs/dbraw/zinc/85/96/97/1047859697.db2.gz FOUYMYHSYPSDFO-UHFFFAOYSA-N 2 2 395.341 3.544 20 0 GHADLP O=c1cccc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4ncc(Cl)s4)(C2)CCC3)[nH]1 ZINC001279651953 1047894363 /nfs/dbraw/zinc/89/43/63/1047894363.db2.gz YNZZTQIQYFUPEM-ZWKOTPCHSA-N 2 2 378.929 3.622 20 0 GHADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3ccc(Cl)c(F)c3F)C2)C1 ZINC001279711747 1047930170 /nfs/dbraw/zinc/93/01/70/1047930170.db2.gz HRSWZQJRXZYHPR-FQEVSTJZSA-N 2 2 385.930 3.858 20 0 GHADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3ccc(Cl)c(F)c3F)C2)C1 ZINC001279711747 1047930173 /nfs/dbraw/zinc/93/01/73/1047930173.db2.gz HRSWZQJRXZYHPR-FQEVSTJZSA-N 2 2 385.930 3.858 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC001307501677 1049343062 /nfs/dbraw/zinc/34/30/62/1049343062.db2.gz SQYRJJOBAVSZPV-INIZCTEOSA-N 2 2 395.416 3.569 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC001307501677 1049343068 /nfs/dbraw/zinc/34/30/68/1049343068.db2.gz SQYRJJOBAVSZPV-INIZCTEOSA-N 2 2 395.416 3.569 20 0 GHADLP C[N@H+](CCCOCc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001307717503 1049532993 /nfs/dbraw/zinc/53/29/93/1049532993.db2.gz SFYBWYKGBRYTHX-XMMPIXPASA-N 2 2 382.548 3.816 20 0 GHADLP C[N@@H+](CCCOCc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001307717503 1049533001 /nfs/dbraw/zinc/53/30/01/1049533001.db2.gz SFYBWYKGBRYTHX-XMMPIXPASA-N 2 2 382.548 3.816 20 0 GHADLP C[NH+](CCCOCc1ccccc1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001307717503 1049533014 /nfs/dbraw/zinc/53/30/14/1049533014.db2.gz SFYBWYKGBRYTHX-XMMPIXPASA-N 2 2 382.548 3.816 20 0 GHADLP C[NH+](CCCOCc1ccccc1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001307717503 1049533027 /nfs/dbraw/zinc/53/30/27/1049533027.db2.gz SFYBWYKGBRYTHX-XMMPIXPASA-N 2 2 382.548 3.816 20 0 GHADLP O[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC001308034411 1049784878 /nfs/dbraw/zinc/78/48/78/1049784878.db2.gz PIFYEJQEAHKPHO-OALUTQOASA-N 2 2 375.394 3.966 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1cccc(F)c1 ZINC001290306577 1049796697 /nfs/dbraw/zinc/79/66/97/1049796697.db2.gz WEXQAVVUDJBNOM-RBUKOAKNSA-N 2 2 377.891 3.501 20 0 GHADLP CC[C@H](C)Oc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)ccc1OC ZINC001308207625 1049912964 /nfs/dbraw/zinc/91/29/64/1049912964.db2.gz OYNUHTRHTBHYJZ-IBGZPJMESA-N 2 2 398.547 3.995 20 0 GHADLP CC[C@@H](C)Oc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)ccc1OC ZINC001308207626 1049913025 /nfs/dbraw/zinc/91/30/25/1049913025.db2.gz OYNUHTRHTBHYJZ-LJQANCHMSA-N 2 2 398.547 3.995 20 0 GHADLP COc1ccc(-c2nc(CC[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)co2)cc1 ZINC001308252418 1049927382 /nfs/dbraw/zinc/92/73/82/1049927382.db2.gz YCAVEFOJIMQOAE-UHFFFAOYSA-N 2 2 380.473 3.930 20 0 GHADLP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001308415142 1049971066 /nfs/dbraw/zinc/97/10/66/1049971066.db2.gz UCACTVUIKRXCPX-UHFFFAOYSA-N 2 2 378.904 3.919 20 0 GHADLP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1CC[NH+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC001308802278 1050100239 /nfs/dbraw/zinc/10/02/39/1050100239.db2.gz QVTOMZJQVAGETN-ZYSHUDEJSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CC[NH+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC001308802278 1050100243 /nfs/dbraw/zinc/10/02/43/1050100243.db2.gz QVTOMZJQVAGETN-ZYSHUDEJSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[N@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC001308802278 1050100249 /nfs/dbraw/zinc/10/02/49/1050100249.db2.gz QVTOMZJQVAGETN-ZYSHUDEJSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC001308802278 1050100253 /nfs/dbraw/zinc/10/02/53/1050100253.db2.gz QVTOMZJQVAGETN-ZYSHUDEJSA-N 2 2 382.390 3.903 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001308841827 1050119324 /nfs/dbraw/zinc/11/93/24/1050119324.db2.gz ZNHOGQJSMZEXPU-STZQEDGTSA-N 2 2 397.563 3.838 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001308841827 1050119334 /nfs/dbraw/zinc/11/93/34/1050119334.db2.gz ZNHOGQJSMZEXPU-STZQEDGTSA-N 2 2 397.563 3.838 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)C2)CC1 ZINC001308894174 1050144814 /nfs/dbraw/zinc/14/48/14/1050144814.db2.gz LEUQVJWJBYPGRE-IBGZPJMESA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC([NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)C2)CC1 ZINC001308894174 1050144819 /nfs/dbraw/zinc/14/48/19/1050144819.db2.gz LEUQVJWJBYPGRE-IBGZPJMESA-N 2 2 377.573 3.773 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@]2(Cc3ccccc3)C=CCCC2)CC1 ZINC001308896532 1050145593 /nfs/dbraw/zinc/14/55/93/1050145593.db2.gz BEMRHMNGGBSPAX-XMMPIXPASA-N 2 2 384.564 3.963 20 0 GHADLP CCOC(=O)COc1ccc(C[NH+]2CCC(CC)([NH+]3CCCCC3)CC2)cc1 ZINC001308918305 1050167804 /nfs/dbraw/zinc/16/78/04/1050167804.db2.gz KWFNPWQXUMXBKU-UHFFFAOYSA-N 2 2 388.552 3.859 20 0 GHADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCN(c4c(F)cccc4F)C3=O)CC2)C1 ZINC001308921677 1050173929 /nfs/dbraw/zinc/17/39/29/1050173929.db2.gz GDRYMVYJWMHAMN-SYNHAJSKSA-N 2 2 391.506 3.703 20 0 GHADLP C[NH+](C)Cc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)no1 ZINC001331886161 1051400249 /nfs/dbraw/zinc/40/02/49/1051400249.db2.gz LVWMBRPZEFIHIL-UHFFFAOYSA-N 2 2 396.413 3.603 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+]CCC(=O)Nc2ccccc2)CCOCC1)c1ccccc1 ZINC001335381669 1052088316 /nfs/dbraw/zinc/08/83/16/1052088316.db2.gz OZDARAMFRJLBKF-IBGZPJMESA-N 2 2 381.520 3.505 20 0 GHADLP [NH3+]C[C@@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)c1ccc2ccccc2c1 ZINC001335587805 1052134895 /nfs/dbraw/zinc/13/48/95/1052134895.db2.gz GIBLTXPQEJSCOS-OAQYLSRUSA-N 2 2 389.503 3.521 20 0 GHADLP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001335865573 1052193572 /nfs/dbraw/zinc/19/35/72/1052193572.db2.gz GGJGBPYNEZBLRC-PMACEKPBSA-N 2 2 379.508 3.596 20 0 GHADLP CCC[NH+](CCC)CCCNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001311856970 1052441589 /nfs/dbraw/zinc/44/15/89/1052441589.db2.gz CBTVTFXWKPIZTO-GOSISDBHSA-N 2 2 380.602 3.648 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)NCc2cc[nH+]c(NC)c2)[NH+](CC)CC)cc1 ZINC001312785783 1052868945 /nfs/dbraw/zinc/86/89/45/1052868945.db2.gz IBMIDCQBYWRWNX-HXUWFJFHSA-N 2 2 383.540 3.568 20 0 GHADLP CC(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001344490973 1054516901 /nfs/dbraw/zinc/51/69/01/1054516901.db2.gz XAFAPMCVELDYQQ-IBGZPJMESA-N 2 2 388.604 3.546 20 0 GHADLP CC(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001344490973 1054516912 /nfs/dbraw/zinc/51/69/12/1054516912.db2.gz XAFAPMCVELDYQQ-IBGZPJMESA-N 2 2 388.604 3.546 20 0 GHADLP CN(C(=O)c1ccc(-c2ccccc2)s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001318726578 1054827475 /nfs/dbraw/zinc/82/74/75/1054827475.db2.gz CMJPGOUHJYWBSE-IBGZPJMESA-N 2 2 383.561 3.656 20 0 GHADLP CN(C(=O)c1ccc(-c2ccccc2)s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001318726578 1054827495 /nfs/dbraw/zinc/82/74/95/1054827495.db2.gz CMJPGOUHJYWBSE-IBGZPJMESA-N 2 2 383.561 3.656 20 0 GHADLP CN(C(=O)c1ccc(-c2cccs2)s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001320304924 1055746132 /nfs/dbraw/zinc/74/61/32/1055746132.db2.gz LAXRHVZBOFBNLZ-INIZCTEOSA-N 2 2 389.590 3.717 20 0 GHADLP CN(C(=O)c1ccc(-c2cccs2)s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001320304924 1055746142 /nfs/dbraw/zinc/74/61/42/1055746142.db2.gz LAXRHVZBOFBNLZ-INIZCTEOSA-N 2 2 389.590 3.717 20 0 GHADLP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC001323422373 1056967522 /nfs/dbraw/zinc/96/75/22/1056967522.db2.gz RPQIGXOCDZIQRV-PMACEKPBSA-N 2 2 394.401 3.876 20 0 GHADLP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC001323422481 1056967941 /nfs/dbraw/zinc/96/79/41/1056967941.db2.gz RPQIGXOCDZIQRV-VQTJNVASSA-N 2 2 394.401 3.876 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(F)c1Br ZINC001324964772 1057254697 /nfs/dbraw/zinc/25/46/97/1057254697.db2.gz LFKVALXUJTXVJZ-UHFFFAOYSA-N 2 2 375.201 3.730 20 0 GHADLP O=C(c1cccs1)C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001325759554 1057358767 /nfs/dbraw/zinc/35/87/67/1057358767.db2.gz DPDLZCYJJKKEJJ-UHFFFAOYSA-N 2 2 384.545 3.675 20 0 GHADLP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000849096706 1057592556 /nfs/dbraw/zinc/59/25/56/1057592556.db2.gz LIAWXCWURNYTLY-UHFFFAOYSA-N 2 2 388.487 3.691 20 0 GHADLP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000849096706 1057592560 /nfs/dbraw/zinc/59/25/60/1057592560.db2.gz LIAWXCWURNYTLY-UHFFFAOYSA-N 2 2 388.487 3.691 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccco1 ZINC001442492129 1058968346 /nfs/dbraw/zinc/96/83/46/1058968346.db2.gz PMCNITOQGHIHDM-IEBWSBKVSA-N 2 2 377.916 3.735 20 0 GHADLP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001448618362 1060229029 /nfs/dbraw/zinc/22/90/29/1060229029.db2.gz ATDFQWGOXVSRMG-VQTJNVASSA-N 2 2 386.927 3.582 20 0 GHADLP O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001448618362 1060229051 /nfs/dbraw/zinc/22/90/51/1060229051.db2.gz ATDFQWGOXVSRMG-VQTJNVASSA-N 2 2 386.927 3.582 20 0 GHADLP [NH3+][C@H](Cc1ccc2cc[nH]c2c1)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001341571273 1060752385 /nfs/dbraw/zinc/75/23/85/1060752385.db2.gz OHBCHCLJURUHIM-OAQYLSRUSA-N 2 2 399.498 3.876 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H](c3ccncc3)C3CCCCC3)c2)CC1 ZINC001454648882 1061900517 /nfs/dbraw/zinc/90/05/17/1061900517.db2.gz AVEBIWDZTFMQDQ-QFIPXVFZSA-N 2 2 393.535 3.531 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC001438196903 1064004435 /nfs/dbraw/zinc/00/44/35/1064004435.db2.gz JXAGALYBGMCVRN-LJQANCHMSA-N 2 2 381.520 3.785 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC001350771280 1064184774 /nfs/dbraw/zinc/18/47/74/1064184774.db2.gz FFMGRGZUTIUXNH-MRXNPFEDSA-N 2 2 389.588 3.836 20 0 GHADLP Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)cc1 ZINC001459719086 1064185272 /nfs/dbraw/zinc/18/52/72/1064185272.db2.gz QETOOKAELGBSKJ-UHFFFAOYSA-N 2 2 391.559 3.939 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](C[NH+]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC001459767973 1064207431 /nfs/dbraw/zinc/20/74/31/1064207431.db2.gz OLOSCYDPBOMYIC-DEOSSOPVSA-N 2 2 394.559 3.784 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC001459767973 1064207441 /nfs/dbraw/zinc/20/74/41/1064207441.db2.gz OLOSCYDPBOMYIC-DEOSSOPVSA-N 2 2 394.559 3.784 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC001459767973 1064207449 /nfs/dbraw/zinc/20/74/49/1064207449.db2.gz OLOSCYDPBOMYIC-DEOSSOPVSA-N 2 2 394.559 3.784 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](C[N@H+]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC001459767973 1064207454 /nfs/dbraw/zinc/20/74/54/1064207454.db2.gz OLOSCYDPBOMYIC-DEOSSOPVSA-N 2 2 394.559 3.784 20 0 GHADLP COC(=O)c1ccc(OC)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC001460006322 1064340369 /nfs/dbraw/zinc/34/03/69/1064340369.db2.gz NUCJFAKNQSLEAS-QFIPXVFZSA-N 2 2 396.531 3.872 20 0 GHADLP COC(=O)c1ccc(OC)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC001460006322 1064340379 /nfs/dbraw/zinc/34/03/79/1064340379.db2.gz NUCJFAKNQSLEAS-QFIPXVFZSA-N 2 2 396.531 3.872 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NCc3ccccc3C[N@H+]3CCC[C@H](C)C3)ccn12 ZINC001464153560 1064868051 /nfs/dbraw/zinc/86/80/51/1064868051.db2.gz AGFINPXMGMXXQO-KRWDZBQOSA-N 2 2 376.504 3.805 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NCc3ccccc3C[N@@H+]3CCC[C@H](C)C3)ccn12 ZINC001464153560 1064868058 /nfs/dbraw/zinc/86/80/58/1064868058.db2.gz AGFINPXMGMXXQO-KRWDZBQOSA-N 2 2 376.504 3.805 20 0 GHADLP C[C@H](CC[NH+](C)C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001464923880 1065274875 /nfs/dbraw/zinc/27/48/75/1065274875.db2.gz UIKNFVSLSDNZJK-LJQANCHMSA-N 2 2 390.531 3.802 20 0 GHADLP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001300229512 1065770395 /nfs/dbraw/zinc/77/03/95/1065770395.db2.gz UGSWLZMJVYLVQL-XUVXKRRUSA-N 2 2 388.515 3.996 20 0 GHADLP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001300229512 1065770408 /nfs/dbraw/zinc/77/04/08/1065770408.db2.gz UGSWLZMJVYLVQL-XUVXKRRUSA-N 2 2 388.515 3.996 20 0 GHADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC001477598978 1078484609 /nfs/dbraw/zinc/48/46/09/1078484609.db2.gz WHOLJQSRJLSTAY-HSRJRILOSA-N 2 2 398.595 3.538 20 0 GHADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC001477598978 1078484621 /nfs/dbraw/zinc/48/46/21/1078484621.db2.gz WHOLJQSRJLSTAY-HSRJRILOSA-N 2 2 398.595 3.538 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001467642607 1067397533 /nfs/dbraw/zinc/39/75/33/1067397533.db2.gz GHCHTNMBTUFITH-FQEVSTJZSA-N 2 2 382.895 3.753 20 0 GHADLP CC[N@H+](CCCNC(=O)NCc1ccccc1-n1cc[nH+]c1)C1CCCCC1 ZINC001468254237 1067653638 /nfs/dbraw/zinc/65/36/38/1067653638.db2.gz MPXRKYNTGVOEQB-UHFFFAOYSA-N 2 2 383.540 3.716 20 0 GHADLP CC[N@@H+](CCCNC(=O)NCc1ccccc1-n1cc[nH+]c1)C1CCCCC1 ZINC001468254237 1067653640 /nfs/dbraw/zinc/65/36/40/1067653640.db2.gz MPXRKYNTGVOEQB-UHFFFAOYSA-N 2 2 383.540 3.716 20 0 GHADLP Fc1ccc(C2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)nc1 ZINC001460468394 1068971939 /nfs/dbraw/zinc/97/19/39/1068971939.db2.gz BQYHZRWTBXTHTK-JOCHJYFZSA-N 2 2 383.511 3.691 20 0 GHADLP Fc1ccc(C2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)nc1 ZINC001460468394 1068971940 /nfs/dbraw/zinc/97/19/40/1068971940.db2.gz BQYHZRWTBXTHTK-JOCHJYFZSA-N 2 2 383.511 3.691 20 0 GHADLP C[C@@H]1C[N@H+](Cc2nc3ccc(Br)cc3o2)CCN1c1cc[nH+]cc1 ZINC001460708027 1069107434 /nfs/dbraw/zinc/10/74/34/1069107434.db2.gz JUDQZJLBPQYQSB-CYBMUJFWSA-N 2 2 387.281 3.696 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2nc3ccc(Br)cc3o2)CCN1c1cc[nH+]cc1 ZINC001460708027 1069107438 /nfs/dbraw/zinc/10/74/38/1069107438.db2.gz JUDQZJLBPQYQSB-CYBMUJFWSA-N 2 2 387.281 3.696 20 0 GHADLP c1csc(C[C@@H]2CCC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC001460799200 1069187882 /nfs/dbraw/zinc/18/78/82/1069187882.db2.gz DLZKAJWHZSKXIK-LEWJYISDSA-N 2 2 385.577 3.689 20 0 GHADLP c1csc(C[C@@H]2CCC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC001460799200 1069187885 /nfs/dbraw/zinc/18/78/85/1069187885.db2.gz DLZKAJWHZSKXIK-LEWJYISDSA-N 2 2 385.577 3.689 20 0 GHADLP c1csc(C[C@@H]2CCC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC001460799200 1069187888 /nfs/dbraw/zinc/18/78/88/1069187888.db2.gz DLZKAJWHZSKXIK-LEWJYISDSA-N 2 2 385.577 3.689 20 0 GHADLP c1csc(C[C@@H]2CCC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC001460799200 1069187890 /nfs/dbraw/zinc/18/78/90/1069187890.db2.gz DLZKAJWHZSKXIK-LEWJYISDSA-N 2 2 385.577 3.689 20 0 GHADLP O[C@H](C[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1)c1cc2ccccc2o1 ZINC001460838965 1069211958 /nfs/dbraw/zinc/21/19/58/1069211958.db2.gz WYSNRUJXFOZGML-JOCHJYFZSA-N 2 2 394.515 3.691 20 0 GHADLP O[C@H](C[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1)c1cc2ccccc2o1 ZINC001460838965 1069211966 /nfs/dbraw/zinc/21/19/66/1069211966.db2.gz WYSNRUJXFOZGML-JOCHJYFZSA-N 2 2 394.515 3.691 20 0 GHADLP O[C@H](C[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1)c1cc2ccccc2o1 ZINC001460838965 1069211976 /nfs/dbraw/zinc/21/19/76/1069211976.db2.gz WYSNRUJXFOZGML-JOCHJYFZSA-N 2 2 394.515 3.691 20 0 GHADLP O[C@H](C[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1)c1cc2ccccc2o1 ZINC001460838965 1069211981 /nfs/dbraw/zinc/21/19/81/1069211981.db2.gz WYSNRUJXFOZGML-JOCHJYFZSA-N 2 2 394.515 3.691 20 0 GHADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1c2ccccc2C[NH+]1C ZINC001478497170 1078893974 /nfs/dbraw/zinc/89/39/74/1078893974.db2.gz XVDBIEOPZHTVSD-DHIUTWEWSA-N 2 2 394.563 3.629 20 0 GHADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1c2ccccc2C[NH+]1C ZINC001478497170 1078893978 /nfs/dbraw/zinc/89/39/78/1078893978.db2.gz XVDBIEOPZHTVSD-DHIUTWEWSA-N 2 2 394.563 3.629 20 0 GHADLP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001478497170 1078893981 /nfs/dbraw/zinc/89/39/81/1078893981.db2.gz XVDBIEOPZHTVSD-DHIUTWEWSA-N 2 2 394.563 3.629 20 0 GHADLP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001478497170 1078893983 /nfs/dbraw/zinc/89/39/83/1078893983.db2.gz XVDBIEOPZHTVSD-DHIUTWEWSA-N 2 2 394.563 3.629 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001470781571 1072736972 /nfs/dbraw/zinc/73/69/72/1072736972.db2.gz WWTJOZLNYUNFBA-WMZHIEFXSA-N 2 2 388.515 3.572 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001470781571 1072736975 /nfs/dbraw/zinc/73/69/75/1072736975.db2.gz WWTJOZLNYUNFBA-WMZHIEFXSA-N 2 2 388.515 3.572 20 0 GHADLP Cc1nc(-c2ccccc2)oc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001473143216 1073806116 /nfs/dbraw/zinc/80/61/16/1073806116.db2.gz GVPHACXHFAJYNV-KDURUIRLSA-N 2 2 382.552 3.640 20 0 GHADLP Cc1nc(-c2ccccc2)oc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001473143216 1073806126 /nfs/dbraw/zinc/80/61/26/1073806126.db2.gz GVPHACXHFAJYNV-KDURUIRLSA-N 2 2 382.552 3.640 20 0 GHADLP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC001473264326 1073897211 /nfs/dbraw/zinc/89/72/11/1073897211.db2.gz ODJZYIXVWFWHDZ-QZTJIDSGSA-N 2 2 389.927 3.668 20 0 GHADLP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC001473264326 1073897218 /nfs/dbraw/zinc/89/72/18/1073897218.db2.gz ODJZYIXVWFWHDZ-QZTJIDSGSA-N 2 2 389.927 3.668 20 0 GHADLP CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001473395175 1073947629 /nfs/dbraw/zinc/94/76/29/1073947629.db2.gz JRQTZPVHKGGCIY-LOSJGSFVSA-N 2 2 396.575 3.941 20 0 GHADLP CC[C@@](C)(O)C[N@H+](Cc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001473395175 1073947633 /nfs/dbraw/zinc/94/76/33/1073947633.db2.gz JRQTZPVHKGGCIY-LOSJGSFVSA-N 2 2 396.575 3.941 20 0 GHADLP CC[C@@](C)(O)C[NH+](Cc1ccccc1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001473395175 1073947635 /nfs/dbraw/zinc/94/76/35/1073947635.db2.gz JRQTZPVHKGGCIY-LOSJGSFVSA-N 2 2 396.575 3.941 20 0 GHADLP CC[C@@](C)(O)C[NH+](Cc1ccccc1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001473395175 1073947638 /nfs/dbraw/zinc/94/76/38/1073947638.db2.gz JRQTZPVHKGGCIY-LOSJGSFVSA-N 2 2 396.575 3.941 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC001473486991 1073985440 /nfs/dbraw/zinc/98/54/40/1073985440.db2.gz WPVKRZUGBOQEBF-JOCHJYFZSA-N 2 2 389.543 3.907 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC001473486991 1073985443 /nfs/dbraw/zinc/98/54/43/1073985443.db2.gz WPVKRZUGBOQEBF-JOCHJYFZSA-N 2 2 389.543 3.907 20 0 GHADLP C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001473834396 1074165816 /nfs/dbraw/zinc/16/58/16/1074165816.db2.gz QIPKLCSXRJRLSB-YOSAUDMPSA-N 2 2 380.532 3.869 20 0 GHADLP C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001473834396 1074165821 /nfs/dbraw/zinc/16/58/21/1074165821.db2.gz QIPKLCSXRJRLSB-YOSAUDMPSA-N 2 2 380.532 3.869 20 0 GHADLP CO[C@@H](C[NH2+][C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC001473844459 1074171094 /nfs/dbraw/zinc/17/10/94/1074171094.db2.gz DQCDDJZSYKMBOB-OJJQZRKESA-N 2 2 394.559 3.686 20 0 GHADLP CO[C@@H](C[NH2+][C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC001473844459 1074171099 /nfs/dbraw/zinc/17/10/99/1074171099.db2.gz DQCDDJZSYKMBOB-OJJQZRKESA-N 2 2 394.559 3.686 20 0 GHADLP Brc1c[nH]c(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001474083158 1074258103 /nfs/dbraw/zinc/25/81/03/1074258103.db2.gz MTUBVNNXXFAJPY-YESZJQIVSA-N 2 2 389.341 3.563 20 0 GHADLP Brc1c[nH]c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001474083158 1074258110 /nfs/dbraw/zinc/25/81/10/1074258110.db2.gz MTUBVNNXXFAJPY-YESZJQIVSA-N 2 2 389.341 3.563 20 0 GHADLP C[N@@H+]1C[C@@H](C[NH2+]Cc2cc(O)ccc2Br)[C@H](c2ccccc2)C1 ZINC001474189711 1074288218 /nfs/dbraw/zinc/28/82/18/1074288218.db2.gz PGWMWRRKXDIKIH-AEFFLSMTSA-N 2 2 375.310 3.590 20 0 GHADLP C[N@H+]1C[C@@H](C[NH2+]Cc2cc(O)ccc2Br)[C@H](c2ccccc2)C1 ZINC001474189711 1074288220 /nfs/dbraw/zinc/28/82/20/1074288220.db2.gz PGWMWRRKXDIKIH-AEFFLSMTSA-N 2 2 375.310 3.590 20 0 GHADLP CC1(C)C[C@@]1(C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC001474219334 1074297867 /nfs/dbraw/zinc/29/78/67/1074297867.db2.gz YJWSMABREITXID-RUZDIDTESA-N 2 2 394.559 3.855 20 0 GHADLP Cc1cc(NC(=O)C[NH2+]C2CC[NH+](CCC(C)C)CC2)ccc1Br ZINC001474590875 1074473909 /nfs/dbraw/zinc/47/39/09/1074473909.db2.gz OHTCFSDFHQLYBA-UHFFFAOYSA-N 2 2 396.373 3.796 20 0 GHADLP O=C(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Nc1cc(Cl)ccc1Cl ZINC001474689714 1074517168 /nfs/dbraw/zinc/51/71/68/1074517168.db2.gz ZEDIXNDAWYUTTM-UHFFFAOYSA-N 2 2 381.288 3.969 20 0 GHADLP Cc1cc(C)c(-c2nn[nH]n2)c(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)[nH+]1 ZINC000822193007 599319344 /nfs/dbraw/zinc/31/93/44/599319344.db2.gz IGTYHCAYTVOWJG-UHFFFAOYSA-N 2 2 397.914 3.608 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)CCCC1)c1ccccc1 ZINC000820413553 606221055 /nfs/dbraw/zinc/22/10/55/606221055.db2.gz RRDRHQNVGYBDDM-HNNXBMFYSA-N 2 2 382.537 3.681 20 0 GHADLP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]ccc4ccccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833679 720514972 /nfs/dbraw/zinc/51/49/72/720514972.db2.gz DMHNOKHIMJCWDL-JAXLGGSGSA-N 2 2 375.520 3.809 20 0 GHADLP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]ccc4ccccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833679 720514973 /nfs/dbraw/zinc/51/49/73/720514973.db2.gz DMHNOKHIMJCWDL-JAXLGGSGSA-N 2 2 375.520 3.809 20 0 GHADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1NC(C)C ZINC001165028140 721798260 /nfs/dbraw/zinc/79/82/60/721798260.db2.gz YPXICUYVPDNBDP-TYPHKJRUSA-N 2 2 394.567 3.737 20 0 GHADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1NC(C)C ZINC001165028140 721798261 /nfs/dbraw/zinc/79/82/61/721798261.db2.gz YPXICUYVPDNBDP-TYPHKJRUSA-N 2 2 394.567 3.737 20 0 GHADLP COc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc(OC)c1OCc1ccccc1 ZINC000030909881 837692203 /nfs/dbraw/zinc/69/22/03/837692203.db2.gz VQMUGCSMGPFTPP-KRWDZBQOSA-N 2 2 381.476 3.658 20 0 GHADLP Fc1ccccc1OC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655703200 837698463 /nfs/dbraw/zinc/69/84/63/837698463.db2.gz NGZSYPQWUPPOOQ-UNMCSNQZSA-N 2 2 384.495 3.789 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NCCCC[N@H+]3CCCC[C@H]3C)cn2c1 ZINC000046990097 834424395 /nfs/dbraw/zinc/42/43/95/834424395.db2.gz AWAXWFUNFWVHGJ-GOSISDBHSA-N 2 2 388.581 3.647 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NCCCC[N@@H+]3CCCC[C@H]3C)cn2c1 ZINC000046990097 834424398 /nfs/dbraw/zinc/42/43/98/834424398.db2.gz AWAXWFUNFWVHGJ-GOSISDBHSA-N 2 2 388.581 3.647 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(C(F)(F)F)CCCCC3)CC2)CC1 ZINC000616381415 834728949 /nfs/dbraw/zinc/72/89/49/834728949.db2.gz PHNISHCFTWMRFY-UHFFFAOYSA-N 2 2 389.506 3.518 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(C(F)(F)F)CCCCC3)CC2)CC1 ZINC000616381415 834728953 /nfs/dbraw/zinc/72/89/53/834728953.db2.gz PHNISHCFTWMRFY-UHFFFAOYSA-N 2 2 389.506 3.518 20 0 GHADLP COc1ccc2nc(CNc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)sc2c1 ZINC000530489663 834951872 /nfs/dbraw/zinc/95/18/72/834951872.db2.gz JHIGCYUDOSIUAC-UHFFFAOYSA-N 2 2 397.548 3.842 20 0 GHADLP CN(CC[N@H+](C)Cc1cn(-c2ccccc2)nc1C(C)(C)C)C1CC[NH+](C)CC1 ZINC000685454778 835026032 /nfs/dbraw/zinc/02/60/32/835026032.db2.gz NECKWALXQVUNOU-UHFFFAOYSA-N 2 2 397.611 3.628 20 0 GHADLP CN(CC[N@@H+](C)Cc1cn(-c2ccccc2)nc1C(C)(C)C)C1CC[NH+](C)CC1 ZINC000685454778 835026043 /nfs/dbraw/zinc/02/60/43/835026043.db2.gz NECKWALXQVUNOU-UHFFFAOYSA-N 2 2 397.611 3.628 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000685651264 835265296 /nfs/dbraw/zinc/26/52/96/835265296.db2.gz TVMVLXXSFVFMGI-KRWDZBQOSA-N 2 2 377.492 3.888 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000685651264 835265300 /nfs/dbraw/zinc/26/53/00/835265300.db2.gz TVMVLXXSFVFMGI-KRWDZBQOSA-N 2 2 377.492 3.888 20 0 GHADLP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCC2 ZINC000658296016 835559813 /nfs/dbraw/zinc/55/98/13/835559813.db2.gz XIHHHTGLJHNYQJ-MJGOQNOKSA-N 2 2 379.342 3.669 20 0 GHADLP Brc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294526 835559842 /nfs/dbraw/zinc/55/98/42/835559842.db2.gz IEQVELUECRVEHL-HKUYNNGSSA-N 2 2 379.342 3.669 20 0 GHADLP CCc1cccc(C)c1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274830768 835669683 /nfs/dbraw/zinc/66/96/83/835669683.db2.gz MFIYLWDNIGXZKH-KNQAVFIVSA-N 2 2 379.548 3.996 20 0 GHADLP CCc1cccc(C)c1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274830768 835669685 /nfs/dbraw/zinc/66/96/85/835669685.db2.gz MFIYLWDNIGXZKH-KNQAVFIVSA-N 2 2 379.548 3.996 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)ccn12 ZINC000584240368 835794066 /nfs/dbraw/zinc/79/40/66/835794066.db2.gz FLGPXKQYXDTYOC-FGZHOGPDSA-N 2 2 388.515 3.769 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)ccn12 ZINC000584240368 835794076 /nfs/dbraw/zinc/79/40/76/835794076.db2.gz FLGPXKQYXDTYOC-FGZHOGPDSA-N 2 2 388.515 3.769 20 0 GHADLP Fc1cc(Br)cc(OCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000584249792 835808726 /nfs/dbraw/zinc/80/87/26/835808726.db2.gz CHFLRYBNKVBMDC-MRXNPFEDSA-N 2 2 381.245 3.515 20 0 GHADLP Fc1cc(Br)cc(OCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000584249792 835808732 /nfs/dbraw/zinc/80/87/32/835808732.db2.gz CHFLRYBNKVBMDC-MRXNPFEDSA-N 2 2 381.245 3.515 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(Cc4cccs4)CCCCC3)C2)CC1 ZINC000685734433 835822314 /nfs/dbraw/zinc/82/23/14/835822314.db2.gz VUWKXWQCIRUQEB-SFHVURJKSA-N 2 2 389.609 3.526 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(Cc4cccs4)CCCCC3)C2)CC1 ZINC000685734433 835822323 /nfs/dbraw/zinc/82/23/23/835822323.db2.gz VUWKXWQCIRUQEB-SFHVURJKSA-N 2 2 389.609 3.526 20 0 GHADLP COc1cccc2c(NCC3(O)CC[NH+](Cc4ccccc4)CC3)cc[nH+]c12 ZINC000413587579 835848819 /nfs/dbraw/zinc/84/88/19/835848819.db2.gz QVZYZTDWQWBHFH-UHFFFAOYSA-N 2 2 377.488 3.682 20 0 GHADLP Cc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000548931606 836257853 /nfs/dbraw/zinc/25/78/53/836257853.db2.gz SBKCRBDQPKFYBH-QFIPXVFZSA-N 2 2 379.548 3.502 20 0 GHADLP Cc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000548931606 836257861 /nfs/dbraw/zinc/25/78/61/836257861.db2.gz SBKCRBDQPKFYBH-QFIPXVFZSA-N 2 2 379.548 3.502 20 0 GHADLP CCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)s1 ZINC000155151875 836470171 /nfs/dbraw/zinc/47/01/71/836470171.db2.gz JGFMLCQYRCZWGD-MRXNPFEDSA-N 2 2 389.565 3.576 20 0 GHADLP CC(C)c1ccc2occ(C(=O)N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2c1 ZINC000376072776 836753035 /nfs/dbraw/zinc/75/30/35/836753035.db2.gz BCSDFCKLSKADTI-LJQANCHMSA-N 2 2 383.536 3.797 20 0 GHADLP CC(C)c1ccc2occ(C(=O)N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2c1 ZINC000376072776 836753041 /nfs/dbraw/zinc/75/30/41/836753041.db2.gz BCSDFCKLSKADTI-LJQANCHMSA-N 2 2 383.536 3.797 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000510214509 836789920 /nfs/dbraw/zinc/78/99/20/836789920.db2.gz YSTDRKUCRJYDBH-HXUWFJFHSA-N 2 2 378.476 3.731 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)NCc2c[nH+]cn2C)cc1)C[C@H]1CCCCO1 ZINC000514971588 837036130 /nfs/dbraw/zinc/03/61/30/837036130.db2.gz AWQUJNJXAJIYPC-OAQYLSRUSA-N 2 2 399.539 3.521 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)NCc2c[nH+]cn2C)cc1)C[C@H]1CCCCO1 ZINC000514971588 837036147 /nfs/dbraw/zinc/03/61/47/837036147.db2.gz AWQUJNJXAJIYPC-OAQYLSRUSA-N 2 2 399.539 3.521 20 0 GHADLP CSCc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000176009173 837109269 /nfs/dbraw/zinc/10/92/69/837109269.db2.gz HXYUNSQPKIAKKC-UHFFFAOYSA-N 2 2 390.597 3.621 20 0 GHADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000115545723 838008390 /nfs/dbraw/zinc/00/83/90/838008390.db2.gz GCTBYRGYPCZZGE-UHFFFAOYSA-N 2 2 386.511 3.683 20 0 GHADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000115545723 838008402 /nfs/dbraw/zinc/00/84/02/838008402.db2.gz GCTBYRGYPCZZGE-UHFFFAOYSA-N 2 2 386.511 3.683 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000415953424 838312313 /nfs/dbraw/zinc/31/23/13/838312313.db2.gz GVDSTWONJZSKFA-MOPGFXCFSA-N 2 2 390.890 3.895 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000415953424 838312321 /nfs/dbraw/zinc/31/23/21/838312321.db2.gz GVDSTWONJZSKFA-MOPGFXCFSA-N 2 2 390.890 3.895 20 0 GHADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)c2ccccc21 ZINC000376706765 838640678 /nfs/dbraw/zinc/64/06/78/838640678.db2.gz MSDLGTUNIVYAPM-DLBZAZTESA-N 2 2 398.526 3.508 20 0 GHADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)c2ccccc21 ZINC000376706765 838640684 /nfs/dbraw/zinc/64/06/84/838640684.db2.gz MSDLGTUNIVYAPM-DLBZAZTESA-N 2 2 398.526 3.508 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)nn1 ZINC000892750541 838975309 /nfs/dbraw/zinc/97/53/09/838975309.db2.gz KRXIXDPMFKZOTN-UHFFFAOYSA-N 2 2 389.544 3.568 20 0 GHADLP CN(CCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1cc[nH+]cc1 ZINC000580274043 839166721 /nfs/dbraw/zinc/16/67/21/839166721.db2.gz WJCBFACYLGSZML-UHFFFAOYSA-N 2 2 375.476 3.746 20 0 GHADLP CCCC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1cc(C)on1 ZINC000066608730 839349365 /nfs/dbraw/zinc/34/93/65/839349365.db2.gz AFMJIYRSLNGHBK-FQEVSTJZSA-N 2 2 384.524 3.735 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000683900181 839361614 /nfs/dbraw/zinc/36/16/14/839361614.db2.gz MKPFKHUDUWOESK-HXUWFJFHSA-N 2 2 379.508 3.588 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)c2ccccc21 ZINC000549236457 839435634 /nfs/dbraw/zinc/43/56/34/839435634.db2.gz AQTQGFXZQHVCGP-NHCUHLMSSA-N 2 2 388.552 3.647 20 0 GHADLP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)[NH+]1CCCCC1 ZINC000580463000 839598586 /nfs/dbraw/zinc/59/85/86/839598586.db2.gz YPPBCIPABZDEOA-IFMALSPDSA-N 2 2 383.536 3.737 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=S)Nc3ccc4ccccc4c3)CC2)CC1 ZINC000050254765 839656949 /nfs/dbraw/zinc/65/69/49/839656949.db2.gz YRVAPKQBZCWKEX-UHFFFAOYSA-N 2 2 382.577 3.685 20 0 GHADLP CC(=O)N(c1nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cs1)c1ccc(C)cc1 ZINC000580647889 839944523 /nfs/dbraw/zinc/94/45/23/839944523.db2.gz ZXLHYXADNHCJKJ-LJQANCHMSA-N 2 2 398.576 3.958 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001167429858 839996092 /nfs/dbraw/zinc/99/60/92/839996092.db2.gz NOJLVPPJLBYCLG-HBMCJLEFSA-N 2 2 397.607 3.939 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001167429858 839996101 /nfs/dbraw/zinc/99/61/01/839996101.db2.gz NOJLVPPJLBYCLG-HBMCJLEFSA-N 2 2 397.607 3.939 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000429800710 840176034 /nfs/dbraw/zinc/17/60/34/840176034.db2.gz JQYRIRUSTWQBME-KDOFPFPSSA-N 2 2 386.367 3.614 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000429800710 840176038 /nfs/dbraw/zinc/17/60/38/840176038.db2.gz JQYRIRUSTWQBME-KDOFPFPSSA-N 2 2 386.367 3.614 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000429800710 840176042 /nfs/dbraw/zinc/17/60/42/840176042.db2.gz JQYRIRUSTWQBME-KDOFPFPSSA-N 2 2 386.367 3.614 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000429800710 840176047 /nfs/dbraw/zinc/17/60/47/840176047.db2.gz JQYRIRUSTWQBME-KDOFPFPSSA-N 2 2 386.367 3.614 20 0 GHADLP Cn1ncc2c1nc[nH+]c2NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000390644381 840250181 /nfs/dbraw/zinc/25/01/81/840250181.db2.gz NVMHWLDRMBCGOB-UHFFFAOYSA-N 2 2 386.503 3.868 20 0 GHADLP Brc1cnc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)s1 ZINC001279112119 840285957 /nfs/dbraw/zinc/28/59/57/840285957.db2.gz MYGZFEFMUQWJQD-OKILXGFUSA-N 2 2 395.370 3.578 20 0 GHADLP Brc1cnc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)s1 ZINC001279112119 840285959 /nfs/dbraw/zinc/28/59/59/840285959.db2.gz MYGZFEFMUQWJQD-OKILXGFUSA-N 2 2 395.370 3.578 20 0 GHADLP Brc1cnc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)s1 ZINC001279112119 840285970 /nfs/dbraw/zinc/28/59/70/840285970.db2.gz MYGZFEFMUQWJQD-OKILXGFUSA-N 2 2 395.370 3.578 20 0 GHADLP Brc1cnc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)s1 ZINC001279112119 840285977 /nfs/dbraw/zinc/28/59/77/840285977.db2.gz MYGZFEFMUQWJQD-OKILXGFUSA-N 2 2 395.370 3.578 20 0 GHADLP COC(=O)C[C@](C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1cccc(F)c1 ZINC000513127314 844533150 /nfs/dbraw/zinc/53/31/50/844533150.db2.gz GGKNHPPUJJRHFP-QFIPXVFZSA-N 2 2 381.451 3.888 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000511714679 840545432 /nfs/dbraw/zinc/54/54/32/840545432.db2.gz JQIAYFSFBCJDLW-QFIPXVFZSA-N 2 2 388.515 3.903 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000511714679 840545444 /nfs/dbraw/zinc/54/54/44/840545444.db2.gz JQIAYFSFBCJDLW-QFIPXVFZSA-N 2 2 388.515 3.903 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(Sc4ccccn4)o3)[nH+]c2)C1 ZINC000511743435 840618248 /nfs/dbraw/zinc/61/82/48/840618248.db2.gz SQUMVRXMIVTTQX-KRWDZBQOSA-N 2 2 395.532 3.973 20 0 GHADLP CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000660481564 840625053 /nfs/dbraw/zinc/62/50/53/840625053.db2.gz QYFDTQPLRXRWAM-RBUKOAKNSA-N 2 2 386.584 3.684 20 0 GHADLP CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000660481564 840625061 /nfs/dbraw/zinc/62/50/61/840625061.db2.gz QYFDTQPLRXRWAM-RBUKOAKNSA-N 2 2 386.584 3.684 20 0 GHADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000584802747 840915023 /nfs/dbraw/zinc/91/50/23/840915023.db2.gz JMJBOQARARQOFH-LRDDRELGSA-N 2 2 375.351 3.546 20 0 GHADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(F)c(Cl)c3Cl)CC2)CC1 ZINC000432915067 844591420 /nfs/dbraw/zinc/59/14/20/844591420.db2.gz FUMGGAXUMORIHW-UHFFFAOYSA-N 2 2 388.358 3.982 20 0 GHADLP O=C1Nc2ccccc2S[C@H]1CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000660245981 841053149 /nfs/dbraw/zinc/05/31/49/841053149.db2.gz XEENRGVVQNXIJX-FQEVSTJZSA-N 2 2 384.549 3.878 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000277093934 844616317 /nfs/dbraw/zinc/61/63/17/844616317.db2.gz VPKPSFWFXRYVOB-UHFFFAOYSA-N 2 2 399.583 3.909 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000603808840 861212077 /nfs/dbraw/zinc/21/20/77/861212077.db2.gz JPDQJDSDIDNMDM-LJQANCHMSA-N 2 2 388.393 3.727 20 0 GHADLP Cc1ncccc1OC[C@@H]1CCC[NH+]1Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000418143524 841563721 /nfs/dbraw/zinc/56/37/21/841563721.db2.gz PZLKFESCGNOTKH-KRWDZBQOSA-N 2 2 386.565 3.656 20 0 GHADLP Cc1ncccc1OC[C@@H]1CCC[NH+]1Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000418143524 841563732 /nfs/dbraw/zinc/56/37/32/841563732.db2.gz PZLKFESCGNOTKH-KRWDZBQOSA-N 2 2 386.565 3.656 20 0 GHADLP Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000418143524 841563743 /nfs/dbraw/zinc/56/37/43/841563743.db2.gz PZLKFESCGNOTKH-KRWDZBQOSA-N 2 2 386.565 3.656 20 0 GHADLP Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000418143524 841563755 /nfs/dbraw/zinc/56/37/55/841563755.db2.gz PZLKFESCGNOTKH-KRWDZBQOSA-N 2 2 386.565 3.656 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418365406 841892921 /nfs/dbraw/zinc/89/29/21/841892921.db2.gz XHNDNXQHKRCTPA-HXUWFJFHSA-N 2 2 385.556 3.691 20 0 GHADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430661941 842250148 /nfs/dbraw/zinc/25/01/48/842250148.db2.gz GVJDLHATALTHLH-RDTXWAMCSA-N 2 2 384.351 3.588 20 0 GHADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430661941 842250158 /nfs/dbraw/zinc/25/01/58/842250158.db2.gz GVJDLHATALTHLH-RDTXWAMCSA-N 2 2 384.351 3.588 20 0 GHADLP CC(=O)Nc1cc(Br)ccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000891562594 842332182 /nfs/dbraw/zinc/33/21/82/842332182.db2.gz XYYSSBVWUWVPIR-UHFFFAOYSA-N 2 2 382.346 3.712 20 0 GHADLP CC(=O)Nc1cc(Br)ccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000891562594 842332193 /nfs/dbraw/zinc/33/21/93/842332193.db2.gz XYYSSBVWUWVPIR-UHFFFAOYSA-N 2 2 382.346 3.712 20 0 GHADLP COc1cccc(OC)c1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000512087960 842455950 /nfs/dbraw/zinc/45/59/50/842455950.db2.gz MKEOUCHXLBPDQQ-ROUUACIJSA-N 2 2 384.520 3.603 20 0 GHADLP CCN1CC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000511943372 842508674 /nfs/dbraw/zinc/50/86/74/842508674.db2.gz NMWKSYJKOOSEDP-IEBWSBKVSA-N 2 2 396.963 3.922 20 0 GHADLP C[N@H+](Cc1ccccc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000548319219 842579867 /nfs/dbraw/zinc/57/98/67/842579867.db2.gz NEGWNUAURBWZIH-SFHVURJKSA-N 2 2 381.524 3.784 20 0 GHADLP C[N@@H+](Cc1ccccc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000548319219 842579874 /nfs/dbraw/zinc/57/98/74/842579874.db2.gz NEGWNUAURBWZIH-SFHVURJKSA-N 2 2 381.524 3.784 20 0 GHADLP C[NH2+]Cc1ccccc1CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000652599641 842816221 /nfs/dbraw/zinc/81/62/21/842816221.db2.gz KIKWEHCQXOBOAA-UHFFFAOYSA-N 2 2 389.503 3.928 20 0 GHADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000510654972 843138054 /nfs/dbraw/zinc/13/80/54/843138054.db2.gz DVSUWRXPHLDUFO-APWZRJJASA-N 2 2 399.501 3.559 20 0 GHADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000510654972 843138060 /nfs/dbraw/zinc/13/80/60/843138060.db2.gz DVSUWRXPHLDUFO-APWZRJJASA-N 2 2 399.501 3.559 20 0 GHADLP c1csc(-c2nc(C[NH+]3CCC(c4cc(C5CC[NH2+]CC5)n[nH]4)CC3)co2)c1 ZINC000662327661 843155704 /nfs/dbraw/zinc/15/57/04/843155704.db2.gz SSZWEETXTXUYKO-UHFFFAOYSA-N 2 2 397.548 3.973 20 0 GHADLP O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512284827 843319193 /nfs/dbraw/zinc/31/91/93/843319193.db2.gz DSPZQZIODVBQBZ-UPVQGACJSA-N 2 2 375.516 3.538 20 0 GHADLP O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512284827 843319202 /nfs/dbraw/zinc/31/92/02/843319202.db2.gz DSPZQZIODVBQBZ-UPVQGACJSA-N 2 2 375.516 3.538 20 0 GHADLP O=C1Nc2ccccc2CC[C@@H]1[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512284827 843319211 /nfs/dbraw/zinc/31/92/11/843319211.db2.gz DSPZQZIODVBQBZ-UPVQGACJSA-N 2 2 375.516 3.538 20 0 GHADLP O=C1Nc2ccccc2CC[C@@H]1[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512284827 843319222 /nfs/dbraw/zinc/31/92/22/843319222.db2.gz DSPZQZIODVBQBZ-UPVQGACJSA-N 2 2 375.516 3.538 20 0 GHADLP Cc1nc2c(cccc2C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000279856222 843434233 /nfs/dbraw/zinc/43/42/33/843434233.db2.gz BGERPKPNKUEELA-UXHICEINSA-N 2 2 398.551 3.545 20 0 GHADLP Cc1nc2c(cccc2C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000279856222 843434235 /nfs/dbraw/zinc/43/42/35/843434235.db2.gz BGERPKPNKUEELA-UXHICEINSA-N 2 2 398.551 3.545 20 0 GHADLP COC(=O)C[C@@](C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1cccc(OC)c1 ZINC000510768492 843448851 /nfs/dbraw/zinc/44/88/51/843448851.db2.gz YKVLZJKWFABSBU-HSZRJFAPSA-N 2 2 393.487 3.757 20 0 GHADLP Clc1ccc([C@H]2OCC[C@@H]2[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000510796054 843511697 /nfs/dbraw/zinc/51/16/97/843511697.db2.gz IYCZDFMGXPWFDP-XZOQPEGZSA-N 2 2 399.966 3.972 20 0 GHADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)n1 ZINC000431064494 843526247 /nfs/dbraw/zinc/52/62/47/843526247.db2.gz DMNUCYFXDJNAMF-UHFFFAOYSA-N 2 2 391.928 3.906 20 0 GHADLP CCC[N@H+](CC(=O)Nc1ccc(OCc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000431088377 843580554 /nfs/dbraw/zinc/58/05/54/843580554.db2.gz WETXGVYVOIJYDD-UHFFFAOYSA-N 2 2 381.520 3.668 20 0 GHADLP CCC[N@@H+](CC(=O)Nc1ccc(OCc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000431088377 843580563 /nfs/dbraw/zinc/58/05/63/843580563.db2.gz WETXGVYVOIJYDD-UHFFFAOYSA-N 2 2 381.520 3.668 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(F)c1 ZINC000278899345 843635553 /nfs/dbraw/zinc/63/55/53/843635553.db2.gz PCMNQCTYJPACGH-INIZCTEOSA-N 2 2 384.499 3.874 20 0 GHADLP CC(C)CC[C@@H](O)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510889359 843736728 /nfs/dbraw/zinc/73/67/28/843736728.db2.gz WDWZKVWOQMVGIO-OAHLLOKOSA-N 2 2 384.318 3.538 20 0 GHADLP CC(C)CC[C@@H](O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510889359 843736733 /nfs/dbraw/zinc/73/67/33/843736733.db2.gz WDWZKVWOQMVGIO-OAHLLOKOSA-N 2 2 384.318 3.538 20 0 GHADLP C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000500727269 843894359 /nfs/dbraw/zinc/89/43/59/843894359.db2.gz AZVBYEFOZYUBCE-TZIWHRDSSA-N 2 2 398.595 3.523 20 0 GHADLP Cc1ccc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000535855298 844803133 /nfs/dbraw/zinc/80/31/33/844803133.db2.gz NFSOTAAIEBPTPO-PKTZIBPZSA-N 2 2 396.579 3.886 20 0 GHADLP Cc1ccc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000535855298 844803138 /nfs/dbraw/zinc/80/31/38/844803138.db2.gz NFSOTAAIEBPTPO-PKTZIBPZSA-N 2 2 396.579 3.886 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4ccc(N5CCOCC5)c[nH+]4)[C@H]3C2)cc1 ZINC000512626502 844805642 /nfs/dbraw/zinc/80/56/42/844805642.db2.gz UVDGDAJKXFYMSL-ACIOBRDBSA-N 2 2 392.547 3.631 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](Nc4ccc(N5CCOCC5)c[nH+]4)[C@H]3C2)cc1 ZINC000512626502 844805646 /nfs/dbraw/zinc/80/56/46/844805646.db2.gz UVDGDAJKXFYMSL-ACIOBRDBSA-N 2 2 392.547 3.631 20 0 GHADLP CC[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535876153 844962595 /nfs/dbraw/zinc/96/25/95/844962595.db2.gz MDXNEGBTGAZFKN-HZEGPAAWSA-N 2 2 378.605 3.544 20 0 GHADLP CC[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535876153 844962599 /nfs/dbraw/zinc/96/25/99/844962599.db2.gz MDXNEGBTGAZFKN-HZEGPAAWSA-N 2 2 378.605 3.544 20 0 GHADLP c1c2ccccc2oc1C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512701139 845087879 /nfs/dbraw/zinc/08/78/79/845087879.db2.gz JBHDIJDMSBLGTH-FQEVSTJZSA-N 2 2 390.531 3.862 20 0 GHADLP c1c2ccccc2oc1C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512701139 845087884 /nfs/dbraw/zinc/08/78/84/845087884.db2.gz JBHDIJDMSBLGTH-FQEVSTJZSA-N 2 2 390.531 3.862 20 0 GHADLP CCCCOc1ccc(-c2ccc(-c3noc([C@H]4C[NH2+]C[C@@H]4[NH3+])n3)cc2)cc1 ZINC001211755275 845127502 /nfs/dbraw/zinc/12/75/02/845127502.db2.gz FAPRBSHNUGFZKW-PMACEKPBSA-N 2 2 378.476 3.597 20 0 GHADLP Cn1nccc1-c1ccccc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000512781970 845502087 /nfs/dbraw/zinc/50/20/87/845502087.db2.gz ASUYTNDFCXWBTH-REWPJTCUSA-N 2 2 375.520 3.607 20 0 GHADLP Cn1nccc1-c1ccccc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000512781970 845502099 /nfs/dbraw/zinc/50/20/99/845502099.db2.gz ASUYTNDFCXWBTH-REWPJTCUSA-N 2 2 375.520 3.607 20 0 GHADLP Cn1nccc1-c1ccccc1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000512781970 845502106 /nfs/dbraw/zinc/50/21/06/845502106.db2.gz ASUYTNDFCXWBTH-REWPJTCUSA-N 2 2 375.520 3.607 20 0 GHADLP Cn1nccc1-c1ccccc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000512781970 845502114 /nfs/dbraw/zinc/50/21/14/845502114.db2.gz ASUYTNDFCXWBTH-REWPJTCUSA-N 2 2 375.520 3.607 20 0 GHADLP COc1cccc(C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)c1 ZINC000513531570 845626606 /nfs/dbraw/zinc/62/66/06/845626606.db2.gz HTYRNCWBEVUAQZ-XMMPIXPASA-N 2 2 380.532 3.638 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2NC(C)=O)C[C@H]1C ZINC000892103638 845805126 /nfs/dbraw/zinc/80/51/26/845805126.db2.gz LJMXZAGKZMSRTQ-CXAGYDPISA-N 2 2 382.346 3.712 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2NC(C)=O)C[C@H]1C ZINC000892103638 845805133 /nfs/dbraw/zinc/80/51/33/845805133.db2.gz LJMXZAGKZMSRTQ-CXAGYDPISA-N 2 2 382.346 3.712 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2NC(C)=O)C[C@H]1C ZINC000892103638 845805140 /nfs/dbraw/zinc/80/51/40/845805140.db2.gz LJMXZAGKZMSRTQ-CXAGYDPISA-N 2 2 382.346 3.712 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2NC(C)=O)C[C@H]1C ZINC000892103638 845805144 /nfs/dbraw/zinc/80/51/44/845805144.db2.gz LJMXZAGKZMSRTQ-CXAGYDPISA-N 2 2 382.346 3.712 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2NC(C)=O)C[C@@H]1C ZINC000892103640 845805308 /nfs/dbraw/zinc/80/53/08/845805308.db2.gz LJMXZAGKZMSRTQ-GUYCJALGSA-N 2 2 382.346 3.712 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2NC(C)=O)C[C@@H]1C ZINC000892103640 845805316 /nfs/dbraw/zinc/80/53/16/845805316.db2.gz LJMXZAGKZMSRTQ-GUYCJALGSA-N 2 2 382.346 3.712 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2NC(C)=O)C[C@@H]1C ZINC000892103640 845805321 /nfs/dbraw/zinc/80/53/21/845805321.db2.gz LJMXZAGKZMSRTQ-GUYCJALGSA-N 2 2 382.346 3.712 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2NC(C)=O)C[C@@H]1C ZINC000892103640 845805324 /nfs/dbraw/zinc/80/53/24/845805324.db2.gz LJMXZAGKZMSRTQ-GUYCJALGSA-N 2 2 382.346 3.712 20 0 GHADLP CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000431316081 845835091 /nfs/dbraw/zinc/83/50/91/845835091.db2.gz BJQCEYZBFCPFQN-BJESRGMDSA-N 2 2 398.595 3.521 20 0 GHADLP CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000431316081 845835094 /nfs/dbraw/zinc/83/50/94/845835094.db2.gz BJQCEYZBFCPFQN-BJESRGMDSA-N 2 2 398.595 3.521 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000124649873 846004252 /nfs/dbraw/zinc/00/42/52/846004252.db2.gz AGGZBYDLWNORJQ-UXHICEINSA-N 2 2 377.598 3.774 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000124649873 846004259 /nfs/dbraw/zinc/00/42/59/846004259.db2.gz AGGZBYDLWNORJQ-UXHICEINSA-N 2 2 377.598 3.774 20 0 GHADLP CC(C)c1nn(-c2ccccc2)cc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000513659861 846226219 /nfs/dbraw/zinc/22/62/19/846226219.db2.gz DQGNNDFGNFZLFD-HSZRJFAPSA-N 2 2 395.595 3.598 20 0 GHADLP CC(C)c1nn(-c2ccccc2)cc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000513659861 846226222 /nfs/dbraw/zinc/22/62/22/846226222.db2.gz DQGNNDFGNFZLFD-HSZRJFAPSA-N 2 2 395.595 3.598 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000582091694 846288952 /nfs/dbraw/zinc/28/89/52/846288952.db2.gz FQOJMXJYDHPHLE-RPWUZVMVSA-N 2 2 386.543 3.885 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000582091694 846288961 /nfs/dbraw/zinc/28/89/61/846288961.db2.gz FQOJMXJYDHPHLE-RPWUZVMVSA-N 2 2 386.543 3.885 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000582091694 846288971 /nfs/dbraw/zinc/28/89/71/846288971.db2.gz FQOJMXJYDHPHLE-RPWUZVMVSA-N 2 2 386.543 3.885 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000582091694 846288977 /nfs/dbraw/zinc/28/89/77/846288977.db2.gz FQOJMXJYDHPHLE-RPWUZVMVSA-N 2 2 386.543 3.885 20 0 GHADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CCC[C@@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000509139323 861664386 /nfs/dbraw/zinc/66/43/86/861664386.db2.gz NNUNLGIIOAEVMR-VWLOTQADSA-N 2 2 391.559 3.720 20 0 GHADLP c1ccc(N2CC[NH+](CCC[N@H+]3CCC[C@@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000509139323 861664393 /nfs/dbraw/zinc/66/43/93/861664393.db2.gz NNUNLGIIOAEVMR-VWLOTQADSA-N 2 2 391.559 3.720 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000501109638 846650796 /nfs/dbraw/zinc/65/07/96/846650796.db2.gz JFZSJKIPNVESKZ-QZTJIDSGSA-N 2 2 386.971 3.879 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc([C@@H]4C[C@@H]4C)o3)CC2)CC1 ZINC000422028074 846758883 /nfs/dbraw/zinc/75/88/83/846758883.db2.gz XEXOAAFZKUTMQS-FYZZASKESA-N 2 2 399.579 3.525 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc([C@@H]4C[C@@H]4C)o3)CC2)CC1 ZINC000422028074 846758892 /nfs/dbraw/zinc/75/88/92/846758892.db2.gz XEXOAAFZKUTMQS-FYZZASKESA-N 2 2 399.579 3.525 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)NCC2(c3ccc(F)cc3)CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000503053406 846769680 /nfs/dbraw/zinc/76/96/80/846769680.db2.gz PKRGHVBZYUJQHW-NQIIRXRSSA-N 2 2 398.526 3.533 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2(c3ccc(F)cc3)CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000503053406 846769688 /nfs/dbraw/zinc/76/96/88/846769688.db2.gz PKRGHVBZYUJQHW-NQIIRXRSSA-N 2 2 398.526 3.533 20 0 GHADLP Cc1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c(OCC(F)(F)F)c1 ZINC000657396057 846914670 /nfs/dbraw/zinc/91/46/70/846914670.db2.gz FEABESGBDKRWRO-UHFFFAOYSA-N 2 2 376.382 3.807 20 0 GHADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000577284773 846961125 /nfs/dbraw/zinc/96/11/25/846961125.db2.gz XGIABBJMVIHMLF-IBGZPJMESA-N 2 2 397.567 3.631 20 0 GHADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000577284773 846961133 /nfs/dbraw/zinc/96/11/33/846961133.db2.gz XGIABBJMVIHMLF-IBGZPJMESA-N 2 2 397.567 3.631 20 0 GHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000272101263 846991218 /nfs/dbraw/zinc/99/12/18/846991218.db2.gz ZRNOXAZCYKMJQM-KRWDZBQOSA-N 2 2 380.467 3.944 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccc(Cl)cc1Cl ZINC000647899415 847079864 /nfs/dbraw/zinc/07/98/64/847079864.db2.gz JQHQXVHYSBBZAW-PMUMKWKESA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccc(Cl)cc1Cl ZINC000647899415 847079873 /nfs/dbraw/zinc/07/98/73/847079873.db2.gz JQHQXVHYSBBZAW-PMUMKWKESA-N 2 2 384.351 3.635 20 0 GHADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000420352071 847134127 /nfs/dbraw/zinc/13/41/27/847134127.db2.gz AKLNTCCELJTZIW-UYAOXDASSA-N 2 2 396.362 3.732 20 0 GHADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000420352071 847134133 /nfs/dbraw/zinc/13/41/33/847134133.db2.gz AKLNTCCELJTZIW-UYAOXDASSA-N 2 2 396.362 3.732 20 0 GHADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000420377039 847147392 /nfs/dbraw/zinc/14/73/92/847147392.db2.gz VYFHNSVGLCRNGJ-CYBMUJFWSA-N 2 2 397.363 3.640 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N1c2ccccc2CCc2ccccc21 ZINC000420412412 847174982 /nfs/dbraw/zinc/17/49/82/847174982.db2.gz ZBLCSPYAPGXLLV-FGZHOGPDSA-N 2 2 389.543 3.914 20 0 GHADLP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N1c2ccccc2CCc2ccccc21 ZINC000420412412 847174986 /nfs/dbraw/zinc/17/49/86/847174986.db2.gz ZBLCSPYAPGXLLV-FGZHOGPDSA-N 2 2 389.543 3.914 20 0 GHADLP CC(C)Cc1ccc(CCCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000513777193 847203699 /nfs/dbraw/zinc/20/36/99/847203699.db2.gz QUQBDJSMAIZTDA-UHFFFAOYSA-N 2 2 387.612 3.692 20 0 GHADLP CC(C)Cc1ccc(CCCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000513777193 847203708 /nfs/dbraw/zinc/20/37/08/847203708.db2.gz QUQBDJSMAIZTDA-UHFFFAOYSA-N 2 2 387.612 3.692 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NCC[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)ccn12 ZINC000582495519 847409524 /nfs/dbraw/zinc/40/95/24/847409524.db2.gz KULLQBSIUUSSQD-YLJYHZDGSA-N 2 2 376.504 3.673 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NCC[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)ccn12 ZINC000582495519 847409532 /nfs/dbraw/zinc/40/95/32/847409532.db2.gz KULLQBSIUUSSQD-YLJYHZDGSA-N 2 2 376.504 3.673 20 0 GHADLP CCc1cc(N2CCC([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2)ncn1 ZINC000159083586 847476310 /nfs/dbraw/zinc/47/63/10/847476310.db2.gz WHXIULHUKVAAEY-QGZVFWFLSA-N 2 2 376.508 3.544 20 0 GHADLP COc1cccc(NC2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)c1 ZINC000420914346 847532577 /nfs/dbraw/zinc/53/25/77/847532577.db2.gz JPKVBQPXVBZOAY-UHFFFAOYSA-N 2 2 395.547 3.604 20 0 GHADLP c1ccc([C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)[C@H]3CCOC[C@H]23)cc1 ZINC000420959591 847580875 /nfs/dbraw/zinc/58/08/75/847580875.db2.gz GRYIAKGQJNMYRM-GVAUOCQISA-N 2 2 392.543 3.523 20 0 GHADLP c1ccc([C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)[C@H]3CCOC[C@H]23)cc1 ZINC000420959591 847580885 /nfs/dbraw/zinc/58/08/85/847580885.db2.gz GRYIAKGQJNMYRM-GVAUOCQISA-N 2 2 392.543 3.523 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N(Cc1ccccc1)C1CC1 ZINC000503380578 847654992 /nfs/dbraw/zinc/65/49/92/847654992.db2.gz XHGGPVOQTJWYOL-FQEVSTJZSA-N 2 2 392.547 3.590 20 0 GHADLP O=C(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N(Cc1ccccc1)C1CC1 ZINC000503380578 847654999 /nfs/dbraw/zinc/65/49/99/847654999.db2.gz XHGGPVOQTJWYOL-FQEVSTJZSA-N 2 2 392.547 3.590 20 0 GHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657477298 847676129 /nfs/dbraw/zinc/67/61/29/847676129.db2.gz SEYRMTLDDUPHFI-GOSISDBHSA-N 2 2 383.879 3.983 20 0 GHADLP CCCOc1ccc(Oc2ncccc2C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000422697968 847772462 /nfs/dbraw/zinc/77/24/62/847772462.db2.gz WZMMVXYIQDDOFV-PKOBYXMFSA-N 2 2 385.508 3.519 20 0 GHADLP C[C@H](COCc1ccccc1)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001167590551 847805308 /nfs/dbraw/zinc/80/53/08/847805308.db2.gz VSRFBUMEXCQZAU-NRFANRHFSA-N 2 2 381.564 3.873 20 0 GHADLP C[C@H](COCc1ccccc1)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001167590551 847805315 /nfs/dbraw/zinc/80/53/15/847805315.db2.gz VSRFBUMEXCQZAU-NRFANRHFSA-N 2 2 381.564 3.873 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422877779 847865910 /nfs/dbraw/zinc/86/59/10/847865910.db2.gz IKFRIMUPMXTJKT-GCJKJVERSA-N 2 2 381.520 3.714 20 0 GHADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000423009366 847936178 /nfs/dbraw/zinc/93/61/78/847936178.db2.gz VJWWRCFRCDTSHW-YADARESESA-N 3 2 377.532 3.960 20 0 GHADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000423009366 847936187 /nfs/dbraw/zinc/93/61/87/847936187.db2.gz VJWWRCFRCDTSHW-YADARESESA-N 3 2 377.532 3.960 20 0 GHADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000423009366 847936193 /nfs/dbraw/zinc/93/61/93/847936193.db2.gz VJWWRCFRCDTSHW-YADARESESA-N 2 2 377.532 3.960 20 0 GHADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000423009366 847936196 /nfs/dbraw/zinc/93/61/96/847936196.db2.gz VJWWRCFRCDTSHW-YADARESESA-N 2 2 377.532 3.960 20 0 GHADLP CCO[C@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CC1 ZINC000625421251 861855377 /nfs/dbraw/zinc/85/53/77/861855377.db2.gz UWSHIXCXHGOVCH-MRXNPFEDSA-N 2 2 382.302 3.556 20 0 GHADLP CCO[C@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CC1 ZINC000625421251 861855395 /nfs/dbraw/zinc/85/53/95/861855395.db2.gz UWSHIXCXHGOVCH-MRXNPFEDSA-N 2 2 382.302 3.556 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000657613487 848327011 /nfs/dbraw/zinc/32/70/11/848327011.db2.gz LHAVMTDZPULLFG-XMMPIXPASA-N 3 2 392.591 3.936 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000657613487 848327021 /nfs/dbraw/zinc/32/70/21/848327021.db2.gz LHAVMTDZPULLFG-XMMPIXPASA-N 3 2 392.591 3.936 20 0 GHADLP C[C@H]([NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1nnc2n1CCCCC2 ZINC000582940826 848728050 /nfs/dbraw/zinc/72/80/50/848728050.db2.gz HXQDCGMUDGTFJT-HKUYNNGSSA-N 2 2 395.551 3.643 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000472275769 848911884 /nfs/dbraw/zinc/91/18/84/848911884.db2.gz JQQPEHGBUWVWBQ-JKSUJKDBSA-N 2 2 380.483 3.925 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000472275769 848911889 /nfs/dbraw/zinc/91/18/89/848911889.db2.gz JQQPEHGBUWVWBQ-JKSUJKDBSA-N 2 2 380.483 3.925 20 0 GHADLP CC(C)C[C@H](CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000535933468 849088987 /nfs/dbraw/zinc/08/89/87/849088987.db2.gz ZPFFWNGKHZYKST-CEWLAPEOSA-N 2 2 397.567 3.685 20 0 GHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000583114383 849095346 /nfs/dbraw/zinc/09/53/46/849095346.db2.gz JJQLQCPBLYBMDS-JOCHJYFZSA-N 2 2 394.563 3.589 20 0 GHADLP CN(C(=O)c1cncc2ccccc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124645403 849360516 /nfs/dbraw/zinc/36/05/16/849360516.db2.gz ZBSHWAIVACHCKZ-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cncc2ccccc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124645403 849360521 /nfs/dbraw/zinc/36/05/21/849360521.db2.gz ZBSHWAIVACHCKZ-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP CC(C)Cc1ccc([C@H](CNC(=O)NCc2c[nH+]c3n2CCCC3)[NH+](C)C)cc1 ZINC000583281730 849527633 /nfs/dbraw/zinc/52/76/33/849527633.db2.gz GHELRLHSQIFFKH-NRFANRHFSA-N 2 2 397.567 3.520 20 0 GHADLP Cc1nc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)sc1Br ZINC000423162557 849778211 /nfs/dbraw/zinc/77/82/11/849778211.db2.gz UBJDSPRICAMKGW-SUMWQHHRSA-N 2 2 394.338 3.560 20 0 GHADLP COc1ccc([C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2ccc(F)cc2)cc1 ZINC000423230332 849818317 /nfs/dbraw/zinc/81/83/17/849818317.db2.gz IZDREVKCDQFSNY-QHCPKHFHSA-N 2 2 392.478 3.840 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000423241247 849824477 /nfs/dbraw/zinc/82/44/77/849824477.db2.gz LEORJRRPVTZWPR-IIBYNOLFSA-N 2 2 389.565 3.922 20 0 GHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000423245686 849826663 /nfs/dbraw/zinc/82/66/63/849826663.db2.gz PEXFVHKLLXSXHM-YWZLYKJASA-N 2 2 375.538 3.532 20 0 GHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000423248030 849829395 /nfs/dbraw/zinc/82/93/95/849829395.db2.gz RHYKWNXPSNLAFW-MGPUTAFESA-N 2 2 375.538 3.532 20 0 GHADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)c1ccc(OC)c(OC)c1 ZINC000423337559 849871889 /nfs/dbraw/zinc/87/18/89/849871889.db2.gz RDPPOFCSKHKUQH-ACRUOGEOSA-N 2 2 384.520 3.899 20 0 GHADLP COc1ccc(C[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1OC ZINC000423379376 849892008 /nfs/dbraw/zinc/89/20/08/849892008.db2.gz XKNDGNADGFOVOK-VHFSOBRXSA-N 2 2 390.474 3.648 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CC[NH2+]1 ZINC000423404178 849910890 /nfs/dbraw/zinc/91/08/90/849910890.db2.gz YZJVQYFLGIFKQY-DJKXOVBDSA-N 2 2 392.952 3.563 20 0 GHADLP C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000425252911 849941188 /nfs/dbraw/zinc/94/11/88/849941188.db2.gz IEUZXNJYALNPFB-RBDMOPTHSA-N 2 2 376.504 3.739 20 0 GHADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000504239267 849982550 /nfs/dbraw/zinc/98/25/50/849982550.db2.gz KQORXWMZLLAZMA-JENIJYKNSA-N 2 2 385.474 3.522 20 0 GHADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000504239267 849982555 /nfs/dbraw/zinc/98/25/55/849982555.db2.gz KQORXWMZLLAZMA-JENIJYKNSA-N 2 2 385.474 3.522 20 0 GHADLP COC(=O)c1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)c(C)o1 ZINC000518778430 850084783 /nfs/dbraw/zinc/08/47/83/850084783.db2.gz NZPSJOWHAYGOIR-MRXNPFEDSA-N 2 2 376.522 3.698 20 0 GHADLP COC(=O)c1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)c(C)o1 ZINC000518778430 850084795 /nfs/dbraw/zinc/08/47/95/850084795.db2.gz NZPSJOWHAYGOIR-MRXNPFEDSA-N 2 2 376.522 3.698 20 0 GHADLP COC(=O)c1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)c(C)o1 ZINC000518778430 850084803 /nfs/dbraw/zinc/08/48/03/850084803.db2.gz NZPSJOWHAYGOIR-MRXNPFEDSA-N 2 2 376.522 3.698 20 0 GHADLP COC(=O)c1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c(C)o1 ZINC000518778430 850084813 /nfs/dbraw/zinc/08/48/13/850084813.db2.gz NZPSJOWHAYGOIR-MRXNPFEDSA-N 2 2 376.522 3.698 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)CC1 ZINC000514710832 850199989 /nfs/dbraw/zinc/19/99/89/850199989.db2.gz GEOFQFHDWDVIDX-QUCCMNQESA-N 2 2 383.561 3.790 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccs2)CC1 ZINC000514710832 850199996 /nfs/dbraw/zinc/19/99/96/850199996.db2.gz GEOFQFHDWDVIDX-QUCCMNQESA-N 2 2 383.561 3.790 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000424163539 850270403 /nfs/dbraw/zinc/27/04/03/850270403.db2.gz VJUGRGKZILMARW-CQSZACIVSA-N 2 2 375.419 3.718 20 0 GHADLP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000424431662 850464322 /nfs/dbraw/zinc/46/43/22/850464322.db2.gz GGLATVMZKFLGDW-MRXNPFEDSA-N 2 2 388.462 3.518 20 0 GHADLP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000424431662 850464327 /nfs/dbraw/zinc/46/43/27/850464327.db2.gz GGLATVMZKFLGDW-MRXNPFEDSA-N 2 2 388.462 3.518 20 0 GHADLP Cc1ccc(COc2ccc(C[NH+]3CCC([N@@H+]4CC[C@H](O)C4)CC3)cc2)cc1 ZINC000668741349 850493359 /nfs/dbraw/zinc/49/33/59/850493359.db2.gz QGZCMHJLXRPUJG-QHCPKHFHSA-N 2 2 380.532 3.605 20 0 GHADLP Cc1ccc(COc2ccc(C[NH+]3CCC([N@H+]4CC[C@H](O)C4)CC3)cc2)cc1 ZINC000668741349 850493367 /nfs/dbraw/zinc/49/33/67/850493367.db2.gz QGZCMHJLXRPUJG-QHCPKHFHSA-N 2 2 380.532 3.605 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1ccc(OC)c(Cl)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435426420 850508554 /nfs/dbraw/zinc/50/85/54/850508554.db2.gz HZHDHAWYACVCRR-LJQANCHMSA-N 2 2 388.943 3.709 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1ccc(OC)c(Cl)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435426420 850508563 /nfs/dbraw/zinc/50/85/63/850508563.db2.gz HZHDHAWYACVCRR-LJQANCHMSA-N 2 2 388.943 3.709 20 0 GHADLP Cc1ncsc1C[N@@H+](Cc1ccc(OCC(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435428280 850512572 /nfs/dbraw/zinc/51/25/72/850512572.db2.gz RGXTXWWKRPYPDK-MRXNPFEDSA-N 2 2 381.492 3.707 20 0 GHADLP Cc1ncsc1C[N@H+](Cc1ccc(OCC(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435428280 850512577 /nfs/dbraw/zinc/51/25/77/850512577.db2.gz RGXTXWWKRPYPDK-MRXNPFEDSA-N 2 2 381.492 3.707 20 0 GHADLP CC[C@@H]1C[N@H+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000647940229 850535856 /nfs/dbraw/zinc/53/58/56/850535856.db2.gz PYTNTRMUHAIZBY-BUVFEPMLSA-N 2 2 385.939 3.605 20 0 GHADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000647940229 850535863 /nfs/dbraw/zinc/53/58/63/850535863.db2.gz PYTNTRMUHAIZBY-BUVFEPMLSA-N 2 2 385.939 3.605 20 0 GHADLP CC(C)[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@@H+]1C ZINC000515104689 850680916 /nfs/dbraw/zinc/68/09/16/850680916.db2.gz SWCMLQQZYYOXOC-HXUWFJFHSA-N 2 2 381.524 3.690 20 0 GHADLP CC(C)[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@H+]1C ZINC000515104689 850680922 /nfs/dbraw/zinc/68/09/22/850680922.db2.gz SWCMLQQZYYOXOC-HXUWFJFHSA-N 2 2 381.524 3.690 20 0 GHADLP CC[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435622766 850707672 /nfs/dbraw/zinc/70/76/72/850707672.db2.gz ANZQVAXZMAWHJK-ZDUSSCGKSA-N 2 2 388.737 3.505 20 0 GHADLP CC[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435622766 850707677 /nfs/dbraw/zinc/70/76/77/850707677.db2.gz ANZQVAXZMAWHJK-ZDUSSCGKSA-N 2 2 388.737 3.505 20 0 GHADLP COc1ccc(C)cc1NC(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435690275 850770036 /nfs/dbraw/zinc/77/00/36/850770036.db2.gz ACHFCDFGSAPKGE-HXUWFJFHSA-N 2 2 399.560 3.648 20 0 GHADLP COc1ccc(C)cc1NC(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435690275 850770048 /nfs/dbraw/zinc/77/00/48/850770048.db2.gz ACHFCDFGSAPKGE-HXUWFJFHSA-N 2 2 399.560 3.648 20 0 GHADLP COc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1OCc1ccccc1 ZINC000668784923 850780958 /nfs/dbraw/zinc/78/09/58/850780958.db2.gz KRFGCZQWKQFGFY-QFIPXVFZSA-N 2 2 398.547 3.817 20 0 GHADLP COc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1OCc1ccccc1 ZINC000668784923 850780967 /nfs/dbraw/zinc/78/09/67/850780967.db2.gz KRFGCZQWKQFGFY-QFIPXVFZSA-N 2 2 398.547 3.817 20 0 GHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccc5c(c4)CCC5)C3)CC2)nc1 ZINC000604383969 862168521 /nfs/dbraw/zinc/16/85/21/862168521.db2.gz NLJSHBGCWYXQCM-QFIPXVFZSA-N 2 2 390.575 3.605 20 0 GHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccc5c(c4)CCC5)C3)CC2)nc1 ZINC000604383969 862168522 /nfs/dbraw/zinc/16/85/22/862168522.db2.gz NLJSHBGCWYXQCM-QFIPXVFZSA-N 2 2 390.575 3.605 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414840578 850920931 /nfs/dbraw/zinc/92/09/31/850920931.db2.gz XGVXPVZYTUFJAY-DYVFJYSZSA-N 2 2 381.398 3.592 20 0 GHADLP CSc1cc(Br)ccc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414878110 851189289 /nfs/dbraw/zinc/18/92/89/851189289.db2.gz NJZUCSRCJLXQIZ-UHFFFAOYSA-N 2 2 380.355 3.836 20 0 GHADLP CN(C(=O)[C@@H]1CC2CCC1CC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489135533 852054683 /nfs/dbraw/zinc/05/46/83/852054683.db2.gz ZVIXUMHOFPHJLT-UPJCBYLFSA-N 2 2 375.601 3.608 20 0 GHADLP CN(C(=O)[C@@H]1CC2CCC1CC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489135533 852054687 /nfs/dbraw/zinc/05/46/87/852054687.db2.gz ZVIXUMHOFPHJLT-UPJCBYLFSA-N 2 2 375.601 3.608 20 0 GHADLP Cc1cc(Br)cn2c(CNc3c[nH+]ccc3-n3cccn3)c[nH+]c12 ZINC000517782321 852405878 /nfs/dbraw/zinc/40/58/78/852405878.db2.gz GBENJBUZAJZPAZ-UHFFFAOYSA-N 2 2 383.253 3.598 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](CCC(F)(F)F)CC2CC2)CC1 ZINC000438479453 852454725 /nfs/dbraw/zinc/45/47/25/852454725.db2.gz RUSMSIOPGGLLSQ-KRWDZBQOSA-N 2 2 397.485 3.556 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](CCC(F)(F)F)CC2CC2)CC1 ZINC000438479453 852454729 /nfs/dbraw/zinc/45/47/29/852454729.db2.gz RUSMSIOPGGLLSQ-KRWDZBQOSA-N 2 2 397.485 3.556 20 0 GHADLP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414941242 852706809 /nfs/dbraw/zinc/70/68/09/852706809.db2.gz LGFHEKFNIHUCRC-FDDCHVKYSA-N 2 2 375.516 3.567 20 0 GHADLP COC[C@@]1(C[NH2+]Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)CCC[NH2+]1 ZINC000414944391 852768298 /nfs/dbraw/zinc/76/82/98/852768298.db2.gz NXZZPMGBPBKZTL-NRFANRHFSA-N 2 2 390.959 3.817 20 0 GHADLP Brc1ccc(-c2ncc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)s2)cc1 ZINC000427146986 852773948 /nfs/dbraw/zinc/77/39/48/852773948.db2.gz ZEUCXSRUELACDA-BBRMVZONSA-N 2 2 378.339 3.756 20 0 GHADLP Brc1ccc(-c2ncc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)s2)cc1 ZINC000427146986 852773956 /nfs/dbraw/zinc/77/39/56/852773956.db2.gz ZEUCXSRUELACDA-BBRMVZONSA-N 2 2 378.339 3.756 20 0 GHADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000507663302 853163820 /nfs/dbraw/zinc/16/38/20/853163820.db2.gz AZNURQZFUVLMPA-AWEZNQCLSA-N 2 2 394.350 3.728 20 0 GHADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000507663302 853163826 /nfs/dbraw/zinc/16/38/26/853163826.db2.gz AZNURQZFUVLMPA-AWEZNQCLSA-N 2 2 394.350 3.728 20 0 GHADLP CC[C@H](C(=O)NC[C@H](C)[NH+]1CCc2sccc2C1)[N@H+](C)Cc1ccccc1 ZINC000516939607 853180796 /nfs/dbraw/zinc/18/07/96/853180796.db2.gz HKVBBWIIFCRDKF-FXAWDEMLSA-N 2 2 385.577 3.522 20 0 GHADLP CC[C@H](C(=O)NC[C@H](C)[NH+]1CCc2sccc2C1)[N@@H+](C)Cc1ccccc1 ZINC000516939607 853180800 /nfs/dbraw/zinc/18/08/00/853180800.db2.gz HKVBBWIIFCRDKF-FXAWDEMLSA-N 2 2 385.577 3.522 20 0 GHADLP CC[C@H](C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)[NH+](C)Cc1ccccc1 ZINC000516939607 853180808 /nfs/dbraw/zinc/18/08/08/853180808.db2.gz HKVBBWIIFCRDKF-FXAWDEMLSA-N 2 2 385.577 3.522 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccn4cc[nH+]c4c3)cc2)C1 ZINC000439047103 853233145 /nfs/dbraw/zinc/23/31/45/853233145.db2.gz MQPGPOKVPFBCHB-KRWDZBQOSA-N 2 2 377.492 3.888 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccn4cc[nH+]c4c3)cc2)C1 ZINC000439047103 853233151 /nfs/dbraw/zinc/23/31/51/853233151.db2.gz MQPGPOKVPFBCHB-KRWDZBQOSA-N 2 2 377.492 3.888 20 0 GHADLP Brc1ccn2cc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC000519671143 853379431 /nfs/dbraw/zinc/37/94/31/853379431.db2.gz JWDBKKHURICGRL-QGZVFWFLSA-N 2 2 399.336 3.709 20 0 GHADLP Brc1ccn2cc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)nc2c1 ZINC000519671143 853379439 /nfs/dbraw/zinc/37/94/39/853379439.db2.gz JWDBKKHURICGRL-QGZVFWFLSA-N 2 2 399.336 3.709 20 0 GHADLP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426325071 853438054 /nfs/dbraw/zinc/43/80/54/853438054.db2.gz SXARRDQJLUCNGG-IBGZPJMESA-N 2 2 396.362 3.701 20 0 GHADLP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426325071 853438060 /nfs/dbraw/zinc/43/80/60/853438060.db2.gz SXARRDQJLUCNGG-IBGZPJMESA-N 2 2 396.362 3.701 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c(C)c1 ZINC000440857291 853707003 /nfs/dbraw/zinc/70/70/03/853707003.db2.gz SFTNODSDKCCVFV-IFMALSPDSA-N 2 2 397.567 3.518 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c(C)c1 ZINC000440857291 853707009 /nfs/dbraw/zinc/70/70/09/853707009.db2.gz SFTNODSDKCCVFV-IFMALSPDSA-N 2 2 397.567 3.518 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000556049686 862493541 /nfs/dbraw/zinc/49/35/41/862493541.db2.gz KUSJOPASIIMCNS-UHFFFAOYSA-N 2 2 392.459 3.552 20 0 GHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000481914080 862511254 /nfs/dbraw/zinc/51/12/54/862511254.db2.gz JOBSJDJAHADQNB-OXQOHEQNSA-N 2 2 392.465 3.645 20 0 GHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000481914080 862511260 /nfs/dbraw/zinc/51/12/60/862511260.db2.gz JOBSJDJAHADQNB-OXQOHEQNSA-N 2 2 392.465 3.645 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1C ZINC000520191764 853941384 /nfs/dbraw/zinc/94/13/84/853941384.db2.gz WKLUFNYJTKNLQY-UYAOXDASSA-N 2 2 396.535 3.684 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1C ZINC000520191764 853941388 /nfs/dbraw/zinc/94/13/88/853941388.db2.gz WKLUFNYJTKNLQY-UYAOXDASSA-N 2 2 396.535 3.684 20 0 GHADLP COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441391184 854173518 /nfs/dbraw/zinc/17/35/18/854173518.db2.gz ZPVXETMGEKWGRU-WIYYLYMNSA-N 2 2 392.503 3.867 20 0 GHADLP CC(C)C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000441405709 854201192 /nfs/dbraw/zinc/20/11/92/854201192.db2.gz PWENRCHXWYEZFA-ACIOBRDBSA-N 2 2 383.580 3.839 20 0 GHADLP CC(C)C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000441405709 854201198 /nfs/dbraw/zinc/20/11/98/854201198.db2.gz PWENRCHXWYEZFA-ACIOBRDBSA-N 2 2 383.580 3.839 20 0 GHADLP CC(C)C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000441405709 854201204 /nfs/dbraw/zinc/20/12/04/854201204.db2.gz PWENRCHXWYEZFA-ACIOBRDBSA-N 2 2 383.580 3.839 20 0 GHADLP CC(C)C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000441405709 854201210 /nfs/dbraw/zinc/20/12/10/854201210.db2.gz PWENRCHXWYEZFA-ACIOBRDBSA-N 2 2 383.580 3.839 20 0 GHADLP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624015401 862584244 /nfs/dbraw/zinc/58/42/44/862584244.db2.gz WPLQMDPFNVJYQU-DOMZBBRYSA-N 2 2 391.865 3.528 20 0 GHADLP COc1c(Br)cccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000481993195 862587052 /nfs/dbraw/zinc/58/70/52/862587052.db2.gz NEPPZOGOUIVNAY-KSSFIOAISA-N 2 2 379.342 3.906 20 0 GHADLP COc1c(Br)cccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000481993195 862587065 /nfs/dbraw/zinc/58/70/65/862587065.db2.gz NEPPZOGOUIVNAY-KSSFIOAISA-N 2 2 379.342 3.906 20 0 GHADLP COc1c(Br)cccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000481993195 862587071 /nfs/dbraw/zinc/58/70/71/862587071.db2.gz NEPPZOGOUIVNAY-KSSFIOAISA-N 2 2 379.342 3.906 20 0 GHADLP COc1c(Br)cccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000481993195 862587080 /nfs/dbraw/zinc/58/70/80/862587080.db2.gz NEPPZOGOUIVNAY-KSSFIOAISA-N 2 2 379.342 3.906 20 0 GHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)([NH+]2CCCCC2)CC1 ZINC000465615441 854838500 /nfs/dbraw/zinc/83/85/00/854838500.db2.gz KNFMPERWKZYNBP-NJDAHSKKSA-N 2 2 390.616 3.595 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@@H+]3CCC[C@@H]3C3CCOCC3)CC2)cc1 ZINC001168613503 854868724 /nfs/dbraw/zinc/86/87/24/854868724.db2.gz QGNRWRUQNGNJMI-JOCHJYFZSA-N 2 2 391.987 3.743 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@H+]3CCC[C@@H]3C3CCOCC3)CC2)cc1 ZINC001168613503 854868731 /nfs/dbraw/zinc/86/87/31/854868731.db2.gz QGNRWRUQNGNJMI-JOCHJYFZSA-N 2 2 391.987 3.743 20 0 GHADLP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)o2)cc1 ZINC000481995475 862614056 /nfs/dbraw/zinc/61/40/56/862614056.db2.gz YHSCLXVZGCEPSB-FQEVSTJZSA-N 2 2 378.428 3.782 20 0 GHADLP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)o2)cc1 ZINC000481995475 862614067 /nfs/dbraw/zinc/61/40/67/862614067.db2.gz YHSCLXVZGCEPSB-FQEVSTJZSA-N 2 2 378.428 3.782 20 0 GHADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000482035607 862629509 /nfs/dbraw/zinc/62/95/09/862629509.db2.gz AYWQWDQXCKYPQK-MSOLQXFVSA-N 2 2 386.367 3.977 20 0 GHADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000482035607 862629514 /nfs/dbraw/zinc/62/95/14/862629514.db2.gz AYWQWDQXCKYPQK-MSOLQXFVSA-N 2 2 386.367 3.977 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000482014631 862630826 /nfs/dbraw/zinc/63/08/26/862630826.db2.gz HMSZAETVTJSTKD-MSOLQXFVSA-N 2 2 396.000 3.799 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000482014631 862630832 /nfs/dbraw/zinc/63/08/32/862630832.db2.gz HMSZAETVTJSTKD-MSOLQXFVSA-N 2 2 396.000 3.799 20 0 GHADLP C[C@@H](C[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000589705618 855116047 /nfs/dbraw/zinc/11/60/47/855116047.db2.gz HXNYGDRJFXWZIV-SFTDATJTSA-N 2 2 379.548 3.627 20 0 GHADLP C[C@@H](C[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000589705618 855116053 /nfs/dbraw/zinc/11/60/53/855116053.db2.gz HXNYGDRJFXWZIV-SFTDATJTSA-N 2 2 379.548 3.627 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000482049975 862642451 /nfs/dbraw/zinc/64/24/51/862642451.db2.gz QEEVTRRLGUHXLI-DHIUTWEWSA-N 2 2 379.548 3.503 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000482049975 862642454 /nfs/dbraw/zinc/64/24/54/862642454.db2.gz QEEVTRRLGUHXLI-DHIUTWEWSA-N 2 2 379.548 3.503 20 0 GHADLP Brc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000589836612 855158197 /nfs/dbraw/zinc/15/81/97/855158197.db2.gz VHIWIYXYDDDWFT-UHFFFAOYSA-N 2 2 394.382 3.813 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000589993851 855218540 /nfs/dbraw/zinc/21/85/40/855218540.db2.gz VZSUKURZOLZBAP-QFIPXVFZSA-N 2 2 383.511 3.553 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000589993851 855218542 /nfs/dbraw/zinc/21/85/42/855218542.db2.gz VZSUKURZOLZBAP-QFIPXVFZSA-N 2 2 383.511 3.553 20 0 GHADLP CC[NH+](C)[C@H](C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000589993851 855218546 /nfs/dbraw/zinc/21/85/46/855218546.db2.gz VZSUKURZOLZBAP-QFIPXVFZSA-N 2 2 383.511 3.553 20 0 GHADLP CC[NH+](C)[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000589993851 855218550 /nfs/dbraw/zinc/21/85/50/855218550.db2.gz VZSUKURZOLZBAP-QFIPXVFZSA-N 2 2 383.511 3.553 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)c(C)c1 ZINC000441507488 855534800 /nfs/dbraw/zinc/53/48/00/855534800.db2.gz VVLZQVPELBOLAH-YADHBBJMSA-N 2 2 397.567 3.661 20 0 GHADLP C[N@H+](Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000573045767 855702973 /nfs/dbraw/zinc/70/29/73/855702973.db2.gz BPFBQXXBJHVDBM-XNMUZJSGSA-N 2 2 378.944 3.955 20 0 GHADLP C[N@@H+](Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000573045767 855702977 /nfs/dbraw/zinc/70/29/77/855702977.db2.gz BPFBQXXBJHVDBM-XNMUZJSGSA-N 2 2 378.944 3.955 20 0 GHADLP C[NH+](Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000573045767 855702982 /nfs/dbraw/zinc/70/29/82/855702982.db2.gz BPFBQXXBJHVDBM-XNMUZJSGSA-N 2 2 378.944 3.955 20 0 GHADLP C[NH+](Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000573045767 855702988 /nfs/dbraw/zinc/70/29/88/855702988.db2.gz BPFBQXXBJHVDBM-XNMUZJSGSA-N 2 2 378.944 3.955 20 0 GHADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000459118512 855778776 /nfs/dbraw/zinc/77/87/76/855778776.db2.gz LURREUODQYAUBY-UIFIKXQLSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000459118512 855778783 /nfs/dbraw/zinc/77/87/83/855778783.db2.gz LURREUODQYAUBY-UIFIKXQLSA-N 2 2 378.605 3.544 20 0 GHADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)nc[nH+]1 ZINC000474719880 855796243 /nfs/dbraw/zinc/79/62/43/855796243.db2.gz NHHAAXBHOGAJCY-LBDPXKHJSA-N 2 2 385.478 3.834 20 0 GHADLP C[NH+]1CCC(CNC(=O)NCc2cccc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000465775799 855974649 /nfs/dbraw/zinc/97/46/49/855974649.db2.gz CKJGHQYRVCOJDR-UHFFFAOYSA-N 2 2 394.563 3.589 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000591429532 855975141 /nfs/dbraw/zinc/97/51/41/855975141.db2.gz IFWIJKFWKNCNFF-LAUBAEHRSA-N 2 2 385.577 3.694 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000591429532 855975147 /nfs/dbraw/zinc/97/51/47/855975147.db2.gz IFWIJKFWKNCNFF-LAUBAEHRSA-N 2 2 385.577 3.694 20 0 GHADLP CC[N@H+](C)[C@@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000591463316 856002560 /nfs/dbraw/zinc/00/25/60/856002560.db2.gz HSGZEQCHJAZNGS-PGRDOPGGSA-N 2 2 381.520 3.711 20 0 GHADLP CC[N@@H+](C)[C@@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000591463316 856002566 /nfs/dbraw/zinc/00/25/66/856002566.db2.gz HSGZEQCHJAZNGS-PGRDOPGGSA-N 2 2 381.520 3.711 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000591463314 856002639 /nfs/dbraw/zinc/00/26/39/856002639.db2.gz HSGZEQCHJAZNGS-AVRDEDQJSA-N 2 2 381.520 3.711 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000591463314 856002642 /nfs/dbraw/zinc/00/26/42/856002642.db2.gz HSGZEQCHJAZNGS-AVRDEDQJSA-N 2 2 381.520 3.711 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000030639042 856120139 /nfs/dbraw/zinc/12/01/39/856120139.db2.gz CCRPNXSEDRDIPB-UHFFFAOYSA-N 2 2 376.504 3.703 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c2)cs1 ZINC000674322520 856165542 /nfs/dbraw/zinc/16/55/42/856165542.db2.gz TUIKLHNEXMLAIX-GOSISDBHSA-N 2 2 381.505 3.591 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c2)cs1 ZINC000674322520 856165546 /nfs/dbraw/zinc/16/55/46/856165546.db2.gz TUIKLHNEXMLAIX-GOSISDBHSA-N 2 2 381.505 3.591 20 0 GHADLP CCN(CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000765755820 856185832 /nfs/dbraw/zinc/18/58/32/856185832.db2.gz YYGOHAJDCBRYOQ-UYAOXDASSA-N 2 2 390.572 3.529 20 0 GHADLP CCN(CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000765755820 856185838 /nfs/dbraw/zinc/18/58/38/856185838.db2.gz YYGOHAJDCBRYOQ-UYAOXDASSA-N 2 2 390.572 3.529 20 0 GHADLP c1ccc([C@H]2C[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CCCO2)cc1 ZINC000671680537 856352871 /nfs/dbraw/zinc/35/28/71/856352871.db2.gz KZLCOXVTXCFUSJ-XMMPIXPASA-N 2 2 379.548 3.662 20 0 GHADLP c1ccc([C@H]2C[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CCCO2)cc1 ZINC000671680537 856352877 /nfs/dbraw/zinc/35/28/77/856352877.db2.gz KZLCOXVTXCFUSJ-XMMPIXPASA-N 2 2 379.548 3.662 20 0 GHADLP Cc1ccc2nc(NC(=O)C[NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)sc2c1 ZINC000185685526 856419541 /nfs/dbraw/zinc/41/95/41/856419541.db2.gz YCERJGUZBFMRQU-JKSUJKDBSA-N 2 2 386.565 3.786 20 0 GHADLP Cc1ccc2nc(NC(=O)C[NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)sc2c1 ZINC000185685526 856419571 /nfs/dbraw/zinc/41/95/71/856419571.db2.gz YCERJGUZBFMRQU-JKSUJKDBSA-N 2 2 386.565 3.786 20 0 GHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCC[C@H]2c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465887372 856764157 /nfs/dbraw/zinc/76/41/57/856764157.db2.gz KSOHAHGVVINVTO-FCHUYYIVSA-N 2 2 398.595 3.572 20 0 GHADLP CCOC(=O)c1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)nc1 ZINC000593029331 857184461 /nfs/dbraw/zinc/18/44/61/857184461.db2.gz BAMFNDRBUUYZLG-QGZVFWFLSA-N 2 2 387.549 3.582 20 0 GHADLP CCOC(=O)c1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)nc1 ZINC000593029331 857184466 /nfs/dbraw/zinc/18/44/66/857184466.db2.gz BAMFNDRBUUYZLG-QGZVFWFLSA-N 2 2 387.549 3.582 20 0 GHADLP CCOC(=O)c1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)nc1 ZINC000593029331 857184471 /nfs/dbraw/zinc/18/44/71/857184471.db2.gz BAMFNDRBUUYZLG-QGZVFWFLSA-N 2 2 387.549 3.582 20 0 GHADLP CCOC(=O)c1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)nc1 ZINC000593029331 857184477 /nfs/dbraw/zinc/18/44/77/857184477.db2.gz BAMFNDRBUUYZLG-QGZVFWFLSA-N 2 2 387.549 3.582 20 0 GHADLP COC(=O)c1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)cs1 ZINC000593030335 857185307 /nfs/dbraw/zinc/18/53/07/857185307.db2.gz KUHUOACKPZNBKN-HNNXBMFYSA-N 2 2 378.563 3.859 20 0 GHADLP COC(=O)c1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)cs1 ZINC000593030335 857185312 /nfs/dbraw/zinc/18/53/12/857185312.db2.gz KUHUOACKPZNBKN-HNNXBMFYSA-N 2 2 378.563 3.859 20 0 GHADLP COC(=O)c1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)cs1 ZINC000593030335 857185315 /nfs/dbraw/zinc/18/53/15/857185315.db2.gz KUHUOACKPZNBKN-HNNXBMFYSA-N 2 2 378.563 3.859 20 0 GHADLP COC(=O)c1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cs1 ZINC000593030335 857185322 /nfs/dbraw/zinc/18/53/22/857185322.db2.gz KUHUOACKPZNBKN-HNNXBMFYSA-N 2 2 378.563 3.859 20 0 GHADLP CC(C)Cc1cccc([C@H](C)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671720605 857445915 /nfs/dbraw/zinc/44/59/15/857445915.db2.gz PKDMVSZHLBYLPI-WMZHIEFXSA-N 2 2 385.596 3.616 20 0 GHADLP CC(C)Cc1cccc([C@H](C)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671720605 857445927 /nfs/dbraw/zinc/44/59/27/857445927.db2.gz PKDMVSZHLBYLPI-WMZHIEFXSA-N 2 2 385.596 3.616 20 0 GHADLP CC(C)(C)C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000593292536 857455504 /nfs/dbraw/zinc/45/55/04/857455504.db2.gz FEYPRIDPXOXOHF-VQTJNVASSA-N 2 2 386.515 3.953 20 0 GHADLP CC(C)(C)C[C@@H](NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000593292536 857455515 /nfs/dbraw/zinc/45/55/15/857455515.db2.gz FEYPRIDPXOXOHF-VQTJNVASSA-N 2 2 386.515 3.953 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H]1CC1CCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000060892594 857485201 /nfs/dbraw/zinc/48/52/01/857485201.db2.gz POQNQMRNIRDJQT-QHCPKHFHSA-N 2 2 399.579 3.892 20 0 GHADLP O=C(C[N@H+]1CCC[C@H]1CC1CCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000060892594 857485207 /nfs/dbraw/zinc/48/52/07/857485207.db2.gz POQNQMRNIRDJQT-QHCPKHFHSA-N 2 2 399.579 3.892 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000672578859 857495075 /nfs/dbraw/zinc/49/50/75/857495075.db2.gz ANXAZWBLFVUOQG-YFVAEKQCSA-N 2 2 397.588 3.910 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000672578859 857495083 /nfs/dbraw/zinc/49/50/83/857495083.db2.gz ANXAZWBLFVUOQG-YFVAEKQCSA-N 2 2 397.588 3.910 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC(C)(C)[C@H]1c1cccs1 ZINC000672578859 857495092 /nfs/dbraw/zinc/49/50/92/857495092.db2.gz ANXAZWBLFVUOQG-YFVAEKQCSA-N 2 2 397.588 3.910 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC(C)(C)[C@H]1c1cccs1 ZINC000672578859 857495100 /nfs/dbraw/zinc/49/51/00/857495100.db2.gz ANXAZWBLFVUOQG-YFVAEKQCSA-N 2 2 397.588 3.910 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000521030954 857520250 /nfs/dbraw/zinc/52/02/50/857520250.db2.gz KAGMSVVRMKRHDM-HNNXBMFYSA-N 2 2 388.462 3.504 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC([NH+]3CCCC3)CC2)c(C)c1 ZINC000442244959 857650751 /nfs/dbraw/zinc/65/07/51/857650751.db2.gz VSBFOBXFUPNKQE-JOCHJYFZSA-N 2 2 395.551 3.511 20 0 GHADLP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000672905816 857851822 /nfs/dbraw/zinc/85/18/22/857851822.db2.gz AGWPLTWTBOROPU-OAQYLSRUSA-N 2 2 397.567 3.611 20 0 GHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000676478751 857910492 /nfs/dbraw/zinc/91/04/92/857910492.db2.gz OYSVABDTLMYRDW-IFMALSPDSA-N 2 2 390.487 3.909 20 0 GHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000676478751 857910499 /nfs/dbraw/zinc/91/04/99/857910499.db2.gz OYSVABDTLMYRDW-IFMALSPDSA-N 2 2 390.487 3.909 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C2 ZINC000521384539 857948928 /nfs/dbraw/zinc/94/89/28/857948928.db2.gz BZWAKKDUCXKLQE-IBGZPJMESA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)CC2 ZINC000521384539 857948937 /nfs/dbraw/zinc/94/89/37/857948937.db2.gz BZWAKKDUCXKLQE-IBGZPJMESA-N 2 2 394.563 3.761 20 0 GHADLP C[C@@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[NH+]1CCC(C)CC1 ZINC000521465645 858022136 /nfs/dbraw/zinc/02/21/36/858022136.db2.gz XEKULQXBFCANTB-SJORKVTESA-N 2 2 393.601 3.617 20 0 GHADLP C[C@@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[NH+]1CCC(C)CC1 ZINC000521465645 858022147 /nfs/dbraw/zinc/02/21/47/858022147.db2.gz XEKULQXBFCANTB-SJORKVTESA-N 2 2 393.601 3.617 20 0 GHADLP C[N@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442766088 858126554 /nfs/dbraw/zinc/12/65/54/858126554.db2.gz WAFRKKPHNQTHJN-IEBWDACRSA-N 2 2 396.362 3.872 20 0 GHADLP C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442766088 858126555 /nfs/dbraw/zinc/12/65/55/858126555.db2.gz WAFRKKPHNQTHJN-IEBWDACRSA-N 2 2 396.362 3.872 20 0 GHADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060171 858135881 /nfs/dbraw/zinc/13/58/81/858135881.db2.gz ZURYADSKRZVQHZ-GCSDAJTLSA-N 2 2 398.595 3.849 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[N@@H+]1C ZINC000428266872 858354463 /nfs/dbraw/zinc/35/44/63/858354463.db2.gz MATVZFSKGWQAAM-KXBFYZLASA-N 2 2 380.458 3.865 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[N@H+]1C ZINC000428266872 858354467 /nfs/dbraw/zinc/35/44/67/858354467.db2.gz MATVZFSKGWQAAM-KXBFYZLASA-N 2 2 380.458 3.865 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[NH+]1C ZINC000428266872 858354471 /nfs/dbraw/zinc/35/44/71/858354471.db2.gz MATVZFSKGWQAAM-KXBFYZLASA-N 2 2 380.458 3.865 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[NH+]1C ZINC000428266872 858354475 /nfs/dbraw/zinc/35/44/75/858354475.db2.gz MATVZFSKGWQAAM-KXBFYZLASA-N 2 2 380.458 3.865 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@H](C(N)=O)c3ccc(F)cc3)cc2)C1 ZINC000066939574 858365826 /nfs/dbraw/zinc/36/58/26/858365826.db2.gz XMOWUNVOJWADBE-JKSBSHDWSA-N 2 2 383.511 3.620 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H](C(N)=O)c3ccc(F)cc3)cc2)C1 ZINC000066939574 858365832 /nfs/dbraw/zinc/36/58/32/858365832.db2.gz XMOWUNVOJWADBE-JKSBSHDWSA-N 2 2 383.511 3.620 20 0 GHADLP Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000521876250 858408518 /nfs/dbraw/zinc/40/85/18/858408518.db2.gz SVGYKAACYQRGIW-YSIASYRMSA-N 2 2 379.504 3.785 20 0 GHADLP Cc1ccc(Oc2ccccc2NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000521876250 858408524 /nfs/dbraw/zinc/40/85/24/858408524.db2.gz SVGYKAACYQRGIW-YSIASYRMSA-N 2 2 379.504 3.785 20 0 GHADLP C[NH+]1CCC(CNC(=O)NCCCCC2CCCC2)([NH+]2CCCCC2)CC1 ZINC000466156469 858515098 /nfs/dbraw/zinc/51/50/98/858515098.db2.gz CAGSALKTISJCRB-UHFFFAOYSA-N 2 2 378.605 3.596 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N2CCc3ccccc32)c(C)c1 ZINC000676722097 858783687 /nfs/dbraw/zinc/78/36/87/858783687.db2.gz YFTLRKPBGPOKBI-UGKGYDQZSA-N 2 2 388.515 3.809 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N2CCc3ccccc32)c(C)c1 ZINC000676722094 858783770 /nfs/dbraw/zinc/78/37/70/858783770.db2.gz YFTLRKPBGPOKBI-DENIHFKCSA-N 2 2 388.515 3.809 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Br)ccc1F ZINC000765974905 858940541 /nfs/dbraw/zinc/94/05/41/858940541.db2.gz ITFFKWQQTDNUNX-CJNGLKHVSA-N 2 2 385.321 3.882 20 0 GHADLP C[C@@H](CCNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[NH+]1CCCCC1 ZINC000543285207 859133306 /nfs/dbraw/zinc/13/33/06/859133306.db2.gz UIRGWKGVWAITDP-SJORKVTESA-N 2 2 393.601 3.761 20 0 GHADLP C[C@@H](CCNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[NH+]1CCCCC1 ZINC000543285207 859133318 /nfs/dbraw/zinc/13/33/18/859133318.db2.gz UIRGWKGVWAITDP-SJORKVTESA-N 2 2 393.601 3.761 20 0 GHADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000654435188 859138872 /nfs/dbraw/zinc/13/88/72/859138872.db2.gz LEXBFNYJPVZLRH-KRWDZBQOSA-N 2 2 376.504 3.633 20 0 GHADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000654435188 859138880 /nfs/dbraw/zinc/13/88/80/859138880.db2.gz LEXBFNYJPVZLRH-KRWDZBQOSA-N 2 2 376.504 3.633 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000153661439 859275897 /nfs/dbraw/zinc/27/58/97/859275897.db2.gz YKAGEWMMSBLYDN-XQBPLPMBSA-N 2 2 395.551 3.701 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479050 859292107 /nfs/dbraw/zinc/29/21/07/859292107.db2.gz TVXDPEPCQZPBSG-KMDXXIMOSA-N 2 2 391.559 3.570 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479050 859292114 /nfs/dbraw/zinc/29/21/14/859292114.db2.gz TVXDPEPCQZPBSG-KMDXXIMOSA-N 2 2 391.559 3.570 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000429414453 859308940 /nfs/dbraw/zinc/30/89/40/859308940.db2.gz YCQTXLWCRHEGCB-UPVQGACJSA-N 2 2 380.532 3.953 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000429414453 859308946 /nfs/dbraw/zinc/30/89/46/859308946.db2.gz YCQTXLWCRHEGCB-UPVQGACJSA-N 2 2 380.532 3.953 20 0 GHADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc2ccccc21 ZINC000051759537 859313627 /nfs/dbraw/zinc/31/36/27/859313627.db2.gz OLNVEVRWJZPVAA-GOSISDBHSA-N 2 2 394.563 3.759 20 0 GHADLP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429427580 859349654 /nfs/dbraw/zinc/34/96/54/859349654.db2.gz PDHOKPBQBHTACE-UNMCSNQZSA-N 2 2 384.495 3.920 20 0 GHADLP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429427580 859349658 /nfs/dbraw/zinc/34/96/58/859349658.db2.gz PDHOKPBQBHTACE-UNMCSNQZSA-N 2 2 384.495 3.920 20 0 GHADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000626062666 859435648 /nfs/dbraw/zinc/43/56/48/859435648.db2.gz AOIZNMOLVSNKSX-KRWDZBQOSA-N 2 2 383.536 3.989 20 0 GHADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000626062666 859435649 /nfs/dbraw/zinc/43/56/49/859435649.db2.gz AOIZNMOLVSNKSX-KRWDZBQOSA-N 2 2 383.536 3.989 20 0 GHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)C1 ZINC001168532209 859464653 /nfs/dbraw/zinc/46/46/53/859464653.db2.gz GNAZKQFHCKKYCO-HRCADAONSA-N 2 2 393.494 3.637 20 0 GHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)C1 ZINC001168532209 859464659 /nfs/dbraw/zinc/46/46/59/859464659.db2.gz GNAZKQFHCKKYCO-HRCADAONSA-N 2 2 393.494 3.637 20 0 GHADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(Cl)c1F ZINC000671768814 859480959 /nfs/dbraw/zinc/48/09/59/859480959.db2.gz MKAVOPLDMYIHHD-KRWWSPQJSA-N 2 2 381.923 3.603 20 0 GHADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(Cl)c1F ZINC000671768814 859480965 /nfs/dbraw/zinc/48/09/65/859480965.db2.gz MKAVOPLDMYIHHD-KRWWSPQJSA-N 2 2 381.923 3.603 20 0 GHADLP Cc1cc(C)c(NC(=O)C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c(C)c1 ZINC000764533056 859488099 /nfs/dbraw/zinc/48/80/99/859488099.db2.gz GFAYWFDDXALCOX-UHFFFAOYSA-N 2 2 394.563 3.875 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(F)c(F)c3F)C2)ccn1 ZINC000856558854 881430168 /nfs/dbraw/zinc/43/01/68/881430168.db2.gz MJSYQHIPMKVXBI-GOSISDBHSA-N 2 2 393.453 3.992 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(F)c(F)c3F)C2)ccn1 ZINC000856558854 881430254 /nfs/dbraw/zinc/43/02/54/881430254.db2.gz MJSYQHIPMKVXBI-GOSISDBHSA-N 2 2 393.453 3.992 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3F)C2)ccn1 ZINC000856558854 881430324 /nfs/dbraw/zinc/43/03/24/881430324.db2.gz MJSYQHIPMKVXBI-GOSISDBHSA-N 2 2 393.453 3.992 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3F)C2)ccn1 ZINC000856558854 881430459 /nfs/dbraw/zinc/43/04/59/881430459.db2.gz MJSYQHIPMKVXBI-GOSISDBHSA-N 2 2 393.453 3.992 20 0 GHADLP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117638943 859544704 /nfs/dbraw/zinc/54/47/04/859544704.db2.gz DZQISLDVBOJNPJ-UHFFFAOYSA-N 2 2 392.528 3.982 20 0 GHADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000597444744 859554904 /nfs/dbraw/zinc/55/49/04/859554904.db2.gz WXOYAOOWTLNQGQ-FQEVSTJZSA-N 2 2 387.572 3.618 20 0 GHADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000597444744 859554909 /nfs/dbraw/zinc/55/49/09/859554909.db2.gz WXOYAOOWTLNQGQ-FQEVSTJZSA-N 2 2 387.572 3.618 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cnn(-c2ccccc2)c1 ZINC000765090038 859776606 /nfs/dbraw/zinc/77/66/06/859776606.db2.gz NQORPLYRVTUGMT-IBGZPJMESA-N 2 2 376.504 3.555 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(OCC4CCCCC4)cc3)C2)CC1 ZINC000602195481 859857820 /nfs/dbraw/zinc/85/78/20/859857820.db2.gz NSQYGUYRMSGUOQ-NRFANRHFSA-N 2 2 399.579 3.544 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(OCC4CCCCC4)cc3)C2)CC1 ZINC000602195481 859857829 /nfs/dbraw/zinc/85/78/29/859857829.db2.gz NSQYGUYRMSGUOQ-NRFANRHFSA-N 2 2 399.579 3.544 20 0 GHADLP Cc1nc2sc3c(c2c(N[C@@H]2CC[N@@H+](C4CC[NH+](C)CC4)C2)n1)CC[C@H](C)C3 ZINC000602233317 859882055 /nfs/dbraw/zinc/88/20/55/859882055.db2.gz RRXREJKIXPWRSF-GOEBONIOSA-N 2 2 399.608 3.705 20 0 GHADLP Cc1nc2sc3c(c2c(N[C@@H]2CC[N@H+](C4CC[NH+](C)CC4)C2)n1)CC[C@H](C)C3 ZINC000602233317 859882066 /nfs/dbraw/zinc/88/20/66/859882066.db2.gz RRXREJKIXPWRSF-GOEBONIOSA-N 2 2 399.608 3.705 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000921518313 860005594 /nfs/dbraw/zinc/00/55/94/860005594.db2.gz SUSMMVBUKVMROP-YLJYHZDGSA-N 2 2 384.524 3.714 20 0 GHADLP CN(C(=O)C=C1CCC(C(C)(C)C)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000765506023 860024002 /nfs/dbraw/zinc/02/40/02/860024002.db2.gz MLHUKHPYHPNPSZ-VGAJERRHSA-N 2 2 375.601 3.776 20 0 GHADLP CN(C(=O)C=C1CCC(C(C)(C)C)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000765506023 860024007 /nfs/dbraw/zinc/02/40/07/860024007.db2.gz MLHUKHPYHPNPSZ-VGAJERRHSA-N 2 2 375.601 3.776 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428866046 860064867 /nfs/dbraw/zinc/06/48/67/860064867.db2.gz XVESELAZQDGCBX-RDJZCZTQSA-N 2 2 384.467 3.740 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428866046 860064879 /nfs/dbraw/zinc/06/48/79/860064879.db2.gz XVESELAZQDGCBX-RDJZCZTQSA-N 2 2 384.467 3.740 20 0 GHADLP Cc1nc2scc(CC(C)C)c2c(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000602614101 860154104 /nfs/dbraw/zinc/15/41/04/860154104.db2.gz TUNLQGDKKRELBA-QGZVFWFLSA-N 2 2 387.597 3.779 20 0 GHADLP Cc1nc2scc(CC(C)C)c2c(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000602614101 860154112 /nfs/dbraw/zinc/15/41/12/860154112.db2.gz TUNLQGDKKRELBA-QGZVFWFLSA-N 2 2 387.597 3.779 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C1CCC(C(F)(F)F)CC1 ZINC000474485513 860202801 /nfs/dbraw/zinc/20/28/01/860202801.db2.gz FKVLHCLDYGPUGM-GFBXMDILSA-N 2 2 384.486 3.752 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)C1CCC(C(F)(F)F)CC1 ZINC000474485513 860202812 /nfs/dbraw/zinc/20/28/12/860202812.db2.gz FKVLHCLDYGPUGM-GFBXMDILSA-N 2 2 384.486 3.752 20 0 GHADLP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000508965092 860312235 /nfs/dbraw/zinc/31/22/35/860312235.db2.gz LGLAIWHPMMYMJA-IBGZPJMESA-N 2 2 383.536 3.567 20 0 GHADLP O=C(NC1CC1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000025702471 860411595 /nfs/dbraw/zinc/41/15/95/860411595.db2.gz QAQRUHMTNDKVSP-HSZRJFAPSA-N 2 2 377.532 3.782 20 0 GHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1ccccc1-n1cc[nH+]c1)[NH+](C)C ZINC000484891507 860457255 /nfs/dbraw/zinc/45/72/55/860457255.db2.gz QNQWZXUQHALLFM-GCJKJVERSA-N 2 2 391.519 3.671 20 0 GHADLP CC[NH+](CC)Cc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)o1 ZINC000598805969 860587529 /nfs/dbraw/zinc/58/75/29/860587529.db2.gz UXFHWBUEEATLOJ-UHFFFAOYSA-N 2 2 396.491 3.671 20 0 GHADLP CCOc1cccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000155167933 881560621 /nfs/dbraw/zinc/56/06/21/881560621.db2.gz DSJZAYPRXIMPIO-LJQANCHMSA-N 2 2 384.520 3.647 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000598967665 860695689 /nfs/dbraw/zinc/69/56/89/860695689.db2.gz MEEXDRIECYDUQG-QZTJIDSGSA-N 2 2 394.581 3.561 20 0 GHADLP COc1ccc2oc([C@H](C)[NH2+]Cc3cccnc3N3CC[NH+](C)CC3)c(C)c2c1 ZINC000481239918 860842559 /nfs/dbraw/zinc/84/25/59/860842559.db2.gz WUNDUGPGOOXYIU-KRWDZBQOSA-N 2 2 394.519 3.747 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623358234 860916046 /nfs/dbraw/zinc/91/60/46/860916046.db2.gz UYVIDQGRTQDWSS-ROUUACIJSA-N 2 2 397.485 3.831 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623358234 860916057 /nfs/dbraw/zinc/91/60/57/860916057.db2.gz UYVIDQGRTQDWSS-ROUUACIJSA-N 2 2 397.485 3.831 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cc2c(cc1Br)OCCO2 ZINC000623365064 860936303 /nfs/dbraw/zinc/93/63/03/860936303.db2.gz AVINTEDXGCPJSE-QWHCGFSZSA-N 2 2 383.330 3.744 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cc2c(cc1Br)OCCO2 ZINC000623365064 860936315 /nfs/dbraw/zinc/93/63/15/860936315.db2.gz AVINTEDXGCPJSE-QWHCGFSZSA-N 2 2 383.330 3.744 20 0 GHADLP Cc1cc(-c2nnc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)o2)c(C)o1 ZINC000669694796 861103626 /nfs/dbraw/zinc/10/36/26/861103626.db2.gz BHXDSCPNQDCNPP-INIZCTEOSA-N 2 2 381.480 3.859 20 0 GHADLP Cc1cc(-c2nnc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)o2)c(C)o1 ZINC000669694796 861103634 /nfs/dbraw/zinc/10/36/34/861103634.db2.gz BHXDSCPNQDCNPP-INIZCTEOSA-N 2 2 381.480 3.859 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1C ZINC000733847032 863200340 /nfs/dbraw/zinc/20/03/40/863200340.db2.gz BDWMEFLJJDZPPD-MJGOQNOKSA-N 2 2 388.556 3.503 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1C ZINC000733847032 863200351 /nfs/dbraw/zinc/20/03/51/863200351.db2.gz BDWMEFLJJDZPPD-MJGOQNOKSA-N 2 2 388.556 3.503 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000766191292 863300276 /nfs/dbraw/zinc/30/02/76/863300276.db2.gz MPOPHOHWQWTJEG-GOSISDBHSA-N 2 2 390.535 3.653 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000766191293 863301445 /nfs/dbraw/zinc/30/14/45/863301445.db2.gz MPOPHOHWQWTJEG-SFHVURJKSA-N 2 2 390.535 3.653 20 0 GHADLP COc1cccc2c1OCC[C@@H]2[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766192314 863309440 /nfs/dbraw/zinc/30/94/40/863309440.db2.gz RAOKXZWAOXKMMM-NRFANRHFSA-N 2 2 381.520 3.843 20 0 GHADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H](CCSc1ccc(F)cc1)c1ccc(F)cc1 ZINC000482616370 863388705 /nfs/dbraw/zinc/38/87/05/863388705.db2.gz ABJWESHSERTSMH-AZUAARDMSA-N 2 2 380.504 3.700 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000482626771 863399743 /nfs/dbraw/zinc/39/97/43/863399743.db2.gz FNGQDFZNBLCXHV-RHSMWYFYSA-N 2 2 375.513 3.545 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000482626771 863399760 /nfs/dbraw/zinc/39/97/60/863399760.db2.gz FNGQDFZNBLCXHV-RHSMWYFYSA-N 2 2 375.513 3.545 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]([NH3+])C1 ZINC001168338287 881664652 /nfs/dbraw/zinc/66/46/52/881664652.db2.gz YXPNYVWJEAWOIA-SOTJZCEJSA-N 2 2 393.959 3.902 20 0 GHADLP C[NH+](C)CCc1ccccc1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281951458 863537883 /nfs/dbraw/zinc/53/78/83/863537883.db2.gz CUMPIJKWZRPQJA-IBGZPJMESA-N 2 2 395.551 3.735 20 0 GHADLP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000494407547 881682354 /nfs/dbraw/zinc/68/23/54/881682354.db2.gz UWDYTUUMLBQHJQ-LJQANCHMSA-N 2 2 389.528 3.961 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1Cl ZINC000158912789 863987984 /nfs/dbraw/zinc/98/79/84/863987984.db2.gz XVAGQFHBHYXBMD-XTDOFWJNSA-N 2 2 398.378 3.975 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1Cl ZINC000158912789 863987997 /nfs/dbraw/zinc/98/79/97/863987997.db2.gz XVAGQFHBHYXBMD-XTDOFWJNSA-N 2 2 398.378 3.975 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000158912789 863988006 /nfs/dbraw/zinc/98/80/06/863988006.db2.gz XVAGQFHBHYXBMD-XTDOFWJNSA-N 2 2 398.378 3.975 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000158912789 863988014 /nfs/dbraw/zinc/98/80/14/863988014.db2.gz XVAGQFHBHYXBMD-XTDOFWJNSA-N 2 2 398.378 3.975 20 0 GHADLP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000158980179 864002775 /nfs/dbraw/zinc/00/27/75/864002775.db2.gz ONSLIOYVESSXOK-MJGOQNOKSA-N 2 2 392.503 3.819 20 0 GHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000607167859 864129391 /nfs/dbraw/zinc/12/93/91/864129391.db2.gz MFTBUQCZHJRVHS-FYYLOGMGSA-N 2 2 376.500 3.919 20 0 GHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000607167859 864129402 /nfs/dbraw/zinc/12/94/02/864129402.db2.gz MFTBUQCZHJRVHS-FYYLOGMGSA-N 2 2 376.500 3.919 20 0 GHADLP C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607183519 864146458 /nfs/dbraw/zinc/14/64/58/864146458.db2.gz IKTRDPNZHNBAQA-UGKGYDQZSA-N 2 2 398.595 3.728 20 0 GHADLP C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607183519 864146466 /nfs/dbraw/zinc/14/64/66/864146466.db2.gz IKTRDPNZHNBAQA-UGKGYDQZSA-N 2 2 398.595 3.728 20 0 GHADLP CN(C)[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1c(F)cccc1F ZINC000120700980 881733017 /nfs/dbraw/zinc/73/30/17/881733017.db2.gz FWEQJXOBPIIMJL-QFIPXVFZSA-N 2 2 387.518 3.864 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4cc(Cl)ccc4s3)CC2)CC1 ZINC000667641380 864283167 /nfs/dbraw/zinc/28/31/67/864283167.db2.gz QZROBHVHVCYDEX-UHFFFAOYSA-N 2 2 391.968 3.843 20 0 GHADLP CCc1nc2c(s1)[C@H]([NH2+]CCC[NH+]1CCN(c3ccccc3)CC1)CCC2 ZINC000480223628 864290881 /nfs/dbraw/zinc/29/08/81/864290881.db2.gz DJIUFRSWYIDMCY-LJQANCHMSA-N 2 2 384.593 3.885 20 0 GHADLP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1c(F)cccc1Cl ZINC000475147377 864297860 /nfs/dbraw/zinc/29/78/60/864297860.db2.gz DAADGFALLXKMSD-KDOFPFPSSA-N 2 2 377.891 3.549 20 0 GHADLP Cc1nc2c(s1)[C@H]([NH2+]CCC[NH+]1CCN(c3cccc(C)c3)CC1)CCC2 ZINC000480243861 864309496 /nfs/dbraw/zinc/30/94/96/864309496.db2.gz FRNPSSOPMCLCEU-HXUWFJFHSA-N 2 2 384.593 3.939 20 0 GHADLP Cc1ccc(-c2ccc(C[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)o2)cc1 ZINC000607366899 864350693 /nfs/dbraw/zinc/35/06/93/864350693.db2.gz XUPTUWNJMWQMJH-XMMPIXPASA-N 2 2 376.500 3.982 20 0 GHADLP Cc1ccc(-c2ccc(C[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)o2)cc1 ZINC000607366899 864350702 /nfs/dbraw/zinc/35/07/02/864350702.db2.gz XUPTUWNJMWQMJH-XMMPIXPASA-N 2 2 376.500 3.982 20 0 GHADLP COc1cc2c(cc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)O[C@@H](C)C2 ZINC000608069571 864960555 /nfs/dbraw/zinc/96/05/55/864960555.db2.gz CKRSSQLNDVNSON-OXJNMPFZSA-N 2 2 377.488 3.826 20 0 GHADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3ccccc3-n3cc[nH+]c3)ccc21 ZINC000455950486 865057895 /nfs/dbraw/zinc/05/78/95/865057895.db2.gz ZLVKXHITOYZHPI-OAQYLSRUSA-N 2 2 375.476 3.743 20 0 GHADLP CC(C)[NH+]1CCN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)CC1 ZINC000301073753 865137664 /nfs/dbraw/zinc/13/76/64/865137664.db2.gz CKJAWUFHIYFBAZ-UHFFFAOYSA-N 2 2 395.576 3.950 20 0 GHADLP [NH3+]Cc1cccc(NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000667732167 865143306 /nfs/dbraw/zinc/14/33/06/865143306.db2.gz DJAUWXIQMNZHEU-GOSISDBHSA-N 2 2 390.890 3.896 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(N2CCOCC2)c1 ZINC000480785420 865296215 /nfs/dbraw/zinc/29/62/15/865296215.db2.gz HDAKRNLBSZGLPD-LJQANCHMSA-N 2 2 376.504 3.619 20 0 GHADLP CN(C(=O)Nc1ccc(-c2ccccc2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608488482 865407705 /nfs/dbraw/zinc/40/77/05/865407705.db2.gz JVVZCDDRCQTMIR-HSZRJFAPSA-N 2 2 392.547 3.986 20 0 GHADLP CN(C(=O)Nc1ccc(-c2ccccc2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608488482 865407712 /nfs/dbraw/zinc/40/77/12/865407712.db2.gz JVVZCDDRCQTMIR-HSZRJFAPSA-N 2 2 392.547 3.986 20 0 GHADLP C[C@H]([NH2+]C1(CNc2cc(N3CCCCC3)[nH+]cn2)CCOCC1)c1ccccc1 ZINC000301537817 865410981 /nfs/dbraw/zinc/41/09/81/865410981.db2.gz BAIBECIBQSMLST-IBGZPJMESA-N 2 2 395.551 3.779 20 0 GHADLP COc1ccc(C[NH+]2CCC(CNc3nc(N)c4ccccc4[nH+]3)CC2)cc1 ZINC000301863536 865574746 /nfs/dbraw/zinc/57/47/46/865574746.db2.gz GOGMYTJWOVKTNF-UHFFFAOYSA-N 2 2 377.492 3.545 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCCO[C@H](c4ccccc4)C3)C2)cc1 ZINC000671240615 865716612 /nfs/dbraw/zinc/71/66/12/865716612.db2.gz DILAOANTHLJCON-RPWUZVMVSA-N 2 2 380.532 3.741 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCCO[C@H](c4ccccc4)C3)C2)cc1 ZINC000671240615 865716617 /nfs/dbraw/zinc/71/66/17/865716617.db2.gz DILAOANTHLJCON-RPWUZVMVSA-N 2 2 380.532 3.741 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CCCO[C@H](c4ccccc4)C3)C2)cc1 ZINC000671240615 865716623 /nfs/dbraw/zinc/71/66/23/865716623.db2.gz DILAOANTHLJCON-RPWUZVMVSA-N 2 2 380.532 3.741 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CCCO[C@H](c4ccccc4)C3)C2)cc1 ZINC000671240615 865716626 /nfs/dbraw/zinc/71/66/26/865716626.db2.gz DILAOANTHLJCON-RPWUZVMVSA-N 2 2 380.532 3.741 20 0 GHADLP C[NH+](C)CC1CC[NH+](CC(=O)Nc2c(Cl)cccc2C(F)(F)F)CC1 ZINC000481066955 865774142 /nfs/dbraw/zinc/77/41/42/865774142.db2.gz ADCZVLJOXQZDKH-UHFFFAOYSA-N 2 2 377.838 3.571 20 0 GHADLP Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481166171 865907218 /nfs/dbraw/zinc/90/72/18/865907218.db2.gz CJONPMBOTYICOZ-HFMPRLQTSA-N 2 2 393.575 3.542 20 0 GHADLP Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481166171 865907227 /nfs/dbraw/zinc/90/72/27/865907227.db2.gz CJONPMBOTYICOZ-HFMPRLQTSA-N 2 2 393.575 3.542 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+][C@@H]3CCC[C@@H](C)[C@@H]3C)n2)CC1 ZINC000481167211 865909568 /nfs/dbraw/zinc/90/95/68/865909568.db2.gz APDRTWOQBAOCAC-SOLBZPMBSA-N 2 2 378.586 3.728 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc2ccccc2c1OC(F)F ZINC000481176450 865926354 /nfs/dbraw/zinc/92/63/54/865926354.db2.gz RTFZGWFADNFQFI-HNNXBMFYSA-N 2 2 378.463 3.939 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1cc(F)ccc1F ZINC000481181933 865945370 /nfs/dbraw/zinc/94/53/70/865945370.db2.gz ADFCKYQJEJUHMY-FTRWYGJKSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1cc(F)ccc1F ZINC000481181933 865945381 /nfs/dbraw/zinc/94/53/81/865945381.db2.gz ADFCKYQJEJUHMY-FTRWYGJKSA-N 2 2 387.474 3.792 20 0 GHADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000175008840 865964931 /nfs/dbraw/zinc/96/49/31/865964931.db2.gz IFRVBIQHZDYNPP-JKSUJKDBSA-N 2 2 377.330 3.802 20 0 GHADLP CCc1ccsc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358622 866644063 /nfs/dbraw/zinc/64/40/63/866644063.db2.gz FWZFIMBMCXJBFY-RBUKOAKNSA-N 2 2 377.598 3.720 20 0 GHADLP CCc1ccsc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358622 866644073 /nfs/dbraw/zinc/64/40/73/866644073.db2.gz FWZFIMBMCXJBFY-RBUKOAKNSA-N 2 2 377.598 3.720 20 0 GHADLP CN(C(=O)NCC1(C)CCCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534385466 866659448 /nfs/dbraw/zinc/65/94/48/866659448.db2.gz SWHRPPNJWTVINZ-PMACEKPBSA-N 2 2 378.605 3.545 20 0 GHADLP CN(C(=O)NCC1(C)CCCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534385466 866659455 /nfs/dbraw/zinc/65/94/55/866659455.db2.gz SWHRPPNJWTVINZ-PMACEKPBSA-N 2 2 378.605 3.545 20 0 GHADLP C[C@@H]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534384985 866699020 /nfs/dbraw/zinc/69/90/20/866699020.db2.gz MQOSCKBHKDQDOE-WKDRNLAYSA-N 2 2 392.632 3.791 20 0 GHADLP C[C@@H]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534384985 866699027 /nfs/dbraw/zinc/69/90/27/866699027.db2.gz MQOSCKBHKDQDOE-WKDRNLAYSA-N 2 2 392.632 3.791 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000742245384 867155571 /nfs/dbraw/zinc/15/55/71/867155571.db2.gz KXBKENVFHBSVPI-HXUWFJFHSA-N 2 2 375.476 3.569 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000742245384 867155577 /nfs/dbraw/zinc/15/55/77/867155577.db2.gz KXBKENVFHBSVPI-HXUWFJFHSA-N 2 2 375.476 3.569 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(O)c(Cl)c2)CC1 ZINC000742392854 867258434 /nfs/dbraw/zinc/25/84/34/867258434.db2.gz TUWMHIVGUFXBEL-UHFFFAOYSA-N 2 2 380.319 3.741 20 0 GHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCc4ccc(Cl)cc43)cc2)CC1 ZINC000479172123 867278062 /nfs/dbraw/zinc/27/80/62/867278062.db2.gz SAWOYWSFDTZBOR-OAQYLSRUSA-N 2 2 383.923 3.505 20 0 GHADLP CCC[C@@H]([NH2+]C1CC[NH+](CCC)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000154349974 867364882 /nfs/dbraw/zinc/36/48/82/867364882.db2.gz ZVUJJZIODDFMEF-JOCHJYFZSA-N 2 2 386.584 3.858 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@@H](C(C)(C)C)c4ccccc43)CC2)CC1 ZINC000445007769 867637404 /nfs/dbraw/zinc/63/74/04/867637404.db2.gz ANYOEFZNLRYXBC-OAQYLSRUSA-N 2 2 398.595 3.905 20 0 GHADLP C[C@H]1c2ccsc2CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523635722 867701080 /nfs/dbraw/zinc/70/10/80/867701080.db2.gz PSNZQHANNFEOOK-KRWDZBQOSA-N 2 2 383.561 3.579 20 0 GHADLP C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523635722 867701089 /nfs/dbraw/zinc/70/10/89/867701089.db2.gz PSNZQHANNFEOOK-KRWDZBQOSA-N 2 2 383.561 3.579 20 0 GHADLP CCc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097752 868160827 /nfs/dbraw/zinc/16/08/27/868160827.db2.gz XQQOFFLGCPDVIL-DNQXCXABSA-N 2 2 399.623 3.977 20 0 GHADLP CCc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097752 868160837 /nfs/dbraw/zinc/16/08/37/868160837.db2.gz XQQOFFLGCPDVIL-DNQXCXABSA-N 2 2 399.623 3.977 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000621014311 868488060 /nfs/dbraw/zinc/48/80/60/868488060.db2.gz RJHFYYOEBSYMEV-UHFFFAOYSA-N 2 2 394.563 3.556 20 0 GHADLP CC[C@H](c1nn(C[N@H+](C)CC(C)C)c(=S)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000744151454 868626714 /nfs/dbraw/zinc/62/67/14/868626714.db2.gz CMSMGALDXIIXEM-GOSISDBHSA-N 2 2 391.585 3.970 20 0 GHADLP CC[C@H](c1nn(C[N@@H+](C)CC(C)C)c(=S)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000744151454 868626723 /nfs/dbraw/zinc/62/67/23/868626723.db2.gz CMSMGALDXIIXEM-GOSISDBHSA-N 2 2 391.585 3.970 20 0 GHADLP C[C@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000470976387 882241869 /nfs/dbraw/zinc/24/18/69/882241869.db2.gz SBIIMKGQIWIXIC-JOCHJYFZSA-N 3 2 390.660 3.666 20 0 GHADLP C[C@H](CCN1CCC([NH+]2CCCCC2)CC1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000470976387 882241856 /nfs/dbraw/zinc/24/18/56/882241856.db2.gz SBIIMKGQIWIXIC-JOCHJYFZSA-N 3 2 390.660 3.666 20 0 GHADLP Brc1cc(Br)cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000394567169 882256214 /nfs/dbraw/zinc/25/62/14/882256214.db2.gz LTGNSBWDYNFVAX-CABCVRRESA-N 2 2 388.147 3.928 20 0 GHADLP Brc1cc(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000394567169 882256218 /nfs/dbraw/zinc/25/62/18/882256218.db2.gz LTGNSBWDYNFVAX-CABCVRRESA-N 2 2 388.147 3.928 20 0 GHADLP CCC[C@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000539485748 869220691 /nfs/dbraw/zinc/22/06/91/869220691.db2.gz GKNQCVROYNCDOC-NRFANRHFSA-N 2 2 391.519 3.530 20 0 GHADLP CCC[C@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000539485748 869220699 /nfs/dbraw/zinc/22/06/99/869220699.db2.gz GKNQCVROYNCDOC-NRFANRHFSA-N 2 2 391.519 3.530 20 0 GHADLP Cn1cc(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c(-c2cccnc2)n1 ZINC000121818353 882294393 /nfs/dbraw/zinc/29/43/93/882294393.db2.gz RVYLKPRQZWCDTQ-QHCPKHFHSA-N 2 2 375.520 3.626 20 0 GHADLP C[N@H+](Cc1cccc(-c2ccncc2)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428436441 869527779 /nfs/dbraw/zinc/52/77/79/869527779.db2.gz QGMLPOOYVHYTJB-RUZDIDTESA-N 2 2 387.527 3.817 20 0 GHADLP C[N@@H+](Cc1cccc(-c2ccncc2)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428436441 869527783 /nfs/dbraw/zinc/52/77/83/869527783.db2.gz QGMLPOOYVHYTJB-RUZDIDTESA-N 2 2 387.527 3.817 20 0 GHADLP C[NH+](Cc1cccc(-c2ccncc2)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428436441 869527790 /nfs/dbraw/zinc/52/77/90/869527790.db2.gz QGMLPOOYVHYTJB-RUZDIDTESA-N 2 2 387.527 3.817 20 0 GHADLP C[NH+](Cc1cccc(-c2ccncc2)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428436441 869527796 /nfs/dbraw/zinc/52/77/96/869527796.db2.gz QGMLPOOYVHYTJB-RUZDIDTESA-N 2 2 387.527 3.817 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(N3CCCC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000538731776 870462242 /nfs/dbraw/zinc/46/22/42/870462242.db2.gz NBFDJRGTCNYLAE-KNQAVFIVSA-N 2 2 379.552 3.562 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(N3CCCC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000538731776 870462250 /nfs/dbraw/zinc/46/22/50/870462250.db2.gz NBFDJRGTCNYLAE-KNQAVFIVSA-N 2 2 379.552 3.562 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc(N3CCCC3)nc2)CC[NH+]1Cc1ccccc1 ZINC000538731776 870462256 /nfs/dbraw/zinc/46/22/56/870462256.db2.gz NBFDJRGTCNYLAE-KNQAVFIVSA-N 2 2 379.552 3.562 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(N3CCCC3)nc2)CC[NH+]1Cc1ccccc1 ZINC000538731776 870462264 /nfs/dbraw/zinc/46/22/64/870462264.db2.gz NBFDJRGTCNYLAE-KNQAVFIVSA-N 2 2 379.552 3.562 20 0 GHADLP Cc1cc(NCC(C)(C)[NH+]2CCS(=O)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000446854856 870622242 /nfs/dbraw/zinc/62/22/42/870622242.db2.gz CQBILITYXKDDEP-UHFFFAOYSA-N 2 2 379.957 3.760 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000540152855 870634743 /nfs/dbraw/zinc/63/47/43/870634743.db2.gz SOSONEULPQPMBB-DLBZAZTESA-N 2 2 396.535 3.925 20 0 GHADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cc1S(C)(=O)=O ZINC000446892214 870656172 /nfs/dbraw/zinc/65/61/72/870656172.db2.gz IYGRRQIRMYVHMI-UZLBHIALSA-N 2 2 378.582 3.531 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000446975210 870835421 /nfs/dbraw/zinc/83/54/21/870835421.db2.gz PZXULLKYMLJLBZ-KBXCAEBGSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000446975210 870835428 /nfs/dbraw/zinc/83/54/28/870835428.db2.gz PZXULLKYMLJLBZ-KBXCAEBGSA-N 2 2 394.357 3.773 20 0 GHADLP CN(C)C(=O)C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000463072741 870836387 /nfs/dbraw/zinc/83/63/87/870836387.db2.gz FSIASSAMPCPGTB-QHCPKHFHSA-N 2 2 379.548 3.503 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)CN1C(=O)OC(C)(C)C ZINC001168835560 870892014 /nfs/dbraw/zinc/89/20/14/870892014.db2.gz SPKYICPPHNLFIC-HOTGVXAUSA-N 2 2 393.959 3.988 20 0 GHADLP COc1ccc(C(C)(C)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1OC ZINC000463153324 871028030 /nfs/dbraw/zinc/02/80/30/871028030.db2.gz MQRBUZIWZYRIDJ-UHFFFAOYSA-N 2 2 388.474 3.988 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000429711496 871031398 /nfs/dbraw/zinc/03/13/98/871031398.db2.gz QEAKLMYWJXTINQ-HSZRJFAPSA-N 2 2 393.531 3.987 20 0 GHADLP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001169077133 871149906 /nfs/dbraw/zinc/14/99/06/871149906.db2.gz ADJQMSVFGXBMAW-SMIHKQSGSA-N 2 2 380.580 3.831 20 0 GHADLP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001169077133 871149913 /nfs/dbraw/zinc/14/99/13/871149913.db2.gz ADJQMSVFGXBMAW-SMIHKQSGSA-N 2 2 380.580 3.831 20 0 GHADLP CC(C)C[C@@H](Cc1ccccc1)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001169077133 871149916 /nfs/dbraw/zinc/14/99/16/871149916.db2.gz ADJQMSVFGXBMAW-SMIHKQSGSA-N 2 2 380.580 3.831 20 0 GHADLP CC(C)C[C@@H](Cc1ccccc1)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001169077133 871149921 /nfs/dbraw/zinc/14/99/21/871149921.db2.gz ADJQMSVFGXBMAW-SMIHKQSGSA-N 2 2 380.580 3.831 20 0 GHADLP CCN(CC)C(=O)C[C@@H](C)[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001169475258 871550118 /nfs/dbraw/zinc/55/01/18/871550118.db2.gz MUCLDJFQRRNKBC-MRXNPFEDSA-N 2 2 380.492 3.641 20 0 GHADLP CC(C)[C@@H]1C[N@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CCCO1 ZINC001194624978 871834917 /nfs/dbraw/zinc/83/49/17/871834917.db2.gz IZMYQSHLWIXFEM-NRFANRHFSA-N 2 2 379.976 3.599 20 0 GHADLP CC(C)[C@@H]1C[N@@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CCCO1 ZINC001194624978 871834934 /nfs/dbraw/zinc/83/49/34/871834934.db2.gz IZMYQSHLWIXFEM-NRFANRHFSA-N 2 2 379.976 3.599 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC[NH+](C)C3CCCCC3)n2)C1 ZINC000526952652 872323052 /nfs/dbraw/zinc/32/30/52/872323052.db2.gz KJMYRASFQCTYQV-INIZCTEOSA-N 2 2 393.601 3.761 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC[NH+](C)C3CCCCC3)n2)C1 ZINC000526952652 872323070 /nfs/dbraw/zinc/32/30/70/872323070.db2.gz KJMYRASFQCTYQV-INIZCTEOSA-N 2 2 393.601 3.761 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NCC[N@H+](C)C3CCCCC3)n2)C1 ZINC000526952652 872323089 /nfs/dbraw/zinc/32/30/89/872323089.db2.gz KJMYRASFQCTYQV-INIZCTEOSA-N 2 2 393.601 3.761 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NCC[N@@H+](C)C3CCCCC3)n2)C1 ZINC000526952652 872323097 /nfs/dbraw/zinc/32/30/97/872323097.db2.gz KJMYRASFQCTYQV-INIZCTEOSA-N 2 2 393.601 3.761 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000447813954 872343440 /nfs/dbraw/zinc/34/34/40/872343440.db2.gz YBVAFISKZAINMW-MOPGFXCFSA-N 2 2 380.621 3.506 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000447813954 872343458 /nfs/dbraw/zinc/34/34/58/872343458.db2.gz YBVAFISKZAINMW-MOPGFXCFSA-N 2 2 380.621 3.506 20 0 GHADLP C[C@H](CCc1ccc(I)cc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000526980122 872410149 /nfs/dbraw/zinc/41/01/49/872410149.db2.gz SCXSHGCSPKUPRQ-OAHLLOKOSA-N 2 2 397.304 3.879 20 0 GHADLP CCN(C(=O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000076108772 882616158 /nfs/dbraw/zinc/61/61/58/882616158.db2.gz PBLGJFASUUWMEM-UHFFFAOYSA-N 2 2 380.536 3.673 20 0 GHADLP CCN(C(=O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000076108772 882616167 /nfs/dbraw/zinc/61/61/67/882616167.db2.gz PBLGJFASUUWMEM-UHFFFAOYSA-N 2 2 380.536 3.673 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001195677721 872546061 /nfs/dbraw/zinc/54/60/61/872546061.db2.gz QJOJXKNKWHNYQT-IBGZPJMESA-N 2 2 378.438 3.777 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001195677721 872546068 /nfs/dbraw/zinc/54/60/68/872546068.db2.gz QJOJXKNKWHNYQT-IBGZPJMESA-N 2 2 378.438 3.777 20 0 GHADLP Cc1ccc2nc(C[NH2+][C@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)cn2c1 ZINC000552413002 872605885 /nfs/dbraw/zinc/60/58/85/872605885.db2.gz FFVHEMUOKCVDAZ-FQEVSTJZSA-N 2 2 376.504 3.721 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)C2 ZINC000527221561 872834148 /nfs/dbraw/zinc/83/41/48/872834148.db2.gz ZGWDGARHMUSRPY-GOSISDBHSA-N 2 2 394.563 3.940 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)CC2 ZINC000527221561 872834151 /nfs/dbraw/zinc/83/41/51/872834151.db2.gz ZGWDGARHMUSRPY-GOSISDBHSA-N 2 2 394.563 3.940 20 0 GHADLP CCN(C(C)=O)c1nc(C[NH+]2CCC(CCC[NH+](CC)CC)CC2)cs1 ZINC000541084915 872887037 /nfs/dbraw/zinc/88/70/37/872887037.db2.gz DSKKNXSUHUDEDQ-UHFFFAOYSA-N 2 2 380.602 3.850 20 0 GHADLP O=C1C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CN1c1ccc(Cl)c(F)c1 ZINC000541379669 873479360 /nfs/dbraw/zinc/47/93/60/873479360.db2.gz AZFNQGZBDKWPLH-GFCCVEGCSA-N 2 2 390.871 3.621 20 0 GHADLP CC[C@H](NC(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001197368162 873776334 /nfs/dbraw/zinc/77/63/34/873776334.db2.gz DTXNCHYKEGYILH-JXFKEZNVSA-N 2 2 386.927 3.513 20 0 GHADLP CC[C@H](NC(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001197368162 873776342 /nfs/dbraw/zinc/77/63/42/873776342.db2.gz DTXNCHYKEGYILH-JXFKEZNVSA-N 2 2 386.927 3.513 20 0 GHADLP COc1ccc(CN2CC[C@@H]2C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000527964419 873841450 /nfs/dbraw/zinc/84/14/50/873841450.db2.gz CDQVSYMZCDDNFJ-XMSQKQJNSA-N 2 2 376.504 3.806 20 0 GHADLP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528012182 873884455 /nfs/dbraw/zinc/88/44/55/873884455.db2.gz OMMFKKLEQJUVMP-MISYRCLQSA-N 2 2 395.547 3.590 20 0 GHADLP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528012182 873884471 /nfs/dbraw/zinc/88/44/71/873884471.db2.gz OMMFKKLEQJUVMP-MISYRCLQSA-N 2 2 395.547 3.590 20 0 GHADLP Cc1cc(NC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)cc2snnc21 ZINC001198030592 874188036 /nfs/dbraw/zinc/18/80/36/874188036.db2.gz LYEPPYVFCHRIAW-UHFFFAOYSA-N 2 2 397.548 3.636 20 0 GHADLP Cc1cc(NC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)cc2snnc21 ZINC001198030592 874188044 /nfs/dbraw/zinc/18/80/44/874188044.db2.gz LYEPPYVFCHRIAW-UHFFFAOYSA-N 2 2 397.548 3.636 20 0 GHADLP Cc1ccc(CCCNC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)s1 ZINC001198031794 874189972 /nfs/dbraw/zinc/18/99/72/874189972.db2.gz ZEQNWGIVBXNQDQ-UHFFFAOYSA-N 2 2 387.593 3.803 20 0 GHADLP Cc1ccc(CCCNC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)s1 ZINC001198031794 874189984 /nfs/dbraw/zinc/18/99/84/874189984.db2.gz ZEQNWGIVBXNQDQ-UHFFFAOYSA-N 2 2 387.593 3.803 20 0 GHADLP Cc1cccc(C2(NC(=O)c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)CC2)c1 ZINC001198041509 874195271 /nfs/dbraw/zinc/19/52/71/874195271.db2.gz FWWSGUQUBMVMLW-UHFFFAOYSA-N 2 2 379.548 3.798 20 0 GHADLP Cc1cccc(C2(NC(=O)c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)CC2)c1 ZINC001198041509 874195277 /nfs/dbraw/zinc/19/52/77/874195277.db2.gz FWWSGUQUBMVMLW-UHFFFAOYSA-N 2 2 379.548 3.798 20 0 GHADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc(-c4cccs4)no3)CC2)C[C@H](C)O1 ZINC000177506238 882809265 /nfs/dbraw/zinc/80/92/65/882809265.db2.gz ITMRPRKAEDKVDU-HOTGVXAUSA-N 2 2 390.553 3.509 20 0 GHADLP CO[C@H](C)c1nc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cs1 ZINC000177510543 882809985 /nfs/dbraw/zinc/80/99/85/882809985.db2.gz NNZPPYVITBRPMC-BRWVUGGUSA-N 2 2 381.586 3.562 20 0 GHADLP Ic1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000770376069 874616171 /nfs/dbraw/zinc/61/61/71/874616171.db2.gz UMZLCTWSUWARHJ-MAUKXSAKSA-N 2 2 396.316 3.740 20 0 GHADLP Ic1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000770376069 874616175 /nfs/dbraw/zinc/61/61/75/874616175.db2.gz UMZLCTWSUWARHJ-MAUKXSAKSA-N 2 2 396.316 3.740 20 0 GHADLP Ic1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000770376069 874616177 /nfs/dbraw/zinc/61/61/77/874616177.db2.gz UMZLCTWSUWARHJ-MAUKXSAKSA-N 2 2 396.316 3.740 20 0 GHADLP Ic1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000770376069 874616180 /nfs/dbraw/zinc/61/61/80/874616180.db2.gz UMZLCTWSUWARHJ-MAUKXSAKSA-N 2 2 396.316 3.740 20 0 GHADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843451 874618815 /nfs/dbraw/zinc/61/88/15/874618815.db2.gz VACCQHGZVFQMFX-NFBKMPQASA-N 2 2 395.547 3.866 20 0 GHADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843451 874618824 /nfs/dbraw/zinc/61/88/24/874618824.db2.gz VACCQHGZVFQMFX-NFBKMPQASA-N 2 2 395.547 3.866 20 0 GHADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843451 874618831 /nfs/dbraw/zinc/61/88/31/874618831.db2.gz VACCQHGZVFQMFX-NFBKMPQASA-N 2 2 395.547 3.866 20 0 GHADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843451 874618838 /nfs/dbraw/zinc/61/88/38/874618838.db2.gz VACCQHGZVFQMFX-NFBKMPQASA-N 2 2 395.547 3.866 20 0 GHADLP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000528487503 874647335 /nfs/dbraw/zinc/64/73/35/874647335.db2.gz RHVGUBIBSFSSAX-AZUAARDMSA-N 2 2 391.556 3.602 20 0 GHADLP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000528487503 874647339 /nfs/dbraw/zinc/64/73/39/874647339.db2.gz RHVGUBIBSFSSAX-AZUAARDMSA-N 2 2 391.556 3.602 20 0 GHADLP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000528487503 874647349 /nfs/dbraw/zinc/64/73/49/874647349.db2.gz RHVGUBIBSFSSAX-AZUAARDMSA-N 2 2 391.556 3.602 20 0 GHADLP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000528487503 874647353 /nfs/dbraw/zinc/64/73/53/874647353.db2.gz RHVGUBIBSFSSAX-AZUAARDMSA-N 2 2 391.556 3.602 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177887223 882869955 /nfs/dbraw/zinc/86/99/55/882869955.db2.gz IWPQLMUOAJNMKL-SFHVURJKSA-N 2 2 383.540 3.520 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177887223 882869974 /nfs/dbraw/zinc/86/99/74/882869974.db2.gz IWPQLMUOAJNMKL-SFHVURJKSA-N 2 2 383.540 3.520 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C/C=C\c3ccc(Cl)cc3)C2)CC1 ZINC000449493654 874926954 /nfs/dbraw/zinc/92/69/54/874926954.db2.gz FHDDBKBKOPKFPU-RYRPJRTCSA-N 2 2 389.971 3.619 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C/C=C\c3ccc(Cl)cc3)C2)CC1 ZINC000449493654 874926969 /nfs/dbraw/zinc/92/69/69/874926969.db2.gz FHDDBKBKOPKFPU-RYRPJRTCSA-N 2 2 389.971 3.619 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C/C=C\c3ccc(Cl)cc3)C2)CC1 ZINC000449493654 874926979 /nfs/dbraw/zinc/92/69/79/874926979.db2.gz FHDDBKBKOPKFPU-RYRPJRTCSA-N 2 2 389.971 3.619 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C/C=C\c3ccc(Cl)cc3)C2)CC1 ZINC000449493654 874926985 /nfs/dbraw/zinc/92/69/85/874926985.db2.gz FHDDBKBKOPKFPU-RYRPJRTCSA-N 2 2 389.971 3.619 20 0 GHADLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C12CCC2 ZINC000449519653 874990080 /nfs/dbraw/zinc/99/00/80/874990080.db2.gz CEGCBOVYCDLODX-FCHUYYIVSA-N 2 2 385.552 3.547 20 0 GHADLP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000449526649 875003505 /nfs/dbraw/zinc/00/35/05/875003505.db2.gz WZRRTTNXPFJGRW-SFHVURJKSA-N 2 2 395.547 3.839 20 0 GHADLP CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000542135548 875034899 /nfs/dbraw/zinc/03/48/99/875034899.db2.gz UUXDHSONNXIDEE-GOSISDBHSA-N 2 2 384.524 3.801 20 0 GHADLP CC(C)(C)OC(=O)N1CCc2sc(C[NH2+]CCCCn3cc[nH+]c3)cc2C1 ZINC001199648138 875100811 /nfs/dbraw/zinc/10/08/11/875100811.db2.gz FFVWOFMSYVRFHR-UHFFFAOYSA-N 2 2 390.553 3.808 20 0 GHADLP Cc1cc(Br)c(C[NH2+][C@@H](C)CC[NH+](C)C)cc1Br ZINC001199907424 875220823 /nfs/dbraw/zinc/22/08/23/875220823.db2.gz VPFBYXZVHOAQLI-NSHDSACASA-N 2 2 378.152 3.950 20 0 GHADLP CN(C(=O)CC1(c2ccccc2)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000528896893 875237553 /nfs/dbraw/zinc/23/75/53/875237553.db2.gz SGDXJZWVIKVLRO-XZOQPEGZSA-N 2 2 397.607 3.904 20 0 GHADLP CN(C(=O)CC1(c2ccccc2)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000528896893 875237563 /nfs/dbraw/zinc/23/75/63/875237563.db2.gz SGDXJZWVIKVLRO-XZOQPEGZSA-N 2 2 397.607 3.904 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC[C@H](C)[NH+]2CCCCC2)c(C)c1 ZINC000542450304 875594022 /nfs/dbraw/zinc/59/40/22/875594022.db2.gz GOKOUYPMDZTVMM-RBBKRZOGSA-N 2 2 397.567 3.805 20 0 GHADLP Cc1cc2occ(CC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c2cc1C ZINC000172752434 875899761 /nfs/dbraw/zinc/89/97/61/875899761.db2.gz VHRURHRINJJCTF-UHFFFAOYSA-N 2 2 397.563 3.659 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2cc(Cl)sc2Cl)([NH+]2CCCCC2)CC1 ZINC000172752428 875900158 /nfs/dbraw/zinc/90/01/58/875900158.db2.gz RGFVHMMWPNBNCX-UHFFFAOYSA-N 2 2 390.380 3.735 20 0 GHADLP C[C@@H]1C[C@@H](CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC(C)(C)C1 ZINC000303973325 876151616 /nfs/dbraw/zinc/15/16/16/876151616.db2.gz UPCPDRZELCGSLW-UXHICEINSA-N 2 2 377.617 3.905 20 0 GHADLP Cc1ccc(NC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(N(C)C)[nH+]1 ZINC001202394717 876198026 /nfs/dbraw/zinc/19/80/26/876198026.db2.gz FZZBSRMCTSNUNA-ICSRJNTNSA-N 2 2 395.551 3.878 20 0 GHADLP Cc1ccc(NC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(N(C)C)[nH+]1 ZINC001202394717 876198031 /nfs/dbraw/zinc/19/80/31/876198031.db2.gz FZZBSRMCTSNUNA-ICSRJNTNSA-N 2 2 395.551 3.878 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccsc1 ZINC000492079285 876218864 /nfs/dbraw/zinc/21/88/64/876218864.db2.gz KHPLDDODMQDRMM-SFHVURJKSA-N 2 2 398.536 3.593 20 0 GHADLP c1cc2ccc(C[N@H+]3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)cc2[nH]1 ZINC000529526036 876287775 /nfs/dbraw/zinc/28/77/75/876287775.db2.gz PGUDBFGIDIIFME-NRFANRHFSA-N 2 2 389.547 3.597 20 0 GHADLP c1cc2ccc(C[N@@H+]3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)cc2[nH]1 ZINC000529526036 876287791 /nfs/dbraw/zinc/28/77/91/876287791.db2.gz PGUDBFGIDIIFME-NRFANRHFSA-N 2 2 389.547 3.597 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cc2noc(-c3cncc(C)c3)n2)CC1)CC1CC1 ZINC000450651099 876733324 /nfs/dbraw/zinc/73/33/24/876733324.db2.gz KXINDLJQDFNPPI-UHFFFAOYSA-N 2 2 383.540 3.774 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cc2noc(-c3cncc(C)c3)n2)CC1)CC1CC1 ZINC000450651099 876733329 /nfs/dbraw/zinc/73/33/29/876733329.db2.gz KXINDLJQDFNPPI-UHFFFAOYSA-N 2 2 383.540 3.774 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc2c(c1)CCCO2 ZINC000850427975 876911590 /nfs/dbraw/zinc/91/15/90/876911590.db2.gz ADEOZMWFYAEWDF-IBGZPJMESA-N 2 2 396.531 3.573 20 0 GHADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000543699102 877242289 /nfs/dbraw/zinc/24/22/89/877242289.db2.gz BFZTXWSNKMZXAY-SFHVURJKSA-N 2 2 390.890 3.507 20 0 GHADLP CC(C)(C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[NH+]1CCCCC1 ZINC000152651241 877321893 /nfs/dbraw/zinc/32/18/93/877321893.db2.gz KWXXUHFPUZCCRR-UHFFFAOYSA-N 2 2 377.960 3.799 20 0 GHADLP CC(C)Oc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1Cl ZINC000551529045 877385506 /nfs/dbraw/zinc/38/55/06/877385506.db2.gz AGUXUWNYPBKGGT-LPHOPBHVSA-N 2 2 395.975 3.721 20 0 GHADLP CC(C)Oc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1Cl ZINC000551529045 877385525 /nfs/dbraw/zinc/38/55/25/877385525.db2.gz AGUXUWNYPBKGGT-LPHOPBHVSA-N 2 2 395.975 3.721 20 0 GHADLP CC[N@H+](CCCC(=O)NCc1c[nH+]cn1C1CCC1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183055865 912250814 /nfs/dbraw/zinc/25/08/14/912250814.db2.gz NRDMZRLZDINCED-SFHVURJKSA-N 2 2 398.551 3.663 20 0 GHADLP CC[N@@H+](CCCC(=O)NCc1c[nH+]cn1C1CCC1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183055865 912250840 /nfs/dbraw/zinc/25/08/40/912250840.db2.gz NRDMZRLZDINCED-SFHVURJKSA-N 2 2 398.551 3.663 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H](c3ccco3)N3CCCC3)CC2)cc1 ZINC000152285952 877577461 /nfs/dbraw/zinc/57/74/61/877577461.db2.gz KKCKMJPDGSWWGC-QFIPXVFZSA-N 2 2 382.552 3.741 20 0 GHADLP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000530355254 877616527 /nfs/dbraw/zinc/61/65/27/877616527.db2.gz OKRYFGNXHJHIBC-OAQYLSRUSA-N 2 2 383.879 3.766 20 0 GHADLP c1ccc(COC[C@@H]2CC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699426 877664757 /nfs/dbraw/zinc/66/47/57/877664757.db2.gz ANUQBJRSRWYFJE-RPBOFIJWSA-N 2 2 394.559 3.816 20 0 GHADLP c1ccc(COC[C@@H]2CC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699426 877664764 /nfs/dbraw/zinc/66/47/64/877664764.db2.gz ANUQBJRSRWYFJE-RPBOFIJWSA-N 2 2 394.559 3.816 20 0 GHADLP c1ccc(COC[C@@H]2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699426 877664776 /nfs/dbraw/zinc/66/47/76/877664776.db2.gz ANUQBJRSRWYFJE-RPBOFIJWSA-N 2 2 394.559 3.816 20 0 GHADLP c1ccc(COC[C@@H]2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699426 877664787 /nfs/dbraw/zinc/66/47/87/877664787.db2.gz ANUQBJRSRWYFJE-RPBOFIJWSA-N 2 2 394.559 3.816 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477606913 877921080 /nfs/dbraw/zinc/92/10/80/877921080.db2.gz JQUVKJKUKOLRMC-BVGQSLNGSA-N 2 2 383.939 3.897 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477606913 877921090 /nfs/dbraw/zinc/92/10/90/877921090.db2.gz JQUVKJKUKOLRMC-BVGQSLNGSA-N 2 2 383.939 3.897 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245461128 877925166 /nfs/dbraw/zinc/92/51/66/877925166.db2.gz WEJDWGQFNBBZFS-CEXWTWQISA-N 2 2 375.582 3.608 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245461128 877925172 /nfs/dbraw/zinc/92/51/72/877925172.db2.gz WEJDWGQFNBBZFS-CEXWTWQISA-N 2 2 375.582 3.608 20 0 GHADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCCn1cc[nH+]c1 ZINC000285455055 912296921 /nfs/dbraw/zinc/29/69/21/912296921.db2.gz MQIFVBVTIIUPMB-LBPRGKRZSA-N 2 2 388.821 3.952 20 0 GHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@H]2c2cccs2)([NH+]2CCCCC2)CC1 ZINC000176106281 878082983 /nfs/dbraw/zinc/08/29/83/878082983.db2.gz DPDSBTUPIQSEFD-SFHVURJKSA-N 2 2 390.597 3.545 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)c(C)c1 ZINC000460704040 878411452 /nfs/dbraw/zinc/41/14/52/878411452.db2.gz GSJKMCJJLHFLSP-SFTDATJTSA-N 2 2 382.552 3.868 20 0 GHADLP CN(C(=O)c1ccc(F)c(F)c1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245757302 878550069 /nfs/dbraw/zinc/55/00/69/878550069.db2.gz YVNOKYVMSZUTJS-ZWKOTPCHSA-N 2 2 397.485 3.513 20 0 GHADLP CN(C(=O)c1ccc(F)c(F)c1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245757302 878550087 /nfs/dbraw/zinc/55/00/87/878550087.db2.gz YVNOKYVMSZUTJS-ZWKOTPCHSA-N 2 2 397.485 3.513 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000531077245 879064022 /nfs/dbraw/zinc/06/40/22/879064022.db2.gz RHOXOOLUGKIBDA-HXUWFJFHSA-N 2 2 397.910 3.628 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000246177751 879114132 /nfs/dbraw/zinc/11/41/32/879114132.db2.gz CYVUHRXAKYFREY-ZFMNYDKASA-N 2 2 378.605 3.544 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000246177751 879114150 /nfs/dbraw/zinc/11/41/50/879114150.db2.gz CYVUHRXAKYFREY-ZFMNYDKASA-N 2 2 378.605 3.544 20 0 GHADLP C[N@@H+]1CC[C@H](C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[C@@H]1c1ccccc1 ZINC000897366355 879258442 /nfs/dbraw/zinc/25/84/42/879258442.db2.gz MNEDJXPTLHWQNF-VXKWHMMOSA-N 2 2 380.536 3.595 20 0 GHADLP C[N@H+]1CC[C@H](C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[C@@H]1c1ccccc1 ZINC000897366355 879258464 /nfs/dbraw/zinc/25/84/64/879258464.db2.gz MNEDJXPTLHWQNF-VXKWHMMOSA-N 2 2 380.536 3.595 20 0 GHADLP Cc1ccc([C@@H](NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2cccs2)cc1 ZINC000531188885 879278049 /nfs/dbraw/zinc/27/80/49/879278049.db2.gz YVPVEVCHQWJOPZ-OAQYLSRUSA-N 2 2 394.544 3.865 20 0 GHADLP O[C@]1(C[NH2+]Cc2cnc(-c3ccsc3)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000531240007 879387009 /nfs/dbraw/zinc/38/70/09/879387009.db2.gz BCJFIWXTTVTAMK-FQEVSTJZSA-N 2 2 385.558 3.598 20 0 GHADLP O[C@]1(C[NH2+]Cc2cnc(-c3ccsc3)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000531240007 879387028 /nfs/dbraw/zinc/38/70/28/879387028.db2.gz BCJFIWXTTVTAMK-FQEVSTJZSA-N 2 2 385.558 3.598 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc(N2CCOC2=O)c1 ZINC000854223814 879641973 /nfs/dbraw/zinc/64/19/73/879641973.db2.gz HOTSJOSNDWIYKN-IWMITWMQSA-N 2 2 383.467 3.579 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(OC(F)F)cc1 ZINC000538558172 879712825 /nfs/dbraw/zinc/71/28/25/879712825.db2.gz RNOUKUNUPVQAGZ-PBHICJAKSA-N 2 2 376.451 3.996 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1Br ZINC000246739098 879783948 /nfs/dbraw/zinc/78/39/48/879783948.db2.gz GQHOZLRUEGVIRZ-DAYGRLMNSA-N 2 2 394.357 3.501 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1Br ZINC000246739098 879783962 /nfs/dbraw/zinc/78/39/62/879783962.db2.gz GQHOZLRUEGVIRZ-DAYGRLMNSA-N 2 2 394.357 3.501 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Br ZINC000246739098 879783980 /nfs/dbraw/zinc/78/39/80/879783980.db2.gz GQHOZLRUEGVIRZ-DAYGRLMNSA-N 2 2 394.357 3.501 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1Br ZINC000246739098 879783988 /nfs/dbraw/zinc/78/39/88/879783988.db2.gz GQHOZLRUEGVIRZ-DAYGRLMNSA-N 2 2 394.357 3.501 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246898535 879842387 /nfs/dbraw/zinc/84/23/87/879842387.db2.gz MGFSKPGHJDTWMX-PTUXOGIPSA-N 2 2 391.559 3.697 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246898535 879842394 /nfs/dbraw/zinc/84/23/94/879842394.db2.gz MGFSKPGHJDTWMX-PTUXOGIPSA-N 2 2 391.559 3.697 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246898535 879842403 /nfs/dbraw/zinc/84/24/03/879842403.db2.gz MGFSKPGHJDTWMX-PTUXOGIPSA-N 2 2 391.559 3.697 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246898535 879842412 /nfs/dbraw/zinc/84/24/12/879842412.db2.gz MGFSKPGHJDTWMX-PTUXOGIPSA-N 2 2 391.559 3.697 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246917673 879850093 /nfs/dbraw/zinc/85/00/93/879850093.db2.gz CVERIDRBACYMFL-DLBZAZTESA-N 2 2 395.950 3.776 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246917673 879850100 /nfs/dbraw/zinc/85/01/00/879850100.db2.gz CVERIDRBACYMFL-DLBZAZTESA-N 2 2 395.950 3.776 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2ccc(F)cc2)cc1 ZINC000494067095 879871623 /nfs/dbraw/zinc/87/16/23/879871623.db2.gz VAKCCZXHMWXMMT-TZRRMPRUSA-N 2 2 398.522 3.891 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000477777146 879908944 /nfs/dbraw/zinc/90/89/44/879908944.db2.gz XYMPHNOBSZLQLN-IWEFOYFVSA-N 2 2 385.474 3.522 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000477777146 879908950 /nfs/dbraw/zinc/90/89/50/879908950.db2.gz XYMPHNOBSZLQLN-IWEFOYFVSA-N 2 2 385.474 3.522 20 0 GHADLP CN(C(=O)Nc1ccc(F)cc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000247079744 879910944 /nfs/dbraw/zinc/91/09/44/879910944.db2.gz VXABPPFMGSAULH-VQTJNVASSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1ccc(F)cc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247079744 879910954 /nfs/dbraw/zinc/91/09/54/879910954.db2.gz VXABPPFMGSAULH-VQTJNVASSA-N 2 2 394.510 3.766 20 0 GHADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247160468 879933553 /nfs/dbraw/zinc/93/35/53/879933553.db2.gz SRPLZPOTDYZJAF-FXAWDEMLSA-N 2 2 377.960 3.810 20 0 GHADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247160468 879933558 /nfs/dbraw/zinc/93/35/58/879933558.db2.gz SRPLZPOTDYZJAF-FXAWDEMLSA-N 2 2 377.960 3.810 20 0 GHADLP C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247431739 879997688 /nfs/dbraw/zinc/99/76/88/879997688.db2.gz LEKZSFMAQWPXQF-RPHTVSPISA-N 2 2 395.551 3.531 20 0 GHADLP C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[N@H+]1CCC[C@@H](C)C1 ZINC000247431739 879997700 /nfs/dbraw/zinc/99/77/00/879997700.db2.gz LEKZSFMAQWPXQF-RPHTVSPISA-N 2 2 395.551 3.531 20 0 GHADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000183821363 880159720 /nfs/dbraw/zinc/15/97/20/880159720.db2.gz LYRROODLRVQNAU-QZTJIDSGSA-N 2 2 376.541 3.596 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000531939893 880795864 /nfs/dbraw/zinc/79/58/64/880795864.db2.gz PBIBQWZMKBRWCG-HUUCEWRRSA-N 2 2 387.446 3.766 20 0 GHADLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1OC(F)F ZINC000531965518 880832238 /nfs/dbraw/zinc/83/22/38/880832238.db2.gz FOYURKMWWJHWFZ-PXNSSMCTSA-N 2 2 389.490 3.927 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000429526076 880850530 /nfs/dbraw/zinc/85/05/30/880850530.db2.gz GBJGDDDVNBFIRL-IRLDBZIGSA-N 2 2 387.568 3.555 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000429526076 880850542 /nfs/dbraw/zinc/85/05/42/880850542.db2.gz GBJGDDDVNBFIRL-IRLDBZIGSA-N 2 2 387.568 3.555 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000792253619 881017896 /nfs/dbraw/zinc/01/78/96/881017896.db2.gz FCTZQCVONFELHG-PXNSSMCTSA-N 2 2 384.524 3.916 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000792253619 881017922 /nfs/dbraw/zinc/01/79/22/881017922.db2.gz FCTZQCVONFELHG-PXNSSMCTSA-N 2 2 384.524 3.916 20 0 GHADLP C[C@H]1C[C@@H](C[NH+]2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)CCO1 ZINC000453578823 881082877 /nfs/dbraw/zinc/08/28/77/881082877.db2.gz VBMSBOUPFNHHDS-OALUTQOASA-N 2 2 391.987 3.742 20 0 GHADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cnc(-c2ccccc2)o1 ZINC001170194810 881227666 /nfs/dbraw/zinc/22/76/66/881227666.db2.gz PDKZHBDJKACBIK-UHFFFAOYSA-N 2 2 390.531 3.591 20 0 GHADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cnc(-c2ccccc2)o1 ZINC001170194810 881227684 /nfs/dbraw/zinc/22/76/84/881227684.db2.gz PDKZHBDJKACBIK-UHFFFAOYSA-N 2 2 390.531 3.591 20 0 GHADLP O=C(N1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c2ccccc2C1)C(F)(F)F ZINC000858533316 883180243 /nfs/dbraw/zinc/18/02/43/883180243.db2.gz RUXJNUHRQJJYMI-HKUYNNGSSA-N 2 2 395.469 3.629 20 0 GHADLP O=C(N1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c2ccccc2C1)C(F)(F)F ZINC000858533316 883180249 /nfs/dbraw/zinc/18/02/49/883180249.db2.gz RUXJNUHRQJJYMI-HKUYNNGSSA-N 2 2 395.469 3.629 20 0 GHADLP C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000135542789 883438610 /nfs/dbraw/zinc/43/86/10/883438610.db2.gz SQOIWTVGUUAVMB-MRXNPFEDSA-N 2 2 395.482 3.633 20 0 GHADLP CC[C@H]1CC([N@H+](CCC[NH3+])CCC[NH+](C)C)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170470009 883443833 /nfs/dbraw/zinc/44/38/33/883443833.db2.gz NFJFZAXKSWMTSW-OALUTQOASA-N 3 2 398.636 3.546 20 0 GHADLP CC[C@H]1CC([N@@H+](CCC[NH3+])CCC[NH+](C)C)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170470009 883443839 /nfs/dbraw/zinc/44/38/39/883443839.db2.gz NFJFZAXKSWMTSW-OALUTQOASA-N 3 2 398.636 3.546 20 0 GHADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000643473101 912716759 /nfs/dbraw/zinc/71/67/59/912716759.db2.gz PTZJNPQINPUMGE-SFHVURJKSA-N 2 2 381.524 3.882 20 0 GHADLP COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000187136880 883750292 /nfs/dbraw/zinc/75/02/92/883750292.db2.gz DQZOOOHRWMBGMV-UHFFFAOYSA-N 2 2 385.471 3.936 20 0 GHADLP C[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)Cn1cc[nH+]c1 ZINC000527650494 884337350 /nfs/dbraw/zinc/33/73/50/884337350.db2.gz ZUKPSNALNGKARM-NSHDSACASA-N 2 2 380.315 3.523 20 0 GHADLP O[C@H](COc1ccc(Oc2ccccc2)cc1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495009800 884368481 /nfs/dbraw/zinc/36/84/81/884368481.db2.gz VLVHKIHSSOYRQP-OALUTQOASA-N 2 2 393.487 3.821 20 0 GHADLP O[C@H](COc1ccc(Oc2ccccc2)cc1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495009800 884368502 /nfs/dbraw/zinc/36/85/02/884368502.db2.gz VLVHKIHSSOYRQP-OALUTQOASA-N 2 2 393.487 3.821 20 0 GHADLP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000613453276 884641534 /nfs/dbraw/zinc/64/15/34/884641534.db2.gz TXONFXBPQYZCNF-MRXNPFEDSA-N 2 2 387.351 3.683 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000130506734 884702899 /nfs/dbraw/zinc/70/28/99/884702899.db2.gz MHDMEAFLUVGKBV-UHFFFAOYSA-N 2 2 397.544 3.855 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000130506734 884702914 /nfs/dbraw/zinc/70/29/14/884702914.db2.gz MHDMEAFLUVGKBV-UHFFFAOYSA-N 2 2 397.544 3.855 20 0 GHADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCO2 ZINC000556502938 885184878 /nfs/dbraw/zinc/18/48/78/885184878.db2.gz DDVMKHBFTDGOJK-VXKWHMMOSA-N 2 2 396.531 3.790 20 0 GHADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCO2 ZINC000556502938 885184886 /nfs/dbraw/zinc/18/48/86/885184886.db2.gz DDVMKHBFTDGOJK-VXKWHMMOSA-N 2 2 396.531 3.790 20 0 GHADLP Cn1cc[nH+]c1CCNC(=O)CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001183985986 912943511 /nfs/dbraw/zinc/94/35/11/912943511.db2.gz SMOWAGUJFFLKOP-UHFFFAOYSA-N 2 2 390.531 3.561 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000532514328 885907453 /nfs/dbraw/zinc/90/74/53/885907453.db2.gz NIZFXMKRSOGBBX-YOEHRIQHSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000532514328 885907464 /nfs/dbraw/zinc/90/74/64/885907464.db2.gz NIZFXMKRSOGBBX-YOEHRIQHSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000532515537 885910765 /nfs/dbraw/zinc/91/07/65/885910765.db2.gz DVVCJGVPSZOYQG-RHSMWYFYSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000532515537 885910784 /nfs/dbraw/zinc/91/07/84/885910784.db2.gz DVVCJGVPSZOYQG-RHSMWYFYSA-N 2 2 394.357 3.773 20 0 GHADLP CN(C(=O)c1cc2[nH]ccc2s1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000476469383 885953825 /nfs/dbraw/zinc/95/38/25/885953825.db2.gz GOVBERCDVNLWCR-QZTJIDSGSA-N 2 2 388.581 3.639 20 0 GHADLP CN(C(=O)c1cc2[nH]ccc2s1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000476469383 885953836 /nfs/dbraw/zinc/95/38/36/885953836.db2.gz GOVBERCDVNLWCR-QZTJIDSGSA-N 2 2 388.581 3.639 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532550352 885994931 /nfs/dbraw/zinc/99/49/31/885994931.db2.gz JEJNCOZJHNKUJU-VOQZNFBZSA-N 2 2 386.971 3.838 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532550352 885994933 /nfs/dbraw/zinc/99/49/33/885994933.db2.gz JEJNCOZJHNKUJU-VOQZNFBZSA-N 2 2 386.971 3.838 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000532550352 885994934 /nfs/dbraw/zinc/99/49/34/885994934.db2.gz JEJNCOZJHNKUJU-VOQZNFBZSA-N 2 2 386.971 3.838 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000532550352 885994936 /nfs/dbraw/zinc/99/49/36/885994936.db2.gz JEJNCOZJHNKUJU-VOQZNFBZSA-N 2 2 386.971 3.838 20 0 GHADLP CCN(C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000072718569 886345035 /nfs/dbraw/zinc/34/50/35/886345035.db2.gz FYCUZXYPLBZHSZ-RBUKOAKNSA-N 2 2 375.532 3.543 20 0 GHADLP CCN(C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000072718569 886345052 /nfs/dbraw/zinc/34/50/52/886345052.db2.gz FYCUZXYPLBZHSZ-RBUKOAKNSA-N 2 2 375.532 3.543 20 0 GHADLP CN(C(=O)Nc1cc(F)ccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000119285729 886520359 /nfs/dbraw/zinc/52/03/59/886520359.db2.gz YAVTXISQPRVESG-UXHICEINSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1cc(F)ccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000119285729 886520378 /nfs/dbraw/zinc/52/03/78/886520378.db2.gz YAVTXISQPRVESG-UXHICEINSA-N 2 2 394.510 3.766 20 0 GHADLP CC1CC[NH+](CCc2cccc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)c2)CC1 ZINC000537613595 886577220 /nfs/dbraw/zinc/57/72/20/886577220.db2.gz PEBHBHCRXIGZPT-UHFFFAOYSA-N 2 2 389.503 3.794 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000123736981 886667221 /nfs/dbraw/zinc/66/72/21/886667221.db2.gz BNZPPNCZUVAJAL-FQEVSTJZSA-N 2 2 376.504 3.849 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000123736981 886667232 /nfs/dbraw/zinc/66/72/32/886667232.db2.gz BNZPPNCZUVAJAL-FQEVSTJZSA-N 2 2 376.504 3.849 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCCO2 ZINC000132131398 886696009 /nfs/dbraw/zinc/69/60/09/886696009.db2.gz HEWQFRCKXZONSS-NRFANRHFSA-N 2 2 377.488 3.986 20 0 GHADLP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000556922301 886743214 /nfs/dbraw/zinc/74/32/14/886743214.db2.gz BBPBZZVZXZJFJE-QYYYHEGRSA-N 2 2 377.960 3.710 20 0 GHADLP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000556922301 886743222 /nfs/dbraw/zinc/74/32/22/886743222.db2.gz BBPBZZVZXZJFJE-QYYYHEGRSA-N 2 2 377.960 3.710 20 0 GHADLP COc1ccc2oc(C[NH2+][C@@H](CN3CC[NH+](C)CC3)c3ccccc3)cc2c1 ZINC000536528758 886774799 /nfs/dbraw/zinc/77/47/99/886774799.db2.gz QDXSKKFYYNMVQA-QFIPXVFZSA-N 2 2 379.504 3.520 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1c[nH+]c(C)cc1C)c1cccc(OC)c1 ZINC000454213085 886860172 /nfs/dbraw/zinc/86/01/72/886860172.db2.gz FYEXMIBHMMPMFF-OAQYLSRUSA-N 2 2 384.524 3.589 20 0 GHADLP COc1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000237377314 886941911 /nfs/dbraw/zinc/94/19/11/886941911.db2.gz OEMUGNGCKOPCKH-UHFFFAOYSA-N 2 2 385.527 3.522 20 0 GHADLP CC(C)NC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000128078289 887144270 /nfs/dbraw/zinc/14/42/70/887144270.db2.gz LKYXBDAIRVKFCF-AVRDEDQJSA-N 2 2 395.551 3.612 20 0 GHADLP CC(C)NC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000128078289 887144274 /nfs/dbraw/zinc/14/42/74/887144274.db2.gz LKYXBDAIRVKFCF-AVRDEDQJSA-N 2 2 395.551 3.612 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1-c1noc([C@H]([NH3+])c2cccc(OC)c2)n1 ZINC000863669369 887278049 /nfs/dbraw/zinc/27/80/49/887278049.db2.gz WILHZUNGYGFRFU-HXUWFJFHSA-N 2 2 396.491 3.514 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536594539 887397460 /nfs/dbraw/zinc/39/74/60/887397460.db2.gz RYZZGHRTWRXJDX-FVJLSDCUSA-N 2 2 376.504 3.629 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536594539 887397471 /nfs/dbraw/zinc/39/74/71/887397471.db2.gz RYZZGHRTWRXJDX-FVJLSDCUSA-N 2 2 376.504 3.629 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC000809627825 887628241 /nfs/dbraw/zinc/62/82/41/887628241.db2.gz HPQGHLBMMBJGHX-AFMYVXGZSA-N 2 2 384.524 3.887 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@H]21 ZINC000459358704 887660682 /nfs/dbraw/zinc/66/06/82/887660682.db2.gz NCZQUDBOCILTLA-PGRDOPGGSA-N 2 2 379.552 3.976 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@H]21 ZINC000459358704 887660687 /nfs/dbraw/zinc/66/06/87/887660687.db2.gz NCZQUDBOCILTLA-PGRDOPGGSA-N 2 2 379.552 3.976 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@H]21 ZINC000459358704 887660693 /nfs/dbraw/zinc/66/06/93/887660693.db2.gz NCZQUDBOCILTLA-PGRDOPGGSA-N 2 2 379.552 3.976 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@H]21 ZINC000459358704 887660699 /nfs/dbraw/zinc/66/06/99/887660699.db2.gz NCZQUDBOCILTLA-PGRDOPGGSA-N 2 2 379.552 3.976 20 0 GHADLP CN(Cc1cccc2ccccc21)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051760567 887782882 /nfs/dbraw/zinc/78/28/82/887782882.db2.gz PRZAJYNPBDPNNT-UHFFFAOYSA-N 2 2 394.563 3.540 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(C)nn(-c2ccccn2)c1Cl ZINC000809756535 887796920 /nfs/dbraw/zinc/79/69/20/887796920.db2.gz SDGVTWVAIHYHPZ-UHFFFAOYSA-N 2 2 386.931 3.900 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(C)nn(-c2ccccn2)c1Cl ZINC000809756535 887796937 /nfs/dbraw/zinc/79/69/37/887796937.db2.gz SDGVTWVAIHYHPZ-UHFFFAOYSA-N 2 2 386.931 3.900 20 0 GHADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000810218248 888297087 /nfs/dbraw/zinc/29/70/87/888297087.db2.gz HOZPJXYTUKLUFC-NSHGMRRFSA-N 2 2 390.572 3.575 20 0 GHADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000810218248 888297095 /nfs/dbraw/zinc/29/70/95/888297095.db2.gz HOZPJXYTUKLUFC-NSHGMRRFSA-N 2 2 390.572 3.575 20 0 GHADLP C[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1 ZINC000763218411 888349769 /nfs/dbraw/zinc/34/97/69/888349769.db2.gz WMLCHYZRNYVVOF-QZTJIDSGSA-N 2 2 391.625 3.969 20 0 GHADLP C[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1 ZINC000763218411 888349779 /nfs/dbraw/zinc/34/97/79/888349779.db2.gz WMLCHYZRNYVVOF-QZTJIDSGSA-N 2 2 391.625 3.969 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001132404318 888774182 /nfs/dbraw/zinc/77/41/82/888774182.db2.gz CLQQECNXHPQDSE-INIZCTEOSA-N 2 2 390.478 3.536 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001132404318 888774186 /nfs/dbraw/zinc/77/41/86/888774186.db2.gz CLQQECNXHPQDSE-INIZCTEOSA-N 2 2 390.478 3.536 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)CC2)cc1 ZINC000866368304 888848567 /nfs/dbraw/zinc/84/85/67/888848567.db2.gz ZTRBXKMLWGZVJZ-GOTSBHOMSA-N 2 2 385.552 3.547 20 0 GHADLP CCC1(CNC(=O)NCCCCn2cc[nH+]c2)CC[NH+](Cc2ccccc2)CC1 ZINC000532807707 888985659 /nfs/dbraw/zinc/98/56/59/888985659.db2.gz OFVHMKVTGMLEJG-UHFFFAOYSA-N 2 2 397.567 3.655 20 0 GHADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000465527373 889246364 /nfs/dbraw/zinc/24/63/64/889246364.db2.gz VTVXUPYWCVBREU-UXHICEINSA-N 2 2 392.632 3.841 20 0 GHADLP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000868139149 889315460 /nfs/dbraw/zinc/31/54/60/889315460.db2.gz YYUSIPMDHBYDJY-QHCPKHFHSA-N 2 2 393.535 3.831 20 0 GHADLP COc1cc2c(cc1C[NH2+]C1CC[NH+]([C@H](C)c3ccncc3)CC1)O[C@H](C)C2 ZINC000533038448 889591566 /nfs/dbraw/zinc/59/15/66/889591566.db2.gz GCASSIAJIYXLCF-IAGOWNOFSA-N 2 2 381.520 3.729 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000533067266 889624454 /nfs/dbraw/zinc/62/44/54/889624454.db2.gz NPNGDVQFCPONIX-RXVVDRJESA-N 2 2 388.515 3.883 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000533067266 889624459 /nfs/dbraw/zinc/62/44/59/889624459.db2.gz NPNGDVQFCPONIX-RXVVDRJESA-N 2 2 388.515 3.883 20 0 GHADLP CCc1oc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000124707895 889731867 /nfs/dbraw/zinc/73/18/67/889731867.db2.gz DGUIXTPDXUOVBU-RBUKOAKNSA-N 2 2 375.557 3.560 20 0 GHADLP CCc1oc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000124707895 889731873 /nfs/dbraw/zinc/73/18/73/889731873.db2.gz DGUIXTPDXUOVBU-RBUKOAKNSA-N 2 2 375.557 3.560 20 0 GHADLP CN(C(=O)c1ccc(F)c(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124712744 889733342 /nfs/dbraw/zinc/73/33/42/889733342.db2.gz QRCKVTWFWZPWMV-UXHICEINSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1ccc(F)c(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124712744 889733347 /nfs/dbraw/zinc/73/33/47/889733347.db2.gz QRCKVTWFWZPWMV-UXHICEINSA-N 2 2 395.950 3.888 20 0 GHADLP Cc1ccc2cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)[nH]c2c1 ZINC000124728633 889739648 /nfs/dbraw/zinc/73/96/48/889739648.db2.gz VEKXNDWUVCQIAB-XZOQPEGZSA-N 2 2 396.579 3.886 20 0 GHADLP Cc1ccc2cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)[nH]c2c1 ZINC000124728633 889739656 /nfs/dbraw/zinc/73/96/56/889739656.db2.gz VEKXNDWUVCQIAB-XZOQPEGZSA-N 2 2 396.579 3.886 20 0 GHADLP CN(C(=O)Cc1ccc(Cl)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124797074 889766332 /nfs/dbraw/zinc/76/63/32/889766332.db2.gz KASYZCHJABQMQR-RTWAWAEBSA-N 2 2 391.987 3.678 20 0 GHADLP CN(C(=O)Cc1ccc(Cl)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124797074 889766337 /nfs/dbraw/zinc/76/63/37/889766337.db2.gz KASYZCHJABQMQR-RTWAWAEBSA-N 2 2 391.987 3.678 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@H](O)Cn1c3ccccc3c3ccccc31)CCC2 ZINC000644606194 913396670 /nfs/dbraw/zinc/39/66/70/913396670.db2.gz UHGKQUOEERIRQL-MOPGFXCFSA-N 2 2 388.515 3.828 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000533307265 890259338 /nfs/dbraw/zinc/25/93/38/890259338.db2.gz UFMMZRCLPKHSEM-INIZCTEOSA-N 2 2 387.549 3.996 20 0 GHADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000533307265 890259353 /nfs/dbraw/zinc/25/93/53/890259353.db2.gz UFMMZRCLPKHSEM-INIZCTEOSA-N 2 2 387.549 3.996 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(C)c1 ZINC000533542810 890808824 /nfs/dbraw/zinc/80/88/24/890808824.db2.gz LUAJGPMZGYKVIR-IRLDBZIGSA-N 2 2 395.551 3.511 20 0 GHADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000533576364 890881765 /nfs/dbraw/zinc/88/17/65/890881765.db2.gz KIAJBVCQOWLMQD-NRFANRHFSA-N 2 2 393.535 3.510 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCOc3ccc(F)c(F)c3)CC2)cc1 ZINC000812831416 891014055 /nfs/dbraw/zinc/01/40/55/891014055.db2.gz MMKIQUMKLJDKDL-UHFFFAOYSA-N 2 2 375.463 3.668 20 0 GHADLP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812842965 891032190 /nfs/dbraw/zinc/03/21/90/891032190.db2.gz CBRYKCCMSWTXFN-NLFFAJNJSA-N 2 2 392.591 3.832 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@H]1CCc3cc(F)cc(F)c3C1)CC2 ZINC001170689556 891071878 /nfs/dbraw/zinc/07/18/78/891071878.db2.gz LDSSKUXSYCDIGH-KRWDZBQOSA-N 2 2 388.506 3.719 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@H]1CCc3cc(F)cc(F)c3C1)CC2 ZINC001170689556 891071890 /nfs/dbraw/zinc/07/18/90/891071890.db2.gz LDSSKUXSYCDIGH-KRWDZBQOSA-N 2 2 388.506 3.719 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@@H](c3ccn(C)n3)c3ccc(F)cc3)CC2)[nH+]1 ZINC000497400670 891498905 /nfs/dbraw/zinc/49/89/05/891498905.db2.gz VFXUTWNWZQNJSG-JOCHJYFZSA-N 2 2 379.483 3.611 20 0 GHADLP COc1cc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000237389710 891627343 /nfs/dbraw/zinc/62/73/43/891627343.db2.gz MJIBOAMYVBHOHX-OALUTQOASA-N 2 2 398.547 3.960 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497473132 891651734 /nfs/dbraw/zinc/65/17/34/891651734.db2.gz PSPCEOKQXICZGP-FCHUYYIVSA-N 2 2 399.485 3.736 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497473132 891651741 /nfs/dbraw/zinc/65/17/41/891651741.db2.gz PSPCEOKQXICZGP-FCHUYYIVSA-N 2 2 399.485 3.736 20 0 GHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497501684 891714567 /nfs/dbraw/zinc/71/45/67/891714567.db2.gz CKMKEMAVTJCBBL-XUVXKRRUSA-N 2 2 389.902 3.819 20 0 GHADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497501684 891714572 /nfs/dbraw/zinc/71/45/72/891714572.db2.gz CKMKEMAVTJCBBL-XUVXKRRUSA-N 2 2 389.902 3.819 20 0 GHADLP CN(C)[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(F)cc1 ZINC000124832094 891992386 /nfs/dbraw/zinc/99/23/86/891992386.db2.gz IUQXUMQDEUILIH-HSZRJFAPSA-N 2 2 384.543 3.753 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc2c(s1)CCC2 ZINC000162029813 892020421 /nfs/dbraw/zinc/02/04/21/892020421.db2.gz FNADXXOEFXUIFM-QGZVFWFLSA-N 2 2 386.561 3.799 20 0 GHADLP CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@@H+]3CC[C@](C)(C[NH3+])C3)ccc21 ZINC000261822841 892131908 /nfs/dbraw/zinc/13/19/08/892131908.db2.gz PNRLRGIFQCERRA-QMHKHESXSA-N 2 2 378.520 3.812 20 0 GHADLP CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@H+]3CC[C@](C)(C[NH3+])C3)ccc21 ZINC000261822841 892131922 /nfs/dbraw/zinc/13/19/22/892131922.db2.gz PNRLRGIFQCERRA-QMHKHESXSA-N 2 2 378.520 3.812 20 0 GHADLP C[NH2+]CCC1CC[NH+]([C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)CC1 ZINC000262024992 892199918 /nfs/dbraw/zinc/19/99/18/892199918.db2.gz ZEEQGMJRENNHOR-KBPBESRZSA-N 2 2 388.581 3.904 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccc3nccnc3c1)CC2 ZINC001137085872 892476048 /nfs/dbraw/zinc/47/60/48/892476048.db2.gz WGLIEOSBHYSQBM-UHFFFAOYSA-N 2 2 391.519 3.865 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccc3nccnc3c1)CC2 ZINC001137085872 892476054 /nfs/dbraw/zinc/47/60/54/892476054.db2.gz WGLIEOSBHYSQBM-UHFFFAOYSA-N 2 2 391.519 3.865 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000428687610 893237617 /nfs/dbraw/zinc/23/76/17/893237617.db2.gz FNYVMADQXUABSK-HXUWFJFHSA-N 2 2 391.604 3.624 20 0 GHADLP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000778216788 893390678 /nfs/dbraw/zinc/39/06/78/893390678.db2.gz PLPMCVKNQWLDNE-YOEHRIQHSA-N 2 2 376.526 3.669 20 0 GHADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000129495575 893510227 /nfs/dbraw/zinc/51/02/27/893510227.db2.gz BCTDKDPZLNSNTM-QZTJIDSGSA-N 2 2 386.458 3.608 20 0 GHADLP COc1cnc([C@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)[nH]c1=O ZINC000934277980 893517910 /nfs/dbraw/zinc/51/79/10/893517910.db2.gz DVTFBMQRGRVBQW-LJQANCHMSA-N 2 2 382.508 3.514 20 0 GHADLP COc1cnc([C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)[nH]c1=O ZINC000934277980 893517923 /nfs/dbraw/zinc/51/79/23/893517923.db2.gz DVTFBMQRGRVBQW-LJQANCHMSA-N 2 2 382.508 3.514 20 0 GHADLP [NH3+][C@@H](C[C@@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1)C1CCCC1 ZINC000877448090 893611292 /nfs/dbraw/zinc/61/12/92/893611292.db2.gz CUDTZSRIOYMRQV-UGKGYDQZSA-N 2 2 380.536 3.691 20 0 GHADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000536845012 893921220 /nfs/dbraw/zinc/92/12/20/893921220.db2.gz IYMNGSALNJIHBH-RCCFBDPRSA-N 2 2 397.332 3.543 20 0 GHADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC1 ZINC000459690159 894079133 /nfs/dbraw/zinc/07/91/33/894079133.db2.gz IQHRPTIESDKEAV-GNUPYSACSA-N 2 2 378.582 3.954 20 0 GHADLP O[C@]1(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000537116763 894367112 /nfs/dbraw/zinc/36/71/12/894367112.db2.gz WFAHTNFGCKFYSD-IRLDBZIGSA-N 2 2 386.923 3.780 20 0 GHADLP O[C@]1(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000537116763 894367125 /nfs/dbraw/zinc/36/71/25/894367125.db2.gz WFAHTNFGCKFYSD-IRLDBZIGSA-N 2 2 386.923 3.780 20 0 GHADLP COc1ccc2c(c1)[C@H](Nc1ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]1)CCCO2 ZINC000537455505 895037295 /nfs/dbraw/zinc/03/72/95/895037295.db2.gz DTJGWBBZCWNEOA-YLJYHZDGSA-N 2 2 382.508 3.556 20 0 GHADLP COc1cccc(C[C@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)C2CC2)c1 ZINC000537457796 895076676 /nfs/dbraw/zinc/07/66/76/895076676.db2.gz QWAHBLCHPJMWHV-IRLDBZIGSA-N 2 2 380.536 3.664 20 0 GHADLP COc1cccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cs2)c1OC ZINC000564662468 895164186 /nfs/dbraw/zinc/16/41/86/895164186.db2.gz ZIPQATPBKBRYFU-ILXRZTDVSA-N 2 2 375.538 3.633 20 0 GHADLP COc1cccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cs2)c1OC ZINC000564662468 895164190 /nfs/dbraw/zinc/16/41/90/895164190.db2.gz ZIPQATPBKBRYFU-ILXRZTDVSA-N 2 2 375.538 3.633 20 0 GHADLP CC[N@H+](Cc1ccc(-c2nc([C@H]3C[NH+]4CCCC[C@H]4CO3)no2)cc1)C(C)C ZINC000565460743 895647537 /nfs/dbraw/zinc/64/75/37/895647537.db2.gz GRYIDAZMBFMONA-VQTJNVASSA-N 2 2 384.524 3.893 20 0 GHADLP CC[N@@H+](Cc1ccc(-c2nc([C@H]3C[NH+]4CCCC[C@H]4CO3)no2)cc1)C(C)C ZINC000565460743 895647542 /nfs/dbraw/zinc/64/75/42/895647542.db2.gz GRYIDAZMBFMONA-VQTJNVASSA-N 2 2 384.524 3.893 20 0 GHADLP CC[NH+](Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1)C(C)C ZINC000565460743 895647549 /nfs/dbraw/zinc/64/75/49/895647549.db2.gz GRYIDAZMBFMONA-VQTJNVASSA-N 2 2 384.524 3.893 20 0 GHADLP CC[NH+](Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1)C(C)C ZINC000565460743 895647553 /nfs/dbraw/zinc/64/75/53/895647553.db2.gz GRYIDAZMBFMONA-VQTJNVASSA-N 2 2 384.524 3.893 20 0 GHADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880567527 895750909 /nfs/dbraw/zinc/75/09/09/895750909.db2.gz JPXDRJSHUWAYFX-QGZVFWFLSA-N 2 2 388.924 3.588 20 0 GHADLP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000565862267 895939558 /nfs/dbraw/zinc/93/95/58/895939558.db2.gz XZIUUHJTLJLHMW-WBVHZDCISA-N 2 2 399.398 3.763 20 0 GHADLP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000565862267 895939568 /nfs/dbraw/zinc/93/95/68/895939568.db2.gz XZIUUHJTLJLHMW-WBVHZDCISA-N 2 2 399.398 3.763 20 0 GHADLP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000565862267 895939571 /nfs/dbraw/zinc/93/95/71/895939571.db2.gz XZIUUHJTLJLHMW-WBVHZDCISA-N 2 2 399.398 3.763 20 0 GHADLP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000565862267 895939580 /nfs/dbraw/zinc/93/95/80/895939580.db2.gz XZIUUHJTLJLHMW-WBVHZDCISA-N 2 2 399.398 3.763 20 0 GHADLP COc1cc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)ccc1SC(F)F ZINC000817950668 895974748 /nfs/dbraw/zinc/97/47/48/895974748.db2.gz ZKQKAUCZSZCDRC-ZDUSSCGKSA-N 2 2 394.491 3.988 20 0 GHADLP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000566114388 896118439 /nfs/dbraw/zinc/11/84/39/896118439.db2.gz HKTCVEPFUXFSLK-KNQAVFIVSA-N 2 2 397.563 3.760 20 0 GHADLP C[C@H](OC[C@@H](O)C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000566116456 896119676 /nfs/dbraw/zinc/11/96/76/896119676.db2.gz IZYSCMADMPWKIB-KKSFZXQISA-N 2 2 385.895 3.754 20 0 GHADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000566595899 896402093 /nfs/dbraw/zinc/40/20/93/896402093.db2.gz NZVXOUOQTSNRMW-UHFFFAOYSA-N 2 2 375.476 3.944 20 0 GHADLP COc1ccc(OC)c([C@H](O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000819184170 896454401 /nfs/dbraw/zinc/45/44/01/896454401.db2.gz CHYHMQOBIHFMHD-FGZHOGPDSA-N 2 2 395.503 3.582 20 0 GHADLP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566677994 896484095 /nfs/dbraw/zinc/48/40/95/896484095.db2.gz KVEZSZSZSAUYHS-QHCPKHFHSA-N 3 2 393.575 3.914 20 0 GHADLP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566677994 896484106 /nfs/dbraw/zinc/48/41/06/896484106.db2.gz KVEZSZSZSAUYHS-QHCPKHFHSA-N 3 2 393.575 3.914 20 0 GHADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1F ZINC000826283085 896865933 /nfs/dbraw/zinc/86/59/33/896865933.db2.gz JZCKZPODZYCVDI-MRXNPFEDSA-N 2 2 394.498 3.629 20 0 GHADLP Clc1cccc(N2CC[NH+](C3CC[NH+](CCC[C@@H]4CCOC4)CC3)CC2)c1 ZINC000645927245 914134013 /nfs/dbraw/zinc/13/40/13/914134013.db2.gz ZFVCDUGAMZARTR-LJQANCHMSA-N 2 2 391.987 3.743 20 0 GHADLP Oc1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc(C(F)(F)F)c1 ZINC000567524281 897222530 /nfs/dbraw/zinc/22/25/30/897222530.db2.gz IARJWZNHDSMOLT-UHFFFAOYSA-N 2 2 380.410 3.533 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2c3c(nn2C)CCSC3)c(C)c1 ZINC000883073112 897254189 /nfs/dbraw/zinc/25/41/89/897254189.db2.gz GWMTVEHHAOSIMH-FQEVSTJZSA-N 2 2 381.549 3.554 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@H]2CCc3cccc(F)c3C2)cs1 ZINC001170957072 897651754 /nfs/dbraw/zinc/65/17/54/897651754.db2.gz JTIVFCPVMSERAL-HNNXBMFYSA-N 2 2 379.570 3.724 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4cccc(F)c4C3)CC2)cc1 ZINC001170968222 897964999 /nfs/dbraw/zinc/96/49/99/897964999.db2.gz CAEAMQPRFDCYFT-OAQYLSRUSA-N 2 2 396.506 3.724 20 0 GHADLP c1ccc([C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C2CC2)cc1 ZINC001202569288 898132804 /nfs/dbraw/zinc/13/28/04/898132804.db2.gz AFSPMBIEKCQKMK-XMMPIXPASA-N 2 2 380.532 3.681 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)Cc1ccc(C(F)(F)F)cc1 ZINC000568976563 898253909 /nfs/dbraw/zinc/25/39/09/898253909.db2.gz YDNFSNBYMULAAB-GOSISDBHSA-N 2 2 375.394 3.584 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1-c1noc([C@H]2[NH2+]CCc3ccccc32)n1 ZINC000822920463 898723241 /nfs/dbraw/zinc/72/32/41/898723241.db2.gz WQJFAWSBUUURGA-NRFANRHFSA-N 2 2 392.503 3.692 20 0 GHADLP C[C@@H]1C[C@@H](C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000823684367 899185845 /nfs/dbraw/zinc/18/58/45/899185845.db2.gz UOUOGIUMRBHZHB-FGTMMUONSA-N 2 2 378.561 3.923 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C[C@@H]1c1ccccc1 ZINC000824208752 899455811 /nfs/dbraw/zinc/45/58/11/899455811.db2.gz HARIAVXUAWCMME-SLFFLAALSA-N 2 2 396.535 3.928 20 0 GHADLP C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333011553 899891991 /nfs/dbraw/zinc/89/19/91/899891991.db2.gz FXUFIRJSIRMREK-INIZCTEOSA-N 2 2 383.544 3.652 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCO[C@@H](c4cccnc4)C3)CC2)cc1 ZINC000824932841 899893837 /nfs/dbraw/zinc/89/38/37/899893837.db2.gz YABSXDRDVVQZDD-NFBKMPQASA-N 2 2 380.536 3.626 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000333243104 900062612 /nfs/dbraw/zinc/06/26/12/900062612.db2.gz ITQWVHPYBFZXPD-KRWDZBQOSA-N 2 2 381.524 3.524 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000333243104 900062625 /nfs/dbraw/zinc/06/26/25/900062625.db2.gz ITQWVHPYBFZXPD-KRWDZBQOSA-N 2 2 381.524 3.524 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(OC)ccc2Br)[C@@H](C)C1 ZINC000573022728 900345167 /nfs/dbraw/zinc/34/51/67/900345167.db2.gz UNQOKKUSAPJVKU-HNAYVOBHSA-N 2 2 399.373 3.684 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(OC)ccc2Br)[C@@H](C)C1 ZINC000573022728 900345181 /nfs/dbraw/zinc/34/51/81/900345181.db2.gz UNQOKKUSAPJVKU-HNAYVOBHSA-N 2 2 399.373 3.684 20 0 GHADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3cc[nH+]c(N4CCCC4)c3)ccc21 ZINC000573299632 900452658 /nfs/dbraw/zinc/45/26/58/900452658.db2.gz NJFZJGZJICTPDP-FQEVSTJZSA-N 2 2 379.508 3.552 20 0 GHADLP COCOc1ccc(OC)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000135894495 900490284 /nfs/dbraw/zinc/49/02/84/900490284.db2.gz DJENOLQLEJHECD-GHTZIAJQSA-N 2 2 384.520 3.821 20 0 GHADLP COCOc1ccc(OC)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000135894495 900490288 /nfs/dbraw/zinc/49/02/88/900490288.db2.gz DJENOLQLEJHECD-GHTZIAJQSA-N 2 2 384.520 3.821 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ncc(-c2cccc(Br)c2)o1 ZINC000844221698 900589261 /nfs/dbraw/zinc/58/92/61/900589261.db2.gz SWJZSKPGRCNHAC-MQVJKMGUSA-N 2 2 376.298 3.948 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ncc(-c2cccc(Br)c2)o1 ZINC000844221698 900589269 /nfs/dbraw/zinc/58/92/69/900589269.db2.gz SWJZSKPGRCNHAC-MQVJKMGUSA-N 2 2 376.298 3.948 20 0 GHADLP FC(F)(F)Oc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1Br ZINC000573885979 900687094 /nfs/dbraw/zinc/68/70/94/900687094.db2.gz AZWYQSAGQZOJTP-JTQLQIEISA-N 2 2 390.203 3.718 20 0 GHADLP C[NH+](C)CCOc1cccc(Nc2cc(Br)cn3cc[nH+]c23)c1 ZINC001212804016 900749427 /nfs/dbraw/zinc/74/94/27/900749427.db2.gz HTIRHPALFIORAK-UHFFFAOYSA-N 2 2 375.270 3.781 20 0 GHADLP COc1ncc(Br)cc1C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886659931 901212303 /nfs/dbraw/zinc/21/23/03/901212303.db2.gz YVHXTRUCABZKCU-UHFFFAOYSA-N 2 2 379.302 3.572 20 0 GHADLP Cc1[nH]c(C2CC[NH+](C[C@@H](O)c3cccc(Br)c3)CC2)[nH+]c1C ZINC000886667765 901215659 /nfs/dbraw/zinc/21/56/59/901215659.db2.gz HLDRQRIDQKYEFJ-QGZVFWFLSA-N 2 2 378.314 3.702 20 0 GHADLP C[C@H]([NH2+]Cc1nc(Cc2ccccc2F)no1)c1ccc(OCC[NH+](C)C)cc1 ZINC000886714819 901244372 /nfs/dbraw/zinc/24/43/72/901244372.db2.gz VQHGVKWYOBQUAS-INIZCTEOSA-N 2 2 398.482 3.591 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)c(Br)c1 ZINC001144212351 901263586 /nfs/dbraw/zinc/26/35/86/901263586.db2.gz VYPPDXBTHBUHCM-UHFFFAOYSA-N 2 2 387.119 3.930 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)c(Br)c1 ZINC001144212351 901263600 /nfs/dbraw/zinc/26/36/00/901263600.db2.gz VYPPDXBTHBUHCM-UHFFFAOYSA-N 2 2 387.119 3.930 20 0 GHADLP C[N@H+](Cc1c[nH]nc1-c1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645197 901503205 /nfs/dbraw/zinc/50/32/05/901503205.db2.gz PRQNERLUIUZYOD-UHFFFAOYSA-N 2 2 375.520 3.611 20 0 GHADLP C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645197 901503215 /nfs/dbraw/zinc/50/32/15/901503215.db2.gz PRQNERLUIUZYOD-UHFFFAOYSA-N 2 2 375.520 3.611 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000093318191 901539398 /nfs/dbraw/zinc/53/93/98/901539398.db2.gz SZYLEWBOKUVYHI-CVDCTZTESA-N 2 2 389.547 3.967 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000093318191 901539403 /nfs/dbraw/zinc/53/94/03/901539403.db2.gz SZYLEWBOKUVYHI-CVDCTZTESA-N 2 2 389.547 3.967 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000093318191 901539412 /nfs/dbraw/zinc/53/94/12/901539412.db2.gz SZYLEWBOKUVYHI-CVDCTZTESA-N 2 2 389.547 3.967 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000093318191 901539423 /nfs/dbraw/zinc/53/94/23/901539423.db2.gz SZYLEWBOKUVYHI-CVDCTZTESA-N 2 2 389.547 3.967 20 0 GHADLP CC[N@@H+](Cc1cn(C)nc1-c1cccnc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564649 901554898 /nfs/dbraw/zinc/55/48/98/901554898.db2.gz FHZMKHGUXWTOBJ-UHFFFAOYSA-N 2 2 390.535 3.616 20 0 GHADLP CC[N@H+](Cc1cn(C)nc1-c1cccnc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564649 901554904 /nfs/dbraw/zinc/55/49/04/901554904.db2.gz FHZMKHGUXWTOBJ-UHFFFAOYSA-N 2 2 390.535 3.616 20 0 GHADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000576371595 901979208 /nfs/dbraw/zinc/97/92/08/901979208.db2.gz IHYCMOPSGIJBSG-QAQDUYKDSA-N 2 2 381.524 3.773 20 0 GHADLP C[C@@H](c1nnc(SCC[C@H]2CCC[N@@H+]2C)n1-c1ccc(F)cc1)[NH+](C)C ZINC000124291916 902048870 /nfs/dbraw/zinc/04/88/70/902048870.db2.gz OJICVTXGKDUGDT-GOEBONIOSA-N 2 2 377.533 3.605 20 0 GHADLP C[C@@H](c1nnc(SCC[C@H]2CCC[N@H+]2C)n1-c1ccc(F)cc1)[NH+](C)C ZINC000124291916 902048874 /nfs/dbraw/zinc/04/88/74/902048874.db2.gz OJICVTXGKDUGDT-GOEBONIOSA-N 2 2 377.533 3.605 20 0 GHADLP COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1 ZINC001144483866 902248801 /nfs/dbraw/zinc/24/88/01/902248801.db2.gz AXXZBUKDCSINGM-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1 ZINC001144483866 902248811 /nfs/dbraw/zinc/24/88/11/902248811.db2.gz AXXZBUKDCSINGM-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1cc(Cl)cc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c1 ZINC001144483866 902248824 /nfs/dbraw/zinc/24/88/24/902248824.db2.gz AXXZBUKDCSINGM-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1cc(Cl)cc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c1 ZINC001144483866 902248832 /nfs/dbraw/zinc/24/88/32/902248832.db2.gz AXXZBUKDCSINGM-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1c(F)cc(O)cc1F)CC2 ZINC001144550459 902362296 /nfs/dbraw/zinc/36/22/96/902362296.db2.gz MMCFHFCYAIVPDB-UHFFFAOYSA-N 2 2 387.474 3.942 20 0 GHADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1c(F)cc(O)cc1F)CC2 ZINC001144550459 902362308 /nfs/dbraw/zinc/36/23/08/902362308.db2.gz MMCFHFCYAIVPDB-UHFFFAOYSA-N 2 2 387.474 3.942 20 0 GHADLP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000779015052 902864552 /nfs/dbraw/zinc/86/45/52/902864552.db2.gz MMLUWAJQAYLQNC-DBVUQKKJSA-N 2 2 388.556 3.692 20 0 GHADLP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000779015052 902864560 /nfs/dbraw/zinc/86/45/60/902864560.db2.gz MMLUWAJQAYLQNC-DBVUQKKJSA-N 2 2 388.556 3.692 20 0 GHADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccncc2OCCC[NH+](C)C)CC1 ZINC000577676390 903036021 /nfs/dbraw/zinc/03/60/21/903036021.db2.gz BYTORNPSPYPGDB-UGKGYDQZSA-N 3 2 388.600 3.545 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](NCC[N@@H+]3CCc4ccccc4C3)CC23CC3)cc1 ZINC000577729660 903135765 /nfs/dbraw/zinc/13/57/65/903135765.db2.gz VBYDULLEPYHMEQ-DEOSSOPVSA-N 2 2 375.560 3.832 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](NCC[N@H+]3CCc4ccccc4C3)CC23CC3)cc1 ZINC000577729660 903135770 /nfs/dbraw/zinc/13/57/70/903135770.db2.gz VBYDULLEPYHMEQ-DEOSSOPVSA-N 2 2 375.560 3.832 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H](NCC[NH+]3CCc4ccccc4C3)CC23CC3)cc1 ZINC000577729660 903135775 /nfs/dbraw/zinc/13/57/75/903135775.db2.gz VBYDULLEPYHMEQ-DEOSSOPVSA-N 2 2 375.560 3.832 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H](NCC[NH+]3CCc4ccccc4C3)CC23CC3)cc1 ZINC000577729660 903135780 /nfs/dbraw/zinc/13/57/80/903135780.db2.gz VBYDULLEPYHMEQ-DEOSSOPVSA-N 2 2 375.560 3.832 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1Br ZINC000132874023 903321307 /nfs/dbraw/zinc/32/13/07/903321307.db2.gz HIWRQGAWQNXSDN-KBPBESRZSA-N 2 2 385.321 3.740 20 0 GHADLP CCN(CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(=O)OC(C)(C)C ZINC000159480118 903368091 /nfs/dbraw/zinc/36/80/91/903368091.db2.gz UDPHXESBGGAOET-UHFFFAOYSA-N 2 2 390.572 3.568 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cnc(C4CC4)s3)CC2)cc1 ZINC000577972665 903402429 /nfs/dbraw/zinc/40/24/29/903402429.db2.gz RTRNVJJLJAIEOD-UHFFFAOYSA-N 2 2 384.549 3.733 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4cccc(Cl)c4s3)CC2)CC1 ZINC000578239266 903643902 /nfs/dbraw/zinc/64/39/02/903643902.db2.gz XVPZMCLWRBKPHX-UHFFFAOYSA-N 2 2 391.968 3.843 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C2CC2)cc1 ZINC000578244822 903648458 /nfs/dbraw/zinc/64/84/58/903648458.db2.gz NNCFAZLGTWNOPF-HXUWFJFHSA-N 2 2 380.536 3.524 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C2CC2)cc1 ZINC000578244822 903648463 /nfs/dbraw/zinc/64/84/63/903648463.db2.gz NNCFAZLGTWNOPF-HXUWFJFHSA-N 2 2 380.536 3.524 20 0 GHADLP CC(C)[C@@H](CCc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000578651182 904026863 /nfs/dbraw/zinc/02/68/63/904026863.db2.gz HDJBMXQNZSIWHI-HSZRJFAPSA-N 2 2 399.623 3.958 20 0 GHADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000578747377 904095913 /nfs/dbraw/zinc/09/59/13/904095913.db2.gz WQSJEXMPRKUKRQ-QGZVFWFLSA-N 2 2 394.519 3.614 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C[C@H]21 ZINC001171618006 904885014 /nfs/dbraw/zinc/88/50/14/904885014.db2.gz UFCPFIAHGJSXSD-MKXGPGLRSA-N 2 2 379.589 3.827 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C[C@H]21 ZINC001171618006 904885025 /nfs/dbraw/zinc/88/50/25/904885025.db2.gz UFCPFIAHGJSXSD-MKXGPGLRSA-N 2 2 379.589 3.827 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C[C@H]21 ZINC001171618006 904885036 /nfs/dbraw/zinc/88/50/36/904885036.db2.gz UFCPFIAHGJSXSD-MKXGPGLRSA-N 2 2 379.589 3.827 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C[C@H]21 ZINC001171618006 904885049 /nfs/dbraw/zinc/88/50/49/904885049.db2.gz UFCPFIAHGJSXSD-MKXGPGLRSA-N 2 2 379.589 3.827 20 0 GHADLP Cc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001171655289 904899817 /nfs/dbraw/zinc/89/98/17/904899817.db2.gz HMKATZZPGNOVJR-OAQYLSRUSA-N 2 2 382.548 3.817 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171907786 905139563 /nfs/dbraw/zinc/13/95/63/905139563.db2.gz ZMLQGWLRLIXPNJ-SFTDATJTSA-N 2 2 379.504 3.538 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171907786 905139568 /nfs/dbraw/zinc/13/95/68/905139568.db2.gz ZMLQGWLRLIXPNJ-SFTDATJTSA-N 2 2 379.504 3.538 20 0 GHADLP CCOc1ccc([C@@H](CO)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171963893 905171641 /nfs/dbraw/zinc/17/16/41/905171641.db2.gz FSLCFFLIVHZESN-LEWJYISDSA-N 2 2 383.536 3.547 20 0 GHADLP CCOc1ccc([C@@H](CO)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171963893 905171645 /nfs/dbraw/zinc/17/16/45/905171645.db2.gz FSLCFFLIVHZESN-LEWJYISDSA-N 2 2 383.536 3.547 20 0 GHADLP COc1cc(N(C2CC[NH2+]CC2)C2CCC(C(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC001171933910 905188023 /nfs/dbraw/zinc/18/80/23/905188023.db2.gz NGNWMASXLAMZGY-UHFFFAOYSA-N 2 2 389.540 3.549 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCn2cc[nH+]c2)CC12CCCCC2 ZINC001172051862 905271044 /nfs/dbraw/zinc/27/10/44/905271044.db2.gz VWUHWAHMQBAZPO-SFHVURJKSA-N 2 2 376.545 3.965 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]Cc2cc(OC4COC4)ccn2)C3)cc1 ZINC001172064629 905328781 /nfs/dbraw/zinc/32/87/81/905328781.db2.gz IJSDRYSXKPYSQZ-QQFNCUIESA-N 2 2 393.531 3.535 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]Cc2cc(OC4COC4)ccn2)C3)cc1 ZINC001172064629 905328797 /nfs/dbraw/zinc/32/87/97/905328797.db2.gz IJSDRYSXKPYSQZ-QQFNCUIESA-N 2 2 393.531 3.535 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC1)C2 ZINC001172123571 905383103 /nfs/dbraw/zinc/38/31/03/905383103.db2.gz DZUSZYLZTWQKQS-BWTSREIZSA-N 2 2 397.485 3.718 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC1)C2 ZINC001172123571 905383120 /nfs/dbraw/zinc/38/31/20/905383120.db2.gz DZUSZYLZTWQKQS-BWTSREIZSA-N 2 2 397.485 3.718 20 0 GHADLP CC[NH+](CC)C1CCC([NH2+][C@@H](CSCc2ccccc2)C(=O)OC)CC1 ZINC001173102618 906188739 /nfs/dbraw/zinc/18/87/39/906188739.db2.gz AUGXREPFCSEAJP-MHJFOBGBSA-N 2 2 378.582 3.704 20 0 GHADLP CC[NH+](CC)C1CCC([N@@H+]2CCn3c(COc4cccnc4)cnc3[C@@H]2C)CC1 ZINC001173112105 906201665 /nfs/dbraw/zinc/20/16/65/906201665.db2.gz QKDCDBAZMTWUFG-HDYDNRTBSA-N 2 2 397.567 3.887 20 0 GHADLP CC[NH+](CC)C1CCC([N@H+]2CCn3c(COc4cccnc4)cnc3[C@@H]2C)CC1 ZINC001173112105 906201683 /nfs/dbraw/zinc/20/16/83/906201683.db2.gz QKDCDBAZMTWUFG-HDYDNRTBSA-N 2 2 397.567 3.887 20 0 GHADLP c1c(C[NH+]2CCCC2)nc2n1CC[N@@H+](C1CCC(Oc3ccccc3)CC1)C2 ZINC001173201591 906285180 /nfs/dbraw/zinc/28/51/80/906285180.db2.gz GRZYDPNXTWZEQG-UHFFFAOYSA-N 2 2 380.536 3.685 20 0 GHADLP c1c(C[NH+]2CCCC2)nc2n1CC[N@H+](C1CCC(Oc3ccccc3)CC1)C2 ZINC001173201591 906285199 /nfs/dbraw/zinc/28/51/99/906285199.db2.gz GRZYDPNXTWZEQG-UHFFFAOYSA-N 2 2 380.536 3.685 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001173663885 906602059 /nfs/dbraw/zinc/60/20/59/906602059.db2.gz JCWKWQXBNPFAEG-RXVVDRJESA-N 2 2 376.516 3.844 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001173663885 906602086 /nfs/dbraw/zinc/60/20/86/906602086.db2.gz JCWKWQXBNPFAEG-RXVVDRJESA-N 2 2 376.516 3.844 20 0 GHADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000365935487 921256036 /nfs/dbraw/zinc/25/60/36/921256036.db2.gz XBBSYPWDYWMUBL-UHFFFAOYSA-N 2 2 381.524 3.850 20 0 GHADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000365935487 921256046 /nfs/dbraw/zinc/25/60/46/921256046.db2.gz XBBSYPWDYWMUBL-UHFFFAOYSA-N 2 2 381.524 3.850 20 0 GHADLP COCC[N@H+](C1CCC(c2ccc(OC(C)=O)cc2)CC1)C1CC[NH+](C)CC1 ZINC001173790524 906713360 /nfs/dbraw/zinc/71/33/60/906713360.db2.gz IZHSYBWZPNLSKJ-UHFFFAOYSA-N 2 2 388.552 3.681 20 0 GHADLP COCC[N@@H+](C1CCC(c2ccc(OC(C)=O)cc2)CC1)C1CC[NH+](C)CC1 ZINC001173790524 906713372 /nfs/dbraw/zinc/71/33/72/906713372.db2.gz IZHSYBWZPNLSKJ-UHFFFAOYSA-N 2 2 388.552 3.681 20 0 GHADLP OC1CC[NH+](CCC[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000180212463 906715691 /nfs/dbraw/zinc/71/56/91/906715691.db2.gz HTJUHTMYTUTHMQ-NRFANRHFSA-N 2 2 390.474 3.814 20 0 GHADLP [NH3+]C[C@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@@H]1C(F)(F)F ZINC000629657567 906935249 /nfs/dbraw/zinc/93/52/49/906935249.db2.gz ZTVFVOLNHDCNMF-ZFWWWQNUSA-N 2 2 375.866 3.899 20 0 GHADLP [NH3+]C[C@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@@H]1C(F)(F)F ZINC000629657567 906935254 /nfs/dbraw/zinc/93/52/54/906935254.db2.gz ZTVFVOLNHDCNMF-ZFWWWQNUSA-N 2 2 375.866 3.899 20 0 GHADLP [NH3+]C[C@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@H]1C(F)(F)F ZINC000629657564 906935649 /nfs/dbraw/zinc/93/56/49/906935649.db2.gz ZTVFVOLNHDCNMF-DZGCQCFKSA-N 2 2 375.866 3.899 20 0 GHADLP [NH3+]C[C@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@H]1C(F)(F)F ZINC000629657564 906935662 /nfs/dbraw/zinc/93/56/62/906935662.db2.gz ZTVFVOLNHDCNMF-DZGCQCFKSA-N 2 2 375.866 3.899 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CCN(c2[nH+]cccc2Nc2ccc3[nH+]ccn3c2)C1 ZINC001174278077 906969866 /nfs/dbraw/zinc/96/98/66/906969866.db2.gz GDYNWWKKDKBDDL-MRXNPFEDSA-N 2 2 394.479 3.576 20 0 GHADLP CC(C)n1c[nH+]c2cc(Nc3ccc(N4CC[NH+](C)CC4)c(CO)c3)ccc21 ZINC001174381001 907012082 /nfs/dbraw/zinc/01/20/82/907012082.db2.gz DXUJGHFEEDMWKA-UHFFFAOYSA-N 2 2 379.508 3.605 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000181774296 907077433 /nfs/dbraw/zinc/07/74/33/907077433.db2.gz KCYGMQOAEFRWPC-CABCVRRESA-N 2 2 397.357 3.609 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000366047069 921294582 /nfs/dbraw/zinc/29/45/82/921294582.db2.gz TYHWLZQFWHIBRY-LGVFNWMJSA-N 2 2 378.564 3.798 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000366047069 921294585 /nfs/dbraw/zinc/29/45/85/921294585.db2.gz TYHWLZQFWHIBRY-LGVFNWMJSA-N 2 2 378.564 3.798 20 0 GHADLP CN(C(=O)Nc1ccc2[nH]ccc2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183074834 907321715 /nfs/dbraw/zinc/32/17/15/907321715.db2.gz KNRDQLAECYLKBZ-YADHBBJMSA-N 2 2 397.567 3.969 20 0 GHADLP CN(C(=O)Nc1ccc2[nH]ccc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183074834 907321730 /nfs/dbraw/zinc/32/17/30/907321730.db2.gz KNRDQLAECYLKBZ-YADHBBJMSA-N 2 2 397.567 3.969 20 0 GHADLP CCC1([NH+](C)C)CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000631496767 907733354 /nfs/dbraw/zinc/73/33/54/907733354.db2.gz FRTILIIEDMTGDB-MRXNPFEDSA-N 2 2 393.601 3.713 20 0 GHADLP CCC1([NH+](C)C)CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000631496767 907733360 /nfs/dbraw/zinc/73/33/60/907733360.db2.gz FRTILIIEDMTGDB-MRXNPFEDSA-N 2 2 393.601 3.713 20 0 GHADLP CC[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc(OC)c1OC ZINC000631574935 907763726 /nfs/dbraw/zinc/76/37/26/907763726.db2.gz HCPIMGSAPPGSLD-FCHUYYIVSA-N 2 2 397.563 3.733 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)cc1 ZINC000631632500 907782855 /nfs/dbraw/zinc/78/28/55/907782855.db2.gz PTZMFFYSEXCHDQ-VABKMULXSA-N 2 2 397.563 3.547 20 0 GHADLP CCCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCc2ccccc21 ZINC000299479595 921362418 /nfs/dbraw/zinc/36/24/18/921362418.db2.gz BJXRZUULDOXTFM-QHCPKHFHSA-N 2 2 398.595 3.654 20 0 GHADLP C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000186469728 907929923 /nfs/dbraw/zinc/92/99/23/907929923.db2.gz GUHFIDXPHSFKOM-NVXWUHKLSA-N 2 2 387.959 3.878 20 0 GHADLP C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000186469728 907929932 /nfs/dbraw/zinc/92/99/32/907929932.db2.gz GUHFIDXPHSFKOM-NVXWUHKLSA-N 2 2 387.959 3.878 20 0 GHADLP Cn1c[nH+]cc1C1CC[NH+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001176976673 908344967 /nfs/dbraw/zinc/34/49/67/908344967.db2.gz DTDRDDMJOKYDLK-QGZVFWFLSA-N 2 2 376.545 3.637 20 0 GHADLP CCS(=O)(=O)CCCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000190654657 908513734 /nfs/dbraw/zinc/51/37/34/908513734.db2.gz KGGZDYVYAHXUOG-CTNGQTDRSA-N 2 2 380.598 3.576 20 0 GHADLP CCS(=O)(=O)CCCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000190654657 908513745 /nfs/dbraw/zinc/51/37/45/908513745.db2.gz KGGZDYVYAHXUOG-CTNGQTDRSA-N 2 2 380.598 3.576 20 0 GHADLP CCS(=O)(=O)CCCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000190654657 908513746 /nfs/dbraw/zinc/51/37/46/908513746.db2.gz KGGZDYVYAHXUOG-CTNGQTDRSA-N 2 2 380.598 3.576 20 0 GHADLP CCS(=O)(=O)CCCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000190654657 908513758 /nfs/dbraw/zinc/51/37/58/908513758.db2.gz KGGZDYVYAHXUOG-CTNGQTDRSA-N 2 2 380.598 3.576 20 0 GHADLP C[C@@H](C[NH2+]Cc1cccc(F)c1I)C[NH+]1CCCCC1 ZINC001177416526 908568664 /nfs/dbraw/zinc/56/86/64/908568664.db2.gz RHNOOLLRUWLRED-ZDUSSCGKSA-N 2 2 390.284 3.642 20 0 GHADLP C[C@@H](CC[NH2+]Cc1ccc(F)cc1I)[NH+]1CCCCC1 ZINC001178462716 909064419 /nfs/dbraw/zinc/06/44/19/909064419.db2.gz HKBSZDXSDOTYHA-ZDUSSCGKSA-N 2 2 390.284 3.784 20 0 GHADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635421595 909240469 /nfs/dbraw/zinc/24/04/69/909240469.db2.gz OCABIHSQSDSDKB-HUUCEWRRSA-N 2 2 395.334 3.801 20 0 GHADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635421595 909240489 /nfs/dbraw/zinc/24/04/89/909240489.db2.gz OCABIHSQSDSDKB-HUUCEWRRSA-N 2 2 395.334 3.801 20 0 GHADLP Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cs2)cc1 ZINC000266760663 909292111 /nfs/dbraw/zinc/29/21/11/909292111.db2.gz QCIJUQQKFQHADG-UHFFFAOYSA-N 2 2 395.532 3.735 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)c2c1OC(F)(F)O2 ZINC001178998946 909350113 /nfs/dbraw/zinc/35/01/13/909350113.db2.gz UPRYNUJTSGBTAB-APWZRJJASA-N 2 2 378.394 3.797 20 0 GHADLP Brc1cccc(-c2noc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000267459027 909510703 /nfs/dbraw/zinc/51/07/03/909510703.db2.gz UONZCHXQEQTSFK-CYBMUJFWSA-N 2 2 388.269 3.602 20 0 GHADLP Brc1cccc(-c2noc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000267459027 909510719 /nfs/dbraw/zinc/51/07/19/909510719.db2.gz UONZCHXQEQTSFK-CYBMUJFWSA-N 2 2 388.269 3.602 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(C)c1Br ZINC001179914191 909832559 /nfs/dbraw/zinc/83/25/59/909832559.db2.gz SSQULQDWFUTWAO-VQIMIIECSA-N 2 2 394.401 3.524 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(C)c1Br ZINC001179914191 909832571 /nfs/dbraw/zinc/83/25/71/909832571.db2.gz SSQULQDWFUTWAO-VQIMIIECSA-N 2 2 394.401 3.524 20 0 GHADLP COc1ccc([C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)c2ccc(F)cc2)cc1 ZINC000638426682 910149834 /nfs/dbraw/zinc/14/98/34/910149834.db2.gz VPKIGCHKCVIFSZ-QFIPXVFZSA-N 2 2 386.511 3.749 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000270234535 910489774 /nfs/dbraw/zinc/48/97/74/910489774.db2.gz IVBBGZZNZBRTEW-LJQANCHMSA-N 2 2 391.519 3.694 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C)c3ncc(-c4ccccc4)o3)CC2)CC1 ZINC000270854051 910717980 /nfs/dbraw/zinc/71/79/80/910717980.db2.gz HEPCSGNHAWJKAW-LJQANCHMSA-N 2 2 382.552 3.893 20 0 GHADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000271569045 910964516 /nfs/dbraw/zinc/96/45/16/910964516.db2.gz VJUYVXOKSNYQEE-GGAORHGYSA-N 2 2 390.535 3.608 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC001181818758 911021038 /nfs/dbraw/zinc/02/10/38/911021038.db2.gz PJZUJEMZNMGDKG-ZVVDCOBXSA-N 2 2 383.580 3.985 20 0 GHADLP Cc1sccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000640466063 911035015 /nfs/dbraw/zinc/03/50/15/911035015.db2.gz VMLLHVRZVQDKPJ-OALUTQOASA-N 2 2 378.586 3.857 20 0 GHADLP Cc1sccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000640466063 911035032 /nfs/dbraw/zinc/03/50/32/911035032.db2.gz VMLLHVRZVQDKPJ-OALUTQOASA-N 2 2 378.586 3.857 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1Cl ZINC001182220389 911312526 /nfs/dbraw/zinc/31/25/26/911312526.db2.gz AZHQMZAXRCOBMT-DBVUQKKJSA-N 2 2 379.976 3.958 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@@H]1C)c1ccccc1Cl ZINC001182220389 911312547 /nfs/dbraw/zinc/31/25/47/911312547.db2.gz AZHQMZAXRCOBMT-DBVUQKKJSA-N 2 2 379.976 3.958 20 0 GHADLP Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000641902914 911584949 /nfs/dbraw/zinc/58/49/49/911584949.db2.gz NSEPGBSHKYDKFZ-QHCPKHFHSA-N 2 2 393.531 3.603 20 0 GHADLP Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000641902914 911584955 /nfs/dbraw/zinc/58/49/55/911584955.db2.gz NSEPGBSHKYDKFZ-QHCPKHFHSA-N 2 2 393.531 3.603 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774435557 911743871 /nfs/dbraw/zinc/74/38/71/911743871.db2.gz LFKDYJNOTUSJEZ-VBKZILBWSA-N 2 2 394.346 3.863 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774435557 911743880 /nfs/dbraw/zinc/74/38/80/911743880.db2.gz LFKDYJNOTUSJEZ-VBKZILBWSA-N 2 2 394.346 3.863 20 0 GHADLP C[C@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000284334222 911831544 /nfs/dbraw/zinc/83/15/44/911831544.db2.gz KYZXDYQHTRHRHB-INIZCTEOSA-N 2 2 385.531 3.516 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001182864680 912088661 /nfs/dbraw/zinc/08/86/61/912088661.db2.gz KJZUSDJBPBIHHI-MSOLQXFVSA-N 2 2 385.552 3.694 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001182864680 912088676 /nfs/dbraw/zinc/08/86/76/912088676.db2.gz KJZUSDJBPBIHHI-MSOLQXFVSA-N 2 2 385.552 3.694 20 0 GHADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000291230815 915051895 /nfs/dbraw/zinc/05/18/95/915051895.db2.gz DBHKHEBJMNSACH-DYESRHJHSA-N 2 2 393.535 3.977 20 0 GHADLP C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@@H+]1C ZINC000291509061 915221147 /nfs/dbraw/zinc/22/11/47/915221147.db2.gz OLJNSFDEUMOVHX-QFBILLFUSA-N 2 2 381.524 3.833 20 0 GHADLP C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@H+]1C ZINC000291509061 915221162 /nfs/dbraw/zinc/22/11/62/915221162.db2.gz OLJNSFDEUMOVHX-QFBILLFUSA-N 2 2 381.524 3.833 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899583 915430922 /nfs/dbraw/zinc/43/09/22/915430922.db2.gz PSOSSVIORHQRAU-UEVCKROQSA-N 2 2 391.559 3.745 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899583 915430929 /nfs/dbraw/zinc/43/09/29/915430929.db2.gz PSOSSVIORHQRAU-UEVCKROQSA-N 2 2 391.559 3.745 20 0 GHADLP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Cl)c1Cl ZINC001275652186 915654947 /nfs/dbraw/zinc/65/49/47/915654947.db2.gz ABRNIZCWFOKUSS-IBGZPJMESA-N 2 2 384.351 3.512 20 0 GHADLP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Cl)c1Cl ZINC001275652186 915654951 /nfs/dbraw/zinc/65/49/51/915654951.db2.gz ABRNIZCWFOKUSS-IBGZPJMESA-N 2 2 384.351 3.512 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000648739062 915849889 /nfs/dbraw/zinc/84/98/89/915849889.db2.gz WDALTDSRJOLWDM-OKZBNKHCSA-N 2 2 384.524 3.645 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000648739062 915849902 /nfs/dbraw/zinc/84/99/02/915849902.db2.gz WDALTDSRJOLWDM-OKZBNKHCSA-N 2 2 384.524 3.645 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000648746260 915855479 /nfs/dbraw/zinc/85/54/79/915855479.db2.gz RCFJWJRFBAWBLS-HUUCEWRRSA-N 2 2 375.542 3.724 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000648746260 915855496 /nfs/dbraw/zinc/85/54/96/915855496.db2.gz RCFJWJRFBAWBLS-HUUCEWRRSA-N 2 2 375.542 3.724 20 0 GHADLP C[NH+](C)Cc1cc(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)ccc1F ZINC000293720942 916345471 /nfs/dbraw/zinc/34/54/71/916345471.db2.gz YMHYMOOLRLENNK-UHFFFAOYSA-N 2 2 391.918 3.667 20 0 GHADLP O=C(NCCCCn1cc[nH+]c1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650418066 916971240 /nfs/dbraw/zinc/97/12/40/916971240.db2.gz QXZBLZNHRUOTGJ-UHFFFAOYSA-N 2 2 387.553 3.673 20 0 GHADLP COc1ccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)cc1C[NH+]1CCCCC1 ZINC000775362692 917168223 /nfs/dbraw/zinc/16/82/23/917168223.db2.gz GPXLZJHPGHJCOX-VGOFRKELSA-N 2 2 381.520 3.558 20 0 GHADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(OC(F)F)c(Br)c1)C2 ZINC000650709299 917245337 /nfs/dbraw/zinc/24/53/37/917245337.db2.gz PWOLYAQMYCHQFK-LRDDRELGSA-N 2 2 375.257 3.611 20 0 GHADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(OC(F)F)c(Br)c1)C2 ZINC000650709299 917245350 /nfs/dbraw/zinc/24/53/50/917245350.db2.gz PWOLYAQMYCHQFK-LRDDRELGSA-N 2 2 375.257 3.611 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297352243 919263034 /nfs/dbraw/zinc/26/30/34/919263034.db2.gz FHDHUZBUYZTPEK-MRXNPFEDSA-N 2 2 386.459 3.563 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc12 ZINC000800403879 920035357 /nfs/dbraw/zinc/03/53/57/920035357.db2.gz CNKGWSRNIHZHNJ-OAHLLOKOSA-N 2 2 398.942 3.843 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc12 ZINC000800403879 920035373 /nfs/dbraw/zinc/03/53/73/920035373.db2.gz CNKGWSRNIHZHNJ-OAHLLOKOSA-N 2 2 398.942 3.843 20 0 GHADLP CCO[C@@H](C)c1noc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000370651060 924231834 /nfs/dbraw/zinc/23/18/34/924231834.db2.gz ORWXTTLWTAUVQF-SFHVURJKSA-N 2 2 384.524 3.655 20 0 GHADLP CCO[C@@H](C)c1noc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000370651060 924231845 /nfs/dbraw/zinc/23/18/45/924231845.db2.gz ORWXTTLWTAUVQF-SFHVURJKSA-N 2 2 384.524 3.655 20 0 GHADLP C[C@H]1C[C@@H](CCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000677113221 924242867 /nfs/dbraw/zinc/24/28/67/924242867.db2.gz BVINEUUXBNLZTM-AZUAARDMSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@H]1C[C@@H](CCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000677113221 924242874 /nfs/dbraw/zinc/24/28/74/924242874.db2.gz BVINEUUXBNLZTM-AZUAARDMSA-N 2 2 395.551 3.599 20 0 GHADLP CN(C(=O)c1cc2occc2s1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677289425 924314531 /nfs/dbraw/zinc/31/45/31/924314531.db2.gz AKXUKDIEAVCWNH-DLBZAZTESA-N 2 2 389.565 3.904 20 0 GHADLP CN(C(=O)c1cc2occc2s1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677289425 924314541 /nfs/dbraw/zinc/31/45/41/924314541.db2.gz AKXUKDIEAVCWNH-DLBZAZTESA-N 2 2 389.565 3.904 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cn2cccc(F)c2n1 ZINC000677323190 924326731 /nfs/dbraw/zinc/32/67/31/924326731.db2.gz ZVSCTZBSOFPJIL-UHFFFAOYSA-N 2 2 378.451 3.988 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cn2cccc(F)c2n1 ZINC000677323190 924326738 /nfs/dbraw/zinc/32/67/38/924326738.db2.gz ZVSCTZBSOFPJIL-UHFFFAOYSA-N 2 2 378.451 3.988 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1nnc2n1CCCCC2 ZINC000371664389 924758536 /nfs/dbraw/zinc/75/85/36/924758536.db2.gz HVAMNKFUKYVPNT-OYNPSCLESA-N 2 2 379.552 3.566 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1nnc2n1CCCCC2 ZINC000371664389 924758545 /nfs/dbraw/zinc/75/85/45/924758545.db2.gz HVAMNKFUKYVPNT-OYNPSCLESA-N 2 2 379.552 3.566 20 0 GHADLP Fc1ccc2[nH]cc(C[N@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)c2c1 ZINC001137338206 924797031 /nfs/dbraw/zinc/79/70/31/924797031.db2.gz BQVWBVHULRWPMS-UHFFFAOYSA-N 2 2 381.499 3.548 20 0 GHADLP Fc1ccc2[nH]cc(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)c2c1 ZINC001137338206 924797035 /nfs/dbraw/zinc/79/70/35/924797035.db2.gz BQVWBVHULRWPMS-UHFFFAOYSA-N 2 2 381.499 3.548 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2c[nH]c4ccc(F)cc24)CC3)n1 ZINC001137338711 924804849 /nfs/dbraw/zinc/80/48/49/924804849.db2.gz UARIHAKBSXDQAR-UHFFFAOYSA-N 2 2 381.499 3.671 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2c[nH]c4ccc(F)cc24)CC3)n1 ZINC001137338711 924804858 /nfs/dbraw/zinc/80/48/58/924804858.db2.gz UARIHAKBSXDQAR-UHFFFAOYSA-N 2 2 381.499 3.671 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000678794272 924925338 /nfs/dbraw/zinc/92/53/38/924925338.db2.gz FTEJZTBFANXNMY-YADARESESA-N 2 2 375.516 3.892 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000678794272 924925345 /nfs/dbraw/zinc/92/53/45/924925345.db2.gz FTEJZTBFANXNMY-YADARESESA-N 2 2 375.516 3.892 20 0 GHADLP O=C1[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000679217189 925069735 /nfs/dbraw/zinc/06/97/35/925069735.db2.gz UPWNUJYRIFCULN-QGZVFWFLSA-N 2 2 379.291 3.701 20 0 GHADLP C[C@@](CO)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(C(F)(F)F)c1 ZINC000680121117 925371428 /nfs/dbraw/zinc/37/14/28/925371428.db2.gz RJDILLSGBCWSBU-KRWDZBQOSA-N 2 2 381.423 3.950 20 0 GHADLP CC(C)C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000681209765 925761403 /nfs/dbraw/zinc/76/14/03/925761403.db2.gz BLNYWUHAZOXPBS-MOPGFXCFSA-N 2 2 392.613 3.645 20 0 GHADLP CC(C)C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000681209765 925761406 /nfs/dbraw/zinc/76/14/06/925761406.db2.gz BLNYWUHAZOXPBS-MOPGFXCFSA-N 2 2 392.613 3.645 20 0 GHADLP C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218164 925764451 /nfs/dbraw/zinc/76/44/51/925764451.db2.gz DRLMQHWVHPIUIL-AAIMPIBUSA-N 2 2 398.595 3.510 20 0 GHADLP C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218164 925764457 /nfs/dbraw/zinc/76/44/57/925764457.db2.gz DRLMQHWVHPIUIL-AAIMPIBUSA-N 2 2 398.595 3.510 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001137453701 925843566 /nfs/dbraw/zinc/84/35/66/925843566.db2.gz AJYASFDHZJDCFY-DEOSSOPVSA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001137453701 925843572 /nfs/dbraw/zinc/84/35/72/925843572.db2.gz AJYASFDHZJDCFY-DEOSSOPVSA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001137453701 925843580 /nfs/dbraw/zinc/84/35/80/925843580.db2.gz AJYASFDHZJDCFY-DEOSSOPVSA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001137453701 925843593 /nfs/dbraw/zinc/84/35/93/925843593.db2.gz AJYASFDHZJDCFY-DEOSSOPVSA-N 2 2 394.515 3.580 20 0 GHADLP C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000749590327 927204830 /nfs/dbraw/zinc/20/48/30/927204830.db2.gz PHIDDYGORJNEGW-WMQCIHAUSA-N 2 2 387.568 3.585 20 0 GHADLP C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000749590327 927204843 /nfs/dbraw/zinc/20/48/43/927204843.db2.gz PHIDDYGORJNEGW-WMQCIHAUSA-N 2 2 387.568 3.585 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1=S ZINC000749800194 927280105 /nfs/dbraw/zinc/28/01/05/927280105.db2.gz QMQACUUADUXSPT-KSZLIROESA-N 2 2 395.617 3.543 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1=S ZINC000749800194 927280113 /nfs/dbraw/zinc/28/01/13/927280113.db2.gz QMQACUUADUXSPT-KSZLIROESA-N 2 2 395.617 3.543 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000374723214 927449037 /nfs/dbraw/zinc/44/90/37/927449037.db2.gz NYKWTKUNMSUNCV-GOSISDBHSA-N 2 2 390.535 3.594 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000374797286 927532963 /nfs/dbraw/zinc/53/29/63/927532963.db2.gz GVFDWOXSNIDSPB-BCDXTJNWSA-N 2 2 378.442 3.731 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000374797286 927532969 /nfs/dbraw/zinc/53/29/69/927532969.db2.gz GVFDWOXSNIDSPB-BCDXTJNWSA-N 2 2 378.442 3.731 20 0 GHADLP C[C@H](CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)[NH+]1CCCCC1 ZINC000467643432 929266610 /nfs/dbraw/zinc/26/66/10/929266610.db2.gz JJMFYGUJQBRGHE-UIFIKXQLSA-N 2 2 379.976 3.566 20 0 GHADLP C[C@H](CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCCC1 ZINC000467643432 929266617 /nfs/dbraw/zinc/26/66/17/929266617.db2.gz JJMFYGUJQBRGHE-UIFIKXQLSA-N 2 2 379.976 3.566 20 0 GHADLP C[C@@H](C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000469397744 929848011 /nfs/dbraw/zinc/84/80/11/929848011.db2.gz OMCWWPJUMWWIAK-ZRCGQRJVSA-N 2 2 394.563 3.636 20 0 GHADLP CN(C(=O)c1cc(Cl)cs1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000759082434 930267279 /nfs/dbraw/zinc/26/72/79/930267279.db2.gz DHXHACDGGPLJLU-DLBZAZTESA-N 2 2 383.989 3.811 20 0 GHADLP CN(C(=O)c1cc(Cl)cs1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000759082434 930267283 /nfs/dbraw/zinc/26/72/83/930267283.db2.gz DHXHACDGGPLJLU-DLBZAZTESA-N 2 2 383.989 3.811 20 0 GHADLP C/C(=C\c1cccc(Cl)c1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000759183143 930301495 /nfs/dbraw/zinc/30/14/95/930301495.db2.gz KGXSZVMBIWNSIG-OBGWFSINSA-N 2 2 389.971 3.810 20 0 GHADLP C[C@H]1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000759576308 930410050 /nfs/dbraw/zinc/41/00/50/930410050.db2.gz SJSHJQRJZCSAND-GHTZIAJQSA-N 2 2 387.572 3.520 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCc2c(ncn2CCc2ccccc2)C1 ZINC000546963628 930568936 /nfs/dbraw/zinc/56/89/36/930568936.db2.gz YSHIEHXCORPIGX-UHFFFAOYSA-N 2 2 398.514 3.573 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCc2c(ncn2CCc2ccccc2)C1 ZINC000546963628 930568938 /nfs/dbraw/zinc/56/89/38/930568938.db2.gz YSHIEHXCORPIGX-UHFFFAOYSA-N 2 2 398.514 3.573 20 0 GHADLP C[NH+](C)[C@]1(C[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)c3ccccc32)CCSC1 ZINC000780725031 930585880 /nfs/dbraw/zinc/58/58/80/930585880.db2.gz OJSGIBWKULTFFA-WFXMLNOXSA-N 2 2 391.581 3.724 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470807380 930928807 /nfs/dbraw/zinc/92/88/07/930928807.db2.gz CFEHDOYQPDIOCP-ICSRJNTNSA-N 2 2 399.539 3.682 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470807380 930928815 /nfs/dbraw/zinc/92/88/15/930928815.db2.gz CFEHDOYQPDIOCP-ICSRJNTNSA-N 2 2 399.539 3.682 20 0 GHADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cs1 ZINC000547399753 930981999 /nfs/dbraw/zinc/98/19/99/930981999.db2.gz SOILZQHIQODGPR-NVXWUHKLSA-N 2 2 378.611 3.967 20 0 GHADLP O=C1[C@@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCCN1Cc1ccccc1 ZINC000783029924 931390987 /nfs/dbraw/zinc/39/09/87/931390987.db2.gz JAWDNRCUBXTRGW-QFIPXVFZSA-N 2 2 380.536 3.567 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(C[C@H]([NH2+]CCn2cc[nH+]c2)c2cccnc2)CC1 ZINC000924551786 931418159 /nfs/dbraw/zinc/41/81/59/931418159.db2.gz JPDTZYTYEMCLPV-FQEVSTJZSA-N 2 2 399.539 3.646 20 0 GHADLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cc(-c2ccccc2)no1 ZINC000924926645 931587244 /nfs/dbraw/zinc/58/72/44/931587244.db2.gz DUMGZHDLDGVJMB-AUSIDOKSSA-N 2 2 390.531 3.981 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c2ncnn21 ZINC000924942011 931591259 /nfs/dbraw/zinc/59/12/59/931591259.db2.gz SIEUSKGNAMPWLV-VGOFRKELSA-N 2 2 384.487 3.986 20 0 GHADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000783977599 931737208 /nfs/dbraw/zinc/73/72/08/931737208.db2.gz VANPTQILEKFLDL-QUCCMNQESA-N 2 2 380.536 3.828 20 0 GHADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000783977599 931737213 /nfs/dbraw/zinc/73/72/13/931737213.db2.gz VANPTQILEKFLDL-QUCCMNQESA-N 2 2 380.536 3.828 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCN(OCc3ccccc3)CC2)CC1 ZINC000925589568 931832889 /nfs/dbraw/zinc/83/28/89/931832889.db2.gz AEASTLDYPHPNGU-FQEVSTJZSA-N 2 2 394.563 3.793 20 0 GHADLP Cc1ccc([C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2ccccn2)cc1 ZINC000926127266 932057806 /nfs/dbraw/zinc/05/78/06/932057806.db2.gz USADXWRVKDQXGY-NOZRDPDXSA-N 2 2 387.527 3.836 20 0 GHADLP Cc1ccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccccn2)cc1 ZINC000926127266 932057808 /nfs/dbraw/zinc/05/78/08/932057808.db2.gz USADXWRVKDQXGY-NOZRDPDXSA-N 2 2 387.527 3.836 20 0 GHADLP Cc1cccc([C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2ccccn2)c1 ZINC000926126618 932058009 /nfs/dbraw/zinc/05/80/09/932058009.db2.gz RGPASHPVNUSGFZ-NOZRDPDXSA-N 2 2 387.527 3.836 20 0 GHADLP Cc1cccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccccn2)c1 ZINC000926126618 932058012 /nfs/dbraw/zinc/05/80/12/932058012.db2.gz RGPASHPVNUSGFZ-NOZRDPDXSA-N 2 2 387.527 3.836 20 0 GHADLP C[C@H](C1CC1)N(C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000558738635 932203079 /nfs/dbraw/zinc/20/30/79/932203079.db2.gz USIDCSAHPCUVPO-GCJKJVERSA-N 2 2 383.580 3.666 20 0 GHADLP C[C@H](C1CC1)N(C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000558738635 932203082 /nfs/dbraw/zinc/20/30/82/932203082.db2.gz USIDCSAHPCUVPO-GCJKJVERSA-N 2 2 383.580 3.666 20 0 GHADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000559843334 932902122 /nfs/dbraw/zinc/90/21/22/932902122.db2.gz KHPICMGEXRFOET-WEYGHZABSA-N 2 2 386.561 3.966 20 0 GHADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000559843334 932902127 /nfs/dbraw/zinc/90/21/27/932902127.db2.gz KHPICMGEXRFOET-WEYGHZABSA-N 2 2 386.561 3.966 20 0 GHADLP C[N@@H+]1CCCC[C@@H]1CCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000559950282 932977431 /nfs/dbraw/zinc/97/74/31/932977431.db2.gz PHDHLZGLABQCBR-HXUWFJFHSA-N 2 2 399.608 3.889 20 0 GHADLP C[N@H+]1CCCC[C@@H]1CCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000559950282 932977437 /nfs/dbraw/zinc/97/74/37/932977437.db2.gz PHDHLZGLABQCBR-HXUWFJFHSA-N 2 2 399.608 3.889 20 0 GHADLP C[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1ccccc1 ZINC001115919052 933244239 /nfs/dbraw/zinc/24/42/39/933244239.db2.gz JSWJXPXCWJZJLC-OAQYLSRUSA-N 2 2 385.939 3.725 20 0 GHADLP C[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1ccccc1 ZINC001115919052 933244254 /nfs/dbraw/zinc/24/42/54/933244254.db2.gz JSWJXPXCWJZJLC-OAQYLSRUSA-N 2 2 385.939 3.725 20 0 GHADLP CC1([NH+]2CCC2)CCC(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000929320075 933348985 /nfs/dbraw/zinc/34/89/85/933348985.db2.gz SVLBZMNHVSQADH-UHFFFAOYSA-N 2 2 391.585 3.658 20 0 GHADLP Cc1oc(C(C)C)nc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000560598256 933372992 /nfs/dbraw/zinc/37/29/92/933372992.db2.gz SMMHIBCNUABTIS-RTBURBONSA-N 2 2 390.572 3.516 20 0 GHADLP Cc1oc(C(C)C)nc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000560598256 933373003 /nfs/dbraw/zinc/37/30/03/933373003.db2.gz SMMHIBCNUABTIS-RTBURBONSA-N 2 2 390.572 3.516 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC001116517375 933605893 /nfs/dbraw/zinc/60/58/93/933605893.db2.gz SFCSJLCKIPTNHH-KRWDZBQOSA-N 2 2 383.927 3.773 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC001116517375 933605896 /nfs/dbraw/zinc/60/58/96/933605896.db2.gz SFCSJLCKIPTNHH-KRWDZBQOSA-N 2 2 383.927 3.773 20 0 GHADLP CS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)C1 ZINC001117720015 933996164 /nfs/dbraw/zinc/99/61/64/933996164.db2.gz BUKANHRTMWJNCF-DLBZAZTESA-N 2 2 396.626 3.529 20 0 GHADLP CS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)C1 ZINC001117720015 933996168 /nfs/dbraw/zinc/99/61/68/933996168.db2.gz BUKANHRTMWJNCF-DLBZAZTESA-N 2 2 396.626 3.529 20 0 GHADLP CC(C)(C)OC(=O)N1CCC([N@H+](CCCn2cc[nH+]c2)Cc2ccccn2)CC1 ZINC000930807475 934254834 /nfs/dbraw/zinc/25/48/34/934254834.db2.gz ULVXCAJWJIYXBJ-UHFFFAOYSA-N 2 2 399.539 3.570 20 0 GHADLP CC(C)(C)OC(=O)N1CCC([N@@H+](CCCn2cc[nH+]c2)Cc2ccccn2)CC1 ZINC000930807475 934254841 /nfs/dbraw/zinc/25/48/41/934254841.db2.gz ULVXCAJWJIYXBJ-UHFFFAOYSA-N 2 2 399.539 3.570 20 0 GHADLP CC(=O)c1ccccc1OCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000562060150 934665685 /nfs/dbraw/zinc/66/56/85/934665685.db2.gz PCBNEXIGMYKRJX-FCHUYYIVSA-N 2 2 378.516 3.722 20 0 GHADLP CC(=O)c1ccccc1OCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000562060150 934665690 /nfs/dbraw/zinc/66/56/90/934665690.db2.gz PCBNEXIGMYKRJX-FCHUYYIVSA-N 2 2 378.516 3.722 20 0 GHADLP CC(=O)c1ccccc1OCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000562060150 934665695 /nfs/dbraw/zinc/66/56/95/934665695.db2.gz PCBNEXIGMYKRJX-FCHUYYIVSA-N 2 2 378.516 3.722 20 0 GHADLP CC(=O)c1ccccc1OCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000562060150 934665702 /nfs/dbraw/zinc/66/57/02/934665702.db2.gz PCBNEXIGMYKRJX-FCHUYYIVSA-N 2 2 378.516 3.722 20 0 GHADLP Clc1cncc(Cl)c1C[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001137606596 935621330 /nfs/dbraw/zinc/62/13/30/935621330.db2.gz FRCXUWHHTPWWOR-UHFFFAOYSA-N 2 2 393.318 3.655 20 0 GHADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001137611058 935626139 /nfs/dbraw/zinc/62/61/39/935626139.db2.gz NQAZZXYKVNGYIV-VIZSFHNOSA-N 2 2 397.538 3.578 20 0 GHADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001137611058 935626140 /nfs/dbraw/zinc/62/61/40/935626140.db2.gz NQAZZXYKVNGYIV-VIZSFHNOSA-N 2 2 397.538 3.578 20 0 GHADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)Cn1cc(Br)cn1)c1ccccc1 ZINC000468900491 1016190142 /nfs/dbraw/zinc/19/01/42/1016190142.db2.gz HMAIHPLULUKIHU-QAPCUYQASA-N 2 2 379.346 3.707 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1-n1cccn1 ZINC000560162480 1017563817 /nfs/dbraw/zinc/56/38/17/1017563817.db2.gz BSHHULSGPLWGTQ-IRLDBZIGSA-N 2 2 390.531 3.814 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1-n1cccn1 ZINC000560162480 1017563828 /nfs/dbraw/zinc/56/38/28/1017563828.db2.gz BSHHULSGPLWGTQ-IRLDBZIGSA-N 2 2 390.531 3.814 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC001204265865 1032709038 /nfs/dbraw/zinc/70/90/38/1032709038.db2.gz JYHWAYDHOXIERB-QHCPKHFHSA-N 2 2 396.531 3.725 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC001204265865 1032709057 /nfs/dbraw/zinc/70/90/57/1032709057.db2.gz JYHWAYDHOXIERB-QHCPKHFHSA-N 2 2 396.531 3.725 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CC[NH+](C)[C@H](c4ccccc4)C3)c2)CCO1 ZINC000564230735 1019035588 /nfs/dbraw/zinc/03/55/88/1019035588.db2.gz GZVJXLFCMUMQNI-ZPZUNKDASA-N 3 2 393.575 3.832 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[NH+](C)[C@H](c4ccccc4)C3)c2)CCO1 ZINC000564230735 1019035606 /nfs/dbraw/zinc/03/56/06/1019035606.db2.gz GZVJXLFCMUMQNI-ZPZUNKDASA-N 3 2 393.575 3.832 20 0 GHADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)c2)CCO1 ZINC000564230735 1019035621 /nfs/dbraw/zinc/03/56/21/1019035621.db2.gz GZVJXLFCMUMQNI-ZPZUNKDASA-N 3 2 393.575 3.832 20 0 GHADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)c2)CCO1 ZINC000564230735 1019035627 /nfs/dbraw/zinc/03/56/27/1019035627.db2.gz GZVJXLFCMUMQNI-ZPZUNKDASA-N 3 2 393.575 3.832 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000576152003 1019984832 /nfs/dbraw/zinc/98/48/32/1019984832.db2.gz WZEZQMLHOGAUSJ-GOSISDBHSA-N 2 2 394.437 3.856 20 0 GHADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000576575840 1020035867 /nfs/dbraw/zinc/03/58/67/1020035867.db2.gz CLCXOJAALPXJEB-OIBXWCBGSA-N 2 2 380.532 3.545 20 0 GHADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000576575840 1020035882 /nfs/dbraw/zinc/03/58/82/1020035882.db2.gz CLCXOJAALPXJEB-OIBXWCBGSA-N 2 2 380.532 3.545 20 0 GHADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635452584 1020983109 /nfs/dbraw/zinc/98/31/09/1020983109.db2.gz HNDOSUAIJHJEJU-FQEVSTJZSA-N 2 2 386.565 3.966 20 0 GHADLP Cc1ccc2[nH]nc(C[NH+]3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1 ZINC001140326806 1021406880 /nfs/dbraw/zinc/40/68/80/1021406880.db2.gz BUQOGJAQRSQEGS-UHFFFAOYSA-N 2 2 396.560 3.800 20 0 GHADLP Cc1ccc2[nH]nc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001140326806 1021406885 /nfs/dbraw/zinc/40/68/85/1021406885.db2.gz BUQOGJAQRSQEGS-UHFFFAOYSA-N 2 2 396.560 3.800 20 0 GHADLP Cc1ccc2n[nH]c(C[NH+]3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1 ZINC001140326806 1021406889 /nfs/dbraw/zinc/40/68/89/1021406889.db2.gz BUQOGJAQRSQEGS-UHFFFAOYSA-N 2 2 396.560 3.800 20 0 GHADLP Cc1ccc2n[nH]c(C[NH+]3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001140326806 1021406893 /nfs/dbraw/zinc/40/68/93/1021406893.db2.gz BUQOGJAQRSQEGS-UHFFFAOYSA-N 2 2 396.560 3.800 20 0 GHADLP Fc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001140538767 1021935382 /nfs/dbraw/zinc/93/53/82/1021935382.db2.gz VLPYGHBITVOSMS-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cc(Cl)cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001140538767 1021935386 /nfs/dbraw/zinc/93/53/86/1021935386.db2.gz VLPYGHBITVOSMS-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cc(Cl)cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001140538767 1021935391 /nfs/dbraw/zinc/93/53/91/1021935391.db2.gz VLPYGHBITVOSMS-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cc(Cl)cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001140538767 1021935397 /nfs/dbraw/zinc/93/53/97/1021935397.db2.gz VLPYGHBITVOSMS-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP CCC(C)(C)C1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000681212992 1022268630 /nfs/dbraw/zinc/26/86/30/1022268630.db2.gz KNURDBWUDMFGDY-GZNCHQMQSA-N 2 2 392.632 3.791 20 0 GHADLP CCC(C)(C)C1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000681212992 1022268636 /nfs/dbraw/zinc/26/86/36/1022268636.db2.gz KNURDBWUDMFGDY-GZNCHQMQSA-N 2 2 392.632 3.791 20 0 GHADLP Oc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c1 ZINC001140789199 1022533495 /nfs/dbraw/zinc/53/34/95/1022533495.db2.gz JPYIQBPCFWIJOR-UHFFFAOYSA-N 2 2 386.923 3.913 20 0 GHADLP Oc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001140789199 1022533504 /nfs/dbraw/zinc/53/35/04/1022533504.db2.gz JPYIQBPCFWIJOR-UHFFFAOYSA-N 2 2 386.923 3.913 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]21 ZINC001140803066 1022574009 /nfs/dbraw/zinc/57/40/09/1022574009.db2.gz KHXWKMDBPZFNCX-AMHTUMDSSA-N 3 2 375.520 3.690 20 0 GHADLP Cc1[nH+]cc(CN2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)n1C ZINC001204834523 1033114051 /nfs/dbraw/zinc/11/40/51/1033114051.db2.gz YRACFOPCXAGKPY-UHFFFAOYSA-N 2 2 384.524 3.914 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@H+](Cn3[nH]c(-c4cc(F)cc(F)c4)nc3=S)C2)CC1 ZINC000755780618 1023374686 /nfs/dbraw/zinc/37/46/86/1023374686.db2.gz OZUVIYRXSLELEN-AWEZNQCLSA-N 2 2 393.507 3.507 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3[nH]c(-c4cc(F)cc(F)c4)nc3=S)C2)CC1 ZINC000755780618 1023374699 /nfs/dbraw/zinc/37/46/99/1023374699.db2.gz OZUVIYRXSLELEN-AWEZNQCLSA-N 2 2 393.507 3.507 20 0 GHADLP C[C@@H](NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001138141303 1024218503 /nfs/dbraw/zinc/21/85/03/1024218503.db2.gz BYFDHJREWPPECG-WTGUMLROSA-N 2 2 384.568 3.822 20 0 GHADLP C[C@@H](NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001138141303 1024218518 /nfs/dbraw/zinc/21/85/18/1024218518.db2.gz BYFDHJREWPPECG-WTGUMLROSA-N 2 2 384.568 3.822 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(N4CCCCC4)o3)C2)C1 ZINC001138173595 1024298418 /nfs/dbraw/zinc/29/84/18/1024298418.db2.gz RMGJHIPHAJNULK-JOCHJYFZSA-N 2 2 375.557 3.593 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(N4CCCCC4)o3)C2)C1 ZINC001138173595 1024298430 /nfs/dbraw/zinc/29/84/30/1024298430.db2.gz RMGJHIPHAJNULK-JOCHJYFZSA-N 2 2 375.557 3.593 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(N4CCCCC4)o3)C2)C1 ZINC001138173595 1024298435 /nfs/dbraw/zinc/29/84/35/1024298435.db2.gz RMGJHIPHAJNULK-JOCHJYFZSA-N 2 2 375.557 3.593 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(N4CCCCC4)o3)C2)C1 ZINC001138173595 1024298447 /nfs/dbraw/zinc/29/84/47/1024298447.db2.gz RMGJHIPHAJNULK-JOCHJYFZSA-N 2 2 375.557 3.593 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3CC[C@@H](Nc4cccc[nH+]4)CC3)sc2C1 ZINC001138180942 1024318853 /nfs/dbraw/zinc/31/88/53/1024318853.db2.gz GTIXGBSXAXLUBL-IYBDPMFKSA-N 2 2 399.564 3.914 20 0 GHADLP CC(C)[N@H+]1CCc2nc(NC(=O)[C@H]3CC[C@@H](Nc4cccc[nH+]4)CC3)sc2C1 ZINC001138180942 1024318871 /nfs/dbraw/zinc/31/88/71/1024318871.db2.gz GTIXGBSXAXLUBL-IYBDPMFKSA-N 2 2 399.564 3.914 20 0 GHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C[NH+]4CCCCC4)o3)CC2)cc1 ZINC001141294355 1024429162 /nfs/dbraw/zinc/42/91/62/1024429162.db2.gz BRSUIOPWIKIPGQ-UHFFFAOYSA-N 2 2 395.547 3.922 20 0 GHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C[NH+]4CCCCC4)o3)CC2)cc1 ZINC001141294355 1024429165 /nfs/dbraw/zinc/42/91/65/1024429165.db2.gz BRSUIOPWIKIPGQ-UHFFFAOYSA-N 2 2 395.547 3.922 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1Cl ZINC001138472867 1024900669 /nfs/dbraw/zinc/90/06/69/1024900669.db2.gz LARRGXDGOICYAL-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1Cl ZINC001138472867 1024900672 /nfs/dbraw/zinc/90/06/72/1024900672.db2.gz LARRGXDGOICYAL-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc1Cl ZINC001138472867 1024900680 /nfs/dbraw/zinc/90/06/80/1024900680.db2.gz LARRGXDGOICYAL-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cc1Cl ZINC001138472867 1024900686 /nfs/dbraw/zinc/90/06/86/1024900686.db2.gz LARRGXDGOICYAL-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)cc1 ZINC001138544059 1024987167 /nfs/dbraw/zinc/98/71/67/1024987167.db2.gz BKZJJPOGRTZIJW-UXHICEINSA-N 2 2 382.508 3.764 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)cc1 ZINC001138544059 1024987174 /nfs/dbraw/zinc/98/71/74/1024987174.db2.gz BKZJJPOGRTZIJW-UXHICEINSA-N 2 2 382.508 3.764 20 0 GHADLP Cc1cc(Nc2ccc(C3([NH+]4CCN(C)CC4)CC3)cc2)n(-c2cc[nH+]cc2)n1 ZINC001205102171 1033251963 /nfs/dbraw/zinc/25/19/63/1033251963.db2.gz ISUMPNXVCRBHRE-UHFFFAOYSA-N 2 2 388.519 3.556 20 0 GHADLP Cc1cc(Nc2ccc(C3(N4CC[NH+](C)CC4)CC3)cc2)n(-c2cc[nH+]cc2)n1 ZINC001205102171 1033251969 /nfs/dbraw/zinc/25/19/69/1033251969.db2.gz ISUMPNXVCRBHRE-UHFFFAOYSA-N 2 2 388.519 3.556 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3N3CCCCC3)CC2)C1 ZINC001138607656 1025096832 /nfs/dbraw/zinc/09/68/32/1025096832.db2.gz PNRTYFTZPHXNPR-NRFANRHFSA-N 2 2 399.579 3.526 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3N3CCCCC3)CC2)C1 ZINC001138607656 1025096840 /nfs/dbraw/zinc/09/68/40/1025096840.db2.gz PNRTYFTZPHXNPR-NRFANRHFSA-N 2 2 399.579 3.526 20 0 GHADLP CSc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001138704244 1025229656 /nfs/dbraw/zinc/22/96/56/1025229656.db2.gz YSDORXKGDLABPJ-QXAKKESOSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001138704244 1025229658 /nfs/dbraw/zinc/22/96/58/1025229658.db2.gz YSDORXKGDLABPJ-QXAKKESOSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001138704244 1025229669 /nfs/dbraw/zinc/22/96/69/1025229669.db2.gz YSDORXKGDLABPJ-QXAKKESOSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001138704244 1025229675 /nfs/dbraw/zinc/22/96/75/1025229675.db2.gz YSDORXKGDLABPJ-QXAKKESOSA-N 2 2 388.606 3.993 20 0 GHADLP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(OCCO)cc2)CC1 ZINC001138802570 1025390698 /nfs/dbraw/zinc/39/06/98/1025390698.db2.gz DLZXGODSXJKPFD-UHFFFAOYSA-N 2 2 388.939 3.808 20 0 GHADLP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(OCCO)cc2)CC1 ZINC001138802570 1025390713 /nfs/dbraw/zinc/39/07/13/1025390713.db2.gz DLZXGODSXJKPFD-UHFFFAOYSA-N 2 2 388.939 3.808 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001141558744 1025534708 /nfs/dbraw/zinc/53/47/08/1025534708.db2.gz WMBQZIDQHXJULO-RTWAWAEBSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001141558744 1025534720 /nfs/dbraw/zinc/53/47/20/1025534720.db2.gz WMBQZIDQHXJULO-RTWAWAEBSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001141558745 1025535641 /nfs/dbraw/zinc/53/56/41/1025535641.db2.gz WMBQZIDQHXJULO-SFTDATJTSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001141558745 1025535655 /nfs/dbraw/zinc/53/56/55/1025535655.db2.gz WMBQZIDQHXJULO-SFTDATJTSA-N 2 2 385.939 3.724 20 0 GHADLP CC(C)(C)OC(=O)NCC1(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000839096044 1025594227 /nfs/dbraw/zinc/59/42/27/1025594227.db2.gz KOYBOJWWDNAPOC-UHFFFAOYSA-N 2 2 376.545 3.680 20 0 GHADLP CCC[NH+](CCC)CCCN1CC[NH+](Cc2cnc3[nH]ccc3c2Cl)CC1 ZINC001138934889 1025609275 /nfs/dbraw/zinc/60/92/75/1025609275.db2.gz QMAVYLRDXFNXRM-UHFFFAOYSA-N 2 2 391.991 3.798 20 0 GHADLP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cnn(-c4ccccc4)n3)cc2)CC1 ZINC001461020477 1069340728 /nfs/dbraw/zinc/34/07/28/1069340728.db2.gz BNXRYKRZAXAGKK-UHFFFAOYSA-N 2 2 375.520 3.789 20 0 GHADLP NC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(-c4cccs4)s3)CC2)CC1 ZINC001139023785 1025786341 /nfs/dbraw/zinc/78/63/41/1025786341.db2.gz YVIGBHLIHXZKPH-UHFFFAOYSA-N 2 2 389.590 3.638 20 0 GHADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCC[C@@H](Sc3ccncc3)C2)c1 ZINC001139061388 1025851677 /nfs/dbraw/zinc/85/16/77/1025851677.db2.gz CJFXRHOMTMMDBE-JOCHJYFZSA-N 2 2 383.561 3.671 20 0 GHADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCC[C@@H](Sc3ccncc3)C2)c1 ZINC001139061388 1025851695 /nfs/dbraw/zinc/85/16/95/1025851695.db2.gz CJFXRHOMTMMDBE-JOCHJYFZSA-N 2 2 383.561 3.671 20 0 GHADLP C[C@@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC001461050246 1069360523 /nfs/dbraw/zinc/36/05/23/1069360523.db2.gz ZXNMRJCLLZLQQN-ILXRZTDVSA-N 2 2 381.483 3.685 20 0 GHADLP C[C@@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC001461050246 1069360539 /nfs/dbraw/zinc/36/05/39/1069360539.db2.gz ZXNMRJCLLZLQQN-ILXRZTDVSA-N 2 2 381.483 3.685 20 0 GHADLP C[C@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC001461050252 1069360365 /nfs/dbraw/zinc/36/03/65/1069360365.db2.gz ZXNMRJCLLZLQQN-RBSFLKMASA-N 2 2 381.483 3.685 20 0 GHADLP C[C@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC001461050252 1069360378 /nfs/dbraw/zinc/36/03/78/1069360378.db2.gz ZXNMRJCLLZLQQN-RBSFLKMASA-N 2 2 381.483 3.685 20 0 GHADLP COc1ccccc1-n1c[nH+]c2cc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)ccc21 ZINC001163289295 1026126704 /nfs/dbraw/zinc/12/67/04/1026126704.db2.gz MDFIHHDVMRVFRW-HXOBKFHXSA-N 2 2 392.503 3.605 20 0 GHADLP CC[NH+]1C[C@H]2C[NH+](Cc3cn(C(=O)OC(C)(C)C)c4ccc(OC)cc34)C[C@@H]2C1 ZINC001139298631 1026152883 /nfs/dbraw/zinc/15/28/83/1026152883.db2.gz YKUXZMLDMKCGGZ-IRXDYDNUSA-N 2 2 399.535 3.817 20 0 GHADLP CNC(=O)[C@H](CCCC[NH3+])Nc1cc(-c2ccccc2)c2ccc(OC)cc2[nH+]1 ZINC001163445516 1026198828 /nfs/dbraw/zinc/19/88/28/1026198828.db2.gz SWAGFTHOVBEJPI-FQEVSTJZSA-N 2 2 392.503 3.566 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]2C1 ZINC001139356166 1026227524 /nfs/dbraw/zinc/22/75/24/1026227524.db2.gz GNHRPXWTSHYDCT-MOPGFXCFSA-N 2 2 382.508 3.561 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]2C1 ZINC001139356166 1026227537 /nfs/dbraw/zinc/22/75/37/1026227537.db2.gz GNHRPXWTSHYDCT-MOPGFXCFSA-N 2 2 382.508 3.561 20 0 GHADLP CC(C)(C)OC(=O)NCCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001139356219 1026228246 /nfs/dbraw/zinc/22/82/46/1026228246.db2.gz JNSIFGZEIDOXNZ-UHFFFAOYSA-N 2 2 384.524 3.999 20 0 GHADLP Nc1ncnc(Cl)c1C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001139441669 1026307934 /nfs/dbraw/zinc/30/79/34/1026307934.db2.gz ITTBMZXTONKPJL-UHFFFAOYSA-N 2 2 385.943 3.590 20 0 GHADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001139539107 1026400026 /nfs/dbraw/zinc/40/00/26/1026400026.db2.gz AHIXBQQSQGYUQH-KRWDZBQOSA-N 2 2 396.457 3.657 20 0 GHADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001139539107 1026400031 /nfs/dbraw/zinc/40/00/31/1026400031.db2.gz AHIXBQQSQGYUQH-KRWDZBQOSA-N 2 2 396.457 3.657 20 0 GHADLP CCOC(=O)Cc1cc[nH+]c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1C ZINC001164486341 1026526096 /nfs/dbraw/zinc/52/60/96/1026526096.db2.gz NGSWKBXEDFTFQY-BHDDXSALSA-N 2 2 393.531 3.818 20 0 GHADLP CCOC(=O)Cc1cc[nH+]c(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1C ZINC001164486341 1026526104 /nfs/dbraw/zinc/52/61/04/1026526104.db2.gz NGSWKBXEDFTFQY-BHDDXSALSA-N 2 2 393.531 3.818 20 0 GHADLP c1ccc(C2CC[NH+](Cc3cccc(OCC[NH+]4CCOCC4)c3)CC2)cc1 ZINC001139760911 1026598686 /nfs/dbraw/zinc/59/86/86/1026598686.db2.gz ASBMZBJHKZILJI-UHFFFAOYSA-N 2 2 380.532 3.777 20 0 GHADLP Fc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001139763163 1026601583 /nfs/dbraw/zinc/60/15/83/1026601583.db2.gz HDGGACDUILCXFZ-QHCPKHFHSA-N 2 2 384.495 3.874 20 0 GHADLP Fc1cccc([C@@H]2CCC[N@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001139763163 1026601590 /nfs/dbraw/zinc/60/15/90/1026601590.db2.gz HDGGACDUILCXFZ-QHCPKHFHSA-N 2 2 384.495 3.874 20 0 GHADLP Cc1ccc(N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)[nH+]c1C ZINC001165318352 1026702577 /nfs/dbraw/zinc/70/25/77/1026702577.db2.gz MRNHUDBYOYUPBO-HNNXBMFYSA-N 2 2 387.281 3.687 20 0 GHADLP Cc1[nH+]c2c(n1-c1ncnc3sc(C)c(-c4ccccc4)c31)CC[NH2+]CC2 ZINC001165355758 1026712223 /nfs/dbraw/zinc/71/22/23/1026712223.db2.gz XEWHBQUZWSECDV-UHFFFAOYSA-N 2 2 375.501 3.849 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001140021197 1026805154 /nfs/dbraw/zinc/80/51/54/1026805154.db2.gz JUQCHCUNOFCWFV-UHFFFAOYSA-N 2 2 382.508 3.624 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001140021197 1026805169 /nfs/dbraw/zinc/80/51/69/1026805169.db2.gz JUQCHCUNOFCWFV-UHFFFAOYSA-N 2 2 382.508 3.624 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001140021432 1026806007 /nfs/dbraw/zinc/80/60/07/1026806007.db2.gz MACHRYODXPAXCU-UHFFFAOYSA-N 2 2 384.524 3.917 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001140027305 1026814511 /nfs/dbraw/zinc/81/45/11/1026814511.db2.gz HPPCDLAWYHHTAU-FQEVSTJZSA-N 2 2 387.487 3.803 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001140027305 1026814514 /nfs/dbraw/zinc/81/45/14/1026814514.db2.gz HPPCDLAWYHHTAU-FQEVSTJZSA-N 2 2 387.487 3.803 20 0 GHADLP CSc1nccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001140033748 1026822546 /nfs/dbraw/zinc/82/25/46/1026822546.db2.gz PUOHLIYWIHBEMD-ZYSHUDEJSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1nccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001140033748 1026822558 /nfs/dbraw/zinc/82/25/58/1026822558.db2.gz PUOHLIYWIHBEMD-ZYSHUDEJSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1nccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001140033748 1026822565 /nfs/dbraw/zinc/82/25/65/1026822565.db2.gz PUOHLIYWIHBEMD-ZYSHUDEJSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1nccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001140033748 1026822574 /nfs/dbraw/zinc/82/25/74/1026822574.db2.gz PUOHLIYWIHBEMD-ZYSHUDEJSA-N 2 2 388.606 3.993 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(Cl)c1OC)C2 ZINC001140059571 1026837579 /nfs/dbraw/zinc/83/75/79/1026837579.db2.gz NPJAXCNCXNJAHQ-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(Cl)c1OC)C2 ZINC001140059571 1026837590 /nfs/dbraw/zinc/83/75/90/1026837590.db2.gz NPJAXCNCXNJAHQ-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(Cl)c1OC)C2 ZINC001140059571 1026837606 /nfs/dbraw/zinc/83/76/06/1026837606.db2.gz NPJAXCNCXNJAHQ-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(Cl)c1OC)C2 ZINC001140059571 1026837617 /nfs/dbraw/zinc/83/76/17/1026837617.db2.gz NPJAXCNCXNJAHQ-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP Cc1cc2ccccc2c(N2C[C@@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)[nH+]1 ZINC001165810049 1026844239 /nfs/dbraw/zinc/84/42/39/1026844239.db2.gz UWPLGHMPQCIMPL-ZLNRFVROSA-N 2 2 388.515 3.806 20 0 GHADLP Cc1cc2ccccc2c(N2C[C@@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)[nH+]1 ZINC001165810049 1026844244 /nfs/dbraw/zinc/84/42/44/1026844244.db2.gz UWPLGHMPQCIMPL-ZLNRFVROSA-N 2 2 388.515 3.806 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@](C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC001461206544 1069442957 /nfs/dbraw/zinc/44/29/57/1069442957.db2.gz CLNWSNMEIZEAQK-LJQANCHMSA-N 2 2 376.526 3.717 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1Br)C2 ZINC001203321841 1027275318 /nfs/dbraw/zinc/27/53/18/1027275318.db2.gz VOOOURONZNGVHA-ICSRJNTNSA-N 2 2 393.369 3.629 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1Br)C2 ZINC001203321841 1027275340 /nfs/dbraw/zinc/27/53/40/1027275340.db2.gz VOOOURONZNGVHA-ICSRJNTNSA-N 2 2 393.369 3.629 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1Br)C2 ZINC001203321841 1027275356 /nfs/dbraw/zinc/27/53/56/1027275356.db2.gz VOOOURONZNGVHA-ICSRJNTNSA-N 2 2 393.369 3.629 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1Br)C2 ZINC001203321841 1027275375 /nfs/dbraw/zinc/27/53/75/1027275375.db2.gz VOOOURONZNGVHA-ICSRJNTNSA-N 2 2 393.369 3.629 20 0 GHADLP C[NH2+]Cc1cccc(Nc2ccc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)[nH+]c2)c1 ZINC001211136243 1027805078 /nfs/dbraw/zinc/80/50/78/1027805078.db2.gz FFGXBPNFZMCFKM-LJQANCHMSA-N 2 2 397.523 3.648 20 0 GHADLP C[C@@H]1CCC[C@](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)([NH+](C)C)C1 ZINC001142065199 1028009655 /nfs/dbraw/zinc/00/96/55/1028009655.db2.gz LROJLSBTIDQNFX-ZNLUXHQJSA-N 2 2 391.987 3.931 20 0 GHADLP C[C@@H]1CCC[C@](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)([NH+](C)C)C1 ZINC001142065199 1028009673 /nfs/dbraw/zinc/00/96/73/1028009673.db2.gz LROJLSBTIDQNFX-ZNLUXHQJSA-N 2 2 391.987 3.931 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cc3ccccc3n(C)c2=O)c(C)c1 ZINC001461368780 1069521174 /nfs/dbraw/zinc/52/11/74/1069521174.db2.gz IJLFRNWMIHLFGX-QFIPXVFZSA-N 2 2 386.499 3.883 20 0 GHADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5c(c4)OCCCO5)C[C@@H]3C2)cc1 ZINC001142258727 1028508422 /nfs/dbraw/zinc/50/84/22/1028508422.db2.gz WHBUNMFNFZVNQW-VXKWHMMOSA-N 2 2 378.516 3.720 20 0 GHADLP C[NH+]1CCC(N(C(=O)/C=C/c2ccc(Cn3cc[nH+]c3)cc2)C2CCCC2)CC1 ZINC001142367716 1028766354 /nfs/dbraw/zinc/76/63/54/1028766354.db2.gz BFPVKQYAEBIRCW-ZHACJKMWSA-N 2 2 392.547 3.810 20 0 GHADLP CCCCc1ccc(-c2noc(-c3c[nH+]ccc3N3CC[NH+](C)CC3)n2)cc1 ZINC001214672317 1028849814 /nfs/dbraw/zinc/84/98/14/1028849814.db2.gz WDPMYSUHDNRAPA-UHFFFAOYSA-N 2 2 377.492 3.893 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@H](C2CCCC2)CC1=O ZINC000842597805 1029403641 /nfs/dbraw/zinc/40/36/41/1029403641.db2.gz CSEDADGMJNYZER-OAQYLSRUSA-N 2 2 384.568 3.616 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@H](C2CCCC2)CC1=O ZINC000842597805 1029403652 /nfs/dbraw/zinc/40/36/52/1029403652.db2.gz CSEDADGMJNYZER-OAQYLSRUSA-N 2 2 384.568 3.616 20 0 GHADLP Cc1ccc(-n2c(Cl)c(C[NH2+]Cc3ccc(C[NH3+])cc3)nc2N(C)C)cc1 ZINC000843128324 1029818324 /nfs/dbraw/zinc/81/83/24/1029818324.db2.gz JVHRIRQAVMFJFO-UHFFFAOYSA-N 2 2 383.927 3.649 20 0 GHADLP Cc1nc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)sc1Br ZINC001461589632 1069625993 /nfs/dbraw/zinc/62/59/93/1069625993.db2.gz GCFWISLKKSJAIS-CABCVRRESA-N 2 2 380.355 3.649 20 0 GHADLP Cc1nc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)sc1Br ZINC001461589632 1069625997 /nfs/dbraw/zinc/62/59/97/1069625997.db2.gz GCFWISLKKSJAIS-CABCVRRESA-N 2 2 380.355 3.649 20 0 GHADLP COC(=O)c1ccc2[nH]cc(C[NH+]3C[C@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)c2c1 ZINC001143228190 1029928423 /nfs/dbraw/zinc/92/84/23/1029928423.db2.gz IDGIUCIMTRZSPM-ROUUACIJSA-N 2 2 395.528 3.580 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398302 1029968860 /nfs/dbraw/zinc/96/88/60/1029968860.db2.gz VTRIBNQNHHNUFS-FXAWDEMLSA-N 2 2 384.524 3.667 20 0 GHADLP c1ccc(COc2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc3c2OCO3)cc1 ZINC001222153874 1029980378 /nfs/dbraw/zinc/98/03/78/1029980378.db2.gz BWZQDCHPCNOJPW-QHCPKHFHSA-N 2 2 380.488 3.570 20 0 GHADLP c1ccc(COc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc3c2OCO3)cc1 ZINC001222153874 1029980383 /nfs/dbraw/zinc/98/03/83/1029980383.db2.gz BWZQDCHPCNOJPW-QHCPKHFHSA-N 2 2 380.488 3.570 20 0 GHADLP Cn1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c2cc(Br)ccc21 ZINC001222264730 1030038821 /nfs/dbraw/zinc/03/88/21/1030038821.db2.gz HWGGHVRVCHOVCX-LJQANCHMSA-N 2 2 376.342 3.906 20 0 GHADLP Cn1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c2cc(Br)ccc21 ZINC001222264730 1030038843 /nfs/dbraw/zinc/03/88/43/1030038843.db2.gz HWGGHVRVCHOVCX-LJQANCHMSA-N 2 2 376.342 3.906 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)cc(Br)c1OC ZINC001222307709 1030063206 /nfs/dbraw/zinc/06/32/06/1030063206.db2.gz ADGHIALTPQBGQE-SFHVURJKSA-N 2 2 383.330 3.574 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc(Br)c1OC ZINC001222307709 1030063219 /nfs/dbraw/zinc/06/32/19/1030063219.db2.gz ADGHIALTPQBGQE-SFHVURJKSA-N 2 2 383.330 3.574 20 0 GHADLP Fc1ccc(I)c(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222315305 1030066613 /nfs/dbraw/zinc/06/66/13/1030066613.db2.gz MUYIUHIKJWOECK-INIZCTEOSA-N 2 2 388.268 3.538 20 0 GHADLP Fc1ccc(I)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222315305 1030066633 /nfs/dbraw/zinc/06/66/33/1030066633.db2.gz MUYIUHIKJWOECK-INIZCTEOSA-N 2 2 388.268 3.538 20 0 GHADLP Brc1cc(C[NH+]2CCC3(CCC[NH2+]C3)CC2)ccc1-n1cc[nH+]c1 ZINC001222457475 1030143924 /nfs/dbraw/zinc/14/39/24/1030143924.db2.gz LKCXFACYCGPTCU-UHFFFAOYSA-N 3 2 389.341 3.600 20 0 GHADLP c1ccc([C@@H]2C[N@@H+](Cc3ccc(OC4CCCCC4)nc3)CC23C[NH2+]C3)cc1 ZINC001222609008 1030231921 /nfs/dbraw/zinc/23/19/21/1030231921.db2.gz KUYMCGGOFLJDAD-QFIPXVFZSA-N 2 2 377.532 3.982 20 0 GHADLP c1ccc([C@@H]2C[N@H+](Cc3ccc(OC4CCCCC4)nc3)CC23C[NH2+]C3)cc1 ZINC001222609008 1030231932 /nfs/dbraw/zinc/23/19/32/1030231932.db2.gz KUYMCGGOFLJDAD-QFIPXVFZSA-N 2 2 377.532 3.982 20 0 GHADLP COc1ccc(C(F)(F)F)c(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222614411 1030237658 /nfs/dbraw/zinc/23/76/58/1030237658.db2.gz FLQCYTBBTDLJDI-IBGZPJMESA-N 2 2 376.422 3.903 20 0 GHADLP COc1ccc(C(F)(F)F)c(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222614411 1030237664 /nfs/dbraw/zinc/23/76/64/1030237664.db2.gz FLQCYTBBTDLJDI-IBGZPJMESA-N 2 2 376.422 3.903 20 0 GHADLP CC(C)C[C@@H](C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)n1cc[nH+]c1 ZINC001150331348 1030491838 /nfs/dbraw/zinc/49/18/38/1030491838.db2.gz PAVBJCWLUUAQMP-NRFANRHFSA-N 2 2 384.524 3.974 20 0 GHADLP C[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001223748408 1030736593 /nfs/dbraw/zinc/73/65/93/1030736593.db2.gz MHVINAVCMUSRPK-CEXWTWQISA-N 2 2 391.519 3.527 20 0 GHADLP C[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001223748408 1030736609 /nfs/dbraw/zinc/73/66/09/1030736609.db2.gz MHVINAVCMUSRPK-CEXWTWQISA-N 2 2 391.519 3.527 20 0 GHADLP C[N@H+](CC(=O)c1cccc(O[C@H]2CCC[C@@]23CC[NH2+]C3)c1)Cc1ccccc1 ZINC001218093687 1030767874 /nfs/dbraw/zinc/76/78/74/1030767874.db2.gz KIIXMSONWVESCE-ZEQRLZLVSA-N 2 2 378.516 3.912 20 0 GHADLP C[N@@H+](CC(=O)c1cccc(O[C@H]2CCC[C@@]23CC[NH2+]C3)c1)Cc1ccccc1 ZINC001218093687 1030767894 /nfs/dbraw/zinc/76/78/94/1030767894.db2.gz KIIXMSONWVESCE-ZEQRLZLVSA-N 2 2 378.516 3.912 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C(C)(C)Cc3cccc(Cl)c3)c2)CC1 ZINC001151288848 1030844945 /nfs/dbraw/zinc/84/49/45/1030844945.db2.gz CFIQYHVVQBBEBA-UHFFFAOYSA-N 2 2 386.927 3.694 20 0 GHADLP [NH3+]C1CC[NH+](Cc2ccccc2O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001218410929 1030927479 /nfs/dbraw/zinc/92/74/79/1030927479.db2.gz QJAYMZJYILZXII-QFIPXVFZSA-N 3 2 399.966 3.916 20 0 GHADLP [NH3+]C1CC[NH+](Cc2ccccc2O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001218410929 1030927482 /nfs/dbraw/zinc/92/74/82/1030927482.db2.gz QJAYMZJYILZXII-QFIPXVFZSA-N 3 2 399.966 3.916 20 0 GHADLP O=C(NC1C[NH+](C(c2ccccc2)c2ccccc2)C1)c1ccn2c[nH+]cc2c1 ZINC001151904416 1031046627 /nfs/dbraw/zinc/04/66/27/1031046627.db2.gz LFHZYLRLZQISGN-UHFFFAOYSA-N 2 2 382.467 3.538 20 0 GHADLP CC(C)Oc1cc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)c(Cl)cc1Cl ZINC001219126933 1031263851 /nfs/dbraw/zinc/26/38/51/1031263851.db2.gz UNYMBKDFPZBHCW-OAHLLOKOSA-N 2 2 382.291 3.991 20 0 GHADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001205813966 1033586657 /nfs/dbraw/zinc/58/66/57/1033586657.db2.gz AOPUWBOYUKMHSL-XUZZJYLKSA-N 3 2 392.591 3.568 20 0 GHADLP C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])Cc2ccc(-c3ccccc3)cc2)[C@H](c2ccccc2)C1 ZINC001157494804 1033619176 /nfs/dbraw/zinc/61/91/76/1033619176.db2.gz AZCSLOJWRXDXIL-DQEYMECFSA-N 2 2 399.538 3.739 20 0 GHADLP C[N@H+]1CCN(C(=O)[C@@H]([NH3+])Cc2ccc(-c3ccccc3)cc2)[C@H](c2ccccc2)C1 ZINC001157494804 1033619182 /nfs/dbraw/zinc/61/91/82/1033619182.db2.gz AZCSLOJWRXDXIL-DQEYMECFSA-N 2 2 399.538 3.739 20 0 GHADLP C[N@H+](Cc1ccccc1)C1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001157527427 1033640206 /nfs/dbraw/zinc/64/02/06/1033640206.db2.gz GTZPWUQKJSEKAJ-QHCPKHFHSA-N 2 2 395.522 3.523 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001157527427 1033640217 /nfs/dbraw/zinc/64/02/17/1033640217.db2.gz GTZPWUQKJSEKAJ-QHCPKHFHSA-N 2 2 395.522 3.523 20 0 GHADLP C[NH+](Cc1ccccc1)C1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001157527427 1033640226 /nfs/dbraw/zinc/64/02/26/1033640226.db2.gz GTZPWUQKJSEKAJ-QHCPKHFHSA-N 2 2 395.522 3.523 20 0 GHADLP C[NH+](Cc1ccccc1)C1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)C1 ZINC001157527427 1033640244 /nfs/dbraw/zinc/64/02/44/1033640244.db2.gz GTZPWUQKJSEKAJ-QHCPKHFHSA-N 2 2 395.522 3.523 20 0 GHADLP [NH3+]CCC1CC[NH+](Cc2ccc(Br)cc2OC(F)(F)F)CC1 ZINC001206499731 1033875275 /nfs/dbraw/zinc/87/52/75/1033875275.db2.gz BDYLJRDZONBONM-UHFFFAOYSA-N 2 2 381.236 3.909 20 0 GHADLP COC(=O)c1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(Br)c1 ZINC001206599271 1033920523 /nfs/dbraw/zinc/92/05/23/1033920523.db2.gz PTYYSPPXXSSEOR-MRXNPFEDSA-N 2 2 383.330 3.588 20 0 GHADLP COC(=O)c1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(Br)c1 ZINC001206599271 1033920527 /nfs/dbraw/zinc/92/05/27/1033920527.db2.gz PTYYSPPXXSSEOR-MRXNPFEDSA-N 2 2 383.330 3.588 20 0 GHADLP COc1ccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(Br)c1OC ZINC001206599914 1033921053 /nfs/dbraw/zinc/92/10/53/1033921053.db2.gz YYUCLONWNLAHLB-HNNXBMFYSA-N 2 2 385.346 3.819 20 0 GHADLP COc1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(Br)c1OC ZINC001206599914 1033921060 /nfs/dbraw/zinc/92/10/60/1033921060.db2.gz YYUCLONWNLAHLB-HNNXBMFYSA-N 2 2 385.346 3.819 20 0 GHADLP C[C@@H]1CN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)C[C@@H](C)[NH2+]1 ZINC001158184278 1033955565 /nfs/dbraw/zinc/95/55/65/1033955565.db2.gz CTMFRYJDSWJUSW-HUUCEWRRSA-N 2 2 381.549 3.607 20 0 GHADLP CC1(C)C[C@H](Nc2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@](C)(C[NH3+])C1 ZINC001158264970 1033992838 /nfs/dbraw/zinc/99/28/38/1033992838.db2.gz DRCRNYJNWGJOLK-CYFREDJKSA-N 2 2 393.579 3.991 20 0 GHADLP CC1(C)C[C@H](Nc2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@](C)(C[NH3+])C1 ZINC001158264970 1033992845 /nfs/dbraw/zinc/99/28/45/1033992845.db2.gz DRCRNYJNWGJOLK-CYFREDJKSA-N 2 2 393.579 3.991 20 0 GHADLP Cc1cc(N(C2CC[NH2+]CC2)C(F)(F)c2ccc(F)c(Cl)n2)nc(C)[nH+]1 ZINC001158388861 1034056998 /nfs/dbraw/zinc/05/69/98/1034056998.db2.gz YZMPRDKFFWKZHH-UHFFFAOYSA-N 2 2 385.821 3.589 20 0 GHADLP COc1cc2cc[nH+]c(N3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)c2cc1OC ZINC001158621476 1034203770 /nfs/dbraw/zinc/20/37/70/1034203770.db2.gz GOVDSTYHJPLKNV-GOSISDBHSA-N 2 2 377.435 3.562 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC001207241045 1034204457 /nfs/dbraw/zinc/20/44/57/1034204457.db2.gz SQMCZOQMOVHSSE-QGZVFWFLSA-N 2 2 375.513 3.572 20 0 GHADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)Cc2nnc(C(F)(F)F)n21 ZINC001207295008 1034248976 /nfs/dbraw/zinc/24/89/76/1034248976.db2.gz ZEPAYXUWFMIBDW-OAHLLOKOSA-N 2 2 393.457 3.586 20 0 GHADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)Cc2nnc(C(F)(F)F)n21 ZINC001207295008 1034248990 /nfs/dbraw/zinc/24/89/90/1034248990.db2.gz ZEPAYXUWFMIBDW-OAHLLOKOSA-N 2 2 393.457 3.586 20 0 GHADLP Fc1cccc(C2CC[NH+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)CC2)c1 ZINC001207433926 1034368140 /nfs/dbraw/zinc/36/81/40/1034368140.db2.gz RAJFFBWOXOMGEV-UHFFFAOYSA-N 2 2 398.522 3.916 20 0 GHADLP COc1ccccc1CC[NH+]1CCC2(CCC[N@@H+]2Cc2c(C)noc2C)CC1 ZINC001207451813 1034374643 /nfs/dbraw/zinc/37/46/43/1034374643.db2.gz CALXGVUVVFWSGG-UHFFFAOYSA-N 2 2 383.536 3.973 20 0 GHADLP COc1ccccc1CC[NH+]1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001207451813 1034374660 /nfs/dbraw/zinc/37/46/60/1034374660.db2.gz CALXGVUVVFWSGG-UHFFFAOYSA-N 2 2 383.536 3.973 20 0 GHADLP Fc1ccc(CC[N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)cc1 ZINC001207513723 1034419304 /nfs/dbraw/zinc/41/93/04/1034419304.db2.gz OFVGGDPCOSZJGZ-NRFANRHFSA-N 2 2 389.465 3.997 20 0 GHADLP Fc1ccc(CC[N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)cc1 ZINC001207513723 1034419305 /nfs/dbraw/zinc/41/93/05/1034419305.db2.gz OFVGGDPCOSZJGZ-NRFANRHFSA-N 2 2 389.465 3.997 20 0 GHADLP Fc1ccc(CC[NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1 ZINC001207513723 1034419308 /nfs/dbraw/zinc/41/93/08/1034419308.db2.gz OFVGGDPCOSZJGZ-NRFANRHFSA-N 2 2 389.465 3.997 20 0 GHADLP Fc1ccc(CC[NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1 ZINC001207513723 1034419311 /nfs/dbraw/zinc/41/93/11/1034419311.db2.gz OFVGGDPCOSZJGZ-NRFANRHFSA-N 2 2 389.465 3.997 20 0 GHADLP COCCCOc1ccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001231506463 1034651528 /nfs/dbraw/zinc/65/15/28/1034651528.db2.gz YXOFOWRJMNYDLX-OYRHEFFESA-N 2 2 384.520 3.649 20 0 GHADLP COCCCOc1ccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001231506463 1034651533 /nfs/dbraw/zinc/65/15/33/1034651533.db2.gz YXOFOWRJMNYDLX-OYRHEFFESA-N 2 2 384.520 3.649 20 0 GHADLP COCCCOc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cc1 ZINC001231506463 1034651541 /nfs/dbraw/zinc/65/15/41/1034651541.db2.gz YXOFOWRJMNYDLX-OYRHEFFESA-N 2 2 384.520 3.649 20 0 GHADLP COCCCOc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cc1 ZINC001231506463 1034651549 /nfs/dbraw/zinc/65/15/49/1034651549.db2.gz YXOFOWRJMNYDLX-OYRHEFFESA-N 2 2 384.520 3.649 20 0 GHADLP COc1c[nH+]c(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)nc1NC(C)C ZINC001159555214 1034662910 /nfs/dbraw/zinc/66/29/10/1034662910.db2.gz ZCLUJWTWQRJWKB-GHBBCFCZSA-N 2 2 395.551 3.938 20 0 GHADLP Fc1cccc(OC2CC[NH2+]CC2)c1Nc1ccccc1C[NH+]1CCOCC1 ZINC001160152420 1034881249 /nfs/dbraw/zinc/88/12/49/1034881249.db2.gz PCTHHULONHCTRR-UHFFFAOYSA-N 2 2 385.483 3.532 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1sc3scc(C)c3c1C)CC2 ZINC001231829625 1034934311 /nfs/dbraw/zinc/93/43/11/1034934311.db2.gz QXCFIDDKODUHAH-UHFFFAOYSA-N 2 2 391.606 3.756 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1sc3scc(C)c3c1C)CC2 ZINC001231829625 1034934316 /nfs/dbraw/zinc/93/43/16/1034934316.db2.gz QXCFIDDKODUHAH-UHFFFAOYSA-N 2 2 391.606 3.756 20 0 GHADLP FC1(F)CN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC[C@H]1[NH+]1CCCC1 ZINC001208592725 1034947809 /nfs/dbraw/zinc/94/78/09/1034947809.db2.gz AHTDGGGAEMCXHY-NHCUHLMSSA-N 2 2 377.523 3.847 20 0 GHADLP FC1(F)CN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[C@H]1[NH+]1CCCC1 ZINC001208592725 1034947814 /nfs/dbraw/zinc/94/78/14/1034947814.db2.gz AHTDGGGAEMCXHY-NHCUHLMSSA-N 2 2 377.523 3.847 20 0 GHADLP COCC[N@H+](Cc1ccc(Br)c2cccnc12)C1CC[NH+](C)CC1 ZINC001231956566 1035005705 /nfs/dbraw/zinc/00/57/05/1035005705.db2.gz VRGRWDVTVYHECH-UHFFFAOYSA-N 2 2 392.341 3.540 20 0 GHADLP COCC[N@@H+](Cc1ccc(Br)c2cccnc12)C1CC[NH+](C)CC1 ZINC001231956566 1035005717 /nfs/dbraw/zinc/00/57/17/1035005717.db2.gz VRGRWDVTVYHECH-UHFFFAOYSA-N 2 2 392.341 3.540 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cccc3c[nH]nc31)C2 ZINC001231970777 1035015333 /nfs/dbraw/zinc/01/53/33/1035015333.db2.gz DUKBZPAISJQADC-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cccc3c[nH]nc31)C2 ZINC001231970777 1035015344 /nfs/dbraw/zinc/01/53/44/1035015344.db2.gz DUKBZPAISJQADC-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1cccc3c[nH]nc31)C2 ZINC001231970777 1035015350 /nfs/dbraw/zinc/01/53/50/1035015350.db2.gz DUKBZPAISJQADC-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1cccc3c[nH]nc31)C2 ZINC001231970777 1035015359 /nfs/dbraw/zinc/01/53/59/1035015359.db2.gz DUKBZPAISJQADC-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@@H+]2C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208942712 1035111091 /nfs/dbraw/zinc/11/10/91/1035111091.db2.gz RGVSWWSIYIXKNG-NRFANRHFSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@H+]2C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208942712 1035111093 /nfs/dbraw/zinc/11/10/93/1035111093.db2.gz RGVSWWSIYIXKNG-NRFANRHFSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCCC[NH+]2C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208942712 1035111095 /nfs/dbraw/zinc/11/10/95/1035111095.db2.gz RGVSWWSIYIXKNG-NRFANRHFSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCCC[NH+]2C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208942712 1035111096 /nfs/dbraw/zinc/11/10/96/1035111096.db2.gz RGVSWWSIYIXKNG-NRFANRHFSA-N 2 2 399.579 3.984 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001232146153 1035124551 /nfs/dbraw/zinc/12/45/51/1035124551.db2.gz JNZQOHNDVJHUGX-IYBDPMFKSA-N 2 2 379.520 3.717 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001232146153 1035124554 /nfs/dbraw/zinc/12/45/54/1035124554.db2.gz JNZQOHNDVJHUGX-IYBDPMFKSA-N 2 2 379.520 3.717 20 0 GHADLP COC(=O)CCCCCCCCC[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001209096139 1035171738 /nfs/dbraw/zinc/17/17/38/1035171738.db2.gz YDWYIOFUDJUROJ-SFTDATJTSA-N 2 2 387.568 3.739 20 0 GHADLP Fc1ccccc1C[NH+]1CCC(CNc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC001161193824 1035175892 /nfs/dbraw/zinc/17/58/92/1035175892.db2.gz FHENZVSZKQBGOU-UHFFFAOYSA-N 2 2 383.515 3.930 20 0 GHADLP Fc1ccccc1C[NH+]1CCC(CNc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC001161193824 1035175898 /nfs/dbraw/zinc/17/58/98/1035175898.db2.gz FHENZVSZKQBGOU-UHFFFAOYSA-N 2 2 383.515 3.930 20 0 GHADLP COC(=O)c1ccc2cc[nH+]c(NCC3CC[NH+](Cc4ccccn4)CC3)c2c1 ZINC001161242616 1035189534 /nfs/dbraw/zinc/18/95/34/1035189534.db2.gz ANOMUZVWHZHOSO-UHFFFAOYSA-N 2 2 390.487 3.741 20 0 GHADLP [NH3+]C1(C(=O)NCc2ccccc2)CCN(c2[nH+]ccc3cc(Cl)ccc32)CC1 ZINC001161525279 1035250147 /nfs/dbraw/zinc/25/01/47/1035250147.db2.gz AGZBCVORSIMJCT-UHFFFAOYSA-N 2 2 394.906 3.502 20 0 GHADLP Cc1ccc2[nH]cc(C[NH+]3CCC4(CCC[N@H+]4Cc4cnn(C)c4)CC3)c2c1 ZINC001209491595 1035290770 /nfs/dbraw/zinc/29/07/70/1035290770.db2.gz AFYHWPZUVHVMOV-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP Cc1ccc2[nH]cc(C[NH+]3CCC4(CCC[N@@H+]4Cc4cnn(C)c4)CC3)c2c1 ZINC001209491595 1035290773 /nfs/dbraw/zinc/29/07/73/1035290773.db2.gz AFYHWPZUVHVMOV-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP Cc1cc(-c2ccc(OCC[NH+]3CCCCC3)cc2)c[nH+]c1N1CCOCC1 ZINC001241758708 1035678575 /nfs/dbraw/zinc/67/85/75/1035678575.db2.gz JZXYQRHAXQENHQ-UHFFFAOYSA-N 2 2 381.520 3.758 20 0 GHADLP CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2ccccc2C[NH+]2CCOCC2)n1C ZINC001241983056 1035775267 /nfs/dbraw/zinc/77/52/67/1035775267.db2.gz LQZJKJHZSGGRLB-UHFFFAOYSA-N 2 2 393.487 3.558 20 0 GHADLP COCC[N@H+](Cc1cc(OC(C)C)cc(OC(C)C)c1)C1CC[NH+](C)CC1 ZINC001248658638 1036033915 /nfs/dbraw/zinc/03/39/15/1036033915.db2.gz OWOWIJSTRWUTQU-UHFFFAOYSA-N 2 2 378.557 3.804 20 0 GHADLP COCC[N@@H+](Cc1cc(OC(C)C)cc(OC(C)C)c1)C1CC[NH+](C)CC1 ZINC001248658638 1036033935 /nfs/dbraw/zinc/03/39/35/1036033935.db2.gz OWOWIJSTRWUTQU-UHFFFAOYSA-N 2 2 378.557 3.804 20 0 GHADLP C[NH+](C)CCc1c[nH]c2ccc(-c3cc(F)ccc3C[NH+]3CCOCC3)cc12 ZINC001243102626 1036034162 /nfs/dbraw/zinc/03/41/62/1036034162.db2.gz HMUXSRDUSHNDLY-UHFFFAOYSA-N 2 2 381.495 3.910 20 0 GHADLP O=C(c1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(Cl)c1)N1CCCCC1 ZINC001243504795 1036184158 /nfs/dbraw/zinc/18/41/58/1036184158.db2.gz WFNQXKUNWRJKIL-UHFFFAOYSA-N 2 2 394.906 3.968 20 0 GHADLP c1cn(-c2ccc(-c3ccc(C4=CC[C@H]([NH+]5CCOCC5)CC4)nn3)cc2)c[nH+]1 ZINC001245420263 1036917102 /nfs/dbraw/zinc/91/71/02/1036917102.db2.gz SEKGPWDXCSHWMI-FQEVSTJZSA-N 2 2 387.487 3.597 20 0 GHADLP O[C@@H](C[NH2+]C[C@H]1CCC[NH2+]1)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245980120 1037106138 /nfs/dbraw/zinc/10/61/38/1037106138.db2.gz GMEFPGHWIDUISC-APWZRJJASA-N 2 2 377.315 3.940 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)c1c(Cl)cccc1Cl ZINC001245991100 1037112582 /nfs/dbraw/zinc/11/25/82/1037112582.db2.gz BNMBUZJKRXPDIR-GPNNCHTKSA-N 2 2 389.273 3.853 20 0 GHADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC001246016997 1037135759 /nfs/dbraw/zinc/13/57/59/1037135759.db2.gz PIUSSDPYZOXYFU-SLFFLAALSA-N 2 2 389.337 3.517 20 0 GHADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC001246016997 1037135804 /nfs/dbraw/zinc/13/58/04/1037135804.db2.gz PIUSSDPYZOXYFU-SLFFLAALSA-N 2 2 389.337 3.517 20 0 GHADLP O[C@]1(C[N@@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC001246062754 1037175747 /nfs/dbraw/zinc/17/57/47/1037175747.db2.gz GAPFPIZNLXBJQB-WWNPGLIZSA-N 2 2 397.950 3.560 20 0 GHADLP O[C@]1(C[N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC001246062754 1037175749 /nfs/dbraw/zinc/17/57/49/1037175749.db2.gz GAPFPIZNLXBJQB-WWNPGLIZSA-N 2 2 397.950 3.560 20 0 GHADLP O[C@]1(C[NH+]2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC001246062754 1037175752 /nfs/dbraw/zinc/17/57/52/1037175752.db2.gz GAPFPIZNLXBJQB-WWNPGLIZSA-N 2 2 397.950 3.560 20 0 GHADLP O[C@]1(C[NH+]2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001246062754 1037175763 /nfs/dbraw/zinc/17/57/63/1037175763.db2.gz GAPFPIZNLXBJQB-WWNPGLIZSA-N 2 2 397.950 3.560 20 0 GHADLP O[C@]1(C[N@@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC001246062753 1037175907 /nfs/dbraw/zinc/17/59/07/1037175907.db2.gz GAPFPIZNLXBJQB-PUHATCMVSA-N 2 2 397.950 3.560 20 0 GHADLP O[C@]1(C[N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC001246062753 1037175910 /nfs/dbraw/zinc/17/59/10/1037175910.db2.gz GAPFPIZNLXBJQB-PUHATCMVSA-N 2 2 397.950 3.560 20 0 GHADLP O[C@]1(C[NH+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC001246062753 1037175920 /nfs/dbraw/zinc/17/59/20/1037175920.db2.gz GAPFPIZNLXBJQB-PUHATCMVSA-N 2 2 397.950 3.560 20 0 GHADLP O[C@]1(C[NH+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001246062753 1037175926 /nfs/dbraw/zinc/17/59/26/1037175926.db2.gz GAPFPIZNLXBJQB-PUHATCMVSA-N 2 2 397.950 3.560 20 0 GHADLP COc1ccc(Br)c(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)n1 ZINC001278441845 1037282302 /nfs/dbraw/zinc/28/23/02/1037282302.db2.gz ICDLQNVIFZPUAI-UHFFFAOYSA-N 2 2 394.357 3.693 20 0 GHADLP COc1cccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)c1 ZINC001246361966 1037323399 /nfs/dbraw/zinc/32/33/99/1037323399.db2.gz PPONRKLZUBANGS-ZFGGDYGUSA-N 2 2 397.538 3.800 20 0 GHADLP COc1cccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)c1 ZINC001246361966 1037323418 /nfs/dbraw/zinc/32/34/18/1037323418.db2.gz PPONRKLZUBANGS-ZFGGDYGUSA-N 2 2 397.538 3.800 20 0 GHADLP COc1cccc(CN2CC[C@H]([NH2+][C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)c1 ZINC001246361966 1037323435 /nfs/dbraw/zinc/32/34/35/1037323435.db2.gz PPONRKLZUBANGS-ZFGGDYGUSA-N 2 2 397.538 3.800 20 0 GHADLP O=C1C[C@H]([NH2+]C2(c3ccccc3Cl)CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001246370283 1037328306 /nfs/dbraw/zinc/32/83/06/1037328306.db2.gz BANJTHLAZZBATI-LJQANCHMSA-N 2 2 397.950 3.700 20 0 GHADLP [NH3+]C1(Cc2ccc(F)cc2)CC[NH+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246395103 1037356200 /nfs/dbraw/zinc/35/62/00/1037356200.db2.gz MNDYJRFFWHYWPR-GOTSBHOMSA-N 3 2 381.539 3.525 20 0 GHADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@@H]2CCc3ccc(Br)cc3C2)c1 ZINC001246513017 1037449563 /nfs/dbraw/zinc/44/95/63/1037449563.db2.gz UQTWXYFVFIECBN-IEBWSBKVSA-N 2 2 375.310 3.605 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H](N2CC[NH+](Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246522765 1037454554 /nfs/dbraw/zinc/45/45/54/1037454554.db2.gz GLGHFARLTBVESL-GGAORHGYSA-N 2 2 385.502 3.884 20 0 GHADLP C(=C/c1ccccc1)\CN1CC[NH+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246535854 1037471503 /nfs/dbraw/zinc/47/15/03/1037471503.db2.gz MPMAAUTXWSLQKF-UUBJJMNHSA-N 2 2 375.560 3.681 20 0 GHADLP c1ccc(C[C@H]2C[C@@H]([N@H+]3CCO[C@H]4[C@H](OCC5CCCC5)CC[C@@H]43)CC[NH2+]2)cc1 ZINC001246692483 1037550491 /nfs/dbraw/zinc/55/04/91/1037550491.db2.gz HCPZFADSGHEXIZ-AMGAHSPLSA-N 2 2 398.591 3.788 20 0 GHADLP c1ccc(C[C@H]2C[C@@H]([N@@H+]3CCO[C@H]4[C@H](OCC5CCCC5)CC[C@@H]43)CC[NH2+]2)cc1 ZINC001246692483 1037550508 /nfs/dbraw/zinc/55/05/08/1037550508.db2.gz HCPZFADSGHEXIZ-AMGAHSPLSA-N 2 2 398.591 3.788 20 0 GHADLP c1ccc([C@@H]2C[C@@H]([N@H+]3CCO[C@]4(CCCN(c5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246714239 1037566520 /nfs/dbraw/zinc/56/65/20/1037566520.db2.gz JYPGPAIPTFKDJJ-SDHOMARFSA-N 2 2 391.559 3.851 20 0 GHADLP c1ccc([C@@H]2C[C@@H]([N@@H+]3CCO[C@]4(CCCN(c5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246714239 1037566538 /nfs/dbraw/zinc/56/65/38/1037566538.db2.gz JYPGPAIPTFKDJJ-SDHOMARFSA-N 2 2 391.559 3.851 20 0 GHADLP CC[C@H]1CC([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246755703 1037595482 /nfs/dbraw/zinc/59/54/82/1037595482.db2.gz IYGUHMOKCQVLRP-VXKWHMMOSA-N 3 2 385.596 3.663 20 0 GHADLP CC[C@H]1CC([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246755703 1037595505 /nfs/dbraw/zinc/59/55/05/1037595505.db2.gz IYGUHMOKCQVLRP-VXKWHMMOSA-N 3 2 385.596 3.663 20 0 GHADLP c1ccc([C@@H]2C[C@H]([NH+]3CCN(c4nc5ccccc5s4)CC3)CC[NH2+]2)cc1 ZINC001246782960 1037624266 /nfs/dbraw/zinc/62/42/66/1037624266.db2.gz YDWRVPQARIXOHT-QUCCMNQESA-N 2 2 378.545 3.912 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246792737 1037634051 /nfs/dbraw/zinc/63/40/51/1037634051.db2.gz WMWRCXTZYUJKQK-JTSKRJEESA-N 2 2 385.502 3.812 20 0 GHADLP C[C@H]1C[C@@H](N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246792737 1037634060 /nfs/dbraw/zinc/63/40/60/1037634060.db2.gz WMWRCXTZYUJKQK-JTSKRJEESA-N 2 2 385.502 3.812 20 0 GHADLP c1ccc(C[C@@H]2C[C@H]([NH+]3CCN(c4ccc5ccccc5n4)CC3)CC[NH2+]2)cc1 ZINC001246843532 1037670501 /nfs/dbraw/zinc/67/05/01/1037670501.db2.gz KDPPNMPQYJYXOP-DHIUTWEWSA-N 2 2 386.543 3.720 20 0 GHADLP c1ccc(C[C@H]2C[C@H]([NH+]3CCN(c4ccc5ccccc5n4)CC3)CC[NH2+]2)cc1 ZINC001246843555 1037671075 /nfs/dbraw/zinc/67/10/75/1037671075.db2.gz KDPPNMPQYJYXOP-XZOQPEGZSA-N 2 2 386.543 3.720 20 0 GHADLP CCOc1cccc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)n1 ZINC001246848820 1037673922 /nfs/dbraw/zinc/67/39/22/1037673922.db2.gz CMGIDDSZFOAUAV-CTNGQTDRSA-N 2 2 398.526 3.543 20 0 GHADLP COc1cc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)ccc1Cl ZINC001246887277 1037701810 /nfs/dbraw/zinc/70/18/10/1037701810.db2.gz LEXIVIDFXKYEEN-FPOVZHCZSA-N 2 2 399.966 3.834 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)[nH+]c1 ZINC001246960413 1037779505 /nfs/dbraw/zinc/77/95/05/1037779505.db2.gz KYZPCTBLSXPONC-RBBKRZOGSA-N 3 2 382.527 3.889 20 0 GHADLP Cc1cncnc1O[C@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246975631 1037798872 /nfs/dbraw/zinc/79/88/72/1037798872.db2.gz MQCOZZZIWXRNAY-DYXWJJEUSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1cncnc1O[C@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246975631 1037798893 /nfs/dbraw/zinc/79/88/93/1037798893.db2.gz MQCOZZZIWXRNAY-DYXWJJEUSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)n1 ZINC001246975447 1037801419 /nfs/dbraw/zinc/80/14/19/1037801419.db2.gz UBUCWKRJRXKMSE-SBHAEUEKSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)n1 ZINC001246975447 1037801438 /nfs/dbraw/zinc/80/14/38/1037801438.db2.gz UBUCWKRJRXKMSE-SBHAEUEKSA-N 2 2 384.499 3.569 20 0 GHADLP CCOc1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1C ZINC001232308377 1038062407 /nfs/dbraw/zinc/06/24/07/1038062407.db2.gz IPAZTQNMVPHMPE-PMVMPFDFSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1C ZINC001232308377 1038062429 /nfs/dbraw/zinc/06/24/29/1038062429.db2.gz IPAZTQNMVPHMPE-PMVMPFDFSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1C ZINC001232308377 1038062451 /nfs/dbraw/zinc/06/24/51/1038062451.db2.gz IPAZTQNMVPHMPE-PMVMPFDFSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1C ZINC001232308377 1038062473 /nfs/dbraw/zinc/06/24/73/1038062473.db2.gz IPAZTQNMVPHMPE-PMVMPFDFSA-N 2 2 394.563 3.916 20 0 GHADLP CSc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001232328719 1038107041 /nfs/dbraw/zinc/10/70/41/1038107041.db2.gz IDAOMJRBPVPVST-JBACZVJFSA-N 2 2 382.577 3.931 20 0 GHADLP CSc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001232328719 1038107054 /nfs/dbraw/zinc/10/70/54/1038107054.db2.gz IDAOMJRBPVPVST-JBACZVJFSA-N 2 2 382.577 3.931 20 0 GHADLP CSc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001232328719 1038107069 /nfs/dbraw/zinc/10/70/69/1038107069.db2.gz IDAOMJRBPVPVST-JBACZVJFSA-N 2 2 382.577 3.931 20 0 GHADLP CSc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001232328719 1038107076 /nfs/dbraw/zinc/10/70/76/1038107076.db2.gz IDAOMJRBPVPVST-JBACZVJFSA-N 2 2 382.577 3.931 20 0 GHADLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3ccc(Cl)s3)cn2)CC1 ZINC001232365757 1038141895 /nfs/dbraw/zinc/14/18/95/1038141895.db2.gz IZWNYHXVMCJWNQ-INIZCTEOSA-N 2 2 376.957 3.885 20 0 GHADLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3ccc(Cl)s3)cn2)CC1 ZINC001232365757 1038141900 /nfs/dbraw/zinc/14/19/00/1038141900.db2.gz IZWNYHXVMCJWNQ-INIZCTEOSA-N 2 2 376.957 3.885 20 0 GHADLP Cc1ccc(OCc2ccccc2)c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC001232375757 1038150395 /nfs/dbraw/zinc/15/03/95/1038150395.db2.gz DYKVBWCVKLCNQV-UHFFFAOYSA-N 2 2 393.575 3.787 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2c[nH]c4nccc(Cl)c24)CC3)cn1 ZINC001232456257 1038242310 /nfs/dbraw/zinc/24/23/10/1038242310.db2.gz CGNJIEKQUWZRFV-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2c[nH]c4nccc(Cl)c24)CC3)cn1 ZINC001232456257 1038242321 /nfs/dbraw/zinc/24/23/21/1038242321.db2.gz CGNJIEKQUWZRFV-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC001462262863 1070129461 /nfs/dbraw/zinc/12/94/61/1070129461.db2.gz XKBCLJWMZKBXLJ-OALUTQOASA-N 2 2 394.506 3.998 20 0 GHADLP CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC001462262863 1070129470 /nfs/dbraw/zinc/12/94/70/1070129470.db2.gz XKBCLJWMZKBXLJ-OALUTQOASA-N 2 2 394.506 3.998 20 0 GHADLP CCCC[NH+]1CCC([N@H+](C)Cc2c(Cl)c3ccccc3n(C)c2=O)CC1 ZINC001232648098 1038434833 /nfs/dbraw/zinc/43/48/33/1038434833.db2.gz YUABSSYGSBQOLU-UHFFFAOYSA-N 2 2 375.944 3.888 20 0 GHADLP CCCC[NH+]1CCC([N@@H+](C)Cc2c(Cl)c3ccccc3n(C)c2=O)CC1 ZINC001232648098 1038434840 /nfs/dbraw/zinc/43/48/40/1038434840.db2.gz YUABSSYGSBQOLU-UHFFFAOYSA-N 2 2 375.944 3.888 20 0 GHADLP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC001233095328 1038869696 /nfs/dbraw/zinc/86/96/96/1038869696.db2.gz MCCQQWAJWPDBRP-UHFFFAOYSA-N 2 2 377.916 3.914 20 0 GHADLP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001233095328 1038869716 /nfs/dbraw/zinc/86/97/16/1038869716.db2.gz MCCQQWAJWPDBRP-UHFFFAOYSA-N 2 2 377.916 3.914 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH+]2CC(Cc3ccc(F)cc3)C2)c2c1OC(F)(F)O2 ZINC001462318946 1070167290 /nfs/dbraw/zinc/16/72/90/1070167290.db2.gz CGBKUYBMXIFPIC-UHFFFAOYSA-N 2 2 392.421 3.883 20 0 GHADLP C[C@H](C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[NH+]1CCCCCC1 ZINC001252383976 1038969397 /nfs/dbraw/zinc/96/93/97/1038969397.db2.gz QAFVPIRIOQOJLA-QGZVFWFLSA-N 2 2 383.540 3.752 20 0 GHADLP C[C@H](C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[NH+]1CCCCCC1 ZINC001252383976 1038969413 /nfs/dbraw/zinc/96/94/13/1038969413.db2.gz QAFVPIRIOQOJLA-QGZVFWFLSA-N 2 2 383.540 3.752 20 0 GHADLP CC1(C)CCC[N@@H+]1CCNC1CC[NH+](Cc2ccccc2Br)CC1 ZINC001462334289 1070180184 /nfs/dbraw/zinc/18/01/84/1070180184.db2.gz LQBZKRMTPYHAJX-UHFFFAOYSA-N 2 2 394.401 3.878 20 0 GHADLP CC1(C)CCC[N@H+]1CCNC1CC[NH+](Cc2ccccc2Br)CC1 ZINC001462334289 1070180190 /nfs/dbraw/zinc/18/01/90/1070180190.db2.gz LQBZKRMTPYHAJX-UHFFFAOYSA-N 2 2 394.401 3.878 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)CC2)c1 ZINC001233340205 1039144992 /nfs/dbraw/zinc/14/49/92/1039144992.db2.gz SDTJPCMYSVWGOJ-UHFFFAOYSA-N 2 2 398.507 3.759 20 0 GHADLP FC(F)COc1ccnc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001254320952 1040171370 /nfs/dbraw/zinc/17/13/70/1040171370.db2.gz XUGZUALAJGESOU-UHFFFAOYSA-N 2 2 375.463 3.522 20 0 GHADLP COc1ccc2[nH]cc(C[N@@H+]3CCc4ccc(OC)cc4C34CC[NH2+]CC4)c2c1 ZINC001235016643 1040504973 /nfs/dbraw/zinc/50/49/73/1040504973.db2.gz AFMLXFHCLCPVDI-UHFFFAOYSA-N 2 2 391.515 3.822 20 0 GHADLP COc1ccc2[nH]cc(C[N@H+]3CCc4ccc(OC)cc4C34CC[NH2+]CC4)c2c1 ZINC001235016643 1040504991 /nfs/dbraw/zinc/50/49/91/1040504991.db2.gz AFMLXFHCLCPVDI-UHFFFAOYSA-N 2 2 391.515 3.822 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1c[nH]c3cc(Cl)ncc13)CC2 ZINC001235021088 1040512388 /nfs/dbraw/zinc/51/23/88/1040512388.db2.gz XVBIMYNINLWHFP-UHFFFAOYSA-N 2 2 396.922 3.862 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1c[nH]c3cc(Cl)ncc13)CC2 ZINC001235021088 1040512405 /nfs/dbraw/zinc/51/24/05/1040512405.db2.gz XVBIMYNINLWHFP-UHFFFAOYSA-N 2 2 396.922 3.862 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CCC[C@]1(C)O ZINC001235026916 1040518307 /nfs/dbraw/zinc/51/83/07/1040518307.db2.gz JJTHOTTXLLKXRJ-KSSFIOAISA-N 2 2 378.314 3.618 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CCC[C@]1(C)O ZINC001235026916 1040518331 /nfs/dbraw/zinc/51/83/31/1040518331.db2.gz JJTHOTTXLLKXRJ-KSSFIOAISA-N 2 2 378.314 3.618 20 0 GHADLP Clc1cc(Cl)cc(Oc2cccc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)c2)c1 ZINC001235060202 1040549599 /nfs/dbraw/zinc/54/95/99/1040549599.db2.gz FSZWYKWKVJWUBP-FQEVSTJZSA-N 2 2 392.330 3.923 20 0 GHADLP Clc1cc(Cl)cc(Oc2cccc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)c2)c1 ZINC001235060202 1040549617 /nfs/dbraw/zinc/54/96/17/1040549617.db2.gz FSZWYKWKVJWUBP-FQEVSTJZSA-N 2 2 392.330 3.923 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@@H+]([C@@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254854706 1040598977 /nfs/dbraw/zinc/59/89/77/1040598977.db2.gz HIURPAQUQJMOPO-KNQAVFIVSA-N 2 2 377.573 3.726 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@H+]([C@@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254854706 1040598990 /nfs/dbraw/zinc/59/89/90/1040598990.db2.gz HIURPAQUQJMOPO-KNQAVFIVSA-N 2 2 377.573 3.726 20 0 GHADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(OCc3ccccc3)cc1)C2 ZINC001235223962 1040706716 /nfs/dbraw/zinc/70/67/16/1040706716.db2.gz IFGPDPNNEUXHNS-ICSRJNTNSA-N 2 2 376.422 3.849 20 0 GHADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc(OCc3ccccc3)cc1)C2 ZINC001235223962 1040706730 /nfs/dbraw/zinc/70/67/30/1040706730.db2.gz IFGPDPNNEUXHNS-ICSRJNTNSA-N 2 2 376.422 3.849 20 0 GHADLP [NH2+]=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1F ZINC001255102877 1040783674 /nfs/dbraw/zinc/78/36/74/1040783674.db2.gz PVLXMBIEERUIQP-OAHLLOKOSA-N 2 2 376.273 3.778 20 0 GHADLP [NH2+]=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cc1F ZINC001255102877 1040783688 /nfs/dbraw/zinc/78/36/88/1040783688.db2.gz PVLXMBIEERUIQP-OAHLLOKOSA-N 2 2 376.273 3.778 20 0 GHADLP FC(F)(F)Cn1cnc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001255132996 1040831391 /nfs/dbraw/zinc/83/13/91/1040831391.db2.gz OHSTWLJGZCPMBW-GGPHIMKMSA-N 2 2 378.442 3.731 20 0 GHADLP FC(F)(F)Cn1cnc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255132996 1040831396 /nfs/dbraw/zinc/83/13/96/1040831396.db2.gz OHSTWLJGZCPMBW-GGPHIMKMSA-N 2 2 378.442 3.731 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc(F)c1OC ZINC001235364349 1040851957 /nfs/dbraw/zinc/85/19/57/1040851957.db2.gz LRDDPEOCNLCIIM-XXBNENTESA-N 2 2 384.495 3.596 20 0 GHADLP COc1cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc(F)c1OC ZINC001235364349 1040851961 /nfs/dbraw/zinc/85/19/61/1040851961.db2.gz LRDDPEOCNLCIIM-XXBNENTESA-N 2 2 384.495 3.596 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1C[NH+](Cc3ccccc3)C1)C2 ZINC001255220590 1040912745 /nfs/dbraw/zinc/91/27/45/1040912745.db2.gz OSHCBCIUZVXMSP-MZADTFQBSA-N 2 2 385.552 3.639 20 0 GHADLP CC(C)C[C@H]1C[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCN1C(=O)OC(C)(C)C ZINC001255681301 1041212790 /nfs/dbraw/zinc/21/27/90/1041212790.db2.gz RIDUNYYEIUXMBH-XNMUZJSGSA-N 2 2 379.589 3.969 20 0 GHADLP CC(C)C[C@H]1C[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCN1C(=O)OC(C)(C)C ZINC001255681301 1041212810 /nfs/dbraw/zinc/21/28/10/1041212810.db2.gz RIDUNYYEIUXMBH-XNMUZJSGSA-N 2 2 379.589 3.969 20 0 GHADLP CC(C)C[C@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN1C(=O)OC(C)(C)C ZINC001255681301 1041212826 /nfs/dbraw/zinc/21/28/26/1041212826.db2.gz RIDUNYYEIUXMBH-XNMUZJSGSA-N 2 2 379.589 3.969 20 0 GHADLP CC(C)C[C@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN1C(=O)OC(C)(C)C ZINC001255681301 1041212833 /nfs/dbraw/zinc/21/28/33/1041212833.db2.gz RIDUNYYEIUXMBH-XNMUZJSGSA-N 2 2 379.589 3.969 20 0 GHADLP Cc1ccc(SC[C@@H](C)[NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC001255767098 1041283117 /nfs/dbraw/zinc/28/31/17/1041283117.db2.gz CTYDHKGAHXWWQZ-LJQANCHMSA-N 2 2 397.592 3.688 20 0 GHADLP Cc1cccn2c(CN3CC[NH2+][C@H](c4cccc(Br)c4)C3)c[nH+]c12 ZINC001235794229 1041292120 /nfs/dbraw/zinc/29/21/20/1041292120.db2.gz SOIUGKIUZIUZHV-SFHVURJKSA-N 2 2 385.309 3.552 20 0 GHADLP COCCC[N@H+](Cc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CCC[NH2+]C1 ZINC001235808436 1041317935 /nfs/dbraw/zinc/31/79/35/1041317935.db2.gz SUXAKHGJXWXNBG-NRFANRHFSA-N 2 2 378.520 3.616 20 0 GHADLP COCCC[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CCC[NH2+]C1 ZINC001235808436 1041317951 /nfs/dbraw/zinc/31/79/51/1041317951.db2.gz SUXAKHGJXWXNBG-NRFANRHFSA-N 2 2 378.520 3.616 20 0 GHADLP COCCC[N@H+](Cc1ccc2nc(Br)sc2c1)[C@@H]1CCC[NH2+]C1 ZINC001235810084 1041321998 /nfs/dbraw/zinc/32/19/98/1041321998.db2.gz MRMUHQJJAPGNRV-CQSZACIVSA-N 2 2 398.370 3.649 20 0 GHADLP COCCC[N@@H+](Cc1ccc2nc(Br)sc2c1)[C@@H]1CCC[NH2+]C1 ZINC001235810084 1041322020 /nfs/dbraw/zinc/32/20/20/1041322020.db2.gz MRMUHQJJAPGNRV-CQSZACIVSA-N 2 2 398.370 3.649 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)c1ccccc1Cl ZINC001255896649 1041381338 /nfs/dbraw/zinc/38/13/38/1041381338.db2.gz MENWVXUMKKQGBQ-HXUWFJFHSA-N 2 2 397.910 3.734 20 0 GHADLP Clc1ccc2c(c1)C(N1CC[NH+](C[C@@H]3CC[NH2+]C3)CC1)=Nc1ccccc1O2 ZINC001235866597 1041400464 /nfs/dbraw/zinc/40/04/64/1041400464.db2.gz XZJKYSDPMFBXKU-MRXNPFEDSA-N 2 2 396.922 3.751 20 0 GHADLP COCC[N@H+](Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1)C1CC[NH2+]CC1 ZINC001235943234 1041449403 /nfs/dbraw/zinc/44/94/03/1041449403.db2.gz HAWOWOCFEJQWLO-UHFFFAOYSA-N 2 2 393.453 3.968 20 0 GHADLP COCC[N@@H+](Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1)C1CC[NH2+]CC1 ZINC001235943234 1041449409 /nfs/dbraw/zinc/44/94/09/1041449409.db2.gz HAWOWOCFEJQWLO-UHFFFAOYSA-N 2 2 393.453 3.968 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@H](C)Cc3cccc(OC)c3)CC2)cc1 ZINC001256153225 1041590728 /nfs/dbraw/zinc/59/07/28/1041590728.db2.gz VFGAQLKHSCYGRW-GOSISDBHSA-N 2 2 396.531 3.667 20 0 GHADLP COc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc(OCc2ccccc2)c1OC ZINC001236217223 1041627804 /nfs/dbraw/zinc/62/78/04/1041627804.db2.gz OFEUPZKAVJJXBI-UXHICEINSA-N 2 2 384.520 3.985 20 0 GHADLP COc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc(OCc2ccccc2)c1OC ZINC001236217223 1041627809 /nfs/dbraw/zinc/62/78/09/1041627809.db2.gz OFEUPZKAVJJXBI-UXHICEINSA-N 2 2 384.520 3.985 20 0 GHADLP C[N@H+](Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220086 1041628986 /nfs/dbraw/zinc/62/89/86/1041628986.db2.gz YIELPWOUXSXBFD-NOZRDPDXSA-N 3 2 392.591 3.711 20 0 GHADLP C[N@@H+](Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220086 1041628987 /nfs/dbraw/zinc/62/89/87/1041628987.db2.gz YIELPWOUXSXBFD-NOZRDPDXSA-N 3 2 392.591 3.711 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1 ZINC001256202295 1041646961 /nfs/dbraw/zinc/64/69/61/1041646961.db2.gz CHUXAQWTDDGSEG-UHFFFAOYSA-N 2 2 376.850 3.736 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001236322320 1041671380 /nfs/dbraw/zinc/67/13/80/1041671380.db2.gz XFMKYBLMZBCOQB-SUMWQHHRSA-N 2 2 380.870 3.510 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001236322320 1041671383 /nfs/dbraw/zinc/67/13/83/1041671383.db2.gz XFMKYBLMZBCOQB-SUMWQHHRSA-N 2 2 380.870 3.510 20 0 GHADLP CCOC(=O)N1CCC([NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)CC1 ZINC001256240060 1041671902 /nfs/dbraw/zinc/67/19/02/1041671902.db2.gz BPQWIXKQSBLSMI-UHFFFAOYSA-N 2 2 394.475 3.614 20 0 GHADLP COC(=O)/C=C/c1ccc(C[N@H+](Cc2ccccc2F)C2CC[NH2+]CC2)cc1 ZINC001236368502 1041684226 /nfs/dbraw/zinc/68/42/26/1041684226.db2.gz CMNZRJZNTOTLHR-ZHACJKMWSA-N 2 2 382.479 3.766 20 0 GHADLP COC(=O)/C=C/c1ccc(C[N@@H+](Cc2ccccc2F)C2CC[NH2+]CC2)cc1 ZINC001236368502 1041684227 /nfs/dbraw/zinc/68/42/27/1041684227.db2.gz CMNZRJZNTOTLHR-ZHACJKMWSA-N 2 2 382.479 3.766 20 0 GHADLP CC(C)(C)OC(=O)N1CCC([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001256294978 1041688263 /nfs/dbraw/zinc/68/82/63/1041688263.db2.gz KLTURRPJXMSHNP-UHFFFAOYSA-N 2 2 399.579 3.909 20 0 GHADLP CC(C)(C)OC(=O)N1CCC([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001256294978 1041688268 /nfs/dbraw/zinc/68/82/68/1041688268.db2.gz KLTURRPJXMSHNP-UHFFFAOYSA-N 2 2 399.579 3.909 20 0 GHADLP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(F)c(F)c1Cl)CC2 ZINC001278935817 1041720574 /nfs/dbraw/zinc/72/05/74/1041720574.db2.gz QRFQKTLASQBLNC-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(F)c(F)c1Cl)CC2 ZINC001278935817 1041720582 /nfs/dbraw/zinc/72/05/82/1041720582.db2.gz QRFQKTLASQBLNC-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP COC(=O)c1cccc(C[N@H+](Cc2ccccc2SC)C2CC[NH2+]CC2)c1 ZINC001236467855 1041729114 /nfs/dbraw/zinc/72/91/14/1041729114.db2.gz YMOPHQCYWSGZSV-UHFFFAOYSA-N 2 2 384.545 3.949 20 0 GHADLP COC(=O)c1cccc(C[N@@H+](Cc2ccccc2SC)C2CC[NH2+]CC2)c1 ZINC001236467855 1041729122 /nfs/dbraw/zinc/72/91/22/1041729122.db2.gz YMOPHQCYWSGZSV-UHFFFAOYSA-N 2 2 384.545 3.949 20 0 GHADLP COc1ccc(C[N@H+](Cc2ccc(F)c(OC)c2)C2CC[NH2+]CC2)cc1F ZINC001236514559 1041748027 /nfs/dbraw/zinc/74/80/27/1041748027.db2.gz CWOXUGHFXDGQKR-UHFFFAOYSA-N 2 2 376.447 3.736 20 0 GHADLP COc1ccc(C[N@@H+](Cc2ccc(F)c(OC)c2)C2CC[NH2+]CC2)cc1F ZINC001236514559 1041748037 /nfs/dbraw/zinc/74/80/37/1041748037.db2.gz CWOXUGHFXDGQKR-UHFFFAOYSA-N 2 2 376.447 3.736 20 0 GHADLP COc1ccc(Br)c(OC)c1C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236649816 1041802412 /nfs/dbraw/zinc/80/24/12/1041802412.db2.gz ZYLDBXPRQSTZCZ-UHFFFAOYSA-N 2 2 383.330 3.573 20 0 GHADLP COc1ccc(Br)c(OC)c1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236649816 1041802418 /nfs/dbraw/zinc/80/24/18/1041802418.db2.gz ZYLDBXPRQSTZCZ-UHFFFAOYSA-N 2 2 383.330 3.573 20 0 GHADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Br)cc(OC(F)(F)F)c3)C[C@@H]12 ZINC001236826309 1041918409 /nfs/dbraw/zinc/91/84/09/1041918409.db2.gz BSEXCXAULIOWMN-LERXQTSPSA-N 2 2 379.220 3.517 20 0 GHADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Br)cc(OC(F)(F)F)c3)C[C@@H]12 ZINC001236826309 1041918412 /nfs/dbraw/zinc/91/84/12/1041918412.db2.gz BSEXCXAULIOWMN-LERXQTSPSA-N 2 2 379.220 3.517 20 0 GHADLP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236828273 1041920033 /nfs/dbraw/zinc/92/00/33/1041920033.db2.gz HRUBZZPTSFWZOU-NURSFMCSSA-N 2 2 382.348 3.902 20 0 GHADLP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236828273 1041920034 /nfs/dbraw/zinc/92/00/34/1041920034.db2.gz HRUBZZPTSFWZOU-NURSFMCSSA-N 2 2 382.348 3.902 20 0 GHADLP CCC[N@@H+](Cc1cc(OC(F)F)ccc1Br)C[C@H]1CC[NH2+]C1 ZINC001236844137 1041925724 /nfs/dbraw/zinc/92/57/24/1041925724.db2.gz TXTMOGRYIUVBND-LBPRGKRZSA-N 2 2 377.273 3.872 20 0 GHADLP CCC[N@H+](Cc1cc(OC(F)F)ccc1Br)C[C@H]1CC[NH2+]C1 ZINC001236844137 1041925725 /nfs/dbraw/zinc/92/57/25/1041925725.db2.gz TXTMOGRYIUVBND-LBPRGKRZSA-N 2 2 377.273 3.872 20 0 GHADLP CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)CC[C@@H]21 ZINC001236916472 1041956325 /nfs/dbraw/zinc/95/63/25/1041956325.db2.gz DOMNOMCXRXLQCJ-XLIONFOSSA-N 2 2 386.927 3.605 20 0 GHADLP CC(C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)CC[C@@H]21 ZINC001236916472 1041956330 /nfs/dbraw/zinc/95/63/30/1041956330.db2.gz DOMNOMCXRXLQCJ-XLIONFOSSA-N 2 2 386.927 3.605 20 0 GHADLP O=C1N(CC2CC2)CC[C@@]12CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236919798 1041958648 /nfs/dbraw/zinc/95/86/48/1041958648.db2.gz YJZKSXBWNBALBU-JOCHJYFZSA-N 2 2 398.938 3.750 20 0 GHADLP O=C1N(CC2CC2)CC[C@@]12CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236919798 1041958650 /nfs/dbraw/zinc/95/86/50/1041958650.db2.gz YJZKSXBWNBALBU-JOCHJYFZSA-N 2 2 398.938 3.750 20 0 GHADLP O=C([C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1)N1CCCCC1 ZINC001236921684 1041959983 /nfs/dbraw/zinc/95/99/83/1041959983.db2.gz LRLABYGBEFGTRM-SFHVURJKSA-N 2 2 386.927 3.750 20 0 GHADLP O=C([C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1)N1CCCCC1 ZINC001236921684 1041959985 /nfs/dbraw/zinc/95/99/85/1041959985.db2.gz LRLABYGBEFGTRM-SFHVURJKSA-N 2 2 386.927 3.750 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)cc(OCc2ccccc2)c1OC ZINC001237080735 1042026421 /nfs/dbraw/zinc/02/64/21/1042026421.db2.gz IIPAFLCYNMWSFR-HSZRJFAPSA-N 2 2 384.520 3.844 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc(OCc2ccccc2)c1OC ZINC001237080735 1042026426 /nfs/dbraw/zinc/02/64/26/1042026426.db2.gz IIPAFLCYNMWSFR-HSZRJFAPSA-N 2 2 384.520 3.844 20 0 GHADLP Fc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1I ZINC001237156506 1042068707 /nfs/dbraw/zinc/06/87/07/1042068707.db2.gz WUSIXJXVSKHRQR-AWEZNQCLSA-N 2 2 388.268 3.537 20 0 GHADLP Fc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1I ZINC001237156506 1042068714 /nfs/dbraw/zinc/06/87/14/1042068714.db2.gz WUSIXJXVSKHRQR-AWEZNQCLSA-N 2 2 388.268 3.537 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2c(Cl)[nH]c4cnccc42)CC3)n1 ZINC001237455657 1042215357 /nfs/dbraw/zinc/21/53/57/1042215357.db2.gz VSKZSSROCSVCMH-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2c(Cl)[nH]c4cnccc42)CC3)n1 ZINC001237455657 1042215360 /nfs/dbraw/zinc/21/53/60/1042215360.db2.gz VSKZSSROCSVCMH-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccc4c(F)cccc34)C2)C1 ZINC001237512866 1042244423 /nfs/dbraw/zinc/24/44/23/1042244423.db2.gz GDZARBXTJBZSJY-QHCPKHFHSA-N 2 2 386.511 3.540 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccc4c(F)cccc34)C2)C1 ZINC001237512866 1042244426 /nfs/dbraw/zinc/24/44/26/1042244426.db2.gz GDZARBXTJBZSJY-QHCPKHFHSA-N 2 2 386.511 3.540 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cccc4c(F)cccc34)C2)C1 ZINC001237512866 1042244428 /nfs/dbraw/zinc/24/44/28/1042244428.db2.gz GDZARBXTJBZSJY-QHCPKHFHSA-N 2 2 386.511 3.540 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cccc4c(F)cccc34)C2)C1 ZINC001237512866 1042244432 /nfs/dbraw/zinc/24/44/32/1042244432.db2.gz GDZARBXTJBZSJY-QHCPKHFHSA-N 2 2 386.511 3.540 20 0 GHADLP CC(C)(C)OC(=O)NCC[N@H+](Cc1ccccc1)Cc1cccc2c[nH+]cn21 ZINC001238115587 1042496198 /nfs/dbraw/zinc/49/61/98/1042496198.db2.gz JQYYAQKDXXLWLJ-UHFFFAOYSA-N 2 2 380.492 3.861 20 0 GHADLP CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccccc1)Cc1cccc2c[nH+]cn21 ZINC001238115587 1042496200 /nfs/dbraw/zinc/49/62/00/1042496200.db2.gz JQYYAQKDXXLWLJ-UHFFFAOYSA-N 2 2 380.492 3.861 20 0 GHADLP FC(F)(F)Oc1cccc(Br)c1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001238296886 1042546477 /nfs/dbraw/zinc/54/64/77/1042546477.db2.gz OWQOFNLEHGHGSB-UHFFFAOYSA-N 2 2 390.203 3.603 20 0 GHADLP FC(F)(F)Oc1cccc(Br)c1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001238296886 1042546480 /nfs/dbraw/zinc/54/64/80/1042546480.db2.gz OWQOFNLEHGHGSB-UHFFFAOYSA-N 2 2 390.203 3.603 20 0 GHADLP COCC[N@H+](Cc1cc(Cl)c(Br)cc1C)C1CC[NH+](C)CC1 ZINC001238580385 1042646408 /nfs/dbraw/zinc/64/64/08/1042646408.db2.gz CIDXFKLITZNGGD-UHFFFAOYSA-N 2 2 389.765 3.954 20 0 GHADLP COCC[N@@H+](Cc1cc(Cl)c(Br)cc1C)C1CC[NH+](C)CC1 ZINC001238580385 1042646413 /nfs/dbraw/zinc/64/64/13/1042646413.db2.gz CIDXFKLITZNGGD-UHFFFAOYSA-N 2 2 389.765 3.954 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)cc(SC)c3)CC2)C1 ZINC001238676803 1042680611 /nfs/dbraw/zinc/68/06/11/1042680611.db2.gz FCCKRDOVYMFFLT-LJQANCHMSA-N 2 2 390.593 3.956 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)cc(SC)c3)CC2)C1 ZINC001238676803 1042680613 /nfs/dbraw/zinc/68/06/13/1042680613.db2.gz FCCKRDOVYMFFLT-LJQANCHMSA-N 2 2 390.593 3.956 20 0 GHADLP Fc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc(N2CCCC2)c1 ZINC001238707935 1042694597 /nfs/dbraw/zinc/69/45/97/1042694597.db2.gz RWOMCDPTFLANKV-VXKWHMMOSA-N 2 2 379.523 3.990 20 0 GHADLP CC(C)(C)OC(=O)N1CC(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001462666394 1070456192 /nfs/dbraw/zinc/45/61/92/1070456192.db2.gz JZZWYZMBILCFSD-QGZVFWFLSA-N 2 2 376.545 3.684 20 0 GHADLP CC(C)(C)OC(=O)N1CC(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001462666394 1070456198 /nfs/dbraw/zinc/45/61/98/1070456198.db2.gz JZZWYZMBILCFSD-QGZVFWFLSA-N 2 2 376.545 3.684 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)cc1 ZINC001256534399 1043468951 /nfs/dbraw/zinc/46/89/51/1043468951.db2.gz QSBHATVWAPRRHB-ZTCOLXNVSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)cc1 ZINC001256534399 1043468973 /nfs/dbraw/zinc/46/89/73/1043468973.db2.gz QSBHATVWAPRRHB-ZTCOLXNVSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)cc1 ZINC001256534399 1043468985 /nfs/dbraw/zinc/46/89/85/1043468985.db2.gz QSBHATVWAPRRHB-ZTCOLXNVSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)cc1 ZINC001256534399 1043469018 /nfs/dbraw/zinc/46/90/18/1043469018.db2.gz QSBHATVWAPRRHB-ZTCOLXNVSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)cc1 ZINC001256534391 1043470568 /nfs/dbraw/zinc/47/05/68/1043470568.db2.gz QSBHATVWAPRRHB-HUVFLSCGSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)cc1 ZINC001256534391 1043470578 /nfs/dbraw/zinc/47/05/78/1043470578.db2.gz QSBHATVWAPRRHB-HUVFLSCGSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)cc1 ZINC001256534391 1043470586 /nfs/dbraw/zinc/47/05/86/1043470586.db2.gz QSBHATVWAPRRHB-HUVFLSCGSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)cc1 ZINC001256534391 1043470607 /nfs/dbraw/zinc/47/06/07/1043470607.db2.gz QSBHATVWAPRRHB-HUVFLSCGSA-N 2 2 393.575 3.912 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256541243 1043491730 /nfs/dbraw/zinc/49/17/30/1043491730.db2.gz IMPCRDUQUXBUFO-TZIWHRDSSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256541243 1043491733 /nfs/dbraw/zinc/49/17/33/1043491733.db2.gz IMPCRDUQUXBUFO-TZIWHRDSSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC001256541243 1043491740 /nfs/dbraw/zinc/49/17/40/1043491740.db2.gz IMPCRDUQUXBUFO-TZIWHRDSSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@@H]1C[C@H]([N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC001256541243 1043491742 /nfs/dbraw/zinc/49/17/42/1043491742.db2.gz IMPCRDUQUXBUFO-TZIWHRDSSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256545845 1043503922 /nfs/dbraw/zinc/50/39/22/1043503922.db2.gz VNPKMBSDVYGTRW-VLZGJKPMSA-N 2 2 384.564 3.698 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256545845 1043503939 /nfs/dbraw/zinc/50/39/39/1043503939.db2.gz VNPKMBSDVYGTRW-VLZGJKPMSA-N 2 2 384.564 3.698 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)CC[NH+]1Cc1ccccc1 ZINC001256545845 1043503955 /nfs/dbraw/zinc/50/39/55/1043503955.db2.gz VNPKMBSDVYGTRW-VLZGJKPMSA-N 2 2 384.564 3.698 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)CC[NH+]1Cc1ccccc1 ZINC001256545845 1043503966 /nfs/dbraw/zinc/50/39/66/1043503966.db2.gz VNPKMBSDVYGTRW-VLZGJKPMSA-N 2 2 384.564 3.698 20 0 GHADLP CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2C1CC[NH+](Cc2ccccc2)CC1 ZINC001256605958 1043569552 /nfs/dbraw/zinc/56/95/52/1043569552.db2.gz NQHOARPQDJIFOU-UHFFFAOYSA-N 2 2 385.552 3.640 20 0 GHADLP CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2C1CC[NH+](Cc2ccccc2)CC1 ZINC001256605958 1043569558 /nfs/dbraw/zinc/56/95/58/1043569558.db2.gz NQHOARPQDJIFOU-UHFFFAOYSA-N 2 2 385.552 3.640 20 0 GHADLP COc1cccc2c1CC[C@H]([N@@H+]1CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]1C)C2 ZINC001256651432 1043595963 /nfs/dbraw/zinc/59/59/63/1043595963.db2.gz MJTLBBMPFKQTEY-HKUYNNGSSA-N 2 2 382.552 3.666 20 0 GHADLP COc1cccc2c1CC[C@H]([N@H+]1CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]1C)C2 ZINC001256651432 1043595968 /nfs/dbraw/zinc/59/59/68/1043595968.db2.gz MJTLBBMPFKQTEY-HKUYNNGSSA-N 2 2 382.552 3.666 20 0 GHADLP COc1cccc2c1CC[C@H]([NH+]1CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]1C)C2 ZINC001256651432 1043595976 /nfs/dbraw/zinc/59/59/76/1043595976.db2.gz MJTLBBMPFKQTEY-HKUYNNGSSA-N 2 2 382.552 3.666 20 0 GHADLP COc1cccc2c1CC[C@H]([NH+]1CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]1C)C2 ZINC001256651432 1043595982 /nfs/dbraw/zinc/59/59/82/1043595982.db2.gz MJTLBBMPFKQTEY-HKUYNNGSSA-N 2 2 382.552 3.666 20 0 GHADLP COCC[N@H+](C)[C@@H](CN[C@H]1CCC[NH+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC001256910770 1043737550 /nfs/dbraw/zinc/73/75/50/1043737550.db2.gz DVJGREZIUNMMKI-UNMCSNQZSA-N 2 2 394.003 3.956 20 0 GHADLP COCC[N@@H+](C)[C@@H](CN[C@H]1CCC[NH+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC001256910770 1043737566 /nfs/dbraw/zinc/73/75/66/1043737566.db2.gz DVJGREZIUNMMKI-UNMCSNQZSA-N 2 2 394.003 3.956 20 0 GHADLP COCC[NH+](C)[C@@H](CN[C@H]1CCC[N@@H+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC001256910770 1043737581 /nfs/dbraw/zinc/73/75/81/1043737581.db2.gz DVJGREZIUNMMKI-UNMCSNQZSA-N 2 2 394.003 3.956 20 0 GHADLP COCC[NH+](C)[C@@H](CN[C@H]1CCC[N@H+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC001256910770 1043737591 /nfs/dbraw/zinc/73/75/91/1043737591.db2.gz DVJGREZIUNMMKI-UNMCSNQZSA-N 2 2 394.003 3.956 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)C1 ZINC001257037595 1043812908 /nfs/dbraw/zinc/81/29/08/1043812908.db2.gz CDFPOZYDQSRVBK-HUUCEWRRSA-N 2 2 384.442 3.687 20 0 GHADLP Cc1[nH+]cn(C2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)c1CSCC[NH3+] ZINC001257751160 1044140507 /nfs/dbraw/zinc/14/05/07/1044140507.db2.gz GNZIBWFYAVNNDG-UHFFFAOYSA-N 2 2 394.585 3.736 20 0 GHADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257822883 1044204773 /nfs/dbraw/zinc/20/47/73/1044204773.db2.gz RAKQAKLOMARHIM-KNQAVFIVSA-N 2 2 379.589 3.972 20 0 GHADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257822883 1044204782 /nfs/dbraw/zinc/20/47/82/1044204782.db2.gz RAKQAKLOMARHIM-KNQAVFIVSA-N 2 2 379.589 3.972 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCC(c5ccccc5)CC4)C[C@@H]3C2)cn1 ZINC001257997728 1044326992 /nfs/dbraw/zinc/32/69/92/1044326992.db2.gz IIPIJBAFPWQWCW-SPXLFKILSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C4CCC(c5ccccc5)CC4)C[C@@H]3C2)cn1 ZINC001257997728 1044327006 /nfs/dbraw/zinc/32/70/06/1044327006.db2.gz IIPIJBAFPWQWCW-SPXLFKILSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCC(c5ccccc5)CC4)C[C@@H]3C2)cn1 ZINC001257997728 1044327010 /nfs/dbraw/zinc/32/70/10/1044327010.db2.gz IIPIJBAFPWQWCW-SPXLFKILSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C4CCC(c5ccccc5)CC4)C[C@@H]3C2)cn1 ZINC001257997728 1044327027 /nfs/dbraw/zinc/32/70/27/1044327027.db2.gz IIPIJBAFPWQWCW-SPXLFKILSA-N 2 2 378.564 3.900 20 0 GHADLP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001258014955 1044340618 /nfs/dbraw/zinc/34/06/18/1044340618.db2.gz OSKDBTUZABTVHB-OAQYLSRUSA-N 2 2 375.582 3.687 20 0 GHADLP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001258014955 1044340630 /nfs/dbraw/zinc/34/06/30/1044340630.db2.gz OSKDBTUZABTVHB-OAQYLSRUSA-N 2 2 375.582 3.687 20 0 GHADLP CC(C)C[NH+]1CCC([NH+]2CCN(c3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC001258019716 1044345468 /nfs/dbraw/zinc/34/54/68/1044345468.db2.gz FZWZINNONCOWOR-UHFFFAOYSA-N 2 2 385.474 3.828 20 0 GHADLP CCOc1ccccc1N1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258141003 1044427002 /nfs/dbraw/zinc/42/70/02/1044427002.db2.gz QYYHPFDCRJLWDQ-UHFFFAOYSA-N 2 2 393.575 3.914 20 0 GHADLP C[C@@](O)(C1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1)C(F)(F)F ZINC001258147691 1044437243 /nfs/dbraw/zinc/43/72/43/1044437243.db2.gz OTVAKHQEOZFTFJ-HXUWFJFHSA-N 2 2 384.486 3.719 20 0 GHADLP COc1ccc(CC[C@H](C)[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc1 ZINC001258401254 1044538284 /nfs/dbraw/zinc/53/82/84/1044538284.db2.gz NKQOJGWVFZVGIL-FQEVSTJZSA-N 2 2 398.547 3.976 20 0 GHADLP COc1ccc(CC[C@H](C)[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc1 ZINC001258401254 1044538294 /nfs/dbraw/zinc/53/82/94/1044538294.db2.gz NKQOJGWVFZVGIL-FQEVSTJZSA-N 2 2 398.547 3.976 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1CCN(c3cccc(F)c3)CC1)[C@@H]2C ZINC001258424333 1044558358 /nfs/dbraw/zinc/55/83/58/1044558358.db2.gz XTEDHLPZOGHHGZ-GOSISDBHSA-N 2 2 399.558 3.908 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CCN(c3cccc(F)c3)CC1)[C@@H]2C ZINC001258424333 1044558366 /nfs/dbraw/zinc/55/83/66/1044558366.db2.gz XTEDHLPZOGHHGZ-GOSISDBHSA-N 2 2 399.558 3.908 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C1CCN(c3cccc(F)c3)CC1)[C@@H]2C ZINC001258424333 1044558378 /nfs/dbraw/zinc/55/83/78/1044558378.db2.gz XTEDHLPZOGHHGZ-GOSISDBHSA-N 2 2 399.558 3.908 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1CCN(c3cccc(F)c3)CC1)[C@@H]2C ZINC001258424333 1044558389 /nfs/dbraw/zinc/55/83/89/1044558389.db2.gz XTEDHLPZOGHHGZ-GOSISDBHSA-N 2 2 399.558 3.908 20 0 GHADLP CCC[NH+]1CCC([N@@H+]2CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)CC1 ZINC001258775045 1044759575 /nfs/dbraw/zinc/75/95/75/1044759575.db2.gz XYTMSNRRYVWPEZ-HSZRJFAPSA-N 2 2 387.543 3.515 20 0 GHADLP CCC[NH+]1CCC([N@H+]2CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)CC1 ZINC001258775045 1044759585 /nfs/dbraw/zinc/75/95/85/1044759585.db2.gz XYTMSNRRYVWPEZ-HSZRJFAPSA-N 2 2 387.543 3.515 20 0 GHADLP CCC[NH+]1CCC([N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001258777302 1044761046 /nfs/dbraw/zinc/76/10/46/1044761046.db2.gz QHYVLNXKBPGXEH-UHFFFAOYSA-N 2 2 375.557 3.888 20 0 GHADLP CCC[NH+]1CCC([N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001258777302 1044761060 /nfs/dbraw/zinc/76/10/60/1044761060.db2.gz QHYVLNXKBPGXEH-UHFFFAOYSA-N 2 2 375.557 3.888 20 0 GHADLP COc1cc(C[C@@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc(OC)c1OC ZINC001258864436 1044805904 /nfs/dbraw/zinc/80/59/04/1044805904.db2.gz TWPFCXQJKKSIQG-BHIYHBOVSA-N 2 2 399.535 3.815 20 0 GHADLP CCCCCC[N@H+](C)CC(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001303313655 1047356992 /nfs/dbraw/zinc/35/69/92/1047356992.db2.gz OZBBJHVCYUFMDM-NRFANRHFSA-N 2 2 377.548 3.933 20 0 GHADLP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001303313655 1047357001 /nfs/dbraw/zinc/35/70/01/1047357001.db2.gz OZBBJHVCYUFMDM-NRFANRHFSA-N 2 2 377.548 3.933 20 0 GHADLP Clc1cnc(Cl)c(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)c1 ZINC001279707806 1047925939 /nfs/dbraw/zinc/92/59/39/1047925939.db2.gz GSYCRJVJSUYKHW-MSOLQXFVSA-N 2 2 380.323 3.836 20 0 GHADLP O=c1[nH]cc(Br)cc1C[N@@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001279710444 1047929208 /nfs/dbraw/zinc/92/92/08/1047929208.db2.gz DPKSQGYIVVNUEM-LJQANCHMSA-N 2 2 394.357 3.780 20 0 GHADLP O=c1[nH]cc(Br)cc1C[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001279710444 1047929212 /nfs/dbraw/zinc/92/92/12/1047929212.db2.gz DPKSQGYIVVNUEM-LJQANCHMSA-N 2 2 394.357 3.780 20 0 GHADLP O=c1[nH]cc(Br)cc1C[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001279710444 1047929214 /nfs/dbraw/zinc/92/92/14/1047929214.db2.gz DPKSQGYIVVNUEM-LJQANCHMSA-N 2 2 394.357 3.780 20 0 GHADLP O=c1[nH]cc(Br)cc1C[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001279710444 1047929218 /nfs/dbraw/zinc/92/92/18/1047929218.db2.gz DPKSQGYIVVNUEM-LJQANCHMSA-N 2 2 394.357 3.780 20 0 GHADLP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](CC(=O)c1cccs1)CC2 ZINC001280036491 1048057758 /nfs/dbraw/zinc/05/77/58/1048057758.db2.gz XQBSESOQAVWJFV-UHFFFAOYSA-N 2 2 375.563 3.684 20 0 GHADLP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](CC(=O)c1cccs1)CC2 ZINC001280036491 1048057770 /nfs/dbraw/zinc/05/77/70/1048057770.db2.gz XQBSESOQAVWJFV-UHFFFAOYSA-N 2 2 375.563 3.684 20 0 GHADLP Cc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(Br)c1 ZINC001307595214 1049433776 /nfs/dbraw/zinc/43/37/76/1049433776.db2.gz NMVSDHPAOMGRKK-UHFFFAOYSA-N 2 2 394.401 3.748 20 0 GHADLP C[N@H+](CCCOCc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001307717502 1049532533 /nfs/dbraw/zinc/53/25/33/1049532533.db2.gz SFYBWYKGBRYTHX-DEOSSOPVSA-N 2 2 382.548 3.816 20 0 GHADLP C[N@@H+](CCCOCc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001307717502 1049532547 /nfs/dbraw/zinc/53/25/47/1049532547.db2.gz SFYBWYKGBRYTHX-DEOSSOPVSA-N 2 2 382.548 3.816 20 0 GHADLP C[NH+](CCCOCc1ccccc1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001307717502 1049532563 /nfs/dbraw/zinc/53/25/63/1049532563.db2.gz SFYBWYKGBRYTHX-DEOSSOPVSA-N 2 2 382.548 3.816 20 0 GHADLP C[NH+](CCCOCc1ccccc1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001307717502 1049532580 /nfs/dbraw/zinc/53/25/80/1049532580.db2.gz SFYBWYKGBRYTHX-DEOSSOPVSA-N 2 2 382.548 3.816 20 0 GHADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1nc2ccccc2s1 ZINC001307760609 1049573913 /nfs/dbraw/zinc/57/39/13/1049573913.db2.gz LLYWWRRLZGLWMU-UHFFFAOYSA-N 2 2 380.561 3.546 20 0 GHADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1nc2ccccc2s1 ZINC001307760609 1049573927 /nfs/dbraw/zinc/57/39/27/1049573927.db2.gz LLYWWRRLZGLWMU-UHFFFAOYSA-N 2 2 380.561 3.546 20 0 GHADLP CC(C)C[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)n1cc[nH+]c1 ZINC001290341217 1049809184 /nfs/dbraw/zinc/80/91/84/1049809184.db2.gz PZYXVBIWTHMBKI-HXUWFJFHSA-N 2 2 388.943 3.905 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)c1ccc(C[NH+](C)C)o1)c1ccccc1Cl ZINC001290520888 1049868645 /nfs/dbraw/zinc/86/86/45/1049868645.db2.gz QSPVWMJLQUVAAM-GOSISDBHSA-N 2 2 377.916 3.808 20 0 GHADLP Cc1ccccc1C(=O)N1CCC([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC001308194682 1049908540 /nfs/dbraw/zinc/90/85/40/1049908540.db2.gz KKMQKNWDSGTODK-UHFFFAOYSA-N 2 2 388.515 3.634 20 0 GHADLP c1c(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)nnn1-c1ccccc1 ZINC001308230405 1049920555 /nfs/dbraw/zinc/92/05/55/1049920555.db2.gz ZDYBHLWJWRYTSG-UHFFFAOYSA-N 2 2 375.520 3.933 20 0 GHADLP Cc1ccccc1C(C)(C)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001308238950 1049923088 /nfs/dbraw/zinc/92/30/88/1049923088.db2.gz YXZPJTZNUXVMRZ-UHFFFAOYSA-N 2 2 382.548 3.773 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1cc2ccccc2o1 ZINC001308372221 1049961332 /nfs/dbraw/zinc/96/13/32/1049961332.db2.gz PTXAETUQKZUNNX-GOSISDBHSA-N 2 2 380.488 3.995 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)OC)cc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001308577329 1050016092 /nfs/dbraw/zinc/01/60/92/1050016092.db2.gz YANITMYMIBPKHP-IBGZPJMESA-N 2 2 384.495 3.956 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)OC)cc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001308577329 1050016098 /nfs/dbraw/zinc/01/60/98/1050016098.db2.gz YANITMYMIBPKHP-IBGZPJMESA-N 2 2 384.495 3.956 20 0 GHADLP CC[NH+](Cc1ccc(C(=O)OC)cc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001308577329 1050016104 /nfs/dbraw/zinc/01/61/04/1050016104.db2.gz YANITMYMIBPKHP-IBGZPJMESA-N 2 2 384.495 3.956 20 0 GHADLP CC[NH+](Cc1ccc(C(=O)OC)cc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308577329 1050016110 /nfs/dbraw/zinc/01/61/10/1050016110.db2.gz YANITMYMIBPKHP-IBGZPJMESA-N 2 2 384.495 3.956 20 0 GHADLP C[C@H]([NH2+]Cc1sc(N(C)C)nc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001308643694 1050045327 /nfs/dbraw/zinc/04/53/27/1050045327.db2.gz RLIACPKEGUCSGH-GOEBONIOSA-N 2 2 378.973 3.863 20 0 GHADLP C[C@H]([NH2+]Cc1sc(N(C)C)nc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308643694 1050045336 /nfs/dbraw/zinc/04/53/36/1050045336.db2.gz RLIACPKEGUCSGH-GOEBONIOSA-N 2 2 378.973 3.863 20 0 GHADLP C[C@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001308716100 1050069623 /nfs/dbraw/zinc/06/96/23/1050069623.db2.gz KRYCAOIZZAKHBJ-SFHVURJKSA-N 2 2 379.589 3.878 20 0 GHADLP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001308963882 1050225850 /nfs/dbraw/zinc/22/58/50/1050225850.db2.gz SEMLJYVQLGNXGI-ZNEWLNCYSA-N 2 2 391.559 3.692 20 0 GHADLP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001308963882 1050225864 /nfs/dbraw/zinc/22/58/64/1050225864.db2.gz SEMLJYVQLGNXGI-ZNEWLNCYSA-N 2 2 391.559 3.692 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001328561086 1050544738 /nfs/dbraw/zinc/54/47/38/1050544738.db2.gz AUGPHPGJICIATE-MRXNPFEDSA-N 2 2 394.523 3.898 20 0 GHADLP C[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001313050497 1052943672 /nfs/dbraw/zinc/94/36/72/1052943672.db2.gz ODGHEAOHPFQMEN-XMSQKQJNSA-N 2 2 389.503 3.507 20 0 GHADLP C[C@@H](NC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001313050497 1052943674 /nfs/dbraw/zinc/94/36/74/1052943674.db2.gz ODGHEAOHPFQMEN-XMSQKQJNSA-N 2 2 389.503 3.507 20 0 GHADLP CCOc1ccccc1[C@@H]([NH3+])CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC001343424919 1053764035 /nfs/dbraw/zinc/76/40/35/1053764035.db2.gz SOWBJTCTIPZCSZ-UTKZUKDTSA-N 2 2 397.519 3.507 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001319564020 1055324911 /nfs/dbraw/zinc/32/49/11/1055324911.db2.gz KMOMDNHIBHYRGV-UHFFFAOYSA-N 2 2 397.548 3.924 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nc(C)sc2C)CC1 ZINC001319925722 1055546150 /nfs/dbraw/zinc/54/61/50/1055546150.db2.gz OPWKDULGBVCKOH-AWEZNQCLSA-N 2 2 376.545 3.892 20 0 GHADLP C[C@H](c1nc([C@H]2C[NH+]3CCC2CC3)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001321123819 1056106861 /nfs/dbraw/zinc/10/68/61/1056106861.db2.gz MFBBFLMHLIYLCR-UTKZUKDTSA-N 2 2 380.536 3.895 20 0 GHADLP CCOCCCn1c2ccccc2[nH+]c1NCc1ccnn1-c1cc[nH+]cc1 ZINC001474761895 1056378053 /nfs/dbraw/zinc/37/80/53/1056378053.db2.gz FHIXUHIUTNHATA-UHFFFAOYSA-N 2 2 376.464 3.656 20 0 GHADLP C[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001322643820 1056782471 /nfs/dbraw/zinc/78/24/71/1056782471.db2.gz WIINRFSLZVWIDH-QWFCFKBJSA-N 2 2 390.572 3.527 20 0 GHADLP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001322643820 1056782482 /nfs/dbraw/zinc/78/24/82/1056782482.db2.gz WIINRFSLZVWIDH-QWFCFKBJSA-N 2 2 390.572 3.527 20 0 GHADLP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC001323422483 1056967972 /nfs/dbraw/zinc/96/79/72/1056967972.db2.gz RPQIGXOCDZIQRV-WOJBJXKFSA-N 2 2 394.401 3.876 20 0 GHADLP C[NH+]1CCN(c2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC001323786241 1057013272 /nfs/dbraw/zinc/01/32/72/1057013272.db2.gz UCJOPSWQKRNGKP-DEOSSOPVSA-N 2 2 390.506 3.852 20 0 GHADLP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001324049992 1057061037 /nfs/dbraw/zinc/06/10/37/1057061037.db2.gz VXLAMOWZZDVYPT-UXHICEINSA-N 2 2 381.524 3.881 20 0 GHADLP C[C@H](C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC001324472479 1057142505 /nfs/dbraw/zinc/14/25/05/1057142505.db2.gz KVZSJIIVMSNICT-NQIIRXRSSA-N 2 2 380.536 3.593 20 0 GHADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001325579469 1057342767 /nfs/dbraw/zinc/34/27/67/1057342767.db2.gz JRQRIGPNDIEJBN-WOIUINJBSA-N 2 2 392.632 3.553 20 0 GHADLP COC(=O)/C=C/c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000848911007 1057415730 /nfs/dbraw/zinc/41/57/30/1057415730.db2.gz PKZVCOIRHOTXKJ-ZUTVHTERSA-N 2 2 380.488 3.564 20 0 GHADLP COC(=O)/C=C/c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000848911007 1057415731 /nfs/dbraw/zinc/41/57/31/1057415731.db2.gz PKZVCOIRHOTXKJ-ZUTVHTERSA-N 2 2 380.488 3.564 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC000848911007 1057415732 /nfs/dbraw/zinc/41/57/32/1057415732.db2.gz PKZVCOIRHOTXKJ-ZUTVHTERSA-N 2 2 380.488 3.564 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC000848911007 1057415737 /nfs/dbraw/zinc/41/57/37/1057415737.db2.gz PKZVCOIRHOTXKJ-ZUTVHTERSA-N 2 2 380.488 3.564 20 0 GHADLP CN(C(=O)C1(c2ccccc2)CCCCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001443775590 1059202428 /nfs/dbraw/zinc/20/24/28/1059202428.db2.gz ARFCNZAMPFIRSC-QHCPKHFHSA-N 2 2 397.607 3.906 20 0 GHADLP CN(C(=O)C1(c2ccccc2)CCCCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001443775590 1059202437 /nfs/dbraw/zinc/20/24/37/1059202437.db2.gz ARFCNZAMPFIRSC-QHCPKHFHSA-N 2 2 397.607 3.906 20 0 GHADLP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCSc4ccc(F)cc43)c2)CC1 ZINC001340528850 1059964963 /nfs/dbraw/zinc/96/49/63/1059964963.db2.gz PSEMLDQEGBHQFR-OAQYLSRUSA-N 2 2 385.552 3.900 20 0 GHADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[NH+](C)C ZINC001447822706 1060044996 /nfs/dbraw/zinc/04/49/96/1060044996.db2.gz TZFNAZHLFZTGGT-FDDCHVKYSA-N 2 2 376.504 3.531 20 0 GHADLP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001448618361 1060229414 /nfs/dbraw/zinc/22/94/14/1060229414.db2.gz ATDFQWGOXVSRMG-UXHICEINSA-N 2 2 386.927 3.582 20 0 GHADLP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001448618361 1060229431 /nfs/dbraw/zinc/22/94/31/1060229431.db2.gz ATDFQWGOXVSRMG-UXHICEINSA-N 2 2 386.927 3.582 20 0 GHADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001341569945 1060751235 /nfs/dbraw/zinc/75/12/35/1060751235.db2.gz CRJCJCGMHYENMP-UHFFFAOYSA-N 2 2 392.425 3.757 20 0 GHADLP CC(C)C[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)n1cc[nH+]c1 ZINC001451894250 1060858095 /nfs/dbraw/zinc/85/80/95/1060858095.db2.gz ZNNBZJLJNQUPGC-HNNXBMFYSA-N 2 2 375.542 3.722 20 0 GHADLP CC(C)C[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)n1cc[nH+]c1 ZINC001451894250 1060858103 /nfs/dbraw/zinc/85/81/03/1060858103.db2.gz ZNNBZJLJNQUPGC-HNNXBMFYSA-N 2 2 375.542 3.722 20 0 GHADLP Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)cs1 ZINC001346113839 1061373855 /nfs/dbraw/zinc/37/38/55/1061373855.db2.gz QAJSARJZCNLGTF-LJQANCHMSA-N 2 2 398.576 3.505 20 0 GHADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(OC)c3)C2)cc1 ZINC001454465701 1061792977 /nfs/dbraw/zinc/79/29/77/1061792977.db2.gz FNZPACXCNBXNHP-HSZRJFAPSA-N 2 2 395.547 3.714 20 0 GHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(OC)c3)C2)cc1 ZINC001454465701 1061792994 /nfs/dbraw/zinc/79/29/94/1061792994.db2.gz FNZPACXCNBXNHP-HSZRJFAPSA-N 2 2 395.547 3.714 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)CCC4)CC2)cc1 ZINC001347812473 1062689489 /nfs/dbraw/zinc/68/94/89/1062689489.db2.gz CKKVSDIHWBZNAE-UHFFFAOYSA-N 2 2 377.532 3.888 20 0 GHADLP c1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4cccc(C[NH+]5CCOCC5)c4)C3)nc2c1 ZINC001348620310 1063241050 /nfs/dbraw/zinc/24/10/50/1063241050.db2.gz HPMUHHJRJXVXPO-OAQYLSRUSA-N 2 2 390.531 3.775 20 0 GHADLP c1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4cccc(C[NH+]5CCOCC5)c4)C3)nc2c1 ZINC001348620310 1063241074 /nfs/dbraw/zinc/24/10/74/1063241074.db2.gz HPMUHHJRJXVXPO-OAQYLSRUSA-N 2 2 390.531 3.775 20 0 GHADLP CC(C)(CNC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001348763931 1063312440 /nfs/dbraw/zinc/31/24/40/1063312440.db2.gz XSOZEYMUQYCQQQ-GOSISDBHSA-N 2 2 389.588 3.649 20 0 GHADLP Oc1ccc(Br)c(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC001200095708 1065203785 /nfs/dbraw/zinc/20/37/85/1065203785.db2.gz MILCWRNYEXXGJP-KRWDZBQOSA-N 2 2 389.337 3.809 20 0 GHADLP Oc1ccc(Br)c(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC001200095708 1065203793 /nfs/dbraw/zinc/20/37/93/1065203793.db2.gz MILCWRNYEXXGJP-KRWDZBQOSA-N 2 2 389.337 3.809 20 0 GHADLP CC[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC[N@@H+]1Cc1ccccc1 ZINC001466752532 1066294889 /nfs/dbraw/zinc/29/48/89/1066294889.db2.gz GBPACAREQRGKGP-HXUWFJFHSA-N 2 2 381.520 3.612 20 0 GHADLP CC[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC[N@H+]1Cc1ccccc1 ZINC001466752532 1066294892 /nfs/dbraw/zinc/29/48/92/1066294892.db2.gz GBPACAREQRGKGP-HXUWFJFHSA-N 2 2 381.520 3.612 20 0 GHADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001477594681 1078481486 /nfs/dbraw/zinc/48/14/86/1078481486.db2.gz JKNRWHNIZMHASP-QYZOEREBSA-N 2 2 389.588 3.648 20 0 GHADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001477594681 1078481492 /nfs/dbraw/zinc/48/14/92/1078481492.db2.gz JKNRWHNIZMHASP-QYZOEREBSA-N 2 2 389.588 3.648 20 0 GHADLP C[C@H]1CN(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001467372627 1067258045 /nfs/dbraw/zinc/25/80/45/1067258045.db2.gz ILPVHGVXDNENFD-IBGZPJMESA-N 2 2 393.535 3.810 20 0 GHADLP C[C@H]1CN(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001467372627 1067258059 /nfs/dbraw/zinc/25/80/59/1067258059.db2.gz ILPVHGVXDNENFD-IBGZPJMESA-N 2 2 393.535 3.810 20 0 GHADLP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)cc1OC ZINC000849113265 1067734740 /nfs/dbraw/zinc/73/47/40/1067734740.db2.gz PUBOOUGQAUAUMN-KRWDZBQOSA-N 2 2 388.537 3.665 20 0 GHADLP CCNc1cc(CNC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)cc[nH+]1 ZINC001468830230 1067902991 /nfs/dbraw/zinc/90/29/91/1067902991.db2.gz GUTFIJCNUKRSTP-SFHVURJKSA-N 2 2 395.551 3.976 20 0 GHADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@@H]2CC[C@@H](C3CC3)O2)o1 ZINC001460086950 1068773185 /nfs/dbraw/zinc/77/31/85/1068773185.db2.gz VDFSNWVBYOSLMG-RDJZCZTQSA-N 2 2 394.313 3.698 20 0 GHADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@@H]2CC[C@@H](C3CC3)O2)o1 ZINC001460086950 1068773191 /nfs/dbraw/zinc/77/31/91/1068773191.db2.gz VDFSNWVBYOSLMG-RDJZCZTQSA-N 2 2 394.313 3.698 20 0 GHADLP CCC1([NH+]2CCCC2)CC[NH+](CCCC(=O)Nc2ccccc2C(C)=O)CC1 ZINC001460581539 1069009169 /nfs/dbraw/zinc/00/91/69/1069009169.db2.gz WYPZKXPMKAJLSQ-UHFFFAOYSA-N 2 2 385.552 3.948 20 0 GHADLP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001470636711 1072661248 /nfs/dbraw/zinc/66/12/48/1072661248.db2.gz WTMYBQJMZVRXPD-NRFANRHFSA-N 2 2 383.923 3.723 20 0 GHADLP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@@H](c3ccc(Cl)cc3)[NH+](C)C)C2)c1 ZINC001470713840 1072701044 /nfs/dbraw/zinc/70/10/44/1072701044.db2.gz TXNHMQOTQPVVMK-LEWJYISDSA-N 2 2 385.939 3.642 20 0 GHADLP Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](c3ccc(Cl)cc3)[NH+](C)C)C2)c1 ZINC001470713840 1072701050 /nfs/dbraw/zinc/70/10/50/1072701050.db2.gz TXNHMQOTQPVVMK-LEWJYISDSA-N 2 2 385.939 3.642 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@@H+]3CCC[C@@H](OCC4CC4)C3)CC2)cc1 ZINC001473408753 1073953510 /nfs/dbraw/zinc/95/35/10/1073953510.db2.gz HSXZDSHNMRUJMN-JOCHJYFZSA-N 2 2 391.987 3.743 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@H+]3CCC[C@@H](OCC4CC4)C3)CC2)cc1 ZINC001473408753 1073953512 /nfs/dbraw/zinc/95/35/12/1073953512.db2.gz HSXZDSHNMRUJMN-JOCHJYFZSA-N 2 2 391.987 3.743 20 0 GHADLP O[C@]1(C[NH+]2CCC(c3cccc(F)c3F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001473583985 1074031597 /nfs/dbraw/zinc/03/15/97/1074031597.db2.gz NTSYQQJFRAKCQO-QHCPKHFHSA-N 2 2 386.486 3.781 20 0 GHADLP O[C@]1(C[NH+]2CCC(c3cccc(F)c3F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001473583985 1074031602 /nfs/dbraw/zinc/03/16/02/1074031602.db2.gz NTSYQQJFRAKCQO-QHCPKHFHSA-N 2 2 386.486 3.781 20 0 GHADLP Cc1cccc2nc(C[NH2+]Cc3ccc(OCCn4cc[nH+]c4)c(Cl)c3)cn21 ZINC001473996865 1074229704 /nfs/dbraw/zinc/22/97/04/1074229704.db2.gz BUWLJQIORLUYBA-UHFFFAOYSA-N 2 2 395.894 3.861 20 0 GHADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)C1 ZINC001474103297 1074264890 /nfs/dbraw/zinc/26/48/90/1074264890.db2.gz RKCKCCKGIATFFO-IBGZPJMESA-N 2 2 382.838 3.567 20 0 GHADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)C1 ZINC001474103297 1074264893 /nfs/dbraw/zinc/26/48/93/1074264893.db2.gz RKCKCCKGIATFFO-IBGZPJMESA-N 2 2 382.838 3.567 20 0 GHADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC001474716605 1074531009 /nfs/dbraw/zinc/53/10/09/1074531009.db2.gz QORUIIUJLVGWEM-MISYRCLQSA-N 2 2 390.572 3.842 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824545253 609147867 /nfs/dbraw/zinc/14/78/67/609147867.db2.gz BSPLJVSTSDIYTO-BXWFABGCSA-N 2 2 394.498 3.710 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824545253 609147869 /nfs/dbraw/zinc/14/78/69/609147869.db2.gz BSPLJVSTSDIYTO-BXWFABGCSA-N 2 2 394.498 3.710 20 0 GHADLP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824585043 609148141 /nfs/dbraw/zinc/14/81/41/609148141.db2.gz MHCQYHBQKPFGBK-JKSUJKDBSA-N 2 2 382.487 3.567 20 0 GHADLP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824585043 609148143 /nfs/dbraw/zinc/14/81/43/609148143.db2.gz MHCQYHBQKPFGBK-JKSUJKDBSA-N 2 2 382.487 3.567 20 0 GHADLP Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(C)c(C)[nH+]1 ZINC001164913962 721729871 /nfs/dbraw/zinc/72/98/71/721729871.db2.gz ZRJVNAKURZXMGL-HXUWFJFHSA-N 2 2 387.478 3.535 20 0 GHADLP Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(C)c(C)[nH+]1 ZINC001164913962 721729877 /nfs/dbraw/zinc/72/98/77/721729877.db2.gz ZRJVNAKURZXMGL-HXUWFJFHSA-N 2 2 387.478 3.535 20 0 GHADLP CC(C)(C)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]c1 ZINC001164973830 722157286 /nfs/dbraw/zinc/15/72/86/722157286.db2.gz MOUIDRHGMQQHKO-FPOVZHCZSA-N 2 2 380.536 3.501 20 0 GHADLP CC(C)(C)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]c1 ZINC001164973830 722157289 /nfs/dbraw/zinc/15/72/89/722157289.db2.gz MOUIDRHGMQQHKO-FPOVZHCZSA-N 2 2 380.536 3.501 20 0 GHADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000431787102 837497164 /nfs/dbraw/zinc/49/71/64/837497164.db2.gz GFPPUCBEMJRHTM-UXHICEINSA-N 2 2 383.540 3.572 20 0 GHADLP Clc1cccc([C@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)[NH+]2CCCC2)c1 ZINC000655688813 837610228 /nfs/dbraw/zinc/61/02/28/837610228.db2.gz JPLJKNYNDUBITE-YADHBBJMSA-N 2 2 391.987 3.710 20 0 GHADLP Clc1cccc([C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)N2CCCC2)c1 ZINC000655688813 837610230 /nfs/dbraw/zinc/61/02/30/837610230.db2.gz JPLJKNYNDUBITE-YADHBBJMSA-N 2 2 391.987 3.710 20 0 GHADLP Clc1cccc([C@@H](CNC2CC[NH+](C[C@@H]3CCCO3)CC2)[NH+]2CCCC2)c1 ZINC000655688810 837610358 /nfs/dbraw/zinc/61/03/58/837610358.db2.gz JPLJKNYNDUBITE-FCHUYYIVSA-N 2 2 391.987 3.710 20 0 GHADLP Clc1cccc([C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)N2CCCC2)c1 ZINC000655688810 837610365 /nfs/dbraw/zinc/61/03/65/837610365.db2.gz JPLJKNYNDUBITE-FCHUYYIVSA-N 2 2 391.987 3.710 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1)c1ccccc1 ZINC000655689805 837670839 /nfs/dbraw/zinc/67/08/39/837670839.db2.gz OJVZCUWAKCUZDU-QHCPKHFHSA-N 2 2 393.531 3.672 20 0 GHADLP C[NH+](C)[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000431809797 837743695 /nfs/dbraw/zinc/74/36/95/837743695.db2.gz GJWBBCSVYGKOOC-KCZVDYSFSA-N 2 2 387.474 3.519 20 0 GHADLP C[NH+](C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000431809797 837743699 /nfs/dbraw/zinc/74/36/99/837743699.db2.gz GJWBBCSVYGKOOC-KCZVDYSFSA-N 2 2 387.474 3.519 20 0 GHADLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCOC1 ZINC000151886416 834545236 /nfs/dbraw/zinc/54/52/36/834545236.db2.gz KQXZURZHPRFIIO-XLIONFOSSA-N 2 2 399.501 3.622 20 0 GHADLP Cc1cc(C)c(CNC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c[nH+]1 ZINC000458587746 834636621 /nfs/dbraw/zinc/63/66/21/834636621.db2.gz VOUILUUDJJPWGA-OEWRPIJISA-N 2 2 380.536 3.654 20 0 GHADLP Cc1cc(C)c(CNC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c[nH+]1 ZINC000458587746 834636628 /nfs/dbraw/zinc/63/66/28/834636628.db2.gz VOUILUUDJJPWGA-OEWRPIJISA-N 2 2 380.536 3.654 20 0 GHADLP COc1cncc(/C=C\CC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000583561672 834650259 /nfs/dbraw/zinc/65/02/59/834650259.db2.gz KUZCNLFXDXFJBP-DAXSKMNVSA-N 2 2 380.536 3.527 20 0 GHADLP COc1cncc(/C=C\CC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000583561672 834650261 /nfs/dbraw/zinc/65/02/61/834650261.db2.gz KUZCNLFXDXFJBP-DAXSKMNVSA-N 2 2 380.536 3.527 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)COc2ccccc2Cl)c(C)c1 ZINC000583626276 834771452 /nfs/dbraw/zinc/77/14/52/834771452.db2.gz KZQZOJFTCYMQIR-GHTZIAJQSA-N 2 2 399.922 3.924 20 0 GHADLP FC(F)(F)COc1ncccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000151110972 834909664 /nfs/dbraw/zinc/90/96/64/834909664.db2.gz IEHPJBNCEZSSHN-UHFFFAOYSA-N 2 2 393.453 3.819 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000685412453 834988890 /nfs/dbraw/zinc/98/88/90/834988890.db2.gz VHWDBQCRDGPGOF-DLBZAZTESA-N 2 2 391.606 3.577 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000685412453 834988899 /nfs/dbraw/zinc/98/88/99/834988899.db2.gz VHWDBQCRDGPGOF-DLBZAZTESA-N 2 2 391.606 3.577 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000685412453 834988912 /nfs/dbraw/zinc/98/89/12/834988912.db2.gz VHWDBQCRDGPGOF-DLBZAZTESA-N 2 2 391.606 3.577 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000685412453 834988923 /nfs/dbraw/zinc/98/89/23/834988923.db2.gz VHWDBQCRDGPGOF-DLBZAZTESA-N 2 2 391.606 3.577 20 0 GHADLP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000139997850 835012737 /nfs/dbraw/zinc/01/27/37/835012737.db2.gz FFYVMPQLKZRYOX-LJQANCHMSA-N 2 2 394.544 3.635 20 0 GHADLP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000139997850 835012749 /nfs/dbraw/zinc/01/27/49/835012749.db2.gz FFYVMPQLKZRYOX-LJQANCHMSA-N 2 2 394.544 3.635 20 0 GHADLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC000685444586 835014524 /nfs/dbraw/zinc/01/45/24/835014524.db2.gz LGZSUIQTZKYHRD-UHFFFAOYSA-N 2 2 388.474 3.573 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000685468762 835033084 /nfs/dbraw/zinc/03/30/84/835033084.db2.gz TXOGLJFXUGXPDP-GOTSBHOMSA-N 3 2 384.487 3.791 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000510111701 835316984 /nfs/dbraw/zinc/31/69/84/835316984.db2.gz DWCLTAMKOKGOPR-CTNGQTDRSA-N 2 2 388.515 3.903 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[N@H+]1Cc1ccccc1 ZINC000510111701 835316996 /nfs/dbraw/zinc/31/69/96/835316996.db2.gz DWCLTAMKOKGOPR-CTNGQTDRSA-N 2 2 388.515 3.903 20 0 GHADLP Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)s1 ZINC000101548135 835328720 /nfs/dbraw/zinc/32/87/20/835328720.db2.gz SXJFFPBMJZRMRH-UHFFFAOYSA-N 2 2 380.517 3.637 20 0 GHADLP O=C1Nc2ccccc2C12CCC([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CC2 ZINC000151356395 835394272 /nfs/dbraw/zinc/39/42/72/835394272.db2.gz ROTKEBAHPDCMNJ-UHFFFAOYSA-N 2 2 386.499 3.854 20 0 GHADLP Brc1ccccc1C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000658294302 835558784 /nfs/dbraw/zinc/55/87/84/835558784.db2.gz GYPCSUHUVOVJFC-QUCCMNQESA-N 2 2 393.369 3.613 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(C(C)(C)C)c(Cl)c3)C2)CC1 ZINC000685734460 835823682 /nfs/dbraw/zinc/82/36/82/835823682.db2.gz ZAASFBAXXYXERV-INIZCTEOSA-N 2 2 377.960 3.536 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(C(C)(C)C)c(Cl)c3)C2)CC1 ZINC000685734460 835823693 /nfs/dbraw/zinc/82/36/93/835823693.db2.gz ZAASFBAXXYXERV-INIZCTEOSA-N 2 2 377.960 3.536 20 0 GHADLP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001206806703 835912078 /nfs/dbraw/zinc/91/20/78/835912078.db2.gz HEUVTTJPBOVKBV-ZYHUDNBSSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001206806703 835912081 /nfs/dbraw/zinc/91/20/81/835912081.db2.gz HEUVTTJPBOVKBV-ZYHUDNBSSA-N 2 2 381.236 3.907 20 0 GHADLP COc1c(F)cccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001143532796 844115877 /nfs/dbraw/zinc/11/58/77/844115877.db2.gz LPURBIKEBSFSCV-XJABCFGWSA-N 2 2 383.511 3.962 20 0 GHADLP COc1c(F)cccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001143532796 844115883 /nfs/dbraw/zinc/11/58/83/844115883.db2.gz LPURBIKEBSFSCV-XJABCFGWSA-N 2 2 383.511 3.962 20 0 GHADLP COc1c(F)cccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001143532796 844115890 /nfs/dbraw/zinc/11/58/90/844115890.db2.gz LPURBIKEBSFSCV-XJABCFGWSA-N 2 2 383.511 3.962 20 0 GHADLP COc1c(F)cccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001143532796 844115897 /nfs/dbraw/zinc/11/58/97/844115897.db2.gz LPURBIKEBSFSCV-XJABCFGWSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000065890166 836150927 /nfs/dbraw/zinc/15/09/27/836150927.db2.gz WXNCTURAGSWAJM-UHFFFAOYSA-N 2 2 383.536 3.879 20 0 GHADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc[nH+]c2c(O)cccc12 ZINC000684575210 844137327 /nfs/dbraw/zinc/13/73/27/844137327.db2.gz AXKSCVOFOUCKRX-UHFFFAOYSA-N 3 2 382.552 3.573 20 0 GHADLP Cc1ccccc1CNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000548933349 836292473 /nfs/dbraw/zinc/29/24/73/836292473.db2.gz RKUPBFHYQFNBTJ-JOCHJYFZSA-N 2 2 379.548 3.502 20 0 GHADLP Cc1ccccc1CNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000548933349 836292482 /nfs/dbraw/zinc/29/24/82/836292482.db2.gz RKUPBFHYQFNBTJ-JOCHJYFZSA-N 2 2 379.548 3.502 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1nnnn1-c1ccccc1 ZINC000174087215 836377761 /nfs/dbraw/zinc/37/77/61/836377761.db2.gz FDLKQLNLQSZIME-LJQANCHMSA-N 2 2 390.535 3.889 20 0 GHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000332681114 836457106 /nfs/dbraw/zinc/45/71/06/836457106.db2.gz IDXVVVZDCIMZQG-AZUAARDMSA-N 2 2 384.568 3.794 20 0 GHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000332681114 836457112 /nfs/dbraw/zinc/45/71/12/836457112.db2.gz IDXVVVZDCIMZQG-AZUAARDMSA-N 2 2 384.568 3.794 20 0 GHADLP CC(C)[NH+](CCCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000511365232 836629550 /nfs/dbraw/zinc/62/95/50/836629550.db2.gz FKSIXXZTUCPBPI-SFTDATJTSA-N 2 2 381.992 3.810 20 0 GHADLP CC(C)[NH+](CCCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000511365232 836629554 /nfs/dbraw/zinc/62/95/54/836629554.db2.gz FKSIXXZTUCPBPI-SFTDATJTSA-N 2 2 381.992 3.810 20 0 GHADLP C[C@H](CN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCC[C@H]1C ZINC000511381765 836814494 /nfs/dbraw/zinc/81/44/94/836814494.db2.gz UHWBMEBOKUUHNF-JYWFKMLOSA-N 2 2 379.976 3.564 20 0 GHADLP C[C@H](CN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCC[C@H]1C ZINC000511381765 836814502 /nfs/dbraw/zinc/81/45/02/836814502.db2.gz UHWBMEBOKUUHNF-JYWFKMLOSA-N 2 2 379.976 3.564 20 0 GHADLP C[C@H](CN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCCC[C@H]1C ZINC000511381765 836814511 /nfs/dbraw/zinc/81/45/11/836814511.db2.gz UHWBMEBOKUUHNF-JYWFKMLOSA-N 2 2 379.976 3.564 20 0 GHADLP C[C@H](CN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1)[N@H+]1CCCC[C@H]1C ZINC000511381765 836814517 /nfs/dbraw/zinc/81/45/17/836814517.db2.gz UHWBMEBOKUUHNF-JYWFKMLOSA-N 2 2 379.976 3.564 20 0 GHADLP COc1ccc(COCCC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000161089353 836911597 /nfs/dbraw/zinc/91/15/97/836911597.db2.gz KOLILYAGGSCSGL-UHFFFAOYSA-N 2 2 397.563 3.927 20 0 GHADLP C[C@H]1C[C@H](NC(=O)NCCCCNc2cccc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000175637238 836935679 /nfs/dbraw/zinc/93/56/79/836935679.db2.gz BAOPVUZELRZMEE-PZJWPPBQSA-N 2 2 395.551 3.626 20 0 GHADLP C[C@H]1C[C@H](NC(=O)NCCCCNc2cccc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000175637238 836935689 /nfs/dbraw/zinc/93/56/89/836935689.db2.gz BAOPVUZELRZMEE-PZJWPPBQSA-N 2 2 395.551 3.626 20 0 GHADLP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414294933 836947867 /nfs/dbraw/zinc/94/78/67/836947867.db2.gz CKVHHDCVIIEVND-FQEVSTJZSA-N 3 2 390.531 3.550 20 0 GHADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180826093 837056093 /nfs/dbraw/zinc/05/60/93/837056093.db2.gz NMGKVXMTKAFEKN-UHFFFAOYSA-N 2 2 378.476 3.509 20 0 GHADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000683426773 837144499 /nfs/dbraw/zinc/14/44/99/837144499.db2.gz YNTZGGYVJLQMOM-UYAOXDASSA-N 2 2 384.568 3.626 20 0 GHADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000683426773 837144505 /nfs/dbraw/zinc/14/45/05/837144505.db2.gz YNTZGGYVJLQMOM-UYAOXDASSA-N 2 2 384.568 3.626 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000659014467 837239097 /nfs/dbraw/zinc/23/90/97/837239097.db2.gz NETZERHAXVDVSS-PMACEKPBSA-N 2 2 382.508 3.673 20 0 GHADLP COc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1OCc1ccc(F)cc1 ZINC000377788108 837968524 /nfs/dbraw/zinc/96/85/24/837968524.db2.gz UBABUZWFNXDNTF-SFHVURJKSA-N 2 2 381.451 3.784 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655850352 838051731 /nfs/dbraw/zinc/05/17/31/838051731.db2.gz VDTNFRUACKETFH-QILLFSRXSA-N 2 2 379.932 3.672 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655850352 838051744 /nfs/dbraw/zinc/05/17/44/838051744.db2.gz VDTNFRUACKETFH-QILLFSRXSA-N 2 2 379.932 3.672 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000535667948 844286961 /nfs/dbraw/zinc/28/69/61/844286961.db2.gz FNLOCFUGMYBSLA-UHFFFAOYSA-N 2 2 397.910 3.771 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000535667948 844286963 /nfs/dbraw/zinc/28/69/63/844286963.db2.gz FNLOCFUGMYBSLA-UHFFFAOYSA-N 2 2 397.910 3.771 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3csc(C(F)(F)F)n3)[nH+]c2)CC1 ZINC000893137047 838220691 /nfs/dbraw/zinc/22/06/91/838220691.db2.gz XMHRGECTLBHXAA-UHFFFAOYSA-N 2 2 385.459 3.699 20 0 GHADLP CC(C)C(=O)N1CCC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001167315341 838232737 /nfs/dbraw/zinc/23/27/37/838232737.db2.gz WXXIXZIIWJHXRB-UHFFFAOYSA-N 2 2 385.596 3.522 20 0 GHADLP CC(C)C(=O)N1CCC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001167315341 838232743 /nfs/dbraw/zinc/23/27/43/838232743.db2.gz WXXIXZIIWJHXRB-UHFFFAOYSA-N 2 2 385.596 3.522 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796675368 838513932 /nfs/dbraw/zinc/51/39/32/838513932.db2.gz NMNUQLPTCIPYCZ-QGZVFWFLSA-N 2 2 376.545 3.623 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC000376680935 838622775 /nfs/dbraw/zinc/62/27/75/838622775.db2.gz PCKYVRIYHNMRPS-NQIIRXRSSA-N 2 2 380.536 3.591 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)CC2 ZINC000376680935 838622779 /nfs/dbraw/zinc/62/27/79/838622779.db2.gz PCKYVRIYHNMRPS-NQIIRXRSSA-N 2 2 380.536 3.591 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)o1 ZINC000041816209 838772562 /nfs/dbraw/zinc/77/25/62/838772562.db2.gz AAOJVCAIOVVZTD-GOSISDBHSA-N 2 2 377.916 3.808 20 0 GHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2OCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000564579255 838869846 /nfs/dbraw/zinc/86/98/46/838869846.db2.gz MXJSKAWOEDOHCT-QZTJIDSGSA-N 2 2 379.426 3.948 20 0 GHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2OCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000564579255 838869858 /nfs/dbraw/zinc/86/98/58/838869858.db2.gz MXJSKAWOEDOHCT-QZTJIDSGSA-N 2 2 379.426 3.948 20 0 GHADLP COc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C(C)C)c(Br)c1 ZINC000580132874 838941340 /nfs/dbraw/zinc/94/13/40/838941340.db2.gz HRDRLSSBENPJDJ-FZKQIMNGSA-N 2 2 378.314 3.956 20 0 GHADLP CC(=O)c1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549163906 839105714 /nfs/dbraw/zinc/10/57/14/839105714.db2.gz AEKFDLGBWRBZDR-QFIPXVFZSA-N 2 2 393.531 3.718 20 0 GHADLP CC(=O)c1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549163906 839105719 /nfs/dbraw/zinc/10/57/19/839105719.db2.gz AEKFDLGBWRBZDR-QFIPXVFZSA-N 2 2 393.531 3.718 20 0 GHADLP CN(C(=O)c1ccc(F)c(F)c1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124710556 839165729 /nfs/dbraw/zinc/16/57/29/839165729.db2.gz YVNOKYVMSZUTJS-MSOLQXFVSA-N 2 2 397.485 3.513 20 0 GHADLP CN(C(=O)c1ccc(F)c(F)c1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124710556 839165737 /nfs/dbraw/zinc/16/57/37/839165737.db2.gz YVNOKYVMSZUTJS-MSOLQXFVSA-N 2 2 397.485 3.513 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1nccc1-c1cccnc1 ZINC000173513114 839412324 /nfs/dbraw/zinc/41/23/24/839412324.db2.gz QMVFHVZPFNCNGF-UHFFFAOYSA-N 2 2 376.508 3.536 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1nccc1-c1cccnc1 ZINC000173513114 839412332 /nfs/dbraw/zinc/41/23/32/839412332.db2.gz QMVFHVZPFNCNGF-UHFFFAOYSA-N 2 2 376.508 3.536 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000656257548 839879587 /nfs/dbraw/zinc/87/95/87/839879587.db2.gz KQDRKTVVRXRBQM-QGZVFWFLSA-N 2 2 391.357 3.859 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000656257548 839879595 /nfs/dbraw/zinc/87/95/95/839879595.db2.gz KQDRKTVVRXRBQM-QGZVFWFLSA-N 2 2 391.357 3.859 20 0 GHADLP CCC[N@@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000513111934 844504139 /nfs/dbraw/zinc/50/41/39/844504139.db2.gz PKZKHWWIXDRZDV-IBGZPJMESA-N 2 2 394.401 3.878 20 0 GHADLP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000513111934 844504148 /nfs/dbraw/zinc/50/41/48/844504148.db2.gz PKZKHWWIXDRZDV-IBGZPJMESA-N 2 2 394.401 3.878 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ccc3OC[C@@H]3CCCO3)CC[C@@H]21 ZINC000535808356 844507802 /nfs/dbraw/zinc/50/78/02/844507802.db2.gz AKGJLERUJDFCIX-UXPWSPDFSA-N 2 2 378.944 3.814 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ccc3OC[C@@H]3CCCO3)CC[C@@H]21 ZINC000535808356 844507806 /nfs/dbraw/zinc/50/78/06/844507806.db2.gz AKGJLERUJDFCIX-UXPWSPDFSA-N 2 2 378.944 3.814 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OC[C@@H]3CCCO3)CC[C@@H]21 ZINC000535808356 844507811 /nfs/dbraw/zinc/50/78/11/844507811.db2.gz AKGJLERUJDFCIX-UXPWSPDFSA-N 2 2 378.944 3.814 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OC[C@@H]3CCCO3)CC[C@@H]21 ZINC000535808356 844507814 /nfs/dbraw/zinc/50/78/14/844507814.db2.gz AKGJLERUJDFCIX-UXPWSPDFSA-N 2 2 378.944 3.814 20 0 GHADLP COc1ccc(Br)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535809078 844511449 /nfs/dbraw/zinc/51/14/49/844511449.db2.gz FGZSBGBAZDSORY-IFXJQAMLSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535809078 844511460 /nfs/dbraw/zinc/51/14/60/844511460.db2.gz FGZSBGBAZDSORY-IFXJQAMLSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000535809078 844511464 /nfs/dbraw/zinc/51/14/64/844511464.db2.gz FGZSBGBAZDSORY-IFXJQAMLSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000535809078 844511471 /nfs/dbraw/zinc/51/14/71/844511471.db2.gz FGZSBGBAZDSORY-IFXJQAMLSA-N 2 2 379.342 3.906 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000580810603 840234111 /nfs/dbraw/zinc/23/41/11/840234111.db2.gz OTADJPOIAARIQH-MRXNPFEDSA-N 2 2 387.911 3.592 20 0 GHADLP CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000660481562 840624650 /nfs/dbraw/zinc/62/46/50/840624650.db2.gz QYFDTQPLRXRWAM-MOPGFXCFSA-N 2 2 386.584 3.684 20 0 GHADLP CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000660481562 840624659 /nfs/dbraw/zinc/62/46/59/840624659.db2.gz QYFDTQPLRXRWAM-MOPGFXCFSA-N 2 2 386.584 3.684 20 0 GHADLP [NH3+]C1(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCCCCC1 ZINC000584708419 840640442 /nfs/dbraw/zinc/64/04/42/840640442.db2.gz UUKWUULUGAFRQA-UHFFFAOYSA-N 2 2 379.508 3.775 20 0 GHADLP CN(C(=O)c1ccc(C2CCCCC2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479565 840666582 /nfs/dbraw/zinc/66/65/82/840666582.db2.gz WQPFTFNTFXUNTK-QHCPKHFHSA-N 2 2 383.580 3.975 20 0 GHADLP CN(C(=O)c1ccc(C2CCCCC2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479565 840666588 /nfs/dbraw/zinc/66/65/88/840666588.db2.gz WQPFTFNTFXUNTK-QHCPKHFHSA-N 2 2 383.580 3.975 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417345097 840755166 /nfs/dbraw/zinc/75/51/66/840755166.db2.gz SYMIBZHRFJEJSA-DZFGPLHGSA-N 2 2 386.561 3.741 20 0 GHADLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000660692179 841104285 /nfs/dbraw/zinc/10/42/85/841104285.db2.gz JCGUGVPEDVGNTI-UHFFFAOYSA-N 2 2 395.547 3.511 20 0 GHADLP Cc1ccc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c(N(C)C)[nH+]1 ZINC000162490405 841213026 /nfs/dbraw/zinc/21/30/26/841213026.db2.gz BSALDYUUUHBHRO-UHFFFAOYSA-N 2 2 387.553 3.551 20 0 GHADLP O=C(NCCCNc1cccc[nH+]1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650417960 841455814 /nfs/dbraw/zinc/45/58/14/841455814.db2.gz KCMQEAZOSIXYFQ-UHFFFAOYSA-N 2 2 399.564 3.893 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2CNc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000557117654 841746642 /nfs/dbraw/zinc/74/66/42/841746642.db2.gz GDCGRFOTMUYCFL-UHFFFAOYSA-N 2 2 385.943 3.699 20 0 GHADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806811 841793833 /nfs/dbraw/zinc/79/38/33/841793833.db2.gz VBVMRWAVSJJDON-INIZCTEOSA-N 2 2 379.495 3.880 20 0 GHADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806814 841794300 /nfs/dbraw/zinc/79/43/00/841794300.db2.gz VBVMRWAVSJJDON-MRXNPFEDSA-N 2 2 379.495 3.880 20 0 GHADLP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000623600735 861237717 /nfs/dbraw/zinc/23/77/17/861237717.db2.gz ZXKLAUYCXNALCM-INIZCTEOSA-N 2 2 378.442 3.726 20 0 GHADLP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000623600735 861237727 /nfs/dbraw/zinc/23/77/27/861237727.db2.gz ZXKLAUYCXNALCM-INIZCTEOSA-N 2 2 378.442 3.726 20 0 GHADLP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1cccc(Cn3cc[nH+]c3C(C)C)c1)CC2 ZINC000581828309 842246633 /nfs/dbraw/zinc/24/66/33/842246633.db2.gz WPNCHGONFNCCQI-GOSISDBHSA-N 2 2 377.492 3.761 20 0 GHADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000512045859 842311674 /nfs/dbraw/zinc/31/16/74/842311674.db2.gz OJRQTTHLMKRHDK-KKSFZXQISA-N 2 2 389.565 3.620 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cscc2Br)[C@@H](C)C1 ZINC000512050295 842337311 /nfs/dbraw/zinc/33/73/11/842337311.db2.gz CFNOAQGYTVLEDN-XJKSGUPXSA-N 2 2 375.376 3.737 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cscc2Br)[C@@H](C)C1 ZINC000512050295 842337325 /nfs/dbraw/zinc/33/73/25/842337325.db2.gz CFNOAQGYTVLEDN-XJKSGUPXSA-N 2 2 375.376 3.737 20 0 GHADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000276602484 842351262 /nfs/dbraw/zinc/35/12/62/842351262.db2.gz GWJXZNFQBILYIS-UONOGXRCSA-N 2 2 393.778 3.631 20 0 GHADLP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CCCO1 ZINC000432411686 842406599 /nfs/dbraw/zinc/40/65/99/842406599.db2.gz ABQDZLVPCOGFCG-SUMWQHHRSA-N 2 2 385.321 3.666 20 0 GHADLP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CCCO1 ZINC000432411686 842406604 /nfs/dbraw/zinc/40/66/04/842406604.db2.gz ABQDZLVPCOGFCG-SUMWQHHRSA-N 2 2 385.321 3.666 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)COc2ccc(C(F)(F)F)cn2)s1 ZINC000512082754 842441107 /nfs/dbraw/zinc/44/11/07/842441107.db2.gz LOAUMFHLGLZHQO-UHFFFAOYSA-N 2 2 388.459 3.566 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000548307472 842536915 /nfs/dbraw/zinc/53/69/15/842536915.db2.gz ILXICWPTXGRRKQ-MJGOQNOKSA-N 2 2 387.487 3.775 20 0 GHADLP C[C@H](CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000430753192 842930729 /nfs/dbraw/zinc/93/07/29/842930729.db2.gz JLABREFBRASCCU-GJYPPUQNSA-N 2 2 395.950 3.758 20 0 GHADLP CC1(C)C[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c2ccccc21 ZINC000481427870 861369810 /nfs/dbraw/zinc/36/98/10/861369810.db2.gz ZFCRPLDWDZCRCG-HSZRJFAPSA-N 2 2 380.532 3.910 20 0 GHADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000247652021 843033080 /nfs/dbraw/zinc/03/30/80/843033080.db2.gz WNPNITTXYBFEFA-GMQQQROESA-N 2 2 395.551 3.531 20 0 GHADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000247652021 843033093 /nfs/dbraw/zinc/03/30/93/843033093.db2.gz WNPNITTXYBFEFA-GMQQQROESA-N 2 2 395.551 3.531 20 0 GHADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CC[NH+](C2CC2)CC1 ZINC000279496370 843083054 /nfs/dbraw/zinc/08/30/54/843083054.db2.gz MEXXQCGFBIUGPY-IBGZPJMESA-N 2 2 393.934 3.607 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000178656967 861394328 /nfs/dbraw/zinc/39/43/28/861394328.db2.gz IGIFNGCCOXMSBI-INIZCTEOSA-N 2 2 385.371 3.686 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000474907667 861395577 /nfs/dbraw/zinc/39/55/77/861395577.db2.gz ORNPLZFBASBENI-KRWDZBQOSA-N 2 2 398.551 3.997 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000474907667 861395592 /nfs/dbraw/zinc/39/55/92/861395592.db2.gz ORNPLZFBASBENI-KRWDZBQOSA-N 2 2 398.551 3.997 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000535657545 843351140 /nfs/dbraw/zinc/35/11/40/843351140.db2.gz CRWJXUWXPHAHCR-SJORKVTESA-N 2 2 377.941 3.638 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000535657545 843351154 /nfs/dbraw/zinc/35/11/54/843351154.db2.gz CRWJXUWXPHAHCR-SJORKVTESA-N 2 2 377.941 3.638 20 0 GHADLP CCC[N@H+](Cc1csc(-c2ccc(OC)cc2OC)n1)C1CC[NH2+]CC1 ZINC000431104521 843604093 /nfs/dbraw/zinc/60/40/93/843604093.db2.gz GLHFZJZXNDVHEF-UHFFFAOYSA-N 2 2 375.538 3.791 20 0 GHADLP CCC[N@@H+](Cc1csc(-c2ccc(OC)cc2OC)n1)C1CC[NH2+]CC1 ZINC000431104521 843604101 /nfs/dbraw/zinc/60/41/01/843604101.db2.gz GLHFZJZXNDVHEF-UHFFFAOYSA-N 2 2 375.538 3.791 20 0 GHADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(OC)ccc2OCc2ccccn2)CC1 ZINC000092165410 843733221 /nfs/dbraw/zinc/73/32/21/843733221.db2.gz DDYKPHOYGGUWEK-UHFFFAOYSA-N 2 2 383.536 3.975 20 0 GHADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)ccc2OCc2ccccn2)CC1 ZINC000092165410 843733225 /nfs/dbraw/zinc/73/32/25/843733225.db2.gz DDYKPHOYGGUWEK-UHFFFAOYSA-N 2 2 383.536 3.975 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432791081 843832753 /nfs/dbraw/zinc/83/27/53/843832753.db2.gz DVIULWBAJDCKOO-SFHVURJKSA-N 2 2 391.357 3.859 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432791081 843832767 /nfs/dbraw/zinc/83/27/67/843832767.db2.gz DVIULWBAJDCKOO-SFHVURJKSA-N 2 2 391.357 3.859 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000432790307 843842269 /nfs/dbraw/zinc/84/22/69/843842269.db2.gz BWRZULSFNNAHJN-KRWDZBQOSA-N 2 2 377.330 3.551 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000432790307 843842277 /nfs/dbraw/zinc/84/22/77/843842277.db2.gz BWRZULSFNNAHJN-KRWDZBQOSA-N 2 2 377.330 3.551 20 0 GHADLP O=C1[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000419294170 843916428 /nfs/dbraw/zinc/91/64/28/843916428.db2.gz ONTSYFXIVYCJCE-GOSISDBHSA-N 2 2 382.335 3.705 20 0 GHADLP Clc1ccccc1OCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512474872 843934836 /nfs/dbraw/zinc/93/48/36/843934836.db2.gz OBKUWDAHULGHMN-NRFANRHFSA-N 2 2 399.966 3.611 20 0 GHADLP Clc1ccccc1OCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512474872 843934844 /nfs/dbraw/zinc/93/48/44/843934844.db2.gz OBKUWDAHULGHMN-NRFANRHFSA-N 2 2 399.966 3.611 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000433297805 843985579 /nfs/dbraw/zinc/98/55/79/843985579.db2.gz MJFOQLSUELRDKS-YYDVJCTNSA-N 2 2 395.547 3.927 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000433297805 843985586 /nfs/dbraw/zinc/98/55/86/843985586.db2.gz MJFOQLSUELRDKS-YYDVJCTNSA-N 2 2 395.547 3.927 20 0 GHADLP C[NH+](C)[C@@H](CC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccccc1 ZINC000433313741 843998332 /nfs/dbraw/zinc/99/83/32/843998332.db2.gz WUIMEBXLPYGHEO-FQEVSTJZSA-N 2 2 378.476 3.594 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4([NH+]5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512616565 844752450 /nfs/dbraw/zinc/75/24/50/844752450.db2.gz BRKSANZUUJQBIF-HJOGWXRNSA-N 3 2 397.607 3.522 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4([NH+]5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512616565 844752452 /nfs/dbraw/zinc/75/24/52/844752452.db2.gz BRKSANZUUJQBIF-HJOGWXRNSA-N 3 2 397.607 3.522 20 0 GHADLP Cc1ccc(C)c(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535851839 844794150 /nfs/dbraw/zinc/79/41/50/844794150.db2.gz SDNRKABWDQLJAB-XZOQPEGZSA-N 2 2 385.596 3.642 20 0 GHADLP Cc1ccc(C)c(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535851839 844794160 /nfs/dbraw/zinc/79/41/60/844794160.db2.gz SDNRKABWDQLJAB-XZOQPEGZSA-N 2 2 385.596 3.642 20 0 GHADLP CCn1c(C)cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000535850710 844812636 /nfs/dbraw/zinc/81/26/36/844812636.db2.gz LGXVEGUCABQQBM-VXKWHMMOSA-N 2 2 388.600 3.534 20 0 GHADLP CCn1c(C)cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000535850710 844812638 /nfs/dbraw/zinc/81/26/38/844812638.db2.gz LGXVEGUCABQQBM-VXKWHMMOSA-N 2 2 388.600 3.534 20 0 GHADLP CN(Cc1cc(Cl)ccc1OCC1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684619805 844835506 /nfs/dbraw/zinc/83/55/06/844835506.db2.gz PTNBXTBRNVDMED-NRFANRHFSA-N 2 2 391.987 3.729 20 0 GHADLP CN(Cc1cc(Cl)ccc1OCC1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684619805 844835515 /nfs/dbraw/zinc/83/55/15/844835515.db2.gz PTNBXTBRNVDMED-NRFANRHFSA-N 2 2 391.987 3.729 20 0 GHADLP C[NH+](C)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)cc2)CC1 ZINC000277152387 844870595 /nfs/dbraw/zinc/87/05/95/844870595.db2.gz JQUTZWGSLNEWLY-PSWAGMNNSA-N 4 2 386.628 3.519 20 0 GHADLP C[NH+](C)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)cc2)CC1 ZINC000277152387 844870601 /nfs/dbraw/zinc/87/06/01/844870601.db2.gz JQUTZWGSLNEWLY-PSWAGMNNSA-N 4 2 386.628 3.519 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@H]([NH+](C)C)CC3)cc2)CC1 ZINC000277152387 844870606 /nfs/dbraw/zinc/87/06/06/844870606.db2.gz JQUTZWGSLNEWLY-PSWAGMNNSA-N 4 2 386.628 3.519 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@H]([NH+](C)C)CC3)cc2)CC1 ZINC000277152387 844870613 /nfs/dbraw/zinc/87/06/13/844870613.db2.gz JQUTZWGSLNEWLY-PSWAGMNNSA-N 4 2 386.628 3.519 20 0 GHADLP CCOc1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512669535 844976165 /nfs/dbraw/zinc/97/61/65/844976165.db2.gz VASZYNRZISLBQJ-NRFANRHFSA-N 2 2 394.563 3.515 20 0 GHADLP CCOc1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512669535 844976180 /nfs/dbraw/zinc/97/61/80/844976180.db2.gz VASZYNRZISLBQJ-NRFANRHFSA-N 2 2 394.563 3.515 20 0 GHADLP CCOc1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512669536 844976392 /nfs/dbraw/zinc/97/63/92/844976392.db2.gz VASZYNRZISLBQJ-OAQYLSRUSA-N 2 2 394.563 3.515 20 0 GHADLP CCOc1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512669536 844976395 /nfs/dbraw/zinc/97/63/95/844976395.db2.gz VASZYNRZISLBQJ-OAQYLSRUSA-N 2 2 394.563 3.515 20 0 GHADLP Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512668829 844980200 /nfs/dbraw/zinc/98/02/00/844980200.db2.gz OFMGGADGCGEHBI-FQEVSTJZSA-N 2 2 382.527 3.563 20 0 GHADLP Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512668829 844980208 /nfs/dbraw/zinc/98/02/08/844980208.db2.gz OFMGGADGCGEHBI-FQEVSTJZSA-N 2 2 382.527 3.563 20 0 GHADLP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000513354838 845294936 /nfs/dbraw/zinc/29/49/36/845294936.db2.gz BBKMVBQTAXBBSS-SFHVURJKSA-N 2 2 386.511 3.682 20 0 GHADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000513354838 845294945 /nfs/dbraw/zinc/29/49/45/845294945.db2.gz BBKMVBQTAXBBSS-SFHVURJKSA-N 2 2 386.511 3.682 20 0 GHADLP Cn1nccc1-c1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000513515712 845563149 /nfs/dbraw/zinc/56/31/49/845563149.db2.gz PZTQXZJOJQTIHU-IBGZPJMESA-N 2 2 375.520 4.000 20 0 GHADLP Cn1nccc1-c1ccccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000513515712 845563166 /nfs/dbraw/zinc/56/31/66/845563166.db2.gz PZTQXZJOJQTIHU-IBGZPJMESA-N 2 2 375.520 4.000 20 0 GHADLP C[NH+](C)[C@@H]1CCC[NH+](Cc2ccccc2C[N@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000277315907 845696875 /nfs/dbraw/zinc/69/68/75/845696875.db2.gz UWRLWLAXTXTIBZ-PSWAGMNNSA-N 4 2 386.628 3.519 20 0 GHADLP C[NH+](C)[C@@H]1CCC[NH+](Cc2ccccc2C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000277315907 845696879 /nfs/dbraw/zinc/69/68/79/845696879.db2.gz UWRLWLAXTXTIBZ-PSWAGMNNSA-N 4 2 386.628 3.519 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000277315907 845696886 /nfs/dbraw/zinc/69/68/86/845696886.db2.gz UWRLWLAXTXTIBZ-PSWAGMNNSA-N 4 2 386.628 3.519 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2C[NH+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000277315907 845696889 /nfs/dbraw/zinc/69/68/89/845696889.db2.gz UWRLWLAXTXTIBZ-PSWAGMNNSA-N 4 2 386.628 3.519 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccccc3OC(F)(F)F)CC2)CC1 ZINC000421368839 846180541 /nfs/dbraw/zinc/18/05/41/846180541.db2.gz GQHXIQJWILQUCK-UHFFFAOYSA-N 2 2 385.474 3.577 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccccc3OC(F)(F)F)CC2)CC1 ZINC000421368839 846180546 /nfs/dbraw/zinc/18/05/46/846180546.db2.gz GQHXIQJWILQUCK-UHFFFAOYSA-N 2 2 385.474 3.577 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000513655969 846199114 /nfs/dbraw/zinc/19/91/14/846199114.db2.gz PJRQPGRRKOOBLL-BDTNDASRSA-N 2 2 393.579 3.785 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000513655969 846199120 /nfs/dbraw/zinc/19/91/20/846199120.db2.gz PJRQPGRRKOOBLL-BDTNDASRSA-N 2 2 393.579 3.785 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000414358185 846237371 /nfs/dbraw/zinc/23/73/71/846237371.db2.gz GABJWCFDXWNKIO-AWEZNQCLSA-N 2 2 375.419 3.718 20 0 GHADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000502862508 846568896 /nfs/dbraw/zinc/56/88/96/846568896.db2.gz NSUQVCFQOHUBIR-QWDXWUACSA-N 2 2 398.595 3.539 20 0 GHADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000502862508 846568908 /nfs/dbraw/zinc/56/89/08/846568908.db2.gz NSUQVCFQOHUBIR-QWDXWUACSA-N 2 2 398.595 3.539 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1sccc1NC(=O)OC(C)(C)C ZINC000892235197 846742455 /nfs/dbraw/zinc/74/24/55/846742455.db2.gz UEXUXJHPYLAOSV-PVAVHDDUSA-N 2 2 395.569 3.779 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1sccc1NC(=O)OC(C)(C)C ZINC000892235197 846742461 /nfs/dbraw/zinc/74/24/61/846742461.db2.gz UEXUXJHPYLAOSV-PVAVHDDUSA-N 2 2 395.569 3.779 20 0 GHADLP CC[C@H](C)[C@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422027091 846758838 /nfs/dbraw/zinc/75/88/38/846758838.db2.gz VQYCWRYKIIWTSM-REWPJTCUSA-N 2 2 385.596 3.835 20 0 GHADLP CC[C@H](C)[C@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422027091 846758844 /nfs/dbraw/zinc/75/88/44/846758844.db2.gz VQYCWRYKIIWTSM-REWPJTCUSA-N 2 2 385.596 3.835 20 0 GHADLP COC[C@@H](C)Oc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000657381492 846763587 /nfs/dbraw/zinc/76/35/87/846763587.db2.gz QHKVMLOYUHYLFT-GCJKJVERSA-N 2 2 379.504 3.907 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000501279981 846799376 /nfs/dbraw/zinc/79/93/76/846799376.db2.gz GXPNCQBKWLAQND-UHFFFAOYSA-N 2 2 392.547 3.988 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(I)cc2Cl)CC[N@@H+]1C ZINC000501470227 846942164 /nfs/dbraw/zinc/94/21/64/846942164.db2.gz XBOOHYJQZIHCIN-MFKMUULPSA-N 2 2 378.685 3.517 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(I)cc2Cl)CC[N@H+]1C ZINC000501470227 846942171 /nfs/dbraw/zinc/94/21/71/846942171.db2.gz XBOOHYJQZIHCIN-MFKMUULPSA-N 2 2 378.685 3.517 20 0 GHADLP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCOCC1 ZINC000152426041 847030488 /nfs/dbraw/zinc/03/04/88/847030488.db2.gz CQCLZLKASSPCEG-XUZZJYLKSA-N 2 2 393.575 3.938 20 0 GHADLP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCOCC1 ZINC000152426041 847030495 /nfs/dbraw/zinc/03/04/95/847030495.db2.gz CQCLZLKASSPCEG-XUZZJYLKSA-N 2 2 393.575 3.938 20 0 GHADLP C[C@H](c1nnc(SCC[C@H]2CCCC[N@@H+]2C)n1-c1ccc(F)cc1)[NH+](C)C ZINC000501658201 847079215 /nfs/dbraw/zinc/07/92/15/847079215.db2.gz MHNLHSDSCGEHMA-NVXWUHKLSA-N 2 2 391.560 3.996 20 0 GHADLP C[C@H](c1nnc(SCC[C@H]2CCCC[N@H+]2C)n1-c1ccc(F)cc1)[NH+](C)C ZINC000501658201 847079219 /nfs/dbraw/zinc/07/92/19/847079219.db2.gz MHNLHSDSCGEHMA-NVXWUHKLSA-N 2 2 391.560 3.996 20 0 GHADLP CCc1noc(C2CCC(Nc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)CC2)n1 ZINC000272528093 847100955 /nfs/dbraw/zinc/10/09/55/847100955.db2.gz OLMRLATUHXDVSM-UHFFFAOYSA-N 2 2 398.555 3.696 20 0 GHADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3cc(Br)ccc3C2)cc1 ZINC000420362096 847140274 /nfs/dbraw/zinc/14/02/74/847140274.db2.gz AGEIGXNSHFSZBY-KRWDZBQOSA-N 2 2 375.310 3.558 20 0 GHADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3cc(Br)ccc3C2)cc1 ZINC000420362096 847140281 /nfs/dbraw/zinc/14/02/81/847140281.db2.gz AGEIGXNSHFSZBY-KRWDZBQOSA-N 2 2 375.310 3.558 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)N(CC[NH+](C)C)C3CCCCC3)cn2c1 ZINC000513725999 847355968 /nfs/dbraw/zinc/35/59/68/847355968.db2.gz SZWUHQSRBAPSCO-UHFFFAOYSA-N 2 2 388.581 3.599 20 0 GHADLP Cc1cc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(C)[nH+]1 ZINC000422199404 847453266 /nfs/dbraw/zinc/45/32/66/847453266.db2.gz DPKANUFAKUIFAA-KNQAVFIVSA-N 2 2 380.536 3.893 20 0 GHADLP Cc1cc(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(C)[nH+]1 ZINC000422199404 847453273 /nfs/dbraw/zinc/45/32/73/847453273.db2.gz DPKANUFAKUIFAA-KNQAVFIVSA-N 2 2 380.536 3.893 20 0 GHADLP FC(F)(F)C1(C(F)(F)F)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420917344 847562980 /nfs/dbraw/zinc/56/29/80/847562980.db2.gz QZCLVGFACMQRST-UHFFFAOYSA-N 2 2 396.375 3.836 20 0 GHADLP FC(F)(F)C1(C(F)(F)F)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420917344 847562987 /nfs/dbraw/zinc/56/29/87/847562987.db2.gz QZCLVGFACMQRST-UHFFFAOYSA-N 2 2 396.375 3.836 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000420978695 847605465 /nfs/dbraw/zinc/60/54/65/847605465.db2.gz UJSGYUGGYKMCLW-SFHVURJKSA-N 2 2 394.494 3.694 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379880 847653369 /nfs/dbraw/zinc/65/33/69/847653369.db2.gz XLIUNFYRXBXHRO-MJGOQNOKSA-N 2 2 398.526 3.585 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379880 847653379 /nfs/dbraw/zinc/65/33/79/847653379.db2.gz XLIUNFYRXBXHRO-MJGOQNOKSA-N 2 2 398.526 3.585 20 0 GHADLP COc1cc(C)c(C[C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1OC ZINC000502260456 847669576 /nfs/dbraw/zinc/66/95/76/847669576.db2.gz XAPHBZQMTOWLFG-SFHVURJKSA-N 2 2 379.504 3.978 20 0 GHADLP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000503411811 847676599 /nfs/dbraw/zinc/67/65/99/847676599.db2.gz QQKIFYBKOCTECB-OALUTQOASA-N 2 2 380.536 3.840 20 0 GHADLP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000503411811 847676603 /nfs/dbraw/zinc/67/66/03/847676603.db2.gz QQKIFYBKOCTECB-OALUTQOASA-N 2 2 380.536 3.840 20 0 GHADLP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)CC2)CC1 ZINC000152729682 847679220 /nfs/dbraw/zinc/67/92/20/847679220.db2.gz YBVBDZJQPDPYDM-HAMDTZRPSA-N 2 2 387.572 3.519 20 0 GHADLP COc1cc([C@H](C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)ccc1OCc1ccccc1 ZINC000422723295 847797799 /nfs/dbraw/zinc/79/77/99/847797799.db2.gz QUTBNQJPTFXRJR-LQWHRVPQSA-N 2 2 384.520 3.692 20 0 GHADLP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422768375 847815010 /nfs/dbraw/zinc/81/50/10/847815010.db2.gz NUISKWFRFGHWGN-ONGXBYRLSA-N 2 2 387.549 3.513 20 0 GHADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC000422788819 847821020 /nfs/dbraw/zinc/82/10/20/847821020.db2.gz NMNNIDPWGJNACE-GOEBONIOSA-N 2 2 395.425 3.749 20 0 GHADLP C[C@H](NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422895068 847889288 /nfs/dbraw/zinc/88/92/88/847889288.db2.gz VETGBDXMJHSTSB-HNAYVOBHSA-N 2 2 380.374 3.534 20 0 GHADLP Cc1cc(N2CCC([N@H+](C)CCCO)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000116872444 848057278 /nfs/dbraw/zinc/05/72/78/848057278.db2.gz ZHPSZBDAHAPYFZ-UHFFFAOYSA-N 2 2 397.441 3.725 20 0 GHADLP Cc1cc(N2CCC([N@@H+](C)CCCO)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000116872444 848057286 /nfs/dbraw/zinc/05/72/86/848057286.db2.gz ZHPSZBDAHAPYFZ-UHFFFAOYSA-N 2 2 397.441 3.725 20 0 GHADLP c1ccc(C[NH+]2CCC3(CCN(c4cc(N5CCCCC5)[nH+]cn4)C3)CC2)cc1 ZINC000431481953 848205301 /nfs/dbraw/zinc/20/53/01/848205301.db2.gz DZXVPGHBYUZGNN-UHFFFAOYSA-N 2 2 391.563 3.959 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)cc1 ZINC000582827785 848495412 /nfs/dbraw/zinc/49/54/12/848495412.db2.gz PTZMFFYSEXCHDQ-ZRBLBEILSA-N 2 2 397.563 3.547 20 0 GHADLP c1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)ccc1C[NH+]1CCCCC1 ZINC000278023089 848904870 /nfs/dbraw/zinc/90/48/70/848904870.db2.gz JWYBNFDUAPXXLQ-VQTJNVASSA-N 2 2 382.508 3.648 20 0 GHADLP c1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)ccc1C[NH+]1CCCCC1 ZINC000278023089 848904877 /nfs/dbraw/zinc/90/48/77/848904877.db2.gz JWYBNFDUAPXXLQ-VQTJNVASSA-N 2 2 382.508 3.648 20 0 GHADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(OCc3ccccc3)cc2C(F)(F)F)CC1 ZINC001168746123 861966225 /nfs/dbraw/zinc/96/62/25/861966225.db2.gz CUWVLNSWGVGALV-UHFFFAOYSA-N 2 2 392.425 3.878 20 0 GHADLP CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604209276 861994184 /nfs/dbraw/zinc/99/41/84/861994184.db2.gz NKPFTUPXAPRECU-MZYLBHOOSA-N 2 2 398.595 3.523 20 0 GHADLP CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604209276 861994199 /nfs/dbraw/zinc/99/41/99/861994199.db2.gz NKPFTUPXAPRECU-MZYLBHOOSA-N 2 2 398.595 3.523 20 0 GHADLP FC(F)Oc1ccc2ccccc2c1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750422 849597067 /nfs/dbraw/zinc/59/70/67/849597067.db2.gz BDDIJCSVQGFNDP-KRWDZBQOSA-N 2 2 376.447 3.784 20 0 GHADLP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750970 849621936 /nfs/dbraw/zinc/62/19/36/849621936.db2.gz LXONZUKVSSWMJP-UTKZUKDTSA-N 2 2 377.548 3.651 20 0 GHADLP C[C@@H](CCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000425198471 849787197 /nfs/dbraw/zinc/78/71/97/849787197.db2.gz YBEATMAJFHTNNX-SIKLNZKXSA-N 2 2 390.531 3.959 20 0 GHADLP C[C@@H](CCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000425198471 849787199 /nfs/dbraw/zinc/78/71/99/849787199.db2.gz YBEATMAJFHTNNX-SIKLNZKXSA-N 2 2 390.531 3.959 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1Cn1cccn1 ZINC000156261627 849834888 /nfs/dbraw/zinc/83/48/88/849834888.db2.gz DOZFGZXLJLZJOX-GOSISDBHSA-N 2 2 391.519 3.655 20 0 GHADLP CC(C)[C@@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[NH+]1CCCCCC1 ZINC000504052317 849867394 /nfs/dbraw/zinc/86/73/94/849867394.db2.gz KARZYJKMWVFBEE-JOCHJYFZSA-N 2 2 397.567 3.631 20 0 GHADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)c1ccc(OC)c(OC)c1 ZINC000423337566 849871857 /nfs/dbraw/zinc/87/18/57/849871857.db2.gz RDPPOFCSKHKUQH-HKBOAZHASA-N 2 2 384.520 3.899 20 0 GHADLP COc1ccc(C[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1OC ZINC000423379375 849892132 /nfs/dbraw/zinc/89/21/32/849892132.db2.gz XKNDGNADGFOVOK-NQYLQCIDSA-N 2 2 390.474 3.648 20 0 GHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423514318 849962832 /nfs/dbraw/zinc/96/28/32/849962832.db2.gz WGHSFYGWDZYKDP-VGOFRKELSA-N 2 2 378.520 3.912 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H]([NH3+])[C@H](CC)C3)cs2)cc1OC ZINC000647940119 850350964 /nfs/dbraw/zinc/35/09/64/850350964.db2.gz NDMBPWYFPPVFOP-PBHICJAKSA-N 2 2 375.538 3.777 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@H]([NH3+])[C@H](CC)C3)cs2)cc1OC ZINC000647940119 850350973 /nfs/dbraw/zinc/35/09/73/850350973.db2.gz NDMBPWYFPPVFOP-PBHICJAKSA-N 2 2 375.538 3.777 20 0 GHADLP O[C@@H]1CC[N@@H+](C2CC[NH+](C/C=C\c3ccc(OCc4ccccc4)cc3)CC2)C1 ZINC000668740168 850474741 /nfs/dbraw/zinc/47/47/41/850474741.db2.gz QTZJCHIUZFAWDZ-MKRXODRLSA-N 2 2 392.543 3.810 20 0 GHADLP O[C@@H]1CC[N@H+](C2CC[NH+](C/C=C\c3ccc(OCc4ccccc4)cc3)CC2)C1 ZINC000668740168 850474748 /nfs/dbraw/zinc/47/47/48/850474748.db2.gz QTZJCHIUZFAWDZ-MKRXODRLSA-N 2 2 392.543 3.810 20 0 GHADLP COc1ccc(Oc2ccc(C[NH+]3CCC([N@@H+]4CC[C@@H](O)C4)CC3)cc2)cc1 ZINC000668739881 850475151 /nfs/dbraw/zinc/47/51/51/850475151.db2.gz PHYWAEKHQUBQBF-HXUWFJFHSA-N 2 2 382.504 3.519 20 0 GHADLP COc1ccc(Oc2ccc(C[NH+]3CCC([N@H+]4CC[C@@H](O)C4)CC3)cc2)cc1 ZINC000668739881 850475163 /nfs/dbraw/zinc/47/51/63/850475163.db2.gz PHYWAEKHQUBQBF-HXUWFJFHSA-N 2 2 382.504 3.519 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1ccc(OC(C)C)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435431816 850489517 /nfs/dbraw/zinc/48/95/17/850489517.db2.gz GAYCXFLPIPJHAW-NRFANRHFSA-N 2 2 382.552 3.835 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1ccc(OC(C)C)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435431816 850489524 /nfs/dbraw/zinc/48/95/24/850489524.db2.gz GAYCXFLPIPJHAW-NRFANRHFSA-N 2 2 382.552 3.835 20 0 GHADLP CC(=O)N(c1nc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cs1)c1ccc(F)cc1 ZINC000414793524 850502504 /nfs/dbraw/zinc/50/25/04/850502504.db2.gz DNNSLDQYFFPLSE-KDOFPFPSSA-N 2 2 376.501 3.574 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000522598134 862151589 /nfs/dbraw/zinc/15/15/89/862151589.db2.gz QOZZCSGRDZOPQG-QGZVFWFLSA-N 2 2 381.524 3.524 20 0 GHADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000505129291 850653727 /nfs/dbraw/zinc/65/37/27/850653727.db2.gz OPHZFCRTUYHSPQ-HSZRJFAPSA-N 2 2 390.531 3.818 20 0 GHADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000505129291 850653731 /nfs/dbraw/zinc/65/37/31/850653731.db2.gz OPHZFCRTUYHSPQ-HSZRJFAPSA-N 2 2 390.531 3.818 20 0 GHADLP C[N@H+](CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435629186 850724969 /nfs/dbraw/zinc/72/49/69/850724969.db2.gz WYWTWZWYAZXBOF-IRLDBZIGSA-N 2 2 385.939 3.620 20 0 GHADLP C[N@@H+](CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435629186 850724974 /nfs/dbraw/zinc/72/49/74/850724974.db2.gz WYWTWZWYAZXBOF-IRLDBZIGSA-N 2 2 385.939 3.620 20 0 GHADLP CC[NH+](CC)CC1CC[NH+](Cc2nc(COc3cc(C)cc(C)c3)no2)CC1 ZINC000434625852 851380788 /nfs/dbraw/zinc/38/07/88/851380788.db2.gz WBQKKHZWENZWQS-UHFFFAOYSA-N 2 2 386.540 3.819 20 0 GHADLP Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)cc1 ZINC000488434233 851500227 /nfs/dbraw/zinc/50/02/27/851500227.db2.gz KRFSYLNJEPAATP-UHFFFAOYSA-N 2 2 398.576 3.865 20 0 GHADLP O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000101545115 851659272 /nfs/dbraw/zinc/65/92/72/851659272.db2.gz CBWCQWYKUNCDJM-KRWDZBQOSA-N 2 2 395.894 3.771 20 0 GHADLP O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000101545115 851659279 /nfs/dbraw/zinc/65/92/79/851659279.db2.gz CBWCQWYKUNCDJM-KRWDZBQOSA-N 2 2 395.894 3.771 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(Br)n2)[C@@H](C)C1 ZINC000925077298 851832057 /nfs/dbraw/zinc/83/20/57/851832057.db2.gz FHOFBSGCSWWBKH-JYJNAYRXSA-N 2 2 384.362 3.632 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(Br)n2)[C@@H](C)C1 ZINC000925077298 851832064 /nfs/dbraw/zinc/83/20/64/851832064.db2.gz FHOFBSGCSWWBKH-JYJNAYRXSA-N 2 2 384.362 3.632 20 0 GHADLP Cc1cc(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000664838628 851877854 /nfs/dbraw/zinc/87/78/54/851877854.db2.gz UACFSTWLPUCSMF-QFIPXVFZSA-N 2 2 396.535 3.544 20 0 GHADLP Cc1cc(NC(=O)C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000664838628 851877863 /nfs/dbraw/zinc/87/78/63/851877863.db2.gz UACFSTWLPUCSMF-QFIPXVFZSA-N 2 2 396.535 3.544 20 0 GHADLP CCC(CC)[C@@H](CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[NH+](C)C ZINC000438000564 851937016 /nfs/dbraw/zinc/93/70/16/851937016.db2.gz HNWZRZMBDWRCJU-LAUBAEHRSA-N 2 2 390.572 3.568 20 0 GHADLP COc1ccc([C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[NH+]2CCCCC2)cc1 ZINC000516338204 852435503 /nfs/dbraw/zinc/43/55/03/852435503.db2.gz AZLWHVNAVKGPFI-DHIUTWEWSA-N 2 2 395.547 3.641 20 0 GHADLP CCC[NH+](CCC)CCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507184788 852635302 /nfs/dbraw/zinc/63/53/02/852635302.db2.gz WPOYZMCPRZJZLR-LJQANCHMSA-N 2 2 389.588 3.621 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000437043267 852663757 /nfs/dbraw/zinc/66/37/57/852663757.db2.gz UOWPMEAENQHBPG-JOCHJYFZSA-N 2 2 386.584 3.657 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1Cl ZINC000507273616 852743241 /nfs/dbraw/zinc/74/32/41/852743241.db2.gz SWFMZADNARQTSO-OHRKKDJYSA-N 2 2 384.351 3.728 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1Cl ZINC000507273616 852743245 /nfs/dbraw/zinc/74/32/45/852743245.db2.gz SWFMZADNARQTSO-OHRKKDJYSA-N 2 2 384.351 3.728 20 0 GHADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)[C@@H](C)C2 ZINC000490158235 852797178 /nfs/dbraw/zinc/79/71/78/852797178.db2.gz QUBPWKJPZKQWCP-CYFREDJKSA-N 2 2 380.532 3.729 20 0 GHADLP C[C@H](CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)n1cc[nH+]c1 ZINC000516654544 852843806 /nfs/dbraw/zinc/84/38/06/852843806.db2.gz FNIMTRCENGNWIC-OAHLLOKOSA-N 2 2 394.441 3.634 20 0 GHADLP COc1cccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c1OC(C)C ZINC000518268841 853141235 /nfs/dbraw/zinc/14/12/35/853141235.db2.gz WXUIGHQHHPEOST-UHFFFAOYSA-N 2 2 397.563 3.784 20 0 GHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccc2c[nH+]cn2c1 ZINC000516958861 853203103 /nfs/dbraw/zinc/20/31/03/853203103.db2.gz QZEJWIFYOZDSKH-GOSISDBHSA-N 2 2 386.858 3.694 20 0 GHADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+]Cc2ccc3c(c2)CCCC3)c1 ZINC000490774413 853251941 /nfs/dbraw/zinc/25/19/41/853251941.db2.gz CKTZTUXXMCJGAD-UHFFFAOYSA-N 2 2 380.532 3.566 20 0 GHADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426335833 853500691 /nfs/dbraw/zinc/50/06/91/853500691.db2.gz QSEXNKKYWHWMLX-UDKICSLYSA-N 2 2 395.551 3.674 20 0 GHADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426335833 853500696 /nfs/dbraw/zinc/50/06/96/853500696.db2.gz QSEXNKKYWHWMLX-UDKICSLYSA-N 2 2 395.551 3.674 20 0 GHADLP C[NH+](C)CCC[C@H]1CN(c2[nH+]ccc3cc(Br)ccc32)CCO1 ZINC000664654677 853517584 /nfs/dbraw/zinc/51/75/84/853517584.db2.gz HHAIUDHURVZAIL-INIZCTEOSA-N 2 2 378.314 3.544 20 0 GHADLP FC(F)(F)c1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)[nH]n1 ZINC000517251839 853569839 /nfs/dbraw/zinc/56/98/39/853569839.db2.gz WMEAYDVKXOFDFJ-UHFFFAOYSA-N 2 2 378.442 3.917 20 0 GHADLP FC(F)(F)c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)[nH]n1 ZINC000517251839 853569845 /nfs/dbraw/zinc/56/98/45/853569845.db2.gz WMEAYDVKXOFDFJ-UHFFFAOYSA-N 2 2 378.442 3.917 20 0 GHADLP Cc1cscc1CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000426364954 853595147 /nfs/dbraw/zinc/59/51/47/853595147.db2.gz KBWOVCRMXBRUMN-WOJBJXKFSA-N 2 2 392.613 3.535 20 0 GHADLP Cc1cscc1CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000426364954 853595154 /nfs/dbraw/zinc/59/51/54/853595154.db2.gz KBWOVCRMXBRUMN-WOJBJXKFSA-N 2 2 392.613 3.535 20 0 GHADLP C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000570921565 853670069 /nfs/dbraw/zinc/67/00/69/853670069.db2.gz BUAHUCKDXRTCMG-HNNXBMFYSA-N 2 2 388.899 3.595 20 0 GHADLP Fc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1-n1cncn1 ZINC000571567166 853951098 /nfs/dbraw/zinc/95/10/98/853951098.db2.gz FJTKXIZACCONDL-QHCPKHFHSA-N 2 2 391.494 3.504 20 0 GHADLP Fc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1-n1cncn1 ZINC000571567166 853951103 /nfs/dbraw/zinc/95/11/03/853951103.db2.gz FJTKXIZACCONDL-QHCPKHFHSA-N 2 2 391.494 3.504 20 0 GHADLP Fc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1-n1cncn1 ZINC000571567166 853951108 /nfs/dbraw/zinc/95/11/08/853951108.db2.gz FJTKXIZACCONDL-QHCPKHFHSA-N 2 2 391.494 3.504 20 0 GHADLP Fc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1-n1cncn1 ZINC000571567166 853951111 /nfs/dbraw/zinc/95/11/11/853951111.db2.gz FJTKXIZACCONDL-QHCPKHFHSA-N 2 2 391.494 3.504 20 0 GHADLP C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000520380648 854149902 /nfs/dbraw/zinc/14/99/02/854149902.db2.gz FMWCDGAYGXTCSZ-HRAATJIYSA-N 2 2 385.939 3.506 20 0 GHADLP C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000520380648 854149907 /nfs/dbraw/zinc/14/99/07/854149907.db2.gz FMWCDGAYGXTCSZ-HRAATJIYSA-N 2 2 385.939 3.506 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NCC2CCCCC2)c(C)c1 ZINC000441377352 854198516 /nfs/dbraw/zinc/19/85/16/854198516.db2.gz AVVMHFPUXZTSFI-DENIHFKCSA-N 2 2 382.552 3.916 20 0 GHADLP Cc1c2ccc3ccccc3c2oc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000112921370 854361782 /nfs/dbraw/zinc/36/17/82/854361782.db2.gz VKSJOLHTTIJBDS-UHFFFAOYSA-N 2 2 393.531 3.992 20 0 GHADLP Cc1c2ccc3ccccc3c2oc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000112921370 854361789 /nfs/dbraw/zinc/36/17/89/854361789.db2.gz VKSJOLHTTIJBDS-UHFFFAOYSA-N 2 2 393.531 3.992 20 0 GHADLP CC(C)Cn1ccc2cc(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)ccc21 ZINC000112681629 854764793 /nfs/dbraw/zinc/76/47/93/854764793.db2.gz VKWRAMKMFQLKQE-UHFFFAOYSA-N 2 2 399.583 3.787 20 0 GHADLP CC(C)Cn1ccc2cc(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)ccc21 ZINC000112681629 854764795 /nfs/dbraw/zinc/76/47/95/854764795.db2.gz VKWRAMKMFQLKQE-UHFFFAOYSA-N 2 2 399.583 3.787 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(F)c(Cl)cc1Cl ZINC000482023536 862618055 /nfs/dbraw/zinc/61/80/55/862618055.db2.gz BDHPCRZHJRADJP-SJCJKPOMSA-N 2 2 390.330 3.726 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(F)c(Cl)cc1Cl ZINC000482023536 862618060 /nfs/dbraw/zinc/61/80/60/862618060.db2.gz BDHPCRZHJRADJP-SJCJKPOMSA-N 2 2 390.330 3.726 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3ccccc3C[N@H+]3CCC[C@@H](C)C3)[nH+]c12 ZINC000624580030 854917499 /nfs/dbraw/zinc/91/74/99/854917499.db2.gz MAIMHRQITMTFQD-GOSISDBHSA-N 2 2 390.531 3.734 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3ccccc3C[N@@H+]3CCC[C@@H](C)C3)[nH+]c12 ZINC000624580030 854917506 /nfs/dbraw/zinc/91/75/06/854917506.db2.gz MAIMHRQITMTFQD-GOSISDBHSA-N 2 2 390.531 3.734 20 0 GHADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000572709778 854943369 /nfs/dbraw/zinc/94/33/69/854943369.db2.gz REWOADQUNPTFAR-BJLQDIEVSA-N 2 2 390.535 3.736 20 0 GHADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2)c1 ZINC000572709778 854943381 /nfs/dbraw/zinc/94/33/81/854943381.db2.gz REWOADQUNPTFAR-BJLQDIEVSA-N 2 2 390.535 3.736 20 0 GHADLP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000556988138 881344379 /nfs/dbraw/zinc/34/43/79/881344379.db2.gz ZMIFRCWDAYXTBU-QFIPXVFZSA-N 2 2 399.498 3.610 20 0 GHADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000127955644 855029577 /nfs/dbraw/zinc/02/95/77/855029577.db2.gz AJKFSJXUBDMEKV-WCQYABFASA-N 2 2 390.380 3.609 20 0 GHADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000127955644 855029585 /nfs/dbraw/zinc/02/95/85/855029585.db2.gz AJKFSJXUBDMEKV-WCQYABFASA-N 2 2 390.380 3.609 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000624086512 862635355 /nfs/dbraw/zinc/63/53/55/862635355.db2.gz JBEMOMUIGRFTGV-PWHSHALESA-N 2 2 395.547 3.817 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000624086512 862635361 /nfs/dbraw/zinc/63/53/61/862635361.db2.gz JBEMOMUIGRFTGV-PWHSHALESA-N 2 2 395.547 3.817 20 0 GHADLP Cn1ccc([C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)c2ccc(Cl)cc2)n1 ZINC000542672312 855066396 /nfs/dbraw/zinc/06/63/96/855066396.db2.gz YJOCNTDPAIDBGS-QFIPXVFZSA-N 2 2 398.938 3.893 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536371452 855169044 /nfs/dbraw/zinc/16/90/44/855169044.db2.gz WYKRALJNIOMLJH-JKSUJKDBSA-N 2 2 386.927 3.877 20 0 GHADLP CN(C(=O)Nc1ccc(Cl)cn1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165541349 855323552 /nfs/dbraw/zinc/32/35/52/855323552.db2.gz SBZXBSPEMUVOGH-MSOLQXFVSA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1ccc(Cl)cn1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165541349 855323556 /nfs/dbraw/zinc/32/35/56/855323556.db2.gz SBZXBSPEMUVOGH-MSOLQXFVSA-N 2 2 393.963 3.536 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000282504706 862689987 /nfs/dbraw/zinc/68/99/87/862689987.db2.gz NXIPNEIFWKRPHV-CTNGQTDRSA-N 2 2 392.547 3.561 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000282504706 862689994 /nfs/dbraw/zinc/68/99/94/862689994.db2.gz NXIPNEIFWKRPHV-CTNGQTDRSA-N 2 2 392.547 3.561 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000237185964 855607552 /nfs/dbraw/zinc/60/75/52/855607552.db2.gz JGEPNQVQKAEARK-QZTJIDSGSA-N 2 2 378.923 3.995 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590851752 855615005 /nfs/dbraw/zinc/61/50/05/855615005.db2.gz JUXJNEIRLLOEOB-KNQAVFIVSA-N 2 2 395.551 3.804 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590851752 855615009 /nfs/dbraw/zinc/61/50/09/855615009.db2.gz JUXJNEIRLLOEOB-KNQAVFIVSA-N 2 2 395.551 3.804 20 0 GHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000590851776 855615558 /nfs/dbraw/zinc/61/55/58/855615558.db2.gz MNQUUPFYCFGUKF-JOCHJYFZSA-N 2 2 395.551 3.662 20 0 GHADLP C[C@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000591080032 855749963 /nfs/dbraw/zinc/74/99/63/855749963.db2.gz CSRYFTBCJCVOFN-ZIAGYGMSSA-N 2 2 388.581 3.856 20 0 GHADLP CN(CCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cc[nH+]cc1 ZINC000542785799 855793736 /nfs/dbraw/zinc/79/37/36/855793736.db2.gz RIVFWRVTCXIAPN-UHFFFAOYSA-N 2 2 375.476 3.746 20 0 GHADLP Cc1ccc(-c2csc(NC(=O)C[N@H+](C)CCCn3cc[nH+]c3)n2)cc1C ZINC000181080370 862742609 /nfs/dbraw/zinc/74/26/09/862742609.db2.gz GUZFCRWULPZGLA-UHFFFAOYSA-N 2 2 383.521 3.584 20 0 GHADLP Cc1ccc(-c2csc(NC(=O)C[N@@H+](C)CCCn3cc[nH+]c3)n2)cc1C ZINC000181080370 862742617 /nfs/dbraw/zinc/74/26/17/862742617.db2.gz GUZFCRWULPZGLA-UHFFFAOYSA-N 2 2 383.521 3.584 20 0 GHADLP C[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1c[nH]c2ccccc21 ZINC000573417415 856111797 /nfs/dbraw/zinc/11/17/97/856111797.db2.gz PTFXUEZJIKQQTB-IBGZPJMESA-N 2 2 396.579 3.728 20 0 GHADLP c1ccc(N2CC[NH+](CCC[NH+]3CCC4(CC3)OCc3ccccc34)CC2)cc1 ZINC000671683517 856370515 /nfs/dbraw/zinc/37/05/15/856370515.db2.gz BPGXIZBYAZWVEM-UHFFFAOYSA-N 2 2 391.559 3.720 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156563867 856465503 /nfs/dbraw/zinc/46/55/03/856465503.db2.gz OISFBUJVZPOWSX-KEYYUXOJSA-N 2 2 391.313 3.556 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156563867 856465508 /nfs/dbraw/zinc/46/55/08/856465508.db2.gz OISFBUJVZPOWSX-KEYYUXOJSA-N 2 2 391.313 3.556 20 0 GHADLP CN1C(=O)C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000507834202 856546189 /nfs/dbraw/zinc/54/61/89/856546189.db2.gz PUWDAWXMSCRGJE-PZJWPPBQSA-N 2 2 380.879 3.587 20 0 GHADLP C[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[NH+]1[C@H](C)CC[C@H]1C ZINC000508193135 857051556 /nfs/dbraw/zinc/05/15/56/857051556.db2.gz JNCIHGOPYHCWBL-ZACQAIPSSA-N 2 2 398.576 3.901 20 0 GHADLP C[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[NH+]1[C@H](C)CC[C@H]1C ZINC000508193135 857051560 /nfs/dbraw/zinc/05/15/60/857051560.db2.gz JNCIHGOPYHCWBL-ZACQAIPSSA-N 2 2 398.576 3.901 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000665255331 857098305 /nfs/dbraw/zinc/09/83/05/857098305.db2.gz PCOQWOXZMJNFIY-HNKPZJSLSA-N 2 2 393.531 3.766 20 0 GHADLP C[C@H]1CN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001128960619 857100706 /nfs/dbraw/zinc/10/07/06/857100706.db2.gz BISNWZDKAOMACV-GCJKJVERSA-N 2 2 399.966 3.923 20 0 GHADLP C[C@H]1CN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001128960619 857100715 /nfs/dbraw/zinc/10/07/15/857100715.db2.gz BISNWZDKAOMACV-GCJKJVERSA-N 2 2 399.966 3.923 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000112680834 857182105 /nfs/dbraw/zinc/18/21/05/857182105.db2.gz XUSBGLFPSGKUFC-UHFFFAOYSA-N 2 2 396.535 3.969 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000112680834 857182112 /nfs/dbraw/zinc/18/21/12/857182112.db2.gz XUSBGLFPSGKUFC-UHFFFAOYSA-N 2 2 396.535 3.969 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CC(=O)Nc2ccccc2C)cc1F ZINC000665258833 857203756 /nfs/dbraw/zinc/20/37/56/857203756.db2.gz MXOPOMNQRVMSRQ-MMOPVJDHSA-N 2 2 399.510 3.595 20 0 GHADLP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658296890 857279716 /nfs/dbraw/zinc/27/97/16/857279716.db2.gz WOAWIAHDHSSBEU-PMACEKPBSA-N 2 2 395.385 3.859 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000593293279 857456152 /nfs/dbraw/zinc/45/61/52/857456152.db2.gz PDVBYDSRTBWCNP-RBBKRZOGSA-N 2 2 384.499 3.707 20 0 GHADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000593293279 857456160 /nfs/dbraw/zinc/45/61/60/857456160.db2.gz PDVBYDSRTBWCNP-RBBKRZOGSA-N 2 2 384.499 3.707 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000675532452 857487180 /nfs/dbraw/zinc/48/71/80/857487180.db2.gz ONXPHEPARNJSJP-IAGOWNOFSA-N 2 2 377.492 3.612 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1ccc(F)cc1 ZINC000521062599 857573294 /nfs/dbraw/zinc/57/32/94/857573294.db2.gz SONXWGOWIGBOOK-OALUTQOASA-N 2 2 377.891 3.501 20 0 GHADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cnn1-c1ccc(F)cc1 ZINC000675880871 857659390 /nfs/dbraw/zinc/65/93/90/857659390.db2.gz ICTISKYFSCJMDJ-HRAATJIYSA-N 2 2 386.515 3.614 20 0 GHADLP COC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(C(F)(F)F)c1 ZINC000675883299 857660309 /nfs/dbraw/zinc/66/03/09/857660309.db2.gz ZJLZIEANUIZNAE-RTBURBONSA-N 2 2 386.458 3.626 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CCCn2cc(Br)cn2)C[N@@H+]1Cc1ccccc1 ZINC000672804766 857725838 /nfs/dbraw/zinc/72/58/38/857725838.db2.gz UJYADASANIKUGM-GOSISDBHSA-N 2 2 391.357 3.678 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CCCn2cc(Br)cn2)C[N@H+]1Cc1ccccc1 ZINC000672804766 857725841 /nfs/dbraw/zinc/72/58/41/857725841.db2.gz UJYADASANIKUGM-GOSISDBHSA-N 2 2 391.357 3.678 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nc3ccccc3o2)CC1 ZINC000181637710 862950481 /nfs/dbraw/zinc/95/04/81/862950481.db2.gz ASJQBOIJXRBKRI-INIZCTEOSA-N 2 2 382.483 3.960 20 0 GHADLP O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000065917353 857876900 /nfs/dbraw/zinc/87/69/00/857876900.db2.gz PCKOZMYQNQXZKF-UHFFFAOYSA-N 2 2 380.536 3.706 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C2CC2)cc1 ZINC000676476788 857898983 /nfs/dbraw/zinc/89/89/83/857898983.db2.gz BFMLXTSMIAMKKN-QFIPXVFZSA-N 2 2 380.536 3.835 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C2CC2)cc1 ZINC000676476788 857898988 /nfs/dbraw/zinc/89/89/88/857898988.db2.gz BFMLXTSMIAMKKN-QFIPXVFZSA-N 2 2 380.536 3.835 20 0 GHADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(Oc2ccccc2)cn1 ZINC000521607562 858168174 /nfs/dbraw/zinc/16/81/74/858168174.db2.gz YPXGNPGZRWAAQQ-KRWDZBQOSA-N 2 2 375.476 3.852 20 0 GHADLP C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000543080829 858233608 /nfs/dbraw/zinc/23/36/08/858233608.db2.gz HVAMENFKXXKAOU-PZJWPPBQSA-N 2 2 384.593 3.608 20 0 GHADLP C[C@@H](Cc1ccsc1)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000543080829 858233614 /nfs/dbraw/zinc/23/36/14/858233614.db2.gz HVAMENFKXXKAOU-PZJWPPBQSA-N 2 2 384.593 3.608 20 0 GHADLP C[N@H+](Cc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(F)cc1)C1CCCCC1 ZINC000066939997 858366819 /nfs/dbraw/zinc/36/68/19/858366819.db2.gz NSIYAKWCHAFBFR-QFIPXVFZSA-N 2 2 383.511 3.906 20 0 GHADLP C[N@@H+](Cc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(F)cc1)C1CCCCC1 ZINC000066939997 858366824 /nfs/dbraw/zinc/36/68/24/858366824.db2.gz NSIYAKWCHAFBFR-QFIPXVFZSA-N 2 2 383.511 3.906 20 0 GHADLP CSC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000595102160 858405784 /nfs/dbraw/zinc/40/57/84/858405784.db2.gz KTYUJWMEUKVOFM-QZTJIDSGSA-N 2 2 388.499 3.952 20 0 GHADLP Clc1cc(Br)ccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000521929541 858454549 /nfs/dbraw/zinc/45/45/49/858454549.db2.gz ZSSYJQWDMGRKMS-UHFFFAOYSA-N 2 2 387.749 3.647 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000482643620 858718098 /nfs/dbraw/zinc/71/80/98/858718098.db2.gz PWPQBZWHNKGLPR-OXJNMPFZSA-N 2 2 385.483 3.608 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000482643620 858718103 /nfs/dbraw/zinc/71/81/03/858718103.db2.gz PWPQBZWHNKGLPR-OXJNMPFZSA-N 2 2 385.483 3.608 20 0 GHADLP Cc1ccccc1COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000482648084 858722152 /nfs/dbraw/zinc/72/21/52/858722152.db2.gz QFFQOAMPHOTXCO-WMZHIEFXSA-N 2 2 395.547 3.564 20 0 GHADLP Cc1ccccc1COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000482648084 858722157 /nfs/dbraw/zinc/72/21/57/858722157.db2.gz QFFQOAMPHOTXCO-WMZHIEFXSA-N 2 2 395.547 3.564 20 0 GHADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](Cc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000482654574 858735611 /nfs/dbraw/zinc/73/56/11/858735611.db2.gz JPMWSEGVMVRJDH-LPHOPBHVSA-N 2 2 385.310 3.928 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc2ccccc2s1 ZINC000184377347 858923800 /nfs/dbraw/zinc/92/38/00/858923800.db2.gz XBFJIASVOQQCTQ-SJORKVTESA-N 2 2 394.544 3.684 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543238129 858989685 /nfs/dbraw/zinc/98/96/85/858989685.db2.gz FCRMMJQXODCNTF-WIYYLYMNSA-N 3 2 375.520 3.576 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543238129 858989690 /nfs/dbraw/zinc/98/96/90/858989690.db2.gz FCRMMJQXODCNTF-WIYYLYMNSA-N 3 2 375.520 3.576 20 0 GHADLP C[NH+](C)CC1(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CCCC1 ZINC000185173929 859052426 /nfs/dbraw/zinc/05/24/26/859052426.db2.gz XIPXJSCXBVZUTR-NHCUHLMSSA-N 2 2 395.551 3.533 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000185212185 859057022 /nfs/dbraw/zinc/05/70/22/859057022.db2.gz XGBLABLKZNMEFQ-UHFFFAOYSA-N 2 2 378.451 3.829 20 0 GHADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000479432500 859071056 /nfs/dbraw/zinc/07/10/56/859071056.db2.gz QSUXPFUVVSSDOT-IRLDBZIGSA-N 2 2 396.531 3.572 20 0 GHADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000479432500 859071064 /nfs/dbraw/zinc/07/10/64/859071064.db2.gz QSUXPFUVVSSDOT-IRLDBZIGSA-N 2 2 396.531 3.572 20 0 GHADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000479432502 859071324 /nfs/dbraw/zinc/07/13/24/859071324.db2.gz QSUXPFUVVSSDOT-UNMCSNQZSA-N 2 2 396.531 3.572 20 0 GHADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000479432502 859071326 /nfs/dbraw/zinc/07/13/26/859071326.db2.gz QSUXPFUVVSSDOT-UNMCSNQZSA-N 2 2 396.531 3.572 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)[C@@H](C)C1 ZINC000483133845 859171992 /nfs/dbraw/zinc/17/19/92/859171992.db2.gz JXORRTSHPZYFLW-IMSXRSKXSA-N 3 2 387.612 3.939 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)[C@@H](C)C1 ZINC000483133845 859172001 /nfs/dbraw/zinc/17/20/01/859172001.db2.gz JXORRTSHPZYFLW-IMSXRSKXSA-N 3 2 387.612 3.939 20 0 GHADLP CNc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000625929978 859176848 /nfs/dbraw/zinc/17/68/48/859176848.db2.gz DNMSUZYMHDENHB-NHCUHLMSSA-N 2 2 387.572 3.529 20 0 GHADLP CNc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000625929978 859176856 /nfs/dbraw/zinc/17/68/56/859176856.db2.gz DNMSUZYMHDENHB-NHCUHLMSSA-N 2 2 387.572 3.529 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1nnn(-c3cccc(Cl)c3)c1C)CCC2 ZINC000483443600 859377929 /nfs/dbraw/zinc/37/79/29/859377929.db2.gz DDDKCTDIFPSSQY-HOCLYGCPSA-N 2 2 384.915 3.962 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@]3(CCN(c4cc(N5CCCCC5)[nH+]cn4)C3)C2)cc1 ZINC000474176933 859529642 /nfs/dbraw/zinc/52/96/42/859529642.db2.gz NBLZULJCISRURE-DEOSSOPVSA-N 2 2 391.563 3.959 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@]3(CCN(c4cc(N5CCCCC5)[nH+]cn4)C3)C2)cc1 ZINC000474176933 859529654 /nfs/dbraw/zinc/52/96/54/859529654.db2.gz NBLZULJCISRURE-DEOSSOPVSA-N 2 2 391.563 3.959 20 0 GHADLP CCc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000543404815 859606655 /nfs/dbraw/zinc/60/66/55/859606655.db2.gz TUKMHCGGKLHSHC-DEOSSOPVSA-N 2 2 390.531 3.598 20 0 GHADLP Cn1ccnc1[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccc1 ZINC000764811259 859626564 /nfs/dbraw/zinc/62/65/64/859626564.db2.gz XVOBZFLTWANUHZ-QHCPKHFHSA-N 2 2 389.547 3.834 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]C3CCC4(CCOCC4)CC3)CC2)cc1 ZINC000532211058 881444551 /nfs/dbraw/zinc/44/45/51/881444551.db2.gz IXGGDDLWSNLLDN-UHFFFAOYSA-N 2 2 399.623 3.913 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](c3ccc(F)cc3)c3cccnc3)[nH+]c2)C1 ZINC000543427083 859681410 /nfs/dbraw/zinc/68/14/10/859681410.db2.gz RWYZUCDTYGUQBB-GGAORHGYSA-N 2 2 391.494 3.958 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000765034836 859740817 /nfs/dbraw/zinc/74/08/17/859740817.db2.gz JAULAEWTJHWBRI-KRWDZBQOSA-N 2 2 392.547 3.957 20 0 GHADLP O[C@]1(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484137285 859845566 /nfs/dbraw/zinc/84/55/66/859845566.db2.gz CSZBWIXUUFMWOO-IRLDBZIGSA-N 2 2 386.923 3.780 20 0 GHADLP O[C@]1(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484137285 859845570 /nfs/dbraw/zinc/84/55/70/859845570.db2.gz CSZBWIXUUFMWOO-IRLDBZIGSA-N 2 2 386.923 3.780 20 0 GHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000765363728 859928687 /nfs/dbraw/zinc/92/86/87/859928687.db2.gz LXUDTYNQJVGCIU-CRAIPNDOSA-N 2 2 376.545 3.550 20 0 GHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000765363728 859928698 /nfs/dbraw/zinc/92/86/98/859928698.db2.gz LXUDTYNQJVGCIU-CRAIPNDOSA-N 2 2 376.545 3.550 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccnn1-c1ccccc1 ZINC000281283757 860210842 /nfs/dbraw/zinc/21/08/42/860210842.db2.gz QAKYLCSCHLIZEO-IBGZPJMESA-N 2 2 376.504 3.555 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000602813874 860310686 /nfs/dbraw/zinc/31/06/86/860310686.db2.gz ZVBCXIXFPFBOIF-MNZLEMJZSA-N 2 2 387.549 3.566 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000602813874 860310691 /nfs/dbraw/zinc/31/06/91/860310691.db2.gz ZVBCXIXFPFBOIF-MNZLEMJZSA-N 2 2 387.549 3.566 20 0 GHADLP Cc1ccc([C@H](CN[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[NH+]2CCCC2)o1 ZINC000765606167 860316022 /nfs/dbraw/zinc/31/60/22/860316022.db2.gz BOIDUYONTMJVER-SSPYTLHUSA-N 2 2 397.563 3.604 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CCCO2 ZINC000191832881 860360939 /nfs/dbraw/zinc/36/09/39/860360939.db2.gz HJFQGAMPJMQQFY-GGAORHGYSA-N 2 2 396.531 3.790 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCCO2 ZINC000191832881 860360948 /nfs/dbraw/zinc/36/09/48/860360948.db2.gz HJFQGAMPJMQQFY-GGAORHGYSA-N 2 2 396.531 3.790 20 0 GHADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191837741 860375191 /nfs/dbraw/zinc/37/51/91/860375191.db2.gz RBBLCQIAVPPRQR-IFMALSPDSA-N 2 2 395.547 3.593 20 0 GHADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191837741 860375199 /nfs/dbraw/zinc/37/51/99/860375199.db2.gz RBBLCQIAVPPRQR-IFMALSPDSA-N 2 2 395.547 3.593 20 0 GHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000474610943 860491290 /nfs/dbraw/zinc/49/12/90/860491290.db2.gz HWZQNNXQRJVTIH-WOJBJXKFSA-N 2 2 398.547 3.688 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000922712458 860518068 /nfs/dbraw/zinc/51/80/68/860518068.db2.gz AGAORQRJMJMMAC-MRXNPFEDSA-N 2 2 378.442 3.726 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000922712458 860518074 /nfs/dbraw/zinc/51/80/74/860518074.db2.gz AGAORQRJMJMMAC-MRXNPFEDSA-N 2 2 378.442 3.726 20 0 GHADLP COC(=O)[C@H](C)Oc1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000921588451 860537046 /nfs/dbraw/zinc/53/70/46/860537046.db2.gz HOPIGVRWHODVQN-HNNXBMFYSA-N 2 2 397.450 3.550 20 0 GHADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000428993721 860631054 /nfs/dbraw/zinc/63/10/54/860631054.db2.gz ARGNJNUYYNSGNE-QUCCMNQESA-N 2 2 396.362 3.685 20 0 GHADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000428993721 860631057 /nfs/dbraw/zinc/63/10/57/860631057.db2.gz ARGNJNUYYNSGNE-QUCCMNQESA-N 2 2 396.362 3.685 20 0 GHADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000428993721 860631062 /nfs/dbraw/zinc/63/10/62/860631062.db2.gz ARGNJNUYYNSGNE-QUCCMNQESA-N 2 2 396.362 3.685 20 0 GHADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000428993721 860631066 /nfs/dbraw/zinc/63/10/66/860631066.db2.gz ARGNJNUYYNSGNE-QUCCMNQESA-N 2 2 396.362 3.685 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3coc(-c4cccs4)n3)C2)ccn1 ZINC000856592412 881563716 /nfs/dbraw/zinc/56/37/16/881563716.db2.gz HIMITNVRGBSANK-LJQANCHMSA-N 2 2 398.532 3.903 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3coc(-c4cccs4)n3)C2)ccn1 ZINC000856592412 881563725 /nfs/dbraw/zinc/56/37/25/881563725.db2.gz HIMITNVRGBSANK-LJQANCHMSA-N 2 2 398.532 3.903 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3coc(-c4cccs4)n3)C2)ccn1 ZINC000856592412 881563728 /nfs/dbraw/zinc/56/37/28/881563728.db2.gz HIMITNVRGBSANK-LJQANCHMSA-N 2 2 398.532 3.903 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3coc(-c4cccs4)n3)C2)ccn1 ZINC000856592412 881563734 /nfs/dbraw/zinc/56/37/34/881563734.db2.gz HIMITNVRGBSANK-LJQANCHMSA-N 2 2 398.532 3.903 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(-c4cccs4)on3)C2)ccn1 ZINC000856594059 881567013 /nfs/dbraw/zinc/56/70/13/881567013.db2.gz XVQWEUGTVPRTDV-LJQANCHMSA-N 2 2 398.532 3.903 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(-c4cccs4)on3)C2)ccn1 ZINC000856594059 881567018 /nfs/dbraw/zinc/56/70/18/881567018.db2.gz XVQWEUGTVPRTDV-LJQANCHMSA-N 2 2 398.532 3.903 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(-c4cccs4)on3)C2)ccn1 ZINC000856594059 881567024 /nfs/dbraw/zinc/56/70/24/881567024.db2.gz XVQWEUGTVPRTDV-LJQANCHMSA-N 2 2 398.532 3.903 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(-c4cccs4)on3)C2)ccn1 ZINC000856594059 881567030 /nfs/dbraw/zinc/56/70/30/881567030.db2.gz XVQWEUGTVPRTDV-LJQANCHMSA-N 2 2 398.532 3.903 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1C ZINC000598962265 860691850 /nfs/dbraw/zinc/69/18/50/860691850.db2.gz UAJKNTVBHSJATK-IBGZPJMESA-N 2 2 380.492 3.615 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)NCCCCn2cc[nH+]c2)CCCC1)c1ccccc1 ZINC000603592669 860881107 /nfs/dbraw/zinc/88/11/07/860881107.db2.gz BTTFWBHKUBUESG-LJQANCHMSA-N 2 2 383.540 3.626 20 0 GHADLP CCOC(=O)c1cccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000600118907 861026742 /nfs/dbraw/zinc/02/67/42/861026742.db2.gz FHYPFMNZOPYWGG-WIYYLYMNSA-N 2 2 381.520 3.743 20 0 GHADLP CCOC(=O)c1cccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000600118907 861026749 /nfs/dbraw/zinc/02/67/49/861026749.db2.gz FHYPFMNZOPYWGG-WIYYLYMNSA-N 2 2 381.520 3.743 20 0 GHADLP CCOC(=O)c1cccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000600118907 861026760 /nfs/dbraw/zinc/02/67/60/861026760.db2.gz FHYPFMNZOPYWGG-WIYYLYMNSA-N 2 2 381.520 3.743 20 0 GHADLP CCOC(=O)c1cccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000600118907 861026771 /nfs/dbraw/zinc/02/67/71/861026771.db2.gz FHYPFMNZOPYWGG-WIYYLYMNSA-N 2 2 381.520 3.743 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3csc(C(F)(F)F)c3)[nH+]c2)CC1 ZINC000623454504 861083985 /nfs/dbraw/zinc/08/39/85/861083985.db2.gz HWGXYDNHGBWWOT-UHFFFAOYSA-N 2 2 384.471 3.726 20 0 GHADLP CC(=O)[C@H](C)CCCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000555509910 861109190 /nfs/dbraw/zinc/10/91/90/861109190.db2.gz HPGOMVZJJUTJGJ-STZQEDGTSA-N 2 2 393.616 3.568 20 0 GHADLP CC(=O)[C@H](C)CCCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000555509910 861109198 /nfs/dbraw/zinc/10/91/98/861109198.db2.gz HPGOMVZJJUTJGJ-STZQEDGTSA-N 2 2 393.616 3.568 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000062427029 863375259 /nfs/dbraw/zinc/37/52/59/863375259.db2.gz GBNAHRBMAFXBGZ-KRWDZBQOSA-N 2 2 378.923 3.852 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000062427029 863375279 /nfs/dbraw/zinc/37/52/79/863375279.db2.gz GBNAHRBMAFXBGZ-KRWDZBQOSA-N 2 2 378.923 3.852 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000090003650 881659092 /nfs/dbraw/zinc/65/90/92/881659092.db2.gz LGNOZZXDUMGNHU-HXUWFJFHSA-N 2 2 380.536 3.501 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000090003650 881659101 /nfs/dbraw/zinc/65/91/01/881659101.db2.gz LGNOZZXDUMGNHU-HXUWFJFHSA-N 2 2 380.536 3.501 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC(C)(C)C1 ZINC000444102618 863423135 /nfs/dbraw/zinc/42/31/35/863423135.db2.gz FXKUGVFJZKAFGU-RTBURBONSA-N 2 2 392.632 3.697 20 0 GHADLP [NH3+]Cc1cc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)co1 ZINC000444171858 863590526 /nfs/dbraw/zinc/59/05/26/863590526.db2.gz QFBAVPUMSSFXSW-UHFFFAOYSA-N 2 2 399.491 3.564 20 0 GHADLP CCc1ccc(C[NH+]2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)s1 ZINC000606395581 863598883 /nfs/dbraw/zinc/59/88/83/863598883.db2.gz WDKSNPOFYQCBEK-UHFFFAOYSA-N 2 2 397.588 3.864 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444201521 863659415 /nfs/dbraw/zinc/65/94/15/863659415.db2.gz YUJHLPUXRRAPOI-DLBZAZTESA-N 2 2 395.950 3.634 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444201521 863659424 /nfs/dbraw/zinc/65/94/24/863659424.db2.gz YUJHLPUXRRAPOI-DLBZAZTESA-N 2 2 395.950 3.634 20 0 GHADLP C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158588824 863881305 /nfs/dbraw/zinc/88/13/05/863881305.db2.gz ZRXTVSDLIXZWHR-MBSDFSHPSA-N 2 2 394.494 3.736 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccn(-c3ccccc3)n2)CC1 ZINC000532295835 881705674 /nfs/dbraw/zinc/70/56/74/881705674.db2.gz HKWWUNJXQZTVDY-UHFFFAOYSA-N 2 2 389.547 3.694 20 0 GHADLP C[N@H+](Cc1ccc2nc(NC(=O)NCCCCn3cc[nH+]c3)sc2c1)C1CC1 ZINC000667611136 863931033 /nfs/dbraw/zinc/93/10/33/863931033.db2.gz CSAAQJOKPWFXAV-UHFFFAOYSA-N 2 2 398.536 3.689 20 0 GHADLP C[N@@H+](Cc1ccc2nc(NC(=O)NCCCCn3cc[nH+]c3)sc2c1)C1CC1 ZINC000667611136 863931041 /nfs/dbraw/zinc/93/10/41/863931041.db2.gz CSAAQJOKPWFXAV-UHFFFAOYSA-N 2 2 398.536 3.689 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000158795890 863954904 /nfs/dbraw/zinc/95/49/04/863954904.db2.gz FHSURSCTFSSJQP-VJBMBRPKSA-N 2 2 393.531 3.791 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000158795890 863954921 /nfs/dbraw/zinc/95/49/21/863954921.db2.gz FHSURSCTFSSJQP-VJBMBRPKSA-N 2 2 393.531 3.791 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000158795890 863954944 /nfs/dbraw/zinc/95/49/44/863954944.db2.gz FHSURSCTFSSJQP-VJBMBRPKSA-N 2 2 393.531 3.791 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000158795890 863954955 /nfs/dbraw/zinc/95/49/55/863954955.db2.gz FHSURSCTFSSJQP-VJBMBRPKSA-N 2 2 393.531 3.791 20 0 GHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000607281847 864237726 /nfs/dbraw/zinc/23/77/26/864237726.db2.gz QCKKMDLOMWOTPJ-FCHUYYIVSA-N 2 2 395.547 3.978 20 0 GHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000607281847 864237737 /nfs/dbraw/zinc/23/77/37/864237737.db2.gz QCKKMDLOMWOTPJ-FCHUYYIVSA-N 2 2 395.547 3.978 20 0 GHADLP CC(C)CCOc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000607366823 864352019 /nfs/dbraw/zinc/35/20/19/864352019.db2.gz WHXNVLQWXZGBKV-DEOSSOPVSA-N 2 2 382.548 3.838 20 0 GHADLP CC(C)CCOc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000607366823 864352029 /nfs/dbraw/zinc/35/20/29/864352029.db2.gz WHXNVLQWXZGBKV-DEOSSOPVSA-N 2 2 382.548 3.838 20 0 GHADLP COc1ccc(N2CC[NH+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)CC2)nc1 ZINC001168058282 864459579 /nfs/dbraw/zinc/45/95/79/864459579.db2.gz PYBKPIJARURLGP-PMACEKPBSA-N 2 2 394.563 3.654 20 0 GHADLP C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@H]1c1cccs1 ZINC000554580926 864593497 /nfs/dbraw/zinc/59/34/97/864593497.db2.gz SVVOOIHWDLLKQK-CTNGQTDRSA-N 2 2 394.544 3.806 20 0 GHADLP C[N@H+]1CCC[C@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@H]1c1cccs1 ZINC000554580926 864593501 /nfs/dbraw/zinc/59/35/01/864593501.db2.gz SVVOOIHWDLLKQK-CTNGQTDRSA-N 2 2 394.544 3.806 20 0 GHADLP CN(C(=O)Nc1cc(F)cc(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165544867 864682757 /nfs/dbraw/zinc/68/27/57/864682757.db2.gz NVYHGUNXSCJHFN-UXHICEINSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1cc(F)cc(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165544867 864682762 /nfs/dbraw/zinc/68/27/62/864682762.db2.gz NVYHGUNXSCJHFN-UXHICEINSA-N 2 2 394.510 3.766 20 0 GHADLP CC(C)[NH2+]CCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000166672366 864748745 /nfs/dbraw/zinc/74/87/45/864748745.db2.gz PWEICPWILXXILC-UHFFFAOYSA-N 2 2 376.504 3.603 20 0 GHADLP COc1cc2ccccc2cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000607876402 864785233 /nfs/dbraw/zinc/78/52/33/864785233.db2.gz LCERFQOZKLFJSS-UHFFFAOYSA-N 2 2 395.547 3.529 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000554720663 864792191 /nfs/dbraw/zinc/79/21/91/864792191.db2.gz UGCVIOXCQULQOZ-KNQAVFIVSA-N 2 2 388.515 3.757 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000716229932 864919729 /nfs/dbraw/zinc/91/97/29/864919729.db2.gz PCXJKADUFFOFRA-HXUWFJFHSA-N 2 2 387.568 3.886 20 0 GHADLP COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(OCC[NH+](C)C)cc3)n2)c1 ZINC000608072471 864963747 /nfs/dbraw/zinc/96/37/47/864963747.db2.gz PMDLURKDMARHSE-INIZCTEOSA-N 2 2 396.491 3.536 20 0 GHADLP CCC[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(C[NH+](CC)CC)CC2)C1 ZINC000738070585 865478633 /nfs/dbraw/zinc/47/86/33/865478633.db2.gz IZGQCYZMPIGFBP-QGZVFWFLSA-N 2 2 379.614 3.826 20 0 GHADLP Cc1cc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)nc(C)[nH+]1 ZINC000301677749 865490871 /nfs/dbraw/zinc/49/08/71/865490871.db2.gz RJQBXWZXZIMHGQ-UHFFFAOYSA-N 2 2 375.314 3.932 20 0 GHADLP CC[N@H+](C[C@@H](O)c1cc(F)ccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395307 865799757 /nfs/dbraw/zinc/79/97/57/865799757.db2.gz XWBQAWAZXPSYIE-HXUWFJFHSA-N 2 2 375.463 3.632 20 0 GHADLP CC[N@@H+](C[C@@H](O)c1cc(F)ccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395307 865799764 /nfs/dbraw/zinc/79/97/64/865799764.db2.gz XWBQAWAZXPSYIE-HXUWFJFHSA-N 2 2 375.463 3.632 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(F)c(F)c1 ZINC000481179884 865938964 /nfs/dbraw/zinc/93/89/64/865938964.db2.gz VTHZSLGDFYRDDI-VWKPWSFCSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(F)c(F)c1 ZINC000481179884 865938973 /nfs/dbraw/zinc/93/89/73/865938973.db2.gz VTHZSLGDFYRDDI-VWKPWSFCSA-N 2 2 387.474 3.792 20 0 GHADLP COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183774 865948251 /nfs/dbraw/zinc/94/82/51/865948251.db2.gz SKUJTUJIYOOCSW-BJLQDIEVSA-N 2 2 381.520 3.522 20 0 GHADLP COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183774 865948256 /nfs/dbraw/zinc/94/82/56/865948256.db2.gz SKUJTUJIYOOCSW-BJLQDIEVSA-N 2 2 381.520 3.522 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H]3CN(c4cc(N5CCCC5)[nH+]cn4)CC[C@H]32)cc1 ZINC000302921141 865991530 /nfs/dbraw/zinc/99/15/30/865991530.db2.gz ZXQHWGSAABHBQR-LEWJYISDSA-N 2 2 377.536 3.568 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H]3CN(c4cc(N5CCCC5)[nH+]cn4)CC[C@H]32)cc1 ZINC000302921141 865991540 /nfs/dbraw/zinc/99/15/40/865991540.db2.gz ZXQHWGSAABHBQR-LEWJYISDSA-N 2 2 377.536 3.568 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552907044 866435560 /nfs/dbraw/zinc/43/55/60/866435560.db2.gz NVYCAITZEWSAJP-GOSISDBHSA-N 2 2 384.549 3.590 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000552907044 866435571 /nfs/dbraw/zinc/43/55/71/866435571.db2.gz NVYCAITZEWSAJP-GOSISDBHSA-N 2 2 384.549 3.590 20 0 GHADLP Clc1cccc2c(NCCCC[NH+]3CCN(c4ncccn4)CC3)cc[nH+]c12 ZINC000553034437 866671214 /nfs/dbraw/zinc/67/12/14/866671214.db2.gz HEDNKDSPQPBLQU-UHFFFAOYSA-N 2 2 396.926 3.693 20 0 GHADLP C[NH+]1CCC(CNC(=S)Nc2ccc(F)c(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000741876792 866874268 /nfs/dbraw/zinc/87/42/68/866874268.db2.gz PTQILQFROGDYFU-UHFFFAOYSA-N 2 2 398.979 3.716 20 0 GHADLP CC[NH+](CC)CCSCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000444538841 866877068 /nfs/dbraw/zinc/87/70/68/866877068.db2.gz DDCUOONRFCXJMD-UHFFFAOYSA-N 2 2 386.565 3.900 20 0 GHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)C2)CC1 ZINC000793233437 882027286 /nfs/dbraw/zinc/02/72/86/882027286.db2.gz TVUJRCAPNYFPAE-MTERUZRBSA-N 2 2 380.545 3.761 20 0 GHADLP CC(=O)c1ccc(NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000189960745 882051789 /nfs/dbraw/zinc/05/17/89/882051789.db2.gz WFJANQPAZWWAAA-QZTJIDSGSA-N 2 2 393.531 3.574 20 0 GHADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479080532 867144690 /nfs/dbraw/zinc/14/46/90/867144690.db2.gz NVLIFKPSFZDGGW-APWZRJJASA-N 2 2 399.348 3.722 20 0 GHADLP CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000523425330 867264927 /nfs/dbraw/zinc/26/49/27/867264927.db2.gz MWARJTAICMBPQD-UHFFFAOYSA-N 2 2 395.507 3.685 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(Br)c2OC(F)F)CC[N@@H+]1C ZINC000154960957 867683364 /nfs/dbraw/zinc/68/33/64/867683364.db2.gz YKOJWXPRFLACTP-WCQYABFASA-N 2 2 377.273 3.965 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(Br)c2OC(F)F)CC[N@H+]1C ZINC000154960957 867683372 /nfs/dbraw/zinc/68/33/72/867683372.db2.gz YKOJWXPRFLACTP-WCQYABFASA-N 2 2 377.273 3.965 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(Br)c2OC(F)F)CC[NH+]1C ZINC000154960957 867683384 /nfs/dbraw/zinc/68/33/84/867683384.db2.gz YKOJWXPRFLACTP-WCQYABFASA-N 2 2 377.273 3.965 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(Br)c2OC(F)F)CC[NH+]1C ZINC000154960957 867683397 /nfs/dbraw/zinc/68/33/97/867683397.db2.gz YKOJWXPRFLACTP-WCQYABFASA-N 2 2 377.273 3.965 20 0 GHADLP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000479484700 867853142 /nfs/dbraw/zinc/85/31/42/867853142.db2.gz IYMFMBOWOPMWHZ-SFHVURJKSA-N 2 2 378.557 3.504 20 0 GHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000523785152 867961666 /nfs/dbraw/zinc/96/16/66/867961666.db2.gz XVLLABJSQPTZGJ-IBGZPJMESA-N 2 2 395.532 3.570 20 0 GHADLP CCCC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C(=O)Nc1cc(C)on1 ZINC000523853486 868102770 /nfs/dbraw/zinc/10/27/70/868102770.db2.gz OXFQBAZLDRCECV-NQIIRXRSSA-N 2 2 398.551 3.717 20 0 GHADLP C[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000156212906 868288629 /nfs/dbraw/zinc/28/86/29/868288629.db2.gz YHMZKJUGNXKDBB-IAGOWNOFSA-N 2 2 392.540 3.790 20 0 GHADLP C[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000156212906 868288644 /nfs/dbraw/zinc/28/86/44/868288644.db2.gz YHMZKJUGNXKDBB-IAGOWNOFSA-N 2 2 392.540 3.790 20 0 GHADLP C[C@@H](Cc1ccccc1Cl)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000156561312 868399108 /nfs/dbraw/zinc/39/91/08/868399108.db2.gz VBHPIWKVCTZMLQ-SFHVURJKSA-N 2 2 391.987 3.585 20 0 GHADLP CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157101298 868556154 /nfs/dbraw/zinc/55/61/54/868556154.db2.gz ARNNLJGYJFXLLJ-JTHBVZDNSA-N 2 2 399.579 3.699 20 0 GHADLP CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157101298 868556162 /nfs/dbraw/zinc/55/61/62/868556162.db2.gz ARNNLJGYJFXLLJ-JTHBVZDNSA-N 2 2 399.579 3.699 20 0 GHADLP CC[N@H+](C)[C@@H](C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1)c1ccccc1 ZINC000508532624 868559400 /nfs/dbraw/zinc/55/94/00/868559400.db2.gz FKDZBNLCGDSHMO-AUSIDOKSSA-N 2 2 395.547 3.593 20 0 GHADLP CC[N@@H+](C)[C@@H](C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1)c1ccccc1 ZINC000508532624 868559405 /nfs/dbraw/zinc/55/94/05/868559405.db2.gz FKDZBNLCGDSHMO-AUSIDOKSSA-N 2 2 395.547 3.593 20 0 GHADLP CCC[NH+]1CCC([NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000157328173 868625789 /nfs/dbraw/zinc/62/57/89/868625789.db2.gz DQSAVUJMINIWSC-IBGZPJMESA-N 2 2 397.485 3.833 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000479886390 868683580 /nfs/dbraw/zinc/68/35/80/868683580.db2.gz GXFOXAIKSLIBDB-BWKNWUBXSA-N 2 2 393.575 3.519 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)CC2)cc1 ZINC000535514325 868875254 /nfs/dbraw/zinc/87/52/54/868875254.db2.gz QALJDLYZXCRKHJ-RBZQAINGSA-N 2 2 397.607 3.522 20 0 GHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000524756417 869529776 /nfs/dbraw/zinc/52/97/76/869529776.db2.gz IUBLYWAAPLOYTQ-NRFANRHFSA-N 2 2 389.559 3.903 20 0 GHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000524756417 869529786 /nfs/dbraw/zinc/52/97/86/869529786.db2.gz IUBLYWAAPLOYTQ-NRFANRHFSA-N 2 2 389.559 3.903 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-n2cccn2)cc1 ZINC000539658044 869544009 /nfs/dbraw/zinc/54/40/09/869544009.db2.gz LPECGTHIIDCCOE-UTKZUKDTSA-N 2 2 376.508 3.581 20 0 GHADLP CCCOc1cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1OC ZINC000428437321 869677588 /nfs/dbraw/zinc/67/75/88/869677588.db2.gz HXBOWNCSGPPZNW-DEOSSOPVSA-N 2 2 398.547 3.553 20 0 GHADLP CCCOc1cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1OC ZINC000428437321 869677593 /nfs/dbraw/zinc/67/75/93/869677593.db2.gz HXBOWNCSGPPZNW-DEOSSOPVSA-N 2 2 398.547 3.553 20 0 GHADLP CCCOc1cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000428437321 869677602 /nfs/dbraw/zinc/67/76/02/869677602.db2.gz HXBOWNCSGPPZNW-DEOSSOPVSA-N 2 2 398.547 3.553 20 0 GHADLP CCCOc1cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000428437321 869677608 /nfs/dbraw/zinc/67/76/08/869677608.db2.gz HXBOWNCSGPPZNW-DEOSSOPVSA-N 2 2 398.547 3.553 20 0 GHADLP C[NH+](C)CCc1ccccc1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000446592117 870071449 /nfs/dbraw/zinc/07/14/49/870071449.db2.gz VUPPFRGHIKPPJI-UHFFFAOYSA-N 2 2 383.540 3.712 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092565795 882383972 /nfs/dbraw/zinc/38/39/72/882383972.db2.gz WJBKLWJLFOXOJP-HZGZPEGRSA-N 2 2 387.568 3.782 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092565795 882383987 /nfs/dbraw/zinc/38/39/87/882383987.db2.gz WJBKLWJLFOXOJP-HZGZPEGRSA-N 2 2 387.568 3.782 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@@H]3c3cccc(Cl)c3)cn2)CC1 ZINC000446850800 870537438 /nfs/dbraw/zinc/53/74/38/870537438.db2.gz DBWQTKUHEHSNJD-HXUWFJFHSA-N 2 2 385.943 3.609 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@@H]3c3cccc(Cl)c3)cn2)CC1 ZINC000446850800 870537453 /nfs/dbraw/zinc/53/74/53/870537453.db2.gz DBWQTKUHEHSNJD-HXUWFJFHSA-N 2 2 385.943 3.609 20 0 GHADLP CC1CC[NH+](CCc2cccc(NC(=O)NCCCCn3cc[nH+]c3)c2)CC1 ZINC000538773666 870583374 /nfs/dbraw/zinc/58/33/74/870583374.db2.gz ZLALFTIEAJHBCM-UHFFFAOYSA-N 2 2 383.540 3.759 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000775546856 870651248 /nfs/dbraw/zinc/65/12/48/870651248.db2.gz GISYUIVPETVIBF-MAUKXSAKSA-N 2 2 382.426 3.729 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000775546856 870651255 /nfs/dbraw/zinc/65/12/55/870651255.db2.gz GISYUIVPETVIBF-MAUKXSAKSA-N 2 2 382.426 3.729 20 0 GHADLP C[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000463067086 870817465 /nfs/dbraw/zinc/81/74/65/870817465.db2.gz GGWPUJPTHMAQBR-FQEVSTJZSA-N 2 2 395.566 3.869 20 0 GHADLP C[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000463067086 870817477 /nfs/dbraw/zinc/81/74/77/870817477.db2.gz GGWPUJPTHMAQBR-FQEVSTJZSA-N 2 2 395.566 3.869 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001168825677 870880040 /nfs/dbraw/zinc/88/00/40/870880040.db2.gz UDAZIUVIHXAOLP-GIVPXCGWSA-N 2 2 387.568 3.681 20 0 GHADLP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC000463116162 870951682 /nfs/dbraw/zinc/95/16/82/870951682.db2.gz OMVDHSVKADWAOG-RUZDIDTESA-N 3 2 391.603 3.848 20 0 GHADLP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC000463116162 870951694 /nfs/dbraw/zinc/95/16/94/870951694.db2.gz OMVDHSVKADWAOG-RUZDIDTESA-N 3 2 391.603 3.848 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC000463138291 870988660 /nfs/dbraw/zinc/98/86/60/870988660.db2.gz OMJSNWYCJABZLJ-DEOSSOPVSA-N 2 2 381.539 3.697 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3cc(Cl)cc4ccccc43)CC2)CC1 ZINC000630863357 870999176 /nfs/dbraw/zinc/99/91/76/870999176.db2.gz UECNKHUPJXMVQA-UHFFFAOYSA-N 2 2 399.966 3.711 20 0 GHADLP OC[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429696568 871044215 /nfs/dbraw/zinc/04/42/15/871044215.db2.gz IRJCVFHRQAQJLU-JWQCQUIFSA-N 2 2 394.559 3.551 20 0 GHADLP OC[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429696568 871044229 /nfs/dbraw/zinc/04/42/29/871044229.db2.gz IRJCVFHRQAQJLU-JWQCQUIFSA-N 2 2 394.559 3.551 20 0 GHADLP OC[C@H](C1CC1)[NH+](Cc1ccccc1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429696568 871044247 /nfs/dbraw/zinc/04/42/47/871044247.db2.gz IRJCVFHRQAQJLU-JWQCQUIFSA-N 2 2 394.559 3.551 20 0 GHADLP OC[C@H](C1CC1)[NH+](Cc1ccccc1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429696568 871044267 /nfs/dbraw/zinc/04/42/67/871044267.db2.gz IRJCVFHRQAQJLU-JWQCQUIFSA-N 2 2 394.559 3.551 20 0 GHADLP CC(C)(C)OC(=O)NCC[N@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC001169014636 871099688 /nfs/dbraw/zinc/09/96/88/871099688.db2.gz PHWOBFYNFTUHMH-UHFFFAOYSA-N 2 2 375.557 3.889 20 0 GHADLP CC(C)(C)OC(=O)NCC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC001169014636 871099703 /nfs/dbraw/zinc/09/97/03/871099703.db2.gz PHWOBFYNFTUHMH-UHFFFAOYSA-N 2 2 375.557 3.889 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)Cc3ccsc31)C2 ZINC001169094911 871170402 /nfs/dbraw/zinc/17/04/02/871170402.db2.gz NFIJYSMLDUDDNO-YVSFHVDLSA-N 2 2 377.554 3.755 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)Cc3ccsc31)C2 ZINC001169094911 871170412 /nfs/dbraw/zinc/17/04/12/871170412.db2.gz NFIJYSMLDUDDNO-YVSFHVDLSA-N 2 2 377.554 3.755 20 0 GHADLP C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001169126062 871214256 /nfs/dbraw/zinc/21/42/56/871214256.db2.gz XIEVJJDUUDYMPW-ZIAGYGMSSA-N 2 2 395.341 3.920 20 0 GHADLP C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001169126062 871214274 /nfs/dbraw/zinc/21/42/74/871214274.db2.gz XIEVJJDUUDYMPW-ZIAGYGMSSA-N 2 2 395.341 3.920 20 0 GHADLP C[C@@H]1C[C@H](CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000539043103 871216625 /nfs/dbraw/zinc/21/66/25/871216625.db2.gz QCYSFKGPHXFXDP-IRLDBZIGSA-N 3 2 378.564 3.941 20 0 GHADLP C[C@@H]1C[C@H](CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000539043103 871216646 /nfs/dbraw/zinc/21/66/46/871216646.db2.gz QCYSFKGPHXFXDP-IRLDBZIGSA-N 3 2 378.564 3.941 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)N1Cc2ccccc2C1 ZINC000463243289 871249214 /nfs/dbraw/zinc/24/92/14/871249214.db2.gz NYPWYDYBLYOYAQ-YCRNBWNJSA-N 2 2 377.532 3.560 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)N1Cc2ccccc2C1 ZINC000463243289 871249226 /nfs/dbraw/zinc/24/92/26/871249226.db2.gz NYPWYDYBLYOYAQ-YCRNBWNJSA-N 2 2 377.532 3.560 20 0 GHADLP Cc1cc(Cl)c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000122277244 882498643 /nfs/dbraw/zinc/49/86/43/882498643.db2.gz MOGPIOWYRQOVKE-UHFFFAOYSA-N 2 2 399.366 3.982 20 0 GHADLP O=C1[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCN1C1CCCCC1 ZINC000463287233 871379892 /nfs/dbraw/zinc/37/98/92/871379892.db2.gz XHTAJFMSRHGNNJ-HSZRJFAPSA-N 2 2 383.580 3.607 20 0 GHADLP Cc1cc(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)ccc1[NH+](C)C ZINC001169519499 871591138 /nfs/dbraw/zinc/59/11/38/871591138.db2.gz KGXSWTGSYJOERB-SIKLNZKXSA-N 2 2 381.520 3.932 20 0 GHADLP C[C@]([NH3+])(C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000447433258 871640997 /nfs/dbraw/zinc/64/09/97/871640997.db2.gz ACVRAMILLMFTCH-WIYYLYMNSA-N 2 2 389.902 3.606 20 0 GHADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000447537098 871804419 /nfs/dbraw/zinc/80/44/19/871804419.db2.gz SNAAYHHQWGGWFV-ULQDDVLXSA-N 2 2 386.492 3.526 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1OC(F)F ZINC000540757030 872071551 /nfs/dbraw/zinc/07/15/51/872071551.db2.gz VQLBPVDQOAQTMX-HOCLYGCPSA-N 2 2 376.451 3.996 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000477918553 872180682 /nfs/dbraw/zinc/18/06/82/872180682.db2.gz VIVZTYUSXSFAIK-NHCUHLMSSA-N 2 2 392.609 3.792 20 0 GHADLP Cc1ccc2nc(C[NH2+][C@@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)cn2c1 ZINC000552413003 872605675 /nfs/dbraw/zinc/60/56/75/872605675.db2.gz FFVHEMUOKCVDAZ-HXUWFJFHSA-N 2 2 376.504 3.721 20 0 GHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)C[C@@H](C)O1 ZINC000527298954 872975471 /nfs/dbraw/zinc/97/54/71/872975471.db2.gz NHGZUYXBICXYAN-HZPDHXFCSA-N 2 2 384.923 3.569 20 0 GHADLP O=C1COc2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc2N1 ZINC000508370796 873188044 /nfs/dbraw/zinc/18/80/44/873188044.db2.gz LWIBZCUGAMERMV-XMMPIXPASA-N 2 2 391.515 3.506 20 0 GHADLP O=C1COc2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc2N1 ZINC000508370796 873188050 /nfs/dbraw/zinc/18/80/50/873188050.db2.gz LWIBZCUGAMERMV-XMMPIXPASA-N 2 2 391.515 3.506 20 0 GHADLP O=C1COc2ccc(C[NH+]3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)cc2N1 ZINC000508370796 873188060 /nfs/dbraw/zinc/18/80/60/873188060.db2.gz LWIBZCUGAMERMV-XMMPIXPASA-N 2 2 391.515 3.506 20 0 GHADLP O=C1COc2ccc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)cc2N1 ZINC000508370796 873188069 /nfs/dbraw/zinc/18/80/69/873188069.db2.gz LWIBZCUGAMERMV-XMMPIXPASA-N 2 2 391.515 3.506 20 0 GHADLP COc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc(C(F)(F)F)c1 ZINC000527642327 873392643 /nfs/dbraw/zinc/39/26/43/873392643.db2.gz ZONIDTATHVBSDO-UHFFFAOYSA-N 2 2 394.437 3.836 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000122849501 882729140 /nfs/dbraw/zinc/72/91/40/882729140.db2.gz BHSUKVRRTDRBBQ-XLIONFOSSA-N 2 2 381.520 3.588 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000122849501 882729152 /nfs/dbraw/zinc/72/91/52/882729152.db2.gz BHSUKVRRTDRBBQ-XLIONFOSSA-N 2 2 381.520 3.588 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000192089254 882756587 /nfs/dbraw/zinc/75/65/87/882756587.db2.gz ZGIUSEDNANIPQA-UHFFFAOYSA-N 2 2 389.503 3.967 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nc(-c4ccccc4C)ns3)CC2)CC1 ZINC000528037100 873905082 /nfs/dbraw/zinc/90/50/82/873905082.db2.gz CJTZQHPIXIWTGU-UHFFFAOYSA-N 2 2 385.581 3.510 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(c3nc(-c4ccccc4C)ns3)CC2)CC1 ZINC000528037100 873905086 /nfs/dbraw/zinc/90/50/86/873905086.db2.gz CJTZQHPIXIWTGU-UHFFFAOYSA-N 2 2 385.581 3.510 20 0 GHADLP Fc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1Br ZINC000449062033 874398415 /nfs/dbraw/zinc/39/84/15/874398415.db2.gz KNVNASIQJYNLFX-UHFFFAOYSA-N 2 2 393.300 3.710 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449047064 874414423 /nfs/dbraw/zinc/41/44/23/874414423.db2.gz MSEUMRVOWVGNBY-JEBQAFNWSA-N 2 2 393.503 3.772 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449047064 874414428 /nfs/dbraw/zinc/41/44/28/874414428.db2.gz MSEUMRVOWVGNBY-JEBQAFNWSA-N 2 2 393.503 3.772 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2Br)[C@@H](C)C1 ZINC000449138425 874526340 /nfs/dbraw/zinc/52/63/40/874526340.db2.gz HXVHQLFETQEYGA-YOEHRIQHSA-N 2 2 387.337 3.815 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2Br)[C@@H](C)C1 ZINC000449138425 874526344 /nfs/dbraw/zinc/52/63/44/874526344.db2.gz HXVHQLFETQEYGA-YOEHRIQHSA-N 2 2 387.337 3.815 20 0 GHADLP CC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808662 874530728 /nfs/dbraw/zinc/53/07/28/874530728.db2.gz LWTQWYIAGBEFKU-PZJWPPBQSA-N 2 2 386.584 3.657 20 0 GHADLP CC[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808662 874530732 /nfs/dbraw/zinc/53/07/32/874530732.db2.gz LWTQWYIAGBEFKU-PZJWPPBQSA-N 2 2 386.584 3.657 20 0 GHADLP CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CC[NH+](CCCn1cc[nH+]c1)CC2 ZINC001198624330 874555306 /nfs/dbraw/zinc/55/53/06/874555306.db2.gz YCMQOVUGMBTMMP-GOSISDBHSA-N 2 2 376.545 3.631 20 0 GHADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449184515 874576776 /nfs/dbraw/zinc/57/67/76/874576776.db2.gz IABVEACJHVYMBE-VXKWHMMOSA-N 2 2 399.604 3.786 20 0 GHADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449184566 874576871 /nfs/dbraw/zinc/57/68/71/874576871.db2.gz FCVHYNXEHYCZLF-QZTJIDSGSA-N 2 2 393.503 3.556 20 0 GHADLP CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000464842087 874611905 /nfs/dbraw/zinc/61/19/05/874611905.db2.gz FBZLOSDAJPHMDA-IRLDBZIGSA-N 2 2 379.548 3.882 20 0 GHADLP CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000464842087 874611910 /nfs/dbraw/zinc/61/19/10/874611910.db2.gz FBZLOSDAJPHMDA-IRLDBZIGSA-N 2 2 379.548 3.882 20 0 GHADLP CCN(C(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000464842087 874611915 /nfs/dbraw/zinc/61/19/15/874611915.db2.gz FBZLOSDAJPHMDA-IRLDBZIGSA-N 2 2 379.548 3.882 20 0 GHADLP CCN(C(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000464842087 874611922 /nfs/dbraw/zinc/61/19/22/874611922.db2.gz FBZLOSDAJPHMDA-IRLDBZIGSA-N 2 2 379.548 3.882 20 0 GHADLP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000134314088 882847913 /nfs/dbraw/zinc/84/79/13/882847913.db2.gz SJSPLAUQIIWTRS-MRXNPFEDSA-N 2 2 378.289 3.941 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CCCO1 ZINC000449286899 874673490 /nfs/dbraw/zinc/67/34/90/874673490.db2.gz VOIXWPZJIDDPID-CQSZACIVSA-N 2 2 381.492 3.679 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CCCO1 ZINC000449286899 874673496 /nfs/dbraw/zinc/67/34/96/874673496.db2.gz VOIXWPZJIDDPID-CQSZACIVSA-N 2 2 381.492 3.679 20 0 GHADLP Cn1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c(-c2ccc(F)cc2)n1 ZINC000449261737 874676562 /nfs/dbraw/zinc/67/65/62/874676562.db2.gz FCVBOSKQGUDQAT-CVDCTZTESA-N 2 2 393.510 3.746 20 0 GHADLP Cn1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c(-c2ccc(F)cc2)n1 ZINC000449261737 874676574 /nfs/dbraw/zinc/67/65/74/874676574.db2.gz FCVBOSKQGUDQAT-CVDCTZTESA-N 2 2 393.510 3.746 20 0 GHADLP Cn1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c(-c2ccc(F)cc2)n1 ZINC000449261737 874676587 /nfs/dbraw/zinc/67/65/87/874676587.db2.gz FCVBOSKQGUDQAT-CVDCTZTESA-N 2 2 393.510 3.746 20 0 GHADLP Cn1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c(-c2ccc(F)cc2)n1 ZINC000449261737 874676592 /nfs/dbraw/zinc/67/65/92/874676592.db2.gz FCVBOSKQGUDQAT-CVDCTZTESA-N 2 2 393.510 3.746 20 0 GHADLP C[NH+](C)Cc1nc(CSCCNc2cc(N3CCCCC3)cc[nH+]2)cs1 ZINC001168109057 874841856 /nfs/dbraw/zinc/84/18/56/874841856.db2.gz LCYVLCGYKFKLLE-UHFFFAOYSA-N 2 2 391.610 3.935 20 0 GHADLP COCc1c(C)cc(C)c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1C ZINC001199392900 874939164 /nfs/dbraw/zinc/93/91/64/874939164.db2.gz ZVASCZHJVOZVDV-UHFFFAOYSA-N 2 2 382.548 3.880 20 0 GHADLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)cc1F ZINC000449520061 874992155 /nfs/dbraw/zinc/99/21/55/874992155.db2.gz DDPYMTOOXFMCQO-UHFFFAOYSA-N 2 2 385.483 3.547 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)C3CCSCC3)CC2)cc1 ZINC000449525199 875003597 /nfs/dbraw/zinc/00/35/97/875003597.db2.gz QSELWXVEFVZIDC-INIZCTEOSA-N 2 2 375.582 3.731 20 0 GHADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542135744 875034695 /nfs/dbraw/zinc/03/46/95/875034695.db2.gz XKMUDDLDLOCTJH-KRWDZBQOSA-N 2 2 388.943 3.734 20 0 GHADLP COCO[C@H](C)c1cc(F)c(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1Br ZINC000858166797 882905013 /nfs/dbraw/zinc/90/50/13/882905013.db2.gz ARGKRPFWEUXNEA-CHWSQXEVSA-N 2 2 391.325 3.557 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000161200386 875205308 /nfs/dbraw/zinc/20/53/08/875205308.db2.gz SFJKEDMDMMHMGH-ZDUSSCGKSA-N 2 2 393.285 3.546 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000161200386 875205322 /nfs/dbraw/zinc/20/53/22/875205322.db2.gz SFJKEDMDMMHMGH-ZDUSSCGKSA-N 2 2 393.285 3.546 20 0 GHADLP CCCCC[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000771767154 875472122 /nfs/dbraw/zinc/47/21/22/875472122.db2.gz WKURQEPLPDBUHD-VQTJNVASSA-N 2 2 380.621 3.791 20 0 GHADLP CCCCC[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000771767154 875472129 /nfs/dbraw/zinc/47/21/29/875472129.db2.gz WKURQEPLPDBUHD-VQTJNVASSA-N 2 2 380.621 3.791 20 0 GHADLP C[C@H](C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[NH+]1CCCCCC1 ZINC000303594598 875857723 /nfs/dbraw/zinc/85/77/23/875857723.db2.gz WDSTXMRHICSVRQ-QGZVFWFLSA-N 2 2 398.576 3.904 20 0 GHADLP C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[NH+]1CCCCCC1 ZINC000303594598 875857730 /nfs/dbraw/zinc/85/77/30/875857730.db2.gz WDSTXMRHICSVRQ-QGZVFWFLSA-N 2 2 398.576 3.904 20 0 GHADLP Cc1cc(F)c(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(Cl)c1 ZINC000529253215 875929830 /nfs/dbraw/zinc/92/98/30/875929830.db2.gz MHDVNTSUPBDUEU-UHFFFAOYSA-N 2 2 396.938 3.859 20 0 GHADLP COc1cccc([C@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000173206806 876246610 /nfs/dbraw/zinc/24/66/10/876246610.db2.gz IPGQAOBECWMYBA-LEWJYISDSA-N 2 2 394.563 3.685 20 0 GHADLP COc1cccc([C@H](C)[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000173206806 876246625 /nfs/dbraw/zinc/24/66/25/876246625.db2.gz IPGQAOBECWMYBA-LEWJYISDSA-N 2 2 394.563 3.685 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]C2(Cc3ccccc3Br)CC2)s1 ZINC000492148925 876325628 /nfs/dbraw/zinc/32/56/28/876325628.db2.gz CDVRUCICGQSXFG-UHFFFAOYSA-N 2 2 380.355 3.832 20 0 GHADLP C[C@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450458247 876463456 /nfs/dbraw/zinc/46/34/56/876463456.db2.gz HXRWULBFYFLQCF-CYBMUJFWSA-N 2 2 395.320 3.574 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2cc3c(s2)CCCCC3)([NH+]2CCCCC2)CC1 ZINC000460497975 883054879 /nfs/dbraw/zinc/05/48/79/883054879.db2.gz FDZLWYAFVAHMBJ-UHFFFAOYSA-N 2 2 389.609 3.697 20 0 GHADLP CC[N@H+](CCC(=O)Nc1cccc(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972600 876752583 /nfs/dbraw/zinc/75/25/83/876752583.db2.gz GZQNVPKNIGVYPH-UHFFFAOYSA-N 2 2 396.535 3.657 20 0 GHADLP CC[N@@H+](CCC(=O)Nc1cccc(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972600 876752588 /nfs/dbraw/zinc/75/25/88/876752588.db2.gz GZQNVPKNIGVYPH-UHFFFAOYSA-N 2 2 396.535 3.657 20 0 GHADLP C[C@H](c1cnn(C)c1)[NH+](C)Cc1cc(C[N@@H+](C)[C@@H](C)c2cnn(C)c2)ccc1F ZINC000450699270 876793144 /nfs/dbraw/zinc/79/31/44/876793144.db2.gz KNIQHAHCKCFSHM-DLBZAZTESA-N 2 2 398.530 3.679 20 0 GHADLP C[C@H](c1cnn(C)c1)[NH+](C)Cc1cc(C[N@H+](C)[C@@H](C)c2cnn(C)c2)ccc1F ZINC000450699270 876793163 /nfs/dbraw/zinc/79/31/63/876793163.db2.gz KNIQHAHCKCFSHM-DLBZAZTESA-N 2 2 398.530 3.679 20 0 GHADLP C[C@H](c1cnn(C)c1)[N@@H+](C)Cc1cc(C[NH+](C)[C@@H](C)c2cnn(C)c2)ccc1F ZINC000450699270 876793177 /nfs/dbraw/zinc/79/31/77/876793177.db2.gz KNIQHAHCKCFSHM-DLBZAZTESA-N 2 2 398.530 3.679 20 0 GHADLP C[C@H](c1cnn(C)c1)[N@H+](C)Cc1cc(C[NH+](C)[C@@H](C)c2cnn(C)c2)ccc1F ZINC000450699270 876793189 /nfs/dbraw/zinc/79/31/89/876793189.db2.gz KNIQHAHCKCFSHM-DLBZAZTESA-N 2 2 398.530 3.679 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cnc(-c4ccco4)s3)cc2)CC1 ZINC000193008573 883068648 /nfs/dbraw/zinc/06/86/48/883068648.db2.gz ULFRKDDHQYSZOU-UHFFFAOYSA-N 2 2 396.560 3.830 20 0 GHADLP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)n(C)n1 ZINC000850398248 876880041 /nfs/dbraw/zinc/88/00/41/876880041.db2.gz MCPAHAKMYHKYLT-YADARESESA-N 2 2 395.595 3.764 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2ccc(F)cc2Cl)([NH+]2CCCCC2)CC1 ZINC000174361065 876988136 /nfs/dbraw/zinc/98/81/36/876988136.db2.gz CJSBBTYUCQDOTE-UHFFFAOYSA-N 2 2 382.911 3.551 20 0 GHADLP C[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000850565074 877030599 /nfs/dbraw/zinc/03/05/99/877030599.db2.gz KJPHTUGUEUSXDZ-CSZIGFGKSA-N 2 2 382.508 3.922 20 0 GHADLP Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)c2cc1C(C)C ZINC000787675919 877522633 /nfs/dbraw/zinc/52/26/33/877522633.db2.gz MGRAHZQHJNMSCS-HXUWFJFHSA-N 2 2 398.547 3.912 20 0 GHADLP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)c2cc1C(C)C ZINC000787675919 877522650 /nfs/dbraw/zinc/52/26/50/877522650.db2.gz MGRAHZQHJNMSCS-HXUWFJFHSA-N 2 2 398.547 3.912 20 0 GHADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)oc1C ZINC000667006643 877607207 /nfs/dbraw/zinc/60/72/07/877607207.db2.gz HLJQHJIVQYNAMJ-FCHUYYIVSA-N 3 2 382.552 3.586 20 0 GHADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCN[C@@H](c4ccccc4)C3)CC2)oc1C ZINC000667006643 877607223 /nfs/dbraw/zinc/60/72/23/877607223.db2.gz HLJQHJIVQYNAMJ-FCHUYYIVSA-N 2 2 382.552 3.586 20 0 GHADLP Cc1nc(C(C)C)oc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000551748052 877770965 /nfs/dbraw/zinc/77/09/65/877770965.db2.gz RHYXUFBOMJXXND-RTBURBONSA-N 2 2 390.572 3.516 20 0 GHADLP Cc1nc(C(C)C)oc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000551748052 877770972 /nfs/dbraw/zinc/77/09/72/877770972.db2.gz RHYXUFBOMJXXND-RTBURBONSA-N 2 2 390.572 3.516 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H](C)O1 ZINC000176034555 878048009 /nfs/dbraw/zinc/04/80/09/878048009.db2.gz GTSBEMLLWVAJTN-SFHLNBCPSA-N 2 2 399.579 3.889 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H](C)O1 ZINC000176034555 878048028 /nfs/dbraw/zinc/04/80/28/878048028.db2.gz GTSBEMLLWVAJTN-SFHLNBCPSA-N 2 2 399.579 3.889 20 0 GHADLP Cc1cc(=O)oc2cc(OCC[NH+]3CCC([NH2+]Cc4ccccc4)CC3)ccc12 ZINC000852116057 878083824 /nfs/dbraw/zinc/08/38/24/878083824.db2.gz XKCFNNAAIFXTRH-UHFFFAOYSA-N 2 2 392.499 3.734 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000245567014 878118984 /nfs/dbraw/zinc/11/89/84/878118984.db2.gz FIZXTQLKYYSYAW-FXAWDEMLSA-N 2 2 386.515 3.732 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000245567014 878118991 /nfs/dbraw/zinc/11/89/91/878118991.db2.gz FIZXTQLKYYSYAW-FXAWDEMLSA-N 2 2 386.515 3.732 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ncc(C(F)(F)F)s3)CC2)cc1 ZINC000788519724 878126241 /nfs/dbraw/zinc/12/62/41/878126241.db2.gz DUHZHLNWMIKXLI-UHFFFAOYSA-N 2 2 384.471 3.987 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@@H]3Cc3ccccn3)C2)cc1 ZINC000852563451 878425737 /nfs/dbraw/zinc/42/57/37/878425737.db2.gz APQLABATFYSULN-GMKZXUHWSA-N 2 2 379.548 3.674 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@@H]3Cc3ccccn3)C2)cc1 ZINC000852563451 878425743 /nfs/dbraw/zinc/42/57/43/878425743.db2.gz APQLABATFYSULN-GMKZXUHWSA-N 2 2 379.548 3.674 20 0 GHADLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1nc2c(s1)CCCC2 ZINC000537882522 878452951 /nfs/dbraw/zinc/45/29/51/878452951.db2.gz KYVXLKCFTVINTF-PXNSSMCTSA-N 2 2 384.593 3.661 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC000176891873 878467736 /nfs/dbraw/zinc/46/77/36/878467736.db2.gz UHTGIMSKWPOEGE-FXAWDEMLSA-N 2 2 396.535 3.511 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000176891873 878467740 /nfs/dbraw/zinc/46/77/40/878467740.db2.gz UHTGIMSKWPOEGE-FXAWDEMLSA-N 2 2 396.535 3.511 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccccc1F ZINC000245743459 878518213 /nfs/dbraw/zinc/51/82/13/878518213.db2.gz SALGKHDJZAJKKM-XAPVIXHLSA-N 2 2 393.506 3.716 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccccc1F ZINC000245743459 878518232 /nfs/dbraw/zinc/51/82/32/878518232.db2.gz SALGKHDJZAJKKM-XAPVIXHLSA-N 2 2 393.506 3.716 20 0 GHADLP CN(C(=O)Cc1ccccc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245759912 878558361 /nfs/dbraw/zinc/55/83/61/878558361.db2.gz ZQESNQZAGRIWAL-LEWJYISDSA-N 2 2 391.987 3.678 20 0 GHADLP CN(C(=O)Cc1ccccc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245759912 878558373 /nfs/dbraw/zinc/55/83/73/878558373.db2.gz ZQESNQZAGRIWAL-LEWJYISDSA-N 2 2 391.987 3.678 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000245778666 878586540 /nfs/dbraw/zinc/58/65/40/878586540.db2.gz LTWLHFLNGYSJKO-SLFFLAALSA-N 2 2 386.584 3.798 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000245778666 878586553 /nfs/dbraw/zinc/58/65/53/878586553.db2.gz LTWLHFLNGYSJKO-SLFFLAALSA-N 2 2 386.584 3.798 20 0 GHADLP C[NH+](C)Cc1ccc(NC(=O)c2sc3c(c2Br)C[NH2+]C3)cc1F ZINC000852869288 878638910 /nfs/dbraw/zinc/63/89/10/878638910.db2.gz BJGHIPQBIMQVMT-UHFFFAOYSA-N 2 2 398.301 3.567 20 0 GHADLP Cc1oc(C)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000670813385 878741152 /nfs/dbraw/zinc/74/11/52/878741152.db2.gz BLUTVZHIFVLIJW-PMACEKPBSA-N 2 2 375.557 3.614 20 0 GHADLP Cc1oc(C)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000670813385 878741167 /nfs/dbraw/zinc/74/11/67/878741167.db2.gz BLUTVZHIFVLIJW-PMACEKPBSA-N 2 2 375.557 3.614 20 0 GHADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000460950347 878846475 /nfs/dbraw/zinc/84/64/75/878846475.db2.gz FDVHWTWUUKHVOP-PZJWPPBQSA-N 2 2 385.556 3.661 20 0 GHADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000460950347 878846484 /nfs/dbraw/zinc/84/64/84/878846484.db2.gz FDVHWTWUUKHVOP-PZJWPPBQSA-N 2 2 385.556 3.661 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000538261472 879105040 /nfs/dbraw/zinc/10/50/40/879105040.db2.gz VOJUTWCUKDBBNP-RZUBCFFCSA-N 3 2 385.596 3.932 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000538261472 879105051 /nfs/dbraw/zinc/10/50/51/879105051.db2.gz VOJUTWCUKDBBNP-RZUBCFFCSA-N 3 2 385.596 3.932 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246179498 879127685 /nfs/dbraw/zinc/12/76/85/879127685.db2.gz KBUQOZMVBBHRGM-NZQKXSOJSA-N 2 2 399.579 3.557 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246179498 879127694 /nfs/dbraw/zinc/12/76/94/879127694.db2.gz KBUQOZMVBBHRGM-NZQKXSOJSA-N 2 2 399.579 3.557 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H]3CC[NH+](C(C)(C)C)C3)n2)C1 ZINC000853811974 879297615 /nfs/dbraw/zinc/29/76/15/879297615.db2.gz CNYAWRZSMBOFQW-CVEARBPZSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H]3CC[NH+](C(C)(C)C)C3)n2)C1 ZINC000853811974 879297627 /nfs/dbraw/zinc/29/76/27/879297627.db2.gz CNYAWRZSMBOFQW-CVEARBPZSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@@H]3CC[N@@H+](C(C)(C)C)C3)n2)C1 ZINC000853811974 879297634 /nfs/dbraw/zinc/29/76/34/879297634.db2.gz CNYAWRZSMBOFQW-CVEARBPZSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@@H]3CC[N@H+](C(C)(C)C)C3)n2)C1 ZINC000853811974 879297645 /nfs/dbraw/zinc/29/76/45/879297645.db2.gz CNYAWRZSMBOFQW-CVEARBPZSA-N 2 2 393.601 3.617 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000542465866 879387095 /nfs/dbraw/zinc/38/70/95/879387095.db2.gz AFURCIUQMLMKSB-UHFFFAOYSA-N 2 2 381.911 3.547 20 0 GHADLP O=C(CC[NH2+][C@@H](CC1CCC1)c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000538395886 879415835 /nfs/dbraw/zinc/41/58/35/879415835.db2.gz SEQLUCBITMMGDW-QFIPXVFZSA-N 2 2 392.547 3.641 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000246349988 879443253 /nfs/dbraw/zinc/44/32/53/879443253.db2.gz HQYKMBMFUVQGHG-QFBILLFUSA-N 2 2 393.453 3.979 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000246349988 879443266 /nfs/dbraw/zinc/44/32/66/879443266.db2.gz HQYKMBMFUVQGHG-QFBILLFUSA-N 2 2 393.453 3.979 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000542468600 879552559 /nfs/dbraw/zinc/55/25/59/879552559.db2.gz IOUGIPWZUNPFNJ-UHFFFAOYSA-N 2 2 381.911 3.547 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246450117 879575414 /nfs/dbraw/zinc/57/54/14/879575414.db2.gz DTOYKQXLKQLKFB-PLMTUMEDSA-N 2 2 389.971 3.808 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246450117 879575426 /nfs/dbraw/zinc/57/54/26/879575426.db2.gz DTOYKQXLKQLKFB-PLMTUMEDSA-N 2 2 389.971 3.808 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246450117 879575435 /nfs/dbraw/zinc/57/54/35/879575435.db2.gz DTOYKQXLKQLKFB-PLMTUMEDSA-N 2 2 389.971 3.808 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246450117 879575447 /nfs/dbraw/zinc/57/54/47/879575447.db2.gz DTOYKQXLKQLKFB-PLMTUMEDSA-N 2 2 389.971 3.808 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC001183394913 912475654 /nfs/dbraw/zinc/47/56/54/912475654.db2.gz JEDHJJUKVMMQGG-FTBPSBKWSA-N 2 2 399.623 3.829 20 0 GHADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC001183394913 912475662 /nfs/dbraw/zinc/47/56/62/912475662.db2.gz JEDHJJUKVMMQGG-FTBPSBKWSA-N 2 2 399.623 3.829 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246964986 879866335 /nfs/dbraw/zinc/86/63/35/879866335.db2.gz VDVIBUMJAYOAFD-QFUCXCTJSA-N 2 2 395.547 3.901 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246964986 879866349 /nfs/dbraw/zinc/86/63/49/879866349.db2.gz VDVIBUMJAYOAFD-QFUCXCTJSA-N 2 2 395.547 3.901 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246964986 879866366 /nfs/dbraw/zinc/86/63/66/879866366.db2.gz VDVIBUMJAYOAFD-QFUCXCTJSA-N 2 2 395.547 3.901 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246964986 879866376 /nfs/dbraw/zinc/86/63/76/879866376.db2.gz VDVIBUMJAYOAFD-QFUCXCTJSA-N 2 2 395.547 3.901 20 0 GHADLP CC(C)n1ncc2c1C[C@H]([NH2+]C1CCN(c3ccc([NH+](C)C)cc3)CC1)CC2 ZINC000790690345 879926795 /nfs/dbraw/zinc/92/67/95/879926795.db2.gz OLVHNBUUDGUNKT-HXUWFJFHSA-N 2 2 381.568 3.646 20 0 GHADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000183060950 880054164 /nfs/dbraw/zinc/05/41/64/880054164.db2.gz MXOSYIGQBJEKMU-LJQANCHMSA-N 2 2 380.532 3.953 20 0 GHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nc(C[NH+]3CCC[C@@H](C)C3)cs2)[C@@H](C)C1 ZINC000531646663 880252312 /nfs/dbraw/zinc/25/23/12/880252312.db2.gz NYJNBAWQVQPHTR-RYRKJORJSA-N 2 2 393.601 3.569 20 0 GHADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2nc(C[NH+]3CCC[C@@H](C)C3)cs2)[C@@H](C)C1 ZINC000531646663 880252325 /nfs/dbraw/zinc/25/23/25/880252325.db2.gz NYJNBAWQVQPHTR-RYRKJORJSA-N 2 2 393.601 3.569 20 0 GHADLP CC[NH+]1CC[C@H](N(C)C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)[C@@H](C)C1 ZINC000531646663 880252338 /nfs/dbraw/zinc/25/23/38/880252338.db2.gz NYJNBAWQVQPHTR-RYRKJORJSA-N 2 2 393.601 3.569 20 0 GHADLP CC[NH+]1CC[C@H](N(C)C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)[C@@H](C)C1 ZINC000531646663 880252352 /nfs/dbraw/zinc/25/23/52/880252352.db2.gz NYJNBAWQVQPHTR-RYRKJORJSA-N 2 2 393.601 3.569 20 0 GHADLP Cn1cc(-c2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)on2)cn1 ZINC000185026833 880450849 /nfs/dbraw/zinc/45/08/49/880450849.db2.gz JXCQHMWBKZCKLV-XXBNENTESA-N 2 2 391.519 3.562 20 0 GHADLP Cn1cc(-c2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)on2)cn1 ZINC000185026833 880450862 /nfs/dbraw/zinc/45/08/62/880450862.db2.gz JXCQHMWBKZCKLV-XXBNENTESA-N 2 2 391.519 3.562 20 0 GHADLP Cn1cc(-c2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)on2)cn1 ZINC000185026833 880450877 /nfs/dbraw/zinc/45/08/77/880450877.db2.gz JXCQHMWBKZCKLV-XXBNENTESA-N 2 2 391.519 3.562 20 0 GHADLP Cn1cc(-c2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)on2)cn1 ZINC000185026833 880450892 /nfs/dbraw/zinc/45/08/92/880450892.db2.gz JXCQHMWBKZCKLV-XXBNENTESA-N 2 2 391.519 3.562 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(SCC(F)(F)F)cc1 ZINC000453269423 880705822 /nfs/dbraw/zinc/70/58/22/880705822.db2.gz RGTMHLPVZOAMLT-HOCLYGCPSA-N 2 2 376.488 3.838 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(SCC(F)(F)F)cc1 ZINC000453269423 880705829 /nfs/dbraw/zinc/70/58/29/880705829.db2.gz RGTMHLPVZOAMLT-HOCLYGCPSA-N 2 2 376.488 3.838 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)cc1O ZINC000453330777 880762466 /nfs/dbraw/zinc/76/24/66/880762466.db2.gz SORJXYXOPNTGOM-MRXNPFEDSA-N 2 2 397.519 3.674 20 0 GHADLP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(Cl)cccc1Cl ZINC001275207634 912621595 /nfs/dbraw/zinc/62/15/95/912621595.db2.gz WHODBBJZXXTBJK-LJQANCHMSA-N 2 2 384.351 3.512 20 0 GHADLP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(Cl)cccc1Cl ZINC001275207634 912621601 /nfs/dbraw/zinc/62/16/01/912621601.db2.gz WHODBBJZXXTBJK-LJQANCHMSA-N 2 2 384.351 3.512 20 0 GHADLP CC[C@H]1C[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)CCO1 ZINC001170190014 881199966 /nfs/dbraw/zinc/19/99/66/881199966.db2.gz DFNACWBOFCVYEA-BVSLBCMMSA-N 2 2 392.503 3.675 20 0 GHADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000263217834 883223924 /nfs/dbraw/zinc/22/39/24/883223924.db2.gz LEWCKNPQFXAQOV-KKSFZXQISA-N 2 2 384.549 3.548 20 0 GHADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000263217834 883223940 /nfs/dbraw/zinc/22/39/40/883223940.db2.gz LEWCKNPQFXAQOV-KKSFZXQISA-N 2 2 384.549 3.548 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccc1-n1ccnn1 ZINC000286345174 912703360 /nfs/dbraw/zinc/70/33/60/912703360.db2.gz YZPRSUVAVLPCRF-ROUUACIJSA-N 2 2 376.508 3.539 20 0 GHADLP CC(C)(C)OC(=O)N1CC(CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000859246859 883692301 /nfs/dbraw/zinc/69/23/01/883692301.db2.gz NVIOXKXGQWKDAC-UHFFFAOYSA-N 2 2 376.545 3.632 20 0 GHADLP COc1c(Br)cccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000187136906 883750112 /nfs/dbraw/zinc/75/01/12/883750112.db2.gz ZKYTWMYPJIPFTH-UHFFFAOYSA-N 2 2 387.281 3.637 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1C(F)(F)F ZINC000556240956 884206687 /nfs/dbraw/zinc/20/66/87/884206687.db2.gz KYEQSXFPEVGRHL-CRAIPNDOSA-N 2 2 378.438 3.775 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1C(F)(F)F ZINC000556240956 884206702 /nfs/dbraw/zinc/20/67/02/884206702.db2.gz KYEQSXFPEVGRHL-CRAIPNDOSA-N 2 2 378.438 3.775 20 0 GHADLP CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3cccc(C[NH+](C)C)c3)CC2)cc1 ZINC000174870886 884327413 /nfs/dbraw/zinc/32/74/13/884327413.db2.gz LLABQNPDWBFDAM-UHFFFAOYSA-N 2 2 395.551 3.605 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000495079807 884505289 /nfs/dbraw/zinc/50/52/89/884505289.db2.gz BDXHMWKCOGAMBE-ROUUACIJSA-N 2 2 391.968 3.615 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000495079807 884505316 /nfs/dbraw/zinc/50/53/16/884505316.db2.gz BDXHMWKCOGAMBE-ROUUACIJSA-N 2 2 391.968 3.615 20 0 GHADLP c1ccc(N2Cc3cccc(NC4CC[NH+](C[C@H]5CCCO5)CC4)c3C2)[nH+]c1 ZINC000655748483 885074019 /nfs/dbraw/zinc/07/40/19/885074019.db2.gz CFADVJVTQBSDKA-HXUWFJFHSA-N 2 2 378.520 3.657 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000666451808 885100625 /nfs/dbraw/zinc/10/06/25/885100625.db2.gz PIRLCNLRZAAHDQ-KRWDZBQOSA-N 2 2 379.508 3.596 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000666451808 885100635 /nfs/dbraw/zinc/10/06/35/885100635.db2.gz PIRLCNLRZAAHDQ-KRWDZBQOSA-N 2 2 379.508 3.596 20 0 GHADLP CCC[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000465480716 885138043 /nfs/dbraw/zinc/13/80/43/885138043.db2.gz XFIHSZYQRUCIOE-OAQYLSRUSA-N 2 2 386.584 3.777 20 0 GHADLP FC(F)(F)Oc1cccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)c1 ZINC000655767827 885472678 /nfs/dbraw/zinc/47/26/78/885472678.db2.gz ZOQJNXZXZPQOAS-MJGOQNOKSA-N 2 2 384.442 3.879 20 0 GHADLP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000131102762 885521406 /nfs/dbraw/zinc/52/14/06/885521406.db2.gz YWQSPSYEGXHDKF-CVDCTZTESA-N 2 2 388.515 3.757 20 0 GHADLP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)c(Cl)c1 ZINC001275281977 912962744 /nfs/dbraw/zinc/96/27/44/912962744.db2.gz KRQKEKGMGPKBEN-IBGZPJMESA-N 2 2 384.351 3.512 20 0 GHADLP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)c(Cl)c1 ZINC001275281977 912962761 /nfs/dbraw/zinc/96/27/61/912962761.db2.gz KRQKEKGMGPKBEN-IBGZPJMESA-N 2 2 384.351 3.512 20 0 GHADLP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117774032 886111207 /nfs/dbraw/zinc/11/12/07/886111207.db2.gz HRBKNGZQUDHPKO-QGZVFWFLSA-N 2 2 380.517 3.576 20 0 GHADLP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117774032 886111213 /nfs/dbraw/zinc/11/12/13/886111213.db2.gz HRBKNGZQUDHPKO-QGZVFWFLSA-N 2 2 380.517 3.576 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000670180167 886218835 /nfs/dbraw/zinc/21/88/35/886218835.db2.gz LGFCSBQSQPVXFI-SFTDATJTSA-N 2 2 395.551 3.530 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000670180167 886218854 /nfs/dbraw/zinc/21/88/54/886218854.db2.gz LGFCSBQSQPVXFI-SFTDATJTSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cnn(-c2ccccc2)c1 ZINC000777256796 886352087 /nfs/dbraw/zinc/35/20/87/886352087.db2.gz RZIYMYPMVPOXCN-LAUBAEHRSA-N 2 2 376.508 3.581 20 0 GHADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(Br)ccc1O ZINC000155104117 886464080 /nfs/dbraw/zinc/46/40/80/886464080.db2.gz VTCBBSNPWVXFPH-MRXNPFEDSA-N 2 2 378.314 3.971 20 0 GHADLP COc1cc(OC)c(OC)cc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119320949 886589443 /nfs/dbraw/zinc/58/94/43/886589443.db2.gz HVHFHIJURAQSGR-UHFFFAOYSA-N 2 2 384.520 3.809 20 0 GHADLP COc1cc(OC)c(OC)cc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119320949 886589450 /nfs/dbraw/zinc/58/94/50/886589450.db2.gz HVHFHIJURAQSGR-UHFFFAOYSA-N 2 2 384.520 3.809 20 0 GHADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(Cl)c1 ZINC000131212582 887520438 /nfs/dbraw/zinc/52/04/38/887520438.db2.gz OKDUEVXGTLVONY-IAGOWNOFSA-N 2 2 388.943 3.972 20 0 GHADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(Cl)c1 ZINC000131212582 887520445 /nfs/dbraw/zinc/52/04/45/887520445.db2.gz OKDUEVXGTLVONY-IAGOWNOFSA-N 2 2 388.943 3.972 20 0 GHADLP C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000425252914 887703916 /nfs/dbraw/zinc/70/39/16/887703916.db2.gz IEUZXNJYALNPFB-XJABCFGWSA-N 2 2 376.504 3.739 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3Oc3ccccc3)CC2)CC1 ZINC000050800861 887709687 /nfs/dbraw/zinc/70/96/87/887709687.db2.gz VWJZAYLGYCFJJO-UHFFFAOYSA-N 2 2 393.531 3.767 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccccc2I)cc1 ZINC000809737282 887770672 /nfs/dbraw/zinc/77/06/72/887770672.db2.gz FIOTUFMBIXJYHM-UHFFFAOYSA-N 2 2 394.300 3.985 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccccc2I)cc1 ZINC000809737282 887770686 /nfs/dbraw/zinc/77/06/86/887770686.db2.gz FIOTUFMBIXJYHM-UHFFFAOYSA-N 2 2 394.300 3.985 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000058514528 888440171 /nfs/dbraw/zinc/44/01/71/888440171.db2.gz PFOIOEDKRADKHI-UHFFFAOYSA-N 2 2 396.535 3.513 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282135070 888601134 /nfs/dbraw/zinc/60/11/34/888601134.db2.gz RPJHYJCHCPWZKX-NVXWUHKLSA-N 2 2 378.480 3.605 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282135070 888601141 /nfs/dbraw/zinc/60/11/41/888601141.db2.gz RPJHYJCHCPWZKX-NVXWUHKLSA-N 2 2 378.480 3.605 20 0 GHADLP C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000121053320 888868850 /nfs/dbraw/zinc/86/88/50/888868850.db2.gz QRPCVTVIJCYBNT-SBUREZEXSA-N 2 2 385.527 3.962 20 0 GHADLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@H+](Cc3sccc3Cl)CC2)C1=O ZINC001275317685 913309892 /nfs/dbraw/zinc/30/98/92/913309892.db2.gz SULUYMJDHTWDNR-LJQANCHMSA-N 2 2 392.956 3.540 20 0 GHADLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@@H+](Cc3sccc3Cl)CC2)C1=O ZINC001275317685 913309911 /nfs/dbraw/zinc/30/99/11/913309911.db2.gz SULUYMJDHTWDNR-LJQANCHMSA-N 2 2 392.956 3.540 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc(C)c1F ZINC000123641900 889355063 /nfs/dbraw/zinc/35/50/63/889355063.db2.gz QIUJOESCCHVHBD-NHCUHLMSSA-N 2 2 389.559 3.852 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc(C)c1F ZINC000123641900 889355069 /nfs/dbraw/zinc/35/50/69/889355069.db2.gz QIUJOESCCHVHBD-NHCUHLMSSA-N 2 2 389.559 3.852 20 0 GHADLP CC[N@H+](Cc1cccc(OC)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533072921 889683359 /nfs/dbraw/zinc/68/33/59/889683359.db2.gz BNTBKFBTNIWADT-UHFFFAOYSA-N 2 2 383.540 3.803 20 0 GHADLP CC[N@@H+](Cc1cccc(OC)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533072921 889683370 /nfs/dbraw/zinc/68/33/70/889683370.db2.gz BNTBKFBTNIWADT-UHFFFAOYSA-N 2 2 383.540 3.803 20 0 GHADLP CC[N@H+](CC(=O)NC(C)(C)CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073145 889688512 /nfs/dbraw/zinc/68/85/12/889688512.db2.gz ZZSNJHPJFNKJJR-UHFFFAOYSA-N 2 2 389.588 3.504 20 0 GHADLP CC[N@@H+](CC(=O)NC(C)(C)CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073145 889688517 /nfs/dbraw/zinc/68/85/17/889688517.db2.gz ZZSNJHPJFNKJJR-UHFFFAOYSA-N 2 2 389.588 3.504 20 0 GHADLP C/C(=C\C=C\[NH3+])n1cc(-c2ccc([C@@](O)(C[NH3+])c3ccc(Cl)cc3)cc2)cn1 ZINC001170636512 889704155 /nfs/dbraw/zinc/70/41/55/889704155.db2.gz WRUWVAKVUBTGRW-NNSMFUTRSA-N 2 2 394.906 3.731 20 0 GHADLP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000124662638 889714712 /nfs/dbraw/zinc/71/47/12/889714712.db2.gz XRMLXZNDXPUFGK-LJQANCHMSA-N 2 2 383.584 3.809 20 0 GHADLP Cc1cc(F)ccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124672820 889719268 /nfs/dbraw/zinc/71/92/68/889719268.db2.gz JBKATYOCFUHUPR-NHCUHLMSSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1cc(F)ccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124672820 889719278 /nfs/dbraw/zinc/71/92/78/889719278.db2.gz JBKATYOCFUHUPR-NHCUHLMSSA-N 2 2 375.532 3.543 20 0 GHADLP CCc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)oc1CC ZINC000124674522 889721064 /nfs/dbraw/zinc/72/10/64/889721064.db2.gz JHBGGLJUTZVDGZ-UXHICEINSA-N 2 2 389.584 3.814 20 0 GHADLP CCc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)oc1CC ZINC000124674522 889721076 /nfs/dbraw/zinc/72/10/76/889721076.db2.gz JHBGGLJUTZVDGZ-UXHICEINSA-N 2 2 389.584 3.814 20 0 GHADLP CC(C)c1ncc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124837140 889784599 /nfs/dbraw/zinc/78/45/99/889784599.db2.gz FRQCVCHQXKFSNB-ZWKOTPCHSA-N 2 2 392.613 3.676 20 0 GHADLP CC(C)c1ncc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124837140 889784609 /nfs/dbraw/zinc/78/46/09/889784609.db2.gz FRQCVCHQXKFSNB-ZWKOTPCHSA-N 2 2 392.613 3.676 20 0 GHADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000420379344 890091010 /nfs/dbraw/zinc/09/10/10/890091010.db2.gz VIFRDTOOPJIMEP-FXAWDEMLSA-N 2 2 394.437 3.830 20 0 GHADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000420379344 890091024 /nfs/dbraw/zinc/09/10/24/890091024.db2.gz VIFRDTOOPJIMEP-FXAWDEMLSA-N 2 2 394.437 3.830 20 0 GHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000533525498 890756288 /nfs/dbraw/zinc/75/62/88/890756288.db2.gz DSUACAKOWFNWIG-WIYYLYMNSA-N 2 2 390.487 3.978 20 0 GHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000533525498 890756300 /nfs/dbraw/zinc/75/63/00/890756300.db2.gz DSUACAKOWFNWIG-WIYYLYMNSA-N 2 2 390.487 3.978 20 0 GHADLP C[C@H](CC1CCCC1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650022 891046916 /nfs/dbraw/zinc/04/69/16/891046916.db2.gz YBSBLYUSSMBFDK-COPCDDAFSA-N 2 2 377.617 3.998 20 0 GHADLP C[C@H](CC1CCCC1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650022 891046924 /nfs/dbraw/zinc/04/69/24/891046924.db2.gz YBSBLYUSSMBFDK-COPCDDAFSA-N 2 2 377.617 3.998 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c[nH+]1 ZINC000455556708 891207916 /nfs/dbraw/zinc/20/79/16/891207916.db2.gz GSTXFYZXTIXNGA-UHFFFAOYSA-N 2 2 392.547 3.896 20 0 GHADLP CC(C)C[N@H+](CC1CC[NH+](C)CC1)Cn1nc(N2CCCC2)sc1=S ZINC000872743361 891320377 /nfs/dbraw/zinc/32/03/77/891320377.db2.gz ABMUITWNVAVGOU-UHFFFAOYSA-N 2 2 383.631 3.532 20 0 GHADLP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)Cn1nc(N2CCCC2)sc1=S ZINC000872743361 891320394 /nfs/dbraw/zinc/32/03/94/891320394.db2.gz ABMUITWNVAVGOU-UHFFFAOYSA-N 2 2 383.631 3.532 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248820612 891471823 /nfs/dbraw/zinc/47/18/23/891471823.db2.gz WPUJJFOVCCQYDG-VQTJNVASSA-N 2 2 393.934 3.605 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248820612 891471836 /nfs/dbraw/zinc/47/18/36/891471836.db2.gz WPUJJFOVCCQYDG-VQTJNVASSA-N 2 2 393.934 3.605 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000162026695 892018995 /nfs/dbraw/zinc/01/89/95/892018995.db2.gz HZOIJKALFHTXTN-HNNXBMFYSA-N 2 2 394.437 3.666 20 0 GHADLP CCCC1(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000162277826 892156777 /nfs/dbraw/zinc/15/67/77/892156777.db2.gz VELIJCDFTIJAJZ-UXHICEINSA-N 2 2 378.605 3.545 20 0 GHADLP CCCC1(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000162277826 892156783 /nfs/dbraw/zinc/15/67/83/892156783.db2.gz VELIJCDFTIJAJZ-UXHICEINSA-N 2 2 378.605 3.545 20 0 GHADLP CCOC(=O)n1nc2c(c1Nc1ccc([C@@H]3CCCC[N@@H+]3C)cn1)C[NH2+]C2(C)C ZINC001170755499 893034494 /nfs/dbraw/zinc/03/44/94/893034494.db2.gz BAYCBEOHQXTWBM-INIZCTEOSA-N 2 2 398.511 3.521 20 0 GHADLP CCOC(=O)n1nc2c(c1Nc1ccc([C@@H]3CCCC[N@H+]3C)cn1)C[NH2+]C2(C)C ZINC001170755499 893034514 /nfs/dbraw/zinc/03/45/14/893034514.db2.gz BAYCBEOHQXTWBM-INIZCTEOSA-N 2 2 398.511 3.521 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H](C[NH2+]Cc3nc4c(s3)CCC4)C3(C2)CCOCC3)cc1 ZINC000645198083 913747452 /nfs/dbraw/zinc/74/74/52/913747452.db2.gz QUSNSGWYVDYRCK-LJQANCHMSA-N 2 2 397.588 3.650 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]Cc3nc4c(s3)CCC4)C3(C2)CCOCC3)cc1 ZINC000645198083 913747458 /nfs/dbraw/zinc/74/74/58/913747458.db2.gz QUSNSGWYVDYRCK-LJQANCHMSA-N 2 2 397.588 3.650 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cnc(C3CCCCC3)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536664317 893476307 /nfs/dbraw/zinc/47/63/07/893476307.db2.gz KTKHNMYHPXMMJO-YLJYHZDGSA-N 2 2 376.614 3.649 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cnc(C3CCCCC3)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536664317 893476314 /nfs/dbraw/zinc/47/63/14/893476314.db2.gz KTKHNMYHPXMMJO-YLJYHZDGSA-N 2 2 376.614 3.649 20 0 GHADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000129527099 893563025 /nfs/dbraw/zinc/56/30/25/893563025.db2.gz NYOBYMGFHCGSEY-MSOLQXFVSA-N 2 2 386.458 3.608 20 0 GHADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000563374145 893678090 /nfs/dbraw/zinc/67/80/90/893678090.db2.gz NVSOTIWFRGCEJT-NQIIRXRSSA-N 2 2 376.504 3.940 20 0 GHADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000563374145 893678098 /nfs/dbraw/zinc/67/80/98/893678098.db2.gz NVSOTIWFRGCEJT-NQIIRXRSSA-N 2 2 376.504 3.940 20 0 GHADLP Clc1csc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)n1 ZINC000877552797 893685085 /nfs/dbraw/zinc/68/50/85/893685085.db2.gz XAYBAJOOZHBYRK-KRWDZBQOSA-N 2 2 391.968 3.815 20 0 GHADLP Clc1csc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)n1 ZINC000877552797 893685096 /nfs/dbraw/zinc/68/50/96/893685096.db2.gz XAYBAJOOZHBYRK-KRWDZBQOSA-N 2 2 391.968 3.815 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(Cl)c3N)CC2)cc1 ZINC000877567326 893694492 /nfs/dbraw/zinc/69/44/92/893694492.db2.gz JPNBKTMABSCXHZ-UHFFFAOYSA-N 2 2 386.927 3.635 20 0 GHADLP Cc1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1C ZINC000563439149 893725681 /nfs/dbraw/zinc/72/56/81/893725681.db2.gz FTOPRXHEOGXKPF-APWZRJJASA-N 2 2 380.458 3.920 20 0 GHADLP Cc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1C ZINC000563439149 893725697 /nfs/dbraw/zinc/72/56/97/893725697.db2.gz FTOPRXHEOGXKPF-APWZRJJASA-N 2 2 380.458 3.920 20 0 GHADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC1 ZINC000459690164 894078351 /nfs/dbraw/zinc/07/83/51/894078351.db2.gz IQHRPTIESDKEAV-RTBCOKGWSA-N 2 2 378.582 3.954 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCN(CCCc2ccccc2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536908806 894086700 /nfs/dbraw/zinc/08/67/00/894086700.db2.gz HNOHKWHWCJMKGK-XXBNENTESA-N 2 2 388.515 3.757 20 0 GHADLP C[C@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878384855 894247176 /nfs/dbraw/zinc/24/71/76/894247176.db2.gz RLEJNTGLCFIEGJ-FUHWJXTLSA-N 2 2 381.549 3.544 20 0 GHADLP C[C@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000878384855 894247185 /nfs/dbraw/zinc/24/71/85/894247185.db2.gz RLEJNTGLCFIEGJ-FUHWJXTLSA-N 2 2 381.549 3.544 20 0 GHADLP CC(C)Oc1ccccc1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001137138152 894652213 /nfs/dbraw/zinc/65/22/13/894652213.db2.gz QLPJPPHKVXXUGZ-UHFFFAOYSA-N 2 2 382.552 3.715 20 0 GHADLP CC(C)Oc1ccccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001137138152 894652239 /nfs/dbraw/zinc/65/22/39/894652239.db2.gz QLPJPPHKVXXUGZ-UHFFFAOYSA-N 2 2 382.552 3.715 20 0 GHADLP CC(C)Oc1ccccc1C[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001137137550 894678800 /nfs/dbraw/zinc/67/88/00/894678800.db2.gz FKNFLIRGDGQCQO-UHFFFAOYSA-N 2 2 381.520 3.740 20 0 GHADLP COc1ccc2c(c1)[C@@H](Nc1ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]1)CCCO2 ZINC000537455503 895037752 /nfs/dbraw/zinc/03/77/52/895037752.db2.gz DTJGWBBZCWNEOA-XLIONFOSSA-N 2 2 382.508 3.556 20 0 GHADLP C[C@H](CC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC000565072882 895376200 /nfs/dbraw/zinc/37/62/00/895376200.db2.gz YLHXRCVCROPVQT-HXUWFJFHSA-N 2 2 382.552 3.685 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(CSC(F)F)o3)CC2)CC1 ZINC000817414416 895591012 /nfs/dbraw/zinc/59/10/12/895591012.db2.gz ZLLVFQQITOVHJU-UHFFFAOYSA-N 2 2 387.540 3.727 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000565519862 895696573 /nfs/dbraw/zinc/69/65/73/895696573.db2.gz BQCILVNBGQVFAM-RHSMWYFYSA-N 2 2 399.457 3.909 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000565519862 895696577 /nfs/dbraw/zinc/69/65/77/895696577.db2.gz BQCILVNBGQVFAM-RHSMWYFYSA-N 2 2 399.457 3.909 20 0 GHADLP O[C@@H](C[NH2+]CC[C@H](c1ccccc1)C(F)(F)F)C[N@@H+]1CCc2ccccc2C1 ZINC000565535080 895708032 /nfs/dbraw/zinc/70/80/32/895708032.db2.gz FEPYMBLGIITTQD-LEWJYISDSA-N 2 2 392.465 3.731 20 0 GHADLP O[C@@H](C[NH2+]CC[C@H](c1ccccc1)C(F)(F)F)C[N@H+]1CCc2ccccc2C1 ZINC000565535080 895708044 /nfs/dbraw/zinc/70/80/44/895708044.db2.gz FEPYMBLGIITTQD-LEWJYISDSA-N 2 2 392.465 3.731 20 0 GHADLP C[N@H+](CCCNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)Cc1ccccc1 ZINC001135940224 895731354 /nfs/dbraw/zinc/73/13/54/895731354.db2.gz HDWWFLLRQCWGIE-OYRHEFFESA-N 2 2 380.536 3.691 20 0 GHADLP C[N@@H+](CCCNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)Cc1ccccc1 ZINC001135940224 895731369 /nfs/dbraw/zinc/73/13/69/895731369.db2.gz HDWWFLLRQCWGIE-OYRHEFFESA-N 2 2 380.536 3.691 20 0 GHADLP O=C([C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001136058232 895960794 /nfs/dbraw/zinc/96/07/94/895960794.db2.gz JKUKTHIFRFQWTE-SZPZYZBQSA-N 2 2 392.547 3.787 20 0 GHADLP O=C([C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001136058232 895960807 /nfs/dbraw/zinc/96/08/07/895960807.db2.gz JKUKTHIFRFQWTE-SZPZYZBQSA-N 2 2 392.547 3.787 20 0 GHADLP CC1(C)CC[C@H](C[NH+]2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)O1 ZINC001170891685 896078486 /nfs/dbraw/zinc/07/84/86/896078486.db2.gz FJYGVONTVPVTSN-OAQYLSRUSA-N 2 2 391.987 3.884 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000818233590 896092321 /nfs/dbraw/zinc/09/23/21/896092321.db2.gz QLSKWJPMAVCTMW-IAGOWNOFSA-N 2 2 376.526 3.859 20 0 GHADLP CNC(=O)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000566216209 896177416 /nfs/dbraw/zinc/17/74/16/896177416.db2.gz UVKYNTIHGKPYRM-VXKWHMMOSA-N 2 2 377.532 3.651 20 0 GHADLP CNC(=O)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000566216209 896177421 /nfs/dbraw/zinc/17/74/21/896177421.db2.gz UVKYNTIHGKPYRM-VXKWHMMOSA-N 2 2 377.532 3.651 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cn2ccccc2n1 ZINC000566474146 896331750 /nfs/dbraw/zinc/33/17/50/896331750.db2.gz FKRVWAIZGFMLLB-IRXDYDNUSA-N 2 2 381.499 3.637 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](O)c3ccc(F)cc3Cl)CC2)cc1 ZINC000819108456 896415454 /nfs/dbraw/zinc/41/54/54/896415454.db2.gz FIXLTOWGZYNYLR-NRFANRHFSA-N 2 2 391.918 3.837 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)c3cc(C)cc(C)c3)CC2)cc1 ZINC000819349085 896593397 /nfs/dbraw/zinc/59/33/97/896593397.db2.gz HVDYKWOZRXCZIN-XMMPIXPASA-N 2 2 395.547 3.549 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c(C)c1 ZINC000826284344 896920023 /nfs/dbraw/zinc/92/00/23/896920023.db2.gz QRTRGSWBUVZRCM-UWJYYQICSA-N 2 2 387.491 3.772 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC000883187438 897350488 /nfs/dbraw/zinc/35/04/88/897350488.db2.gz OCANWYYQXYJQSJ-OAQYLSRUSA-N 2 2 378.532 3.772 20 0 GHADLP CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000567802065 897408633 /nfs/dbraw/zinc/40/86/33/897408633.db2.gz SJVLBGHOORBEJO-SFHVURJKSA-N 2 2 376.504 3.603 20 0 GHADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC12CCOCC2 ZINC000567870961 897464324 /nfs/dbraw/zinc/46/43/24/897464324.db2.gz BLPLTIWPYQQCOJ-OAHLLOKOSA-N 2 2 396.375 3.912 20 0 GHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC12CCOCC2 ZINC000567870961 897464335 /nfs/dbraw/zinc/46/43/35/897464335.db2.gz BLPLTIWPYQQCOJ-OAHLLOKOSA-N 2 2 396.375 3.912 20 0 GHADLP Clc1ccc(-c2ccc(C[NH+]3CCC(c4nnc5n4CC[NH2+]C5)CC3)o2)cc1 ZINC000567871577 897464422 /nfs/dbraw/zinc/46/44/22/897464422.db2.gz SORXRMXTZLUHGW-UHFFFAOYSA-N 2 2 397.910 3.674 20 0 GHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000883386159 897548368 /nfs/dbraw/zinc/54/83/68/897548368.db2.gz APEVOOYBFCHHCF-XXBNENTESA-N 3 2 378.520 3.916 20 0 GHADLP CCC[NH+]1CCC([NH2+]Cc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)CC1 ZINC000821110200 897749764 /nfs/dbraw/zinc/74/97/64/897749764.db2.gz XTPZROOLJZTZQS-UHFFFAOYSA-N 2 2 382.537 3.559 20 0 GHADLP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000103311532 898084276 /nfs/dbraw/zinc/08/42/76/898084276.db2.gz QOPXYLXVRBYQJN-UHFFFAOYSA-N 2 2 395.551 3.806 20 0 GHADLP CC(C)[NH2+]C1CCN(Cc2ccccc2C[NH+]2CCC([NH2+]C(C)C)CC2)CC1 ZINC000108372240 898378314 /nfs/dbraw/zinc/37/83/14/898378314.db2.gz ZIAFBBNTULEYAX-UHFFFAOYSA-N 3 2 386.628 3.611 20 0 GHADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000569358791 898571856 /nfs/dbraw/zinc/57/18/56/898571856.db2.gz LYTCDZZCJPZACQ-HKBOAZHASA-N 2 2 387.474 3.613 20 0 GHADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000569358791 898571871 /nfs/dbraw/zinc/57/18/71/898571871.db2.gz LYTCDZZCJPZACQ-HKBOAZHASA-N 2 2 387.474 3.613 20 0 GHADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000110069993 898645662 /nfs/dbraw/zinc/64/56/62/898645662.db2.gz NAAMJLLTTHAXKB-LJQANCHMSA-N 2 2 399.539 3.596 20 0 GHADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000110069993 898645670 /nfs/dbraw/zinc/64/56/70/898645670.db2.gz NAAMJLLTTHAXKB-LJQANCHMSA-N 2 2 399.539 3.596 20 0 GHADLP C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000110069997 898645967 /nfs/dbraw/zinc/64/59/67/898645967.db2.gz NAAMJLLTTHAXKB-IBGZPJMESA-N 2 2 399.539 3.596 20 0 GHADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000110069997 898645971 /nfs/dbraw/zinc/64/59/71/898645971.db2.gz NAAMJLLTTHAXKB-IBGZPJMESA-N 2 2 399.539 3.596 20 0 GHADLP CC(C)(C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1)c1c[nH+]c[nH]1 ZINC000570096193 899121949 /nfs/dbraw/zinc/12/19/49/899121949.db2.gz HFWKHDUUBKSXSB-OAQYLSRUSA-N 2 2 394.563 3.837 20 0 GHADLP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)c2cccs2)CC1 ZINC000570326758 899264924 /nfs/dbraw/zinc/26/49/24/899264924.db2.gz FVJXXZSDLZHXTL-LPHOPBHVSA-N 2 2 393.503 3.616 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1C)CCC2 ZINC000570390989 899299311 /nfs/dbraw/zinc/29/93/11/899299311.db2.gz RFVIYLSUVVIBGX-QUCCMNQESA-N 2 2 385.552 3.704 20 0 GHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001136811946 899353817 /nfs/dbraw/zinc/35/38/17/899353817.db2.gz RYEXVADBJJTEFD-PZJWPPBQSA-N 2 2 380.536 3.528 20 0 GHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001136811946 899353819 /nfs/dbraw/zinc/35/38/19/899353819.db2.gz RYEXVADBJJTEFD-PZJWPPBQSA-N 2 2 380.536 3.528 20 0 GHADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000824477404 899620733 /nfs/dbraw/zinc/62/07/33/899620733.db2.gz RDOHQKBPUIKCJL-CQSZACIVSA-N 2 2 390.915 3.871 20 0 GHADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)C2)C1 ZINC000571067569 899730088 /nfs/dbraw/zinc/73/00/88/899730088.db2.gz HPJAKWVYSUOIRY-IBGZPJMESA-N 2 2 378.442 3.809 20 0 GHADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)C2)C1 ZINC000571067569 899730094 /nfs/dbraw/zinc/73/00/94/899730094.db2.gz HPJAKWVYSUOIRY-IBGZPJMESA-N 2 2 378.442 3.809 20 0 GHADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)C2)C1 ZINC000571067569 899730106 /nfs/dbraw/zinc/73/01/06/899730106.db2.gz HPJAKWVYSUOIRY-IBGZPJMESA-N 2 2 378.442 3.809 20 0 GHADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)C2)C1 ZINC000571067569 899730116 /nfs/dbraw/zinc/73/01/16/899730116.db2.gz HPJAKWVYSUOIRY-IBGZPJMESA-N 2 2 378.442 3.809 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000824988424 899930291 /nfs/dbraw/zinc/93/02/91/899930291.db2.gz LJTMTCPPLKROLT-AYHJJNSGSA-N 2 2 376.907 3.747 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000824988424 899930301 /nfs/dbraw/zinc/93/03/01/899930301.db2.gz LJTMTCPPLKROLT-AYHJJNSGSA-N 2 2 376.907 3.747 20 0 GHADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000825140465 900002190 /nfs/dbraw/zinc/00/21/90/900002190.db2.gz JMUKQFHEGOWJTF-NRFANRHFSA-N 2 2 376.508 3.572 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000333243105 900062163 /nfs/dbraw/zinc/06/21/63/900062163.db2.gz ITQWVHPYBFZXPD-QGZVFWFLSA-N 2 2 381.524 3.524 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000333243105 900062172 /nfs/dbraw/zinc/06/21/72/900062172.db2.gz ITQWVHPYBFZXPD-QGZVFWFLSA-N 2 2 381.524 3.524 20 0 GHADLP Cc1ccc2nc(C[N@@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)ccc2c1 ZINC001137214575 900315114 /nfs/dbraw/zinc/31/51/14/900315114.db2.gz VHPCLQBUIIKMRW-XUZZJYLKSA-N 2 2 379.548 3.866 20 0 GHADLP Cc1ccc2nc(C[N@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)ccc2c1 ZINC001137214575 900315128 /nfs/dbraw/zinc/31/51/28/900315128.db2.gz VHPCLQBUIIKMRW-XUZZJYLKSA-N 2 2 379.548 3.866 20 0 GHADLP Cc1ccc2nc(C[NH+]3C[C@@H]4C[N@H+](CC5CCCC5)CCO[C@@H]4C3)ccc2c1 ZINC001137214575 900315138 /nfs/dbraw/zinc/31/51/38/900315138.db2.gz VHPCLQBUIIKMRW-XUZZJYLKSA-N 2 2 379.548 3.866 20 0 GHADLP Cc1ccc2nc(C[NH+]3C[C@@H]4C[N@@H+](CC5CCCC5)CCO[C@@H]4C3)ccc2c1 ZINC001137214575 900315151 /nfs/dbraw/zinc/31/51/51/900315151.db2.gz VHPCLQBUIIKMRW-XUZZJYLKSA-N 2 2 379.548 3.866 20 0 GHADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000573397917 900494626 /nfs/dbraw/zinc/49/46/26/900494626.db2.gz KJKRRGNGNIVFCQ-RDJZCZTQSA-N 2 2 384.549 3.758 20 0 GHADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000573397917 900494628 /nfs/dbraw/zinc/49/46/28/900494628.db2.gz KJKRRGNGNIVFCQ-RDJZCZTQSA-N 2 2 384.549 3.758 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cc(=O)oc4cc(O)ccc34)C2)s1 ZINC000844325952 900730812 /nfs/dbraw/zinc/73/08/12/900730812.db2.gz FDBFXTUJBJLFNX-MRXNPFEDSA-N 2 2 398.528 3.822 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cc(=O)oc4cc(O)ccc34)C2)s1 ZINC000844325952 900730822 /nfs/dbraw/zinc/73/08/22/900730822.db2.gz FDBFXTUJBJLFNX-MRXNPFEDSA-N 2 2 398.528 3.822 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cc(=O)oc4cc(O)ccc34)C2)s1 ZINC000844325952 900730834 /nfs/dbraw/zinc/73/08/34/900730834.db2.gz FDBFXTUJBJLFNX-MRXNPFEDSA-N 2 2 398.528 3.822 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cn1 ZINC000886509010 901100150 /nfs/dbraw/zinc/10/01/50/901100150.db2.gz XLYWETFVTDLEHD-VABKMULXSA-N 3 2 387.531 3.718 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000886509010 901100159 /nfs/dbraw/zinc/10/01/59/901100159.db2.gz XLYWETFVTDLEHD-VABKMULXSA-N 3 2 387.531 3.718 20 0 GHADLP COC[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(Cl)c1F ZINC000575459962 901237707 /nfs/dbraw/zinc/23/77/07/901237707.db2.gz IEJYJEAZLZPDDZ-GOSISDBHSA-N 2 2 380.891 3.897 20 0 GHADLP c1ccc2c(c1)cccc2C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826522679 901389740 /nfs/dbraw/zinc/38/97/40/901389740.db2.gz KCTCQZQZCTVGGA-UHFFFAOYSA-N 2 2 398.514 3.774 20 0 GHADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000826513757 901393476 /nfs/dbraw/zinc/39/34/76/901393476.db2.gz VEYFHLSTGBYOQG-SYYKKAFVSA-N 2 2 394.567 3.780 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090523751 901434354 /nfs/dbraw/zinc/43/43/54/901434354.db2.gz ZKSOOGGARFKFBE-IMRHEYAYSA-N 3 2 382.552 3.599 20 0 GHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2nc3ccc(Br)cc3s2)CCCO1 ZINC000775016046 914537799 /nfs/dbraw/zinc/53/77/99/914537799.db2.gz MQLYCHZABVEUPL-ZDUSSCGKSA-N 2 2 398.370 3.649 20 0 GHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2nc3ccc(Br)cc3s2)CCCO1 ZINC000775016046 914537804 /nfs/dbraw/zinc/53/78/04/914537804.db2.gz MQLYCHZABVEUPL-ZDUSSCGKSA-N 2 2 398.370 3.649 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000575958170 901520688 /nfs/dbraw/zinc/52/06/88/901520688.db2.gz CJNPILOLGBPQCH-JOCHJYFZSA-N 2 2 376.500 3.990 20 0 GHADLP CN(C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)[C@@H]1CCCc2ccccc21 ZINC000576381217 901986329 /nfs/dbraw/zinc/98/63/29/901986329.db2.gz VNHOUSSMACNCFI-HSZRJFAPSA-N 2 2 394.563 3.911 20 0 GHADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000333436824 902089088 /nfs/dbraw/zinc/08/90/88/902089088.db2.gz VMYUMQICXOMLEO-DYESRHJHSA-N 2 2 393.535 3.977 20 0 GHADLP C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000576841651 902295881 /nfs/dbraw/zinc/29/58/81/902295881.db2.gz XJFSNPHFRDBPNN-UXJHKWJQSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000576841651 902295896 /nfs/dbraw/zinc/29/58/96/902295896.db2.gz XJFSNPHFRDBPNN-UXJHKWJQSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000127467524 902487331 /nfs/dbraw/zinc/48/73/31/902487331.db2.gz OLIGWQXPMFMKEX-GOSISDBHSA-N 2 2 383.517 3.528 20 0 GHADLP CN(C(=O)Nc1cccc(C2CC2)n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000577354293 902709310 /nfs/dbraw/zinc/70/93/10/902709310.db2.gz CFSWMZBILPQGRN-LEWJYISDSA-N 2 2 399.583 3.760 20 0 GHADLP CN(C(=O)Nc1cccc(C2CC2)n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000577354293 902709324 /nfs/dbraw/zinc/70/93/24/902709324.db2.gz CFSWMZBILPQGRN-LEWJYISDSA-N 2 2 399.583 3.760 20 0 GHADLP C[C@H]1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)C[C@H]1n1cc[nH+]c1 ZINC000129395773 902803152 /nfs/dbraw/zinc/80/31/52/902803152.db2.gz DUYUFXMLPUGHJP-FXAWDEMLSA-N 2 2 399.564 3.547 20 0 GHADLP c1ccc(C[NH+]2CC[C@@H](NCC[N@@H+]3CCc4ccccc4C3)CC23CC3)cc1 ZINC000577729661 903135531 /nfs/dbraw/zinc/13/55/31/903135531.db2.gz VBYDULLEPYHMEQ-XMMPIXPASA-N 2 2 375.560 3.832 20 0 GHADLP c1ccc(C[NH+]2CC[C@@H](NCC[N@H+]3CCc4ccccc4C3)CC23CC3)cc1 ZINC000577729661 903135538 /nfs/dbraw/zinc/13/55/38/903135538.db2.gz VBYDULLEPYHMEQ-XMMPIXPASA-N 2 2 375.560 3.832 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@H](NCC[NH+]3CCc4ccccc4C3)CC23CC3)cc1 ZINC000577729661 903135546 /nfs/dbraw/zinc/13/55/46/903135546.db2.gz VBYDULLEPYHMEQ-XMMPIXPASA-N 2 2 375.560 3.832 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@H](NCC[NH+]3CCc4ccccc4C3)CC23CC3)cc1 ZINC000577729661 903135548 /nfs/dbraw/zinc/13/55/48/903135548.db2.gz VBYDULLEPYHMEQ-XMMPIXPASA-N 2 2 375.560 3.832 20 0 GHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000577782837 903184556 /nfs/dbraw/zinc/18/45/56/903184556.db2.gz OXTJMBYSSMXULG-BEFAXECRSA-N 2 2 380.458 3.722 20 0 GHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000577782837 903184560 /nfs/dbraw/zinc/18/45/60/903184560.db2.gz OXTJMBYSSMXULG-BEFAXECRSA-N 2 2 380.458 3.722 20 0 GHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000577782837 903184563 /nfs/dbraw/zinc/18/45/63/903184563.db2.gz OXTJMBYSSMXULG-BEFAXECRSA-N 2 2 380.458 3.722 20 0 GHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000577782837 903184570 /nfs/dbraw/zinc/18/45/70/903184570.db2.gz OXTJMBYSSMXULG-BEFAXECRSA-N 2 2 380.458 3.722 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1Br ZINC000132874205 903321604 /nfs/dbraw/zinc/32/16/04/903321604.db2.gz HIWRQGAWQNXSDN-KGLIPLIRSA-N 2 2 385.321 3.740 20 0 GHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000265086238 903620835 /nfs/dbraw/zinc/62/08/35/903620835.db2.gz ZYYBLPHCLXZJEV-PZJWPPBQSA-N 2 2 380.536 3.658 20 0 GHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000265086238 903620844 /nfs/dbraw/zinc/62/08/44/903620844.db2.gz ZYYBLPHCLXZJEV-PZJWPPBQSA-N 2 2 380.536 3.658 20 0 GHADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Br)ccc3OC(F)F)C[C@@H]21 ZINC000578507523 903916497 /nfs/dbraw/zinc/91/64/97/903916497.db2.gz USHMYVACGSAINL-DDTOSNHZSA-N 2 2 375.257 3.610 20 0 GHADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3OC(F)F)C[C@@H]21 ZINC000578507523 903916507 /nfs/dbraw/zinc/91/65/07/903916507.db2.gz USHMYVACGSAINL-DDTOSNHZSA-N 2 2 375.257 3.610 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000152053220 904228033 /nfs/dbraw/zinc/22/80/33/904228033.db2.gz VSOZDLJLBSQZBU-GHTZIAJQSA-N 2 2 383.540 3.516 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000152053220 904228046 /nfs/dbraw/zinc/22/80/46/904228046.db2.gz VSOZDLJLBSQZBU-GHTZIAJQSA-N 2 2 383.540 3.516 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000152053053 904228109 /nfs/dbraw/zinc/22/81/09/904228109.db2.gz VSOZDLJLBSQZBU-RXVVDRJESA-N 2 2 383.540 3.516 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000152053053 904228124 /nfs/dbraw/zinc/22/81/24/904228124.db2.gz VSOZDLJLBSQZBU-RXVVDRJESA-N 2 2 383.540 3.516 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171359498 904347345 /nfs/dbraw/zinc/34/73/45/904347345.db2.gz DSESMNWQKWXFPR-WWPVKYPJSA-N 2 2 386.486 3.701 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171359498 904347358 /nfs/dbraw/zinc/34/73/58/904347358.db2.gz DSESMNWQKWXFPR-WWPVKYPJSA-N 2 2 386.486 3.701 20 0 GHADLP Fc1cc(F)c2c(c1)C[C@@H](N(c1cccc[nH+]1)[C@H]1COC3(C1)CC[NH2+]CC3)CC2 ZINC001171368300 904362060 /nfs/dbraw/zinc/36/20/60/904362060.db2.gz DDQYCHFYWIGUKP-RBUKOAKNSA-N 2 2 399.485 3.635 20 0 GHADLP Fc1cc2c(cc1F)C[C@H](N(c1cccc[nH+]1)[C@@H]1COC3(C1)CC[NH2+]CC3)CC2 ZINC001171483503 904726935 /nfs/dbraw/zinc/72/69/35/904726935.db2.gz MXMSGODNSUDUGW-MOPGFXCFSA-N 2 2 399.485 3.635 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@H]2CCCN(C(=O)c3ccccc3)CC2)[nH+]c1 ZINC001171907781 905139537 /nfs/dbraw/zinc/13/95/37/905139537.db2.gz ZMEGQWLWBXNJNV-NRFANRHFSA-N 2 2 392.547 3.643 20 0 GHADLP Cc1c[nH+]ccc1N1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171983763 905239050 /nfs/dbraw/zinc/23/90/50/905239050.db2.gz AHGSUFLUTOMWNL-QFIPXVFZSA-N 3 2 378.564 3.955 20 0 GHADLP Cc1c[nH+]ccc1N1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171983763 905239059 /nfs/dbraw/zinc/23/90/59/905239059.db2.gz AHGSUFLUTOMWNL-QFIPXVFZSA-N 3 2 378.564 3.955 20 0 GHADLP CCCNC(=O)[C@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172073844 905282083 /nfs/dbraw/zinc/28/20/83/905282083.db2.gz CYUXDTDMDOXORC-KAOXLYBCSA-N 2 2 383.580 3.953 20 0 GHADLP CCCNC(=O)[C@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172073844 905282089 /nfs/dbraw/zinc/28/20/89/905282089.db2.gz CYUXDTDMDOXORC-KAOXLYBCSA-N 2 2 383.580 3.953 20 0 GHADLP CCCNC(=O)[C@H]1CCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172073844 905282105 /nfs/dbraw/zinc/28/21/05/905282105.db2.gz CYUXDTDMDOXORC-KAOXLYBCSA-N 2 2 383.580 3.953 20 0 GHADLP CCCNC(=O)[C@H]1CCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073844 905282121 /nfs/dbraw/zinc/28/21/21/905282121.db2.gz CYUXDTDMDOXORC-KAOXLYBCSA-N 2 2 383.580 3.953 20 0 GHADLP O=C(C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1ccc(F)cc1 ZINC001172068159 905333137 /nfs/dbraw/zinc/33/31/37/905333137.db2.gz TYPPIRLSPKQIEG-DKUWSORSSA-N 2 2 381.495 3.940 20 0 GHADLP O=C(C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccc(F)cc1 ZINC001172068159 905333156 /nfs/dbraw/zinc/33/31/56/905333156.db2.gz TYPPIRLSPKQIEG-DKUWSORSSA-N 2 2 381.495 3.940 20 0 GHADLP Cc1cccn2c(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)nnc12 ZINC001172069497 905337152 /nfs/dbraw/zinc/33/71/52/905337152.db2.gz UKIQFERPXLJFQT-WKCHPHFGSA-N 2 2 375.520 3.713 20 0 GHADLP Cc1cccn2c(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)nnc12 ZINC001172069497 905337172 /nfs/dbraw/zinc/33/71/72/905337172.db2.gz UKIQFERPXLJFQT-WKCHPHFGSA-N 2 2 375.520 3.713 20 0 GHADLP c1ccc(N([C@@H]2COC3(C2)CC[NH2+]CC3)[C@H]2CSc3ccccc3C2)[nH+]c1 ZINC001172202164 905397348 /nfs/dbraw/zinc/39/73/48/905397348.db2.gz DBZKFOCYLFUYBK-MOPGFXCFSA-N 2 2 381.545 3.516 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001172210910 905409846 /nfs/dbraw/zinc/40/98/46/905409846.db2.gz MONBIUNXRCQDAD-FUHYEJFZSA-N 2 2 390.955 3.767 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001172210910 905409859 /nfs/dbraw/zinc/40/98/59/905409859.db2.gz MONBIUNXRCQDAD-FUHYEJFZSA-N 2 2 390.955 3.767 20 0 GHADLP COCCC[NH+]1CCC([NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)CC1 ZINC001172250674 905447663 /nfs/dbraw/zinc/44/76/63/905447663.db2.gz DUAYVDCRMFDXKH-UHFFFAOYSA-N 3 2 391.625 3.537 20 0 GHADLP COCCC[NH+]1CCC([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CC1 ZINC001172250674 905447672 /nfs/dbraw/zinc/44/76/72/905447672.db2.gz DUAYVDCRMFDXKH-UHFFFAOYSA-N 3 2 391.625 3.537 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCCCC2)CC[C@@H]1F ZINC001206173655 905735420 /nfs/dbraw/zinc/73/54/20/905735420.db2.gz JHDCDVIZEPYKFA-IRXDYDNUSA-N 2 2 384.337 3.701 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(Br)cc2N2CCCCC2)CC[C@@H]1F ZINC001206173655 905735428 /nfs/dbraw/zinc/73/54/28/905735428.db2.gz JHDCDVIZEPYKFA-IRXDYDNUSA-N 2 2 384.337 3.701 20 0 GHADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001172959698 906066673 /nfs/dbraw/zinc/06/66/73/906066673.db2.gz PSFNXSDPHNWVHB-KRWDZBQOSA-N 2 2 391.556 3.592 20 0 GHADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177489988 906147112 /nfs/dbraw/zinc/14/71/12/906147112.db2.gz AFESNFXXEXTKRW-IBGZPJMESA-N 2 2 389.584 3.924 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)[nH+]c1 ZINC001173072000 906164308 /nfs/dbraw/zinc/16/43/08/906164308.db2.gz ITTRPPVDYNDQBH-MJGOQNOKSA-N 2 2 388.556 3.736 20 0 GHADLP C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000190958237 906479225 /nfs/dbraw/zinc/47/92/25/906479225.db2.gz HKFYAEMPYLTQQI-CYBMUJFWSA-N 2 2 395.881 3.926 20 0 GHADLP O=C(c1ccc(F)c(Cl)c1)N1CCC([NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC001173785671 906709542 /nfs/dbraw/zinc/70/95/42/906709542.db2.gz YCDZKGWGHUFNIL-UHFFFAOYSA-N 2 2 390.890 3.617 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629652756 906931029 /nfs/dbraw/zinc/93/10/29/906931029.db2.gz BRRGSYZUWBFCHU-PKOBYXMFSA-N 2 2 380.458 3.507 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629652756 906931036 /nfs/dbraw/zinc/93/10/36/906931036.db2.gz BRRGSYZUWBFCHU-PKOBYXMFSA-N 2 2 380.458 3.507 20 0 GHADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)CC[C@@H]1C(F)(F)F ZINC000629656813 906935030 /nfs/dbraw/zinc/93/50/30/906935030.db2.gz RCVFFIXXLXWPMX-AEFFLSMTSA-N 2 2 379.426 3.620 20 0 GHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)CC[C@@H]1C(F)(F)F ZINC000629656813 906935040 /nfs/dbraw/zinc/93/50/40/906935040.db2.gz RCVFFIXXLXWPMX-AEFFLSMTSA-N 2 2 379.426 3.620 20 0 GHADLP COCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000181589066 907032552 /nfs/dbraw/zinc/03/25/52/907032552.db2.gz ZFKGIMRVSQACND-RTBURBONSA-N 2 2 383.536 3.983 20 0 GHADLP C[NH+]1CCN(c2ccc(Nc3cc(Br)cn4cc[nH+]c34)cc2)CC1 ZINC001174815036 907214585 /nfs/dbraw/zinc/21/45/85/907214585.db2.gz INYJRTNJFIRYFB-UHFFFAOYSA-N 2 2 386.297 3.592 20 0 GHADLP Cc1ccc(NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c(N(C)C)[nH+]1 ZINC000801694314 921392974 /nfs/dbraw/zinc/39/29/74/921392974.db2.gz ZYOZDABIJIUDAN-QGZVFWFLSA-N 2 2 375.904 3.534 20 0 GHADLP Cn1c[nH+]cc1C1CC[NH+](C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001176978385 908344694 /nfs/dbraw/zinc/34/46/94/908344694.db2.gz SILNRKCTHVPEOJ-KRWDZBQOSA-N 2 2 376.545 3.637 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C(C)(C)C)c(Cl)c1 ZINC000633787005 908487367 /nfs/dbraw/zinc/48/73/67/908487367.db2.gz IRDOMRQSEPKKPF-UHFFFAOYSA-N 2 2 379.976 3.736 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C(C)(C)C)c(Cl)c1 ZINC000633787005 908487373 /nfs/dbraw/zinc/48/73/73/908487373.db2.gz IRDOMRQSEPKKPF-UHFFFAOYSA-N 2 2 379.976 3.736 20 0 GHADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000191838229 908682400 /nfs/dbraw/zinc/68/24/00/908682400.db2.gz CYSIVXUYUQDOFF-MBSDFSHPSA-N 2 2 381.520 3.587 20 0 GHADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000191838229 908682411 /nfs/dbraw/zinc/68/24/11/908682411.db2.gz CYSIVXUYUQDOFF-MBSDFSHPSA-N 2 2 381.520 3.587 20 0 GHADLP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3csc(Br)c3)c2)CC1 ZINC001177636811 908683983 /nfs/dbraw/zinc/68/39/83/908683983.db2.gz GVKUBMNGLWRZOC-UHFFFAOYSA-N 2 2 394.382 3.548 20 0 GHADLP CC[NH+]1CCC(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)(c2ccccc2)CC1 ZINC001178094053 908899607 /nfs/dbraw/zinc/89/96/07/908899607.db2.gz AGHJILPFCZMJBJ-UHFFFAOYSA-N 2 2 392.547 3.538 20 0 GHADLP Cc1cccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1Br ZINC001178232269 908969214 /nfs/dbraw/zinc/96/92/14/908969214.db2.gz OSBIBWRTYXMIKN-KRWDZBQOSA-N 2 2 389.341 3.905 20 0 GHADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000266142359 909017831 /nfs/dbraw/zinc/01/78/31/909017831.db2.gz URJASLAMLXWSDU-NSHDSACASA-N 2 2 377.838 3.760 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000266900469 909332839 /nfs/dbraw/zinc/33/28/39/909332839.db2.gz UAMKTXVJUBUWIE-SJORKVTESA-N 2 2 398.532 3.534 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC001180083483 909936694 /nfs/dbraw/zinc/93/66/94/909936694.db2.gz ZQYPTWPMILDCKV-AWEZNQCLSA-N 2 2 378.410 3.657 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC001180083483 909936703 /nfs/dbraw/zinc/93/67/03/909936703.db2.gz ZQYPTWPMILDCKV-AWEZNQCLSA-N 2 2 378.410 3.657 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000268732473 909988576 /nfs/dbraw/zinc/98/85/76/909988576.db2.gz AMECAVHNPCIIFC-KRWDZBQOSA-N 2 2 398.532 3.544 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc2ccccc2o1 ZINC000268838558 910040804 /nfs/dbraw/zinc/04/08/04/910040804.db2.gz SSNMUCZJQPVFQA-KRWDZBQOSA-N 2 2 377.488 3.671 20 0 GHADLP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)nc(C)[nH+]1 ZINC000269053157 910120779 /nfs/dbraw/zinc/12/07/79/910120779.db2.gz IOZGHYVHKUZKQD-WZONZLPQSA-N 3 2 393.579 3.562 20 0 GHADLP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)nc(C)[nH+]1 ZINC000269053157 910120790 /nfs/dbraw/zinc/12/07/90/910120790.db2.gz IOZGHYVHKUZKQD-WZONZLPQSA-N 3 2 393.579 3.562 20 0 GHADLP Fc1ccc2ccc(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)nc2c1F ZINC000638385766 910140607 /nfs/dbraw/zinc/14/06/07/910140607.db2.gz HBNOHWWCJMHKAT-UHFFFAOYSA-N 2 2 383.442 3.635 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638843913 910250838 /nfs/dbraw/zinc/25/08/38/910250838.db2.gz RDNKNIISHQZYBD-NZQKXSOJSA-N 2 2 398.572 3.938 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638843913 910250850 /nfs/dbraw/zinc/25/08/50/910250850.db2.gz RDNKNIISHQZYBD-NZQKXSOJSA-N 2 2 398.572 3.938 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1)c1nnc2n1CCC2 ZINC000638908270 910273860 /nfs/dbraw/zinc/27/38/60/910273860.db2.gz ZTTVDPFNGYPSJY-JPYJTQIMSA-N 2 2 381.568 3.813 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)c1nnc2n1CCC2 ZINC000638908270 910273862 /nfs/dbraw/zinc/27/38/62/910273862.db2.gz ZTTVDPFNGYPSJY-JPYJTQIMSA-N 2 2 381.568 3.813 20 0 GHADLP CC1CC[NH+](C2CCC(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)CC1 ZINC000269814818 910360101 /nfs/dbraw/zinc/36/01/01/910360101.db2.gz OECMYRDFFDXGEC-UHFFFAOYSA-N 2 2 380.536 3.704 20 0 GHADLP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270205073 910479917 /nfs/dbraw/zinc/47/99/17/910479917.db2.gz FNWCLPJMCGSSSA-SFHVURJKSA-N 2 2 379.508 3.550 20 0 GHADLP COc1ccc(C[N@H+](CCc2ccccn2)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC001181417787 910748429 /nfs/dbraw/zinc/74/84/29/910748429.db2.gz DXKLMRSLWDPCIL-UHFFFAOYSA-N 2 2 399.498 3.916 20 0 GHADLP COc1ccc(C[N@@H+](CCc2ccccn2)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC001181417787 910748437 /nfs/dbraw/zinc/74/84/37/910748437.db2.gz DXKLMRSLWDPCIL-UHFFFAOYSA-N 2 2 399.498 3.916 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc(Br)ccc1F ZINC000271561506 910959684 /nfs/dbraw/zinc/95/96/84/910959684.db2.gz WYXJZPNLYUNOSZ-IGNZVWTISA-N 2 2 385.321 3.617 20 0 GHADLP CCC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)Cc1ccccc1F ZINC001182910287 912139477 /nfs/dbraw/zinc/13/94/77/912139477.db2.gz MCFIIZDYXSBQBY-UHFFFAOYSA-N 2 2 386.511 3.949 20 0 GHADLP CCC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)Cc1ccccc1F ZINC001182910287 912139484 /nfs/dbraw/zinc/13/94/84/912139484.db2.gz MCFIIZDYXSBQBY-UHFFFAOYSA-N 2 2 386.511 3.949 20 0 GHADLP [NH3+]C[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000647829616 915401752 /nfs/dbraw/zinc/40/17/52/915401752.db2.gz DFWDGKHHWNZACS-UGSOOPFHSA-N 2 2 378.303 3.954 20 0 GHADLP [NH3+]C[C@@H]1CC[N@H+]([C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000647829616 915401763 /nfs/dbraw/zinc/40/17/63/915401763.db2.gz DFWDGKHHWNZACS-UGSOOPFHSA-N 2 2 378.303 3.954 20 0 GHADLP CN(C(=O)c1cccc2ccncc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000648351043 915642673 /nfs/dbraw/zinc/64/26/73/915642673.db2.gz DWJGDOFMDIZXEG-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cccc2ccncc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000648351043 915642680 /nfs/dbraw/zinc/64/26/80/915642680.db2.gz DWJGDOFMDIZXEG-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP c1cn([C@H]2CCc3ccccc3[C@@H]2[NH2+]Cc2cnnn2Cc2ccccc2)c[nH+]1 ZINC000292790043 915846467 /nfs/dbraw/zinc/84/64/67/915846467.db2.gz MFOMEWXBQOAIOF-GOTSBHOMSA-N 2 2 384.487 3.541 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1CC1CC[NH2+]CC1 ZINC000649278101 916091060 /nfs/dbraw/zinc/09/10/60/916091060.db2.gz LINNCRZFUGWMAE-UHFFFAOYSA-N 2 2 398.576 3.923 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccco2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001203285138 916813999 /nfs/dbraw/zinc/81/39/99/916813999.db2.gz VISNIORRZPHBFE-UHFFFAOYSA-N 2 2 377.529 3.575 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccco2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001203285138 916814017 /nfs/dbraw/zinc/81/40/17/916814017.db2.gz VISNIORRZPHBFE-UHFFFAOYSA-N 2 2 377.529 3.575 20 0 GHADLP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000650417740 916971108 /nfs/dbraw/zinc/97/11/08/916971108.db2.gz XXNKVFUIHFZZPZ-UHFFFAOYSA-N 2 2 399.564 3.940 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccccc3Sc3ccccc3)C2)CC1 ZINC000363054149 917689811 /nfs/dbraw/zinc/68/98/11/917689811.db2.gz QUPKHFJAIKJZQD-SFHVURJKSA-N 2 2 395.572 3.736 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccccc3Sc3ccccc3)C2)CC1 ZINC000363054149 917689822 /nfs/dbraw/zinc/68/98/22/917689822.db2.gz QUPKHFJAIKJZQD-SFHVURJKSA-N 2 2 395.572 3.736 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000296275247 918078768 /nfs/dbraw/zinc/07/87/68/918078768.db2.gz CAOXJSNMLQSVLD-RTFZILSDSA-N 2 2 381.520 3.902 20 0 GHADLP CCN(C(=O)CCCCCC[NH3+])C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000364852192 920086639 /nfs/dbraw/zinc/08/66/39/920086639.db2.gz SVGUQBKZBCSDQT-UHFFFAOYSA-N 2 2 389.588 3.635 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000367132521 921937830 /nfs/dbraw/zinc/93/78/30/921937830.db2.gz CMCZLDKTGJGLJX-GFCCVEGCSA-N 2 2 375.270 3.703 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000367132521 921937836 /nfs/dbraw/zinc/93/78/36/921937836.db2.gz CMCZLDKTGJGLJX-GFCCVEGCSA-N 2 2 375.270 3.703 20 0 GHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1-n1ccnn1 ZINC000367639411 922246690 /nfs/dbraw/zinc/24/66/90/922246690.db2.gz UXZRLFWIHSUCOL-ODIFPOPNSA-N 2 2 393.457 3.723 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(C(F)(F)F)cn1 ZINC000902756255 922469486 /nfs/dbraw/zinc/46/94/86/922469486.db2.gz DKDHEKNWKIOYCE-INIZCTEOSA-N 2 2 392.469 3.699 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(C(F)(F)F)cn1 ZINC000902756255 922469495 /nfs/dbraw/zinc/46/94/95/922469495.db2.gz DKDHEKNWKIOYCE-INIZCTEOSA-N 2 2 392.469 3.699 20 0 GHADLP CC(=O)OCc1cccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000903139066 922800814 /nfs/dbraw/zinc/80/08/14/922800814.db2.gz DAYRCWXBTMQOJB-KRWDZBQOSA-N 2 2 396.535 3.848 20 0 GHADLP CN(C)Cc1csc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000903222627 922866539 /nfs/dbraw/zinc/86/65/39/922866539.db2.gz GYGOQCHVEKXGQD-HMXCVIKNSA-N 2 2 384.593 3.595 20 0 GHADLP CN(C)Cc1csc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000903222627 922866551 /nfs/dbraw/zinc/86/65/51/922866551.db2.gz GYGOQCHVEKXGQD-HMXCVIKNSA-N 2 2 384.593 3.595 20 0 GHADLP CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000369509265 923382063 /nfs/dbraw/zinc/38/20/63/923382063.db2.gz IFJOOIDCBZAYQK-HSZRJFAPSA-N 2 2 380.536 3.875 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000369565164 923432738 /nfs/dbraw/zinc/43/27/38/923432738.db2.gz MFLRYZANXXZGDO-IBGZPJMESA-N 2 2 382.552 3.796 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000369565164 923432747 /nfs/dbraw/zinc/43/27/47/923432747.db2.gz MFLRYZANXXZGDO-IBGZPJMESA-N 2 2 382.552 3.796 20 0 GHADLP C[C@H]1C[C@H](CCNC(=O)Nc2ccc3[nH+]ccn3c2)C[N@@H+]1Cc1ccccc1 ZINC000677078633 924230382 /nfs/dbraw/zinc/23/03/82/924230382.db2.gz SERGLEGRDPUNHE-HKUYNNGSSA-N 2 2 377.492 3.757 20 0 GHADLP C[C@H]1C[C@H](CCNC(=O)Nc2ccc3[nH+]ccn3c2)C[N@H+]1Cc1ccccc1 ZINC000677078633 924230397 /nfs/dbraw/zinc/23/03/97/924230397.db2.gz SERGLEGRDPUNHE-HKUYNNGSSA-N 2 2 377.492 3.757 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000371300301 924514978 /nfs/dbraw/zinc/51/49/78/924514978.db2.gz OEATYVHSJSRSOL-DNVJHFABSA-N 2 2 393.531 3.622 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000371300301 924514989 /nfs/dbraw/zinc/51/49/89/924514989.db2.gz OEATYVHSJSRSOL-DNVJHFABSA-N 2 2 393.531 3.622 20 0 GHADLP Fc1ccccc1[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000678235923 924680563 /nfs/dbraw/zinc/68/05/63/924680563.db2.gz PJLCVKVBYALMCI-HSZRJFAPSA-N 2 2 384.495 3.874 20 0 GHADLP Fc1ccccc1[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000678235923 924680573 /nfs/dbraw/zinc/68/05/73/924680573.db2.gz PJLCVKVBYALMCI-HSZRJFAPSA-N 2 2 384.495 3.874 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1cccc(F)c1 ZINC000409528741 924732405 /nfs/dbraw/zinc/73/24/05/924732405.db2.gz IFPPUGJZEOIUOU-MOPGFXCFSA-N 2 2 377.891 3.501 20 0 GHADLP CS[C@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)C[C@H]1[NH+](C)C ZINC000409726873 924922543 /nfs/dbraw/zinc/92/25/43/924922543.db2.gz JGENNRMAHXPIEG-KGLIPLIRSA-N 2 2 384.318 3.618 20 0 GHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@]3(CO)CCCN(Cc4ccccc4)C3)CC2)C1 ZINC000679042407 925007524 /nfs/dbraw/zinc/00/75/24/925007524.db2.gz BFXGGLQFGTZLGY-SDUSCBPUSA-N 2 2 399.623 3.646 20 0 GHADLP O=C1[C@@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000679217221 925069613 /nfs/dbraw/zinc/06/96/13/925069613.db2.gz WBKJZPWQHZFXRS-WBMJQRKESA-N 2 2 379.291 3.701 20 0 GHADLP O=C1[C@@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000679217221 925069621 /nfs/dbraw/zinc/06/96/21/925069621.db2.gz WBKJZPWQHZFXRS-WBMJQRKESA-N 2 2 379.291 3.701 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000372390695 925384721 /nfs/dbraw/zinc/38/47/21/925384721.db2.gz XCNIBLWMXNGZGD-IBGZPJMESA-N 2 2 382.552 3.796 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000372390695 925384730 /nfs/dbraw/zinc/38/47/30/925384730.db2.gz XCNIBLWMXNGZGD-IBGZPJMESA-N 2 2 382.552 3.796 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000410353621 925561480 /nfs/dbraw/zinc/56/14/80/925561480.db2.gz STADCBRSEAUSEN-IBGZPJMESA-N 2 2 395.551 3.615 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000410353621 925561488 /nfs/dbraw/zinc/56/14/88/925561488.db2.gz STADCBRSEAUSEN-IBGZPJMESA-N 2 2 395.551 3.615 20 0 GHADLP C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218166 925765378 /nfs/dbraw/zinc/76/53/78/925765378.db2.gz DRLMQHWVHPIUIL-JMUQELJHSA-N 2 2 398.595 3.510 20 0 GHADLP C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218166 925765385 /nfs/dbraw/zinc/76/53/85/925765385.db2.gz DRLMQHWVHPIUIL-JMUQELJHSA-N 2 2 398.595 3.510 20 0 GHADLP C[C@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000681662369 925870465 /nfs/dbraw/zinc/87/04/65/925870465.db2.gz NMWBJLBJBNELHO-GOSISDBHSA-N 2 2 378.582 3.739 20 0 GHADLP CC1(C)C[C@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000681987425 925973852 /nfs/dbraw/zinc/97/38/52/925973852.db2.gz FRLNQLFOPXQTEK-IBGZPJMESA-N 2 2 383.502 3.903 20 0 GHADLP CC1(C)C[C@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)C[N@H+]1Cc1ccccc1 ZINC000681987425 925973860 /nfs/dbraw/zinc/97/38/60/925973860.db2.gz FRLNQLFOPXQTEK-IBGZPJMESA-N 2 2 383.502 3.903 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@H]1C ZINC000373482803 926177966 /nfs/dbraw/zinc/17/79/66/926177966.db2.gz IDPIJGZPVWLIHA-ILOXBCRCSA-N 2 2 390.490 3.749 20 0 GHADLP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2)CC1 ZINC000726705302 926814716 /nfs/dbraw/zinc/81/47/16/926814716.db2.gz GMLHPJVFNGLYPK-UHFFFAOYSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@@H](CN1CCOCC1)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000544347420 929078527 /nfs/dbraw/zinc/07/85/27/929078527.db2.gz SUEZAPSOSJQRSU-IBGZPJMESA-N 2 2 396.560 3.657 20 0 GHADLP C[C@@H](CN1CCOCC1)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000544347420 929078538 /nfs/dbraw/zinc/07/85/38/929078538.db2.gz SUEZAPSOSJQRSU-IBGZPJMESA-N 2 2 396.560 3.657 20 0 GHADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000469774784 930153797 /nfs/dbraw/zinc/15/37/97/930153797.db2.gz HVBJGCSZUSTWGT-XPWALMASSA-N 2 2 386.580 3.633 20 0 GHADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000469774784 930153803 /nfs/dbraw/zinc/15/38/03/930153803.db2.gz HVBJGCSZUSTWGT-XPWALMASSA-N 2 2 386.580 3.633 20 0 GHADLP CC[C@H]([NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000557417376 931414231 /nfs/dbraw/zinc/41/42/31/931414231.db2.gz CWTYCFUSTNFTKZ-APWZRJJASA-N 2 2 386.927 3.513 20 0 GHADLP C[C@H](C[NH2+][C@@H](c1cccnc1)c1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000924967417 931598034 /nfs/dbraw/zinc/59/80/34/931598034.db2.gz XPVMWCDYUSVTSC-QRWLVFNGSA-N 2 2 393.362 3.703 20 0 GHADLP O=C(NCc1ccncc1)Nc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000925059232 931630169 /nfs/dbraw/zinc/63/01/69/931630169.db2.gz GWKQILLERQTCIN-YADHBBJMSA-N 2 2 393.535 3.510 20 0 GHADLP O=C(NCc1ccncc1)Nc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000925059232 931630173 /nfs/dbraw/zinc/63/01/73/931630173.db2.gz GWKQILLERQTCIN-YADHBBJMSA-N 2 2 393.535 3.510 20 0 GHADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[NH2+]C2(c3ccc(Cl)cc3)CCCCC2)C1 ZINC000783975894 931737512 /nfs/dbraw/zinc/73/75/12/931737512.db2.gz ZUVOZIJLMVMGGX-INIZCTEOSA-N 2 2 386.927 3.796 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)COc2ccccc2C)c(C)c1 ZINC000557931987 931761555 /nfs/dbraw/zinc/76/15/55/931761555.db2.gz XJEXZFLYZCNXOR-IFMALSPDSA-N 2 2 379.504 3.579 20 0 GHADLP CN(C(=O)c1coc(C(F)F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000626262178 931791403 /nfs/dbraw/zinc/79/14/03/931791403.db2.gz XUSUESYARBSMDV-IAGOWNOFSA-N 2 2 383.483 3.626 20 0 GHADLP CN(C(=O)c1coc(C(F)F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000626262178 931791407 /nfs/dbraw/zinc/79/14/07/931791407.db2.gz XUSUESYARBSMDV-IAGOWNOFSA-N 2 2 383.483 3.626 20 0 GHADLP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000925590678 931833724 /nfs/dbraw/zinc/83/37/24/931833724.db2.gz KDFDXUFYXMVGKR-QQMNAOGKSA-N 2 2 398.526 3.602 20 0 GHADLP Nc1cc[nH+]c(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)c1 ZINC000925766316 931896981 /nfs/dbraw/zinc/89/69/81/931896981.db2.gz ITJOPSADBCHRJT-SFHVURJKSA-N 2 2 376.298 3.684 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(OC)c1OC ZINC000558413148 931988132 /nfs/dbraw/zinc/98/81/32/931988132.db2.gz DLICWVUXBNMYKU-DEOSSOPVSA-N 2 2 396.531 3.810 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(OC)c1OC ZINC000558413148 931988150 /nfs/dbraw/zinc/98/81/50/931988150.db2.gz DLICWVUXBNMYKU-DEOSSOPVSA-N 2 2 396.531 3.810 20 0 GHADLP COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(OC)c1OC ZINC000558413148 931988154 /nfs/dbraw/zinc/98/81/54/931988154.db2.gz DLICWVUXBNMYKU-DEOSSOPVSA-N 2 2 396.531 3.810 20 0 GHADLP COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(OC)c1OC ZINC000558413148 931988157 /nfs/dbraw/zinc/98/81/57/931988157.db2.gz DLICWVUXBNMYKU-DEOSSOPVSA-N 2 2 396.531 3.810 20 0 GHADLP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1COCc2cccc(Cl)c21 ZINC000926124099 932057062 /nfs/dbraw/zinc/05/70/62/932057062.db2.gz GCYWGYKJHJUHFQ-CTNGQTDRSA-N 2 2 386.923 3.658 20 0 GHADLP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1COCc2cccc(Cl)c21 ZINC000926124099 932057069 /nfs/dbraw/zinc/05/70/69/932057069.db2.gz GCYWGYKJHJUHFQ-CTNGQTDRSA-N 2 2 386.923 3.658 20 0 GHADLP CC[C@H](C[C@](C)(O)CC)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000926527979 932217788 /nfs/dbraw/zinc/21/77/88/932217788.db2.gz MIYSJMMOHAJCPO-DENIHFKCSA-N 2 2 375.557 3.529 20 0 GHADLP c1cn(-c2csc(C[N@H+](Cc3ccc(-n4cncn4)cc3)C3CC3)c2)c[nH+]1 ZINC000559098328 932433985 /nfs/dbraw/zinc/43/39/85/932433985.db2.gz VFNNURBIGPRUAI-UHFFFAOYSA-N 2 2 376.489 3.679 20 0 GHADLP c1cn(-c2csc(C[N@@H+](Cc3ccc(-n4cncn4)cc3)C3CC3)c2)c[nH+]1 ZINC000559098328 932433991 /nfs/dbraw/zinc/43/39/91/932433991.db2.gz VFNNURBIGPRUAI-UHFFFAOYSA-N 2 2 376.489 3.679 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000798276009 932588191 /nfs/dbraw/zinc/58/81/91/932588191.db2.gz YPEVZEADICANNS-JOCHJYFZSA-N 2 2 384.524 3.999 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)[nH+]c2)CC1 ZINC000559817662 932875960 /nfs/dbraw/zinc/87/59/60/932875960.db2.gz KZVKSMBMTKLQKX-OFNKIYASSA-N 3 2 393.579 3.859 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)[nH+]c2)CC1 ZINC000559817662 932875981 /nfs/dbraw/zinc/87/59/81/932875981.db2.gz KZVKSMBMTKLQKX-OFNKIYASSA-N 3 2 393.579 3.859 20 0 GHADLP C[C@H](CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)n1cc[nH+]c1 ZINC000560337321 933209046 /nfs/dbraw/zinc/20/90/46/933209046.db2.gz MLBVFIYTHAMCAV-HXUWFJFHSA-N 2 2 388.515 3.768 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1nc(C)nc1-c1ccccc1 ZINC001116145889 933361409 /nfs/dbraw/zinc/36/14/09/933361409.db2.gz ONYKNLOXESRITP-UHFFFAOYSA-N 2 2 390.535 3.845 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1nc(C)nc1-c1ccccc1 ZINC001116145889 933361417 /nfs/dbraw/zinc/36/14/17/933361417.db2.gz ONYKNLOXESRITP-UHFFFAOYSA-N 2 2 390.535 3.845 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000560608544 933383170 /nfs/dbraw/zinc/38/31/70/933383170.db2.gz KFCNTQNHJXDEPV-GOSISDBHSA-N 2 2 393.531 3.518 20 0 GHADLP O=C1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1c1ccccc1Cl ZINC000560901405 933669286 /nfs/dbraw/zinc/66/92/86/933669286.db2.gz YFGDAILJOHKLOU-LJQANCHMSA-N 2 2 375.944 3.832 20 0 GHADLP Cc1ccc([C@H](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+]2CCCC2)o1 ZINC000561215167 933964752 /nfs/dbraw/zinc/96/47/52/933964752.db2.gz AJPQOQVSWNZSOD-UXHICEINSA-N 2 2 392.503 3.786 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+]C3[C@H](C)CCC[C@H]3C)n2)CC1 ZINC001117990917 934072925 /nfs/dbraw/zinc/07/29/25/934072925.db2.gz FZTNVIZVZXUEDF-HZPDHXFCSA-N 2 2 378.586 3.728 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3c(C)cc(Cl)cc3C)CC2)CC1 ZINC001117990342 934073234 /nfs/dbraw/zinc/07/32/34/934073234.db2.gz XHHXSFGXGGJFBT-UHFFFAOYSA-N 2 2 392.975 3.981 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3c(C)cc(Cl)cc3C)CC2)CC1 ZINC001117990342 934073243 /nfs/dbraw/zinc/07/32/43/934073243.db2.gz XHHXSFGXGGJFBT-UHFFFAOYSA-N 2 2 392.975 3.981 20 0 GHADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000561407019 934132151 /nfs/dbraw/zinc/13/21/51/934132151.db2.gz BTXBLASZHGATRT-QFIPXVFZSA-N 2 2 388.515 3.526 20 0 GHADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000561407019 934132158 /nfs/dbraw/zinc/13/21/58/934132158.db2.gz BTXBLASZHGATRT-QFIPXVFZSA-N 2 2 388.515 3.526 20 0 GHADLP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000562020438 934638381 /nfs/dbraw/zinc/63/83/81/934638381.db2.gz VGSHXWVRMPDDAF-MRXNPFEDSA-N 2 2 389.858 3.503 20 0 GHADLP C[C@@H](c1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)c1)[NH+]1CCOCC1 ZINC000932000419 934796438 /nfs/dbraw/zinc/79/64/38/934796438.db2.gz OUBNYZYSFJBYRL-SFHVURJKSA-N 2 2 397.519 3.911 20 0 GHADLP CC(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001122691246 934950222 /nfs/dbraw/zinc/95/02/22/934950222.db2.gz NDMAFFCSQXZGMD-LJQANCHMSA-N 2 2 388.604 3.546 20 0 GHADLP CC(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001122691246 934950228 /nfs/dbraw/zinc/95/02/28/934950228.db2.gz NDMAFFCSQXZGMD-LJQANCHMSA-N 2 2 388.604 3.546 20 0 GHADLP O=C1O[C@@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CN1C1CCCCC1 ZINC000828461885 935637054 /nfs/dbraw/zinc/63/70/54/935637054.db2.gz HILHEEQNEWSUMC-XLIONFOSSA-N 2 2 386.540 3.552 20 0 GHADLP O=C1O[C@@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CN1C1CCCCC1 ZINC000828461885 935637058 /nfs/dbraw/zinc/63/70/58/935637058.db2.gz HILHEEQNEWSUMC-XLIONFOSSA-N 2 2 386.540 3.552 20 0 GHADLP FC(F)(F)[C@@H]1CC[N@H+](Cc2cncc(C[NH+]3CC[C@H](C(F)(F)F)C3)c2)C1 ZINC000828529457 935653707 /nfs/dbraw/zinc/65/37/07/935653707.db2.gz NBGXMUQLUOEJAQ-GASCZTMLSA-N 2 2 381.364 3.850 20 0 GHADLP FC(F)(F)[C@@H]1CC[N@@H+](Cc2cncc(C[NH+]3CC[C@H](C(F)(F)F)C3)c2)C1 ZINC000828529457 935653710 /nfs/dbraw/zinc/65/37/10/935653710.db2.gz NBGXMUQLUOEJAQ-GASCZTMLSA-N 2 2 381.364 3.850 20 0 GHADLP FC(F)(F)[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](C(F)(F)F)C3)c2)C1 ZINC000828529457 935653713 /nfs/dbraw/zinc/65/37/13/935653713.db2.gz NBGXMUQLUOEJAQ-GASCZTMLSA-N 2 2 381.364 3.850 20 0 GHADLP FC(F)(F)[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](C(F)(F)F)C3)c2)C1 ZINC000828529457 935653718 /nfs/dbraw/zinc/65/37/18/935653718.db2.gz NBGXMUQLUOEJAQ-GASCZTMLSA-N 2 2 381.364 3.850 20 0 GHADLP Cc1nn(C)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001137748451 935768217 /nfs/dbraw/zinc/76/82/17/935768217.db2.gz BALUZQGHMANSCF-FFZOFVMBSA-N 2 2 387.959 3.509 20 0 GHADLP Cc1nn(C)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001137748451 935768219 /nfs/dbraw/zinc/76/82/19/935768219.db2.gz BALUZQGHMANSCF-FFZOFVMBSA-N 2 2 387.959 3.509 20 0 GHADLP Cc1nn(C)c(Cl)c1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001137748451 935768221 /nfs/dbraw/zinc/76/82/21/935768221.db2.gz BALUZQGHMANSCF-FFZOFVMBSA-N 2 2 387.959 3.509 20 0 GHADLP Cc1nn(C)c(Cl)c1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001137748451 935768222 /nfs/dbraw/zinc/76/82/22/935768222.db2.gz BALUZQGHMANSCF-FFZOFVMBSA-N 2 2 387.959 3.509 20 0 GHADLP CCC[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001137819452 935807131 /nfs/dbraw/zinc/80/71/31/935807131.db2.gz UUYWOTJDHIYFQJ-QHCPKHFHSA-N 2 2 388.515 3.999 20 0 GHADLP CCC[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001137819452 935807135 /nfs/dbraw/zinc/80/71/35/935807135.db2.gz UUYWOTJDHIYFQJ-QHCPKHFHSA-N 2 2 388.515 3.999 20 0 GHADLP Fc1c(Cl)cccc1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001137960755 935893355 /nfs/dbraw/zinc/89/33/55/935893355.db2.gz QKACQAQDPBXNAE-UHFFFAOYSA-N 2 2 376.907 3.720 20 0 GHADLP Fc1c(Cl)cccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001137960755 935893359 /nfs/dbraw/zinc/89/33/59/935893359.db2.gz QKACQAQDPBXNAE-UHFFFAOYSA-N 2 2 376.907 3.720 20 0 GHADLP C[C@@H](CC1CCOCC1)[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000468366520 1015632078 /nfs/dbraw/zinc/63/20/78/1015632078.db2.gz GRKFIYVQNKQSBM-SFHVURJKSA-N 2 2 379.976 3.647 20 0 GHADLP COc1cccc(OC)c1Oc1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)cn1 ZINC000545370456 1015817869 /nfs/dbraw/zinc/81/78/69/1015817869.db2.gz XTDIHSFQDACYPJ-UHFFFAOYSA-N 2 2 394.475 3.642 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000469765653 1016618429 /nfs/dbraw/zinc/61/84/29/1016618429.db2.gz UUNXUAPYNYIQDW-HZPDHXFCSA-N 2 2 387.474 3.650 20 0 GHADLP CC1(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000557706376 1017032184 /nfs/dbraw/zinc/03/21/84/1017032184.db2.gz FDLJLBJPRHTXTA-UHFFFAOYSA-N 2 2 389.503 3.567 20 0 GHADLP c1oc(-c2ccccc2)nc1C[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925658601 1017129891 /nfs/dbraw/zinc/12/98/91/1017129891.db2.gz JKWPMVBJYTYSCD-OAQYLSRUSA-N 2 2 380.536 3.570 20 0 GHADLP Fc1cccc(F)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000559326114 1017426520 /nfs/dbraw/zinc/42/65/20/1017426520.db2.gz BOXHRGFHJQTCOS-LJQANCHMSA-N 2 2 386.486 3.983 20 0 GHADLP Fc1cccc(F)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000559326114 1017426526 /nfs/dbraw/zinc/42/65/26/1017426526.db2.gz BOXHRGFHJQTCOS-LJQANCHMSA-N 2 2 386.486 3.983 20 0 GHADLP Cc1ccccc1-c1ccccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000931217706 1017941626 /nfs/dbraw/zinc/94/16/26/1017941626.db2.gz WKDGDGKMAFDKSI-UHFFFAOYSA-N 2 2 391.559 3.950 20 0 GHADLP COc1cc2c(cc1O[C@@H]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]13)C=[NH+]CC2 ZINC001228092927 1032774834 /nfs/dbraw/zinc/77/48/34/1032774834.db2.gz VFHVPAISLIIDDS-CEMLEFRQSA-N 2 2 376.500 3.960 20 0 GHADLP COc1cc2c(cc1O[C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]13)C=[NH+]CC2 ZINC001228092927 1032774853 /nfs/dbraw/zinc/77/48/53/1032774853.db2.gz VFHVPAISLIIDDS-CEMLEFRQSA-N 2 2 376.500 3.960 20 0 GHADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000686215703 1018920351 /nfs/dbraw/zinc/92/03/51/1018920351.db2.gz NDWBGIVIQGXOQG-YLJYHZDGSA-N 2 2 375.557 3.915 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567852116 1019347552 /nfs/dbraw/zinc/34/75/52/1019347552.db2.gz QSYIUQXDVQQSMK-FQEVSTJZSA-N 2 2 396.531 3.999 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567852116 1019347564 /nfs/dbraw/zinc/34/75/64/1019347564.db2.gz QSYIUQXDVQQSMK-FQEVSTJZSA-N 2 2 396.531 3.999 20 0 GHADLP FC(F)(F)Oc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC001204414532 1032842353 /nfs/dbraw/zinc/84/23/53/1032842353.db2.gz PIWLVGBXDWARCF-IAGOWNOFSA-N 2 2 377.410 3.544 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000779007495 1020180353 /nfs/dbraw/zinc/18/03/53/1020180353.db2.gz FLQFLOWVFMQFNW-UYAOXDASSA-N 2 2 384.524 3.714 20 0 GHADLP CNC(=O)C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000639129272 1021065722 /nfs/dbraw/zinc/06/57/22/1021065722.db2.gz QSACXBLTFCSTLH-PUHATCMVSA-N 2 2 377.532 3.822 20 0 GHADLP CNC(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000639129272 1021065725 /nfs/dbraw/zinc/06/57/25/1021065725.db2.gz QSACXBLTFCSTLH-PUHATCMVSA-N 2 2 377.532 3.822 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc(Cl)ccc4Cl)C[C@@H]3C2)cn1 ZINC001204565761 1032975439 /nfs/dbraw/zinc/97/54/39/1032975439.db2.gz VQVYTEJFSYUJAC-WBVHZDCISA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc(Cl)ccc4Cl)C[C@@H]3C2)cn1 ZINC001204565761 1032975442 /nfs/dbraw/zinc/97/54/42/1032975442.db2.gz VQVYTEJFSYUJAC-WBVHZDCISA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc(Cl)ccc4Cl)C[C@@H]3C2)cn1 ZINC001204565761 1032975446 /nfs/dbraw/zinc/97/54/46/1032975446.db2.gz VQVYTEJFSYUJAC-WBVHZDCISA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc(Cl)ccc4Cl)C[C@@H]3C2)cn1 ZINC001204565761 1032975452 /nfs/dbraw/zinc/97/54/52/1032975452.db2.gz VQVYTEJFSYUJAC-WBVHZDCISA-N 2 2 379.335 3.681 20 0 GHADLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902790960 1021541229 /nfs/dbraw/zinc/54/12/29/1021541229.db2.gz SYHLWACMZSYXRA-RDPSFJRHSA-N 3 2 389.547 3.512 20 0 GHADLP CC(C)Cc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC001204601836 1032989621 /nfs/dbraw/zinc/98/96/21/1032989621.db2.gz OWGKSVMRFPDXFP-UHFFFAOYSA-N 3 2 386.628 3.908 20 0 GHADLP CC(C)Cc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC001204601836 1032989623 /nfs/dbraw/zinc/98/96/23/1032989623.db2.gz OWGKSVMRFPDXFP-UHFFFAOYSA-N 3 2 386.628 3.908 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ncccc1C(F)(F)F ZINC000678285747 1021916452 /nfs/dbraw/zinc/91/64/52/1021916452.db2.gz AIFOANBVCASRJR-UHFFFAOYSA-N 3 2 398.517 3.729 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ncccc1C(F)(F)F ZINC000678285747 1021916455 /nfs/dbraw/zinc/91/64/55/1021916455.db2.gz AIFOANBVCASRJR-UHFFFAOYSA-N 3 2 398.517 3.729 20 0 GHADLP Fc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001140538854 1021935573 /nfs/dbraw/zinc/93/55/73/1021935573.db2.gz XDYLCOBUNROYIF-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cc(Cl)cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001140538854 1021935577 /nfs/dbraw/zinc/93/55/77/1021935577.db2.gz XDYLCOBUNROYIF-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cc(Cl)cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001140538854 1021935582 /nfs/dbraw/zinc/93/55/82/1021935582.db2.gz XDYLCOBUNROYIF-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cc(Cl)cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001140538854 1021935586 /nfs/dbraw/zinc/93/55/86/1021935586.db2.gz XDYLCOBUNROYIF-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CC[NH+](C[C@H]5CCCO5)CC4)[C@H]3C2)cc1 ZINC000679721367 1022041956 /nfs/dbraw/zinc/04/19/56/1022041956.db2.gz LMZSKCZXRSAFNJ-VHXCZSFDSA-N 3 2 397.607 3.520 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CC[NH+](C[C@H]5CCCO5)CC4)[C@H]3C2)cc1 ZINC000679721367 1022041982 /nfs/dbraw/zinc/04/19/82/1022041982.db2.gz LMZSKCZXRSAFNJ-VHXCZSFDSA-N 3 2 397.607 3.520 20 0 GHADLP CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000681802311 1022328914 /nfs/dbraw/zinc/32/89/14/1022328914.db2.gz JHWZLBPGETVGIV-GGAORHGYSA-N 2 2 398.595 3.607 20 0 GHADLP CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000681802311 1022328928 /nfs/dbraw/zinc/32/89/28/1022328928.db2.gz JHWZLBPGETVGIV-GGAORHGYSA-N 2 2 398.595 3.607 20 0 GHADLP COc1cc(O)cc(OC)c1C[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001140770234 1022481570 /nfs/dbraw/zinc/48/15/70/1022481570.db2.gz KXDUDCBYAWQCSE-UHFFFAOYSA-N 2 2 393.487 3.588 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)c(Cl)c1 ZINC001140797926 1022561117 /nfs/dbraw/zinc/56/11/17/1022561117.db2.gz AWQQXUUDCBFRLO-DYXWJJEUSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)c(Cl)c1 ZINC001140797926 1022561124 /nfs/dbraw/zinc/56/11/24/1022561124.db2.gz AWQQXUUDCBFRLO-DYXWJJEUSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)c(Cl)c1 ZINC001140797926 1022561136 /nfs/dbraw/zinc/56/11/36/1022561136.db2.gz AWQQXUUDCBFRLO-DYXWJJEUSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)c(Cl)c1 ZINC001140797926 1022561141 /nfs/dbraw/zinc/56/11/41/1022561141.db2.gz AWQQXUUDCBFRLO-DYXWJJEUSA-N 2 2 387.959 3.613 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@H]1C(F)(F)F ZINC001140805300 1022580275 /nfs/dbraw/zinc/58/02/75/1022580275.db2.gz AATYNIGCKFYNSR-HOCLYGCPSA-N 2 2 398.429 3.840 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@H]1C(F)(F)F ZINC001140805300 1022580283 /nfs/dbraw/zinc/58/02/83/1022580283.db2.gz AATYNIGCKFYNSR-HOCLYGCPSA-N 2 2 398.429 3.840 20 0 GHADLP CN(C(=O)Nc1ccc2[nH]ccc2c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245843524 1033071389 /nfs/dbraw/zinc/07/13/89/1033071389.db2.gz KNRDQLAECYLKBZ-FCHUYYIVSA-N 2 2 397.567 3.969 20 0 GHADLP CN(C(=O)Nc1ccc2[nH]ccc2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245843524 1033071402 /nfs/dbraw/zinc/07/14/02/1033071402.db2.gz KNRDQLAECYLKBZ-FCHUYYIVSA-N 2 2 397.567 3.969 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000755987773 1023467655 /nfs/dbraw/zinc/46/76/55/1023467655.db2.gz CUADKZOOYMJXAH-MMOPVJDHSA-N 2 2 399.485 3.713 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000755987773 1023467659 /nfs/dbraw/zinc/46/76/59/1023467659.db2.gz CUADKZOOYMJXAH-MMOPVJDHSA-N 2 2 399.485 3.713 20 0 GHADLP Fc1ccc(-c2cccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)n2)cc1 ZINC001141207400 1024132451 /nfs/dbraw/zinc/13/24/51/1024132451.db2.gz YVWTWPXVZRJCEI-BGYRXZFFSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)n2)cc1 ZINC001141207400 1024132460 /nfs/dbraw/zinc/13/24/60/1024132460.db2.gz YVWTWPXVZRJCEI-BGYRXZFFSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(-c2cccc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccn5)C[C@H]4C3)n2)cc1 ZINC001141207400 1024132478 /nfs/dbraw/zinc/13/24/78/1024132478.db2.gz YVWTWPXVZRJCEI-BGYRXZFFSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(-c2cccc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccn5)C[C@H]4C3)n2)cc1 ZINC001141207400 1024132493 /nfs/dbraw/zinc/13/24/93/1024132493.db2.gz YVWTWPXVZRJCEI-BGYRXZFFSA-N 2 2 388.490 3.847 20 0 GHADLP Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4cccc(-n5cc[nH+]c5)c4)CC[N@@H+]3C2)cc1 ZINC001141241209 1024243331 /nfs/dbraw/zinc/24/33/31/1024243331.db2.gz GALAXUGISGCLPQ-LADGPHEKSA-N 2 2 388.515 3.518 20 0 GHADLP Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4cccc(-n5cc[nH+]c5)c4)CC[N@H+]3C2)cc1 ZINC001141241209 1024243347 /nfs/dbraw/zinc/24/33/47/1024243347.db2.gz GALAXUGISGCLPQ-LADGPHEKSA-N 2 2 388.515 3.518 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1Br ZINC001138297590 1024581548 /nfs/dbraw/zinc/58/15/48/1024581548.db2.gz IPVSLAJWEDVRFA-HNNXBMFYSA-N 2 2 377.282 3.814 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1Br ZINC001138297590 1024581556 /nfs/dbraw/zinc/58/15/56/1024581556.db2.gz IPVSLAJWEDVRFA-HNNXBMFYSA-N 2 2 377.282 3.814 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cccc(C(F)(F)F)c1Cl)CC2 ZINC001205043915 1033224364 /nfs/dbraw/zinc/22/43/64/1033224364.db2.gz GUDSQSMRMUUUJR-UHFFFAOYSA-N 2 2 375.822 3.989 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccncc2NC(=O)C(C)(C)C)CC1 ZINC001138456163 1024880895 /nfs/dbraw/zinc/88/08/95/1024880895.db2.gz RGZCGFIWXPNPEL-UHFFFAOYSA-N 2 2 381.524 3.509 20 0 GHADLP Cc1c(F)cc[nH+]c1N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H]([NH3+])Cc1ccccc1 ZINC001156793718 1033244160 /nfs/dbraw/zinc/24/41/60/1033244160.db2.gz MDMOZEBZOHSKCW-PMVMPFDFSA-N 2 2 393.506 3.873 20 0 GHADLP COc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001138478734 1024908729 /nfs/dbraw/zinc/90/87/29/1024908729.db2.gz PRAGQRCJCBIJON-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1ccc(Cl)cc1C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001138478734 1024908733 /nfs/dbraw/zinc/90/87/33/1024908733.db2.gz PRAGQRCJCBIJON-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1ccc(Cl)cc1C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001138478734 1024908740 /nfs/dbraw/zinc/90/87/40/1024908740.db2.gz PRAGQRCJCBIJON-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1ccc(Cl)cc1C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001138478734 1024908743 /nfs/dbraw/zinc/90/87/43/1024908743.db2.gz PRAGQRCJCBIJON-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4N4CCCCC4)C[C@H]3C2)nc1 ZINC001138606365 1025093392 /nfs/dbraw/zinc/09/33/92/1025093392.db2.gz PYKFMQYXISDQOA-SZPZYZBQSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4N4CCCCC4)C[C@H]3C2)nc1 ZINC001138606365 1025093402 /nfs/dbraw/zinc/09/34/02/1025093402.db2.gz PYKFMQYXISDQOA-SZPZYZBQSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4N4CCCCC4)C[C@H]3C2)nc1 ZINC001138606365 1025093414 /nfs/dbraw/zinc/09/34/14/1025093414.db2.gz PYKFMQYXISDQOA-SZPZYZBQSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4N4CCCCC4)C[C@H]3C2)nc1 ZINC001138606365 1025093427 /nfs/dbraw/zinc/09/34/27/1025093427.db2.gz PYKFMQYXISDQOA-SZPZYZBQSA-N 2 2 376.548 3.636 20 0 GHADLP CCCn1ncc(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)c1C ZINC001138635631 1025142136 /nfs/dbraw/zinc/14/21/36/1025142136.db2.gz TYEHDLAENDLURJ-UHFFFAOYSA-N 2 2 385.556 3.837 20 0 GHADLP CCCn1ncc(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)c1C ZINC001138635631 1025142139 /nfs/dbraw/zinc/14/21/39/1025142139.db2.gz TYEHDLAENDLURJ-UHFFFAOYSA-N 2 2 385.556 3.837 20 0 GHADLP CC1([NH+]2CCCCC2)CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000832224642 1025348970 /nfs/dbraw/zinc/34/89/70/1025348970.db2.gz DVFKIMACZUZRIG-FQEVSTJZSA-N 2 2 380.536 3.799 20 0 GHADLP CC[NH+]1CCC(CC2CC[NH+](Cc3ccc(S(=O)(=O)CC)cc3)CC2)CC1 ZINC001138815460 1025410175 /nfs/dbraw/zinc/41/01/75/1025410175.db2.gz GYDAZHSTOCVSLD-UHFFFAOYSA-N 2 2 392.609 3.814 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2c4cc[nH]c4ncc2Cl)CC3)cn1 ZINC001138948221 1025635946 /nfs/dbraw/zinc/63/59/46/1025635946.db2.gz DURVODTWDQZPNC-UHFFFAOYSA-N 2 2 398.942 3.532 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2c4cc[nH]c4ncc2Cl)CC3)cn1 ZINC001138948221 1025635956 /nfs/dbraw/zinc/63/59/56/1025635956.db2.gz DURVODTWDQZPNC-UHFFFAOYSA-N 2 2 398.942 3.532 20 0 GHADLP COc1c[nH+]c(N[C@H](CC2CC[NH2+]CC2)c2ccccc2F)nc1NC(C)C ZINC001162231671 1025681757 /nfs/dbraw/zinc/68/17/57/1025681757.db2.gz YFNZZHZIZUENKO-GOSISDBHSA-N 2 2 387.503 3.988 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)CC2)cc1 ZINC001141599859 1025811762 /nfs/dbraw/zinc/81/17/62/1025811762.db2.gz DPFLHNDMPFWVAG-HSZRJFAPSA-N 2 2 389.559 3.667 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)CC2)cc1 ZINC001141599859 1025811782 /nfs/dbraw/zinc/81/17/82/1025811782.db2.gz DPFLHNDMPFWVAG-HSZRJFAPSA-N 2 2 389.559 3.667 20 0 GHADLP c1nn(C2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)c2ccccc12 ZINC001139059227 1025849419 /nfs/dbraw/zinc/84/94/19/1025849419.db2.gz QPFGUHUUCCVXHW-UHFFFAOYSA-N 2 2 390.531 3.706 20 0 GHADLP COc1cccc(O[C@@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC001139061916 1025856055 /nfs/dbraw/zinc/85/60/55/1025856055.db2.gz LUDOVBKYLOLRNA-XMMPIXPASA-N 2 2 396.531 3.571 20 0 GHADLP COc1cccc(O[C@@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC001139061916 1025856072 /nfs/dbraw/zinc/85/60/72/1025856072.db2.gz LUDOVBKYLOLRNA-XMMPIXPASA-N 2 2 396.531 3.571 20 0 GHADLP C[C@@H]([NH3+])c1nc2ccccc2n1-c1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC001162764577 1025910504 /nfs/dbraw/zinc/91/05/04/1025910504.db2.gz YWDLGJSXPRYGJJ-OAHLLOKOSA-N 2 2 381.443 3.688 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnn(-c4ccccc4)n3)cc2)C1 ZINC001461045686 1069358076 /nfs/dbraw/zinc/35/80/76/1069358076.db2.gz VWXVKRAJDVFEHI-LJQANCHMSA-N 2 2 375.520 3.789 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnn(-c4ccccc4)n3)cc2)C1 ZINC001461045686 1069358093 /nfs/dbraw/zinc/35/80/93/1069358093.db2.gz VWXVKRAJDVFEHI-LJQANCHMSA-N 2 2 375.520 3.789 20 0 GHADLP c1ccc(C[N@H+]2C[C@H](CNc3ccc(C4CC4)c[nH+]3)C3(C2)CC[NH2+]CC3)cc1 ZINC001162940437 1025976456 /nfs/dbraw/zinc/97/64/56/1025976456.db2.gz DMAACGCHGHZAAR-QFIPXVFZSA-N 3 2 376.548 3.873 20 0 GHADLP c1ccc(C[N@@H+]2C[C@H](CNc3ccc(C4CC4)c[nH+]3)C3(C2)CC[NH2+]CC3)cc1 ZINC001162940437 1025976459 /nfs/dbraw/zinc/97/64/59/1025976459.db2.gz DMAACGCHGHZAAR-QFIPXVFZSA-N 3 2 376.548 3.873 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2cccc4c2ccn4C)CC3)n1 ZINC001139159984 1025981073 /nfs/dbraw/zinc/98/10/73/1025981073.db2.gz CYYYJPFSKJODNB-UHFFFAOYSA-N 2 2 377.536 3.542 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2cccc4c2ccn4C)CC3)n1 ZINC001139159984 1025981080 /nfs/dbraw/zinc/98/10/80/1025981080.db2.gz CYYYJPFSKJODNB-UHFFFAOYSA-N 2 2 377.536 3.542 20 0 GHADLP C[C@@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC001461050250 1069361128 /nfs/dbraw/zinc/36/11/28/1069361128.db2.gz ZXNMRJCLLZLQQN-QLFBSQMISA-N 2 2 381.483 3.685 20 0 GHADLP C[C@@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC001461050250 1069361140 /nfs/dbraw/zinc/36/11/40/1069361140.db2.gz ZXNMRJCLLZLQQN-QLFBSQMISA-N 2 2 381.483 3.685 20 0 GHADLP Cn1ccc2cc(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)ccc21 ZINC001139187274 1026024489 /nfs/dbraw/zinc/02/44/89/1026024489.db2.gz DXNIXLOSHGPSNB-UHFFFAOYSA-N 2 2 379.504 3.638 20 0 GHADLP Cn1ccc2cc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)ccc21 ZINC001139187274 1026024510 /nfs/dbraw/zinc/02/45/10/1026024510.db2.gz DXNIXLOSHGPSNB-UHFFFAOYSA-N 2 2 379.504 3.638 20 0 GHADLP COc1ccc2cc(C[NH+]3CCN(c4cc[nH+]c(C)c4)CC3)c(Cl)nc2c1 ZINC001139310091 1026165183 /nfs/dbraw/zinc/16/51/83/1026165183.db2.gz QVZRBILOEZKKOZ-UHFFFAOYSA-N 2 2 382.895 3.922 20 0 GHADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC001139332686 1026192612 /nfs/dbraw/zinc/19/26/12/1026192612.db2.gz DGSJXQNCTAHSSA-UHFFFAOYSA-N 2 2 375.520 3.754 20 0 GHADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC001139332686 1026192619 /nfs/dbraw/zinc/19/26/19/1026192619.db2.gz DGSJXQNCTAHSSA-UHFFFAOYSA-N 2 2 375.520 3.754 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc(N5CCCCC5)nc4)C[C@@H]3C2)cc1 ZINC001139344961 1026210171 /nfs/dbraw/zinc/21/01/71/1026210171.db2.gz VOTRXJRZRHDJOU-ZRZAMGCNSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(N5CCCCC5)nc4)C[C@@H]3C2)cc1 ZINC001139344961 1026210187 /nfs/dbraw/zinc/21/01/87/1026210187.db2.gz VOTRXJRZRHDJOU-ZRZAMGCNSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(N5CCCCC5)nc4)C[C@@H]3C2)cc1 ZINC001139344961 1026210200 /nfs/dbraw/zinc/21/02/00/1026210200.db2.gz VOTRXJRZRHDJOU-ZRZAMGCNSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc(N5CCCCC5)nc4)C[C@@H]3C2)cc1 ZINC001139344961 1026210216 /nfs/dbraw/zinc/21/02/16/1026210216.db2.gz VOTRXJRZRHDJOU-ZRZAMGCNSA-N 2 2 376.548 3.636 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139363833 1026240450 /nfs/dbraw/zinc/24/04/50/1026240450.db2.gz KSJJFNYVUUSTHH-JOCHJYFZSA-N 2 2 384.524 3.999 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139363833 1026240460 /nfs/dbraw/zinc/24/04/60/1026240460.db2.gz KSJJFNYVUUSTHH-JOCHJYFZSA-N 2 2 384.524 3.999 20 0 GHADLP c1cc(-c2ccc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)cn2)cs1 ZINC001139498809 1026356481 /nfs/dbraw/zinc/35/64/81/1026356481.db2.gz RIULWBOJMDRWMW-SFTDATJTSA-N 2 2 376.529 3.769 20 0 GHADLP CCN1CCC[N@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001139515778 1026373042 /nfs/dbraw/zinc/37/30/42/1026373042.db2.gz YJNBOZMTJDOECZ-UHFFFAOYSA-N 2 2 392.591 3.536 20 0 GHADLP CCN1CCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001139515778 1026373056 /nfs/dbraw/zinc/37/30/56/1026373056.db2.gz YJNBOZMTJDOECZ-UHFFFAOYSA-N 2 2 392.591 3.536 20 0 GHADLP CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)Cn1ccc(-c2ccc(F)cn2)n1 ZINC000840013258 1026406286 /nfs/dbraw/zinc/40/62/86/1026406286.db2.gz FBFNONWCYXFFAZ-HXUWFJFHSA-N 2 2 393.510 3.886 20 0 GHADLP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)Cn1ccc(-c2ccc(F)cn2)n1 ZINC000840013258 1026406295 /nfs/dbraw/zinc/40/62/95/1026406295.db2.gz FBFNONWCYXFFAZ-HXUWFJFHSA-N 2 2 393.510 3.886 20 0 GHADLP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)Cn1ccc(-c2ccc(F)cn2)n1 ZINC000840013258 1026406299 /nfs/dbraw/zinc/40/62/99/1026406299.db2.gz FBFNONWCYXFFAZ-HXUWFJFHSA-N 2 2 393.510 3.886 20 0 GHADLP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1ccc(-c2ccc(F)cn2)n1 ZINC000840013258 1026406301 /nfs/dbraw/zinc/40/63/01/1026406301.db2.gz FBFNONWCYXFFAZ-HXUWFJFHSA-N 2 2 393.510 3.886 20 0 GHADLP C[N@H+](Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)C1CC[NH+](C)CC1 ZINC001139650733 1026512354 /nfs/dbraw/zinc/51/23/54/1026512354.db2.gz UFQULPVQCJEZTR-UHFFFAOYSA-N 2 2 379.570 3.567 20 0 GHADLP C[N@@H+](Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)C1CC[NH+](C)CC1 ZINC001139650733 1026512358 /nfs/dbraw/zinc/51/23/58/1026512358.db2.gz UFQULPVQCJEZTR-UHFFFAOYSA-N 2 2 379.570 3.567 20 0 GHADLP Fc1cccc([C@H]2CC[N@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)c1 ZINC001139762970 1026601181 /nfs/dbraw/zinc/60/11/81/1026601181.db2.gz DCEHGSQDPXQDLP-NRFANRHFSA-N 2 2 384.495 3.526 20 0 GHADLP Fc1cccc([C@H]2CC[N@@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)c1 ZINC001139762970 1026601186 /nfs/dbraw/zinc/60/11/86/1026601186.db2.gz DCEHGSQDPXQDLP-NRFANRHFSA-N 2 2 384.495 3.526 20 0 GHADLP COc1ccc([C@H](C)[N@H+](C)Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001139765103 1026602728 /nfs/dbraw/zinc/60/27/28/1026602728.db2.gz VSBAHDYEMUYQGD-IBGZPJMESA-N 2 2 384.520 3.599 20 0 GHADLP COc1ccc([C@H](C)[N@@H+](C)Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001139765103 1026602732 /nfs/dbraw/zinc/60/27/32/1026602732.db2.gz VSBAHDYEMUYQGD-IBGZPJMESA-N 2 2 384.520 3.599 20 0 GHADLP c1ccc2c(c1)C[N@H+](Cc1cccc(OCC[NH+]3CCOCC3)c1)CCS2 ZINC001139768336 1026604523 /nfs/dbraw/zinc/60/45/23/1026604523.db2.gz IQTNUFJAUQUSDG-UHFFFAOYSA-N 2 2 384.545 3.506 20 0 GHADLP c1ccc2c(c1)C[N@@H+](Cc1cccc(OCC[NH+]3CCOCC3)c1)CCS2 ZINC001139768336 1026604532 /nfs/dbraw/zinc/60/45/32/1026604532.db2.gz IQTNUFJAUQUSDG-UHFFFAOYSA-N 2 2 384.545 3.506 20 0 GHADLP COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001139767577 1026604705 /nfs/dbraw/zinc/60/47/05/1026604705.db2.gz WSKOEAXPGXGHDY-XMMPIXPASA-N 2 2 396.531 3.743 20 0 GHADLP COc1ccc([C@H]2CCC[N@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001139767577 1026604716 /nfs/dbraw/zinc/60/47/16/1026604716.db2.gz WSKOEAXPGXGHDY-XMMPIXPASA-N 2 2 396.531 3.743 20 0 GHADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(OCC(=O)OC)cc2)CC1 ZINC001139775545 1026607227 /nfs/dbraw/zinc/60/72/27/1026607227.db2.gz SIJCNKBPQHCINM-UHFFFAOYSA-N 2 2 396.531 3.725 20 0 GHADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(OCC(=O)OC)cc2)CC1 ZINC001139775545 1026607230 /nfs/dbraw/zinc/60/72/30/1026607230.db2.gz SIJCNKBPQHCINM-UHFFFAOYSA-N 2 2 396.531 3.725 20 0 GHADLP C[C@H]1CCCN(c2cc(N3CCC([N@@H+]4CCc5ccccc5C4)CC3)nc[nH+]2)C1 ZINC001165153309 1026636254 /nfs/dbraw/zinc/63/62/54/1026636254.db2.gz BYKPDWVPXDFDDD-IBGZPJMESA-N 2 2 391.563 3.740 20 0 GHADLP C[C@H]1CCCN(c2cc(N3CCC([N@H+]4CCc5ccccc5C4)CC3)nc[nH+]2)C1 ZINC001165153309 1026636256 /nfs/dbraw/zinc/63/62/56/1026636256.db2.gz BYKPDWVPXDFDDD-IBGZPJMESA-N 2 2 391.563 3.740 20 0 GHADLP COc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)s1 ZINC001139816602 1026638757 /nfs/dbraw/zinc/63/87/57/1026638757.db2.gz GHHUQMUPFXJZSP-JCGIZDLHSA-N 2 2 377.579 3.946 20 0 GHADLP COc1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)s1 ZINC001139816602 1026638769 /nfs/dbraw/zinc/63/87/69/1026638769.db2.gz GHHUQMUPFXJZSP-JCGIZDLHSA-N 2 2 377.579 3.946 20 0 GHADLP COc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)s1 ZINC001139816602 1026638775 /nfs/dbraw/zinc/63/87/75/1026638775.db2.gz GHHUQMUPFXJZSP-JCGIZDLHSA-N 2 2 377.579 3.946 20 0 GHADLP COc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)s1 ZINC001139816602 1026638779 /nfs/dbraw/zinc/63/87/79/1026638779.db2.gz GHHUQMUPFXJZSP-JCGIZDLHSA-N 2 2 377.579 3.946 20 0 GHADLP Cc1cc(C)[nH+]c(N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)c1 ZINC001165319831 1026702437 /nfs/dbraw/zinc/70/24/37/1026702437.db2.gz QDJNODNOVBJZKD-OAHLLOKOSA-N 2 2 387.281 3.687 20 0 GHADLP Fc1ccc(C[NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)c2ccccc12 ZINC001139892866 1026708223 /nfs/dbraw/zinc/70/82/23/1026708223.db2.gz ZCLZYKVGKBWVKK-UHFFFAOYSA-N 2 2 391.494 3.691 20 0 GHADLP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1[nH+]ccc3ccc(C)cc31)C2 ZINC001165406880 1026719883 /nfs/dbraw/zinc/71/98/83/1026719883.db2.gz WFAPTWDTRGBPQQ-GBXCKJPGSA-N 2 2 393.531 3.693 20 0 GHADLP Brc1ncc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)s1 ZINC001139914365 1026727973 /nfs/dbraw/zinc/72/79/73/1026727973.db2.gz VQDRCBCLGKLBTK-UHFFFAOYSA-N 2 2 396.354 3.987 20 0 GHADLP Brc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)s1 ZINC001139914365 1026727977 /nfs/dbraw/zinc/72/79/77/1026727977.db2.gz VQDRCBCLGKLBTK-UHFFFAOYSA-N 2 2 396.354 3.987 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001140027188 1026814738 /nfs/dbraw/zinc/81/47/38/1026814738.db2.gz BOULAYBUIQOWJC-JOCHJYFZSA-N 2 2 384.524 3.917 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001140027188 1026814746 /nfs/dbraw/zinc/81/47/46/1026814746.db2.gz BOULAYBUIQOWJC-JOCHJYFZSA-N 2 2 384.524 3.917 20 0 GHADLP COC(=O)[C@H]1C[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C[C@H]1c1ccccc1 ZINC001140029807 1026818478 /nfs/dbraw/zinc/81/84/78/1026818478.db2.gz TVWUMMLGMBBJQT-SFTDATJTSA-N 2 2 375.472 3.569 20 0 GHADLP COC(=O)[C@H]1C[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C[C@H]1c1ccccc1 ZINC001140029807 1026818482 /nfs/dbraw/zinc/81/84/82/1026818482.db2.gz TVWUMMLGMBBJQT-SFTDATJTSA-N 2 2 375.472 3.569 20 0 GHADLP FC(F)(F)C1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCCC1 ZINC001203290278 1027261912 /nfs/dbraw/zinc/26/19/12/1027261912.db2.gz YKEMOYYWAVURBZ-UHFFFAOYSA-N 2 2 386.458 3.610 20 0 GHADLP CN(Cc1ccccc1)c1ccc(Nc2c[nH+]ccc2N2CCOCC2)c[nH+]1 ZINC001203515789 1027393447 /nfs/dbraw/zinc/39/34/47/1027393447.db2.gz QGAXVBJQAMXAHU-UHFFFAOYSA-N 2 2 375.476 3.693 20 0 GHADLP C[NH+]1CCN(c2ccc(Nc3ccc([NH+]4CCCCC4)cc3)cc2CO)CC1 ZINC001203719580 1027552841 /nfs/dbraw/zinc/55/28/41/1027552841.db2.gz QNWKDDWIGQNLAB-UHFFFAOYSA-N 2 2 380.536 3.665 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(OC(F)F)c(F)c3)[nH+]c2)C1 ZINC001461360348 1069518084 /nfs/dbraw/zinc/51/80/84/1069518084.db2.gz WFFACCJGNASUBX-HNNXBMFYSA-N 2 2 380.414 3.575 20 0 GHADLP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc5c(c4)OCCCO5)CC[C@@H]3C2)cc1 ZINC001142273930 1028545664 /nfs/dbraw/zinc/54/56/64/1028545664.db2.gz JPEMSSBESLADNU-FGZHOGPDSA-N 2 2 378.516 3.802 20 0 GHADLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc5c(c4)OCCCO5)CC[C@@H]3C2)cc1 ZINC001142273930 1028545677 /nfs/dbraw/zinc/54/56/77/1028545677.db2.gz JPEMSSBESLADNU-FGZHOGPDSA-N 2 2 378.516 3.802 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc5c(c4)OCCCO5)CC[C@@H]3C2)cc1 ZINC001142273930 1028545690 /nfs/dbraw/zinc/54/56/90/1028545690.db2.gz JPEMSSBESLADNU-FGZHOGPDSA-N 2 2 378.516 3.802 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc5c(c4)OCCCO5)CC[C@@H]3C2)cc1 ZINC001142273930 1028545707 /nfs/dbraw/zinc/54/57/07/1028545707.db2.gz JPEMSSBESLADNU-FGZHOGPDSA-N 2 2 378.516 3.802 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1C ZINC001142757128 1029382857 /nfs/dbraw/zinc/38/28/57/1029382857.db2.gz GMLNRHYZFIQWAH-HXUWFJFHSA-N 2 2 393.531 3.626 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1C ZINC001142757128 1029382873 /nfs/dbraw/zinc/38/28/73/1029382873.db2.gz GMLNRHYZFIQWAH-HXUWFJFHSA-N 2 2 393.531 3.626 20 0 GHADLP c1c2ccccc2sc1CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001461541905 1069600599 /nfs/dbraw/zinc/60/05/99/1069600599.db2.gz UMIBJEMTHYUDQU-UHFFFAOYSA-N 2 2 396.556 3.945 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143020883 1029787986 /nfs/dbraw/zinc/78/79/86/1029787986.db2.gz FFHPUIZFWIRFFS-JOCHJYFZSA-N 3 2 390.531 3.590 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143020883 1029787992 /nfs/dbraw/zinc/78/79/92/1029787992.db2.gz FFHPUIZFWIRFFS-JOCHJYFZSA-N 3 2 390.531 3.590 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000843361375 1029940494 /nfs/dbraw/zinc/94/04/94/1029940494.db2.gz YMYVZPOWIKNXGG-ZYJGPIPZSA-N 2 2 397.950 3.890 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000843361375 1029940498 /nfs/dbraw/zinc/94/04/98/1029940498.db2.gz YMYVZPOWIKNXGG-ZYJGPIPZSA-N 2 2 397.950 3.890 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398305 1029968911 /nfs/dbraw/zinc/96/89/11/1029968911.db2.gz VTRIBNQNHHNUFS-YLJYHZDGSA-N 2 2 384.524 3.667 20 0 GHADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1c(Cl)cccc1C(F)(F)F ZINC001143287142 1029991362 /nfs/dbraw/zinc/99/13/62/1029991362.db2.gz KPVRLWZARPOHQN-DLBZAZTESA-N 2 2 375.866 3.569 20 0 GHADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c(Cl)cccc1C(F)(F)F ZINC001143287142 1029991366 /nfs/dbraw/zinc/99/13/66/1029991366.db2.gz KPVRLWZARPOHQN-DLBZAZTESA-N 2 2 375.866 3.569 20 0 GHADLP [NH3+]C1CC2(C1)CC[NH+](Cc1cc(Br)c(Br)s1)CC2 ZINC001222215272 1030011686 /nfs/dbraw/zinc/01/16/86/1030011686.db2.gz BBDPJRNPMPZLRF-UHFFFAOYSA-N 2 2 394.176 3.976 20 0 GHADLP COc1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)ccc1C(F)(F)F ZINC001143344798 1030053754 /nfs/dbraw/zinc/05/37/54/1030053754.db2.gz ZQRMQHOIVHFGOB-HDICACEKSA-N 2 2 391.437 3.673 20 0 GHADLP COc1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)ccc1C(F)(F)F ZINC001143344798 1030053772 /nfs/dbraw/zinc/05/37/72/1030053772.db2.gz ZQRMQHOIVHFGOB-HDICACEKSA-N 2 2 391.437 3.673 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)ccc1C(F)(F)F ZINC001143344798 1030053789 /nfs/dbraw/zinc/05/37/89/1030053789.db2.gz ZQRMQHOIVHFGOB-HDICACEKSA-N 2 2 391.437 3.673 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)ccc1C(F)(F)F ZINC001143344798 1030053799 /nfs/dbraw/zinc/05/37/99/1030053799.db2.gz ZQRMQHOIVHFGOB-HDICACEKSA-N 2 2 391.437 3.673 20 0 GHADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222582952 1030211744 /nfs/dbraw/zinc/21/17/44/1030211744.db2.gz ILMZPJUIUOAMLN-NRFANRHFSA-N 3 2 390.531 3.866 20 0 GHADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222582952 1030211760 /nfs/dbraw/zinc/21/17/60/1030211760.db2.gz ILMZPJUIUOAMLN-NRFANRHFSA-N 3 2 390.531 3.866 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1C(F)(F)F ZINC001222610476 1030234950 /nfs/dbraw/zinc/23/49/50/1030234950.db2.gz YWMVBKGYQAQZQN-GOSISDBHSA-N 2 2 376.422 3.903 20 0 GHADLP COc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1C(F)(F)F ZINC001222610476 1030234956 /nfs/dbraw/zinc/23/49/56/1030234956.db2.gz YWMVBKGYQAQZQN-GOSISDBHSA-N 2 2 376.422 3.903 20 0 GHADLP Cc1nc(NCc2cccc(C(=O)NCCC3CC[NH+](C(C)C)CC3)c2)cc[nH+]1 ZINC001149821789 1030315004 /nfs/dbraw/zinc/31/50/04/1030315004.db2.gz WIOCDZGGBQTOMU-UHFFFAOYSA-N 2 2 395.551 3.637 20 0 GHADLP C[N@H+](CC(=O)c1cccc(O[C@@H]2CCC23CC[NH2+]CC3)c1)Cc1ccccc1 ZINC001218083702 1030761697 /nfs/dbraw/zinc/76/16/97/1030761697.db2.gz UWSZYVJJVMESRN-HSZRJFAPSA-N 2 2 378.516 3.912 20 0 GHADLP C[N@@H+](CC(=O)c1cccc(O[C@@H]2CCC23CC[NH2+]CC3)c1)Cc1ccccc1 ZINC001218083702 1030761711 /nfs/dbraw/zinc/76/17/11/1030761711.db2.gz UWSZYVJJVMESRN-HSZRJFAPSA-N 2 2 378.516 3.912 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000131356467 1030899162 /nfs/dbraw/zinc/89/91/62/1030899162.db2.gz PORYGOQJMWRQTA-RBUKOAKNSA-N 2 2 390.531 3.705 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000131356467 1030899183 /nfs/dbraw/zinc/89/91/83/1030899183.db2.gz PORYGOQJMWRQTA-RBUKOAKNSA-N 2 2 390.531 3.705 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)ccc21 ZINC001218616490 1031007334 /nfs/dbraw/zinc/00/73/34/1031007334.db2.gz CXNXEQNJKGWMCT-FQEVSTJZSA-N 2 2 375.476 3.609 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)ccc21 ZINC001218616490 1031007353 /nfs/dbraw/zinc/00/73/53/1031007353.db2.gz CXNXEQNJKGWMCT-FQEVSTJZSA-N 2 2 375.476 3.609 20 0 GHADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001218940261 1031165009 /nfs/dbraw/zinc/16/50/09/1031165009.db2.gz BDOUGJGLDLZGBA-KRWDZBQOSA-N 2 2 390.365 3.729 20 0 GHADLP C[C@H]([NH3+])c1cccc(C(=O)NC2C[NH+](C(c3ccccc3)c3ccccc3)C2)c1 ZINC001219716210 1031575787 /nfs/dbraw/zinc/57/57/87/1031575787.db2.gz FWPKALGMINBZFJ-SFHVURJKSA-N 2 2 385.511 3.910 20 0 GHADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001154161913 1031959438 /nfs/dbraw/zinc/95/94/38/1031959438.db2.gz SSIYYGDUJIBFMI-FPOVZHCZSA-N 2 2 375.532 3.541 20 0 GHADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001154161913 1031959442 /nfs/dbraw/zinc/95/94/42/1031959442.db2.gz SSIYYGDUJIBFMI-FPOVZHCZSA-N 2 2 375.532 3.541 20 0 GHADLP C[C@@H](C(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001220532507 1031979546 /nfs/dbraw/zinc/97/95/46/1031979546.db2.gz HRPARAJOBYTKTE-UHQDVWGKSA-N 2 2 386.367 3.737 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@H](C[NH3+])Cc1ccccc1)c1ccc(Cl)cc1Cl ZINC001220534532 1031980818 /nfs/dbraw/zinc/98/08/18/1031980818.db2.gz ZZYCHCVMEXUMNX-KXBFYZLASA-N 2 2 394.346 3.530 20 0 GHADLP CCOc1cc(N2CCOC(C)(C)C2)ccc1[NH2+]CC1CC[NH+](CC)CC1 ZINC001205430938 1033408872 /nfs/dbraw/zinc/40/88/72/1033408872.db2.gz DDZLJAHVQKDCKB-UHFFFAOYSA-N 2 2 375.557 3.844 20 0 GHADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001205692771 1033533427 /nfs/dbraw/zinc/53/34/27/1033533427.db2.gz KIXVOUIJKVAKQV-SFHVURJKSA-N 2 2 393.572 3.611 20 0 GHADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001205692771 1033533434 /nfs/dbraw/zinc/53/34/34/1033533434.db2.gz KIXVOUIJKVAKQV-SFHVURJKSA-N 2 2 393.572 3.611 20 0 GHADLP C[NH+](C)Cc1nc(CSCCNc2ccc(C[NH+]3CCCC3)cn2)cs1 ZINC001157337708 1033543335 /nfs/dbraw/zinc/54/33/35/1033543335.db2.gz WUUHPFDYJKGZIN-UHFFFAOYSA-N 2 2 391.610 3.541 20 0 GHADLP [NH3+][C@@H](c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1)c1cccc(Cl)c1 ZINC001205811337 1033585077 /nfs/dbraw/zinc/58/50/77/1033585077.db2.gz ADUGEQVMGOPBEO-FWVUHSSSSA-N 2 2 381.867 3.900 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(OCc2ccccc2)cc1OC ZINC001206163744 1033750154 /nfs/dbraw/zinc/75/01/54/1033750154.db2.gz FGFRAFNDLQTNNX-MOPGFXCFSA-N 2 2 388.483 3.544 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(OCc2ccccc2)cc1OC ZINC001206163744 1033750170 /nfs/dbraw/zinc/75/01/70/1033750170.db2.gz FGFRAFNDLQTNNX-MOPGFXCFSA-N 2 2 388.483 3.544 20 0 GHADLP C[NH+]1CCN(C(=[NH2+])Nc2nc(C3CCCCC3)nc3sc4c(c32)CCC4)CC1 ZINC001157916252 1033822676 /nfs/dbraw/zinc/82/26/76/1033822676.db2.gz QEOQGJLDWVUDNS-UHFFFAOYSA-N 2 2 398.580 3.822 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC001206503156 1033877504 /nfs/dbraw/zinc/87/75/04/1033877504.db2.gz QFDJBLQNTUVOHM-JOCHJYFZSA-N 2 2 381.520 3.746 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC001206503156 1033877516 /nfs/dbraw/zinc/87/75/16/1033877516.db2.gz QFDJBLQNTUVOHM-JOCHJYFZSA-N 2 2 381.520 3.746 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(C[NH+]2CCCCC2)cn1 ZINC001206539306 1033898236 /nfs/dbraw/zinc/89/82/36/1033898236.db2.gz KACUDFCEUAEAFB-UHFFFAOYSA-N 2 2 381.520 3.575 20 0 GHADLP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccc(Br)nc2Cl)CC1 ZINC001206749264 1033967555 /nfs/dbraw/zinc/96/75/55/1033967555.db2.gz BFLKICJZLYIANM-UHFFFAOYSA-N 2 2 394.744 3.990 20 0 GHADLP CC1(C)C[C@@H](Nc2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@@](C)(C[NH3+])C1 ZINC001158264972 1033993110 /nfs/dbraw/zinc/99/31/10/1033993110.db2.gz DRCRNYJNWGJOLK-NTKDMRAZSA-N 2 2 393.579 3.991 20 0 GHADLP CC1(C)C[C@@H](Nc2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@@](C)(C[NH3+])C1 ZINC001158264972 1033993119 /nfs/dbraw/zinc/99/31/19/1033993119.db2.gz DRCRNYJNWGJOLK-NTKDMRAZSA-N 2 2 393.579 3.991 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1c(F)cncc1F)CC2 ZINC001206858947 1034038486 /nfs/dbraw/zinc/03/84/86/1034038486.db2.gz WABROPSLDYVVBZ-UHFFFAOYSA-N 2 2 376.451 3.595 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1c(F)cncc1F)CC2 ZINC001206858947 1034038497 /nfs/dbraw/zinc/03/84/97/1034038497.db2.gz WABROPSLDYVVBZ-UHFFFAOYSA-N 2 2 376.451 3.595 20 0 GHADLP C[NH+]1CCC([N@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CCCC2)CC1 ZINC001207247229 1034211964 /nfs/dbraw/zinc/21/19/64/1034211964.db2.gz RNVHLAFZCZKQRP-SFHVURJKSA-N 2 2 379.589 3.972 20 0 GHADLP C[NH+]1CCC([N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CCCC2)CC1 ZINC001207247229 1034211969 /nfs/dbraw/zinc/21/19/69/1034211969.db2.gz RNVHLAFZCZKQRP-SFHVURJKSA-N 2 2 379.589 3.972 20 0 GHADLP C[C@@H]1CN(c2ccc(Nc3ccc(COC4CC[NH2+]CC4)cc3)c[nH+]2)C[C@H](C)O1 ZINC001159167873 1034462920 /nfs/dbraw/zinc/46/29/20/1034462920.db2.gz XHWVNAGEUNPEKZ-HDICACEKSA-N 2 2 396.535 3.707 20 0 GHADLP CCOC(=O)c1c(Nc2ccc(N3CCCCC3)[nH+]c2)sc2c1CC[NH2+]C2 ZINC001159205868 1034482480 /nfs/dbraw/zinc/48/24/80/1034482480.db2.gz WZZWCHUWJLREPR-UHFFFAOYSA-N 2 2 386.521 3.699 20 0 GHADLP CS[C@@H](C)CC[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001208151175 1034757679 /nfs/dbraw/zinc/75/76/79/1034757679.db2.gz KBSHMADWSUQCJU-KRWDZBQOSA-N 2 2 399.645 3.924 20 0 GHADLP CS[C@@H](C)CC[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001208151175 1034757693 /nfs/dbraw/zinc/75/76/93/1034757693.db2.gz KBSHMADWSUQCJU-KRWDZBQOSA-N 2 2 399.645 3.924 20 0 GHADLP Fc1cccc(CC[N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)c1 ZINC001208199236 1034793982 /nfs/dbraw/zinc/79/39/82/1034793982.db2.gz XGXBOJKFPMSTOW-OAQYLSRUSA-N 2 2 389.465 3.997 20 0 GHADLP Fc1cccc(CC[N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)c1 ZINC001208199236 1034793992 /nfs/dbraw/zinc/79/39/92/1034793992.db2.gz XGXBOJKFPMSTOW-OAQYLSRUSA-N 2 2 389.465 3.997 20 0 GHADLP Fc1cccc(CC[NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001208199236 1034793998 /nfs/dbraw/zinc/79/39/98/1034793998.db2.gz XGXBOJKFPMSTOW-OAQYLSRUSA-N 2 2 389.465 3.997 20 0 GHADLP Fc1cccc(CC[NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001208199236 1034794008 /nfs/dbraw/zinc/79/40/08/1034794008.db2.gz XGXBOJKFPMSTOW-OAQYLSRUSA-N 2 2 389.465 3.997 20 0 GHADLP Fc1cc(Nc2ccccc2C[NH+]2CCOCC2)ccc1OC1CC[NH2+]CC1 ZINC001160101440 1034860157 /nfs/dbraw/zinc/86/01/57/1034860157.db2.gz MAVUYTSZKQPECI-UHFFFAOYSA-N 2 2 385.483 3.532 20 0 GHADLP CCCCc1ccc(C[N@@H+]2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC001231781192 1034904657 /nfs/dbraw/zinc/90/46/57/1034904657.db2.gz GORIFPXMMBHIPQ-UHFFFAOYSA-N 2 2 394.563 3.588 20 0 GHADLP CCCCc1ccc(C[N@H+]2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC001231781192 1034904661 /nfs/dbraw/zinc/90/46/61/1034904661.db2.gz GORIFPXMMBHIPQ-UHFFFAOYSA-N 2 2 394.563 3.588 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(OC(C)(C)C)cc3)CC2)C1 ZINC001231808840 1034922895 /nfs/dbraw/zinc/92/28/95/1034922895.db2.gz XFVKMCFVOWYXAM-LJQANCHMSA-N 2 2 388.552 3.713 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(OC(C)(C)C)cc3)CC2)C1 ZINC001231808840 1034922897 /nfs/dbraw/zinc/92/28/97/1034922897.db2.gz XFVKMCFVOWYXAM-LJQANCHMSA-N 2 2 388.552 3.713 20 0 GHADLP CCCOc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231862424 1034951143 /nfs/dbraw/zinc/95/11/43/1034951143.db2.gz AICDZCQXKOSRRV-PMOQBDJRSA-N 2 2 394.563 3.998 20 0 GHADLP CCCOc1ncccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231862424 1034951149 /nfs/dbraw/zinc/95/11/49/1034951149.db2.gz AICDZCQXKOSRRV-PMOQBDJRSA-N 2 2 394.563 3.998 20 0 GHADLP CCCOc1ncccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231862424 1034951154 /nfs/dbraw/zinc/95/11/54/1034951154.db2.gz AICDZCQXKOSRRV-PMOQBDJRSA-N 2 2 394.563 3.998 20 0 GHADLP CCCOc1ncccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231862424 1034951159 /nfs/dbraw/zinc/95/11/59/1034951159.db2.gz AICDZCQXKOSRRV-PMOQBDJRSA-N 2 2 394.563 3.998 20 0 GHADLP O=C(NCCNc1cccc[nH+]1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001160478601 1034986555 /nfs/dbraw/zinc/98/65/55/1034986555.db2.gz LTCWXDLMNVGPMV-FCHUYYIVSA-N 2 2 392.547 3.548 20 0 GHADLP O=C(NCCNc1cccc[nH+]1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001160478601 1034986561 /nfs/dbraw/zinc/98/65/61/1034986561.db2.gz LTCWXDLMNVGPMV-FCHUYYIVSA-N 2 2 392.547 3.548 20 0 GHADLP CC[N@@H+](Cc1ccc(Br)nc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC001461935425 1069901078 /nfs/dbraw/zinc/90/10/78/1069901078.db2.gz NERHEANRPZPHLY-UHFFFAOYSA-N 2 2 389.341 3.978 20 0 GHADLP CC[N@H+](Cc1ccc(Br)nc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC001461935425 1069901080 /nfs/dbraw/zinc/90/10/80/1069901080.db2.gz NERHEANRPZPHLY-UHFFFAOYSA-N 2 2 389.341 3.978 20 0 GHADLP c1cn(Cc2noc3c2C[N@H+](CCCCCOCc2ccccc2)CC3)c[nH+]1 ZINC001208810671 1035032639 /nfs/dbraw/zinc/03/26/39/1035032639.db2.gz CAUQBCXBXWCQPJ-UHFFFAOYSA-N 2 2 380.492 3.665 20 0 GHADLP c1cn(Cc2noc3c2C[N@@H+](CCCCCOCc2ccccc2)CC3)c[nH+]1 ZINC001208810671 1035032646 /nfs/dbraw/zinc/03/26/46/1035032646.db2.gz CAUQBCXBXWCQPJ-UHFFFAOYSA-N 2 2 380.492 3.665 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001232003232 1035035996 /nfs/dbraw/zinc/03/59/96/1035035996.db2.gz VTXSTFLVUNEMRK-RTBURBONSA-N 2 2 375.438 3.973 20 0 GHADLP C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)N2C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160935142 1035098419 /nfs/dbraw/zinc/09/84/19/1035098419.db2.gz KUSOTYYMABZCAK-OYRHQHFDSA-N 2 2 383.495 3.662 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208937071 1035104309 /nfs/dbraw/zinc/10/43/09/1035104309.db2.gz QYVIYIXZOAFCJL-HXUWFJFHSA-N 2 2 378.516 3.744 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208937071 1035104319 /nfs/dbraw/zinc/10/43/19/1035104319.db2.gz QYVIYIXZOAFCJL-HXUWFJFHSA-N 2 2 378.516 3.744 20 0 GHADLP COC(=O)c1ccc2c(c1)C[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208937071 1035104325 /nfs/dbraw/zinc/10/43/25/1035104325.db2.gz QYVIYIXZOAFCJL-HXUWFJFHSA-N 2 2 378.516 3.744 20 0 GHADLP COC(=O)c1ccc2c(c1)C[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208937071 1035104331 /nfs/dbraw/zinc/10/43/31/1035104331.db2.gz QYVIYIXZOAFCJL-HXUWFJFHSA-N 2 2 378.516 3.744 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208937309 1035105099 /nfs/dbraw/zinc/10/50/99/1035105099.db2.gz RRUYATICJZVZTA-BHIFYINESA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208937309 1035105104 /nfs/dbraw/zinc/10/51/04/1035105104.db2.gz RRUYATICJZVZTA-BHIFYINESA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[NH+]2C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208937309 1035105107 /nfs/dbraw/zinc/10/51/07/1035105107.db2.gz RRUYATICJZVZTA-BHIFYINESA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[NH+]2C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208937309 1035105111 /nfs/dbraw/zinc/10/51/11/1035105111.db2.gz RRUYATICJZVZTA-BHIFYINESA-N 2 2 399.579 3.982 20 0 GHADLP COC(=O)CCCCCCCCC[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001209096135 1035171557 /nfs/dbraw/zinc/17/15/57/1035171557.db2.gz YDWYIOFUDJUROJ-NHCUHLMSSA-N 2 2 387.568 3.739 20 0 GHADLP Fc1ccc(CC[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c(Cl)c1 ZINC001209109502 1035177493 /nfs/dbraw/zinc/17/74/93/1035177493.db2.gz FASSUGABHBTTHH-UHFFFAOYSA-N 2 2 392.902 3.982 20 0 GHADLP Fc1ccc(CC[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c(Cl)c1 ZINC001209109502 1035177500 /nfs/dbraw/zinc/17/75/00/1035177500.db2.gz FASSUGABHBTTHH-UHFFFAOYSA-N 2 2 392.902 3.982 20 0 GHADLP FC1(F)CC[N@H+](CCOc2ccccc2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001209297735 1035234605 /nfs/dbraw/zinc/23/46/05/1035234605.db2.gz HQFZTNDDCRNKSC-OAQYLSRUSA-N 2 2 387.474 3.694 20 0 GHADLP FC1(F)CC[N@@H+](CCOc2ccccc2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001209297735 1035234608 /nfs/dbraw/zinc/23/46/08/1035234608.db2.gz HQFZTNDDCRNKSC-OAQYLSRUSA-N 2 2 387.474 3.694 20 0 GHADLP FC1(F)CC[NH+](CCOc2ccccc2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001209297735 1035234613 /nfs/dbraw/zinc/23/46/13/1035234613.db2.gz HQFZTNDDCRNKSC-OAQYLSRUSA-N 2 2 387.474 3.694 20 0 GHADLP FC1(F)CC[NH+](CCOc2ccccc2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001209297735 1035234614 /nfs/dbraw/zinc/23/46/14/1035234614.db2.gz HQFZTNDDCRNKSC-OAQYLSRUSA-N 2 2 387.474 3.694 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(OCC[NH+]4CCCCC4)cc3)c2)C1 ZINC001241760271 1035683018 /nfs/dbraw/zinc/68/30/18/1035683018.db2.gz ALMDSJHVILWTSY-HSZRJFAPSA-N 3 2 379.548 3.751 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(OCC[NH+]4CCCCC4)cc3)c2)C1 ZINC001241760271 1035683026 /nfs/dbraw/zinc/68/30/26/1035683026.db2.gz ALMDSJHVILWTSY-HSZRJFAPSA-N 3 2 379.548 3.751 20 0 GHADLP CC(C)C(=O)N1CC[NH+](C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001462019260 1069949402 /nfs/dbraw/zinc/94/94/02/1069949402.db2.gz SAJGOVKUXNHZMT-XMMPIXPASA-N 2 2 385.596 3.725 20 0 GHADLP CC(C)C(=O)N1CC[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001462019260 1069949403 /nfs/dbraw/zinc/94/94/03/1069949403.db2.gz SAJGOVKUXNHZMT-XMMPIXPASA-N 2 2 385.596 3.725 20 0 GHADLP CC(C)(C)OC(=O)N1CCc2ccc(C[NH+]3CCC([NH+]4CCC4)CC3)cc2C1 ZINC001248785011 1036146906 /nfs/dbraw/zinc/14/69/06/1036146906.db2.gz JRVLXYVTRFPJRJ-UHFFFAOYSA-N 2 2 385.552 3.650 20 0 GHADLP Cc1cc(C[NH+]2CCC([N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)cs1 ZINC001248804670 1036175415 /nfs/dbraw/zinc/17/54/15/1036175415.db2.gz PWRBKDXQGRZFGB-QGZVFWFLSA-N 2 2 379.570 3.620 20 0 GHADLP Cc1cc(C[NH+]2CCC([N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)cs1 ZINC001248804670 1036175426 /nfs/dbraw/zinc/17/54/26/1036175426.db2.gz PWRBKDXQGRZFGB-QGZVFWFLSA-N 2 2 379.570 3.620 20 0 GHADLP COC(=O)c1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1C(F)(F)F ZINC001244599701 1036561694 /nfs/dbraw/zinc/56/16/94/1036561694.db2.gz XIQWZFFHSQVZSM-OAHLLOKOSA-N 2 2 378.394 3.692 20 0 GHADLP COC(=O)c1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1C(F)(F)F ZINC001244599701 1036561702 /nfs/dbraw/zinc/56/17/02/1036561702.db2.gz XIQWZFFHSQVZSM-OAHLLOKOSA-N 2 2 378.394 3.692 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)c1c(Cl)cccc1Cl ZINC001245991103 1037113109 /nfs/dbraw/zinc/11/31/09/1037113109.db2.gz BNMBUZJKRXPDIR-PZDALLCQSA-N 2 2 389.273 3.853 20 0 GHADLP CC(C)c1ccc(OC[C@H](O)C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1 ZINC001246063356 1037175571 /nfs/dbraw/zinc/17/55/71/1037175571.db2.gz IUINVFAXSXBPDC-JOCHJYFZSA-N 2 2 394.559 3.687 20 0 GHADLP CC(C)(C)OC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246206193 1037238639 /nfs/dbraw/zinc/23/86/39/1037238639.db2.gz DRZKNQSUJCRMNX-YOEHRIQHSA-N 2 2 387.351 3.890 20 0 GHADLP COC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246350663 1037309647 /nfs/dbraw/zinc/30/96/47/1037309647.db2.gz KLINVOHQNBUOTG-SFHVURJKSA-N 2 2 399.362 3.980 20 0 GHADLP Clc1ccc(CC2([NH2+][C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246391635 1037351587 /nfs/dbraw/zinc/35/15/87/1037351587.db2.gz OCEAFVJXRPIURT-PKTZIBPZSA-N 3 2 397.994 3.958 20 0 GHADLP CC(C)[C@@H]1C[C@H]([NH2+]C2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246426384 1037385113 /nfs/dbraw/zinc/38/51/13/1037385113.db2.gz AEHXXGQZYHOQPR-MOPGFXCFSA-N 3 2 383.502 3.736 20 0 GHADLP CC(C)[C@@H]1C[C@H]([NH2+]C2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246436874 1037398962 /nfs/dbraw/zinc/39/89/62/1037398962.db2.gz MNWDHKNCOFRPRS-MOPGFXCFSA-N 3 2 383.502 3.736 20 0 GHADLP COC(=O)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)cc1 ZINC001246525217 1037456665 /nfs/dbraw/zinc/45/66/65/1037456665.db2.gz MQNFMRBFEYVMIV-LPHOPBHVSA-N 2 2 393.314 3.927 20 0 GHADLP C(=C/c1ccccc1)\CN1CC[NH+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246535852 1037470421 /nfs/dbraw/zinc/47/04/21/1037470421.db2.gz MPMAAUTXWSLQKF-CMWRNQAPSA-N 2 2 375.560 3.681 20 0 GHADLP CCOC(=O)N1CCC(C)(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC001462198968 1070076088 /nfs/dbraw/zinc/07/60/88/1070076088.db2.gz MGXCUPHRJJWAAJ-UHFFFAOYSA-N 2 2 376.545 3.634 20 0 GHADLP C[C@H]1CC[C@H](N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C[NH2+]1 ZINC001246793418 1037633689 /nfs/dbraw/zinc/63/36/89/1037633689.db2.gz YTOZKZYRLXSCSC-JTSKRJEESA-N 2 2 385.502 3.812 20 0 GHADLP Clc1ccc(CN2CC[NH+]([C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246836417 1037665708 /nfs/dbraw/zinc/66/57/08/1037665708.db2.gz WOADGIOBLITSII-XZOQPEGZSA-N 2 2 383.967 3.821 20 0 GHADLP Clc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246836417 1037665720 /nfs/dbraw/zinc/66/57/20/1037665720.db2.gz WOADGIOBLITSII-XZOQPEGZSA-N 2 2 383.967 3.821 20 0 GHADLP CCOC(=O)C1(CC)CC[NH+]([C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)CC1 ZINC001246909623 1037717868 /nfs/dbraw/zinc/71/78/68/1037717868.db2.gz FYBPMNLNBDPARF-AZUAARDMSA-N 2 2 376.516 3.983 20 0 GHADLP CN(C(=O)NCC1(CC2CC2)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001246908825 1037717995 /nfs/dbraw/zinc/71/79/95/1037717995.db2.gz LJYBEBAUDLTOTD-SFTDATJTSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)NCC1(CC2CC2)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001246908825 1037718018 /nfs/dbraw/zinc/71/80/18/1037718018.db2.gz LJYBEBAUDLTOTD-SFTDATJTSA-N 2 2 390.616 3.545 20 0 GHADLP Fc1cc(F)c(C[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C2CC[NH2+]CC2)c(F)c1 ZINC001246960094 1037778603 /nfs/dbraw/zinc/77/86/03/1037778603.db2.gz ZKXZDKBBZXSUTC-QGZVFWFLSA-N 3 2 381.486 3.580 20 0 GHADLP Fc1cc(F)c(C[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C2CC[NH2+]CC2)c(F)c1 ZINC001246960094 1037778624 /nfs/dbraw/zinc/77/86/24/1037778624.db2.gz ZKXZDKBBZXSUTC-QGZVFWFLSA-N 3 2 381.486 3.580 20 0 GHADLP CC(=O)Nc1nc(C[N@@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)cs1 ZINC001232288586 1038022067 /nfs/dbraw/zinc/02/20/67/1038022067.db2.gz ZJCZYUCDDCRQJM-UHFFFAOYSA-N 2 2 398.576 3.980 20 0 GHADLP CC(=O)Nc1nc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)cs1 ZINC001232288586 1038022085 /nfs/dbraw/zinc/02/20/85/1038022085.db2.gz ZJCZYUCDDCRQJM-UHFFFAOYSA-N 2 2 398.576 3.980 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(C)n1 ZINC001232334233 1038115693 /nfs/dbraw/zinc/11/56/93/1038115693.db2.gz WMUMOXAMBKJPHA-NNWRFLSQSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(C)n1 ZINC001232334233 1038115701 /nfs/dbraw/zinc/11/57/01/1038115701.db2.gz WMUMOXAMBKJPHA-NNWRFLSQSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(C)n1 ZINC001232334233 1038115712 /nfs/dbraw/zinc/11/57/12/1038115712.db2.gz WMUMOXAMBKJPHA-NNWRFLSQSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(C)n1 ZINC001232334233 1038115728 /nfs/dbraw/zinc/11/57/28/1038115728.db2.gz WMUMOXAMBKJPHA-NNWRFLSQSA-N 2 2 380.536 3.526 20 0 GHADLP CCOc1ccnc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001232581817 1038352011 /nfs/dbraw/zinc/35/20/11/1038352011.db2.gz TVFOVDCUPAORKN-UHFFFAOYSA-N 2 2 395.547 3.656 20 0 GHADLP CCOc1ccnc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001232581817 1038352026 /nfs/dbraw/zinc/35/20/26/1038352026.db2.gz TVFOVDCUPAORKN-UHFFFAOYSA-N 2 2 395.547 3.656 20 0 GHADLP c1cn(-c2ccccc2-c2noc([C@H]3OC4(CC[NH2+]CC4)c4ccccc43)n2)c[nH+]1 ZINC001247856763 1038427280 /nfs/dbraw/zinc/42/72/80/1038427280.db2.gz DYDMPOIJCSWKLG-FQEVSTJZSA-N 2 2 399.454 3.621 20 0 GHADLP COc1ncc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c2ccccc21 ZINC001232949771 1038726786 /nfs/dbraw/zinc/72/67/86/1038726786.db2.gz ZUCNLPJTONURKH-QZTJIDSGSA-N 2 2 379.529 3.869 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(O)cc(Br)c2)CC1 ZINC001232995559 1038756010 /nfs/dbraw/zinc/75/60/10/1038756010.db2.gz CHBUAPVUTFUXMR-UHFFFAOYSA-N 2 2 376.298 3.597 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](C[C@H](O)c1ccc(F)cc1)C2 ZINC001252842871 1039202764 /nfs/dbraw/zinc/20/27/64/1039202764.db2.gz GIMMZYMGSLNTOH-QHCPKHFHSA-N 2 2 395.478 3.537 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](C[C@H](O)c1ccc(F)cc1)C2 ZINC001252842871 1039202773 /nfs/dbraw/zinc/20/27/73/1039202773.db2.gz GIMMZYMGSLNTOH-QHCPKHFHSA-N 2 2 395.478 3.537 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](C[C@H](O)c1ccc(F)cc1)C2 ZINC001252842871 1039202786 /nfs/dbraw/zinc/20/27/86/1039202786.db2.gz GIMMZYMGSLNTOH-QHCPKHFHSA-N 2 2 395.478 3.537 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](C[C@H](O)c1ccc(F)cc1)C2 ZINC001252842871 1039202798 /nfs/dbraw/zinc/20/27/98/1039202798.db2.gz GIMMZYMGSLNTOH-QHCPKHFHSA-N 2 2 395.478 3.537 20 0 GHADLP O[C@@]1(C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC[NH+](Cc2ccccc2)C1 ZINC001252932167 1039268731 /nfs/dbraw/zinc/26/87/31/1039268731.db2.gz QAGMQLKHCXQVRQ-OAQYLSRUSA-N 2 2 390.449 3.701 20 0 GHADLP O[C@@]1(C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC[NH+](Cc2ccccc2)C1 ZINC001252932167 1039268733 /nfs/dbraw/zinc/26/87/33/1039268733.db2.gz QAGMQLKHCXQVRQ-OAQYLSRUSA-N 2 2 390.449 3.701 20 0 GHADLP O[C@@]1(C[NH+]2CCc3cc(C(F)(F)F)ccc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC001252932167 1039268738 /nfs/dbraw/zinc/26/87/38/1039268738.db2.gz QAGMQLKHCXQVRQ-OAQYLSRUSA-N 2 2 390.449 3.701 20 0 GHADLP O[C@@]1(C[NH+]2CCc3cc(C(F)(F)F)ccc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252932167 1039268742 /nfs/dbraw/zinc/26/87/42/1039268742.db2.gz QAGMQLKHCXQVRQ-OAQYLSRUSA-N 2 2 390.449 3.701 20 0 GHADLP Cc1ccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)cc1Br ZINC001278702920 1039471088 /nfs/dbraw/zinc/47/10/88/1039471088.db2.gz VNCRNFZQEPFFJK-UHFFFAOYSA-N 2 2 394.401 3.607 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c(n3)OCCO4)C[C@@H]21 ZINC001233858788 1039668145 /nfs/dbraw/zinc/66/81/45/1039668145.db2.gz JQNDRTJNMRARGY-FFZOFVMBSA-N 2 2 399.560 3.647 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c(n3)OCCO4)C[C@@H]21 ZINC001233858788 1039668148 /nfs/dbraw/zinc/66/81/48/1039668148.db2.gz JQNDRTJNMRARGY-FFZOFVMBSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4c(n3)OCCO4)C[C@@H]21 ZINC001233858788 1039668155 /nfs/dbraw/zinc/66/81/55/1039668155.db2.gz JQNDRTJNMRARGY-FFZOFVMBSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4c(n3)OCCO4)C[C@@H]21 ZINC001233858788 1039668163 /nfs/dbraw/zinc/66/81/63/1039668163.db2.gz JQNDRTJNMRARGY-FFZOFVMBSA-N 2 2 399.560 3.647 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001254313186 1040166860 /nfs/dbraw/zinc/16/68/60/1040166860.db2.gz GRCYKHGDSFYHDN-ROUUACIJSA-N 2 2 375.513 3.633 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001254313186 1040166865 /nfs/dbraw/zinc/16/68/65/1040166865.db2.gz GRCYKHGDSFYHDN-ROUUACIJSA-N 2 2 375.513 3.633 20 0 GHADLP CCC[C@H](CCc1ccccc1)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001254492385 1040277596 /nfs/dbraw/zinc/27/75/96/1040277596.db2.gz GRLRDHYUVOXKPW-TZRRMPRUSA-N 2 2 380.580 3.975 20 0 GHADLP CCC[C@H](CCc1ccccc1)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001254492385 1040277609 /nfs/dbraw/zinc/27/76/09/1040277609.db2.gz GRLRDHYUVOXKPW-TZRRMPRUSA-N 2 2 380.580 3.975 20 0 GHADLP CCC[C@H](CCc1ccccc1)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001254492385 1040277625 /nfs/dbraw/zinc/27/76/25/1040277625.db2.gz GRLRDHYUVOXKPW-TZRRMPRUSA-N 2 2 380.580 3.975 20 0 GHADLP CCC[C@H](CCc1ccccc1)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001254492385 1040277639 /nfs/dbraw/zinc/27/76/39/1040277639.db2.gz GRLRDHYUVOXKPW-TZRRMPRUSA-N 2 2 380.580 3.975 20 0 GHADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001254735971 1040494779 /nfs/dbraw/zinc/49/47/79/1040494779.db2.gz KJDYMKQVBNXCHG-LJQANCHMSA-N 2 2 379.589 3.878 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1c[nH]c3cccc(F)c13)CC2 ZINC001235017426 1040504442 /nfs/dbraw/zinc/50/44/42/1040504442.db2.gz DYCRDGUXIHPDDS-UHFFFAOYSA-N 2 2 379.479 3.953 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1c[nH]c3cccc(F)c13)CC2 ZINC001235017426 1040504456 /nfs/dbraw/zinc/50/44/56/1040504456.db2.gz DYCRDGUXIHPDDS-UHFFFAOYSA-N 2 2 379.479 3.953 20 0 GHADLP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235021401 1040514053 /nfs/dbraw/zinc/51/40/53/1040514053.db2.gz HIHRIWAIGFGVEE-QFIPXVFZSA-N 2 2 385.939 3.912 20 0 GHADLP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235021401 1040514074 /nfs/dbraw/zinc/51/40/74/1040514074.db2.gz HIHRIWAIGFGVEE-QFIPXVFZSA-N 2 2 385.939 3.912 20 0 GHADLP CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)o3)CC2)cc1 ZINC001462470171 1070278914 /nfs/dbraw/zinc/27/89/14/1070278914.db2.gz NXXXYDOGQNBJFP-UHFFFAOYSA-N 2 2 395.547 3.786 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 ZINC001254753303 1040514664 /nfs/dbraw/zinc/51/46/64/1040514664.db2.gz JFLFTCFTSGCYHC-QRVBRYPASA-N 2 2 377.573 3.582 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 ZINC001254753303 1040514679 /nfs/dbraw/zinc/51/46/79/1040514679.db2.gz JFLFTCFTSGCYHC-QRVBRYPASA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 ZINC001254753303 1040514699 /nfs/dbraw/zinc/51/46/99/1040514699.db2.gz JFLFTCFTSGCYHC-QRVBRYPASA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 ZINC001254753303 1040514711 /nfs/dbraw/zinc/51/47/11/1040514711.db2.gz JFLFTCFTSGCYHC-QRVBRYPASA-N 2 2 377.573 3.582 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1ccc(F)c3cc[nH]c31)CC2 ZINC001235025338 1040518046 /nfs/dbraw/zinc/51/80/46/1040518046.db2.gz ZTCIUPQVLMGLGB-UHFFFAOYSA-N 2 2 379.479 3.953 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1ccc(F)c3cc[nH]c31)CC2 ZINC001235025338 1040518064 /nfs/dbraw/zinc/51/80/64/1040518064.db2.gz ZTCIUPQVLMGLGB-UHFFFAOYSA-N 2 2 379.479 3.953 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CCC[C@]1(C)O ZINC001235026915 1040519110 /nfs/dbraw/zinc/51/91/10/1040519110.db2.gz JJTHOTTXLLKXRJ-KDOFPFPSSA-N 2 2 378.314 3.618 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CCC[C@]1(C)O ZINC001235026915 1040519131 /nfs/dbraw/zinc/51/91/31/1040519131.db2.gz JJTHOTTXLLKXRJ-KDOFPFPSSA-N 2 2 378.314 3.618 20 0 GHADLP Brc1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)ccc1-n1cc[nH+]c1 ZINC001235031378 1040522336 /nfs/dbraw/zinc/52/23/36/1040522336.db2.gz RBWPWFKXEUTUEM-QGZVFWFLSA-N 2 2 389.341 3.695 20 0 GHADLP Brc1cc(C[N@@H+]2CCCCC23CC[NH2+]CC3)ccc1-n1cccn1 ZINC001235192164 1040682428 /nfs/dbraw/zinc/68/24/28/1040682428.db2.gz XZGBIGHOHHEXKQ-UHFFFAOYSA-N 2 2 389.341 3.743 20 0 GHADLP Brc1cc(C[N@H+]2CCCCC23CC[NH2+]CC3)ccc1-n1cccn1 ZINC001235192164 1040682434 /nfs/dbraw/zinc/68/24/34/1040682434.db2.gz XZGBIGHOHHEXKQ-UHFFFAOYSA-N 2 2 389.341 3.743 20 0 GHADLP Cc1cc(F)cc(C[NH+]2CCC(N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001255108694 1040789456 /nfs/dbraw/zinc/78/94/56/1040789456.db2.gz WDDIMUKTKMSSDH-XMMPIXPASA-N 2 2 381.539 3.963 20 0 GHADLP Cc1cc(F)cc(C[NH+]2CCC(N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001255108694 1040789466 /nfs/dbraw/zinc/78/94/66/1040789466.db2.gz WDDIMUKTKMSSDH-XMMPIXPASA-N 2 2 381.539 3.963 20 0 GHADLP [NH3+]C1(Cc2ccccn2)CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255131050 1040825220 /nfs/dbraw/zinc/82/52/20/1040825220.db2.gz MAJQOSHQMUGRHF-UBRQYEGLSA-N 3 2 390.575 3.613 20 0 GHADLP [NH3+]C1(Cc2ccccn2)CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255131050 1040825232 /nfs/dbraw/zinc/82/52/32/1040825232.db2.gz MAJQOSHQMUGRHF-UBRQYEGLSA-N 3 2 390.575 3.613 20 0 GHADLP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255133140 1040832175 /nfs/dbraw/zinc/83/21/75/1040832175.db2.gz ZNJPCXYWWSAEJV-KOUNCHBCSA-N 2 2 386.628 3.657 20 0 GHADLP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255133140 1040832184 /nfs/dbraw/zinc/83/21/84/1040832184.db2.gz ZNJPCXYWWSAEJV-KOUNCHBCSA-N 4 2 386.628 3.657 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2cc(OCC4CC4)ncn2)C3)cc1 ZINC001255134114 1040833195 /nfs/dbraw/zinc/83/31/95/1040833195.db2.gz XQHOWZLTECFVAE-MMVMTREESA-N 2 2 378.520 3.551 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2cc(OCC4CC4)ncn2)C3)cc1 ZINC001255134114 1040833209 /nfs/dbraw/zinc/83/32/09/1040833209.db2.gz XQHOWZLTECFVAE-MMVMTREESA-N 2 2 378.520 3.551 20 0 GHADLP c1nc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1Cc1ccccn1 ZINC001255134143 1040833913 /nfs/dbraw/zinc/83/39/13/1040833913.db2.gz XVVXDFCQJJFAKB-ULPXVVAUSA-N 2 2 387.531 3.612 20 0 GHADLP c1nc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1Cc1ccccn1 ZINC001255134143 1040833934 /nfs/dbraw/zinc/83/39/34/1040833934.db2.gz XVVXDFCQJJFAKB-ULPXVVAUSA-N 2 2 387.531 3.612 20 0 GHADLP COC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235358864 1040844236 /nfs/dbraw/zinc/84/42/36/1040844236.db2.gz ZLTJEGBMISFMLT-IFMALSPDSA-N 2 2 384.907 3.706 20 0 GHADLP COC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235358864 1040844267 /nfs/dbraw/zinc/84/42/67/1040844267.db2.gz ZLTJEGBMISFMLT-IFMALSPDSA-N 2 2 384.907 3.706 20 0 GHADLP COc1cc(F)c(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1OC ZINC001235374726 1040882078 /nfs/dbraw/zinc/88/20/78/1040882078.db2.gz YHXOBPJEFPIJOF-CVDCTZTESA-N 2 2 384.495 3.596 20 0 GHADLP COc1cc(F)c(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1OC ZINC001235374726 1040882093 /nfs/dbraw/zinc/88/20/93/1040882093.db2.gz YHXOBPJEFPIJOF-CVDCTZTESA-N 2 2 384.495 3.596 20 0 GHADLP COc1ccc(-c2cc(C[N@@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)no2)cc1 ZINC001235379677 1040900134 /nfs/dbraw/zinc/90/01/34/1040900134.db2.gz GUQHNXQJBYIUJT-VWNXMTODSA-N 2 2 389.499 3.929 20 0 GHADLP COc1ccc(-c2cc(C[N@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)no2)cc1 ZINC001235379677 1040900138 /nfs/dbraw/zinc/90/01/38/1040900138.db2.gz GUQHNXQJBYIUJT-VWNXMTODSA-N 2 2 389.499 3.929 20 0 GHADLP COc1ncc(C2CC2)cc1C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235382051 1040902649 /nfs/dbraw/zinc/90/26/49/1040902649.db2.gz MHPWLNXFDYTDEA-LADGPHEKSA-N 2 2 377.532 3.721 20 0 GHADLP COc1ncc(C2CC2)cc1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235382051 1040902659 /nfs/dbraw/zinc/90/26/59/1040902659.db2.gz MHPWLNXFDYTDEA-LADGPHEKSA-N 2 2 377.532 3.721 20 0 GHADLP FC1(F)CN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC[C@@H]1[NH+]1CCCC1 ZINC001255408842 1040996294 /nfs/dbraw/zinc/99/62/94/1040996294.db2.gz CRWGXYJSQKKYDG-RTWAWAEBSA-N 2 2 377.523 3.847 20 0 GHADLP FC1(F)CN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@@H]1[NH+]1CCCC1 ZINC001255408842 1040996299 /nfs/dbraw/zinc/99/62/99/1040996299.db2.gz CRWGXYJSQKKYDG-RTWAWAEBSA-N 2 2 377.523 3.847 20 0 GHADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3n[nH]c4cc(N)ccc43)C[C@@H]21 ZINC001235661312 1041113204 /nfs/dbraw/zinc/11/32/04/1041113204.db2.gz SIBCTEFBSKBUIS-JTAQYXEDSA-N 2 2 375.520 3.756 20 0 GHADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3n[nH]c4cc(N)ccc43)C[C@@H]21 ZINC001235661312 1041113218 /nfs/dbraw/zinc/11/32/18/1041113218.db2.gz SIBCTEFBSKBUIS-JTAQYXEDSA-N 2 2 375.520 3.756 20 0 GHADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3n[nH]c4cc(N)ccc43)C[C@@H]21 ZINC001235661312 1041113223 /nfs/dbraw/zinc/11/32/23/1041113223.db2.gz SIBCTEFBSKBUIS-JTAQYXEDSA-N 2 2 375.520 3.756 20 0 GHADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3n[nH]c4cc(N)ccc43)C[C@@H]21 ZINC001235661312 1041113230 /nfs/dbraw/zinc/11/32/30/1041113230.db2.gz SIBCTEFBSKBUIS-JTAQYXEDSA-N 2 2 375.520 3.756 20 0 GHADLP COc1cccc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c1N ZINC001235672815 1041132019 /nfs/dbraw/zinc/13/20/19/1041132019.db2.gz HGLRFHRTHBCCBM-UHFFFAOYSA-N 2 2 382.895 3.801 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC001235689662 1041160316 /nfs/dbraw/zinc/16/03/16/1041160316.db2.gz ABJVLJBLMPYQNL-HIFRSBDPSA-N 2 2 392.321 3.602 20 0 GHADLP Cc1cc(Br)ccc1N1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255681988 1041214023 /nfs/dbraw/zinc/21/40/23/1041214023.db2.gz GZZZJXTWKUNIMN-DFNIBXOVSA-N 2 2 392.385 3.895 20 0 GHADLP Cc1cc(Br)ccc1N1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255681988 1041214040 /nfs/dbraw/zinc/21/40/40/1041214040.db2.gz GZZZJXTWKUNIMN-DFNIBXOVSA-N 2 2 392.385 3.895 20 0 GHADLP FC(F)(F)[C@@H]1CCC[C@H](N(c2cccc[nH+]2)[C@H]2COC3(C2)CC[NH2+]CC3)C1 ZINC001255717465 1041246077 /nfs/dbraw/zinc/24/60/77/1041246077.db2.gz SLIMZOKTUXMVNL-IXDOHACOSA-N 2 2 383.458 3.920 20 0 GHADLP CC[N@H+](Cc1cc(OC)c(OC)cc1OCc1ccccc1)C1CC[NH2+]CC1 ZINC001235759875 1041250154 /nfs/dbraw/zinc/25/01/54/1041250154.db2.gz DCYZAVRHMQHBCL-UHFFFAOYSA-N 2 2 384.520 3.857 20 0 GHADLP CC[N@@H+](Cc1cc(OC)c(OC)cc1OCc1ccccc1)C1CC[NH2+]CC1 ZINC001235759875 1041250171 /nfs/dbraw/zinc/25/01/71/1041250171.db2.gz DCYZAVRHMQHBCL-UHFFFAOYSA-N 2 2 384.520 3.857 20 0 GHADLP CC1([NH+]2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)CC[NH2+]CC1 ZINC001235816597 1041332288 /nfs/dbraw/zinc/33/22/88/1041332288.db2.gz VFNMVAUHAVPUOE-UHFFFAOYSA-N 2 2 379.548 3.525 20 0 GHADLP [NH3+]C1CC2(C1)C[NH+](Cc1ccc(OCc3ccccc3)c(Br)c1)C2 ZINC001235819828 1041335757 /nfs/dbraw/zinc/33/57/57/1041335757.db2.gz JEFXMJWKNUPFTI-UHFFFAOYSA-N 2 2 387.321 3.951 20 0 GHADLP COCC[N@H+](Cc1cc(C(F)(F)F)ccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001235945042 1041452079 /nfs/dbraw/zinc/45/20/79/1041452079.db2.gz RBVPFYNDRMEYSK-UHFFFAOYSA-N 2 2 384.364 3.925 20 0 GHADLP COCC[N@@H+](Cc1cc(C(F)(F)F)ccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001235945042 1041452097 /nfs/dbraw/zinc/45/20/97/1041452097.db2.gz RBVPFYNDRMEYSK-UHFFFAOYSA-N 2 2 384.364 3.925 20 0 GHADLP C[N@@H+](Cc1cc(Br)cc(Br)c1F)C[C@@H]1CCC[NH2+]C1 ZINC001235957233 1041464721 /nfs/dbraw/zinc/46/47/21/1041464721.db2.gz LHGXYEPSPVHMSG-SNVBAGLBSA-N 2 2 394.126 3.782 20 0 GHADLP C[N@H+](Cc1cc(Br)cc(Br)c1F)C[C@@H]1CCC[NH2+]C1 ZINC001235957233 1041464730 /nfs/dbraw/zinc/46/47/30/1041464730.db2.gz LHGXYEPSPVHMSG-SNVBAGLBSA-N 2 2 394.126 3.782 20 0 GHADLP CCC[N@H+](Cc1nc2c(s1)C[NH2+]CC2)Cc1cccc(Br)c1 ZINC001235962815 1041469650 /nfs/dbraw/zinc/46/96/50/1041469650.db2.gz NEYXNENYBZMUMC-UHFFFAOYSA-N 2 2 380.355 3.964 20 0 GHADLP CCC[N@@H+](Cc1nc2c(s1)C[NH2+]CC2)Cc1cccc(Br)c1 ZINC001235962815 1041469665 /nfs/dbraw/zinc/46/96/65/1041469665.db2.gz NEYXNENYBZMUMC-UHFFFAOYSA-N 2 2 380.355 3.964 20 0 GHADLP FC(F)(F)c1ccccc1Cn1cncc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256071807 1041506757 /nfs/dbraw/zinc/50/67/57/1041506757.db2.gz AADVSDOFRKTSGX-UHFFFAOYSA-N 2 2 378.442 3.667 20 0 GHADLP [NH3+]CC1C[NH+]([C@H]2CCCN(Cc3ccc(OCc4ccccc4)c(Cl)c3)C2)C1 ZINC001236079668 1041524608 /nfs/dbraw/zinc/52/46/08/1041524608.db2.gz PKUNVIXTMZSAPO-NRFANRHFSA-N 2 2 399.966 3.774 20 0 GHADLP C[C@H]([C@H](Oc1ccccc1)c1ccccc1)[N@H+](C)Cc1cn2c(n1)C[NH2+]CC2 ZINC001236162201 1041586832 /nfs/dbraw/zinc/58/68/32/1041586832.db2.gz ZHJJIJYWLVBORO-JPYJTQIMSA-N 2 2 376.504 3.627 20 0 GHADLP C[C@H]([C@H](Oc1ccccc1)c1ccccc1)[N@@H+](C)Cc1cn2c(n1)C[NH2+]CC2 ZINC001236162201 1041586844 /nfs/dbraw/zinc/58/68/44/1041586844.db2.gz ZHJJIJYWLVBORO-JPYJTQIMSA-N 2 2 376.504 3.627 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@H](N(Cc2ccccc2)C2CC2)C1 ZINC001236210367 1041621562 /nfs/dbraw/zinc/62/15/62/1041621562.db2.gz UHFZGGQFPHDTNZ-QMMLZNLJSA-N 2 2 377.523 3.606 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@H](N(Cc2ccccc2)C2CC2)C1 ZINC001236210367 1041621571 /nfs/dbraw/zinc/62/15/71/1041621571.db2.gz UHFZGGQFPHDTNZ-QMMLZNLJSA-N 2 2 377.523 3.606 20 0 GHADLP C[N@H+](Cc1cc(Br)cc(Br)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236211900 1041622952 /nfs/dbraw/zinc/62/29/52/1041622952.db2.gz JSZBGFKSNVCUSZ-KBPBESRZSA-N 2 2 376.136 3.913 20 0 GHADLP C[N@@H+](Cc1cc(Br)cc(Br)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236211900 1041622959 /nfs/dbraw/zinc/62/29/59/1041622959.db2.gz JSZBGFKSNVCUSZ-KBPBESRZSA-N 2 2 376.136 3.913 20 0 GHADLP C[N@H+](Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219507 1041627556 /nfs/dbraw/zinc/62/75/56/1041627556.db2.gz WZDLUSSAYGXHBR-RBBKRZOGSA-N 2 2 397.544 3.580 20 0 GHADLP C[N@@H+](Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219507 1041627560 /nfs/dbraw/zinc/62/75/60/1041627560.db2.gz WZDLUSSAYGXHBR-RBBKRZOGSA-N 2 2 397.544 3.580 20 0 GHADLP Clc1ccccc1C[N@H+](Cc1cccc(N2CCOCC2)c1)C1CC[NH2+]CC1 ZINC001236453187 1041718334 /nfs/dbraw/zinc/71/83/34/1041718334.db2.gz SXNHNPXQVYIFRR-UHFFFAOYSA-N 2 2 399.966 3.931 20 0 GHADLP Clc1ccccc1C[N@@H+](Cc1cccc(N2CCOCC2)c1)C1CC[NH2+]CC1 ZINC001236453187 1041718339 /nfs/dbraw/zinc/71/83/39/1041718339.db2.gz SXNHNPXQVYIFRR-UHFFFAOYSA-N 2 2 399.966 3.931 20 0 GHADLP CCOCC[N@H+](Cc1ccc(Cl)cc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC001236461674 1041723498 /nfs/dbraw/zinc/72/34/98/1041723498.db2.gz OKOFJRRTBYIGEV-UHFFFAOYSA-N 2 2 380.838 3.829 20 0 GHADLP CCOCC[N@@H+](Cc1ccc(Cl)cc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC001236461674 1041723505 /nfs/dbraw/zinc/72/35/05/1041723505.db2.gz OKOFJRRTBYIGEV-UHFFFAOYSA-N 2 2 380.838 3.829 20 0 GHADLP Cc1ccc2[nH+]cc(CN(Cc3c(F)cc(F)cc3F)C3CC[NH2+]CC3)n2c1 ZINC001236494794 1041739025 /nfs/dbraw/zinc/73/90/25/1041739025.db2.gz LORKXHUXKPGHSM-UHFFFAOYSA-N 2 2 388.437 3.814 20 0 GHADLP CC[NH+](CC)Cc1cc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)ccc1F ZINC001236561903 1041763286 /nfs/dbraw/zinc/76/32/86/1041763286.db2.gz SMVHEGYVMIPYTR-UHFFFAOYSA-N 2 2 383.511 3.722 20 0 GHADLP CCOC(=O)c1cccc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001236649844 1041802313 /nfs/dbraw/zinc/80/23/13/1041802313.db2.gz NJLBBNQGXWMPBX-TWRVUUBYSA-N 2 2 395.547 3.653 20 0 GHADLP CCOC(=O)c1cccc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001236649844 1041802318 /nfs/dbraw/zinc/80/23/18/1041802318.db2.gz NJLBBNQGXWMPBX-TWRVUUBYSA-N 2 2 395.547 3.653 20 0 GHADLP CCOC(=O)c1cccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001236649844 1041802323 /nfs/dbraw/zinc/80/23/23/1041802323.db2.gz NJLBBNQGXWMPBX-TWRVUUBYSA-N 2 2 395.547 3.653 20 0 GHADLP CCOC(=O)c1cccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001236649844 1041802329 /nfs/dbraw/zinc/80/23/29/1041802329.db2.gz NJLBBNQGXWMPBX-TWRVUUBYSA-N 2 2 395.547 3.653 20 0 GHADLP O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)N1c1ccsc1 ZINC001236905029 1041949529 /nfs/dbraw/zinc/94/95/29/1041949529.db2.gz XYJCLZTXWUNRAG-RBUKOAKNSA-N 2 2 398.919 3.967 20 0 GHADLP O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)N1c1ccsc1 ZINC001236905029 1041949532 /nfs/dbraw/zinc/94/95/32/1041949532.db2.gz XYJCLZTXWUNRAG-RBUKOAKNSA-N 2 2 398.919 3.967 20 0 GHADLP COc1cc(O[C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)ccn1 ZINC001236907187 1041951190 /nfs/dbraw/zinc/95/11/90/1041951190.db2.gz ADFSXXNMORNBTN-KRWDZBQOSA-N 2 2 384.867 3.583 20 0 GHADLP COc1cc(O[C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)ccn1 ZINC001236907187 1041951196 /nfs/dbraw/zinc/95/11/96/1041951196.db2.gz ADFSXXNMORNBTN-KRWDZBQOSA-N 2 2 384.867 3.583 20 0 GHADLP O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2Cl)N1c1ccsc1 ZINC001236918746 1041958050 /nfs/dbraw/zinc/95/80/50/1041958050.db2.gz RMCLQGKEAIPRFU-RBUKOAKNSA-N 2 2 398.919 3.967 20 0 GHADLP O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2Cl)N1c1ccsc1 ZINC001236918746 1041958052 /nfs/dbraw/zinc/95/80/52/1041958052.db2.gz RMCLQGKEAIPRFU-RBUKOAKNSA-N 2 2 398.919 3.967 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@H+]3CCc4[nH+]ccn4CC3)cn2)cc1 ZINC001236982873 1041977799 /nfs/dbraw/zinc/97/77/99/1041977799.db2.gz WFRMQVJRKMFROS-UHFFFAOYSA-N 2 2 388.393 3.902 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@@H+]3CCc4[nH+]ccn4CC3)cn2)cc1 ZINC001236982873 1041977800 /nfs/dbraw/zinc/97/78/00/1041977800.db2.gz WFRMQVJRKMFROS-UHFFFAOYSA-N 2 2 388.393 3.902 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3cc(O)cc4ccccc43)CC2)CC1 ZINC001237064675 1042017206 /nfs/dbraw/zinc/01/72/06/1042017206.db2.gz BIMSWQRPWWCOBI-UHFFFAOYSA-N 2 2 396.531 3.785 20 0 GHADLP Fc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1N1CCCC1 ZINC001237097177 1042033705 /nfs/dbraw/zinc/03/37/05/1042033705.db2.gz XPHYGFNHPVLFJO-FGZHOGPDSA-N 2 2 379.523 3.990 20 0 GHADLP FC(F)(F)[C@]12CCC[C@H]1C[N@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)C2 ZINC001462587853 1070393404 /nfs/dbraw/zinc/39/34/04/1070393404.db2.gz OIOFTZXVXICOTL-ICSRJNTNSA-N 2 2 398.469 3.562 20 0 GHADLP FC(F)(F)[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)C2 ZINC001462587853 1070393418 /nfs/dbraw/zinc/39/34/18/1070393418.db2.gz OIOFTZXVXICOTL-ICSRJNTNSA-N 2 2 398.469 3.562 20 0 GHADLP Oc1ccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1OCC1CC1 ZINC001237289647 1042126477 /nfs/dbraw/zinc/12/64/77/1042126477.db2.gz RKECCQBGRFASMU-UHFFFAOYSA-N 2 2 378.516 3.818 20 0 GHADLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cnc(-c4ccccc4)o3)C2)C1 ZINC001237364387 1042172651 /nfs/dbraw/zinc/17/26/51/1042172651.db2.gz HSSNXAYSPWBRCM-NFBKMPQASA-N 2 2 381.520 3.522 20 0 GHADLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cnc(-c4ccccc4)o3)C2)C1 ZINC001237364387 1042172653 /nfs/dbraw/zinc/17/26/53/1042172653.db2.gz HSSNXAYSPWBRCM-NFBKMPQASA-N 2 2 381.520 3.522 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cnc(-c4ccccc4)o3)C2)C1 ZINC001237364387 1042172654 /nfs/dbraw/zinc/17/26/54/1042172654.db2.gz HSSNXAYSPWBRCM-NFBKMPQASA-N 2 2 381.520 3.522 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cnc(-c4ccccc4)o3)C2)C1 ZINC001237364387 1042172655 /nfs/dbraw/zinc/17/26/55/1042172655.db2.gz HSSNXAYSPWBRCM-NFBKMPQASA-N 2 2 381.520 3.522 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc(OCc2ccccc2)c1OC ZINC001237413626 1042197762 /nfs/dbraw/zinc/19/77/62/1042197762.db2.gz IZLLPMAQEKKHGH-RTWAWAEBSA-N 2 2 396.531 3.857 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc(OCc2ccccc2)c1OC ZINC001237413626 1042197763 /nfs/dbraw/zinc/19/77/63/1042197763.db2.gz IZLLPMAQEKKHGH-RTWAWAEBSA-N 2 2 396.531 3.857 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2c(Cl)[nH]c4cnccc42)CC3)cn1 ZINC001237453989 1042214045 /nfs/dbraw/zinc/21/40/45/1042214045.db2.gz LVZWGHWYTIXBKM-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2c(Cl)[nH]c4cnccc42)CC3)cn1 ZINC001237453989 1042214049 /nfs/dbraw/zinc/21/40/49/1042214049.db2.gz LVZWGHWYTIXBKM-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(OC)c(OCc4ccccc4)c(OC)c3)C[C@H]2C1 ZINC001238115348 1042496348 /nfs/dbraw/zinc/49/63/48/1042496348.db2.gz YBLSTQABAAJOJW-NHCUHLMSSA-N 2 2 396.531 3.666 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(-c3cccs3)n1)C2 ZINC001238207714 1042519792 /nfs/dbraw/zinc/51/97/92/1042519792.db2.gz FSDUQHRTPFPGTP-CVDCTZTESA-N 2 2 397.588 3.990 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(-c3cccs3)n1)C2 ZINC001238207714 1042519797 /nfs/dbraw/zinc/51/97/97/1042519797.db2.gz FSDUQHRTPFPGTP-CVDCTZTESA-N 2 2 397.588 3.990 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(-c3cccs3)n1)C2 ZINC001238207714 1042519801 /nfs/dbraw/zinc/51/98/01/1042519801.db2.gz FSDUQHRTPFPGTP-CVDCTZTESA-N 2 2 397.588 3.990 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(-c3cccs3)n1)C2 ZINC001238207714 1042519805 /nfs/dbraw/zinc/51/98/05/1042519805.db2.gz FSDUQHRTPFPGTP-CVDCTZTESA-N 2 2 397.588 3.990 20 0 GHADLP Cc1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(F)cc1Cl ZINC001238300434 1042547347 /nfs/dbraw/zinc/54/73/47/1042547347.db2.gz KZVJDIWCZQJPOB-UHFFFAOYSA-N 2 2 376.907 3.638 20 0 GHADLP CC(C)Oc1cc(F)ccc1C[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001238693210 1042688208 /nfs/dbraw/zinc/68/82/08/1042688208.db2.gz PMKJIKMKVYRDHS-UHFFFAOYSA-N 2 2 399.510 3.879 20 0 GHADLP COc1ccc(-c2ccc(C[NH+]3CCOCC3)nc2)cc1C[NH+]1CCCCC1 ZINC001239599082 1042838669 /nfs/dbraw/zinc/83/86/69/1042838669.db2.gz ZIQVIQFVRJXQTJ-UHFFFAOYSA-N 2 2 381.520 3.575 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)[nH+]c1 ZINC001256491758 1043428894 /nfs/dbraw/zinc/42/88/94/1043428894.db2.gz XUXBXCBDEJBFGT-HKUYNNGSSA-N 2 2 388.556 3.736 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCCC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256534576 1043468798 /nfs/dbraw/zinc/46/87/98/1043468798.db2.gz SGMMUPWXEGLLMP-SIKLNZKXSA-N 2 2 392.547 3.741 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCCC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC001256534576 1043468817 /nfs/dbraw/zinc/46/88/17/1043468817.db2.gz SGMMUPWXEGLLMP-SIKLNZKXSA-N 2 2 392.547 3.741 20 0 GHADLP COc1cccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001256535429 1043477596 /nfs/dbraw/zinc/47/75/96/1043477596.db2.gz ZIMYBQXAHQCLFE-HUVFLSCGSA-N 2 2 393.575 3.912 20 0 GHADLP COc1cccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001256535429 1043477614 /nfs/dbraw/zinc/47/76/14/1043477614.db2.gz ZIMYBQXAHQCLFE-HUVFLSCGSA-N 2 2 393.575 3.912 20 0 GHADLP COc1cccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001256535429 1043477628 /nfs/dbraw/zinc/47/76/28/1043477628.db2.gz ZIMYBQXAHQCLFE-HUVFLSCGSA-N 2 2 393.575 3.912 20 0 GHADLP COc1cccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001256535429 1043477641 /nfs/dbraw/zinc/47/76/41/1043477641.db2.gz ZIMYBQXAHQCLFE-HUVFLSCGSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccccc1N1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256538302 1043484022 /nfs/dbraw/zinc/48/40/22/1043484022.db2.gz RSFHFUGPFXYSDJ-IRLDBZIGSA-N 2 2 379.548 3.870 20 0 GHADLP COc1ccccc1N1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256538302 1043484034 /nfs/dbraw/zinc/48/40/34/1043484034.db2.gz RSFHFUGPFXYSDJ-IRLDBZIGSA-N 2 2 379.548 3.870 20 0 GHADLP CC(C)(C)OC(=O)C1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCCCC1 ZINC001256586459 1043555825 /nfs/dbraw/zinc/55/58/25/1043555825.db2.gz GEWYMADZXBOGPF-UHFFFAOYSA-N 2 2 387.568 3.928 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CC[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256606168 1043570584 /nfs/dbraw/zinc/57/05/84/1043570584.db2.gz QMERAASSESMPDT-UHFFFAOYSA-N 2 2 385.552 3.594 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CC[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256606168 1043570597 /nfs/dbraw/zinc/57/05/97/1043570597.db2.gz QMERAASSESMPDT-UHFFFAOYSA-N 2 2 385.552 3.594 20 0 GHADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001292071399 1043582077 /nfs/dbraw/zinc/58/20/77/1043582077.db2.gz JZCLDBIVBMESRU-GHTZIAJQSA-N 2 2 389.559 3.807 20 0 GHADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001292071399 1043582086 /nfs/dbraw/zinc/58/20/86/1043582086.db2.gz JZCLDBIVBMESRU-GHTZIAJQSA-N 2 2 389.559 3.807 20 0 GHADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001292071399 1043582099 /nfs/dbraw/zinc/58/20/99/1043582099.db2.gz JZCLDBIVBMESRU-GHTZIAJQSA-N 2 2 389.559 3.807 20 0 GHADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)C1 ZINC001292071399 1043582107 /nfs/dbraw/zinc/58/21/07/1043582107.db2.gz JZCLDBIVBMESRU-GHTZIAJQSA-N 2 2 389.559 3.807 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256803420 1043661018 /nfs/dbraw/zinc/66/10/18/1043661018.db2.gz IYKISAMEQKHAJH-UEQSERJNSA-N 2 2 380.532 3.786 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256803420 1043661027 /nfs/dbraw/zinc/66/10/27/1043661027.db2.gz IYKISAMEQKHAJH-UEQSERJNSA-N 2 2 380.532 3.786 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+]([C@@H]4CCO[C@H](c5ccccc5)C4)CC3)C2)co1 ZINC001256811825 1043667932 /nfs/dbraw/zinc/66/79/32/1043667932.db2.gz PFTGORHBAWBZTL-PKTZIBPZSA-N 2 2 396.531 3.867 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+]([C@@H]4CCO[C@H](c5ccccc5)C4)CC3)C2)co1 ZINC001256811825 1043667941 /nfs/dbraw/zinc/66/79/41/1043667941.db2.gz PFTGORHBAWBZTL-PKTZIBPZSA-N 2 2 396.531 3.867 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2([NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)CCC[C@H]12 ZINC001256895449 1043728104 /nfs/dbraw/zinc/72/81/04/1043728104.db2.gz ULEJVAFPQKIRFX-ZWCUEREDSA-N 2 2 377.573 3.915 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2([NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)CCC[C@H]12 ZINC001256895449 1043728116 /nfs/dbraw/zinc/72/81/16/1043728116.db2.gz ULEJVAFPQKIRFX-ZWCUEREDSA-N 2 2 377.573 3.915 20 0 GHADLP CC(C)[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001257188796 1043927574 /nfs/dbraw/zinc/92/75/74/1043927574.db2.gz QXMNUYHMNMJSED-HSALFYBXSA-N 2 2 379.589 3.875 20 0 GHADLP CC(C)[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001257188796 1043927578 /nfs/dbraw/zinc/92/75/78/1043927578.db2.gz QXMNUYHMNMJSED-HSALFYBXSA-N 2 2 379.589 3.875 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](C1CCC3(COC3)CC1)C2 ZINC001257908102 1044256533 /nfs/dbraw/zinc/25/65/33/1044256533.db2.gz XBDDSKOLLJCZMK-UHFFFAOYSA-N 2 2 381.520 3.624 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](C1CCC3(COC3)CC1)C2 ZINC001257908102 1044256543 /nfs/dbraw/zinc/25/65/43/1044256543.db2.gz XBDDSKOLLJCZMK-UHFFFAOYSA-N 2 2 381.520 3.624 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](C1CCC3(COC3)CC1)C2 ZINC001257908102 1044256558 /nfs/dbraw/zinc/25/65/58/1044256558.db2.gz XBDDSKOLLJCZMK-UHFFFAOYSA-N 2 2 381.520 3.624 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](C1CCC3(COC3)CC1)C2 ZINC001257908102 1044256573 /nfs/dbraw/zinc/25/65/73/1044256573.db2.gz XBDDSKOLLJCZMK-UHFFFAOYSA-N 2 2 381.520 3.624 20 0 GHADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257974622 1044298881 /nfs/dbraw/zinc/29/88/81/1044298881.db2.gz YDJZASVUNQUDOU-PCCBWWKXSA-N 2 2 387.568 3.681 20 0 GHADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257974622 1044298894 /nfs/dbraw/zinc/29/88/94/1044298894.db2.gz YDJZASVUNQUDOU-PCCBWWKXSA-N 2 2 387.568 3.681 20 0 GHADLP Cc1ccnc(OC2CC[NH+](C3CC[NH+](CCc4ccccc4)CC3)CC2)c1 ZINC001258149548 1044439647 /nfs/dbraw/zinc/43/96/47/1044439647.db2.gz LZDRTAVERAQATR-UHFFFAOYSA-N 2 2 379.548 3.940 20 0 GHADLP COc1cccc(C[NH+]2CCC([NH2+]C3CCN(c4ccccc4)CC3)CC2)c1 ZINC001258506607 1044584865 /nfs/dbraw/zinc/58/48/65/1044584865.db2.gz BJQZISFIIMZTNQ-UHFFFAOYSA-N 2 2 379.548 3.918 20 0 GHADLP C[C@@H](Cc1cccnc1)[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001258628001 1044676623 /nfs/dbraw/zinc/67/66/23/1044676623.db2.gz VOHKRDSUNBVIBD-RXVVDRJESA-N 2 2 386.490 3.641 20 0 GHADLP C[C@@H](Cc1cccnc1)[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001258628001 1044676629 /nfs/dbraw/zinc/67/66/29/1044676629.db2.gz VOHKRDSUNBVIBD-RXVVDRJESA-N 2 2 386.490 3.641 20 0 GHADLP C[C@@H](Cc1cccnc1)[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001258628001 1044676638 /nfs/dbraw/zinc/67/66/38/1044676638.db2.gz VOHKRDSUNBVIBD-RXVVDRJESA-N 2 2 386.490 3.641 20 0 GHADLP C[C@@H](Cc1cccnc1)[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001258628001 1044676645 /nfs/dbraw/zinc/67/66/45/1044676645.db2.gz VOHKRDSUNBVIBD-RXVVDRJESA-N 2 2 386.490 3.641 20 0 GHADLP COc1cc(C[C@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc(OC)c1OC ZINC001258877483 1044826496 /nfs/dbraw/zinc/82/64/96/1044826496.db2.gz WLHUNNMXNUJSDI-FUHWJXTLSA-N 2 2 386.492 3.500 20 0 GHADLP COc1cc(C[C@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc(OC)c1OC ZINC001258877483 1044826522 /nfs/dbraw/zinc/82/65/22/1044826522.db2.gz WLHUNNMXNUJSDI-FUHWJXTLSA-N 2 2 386.492 3.500 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)o1 ZINC000848912040 1045181311 /nfs/dbraw/zinc/18/13/11/1045181311.db2.gz MZGYFGJVHIPCJG-OVRYWKHZSA-N 2 2 377.444 3.681 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC001296740143 1045365981 /nfs/dbraw/zinc/36/59/81/1045365981.db2.gz ANGPIIXSGUACRY-INIZCTEOSA-N 2 2 382.533 3.871 20 0 GHADLP CC[C@@H](C(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C)[NH+](C)C ZINC001298564313 1045872977 /nfs/dbraw/zinc/87/29/77/1045872977.db2.gz LFPBVMIDSLOUFM-PMACEKPBSA-N 2 2 379.976 3.739 20 0 GHADLP CC[C@@H](C(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C)[NH+](C)C ZINC001298564313 1045872992 /nfs/dbraw/zinc/87/29/92/1045872992.db2.gz LFPBVMIDSLOUFM-PMACEKPBSA-N 2 2 379.976 3.739 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](CC(C)C)C[NH+]3CCCC3)cn2c1 ZINC001298637715 1045903848 /nfs/dbraw/zinc/90/38/48/1045903848.db2.gz WBZFCCLUDLZJTL-SFHVURJKSA-N 2 2 388.581 3.503 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)/C=C/c3csc(C(F)(F)F)c3)c2)CC1 ZINC001302318593 1046908482 /nfs/dbraw/zinc/90/84/82/1046908482.db2.gz TYAPTNIAUMLEAU-NSCUHMNNSA-N 2 2 396.438 3.566 20 0 GHADLP CC[NH+](CC)CC[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC001263800782 1047140766 /nfs/dbraw/zinc/14/07/66/1047140766.db2.gz CTHGYLLECHJSGC-NRFANRHFSA-N 2 2 383.540 3.703 20 0 GHADLP CC1(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001303304097 1047350719 /nfs/dbraw/zinc/35/07/19/1047350719.db2.gz OPBQCCNJKUDQMI-JOCHJYFZSA-N 2 2 395.522 3.601 20 0 GHADLP CCCCCC[N@H+](C)CC(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC001303313658 1047356832 /nfs/dbraw/zinc/35/68/32/1047356832.db2.gz OZBBJHVCYUFMDM-OAQYLSRUSA-N 2 2 377.548 3.933 20 0 GHADLP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC001303313658 1047356837 /nfs/dbraw/zinc/35/68/37/1047356837.db2.gz OZBBJHVCYUFMDM-OAQYLSRUSA-N 2 2 377.548 3.933 20 0 GHADLP Brc1cnc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4ccc[nH]4)(C2)CCC3)s1 ZINC001279113182 1047722340 /nfs/dbraw/zinc/72/23/40/1047722340.db2.gz UZSDSKREPOKMDL-SJORKVTESA-N 2 2 395.370 3.959 20 0 GHADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2[nH]cc(Cl)c21 ZINC001279298383 1047759587 /nfs/dbraw/zinc/75/95/87/1047759587.db2.gz WQJJPODYFDSNHC-ALOPSCKCSA-N 2 2 377.916 3.527 20 0 GHADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2[nH]cc(Cl)c21 ZINC001279298383 1047759594 /nfs/dbraw/zinc/75/95/94/1047759594.db2.gz WQJJPODYFDSNHC-ALOPSCKCSA-N 2 2 377.916 3.527 20 0 GHADLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)c(O)c(F)c1)CC2 ZINC001279344975 1047775036 /nfs/dbraw/zinc/77/50/36/1047775036.db2.gz KTZSQEBTBMDARJ-UHFFFAOYSA-N 2 2 379.476 3.533 20 0 GHADLP CCn1ccnc1C[NH+]1CC2(C1)CC[NH+](Cc1c(Cl)cncc1Cl)CC2 ZINC001279389907 1047790397 /nfs/dbraw/zinc/79/03/97/1047790397.db2.gz JWPRVYZJIHOBHO-UHFFFAOYSA-N 2 2 394.350 3.703 20 0 GHADLP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1c(F)ccc(F)c1Cl)CC2 ZINC001279442090 1047808203 /nfs/dbraw/zinc/80/82/03/1047808203.db2.gz JWEYFSUETBQMTD-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1c(F)ccc(F)c1Cl)CC2 ZINC001279442090 1047808209 /nfs/dbraw/zinc/80/82/09/1047808209.db2.gz JWEYFSUETBQMTD-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1c(F)cc(F)cc1Cl)CC2 ZINC001279468550 1047817195 /nfs/dbraw/zinc/81/71/95/1047817195.db2.gz IDFRRBIFEJDZCL-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1c(F)cc(F)cc1Cl)CC2 ZINC001279468550 1047817199 /nfs/dbraw/zinc/81/71/99/1047817199.db2.gz IDFRRBIFEJDZCL-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP Oc1ccc(F)c(C[NH+]2CCC3(C[NH+](CCCC(F)(F)F)C3)CC2)c1F ZINC001279498746 1047825447 /nfs/dbraw/zinc/82/54/47/1047825447.db2.gz MRGVSDMKOFWWLT-UHFFFAOYSA-N 2 2 378.385 3.911 20 0 GHADLP Brc1sccc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001279515266 1047830830 /nfs/dbraw/zinc/83/08/30/1047830830.db2.gz MANNCACUKVXUES-SJORKVTESA-N 2 2 395.370 3.959 20 0 GHADLP Oc1cc(F)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)cc1Cl ZINC001280052738 1048064964 /nfs/dbraw/zinc/06/49/64/1048064964.db2.gz OUJWNBSFUMIXKB-GASCZTMLSA-N 2 2 377.891 3.857 20 0 GHADLP Oc1cc(F)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)cc1Cl ZINC001280052738 1048064979 /nfs/dbraw/zinc/06/49/79/1048064979.db2.gz OUJWNBSFUMIXKB-GASCZTMLSA-N 2 2 377.891 3.857 20 0 GHADLP Oc1cc(F)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)cc1Cl ZINC001280052738 1048064995 /nfs/dbraw/zinc/06/49/95/1048064995.db2.gz OUJWNBSFUMIXKB-GASCZTMLSA-N 2 2 377.891 3.857 20 0 GHADLP Oc1cc(F)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)cc1Cl ZINC001280052738 1048065009 /nfs/dbraw/zinc/06/50/09/1048065009.db2.gz OUJWNBSFUMIXKB-GASCZTMLSA-N 2 2 377.891 3.857 20 0 GHADLP CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c(Cl)n1 ZINC001280184122 1048120614 /nfs/dbraw/zinc/12/06/14/1048120614.db2.gz IDHCZYKHFSCNQQ-NRFANRHFSA-N 2 2 378.992 3.708 20 0 GHADLP CC(C)c1cc(Br)cc(C[NH+]2CC3(C2)CCN(CC[NH+](C)C)C3)c1 ZINC001280318502 1048179526 /nfs/dbraw/zinc/17/95/26/1048179526.db2.gz MIEDRGMFDNOWTK-UHFFFAOYSA-N 2 2 394.401 3.642 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC=C(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC001307736939 1049549379 /nfs/dbraw/zinc/54/93/79/1049549379.db2.gz QOOUAWIFVIBTLK-JOCHJYFZSA-N 2 2 397.950 3.848 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC001307736939 1049549393 /nfs/dbraw/zinc/54/93/93/1049549393.db2.gz QOOUAWIFVIBTLK-JOCHJYFZSA-N 2 2 397.950 3.848 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H]3CCN(c4ccc(C)cc4)C3=O)C2)s1 ZINC001307750353 1049564439 /nfs/dbraw/zinc/56/44/39/1049564439.db2.gz IJJLBTWYSMAHCI-KNQAVFIVSA-N 2 2 397.588 3.924 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H]3CCN(c4ccc(C)cc4)C3=O)C2)s1 ZINC001307750353 1049564447 /nfs/dbraw/zinc/56/44/47/1049564447.db2.gz IJJLBTWYSMAHCI-KNQAVFIVSA-N 2 2 397.588 3.924 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H]3CCN(c4ccc(C)cc4)C3=O)C2)s1 ZINC001307750353 1049564458 /nfs/dbraw/zinc/56/44/58/1049564458.db2.gz IJJLBTWYSMAHCI-KNQAVFIVSA-N 2 2 397.588 3.924 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H]3CCN(c4ccc(C)cc4)C3=O)C2)s1 ZINC001307750353 1049564467 /nfs/dbraw/zinc/56/44/67/1049564467.db2.gz IJJLBTWYSMAHCI-KNQAVFIVSA-N 2 2 397.588 3.924 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c(C)c1OC ZINC001307808406 1049606133 /nfs/dbraw/zinc/60/61/33/1049606133.db2.gz OYGHGSVHFSMTCP-HXUWFJFHSA-N 2 2 397.563 3.875 20 0 GHADLP Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001307920934 1049697594 /nfs/dbraw/zinc/69/75/94/1049697594.db2.gz QRNUMGZHKLITFD-NRFANRHFSA-N 2 2 392.547 3.574 20 0 GHADLP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001307920934 1049697599 /nfs/dbraw/zinc/69/75/99/1049697599.db2.gz QRNUMGZHKLITFD-NRFANRHFSA-N 2 2 392.547 3.574 20 0 GHADLP O[C@H]1C[C@]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)(c2ccc(Br)cc2)C1 ZINC001308059636 1049807721 /nfs/dbraw/zinc/80/77/21/1049807721.db2.gz QRMSEBSDMSQOIM-BGYRXZFFSA-N 2 2 398.304 3.775 20 0 GHADLP Cc1c(-c2cc(C[N@@H+]3CCC[C@@H](c4c[nH+]cn4C(C)(C)C)C3)on2)cnn1C ZINC001308165868 1049895966 /nfs/dbraw/zinc/89/59/66/1049895966.db2.gz RFUSQWZQEHLXBE-MRXNPFEDSA-N 2 2 382.512 3.715 20 0 GHADLP Cc1c(-c2cc(C[N@H+]3CCC[C@@H](c4c[nH+]cn4C(C)(C)C)C3)on2)cnn1C ZINC001308165868 1049895971 /nfs/dbraw/zinc/89/59/71/1049895971.db2.gz RFUSQWZQEHLXBE-MRXNPFEDSA-N 2 2 382.512 3.715 20 0 GHADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccccc3OC(F)(F)F)cc2)CC1 ZINC001308200183 1049910643 /nfs/dbraw/zinc/91/06/43/1049910643.db2.gz IGPZQFWWUVLEOV-UHFFFAOYSA-N 2 2 393.453 3.622 20 0 GHADLP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3ccccc3OCC3CC3)c2)CC1 ZINC001308243599 1049924110 /nfs/dbraw/zinc/92/41/10/1049924110.db2.gz AJVGTUSGLPXLML-UHFFFAOYSA-N 2 2 379.548 3.513 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC[N@@H+]1C ZINC001308293212 1049939974 /nfs/dbraw/zinc/93/99/74/1049939974.db2.gz KNKNFCPRVJTOKB-HOCLYGCPSA-N 2 2 379.570 3.614 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC[N@H+]1C ZINC001308293212 1049939976 /nfs/dbraw/zinc/93/99/76/1049939976.db2.gz KNKNFCPRVJTOKB-HOCLYGCPSA-N 2 2 379.570 3.614 20 0 GHADLP Clc1c(Br)cccc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC001308437484 1049975916 /nfs/dbraw/zinc/97/59/16/1049975916.db2.gz PZCPVZWTJFICPN-UHFFFAOYSA-N 2 2 377.673 3.973 20 0 GHADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)n1 ZINC001308450365 1049979250 /nfs/dbraw/zinc/97/92/50/1049979250.db2.gz HHERANINTQTVJF-ROUUACIJSA-N 2 2 378.442 3.998 20 0 GHADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)n1 ZINC001308450365 1049979253 /nfs/dbraw/zinc/97/92/53/1049979253.db2.gz HHERANINTQTVJF-ROUUACIJSA-N 2 2 378.442 3.998 20 0 GHADLP Cc1ccoc1C[NH2+]Cc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001308519406 1049996918 /nfs/dbraw/zinc/99/69/18/1049996918.db2.gz TXUCGTZFTQWAGO-UHFFFAOYSA-N 2 2 399.535 3.931 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC001308533262 1050000903 /nfs/dbraw/zinc/00/09/03/1050000903.db2.gz KUPFRKJLXWNWAE-UHFFFAOYSA-N 2 2 399.130 3.962 20 0 GHADLP COc1cc(Br)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1O ZINC001308682265 1050058348 /nfs/dbraw/zinc/05/83/48/1050058348.db2.gz PNJOBABVCRKFPE-UONOGXRCSA-N 2 2 397.357 3.906 20 0 GHADLP COc1cc(Br)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1O ZINC001308682265 1050058354 /nfs/dbraw/zinc/05/83/54/1050058354.db2.gz PNJOBABVCRKFPE-UONOGXRCSA-N 2 2 397.357 3.906 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Br)ccc1Br ZINC001308745484 1050078731 /nfs/dbraw/zinc/07/87/31/1050078731.db2.gz YGSNBESMXYEQHO-UHFFFAOYSA-N 2 2 387.119 3.930 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Br)ccc1Br ZINC001308745484 1050078738 /nfs/dbraw/zinc/07/87/38/1050078738.db2.gz YGSNBESMXYEQHO-UHFFFAOYSA-N 2 2 387.119 3.930 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C[C@H]1C ZINC001308919841 1050169564 /nfs/dbraw/zinc/16/95/64/1050169564.db2.gz SXXCKFZVEWNMQU-HGIWEUDGSA-N 2 2 385.552 3.751 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]c2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C[C@H]1C ZINC001308919841 1050169571 /nfs/dbraw/zinc/16/95/71/1050169571.db2.gz SXXCKFZVEWNMQU-HGIWEUDGSA-N 2 2 385.552 3.751 20 0 GHADLP Cc1cccc(CCCn2c(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)nnc2C(C)(C)C)[nH+]1 ZINC001492527362 1052157997 /nfs/dbraw/zinc/15/79/97/1052157997.db2.gz GCFQLMYCQVZRSA-AZUAARDMSA-N 2 2 396.583 3.585 20 0 GHADLP Cc1cccc(CCCn2c(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)nnc2C(C)(C)C)[nH+]1 ZINC001492527362 1052158002 /nfs/dbraw/zinc/15/80/02/1052158002.db2.gz GCFQLMYCQVZRSA-AZUAARDMSA-N 2 2 396.583 3.585 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001312641781 1052821502 /nfs/dbraw/zinc/82/15/02/1052821502.db2.gz MVXJDUVNLPCUJG-MJGOQNOKSA-N 2 2 389.588 3.648 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001312641781 1052821506 /nfs/dbraw/zinc/82/15/06/1052821506.db2.gz MVXJDUVNLPCUJG-MJGOQNOKSA-N 2 2 389.588 3.648 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC001312854857 1052893910 /nfs/dbraw/zinc/89/39/10/1052893910.db2.gz JJCSSLFGIRASNL-UYAOXDASSA-N 2 2 394.991 3.549 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC001312854857 1052893912 /nfs/dbraw/zinc/89/39/12/1052893912.db2.gz JJCSSLFGIRASNL-UYAOXDASSA-N 2 2 394.991 3.549 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)CCCO1 ZINC001343057735 1053523280 /nfs/dbraw/zinc/52/32/80/1053523280.db2.gz IXFPEHFNXDSBIC-OAHLLOKOSA-N 2 2 383.558 3.686 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)CCCO1 ZINC001343057735 1053523289 /nfs/dbraw/zinc/52/32/89/1053523289.db2.gz IXFPEHFNXDSBIC-OAHLLOKOSA-N 2 2 383.558 3.686 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC001318504286 1054684420 /nfs/dbraw/zinc/68/44/20/1054684420.db2.gz PYEHCRKJHMRNQC-VXKWHMMOSA-N 2 2 395.547 3.896 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC001318504286 1054684425 /nfs/dbraw/zinc/68/44/25/1054684425.db2.gz PYEHCRKJHMRNQC-VXKWHMMOSA-N 2 2 395.547 3.896 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)N[C@@H](c2ccccc2)C2CC2)[nH+]1 ZINC001319385024 1055218453 /nfs/dbraw/zinc/21/84/53/1055218453.db2.gz MGXWZUPFDUMZSX-OFNKIYASSA-N 2 2 378.520 3.534 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)N[C@@H](c2ccccc2)C2CC2)[nH+]1 ZINC001319385024 1055218464 /nfs/dbraw/zinc/21/84/64/1055218464.db2.gz MGXWZUPFDUMZSX-OFNKIYASSA-N 2 2 378.520 3.534 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 ZINC001319705681 1055413970 /nfs/dbraw/zinc/41/39/70/1055413970.db2.gz YAQVLMVBSNSRJQ-UFYCRDLUSA-N 2 2 389.902 3.643 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 ZINC001319705681 1055413978 /nfs/dbraw/zinc/41/39/78/1055413978.db2.gz YAQVLMVBSNSRJQ-UFYCRDLUSA-N 2 2 389.902 3.643 20 0 GHADLP C[C@@H](C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000505811736 1057158025 /nfs/dbraw/zinc/15/80/25/1057158025.db2.gz IQTUKPRVKIWQJG-SFHVURJKSA-N 2 2 389.503 3.549 20 0 GHADLP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CCN1C(=O)OC(C)(C)C ZINC001324724198 1057212327 /nfs/dbraw/zinc/21/23/27/1057212327.db2.gz LWICFUXYHMXWQK-GUDVDZBRSA-N 2 2 390.572 3.710 20 0 GHADLP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CCN1C(=O)OC(C)(C)C ZINC001324724198 1057212333 /nfs/dbraw/zinc/21/23/33/1057212333.db2.gz LWICFUXYHMXWQK-GUDVDZBRSA-N 2 2 390.572 3.710 20 0 GHADLP CC[C@@H](C)[NH2+][C@@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1ccco1 ZINC000849051372 1057561112 /nfs/dbraw/zinc/56/11/12/1057561112.db2.gz IOPHHHBXBJQHJH-CJNGLKHVSA-N 2 2 398.429 3.922 20 0 GHADLP [NH3+][C@@H](C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1cccc(Cl)c1 ZINC001327196437 1057619962 /nfs/dbraw/zinc/61/99/62/1057619962.db2.gz QNWLDEWATNORBJ-HXUWFJFHSA-N 2 2 397.910 3.841 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](c3ccc(CC(C)C)cc3)[NH+](C)C)ccn12 ZINC001450797980 1060694686 /nfs/dbraw/zinc/69/46/86/1060694686.db2.gz JKJIZHHZMCQLHP-OAQYLSRUSA-N 2 2 378.520 3.874 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Cl)ccc1SC1CCCC1 ZINC001453163554 1061085022 /nfs/dbraw/zinc/08/50/22/1061085022.db2.gz JSBUDBSVPZMDAN-UHFFFAOYSA-N 2 2 398.016 3.988 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Cl)ccc1SC1CCCC1 ZINC001453163554 1061085035 /nfs/dbraw/zinc/08/50/35/1061085035.db2.gz JSBUDBSVPZMDAN-UHFFFAOYSA-N 2 2 398.016 3.988 20 0 GHADLP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001453644525 1061174821 /nfs/dbraw/zinc/17/48/21/1061174821.db2.gz XICPOFBMMOWWDK-IRLDBZIGSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001453644525 1061174828 /nfs/dbraw/zinc/17/48/28/1061174828.db2.gz XICPOFBMMOWWDK-IRLDBZIGSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001453644525 1061174838 /nfs/dbraw/zinc/17/48/38/1061174838.db2.gz XICPOFBMMOWWDK-IRLDBZIGSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001453644525 1061174843 /nfs/dbraw/zinc/17/48/43/1061174843.db2.gz XICPOFBMMOWWDK-IRLDBZIGSA-N 2 2 387.543 3.703 20 0 GHADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001455460033 1062162878 /nfs/dbraw/zinc/16/28/78/1062162878.db2.gz XLJWKZPXPVPMSJ-QHCPKHFHSA-N 2 2 397.538 3.839 20 0 GHADLP Cc1c(C(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cnn1-c1cc[nH+]cc1 ZINC001350057911 1063975698 /nfs/dbraw/zinc/97/56/98/1063975698.db2.gz UMLSHEFINFSWJG-KRWDZBQOSA-N 2 2 392.507 3.547 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](CCCOc3cccc(C(C)(C)C)c3)CC2)c1 ZINC001459469002 1064106559 /nfs/dbraw/zinc/10/65/59/1064106559.db2.gz UWNGLWXTUMKWBQ-UHFFFAOYSA-N 2 2 383.536 3.979 20 0 GHADLP CC[NH+](CC)CC[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)c1ccccc1 ZINC001463422586 1064336720 /nfs/dbraw/zinc/33/67/20/1064336720.db2.gz HHAOTJKXMZQXGP-OAQYLSRUSA-N 2 2 378.520 3.775 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC001466095495 1065981986 /nfs/dbraw/zinc/98/19/86/1065981986.db2.gz FSOCAYKTMUSAOU-FSSWDIPSSA-N 2 2 383.511 3.770 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC001466095495 1065981988 /nfs/dbraw/zinc/98/19/88/1065981988.db2.gz FSOCAYKTMUSAOU-FSSWDIPSSA-N 2 2 383.511 3.770 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C[N@H+](C)CCc2ccccc2)c(C)c1 ZINC001466293723 1066077376 /nfs/dbraw/zinc/07/73/76/1066077376.db2.gz JHEKVXAZZPCZNV-HSZRJFAPSA-N 2 2 390.531 3.532 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C[N@@H+](C)CCc2ccccc2)c(C)c1 ZINC001466293723 1066077388 /nfs/dbraw/zinc/07/73/88/1066077388.db2.gz JHEKVXAZZPCZNV-HSZRJFAPSA-N 2 2 390.531 3.532 20 0 GHADLP CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CC1 ZINC001357310969 1067042636 /nfs/dbraw/zinc/04/26/36/1067042636.db2.gz YJPQWCRYGGEJFY-LJQANCHMSA-N 2 2 389.588 3.649 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC001357640519 1067210471 /nfs/dbraw/zinc/21/04/71/1067210471.db2.gz HAZWRGGTJJIFLH-HBGVWJBISA-N 2 2 385.939 3.894 20 0 GHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC001357640519 1067210481 /nfs/dbraw/zinc/21/04/81/1067210481.db2.gz HAZWRGGTJJIFLH-HBGVWJBISA-N 2 2 385.939 3.894 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c(C)c1 ZINC001469503072 1068195323 /nfs/dbraw/zinc/19/53/23/1068195323.db2.gz SNRJFULBZVWINL-RTWAWAEBSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c(C)c1 ZINC001469503072 1068195324 /nfs/dbraw/zinc/19/53/24/1068195324.db2.gz SNRJFULBZVWINL-RTWAWAEBSA-N 2 2 397.567 3.661 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(F)c1Sc1ccccc1 ZINC001470006009 1068516410 /nfs/dbraw/zinc/51/64/10/1068516410.db2.gz HYLQSOXWOODJPB-UHFFFAOYSA-N 2 2 389.540 3.590 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(F)c1Sc1ccccc1 ZINC001470006009 1068516424 /nfs/dbraw/zinc/51/64/24/1068516424.db2.gz HYLQSOXWOODJPB-UHFFFAOYSA-N 2 2 389.540 3.590 20 0 GHADLP CCOC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001460318659 1068922925 /nfs/dbraw/zinc/92/29/25/1068922925.db2.gz SLSXORBAPRZGMS-XQBPLPMBSA-N 2 2 390.568 3.705 20 0 GHADLP CCOC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001460318659 1068922927 /nfs/dbraw/zinc/92/29/27/1068922927.db2.gz SLSXORBAPRZGMS-XQBPLPMBSA-N 2 2 390.568 3.705 20 0 GHADLP CCOC(=O)[C@@H](CC(C)C)[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001460318659 1068922929 /nfs/dbraw/zinc/92/29/29/1068922929.db2.gz SLSXORBAPRZGMS-XQBPLPMBSA-N 2 2 390.568 3.705 20 0 GHADLP CCOC(=O)[C@@H](CC(C)C)[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001460318659 1068922932 /nfs/dbraw/zinc/92/29/32/1068922932.db2.gz SLSXORBAPRZGMS-XQBPLPMBSA-N 2 2 390.568 3.705 20 0 GHADLP C[C@H](C(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)n1cc[nH+]c1 ZINC001472162092 1073352469 /nfs/dbraw/zinc/35/24/69/1073352469.db2.gz PSQWJYWPRZTEHK-WNOPAQSVSA-N 2 2 388.515 3.619 20 0 GHADLP C[C@H](C(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)n1cc[nH+]c1 ZINC001472162092 1073352481 /nfs/dbraw/zinc/35/24/81/1073352481.db2.gz PSQWJYWPRZTEHK-WNOPAQSVSA-N 2 2 388.515 3.619 20 0 GHADLP C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001473525851 1074001987 /nfs/dbraw/zinc/00/19/87/1074001987.db2.gz ILHDQXDYNBOCBG-PMVMPFDFSA-N 2 2 382.548 3.657 20 0 GHADLP C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001473525851 1074001998 /nfs/dbraw/zinc/00/19/98/1074001998.db2.gz ILHDQXDYNBOCBG-PMVMPFDFSA-N 2 2 382.548 3.657 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001473525851 1074002010 /nfs/dbraw/zinc/00/20/10/1074002010.db2.gz ILHDQXDYNBOCBG-PMVMPFDFSA-N 2 2 382.548 3.657 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001473525851 1074002018 /nfs/dbraw/zinc/00/20/18/1074002018.db2.gz ILHDQXDYNBOCBG-PMVMPFDFSA-N 2 2 382.548 3.657 20 0 GHADLP CO[C@@H](CC(C)C)C[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001473528826 1074003973 /nfs/dbraw/zinc/00/39/73/1074003973.db2.gz GWMQRPJCRQDWAP-QFIPXVFZSA-N 2 2 394.003 3.988 20 0 GHADLP C[NH+]1CCN([C@H](C[NH2+]Cc2c(Cl)cncc2Cl)c2cccs2)CC1 ZINC001473913582 1074201336 /nfs/dbraw/zinc/20/13/36/1074201336.db2.gz HBMHYHKIQKSGMM-MRXNPFEDSA-N 2 2 385.364 3.528 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(OC(F)F)cc3F)[nH+]c2)C1 ZINC001474076658 1074256235 /nfs/dbraw/zinc/25/62/35/1074256235.db2.gz DYAMVMIDKQKZAC-OAHLLOKOSA-N 2 2 380.414 3.575 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)CCc2ccccc21 ZINC001474080953 1074257585 /nfs/dbraw/zinc/25/75/85/1074257585.db2.gz KUIXSBSYOZGGLO-JOCHJYFZSA-N 2 2 397.906 3.539 20 0 GHADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001474087938 1074259933 /nfs/dbraw/zinc/25/99/33/1074259933.db2.gz QEMBZVNTGOFSDU-DVECYGJZSA-N 2 2 380.532 3.811 20 0 GHADLP CC1(C)CC[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC001474754676 1074547107 /nfs/dbraw/zinc/54/71/07/1074547107.db2.gz AOYSOGSQQTYOGA-UHFFFAOYSA-N 2 2 387.568 3.888 20 0 GHADLP CC1(C)CC[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC001474754676 1074547115 /nfs/dbraw/zinc/54/71/15/1074547115.db2.gz AOYSOGSQQTYOGA-UHFFFAOYSA-N 2 2 387.568 3.888 20 0 GHADLP CCC(C)(C)[NH+]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC001475874950 1075038753 /nfs/dbraw/zinc/03/87/53/1075038753.db2.gz ZTZDTFDUKHDKCO-MRXNPFEDSA-N 2 2 393.601 3.713 20 0 GHADLP CCC(C)(C)[NH+]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC001475874950 1075038757 /nfs/dbraw/zinc/03/87/57/1075038757.db2.gz ZTZDTFDUKHDKCO-MRXNPFEDSA-N 2 2 393.601 3.713 20 0 GHADLP CCCC[N@H+](C)CC1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC1 ZINC000821062124 606458814 /nfs/dbraw/zinc/45/88/14/606458814.db2.gz UFBMGSBTAKHDKS-UHFFFAOYSA-N 2 2 393.539 3.672 20 0 GHADLP CCCC[N@@H+](C)CC1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC1 ZINC000821062124 606458816 /nfs/dbraw/zinc/45/88/16/606458816.db2.gz UFBMGSBTAKHDKS-UHFFFAOYSA-N 2 2 393.539 3.672 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577081 609138008 /nfs/dbraw/zinc/13/80/08/609138008.db2.gz GKPLHNVEGRWGSQ-WMZOPIPTSA-N 2 2 394.498 3.569 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577081 609138010 /nfs/dbraw/zinc/13/80/10/609138010.db2.gz GKPLHNVEGRWGSQ-WMZOPIPTSA-N 2 2 394.498 3.569 20 0 GHADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000508339507 719247598 /nfs/dbraw/zinc/24/75/98/719247598.db2.gz OHZFWNWXZIUENV-HOTGVXAUSA-N 2 2 395.576 3.949 20 0 GHADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000508339507 719247602 /nfs/dbraw/zinc/24/76/02/719247602.db2.gz OHZFWNWXZIUENV-HOTGVXAUSA-N 2 2 395.576 3.949 20 0 GHADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(SC)cc[nH+]1)CC2 ZINC001164710390 720142688 /nfs/dbraw/zinc/14/26/88/720142688.db2.gz AQJZEJMCDFCKSI-IBGZPJMESA-N 2 2 398.576 3.706 20 0 GHADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(SC)cc[nH+]1)CC2 ZINC001164710390 720142692 /nfs/dbraw/zinc/14/26/92/720142692.db2.gz AQJZEJMCDFCKSI-IBGZPJMESA-N 2 2 398.576 3.706 20 0 GHADLP CCCc1cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc(C)[nH+]1 ZINC001164940718 721928963 /nfs/dbraw/zinc/92/89/63/721928963.db2.gz YRCZTJVBYFDUDR-UHFFFAOYSA-N 2 2 394.563 3.917 20 0 GHADLP CCCc1cc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc(C)[nH+]1 ZINC001164940718 721928965 /nfs/dbraw/zinc/92/89/65/721928965.db2.gz YRCZTJVBYFDUDR-UHFFFAOYSA-N 2 2 394.563 3.917 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3C[C@H](C(C)(C)C)c4ccccc43)C2)CC1 ZINC000683559068 837565312 /nfs/dbraw/zinc/56/53/12/837565312.db2.gz KKDIKXBVWLVCAT-XLIONFOSSA-N 2 2 384.568 3.514 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3C[C@H](C(C)(C)C)c4ccccc43)C2)CC1 ZINC000683559068 837565320 /nfs/dbraw/zinc/56/53/20/837565320.db2.gz KKDIKXBVWLVCAT-XLIONFOSSA-N 2 2 384.568 3.514 20 0 GHADLP Clc1ccccc1[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCCC1 ZINC000655692337 837672992 /nfs/dbraw/zinc/67/29/92/837672992.db2.gz UNSPKGUCDZACHZ-UGKGYDQZSA-N 2 2 391.987 3.710 20 0 GHADLP Clc1ccccc1[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCCC1 ZINC000655692337 837672996 /nfs/dbraw/zinc/67/29/96/837672996.db2.gz UNSPKGUCDZACHZ-UGKGYDQZSA-N 2 2 391.987 3.710 20 0 GHADLP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1OC1CCCC1 ZINC000655692814 837677074 /nfs/dbraw/zinc/67/70/74/837677074.db2.gz VJSQVIXPJNJTKW-PXNSSMCTSA-N 2 2 388.552 3.921 20 0 GHADLP [NH3+][C@H](C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000238019228 837768432 /nfs/dbraw/zinc/76/84/32/837768432.db2.gz SXHDDAFBSJQBGB-IRLDBZIGSA-N 2 2 391.540 3.664 20 0 GHADLP [NH3+][C@H](C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000238019228 837768438 /nfs/dbraw/zinc/76/84/38/837768438.db2.gz SXHDDAFBSJQBGB-IRLDBZIGSA-N 2 2 391.540 3.664 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584399158 834519710 /nfs/dbraw/zinc/51/97/10/834519710.db2.gz VNTOOFRLIVYJDG-RTBURBONSA-N 2 2 388.874 3.649 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584399158 834519715 /nfs/dbraw/zinc/51/97/15/834519715.db2.gz VNTOOFRLIVYJDG-RTBURBONSA-N 2 2 388.874 3.649 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(C(F)F)nc1 ZINC000657857285 834551119 /nfs/dbraw/zinc/55/11/19/834551119.db2.gz ZGUDHARWTHDKBT-INIZCTEOSA-N 2 2 391.462 3.581 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Br)c1 ZINC000579775297 834625027 /nfs/dbraw/zinc/62/50/27/834625027.db2.gz YMSMCBXFHGGNMM-BEFAXECRSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Br)c1 ZINC000579775297 834625034 /nfs/dbraw/zinc/62/50/34/834625034.db2.gz YMSMCBXFHGGNMM-BEFAXECRSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Br)c1 ZINC000579775297 834625039 /nfs/dbraw/zinc/62/50/39/834625039.db2.gz YMSMCBXFHGGNMM-BEFAXECRSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Br)c1 ZINC000579775297 834625041 /nfs/dbraw/zinc/62/50/41/834625041.db2.gz YMSMCBXFHGGNMM-BEFAXECRSA-N 2 2 379.342 3.906 20 0 GHADLP C[NH2+]Cc1ccccc1C[NH2+]Cc1ncc(Br)cc1Br ZINC000650719553 834668759 /nfs/dbraw/zinc/66/87/59/834668759.db2.gz USSNDPHTIPIORC-UHFFFAOYSA-N 2 2 399.130 3.616 20 0 GHADLP C[C@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@@H+]1CCC[C@@H](C)C1 ZINC000536082426 834729601 /nfs/dbraw/zinc/72/96/01/834729601.db2.gz OPXTVJYECJVUGY-QZTJIDSGSA-N 2 2 393.535 3.844 20 0 GHADLP C[C@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@H+]1CCC[C@@H](C)C1 ZINC000536082426 834729609 /nfs/dbraw/zinc/72/96/09/834729609.db2.gz OPXTVJYECJVUGY-QZTJIDSGSA-N 2 2 393.535 3.844 20 0 GHADLP Cc1ccc([C@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[NH+]2CCCC2)cc1 ZINC000143082877 834778248 /nfs/dbraw/zinc/77/82/48/834778248.db2.gz UKTJTUDDRTXYJD-QHCPKHFHSA-N 2 2 388.515 3.807 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092574 835417433 /nfs/dbraw/zinc/41/74/33/835417433.db2.gz QNDFTESIYPZOMU-CZUORRHYSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092574 835417438 /nfs/dbraw/zinc/41/74/38/835417438.db2.gz QNDFTESIYPZOMU-CZUORRHYSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000154358351 835573422 /nfs/dbraw/zinc/57/34/22/835573422.db2.gz HGHRUUNYWKYACJ-CZAYHTPWSA-N 2 2 395.551 3.529 20 0 GHADLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000154358351 835573426 /nfs/dbraw/zinc/57/34/26/835573426.db2.gz HGHRUUNYWKYACJ-CZAYHTPWSA-N 2 2 395.551 3.529 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000154405003 835653332 /nfs/dbraw/zinc/65/33/32/835653332.db2.gz YCBYRDMIXVCLKR-KDOFPFPSSA-N 2 2 389.341 3.821 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC[N@H+]1C ZINC000154405003 835653336 /nfs/dbraw/zinc/65/33/36/835653336.db2.gz YCBYRDMIXVCLKR-KDOFPFPSSA-N 2 2 389.341 3.821 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC[NH+]1C ZINC000154405003 835653339 /nfs/dbraw/zinc/65/33/39/835653339.db2.gz YCBYRDMIXVCLKR-KDOFPFPSSA-N 2 2 389.341 3.821 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC[NH+]1C ZINC000154405003 835653342 /nfs/dbraw/zinc/65/33/42/835653342.db2.gz YCBYRDMIXVCLKR-KDOFPFPSSA-N 2 2 389.341 3.821 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1cccnc1Cl ZINC000274820459 835653353 /nfs/dbraw/zinc/65/33/53/835653353.db2.gz JQBDQMUCGBOMSP-XYJFISCASA-N 2 2 386.927 3.562 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1cccnc1Cl ZINC000274820459 835653356 /nfs/dbraw/zinc/65/33/56/835653356.db2.gz JQBDQMUCGBOMSP-XYJFISCASA-N 2 2 386.927 3.562 20 0 GHADLP C[C@H]1C[N@H+](CCCNc2cc[nH+]c3c(Br)cccc23)CCCO1 ZINC000432872928 844076825 /nfs/dbraw/zinc/07/68/25/844076825.db2.gz PEGIOSUXMRHLGC-AWEZNQCLSA-N 2 2 378.314 3.910 20 0 GHADLP C[C@H]1C[N@@H+](CCCNc2cc[nH+]c3c(Br)cccc23)CCCO1 ZINC000432872928 844076838 /nfs/dbraw/zinc/07/68/38/844076838.db2.gz PEGIOSUXMRHLGC-AWEZNQCLSA-N 2 2 378.314 3.910 20 0 GHADLP Cc1cc2ncc([C@H](C)[NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)c(C)n2n1 ZINC000179435853 835710628 /nfs/dbraw/zinc/71/06/28/835710628.db2.gz RIHNCQHBOOTILK-KRWDZBQOSA-N 2 2 392.551 3.732 20 0 GHADLP CC(C)(C)OC(=O)C1CCC([NH2+]CCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000092560737 844114823 /nfs/dbraw/zinc/11/48/23/844114823.db2.gz UDFVBGMSRJUFEE-UHFFFAOYSA-N 2 2 383.536 3.964 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000471221980 835975388 /nfs/dbraw/zinc/97/53/88/835975388.db2.gz YZKVVWXDOZHXHT-LBTNJELSSA-N 2 2 386.367 3.833 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000471221980 835975391 /nfs/dbraw/zinc/97/53/91/835975391.db2.gz YZKVVWXDOZHXHT-LBTNJELSSA-N 2 2 386.367 3.833 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000471221980 835975394 /nfs/dbraw/zinc/97/53/94/835975394.db2.gz YZKVVWXDOZHXHT-LBTNJELSSA-N 2 2 386.367 3.833 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000471221980 835975397 /nfs/dbraw/zinc/97/53/97/835975397.db2.gz YZKVVWXDOZHXHT-LBTNJELSSA-N 2 2 386.367 3.833 20 0 GHADLP Cc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc(OC(F)(F)F)c1 ZINC001143462854 836044770 /nfs/dbraw/zinc/04/47/70/836044770.db2.gz CEBOZZSSZHIXRS-OALUTQOASA-N 2 2 391.437 3.852 20 0 GHADLP Cn1cc([C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c2cccc(F)c2)cn1 ZINC000180425964 836168632 /nfs/dbraw/zinc/16/86/32/836168632.db2.gz GCEAIKXLBMMARF-HYBUGGRVSA-N 2 2 392.522 3.803 20 0 GHADLP Cn1cc([C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c2cccc(F)c2)cn1 ZINC000180425964 836168636 /nfs/dbraw/zinc/16/86/36/836168636.db2.gz GCEAIKXLBMMARF-HYBUGGRVSA-N 2 2 392.522 3.803 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccsc2Br)[C@H](C)C1 ZINC000510927628 844160192 /nfs/dbraw/zinc/16/01/92/844160192.db2.gz IZVNXVXRPYTUDL-UKRRQHHQSA-N 2 2 375.376 3.737 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccsc2Br)[C@H](C)C1 ZINC000510927628 844160200 /nfs/dbraw/zinc/16/02/00/844160200.db2.gz IZVNXVXRPYTUDL-UKRRQHHQSA-N 2 2 375.376 3.737 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccc(F)cc1 ZINC000414305584 837001603 /nfs/dbraw/zinc/00/16/03/837001603.db2.gz DMIJJNLLYVNOKE-CWKRKGSWSA-N 2 2 393.506 3.716 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccc(F)cc1 ZINC000414305584 837001611 /nfs/dbraw/zinc/00/16/11/837001611.db2.gz DMIJJNLLYVNOKE-CWKRKGSWSA-N 2 2 393.506 3.716 20 0 GHADLP CSc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)o1 ZINC000612959706 837018763 /nfs/dbraw/zinc/01/87/63/837018763.db2.gz MMLSOTMUXXUGHZ-MOPGFXCFSA-N 2 2 393.597 3.719 20 0 GHADLP CSc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)o1 ZINC000612959706 837018776 /nfs/dbraw/zinc/01/87/76/837018776.db2.gz MMLSOTMUXXUGHZ-MOPGFXCFSA-N 2 2 393.597 3.719 20 0 GHADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000584511187 837187990 /nfs/dbraw/zinc/18/79/90/837187990.db2.gz DJNQDDZXWNZMLH-MRXNPFEDSA-N 2 2 386.927 3.797 20 0 GHADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000584511187 837187996 /nfs/dbraw/zinc/18/79/96/837187996.db2.gz DJNQDDZXWNZMLH-MRXNPFEDSA-N 2 2 386.927 3.797 20 0 GHADLP CC1(C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000547853410 837264494 /nfs/dbraw/zinc/26/44/94/837264494.db2.gz OSFDAKYBOMPATQ-UHFFFAOYSA-N 2 2 397.588 3.695 20 0 GHADLP COCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000655766573 837843541 /nfs/dbraw/zinc/84/35/41/837843541.db2.gz RUFUFSDRTJVDKM-APWZRJJASA-N 2 2 387.351 3.914 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000377826053 838021549 /nfs/dbraw/zinc/02/15/49/838021549.db2.gz IJXJSBPKAUZGSN-AWEZNQCLSA-N 2 2 386.297 3.562 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000377826053 838021555 /nfs/dbraw/zinc/02/15/55/838021555.db2.gz IJXJSBPKAUZGSN-AWEZNQCLSA-N 2 2 386.297 3.562 20 0 GHADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cc1 ZINC000548011161 838460571 /nfs/dbraw/zinc/46/05/71/838460571.db2.gz YCBBUKKFQIBSCY-WBVHZDCISA-N 2 2 384.549 3.758 20 0 GHADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cc1 ZINC000548011161 838460578 /nfs/dbraw/zinc/46/05/78/838460578.db2.gz YCBBUKKFQIBSCY-WBVHZDCISA-N 2 2 384.549 3.758 20 0 GHADLP C[C@H](c1cccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000416151273 838638429 /nfs/dbraw/zinc/63/84/29/838638429.db2.gz PBORRNQEONUITI-XMSQKQJNSA-N 2 2 381.520 3.711 20 0 GHADLP O=C(CC[NH+]1CCC(Nc2cccc[nH+]2)CC1)N[C@H]1CCCc2ccccc21 ZINC000580046714 838732307 /nfs/dbraw/zinc/73/23/07/838732307.db2.gz GYAGLURHDZRHBZ-NRFANRHFSA-N 2 2 378.520 3.542 20 0 GHADLP Brc1cccc(-c2c[nH]c(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000415057409 839139060 /nfs/dbraw/zinc/13/90/60/839139060.db2.gz UCQYYKLEJRNHQD-YJBOKZPZSA-N 2 2 389.341 3.803 20 0 GHADLP Brc1cccc(-c2c[nH]c(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000415057409 839139067 /nfs/dbraw/zinc/13/90/67/839139067.db2.gz UCQYYKLEJRNHQD-YJBOKZPZSA-N 2 2 389.341 3.803 20 0 GHADLP Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000378524490 839279484 /nfs/dbraw/zinc/27/94/84/839279484.db2.gz XNMIYLPEXLYOIQ-LJQANCHMSA-N 2 2 383.540 3.595 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1nc3cc(C(F)(F)F)ccc3n1C)CCC2 ZINC000363886936 839428272 /nfs/dbraw/zinc/42/82/72/839428272.db2.gz FJHKMIYNBHSOMZ-ZDUSSCGKSA-N 2 2 377.414 3.764 20 0 GHADLP O[C@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1Br ZINC000783030869 839674360 /nfs/dbraw/zinc/67/43/60/839674360.db2.gz MPDLPGDRUQLLOM-LJQANCHMSA-N 2 2 392.341 3.871 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ccc3OC[C@@H]3CCCO3)CC[C@H]21 ZINC000535808354 844508159 /nfs/dbraw/zinc/50/81/59/844508159.db2.gz AKGJLERUJDFCIX-LSTHTHJFSA-N 2 2 378.944 3.814 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ccc3OC[C@@H]3CCCO3)CC[C@H]21 ZINC000535808354 844508165 /nfs/dbraw/zinc/50/81/65/844508165.db2.gz AKGJLERUJDFCIX-LSTHTHJFSA-N 2 2 378.944 3.814 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OC[C@@H]3CCCO3)CC[C@H]21 ZINC000535808354 844508170 /nfs/dbraw/zinc/50/81/70/844508170.db2.gz AKGJLERUJDFCIX-LSTHTHJFSA-N 2 2 378.944 3.814 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OC[C@@H]3CCCO3)CC[C@H]21 ZINC000535808354 844508179 /nfs/dbraw/zinc/50/81/79/844508179.db2.gz AKGJLERUJDFCIX-LSTHTHJFSA-N 2 2 378.944 3.814 20 0 GHADLP COC(=O)c1c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)nc2ccccc2c1-c1ccccc1 ZINC000584720687 840669467 /nfs/dbraw/zinc/66/94/67/840669467.db2.gz MVQALKFMUIWDCJ-QFBILLFUSA-N 2 2 389.499 3.858 20 0 GHADLP COC(=O)c1c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)nc2ccccc2c1-c1ccccc1 ZINC000584720687 840669473 /nfs/dbraw/zinc/66/94/73/840669473.db2.gz MVQALKFMUIWDCJ-QFBILLFUSA-N 2 2 389.499 3.858 20 0 GHADLP COCC[N@H+](C)CCCC1CCN(c2[nH+]ccc3cc(OC)c(F)cc32)CC1 ZINC000581094384 840693529 /nfs/dbraw/zinc/69/35/29/840693529.db2.gz OSBPEOBUWBOSTA-UHFFFAOYSA-N 2 2 389.515 3.957 20 0 GHADLP COCC[N@@H+](C)CCCC1CCN(c2[nH+]ccc3cc(OC)c(F)cc32)CC1 ZINC000581094384 840693532 /nfs/dbraw/zinc/69/35/32/840693532.db2.gz OSBPEOBUWBOSTA-UHFFFAOYSA-N 2 2 389.515 3.957 20 0 GHADLP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)ccc1OCc1c(C)noc1C ZINC000067500887 841012297 /nfs/dbraw/zinc/01/22/97/841012297.db2.gz BNMXUVJPRKDNAN-OAHLLOKOSA-N 2 2 384.480 3.501 20 0 GHADLP O[C@@H](COc1cccc2ccccc21)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660673766 841086784 /nfs/dbraw/zinc/08/67/84/841086784.db2.gz FHWSKGPGOUNRGO-HSZRJFAPSA-N 2 2 390.527 3.834 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000417769562 841186647 /nfs/dbraw/zinc/18/66/47/841186647.db2.gz BDPUXUPNMKKXEN-UGKGYDQZSA-N 2 2 379.548 3.873 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000417769562 841186652 /nfs/dbraw/zinc/18/66/52/841186652.db2.gz BDPUXUPNMKKXEN-UGKGYDQZSA-N 2 2 379.548 3.873 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2C(=O)N(C)C)CC[NH+]1Cc1ccccc1 ZINC000417769562 841186660 /nfs/dbraw/zinc/18/66/60/841186660.db2.gz BDPUXUPNMKKXEN-UGKGYDQZSA-N 2 2 379.548 3.873 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C(=O)N(C)C)CC[NH+]1Cc1ccccc1 ZINC000417769562 841186663 /nfs/dbraw/zinc/18/66/63/841186663.db2.gz BDPUXUPNMKKXEN-UGKGYDQZSA-N 2 2 379.548 3.873 20 0 GHADLP C[NH2+][C@H](C(=O)NCCCNc1ccc(C)c[nH+]1)c1cccc(Cl)c1Cl ZINC000662736759 841516553 /nfs/dbraw/zinc/51/65/53/841516553.db2.gz SVEFWDPCZGLQTJ-KRWDZBQOSA-N 2 2 381.307 3.576 20 0 GHADLP COc1ccc(Cl)c(N2CC[NH+](Cc3cn(-c4cc[nH+]cc4)nc3C)CC2)c1 ZINC000651868442 841755729 /nfs/dbraw/zinc/75/57/29/841755729.db2.gz PBQAGJGWFMWFGB-UHFFFAOYSA-N 2 2 397.910 3.560 20 0 GHADLP C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000236726520 841844390 /nfs/dbraw/zinc/84/43/90/841844390.db2.gz XVIYAQSZNLQTPM-UHFFFAOYSA-N 2 2 396.288 3.937 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cccc(F)c3OC(F)F)[nH+]c2)C1 ZINC000656770837 841908974 /nfs/dbraw/zinc/90/89/74/841908974.db2.gz SZJLBLMMYHVXPY-HNNXBMFYSA-N 2 2 380.414 3.575 20 0 GHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](Cc4ccc5c(c4)CCC5)C3)CC2)nc1 ZINC000604383963 842006111 /nfs/dbraw/zinc/00/61/11/842006111.db2.gz NLJSHBGCWYXQCM-JOCHJYFZSA-N 2 2 390.575 3.605 20 0 GHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccc5c(c4)CCC5)C3)CC2)nc1 ZINC000604383963 842006121 /nfs/dbraw/zinc/00/61/21/842006121.db2.gz NLJSHBGCWYXQCM-JOCHJYFZSA-N 2 2 390.575 3.605 20 0 GHADLP C[NH+](C)Cc1ccc(-c2noc([C@@H](c3ccccc3)[NH+]3CCSCC3)n2)cc1 ZINC000581751447 842141624 /nfs/dbraw/zinc/14/16/24/842141624.db2.gz ZPTCNAIRIXPYGX-HXUWFJFHSA-N 2 2 394.544 3.936 20 0 GHADLP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661853084 842237377 /nfs/dbraw/zinc/23/73/77/842237377.db2.gz BHDBWGYLGAKKDA-OALUTQOASA-N 2 2 399.583 3.515 20 0 GHADLP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661853084 842237382 /nfs/dbraw/zinc/23/73/82/842237382.db2.gz BHDBWGYLGAKKDA-OALUTQOASA-N 2 2 399.583 3.515 20 0 GHADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)c1 ZINC000177979848 861291299 /nfs/dbraw/zinc/29/12/99/861291299.db2.gz QHAQYXLWBBNWTA-YKSBVNFPSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)c1 ZINC000177979848 861291313 /nfs/dbraw/zinc/29/13/13/861291313.db2.gz QHAQYXLWBBNWTA-YKSBVNFPSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000177979848 861291326 /nfs/dbraw/zinc/29/13/26/861291326.db2.gz QHAQYXLWBBNWTA-YKSBVNFPSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000177979848 861291342 /nfs/dbraw/zinc/29/13/42/861291342.db2.gz QHAQYXLWBBNWTA-YKSBVNFPSA-N 3 2 380.580 3.922 20 0 GHADLP C[C@@H](c1nc2ccccc2s1)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000652339749 842297143 /nfs/dbraw/zinc/29/71/43/842297143.db2.gz KYYAYKHIGKTYGD-KRWDZBQOSA-N 2 2 392.572 3.821 20 0 GHADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Br)cc(F)c2F)C1 ZINC000652363315 842371272 /nfs/dbraw/zinc/37/12/72/842371272.db2.gz AWBIYMSYDZQERY-FVQBIDKESA-N 2 2 389.284 3.588 20 0 GHADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)cc(F)c2F)C1 ZINC000652363315 842371282 /nfs/dbraw/zinc/37/12/82/842371282.db2.gz AWBIYMSYDZQERY-FVQBIDKESA-N 2 2 389.284 3.588 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000278960044 842382198 /nfs/dbraw/zinc/38/21/98/842382198.db2.gz PETJMLNZKUXNFN-UHFFFAOYSA-N 2 2 388.487 3.575 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000278960044 842382209 /nfs/dbraw/zinc/38/22/09/842382209.db2.gz PETJMLNZKUXNFN-UHFFFAOYSA-N 2 2 388.487 3.575 20 0 GHADLP C[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Oc1ccccc1Br ZINC000512068005 842396728 /nfs/dbraw/zinc/39/67/28/842396728.db2.gz OIAMSLLJWNOCER-LBPRGKRZSA-N 2 2 384.343 3.524 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CCCO1 ZINC000432411683 842406426 /nfs/dbraw/zinc/40/64/26/842406426.db2.gz ABQDZLVPCOGFCG-CXAGYDPISA-N 2 2 385.321 3.666 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CCCO1 ZINC000432411683 842406432 /nfs/dbraw/zinc/40/64/32/842406432.db2.gz ABQDZLVPCOGFCG-CXAGYDPISA-N 2 2 385.321 3.666 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000648162174 842649203 /nfs/dbraw/zinc/64/92/03/842649203.db2.gz MXMLIPJSNJAVGQ-BZSNNMDCSA-N 2 2 378.303 3.555 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000648162174 842649211 /nfs/dbraw/zinc/64/92/11/842649211.db2.gz MXMLIPJSNJAVGQ-BZSNNMDCSA-N 2 2 378.303 3.555 20 0 GHADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000891742861 842795105 /nfs/dbraw/zinc/79/51/05/842795105.db2.gz FLJVXDSCFRSXRQ-UHFFFAOYSA-N 2 2 382.346 3.714 20 0 GHADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000891742861 842795112 /nfs/dbraw/zinc/79/51/12/842795112.db2.gz FLJVXDSCFRSXRQ-UHFFFAOYSA-N 2 2 382.346 3.714 20 0 GHADLP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000188390375 842923744 /nfs/dbraw/zinc/92/37/44/842923744.db2.gz OVGMWUVTEHUDHY-UHFFFAOYSA-N 2 2 397.567 3.775 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000432305582 843050011 /nfs/dbraw/zinc/05/00/11/843050011.db2.gz CHZMPZQKWAADEN-ZWKOTPCHSA-N 2 2 388.515 3.805 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000432305582 843050021 /nfs/dbraw/zinc/05/00/21/843050021.db2.gz CHZMPZQKWAADEN-ZWKOTPCHSA-N 2 2 388.515 3.805 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2cccs2)c2ccccc2)[C@@H](C)C1 ZINC000429809174 843060562 /nfs/dbraw/zinc/06/05/62/843060562.db2.gz QXJOMZKQVHMTKL-JLMWRMLUSA-N 2 2 385.577 3.616 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2cccs2)c2ccccc2)[C@@H](C)C1 ZINC000429809174 843060573 /nfs/dbraw/zinc/06/05/73/843060573.db2.gz QXJOMZKQVHMTKL-JLMWRMLUSA-N 2 2 385.577 3.616 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2cccs2)c2ccccc2)[C@@H](C)C1 ZINC000429809174 843060589 /nfs/dbraw/zinc/06/05/89/843060589.db2.gz QXJOMZKQVHMTKL-JLMWRMLUSA-N 2 2 385.577 3.616 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2cccs2)c2ccccc2)[C@@H](C)C1 ZINC000429809174 843060604 /nfs/dbraw/zinc/06/06/04/843060604.db2.gz QXJOMZKQVHMTKL-JLMWRMLUSA-N 2 2 385.577 3.616 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430879159 843128988 /nfs/dbraw/zinc/12/89/88/843128988.db2.gz RJGBQIHEOZIMCC-UHFFFAOYSA-N 2 2 384.487 3.611 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430879159 843128996 /nfs/dbraw/zinc/12/89/96/843128996.db2.gz RJGBQIHEOZIMCC-UHFFFAOYSA-N 2 2 384.487 3.611 20 0 GHADLP O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512284826 843318465 /nfs/dbraw/zinc/31/84/65/843318465.db2.gz DSPZQZIODVBQBZ-LADGPHEKSA-N 2 2 375.516 3.538 20 0 GHADLP O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512284826 843318473 /nfs/dbraw/zinc/31/84/73/843318473.db2.gz DSPZQZIODVBQBZ-LADGPHEKSA-N 2 2 375.516 3.538 20 0 GHADLP O=C1Nc2ccccc2CC[C@@H]1[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512284826 843318485 /nfs/dbraw/zinc/31/84/85/843318485.db2.gz DSPZQZIODVBQBZ-LADGPHEKSA-N 2 2 375.516 3.538 20 0 GHADLP O=C1Nc2ccccc2CC[C@@H]1[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512284826 843318494 /nfs/dbraw/zinc/31/84/94/843318494.db2.gz DSPZQZIODVBQBZ-LADGPHEKSA-N 2 2 375.516 3.538 20 0 GHADLP O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512284825 843318694 /nfs/dbraw/zinc/31/86/94/843318694.db2.gz DSPZQZIODVBQBZ-ISKFKSNPSA-N 2 2 375.516 3.538 20 0 GHADLP O=C1Nc2ccccc2CC[C@H]1[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512284825 843318704 /nfs/dbraw/zinc/31/87/04/843318704.db2.gz DSPZQZIODVBQBZ-ISKFKSNPSA-N 2 2 375.516 3.538 20 0 GHADLP O=C1Nc2ccccc2CC[C@H]1[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512284825 843318714 /nfs/dbraw/zinc/31/87/14/843318714.db2.gz DSPZQZIODVBQBZ-ISKFKSNPSA-N 2 2 375.516 3.538 20 0 GHADLP O=C1Nc2ccccc2CC[C@H]1[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512284825 843318721 /nfs/dbraw/zinc/31/87/21/843318721.db2.gz DSPZQZIODVBQBZ-ISKFKSNPSA-N 2 2 375.516 3.538 20 0 GHADLP [NH3+]CCC[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000418666376 843520414 /nfs/dbraw/zinc/52/04/14/843520414.db2.gz GFPVVUJMVOOFGT-OAQYLSRUSA-N 2 2 395.551 3.589 20 0 GHADLP CN(C(=O)Nc1cccnc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165548017 843554160 /nfs/dbraw/zinc/55/41/60/843554160.db2.gz AKHDMUZLKLYPSX-MSOLQXFVSA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1cccnc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165548017 843554170 /nfs/dbraw/zinc/55/41/70/843554170.db2.gz AKHDMUZLKLYPSX-MSOLQXFVSA-N 2 2 393.963 3.536 20 0 GHADLP C[N@H+](CCCCCc1cc(-c2ccccc2)no1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431087801 843581405 /nfs/dbraw/zinc/58/14/05/843581405.db2.gz BWCOWCRKUYDEQY-UHFFFAOYSA-N 2 2 383.496 3.763 20 0 GHADLP C[N@@H+](CCCCCc1cc(-c2ccccc2)no1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431087801 843581417 /nfs/dbraw/zinc/58/14/17/843581417.db2.gz BWCOWCRKUYDEQY-UHFFFAOYSA-N 2 2 383.496 3.763 20 0 GHADLP COCC[NH+](CCOC)C1CC[NH+]([C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000512826514 843815771 /nfs/dbraw/zinc/81/57/71/843815771.db2.gz FDOCYIYHNXRRME-INIZCTEOSA-N 2 2 388.474 3.826 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(Br)c1 ZINC000419288116 843876158 /nfs/dbraw/zinc/87/61/58/843876158.db2.gz HAZONDAMQLZVGQ-AWEZNQCLSA-N 2 2 394.357 3.691 20 0 GHADLP OCC1([C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c2ccccc2)CCC1 ZINC000433299916 843987755 /nfs/dbraw/zinc/98/77/55/843987755.db2.gz RWUKGXFHUNHWSF-ZEQRLZLVSA-N 2 2 394.559 3.771 20 0 GHADLP OCC1([C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ccccc2)CCC1 ZINC000433299916 843987757 /nfs/dbraw/zinc/98/77/57/843987757.db2.gz RWUKGXFHUNHWSF-ZEQRLZLVSA-N 2 2 394.559 3.771 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000152110395 844743076 /nfs/dbraw/zinc/74/30/76/844743076.db2.gz JPMSIBNECVJZMJ-KRWDZBQOSA-N 2 2 398.532 3.544 20 0 GHADLP C[N@H+](Cc1ccc(Br)cc1OC(F)(F)F)C1CC[NH+](C)CC1 ZINC001140511201 844834810 /nfs/dbraw/zinc/83/48/10/844834810.db2.gz LEGGKDADNBSNAS-UHFFFAOYSA-N 2 2 381.236 3.874 20 0 GHADLP C[N@@H+](Cc1ccc(Br)cc1OC(F)(F)F)C1CC[NH+](C)CC1 ZINC001140511201 844834816 /nfs/dbraw/zinc/83/48/16/844834816.db2.gz LEGGKDADNBSNAS-UHFFFAOYSA-N 2 2 381.236 3.874 20 0 GHADLP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000150199325 845605731 /nfs/dbraw/zinc/60/57/31/845605731.db2.gz CXXCUMWYYUJBNV-YRNVUSSQSA-N 2 2 389.543 3.754 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@H](C)CC2CCOCC2)[C@@H]1c1cnn(C)c1 ZINC000434015108 845729970 /nfs/dbraw/zinc/72/99/70/845729970.db2.gz BPVQHECQEFSUTC-KAGYGMCKSA-N 2 2 376.589 3.578 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@H](C)CC2CCOCC2)[C@@H]1c1cnn(C)c1 ZINC000434015108 845729976 /nfs/dbraw/zinc/72/99/76/845729976.db2.gz BPVQHECQEFSUTC-KAGYGMCKSA-N 2 2 376.589 3.578 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@H](C)CC2CCOCC2)[C@@H]1c1cnn(C)c1 ZINC000434015108 845729984 /nfs/dbraw/zinc/72/99/84/845729984.db2.gz BPVQHECQEFSUTC-KAGYGMCKSA-N 2 2 376.589 3.578 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@H](C)CC2CCOCC2)[C@@H]1c1cnn(C)c1 ZINC000434015108 845729991 /nfs/dbraw/zinc/72/99/91/845729991.db2.gz BPVQHECQEFSUTC-KAGYGMCKSA-N 2 2 376.589 3.578 20 0 GHADLP C[N@@H+]1CCO[C@@H]([C@H](NC2CC[NH+](C3CCCC3)CC2)c2ccc(Cl)cc2)C1 ZINC000179556322 861631560 /nfs/dbraw/zinc/63/15/60/861631560.db2.gz YQKLPSAGHVLBBP-FGZHOGPDSA-N 2 2 391.987 3.708 20 0 GHADLP C[N@H+]1CCO[C@@H]([C@H](NC2CC[NH+](C3CCCC3)CC2)c2ccc(Cl)cc2)C1 ZINC000179556322 861631565 /nfs/dbraw/zinc/63/15/65/861631565.db2.gz YQKLPSAGHVLBBP-FGZHOGPDSA-N 2 2 391.987 3.708 20 0 GHADLP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000280130144 846308807 /nfs/dbraw/zinc/30/88/07/846308807.db2.gz ZDGPVVYEKDYSLV-GMAHTHKFSA-N 2 2 386.499 3.688 20 0 GHADLP Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000280130144 846308812 /nfs/dbraw/zinc/30/88/12/846308812.db2.gz ZDGPVVYEKDYSLV-GMAHTHKFSA-N 2 2 386.499 3.688 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cnn(C2CCCC2)c1 ZINC000502723848 846399479 /nfs/dbraw/zinc/39/94/79/846399479.db2.gz RPXVZMWFCYLPGR-IBGZPJMESA-N 2 2 398.551 3.560 20 0 GHADLP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000684767776 846448759 /nfs/dbraw/zinc/44/87/59/846448759.db2.gz RXKYUYRSWPNECU-BHIFYINESA-N 2 2 383.580 3.810 20 0 GHADLP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000684767776 846448767 /nfs/dbraw/zinc/44/87/67/846448767.db2.gz RXKYUYRSWPNECU-BHIFYINESA-N 2 2 383.580 3.810 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccccc1 ZINC000673769410 861688944 /nfs/dbraw/zinc/68/89/44/861688944.db2.gz UQOKEICWLFMEFQ-NRFANRHFSA-N 2 2 393.535 3.568 20 0 GHADLP C[NH+](C)CCOc1ccccc1-c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000582206628 846641812 /nfs/dbraw/zinc/64/18/12/846641812.db2.gz OAWRBPLIADCNBH-UHFFFAOYSA-N 2 2 375.432 3.530 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000422009380 846747727 /nfs/dbraw/zinc/74/77/27/846747727.db2.gz AUNYWBKXOJMBDE-XZOQPEGZSA-N 2 2 383.580 3.589 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000422009380 846747734 /nfs/dbraw/zinc/74/77/34/846747734.db2.gz AUNYWBKXOJMBDE-XZOQPEGZSA-N 2 2 383.580 3.589 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(-c2ccccc2)on1 ZINC000503122377 846816231 /nfs/dbraw/zinc/81/62/31/846816231.db2.gz QZSZOQDMAOMCLR-UHFFFAOYSA-N 3 2 396.579 3.970 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(-c2ccccc2)on1 ZINC000503122377 846816238 /nfs/dbraw/zinc/81/62/38/846816238.db2.gz QZSZOQDMAOMCLR-UHFFFAOYSA-N 3 2 396.579 3.970 20 0 GHADLP CCCC[C@H]1CCC[C@@H]1NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422153223 846858425 /nfs/dbraw/zinc/85/84/25/846858425.db2.gz IVTHQIVAYDDREF-FPOVZHCZSA-N 2 2 378.605 3.547 20 0 GHADLP CCCC[C@H]1CCC[C@@H]1NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422153223 846858430 /nfs/dbraw/zinc/85/84/30/846858430.db2.gz IVTHQIVAYDDREF-FPOVZHCZSA-N 2 2 378.605 3.547 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000422153856 846859758 /nfs/dbraw/zinc/85/97/58/846859758.db2.gz BUSISWGCQPPKMG-DHIUTWEWSA-N 2 2 398.595 3.524 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000422153856 846859763 /nfs/dbraw/zinc/85/97/63/846859763.db2.gz BUSISWGCQPPKMG-DHIUTWEWSA-N 2 2 398.595 3.524 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000422153861 846860038 /nfs/dbraw/zinc/86/00/38/846860038.db2.gz BUSISWGCQPPKMG-XZOQPEGZSA-N 2 2 398.595 3.524 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000422153861 846860048 /nfs/dbraw/zinc/86/00/48/846860048.db2.gz BUSISWGCQPPKMG-XZOQPEGZSA-N 2 2 398.595 3.524 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)c3c(C)cccc3C)CC2)CC1 ZINC000422187655 846890415 /nfs/dbraw/zinc/89/04/15/846890415.db2.gz RTHBZNMEHVIQGP-FQEVSTJZSA-N 2 2 386.584 3.566 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)c3c(C)cccc3C)CC2)CC1 ZINC000422187655 846890420 /nfs/dbraw/zinc/89/04/20/846890420.db2.gz RTHBZNMEHVIQGP-FQEVSTJZSA-N 2 2 386.584 3.566 20 0 GHADLP Clc1cc(I)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000501406631 846909441 /nfs/dbraw/zinc/90/94/41/846909441.db2.gz OSIUAACJDMSMIR-UONOGXRCSA-N 2 2 390.696 3.661 20 0 GHADLP Clc1cc(I)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000501406631 846909445 /nfs/dbraw/zinc/90/94/45/846909445.db2.gz OSIUAACJDMSMIR-UONOGXRCSA-N 2 2 390.696 3.661 20 0 GHADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000158455487 846972575 /nfs/dbraw/zinc/97/25/75/846972575.db2.gz DPYDHMRILIYOCG-MRXNPFEDSA-N 2 2 390.478 3.594 20 0 GHADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)C1CCCCC1 ZINC000420354192 847135094 /nfs/dbraw/zinc/13/50/94/847135094.db2.gz CLWIJEXHXHIRFQ-OAHLLOKOSA-N 2 2 388.737 3.538 20 0 GHADLP [NH3+]C[C@@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)C1CCCCC1 ZINC000420380270 847148549 /nfs/dbraw/zinc/14/85/49/847148549.db2.gz YHKZLVOXOWUEAA-GOSISDBHSA-N 2 2 389.341 3.903 20 0 GHADLP CN(C(=O)c1cc2cc(Cl)ccc2s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668616924 847278773 /nfs/dbraw/zinc/27/87/73/847278773.db2.gz HOAYWDWVTYZITI-KRWDZBQOSA-N 2 2 391.968 3.795 20 0 GHADLP CN(C(=O)c1cc2cc(Cl)ccc2s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668616924 847278785 /nfs/dbraw/zinc/27/87/85/847278785.db2.gz HOAYWDWVTYZITI-KRWDZBQOSA-N 2 2 391.968 3.795 20 0 GHADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000273487718 847353171 /nfs/dbraw/zinc/35/31/71/847353171.db2.gz VZJFWMBQPOYLFN-QGZVFWFLSA-N 2 2 393.535 3.796 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000420978694 847605638 /nfs/dbraw/zinc/60/56/38/847605638.db2.gz UJSGYUGGYKMCLW-GOSISDBHSA-N 2 2 394.494 3.694 20 0 GHADLP COc1cc(C)c(C[C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000502271059 847674006 /nfs/dbraw/zinc/67/40/06/847674006.db2.gz DXOGZBVRQZMZEZ-IBGZPJMESA-N 2 2 398.547 3.565 20 0 GHADLP O=C1[C@H]([N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCN1c1cccc(Cl)c1 ZINC000503436045 847693508 /nfs/dbraw/zinc/69/35/08/847693508.db2.gz BURJNCDDLCIADX-OXJNMPFZSA-N 2 2 398.938 3.858 20 0 GHADLP O=C1[C@H]([N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCN1c1cccc(Cl)c1 ZINC000503436045 847693512 /nfs/dbraw/zinc/69/35/12/847693512.db2.gz BURJNCDDLCIADX-OXJNMPFZSA-N 2 2 398.938 3.858 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422899820 847877842 /nfs/dbraw/zinc/87/78/42/847877842.db2.gz PGVLCKHSZIFRRZ-VSDWSMLSSA-N 2 2 383.511 3.744 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC[N@@H+]1C ZINC000179904121 861840384 /nfs/dbraw/zinc/84/03/84/861840384.db2.gz RUSDMCNNDCTOCB-KBXCAEBGSA-N 2 2 377.330 3.549 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC[N@H+]1C ZINC000179904121 861840404 /nfs/dbraw/zinc/84/04/04/861840404.db2.gz RUSDMCNNDCTOCB-KBXCAEBGSA-N 2 2 377.330 3.549 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC[NH+]1C ZINC000179904121 861840421 /nfs/dbraw/zinc/84/04/21/861840421.db2.gz RUSDMCNNDCTOCB-KBXCAEBGSA-N 2 2 377.330 3.549 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC[NH+]1C ZINC000179904121 861840438 /nfs/dbraw/zinc/84/04/38/861840438.db2.gz RUSDMCNNDCTOCB-KBXCAEBGSA-N 2 2 377.330 3.549 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000422943956 847907854 /nfs/dbraw/zinc/90/78/54/847907854.db2.gz LSLHTQTZOYGRRS-GCYXNMHMSA-N 3 2 393.575 3.879 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000422943956 847907860 /nfs/dbraw/zinc/90/78/60/847907860.db2.gz LSLHTQTZOYGRRS-GCYXNMHMSA-N 3 2 393.575 3.879 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000422943956 847907863 /nfs/dbraw/zinc/90/78/63/847907863.db2.gz LSLHTQTZOYGRRS-GCYXNMHMSA-N 2 2 393.575 3.879 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000422943956 847907871 /nfs/dbraw/zinc/90/78/71/847907871.db2.gz LSLHTQTZOYGRRS-GCYXNMHMSA-N 2 2 393.575 3.879 20 0 GHADLP Fc1ccccc1-c1n[nH]cc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192357318 861927496 /nfs/dbraw/zinc/92/74/96/861927496.db2.gz CMXLQJKGSWSNIQ-HXUWFJFHSA-N 2 2 394.494 3.597 20 0 GHADLP Fc1ccccc1-c1n[nH]cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192357318 861927504 /nfs/dbraw/zinc/92/75/04/861927504.db2.gz CMXLQJKGSWSNIQ-HXUWFJFHSA-N 2 2 394.494 3.597 20 0 GHADLP FC(F)Oc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192355644 861928419 /nfs/dbraw/zinc/92/84/19/861928419.db2.gz JDTAQPNALHTOGR-FQEVSTJZSA-N 2 2 376.447 3.669 20 0 GHADLP FC(F)Oc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192355644 861928433 /nfs/dbraw/zinc/92/84/33/861928433.db2.gz JDTAQPNALHTOGR-FQEVSTJZSA-N 2 2 376.447 3.669 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1nnc2n1CCCCC2 ZINC000582940829 848727915 /nfs/dbraw/zinc/72/79/15/848727915.db2.gz HXQDCGMUDGTFJT-PKOBYXMFSA-N 2 2 395.551 3.643 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cnc2ccsc2c1 ZINC000162036676 848797480 /nfs/dbraw/zinc/79/74/80/848797480.db2.gz RYCBKOBDMKPZMH-KRWDZBQOSA-N 2 2 397.544 3.858 20 0 GHADLP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000604206861 861946849 /nfs/dbraw/zinc/94/68/49/861946849.db2.gz WWCYFQDTMYKBJA-UXHICEINSA-N 2 2 381.524 3.526 20 0 GHADLP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000583292822 849559909 /nfs/dbraw/zinc/55/99/09/849559909.db2.gz FGWIFFWKXFEJPL-YLJYHZDGSA-N 2 2 377.492 3.851 20 0 GHADLP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000583292822 849559914 /nfs/dbraw/zinc/55/99/14/849559914.db2.gz FGWIFFWKXFEJPL-YLJYHZDGSA-N 2 2 377.492 3.851 20 0 GHADLP C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434758457 849746007 /nfs/dbraw/zinc/74/60/07/849746007.db2.gz STHTUIUONRKQLC-SFHVURJKSA-N 2 2 392.547 3.767 20 0 GHADLP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)C2)cc1F ZINC000503895148 849747635 /nfs/dbraw/zinc/74/76/35/849747635.db2.gz VCTANCZOCSUVAU-JXYHXMIBSA-N 2 2 383.511 3.976 20 0 GHADLP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)C2)cc1F ZINC000503895148 849747643 /nfs/dbraw/zinc/74/76/43/849747643.db2.gz VCTANCZOCSUVAU-JXYHXMIBSA-N 2 2 383.511 3.976 20 0 GHADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425180654 849751747 /nfs/dbraw/zinc/75/17/47/849751747.db2.gz TXUIFUWAXQYFOG-PWRODBHTSA-N 2 2 382.552 3.949 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000423320608 849855874 /nfs/dbraw/zinc/85/58/74/849855874.db2.gz DOFRRHGWSMEGRG-IMRHEYAYSA-N 2 2 384.520 3.517 20 0 GHADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000423405180 849910407 /nfs/dbraw/zinc/91/04/07/849910407.db2.gz ZQANQPDBSGGQPI-SFGWALBWSA-N 2 2 386.561 3.526 20 0 GHADLP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000423829865 850078586 /nfs/dbraw/zinc/07/85/86/850078586.db2.gz PNZZKBZGJFLVRP-RQUSPXKASA-N 2 2 375.875 3.674 20 0 GHADLP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000423829865 850078596 /nfs/dbraw/zinc/07/85/96/850078596.db2.gz PNZZKBZGJFLVRP-RQUSPXKASA-N 2 2 375.875 3.674 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000425294212 850177732 /nfs/dbraw/zinc/17/77/32/850177732.db2.gz CZCDYRIBTHQOMZ-NHCUHLMSSA-N 2 2 380.536 3.845 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000425294212 850177737 /nfs/dbraw/zinc/17/77/37/850177737.db2.gz CZCDYRIBTHQOMZ-NHCUHLMSSA-N 2 2 380.536 3.845 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000425294213 850178052 /nfs/dbraw/zinc/17/80/52/850178052.db2.gz CZCDYRIBTHQOMZ-RTWAWAEBSA-N 2 2 380.536 3.845 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000425294213 850178055 /nfs/dbraw/zinc/17/80/55/850178055.db2.gz CZCDYRIBTHQOMZ-RTWAWAEBSA-N 2 2 380.536 3.845 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000486939568 850264216 /nfs/dbraw/zinc/26/42/16/850264216.db2.gz PHPRJAZFZJMZTB-OAHLLOKOSA-N 2 2 391.357 3.704 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000486939568 850264230 /nfs/dbraw/zinc/26/42/30/850264230.db2.gz PHPRJAZFZJMZTB-OAHLLOKOSA-N 2 2 391.357 3.704 20 0 GHADLP COC(=O)CC1CC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000424359240 850390253 /nfs/dbraw/zinc/39/02/53/850390253.db2.gz YDDGHPWVEWVWLW-RRIAHRGQSA-N 2 2 378.516 3.586 20 0 GHADLP COC(=O)CC1CC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000424359240 850390260 /nfs/dbraw/zinc/39/02/60/850390260.db2.gz YDDGHPWVEWVWLW-RRIAHRGQSA-N 2 2 378.516 3.586 20 0 GHADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Br)ccc1OCc1ccccn1 ZINC000435374417 850423157 /nfs/dbraw/zinc/42/31/57/850423157.db2.gz ITKNSALEMHTLKT-HUUCEWRRSA-N 2 2 390.325 3.592 20 0 GHADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Br)ccc1OCc1ccccn1 ZINC000435374417 850423162 /nfs/dbraw/zinc/42/31/62/850423162.db2.gz ITKNSALEMHTLKT-HUUCEWRRSA-N 2 2 390.325 3.592 20 0 GHADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH+]1CCC([NH3+])CC1 ZINC000435368801 850434054 /nfs/dbraw/zinc/43/40/54/850434054.db2.gz CCWUDTKPLRJBPY-UHFFFAOYSA-N 2 2 377.330 3.681 20 0 GHADLP C[N@H+](Cc1cc(Br)ccc1OCc1ccccn1)C1CC[NH2+]CC1 ZINC000435377912 850443536 /nfs/dbraw/zinc/44/35/36/850443536.db2.gz BDFYOJNKLSEWGS-UHFFFAOYSA-N 2 2 390.325 3.607 20 0 GHADLP C[N@@H+](Cc1cc(Br)ccc1OCc1ccccn1)C1CC[NH2+]CC1 ZINC000435377912 850443543 /nfs/dbraw/zinc/44/35/43/850443543.db2.gz BDFYOJNKLSEWGS-UHFFFAOYSA-N 2 2 390.325 3.607 20 0 GHADLP CC(C)n1ncc2cc(C[N@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)cnc21 ZINC000435388121 850453830 /nfs/dbraw/zinc/45/38/30/850453830.db2.gz CXNKVGRZZPWUMZ-NRFANRHFSA-N 2 2 378.524 3.552 20 0 GHADLP CC(C)n1ncc2cc(C[N@@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)cnc21 ZINC000435388121 850453841 /nfs/dbraw/zinc/45/38/41/850453841.db2.gz CXNKVGRZZPWUMZ-NRFANRHFSA-N 2 2 378.524 3.552 20 0 GHADLP CCCOc1cccc(C[N@H+](Cc2nccn2CC)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435436966 850525812 /nfs/dbraw/zinc/52/58/12/850525812.db2.gz HSGYXFZTVKGYMJ-NRFANRHFSA-N 2 2 382.552 3.836 20 0 GHADLP CCCOc1cccc(C[N@@H+](Cc2nccn2CC)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435436966 850525822 /nfs/dbraw/zinc/52/58/22/850525822.db2.gz HSGYXFZTVKGYMJ-NRFANRHFSA-N 2 2 382.552 3.836 20 0 GHADLP Cc1ncsc1C[N@@H+](Cc1ccc(Br)cc1)C[C@H]1CC[NH2+]C1 ZINC000435445235 850534429 /nfs/dbraw/zinc/53/44/29/850534429.db2.gz DKNHKOQFIVMVFW-HNNXBMFYSA-N 2 2 380.355 3.826 20 0 GHADLP Cc1ncsc1C[N@H+](Cc1ccc(Br)cc1)C[C@H]1CC[NH2+]C1 ZINC000435445235 850534437 /nfs/dbraw/zinc/53/44/37/850534437.db2.gz DKNHKOQFIVMVFW-HNNXBMFYSA-N 2 2 380.355 3.826 20 0 GHADLP Cc1ncsc1C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435448496 850537046 /nfs/dbraw/zinc/53/70/46/850537046.db2.gz WXZVRCWNRHISTR-OAHLLOKOSA-N 2 2 385.455 3.962 20 0 GHADLP Cc1ncsc1C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435448496 850537052 /nfs/dbraw/zinc/53/70/52/850537052.db2.gz WXZVRCWNRHISTR-OAHLLOKOSA-N 2 2 385.455 3.962 20 0 GHADLP COc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc(Br)c1OCc1ccccc1 ZINC000415007375 850656173 /nfs/dbraw/zinc/65/61/73/850656173.db2.gz CRCNLNJTDTVUSR-UONOGXRCSA-N 2 2 393.325 3.862 20 0 GHADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414871862 850723979 /nfs/dbraw/zinc/72/39/79/850723979.db2.gz FBSOGKWIXNSNFL-UHFFFAOYSA-N 2 2 397.954 3.866 20 0 GHADLP [NH3+]C1(CNC2CC[NH+](Cc3ccccc3Br)CC2)CCCCC1 ZINC000414842884 850961821 /nfs/dbraw/zinc/96/18/21/850961821.db2.gz NGNKMGOBLYJFKJ-UHFFFAOYSA-N 2 2 380.374 3.665 20 0 GHADLP COC(=O)[C@H](CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000425444818 851096487 /nfs/dbraw/zinc/09/64/87/851096487.db2.gz OEFHEADMBXHQHP-TZIWHRDSSA-N 2 2 381.520 3.746 20 0 GHADLP COC(=O)[C@H](CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000425444818 851096502 /nfs/dbraw/zinc/09/65/02/851096502.db2.gz OEFHEADMBXHQHP-TZIWHRDSSA-N 2 2 381.520 3.746 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000515555050 851167911 /nfs/dbraw/zinc/16/79/11/851167911.db2.gz MMAJPNGPUDZKSH-WMZHIEFXSA-N 2 2 395.522 3.868 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000515555050 851167920 /nfs/dbraw/zinc/16/79/20/851167920.db2.gz MMAJPNGPUDZKSH-WMZHIEFXSA-N 2 2 395.522 3.868 20 0 GHADLP CC1CCC(N(C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C2CC2)CC1 ZINC000434673321 851466886 /nfs/dbraw/zinc/46/68/86/851466886.db2.gz DQYLKAIAWNLUNB-UHFFFAOYSA-N 2 2 398.595 3.969 20 0 GHADLP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434690901 851481076 /nfs/dbraw/zinc/48/10/76/851481076.db2.gz LHPIYHZYKMUWFD-SFHVURJKSA-N 2 2 380.536 3.618 20 0 GHADLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1sccc1Br ZINC000531938373 851500933 /nfs/dbraw/zinc/50/09/33/851500933.db2.gz WYACVHSXAREFFI-CYBMUJFWSA-N 2 2 395.370 3.508 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc2c(c1)CCCC2 ZINC000111244161 851581252 /nfs/dbraw/zinc/58/12/52/851581252.db2.gz FRYNAKASOXFUEC-ROUUACIJSA-N 2 2 380.536 3.665 20 0 GHADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc2c(c1)CCCC2 ZINC000111244164 851581536 /nfs/dbraw/zinc/58/15/36/851581536.db2.gz FRYNAKASOXFUEC-MSOLQXFVSA-N 2 2 380.536 3.665 20 0 GHADLP Cc1cc(C)cc(OC[C@@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000440453585 851588212 /nfs/dbraw/zinc/58/82/12/851588212.db2.gz QSUPPFVGFSRBMQ-QHCPKHFHSA-N 2 2 382.548 3.640 20 0 GHADLP Cc1cc(C)cc(OC[C@@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000440453585 851588217 /nfs/dbraw/zinc/58/82/17/851588217.db2.gz QSUPPFVGFSRBMQ-QHCPKHFHSA-N 2 2 382.548 3.640 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1ccccc1Br)c1cccc(-n2cc[nH+]c2)c1 ZINC000180670437 862276511 /nfs/dbraw/zinc/27/65/11/862276511.db2.gz AAKNDLCXVWDBDA-AWEZNQCLSA-N 2 2 399.292 3.924 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC[C@@H]21 ZINC000180733048 862303971 /nfs/dbraw/zinc/30/39/71/862303971.db2.gz FVBDCPIKASUDLX-OFNKIYASSA-N 2 2 387.531 3.850 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC[C@@H]21 ZINC000180733048 862303986 /nfs/dbraw/zinc/30/39/86/862303986.db2.gz FVBDCPIKASUDLX-OFNKIYASSA-N 2 2 387.531 3.850 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC[C@@H]21 ZINC000180733048 862303994 /nfs/dbraw/zinc/30/39/94/862303994.db2.gz FVBDCPIKASUDLX-OFNKIYASSA-N 2 2 387.531 3.850 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC[C@@H]21 ZINC000180733048 862304009 /nfs/dbraw/zinc/30/40/09/862304009.db2.gz FVBDCPIKASUDLX-OFNKIYASSA-N 2 2 387.531 3.850 20 0 GHADLP FC(F)(F)c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1Cl ZINC000506892691 852315611 /nfs/dbraw/zinc/31/56/11/852315611.db2.gz RIPBMTCXZZJQAH-UHFFFAOYSA-N 2 2 376.850 3.903 20 0 GHADLP C[C@H](NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)C1=CC[N@H+](C)CC1 ZINC000425669594 852587872 /nfs/dbraw/zinc/58/78/72/852587872.db2.gz CZAVAYGTTRKMJX-INIZCTEOSA-N 2 2 379.508 3.658 20 0 GHADLP C[C@H](NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)C1=CC[N@@H+](C)CC1 ZINC000425669594 852587876 /nfs/dbraw/zinc/58/78/76/852587876.db2.gz CZAVAYGTTRKMJX-INIZCTEOSA-N 2 2 379.508 3.658 20 0 GHADLP CN(CCC[NH+]1CCCC1)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425671635 852593417 /nfs/dbraw/zinc/59/34/17/852593417.db2.gz IRETVGHDXGDZBP-UHFFFAOYSA-N 2 2 381.524 3.836 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C2(C[NH+](C)C)CCCCC2)c(C)c1 ZINC000426978071 852602755 /nfs/dbraw/zinc/60/27/55/852602755.db2.gz PESCZUPAEOTZHO-OAQYLSRUSA-N 2 2 382.552 3.870 20 0 GHADLP CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000517956795 852657780 /nfs/dbraw/zinc/65/77/80/852657780.db2.gz JFBCVNHJNLXBKG-PGRDOPGGSA-N 2 2 383.536 3.557 20 0 GHADLP CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000517956795 852657785 /nfs/dbraw/zinc/65/77/85/852657785.db2.gz JFBCVNHJNLXBKG-PGRDOPGGSA-N 2 2 383.536 3.557 20 0 GHADLP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000517956795 852657790 /nfs/dbraw/zinc/65/77/90/852657790.db2.gz JFBCVNHJNLXBKG-PGRDOPGGSA-N 2 2 383.536 3.557 20 0 GHADLP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000517956795 852657794 /nfs/dbraw/zinc/65/77/94/852657794.db2.gz JFBCVNHJNLXBKG-PGRDOPGGSA-N 2 2 383.536 3.557 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000437043269 852663674 /nfs/dbraw/zinc/66/36/74/852663674.db2.gz UOWPMEAENQHBPG-QFIPXVFZSA-N 2 2 386.584 3.657 20 0 GHADLP C[C@H](c1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000518025405 852748450 /nfs/dbraw/zinc/74/84/50/852748450.db2.gz JZQVIZULPORUKU-AUSIDOKSSA-N 2 2 393.531 3.683 20 0 GHADLP C[C@H](c1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000518025405 852748454 /nfs/dbraw/zinc/74/84/54/852748454.db2.gz JZQVIZULPORUKU-AUSIDOKSSA-N 2 2 393.531 3.683 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000438834512 852945751 /nfs/dbraw/zinc/94/57/51/852945751.db2.gz UBXJUUHSGNSYKB-UHFFFAOYSA-N 2 2 387.612 3.746 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000438834512 852945755 /nfs/dbraw/zinc/94/57/55/852945755.db2.gz UBXJUUHSGNSYKB-UHFFFAOYSA-N 2 2 387.612 3.746 20 0 GHADLP C[C@H](CCNC(=O)Cc1c[nH+]cn1Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000518265029 853135114 /nfs/dbraw/zinc/13/51/14/853135114.db2.gz LSZGSQMOHUBBKW-HXUWFJFHSA-N 2 2 390.531 3.501 20 0 GHADLP C[C@H](CCNC(=O)Cc1c[nH+]cn1Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000518265029 853135123 /nfs/dbraw/zinc/13/51/23/853135123.db2.gz LSZGSQMOHUBBKW-HXUWFJFHSA-N 2 2 390.531 3.501 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Br)nc1 ZINC000289939721 853187869 /nfs/dbraw/zinc/18/78/69/853187869.db2.gz WBEAVULEHYCKPN-HNNXBMFYSA-N 2 2 390.325 3.527 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506474981 853226722 /nfs/dbraw/zinc/22/67/22/853226722.db2.gz REEXAICEPXMADR-FKBYEOEOSA-N 2 2 385.596 3.928 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506474981 853226734 /nfs/dbraw/zinc/22/67/34/853226734.db2.gz REEXAICEPXMADR-FKBYEOEOSA-N 2 2 385.596 3.928 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506474981 853226738 /nfs/dbraw/zinc/22/67/38/853226738.db2.gz REEXAICEPXMADR-FKBYEOEOSA-N 2 2 385.596 3.928 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506474981 853226744 /nfs/dbraw/zinc/22/67/44/853226744.db2.gz REEXAICEPXMADR-FKBYEOEOSA-N 2 2 385.596 3.928 20 0 GHADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439060888 853228396 /nfs/dbraw/zinc/22/83/96/853228396.db2.gz KTULOIXYFYMUBZ-IEBWSBKVSA-N 2 2 393.535 3.977 20 0 GHADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439060888 853228404 /nfs/dbraw/zinc/22/84/04/853228404.db2.gz KTULOIXYFYMUBZ-IEBWSBKVSA-N 2 2 393.535 3.977 20 0 GHADLP [NH3+][C@@H](CCC(=O)NCCc1[nH+]ccn1Cc1ccccc1)CC1CCCCC1 ZINC000518368779 853266915 /nfs/dbraw/zinc/26/69/15/853266915.db2.gz KGGSIPWBELIWDD-NRFANRHFSA-N 2 2 382.552 3.668 20 0 GHADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000414981719 853299883 /nfs/dbraw/zinc/29/98/83/853299883.db2.gz RDRXKVWMSMHJBP-MRXNPFEDSA-N 2 2 393.325 3.864 20 0 GHADLP CC[N@H+](CCCNC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCCCC1 ZINC000652756332 853319361 /nfs/dbraw/zinc/31/93/61/853319361.db2.gz BNLPNQPLZATZJG-UHFFFAOYSA-N 2 2 382.552 3.635 20 0 GHADLP CC[N@@H+](CCCNC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CCCCC1 ZINC000652756332 853319366 /nfs/dbraw/zinc/31/93/66/853319366.db2.gz BNLPNQPLZATZJG-UHFFFAOYSA-N 2 2 382.552 3.635 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=S)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000732721815 862452703 /nfs/dbraw/zinc/45/27/03/862452703.db2.gz VSFSNRIJFSFYAH-LJQANCHMSA-N 2 2 394.588 3.809 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=S)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000732721815 862452707 /nfs/dbraw/zinc/45/27/07/862452707.db2.gz VSFSNRIJFSFYAH-LJQANCHMSA-N 2 2 394.588 3.809 20 0 GHADLP CC(C)[C@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)[NH+]1CCCCCC1 ZINC000518465594 853380187 /nfs/dbraw/zinc/38/01/87/853380187.db2.gz QAZSLWHXHSIJLH-NRFANRHFSA-N 2 2 383.540 3.572 20 0 GHADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(F)cc1C(F)(F)F ZINC000623875274 862475860 /nfs/dbraw/zinc/47/58/60/862475860.db2.gz BYFUVHWWOCWMLM-AWEZNQCLSA-N 2 2 396.432 3.842 20 0 GHADLP C[NH+](C)CCC[C@@H]1CN(c2cc[nH+]c3c(Br)cccc23)CCO1 ZINC000664653989 853495078 /nfs/dbraw/zinc/49/50/78/853495078.db2.gz QOVLZCRWCPJYAH-CQSZACIVSA-N 2 2 378.314 3.544 20 0 GHADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426335831 853501208 /nfs/dbraw/zinc/50/12/08/853501208.db2.gz QSEXNKKYWHWMLX-OSZJIOELSA-N 2 2 395.551 3.674 20 0 GHADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426335831 853501217 /nfs/dbraw/zinc/50/12/17/853501217.db2.gz QSEXNKKYWHWMLX-OSZJIOELSA-N 2 2 395.551 3.674 20 0 GHADLP O=C(Nc1ccccc1)C1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000517235401 853543992 /nfs/dbraw/zinc/54/39/92/853543992.db2.gz KIHOTZNGWIRYLJ-NRFANRHFSA-N 2 2 375.516 3.945 20 0 GHADLP O=C(Nc1ccccc1)C1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000517235401 853544001 /nfs/dbraw/zinc/54/40/01/853544001.db2.gz KIHOTZNGWIRYLJ-NRFANRHFSA-N 2 2 375.516 3.945 20 0 GHADLP CCC(CC)[C@@H](CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)[NH+]1CCCC1 ZINC000519921985 853623433 /nfs/dbraw/zinc/62/34/33/853623433.db2.gz TZIZGTKWYWTELD-HXUWFJFHSA-N 2 2 390.572 3.749 20 0 GHADLP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000415969653 853678945 /nfs/dbraw/zinc/67/89/45/853678945.db2.gz YRXLFQKTPSZCII-RBUKOAKNSA-N 2 2 390.890 3.765 20 0 GHADLP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000415969653 853678949 /nfs/dbraw/zinc/67/89/49/853678949.db2.gz YRXLFQKTPSZCII-RBUKOAKNSA-N 2 2 390.890 3.765 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NCc2cccs2)c(C)c1 ZINC000441376385 854160432 /nfs/dbraw/zinc/16/04/32/854160432.db2.gz JXZRMWATRVDFCA-FXAWDEMLSA-N 2 2 382.533 3.597 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NCc2cccs2)c(C)c1 ZINC000441376389 854160520 /nfs/dbraw/zinc/16/05/20/854160520.db2.gz JXZRMWATRVDFCA-PXNSSMCTSA-N 2 2 382.533 3.597 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c(C)c1 ZINC000441390988 854173281 /nfs/dbraw/zinc/17/32/81/854173281.db2.gz ZRSJBLIWHAENFZ-UGKGYDQZSA-N 2 2 376.504 3.536 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c(C)c1 ZINC000441390987 854173417 /nfs/dbraw/zinc/17/34/17/854173417.db2.gz ZRSJBLIWHAENFZ-SIKLNZKXSA-N 2 2 376.504 3.536 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000441392111 854174491 /nfs/dbraw/zinc/17/44/91/854174491.db2.gz COCXUKVBAIQRQJ-ANJVHQHFSA-N 2 2 395.591 3.691 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000441392111 854174493 /nfs/dbraw/zinc/17/44/93/854174493.db2.gz COCXUKVBAIQRQJ-ANJVHQHFSA-N 2 2 395.591 3.691 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000441392111 854174496 /nfs/dbraw/zinc/17/44/96/854174496.db2.gz COCXUKVBAIQRQJ-ANJVHQHFSA-N 2 2 395.591 3.691 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000441392111 854174500 /nfs/dbraw/zinc/17/45/00/854174500.db2.gz COCXUKVBAIQRQJ-ANJVHQHFSA-N 2 2 395.591 3.691 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000441413776 854192075 /nfs/dbraw/zinc/19/20/75/854192075.db2.gz ZIWLUIJHNOWWHQ-WTOYTKOKSA-N 2 2 385.527 3.578 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000441413776 854192080 /nfs/dbraw/zinc/19/20/80/854192080.db2.gz ZIWLUIJHNOWWHQ-WTOYTKOKSA-N 2 2 385.527 3.578 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000441413776 854192084 /nfs/dbraw/zinc/19/20/84/854192084.db2.gz ZIWLUIJHNOWWHQ-WTOYTKOKSA-N 2 2 385.527 3.578 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000441413776 854192088 /nfs/dbraw/zinc/19/20/88/854192088.db2.gz ZIWLUIJHNOWWHQ-WTOYTKOKSA-N 2 2 385.527 3.578 20 0 GHADLP CN(C(=O)C1CC(C(C)(C)C)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001128011830 854824048 /nfs/dbraw/zinc/82/40/48/854824048.db2.gz SXHLZENHMLXYDX-FMFRFZGHSA-N 2 2 377.617 3.854 20 0 GHADLP CN(C(=O)C1CC(C(C)(C)C)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001128011830 854824052 /nfs/dbraw/zinc/82/40/52/854824052.db2.gz SXHLZENHMLXYDX-FMFRFZGHSA-N 2 2 377.617 3.854 20 0 GHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765792920 854827294 /nfs/dbraw/zinc/82/72/94/854827294.db2.gz USUJBBCVJWADOY-DOPJRALCSA-N 2 2 375.513 3.771 20 0 GHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000765792920 854827300 /nfs/dbraw/zinc/82/73/00/854827300.db2.gz USUJBBCVJWADOY-DOPJRALCSA-N 2 2 375.513 3.771 20 0 GHADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000921686793 855332637 /nfs/dbraw/zinc/33/26/37/855332637.db2.gz YLTYPBXBMUQCOT-RBUKOAKNSA-N 2 2 397.604 3.501 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NC3[C@@H](C)C[NH+](Cc4ccccc4)C[C@@H]3C)ccn12 ZINC000572973526 855448102 /nfs/dbraw/zinc/44/81/02/855448102.db2.gz ZXFGYWQXWDPSRP-IRXDYDNUSA-N 2 2 376.504 3.529 20 0 GHADLP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c2ccccc2)CC1 ZINC000520502921 855546018 /nfs/dbraw/zinc/54/60/18/855546018.db2.gz RHOBYUZJQKJGFO-MOPGFXCFSA-N 2 2 389.465 3.670 20 0 GHADLP OCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000624290185 855985123 /nfs/dbraw/zinc/98/51/23/855985123.db2.gz XANODJXPZLUCHZ-RBUKOAKNSA-N 2 2 387.351 3.650 20 0 GHADLP [NH3+][C@H]1CC[C@H](N(Cc2ccc(Oc3cnccn3)cc2)c2cccc[nH+]2)CC1 ZINC000895110479 856097740 /nfs/dbraw/zinc/09/77/40/856097740.db2.gz MYHSEUNDJMPPGH-WGSAOQKQSA-N 2 2 375.476 3.940 20 0 GHADLP COC1CC[NH+](CCNc2cc(C)[nH+]c3c(OC(F)(F)F)cccc23)CC1 ZINC000674332107 856190450 /nfs/dbraw/zinc/19/04/50/856190450.db2.gz RSLPKVWXKULNLO-UHFFFAOYSA-N 2 2 383.414 3.965 20 0 GHADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156418885 856241135 /nfs/dbraw/zinc/24/11/35/856241135.db2.gz GJCIYCRFSACFSY-KEYYUXOJSA-N 2 2 391.313 3.556 20 0 GHADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156418885 856241143 /nfs/dbraw/zinc/24/11/43/856241143.db2.gz GJCIYCRFSACFSY-KEYYUXOJSA-N 2 2 391.313 3.556 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478471 856888366 /nfs/dbraw/zinc/88/83/66/856888366.db2.gz DOYHIJRNQWKAHW-IEBWSBKVSA-N 2 2 381.520 3.684 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478471 856888376 /nfs/dbraw/zinc/88/83/76/856888376.db2.gz DOYHIJRNQWKAHW-IEBWSBKVSA-N 2 2 381.520 3.684 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000665253052 857019712 /nfs/dbraw/zinc/01/97/12/857019712.db2.gz DUEMKCFADUHMJX-NLSFWIRASA-N 3 2 385.527 3.562 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000665254250 857055428 /nfs/dbraw/zinc/05/54/28/857055428.db2.gz LBZKATWOTZVXKU-CFCCAZDESA-N 2 2 381.495 3.852 20 0 GHADLP COCCOc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000665256541 857151024 /nfs/dbraw/zinc/15/10/24/857151024.db2.gz DOFRRHGWSMEGRG-NLSFWIRASA-N 2 2 384.520 3.517 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)n2)C1 ZINC000485885976 857192807 /nfs/dbraw/zinc/19/28/07/857192807.db2.gz YXVNUIOVPZKZLZ-YJBOKZPZSA-N 2 2 376.570 3.721 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)n2)C1 ZINC000485885976 857192811 /nfs/dbraw/zinc/19/28/11/857192811.db2.gz YXVNUIOVPZKZLZ-YJBOKZPZSA-N 2 2 376.570 3.721 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)n2)C1 ZINC000485885976 857192817 /nfs/dbraw/zinc/19/28/17/857192817.db2.gz YXVNUIOVPZKZLZ-YJBOKZPZSA-N 2 2 376.570 3.721 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)n2)C1 ZINC000485885976 857192822 /nfs/dbraw/zinc/19/28/22/857192822.db2.gz YXVNUIOVPZKZLZ-YJBOKZPZSA-N 2 2 376.570 3.721 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CCc2n[nH]c3ccccc32)cc1F ZINC000665259569 857210270 /nfs/dbraw/zinc/21/02/70/857210270.db2.gz IYTZCBQXMDEXQN-YHEJKZAPSA-N 2 2 396.510 3.767 20 0 GHADLP Cn1c2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc2oc1=O ZINC000508372963 857225893 /nfs/dbraw/zinc/22/58/93/857225893.db2.gz WKVVMJBOSJEJMW-XMMPIXPASA-N 2 2 391.515 3.620 20 0 GHADLP Cn1c2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc2oc1=O ZINC000508372963 857225904 /nfs/dbraw/zinc/22/59/04/857225904.db2.gz WKVVMJBOSJEJMW-XMMPIXPASA-N 2 2 391.515 3.620 20 0 GHADLP Cn1c2ccc(C[NH+]3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)cc2oc1=O ZINC000508372963 857225916 /nfs/dbraw/zinc/22/59/16/857225916.db2.gz WKVVMJBOSJEJMW-XMMPIXPASA-N 2 2 391.515 3.620 20 0 GHADLP Cn1c2ccc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)cc2oc1=O ZINC000508372963 857225921 /nfs/dbraw/zinc/22/59/21/857225921.db2.gz WKVVMJBOSJEJMW-XMMPIXPASA-N 2 2 391.515 3.620 20 0 GHADLP Brc1ccc(-n2cc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cn2)cc1 ZINC000520962722 857443312 /nfs/dbraw/zinc/44/33/12/857443312.db2.gz OLRNXDXETMPYOB-UHFFFAOYSA-N 2 2 389.341 3.741 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000675605133 857517377 /nfs/dbraw/zinc/51/73/77/857517377.db2.gz HTMNHRIQOUUVJP-SFHVURJKSA-N 2 2 392.503 3.518 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000675605133 857517391 /nfs/dbraw/zinc/51/73/91/857517391.db2.gz HTMNHRIQOUUVJP-SFHVURJKSA-N 2 2 392.503 3.518 20 0 GHADLP Cc1cc(C)c(NC(=O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(C)c1 ZINC000675725909 857584358 /nfs/dbraw/zinc/58/43/58/857584358.db2.gz RLKGLEJWJITVJQ-UHFFFAOYSA-N 2 2 379.548 3.847 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000675786945 857613083 /nfs/dbraw/zinc/61/30/83/857613083.db2.gz MMLDPXBKTBWNPS-JRFVFWCSSA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000675786945 857613088 /nfs/dbraw/zinc/61/30/88/857613088.db2.gz MMLDPXBKTBWNPS-JRFVFWCSSA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000675786945 857613092 /nfs/dbraw/zinc/61/30/92/857613092.db2.gz MMLDPXBKTBWNPS-JRFVFWCSSA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000675786945 857613096 /nfs/dbraw/zinc/61/30/96/857613096.db2.gz MMLDPXBKTBWNPS-JRFVFWCSSA-N 3 2 387.612 3.625 20 0 GHADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000442226848 857619244 /nfs/dbraw/zinc/61/92/44/857619244.db2.gz BPDKGXUYUHSDDO-RBBKRZOGSA-N 2 2 397.567 3.615 20 0 GHADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000442226848 857619245 /nfs/dbraw/zinc/61/92/45/857619245.db2.gz BPDKGXUYUHSDDO-RBBKRZOGSA-N 2 2 397.567 3.615 20 0 GHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000063657058 857640029 /nfs/dbraw/zinc/64/00/29/857640029.db2.gz YIRLSDWXHCMCQG-UHFFFAOYSA-N 2 2 390.487 3.810 20 0 GHADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000675918229 857665037 /nfs/dbraw/zinc/66/50/37/857665037.db2.gz FJWQSWBRGBMNSL-XXBNENTESA-N 3 2 392.547 3.995 20 0 GHADLP O=C(NC1CC1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000064609554 857727480 /nfs/dbraw/zinc/72/74/80/857727480.db2.gz GYBQPRDGIXDXGS-UWJYYQICSA-N 2 2 383.561 3.570 20 0 GHADLP O=C(NC1CC1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000064609554 857727482 /nfs/dbraw/zinc/72/74/82/857727482.db2.gz GYBQPRDGIXDXGS-UWJYYQICSA-N 2 2 383.561 3.570 20 0 GHADLP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000676130559 857745461 /nfs/dbraw/zinc/74/54/61/857745461.db2.gz YYSACJDUSQKXSN-RTWAWAEBSA-N 2 2 399.458 3.514 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1Br ZINC000676479413 857910167 /nfs/dbraw/zinc/91/01/67/857910167.db2.gz SVRJFVDHSTXTOA-GOEBONIOSA-N 2 2 391.313 3.618 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1Br ZINC000676479413 857910173 /nfs/dbraw/zinc/91/01/73/857910173.db2.gz SVRJFVDHSTXTOA-GOEBONIOSA-N 2 2 391.313 3.618 20 0 GHADLP C[NH+](C)Cc1cccc(NC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000191035001 858032217 /nfs/dbraw/zinc/03/22/17/858032217.db2.gz AIFAUPHPPOIYGG-UHFFFAOYSA-N 2 2 386.927 3.581 20 0 GHADLP C[NH+](C)Cc1cccc(NC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000191035001 858032225 /nfs/dbraw/zinc/03/22/25/858032225.db2.gz AIFAUPHPPOIYGG-UHFFFAOYSA-N 2 2 386.927 3.581 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000521535048 858084322 /nfs/dbraw/zinc/08/43/22/858084322.db2.gz FHCCDGFYIOXLDW-APWZRJJASA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000521535048 858084329 /nfs/dbraw/zinc/08/43/29/858084329.db2.gz FHCCDGFYIOXLDW-APWZRJJASA-N 2 2 377.960 3.684 20 0 GHADLP C[N@H+](CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442754637 858113059 /nfs/dbraw/zinc/11/30/59/858113059.db2.gz BKLWVOOTNCZCSL-RLAPIPATSA-N 2 2 387.543 3.702 20 0 GHADLP C[N@@H+](CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442754637 858113061 /nfs/dbraw/zinc/11/30/61/858113061.db2.gz BKLWVOOTNCZCSL-RLAPIPATSA-N 2 2 387.543 3.702 20 0 GHADLP O[C@@H](Cc1ccccc1C(F)(F)F)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060013 858116951 /nfs/dbraw/zinc/11/69/51/858116951.db2.gz QURMJEFNJNSJJF-IBGZPJMESA-N 2 2 395.469 3.998 20 0 GHADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000543061102 858136582 /nfs/dbraw/zinc/13/65/82/858136582.db2.gz OMFINYZYWMELBM-MSOLQXFVSA-N 2 2 386.515 3.780 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543061164 858141261 /nfs/dbraw/zinc/14/12/61/858141261.db2.gz PKLKUJGPFXBXHK-SFHVURJKSA-N 2 2 384.524 3.801 20 0 GHADLP CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000674092556 862999594 /nfs/dbraw/zinc/99/95/94/862999594.db2.gz OUUNQYXQPUIFIW-LEWJYISDSA-N 2 2 391.987 3.707 20 0 GHADLP CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000674092556 862999603 /nfs/dbraw/zinc/99/96/03/862999603.db2.gz OUUNQYXQPUIFIW-LEWJYISDSA-N 2 2 391.987 3.707 20 0 GHADLP Cc1cccn2cc(CC(=O)N3CCC(C[N@@H+](C)Cc4ccccc4)CC3)[nH+]c12 ZINC000066675797 858240801 /nfs/dbraw/zinc/24/08/01/858240801.db2.gz HMAAWCSSGKAWQA-UHFFFAOYSA-N 2 2 390.531 3.556 20 0 GHADLP Cc1cccn2cc(CC(=O)N3CCC(C[N@H+](C)Cc4ccccc4)CC3)[nH+]c12 ZINC000066675797 858240809 /nfs/dbraw/zinc/24/08/09/858240809.db2.gz HMAAWCSSGKAWQA-UHFFFAOYSA-N 2 2 390.531 3.556 20 0 GHADLP C[C@@H](CC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)n1cc[nH+]c1 ZINC000521881094 858400292 /nfs/dbraw/zinc/40/02/92/858400292.db2.gz PZUROAIOAXNIPL-INIZCTEOSA-N 2 2 394.441 3.588 20 0 GHADLP C[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)n1cc[nH+]c1 ZINC000521881094 858400297 /nfs/dbraw/zinc/40/02/97/858400297.db2.gz PZUROAIOAXNIPL-INIZCTEOSA-N 2 2 394.441 3.588 20 0 GHADLP CSC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000595102161 858405630 /nfs/dbraw/zinc/40/56/30/858405630.db2.gz KTYUJWMEUKVOFM-ROUUACIJSA-N 2 2 388.499 3.952 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(C)c1 ZINC000575064528 858509670 /nfs/dbraw/zinc/50/96/70/858509670.db2.gz DSOHQTHSUUZGHZ-URVUXULASA-N 2 2 395.551 3.509 20 0 GHADLP CCOc1c(Br)cc(C[N@H+](C)CCCn2cc[nH+]c2)cc1OC ZINC000575218505 858608443 /nfs/dbraw/zinc/60/84/43/858608443.db2.gz BXZMZAGPONGMFZ-UHFFFAOYSA-N 2 2 382.302 3.575 20 0 GHADLP CCOc1c(Br)cc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1OC ZINC000575218505 858608446 /nfs/dbraw/zinc/60/84/46/858608446.db2.gz BXZMZAGPONGMFZ-UHFFFAOYSA-N 2 2 382.302 3.575 20 0 GHADLP CC[C@H](OC1CCCC1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183670937 858792038 /nfs/dbraw/zinc/79/20/38/858792038.db2.gz MLIGIOUGGYPANS-FKBYEOEOSA-N 2 2 393.616 3.520 20 0 GHADLP CC[C@H](OC1CCCC1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183670937 858792047 /nfs/dbraw/zinc/79/20/47/858792047.db2.gz MLIGIOUGGYPANS-FKBYEOEOSA-N 2 2 393.616 3.520 20 0 GHADLP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000183702653 858801719 /nfs/dbraw/zinc/80/17/19/858801719.db2.gz RMZRBNDPCNYYGN-ZJOUEHCJSA-N 2 2 396.531 3.942 20 0 GHADLP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000183702653 858801731 /nfs/dbraw/zinc/80/17/31/858801731.db2.gz RMZRBNDPCNYYGN-ZJOUEHCJSA-N 2 2 396.531 3.942 20 0 GHADLP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2OCC2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000482789684 858864759 /nfs/dbraw/zinc/86/47/59/858864759.db2.gz LZPJWBZPUCRVOV-UWJYYQICSA-N 2 2 391.987 3.587 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000482789684 858864768 /nfs/dbraw/zinc/86/47/68/858864768.db2.gz LZPJWBZPUCRVOV-UWJYYQICSA-N 2 2 391.987 3.587 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000532186923 881358160 /nfs/dbraw/zinc/35/81/60/881358160.db2.gz QDOUMMYCHZIEFU-OXJNMPFZSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000532186923 881358177 /nfs/dbraw/zinc/35/81/77/881358177.db2.gz QDOUMMYCHZIEFU-OXJNMPFZSA-N 2 2 375.463 3.726 20 0 GHADLP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000443557053 858948490 /nfs/dbraw/zinc/94/84/90/858948490.db2.gz ISDUNZOECNHRLR-UHFFFAOYSA-N 2 2 397.950 3.724 20 0 GHADLP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000443557053 858948499 /nfs/dbraw/zinc/94/84/99/858948499.db2.gz ISDUNZOECNHRLR-UHFFFAOYSA-N 2 2 397.950 3.724 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)N2CCC([NH+](C)CC(F)F)CC2)cc1)C(C)C ZINC000074128592 858970080 /nfs/dbraw/zinc/97/00/80/858970080.db2.gz RLGZZROGRSQYKG-UHFFFAOYSA-N 2 2 381.511 3.718 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)N2CCC([NH+](C)CC(F)F)CC2)cc1)C(C)C ZINC000074128592 858970084 /nfs/dbraw/zinc/97/00/84/858970084.db2.gz RLGZZROGRSQYKG-UHFFFAOYSA-N 2 2 381.511 3.718 20 0 GHADLP CC[NH+](Cc1ccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc1)C(C)C ZINC000074128592 858970092 /nfs/dbraw/zinc/97/00/92/858970092.db2.gz RLGZZROGRSQYKG-UHFFFAOYSA-N 2 2 381.511 3.718 20 0 GHADLP CC[NH+](Cc1ccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc1)C(C)C ZINC000074128592 858970103 /nfs/dbraw/zinc/97/01/03/858970103.db2.gz RLGZZROGRSQYKG-UHFFFAOYSA-N 2 2 381.511 3.718 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000185142371 859048264 /nfs/dbraw/zinc/04/82/64/859048264.db2.gz HTQCBYOMVONMIC-UHFFFAOYSA-N 2 2 378.451 3.829 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000185174572 859052073 /nfs/dbraw/zinc/05/20/73/859052073.db2.gz QYEJKIUHSWWEFX-UHFFFAOYSA-N 2 2 378.451 3.829 20 0 GHADLP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000185599004 859101365 /nfs/dbraw/zinc/10/13/65/859101365.db2.gz YFOBONXRXITWHR-QZTJIDSGSA-N 2 2 383.517 3.694 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483141697 859178406 /nfs/dbraw/zinc/17/84/06/859178406.db2.gz SUOHNHLANPCFAR-OAQYLSRUSA-N 2 2 398.595 3.801 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483141697 859178412 /nfs/dbraw/zinc/17/84/12/859178412.db2.gz SUOHNHLANPCFAR-OAQYLSRUSA-N 2 2 398.595 3.801 20 0 GHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c1 ZINC000483178640 859193481 /nfs/dbraw/zinc/19/34/81/859193481.db2.gz HBDMYOYOQPNRBU-PZJWPPBQSA-N 2 2 399.579 3.555 20 0 GHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)c1 ZINC000483178640 859193487 /nfs/dbraw/zinc/19/34/87/859193487.db2.gz HBDMYOYOQPNRBU-PZJWPPBQSA-N 2 2 399.579 3.555 20 0 GHADLP Cc1ncsc1C[N@H+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC000923338929 859235273 /nfs/dbraw/zinc/23/52/73/859235273.db2.gz MJGQLSXLNXHOLV-PBHICJAKSA-N 2 2 399.482 3.615 20 0 GHADLP Cc1ncsc1C[N@@H+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC000923338929 859235279 /nfs/dbraw/zinc/23/52/79/859235279.db2.gz MJGQLSXLNXHOLV-PBHICJAKSA-N 2 2 399.482 3.615 20 0 GHADLP COC(=O)C[C@H]([NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)c1cccnc1 ZINC001168026131 859284211 /nfs/dbraw/zinc/28/42/11/859284211.db2.gz LDJYHOZAIYGQFL-SPEDKVCISA-N 2 2 381.520 3.717 20 0 GHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(S(C)(=O)=O)c(Cl)c3)CC2)C1 ZINC000429412914 859305848 /nfs/dbraw/zinc/30/58/48/859305848.db2.gz QVHDJPADVOSPQA-CRAIPNDOSA-N 2 2 399.000 3.876 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](c3ccccc3)C3CCCCC3)CC[C@H]21 ZINC000483485111 859407454 /nfs/dbraw/zinc/40/74/54/859407454.db2.gz YZBMBILMQIYESD-AKFKNWHVSA-N 2 2 383.580 3.840 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](c3ccccc3)C3CCCCC3)CC[C@H]21 ZINC000483485111 859407462 /nfs/dbraw/zinc/40/74/62/859407462.db2.gz YZBMBILMQIYESD-AKFKNWHVSA-N 2 2 383.580 3.840 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](c3ccccc3)C3CCCCC3)CC[C@H]21 ZINC000483485111 859407471 /nfs/dbraw/zinc/40/74/71/859407471.db2.gz YZBMBILMQIYESD-AKFKNWHVSA-N 2 2 383.580 3.840 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3ccccc3)C3CCCCC3)CC[C@H]21 ZINC000483485111 859407478 /nfs/dbraw/zinc/40/74/78/859407478.db2.gz YZBMBILMQIYESD-AKFKNWHVSA-N 2 2 383.580 3.840 20 0 GHADLP FC(F)(F)Oc1ccc(OCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000466739467 859419911 /nfs/dbraw/zinc/41/99/11/859419911.db2.gz MAMXZDRYUUYBCF-OAHLLOKOSA-N 2 2 381.398 3.793 20 0 GHADLP FC(F)(F)Oc1ccc(OCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000466739467 859419914 /nfs/dbraw/zinc/41/99/14/859419914.db2.gz MAMXZDRYUUYBCF-OAHLLOKOSA-N 2 2 381.398 3.793 20 0 GHADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc2ccccc21 ZINC000671768583 859480631 /nfs/dbraw/zinc/48/06/31/859480631.db2.gz IZHYPYMPFYBWFS-MNRDOXJOSA-N 2 2 379.548 3.964 20 0 GHADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc2ccccc21 ZINC000671768583 859480640 /nfs/dbraw/zinc/48/06/40/859480640.db2.gz IZHYPYMPFYBWFS-MNRDOXJOSA-N 2 2 379.548 3.964 20 0 GHADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(Cl)c1F ZINC000671768815 859480732 /nfs/dbraw/zinc/48/07/32/859480732.db2.gz MKAVOPLDMYIHHD-MUSFGAPCSA-N 2 2 381.923 3.603 20 0 GHADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(Cl)c1F ZINC000671768815 859480736 /nfs/dbraw/zinc/48/07/36/859480736.db2.gz MKAVOPLDMYIHHD-MUSFGAPCSA-N 2 2 381.923 3.603 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)CCCC1)c1ccccc1 ZINC000428289997 859537082 /nfs/dbraw/zinc/53/70/82/859537082.db2.gz VXXMZAHZPJOQRS-QGZVFWFLSA-N 2 2 379.504 3.885 20 0 GHADLP Cc1cc(Br)cn2c(CN3CCC([NH+]4CCCCC4)CC3)c[nH+]c12 ZINC000543396115 859552962 /nfs/dbraw/zinc/55/29/62/859552962.db2.gz DSFKUSWAZOWIGU-UHFFFAOYSA-N 2 2 391.357 3.856 20 0 GHADLP Cc1ccccc1[C@H](CC(C)C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001168724715 859723919 /nfs/dbraw/zinc/72/39/19/859723919.db2.gz ZWHCXGNEMBVSET-QFIPXVFZSA-N 2 2 394.563 3.806 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000765034848 859742209 /nfs/dbraw/zinc/74/22/09/859742209.db2.gz JAULAEWTJHWBRI-QGZVFWFLSA-N 2 2 392.547 3.957 20 0 GHADLP CC(C)(C)[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1 ZINC000474286577 859774645 /nfs/dbraw/zinc/77/46/45/859774645.db2.gz XYURPLVVGAJXFQ-UHFFFAOYSA-N 2 2 395.547 3.758 20 0 GHADLP CC(C)(C)[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1 ZINC000474286577 859774658 /nfs/dbraw/zinc/77/46/58/859774658.db2.gz XYURPLVVGAJXFQ-UHFFFAOYSA-N 2 2 395.547 3.758 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3ncc4ccc(OCc5ccccc5)cc43)CC[C@H]21 ZINC000765108254 859794093 /nfs/dbraw/zinc/79/40/93/859794093.db2.gz VRRMLRMOBPDMJJ-FYYLOGMGSA-N 2 2 390.531 3.989 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ncc4ccc(OCc5ccccc5)cc43)CC[C@H]21 ZINC000765108254 859794097 /nfs/dbraw/zinc/79/40/97/859794097.db2.gz VRRMLRMOBPDMJJ-FYYLOGMGSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ncc4ccc(OCc5ccccc5)cc43)CC[C@H]21 ZINC000765108254 859794105 /nfs/dbraw/zinc/79/41/05/859794105.db2.gz VRRMLRMOBPDMJJ-FYYLOGMGSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ncc4ccc(OCc5ccccc5)cc43)CC[C@H]21 ZINC000765108254 859794110 /nfs/dbraw/zinc/79/41/10/859794110.db2.gz VRRMLRMOBPDMJJ-FYYLOGMGSA-N 2 2 390.531 3.989 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C[C@H]1C(F)(F)F ZINC001168537511 859816123 /nfs/dbraw/zinc/81/61/23/859816123.db2.gz DMPYZYUJZYLGLC-CABCVRRESA-N 2 2 398.429 3.754 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OC)c(OC)c1 ZINC000484149666 859838183 /nfs/dbraw/zinc/83/81/83/859838183.db2.gz WLRBXCPNQFVYAL-FKBYEOEOSA-N 2 2 398.547 3.628 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OC)c(OC)c1 ZINC000484149666 859838187 /nfs/dbraw/zinc/83/81/87/859838187.db2.gz WLRBXCPNQFVYAL-FKBYEOEOSA-N 2 2 398.547 3.628 20 0 GHADLP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@H]1CO)CCC2 ZINC000484151046 859839169 /nfs/dbraw/zinc/83/91/69/859839169.db2.gz XGUOEVAFVLWPKB-IPMKNSEASA-N 2 2 385.577 3.556 20 0 GHADLP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1CO)CCC2 ZINC000484151046 859839175 /nfs/dbraw/zinc/83/91/75/859839175.db2.gz XGUOEVAFVLWPKB-IPMKNSEASA-N 2 2 385.577 3.556 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1OC(F)F ZINC000484130703 859840978 /nfs/dbraw/zinc/84/09/78/859840978.db2.gz MMEHKMYOYKBBOU-QVKFZJNVSA-N 2 2 394.437 3.715 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1OC(F)F ZINC000484130703 859840985 /nfs/dbraw/zinc/84/09/85/859840985.db2.gz MMEHKMYOYKBBOU-QVKFZJNVSA-N 2 2 394.437 3.715 20 0 GHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(OCc2nccn2C)cc1 ZINC000765248243 859865036 /nfs/dbraw/zinc/86/50/36/859865036.db2.gz CWVZYYCLYBVBRU-FXAWDEMLSA-N 2 2 381.524 3.961 20 0 GHADLP COc1ccc2nc(C[NH2+]Cc3cccc(C[N@@H+]4CCO[C@@H](C)C4)c3)sc2c1 ZINC000474345878 859892131 /nfs/dbraw/zinc/89/21/31/859892131.db2.gz IAKGIURRBVCICG-INIZCTEOSA-N 2 2 397.544 3.815 20 0 GHADLP COc1ccc2nc(C[NH2+]Cc3cccc(C[N@H+]4CCO[C@@H](C)C4)c3)sc2c1 ZINC000474345878 859892137 /nfs/dbraw/zinc/89/21/37/859892137.db2.gz IAKGIURRBVCICG-INIZCTEOSA-N 2 2 397.544 3.815 20 0 GHADLP CN(C)C(=O)C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccc1 ZINC000765312447 859900691 /nfs/dbraw/zinc/90/06/91/859900691.db2.gz FHIJSQQDPKHPGO-QHCPKHFHSA-N 2 2 394.563 3.531 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+](C)C)cc1 ZINC000474392579 859986096 /nfs/dbraw/zinc/98/60/96/859986096.db2.gz PGTGXIHLBGKKHZ-GHTZIAJQSA-N 2 2 382.552 3.620 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[NH+](C)C)cc1 ZINC000474392579 859986098 /nfs/dbraw/zinc/98/60/98/859986098.db2.gz PGTGXIHLBGKKHZ-GHTZIAJQSA-N 2 2 382.552 3.620 20 0 GHADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000428862209 860036357 /nfs/dbraw/zinc/03/63/57/860036357.db2.gz SUBHDPVFOZWFQA-UHFFFAOYSA-N 2 2 398.551 3.863 20 0 GHADLP C[C@@H](CCC1CCCCC1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000115675738 860074824 /nfs/dbraw/zinc/07/48/24/860074824.db2.gz OSBKXBNLIXBTQQ-SFHVURJKSA-N 2 2 378.605 3.593 20 0 GHADLP COc1ccc(C(=O)C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000014327353 860095495 /nfs/dbraw/zinc/09/54/95/860095495.db2.gz WLRKBTYLNWXSCO-UHFFFAOYSA-N 2 2 375.472 3.976 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@H]32)cc1 ZINC000765544010 860120381 /nfs/dbraw/zinc/12/03/81/860120381.db2.gz DMFOHORQWQEXKH-LEWJYISDSA-N 2 2 377.536 3.568 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@H]32)cc1 ZINC000765544010 860120386 /nfs/dbraw/zinc/12/03/86/860120386.db2.gz DMFOHORQWQEXKH-LEWJYISDSA-N 2 2 377.536 3.568 20 0 GHADLP Cc1ccc([C@H](CN[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[NH+]2CCCC2)o1 ZINC000765606166 860316305 /nfs/dbraw/zinc/31/63/05/860316305.db2.gz BOIDUYONTMJVER-SFLYRZDNSA-N 2 2 397.563 3.604 20 0 GHADLP Cc1nc2sc3c(c2c(NCC[NH+]2CCC([NH+](C)C)CC2)n1)CC[C@H](C)C3 ZINC000484814162 860383162 /nfs/dbraw/zinc/38/31/62/860383162.db2.gz OCRCZEXZSBNLTD-AWEZNQCLSA-N 2 2 387.597 3.562 20 0 GHADLP C[C@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)Cn1cc[nH+]c1 ZINC000474601590 860438851 /nfs/dbraw/zinc/43/88/51/860438851.db2.gz AKDQGENAGDPWHJ-LLVKDONJSA-N 2 2 392.219 3.970 20 0 GHADLP c1sc(-c2ccccn2)nc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904471396 860464228 /nfs/dbraw/zinc/46/42/28/860464228.db2.gz ANUSAXFIYTYCDS-RXVVDRJESA-N 2 2 378.501 3.551 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000508993026 860470915 /nfs/dbraw/zinc/47/09/15/860470915.db2.gz XRDFQNGFGAUUGI-NRFANRHFSA-N 2 2 389.547 3.735 20 0 GHADLP CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428954207 860505857 /nfs/dbraw/zinc/50/58/57/860505857.db2.gz LUOZJZNRMRLHRK-DLBZAZTESA-N 2 2 396.626 3.577 20 0 GHADLP COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000921588452 860536932 /nfs/dbraw/zinc/53/69/32/860536932.db2.gz HOPIGVRWHODVQN-OAHLLOKOSA-N 2 2 397.450 3.550 20 0 GHADLP COc1ccc(Br)cc1-c1nc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cs1 ZINC000484972455 860563534 /nfs/dbraw/zinc/56/35/34/860563534.db2.gz OMWWVFBPGIVVHU-NEPJUHHUSA-N 2 2 396.354 3.750 20 0 GHADLP COc1ccc(Br)cc1-c1nc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cs1 ZINC000484972455 860563543 /nfs/dbraw/zinc/56/35/43/860563543.db2.gz OMWWVFBPGIVVHU-NEPJUHHUSA-N 2 2 396.354 3.750 20 0 GHADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000428993720 860631286 /nfs/dbraw/zinc/63/12/86/860631286.db2.gz ARGNJNUYYNSGNE-ICSRJNTNSA-N 2 2 396.362 3.685 20 0 GHADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000428993720 860631291 /nfs/dbraw/zinc/63/12/91/860631291.db2.gz ARGNJNUYYNSGNE-ICSRJNTNSA-N 2 2 396.362 3.685 20 0 GHADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000428993720 860631295 /nfs/dbraw/zinc/63/12/95/860631295.db2.gz ARGNJNUYYNSGNE-ICSRJNTNSA-N 2 2 396.362 3.685 20 0 GHADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000428993720 860631299 /nfs/dbraw/zinc/63/12/99/860631299.db2.gz ARGNJNUYYNSGNE-ICSRJNTNSA-N 2 2 396.362 3.685 20 0 GHADLP CC(C)Sc1cccc(Cl)c1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000474715251 860672299 /nfs/dbraw/zinc/67/22/99/860672299.db2.gz UMUYNRCBYYLEMN-OAHLLOKOSA-N 2 2 383.989 3.518 20 0 GHADLP CC(C)Sc1cccc(Cl)c1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000474715251 860672305 /nfs/dbraw/zinc/67/23/05/860672305.db2.gz UMUYNRCBYYLEMN-OAHLLOKOSA-N 2 2 383.989 3.518 20 0 GHADLP O=C(NCCCCC[NH+]1CCCCC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000532252847 881576648 /nfs/dbraw/zinc/57/66/48/881576648.db2.gz HXPWJGDBZHEFAN-JLHYYAGUSA-N 2 2 398.595 3.683 20 0 GHADLP Cc1ccccc1-n1nccc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000474797782 860785753 /nfs/dbraw/zinc/78/57/53/860785753.db2.gz HQGCJJFKEFPFNN-UHFFFAOYSA-N 2 2 390.535 3.718 20 0 GHADLP C[C@@H]1CC(N2CC[NH+](Cc3cccnc3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041787 860791487 /nfs/dbraw/zinc/79/14/87/860791487.db2.gz VLMICCRODZRPPF-NHCUHLMSSA-N 2 2 378.564 3.641 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cc2c(cc1Br)OCCO2 ZINC000623365065 860935546 /nfs/dbraw/zinc/93/55/46/860935546.db2.gz AVINTEDXGCPJSE-STQMWFEESA-N 2 2 383.330 3.744 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cc2c(cc1Br)OCCO2 ZINC000623365065 860935554 /nfs/dbraw/zinc/93/55/54/860935554.db2.gz AVINTEDXGCPJSE-STQMWFEESA-N 2 2 383.330 3.744 20 0 GHADLP Cc1[nH]c(C2CCN(C(=O)[C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)CC2)[nH+]c1C ZINC000899505633 860970435 /nfs/dbraw/zinc/97/04/35/860970435.db2.gz OKHSNSAOYIJHQQ-FQEVSTJZSA-N 2 2 398.526 3.784 20 0 GHADLP Cc1[nH]c(C2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CC2)[nH+]c1C ZINC000899505633 860970439 /nfs/dbraw/zinc/97/04/39/860970439.db2.gz OKHSNSAOYIJHQQ-FQEVSTJZSA-N 2 2 398.526 3.784 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000600142822 861114684 /nfs/dbraw/zinc/11/46/84/861114684.db2.gz QHCBPXMQZBBIJB-ROUUACIJSA-N 2 2 381.520 3.505 20 0 GHADLP Ic1ccc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000182804058 863360521 /nfs/dbraw/zinc/36/05/21/863360521.db2.gz TUKFYQWEZMNZOU-MRXNPFEDSA-N 2 2 381.261 3.715 20 0 GHADLP Ic1ccc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000182804058 863360537 /nfs/dbraw/zinc/36/05/37/863360537.db2.gz TUKFYQWEZMNZOU-MRXNPFEDSA-N 2 2 381.261 3.715 20 0 GHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000482628506 863402207 /nfs/dbraw/zinc/40/22/07/863402207.db2.gz KDNLTCDKZZBEMR-LEWJYISDSA-N 2 2 385.939 3.553 20 0 GHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000482628506 863402209 /nfs/dbraw/zinc/40/22/09/863402209.db2.gz KDNLTCDKZZBEMR-LEWJYISDSA-N 2 2 385.939 3.553 20 0 GHADLP Cc1ccccc1[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000183214733 863508374 /nfs/dbraw/zinc/50/83/74/863508374.db2.gz DFSBLECSRSADBL-XMMPIXPASA-N 2 2 395.547 3.753 20 0 GHADLP Cc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000158617316 863890293 /nfs/dbraw/zinc/89/02/93/863890293.db2.gz CWYQMHDLWZGBOS-UXHICEINSA-N 2 2 392.613 3.535 20 0 GHADLP Cc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000158617316 863890297 /nfs/dbraw/zinc/89/02/97/863890297.db2.gz CWYQMHDLWZGBOS-UXHICEINSA-N 2 2 392.613 3.535 20 0 GHADLP Cc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000158617162 863890398 /nfs/dbraw/zinc/89/03/98/863890398.db2.gz CWYQMHDLWZGBOS-WOJBJXKFSA-N 2 2 392.613 3.535 20 0 GHADLP Cc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000158617162 863890405 /nfs/dbraw/zinc/89/04/05/863890405.db2.gz CWYQMHDLWZGBOS-WOJBJXKFSA-N 2 2 392.613 3.535 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000554374501 864233950 /nfs/dbraw/zinc/23/39/50/864233950.db2.gz UEMCPQSIVWHSAM-DOTOQJQBSA-N 2 2 394.441 3.856 20 0 GHADLP CC(C)C[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000621517445 864245518 /nfs/dbraw/zinc/24/55/18/864245518.db2.gz SBYNZAZNOLQBCV-LJQANCHMSA-N 2 2 389.540 3.572 20 0 GHADLP CC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)N1CCc2ccccc2C1 ZINC000480261037 864342640 /nfs/dbraw/zinc/34/26/40/864342640.db2.gz VSLHWEUGALTVTJ-NIJXNBFTSA-N 2 2 392.591 3.719 20 0 GHADLP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)N1CCc2ccccc2C1 ZINC000480261037 864342651 /nfs/dbraw/zinc/34/26/51/864342651.db2.gz VSLHWEUGALTVTJ-NIJXNBFTSA-N 2 2 392.591 3.719 20 0 GHADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480303040 864447260 /nfs/dbraw/zinc/44/72/60/864447260.db2.gz ZVJJEOLBRYRSBL-RBUKOAKNSA-N 2 2 376.447 3.692 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000429537315 881773087 /nfs/dbraw/zinc/77/30/87/881773087.db2.gz MASYOQBYQQLYNO-MOPGFXCFSA-N 2 2 397.485 3.613 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000429537315 881773097 /nfs/dbraw/zinc/77/30/97/881773097.db2.gz MASYOQBYQQLYNO-MOPGFXCFSA-N 2 2 397.485 3.613 20 0 GHADLP O=C(NCC1([NH+]2CCCCC2)CCCCC1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554541682 864528283 /nfs/dbraw/zinc/52/82/83/864528283.db2.gz RDEWUUYEHFNJFP-UHFFFAOYSA-N 2 2 396.539 3.637 20 0 GHADLP C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163720992 864557950 /nfs/dbraw/zinc/55/79/50/864557950.db2.gz FPAQKQTUQLQERI-XXBNENTESA-N 2 2 376.504 3.596 20 0 GHADLP CC(C)n1cc([C@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000163936219 864579326 /nfs/dbraw/zinc/57/93/26/864579326.db2.gz UXERDKVVMJTDAT-NRFANRHFSA-N 2 2 383.584 3.713 20 0 GHADLP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@H]1CCC[NH+]1C1CC1 ZINC000494490597 881787779 /nfs/dbraw/zinc/78/77/79/881787779.db2.gz YNYPRCOKWIEEFH-NHCUHLMSSA-N 2 2 395.572 3.591 20 0 GHADLP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@H]1CCC[NH+]1C1CC1 ZINC000494490597 881787790 /nfs/dbraw/zinc/78/77/90/881787790.db2.gz YNYPRCOKWIEEFH-NHCUHLMSSA-N 2 2 395.572 3.591 20 0 GHADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000494490597 881787797 /nfs/dbraw/zinc/78/77/97/881787797.db2.gz YNYPRCOKWIEEFH-NHCUHLMSSA-N 2 2 395.572 3.591 20 0 GHADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000494490597 881787804 /nfs/dbraw/zinc/78/78/04/881787804.db2.gz YNYPRCOKWIEEFH-NHCUHLMSSA-N 2 2 395.572 3.591 20 0 GHADLP CCOc1c(OC)cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000475333311 864799401 /nfs/dbraw/zinc/79/94/01/864799401.db2.gz NFTBRQJURFZCBG-OYRHEFFESA-N 2 2 396.531 3.666 20 0 GHADLP CCOc1c(OC)cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000475333311 864799407 /nfs/dbraw/zinc/79/94/07/864799407.db2.gz NFTBRQJURFZCBG-OYRHEFFESA-N 2 2 396.531 3.666 20 0 GHADLP CCOc1c(OC)cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000475333311 864799411 /nfs/dbraw/zinc/79/94/11/864799411.db2.gz NFTBRQJURFZCBG-OYRHEFFESA-N 2 2 396.531 3.666 20 0 GHADLP CCOc1c(OC)cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000475333311 864799420 /nfs/dbraw/zinc/79/94/20/864799420.db2.gz NFTBRQJURFZCBG-OYRHEFFESA-N 2 2 396.531 3.666 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cn(-c3ccc(Cl)c(Cl)c3)nn1)CCC2 ZINC000554749850 864853405 /nfs/dbraw/zinc/85/34/05/864853405.db2.gz YJWFPZSCPSEQJQ-CYBMUJFWSA-N 2 2 391.306 3.746 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2c[nH]c3cc(Cl)ccc23)([NH+]2CCCCC2)CC1 ZINC000607944956 864878741 /nfs/dbraw/zinc/87/87/41/864878741.db2.gz ZIFDZHVLNKYLIG-UHFFFAOYSA-N 2 2 388.943 3.501 20 0 GHADLP Cc1c(O)ccc2c(C[N@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)cc(=O)oc12 ZINC000735870489 865016203 /nfs/dbraw/zinc/01/62/03/865016203.db2.gz AJPVOBDLGTUSHA-SFHVURJKSA-N 2 2 384.520 3.751 20 0 GHADLP Cc1c(O)ccc2c(C[N@@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)cc(=O)oc12 ZINC000735870489 865016219 /nfs/dbraw/zinc/01/62/19/865016219.db2.gz AJPVOBDLGTUSHA-SFHVURJKSA-N 2 2 384.520 3.751 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171388083 865237146 /nfs/dbraw/zinc/23/71/46/865237146.db2.gz IIRLREYXHYXGPP-MRXNPFEDSA-N 2 2 393.959 3.792 20 0 GHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000480771399 865269912 /nfs/dbraw/zinc/26/99/12/865269912.db2.gz RBAQELOPDWDOGB-QZTJIDSGSA-N 2 2 375.476 3.849 20 0 GHADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608407904 865290324 /nfs/dbraw/zinc/29/03/24/865290324.db2.gz KGWFTERZIVKXMC-TZIWHRDSSA-N 2 2 397.567 3.515 20 0 GHADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608407904 865290340 /nfs/dbraw/zinc/29/03/40/865290340.db2.gz KGWFTERZIVKXMC-TZIWHRDSSA-N 2 2 397.567 3.515 20 0 GHADLP COc1cc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)ccc1F ZINC000555124779 865564429 /nfs/dbraw/zinc/56/44/29/865564429.db2.gz BNINRHLTJCGGMT-UHFFFAOYSA-N 2 2 380.467 3.651 20 0 GHADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)C1 ZINC000063917582 865634437 /nfs/dbraw/zinc/63/44/37/865634437.db2.gz IMDHYMKSDVTUMH-QGZVFWFLSA-N 2 2 378.923 3.854 20 0 GHADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)C1 ZINC000063917582 865634444 /nfs/dbraw/zinc/63/44/44/865634444.db2.gz IMDHYMKSDVTUMH-QGZVFWFLSA-N 2 2 378.923 3.854 20 0 GHADLP C[C@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000671242952 865697568 /nfs/dbraw/zinc/69/75/68/865697568.db2.gz XNTKHAJWZIOACW-GOSISDBHSA-N 2 2 384.524 3.622 20 0 GHADLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000481053369 865747752 /nfs/dbraw/zinc/74/77/52/865747752.db2.gz JKNOKBHXUKZFSW-XWIAVFTESA-N 2 2 393.318 3.878 20 0 GHADLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000481053369 865747756 /nfs/dbraw/zinc/74/77/56/865747756.db2.gz JKNOKBHXUKZFSW-XWIAVFTESA-N 2 2 393.318 3.878 20 0 GHADLP CN(C(=O)N[C@@H](C1CCC1)C1CCCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645828881 865785815 /nfs/dbraw/zinc/78/58/15/865785815.db2.gz DMFLGMOOXOQEJI-FGZHOGPDSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)N[C@@H](C1CCC1)C1CCCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645828881 865785827 /nfs/dbraw/zinc/78/58/27/865785827.db2.gz DMFLGMOOXOQEJI-FGZHOGPDSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000665717572 865929178 /nfs/dbraw/zinc/92/91/78/865929178.db2.gz ILDCKSGSDFVUQJ-ACIOBRDBSA-N 2 2 398.595 3.523 20 0 GHADLP CN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000665717572 865929186 /nfs/dbraw/zinc/92/91/86/865929186.db2.gz ILDCKSGSDFVUQJ-ACIOBRDBSA-N 2 2 398.595 3.523 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000481183344 865945852 /nfs/dbraw/zinc/94/58/52/865945852.db2.gz ROUQCDQLSKNWND-MGPUTAFESA-N 2 2 389.902 3.918 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000481183344 865945863 /nfs/dbraw/zinc/94/58/63/865945863.db2.gz ROUQCDQLSKNWND-MGPUTAFESA-N 2 2 389.902 3.918 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(C)Cc1ccccc1 ZINC000481189550 865968814 /nfs/dbraw/zinc/96/88/14/865968814.db2.gz KFJVYRLYJAYCQP-SXWKCWPCSA-N 2 2 379.548 3.534 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(C)Cc1ccccc1 ZINC000481189550 865968826 /nfs/dbraw/zinc/96/88/26/865968826.db2.gz KFJVYRLYJAYCQP-SXWKCWPCSA-N 2 2 379.548 3.534 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4cc(N5CCCC5)[nH+]cn4)CC[C@H]32)cc1 ZINC000302921142 865991830 /nfs/dbraw/zinc/99/18/30/865991830.db2.gz ZXQHWGSAABHBQR-NHCUHLMSSA-N 2 2 377.536 3.568 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H]3CN(c4cc(N5CCCC5)[nH+]cn4)CC[C@H]32)cc1 ZINC000302921142 865991838 /nfs/dbraw/zinc/99/18/38/865991838.db2.gz ZXQHWGSAABHBQR-NHCUHLMSSA-N 2 2 377.536 3.568 20 0 GHADLP CCC(C)(C)[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000665786225 866294494 /nfs/dbraw/zinc/29/44/94/866294494.db2.gz LCWNRKFHQWGWCA-SXLOBPIMSA-N 2 2 380.621 3.790 20 0 GHADLP CCC(C)(C)[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000665786225 866294506 /nfs/dbraw/zinc/29/45/06/866294506.db2.gz LCWNRKFHQWGWCA-SXLOBPIMSA-N 2 2 380.621 3.790 20 0 GHADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000552870523 866355643 /nfs/dbraw/zinc/35/56/43/866355643.db2.gz LMSFVWQRWFGIRB-IBGZPJMESA-N 2 2 380.492 3.637 20 0 GHADLP C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121210847 881969430 /nfs/dbraw/zinc/96/94/30/881969430.db2.gz WRMMUZLWMZWGKV-UHFFFAOYSA-N 2 2 398.942 3.523 20 0 GHADLP C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121210847 881969439 /nfs/dbraw/zinc/96/94/39/881969439.db2.gz WRMMUZLWMZWGKV-UHFFFAOYSA-N 2 2 398.942 3.523 20 0 GHADLP CC(C)c1[nH+]ccn1CCC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000552920121 866494486 /nfs/dbraw/zinc/49/44/86/866494486.db2.gz OQKYTTKNUSNTQW-UHFFFAOYSA-N 2 2 389.503 3.993 20 0 GHADLP Cc1cccc(CCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534360644 866647578 /nfs/dbraw/zinc/64/75/78/866647578.db2.gz OSKHOKZVVBXEPD-DHIUTWEWSA-N 2 2 385.596 3.723 20 0 GHADLP Cc1cccc(CCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534360644 866647586 /nfs/dbraw/zinc/64/75/86/866647586.db2.gz OSKHOKZVVBXEPD-DHIUTWEWSA-N 2 2 385.596 3.723 20 0 GHADLP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244452 866667995 /nfs/dbraw/zinc/66/79/95/866667995.db2.gz BVJOXDQEIUVQNJ-MRXNPFEDSA-N 2 2 387.553 3.731 20 0 GHADLP CSc1c(F)cccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000667411665 866780523 /nfs/dbraw/zinc/78/05/23/866780523.db2.gz OSMSDRFSSVKJHR-UHFFFAOYSA-N 2 2 394.560 3.619 20 0 GHADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534599352 867109603 /nfs/dbraw/zinc/10/96/03/867109603.db2.gz ALNMDVXOZVKIJD-ROUUACIJSA-N 2 2 393.535 3.844 20 0 GHADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534599352 867109613 /nfs/dbraw/zinc/10/96/13/867109613.db2.gz ALNMDVXOZVKIJD-ROUUACIJSA-N 2 2 393.535 3.844 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1nnc(-c2ccccc2)n1C ZINC000189947957 882048964 /nfs/dbraw/zinc/04/89/64/882048964.db2.gz ZJKSADKDWNWNRL-RTBURBONSA-N 2 2 389.547 3.728 20 0 GHADLP COC[C@@H](Cc1ccccc1)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000153939967 867162971 /nfs/dbraw/zinc/16/29/71/867162971.db2.gz IIEMNVOHAUUXBJ-NZQKXSOJSA-N 2 2 382.548 3.734 20 0 GHADLP O=C(C[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1)NC1CC[NH+](C2CC2)CC1 ZINC000444793644 867257369 /nfs/dbraw/zinc/25/73/69/867257369.db2.gz PRDYSIHBORFAIC-HXUWFJFHSA-N 2 2 375.944 3.610 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1)NC1CC[NH+](C2CC2)CC1 ZINC000444793644 867257384 /nfs/dbraw/zinc/25/73/84/867257384.db2.gz PRDYSIHBORFAIC-HXUWFJFHSA-N 2 2 375.944 3.610 20 0 GHADLP C/C(=C\C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000742670135 867460919 /nfs/dbraw/zinc/46/09/19/867460919.db2.gz GODQNWXQYDCMOE-JQIJEIRASA-N 2 2 397.485 3.593 20 0 GHADLP C/C(=C\C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000742670135 867460922 /nfs/dbraw/zinc/46/09/22/867460922.db2.gz GODQNWXQYDCMOE-JQIJEIRASA-N 2 2 397.485 3.593 20 0 GHADLP C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000523571724 867548593 /nfs/dbraw/zinc/54/85/93/867548593.db2.gz XUVCCQZCGLTKTA-UHFFFAOYSA-N 2 2 384.867 3.718 20 0 GHADLP CCC[N@@H+]1Cc2cccc(NC(=O)C3CCN(c4ccc(C)c[nH+]4)CC3)c2C1 ZINC000171306846 882097216 /nfs/dbraw/zinc/09/72/16/882097216.db2.gz MYHYVSXIWJRMME-UHFFFAOYSA-N 2 2 378.520 3.971 20 0 GHADLP CCC[N@H+]1Cc2cccc(NC(=O)C3CCN(c4ccc(C)c[nH+]4)CC3)c2C1 ZINC000171306846 882097228 /nfs/dbraw/zinc/09/72/28/882097228.db2.gz MYHYVSXIWJRMME-UHFFFAOYSA-N 2 2 378.520 3.971 20 0 GHADLP CN(C(=O)c1ccc2c(c1)CCCC2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096388 868158927 /nfs/dbraw/zinc/15/89/27/868158927.db2.gz NTCLWTIVBMHHRD-ZEQRLZLVSA-N 2 2 397.607 3.975 20 0 GHADLP CN(C(=O)c1ccc2c(c1)CCCC2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096388 868158939 /nfs/dbraw/zinc/15/89/39/868158939.db2.gz NTCLWTIVBMHHRD-ZEQRLZLVSA-N 2 2 397.607 3.975 20 0 GHADLP C[C@@H]([NH2+]C1CCC(C(=O)N2CCSCC2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156011378 868219492 /nfs/dbraw/zinc/21/94/92/868219492.db2.gz FBWNOCRQPLWRPJ-QHGAOEGBSA-N 2 2 398.576 3.657 20 0 GHADLP C[C@H](CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000156212662 868289095 /nfs/dbraw/zinc/28/90/95/868289095.db2.gz YHMZKJUGNXKDBB-SJORKVTESA-N 2 2 392.540 3.790 20 0 GHADLP C[C@H](CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000156212662 868289100 /nfs/dbraw/zinc/28/91/00/868289100.db2.gz YHMZKJUGNXKDBB-SJORKVTESA-N 2 2 392.540 3.790 20 0 GHADLP C[NH+](C)Cc1cccc(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)c1 ZINC000535188019 868304525 /nfs/dbraw/zinc/30/45/25/868304525.db2.gz XRLKJHLMOLCSTI-UHFFFAOYSA-N 2 2 390.318 3.926 20 0 GHADLP Cc1cn2cc(NC(=O)NCC3CC[NH+](Cc4cccs4)CC3)ccc2[nH+]1 ZINC000524127346 868577531 /nfs/dbraw/zinc/57/75/31/868577531.db2.gz NXJMJJPGCSEHLE-UHFFFAOYSA-N 2 2 383.521 3.738 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)C1CC1 ZINC000479881300 868649819 /nfs/dbraw/zinc/64/98/19/868649819.db2.gz HNYCFWNDEVXVPV-JOCHJYFZSA-N 2 2 385.596 3.914 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)C1CC1 ZINC000479881300 868649831 /nfs/dbraw/zinc/64/98/31/868649831.db2.gz HNYCFWNDEVXVPV-JOCHJYFZSA-N 2 2 385.596 3.914 20 0 GHADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000554123633 868787777 /nfs/dbraw/zinc/78/77/77/868787777.db2.gz NZZNGYOFBKATQE-QPPBQGQZSA-N 2 2 391.559 3.774 20 0 GHADLP C[NH+](C)CC1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000524370128 868995233 /nfs/dbraw/zinc/99/52/33/868995233.db2.gz WPCHULITUCZIBC-UHFFFAOYSA-N 2 2 377.838 3.571 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000524474467 869133418 /nfs/dbraw/zinc/13/34/18/869133418.db2.gz UONYHOWKHUUYQU-SFTDATJTSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000524474467 869133423 /nfs/dbraw/zinc/13/34/23/869133423.db2.gz UONYHOWKHUUYQU-SFTDATJTSA-N 2 2 385.939 3.724 20 0 GHADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000524748475 869522632 /nfs/dbraw/zinc/52/26/32/869522632.db2.gz OBIZFJQPLLTCFL-NRFANRHFSA-N 2 2 390.531 3.556 20 0 GHADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000524748475 869522638 /nfs/dbraw/zinc/52/26/38/869522638.db2.gz OBIZFJQPLLTCFL-NRFANRHFSA-N 2 2 390.531 3.556 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000462779724 870052495 /nfs/dbraw/zinc/05/24/95/870052495.db2.gz UFINELNAQWJFSS-CQSZACIVSA-N 2 2 383.330 3.517 20 0 GHADLP COC(=O)c1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n(C)c1C ZINC000462905260 870346018 /nfs/dbraw/zinc/34/60/18/870346018.db2.gz HNEZOYZLBCXFNV-NRFANRHFSA-N 2 2 383.536 3.510 20 0 GHADLP COC(=O)c1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n(C)c1C ZINC000462905260 870346026 /nfs/dbraw/zinc/34/60/26/870346026.db2.gz HNEZOYZLBCXFNV-NRFANRHFSA-N 2 2 383.536 3.510 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000248392273 870358767 /nfs/dbraw/zinc/35/87/67/870358767.db2.gz FEYIBRIFYQVWPI-BRLLKYFNSA-N 2 2 387.474 3.650 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000248392273 870358781 /nfs/dbraw/zinc/35/87/81/870358781.db2.gz FEYIBRIFYQVWPI-BRLLKYFNSA-N 2 2 387.474 3.650 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)n(C)c1C ZINC000462947363 870477066 /nfs/dbraw/zinc/47/70/66/870477066.db2.gz LSMVUCNUCOVEHQ-XMMPIXPASA-N 2 2 395.547 3.608 20 0 GHADLP COC(=O)c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)n(C)c1C ZINC000462947363 870477084 /nfs/dbraw/zinc/47/70/84/870477084.db2.gz LSMVUCNUCOVEHQ-XMMPIXPASA-N 2 2 395.547 3.608 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n(C)c1C ZINC000462947363 870477101 /nfs/dbraw/zinc/47/71/01/870477101.db2.gz LSMVUCNUCOVEHQ-XMMPIXPASA-N 2 2 395.547 3.608 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n(C)c1C ZINC000462947363 870477114 /nfs/dbraw/zinc/47/71/14/870477114.db2.gz LSMVUCNUCOVEHQ-XMMPIXPASA-N 2 2 395.547 3.608 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CCCS2 ZINC000446835528 870517149 /nfs/dbraw/zinc/51/71/49/870517149.db2.gz OYEXGFHIWLMXHQ-GGAORHGYSA-N 2 2 398.572 3.849 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CCCS2 ZINC000446835528 870517357 /nfs/dbraw/zinc/51/73/57/870517357.db2.gz OYEXGFHIWLMXHQ-GGAORHGYSA-N 2 2 398.572 3.849 20 0 GHADLP CN(C(=O)c1csc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248724016 870608738 /nfs/dbraw/zinc/60/87/38/870608738.db2.gz UGEPBMIAPUIABR-DLBZAZTESA-N 2 2 383.989 3.811 20 0 GHADLP CN(C(=O)c1csc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248724016 870608742 /nfs/dbraw/zinc/60/87/42/870608742.db2.gz UGEPBMIAPUIABR-DLBZAZTESA-N 2 2 383.989 3.811 20 0 GHADLP COCCN(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000191348914 882433032 /nfs/dbraw/zinc/43/30/32/882433032.db2.gz PKFODRLLVJBPPS-REWPJTCUSA-N 2 2 396.579 3.649 20 0 GHADLP COCCN(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000191348914 882433036 /nfs/dbraw/zinc/43/30/36/882433036.db2.gz PKFODRLLVJBPPS-REWPJTCUSA-N 2 2 396.579 3.649 20 0 GHADLP COCCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000191348914 882433040 /nfs/dbraw/zinc/43/30/40/882433040.db2.gz PKFODRLLVJBPPS-REWPJTCUSA-N 2 2 396.579 3.649 20 0 GHADLP COCCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000191348914 882433046 /nfs/dbraw/zinc/43/30/46/882433046.db2.gz PKFODRLLVJBPPS-REWPJTCUSA-N 2 2 396.579 3.649 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000249409448 870824110 /nfs/dbraw/zinc/82/41/10/870824110.db2.gz DYAKDTFJCSSQHA-GHTZIAJQSA-N 2 2 389.584 3.649 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000249409448 870824121 /nfs/dbraw/zinc/82/41/21/870824121.db2.gz DYAKDTFJCSSQHA-GHTZIAJQSA-N 2 2 389.584 3.649 20 0 GHADLP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000463071655 870834877 /nfs/dbraw/zinc/83/48/77/870834877.db2.gz ADMZIPATLDIJBO-NHTMILBNSA-N 2 2 390.575 3.719 20 0 GHADLP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000463071655 870834891 /nfs/dbraw/zinc/83/48/91/870834891.db2.gz ADMZIPATLDIJBO-NHTMILBNSA-N 2 2 390.575 3.719 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2nc3ccc(Br)cc3o2)C[C@H]1n1cc[nH+]c1 ZINC000463112969 870912340 /nfs/dbraw/zinc/91/23/40/870912340.db2.gz ATYANPSNWHDOHZ-IUODEOHRSA-N 2 2 375.270 3.870 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3o2)C[C@H]1n1cc[nH+]c1 ZINC000463112969 870912344 /nfs/dbraw/zinc/91/23/44/870912344.db2.gz ATYANPSNWHDOHZ-IUODEOHRSA-N 2 2 375.270 3.870 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000429716722 871038288 /nfs/dbraw/zinc/03/82/88/871038288.db2.gz KOOPUCKRJUPOPO-DEOSSOPVSA-N 3 2 387.612 3.721 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000429716722 871038308 /nfs/dbraw/zinc/03/83/08/871038308.db2.gz KOOPUCKRJUPOPO-DEOSSOPVSA-N 3 2 387.612 3.721 20 0 GHADLP CCCC[NH+](C)CC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429716722 871038332 /nfs/dbraw/zinc/03/83/32/871038332.db2.gz KOOPUCKRJUPOPO-DEOSSOPVSA-N 3 2 387.612 3.721 20 0 GHADLP CCCC[NH+](C)CC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429716722 871038350 /nfs/dbraw/zinc/03/83/50/871038350.db2.gz KOOPUCKRJUPOPO-DEOSSOPVSA-N 3 2 387.612 3.721 20 0 GHADLP C[N@H+](CCNC1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccc(F)cc1 ZINC000463190634 871092464 /nfs/dbraw/zinc/09/24/64/871092464.db2.gz JXAKZVVLYCVFOR-UHFFFAOYSA-N 2 2 387.518 3.693 20 0 GHADLP C[N@@H+](CCNC1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccc(F)cc1 ZINC000463190634 871092490 /nfs/dbraw/zinc/09/24/90/871092490.db2.gz JXAKZVVLYCVFOR-UHFFFAOYSA-N 2 2 387.518 3.693 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cncn1Cc1cccc(C(F)(F)F)c1)C2 ZINC001169118730 871208618 /nfs/dbraw/zinc/20/86/18/871208618.db2.gz MEWDXIYYIKGWDK-NNZMDNLPSA-N 2 2 378.442 3.665 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cncn1Cc1cccc(C(F)(F)F)c1)C2 ZINC001169118730 871208629 /nfs/dbraw/zinc/20/86/29/871208629.db2.gz MEWDXIYYIKGWDK-NNZMDNLPSA-N 2 2 378.442 3.665 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(F)c1 ZINC001193662919 871222606 /nfs/dbraw/zinc/22/26/06/871222606.db2.gz QGHUNKMHBVOFEN-MGPUTAFESA-N 2 2 389.902 3.918 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(F)c1 ZINC001193662919 871222618 /nfs/dbraw/zinc/22/26/18/871222618.db2.gz QGHUNKMHBVOFEN-MGPUTAFESA-N 2 2 389.902 3.918 20 0 GHADLP C[C@@H](C1CC1)[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1 ZINC000252009588 871247014 /nfs/dbraw/zinc/24/70/14/871247014.db2.gz RCOUOTBLFFEPET-IBGZPJMESA-N 2 2 397.588 3.693 20 0 GHADLP C[C@@H](C1CC1)[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1 ZINC000252009588 871247024 /nfs/dbraw/zinc/24/70/24/871247024.db2.gz RCOUOTBLFFEPET-IBGZPJMESA-N 2 2 397.588 3.693 20 0 GHADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539148475 871431619 /nfs/dbraw/zinc/43/16/19/871431619.db2.gz OLWRBUXEKFWQMJ-BBWFWOEESA-N 2 2 382.495 3.616 20 0 GHADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539148475 871431633 /nfs/dbraw/zinc/43/16/33/871431633.db2.gz OLWRBUXEKFWQMJ-BBWFWOEESA-N 2 2 382.495 3.616 20 0 GHADLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)c3ccc4ccccc4c3)CC2)cc1 ZINC000181728930 871432812 /nfs/dbraw/zinc/43/28/12/871432812.db2.gz TYAMHCHMBRGIGN-RUZDIDTESA-N 2 2 385.511 3.999 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(N[C@H](CCO)c3cccc4ccccc43)c2)C1 ZINC001169423666 871479971 /nfs/dbraw/zinc/47/99/71/871479971.db2.gz HUVKWPCZOZSEAE-HYBUGGRVSA-N 2 2 375.516 3.908 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(N[C@H](CCO)c3cccc4ccccc43)c2)C1 ZINC001169423666 871479976 /nfs/dbraw/zinc/47/99/76/871479976.db2.gz HUVKWPCZOZSEAE-HYBUGGRVSA-N 2 2 375.516 3.908 20 0 GHADLP Cc1cc(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)ccc1[NH+](C)C ZINC001169519497 871591376 /nfs/dbraw/zinc/59/13/76/871591376.db2.gz KGXSWTGSYJOERB-KNQAVFIVSA-N 2 2 381.520 3.932 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000462113674 871636870 /nfs/dbraw/zinc/63/68/70/871636870.db2.gz UIDKMMLJHFXPRS-GOSISDBHSA-N 2 2 395.385 3.785 20 0 GHADLP CCOC(=O)N1CCC[C@H]([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)CC1 ZINC001169664837 871733458 /nfs/dbraw/zinc/73/34/58/871733458.db2.gz SGCSLPYTWOGXJS-FQEVSTJZSA-N 2 2 391.531 3.699 20 0 GHADLP CC[N@H+](Cc1cc2n(n1)CCC2)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000649561919 871797449 /nfs/dbraw/zinc/79/74/49/871797449.db2.gz OQPQEYSICRURKM-UHFFFAOYSA-N 2 2 382.556 3.542 20 0 GHADLP CC[N@@H+](Cc1cc2n(n1)CCC2)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000649561919 871797469 /nfs/dbraw/zinc/79/74/69/871797469.db2.gz OQPQEYSICRURKM-UHFFFAOYSA-N 2 2 382.556 3.542 20 0 GHADLP [NH3+]C1(c2ccccc2Cl)CC[NH+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169753060 871822780 /nfs/dbraw/zinc/82/27/80/871822780.db2.gz YEBUXCBEOOTPPI-LJQANCHMSA-N 2 2 397.950 3.895 20 0 GHADLP O=C(c1ccccc1)N1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001169753057 871823717 /nfs/dbraw/zinc/82/37/17/871823717.db2.gz XZKSJDUNNVVDDN-GOTSBHOMSA-N 2 2 377.532 3.545 20 0 GHADLP O=C(c1ccccc1)N1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC001169753057 871823732 /nfs/dbraw/zinc/82/37/32/871823732.db2.gz XZKSJDUNNVVDDN-GOTSBHOMSA-N 2 2 377.532 3.545 20 0 GHADLP Cn1c[nH+]cc1-c1cccc(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC001194908345 872025303 /nfs/dbraw/zinc/02/53/03/872025303.db2.gz CJRGOWMZLUFQSF-UHFFFAOYSA-N 2 2 390.487 3.814 20 0 GHADLP CN(C(=O)c1sccc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000552114849 872041870 /nfs/dbraw/zinc/04/18/70/872041870.db2.gz ASGLZPQBDZFOOG-IAGOWNOFSA-N 2 2 383.989 3.811 20 0 GHADLP CN(C(=O)c1sccc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000552114849 872041892 /nfs/dbraw/zinc/04/18/92/872041892.db2.gz ASGLZPQBDZFOOG-IAGOWNOFSA-N 2 2 383.989 3.811 20 0 GHADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC(=O)N(C)C)CCCO2 ZINC000552099705 872057731 /nfs/dbraw/zinc/05/77/31/872057731.db2.gz QTXPMONKJLYBOH-GFSYIJCISA-N 2 2 399.579 3.697 20 0 GHADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC(=O)N(C)C)CCCO2 ZINC000552099705 872057752 /nfs/dbraw/zinc/05/77/52/872057752.db2.gz QTXPMONKJLYBOH-GFSYIJCISA-N 2 2 399.579 3.697 20 0 GHADLP C[NH+](C)[C@H](C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)c1cccc(Cl)c1 ZINC000447728064 872168356 /nfs/dbraw/zinc/16/83/56/872168356.db2.gz KXUZYSRPCCGTFJ-OALUTQOASA-N 2 2 387.911 3.967 20 0 GHADLP Cc1ccc(N2CCC(C(=O)N[C@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)CC2)[nH+]c1 ZINC000619029080 872244978 /nfs/dbraw/zinc/24/49/78/872244978.db2.gz ITFQOJDCXXGJKP-KNQAVFIVSA-N 2 2 392.547 3.558 20 0 GHADLP Cc1ccc(N2CCC(C(=O)N[C@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)CC2)[nH+]c1 ZINC000619029080 872244994 /nfs/dbraw/zinc/24/49/94/872244994.db2.gz ITFQOJDCXXGJKP-KNQAVFIVSA-N 2 2 392.547 3.558 20 0 GHADLP CC(C)S(=O)(=O)c1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000541056656 872810858 /nfs/dbraw/zinc/81/08/58/872810858.db2.gz IQNWDDBKPGZYDA-UHFFFAOYSA-N 2 2 392.609 3.957 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000921200925 882665606 /nfs/dbraw/zinc/66/56/06/882665606.db2.gz COSJIHOUTOIGRI-JOCHJYFZSA-N 2 2 391.519 3.755 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001170444971 882665823 /nfs/dbraw/zinc/66/58/23/882665823.db2.gz UVZGTLWGYDVKCT-PKOBYXMFSA-N 2 2 398.551 3.850 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001170444971 882665828 /nfs/dbraw/zinc/66/58/28/882665828.db2.gz UVZGTLWGYDVKCT-PKOBYXMFSA-N 2 2 398.551 3.850 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001170444971 882665833 /nfs/dbraw/zinc/66/58/33/882665833.db2.gz UVZGTLWGYDVKCT-PKOBYXMFSA-N 2 2 398.551 3.850 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001170444971 882665838 /nfs/dbraw/zinc/66/58/38/882665838.db2.gz UVZGTLWGYDVKCT-PKOBYXMFSA-N 2 2 398.551 3.850 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000152920770 872973142 /nfs/dbraw/zinc/97/31/42/872973142.db2.gz QNTABKJLGSCXPX-KXBFYZLASA-N 2 2 397.548 3.905 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(C(F)(F)F)co3)C2)ccn1 ZINC001196392804 873070150 /nfs/dbraw/zinc/07/01/50/873070150.db2.gz JULDTTPLGHSIRG-QGZVFWFLSA-N 2 2 383.414 3.798 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(C(F)(F)F)co3)C2)ccn1 ZINC001196392804 873070167 /nfs/dbraw/zinc/07/01/67/873070167.db2.gz JULDTTPLGHSIRG-QGZVFWFLSA-N 2 2 383.414 3.798 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(C(F)(F)F)co3)C2)ccn1 ZINC001196392804 873070182 /nfs/dbraw/zinc/07/01/82/873070182.db2.gz JULDTTPLGHSIRG-QGZVFWFLSA-N 2 2 383.414 3.798 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(C(F)(F)F)co3)C2)ccn1 ZINC001196392804 873070199 /nfs/dbraw/zinc/07/01/99/873070199.db2.gz JULDTTPLGHSIRG-QGZVFWFLSA-N 2 2 383.414 3.798 20 0 GHADLP CC1(C)CC([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CC(C)(C)N1O ZINC001169982438 873086497 /nfs/dbraw/zinc/08/64/97/873086497.db2.gz MIIQEVIANDUKTB-BBITVKMKSA-N 2 2 391.559 3.974 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000448260149 873137868 /nfs/dbraw/zinc/13/78/68/873137868.db2.gz JQDAXBFNKKNIDX-PCCBWWKXSA-N 2 2 395.551 3.531 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000448260149 873137875 /nfs/dbraw/zinc/13/78/75/873137875.db2.gz JQDAXBFNKKNIDX-PCCBWWKXSA-N 2 2 395.551 3.531 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]Cc3ccccc3C[NH+]3CCCCC3)cs2)cn1 ZINC000527631888 873383091 /nfs/dbraw/zinc/38/30/91/873383091.db2.gz DGLGQDPBCUTTML-UHFFFAOYSA-N 2 2 381.549 3.819 20 0 GHADLP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)ccc1OCc1ccncc1 ZINC000527808001 873594220 /nfs/dbraw/zinc/59/42/20/873594220.db2.gz OUJRWNIIBHDNPP-NRFANRHFSA-N 2 2 381.520 3.776 20 0 GHADLP COc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)ccc1OCc1ccncc1 ZINC000527808001 873594226 /nfs/dbraw/zinc/59/42/26/873594226.db2.gz OUJRWNIIBHDNPP-NRFANRHFSA-N 2 2 381.520 3.776 20 0 GHADLP C[C@H](CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[NH+]1CCCCC1 ZINC000541462407 873608660 /nfs/dbraw/zinc/60/86/60/873608660.db2.gz YCIKLNRKIGMXFH-GOSISDBHSA-N 2 2 393.535 3.988 20 0 GHADLP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000541467478 873624133 /nfs/dbraw/zinc/62/41/33/873624133.db2.gz WMWNAYLXRDWTHM-HXUWFJFHSA-N 2 2 398.595 3.970 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527888802 873718871 /nfs/dbraw/zinc/71/88/71/873718871.db2.gz VPNVNZXSZYPEGO-GCJKJVERSA-N 2 2 390.531 3.505 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527888802 873718878 /nfs/dbraw/zinc/71/88/78/873718878.db2.gz VPNVNZXSZYPEGO-GCJKJVERSA-N 2 2 390.531 3.505 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc(-c2ccccc2)n(C)n1 ZINC000527879010 873742277 /nfs/dbraw/zinc/74/22/77/873742277.db2.gz CQZFBBPFPYWZKH-XLIONFOSSA-N 2 2 390.535 3.796 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1OC ZINC000527948532 873794531 /nfs/dbraw/zinc/79/45/31/873794531.db2.gz LTMKELDTQYAHNH-PXNSSMCTSA-N 2 2 376.541 3.778 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1OC ZINC000527948532 873794537 /nfs/dbraw/zinc/79/45/37/873794537.db2.gz LTMKELDTQYAHNH-PXNSSMCTSA-N 2 2 376.541 3.778 20 0 GHADLP COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000541534821 873823521 /nfs/dbraw/zinc/82/35/21/873823521.db2.gz XSPCMBHIIUESJV-GHTZIAJQSA-N 2 2 382.508 3.520 20 0 GHADLP COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000541534821 873823529 /nfs/dbraw/zinc/82/35/29/873823529.db2.gz XSPCMBHIIUESJV-GHTZIAJQSA-N 2 2 382.508 3.520 20 0 GHADLP COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000541534824 873824288 /nfs/dbraw/zinc/82/42/88/873824288.db2.gz XSPCMBHIIUESJV-WIYYLYMNSA-N 2 2 382.508 3.520 20 0 GHADLP COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000541534824 873824297 /nfs/dbraw/zinc/82/42/97/873824297.db2.gz XSPCMBHIIUESJV-WIYYLYMNSA-N 2 2 382.508 3.520 20 0 GHADLP COc1ccc([C@@H](C)N(C)C(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)cc1 ZINC001198018681 874166334 /nfs/dbraw/zinc/16/63/34/874166334.db2.gz KEZWIGXUUXWSMO-LJQANCHMSA-N 2 2 397.563 3.912 20 0 GHADLP COc1ccc([C@@H](C)N(C)C(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)cc1 ZINC001198018681 874166347 /nfs/dbraw/zinc/16/63/47/874166347.db2.gz KEZWIGXUUXWSMO-LJQANCHMSA-N 2 2 397.563 3.912 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccccc2-c2cnco2)cc1 ZINC001198021742 874184093 /nfs/dbraw/zinc/18/40/93/874184093.db2.gz NFOAQZLBANTCDC-UHFFFAOYSA-N 2 2 392.503 3.977 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccccc2-c2cnco2)cc1 ZINC001198021742 874184096 /nfs/dbraw/zinc/18/40/96/874184096.db2.gz NFOAQZLBANTCDC-UHFFFAOYSA-N 2 2 392.503 3.977 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC001198122235 874242972 /nfs/dbraw/zinc/24/29/72/874242972.db2.gz BZEIEAQMNBQMHI-NRFANRHFSA-N 2 2 375.516 3.750 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC001198122235 874242982 /nfs/dbraw/zinc/24/29/82/874242982.db2.gz BZEIEAQMNBQMHI-NRFANRHFSA-N 2 2 375.516 3.750 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC001198122235 874242990 /nfs/dbraw/zinc/24/29/90/874242990.db2.gz BZEIEAQMNBQMHI-NRFANRHFSA-N 2 2 375.516 3.750 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC001198122235 874243002 /nfs/dbraw/zinc/24/30/02/874243002.db2.gz BZEIEAQMNBQMHI-NRFANRHFSA-N 2 2 375.516 3.750 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000464780940 874479424 /nfs/dbraw/zinc/47/94/24/874479424.db2.gz UMILEYKAHZQRNA-ZCNNSNEGSA-N 2 2 385.596 3.795 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000464780940 874479433 /nfs/dbraw/zinc/47/94/33/874479433.db2.gz UMILEYKAHZQRNA-ZCNNSNEGSA-N 2 2 385.596 3.795 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCS(=O)(=O)c2ccccc2)CC1 ZINC000449093580 874495609 /nfs/dbraw/zinc/49/56/09/874495609.db2.gz PCMCQEHVZMZDOU-UHFFFAOYSA-N 2 2 380.598 3.729 20 0 GHADLP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000528398037 874514949 /nfs/dbraw/zinc/51/49/49/874514949.db2.gz SFSSPKBULMZMFG-NJDAHSKKSA-N 2 2 380.536 3.664 20 0 GHADLP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000528398037 874514958 /nfs/dbraw/zinc/51/49/58/874514958.db2.gz SFSSPKBULMZMFG-NJDAHSKKSA-N 2 2 380.536 3.664 20 0 GHADLP COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000192190990 882838151 /nfs/dbraw/zinc/83/81/51/882838151.db2.gz VXLLVESABVPVGA-QGZVFWFLSA-N 2 2 379.460 3.583 20 0 GHADLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000464846713 874628698 /nfs/dbraw/zinc/62/86/98/874628698.db2.gz SVWYQHVNZTXAPU-GGAORHGYSA-N 2 2 377.532 3.636 20 0 GHADLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000464846713 874628702 /nfs/dbraw/zinc/62/87/02/874628702.db2.gz SVWYQHVNZTXAPU-GGAORHGYSA-N 2 2 377.532 3.636 20 0 GHADLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000464846713 874628706 /nfs/dbraw/zinc/62/87/06/874628706.db2.gz SVWYQHVNZTXAPU-GGAORHGYSA-N 2 2 377.532 3.636 20 0 GHADLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000464846713 874628713 /nfs/dbraw/zinc/62/87/13/874628713.db2.gz SVWYQHVNZTXAPU-GGAORHGYSA-N 2 2 377.532 3.636 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H]3CCN(C4CCCCC4)C3=O)C2)s1 ZINC000528496985 874630513 /nfs/dbraw/zinc/63/05/13/874630513.db2.gz LKFONVRVXSXFJJ-WIYYLYMNSA-N 2 2 389.609 3.744 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H]3CCN(C4CCCCC4)C3=O)C2)s1 ZINC000528496985 874630520 /nfs/dbraw/zinc/63/05/20/874630520.db2.gz LKFONVRVXSXFJJ-WIYYLYMNSA-N 2 2 389.609 3.744 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H]3CCN(C4CCCCC4)C3=O)C2)s1 ZINC000528496985 874630527 /nfs/dbraw/zinc/63/05/27/874630527.db2.gz LKFONVRVXSXFJJ-WIYYLYMNSA-N 2 2 389.609 3.744 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H]3CCN(C4CCCCC4)C3=O)C2)s1 ZINC000528496985 874630534 /nfs/dbraw/zinc/63/05/34/874630534.db2.gz LKFONVRVXSXFJJ-WIYYLYMNSA-N 2 2 389.609 3.744 20 0 GHADLP CC(C)c1ccc2c(c1)CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001198845339 874651920 /nfs/dbraw/zinc/65/19/20/874651920.db2.gz ZBGALONLGKEZPW-QHCPKHFHSA-N 2 2 379.548 3.587 20 0 GHADLP CC(C)c1ccc2c(c1)CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001198845339 874651929 /nfs/dbraw/zinc/65/19/29/874651929.db2.gz ZBGALONLGKEZPW-QHCPKHFHSA-N 2 2 379.548 3.587 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449286360 874671549 /nfs/dbraw/zinc/67/15/49/874671549.db2.gz HGIPIWBYWAEULX-UHFFFAOYSA-N 2 2 380.467 3.973 20 0 GHADLP C[NH+](C)Cc1nc(CSCCNc2ccc([C@H]3CCC[NH2+]3)cc2)cs1 ZINC001168108099 874684358 /nfs/dbraw/zinc/68/43/58/874684358.db2.gz GEQXGKRVZHUIQE-GOSISDBHSA-N 2 2 376.595 3.975 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cc(F)c(F)c(F)c3)CC2)cc1 ZINC000449522239 874995535 /nfs/dbraw/zinc/99/55/35/874995535.db2.gz IPFJEKKYHJMEAW-UHFFFAOYSA-N 2 2 391.437 3.817 20 0 GHADLP C[C@H]1CC(F)(F)CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000528764403 875007165 /nfs/dbraw/zinc/00/71/65/875007165.db2.gz DWYWZPQNOZSMFE-MAUKXSAKSA-N 2 2 399.913 3.713 20 0 GHADLP C[C@H]1CC(F)(F)CC[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000528764403 875007172 /nfs/dbraw/zinc/00/71/72/875007172.db2.gz DWYWZPQNOZSMFE-MAUKXSAKSA-N 2 2 399.913 3.713 20 0 GHADLP C[C@@H](C(=O)N1CCSc2ccccc21)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542132165 875030523 /nfs/dbraw/zinc/03/05/23/875030523.db2.gz MTPUHSNULZCURG-SFHVURJKSA-N 2 2 398.576 3.903 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)CC(F)(F)F ZINC001199609457 875076057 /nfs/dbraw/zinc/07/60/57/875076057.db2.gz RSRTVGYZFAKUSL-UONOGXRCSA-N 2 2 392.466 3.733 20 0 GHADLP Cn1cc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c(-c2ccccc2)n1 ZINC000771841792 875481585 /nfs/dbraw/zinc/48/15/85/875481585.db2.gz KVMSTDNGUSYRPK-UHFFFAOYSA-N 2 2 389.547 3.912 20 0 GHADLP C[NH+]1CCC(CNC(=O)C2(c3ccccc3)CCCC2)([NH+]2CCCCC2)CC1 ZINC000172749530 875898413 /nfs/dbraw/zinc/89/84/13/875898413.db2.gz AANKBRCVXJYWKQ-UHFFFAOYSA-N 2 2 383.580 3.565 20 0 GHADLP C[NH+]1CCC(CNC(=O)CCCc2c[nH]c3ccccc23)([NH+]2CCCCC2)CC1 ZINC000172752634 875899911 /nfs/dbraw/zinc/89/99/11/875899911.db2.gz JLXKDLRKZUWBAV-UHFFFAOYSA-N 2 2 396.579 3.557 20 0 GHADLP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001202119398 876008815 /nfs/dbraw/zinc/00/88/15/876008815.db2.gz OFODRENAFVUBOX-GOSISDBHSA-N 2 2 386.561 3.970 20 0 GHADLP Cc1cc(NC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c[nH+]1 ZINC001202246171 876088880 /nfs/dbraw/zinc/08/88/80/876088880.db2.gz UASZZTNCAPQNFU-CALCHBBNSA-N 2 2 380.536 3.920 20 0 GHADLP Cc1cc(NC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)c[nH+]1 ZINC001202246171 876088892 /nfs/dbraw/zinc/08/88/92/876088892.db2.gz UASZZTNCAPQNFU-CALCHBBNSA-N 2 2 380.536 3.920 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(OC)cc(C(F)(F)F)c3)CC2)CC1 ZINC000529610964 876374999 /nfs/dbraw/zinc/37/49/99/876374999.db2.gz HHKCMFWPDGGPDF-UHFFFAOYSA-N 2 2 399.501 3.706 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(OC)cc(C(F)(F)F)c3)CC2)CC1 ZINC000529610964 876375009 /nfs/dbraw/zinc/37/50/09/876375009.db2.gz HHKCMFWPDGGPDF-UHFFFAOYSA-N 2 2 399.501 3.706 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(OC)cc(C(F)(F)F)c3)CC2)CC1 ZINC000529610964 876375013 /nfs/dbraw/zinc/37/50/13/876375013.db2.gz HHKCMFWPDGGPDF-UHFFFAOYSA-N 2 2 399.501 3.706 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(OC)cc(C(F)(F)F)c3)CC2)CC1 ZINC000529610964 876375023 /nfs/dbraw/zinc/37/50/23/876375023.db2.gz HHKCMFWPDGGPDF-UHFFFAOYSA-N 2 2 399.501 3.706 20 0 GHADLP C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000776430174 876469611 /nfs/dbraw/zinc/46/96/11/876469611.db2.gz IWKXZZXEPHFYJG-YHYXMXQVSA-N 2 2 394.450 3.604 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc2c(c1)CCCO2 ZINC000850427959 876911648 /nfs/dbraw/zinc/91/16/48/876911648.db2.gz ILHMGPCHAFDYLR-IBGZPJMESA-N 2 2 396.531 3.573 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000786777929 876931305 /nfs/dbraw/zinc/93/13/05/876931305.db2.gz BKHXFJNVNSAGRW-IAGOWNOFSA-N 2 2 375.476 3.814 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000786829550 876948276 /nfs/dbraw/zinc/94/82/76/876948276.db2.gz SXAFGYTXQRSHQG-UHFFFAOYSA-N 2 2 375.472 3.672 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000786829550 876948280 /nfs/dbraw/zinc/94/82/80/876948280.db2.gz SXAFGYTXQRSHQG-UHFFFAOYSA-N 2 2 375.472 3.672 20 0 GHADLP COC(=O)c1nc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)ccc1Cl ZINC000850512571 876983550 /nfs/dbraw/zinc/98/35/50/876983550.db2.gz HMGDXXNATJKSSD-KBXCAEBGSA-N 2 2 379.932 3.654 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1Cl ZINC000850514363 876984415 /nfs/dbraw/zinc/98/44/15/876984415.db2.gz SWAKFUXETLWIDG-CYBMUJFWSA-N 2 2 384.867 3.867 20 0 GHADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2nccc(OC)c2F)ccc1OC ZINC000850536081 877005629 /nfs/dbraw/zinc/00/56/29/877005629.db2.gz BPBGBIPGVWRZLJ-OAHLLOKOSA-N 2 2 375.488 3.931 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(Br)nn2C)CC1 ZINC000787201650 877248231 /nfs/dbraw/zinc/24/82/31/877248231.db2.gz KQXALUMXXCLTBJ-HNNXBMFYSA-N 2 2 383.378 3.659 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(Br)nn2C)CC1 ZINC000787201650 877248246 /nfs/dbraw/zinc/24/82/46/877248246.db2.gz KQXALUMXXCLTBJ-HNNXBMFYSA-N 2 2 383.378 3.659 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000787311383 877337598 /nfs/dbraw/zinc/33/75/98/877337598.db2.gz WDNLROLVKKEYDW-UIAACRFSSA-N 2 2 393.453 3.634 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000787311383 877337609 /nfs/dbraw/zinc/33/76/09/877337609.db2.gz WDNLROLVKKEYDW-UIAACRFSSA-N 2 2 393.453 3.634 20 0 GHADLP COc1cccc(C[C@H]2CCC[N@@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000551694894 877658738 /nfs/dbraw/zinc/65/87/38/877658738.db2.gz FNZVJQSAPGKKPI-NOZRDPDXSA-N 2 2 394.559 3.993 20 0 GHADLP COc1cccc(C[C@H]2CCC[N@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000551694894 877658740 /nfs/dbraw/zinc/65/87/40/877658740.db2.gz FNZVJQSAPGKKPI-NOZRDPDXSA-N 2 2 394.559 3.993 20 0 GHADLP COc1cccc(C[C@H]2CCC[NH+]2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000551694894 877658742 /nfs/dbraw/zinc/65/87/42/877658742.db2.gz FNZVJQSAPGKKPI-NOZRDPDXSA-N 2 2 394.559 3.993 20 0 GHADLP COc1cccc(C[C@H]2CCC[NH+]2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000551694894 877658745 /nfs/dbraw/zinc/65/87/45/877658745.db2.gz FNZVJQSAPGKKPI-NOZRDPDXSA-N 2 2 394.559 3.993 20 0 GHADLP C[C@@H]1C(=O)N(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)[C@@H]1c1ccccc1 ZINC000788381691 878044911 /nfs/dbraw/zinc/04/49/11/878044911.db2.gz GQUPQDUDNAATBC-UWJYYQICSA-N 2 2 378.520 3.576 20 0 GHADLP CC[N@H+](CCCC(=O)Nc1cc[nH+]c2c1CCC2)[C@H](C)Cc1ccc(OC)cc1 ZINC001183148213 912306106 /nfs/dbraw/zinc/30/61/06/912306106.db2.gz HMFRPIBFIVSKJO-GOSISDBHSA-N 2 2 395.547 3.673 20 0 GHADLP CC[N@@H+](CCCC(=O)Nc1cc[nH+]c2c1CCC2)[C@H](C)Cc1ccc(OC)cc1 ZINC001183148213 912306136 /nfs/dbraw/zinc/30/61/36/912306136.db2.gz HMFRPIBFIVSKJO-GOSISDBHSA-N 2 2 395.547 3.673 20 0 GHADLP CCOCN(C(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1c(C)cccc1CC ZINC000788485445 878097099 /nfs/dbraw/zinc/09/70/99/878097099.db2.gz KQIASJSKUZGCRH-RXVVDRJESA-N 2 2 398.551 3.664 20 0 GHADLP CCOCN(C(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1c(C)cccc1CC ZINC000788485445 878097123 /nfs/dbraw/zinc/09/71/23/878097123.db2.gz KQIASJSKUZGCRH-RXVVDRJESA-N 2 2 398.551 3.664 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC001170086924 878205886 /nfs/dbraw/zinc/20/58/86/878205886.db2.gz ZPSAFLIYHDAVKY-INIZCTEOSA-N 2 2 390.549 3.952 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC001170086924 878205905 /nfs/dbraw/zinc/20/59/05/878205905.db2.gz ZPSAFLIYHDAVKY-INIZCTEOSA-N 2 2 390.549 3.952 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC001170086924 878205924 /nfs/dbraw/zinc/20/59/24/878205924.db2.gz ZPSAFLIYHDAVKY-INIZCTEOSA-N 2 2 390.549 3.952 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001170086924 878205942 /nfs/dbraw/zinc/20/59/42/878205942.db2.gz ZPSAFLIYHDAVKY-INIZCTEOSA-N 2 2 390.549 3.952 20 0 GHADLP CN(C(=O)Cc1cccc(Cl)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245709257 878447265 /nfs/dbraw/zinc/44/72/65/878447265.db2.gz MZOLSMDGLAEOQQ-NHCUHLMSSA-N 2 2 391.987 3.678 20 0 GHADLP CN(C(=O)Cc1cccc(Cl)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245709257 878447274 /nfs/dbraw/zinc/44/72/74/878447274.db2.gz MZOLSMDGLAEOQQ-NHCUHLMSSA-N 2 2 391.987 3.678 20 0 GHADLP CCCC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)Nc1cc(C)on1 ZINC000177482934 878724162 /nfs/dbraw/zinc/72/41/62/878724162.db2.gz KKNCCRNMBZKRHE-IBGZPJMESA-N 2 2 376.545 3.867 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]C3(Cc4ccccc4)CCOCC3)C2)cc1 ZINC000451944551 878749723 /nfs/dbraw/zinc/74/97/23/878749723.db2.gz OXLKVQIMJWOVHB-XMMPIXPASA-N 2 2 394.559 3.659 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]C3(Cc4ccccc4)CCOCC3)C2)cc1 ZINC000451944551 878749731 /nfs/dbraw/zinc/74/97/31/878749731.db2.gz OXLKVQIMJWOVHB-XMMPIXPASA-N 2 2 394.559 3.659 20 0 GHADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000451994451 878821203 /nfs/dbraw/zinc/82/12/03/878821203.db2.gz VRVDAADNRGNZKJ-UHFFFAOYSA-N 2 2 376.932 3.501 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000246177738 879113817 /nfs/dbraw/zinc/11/38/17/879113817.db2.gz CYVUHRXAKYFREY-JYRKZWEQSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000246177738 879113838 /nfs/dbraw/zinc/11/38/38/879113838.db2.gz CYVUHRXAKYFREY-JYRKZWEQSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246450102 879575848 /nfs/dbraw/zinc/57/58/48/879575848.db2.gz DTOYKQXLKQLKFB-MMOPVJDHSA-N 2 2 389.971 3.808 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246450102 879575863 /nfs/dbraw/zinc/57/58/63/879575863.db2.gz DTOYKQXLKQLKFB-MMOPVJDHSA-N 2 2 389.971 3.808 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246450102 879575875 /nfs/dbraw/zinc/57/58/75/879575875.db2.gz DTOYKQXLKQLKFB-MMOPVJDHSA-N 2 2 389.971 3.808 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246450102 879575890 /nfs/dbraw/zinc/57/58/90/879575890.db2.gz DTOYKQXLKQLKFB-MMOPVJDHSA-N 2 2 389.971 3.808 20 0 GHADLP CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246542718 879666637 /nfs/dbraw/zinc/66/66/37/879666637.db2.gz JYUVUPXAZZOEJI-ZEYPLWLESA-N 2 2 387.543 3.588 20 0 GHADLP CC(C)[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246542718 879666642 /nfs/dbraw/zinc/66/66/42/879666642.db2.gz JYUVUPXAZZOEJI-ZEYPLWLESA-N 2 2 387.543 3.588 20 0 GHADLP CC(C)[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246542718 879666654 /nfs/dbraw/zinc/66/66/54/879666654.db2.gz JYUVUPXAZZOEJI-ZEYPLWLESA-N 2 2 387.543 3.588 20 0 GHADLP CC(C)[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246542718 879666664 /nfs/dbraw/zinc/66/66/64/879666664.db2.gz JYUVUPXAZZOEJI-ZEYPLWLESA-N 2 2 387.543 3.588 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000246928700 879853548 /nfs/dbraw/zinc/85/35/48/879853548.db2.gz HAUDDAWNZLLKIE-CEXWTWQISA-N 2 2 391.519 3.732 20 0 GHADLP Cc1nc2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)cc2s1 ZINC000494135040 879940070 /nfs/dbraw/zinc/94/00/70/879940070.db2.gz GRMHJBXVFMKBPH-UXHICEINSA-N 2 2 381.545 3.577 20 0 GHADLP Cc1nc2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)cc2s1 ZINC000494135040 879940077 /nfs/dbraw/zinc/94/00/77/879940077.db2.gz GRMHJBXVFMKBPH-UXHICEINSA-N 2 2 381.545 3.577 20 0 GHADLP CC(C)[C@@H](C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[NH+]1CCCCC1 ZINC000791269455 880294990 /nfs/dbraw/zinc/29/49/90/880294990.db2.gz CBWWJWSGPFZQMK-RXVVDRJESA-N 2 2 386.584 3.941 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000531685166 880316062 /nfs/dbraw/zinc/31/60/62/880316062.db2.gz MERDWKODIQJGAV-NEPJUHHUSA-N 2 2 388.821 3.951 20 0 GHADLP C[C@@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000531721305 880378808 /nfs/dbraw/zinc/37/88/08/880378808.db2.gz FHYFBLCOZVLDIE-HXUWFJFHSA-N 2 2 382.552 3.806 20 0 GHADLP COCCC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453084292 880441712 /nfs/dbraw/zinc/44/17/12/880441712.db2.gz DJHQSDMMSAKAPG-VXNXHJTFSA-N 3 2 385.596 3.520 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)[C@@H](C)C1 ZINC000453109290 880477657 /nfs/dbraw/zinc/47/76/57/880477657.db2.gz AGMYBKURYJCBKS-ZVDOUQERSA-N 2 2 384.568 3.875 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)[C@@H](C)C1 ZINC000453109290 880477661 /nfs/dbraw/zinc/47/76/61/880477661.db2.gz AGMYBKURYJCBKS-ZVDOUQERSA-N 2 2 384.568 3.875 20 0 GHADLP CC(C)Cc1cccc([C@H](C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000286130248 912581783 /nfs/dbraw/zinc/58/17/83/912581783.db2.gz WINIUXYIGQLPLR-IBGZPJMESA-N 2 2 385.596 3.663 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ncc(-c2ccccc2)n1C ZINC000453167492 880568233 /nfs/dbraw/zinc/56/82/33/880568233.db2.gz CSPDKDYBQKCHSL-FXAWDEMLSA-N 2 2 390.535 3.796 20 0 GHADLP CCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000531891671 880692316 /nfs/dbraw/zinc/69/23/16/880692316.db2.gz CHNWXEAECIBPGY-GHTZIAJQSA-N 2 2 391.519 3.701 20 0 GHADLP CCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000531891671 880692328 /nfs/dbraw/zinc/69/23/28/880692328.db2.gz CHNWXEAECIBPGY-GHTZIAJQSA-N 2 2 391.519 3.701 20 0 GHADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1sccc1Br ZINC000531952826 880812705 /nfs/dbraw/zinc/81/27/05/880812705.db2.gz PLEBXSTWQUCJDQ-CYBMUJFWSA-N 2 2 395.370 3.508 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn3cc(Cl)cc(Cl)c3n2)[C@H](C)C1 ZINC000187014402 881050195 /nfs/dbraw/zinc/05/01/95/881050195.db2.gz OBXGPEPKFHTHLC-RDTXWAMCSA-N 2 2 399.366 3.868 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn3cc(Cl)cc(Cl)c3n2)[C@H](C)C1 ZINC000187014402 881050204 /nfs/dbraw/zinc/05/02/04/881050204.db2.gz OBXGPEPKFHTHLC-RDTXWAMCSA-N 2 2 399.366 3.868 20 0 GHADLP COc1c(Br)cccc1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000187119158 881075139 /nfs/dbraw/zinc/07/51/39/881075139.db2.gz FHWNMMPEPZLHJW-UHFFFAOYSA-N 2 2 386.293 3.992 20 0 GHADLP Cc1cc(Br)c(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000453583185 881094454 /nfs/dbraw/zinc/09/44/54/881094454.db2.gz NITKTXWNDQRVSB-UHFFFAOYSA-N 2 2 395.366 3.941 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccnn1-c1ccccc1 ZINC000467348496 881134948 /nfs/dbraw/zinc/13/49/48/881134948.db2.gz GARRXCXLCXEJSL-FXAWDEMLSA-N 2 2 376.508 3.581 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000532154236 881262556 /nfs/dbraw/zinc/26/25/56/881262556.db2.gz ZKCHDOCGYPQSBO-NRFANRHFSA-N 2 2 384.499 3.776 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1NC(C)=O ZINC000181590479 883165740 /nfs/dbraw/zinc/16/57/40/883165740.db2.gz CZNQSHPYVDDTNY-DLBZAZTESA-N 2 2 396.535 3.925 20 0 GHADLP CCn1ccnc1[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CCOCC1 ZINC000551178396 883432422 /nfs/dbraw/zinc/43/24/22/883432422.db2.gz YLXJCKHZJLTKAV-BHDDXSALSA-N 2 2 382.552 3.796 20 0 GHADLP CCn1ccnc1[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CCOCC1 ZINC000551178396 883432427 /nfs/dbraw/zinc/43/24/27/883432427.db2.gz YLXJCKHZJLTKAV-BHDDXSALSA-N 2 2 382.552 3.796 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2cc(C(C)(C)C)no2)CC1 ZINC000476981180 883499428 /nfs/dbraw/zinc/49/94/28/883499428.db2.gz GWZSRRJPVCXBOJ-KRWDZBQOSA-N 2 2 390.572 3.887 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2cc(C(C)(C)C)no2)CC1 ZINC000476981180 883499432 /nfs/dbraw/zinc/49/94/32/883499432.db2.gz GWZSRRJPVCXBOJ-KRWDZBQOSA-N 2 2 390.572 3.887 20 0 GHADLP CN(C(=O)Cc1ccc(Cl)s1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000193866413 883548426 /nfs/dbraw/zinc/54/84/26/883548426.db2.gz VKXXJIXFHFHZIZ-ROUUACIJSA-N 2 2 398.016 3.740 20 0 GHADLP CN(C(=O)Cc1ccc(Cl)s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000193866413 883548434 /nfs/dbraw/zinc/54/84/34/883548434.db2.gz VKXXJIXFHFHZIZ-ROUUACIJSA-N 2 2 398.016 3.740 20 0 GHADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000522207025 883633950 /nfs/dbraw/zinc/63/39/50/883633950.db2.gz LHFASPXLFITPSE-LEWJYISDSA-N 2 2 397.588 3.838 20 0 GHADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000522207025 883633958 /nfs/dbraw/zinc/63/39/58/883633958.db2.gz LHFASPXLFITPSE-LEWJYISDSA-N 2 2 397.588 3.838 20 0 GHADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000522207025 883633964 /nfs/dbraw/zinc/63/39/64/883633964.db2.gz LHFASPXLFITPSE-LEWJYISDSA-N 2 2 397.588 3.838 20 0 GHADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000522207025 883633968 /nfs/dbraw/zinc/63/39/68/883633968.db2.gz LHFASPXLFITPSE-LEWJYISDSA-N 2 2 397.588 3.838 20 0 GHADLP COc1cc(-c2noc(C[N@H+](C)Cc3ccc(C[NH+](C)C)cc3)n2)ccc1C ZINC000859211873 883664586 /nfs/dbraw/zinc/66/45/86/883664586.db2.gz GXYCFSLWPXZAEM-UHFFFAOYSA-N 2 2 380.492 3.747 20 0 GHADLP COc1cc(-c2noc(C[N@@H+](C)Cc3ccc(C[NH+](C)C)cc3)n2)ccc1C ZINC000859211873 883664590 /nfs/dbraw/zinc/66/45/90/883664590.db2.gz GXYCFSLWPXZAEM-UHFFFAOYSA-N 2 2 380.492 3.747 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@@H](C)Cc3cccc(F)c3)CC2)cc1 ZINC001168469940 883741202 /nfs/dbraw/zinc/74/12/02/883741202.db2.gz VTJXQBFMFDOVKV-KRWDZBQOSA-N 2 2 384.495 3.798 20 0 GHADLP Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(-n2cc(Cl)cn2)n1 ZINC000190301811 884066006 /nfs/dbraw/zinc/06/60/06/884066006.db2.gz JESHMFISQWDJSH-UHFFFAOYSA-N 2 2 378.867 3.705 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000191945475 884223251 /nfs/dbraw/zinc/22/32/51/884223251.db2.gz ZQAPNLWXBWZLOQ-SFHVURJKSA-N 2 2 380.536 3.651 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455861698 884287120 /nfs/dbraw/zinc/28/71/20/884287120.db2.gz RIYSYELUCDFAKT-FQEVSTJZSA-N 2 2 383.540 3.939 20 0 GHADLP COc1cccc2cc(C[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)oc21 ZINC000914876739 885097452 /nfs/dbraw/zinc/09/74/52/885097452.db2.gz JRRZZIHEQQQYNW-UHFFFAOYSA-N 2 2 379.504 3.743 20 0 GHADLP COc1ccc([C@H]([NH3+])[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)c2ccc(OC)cc2)cc1 ZINC001168303777 885374921 /nfs/dbraw/zinc/37/49/21/885374921.db2.gz DDAKZFWDJISAMF-WVYIWEFDSA-N 3 2 397.563 3.907 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000532515379 885908646 /nfs/dbraw/zinc/90/86/46/885908646.db2.gz RXLPUNIIPHYRCU-HNNXBMFYSA-N 2 2 381.948 3.536 20 0 GHADLP O=C(c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1)N1CCCC1 ZINC000915226899 886067369 /nfs/dbraw/zinc/06/73/69/886067369.db2.gz HDLFIZUQIVOJGS-UHFFFAOYSA-N 2 2 378.451 3.537 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000119107680 886649471 /nfs/dbraw/zinc/64/94/71/886649471.db2.gz NQQDZLXQSFSJAB-XMSQKQJNSA-N 2 2 379.504 3.958 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000119107680 886649481 /nfs/dbraw/zinc/64/94/81/886649481.db2.gz NQQDZLXQSFSJAB-XMSQKQJNSA-N 2 2 379.504 3.958 20 0 GHADLP COc1cc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc(OC)c1OC ZINC000132170266 886714507 /nfs/dbraw/zinc/71/45/07/886714507.db2.gz PNPMJJPIAWTFLY-QGZVFWFLSA-N 2 2 395.503 3.851 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC000057613249 886770511 /nfs/dbraw/zinc/77/05/11/886770511.db2.gz MZOIVRYOKXNGPM-KRWDZBQOSA-N 2 2 376.545 3.503 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1C ZINC000057613249 886770524 /nfs/dbraw/zinc/77/05/24/886770524.db2.gz MZOIVRYOKXNGPM-KRWDZBQOSA-N 2 2 376.545 3.503 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000762749848 886792995 /nfs/dbraw/zinc/79/29/95/886792995.db2.gz TUWTYSAJDFWCLP-UAFMIMERSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000762749848 886793002 /nfs/dbraw/zinc/79/30/02/886793002.db2.gz TUWTYSAJDFWCLP-UAFMIMERSA-N 2 2 377.573 3.629 20 0 GHADLP O[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccc(F)cc1F ZINC000747532348 886867767 /nfs/dbraw/zinc/86/77/67/886867767.db2.gz WUBNMKGQSOXTDP-XZOQPEGZSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccc(F)cc1F ZINC000747532348 886867781 /nfs/dbraw/zinc/86/77/81/886867781.db2.gz WUBNMKGQSOXTDP-XZOQPEGZSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccc(F)cc1F ZINC000747532348 886867797 /nfs/dbraw/zinc/86/77/97/886867797.db2.gz WUBNMKGQSOXTDP-XZOQPEGZSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccc(F)cc1F ZINC000747532348 886867803 /nfs/dbraw/zinc/86/78/03/886867803.db2.gz WUBNMKGQSOXTDP-XZOQPEGZSA-N 2 2 386.486 3.986 20 0 GHADLP COc1cccc(-c2nn(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c(=S)o2)c1 ZINC000863263736 886977876 /nfs/dbraw/zinc/97/78/76/886977876.db2.gz VLRCSAUQMRFRKH-QGZVFWFLSA-N 2 2 388.537 3.502 20 0 GHADLP COc1cccc(-c2nn(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c(=S)o2)c1 ZINC000863263736 886977884 /nfs/dbraw/zinc/97/78/84/886977884.db2.gz VLRCSAUQMRFRKH-QGZVFWFLSA-N 2 2 388.537 3.502 20 0 GHADLP FC1(F)CCC(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000459331024 887434406 /nfs/dbraw/zinc/43/44/06/887434406.db2.gz UMIYCPPDBLCVJJ-HXUWFJFHSA-N 2 2 392.538 3.741 20 0 GHADLP FC1(F)CCC(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000459331024 887434419 /nfs/dbraw/zinc/43/44/19/887434419.db2.gz UMIYCPPDBLCVJJ-HXUWFJFHSA-N 2 2 392.538 3.741 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000026028251 887500818 /nfs/dbraw/zinc/50/08/18/887500818.db2.gz IHOWJVGEKBIQQA-UHFFFAOYSA-N 2 2 376.504 3.857 20 0 GHADLP Cc1ccc(NC(=O)Nc2cccc3c2CC[N@@H+](CCc2c[nH+]cn2C)C3)cc1 ZINC000459340357 887502482 /nfs/dbraw/zinc/50/24/82/887502482.db2.gz IRGDZPBFKZLJPM-UHFFFAOYSA-N 2 2 389.503 3.973 20 0 GHADLP Cc1ccc(NC(=O)Nc2cccc3c2CC[N@H+](CCc2c[nH+]cn2C)C3)cc1 ZINC000459340357 887502495 /nfs/dbraw/zinc/50/24/95/887502495.db2.gz IRGDZPBFKZLJPM-UHFFFAOYSA-N 2 2 389.503 3.973 20 0 GHADLP C[NH+](C)C1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)CC1 ZINC000193812460 887698976 /nfs/dbraw/zinc/69/89/76/887698976.db2.gz HKAKJSSRWJHOOA-QHCPKHFHSA-N 2 2 396.575 3.778 20 0 GHADLP Cc1ccc(N2CCC(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)CC2)[nH+]c1 ZINC000194121612 888055619 /nfs/dbraw/zinc/05/56/19/888055619.db2.gz IUYDMUVVPLJIJN-JOCHJYFZSA-N 2 2 392.547 3.560 20 0 GHADLP C[C@H]([NH2+]Cc1cnc(Cl)c(F)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000865451146 888360800 /nfs/dbraw/zinc/36/08/00/888360800.db2.gz ZGKWWCCOTWWODM-ZDUSSCGKSA-N 2 2 380.870 3.616 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(C)c1 ZINC000532753369 888882512 /nfs/dbraw/zinc/88/25/12/888882512.db2.gz HPCIXGSGVUDRPD-IRLDBZIGSA-N 2 2 395.551 3.511 20 0 GHADLP Clc1cccc(-n2cc(C[NH2+]CCCCNc3cccc[nH+]3)nn2)c1Cl ZINC000532847652 889120428 /nfs/dbraw/zinc/12/04/28/889120428.db2.gz MMEHJGQADDHDAF-UHFFFAOYSA-N 2 2 391.306 3.951 20 0 GHADLP [NH3+]CCN(c1cc[nH+]c(OCc2ccccn2)c1)C12CC3CC(CC(C3)C1)C2 ZINC001170631695 889431680 /nfs/dbraw/zinc/43/16/80/889431680.db2.gz UXLMBHAZHLGNTR-UHFFFAOYSA-N 2 2 378.520 3.790 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccc([S@@](C)=O)cc3)CC2)c1 ZINC000124543730 889669297 /nfs/dbraw/zinc/66/92/97/889669297.db2.gz LGJXXFIETQHGPZ-NGOKVRLYSA-N 2 2 399.604 3.595 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccc([S@](C)=O)cc3)CC2)c1 ZINC000124542953 889669453 /nfs/dbraw/zinc/66/94/53/889669453.db2.gz LGJXXFIETQHGPZ-WTYVLRPYSA-N 2 2 399.604 3.595 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000124627790 889701377 /nfs/dbraw/zinc/70/13/77/889701377.db2.gz YESYRJYHCYAXLS-WDSOQIARSA-N 2 2 377.598 3.647 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000124627790 889701393 /nfs/dbraw/zinc/70/13/93/889701393.db2.gz YESYRJYHCYAXLS-WDSOQIARSA-N 2 2 377.598 3.647 20 0 GHADLP CCCC(O)(CCC)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124625923 889701708 /nfs/dbraw/zinc/70/17/08/889701708.db2.gz ZGCJYGREWITCRB-SFTDATJTSA-N 2 2 395.632 3.503 20 0 GHADLP CCCC(O)(CCC)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124625923 889701721 /nfs/dbraw/zinc/70/17/21/889701721.db2.gz ZGCJYGREWITCRB-SFTDATJTSA-N 2 2 395.632 3.503 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000124800667 889767465 /nfs/dbraw/zinc/76/74/65/889767465.db2.gz AMBIPCOVMHHSRO-OALUTQOASA-N 2 2 377.598 3.774 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000124800667 889767474 /nfs/dbraw/zinc/76/74/74/889767474.db2.gz AMBIPCOVMHHSRO-OALUTQOASA-N 2 2 377.598 3.774 20 0 GHADLP CN(C(=O)CSc1ccccc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124812105 889773938 /nfs/dbraw/zinc/77/39/38/889773938.db2.gz XBUVXQTVASNKRD-SFTDATJTSA-N 2 2 389.609 3.574 20 0 GHADLP CN(C(=O)CSc1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124812105 889773945 /nfs/dbraw/zinc/77/39/45/889773945.db2.gz XBUVXQTVASNKRD-SFTDATJTSA-N 2 2 389.609 3.574 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)cc1F ZINC000124883681 889803253 /nfs/dbraw/zinc/80/32/53/889803253.db2.gz PUBYRUVLOUJPHA-LEWJYISDSA-N 2 2 393.522 3.682 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)cc1F ZINC000124883681 889803256 /nfs/dbraw/zinc/80/32/56/889803256.db2.gz PUBYRUVLOUJPHA-LEWJYISDSA-N 2 2 393.522 3.682 20 0 GHADLP COc1c[nH+]c(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)nc1NC1CC1 ZINC001170640574 889864606 /nfs/dbraw/zinc/86/46/06/889864606.db2.gz NARVSJSVCJYKEH-DXBWTPJFSA-N 2 2 393.535 3.692 20 0 GHADLP Cc1cc(C)c(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c[nH+]1 ZINC000454932105 890011741 /nfs/dbraw/zinc/01/17/41/890011741.db2.gz WSQJCKOKBMZPQO-NRFANRHFSA-N 2 2 380.536 3.798 20 0 GHADLP Cc1cc(C)c(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c[nH+]1 ZINC000454932105 890011754 /nfs/dbraw/zinc/01/17/54/890011754.db2.gz WSQJCKOKBMZPQO-NRFANRHFSA-N 2 2 380.536 3.798 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C[C@@H](c2cccc(Cl)c2)CC1=O ZINC000812286899 890502974 /nfs/dbraw/zinc/50/29/74/890502974.db2.gz GXUIRWXEQOZZNC-SFHVURJKSA-N 2 2 388.943 3.785 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C[C@@H](c2cccc(Cl)c2)CC1=O ZINC000812286899 890502982 /nfs/dbraw/zinc/50/29/82/890502982.db2.gz GXUIRWXEQOZZNC-SFHVURJKSA-N 2 2 388.943 3.785 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000533484839 890694918 /nfs/dbraw/zinc/69/49/18/890694918.db2.gz XGWBELNGJMFOCM-GOSISDBHSA-N 2 2 388.515 3.883 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C[N@@H+]1Cc1ccccc1 ZINC000533578630 890889848 /nfs/dbraw/zinc/88/98/48/890889848.db2.gz KODAOLXEOUVJBT-HLAWJBBLSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C[N@H+]1Cc1ccccc1 ZINC000533578630 890889859 /nfs/dbraw/zinc/88/98/59/890889859.db2.gz KODAOLXEOUVJBT-HLAWJBBLSA-N 2 2 395.551 3.599 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170684856 890899728 /nfs/dbraw/zinc/89/97/28/890899728.db2.gz GBJBHSSJLXNHTL-UEVCKROQSA-N 2 2 386.486 3.701 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170684856 890899746 /nfs/dbraw/zinc/89/97/46/890899746.db2.gz GBJBHSSJLXNHTL-UEVCKROQSA-N 2 2 386.486 3.701 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3([C@@H](O)c4ccccc4)CC3)CC2)cc1 ZINC000812840066 891029036 /nfs/dbraw/zinc/02/90/36/891029036.db2.gz QXPYTBVCLTVSIM-QHCPKHFHSA-N 2 2 379.548 3.825 20 0 GHADLP Cc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)[NH+]2CCCC2)o1 ZINC000247148566 891349224 /nfs/dbraw/zinc/34/92/24/891349224.db2.gz WUBGTTCTUTUETB-COPCDDAFSA-N 2 2 382.552 3.620 20 0 GHADLP Cc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)[NH+]2CCCC2)o1 ZINC000247148566 891349245 /nfs/dbraw/zinc/34/92/45/891349245.db2.gz WUBGTTCTUTUETB-COPCDDAFSA-N 2 2 382.552 3.620 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247230955 891357689 /nfs/dbraw/zinc/35/76/89/891357689.db2.gz YMSNMZHFUPKQMY-GUDVDZBRSA-N 2 2 375.582 3.750 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247230955 891357706 /nfs/dbraw/zinc/35/77/06/891357706.db2.gz YMSNMZHFUPKQMY-GUDVDZBRSA-N 2 2 375.582 3.750 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000248054537 891407455 /nfs/dbraw/zinc/40/74/55/891407455.db2.gz XAYFUOJAYUJDEC-BAGYTPMASA-N 2 2 382.552 3.702 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000248054537 891407462 /nfs/dbraw/zinc/40/74/62/891407462.db2.gz XAYFUOJAYUJDEC-BAGYTPMASA-N 2 2 382.552 3.702 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000813328750 891511584 /nfs/dbraw/zinc/51/15/84/891511584.db2.gz NHXONOWWCMQLTH-YOSAUDMPSA-N 2 2 378.564 3.860 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000813328750 891511589 /nfs/dbraw/zinc/51/15/89/891511589.db2.gz NHXONOWWCMQLTH-YOSAUDMPSA-N 2 2 378.564 3.860 20 0 GHADLP Cc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000237406892 891678406 /nfs/dbraw/zinc/67/84/06/891678406.db2.gz SJEZJVDCKPMJMN-NHCUHLMSSA-N 2 2 397.563 3.866 20 0 GHADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCCO2 ZINC000162029429 892020939 /nfs/dbraw/zinc/02/09/39/892020939.db2.gz VSKBOGFMLKETOD-JOCHJYFZSA-N 2 2 396.531 3.710 20 0 GHADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[NH+](C)C ZINC000497618830 892022597 /nfs/dbraw/zinc/02/25/97/892022597.db2.gz BZDJLOACRCBADV-PGRDOPGGSA-N 2 2 391.519 3.671 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000813858396 892028439 /nfs/dbraw/zinc/02/84/39/892028439.db2.gz ZBCGGMDQBQEAQJ-SFHVURJKSA-N 2 2 394.563 3.774 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc2ccccc2o1 ZINC000162045616 892045658 /nfs/dbraw/zinc/04/56/58/892045658.db2.gz KGSXVCJUIMIGNL-GOSISDBHSA-N 2 2 380.488 3.995 20 0 GHADLP Fc1cc(-c2ccccc2)ccc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261630480 892049907 /nfs/dbraw/zinc/04/99/07/892049907.db2.gz CIYIDVSDDZYMKR-UHFFFAOYSA-N 2 2 391.494 3.567 20 0 GHADLP O=C(CCC1CC[NH2+]CC1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000263067981 892420934 /nfs/dbraw/zinc/42/09/34/892420934.db2.gz WDWBCKMNMLCLNL-GOSISDBHSA-N 2 2 381.923 3.512 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cn2c3c(sc2=O)CCCC3)CC1 ZINC000125525151 892751841 /nfs/dbraw/zinc/75/18/41/892751841.db2.gz HFVAHJPLDSGFHE-KRWDZBQOSA-N 2 2 377.598 3.723 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cn2c3c(sc2=O)CCCC3)CC1 ZINC000125525151 892751926 /nfs/dbraw/zinc/75/19/26/892751926.db2.gz HFVAHJPLDSGFHE-KRWDZBQOSA-N 2 2 377.598 3.723 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508714121 892792291 /nfs/dbraw/zinc/79/22/91/892792291.db2.gz URPJXNBCPNWONB-OFVILXPXSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714121 892792301 /nfs/dbraw/zinc/79/23/01/892792301.db2.gz URPJXNBCPNWONB-OFVILXPXSA-N 3 2 393.575 3.519 20 0 GHADLP CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000533881907 893371923 /nfs/dbraw/zinc/37/19/23/893371923.db2.gz POFGYTODNHJLHS-UHFFFAOYSA-N 2 2 393.535 3.940 20 0 GHADLP CC(C)(C)[N@H+]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000533881907 893371943 /nfs/dbraw/zinc/37/19/43/893371943.db2.gz POFGYTODNHJLHS-UHFFFAOYSA-N 2 2 393.535 3.940 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nc(Cl)cs2)CC1 ZINC000877021361 893439539 /nfs/dbraw/zinc/43/95/39/893439539.db2.gz SCSMLFGDQBJJNE-ZDUSSCGKSA-N 2 2 382.936 3.928 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)ccc3OC(F)F)C2)CC1 ZINC000536663187 893476207 /nfs/dbraw/zinc/47/62/07/893476207.db2.gz CHWJESZAQIGWRE-KRWDZBQOSA-N 2 2 387.902 3.542 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3OC(F)F)C2)CC1 ZINC000536663187 893476213 /nfs/dbraw/zinc/47/62/13/893476213.db2.gz CHWJESZAQIGWRE-KRWDZBQOSA-N 2 2 387.902 3.542 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cn1 ZINC000126332239 893481618 /nfs/dbraw/zinc/48/16/18/893481618.db2.gz DCAJDKZHFXUGNV-AWEZNQCLSA-N 2 2 375.476 3.656 20 0 GHADLP [NH3+][C@H](C[C@H]1CCCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1)C1CCCC1 ZINC000877443072 893603481 /nfs/dbraw/zinc/60/34/81/893603481.db2.gz BVJNMAGAXOOFFS-OIISXLGYSA-N 2 2 386.462 3.523 20 0 GHADLP CC1CC[NH+](CCc2cccc(NC(=O)NCCNc3cccc[nH+]3)c2)CC1 ZINC000536720826 893605257 /nfs/dbraw/zinc/60/52/57/893605257.db2.gz HOHVKARHENCRPB-UHFFFAOYSA-N 2 2 381.524 3.590 20 0 GHADLP Brc1ncccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000877485075 893640650 /nfs/dbraw/zinc/64/06/50/893640650.db2.gz JVQRBWGNGQHOSQ-UHFFFAOYSA-N 2 2 375.314 3.757 20 0 GHADLP Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+]C(C)(C)C[NH+](C)C ZINC000459553048 893792366 /nfs/dbraw/zinc/79/23/66/893792366.db2.gz XXQAIDPZXBDWMY-UHFFFAOYSA-N 2 2 384.362 3.714 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000815559597 893998568 /nfs/dbraw/zinc/99/85/68/893998568.db2.gz LGSXDRIMDNJWLD-KRWDZBQOSA-N 2 2 380.492 3.748 20 0 GHADLP CN(C(=O)C[C@@H]1CCCC1(F)F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000935078864 894172090 /nfs/dbraw/zinc/17/20/90/894172090.db2.gz NTKOINDUYRMDPM-QXAKKESOSA-N 2 2 385.543 3.608 20 0 GHADLP CN(C(=O)C[C@@H]1CCCC1(F)F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000935078864 894172092 /nfs/dbraw/zinc/17/20/92/894172092.db2.gz NTKOINDUYRMDPM-QXAKKESOSA-N 2 2 385.543 3.608 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000564123753 894621866 /nfs/dbraw/zinc/62/18/66/894621866.db2.gz LMBKLEAFLWTYIT-QHCPKHFHSA-N 2 2 379.479 3.747 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000564123753 894621877 /nfs/dbraw/zinc/62/18/77/894621877.db2.gz LMBKLEAFLWTYIT-QHCPKHFHSA-N 2 2 379.479 3.747 20 0 GHADLP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1nc2c(s1)CCCC2 ZINC000423581360 894630898 /nfs/dbraw/zinc/63/08/98/894630898.db2.gz YVVOTVADKNGTFI-KRWDZBQOSA-N 2 2 384.593 3.666 20 0 GHADLP CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000460131957 894735434 /nfs/dbraw/zinc/73/54/34/894735434.db2.gz QKLJZPMTAZMIGQ-UHFFFAOYSA-N 2 2 397.567 3.729 20 0 GHADLP Brc1ccc2c(c1)C[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC001170853118 895283919 /nfs/dbraw/zinc/28/39/19/895283919.db2.gz CVMMBZKNFSYEDP-LJQANCHMSA-N 2 2 386.337 3.960 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000564934499 895313469 /nfs/dbraw/zinc/31/34/69/895313469.db2.gz NWCZMJJLJCYMCZ-SVFBPWRDSA-N 2 2 389.902 3.821 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000564934499 895313484 /nfs/dbraw/zinc/31/34/84/895313484.db2.gz NWCZMJJLJCYMCZ-SVFBPWRDSA-N 2 2 389.902 3.821 20 0 GHADLP Cc1cccc(C2(O)CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)c1C ZINC000817274156 895458337 /nfs/dbraw/zinc/45/83/37/895458337.db2.gz DIJPHXLIUPEBLV-UHFFFAOYSA-N 2 2 394.559 3.619 20 0 GHADLP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000817407393 895586380 /nfs/dbraw/zinc/58/63/80/895586380.db2.gz MLFVIIQNTKSSMT-VXKWHMMOSA-N 2 2 380.536 3.618 20 0 GHADLP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000817407393 895586386 /nfs/dbraw/zinc/58/63/86/895586386.db2.gz MLFVIIQNTKSSMT-VXKWHMMOSA-N 2 2 380.536 3.618 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)c2c[nH+]ccc2Nc2ccccc2)[NH+](C)C)cc1 ZINC001135927134 895704054 /nfs/dbraw/zinc/70/40/54/895704054.db2.gz ZVURYVWEYAQCKP-HSZRJFAPSA-N 2 2 388.515 3.842 20 0 GHADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880567526 895750551 /nfs/dbraw/zinc/75/05/51/895750551.db2.gz JPXDRJSHUWAYFX-KRWDZBQOSA-N 2 2 388.924 3.588 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C(C)=C\c3cccc(Cl)c3)CC2)CC1 ZINC000817656756 895792898 /nfs/dbraw/zinc/79/28/98/895792898.db2.gz OBPYRZIEYPKJGA-VLGSPTGOSA-N 2 2 389.971 3.762 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C(C)=C\c3cccc(Cl)c3)CC2)CC1 ZINC000817656756 895792926 /nfs/dbraw/zinc/79/29/26/895792926.db2.gz OBPYRZIEYPKJGA-VLGSPTGOSA-N 2 2 389.971 3.762 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc4ccc(Br)cc4s3)CC[C@@H]21 ZINC000774911008 914014027 /nfs/dbraw/zinc/01/40/27/914014027.db2.gz DUDLWDOVERPOSK-WFASDCNBSA-N 2 2 380.355 3.975 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc4ccc(Br)cc4s3)CC[C@@H]21 ZINC000774911008 914014041 /nfs/dbraw/zinc/01/40/41/914014041.db2.gz DUDLWDOVERPOSK-WFASDCNBSA-N 2 2 380.355 3.975 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc4ccc(Br)cc4s3)CC[C@@H]21 ZINC000774911008 914014048 /nfs/dbraw/zinc/01/40/48/914014048.db2.gz DUDLWDOVERPOSK-WFASDCNBSA-N 2 2 380.355 3.975 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc4ccc(Br)cc4s3)CC[C@@H]21 ZINC000774911008 914014062 /nfs/dbraw/zinc/01/40/62/914014062.db2.gz DUDLWDOVERPOSK-WFASDCNBSA-N 2 2 380.355 3.975 20 0 GHADLP COc1ccc([C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C(C)C)c(Br)c1 ZINC000565862684 895941182 /nfs/dbraw/zinc/94/11/82/895941182.db2.gz BNWWTXGHDQNINP-LJQANCHMSA-N 2 2 399.373 3.591 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cn2ccccc2n1 ZINC000566474142 896331422 /nfs/dbraw/zinc/33/14/22/896331422.db2.gz FKRVWAIZGFMLLB-DLBZAZTESA-N 2 2 381.499 3.637 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129681849 896826446 /nfs/dbraw/zinc/82/64/46/896826446.db2.gz GKQXIXGAGXVLSP-KNQAVFIVSA-N 2 2 395.551 3.785 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129681849 896826461 /nfs/dbraw/zinc/82/64/61/896826461.db2.gz GKQXIXGAGXVLSP-KNQAVFIVSA-N 2 2 395.551 3.785 20 0 GHADLP Brc1ccc(C[N@H+](CCC[C@@H]2CCOC2)CCn2cc[nH+]c2)o1 ZINC000645909677 914120112 /nfs/dbraw/zinc/12/01/12/914120112.db2.gz TYCORSYWEMCAGO-OAHLLOKOSA-N 2 2 382.302 3.558 20 0 GHADLP Brc1ccc(C[N@@H+](CCC[C@@H]2CCOC2)CCn2cc[nH+]c2)o1 ZINC000645909677 914120124 /nfs/dbraw/zinc/12/01/24/914120124.db2.gz TYCORSYWEMCAGO-OAHLLOKOSA-N 2 2 382.302 3.558 20 0 GHADLP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000567523640 897223401 /nfs/dbraw/zinc/22/34/01/897223401.db2.gz HOKUODIQVBLAJU-YUQCVWRMSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000567523640 897223410 /nfs/dbraw/zinc/22/34/10/897223410.db2.gz HOKUODIQVBLAJU-YUQCVWRMSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@H](OC[C@H](O)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000567678689 897332789 /nfs/dbraw/zinc/33/27/89/897332789.db2.gz ZHXKXDLQQFBOIT-HTAPYJJXSA-N 2 2 399.922 3.813 20 0 GHADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC12CCOCC2 ZINC000567870960 897463698 /nfs/dbraw/zinc/46/36/98/897463698.db2.gz BLPLTIWPYQQCOJ-HNNXBMFYSA-N 2 2 396.375 3.912 20 0 GHADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC12CCOCC2 ZINC000567870960 897463704 /nfs/dbraw/zinc/46/37/04/897463704.db2.gz BLPLTIWPYQQCOJ-HNNXBMFYSA-N 2 2 396.375 3.912 20 0 GHADLP COc1ccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1NC(C)=O ZINC000883387025 897550267 /nfs/dbraw/zinc/55/02/67/897550267.db2.gz QOWKPVRWIFIZEU-IIBYNOLFSA-N 2 2 378.476 3.942 20 0 GHADLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000883490405 897622465 /nfs/dbraw/zinc/62/24/65/897622465.db2.gz NETAUTMXRKNYBX-JOCHJYFZSA-N 2 2 395.551 3.721 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4cccc(F)c4C3)CC2)cc1 ZINC001170968219 897965128 /nfs/dbraw/zinc/96/51/28/897965128.db2.gz CAEAMQPRFDCYFT-NRFANRHFSA-N 2 2 396.506 3.724 20 0 GHADLP Cc1ccc([C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C2CCC2)o1 ZINC000544578454 898097523 /nfs/dbraw/zinc/09/75/23/898097523.db2.gz CDTBEAMUCCFNLU-QFIPXVFZSA-N 2 2 381.520 3.607 20 0 GHADLP c1ccc([C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C2CC2)cc1 ZINC001202569287 898132912 /nfs/dbraw/zinc/13/29/12/898132912.db2.gz AFSPMBIEKCQKMK-DEOSSOPVSA-N 2 2 380.532 3.681 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1nccc2ccccc21 ZINC000289551904 914236032 /nfs/dbraw/zinc/23/60/32/914236032.db2.gz CEOLFTCPXUHYBV-IBGZPJMESA-N 2 2 391.515 3.797 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1nccc2ccccc21 ZINC000289551909 914236097 /nfs/dbraw/zinc/23/60/97/914236097.db2.gz CEOLFTCPXUHYBV-LJQANCHMSA-N 2 2 391.515 3.797 20 0 GHADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569482029 898700927 /nfs/dbraw/zinc/70/09/27/898700927.db2.gz XFINJIUARLIOCG-UIAACRFSSA-N 2 2 389.902 3.597 20 0 GHADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569482029 898700932 /nfs/dbraw/zinc/70/09/32/898700932.db2.gz XFINJIUARLIOCG-UIAACRFSSA-N 2 2 389.902 3.597 20 0 GHADLP COc1cccc([C@@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)N(C)C)c1 ZINC000133709720 898857840 /nfs/dbraw/zinc/85/78/40/898857840.db2.gz CVFYSJVVUPDAJU-XMMPIXPASA-N 2 2 396.579 3.623 20 0 GHADLP C[C@@H]1C[C@@H](C[NH2+]CCCCNc2cccc[nH+]2)CCN1C(=O)OC(C)(C)C ZINC000823781653 899246968 /nfs/dbraw/zinc/24/69/68/899246968.db2.gz FFGWWZHSZFSXOY-MSOLQXFVSA-N 2 2 376.545 3.899 20 0 GHADLP Brc1cc(Br)cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000570487896 899340297 /nfs/dbraw/zinc/34/02/97/899340297.db2.gz AIOYWKLTMHBZGI-GFCCVEGCSA-N 2 2 385.103 3.582 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289798067 914354012 /nfs/dbraw/zinc/35/40/12/914354012.db2.gz YZIQMQIDDYNRMN-GOSISDBHSA-N 2 2 380.458 3.837 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289798067 914354029 /nfs/dbraw/zinc/35/40/29/914354029.db2.gz YZIQMQIDDYNRMN-GOSISDBHSA-N 2 2 380.458 3.837 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)[C@H](C)C1 ZINC000570631925 899456556 /nfs/dbraw/zinc/45/65/56/899456556.db2.gz WIGKDDNEPSVTGB-NHTMILBNSA-N 3 2 399.623 3.910 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)[C@H](C)C1 ZINC000570631925 899456560 /nfs/dbraw/zinc/45/65/60/899456560.db2.gz WIGKDDNEPSVTGB-NHTMILBNSA-N 3 2 399.623 3.910 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@H](C)C1 ZINC000570631925 899456563 /nfs/dbraw/zinc/45/65/63/899456563.db2.gz WIGKDDNEPSVTGB-NHTMILBNSA-N 3 2 399.623 3.910 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@H](C)C1 ZINC000570631925 899456567 /nfs/dbraw/zinc/45/65/67/899456567.db2.gz WIGKDDNEPSVTGB-NHTMILBNSA-N 3 2 399.623 3.910 20 0 GHADLP COCCC[NH+]1CCC([NH2+]Cc2nc3ccc(Br)cc3s2)CC1 ZINC000774984865 914350707 /nfs/dbraw/zinc/35/07/07/914350707.db2.gz VUFGCDXOVZPYLL-UHFFFAOYSA-N 2 2 398.370 3.649 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3(c4ccc(F)cc4)CCCCC3)c2)CC1 ZINC001171051036 899475302 /nfs/dbraw/zinc/47/53/02/899475302.db2.gz JNVBZTLQWDBQLA-UHFFFAOYSA-N 2 2 396.510 3.813 20 0 GHADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000571010335 899713957 /nfs/dbraw/zinc/71/39/57/899713957.db2.gz ZRSGMXHUZKEGRS-PKOBYXMFSA-N 2 2 386.367 3.527 20 0 GHADLP CC(C)Sc1ccccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000120291574 899783957 /nfs/dbraw/zinc/78/39/57/899783957.db2.gz SQQMSEGWWGZETK-UHFFFAOYSA-N 2 2 390.597 3.867 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)s1 ZINC000796314665 914383952 /nfs/dbraw/zinc/38/39/52/914383952.db2.gz DOWNVWUXBCWJNG-QGZVFWFLSA-N 2 2 390.553 3.560 20 0 GHADLP CCC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825255859 900054554 /nfs/dbraw/zinc/05/45/54/900054554.db2.gz YXTAIJOXGJLWOI-RXVVDRJESA-N 2 2 382.556 3.780 20 0 GHADLP CN(C)C(=O)[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000572212470 900103381 /nfs/dbraw/zinc/10/33/81/900103381.db2.gz HAHWVASMHCHVIO-GGAORHGYSA-N 2 2 379.548 3.708 20 0 GHADLP CN(C)C(=O)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000572212470 900103388 /nfs/dbraw/zinc/10/33/88/900103388.db2.gz HAHWVASMHCHVIO-GGAORHGYSA-N 2 2 379.548 3.708 20 0 GHADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3cc[nH+]c(N4CCCC4)c3)ccc21 ZINC000573299633 900453010 /nfs/dbraw/zinc/45/30/10/900453010.db2.gz NJFZJGZJICTPDP-HXUWFJFHSA-N 2 2 379.508 3.552 20 0 GHADLP COC(=O)[C@@H](c1ccc(F)cc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000573382795 900488020 /nfs/dbraw/zinc/48/80/20/900488020.db2.gz JZZSTCDXBSXZOZ-OAQYLSRUSA-N 2 2 385.483 3.673 20 0 GHADLP COC(=O)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000573382795 900488029 /nfs/dbraw/zinc/48/80/29/900488029.db2.gz JZZSTCDXBSXZOZ-OAQYLSRUSA-N 2 2 385.483 3.673 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000574679878 900970309 /nfs/dbraw/zinc/97/03/09/900970309.db2.gz ZCLKTIUFLMPUDI-GBXCKJPGSA-N 2 2 396.531 3.688 20 0 GHADLP Clc1ccccc1[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)N1CCOCC1 ZINC000046836355 901109349 /nfs/dbraw/zinc/10/93/49/901109349.db2.gz HLRXLSJLXZLRKP-QFIPXVFZSA-N 2 2 396.922 3.689 20 0 GHADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000575076829 901110464 /nfs/dbraw/zinc/11/04/64/901110464.db2.gz PBYPSXVPUHTYBL-SFHVURJKSA-N 2 2 379.508 3.588 20 0 GHADLP Cc1[nH]c(C2CC[NH+](C[C@@H](O)c3ccc(F)c(Br)c3)CC2)[nH+]c1C ZINC000886662459 901214168 /nfs/dbraw/zinc/21/41/68/901214168.db2.gz DUNOVPFSWNXJPG-QGZVFWFLSA-N 2 2 396.304 3.841 20 0 GHADLP Cc1[nH]c(C2CC[NH+](Cc3nnc(-c4ccc(Cl)cc4)n3C)CC2)[nH+]c1C ZINC000886662561 901214516 /nfs/dbraw/zinc/21/45/16/901214516.db2.gz GTBXQMQYLJNXSY-UHFFFAOYSA-N 2 2 384.915 3.855 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cnccc1Cl)C2 ZINC001137233535 901378391 /nfs/dbraw/zinc/37/83/91/901378391.db2.gz IEZUXOMZPXJMGO-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cnccc1Cl)C2 ZINC001137233535 901378396 /nfs/dbraw/zinc/37/83/96/901378396.db2.gz IEZUXOMZPXJMGO-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1cnccc1Cl)C2 ZINC001137233535 901378403 /nfs/dbraw/zinc/37/84/03/901378403.db2.gz IEZUXOMZPXJMGO-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1cnccc1Cl)C2 ZINC001137233535 901378408 /nfs/dbraw/zinc/37/84/08/901378408.db2.gz IEZUXOMZPXJMGO-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP c1csc([C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C2CC2)c1 ZINC000826526146 901387464 /nfs/dbraw/zinc/38/74/64/901387464.db2.gz MUQPYJGHQALOGP-HXUWFJFHSA-N 2 2 394.548 3.634 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OCc1cccnc1 ZINC000093597921 901554677 /nfs/dbraw/zinc/55/46/77/901554677.db2.gz ZBIHGGNOZDVPSC-NRFANRHFSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OCc1cccnc1 ZINC000093597921 901554681 /nfs/dbraw/zinc/55/46/81/901554681.db2.gz ZBIHGGNOZDVPSC-NRFANRHFSA-N 2 2 381.520 3.587 20 0 GHADLP Cc1nc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)sc1C ZINC001144364257 901906440 /nfs/dbraw/zinc/90/64/40/901906440.db2.gz JWKNFDAXSOIWAK-QGZVFWFLSA-N 2 2 375.538 3.608 20 0 GHADLP Cc1nc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)sc1C ZINC001144364257 901906454 /nfs/dbraw/zinc/90/64/54/901906454.db2.gz JWKNFDAXSOIWAK-QGZVFWFLSA-N 2 2 375.538 3.608 20 0 GHADLP CC1CC[NH+](C2CCC(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC2)CC1 ZINC000128674275 902701803 /nfs/dbraw/zinc/70/18/03/902701803.db2.gz XGMHYQMMXKKHLQ-UHFFFAOYSA-N 2 2 380.536 3.704 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC[C@H](Nc4ccccc4)C3)C2)cc1 ZINC000577595291 902933833 /nfs/dbraw/zinc/93/38/33/902933833.db2.gz ONNYHOYGXUZPFT-ZEQRLZLVSA-N 2 2 379.548 3.854 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC[C@H](Nc4ccccc4)C3)C2)cc1 ZINC000577595291 902933838 /nfs/dbraw/zinc/93/38/38/902933838.db2.gz ONNYHOYGXUZPFT-ZEQRLZLVSA-N 2 2 379.548 3.854 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCC[C@H](Nc4ccccc4)C3)C2)cc1 ZINC000577595291 902933845 /nfs/dbraw/zinc/93/38/45/902933845.db2.gz ONNYHOYGXUZPFT-ZEQRLZLVSA-N 2 2 379.548 3.854 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CCC[C@H](Nc4ccccc4)C3)C2)cc1 ZINC000577595291 902933849 /nfs/dbraw/zinc/93/38/49/902933849.db2.gz ONNYHOYGXUZPFT-ZEQRLZLVSA-N 2 2 379.548 3.854 20 0 GHADLP CCOc1cc[nH+]cc1Nc1cc[nH+]c(N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001212834892 903416613 /nfs/dbraw/zinc/41/66/13/903416613.db2.gz DGGFGFAXHJWYQE-UHFFFAOYSA-N 2 2 399.495 3.676 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(Cc2cccs2)CCCCC1 ZINC000577993466 903422323 /nfs/dbraw/zinc/42/23/23/903422323.db2.gz APBABQZHTHBDNH-UHFFFAOYSA-N 2 2 391.625 3.726 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(Cc2cccs2)CCCCC1 ZINC000577993466 903422327 /nfs/dbraw/zinc/42/23/27/903422327.db2.gz APBABQZHTHBDNH-UHFFFAOYSA-N 2 2 391.625 3.726 20 0 GHADLP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000578170641 903584713 /nfs/dbraw/zinc/58/47/13/903584713.db2.gz GHPZTDLKTVCHBD-IPMKNSEASA-N 2 2 390.572 3.538 20 0 GHADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000578170641 903584723 /nfs/dbraw/zinc/58/47/23/903584723.db2.gz GHPZTDLKTVCHBD-IPMKNSEASA-N 2 2 390.572 3.538 20 0 GHADLP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000578178159 903589835 /nfs/dbraw/zinc/58/98/35/903589835.db2.gz DNMBSNVPVIGTMA-RTBURBONSA-N 2 2 381.520 3.808 20 0 GHADLP Cc1c(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cccc1C(F)(F)F ZINC000135200868 903642433 /nfs/dbraw/zinc/64/24/33/903642433.db2.gz JNKPKRYTAIIBMS-UHFFFAOYSA-N 2 2 386.462 3.504 20 0 GHADLP Cc1c(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cccc1C(F)(F)F ZINC000135200868 903642443 /nfs/dbraw/zinc/64/24/43/903642443.db2.gz JNKPKRYTAIIBMS-UHFFFAOYSA-N 2 2 386.462 3.504 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCOC4(CCSCC4)C3)CC2)cc1 ZINC000773069973 904410718 /nfs/dbraw/zinc/41/07/18/904410718.db2.gz DCEGBOCIKAGJKD-LJQANCHMSA-N 2 2 389.609 3.756 20 0 GHADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000290791554 914821616 /nfs/dbraw/zinc/82/16/16/914821616.db2.gz URYMETXNBAMQGB-ROUUACIJSA-N 2 2 390.572 3.890 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)NCC3CCCCC3)C2)s1 ZINC000579645829 904767967 /nfs/dbraw/zinc/76/79/67/904767967.db2.gz DIDZMJXARKLEOS-LJQANCHMSA-N 2 2 377.598 3.507 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)NCC3CCCCC3)C2)s1 ZINC000579645829 904767972 /nfs/dbraw/zinc/76/79/72/904767972.db2.gz DIDZMJXARKLEOS-LJQANCHMSA-N 2 2 377.598 3.507 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)NCC3CCCCC3)C2)s1 ZINC000579645829 904767986 /nfs/dbraw/zinc/76/79/86/904767986.db2.gz DIDZMJXARKLEOS-LJQANCHMSA-N 2 2 377.598 3.507 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)NCC3CCCCC3)C2)s1 ZINC000579645829 904767993 /nfs/dbraw/zinc/76/79/93/904767993.db2.gz DIDZMJXARKLEOS-LJQANCHMSA-N 2 2 377.598 3.507 20 0 GHADLP COc1cc(N(C2CC[NH2+]CC2)[C@@H]2CCc3cc(F)c(F)c(F)c3C2)cc[nH+]1 ZINC001171547336 904820929 /nfs/dbraw/zinc/82/09/29/904820929.db2.gz QLFBCJVDBNOAAL-OAHLLOKOSA-N 2 2 391.437 3.623 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C[C@@H]1C(C)(C)C ZINC001171593926 904844237 /nfs/dbraw/zinc/84/42/37/904844237.db2.gz UDKMLWLHLURLKE-CEXWTWQISA-N 2 2 379.589 3.875 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C[C@@H]1C(C)(C)C ZINC001171593926 904844253 /nfs/dbraw/zinc/84/42/53/904844253.db2.gz UDKMLWLHLURLKE-CEXWTWQISA-N 2 2 379.589 3.875 20 0 GHADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171880799 905152691 /nfs/dbraw/zinc/15/26/91/905152691.db2.gz MXARAQYSVXGOMW-FKBYEOEOSA-N 2 2 392.547 3.853 20 0 GHADLP O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001171881098 905152779 /nfs/dbraw/zinc/15/27/79/905152779.db2.gz PGRLMKDIZOBFHN-RPWUZVMVSA-N 2 2 391.559 3.936 20 0 GHADLP O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001171881098 905152788 /nfs/dbraw/zinc/15/27/88/905152788.db2.gz PGRLMKDIZOBFHN-RPWUZVMVSA-N 2 2 391.559 3.936 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(C(=O)OC(C)(C)C)C3=CCCC[C@@H]31)C2 ZINC001172132021 905344195 /nfs/dbraw/zinc/34/41/95/905344195.db2.gz JDJFYZZDGCKFOM-MANSERQUSA-N 2 2 375.557 3.991 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(C(=O)OC(C)(C)C)C3=CCCC[C@@H]31)C2 ZINC001172132021 905344212 /nfs/dbraw/zinc/34/42/12/905344212.db2.gz JDJFYZZDGCKFOM-MANSERQUSA-N 2 2 375.557 3.991 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCN(C(=O)OC(C)(C)C)C3=CCCC[C@@H]31)C2 ZINC001172132021 905344227 /nfs/dbraw/zinc/34/42/27/905344227.db2.gz JDJFYZZDGCKFOM-MANSERQUSA-N 2 2 375.557 3.991 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCN(C(=O)OC(C)(C)C)C3=CCCC[C@@H]31)C2 ZINC001172132021 905344243 /nfs/dbraw/zinc/34/42/43/905344243.db2.gz JDJFYZZDGCKFOM-MANSERQUSA-N 2 2 375.557 3.991 20 0 GHADLP COCCC[NH+]1CCC(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC001172244334 905442982 /nfs/dbraw/zinc/44/29/82/905442982.db2.gz OYXYAMCYACWSHD-NRFANRHFSA-N 2 2 379.976 3.567 20 0 GHADLP COCCC[NH+]1CCC([NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC001172244334 905443006 /nfs/dbraw/zinc/44/30/06/905443006.db2.gz OYXYAMCYACWSHD-NRFANRHFSA-N 2 2 379.976 3.567 20 0 GHADLP C[C@@H]1CC[C@H]([NH+]2CCC([N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)C[C@H]1C ZINC001172384763 905542975 /nfs/dbraw/zinc/54/29/75/905542975.db2.gz WGMRFJXISAKQRX-MLYOOKFZSA-N 2 2 379.589 3.875 20 0 GHADLP C[C@@H]1CC[C@H]([NH+]2CCC([N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)C[C@H]1C ZINC001172384763 905542989 /nfs/dbraw/zinc/54/29/89/905542989.db2.gz WGMRFJXISAKQRX-MLYOOKFZSA-N 2 2 379.589 3.875 20 0 GHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001172520268 905613854 /nfs/dbraw/zinc/61/38/54/905613854.db2.gz LGGMCRWZMUVXKS-GPJHCHHRSA-N 2 2 383.580 3.637 20 0 GHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001172520268 905613859 /nfs/dbraw/zinc/61/38/59/905613859.db2.gz LGGMCRWZMUVXKS-GPJHCHHRSA-N 2 2 383.580 3.637 20 0 GHADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001172575484 905636115 /nfs/dbraw/zinc/63/61/15/905636115.db2.gz IIHSCBBYIIOZRW-WVFSVQOHSA-N 2 2 393.909 3.741 20 0 GHADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000176748954 905925083 /nfs/dbraw/zinc/92/50/83/905925083.db2.gz CAIOFNSLIWWVCZ-UHFFFAOYSA-N 2 2 383.536 3.640 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1)c1ccn(C2CC[NH+](CC(=O)OC(C)(C)C)CC2)n1 ZINC001172896384 905985033 /nfs/dbraw/zinc/98/50/33/905985033.db2.gz DLBQYLWREGXUFI-GOSISDBHSA-N 2 2 398.551 3.713 20 0 GHADLP [NH3+]C1(c2ccccc2F)CC[NH+](C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001172999836 906074376 /nfs/dbraw/zinc/07/43/76/906074376.db2.gz ZMZLXWLIHNOFDX-UHFFFAOYSA-N 2 2 399.485 3.519 20 0 GHADLP c1cc(C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000628386396 906082151 /nfs/dbraw/zinc/08/21/51/906082151.db2.gz YBGHUPLOHFNJRQ-UHFFFAOYSA-N 2 2 392.507 3.763 20 0 GHADLP c1csc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCC5(CCOCC5)CC4)CC[C@@H]32)n1 ZINC001173048764 906120018 /nfs/dbraw/zinc/12/00/18/906120018.db2.gz ZVRGRXIRXVJKNT-MJGOQNOKSA-N 2 2 375.582 3.779 20 0 GHADLP c1csc(C[N@H+]2CC[C@@H]3C[NH+](C4CCC5(CCOCC5)CC4)CC[C@@H]32)n1 ZINC001173048764 906120023 /nfs/dbraw/zinc/12/00/23/906120023.db2.gz ZVRGRXIRXVJKNT-MJGOQNOKSA-N 2 2 375.582 3.779 20 0 GHADLP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCC5(CCOCC5)CC4)CC[C@@H]32)n1 ZINC001173048764 906120030 /nfs/dbraw/zinc/12/00/30/906120030.db2.gz ZVRGRXIRXVJKNT-MJGOQNOKSA-N 2 2 375.582 3.779 20 0 GHADLP c1csc(C[NH+]2CC[C@@H]3C[N@H+](C4CCC5(CCOCC5)CC4)CC[C@@H]32)n1 ZINC001173048764 906120037 /nfs/dbraw/zinc/12/00/37/906120037.db2.gz ZVRGRXIRXVJKNT-MJGOQNOKSA-N 2 2 375.582 3.779 20 0 GHADLP COc1cc(C[NH2+]CCCNc2cccc[nH+]2)ccc1OCc1ccncc1 ZINC000177590793 906173134 /nfs/dbraw/zinc/17/31/34/906173134.db2.gz OSTBEAPREAFKMP-UHFFFAOYSA-N 2 2 378.476 3.656 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(Br)ccc1F ZINC000178469260 906346732 /nfs/dbraw/zinc/34/67/32/906346732.db2.gz VXICJGJXCYGKSN-ZIAGYGMSSA-N 2 2 385.321 3.740 20 0 GHADLP NC(=O)C1([NH2+][C@H]2CCCC3(CCCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001173341612 906381878 /nfs/dbraw/zinc/38/18/78/906381878.db2.gz NZQFIXIYSNULDI-NRFANRHFSA-N 2 2 383.580 3.989 20 0 GHADLP Cc1cc(C)c(N2CC[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2=O)c(C)c1 ZINC000190932678 906455132 /nfs/dbraw/zinc/45/51/32/906455132.db2.gz QJIRYMCYOSFOIK-QHCPKHFHSA-N 2 2 391.559 3.971 20 0 GHADLP C[C@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(Cl)cc1 ZINC000179883224 906623747 /nfs/dbraw/zinc/62/37/47/906623747.db2.gz DVDIJPZAHQTKDM-KRWDZBQOSA-N 2 2 391.987 3.584 20 0 GHADLP O=C(c1ccc(F)c(Cl)c1)N1CCC(n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CC1 ZINC001173784513 906708495 /nfs/dbraw/zinc/70/84/95/906708495.db2.gz GPNXFBMXRPPETH-OAHLLOKOSA-N 2 2 390.890 3.620 20 0 GHADLP [NH3+]C1(C[NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)CCOCC1 ZINC000629525531 906855686 /nfs/dbraw/zinc/85/56/86/906855686.db2.gz VPLFAKXGDIHBLX-SFHVURJKSA-N 2 2 393.300 3.775 20 0 GHADLP C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182387429 907196610 /nfs/dbraw/zinc/19/66/10/907196610.db2.gz ATTJSZNEWMKLNJ-UYAOXDASSA-N 2 2 399.583 3.524 20 0 GHADLP C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182387429 907196616 /nfs/dbraw/zinc/19/66/16/907196616.db2.gz ATTJSZNEWMKLNJ-UYAOXDASSA-N 2 2 399.583 3.524 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000630763980 907396499 /nfs/dbraw/zinc/39/64/99/907396499.db2.gz GLFKJUATXBPQNU-UHFFFAOYSA-N 2 2 388.515 3.504 20 0 GHADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000630857721 907475117 /nfs/dbraw/zinc/47/51/17/907475117.db2.gz VHEHEYCAPFDGGE-UHFFFAOYSA-N 2 2 394.544 3.505 20 0 GHADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2cccc(OCc3ccccc3)c2)CC1 ZINC001175770205 907735848 /nfs/dbraw/zinc/73/58/48/907735848.db2.gz YCDTVHKETOCVJN-UHFFFAOYSA-N 2 2 376.504 3.593 20 0 GHADLP C[C@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185742946 907829974 /nfs/dbraw/zinc/82/99/74/907829974.db2.gz SGFKUVRSCCEEGT-YJBOKZPZSA-N 2 2 398.576 3.652 20 0 GHADLP C[C@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185742946 907829984 /nfs/dbraw/zinc/82/99/84/907829984.db2.gz SGFKUVRSCCEEGT-YJBOKZPZSA-N 2 2 398.576 3.652 20 0 GHADLP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)c1 ZINC001175965487 907841830 /nfs/dbraw/zinc/84/18/30/907841830.db2.gz KCDPBQFRIXZFMI-GOSISDBHSA-N 2 2 380.960 3.729 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+]3CCN(c4cc[nH+]cc4)C[C@H]3C)co2)cc1 ZINC001176282608 908013480 /nfs/dbraw/zinc/01/34/80/908013480.db2.gz ZMTAKMBZLRPPNJ-QGZVFWFLSA-N 2 2 378.476 3.846 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+]3CCN(c4cc[nH+]cc4)C[C@H]3C)co2)cc1 ZINC001176282608 908013499 /nfs/dbraw/zinc/01/34/99/908013499.db2.gz ZMTAKMBZLRPPNJ-QGZVFWFLSA-N 2 2 378.476 3.846 20 0 GHADLP CC[NH+]1CCC(CC2CCN(C(=O)[C@H]3CCCN(c4cccc[nH+]4)C3)CC2)CC1 ZINC001176965588 908332377 /nfs/dbraw/zinc/33/23/77/908332377.db2.gz QKUIQEFJHYVZKT-QFIPXVFZSA-N 2 2 398.595 3.659 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1C ZINC000777486014 908852423 /nfs/dbraw/zinc/85/24/23/908852423.db2.gz GLVHUJQYUUWUNW-QHCPKHFHSA-N 2 2 396.535 3.561 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1C ZINC000777486014 908852440 /nfs/dbraw/zinc/85/24/40/908852440.db2.gz GLVHUJQYUUWUNW-QHCPKHFHSA-N 2 2 396.535 3.561 20 0 GHADLP C[N@@H+]1Cc2c(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)cccc2[C@H](c2ccccc2)C1 ZINC001178118257 908888982 /nfs/dbraw/zinc/88/89/82/908888982.db2.gz RKYDMPKYUYIDOS-QUCCMNQESA-N 2 2 386.499 3.662 20 0 GHADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000718031637 909078398 /nfs/dbraw/zinc/07/83/98/909078398.db2.gz HBUWYYVAOKNCRF-DYESRHJHSA-N 2 2 387.568 3.742 20 0 GHADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000718031637 909078410 /nfs/dbraw/zinc/07/84/10/909078410.db2.gz HBUWYYVAOKNCRF-DYESRHJHSA-N 2 2 387.568 3.742 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC[N@@H+]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001178581714 909105305 /nfs/dbraw/zinc/10/53/05/909105305.db2.gz XMSSZKCQKIMXJT-IPMKNSEASA-N 2 2 379.589 3.734 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC[N@H+]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001178581714 909105309 /nfs/dbraw/zinc/10/53/09/909105309.db2.gz XMSSZKCQKIMXJT-IPMKNSEASA-N 2 2 379.589 3.734 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000635656424 909316112 /nfs/dbraw/zinc/31/61/12/909316112.db2.gz LRANFBVMKBQWNM-NXHRZFHOSA-N 2 2 394.441 3.546 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000635656424 909316129 /nfs/dbraw/zinc/31/61/29/909316129.db2.gz LRANFBVMKBQWNM-NXHRZFHOSA-N 2 2 394.441 3.546 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000266900461 909332765 /nfs/dbraw/zinc/33/27/65/909332765.db2.gz UAMKTXVJUBUWIE-IAGOWNOFSA-N 2 2 398.532 3.534 20 0 GHADLP C[C@@H](CC(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2)n1cc[nH+]c1 ZINC000636131720 909448131 /nfs/dbraw/zinc/44/81/31/909448131.db2.gz SUUCMDFJKOBGBM-FQEVSTJZSA-N 2 2 380.536 3.739 20 0 GHADLP Cc1cc(C)c(NC(=O)C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c(C)c1 ZINC000268706554 909981645 /nfs/dbraw/zinc/98/16/45/909981645.db2.gz IQERBDJXJMKNRM-UHFFFAOYSA-N 2 2 397.538 3.986 20 0 GHADLP COCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638331668 910120483 /nfs/dbraw/zinc/12/04/83/910120483.db2.gz JPKFZHHDMMGGTM-REWPJTCUSA-N 2 2 393.531 3.729 20 0 GHADLP COCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638331668 910120489 /nfs/dbraw/zinc/12/04/89/910120489.db2.gz JPKFZHHDMMGGTM-REWPJTCUSA-N 2 2 393.531 3.729 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638335248 910122502 /nfs/dbraw/zinc/12/25/02/910122502.db2.gz JTSFMRDVWSBQSE-GMAHTHKFSA-N 2 2 377.532 3.846 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638335248 910122510 /nfs/dbraw/zinc/12/25/10/910122510.db2.gz JTSFMRDVWSBQSE-GMAHTHKFSA-N 2 2 377.532 3.846 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3c[nH]c(-c4ccccc4)n3)[nH+]c2)CC1 ZINC000269129945 910153904 /nfs/dbraw/zinc/15/39/04/910153904.db2.gz IFWLAPVYNYDHPU-UHFFFAOYSA-N 2 2 376.508 3.614 20 0 GHADLP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269169103 910170298 /nfs/dbraw/zinc/17/02/98/910170298.db2.gz WUHHNKZCYOTIMH-UHFFFAOYSA-N 2 2 397.523 3.686 20 0 GHADLP FC(F)(F)Cn1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638762825 910227060 /nfs/dbraw/zinc/22/70/60/910227060.db2.gz KUCIKCUIWONOFA-MJGOQNOKSA-N 2 2 378.442 3.903 20 0 GHADLP FC(F)(F)Cn1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638762825 910227066 /nfs/dbraw/zinc/22/70/66/910227066.db2.gz KUCIKCUIWONOFA-MJGOQNOKSA-N 2 2 378.442 3.903 20 0 GHADLP CCc1cc(N2CCC[N@H+](Cc3nc([C@@H](C)OC)no3)CC2)c2ccccc2[nH+]1 ZINC000269742980 910346799 /nfs/dbraw/zinc/34/67/99/910346799.db2.gz LDVZOOPYSAFIJJ-MRXNPFEDSA-N 2 2 395.507 3.600 20 0 GHADLP CCc1cc(N2CCC[N@@H+](Cc3nc([C@@H](C)OC)no3)CC2)c2ccccc2[nH+]1 ZINC000269742980 910346816 /nfs/dbraw/zinc/34/68/16/910346816.db2.gz LDVZOOPYSAFIJJ-MRXNPFEDSA-N 2 2 395.507 3.600 20 0 GHADLP CC(C)CC[NH+]1CCC(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC001180848768 910395224 /nfs/dbraw/zinc/39/52/24/910395224.db2.gz PJTSCETXRXEDFK-QFIPXVFZSA-N 2 2 375.626 3.704 20 0 GHADLP CC(C)CC[NH+]1CCC(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC001180848768 910395235 /nfs/dbraw/zinc/39/52/35/910395235.db2.gz PJTSCETXRXEDFK-QFIPXVFZSA-N 2 2 375.626 3.704 20 0 GHADLP CN(CCCC[NH+]1CCCCC1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000639463402 910446996 /nfs/dbraw/zinc/44/69/96/910446996.db2.gz CFOIMRYGKMQNDP-UHFFFAOYSA-N 2 2 393.601 3.859 20 0 GHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270339943 910525623 /nfs/dbraw/zinc/52/56/23/910525623.db2.gz NMUYWZHOZLIBLC-MOPGFXCFSA-N 2 2 391.519 3.692 20 0 GHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270339943 910525639 /nfs/dbraw/zinc/52/56/39/910525639.db2.gz NMUYWZHOZLIBLC-MOPGFXCFSA-N 2 2 391.519 3.692 20 0 GHADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)C12CC(C1)CC[N@@H+]2Cc1ccccc1 ZINC001181487487 910817000 /nfs/dbraw/zinc/81/70/00/910817000.db2.gz KLMOTTCWHMZBTO-UHFFFAOYSA-N 2 2 386.499 3.925 20 0 GHADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)C12CC(C1)CC[N@H+]2Cc1ccccc1 ZINC001181487487 910817011 /nfs/dbraw/zinc/81/70/11/910817011.db2.gz KLMOTTCWHMZBTO-UHFFFAOYSA-N 2 2 386.499 3.925 20 0 GHADLP Cc1sccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000640466064 911035265 /nfs/dbraw/zinc/03/52/65/911035265.db2.gz VMLLHVRZVQDKPJ-RBUKOAKNSA-N 2 2 378.586 3.857 20 0 GHADLP Cc1sccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000640466064 911035288 /nfs/dbraw/zinc/03/52/88/911035288.db2.gz VMLLHVRZVQDKPJ-RBUKOAKNSA-N 2 2 378.586 3.857 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2cc(C[NH+](C)C)ccn2)cc1 ZINC000640563393 911067156 /nfs/dbraw/zinc/06/71/56/911067156.db2.gz NSZVJTSVGFDMHZ-HNNXBMFYSA-N 2 2 378.480 3.520 20 0 GHADLP COc1ccc([C@H](C)[N@H+](C)CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000641979462 911641399 /nfs/dbraw/zinc/64/13/99/911641399.db2.gz KVFPMHZXNGHRPM-PMACEKPBSA-N 2 2 395.547 3.593 20 0 GHADLP COc1ccc([C@H](C)[N@@H+](C)CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000641979462 911641405 /nfs/dbraw/zinc/64/14/05/911641405.db2.gz KVFPMHZXNGHRPM-PMACEKPBSA-N 2 2 395.547 3.593 20 0 GHADLP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000284277468 911811615 /nfs/dbraw/zinc/81/16/15/911811615.db2.gz XFWHGJNXUKYTPB-IBGZPJMESA-N 2 2 382.508 3.917 20 0 GHADLP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3sc(Cl)nc3Cl)(C1)CCC2 ZINC001279172131 911867680 /nfs/dbraw/zinc/86/76/80/911867680.db2.gz PPPZOEARBPBOEA-CVEARBPZSA-N 2 2 394.368 3.595 20 0 GHADLP COc1cccc([C@@H](CNC2CC[NH+](CCC(F)(F)F)CC2)[NH+]2CCCC2)c1 ZINC000291067385 914952694 /nfs/dbraw/zinc/95/26/94/914952694.db2.gz KYUVKMFENAJZCE-HXUWFJFHSA-N 2 2 399.501 3.839 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000291469691 915201063 /nfs/dbraw/zinc/20/10/63/915201063.db2.gz OWZJVVJTUDEDJZ-KRWDZBQOSA-N 2 2 388.556 3.502 20 0 GHADLP O=c1[nH]c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc2ccsc21 ZINC000291479202 915204560 /nfs/dbraw/zinc/20/45/60/915204560.db2.gz QQDOBCNNCORODC-UHFFFAOYSA-N 2 2 394.544 3.885 20 0 GHADLP O=c1[nH]c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc2ccsc21 ZINC000291479202 915204569 /nfs/dbraw/zinc/20/45/69/915204569.db2.gz QQDOBCNNCORODC-UHFFFAOYSA-N 2 2 394.544 3.885 20 0 GHADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cccn1C1CC[NH2+]CC1 ZINC000649302065 916095924 /nfs/dbraw/zinc/09/59/24/916095924.db2.gz RRUMJEGEIZQGPO-UHFFFAOYSA-N 2 2 389.503 3.865 20 0 GHADLP FC1(F)C(F)(F)C12CC[NH+](C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000649709608 916348311 /nfs/dbraw/zinc/34/83/11/916348311.db2.gz STTZYBXQJWKFNU-QGZVFWFLSA-N 2 2 386.433 3.644 20 0 GHADLP FC1(F)C(F)(F)C12CC[NH+](C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000649709608 916348328 /nfs/dbraw/zinc/34/83/28/916348328.db2.gz STTZYBXQJWKFNU-QGZVFWFLSA-N 2 2 386.433 3.644 20 0 GHADLP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000649772108 916391328 /nfs/dbraw/zinc/39/13/28/916391328.db2.gz BPHGKYPRUAIDII-KRWDZBQOSA-N 2 2 377.960 3.510 20 0 GHADLP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000650417510 916973261 /nfs/dbraw/zinc/97/32/61/916973261.db2.gz KGXMQGBEESKAQJ-LJQANCHMSA-N 2 2 399.564 3.940 20 0 GHADLP C[NH+]1CCC(NC(=O)C[NH+]2CCC(=Cc3cc(Cl)ccc3Cl)CC2)CC1 ZINC001191532056 918047763 /nfs/dbraw/zinc/04/77/63/918047763.db2.gz WXHKYXAXTHUINU-UHFFFAOYSA-N 2 2 396.362 3.683 20 0 GHADLP [NH3+]CCc1ccccc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000653109895 918128589 /nfs/dbraw/zinc/12/85/89/918128589.db2.gz QAMJKZRNVJTBCT-LJQANCHMSA-N 2 2 389.902 3.547 20 0 GHADLP O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000653114849 918129996 /nfs/dbraw/zinc/12/99/96/918129996.db2.gz YRGLWOXNBBWEDF-OAQYLSRUSA-N 2 2 388.515 3.604 20 0 GHADLP [NH3+][C@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)c1c(F)cccc1F ZINC000653253402 918201409 /nfs/dbraw/zinc/20/14/09/918201409.db2.gz SOIFMLBPJHKCDM-IBGZPJMESA-N 2 2 391.487 3.791 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(OCC(F)(F)F)nn2)cc1 ZINC000653606938 918351479 /nfs/dbraw/zinc/35/14/79/918351479.db2.gz MRSPMLSQQBOJLA-CYBMUJFWSA-N 2 2 391.397 3.763 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364299583 919319798 /nfs/dbraw/zinc/31/97/98/919319798.db2.gz HQWVDOSMAWZGAA-GOSISDBHSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364299583 919319813 /nfs/dbraw/zinc/31/98/13/919319813.db2.gz HQWVDOSMAWZGAA-GOSISDBHSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364299583 919319830 /nfs/dbraw/zinc/31/98/30/919319830.db2.gz HQWVDOSMAWZGAA-GOSISDBHSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364299583 919319843 /nfs/dbraw/zinc/31/98/43/919319843.db2.gz HQWVDOSMAWZGAA-GOSISDBHSA-N 2 2 395.551 3.873 20 0 GHADLP Cc1cc(Cl)c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000297451811 919341684 /nfs/dbraw/zinc/34/16/84/919341684.db2.gz QLNIFSJPNOZYCV-UHFFFAOYSA-N 2 2 378.948 3.637 20 0 GHADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000364736382 919926792 /nfs/dbraw/zinc/92/67/92/919926792.db2.gz XBJRPJSUUGAHQZ-NRFANRHFSA-N 2 2 390.466 3.833 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000800403623 920035433 /nfs/dbraw/zinc/03/54/33/920035433.db2.gz NDEJXBROFUUOLE-QZTJIDSGSA-N 2 2 388.556 3.656 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000800403623 920035444 /nfs/dbraw/zinc/03/54/44/920035444.db2.gz NDEJXBROFUUOLE-QZTJIDSGSA-N 2 2 388.556 3.656 20 0 GHADLP Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)C2=O)cc1 ZINC000800404593 920038069 /nfs/dbraw/zinc/03/80/69/920038069.db2.gz ODSFNCXUEUVHPH-SIKLNZKXSA-N 2 2 392.547 3.903 20 0 GHADLP Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)C2=O)cc1 ZINC000800404593 920038075 /nfs/dbraw/zinc/03/80/75/920038075.db2.gz ODSFNCXUEUVHPH-SIKLNZKXSA-N 2 2 392.547 3.903 20 0 GHADLP Cn1c[nH+]cc1CCN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000298463443 920565415 /nfs/dbraw/zinc/56/54/15/920565415.db2.gz OMIBKFJHPNDRSM-UHFFFAOYSA-N 2 2 380.458 3.578 20 0 GHADLP Cn1c[nH+]cc1CCN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000298463443 920565417 /nfs/dbraw/zinc/56/54/17/920565417.db2.gz OMIBKFJHPNDRSM-UHFFFAOYSA-N 2 2 380.458 3.578 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)cn1 ZINC000902318189 922083187 /nfs/dbraw/zinc/08/31/87/922083187.db2.gz HIZHNOUINUJKNP-HXUWFJFHSA-N 3 2 385.462 3.814 20 0 GHADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902443680 922199498 /nfs/dbraw/zinc/19/94/98/922199498.db2.gz LOSCPBCGSAXBSQ-OEPMTFCVSA-N 2 2 377.410 3.637 20 0 GHADLP c1cc([C@@H]2CCC[NH+]2Cc2ccccc2C[N@@H+]2CCC[C@H]2c2cc[nH]n2)n[nH]1 ZINC000367558866 922200141 /nfs/dbraw/zinc/20/01/41/922200141.db2.gz GTQIZVWXUJCXGD-VXKWHMMOSA-N 2 2 376.508 3.807 20 0 GHADLP c1cc([C@@H]2CCC[NH+]2Cc2ccccc2C[N@H+]2CCC[C@H]2c2cc[nH]n2)n[nH]1 ZINC000367558866 922200145 /nfs/dbraw/zinc/20/01/45/922200145.db2.gz GTQIZVWXUJCXGD-VXKWHMMOSA-N 2 2 376.508 3.807 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000368137425 922498313 /nfs/dbraw/zinc/49/83/13/922498313.db2.gz ZXRXZYFBBFXZET-CQSZACIVSA-N 2 2 386.297 3.562 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000368137425 922498320 /nfs/dbraw/zinc/49/83/20/922498320.db2.gz ZXRXZYFBBFXZET-CQSZACIVSA-N 2 2 386.297 3.562 20 0 GHADLP C[C@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902989965 922689996 /nfs/dbraw/zinc/68/99/96/922689996.db2.gz PKQAFVRIJOHFNW-ZWKOTPCHSA-N 2 2 378.476 3.533 20 0 GHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000676756239 924063131 /nfs/dbraw/zinc/06/31/31/924063131.db2.gz KZBGMCASQHNLJR-RZUBCFFCSA-N 2 2 395.551 3.509 20 0 GHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000676756239 924063137 /nfs/dbraw/zinc/06/31/37/924063137.db2.gz KZBGMCASQHNLJR-RZUBCFFCSA-N 2 2 395.551 3.509 20 0 GHADLP CC1(C)C[C@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000677749947 924477487 /nfs/dbraw/zinc/47/74/87/924477487.db2.gz WJPBXFRYIDYNCS-QHCPKHFHSA-N 2 2 391.559 3.952 20 0 GHADLP CC1(C)C[C@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)C[N@H+]1Cc1ccccc1 ZINC000677749947 924477500 /nfs/dbraw/zinc/47/75/00/924477500.db2.gz WJPBXFRYIDYNCS-QHCPKHFHSA-N 2 2 391.559 3.952 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000409533205 924739324 /nfs/dbraw/zinc/73/93/24/924739324.db2.gz FZWVWFXYEUUJKY-SFTDATJTSA-N 2 2 385.939 3.896 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3[nH]nc4ccccc43)C[C@H]21 ZINC001137348556 924904506 /nfs/dbraw/zinc/90/45/06/924904506.db2.gz BQQTWDLUWINHII-XTQVGHSUSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3[nH]nc4ccccc43)C[C@H]21 ZINC001137348556 924904509 /nfs/dbraw/zinc/90/45/09/924904509.db2.gz BQQTWDLUWINHII-XTQVGHSUSA-N 2 2 375.520 3.690 20 0 GHADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@]3(CO)CCCN(Cc4ccccc4)C3)CC2)C1 ZINC000679042402 925006928 /nfs/dbraw/zinc/00/69/28/925006928.db2.gz BFXGGLQFGTZLGY-IEZKXTBUSA-N 2 2 399.623 3.646 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](C)C1 ZINC000372065445 925114192 /nfs/dbraw/zinc/11/41/92/925114192.db2.gz DWKOSKTWIAFNMT-PVSQRLSRSA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](C)C1 ZINC000372065445 925114195 /nfs/dbraw/zinc/11/41/95/925114195.db2.gz DWKOSKTWIAFNMT-PVSQRLSRSA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[NH+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000372065445 925114202 /nfs/dbraw/zinc/11/42/02/925114202.db2.gz DWKOSKTWIAFNMT-PVSQRLSRSA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[NH+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000372065445 925114204 /nfs/dbraw/zinc/11/42/04/925114204.db2.gz DWKOSKTWIAFNMT-PVSQRLSRSA-N 3 2 399.623 3.909 20 0 GHADLP O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1)c1ccccc1 ZINC000372557538 925534109 /nfs/dbraw/zinc/53/41/09/925534109.db2.gz NJCZRKYQYPBARN-FQEVSTJZSA-N 2 2 395.551 3.717 20 0 GHADLP O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)c1ccccc1 ZINC000372557538 925534120 /nfs/dbraw/zinc/53/41/20/925534120.db2.gz NJCZRKYQYPBARN-FQEVSTJZSA-N 2 2 395.551 3.717 20 0 GHADLP CCCCC1CCC(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000681210579 925762365 /nfs/dbraw/zinc/76/23/65/925762365.db2.gz OYQPTTJDBGBBRD-AOMIVXANSA-N 2 2 392.632 3.793 20 0 GHADLP CCCCC1CCC(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000681210579 925762372 /nfs/dbraw/zinc/76/23/72/925762372.db2.gz OYQPTTJDBGBBRD-AOMIVXANSA-N 2 2 392.632 3.793 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)C2 ZINC000372949271 925783361 /nfs/dbraw/zinc/78/33/61/925783361.db2.gz MTBSPPKQXJCFRX-RXVVDRJESA-N 2 2 380.536 3.591 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)CC2 ZINC000372949271 925783365 /nfs/dbraw/zinc/78/33/65/925783365.db2.gz MTBSPPKQXJCFRX-RXVVDRJESA-N 2 2 380.536 3.591 20 0 GHADLP Cc1ccc(N2CCC(C(=O)N[C@@H](C)[C@H](c3ccccc3C)[NH+](C)C)CC2)[nH+]c1 ZINC000682396078 926098289 /nfs/dbraw/zinc/09/82/89/926098289.db2.gz MJNFKVVCIGHQLW-WMZHIEFXSA-N 2 2 394.563 3.722 20 0 GHADLP O=c1[nH]c2ccccc2cc1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373483185 926179103 /nfs/dbraw/zinc/17/91/03/926179103.db2.gz ITGIEWDHGFFSFM-UHFFFAOYSA-N 2 2 379.426 3.835 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411263306 926256833 /nfs/dbraw/zinc/25/68/33/926256833.db2.gz UZGXPCYCGCSGAQ-UHFFFAOYSA-N 2 2 378.520 3.598 20 0 GHADLP O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411381713 926346133 /nfs/dbraw/zinc/34/61/33/926346133.db2.gz SKOIYAJMJLDSGK-IBGZPJMESA-N 2 2 384.549 3.732 20 0 GHADLP O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411381713 926346144 /nfs/dbraw/zinc/34/61/44/926346144.db2.gz SKOIYAJMJLDSGK-IBGZPJMESA-N 2 2 384.549 3.732 20 0 GHADLP C[C@H]1C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)Cc2ccccc21 ZINC000725795451 926440734 /nfs/dbraw/zinc/44/07/34/926440734.db2.gz VIYAZJTUQDKNBA-SFHVURJKSA-N 2 2 395.572 3.793 20 0 GHADLP C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)Cc2ccccc21 ZINC000725795451 926440738 /nfs/dbraw/zinc/44/07/38/926440738.db2.gz VIYAZJTUQDKNBA-SFHVURJKSA-N 2 2 395.572 3.793 20 0 GHADLP CCOc1ccccc1NC(=O)CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000411499104 926466292 /nfs/dbraw/zinc/46/62/92/926466292.db2.gz CIZODVZLZCZUAG-UHFFFAOYSA-N 2 2 384.524 3.803 20 0 GHADLP CCOC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000411688816 926654322 /nfs/dbraw/zinc/65/43/22/926654322.db2.gz IVLVKWRYBJALIA-NRFANRHFSA-N 2 2 381.520 3.649 20 0 GHADLP CCOC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000411688816 926654326 /nfs/dbraw/zinc/65/43/26/926654326.db2.gz IVLVKWRYBJALIA-NRFANRHFSA-N 2 2 381.520 3.649 20 0 GHADLP CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000412208870 927209911 /nfs/dbraw/zinc/20/99/11/927209911.db2.gz FCMRFGVPLHWHHH-LDVJMBRRSA-N 2 2 383.580 3.586 20 0 GHADLP CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000412208870 927209920 /nfs/dbraw/zinc/20/99/20/927209920.db2.gz FCMRFGVPLHWHHH-LDVJMBRRSA-N 2 2 383.580 3.586 20 0 GHADLP c1cn(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)cn2)cn1 ZINC000750056806 927409497 /nfs/dbraw/zinc/40/94/97/927409497.db2.gz JBVKXXZCYZAOGM-XMMPIXPASA-N 2 2 387.531 3.755 20 0 GHADLP c1cn(-c2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)cn2)cn1 ZINC000750056806 927409503 /nfs/dbraw/zinc/40/95/03/927409503.db2.gz JBVKXXZCYZAOGM-XMMPIXPASA-N 2 2 387.531 3.755 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)cn2)cn1 ZINC000750056806 927409511 /nfs/dbraw/zinc/40/95/11/927409511.db2.gz JBVKXXZCYZAOGM-XMMPIXPASA-N 2 2 387.531 3.755 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)cn2)cn1 ZINC000750056806 927409518 /nfs/dbraw/zinc/40/95/18/927409518.db2.gz JBVKXXZCYZAOGM-XMMPIXPASA-N 2 2 387.531 3.755 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000374797287 927533218 /nfs/dbraw/zinc/53/32/18/927533218.db2.gz GVFDWOXSNIDSPB-NNZMDNLPSA-N 2 2 378.442 3.731 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000374797287 927533224 /nfs/dbraw/zinc/53/32/24/927533224.db2.gz GVFDWOXSNIDSPB-NNZMDNLPSA-N 2 2 378.442 3.731 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(N(C)C)[nH+]1 ZINC000750402257 927605521 /nfs/dbraw/zinc/60/55/21/927605521.db2.gz ICGHLBPSKOWAMN-QUCCMNQESA-N 2 2 395.551 3.973 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(N(C)C)[nH+]1 ZINC000750402257 927605528 /nfs/dbraw/zinc/60/55/28/927605528.db2.gz ICGHLBPSKOWAMN-QUCCMNQESA-N 2 2 395.551 3.973 20 0 GHADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000375266815 928105103 /nfs/dbraw/zinc/10/51/03/928105103.db2.gz RHJRINQWUGBACE-LJQANCHMSA-N 2 2 382.552 3.748 20 0 GHADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000375266815 928105115 /nfs/dbraw/zinc/10/51/15/928105115.db2.gz RHJRINQWUGBACE-LJQANCHMSA-N 2 2 382.552 3.748 20 0 GHADLP O[C@H](CO[C@@H]1CCCc2ccccc21)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543989341 928654985 /nfs/dbraw/zinc/65/49/85/928654985.db2.gz DQPYTLCTCXVWGX-LADGPHEKSA-N 2 2 397.563 3.830 20 0 GHADLP C[C@@H]1CCc2c(sc3nc(CC[NH+]4CCC(c5[nH]cc[nH+]5)CC4)nc(N)c32)C1 ZINC000467126499 928729903 /nfs/dbraw/zinc/72/99/03/928729903.db2.gz DMSJPJLPNLMHKH-CYBMUJFWSA-N 2 2 396.564 3.544 20 0 GHADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000544353151 929083708 /nfs/dbraw/zinc/08/37/08/929083708.db2.gz PNMGMUHDEJIGDE-UHFFFAOYSA-N 2 2 379.346 3.711 20 0 GHADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000544353151 929083720 /nfs/dbraw/zinc/08/37/20/929083720.db2.gz PNMGMUHDEJIGDE-UHFFFAOYSA-N 2 2 379.346 3.711 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)C1 ZINC000467737823 929356401 /nfs/dbraw/zinc/35/64/01/929356401.db2.gz OHNIKZJNZPVELJ-QIJUGHKUSA-N 2 2 394.003 3.669 20 0 GHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)C1 ZINC000467737823 929356413 /nfs/dbraw/zinc/35/64/13/929356413.db2.gz OHNIKZJNZPVELJ-QIJUGHKUSA-N 2 2 394.003 3.669 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](c2ccc(Cl)cc2)[C@H]2C[NH+](C)CCO2)C1 ZINC000467737823 929356420 /nfs/dbraw/zinc/35/64/20/929356420.db2.gz OHNIKZJNZPVELJ-QIJUGHKUSA-N 2 2 394.003 3.669 20 0 GHADLP CC(C)C[N@H+]1CCC[C@H](CN[C@@H](c2ccc(Cl)cc2)[C@H]2C[NH+](C)CCO2)C1 ZINC000467737823 929356427 /nfs/dbraw/zinc/35/64/27/929356427.db2.gz OHNIKZJNZPVELJ-QIJUGHKUSA-N 2 2 394.003 3.669 20 0 GHADLP CC(C)C[NH+]1CCC[C@H](CN[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C1 ZINC000467737823 929356434 /nfs/dbraw/zinc/35/64/34/929356434.db2.gz OHNIKZJNZPVELJ-QIJUGHKUSA-N 2 2 394.003 3.669 20 0 GHADLP CC(C)C[NH+]1CCC[C@H](CN[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000467737823 929356438 /nfs/dbraw/zinc/35/64/38/929356438.db2.gz OHNIKZJNZPVELJ-QIJUGHKUSA-N 2 2 394.003 3.669 20 0 GHADLP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1nc(C(F)(F)F)cs1 ZINC000467748757 929368454 /nfs/dbraw/zinc/36/84/54/929368454.db2.gz ZYJOWJADMGJFNR-OAHLLOKOSA-N 2 2 398.498 3.630 20 0 GHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000753535019 929394872 /nfs/dbraw/zinc/39/48/72/929394872.db2.gz HBOSHCFVKQNZQG-UHFFFAOYSA-N 2 2 376.526 3.765 20 0 GHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000753535019 929394881 /nfs/dbraw/zinc/39/48/81/929394881.db2.gz HBOSHCFVKQNZQG-UHFFFAOYSA-N 2 2 376.526 3.765 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CCC2 ZINC000546268349 930006755 /nfs/dbraw/zinc/00/67/55/930006755.db2.gz WTGMKHSYFXPKRM-STZQEDGTSA-N 2 2 382.552 3.550 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CCC2 ZINC000546268349 930006759 /nfs/dbraw/zinc/00/67/59/930006759.db2.gz WTGMKHSYFXPKRM-STZQEDGTSA-N 2 2 382.552 3.550 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000470362525 930561409 /nfs/dbraw/zinc/56/14/09/930561409.db2.gz DRHRQFMMSOYSOP-UXHICEINSA-N 2 2 387.886 3.648 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000470362525 930561422 /nfs/dbraw/zinc/56/14/22/930561422.db2.gz DRHRQFMMSOYSOP-UXHICEINSA-N 2 2 387.886 3.648 20 0 GHADLP CSc1ccccc1C[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000471011614 931092974 /nfs/dbraw/zinc/09/29/74/931092974.db2.gz ZXPAIODUPCVKSB-UHFFFAOYSA-N 2 2 397.588 3.753 20 0 GHADLP CSc1ccccc1C[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000471011614 931092984 /nfs/dbraw/zinc/09/29/84/931092984.db2.gz ZXPAIODUPCVKSB-UHFFFAOYSA-N 2 2 397.588 3.753 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3CCN(CC(F)(F)F)CC3)CC2)cc1 ZINC000783299979 931513426 /nfs/dbraw/zinc/51/34/26/931513426.db2.gz XPXUTPBWWTZVIM-UHFFFAOYSA-N 2 2 398.517 3.585 20 0 GHADLP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCCc3c(Cl)ccnc32)c2ccccc2)CC1 ZINC000924928019 931587944 /nfs/dbraw/zinc/58/79/44/931587944.db2.gz NTCRAPWBJOWVBN-SFTDATJTSA-N 2 2 384.955 3.691 20 0 GHADLP C[C@H]([NH2+][C@H]1CCc2c1nccc2Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000924963894 931597233 /nfs/dbraw/zinc/59/72/33/931597233.db2.gz MYOVXNCQIHNFBI-LIRRHRJNSA-N 2 2 388.918 3.964 20 0 GHADLP O=C(NCc1ccncc1)Nc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000925059229 931630120 /nfs/dbraw/zinc/63/01/20/931630120.db2.gz GWKQILLERQTCIN-FCHUYYIVSA-N 2 2 393.535 3.510 20 0 GHADLP O=C(NCc1ccncc1)Nc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000925059229 931630124 /nfs/dbraw/zinc/63/01/24/931630124.db2.gz GWKQILLERQTCIN-FCHUYYIVSA-N 2 2 393.535 3.510 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1cnnn1C ZINC000925089596 931641136 /nfs/dbraw/zinc/64/11/36/931641136.db2.gz KNRMKTOZLFNJPF-DHSIGJKJSA-N 2 2 381.446 3.568 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1cnnn1C ZINC000925089596 931641142 /nfs/dbraw/zinc/64/11/42/931641142.db2.gz KNRMKTOZLFNJPF-DHSIGJKJSA-N 2 2 381.446 3.568 20 0 GHADLP C[C@H]([NH2+]Cc1nnc2n1CCC[C@H]2C(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000925173013 931689378 /nfs/dbraw/zinc/68/93/78/931689378.db2.gz WKFXRHZCPAEYOO-XJKSGUPXSA-N 2 2 381.446 3.630 20 0 GHADLP CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000925173170 931689401 /nfs/dbraw/zinc/68/94/01/931689401.db2.gz WSVCAUJVFYRYCK-FCWGVCEXSA-N 2 2 388.556 3.822 20 0 GHADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)C1 ZINC000783972105 931735936 /nfs/dbraw/zinc/73/59/36/931735936.db2.gz BRSYZUBIDMTJCB-GFCCVEGCSA-N 2 2 381.307 3.525 20 0 GHADLP Cc1cccc([C@@H]2CC(=O)N(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)C2)c1 ZINC000783993008 931743938 /nfs/dbraw/zinc/74/39/38/931743938.db2.gz MBYAMZGPUJNORL-JOCHJYFZSA-N 2 2 380.536 3.657 20 0 GHADLP C[C@H]1CC[N@H+](CCOc2ccc(NC3CCN(c4cccc[nH+]4)CC3)cc2)C1 ZINC000777584309 932013996 /nfs/dbraw/zinc/01/39/96/932013996.db2.gz XMKYXNORMQEWJV-IBGZPJMESA-N 2 2 380.536 3.883 20 0 GHADLP C[C@H]1CC[N@@H+](CCOc2ccc(NC3CCN(c4cccc[nH+]4)CC3)cc2)C1 ZINC000777584309 932014005 /nfs/dbraw/zinc/01/40/05/932014005.db2.gz XMKYXNORMQEWJV-IBGZPJMESA-N 2 2 380.536 3.883 20 0 GHADLP COc1c(C)cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000796779637 932064744 /nfs/dbraw/zinc/06/47/44/932064744.db2.gz QBTOEDUUNJELLS-JTSKRJEESA-N 2 2 388.939 3.945 20 0 GHADLP COc1c(C)cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000796779637 932064753 /nfs/dbraw/zinc/06/47/53/932064753.db2.gz QBTOEDUUNJELLS-JTSKRJEESA-N 2 2 388.939 3.945 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1nc(Br)ccc1F ZINC000926635317 932255874 /nfs/dbraw/zinc/25/58/74/932255874.db2.gz NEKKBFUIIODIBP-BMFZPTHFSA-N 2 2 392.316 3.979 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1nc(Br)ccc1F ZINC000926635317 932255880 /nfs/dbraw/zinc/25/58/80/932255880.db2.gz NEKKBFUIIODIBP-BMFZPTHFSA-N 2 2 392.316 3.979 20 0 GHADLP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000927097413 932410567 /nfs/dbraw/zinc/41/05/67/932410567.db2.gz PCSFROMWCLTBJN-UHFFFAOYSA-N 2 2 396.535 3.519 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]C[C@@]3(C)CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000798498265 932672173 /nfs/dbraw/zinc/67/21/73/932672173.db2.gz PNWZEQLCOKDKLC-JOCHJYFZSA-N 2 2 397.954 3.932 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]C[C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000798498265 932672175 /nfs/dbraw/zinc/67/21/75/932672175.db2.gz PNWZEQLCOKDKLC-JOCHJYFZSA-N 2 2 397.954 3.932 20 0 GHADLP CC1([NH+]2CCCC2)CCC(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000928010225 932762448 /nfs/dbraw/zinc/76/24/48/932762448.db2.gz WENVYPUCBNCGIG-LRZVDXDASA-N 2 2 380.536 3.845 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)[nH+]c2)CC1 ZINC000559817663 932876318 /nfs/dbraw/zinc/87/63/18/932876318.db2.gz KZVKSMBMTKLQKX-REWPJTCUSA-N 3 2 393.579 3.859 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)[nH+]c2)CC1 ZINC000559817663 932876326 /nfs/dbraw/zinc/87/63/26/932876326.db2.gz KZVKSMBMTKLQKX-REWPJTCUSA-N 3 2 393.579 3.859 20 0 GHADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H](c1sccc1Br)C1CCCCC1 ZINC000560244258 933152441 /nfs/dbraw/zinc/15/24/41/933152441.db2.gz BNJAAMSNCGTRRS-UKRRQHHQSA-N 2 2 375.376 3.644 20 0 GHADLP C[C@H](c1cccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000560742795 933519192 /nfs/dbraw/zinc/51/91/92/933519192.db2.gz FYIALKFLCQDDSX-GCJKJVERSA-N 2 2 396.535 3.504 20 0 GHADLP CS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)C1 ZINC001117720016 933996300 /nfs/dbraw/zinc/99/63/00/933996300.db2.gz BUKANHRTMWJNCF-IAGOWNOFSA-N 2 2 396.626 3.529 20 0 GHADLP CS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)C1 ZINC001117720016 933996305 /nfs/dbraw/zinc/99/63/05/933996305.db2.gz BUKANHRTMWJNCF-IAGOWNOFSA-N 2 2 396.626 3.529 20 0 GHADLP C[NH+](C)C1CCC(NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000561482196 934203982 /nfs/dbraw/zinc/20/39/82/934203982.db2.gz LCJSVXWDPSXIEH-UHFFFAOYSA-N 2 2 381.524 3.881 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000562083761 934681115 /nfs/dbraw/zinc/68/11/15/934681115.db2.gz HCSXODLWSGPIBB-LJQANCHMSA-N 2 2 377.492 3.757 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000562083761 934681119 /nfs/dbraw/zinc/68/11/19/934681119.db2.gz HCSXODLWSGPIBB-LJQANCHMSA-N 2 2 377.492 3.757 20 0 GHADLP C[C@@H](c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)cc1)[NH+]1CCOCC1 ZINC000932073184 934816176 /nfs/dbraw/zinc/81/61/76/934816176.db2.gz LNJSCKBBMRIAPT-SFHVURJKSA-N 2 2 397.519 3.911 20 0 GHADLP CC(C)(O)c1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000830172939 935909007 /nfs/dbraw/zinc/90/90/07/935909007.db2.gz MXKNPBJOCAWADI-UHFFFAOYSA-N 2 2 395.591 3.602 20 0 GHADLP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)c1 ZINC001625976413 1014607228 /nfs/dbraw/zinc/60/72/28/1014607228.db2.gz JMRGWRVUFIJVNO-HDICACEKSA-N 2 2 382.508 3.631 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000545205087 1015651239 /nfs/dbraw/zinc/65/12/39/1015651239.db2.gz VFDXLTAUOCHGPZ-UHFFFAOYSA-N 2 2 382.504 3.986 20 0 GHADLP CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000468946799 1016258071 /nfs/dbraw/zinc/25/80/71/1016258071.db2.gz NBCMBMDLRFFSML-BGYRXZFFSA-N 2 2 398.551 3.574 20 0 GHADLP CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000468946799 1016258083 /nfs/dbraw/zinc/25/80/83/1016258083.db2.gz NBCMBMDLRFFSML-BGYRXZFFSA-N 2 2 398.551 3.574 20 0 GHADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)C1 ZINC000545866197 1016544421 /nfs/dbraw/zinc/54/44/21/1016544421.db2.gz SDIWUJWGMXNAGT-ICSRJNTNSA-N 2 2 396.865 3.687 20 0 GHADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)C1 ZINC000545866197 1016544437 /nfs/dbraw/zinc/54/44/37/1016544437.db2.gz SDIWUJWGMXNAGT-ICSRJNTNSA-N 2 2 396.865 3.687 20 0 GHADLP C[NH+](C)Cc1cc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)ccc1F ZINC000547159391 1016836472 /nfs/dbraw/zinc/83/64/72/1016836472.db2.gz LBUGOPJQYYYCOQ-HXUWFJFHSA-N 2 2 396.466 3.511 20 0 GHADLP C[NH+](C)Cc1cc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)ccc1F ZINC000547159391 1016836491 /nfs/dbraw/zinc/83/64/91/1016836491.db2.gz LBUGOPJQYYYCOQ-HXUWFJFHSA-N 2 2 396.466 3.511 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(F)c1)CC2 ZINC001204229156 1032674996 /nfs/dbraw/zinc/67/49/96/1032674996.db2.gz AAZNBLIVOCCIOW-NRFANRHFSA-N 2 2 387.474 3.615 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(F)c1)CC2 ZINC001204229156 1032675009 /nfs/dbraw/zinc/67/50/09/1032675009.db2.gz AAZNBLIVOCCIOW-NRFANRHFSA-N 2 2 387.474 3.615 20 0 GHADLP Fc1cccc(F)c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000559326111 1017426960 /nfs/dbraw/zinc/42/69/60/1017426960.db2.gz BOXHRGFHJQTCOS-IBGZPJMESA-N 2 2 386.486 3.983 20 0 GHADLP Fc1cccc(F)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000559326111 1017426967 /nfs/dbraw/zinc/42/69/67/1017426967.db2.gz BOXHRGFHJQTCOS-IBGZPJMESA-N 2 2 386.486 3.983 20 0 GHADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000560447518 1017630455 /nfs/dbraw/zinc/63/04/55/1017630455.db2.gz WNNQQEXGTBGKNO-HTAPYJJXSA-N 2 2 393.535 3.541 20 0 GHADLP Cc1cn2c(nc(C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc2=O)s1 ZINC000929805587 1017742726 /nfs/dbraw/zinc/74/27/26/1017742726.db2.gz DDRVFDZYBHTRAC-UZLBHIALSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1cn2c(nc(C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc2=O)s1 ZINC000929805587 1017742729 /nfs/dbraw/zinc/74/27/29/1017742729.db2.gz DDRVFDZYBHTRAC-UZLBHIALSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1cn2c(nc(C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cc2=O)s1 ZINC000929805587 1017742732 /nfs/dbraw/zinc/74/27/32/1017742732.db2.gz DDRVFDZYBHTRAC-UZLBHIALSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1cn2c(nc(C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cc2=O)s1 ZINC000929805587 1017742737 /nfs/dbraw/zinc/74/27/37/1017742737.db2.gz DDRVFDZYBHTRAC-UZLBHIALSA-N 2 2 396.560 3.549 20 0 GHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000562902487 1018782456 /nfs/dbraw/zinc/78/24/56/1018782456.db2.gz WPIYGQUKROGRPS-AZUAARDMSA-N 2 2 392.469 3.866 20 0 GHADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000562902487 1018782467 /nfs/dbraw/zinc/78/24/67/1018782467.db2.gz WPIYGQUKROGRPS-AZUAARDMSA-N 2 2 392.469 3.866 20 0 GHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000562902487 1018782480 /nfs/dbraw/zinc/78/24/80/1018782480.db2.gz WPIYGQUKROGRPS-AZUAARDMSA-N 2 2 392.469 3.866 20 0 GHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000562902487 1018782497 /nfs/dbraw/zinc/78/24/97/1018782497.db2.gz WPIYGQUKROGRPS-AZUAARDMSA-N 2 2 392.469 3.866 20 0 GHADLP COc1ccccc1/C=C\C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000567428654 1019293213 /nfs/dbraw/zinc/29/32/13/1019293213.db2.gz LSMWVCHZTHIAKS-LZCXRCMXSA-N 2 2 391.559 3.601 20 0 GHADLP COc1ccccc1/C=C\C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000567428654 1019293217 /nfs/dbraw/zinc/29/32/17/1019293217.db2.gz LSMWVCHZTHIAKS-LZCXRCMXSA-N 2 2 391.559 3.601 20 0 GHADLP Cc1[nH+]c2ccccc2c(N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)c1C ZINC000568687611 1019439220 /nfs/dbraw/zinc/43/92/20/1019439220.db2.gz QRLMFCCROJTMQS-HKUYNNGSSA-N 2 2 381.499 3.634 20 0 GHADLP Cc1[nH+]c2ccccc2c(N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)c1C ZINC000568687611 1019439226 /nfs/dbraw/zinc/43/92/26/1019439226.db2.gz QRLMFCCROJTMQS-HKUYNNGSSA-N 2 2 381.499 3.634 20 0 GHADLP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cc(Br)ccc1O ZINC000155578379 1019505106 /nfs/dbraw/zinc/50/51/06/1019505106.db2.gz DNIORQSYSXYMHT-QGZVFWFLSA-N 2 2 385.346 3.696 20 0 GHADLP C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)N2c1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001156004908 1032835390 /nfs/dbraw/zinc/83/53/90/1032835390.db2.gz LLZROWFYCUFJRO-RDGATRHJSA-N 2 2 397.526 3.785 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000572327036 1019765452 /nfs/dbraw/zinc/76/54/52/1019765452.db2.gz RUTWZFNFWAODTC-HNNXBMFYSA-N 2 2 379.346 3.554 20 0 GHADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000572327036 1019765469 /nfs/dbraw/zinc/76/54/69/1019765469.db2.gz RUTWZFNFWAODTC-HNNXBMFYSA-N 2 2 379.346 3.554 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)C2)s1 ZINC000577304836 1020162989 /nfs/dbraw/zinc/16/29/89/1020162989.db2.gz MGKBCCPPXUDSPX-WQZMEWCLSA-N 2 2 391.625 3.751 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)C2)s1 ZINC000577304836 1020162995 /nfs/dbraw/zinc/16/29/95/1020162995.db2.gz MGKBCCPPXUDSPX-WQZMEWCLSA-N 2 2 391.625 3.751 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)C2)s1 ZINC000577304836 1020163001 /nfs/dbraw/zinc/16/30/01/1020163001.db2.gz MGKBCCPPXUDSPX-WQZMEWCLSA-N 2 2 391.625 3.751 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)C2)s1 ZINC000577304836 1020163005 /nfs/dbraw/zinc/16/30/05/1020163005.db2.gz MGKBCCPPXUDSPX-WQZMEWCLSA-N 2 2 391.625 3.751 20 0 GHADLP C[NH+](C)C1(CNC(F)(F)c2cc3ccccc3nc2Cl)CC[NH+](C)CC1 ZINC001156185562 1032915966 /nfs/dbraw/zinc/91/59/66/1032915966.db2.gz SLYLRHOGUYJVEE-UHFFFAOYSA-N 2 2 382.886 3.553 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)s1 ZINC000796292935 1021127767 /nfs/dbraw/zinc/12/77/67/1021127767.db2.gz IKWABVUTOOEJQN-QGZVFWFLSA-N 2 2 396.601 3.768 20 0 GHADLP CC[NH+]1C[C@H]2C[NH+](Cc3cnc(-c4ccc(Br)cc4)s3)C[C@@H]2C1 ZINC001140299607 1021344424 /nfs/dbraw/zinc/34/44/24/1021344424.db2.gz BQJQAZFMGFXVMM-GJZGRUSLSA-N 2 2 392.366 3.956 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1sc(NC(C)(C)C)nc1Cl)CC2 ZINC001140395434 1021557274 /nfs/dbraw/zinc/55/72/74/1021557274.db2.gz UXWGDXXTZFIDBD-UHFFFAOYSA-N 2 2 385.965 3.637 20 0 GHADLP Cc1c(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)cnn1-c1cc[nH+]cc1 ZINC000162158579 1021769935 /nfs/dbraw/zinc/76/99/35/1021769935.db2.gz AOFSGKUUZNSQLW-UHFFFAOYSA-N 2 2 375.476 3.800 20 0 GHADLP Cc1c(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)cnn1-c1cc[nH+]cc1 ZINC000162158579 1021769940 /nfs/dbraw/zinc/76/99/40/1021769940.db2.gz AOFSGKUUZNSQLW-UHFFFAOYSA-N 2 2 375.476 3.800 20 0 GHADLP COC(=O)c1cccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)c1 ZINC001204652434 1033015264 /nfs/dbraw/zinc/01/52/64/1033015264.db2.gz MKBDTDWFGJRSMX-UHFFFAOYSA-N 2 2 397.519 3.709 20 0 GHADLP COC(=O)c1cccc(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)c1 ZINC001204652434 1033015274 /nfs/dbraw/zinc/01/52/74/1033015274.db2.gz MKBDTDWFGJRSMX-UHFFFAOYSA-N 2 2 397.519 3.709 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c(F)cc(F)cc1F)CC2 ZINC001140532146 1021928484 /nfs/dbraw/zinc/92/84/84/1021928484.db2.gz YDBUVOLBYBSWTQ-INIZCTEOSA-N 2 2 394.437 3.952 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c(F)cc(F)cc1F)CC2 ZINC001140532146 1021928486 /nfs/dbraw/zinc/92/84/86/1021928486.db2.gz YDBUVOLBYBSWTQ-INIZCTEOSA-N 2 2 394.437 3.952 20 0 GHADLP CN(C(=O)CCCc1ccc2ccccc2c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678840946 1021930601 /nfs/dbraw/zinc/93/06/01/1021930601.db2.gz LHWXHDMSRHBEJG-DEOSSOPVSA-N 2 2 393.575 3.789 20 0 GHADLP CN(C(=O)CCCc1ccc2ccccc2c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678840946 1021930604 /nfs/dbraw/zinc/93/06/04/1021930604.db2.gz LHWXHDMSRHBEJG-DEOSSOPVSA-N 2 2 393.575 3.789 20 0 GHADLP CN(C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681212135 1022266677 /nfs/dbraw/zinc/26/66/77/1022266677.db2.gz NESFDYQQEGVSNI-ZRBLBEILSA-N 2 2 398.595 3.523 20 0 GHADLP CN(C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681212135 1022266683 /nfs/dbraw/zinc/26/66/83/1022266683.db2.gz NESFDYQQEGVSNI-ZRBLBEILSA-N 2 2 398.595 3.523 20 0 GHADLP CCC1(CNC(=O)c2cccc3[nH+]ccn32)CC[NH+](Cc2ccccc2)CC1 ZINC000754108034 1022487837 /nfs/dbraw/zinc/48/78/37/1022487837.db2.gz YKXXZWBXBIJMHL-UHFFFAOYSA-N 2 2 376.504 3.757 20 0 GHADLP Clc1ccc([C@@]23C[C@@H]2CN(c2ccc(N4CC[NH2+]CC4)c[nH+]2)C3)cc1Cl ZINC001156522530 1033081426 /nfs/dbraw/zinc/08/14/26/1033081426.db2.gz FYSYDYJIHRZYFN-QRWLVFNGSA-N 2 2 389.330 3.576 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2cnccc2NC(=O)OC(C)(C)C)C2CCCC2)CC1 ZINC001140913972 1022862966 /nfs/dbraw/zinc/86/29/66/1022862966.db2.gz DQHRPRXGKKAHBF-UHFFFAOYSA-N 2 2 388.556 3.689 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2cnccc2NC(=O)OC(C)(C)C)C2CCCC2)CC1 ZINC001140913972 1022862973 /nfs/dbraw/zinc/86/29/73/1022862973.db2.gz DQHRPRXGKKAHBF-UHFFFAOYSA-N 2 2 388.556 3.689 20 0 GHADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc(-c5ncccn5)c4)C[C@H]3C2)c1 ZINC001140978795 1023069145 /nfs/dbraw/zinc/06/91/45/1023069145.db2.gz REXHCZRNOIXEOZ-PMACEKPBSA-N 2 2 376.529 3.769 20 0 GHADLP CC1CCC(=CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000755205463 1023126281 /nfs/dbraw/zinc/12/62/81/1023126281.db2.gz JAWDSVNCMSKMLB-YPFKAFGZSA-N 2 2 375.601 3.919 20 0 GHADLP CC1CCC(=CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000755205463 1023126289 /nfs/dbraw/zinc/12/62/89/1023126289.db2.gz JAWDSVNCMSKMLB-YPFKAFGZSA-N 2 2 375.601 3.919 20 0 GHADLP Cc1ccc(/C=C\c2nc(=S)n(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)[nH]2)o1 ZINC000755778254 1023373402 /nfs/dbraw/zinc/37/34/02/1023373402.db2.gz FIQCQIGJFQUVTO-OSJSJHBBSA-N 2 2 387.553 3.634 20 0 GHADLP Cc1ccc(/C=C\c2nc(=S)n(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)[nH]2)o1 ZINC000755778254 1023373415 /nfs/dbraw/zinc/37/34/15/1023373415.db2.gz FIQCQIGJFQUVTO-OSJSJHBBSA-N 2 2 387.553 3.634 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@H+](Cn3nc(-c4ccc(F)cc4)oc3=S)C2)CC1 ZINC000755778011 1023373666 /nfs/dbraw/zinc/37/36/66/1023373666.db2.gz CVPSFTQEDKRYJG-INIZCTEOSA-N 2 2 376.501 3.633 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3nc(-c4ccc(F)cc4)oc3=S)C2)CC1 ZINC000755778011 1023373684 /nfs/dbraw/zinc/37/36/84/1023373684.db2.gz CVPSFTQEDKRYJG-INIZCTEOSA-N 2 2 376.501 3.633 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3[nH]c(/C=C\c4ccccc4)nc3=S)C2)CC1 ZINC000755780131 1023373928 /nfs/dbraw/zinc/37/39/28/1023373928.db2.gz WCTONRHPYWIMGF-QULHZPMSSA-N 2 2 383.565 3.732 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3[nH]c(/C=C\c4ccccc4)nc3=S)C2)CC1 ZINC000755780131 1023373943 /nfs/dbraw/zinc/37/39/43/1023373943.db2.gz WCTONRHPYWIMGF-QULHZPMSSA-N 2 2 383.565 3.732 20 0 GHADLP COc1ccc2nc(Cl)c(C[NH+]3CCN(c4cc[nH+]cc4C)CC3)cc2c1 ZINC001141066501 1023415309 /nfs/dbraw/zinc/41/53/09/1023415309.db2.gz GOVZTTZKISLLRG-UHFFFAOYSA-N 2 2 382.895 3.922 20 0 GHADLP CC[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141243571 1024250623 /nfs/dbraw/zinc/25/06/23/1024250623.db2.gz MZZHEWPQAMYFNN-LJQANCHMSA-N 2 2 384.524 3.951 20 0 GHADLP CC[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141243571 1024250634 /nfs/dbraw/zinc/25/06/34/1024250634.db2.gz MZZHEWPQAMYFNN-LJQANCHMSA-N 2 2 384.524 3.951 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1c3ccccc3[nH]c1C(C)(C)C)CC2 ZINC001138312287 1024621644 /nfs/dbraw/zinc/62/16/44/1024621644.db2.gz UZJHVGQFTBQWAA-UHFFFAOYSA-N 2 2 396.579 3.642 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1c3ccccc3[nH]c1C(C)(C)C)CC2 ZINC001138312287 1024621657 /nfs/dbraw/zinc/62/16/57/1024621657.db2.gz UZJHVGQFTBQWAA-UHFFFAOYSA-N 2 2 396.579 3.642 20 0 GHADLP Cc1ccc2[nH]c(C[NH+]3CCC4(CCC[N@H+]4Cc4ccn(C)n4)CC3)cc2c1 ZINC001138416227 1024804739 /nfs/dbraw/zinc/80/47/39/1024804739.db2.gz UXVZWIBBMJALFP-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP Cc1ccc2[nH]c(C[NH+]3CCC4(CCC[N@@H+]4Cc4ccn(C)n4)CC3)cc2c1 ZINC001138416227 1024804755 /nfs/dbraw/zinc/80/47/55/1024804755.db2.gz UXVZWIBBMJALFP-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)c2ccccc2[nH+]1 ZINC001141388171 1024834639 /nfs/dbraw/zinc/83/46/39/1024834639.db2.gz LKDRCWSBJOZZOE-UHFFFAOYSA-N 2 2 393.462 3.871 20 0 GHADLP CCOC(=O)c1c[nH]c2cc(N(C)Cc3ccc(-n4cc[nH+]c4)cc3)[nH+]cc21 ZINC001156788210 1033242985 /nfs/dbraw/zinc/24/29/85/1033242985.db2.gz OQNBDQSLWIKJAO-UHFFFAOYSA-N 2 2 375.432 3.562 20 0 GHADLP COc1ccc(Cl)cc1C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001138482093 1024911651 /nfs/dbraw/zinc/91/16/51/1024911651.db2.gz AEKFPNBUHJHZAE-UHFFFAOYSA-N 2 2 388.943 3.713 20 0 GHADLP COc1ccc(Cl)cc1C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001138482093 1024911654 /nfs/dbraw/zinc/91/16/54/1024911654.db2.gz AEKFPNBUHJHZAE-UHFFFAOYSA-N 2 2 388.943 3.713 20 0 GHADLP FC1CC[NH+](C2CC[NH+](Cc3ccc(OC4CCOCC4)cc3)CC2)CC1 ZINC001141413151 1024932446 /nfs/dbraw/zinc/93/24/46/1024932446.db2.gz HUOZOGLKVVDMNG-UHFFFAOYSA-N 2 2 376.516 3.643 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)cc1 ZINC001138549489 1024997219 /nfs/dbraw/zinc/99/72/19/1024997219.db2.gz XEYPKIQOPUTRMP-UHFFFAOYSA-N 2 2 382.508 3.766 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)cc1 ZINC001138549489 1024997228 /nfs/dbraw/zinc/99/72/28/1024997228.db2.gz XEYPKIQOPUTRMP-UHFFFAOYSA-N 2 2 382.508 3.766 20 0 GHADLP Cc1nc(C(F)(F)F)ccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001141432673 1025035807 /nfs/dbraw/zinc/03/58/07/1025035807.db2.gz GYMQSVKNDWSUNT-OALUTQOASA-N 2 2 375.438 3.973 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cnn(-c5ccc(F)cc5)c4)C[C@H]3C2)cc1 ZINC001138647588 1025158575 /nfs/dbraw/zinc/15/85/75/1025158575.db2.gz DCQRKYRGCVVTOP-FGZHOGPDSA-N 2 2 390.506 3.884 20 0 GHADLP CSc1ncc(C[NH+]2CCC3(CCn4c(-c5ccccc5)c[nH+]c43)CC2)cn1 ZINC001138704049 1025229407 /nfs/dbraw/zinc/22/94/07/1025229407.db2.gz VWBJOYYBYYEPIB-UHFFFAOYSA-N 2 2 391.544 4.000 20 0 GHADLP C[N@H+](Cc1ccccc1N1CCC(O)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001138758886 1025314685 /nfs/dbraw/zinc/31/46/85/1025314685.db2.gz SSJLGLPUCHSAFH-UHFFFAOYSA-N 2 2 393.575 3.744 20 0 GHADLP C[N@@H+](Cc1ccccc1N1CCC(O)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001138758886 1025314700 /nfs/dbraw/zinc/31/47/00/1025314700.db2.gz SSJLGLPUCHSAFH-UHFFFAOYSA-N 2 2 393.575 3.744 20 0 GHADLP C[N@H+](CCNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CCCCC1 ZINC001229100041 1033280076 /nfs/dbraw/zinc/28/00/76/1033280076.db2.gz XXOGNSDTANMVOA-UHFFFAOYSA-N 2 2 389.931 3.589 20 0 GHADLP C[N@@H+](CCNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CCCCC1 ZINC001229100041 1033280091 /nfs/dbraw/zinc/28/00/91/1033280091.db2.gz XXOGNSDTANMVOA-UHFFFAOYSA-N 2 2 389.931 3.589 20 0 GHADLP COc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c(OC)cc1Br ZINC001138915171 1025576907 /nfs/dbraw/zinc/57/69/07/1025576907.db2.gz UDVXWBWOBQMQTO-UHFFFAOYSA-N 2 2 385.346 3.771 20 0 GHADLP COc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c(OC)cc1Br ZINC001138915171 1025576919 /nfs/dbraw/zinc/57/69/19/1025576919.db2.gz UDVXWBWOBQMQTO-UHFFFAOYSA-N 2 2 385.346 3.771 20 0 GHADLP CCOc1ccc(CNc2cccc(N3CC[NH+](C)CC3)[nH+]2)cc1C(F)(F)F ZINC001162181790 1025654086 /nfs/dbraw/zinc/65/40/86/1025654086.db2.gz XSLMDPKEUKLOCY-UHFFFAOYSA-N 2 2 394.441 3.863 20 0 GHADLP CC(C)Oc1ccc(Cl)cc1C[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001138959623 1025659312 /nfs/dbraw/zinc/65/93/12/1025659312.db2.gz TZVWSIHMZNJTQT-UHFFFAOYSA-N 2 2 399.926 3.627 20 0 GHADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001138959623 1025659322 /nfs/dbraw/zinc/65/93/22/1025659322.db2.gz TZVWSIHMZNJTQT-UHFFFAOYSA-N 2 2 399.926 3.627 20 0 GHADLP c1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)cc(C[NH+]2CCOCC2)c1 ZINC001139058450 1025846679 /nfs/dbraw/zinc/84/66/79/1025846679.db2.gz OURLZJXJALFYRX-SGNDLWITSA-N 2 2 384.564 3.546 20 0 GHADLP c1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)cc(C[NH+]2CCOCC2)c1 ZINC001139058450 1025846697 /nfs/dbraw/zinc/84/66/97/1025846697.db2.gz OURLZJXJALFYRX-SGNDLWITSA-N 2 2 384.564 3.546 20 0 GHADLP CCOC(=O)COc1ccccc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001139130466 1025943589 /nfs/dbraw/zinc/94/35/89/1025943589.db2.gz BUIMBFXWCDKZKM-UHFFFAOYSA-N 2 2 396.531 3.725 20 0 GHADLP CCOC(=O)COc1ccccc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001139130466 1025943593 /nfs/dbraw/zinc/94/35/93/1025943593.db2.gz BUIMBFXWCDKZKM-UHFFFAOYSA-N 2 2 396.531 3.725 20 0 GHADLP COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](c2ccccc2)C1 ZINC001139361592 1026236879 /nfs/dbraw/zinc/23/68/79/1026236879.db2.gz UWNQBQPNIOZMTO-IFMALSPDSA-N 2 2 375.472 3.999 20 0 GHADLP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](c2ccccc2)C1 ZINC001139361592 1026236890 /nfs/dbraw/zinc/23/68/90/1026236890.db2.gz UWNQBQPNIOZMTO-IFMALSPDSA-N 2 2 375.472 3.999 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139362787 1026237832 /nfs/dbraw/zinc/23/78/32/1026237832.db2.gz PXSIGNKUGBSLFJ-OPVJXMOQSA-N 2 2 382.508 3.607 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139362787 1026237845 /nfs/dbraw/zinc/23/78/45/1026237845.db2.gz PXSIGNKUGBSLFJ-OPVJXMOQSA-N 2 2 382.508 3.607 20 0 GHADLP Clc1ccnc(Cl)c1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001139479772 1026342680 /nfs/dbraw/zinc/34/26/80/1026342680.db2.gz SWTYXGNMIUPQTQ-UHFFFAOYSA-N 2 2 394.350 3.629 20 0 GHADLP Clc1ccnc(Cl)c1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001139479772 1026342692 /nfs/dbraw/zinc/34/26/92/1026342692.db2.gz SWTYXGNMIUPQTQ-UHFFFAOYSA-N 2 2 394.350 3.629 20 0 GHADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001139539109 1026400214 /nfs/dbraw/zinc/40/02/14/1026400214.db2.gz AHIXBQQSQGYUQH-QGZVFWFLSA-N 2 2 396.457 3.657 20 0 GHADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001139539109 1026400222 /nfs/dbraw/zinc/40/02/22/1026400222.db2.gz AHIXBQQSQGYUQH-QGZVFWFLSA-N 2 2 396.457 3.657 20 0 GHADLP Clc1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001139549672 1026414960 /nfs/dbraw/zinc/41/49/60/1026414960.db2.gz YBKSMKQTJSJSLT-UHFFFAOYSA-N 2 2 377.941 3.664 20 0 GHADLP Clc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001139549672 1026414970 /nfs/dbraw/zinc/41/49/70/1026414970.db2.gz YBKSMKQTJSJSLT-UHFFFAOYSA-N 2 2 377.941 3.664 20 0 GHADLP C[NH+]1CC2(C1)CC[NH+](Cc1c(Cl)ccnc1NC(=O)OC(C)(C)C)CC2 ZINC001139587456 1026451064 /nfs/dbraw/zinc/45/10/64/1026451064.db2.gz SZLKOSBAEWIGSV-UHFFFAOYSA-N 2 2 380.920 3.610 20 0 GHADLP C[NH+](C)C1(CNc2ncc(C(F)(F)F)cc2-c2cccnc2)CC[NH+](C)CC1 ZINC001164210611 1026453126 /nfs/dbraw/zinc/45/31/26/1026453126.db2.gz GCURHNJRNRGOAU-UHFFFAOYSA-N 2 2 393.457 3.600 20 0 GHADLP Fc1ccc([C@H]2CC[N@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)cc1 ZINC001139764704 1026603181 /nfs/dbraw/zinc/60/31/81/1026603181.db2.gz METWKOYHOIVIHH-NRFANRHFSA-N 2 2 384.495 3.526 20 0 GHADLP Fc1ccc([C@H]2CC[N@@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)cc1 ZINC001139764704 1026603186 /nfs/dbraw/zinc/60/31/86/1026603186.db2.gz METWKOYHOIVIHH-NRFANRHFSA-N 2 2 384.495 3.526 20 0 GHADLP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC001165158732 1026639281 /nfs/dbraw/zinc/63/92/81/1026639281.db2.gz GKTJAUTYIJVYFG-UHFFFAOYSA-N 2 2 393.869 3.695 20 0 GHADLP Cn1c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc2ccccc21 ZINC001139867336 1026682155 /nfs/dbraw/zinc/68/21/55/1026682155.db2.gz CVYJGIWZBKGCFI-UHFFFAOYSA-N 2 2 379.504 3.638 20 0 GHADLP Cn1c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc2ccccc21 ZINC001139867336 1026682157 /nfs/dbraw/zinc/68/21/57/1026682157.db2.gz CVYJGIWZBKGCFI-UHFFFAOYSA-N 2 2 379.504 3.638 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cncc4ccccc42)CC3)cn1 ZINC001139895325 1026711258 /nfs/dbraw/zinc/71/12/58/1026711258.db2.gz FUBHRMGONNNUSO-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cncc4ccccc42)CC3)cn1 ZINC001139895325 1026711266 /nfs/dbraw/zinc/71/12/66/1026711266.db2.gz FUBHRMGONNNUSO-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cc4ccccc4cn3)CC[C@@H]21 ZINC001139998021 1026787453 /nfs/dbraw/zinc/78/74/53/1026787453.db2.gz RPAHPLOWUSNJDQ-NHTMILBNSA-N 2 2 389.547 3.805 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cc4ccccc4cn3)CC[C@@H]21 ZINC001139998021 1026787463 /nfs/dbraw/zinc/78/74/63/1026787463.db2.gz RPAHPLOWUSNJDQ-NHTMILBNSA-N 2 2 389.547 3.805 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3cc4ccccc4cn3)CC[C@@H]21 ZINC001139998021 1026787470 /nfs/dbraw/zinc/78/74/70/1026787470.db2.gz RPAHPLOWUSNJDQ-NHTMILBNSA-N 2 2 389.547 3.805 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3cc4ccccc4cn3)CC[C@@H]21 ZINC001139998021 1026787478 /nfs/dbraw/zinc/78/74/78/1026787478.db2.gz RPAHPLOWUSNJDQ-NHTMILBNSA-N 2 2 389.547 3.805 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](Cc1ccccc1-c1cncnc1)CC2 ZINC001140017350 1026800159 /nfs/dbraw/zinc/80/01/59/1026800159.db2.gz AMGIIDXHPBNYHC-UHFFFAOYSA-N 2 2 390.535 3.541 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](Cc1ccccc1-c1cncnc1)CC2 ZINC001140017350 1026800173 /nfs/dbraw/zinc/80/01/73/1026800173.db2.gz AMGIIDXHPBNYHC-UHFFFAOYSA-N 2 2 390.535 3.541 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CN2C(=O)OC(C)(C)C)C1 ZINC001140021740 1026807395 /nfs/dbraw/zinc/80/73/95/1026807395.db2.gz PVCGOUAATGXZFX-UYAOXDASSA-N 2 2 382.508 3.622 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CN2C(=O)OC(C)(C)C)C1 ZINC001140021740 1026807402 /nfs/dbraw/zinc/80/74/02/1026807402.db2.gz PVCGOUAATGXZFX-UYAOXDASSA-N 2 2 382.508 3.622 20 0 GHADLP COc1nsc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1Cl ZINC001461172981 1069425594 /nfs/dbraw/zinc/42/55/94/1069425594.db2.gz UYKHXNQDLFAENE-GFCCVEGCSA-N 2 2 398.935 3.547 20 0 GHADLP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001209718356 1027115131 /nfs/dbraw/zinc/11/51/31/1027115131.db2.gz MVBIVEWSSMKDKJ-OAQYLSRUSA-N 2 2 393.535 3.858 20 0 GHADLP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001209718356 1027115135 /nfs/dbraw/zinc/11/51/35/1027115135.db2.gz MVBIVEWSSMKDKJ-OAQYLSRUSA-N 2 2 393.535 3.858 20 0 GHADLP CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC001166996628 1027186817 /nfs/dbraw/zinc/18/68/17/1027186817.db2.gz HHYQKSYDHJYPSH-UHFFFAOYSA-N 2 2 391.522 3.621 20 0 GHADLP Cc1c(Br)cc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1Br ZINC001203160932 1027217522 /nfs/dbraw/zinc/21/75/22/1027217522.db2.gz HZHQMQQAHKVRPY-GFCCVEGCSA-N 2 2 376.136 3.704 20 0 GHADLP Cc1c(Br)cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1Br ZINC001203160932 1027217541 /nfs/dbraw/zinc/21/75/41/1027217541.db2.gz HZHQMQQAHKVRPY-GFCCVEGCSA-N 2 2 376.136 3.704 20 0 GHADLP COc1cccc(C2([NH2+]Cc3ccc(OCC[NH+]4CCOCC4)cc3)CCC2)c1 ZINC001203222818 1027238588 /nfs/dbraw/zinc/23/85/88/1027238588.db2.gz PIYGRQIECNOLMC-UHFFFAOYSA-N 2 2 396.531 3.575 20 0 GHADLP CN(Cc1ccccc1)c1ccc(Nc2cc[nH+]c(N3CCOCC3)c2)c[nH+]1 ZINC001203515915 1027395274 /nfs/dbraw/zinc/39/52/74/1027395274.db2.gz UCEWULVLPCELPU-UHFFFAOYSA-N 2 2 375.476 3.693 20 0 GHADLP c1ccc2c(c1)CCS[C@H]2C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001461258531 1069466161 /nfs/dbraw/zinc/46/61/61/1069466161.db2.gz XRCXAIJIPJLTAJ-QHCPKHFHSA-N 2 2 398.572 3.518 20 0 GHADLP Clc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)cc1 ZINC001203920058 1027709473 /nfs/dbraw/zinc/70/94/73/1027709473.db2.gz BSXRVLIZQGGRJV-HJNYFJLDSA-N 2 2 384.955 3.912 20 0 GHADLP Clc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)cc1 ZINC001203920058 1027709485 /nfs/dbraw/zinc/70/94/85/1027709485.db2.gz BSXRVLIZQGGRJV-HJNYFJLDSA-N 2 2 384.955 3.912 20 0 GHADLP Clc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001203920058 1027709495 /nfs/dbraw/zinc/70/94/95/1027709495.db2.gz BSXRVLIZQGGRJV-HJNYFJLDSA-N 2 2 384.955 3.912 20 0 GHADLP Clc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)cc1 ZINC001203920058 1027709507 /nfs/dbraw/zinc/70/95/07/1027709507.db2.gz BSXRVLIZQGGRJV-HJNYFJLDSA-N 2 2 384.955 3.912 20 0 GHADLP CC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001461286092 1069481431 /nfs/dbraw/zinc/48/14/31/1069481431.db2.gz NEQXXXIVBKCCPJ-FCHUYYIVSA-N 2 2 396.560 3.703 20 0 GHADLP Brc1csc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001204023705 1027814885 /nfs/dbraw/zinc/81/48/85/1027814885.db2.gz BFIRCJOLBKVPML-CVEARBPZSA-N 2 2 392.366 3.860 20 0 GHADLP Brc1csc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001204023705 1027814905 /nfs/dbraw/zinc/81/49/05/1027814905.db2.gz BFIRCJOLBKVPML-CVEARBPZSA-N 2 2 392.366 3.860 20 0 GHADLP Brc1csc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001204023705 1027814921 /nfs/dbraw/zinc/81/49/21/1027814921.db2.gz BFIRCJOLBKVPML-CVEARBPZSA-N 2 2 392.366 3.860 20 0 GHADLP Brc1csc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001204023705 1027814939 /nfs/dbraw/zinc/81/49/39/1027814939.db2.gz BFIRCJOLBKVPML-CVEARBPZSA-N 2 2 392.366 3.860 20 0 GHADLP C[C@@H]([NH3+])c1ncc(-c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)s1 ZINC001213207747 1028045864 /nfs/dbraw/zinc/04/58/64/1028045864.db2.gz KYSQWNJZOQDKMN-MEBBXXQBSA-N 2 2 396.451 3.751 20 0 GHADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC001142239611 1028448396 /nfs/dbraw/zinc/44/83/96/1028448396.db2.gz IVNGXESKJPCIAT-RXVVDRJESA-N 2 2 389.559 3.807 20 0 GHADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC001142239611 1028448407 /nfs/dbraw/zinc/44/84/07/1028448407.db2.gz IVNGXESKJPCIAT-RXVVDRJESA-N 2 2 389.559 3.807 20 0 GHADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC001142239611 1028448412 /nfs/dbraw/zinc/44/84/12/1028448412.db2.gz IVNGXESKJPCIAT-RXVVDRJESA-N 2 2 389.559 3.807 20 0 GHADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC001142239611 1028448420 /nfs/dbraw/zinc/44/84/20/1028448420.db2.gz IVNGXESKJPCIAT-RXVVDRJESA-N 2 2 389.559 3.807 20 0 GHADLP C[N@@H+]1CC[C@@H](CNC(=O)CC2=C(c3ccccc3)[NH2+]C(c3ccccc3)S2)C1 ZINC001142485839 1028984469 /nfs/dbraw/zinc/98/44/69/1028984469.db2.gz GLGSCBYMAQHTMN-KRWDZBQOSA-N 2 2 392.548 3.687 20 0 GHADLP C[N@H+]1CC[C@@H](CNC(=O)CC2=C(c3ccccc3)[NH2+]C(c3ccccc3)S2)C1 ZINC001142485839 1028984473 /nfs/dbraw/zinc/98/44/73/1028984473.db2.gz GLGSCBYMAQHTMN-KRWDZBQOSA-N 2 2 392.548 3.687 20 0 GHADLP OC1CCN(c2ccc(Nc3ccc(C[NH+]4CCCCC4)c(F)c3)c[nH+]2)CC1 ZINC001215709704 1029359356 /nfs/dbraw/zinc/35/93/56/1029359356.db2.gz CMODUPCEHFEDOL-UHFFFAOYSA-N 2 2 384.499 3.911 20 0 GHADLP C[NH2+]Cc1cccc(Nc2cc(I)c3[nH+]ccn3c2)c1F ZINC001216221979 1029574269 /nfs/dbraw/zinc/57/42/69/1029574269.db2.gz PSHLZSYITMEHLF-UHFFFAOYSA-N 2 2 396.207 3.541 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)C1 ZINC001142852694 1029584931 /nfs/dbraw/zinc/58/49/31/1029584931.db2.gz JAWMPXWUKYYJNI-NRFANRHFSA-N 2 2 393.531 3.598 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)C1 ZINC001142852694 1029584938 /nfs/dbraw/zinc/58/49/38/1029584938.db2.gz JAWMPXWUKYYJNI-NRFANRHFSA-N 2 2 393.531 3.598 20 0 GHADLP Cn1nc(-c2ccccc2)cc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001143005980 1029774605 /nfs/dbraw/zinc/77/46/05/1029774605.db2.gz HEWQZJGBFPLZHY-OALUTQOASA-N 2 2 378.545 3.712 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398009 1029968442 /nfs/dbraw/zinc/96/84/42/1029968442.db2.gz RIJAJHRXSNUWLV-YLJYHZDGSA-N 2 2 384.524 3.667 20 0 GHADLP c1ccc(COc2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc3c2OCO3)cc1 ZINC001222153873 1029980329 /nfs/dbraw/zinc/98/03/29/1029980329.db2.gz BWZQDCHPCNOJPW-HSZRJFAPSA-N 2 2 380.488 3.570 20 0 GHADLP c1ccc(COc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc3c2OCO3)cc1 ZINC001222153873 1029980330 /nfs/dbraw/zinc/98/03/30/1029980330.db2.gz BWZQDCHPCNOJPW-HSZRJFAPSA-N 2 2 380.488 3.570 20 0 GHADLP Cc1cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc(C)c1-c1ccc(F)cc1F ZINC001222510878 1030174889 /nfs/dbraw/zinc/17/48/89/1030174889.db2.gz IHQNPTUIEWAZKK-VXKWHMMOSA-N 2 2 385.502 3.774 20 0 GHADLP C[C@@H](CCNC(=O)N1CCC(Nc2cccc[nH+]2)CC1)[N@H+](C)Cc1ccccc1 ZINC001223088025 1030432707 /nfs/dbraw/zinc/43/27/07/1030432707.db2.gz INOHDTOHPVFHAR-IBGZPJMESA-N 2 2 395.551 3.578 20 0 GHADLP C[C@@H](CCNC(=O)N1CCC(Nc2cccc[nH+]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC001223088025 1030432716 /nfs/dbraw/zinc/43/27/16/1030432716.db2.gz INOHDTOHPVFHAR-IBGZPJMESA-N 2 2 395.551 3.578 20 0 GHADLP [NH3+]Cc1ccc2c(n1)N(C(=O)c1cccc3c1C[N@H+](Cc1ccccc1)C3)CCC2 ZINC001151816604 1031012156 /nfs/dbraw/zinc/01/21/56/1031012156.db2.gz VHPLPACYTKAUNV-UHFFFAOYSA-N 2 2 398.510 3.649 20 0 GHADLP [NH3+]Cc1ccc2c(n1)N(C(=O)c1cccc3c1C[N@@H+](Cc1ccccc1)C3)CCC2 ZINC001151816604 1031012173 /nfs/dbraw/zinc/01/21/73/1031012173.db2.gz VHPLPACYTKAUNV-UHFFFAOYSA-N 2 2 398.510 3.649 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC001218694510 1031036894 /nfs/dbraw/zinc/03/68/94/1031036894.db2.gz SZROPEDKJWLURW-OAQYLSRUSA-N 2 2 384.483 3.900 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H](C(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1)c1ccccc1 ZINC001218712644 1031044835 /nfs/dbraw/zinc/04/48/35/1031044835.db2.gz OMCCCDMWFMAJEG-SIKLNZKXSA-N 2 2 390.487 3.911 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H](C(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1)c1ccccc1 ZINC001218712644 1031044854 /nfs/dbraw/zinc/04/48/54/1031044854.db2.gz OMCCCDMWFMAJEG-SIKLNZKXSA-N 2 2 390.487 3.911 20 0 GHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC3CCC(C)([NH+](C)C)CC3)c2C1 ZINC001152150938 1031122262 /nfs/dbraw/zinc/12/22/62/1031122262.db2.gz HWRZOBXTEDBUNL-UHFFFAOYSA-N 2 2 394.563 3.606 20 0 GHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC3CCC(C)([NH+](C)C)CC3)c2C1 ZINC001152150938 1031122280 /nfs/dbraw/zinc/12/22/80/1031122280.db2.gz HWRZOBXTEDBUNL-UHFFFAOYSA-N 2 2 394.563 3.606 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2cc(F)cc3c2-c2ccc(F)cc2C3)cc1 ZINC001219550337 1031495777 /nfs/dbraw/zinc/49/57/77/1031495777.db2.gz XBZUWBQPMXVJHQ-IBGZPJMESA-N 2 2 379.410 3.747 20 0 GHADLP CN(C(=O)c1coc2cc(O)ccc12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001153503189 1031619420 /nfs/dbraw/zinc/61/94/20/1031619420.db2.gz BQNYPQBCBFZEOC-SFTDATJTSA-N 2 2 399.535 3.548 20 0 GHADLP CN(C(=O)c1coc2cc(O)ccc12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001153503189 1031619436 /nfs/dbraw/zinc/61/94/36/1031619436.db2.gz BQNYPQBCBFZEOC-SFTDATJTSA-N 2 2 399.535 3.548 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)c1cc2c(s1)C[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC001220533767 1031981141 /nfs/dbraw/zinc/98/11/41/1031981141.db2.gz SCHAIIKKIREEJS-OAHLLOKOSA-N 2 2 398.359 3.733 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2cc(Br)cc(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205303399 1033349822 /nfs/dbraw/zinc/34/98/22/1033349822.db2.gz DQOHKCODOIRFSV-ZYHUDNBSSA-N 2 2 381.236 3.764 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205303399 1033349837 /nfs/dbraw/zinc/34/98/37/1033349837.db2.gz DQOHKCODOIRFSV-ZYHUDNBSSA-N 2 2 381.236 3.764 20 0 GHADLP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC1 ZINC001206327298 1033798311 /nfs/dbraw/zinc/79/83/11/1033798311.db2.gz VBTCTWYXNCTDHE-SFHVURJKSA-N 3 2 377.330 3.586 20 0 GHADLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC1 ZINC001206327298 1033798330 /nfs/dbraw/zinc/79/83/30/1033798330.db2.gz VBTCTWYXNCTDHE-SFHVURJKSA-N 3 2 377.330 3.586 20 0 GHADLP COc1cc(Br)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC001206581067 1033913973 /nfs/dbraw/zinc/91/39/73/1033913973.db2.gz HXBGUEAOGCLAES-OAHLLOKOSA-N 2 2 385.346 3.819 20 0 GHADLP COc1cc(Br)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC001206581067 1033913975 /nfs/dbraw/zinc/91/39/75/1033913975.db2.gz HXBGUEAOGCLAES-OAHLLOKOSA-N 2 2 385.346 3.819 20 0 GHADLP COc1ccc([C@@H]2CSCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001206716479 1033955691 /nfs/dbraw/zinc/95/56/91/1033955691.db2.gz BFDZYQAFNCPTAP-QHCPKHFHSA-N 2 2 398.572 3.818 20 0 GHADLP COc1ccc([C@@H]2CSCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001206716479 1033955700 /nfs/dbraw/zinc/95/57/00/1033955700.db2.gz BFDZYQAFNCPTAP-QHCPKHFHSA-N 2 2 398.572 3.818 20 0 GHADLP CCC[N@@H+]1CCO[C@@H]2c3cc(OC4CC[NH+](C(C)(C)C)CC4)ccc3OC[C@H]21 ZINC001230426940 1034047713 /nfs/dbraw/zinc/04/77/13/1034047713.db2.gz JHKAFNRBIJECFY-IFMALSPDSA-N 2 2 388.552 3.873 20 0 GHADLP CCC[N@H+]1CCO[C@@H]2c3cc(OC4CC[NH+](C(C)(C)C)CC4)ccc3OC[C@H]21 ZINC001230426940 1034047720 /nfs/dbraw/zinc/04/77/20/1034047720.db2.gz JHKAFNRBIJECFY-IFMALSPDSA-N 2 2 388.552 3.873 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC001207101176 1034091398 /nfs/dbraw/zinc/09/13/98/1034091398.db2.gz GIZFHLFSPZHGIK-QGZVFWFLSA-N 2 2 385.512 3.537 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC001207101176 1034091404 /nfs/dbraw/zinc/09/14/04/1034091404.db2.gz GIZFHLFSPZHGIK-QGZVFWFLSA-N 2 2 385.512 3.537 20 0 GHADLP C[NH+]1CCN(c2cccc(N[C@H]3CCc4c3cccc4OC(F)(F)F)[nH+]2)CC1 ZINC001158465545 1034093253 /nfs/dbraw/zinc/09/32/53/1034093253.db2.gz LZVCWRLOQKUDCD-INIZCTEOSA-N 2 2 392.425 3.831 20 0 GHADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001207187048 1034158255 /nfs/dbraw/zinc/15/82/55/1034158255.db2.gz ODSIPKADQSGTMF-PKOBYXMFSA-N 2 2 387.959 3.781 20 0 GHADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001207187048 1034158257 /nfs/dbraw/zinc/15/82/57/1034158257.db2.gz ODSIPKADQSGTMF-PKOBYXMFSA-N 2 2 387.959 3.781 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001207187048 1034158260 /nfs/dbraw/zinc/15/82/60/1034158260.db2.gz ODSIPKADQSGTMF-PKOBYXMFSA-N 2 2 387.959 3.781 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001207187048 1034158263 /nfs/dbraw/zinc/15/82/63/1034158263.db2.gz ODSIPKADQSGTMF-PKOBYXMFSA-N 2 2 387.959 3.781 20 0 GHADLP Nc1[nH+]cnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1=CC[NH2+]CC1 ZINC001159255053 1034505853 /nfs/dbraw/zinc/50/58/53/1034505853.db2.gz VZELAWBRUALKPR-UHFFFAOYSA-N 2 2 384.443 3.702 20 0 GHADLP [NH3+]C1CCN(c2[nH+]cccc2Nc2cccc(C[NH+]3CCCCC3)c2F)CC1 ZINC001159261805 1034509548 /nfs/dbraw/zinc/50/95/48/1034509548.db2.gz OVZUIXGHVVURLT-UHFFFAOYSA-N 3 2 383.515 3.878 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](CC3(c4ccccc4)CC3)CC2)C1 ZINC001207841135 1034616249 /nfs/dbraw/zinc/61/62/49/1034616249.db2.gz QPOIUFCZWKRBQU-FQEVSTJZSA-N 2 2 399.579 3.782 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CC[NH+](CC3(c4ccccc4)CC3)CC2)C1 ZINC001207841135 1034616256 /nfs/dbraw/zinc/61/62/56/1034616256.db2.gz QPOIUFCZWKRBQU-FQEVSTJZSA-N 2 2 399.579 3.782 20 0 GHADLP Cc1ccccc1-c1ccccc1C[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001231807871 1034921726 /nfs/dbraw/zinc/92/17/26/1034921726.db2.gz ROACBRLVGVSBJI-UHFFFAOYSA-N 2 2 398.514 3.904 20 0 GHADLP Cc1ccccc1-c1ccccc1C[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001231807871 1034921729 /nfs/dbraw/zinc/92/17/29/1034921729.db2.gz ROACBRLVGVSBJI-UHFFFAOYSA-N 2 2 398.514 3.904 20 0 GHADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208621625 1034956372 /nfs/dbraw/zinc/95/63/72/1034956372.db2.gz VWYCYVVHHOUVSO-UHFFFAOYSA-N 2 2 387.568 3.840 20 0 GHADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208621625 1034956376 /nfs/dbraw/zinc/95/63/76/1034956376.db2.gz VWYCYVVHHOUVSO-UHFFFAOYSA-N 2 2 387.568 3.840 20 0 GHADLP C[N@H+](Cc1cc(Br)ccc1OC(F)(F)F)C1CC[NH+](C)CC1 ZINC001231925289 1034993795 /nfs/dbraw/zinc/99/37/95/1034993795.db2.gz XKJJPLGKPNSWJE-UHFFFAOYSA-N 2 2 381.236 3.874 20 0 GHADLP C[N@@H+](Cc1cc(Br)ccc1OC(F)(F)F)C1CC[NH+](C)CC1 ZINC001231925289 1034993800 /nfs/dbraw/zinc/99/38/00/1034993800.db2.gz XKJJPLGKPNSWJE-UHFFFAOYSA-N 2 2 381.236 3.874 20 0 GHADLP Fc1cccc(C[NH+]2CCN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208934732 1035100907 /nfs/dbraw/zinc/10/09/07/1035100907.db2.gz GBOWXDDELYAWKZ-QHCPKHFHSA-N 2 2 381.539 3.856 20 0 GHADLP Fc1cccc(C[NH+]2CCN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208934732 1035100912 /nfs/dbraw/zinc/10/09/12/1035100912.db2.gz GBOWXDDELYAWKZ-QHCPKHFHSA-N 2 2 381.539 3.856 20 0 GHADLP CCOc1cccc(N2CC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208940483 1035110180 /nfs/dbraw/zinc/11/01/80/1035110180.db2.gz SGEXNDLOQYCNPD-JOCHJYFZSA-N 2 2 394.563 3.515 20 0 GHADLP CCOc1cccc(N2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208940483 1035110182 /nfs/dbraw/zinc/11/01/82/1035110182.db2.gz SGEXNDLOQYCNPD-JOCHJYFZSA-N 2 2 394.563 3.515 20 0 GHADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948970 1035119240 /nfs/dbraw/zinc/11/92/40/1035119240.db2.gz URUSQEJNDHYDFJ-NFBKMPQASA-N 2 2 381.539 3.854 20 0 GHADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948970 1035119244 /nfs/dbraw/zinc/11/92/44/1035119244.db2.gz URUSQEJNDHYDFJ-NFBKMPQASA-N 2 2 381.539 3.854 20 0 GHADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208948970 1035119247 /nfs/dbraw/zinc/11/92/47/1035119247.db2.gz URUSQEJNDHYDFJ-NFBKMPQASA-N 2 2 381.539 3.854 20 0 GHADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948970 1035119250 /nfs/dbraw/zinc/11/92/50/1035119250.db2.gz URUSQEJNDHYDFJ-NFBKMPQASA-N 2 2 381.539 3.854 20 0 GHADLP FC1(F)CC[N@H+](CCOc2ccccc2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001209297734 1035234889 /nfs/dbraw/zinc/23/48/89/1035234889.db2.gz HQFZTNDDCRNKSC-NRFANRHFSA-N 2 2 387.474 3.694 20 0 GHADLP FC1(F)CC[N@@H+](CCOc2ccccc2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001209297734 1035234893 /nfs/dbraw/zinc/23/48/93/1035234893.db2.gz HQFZTNDDCRNKSC-NRFANRHFSA-N 2 2 387.474 3.694 20 0 GHADLP FC1(F)CC[NH+](CCOc2ccccc2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001209297734 1035234895 /nfs/dbraw/zinc/23/48/95/1035234895.db2.gz HQFZTNDDCRNKSC-NRFANRHFSA-N 2 2 387.474 3.694 20 0 GHADLP FC1(F)CC[NH+](CCOc2ccccc2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001209297734 1035234898 /nfs/dbraw/zinc/23/48/98/1035234898.db2.gz HQFZTNDDCRNKSC-NRFANRHFSA-N 2 2 387.474 3.694 20 0 GHADLP CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001209320789 1035241690 /nfs/dbraw/zinc/24/16/90/1035241690.db2.gz UKTRFZBQJSBEOY-NRFANRHFSA-N 2 2 385.552 3.519 20 0 GHADLP CC[NH+](CC)Cc1cc(C)ccc1-c1ccc(NCC[NH+]2CCN(C)CC2)nc1 ZINC001241568759 1035625983 /nfs/dbraw/zinc/62/59/83/1035625983.db2.gz RRVHTMLZHQLWCO-UHFFFAOYSA-N 2 2 395.595 3.558 20 0 GHADLP Cc1[nH+]cn(-c2ccc(-c3ccc(OCC[NH+]4CCCCC4)cc3)nn2)c1C ZINC001241759384 1035681030 /nfs/dbraw/zinc/68/10/30/1035681030.db2.gz YCJFCPSUHFGCOI-UHFFFAOYSA-N 2 2 377.492 3.811 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(OCC[NH+]4CCCCC4)cc3)cc2)C1 ZINC001241760364 1035682244 /nfs/dbraw/zinc/68/22/44/1035682244.db2.gz FLIAOYJUKJYCDT-HSZRJFAPSA-N 3 2 379.548 3.751 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(OCC[NH+]4CCCCC4)cc3)cc2)C1 ZINC001241760364 1035682257 /nfs/dbraw/zinc/68/22/57/1035682257.db2.gz FLIAOYJUKJYCDT-HSZRJFAPSA-N 3 2 379.548 3.751 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC001241761494 1035684992 /nfs/dbraw/zinc/68/49/92/1035684992.db2.gz PLSBPUODJAROFI-QFIPXVFZSA-N 3 2 379.548 3.751 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC001241761494 1035685050 /nfs/dbraw/zinc/68/50/50/1035685050.db2.gz PLSBPUODJAROFI-QFIPXVFZSA-N 3 2 379.548 3.751 20 0 GHADLP Fc1ccccc1C[C@H]1C[NH2+][C@H](c2nc(-c3ccccc3-n3cc[nH+]c3)no2)C1 ZINC001248584641 1035972287 /nfs/dbraw/zinc/97/22/87/1035972287.db2.gz QKSONZZEQWPQHP-BEFAXECRSA-N 2 2 389.434 3.955 20 0 GHADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccco1 ZINC001248638456 1036020631 /nfs/dbraw/zinc/02/06/31/1036020631.db2.gz KBSLBXAJKCNGNT-IHPCNDPISA-N 2 2 395.507 3.646 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(F)c(C(=O)N4CCCCC4)c3)cc2)C1 ZINC001243295650 1036101063 /nfs/dbraw/zinc/10/10/63/1036101063.db2.gz AZQYLNQYLQEXEB-FQEVSTJZSA-N 2 2 381.495 3.652 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)c(C(=O)N4CCCCC4)c3)cc2)C1 ZINC001243295650 1036101074 /nfs/dbraw/zinc/10/10/74/1036101074.db2.gz AZQYLNQYLQEXEB-FQEVSTJZSA-N 2 2 381.495 3.652 20 0 GHADLP C[NH+](C)CCOc1cccc(-c2ccc(-c3nc4c(o3)CC[N@H+](C)C4)cc2)c1 ZINC001243754850 1036270054 /nfs/dbraw/zinc/27/00/54/1036270054.db2.gz ZEWXSRUVHUIUHT-UHFFFAOYSA-N 2 2 377.488 3.937 20 0 GHADLP C[NH+](C)CCOc1cccc(-c2ccc(-c3nc4c(o3)CC[N@@H+](C)C4)cc2)c1 ZINC001243754850 1036270068 /nfs/dbraw/zinc/27/00/68/1036270068.db2.gz ZEWXSRUVHUIUHT-UHFFFAOYSA-N 2 2 377.488 3.937 20 0 GHADLP COc1ccc(-c2ccc(OCCC[NH+](C)C)cc2)cc1C[NH+]1CCOCC1 ZINC001245342041 1036888743 /nfs/dbraw/zinc/88/87/43/1036888743.db2.gz QAFDSGMBOAVJKF-UHFFFAOYSA-N 2 2 384.520 3.525 20 0 GHADLP O[C@H](C[NH2+]C1(c2ccc(F)cc2)CC[NH2+]CC1)COc1cccc2ccccc21 ZINC001246001410 1037121679 /nfs/dbraw/zinc/12/16/79/1037121679.db2.gz ROLPZGHUZJAJSY-OAQYLSRUSA-N 2 2 394.490 3.587 20 0 GHADLP O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246037812 1037152372 /nfs/dbraw/zinc/15/23/72/1037152372.db2.gz XNXULKAJPCQJKP-KOSHJBKYSA-N 2 2 393.531 3.669 20 0 GHADLP O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246037812 1037152395 /nfs/dbraw/zinc/15/23/95/1037152395.db2.gz XNXULKAJPCQJKP-KOSHJBKYSA-N 2 2 393.531 3.669 20 0 GHADLP [NH3+]CCCC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)C(=O)OCc1ccccc1 ZINC001246191210 1037230587 /nfs/dbraw/zinc/23/05/87/1037230587.db2.gz LUQYRDQOKHFHAI-XPWALMASSA-N 2 2 396.531 3.737 20 0 GHADLP O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C2(c3ccccc3Cl)CC[NH2+]CC2)C1 ZINC001246377067 1037333690 /nfs/dbraw/zinc/33/36/90/1037333690.db2.gz YQAIXVCRDMCCOW-LJQANCHMSA-N 2 2 397.950 3.813 20 0 GHADLP Clc1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC[NH2+]CC2)cc1 ZINC001246394290 1037353598 /nfs/dbraw/zinc/35/35/98/1037353598.db2.gz RMKOTTOZLYWCKI-FRIKZZABSA-N 3 2 387.999 4.000 20 0 GHADLP Clc1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC[NH2+]CC2)cc1 ZINC001246394290 1037353616 /nfs/dbraw/zinc/35/36/16/1037353616.db2.gz RMKOTTOZLYWCKI-FRIKZZABSA-N 3 2 387.999 4.000 20 0 GHADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001246528850 1037463979 /nfs/dbraw/zinc/46/39/79/1037463979.db2.gz ZIQMRARXJJLUSX-FZKQIMNGSA-N 2 2 380.410 3.713 20 0 GHADLP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)CC[NH2+]1 ZINC001246756992 1037599905 /nfs/dbraw/zinc/59/99/05/1037599905.db2.gz YCSXIFFXFIEXCH-MDKPJZGXSA-N 2 2 375.582 3.734 20 0 GHADLP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)CC[NH2+]1 ZINC001246756992 1037599911 /nfs/dbraw/zinc/59/99/11/1037599911.db2.gz YCSXIFFXFIEXCH-MDKPJZGXSA-N 2 2 375.582 3.734 20 0 GHADLP Clc1ccccc1C[NH+]1CCN([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246783511 1037624224 /nfs/dbraw/zinc/62/42/24/1037624224.db2.gz ONIVAZVBXLYCID-FGZHOGPDSA-N 2 2 383.967 3.821 20 0 GHADLP Clc1ccccc1CN1CC[NH+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246783511 1037624231 /nfs/dbraw/zinc/62/42/31/1037624231.db2.gz ONIVAZVBXLYCID-FGZHOGPDSA-N 2 2 383.967 3.821 20 0 GHADLP c1ccc(C[C@H]2C[C@@H]([NH+]3CCN(c4ccc5ccccc5n4)CC3)CC[NH2+]2)cc1 ZINC001246843542 1037670905 /nfs/dbraw/zinc/67/09/05/1037670905.db2.gz KDPPNMPQYJYXOP-GOTSBHOMSA-N 2 2 386.543 3.720 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001246880070 1037694833 /nfs/dbraw/zinc/69/48/33/1037694833.db2.gz PJYIWUQGUOJPNQ-PQVVKJAFSA-N 3 2 375.560 3.513 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246880070 1037694841 /nfs/dbraw/zinc/69/48/41/1037694841.db2.gz PJYIWUQGUOJPNQ-PQVVKJAFSA-N 3 2 375.560 3.513 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001246880070 1037694848 /nfs/dbraw/zinc/69/48/48/1037694848.db2.gz PJYIWUQGUOJPNQ-PQVVKJAFSA-N 3 2 375.560 3.513 20 0 GHADLP C[C@H]1C[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001246880070 1037694852 /nfs/dbraw/zinc/69/48/52/1037694852.db2.gz PJYIWUQGUOJPNQ-PQVVKJAFSA-N 3 2 375.560 3.513 20 0 GHADLP COc1cc(N2CC[NH+]([C@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)ccc1Cl ZINC001246891823 1037706148 /nfs/dbraw/zinc/70/61/48/1037706148.db2.gz YMBRKWRODKRHQS-FPOVZHCZSA-N 2 2 385.939 3.964 20 0 GHADLP COC(=O)c1cccc2c1CC[N@@H+]([C@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246946820 1037750035 /nfs/dbraw/zinc/75/00/35/1037750035.db2.gz HWEFTPMHDGKHOJ-PGRDOPGGSA-N 2 2 382.479 3.772 20 0 GHADLP COC(=O)c1cccc2c1CC[N@H+]([C@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246946820 1037750053 /nfs/dbraw/zinc/75/00/53/1037750053.db2.gz HWEFTPMHDGKHOJ-PGRDOPGGSA-N 2 2 382.479 3.772 20 0 GHADLP O=C(OC1CCC([N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC001246964179 1037785597 /nfs/dbraw/zinc/78/55/97/1037785597.db2.gz QOQYCHFNRPOFJB-KOENEWCDSA-N 2 2 393.531 3.804 20 0 GHADLP O=C(OC1CCC([N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC001246964179 1037785619 /nfs/dbraw/zinc/78/56/19/1037785619.db2.gz QOQYCHFNRPOFJB-KOENEWCDSA-N 2 2 393.531 3.804 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H](N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)CC[NH2+]1 ZINC001246984224 1037809714 /nfs/dbraw/zinc/80/97/14/1037809714.db2.gz DRXSUAIVCVUABT-YZGWKJHDSA-N 2 2 381.486 3.733 20 0 GHADLP Fc1ccc(-c2noc([C@@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)c2ccccc12 ZINC001247130954 1037938361 /nfs/dbraw/zinc/93/83/61/1037938361.db2.gz CWRQZUWLTDPPRB-KRWDZBQOSA-N 2 2 389.434 3.644 20 0 GHADLP c1cc2ccc(C[N@H+]3CCc4nnc(C[NH+]5CCCCC5)n4CC3)cc2s1 ZINC001232612746 1038400114 /nfs/dbraw/zinc/40/01/14/1038400114.db2.gz NMOISVUFYKTYTH-UHFFFAOYSA-N 2 2 381.549 3.537 20 0 GHADLP c1cc2ccc(C[N@@H+]3CCc4nnc(C[NH+]5CCCCC5)n4CC3)cc2s1 ZINC001232612746 1038400120 /nfs/dbraw/zinc/40/01/20/1038400120.db2.gz NMOISVUFYKTYTH-UHFFFAOYSA-N 2 2 381.549 3.537 20 0 GHADLP Cc1nc([C@@H]2CC[N@H+](C[C@]3(C(C)(C)C)CC[NH+](Cc4ccccc4)C3)C2)n[nH]1 ZINC001462317849 1070165803 /nfs/dbraw/zinc/16/58/03/1070165803.db2.gz YKQYOWNREAAWOH-NFBKMPQASA-N 2 2 381.568 3.841 20 0 GHADLP Cc1nc([C@@H]2CC[N@@H+](C[C@]3(C(C)(C)C)CC[NH+](Cc4ccccc4)C3)C2)n[nH]1 ZINC001462317849 1070165812 /nfs/dbraw/zinc/16/58/12/1070165812.db2.gz YKQYOWNREAAWOH-NFBKMPQASA-N 2 2 381.568 3.841 20 0 GHADLP Cc1nc([C@@H]2CC[NH+](C[C@]3(C(C)(C)C)CC[N@H+](Cc4ccccc4)C3)C2)n[nH]1 ZINC001462317849 1070165819 /nfs/dbraw/zinc/16/58/19/1070165819.db2.gz YKQYOWNREAAWOH-NFBKMPQASA-N 2 2 381.568 3.841 20 0 GHADLP Cc1nc([C@@H]2CC[NH+](C[C@]3(C(C)(C)C)CC[N@@H+](Cc4ccccc4)C3)C2)n[nH]1 ZINC001462317849 1070165826 /nfs/dbraw/zinc/16/58/26/1070165826.db2.gz YKQYOWNREAAWOH-NFBKMPQASA-N 2 2 381.568 3.841 20 0 GHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@H](O)c1cccc(Br)c1 ZINC001462339085 1070183473 /nfs/dbraw/zinc/18/34/73/1070183473.db2.gz KPAOCKCTWVGABA-KRWDZBQOSA-N 2 2 392.322 3.862 20 0 GHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@H](O)c1cccc(Br)c1 ZINC001462339085 1070183478 /nfs/dbraw/zinc/18/34/78/1070183478.db2.gz KPAOCKCTWVGABA-KRWDZBQOSA-N 2 2 392.322 3.862 20 0 GHADLP O[C@H](C[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1)c1ccc(F)cc1 ZINC001252846636 1039204977 /nfs/dbraw/zinc/20/49/77/1039204977.db2.gz RCFZERZVJDHGRV-OAQYLSRUSA-N 2 2 377.419 3.866 20 0 GHADLP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)c2)CC1 ZINC001253103391 1039425329 /nfs/dbraw/zinc/42/53/29/1039425329.db2.gz JHZNODKPTYAXQG-HSZRJFAPSA-N 2 2 391.559 3.970 20 0 GHADLP CCC(CC)N(C[C@H](O)C[NH+](CC)CC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001253188484 1039466854 /nfs/dbraw/zinc/46/68/54/1039466854.db2.gz ZNHRMEBVUULECX-XMMPIXPASA-N 2 2 389.628 3.844 20 0 GHADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC001253377514 1039588281 /nfs/dbraw/zinc/58/82/81/1039588281.db2.gz SDWBVTYCKSOVLT-NRFANRHFSA-N 2 2 378.438 3.700 20 0 GHADLP COc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(OC)c3)C2)c1 ZINC001234058312 1039792626 /nfs/dbraw/zinc/79/26/26/1039792626.db2.gz KEIOOPXQXPQUDW-NRFANRHFSA-N 2 2 393.487 3.933 20 0 GHADLP COc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(OC)c3)C2)c1 ZINC001234058312 1039792645 /nfs/dbraw/zinc/79/26/45/1039792645.db2.gz KEIOOPXQXPQUDW-NRFANRHFSA-N 2 2 393.487 3.933 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)ccc1-n1cc[nH+]c1 ZINC001234085106 1039823446 /nfs/dbraw/zinc/82/34/46/1039823446.db2.gz MHZPWEGWFHDNEY-LJQANCHMSA-N 2 2 378.476 3.628 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)ccc1-n1cc[nH+]c1 ZINC001234085106 1039823471 /nfs/dbraw/zinc/82/34/71/1039823471.db2.gz MHZPWEGWFHDNEY-LJQANCHMSA-N 2 2 378.476 3.628 20 0 GHADLP COc1cc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)[nH+]cc1C(F)(F)F ZINC001254033941 1039967563 /nfs/dbraw/zinc/96/75/63/1039967563.db2.gz BERUDPABMCOBPI-UHFFFAOYSA-N 2 2 395.425 3.548 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C3CCC(F)(F)CC3)CC2)C1 ZINC001254232821 1040084189 /nfs/dbraw/zinc/08/41/89/1040084189.db2.gz YZVCSMFJBLWSIS-OAHLLOKOSA-N 2 2 387.515 3.628 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C3CCC(F)(F)CC3)CC2)C1 ZINC001254232821 1040084209 /nfs/dbraw/zinc/08/42/09/1040084209.db2.gz YZVCSMFJBLWSIS-OAHLLOKOSA-N 2 2 387.515 3.628 20 0 GHADLP CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cc(C)ccc1C ZINC001234558357 1040127057 /nfs/dbraw/zinc/12/70/57/1040127057.db2.gz JTJCXTVGGDUWOO-IFMALSPDSA-N 2 2 386.584 3.564 20 0 GHADLP CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cc(C)ccc1C ZINC001234558357 1040127065 /nfs/dbraw/zinc/12/70/65/1040127065.db2.gz JTJCXTVGGDUWOO-IFMALSPDSA-N 2 2 386.584 3.564 20 0 GHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001254739706 1040497608 /nfs/dbraw/zinc/49/76/08/1040497608.db2.gz FYOSWFYPXGPEIH-MOPGFXCFSA-N 2 2 379.589 3.876 20 0 GHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001254739706 1040497613 /nfs/dbraw/zinc/49/76/13/1040497613.db2.gz FYOSWFYPXGPEIH-MOPGFXCFSA-N 2 2 379.589 3.876 20 0 GHADLP Brc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)ccc1-n1cc[nH+]c1 ZINC001235016969 1040505564 /nfs/dbraw/zinc/50/55/64/1040505564.db2.gz DQNUHXUYXMLACQ-YJBOKZPZSA-N 2 2 376.298 3.636 20 0 GHADLP Brc1cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)ccc1-n1cc[nH+]c1 ZINC001235016969 1040505584 /nfs/dbraw/zinc/50/55/84/1040505584.db2.gz DQNUHXUYXMLACQ-YJBOKZPZSA-N 2 2 376.298 3.636 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC001235019120 1040509015 /nfs/dbraw/zinc/50/90/15/1040509015.db2.gz LWDLCJVBDCZQSV-UHFFFAOYSA-N 2 2 388.515 3.722 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC001235019120 1040509030 /nfs/dbraw/zinc/50/90/30/1040509030.db2.gz LWDLCJVBDCZQSV-UHFFFAOYSA-N 2 2 388.515 3.722 20 0 GHADLP Cc1[nH+]c2c(n1[C@H]1CCC3(C1)CCN(C(=O)OC(C)(C)C)CC3)CC[NH2+]CC2 ZINC001254752395 1040512428 /nfs/dbraw/zinc/51/24/28/1040512428.db2.gz UPSQEMKRCKVDCC-KRWDZBQOSA-N 2 2 388.556 3.622 20 0 GHADLP Brc1cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)ccc1-n1cc[nH+]c1 ZINC001235025672 1040517936 /nfs/dbraw/zinc/51/79/36/1040517936.db2.gz DEFQPEWZHKFGDX-GOSISDBHSA-N 2 2 376.298 3.637 20 0 GHADLP Brc1cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)ccc1-n1cc[nH+]c1 ZINC001235025672 1040517957 /nfs/dbraw/zinc/51/79/57/1040517957.db2.gz DEFQPEWZHKFGDX-GOSISDBHSA-N 2 2 376.298 3.637 20 0 GHADLP COCCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC1 ZINC001235031275 1040522410 /nfs/dbraw/zinc/52/24/10/1040522410.db2.gz PZBULFJBMYTKSY-UHFFFAOYSA-N 2 2 378.314 3.883 20 0 GHADLP CC(C)[N@H+](Cc1ccc(-n2ccnc2)c(Br)c1)C1CC[NH+](C)CC1 ZINC001235038657 1040531330 /nfs/dbraw/zinc/53/13/30/1040531330.db2.gz KWYFKRJLFJPDPJ-UHFFFAOYSA-N 2 2 391.357 3.939 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(-n2ccnc2)c(Br)c1)C1CC[NH+](C)CC1 ZINC001235038657 1040531347 /nfs/dbraw/zinc/53/13/47/1040531347.db2.gz KWYFKRJLFJPDPJ-UHFFFAOYSA-N 2 2 391.357 3.939 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254789129 1040549454 /nfs/dbraw/zinc/54/94/54/1040549454.db2.gz OBAKHHZFJMQFMD-MSOLQXFVSA-N 2 2 387.524 3.633 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254789129 1040549472 /nfs/dbraw/zinc/54/94/72/1040549472.db2.gz OBAKHHZFJMQFMD-MSOLQXFVSA-N 2 2 387.524 3.633 20 0 GHADLP Brc1ccccc1CC1([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCOCC1 ZINC001254848436 1040592527 /nfs/dbraw/zinc/59/25/27/1040592527.db2.gz PWLHANPIUNGTSK-GOSISDBHSA-N 2 2 393.369 3.615 20 0 GHADLP Brc1ccc(-c2ccc(C[N@@H+]3CCC[C@]4(C[NH2+]CCO4)C3)o2)cc1 ZINC001235115934 1040606368 /nfs/dbraw/zinc/60/63/68/1040606368.db2.gz SZFPRFKMJDBICC-IBGZPJMESA-N 2 2 391.309 3.664 20 0 GHADLP Brc1ccc(-c2ccc(C[N@H+]3CCC[C@]4(C[NH2+]CCO4)C3)o2)cc1 ZINC001235115934 1040606373 /nfs/dbraw/zinc/60/63/73/1040606373.db2.gz SZFPRFKMJDBICC-IBGZPJMESA-N 2 2 391.309 3.664 20 0 GHADLP Cc1ccc(S(=O)(=O)c2ccccc2C[NH+]2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC001235136360 1040630509 /nfs/dbraw/zinc/63/05/09/1040630509.db2.gz XCPNCCYBQDEIAY-UHFFFAOYSA-N 2 2 398.572 3.793 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cn2)cc1 ZINC001235268969 1040746760 /nfs/dbraw/zinc/74/67/60/1040746760.db2.gz KECLELRVYMFOGB-QFBILLFUSA-N 2 2 377.410 3.831 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cn2)cc1 ZINC001235268969 1040746778 /nfs/dbraw/zinc/74/67/78/1040746778.db2.gz KECLELRVYMFOGB-QFBILLFUSA-N 2 2 377.410 3.831 20 0 GHADLP O=C1Nc2cc(Cl)ccc2C[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255128360 1040822367 /nfs/dbraw/zinc/82/23/67/1040822367.db2.gz BTUKUCLAHWXCNG-XWSHUIEDSA-N 2 2 395.934 3.988 20 0 GHADLP O=C1Nc2cc(Cl)ccc2C[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255128360 1040822389 /nfs/dbraw/zinc/82/23/89/1040822389.db2.gz BTUKUCLAHWXCNG-XWSHUIEDSA-N 2 2 395.934 3.988 20 0 GHADLP CN(C)c1ccnc(Cl)c1C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235377355 1040890519 /nfs/dbraw/zinc/89/05/19/1040890519.db2.gz APRVCLRKMPBKFZ-XMSQKQJNSA-N 2 2 384.955 3.554 20 0 GHADLP CN(C)c1ccnc(Cl)c1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235377355 1040890531 /nfs/dbraw/zinc/89/05/31/1040890531.db2.gz APRVCLRKMPBKFZ-XMSQKQJNSA-N 2 2 384.955 3.554 20 0 GHADLP Cc1ccc(Br)c(C[N@@H+]2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)c1Cl ZINC001235409060 1040920054 /nfs/dbraw/zinc/92/00/54/1040920054.db2.gz VTBNCSGPKGKEDR-DGCLKSJQSA-N 2 2 375.713 3.920 20 0 GHADLP Cc1ccc(Br)c(C[N@H+]2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)c1Cl ZINC001235409060 1040920055 /nfs/dbraw/zinc/92/00/55/1040920055.db2.gz VTBNCSGPKGKEDR-DGCLKSJQSA-N 2 2 375.713 3.920 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]Cc3cc(OCC4CCC4)ncn3)CC2)cc1 ZINC001255394062 1040981202 /nfs/dbraw/zinc/98/12/02/1040981202.db2.gz VTKHCSXMDRDQGP-NRFANRHFSA-N 2 2 380.536 3.800 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]Cc3cc(OCC4CCC4)ncn3)CC2)cc1 ZINC001255394062 1040981207 /nfs/dbraw/zinc/98/12/07/1040981207.db2.gz VTKHCSXMDRDQGP-NRFANRHFSA-N 2 2 380.536 3.800 20 0 GHADLP COc1ccccc1N1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255398919 1040985486 /nfs/dbraw/zinc/98/54/86/1040985486.db2.gz MTSUXIVOHCEMNP-JOCHJYFZSA-N 2 2 379.548 3.872 20 0 GHADLP COc1ccccc1N1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255398919 1040985488 /nfs/dbraw/zinc/98/54/88/1040985488.db2.gz MTSUXIVOHCEMNP-JOCHJYFZSA-N 2 2 379.548 3.872 20 0 GHADLP COc1ccc([C@H]([NH3+])[C@@H]([NH2+]C2CCC(OC)CC2)c2ccc(OC)cc2)cc1 ZINC001255450934 1041055558 /nfs/dbraw/zinc/05/55/58/1041055558.db2.gz BKDLIRMLAQNEMV-GZAPNMDCSA-N 2 2 384.520 3.992 20 0 GHADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1nc3ccc(F)cc3[nH]1)CC2 ZINC001235689475 1041160447 /nfs/dbraw/zinc/16/04/47/1041160447.db2.gz UBHLEWLIRSXUSA-UHFFFAOYSA-N 2 2 393.510 3.974 20 0 GHADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1nc3ccc(F)cc3[nH]1)CC2 ZINC001235689475 1041160450 /nfs/dbraw/zinc/16/04/50/1041160450.db2.gz UBHLEWLIRSXUSA-UHFFFAOYSA-N 2 2 393.510 3.974 20 0 GHADLP C[C@@H](CC(F)(F)F)[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001255653415 1041193508 /nfs/dbraw/zinc/19/35/08/1041193508.db2.gz ONBRMPFNLMZVNJ-HOCLYGCPSA-N 2 2 377.401 3.956 20 0 GHADLP C[C@@H](CC(F)(F)F)[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001255653415 1041193512 /nfs/dbraw/zinc/19/35/12/1041193512.db2.gz ONBRMPFNLMZVNJ-HOCLYGCPSA-N 2 2 377.401 3.956 20 0 GHADLP C[C@@H](CC(F)(F)F)[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001255653415 1041193516 /nfs/dbraw/zinc/19/35/16/1041193516.db2.gz ONBRMPFNLMZVNJ-HOCLYGCPSA-N 2 2 377.401 3.956 20 0 GHADLP C[C@@H](CC(F)(F)F)[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001255653415 1041193522 /nfs/dbraw/zinc/19/35/22/1041193522.db2.gz ONBRMPFNLMZVNJ-HOCLYGCPSA-N 2 2 377.401 3.956 20 0 GHADLP Brc1ccc(-c2ncc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)s2)cc1 ZINC001235710861 1041194583 /nfs/dbraw/zinc/19/45/83/1041194583.db2.gz ITLVRMOYQBKEKH-UHFFFAOYSA-N 2 2 378.339 3.758 20 0 GHADLP Brc1ccc(-c2ncc(C[N@H+]3CCCC4(C[NH2+]C4)C3)s2)cc1 ZINC001235710861 1041194593 /nfs/dbraw/zinc/19/45/93/1041194593.db2.gz ITLVRMOYQBKEKH-UHFFFAOYSA-N 2 2 378.339 3.758 20 0 GHADLP C[NH+](C)CCN(CC1CCCCC1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001235853622 1041378782 /nfs/dbraw/zinc/37/87/82/1041378782.db2.gz VOBMMOGWHMCFCD-QFIPXVFZSA-N 2 2 397.567 3.778 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001255961334 1041440330 /nfs/dbraw/zinc/44/03/30/1041440330.db2.gz CJYUNKRSADNQEB-XXBNENTESA-N 2 2 389.559 3.761 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001255961334 1041440337 /nfs/dbraw/zinc/44/03/37/1041440337.db2.gz CJYUNKRSADNQEB-XXBNENTESA-N 2 2 389.559 3.761 20 0 GHADLP COC(=O)[C@@H]([NH3+])C1CC[NH+](Cc2c(Cl)ccc(C(F)(F)F)c2Cl)CC1 ZINC001236065424 1041518664 /nfs/dbraw/zinc/51/86/64/1041518664.db2.gz GLSWZDAHJAUASK-AWEZNQCLSA-N 2 2 399.240 3.725 20 0 GHADLP c1ccc([C@H]2CCC[C@H]([N@@H+]3CCc4nnc(C[NH+]5CCCCC5)n4CC3)C2)cc1 ZINC001256119593 1041552779 /nfs/dbraw/zinc/55/27/79/1041552779.db2.gz SQEMDLPGEGCNQH-VXKWHMMOSA-N 2 2 393.579 3.849 20 0 GHADLP c1ccc([C@H]2CCC[C@H]([N@H+]3CCc4nnc(C[NH+]5CCCCC5)n4CC3)C2)cc1 ZINC001256119593 1041552814 /nfs/dbraw/zinc/55/28/14/1041552814.db2.gz SQEMDLPGEGCNQH-VXKWHMMOSA-N 2 2 393.579 3.849 20 0 GHADLP COc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc(OC)c1OCc1ccccc1 ZINC001236219361 1041627090 /nfs/dbraw/zinc/62/70/90/1041627090.db2.gz VLFDEHVOZFKQQV-WOJBJXKFSA-N 2 2 384.520 3.985 20 0 GHADLP COc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc(OC)c1OCc1ccccc1 ZINC001236219361 1041627099 /nfs/dbraw/zinc/62/70/99/1041627099.db2.gz VLFDEHVOZFKQQV-WOJBJXKFSA-N 2 2 384.520 3.985 20 0 GHADLP Ic1ccc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)o1 ZINC001236300570 1041665238 /nfs/dbraw/zinc/66/52/38/1041665238.db2.gz STHGMSATOHOSFJ-UHFFFAOYSA-N 2 2 396.272 3.638 20 0 GHADLP Ic1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)o1 ZINC001236300570 1041665247 /nfs/dbraw/zinc/66/52/47/1041665247.db2.gz STHGMSATOHOSFJ-UHFFFAOYSA-N 2 2 396.272 3.638 20 0 GHADLP Fc1cccc(C[N@H+](Cc2ccc(N3CCCCC3)nc2)C2CC[NH2+]CC2)c1 ZINC001236403101 1041702496 /nfs/dbraw/zinc/70/24/96/1041702496.db2.gz GMGWAHQARJSGCM-UHFFFAOYSA-N 2 2 382.527 3.965 20 0 GHADLP Fc1cccc(C[N@@H+](Cc2ccc(N3CCCCC3)nc2)C2CC[NH2+]CC2)c1 ZINC001236403101 1041702501 /nfs/dbraw/zinc/70/25/01/1041702501.db2.gz GMGWAHQARJSGCM-UHFFFAOYSA-N 2 2 382.527 3.965 20 0 GHADLP C[C@H](Cc1ccccn1)[NH2+]C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001256402203 1041719668 /nfs/dbraw/zinc/71/96/68/1041719668.db2.gz FLQCGOCRGAETNA-BWKNWUBXSA-N 2 2 389.543 3.666 20 0 GHADLP COC(=O)c1cccc(C[N@H+](Cc2ccnc(C(C)(C)C)c2)C2CC[NH2+]CC2)c1 ZINC001236466450 1041728442 /nfs/dbraw/zinc/72/84/42/1041728442.db2.gz HFFXDEBHKMGPSP-UHFFFAOYSA-N 2 2 395.547 3.920 20 0 GHADLP COC(=O)c1cccc(C[N@@H+](Cc2ccnc(C(C)(C)C)c2)C2CC[NH2+]CC2)c1 ZINC001236466450 1041728446 /nfs/dbraw/zinc/72/84/46/1041728446.db2.gz HFFXDEBHKMGPSP-UHFFFAOYSA-N 2 2 395.547 3.920 20 0 GHADLP Fc1cccc(F)c1CN(Cc1ccc(-n2cc[nH+]c2)cc1)C1CC[NH2+]CC1 ZINC001236510637 1041746649 /nfs/dbraw/zinc/74/66/49/1041746649.db2.gz FCBLQIFHLWEOCT-UHFFFAOYSA-N 2 2 382.458 3.905 20 0 GHADLP COc1ccc(C[N@H+](Cc2cc(Cl)ccc2N)C2CC[NH2+]CC2)cc1F ZINC001236515019 1041747936 /nfs/dbraw/zinc/74/79/36/1041747936.db2.gz FOSKERADNGMGAG-UHFFFAOYSA-N 2 2 377.891 3.824 20 0 GHADLP COc1ccc(C[N@@H+](Cc2cc(Cl)ccc2N)C2CC[NH2+]CC2)cc1F ZINC001236515019 1041747945 /nfs/dbraw/zinc/74/79/45/1041747945.db2.gz FOSKERADNGMGAG-UHFFFAOYSA-N 2 2 377.891 3.824 20 0 GHADLP Cc1cc(Br)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC001236832039 1041921638 /nfs/dbraw/zinc/92/16/38/1041921638.db2.gz TUJYFBJAIGVCMO-PGUXBMHVSA-N 2 2 388.147 3.689 20 0 GHADLP Cc1cc(Br)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC001236832039 1041921641 /nfs/dbraw/zinc/92/16/41/1041921641.db2.gz TUJYFBJAIGVCMO-PGUXBMHVSA-N 2 2 388.147 3.689 20 0 GHADLP COc1ccc(CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@@H](C)O)cc1 ZINC001236905322 1041949300 /nfs/dbraw/zinc/94/93/00/1041949300.db2.gz ZIFNCBCJOBFCST-QGZVFWFLSA-N 2 2 399.922 3.960 20 0 GHADLP COc1ccc(CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@@H](C)O)cc1 ZINC001236905322 1041949302 /nfs/dbraw/zinc/94/93/02/1041949302.db2.gz ZIFNCBCJOBFCST-QGZVFWFLSA-N 2 2 399.922 3.960 20 0 GHADLP COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236916526 1041957301 /nfs/dbraw/zinc/95/73/01/1041957301.db2.gz FJCCTTJJWWQRFM-UTKZUKDTSA-N 2 2 389.927 3.933 20 0 GHADLP COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236916526 1041957305 /nfs/dbraw/zinc/95/73/05/1041957305.db2.gz FJCCTTJJWWQRFM-UTKZUKDTSA-N 2 2 389.927 3.933 20 0 GHADLP COc1cc(O[C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)ccn1 ZINC001236929083 1041962144 /nfs/dbraw/zinc/96/21/44/1041962144.db2.gz NWNBKUMSXROUPJ-GOSISDBHSA-N 2 2 384.867 3.583 20 0 GHADLP COc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)ccn1 ZINC001236929083 1041962147 /nfs/dbraw/zinc/96/21/47/1041962147.db2.gz NWNBKUMSXROUPJ-GOSISDBHSA-N 2 2 384.867 3.583 20 0 GHADLP Fc1ccccc1-c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cn1 ZINC001236988111 1041979461 /nfs/dbraw/zinc/97/94/61/1041979461.db2.gz FBGQNJXMMQRERJ-PMACEKPBSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(-c2cncc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)c2)cc1 ZINC001237001598 1041986046 /nfs/dbraw/zinc/98/60/46/1041986046.db2.gz UDCBCAOTXVYHPD-FGZHOGPDSA-N 2 2 388.490 3.847 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cc(O)cc(F)c4)CC3)C2)cc1 ZINC001237280437 1042120990 /nfs/dbraw/zinc/12/09/90/1042120990.db2.gz LTWKPWIHBWZOAC-UHFFFAOYSA-N 2 2 384.495 3.707 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc(O)cc(F)c4)CC3)C2)cc1 ZINC001237280437 1042120993 /nfs/dbraw/zinc/12/09/93/1042120993.db2.gz LTWKPWIHBWZOAC-UHFFFAOYSA-N 2 2 384.495 3.707 20 0 GHADLP COC(=O)c1ccc2c(C[N@@H+]3Cc4ccccc4C34CC[NH2+]CC4)c[nH]c2c1 ZINC001237304477 1042134963 /nfs/dbraw/zinc/13/49/63/1042134963.db2.gz IYHXCILTQWLBCY-UHFFFAOYSA-N 2 2 375.472 3.549 20 0 GHADLP COC(=O)c1ccc2c(C[N@H+]3Cc4ccccc4C34CC[NH2+]CC4)c[nH]c2c1 ZINC001237304477 1042134968 /nfs/dbraw/zinc/13/49/68/1042134968.db2.gz IYHXCILTQWLBCY-UHFFFAOYSA-N 2 2 375.472 3.549 20 0 GHADLP COC(=O)c1ccc2c(C[NH+]3CCC4(CC3)[NH2+]Cc3ccccc34)c[nH]c2c1 ZINC001237366157 1042173615 /nfs/dbraw/zinc/17/36/15/1042173615.db2.gz MMRPSJSMHYADMP-UHFFFAOYSA-N 2 2 375.472 3.549 20 0 GHADLP CC(C)[N@H+](Cc1cc(F)cc(I)c1)C1CC[NH+](C)CC1 ZINC001237386584 1042183114 /nfs/dbraw/zinc/18/31/14/1042183114.db2.gz FENVPGUYQYVSRN-UHFFFAOYSA-N 2 2 390.284 3.735 20 0 GHADLP CC(C)[N@@H+](Cc1cc(F)cc(I)c1)C1CC[NH+](C)CC1 ZINC001237386584 1042183126 /nfs/dbraw/zinc/18/31/26/1042183126.db2.gz FENVPGUYQYVSRN-UHFFFAOYSA-N 2 2 390.284 3.735 20 0 GHADLP CCOC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)c(Cl)c(Cl)c2)CCC12C[NH2+]C2 ZINC001237428514 1042204585 /nfs/dbraw/zinc/20/45/85/1042204585.db2.gz AQIPRURKTRPEDO-LBPRGKRZSA-N 2 2 391.726 3.621 20 0 GHADLP CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)c(Cl)c(Cl)c2)CCC12C[NH2+]C2 ZINC001237428514 1042204591 /nfs/dbraw/zinc/20/45/91/1042204591.db2.gz AQIPRURKTRPEDO-LBPRGKRZSA-N 2 2 391.726 3.621 20 0 GHADLP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)cc1Cl ZINC001237702278 1042332382 /nfs/dbraw/zinc/33/23/82/1042332382.db2.gz JZCKUIAVHGZQBP-SJLPKXTDSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)cc1Cl ZINC001237702278 1042332389 /nfs/dbraw/zinc/33/23/89/1042332389.db2.gz JZCKUIAVHGZQBP-SJLPKXTDSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)cc1Cl ZINC001237702278 1042332397 /nfs/dbraw/zinc/33/23/97/1042332397.db2.gz JZCKUIAVHGZQBP-SJLPKXTDSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)cc1Cl ZINC001237702278 1042332404 /nfs/dbraw/zinc/33/24/04/1042332404.db2.gz JZCKUIAVHGZQBP-SJLPKXTDSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1cc(I)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1C ZINC001238138005 1042501687 /nfs/dbraw/zinc/50/16/87/1042501687.db2.gz BSFMEYSRTOTIFO-UHFFFAOYSA-N 2 2 395.288 3.942 20 0 GHADLP c1cc(-c2cccc(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)c2)n[nH]1 ZINC001238198777 1042516736 /nfs/dbraw/zinc/51/67/36/1042516736.db2.gz HGOHFAQCRCMXAX-UHFFFAOYSA-N 2 2 392.503 3.537 20 0 GHADLP c1cc(-c2cccc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)c2)n[nH]1 ZINC001238198777 1042516739 /nfs/dbraw/zinc/51/67/39/1042516739.db2.gz HGOHFAQCRCMXAX-UHFFFAOYSA-N 2 2 392.503 3.537 20 0 GHADLP COCC[N@H+](Cc1ccc(Br)c(Cl)c1C)C1CC[NH+](C)CC1 ZINC001238215966 1042522612 /nfs/dbraw/zinc/52/26/12/1042522612.db2.gz LCADEKVWCGVWQX-UHFFFAOYSA-N 2 2 389.765 3.954 20 0 GHADLP COCC[N@@H+](Cc1ccc(Br)c(Cl)c1C)C1CC[NH+](C)CC1 ZINC001238215966 1042522613 /nfs/dbraw/zinc/52/26/13/1042522613.db2.gz LCADEKVWCGVWQX-UHFFFAOYSA-N 2 2 389.765 3.954 20 0 GHADLP CC(C)Oc1c(F)cccc1C[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001238321761 1042556386 /nfs/dbraw/zinc/55/63/86/1042556386.db2.gz LMKONLFCXDNPTI-UHFFFAOYSA-N 2 2 399.510 3.879 20 0 GHADLP Cc1cc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)ncc1Cl ZINC001238418917 1042589202 /nfs/dbraw/zinc/58/92/02/1042589202.db2.gz FFMAMIHEEVQEAJ-GOSISDBHSA-N 2 2 389.927 3.892 20 0 GHADLP Cc1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)ncc1Cl ZINC001238418917 1042589204 /nfs/dbraw/zinc/58/92/04/1042589204.db2.gz FFMAMIHEEVQEAJ-GOSISDBHSA-N 2 2 389.927 3.892 20 0 GHADLP COC(=O)c1ccc(C2C[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)cc1 ZINC001256552876 1043518908 /nfs/dbraw/zinc/51/89/08/1043518908.db2.gz CXTYWCKQWMMKFQ-FDDCHVKYSA-N 2 2 378.516 3.926 20 0 GHADLP COC(=O)c1ccc(C2C[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)cc1 ZINC001256552876 1043518911 /nfs/dbraw/zinc/51/89/11/1043518911.db2.gz CXTYWCKQWMMKFQ-FDDCHVKYSA-N 2 2 378.516 3.926 20 0 GHADLP COc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC001256558400 1043530318 /nfs/dbraw/zinc/53/03/18/1043530318.db2.gz RRQUAWYXHQXDHQ-WMZHIEFXSA-N 3 2 394.563 3.702 20 0 GHADLP COc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC001256558400 1043530331 /nfs/dbraw/zinc/53/03/31/1043530331.db2.gz RRQUAWYXHQXDHQ-WMZHIEFXSA-N 3 2 394.563 3.702 20 0 GHADLP COC(=O)c1cccc2c1CC[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256559708 1043534972 /nfs/dbraw/zinc/53/49/72/1043534972.db2.gz NEZIGICJSNSFSQ-WIYYLYMNSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1cccc2c1CC[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256559708 1043534977 /nfs/dbraw/zinc/53/49/77/1043534977.db2.gz NEZIGICJSNSFSQ-WIYYLYMNSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1cccc2c1CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256559708 1043534986 /nfs/dbraw/zinc/53/49/86/1043534986.db2.gz NEZIGICJSNSFSQ-WIYYLYMNSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1cccc2c1CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256559708 1043534994 /nfs/dbraw/zinc/53/49/94/1043534994.db2.gz NEZIGICJSNSFSQ-WIYYLYMNSA-N 2 2 378.516 3.884 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CC(C)(CNC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256561424 1043536936 /nfs/dbraw/zinc/53/69/36/1043536936.db2.gz XSWUJHSNQRWSIE-UYAOXDASSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CC(C)(CNC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256561424 1043536942 /nfs/dbraw/zinc/53/69/42/1043536942.db2.gz XSWUJHSNQRWSIE-UYAOXDASSA-N 2 2 387.568 3.886 20 0 GHADLP COc1cccc(O[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001256612379 1043575825 /nfs/dbraw/zinc/57/58/25/1043575825.db2.gz JGTUXCXMLGCXJB-NRFANRHFSA-N 2 2 381.520 3.598 20 0 GHADLP COc1cccc(O[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001256612379 1043575831 /nfs/dbraw/zinc/57/58/31/1043575831.db2.gz JGTUXCXMLGCXJB-NRFANRHFSA-N 2 2 381.520 3.598 20 0 GHADLP c1ccc(C[N@H+](C2CC2)[C@H]2CCCN(C3CCC([NH+]4CCOCC4)CC3)C2)cc1 ZINC001256696830 1043629052 /nfs/dbraw/zinc/62/90/52/1043629052.db2.gz NODSHIGZZDYTBM-RVMZIBIISA-N 2 2 397.607 3.759 20 0 GHADLP c1ccc(C[N@@H+](C2CC2)[C@H]2CCCN(C3CCC([NH+]4CCOCC4)CC3)C2)cc1 ZINC001256696830 1043629062 /nfs/dbraw/zinc/62/90/62/1043629062.db2.gz NODSHIGZZDYTBM-RVMZIBIISA-N 2 2 397.607 3.759 20 0 GHADLP C[C@H](Cc1ccncc1)[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001256739282 1043642867 /nfs/dbraw/zinc/64/28/67/1043642867.db2.gz AWCNNXYTYGKQET-NQIIRXRSSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@H](Cc1ccncc1)[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001256739282 1043642871 /nfs/dbraw/zinc/64/28/71/1043642871.db2.gz AWCNNXYTYGKQET-NQIIRXRSSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@H](Cc1ccncc1)[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001256739282 1043642880 /nfs/dbraw/zinc/64/28/80/1043642880.db2.gz AWCNNXYTYGKQET-NQIIRXRSSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@H](Cc1ccncc1)[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001256739282 1043642885 /nfs/dbraw/zinc/64/28/85/1043642885.db2.gz AWCNNXYTYGKQET-NQIIRXRSSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@H](Cc1ccncc1)[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001256743727 1043645040 /nfs/dbraw/zinc/64/50/40/1043645040.db2.gz SBQLWILZAKGBNF-GOSISDBHSA-N 2 2 376.504 3.691 20 0 GHADLP C[C@H](Cc1ccncc1)[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001256743727 1043645045 /nfs/dbraw/zinc/64/50/45/1043645045.db2.gz SBQLWILZAKGBNF-GOSISDBHSA-N 2 2 376.504 3.691 20 0 GHADLP C[C@H](Cc1ccncc1)[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001256743727 1043645054 /nfs/dbraw/zinc/64/50/54/1043645054.db2.gz SBQLWILZAKGBNF-GOSISDBHSA-N 2 2 376.504 3.691 20 0 GHADLP C[C@H](Cc1ccncc1)[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001256743727 1043645058 /nfs/dbraw/zinc/64/50/58/1043645058.db2.gz SBQLWILZAKGBNF-GOSISDBHSA-N 2 2 376.504 3.691 20 0 GHADLP FC(F)(F)c1cccnc1N1CCC([NH2+]Cc2ccc3[nH+]ccn3c2)CC1 ZINC001256887043 1043722878 /nfs/dbraw/zinc/72/28/78/1043722878.db2.gz QRELBCFRILPWSS-UHFFFAOYSA-N 2 2 375.398 3.507 20 0 GHADLP O=C1O[C@H]2C[C@@H]1[N@@H+](C1CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC1)C2 ZINC001256928634 1043755670 /nfs/dbraw/zinc/75/56/70/1043755670.db2.gz KAEPCGITFDEUGI-MXXWWZHRSA-N 2 2 390.527 4.000 20 0 GHADLP O=C1O[C@H]2C[C@@H]1[N@H+](C1CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC1)C2 ZINC001256928634 1043755677 /nfs/dbraw/zinc/75/56/77/1043755677.db2.gz KAEPCGITFDEUGI-MXXWWZHRSA-N 2 2 390.527 4.000 20 0 GHADLP COc1ccc([C@H]([NH3+])[C@@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c2ccc(OC)cc2)cc1 ZINC001257078246 1043833585 /nfs/dbraw/zinc/83/35/85/1043833585.db2.gz GPPPYFTZJPMEQC-GMGKTBJVSA-N 2 2 384.520 3.991 20 0 GHADLP CC(C)[C@@H]1C[C@H]([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257187924 1043926619 /nfs/dbraw/zinc/92/66/19/1043926619.db2.gz SLPSWKFMOXETRK-HKBOAZHASA-N 2 2 387.568 3.796 20 0 GHADLP CC(C)[C@@H]1C[C@H]([N@H+]2Cc3ccccc3C[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257187924 1043926626 /nfs/dbraw/zinc/92/66/26/1043926626.db2.gz SLPSWKFMOXETRK-HKBOAZHASA-N 2 2 387.568 3.796 20 0 GHADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)CC1 ZINC001257217638 1043940171 /nfs/dbraw/zinc/94/01/71/1043940171.db2.gz VDZJFAWYSUISNW-HSZRJFAPSA-N 2 2 387.543 3.513 20 0 GHADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)CC1 ZINC001257217638 1043940176 /nfs/dbraw/zinc/94/01/76/1043940176.db2.gz VDZJFAWYSUISNW-HSZRJFAPSA-N 2 2 387.543 3.513 20 0 GHADLP CCC[C@H](C)CC[C@@H](C)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001257486198 1044013447 /nfs/dbraw/zinc/01/34/47/1044013447.db2.gz TVQHSKITXIFNIE-FCHUYYIVSA-N 3 2 392.676 3.768 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)C2 ZINC001257808063 1044190755 /nfs/dbraw/zinc/19/07/55/1044190755.db2.gz VVKHDGAPVWMYMM-FGSXEWAUSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)C2 ZINC001257808063 1044190760 /nfs/dbraw/zinc/19/07/60/1044190760.db2.gz VVKHDGAPVWMYMM-FGSXEWAUSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([N@@H+]1Cc3ccccc3C[C@@H]1C[NH3+])C2 ZINC001257808817 1044190865 /nfs/dbraw/zinc/19/08/65/1044190865.db2.gz RZWIMETYIXUKHR-LGVFNWMJSA-N 2 2 399.579 3.942 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([N@H+]1Cc3ccccc3C[C@@H]1C[NH3+])C2 ZINC001257808817 1044190869 /nfs/dbraw/zinc/19/08/69/1044190869.db2.gz RZWIMETYIXUKHR-LGVFNWMJSA-N 2 2 399.579 3.942 20 0 GHADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257822885 1044204175 /nfs/dbraw/zinc/20/41/75/1044204175.db2.gz RAKQAKLOMARHIM-UGKGYDQZSA-N 2 2 379.589 3.972 20 0 GHADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257822885 1044204179 /nfs/dbraw/zinc/20/41/79/1044204179.db2.gz RAKQAKLOMARHIM-UGKGYDQZSA-N 2 2 379.589 3.972 20 0 GHADLP CC(C)C[NH+]1CCC([NH2+][C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001258001665 1044329742 /nfs/dbraw/zinc/32/97/42/1044329742.db2.gz ZVCVPEQYTMYMIZ-FQEVSTJZSA-N 2 2 375.557 3.962 20 0 GHADLP [NH3+]C1(Cc2ccccc2)CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258138422 1044424001 /nfs/dbraw/zinc/42/40/01/1044424001.db2.gz WKTGOVKQLXDAAP-UHFFFAOYSA-N 3 2 377.576 3.730 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258149534 1044439155 /nfs/dbraw/zinc/43/91/55/1044439155.db2.gz LIJIDCHNAILANO-QUCCMNQESA-N 2 2 387.568 3.681 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258149534 1044439167 /nfs/dbraw/zinc/43/91/67/1044439167.db2.gz LIJIDCHNAILANO-QUCCMNQESA-N 2 2 387.568 3.681 20 0 GHADLP CCOC(=O)CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001258475298 1044574815 /nfs/dbraw/zinc/57/48/15/1044574815.db2.gz DXTQAXGXCYXPET-HNNXBMFYSA-N 2 2 386.458 3.991 20 0 GHADLP C[C@H](Cc1cccnc1)n1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC001258619755 1044671497 /nfs/dbraw/zinc/67/14/97/1044671497.db2.gz WXWZDVKGFZAVTL-HXOBKFHXSA-N 2 2 399.498 3.744 20 0 GHADLP CCCCC[C@@H](CCC)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001258671759 1044705376 /nfs/dbraw/zinc/70/53/76/1044705376.db2.gz QRZJIWNXIVPUFX-VQTJNVASSA-N 2 2 375.605 3.756 20 0 GHADLP CCCCC[C@@H](CCC)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001258671759 1044705391 /nfs/dbraw/zinc/70/53/91/1044705391.db2.gz QRZJIWNXIVPUFX-VQTJNVASSA-N 2 2 375.605 3.756 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCC([NH3+])(Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001258770068 1044755615 /nfs/dbraw/zinc/75/56/15/1044755615.db2.gz DEARGJNTUJUKGW-UHFFFAOYSA-N 3 2 383.502 3.916 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)CC1 ZINC001258773343 1044758467 /nfs/dbraw/zinc/75/84/67/1044758467.db2.gz HAOPXAPKHGCAAB-UHFFFAOYSA-N 3 2 385.596 3.536 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)CC1 ZINC001258773343 1044758481 /nfs/dbraw/zinc/75/84/81/1044758481.db2.gz HAOPXAPKHGCAAB-UHFFFAOYSA-N 3 2 385.596 3.536 20 0 GHADLP COc1cc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc(OC)c1OC ZINC001258864128 1044803275 /nfs/dbraw/zinc/80/32/75/1044803275.db2.gz QRDNTZXWOWVPSH-NQIIRXRSSA-N 2 2 398.547 3.898 20 0 GHADLP COc1cc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc(OC)c1OC ZINC001258864128 1044803293 /nfs/dbraw/zinc/80/32/93/1044803293.db2.gz QRDNTZXWOWVPSH-NQIIRXRSSA-N 2 2 398.547 3.898 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC001296740145 1045365683 /nfs/dbraw/zinc/36/56/83/1045365683.db2.gz ANGPIIXSGUACRY-MRXNPFEDSA-N 2 2 382.533 3.871 20 0 GHADLP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001297114290 1045455082 /nfs/dbraw/zinc/45/50/82/1045455082.db2.gz FBVBDAPVDRQVJZ-FGZHOGPDSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001297114290 1045455087 /nfs/dbraw/zinc/45/50/87/1045455087.db2.gz FBVBDAPVDRQVJZ-FGZHOGPDSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001297114290 1045455092 /nfs/dbraw/zinc/45/50/92/1045455092.db2.gz FBVBDAPVDRQVJZ-FGZHOGPDSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001297114290 1045455102 /nfs/dbraw/zinc/45/51/02/1045455102.db2.gz FBVBDAPVDRQVJZ-FGZHOGPDSA-N 2 2 387.543 3.703 20 0 GHADLP Cc1nc(N2CCCCC2)sc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC001261170360 1045912675 /nfs/dbraw/zinc/91/26/75/1045912675.db2.gz JOVYJOKVHAGEJD-UHFFFAOYSA-N 2 2 381.549 3.976 20 0 GHADLP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000567260337 1046053038 /nfs/dbraw/zinc/05/30/38/1046053038.db2.gz KNKCMIYRMGPZRK-UYAOXDASSA-N 2 2 392.952 3.717 20 0 GHADLP c1ccc(COc2ccc(C[NH+]3CCC([NH2+]C4CCOCC4)CC3)cc2)cc1 ZINC001262113071 1046192645 /nfs/dbraw/zinc/19/26/45/1046192645.db2.gz AOQOXFQMJCPOJF-UHFFFAOYSA-N 2 2 380.532 3.999 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C(C)(C)Cc3ccc(Cl)cc3)c2)CC1 ZINC001302318236 1046908216 /nfs/dbraw/zinc/90/82/16/1046908216.db2.gz LVTGSUZLIXXDIK-UHFFFAOYSA-N 2 2 386.927 3.694 20 0 GHADLP CC[NH+](CC)CC[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC001263800783 1047141024 /nfs/dbraw/zinc/14/10/24/1047141024.db2.gz CTHGYLLECHJSGC-OAQYLSRUSA-N 2 2 383.540 3.703 20 0 GHADLP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1scc2c1OCCO2 ZINC001279135333 1047728884 /nfs/dbraw/zinc/72/88/84/1047728884.db2.gz DHFICDQSZJOZRT-GOOCMWNKSA-N 2 2 391.562 3.569 20 0 GHADLP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1scc2c1OCCO2 ZINC001279135333 1047728887 /nfs/dbraw/zinc/72/88/87/1047728887.db2.gz DHFICDQSZJOZRT-GOOCMWNKSA-N 2 2 391.562 3.569 20 0 GHADLP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](Cc3csc(Cl)n3)C[C@H]2CC1 ZINC001279176615 1047736927 /nfs/dbraw/zinc/73/69/27/1047736927.db2.gz NOZDEQKRCNIYTF-OKILXGFUSA-N 2 2 382.986 3.905 20 0 GHADLP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3csc(Cl)n3)C[C@H]2CC1 ZINC001279176615 1047736929 /nfs/dbraw/zinc/73/69/29/1047736929.db2.gz NOZDEQKRCNIYTF-OKILXGFUSA-N 2 2 382.986 3.905 20 0 GHADLP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3csc(Cl)n3)C[C@H]2CC1 ZINC001279176615 1047736934 /nfs/dbraw/zinc/73/69/34/1047736934.db2.gz NOZDEQKRCNIYTF-OKILXGFUSA-N 2 2 382.986 3.905 20 0 GHADLP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3csc(Cl)n3)C[C@H]2CC1 ZINC001279176615 1047736937 /nfs/dbraw/zinc/73/69/37/1047736937.db2.gz NOZDEQKRCNIYTF-OKILXGFUSA-N 2 2 382.986 3.905 20 0 GHADLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1cc(O)cc(Cl)c1)CC2 ZINC001279318408 1047766119 /nfs/dbraw/zinc/76/61/19/1047766119.db2.gz NBUNRBIEEBBRFO-UHFFFAOYSA-N 2 2 377.941 3.909 20 0 GHADLP Cc1nnc(C[NH+]2CCC3(CCC[N@H+](CCCC(F)(F)F)C3)CC2)s1 ZINC001279568113 1047841046 /nfs/dbraw/zinc/84/10/46/1047841046.db2.gz KJWFYLFFWJMADB-UHFFFAOYSA-N 2 2 376.492 3.867 20 0 GHADLP Cc1nnc(C[NH+]2CCC3(CCC[N@@H+](CCCC(F)(F)F)C3)CC2)s1 ZINC001279568113 1047841052 /nfs/dbraw/zinc/84/10/52/1047841052.db2.gz KJWFYLFFWJMADB-UHFFFAOYSA-N 2 2 376.492 3.867 20 0 GHADLP CC(C)C[C@@H](C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)n1cc[nH+]c1 ZINC001305106207 1047905624 /nfs/dbraw/zinc/90/56/24/1047905624.db2.gz FURWKHDNONVIEM-ACESQOTJSA-N 2 2 394.563 3.887 20 0 GHADLP CC(C)C[C@@H](C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)n1cc[nH+]c1 ZINC001305106207 1047905628 /nfs/dbraw/zinc/90/56/28/1047905628.db2.gz FURWKHDNONVIEM-ACESQOTJSA-N 2 2 394.563 3.887 20 0 GHADLP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1csc(C(F)(F)F)c1)C2 ZINC001279712454 1047931312 /nfs/dbraw/zinc/93/13/12/1047931312.db2.gz ZTVCBNOQNNHRLX-KRWDZBQOSA-N 2 2 375.504 3.616 20 0 GHADLP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1csc(C(F)(F)F)c1)C2 ZINC001279712454 1047931313 /nfs/dbraw/zinc/93/13/13/1047931313.db2.gz ZTVCBNOQNNHRLX-KRWDZBQOSA-N 2 2 375.504 3.616 20 0 GHADLP Fc1c(Cl)cc(Cl)cc1C[NH+]1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001279804687 1047954972 /nfs/dbraw/zinc/95/49/72/1047954972.db2.gz ZBHOMQKZYMZDIA-UHFFFAOYSA-N 2 2 397.325 3.927 20 0 GHADLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Cl)c(C)n1)CC2 ZINC001279935340 1047993973 /nfs/dbraw/zinc/99/39/73/1047993973.db2.gz KMZDWWBCYOMYHN-UHFFFAOYSA-N 2 2 376.957 3.906 20 0 GHADLP CC(C)Oc1ncc(Br)cc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001280326396 1048184932 /nfs/dbraw/zinc/18/49/32/1048184932.db2.gz KKUBNACKQGKRDM-UHFFFAOYSA-N 2 2 396.373 3.939 20 0 GHADLP CC(C)Oc1ncc(Br)cc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001280326396 1048184939 /nfs/dbraw/zinc/18/49/39/1048184939.db2.gz KKUBNACKQGKRDM-UHFFFAOYSA-N 2 2 396.373 3.939 20 0 GHADLP O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001307652836 1049478375 /nfs/dbraw/zinc/47/83/75/1049478375.db2.gz VGPGNQAAWKZFER-KRWDZBQOSA-N 2 2 396.318 3.705 20 0 GHADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001290007767 1049707353 /nfs/dbraw/zinc/70/73/53/1049707353.db2.gz XWJJVLRFDURFGV-MRXNPFEDSA-N 2 2 386.462 3.682 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+][C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)C1 ZINC001308172734 1049899808 /nfs/dbraw/zinc/89/98/08/1049899808.db2.gz XTHCZNYDCISOJV-IVDHNXQLSA-N 2 2 393.616 3.978 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+][C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)C1 ZINC001308172734 1049899816 /nfs/dbraw/zinc/89/98/16/1049899816.db2.gz XTHCZNYDCISOJV-IVDHNXQLSA-N 2 2 393.616 3.978 20 0 GHADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cn4cc(Cl)ccc4n3)cc2)C[C@H](C)O1 ZINC001308196071 1049908245 /nfs/dbraw/zinc/90/82/45/1049908245.db2.gz AOTLMDLCVFSWLG-IRXDYDNUSA-N 2 2 398.938 3.887 20 0 GHADLP C[NH+](C)Cc1ccc(CNc2ccc(-n3cc[nH+]c3)cc2)c2c1OC(F)(F)O2 ZINC001308212496 1049914273 /nfs/dbraw/zinc/91/42/73/1049914273.db2.gz WYAAJGWNRNFQSA-UHFFFAOYSA-N 2 2 386.402 3.868 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(F)c1 ZINC001308282972 1049936283 /nfs/dbraw/zinc/93/62/83/1049936283.db2.gz PPVYQCUBVJDMLW-QFBILLFUSA-N 2 2 376.497 3.847 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(F)c1 ZINC001308282972 1049936286 /nfs/dbraw/zinc/93/62/86/1049936286.db2.gz PPVYQCUBVJDMLW-QFBILLFUSA-N 2 2 376.497 3.847 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@H+](C)CCOc2ccccc2)c2c1OC(F)(F)O2 ZINC001308560889 1050009369 /nfs/dbraw/zinc/00/93/69/1050009369.db2.gz VZPDUJQDMRPTCC-UHFFFAOYSA-N 2 2 378.419 3.581 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@@H+](C)CCOc2ccccc2)c2c1OC(F)(F)O2 ZINC001308560889 1050009374 /nfs/dbraw/zinc/00/93/74/1050009374.db2.gz VZPDUJQDMRPTCC-UHFFFAOYSA-N 2 2 378.419 3.581 20 0 GHADLP Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001308598384 1050026554 /nfs/dbraw/zinc/02/65/54/1050026554.db2.gz OUAGNAQJILBYHZ-NZQKXSOJSA-N 2 2 381.568 3.890 20 0 GHADLP Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001308598384 1050026560 /nfs/dbraw/zinc/02/65/60/1050026560.db2.gz OUAGNAQJILBYHZ-NZQKXSOJSA-N 2 2 381.568 3.890 20 0 GHADLP Cn1cnnc1[C@@H]1CCC[NH+]1C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001308598384 1050026566 /nfs/dbraw/zinc/02/65/66/1050026566.db2.gz OUAGNAQJILBYHZ-NZQKXSOJSA-N 2 2 381.568 3.890 20 0 GHADLP Cn1cnnc1[C@@H]1CCC[NH+]1C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001308598384 1050026573 /nfs/dbraw/zinc/02/65/73/1050026573.db2.gz OUAGNAQJILBYHZ-NZQKXSOJSA-N 2 2 381.568 3.890 20 0 GHADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(OC(F)F)ccc2Br)C1 ZINC001308748360 1050080299 /nfs/dbraw/zinc/08/02/99/1050080299.db2.gz SRLJRCSFCQJUAR-MLGOLLRUSA-N 2 2 389.284 3.967 20 0 GHADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(OC(F)F)ccc2Br)C1 ZINC001308748360 1050080304 /nfs/dbraw/zinc/08/03/04/1050080304.db2.gz SRLJRCSFCQJUAR-MLGOLLRUSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(OC(F)F)ccc2Br)C1 ZINC001308748360 1050080311 /nfs/dbraw/zinc/08/03/11/1050080311.db2.gz SRLJRCSFCQJUAR-MLGOLLRUSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(OC(F)F)ccc2Br)C1 ZINC001308748360 1050080317 /nfs/dbraw/zinc/08/03/17/1050080317.db2.gz SRLJRCSFCQJUAR-MLGOLLRUSA-N 2 2 389.284 3.967 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001330099389 1050955902 /nfs/dbraw/zinc/95/59/02/1050955902.db2.gz OAYHKPWBTVFSKM-FRIKZZABSA-N 2 2 393.531 3.934 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001330099389 1050955905 /nfs/dbraw/zinc/95/59/05/1050955905.db2.gz OAYHKPWBTVFSKM-FRIKZZABSA-N 2 2 393.531 3.934 20 0 GHADLP CC1CC[NH+]([C@H](CNC(=O)Nc2cc[nH+]c(N(C)C)c2)c2cccs2)CC1 ZINC001311076472 1051830744 /nfs/dbraw/zinc/83/07/44/1051830744.db2.gz KZKLKYKVARHXAE-QGZVFWFLSA-N 2 2 387.553 3.804 20 0 GHADLP COCCCOc1cccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c1C ZINC001333788906 1051839911 /nfs/dbraw/zinc/83/99/11/1051839911.db2.gz IRNXVXZJSGLANR-UHFFFAOYSA-N 2 2 380.448 3.552 20 0 GHADLP C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001312183179 1052622701 /nfs/dbraw/zinc/62/27/01/1052622701.db2.gz YSDLKWKMMFCGDG-QGZVFWFLSA-N 2 2 381.524 3.640 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC001312685775 1052837660 /nfs/dbraw/zinc/83/76/60/1052837660.db2.gz KKUZWVKEEAROIA-FDFHNCONSA-N 2 2 392.632 3.934 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC001312685775 1052837664 /nfs/dbraw/zinc/83/76/64/1052837664.db2.gz KKUZWVKEEAROIA-FDFHNCONSA-N 2 2 392.632 3.934 20 0 GHADLP CC[NH+](CC)C1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2C)CC1 ZINC001317879810 1054287987 /nfs/dbraw/zinc/28/79/87/1054287987.db2.gz CIPIYAVRENRPQN-NRFANRHFSA-N 2 2 376.585 3.838 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001344378804 1054403975 /nfs/dbraw/zinc/40/39/75/1054403975.db2.gz WCTXUBJHYWBTII-UHFFFAOYSA-N 2 2 384.430 3.857 20 0 GHADLP C[C@@H](C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001320627607 1055908040 /nfs/dbraw/zinc/90/80/40/1055908040.db2.gz CUHCKZGMSAHPPT-BBWFWOEESA-N 2 2 383.540 3.749 20 0 GHADLP C[C@@H](C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001320627607 1055908043 /nfs/dbraw/zinc/90/80/43/1055908043.db2.gz CUHCKZGMSAHPPT-BBWFWOEESA-N 2 2 383.540 3.749 20 0 GHADLP C/C=C/c1ccc(OCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(OC)c1 ZINC001322844872 1056865898 /nfs/dbraw/zinc/86/58/98/1056865898.db2.gz DVVFAJJYIAYIML-SNAWJCMRSA-N 2 2 378.432 3.635 20 0 GHADLP Cc1nc(C)c(C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)s1 ZINC001200790909 1056951295 /nfs/dbraw/zinc/95/12/95/1056951295.db2.gz DDMARUYFOYWDLY-UHFFFAOYSA-N 2 2 376.913 3.979 20 0 GHADLP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)cc1 ZINC001326372979 1057469713 /nfs/dbraw/zinc/46/97/13/1057469713.db2.gz UJQSPVFYDADBTK-OAHLLOKOSA-N 2 2 377.492 3.821 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)c1 ZINC001326467652 1057489865 /nfs/dbraw/zinc/48/98/65/1057489865.db2.gz ZUHHMRFKTOJDSQ-UHFFFAOYSA-N 2 2 386.459 3.888 20 0 GHADLP CCc1cccc(NC(=[NH2+])NCCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000849069893 1057579747 /nfs/dbraw/zinc/57/97/47/1057579747.db2.gz UKEBMLZZCAHBGI-UHFFFAOYSA-N 2 2 393.579 3.783 20 0 GHADLP Cc1cccc(NC(=[NH2+])NCCc2cn3cc(Br)cc(C)c3[nH+]2)c1 ZINC000849082338 1057585913 /nfs/dbraw/zinc/58/59/13/1057585913.db2.gz UVTCXDFGEUGHMW-UHFFFAOYSA-N 2 2 386.297 3.893 20 0 GHADLP CC[C@H](C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1)[NH+](C)C ZINC001440683828 1058584526 /nfs/dbraw/zinc/58/45/26/1058584526.db2.gz YFVTULXWYPZNPR-LJQANCHMSA-N 2 2 389.540 3.539 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)[NH+]1CCCC[C@H]1C ZINC001441485881 1058792942 /nfs/dbraw/zinc/79/29/42/1058792942.db2.gz FROCTJZPXRHUQI-OPYAIIAOSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)[NH+]1CCCC[C@H]1C ZINC001441485881 1058792964 /nfs/dbraw/zinc/79/29/64/1058792964.db2.gz FROCTJZPXRHUQI-OPYAIIAOSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1)[N@@H+]1CCCC[C@H]1C ZINC001441485881 1058792983 /nfs/dbraw/zinc/79/29/83/1058792983.db2.gz FROCTJZPXRHUQI-OPYAIIAOSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1)[N@H+]1CCCC[C@H]1C ZINC001441485881 1058793001 /nfs/dbraw/zinc/79/30/01/1058793001.db2.gz FROCTJZPXRHUQI-OPYAIIAOSA-N 2 2 375.532 3.559 20 0 GHADLP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001338823683 1058812764 /nfs/dbraw/zinc/81/27/64/1058812764.db2.gz HJWUCGISZZAWDO-JOCHJYFZSA-N 2 2 398.595 3.741 20 0 GHADLP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001338823683 1058812781 /nfs/dbraw/zinc/81/27/81/1058812781.db2.gz HJWUCGISZZAWDO-JOCHJYFZSA-N 2 2 398.595 3.741 20 0 GHADLP CN(C(=O)C1(c2ccccc2)CCCCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001443775589 1059202484 /nfs/dbraw/zinc/20/24/84/1059202484.db2.gz ARFCNZAMPFIRSC-HSZRJFAPSA-N 2 2 397.607 3.906 20 0 GHADLP CN(C(=O)C1(c2ccccc2)CCCCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001443775589 1059202502 /nfs/dbraw/zinc/20/25/02/1059202502.db2.gz ARFCNZAMPFIRSC-HSZRJFAPSA-N 2 2 397.607 3.906 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001447348087 1059951883 /nfs/dbraw/zinc/95/18/83/1059951883.db2.gz ULGGTSBIBWRJAE-UVUJQTEASA-N 2 2 392.547 3.689 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001447348087 1059951884 /nfs/dbraw/zinc/95/18/84/1059951884.db2.gz ULGGTSBIBWRJAE-UVUJQTEASA-N 2 2 392.547 3.689 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC001450071105 1060520754 /nfs/dbraw/zinc/52/07/54/1060520754.db2.gz FSNNXDMDGVAKLN-NRFANRHFSA-N 2 2 378.520 3.703 20 0 GHADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC001450071105 1060520773 /nfs/dbraw/zinc/52/07/73/1060520773.db2.gz FSNNXDMDGVAKLN-NRFANRHFSA-N 2 2 378.520 3.703 20 0 GHADLP COc1cccc(C[NH+]2CCC([NH2+]C[C@H](O)c3ccc(Cl)c(F)c3)CC2)c1 ZINC001346108738 1061367118 /nfs/dbraw/zinc/36/71/18/1061367118.db2.gz DBBHGUMVPKNTQU-NRFANRHFSA-N 2 2 392.902 3.775 20 0 GHADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001545880434 1062061074 /nfs/dbraw/zinc/06/10/74/1062061074.db2.gz ZXXSIKBOPHURSZ-IRLDBZIGSA-N 2 2 398.551 3.689 20 0 GHADLP CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001545880434 1062061095 /nfs/dbraw/zinc/06/10/95/1062061095.db2.gz ZXXSIKBOPHURSZ-IRLDBZIGSA-N 2 2 398.551 3.689 20 0 GHADLP COc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3CNc3cccc(C)[nH+]3)o2)c1 ZINC001459750419 1064199708 /nfs/dbraw/zinc/19/97/08/1064199708.db2.gz UEXMCUJRDOSKAM-QGZVFWFLSA-N 2 2 379.464 3.525 20 0 GHADLP COc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3CNc3cccc(C)[nH+]3)o2)c1 ZINC001459750419 1064199711 /nfs/dbraw/zinc/19/97/11/1064199711.db2.gz UEXMCUJRDOSKAM-QGZVFWFLSA-N 2 2 379.464 3.525 20 0 GHADLP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001464130438 1064843826 /nfs/dbraw/zinc/84/38/26/1064843826.db2.gz UWKOJQZPNLRQIW-MOPGFXCFSA-N 2 2 395.950 3.997 20 0 GHADLP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001464130438 1064843837 /nfs/dbraw/zinc/84/38/37/1064843837.db2.gz UWKOJQZPNLRQIW-MOPGFXCFSA-N 2 2 395.950 3.997 20 0 GHADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)c(N(C)C)[nH+]1 ZINC001466312817 1066086769 /nfs/dbraw/zinc/08/67/69/1066086769.db2.gz MXJOMKXIUXSRJE-GOSISDBHSA-N 2 2 380.536 3.738 20 0 GHADLP C[C@H](NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@H](c1ccccc1)[NH+](C)C ZINC001467372925 1067257872 /nfs/dbraw/zinc/25/78/72/1067257872.db2.gz LKAVXXAWBYVZMX-LAUBAEHRSA-N 2 2 381.524 3.885 20 0 GHADLP C[C@@]1([NH2+]CC[C@@H]2CCOC2=O)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001460876531 1069244889 /nfs/dbraw/zinc/24/48/89/1069244889.db2.gz WLYSPZKLUOKSBN-AOHZBQACSA-N 2 2 378.516 3.588 20 0 GHADLP C[C@@]1([NH2+]CC[C@@H]2CCOC2=O)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001460876531 1069244905 /nfs/dbraw/zinc/24/49/05/1069244905.db2.gz WLYSPZKLUOKSBN-AOHZBQACSA-N 2 2 378.516 3.588 20 0 GHADLP Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](c4c[nH+]cn4C(C)(C)C)C3)C2=O)cc1 ZINC001460973198 1069308275 /nfs/dbraw/zinc/30/82/75/1069308275.db2.gz LUPORLLASAWYPQ-ICSRJNTNSA-N 2 2 380.536 3.931 20 0 GHADLP Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H](c4c[nH+]cn4C(C)(C)C)C3)C2=O)cc1 ZINC001460973198 1069308283 /nfs/dbraw/zinc/30/82/83/1069308283.db2.gz LUPORLLASAWYPQ-ICSRJNTNSA-N 2 2 380.536 3.931 20 0 GHADLP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001471236843 1072979007 /nfs/dbraw/zinc/97/90/07/1072979007.db2.gz XBNKHLXXUAPXIW-FGZHOGPDSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001471236843 1072979009 /nfs/dbraw/zinc/97/90/09/1072979009.db2.gz XBNKHLXXUAPXIW-FGZHOGPDSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001471236843 1072979010 /nfs/dbraw/zinc/97/90/10/1072979010.db2.gz XBNKHLXXUAPXIW-FGZHOGPDSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001471236843 1072979016 /nfs/dbraw/zinc/97/90/16/1072979016.db2.gz XBNKHLXXUAPXIW-FGZHOGPDSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001479107773 1079106809 /nfs/dbraw/zinc/10/68/09/1079106809.db2.gz STKDHFKOZZJTML-NRFANRHFSA-N 2 2 395.551 3.744 20 0 GHADLP O=C(N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001479107773 1079106811 /nfs/dbraw/zinc/10/68/11/1079106811.db2.gz STKDHFKOZZJTML-NRFANRHFSA-N 2 2 395.551 3.744 20 0 GHADLP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001473586091 1074033074 /nfs/dbraw/zinc/03/30/74/1074033074.db2.gz BVLPKCCQBKHDAB-INIZCTEOSA-N 2 2 397.910 3.982 20 0 GHADLP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001473586091 1074033077 /nfs/dbraw/zinc/03/30/77/1074033077.db2.gz BVLPKCCQBKHDAB-INIZCTEOSA-N 2 2 397.910 3.982 20 0 GHADLP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@H+](CCOCC(F)(F)C(F)F)C2 ZINC001473718398 1074105386 /nfs/dbraw/zinc/10/53/86/1074105386.db2.gz JTPKZRRKLWKSEX-KDURUIRLSA-N 2 2 388.449 3.747 20 0 GHADLP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@@H+](CCOCC(F)(F)C(F)F)C2 ZINC001473718398 1074105388 /nfs/dbraw/zinc/10/53/88/1074105388.db2.gz JTPKZRRKLWKSEX-KDURUIRLSA-N 2 2 388.449 3.747 20 0 GHADLP C[C@@]12C[NH+](CCOCC(F)(F)C(F)F)C[C@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001473718398 1074105390 /nfs/dbraw/zinc/10/53/90/1074105390.db2.gz JTPKZRRKLWKSEX-KDURUIRLSA-N 2 2 388.449 3.747 20 0 GHADLP C[C@@]12C[NH+](CCOCC(F)(F)C(F)F)C[C@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001473718398 1074105394 /nfs/dbraw/zinc/10/53/94/1074105394.db2.gz JTPKZRRKLWKSEX-KDURUIRLSA-N 2 2 388.449 3.747 20 0 GHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cnc([C@@H]4CCCO4)s3)c2)CCO1 ZINC001473955406 1074217185 /nfs/dbraw/zinc/21/71/85/1074217185.db2.gz ZRIWKZAZJHWJHO-JXFKEZNVSA-N 2 2 387.549 3.505 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnc([C@@H]4CCCO4)s3)c2)CCO1 ZINC001473955406 1074217187 /nfs/dbraw/zinc/21/71/87/1074217187.db2.gz ZRIWKZAZJHWJHO-JXFKEZNVSA-N 2 2 387.549 3.505 20 0 GHADLP COc1cc2ccccc2cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001474020115 1074238284 /nfs/dbraw/zinc/23/82/84/1074238284.db2.gz JUOLYBLNVGDPFY-ZEQRLZLVSA-N 2 2 390.527 3.821 20 0 GHADLP COc1cc2ccccc2cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001474020115 1074238287 /nfs/dbraw/zinc/23/82/87/1074238287.db2.gz JUOLYBLNVGDPFY-ZEQRLZLVSA-N 2 2 390.527 3.821 20 0 GHADLP Cc1cn2c(C[NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)c(C)nc2s1 ZINC001474022929 1074239117 /nfs/dbraw/zinc/23/91/17/1074239117.db2.gz KWPKQQWIMSNNHC-UHFFFAOYSA-N 2 2 383.565 3.837 20 0 GHADLP c1ccc2c(c1)CC[C@@H]2CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001474163235 1074280099 /nfs/dbraw/zinc/28/00/99/1074280099.db2.gz MNGAHTLDPOFSEX-JOCHJYFZSA-N 2 2 380.532 3.607 20 0 GHADLP CC[C@](C)(C[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1)OC ZINC001474565678 1074465658 /nfs/dbraw/zinc/46/56/58/1074465658.db2.gz KOJKVIIGPFGVQB-OAQYLSRUSA-N 2 2 379.976 3.742 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)Cc3c4c(nn3C)CCCC4)cc2)C[C@H](C)O1 ZINC001474680310 1074511240 /nfs/dbraw/zinc/51/12/40/1074511240.db2.gz VPLRCAMRGBNUEE-KDURUIRLSA-N 2 2 396.579 3.540 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3c4c(nn3C)CCCC4)cc2)C[C@H](C)O1 ZINC001474680310 1074511244 /nfs/dbraw/zinc/51/12/44/1074511244.db2.gz VPLRCAMRGBNUEE-KDURUIRLSA-N 2 2 396.579 3.540 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3c4c(nn3C)CCCC4)cc2)C[C@H](C)O1 ZINC001474680310 1074511248 /nfs/dbraw/zinc/51/12/48/1074511248.db2.gz VPLRCAMRGBNUEE-KDURUIRLSA-N 2 2 396.579 3.540 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3c4c(nn3C)CCCC4)cc2)C[C@H](C)O1 ZINC001474680310 1074511253 /nfs/dbraw/zinc/51/12/53/1074511253.db2.gz VPLRCAMRGBNUEE-KDURUIRLSA-N 2 2 396.579 3.540 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC001474682832 1074512713 /nfs/dbraw/zinc/51/27/13/1074512713.db2.gz RIBZUIDWXSKWBG-HOJAQTOUSA-N 2 2 384.524 3.860 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000826330919 609340554 /nfs/dbraw/zinc/34/05/54/609340554.db2.gz NLXUFARREGHBKH-KGLIPLIRSA-N 2 2 391.454 3.912 20 0 GHADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164638486 719236354 /nfs/dbraw/zinc/23/63/54/719236354.db2.gz ZYAYURPHCKAWSL-HOTGVXAUSA-N 2 2 399.608 3.695 20 0 GHADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164638486 719236358 /nfs/dbraw/zinc/23/63/58/719236358.db2.gz ZYAYURPHCKAWSL-HOTGVXAUSA-N 2 2 399.608 3.695 20 0 GHADLP C[C@@H]1CN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)[C@@H](C)C[N@@H+]1C ZINC000508339505 719247488 /nfs/dbraw/zinc/24/74/88/719247488.db2.gz OHZFWNWXZIUENV-CVEARBPZSA-N 2 2 395.576 3.949 20 0 GHADLP C[C@@H]1CN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)[C@@H](C)C[N@H+]1C ZINC000508339505 719247494 /nfs/dbraw/zinc/24/74/94/719247494.db2.gz OHZFWNWXZIUENV-CVEARBPZSA-N 2 2 395.576 3.949 20 0 GHADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(NC4CC4)c(C)c[nH+]2)CC3)cs1 ZINC001164693825 719803544 /nfs/dbraw/zinc/80/35/44/719803544.db2.gz VIOQJUHAXTUBHW-UHFFFAOYSA-N 2 2 398.580 3.759 20 0 GHADLP Cc1nc(C[N@H+]2CCCC23CCN(c2nc(NC4CC4)c(C)c[nH+]2)CC3)cs1 ZINC001164693825 719803548 /nfs/dbraw/zinc/80/35/48/719803548.db2.gz VIOQJUHAXTUBHW-UHFFFAOYSA-N 2 2 398.580 3.759 20 0 GHADLP CCc1nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)cc(C)[nH+]1 ZINC001164938614 721930975 /nfs/dbraw/zinc/93/09/75/721930975.db2.gz AVJXGMWSQUMXOS-UHFFFAOYSA-N 2 2 380.536 3.527 20 0 GHADLP CCc1nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)cc(C)[nH+]1 ZINC001164938614 721930979 /nfs/dbraw/zinc/93/09/79/721930979.db2.gz AVJXGMWSQUMXOS-UHFFFAOYSA-N 2 2 380.536 3.527 20 0 GHADLP Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]c2ccccc12 ZINC001164983767 722114641 /nfs/dbraw/zinc/11/46/41/722114641.db2.gz ZZODZYJQPVZLLT-NFBKMPQASA-N 2 2 388.515 3.666 20 0 GHADLP Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]c2ccccc12 ZINC001164983767 722114645 /nfs/dbraw/zinc/11/46/45/722114645.db2.gz ZZODZYJQPVZLLT-NFBKMPQASA-N 2 2 388.515 3.666 20 0 GHADLP CCN(C)c1cc(C)[nH+]c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164991113 722190798 /nfs/dbraw/zinc/19/07/98/722190798.db2.gz ZCUYXSAZFOAIGP-JOCHJYFZSA-N 2 2 383.515 3.625 20 0 GHADLP CCN(C)c1cc(C)[nH+]c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164991113 722190802 /nfs/dbraw/zinc/19/08/02/722190802.db2.gz ZCUYXSAZFOAIGP-JOCHJYFZSA-N 2 2 383.515 3.625 20 0 GHADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)nn1 ZINC000414389654 837595955 /nfs/dbraw/zinc/59/59/55/837595955.db2.gz GPAYKDIIAXIGAO-VQIMIIECSA-N 2 2 378.442 3.977 20 0 GHADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)nn1 ZINC000414389654 837595961 /nfs/dbraw/zinc/59/59/61/837595961.db2.gz GPAYKDIIAXIGAO-VQIMIIECSA-N 2 2 378.442 3.977 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(OCc2cccnc2)cc1 ZINC000655689414 837609353 /nfs/dbraw/zinc/60/93/53/837609353.db2.gz CUTBIMVOCCRQEY-XMSQKQJNSA-N 2 2 381.520 3.565 20 0 GHADLP Cc1ccc(C)c(Oc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cn2)c1 ZINC000655690438 837664282 /nfs/dbraw/zinc/66/42/82/837664282.db2.gz ABUUCVPLNJYKGZ-NRFANRHFSA-N 2 2 381.520 3.834 20 0 GHADLP CCOc1ccccc1Oc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cn1 ZINC000655694678 837684290 /nfs/dbraw/zinc/68/42/90/837684290.db2.gz JOLCPJLQUUXHGR-FQEVSTJZSA-N 2 2 397.519 3.616 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)([NH+]2CCCCC2)CC1 ZINC000172748964 834642649 /nfs/dbraw/zinc/64/26/49/834642649.db2.gz AWTUZLVMWAEDCC-VQTJNVASSA-N 2 2 389.971 3.510 20 0 GHADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157227209 834813103 /nfs/dbraw/zinc/81/31/03/834813103.db2.gz YMSNMZHFUPKQMY-QYZOEREBSA-N 2 2 375.582 3.750 20 0 GHADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157227209 834813113 /nfs/dbraw/zinc/81/31/13/834813113.db2.gz YMSNMZHFUPKQMY-QYZOEREBSA-N 2 2 375.582 3.750 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cc2ccncc2s1 ZINC000657890402 835018124 /nfs/dbraw/zinc/01/81/24/835018124.db2.gz VUDQRFMRFITBFK-VDGAXYAQSA-N 2 2 381.545 3.830 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cc2ccncc2s1 ZINC000657890402 835018131 /nfs/dbraw/zinc/01/81/31/835018131.db2.gz VUDQRFMRFITBFK-VDGAXYAQSA-N 2 2 381.545 3.830 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000583884191 835200978 /nfs/dbraw/zinc/20/09/78/835200978.db2.gz FKLMTBLUXFRNBN-GHTZIAJQSA-N 2 2 394.563 3.839 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000583884191 835200983 /nfs/dbraw/zinc/20/09/83/835200983.db2.gz FKLMTBLUXFRNBN-GHTZIAJQSA-N 2 2 394.563 3.839 20 0 GHADLP Cc1c(Br)cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1Br ZINC000685629725 835238372 /nfs/dbraw/zinc/23/83/72/835238372.db2.gz JUYJDCLAPQFZDS-LLVKDONJSA-N 2 2 399.130 3.890 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CSCCc4ccccc43)C2)cc1 ZINC000683229301 835321542 /nfs/dbraw/zinc/32/15/42/835321542.db2.gz BHDMFUREHBINSA-FYYLOGMGSA-N 2 2 382.573 3.898 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CSCCc4ccccc43)C2)cc1 ZINC000683229301 835321550 /nfs/dbraw/zinc/32/15/50/835321550.db2.gz BHDMFUREHBINSA-FYYLOGMGSA-N 2 2 382.573 3.898 20 0 GHADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000471184677 835531781 /nfs/dbraw/zinc/53/17/81/835531781.db2.gz DXBIYEWFNNKEOQ-UHFFFAOYSA-N 2 2 396.560 3.559 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)c3cc4cnccc4o3)CC2)c1 ZINC000657827556 835566819 /nfs/dbraw/zinc/56/68/19/835566819.db2.gz NINHNDYWRLXAHU-LJQANCHMSA-N 2 2 378.520 3.999 20 0 GHADLP C[NH+]1CCC([N@H+](CCO)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000179486774 835584280 /nfs/dbraw/zinc/58/42/80/835584280.db2.gz RPHRWBDEYRWDSY-UHFFFAOYSA-N 2 2 384.364 3.613 20 0 GHADLP C[NH+]1CCC([N@@H+](CCO)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000179486774 835584285 /nfs/dbraw/zinc/58/42/85/835584285.db2.gz RPHRWBDEYRWDSY-UHFFFAOYSA-N 2 2 384.364 3.613 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151832886 835895967 /nfs/dbraw/zinc/89/59/67/835895967.db2.gz BSNNXELVJLPDGD-WIYYLYMNSA-N 2 2 383.540 3.518 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000547748304 836001625 /nfs/dbraw/zinc/00/16/25/836001625.db2.gz BAHFLFYXZHYBBS-AZUAARDMSA-N 2 2 386.584 3.730 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000547748304 836001633 /nfs/dbraw/zinc/00/16/33/836001633.db2.gz BAHFLFYXZHYBBS-AZUAARDMSA-N 2 2 386.584 3.730 20 0 GHADLP COc1cc2c(c(C[N@H+](C)C3CC[NH+](CCc4ccccn4)CC3)c1)O[C@H](C)C2 ZINC000092645143 844143254 /nfs/dbraw/zinc/14/32/54/844143254.db2.gz BKQAJRPBSJLQTC-GOSISDBHSA-N 2 2 395.547 3.553 20 0 GHADLP COc1cc2c(c(C[N@@H+](C)C3CC[NH+](CCc4ccccn4)CC3)c1)O[C@H](C)C2 ZINC000092645143 844143258 /nfs/dbraw/zinc/14/32/58/844143258.db2.gz BKQAJRPBSJLQTC-GOSISDBHSA-N 2 2 395.547 3.553 20 0 GHADLP CC(C)[C@@H](C[NH2+]Cc1ccc(-n2cncn2)c(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000045822342 836263349 /nfs/dbraw/zinc/26/33/49/836263349.db2.gz UUIYLYCNASCUIP-HSZRJFAPSA-N 2 2 393.510 3.579 20 0 GHADLP CC(C)[C@@H](C[NH2+]Cc1ccc(-n2cncn2)c(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000045822342 836263358 /nfs/dbraw/zinc/26/33/58/836263358.db2.gz UUIYLYCNASCUIP-HSZRJFAPSA-N 2 2 393.510 3.579 20 0 GHADLP CC[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1F ZINC000650932630 836310486 /nfs/dbraw/zinc/31/04/86/836310486.db2.gz NRAWBYUDBIXNOA-FQEVSTJZSA-N 2 2 390.547 3.526 20 0 GHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000092664597 844156746 /nfs/dbraw/zinc/15/67/46/844156746.db2.gz MCWYYJDNSYTMFZ-PMACEKPBSA-N 2 2 396.554 3.878 20 0 GHADLP CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc2)CC1 ZINC000332751404 836537970 /nfs/dbraw/zinc/53/79/70/836537970.db2.gz CLGFRQBQGLLMPD-RTWAWAEBSA-N 2 2 395.551 3.772 20 0 GHADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000177485732 836638165 /nfs/dbraw/zinc/63/81/65/836638165.db2.gz DHHWOVCYBWVFIN-IEBWSBKVSA-N 2 2 388.556 3.818 20 0 GHADLP O=C(CC[NH+]1CCC(n2cc[nH+]c2)CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000109796114 836706466 /nfs/dbraw/zinc/70/64/66/836706466.db2.gz AIYVTRIXRYEDRE-JOCHJYFZSA-N 2 2 394.544 3.877 20 0 GHADLP CCOC(=O)c1c(C)cc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)[nH+]c1C ZINC001167160881 836733695 /nfs/dbraw/zinc/73/36/95/836733695.db2.gz JSAUIXVINCZYQO-UHFFFAOYSA-N 2 2 379.504 3.517 20 0 GHADLP CC(C)Oc1ccc(Cl)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000579891268 836820640 /nfs/dbraw/zinc/82/06/40/836820640.db2.gz KSYGZSGGDRYHFQ-UHFFFAOYSA-N 2 2 396.963 3.617 20 0 GHADLP CC(C)Oc1ccc(Cl)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000579891268 836820646 /nfs/dbraw/zinc/82/06/46/836820646.db2.gz KSYGZSGGDRYHFQ-UHFFFAOYSA-N 2 2 396.963 3.617 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1Br ZINC000510244016 836942611 /nfs/dbraw/zinc/94/26/11/836942611.db2.gz STIITLSVIAGJEB-LLVKDONJSA-N 2 2 384.343 3.827 20 0 GHADLP CN(C(=O)[C@H]1CCCC2(CC2)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612958548 837016847 /nfs/dbraw/zinc/01/68/47/837016847.db2.gz CLGFJGGESWIJGD-CEWLAPEOSA-N 2 2 375.601 3.752 20 0 GHADLP CN(C(=O)[C@H]1CCCC2(CC2)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612958548 837016857 /nfs/dbraw/zinc/01/68/57/837016857.db2.gz CLGFJGGESWIJGD-CEWLAPEOSA-N 2 2 375.601 3.752 20 0 GHADLP Clc1cccc(N2CCOCC2)c1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000549761207 844243505 /nfs/dbraw/zinc/24/35/05/844243505.db2.gz WWSLETFMTDLMEL-UHFFFAOYSA-N 2 2 377.960 3.673 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000103303310 837300776 /nfs/dbraw/zinc/30/07/76/837300776.db2.gz DAFPYFXNRHVJTC-LJQANCHMSA-N 2 2 395.551 3.804 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000103303310 837300785 /nfs/dbraw/zinc/30/07/85/837300785.db2.gz DAFPYFXNRHVJTC-LJQANCHMSA-N 2 2 395.551 3.804 20 0 GHADLP COc1ccc(C[C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(C)c1OC ZINC000579966427 838108983 /nfs/dbraw/zinc/10/89/83/838108983.db2.gz GUCNTEDGQKINFS-OXJNMPFZSA-N 2 2 398.551 3.591 20 0 GHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CCn4cc[nH+]c4C2)CCC3)cc1 ZINC000547979662 838193429 /nfs/dbraw/zinc/19/34/29/838193429.db2.gz MGYCVSXZANVXKL-NVXWUHKLSA-N 2 2 380.517 3.997 20 0 GHADLP [NH3+]C[C@H]1CCCc2ccc(C(=O)NCc3cc[nH+]c(N4CCCCCC4)c3)cc21 ZINC000659286895 838203061 /nfs/dbraw/zinc/20/30/61/838203061.db2.gz SGJMOHPLYRSWII-OAQYLSRUSA-N 2 2 392.547 3.771 20 0 GHADLP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000415943348 838295202 /nfs/dbraw/zinc/29/52/02/838295202.db2.gz LMQQDISFQYPQKC-LEWJYISDSA-N 2 2 375.476 3.653 20 0 GHADLP C[C@H](C1CCCCC1)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000549106314 838427361 /nfs/dbraw/zinc/42/73/61/838427361.db2.gz SBLIPSRCNYWXMA-LJQANCHMSA-N 2 2 378.605 3.547 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000549401700 838627171 /nfs/dbraw/zinc/62/71/71/838627171.db2.gz VCHBCKIMNQZVIW-WIYYLYMNSA-N 2 2 381.568 3.971 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000549401700 838627176 /nfs/dbraw/zinc/62/71/76/838627176.db2.gz VCHBCKIMNQZVIW-WIYYLYMNSA-N 2 2 381.568 3.971 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000549401700 838627178 /nfs/dbraw/zinc/62/71/78/838627178.db2.gz VCHBCKIMNQZVIW-WIYYLYMNSA-N 2 2 381.568 3.971 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000549401700 838627182 /nfs/dbraw/zinc/62/71/82/838627182.db2.gz VCHBCKIMNQZVIW-WIYYLYMNSA-N 2 2 381.568 3.971 20 0 GHADLP CCC(CC)(CNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000651338776 838643026 /nfs/dbraw/zinc/64/30/26/838643026.db2.gz OLWKYKLGCVMSIV-SFHVURJKSA-N 2 2 382.552 3.788 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000181078602 838714046 /nfs/dbraw/zinc/71/40/46/838714046.db2.gz OXIWQZCFXRQMEQ-UHFFFAOYSA-N 2 2 375.270 3.823 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000181078602 838714055 /nfs/dbraw/zinc/71/40/55/838714055.db2.gz OXIWQZCFXRQMEQ-UHFFFAOYSA-N 2 2 375.270 3.823 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000549409502 838754035 /nfs/dbraw/zinc/75/40/35/838754035.db2.gz ZGFRSBYKBAIHIN-JOCHJYFZSA-N 2 2 389.547 3.838 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000549409502 838754043 /nfs/dbraw/zinc/75/40/43/838754043.db2.gz ZGFRSBYKBAIHIN-JOCHJYFZSA-N 2 2 389.547 3.838 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549409502 838754050 /nfs/dbraw/zinc/75/40/50/838754050.db2.gz ZGFRSBYKBAIHIN-JOCHJYFZSA-N 2 2 389.547 3.838 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549409502 838754059 /nfs/dbraw/zinc/75/40/59/838754059.db2.gz ZGFRSBYKBAIHIN-JOCHJYFZSA-N 2 2 389.547 3.838 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCN1Cc1ccccc1 ZINC000580073538 838808742 /nfs/dbraw/zinc/80/87/42/838808742.db2.gz NKVVDNIEFUQIRB-DHIUTWEWSA-N 2 2 389.543 3.574 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCN1Cc1ccccc1 ZINC000580073538 838808753 /nfs/dbraw/zinc/80/87/53/838808753.db2.gz NKVVDNIEFUQIRB-DHIUTWEWSA-N 2 2 389.543 3.574 20 0 GHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000415044252 839110302 /nfs/dbraw/zinc/11/03/02/839110302.db2.gz BOBMNNWMDRSGIE-RDTXWAMCSA-N 2 2 389.927 3.918 20 0 GHADLP C[NH+](C)Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)cc1 ZINC000472695255 839177043 /nfs/dbraw/zinc/17/70/43/839177043.db2.gz YFROTLZTFRZHBU-UHFFFAOYSA-N 2 2 381.501 3.539 20 0 GHADLP C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378491793 839215982 /nfs/dbraw/zinc/21/59/82/839215982.db2.gz GWHNWDLALJIAPJ-AUSIDOKSSA-N 2 2 388.515 3.572 20 0 GHADLP C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378491793 839215991 /nfs/dbraw/zinc/21/59/91/839215991.db2.gz GWHNWDLALJIAPJ-AUSIDOKSSA-N 2 2 388.515 3.572 20 0 GHADLP [NH3+]CCC[C@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccccc1 ZINC000415156965 839297727 /nfs/dbraw/zinc/29/77/27/839297727.db2.gz NEWIKFZSSOXVKR-IBGZPJMESA-N 2 2 393.491 3.564 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(OC)c1OC ZINC000580378465 839429855 /nfs/dbraw/zinc/42/98/55/839429855.db2.gz LIGBFHLVVKAOEU-DEOSSOPVSA-N 2 2 396.531 3.810 20 0 GHADLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(OC)c1OC ZINC000580378465 839429859 /nfs/dbraw/zinc/42/98/59/839429859.db2.gz LIGBFHLVVKAOEU-DEOSSOPVSA-N 2 2 396.531 3.810 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(OC)c1OC ZINC000580378465 839429864 /nfs/dbraw/zinc/42/98/64/839429864.db2.gz LIGBFHLVVKAOEU-DEOSSOPVSA-N 2 2 396.531 3.810 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc(OC)c1OC ZINC000580378465 839429873 /nfs/dbraw/zinc/42/98/73/839429873.db2.gz LIGBFHLVVKAOEU-DEOSSOPVSA-N 2 2 396.531 3.810 20 0 GHADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000580463156 839602750 /nfs/dbraw/zinc/60/27/50/839602750.db2.gz GFXGALHUJYLPBO-FQEVSTJZSA-N 2 2 390.531 3.749 20 0 GHADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000580463156 839602761 /nfs/dbraw/zinc/60/27/61/839602761.db2.gz GFXGALHUJYLPBO-FQEVSTJZSA-N 2 2 390.531 3.749 20 0 GHADLP Cc1c(O)ccc2c(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cc(=O)oc12 ZINC000783031665 839665313 /nfs/dbraw/zinc/66/53/13/839665313.db2.gz UTNPUVOKFDZVPR-UHFFFAOYSA-N 2 2 381.476 3.696 20 0 GHADLP C[C@@H](CCNC(=O)NCc1ccccc1-n1cc[nH+]c1)[N@H+](C)Cc1ccccc1 ZINC000473010144 840109845 /nfs/dbraw/zinc/10/98/45/840109845.db2.gz OAKTZNLBQFLPQW-IBGZPJMESA-N 2 2 391.519 3.582 20 0 GHADLP C[C@@H](CCNC(=O)NCc1ccccc1-n1cc[nH+]c1)[N@@H+](C)Cc1ccccc1 ZINC000473010144 840109846 /nfs/dbraw/zinc/10/98/46/840109846.db2.gz OAKTZNLBQFLPQW-IBGZPJMESA-N 2 2 391.519 3.582 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)C2)cc1 ZINC000500402003 840384950 /nfs/dbraw/zinc/38/49/50/840384950.db2.gz YLAAVLLKVAFTGB-YFNKSVMNSA-N 2 2 379.548 3.989 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)C2)cc1 ZINC000500402003 840384960 /nfs/dbraw/zinc/38/49/60/840384960.db2.gz YLAAVLLKVAFTGB-YFNKSVMNSA-N 2 2 379.548 3.989 20 0 GHADLP C[C@H](c1nc2ccccc2o1)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511809743 840823649 /nfs/dbraw/zinc/82/36/49/840823649.db2.gz MLKZWCFJDSSRLU-LJQANCHMSA-N 2 2 378.520 3.638 20 0 GHADLP C[C@H](c1nc2ccccc2o1)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511809743 840823652 /nfs/dbraw/zinc/82/36/52/840823652.db2.gz MLKZWCFJDSSRLU-LJQANCHMSA-N 2 2 378.520 3.638 20 0 GHADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000584802746 840915239 /nfs/dbraw/zinc/91/52/39/840915239.db2.gz JMJBOQARARQOFH-BLLLJJGKSA-N 2 2 375.351 3.546 20 0 GHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000430542161 840944891 /nfs/dbraw/zinc/94/48/91/840944891.db2.gz CJZWJCWHSDMMLF-SRVKXCTJSA-N 2 2 377.838 3.745 20 0 GHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000430542161 840944901 /nfs/dbraw/zinc/94/49/01/840944901.db2.gz CJZWJCWHSDMMLF-SRVKXCTJSA-N 2 2 377.838 3.745 20 0 GHADLP CN(C(=O)[C@H]1CCc2ccccc2C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000584843674 841055809 /nfs/dbraw/zinc/05/58/09/841055809.db2.gz SCBLKHWJKJGBNW-QPTUXGOLSA-N 2 2 397.607 3.587 20 0 GHADLP CN(C(=O)[C@H]1CCc2ccccc2C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000584843674 841055817 /nfs/dbraw/zinc/05/58/17/841055817.db2.gz SCBLKHWJKJGBNW-QPTUXGOLSA-N 2 2 397.607 3.587 20 0 GHADLP CN(C(=O)[C@@H]1CCc2ccccc2C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000584843669 841055930 /nfs/dbraw/zinc/05/59/30/841055930.db2.gz SCBLKHWJKJGBNW-GMKZXUHWSA-N 2 2 397.607 3.587 20 0 GHADLP CN(C(=O)[C@@H]1CCc2ccccc2C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000584843669 841055942 /nfs/dbraw/zinc/05/59/42/841055942.db2.gz SCBLKHWJKJGBNW-GMKZXUHWSA-N 2 2 397.607 3.587 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1cccc2ccccc21 ZINC000660654777 841069469 /nfs/dbraw/zinc/06/94/69/841069469.db2.gz CUQNOKXSXGMDEN-JXQFQVJHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1cccc2ccccc21 ZINC000660654777 841069480 /nfs/dbraw/zinc/06/94/80/841069480.db2.gz CUQNOKXSXGMDEN-JXQFQVJHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)c1cccc2ccccc21 ZINC000660654777 841069487 /nfs/dbraw/zinc/06/94/87/841069487.db2.gz CUQNOKXSXGMDEN-JXQFQVJHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1cccc2ccccc21 ZINC000660654777 841069495 /nfs/dbraw/zinc/06/94/95/841069495.db2.gz CUQNOKXSXGMDEN-JXQFQVJHSA-N 2 2 379.548 3.823 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(F)cc1I)CCC2 ZINC000417949327 841309238 /nfs/dbraw/zinc/30/92/38/841309238.db2.gz WEDNRJJFYCJHQF-CYBMUJFWSA-N 2 2 399.251 3.602 20 0 GHADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430598074 841359855 /nfs/dbraw/zinc/35/98/55/841359855.db2.gz NPIFWTKZCSTXIK-NSHGMRRFSA-N 2 2 381.520 3.652 20 0 GHADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430598074 841359867 /nfs/dbraw/zinc/35/98/67/841359867.db2.gz NPIFWTKZCSTXIK-NSHGMRRFSA-N 2 2 381.520 3.652 20 0 GHADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc2ccccc21 ZINC000364280033 841585902 /nfs/dbraw/zinc/58/59/02/841585902.db2.gz GYNVAWDWUGYWNH-GHTZIAJQSA-N 2 2 394.563 3.711 20 0 GHADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc2ccccc21 ZINC000364280033 841585910 /nfs/dbraw/zinc/58/59/10/841585910.db2.gz GYNVAWDWUGYWNH-GHTZIAJQSA-N 2 2 394.563 3.711 20 0 GHADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430661940 842250388 /nfs/dbraw/zinc/25/03/88/842250388.db2.gz GVJDLHATALTHLH-KSSFIOAISA-N 2 2 384.351 3.588 20 0 GHADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430661940 842250395 /nfs/dbraw/zinc/25/03/95/842250395.db2.gz GVJDLHATALTHLH-KSSFIOAISA-N 2 2 384.351 3.588 20 0 GHADLP O=C1[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCN1C1CCCCC1 ZINC000647193269 842501216 /nfs/dbraw/zinc/50/12/16/842501216.db2.gz SGBIWEATAINELA-UNMCSNQZSA-N 2 2 381.564 3.707 20 0 GHADLP O=C1[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCN1C1CCCCC1 ZINC000647193269 842501218 /nfs/dbraw/zinc/50/12/18/842501218.db2.gz SGBIWEATAINELA-UNMCSNQZSA-N 2 2 381.564 3.707 20 0 GHADLP FC(F)(F)c1ccc(-n2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cn2)cc1 ZINC000512117752 842549990 /nfs/dbraw/zinc/54/99/90/842549990.db2.gz ZNEIGQZHGPJIEB-UHFFFAOYSA-N 2 2 378.442 3.855 20 0 GHADLP Brc1cc2c(cc1C[NH+]1CCC(c3[nH]cc[nH+]3)CC1)OCCCO2 ZINC000329366778 861332564 /nfs/dbraw/zinc/33/25/64/861332564.db2.gz KPZKYZYYONEFCI-UHFFFAOYSA-N 2 2 392.297 3.713 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000057613324 842713909 /nfs/dbraw/zinc/71/39/09/842713909.db2.gz GMERAEIVPSVDOM-CALCHBBNSA-N 2 2 390.572 3.607 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000057613324 842713913 /nfs/dbraw/zinc/71/39/13/842713913.db2.gz GMERAEIVPSVDOM-CALCHBBNSA-N 2 2 390.572 3.607 20 0 GHADLP C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000512191975 842885424 /nfs/dbraw/zinc/88/54/24/842885424.db2.gz CCMOLLXHOMAKQH-IRLDBZIGSA-N 2 2 392.547 3.594 20 0 GHADLP C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000512191975 842885434 /nfs/dbraw/zinc/88/54/34/842885434.db2.gz CCMOLLXHOMAKQH-IRLDBZIGSA-N 2 2 392.547 3.594 20 0 GHADLP FC(F)(F)c1ccccc1[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662280312 843061766 /nfs/dbraw/zinc/06/17/66/843061766.db2.gz NZHLLDHMKKYZGG-HXUWFJFHSA-N 2 2 376.422 3.925 20 0 GHADLP FC(F)(F)c1ccccc1[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662280312 843061778 /nfs/dbraw/zinc/06/17/78/843061778.db2.gz NZHLLDHMKKYZGG-HXUWFJFHSA-N 2 2 376.422 3.925 20 0 GHADLP COc1cc2cc[nH+]c(NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)c2cc1OC ZINC000663323177 843130652 /nfs/dbraw/zinc/13/06/52/843130652.db2.gz QGWGRDFEXVEHOZ-LJQANCHMSA-N 2 2 393.487 3.565 20 0 GHADLP COc1cc2cc[nH+]c(NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)c2cc1OC ZINC000663323177 843130661 /nfs/dbraw/zinc/13/06/61/843130661.db2.gz QGWGRDFEXVEHOZ-LJQANCHMSA-N 2 2 393.487 3.565 20 0 GHADLP CN(C(=O)Nc1cc(Cl)ccn1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000500442143 843359026 /nfs/dbraw/zinc/35/90/26/843359026.db2.gz PMIALRZSMGGJOO-ROUUACIJSA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1cc(Cl)ccn1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000500442143 843359037 /nfs/dbraw/zinc/35/90/37/843359037.db2.gz PMIALRZSMGGJOO-ROUUACIJSA-N 2 2 393.963 3.536 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614000398 843380502 /nfs/dbraw/zinc/38/05/02/843380502.db2.gz MBKLMECDDCALKW-OAQYLSRUSA-N 2 2 382.552 3.564 20 0 GHADLP [NH3+][C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(F)cc1F ZINC000662664358 843501914 /nfs/dbraw/zinc/50/19/14/843501914.db2.gz SBQVOFXKTFTPSU-RBUKOAKNSA-N 2 2 393.865 3.571 20 0 GHADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cc2c(s1)CC[NH2+]C2 ZINC000662691247 843527099 /nfs/dbraw/zinc/52/70/99/843527099.db2.gz HYGWJBBSCVQQBE-UHFFFAOYSA-N 2 2 378.501 3.846 20 0 GHADLP CN(C(=O)c1coc(C(F)F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000626262180 843555888 /nfs/dbraw/zinc/55/58/88/843555888.db2.gz XUSUESYARBSMDV-SJORKVTESA-N 2 2 383.483 3.626 20 0 GHADLP CN(C(=O)c1coc(C(F)F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000626262180 843555894 /nfs/dbraw/zinc/55/58/94/843555894.db2.gz XUSUESYARBSMDV-SJORKVTESA-N 2 2 383.483 3.626 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(C(F)(F)F)s3)CC2)CC1 ZINC000432732243 843616889 /nfs/dbraw/zinc/61/68/89/843616889.db2.gz WNCKYNLHKANLMW-UHFFFAOYSA-N 2 2 375.504 3.757 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC001167820582 843686174 /nfs/dbraw/zinc/68/61/74/843686174.db2.gz USUATTUFKZVIRN-JOCHJYFZSA-N 2 2 397.950 3.848 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC001167820582 843686180 /nfs/dbraw/zinc/68/61/80/843686180.db2.gz USUATTUFKZVIRN-JOCHJYFZSA-N 2 2 397.950 3.848 20 0 GHADLP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000419294171 843916715 /nfs/dbraw/zinc/91/67/15/843916715.db2.gz ONTSYFXIVYCJCE-SFHVURJKSA-N 2 2 382.335 3.705 20 0 GHADLP Cc1ccc(C)c(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535851837 844793700 /nfs/dbraw/zinc/79/37/00/844793700.db2.gz SDNRKABWDQLJAB-GOTSBHOMSA-N 2 2 385.596 3.642 20 0 GHADLP Cc1ccc(C)c(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535851837 844793705 /nfs/dbraw/zinc/79/37/05/844793705.db2.gz SDNRKABWDQLJAB-GOTSBHOMSA-N 2 2 385.596 3.642 20 0 GHADLP Cc1cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)ccc1C[NH+](C)C ZINC000458283817 844807809 /nfs/dbraw/zinc/80/78/09/844807809.db2.gz MOJQWWGNLTWXII-NRFANRHFSA-N 2 2 383.561 3.785 20 0 GHADLP CCn1c(C)cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000535850711 844812917 /nfs/dbraw/zinc/81/29/17/844812917.db2.gz LGXVEGUCABQQBM-YADHBBJMSA-N 2 2 388.600 3.534 20 0 GHADLP CCn1c(C)cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000535850711 844812923 /nfs/dbraw/zinc/81/29/23/844812923.db2.gz LGXVEGUCABQQBM-YADHBBJMSA-N 2 2 388.600 3.534 20 0 GHADLP O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411374090 845361838 /nfs/dbraw/zinc/36/18/38/845361838.db2.gz BOHYLAPRQQKIDI-LJQANCHMSA-N 2 2 384.549 3.732 20 0 GHADLP O=C(Nc1nccs1)[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411374090 845361847 /nfs/dbraw/zinc/36/18/47/845361847.db2.gz BOHYLAPRQQKIDI-LJQANCHMSA-N 2 2 384.549 3.732 20 0 GHADLP Brc1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)oc1Br ZINC001204735173 845555836 /nfs/dbraw/zinc/55/58/36/845555836.db2.gz MSJLZQVTLMOKHH-UHFFFAOYSA-N 2 2 392.135 3.770 20 0 GHADLP Brc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)oc1Br ZINC001204735173 845555845 /nfs/dbraw/zinc/55/58/45/845555845.db2.gz MSJLZQVTLMOKHH-UHFFFAOYSA-N 2 2 392.135 3.770 20 0 GHADLP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000472087254 845782157 /nfs/dbraw/zinc/78/21/57/845782157.db2.gz QUOHOSCVZHZOHT-JOCHJYFZSA-N 2 2 397.567 3.759 20 0 GHADLP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(C)c1OC ZINC000513691993 846363306 /nfs/dbraw/zinc/36/33/06/846363306.db2.gz XIKYDQUFLIORAA-QGZVFWFLSA-N 2 2 379.504 3.978 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cnn(C2CCCC2)c1 ZINC000502710480 846382993 /nfs/dbraw/zinc/38/29/93/846382993.db2.gz WPNURSCUJWTRMZ-LJQANCHMSA-N 2 2 381.568 3.596 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccsc1 ZINC000673768177 861682204 /nfs/dbraw/zinc/68/22/04/861682204.db2.gz AODGMTWPNAPWRF-LJQANCHMSA-N 2 2 399.564 3.629 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000502839195 846509591 /nfs/dbraw/zinc/50/95/91/846509591.db2.gz DDWMLKVAHVWTPE-SNMYMPMCSA-N 2 2 398.595 3.682 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000502839195 846509597 /nfs/dbraw/zinc/50/95/97/846509597.db2.gz DDWMLKVAHVWTPE-SNMYMPMCSA-N 2 2 398.595 3.682 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000502907293 846601298 /nfs/dbraw/zinc/60/12/98/846601298.db2.gz YFWLREFLIYSKEY-QGZVFWFLSA-N 2 2 391.519 3.768 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000502907293 846601303 /nfs/dbraw/zinc/60/13/03/846601303.db2.gz YFWLREFLIYSKEY-QGZVFWFLSA-N 2 2 391.519 3.768 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc4c5c(cccc53)CC4)CC2)CC1 ZINC000422004891 846744178 /nfs/dbraw/zinc/74/41/78/846744178.db2.gz HVQXPENMBDUUCU-UHFFFAOYSA-N 2 2 391.559 3.571 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc4c5c(cccc53)CC4)CC2)CC1 ZINC000422004891 846744188 /nfs/dbraw/zinc/74/41/88/846744188.db2.gz HVQXPENMBDUUCU-UHFFFAOYSA-N 2 2 391.559 3.571 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]34)CC2)CC1 ZINC000422026195 846756821 /nfs/dbraw/zinc/75/68/21/846756821.db2.gz UJLCAPHDNLLWRT-ILWGZMRPSA-N 2 2 375.601 3.612 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]34)CC2)CC1 ZINC000422026195 846756827 /nfs/dbraw/zinc/75/68/27/846756827.db2.gz UJLCAPHDNLLWRT-ILWGZMRPSA-N 2 2 375.601 3.612 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3c4ccccc4CC[C@H]3C)CC2)CC1 ZINC000422178511 846875962 /nfs/dbraw/zinc/87/59/62/846875962.db2.gz JRIGVTSHWIIQEG-AUSIDOKSSA-N 2 2 398.595 3.512 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3c4ccccc4CC[C@H]3C)CC2)CC1 ZINC000422178511 846875968 /nfs/dbraw/zinc/87/59/68/846875968.db2.gz JRIGVTSHWIIQEG-AUSIDOKSSA-N 2 2 398.595 3.512 20 0 GHADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000501375975 846878784 /nfs/dbraw/zinc/87/87/84/846878784.db2.gz DDXQMZBYSYYVQN-NZQKXSOJSA-N 2 2 395.547 3.609 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(I)cc2Cl)CC[N@@H+]1C ZINC000501470225 846942714 /nfs/dbraw/zinc/94/27/14/846942714.db2.gz XBOOHYJQZIHCIN-GXFFZTMASA-N 2 2 378.685 3.517 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(I)cc2Cl)CC[N@H+]1C ZINC000501470225 846942722 /nfs/dbraw/zinc/94/27/22/846942722.db2.gz XBOOHYJQZIHCIN-GXFFZTMASA-N 2 2 378.685 3.517 20 0 GHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[NH2+]C[C@](C)(F)C2)n1 ZINC000420260749 847076423 /nfs/dbraw/zinc/07/64/23/847076423.db2.gz JLZBIUFMVAYULJ-NRFANRHFSA-N 2 2 399.539 3.558 20 0 GHADLP COc1cccc(N2CC[C@H](C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)C2)c1 ZINC000272500023 847092672 /nfs/dbraw/zinc/09/26/72/847092672.db2.gz DPCKPJCDABIYCU-MRXNPFEDSA-N 2 2 385.474 3.528 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000277598620 847235293 /nfs/dbraw/zinc/23/52/93/847235293.db2.gz PUNJAMSXWLHYHF-UHFFFAOYSA-N 2 2 382.552 3.984 20 0 GHADLP Cc1cc(CNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc(C)[nH+]1 ZINC000420855324 847489611 /nfs/dbraw/zinc/48/96/11/847489611.db2.gz WHKXXBAUZPQDQJ-UHFFFAOYSA-N 2 2 392.547 3.896 20 0 GHADLP Cc1cc(CNC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000420855778 847490561 /nfs/dbraw/zinc/49/05/61/847490561.db2.gz XBAARPVGNNLMQO-TZIWHRDSSA-N 2 2 380.536 3.798 20 0 GHADLP Cc1cc(CNC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000420855778 847490568 /nfs/dbraw/zinc/49/05/68/847490568.db2.gz XBAARPVGNNLMQO-TZIWHRDSSA-N 2 2 380.536 3.798 20 0 GHADLP c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420897578 847516857 /nfs/dbraw/zinc/51/68/57/847516857.db2.gz BBQKRZKEAJTMCR-DEOSSOPVSA-N 3 2 385.596 3.607 20 0 GHADLP c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420897578 847516864 /nfs/dbraw/zinc/51/68/64/847516864.db2.gz BBQKRZKEAJTMCR-DEOSSOPVSA-N 3 2 385.596 3.607 20 0 GHADLP C[C@@H]1CC([NH+]2CC3(CN(C(=O)OC(C)(C)C)C3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168044879 861803621 /nfs/dbraw/zinc/80/36/21/861803621.db2.gz HEASHRCUGWJDFC-RTBURBONSA-N 2 2 399.579 3.981 20 0 GHADLP Fc1ccc(OC2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000420917384 847563132 /nfs/dbraw/zinc/56/31/32/847563132.db2.gz RGTWAEQYMHREIS-UHFFFAOYSA-N 2 2 384.495 3.701 20 0 GHADLP Cc1ccc(-c2ncc(C[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)s2)cc1 ZINC000607366300 847612250 /nfs/dbraw/zinc/61/22/50/847612250.db2.gz HFWAVXAIFHHMHB-HSZRJFAPSA-N 2 2 393.556 3.845 20 0 GHADLP Cc1ccc(-c2ncc(C[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)s2)cc1 ZINC000607366300 847612261 /nfs/dbraw/zinc/61/22/61/847612261.db2.gz HFWAVXAIFHHMHB-HSZRJFAPSA-N 2 2 393.556 3.845 20 0 GHADLP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000503414573 847679747 /nfs/dbraw/zinc/67/97/47/847679747.db2.gz FPDQBXARZAHGBV-RBBKRZOGSA-N 2 2 397.563 3.764 20 0 GHADLP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000503414573 847679754 /nfs/dbraw/zinc/67/97/54/847679754.db2.gz FPDQBXARZAHGBV-RBBKRZOGSA-N 2 2 397.563 3.764 20 0 GHADLP CCc1ccc(CC)c(NC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000421066100 847680517 /nfs/dbraw/zinc/68/05/17/847680517.db2.gz KWJODWIOYSDZOO-UHFFFAOYSA-N 2 2 386.584 3.835 20 0 GHADLP CCc1ccc(CC)c(NC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000421066100 847680522 /nfs/dbraw/zinc/68/05/22/847680522.db2.gz KWJODWIOYSDZOO-UHFFFAOYSA-N 2 2 386.584 3.835 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1)C(C)C ZINC000119944515 847702909 /nfs/dbraw/zinc/70/29/09/847702909.db2.gz YTXLYRJPTMJXFB-HXUWFJFHSA-N 2 2 382.552 3.745 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1)C(C)C ZINC000119944515 847702912 /nfs/dbraw/zinc/70/29/12/847702912.db2.gz YTXLYRJPTMJXFB-HXUWFJFHSA-N 2 2 382.552 3.745 20 0 GHADLP Brc1ccn2cc(C[NH2+]CCC[N@@H+]3CCc4ccccc4C3)nc2c1 ZINC000582815036 848455189 /nfs/dbraw/zinc/45/51/89/848455189.db2.gz YNYUNRHFXKBHJF-UHFFFAOYSA-N 2 2 399.336 3.635 20 0 GHADLP Brc1ccn2cc(C[NH2+]CCC[N@H+]3CCc4ccccc4C3)nc2c1 ZINC000582815036 848455195 /nfs/dbraw/zinc/45/51/95/848455195.db2.gz YNYUNRHFXKBHJF-UHFFFAOYSA-N 2 2 399.336 3.635 20 0 GHADLP CCc1ccc([C@H]([NH2+]CCC[NH2+]C(C)C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000582958567 848769314 /nfs/dbraw/zinc/76/93/14/848769314.db2.gz BIGCAINEZWAGNL-QFIPXVFZSA-N 2 2 388.577 3.720 20 0 GHADLP CC(C)C[C@H](CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000535933470 849088737 /nfs/dbraw/zinc/08/87/37/849088737.db2.gz ZPFFWNGKHZYKST-HLAWJBBLSA-N 2 2 397.567 3.685 20 0 GHADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000535985533 849517033 /nfs/dbraw/zinc/51/70/33/849517033.db2.gz XHNSUTXHCBOJJM-NRFANRHFSA-N 2 2 397.567 3.741 20 0 GHADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000535985533 849517043 /nfs/dbraw/zinc/51/70/43/849517043.db2.gz XHNSUTXHCBOJJM-NRFANRHFSA-N 2 2 397.567 3.741 20 0 GHADLP Cc1ccc(-n2cc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c(C(C)(C)C)n2)cc1 ZINC000657750667 849594899 /nfs/dbraw/zinc/59/48/99/849594899.db2.gz LGHWTHRPQMIMLU-QFIPXVFZSA-N 2 2 396.579 3.821 20 0 GHADLP C[C@@H](CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000425179031 849749758 /nfs/dbraw/zinc/74/97/58/849749758.db2.gz SYQBVQNAYRJZET-GHTZIAJQSA-N 2 2 376.504 3.568 20 0 GHADLP C[C@@H](CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000425179031 849749761 /nfs/dbraw/zinc/74/97/61/849749761.db2.gz SYQBVQNAYRJZET-GHTZIAJQSA-N 2 2 376.504 3.568 20 0 GHADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000434796415 849769106 /nfs/dbraw/zinc/76/91/06/849769106.db2.gz QITAXNYTEMIVSU-UHFFFAOYSA-N 2 2 382.533 3.644 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000150959856 849781781 /nfs/dbraw/zinc/78/17/81/849781781.db2.gz IUTCBNAVGDDIAT-RTBURBONSA-N 2 2 388.515 3.759 20 0 GHADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000423346637 849863991 /nfs/dbraw/zinc/86/39/91/849863991.db2.gz ZAUQPIDXTHYAJS-JWNTYJGQSA-N 2 2 395.547 3.710 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000423368063 849889161 /nfs/dbraw/zinc/88/91/61/849889161.db2.gz MZBMVBAFDRQNQB-OHEPNIRZSA-N 2 2 390.474 3.786 20 0 GHADLP CC[C@H](C)[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000514735277 850238056 /nfs/dbraw/zinc/23/80/56/850238056.db2.gz YSGJGIAQEXTMSX-FDDCHVKYSA-N 2 2 396.579 3.714 20 0 GHADLP COc1ccc([C@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)N(C)C)cc1OC ZINC000180379698 862110304 /nfs/dbraw/zinc/11/03/04/862110304.db2.gz YKQANHOMKPMIFG-UTKZUKDTSA-N 2 2 394.519 3.843 20 0 GHADLP CCOc1cc2[nH+]ccc(NC[C@H]3CCCn4cc(C)[nH+]c43)c2cc1OCC ZINC000443893637 862111719 /nfs/dbraw/zinc/11/17/19/862111719.db2.gz FMJHYOHGIWKYLC-MRXNPFEDSA-N 2 2 380.492 3.949 20 0 GHADLP C[NH+](C)C[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000514828141 850333699 /nfs/dbraw/zinc/33/36/99/850333699.db2.gz MLMQWTMRDUKVJW-GOSISDBHSA-N 2 2 382.895 3.601 20 0 GHADLP C[NH2+]CCC1CC[NH+](Cc2csc(N(C(C)=O)c3ccc(F)cc3)n2)CC1 ZINC000435382109 850448724 /nfs/dbraw/zinc/44/87/24/850448724.db2.gz ZQHMEAUMYURUFY-UHFFFAOYSA-N 2 2 390.528 3.788 20 0 GHADLP CC[N@H+](Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000435390792 850456751 /nfs/dbraw/zinc/45/67/51/850456751.db2.gz QJTDYDMLIFITIZ-MRXNPFEDSA-N 2 2 377.330 3.803 20 0 GHADLP CC[N@@H+](Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000435390792 850456760 /nfs/dbraw/zinc/45/67/60/850456760.db2.gz QJTDYDMLIFITIZ-MRXNPFEDSA-N 2 2 377.330 3.803 20 0 GHADLP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ncc(Br)cc2Br)cc1 ZINC000414816615 850727358 /nfs/dbraw/zinc/72/73/58/850727358.db2.gz QFFLSNMKHJOEFP-SNVBAGLBSA-N 2 2 399.130 3.916 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000514145897 851291429 /nfs/dbraw/zinc/29/14/29/851291429.db2.gz QQNLGOCGCNIAHK-JOCHJYFZSA-N 2 2 391.519 3.755 20 0 GHADLP CCc1ccc(CN(C)C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434678630 851446977 /nfs/dbraw/zinc/44/69/77/851446977.db2.gz IUFZDOGUKQUGEI-UHFFFAOYSA-N 2 2 394.563 3.620 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688691 851479233 /nfs/dbraw/zinc/47/92/33/851479233.db2.gz OTOIBNPJXXOKIS-KRWDZBQOSA-N 2 2 398.526 3.758 20 0 GHADLP COc1cccc2c(N3CCC([NH2+]CCOc4ccccc4)CC3)cc[nH+]c12 ZINC000436439269 851622813 /nfs/dbraw/zinc/62/28/13/851622813.db2.gz LYEMJVHTOFUOSK-UHFFFAOYSA-N 2 2 377.488 3.881 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000894583031 851747147 /nfs/dbraw/zinc/74/71/47/851747147.db2.gz ZFRKDEJBLNGJHN-OAHLLOKOSA-N 2 2 399.482 3.782 20 0 GHADLP Cc1cc(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000664837814 851876639 /nfs/dbraw/zinc/87/66/39/851876639.db2.gz JRKZZIMVSPOXKP-QFIPXVFZSA-N 2 2 396.535 3.544 20 0 GHADLP Cc1cc(NC(=O)C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000664837814 851876644 /nfs/dbraw/zinc/87/66/44/851876644.db2.gz JRKZZIMVSPOXKP-QFIPXVFZSA-N 2 2 396.535 3.544 20 0 GHADLP CC(C)(C)OC(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)n1 ZINC001167978725 851948716 /nfs/dbraw/zinc/94/87/16/851948716.db2.gz RQYGKRWEPNECGT-YQQQUEKLSA-N 2 2 386.540 3.924 20 0 GHADLP CC(C)(C)OC(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)n1 ZINC001167978725 851948719 /nfs/dbraw/zinc/94/87/19/851948719.db2.gz RQYGKRWEPNECGT-YQQQUEKLSA-N 2 2 386.540 3.924 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000436472427 851958060 /nfs/dbraw/zinc/95/80/60/851958060.db2.gz XRVJAZFAPBRHOW-WOJBJXKFSA-N 2 2 394.563 3.622 20 0 GHADLP CN(C(=O)c1cc(F)ccc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489148865 852067616 /nfs/dbraw/zinc/06/76/16/852067616.db2.gz QOJBJSYBGWBNAI-WOJBJXKFSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1cc(F)ccc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489148865 852067620 /nfs/dbraw/zinc/06/76/20/852067620.db2.gz QOJBJSYBGWBNAI-WOJBJXKFSA-N 2 2 395.950 3.888 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCC(C)(C)c4ccccc43)CC2)CC1 ZINC000102009651 852088013 /nfs/dbraw/zinc/08/80/13/852088013.db2.gz UZKMDGCUANGUAL-QFIPXVFZSA-N 2 2 398.595 3.657 20 0 GHADLP Cc1ccc2cc(CNc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)ccc2n1 ZINC000438187023 852118831 /nfs/dbraw/zinc/11/88/31/852118831.db2.gz HYNLCRFKPHWPGU-UHFFFAOYSA-N 2 2 375.520 3.503 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414889576 852217801 /nfs/dbraw/zinc/21/78/01/852217801.db2.gz YNDXZOCFJBGYDR-UHFFFAOYSA-N 2 2 383.927 3.807 20 0 GHADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC000489536606 852427201 /nfs/dbraw/zinc/42/72/01/852427201.db2.gz JWQHSXYKYCJJPT-UHFFFAOYSA-N 2 2 391.519 3.819 20 0 GHADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC000489536606 852427204 /nfs/dbraw/zinc/42/72/04/852427204.db2.gz JWQHSXYKYCJJPT-UHFFFAOYSA-N 2 2 391.519 3.819 20 0 GHADLP CC(C)[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1Cl ZINC000604656232 862372679 /nfs/dbraw/zinc/37/26/79/862372679.db2.gz IKKYBKNUPCKBBP-UZLBHIALSA-N 2 2 392.975 3.505 20 0 GHADLP CC(C)[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1Cl ZINC000604656232 862372695 /nfs/dbraw/zinc/37/26/95/862372695.db2.gz IKKYBKNUPCKBBP-UZLBHIALSA-N 2 2 392.975 3.505 20 0 GHADLP C/C(=C/c1ccccc1)CN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000426119193 852753116 /nfs/dbraw/zinc/75/31/16/852753116.db2.gz XCMUKKSCZGMNLW-UZYVYHOESA-N 2 2 398.595 3.682 20 0 GHADLP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000439037348 853212993 /nfs/dbraw/zinc/21/29/93/853212993.db2.gz ZGLBYLCLEKWIDD-SFHVURJKSA-N 2 2 381.524 3.834 20 0 GHADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059831 853432091 /nfs/dbraw/zinc/43/20/91/853432091.db2.gz JKRTWQVXOFRQKQ-SFTDATJTSA-N 2 2 383.580 3.548 20 0 GHADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059831 853432098 /nfs/dbraw/zinc/43/20/98/853432098.db2.gz JKRTWQVXOFRQKQ-SFTDATJTSA-N 2 2 383.580 3.548 20 0 GHADLP Cc1cscc1CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000426364947 853595063 /nfs/dbraw/zinc/59/50/63/853595063.db2.gz KBWOVCRMXBRUMN-UXHICEINSA-N 2 2 392.613 3.535 20 0 GHADLP Cc1cscc1CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000426364947 853595069 /nfs/dbraw/zinc/59/50/69/853595069.db2.gz KBWOVCRMXBRUMN-UXHICEINSA-N 2 2 392.613 3.535 20 0 GHADLP Cc1ccc([C@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)[NH+](C)C)cc1 ZINC000519921664 853621705 /nfs/dbraw/zinc/62/17/05/853621705.db2.gz MZVQEECDBBQIJL-VXKWHMMOSA-N 2 2 397.588 3.504 20 0 GHADLP CC[NH+]1CCC(CCNC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000440877683 853707339 /nfs/dbraw/zinc/70/73/39/853707339.db2.gz UCEDKHIQEHBNAV-JOCHJYFZSA-N 2 2 397.567 3.662 20 0 GHADLP C[C@@](CO)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(C(F)(F)F)c1 ZINC000604767261 862506072 /nfs/dbraw/zinc/50/60/72/862506072.db2.gz GZBRVJKYYWXTBC-IBGZPJMESA-N 2 2 375.394 3.888 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441368446 854151158 /nfs/dbraw/zinc/15/11/58/854151158.db2.gz BEMMHIVLQVEXMQ-JKSUJKDBSA-N 2 2 383.939 3.632 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441368446 854151163 /nfs/dbraw/zinc/15/11/63/854151163.db2.gz BEMMHIVLQVEXMQ-JKSUJKDBSA-N 2 2 383.939 3.632 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441368446 854151167 /nfs/dbraw/zinc/15/11/67/854151167.db2.gz BEMMHIVLQVEXMQ-JKSUJKDBSA-N 2 2 383.939 3.632 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441368446 854151170 /nfs/dbraw/zinc/15/11/70/854151170.db2.gz BEMMHIVLQVEXMQ-JKSUJKDBSA-N 2 2 383.939 3.632 20 0 GHADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000441394394 854177330 /nfs/dbraw/zinc/17/73/30/854177330.db2.gz OYTBFQAYMISQQU-PWWKTKHKSA-N 2 2 395.591 3.983 20 0 GHADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000441394394 854177336 /nfs/dbraw/zinc/17/73/36/854177336.db2.gz OYTBFQAYMISQQU-PWWKTKHKSA-N 2 2 395.591 3.983 20 0 GHADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000441394394 854177341 /nfs/dbraw/zinc/17/73/41/854177341.db2.gz OYTBFQAYMISQQU-PWWKTKHKSA-N 2 2 395.591 3.983 20 0 GHADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000441394394 854177344 /nfs/dbraw/zinc/17/73/44/854177344.db2.gz OYTBFQAYMISQQU-PWWKTKHKSA-N 2 2 395.591 3.983 20 0 GHADLP CCCCOc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1OC ZINC000572303738 854457784 /nfs/dbraw/zinc/45/77/84/854457784.db2.gz VXYCYBKXFMQCLS-HXUWFJFHSA-N 2 2 376.541 3.561 20 0 GHADLP CCCCOc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1OC ZINC000572303738 854457792 /nfs/dbraw/zinc/45/77/92/854457792.db2.gz VXYCYBKXFMQCLS-HXUWFJFHSA-N 2 2 376.541 3.561 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000070026882 854708195 /nfs/dbraw/zinc/70/81/95/854708195.db2.gz XKEGASPEGIQKTE-PZJWPPBQSA-N 2 2 389.609 3.547 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000070026882 854708203 /nfs/dbraw/zinc/70/82/03/854708203.db2.gz XKEGASPEGIQKTE-PZJWPPBQSA-N 2 2 389.609 3.547 20 0 GHADLP CCC[N@H+](C)C[C@H]1CCN(c2c(C(=O)OCC)c[nH+]c3ccc(OC)cc32)C1 ZINC000482001409 862596528 /nfs/dbraw/zinc/59/65/28/862596528.db2.gz WNMDNJLFVPVBQR-MRXNPFEDSA-N 2 2 385.508 3.588 20 0 GHADLP CCC[N@@H+](C)C[C@H]1CCN(c2c(C(=O)OCC)c[nH+]c3ccc(OC)cc32)C1 ZINC000482001409 862596534 /nfs/dbraw/zinc/59/65/34/862596534.db2.gz WNMDNJLFVPVBQR-MRXNPFEDSA-N 2 2 385.508 3.588 20 0 GHADLP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000589209492 854750260 /nfs/dbraw/zinc/75/02/60/854750260.db2.gz OHGOGFUXCMANRR-MAUKXSAKSA-N 2 2 398.954 3.646 20 0 GHADLP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000589209492 854750273 /nfs/dbraw/zinc/75/02/73/854750273.db2.gz OHGOGFUXCMANRR-MAUKXSAKSA-N 2 2 398.954 3.646 20 0 GHADLP Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CCC2 ZINC000765792189 854825276 /nfs/dbraw/zinc/82/52/76/854825276.db2.gz PRSBLMXHMFUHGM-RVKKMQEKSA-N 2 2 387.524 3.779 20 0 GHADLP Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCC2 ZINC000765792189 854825280 /nfs/dbraw/zinc/82/52/80/854825280.db2.gz PRSBLMXHMFUHGM-RVKKMQEKSA-N 2 2 387.524 3.779 20 0 GHADLP CN(C(=O)[C@H]1CCC=CCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001128012110 854827062 /nfs/dbraw/zinc/82/70/62/854827062.db2.gz XNBSAKMRLOQWEY-NNWRFLSQSA-N 2 2 375.601 3.919 20 0 GHADLP CN(C(=O)[C@H]1CCC=CCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001128012110 854827068 /nfs/dbraw/zinc/82/70/68/854827068.db2.gz XNBSAKMRLOQWEY-NNWRFLSQSA-N 2 2 375.601 3.919 20 0 GHADLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC001168611252 854843423 /nfs/dbraw/zinc/84/34/23/854843423.db2.gz AIIBKUAPNJSGAR-QFIPXVFZSA-N 2 2 395.547 3.711 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000482014638 862630970 /nfs/dbraw/zinc/63/09/70/862630970.db2.gz HMSZAETVTJSTKD-ZWKOTPCHSA-N 2 2 396.000 3.799 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000482014638 862630976 /nfs/dbraw/zinc/63/09/76/862630976.db2.gz HMSZAETVTJSTKD-ZWKOTPCHSA-N 2 2 396.000 3.799 20 0 GHADLP C[NH+](C)CCCOc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000107279724 855392102 /nfs/dbraw/zinc/39/21/02/855392102.db2.gz ZFHYNFJPSJQKRA-UHFFFAOYSA-N 2 2 378.476 3.514 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000330252882 862696084 /nfs/dbraw/zinc/69/60/84/862696084.db2.gz IPVIXZLGXOSDKT-CTNGQTDRSA-N 2 2 396.535 3.742 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000330252882 862696089 /nfs/dbraw/zinc/69/60/89/862696089.db2.gz IPVIXZLGXOSDKT-CTNGQTDRSA-N 2 2 396.535 3.742 20 0 GHADLP CCC[NH+](CCC)CCCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168002461 855601323 /nfs/dbraw/zinc/60/13/23/855601323.db2.gz SVYVJXMYXFDJBQ-VSGJHWFKSA-N 3 2 390.660 3.522 20 0 GHADLP CCC[NH+](CCC)CCCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168002461 855601327 /nfs/dbraw/zinc/60/13/27/855601327.db2.gz SVYVJXMYXFDJBQ-VSGJHWFKSA-N 3 2 390.660 3.522 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590851825 855615527 /nfs/dbraw/zinc/61/55/27/855615527.db2.gz UISZZRBFPQYCRY-UGKGYDQZSA-N 2 2 395.551 3.804 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590851825 855615534 /nfs/dbraw/zinc/61/55/34/855615534.db2.gz UISZZRBFPQYCRY-UGKGYDQZSA-N 2 2 395.551 3.804 20 0 GHADLP C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181061544 862736170 /nfs/dbraw/zinc/73/61/70/862736170.db2.gz BFOZVYYIPYRTHC-KRWDZBQOSA-N 2 2 398.507 3.664 20 0 GHADLP C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181061544 862736181 /nfs/dbraw/zinc/73/61/81/862736181.db2.gz BFOZVYYIPYRTHC-KRWDZBQOSA-N 2 2 398.507 3.664 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000591456737 855997730 /nfs/dbraw/zinc/99/77/30/855997730.db2.gz STPDYSFBDQRJGW-OALUTQOASA-N 2 2 396.535 3.683 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000591456737 855997739 /nfs/dbraw/zinc/99/77/39/855997739.db2.gz STPDYSFBDQRJGW-OALUTQOASA-N 2 2 396.535 3.683 20 0 GHADLP C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508898246 856082578 /nfs/dbraw/zinc/08/25/78/856082578.db2.gz PMJPXNSMAWMQTM-KNQAVFIVSA-N 2 2 397.567 3.776 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000760841840 856158992 /nfs/dbraw/zinc/15/89/92/856158992.db2.gz ZYFSORUCPDFFOI-AKIFATBCSA-N 2 2 383.580 3.764 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000760841840 856159002 /nfs/dbraw/zinc/15/90/02/856159002.db2.gz ZYFSORUCPDFFOI-AKIFATBCSA-N 2 2 383.580 3.764 20 0 GHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000760841840 856159011 /nfs/dbraw/zinc/15/90/11/856159011.db2.gz ZYFSORUCPDFFOI-AKIFATBCSA-N 2 2 383.580 3.764 20 0 GHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000760841840 856159027 /nfs/dbraw/zinc/15/90/27/856159027.db2.gz ZYFSORUCPDFFOI-AKIFATBCSA-N 2 2 383.580 3.764 20 0 GHADLP C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000485228811 856250446 /nfs/dbraw/zinc/25/04/46/856250446.db2.gz GOJWAPCWWUTQFV-HRAATJIYSA-N 2 2 395.482 3.502 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000573707799 856448397 /nfs/dbraw/zinc/44/83/97/856448397.db2.gz LFOAQWQGAFBLFX-FCHUYYIVSA-N 2 2 388.515 3.885 20 0 GHADLP COCCn1cc2c(n1)[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)CCC2 ZINC000507913330 856659753 /nfs/dbraw/zinc/65/97/53/856659753.db2.gz SDGAWWNLNWMGFS-NRFANRHFSA-N 2 2 384.568 3.655 20 0 GHADLP COCCn1cc2c(n1)[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)CCC2 ZINC000507913330 856659759 /nfs/dbraw/zinc/65/97/59/856659759.db2.gz SDGAWWNLNWMGFS-NRFANRHFSA-N 2 2 384.568 3.655 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000674758800 856775151 /nfs/dbraw/zinc/77/51/51/856775151.db2.gz SUKYAGPBXHGOPN-HNNXBMFYSA-N 2 2 387.447 3.644 20 0 GHADLP COCCc1nc(C)c([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)s1 ZINC000181378312 862854632 /nfs/dbraw/zinc/85/46/32/862854632.db2.gz SPEJPEFWGADOEQ-INIZCTEOSA-N 2 2 384.549 3.779 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CC(=O)Nc2ccccc2)cc1 ZINC000665254687 857078027 /nfs/dbraw/zinc/07/80/27/857078027.db2.gz XASKGIXQLNIKLZ-WTNAPCKOSA-N 2 2 381.520 3.538 20 0 GHADLP CCCCNC(=O)C1([NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCCCC1 ZINC000428092502 857109662 /nfs/dbraw/zinc/10/96/62/857109662.db2.gz BICCLNJLAKATCZ-UHFFFAOYSA-N 2 2 392.613 3.618 20 0 GHADLP CCCCNC(=O)C1([NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCCCC1 ZINC000428092502 857109670 /nfs/dbraw/zinc/10/96/70/857109670.db2.gz BICCLNJLAKATCZ-UHFFFAOYSA-N 2 2 392.613 3.618 20 0 GHADLP Cc1cccc([C@H]2CCCCCN2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000605229983 862898486 /nfs/dbraw/zinc/89/84/86/862898486.db2.gz ZQXCLQIHDKSMGF-FYYLOGMGSA-N 2 2 398.595 3.790 20 0 GHADLP Cc1cccc([C@H]2CCCCCN2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000605229983 862898499 /nfs/dbraw/zinc/89/84/99/862898499.db2.gz ZQXCLQIHDKSMGF-FYYLOGMGSA-N 2 2 398.595 3.790 20 0 GHADLP CN(C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000486105489 857432987 /nfs/dbraw/zinc/43/29/87/857432987.db2.gz AITJJJJQLKUHBH-RTWAWAEBSA-N 2 2 378.605 3.640 20 0 GHADLP CN(C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000486105489 857432994 /nfs/dbraw/zinc/43/29/94/857432994.db2.gz AITJJJJQLKUHBH-RTWAWAEBSA-N 2 2 378.605 3.640 20 0 GHADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000113339447 857434655 /nfs/dbraw/zinc/43/46/55/857434655.db2.gz AMANDVWEWUUKPJ-AWEZNQCLSA-N 2 2 398.498 3.554 20 0 GHADLP COc1cccc2c(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)cc(C)[nH+]c12 ZINC000366900814 857469554 /nfs/dbraw/zinc/46/95/54/857469554.db2.gz FRVJDWBVZURGCN-UHFFFAOYSA-N 2 2 382.552 3.547 20 0 GHADLP FC(F)C(F)(F)COCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000469725299 857569195 /nfs/dbraw/zinc/56/91/95/857569195.db2.gz MIXSLINHDKYKEP-ROUUACIJSA-N 2 2 388.449 3.890 20 0 GHADLP FC(F)C(F)(F)COCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000469725299 857569209 /nfs/dbraw/zinc/56/92/09/857569209.db2.gz MIXSLINHDKYKEP-ROUUACIJSA-N 2 2 388.449 3.890 20 0 GHADLP FC(F)C(F)(F)COCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000469725299 857569223 /nfs/dbraw/zinc/56/92/23/857569223.db2.gz MIXSLINHDKYKEP-ROUUACIJSA-N 2 2 388.449 3.890 20 0 GHADLP FC(F)C(F)(F)COCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000469725299 857569237 /nfs/dbraw/zinc/56/92/37/857569237.db2.gz MIXSLINHDKYKEP-ROUUACIJSA-N 2 2 388.449 3.890 20 0 GHADLP CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)[NH+](C)C)cc1 ZINC000672668073 857573319 /nfs/dbraw/zinc/57/33/19/857573319.db2.gz BFUNLPDRRQWGNM-IBGZPJMESA-N 2 2 381.480 3.546 20 0 GHADLP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000672696905 857606369 /nfs/dbraw/zinc/60/63/69/857606369.db2.gz OMAWDVLCQBUOPK-LJQANCHMSA-N 2 2 397.485 3.614 20 0 GHADLP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000672696905 857606377 /nfs/dbraw/zinc/60/63/77/857606377.db2.gz OMAWDVLCQBUOPK-LJQANCHMSA-N 2 2 397.485 3.614 20 0 GHADLP CN1CC[NH+](CC2CC[NH+](Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)CC1 ZINC000521116098 857637693 /nfs/dbraw/zinc/63/76/93/857637693.db2.gz DGNCEGFNDJHBLD-UHFFFAOYSA-N 2 2 389.893 3.818 20 0 GHADLP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)c2c1 ZINC000675876905 857656558 /nfs/dbraw/zinc/65/65/58/857656558.db2.gz BJPFYMCPVLEACY-HTAPYJJXSA-N 2 2 378.520 3.614 20 0 GHADLP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)c2c1 ZINC000675876905 857656564 /nfs/dbraw/zinc/65/65/64/857656564.db2.gz BJPFYMCPVLEACY-HTAPYJJXSA-N 2 2 378.520 3.614 20 0 GHADLP COc1ccc(C[C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1OC ZINC000675920290 857666215 /nfs/dbraw/zinc/66/62/15/857666215.db2.gz JVIKGJWPNBYCGY-YLJYHZDGSA-N 2 2 379.504 3.942 20 0 GHADLP Cc1cccn2cc(CC(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)[nH+]c12 ZINC000676065690 857726073 /nfs/dbraw/zinc/72/60/73/857726073.db2.gz LZCIHTVKONTMTK-UHFFFAOYSA-N 2 2 392.503 3.689 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC000676477922 857898736 /nfs/dbraw/zinc/89/87/36/857898736.db2.gz PJNOZIMLJKCDGK-BJLQDIEVSA-N 2 2 376.504 3.939 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC000676477922 857898740 /nfs/dbraw/zinc/89/87/40/857898740.db2.gz PJNOZIMLJKCDGK-BJLQDIEVSA-N 2 2 376.504 3.939 20 0 GHADLP C[C@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[NH+]1CC(C)C1 ZINC000521457367 857999592 /nfs/dbraw/zinc/99/95/92/857999592.db2.gz QWEIJVYTNFWTHY-LJQANCHMSA-N 2 2 388.515 3.555 20 0 GHADLP Cc1ccc([C@H](CNC(=O)NCCCCNc2cccc[nH+]2)[NH+]2CCCC2)cc1 ZINC000521522941 858091675 /nfs/dbraw/zinc/09/16/75/858091675.db2.gz KNPAKXLGLACJGH-NRFANRHFSA-N 2 2 395.551 3.718 20 0 GHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000428264197 858221531 /nfs/dbraw/zinc/22/15/31/858221531.db2.gz ZGKJFJVEYDPVHB-QGZVFWFLSA-N 2 2 380.458 3.724 20 0 GHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000428264197 858221537 /nfs/dbraw/zinc/22/15/37/858221537.db2.gz ZGKJFJVEYDPVHB-QGZVFWFLSA-N 2 2 380.458 3.724 20 0 GHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000428264197 858221546 /nfs/dbraw/zinc/22/15/46/858221546.db2.gz ZGKJFJVEYDPVHB-QGZVFWFLSA-N 2 2 380.458 3.724 20 0 GHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000428264197 858221551 /nfs/dbraw/zinc/22/15/51/858221551.db2.gz ZGKJFJVEYDPVHB-QGZVFWFLSA-N 2 2 380.458 3.724 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[N@@H+]1C ZINC000428266867 858354800 /nfs/dbraw/zinc/35/48/00/858354800.db2.gz MATVZFSKGWQAAM-BEFAXECRSA-N 2 2 380.458 3.865 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[N@H+]1C ZINC000428266867 858354811 /nfs/dbraw/zinc/35/48/11/858354811.db2.gz MATVZFSKGWQAAM-BEFAXECRSA-N 2 2 380.458 3.865 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[NH+]1C ZINC000428266867 858354822 /nfs/dbraw/zinc/35/48/22/858354822.db2.gz MATVZFSKGWQAAM-BEFAXECRSA-N 2 2 380.458 3.865 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[NH+]1C ZINC000428266867 858354827 /nfs/dbraw/zinc/35/48/27/858354827.db2.gz MATVZFSKGWQAAM-BEFAXECRSA-N 2 2 380.458 3.865 20 0 GHADLP Fc1cncc(Br)c1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000657300821 858480381 /nfs/dbraw/zinc/48/03/81/858480381.db2.gz VBFZHUCVFRFTQH-UHFFFAOYSA-N 2 2 378.289 3.869 20 0 GHADLP C[C@@H](OC[C@H](O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000761117640 858555985 /nfs/dbraw/zinc/55/59/85/858555985.db2.gz KFGXFVIFAFQEJO-OXQOHEQNSA-N 2 2 389.927 3.750 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605404006 863037664 /nfs/dbraw/zinc/03/76/64/863037664.db2.gz PVUWOQASCOHHRH-UHFFFAOYSA-N 2 2 387.418 3.502 20 0 GHADLP CC(C)[C@@H](C[NH2+]Cc1c[nH]nc1-c1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000079915820 858711890 /nfs/dbraw/zinc/71/18/90/858711890.db2.gz AKJHBSQYKQPTHN-JOCHJYFZSA-N 2 2 375.520 3.644 20 0 GHADLP CC(C)[C@@H](C[NH2+]Cc1c[nH]nc1-c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000079915820 858711900 /nfs/dbraw/zinc/71/19/00/858711900.db2.gz AKJHBSQYKQPTHN-JOCHJYFZSA-N 2 2 375.520 3.644 20 0 GHADLP CC(C)[C@H](C[NH2+]Cc1c[nH]nc1-c1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000079915823 858711990 /nfs/dbraw/zinc/71/19/90/858711990.db2.gz AKJHBSQYKQPTHN-QFIPXVFZSA-N 2 2 375.520 3.644 20 0 GHADLP CC(C)[C@H](C[NH2+]Cc1c[nH]nc1-c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000079915823 858711993 /nfs/dbraw/zinc/71/19/93/858711993.db2.gz AKJHBSQYKQPTHN-QFIPXVFZSA-N 2 2 375.520 3.644 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N2CCc3ccccc32)c(C)c1 ZINC000676722096 858783417 /nfs/dbraw/zinc/78/34/17/858783417.db2.gz YFTLRKPBGPOKBI-SIKLNZKXSA-N 2 2 388.515 3.809 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000596118207 858784138 /nfs/dbraw/zinc/78/41/38/858784138.db2.gz SGVFBBBBZJBLEZ-DUXKGJEZSA-N 2 2 387.568 3.640 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000596118207 858784142 /nfs/dbraw/zinc/78/41/42/858784142.db2.gz SGVFBBBBZJBLEZ-DUXKGJEZSA-N 2 2 387.568 3.640 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)CC2)c1 ZINC000474074996 858787522 /nfs/dbraw/zinc/78/75/22/858787522.db2.gz TVNFWBPSCLBCAF-YFNKSVMNSA-N 2 2 385.596 3.692 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(O)c3Cl)C2)ccn1 ZINC000856549793 881365749 /nfs/dbraw/zinc/36/57/49/881365749.db2.gz UZKSHWVXRXEPJX-GOSISDBHSA-N 2 2 375.900 3.546 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(O)c3Cl)C2)ccn1 ZINC000856549793 881365771 /nfs/dbraw/zinc/36/57/71/881365771.db2.gz UZKSHWVXRXEPJX-GOSISDBHSA-N 2 2 375.900 3.546 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc(O)c3Cl)C2)ccn1 ZINC000856549793 881365789 /nfs/dbraw/zinc/36/57/89/881365789.db2.gz UZKSHWVXRXEPJX-GOSISDBHSA-N 2 2 375.900 3.546 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc(O)c3Cl)C2)ccn1 ZINC000856549793 881365807 /nfs/dbraw/zinc/36/58/07/881365807.db2.gz UZKSHWVXRXEPJX-GOSISDBHSA-N 2 2 375.900 3.546 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(Cl)ccc3F)C2)ccn1 ZINC000856552247 881374060 /nfs/dbraw/zinc/37/40/60/881374060.db2.gz KFEJECBMJCFKBJ-IBGZPJMESA-N 2 2 377.891 3.979 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(Cl)ccc3F)C2)ccn1 ZINC000856552247 881374077 /nfs/dbraw/zinc/37/40/77/881374077.db2.gz KFEJECBMJCFKBJ-IBGZPJMESA-N 2 2 377.891 3.979 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(Cl)ccc3F)C2)ccn1 ZINC000856552247 881374097 /nfs/dbraw/zinc/37/40/97/881374097.db2.gz KFEJECBMJCFKBJ-IBGZPJMESA-N 2 2 377.891 3.979 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3F)C2)ccn1 ZINC000856552247 881374118 /nfs/dbraw/zinc/37/41/18/881374118.db2.gz KFEJECBMJCFKBJ-IBGZPJMESA-N 2 2 377.891 3.979 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3CCC(c4ccccc4)CC3)CC2)CC1 ZINC000172929678 859046779 /nfs/dbraw/zinc/04/67/79/859046779.db2.gz HMTYHJDXQWWDCP-UHFFFAOYSA-N 2 2 383.580 3.635 20 0 GHADLP Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3c[nH+]ccc3N(C)C)c2)cc1 ZINC000185140057 859048205 /nfs/dbraw/zinc/04/82/05/859048205.db2.gz RDIFSHWWDDWHFP-UHFFFAOYSA-N 2 2 388.515 3.676 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000185225098 859059458 /nfs/dbraw/zinc/05/94/58/859059458.db2.gz SYBASYSZXMRSBK-YWZLYKJASA-N 2 2 376.907 3.723 20 0 GHADLP CN(C(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472840 859285063 /nfs/dbraw/zinc/28/50/63/859285063.db2.gz WRSFZZNWVFXBCY-HSZRJFAPSA-N 2 2 377.532 3.594 20 0 GHADLP CN(C(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472840 859285073 /nfs/dbraw/zinc/28/50/73/859285073.db2.gz WRSFZZNWVFXBCY-HSZRJFAPSA-N 2 2 377.532 3.594 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CCC2 ZINC000597202083 859358810 /nfs/dbraw/zinc/35/88/10/859358810.db2.gz QRETWYKSESOMDZ-QGZVFWFLSA-N 2 2 398.469 3.900 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1N(C)C ZINC000429445004 859390990 /nfs/dbraw/zinc/39/09/90/859390990.db2.gz IIIIQWGWUHRUSE-GHTZIAJQSA-N 2 2 385.527 3.833 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1N(C)C ZINC000429445004 859390992 /nfs/dbraw/zinc/39/09/92/859390992.db2.gz IIIIQWGWUHRUSE-GHTZIAJQSA-N 2 2 385.527 3.833 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000483522265 859434639 /nfs/dbraw/zinc/43/46/39/859434639.db2.gz FCYXBFIAXAEZGL-UHFFFAOYSA-N 2 2 392.478 3.714 20 0 GHADLP C[C@H](NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000764462464 859457960 /nfs/dbraw/zinc/45/79/60/859457960.db2.gz JVPJFUDMKORERE-KSEOMHKRSA-N 2 2 399.604 3.764 20 0 GHADLP C[C@H](NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000764462464 859457967 /nfs/dbraw/zinc/45/79/67/859457967.db2.gz JVPJFUDMKORERE-KSEOMHKRSA-N 2 2 399.604 3.764 20 0 GHADLP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001129288760 859475690 /nfs/dbraw/zinc/47/56/90/859475690.db2.gz WHRIFZZMFRQQKS-QHCPKHFHSA-N 2 2 396.579 3.855 20 0 GHADLP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001129288760 859475694 /nfs/dbraw/zinc/47/56/94/859475694.db2.gz WHRIFZZMFRQQKS-QHCPKHFHSA-N 2 2 396.579 3.855 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001129288759 859475842 /nfs/dbraw/zinc/47/58/42/859475842.db2.gz WHRIFZZMFRQQKS-HSZRJFAPSA-N 2 2 396.579 3.855 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001129288759 859475846 /nfs/dbraw/zinc/47/58/46/859475846.db2.gz WHRIFZZMFRQQKS-HSZRJFAPSA-N 2 2 396.579 3.855 20 0 GHADLP C[NH+](C)CCOc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000117807798 859626565 /nfs/dbraw/zinc/62/65/65/859626565.db2.gz SCZDPHBLRPSXRN-UHFFFAOYSA-N 2 2 384.867 3.718 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000483955924 859710915 /nfs/dbraw/zinc/71/09/15/859710915.db2.gz FIIHTDLQISZSTN-OYRHEFFESA-N 3 2 396.579 3.892 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000483955924 859710925 /nfs/dbraw/zinc/71/09/25/859710925.db2.gz FIIHTDLQISZSTN-OYRHEFFESA-N 3 2 396.579 3.892 20 0 GHADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000484130072 859819266 /nfs/dbraw/zinc/81/92/66/859819266.db2.gz PGFRQNWTEFCUMD-SIKLNZKXSA-N 2 2 390.474 3.966 20 0 GHADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000484130072 859819270 /nfs/dbraw/zinc/81/92/70/859819270.db2.gz PGFRQNWTEFCUMD-SIKLNZKXSA-N 2 2 390.474 3.966 20 0 GHADLP C[C@H]1C[C@@H](c2ccccc2)[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000513261773 859875346 /nfs/dbraw/zinc/87/53/46/859875346.db2.gz PBFBMIIRLKEJBB-CVDCTZTESA-N 2 2 393.531 3.540 20 0 GHADLP C[C@H]1C[C@@H](c2ccccc2)[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000513261773 859875354 /nfs/dbraw/zinc/87/53/54/859875354.db2.gz PBFBMIIRLKEJBB-CVDCTZTESA-N 2 2 393.531 3.540 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCN1c1ccc(Cl)cc1Cl ZINC000474428203 860086956 /nfs/dbraw/zinc/08/69/56/860086956.db2.gz QKDWPEBHYXBGBZ-ZMSDIMECSA-N 2 2 382.335 3.705 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCN1c1ccc(Cl)cc1Cl ZINC000474428203 860086966 /nfs/dbraw/zinc/08/69/66/860086966.db2.gz QKDWPEBHYXBGBZ-ZMSDIMECSA-N 2 2 382.335 3.705 20 0 GHADLP COC(=O)c1coc([C@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000602801785 860286477 /nfs/dbraw/zinc/28/64/77/860286477.db2.gz ZNVSYZOTLFFGGW-KRWDZBQOSA-N 2 2 383.492 3.510 20 0 GHADLP COC(=O)c1coc([C@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000602801785 860286486 /nfs/dbraw/zinc/28/64/86/860286486.db2.gz ZNVSYZOTLFFGGW-KRWDZBQOSA-N 2 2 383.492 3.510 20 0 GHADLP Clc1cccc2c1C[C@H](N(c1cccc[nH+]1)[C@H]1COC3(C1)CC[NH2+]CC3)C2 ZINC001168730591 860335051 /nfs/dbraw/zinc/33/50/51/860335051.db2.gz JYWJHPWUJOXUEN-QZTJIDSGSA-N 2 2 383.923 3.620 20 0 GHADLP C[C@@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)Cn1cc[nH+]c1 ZINC000474601592 860439118 /nfs/dbraw/zinc/43/91/18/860439118.db2.gz AKDQGENAGDPWHJ-NSHDSACASA-N 2 2 392.219 3.970 20 0 GHADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000474610942 860491530 /nfs/dbraw/zinc/49/15/30/860491530.db2.gz HWZQNNXQRJVTIH-VQTJNVASSA-N 2 2 398.547 3.688 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](CC(F)F)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896193748 860513876 /nfs/dbraw/zinc/51/38/76/860513876.db2.gz GONMXZMCEUDVCC-OAHLLOKOSA-N 2 2 384.471 3.506 20 0 GHADLP Brc1ccc(C[NH+]2CCC(Nc3[nH+]cnc4[nH]ccc43)CC2)cc1 ZINC000474789794 860793891 /nfs/dbraw/zinc/79/38/91/860793891.db2.gz KONJWPBCANDMRV-UHFFFAOYSA-N 2 2 386.297 3.797 20 0 GHADLP CCOC(=O)c1cccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000600118905 861027489 /nfs/dbraw/zinc/02/74/89/861027489.db2.gz FHYPFMNZOPYWGG-NQIIRXRSSA-N 2 2 381.520 3.743 20 0 GHADLP CCOC(=O)c1cccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000600118905 861027502 /nfs/dbraw/zinc/02/75/02/861027502.db2.gz FHYPFMNZOPYWGG-NQIIRXRSSA-N 2 2 381.520 3.743 20 0 GHADLP CCOC(=O)c1cccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000600118905 861027511 /nfs/dbraw/zinc/02/75/11/861027511.db2.gz FHYPFMNZOPYWGG-NQIIRXRSSA-N 2 2 381.520 3.743 20 0 GHADLP CCOC(=O)c1cccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000600118905 861027520 /nfs/dbraw/zinc/02/75/20/861027520.db2.gz FHYPFMNZOPYWGG-NQIIRXRSSA-N 2 2 381.520 3.743 20 0 GHADLP CN(C(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623432373 861061648 /nfs/dbraw/zinc/06/16/48/861061648.db2.gz PANVDFLKMFBFEY-IRLDBZIGSA-N 2 2 379.548 3.723 20 0 GHADLP CN(C(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623432373 861061662 /nfs/dbraw/zinc/06/16/62/861061662.db2.gz PANVDFLKMFBFEY-IRLDBZIGSA-N 2 2 379.548 3.723 20 0 GHADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001170418759 881630540 /nfs/dbraw/zinc/63/05/40/881630540.db2.gz ZYRSTHNRHIGSTB-IRXDYDNUSA-N 2 2 391.309 3.789 20 0 GHADLP CCSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000182130125 863130689 /nfs/dbraw/zinc/13/06/89/863130689.db2.gz CUGYLCFXTOWFCN-ROUUACIJSA-N 2 2 398.576 3.582 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000282664637 863266749 /nfs/dbraw/zinc/26/67/49/863266749.db2.gz NATYYRUPLWGZIE-UHFFFAOYSA-N 2 2 375.520 3.638 20 0 GHADLP Clc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(-n2cncn2)c1 ZINC000281948470 863534534 /nfs/dbraw/zinc/53/45/34/863534534.db2.gz FLIVQOFJDXNWIO-KRWDZBQOSA-N 2 2 396.926 3.833 20 0 GHADLP Clc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(-n2cncn2)c1 ZINC000281948470 863534540 /nfs/dbraw/zinc/53/45/40/863534540.db2.gz FLIVQOFJDXNWIO-KRWDZBQOSA-N 2 2 396.926 3.833 20 0 GHADLP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000606469333 863650068 /nfs/dbraw/zinc/65/00/68/863650068.db2.gz RTPJBNZXSBIJHL-UHFFFAOYSA-N 2 2 393.575 3.827 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000522961656 863806746 /nfs/dbraw/zinc/80/67/46/863806746.db2.gz SHKAAIHXVSTZJL-UHFFFAOYSA-N 2 2 380.492 3.545 20 0 GHADLP CN(C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C(c1ccccc1)c1ccccc1 ZINC000158523105 863859319 /nfs/dbraw/zinc/85/93/19/863859319.db2.gz UEWGZYQMGVTZMO-PKTZIBPZSA-N 2 2 391.559 3.651 20 0 GHADLP CN(C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C(c1ccccc1)c1ccccc1 ZINC000158523105 863859337 /nfs/dbraw/zinc/85/93/37/863859337.db2.gz UEWGZYQMGVTZMO-PKTZIBPZSA-N 2 2 391.559 3.651 20 0 GHADLP CN(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C(c1ccccc1)c1ccccc1 ZINC000158523105 863859358 /nfs/dbraw/zinc/85/93/58/863859358.db2.gz UEWGZYQMGVTZMO-PKTZIBPZSA-N 2 2 391.559 3.651 20 0 GHADLP CN(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C(c1ccccc1)c1ccccc1 ZINC000158523105 863859377 /nfs/dbraw/zinc/85/93/77/863859377.db2.gz UEWGZYQMGVTZMO-PKTZIBPZSA-N 2 2 391.559 3.651 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H](c3ccccc3)C3CCCCC3)C2)CC1 ZINC000734269163 864106581 /nfs/dbraw/zinc/10/65/81/864106581.db2.gz HYHWXOZDZWWVCK-FYYLOGMGSA-N 2 2 398.595 3.776 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H](c3ccccc3)C3CCCCC3)C2)CC1 ZINC000734269163 864106589 /nfs/dbraw/zinc/10/65/89/864106589.db2.gz HYHWXOZDZWWVCK-FYYLOGMGSA-N 2 2 398.595 3.776 20 0 GHADLP CCCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000469872666 864293042 /nfs/dbraw/zinc/29/30/42/864293042.db2.gz PHRCPFORHXKEAA-UXLLHSPISA-N 2 2 397.357 3.806 20 0 GHADLP CCCOc1c(Br)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000469872666 864293056 /nfs/dbraw/zinc/29/30/56/864293056.db2.gz PHRCPFORHXKEAA-UXLLHSPISA-N 2 2 397.357 3.806 20 0 GHADLP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)[C@@H]1Oc1ccccc1 ZINC000480230743 864314421 /nfs/dbraw/zinc/31/44/21/864314421.db2.gz RMBOOIPFLDDSEB-ZRBLBEILSA-N 2 2 377.488 3.646 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429538936 881755605 /nfs/dbraw/zinc/75/56/05/881755605.db2.gz JXWDHGXIBOVLEM-LZWOXQAQSA-N 2 2 386.367 3.975 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429538936 881755624 /nfs/dbraw/zinc/75/56/24/881755624.db2.gz JXWDHGXIBOVLEM-LZWOXQAQSA-N 2 2 386.367 3.975 20 0 GHADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H]1Oc1ccccc1 ZINC000480274432 864383662 /nfs/dbraw/zinc/38/36/62/864383662.db2.gz NTDKVAMYBCBPRS-NNWRFLSQSA-N 2 2 381.451 3.726 20 0 GHADLP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc2c(c1)OCCO2 ZINC000163706913 864555289 /nfs/dbraw/zinc/55/52/89/864555289.db2.gz GIVRQSVAKUSDAW-OAQYLSRUSA-N 2 2 382.504 3.531 20 0 GHADLP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000554566241 864573587 /nfs/dbraw/zinc/57/35/87/864573587.db2.gz ZTIALINFWHZRLS-QZTJIDSGSA-N 2 2 396.535 3.825 20 0 GHADLP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000554566241 864573595 /nfs/dbraw/zinc/57/35/95/864573595.db2.gz ZTIALINFWHZRLS-QZTJIDSGSA-N 2 2 396.535 3.825 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000165541773 864681758 /nfs/dbraw/zinc/68/17/58/864681758.db2.gz FVPBIOCZFRZWMF-ROUUACIJSA-N 2 2 378.586 3.857 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000165541773 864681764 /nfs/dbraw/zinc/68/17/64/864681764.db2.gz FVPBIOCZFRZWMF-ROUUACIJSA-N 2 2 378.586 3.857 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000480558794 864861116 /nfs/dbraw/zinc/86/11/16/864861116.db2.gz SSWGUHXRFKZYLM-ZJSXRUAMSA-N 3 2 388.559 3.974 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000480558794 864861133 /nfs/dbraw/zinc/86/11/33/864861133.db2.gz SSWGUHXRFKZYLM-ZJSXRUAMSA-N 3 2 388.559 3.974 20 0 GHADLP CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)Cn1nccc1-c1cccnc1 ZINC000173550018 864866838 /nfs/dbraw/zinc/86/68/38/864866838.db2.gz BSONSEVFLOJFHX-NRFANRHFSA-N 2 2 375.520 3.747 20 0 GHADLP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)Cn1nccc1-c1cccnc1 ZINC000173550018 864866873 /nfs/dbraw/zinc/86/68/73/864866873.db2.gz BSONSEVFLOJFHX-NRFANRHFSA-N 2 2 375.520 3.747 20 0 GHADLP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cn1nccc1-c1cccnc1 ZINC000173550018 864866886 /nfs/dbraw/zinc/86/68/86/864866886.db2.gz BSONSEVFLOJFHX-NRFANRHFSA-N 2 2 375.520 3.747 20 0 GHADLP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1nccc1-c1cccnc1 ZINC000173550018 864866903 /nfs/dbraw/zinc/86/69/03/864866903.db2.gz BSONSEVFLOJFHX-NRFANRHFSA-N 2 2 375.520 3.747 20 0 GHADLP CCCCCC[N@H+](C)CC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000735650909 864903647 /nfs/dbraw/zinc/90/36/47/864903647.db2.gz UTJMVWPTDOSSMY-OALUTQOASA-N 2 2 375.557 3.746 20 0 GHADLP CCCCCC[N@@H+](C)CC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000735650909 864903659 /nfs/dbraw/zinc/90/36/59/864903659.db2.gz UTJMVWPTDOSSMY-OALUTQOASA-N 2 2 375.557 3.746 20 0 GHADLP CN(C(=O)CC(C)(C)C(F)(F)F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000480582988 864908763 /nfs/dbraw/zinc/90/87/63/864908763.db2.gz QAEQCWQZDSLZCU-IAGOWNOFSA-N 2 2 391.522 3.761 20 0 GHADLP CN(C(=O)CC(C)(C)C(F)(F)F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000480582988 864908768 /nfs/dbraw/zinc/90/87/68/864908768.db2.gz QAEQCWQZDSLZCU-IAGOWNOFSA-N 2 2 391.522 3.761 20 0 GHADLP CN(C(=O)CC(C)(C)C(F)(F)F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000480582995 864909030 /nfs/dbraw/zinc/90/90/30/864909030.db2.gz QAEQCWQZDSLZCU-SJORKVTESA-N 2 2 391.522 3.761 20 0 GHADLP CN(C(=O)CC(C)(C)C(F)(F)F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000480582995 864909042 /nfs/dbraw/zinc/90/90/42/864909042.db2.gz QAEQCWQZDSLZCU-SJORKVTESA-N 2 2 391.522 3.761 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cnn(-c3ccccc3)c2)CC1 ZINC000608070320 864962086 /nfs/dbraw/zinc/96/20/86/864962086.db2.gz CTVAAVYXWPWPMB-UHFFFAOYSA-N 2 2 395.938 3.567 20 0 GHADLP Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000608206484 865102136 /nfs/dbraw/zinc/10/21/36/865102136.db2.gz DSKFOIYCVYIEBY-JOCHJYFZSA-N 2 2 388.515 3.730 20 0 GHADLP CCC[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000738091562 865483791 /nfs/dbraw/zinc/48/37/91/865483791.db2.gz ZSBINDMFNHKONO-KRWDZBQOSA-N 2 2 379.614 3.825 20 0 GHADLP CCC[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC000738091562 865483796 /nfs/dbraw/zinc/48/37/96/865483796.db2.gz ZSBINDMFNHKONO-KRWDZBQOSA-N 2 2 379.614 3.825 20 0 GHADLP CCn1c2ccccc2n(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1=S ZINC000738111617 865494531 /nfs/dbraw/zinc/49/45/31/865494531.db2.gz NTDSJXUVJWNNBW-UHFFFAOYSA-N 2 2 388.581 3.584 20 0 GHADLP Cc1nc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)sc1C ZINC000481166322 865906963 /nfs/dbraw/zinc/90/69/63/865906963.db2.gz KENOTLIEOLVYLF-ALKREAHSSA-N 2 2 386.565 3.587 20 0 GHADLP Cc1nc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)sc1C ZINC000481166322 865906973 /nfs/dbraw/zinc/90/69/73/865906973.db2.gz KENOTLIEOLVYLF-ALKREAHSSA-N 2 2 386.565 3.587 20 0 GHADLP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3ccccc3-n3cc[nH+]c3)C2)CC1 ZINC000103310280 866039059 /nfs/dbraw/zinc/03/90/59/866039059.db2.gz LFSIEZOKJCBPLY-FQEVSTJZSA-N 2 2 395.551 3.526 20 0 GHADLP Cc1c(O)ccc2c(C[NH+]3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)cc(=O)oc12 ZINC000303556405 866238148 /nfs/dbraw/zinc/23/81/48/866238148.db2.gz HSYKRVRXOZBBSS-WMZOPIPTSA-N 2 2 384.520 3.893 20 0 GHADLP Cc1c(O)ccc2c(C[NH+]3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc(=O)oc12 ZINC000303556405 866238163 /nfs/dbraw/zinc/23/81/63/866238163.db2.gz HSYKRVRXOZBBSS-WMZOPIPTSA-N 2 2 384.520 3.893 20 0 GHADLP Cc1c(O)ccc2c(C[N@H+]3CCC[C@H](C[NH+]4CCCC[C@@H]4C)C3)cc(=O)oc12 ZINC000303556405 866238176 /nfs/dbraw/zinc/23/81/76/866238176.db2.gz HSYKRVRXOZBBSS-WMZOPIPTSA-N 2 2 384.520 3.893 20 0 GHADLP Cc1c(O)ccc2c(C[N@@H+]3CCC[C@H](C[NH+]4CCCC[C@@H]4C)C3)cc(=O)oc12 ZINC000303556405 866238192 /nfs/dbraw/zinc/23/81/92/866238192.db2.gz HSYKRVRXOZBBSS-WMZOPIPTSA-N 2 2 384.520 3.893 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)cc1C[NH+]1CCCCC1 ZINC000183255534 866486358 /nfs/dbraw/zinc/48/63/58/866486358.db2.gz XRSBIJTWBDVQNZ-QGZVFWFLSA-N 2 2 396.597 3.545 20 0 GHADLP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2nnc(C(C)C)s2)CC1)CC(C)C ZINC000552993473 866626841 /nfs/dbraw/zinc/62/68/41/866626841.db2.gz BTKFVRUDUYLSBZ-UHFFFAOYSA-N 2 2 395.617 3.680 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2nnc(C(C)C)s2)CC1)CC(C)C ZINC000552993473 866626846 /nfs/dbraw/zinc/62/68/46/866626846.db2.gz BTKFVRUDUYLSBZ-UHFFFAOYSA-N 2 2 395.617 3.680 20 0 GHADLP CCCCS[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361049 866645564 /nfs/dbraw/zinc/64/55/64/866645564.db2.gz CMJIRZMYLHZJHO-RLLQIKCJSA-N 2 2 383.646 3.704 20 0 GHADLP CCCCS[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361049 866645567 /nfs/dbraw/zinc/64/55/67/866645567.db2.gz CMJIRZMYLHZJHO-RLLQIKCJSA-N 2 2 383.646 3.704 20 0 GHADLP C[C@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[NH+]1CCC(C)CC1 ZINC000534599320 867109835 /nfs/dbraw/zinc/10/98/35/867109835.db2.gz ZGJAIDJBCZSIGH-GOSISDBHSA-N 2 2 393.535 3.844 20 0 GHADLP Clc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CC2 ZINC000479189862 867339138 /nfs/dbraw/zinc/33/91/38/867339138.db2.gz GMROPDCXYWGWMV-OAQYLSRUSA-N 2 2 386.923 3.828 20 0 GHADLP CCSCC[C@H](C)[N@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428383652 867482953 /nfs/dbraw/zinc/48/29/53/867482953.db2.gz AGTMUXXQZKYJDB-INIZCTEOSA-N 2 2 398.642 3.777 20 0 GHADLP CCSCC[C@H](C)[N@@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428383652 867482958 /nfs/dbraw/zinc/48/29/58/867482958.db2.gz AGTMUXXQZKYJDB-INIZCTEOSA-N 2 2 398.642 3.777 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000553504415 867548610 /nfs/dbraw/zinc/54/86/10/867548610.db2.gz LQIOUSTWGRBPGS-URXFXBBRSA-N 2 2 391.559 3.774 20 0 GHADLP COc1cc2c(NCc3cccc(C[NH+]4CCOCC4)c3)cc[nH+]c2cc1F ZINC000479369500 867636890 /nfs/dbraw/zinc/63/68/90/867636890.db2.gz ZJCFZSQRJCWZAE-UHFFFAOYSA-N 2 2 381.451 3.827 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(F)cc1F ZINC000155158679 867776068 /nfs/dbraw/zinc/77/60/68/867776068.db2.gz GZSAUFZIRIWLDZ-MRXNPFEDSA-N 2 2 376.447 3.527 20 0 GHADLP Clc1ccc(C[N@@H+]2CCCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)cc1 ZINC000667492525 867812675 /nfs/dbraw/zinc/81/26/75/867812675.db2.gz MAZDCUUPSPYRHZ-UHFFFAOYSA-N 2 2 381.911 3.629 20 0 GHADLP CCCC[N@H+](C)CC1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000523806696 867970045 /nfs/dbraw/zinc/97/00/45/867970045.db2.gz YXGIRIVHLDECMM-UHFFFAOYSA-N 2 2 383.540 3.526 20 0 GHADLP CCCC[N@@H+](C)CC1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000523806696 867970059 /nfs/dbraw/zinc/97/00/59/867970059.db2.gz YXGIRIVHLDECMM-UHFFFAOYSA-N 2 2 383.540 3.526 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC000156568070 868401084 /nfs/dbraw/zinc/40/10/84/868401084.db2.gz HQRGXWWYFDHVLL-SPEDKVCISA-N 2 2 376.504 3.797 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC000156568070 868401091 /nfs/dbraw/zinc/40/10/91/868401091.db2.gz HQRGXWWYFDHVLL-SPEDKVCISA-N 2 2 376.504 3.797 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001170432475 882206822 /nfs/dbraw/zinc/20/68/22/882206822.db2.gz SMYBZONENBUNQU-LGVFNWMJSA-N 2 2 396.531 3.616 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001170432475 882206833 /nfs/dbraw/zinc/20/68/33/882206833.db2.gz SMYBZONENBUNQU-LGVFNWMJSA-N 2 2 396.531 3.616 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)C1 ZINC000524368538 868993788 /nfs/dbraw/zinc/99/37/88/868993788.db2.gz RCKQILPSINXRDC-RXVVDRJESA-N 2 2 395.551 3.731 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)C1 ZINC000524368538 868993794 /nfs/dbraw/zinc/99/37/94/868993794.db2.gz RCKQILPSINXRDC-RXVVDRJESA-N 2 2 395.551 3.731 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000462519473 869599748 /nfs/dbraw/zinc/59/97/48/869599748.db2.gz BUTLUCWBCGDFJI-QAPCUYQASA-N 2 2 392.594 3.501 20 0 GHADLP C[C@@H]([NH2+]Cc1nccn1-c1ccccc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000190958329 882320419 /nfs/dbraw/zinc/32/04/19/882320419.db2.gz SKNWDIUDOCDWNM-GOSISDBHSA-N 2 2 393.510 3.614 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@H]21 ZINC000539895261 869981835 /nfs/dbraw/zinc/98/18/35/869981835.db2.gz ALGNKWBIIAEKBY-VQIMIIECSA-N 2 2 389.341 3.551 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@H]21 ZINC000539895261 869981844 /nfs/dbraw/zinc/98/18/44/869981844.db2.gz ALGNKWBIIAEKBY-VQIMIIECSA-N 2 2 389.341 3.551 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@H]21 ZINC000539895261 869981854 /nfs/dbraw/zinc/98/18/54/869981854.db2.gz ALGNKWBIIAEKBY-VQIMIIECSA-N 2 2 389.341 3.551 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@H]21 ZINC000539895261 869981863 /nfs/dbraw/zinc/98/18/63/869981863.db2.gz ALGNKWBIIAEKBY-VQIMIIECSA-N 2 2 389.341 3.551 20 0 GHADLP c1ccc(-n2c(C[NH+]3CCCCC3)nnc2SCC[NH+]2CCCCC2)cc1 ZINC000248015173 870261882 /nfs/dbraw/zinc/26/18/82/870261882.db2.gz KEZFKNGWFJAXEQ-UHFFFAOYSA-N 2 2 385.581 3.831 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000248013529 870262280 /nfs/dbraw/zinc/26/22/80/870262280.db2.gz LOFYESAZUZCECH-JOQOYGCGSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000248013529 870262298 /nfs/dbraw/zinc/26/22/98/870262298.db2.gz LOFYESAZUZCECH-JOQOYGCGSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000248013529 870262312 /nfs/dbraw/zinc/26/23/12/870262312.db2.gz LOFYESAZUZCECH-JOQOYGCGSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000248013529 870262326 /nfs/dbraw/zinc/26/23/26/870262326.db2.gz LOFYESAZUZCECH-JOQOYGCGSA-N 2 2 384.351 3.587 20 0 GHADLP CC[N@@H+]1CCC[C@@H](CN(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)[C@@H]1c1cnn(C)c1 ZINC000667119383 870268410 /nfs/dbraw/zinc/26/84/10/870268410.db2.gz ROBMZLQNBZPYFK-GHTZIAJQSA-N 2 2 398.555 3.677 20 0 GHADLP CC[N@H+]1CCC[C@@H](CN(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)[C@@H]1c1cnn(C)c1 ZINC000667119383 870268422 /nfs/dbraw/zinc/26/84/22/870268422.db2.gz ROBMZLQNBZPYFK-GHTZIAJQSA-N 2 2 398.555 3.677 20 0 GHADLP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1Cl ZINC000446753961 870300347 /nfs/dbraw/zinc/30/03/47/870300347.db2.gz VHCHNSBDOMZYJZ-CJNGLKHVSA-N 2 2 375.738 3.600 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]C2CCC(c3ccc(F)cc3)CC2)CC1 ZINC000462909027 870360651 /nfs/dbraw/zinc/36/06/51/870360651.db2.gz ZMAPGDBGSITLGD-UHFFFAOYSA-N 2 2 376.516 3.859 20 0 GHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3c(F)cccc3Cl)CC2)C[C@H](C)O1 ZINC000540244768 870844959 /nfs/dbraw/zinc/84/49/59/870844959.db2.gz GWOIBFURLCGKQJ-HOTGVXAUSA-N 2 2 384.923 3.569 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3c4ccccc4CCc4ccccc43)CC[C@H]21 ZINC000249648424 870879352 /nfs/dbraw/zinc/87/93/52/870879352.db2.gz YDOWNIQNGILTCK-FCHUYYIVSA-N 2 2 389.543 3.866 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3c4ccccc4CCc4ccccc43)CC[C@H]21 ZINC000249648424 870879366 /nfs/dbraw/zinc/87/93/66/870879366.db2.gz YDOWNIQNGILTCK-FCHUYYIVSA-N 2 2 389.543 3.866 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3c4ccccc4CCc4ccccc43)CC[C@H]21 ZINC000249648424 870879374 /nfs/dbraw/zinc/87/93/74/870879374.db2.gz YDOWNIQNGILTCK-FCHUYYIVSA-N 2 2 389.543 3.866 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3c4ccccc4CCc4ccccc43)CC[C@H]21 ZINC000249648424 870879380 /nfs/dbraw/zinc/87/93/80/870879380.db2.gz YDOWNIQNGILTCK-FCHUYYIVSA-N 2 2 389.543 3.866 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168849659 870930531 /nfs/dbraw/zinc/93/05/31/870930531.db2.gz KUWGECYDVGHAOM-WIYYLYMNSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168849659 870930542 /nfs/dbraw/zinc/93/05/42/870930542.db2.gz KUWGECYDVGHAOM-WIYYLYMNSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463137396 870985185 /nfs/dbraw/zinc/98/51/85/870985185.db2.gz QPOLIDRTTWBIDG-SQJMNOBHSA-N 2 2 393.575 3.662 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463137396 870985199 /nfs/dbraw/zinc/98/51/99/870985199.db2.gz QPOLIDRTTWBIDG-SQJMNOBHSA-N 2 2 393.575 3.662 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463137396 870985217 /nfs/dbraw/zinc/98/52/17/870985217.db2.gz QPOLIDRTTWBIDG-SQJMNOBHSA-N 3 2 393.575 3.662 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463137396 870985232 /nfs/dbraw/zinc/98/52/32/870985232.db2.gz QPOLIDRTTWBIDG-SQJMNOBHSA-N 3 2 393.575 3.662 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CN1Cc1ccccc1 ZINC000463191692 871096966 /nfs/dbraw/zinc/09/69/66/871096966.db2.gz NKXBCQQAHLWYCQ-PXDATVDWSA-N 2 2 377.576 3.946 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3Br)CCOCC1)C2 ZINC001169119919 871211581 /nfs/dbraw/zinc/21/15/81/871211581.db2.gz YKUCCWBIRQXQAZ-MUJYYYPQSA-N 2 2 379.342 3.670 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3Br)CCOCC1)C2 ZINC001169119919 871211601 /nfs/dbraw/zinc/21/16/01/871211601.db2.gz YKUCCWBIRQXQAZ-MUJYYYPQSA-N 2 2 379.342 3.670 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC1)C2 ZINC001169131819 871220774 /nfs/dbraw/zinc/22/07/74/871220774.db2.gz ZYYRWDCOORNHAL-REPLKXPHSA-N 2 2 377.573 3.725 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC1)C2 ZINC001169131819 871220792 /nfs/dbraw/zinc/22/07/92/871220792.db2.gz ZYYRWDCOORNHAL-REPLKXPHSA-N 2 2 377.573 3.725 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCN(C(=O)c4cccs4)CC3)CC1)C2 ZINC001169135100 871225402 /nfs/dbraw/zinc/22/54/02/871225402.db2.gz XUNJLEBADOPHBF-BWTSREIZSA-N 2 2 387.593 3.692 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCN(C(=O)c4cccs4)CC3)CC1)C2 ZINC001169135100 871225416 /nfs/dbraw/zinc/22/54/16/871225416.db2.gz XUNJLEBADOPHBF-BWTSREIZSA-N 2 2 387.593 3.692 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C(=O)c3ccc(Br)cc3)CC1)C2 ZINC001169142397 871251619 /nfs/dbraw/zinc/25/16/19/871251619.db2.gz CGGJIENQKGTOAO-REPLKXPHSA-N 2 2 391.353 3.969 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C(=O)c3ccc(Br)cc3)CC1)C2 ZINC001169142397 871251636 /nfs/dbraw/zinc/25/16/36/871251636.db2.gz CGGJIENQKGTOAO-REPLKXPHSA-N 2 2 391.353 3.969 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2nc(-c3ccncc3)cs2)[C@@H](C)C1 ZINC000539071255 871258639 /nfs/dbraw/zinc/25/86/39/871258639.db2.gz GTPMISZBURNSBN-LNLFQRSKSA-N 2 2 388.581 3.993 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2nc(-c3ccncc3)cs2)[C@@H](C)C1 ZINC000539071255 871258659 /nfs/dbraw/zinc/25/86/59/871258659.db2.gz GTPMISZBURNSBN-LNLFQRSKSA-N 2 2 388.581 3.993 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccncc2OCC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000463248425 871265199 /nfs/dbraw/zinc/26/51/99/871265199.db2.gz TWILENUGQNHUAD-LPHOPBHVSA-N 2 2 375.463 3.868 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccncc2OCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000463248425 871265212 /nfs/dbraw/zinc/26/52/12/871265212.db2.gz TWILENUGQNHUAD-LPHOPBHVSA-N 2 2 375.463 3.868 20 0 GHADLP C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169162135 871273378 /nfs/dbraw/zinc/27/33/78/871273378.db2.gz SHWTWJMGOGCMJY-XCLNPWKQSA-N 2 2 392.385 3.753 20 0 GHADLP C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169162135 871273397 /nfs/dbraw/zinc/27/33/97/871273397.db2.gz SHWTWJMGOGCMJY-XCLNPWKQSA-N 2 2 392.385 3.753 20 0 GHADLP C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169162132 871273484 /nfs/dbraw/zinc/27/34/84/871273484.db2.gz SHWTWJMGOGCMJY-QLIIJSOBSA-N 2 2 392.385 3.753 20 0 GHADLP C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169162132 871273500 /nfs/dbraw/zinc/27/35/00/871273500.db2.gz SHWTWJMGOGCMJY-QLIIJSOBSA-N 2 2 392.385 3.753 20 0 GHADLP CC(C)[C@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000539089761 871287804 /nfs/dbraw/zinc/28/78/04/871287804.db2.gz GRPROXYNZIOUNQ-GPJFCIFZSA-N 2 2 384.486 3.895 20 0 GHADLP CC(C)[C@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[N@H+]1CCc2ccccc2C1 ZINC000539089761 871287821 /nfs/dbraw/zinc/28/78/21/871287821.db2.gz GRPROXYNZIOUNQ-GPJFCIFZSA-N 2 2 384.486 3.895 20 0 GHADLP CCC(CC)[C@@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)[NH+](C)C ZINC000525736801 871319963 /nfs/dbraw/zinc/31/99/63/871319963.db2.gz ZPLGUQNHQBMAOM-MAUKXSAKSA-N 2 2 395.617 3.863 20 0 GHADLP CCC(CC)[C@@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)[NH+](C)C ZINC000525736801 871319987 /nfs/dbraw/zinc/31/99/87/871319987.db2.gz ZPLGUQNHQBMAOM-MAUKXSAKSA-N 2 2 395.617 3.863 20 0 GHADLP Cc1cc(OC[C@H](O)C[N@H+](C)CCCn2cc[nH+]c2)c(C(C)C)cc1Cl ZINC000539221323 871536732 /nfs/dbraw/zinc/53/67/32/871536732.db2.gz YKMZOPBNXDATIN-QGZVFWFLSA-N 2 2 379.932 3.730 20 0 GHADLP Cc1cc(OC[C@H](O)C[N@@H+](C)CCCn2cc[nH+]c2)c(C(C)C)cc1Cl ZINC000539221323 871536739 /nfs/dbraw/zinc/53/67/39/871536739.db2.gz YKMZOPBNXDATIN-QGZVFWFLSA-N 2 2 379.932 3.730 20 0 GHADLP CCc1ccc(-c2ccc(C[NH2+]Cc3cccnc3N3CC[NH+](C)CC3)o2)cc1 ZINC000540598439 871661755 /nfs/dbraw/zinc/66/17/55/871661755.db2.gz KQQQPFZQLUOFAY-UHFFFAOYSA-N 2 2 390.531 3.946 20 0 GHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)C[C@H](C)O1 ZINC000525953879 871757138 /nfs/dbraw/zinc/75/71/38/871757138.db2.gz DBGRTMILFJYJMH-IYBDPMFKSA-N 2 2 384.923 3.569 20 0 GHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)C[C@H](C)O1 ZINC000525953879 871757159 /nfs/dbraw/zinc/75/71/59/871757159.db2.gz DBGRTMILFJYJMH-IYBDPMFKSA-N 2 2 384.923 3.569 20 0 GHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cccc(Cl)c3F)CC2)C[C@H](C)O1 ZINC000525972119 871779481 /nfs/dbraw/zinc/77/94/81/871779481.db2.gz BLPDYIMSAUZDKI-HOTGVXAUSA-N 2 2 384.923 3.569 20 0 GHADLP FC(F)(F)c1ccc(Cn2cc(C[NH2+]CCCNc3cccc[nH+]3)cn2)cc1 ZINC000494602160 882552331 /nfs/dbraw/zinc/55/23/31/882552331.db2.gz IIBDQABJCZLORI-UHFFFAOYSA-N 2 2 389.425 3.937 20 0 GHADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000552036155 871913705 /nfs/dbraw/zinc/91/37/05/871913705.db2.gz YELPYWULCFVZHH-YPAWHYETSA-N 2 2 392.547 3.976 20 0 GHADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000552036155 871913714 /nfs/dbraw/zinc/91/37/14/871913714.db2.gz YELPYWULCFVZHH-YPAWHYETSA-N 2 2 392.547 3.976 20 0 GHADLP C[C@H]([NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000447608156 871979984 /nfs/dbraw/zinc/97/99/84/871979984.db2.gz UQXLMEVYAGNQKE-GOEBONIOSA-N 2 2 389.421 3.791 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000478053542 872387705 /nfs/dbraw/zinc/38/77/05/872387705.db2.gz MUWLNSYDKGOSAJ-INIZCTEOSA-N 2 2 390.597 3.547 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000478053542 872387724 /nfs/dbraw/zinc/38/77/24/872387724.db2.gz MUWLNSYDKGOSAJ-INIZCTEOSA-N 2 2 390.597 3.547 20 0 GHADLP CCc1ccccc1NC(=O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108515 882616478 /nfs/dbraw/zinc/61/64/78/882616478.db2.gz QYNIHPYVPNTPMG-UHFFFAOYSA-N 2 2 380.536 3.821 20 0 GHADLP CCc1ccccc1NC(=O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108515 882616485 /nfs/dbraw/zinc/61/64/85/882616485.db2.gz QYNIHPYVPNTPMG-UHFFFAOYSA-N 2 2 380.536 3.821 20 0 GHADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000447941505 872539882 /nfs/dbraw/zinc/53/98/82/872539882.db2.gz KOZXUEDEGKSRCO-UHFFFAOYSA-N 2 2 386.609 3.868 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCc2ccc(Cl)nc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000857904074 882628318 /nfs/dbraw/zinc/62/83/18/882628318.db2.gz AGEXUPIZKMKZAN-RDTXWAMCSA-N 2 2 388.918 3.964 20 0 GHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(I)cc1 ZINC000152812137 872888445 /nfs/dbraw/zinc/88/84/45/872888445.db2.gz YQIFTUMMFJMQOR-ZDUSSCGKSA-N 2 2 395.288 3.717 20 0 GHADLP CCCCCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H](C)CCC ZINC000176289542 882674102 /nfs/dbraw/zinc/67/41/02/882674102.db2.gz QUDPPMFOASFBEL-IBGZPJMESA-N 2 2 380.621 3.935 20 0 GHADLP Cc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1Br ZINC000527325328 873013982 /nfs/dbraw/zinc/01/39/82/873013982.db2.gz XHVLPENSWFGCOO-DFNIBXOVSA-N 2 2 392.385 3.500 20 0 GHADLP Cc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1Br ZINC000527325328 873014003 /nfs/dbraw/zinc/01/40/03/873014003.db2.gz XHVLPENSWFGCOO-DFNIBXOVSA-N 2 2 392.385 3.500 20 0 GHADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000527506165 873195464 /nfs/dbraw/zinc/19/54/64/873195464.db2.gz FAPYSEZGUYGWQO-HNAYVOBHSA-N 2 2 381.358 3.848 20 0 GHADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000527506165 873195468 /nfs/dbraw/zinc/19/54/68/873195468.db2.gz FAPYSEZGUYGWQO-HNAYVOBHSA-N 2 2 381.358 3.848 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000116215594 873363695 /nfs/dbraw/zinc/36/36/95/873363695.db2.gz RBXSKDQNEIJIRN-LJQANCHMSA-N 2 2 388.515 3.887 20 0 GHADLP Fc1ccc(-c2noc(CCC[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)n2)cc1 ZINC000541380341 873480646 /nfs/dbraw/zinc/48/06/46/873480646.db2.gz KEVGJTUXMDLEDC-UHFFFAOYSA-N 2 2 383.452 3.845 20 0 GHADLP OCC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1Br ZINC000541383049 873484585 /nfs/dbraw/zinc/48/45/85/873484585.db2.gz GIFNSPUQBYEETM-QGZVFWFLSA-N 2 2 392.322 3.910 20 0 GHADLP Cc1cccc([C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C(C)C)c1 ZINC000527724709 873499429 /nfs/dbraw/zinc/49/94/29/873499429.db2.gz JLRNIDJHIAGONB-JOCHJYFZSA-N 2 2 386.584 3.550 20 0 GHADLP O[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(Br)cc1 ZINC001197275700 873687904 /nfs/dbraw/zinc/68/79/04/873687904.db2.gz VVPCSLZLALIVGY-RTBURBONSA-N 2 2 386.293 3.710 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527869384 873697205 /nfs/dbraw/zinc/69/72/05/873697205.db2.gz QPGHAEWKPAVHQB-HSQYWUDLSA-N 2 2 388.914 3.939 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527869384 873697213 /nfs/dbraw/zinc/69/72/13/873697213.db2.gz QPGHAEWKPAVHQB-HSQYWUDLSA-N 2 2 388.914 3.939 20 0 GHADLP Cn1c(NC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)cc2ccccc21 ZINC001198019303 874166128 /nfs/dbraw/zinc/16/61/28/874166128.db2.gz XHGCUQMAHRRCOS-UHFFFAOYSA-N 2 2 378.520 3.814 20 0 GHADLP Cn1c(NC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)cc2ccccc21 ZINC001198019303 874166136 /nfs/dbraw/zinc/16/61/36/874166136.db2.gz XHGCUQMAHRRCOS-UHFFFAOYSA-N 2 2 378.520 3.814 20 0 GHADLP Cc1ccc(CNC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)c(F)c1F ZINC001198036879 874192148 /nfs/dbraw/zinc/19/21/48/874192148.db2.gz PXPJVNUDJAZMNL-UHFFFAOYSA-N 2 2 389.490 3.587 20 0 GHADLP Cc1ccc(CNC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)c(F)c1F ZINC001198036879 874192152 /nfs/dbraw/zinc/19/21/52/874192152.db2.gz PXPJVNUDJAZMNL-UHFFFAOYSA-N 2 2 389.490 3.587 20 0 GHADLP O[C@H](C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21)C[N@@H+]1CCc2ccccc2C1 ZINC000550898005 882803406 /nfs/dbraw/zinc/80/34/06/882803406.db2.gz OFXSPKRVKYTOPN-XXBNENTESA-N 2 2 375.516 3.554 20 0 GHADLP O[C@H](C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21)C[N@H+]1CCc2ccccc2C1 ZINC000550898005 882803425 /nfs/dbraw/zinc/80/34/25/882803425.db2.gz OFXSPKRVKYTOPN-XXBNENTESA-N 2 2 375.516 3.554 20 0 GHADLP C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177504932 882809171 /nfs/dbraw/zinc/80/91/71/882809171.db2.gz SFJWAGSNDJQZMB-BBWFWOEESA-N 2 2 378.561 3.639 20 0 GHADLP C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177504932 882809179 /nfs/dbraw/zinc/80/91/79/882809179.db2.gz SFJWAGSNDJQZMB-BBWFWOEESA-N 2 2 378.561 3.639 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1cccc2ccccc21 ZINC000448979012 874282134 /nfs/dbraw/zinc/28/21/34/874282134.db2.gz ZUVYFVDLTXENDK-UHFFFAOYSA-N 2 2 381.564 3.602 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1cccc2ccccc21 ZINC000448979012 874282144 /nfs/dbraw/zinc/28/21/44/874282144.db2.gz ZUVYFVDLTXENDK-UHFFFAOYSA-N 2 2 381.564 3.602 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4ccccc4)CCCCCC3)CC2)CC1 ZINC000528315098 874365426 /nfs/dbraw/zinc/36/54/26/874365426.db2.gz KWVYOBHOPCWSKE-UHFFFAOYSA-N 2 2 397.607 3.953 20 0 GHADLP C[C@H]([NH2+]Cc1ccnn1C1CCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000449130770 874516602 /nfs/dbraw/zinc/51/66/02/874516602.db2.gz HSLBHIPRNPNNEQ-KRWDZBQOSA-N 2 2 385.531 3.740 20 0 GHADLP CC[N@H+](CCC(=O)NCC1CCCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464811610 874535266 /nfs/dbraw/zinc/53/52/66/874535266.db2.gz RUNBEFUOGIMNGB-UHFFFAOYSA-N 2 2 386.584 3.707 20 0 GHADLP CC[N@@H+](CCC(=O)NCC1CCCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464811610 874535272 /nfs/dbraw/zinc/53/52/72/874535272.db2.gz RUNBEFUOGIMNGB-UHFFFAOYSA-N 2 2 386.584 3.707 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000449194223 874567650 /nfs/dbraw/zinc/56/76/50/874567650.db2.gz UGWFUKGZWOZSAL-SFTDATJTSA-N 3 2 379.633 3.633 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cc1 ZINC000449217923 874607894 /nfs/dbraw/zinc/60/78/94/874607894.db2.gz CUPKIBSMKIIVNV-IBGZPJMESA-N 2 2 395.547 3.709 20 0 GHADLP C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841540 874615016 /nfs/dbraw/zinc/61/50/16/874615016.db2.gz YJEIQKQVYVOFAQ-RJGXRXQPSA-N 2 2 383.580 3.622 20 0 GHADLP C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841540 874615028 /nfs/dbraw/zinc/61/50/28/874615028.db2.gz YJEIQKQVYVOFAQ-RJGXRXQPSA-N 2 2 383.580 3.622 20 0 GHADLP C[NH+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841540 874615036 /nfs/dbraw/zinc/61/50/36/874615036.db2.gz YJEIQKQVYVOFAQ-RJGXRXQPSA-N 2 2 383.580 3.622 20 0 GHADLP C[NH+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841540 874615047 /nfs/dbraw/zinc/61/50/47/874615047.db2.gz YJEIQKQVYVOFAQ-RJGXRXQPSA-N 2 2 383.580 3.622 20 0 GHADLP Ic1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000770376073 874616083 /nfs/dbraw/zinc/61/60/83/874616083.db2.gz UMZLCTWSUWARHJ-YJBOKZPZSA-N 2 2 396.316 3.740 20 0 GHADLP Ic1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000770376073 874616089 /nfs/dbraw/zinc/61/60/89/874616089.db2.gz UMZLCTWSUWARHJ-YJBOKZPZSA-N 2 2 396.316 3.740 20 0 GHADLP Ic1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000770376073 874616093 /nfs/dbraw/zinc/61/60/93/874616093.db2.gz UMZLCTWSUWARHJ-YJBOKZPZSA-N 2 2 396.316 3.740 20 0 GHADLP Ic1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000770376073 874616096 /nfs/dbraw/zinc/61/60/96/874616096.db2.gz UMZLCTWSUWARHJ-YJBOKZPZSA-N 2 2 396.316 3.740 20 0 GHADLP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc2[nH+]ccn21 ZINC000770418400 874659677 /nfs/dbraw/zinc/65/96/77/874659677.db2.gz KFVOGOBMVWUAFP-UHFFFAOYSA-N 2 2 390.409 3.557 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C/C=C\c3ccc(Cl)cc3)C2)CC1 ZINC000449493647 874927091 /nfs/dbraw/zinc/92/70/91/874927091.db2.gz FHDDBKBKOPKFPU-NFOFNSIRSA-N 2 2 389.971 3.619 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C/C=C\c3ccc(Cl)cc3)C2)CC1 ZINC000449493647 874927102 /nfs/dbraw/zinc/92/71/02/874927102.db2.gz FHDDBKBKOPKFPU-NFOFNSIRSA-N 2 2 389.971 3.619 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C/C=C\c3ccc(Cl)cc3)C2)CC1 ZINC000449493647 874927110 /nfs/dbraw/zinc/92/71/10/874927110.db2.gz FHDDBKBKOPKFPU-NFOFNSIRSA-N 2 2 389.971 3.619 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C/C=C\c3ccc(Cl)cc3)C2)CC1 ZINC000449493647 874927120 /nfs/dbraw/zinc/92/71/20/874927120.db2.gz FHDDBKBKOPKFPU-NFOFNSIRSA-N 2 2 389.971 3.619 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4ncccc4c3)CC2)cc1 ZINC000449519984 874992666 /nfs/dbraw/zinc/99/26/66/874992666.db2.gz DQTGMBAZGIRJBG-UHFFFAOYSA-N 2 2 388.515 3.947 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)Cc3ccc(F)cc3)CC2)cc1 ZINC000449524505 875000799 /nfs/dbraw/zinc/00/07/99/875000799.db2.gz OHMZGQSEJWCWRC-QGZVFWFLSA-N 2 2 383.511 3.969 20 0 GHADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2csc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000623398592 875306707 /nfs/dbraw/zinc/30/67/07/875306707.db2.gz KEYQAVRVNJNWTH-QGZVFWFLSA-N 2 2 383.483 3.845 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000449966731 875716670 /nfs/dbraw/zinc/71/66/70/875716670.db2.gz RJBNODNKMUQNKM-FGZHOGPDSA-N 2 2 383.580 3.637 20 0 GHADLP CC(C)=CCC[C@H](C)CC[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001201971493 875959820 /nfs/dbraw/zinc/95/98/20/875959820.db2.gz FFEPOTXDUKDRKI-LEWJYISDSA-N 2 2 387.616 3.780 20 0 GHADLP CC(C)=CCC[C@H](C)CC[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001201971493 875959821 /nfs/dbraw/zinc/95/98/21/875959821.db2.gz FFEPOTXDUKDRKI-LEWJYISDSA-N 2 2 387.616 3.780 20 0 GHADLP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001201971495 875960034 /nfs/dbraw/zinc/96/00/34/875960034.db2.gz FFEPOTXDUKDRKI-NHCUHLMSSA-N 2 2 387.616 3.780 20 0 GHADLP CC(C)=CCC[C@@H](C)CC[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001201971495 875960040 /nfs/dbraw/zinc/96/00/40/875960040.db2.gz FFEPOTXDUKDRKI-NHCUHLMSSA-N 2 2 387.616 3.780 20 0 GHADLP CC[C@H](CC(F)(F)F)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450225604 876114332 /nfs/dbraw/zinc/11/43/32/876114332.db2.gz HCDVCACPZDGAPI-NJAFHUGGSA-N 2 2 391.522 3.761 20 0 GHADLP CC[C@H](CC(F)(F)F)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450225604 876114334 /nfs/dbraw/zinc/11/43/34/876114334.db2.gz HCDVCACPZDGAPI-NJAFHUGGSA-N 2 2 391.522 3.761 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000179456042 883000211 /nfs/dbraw/zinc/00/02/11/883000211.db2.gz MTLWDGPDFQAGPZ-JTSKRJEESA-N 2 2 394.494 3.918 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000179456042 883000227 /nfs/dbraw/zinc/00/02/27/883000227.db2.gz MTLWDGPDFQAGPZ-JTSKRJEESA-N 2 2 394.494 3.918 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(F)c(F)c1 ZINC000173353664 876336689 /nfs/dbraw/zinc/33/66/89/876336689.db2.gz VKTJCLAUMMLLAF-MRXNPFEDSA-N 2 2 376.447 3.527 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2cccc3[nH+]ccn32)c1 ZINC000537657243 883025811 /nfs/dbraw/zinc/02/58/11/883025811.db2.gz KWPNPEPDOSJTHM-MRXNPFEDSA-N 2 2 395.482 3.898 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCc2cccc3[nH+]ccn32)c1 ZINC000537657243 883025830 /nfs/dbraw/zinc/02/58/30/883025830.db2.gz KWPNPEPDOSJTHM-MRXNPFEDSA-N 2 2 395.482 3.898 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1Cl ZINC000850512321 876983643 /nfs/dbraw/zinc/98/36/43/876983643.db2.gz ALFBDFHPLXLTBE-DOTOQJQBSA-N 2 2 387.911 3.664 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1Cl ZINC000850512321 876983649 /nfs/dbraw/zinc/98/36/49/876983649.db2.gz ALFBDFHPLXLTBE-DOTOQJQBSA-N 2 2 387.911 3.664 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000850531917 877003355 /nfs/dbraw/zinc/00/33/55/877003355.db2.gz OBADJMVKERCUNA-FGTMMUONSA-N 2 2 391.462 3.661 20 0 GHADLP CC[N@H+](CCCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183051782 912223062 /nfs/dbraw/zinc/22/30/62/912223062.db2.gz YOKNKQSCJZGZHD-SFHVURJKSA-N 2 2 398.551 3.555 20 0 GHADLP CC[N@@H+](CCCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183051782 912223084 /nfs/dbraw/zinc/22/30/84/912223084.db2.gz YOKNKQSCJZGZHD-SFHVURJKSA-N 2 2 398.551 3.555 20 0 GHADLP CC[N@H+](CCCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183051782 912223109 /nfs/dbraw/zinc/22/31/09/912223109.db2.gz YOKNKQSCJZGZHD-SFHVURJKSA-N 2 2 398.551 3.555 20 0 GHADLP CC[N@@H+](CCCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183051782 912223129 /nfs/dbraw/zinc/22/31/29/912223129.db2.gz YOKNKQSCJZGZHD-SFHVURJKSA-N 2 2 398.551 3.555 20 0 GHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000530566141 878073538 /nfs/dbraw/zinc/07/35/38/878073538.db2.gz XQWOUGDCYXLIHT-RTWAWAEBSA-N 2 2 381.520 3.587 20 0 GHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000530566141 878073551 /nfs/dbraw/zinc/07/35/51/878073551.db2.gz XQWOUGDCYXLIHT-RTWAWAEBSA-N 2 2 381.520 3.587 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000245575204 878132820 /nfs/dbraw/zinc/13/28/20/878132820.db2.gz HOJPKOQBWNDZOF-RZFNWQHOSA-N 2 2 380.536 3.814 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000245575204 878132828 /nfs/dbraw/zinc/13/28/28/878132828.db2.gz HOJPKOQBWNDZOF-RZFNWQHOSA-N 2 2 380.536 3.814 20 0 GHADLP C[N@@H+]1CCO[C@@H]([C@@H](NC2CC[NH+](C3CCCC3)CC2)c2ccc(Cl)cc2)C1 ZINC000245626586 878234419 /nfs/dbraw/zinc/23/44/19/878234419.db2.gz YQKLPSAGHVLBBP-YADHBBJMSA-N 2 2 391.987 3.708 20 0 GHADLP C[N@H+]1CCO[C@@H]([C@@H](NC2CC[NH+](C3CCCC3)CC2)c2ccc(Cl)cc2)C1 ZINC000245626586 878234432 /nfs/dbraw/zinc/23/44/32/878234432.db2.gz YQKLPSAGHVLBBP-YADHBBJMSA-N 2 2 391.987 3.708 20 0 GHADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H](NCC[N@@H+]2CCc4ccccc4C2)C3)cc1 ZINC000245657345 878299132 /nfs/dbraw/zinc/29/91/32/878299132.db2.gz DWRJBKJTQNKBNR-MPIKPJSNSA-N 2 2 375.560 3.830 20 0 GHADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H](NCC[N@H+]2CCc4ccccc4C2)C3)cc1 ZINC000245657345 878299146 /nfs/dbraw/zinc/29/91/46/878299146.db2.gz DWRJBKJTQNKBNR-MPIKPJSNSA-N 2 2 375.560 3.830 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCC[NH+]2CCc4ccccc4C2)C3)cc1 ZINC000245657345 878299163 /nfs/dbraw/zinc/29/91/63/878299163.db2.gz DWRJBKJTQNKBNR-MPIKPJSNSA-N 2 2 375.560 3.830 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCC[NH+]2CCc4ccccc4C2)C3)cc1 ZINC000245657345 878299185 /nfs/dbraw/zinc/29/91/85/878299185.db2.gz DWRJBKJTQNKBNR-MPIKPJSNSA-N 2 2 375.560 3.830 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001183238993 912350924 /nfs/dbraw/zinc/35/09/24/912350924.db2.gz RCRMWRQZYGAEOD-KDOFPFPSSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001183238993 912350944 /nfs/dbraw/zinc/35/09/44/912350944.db2.gz RCRMWRQZYGAEOD-KDOFPFPSSA-N 2 2 394.357 3.773 20 0 GHADLP CCCC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)Nc1cc(C)on1 ZINC000177482954 878724072 /nfs/dbraw/zinc/72/40/72/878724072.db2.gz KKNCCRNMBZKRHE-LJQANCHMSA-N 2 2 376.545 3.867 20 0 GHADLP Fc1ccc(C2OCCO2)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853092556 878809949 /nfs/dbraw/zinc/80/99/49/878809949.db2.gz AMIBSNOQMDZWMQ-HNNXBMFYSA-N 2 2 382.907 3.736 20 0 GHADLP Fc1ccc(C2OCCO2)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853092556 878809962 /nfs/dbraw/zinc/80/99/62/878809962.db2.gz AMIBSNOQMDZWMQ-HNNXBMFYSA-N 2 2 382.907 3.736 20 0 GHADLP CC1CC[NH+]([C@H](CNC(=O)NCc2ccn3cc[nH+]c3c2)c2cccs2)CC1 ZINC000177907015 878911401 /nfs/dbraw/zinc/91/14/01/878911401.db2.gz IOMINHNDAKKIPQ-GOSISDBHSA-N 2 2 397.548 3.668 20 0 GHADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246426730 879552291 /nfs/dbraw/zinc/55/22/91/879552291.db2.gz CLBCALMNTQMZHJ-COPCDDAFSA-N 2 2 399.579 3.601 20 0 GHADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246426730 879552306 /nfs/dbraw/zinc/55/23/06/879552306.db2.gz CLBCALMNTQMZHJ-COPCDDAFSA-N 2 2 399.579 3.601 20 0 GHADLP CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246426730 879552313 /nfs/dbraw/zinc/55/23/13/879552313.db2.gz CLBCALMNTQMZHJ-COPCDDAFSA-N 2 2 399.579 3.601 20 0 GHADLP CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246426730 879552320 /nfs/dbraw/zinc/55/23/20/879552320.db2.gz CLBCALMNTQMZHJ-COPCDDAFSA-N 2 2 399.579 3.601 20 0 GHADLP CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246542705 879666219 /nfs/dbraw/zinc/66/62/19/879666219.db2.gz JYUVUPXAZZOEJI-JZWVFAODSA-N 2 2 387.543 3.588 20 0 GHADLP CC(C)[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246542705 879666224 /nfs/dbraw/zinc/66/62/24/879666224.db2.gz JYUVUPXAZZOEJI-JZWVFAODSA-N 2 2 387.543 3.588 20 0 GHADLP CC(C)[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246542705 879666237 /nfs/dbraw/zinc/66/62/37/879666237.db2.gz JYUVUPXAZZOEJI-JZWVFAODSA-N 2 2 387.543 3.588 20 0 GHADLP CC(C)[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246542705 879666251 /nfs/dbraw/zinc/66/62/51/879666251.db2.gz JYUVUPXAZZOEJI-JZWVFAODSA-N 2 2 387.543 3.588 20 0 GHADLP C[C@H](CCc1ccc2c(c1)OCO2)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538589079 879801881 /nfs/dbraw/zinc/80/18/81/879801881.db2.gz VENQGRDFTDPISM-QGZVFWFLSA-N 2 2 396.535 3.774 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246823928 879816569 /nfs/dbraw/zinc/81/65/69/879816569.db2.gz NWAGABQCTMBUHD-CFFRYYMNSA-N 2 2 383.580 3.763 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246823928 879816586 /nfs/dbraw/zinc/81/65/86/879816586.db2.gz NWAGABQCTMBUHD-CFFRYYMNSA-N 2 2 383.580 3.763 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246823928 879816593 /nfs/dbraw/zinc/81/65/93/879816593.db2.gz NWAGABQCTMBUHD-CFFRYYMNSA-N 2 2 383.580 3.763 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246823928 879816597 /nfs/dbraw/zinc/81/65/97/879816597.db2.gz NWAGABQCTMBUHD-CFFRYYMNSA-N 2 2 383.580 3.763 20 0 GHADLP C[C@@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000247150403 879931468 /nfs/dbraw/zinc/93/14/68/879931468.db2.gz RMJUSDNPWNFIKY-ZFGGDYGUSA-N 3 2 380.580 3.792 20 0 GHADLP C[C@@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000247150403 879931481 /nfs/dbraw/zinc/93/14/81/879931481.db2.gz RMJUSDNPWNFIKY-ZFGGDYGUSA-N 3 2 380.580 3.792 20 0 GHADLP C[C@@H](CC[NH2+][C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000247150403 879931492 /nfs/dbraw/zinc/93/14/92/879931492.db2.gz RMJUSDNPWNFIKY-ZFGGDYGUSA-N 3 2 380.580 3.792 20 0 GHADLP C[C@@H](CC[NH2+][C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000247150403 879931501 /nfs/dbraw/zinc/93/15/01/879931501.db2.gz RMJUSDNPWNFIKY-ZFGGDYGUSA-N 3 2 380.580 3.792 20 0 GHADLP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000183608099 880126582 /nfs/dbraw/zinc/12/65/82/880126582.db2.gz IEJHUSCOEJGKIK-ROUUACIJSA-N 2 2 392.503 3.524 20 0 GHADLP CCc1cccnc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453325439 880796867 /nfs/dbraw/zinc/79/68/67/880796867.db2.gz MGFSYGFPJHTDGR-QGZVFWFLSA-N 2 2 380.536 3.918 20 0 GHADLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000186406978 880878689 /nfs/dbraw/zinc/87/86/89/880878689.db2.gz NYASHYHWZREBJP-OLMNPRSZSA-N 2 2 392.425 3.590 20 0 GHADLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000186406978 880878697 /nfs/dbraw/zinc/87/86/97/880878697.db2.gz NYASHYHWZREBJP-OLMNPRSZSA-N 2 2 392.425 3.590 20 0 GHADLP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(Cl)cccc1Cl ZINC001275207633 912621738 /nfs/dbraw/zinc/62/17/38/912621738.db2.gz WHODBBJZXXTBJK-IBGZPJMESA-N 2 2 384.351 3.512 20 0 GHADLP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(Cl)cccc1Cl ZINC001275207633 912621745 /nfs/dbraw/zinc/62/17/45/912621745.db2.gz WHODBBJZXXTBJK-IBGZPJMESA-N 2 2 384.351 3.512 20 0 GHADLP Cc1cc(Br)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000453562536 881011505 /nfs/dbraw/zinc/01/15/05/881011505.db2.gz BYSQMGQTLCVVQL-HOTGVXAUSA-N 2 2 387.387 3.677 20 0 GHADLP O=[S@](CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccccc1 ZINC000475752780 883202725 /nfs/dbraw/zinc/20/27/25/883202725.db2.gz WEYZSPVQPYKTGS-YIXXDRMTSA-N 2 2 382.573 3.782 20 0 GHADLP O=[S@](CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccccc1 ZINC000475752780 883202739 /nfs/dbraw/zinc/20/27/39/883202739.db2.gz WEYZSPVQPYKTGS-YIXXDRMTSA-N 2 2 382.573 3.782 20 0 GHADLP O=[S@](CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000475752780 883202755 /nfs/dbraw/zinc/20/27/55/883202755.db2.gz WEYZSPVQPYKTGS-YIXXDRMTSA-N 2 2 382.573 3.782 20 0 GHADLP O=[S@](CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000475752780 883202772 /nfs/dbraw/zinc/20/27/72/883202772.db2.gz WEYZSPVQPYKTGS-YIXXDRMTSA-N 2 2 382.573 3.782 20 0 GHADLP CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1OCC ZINC000193549895 883341140 /nfs/dbraw/zinc/34/11/40/883341140.db2.gz WJEZNFJLLFNABR-PGRDOPGGSA-N 2 2 398.547 3.554 20 0 GHADLP CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1OCC ZINC000193549895 883341151 /nfs/dbraw/zinc/34/11/51/883341151.db2.gz WJEZNFJLLFNABR-PGRDOPGGSA-N 2 2 398.547 3.554 20 0 GHADLP Brc1ccccc1-c1noc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)n1 ZINC000190786086 884122967 /nfs/dbraw/zinc/12/29/67/884122967.db2.gz BEQUJOSXGWREIK-HNNXBMFYSA-N 2 2 388.269 3.533 20 0 GHADLP Brc1ccccc1-c1noc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)n1 ZINC000190786086 884122980 /nfs/dbraw/zinc/12/29/80/884122980.db2.gz BEQUJOSXGWREIK-HNNXBMFYSA-N 2 2 388.269 3.533 20 0 GHADLP C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001170499695 884390346 /nfs/dbraw/zinc/39/03/46/884390346.db2.gz FNXRKFQQJGMXHG-IBGZPJMESA-N 2 2 399.966 3.883 20 0 GHADLP C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001170499695 884390366 /nfs/dbraw/zinc/39/03/66/884390366.db2.gz FNXRKFQQJGMXHG-IBGZPJMESA-N 2 2 399.966 3.883 20 0 GHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000498598465 884990439 /nfs/dbraw/zinc/99/04/39/884990439.db2.gz RPGWJFASBIOKGP-LEWJYISDSA-N 2 2 381.520 3.587 20 0 GHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cnn(-c2ccccc2)c1 ZINC000777201064 885657928 /nfs/dbraw/zinc/65/79/28/885657928.db2.gz RXEGAQJUGZURMK-SFHVURJKSA-N 2 2 390.535 3.971 20 0 GHADLP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000495432760 885779518 /nfs/dbraw/zinc/77/95/18/885779518.db2.gz LBJBRIICBYISDO-BVYCBKJFSA-N 2 2 387.568 3.508 20 0 GHADLP CC[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000476472466 885962705 /nfs/dbraw/zinc/96/27/05/885962705.db2.gz PXLJYADXMFPUGJ-RYFAJOAYSA-N 2 2 377.617 3.998 20 0 GHADLP CC[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000476472466 885962716 /nfs/dbraw/zinc/96/27/16/885962716.db2.gz PXLJYADXMFPUGJ-RYFAJOAYSA-N 2 2 377.617 3.998 20 0 GHADLP CC(=O)N1CC[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccc2C1 ZINC000537607096 886122658 /nfs/dbraw/zinc/12/26/58/886122658.db2.gz QXZIAZWXKVPLMX-HSZRJFAPSA-N 2 2 388.515 3.557 20 0 GHADLP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000862272337 886272170 /nfs/dbraw/zinc/27/21/70/886272170.db2.gz IFXXZHLAPTYTDM-LSDHHAIUSA-N 2 2 386.487 3.532 20 0 GHADLP C[C@@H](c1ccco1)[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000119246591 886554406 /nfs/dbraw/zinc/55/44/06/886554406.db2.gz BRMWJLBCBBHXHV-KRWDZBQOSA-N 2 2 399.560 3.993 20 0 GHADLP C[C@@H](c1ccco1)[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000119246591 886554420 /nfs/dbraw/zinc/55/44/20/886554420.db2.gz BRMWJLBCBBHXHV-KRWDZBQOSA-N 2 2 399.560 3.993 20 0 GHADLP CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000132157428 886707671 /nfs/dbraw/zinc/70/76/71/886707671.db2.gz VUDTZKSJGDFBIY-HXUWFJFHSA-N 2 2 377.488 3.986 20 0 GHADLP Cc1cc(F)ccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000119579351 886765570 /nfs/dbraw/zinc/76/55/70/886765570.db2.gz VYCOAPIDBOKSGW-NHCUHLMSSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cc(F)ccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000119579351 886765580 /nfs/dbraw/zinc/76/55/80/886765580.db2.gz VYCOAPIDBOKSGW-NHCUHLMSSA-N 2 2 390.547 3.935 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1C ZINC000057613254 886770594 /nfs/dbraw/zinc/77/05/94/886770594.db2.gz MZOIVRYOKXNGPM-QGZVFWFLSA-N 2 2 376.545 3.503 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1C ZINC000057613254 886770608 /nfs/dbraw/zinc/77/06/08/886770608.db2.gz MZOIVRYOKXNGPM-QGZVFWFLSA-N 2 2 376.545 3.503 20 0 GHADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000237757756 886987907 /nfs/dbraw/zinc/98/79/07/886987907.db2.gz MIMPUNUZQGUANL-IYHXRUFHSA-N 2 2 393.934 3.653 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cccc(OC(F)(F)F)c3)[nH+]c2)CC1 ZINC000532675055 887612592 /nfs/dbraw/zinc/61/25/92/887612592.db2.gz MZBLSQIPIKOAPY-UHFFFAOYSA-N 2 2 394.441 3.545 20 0 GHADLP COc1cccc([C@@H](CNc2nc(C)[nH+]c(C)c2Br)[NH+](C)C)c1 ZINC000322889716 887656099 /nfs/dbraw/zinc/65/60/99/887656099.db2.gz MPTRJMPLEHSBRI-OAHLLOKOSA-N 2 2 379.302 3.579 20 0 GHADLP Cc1cc(NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(C)c[nH+]1 ZINC000536618270 887668800 /nfs/dbraw/zinc/66/88/00/887668800.db2.gz IYKSXFOGAXYJQU-UHFFFAOYSA-N 2 2 378.520 3.640 20 0 GHADLP Cc1cc(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(C)c[nH+]1 ZINC000536618270 887668814 /nfs/dbraw/zinc/66/88/14/887668814.db2.gz IYKSXFOGAXYJQU-UHFFFAOYSA-N 2 2 378.520 3.640 20 0 GHADLP CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@H]1Sc1ccccc1 ZINC000459372717 887795109 /nfs/dbraw/zinc/79/51/09/887795109.db2.gz JOPVFPVBRSOTGR-TUNNFDKTSA-N 2 2 383.561 3.978 20 0 GHADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000810218244 888296476 /nfs/dbraw/zinc/29/64/76/888296476.db2.gz HOZPJXYTUKLUFC-GGPKGHCWSA-N 2 2 390.572 3.575 20 0 GHADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000810218244 888296487 /nfs/dbraw/zinc/29/64/87/888296487.db2.gz HOZPJXYTUKLUFC-GGPKGHCWSA-N 2 2 390.572 3.575 20 0 GHADLP C[C@H]([NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000865524027 888407268 /nfs/dbraw/zinc/40/72/68/888407268.db2.gz HJVIJTHMZZXYHW-HOTGVXAUSA-N 2 2 389.544 3.566 20 0 GHADLP C[C@H]([NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000865524027 888407274 /nfs/dbraw/zinc/40/72/74/888407274.db2.gz HJVIJTHMZZXYHW-HOTGVXAUSA-N 2 2 389.544 3.566 20 0 GHADLP CC(C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000459381717 888605981 /nfs/dbraw/zinc/60/59/81/888605981.db2.gz CWDFPVLBPICLKE-XMMPIXPASA-N 3 2 378.564 3.723 20 0 GHADLP CC(C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000459381717 888605985 /nfs/dbraw/zinc/60/59/85/888605985.db2.gz CWDFPVLBPICLKE-XMMPIXPASA-N 3 2 378.564 3.723 20 0 GHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000810666409 888754452 /nfs/dbraw/zinc/75/44/52/888754452.db2.gz MUULBNBXQHQMCI-HSZRJFAPSA-N 2 2 389.499 3.682 20 0 GHADLP C[C@@H](C(=O)Nc1cccnc1Cl)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121832380 889164095 /nfs/dbraw/zinc/16/40/95/889164095.db2.gz NJQOALASPCLZGL-INIZCTEOSA-N 2 2 378.948 3.650 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Br)ccc2OC(F)F)CC[N@@H+]1C ZINC000123913445 889443356 /nfs/dbraw/zinc/44/33/56/889443356.db2.gz YDJXLJSABDZUGN-BXUZGUMPSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Br)ccc2OC(F)F)CC[N@H+]1C ZINC000123913445 889443359 /nfs/dbraw/zinc/44/33/59/889443359.db2.gz YDJXLJSABDZUGN-BXUZGUMPSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Br)ccc2OC(F)F)CC[NH+]1C ZINC000123913445 889443363 /nfs/dbraw/zinc/44/33/63/889443363.db2.gz YDJXLJSABDZUGN-BXUZGUMPSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Br)ccc2OC(F)F)CC[NH+]1C ZINC000123913445 889443364 /nfs/dbraw/zinc/44/33/64/889443364.db2.gz YDJXLJSABDZUGN-BXUZGUMPSA-N 2 2 377.273 3.965 20 0 GHADLP CSc1ccc([C@H](CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)[NH+](C)C)cc1 ZINC000454665960 889487813 /nfs/dbraw/zinc/48/78/13/889487813.db2.gz DYWWMOOZGIYISF-SFHVURJKSA-N 2 2 383.521 3.789 20 0 GHADLP CC(C)c1nc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000124589214 889685694 /nfs/dbraw/zinc/68/56/94/889685694.db2.gz QMZYBQVJSBYDST-OALUTQOASA-N 2 2 392.613 3.676 20 0 GHADLP CC(C)c1nc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000124589214 889685702 /nfs/dbraw/zinc/68/57/02/889685702.db2.gz QMZYBQVJSBYDST-OALUTQOASA-N 2 2 392.613 3.676 20 0 GHADLP CN(C(=O)c1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124597554 889688696 /nfs/dbraw/zinc/68/86/96/889688696.db2.gz JBXWIFZWOCIACS-UXHICEINSA-N 2 2 377.960 3.749 20 0 GHADLP CN(C(=O)c1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124597554 889688706 /nfs/dbraw/zinc/68/87/06/889688706.db2.gz JBXWIFZWOCIACS-UXHICEINSA-N 2 2 377.960 3.749 20 0 GHADLP Cc1cc(F)ccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124673026 889719001 /nfs/dbraw/zinc/71/90/01/889719001.db2.gz JBKATYOCFUHUPR-RTWAWAEBSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1cc(F)ccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124673026 889719012 /nfs/dbraw/zinc/71/90/12/889719012.db2.gz JBKATYOCFUHUPR-RTWAWAEBSA-N 2 2 375.532 3.543 20 0 GHADLP C[C@H](Cc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124871773 889798613 /nfs/dbraw/zinc/79/86/13/889798613.db2.gz GRGQNKRMIDEEIU-WTIAFYNJSA-N 2 2 385.596 3.661 20 0 GHADLP C[C@H](Cc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124871773 889798619 /nfs/dbraw/zinc/79/86/19/889798619.db2.gz GRGQNKRMIDEEIU-WTIAFYNJSA-N 2 2 385.596 3.661 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(N2CCCNC2=O)cc1 ZINC000812801587 890995506 /nfs/dbraw/zinc/99/55/06/890995506.db2.gz WLGVBBXNHHOIJK-QGZVFWFLSA-N 2 2 375.476 3.643 20 0 GHADLP Cc1cccc(N2CC[NH+](CCCNC(=O)Nc3c(C)cc(C)[nH+]c3C)CC2)c1 ZINC000455471368 890996015 /nfs/dbraw/zinc/99/60/15/890996015.db2.gz IOIVRBFCULKIIJ-UHFFFAOYSA-N 2 2 395.551 3.649 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](O)c3c(F)cccc3Cl)CC2)cc1 ZINC000812834593 891019279 /nfs/dbraw/zinc/01/92/79/891019279.db2.gz BAXPJGUVUCRWFV-FQEVSTJZSA-N 2 2 391.918 3.837 20 0 GHADLP CN(C(=O)c1ccc2[nH]ccc2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649746 891046954 /nfs/dbraw/zinc/04/69/54/891046954.db2.gz ZXYFFMMPEICRNP-VXKWHMMOSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1ccc2[nH]ccc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649746 891046965 /nfs/dbraw/zinc/04/69/65/891046965.db2.gz ZXYFFMMPEICRNP-VXKWHMMOSA-N 2 2 382.552 3.577 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@H](C(C)(C)C)C3)CC2)cc1 ZINC000872075582 891141682 /nfs/dbraw/zinc/14/16/82/891141682.db2.gz DVCBQGIBPMSIRB-YADHBBJMSA-N 2 2 387.568 3.793 20 0 GHADLP C[C@@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1cn2c([nH+]1)CCCC2 ZINC000813325701 891488173 /nfs/dbraw/zinc/48/81/73/891488173.db2.gz JGHNOYBZCZMPFW-RBUKOAKNSA-N 2 2 382.552 3.770 20 0 GHADLP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000825704061 891896691 /nfs/dbraw/zinc/89/66/91/891896691.db2.gz BWQIFMRGLVCLOM-QGZVFWFLSA-N 2 2 390.535 3.744 20 0 GHADLP O=C(NCCCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1)OCc1ccccc1 ZINC000287625558 893015477 /nfs/dbraw/zinc/01/54/77/893015477.db2.gz TXIZMJDUHDTUML-UHFFFAOYSA-N 2 2 396.535 3.737 20 0 GHADLP Cc1ccc(-c2ccc(C[NH2+]Cc3cccnc3N3CC[NH+](C)CC3)o2)cc1 ZINC000194603762 893421010 /nfs/dbraw/zinc/42/10/10/893421010.db2.gz RCDZVLDGXCSHOD-UHFFFAOYSA-N 2 2 376.504 3.692 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000815101953 893472958 /nfs/dbraw/zinc/47/29/58/893472958.db2.gz DHPZLPXTELYNCW-WMLDXEAASA-N 2 2 389.765 3.726 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000815101953 893472965 /nfs/dbraw/zinc/47/29/65/893472965.db2.gz DHPZLPXTELYNCW-WMLDXEAASA-N 2 2 389.765 3.726 20 0 GHADLP O=c1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)nc(-c2ccccc2)[nH]1 ZINC000459451822 893545066 /nfs/dbraw/zinc/54/50/66/893545066.db2.gz ZKDAFLZSEJQFBJ-UHFFFAOYSA-N 2 2 389.503 3.762 20 0 GHADLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(-c4nc5ccccc5s4)o3)CC2)CC1 ZINC000877747691 893787614 /nfs/dbraw/zinc/78/76/14/893787614.db2.gz YGEURDVFNXKEHD-UHFFFAOYSA-N 2 2 396.560 3.768 20 0 GHADLP CC(C)[C@H](CNC1CC[NH+](Cc2ccccn2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000536879599 894001082 /nfs/dbraw/zinc/00/10/82/894001082.db2.gz YZLYHYREEKQRSS-VWLOTQADSA-N 2 2 392.591 3.719 20 0 GHADLP CC(C)[C@H](CNC1CC[NH+](Cc2ccccn2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000536879599 894001101 /nfs/dbraw/zinc/00/11/01/894001101.db2.gz YZLYHYREEKQRSS-VWLOTQADSA-N 2 2 392.591 3.719 20 0 GHADLP C[N@H+](C[C@H]1CC[C@H](c2ccccc2)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000878171060 894070172 /nfs/dbraw/zinc/07/01/72/894070172.db2.gz YFIXQFXRGJYNJW-DNQXCXABSA-N 2 2 379.548 3.941 20 0 GHADLP C[N@@H+](C[C@H]1CC[C@H](c2ccccc2)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000878171060 894070189 /nfs/dbraw/zinc/07/01/89/894070189.db2.gz YFIXQFXRGJYNJW-DNQXCXABSA-N 2 2 379.548 3.941 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2scnc2Cl)CC1 ZINC000878357647 894220157 /nfs/dbraw/zinc/22/01/57/894220157.db2.gz MLPXNIAYDKYSTM-CYBMUJFWSA-N 2 2 382.936 3.928 20 0 GHADLP c1cc2cc(C[N@H+]3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)ccc2o1 ZINC000564297103 894834984 /nfs/dbraw/zinc/83/49/84/894834984.db2.gz LLLFNXAHGUGUIU-OAQYLSRUSA-N 2 2 390.531 3.862 20 0 GHADLP c1cc2cc(C[N@@H+]3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)ccc2o1 ZINC000564297103 894834995 /nfs/dbraw/zinc/83/49/95/894834995.db2.gz LLLFNXAHGUGUIU-OAQYLSRUSA-N 2 2 390.531 3.862 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001135659325 895006671 /nfs/dbraw/zinc/00/66/71/895006671.db2.gz LEXPAXADHJJPOW-QFIPXVFZSA-N 2 2 391.559 3.793 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001135659325 895006689 /nfs/dbraw/zinc/00/66/89/895006689.db2.gz LEXPAXADHJJPOW-QFIPXVFZSA-N 2 2 391.559 3.793 20 0 GHADLP Cc1nccnc1[C@@H](C)[NH2+]CC(C[NH2+][C@H](C)c1nccnc1C)c1ccccc1 ZINC000880109442 895521964 /nfs/dbraw/zinc/52/19/64/895521964.db2.gz AXPMUSFWLYNRJG-RTBURBONSA-N 2 2 390.535 3.669 20 0 GHADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000880135515 895534656 /nfs/dbraw/zinc/53/46/56/895534656.db2.gz WQLXNLAUCWPGLQ-NHCUHLMSSA-N 2 2 379.504 3.976 20 0 GHADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000880135515 895534662 /nfs/dbraw/zinc/53/46/62/895534662.db2.gz WQLXNLAUCWPGLQ-NHCUHLMSSA-N 2 2 379.504 3.976 20 0 GHADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000880135515 895534668 /nfs/dbraw/zinc/53/46/68/895534668.db2.gz WQLXNLAUCWPGLQ-NHCUHLMSSA-N 2 2 379.504 3.976 20 0 GHADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000880135515 895534676 /nfs/dbraw/zinc/53/46/76/895534676.db2.gz WQLXNLAUCWPGLQ-NHCUHLMSSA-N 2 2 379.504 3.976 20 0 GHADLP CC[C@H](NC(=S)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1cccs1 ZINC000817567945 895738524 /nfs/dbraw/zinc/73/85/24/895738524.db2.gz WZKZPKXCQFHPEK-SFHVURJKSA-N 2 2 394.654 3.566 20 0 GHADLP CC[C@H](NC(=S)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1cccs1 ZINC000817567945 895738538 /nfs/dbraw/zinc/73/85/38/895738538.db2.gz WZKZPKXCQFHPEK-SFHVURJKSA-N 2 2 394.654 3.566 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc4ccc(Br)cc4s3)CC[C@@H]21 ZINC000774911005 914014110 /nfs/dbraw/zinc/01/41/10/914014110.db2.gz DUDLWDOVERPOSK-DOMZBBRYSA-N 2 2 380.355 3.975 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc4ccc(Br)cc4s3)CC[C@@H]21 ZINC000774911005 914014126 /nfs/dbraw/zinc/01/41/26/914014126.db2.gz DUDLWDOVERPOSK-DOMZBBRYSA-N 2 2 380.355 3.975 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc4ccc(Br)cc4s3)CC[C@@H]21 ZINC000774911005 914014142 /nfs/dbraw/zinc/01/41/42/914014142.db2.gz DUDLWDOVERPOSK-DOMZBBRYSA-N 2 2 380.355 3.975 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc4ccc(Br)cc4s3)CC[C@@H]21 ZINC000774911005 914014160 /nfs/dbraw/zinc/01/41/60/914014160.db2.gz DUDLWDOVERPOSK-DOMZBBRYSA-N 2 2 380.355 3.975 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)c1ccccc1Cl ZINC001136034334 895934904 /nfs/dbraw/zinc/93/49/04/895934904.db2.gz VWIRKVRHCAUSTE-GOSISDBHSA-N 2 2 376.932 3.779 20 0 GHADLP COC(OC)c1ccc(F)c(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000818193045 896072187 /nfs/dbraw/zinc/07/21/87/896072187.db2.gz URCIQQIPELYASZ-HXUWFJFHSA-N 2 2 383.467 3.924 20 0 GHADLP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000566171665 896154102 /nfs/dbraw/zinc/15/41/02/896154102.db2.gz ISMOISMUSIPCBD-QGZVFWFLSA-N 2 2 386.565 3.664 20 0 GHADLP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000566171665 896154106 /nfs/dbraw/zinc/15/41/06/896154106.db2.gz ISMOISMUSIPCBD-QGZVFWFLSA-N 2 2 386.565 3.664 20 0 GHADLP CCC1([NH+]2CCCCC2)CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000881629219 896404987 /nfs/dbraw/zinc/40/49/87/896404987.db2.gz UQLOKENNEYXJCM-INIZCTEOSA-N 2 2 386.462 3.634 20 0 GHADLP Cc1ccc([C@H]([NH3+])C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000566915377 896692634 /nfs/dbraw/zinc/69/26/34/896692634.db2.gz XJAOWCYBQOTHKH-PCCBWWKXSA-N 2 2 387.474 3.613 20 0 GHADLP Cc1ccc([C@H]([NH3+])C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000566915377 896692636 /nfs/dbraw/zinc/69/26/36/896692636.db2.gz XJAOWCYBQOTHKH-PCCBWWKXSA-N 2 2 387.474 3.613 20 0 GHADLP CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000566974847 896760000 /nfs/dbraw/zinc/76/00/00/896760000.db2.gz KWVQEYVXFFVWDA-IRLDBZIGSA-N 2 2 398.551 3.608 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ncc(C3OCCO3)s2)C1 ZINC000289268065 914118616 /nfs/dbraw/zinc/11/86/16/914118616.db2.gz NEGCKUSDXDBCQC-INIZCTEOSA-N 2 2 387.549 3.710 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ncc(C3OCCO3)s2)C1 ZINC000289268065 914118624 /nfs/dbraw/zinc/11/86/24/914118624.db2.gz NEGCKUSDXDBCQC-INIZCTEOSA-N 2 2 387.549 3.710 20 0 GHADLP [NH3+]CCCC[C@H]([NH2+][C@@H]1CCc2cccc(F)c2C1)C(=O)OCc1ccccc1 ZINC001170960696 897795424 /nfs/dbraw/zinc/79/54/24/897795424.db2.gz FKPAEBOSLQXQRX-KNQAVFIVSA-N 2 2 384.495 3.514 20 0 GHADLP Brc1ccn2cc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)nc2c1 ZINC000289456059 914196796 /nfs/dbraw/zinc/19/67/96/914196796.db2.gz HMJBKJDRYFJJLD-UHFFFAOYSA-N 2 2 377.330 3.593 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2c[nH+]ccc2Nc2ccccc2)C1 ZINC001136493185 898046702 /nfs/dbraw/zinc/04/67/02/898046702.db2.gz UIVMWDRFKRXEDE-GGPKGHCWSA-N 2 2 378.520 3.725 20 0 GHADLP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC(n4cc[nH+]c4)CC3)c2)CC1 ZINC000103314881 898084033 /nfs/dbraw/zinc/08/40/33/898084033.db2.gz DJAKMFZENQAXMA-UHFFFAOYSA-N 2 2 395.551 3.662 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@H]3c3ccc4ccccc4c3)CC2)CC1 ZINC000108790965 898404444 /nfs/dbraw/zinc/40/44/44/898404444.db2.gz FAIPKDXCEKQCCH-ZEQRLZLVSA-N 2 2 391.559 3.618 20 0 GHADLP CC1CC[NH+](CCCCNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000110069868 898646089 /nfs/dbraw/zinc/64/60/89/898646089.db2.gz UPDWENHNYVJZBH-UHFFFAOYSA-N 2 2 399.539 3.596 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000800221514 898764330 /nfs/dbraw/zinc/76/43/30/898764330.db2.gz NTYOOECLWVYNNH-HUUCEWRRSA-N 2 2 382.574 3.948 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)c1ccccc1Cl ZINC000289689981 914297047 /nfs/dbraw/zinc/29/70/47/914297047.db2.gz DUXMIDMKJTYWEY-OXJNMPFZSA-N 2 2 388.943 3.607 20 0 GHADLP Clc1cccc(N2CCOCC2)c1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000570183933 899181158 /nfs/dbraw/zinc/18/11/58/899181158.db2.gz BJZSMMWBRSUUSP-UHFFFAOYSA-N 2 2 396.922 3.711 20 0 GHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000823684678 899185957 /nfs/dbraw/zinc/18/59/57/899185957.db2.gz ZSEZTSZQSLLCCG-HXUWFJFHSA-N 2 2 380.492 3.773 20 0 GHADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000570646633 899468805 /nfs/dbraw/zinc/46/88/05/899468805.db2.gz IIAQXFNCALIYEJ-NJDAHSKKSA-N 2 2 378.520 3.586 20 0 GHADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000570646633 899468814 /nfs/dbraw/zinc/46/88/14/899468814.db2.gz IIAQXFNCALIYEJ-NJDAHSKKSA-N 2 2 378.520 3.586 20 0 GHADLP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000134061411 899501048 /nfs/dbraw/zinc/50/10/48/899501048.db2.gz DUPNNMLHEHSNSK-APWZRJJASA-N 2 2 386.927 3.879 20 0 GHADLP CC(C)(C)C[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC001171057735 899630821 /nfs/dbraw/zinc/63/08/21/899630821.db2.gz GGLSGBGNXOWJPV-LJQANCHMSA-N 2 2 386.584 3.657 20 0 GHADLP CC(C)(C)C[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC001171057735 899630834 /nfs/dbraw/zinc/63/08/34/899630834.db2.gz GGLSGBGNXOWJPV-LJQANCHMSA-N 2 2 386.584 3.657 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccccc1 ZINC000570842807 899634296 /nfs/dbraw/zinc/63/42/96/899634296.db2.gz SMOXJCBZSLWRCU-RBBKRZOGSA-N 2 2 375.516 3.579 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccccc1 ZINC000570842807 899634302 /nfs/dbraw/zinc/63/43/02/899634302.db2.gz SMOXJCBZSLWRCU-RBBKRZOGSA-N 2 2 375.516 3.579 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cncc4ccccc43)CC2)cc1 ZINC000824904029 899869673 /nfs/dbraw/zinc/86/96/73/899869673.db2.gz RZQUEUZYRURZOT-UHFFFAOYSA-N 2 2 388.515 3.947 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000333184616 900017737 /nfs/dbraw/zinc/01/77/37/900017737.db2.gz SPXFFFVEJYMGFP-WMZOPIPTSA-N 2 2 391.585 3.515 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000825257056 900054144 /nfs/dbraw/zinc/05/41/44/900054144.db2.gz SGMHDKAZPFNNFU-WBVHZDCISA-N 2 2 388.487 3.794 20 0 GHADLP COCOc1ccc(OC)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000135894574 900489765 /nfs/dbraw/zinc/48/97/65/900489765.db2.gz DJENOLQLEJHECD-RXVVDRJESA-N 2 2 384.520 3.821 20 0 GHADLP COCOc1ccc(OC)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000135894574 900489777 /nfs/dbraw/zinc/48/97/77/900489777.db2.gz DJENOLQLEJHECD-RXVVDRJESA-N 2 2 384.520 3.821 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccc3cc[nH]c3n1)CC2 ZINC001144171413 901185482 /nfs/dbraw/zinc/18/54/82/901185482.db2.gz BDULIVGBXPUAFI-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccc3cc[nH]c3n1)CC2 ZINC001144171413 901185490 /nfs/dbraw/zinc/18/54/90/901185490.db2.gz BDULIVGBXPUAFI-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 ZINC000844710442 901185981 /nfs/dbraw/zinc/18/59/81/901185981.db2.gz ULEDQTYXUUHPHL-GOSISDBHSA-N 2 2 382.508 3.604 20 0 GHADLP COc1cc(-c2noc(C[NH+]3CCC(c4[nH]c(C)c(C)[nH+]4)CC3)n2)ccc1C ZINC000886664369 901214127 /nfs/dbraw/zinc/21/41/27/901214127.db2.gz KHXMKFCCMAZELL-UHFFFAOYSA-N 2 2 381.480 3.773 20 0 GHADLP CC[N@@H+](Cc1cccc(C(=O)N(C)C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108944 901250150 /nfs/dbraw/zinc/25/01/50/901250150.db2.gz OSUVGNVZHUOLFC-UHFFFAOYSA-N 2 2 380.536 3.522 20 0 GHADLP CC[N@H+](Cc1cccc(C(=O)N(C)C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108944 901250155 /nfs/dbraw/zinc/25/01/55/901250155.db2.gz OSUVGNVZHUOLFC-UHFFFAOYSA-N 2 2 380.536 3.522 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575744862 901270909 /nfs/dbraw/zinc/27/09/09/901270909.db2.gz FYUCCLFATXHWMY-DYXWJJEUSA-N 2 2 389.902 3.821 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575744862 901270911 /nfs/dbraw/zinc/27/09/11/901270911.db2.gz FYUCCLFATXHWMY-DYXWJJEUSA-N 2 2 389.902 3.821 20 0 GHADLP C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645274 901503037 /nfs/dbraw/zinc/50/30/37/901503037.db2.gz NVAXCLMFLVJMRH-UHFFFAOYSA-N 2 2 393.510 3.750 20 0 GHADLP C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645274 901503042 /nfs/dbraw/zinc/50/30/42/901503042.db2.gz NVAXCLMFLVJMRH-UHFFFAOYSA-N 2 2 393.510 3.750 20 0 GHADLP COC(=O)COc1c(C)cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1C ZINC000577051626 902467065 /nfs/dbraw/zinc/46/70/65/902467065.db2.gz PAQPMBKIQOLRNE-UHFFFAOYSA-N 2 2 399.535 3.744 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000577219279 902594695 /nfs/dbraw/zinc/59/46/95/902594695.db2.gz YZZNEMKWVSFQFS-QVKFZJNVSA-N 2 2 387.474 3.655 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000577219279 902594701 /nfs/dbraw/zinc/59/47/01/902594701.db2.gz YZZNEMKWVSFQFS-QVKFZJNVSA-N 2 2 387.474 3.655 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000778998076 902657263 /nfs/dbraw/zinc/65/72/63/902657263.db2.gz HAJJZXAREVDJAN-UXHICEINSA-N 2 2 384.524 3.656 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc5scnc5c4)CC3)C2)co1 ZINC001144735034 902772359 /nfs/dbraw/zinc/77/23/59/902772359.db2.gz UEZDACHQSINHAK-UHFFFAOYSA-N 2 2 383.517 3.756 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5scnc5c4)CC3)C2)co1 ZINC001144735034 902772365 /nfs/dbraw/zinc/77/23/65/902772365.db2.gz UEZDACHQSINHAK-UHFFFAOYSA-N 2 2 383.517 3.756 20 0 GHADLP Cc1[nH]c2ccc(Nc3cc(I)c4[nH+]ccn4c3)cc2[nH+]1 ZINC001213072290 903072365 /nfs/dbraw/zinc/07/23/65/903072365.db2.gz LXFDYCLIFIUNEE-UHFFFAOYSA-N 2 2 389.200 3.867 20 0 GHADLP CC(C)c1ccoc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000577778092 903175441 /nfs/dbraw/zinc/17/54/41/903175441.db2.gz SFWJLZIVFFURNH-UXHICEINSA-N 2 2 375.557 3.812 20 0 GHADLP CC(C)c1ccoc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000577778092 903175450 /nfs/dbraw/zinc/17/54/50/903175450.db2.gz SFWJLZIVFFURNH-UXHICEINSA-N 2 2 375.557 3.812 20 0 GHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000577782838 903185108 /nfs/dbraw/zinc/18/51/08/903185108.db2.gz OXTJMBYSSMXULG-DNVCBOLYSA-N 2 2 380.458 3.722 20 0 GHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000577782838 903185110 /nfs/dbraw/zinc/18/51/10/903185110.db2.gz OXTJMBYSSMXULG-DNVCBOLYSA-N 2 2 380.458 3.722 20 0 GHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000577782838 903185112 /nfs/dbraw/zinc/18/51/12/903185112.db2.gz OXTJMBYSSMXULG-DNVCBOLYSA-N 2 2 380.458 3.722 20 0 GHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000577782838 903185114 /nfs/dbraw/zinc/18/51/14/903185114.db2.gz OXTJMBYSSMXULG-DNVCBOLYSA-N 2 2 380.458 3.722 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC001146890844 903630647 /nfs/dbraw/zinc/63/06/47/903630647.db2.gz NLEQYSWMTZTZPN-UHFFFAOYSA-N 2 2 379.976 3.542 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC001146890844 903630654 /nfs/dbraw/zinc/63/06/54/903630654.db2.gz NLEQYSWMTZTZPN-UHFFFAOYSA-N 2 2 379.976 3.542 20 0 GHADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2CCc3c(Cl)ccc(OC)c3C2)CC1 ZINC001171320781 903988640 /nfs/dbraw/zinc/98/86/40/903988640.db2.gz LOKBAVBNQLDNMC-ZWKOTPCHSA-N 2 2 392.971 3.781 20 0 GHADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2CCc3c(Cl)ccc(OC)c3C2)CC1 ZINC001171320781 903988650 /nfs/dbraw/zinc/98/86/50/903988650.db2.gz LOKBAVBNQLDNMC-ZWKOTPCHSA-N 2 2 392.971 3.781 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000578598411 903998795 /nfs/dbraw/zinc/99/87/95/903998795.db2.gz ZLRYLIQMALNYHL-UHFFFAOYSA-N 2 2 398.555 3.691 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@H]1CCc3c(F)cc(F)cc3C1)CC2 ZINC001171370559 904371291 /nfs/dbraw/zinc/37/12/91/904371291.db2.gz KZFYYVOQJRHLFC-KRWDZBQOSA-N 2 2 388.506 3.719 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@H]1CCc3c(F)cc(F)cc3C1)CC2 ZINC001171370559 904371305 /nfs/dbraw/zinc/37/13/05/904371305.db2.gz KZFYYVOQJRHLFC-KRWDZBQOSA-N 2 2 388.506 3.719 20 0 GHADLP O=C(c1ccccc1)N1CCC[C@@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001171889621 905124950 /nfs/dbraw/zinc/12/49/50/905124950.db2.gz YXAXVGQAIVPUNB-HXUWFJFHSA-N 2 2 379.504 3.620 20 0 GHADLP CCOC(=O)C1(C)CCC([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)CC1 ZINC001171953191 905158843 /nfs/dbraw/zinc/15/88/43/905158843.db2.gz IFABTMHZPXRCCP-LYGNXSNRSA-N 2 2 390.572 3.612 20 0 GHADLP CCOC(=O)C1(C)CCC([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)CC1 ZINC001171953191 905158850 /nfs/dbraw/zinc/15/88/50/905158850.db2.gz IFABTMHZPXRCCP-LYGNXSNRSA-N 2 2 390.572 3.612 20 0 GHADLP CCOC(=O)C1(C)CCC([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)CC1 ZINC001171953191 905158860 /nfs/dbraw/zinc/15/88/60/905158860.db2.gz IFABTMHZPXRCCP-LYGNXSNRSA-N 2 2 390.572 3.612 20 0 GHADLP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975203 905221148 /nfs/dbraw/zinc/22/11/48/905221148.db2.gz LUTNWGLRQFYXAK-OAQYLSRUSA-N 4 2 388.644 3.905 20 0 GHADLP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975203 905221166 /nfs/dbraw/zinc/22/11/66/905221166.db2.gz LUTNWGLRQFYXAK-OAQYLSRUSA-N 4 2 388.644 3.905 20 0 GHADLP Cc1ccc(N2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)nc1 ZINC001171988531 905253501 /nfs/dbraw/zinc/25/35/01/905253501.db2.gz SVIPBKJFBGVJBB-QFIPXVFZSA-N 2 2 378.564 3.955 20 0 GHADLP Cc1ccc(N2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)nc1 ZINC001171988531 905253517 /nfs/dbraw/zinc/25/35/17/905253517.db2.gz SVIPBKJFBGVJBB-QFIPXVFZSA-N 2 2 378.564 3.955 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC3(C1)CC[N@H+](CC1CC1)C3)C2 ZINC001172097916 905319984 /nfs/dbraw/zinc/31/99/84/905319984.db2.gz VGHDUQMIURBQCY-PMOLBWCYSA-N 2 2 389.584 3.725 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC3(C1)CC[N@@H+](CC1CC1)C3)C2 ZINC001172097916 905320000 /nfs/dbraw/zinc/32/00/00/905320000.db2.gz VGHDUQMIURBQCY-PMOLBWCYSA-N 2 2 389.584 3.725 20 0 GHADLP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CSc4ccccc4C3)CC2)c1 ZINC001172209534 905408271 /nfs/dbraw/zinc/40/82/71/905408271.db2.gz RGNGFMHTUNZADZ-NRFANRHFSA-N 2 2 396.556 3.744 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+]([C@@H]4CSc5ccccc5C4)CC3)C2)co1 ZINC001172199864 905431806 /nfs/dbraw/zinc/43/18/06/905431806.db2.gz HZCMEKMCOZKHMF-FQEVSTJZSA-N 2 2 384.545 3.663 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+]([C@@H]4CSc5ccccc5C4)CC3)C2)co1 ZINC001172199864 905431812 /nfs/dbraw/zinc/43/18/12/905431812.db2.gz HZCMEKMCOZKHMF-FQEVSTJZSA-N 2 2 384.545 3.663 20 0 GHADLP CC(C)COCC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001172467569 905579443 /nfs/dbraw/zinc/57/94/43/905579443.db2.gz LUJWGPAOENHYMQ-AZUAARDMSA-N 2 2 397.604 3.501 20 0 GHADLP CCCCCC[C@H](CCCC)[N@@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001172514261 905609606 /nfs/dbraw/zinc/60/96/06/905609606.db2.gz SHOIFGVEJQKKPJ-QFIPXVFZSA-N 2 2 389.632 3.975 20 0 GHADLP CCCCCC[C@H](CCCC)[N@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001172514261 905609611 /nfs/dbraw/zinc/60/96/11/905609611.db2.gz SHOIFGVEJQKKPJ-QFIPXVFZSA-N 2 2 389.632 3.975 20 0 GHADLP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)CC1 ZINC001172776288 905816241 /nfs/dbraw/zinc/81/62/41/905816241.db2.gz FEQZUQFNNAEZMP-YLJYHZDGSA-N 2 2 376.516 3.810 20 0 GHADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001172922017 905993253 /nfs/dbraw/zinc/99/32/53/905993253.db2.gz FJMDWFIGMKEERJ-KMDXXIMOSA-N 2 2 382.548 3.597 20 0 GHADLP COC(=O)CCCC[C@H](C)[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001173451706 906491874 /nfs/dbraw/zinc/49/18/74/906491874.db2.gz OMCOVEKPKLWKFQ-SFHVURJKSA-N 2 2 399.535 3.787 20 0 GHADLP COC(=O)CCCC[C@H](C)[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001173451706 906491876 /nfs/dbraw/zinc/49/18/76/906491876.db2.gz OMCOVEKPKLWKFQ-SFHVURJKSA-N 2 2 399.535 3.787 20 0 GHADLP COC(=O)CCCC[C@H](C)[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001173451706 906491879 /nfs/dbraw/zinc/49/18/79/906491879.db2.gz OMCOVEKPKLWKFQ-SFHVURJKSA-N 2 2 399.535 3.787 20 0 GHADLP COC(=O)CCCC[C@H](C)[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001173451706 906491885 /nfs/dbraw/zinc/49/18/85/906491885.db2.gz OMCOVEKPKLWKFQ-SFHVURJKSA-N 2 2 399.535 3.787 20 0 GHADLP c1cc(N2CCCCC2)c(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c[nH+]1 ZINC001174433317 907022149 /nfs/dbraw/zinc/02/21/49/907022149.db2.gz VFOCUQFVMVCTGO-UHFFFAOYSA-N 2 2 382.508 3.527 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000181588702 907033289 /nfs/dbraw/zinc/03/32/89/907033289.db2.gz CEWKHPNTYNKUGT-ZWKOTPCHSA-N 2 2 376.508 3.539 20 0 GHADLP C[N@@H+](CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CCC1 ZINC000629956662 907071788 /nfs/dbraw/zinc/07/17/88/907071788.db2.gz ACMCEQKEYHLFBV-UHFFFAOYSA-N 2 2 388.515 3.699 20 0 GHADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001175070042 907365639 /nfs/dbraw/zinc/36/56/39/907365639.db2.gz KLHHXALHZWSCCF-SZPZYZBQSA-N 2 2 386.971 3.975 20 0 GHADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001175070042 907365650 /nfs/dbraw/zinc/36/56/50/907365650.db2.gz KLHHXALHZWSCCF-SZPZYZBQSA-N 2 2 386.971 3.975 20 0 GHADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070042 907365667 /nfs/dbraw/zinc/36/56/67/907365667.db2.gz KLHHXALHZWSCCF-SZPZYZBQSA-N 2 2 386.971 3.975 20 0 GHADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070042 907365685 /nfs/dbraw/zinc/36/56/85/907365685.db2.gz KLHHXALHZWSCCF-SZPZYZBQSA-N 2 2 386.971 3.975 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000773469079 907418658 /nfs/dbraw/zinc/41/86/58/907418658.db2.gz LCZOLUFKZQXEDY-IBGZPJMESA-N 2 2 375.557 3.744 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000773469079 907418663 /nfs/dbraw/zinc/41/86/63/907418663.db2.gz LCZOLUFKZQXEDY-IBGZPJMESA-N 2 2 375.557 3.744 20 0 GHADLP Clc1c(Br)cccc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000631074393 907584181 /nfs/dbraw/zinc/58/41/81/907584181.db2.gz BUMLNSNMRDAGNW-CYBMUJFWSA-N 2 2 387.749 3.693 20 0 GHADLP c1c[nH+]c(Nc2ccc(OCC[NH+]3CCCCC3)cc2)c(N2CCOCC2)c1 ZINC001175799622 907727069 /nfs/dbraw/zinc/72/70/69/907727069.db2.gz LMMSNRNBRYNYQX-UHFFFAOYSA-N 2 2 382.508 3.527 20 0 GHADLP CC[NH+]1CCN(c2ccc(Nc3cccc(C[NH+]4CCOCC4)c3)cc2F)CC1 ZINC001175860013 907801568 /nfs/dbraw/zinc/80/15/68/907801568.db2.gz YQCBRAPJCPMBDK-UHFFFAOYSA-N 2 2 398.526 3.543 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(Nc3ccc(C[NH3+])cc3)cc2)CC1 ZINC001175968399 907843426 /nfs/dbraw/zinc/84/34/26/907843426.db2.gz HJBXAZHXGCRIQX-UHFFFAOYSA-N 2 2 396.535 3.942 20 0 GHADLP c1cc(C[NH+]2CCCC2)cc(Nc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001176195882 907970915 /nfs/dbraw/zinc/97/09/15/907970915.db2.gz QCSLTVUIHOMDOH-UHFFFAOYSA-N 2 2 381.520 3.737 20 0 GHADLP Cc1ccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c(N(C)C)[nH+]1 ZINC000801694313 921393112 /nfs/dbraw/zinc/39/31/12/921393112.db2.gz ZYOZDABIJIUDAN-KRWDZBQOSA-N 2 2 375.904 3.534 20 0 GHADLP Fc1ccc(-n2cc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cn2)cc1 ZINC001177186623 908464047 /nfs/dbraw/zinc/46/40/47/908464047.db2.gz SOQMDFBCRDQQFG-UHFFFAOYSA-N 2 2 378.495 3.808 20 0 GHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Br)o3)c2)CCO1 ZINC000190869102 908537049 /nfs/dbraw/zinc/53/70/49/908537049.db2.gz WPEWBRUBEOIRSD-AWEZNQCLSA-N 2 2 379.298 3.553 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(Br)o3)c2)CCO1 ZINC000190869102 908537056 /nfs/dbraw/zinc/53/70/56/908537056.db2.gz WPEWBRUBEOIRSD-AWEZNQCLSA-N 2 2 379.298 3.553 20 0 GHADLP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(F)cc1I)C(C)(C)C ZINC001177823182 908752152 /nfs/dbraw/zinc/75/21/52/908752152.db2.gz RCSHMAKHGKXYKK-HNNXBMFYSA-N 2 2 392.300 3.886 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3c(F)cccc3N3CCCC3)[nH+]c2)C1 ZINC001178232259 908969282 /nfs/dbraw/zinc/96/92/82/908969282.db2.gz OESRYIWEIDLQFW-SFHVURJKSA-N 2 2 383.515 3.573 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000718062170 909079613 /nfs/dbraw/zinc/07/96/13/909079613.db2.gz LQCPAXNPALUWOJ-NRFANRHFSA-N 2 2 387.568 3.886 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000718062170 909079628 /nfs/dbraw/zinc/07/96/28/909079628.db2.gz LQCPAXNPALUWOJ-NRFANRHFSA-N 2 2 387.568 3.886 20 0 GHADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000635979140 909398709 /nfs/dbraw/zinc/39/87/09/909398709.db2.gz ZIDUZEFXSVQAAK-SJBKTWHCSA-N 2 2 392.547 3.662 20 0 GHADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000635979140 909398724 /nfs/dbraw/zinc/39/87/24/909398724.db2.gz ZIDUZEFXSVQAAK-SJBKTWHCSA-N 2 2 392.547 3.662 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268768057 910005352 /nfs/dbraw/zinc/00/53/52/910005352.db2.gz OPJIRKXNXMTPMP-IBGZPJMESA-N 3 2 378.520 3.723 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(-c3ccccn3)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC001180288705 910075418 /nfs/dbraw/zinc/07/54/18/910075418.db2.gz KOUOTZGDMCDQHA-WIYYLYMNSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(-c3ccccn3)n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC001180288705 910075433 /nfs/dbraw/zinc/07/54/33/910075433.db2.gz KOUOTZGDMCDQHA-WIYYLYMNSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(-c3ccccn3)n[nH]2)CC[NH+]1Cc1ccccc1 ZINC001180288705 910075439 /nfs/dbraw/zinc/07/54/39/910075439.db2.gz KOUOTZGDMCDQHA-WIYYLYMNSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(-c3ccccn3)n[nH]2)CC[NH+]1Cc1ccccc1 ZINC001180288705 910075447 /nfs/dbraw/zinc/07/54/47/910075447.db2.gz KOUOTZGDMCDQHA-WIYYLYMNSA-N 2 2 375.520 3.957 20 0 GHADLP Cc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000269053155 910120010 /nfs/dbraw/zinc/12/00/10/910120010.db2.gz IOZGHYVHKUZKQD-MBSDFSHPSA-N 3 2 393.579 3.562 20 0 GHADLP Cc1cc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000269053155 910120015 /nfs/dbraw/zinc/12/00/15/910120015.db2.gz IOZGHYVHKUZKQD-MBSDFSHPSA-N 3 2 393.579 3.562 20 0 GHADLP CCN(CC)c1ncc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)s1 ZINC000269168975 910170092 /nfs/dbraw/zinc/17/00/92/910170092.db2.gz YGOZNDOUKAZPJR-UHFFFAOYSA-N 2 2 388.585 3.527 20 0 GHADLP FC(F)(F)Cn1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638762824 910227632 /nfs/dbraw/zinc/22/76/32/910227632.db2.gz KUCIKCUIWONOFA-IEBWSBKVSA-N 2 2 378.442 3.903 20 0 GHADLP FC(F)(F)Cn1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638762824 910227648 /nfs/dbraw/zinc/22/76/48/910227648.db2.gz KUCIKCUIWONOFA-IEBWSBKVSA-N 2 2 378.442 3.903 20 0 GHADLP CC[NH+]1CCC(CCNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000270341179 910527350 /nfs/dbraw/zinc/52/73/50/910527350.db2.gz NQTGKVXJNHQQHP-UHFFFAOYSA-N 2 2 393.535 3.845 20 0 GHADLP O=C(NCCC[NH+]1CCCCC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270374084 910539633 /nfs/dbraw/zinc/53/96/33/910539633.db2.gz UOUFGWVPHOUYHG-UHFFFAOYSA-N 2 2 379.508 3.599 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000270391894 910546685 /nfs/dbraw/zinc/54/66/85/910546685.db2.gz XTGNHDMWLVERRS-IBGZPJMESA-N 2 2 391.519 3.694 20 0 GHADLP CCc1cc2c(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc(=O)oc2cc1O ZINC000246876566 910721524 /nfs/dbraw/zinc/72/15/24/910721524.db2.gz QGTLSCFIPKJORV-OXJNMPFZSA-N 2 2 382.504 3.510 20 0 GHADLP CCc1cc2c(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc(=O)oc2cc1O ZINC000246876566 910721537 /nfs/dbraw/zinc/72/15/37/910721537.db2.gz QGTLSCFIPKJORV-OXJNMPFZSA-N 2 2 382.504 3.510 20 0 GHADLP CCc1cc2c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc(=O)oc2cc1O ZINC000246876566 910721553 /nfs/dbraw/zinc/72/15/53/910721553.db2.gz QGTLSCFIPKJORV-OXJNMPFZSA-N 2 2 382.504 3.510 20 0 GHADLP CCc1cc2c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc(=O)oc2cc1O ZINC000246876566 910721564 /nfs/dbraw/zinc/72/15/64/910721564.db2.gz QGTLSCFIPKJORV-OXJNMPFZSA-N 2 2 382.504 3.510 20 0 GHADLP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001182864684 912088331 /nfs/dbraw/zinc/08/83/31/912088331.db2.gz KJZUSDJBPBIHHI-ROUUACIJSA-N 2 2 385.552 3.694 20 0 GHADLP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001182864684 912088359 /nfs/dbraw/zinc/08/83/59/912088359.db2.gz KJZUSDJBPBIHHI-ROUUACIJSA-N 2 2 385.552 3.694 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000647249273 915108257 /nfs/dbraw/zinc/10/82/57/915108257.db2.gz OXWMGNSFSAKONP-PQVVKJAFSA-N 3 2 377.576 3.975 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000647249273 915108263 /nfs/dbraw/zinc/10/82/63/915108263.db2.gz OXWMGNSFSAKONP-PQVVKJAFSA-N 3 2 377.576 3.975 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000647249273 915108272 /nfs/dbraw/zinc/10/82/72/915108272.db2.gz OXWMGNSFSAKONP-PQVVKJAFSA-N 3 2 377.576 3.975 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000647249273 915108277 /nfs/dbraw/zinc/10/82/77/915108277.db2.gz OXWMGNSFSAKONP-PQVVKJAFSA-N 3 2 377.576 3.975 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cc2n(n1)CCCC2 ZINC000647281803 915133076 /nfs/dbraw/zinc/13/30/76/915133076.db2.gz IMELUUICWAKPQO-OTWHNJEPSA-N 2 2 382.552 3.679 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cc2n(n1)CCCC2 ZINC000647281803 915133085 /nfs/dbraw/zinc/13/30/85/915133085.db2.gz IMELUUICWAKPQO-OTWHNJEPSA-N 2 2 382.552 3.679 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cc2n(n1)CCCC2 ZINC000647281801 915133301 /nfs/dbraw/zinc/13/33/01/915133301.db2.gz IMELUUICWAKPQO-CEXWTWQISA-N 2 2 382.552 3.679 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cc2n(n1)CCCC2 ZINC000647281801 915133308 /nfs/dbraw/zinc/13/33/08/915133308.db2.gz IMELUUICWAKPQO-CEXWTWQISA-N 2 2 382.552 3.679 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647320956 915149676 /nfs/dbraw/zinc/14/96/76/915149676.db2.gz NWLZCKDIRCJXSQ-YZGWKJHDSA-N 2 2 383.561 3.825 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647320956 915149684 /nfs/dbraw/zinc/14/96/84/915149684.db2.gz NWLZCKDIRCJXSQ-YZGWKJHDSA-N 2 2 383.561 3.825 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)cn1 ZINC000292018093 915475580 /nfs/dbraw/zinc/47/55/80/915475580.db2.gz CAHJGMGCCNTMBQ-UWJYYQICSA-N 2 2 380.467 3.972 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292031277 915483092 /nfs/dbraw/zinc/48/30/92/915483092.db2.gz DIXGAKSNANHEDX-QZTJIDSGSA-N 2 2 380.536 3.660 20 0 GHADLP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000292355958 915633311 /nfs/dbraw/zinc/63/33/11/915633311.db2.gz YLCVNDCSFKDECN-URXFXBBRSA-N 2 2 398.522 3.915 20 0 GHADLP c1cn([C@@H]2CCc3ccccc3[C@H]2[NH2+]Cc2cnnn2Cc2ccccc2)c[nH+]1 ZINC000292790038 915847182 /nfs/dbraw/zinc/84/71/82/915847182.db2.gz MFOMEWXBQOAIOF-DHIUTWEWSA-N 2 2 384.487 3.541 20 0 GHADLP Brc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000292983790 915934881 /nfs/dbraw/zinc/93/48/81/915934881.db2.gz XSCYFFINIHJDOL-UHFFFAOYSA-N 2 2 375.314 3.757 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]([NH3+])c3cccc(Cl)c3)c2)C[C@H](C)O1 ZINC000649337812 916105591 /nfs/dbraw/zinc/10/55/91/916105591.db2.gz RAGYRWFPAWZTAV-MDOVXXIYSA-N 2 2 387.911 3.588 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]([NH3+])c3cccc(Cl)c3)c2)C[C@H](C)O1 ZINC000649337812 916105606 /nfs/dbraw/zinc/10/56/06/916105606.db2.gz RAGYRWFPAWZTAV-MDOVXXIYSA-N 2 2 387.911 3.588 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@H](c2ccccc2)CC1=O ZINC000156734816 916548025 /nfs/dbraw/zinc/54/80/25/916548025.db2.gz CGZJYPXRCXWJQA-JOCHJYFZSA-N 2 2 392.547 3.594 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@H](c2ccccc2)CC1=O ZINC000156734816 916548043 /nfs/dbraw/zinc/54/80/43/916548043.db2.gz CGZJYPXRCXWJQA-JOCHJYFZSA-N 2 2 392.547 3.594 20 0 GHADLP CSCc1cnc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)s1 ZINC000294218397 916656652 /nfs/dbraw/zinc/65/66/52/916656652.db2.gz SFHCATDHEKIARA-HOTGVXAUSA-N 2 2 391.606 3.905 20 0 GHADLP O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccccc1-n1cc[nH+]c1 ZINC001190098860 917095556 /nfs/dbraw/zinc/09/55/56/917095556.db2.gz AGZKDPDHWFIVKX-UHFFFAOYSA-N 2 2 388.515 3.557 20 0 GHADLP Cc1cc(N2CCN(C(=O)c3ccccc3-n3cc[nH+]c3)CC2)c2ccccc2[nH+]1 ZINC001190085829 917119008 /nfs/dbraw/zinc/11/90/08/917119008.db2.gz KMRKOOOPIHDXKP-UHFFFAOYSA-N 2 2 397.482 3.691 20 0 GHADLP COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001190596795 917439109 /nfs/dbraw/zinc/43/91/09/917439109.db2.gz CKUBREYFWXZDKX-QHCPKHFHSA-N 2 2 380.532 3.735 20 0 GHADLP COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001190596795 917439119 /nfs/dbraw/zinc/43/91/19/917439119.db2.gz CKUBREYFWXZDKX-QHCPKHFHSA-N 2 2 380.532 3.735 20 0 GHADLP CC(C)=CCSc1ccccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363257533 917991906 /nfs/dbraw/zinc/99/19/06/917991906.db2.gz YVHWLHSTSFBSKC-SFHVURJKSA-N 2 2 387.593 3.643 20 0 GHADLP CC(C)=CCSc1ccccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363257533 917991919 /nfs/dbraw/zinc/99/19/19/917991919.db2.gz YVHWLHSTSFBSKC-SFHVURJKSA-N 2 2 387.593 3.643 20 0 GHADLP [NH3+]CCc1ccccc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000653109894 918128735 /nfs/dbraw/zinc/12/87/35/918128735.db2.gz QAMJKZRNVJTBCT-IBGZPJMESA-N 2 2 389.902 3.547 20 0 GHADLP CC(C)CO[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001192175050 918523754 /nfs/dbraw/zinc/52/37/54/918523754.db2.gz WMTHNBVXCYXPQE-OAQYLSRUSA-N 2 2 379.976 3.599 20 0 GHADLP CC(C)CO[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001192175050 918523756 /nfs/dbraw/zinc/52/37/56/918523756.db2.gz WMTHNBVXCYXPQE-OAQYLSRUSA-N 2 2 379.976 3.599 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000365250660 920568525 /nfs/dbraw/zinc/56/85/25/920568525.db2.gz AOHABPDCWZPPDX-JOCHJYFZSA-N 2 2 392.547 3.795 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000800893589 920574955 /nfs/dbraw/zinc/57/49/55/920574955.db2.gz QYFOXJFBWMDQGJ-LJQANCHMSA-N 2 2 384.524 3.998 20 0 GHADLP Cc1ccc([C@H](CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)[NH+]2CCCC2)cc1 ZINC000365421234 920767651 /nfs/dbraw/zinc/76/76/51/920767651.db2.gz IVJYHEYNKJLSES-NRFANRHFSA-N 2 2 395.551 3.506 20 0 GHADLP Cn1nc(C[NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)cc1C(F)(F)F ZINC000902458446 922210923 /nfs/dbraw/zinc/21/09/23/922210923.db2.gz XEWXBXLRLRJDNU-OAHLLOKOSA-N 2 2 376.373 3.677 20 0 GHADLP CC[NH+](CC)CCOc1cccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000903462350 923042692 /nfs/dbraw/zinc/04/26/92/923042692.db2.gz QZWBULJHGMLEPP-SFHVURJKSA-N 2 2 399.539 3.552 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000369723320 923571969 /nfs/dbraw/zinc/57/19/69/923571969.db2.gz PRDOLMIKWLYHHH-UHFFFAOYSA-N 2 2 399.539 3.604 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000748727178 923802193 /nfs/dbraw/zinc/80/21/93/923802193.db2.gz DOBDRKRXWBAWIA-FQEVSTJZSA-N 2 2 392.478 3.540 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000748727178 923802195 /nfs/dbraw/zinc/80/21/95/923802195.db2.gz DOBDRKRXWBAWIA-FQEVSTJZSA-N 2 2 392.478 3.540 20 0 GHADLP CC1(C)C[C@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C[N@@H+]1Cc1ccccc1 ZINC000677748657 924477913 /nfs/dbraw/zinc/47/79/13/924477913.db2.gz BXBNSCRCCXHCDH-QHCPKHFHSA-N 2 2 391.559 3.952 20 0 GHADLP CC1(C)C[C@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C[N@H+]1Cc1ccccc1 ZINC000677748657 924477917 /nfs/dbraw/zinc/47/79/17/924477917.db2.gz BXBNSCRCCXHCDH-QHCPKHFHSA-N 2 2 391.559 3.952 20 0 GHADLP O=C(C[NH2+][C@@H](CC1CC1)c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000678776728 924916862 /nfs/dbraw/zinc/91/68/62/924916862.db2.gz OIGIFIOZFKUQDI-QHCPKHFHSA-N 2 2 393.531 3.588 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1 ZINC000678807379 924932155 /nfs/dbraw/zinc/93/21/55/924932155.db2.gz NGAMDFBZVVZQHL-VBKZILBWSA-N 2 2 399.491 3.889 20 0 GHADLP O=C1[C@@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000679217219 925069694 /nfs/dbraw/zinc/06/96/94/925069694.db2.gz WBKJZPWQHZFXRS-LRDDRELGSA-N 2 2 379.291 3.701 20 0 GHADLP O=C1[C@@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000679217219 925069702 /nfs/dbraw/zinc/06/97/02/925069702.db2.gz WBKJZPWQHZFXRS-LRDDRELGSA-N 2 2 379.291 3.701 20 0 GHADLP Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c(N2CCCC2)[nH+]1 ZINC000679699861 925235156 /nfs/dbraw/zinc/23/51/56/925235156.db2.gz CKENGZAXJGSBLF-JOCHJYFZSA-N 2 2 392.547 3.661 20 0 GHADLP Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c(N2CCCC2)[nH+]1 ZINC000679699861 925235165 /nfs/dbraw/zinc/23/51/65/925235165.db2.gz CKENGZAXJGSBLF-JOCHJYFZSA-N 2 2 392.547 3.661 20 0 GHADLP CC[NH+](CC)CCCC1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000679863980 925287223 /nfs/dbraw/zinc/28/72/23/925287223.db2.gz RBOMCSHVMSVYOJ-UHFFFAOYSA-N 2 2 386.584 3.546 20 0 GHADLP CC(C)C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000681209769 925761599 /nfs/dbraw/zinc/76/15/99/925761599.db2.gz BLNYWUHAZOXPBS-OALUTQOASA-N 2 2 392.613 3.645 20 0 GHADLP CC(C)C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000681209769 925761602 /nfs/dbraw/zinc/76/16/02/925761602.db2.gz BLNYWUHAZOXPBS-OALUTQOASA-N 2 2 392.613 3.645 20 0 GHADLP C[C@@]1(C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000681698963 925883270 /nfs/dbraw/zinc/88/32/70/925883270.db2.gz ODYSPQAQGSTLSY-DEOSSOPVSA-N 2 2 377.532 3.723 20 0 GHADLP C[C@@]1(C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000681698963 925883275 /nfs/dbraw/zinc/88/32/75/925883275.db2.gz ODYSPQAQGSTLSY-DEOSSOPVSA-N 2 2 377.532 3.723 20 0 GHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+]([C@@H]4CCc5ccccc54)C3)CC2)nc1 ZINC000682069038 926001779 /nfs/dbraw/zinc/00/17/79/926001779.db2.gz IUIVUBXFUXHRSL-NZQKXSOJSA-N 2 2 376.548 3.603 20 0 GHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+]([C@@H]4CCc5ccccc54)C3)CC2)nc1 ZINC000682069038 926001789 /nfs/dbraw/zinc/00/17/89/926001789.db2.gz IUIVUBXFUXHRSL-NZQKXSOJSA-N 2 2 376.548 3.603 20 0 GHADLP O=C(CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000411506079 926459447 /nfs/dbraw/zinc/45/94/47/926459447.db2.gz PNDIHOQQBOHWEI-HSZRJFAPSA-N 2 2 394.563 3.959 20 0 GHADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000374133987 926811185 /nfs/dbraw/zinc/81/11/85/926811185.db2.gz SBLSVTGHLVZNLE-QFIPXVFZSA-N 2 2 388.515 3.526 20 0 GHADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000374133987 926811192 /nfs/dbraw/zinc/81/11/92/926811192.db2.gz SBLSVTGHLVZNLE-QFIPXVFZSA-N 2 2 388.515 3.526 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(C[NH+](C)C)c(F)c3)cc2)C[C@@H](C)O1 ZINC000749250019 927015515 /nfs/dbraw/zinc/01/55/15/927015515.db2.gz JMHJUABAJGLSAF-IAGOWNOFSA-N 2 2 399.510 3.749 20 0 GHADLP C[NH+](C)CCCCCCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374346163 927039090 /nfs/dbraw/zinc/03/90/90/927039090.db2.gz GNUQNYDNRXLBEJ-IBGZPJMESA-N 2 2 389.588 3.621 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1c(F)cccc1F ZINC000375379318 928235203 /nfs/dbraw/zinc/23/52/03/928235203.db2.gz LPXQBQRJWPHNSD-GQIGUUNPSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1c(F)cccc1F ZINC000375379318 928235217 /nfs/dbraw/zinc/23/52/17/928235217.db2.gz LPXQBQRJWPHNSD-GQIGUUNPSA-N 2 2 387.474 3.792 20 0 GHADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543988821 928652191 /nfs/dbraw/zinc/65/21/91/928652191.db2.gz IZYSAVFMZFETBZ-OAQYLSRUSA-N 2 2 384.524 3.801 20 0 GHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543993490 928660509 /nfs/dbraw/zinc/66/05/09/928660509.db2.gz QURFTFSWJOSJCQ-RBUKOAKNSA-N 2 2 398.551 3.650 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC[NH+]1CCCC1 ZINC000544039582 928722367 /nfs/dbraw/zinc/72/23/67/928722367.db2.gz MXFFEUIHJLKFPJ-GFCCVEGCSA-N 2 2 377.838 3.761 20 0 GHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000467314184 928948280 /nfs/dbraw/zinc/94/82/80/928948280.db2.gz TWKMEZIOUSBGJZ-IIBYNOLFSA-N 2 2 392.465 3.645 20 0 GHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000467314184 928948284 /nfs/dbraw/zinc/94/82/84/928948284.db2.gz TWKMEZIOUSBGJZ-IIBYNOLFSA-N 2 2 392.465 3.645 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)C1 ZINC000753545837 929403920 /nfs/dbraw/zinc/40/39/20/929403920.db2.gz WFGRLOGOXJWNMP-INIZCTEOSA-N 2 2 388.537 3.908 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)C1 ZINC000753545837 929403929 /nfs/dbraw/zinc/40/39/29/929403929.db2.gz WFGRLOGOXJWNMP-INIZCTEOSA-N 2 2 388.537 3.908 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2Oc2cccc(C)c2)CC1 ZINC000545916947 929674054 /nfs/dbraw/zinc/67/40/54/929674054.db2.gz XJGUPKBAPNEOOD-FCHUYYIVSA-N 2 2 388.552 3.692 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000469299222 929771538 /nfs/dbraw/zinc/77/15/38/929771538.db2.gz ZHKCDRPQUWYIPQ-UHFFFAOYSA-N 2 2 388.515 3.917 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000469299222 929771542 /nfs/dbraw/zinc/77/15/42/929771542.db2.gz ZHKCDRPQUWYIPQ-UHFFFAOYSA-N 2 2 388.515 3.917 20 0 GHADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@H](Cc2ccccc2)OC1=O ZINC000781141305 930713994 /nfs/dbraw/zinc/71/39/94/930713994.db2.gz GSPDOPGXUDDYCI-QFIPXVFZSA-N 2 2 381.520 3.591 20 0 GHADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@H](Cc2ccccc2)OC1=O ZINC000781141305 930714005 /nfs/dbraw/zinc/71/40/05/930714005.db2.gz GSPDOPGXUDDYCI-QFIPXVFZSA-N 2 2 381.520 3.591 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000547326008 930919053 /nfs/dbraw/zinc/91/90/53/930919053.db2.gz SLYIJRFKBNLFTI-INIZCTEOSA-N 2 2 388.508 3.818 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2Oc2ccccc2C)CC1 ZINC000547330264 930922520 /nfs/dbraw/zinc/92/25/20/930922520.db2.gz OADOYFDHNYIMDQ-RBBKRZOGSA-N 2 2 388.552 3.692 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@]3(O)CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000783308151 931516400 /nfs/dbraw/zinc/51/64/00/931516400.db2.gz BMGOQJWZQMKDHM-JXFKEZNVSA-N 2 2 399.501 3.795 20 0 GHADLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cc(-c2ccccc2)no1 ZINC000924926649 931587364 /nfs/dbraw/zinc/58/73/64/931587364.db2.gz DUMGZHDLDGVJMB-XXBNENTESA-N 2 2 390.531 3.981 20 0 GHADLP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c2cccnc2)cc1 ZINC000925558490 931822346 /nfs/dbraw/zinc/82/23/46/931822346.db2.gz FQUGEBBWKZPMPG-HJOGWXRNSA-N 2 2 379.548 3.837 20 0 GHADLP Fc1cc(C(F)(F)F)c(F)cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000558086592 931835207 /nfs/dbraw/zinc/83/52/07/931835207.db2.gz ACCYUZNPMUHQMH-UHFFFAOYSA-N 2 2 392.412 3.918 20 0 GHADLP COC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(Cl)c1F ZINC000558266708 931912245 /nfs/dbraw/zinc/91/22/45/931912245.db2.gz BQQHFFUJEJXNED-YJBOKZPZSA-N 2 2 392.906 3.814 20 0 GHADLP CC[C@H]1C[C@@H](C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCO1 ZINC000558422033 931995037 /nfs/dbraw/zinc/99/50/37/931995037.db2.gz HCJULSDFMBSSAI-HOTGVXAUSA-N 2 2 396.329 3.946 20 0 GHADLP CC[C@H]1C[C@@H](C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCO1 ZINC000558422033 931995044 /nfs/dbraw/zinc/99/50/44/931995044.db2.gz HCJULSDFMBSSAI-HOTGVXAUSA-N 2 2 396.329 3.946 20 0 GHADLP CN(C(=O)C[C@@H]1CCC(F)(F)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000797958373 932472030 /nfs/dbraw/zinc/47/20/30/932472030.db2.gz XDFAFEGFOQVIGX-QXAKKESOSA-N 2 2 385.543 3.608 20 0 GHADLP CN(C(=O)C[C@@H]1CCC(F)(F)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000797958373 932472033 /nfs/dbraw/zinc/47/20/33/932472033.db2.gz XDFAFEGFOQVIGX-QXAKKESOSA-N 2 2 385.543 3.608 20 0 GHADLP CC(C)[C@H](CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)[NH+]1CCCCCC1 ZINC000559363618 932629262 /nfs/dbraw/zinc/62/92/62/932629262.db2.gz BXNVSDLFWSFBHI-QFIPXVFZSA-N 2 2 397.567 3.631 20 0 GHADLP Clc1ccc(COc2ccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc2)cc1 ZINC001116018498 933285708 /nfs/dbraw/zinc/28/57/08/933285708.db2.gz FBPCLENYGXNTPD-UNMCSNQZSA-N 2 2 386.923 3.872 20 0 GHADLP Clc1ccc(COc2ccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)cc2)cc1 ZINC001116018498 933285715 /nfs/dbraw/zinc/28/57/15/933285715.db2.gz FBPCLENYGXNTPD-UNMCSNQZSA-N 2 2 386.923 3.872 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(C)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001116046448 933304661 /nfs/dbraw/zinc/30/46/61/933304661.db2.gz GISKRXIZNARLMK-HNNXBMFYSA-N 2 2 398.378 3.556 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(C)(C)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001116046448 933304673 /nfs/dbraw/zinc/30/46/73/933304673.db2.gz GISKRXIZNARLMK-HNNXBMFYSA-N 2 2 398.378 3.556 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)c(C)c1 ZINC000560546004 933332171 /nfs/dbraw/zinc/33/21/71/933332171.db2.gz PAOFCCOQXYAKOV-DYESRHJHSA-N 2 2 390.487 3.923 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000560608545 933382960 /nfs/dbraw/zinc/38/29/60/933382960.db2.gz KFCNTQNHJXDEPV-SFHVURJKSA-N 2 2 393.531 3.518 20 0 GHADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001116289019 933460287 /nfs/dbraw/zinc/46/02/87/933460287.db2.gz MFVXXXPMXLTKID-QGZVFWFLSA-N 2 2 387.955 3.947 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H](C)n2cc[nH+]c2)cc1)C[C@H]1CCCCO1 ZINC001116469033 933576395 /nfs/dbraw/zinc/57/63/95/933576395.db2.gz QNAAFRNFVWUWSH-GHTZIAJQSA-N 2 2 384.524 3.862 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@H](C)n2cc[nH+]c2)cc1)C[C@H]1CCCCO1 ZINC001116469033 933576404 /nfs/dbraw/zinc/57/64/04/933576404.db2.gz QNAAFRNFVWUWSH-GHTZIAJQSA-N 2 2 384.524 3.862 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2)cc1)C[C@H]1CCCCO1 ZINC001116469036 933576864 /nfs/dbraw/zinc/57/68/64/933576864.db2.gz QNAAFRNFVWUWSH-WIYYLYMNSA-N 2 2 384.524 3.862 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2)cc1)C[C@H]1CCCCO1 ZINC001116469036 933576872 /nfs/dbraw/zinc/57/68/72/933576872.db2.gz QNAAFRNFVWUWSH-WIYYLYMNSA-N 2 2 384.524 3.862 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCOc2ccccc2C(=O)OC(C)(C)C)C1 ZINC001116617255 933667641 /nfs/dbraw/zinc/66/76/41/933667641.db2.gz KRPSIUDCYVIMQZ-SFHVURJKSA-N 2 2 399.535 3.709 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCOc2ccccc2C(=O)OC(C)(C)C)C1 ZINC001116617255 933667646 /nfs/dbraw/zinc/66/76/46/933667646.db2.gz KRPSIUDCYVIMQZ-SFHVURJKSA-N 2 2 399.535 3.709 20 0 GHADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000562365568 934838224 /nfs/dbraw/zinc/83/82/24/934838224.db2.gz ZOJVUKXLMDWHGD-QFIPXVFZSA-N 2 2 388.515 3.745 20 0 GHADLP Cn1c(C(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)ccc1[C@H]1CCCC[NH2+]1 ZINC001122457444 934874494 /nfs/dbraw/zinc/87/44/94/934874494.db2.gz QFSLNLDMDBRYGX-ZWKOTPCHSA-N 2 2 397.567 3.811 20 0 GHADLP Fc1cc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)ccc1Cl ZINC001137651579 935672464 /nfs/dbraw/zinc/67/24/64/935672464.db2.gz BCAMVJPFYFZYLH-UHFFFAOYSA-N 2 2 376.907 3.720 20 0 GHADLP Fc1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)ccc1Cl ZINC001137651579 935672468 /nfs/dbraw/zinc/67/24/68/935672468.db2.gz BCAMVJPFYFZYLH-UHFFFAOYSA-N 2 2 376.907 3.720 20 0 GHADLP COC(=O)c1ccccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001137787563 935790418 /nfs/dbraw/zinc/79/04/18/935790418.db2.gz KZMHEUJCXCILIR-VJBMBRPKSA-N 2 2 393.531 3.601 20 0 GHADLP COC(=O)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001137787563 935790420 /nfs/dbraw/zinc/79/04/20/935790420.db2.gz KZMHEUJCXCILIR-VJBMBRPKSA-N 2 2 393.531 3.601 20 0 GHADLP COC(=O)c1ccccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001137787563 935790423 /nfs/dbraw/zinc/79/04/23/935790423.db2.gz KZMHEUJCXCILIR-VJBMBRPKSA-N 2 2 393.531 3.601 20 0 GHADLP COC(=O)c1ccccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001137787563 935790425 /nfs/dbraw/zinc/79/04/25/935790425.db2.gz KZMHEUJCXCILIR-VJBMBRPKSA-N 2 2 393.531 3.601 20 0 GHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000468412860 1015682947 /nfs/dbraw/zinc/68/29/47/1015682947.db2.gz QKPATQYGLAYPEZ-OAQYLSRUSA-N 2 2 384.568 3.721 20 0 GHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000468412860 1015682953 /nfs/dbraw/zinc/68/29/53/1015682953.db2.gz QKPATQYGLAYPEZ-OAQYLSRUSA-N 2 2 384.568 3.721 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cccc(-n2cnnc2)c1 ZINC000925148991 1017043747 /nfs/dbraw/zinc/04/37/47/1017043747.db2.gz NHNILRDTOJUZQF-GOSISDBHSA-N 2 2 390.535 3.653 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001221293282 1032364169 /nfs/dbraw/zinc/36/41/69/1032364169.db2.gz CVNCVLMJMZJYNT-LVCYWYKZSA-N 2 2 392.613 3.647 20 0 GHADLP CCNc1cc(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc[nH+]1 ZINC001221508823 1032440704 /nfs/dbraw/zinc/44/07/04/1032440704.db2.gz LIKCGCLPPYPRCZ-UHFFFAOYSA-N 2 2 395.551 3.889 20 0 GHADLP Fc1ccc(COc2ccc[nH+]c2NCC[C@@H]2C[NH2+]Cc3cccn3C2)cc1 ZINC001155461145 1032551445 /nfs/dbraw/zinc/55/14/45/1032551445.db2.gz BKJOLQZYKYJCRK-GOSISDBHSA-N 2 2 380.467 3.823 20 0 GHADLP Cc1cccc(OC[C@@H](O)C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C(C)C)c1 ZINC001204161423 1032612935 /nfs/dbraw/zinc/61/29/35/1032612935.db2.gz BQEJBJANMJMSMR-IBGZPJMESA-N 2 2 385.533 3.893 20 0 GHADLP Cc1cccc(OC[C@@H](O)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C(C)C)c1 ZINC001204161423 1032612936 /nfs/dbraw/zinc/61/29/36/1032612936.db2.gz BQEJBJANMJMSMR-IBGZPJMESA-N 2 2 385.533 3.893 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc2cc(Cl)ccc2o1 ZINC000560582684 1017668904 /nfs/dbraw/zinc/66/89/04/1017668904.db2.gz VSBQTLRXSXTOFN-TZUVLKIQSA-N 2 2 389.927 3.820 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc2cc(Cl)ccc2o1 ZINC000560582684 1017668908 /nfs/dbraw/zinc/66/89/08/1017668908.db2.gz VSBQTLRXSXTOFN-TZUVLKIQSA-N 2 2 389.927 3.820 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3c(C)[nH]c4ccccc43)CC2)CC1 ZINC001204291323 1032733220 /nfs/dbraw/zinc/73/32/20/1032733220.db2.gz JEBJPSYNDBVFTK-UHFFFAOYSA-N 2 2 383.536 3.716 20 0 GHADLP CCCC[C@H](CC)CCCN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001228043585 1032749782 /nfs/dbraw/zinc/74/97/82/1032749782.db2.gz PADPEBQYHQSXES-PMACEKPBSA-N 2 2 380.621 3.793 20 0 GHADLP CCCC[C@H](CC)CCCN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001228043585 1032749800 /nfs/dbraw/zinc/74/98/00/1032749800.db2.gz PADPEBQYHQSXES-PMACEKPBSA-N 2 2 380.621 3.793 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cn(C)c4ccccc34)CC[C@@H]21 ZINC001204313079 1032754941 /nfs/dbraw/zinc/75/49/41/1032754941.db2.gz IHFCBAOFXDWGLI-NWSQWKLXSA-N 2 2 391.563 3.748 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cn(C)c4ccccc34)CC[C@@H]21 ZINC001204313079 1032754953 /nfs/dbraw/zinc/75/49/53/1032754953.db2.gz IHFCBAOFXDWGLI-NWSQWKLXSA-N 2 2 391.563 3.748 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3cn(C)c4ccccc34)CC[C@@H]21 ZINC001204313079 1032754970 /nfs/dbraw/zinc/75/49/70/1032754970.db2.gz IHFCBAOFXDWGLI-NWSQWKLXSA-N 2 2 391.563 3.748 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3cn(C)c4ccccc34)CC[C@@H]21 ZINC001204313079 1032754982 /nfs/dbraw/zinc/75/49/82/1032754982.db2.gz IHFCBAOFXDWGLI-NWSQWKLXSA-N 2 2 391.563 3.748 20 0 GHADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000562902488 1018781730 /nfs/dbraw/zinc/78/17/30/1018781730.db2.gz WPIYGQUKROGRPS-ICSRJNTNSA-N 2 2 392.469 3.866 20 0 GHADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000562902488 1018781737 /nfs/dbraw/zinc/78/17/37/1018781737.db2.gz WPIYGQUKROGRPS-ICSRJNTNSA-N 2 2 392.469 3.866 20 0 GHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000562902488 1018781752 /nfs/dbraw/zinc/78/17/52/1018781752.db2.gz WPIYGQUKROGRPS-ICSRJNTNSA-N 2 2 392.469 3.866 20 0 GHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000562902488 1018781757 /nfs/dbraw/zinc/78/17/57/1018781757.db2.gz WPIYGQUKROGRPS-ICSRJNTNSA-N 2 2 392.469 3.866 20 0 GHADLP COc1cc2c(cc1C[N@H+](C)[C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)OCO2 ZINC000570372518 1019594896 /nfs/dbraw/zinc/59/48/96/1019594896.db2.gz COVSAKYKJYQDEG-YLJYHZDGSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc2c(cc1C[N@@H+](C)[C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)OCO2 ZINC000570372518 1019594910 /nfs/dbraw/zinc/59/49/10/1019594910.db2.gz COVSAKYKJYQDEG-YLJYHZDGSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc2c(cc1C[NH+](C)[C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)OCO2 ZINC000570372518 1019594925 /nfs/dbraw/zinc/59/49/25/1019594925.db2.gz COVSAKYKJYQDEG-YLJYHZDGSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc2c(cc1C[NH+](C)[C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)OCO2 ZINC000570372518 1019594938 /nfs/dbraw/zinc/59/49/38/1019594938.db2.gz COVSAKYKJYQDEG-YLJYHZDGSA-N 2 2 382.504 3.909 20 0 GHADLP COc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2-c1cc[nH+]c(N2CCCCC2)n1 ZINC001156018546 1032843784 /nfs/dbraw/zinc/84/37/84/1032843784.db2.gz HJXPIAMQUXOQHW-UHFFFAOYSA-N 2 2 391.519 3.886 20 0 GHADLP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000571989030 1019733496 /nfs/dbraw/zinc/73/34/96/1019733496.db2.gz MQYNTIRGRYZXAZ-FPOVZHCZSA-N 2 2 385.556 3.661 20 0 GHADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000571989030 1019733514 /nfs/dbraw/zinc/73/35/14/1019733514.db2.gz MQYNTIRGRYZXAZ-FPOVZHCZSA-N 2 2 385.556 3.661 20 0 GHADLP C[NH+](C)Cc1cccc(CNc2ncnc3c2C[N@H+](Cc2ccccc2)CC3)c1 ZINC001156044735 1032853320 /nfs/dbraw/zinc/85/33/20/1032853320.db2.gz TZZRRLOMZIFGQK-UHFFFAOYSA-N 2 2 387.531 3.709 20 0 GHADLP C[NH+](C)Cc1cccc(CNc2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)c1 ZINC001156044735 1032853331 /nfs/dbraw/zinc/85/33/31/1032853331.db2.gz TZZRRLOMZIFGQK-UHFFFAOYSA-N 2 2 387.531 3.709 20 0 GHADLP FC(F)(F)Oc1ccccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001204426646 1032859530 /nfs/dbraw/zinc/85/95/30/1032859530.db2.gz RLOUVFBWKYBBRL-MJGOQNOKSA-N 2 2 391.437 3.934 20 0 GHADLP FC(F)(F)Oc1ccccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001204426646 1032859540 /nfs/dbraw/zinc/85/95/40/1032859540.db2.gz RLOUVFBWKYBBRL-MJGOQNOKSA-N 2 2 391.437 3.934 20 0 GHADLP FC(F)(F)Oc1ccccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001204426646 1032859555 /nfs/dbraw/zinc/85/95/55/1032859555.db2.gz RLOUVFBWKYBBRL-MJGOQNOKSA-N 2 2 391.437 3.934 20 0 GHADLP FC(F)(F)Oc1ccccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001204426646 1032859567 /nfs/dbraw/zinc/85/95/67/1032859567.db2.gz RLOUVFBWKYBBRL-MJGOQNOKSA-N 2 2 391.437 3.934 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC001204430139 1032864218 /nfs/dbraw/zinc/86/42/18/1032864218.db2.gz HZUUDRLWLIUQPE-IBGZPJMESA-N 2 2 386.458 3.908 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC001204430139 1032864235 /nfs/dbraw/zinc/86/42/35/1032864235.db2.gz HZUUDRLWLIUQPE-IBGZPJMESA-N 2 2 386.458 3.908 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC001204430139 1032864264 /nfs/dbraw/zinc/86/42/64/1032864264.db2.gz HZUUDRLWLIUQPE-IBGZPJMESA-N 2 2 386.458 3.908 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC001204430139 1032864282 /nfs/dbraw/zinc/86/42/82/1032864282.db2.gz HZUUDRLWLIUQPE-IBGZPJMESA-N 2 2 386.458 3.908 20 0 GHADLP CC[C@H](c1nnc(SC[C@@H](O)C[N@H+](C)C(C)C)n1C1CCCCC1)[NH+](C)C ZINC000576240615 1019991445 /nfs/dbraw/zinc/99/14/45/1019991445.db2.gz CFKDBMJEFNEBGF-ZWKOTPCHSA-N 2 2 397.633 3.589 20 0 GHADLP CC[C@H](c1nnc(SC[C@@H](O)C[N@@H+](C)C(C)C)n1C1CCCCC1)[NH+](C)C ZINC000576240615 1019991450 /nfs/dbraw/zinc/99/14/50/1019991450.db2.gz CFKDBMJEFNEBGF-ZWKOTPCHSA-N 2 2 397.633 3.589 20 0 GHADLP Fc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001204437782 1032875051 /nfs/dbraw/zinc/87/50/51/1032875051.db2.gz ONZLIHLXELQFKK-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001204437782 1032875064 /nfs/dbraw/zinc/87/50/64/1032875064.db2.gz ONZLIHLXELQFKK-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001204437782 1032875093 /nfs/dbraw/zinc/87/50/93/1032875093.db2.gz ONZLIHLXELQFKK-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834502057 1021227997 /nfs/dbraw/zinc/22/79/97/1021227997.db2.gz MPHDPWRFUBNUNK-FXAWDEMLSA-N 2 2 384.524 3.809 20 0 GHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001156318778 1032983844 /nfs/dbraw/zinc/98/38/44/1032983844.db2.gz UNSDPBCYBBAOCG-KNUGMXKYSA-N 2 2 391.515 3.899 20 0 GHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001156318778 1032983847 /nfs/dbraw/zinc/98/38/47/1032983847.db2.gz UNSDPBCYBBAOCG-KNUGMXKYSA-N 2 2 391.515 3.899 20 0 GHADLP COc1ccc2c(C[N@H+](C)CCC[NH+](C)C)cn(C(=O)OC(C)(C)C)c2c1 ZINC001140367729 1021507223 /nfs/dbraw/zinc/50/72/23/1021507223.db2.gz TYNQMCOZVDNGJG-UHFFFAOYSA-N 2 2 375.513 3.817 20 0 GHADLP COc1ccc2c(C[N@@H+](C)CCC[NH+](C)C)cn(C(=O)OC(C)(C)C)c2c1 ZINC001140367729 1021507236 /nfs/dbraw/zinc/50/72/36/1021507236.db2.gz TYNQMCOZVDNGJG-UHFFFAOYSA-N 2 2 375.513 3.817 20 0 GHADLP C[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)c1ccc(N2CCNC2=O)cc1 ZINC000834883015 1021609395 /nfs/dbraw/zinc/60/93/95/1021609395.db2.gz XHJAZKIHVWRAKZ-LJQANCHMSA-N 2 2 392.547 3.922 20 0 GHADLP C[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)c1ccc(N2CCNC2=O)cc1 ZINC000834883015 1021609411 /nfs/dbraw/zinc/60/94/11/1021609411.db2.gz XHJAZKIHVWRAKZ-LJQANCHMSA-N 2 2 392.547 3.922 20 0 GHADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC001204622000 1032997983 /nfs/dbraw/zinc/99/79/83/1032997983.db2.gz VRIDTJTYVGHISC-LJQANCHMSA-N 2 2 378.438 3.559 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccc3c(c1)ncn3C)CC2 ZINC001140506958 1021891980 /nfs/dbraw/zinc/89/19/80/1021891980.db2.gz KIDLYRMBWXUPGU-UHFFFAOYSA-N 2 2 393.535 3.809 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccc3c(c1)ncn3C)CC2 ZINC001140506958 1021891994 /nfs/dbraw/zinc/89/19/94/1021891994.db2.gz KIDLYRMBWXUPGU-UHFFFAOYSA-N 2 2 393.535 3.809 20 0 GHADLP CC(C)NC(=O)c1ccc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001140619294 1022087014 /nfs/dbraw/zinc/08/70/14/1022087014.db2.gz SDUHKFALXIAOJU-UHFFFAOYSA-N 2 2 391.559 3.848 20 0 GHADLP CC(C)NC(=O)c1ccc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001140619294 1022087025 /nfs/dbraw/zinc/08/70/25/1022087025.db2.gz SDUHKFALXIAOJU-UHFFFAOYSA-N 2 2 391.559 3.848 20 0 GHADLP Cc1cc(NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(C)c[nH+]1 ZINC000680224683 1022117828 /nfs/dbraw/zinc/11/78/28/1022117828.db2.gz WWDAPIRTSSXAQP-PCCBWWKXSA-N 2 2 378.520 3.543 20 0 GHADLP Cc1cc(NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(C)c[nH+]1 ZINC000680224683 1022117832 /nfs/dbraw/zinc/11/78/32/1022117832.db2.gz WWDAPIRTSSXAQP-PCCBWWKXSA-N 2 2 378.520 3.543 20 0 GHADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(-c2ccccc2Cl)o1 ZINC001204731842 1033053206 /nfs/dbraw/zinc/05/32/06/1033053206.db2.gz KIOIQQXPVQFNBW-UHFFFAOYSA-N 2 2 378.900 3.917 20 0 GHADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(-c2ccccc2Cl)o1 ZINC001204731842 1033053212 /nfs/dbraw/zinc/05/32/12/1033053212.db2.gz KIOIQQXPVQFNBW-UHFFFAOYSA-N 2 2 378.900 3.917 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]21 ZINC001140803071 1022574491 /nfs/dbraw/zinc/57/44/91/1022574491.db2.gz KHXWKMDBPZFNCX-ODOSVJCGSA-N 3 2 375.520 3.690 20 0 GHADLP CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140974782 1023055059 /nfs/dbraw/zinc/05/50/59/1023055059.db2.gz KQDIHKUOIVKISM-QHCPKHFHSA-N 2 2 379.548 3.922 20 0 GHADLP CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140974782 1023055074 /nfs/dbraw/zinc/05/50/74/1023055074.db2.gz KQDIHKUOIVKISM-QHCPKHFHSA-N 2 2 379.548 3.922 20 0 GHADLP c1cc(-c2ccccn2)sc1C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001140999674 1023136492 /nfs/dbraw/zinc/13/64/92/1023136492.db2.gz CVSZNDMARZWDIA-KDURUIRLSA-N 2 2 376.529 3.769 20 0 GHADLP c1cc(-c2ccccn2)sc1C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001140999674 1023136504 /nfs/dbraw/zinc/13/65/04/1023136504.db2.gz CVSZNDMARZWDIA-KDURUIRLSA-N 2 2 376.529 3.769 20 0 GHADLP c1cc(-c2ccccn2)sc1C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001140999674 1023136514 /nfs/dbraw/zinc/13/65/14/1023136514.db2.gz CVSZNDMARZWDIA-KDURUIRLSA-N 2 2 376.529 3.769 20 0 GHADLP c1cc(-c2ccccn2)sc1C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001140999674 1023136527 /nfs/dbraw/zinc/13/65/27/1023136527.db2.gz CVSZNDMARZWDIA-KDURUIRLSA-N 2 2 376.529 3.769 20 0 GHADLP Cc1cc(Cl)c2ccccc2c1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001203090577 1023407577 /nfs/dbraw/zinc/40/75/77/1023407577.db2.gz UJMNRBHYKCRURN-UHFFFAOYSA-N 2 2 376.932 3.807 20 0 GHADLP Cc1cc(Cl)c2ccccc2c1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001203090577 1023407582 /nfs/dbraw/zinc/40/75/82/1023407582.db2.gz UJMNRBHYKCRURN-UHFFFAOYSA-N 2 2 376.932 3.807 20 0 GHADLP CSc1ccc2cc(C[N@@H+]3CCOC4(CC[NH+](C)CC4)C3)c(Cl)nc2c1 ZINC000830631065 1024027528 /nfs/dbraw/zinc/02/75/28/1024027528.db2.gz VFKRTJRROAKLAR-UHFFFAOYSA-N 2 2 391.968 3.907 20 0 GHADLP CSc1ccc2cc(C[N@H+]3CCOC4(CC[NH+](C)CC4)C3)c(Cl)nc2c1 ZINC000830631065 1024027545 /nfs/dbraw/zinc/02/75/45/1024027545.db2.gz VFKRTJRROAKLAR-UHFFFAOYSA-N 2 2 391.968 3.907 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ncccc2NC(=O)OC(C)(C)C)C1 ZINC001138411743 1024796200 /nfs/dbraw/zinc/79/62/00/1024796200.db2.gz SHGWLSPJVXEJFE-INIZCTEOSA-N 2 2 384.480 3.785 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ncccc2NC(=O)OC(C)(C)C)C1 ZINC001138411743 1024796210 /nfs/dbraw/zinc/79/62/10/1024796210.db2.gz SHGWLSPJVXEJFE-INIZCTEOSA-N 2 2 384.480 3.785 20 0 GHADLP CCSc1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001138655906 1025172939 /nfs/dbraw/zinc/17/29/39/1025172939.db2.gz SLKWGTAKYNOAGS-TYPHKJRUSA-N 2 2 397.592 3.716 20 0 GHADLP CCSc1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001138655906 1025172943 /nfs/dbraw/zinc/17/29/43/1025172943.db2.gz SLKWGTAKYNOAGS-TYPHKJRUSA-N 2 2 397.592 3.716 20 0 GHADLP CCSc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001138655906 1025172958 /nfs/dbraw/zinc/17/29/58/1025172958.db2.gz SLKWGTAKYNOAGS-TYPHKJRUSA-N 2 2 397.592 3.716 20 0 GHADLP CCSc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001138655906 1025172966 /nfs/dbraw/zinc/17/29/66/1025172966.db2.gz SLKWGTAKYNOAGS-TYPHKJRUSA-N 2 2 397.592 3.716 20 0 GHADLP Cc1ccc2cc(C[N@@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)ccc2n1 ZINC001141478718 1025186054 /nfs/dbraw/zinc/18/60/54/1025186054.db2.gz MBBFSUBHYSPARI-LADGPHEKSA-N 2 2 379.548 3.866 20 0 GHADLP Cc1ccc2cc(C[N@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)ccc2n1 ZINC001141478718 1025186057 /nfs/dbraw/zinc/18/60/57/1025186057.db2.gz MBBFSUBHYSPARI-LADGPHEKSA-N 2 2 379.548 3.866 20 0 GHADLP Cc1ccc2cc(C[NH+]3C[C@@H]4C[N@H+](CC5CCCC5)CCO[C@@H]4C3)ccc2n1 ZINC001141478718 1025186062 /nfs/dbraw/zinc/18/60/62/1025186062.db2.gz MBBFSUBHYSPARI-LADGPHEKSA-N 2 2 379.548 3.866 20 0 GHADLP Cc1ccc2cc(C[NH+]3C[C@@H]4C[N@@H+](CC5CCCC5)CCO[C@@H]4C3)ccc2n1 ZINC001141478718 1025186069 /nfs/dbraw/zinc/18/60/69/1025186069.db2.gz MBBFSUBHYSPARI-LADGPHEKSA-N 2 2 379.548 3.866 20 0 GHADLP COc1cc(C[NH+]2CCOCC2)ccc1N(CC[NH3+])c1cccc2ccccc21 ZINC001162006647 1025534646 /nfs/dbraw/zinc/53/46/46/1025534646.db2.gz FNNZQLIJLGEQAU-UHFFFAOYSA-N 2 2 391.515 3.777 20 0 GHADLP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC001139015410 1025772910 /nfs/dbraw/zinc/77/29/10/1025772910.db2.gz GZYHQRWOFYJWCZ-UHFFFAOYSA-N 2 2 386.506 3.730 20 0 GHADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCC[C@H](Sc3ccncc3)C2)c1 ZINC001139061389 1025852494 /nfs/dbraw/zinc/85/24/94/1025852494.db2.gz CJFXRHOMTMMDBE-QFIPXVFZSA-N 2 2 383.561 3.671 20 0 GHADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCC[C@H](Sc3ccncc3)C2)c1 ZINC001139061389 1025852509 /nfs/dbraw/zinc/85/25/09/1025852509.db2.gz CJFXRHOMTMMDBE-QFIPXVFZSA-N 2 2 383.561 3.671 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccsc1 ZINC001141610311 1025881730 /nfs/dbraw/zinc/88/17/30/1025881730.db2.gz IWONIGFDFAZVRT-HXUWFJFHSA-N 2 2 382.533 3.676 20 0 GHADLP FC1(F)C[NH2+]CC[C@H]1CCNc1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001162811395 1025925381 /nfs/dbraw/zinc/92/53/81/1025925381.db2.gz XTMDREJYLQCWEI-IBGZPJMESA-N 2 2 386.490 3.687 20 0 GHADLP FC1(F)C[NH2+]CC[C@H]1CCNc1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001162811395 1025925384 /nfs/dbraw/zinc/92/53/84/1025925384.db2.gz XTMDREJYLQCWEI-IBGZPJMESA-N 2 2 386.490 3.687 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(CNc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001162839284 1025935015 /nfs/dbraw/zinc/93/50/15/1025935015.db2.gz GBDPCLWVBJWUKB-HXUWFJFHSA-N 2 2 381.520 3.787 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(CNc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001162839284 1025935022 /nfs/dbraw/zinc/93/50/22/1025935022.db2.gz GBDPCLWVBJWUKB-HXUWFJFHSA-N 2 2 381.520 3.787 20 0 GHADLP COc1ccc(OC)c(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1N ZINC001139278957 1026127226 /nfs/dbraw/zinc/12/72/26/1026127226.db2.gz KXKZGZHDJSXMLP-XMMPIXPASA-N 2 2 395.547 3.774 20 0 GHADLP COc1ccc(OC)c(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1N ZINC001139278957 1026127235 /nfs/dbraw/zinc/12/72/35/1026127235.db2.gz KXKZGZHDJSXMLP-XMMPIXPASA-N 2 2 395.547 3.774 20 0 GHADLP COc1ccc(OC)c(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1N ZINC001139278957 1026127244 /nfs/dbraw/zinc/12/72/44/1026127244.db2.gz KXKZGZHDJSXMLP-XMMPIXPASA-N 2 2 395.547 3.774 20 0 GHADLP COc1ccc(OC)c(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1N ZINC001139278957 1026127250 /nfs/dbraw/zinc/12/72/50/1026127250.db2.gz KXKZGZHDJSXMLP-XMMPIXPASA-N 2 2 395.547 3.774 20 0 GHADLP CCOC(=O)c1cc2cc[nH+]c(NC3CC[NH+](C[C@H]4CC=CCC4)CC3)c2[nH]1 ZINC001163315710 1026140423 /nfs/dbraw/zinc/14/04/23/1026140423.db2.gz QQWMXEXBADZYSB-INIZCTEOSA-N 2 2 382.508 3.972 20 0 GHADLP C[N@H+](Cc1ccc(N2CCC(O)CC2)s1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139293832 1026144533 /nfs/dbraw/zinc/14/45/33/1026144533.db2.gz ZEKRKHFPFJAPHE-UHFFFAOYSA-N 2 2 382.533 3.527 20 0 GHADLP C[N@@H+](Cc1ccc(N2CCC(O)CC2)s1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139293832 1026144542 /nfs/dbraw/zinc/14/45/42/1026144542.db2.gz ZEKRKHFPFJAPHE-UHFFFAOYSA-N 2 2 382.533 3.527 20 0 GHADLP CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC001139357002 1026229520 /nfs/dbraw/zinc/22/95/20/1026229520.db2.gz WRGHXHSCSBIMLZ-GOSISDBHSA-N 2 2 382.508 3.561 20 0 GHADLP CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC001139357002 1026229528 /nfs/dbraw/zinc/22/95/28/1026229528.db2.gz WRGHXHSCSBIMLZ-GOSISDBHSA-N 2 2 382.508 3.561 20 0 GHADLP O=C1C[C@@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CN1c1cccc(F)c1 ZINC001139360493 1026233304 /nfs/dbraw/zinc/23/33/04/1026233304.db2.gz XUTZKGZQWXXYLU-HSZRJFAPSA-N 2 2 390.462 3.640 20 0 GHADLP O=C1C[C@@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CN1c1cccc(F)c1 ZINC001139360493 1026233315 /nfs/dbraw/zinc/23/33/15/1026233315.db2.gz XUTZKGZQWXXYLU-HSZRJFAPSA-N 2 2 390.462 3.640 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)[NH+]1CCCC[C@H]1C ZINC001141693766 1026271531 /nfs/dbraw/zinc/27/15/31/1026271531.db2.gz DEUUBCPKCYZEIB-UWVAXJGDSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)[NH+]1CCCC[C@H]1C ZINC001141693766 1026271543 /nfs/dbraw/zinc/27/15/43/1026271543.db2.gz DEUUBCPKCYZEIB-UWVAXJGDSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1)[N@@H+]1CCCC[C@H]1C ZINC001141693766 1026271553 /nfs/dbraw/zinc/27/15/53/1026271553.db2.gz DEUUBCPKCYZEIB-UWVAXJGDSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1)[N@H+]1CCCC[C@H]1C ZINC001141693766 1026271561 /nfs/dbraw/zinc/27/15/61/1026271561.db2.gz DEUUBCPKCYZEIB-UWVAXJGDSA-N 2 2 377.960 3.684 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2c(Cl)ccnc2Cl)CC3)cn1 ZINC001139479187 1026341537 /nfs/dbraw/zinc/34/15/37/1026341537.db2.gz LSFHEDOPWWCQCY-UHFFFAOYSA-N 2 2 394.350 3.753 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2c(Cl)ccnc2Cl)CC3)cn1 ZINC001139479187 1026341550 /nfs/dbraw/zinc/34/15/50/1026341550.db2.gz LSFHEDOPWWCQCY-UHFFFAOYSA-N 2 2 394.350 3.753 20 0 GHADLP C[N@H+](Cc1ccno1)Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139515146 1026371810 /nfs/dbraw/zinc/37/18/10/1026371810.db2.gz GCPULGSTUPVYAL-UHFFFAOYSA-N 2 2 376.504 3.629 20 0 GHADLP C[N@@H+](Cc1ccno1)Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139515146 1026371818 /nfs/dbraw/zinc/37/18/18/1026371818.db2.gz GCPULGSTUPVYAL-UHFFFAOYSA-N 2 2 376.504 3.629 20 0 GHADLP C[C@@]1(NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001164393268 1026505150 /nfs/dbraw/zinc/50/51/50/1026505150.db2.gz NEDJANBTAUOJFY-ZFGGDYGUSA-N 2 2 392.547 3.833 20 0 GHADLP C[C@@]1(NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001164393268 1026505156 /nfs/dbraw/zinc/50/51/56/1026505156.db2.gz NEDJANBTAUOJFY-ZFGGDYGUSA-N 2 2 392.547 3.833 20 0 GHADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@]4(C3)CCC[NH2+]C4)c12 ZINC001165244886 1026677972 /nfs/dbraw/zinc/67/79/72/1026677972.db2.gz YTKOJZKSEFLSRQ-QHCPKHFHSA-N 2 2 375.520 3.676 20 0 GHADLP Cc1ccc(N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)[nH+]c1C ZINC001165318358 1026702528 /nfs/dbraw/zinc/70/25/28/1026702528.db2.gz MRNHUDBYOYUPBO-OAHLLOKOSA-N 2 2 387.281 3.687 20 0 GHADLP Cc1c(NC(=O)C(C)(C)C)cc[nH+]c1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001165327215 1026705224 /nfs/dbraw/zinc/70/52/24/1026705224.db2.gz WJUGJJVPOPVUBG-UHFFFAOYSA-N 2 2 396.535 3.819 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001140020970 1026805296 /nfs/dbraw/zinc/80/52/96/1026805296.db2.gz FZUVXJUWVMCTCQ-RBUKOAKNSA-N 2 2 382.508 3.622 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001140020970 1026805301 /nfs/dbraw/zinc/80/53/01/1026805301.db2.gz FZUVXJUWVMCTCQ-RBUKOAKNSA-N 2 2 382.508 3.622 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001140021739 1026808135 /nfs/dbraw/zinc/80/81/35/1026808135.db2.gz PVBUKYYUIMTXBY-QFIPXVFZSA-N 2 2 382.508 3.766 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001140021739 1026808146 /nfs/dbraw/zinc/80/81/46/1026808146.db2.gz PVBUKYYUIMTXBY-QFIPXVFZSA-N 2 2 382.508 3.766 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCCC[C@H]1[C@@H](C(N)=O)c1ccccc1 ZINC001140026919 1026815628 /nfs/dbraw/zinc/81/56/28/1026815628.db2.gz PXAOXGULUIWKHB-GOTSBHOMSA-N 2 2 388.515 3.804 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCCC[C@H]1[C@@H](C(N)=O)c1ccccc1 ZINC001140026919 1026815636 /nfs/dbraw/zinc/81/56/36/1026815636.db2.gz PXAOXGULUIWKHB-GOTSBHOMSA-N 2 2 388.515 3.804 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001140027242 1026815739 /nfs/dbraw/zinc/81/57/39/1026815739.db2.gz DNSFGGAPXIXIOQ-OAQYLSRUSA-N 2 2 392.478 3.714 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001140027242 1026815741 /nfs/dbraw/zinc/81/57/41/1026815741.db2.gz DNSFGGAPXIXIOQ-OAQYLSRUSA-N 2 2 392.478 3.714 20 0 GHADLP Oc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(Cl)c1 ZINC001140083770 1026861055 /nfs/dbraw/zinc/86/10/55/1026861055.db2.gz FELPJTAJEXGYEF-UHFFFAOYSA-N 2 2 392.952 3.974 20 0 GHADLP Oc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(Cl)c1 ZINC001140083770 1026861062 /nfs/dbraw/zinc/86/10/62/1026861062.db2.gz FELPJTAJEXGYEF-UHFFFAOYSA-N 2 2 392.952 3.974 20 0 GHADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001209729110 1027125496 /nfs/dbraw/zinc/12/54/96/1027125496.db2.gz UKCBJOYEJKXQJT-GOSISDBHSA-N 2 2 381.524 3.714 20 0 GHADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001209729110 1027125504 /nfs/dbraw/zinc/12/55/04/1027125504.db2.gz UKCBJOYEJKXQJT-GOSISDBHSA-N 2 2 381.524 3.714 20 0 GHADLP Cc1cccn2cc(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc12 ZINC001209739197 1027131414 /nfs/dbraw/zinc/13/14/14/1027131414.db2.gz JGZCLLDZCOCNHK-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2cc(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc12 ZINC001209739197 1027131418 /nfs/dbraw/zinc/13/14/18/1027131418.db2.gz JGZCLLDZCOCNHK-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)nc12 ZINC001209739197 1027131426 /nfs/dbraw/zinc/13/14/26/1027131426.db2.gz JGZCLLDZCOCNHK-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2cc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)nc12 ZINC001209739197 1027131430 /nfs/dbraw/zinc/13/14/30/1027131430.db2.gz JGZCLLDZCOCNHK-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cccc3c1OCO3)C2 ZINC001141954409 1027737798 /nfs/dbraw/zinc/73/77/98/1027737798.db2.gz JWTVGUUFIWGRBQ-UHFFFAOYSA-N 2 2 391.471 3.594 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cccc3c1OCO3)C2 ZINC001141954409 1027737814 /nfs/dbraw/zinc/73/78/14/1027737814.db2.gz JWTVGUUFIWGRBQ-UHFFFAOYSA-N 2 2 391.471 3.594 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1cccc3c1OCO3)C2 ZINC001141954409 1027737828 /nfs/dbraw/zinc/73/78/28/1027737828.db2.gz JWTVGUUFIWGRBQ-UHFFFAOYSA-N 2 2 391.471 3.594 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1cccc3c1OCO3)C2 ZINC001141954409 1027737849 /nfs/dbraw/zinc/73/78/49/1027737849.db2.gz JWTVGUUFIWGRBQ-UHFFFAOYSA-N 2 2 391.471 3.594 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4c3OCO4)C[C@@H]21 ZINC001141956520 1027743319 /nfs/dbraw/zinc/74/33/19/1027743319.db2.gz KMNNBYDCCAYJGD-JRGCBEDISA-N 2 2 379.504 3.543 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4c3OCO4)C[C@@H]21 ZINC001141956520 1027743329 /nfs/dbraw/zinc/74/33/29/1027743329.db2.gz KMNNBYDCCAYJGD-JRGCBEDISA-N 2 2 379.504 3.543 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4c3OCO4)C[C@@H]21 ZINC001141956520 1027743337 /nfs/dbraw/zinc/74/33/37/1027743337.db2.gz KMNNBYDCCAYJGD-JRGCBEDISA-N 2 2 379.504 3.543 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3OCO4)C[C@@H]21 ZINC001141956520 1027743349 /nfs/dbraw/zinc/74/33/49/1027743349.db2.gz KMNNBYDCCAYJGD-JRGCBEDISA-N 2 2 379.504 3.543 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)CCO2 ZINC001461419478 1069542349 /nfs/dbraw/zinc/54/23/49/1069542349.db2.gz CFFGJUQOWJSWGB-JOCHJYFZSA-N 2 2 384.495 3.955 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC001215552341 1029276985 /nfs/dbraw/zinc/27/69/85/1029276985.db2.gz XLVZFRJAEJAVJD-NRFANRHFSA-N 2 2 397.519 3.656 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3-n3cc[nH+]c3)C[C@@H]2C1 ZINC000842674348 1029477238 /nfs/dbraw/zinc/47/72/38/1029477238.db2.gz NCVGMJIDVAAXQI-XUVXKRRUSA-N 2 2 396.535 3.998 20 0 GHADLP Clc1cc(C[NH2+]C[C@H]2COc3ccccc32)ccc1OCCn1cc[nH+]c1 ZINC001461556374 1069607614 /nfs/dbraw/zinc/60/76/14/1069607614.db2.gz YBTYWBVVRHPQNQ-KRWDZBQOSA-N 2 2 383.879 3.881 20 0 GHADLP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1cc(C)cc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC001222225701 1030020118 /nfs/dbraw/zinc/02/01/18/1030020118.db2.gz HETIFGUXYVFNBA-KRWDZBQOSA-N 2 2 384.442 3.521 20 0 GHADLP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1cc(C)cc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC001222225701 1030020136 /nfs/dbraw/zinc/02/01/36/1030020136.db2.gz HETIFGUXYVFNBA-KRWDZBQOSA-N 2 2 384.442 3.521 20 0 GHADLP FC(F)(F)c1cccc(-n2cc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)cn2)c1 ZINC001222272646 1030042551 /nfs/dbraw/zinc/04/25/51/1030042551.db2.gz YDIHUSUUCBPBFG-LJQANCHMSA-N 2 2 378.442 3.857 20 0 GHADLP FC(F)(F)c1cccc(-n2cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)cn2)c1 ZINC001222272646 1030042578 /nfs/dbraw/zinc/04/25/78/1030042578.db2.gz YDIHUSUUCBPBFG-LJQANCHMSA-N 2 2 378.442 3.857 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)ccc1C(F)(F)F ZINC001143344803 1030056010 /nfs/dbraw/zinc/05/60/10/1030056010.db2.gz ZQRMQHOIVHFGOB-QZTJIDSGSA-N 2 2 391.437 3.673 20 0 GHADLP Fc1cccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c1I ZINC001222320347 1030069892 /nfs/dbraw/zinc/06/98/92/1030069892.db2.gz GYSFLTGBSLVELB-MRXNPFEDSA-N 2 2 388.268 3.538 20 0 GHADLP Fc1cccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1I ZINC001222320347 1030069910 /nfs/dbraw/zinc/06/99/10/1030069910.db2.gz GYSFLTGBSLVELB-MRXNPFEDSA-N 2 2 388.268 3.538 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)cc(OC)c1Br ZINC001222321217 1030070636 /nfs/dbraw/zinc/07/06/36/1030070636.db2.gz SATAZCCVLGKZMJ-SFHVURJKSA-N 2 2 383.330 3.574 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc(OC)c1Br ZINC001222321217 1030070650 /nfs/dbraw/zinc/07/06/50/1030070650.db2.gz SATAZCCVLGKZMJ-SFHVURJKSA-N 2 2 383.330 3.574 20 0 GHADLP Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH+]ccc3Nc3ccccc3)C2)c1 ZINC001149850235 1030326368 /nfs/dbraw/zinc/32/63/68/1030326368.db2.gz ZTHZYPPCKMMEHH-OAQYLSRUSA-N 2 2 386.499 3.560 20 0 GHADLP Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH+]ccc3Nc3ccccc3)C2)c1 ZINC001149850235 1030326385 /nfs/dbraw/zinc/32/63/85/1030326385.db2.gz ZTHZYPPCKMMEHH-OAQYLSRUSA-N 2 2 386.499 3.560 20 0 GHADLP C[N@@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@H]2CC[NH2+]CC2(F)F)c1-3 ZINC001218009906 1030720770 /nfs/dbraw/zinc/72/07/70/1030720770.db2.gz KFKYWSXCCYMFRO-AEFFLSMTSA-N 2 2 386.442 3.520 20 0 GHADLP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@H]2CC[NH2+]CC2(F)F)c1-3 ZINC001218009906 1030720784 /nfs/dbraw/zinc/72/07/84/1030720784.db2.gz KFKYWSXCCYMFRO-AEFFLSMTSA-N 2 2 386.442 3.520 20 0 GHADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1csc(C(F)(F)F)c1-c1ccccc1 ZINC001218605687 1031001622 /nfs/dbraw/zinc/00/16/22/1031001622.db2.gz VGLCRQCXHKAYKG-GFCCVEGCSA-N 2 2 380.395 3.666 20 0 GHADLP CC(=O)c1ccc(Oc2ccc(NC(=O)c3ccc([C@@H]([NH3+])C[NH3+])cc3)cc2)cc1 ZINC001219228002 1031314500 /nfs/dbraw/zinc/31/45/00/1031314500.db2.gz VNPVXDHMRNBFSQ-QFIPXVFZSA-N 2 2 389.455 3.892 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2cc(Br)cc(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205303398 1033350958 /nfs/dbraw/zinc/35/09/58/1033350958.db2.gz DQOHKCODOIRFSV-PWSUYJOCSA-N 2 2 381.236 3.764 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205303398 1033350963 /nfs/dbraw/zinc/35/09/63/1033350963.db2.gz DQOHKCODOIRFSV-PWSUYJOCSA-N 2 2 381.236 3.764 20 0 GHADLP CC(C)[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)Cc1ccccc1F ZINC001461874543 1069818975 /nfs/dbraw/zinc/81/89/75/1069818975.db2.gz QWTCZGCGSBFMBV-UHFFFAOYSA-N 2 2 386.511 3.947 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)Cc1ccccc1F ZINC001461874543 1069818998 /nfs/dbraw/zinc/81/89/98/1069818998.db2.gz QWTCZGCGSBFMBV-UHFFFAOYSA-N 2 2 386.511 3.947 20 0 GHADLP COc1ccc(CN(c2nc(N3CCCC3)c(C)c[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158156162 1033940997 /nfs/dbraw/zinc/94/09/97/1033940997.db2.gz KSXUCQVHHOZWQR-MXVIHJGJSA-N 2 2 395.551 3.670 20 0 GHADLP Cc1ccc([C@]2(C)C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCO2)cc1 ZINC001206722413 1033958530 /nfs/dbraw/zinc/95/85/30/1033958530.db2.gz LRYHHZSYJYAWJY-DEOSSOPVSA-N 2 2 380.532 3.575 20 0 GHADLP Cc1ccc([C@]2(C)C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCO2)cc1 ZINC001206722413 1033958533 /nfs/dbraw/zinc/95/85/33/1033958533.db2.gz LRYHHZSYJYAWJY-DEOSSOPVSA-N 2 2 380.532 3.575 20 0 GHADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)cc1Br ZINC001206806751 1033992291 /nfs/dbraw/zinc/99/22/91/1033992291.db2.gz HLJOMTSDWSWCRB-QWRGUYRKSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)cc1Br ZINC001206806751 1033992296 /nfs/dbraw/zinc/99/22/96/1033992296.db2.gz HLJOMTSDWSWCRB-QWRGUYRKSA-N 2 2 381.236 3.907 20 0 GHADLP Clc1ccc2c(c1)[nH+]ccc2N1CCN(Cc2[nH+]cc3ccccn32)CC1 ZINC001207052001 1034072133 /nfs/dbraw/zinc/07/21/33/1034072133.db2.gz VQXLNEMZJZRTEK-UHFFFAOYSA-N 2 2 377.879 3.858 20 0 GHADLP COc1ccc(OC(F)(F)F)cc1Nc1ccc[nH+]c1N1CCC([NH3+])CC1 ZINC001159262716 1034510707 /nfs/dbraw/zinc/51/07/07/1034510707.db2.gz WSBOCMHVXSXONE-UHFFFAOYSA-N 2 2 382.386 3.660 20 0 GHADLP COc1ccc(OC(F)(F)F)cc1Nc1ccc(N2CCC([NH3+])CC2)[nH+]c1 ZINC001159322048 1034543505 /nfs/dbraw/zinc/54/35/05/1034543505.db2.gz YFCWKHLLRXSGHL-UHFFFAOYSA-N 2 2 382.386 3.660 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)ccc1O ZINC001231419161 1034569255 /nfs/dbraw/zinc/56/92/55/1034569255.db2.gz CIEOWLLUEBBJGP-KLJZETAQSA-N 2 2 396.531 3.574 20 0 GHADLP COC(=O)c1cc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)ccc1O ZINC001231419161 1034569265 /nfs/dbraw/zinc/56/92/65/1034569265.db2.gz CIEOWLLUEBBJGP-KLJZETAQSA-N 2 2 396.531 3.574 20 0 GHADLP COC(=O)c1cc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)ccc1O ZINC001231419161 1034569274 /nfs/dbraw/zinc/56/92/74/1034569274.db2.gz CIEOWLLUEBBJGP-KLJZETAQSA-N 2 2 396.531 3.574 20 0 GHADLP COC(=O)c1cc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)ccc1O ZINC001231419161 1034569285 /nfs/dbraw/zinc/56/92/85/1034569285.db2.gz CIEOWLLUEBBJGP-KLJZETAQSA-N 2 2 396.531 3.574 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001207827284 1034604593 /nfs/dbraw/zinc/60/45/93/1034604593.db2.gz JEVXQKYBNHBKMZ-NVXWUHKLSA-N 2 2 398.498 3.658 20 0 GHADLP COCCCOc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC001231545894 1034698789 /nfs/dbraw/zinc/69/87/89/1034698789.db2.gz YKIOSTYWFSLRAS-UHFFFAOYSA-N 2 2 395.503 3.928 20 0 GHADLP COCCCOc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC001231545894 1034698797 /nfs/dbraw/zinc/69/87/97/1034698797.db2.gz YKIOSTYWFSLRAS-UHFFFAOYSA-N 2 2 395.503 3.928 20 0 GHADLP CN(c1ccc(Nc2c(O)cccc2N2CC[NH2+]CC2)c[nH+]1)C1CCCCC1 ZINC001160010931 1034827655 /nfs/dbraw/zinc/82/76/55/1034827655.db2.gz DNKXMSLGPJBKAK-UHFFFAOYSA-N 2 2 381.524 3.709 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC(C)=O ZINC001231710263 1034850931 /nfs/dbraw/zinc/85/09/31/1034850931.db2.gz DFKQGHDBILBEAR-FCHUYYIVSA-N 2 2 394.515 3.574 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC(C)=O ZINC001231710263 1034850946 /nfs/dbraw/zinc/85/09/46/1034850946.db2.gz DFKQGHDBILBEAR-FCHUYYIVSA-N 2 2 394.515 3.574 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1OC(C)=O ZINC001231710263 1034850961 /nfs/dbraw/zinc/85/09/61/1034850961.db2.gz DFKQGHDBILBEAR-FCHUYYIVSA-N 2 2 394.515 3.574 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1OC(C)=O ZINC001231710263 1034850975 /nfs/dbraw/zinc/85/09/75/1034850975.db2.gz DFKQGHDBILBEAR-FCHUYYIVSA-N 2 2 394.515 3.574 20 0 GHADLP CCCOc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001231862425 1034950568 /nfs/dbraw/zinc/95/05/68/1034950568.db2.gz AICDZCQXKOSRRV-VJBMBRPKSA-N 2 2 394.563 3.998 20 0 GHADLP CCCOc1ncccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001231862425 1034950572 /nfs/dbraw/zinc/95/05/72/1034950572.db2.gz AICDZCQXKOSRRV-VJBMBRPKSA-N 2 2 394.563 3.998 20 0 GHADLP CCCOc1ncccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231862425 1034950574 /nfs/dbraw/zinc/95/05/74/1034950574.db2.gz AICDZCQXKOSRRV-VJBMBRPKSA-N 2 2 394.563 3.998 20 0 GHADLP CCCOc1ncccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231862425 1034950579 /nfs/dbraw/zinc/95/05/79/1034950579.db2.gz AICDZCQXKOSRRV-VJBMBRPKSA-N 2 2 394.563 3.998 20 0 GHADLP CCCOc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231862426 1034950739 /nfs/dbraw/zinc/95/07/39/1034950739.db2.gz AICDZCQXKOSRRV-WWPVKYPJSA-N 2 2 394.563 3.998 20 0 GHADLP CCCOc1ncccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231862426 1034950743 /nfs/dbraw/zinc/95/07/43/1034950743.db2.gz AICDZCQXKOSRRV-WWPVKYPJSA-N 2 2 394.563 3.998 20 0 GHADLP CCCOc1ncccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231862426 1034950748 /nfs/dbraw/zinc/95/07/48/1034950748.db2.gz AICDZCQXKOSRRV-WWPVKYPJSA-N 2 2 394.563 3.998 20 0 GHADLP CCCOc1ncccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231862426 1034950752 /nfs/dbraw/zinc/95/07/52/1034950752.db2.gz AICDZCQXKOSRRV-WWPVKYPJSA-N 2 2 394.563 3.998 20 0 GHADLP Cc1ccc([C@H](C(=O)N2CC[C@@H](c3ccccc3F)C2)[NH+]2CCC([NH3+])CC2)cc1 ZINC001160534046 1034996564 /nfs/dbraw/zinc/99/65/64/1034996564.db2.gz GVRRPPYTUMPLIH-AUSIDOKSSA-N 2 2 395.522 3.614 20 0 GHADLP CN(Cc1ccccc1Oc1ccccc1)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160751422 1035056920 /nfs/dbraw/zinc/05/69/20/1035056920.db2.gz UYCLGWOZAIRTIP-NRFANRHFSA-N 2 2 375.472 3.710 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ncc(Br)cc2C)CC1 ZINC001232046396 1035060524 /nfs/dbraw/zinc/06/05/24/1035060524.db2.gz KPYRBCSUYQOHOG-UHFFFAOYSA-N 2 2 375.314 3.595 20 0 GHADLP CN(C)C(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3Cl)CC2)CC1 ZINC001208873032 1035070599 /nfs/dbraw/zinc/07/05/99/1035070599.db2.gz WPNCLWJPPQTGIC-UHFFFAOYSA-N 2 2 391.987 3.537 20 0 GHADLP c1ccc(N2CCC(C[N@H+]3C[C@@H]4C[NH+](Cc5ccncc5)CC[C@@H]4C3)CC2)cc1 ZINC001208907620 1035083752 /nfs/dbraw/zinc/08/37/52/1035083752.db2.gz APHAOKKYIUQSOM-RPWUZVMVSA-N 2 2 390.575 3.752 20 0 GHADLP c1ccc(N2CCC(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccncc5)CC[C@@H]4C3)CC2)cc1 ZINC001208907620 1035083759 /nfs/dbraw/zinc/08/37/59/1035083759.db2.gz APHAOKKYIUQSOM-RPWUZVMVSA-N 2 2 390.575 3.752 20 0 GHADLP c1ccc(N2CCC(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccncc5)CC[C@@H]4C3)CC2)cc1 ZINC001208907620 1035083762 /nfs/dbraw/zinc/08/37/62/1035083762.db2.gz APHAOKKYIUQSOM-RPWUZVMVSA-N 2 2 390.575 3.752 20 0 GHADLP c1ccc(N2CCC(C[NH+]3C[C@@H]4C[N@H+](Cc5ccncc5)CC[C@@H]4C3)CC2)cc1 ZINC001208907620 1035083769 /nfs/dbraw/zinc/08/37/69/1035083769.db2.gz APHAOKKYIUQSOM-RPWUZVMVSA-N 2 2 390.575 3.752 20 0 GHADLP CCOc1ccccc1N1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208949471 1035120656 /nfs/dbraw/zinc/12/06/56/1035120656.db2.gz VYQLISBRPWSDTN-JOCHJYFZSA-N 2 2 379.548 3.729 20 0 GHADLP CCOc1ccccc1N1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208949471 1035120663 /nfs/dbraw/zinc/12/06/63/1035120663.db2.gz VYQLISBRPWSDTN-JOCHJYFZSA-N 2 2 379.548 3.729 20 0 GHADLP COc1cc2[nH+]c(NC3CC[NH+](Cc4ccncc4)CC3)ccc2c(OC)c1 ZINC001161105709 1035143476 /nfs/dbraw/zinc/14/34/76/1035143476.db2.gz NZSFGSHJJDEWIJ-UHFFFAOYSA-N 2 2 378.476 3.724 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H](CC[NH+]2CCC([NH+]3CCCCC3)CC2)COC1(C)C ZINC001209013681 1035150766 /nfs/dbraw/zinc/15/07/66/1035150766.db2.gz YCJCAUCDNRFMQY-IBGZPJMESA-N 2 2 395.588 3.699 20 0 GHADLP [NH3+][C@H]1CCCC[C@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000166673125 1035276434 /nfs/dbraw/zinc/27/64/34/1035276434.db2.gz RNJCPHYZRWLMGA-PKTZIBPZSA-N 2 2 388.515 3.732 20 0 GHADLP COc1ccc2c(cccc2-c2noc([C@@H]3CCC[N@@H+]3C3CC[NH2+]CC3)n2)c1 ZINC001248252113 1035702840 /nfs/dbraw/zinc/70/28/40/1035702840.db2.gz IOXRXOQHKMWREF-FQEVSTJZSA-N 2 2 378.476 3.787 20 0 GHADLP COc1ccc2c(cccc2-c2noc([C@@H]3CCC[N@H+]3C3CC[NH2+]CC3)n2)c1 ZINC001248252113 1035702859 /nfs/dbraw/zinc/70/28/59/1035702859.db2.gz IOXRXOQHKMWREF-FQEVSTJZSA-N 2 2 378.476 3.787 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc4c(cnn4[C@H]4CCCCO4)c3)c2)C1 ZINC001242450375 1035910339 /nfs/dbraw/zinc/91/03/39/1035910339.db2.gz FDOQNDUSMAKPPB-JTHBVZDNSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc4c(cnn4[C@H]4CCCCO4)c3)c2)C1 ZINC001242450375 1035910341 /nfs/dbraw/zinc/91/03/41/1035910341.db2.gz FDOQNDUSMAKPPB-JTHBVZDNSA-N 2 2 376.504 3.935 20 0 GHADLP Fc1ccccc1C[C@H]1C[NH2+][C@H](c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC001248584554 1035972370 /nfs/dbraw/zinc/97/23/70/1035972370.db2.gz MQBZNPZMVZDYHB-QRWLVFNGSA-N 2 2 389.434 3.955 20 0 GHADLP COc1ccc(C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C2CC2)cc1 ZINC001462045304 1069964837 /nfs/dbraw/zinc/96/48/37/1069964837.db2.gz IOIFRWCTZPWOTN-UHFFFAOYSA-N 2 2 396.531 3.571 20 0 GHADLP COc1ccc(C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C2CC2)cc1 ZINC001462045304 1069964843 /nfs/dbraw/zinc/96/48/43/1069964843.db2.gz IOIFRWCTZPWOTN-UHFFFAOYSA-N 2 2 396.531 3.571 20 0 GHADLP C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001462118941 1070007934 /nfs/dbraw/zinc/00/79/34/1070007934.db2.gz RSQRTCHHQZSAKC-QFBILLFUSA-N 2 2 386.458 3.560 20 0 GHADLP C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001462118941 1070007947 /nfs/dbraw/zinc/00/79/47/1070007947.db2.gz RSQRTCHHQZSAKC-QFBILLFUSA-N 2 2 386.458 3.560 20 0 GHADLP CCCC[C@H](CC)COC[C@H](O)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001246065750 1037177582 /nfs/dbraw/zinc/17/75/82/1037177582.db2.gz QGLGEYACOJQYDP-RBBKRZOGSA-N 2 2 388.596 3.717 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@H]([NH2+]CC[NH2+]Cc3ccccc3)CC[C@H]2C1 ZINC001246167654 1037220305 /nfs/dbraw/zinc/22/03/05/1037220305.db2.gz DFRBUILNHCCYPG-KMDXXIMOSA-N 2 2 391.559 3.697 20 0 GHADLP C[C@@]1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH2+]CC1(F)F ZINC001246218581 1037243860 /nfs/dbraw/zinc/24/38/60/1037243860.db2.gz BOSUSCPCCUIHGE-WOZUAGRISA-N 3 2 377.523 3.797 20 0 GHADLP C[C@@]1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH2+]CC1(F)F ZINC001246218581 1037243882 /nfs/dbraw/zinc/24/38/82/1037243882.db2.gz BOSUSCPCCUIHGE-WOZUAGRISA-N 3 2 377.523 3.797 20 0 GHADLP FC(F)(F)c1ccc(CC2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC[NH2+]CC2)cc1 ZINC001246429186 1037390200 /nfs/dbraw/zinc/39/02/00/1037390200.db2.gz NTRNMRQDJUNKLM-REPLKXPHSA-N 3 2 381.486 3.633 20 0 GHADLP C[C@H]1CC([N@H+]2C[C@H]3c4ccccc4CN[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246662425 1037533543 /nfs/dbraw/zinc/53/35/43/1037533543.db2.gz IZIDUDXXSGLTKX-QXVOXHNYSA-N 2 2 375.560 3.999 20 0 GHADLP C[C@H]1CC([N@@H+]2C[C@H]3c4ccccc4CN[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246662425 1037533549 /nfs/dbraw/zinc/53/35/49/1037533549.db2.gz IZIDUDXXSGLTKX-QXVOXHNYSA-N 2 2 375.560 3.999 20 0 GHADLP CC[C@@H]1C[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246704039 1037559502 /nfs/dbraw/zinc/55/95/02/1037559502.db2.gz UBYUZYBAIGURSX-PMOLBWCYSA-N 3 2 391.625 3.724 20 0 GHADLP CC[C@@H]1C[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246704039 1037559520 /nfs/dbraw/zinc/55/95/20/1037559520.db2.gz UBYUZYBAIGURSX-PMOLBWCYSA-N 3 2 391.625 3.724 20 0 GHADLP CCCC[C@@H]1C[C@@H]([NH+]2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246784747 1037624142 /nfs/dbraw/zinc/62/41/42/1037624142.db2.gz ZCKVDIQIFBKUTI-UXHICEINSA-N 2 2 394.401 3.878 20 0 GHADLP c1ccc2c(c1)N=C(N1CC[NH+]([C@H]3CCC[NH2+]CC3)CC1)c1ccccc1S2 ZINC001246788958 1037628316 /nfs/dbraw/zinc/62/83/16/1037628316.db2.gz AEYJSZHLJXKJML-SFHVURJKSA-N 2 2 392.572 3.989 20 0 GHADLP CCOC(=O)C[N@H+](CCC[NH3+])C1CCC(c2ccc(Br)cc2)CC1 ZINC001246923565 1037727686 /nfs/dbraw/zinc/72/76/86/1037727686.db2.gz NVPPGVZBXFLKMY-UHFFFAOYSA-N 2 2 397.357 3.689 20 0 GHADLP CCOC(=O)C[N@@H+](CCC[NH3+])C1CCC(c2ccc(Br)cc2)CC1 ZINC001246923565 1037727707 /nfs/dbraw/zinc/72/77/07/1037727707.db2.gz NVPPGVZBXFLKMY-UHFFFAOYSA-N 2 2 397.357 3.689 20 0 GHADLP O=C1C[C@H]([N@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC001246933047 1037736944 /nfs/dbraw/zinc/73/69/44/1037736944.db2.gz GBDOCSSUMVIQQW-PKTZIBPZSA-N 2 2 395.522 3.571 20 0 GHADLP O=C1C[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC001246933047 1037736967 /nfs/dbraw/zinc/73/69/67/1037736967.db2.gz GBDOCSSUMVIQQW-PKTZIBPZSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(OC1CCC([N@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC001246962744 1037785654 /nfs/dbraw/zinc/78/56/54/1037785654.db2.gz KNXAJLOGLZVQJJ-OOMBGRCJSA-N 2 2 393.531 3.804 20 0 GHADLP O=C(OC1CCC([N@@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC001246962744 1037785674 /nfs/dbraw/zinc/78/56/74/1037785674.db2.gz KNXAJLOGLZVQJJ-OOMBGRCJSA-N 2 2 393.531 3.804 20 0 GHADLP COc1cccc(OC2CC[NH+]([C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)n1 ZINC001246969062 1037793194 /nfs/dbraw/zinc/79/31/94/1037793194.db2.gz JCVGRBIICSEHLX-WIYYLYMNSA-N 2 2 399.510 3.874 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246991521 1037814679 /nfs/dbraw/zinc/81/46/79/1037814679.db2.gz UDOMZURWJGPDLY-YQVWRLOYSA-N 2 2 378.488 3.953 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246991521 1037814683 /nfs/dbraw/zinc/81/46/83/1037814683.db2.gz UDOMZURWJGPDLY-YQVWRLOYSA-N 2 2 378.488 3.953 20 0 GHADLP FC(F)(F)[C@H]1C[N@H+](Cc2ccccc2)CCN1C1CCC2(CC[NH2+]C2)CC1 ZINC001246996720 1037819859 /nfs/dbraw/zinc/81/98/59/1037819859.db2.gz ZKFNCGCBQJPFLV-IOJLRTSASA-N 2 2 381.486 3.657 20 0 GHADLP FC(F)(F)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C1CCC2(CC[NH2+]C2)CC1 ZINC001246996720 1037819881 /nfs/dbraw/zinc/81/98/81/1037819881.db2.gz ZKFNCGCBQJPFLV-IOJLRTSASA-N 2 2 381.486 3.657 20 0 GHADLP COc1cc(-c2nc3c(cccc3F)n2C2CC[NH2+]CC2)ccc1-n1cc[nH+]c1 ZINC001247026093 1037845201 /nfs/dbraw/zinc/84/52/01/1037845201.db2.gz GWDFQIMEEMPVJB-UHFFFAOYSA-N 2 2 391.450 3.961 20 0 GHADLP Fc1ccc(-c2noc([C@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)c2ccccc12 ZINC001247130957 1037938555 /nfs/dbraw/zinc/93/85/55/1037938555.db2.gz CWRQZUWLTDPPRB-QGZVFWFLSA-N 2 2 389.434 3.644 20 0 GHADLP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc([C@H]([NH3+])CC3CCCC3)n2)c1 ZINC001247834871 1038414495 /nfs/dbraw/zinc/41/44/95/1038414495.db2.gz NIFDJPOPGKTQEI-GOSISDBHSA-N 2 2 379.464 3.705 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cccc4ncsc42)CC3)cn1 ZINC001232734144 1038525489 /nfs/dbraw/zinc/52/54/89/1038525489.db2.gz PFQBIMQCOGJHFW-UHFFFAOYSA-N 2 2 381.549 3.660 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cccc4ncsc42)CC3)cn1 ZINC001232734144 1038525490 /nfs/dbraw/zinc/52/54/90/1038525490.db2.gz PFQBIMQCOGJHFW-UHFFFAOYSA-N 2 2 381.549 3.660 20 0 GHADLP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)COc1cccc2ccccc21)c1ccccc1 ZINC001252394695 1038977914 /nfs/dbraw/zinc/97/79/14/1038977914.db2.gz QGYRUYDDXGVIKZ-JTHBVZDNSA-N 2 2 378.516 3.862 20 0 GHADLP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cccc4[nH+]ccn42)CC3)c1 ZINC001233362297 1039189082 /nfs/dbraw/zinc/18/90/82/1039189082.db2.gz XAVXJENQBUPGTB-UHFFFAOYSA-N 3 2 390.531 3.831 20 0 GHADLP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cccc4[nH+]ccn42)CC3)c1 ZINC001233362297 1039189093 /nfs/dbraw/zinc/18/90/93/1039189093.db2.gz XAVXJENQBUPGTB-UHFFFAOYSA-N 3 2 390.531 3.831 20 0 GHADLP Oc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001252949309 1039293159 /nfs/dbraw/zinc/29/31/59/1039293159.db2.gz JOORSBJCRXTGIR-JWQCQUIFSA-N 2 2 388.511 3.708 20 0 GHADLP Oc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001252949309 1039293174 /nfs/dbraw/zinc/29/31/74/1039293174.db2.gz JOORSBJCRXTGIR-JWQCQUIFSA-N 2 2 388.511 3.708 20 0 GHADLP Cc1cc(C[NH+]2CCC([N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)sc1C ZINC001233699754 1039548554 /nfs/dbraw/zinc/54/85/54/1039548554.db2.gz CDIIQDACEQOGAN-KRWDZBQOSA-N 2 2 393.597 3.928 20 0 GHADLP Cc1cc(C[NH+]2CCC([N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)sc1C ZINC001233699754 1039548572 /nfs/dbraw/zinc/54/85/72/1039548572.db2.gz CDIIQDACEQOGAN-KRWDZBQOSA-N 2 2 393.597 3.928 20 0 GHADLP O[C@@H](C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2)C(c1ccccc1)c1ccccc1 ZINC001253922475 1039903638 /nfs/dbraw/zinc/90/36/38/1039903638.db2.gz CQYGXJRQIJWWCQ-QHCPKHFHSA-N 2 2 376.544 3.597 20 0 GHADLP O[C@@H](C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2)C(c1ccccc1)c1ccccc1 ZINC001253922475 1039903644 /nfs/dbraw/zinc/90/36/44/1039903644.db2.gz CQYGXJRQIJWWCQ-QHCPKHFHSA-N 2 2 376.544 3.597 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC([NH2+]C3CCC(F)(F)CC3)CC2)C1 ZINC001254214186 1040070469 /nfs/dbraw/zinc/07/04/69/1040070469.db2.gz CHVCLIBDLDGAHL-QGZVFWFLSA-N 2 2 387.515 3.628 20 0 GHADLP Fc1c[nH+]ccc1N([C@@H]1Cc2ccc(Br)cc2C1)C1CC[NH2+]CC1 ZINC001254287806 1040138560 /nfs/dbraw/zinc/13/85/60/1040138560.db2.gz DGCXBEKQMXHKLQ-QGZVFWFLSA-N 2 2 390.300 3.709 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[NH+]1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001254490144 1040274050 /nfs/dbraw/zinc/27/40/50/1040274050.db2.gz LFDMQMUSGNBGSQ-QHCPKHFHSA-N 2 2 393.575 3.898 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1cc3cccnc3s1)CC2 ZINC001235021123 1040512605 /nfs/dbraw/zinc/51/26/05/1040512605.db2.gz YXXJGXHMGJWHLC-UHFFFAOYSA-N 2 2 379.529 3.942 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1cc3cccnc3s1)CC2 ZINC001235021123 1040512622 /nfs/dbraw/zinc/51/26/22/1040512622.db2.gz YXXJGXHMGJWHLC-UHFFFAOYSA-N 2 2 379.529 3.942 20 0 GHADLP Brc1cc(CN2CCC[C@@H]2C[NH+]2CCCC2)ccc1-n1cc[nH+]c1 ZINC001235032213 1040523618 /nfs/dbraw/zinc/52/36/18/1040523618.db2.gz URDNACLJZWGPPA-QGZVFWFLSA-N 2 2 389.341 3.695 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H]2CC3CC[NH+](CC3)C2)(CC2CC2)CC1 ZINC001254842876 1040587034 /nfs/dbraw/zinc/58/70/34/1040587034.db2.gz BNZIFINBQJOJGD-FQEVSTJZSA-N 2 2 391.600 3.878 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)(CC2CC2)CC1 ZINC001254842877 1040587558 /nfs/dbraw/zinc/58/75/58/1040587558.db2.gz BNZIFINBQJOJGD-HXUWFJFHSA-N 2 2 391.600 3.878 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@]12CCC[N@@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254856538 1040601294 /nfs/dbraw/zinc/60/12/94/1040601294.db2.gz UZHZYFVYWWHOLH-DENIHFKCSA-N 2 2 377.573 3.726 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@]12CCC[N@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254856538 1040601301 /nfs/dbraw/zinc/60/13/01/1040601301.db2.gz UZHZYFVYWWHOLH-DENIHFKCSA-N 2 2 377.573 3.726 20 0 GHADLP FC1(F)CC[N@@H+]([C@H]2CC3CC[NH+](CC3)C2)C[C@]12CCN(c1ccccc1)C2 ZINC001254856518 1040601583 /nfs/dbraw/zinc/60/15/83/1040601583.db2.gz IAOTUGGYVDFUSG-LEWJYISDSA-N 2 2 375.507 3.708 20 0 GHADLP FC1(F)CC[N@H+]([C@H]2CC3CC[NH+](CC3)C2)C[C@]12CCN(c1ccccc1)C2 ZINC001254856518 1040601588 /nfs/dbraw/zinc/60/15/88/1040601588.db2.gz IAOTUGGYVDFUSG-LEWJYISDSA-N 2 2 375.507 3.708 20 0 GHADLP Cc1cc(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc(C)c1OCc1ccccc1 ZINC001235120608 1040611344 /nfs/dbraw/zinc/61/13/44/1040611344.db2.gz UNMXNIPZKQXMPL-XMMPIXPASA-N 2 2 380.532 3.837 20 0 GHADLP Cc1cc(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc(C)c1OCc1ccccc1 ZINC001235120608 1040611356 /nfs/dbraw/zinc/61/13/56/1040611356.db2.gz UNMXNIPZKQXMPL-XMMPIXPASA-N 2 2 380.532 3.837 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH+]3CCC(Oc4cc[nH+]cc4)CC3)C[C@@H]2C1 ZINC001254905502 1040658634 /nfs/dbraw/zinc/65/86/34/1040658634.db2.gz PCDHDNADCJQOTR-BCDXTJNWSA-N 2 2 387.524 3.570 20 0 GHADLP O=C(C[C@H]1CC2(CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)c2ccccc21)NCC1CC1 ZINC001235253207 1040734899 /nfs/dbraw/zinc/73/48/99/1040734899.db2.gz DAADDMFXYWVZIX-SFTDATJTSA-N 2 2 395.591 3.566 20 0 GHADLP O=C(C[C@H]1CC2(CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)c2ccccc21)NCC1CC1 ZINC001235253193 1040735743 /nfs/dbraw/zinc/73/57/43/1040735743.db2.gz DAADDMFXYWVZIX-LEWJYISDSA-N 2 2 395.591 3.566 20 0 GHADLP FC(F)(F)Oc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC001235270976 1040749295 /nfs/dbraw/zinc/74/92/95/1040749295.db2.gz OEFUEIPFLFDFIN-WBVHZDCISA-N 2 2 377.410 3.831 20 0 GHADLP FC(F)(F)Oc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC001235270976 1040749302 /nfs/dbraw/zinc/74/93/02/1040749302.db2.gz OEFUEIPFLFDFIN-WBVHZDCISA-N 2 2 377.410 3.831 20 0 GHADLP [NH2+]=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1F ZINC001255102876 1040784309 /nfs/dbraw/zinc/78/43/09/1040784309.db2.gz PVLXMBIEERUIQP-HNNXBMFYSA-N 2 2 376.273 3.778 20 0 GHADLP [NH2+]=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cc1F ZINC001255102876 1040784330 /nfs/dbraw/zinc/78/43/30/1040784330.db2.gz PVLXMBIEERUIQP-HNNXBMFYSA-N 2 2 376.273 3.778 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255139516 1040845274 /nfs/dbraw/zinc/84/52/74/1040845274.db2.gz DWSKCCLRWKIYFU-MNVIUDHYSA-N 2 2 397.563 3.876 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255139516 1040845281 /nfs/dbraw/zinc/84/52/81/1040845281.db2.gz DWSKCCLRWKIYFU-MNVIUDHYSA-N 2 2 397.563 3.876 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255139516 1040845288 /nfs/dbraw/zinc/84/52/88/1040845288.db2.gz DWSKCCLRWKIYFU-MNVIUDHYSA-N 2 2 397.563 3.876 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255139516 1040845292 /nfs/dbraw/zinc/84/52/92/1040845292.db2.gz DWSKCCLRWKIYFU-MNVIUDHYSA-N 2 2 397.563 3.876 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255139517 1040845626 /nfs/dbraw/zinc/84/56/26/1040845626.db2.gz DWSKCCLRWKIYFU-WIYBCGNWSA-N 2 2 397.563 3.876 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255139517 1040845627 /nfs/dbraw/zinc/84/56/27/1040845627.db2.gz DWSKCCLRWKIYFU-WIYBCGNWSA-N 2 2 397.563 3.876 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255139517 1040845630 /nfs/dbraw/zinc/84/56/30/1040845630.db2.gz DWSKCCLRWKIYFU-WIYBCGNWSA-N 2 2 397.563 3.876 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255139517 1040845635 /nfs/dbraw/zinc/84/56/35/1040845635.db2.gz DWSKCCLRWKIYFU-WIYBCGNWSA-N 2 2 397.563 3.876 20 0 GHADLP FC1(F)CN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@@H]1[NH+]1CCCC1 ZINC001255149365 1040867943 /nfs/dbraw/zinc/86/79/43/1040867943.db2.gz IAPKRUWLROYLSK-CBPXPLCBSA-N 2 2 389.534 3.987 20 0 GHADLP FC1(F)CN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@@H]1[NH+]1CCCC1 ZINC001255149365 1040867950 /nfs/dbraw/zinc/86/79/50/1040867950.db2.gz IAPKRUWLROYLSK-CBPXPLCBSA-N 2 2 389.534 3.987 20 0 GHADLP CN(C)c1ccnc(Cl)c1C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235377351 1040890100 /nfs/dbraw/zinc/89/01/00/1040890100.db2.gz APRVCLRKMPBKFZ-PGRDOPGGSA-N 2 2 384.955 3.554 20 0 GHADLP CN(C)c1ccnc(Cl)c1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235377351 1040890116 /nfs/dbraw/zinc/89/01/16/1040890116.db2.gz APRVCLRKMPBKFZ-PGRDOPGGSA-N 2 2 384.955 3.554 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(F)c1OC ZINC001235379602 1040899277 /nfs/dbraw/zinc/89/92/77/1040899277.db2.gz HWJCACTXHMGWRI-WMZHIEFXSA-N 2 2 384.495 3.596 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(F)c1OC ZINC001235379602 1040899296 /nfs/dbraw/zinc/89/92/96/1040899296.db2.gz HWJCACTXHMGWRI-WMZHIEFXSA-N 2 2 384.495 3.596 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC001255223934 1040915180 /nfs/dbraw/zinc/91/51/80/1040915180.db2.gz BRWWEKHWSGBGJM-LDLYASANSA-N 2 2 386.540 3.571 20 0 GHADLP Cc1cc(OC(C)C)ncc1C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001235426472 1040927833 /nfs/dbraw/zinc/92/78/33/1040927833.db2.gz WFFSJTBGWPEUEG-UHFFFAOYSA-N 2 2 397.567 3.541 20 0 GHADLP Cc1cc(OC(C)C)ncc1C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001235426472 1040927837 /nfs/dbraw/zinc/92/78/37/1040927837.db2.gz WFFSJTBGWPEUEG-UHFFFAOYSA-N 2 2 397.567 3.541 20 0 GHADLP CC[C@@H]([NH3+])C[NH+]1CCC(c2cc3c(ncn3C(C)C)c(N3CCCC3)n2)CC1 ZINC001235452102 1040944861 /nfs/dbraw/zinc/94/48/61/1040944861.db2.gz BNEQCUYTGUVTCT-GOSISDBHSA-N 2 2 384.572 3.529 20 0 GHADLP Cc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)c1 ZINC001235533842 1040978643 /nfs/dbraw/zinc/97/86/43/1040978643.db2.gz IQOCDJWUMBNFKU-GIVPXCGWSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)c1 ZINC001235533842 1040978651 /nfs/dbraw/zinc/97/86/51/1040978651.db2.gz IQOCDJWUMBNFKU-GIVPXCGWSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)c1 ZINC001235533842 1040978655 /nfs/dbraw/zinc/97/86/55/1040978655.db2.gz IQOCDJWUMBNFKU-GIVPXCGWSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)c1 ZINC001235533842 1040978657 /nfs/dbraw/zinc/97/86/57/1040978657.db2.gz IQOCDJWUMBNFKU-GIVPXCGWSA-N 2 2 387.959 3.613 20 0 GHADLP COc1cc(C)cc(OC)c1C[N@@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235646299 1041086417 /nfs/dbraw/zinc/08/64/17/1041086417.db2.gz KNHLDCUUWPUARG-UHFFFAOYSA-N 2 2 398.551 3.647 20 0 GHADLP COc1cc(C)cc(OC)c1C[N@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235646299 1041086434 /nfs/dbraw/zinc/08/64/34/1041086434.db2.gz KNHLDCUUWPUARG-UHFFFAOYSA-N 2 2 398.551 3.647 20 0 GHADLP FC(F)(F)c1ccc(Cl)c(Cl)c1CN1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001235697847 1041176628 /nfs/dbraw/zinc/17/66/28/1041176628.db2.gz BKECPICCNLXONM-UHFFFAOYSA-N 2 2 396.284 3.882 20 0 GHADLP Clc1cc(CN2CC[NH+](C3CC[NH2+]CC3)CC2)ccc1OCc1ccccc1 ZINC001235700160 1041179731 /nfs/dbraw/zinc/17/97/31/1041179731.db2.gz ZCDQEGQAMQWBOQ-UHFFFAOYSA-N 2 2 399.966 3.789 20 0 GHADLP Cc1cc(Br)cc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1F ZINC001235727736 1041212563 /nfs/dbraw/zinc/21/25/63/1041212563.db2.gz WWUHIZUAPUHHDZ-UHFFFAOYSA-N 2 2 384.293 3.527 20 0 GHADLP [NH3+]C[C@H]1CC[N@H+](Cc2cc(OCc3ccccc3)ccc2Br)C1 ZINC001235750708 1041238747 /nfs/dbraw/zinc/23/87/47/1041238747.db2.gz SOHAZXKOXUWPKU-MRXNPFEDSA-N 2 2 375.310 3.809 20 0 GHADLP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccc2Br)C1 ZINC001235750708 1041238760 /nfs/dbraw/zinc/23/87/60/1041238760.db2.gz SOHAZXKOXUWPKU-MRXNPFEDSA-N 2 2 375.310 3.809 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001235792947 1041287061 /nfs/dbraw/zinc/28/70/61/1041287061.db2.gz ZMCDVAVPGMRNBC-UHFFFAOYSA-N 2 2 393.560 3.663 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001235792947 1041287075 /nfs/dbraw/zinc/28/70/75/1041287075.db2.gz ZMCDVAVPGMRNBC-UHFFFAOYSA-N 2 2 393.560 3.663 20 0 GHADLP COCCC[N@H+](Cc1ccc2ncc(Br)cc2c1)[C@H]1CCC[NH2+]C1 ZINC001235809065 1041319725 /nfs/dbraw/zinc/31/97/25/1041319725.db2.gz IRUMONMAPJOOIR-SFHVURJKSA-N 2 2 392.341 3.588 20 0 GHADLP COCCC[N@@H+](Cc1ccc2ncc(Br)cc2c1)[C@H]1CCC[NH2+]C1 ZINC001235809065 1041319738 /nfs/dbraw/zinc/31/97/38/1041319738.db2.gz IRUMONMAPJOOIR-SFHVURJKSA-N 2 2 392.341 3.588 20 0 GHADLP CCC[N@H+](CCOc1c(Cl)cc(Cl)cc1Cl)C[C@@H]1C[NH2+]CCO1 ZINC001235819414 1041336470 /nfs/dbraw/zinc/33/64/70/1041336470.db2.gz DUPKSIYPPQJNNH-ZDUSSCGKSA-N 2 2 381.731 3.726 20 0 GHADLP CCC[N@@H+](CCOc1c(Cl)cc(Cl)cc1Cl)C[C@@H]1C[NH2+]CCO1 ZINC001235819414 1041336482 /nfs/dbraw/zinc/33/64/82/1041336482.db2.gz DUPKSIYPPQJNNH-ZDUSSCGKSA-N 2 2 381.731 3.726 20 0 GHADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255906843 1041389424 /nfs/dbraw/zinc/38/94/24/1041389424.db2.gz LPMLGXKTYGOJHN-OAQYLSRUSA-N 2 2 387.568 3.982 20 0 GHADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255906843 1041389437 /nfs/dbraw/zinc/38/94/37/1041389437.db2.gz LPMLGXKTYGOJHN-OAQYLSRUSA-N 2 2 387.568 3.982 20 0 GHADLP c1ccc(COc2cncc(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c2)cc1 ZINC001236010078 1041501550 /nfs/dbraw/zinc/50/15/50/1041501550.db2.gz KEFYEKDRYQQQQV-NOZRDPDXSA-N 2 2 385.511 3.634 20 0 GHADLP c1ccc(COc2cncc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c2)cc1 ZINC001236010078 1041501564 /nfs/dbraw/zinc/50/15/64/1041501564.db2.gz KEFYEKDRYQQQQV-NOZRDPDXSA-N 2 2 385.511 3.634 20 0 GHADLP O=C(c1ccsc1)N1CCC2(CC1)CC[NH+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256077198 1041511897 /nfs/dbraw/zinc/51/18/97/1041511897.db2.gz OJEKWCIKOBNALT-UHFFFAOYSA-N 2 2 387.593 3.693 20 0 GHADLP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C2CC[NH+](C4CC4)CC2)CC3)c1 ZINC001256078699 1041512625 /nfs/dbraw/zinc/51/26/25/1041512625.db2.gz QNTYBTYVDQVKNM-UHFFFAOYSA-N 3 2 383.580 3.610 20 0 GHADLP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C2CC[NH+](C4CC4)CC2)CC3)c1 ZINC001256078699 1041512632 /nfs/dbraw/zinc/51/26/32/1041512632.db2.gz QNTYBTYVDQVKNM-UHFFFAOYSA-N 3 2 383.580 3.610 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236215111 1041626397 /nfs/dbraw/zinc/62/63/97/1041626397.db2.gz HJYQGPGAIGRATP-LEWJYISDSA-N 2 2 382.504 3.754 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236215111 1041626407 /nfs/dbraw/zinc/62/64/07/1041626407.db2.gz HJYQGPGAIGRATP-LEWJYISDSA-N 2 2 382.504 3.754 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001236322317 1041671017 /nfs/dbraw/zinc/67/10/17/1041671017.db2.gz XFMKYBLMZBCOQB-CXAGYDPISA-N 2 2 380.870 3.510 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001236322317 1041671024 /nfs/dbraw/zinc/67/10/24/1041671024.db2.gz XFMKYBLMZBCOQB-CXAGYDPISA-N 2 2 380.870 3.510 20 0 GHADLP O=c1[nH]cc(C[N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)c2ccccc12 ZINC001236504826 1041743955 /nfs/dbraw/zinc/74/39/55/1041743955.db2.gz OFLAJRZLTDOGGA-UHFFFAOYSA-N 2 2 383.442 3.973 20 0 GHADLP O=c1[nH]cc(C[N@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)c2ccccc12 ZINC001236504826 1041743965 /nfs/dbraw/zinc/74/39/65/1041743965.db2.gz OFLAJRZLTDOGGA-UHFFFAOYSA-N 2 2 383.442 3.973 20 0 GHADLP COc1cc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cc(OC)c1Br ZINC001236654209 1041805154 /nfs/dbraw/zinc/80/51/54/1041805154.db2.gz NTSFBZFFMBUCHC-INIZCTEOSA-N 2 2 397.357 3.963 20 0 GHADLP COc1cc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cc(OC)c1Br ZINC001236654209 1041805155 /nfs/dbraw/zinc/80/51/55/1041805155.db2.gz NTSFBZFFMBUCHC-INIZCTEOSA-N 2 2 397.357 3.963 20 0 GHADLP Cc1ccc(C[N@H+](Cc2n[nH]cc2Br)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236723397 1041857255 /nfs/dbraw/zinc/85/72/55/1041857255.db2.gz VDGJBJKPDITLGV-WKILWMFISA-N 2 2 377.330 3.753 20 0 GHADLP Cc1ccc(C[N@@H+](Cc2n[nH]cc2Br)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236723397 1041857260 /nfs/dbraw/zinc/85/72/60/1041857260.db2.gz VDGJBJKPDITLGV-WKILWMFISA-N 2 2 377.330 3.753 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]CCCc2ccc3c(c2)CCO3)CCOCC1 ZINC001462573832 1070379994 /nfs/dbraw/zinc/37/99/94/1070379994.db2.gz PTKWFVKYPHGDJF-UHFFFAOYSA-N 2 2 394.559 3.825 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]CCCc2ccc3c(c2)CCO3)CCOCC1 ZINC001462573832 1070380020 /nfs/dbraw/zinc/38/00/20/1070380020.db2.gz PTKWFVKYPHGDJF-UHFFFAOYSA-N 2 2 394.559 3.825 20 0 GHADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Br)c(OC(F)(F)F)c3)C[C@@H]12 ZINC001236831911 1041921564 /nfs/dbraw/zinc/92/15/64/1041921564.db2.gz SASFRMSCICWTRJ-NQBHXWOUSA-N 2 2 379.220 3.517 20 0 GHADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)c(OC(F)(F)F)c3)C[C@@H]12 ZINC001236831911 1041921565 /nfs/dbraw/zinc/92/15/65/1041921565.db2.gz SASFRMSCICWTRJ-NQBHXWOUSA-N 2 2 379.220 3.517 20 0 GHADLP CCOc1cncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001236839141 1041924451 /nfs/dbraw/zinc/92/44/51/1041924451.db2.gz ROYMNPZOYPHIPI-VJBMBRPKSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1cncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001236839141 1041924457 /nfs/dbraw/zinc/92/44/57/1041924457.db2.gz ROYMNPZOYPHIPI-VJBMBRPKSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1cncc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001236839141 1041924459 /nfs/dbraw/zinc/92/44/59/1041924459.db2.gz ROYMNPZOYPHIPI-VJBMBRPKSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1cncc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001236839141 1041924461 /nfs/dbraw/zinc/92/44/61/1041924461.db2.gz ROYMNPZOYPHIPI-VJBMBRPKSA-N 2 2 380.536 3.608 20 0 GHADLP COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236902339 1041947612 /nfs/dbraw/zinc/94/76/12/1041947612.db2.gz HEFHVUFVGALOLW-GHTZIAJQSA-N 2 2 389.927 3.933 20 0 GHADLP COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236902339 1041947613 /nfs/dbraw/zinc/94/76/13/1041947613.db2.gz HEFHVUFVGALOLW-GHTZIAJQSA-N 2 2 389.927 3.933 20 0 GHADLP COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236902345 1041947898 /nfs/dbraw/zinc/94/78/98/1041947898.db2.gz HEFHVUFVGALOLW-WIYYLYMNSA-N 2 2 389.927 3.933 20 0 GHADLP COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236902345 1041947899 /nfs/dbraw/zinc/94/78/99/1041947899.db2.gz HEFHVUFVGALOLW-WIYYLYMNSA-N 2 2 389.927 3.933 20 0 GHADLP CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@H]1C ZINC001236907320 1041950724 /nfs/dbraw/zinc/95/07/24/1041950724.db2.gz BFPYZJZSWXHKSC-NVXWUHKLSA-N 2 2 375.900 3.937 20 0 GHADLP CCOC(=O)C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@H]1C ZINC001236907320 1041950725 /nfs/dbraw/zinc/95/07/25/1041950725.db2.gz BFPYZJZSWXHKSC-NVXWUHKLSA-N 2 2 375.900 3.937 20 0 GHADLP CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@@H]1C ZINC001236907318 1041950754 /nfs/dbraw/zinc/95/07/54/1041950754.db2.gz BFPYZJZSWXHKSC-DOTOQJQBSA-N 2 2 375.900 3.937 20 0 GHADLP CCOC(=O)C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@@H]1C ZINC001236907318 1041950759 /nfs/dbraw/zinc/95/07/59/1041950759.db2.gz BFPYZJZSWXHKSC-DOTOQJQBSA-N 2 2 375.900 3.937 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1C[NH+]1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001236916185 1041956439 /nfs/dbraw/zinc/95/64/39/1041956439.db2.gz BBCPIPPHWCHOSZ-IAGOWNOFSA-N 2 2 399.951 3.546 20 0 GHADLP O=C(NC1CCC1)[C@H]1CC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)CC2 ZINC001236916579 1041957470 /nfs/dbraw/zinc/95/74/70/1041957470.db2.gz FZBDMCQXZGIUDV-LJQANCHMSA-N 2 2 398.938 3.797 20 0 GHADLP COC(=O)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@@H]1c1ccccc1 ZINC001236929156 1041962116 /nfs/dbraw/zinc/96/21/16/1041962116.db2.gz PBLIROJPHODRJX-WOJBJXKFSA-N 2 2 395.890 3.914 20 0 GHADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@@H]1c1ccccc1 ZINC001236929156 1041962120 /nfs/dbraw/zinc/96/21/20/1041962120.db2.gz PBLIROJPHODRJX-WOJBJXKFSA-N 2 2 395.890 3.914 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c(OCc2ccccc2)cc1OC ZINC001237059777 1042015513 /nfs/dbraw/zinc/01/55/13/1042015513.db2.gz VHEWMBRHYRWAME-HSZRJFAPSA-N 2 2 384.520 3.844 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c(OCc2ccccc2)cc1OC ZINC001237059777 1042015520 /nfs/dbraw/zinc/01/55/20/1042015520.db2.gz VHEWMBRHYRWAME-HSZRJFAPSA-N 2 2 384.520 3.844 20 0 GHADLP Cc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1I ZINC001237160211 1042071813 /nfs/dbraw/zinc/07/18/13/1042071813.db2.gz HOAFHLUYUNKXTO-INIZCTEOSA-N 2 2 384.305 3.706 20 0 GHADLP Cc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1I ZINC001237160211 1042071818 /nfs/dbraw/zinc/07/18/18/1042071818.db2.gz HOAFHLUYUNKXTO-INIZCTEOSA-N 2 2 384.305 3.706 20 0 GHADLP FC(F)(F)c1ccc(N2CC([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC001462586662 1070392506 /nfs/dbraw/zinc/39/25/06/1070392506.db2.gz BJKKJRFBGCYXDY-UHFFFAOYSA-N 2 2 376.426 3.548 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3c(C)cc(F)cc3C)CC2)C1 ZINC001237318845 1042145358 /nfs/dbraw/zinc/14/53/58/1042145358.db2.gz VOCRMOPUHMPNRC-SFHVURJKSA-N 2 2 376.516 3.682 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c(C)cc(F)cc3C)CC2)C1 ZINC001237318845 1042145361 /nfs/dbraw/zinc/14/53/61/1042145361.db2.gz VOCRMOPUHMPNRC-SFHVURJKSA-N 2 2 376.516 3.682 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC(F)F)c(F)c1)C2 ZINC001237355025 1042165602 /nfs/dbraw/zinc/16/56/02/1042165602.db2.gz YERFYWKTARUTMA-UWJYYQICSA-N 2 2 398.469 3.607 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC(F)F)c(F)c1)C2 ZINC001237355025 1042165604 /nfs/dbraw/zinc/16/56/04/1042165604.db2.gz YERFYWKTARUTMA-UWJYYQICSA-N 2 2 398.469 3.607 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OC(F)F)c(F)c1)C2 ZINC001237355025 1042165607 /nfs/dbraw/zinc/16/56/07/1042165607.db2.gz YERFYWKTARUTMA-UWJYYQICSA-N 2 2 398.469 3.607 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C2 ZINC001237355025 1042165608 /nfs/dbraw/zinc/16/56/08/1042165608.db2.gz YERFYWKTARUTMA-UWJYYQICSA-N 2 2 398.469 3.607 20 0 GHADLP COC(=O)c1ccc2[nH]cc(C[NH+]3CCC4(CC3)[NH2+]Cc3ccccc34)c2c1 ZINC001237363345 1042170812 /nfs/dbraw/zinc/17/08/12/1042170812.db2.gz KHMFJZKNBZWJHP-UHFFFAOYSA-N 2 2 375.472 3.549 20 0 GHADLP CC(C)c1cccc(C[NH+]2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1 ZINC001237459374 1042217012 /nfs/dbraw/zinc/21/70/12/1042217012.db2.gz WTVMCYUKMHHVQN-UHFFFAOYSA-N 2 2 382.552 3.613 20 0 GHADLP CC(C)c1cccc(C[NH+]2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1 ZINC001237459374 1042217017 /nfs/dbraw/zinc/21/70/17/1042217017.db2.gz WTVMCYUKMHHVQN-UHFFFAOYSA-N 2 2 382.552 3.613 20 0 GHADLP CC(C)c1cccc(C[N@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)c1 ZINC001237459374 1042217019 /nfs/dbraw/zinc/21/70/19/1042217019.db2.gz WTVMCYUKMHHVQN-UHFFFAOYSA-N 2 2 382.552 3.613 20 0 GHADLP CC(C)c1cccc(C[N@@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)c1 ZINC001237459374 1042217024 /nfs/dbraw/zinc/21/70/24/1042217024.db2.gz WTVMCYUKMHHVQN-UHFFFAOYSA-N 2 2 382.552 3.613 20 0 GHADLP CCOC[C@H]1C[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)Cc2cn(C)nc21 ZINC001237879975 1042407634 /nfs/dbraw/zinc/40/76/34/1042407634.db2.gz ZLXUTWBLLLRFKK-HXUWFJFHSA-N 2 2 380.536 3.557 20 0 GHADLP CCOC[C@H]1C[N@@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)Cc2cn(C)nc21 ZINC001237879975 1042407636 /nfs/dbraw/zinc/40/76/36/1042407636.db2.gz ZLXUTWBLLLRFKK-HXUWFJFHSA-N 2 2 380.536 3.557 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)cc(SC)c3)CC2)C1 ZINC001238687853 1042685199 /nfs/dbraw/zinc/68/51/99/1042685199.db2.gz GZIVWWSATNLMGM-SFHVURJKSA-N 2 2 376.566 3.566 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)cc(SC)c3)CC2)C1 ZINC001238687853 1042685201 /nfs/dbraw/zinc/68/52/01/1042685201.db2.gz GZIVWWSATNLMGM-SFHVURJKSA-N 2 2 376.566 3.566 20 0 GHADLP [NH3+][C@H]1CCCN(c2cc(-c3ccn4cc[nH+]c4c3)nc(Oc3ccccc3)n2)C1 ZINC001240504105 1042936725 /nfs/dbraw/zinc/93/67/25/1042936725.db2.gz YYXJUWYJCVAAGA-KRWDZBQOSA-N 2 2 386.459 3.511 20 0 GHADLP C[NH+]1CCN(C2(c3ccc(-c4cc(F)c5c(c4)C[N@@H+](C)CC5)cc3)CC2)CC1 ZINC001240596582 1042945390 /nfs/dbraw/zinc/94/53/90/1042945390.db2.gz PNDZZIDJMAJUSL-UHFFFAOYSA-N 2 2 379.523 3.717 20 0 GHADLP C[NH+]1CCN(C2(c3ccc(-c4cc(F)c5c(c4)C[N@H+](C)CC5)cc3)CC2)CC1 ZINC001240596582 1042945392 /nfs/dbraw/zinc/94/53/92/1042945392.db2.gz PNDZZIDJMAJUSL-UHFFFAOYSA-N 2 2 379.523 3.717 20 0 GHADLP C[NH+](C)CCc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2F)cc1 ZINC001307095215 1043498677 /nfs/dbraw/zinc/49/86/77/1043498677.db2.gz WCNQTPHGHSRDNA-UHFFFAOYSA-N 2 2 390.466 3.671 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C3CC[NH+](C(C)(C)C)CC3)C[C@@H]21 ZINC001256571041 1043544138 /nfs/dbraw/zinc/54/41/38/1043544138.db2.gz AVOJVQJRKSTGTH-WTIAFYNJSA-N 3 2 384.612 3.877 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C3CC[NH+](C(C)(C)C)CC3)C[C@@H]21 ZINC001256571041 1043544151 /nfs/dbraw/zinc/54/41/51/1043544151.db2.gz AVOJVQJRKSTGTH-WTIAFYNJSA-N 3 2 384.612 3.877 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@@H]21 ZINC001256571041 1043544163 /nfs/dbraw/zinc/54/41/63/1043544163.db2.gz AVOJVQJRKSTGTH-WTIAFYNJSA-N 3 2 384.612 3.877 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@@H]21 ZINC001256571041 1043544168 /nfs/dbraw/zinc/54/41/68/1043544168.db2.gz AVOJVQJRKSTGTH-WTIAFYNJSA-N 3 2 384.612 3.877 20 0 GHADLP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@@H]21 ZINC001256571041 1043544176 /nfs/dbraw/zinc/54/41/76/1043544176.db2.gz AVOJVQJRKSTGTH-WTIAFYNJSA-N 2 2 384.612 3.877 20 0 GHADLP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@@H]21 ZINC001256571041 1043544186 /nfs/dbraw/zinc/54/41/86/1043544186.db2.gz AVOJVQJRKSTGTH-WTIAFYNJSA-N 2 2 384.612 3.877 20 0 GHADLP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccnc2)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256600642 1043564839 /nfs/dbraw/zinc/56/48/39/1043564839.db2.gz INYQQRPWZZDLJG-YHBQERECSA-N 3 2 378.564 3.818 20 0 GHADLP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256600642 1043564845 /nfs/dbraw/zinc/56/48/45/1043564845.db2.gz INYQQRPWZZDLJG-YHBQERECSA-N 3 2 378.564 3.818 20 0 GHADLP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256608892 1043573905 /nfs/dbraw/zinc/57/39/05/1043573905.db2.gz JDJKZXZLMTTXOJ-AZUAARDMSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256608892 1043573909 /nfs/dbraw/zinc/57/39/09/1043573909.db2.gz JDJKZXZLMTTXOJ-AZUAARDMSA-N 2 2 387.568 3.886 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256612635 1043578057 /nfs/dbraw/zinc/57/80/57/1043578057.db2.gz OIGMGHYPGIVIBC-OAQYLSRUSA-N 2 2 381.520 3.598 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256612635 1043578069 /nfs/dbraw/zinc/57/80/69/1043578069.db2.gz OIGMGHYPGIVIBC-OAQYLSRUSA-N 2 2 381.520 3.598 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCc3[nH+]ccn3CC2)C[C@H]1c1ccccc1 ZINC001256949989 1043768250 /nfs/dbraw/zinc/76/82/50/1043768250.db2.gz CCDCVZQRRAGLQH-PMACEKPBSA-N 2 2 396.535 3.882 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)C[C@H]1c1ccccc1 ZINC001256949989 1043768259 /nfs/dbraw/zinc/76/82/59/1043768259.db2.gz CCDCVZQRRAGLQH-PMACEKPBSA-N 2 2 396.535 3.882 20 0 GHADLP COC(=O)CC1CCC([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)CC1 ZINC001256979775 1043781617 /nfs/dbraw/zinc/78/16/17/1043781617.db2.gz WMXNAYOCVSTZQQ-UHFFFAOYSA-N 2 2 376.516 3.810 20 0 GHADLP CCOC(=O)[C@H]1CC[C@H]([NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)C1 ZINC001257060257 1043826465 /nfs/dbraw/zinc/82/64/65/1043826465.db2.gz JGZKKHFAIXIVQW-KXBFYZLASA-N 2 2 379.460 3.725 20 0 GHADLP CC[C@H]1C[C@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)CCN1C(=O)OC(C)(C)C ZINC001257141680 1043892793 /nfs/dbraw/zinc/89/27/93/1043892793.db2.gz JNPRARMIRGUTIR-PKOBYXMFSA-N 2 2 388.556 3.818 20 0 GHADLP CC(C)[NH+]1CCC([NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)CC1 ZINC001257217252 1043939708 /nfs/dbraw/zinc/93/97/08/1043939708.db2.gz LBZBEQSICWOYIL-UHFFFAOYSA-N 2 2 389.609 3.939 20 0 GHADLP CC(C)[NH+]1CCC([NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001257216992 1043940403 /nfs/dbraw/zinc/94/04/03/1043940403.db2.gz QDCZEZJJPSZBTM-QHCPKHFHSA-N 3 2 385.596 3.615 20 0 GHADLP CC(C)[NH+]1CCC([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001257216992 1043940407 /nfs/dbraw/zinc/94/04/07/1043940407.db2.gz QDCZEZJJPSZBTM-QHCPKHFHSA-N 3 2 385.596 3.615 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCC(c5ccccc5)CC4)C[C@H]3C2)cn1 ZINC001257997727 1044325788 /nfs/dbraw/zinc/32/57/88/1044325788.db2.gz IIPIJBAFPWQWCW-BIELFDCTSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C4CCC(c5ccccc5)CC4)C[C@H]3C2)cn1 ZINC001257997727 1044325799 /nfs/dbraw/zinc/32/57/99/1044325799.db2.gz IIPIJBAFPWQWCW-BIELFDCTSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCC(c5ccccc5)CC4)C[C@H]3C2)cn1 ZINC001257997727 1044325809 /nfs/dbraw/zinc/32/58/09/1044325809.db2.gz IIPIJBAFPWQWCW-BIELFDCTSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C4CCC(c5ccccc5)CC4)C[C@H]3C2)cn1 ZINC001257997727 1044325816 /nfs/dbraw/zinc/32/58/16/1044325816.db2.gz IIPIJBAFPWQWCW-BIELFDCTSA-N 2 2 378.564 3.900 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)CC2)cc1 ZINC001258146217 1044435796 /nfs/dbraw/zinc/43/57/96/1044435796.db2.gz SSVIGESDZVTJIW-JWQCQUIFSA-N 3 2 389.587 3.757 20 0 GHADLP CC1(C)COC2(CCC([NH2+][C@@H](C[NH3+])c3ccc(Br)cc3)CC2)OC1 ZINC001258519441 1044596836 /nfs/dbraw/zinc/59/68/36/1044596836.db2.gz FZUMLZSBALCJSP-KRWDZBQOSA-N 2 2 397.357 3.750 20 0 GHADLP CCCC[C@H](CCC)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001258763707 1044753659 /nfs/dbraw/zinc/75/36/59/1044753659.db2.gz AGEOQEDUGQSPOB-NRFANRHFSA-N 3 2 378.649 3.522 20 0 GHADLP COc1cc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc(OC)c1OC ZINC001258864130 1044804034 /nfs/dbraw/zinc/80/40/34/1044804034.db2.gz QRDNTZXWOWVPSH-RXVVDRJESA-N 2 2 398.547 3.898 20 0 GHADLP COc1cc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc(OC)c1OC ZINC001258864130 1044804059 /nfs/dbraw/zinc/80/40/59/1044804059.db2.gz QRDNTZXWOWVPSH-RXVVDRJESA-N 2 2 398.547 3.898 20 0 GHADLP CC[C@H](C(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C)[NH+](C)C ZINC001298564316 1045873417 /nfs/dbraw/zinc/87/34/17/1045873417.db2.gz LFPBVMIDSLOUFM-WOJBJXKFSA-N 2 2 379.976 3.739 20 0 GHADLP CC[C@H](C(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C)[NH+](C)C ZINC001298564316 1045873430 /nfs/dbraw/zinc/87/34/30/1045873430.db2.gz LFPBVMIDSLOUFM-WOJBJXKFSA-N 2 2 379.976 3.739 20 0 GHADLP Cc1[nH+]ccn1CCCCNC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001263085753 1046554143 /nfs/dbraw/zinc/55/41/43/1046554143.db2.gz KGPKAHTUCZEEHD-SFHVURJKSA-N 2 2 386.544 3.512 20 0 GHADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3[nH]nc4cc(Br)ccc43)C2)C1 ZINC001279296930 1047759500 /nfs/dbraw/zinc/75/95/00/1047759500.db2.gz RBYHCDHBZFAPNH-GOSISDBHSA-N 2 2 377.330 3.633 20 0 GHADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3[nH]nc4cc(Br)ccc43)C2)C1 ZINC001279296930 1047759506 /nfs/dbraw/zinc/75/95/06/1047759506.db2.gz RBYHCDHBZFAPNH-GOSISDBHSA-N 2 2 377.330 3.633 20 0 GHADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3[nH]nc4cc(Br)ccc43)C2)C1 ZINC001279296930 1047759510 /nfs/dbraw/zinc/75/95/10/1047759510.db2.gz RBYHCDHBZFAPNH-GOSISDBHSA-N 2 2 377.330 3.633 20 0 GHADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3[nH]nc4cc(Br)ccc43)C2)C1 ZINC001279296930 1047759514 /nfs/dbraw/zinc/75/95/14/1047759514.db2.gz RBYHCDHBZFAPNH-GOSISDBHSA-N 2 2 377.330 3.633 20 0 GHADLP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501766 1047826094 /nfs/dbraw/zinc/82/60/94/1047826094.db2.gz JKQCSJSALKWNLA-OALUTQOASA-N 3 2 375.523 3.849 20 0 GHADLP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501766 1047826102 /nfs/dbraw/zinc/82/61/02/1047826102.db2.gz JKQCSJSALKWNLA-OALUTQOASA-N 3 2 375.523 3.849 20 0 GHADLP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501766 1047826110 /nfs/dbraw/zinc/82/61/10/1047826110.db2.gz JKQCSJSALKWNLA-OALUTQOASA-N 3 2 375.523 3.849 20 0 GHADLP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501766 1047826116 /nfs/dbraw/zinc/82/61/16/1047826116.db2.gz JKQCSJSALKWNLA-OALUTQOASA-N 3 2 375.523 3.849 20 0 GHADLP Fc1c(Cl)ccc(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c1F ZINC001279709278 1047928353 /nfs/dbraw/zinc/92/83/53/1047928353.db2.gz DNEJOENHIPRZKZ-UHFFFAOYSA-N 2 2 380.870 3.829 20 0 GHADLP Fc1c(Cl)ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1F ZINC001279709278 1047928361 /nfs/dbraw/zinc/92/83/61/1047928361.db2.gz DNEJOENHIPRZKZ-UHFFFAOYSA-N 2 2 380.870 3.829 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H](Nc3cc(C)[nH+]c(C4CCC4)n3)C2)cc(OC)c1 ZINC001306994339 1048997054 /nfs/dbraw/zinc/99/70/54/1048997054.db2.gz ADNWBRRRFGJVOZ-SFHVURJKSA-N 2 2 382.508 3.756 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H](Nc3cc(C)[nH+]c(C4CCC4)n3)C2)cc(OC)c1 ZINC001306994339 1048997061 /nfs/dbraw/zinc/99/70/61/1048997061.db2.gz ADNWBRRRFGJVOZ-SFHVURJKSA-N 2 2 382.508 3.756 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC001307710135 1049525280 /nfs/dbraw/zinc/52/52/80/1049525280.db2.gz LCXJWCWOPSYADP-NRFANRHFSA-N 2 2 388.502 3.712 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC001307710135 1049525289 /nfs/dbraw/zinc/52/52/89/1049525289.db2.gz LCXJWCWOPSYADP-NRFANRHFSA-N 2 2 388.502 3.712 20 0 GHADLP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001290006207 1049706781 /nfs/dbraw/zinc/70/67/81/1049706781.db2.gz LHYZIYHTSDLUOQ-FQEVSTJZSA-N 2 2 383.580 3.738 20 0 GHADLP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC001290006207 1049706792 /nfs/dbraw/zinc/70/67/92/1049706792.db2.gz LHYZIYHTSDLUOQ-FQEVSTJZSA-N 2 2 383.580 3.738 20 0 GHADLP CCOC(=O)c1sc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)nc1C ZINC001308027988 1049779755 /nfs/dbraw/zinc/77/97/55/1049779755.db2.gz JLFMIJPHSHASNZ-UHFFFAOYSA-N 2 2 379.570 3.684 20 0 GHADLP C[C@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC001308230677 1049920309 /nfs/dbraw/zinc/92/03/09/1049920309.db2.gz CMEGCHXXBFOEFA-CABCVRRESA-N 2 2 381.483 3.542 20 0 GHADLP Clc1ccc(-c2cccc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)c2)cc1 ZINC001308260802 1049929437 /nfs/dbraw/zinc/92/94/37/1049929437.db2.gz FEAJJKTZWCOJBY-HSZRJFAPSA-N 2 2 399.966 3.503 20 0 GHADLP C[N@H+](Cc1cc2c(cccc2O)s1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001308887801 1050140788 /nfs/dbraw/zinc/14/07/88/1050140788.db2.gz TUPTXMXYQYXDDL-QFIPXVFZSA-N 2 2 382.529 3.676 20 0 GHADLP C[N@@H+](Cc1cc2c(cccc2O)s1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001308887801 1050140791 /nfs/dbraw/zinc/14/07/91/1050140791.db2.gz TUPTXMXYQYXDDL-QFIPXVFZSA-N 2 2 382.529 3.676 20 0 GHADLP C[NH+](Cc1cc2c(cccc2O)s1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001308887801 1050140793 /nfs/dbraw/zinc/14/07/93/1050140793.db2.gz TUPTXMXYQYXDDL-QFIPXVFZSA-N 2 2 382.529 3.676 20 0 GHADLP C[NH+](Cc1cc2c(cccc2O)s1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001308887801 1050140795 /nfs/dbraw/zinc/14/07/95/1050140795.db2.gz TUPTXMXYQYXDDL-QFIPXVFZSA-N 2 2 382.529 3.676 20 0 GHADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2C2CCCCC2)C1 ZINC001308913990 1050162561 /nfs/dbraw/zinc/16/25/61/1050162561.db2.gz IDALMYGXNAVKMB-RJGXRXQPSA-N 2 2 377.617 3.512 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)c1ccccc1 ZINC001311421860 1052125487 /nfs/dbraw/zinc/12/54/87/1052125487.db2.gz YVPRTSYINFAEGJ-UXHICEINSA-N 2 2 397.567 3.830 20 0 GHADLP CCNc1cc(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc[nH+]1 ZINC001311764217 1052381791 /nfs/dbraw/zinc/38/17/91/1052381791.db2.gz FPOOVSIDUJQLEQ-UHFFFAOYSA-N 2 2 395.551 3.889 20 0 GHADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001312053837 1052549681 /nfs/dbraw/zinc/54/96/81/1052549681.db2.gz CKCVJBPDPUOOKY-UNMCSNQZSA-N 2 2 397.567 3.805 20 0 GHADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001312053837 1052549689 /nfs/dbraw/zinc/54/96/89/1052549689.db2.gz CKCVJBPDPUOOKY-UNMCSNQZSA-N 2 2 397.567 3.805 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC001312854854 1052893979 /nfs/dbraw/zinc/89/39/79/1052893979.db2.gz JJCSSLFGIRASNL-ICSRJNTNSA-N 2 2 394.991 3.549 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC001312854854 1052893984 /nfs/dbraw/zinc/89/39/84/1052893984.db2.gz JJCSSLFGIRASNL-ICSRJNTNSA-N 2 2 394.991 3.549 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001318504889 1054686687 /nfs/dbraw/zinc/68/66/87/1054686687.db2.gz PKGIYUILQDZAPZ-HSZRJFAPSA-N 2 2 388.515 3.852 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001318504889 1054686696 /nfs/dbraw/zinc/68/66/96/1054686696.db2.gz PKGIYUILQDZAPZ-HSZRJFAPSA-N 2 2 388.515 3.852 20 0 GHADLP Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001318541709 1054709281 /nfs/dbraw/zinc/70/92/81/1054709281.db2.gz NQINDRVJCGVRJE-UHFFFAOYSA-N 2 2 380.496 3.616 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001319490543 1055286805 /nfs/dbraw/zinc/28/68/05/1055286805.db2.gz NYEDLSXJHIRHGQ-PKOBYXMFSA-N 2 2 398.576 3.864 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001319490543 1055286818 /nfs/dbraw/zinc/28/68/18/1055286818.db2.gz NYEDLSXJHIRHGQ-PKOBYXMFSA-N 2 2 398.576 3.864 20 0 GHADLP S=c1oc(-c2ccccc2)cn1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC001325257809 1057300140 /nfs/dbraw/zinc/30/01/40/1057300140.db2.gz BQTUNKLSZQAOSV-UHFFFAOYSA-N 2 2 387.549 3.869 20 0 GHADLP CC(C)(C)OC(=O)NCCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001326429747 1057481781 /nfs/dbraw/zinc/48/17/81/1057481781.db2.gz GURJIKXMBAWXMX-IBGZPJMESA-N 2 2 375.557 3.934 20 0 GHADLP CC(C)(C)OC(=O)NCCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001326429747 1057481785 /nfs/dbraw/zinc/48/17/85/1057481785.db2.gz GURJIKXMBAWXMX-IBGZPJMESA-N 2 2 375.557 3.934 20 0 GHADLP CC(C)Oc1ccc([C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)[NH+](C)C)cc1 ZINC000849077928 1057583189 /nfs/dbraw/zinc/58/31/89/1057583189.db2.gz QFXUKYJYNUQMDG-NHCUHLMSSA-N 2 2 396.535 3.714 20 0 GHADLP COc1cccc([C@@H](CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)[NH+](C)C)c1 ZINC000849083663 1057586562 /nfs/dbraw/zinc/58/65/62/1057586562.db2.gz CYLXXGMXMNLHGX-QGZVFWFLSA-N 2 2 396.413 3.833 20 0 GHADLP Cc1nc(-c2ccccc2)n(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC001339452362 1059222845 /nfs/dbraw/zinc/22/28/45/1059222845.db2.gz CVUCWELTGNWDLB-UHFFFAOYSA-N 2 2 376.508 3.623 20 0 GHADLP C[NH+](C)Cc1ccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cn1 ZINC001448552516 1060215241 /nfs/dbraw/zinc/21/52/41/1060215241.db2.gz QMJWVVXZKBPDMO-UHFFFAOYSA-N 2 2 375.476 3.595 20 0 GHADLP CCNc1cc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC001346578674 1061699775 /nfs/dbraw/zinc/69/97/75/1061699775.db2.gz XKIHRMAQIRQOLY-RXVVDRJESA-N 2 2 395.551 3.708 20 0 GHADLP CCNc1cc(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC001346578674 1061699780 /nfs/dbraw/zinc/69/97/80/1061699780.db2.gz XKIHRMAQIRQOLY-RXVVDRJESA-N 2 2 395.551 3.708 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@@H]1CCC[NH2+]C1 ZINC001349488030 1063749921 /nfs/dbraw/zinc/74/99/21/1063749921.db2.gz ZLIYQVJSQDRDFV-DLBZAZTESA-N 2 2 383.540 3.513 20 0 GHADLP CC(C)[C@@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC001350328942 1064057656 /nfs/dbraw/zinc/05/76/56/1064057656.db2.gz YXAYHNZUWOVVBX-UXHICEINSA-N 2 2 379.976 3.815 20 0 GHADLP CCc1nc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)sc1C ZINC001459673405 1064163241 /nfs/dbraw/zinc/16/32/41/1064163241.db2.gz UEROSXJHNZHDKB-INIZCTEOSA-N 2 2 392.613 3.929 20 0 GHADLP CCc1nc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)sc1C ZINC001459673405 1064163244 /nfs/dbraw/zinc/16/32/44/1064163244.db2.gz UEROSXJHNZHDKB-INIZCTEOSA-N 2 2 392.613 3.929 20 0 GHADLP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001465536488 1065699115 /nfs/dbraw/zinc/69/91/15/1065699115.db2.gz WKXVWSROZDAKET-VXKWHMMOSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001465536488 1065699121 /nfs/dbraw/zinc/69/91/21/1065699121.db2.gz WKXVWSROZDAKET-VXKWHMMOSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001465536488 1065699124 /nfs/dbraw/zinc/69/91/24/1065699124.db2.gz WKXVWSROZDAKET-VXKWHMMOSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001465536488 1065699133 /nfs/dbraw/zinc/69/91/33/1065699133.db2.gz WKXVWSROZDAKET-VXKWHMMOSA-N 2 2 387.543 3.561 20 0 GHADLP CC(C)[C@H](CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCC(C)CC1 ZINC001467669099 1067408780 /nfs/dbraw/zinc/40/87/80/1067408780.db2.gz SOURDSMVMXBGHW-KNQAVFIVSA-N 2 2 397.567 3.989 20 0 GHADLP Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)[NH+](C)C)cc1 ZINC001468351406 1067699069 /nfs/dbraw/zinc/69/90/69/1067699069.db2.gz PGQDNIGPMACOLM-AVRDEDQJSA-N 2 2 391.519 3.844 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001460325130 1068925403 /nfs/dbraw/zinc/92/54/03/1068925403.db2.gz HELVGAGTTFFMNM-RBUKOAKNSA-N 2 2 384.524 3.962 20 0 GHADLP CCNc1cc(CNC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cc[nH+]1 ZINC001471393022 1073050434 /nfs/dbraw/zinc/05/04/34/1073050434.db2.gz ASJBATZPTLVKHG-UHFFFAOYSA-N 2 2 375.561 3.555 20 0 GHADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001473211328 1073863556 /nfs/dbraw/zinc/86/35/56/1073863556.db2.gz XLTVQOFVUJICEJ-XMMPIXPASA-N 2 2 379.548 3.620 20 0 GHADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001473211328 1073863567 /nfs/dbraw/zinc/86/35/67/1073863567.db2.gz XLTVQOFVUJICEJ-XMMPIXPASA-N 2 2 379.548 3.620 20 0 GHADLP CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001473395174 1073947924 /nfs/dbraw/zinc/94/79/24/1073947924.db2.gz JRQTZPVHKGGCIY-JWQCQUIFSA-N 2 2 396.575 3.941 20 0 GHADLP CC[C@@](C)(O)C[N@H+](Cc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001473395174 1073947927 /nfs/dbraw/zinc/94/79/27/1073947927.db2.gz JRQTZPVHKGGCIY-JWQCQUIFSA-N 2 2 396.575 3.941 20 0 GHADLP CC[C@@](C)(O)C[NH+](Cc1ccccc1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001473395174 1073947928 /nfs/dbraw/zinc/94/79/28/1073947928.db2.gz JRQTZPVHKGGCIY-JWQCQUIFSA-N 2 2 396.575 3.941 20 0 GHADLP CC[C@@](C)(O)C[NH+](Cc1ccccc1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001473395174 1073947932 /nfs/dbraw/zinc/94/79/32/1073947932.db2.gz JRQTZPVHKGGCIY-JWQCQUIFSA-N 2 2 396.575 3.941 20 0 GHADLP CC(C)COc1cccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC001473684796 1074085821 /nfs/dbraw/zinc/08/58/21/1074085821.db2.gz LDHVNQDYDMEZJF-XMMPIXPASA-N 2 2 382.548 3.790 20 0 GHADLP CC(C)COc1cccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC001473684796 1074085824 /nfs/dbraw/zinc/08/58/24/1074085824.db2.gz LDHVNQDYDMEZJF-XMMPIXPASA-N 2 2 382.548 3.790 20 0 GHADLP CC(C)COc1cccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001473684796 1074085828 /nfs/dbraw/zinc/08/58/28/1074085828.db2.gz LDHVNQDYDMEZJF-XMMPIXPASA-N 2 2 382.548 3.790 20 0 GHADLP CC(C)COc1cccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001473684796 1074085832 /nfs/dbraw/zinc/08/58/32/1074085832.db2.gz LDHVNQDYDMEZJF-XMMPIXPASA-N 2 2 382.548 3.790 20 0 GHADLP CC(C)Cc1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001473960189 1074218698 /nfs/dbraw/zinc/21/86/98/1074218698.db2.gz BVBNCZSCGXIOBR-UHFFFAOYSA-N 2 2 382.548 3.886 20 0 GHADLP Clc1cc(C[NH2+]C[C@H]2Cc3ccccc3O2)ccc1OCCn1cc[nH+]c1 ZINC001473984285 1074226392 /nfs/dbraw/zinc/22/63/92/1074226392.db2.gz ZGCXJKLQLBAREQ-GOSISDBHSA-N 2 2 383.879 3.709 20 0 GHADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)C1 ZINC001473989020 1074227326 /nfs/dbraw/zinc/22/73/26/1074227326.db2.gz OXTSAMFWJIYCDW-LJQANCHMSA-N 3 2 390.959 3.826 20 0 GHADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)C1 ZINC001473989020 1074227330 /nfs/dbraw/zinc/22/73/30/1074227330.db2.gz OXTSAMFWJIYCDW-LJQANCHMSA-N 3 2 390.959 3.826 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(C)(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001474085444 1074259031 /nfs/dbraw/zinc/25/90/31/1074259031.db2.gz VLTNFSYEFNXTOJ-UHFFFAOYSA-N 2 2 384.524 3.999 20 0 GHADLP CC(C)(C)OC(=O)NCC1(C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC001474472693 1074422642 /nfs/dbraw/zinc/42/26/42/1074422642.db2.gz CTOLJUCUEQBSJQ-UHFFFAOYSA-N 2 2 379.589 3.927 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C[C@@H]1C(F)(F)F ZINC001474658219 1074503602 /nfs/dbraw/zinc/50/36/02/1074503602.db2.gz GSYWNWPNAFVSBA-LLLHUVSDSA-N 2 2 376.463 3.503 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C[C@@H]1C(F)(F)F ZINC001474658219 1074503606 /nfs/dbraw/zinc/50/36/06/1074503606.db2.gz GSYWNWPNAFVSBA-LLLHUVSDSA-N 2 2 376.463 3.503 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccccc1NC(C)=O ZINC001474762830 1074549684 /nfs/dbraw/zinc/54/96/84/1074549684.db2.gz QXUMOJXVIPQMLQ-UHFFFAOYSA-N 2 2 379.508 3.949 20 0 GHADLP Cc1cccc(C[C@H](CO)[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)c1 ZINC001650952576 1126252303 /nfs/dbraw/zinc/25/23/03/1126252303.db2.gz MCFXNQBNGJZASZ-HXUWFJFHSA-N 2 2 399.922 3.617 20 0 GHADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000823792561 606125442 /nfs/dbraw/zinc/12/54/42/606125442.db2.gz XRQNAZCQHYZQCI-KRWDZBQOSA-N 2 2 391.523 3.507 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000824532522 609338146 /nfs/dbraw/zinc/33/81/46/609338146.db2.gz VJTMDUNZAHQLSZ-KGLIPLIRSA-N 2 2 377.427 3.603 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824554407 609338330 /nfs/dbraw/zinc/33/83/30/609338330.db2.gz PPIZWVSKZWAXFI-VWKPWSFCSA-N 2 2 394.498 3.567 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824554407 609338333 /nfs/dbraw/zinc/33/83/33/609338333.db2.gz PPIZWVSKZWAXFI-VWKPWSFCSA-N 2 2 394.498 3.567 20 0 GHADLP COc1cc(C)c[nH+]c1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906602 721716709 /nfs/dbraw/zinc/71/67/09/721716709.db2.gz NEBLAQWDXVKSNT-FQEVSTJZSA-N 2 2 388.462 3.531 20 0 GHADLP COc1cc(C)c[nH+]c1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906602 721716717 /nfs/dbraw/zinc/71/67/17/721716717.db2.gz NEBLAQWDXVKSNT-FQEVSTJZSA-N 2 2 388.462 3.531 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001267591597 837526082 /nfs/dbraw/zinc/52/60/82/837526082.db2.gz OXVUUXOXKLKRRL-TYCQWZJGSA-N 2 2 385.939 3.579 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001267591597 837526085 /nfs/dbraw/zinc/52/60/85/837526085.db2.gz OXVUUXOXKLKRRL-TYCQWZJGSA-N 2 2 385.939 3.579 20 0 GHADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000472604860 837540048 /nfs/dbraw/zinc/54/00/48/837540048.db2.gz ZOEBIIGCVGCVRY-UHFFFAOYSA-N 2 2 380.323 3.634 20 0 GHADLP C[NH+]1CCC2(CCC[N@H+]2Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000472604860 837540062 /nfs/dbraw/zinc/54/00/62/837540062.db2.gz ZOEBIIGCVGCVRY-UHFFFAOYSA-N 2 2 380.323 3.634 20 0 GHADLP Fc1cccc(Oc2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cn2)c1 ZINC000655712384 837704610 /nfs/dbraw/zinc/70/46/10/837704610.db2.gz JTWXRIDHNZPFLY-OAQYLSRUSA-N 2 2 385.483 3.746 20 0 GHADLP COc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(OC2CCCC2)c1 ZINC000655719893 837715655 /nfs/dbraw/zinc/71/56/55/837715655.db2.gz WQFCDIXXPCWKMP-JOCHJYFZSA-N 2 2 388.552 3.750 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCS2 ZINC000655717209 837727874 /nfs/dbraw/zinc/72/78/74/837727874.db2.gz YAAHSCDQNHLAHN-NVXWUHKLSA-N 2 2 397.382 3.829 20 0 GHADLP CCCOc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(OC(F)F)c1 ZINC000655722771 837740170 /nfs/dbraw/zinc/74/01/70/837740170.db2.gz IGBREDUXRFMVTE-IBGZPJMESA-N 2 2 398.494 3.810 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000431809820 837744977 /nfs/dbraw/zinc/74/49/77/837744977.db2.gz GPIBPPSCTFGZMU-ACRUOGEOSA-N 2 2 391.506 3.623 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000431809820 837744981 /nfs/dbraw/zinc/74/49/81/837744981.db2.gz GPIBPPSCTFGZMU-ACRUOGEOSA-N 2 2 391.506 3.623 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000431809820 837744988 /nfs/dbraw/zinc/74/49/88/837744988.db2.gz GPIBPPSCTFGZMU-ACRUOGEOSA-N 2 2 391.506 3.623 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000431809820 837744992 /nfs/dbraw/zinc/74/49/92/837744992.db2.gz GPIBPPSCTFGZMU-ACRUOGEOSA-N 2 2 391.506 3.623 20 0 GHADLP [NH3+][C@H](C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000238020961 837771079 /nfs/dbraw/zinc/77/10/79/837771079.db2.gz SXHDDAFBSJQBGB-UNMCSNQZSA-N 2 2 391.540 3.664 20 0 GHADLP [NH3+][C@H](C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000238020961 837771088 /nfs/dbraw/zinc/77/10/88/837771088.db2.gz SXHDDAFBSJQBGB-UNMCSNQZSA-N 2 2 391.540 3.664 20 0 GHADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000278289752 834534500 /nfs/dbraw/zinc/53/45/00/834534500.db2.gz QUHITAWONYIPEW-ZACQAIPSSA-N 2 2 386.492 3.526 20 0 GHADLP CCc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)sc1-c1ccccc1 ZINC000654775487 834544040 /nfs/dbraw/zinc/54/40/40/834544040.db2.gz NBCOXPNYGCHNMA-IBGZPJMESA-N 2 2 397.588 3.876 20 0 GHADLP CCc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)sc1-c1ccccc1 ZINC000654775487 834544046 /nfs/dbraw/zinc/54/40/46/834544046.db2.gz NBCOXPNYGCHNMA-IBGZPJMESA-N 2 2 397.588 3.876 20 0 GHADLP Cc1cc([C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2cccnc2)ccc1F ZINC000579941848 837794294 /nfs/dbraw/zinc/79/42/94/837794294.db2.gz GQFHEBJGGUVLKQ-JOCHJYFZSA-N 2 2 377.467 3.535 20 0 GHADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OCc1cccnc1 ZINC000092073236 834665794 /nfs/dbraw/zinc/66/57/94/834665794.db2.gz INHKRPMNIIWHIU-LJQANCHMSA-N 2 2 378.476 3.772 20 0 GHADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OCc1cccnc1 ZINC000092073236 834665800 /nfs/dbraw/zinc/66/58/00/834665800.db2.gz INHKRPMNIIWHIU-LJQANCHMSA-N 2 2 378.476 3.772 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)COc2ccccc2Cl)c(C)c1 ZINC000583626279 834771287 /nfs/dbraw/zinc/77/12/87/834771287.db2.gz KZQZOJFTCYMQIR-WIYYLYMNSA-N 2 2 399.922 3.924 20 0 GHADLP Cc1ccc(COc2ccc(C[NH+]3CCC([N@@H+]4CC[C@@H](O)C4)CC3)cc2)cc1 ZINC000668741348 834950332 /nfs/dbraw/zinc/95/03/32/834950332.db2.gz QGZCMHJLXRPUJG-HSZRJFAPSA-N 2 2 380.532 3.605 20 0 GHADLP Cc1ccc(COc2ccc(C[NH+]3CCC([N@H+]4CC[C@@H](O)C4)CC3)cc2)cc1 ZINC000668741348 834950339 /nfs/dbraw/zinc/95/03/39/834950339.db2.gz QGZCMHJLXRPUJG-HSZRJFAPSA-N 2 2 380.532 3.605 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647320954 835537402 /nfs/dbraw/zinc/53/74/02/835537402.db2.gz NWLZCKDIRCJXSQ-MISYRCLQSA-N 2 2 383.561 3.825 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647320954 835537408 /nfs/dbraw/zinc/53/74/08/835537408.db2.gz NWLZCKDIRCJXSQ-MISYRCLQSA-N 2 2 383.561 3.825 20 0 GHADLP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000658296411 835561838 /nfs/dbraw/zinc/56/18/38/835561838.db2.gz ZRTJOQVTNALCOA-IRFCIJBXSA-N 2 2 376.516 3.703 20 0 GHADLP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000158919850 835652133 /nfs/dbraw/zinc/65/21/33/835652133.db2.gz XNIFLKPRRBSSAO-PGRDOPGGSA-N 2 2 380.536 3.820 20 0 GHADLP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000158919850 835652139 /nfs/dbraw/zinc/65/21/39/835652139.db2.gz XNIFLKPRRBSSAO-PGRDOPGGSA-N 2 2 380.536 3.820 20 0 GHADLP CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000278748669 835950135 /nfs/dbraw/zinc/95/01/35/835950135.db2.gz WWJXQVOJSXMRBN-QGZVFWFLSA-N 2 2 381.524 3.692 20 0 GHADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000278748669 835950139 /nfs/dbraw/zinc/95/01/39/835950139.db2.gz WWJXQVOJSXMRBN-QGZVFWFLSA-N 2 2 381.524 3.692 20 0 GHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000180159400 836100224 /nfs/dbraw/zinc/10/02/24/836100224.db2.gz OLDVITRFENTDKX-UHFFFAOYSA-N 2 2 392.849 3.660 20 0 GHADLP C[C@H](C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000180463670 836175288 /nfs/dbraw/zinc/17/52/88/836175288.db2.gz LTUHVWZKFPGHNP-IIBYNOLFSA-N 2 2 375.919 3.794 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3csc(C4CCCCC4)n3)C2)CC1 ZINC000375907333 836183269 /nfs/dbraw/zinc/18/32/69/836183269.db2.gz ROMXKSBXMMCTOV-HXUWFJFHSA-N 2 2 376.614 3.791 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc(C4CCCCC4)n3)C2)CC1 ZINC000375907333 836183278 /nfs/dbraw/zinc/18/32/78/836183278.db2.gz ROMXKSBXMMCTOV-HXUWFJFHSA-N 2 2 376.614 3.791 20 0 GHADLP C[C@H](NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccs1 ZINC000548932076 836272574 /nfs/dbraw/zinc/27/25/74/836272574.db2.gz PIHVOPIEDQRQCL-PXNSSMCTSA-N 2 2 385.577 3.816 20 0 GHADLP C[C@H](NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccs1 ZINC000548932076 836272584 /nfs/dbraw/zinc/27/25/84/836272584.db2.gz PIHVOPIEDQRQCL-PXNSSMCTSA-N 2 2 385.577 3.816 20 0 GHADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(Oc4ccccc4)o3)cn2)CC1 ZINC000180788765 836275375 /nfs/dbraw/zinc/27/53/75/836275375.db2.gz WCMJOSAPTLEZLQ-UHFFFAOYSA-N 2 2 378.476 3.509 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1nnnn1-c1ccccc1 ZINC000173923411 836337244 /nfs/dbraw/zinc/33/72/44/836337244.db2.gz JUDGPWKSECASAC-MOPGFXCFSA-N 2 2 390.535 3.745 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1nnnn1-c1ccccc1 ZINC000173923411 836337251 /nfs/dbraw/zinc/33/72/51/836337251.db2.gz JUDGPWKSECASAC-MOPGFXCFSA-N 2 2 390.535 3.745 20 0 GHADLP O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000613453275 836421887 /nfs/dbraw/zinc/42/18/87/836421887.db2.gz TXONFXBPQYZCNF-INIZCTEOSA-N 2 2 387.351 3.683 20 0 GHADLP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000613453186 836422937 /nfs/dbraw/zinc/42/29/37/836422937.db2.gz JCGIQICJLIPITJ-QFIPXVFZSA-N 2 2 388.596 3.983 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cnc2ccsc2c1 ZINC000155176895 836521162 /nfs/dbraw/zinc/52/11/62/836521162.db2.gz JMOBTTLVVCUTIA-KRWDZBQOSA-N 2 2 397.544 3.858 20 0 GHADLP O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000170643407 836526599 /nfs/dbraw/zinc/52/65/99/836526599.db2.gz AMUNEXHQBRCHAP-UHFFFAOYSA-N 2 2 393.466 3.798 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000276964859 844176675 /nfs/dbraw/zinc/17/66/75/844176675.db2.gz FDDGZSIQFRRSMP-UHFFFAOYSA-N 2 2 397.567 3.663 20 0 GHADLP CC1CCN([C@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)c2cccs2)CC1 ZINC000510251501 837017975 /nfs/dbraw/zinc/01/79/75/837017975.db2.gz CIUDUTYMGRVHTI-QGZVFWFLSA-N 2 2 378.611 3.829 20 0 GHADLP O=C1[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCN1c1ccc(Cl)cc1 ZINC000237700948 837308857 /nfs/dbraw/zinc/30/88/57/837308857.db2.gz VINOCHRAWPFIQH-JOCHJYFZSA-N 2 2 397.950 3.742 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000431759089 837356841 /nfs/dbraw/zinc/35/68/41/837356841.db2.gz HSSAASCWHVYTHO-UHFFFAOYSA-N 2 2 390.531 3.632 20 0 GHADLP CC(C)[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000533706980 838154568 /nfs/dbraw/zinc/15/45/68/838154568.db2.gz FYTZYIPLPJWIJR-OAQYLSRUSA-N 2 2 389.559 3.632 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)C1 ZINC000683707153 838364116 /nfs/dbraw/zinc/36/41/16/838364116.db2.gz WVPQTRGOIZSGRW-SFHLNBCPSA-N 2 2 392.632 3.649 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)C1 ZINC000683707153 838364121 /nfs/dbraw/zinc/36/41/21/838364121.db2.gz WVPQTRGOIZSGRW-SFHLNBCPSA-N 2 2 392.632 3.649 20 0 GHADLP C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000535722831 844347367 /nfs/dbraw/zinc/34/73/67/844347367.db2.gz CUIJFBHNKPLRMH-UHFFFAOYSA-N 4 2 390.660 3.667 20 0 GHADLP Cc1cccn2cc(CCNC(=O)NC3CCC([NH+]4CCC(C)CC4)CC3)[nH+]c12 ZINC000129544155 839135924 /nfs/dbraw/zinc/13/59/24/839135924.db2.gz FOVVAUGQLOQUMH-UHFFFAOYSA-N 2 2 397.567 3.528 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000549203277 839293191 /nfs/dbraw/zinc/29/31/91/839293191.db2.gz NXFLKXJUEODZJA-NRFANRHFSA-N 2 2 395.551 3.599 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000549203277 839293203 /nfs/dbraw/zinc/29/32/03/839293203.db2.gz NXFLKXJUEODZJA-NRFANRHFSA-N 2 2 395.551 3.599 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000549203277 839293214 /nfs/dbraw/zinc/29/32/14/839293214.db2.gz NXFLKXJUEODZJA-NRFANRHFSA-N 2 2 395.551 3.599 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000549203277 839293227 /nfs/dbraw/zinc/29/32/27/839293227.db2.gz NXFLKXJUEODZJA-NRFANRHFSA-N 2 2 395.551 3.599 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cscc3Br)CC2)CC1 ZINC000377614609 839822857 /nfs/dbraw/zinc/82/28/57/839822857.db2.gz JFBPAGJMXORGDM-UHFFFAOYSA-N 2 2 386.403 3.501 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431847584 839878882 /nfs/dbraw/zinc/87/88/82/839878882.db2.gz LTJLFWQXTOFLDP-JOCHJYFZSA-N 2 2 394.563 3.840 20 0 GHADLP Cc1cc(-c2nnc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)o2)c(C)o1 ZINC000684005850 839935165 /nfs/dbraw/zinc/93/51/65/839935165.db2.gz WOLPNTQJCWDDSL-UHFFFAOYSA-N 2 2 381.480 3.859 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(C)s1 ZINC000580640916 839947416 /nfs/dbraw/zinc/94/74/16/839947416.db2.gz GWWZGKBPKCHEFG-QUCCMNQESA-N 2 2 384.545 3.797 20 0 GHADLP COC(=O)c1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(C)s1 ZINC000580640916 839947420 /nfs/dbraw/zinc/94/74/20/839947420.db2.gz GWWZGKBPKCHEFG-QUCCMNQESA-N 2 2 384.545 3.797 20 0 GHADLP COC(=O)c1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)s1 ZINC000580640916 839947425 /nfs/dbraw/zinc/94/74/25/839947425.db2.gz GWWZGKBPKCHEFG-QUCCMNQESA-N 2 2 384.545 3.797 20 0 GHADLP COC(=O)c1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)s1 ZINC000580640916 839947427 /nfs/dbraw/zinc/94/74/27/839947427.db2.gz GWWZGKBPKCHEFG-QUCCMNQESA-N 2 2 384.545 3.797 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1cc(F)cc2cccnc21)[C@H]1CC12CC[NH2+]CC2 ZINC000580648317 839954963 /nfs/dbraw/zinc/95/49/63/839954963.db2.gz GFQADLFLJAAFPV-FQEVSTJZSA-N 2 2 393.510 3.735 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1cc(F)cc2cccnc21)[C@H]1CC12CC[NH2+]CC2 ZINC000580648317 839954968 /nfs/dbraw/zinc/95/49/68/839954968.db2.gz GFQADLFLJAAFPV-FQEVSTJZSA-N 2 2 393.510 3.735 20 0 GHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCOCC3)c2)C[C@@H]1c1ccccc1 ZINC000580662171 839972020 /nfs/dbraw/zinc/97/20/20/839972020.db2.gz FWOAPKZKXXXDIT-IFMALSPDSA-N 2 2 381.520 3.565 20 0 GHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCOCC3)c2)C[C@@H]1c1ccccc1 ZINC000580662171 839972031 /nfs/dbraw/zinc/97/20/31/839972031.db2.gz FWOAPKZKXXXDIT-IFMALSPDSA-N 2 2 381.520 3.565 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCOCC3)c2)C[C@H]1c1ccccc1 ZINC000580662183 839972528 /nfs/dbraw/zinc/97/25/28/839972528.db2.gz FWOAPKZKXXXDIT-UNMCSNQZSA-N 2 2 381.520 3.565 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCOCC3)c2)C[C@H]1c1ccccc1 ZINC000580662183 839972540 /nfs/dbraw/zinc/97/25/40/839972540.db2.gz FWOAPKZKXXXDIT-UNMCSNQZSA-N 2 2 381.520 3.565 20 0 GHADLP COc1ccc(Br)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535809077 844512390 /nfs/dbraw/zinc/51/23/90/844512390.db2.gz FGZSBGBAZDSORY-AUUYWEPGSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535809077 844512398 /nfs/dbraw/zinc/51/23/98/844512398.db2.gz FGZSBGBAZDSORY-AUUYWEPGSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000535809077 844512403 /nfs/dbraw/zinc/51/24/03/844512403.db2.gz FGZSBGBAZDSORY-AUUYWEPGSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000535809077 844512409 /nfs/dbraw/zinc/51/24/09/844512409.db2.gz FGZSBGBAZDSORY-AUUYWEPGSA-N 2 2 379.342 3.906 20 0 GHADLP FC(F)(F)c1cccc(N2CC[NH+](CCC[NH2+]C3CCSCC3)CC2)c1 ZINC000119321988 840271615 /nfs/dbraw/zinc/27/16/15/840271615.db2.gz LCXZPTKKXNUZFU-UHFFFAOYSA-N 2 2 387.515 3.703 20 0 GHADLP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCCCC1 ZINC000510357202 840280192 /nfs/dbraw/zinc/28/01/92/840280192.db2.gz XFPJCJYIQAKBPH-SFHVURJKSA-N 2 2 377.960 3.639 20 0 GHADLP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCCCC1 ZINC000510357202 840280201 /nfs/dbraw/zinc/28/02/01/840280201.db2.gz XFPJCJYIQAKBPH-SFHVURJKSA-N 2 2 377.960 3.639 20 0 GHADLP CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000660481565 840624699 /nfs/dbraw/zinc/62/46/99/840624699.db2.gz QYFDTQPLRXRWAM-RTBURBONSA-N 2 2 386.584 3.684 20 0 GHADLP CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000660481565 840624705 /nfs/dbraw/zinc/62/47/05/840624705.db2.gz QYFDTQPLRXRWAM-RTBURBONSA-N 2 2 386.584 3.684 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(F)c(C(F)(F)F)cc3F)C2)CC1 ZINC000584772091 840825525 /nfs/dbraw/zinc/82/55/25/840825525.db2.gz TZKQFKKCCXZMLR-HNNXBMFYSA-N 2 2 391.428 3.584 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(F)c(C(F)(F)F)cc3F)C2)CC1 ZINC000584772091 840825535 /nfs/dbraw/zinc/82/55/35/840825535.db2.gz TZKQFKKCCXZMLR-HNNXBMFYSA-N 2 2 391.428 3.584 20 0 GHADLP CC[NH2+]Cc1ccccc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000581239039 840919476 /nfs/dbraw/zinc/91/94/76/840919476.db2.gz DKCDZYGOZAMWPW-UHFFFAOYSA-N 2 2 381.524 3.740 20 0 GHADLP C[NH+](Cc1cccc(O)c1)Cc1cncc(C[N@H+](C)Cc2cccc(O)c2)c1 ZINC000584820897 840981645 /nfs/dbraw/zinc/98/16/45/840981645.db2.gz RDCNFLWWPUATSK-UHFFFAOYSA-N 2 2 377.488 3.757 20 0 GHADLP C[NH+](Cc1cccc(O)c1)Cc1cncc(C[N@@H+](C)Cc2cccc(O)c2)c1 ZINC000584820897 840981654 /nfs/dbraw/zinc/98/16/54/840981654.db2.gz RDCNFLWWPUATSK-UHFFFAOYSA-N 2 2 377.488 3.757 20 0 GHADLP Cc1cc(C)c(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c[nH+]1 ZINC000661291425 841610727 /nfs/dbraw/zinc/61/07/27/841610727.db2.gz GWYWUQCWTGTUFA-QFIPXVFZSA-N 2 2 392.547 3.800 20 0 GHADLP Cc1cc(C)c(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c[nH+]1 ZINC000661291425 841610734 /nfs/dbraw/zinc/61/07/34/841610734.db2.gz GWYWUQCWTGTUFA-QFIPXVFZSA-N 2 2 392.547 3.800 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C[N@@H+]1C1CC1 ZINC000500243001 841723989 /nfs/dbraw/zinc/72/39/89/841723989.db2.gz JPDBTWIHXLUHTL-YPMHNXCESA-N 2 2 377.838 3.738 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C[N@H+]1C1CC1 ZINC000500243001 841723996 /nfs/dbraw/zinc/72/39/96/841723996.db2.gz JPDBTWIHXLUHTL-YPMHNXCESA-N 2 2 377.838 3.738 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1nc(-c2ccccc2)cs1 ZINC000177827775 861273654 /nfs/dbraw/zinc/27/36/54/861273654.db2.gz HDMRIEMYHRYZDJ-KRWDZBQOSA-N 2 2 393.560 3.808 20 0 GHADLP COc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000581738565 842127609 /nfs/dbraw/zinc/12/76/09/842127609.db2.gz SIZGLQCYEUETRU-OAQYLSRUSA-N 2 2 381.520 3.524 20 0 GHADLP COc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000581738565 842127612 /nfs/dbraw/zinc/12/76/12/842127612.db2.gz SIZGLQCYEUETRU-OAQYLSRUSA-N 2 2 381.520 3.524 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000432350594 842134229 /nfs/dbraw/zinc/13/42/29/842134229.db2.gz ZGOAPDLHTKCADG-IHFIDZABSA-N 2 2 391.559 3.995 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000432350594 842134235 /nfs/dbraw/zinc/13/42/35/842134235.db2.gz ZGOAPDLHTKCADG-IHFIDZABSA-N 2 2 391.559 3.995 20 0 GHADLP Cc1cccn2cc(CC(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)[nH+]c12 ZINC000604713850 842136387 /nfs/dbraw/zinc/13/63/87/842136387.db2.gz QKTFXKDAZQSSQA-SFHVURJKSA-N 2 2 376.504 3.527 20 0 GHADLP C[C@@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278950553 842365074 /nfs/dbraw/zinc/36/50/74/842365074.db2.gz VPQHSTATPOGFJI-HNNXBMFYSA-N 2 2 377.492 3.547 20 0 GHADLP COc1ccccc1[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)N1CCCCC1 ZINC000512085352 842448035 /nfs/dbraw/zinc/44/80/35/842448035.db2.gz VBBOOLIATMXYCL-LJQANCHMSA-N 2 2 388.581 3.530 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ncc(Br)cn1 ZINC000581899040 842536620 /nfs/dbraw/zinc/53/66/20/842536620.db2.gz XMHAUMWVSMGUGJ-UONOGXRCSA-N 2 2 393.329 3.591 20 0 GHADLP CC(C)[C@@H](CCc1ccccc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000581932213 842748712 /nfs/dbraw/zinc/74/87/12/842748712.db2.gz PXSLALCNFRYZMK-HSZRJFAPSA-N 2 2 385.596 3.566 20 0 GHADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000673673648 861364414 /nfs/dbraw/zinc/36/44/14/861364414.db2.gz YIUIEQLXRFAXHD-HSZRJFAPSA-N 2 2 379.548 3.679 20 0 GHADLP C[NH2+][C@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1cccc(Cl)c1Cl ZINC000662463235 843295354 /nfs/dbraw/zinc/29/53/54/843295354.db2.gz WLQNEGDTZIZAJR-SFHVURJKSA-N 2 2 398.309 3.771 20 0 GHADLP c1cn(Cc2ccccc2)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000278888591 843546196 /nfs/dbraw/zinc/54/61/96/843546196.db2.gz NZLGIDCGDGOEFV-UHFFFAOYSA-N 2 2 375.520 3.844 20 0 GHADLP CN(C(=O)c1ccc(C(F)F)o1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000626262040 843555921 /nfs/dbraw/zinc/55/59/21/843555921.db2.gz SUEGFCBGKPQYEP-HZPDHXFCSA-N 2 2 383.483 3.626 20 0 GHADLP CN(C(=O)c1ccc(C(F)F)o1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000626262040 843555925 /nfs/dbraw/zinc/55/59/25/843555925.db2.gz SUEGFCBGKPQYEP-HZPDHXFCSA-N 2 2 383.483 3.626 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000549613484 843597150 /nfs/dbraw/zinc/59/71/50/843597150.db2.gz IFUWNBFXRPTLAT-DYESRHJHSA-N 2 2 397.494 3.734 20 0 GHADLP Fc1ccccc1SCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512408882 843719310 /nfs/dbraw/zinc/71/93/10/843719310.db2.gz KOHPUWCQSCKJBG-OAQYLSRUSA-N 2 2 399.579 3.810 20 0 GHADLP Fc1ccccc1SCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512408882 843719318 /nfs/dbraw/zinc/71/93/18/843719318.db2.gz KOHPUWCQSCKJBG-OAQYLSRUSA-N 2 2 399.579 3.810 20 0 GHADLP COCC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000237122375 843910885 /nfs/dbraw/zinc/91/08/85/843910885.db2.gz JCXAHYGAMGXFLB-UHFFFAOYSA-N 2 2 389.927 3.514 20 0 GHADLP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000237689315 843967811 /nfs/dbraw/zinc/96/78/11/843967811.db2.gz KXJHFEVVSJNOEJ-CQSZACIVSA-N 2 2 381.320 3.935 20 0 GHADLP Cc1cc[nH+]c(N)c1CNc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC000894115175 845240284 /nfs/dbraw/zinc/24/02/84/845240284.db2.gz KRTRYKIPTVNXED-OAHLLOKOSA-N 2 2 385.487 3.536 20 0 GHADLP Cc1cc[nH+]c(N)c1CNc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC000894115175 845240296 /nfs/dbraw/zinc/24/02/96/845240296.db2.gz KRTRYKIPTVNXED-OAHLLOKOSA-N 2 2 385.487 3.536 20 0 GHADLP C[N@H+](Cc1cccc(OCCCc2ccccc2)c1)C1CC[NH+](CCO)CC1 ZINC000513524107 845570419 /nfs/dbraw/zinc/57/04/19/845570419.db2.gz GAZRGBUZALSHPV-UHFFFAOYSA-N 2 2 382.548 3.587 20 0 GHADLP C[N@@H+](Cc1cccc(OCCCc2ccccc2)c1)C1CC[NH+](CCO)CC1 ZINC000513524107 845570431 /nfs/dbraw/zinc/57/04/31/845570431.db2.gz GAZRGBUZALSHPV-UHFFFAOYSA-N 2 2 382.548 3.587 20 0 GHADLP C[NH+](C)[C@@H]1CCC[NH+](Cc2ccccc2C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000277315898 845696523 /nfs/dbraw/zinc/69/65/23/845696523.db2.gz UWRLWLAXTXTIBZ-DNQXCXABSA-N 4 2 386.628 3.519 20 0 GHADLP C[NH+](C)[C@@H]1CCC[NH+](Cc2ccccc2C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000277315898 845696531 /nfs/dbraw/zinc/69/65/31/845696531.db2.gz UWRLWLAXTXTIBZ-DNQXCXABSA-N 4 2 386.628 3.519 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@H](C(=O)OC(C)(C)C)CC[C@H]3C)sc2C1 ZINC000421358358 846170881 /nfs/dbraw/zinc/17/08/81/846170881.db2.gz BTWWOELPODLZBP-HZPDHXFCSA-N 2 2 393.597 3.852 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@H](C(=O)OC(C)(C)C)CC[C@H]3C)sc2C1 ZINC000421358358 846170886 /nfs/dbraw/zinc/17/08/86/846170886.db2.gz BTWWOELPODLZBP-HZPDHXFCSA-N 2 2 393.597 3.852 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@H](C(=O)OC(C)(C)C)CC[C@H]3C)sc2C1 ZINC000421358358 846170892 /nfs/dbraw/zinc/17/08/92/846170892.db2.gz BTWWOELPODLZBP-HZPDHXFCSA-N 2 2 393.597 3.852 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@H](C(=O)OC(C)(C)C)CC[C@H]3C)sc2C1 ZINC000421358358 846170900 /nfs/dbraw/zinc/17/09/00/846170900.db2.gz BTWWOELPODLZBP-HZPDHXFCSA-N 2 2 393.597 3.852 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]3C)sc2C1 ZINC000421358357 846171294 /nfs/dbraw/zinc/17/12/94/846171294.db2.gz BTWWOELPODLZBP-HOTGVXAUSA-N 2 2 393.597 3.852 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]3C)sc2C1 ZINC000421358357 846171297 /nfs/dbraw/zinc/17/12/97/846171297.db2.gz BTWWOELPODLZBP-HOTGVXAUSA-N 2 2 393.597 3.852 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]3C)sc2C1 ZINC000421358357 846171300 /nfs/dbraw/zinc/17/13/00/846171300.db2.gz BTWWOELPODLZBP-HOTGVXAUSA-N 2 2 393.597 3.852 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]3C)sc2C1 ZINC000421358357 846171304 /nfs/dbraw/zinc/17/13/04/846171304.db2.gz BTWWOELPODLZBP-HOTGVXAUSA-N 2 2 393.597 3.852 20 0 GHADLP OC1(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(Br)c2)CCCCC1 ZINC000472148924 846208195 /nfs/dbraw/zinc/20/81/95/846208195.db2.gz AYKNNLFKDUYLAF-UHFFFAOYSA-N 2 2 392.341 3.843 20 0 GHADLP OC1(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(Br)c2)CCCCC1 ZINC000472148924 846208203 /nfs/dbraw/zinc/20/82/03/846208203.db2.gz AYKNNLFKDUYLAF-UHFFFAOYSA-N 2 2 392.341 3.843 20 0 GHADLP CC(C)[C@H](C[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2)[N@@H+]1CCc2ccccc2C1 ZINC000513668051 846215476 /nfs/dbraw/zinc/21/54/76/846215476.db2.gz VGTRQOZBLRZEJU-VGSWGCGISA-N 2 2 393.531 3.751 20 0 GHADLP CC(C)[C@H](C[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2)[N@H+]1CCc2ccccc2C1 ZINC000513668051 846215480 /nfs/dbraw/zinc/21/54/80/846215480.db2.gz VGTRQOZBLRZEJU-VGSWGCGISA-N 2 2 393.531 3.751 20 0 GHADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000414522688 846285441 /nfs/dbraw/zinc/28/54/41/846285441.db2.gz DFTUUZCUWUJRCE-NVXWUHKLSA-N 2 2 399.482 3.789 20 0 GHADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000414522688 846285453 /nfs/dbraw/zinc/28/54/53/846285453.db2.gz DFTUUZCUWUJRCE-NVXWUHKLSA-N 2 2 399.482 3.789 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)NCCCNc2cccc[nH+]2)CCCC1)c1ccccc1 ZINC000502928420 846622930 /nfs/dbraw/zinc/62/29/30/846622930.db2.gz HSZOSWKMUAHFEE-IBGZPJMESA-N 2 2 395.551 3.846 20 0 GHADLP CN(C(=O)[C@H]1CCCCC1(C)C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000582220856 846656685 /nfs/dbraw/zinc/65/66/85/846656685.db2.gz FWJNKOCJZVRNMC-NJDAHSKKSA-N 2 2 377.617 3.998 20 0 GHADLP CN(C(=O)[C@H]1CCCCC1(C)C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000582220856 846656687 /nfs/dbraw/zinc/65/66/87/846656687.db2.gz FWJNKOCJZVRNMC-NJDAHSKKSA-N 2 2 377.617 3.998 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc(Cl)c3Cl)CC2)CC1 ZINC000422005676 846744365 /nfs/dbraw/zinc/74/43/65/846744365.db2.gz JLXBGDKEWVJQNO-UHFFFAOYSA-N 2 2 384.351 3.626 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc(Cl)c3Cl)CC2)CC1 ZINC000422005676 846744372 /nfs/dbraw/zinc/74/43/72/846744372.db2.gz JLXBGDKEWVJQNO-UHFFFAOYSA-N 2 2 384.351 3.626 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc(-c4ccoc4)c3)CC2)CC1 ZINC000422008622 846748266 /nfs/dbraw/zinc/74/82/66/846748266.db2.gz AFSMQDHQEUDNIL-UHFFFAOYSA-N 2 2 381.520 3.579 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc(-c4ccoc4)c3)CC2)CC1 ZINC000422008622 846748268 /nfs/dbraw/zinc/74/82/68/846748268.db2.gz AFSMQDHQEUDNIL-UHFFFAOYSA-N 2 2 381.520 3.579 20 0 GHADLP CCc1ccc2occ(C(=O)N3CCC[N@@H+](C4CC[NH+](CC)CC4)CC3)c2c1 ZINC000422010865 846750423 /nfs/dbraw/zinc/75/04/23/846750423.db2.gz CENFSKHTXSATPL-UHFFFAOYSA-N 2 2 383.536 3.627 20 0 GHADLP CCc1ccc2occ(C(=O)N3CCC[N@H+](C4CC[NH+](CC)CC4)CC3)c2c1 ZINC000422010865 846750430 /nfs/dbraw/zinc/75/04/30/846750430.db2.gz CENFSKHTXSATPL-UHFFFAOYSA-N 2 2 383.536 3.627 20 0 GHADLP CCC[C@H](NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)C1CCCCC1 ZINC000422153269 846859154 /nfs/dbraw/zinc/85/91/54/846859154.db2.gz JBHBOGTXGDGLTG-QFIPXVFZSA-N 2 2 392.632 3.937 20 0 GHADLP CCC[C@H](NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)C1CCCCC1 ZINC000422153269 846859161 /nfs/dbraw/zinc/85/91/61/846859161.db2.gz JBHBOGTXGDGLTG-QFIPXVFZSA-N 2 2 392.632 3.937 20 0 GHADLP CCCCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000272336749 847052331 /nfs/dbraw/zinc/05/23/31/847052331.db2.gz OOSWYJLVKZGMJL-UHFFFAOYSA-N 2 2 383.540 3.819 20 0 GHADLP COC[C@H](C)Oc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000657412133 847071415 /nfs/dbraw/zinc/07/14/15/847071415.db2.gz BTHLTOHVBDFXST-RBUKOAKNSA-N 2 2 383.536 3.811 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1)C1CC1 ZINC000511113111 847087623 /nfs/dbraw/zinc/08/76/23/847087623.db2.gz AMQMANKEPKHCQJ-UHFFFAOYSA-N 2 2 383.561 3.690 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1)C1CC1 ZINC000511113111 847087636 /nfs/dbraw/zinc/08/76/36/847087636.db2.gz AMQMANKEPKHCQJ-UHFFFAOYSA-N 2 2 383.561 3.690 20 0 GHADLP CN(C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001268967015 847097204 /nfs/dbraw/zinc/09/72/04/847097204.db2.gz GGUXTCVBMCETRQ-MGFHSNFOSA-N 2 2 375.601 3.608 20 0 GHADLP CN(C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001268967015 847097208 /nfs/dbraw/zinc/09/72/08/847097208.db2.gz GGUXTCVBMCETRQ-MGFHSNFOSA-N 2 2 375.601 3.608 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420394053 847158112 /nfs/dbraw/zinc/15/81/12/847158112.db2.gz CLHVYCWYFHQMPV-UTUOFQBUSA-N 2 2 377.838 3.603 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420394053 847158116 /nfs/dbraw/zinc/15/81/16/847158116.db2.gz CLHVYCWYFHQMPV-UTUOFQBUSA-N 2 2 377.838 3.603 20 0 GHADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(OC(F)F)c(OC(F)F)c1)C2 ZINC001279115892 847458286 /nfs/dbraw/zinc/45/82/86/847458286.db2.gz GVHOTXIHTQZASO-GOSISDBHSA-N 2 2 376.394 3.807 20 0 GHADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(OC(F)F)c(OC(F)F)c1)C2 ZINC001279115892 847458290 /nfs/dbraw/zinc/45/82/90/847458290.db2.gz GVHOTXIHTQZASO-GOSISDBHSA-N 2 2 376.394 3.807 20 0 GHADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(OC(F)F)c(OC(F)F)c1)C2 ZINC001279115892 847458298 /nfs/dbraw/zinc/45/82/98/847458298.db2.gz GVHOTXIHTQZASO-GOSISDBHSA-N 2 2 376.394 3.807 20 0 GHADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(OC(F)F)c(OC(F)F)c1)C2 ZINC001279115892 847458301 /nfs/dbraw/zinc/45/83/01/847458301.db2.gz GVHOTXIHTQZASO-GOSISDBHSA-N 2 2 376.394 3.807 20 0 GHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)C2)CC1 ZINC000657453007 847526442 /nfs/dbraw/zinc/52/64/42/847526442.db2.gz NIBNTLSMWIGCOD-QLOJAFMTSA-N 2 2 398.469 3.749 20 0 GHADLP Clc1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000420913386 847531515 /nfs/dbraw/zinc/53/15/15/847531515.db2.gz AZHWDUTWYAHIRT-FCHUYYIVSA-N 2 2 386.923 3.792 20 0 GHADLP CCCn1nccc1C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420956994 847577847 /nfs/dbraw/zinc/57/78/47/847577847.db2.gz BZYIUDUAGRIWNZ-UHFFFAOYSA-N 2 2 382.552 3.505 20 0 GHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503389316 847647955 /nfs/dbraw/zinc/64/79/55/847647955.db2.gz GLECZSSJACJRDD-MJGOQNOKSA-N 2 2 398.526 3.758 20 0 GHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503389316 847647960 /nfs/dbraw/zinc/64/79/60/847647960.db2.gz GLECZSSJACJRDD-MJGOQNOKSA-N 2 2 398.526 3.758 20 0 GHADLP COc1cc(C)c(C[C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1OC ZINC000502253199 847657223 /nfs/dbraw/zinc/65/72/23/847657223.db2.gz UTQTVBDDCMOSRY-SFHVURJKSA-N 2 2 379.504 3.978 20 0 GHADLP CC1CCC(N(C(=O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C2CC2)CC1 ZINC000503435908 847694596 /nfs/dbraw/zinc/69/45/96/847694596.db2.gz JDQBGAUGXPPGMI-GPJFCIFZSA-N 2 2 398.595 3.969 20 0 GHADLP CC1CCC(N(C(=O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C2CC2)CC1 ZINC000503435908 847694601 /nfs/dbraw/zinc/69/46/01/847694601.db2.gz JDQBGAUGXPPGMI-GPJFCIFZSA-N 2 2 398.595 3.969 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc(C4CCC4)c3)CC2)CC1 ZINC000421116638 847736180 /nfs/dbraw/zinc/73/61/80/847736180.db2.gz RUEMQGMODCYSOP-UHFFFAOYSA-N 2 2 384.568 3.978 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc(C4CCC4)c3)CC2)CC1 ZINC000421116638 847736183 /nfs/dbraw/zinc/73/61/83/847736183.db2.gz RUEMQGMODCYSOP-UHFFFAOYSA-N 2 2 384.568 3.978 20 0 GHADLP O=C([C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1)N1CCCCC1 ZINC000481609977 861831705 /nfs/dbraw/zinc/83/17/05/861831705.db2.gz IDOYTWGCYGLZMH-ISKFKSNPSA-N 2 2 391.559 3.852 20 0 GHADLP O=C([C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1)N1CCCCC1 ZINC000481609977 861831720 /nfs/dbraw/zinc/83/17/20/861831720.db2.gz IDOYTWGCYGLZMH-ISKFKSNPSA-N 2 2 391.559 3.852 20 0 GHADLP COc1cc([C@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)ccc1OCc1ccccc1 ZINC000422723296 847797650 /nfs/dbraw/zinc/79/76/50/847797650.db2.gz QUTBNQJPTFXRJR-LVCYWYKZSA-N 2 2 384.520 3.692 20 0 GHADLP COc1ccc([C@H]([NH2+]CCCn2c(C)nc3ccccc32)[C@@H]2CCC[NH2+]2)cc1 ZINC000422761706 847802087 /nfs/dbraw/zinc/80/20/87/847802087.db2.gz RMEMNHWKBIRPSK-GMAHTHKFSA-N 2 2 378.520 3.826 20 0 GHADLP COc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])N2CCCCC2)cc1 ZINC000422769879 847816005 /nfs/dbraw/zinc/81/60/05/847816005.db2.gz VLFMBGPIINFESF-FOVJLYNBSA-N 2 2 381.564 3.770 20 0 GHADLP COc1ccc([C@@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422824052 847841282 /nfs/dbraw/zinc/84/12/82/847841282.db2.gz MSUJIUVGHHTIBQ-XZOQPEGZSA-N 2 2 376.504 3.506 20 0 GHADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000422884635 847869989 /nfs/dbraw/zinc/86/99/89/847869989.db2.gz SHMFQHMHEDBEQM-GCJKJVERSA-N 2 2 381.520 3.572 20 0 GHADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000422968804 847921500 /nfs/dbraw/zinc/92/15/00/847921500.db2.gz XTWXRLNYAMVPHS-GBXCKJPGSA-N 3 2 393.575 3.806 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000192320165 861941386 /nfs/dbraw/zinc/94/13/86/861941386.db2.gz ZTUWFYQHSVRPSY-NRFANRHFSA-N 2 2 397.567 3.532 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000192320165 861941396 /nfs/dbraw/zinc/94/13/96/861941396.db2.gz ZTUWFYQHSVRPSY-NRFANRHFSA-N 2 2 397.567 3.532 20 0 GHADLP CCN1CC[C@]2(CCC[N@@H+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)C1=O ZINC001168045666 861946355 /nfs/dbraw/zinc/94/63/55/861946355.db2.gz LFJMYBQHUMEVEF-SKPFHBQLSA-N 2 2 383.580 3.762 20 0 GHADLP CCN1CC[C@]2(CCC[N@H+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)C1=O ZINC001168045666 861946363 /nfs/dbraw/zinc/94/63/63/861946363.db2.gz LFJMYBQHUMEVEF-SKPFHBQLSA-N 2 2 383.580 3.762 20 0 GHADLP CC(C)C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccncc1 ZINC000647286056 849588678 /nfs/dbraw/zinc/58/86/78/849588678.db2.gz FGYISHRJNZRCPN-QFIPXVFZSA-N 2 2 383.536 3.670 20 0 GHADLP CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000162897407 849647324 /nfs/dbraw/zinc/64/73/24/849647324.db2.gz LLVBVVAWYSGGCN-UZINWLIJSA-N 2 2 380.573 3.502 20 0 GHADLP Cc1nc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)sc1Br ZINC000423162555 849778453 /nfs/dbraw/zinc/77/84/53/849778453.db2.gz UBJDSPRICAMKGW-GUYCJALGSA-N 2 2 394.338 3.560 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(F)cc1Br ZINC000423234453 849820132 /nfs/dbraw/zinc/82/01/32/849820132.db2.gz PJXRWQRXBGKGKE-GFCCVEGCSA-N 2 2 379.277 3.566 20 0 GHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423371333 849876428 /nfs/dbraw/zinc/87/64/28/849876428.db2.gz VCSAILQJGSJYEC-UEKVPHQBSA-N 2 2 377.838 3.664 20 0 GHADLP Cc1ccc([C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000423405178 849910928 /nfs/dbraw/zinc/91/09/28/849910928.db2.gz ZQANQPDBSGGQPI-LQBOVUBWSA-N 2 2 386.561 3.526 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434994523 849982037 /nfs/dbraw/zinc/98/20/37/849982037.db2.gz BUCOVHOFGQDAMO-DLBZAZTESA-N 2 2 380.536 3.734 20 0 GHADLP CCC[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000668686943 850117712 /nfs/dbraw/zinc/11/77/12/850117712.db2.gz BIAVPJKFNUNGMT-HXUWFJFHSA-N 2 2 379.976 3.708 20 0 GHADLP CCC[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000668686943 850117723 /nfs/dbraw/zinc/11/77/23/850117723.db2.gz BIAVPJKFNUNGMT-HXUWFJFHSA-N 2 2 379.976 3.708 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH+](C3CCC3)C3CCC3)n2)CC1 ZINC000429163754 862113775 /nfs/dbraw/zinc/11/37/75/862113775.db2.gz VUKQWUFHKLVBSV-UHFFFAOYSA-N 2 2 376.570 3.721 20 0 GHADLP CCC[N@H+](Cc1nc(-c2cccc(Br)c2)c[nH]1)C1CC[NH2+]CC1 ZINC000435369643 850436330 /nfs/dbraw/zinc/43/63/30/850436330.db2.gz GAGVBQRHKNVOCE-UHFFFAOYSA-N 2 2 377.330 3.803 20 0 GHADLP CCC[N@@H+](Cc1nc(-c2cccc(Br)c2)c[nH]1)C1CC[NH2+]CC1 ZINC000435369643 850436336 /nfs/dbraw/zinc/43/63/36/850436336.db2.gz GAGVBQRHKNVOCE-UHFFFAOYSA-N 2 2 377.330 3.803 20 0 GHADLP Clc1cc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc2c1OCCO2 ZINC000435372744 850440643 /nfs/dbraw/zinc/44/06/43/850440643.db2.gz SGMWLEJCXYFRKF-GOSISDBHSA-N 2 2 387.911 3.651 20 0 GHADLP Clc1cc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc2c1OCCO2 ZINC000435372744 850440649 /nfs/dbraw/zinc/44/06/49/850440649.db2.gz SGMWLEJCXYFRKF-GOSISDBHSA-N 2 2 387.911 3.651 20 0 GHADLP CC(C)n1ncc2cc(C[N@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)cnc21 ZINC000435388122 850454086 /nfs/dbraw/zinc/45/40/86/850454086.db2.gz CXNKVGRZZPWUMZ-OAQYLSRUSA-N 2 2 378.524 3.552 20 0 GHADLP CC(C)n1ncc2cc(C[N@@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)cnc21 ZINC000435388122 850454096 /nfs/dbraw/zinc/45/40/96/850454096.db2.gz CXNKVGRZZPWUMZ-OAQYLSRUSA-N 2 2 378.524 3.552 20 0 GHADLP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000424435719 850468601 /nfs/dbraw/zinc/46/86/01/850468601.db2.gz LTKOOIPYGNOKKE-RTWAWAEBSA-N 2 2 375.476 3.701 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000481723814 862131995 /nfs/dbraw/zinc/13/19/95/862131995.db2.gz BHSUKVRRTDRBBQ-YLJYHZDGSA-N 2 2 381.520 3.588 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000481723814 862132002 /nfs/dbraw/zinc/13/20/02/862132002.db2.gz BHSUKVRRTDRBBQ-YLJYHZDGSA-N 2 2 381.520 3.588 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1cc2cc(OC)ccc2o1)[C@H]1CC12CC[NH2+]CC2 ZINC000435433984 850492957 /nfs/dbraw/zinc/49/29/57/850492957.db2.gz QCFOAGAUVVLIMZ-NRFANRHFSA-N 2 2 394.519 3.802 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1cc2cc(OC)ccc2o1)[C@H]1CC12CC[NH2+]CC2 ZINC000435433984 850492961 /nfs/dbraw/zinc/49/29/61/850492961.db2.gz QCFOAGAUVVLIMZ-NRFANRHFSA-N 2 2 394.519 3.802 20 0 GHADLP CCOCc1cc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)ccc1OC ZINC000435446374 850535484 /nfs/dbraw/zinc/53/54/84/850535484.db2.gz ZULBLCHHDJVYQW-SFHVURJKSA-N 2 2 389.565 3.608 20 0 GHADLP CCOCc1cc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)ccc1OC ZINC000435446374 850535492 /nfs/dbraw/zinc/53/54/92/850535492.db2.gz ZULBLCHHDJVYQW-SFHVURJKSA-N 2 2 389.565 3.608 20 0 GHADLP Cc1ncsc1C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC000435448495 850537271 /nfs/dbraw/zinc/53/72/71/850537271.db2.gz WXZVRCWNRHISTR-HNNXBMFYSA-N 2 2 385.455 3.962 20 0 GHADLP Cc1ncsc1C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC000435448495 850537281 /nfs/dbraw/zinc/53/72/81/850537281.db2.gz WXZVRCWNRHISTR-HNNXBMFYSA-N 2 2 385.455 3.962 20 0 GHADLP CC[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435622763 850707923 /nfs/dbraw/zinc/70/79/23/850707923.db2.gz ANZQVAXZMAWHJK-CYBMUJFWSA-N 2 2 388.737 3.505 20 0 GHADLP CC[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435622763 850707931 /nfs/dbraw/zinc/70/79/31/850707931.db2.gz ANZQVAXZMAWHJK-CYBMUJFWSA-N 2 2 388.737 3.505 20 0 GHADLP CC[C@H](Cc1ccccc1C)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000424886724 850767336 /nfs/dbraw/zinc/76/73/36/850767336.db2.gz GCPRMYGJGUQZOS-OAQYLSRUSA-N 2 2 385.596 3.582 20 0 GHADLP CC[C@H](Cc1ccccc1C)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000424886724 850767340 /nfs/dbraw/zinc/76/73/40/850767340.db2.gz GCPRMYGJGUQZOS-OAQYLSRUSA-N 2 2 385.596 3.582 20 0 GHADLP CC[NH+]1CCN(c2ccccc2C[N@H+](C)CC(=O)Nc2cccc(C)c2C)CC1 ZINC000506807402 850986215 /nfs/dbraw/zinc/98/62/15/850986215.db2.gz UPMIGNOCVCVFTI-UHFFFAOYSA-N 2 2 394.563 3.516 20 0 GHADLP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)CC(=O)Nc2cccc(C)c2C)CC1 ZINC000506807402 850986228 /nfs/dbraw/zinc/98/62/28/850986228.db2.gz UPMIGNOCVCVFTI-UHFFFAOYSA-N 2 2 394.563 3.516 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2ccccc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000519396026 851001652 /nfs/dbraw/zinc/00/16/52/851001652.db2.gz UBUIZGKWXOLQCH-SLFFLAALSA-N 2 2 389.902 3.739 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2ccccc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000519396026 851001658 /nfs/dbraw/zinc/00/16/58/851001658.db2.gz UBUIZGKWXOLQCH-SLFFLAALSA-N 2 2 389.902 3.739 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000515534953 851142619 /nfs/dbraw/zinc/14/26/19/851142619.db2.gz VLFPTZXCOIJSJC-TZIWHRDSSA-N 2 2 397.567 3.530 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000515534953 851142624 /nfs/dbraw/zinc/14/26/24/851142624.db2.gz VLFPTZXCOIJSJC-TZIWHRDSSA-N 2 2 397.567 3.530 20 0 GHADLP Cc1cc(C)n(-c2ccc(C[N@@H+](Cc3scnc3C)C[C@H]3CC[NH2+]C3)cc2)n1 ZINC000436050661 851149598 /nfs/dbraw/zinc/14/95/98/851149598.db2.gz OCWVULFSXVVVLC-FQEVSTJZSA-N 2 2 395.576 3.866 20 0 GHADLP Cc1cc(C)n(-c2ccc(C[N@H+](Cc3scnc3C)C[C@H]3CC[NH2+]C3)cc2)n1 ZINC000436050661 851149604 /nfs/dbraw/zinc/14/96/04/851149604.db2.gz OCWVULFSXVVVLC-FQEVSTJZSA-N 2 2 395.576 3.866 20 0 GHADLP Cc1ccc(Cl)c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000434482326 851170415 /nfs/dbraw/zinc/17/04/15/851170415.db2.gz HIZYFHORILIBTK-UHFFFAOYSA-N 2 2 378.948 3.637 20 0 GHADLP C[NH+](C)CC1CC[NH+](Cc2ccc(I)c(Cl)c2)CC1 ZINC000436155956 851268202 /nfs/dbraw/zinc/26/82/02/851268202.db2.gz OGKOVBIWVJBYJR-UHFFFAOYSA-N 2 2 392.712 3.718 20 0 GHADLP O=C1[C@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCN1c1ccccc1Cl ZINC000434680141 851448443 /nfs/dbraw/zinc/44/84/43/851448443.db2.gz HLYSGWCCHQBTJZ-HXUWFJFHSA-N 2 2 398.938 3.858 20 0 GHADLP CC(C)N(C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000434691439 851481603 /nfs/dbraw/zinc/48/16/03/851481603.db2.gz QZSQZUQTXMSYCD-UHFFFAOYSA-N 2 2 380.536 3.840 20 0 GHADLP CCc1ccc([C@H](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+](C)C)cc1 ZINC000425150937 851529012 /nfs/dbraw/zinc/52/90/12/851529012.db2.gz WFWFEQJOEZQKDQ-YADHBBJMSA-N 2 2 390.531 3.913 20 0 GHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000111243899 851580661 /nfs/dbraw/zinc/58/06/61/851580661.db2.gz JNFCFZRVWGPPDR-JOCHJYFZSA-N 2 2 384.499 3.707 20 0 GHADLP CC1(C)C[NH+](CCOCC[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)[C@H]1c1cccnc1 ZINC000664825035 851596189 /nfs/dbraw/zinc/59/61/89/851596189.db2.gz ZSRYVKPPTBXYCP-VXKWHMMOSA-N 2 2 394.563 3.959 20 0 GHADLP CC1(C)C[NH+](CCOCC[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)[C@H]1c1cccnc1 ZINC000664825035 851596199 /nfs/dbraw/zinc/59/61/99/851596199.db2.gz ZSRYVKPPTBXYCP-VXKWHMMOSA-N 2 2 394.563 3.959 20 0 GHADLP COc1cccc(C[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167974351 851664497 /nfs/dbraw/zinc/66/44/97/851664497.db2.gz XJDXLDKZHILLGJ-NOTZXAQLSA-N 3 2 383.580 3.655 20 0 GHADLP COc1cccc(C[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167974351 851664501 /nfs/dbraw/zinc/66/45/01/851664501.db2.gz XJDXLDKZHILLGJ-NOTZXAQLSA-N 3 2 383.580 3.655 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(Br)n2)[C@H](C)C1 ZINC000925077299 851832316 /nfs/dbraw/zinc/83/23/16/851832316.db2.gz FHOFBSGCSWWBKH-OAGGEKHMSA-N 2 2 384.362 3.632 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(Br)n2)[C@H](C)C1 ZINC000925077299 851832320 /nfs/dbraw/zinc/83/23/20/851832320.db2.gz FHOFBSGCSWWBKH-OAGGEKHMSA-N 2 2 384.362 3.632 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000180731937 862302299 /nfs/dbraw/zinc/30/22/99/862302299.db2.gz MDODVLLHJJDAGW-AVRDEDQJSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000180731937 862302318 /nfs/dbraw/zinc/30/23/18/862302318.db2.gz MDODVLLHJJDAGW-AVRDEDQJSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000180731937 862302335 /nfs/dbraw/zinc/30/23/35/862302335.db2.gz MDODVLLHJJDAGW-AVRDEDQJSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000180731937 862302353 /nfs/dbraw/zinc/30/23/53/862302353.db2.gz MDODVLLHJJDAGW-AVRDEDQJSA-N 2 2 381.520 3.585 20 0 GHADLP C[C@@]1(CNC(=O)NCCCCNc2cccc[nH+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000489054086 851955070 /nfs/dbraw/zinc/95/50/70/851955070.db2.gz PGTNSKCYEULBJK-QHCPKHFHSA-N 2 2 395.551 3.628 20 0 GHADLP C[C@@]1(CNC(=O)NCCCCNc2cccc[nH+]2)CCC[N@H+]1Cc1ccccc1 ZINC000489054086 851955081 /nfs/dbraw/zinc/95/50/81/851955081.db2.gz PGTNSKCYEULBJK-QHCPKHFHSA-N 2 2 395.551 3.628 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000436472426 851957474 /nfs/dbraw/zinc/95/74/74/851957474.db2.gz XRVJAZFAPBRHOW-VQTJNVASSA-N 2 2 394.563 3.622 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438153814 852066581 /nfs/dbraw/zinc/06/65/81/852066581.db2.gz ORVQUYYOBHVPAK-HXUWFJFHSA-N 2 2 389.588 3.664 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438153814 852066589 /nfs/dbraw/zinc/06/65/89/852066589.db2.gz ORVQUYYOBHVPAK-HXUWFJFHSA-N 2 2 389.588 3.664 20 0 GHADLP Cc1cn2cc(NC(=O)NC3[C@H](C)C[NH+](Cc4ccccc4)C[C@H]3C)ccc2[nH+]1 ZINC000473800701 852086144 /nfs/dbraw/zinc/08/61/44/852086144.db2.gz SEGMDKTYBNGVPZ-IAGOWNOFSA-N 2 2 391.519 3.921 20 0 GHADLP CC(C)C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000180769968 862329578 /nfs/dbraw/zinc/32/95/78/862329578.db2.gz LCWADHRPSDJCOQ-QHCPKHFHSA-N 2 2 395.547 3.834 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000180803590 862349533 /nfs/dbraw/zinc/34/95/33/862349533.db2.gz XJDJEWPBSYIULJ-KNQAVFIVSA-N 2 2 390.531 3.899 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000180803590 862349551 /nfs/dbraw/zinc/34/95/51/862349551.db2.gz XJDJEWPBSYIULJ-KNQAVFIVSA-N 2 2 390.531 3.899 20 0 GHADLP Cc1ccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000669003216 852568882 /nfs/dbraw/zinc/56/88/82/852568882.db2.gz ICBDMCRMRFVHHQ-IBGZPJMESA-N 2 2 392.503 3.819 20 0 GHADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000425676800 852618640 /nfs/dbraw/zinc/61/86/40/852618640.db2.gz TXSBAQAPLCJSTM-WOJBJXKFSA-N 2 2 379.508 3.635 20 0 GHADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000425676800 852618642 /nfs/dbraw/zinc/61/86/42/852618642.db2.gz TXSBAQAPLCJSTM-WOJBJXKFSA-N 2 2 379.508 3.635 20 0 GHADLP C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000414896267 852649302 /nfs/dbraw/zinc/64/93/02/852649302.db2.gz BFTWUBKQTBTIHM-FGTMMUONSA-N 2 2 396.535 3.637 20 0 GHADLP C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000414896267 852649305 /nfs/dbraw/zinc/64/93/05/852649305.db2.gz BFTWUBKQTBTIHM-FGTMMUONSA-N 2 2 396.535 3.637 20 0 GHADLP Cc1cc(CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc(N2CCCC2)[nH+]1 ZINC000518021420 852741914 /nfs/dbraw/zinc/74/19/14/852741914.db2.gz NTTWQCOJXUOTTJ-FQEVSTJZSA-N 2 2 386.927 3.563 20 0 GHADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000507552445 853018103 /nfs/dbraw/zinc/01/81/03/853018103.db2.gz KPPLJPFPSWTYMI-UHFFFAOYSA-N 2 2 382.552 3.864 20 0 GHADLP C[C@H](c1nnc(SCC[NH+]2CCCC2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000732709761 862439528 /nfs/dbraw/zinc/43/95/28/862439528.db2.gz IFKKROBJDNMEGC-CQSZACIVSA-N 2 2 379.961 3.731 20 0 GHADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059828 853432136 /nfs/dbraw/zinc/43/21/36/853432136.db2.gz JKRTWQVXOFRQKQ-LEWJYISDSA-N 2 2 383.580 3.548 20 0 GHADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059828 853432144 /nfs/dbraw/zinc/43/21/44/853432144.db2.gz JKRTWQVXOFRQKQ-LEWJYISDSA-N 2 2 383.580 3.548 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccc(F)cc1 ZINC000519824042 853532908 /nfs/dbraw/zinc/53/29/08/853532908.db2.gz GYTZXCRAMXXYNB-RBBKRZOGSA-N 2 2 393.506 3.718 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccc(F)cc1 ZINC000519824042 853532909 /nfs/dbraw/zinc/53/29/09/853532909.db2.gz GYTZXCRAMXXYNB-RBBKRZOGSA-N 2 2 393.506 3.718 20 0 GHADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](Cc3cccs3)C(C)C)CC2)c1 ZINC000518596369 853536404 /nfs/dbraw/zinc/53/64/04/853536404.db2.gz UXDQMCGZTZEZAE-UHFFFAOYSA-N 2 2 385.577 3.611 20 0 GHADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](Cc3cccs3)C(C)C)CC2)c1 ZINC000518596369 853536413 /nfs/dbraw/zinc/53/64/13/853536413.db2.gz UXDQMCGZTZEZAE-UHFFFAOYSA-N 2 2 385.577 3.611 20 0 GHADLP Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(NCCNc3cccc(C)[nH+]3)c12 ZINC000506157187 853649628 /nfs/dbraw/zinc/64/96/28/853649628.db2.gz FSOXTFGYOUHDJC-UHFFFAOYSA-N 2 2 376.464 3.917 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168378524 853800601 /nfs/dbraw/zinc/80/06/01/853800601.db2.gz WJXVPFXNHQPWLN-DEOSSOPVSA-N 3 2 397.607 3.616 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168378524 853800609 /nfs/dbraw/zinc/80/06/09/853800609.db2.gz WJXVPFXNHQPWLN-DEOSSOPVSA-N 3 2 397.607 3.616 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000732780257 862506514 /nfs/dbraw/zinc/50/65/14/862506514.db2.gz IUKHHLLEXTZJON-NRFANRHFSA-N 2 2 385.596 3.592 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000732780257 862506522 /nfs/dbraw/zinc/50/65/22/862506522.db2.gz IUKHHLLEXTZJON-NRFANRHFSA-N 2 2 385.596 3.592 20 0 GHADLP Fc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1-n1cncn1 ZINC000571567164 853951370 /nfs/dbraw/zinc/95/13/70/853951370.db2.gz FJTKXIZACCONDL-HSZRJFAPSA-N 2 2 391.494 3.504 20 0 GHADLP Fc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1-n1cncn1 ZINC000571567164 853951378 /nfs/dbraw/zinc/95/13/78/853951378.db2.gz FJTKXIZACCONDL-HSZRJFAPSA-N 2 2 391.494 3.504 20 0 GHADLP Fc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1-n1cncn1 ZINC000571567164 853951380 /nfs/dbraw/zinc/95/13/80/853951380.db2.gz FJTKXIZACCONDL-HSZRJFAPSA-N 2 2 391.494 3.504 20 0 GHADLP Fc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1-n1cncn1 ZINC000571567164 853951387 /nfs/dbraw/zinc/95/13/87/853951387.db2.gz FJTKXIZACCONDL-HSZRJFAPSA-N 2 2 391.494 3.504 20 0 GHADLP CN(C(=O)c1cccc2cc[nH]c21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000571704352 853994129 /nfs/dbraw/zinc/99/41/29/853994129.db2.gz VNEJGKGWUCBGEU-LEWJYISDSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1cccc2cc[nH]c21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000571704352 853994135 /nfs/dbraw/zinc/99/41/35/853994135.db2.gz VNEJGKGWUCBGEU-LEWJYISDSA-N 2 2 382.552 3.577 20 0 GHADLP Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441382274 854142646 /nfs/dbraw/zinc/14/26/46/854142646.db2.gz KJBHHCJTHBCTFY-REWPJTCUSA-N 2 2 390.531 3.844 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NCc2ccccc2C)c(C)c1 ZINC000441368602 854151353 /nfs/dbraw/zinc/15/13/53/854151353.db2.gz BPNDWMLSSADWEV-OFNKIYASSA-N 2 2 390.531 3.844 20 0 GHADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000328650300 854490056 /nfs/dbraw/zinc/49/00/56/854490056.db2.gz JBYCSHGRNAXYAR-PKOBYXMFSA-N 2 2 380.536 3.988 20 0 GHADLP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000328650300 854490061 /nfs/dbraw/zinc/49/00/61/854490061.db2.gz JBYCSHGRNAXYAR-PKOBYXMFSA-N 2 2 380.536 3.988 20 0 GHADLP CC[N@@H+](CC(=O)Nc1c(C)cccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072867870 854731089 /nfs/dbraw/zinc/73/10/89/854731089.db2.gz OTWNGZVWBQUPPJ-UHFFFAOYSA-N 2 2 380.536 3.875 20 0 GHADLP CC[N@H+](CC(=O)Nc1c(C)cccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072867870 854731097 /nfs/dbraw/zinc/73/10/97/854731097.db2.gz OTWNGZVWBQUPPJ-UHFFFAOYSA-N 2 2 380.536 3.875 20 0 GHADLP COc1ccc([C@@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccc(O)cc4)CC3)CCO2)cc1 ZINC001168613690 854873826 /nfs/dbraw/zinc/87/38/26/854873826.db2.gz JZCRXGXWMGNNBN-QPPBQGQZSA-N 2 2 396.531 3.875 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@]3(CO)C[C@H]3c3ccc(F)cc3)CC2)cc1 ZINC000760039786 855606762 /nfs/dbraw/zinc/60/67/62/855606762.db2.gz FTHAODUUJCXIDG-BJKOFHAPSA-N 2 2 397.538 3.616 20 0 GHADLP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000590851707 855615132 /nfs/dbraw/zinc/61/51/32/855615132.db2.gz DVWDJOUVJVPQHK-JOCHJYFZSA-N 2 2 395.551 3.662 20 0 GHADLP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000590851708 855615363 /nfs/dbraw/zinc/61/53/63/855615363.db2.gz DVWDJOUVJVPQHK-QFIPXVFZSA-N 2 2 395.551 3.662 20 0 GHADLP OCC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000624290186 855984841 /nfs/dbraw/zinc/98/48/41/855984841.db2.gz XANODJXPZLUCHZ-RTBURBONSA-N 2 2 387.351 3.650 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000591450940 855994039 /nfs/dbraw/zinc/99/40/39/855994039.db2.gz RRHICFSWLRAVHP-LJQANCHMSA-N 2 2 396.535 3.614 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000591450940 855994055 /nfs/dbraw/zinc/99/40/55/855994055.db2.gz RRHICFSWLRAVHP-LJQANCHMSA-N 2 2 396.535 3.614 20 0 GHADLP C[C@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1c[nH]c2ccccc21 ZINC000573417416 856111585 /nfs/dbraw/zinc/11/15/85/856111585.db2.gz PTFXUEZJIKQQTB-LJQANCHMSA-N 2 2 396.579 3.728 20 0 GHADLP Cc1ccccc1[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000674329698 856173178 /nfs/dbraw/zinc/17/31/78/856173178.db2.gz KPQVIMGCANUNMB-RXVVDRJESA-N 2 2 386.584 3.550 20 0 GHADLP Cc1ccccc1[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000674329698 856173185 /nfs/dbraw/zinc/17/31/85/856173185.db2.gz KPQVIMGCANUNMB-RXVVDRJESA-N 2 2 386.584 3.550 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181154624 862775841 /nfs/dbraw/zinc/77/58/41/862775841.db2.gz LBSWMMNITQVJCC-PMACEKPBSA-N 2 2 395.950 3.851 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181154624 862775846 /nfs/dbraw/zinc/77/58/46/862775846.db2.gz LBSWMMNITQVJCC-PMACEKPBSA-N 2 2 395.950 3.851 20 0 GHADLP Cc1ccc([C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CCC2)cc1 ZINC000427708538 856620916 /nfs/dbraw/zinc/62/09/16/856620916.db2.gz ZUHFOSKEOBLXMC-DEOSSOPVSA-N 2 2 392.547 3.560 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000674758803 856775015 /nfs/dbraw/zinc/77/50/15/856775015.db2.gz SUKYAGPBXHGOPN-OAHLLOKOSA-N 2 2 387.447 3.644 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1ccc(-c2nccs2)n1 ZINC000766090500 857004053 /nfs/dbraw/zinc/00/40/53/857004053.db2.gz DXJFBCRNOVKGAN-UHFFFAOYSA-N 2 2 382.537 3.598 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1ccc(-c2nccs2)n1 ZINC000766090500 857004061 /nfs/dbraw/zinc/00/40/61/857004061.db2.gz DXJFBCRNOVKGAN-UHFFFAOYSA-N 2 2 382.537 3.598 20 0 GHADLP C[NH+]1CCC(CNC(=O)NC2(c3ccccc3)CCCC2)([NH+]2CCCCC2)CC1 ZINC000465922288 857019342 /nfs/dbraw/zinc/01/93/42/857019342.db2.gz DRCALHJYRWTAEK-UHFFFAOYSA-N 2 2 398.595 3.705 20 0 GHADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1C ZINC000665253236 857021615 /nfs/dbraw/zinc/02/16/15/857021615.db2.gz LIVSBZZDQXAIAE-BSLALVQMSA-N 2 2 383.511 3.895 20 0 GHADLP C[C@H](C(=O)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000508193134 857051376 /nfs/dbraw/zinc/05/13/76/857051376.db2.gz JNCIHGOPYHCWBL-IXDOHACOSA-N 2 2 398.576 3.901 20 0 GHADLP C[C@H](C(=O)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000508193134 857051383 /nfs/dbraw/zinc/05/13/83/857051383.db2.gz JNCIHGOPYHCWBL-IXDOHACOSA-N 2 2 398.576 3.901 20 0 GHADLP C[C@H](C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[NH+]1[C@H](C)CC[C@@H]1C ZINC000508193134 857051392 /nfs/dbraw/zinc/05/13/92/857051392.db2.gz JNCIHGOPYHCWBL-IXDOHACOSA-N 2 2 398.576 3.901 20 0 GHADLP C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[NH+]1[C@H](C)CC[C@@H]1C ZINC000508193134 857051402 /nfs/dbraw/zinc/05/14/02/857051402.db2.gz JNCIHGOPYHCWBL-IXDOHACOSA-N 2 2 398.576 3.901 20 0 GHADLP CC(C)C[C@H](CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000675196542 857080327 /nfs/dbraw/zinc/08/03/27/857080327.db2.gz CCCJWDSFJRWXCE-FCEUIQTBSA-N 2 2 397.567 3.995 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000665255332 857098379 /nfs/dbraw/zinc/09/83/79/857098379.db2.gz PCOQWOXZMJNFIY-YROCYRMSSA-N 2 2 393.531 3.766 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]CC3=Cc4ccccc4OC3)CC2)c1 ZINC000520950901 857427552 /nfs/dbraw/zinc/42/75/52/857427552.db2.gz LCOKSKNXTUAFKD-UHFFFAOYSA-N 2 2 377.532 3.573 20 0 GHADLP Fc1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000282230950 857481835 /nfs/dbraw/zinc/48/18/35/857481835.db2.gz ZHVFZTFPAFJMRG-INIZCTEOSA-N 2 2 381.455 3.788 20 0 GHADLP Fc1ccc(-c2noc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000282230950 857481840 /nfs/dbraw/zinc/48/18/40/857481840.db2.gz ZHVFZTFPAFJMRG-INIZCTEOSA-N 2 2 381.455 3.788 20 0 GHADLP COc1cc(Br)c(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000060978604 857491181 /nfs/dbraw/zinc/49/11/81/857491181.db2.gz ANRVXHDCDKLYIA-GASCZTMLSA-N 2 2 399.373 3.924 20 0 GHADLP COc1cc(Br)c(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000060978604 857491178 /nfs/dbraw/zinc/49/11/78/857491178.db2.gz ANRVXHDCDKLYIA-GASCZTMLSA-N 2 2 399.373 3.924 20 0 GHADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919914 857666096 /nfs/dbraw/zinc/66/60/96/857666096.db2.gz PMLHJSPOOSBOIM-YLJYHZDGSA-N 2 2 392.503 3.719 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000676191288 857769346 /nfs/dbraw/zinc/76/93/46/857769346.db2.gz IONVBWUCXQNKTN-GOSISDBHSA-N 2 2 396.457 3.834 20 0 GHADLP COc1cc(C)c(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1OC ZINC000676201699 857783177 /nfs/dbraw/zinc/78/31/77/857783177.db2.gz GRTRBSRZVVHPFI-UHFFFAOYSA-N 2 2 384.524 3.550 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000065992109 857893489 /nfs/dbraw/zinc/89/34/89/857893489.db2.gz BMALETUYMYEEAV-UHFFFAOYSA-N 2 2 378.451 3.862 20 0 GHADLP CN(C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C(c1ccccc1)c1ccccc1 ZINC000676479418 857910656 /nfs/dbraw/zinc/91/06/56/857910656.db2.gz TWPJGNIDFMCOLJ-JOCHJYFZSA-N 2 2 388.515 3.768 20 0 GHADLP CN(C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C(c1ccccc1)c1ccccc1 ZINC000676479418 857910661 /nfs/dbraw/zinc/91/06/61/857910661.db2.gz TWPJGNIDFMCOLJ-JOCHJYFZSA-N 2 2 388.515 3.768 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543025259 857931438 /nfs/dbraw/zinc/93/14/38/857931438.db2.gz SFBOTJOLAWAMRX-IEBWSBKVSA-N 2 2 392.906 3.796 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543025259 857931439 /nfs/dbraw/zinc/93/14/39/857931439.db2.gz SFBOTJOLAWAMRX-IEBWSBKVSA-N 2 2 392.906 3.796 20 0 GHADLP C[C@@H]1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000442606436 857994482 /nfs/dbraw/zinc/99/44/82/857994482.db2.gz FPLKIUULFPERDB-UXHICEINSA-N 2 2 387.572 3.522 20 0 GHADLP Cc1ccc(S(=O)(=O)CCC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000543060213 858135472 /nfs/dbraw/zinc/13/54/72/858135472.db2.gz BWIBSIWNHFVOHJ-UHFFFAOYSA-N 2 2 389.565 3.548 20 0 GHADLP COCCC[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cc1 ZINC000442872533 858189536 /nfs/dbraw/zinc/18/95/36/858189536.db2.gz ZAKKXAXCJSKFCY-NHCUHLMSSA-N 2 2 386.515 3.941 20 0 GHADLP COC(=O)c1cc2cc(C[NH+]3CCC([NH2+]Cc4ccccc4)CC3)ccc2o1 ZINC000595511943 858548905 /nfs/dbraw/zinc/54/89/05/858548905.db2.gz WFBSGOXFLZGNGO-UHFFFAOYSA-N 2 2 378.472 3.974 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cn2)[C@H](C)C1 ZINC000575107252 858589998 /nfs/dbraw/zinc/58/99/98/858589998.db2.gz YWRVIUIYDCYORU-VYDXJSESSA-N 2 2 384.362 3.632 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cn2)[C@H](C)C1 ZINC000575107252 858590000 /nfs/dbraw/zinc/59/00/00/858590000.db2.gz YWRVIUIYDCYORU-VYDXJSESSA-N 2 2 384.362 3.632 20 0 GHADLP CC(C)C[C@H]1CCCCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466178679 858608206 /nfs/dbraw/zinc/60/82/06/858608206.db2.gz QSRWJOUKFUGDTB-OAQYLSRUSA-N 2 2 392.632 3.937 20 0 GHADLP CC(C)[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000115834548 858685206 /nfs/dbraw/zinc/68/52/06/858685206.db2.gz WIMFLCPWHFRSOM-HXUWFJFHSA-N 2 2 394.991 3.705 20 0 GHADLP CC(C)[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000115834548 858685215 /nfs/dbraw/zinc/68/52/15/858685215.db2.gz WIMFLCPWHFRSOM-HXUWFJFHSA-N 2 2 394.991 3.705 20 0 GHADLP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000482863235 858926382 /nfs/dbraw/zinc/92/63/82/858926382.db2.gz ZLPUSEXQNQRSGU-UHFFFAOYSA-N 2 2 383.540 3.716 20 0 GHADLP CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)cc1Cl ZINC000482873790 858932477 /nfs/dbraw/zinc/93/24/77/858932477.db2.gz WXATXADPMZBUJG-GOSISDBHSA-N 2 2 386.367 3.977 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000668171803 858993410 /nfs/dbraw/zinc/99/34/10/858993410.db2.gz XBLCSBRTHOZFAK-XMMPIXPASA-N 2 2 380.532 3.951 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000668171803 858993415 /nfs/dbraw/zinc/99/34/15/858993415.db2.gz XBLCSBRTHOZFAK-XMMPIXPASA-N 2 2 380.532 3.951 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(Cl)cc3F)C2)ccn1 ZINC000856551263 881368806 /nfs/dbraw/zinc/36/88/06/881368806.db2.gz NYDCAXLAHFGECV-LJQANCHMSA-N 2 2 377.891 3.979 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(Cl)cc3F)C2)ccn1 ZINC000856551263 881368825 /nfs/dbraw/zinc/36/88/25/881368825.db2.gz NYDCAXLAHFGECV-LJQANCHMSA-N 2 2 377.891 3.979 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3F)C2)ccn1 ZINC000856551263 881368846 /nfs/dbraw/zinc/36/88/46/881368846.db2.gz NYDCAXLAHFGECV-LJQANCHMSA-N 2 2 377.891 3.979 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3F)C2)ccn1 ZINC000856551263 881368865 /nfs/dbraw/zinc/36/88/65/881368865.db2.gz NYDCAXLAHFGECV-LJQANCHMSA-N 2 2 377.891 3.979 20 0 GHADLP Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C1)CC2 ZINC000482942658 858998036 /nfs/dbraw/zinc/99/80/36/858998036.db2.gz FCUOQCUGYCDFPA-XXBNENTESA-N 2 2 394.538 3.742 20 0 GHADLP Fc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C1)CC2 ZINC000482942658 858998047 /nfs/dbraw/zinc/99/80/47/858998047.db2.gz FCUOQCUGYCDFPA-XXBNENTESA-N 2 2 394.538 3.742 20 0 GHADLP COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429681954 859010875 /nfs/dbraw/zinc/01/08/75/859010875.db2.gz XCGNLVYYHBPGGH-DNQXCXABSA-N 2 2 394.559 3.993 20 0 GHADLP COc1ccccc1C[C@H]1CCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429681954 859010888 /nfs/dbraw/zinc/01/08/88/859010888.db2.gz XCGNLVYYHBPGGH-DNQXCXABSA-N 2 2 394.559 3.993 20 0 GHADLP COc1ccccc1C[C@H]1CCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429681954 859010898 /nfs/dbraw/zinc/01/08/98/859010898.db2.gz XCGNLVYYHBPGGH-DNQXCXABSA-N 2 2 394.559 3.993 20 0 GHADLP COc1ccccc1C[C@H]1CCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429681954 859010906 /nfs/dbraw/zinc/01/09/06/859010906.db2.gz XCGNLVYYHBPGGH-DNQXCXABSA-N 2 2 394.559 3.993 20 0 GHADLP Fc1cc(Br)cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000482972548 859024825 /nfs/dbraw/zinc/02/48/25/859024825.db2.gz RAARWUXKFMPXDM-UHFFFAOYSA-N 2 2 385.321 3.523 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000483144971 859179981 /nfs/dbraw/zinc/17/99/81/859179981.db2.gz TUHARPOZAFYRMJ-KRWDZBQOSA-N 2 2 381.476 3.757 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(-n2cncn2)cc1Cl ZINC000483152431 859183465 /nfs/dbraw/zinc/18/34/65/859183465.db2.gz IEHODVBPQVUMFX-OAHLLOKOSA-N 2 2 378.867 3.957 20 0 GHADLP C[C@H](c1cccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1)[NH+]1CCOCC1 ZINC000483181891 859194452 /nfs/dbraw/zinc/19/44/52/859194452.db2.gz GYAWVXHGMADANH-UYAOXDASSA-N 2 2 385.552 3.673 20 0 GHADLP C[C@H](c1cccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1)[NH+]1CCOCC1 ZINC000483181891 859194460 /nfs/dbraw/zinc/19/44/60/859194460.db2.gz GYAWVXHGMADANH-UYAOXDASSA-N 2 2 385.552 3.673 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000923343854 859242209 /nfs/dbraw/zinc/24/22/09/859242209.db2.gz YAOFCSMRIFFQOT-INIZCTEOSA-N 2 2 384.471 3.645 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000923343854 859242217 /nfs/dbraw/zinc/24/22/17/859242217.db2.gz YAOFCSMRIFFQOT-INIZCTEOSA-N 2 2 384.471 3.645 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1F ZINC000597063102 859259690 /nfs/dbraw/zinc/25/96/90/859259690.db2.gz FSPTXSVHVUEIRB-OAQYLSRUSA-N 2 2 381.451 3.957 20 0 GHADLP CN(C(=O)CC1CCC(c2ccccc2)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479505 859292674 /nfs/dbraw/zinc/29/26/74/859292674.db2.gz OSPVEASHBWQAHA-LLAFXHEGSA-N 2 2 397.607 3.977 20 0 GHADLP CN(C(=O)CC1CCC(c2ccccc2)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479505 859292685 /nfs/dbraw/zinc/29/26/85/859292685.db2.gz OSPVEASHBWQAHA-LLAFXHEGSA-N 2 2 397.607 3.977 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](c3ccccc3)C(C)(C)C)CC2)CC1 ZINC000051760646 859313901 /nfs/dbraw/zinc/31/39/01/859313901.db2.gz UZOPWJIHGZDBLV-NRFANRHFSA-N 2 2 386.584 3.632 20 0 GHADLP COc1cc(C[NH+](C)C)ccc1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000601619488 859379294 /nfs/dbraw/zinc/37/92/94/859379294.db2.gz DPHVWPKSZHQXBO-UHFFFAOYSA-N 2 2 398.532 3.585 20 0 GHADLP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191832193 859506689 /nfs/dbraw/zinc/50/66/89/859506689.db2.gz ROJAVERCVBMCRL-PZJWPPBQSA-N 2 2 398.547 3.954 20 0 GHADLP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191832193 859506693 /nfs/dbraw/zinc/50/66/93/859506693.db2.gz ROJAVERCVBMCRL-PZJWPPBQSA-N 2 2 398.547 3.954 20 0 GHADLP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191832218 859506765 /nfs/dbraw/zinc/50/67/65/859506765.db2.gz ROJAVERCVBMCRL-FPOVZHCZSA-N 2 2 398.547 3.954 20 0 GHADLP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191832218 859506768 /nfs/dbraw/zinc/50/67/68/859506768.db2.gz ROJAVERCVBMCRL-FPOVZHCZSA-N 2 2 398.547 3.954 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000764605178 859523984 /nfs/dbraw/zinc/52/39/84/859523984.db2.gz DQTCUOGAWYECGD-QGZVFWFLSA-N 2 2 381.520 3.843 20 0 GHADLP Fc1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2cccnc2)cc1 ZINC000543408642 859620232 /nfs/dbraw/zinc/62/02/32/859620232.db2.gz OZSPKNLLPUNPOV-XMMPIXPASA-N 2 2 391.490 3.932 20 0 GHADLP Cn1ccnc1[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccc1 ZINC000764811256 859626709 /nfs/dbraw/zinc/62/67/09/859626709.db2.gz XVOBZFLTWANUHZ-HSZRJFAPSA-N 2 2 389.547 3.834 20 0 GHADLP c1ccc([C@H]2C[C@H]([NH2+]Cc3ccnc(-c4ccccn4)n3)CC[N@@H+]2C2CC2)cc1 ZINC000895609268 859714529 /nfs/dbraw/zinc/71/45/29/859714529.db2.gz JHIXDZHETHPPMM-AUSIDOKSSA-N 2 2 385.515 3.996 20 0 GHADLP c1ccc([C@H]2C[C@H]([NH2+]Cc3ccnc(-c4ccccn4)n3)CC[N@H+]2C2CC2)cc1 ZINC000895609268 859714535 /nfs/dbraw/zinc/71/45/35/859714535.db2.gz JHIXDZHETHPPMM-AUSIDOKSSA-N 2 2 385.515 3.996 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cc(F)c(F)c(F)c1 ZINC000484149222 859836255 /nfs/dbraw/zinc/83/62/55/859836255.db2.gz VWTDQGCQBZZTQE-VHFSOBRXSA-N 2 2 378.438 3.638 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cc(F)c(F)c(F)c1 ZINC000484149222 859836266 /nfs/dbraw/zinc/83/62/66/859836266.db2.gz VWTDQGCQBZZTQE-VHFSOBRXSA-N 2 2 378.438 3.638 20 0 GHADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccccc1I ZINC000484300820 859933669 /nfs/dbraw/zinc/93/36/69/859933669.db2.gz SRDWDPZVQXBQBA-ZDUSSCGKSA-N 2 2 381.261 3.839 20 0 GHADLP CSc1ccccc1[C@@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000194866663 860004472 /nfs/dbraw/zinc/00/44/72/860004472.db2.gz PDLPERXKJWDEKN-GOSISDBHSA-N 2 2 386.561 3.970 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000532218521 881499558 /nfs/dbraw/zinc/49/95/58/881499558.db2.gz ANRLAKCANWTIAT-MSOLQXFVSA-N 2 2 379.976 3.787 20 0 GHADLP [NH3+]CC[C@H]1CN(c2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)c2ccccc21 ZINC001168543178 860150236 /nfs/dbraw/zinc/15/02/36/860150236.db2.gz ISEBPUHMGQAHDF-SFHVURJKSA-N 2 2 382.471 3.913 20 0 GHADLP Fc1ccc(-n2nccc2C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000474469508 860151315 /nfs/dbraw/zinc/15/13/15/860151315.db2.gz OWYSGOUFGSGBKC-UHFFFAOYSA-N 2 2 375.451 3.589 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000534789537 860253960 /nfs/dbraw/zinc/25/39/60/860253960.db2.gz NXPUAUCKVDGVSJ-NJYVYQBISA-N 2 2 398.938 3.571 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000534789537 860253970 /nfs/dbraw/zinc/25/39/70/860253970.db2.gz NXPUAUCKVDGVSJ-NJYVYQBISA-N 2 2 398.938 3.571 20 0 GHADLP C[NH+]1CC[C@@H](NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000534789537 860253980 /nfs/dbraw/zinc/25/39/80/860253980.db2.gz NXPUAUCKVDGVSJ-NJYVYQBISA-N 2 2 398.938 3.571 20 0 GHADLP C[NH+]1CC[C@@H](NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000534789537 860253988 /nfs/dbraw/zinc/25/39/88/860253988.db2.gz NXPUAUCKVDGVSJ-NJYVYQBISA-N 2 2 398.938 3.571 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CCCO2 ZINC000191832866 860361216 /nfs/dbraw/zinc/36/12/16/860361216.db2.gz HJFQGAMPJMQQFY-FYYLOGMGSA-N 2 2 396.531 3.790 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCCO2 ZINC000191832866 860361224 /nfs/dbraw/zinc/36/12/24/860361224.db2.gz HJFQGAMPJMQQFY-FYYLOGMGSA-N 2 2 396.531 3.790 20 0 GHADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000626088320 860396481 /nfs/dbraw/zinc/39/64/81/860396481.db2.gz UDXGKGRRWGQUSD-UHFFFAOYSA-N 2 2 395.547 3.737 20 0 GHADLP Oc1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1Br ZINC000904471224 860463816 /nfs/dbraw/zinc/46/38/16/860463816.db2.gz FRBPEZFCDSHZGP-BEFAXECRSA-N 2 2 389.293 3.500 20 0 GHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000474609381 860491567 /nfs/dbraw/zinc/49/15/67/860491567.db2.gz XPVYGGSMDQHFJT-UXHICEINSA-N 2 2 398.547 3.688 20 0 GHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000522456098 860494440 /nfs/dbraw/zinc/49/44/40/860494440.db2.gz GJGPMGGPZCEOID-UHFFFAOYSA-N 2 2 395.551 3.860 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C(C)(C)[NH3+])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000904597885 860526885 /nfs/dbraw/zinc/52/68/85/860526885.db2.gz UYTTUNBTSAZPKK-OALUTQOASA-N 2 2 388.462 3.726 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C(C)(C)[NH3+])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000904597885 860526891 /nfs/dbraw/zinc/52/68/91/860526891.db2.gz UYTTUNBTSAZPKK-OALUTQOASA-N 2 2 388.462 3.726 20 0 GHADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccccc1Br ZINC000116397075 860560119 /nfs/dbraw/zinc/56/01/19/860560119.db2.gz HJSZKXYEYMKPPL-CJNGLKHVSA-N 2 2 384.362 3.732 20 0 GHADLP COc1ccc(Br)cc1-c1nc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cs1 ZINC000484972458 860563570 /nfs/dbraw/zinc/56/35/70/860563570.db2.gz OMWWVFBPGIVVHU-RYUDHWBXSA-N 2 2 396.354 3.750 20 0 GHADLP COc1ccc(Br)cc1-c1nc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cs1 ZINC000484972458 860563581 /nfs/dbraw/zinc/56/35/81/860563581.db2.gz OMWWVFBPGIVVHU-RYUDHWBXSA-N 2 2 396.354 3.750 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(-c4ccco4)on3)C2)ccn1 ZINC000856597012 881571634 /nfs/dbraw/zinc/57/16/34/881571634.db2.gz CKOVORYCNBPDJQ-FQEVSTJZSA-N 2 2 396.491 3.823 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(-c4ccco4)on3)C2)ccn1 ZINC000856597012 881571640 /nfs/dbraw/zinc/57/16/40/881571640.db2.gz CKOVORYCNBPDJQ-FQEVSTJZSA-N 2 2 396.491 3.823 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(-c4ccco4)on3)C2)ccn1 ZINC000856597012 881571648 /nfs/dbraw/zinc/57/16/48/881571648.db2.gz CKOVORYCNBPDJQ-FQEVSTJZSA-N 2 2 396.491 3.823 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(-c4ccco4)on3)C2)ccn1 ZINC000856597012 881571659 /nfs/dbraw/zinc/57/16/59/881571659.db2.gz CKOVORYCNBPDJQ-FQEVSTJZSA-N 2 2 396.491 3.823 20 0 GHADLP O=C1COc2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)cc2N1 ZINC000509071353 860797288 /nfs/dbraw/zinc/79/72/88/860797288.db2.gz PRYQSZHEIHAOMC-UNMCSNQZSA-N 2 2 391.515 3.504 20 0 GHADLP O=C1COc2ccc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)cc2N1 ZINC000509071353 860797290 /nfs/dbraw/zinc/79/72/90/860797290.db2.gz PRYQSZHEIHAOMC-UNMCSNQZSA-N 2 2 391.515 3.504 20 0 GHADLP O=C1COc2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2N1 ZINC000509071353 860797292 /nfs/dbraw/zinc/79/72/92/860797292.db2.gz PRYQSZHEIHAOMC-UNMCSNQZSA-N 2 2 391.515 3.504 20 0 GHADLP O=C1COc2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)cc2N1 ZINC000509071353 860797295 /nfs/dbraw/zinc/79/72/95/860797295.db2.gz PRYQSZHEIHAOMC-UNMCSNQZSA-N 2 2 391.515 3.504 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCC1)c1ccccc1 ZINC000603611236 860903646 /nfs/dbraw/zinc/90/36/46/860903646.db2.gz YWRINKXAWSALST-FPOVZHCZSA-N 2 2 395.551 3.893 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC000625143443 861015469 /nfs/dbraw/zinc/01/54/69/861015469.db2.gz QOIGESCRCKDAOX-ROUUACIJSA-N 2 2 399.535 3.983 20 0 GHADLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC1CC1 ZINC000623507711 861125303 /nfs/dbraw/zinc/12/53/03/861125303.db2.gz WZAFJHWBDZEENR-JOCHJYFZSA-N 2 2 396.531 3.617 20 0 GHADLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC1CC1 ZINC000623507711 861125306 /nfs/dbraw/zinc/12/53/06/861125306.db2.gz WZAFJHWBDZEENR-JOCHJYFZSA-N 2 2 396.531 3.617 20 0 GHADLP FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000182798712 863359409 /nfs/dbraw/zinc/35/94/09/863359409.db2.gz IQIVRVFRSUVWJC-KRWDZBQOSA-N 2 2 375.398 3.925 20 0 GHADLP FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000182798712 863359422 /nfs/dbraw/zinc/35/94/22/863359422.db2.gz IQIVRVFRSUVWJC-KRWDZBQOSA-N 2 2 375.398 3.925 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccccc1 ZINC000606376210 863570107 /nfs/dbraw/zinc/57/01/07/863570107.db2.gz LRAXILOJEONGIE-YYDVJCTNSA-N 2 2 395.547 3.927 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccccc1 ZINC000606376210 863570117 /nfs/dbraw/zinc/57/01/17/863570117.db2.gz LRAXILOJEONGIE-YYDVJCTNSA-N 2 2 395.547 3.927 20 0 GHADLP CC[NH+](C)[C@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccccc1 ZINC000606376210 863570128 /nfs/dbraw/zinc/57/01/28/863570128.db2.gz LRAXILOJEONGIE-YYDVJCTNSA-N 2 2 395.547 3.927 20 0 GHADLP CC[NH+](C)[C@H](C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccccc1 ZINC000606376210 863570139 /nfs/dbraw/zinc/57/01/39/863570139.db2.gz LRAXILOJEONGIE-YYDVJCTNSA-N 2 2 395.547 3.927 20 0 GHADLP CC(C)C[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000621516463 864245419 /nfs/dbraw/zinc/24/54/19/864245419.db2.gz YQNGSJBUXZKOJJ-LJQANCHMSA-N 2 2 389.540 3.572 20 0 GHADLP O[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000792872781 881762579 /nfs/dbraw/zinc/76/25/79/881762579.db2.gz PIPWHCBIUYZRIR-CCDWMCETSA-N 2 2 394.559 3.866 20 0 GHADLP O[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000792872781 881762593 /nfs/dbraw/zinc/76/25/93/881762593.db2.gz PIPWHCBIUYZRIR-CCDWMCETSA-N 2 2 394.559 3.866 20 0 GHADLP O[C@H](c1ccccc1)[C@@H]1CCCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000792872781 881762611 /nfs/dbraw/zinc/76/26/11/881762611.db2.gz PIPWHCBIUYZRIR-CCDWMCETSA-N 2 2 394.559 3.866 20 0 GHADLP O[C@H](c1ccccc1)[C@@H]1CCCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000792872781 881762625 /nfs/dbraw/zinc/76/26/25/881762625.db2.gz PIPWHCBIUYZRIR-CCDWMCETSA-N 2 2 394.559 3.866 20 0 GHADLP Cc1c([C@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)nnn1-c1ccc(F)cc1 ZINC000163502242 864526747 /nfs/dbraw/zinc/52/67/47/864526747.db2.gz RXOPSQUSLZEWCI-INIZCTEOSA-N 2 2 394.498 3.738 20 0 GHADLP C[N@@H+]1CCN(CCC[NH2+]Cc2occc2Br)[C@H](c2ccccc2)C1 ZINC000735320917 864722280 /nfs/dbraw/zinc/72/22/80/864722280.db2.gz RRDOWLJAIIWEPZ-SFHVURJKSA-N 2 2 392.341 3.511 20 0 GHADLP C[N@H+]1CCN(CCC[NH2+]Cc2occc2Br)[C@H](c2ccccc2)C1 ZINC000735320917 864722287 /nfs/dbraw/zinc/72/22/87/864722287.db2.gz RRDOWLJAIIWEPZ-SFHVURJKSA-N 2 2 392.341 3.511 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)C[C@H]1c1ccccc1 ZINC000173511770 864841083 /nfs/dbraw/zinc/84/10/83/864841083.db2.gz VYORGVWZPCPEEO-NRFANRHFSA-N 2 2 378.520 3.551 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)C[C@H]1c1ccccc1 ZINC000173511770 864841099 /nfs/dbraw/zinc/84/10/99/864841099.db2.gz VYORGVWZPCPEEO-NRFANRHFSA-N 2 2 378.520 3.551 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000168347010 864907685 /nfs/dbraw/zinc/90/76/85/864907685.db2.gz KSYAYSDDCYXVHV-KSSFIOAISA-N 2 2 379.426 3.822 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000168347010 864907699 /nfs/dbraw/zinc/90/76/99/864907699.db2.gz KSYAYSDDCYXVHV-KSSFIOAISA-N 2 2 379.426 3.822 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cnn(-c2ccc(F)cc2)c1)c1ccccc1 ZINC000608068942 864958888 /nfs/dbraw/zinc/95/88/88/864958888.db2.gz OMMSFEUVHCVGGU-NRFANRHFSA-N 2 2 375.451 3.819 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc(Cl)ccc1Br ZINC000554882259 865109865 /nfs/dbraw/zinc/10/98/65/865109865.db2.gz KCWAJQQZHUUVMA-UHFFFAOYSA-N 2 2 388.781 3.560 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc(Cl)ccc1Br ZINC000554882259 865109870 /nfs/dbraw/zinc/10/98/70/865109870.db2.gz KCWAJQQZHUUVMA-UHFFFAOYSA-N 2 2 388.781 3.560 20 0 GHADLP [NH3+]Cc1cccc(NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000667732168 865143818 /nfs/dbraw/zinc/14/38/18/865143818.db2.gz DJAUWXIQMNZHEU-SFHVURJKSA-N 2 2 390.890 3.896 20 0 GHADLP Cc1cccc([C@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)c1 ZINC000480758303 865238314 /nfs/dbraw/zinc/23/83/14/865238314.db2.gz NAWPNQDLPVPCDK-RDPSFJRHSA-N 2 2 390.531 3.905 20 0 GHADLP O[C@H](C[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000480793886 865285388 /nfs/dbraw/zinc/28/53/88/865285388.db2.gz IICNEUFGVQYUPJ-GGAORHGYSA-N 2 2 392.543 3.832 20 0 GHADLP O[C@H](C[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000480793886 865285396 /nfs/dbraw/zinc/28/53/96/865285396.db2.gz IICNEUFGVQYUPJ-GGAORHGYSA-N 2 2 392.543 3.832 20 0 GHADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNc2cc[nH+]c3ccsc32)c1 ZINC000301350764 865303694 /nfs/dbraw/zinc/30/36/94/865303694.db2.gz IUOHCCPLDWLVSG-UHFFFAOYSA-N 2 2 396.516 3.569 20 0 GHADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608428971 865327089 /nfs/dbraw/zinc/32/70/89/865327089.db2.gz GQRKYABLUBSKCJ-NHCUHLMSSA-N 2 2 397.567 3.658 20 0 GHADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608428971 865327105 /nfs/dbraw/zinc/32/71/05/865327105.db2.gz GQRKYABLUBSKCJ-NHCUHLMSSA-N 2 2 397.567 3.658 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccnn3-c3ccc(F)cc3)CC2)cc1 ZINC000792994441 881865277 /nfs/dbraw/zinc/86/52/77/881865277.db2.gz FGJKLJAOFCIOGX-UHFFFAOYSA-N 2 2 393.510 3.836 20 0 GHADLP COc1cc2[nH+]c(NC[C@@H](c3cccs3)[NH+]3CCCC3)nc(N)c2cc1OC ZINC000301500037 865393098 /nfs/dbraw/zinc/39/30/98/865393098.db2.gz DGCQRFPVUORTER-HNNXBMFYSA-N 2 2 399.520 3.540 20 0 GHADLP CCCCn1c2ccccc2n(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1=S ZINC000738212290 865503281 /nfs/dbraw/zinc/50/32/81/865503281.db2.gz YSNUKCZLAJGMAM-UHFFFAOYSA-N 2 2 390.597 3.972 20 0 GHADLP NC(=O)c1c[nH+]ccc1NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000302144960 865732023 /nfs/dbraw/zinc/73/20/23/865732023.db2.gz IXEDOEOESTXMFF-UHFFFAOYSA-N 2 2 379.291 3.564 20 0 GHADLP Cc1ccc2cccc(NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c2n1 ZINC000173097014 865766112 /nfs/dbraw/zinc/76/61/12/865766112.db2.gz SUFTZVSYSMPRAC-UHFFFAOYSA-N 2 2 395.551 3.615 20 0 GHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000555246979 865782273 /nfs/dbraw/zinc/78/22/73/865782273.db2.gz AICZJHNRZBVBQA-UHFFFAOYSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000481104225 865831425 /nfs/dbraw/zinc/83/14/25/865831425.db2.gz IHQIPXVEGLHMOX-IBGZPJMESA-N 2 2 378.520 3.638 20 0 GHADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000481104225 865831438 /nfs/dbraw/zinc/83/14/38/865831438.db2.gz IHQIPXVEGLHMOX-IBGZPJMESA-N 2 2 378.520 3.638 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCCc2ccccc21 ZINC000481177387 865930638 /nfs/dbraw/zinc/93/06/38/865930638.db2.gz ZLUAPCFANBLQRM-QTEQDKRBSA-N 2 2 391.559 3.855 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCCc2ccccc21 ZINC000481177387 865930641 /nfs/dbraw/zinc/93/06/41/865930641.db2.gz ZLUAPCFANBLQRM-QTEQDKRBSA-N 2 2 391.559 3.855 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481182373 865942502 /nfs/dbraw/zinc/94/25/02/865942502.db2.gz BKCDFSRQFRWCTM-IRFCIJBXSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481182373 865942513 /nfs/dbraw/zinc/94/25/13/865942513.db2.gz BKCDFSRQFRWCTM-IRFCIJBXSA-N 2 2 395.547 3.831 20 0 GHADLP CC(C)N(C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000481189956 865973974 /nfs/dbraw/zinc/97/39/74/865973974.db2.gz KQRPHHKCSHXGRJ-REWPJTCUSA-N 2 2 379.548 3.928 20 0 GHADLP CC(C)N(C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000481189956 865973985 /nfs/dbraw/zinc/97/39/85/865973985.db2.gz KQRPHHKCSHXGRJ-REWPJTCUSA-N 2 2 379.548 3.928 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000302899366 865981937 /nfs/dbraw/zinc/98/19/37/865981937.db2.gz QDSGYXPPJCVQJP-SFHVURJKSA-N 2 2 389.613 3.511 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000302899366 865981944 /nfs/dbraw/zinc/98/19/44/865981944.db2.gz QDSGYXPPJCVQJP-SFHVURJKSA-N 2 2 389.613 3.511 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000302899366 865981950 /nfs/dbraw/zinc/98/19/50/865981950.db2.gz QDSGYXPPJCVQJP-SFHVURJKSA-N 2 2 389.613 3.511 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000302899366 865981956 /nfs/dbraw/zinc/98/19/56/865981956.db2.gz QDSGYXPPJCVQJP-SFHVURJKSA-N 2 2 389.613 3.511 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C[C@H]1C(F)(F)F ZINC001168528045 866031569 /nfs/dbraw/zinc/03/15/69/866031569.db2.gz KEVDLQRHPSHVET-YCPHGPKFSA-N 2 2 391.478 3.533 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C[C@H]1C(F)(F)F ZINC001168528045 866031585 /nfs/dbraw/zinc/03/15/85/866031585.db2.gz KEVDLQRHPSHVET-YCPHGPKFSA-N 2 2 391.478 3.533 20 0 GHADLP CCC(C)(C)[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000665786224 866294834 /nfs/dbraw/zinc/29/48/34/866294834.db2.gz LCWNRKFHQWGWCA-IHPCNDPISA-N 2 2 380.621 3.790 20 0 GHADLP CCC(C)(C)[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000665786224 866294847 /nfs/dbraw/zinc/29/48/47/866294847.db2.gz LCWNRKFHQWGWCA-IHPCNDPISA-N 2 2 380.621 3.790 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000552879758 866420597 /nfs/dbraw/zinc/42/05/97/866420597.db2.gz DVQOVHNHLBMCRA-WIYYLYMNSA-N 2 2 381.520 3.667 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000552879758 866420602 /nfs/dbraw/zinc/42/06/02/866420602.db2.gz DVQOVHNHLBMCRA-WIYYLYMNSA-N 2 2 381.520 3.667 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CC[NH+](Cc4ccccc4)C3)n2)C1 ZINC000552906331 866472274 /nfs/dbraw/zinc/47/22/74/866472274.db2.gz YMNFEZQJGVFUPI-MJGOQNOKSA-N 2 2 398.576 3.836 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CC[NH+](Cc4ccccc4)C3)n2)C1 ZINC000552906331 866472280 /nfs/dbraw/zinc/47/22/80/866472280.db2.gz YMNFEZQJGVFUPI-MJGOQNOKSA-N 2 2 398.576 3.836 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)n2)C1 ZINC000552906331 866472287 /nfs/dbraw/zinc/47/22/87/866472287.db2.gz YMNFEZQJGVFUPI-MJGOQNOKSA-N 2 2 398.576 3.836 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2)C1 ZINC000552906331 866472289 /nfs/dbraw/zinc/47/22/89/866472289.db2.gz YMNFEZQJGVFUPI-MJGOQNOKSA-N 2 2 398.576 3.836 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)N(C)CCCn2cc[nH+]c2)CCCC1)c1ccccc1 ZINC000152322811 866522686 /nfs/dbraw/zinc/52/26/86/866522686.db2.gz GRMZBBQGAPBAFT-IBGZPJMESA-N 2 2 383.540 3.578 20 0 GHADLP CC(C)[C@H](CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000552970186 866543373 /nfs/dbraw/zinc/54/33/73/866543373.db2.gz NCMRXCCAKNXGOO-SFTDATJTSA-N 2 2 382.552 3.804 20 0 GHADLP Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c(C)c[nH+]1 ZINC000534325603 866568884 /nfs/dbraw/zinc/56/88/84/866568884.db2.gz CKKQGGBHRGABGF-KRWDZBQOSA-N 2 2 392.425 3.535 20 0 GHADLP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c(C)c[nH+]1 ZINC000534325603 866568894 /nfs/dbraw/zinc/56/88/94/866568894.db2.gz CKKQGGBHRGABGF-KRWDZBQOSA-N 2 2 392.425 3.535 20 0 GHADLP Cc1n[nH]cc1[C@H](C)[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000180089852 866750360 /nfs/dbraw/zinc/75/03/60/866750360.db2.gz UBKLTFXDEOCMFI-HNNXBMFYSA-N 2 2 395.473 3.600 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2OC2CCCC2)[C@H](C)C1 ZINC000153882967 867131248 /nfs/dbraw/zinc/13/12/48/867131248.db2.gz OLDMBSGMBAIMGA-NQIIRXRSSA-N 2 2 375.557 3.630 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2OC2CCCC2)[C@H](C)C1 ZINC000153882967 867131262 /nfs/dbraw/zinc/13/12/62/867131262.db2.gz OLDMBSGMBAIMGA-NQIIRXRSSA-N 2 2 375.557 3.630 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000153897524 867140448 /nfs/dbraw/zinc/14/04/48/867140448.db2.gz IENNBZMIEFOIFS-AVRDEDQJSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000153897524 867140467 /nfs/dbraw/zinc/14/04/67/867140467.db2.gz IENNBZMIEFOIFS-AVRDEDQJSA-N 2 2 380.536 3.798 20 0 GHADLP C[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000154356474 867368446 /nfs/dbraw/zinc/36/84/46/867368446.db2.gz DKLLSDJXDARFSY-OAHLLOKOSA-N 2 2 389.341 3.680 20 0 GHADLP C[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000154356474 867368456 /nfs/dbraw/zinc/36/84/56/867368456.db2.gz DKLLSDJXDARFSY-OAHLLOKOSA-N 2 2 389.341 3.680 20 0 GHADLP C[NH+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@@H]1CCC[N@H+](C)C1 ZINC000154356474 867368463 /nfs/dbraw/zinc/36/84/63/867368463.db2.gz DKLLSDJXDARFSY-OAHLLOKOSA-N 2 2 389.341 3.680 20 0 GHADLP C[NH+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000154356474 867368480 /nfs/dbraw/zinc/36/84/80/867368480.db2.gz DKLLSDJXDARFSY-OAHLLOKOSA-N 2 2 389.341 3.680 20 0 GHADLP C[NH+]1CCC(CNC(=O)N2CC3(CCC3)c3ccccc32)([NH+]2CCCCC2)CC1 ZINC000479320871 867561132 /nfs/dbraw/zinc/56/11/32/867561132.db2.gz SWIMWVDAMGLJQI-UHFFFAOYSA-N 2 2 396.579 3.588 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000553547238 867632713 /nfs/dbraw/zinc/63/27/13/867632713.db2.gz MNOLWDKAURBZNY-OAQYLSRUSA-N 2 2 382.552 3.534 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000553547238 867632718 /nfs/dbraw/zinc/63/27/18/867632718.db2.gz MNOLWDKAURBZNY-OAQYLSRUSA-N 2 2 382.552 3.534 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3nc(-c4ccccc4)c[nH]3)cc2)C[C@H](C)O1 ZINC000194232780 882112203 /nfs/dbraw/zinc/11/22/03/882112203.db2.gz XDEKVMHZNGLHNT-KDURUIRLSA-N 2 2 390.531 3.976 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3nc(-c4ccccc4)c[nH]3)cc2)C[C@H](C)O1 ZINC000194232780 882112207 /nfs/dbraw/zinc/11/22/07/882112207.db2.gz XDEKVMHZNGLHNT-KDURUIRLSA-N 2 2 390.531 3.976 20 0 GHADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cnn2c1CCC2 ZINC000667482529 867716623 /nfs/dbraw/zinc/71/66/23/867716623.db2.gz HFXDSRQMOKDJFJ-UHFFFAOYSA-N 2 2 379.508 3.517 20 0 GHADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cnn2c1CCC2 ZINC000667482529 867716632 /nfs/dbraw/zinc/71/66/32/867716632.db2.gz HFXDSRQMOKDJFJ-UHFFFAOYSA-N 2 2 379.508 3.517 20 0 GHADLP CCOc1ccccc1[C@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155181163 867790706 /nfs/dbraw/zinc/79/07/06/867790706.db2.gz OZORLJARGHYKCT-IBGZPJMESA-N 2 2 384.520 3.647 20 0 GHADLP Clc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155181511 867790781 /nfs/dbraw/zinc/79/07/81/867790781.db2.gz FIEQLNHZIONKIA-JOCHJYFZSA-N 2 2 386.923 3.828 20 0 GHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000523735244 867870477 /nfs/dbraw/zinc/87/04/77/867870477.db2.gz CCQXJMWAYGWTIJ-HXUWFJFHSA-N 2 2 392.478 3.540 20 0 GHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000523735244 867870490 /nfs/dbraw/zinc/87/04/90/867870490.db2.gz CCQXJMWAYGWTIJ-HXUWFJFHSA-N 2 2 392.478 3.540 20 0 GHADLP C[C@@H]1CC[N@@H+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000535051558 868041169 /nfs/dbraw/zinc/04/11/69/868041169.db2.gz INDSYBAUKONZGX-WTIAFYNJSA-N 2 2 388.515 3.824 20 0 GHADLP C[C@@H]1CC[N@H+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000535051558 868041185 /nfs/dbraw/zinc/04/11/85/868041185.db2.gz INDSYBAUKONZGX-WTIAFYNJSA-N 2 2 388.515 3.824 20 0 GHADLP CCCC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C(=O)Nc1cc(C)on1 ZINC000523853488 868102896 /nfs/dbraw/zinc/10/28/96/868102896.db2.gz OXFQBAZLDRCECV-WIYYLYMNSA-N 2 2 398.551 3.717 20 0 GHADLP CN(C(=O)c1ccc2c(c1)CCCC2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096371 868159708 /nfs/dbraw/zinc/15/97/08/868159708.db2.gz NTCLWTIVBMHHRD-BJKOFHAPSA-N 2 2 397.607 3.975 20 0 GHADLP CN(C(=O)c1ccc2c(c1)CCCC2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096371 868159715 /nfs/dbraw/zinc/15/97/15/868159715.db2.gz NTCLWTIVBMHHRD-BJKOFHAPSA-N 2 2 397.607 3.975 20 0 GHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157101148 868556308 /nfs/dbraw/zinc/55/63/08/868556308.db2.gz ARNNLJGYJFXLLJ-GMAHTHKFSA-N 2 2 399.579 3.699 20 0 GHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157101148 868556318 /nfs/dbraw/zinc/55/63/18/868556318.db2.gz ARNNLJGYJFXLLJ-GMAHTHKFSA-N 2 2 399.579 3.699 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000157423568 868651271 /nfs/dbraw/zinc/65/12/71/868651271.db2.gz BNAXMFFWZOJHNW-UHFFFAOYSA-N 2 2 377.273 3.967 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000157423568 868651277 /nfs/dbraw/zinc/65/12/77/868651277.db2.gz BNAXMFFWZOJHNW-UHFFFAOYSA-N 2 2 377.273 3.967 20 0 GHADLP O=C1[C@H](CCc2ccccc2)CCN1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000793510357 882231320 /nfs/dbraw/zinc/23/13/20/882231320.db2.gz AUCHUAYANJQJKJ-HSZRJFAPSA-N 2 2 394.563 3.814 20 0 GHADLP C[C@@H](NC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccc2c(c1)CCCC2 ZINC000535572761 869025342 /nfs/dbraw/zinc/02/53/42/869025342.db2.gz BNYZLKZQHKLAFD-GOSISDBHSA-N 2 2 392.547 3.714 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)Cc1ccccc1 ZINC000524554163 869261980 /nfs/dbraw/zinc/26/19/80/869261980.db2.gz MQDJUYWDMBYHOG-JOCHJYFZSA-N 2 2 376.504 3.555 20 0 GHADLP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000793599109 882303466 /nfs/dbraw/zinc/30/34/66/882303466.db2.gz FLLDKDQKYPUDFT-KRWDZBQOSA-N 2 2 390.572 3.614 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C2)CC1 ZINC000524750612 869493316 /nfs/dbraw/zinc/49/33/16/869493316.db2.gz YNSKDRPBWMXUAK-FQEVSTJZSA-N 2 2 388.943 3.595 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C2)CC1 ZINC000524750612 869493318 /nfs/dbraw/zinc/49/33/18/869493318.db2.gz YNSKDRPBWMXUAK-FQEVSTJZSA-N 2 2 388.943 3.595 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CCOCC1)c1ccccc1 ZINC000121912065 882308752 /nfs/dbraw/zinc/30/87/52/882308752.db2.gz GCFJYSJAMJHQPT-UVUJQTEASA-N 2 2 384.564 3.824 20 0 GHADLP Cc1cccc(C)c1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539707489 869633029 /nfs/dbraw/zinc/63/30/29/869633029.db2.gz CQADBMJFGLWUIQ-XZOQPEGZSA-N 2 2 385.596 3.642 20 0 GHADLP Cc1cccc(C)c1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539707489 869633032 /nfs/dbraw/zinc/63/30/32/869633032.db2.gz CQADBMJFGLWUIQ-XZOQPEGZSA-N 2 2 385.596 3.642 20 0 GHADLP CCCOc1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1OC ZINC000428437323 869678071 /nfs/dbraw/zinc/67/80/71/869678071.db2.gz HXBOWNCSGPPZNW-XMMPIXPASA-N 2 2 398.547 3.553 20 0 GHADLP CCCOc1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1OC ZINC000428437323 869678073 /nfs/dbraw/zinc/67/80/73/869678073.db2.gz HXBOWNCSGPPZNW-XMMPIXPASA-N 2 2 398.547 3.553 20 0 GHADLP CCCOc1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000428437323 869678076 /nfs/dbraw/zinc/67/80/76/869678076.db2.gz HXBOWNCSGPPZNW-XMMPIXPASA-N 2 2 398.547 3.553 20 0 GHADLP CCCOc1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000428437323 869678083 /nfs/dbraw/zinc/67/80/83/869678083.db2.gz HXBOWNCSGPPZNW-XMMPIXPASA-N 2 2 398.547 3.553 20 0 GHADLP C[NH+](C)CCOc1ccc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)cc1 ZINC000761639331 882357195 /nfs/dbraw/zinc/35/71/95/882357195.db2.gz VSIMDDMEHDKFLV-UHFFFAOYSA-N 2 2 375.432 3.530 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)c2c(F)cccc2Cl)CC1 ZINC000462784030 870062666 /nfs/dbraw/zinc/06/26/66/870062666.db2.gz AIDLFRPUKXUVME-UHFFFAOYSA-N 2 2 384.923 3.764 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000462787516 870081346 /nfs/dbraw/zinc/08/13/46/870081346.db2.gz KOTXFNCIWJXPJA-KRWDZBQOSA-N 2 2 382.957 3.884 20 0 GHADLP Cc1cc(C)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C=O ZINC000793725441 882378334 /nfs/dbraw/zinc/37/83/34/882378334.db2.gz GQRWYOMWKFSDNB-XZOQPEGZSA-N 2 2 399.579 3.525 20 0 GHADLP Cc1cc(C)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C=O ZINC000793725441 882378348 /nfs/dbraw/zinc/37/83/48/882378348.db2.gz GQRWYOMWKFSDNB-XZOQPEGZSA-N 2 2 399.579 3.525 20 0 GHADLP COc1cccc2c(NCc3ccc(C[NH+]4CCC(O)CC4)cc3)cc[nH+]c12 ZINC000189347718 870296508 /nfs/dbraw/zinc/29/65/08/870296508.db2.gz DAKYPZULSAIPSX-UHFFFAOYSA-N 2 2 377.488 3.812 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+]3CC[C@@H](C(C)(C)C)C3)n2)CC1 ZINC001192482554 870455807 /nfs/dbraw/zinc/45/58/07/870455807.db2.gz YCZZFTXPULHNRB-MRXNPFEDSA-N 2 2 378.586 3.682 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+]3CC[C@@H](C(C)(C)C)C3)n2)CC1 ZINC001192482554 870455816 /nfs/dbraw/zinc/45/58/16/870455816.db2.gz YCZZFTXPULHNRB-MRXNPFEDSA-N 2 2 378.586 3.682 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-n3cncn3)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000538732332 870465869 /nfs/dbraw/zinc/46/58/69/870465869.db2.gz CPRLEMGOAZCLND-WIYYLYMNSA-N 2 2 393.510 3.891 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-n3cncn3)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000538732332 870465876 /nfs/dbraw/zinc/46/58/76/870465876.db2.gz CPRLEMGOAZCLND-WIYYLYMNSA-N 2 2 393.510 3.891 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-n3cncn3)c(F)c2)CC[NH+]1Cc1ccccc1 ZINC000538732332 870465883 /nfs/dbraw/zinc/46/58/83/870465883.db2.gz CPRLEMGOAZCLND-WIYYLYMNSA-N 2 2 393.510 3.891 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3cncn3)c(F)c2)CC[NH+]1Cc1ccccc1 ZINC000538732332 870465893 /nfs/dbraw/zinc/46/58/93/870465893.db2.gz CPRLEMGOAZCLND-WIYYLYMNSA-N 2 2 393.510 3.891 20 0 GHADLP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(OCCC)c1 ZINC000538795308 870622667 /nfs/dbraw/zinc/62/26/67/870622667.db2.gz UKXIJLRFTBYORS-IEIRFRATSA-N 2 2 390.568 3.948 20 0 GHADLP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(OCCC)c1 ZINC000538795308 870622671 /nfs/dbraw/zinc/62/26/71/870622671.db2.gz UKXIJLRFTBYORS-IEIRFRATSA-N 2 2 390.568 3.948 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@](CO)(Cc4ccccc4)C3)sc2C1 ZINC000463037849 870717482 /nfs/dbraw/zinc/71/74/82/870717482.db2.gz OODZVIGFKORTIG-QHCPKHFHSA-N 2 2 399.604 3.727 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@](CO)(Cc4ccccc4)C3)sc2C1 ZINC000463037849 870717490 /nfs/dbraw/zinc/71/74/90/870717490.db2.gz OODZVIGFKORTIG-QHCPKHFHSA-N 2 2 399.604 3.727 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@](CO)(Cc4ccccc4)C3)sc2C1 ZINC000463037849 870717503 /nfs/dbraw/zinc/71/75/03/870717503.db2.gz OODZVIGFKORTIG-QHCPKHFHSA-N 2 2 399.604 3.727 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@](CO)(Cc4ccccc4)C3)sc2C1 ZINC000463037849 870717518 /nfs/dbraw/zinc/71/75/18/870717518.db2.gz OODZVIGFKORTIG-QHCPKHFHSA-N 2 2 399.604 3.727 20 0 GHADLP C[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000463070475 870825701 /nfs/dbraw/zinc/82/57/01/870825701.db2.gz SRUJQLBPFZQOIX-NRFANRHFSA-N 2 2 377.576 3.730 20 0 GHADLP C[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000463070475 870825709 /nfs/dbraw/zinc/82/57/09/870825709.db2.gz SRUJQLBPFZQOIX-NRFANRHFSA-N 2 2 377.576 3.730 20 0 GHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(F)cc3Cl)CC2)C[C@H](C)O1 ZINC000540244802 870845563 /nfs/dbraw/zinc/84/55/63/870845563.db2.gz HMGHYYBKRGQGJD-HOTGVXAUSA-N 2 2 384.923 3.569 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463115552 870916740 /nfs/dbraw/zinc/91/67/40/870916740.db2.gz LOPPSFJPMWLVKO-PXNSSMCTSA-N 2 2 384.520 3.855 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463115552 870916750 /nfs/dbraw/zinc/91/67/50/870916750.db2.gz LOPPSFJPMWLVKO-PXNSSMCTSA-N 2 2 384.520 3.855 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000463104220 870929908 /nfs/dbraw/zinc/92/99/08/870929908.db2.gz YBFIICOPZRAYIQ-SFHVURJKSA-N 2 2 383.561 3.863 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000540302228 870945919 /nfs/dbraw/zinc/94/59/19/870945919.db2.gz MXRLWYLWQFCSSD-NHCUHLMSSA-N 2 2 375.532 3.589 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000540302228 870945931 /nfs/dbraw/zinc/94/59/31/870945931.db2.gz MXRLWYLWQFCSSD-NHCUHLMSSA-N 2 2 375.532 3.589 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000508584303 870962613 /nfs/dbraw/zinc/96/26/13/870962613.db2.gz XBMJYDUEJZRIOK-IFMALSPDSA-N 2 2 394.563 3.525 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cncn1Cc1cccc(C(F)(F)F)c1)C2 ZINC001169118729 871208498 /nfs/dbraw/zinc/20/84/98/871208498.db2.gz MEWDXIYYIKGWDK-BCDXTJNWSA-N 2 2 378.442 3.665 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cncn1Cc1cccc(C(F)(F)F)c1)C2 ZINC001169118729 871208514 /nfs/dbraw/zinc/20/85/14/871208514.db2.gz MEWDXIYYIKGWDK-BCDXTJNWSA-N 2 2 378.442 3.665 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(F)c1 ZINC001193662918 871222041 /nfs/dbraw/zinc/22/20/41/871222041.db2.gz QGHUNKMHBVOFEN-FOIQADDNSA-N 2 2 389.902 3.918 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(F)c1 ZINC001193662918 871222061 /nfs/dbraw/zinc/22/20/61/871222061.db2.gz QGHUNKMHBVOFEN-FOIQADDNSA-N 2 2 389.902 3.918 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]C(C)(c2ccccc2)c2ccccc2)CC1 ZINC000463246578 871258888 /nfs/dbraw/zinc/25/88/88/871258888.db2.gz JTXSPPXAZWQSCG-UHFFFAOYSA-N 2 2 380.532 3.957 20 0 GHADLP CC[NH+]1CCC([NH+]2CCC(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC001169258417 871354958 /nfs/dbraw/zinc/35/49/58/871354958.db2.gz KWKSYTOJVSVBFN-UHFFFAOYSA-N 2 2 379.342 3.828 20 0 GHADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000461984569 871375846 /nfs/dbraw/zinc/37/58/46/871375846.db2.gz LVIAJAIBOOWBRX-QFIPXVFZSA-N 2 2 395.572 3.757 20 0 GHADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000461984569 871375856 /nfs/dbraw/zinc/37/58/56/871375856.db2.gz LVIAJAIBOOWBRX-QFIPXVFZSA-N 2 2 395.572 3.757 20 0 GHADLP CC[C@H](C[N@@H+](CC)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC001169483879 871534047 /nfs/dbraw/zinc/53/40/47/871534047.db2.gz YEBUMWQRHMULHY-LEWJYISDSA-N 2 2 394.563 3.634 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000539222580 871537684 /nfs/dbraw/zinc/53/76/84/871537684.db2.gz WIJTZHFOFMQUQQ-SFHVURJKSA-N 2 2 395.334 3.876 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000539222580 871537689 /nfs/dbraw/zinc/53/76/89/871537689.db2.gz WIJTZHFOFMQUQQ-SFHVURJKSA-N 2 2 395.334 3.876 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C2 ZINC000525997792 871841015 /nfs/dbraw/zinc/84/10/15/871841015.db2.gz NCHBDCKMKSJKBC-WOJBJXKFSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C2 ZINC000525997792 871841031 /nfs/dbraw/zinc/84/10/31/871841031.db2.gz NCHBDCKMKSJKBC-WOJBJXKFSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)CC2 ZINC000525997792 871841049 /nfs/dbraw/zinc/84/10/49/871841049.db2.gz NCHBDCKMKSJKBC-WOJBJXKFSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)CC2 ZINC000525997792 871841067 /nfs/dbraw/zinc/84/10/67/871841067.db2.gz NCHBDCKMKSJKBC-WOJBJXKFSA-N 2 2 394.563 3.809 20 0 GHADLP Cc1ccc(N2CCC[C@H]([NH+]3CCC(Oc4cc[nH+]cc4C)CC3)C2=O)cc1 ZINC001169781107 871870769 /nfs/dbraw/zinc/87/07/69/871870769.db2.gz SDJHZOMMRJNDLX-NRFANRHFSA-N 2 2 379.504 3.737 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000429722882 872013964 /nfs/dbraw/zinc/01/39/64/872013964.db2.gz ZZRKJPVFBTUGAE-SFHVURJKSA-N 2 2 379.504 3.601 20 0 GHADLP C[C@H](NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C(C)(C)C[NH+](C)C ZINC000463699463 872364238 /nfs/dbraw/zinc/36/42/38/872364238.db2.gz QKICQBNAXIKOHK-INIZCTEOSA-N 2 2 383.540 3.984 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H]3[NH+](C)CCCC3(C)C)n2)C1 ZINC000447893436 872491274 /nfs/dbraw/zinc/49/12/74/872491274.db2.gz MPRSPNAVBFHLMP-DOTOQJQBSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H]3[NH+](C)CCCC3(C)C)n2)C1 ZINC000447893436 872491282 /nfs/dbraw/zinc/49/12/82/872491282.db2.gz MPRSPNAVBFHLMP-DOTOQJQBSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)n2)C1 ZINC000447893436 872491287 /nfs/dbraw/zinc/49/12/87/872491287.db2.gz MPRSPNAVBFHLMP-DOTOQJQBSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)n2)C1 ZINC000447893436 872491295 /nfs/dbraw/zinc/49/12/95/872491295.db2.gz MPRSPNAVBFHLMP-DOTOQJQBSA-N 2 2 393.601 3.617 20 0 GHADLP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ncc(C(C)(C)C)s3)cc2)CC1 ZINC000447943438 872541348 /nfs/dbraw/zinc/54/13/48/872541348.db2.gz PHQIGCUARJCOLR-UHFFFAOYSA-N 2 2 386.609 3.868 20 0 GHADLP C[NH+]1CCN(c2ccc([NH2+]C3CCC4(CC3)c3ccccc3NC4=O)cc2)CC1 ZINC000182628838 872620448 /nfs/dbraw/zinc/62/04/48/872620448.db2.gz LFINONAASPQDEH-UHFFFAOYSA-N 2 2 390.531 3.683 20 0 GHADLP [NH3+][C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc(Cl)c1 ZINC000163860318 872630180 /nfs/dbraw/zinc/63/01/80/872630180.db2.gz QDLUMWZWLCWUMZ-IBGZPJMESA-N 2 2 392.330 3.774 20 0 GHADLP Cc1cc(Br)ccc1NC(=O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000552549819 872822897 /nfs/dbraw/zinc/82/28/97/872822897.db2.gz AKVMVVBFQUFEHX-UHFFFAOYSA-N 2 2 382.346 3.549 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)c3ccccc3)C1)C2 ZINC000527235920 872850280 /nfs/dbraw/zinc/85/02/80/872850280.db2.gz UCTAQPBEYDPWNI-QRQLOZEOSA-N 2 2 380.536 3.590 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@H+]([C@H](C)c3ccccc3)C1)C2 ZINC000527235920 872850289 /nfs/dbraw/zinc/85/02/89/872850289.db2.gz UCTAQPBEYDPWNI-QRQLOZEOSA-N 2 2 380.536 3.590 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)c3ccccc3)C1)CC2 ZINC000527235920 872850305 /nfs/dbraw/zinc/85/03/05/872850305.db2.gz UCTAQPBEYDPWNI-QRQLOZEOSA-N 2 2 380.536 3.590 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@H+]([C@H](C)c3ccccc3)C1)CC2 ZINC000527235920 872850311 /nfs/dbraw/zinc/85/03/11/872850311.db2.gz UCTAQPBEYDPWNI-QRQLOZEOSA-N 2 2 380.536 3.590 20 0 GHADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC001196727962 873324185 /nfs/dbraw/zinc/32/41/85/873324185.db2.gz PMEQHOSRXCIISH-UHFFFAOYSA-N 2 2 382.552 3.840 20 0 GHADLP Brc1sccc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000527640288 873389877 /nfs/dbraw/zinc/38/98/77/873389877.db2.gz HHHUALPFLIIYPI-UHFFFAOYSA-N 2 2 381.339 3.633 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C[C@H]3CCC[N@H+](Cc4ccccc4)C3)cs2)cn1 ZINC000527648554 873400382 /nfs/dbraw/zinc/40/03/82/873400382.db2.gz HNAPBIKCHBSULI-GOSISDBHSA-N 2 2 381.549 3.545 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cs2)cn1 ZINC000527648554 873400392 /nfs/dbraw/zinc/40/03/92/873400392.db2.gz HNAPBIKCHBSULI-GOSISDBHSA-N 2 2 381.549 3.545 20 0 GHADLP COCOc1ccc(OC)cc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000769148778 873847198 /nfs/dbraw/zinc/84/71/98/873847198.db2.gz RXMTUGLONFTUIR-MOPGFXCFSA-N 2 2 376.541 3.764 20 0 GHADLP COCOc1ccc(OC)cc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000769148778 873847211 /nfs/dbraw/zinc/84/72/11/873847211.db2.gz RXMTUGLONFTUIR-MOPGFXCFSA-N 2 2 376.541 3.764 20 0 GHADLP COCOc1ccc(OC)cc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000769148778 873847224 /nfs/dbraw/zinc/84/72/24/873847224.db2.gz RXMTUGLONFTUIR-MOPGFXCFSA-N 2 2 376.541 3.764 20 0 GHADLP COCOc1ccc(OC)cc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000769148778 873847234 /nfs/dbraw/zinc/84/72/34/873847234.db2.gz RXMTUGLONFTUIR-MOPGFXCFSA-N 2 2 376.541 3.764 20 0 GHADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000769424506 874046213 /nfs/dbraw/zinc/04/62/13/874046213.db2.gz GBVLNHYRKCAAPZ-UHFFFAOYSA-N 2 2 386.511 3.683 20 0 GHADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000769424506 874046231 /nfs/dbraw/zinc/04/62/31/874046231.db2.gz GBVLNHYRKCAAPZ-UHFFFAOYSA-N 2 2 386.511 3.683 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nc(Cc2c[nH+]cn2C)no1 ZINC000528160322 874113623 /nfs/dbraw/zinc/11/36/23/874113623.db2.gz PIUWLIPTDRRCNG-UYAOXDASSA-N 2 2 379.508 3.656 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nc(Cc2c[nH+]cn2C)no1 ZINC000528160322 874113634 /nfs/dbraw/zinc/11/36/34/874113634.db2.gz PIUWLIPTDRRCNG-UYAOXDASSA-N 2 2 379.508 3.656 20 0 GHADLP Cc1cc2c(ncnc2NC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)s1 ZINC001198007565 874158822 /nfs/dbraw/zinc/15/88/22/874158822.db2.gz MIJOFFWHSSKNOG-UHFFFAOYSA-N 2 2 397.548 3.636 20 0 GHADLP Cc1cc2c(ncnc2NC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)s1 ZINC001198007565 874158830 /nfs/dbraw/zinc/15/88/30/874158830.db2.gz MIJOFFWHSSKNOG-UHFFFAOYSA-N 2 2 397.548 3.636 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccc(C(=O)C3CC3)cc2)cc1 ZINC001198030682 874188137 /nfs/dbraw/zinc/18/81/37/874188137.db2.gz NTACQMFHJGUSBO-UHFFFAOYSA-N 2 2 393.531 3.915 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccc(C(=O)C3CC3)cc2)cc1 ZINC001198030682 874188143 /nfs/dbraw/zinc/18/81/43/874188143.db2.gz NTACQMFHJGUSBO-UHFFFAOYSA-N 2 2 393.531 3.915 20 0 GHADLP COc1ccccc1[C@@H](C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)N(C)C ZINC000449061522 874398503 /nfs/dbraw/zinc/39/85/03/874398503.db2.gz GMHYNSQCFZXVGP-GBXCKJPGSA-N 2 2 395.591 3.983 20 0 GHADLP COc1ccccc1[C@@H](CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)[NH+](C)C ZINC000449061522 874398510 /nfs/dbraw/zinc/39/85/10/874398510.db2.gz GMHYNSQCFZXVGP-GBXCKJPGSA-N 2 2 395.591 3.983 20 0 GHADLP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cccc2[nH+]ccn21 ZINC000770416890 874658486 /nfs/dbraw/zinc/65/84/86/874658486.db2.gz IUFAKCQNSALRJH-UHFFFAOYSA-N 2 2 382.895 3.630 20 0 GHADLP COc1cccc2c1CCC[C@H]([NH2+]CCC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC001199220259 874857983 /nfs/dbraw/zinc/85/79/83/874857983.db2.gz WONGTZIRZMZSKD-QFIPXVFZSA-N 2 2 393.575 3.745 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cn(-c4ccc(F)cc4)nn3)cc2)C1 ZINC001199266972 874882105 /nfs/dbraw/zinc/88/21/05/874882105.db2.gz LPWMIPQCYZECPF-SFHVURJKSA-N 2 2 393.510 3.928 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cn(-c4ccc(F)cc4)nn3)cc2)C1 ZINC001199266972 874882113 /nfs/dbraw/zinc/88/21/13/874882113.db2.gz LPWMIPQCYZECPF-SFHVURJKSA-N 2 2 393.510 3.928 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(CNC2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000449471696 874902245 /nfs/dbraw/zinc/90/22/45/874902245.db2.gz DFQYIZDRGNXUKV-UHFFFAOYSA-N 2 2 378.564 3.690 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(CNC2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000449471696 874902258 /nfs/dbraw/zinc/90/22/58/874902258.db2.gz DFQYIZDRGNXUKV-UHFFFAOYSA-N 2 2 378.564 3.690 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cc(Cl)nc3ccccc23)CC1 ZINC000771309043 875176774 /nfs/dbraw/zinc/17/67/74/875176774.db2.gz FMWRKZGIXFUWIM-HDICACEKSA-N 2 2 386.971 3.879 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cc(Cl)nc3ccccc23)CC1 ZINC000771309043 875176778 /nfs/dbraw/zinc/17/67/78/875176778.db2.gz FMWRKZGIXFUWIM-HDICACEKSA-N 2 2 386.971 3.879 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cc(Cl)nc3ccccc23)CC1 ZINC000771309049 875176807 /nfs/dbraw/zinc/17/68/07/875176807.db2.gz FMWRKZGIXFUWIM-QZTJIDSGSA-N 2 2 386.971 3.879 20 0 GHADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000528890229 875223929 /nfs/dbraw/zinc/22/39/29/875223929.db2.gz AUYYXYBDPRALHS-MISYRCLQSA-N 2 2 375.557 3.569 20 0 GHADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000528890229 875223938 /nfs/dbraw/zinc/22/39/38/875223938.db2.gz AUYYXYBDPRALHS-MISYRCLQSA-N 2 2 375.557 3.569 20 0 GHADLP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)cc2)C1 ZINC000465197344 875306415 /nfs/dbraw/zinc/30/64/15/875306415.db2.gz YKINQMDQHDWLHL-SFHVURJKSA-N 2 2 390.487 3.845 20 0 GHADLP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)cc2)C1 ZINC000465197344 875306432 /nfs/dbraw/zinc/30/64/32/875306432.db2.gz YKINQMDQHDWLHL-SFHVURJKSA-N 2 2 390.487 3.845 20 0 GHADLP C[NH+]1C(C)(C)CC(Nc2nc[nH+]c3cc(N4CCOCC4)ccc32)CC1(C)C ZINC001170454578 882936014 /nfs/dbraw/zinc/93/60/14/882936014.db2.gz YIZMZZZFZGDFRY-UHFFFAOYSA-N 2 2 383.540 3.530 20 0 GHADLP CC[C@@H]1[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCN1C(=O)OC(C)(C)C ZINC000858253121 882979336 /nfs/dbraw/zinc/97/93/36/882979336.db2.gz GGXIEZFJEXVTBT-DLBZAZTESA-N 2 2 376.526 3.811 20 0 GHADLP COCC[C@@H](C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)NC(=O)OC(C)(C)C ZINC001202151742 876049287 /nfs/dbraw/zinc/04/92/87/876049287.db2.gz XWPISRXHNOKFLW-IBGZPJMESA-N 2 2 397.604 3.552 20 0 GHADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1sc(Sc2ccccc2)nc1Cl ZINC000106484476 876071639 /nfs/dbraw/zinc/07/16/39/876071639.db2.gz QJMZDIHAOWWNAT-AWEZNQCLSA-N 2 2 397.013 3.673 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529552922 876318686 /nfs/dbraw/zinc/31/86/86/876318686.db2.gz CQYJHVXHYQOVMK-ZDUSSCGKSA-N 2 2 383.359 3.817 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529552922 876318699 /nfs/dbraw/zinc/31/86/99/876318699.db2.gz CQYJHVXHYQOVMK-ZDUSSCGKSA-N 2 2 383.359 3.817 20 0 GHADLP C[C@H](c1cnn(C)c1)[N@H+](C)Cc1ccc(F)c(C[NH+](C)[C@@H](C)c2cnn(C)c2)c1 ZINC000450699607 876791984 /nfs/dbraw/zinc/79/19/84/876791984.db2.gz KNIQHAHCKCFSHM-SJORKVTESA-N 2 2 398.530 3.679 20 0 GHADLP C[C@H](c1cnn(C)c1)[N@@H+](C)Cc1ccc(F)c(C[NH+](C)[C@@H](C)c2cnn(C)c2)c1 ZINC000450699607 876791987 /nfs/dbraw/zinc/79/19/87/876791987.db2.gz KNIQHAHCKCFSHM-SJORKVTESA-N 2 2 398.530 3.679 20 0 GHADLP C[C@H](c1cnn(C)c1)[NH+](C)Cc1ccc(F)c(C[N@H+](C)[C@@H](C)c2cnn(C)c2)c1 ZINC000450699607 876791996 /nfs/dbraw/zinc/79/19/96/876791996.db2.gz KNIQHAHCKCFSHM-SJORKVTESA-N 2 2 398.530 3.679 20 0 GHADLP C[C@H](c1cnn(C)c1)[NH+](C)Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)c2cnn(C)c2)c1 ZINC000450699607 876791998 /nfs/dbraw/zinc/79/19/98/876791998.db2.gz KNIQHAHCKCFSHM-SJORKVTESA-N 2 2 398.530 3.679 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@@H](CC(C)(C)C)CC1=O ZINC000787227356 877282828 /nfs/dbraw/zinc/28/28/28/877282828.db2.gz FUJWTJDLNTXFAS-HXUWFJFHSA-N 2 2 386.584 3.862 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@@H](CC(C)(C)C)CC1=O ZINC000787227356 877282840 /nfs/dbraw/zinc/28/28/40/877282840.db2.gz FUJWTJDLNTXFAS-HXUWFJFHSA-N 2 2 386.584 3.862 20 0 GHADLP C[NH+](C)C1CCC2(CC1)CCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)CC2 ZINC000615446259 877744541 /nfs/dbraw/zinc/74/45/41/877744541.db2.gz LLMTYPVHRXEKDF-UHFFFAOYSA-N 2 2 394.563 3.587 20 0 GHADLP Cc1ccc([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000615463776 877777915 /nfs/dbraw/zinc/77/79/15/877777915.db2.gz NGNJMJSDXBROQR-HXUWFJFHSA-N 2 2 395.547 3.767 20 0 GHADLP Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000615463776 877777924 /nfs/dbraw/zinc/77/79/24/877777924.db2.gz NGNJMJSDXBROQR-HXUWFJFHSA-N 2 2 395.547 3.767 20 0 GHADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000285397740 912275463 /nfs/dbraw/zinc/27/54/63/912275463.db2.gz IBHNMFMYLBRYFA-RYUDHWBXSA-N 2 2 388.821 3.951 20 0 GHADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245461131 877927211 /nfs/dbraw/zinc/92/72/11/877927211.db2.gz WEJDWGQFNBBZFS-QYZOEREBSA-N 2 2 375.582 3.608 20 0 GHADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245461131 877927228 /nfs/dbraw/zinc/92/72/28/877927228.db2.gz WEJDWGQFNBBZFS-QYZOEREBSA-N 2 2 375.582 3.608 20 0 GHADLP O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000788251918 877956891 /nfs/dbraw/zinc/95/68/91/877956891.db2.gz ZGZKEOPZZYWJPJ-DYESRHJHSA-N 2 2 384.568 3.838 20 0 GHADLP O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000788251918 877956896 /nfs/dbraw/zinc/95/68/96/877956896.db2.gz ZGZKEOPZZYWJPJ-DYESRHJHSA-N 2 2 384.568 3.838 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@H]1c1ccccc1 ZINC000530519763 877972186 /nfs/dbraw/zinc/97/21/86/877972186.db2.gz BFIGYCRUJUEVDS-RTBURBONSA-N 2 2 399.564 3.696 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@H]1c1ccccc1 ZINC000530519763 877972192 /nfs/dbraw/zinc/97/21/92/877972192.db2.gz BFIGYCRUJUEVDS-RTBURBONSA-N 2 2 399.564 3.696 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NCC[C@@H]3CCc4ccc5c(c43)CCO5)c2)C1 ZINC001170084979 878082835 /nfs/dbraw/zinc/08/28/35/878082835.db2.gz CSQWXBLDHXUOEK-VQTJNVASSA-N 2 2 377.532 3.687 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NCC[C@@H]3CCc4ccc5c(c43)CCO5)c2)C1 ZINC001170084979 878082849 /nfs/dbraw/zinc/08/28/49/878082849.db2.gz CSQWXBLDHXUOEK-VQTJNVASSA-N 2 2 377.532 3.687 20 0 GHADLP O[C@H](C[NH+]1CCC([NH2+]Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000852115187 878082958 /nfs/dbraw/zinc/08/29/58/878082958.db2.gz MUFMWKPFUCGWLQ-HXUWFJFHSA-N 2 2 378.438 3.993 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000451525628 878089588 /nfs/dbraw/zinc/08/95/88/878089588.db2.gz GKODTEALKLUIKB-XMSQKQJNSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000451525628 878089604 /nfs/dbraw/zinc/08/96/04/878089604.db2.gz GKODTEALKLUIKB-XMSQKQJNSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000451525628 878089624 /nfs/dbraw/zinc/08/96/24/878089624.db2.gz GKODTEALKLUIKB-XMSQKQJNSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000451525628 878089636 /nfs/dbraw/zinc/08/96/36/878089636.db2.gz GKODTEALKLUIKB-XMSQKQJNSA-N 2 2 389.971 3.594 20 0 GHADLP CN(C(=O)c1ccc(Cl)cc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245619195 878221938 /nfs/dbraw/zinc/22/19/38/878221938.db2.gz AJPWUOCZABEYKS-VQTJNVASSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1ccc(Cl)cc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245619195 878221956 /nfs/dbraw/zinc/22/19/56/878221956.db2.gz AJPWUOCZABEYKS-VQTJNVASSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)CCCc1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245620760 878222948 /nfs/dbraw/zinc/22/29/48/878222948.db2.gz AXVMJBINCBFNEZ-DHIUTWEWSA-N 2 2 385.596 3.805 20 0 GHADLP CN(C(=O)CCCc1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245620760 878222965 /nfs/dbraw/zinc/22/29/65/878222965.db2.gz AXVMJBINCBFNEZ-DHIUTWEWSA-N 2 2 385.596 3.805 20 0 GHADLP CC[N@H+](CCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1)CC1CC1 ZINC000537818932 878338457 /nfs/dbraw/zinc/33/84/57/878338457.db2.gz WHBJCOKSVULFFN-UHFFFAOYSA-N 2 2 380.536 3.847 20 0 GHADLP CC[N@@H+](CCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1)CC1CC1 ZINC000537818932 878338475 /nfs/dbraw/zinc/33/84/75/878338475.db2.gz WHBJCOKSVULFFN-UHFFFAOYSA-N 2 2 380.536 3.847 20 0 GHADLP CN(C(=O)c1cc(Cl)ccc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245721720 878469484 /nfs/dbraw/zinc/46/94/84/878469484.db2.gz PUDSRAFSZZEFLW-VQTJNVASSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1cc(Cl)ccc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245721720 878469494 /nfs/dbraw/zinc/46/94/94/878469494.db2.gz PUDSRAFSZZEFLW-VQTJNVASSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1ccccc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245726470 878478015 /nfs/dbraw/zinc/47/80/15/878478015.db2.gz QYVHANPGWPBFAI-WOJBJXKFSA-N 2 2 377.960 3.749 20 0 GHADLP CN(C(=O)c1ccccc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245726470 878478022 /nfs/dbraw/zinc/47/80/22/878478022.db2.gz QYVHANPGWPBFAI-WOJBJXKFSA-N 2 2 377.960 3.749 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccccc1 ZINC000245741201 878515478 /nfs/dbraw/zinc/51/54/78/878515478.db2.gz ROOBTWUFIUUCTB-CWKRKGSWSA-N 2 2 375.516 3.577 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccccc1 ZINC000245741201 878515493 /nfs/dbraw/zinc/51/54/93/878515493.db2.gz ROOBTWUFIUUCTB-CWKRKGSWSA-N 2 2 375.516 3.577 20 0 GHADLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2c(-c3ccccc3)nc3sccn23)CCO1 ZINC000852760599 878584881 /nfs/dbraw/zinc/58/48/81/878584881.db2.gz JFSFOEABZGILKH-SFHVURJKSA-N 2 2 384.549 3.605 20 0 GHADLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2c(-c3ccccc3)nc3sccn23)CCO1 ZINC000852760599 878584892 /nfs/dbraw/zinc/58/48/92/878584892.db2.gz JFSFOEABZGILKH-SFHVURJKSA-N 2 2 384.549 3.605 20 0 GHADLP c1ccc(CC2([NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)CCOCC2)cc1 ZINC000451945670 878750422 /nfs/dbraw/zinc/75/04/22/878750422.db2.gz VNVSEUWVQQSMMV-UHFFFAOYSA-N 2 2 393.575 3.580 20 0 GHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3nc(C(C)(C)C)cs3)CC2)C[C@H](C)O1 ZINC000538045338 878755083 /nfs/dbraw/zinc/75/50/83/878755083.db2.gz QCOMUVOQYXEHLB-IRXDYDNUSA-N 2 2 395.613 3.531 20 0 GHADLP C[C@H](c1c(F)cccc1F)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538046108 878757612 /nfs/dbraw/zinc/75/76/12/878757612.db2.gz WIXQAQPCMXPWMU-IXDOHACOSA-N 2 2 382.495 3.616 20 0 GHADLP C[C@H](c1c(F)cccc1F)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538046108 878757629 /nfs/dbraw/zinc/75/76/29/878757629.db2.gz WIXQAQPCMXPWMU-IXDOHACOSA-N 2 2 382.495 3.616 20 0 GHADLP Ic1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853093908 878809553 /nfs/dbraw/zinc/80/95/53/878809553.db2.gz UEJFUVMWDDVVOU-OAHLLOKOSA-N 2 2 384.305 3.503 20 0 GHADLP Ic1ccccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853093908 878809541 /nfs/dbraw/zinc/80/95/41/878809541.db2.gz UEJFUVMWDDVVOU-OAHLLOKOSA-N 2 2 384.305 3.503 20 0 GHADLP CN(C(=O)CC[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)c1ccccc1 ZINC000853108945 878817488 /nfs/dbraw/zinc/81/74/88/878817488.db2.gz KEHIDAWUWVVDAQ-UHFFFAOYSA-N 2 2 380.536 3.682 20 0 GHADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000616475858 878870344 /nfs/dbraw/zinc/87/03/44/878870344.db2.gz BGPYWSIITLXIMX-RTBURBONSA-N 2 2 384.549 3.740 20 0 GHADLP CCOC(=O)c1cnc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)s1 ZINC000853362779 878986014 /nfs/dbraw/zinc/98/60/14/878986014.db2.gz YDIQZARQFDTQLN-UHFFFAOYSA-N 2 2 388.537 3.841 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000122510588 879037457 /nfs/dbraw/zinc/03/74/57/879037457.db2.gz GBGKSSJMJAAJLP-MBSDFSHPSA-N 2 2 392.547 3.820 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000122510588 879037469 /nfs/dbraw/zinc/03/74/69/879037469.db2.gz GBGKSSJMJAAJLP-MBSDFSHPSA-N 2 2 392.547 3.820 20 0 GHADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000111383578 879080032 /nfs/dbraw/zinc/08/00/32/879080032.db2.gz AZMITGMGVYNALL-CQSZACIVSA-N 2 2 377.330 3.661 20 0 GHADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000111383578 879080051 /nfs/dbraw/zinc/08/00/51/879080051.db2.gz AZMITGMGVYNALL-CQSZACIVSA-N 2 2 377.330 3.661 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246170867 879098695 /nfs/dbraw/zinc/09/86/95/879098695.db2.gz JBGSVYSJUHEXQE-ZCNNSNEGSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246170867 879098706 /nfs/dbraw/zinc/09/87/06/879098706.db2.gz JBGSVYSJUHEXQE-ZCNNSNEGSA-N 2 2 379.548 3.823 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc(N2CCCCCC2)cc1 ZINC000772747935 879455208 /nfs/dbraw/zinc/45/52/08/879455208.db2.gz YBPCNFZOZQHGEW-NRFANRHFSA-N 2 2 381.524 3.539 20 0 GHADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc(N2CCCCCC2)cc1 ZINC000772747935 879455217 /nfs/dbraw/zinc/45/52/17/879455217.db2.gz YBPCNFZOZQHGEW-NRFANRHFSA-N 2 2 381.524 3.539 20 0 GHADLP CCCCc1noc([C@H](C)[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000246459407 879582031 /nfs/dbraw/zinc/58/20/31/879582031.db2.gz VUSHWBAAUOYXQP-BZSNNMDCSA-N 2 2 378.561 3.685 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000184745352 879867105 /nfs/dbraw/zinc/86/71/05/879867105.db2.gz BGKYNVIDUXLOCZ-HOTGVXAUSA-N 2 2 387.474 3.650 20 0 GHADLP CC[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000247065058 879906432 /nfs/dbraw/zinc/90/64/32/879906432.db2.gz ZYZSHTCAGNUSFO-QMMLZNLJSA-N 2 2 389.971 3.856 20 0 GHADLP CC[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000247065058 879906440 /nfs/dbraw/zinc/90/64/40/879906440.db2.gz ZYZSHTCAGNUSFO-QMMLZNLJSA-N 2 2 389.971 3.856 20 0 GHADLP CC[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000247065058 879906450 /nfs/dbraw/zinc/90/64/50/879906450.db2.gz ZYZSHTCAGNUSFO-QMMLZNLJSA-N 2 2 389.971 3.856 20 0 GHADLP CC[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000247065058 879906453 /nfs/dbraw/zinc/90/64/53/879906453.db2.gz ZYZSHTCAGNUSFO-QMMLZNLJSA-N 2 2 389.971 3.856 20 0 GHADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)CC3 ZINC000123097352 879928824 /nfs/dbraw/zinc/92/88/24/879928824.db2.gz OISXGRNGNMJIHP-QGZVFWFLSA-N 2 2 376.504 3.687 20 0 GHADLP Cc1nc2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)cc2s1 ZINC000494135042 879939835 /nfs/dbraw/zinc/93/98/35/879939835.db2.gz GRMHJBXVFMKBPH-WOJBJXKFSA-N 2 2 381.545 3.577 20 0 GHADLP Cc1nc2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)cc2s1 ZINC000494135042 879939847 /nfs/dbraw/zinc/93/98/47/879939847.db2.gz GRMHJBXVFMKBPH-WOJBJXKFSA-N 2 2 381.545 3.577 20 0 GHADLP C[C@H](O)[C@@](C)(C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)Cc1ccccc1 ZINC000790726274 879964712 /nfs/dbraw/zinc/96/47/12/879964712.db2.gz QDRTVODVDSQZPE-NBGIEHNGSA-N 2 2 395.591 3.941 20 0 GHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247550690 880023175 /nfs/dbraw/zinc/02/31/75/880023175.db2.gz PXCNINNMMDYMBR-TZIWHRDSSA-N 2 2 397.538 3.799 20 0 GHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247550690 880023192 /nfs/dbraw/zinc/02/31/92/880023192.db2.gz PXCNINNMMDYMBR-TZIWHRDSSA-N 2 2 397.538 3.799 20 0 GHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247550690 880023214 /nfs/dbraw/zinc/02/32/14/880023214.db2.gz PXCNINNMMDYMBR-TZIWHRDSSA-N 2 2 397.538 3.799 20 0 GHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247550690 880023233 /nfs/dbraw/zinc/02/32/33/880023233.db2.gz PXCNINNMMDYMBR-TZIWHRDSSA-N 2 2 397.538 3.799 20 0 GHADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000183821336 880159886 /nfs/dbraw/zinc/15/98/86/880159886.db2.gz LYRROODLRVQNAU-MSOLQXFVSA-N 2 2 376.541 3.596 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000531685168 880316609 /nfs/dbraw/zinc/31/66/09/880316609.db2.gz MERDWKODIQJGAV-RYUDHWBXSA-N 2 2 388.821 3.951 20 0 GHADLP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1nc(C(C)(C)C)cs1 ZINC000184687199 880364026 /nfs/dbraw/zinc/36/40/26/880364026.db2.gz WIKQJUXBWNYOIG-NVXWUHKLSA-N 2 2 388.581 3.510 20 0 GHADLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CCOCC1 ZINC000531719588 880375018 /nfs/dbraw/zinc/37/50/18/880375018.db2.gz KQXKDLPZHHITND-NRFANRHFSA-N 2 2 379.976 3.647 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ncc(-c2ccccc2)n1C ZINC000453074464 880396642 /nfs/dbraw/zinc/39/66/42/880396642.db2.gz GUNHCYPNICJCCU-IBGZPJMESA-N 2 2 390.531 3.770 20 0 GHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1ccccc1Cl)c1ccsc1 ZINC000453111626 880481588 /nfs/dbraw/zinc/48/15/88/880481588.db2.gz PDPUOIPUHFSRPQ-RBUKOAKNSA-N 2 2 391.968 3.615 20 0 GHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1ccccc1Cl)c1ccsc1 ZINC000453111626 880481592 /nfs/dbraw/zinc/48/15/92/880481592.db2.gz PDPUOIPUHFSRPQ-RBUKOAKNSA-N 2 2 391.968 3.615 20 0 GHADLP CCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000531891673 880692676 /nfs/dbraw/zinc/69/26/76/880692676.db2.gz CHNWXEAECIBPGY-RXVVDRJESA-N 2 2 391.519 3.701 20 0 GHADLP CCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000531891673 880692681 /nfs/dbraw/zinc/69/26/81/880692681.db2.gz CHNWXEAECIBPGY-RXVVDRJESA-N 2 2 391.519 3.701 20 0 GHADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453330097 880764186 /nfs/dbraw/zinc/76/41/86/880764186.db2.gz RVJKRLNAGQGMRV-UUOWRZLLSA-N 2 2 395.547 3.975 20 0 GHADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453324452 880795352 /nfs/dbraw/zinc/79/53/52/880795352.db2.gz LGQPRZULUVSOKH-FCHUYYIVSA-N 2 2 387.568 3.793 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453372138 880856209 /nfs/dbraw/zinc/85/62/09/880856209.db2.gz OACOIPVFACVLOY-LLUDDFSJSA-N 2 2 379.508 3.917 20 0 GHADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000532016321 880930057 /nfs/dbraw/zinc/93/00/57/880930057.db2.gz SVQPOLIOEXMZFD-RTBURBONSA-N 2 2 376.447 3.692 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000429529376 880972553 /nfs/dbraw/zinc/97/25/53/880972553.db2.gz RGVWKAUXYBWRHG-GOTSBHOMSA-N 2 2 397.538 3.642 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000429529376 880972560 /nfs/dbraw/zinc/97/25/60/880972560.db2.gz RGVWKAUXYBWRHG-GOTSBHOMSA-N 2 2 397.538 3.642 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000429529378 880972838 /nfs/dbraw/zinc/97/28/38/880972838.db2.gz RGVWKAUXYBWRHG-XZOQPEGZSA-N 2 2 397.538 3.642 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000429529378 880972852 /nfs/dbraw/zinc/97/28/52/880972852.db2.gz RGVWKAUXYBWRHG-XZOQPEGZSA-N 2 2 397.538 3.642 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000792295818 881031019 /nfs/dbraw/zinc/03/10/19/881031019.db2.gz BUSWSNSFSCZXEE-UHFFFAOYSA-N 2 2 383.883 3.668 20 0 GHADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@@H]2C[C@@H]3CCC[C@H]3O2)o1 ZINC001170196099 881231340 /nfs/dbraw/zinc/23/13/40/881231340.db2.gz YCOUGJDDZKTSSS-BHYGNILZSA-N 2 2 394.313 3.698 20 0 GHADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@@H]2C[C@@H]3CCC[C@H]3O2)o1 ZINC001170196099 881231350 /nfs/dbraw/zinc/23/13/50/881231350.db2.gz YCOUGJDDZKTSSS-BHYGNILZSA-N 2 2 394.313 3.698 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C2 ZINC000476803860 883160844 /nfs/dbraw/zinc/16/08/44/883160844.db2.gz ZYFWSOUGVOPYTC-DENIHFKCSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C2 ZINC000476803860 883160848 /nfs/dbraw/zinc/16/08/48/883160848.db2.gz ZYFWSOUGVOPYTC-DENIHFKCSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)CC2 ZINC000476803860 883160853 /nfs/dbraw/zinc/16/08/53/883160853.db2.gz ZYFWSOUGVOPYTC-DENIHFKCSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)CC2 ZINC000476803860 883160860 /nfs/dbraw/zinc/16/08/60/883160860.db2.gz ZYFWSOUGVOPYTC-DENIHFKCSA-N 2 2 394.563 3.665 20 0 GHADLP Fc1cccc(OC(F)(F)F)c1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000551208050 883484172 /nfs/dbraw/zinc/48/41/72/883484172.db2.gz YMSYXQPCIGRPGU-UHFFFAOYSA-N 2 2 398.400 3.846 20 0 GHADLP CC[C@@H]1C[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170492022 884204423 /nfs/dbraw/zinc/20/44/23/884204423.db2.gz LQLVALXSZKYZPC-BCDXTJNWSA-N 2 2 376.545 3.698 20 0 GHADLP CC[C@@H]1C[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170492022 884204440 /nfs/dbraw/zinc/20/44/40/884204440.db2.gz LQLVALXSZKYZPC-BCDXTJNWSA-N 2 2 376.545 3.698 20 0 GHADLP O=C(OCCCn1cc[nH+]c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000859962478 884216909 /nfs/dbraw/zinc/21/69/09/884216909.db2.gz SYNZWLAYKPQSGC-WOJBJXKFSA-N 2 2 395.528 3.794 20 0 GHADLP O=C(OCCCn1cc[nH+]c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000859962478 884216925 /nfs/dbraw/zinc/21/69/25/884216925.db2.gz SYNZWLAYKPQSGC-WOJBJXKFSA-N 2 2 395.528 3.794 20 0 GHADLP O[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1 ZINC000806173704 884395935 /nfs/dbraw/zinc/39/59/35/884395935.db2.gz ZRAOVIMQHADVGX-OAHLLOKOSA-N 2 2 384.364 3.745 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cc2c(Br)cnn2C)CC1)CC1CC1 ZINC000495030578 884407257 /nfs/dbraw/zinc/40/72/57/884407257.db2.gz QDNFSOOFKWEEGL-UHFFFAOYSA-N 2 2 383.378 3.517 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cc2c(Br)cnn2C)CC1)CC1CC1 ZINC000495030578 884407267 /nfs/dbraw/zinc/40/72/67/884407267.db2.gz QDNFSOOFKWEEGL-UHFFFAOYSA-N 2 2 383.378 3.517 20 0 GHADLP COc1ccc2c(c1)[C@@H](Nc1ccc(N3CCC([NH+](C)C)CC3)c[nH+]1)CCCO2 ZINC000537486107 884569223 /nfs/dbraw/zinc/56/92/23/884569223.db2.gz FMCYSMTVRMKLPW-NRFANRHFSA-N 2 2 396.535 3.946 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000550661779 885786629 /nfs/dbraw/zinc/78/66/29/885786629.db2.gz IBVGWLYGFOQWOM-JTHBVZDNSA-N 2 2 383.511 3.587 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000550661779 885786640 /nfs/dbraw/zinc/78/66/40/885786640.db2.gz IBVGWLYGFOQWOM-JTHBVZDNSA-N 2 2 383.511 3.587 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498843568 885914396 /nfs/dbraw/zinc/91/43/96/885914396.db2.gz KGZPJWAAEHKSMQ-PZJWPPBQSA-N 2 2 389.559 3.617 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498843568 885914410 /nfs/dbraw/zinc/91/44/10/885914410.db2.gz KGZPJWAAEHKSMQ-PZJWPPBQSA-N 2 2 389.559 3.617 20 0 GHADLP CN1CCO[C@H]([C@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccc(Cl)cc2)C1 ZINC000131371488 885990836 /nfs/dbraw/zinc/99/08/36/885990836.db2.gz BSPREDMWZVNDKE-PZJWPPBQSA-N 2 2 388.943 3.589 20 0 GHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC(=O)N(Cc3ccccc3)C3CC3)C2)CC1 ZINC000498880219 886011442 /nfs/dbraw/zinc/01/14/42/886011442.db2.gz KTOAFZOFIXNNRP-JOCHJYFZSA-N 2 2 383.580 3.622 20 0 GHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC(=O)N(Cc3ccccc3)C3CC3)C2)CC1 ZINC000498880219 886011448 /nfs/dbraw/zinc/01/14/48/886011448.db2.gz KTOAFZOFIXNNRP-JOCHJYFZSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001168235417 886341113 /nfs/dbraw/zinc/34/11/13/886341113.db2.gz VAAJQRCRBYEKMY-DRSNIGMVSA-N 2 2 383.511 3.552 20 0 GHADLP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001168235417 886341123 /nfs/dbraw/zinc/34/11/23/886341123.db2.gz VAAJQRCRBYEKMY-DRSNIGMVSA-N 2 2 383.511 3.552 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cnn(-c2ccccc2)c1 ZINC000777256801 886351520 /nfs/dbraw/zinc/35/15/20/886351520.db2.gz RZIYMYPMVPOXCN-UWJYYQICSA-N 2 2 376.508 3.581 20 0 GHADLP Cn1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000119328611 886451225 /nfs/dbraw/zinc/45/12/25/886451225.db2.gz QCLXZZPEKAPIEE-UHFFFAOYSA-N 2 2 375.520 3.579 20 0 GHADLP Cn1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000119328611 886451239 /nfs/dbraw/zinc/45/12/39/886451239.db2.gz QCLXZZPEKAPIEE-UHFFFAOYSA-N 2 2 375.520 3.579 20 0 GHADLP Cc1ccc([C@@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C2CC2)cc1 ZINC000465504826 886839372 /nfs/dbraw/zinc/83/93/72/886839372.db2.gz ZOOSIJNNAIRGDO-JOCHJYFZSA-N 2 2 398.595 3.696 20 0 GHADLP [NH3+][C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000238010995 887012483 /nfs/dbraw/zinc/01/24/83/887012483.db2.gz DLWRJDSPBZEWSE-IBGZPJMESA-N 2 2 392.330 3.774 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1nc(C(F)(F)F)cs1 ZINC000467633611 887072092 /nfs/dbraw/zinc/07/20/92/887072092.db2.gz PXJHKFUVKQXYOU-XJKSGUPXSA-N 2 2 399.482 3.969 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1nc(C(F)(F)F)cs1 ZINC000467633611 887072103 /nfs/dbraw/zinc/07/21/03/887072103.db2.gz PXJHKFUVKQXYOU-XJKSGUPXSA-N 2 2 399.482 3.969 20 0 GHADLP C[C@H]([NH3+])c1ccc(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000666678780 887292358 /nfs/dbraw/zinc/29/23/58/887292358.db2.gz XIAWKDSFUYNOKX-CABCVRRESA-N 2 2 387.553 3.716 20 0 GHADLP C[C@H]([NH3+])c1ccc(CNC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000666678780 887292378 /nfs/dbraw/zinc/29/23/78/887292378.db2.gz XIAWKDSFUYNOKX-CABCVRRESA-N 2 2 387.553 3.716 20 0 GHADLP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000496069806 887460669 /nfs/dbraw/zinc/46/06/69/887460669.db2.gz IQQLHTDNGJDHOC-SFHVURJKSA-N 2 2 394.523 3.526 20 0 GHADLP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000496069806 887460679 /nfs/dbraw/zinc/46/06/79/887460679.db2.gz IQQLHTDNGJDHOC-SFHVURJKSA-N 2 2 394.523 3.526 20 0 GHADLP Clc1nc2cc(Cl)ccn2c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000809557176 887571876 /nfs/dbraw/zinc/57/18/76/887571876.db2.gz NPAZMMJYHMGNCD-UHFFFAOYSA-N 2 2 397.350 3.575 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000809793275 887847585 /nfs/dbraw/zinc/84/75/85/887847585.db2.gz BISYKKWZYOHCEE-RTBURBONSA-N 2 2 391.462 3.778 20 0 GHADLP C[C@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000287229082 913200438 /nfs/dbraw/zinc/20/04/38/913200438.db2.gz GOEBRJRJYPQGLL-ROUUACIJSA-N 2 2 378.476 3.533 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cnc(Cl)c(F)c3)CC2)cc1 ZINC000865590960 888462838 /nfs/dbraw/zinc/46/28/38/888462838.db2.gz XUWVJXSREGCFJX-UHFFFAOYSA-N 2 2 390.890 3.587 20 0 GHADLP Cc1ccc(N2CCC(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)CC2)[nH+]c1 ZINC000194055226 888553209 /nfs/dbraw/zinc/55/32/09/888553209.db2.gz JLCMLRYJZFXLAW-JOCHJYFZSA-N 2 2 392.547 3.560 20 0 GHADLP Cc1cccn2cc(CC(=O)NCC[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000532794955 889005153 /nfs/dbraw/zinc/00/51/53/889005153.db2.gz DNPGVLUZQHQJLV-FPOVZHCZSA-N 2 2 390.531 3.602 20 0 GHADLP Cc1cccn2cc(CC(=O)NCC[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000532794955 889005169 /nfs/dbraw/zinc/00/51/69/889005169.db2.gz DNPGVLUZQHQJLV-FPOVZHCZSA-N 2 2 390.531 3.602 20 0 GHADLP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000245589686 889027801 /nfs/dbraw/zinc/02/78/01/889027801.db2.gz KUGKMQDMQUUTJF-SVFBPWRDSA-N 2 2 383.536 3.605 20 0 GHADLP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000245589686 889027820 /nfs/dbraw/zinc/02/78/20/889027820.db2.gz KUGKMQDMQUUTJF-SVFBPWRDSA-N 2 2 383.536 3.605 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000533067265 889624225 /nfs/dbraw/zinc/62/42/25/889624225.db2.gz NPNGDVQFCPONIX-NQIIRXRSSA-N 2 2 388.515 3.883 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000533067265 889624235 /nfs/dbraw/zinc/62/42/35/889624235.db2.gz NPNGDVQFCPONIX-NQIIRXRSSA-N 2 2 388.515 3.883 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000122346178 889659424 /nfs/dbraw/zinc/65/94/24/889659424.db2.gz XVXRNGNVIIWCHV-SOKVYYICSA-N 2 2 385.577 3.810 20 0 GHADLP Cc1ccc2cc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)[nH]c2c1 ZINC000124729114 889739709 /nfs/dbraw/zinc/73/97/09/889739709.db2.gz VEKXNDWUVCQIAB-DHIUTWEWSA-N 2 2 396.579 3.886 20 0 GHADLP Cc1ccc2cc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)[nH]c2c1 ZINC000124729114 889739716 /nfs/dbraw/zinc/73/97/16/889739716.db2.gz VEKXNDWUVCQIAB-DHIUTWEWSA-N 2 2 396.579 3.886 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)cs1 ZINC001170664354 890397329 /nfs/dbraw/zinc/39/73/29/890397329.db2.gz JAGRCWRUSZDVFJ-OAHLLOKOSA-N 2 2 397.560 3.863 20 0 GHADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000455187351 890488563 /nfs/dbraw/zinc/48/85/63/890488563.db2.gz IXAGZKHLJKVPBV-NRFANRHFSA-N 2 2 389.588 3.595 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C[C@H](c2cccc(Cl)c2)CC1=O ZINC000812286897 890502826 /nfs/dbraw/zinc/50/28/26/890502826.db2.gz GXUIRWXEQOZZNC-GOSISDBHSA-N 2 2 388.943 3.785 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C[C@H](c2cccc(Cl)c2)CC1=O ZINC000812286897 890502831 /nfs/dbraw/zinc/50/28/31/890502831.db2.gz GXUIRWXEQOZZNC-GOSISDBHSA-N 2 2 388.943 3.785 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C2CC2)cc1 ZINC000533426088 890530495 /nfs/dbraw/zinc/53/04/95/890530495.db2.gz VWOGXWDRSPZTED-OAQYLSRUSA-N 2 2 383.580 3.719 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C2CC2)cc1 ZINC000533426088 890530510 /nfs/dbraw/zinc/53/05/10/890530510.db2.gz VWOGXWDRSPZTED-OAQYLSRUSA-N 2 2 383.580 3.719 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)c(C)c1 ZINC000533534719 890826442 /nfs/dbraw/zinc/82/64/42/890826442.db2.gz SSJARZZNRYZTKM-NHCUHLMSSA-N 2 2 392.478 3.775 20 0 GHADLP C[NH+](C)Cc1ccc(-c2noc([C@@H]([NH3+])c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000871783906 891009589 /nfs/dbraw/zinc/00/95/89/891009589.db2.gz KDLZXAUNRWXFBY-INIZCTEOSA-N 2 2 376.382 3.865 20 0 GHADLP CN(C(=O)N[C@H]1CCCC1(C)C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533673976 891112612 /nfs/dbraw/zinc/11/26/12/891112612.db2.gz FYSGWVAIYXYUDA-AQNXPRMDSA-N 2 2 378.605 3.544 20 0 GHADLP CN(C(=O)N[C@H]1CCCC1(C)C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533673976 891112621 /nfs/dbraw/zinc/11/26/21/891112621.db2.gz FYSGWVAIYXYUDA-AQNXPRMDSA-N 2 2 378.605 3.544 20 0 GHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ncc(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000246819096 891311068 /nfs/dbraw/zinc/31/10/68/891311068.db2.gz UGRKUJJBVUMTTB-VQIMIIECSA-N 2 2 388.943 3.768 20 0 GHADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ncc(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000246819096 891311085 /nfs/dbraw/zinc/31/10/85/891311085.db2.gz UGRKUJJBVUMTTB-VQIMIIECSA-N 2 2 388.943 3.768 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000497473098 891652253 /nfs/dbraw/zinc/65/22/53/891652253.db2.gz WHWNVGGPIHSJBT-HBMCJLEFSA-N 2 2 387.474 3.519 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000497473098 891652260 /nfs/dbraw/zinc/65/22/60/891652260.db2.gz WHWNVGGPIHSJBT-HBMCJLEFSA-N 2 2 387.474 3.519 20 0 GHADLP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000497473098 891652265 /nfs/dbraw/zinc/65/22/65/891652265.db2.gz WHWNVGGPIHSJBT-HBMCJLEFSA-N 2 2 387.474 3.519 20 0 GHADLP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000497473098 891652272 /nfs/dbraw/zinc/65/22/72/891652272.db2.gz WHWNVGGPIHSJBT-HBMCJLEFSA-N 2 2 387.474 3.519 20 0 GHADLP CCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124699177 891850413 /nfs/dbraw/zinc/85/04/13/891850413.db2.gz NRIHDGWXHIYSDK-RBUKOAKNSA-N 2 2 377.598 3.720 20 0 GHADLP CCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124699177 891850419 /nfs/dbraw/zinc/85/04/19/891850419.db2.gz NRIHDGWXHIYSDK-RBUKOAKNSA-N 2 2 377.598 3.720 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc(F)cc(F)c1 ZINC000162031033 892020778 /nfs/dbraw/zinc/02/07/78/892020778.db2.gz FXKQHHRRGNHNTB-INIZCTEOSA-N 2 2 376.447 3.527 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(Nc3ccnc(-c4cccc(Cl)c4)n3)CC2)CC1 ZINC001185129522 913684888 /nfs/dbraw/zinc/68/48/88/913684888.db2.gz XYDITYAZDKVMHQ-UHFFFAOYSA-N 2 2 385.943 3.768 20 0 GHADLP C[NH+](C)C1(C)CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000876111012 892972342 /nfs/dbraw/zinc/97/23/42/892972342.db2.gz UUCCVLYVCQETKD-QKWOESADSA-N 2 2 395.551 3.674 20 0 GHADLP CC(C)(C)OC(=O)NC(C)(C)c1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)on1 ZINC000876619988 893259932 /nfs/dbraw/zinc/25/99/32/893259932.db2.gz IBPWAVUAPMXJLO-CQSZACIVSA-N 2 2 389.500 3.537 20 0 GHADLP CC(C)(C)OC(=O)NC(C)(C)c1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)on1 ZINC000876619988 893259940 /nfs/dbraw/zinc/25/99/40/893259940.db2.gz IBPWAVUAPMXJLO-CQSZACIVSA-N 2 2 389.500 3.537 20 0 GHADLP CC(C)(C)OC(=O)NC(C)(C)c1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)on1 ZINC000876742331 893308188 /nfs/dbraw/zinc/30/81/88/893308188.db2.gz XIEZERALTMVODF-UHFFFAOYSA-N 2 2 389.500 3.537 20 0 GHADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC000877019938 893437984 /nfs/dbraw/zinc/43/79/84/893437984.db2.gz IFHHUXYASPLHSI-MRXNPFEDSA-N 2 2 394.560 3.644 20 0 GHADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC000877019938 893437992 /nfs/dbraw/zinc/43/79/92/893437992.db2.gz IFHHUXYASPLHSI-MRXNPFEDSA-N 2 2 394.560 3.644 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2c(F)cc(F)cc2F)CC1 ZINC000815151720 893484691 /nfs/dbraw/zinc/48/46/91/893484691.db2.gz CAVKTPMZUBGIFB-UHFFFAOYSA-N 2 2 377.454 3.926 20 0 GHADLP CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459464774 893578514 /nfs/dbraw/zinc/57/85/14/893578514.db2.gz MQHDIBFHGNPFOP-OAQYLSRUSA-N 2 2 381.520 3.593 20 0 GHADLP CSc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)[NH+](C)C)cc1 ZINC000563670658 894050305 /nfs/dbraw/zinc/05/03/05/894050305.db2.gz UQCDAOJILBLEEK-YSZBQJHXSA-N 2 2 398.620 3.906 20 0 GHADLP CSc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)[NH+](C)C)cc1 ZINC000563670658 894050322 /nfs/dbraw/zinc/05/03/22/894050322.db2.gz UQCDAOJILBLEEK-YSZBQJHXSA-N 2 2 398.620 3.906 20 0 GHADLP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000645412475 913884215 /nfs/dbraw/zinc/88/42/15/913884215.db2.gz SAVBQDVLWAZIRN-NMVJMZGASA-N 2 2 392.591 3.622 20 0 GHADLP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000645412475 913884228 /nfs/dbraw/zinc/88/42/28/913884228.db2.gz SAVBQDVLWAZIRN-NMVJMZGASA-N 2 2 392.591 3.622 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000564123749 894622175 /nfs/dbraw/zinc/62/21/75/894622175.db2.gz LMBKLEAFLWTYIT-HSZRJFAPSA-N 2 2 379.479 3.747 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000564123749 894622181 /nfs/dbraw/zinc/62/21/81/894622181.db2.gz LMBKLEAFLWTYIT-HSZRJFAPSA-N 2 2 379.479 3.747 20 0 GHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2OCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000564579254 895095361 /nfs/dbraw/zinc/09/53/61/895095361.db2.gz MXJSKAWOEDOHCT-MSOLQXFVSA-N 2 2 379.426 3.948 20 0 GHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2OCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000564579254 895095377 /nfs/dbraw/zinc/09/53/77/895095377.db2.gz MXJSKAWOEDOHCT-MSOLQXFVSA-N 2 2 379.426 3.948 20 0 GHADLP C[C@@H](c1cccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000565180158 895445345 /nfs/dbraw/zinc/44/53/45/895445345.db2.gz IRLCXAMVPGYSMH-UGKGYDQZSA-N 2 2 393.531 3.540 20 0 GHADLP C[C@@H](c1cccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000565180158 895445352 /nfs/dbraw/zinc/44/53/52/895445352.db2.gz IRLCXAMVPGYSMH-UGKGYDQZSA-N 2 2 393.531 3.540 20 0 GHADLP Cc1nccnc1[C@H](C)[NH2+]CC(C[NH2+][C@@H](C)c1nccnc1C)c1ccccc1 ZINC000880109441 895522069 /nfs/dbraw/zinc/52/20/69/895522069.db2.gz AXPMUSFWLYNRJG-OALUTQOASA-N 2 2 390.535 3.669 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569126 895753329 /nfs/dbraw/zinc/75/33/29/895753329.db2.gz ITRLPXZIZZFQBC-UWJYYQICSA-N 2 2 380.467 3.573 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000817955033 895976700 /nfs/dbraw/zinc/97/67/00/895976700.db2.gz PBFKCISYPHOIDR-UTKZUKDTSA-N 2 2 379.504 3.521 20 0 GHADLP CCC1([NH+]2CCCCC2)CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000881625506 896398878 /nfs/dbraw/zinc/39/88/78/896398878.db2.gz ROILDICWQNIHIS-UHFFFAOYSA-N 2 2 380.536 3.802 20 0 GHADLP CCC1([NH+]2CCCCC2)CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000881628024 896401646 /nfs/dbraw/zinc/40/16/46/896401646.db2.gz HOLUXJJTOJOSLA-UHFFFAOYSA-N 2 2 394.563 3.731 20 0 GHADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ccc1F ZINC000826261914 896748373 /nfs/dbraw/zinc/74/83/73/896748373.db2.gz XYFPSUIVBXWDSQ-INIZCTEOSA-N 2 2 394.498 3.629 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000567432205 897147624 /nfs/dbraw/zinc/14/76/24/897147624.db2.gz JRTODCWIXVZLOW-UHFFFAOYSA-N 2 2 389.503 3.854 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000567432205 897147635 /nfs/dbraw/zinc/14/76/35/897147635.db2.gz JRTODCWIXVZLOW-UHFFFAOYSA-N 2 2 389.503 3.854 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2cccc3c2CCOC3)CCOCC1)c1ccccc1 ZINC000883015910 897207463 /nfs/dbraw/zinc/20/74/63/897207463.db2.gz ICHJYJODKCLQPW-LJQANCHMSA-N 2 2 380.532 3.749 20 0 GHADLP Brc1ccsc1CC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000883288841 897452575 /nfs/dbraw/zinc/45/25/75/897452575.db2.gz SYWZUGQRBFMVLG-UHFFFAOYSA-N 2 2 380.355 3.702 20 0 GHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000883386318 897548417 /nfs/dbraw/zinc/54/84/17/897548417.db2.gz DGUHEJZWVSZOBY-DNVCBOLYSA-N 2 2 387.480 3.518 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000883386365 897548430 /nfs/dbraw/zinc/54/84/30/897548430.db2.gz DUDFBJZUAYNFRI-LAUBAEHRSA-N 2 2 398.532 3.737 20 0 GHADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cncc(Br)c1 ZINC000568108718 897599184 /nfs/dbraw/zinc/59/91/84/897599184.db2.gz KVUBMYKXEXGOBS-HNNXBMFYSA-N 2 2 385.309 3.982 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000568409606 897816636 /nfs/dbraw/zinc/81/66/36/897816636.db2.gz MXFVOYDQGUDUGC-LPHOPBHVSA-N 2 2 397.485 3.546 20 0 GHADLP C[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000568409606 897816638 /nfs/dbraw/zinc/81/66/38/897816638.db2.gz MXFVOYDQGUDUGC-LPHOPBHVSA-N 2 2 397.485 3.546 20 0 GHADLP COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282881309 898517890 /nfs/dbraw/zinc/51/78/90/898517890.db2.gz YOWLHAIWFBCNPR-INIZCTEOSA-N 2 2 385.508 3.625 20 0 GHADLP COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282881309 898517900 /nfs/dbraw/zinc/51/79/00/898517900.db2.gz YOWLHAIWFBCNPR-INIZCTEOSA-N 2 2 385.508 3.625 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1-c1noc([C@H]2Cc3ccccc3C[NH2+]2)n1 ZINC000822920574 898722883 /nfs/dbraw/zinc/72/28/83/898722883.db2.gz ZPWPLTXJAFHMEC-HXUWFJFHSA-N 2 2 392.503 3.844 20 0 GHADLP CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000569666887 898866236 /nfs/dbraw/zinc/86/62/36/898866236.db2.gz BBJBEYLJHSHPGS-GOSISDBHSA-N 2 2 394.563 3.839 20 0 GHADLP CC(C)[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1nnc2ccccn21 ZINC000155595804 898925938 /nfs/dbraw/zinc/92/59/38/898925938.db2.gz ZPZRSXXHGIAYQY-QFIPXVFZSA-N 2 2 392.551 3.751 20 0 GHADLP CC[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[N@H+](C)Cc1ccccc1 ZINC000646189795 914311770 /nfs/dbraw/zinc/31/17/70/914311770.db2.gz BRTVHKRUNNINKQ-ACRUOGEOSA-N 2 2 380.536 3.832 20 0 GHADLP CC[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000646189795 914311790 /nfs/dbraw/zinc/31/17/90/914311790.db2.gz BRTVHKRUNNINKQ-ACRUOGEOSA-N 2 2 380.536 3.832 20 0 GHADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001136731965 899085314 /nfs/dbraw/zinc/08/53/14/899085314.db2.gz LGDFKQBXKWYNBW-LJQANCHMSA-N 2 2 398.378 3.947 20 0 GHADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001136731965 899085324 /nfs/dbraw/zinc/08/53/24/899085324.db2.gz LGDFKQBXKWYNBW-LJQANCHMSA-N 2 2 398.378 3.947 20 0 GHADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001136753140 899142890 /nfs/dbraw/zinc/14/28/90/899142890.db2.gz KILJLRAUSQQDMG-MJGOQNOKSA-N 2 2 395.950 3.682 20 0 GHADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001136753140 899142899 /nfs/dbraw/zinc/14/28/99/899142899.db2.gz KILJLRAUSQQDMG-MJGOQNOKSA-N 2 2 395.950 3.682 20 0 GHADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001136753140 899142914 /nfs/dbraw/zinc/14/29/14/899142914.db2.gz KILJLRAUSQQDMG-MJGOQNOKSA-N 2 2 395.950 3.682 20 0 GHADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001136753140 899142927 /nfs/dbraw/zinc/14/29/27/899142927.db2.gz KILJLRAUSQQDMG-MJGOQNOKSA-N 2 2 395.950 3.682 20 0 GHADLP C[N@@H+]1CCC[C@H](C[NH2+]C[C@](C)(O)C(F)(F)F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000570836095 899628790 /nfs/dbraw/zinc/62/87/90/899628790.db2.gz COFXFUFDESWALN-KBMXLJTQSA-N 2 2 398.391 3.991 20 0 GHADLP C[N@H+]1CCC[C@H](C[NH2+]C[C@](C)(O)C(F)(F)F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000570836095 899628792 /nfs/dbraw/zinc/62/87/92/899628792.db2.gz COFXFUFDESWALN-KBMXLJTQSA-N 2 2 398.391 3.991 20 0 GHADLP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000570836096 899628919 /nfs/dbraw/zinc/62/89/19/899628919.db2.gz COFXFUFDESWALN-VNQPRFMTSA-N 2 2 398.391 3.991 20 0 GHADLP C[N@H+]1CCC[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000570836096 899628923 /nfs/dbraw/zinc/62/89/23/899628923.db2.gz COFXFUFDESWALN-VNQPRFMTSA-N 2 2 398.391 3.991 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1)Cn1cc[nH+]c1 ZINC001136893026 899664141 /nfs/dbraw/zinc/66/41/41/899664141.db2.gz MWQISSJDNCCIOR-AJSBUHFISA-N 2 2 394.563 3.574 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1)Cn1cc[nH+]c1 ZINC001136893026 899664148 /nfs/dbraw/zinc/66/41/48/899664148.db2.gz MWQISSJDNCCIOR-AJSBUHFISA-N 2 2 394.563 3.574 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1Cl ZINC000824546387 899702342 /nfs/dbraw/zinc/70/23/42/899702342.db2.gz IIJXNMVEPUBWLC-HNNXBMFYSA-N 2 2 396.926 3.835 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H](C)NC(=O)OC(C)(C)C ZINC000824642498 899733354 /nfs/dbraw/zinc/73/33/54/899733354.db2.gz CKOFBCJXJCONNG-SJORKVTESA-N 2 2 390.572 3.613 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(SC(F)F)c3)CC2)CC1 ZINC000120076362 899740314 /nfs/dbraw/zinc/74/03/14/899740314.db2.gz YVUNDRIYUDTDGH-UHFFFAOYSA-N 2 2 398.523 3.681 20 0 GHADLP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333051740 899922198 /nfs/dbraw/zinc/92/21/98/899922198.db2.gz QNFONLFYCCDHJB-UHFFFAOYSA-N 2 2 386.927 3.999 20 0 GHADLP Cc1ccc(-c2nnc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)o2)cc1 ZINC000333068456 899936452 /nfs/dbraw/zinc/93/64/52/899936452.db2.gz ULMFDJVKPWKCGF-UHFFFAOYSA-N 2 2 377.492 3.957 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCO[C@@H](c4ccccn4)C3)CC2)cc1 ZINC000825090833 899972166 /nfs/dbraw/zinc/97/21/66/899972166.db2.gz JQYXFBOWOLXWQJ-AUSIDOKSSA-N 2 2 380.536 3.626 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000825263455 900057896 /nfs/dbraw/zinc/05/78/96/900057896.db2.gz RFJROECUTQYVJG-CABCVRRESA-N 2 2 376.526 3.717 20 0 GHADLP O[C@@H](Cc1ccccc1C(F)(F)F)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000572142093 900076914 /nfs/dbraw/zinc/07/69/14/900076914.db2.gz QTNSNAMGWUXIBO-KRWDZBQOSA-N 2 2 379.426 3.580 20 0 GHADLP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001137020910 900097116 /nfs/dbraw/zinc/09/71/16/900097116.db2.gz FYFPXUKVAUMDML-QHCPKHFHSA-N 2 2 388.515 3.710 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccc3c(c1)COC3)CC2 ZINC001137024008 900111693 /nfs/dbraw/zinc/11/16/93/900111693.db2.gz NBYSYBXDRFASBZ-UHFFFAOYSA-N 2 2 381.520 3.952 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccc3c(c1)COC3)CC2 ZINC001137024008 900111699 /nfs/dbraw/zinc/11/16/99/900111699.db2.gz NBYSYBXDRFASBZ-UHFFFAOYSA-N 2 2 381.520 3.952 20 0 GHADLP [NH3+][C@H]1CCc2c3ccccc3n(-c3ncnc4c3C[N@H+](Cc3ccccc3)C4)c2C1 ZINC001171091802 900206879 /nfs/dbraw/zinc/20/68/79/900206879.db2.gz VORULVYFTWVLHI-SFHVURJKSA-N 2 2 395.510 3.752 20 0 GHADLP [NH3+][C@H]1CCc2c3ccccc3n(-c3ncnc4c3C[N@@H+](Cc3ccccc3)C4)c2C1 ZINC001171091802 900206887 /nfs/dbraw/zinc/20/68/87/900206887.db2.gz VORULVYFTWVLHI-SFHVURJKSA-N 2 2 395.510 3.752 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)N(C)Cc3ccccc3)C2)s1 ZINC000573312506 900462370 /nfs/dbraw/zinc/46/23/70/900462370.db2.gz HGVWMTCHOQHXDY-TZIWHRDSSA-N 2 2 399.604 3.857 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)N(C)Cc3ccccc3)C2)s1 ZINC000573312506 900462380 /nfs/dbraw/zinc/46/23/80/900462380.db2.gz HGVWMTCHOQHXDY-TZIWHRDSSA-N 2 2 399.604 3.857 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N(C)Cc3ccccc3)C2)s1 ZINC000573312506 900462388 /nfs/dbraw/zinc/46/23/88/900462388.db2.gz HGVWMTCHOQHXDY-TZIWHRDSSA-N 2 2 399.604 3.857 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N(C)Cc3ccccc3)C2)s1 ZINC000573312506 900462397 /nfs/dbraw/zinc/46/23/97/900462397.db2.gz HGVWMTCHOQHXDY-TZIWHRDSSA-N 2 2 399.604 3.857 20 0 GHADLP CN(C)c1cc[nH+]cc1NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC001186307151 914458553 /nfs/dbraw/zinc/45/85/53/914458553.db2.gz BPDGFUGEPJGXPK-QHCPKHFHSA-N 2 2 386.499 3.713 20 0 GHADLP CN(C)c1cc[nH+]cc1NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC001186307151 914458566 /nfs/dbraw/zinc/45/85/66/914458566.db2.gz BPDGFUGEPJGXPK-QHCPKHFHSA-N 2 2 386.499 3.713 20 0 GHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@](C)(O)C(F)F)CC1 ZINC000886080794 900709522 /nfs/dbraw/zinc/70/95/22/900709522.db2.gz GFNKQRGEIVGOOT-KRWDZBQOSA-N 2 2 380.401 3.618 20 0 GHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@](C)(O)C(F)F)CC1 ZINC000886080794 900709531 /nfs/dbraw/zinc/70/95/31/900709531.db2.gz GFNKQRGEIVGOOT-KRWDZBQOSA-N 2 2 380.401 3.618 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001144099660 901064825 /nfs/dbraw/zinc/06/48/25/901064825.db2.gz ZMIDWCYIQQVNDX-FQEVSTJZSA-N 2 2 383.540 3.608 20 0 GHADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001144099660 901064835 /nfs/dbraw/zinc/06/48/35/901064835.db2.gz ZMIDWCYIQQVNDX-FQEVSTJZSA-N 2 2 383.540 3.608 20 0 GHADLP Clc1ccc2c(c1)[C@H]([NH2+]Cc1nnc(C3CC[NH2+]CC3)[nH]1)CCCS2 ZINC000575052724 901102728 /nfs/dbraw/zinc/10/27/28/901102728.db2.gz GYKWFKXJYQFWLK-OAHLLOKOSA-N 2 2 377.945 3.642 20 0 GHADLP COC(=O)c1cncc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000886553698 901154010 /nfs/dbraw/zinc/15/40/10/901154010.db2.gz SYZKGKYEOGVANI-UTKZUKDTSA-N 2 2 378.476 3.774 20 0 GHADLP COc1cc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c(Br)cn1 ZINC000886659839 901212002 /nfs/dbraw/zinc/21/20/02/901212002.db2.gz WSVWDSBFDDPOKW-UHFFFAOYSA-N 2 2 379.302 3.572 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccnc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000886680751 901221700 /nfs/dbraw/zinc/22/17/00/901221700.db2.gz LDGJYVNTHXVHSP-UHFFFAOYSA-N 2 2 383.496 3.582 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3[nH]nc4ccc(F)cc43)CC2)c2ccccc2[nH+]1 ZINC001144191713 901226016 /nfs/dbraw/zinc/22/60/16/901226016.db2.gz XGYXXEYGYBWZSH-UHFFFAOYSA-N 2 2 375.451 3.881 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886948620 901347300 /nfs/dbraw/zinc/34/73/00/901347300.db2.gz NZWSPUXQEUNBDY-QHCPKHFHSA-N 2 2 393.535 3.884 20 0 GHADLP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333318002 902003200 /nfs/dbraw/zinc/00/32/00/902003200.db2.gz WLIIDUBPYRASIG-UHFFFAOYSA-N 2 2 395.551 3.875 20 0 GHADLP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333318002 902003210 /nfs/dbraw/zinc/00/32/10/902003210.db2.gz WLIIDUBPYRASIG-UHFFFAOYSA-N 2 2 395.551 3.875 20 0 GHADLP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001144669263 902595338 /nfs/dbraw/zinc/59/53/38/902595338.db2.gz NUCNLTDHDPLLJU-PWRODBHTSA-N 2 2 379.548 3.628 20 0 GHADLP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001144669263 902595348 /nfs/dbraw/zinc/59/53/48/902595348.db2.gz NUCNLTDHDPLLJU-PWRODBHTSA-N 2 2 379.548 3.628 20 0 GHADLP C[C@@H]1[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001144669263 902595356 /nfs/dbraw/zinc/59/53/56/902595356.db2.gz NUCNLTDHDPLLJU-PWRODBHTSA-N 2 2 379.548 3.628 20 0 GHADLP C[C@@H]1[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001144669263 902595361 /nfs/dbraw/zinc/59/53/61/902595361.db2.gz NUCNLTDHDPLLJU-PWRODBHTSA-N 2 2 379.548 3.628 20 0 GHADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600724356 902845790 /nfs/dbraw/zinc/84/57/90/902845790.db2.gz GVJOHQPQBDJBSU-SWLSCSKDSA-N 2 2 384.398 3.569 20 0 GHADLP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600724356 902845801 /nfs/dbraw/zinc/84/58/01/902845801.db2.gz GVJOHQPQBDJBSU-SWLSCSKDSA-N 2 2 384.398 3.569 20 0 GHADLP Fc1cccc(F)c1-c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)o1 ZINC000130374664 902948910 /nfs/dbraw/zinc/94/89/10/902948910.db2.gz MPJJUJDWVRDXPQ-HNNXBMFYSA-N 2 2 376.447 3.815 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000600967845 903166632 /nfs/dbraw/zinc/16/66/32/903166632.db2.gz ZSWQGZNKHHMOAE-MAODMQOUSA-N 2 2 385.939 3.894 20 0 GHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000600967845 903166642 /nfs/dbraw/zinc/16/66/42/903166642.db2.gz ZSWQGZNKHHMOAE-MAODMQOUSA-N 2 2 385.939 3.894 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccc(Br)cc1F ZINC001146986344 903654192 /nfs/dbraw/zinc/65/41/92/903654192.db2.gz DIQNFGWQLUBRTB-UHFFFAOYSA-N 2 2 389.228 3.659 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000779063712 903751625 /nfs/dbraw/zinc/75/16/25/903751625.db2.gz CUKUZAKHJSDILT-AQNXPRMDSA-N 2 2 396.535 3.581 20 0 GHADLP CSc1ccc([C@H](CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)[NH+](C)C)cc1 ZINC000579458061 904621781 /nfs/dbraw/zinc/62/17/81/904621781.db2.gz ZGTZHRRRJPHHQV-NRFANRHFSA-N 2 2 394.544 3.935 20 0 GHADLP CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889546114 904633582 /nfs/dbraw/zinc/63/35/82/904633582.db2.gz VKDMWBAKYCXSAV-WGSAOQKQSA-N 2 2 399.539 3.561 20 0 GHADLP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889546114 904633591 /nfs/dbraw/zinc/63/35/91/904633591.db2.gz VKDMWBAKYCXSAV-WGSAOQKQSA-N 2 2 399.539 3.561 20 0 GHADLP COc1ccccc1C[NH+]1CCC(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171725400 904951677 /nfs/dbraw/zinc/95/16/77/904951677.db2.gz KWUORXGGFAMODD-YKSBVNFPSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccccc1C[NH+]1CCC(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171725400 904951696 /nfs/dbraw/zinc/95/16/96/904951696.db2.gz KWUORXGGFAMODD-YKSBVNFPSA-N 2 2 393.575 3.912 20 0 GHADLP O=C(c1ccccc1)N1CCC[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001171873832 905077311 /nfs/dbraw/zinc/07/73/11/905077311.db2.gz SOGWQYNPAYHHSN-JOCHJYFZSA-N 2 2 392.547 3.583 20 0 GHADLP Brc1ccc(N2CCC(n3cc[nH+]c3[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001171997337 905210417 /nfs/dbraw/zinc/21/04/17/905210417.db2.gz WBWNNRCRFRRVTI-OAHLLOKOSA-N 2 2 389.341 3.954 20 0 GHADLP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975192 905220465 /nfs/dbraw/zinc/22/04/65/905220465.db2.gz LUTNWGLRQFYXAK-NRFANRHFSA-N 4 2 388.644 3.905 20 0 GHADLP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975192 905220482 /nfs/dbraw/zinc/22/04/82/905220482.db2.gz LUTNWGLRQFYXAK-NRFANRHFSA-N 4 2 388.644 3.905 20 0 GHADLP CC1(C)C[C@H](N2CC[NH+](Cc3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171981512 905233803 /nfs/dbraw/zinc/23/38/03/905233803.db2.gz MLWCUAGWLWAQMW-HSZRJFAPSA-N 2 2 378.564 3.642 20 0 GHADLP CC1(C)C[C@H](N2CC[NH+](Cc3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171981512 905233820 /nfs/dbraw/zinc/23/38/20/905233820.db2.gz MLWCUAGWLWAQMW-HSZRJFAPSA-N 2 2 378.564 3.642 20 0 GHADLP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171983761 905238004 /nfs/dbraw/zinc/23/80/04/905238004.db2.gz AHGSUFLUTOMWNL-JOCHJYFZSA-N 3 2 378.564 3.955 20 0 GHADLP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171983761 905238012 /nfs/dbraw/zinc/23/80/12/905238012.db2.gz AHGSUFLUTOMWNL-JOCHJYFZSA-N 3 2 378.564 3.955 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172122471 905383761 /nfs/dbraw/zinc/38/37/61/905383761.db2.gz BOBDULVGMSFQJB-WCIQWLHISA-N 2 2 377.573 3.866 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172122471 905383775 /nfs/dbraw/zinc/38/37/75/905383775.db2.gz BOBDULVGMSFQJB-WCIQWLHISA-N 2 2 377.573 3.866 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172122471 905383788 /nfs/dbraw/zinc/38/37/88/905383788.db2.gz BOBDULVGMSFQJB-WCIQWLHISA-N 2 2 377.573 3.866 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172122471 905383794 /nfs/dbraw/zinc/38/37/94/905383794.db2.gz BOBDULVGMSFQJB-WCIQWLHISA-N 2 2 377.573 3.866 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)CC1 ZINC001172215871 905418682 /nfs/dbraw/zinc/41/86/82/905418682.db2.gz MALISNXLLRKMLH-JTDLUGEMSA-N 2 2 390.955 3.719 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)CC1 ZINC001172215871 905418688 /nfs/dbraw/zinc/41/86/88/905418688.db2.gz MALISNXLLRKMLH-JTDLUGEMSA-N 2 2 390.955 3.719 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)CC1 ZINC001172215871 905418695 /nfs/dbraw/zinc/41/86/95/905418695.db2.gz MALISNXLLRKMLH-JTDLUGEMSA-N 2 2 390.955 3.719 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)CC1 ZINC001172215871 905418717 /nfs/dbraw/zinc/41/87/17/905418717.db2.gz MALISNXLLRKMLH-JTDLUGEMSA-N 2 2 390.955 3.719 20 0 GHADLP COCCC[NH+]1CCC([NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC001172253155 905448634 /nfs/dbraw/zinc/44/86/34/905448634.db2.gz DTEWICRQHWAPCY-UHFFFAOYSA-N 2 2 386.367 3.616 20 0 GHADLP CC(C)COCC[C@H](C)[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001172481406 905558230 /nfs/dbraw/zinc/55/82/30/905558230.db2.gz RVEHNDPEPNDINX-OALUTQOASA-N 2 2 397.604 3.501 20 0 GHADLP CC(C)COCC[C@H](C)[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001172481406 905558235 /nfs/dbraw/zinc/55/82/35/905558235.db2.gz RVEHNDPEPNDINX-OALUTQOASA-N 2 2 397.604 3.501 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+]([C@H]4CCC[C@@H](c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001172539967 905643030 /nfs/dbraw/zinc/64/30/30/905643030.db2.gz FMOHAHXCUNGKHE-LWSSLDFYSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+]([C@H]4CCC[C@@H](c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001172539967 905643037 /nfs/dbraw/zinc/64/30/37/905643037.db2.gz FMOHAHXCUNGKHE-LWSSLDFYSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+]([C@H]4CCC[C@@H](c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001172539967 905643045 /nfs/dbraw/zinc/64/30/45/905643045.db2.gz FMOHAHXCUNGKHE-LWSSLDFYSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+]([C@H]4CCC[C@@H](c5ccccc5)C4)C[C@@H]3C2)cn1 ZINC001172539967 905643051 /nfs/dbraw/zinc/64/30/51/905643051.db2.gz FMOHAHXCUNGKHE-LWSSLDFYSA-N 2 2 378.564 3.900 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000177263808 906081039 /nfs/dbraw/zinc/08/10/39/906081039.db2.gz CUVDSFXVYNTONQ-UGKGYDQZSA-N 2 2 375.520 3.752 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000177263808 906081051 /nfs/dbraw/zinc/08/10/51/906081051.db2.gz CUVDSFXVYNTONQ-UGKGYDQZSA-N 2 2 375.520 3.752 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3ccnc3)nc2)CC[NH+]1Cc1ccccc1 ZINC000177263808 906081067 /nfs/dbraw/zinc/08/10/67/906081067.db2.gz CUVDSFXVYNTONQ-UGKGYDQZSA-N 2 2 375.520 3.752 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3ccnc3)nc2)CC[NH+]1Cc1ccccc1 ZINC000177263808 906081076 /nfs/dbraw/zinc/08/10/76/906081076.db2.gz CUVDSFXVYNTONQ-UGKGYDQZSA-N 2 2 375.520 3.752 20 0 GHADLP C[C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001173057926 906131895 /nfs/dbraw/zinc/13/18/95/906131895.db2.gz GGBBLANKCCZHGL-VJANTYMQSA-N 2 2 388.556 3.946 20 0 GHADLP C[C@H]1CC[C@@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CN1C(=O)OC(C)(C)C ZINC001173073333 906168025 /nfs/dbraw/zinc/16/80/25/906168025.db2.gz NEIRFABVXXIDGS-DOTOQJQBSA-N 2 2 392.519 3.567 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001173074616 906169767 /nfs/dbraw/zinc/16/97/67/906169767.db2.gz VUOAKQNEDWUSKU-FGTMMUONSA-N 2 2 375.513 3.631 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001173074616 906169771 /nfs/dbraw/zinc/16/97/71/906169771.db2.gz VUOAKQNEDWUSKU-FGTMMUONSA-N 2 2 375.513 3.631 20 0 GHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178176940 906305001 /nfs/dbraw/zinc/30/50/01/906305001.db2.gz JKPQWFWMEUTZGU-GOSISDBHSA-N 2 2 382.508 3.555 20 0 GHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178176940 906305013 /nfs/dbraw/zinc/30/50/13/906305013.db2.gz JKPQWFWMEUTZGU-GOSISDBHSA-N 2 2 382.508 3.555 20 0 GHADLP O=C(c1ccc(F)c(Cl)c1)N1CCC([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC001173767415 906686736 /nfs/dbraw/zinc/68/67/36/906686736.db2.gz LZPJJGBNSUSOOC-UHFFFAOYSA-N 2 2 381.923 3.549 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000180096051 906687182 /nfs/dbraw/zinc/68/71/82/906687182.db2.gz TWVZBGQOOFZUJU-SJORKVTESA-N 2 2 395.526 3.876 20 0 GHADLP C[NH+](C)[C@H](CC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)c1ccccc1 ZINC000629388406 906759424 /nfs/dbraw/zinc/75/94/24/906759424.db2.gz UXSHJBTYRZTMEO-HSZRJFAPSA-N 2 2 390.531 3.505 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000181589224 907032230 /nfs/dbraw/zinc/03/22/30/907032230.db2.gz NRVLPBMURDPHCC-VQTJNVASSA-N 3 2 396.579 3.898 20 0 GHADLP CSc1ccsc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183669142 907432327 /nfs/dbraw/zinc/43/23/27/907432327.db2.gz AHZYBJNNZAEHNI-IRXDYDNUSA-N 2 2 395.638 3.879 20 0 GHADLP CSc1ccsc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183669142 907432337 /nfs/dbraw/zinc/43/23/37/907432337.db2.gz AHZYBJNNZAEHNI-IRXDYDNUSA-N 2 2 395.638 3.879 20 0 GHADLP CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C2)CC1 ZINC000299458268 921345177 /nfs/dbraw/zinc/34/51/77/921345177.db2.gz BRPXRDRRNIXWNX-NRFANRHFSA-N 2 2 380.536 3.516 20 0 GHADLP C[NH+](C)CCCOc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)cn1 ZINC001176353090 908068084 /nfs/dbraw/zinc/06/80/84/908068084.db2.gz ZXDZFJIPEZXTGT-UHFFFAOYSA-N 2 2 390.285 3.566 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC001176983756 908346216 /nfs/dbraw/zinc/34/62/16/908346216.db2.gz ADLDPNZWGGGMKB-VQIMIIECSA-N 2 2 384.499 3.762 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC001176983756 908346222 /nfs/dbraw/zinc/34/62/22/908346222.db2.gz ADLDPNZWGGGMKB-VQIMIIECSA-N 2 2 384.499 3.762 20 0 GHADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cnc(-c4cccs4)s3)cc2)CC1 ZINC001177267911 908507301 /nfs/dbraw/zinc/50/73/01/908507301.db2.gz OBCOWCSUWSLQBL-UHFFFAOYSA-N 2 2 398.601 3.909 20 0 GHADLP CCC1([NH+]2CCCC2)CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000633955932 908558296 /nfs/dbraw/zinc/55/82/96/908558296.db2.gz ZMEXLYILIZXPFB-FQEVSTJZSA-N 2 2 380.536 3.799 20 0 GHADLP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3c[nH]c(-c4ccccc4)n3)CC2)oc1C ZINC001177663610 908687461 /nfs/dbraw/zinc/68/74/61/908687461.db2.gz FKHCXCYWTFHMNE-UHFFFAOYSA-N 2 2 379.508 3.683 20 0 GHADLP COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)n2c1CCCC2 ZINC001178409410 909047052 /nfs/dbraw/zinc/04/70/52/909047052.db2.gz RUNDCJRBQIMSAU-INIZCTEOSA-N 2 2 378.476 3.648 20 0 GHADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)c2C1 ZINC000635716895 909333011 /nfs/dbraw/zinc/33/30/11/909333011.db2.gz HLSJBDDNFBHBSZ-KRWDZBQOSA-N 2 2 380.414 3.987 20 0 GHADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)c2C1 ZINC000635716895 909333027 /nfs/dbraw/zinc/33/30/27/909333027.db2.gz HLSJBDDNFBHBSZ-KRWDZBQOSA-N 2 2 380.414 3.987 20 0 GHADLP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267398177 909481088 /nfs/dbraw/zinc/48/10/88/909481088.db2.gz FKOICANVAPRMBH-MRXNPFEDSA-N 2 2 380.448 3.621 20 0 GHADLP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267398177 909481100 /nfs/dbraw/zinc/48/11/00/909481100.db2.gz FKOICANVAPRMBH-MRXNPFEDSA-N 2 2 380.448 3.621 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1Cl ZINC000268844060 910041346 /nfs/dbraw/zinc/04/13/46/910041346.db2.gz UUWCRJWTQGSBBZ-HNNXBMFYSA-N 2 2 389.902 3.718 20 0 GHADLP COc1cccc([C@H]([NH3+])C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000638073755 910047116 /nfs/dbraw/zinc/04/71/16/910047116.db2.gz GFRSGFZDBZRILM-FQEVSTJZSA-N 2 2 376.460 3.534 20 0 GHADLP CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001180262350 910053523 /nfs/dbraw/zinc/05/35/23/910053523.db2.gz RPWYRDRHXVXVSB-NRFANRHFSA-N 2 2 386.561 3.969 20 0 GHADLP CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001180262350 910053532 /nfs/dbraw/zinc/05/35/32/910053532.db2.gz RPWYRDRHXVXVSB-NRFANRHFSA-N 2 2 386.561 3.969 20 0 GHADLP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269098501 910138827 /nfs/dbraw/zinc/13/88/27/910138827.db2.gz FIKSCQHAFNWMRA-GOSISDBHSA-N 2 2 397.523 3.686 20 0 GHADLP COc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)ccc1SC ZINC000269158953 910164580 /nfs/dbraw/zinc/16/45/80/910164580.db2.gz TUHPJVZXYJPFKS-UHFFFAOYSA-N 2 2 386.565 3.955 20 0 GHADLP CO[C@H](C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCOC1 ZINC000638534012 910174257 /nfs/dbraw/zinc/17/42/57/910174257.db2.gz NXTCNTNBPVRFKB-ISKFKSNPSA-N 2 2 391.515 3.740 20 0 GHADLP Cn1c2ccccc2cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1=O ZINC000639201590 910348222 /nfs/dbraw/zinc/34/82/22/910348222.db2.gz XAPMBOBYEDMRES-XUZZJYLKSA-N 2 2 387.527 3.996 20 0 GHADLP Cn1c2ccccc2cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1=O ZINC000639201590 910348239 /nfs/dbraw/zinc/34/82/39/910348239.db2.gz XAPMBOBYEDMRES-XUZZJYLKSA-N 2 2 387.527 3.996 20 0 GHADLP c1c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)onc1C1CC1 ZINC000639210154 910352384 /nfs/dbraw/zinc/35/23/84/910352384.db2.gz IPSNELHRQGRXLW-FQEVSTJZSA-N 2 2 381.520 3.570 20 0 GHADLP c1c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)onc1C1CC1 ZINC000639210154 910352403 /nfs/dbraw/zinc/35/24/03/910352403.db2.gz IPSNELHRQGRXLW-FQEVSTJZSA-N 2 2 381.520 3.570 20 0 GHADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639247328 910365353 /nfs/dbraw/zinc/36/53/53/910365353.db2.gz STKAKHLDGKCEID-LRXVAGHRSA-N 2 2 378.520 3.675 20 0 GHADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639247328 910365370 /nfs/dbraw/zinc/36/53/70/910365370.db2.gz STKAKHLDGKCEID-LRXVAGHRSA-N 2 2 378.520 3.675 20 0 GHADLP FC(F)(F)[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)n1cccn1 ZINC000639345116 910394304 /nfs/dbraw/zinc/39/43/04/910394304.db2.gz DQYCGENTQBVZGP-UHOSZYNNSA-N 2 2 378.442 3.944 20 0 GHADLP FC(F)(F)[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)n1cccn1 ZINC000639345116 910394310 /nfs/dbraw/zinc/39/43/10/910394310.db2.gz DQYCGENTQBVZGP-UHOSZYNNSA-N 2 2 378.442 3.944 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000774006834 911228279 /nfs/dbraw/zinc/22/82/79/911228279.db2.gz IQTRBHQIOUXXCT-ICSRJNTNSA-N 2 2 392.906 3.716 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000774006834 911228296 /nfs/dbraw/zinc/22/82/96/911228296.db2.gz IQTRBHQIOUXXCT-ICSRJNTNSA-N 2 2 392.906 3.716 20 0 GHADLP CCCC[N@H+](CC)[C@@H](C(=O)NCCSCc1[nH]c[nH+]c1C)c1ccccc1 ZINC001182232896 911290093 /nfs/dbraw/zinc/29/00/93/911290093.db2.gz GRZVCAKKVJPVHU-HXUWFJFHSA-N 2 2 388.581 3.931 20 0 GHADLP CCCC[N@@H+](CC)[C@@H](C(=O)NCCSCc1[nH]c[nH+]c1C)c1ccccc1 ZINC001182232896 911290104 /nfs/dbraw/zinc/29/01/04/911290104.db2.gz GRZVCAKKVJPVHU-HXUWFJFHSA-N 2 2 388.581 3.931 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CCCc2ccc(C[NH3+])nc21)c1ccccc1Cl ZINC001182223826 911319034 /nfs/dbraw/zinc/31/90/34/911319034.db2.gz LREJMGBTVXTFRT-LJQANCHMSA-N 2 2 386.927 3.556 20 0 GHADLP Brc1cncc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)c1 ZINC000284250649 911803899 /nfs/dbraw/zinc/80/38/99/911803899.db2.gz FREYUWAKOYJQDD-IBGZPJMESA-N 2 2 387.325 3.949 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@H](c3nnc[nH]3)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000293475429 916221903 /nfs/dbraw/zinc/22/19/03/916221903.db2.gz QUUXAYSTGXICNJ-SVMVAKDDSA-N 2 2 397.567 3.825 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H](c3nnc[nH]3)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000293475429 916221916 /nfs/dbraw/zinc/22/19/16/916221916.db2.gz QUUXAYSTGXICNJ-SVMVAKDDSA-N 2 2 397.567 3.825 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N(C3CC3)C3CCCC3)C2)s1 ZINC000649604083 916254211 /nfs/dbraw/zinc/25/42/11/916254211.db2.gz PVTTWQPCHUIQDR-GOSISDBHSA-N 2 2 389.609 3.744 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N(C3CC3)C3CCCC3)C2)s1 ZINC000649604083 916254218 /nfs/dbraw/zinc/25/42/18/916254218.db2.gz PVTTWQPCHUIQDR-GOSISDBHSA-N 2 2 389.609 3.744 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N(C3CC3)C3CCCC3)C2)s1 ZINC000649604083 916254233 /nfs/dbraw/zinc/25/42/33/916254233.db2.gz PVTTWQPCHUIQDR-GOSISDBHSA-N 2 2 389.609 3.744 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N(C3CC3)C3CCCC3)C2)s1 ZINC000649604083 916254251 /nfs/dbraw/zinc/25/42/51/916254251.db2.gz PVTTWQPCHUIQDR-GOSISDBHSA-N 2 2 389.609 3.744 20 0 GHADLP O=c1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c2ccc(O)cc2o1 ZINC000796443745 917321312 /nfs/dbraw/zinc/32/13/12/917321312.db2.gz LIUDRNXGUUYKTH-DEOSSOPVSA-N 2 2 390.483 3.597 20 0 GHADLP O=c1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c2ccc(O)cc2o1 ZINC000796443745 917321317 /nfs/dbraw/zinc/32/13/17/917321317.db2.gz LIUDRNXGUUYKTH-DEOSSOPVSA-N 2 2 390.483 3.597 20 0 GHADLP O=c1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c2ccc(O)cc2o1 ZINC000796443745 917321333 /nfs/dbraw/zinc/32/13/33/917321333.db2.gz LIUDRNXGUUYKTH-DEOSSOPVSA-N 2 2 390.483 3.597 20 0 GHADLP O=c1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c2ccc(O)cc2o1 ZINC000796443745 917321341 /nfs/dbraw/zinc/32/13/41/917321341.db2.gz LIUDRNXGUUYKTH-DEOSSOPVSA-N 2 2 390.483 3.597 20 0 GHADLP CS(=O)(=O)c1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000296166757 917930047 /nfs/dbraw/zinc/93/00/47/917930047.db2.gz WWCGWTKDEGCMCM-UHFFFAOYSA-N 2 2 398.572 3.578 20 0 GHADLP CS(=O)(=O)c1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000296166757 917930058 /nfs/dbraw/zinc/93/00/58/917930058.db2.gz WWCGWTKDEGCMCM-UHFFFAOYSA-N 2 2 398.572 3.578 20 0 GHADLP O=C(Cc1cn2c([nH+]1)CCCC2)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652871008 918045216 /nfs/dbraw/zinc/04/52/16/918045216.db2.gz URLQCEQMYGNWJJ-UHFFFAOYSA-N 2 2 384.549 3.589 20 0 GHADLP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001191531527 918047559 /nfs/dbraw/zinc/04/75/59/918047559.db2.gz SYYVZCCWOKCNIT-QHCPKHFHSA-N 2 2 392.591 3.929 20 0 GHADLP CC[C@H]1CN(C)c2ccccc2C[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001191531527 918047574 /nfs/dbraw/zinc/04/75/74/918047574.db2.gz SYYVZCCWOKCNIT-QHCPKHFHSA-N 2 2 392.591 3.929 20 0 GHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000363444800 918268668 /nfs/dbraw/zinc/26/86/68/918268668.db2.gz AHOWYVDTDOWWJX-HXUWFJFHSA-N 2 2 390.524 3.676 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000653591458 918336152 /nfs/dbraw/zinc/33/61/52/918336152.db2.gz HXCFMULGRKPXFD-CQSZACIVSA-N 2 2 387.281 3.827 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000653591458 918336165 /nfs/dbraw/zinc/33/61/65/918336165.db2.gz HXCFMULGRKPXFD-CQSZACIVSA-N 2 2 387.281 3.827 20 0 GHADLP O[C@@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)c(F)c1 ZINC000800405557 920037483 /nfs/dbraw/zinc/03/74/83/920037483.db2.gz NNPHYKJVBMBKFU-BEFAXECRSA-N 2 2 377.891 3.925 20 0 GHADLP O[C@@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)c(F)c1 ZINC000800405557 920037487 /nfs/dbraw/zinc/03/74/87/920037487.db2.gz NNPHYKJVBMBKFU-BEFAXECRSA-N 2 2 377.891 3.925 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](c2ccccc2F)C2CCOCC2)cn1 ZINC000903075191 922750358 /nfs/dbraw/zinc/75/03/58/922750358.db2.gz RJEGCWUKHSNZMH-JOCHJYFZSA-N 2 2 380.467 3.972 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(C)c1 ZINC000676755283 924062509 /nfs/dbraw/zinc/06/25/09/924062509.db2.gz JDGHGGDPRXQMSE-UNMCSNQZSA-N 2 2 395.551 3.511 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc3[nH+]ccn3c2)C[N@@H+]1Cc1ccccc1 ZINC000677078635 924229985 /nfs/dbraw/zinc/22/99/85/924229985.db2.gz SERGLEGRDPUNHE-IEBWSBKVSA-N 2 2 377.492 3.757 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc3[nH+]ccn3c2)C[N@H+]1Cc1ccccc1 ZINC000677078635 924229997 /nfs/dbraw/zinc/22/99/97/924229997.db2.gz SERGLEGRDPUNHE-IEBWSBKVSA-N 2 2 377.492 3.757 20 0 GHADLP C[C@]12CC[N@H+](Cc3cccc4[nH+]ccn43)C[C@H]1C2(Br)Br ZINC000826889281 924323307 /nfs/dbraw/zinc/32/33/07/924323307.db2.gz TVEQRFLOTJIZKI-OCCSQVGLSA-N 2 2 399.130 3.662 20 0 GHADLP C[C@]12CC[N@@H+](Cc3cccc4[nH+]ccn43)C[C@H]1C2(Br)Br ZINC000826889281 924323315 /nfs/dbraw/zinc/32/33/15/924323315.db2.gz TVEQRFLOTJIZKI-OCCSQVGLSA-N 2 2 399.130 3.662 20 0 GHADLP CC1(C)C[C@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000677749956 924477543 /nfs/dbraw/zinc/47/75/43/924477543.db2.gz WOIWSMAUWIBRHK-NRFANRHFSA-N 2 2 383.580 3.810 20 0 GHADLP CC1(C)C[C@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000677749956 924477546 /nfs/dbraw/zinc/47/75/46/924477546.db2.gz WOIWSMAUWIBRHK-NRFANRHFSA-N 2 2 383.580 3.810 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccco1 ZINC000371527531 924635555 /nfs/dbraw/zinc/63/55/55/924635555.db2.gz WXWRBXCYYRRQMT-PKOBYXMFSA-N 2 2 384.524 3.505 20 0 GHADLP CC[NH+](CC)CCN(CC(C)C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409499084 924706257 /nfs/dbraw/zinc/70/62/57/924706257.db2.gz GIYDKNWFWMHJOJ-UHFFFAOYSA-N 2 2 389.519 3.521 20 0 GHADLP O[C@@H]([C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000679042956 925007999 /nfs/dbraw/zinc/00/79/99/925007999.db2.gz IXBXHLFJDHLVDY-PMACEKPBSA-N 2 2 384.486 3.908 20 0 GHADLP Brc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]2CCCO2)cc1 ZINC000679330833 925097120 /nfs/dbraw/zinc/09/71/20/925097120.db2.gz UOVULOZKDPXLFZ-OALUTQOASA-N 2 2 379.342 3.886 20 0 GHADLP COc1cccc([C@H]2[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCN2C2CC2)c1 ZINC000679361208 925108793 /nfs/dbraw/zinc/10/87/93/925108793.db2.gz MVUXAZKYFYDNMQ-RPWUZVMVSA-N 2 2 388.515 3.949 20 0 GHADLP COc1ccc2oc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)c(C)c2c1 ZINC000680416750 925471471 /nfs/dbraw/zinc/47/14/71/925471471.db2.gz AWODZUBGYMRFPA-HKUYNNGSSA-N 2 2 382.504 3.893 20 0 GHADLP COc1ccc2oc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)c(C)c2c1 ZINC000680416750 925471479 /nfs/dbraw/zinc/47/14/79/925471479.db2.gz AWODZUBGYMRFPA-HKUYNNGSSA-N 2 2 382.504 3.893 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCCNc3cccc[nH+]3)cc2)C1 ZINC000410366879 925573448 /nfs/dbraw/zinc/57/34/48/925573448.db2.gz RZKYYSHYCUGIAP-IBGZPJMESA-N 2 2 395.551 3.615 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCCNc3cccc[nH+]3)cc2)C1 ZINC000410366879 925573453 /nfs/dbraw/zinc/57/34/53/925573453.db2.gz RZKYYSHYCUGIAP-IBGZPJMESA-N 2 2 395.551 3.615 20 0 GHADLP CN(C(=O)N[C@@H](c1ccccc1)C1CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681210018 925762415 /nfs/dbraw/zinc/76/24/15/925762415.db2.gz BQNYBMZAZKQMQV-GOTSBHOMSA-N 2 2 398.595 3.728 20 0 GHADLP CN(C(=O)N[C@@H](c1ccccc1)C1CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681210018 925762422 /nfs/dbraw/zinc/76/24/22/925762422.db2.gz BQNYBMZAZKQMQV-GOTSBHOMSA-N 2 2 398.595 3.728 20 0 GHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411311394 926297079 /nfs/dbraw/zinc/29/70/79/926297079.db2.gz QQQUEWVCAHMPBC-ZRCGQRJVSA-N 2 2 397.588 3.902 20 0 GHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411311394 926297083 /nfs/dbraw/zinc/29/70/83/926297083.db2.gz QQQUEWVCAHMPBC-ZRCGQRJVSA-N 2 2 397.588 3.902 20 0 GHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411311394 926297092 /nfs/dbraw/zinc/29/70/92/926297092.db2.gz QQQUEWVCAHMPBC-ZRCGQRJVSA-N 2 2 397.588 3.902 20 0 GHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411311394 926297095 /nfs/dbraw/zinc/29/70/95/926297095.db2.gz QQQUEWVCAHMPBC-ZRCGQRJVSA-N 2 2 397.588 3.902 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000726237000 926601849 /nfs/dbraw/zinc/60/18/49/926601849.db2.gz IQEICDMDQJBPGB-NQIIRXRSSA-N 2 2 389.503 3.507 20 0 GHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000726237000 926601866 /nfs/dbraw/zinc/60/18/66/926601866.db2.gz IQEICDMDQJBPGB-NQIIRXRSSA-N 2 2 389.503 3.507 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1C ZINC000726247293 926610035 /nfs/dbraw/zinc/61/00/35/926610035.db2.gz IPELKMXIQOGRON-UHFFFAOYSA-N 2 2 388.556 3.551 20 0 GHADLP CCOC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000411688820 926654566 /nfs/dbraw/zinc/65/45/66/926654566.db2.gz IVLVKWRYBJALIA-OAQYLSRUSA-N 2 2 381.520 3.649 20 0 GHADLP CCOC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000411688820 926654575 /nfs/dbraw/zinc/65/45/75/926654575.db2.gz IVLVKWRYBJALIA-OAQYLSRUSA-N 2 2 381.520 3.649 20 0 GHADLP Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c(N(C)C)[nH+]1 ZINC000750387931 927596817 /nfs/dbraw/zinc/59/68/17/927596817.db2.gz CREUNUMIEWPRJT-UHFFFAOYSA-N 2 2 381.524 3.551 20 0 GHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](C[C@@H]4CCc5ccccc54)C3)CC2)nc1 ZINC000780285347 927621128 /nfs/dbraw/zinc/62/11/28/927621128.db2.gz ITGNKZWKEKHUAM-GMAHTHKFSA-N 2 2 390.575 3.646 20 0 GHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](C[C@@H]4CCc5ccccc54)C3)CC2)nc1 ZINC000780285347 927621133 /nfs/dbraw/zinc/62/11/33/927621133.db2.gz ITGNKZWKEKHUAM-GMAHTHKFSA-N 2 2 390.575 3.646 20 0 GHADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)N[C@@H](c1ccccc1)C1CC1 ZINC000543988953 928653517 /nfs/dbraw/zinc/65/35/17/928653517.db2.gz NRMZTYIYBBTDML-QHCPKHFHSA-N 2 2 380.536 3.643 20 0 GHADLP O[C@@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467139279 928746043 /nfs/dbraw/zinc/74/60/43/928746043.db2.gz NMCHNHNCEDWSEA-OAQYLSRUSA-N 2 2 377.488 3.696 20 0 GHADLP CCS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c1 ZINC000467411137 929044977 /nfs/dbraw/zinc/04/49/77/929044977.db2.gz MRXUCSCXUCATTL-FXAWDEMLSA-N 2 2 378.582 3.613 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccccc3-n3cccn3)CC2)cc1 ZINC000753373206 929324225 /nfs/dbraw/zinc/32/42/25/929324225.db2.gz YHMQJOFTRWCBHJ-UHFFFAOYSA-N 2 2 375.520 3.697 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1nc(C(F)(F)F)cs1 ZINC000467749960 929370236 /nfs/dbraw/zinc/37/02/36/929370236.db2.gz UBTCPASJXHAWMO-WCQYABFASA-N 2 2 385.459 3.870 20 0 GHADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000546660078 930335706 /nfs/dbraw/zinc/33/57/06/930335706.db2.gz VVXCPTLCUWOFGA-QZTJIDSGSA-N 2 2 393.531 3.780 20 0 GHADLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccnn1-c1ccccc1 ZINC000547396591 930979672 /nfs/dbraw/zinc/97/96/72/930979672.db2.gz ZVVXLZYNOOSYLO-REWPJTCUSA-N 2 2 389.547 3.512 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2cc(F)ccc2-c2ccoc2)([NH+]2CCCCC2)CC1 ZINC000470987682 931079383 /nfs/dbraw/zinc/07/93/83/931079383.db2.gz WGPCGXJKNKHLKC-UHFFFAOYSA-N 2 2 399.510 3.766 20 0 GHADLP Cc1ccccc1[C@@H]1CC(=O)N(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000782943223 931370880 /nfs/dbraw/zinc/37/08/80/931370880.db2.gz QIHLYORBFAPJNU-OAQYLSRUSA-N 2 2 380.536 3.657 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(Br)n1 ZINC000924574572 931425765 /nfs/dbraw/zinc/42/57/65/931425765.db2.gz ORBVPUGRZMRFHY-OAHLLOKOSA-N 2 2 390.325 3.527 20 0 GHADLP CC[N@H+](C)[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1 ZINC000557456766 931441476 /nfs/dbraw/zinc/44/14/76/931441476.db2.gz GIDPKDLVVNETDS-JTHBVZDNSA-N 2 2 391.515 3.920 20 0 GHADLP CC[N@@H+](C)[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1 ZINC000557456766 931441486 /nfs/dbraw/zinc/44/14/86/931441486.db2.gz GIDPKDLVVNETDS-JTHBVZDNSA-N 2 2 391.515 3.920 20 0 GHADLP CC(C)[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccccn1)N1CC[NH+](C)CC1 ZINC000924630267 931455288 /nfs/dbraw/zinc/45/52/88/931455288.db2.gz AEYUWIMIJFPQJZ-VXKWHMMOSA-N 2 2 386.971 3.686 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCc3ncc(Br)cc32)cn1 ZINC000924723095 931516502 /nfs/dbraw/zinc/51/65/02/931516502.db2.gz JKWCLDZPACLTQG-QGZVFWFLSA-N 2 2 398.308 3.900 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c2ncnn21 ZINC000924942010 931591563 /nfs/dbraw/zinc/59/15/63/931591563.db2.gz SIEUSKGNAMPWLV-JTSKRJEESA-N 2 2 384.487 3.986 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)COc2ccccc2C)c(C)c1 ZINC000557931988 931761731 /nfs/dbraw/zinc/76/17/31/931761731.db2.gz XJEXZFLYZCNXOR-IRLDBZIGSA-N 2 2 379.504 3.579 20 0 GHADLP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)n(C)n1 ZINC000925592650 931834294 /nfs/dbraw/zinc/83/42/94/931834294.db2.gz YEVKAGQMPKXLKC-QMHWCDLVSA-N 2 2 381.568 3.650 20 0 GHADLP COc1cc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(F)cn1 ZINC000558241777 931899884 /nfs/dbraw/zinc/89/98/84/931899884.db2.gz VBVOMILQVJJWGM-HUUCEWRRSA-N 2 2 390.478 3.532 20 0 GHADLP Brc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2cccnc2)cc1 ZINC000926450195 932189279 /nfs/dbraw/zinc/18/92/79/932189279.db2.gz LBKZCDKYHWXMLB-LPHOPBHVSA-N 2 2 383.293 3.804 20 0 GHADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000798182490 932554275 /nfs/dbraw/zinc/55/42/75/932554275.db2.gz IVIPBZHXMGQOSC-KRWDZBQOSA-N 2 2 397.629 3.583 20 0 GHADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000559843332 932902302 /nfs/dbraw/zinc/90/23/02/932902302.db2.gz KHPICMGEXRFOET-RBDMOPTHSA-N 2 2 386.561 3.966 20 0 GHADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000559843332 932902311 /nfs/dbraw/zinc/90/23/11/932902311.db2.gz KHPICMGEXRFOET-RBDMOPTHSA-N 2 2 386.561 3.966 20 0 GHADLP CC(C)c1ccc(C2(C(=O)N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CCC2)cc1 ZINC001116046972 933304413 /nfs/dbraw/zinc/30/44/13/933304413.db2.gz RPURFHOPHIHSRJ-HSZRJFAPSA-N 2 2 397.607 3.859 20 0 GHADLP CC(C)c1ccc(C2(C(=O)N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CCC2)cc1 ZINC001116046972 933304425 /nfs/dbraw/zinc/30/44/25/933304425.db2.gz RPURFHOPHIHSRJ-HSZRJFAPSA-N 2 2 397.607 3.859 20 0 GHADLP Cn1nc(Br)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000691919495 933777501 /nfs/dbraw/zinc/77/75/01/933777501.db2.gz JZYLFHNODQFCKU-QGZVFWFLSA-N 2 2 391.357 3.573 20 0 GHADLP Cn1nc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000691919495 933777512 /nfs/dbraw/zinc/77/75/12/933777512.db2.gz JZYLFHNODQFCKU-QGZVFWFLSA-N 2 2 391.357 3.573 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000561194678 933947044 /nfs/dbraw/zinc/94/70/44/933947044.db2.gz SFKOOLXFCAZFCG-QWFCFKBJSA-N 2 2 382.552 3.804 20 0 GHADLP O=C(C[C@@H]1[NH2+]Cc2ccccc21)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001118506862 934183178 /nfs/dbraw/zinc/18/31/78/934183178.db2.gz RAXJZFDNYFOCGT-FQEVSTJZSA-N 2 2 389.503 3.722 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000562047192 934657365 /nfs/dbraw/zinc/65/73/65/934657365.db2.gz PLOGTFCYIOTREO-YADHBBJMSA-N 2 2 382.458 3.994 20 0 GHADLP COc1cc(OC)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(OC)c1 ZINC000562214623 934763322 /nfs/dbraw/zinc/76/33/22/934763322.db2.gz SLNDEYUODRKPQS-VQTJNVASSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(OC)c1 ZINC000562214623 934763325 /nfs/dbraw/zinc/76/33/25/934763325.db2.gz SLNDEYUODRKPQS-VQTJNVASSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(OC)c1 ZINC000562214623 934763327 /nfs/dbraw/zinc/76/33/27/934763327.db2.gz SLNDEYUODRKPQS-VQTJNVASSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(OC)c1 ZINC000562214623 934763331 /nfs/dbraw/zinc/76/33/31/934763331.db2.gz SLNDEYUODRKPQS-VQTJNVASSA-N 2 2 396.531 3.666 20 0 GHADLP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC001461001841 1069328944 /nfs/dbraw/zinc/32/89/44/1069328944.db2.gz YVWZURMOYLRKHF-RPWUZVMVSA-N 2 2 377.576 3.946 20 0 GHADLP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC001461001841 1069328956 /nfs/dbraw/zinc/32/89/56/1069328956.db2.gz YVWZURMOYLRKHF-RPWUZVMVSA-N 2 2 377.576 3.946 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CCc2nc3c(cccc3F)n2C)C[N@H+](Cc2ccccc2)C1 ZINC000468520008 1015772705 /nfs/dbraw/zinc/77/27/05/1015772705.db2.gz VTOIGZWVEGOSTC-MJGOQNOKSA-N 2 2 380.511 3.755 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CCc2nc3c(cccc3F)n2C)C[N@@H+](Cc2ccccc2)C1 ZINC000468520008 1015772711 /nfs/dbraw/zinc/77/27/11/1015772711.db2.gz VTOIGZWVEGOSTC-MJGOQNOKSA-N 2 2 380.511 3.755 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000469765654 1016618297 /nfs/dbraw/zinc/61/82/97/1016618297.db2.gz UUNXUAPYNYIQDW-JIPZTSHUSA-N 2 2 387.474 3.650 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000469765654 1016618300 /nfs/dbraw/zinc/61/83/00/1016618300.db2.gz UUNXUAPYNYIQDW-JIPZTSHUSA-N 2 2 387.474 3.650 20 0 GHADLP Cc1cc(C)cc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2cccnc2)c1 ZINC000925092374 1017037278 /nfs/dbraw/zinc/03/72/78/1017037278.db2.gz AUGNIQKCRPCURH-HYBUGGRVSA-N 2 2 379.548 3.878 20 0 GHADLP O=C(N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001221205045 1032329281 /nfs/dbraw/zinc/32/92/81/1032329281.db2.gz ORKCDYQNFHURHW-XZOQPEGZSA-N 2 2 395.522 3.647 20 0 GHADLP O=C(N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001221205045 1032329293 /nfs/dbraw/zinc/32/92/93/1032329293.db2.gz ORKCDYQNFHURHW-XZOQPEGZSA-N 2 2 395.522 3.647 20 0 GHADLP Cc1c[nH+]c(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)nc1N1CCCC1 ZINC001155629314 1032607831 /nfs/dbraw/zinc/60/78/31/1032607831.db2.gz FUISPEYSEORPLF-DXBBTUNJSA-N 2 2 393.579 3.785 20 0 GHADLP Cc1c[nH+]c(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)nc1N1CCCC1 ZINC001155629314 1032607839 /nfs/dbraw/zinc/60/78/39/1032607839.db2.gz FUISPEYSEORPLF-DXBBTUNJSA-N 2 2 393.579 3.785 20 0 GHADLP Cc1ccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)c(-c2ccnn2C)c1 ZINC000558777312 1017283218 /nfs/dbraw/zinc/28/32/18/1017283218.db2.gz SCRAFJMAWYZGFY-UHFFFAOYSA-N 2 2 384.593 3.847 20 0 GHADLP CCCC[C@@H](CC)CCCN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001228043586 1032750139 /nfs/dbraw/zinc/75/01/39/1032750139.db2.gz PADPEBQYHQSXES-UXHICEINSA-N 2 2 380.621 3.793 20 0 GHADLP CCCC[C@@H](CC)CCCN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001228043586 1032750149 /nfs/dbraw/zinc/75/01/49/1032750149.db2.gz PADPEBQYHQSXES-UXHICEINSA-N 2 2 380.621 3.793 20 0 GHADLP O=C(Nc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1)c1ccncc1 ZINC000562747931 1018598413 /nfs/dbraw/zinc/59/84/13/1018598413.db2.gz VBIHGDVIHAKRKC-FYYLOGMGSA-N 2 2 386.499 3.917 20 0 GHADLP Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)c1 ZINC000567990690 1019364163 /nfs/dbraw/zinc/36/41/63/1019364163.db2.gz WYTOTDLHICMFOC-WDSOQIARSA-N 2 2 398.576 3.500 20 0 GHADLP Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)c1 ZINC000567990690 1019364175 /nfs/dbraw/zinc/36/41/75/1019364175.db2.gz WYTOTDLHICMFOC-WDSOQIARSA-N 2 2 398.576 3.500 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)[C@H](C)C1 ZINC000570631924 1019634627 /nfs/dbraw/zinc/63/46/27/1019634627.db2.gz WIGKDDNEPSVTGB-JRFVFWCSSA-N 3 2 399.623 3.910 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)[C@H](C)C1 ZINC000570631924 1019634641 /nfs/dbraw/zinc/63/46/41/1019634641.db2.gz WIGKDDNEPSVTGB-JRFVFWCSSA-N 3 2 399.623 3.910 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@H](C)C1 ZINC000570631924 1019634648 /nfs/dbraw/zinc/63/46/48/1019634648.db2.gz WIGKDDNEPSVTGB-JRFVFWCSSA-N 3 2 399.623 3.910 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@H](C)C1 ZINC000570631924 1019634655 /nfs/dbraw/zinc/63/46/55/1019634655.db2.gz WIGKDDNEPSVTGB-JRFVFWCSSA-N 3 2 399.623 3.910 20 0 GHADLP CCN(CC)c1cc(-n2cc(C3CC[NH2+]CC3)c3cc(OC)ccc32)nc[nH+]1 ZINC001156018538 1032843514 /nfs/dbraw/zinc/84/35/14/1032843514.db2.gz HBDXKTWSRHQIDI-UHFFFAOYSA-N 2 2 379.508 3.742 20 0 GHADLP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000571989032 1019733893 /nfs/dbraw/zinc/73/38/93/1019733893.db2.gz MQYNTIRGRYZXAZ-PZJWPPBQSA-N 2 2 385.556 3.661 20 0 GHADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000571989032 1019733906 /nfs/dbraw/zinc/73/39/06/1019733906.db2.gz MQYNTIRGRYZXAZ-PZJWPPBQSA-N 2 2 385.556 3.661 20 0 GHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000576576885 1020036998 /nfs/dbraw/zinc/03/69/98/1020036998.db2.gz MSJSPSSUPVUIJL-CYBMUJFWSA-N 2 2 382.537 3.554 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(I)cc1Cl ZINC000578918641 1020369967 /nfs/dbraw/zinc/36/99/67/1020369967.db2.gz HNJUUESXRGDAJR-UHFFFAOYSA-N 2 2 389.668 3.663 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(I)cc1Cl ZINC000578918641 1020369978 /nfs/dbraw/zinc/36/99/78/1020369978.db2.gz HNJUUESXRGDAJR-UHFFFAOYSA-N 2 2 389.668 3.663 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2Cc3ccccc3[C@@H]2C)CC1 ZINC000579634897 1020428966 /nfs/dbraw/zinc/42/89/66/1020428966.db2.gz VZAZCCPDVGKJQW-IBGZPJMESA-N 2 2 377.532 3.652 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2Cc3ccccc3[C@@H]2C)CC1 ZINC000579634897 1020428976 /nfs/dbraw/zinc/42/89/76/1020428976.db2.gz VZAZCCPDVGKJQW-IBGZPJMESA-N 2 2 377.532 3.652 20 0 GHADLP Fc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1C(F)(F)F ZINC001204485915 1032920597 /nfs/dbraw/zinc/92/05/97/1032920597.db2.gz RKTONKSMLMSPJM-UHFFFAOYSA-N 2 2 396.432 3.695 20 0 GHADLP Fc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1C(F)(F)F ZINC001204485915 1032920608 /nfs/dbraw/zinc/92/06/08/1032920608.db2.gz RKTONKSMLMSPJM-UHFFFAOYSA-N 2 2 396.432 3.695 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC001204490362 1032922666 /nfs/dbraw/zinc/92/26/66/1032922666.db2.gz WHTVTPGQGVRJCH-UHFFFAOYSA-N 2 2 381.520 3.857 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC001204490362 1032922672 /nfs/dbraw/zinc/92/26/72/1032922672.db2.gz WHTVTPGQGVRJCH-UHFFFAOYSA-N 2 2 381.520 3.857 20 0 GHADLP [NH3+]C1(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)CCOCC1 ZINC000629520784 1020755631 /nfs/dbraw/zinc/75/56/31/1020755631.db2.gz MMYCHKLNLYEJKD-SFHVURJKSA-N 2 2 375.310 3.636 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000834774491 1021461446 /nfs/dbraw/zinc/46/14/46/1021461446.db2.gz PRYRSRDKRXXCCZ-SVFBPWRDSA-N 2 2 396.535 3.928 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)s1 ZINC001140517161 1021908255 /nfs/dbraw/zinc/90/82/55/1021908255.db2.gz MEMMNJMFHGHKQC-UHFFFAOYSA-N 2 2 381.501 3.714 20 0 GHADLP CN(C(=O)CCCc1ccc2ccccc2c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678840947 1021930493 /nfs/dbraw/zinc/93/04/93/1021930493.db2.gz LHWXHDMSRHBEJG-XMMPIXPASA-N 2 2 393.575 3.789 20 0 GHADLP CN(C(=O)CCCc1ccc2ccccc2c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678840947 1021930495 /nfs/dbraw/zinc/93/04/95/1021930495.db2.gz LHWXHDMSRHBEJG-XMMPIXPASA-N 2 2 393.575 3.789 20 0 GHADLP CC(C)NC(=O)c1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001140612814 1022072127 /nfs/dbraw/zinc/07/21/27/1022072127.db2.gz FNVUSEAGAOEREZ-UHFFFAOYSA-N 2 2 379.548 3.921 20 0 GHADLP CC(C)NC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001140612814 1022072134 /nfs/dbraw/zinc/07/21/34/1022072134.db2.gz FNVUSEAGAOEREZ-UHFFFAOYSA-N 2 2 379.548 3.921 20 0 GHADLP Oc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1OC(F)F ZINC001140630031 1022111234 /nfs/dbraw/zinc/11/12/34/1022111234.db2.gz FIFYAKAQTDKWPS-MOPGFXCFSA-N 2 2 388.458 3.948 20 0 GHADLP Oc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1OC(F)F ZINC001140630031 1022111244 /nfs/dbraw/zinc/11/12/44/1022111244.db2.gz FIFYAKAQTDKWPS-MOPGFXCFSA-N 2 2 388.458 3.948 20 0 GHADLP Oc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1OC(F)F ZINC001140630031 1022111278 /nfs/dbraw/zinc/11/12/78/1022111278.db2.gz FIFYAKAQTDKWPS-MOPGFXCFSA-N 2 2 388.458 3.948 20 0 GHADLP Oc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1OC(F)F ZINC001140630031 1022111289 /nfs/dbraw/zinc/11/12/89/1022111289.db2.gz FIFYAKAQTDKWPS-MOPGFXCFSA-N 2 2 388.458 3.948 20 0 GHADLP CN(C(=O)NC1CCC(c2ccccc2)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681212505 1022268466 /nfs/dbraw/zinc/26/84/66/1022268466.db2.gz FBFXLWFKLASOFV-YDPRHXJPSA-N 2 2 398.595 3.523 20 0 GHADLP CN(C(=O)NC1CCC(c2ccccc2)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681212505 1022268469 /nfs/dbraw/zinc/26/84/69/1022268469.db2.gz FBFXLWFKLASOFV-YDPRHXJPSA-N 2 2 398.595 3.523 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000754897329 1022956128 /nfs/dbraw/zinc/95/61/28/1022956128.db2.gz FXOQGPJUIMSDEX-QUCCMNQESA-N 2 2 381.923 3.607 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000754897329 1022956136 /nfs/dbraw/zinc/95/61/36/1022956136.db2.gz FXOQGPJUIMSDEX-QUCCMNQESA-N 2 2 381.923 3.607 20 0 GHADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140962357 1023016600 /nfs/dbraw/zinc/01/66/00/1023016600.db2.gz JFGUKLCDFAOWOL-HDICACEKSA-N 2 2 391.437 3.852 20 0 GHADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140962357 1023016615 /nfs/dbraw/zinc/01/66/15/1023016615.db2.gz JFGUKLCDFAOWOL-HDICACEKSA-N 2 2 391.437 3.852 20 0 GHADLP Cc1cc(OC(F)(F)F)ccc1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001140962357 1023016625 /nfs/dbraw/zinc/01/66/25/1023016625.db2.gz JFGUKLCDFAOWOL-HDICACEKSA-N 2 2 391.437 3.852 20 0 GHADLP Cc1cc(OC(F)(F)F)ccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001140962357 1023016638 /nfs/dbraw/zinc/01/66/38/1023016638.db2.gz JFGUKLCDFAOWOL-HDICACEKSA-N 2 2 391.437 3.852 20 0 GHADLP Cc1cc(OC(F)(F)F)ccc1C[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001140965995 1023026797 /nfs/dbraw/zinc/02/67/97/1023026797.db2.gz PEBCSOBAJSRRDU-UHFFFAOYSA-N 2 2 386.458 3.969 20 0 GHADLP Cc1cc(OC(F)(F)F)ccc1C[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001140965995 1023026809 /nfs/dbraw/zinc/02/68/09/1023026809.db2.gz PEBCSOBAJSRRDU-UHFFFAOYSA-N 2 2 386.458 3.969 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3[nH]c(/C=C/c4ccccc4)nc3=S)C2)CC1 ZINC000755780130 1023374170 /nfs/dbraw/zinc/37/41/70/1023374170.db2.gz WCTONRHPYWIMGF-IHHMQQGQSA-N 2 2 383.565 3.732 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3[nH]c(/C=C/c4ccccc4)nc3=S)C2)CC1 ZINC000755780130 1023374182 /nfs/dbraw/zinc/37/41/82/1023374182.db2.gz WCTONRHPYWIMGF-IHHMQQGQSA-N 2 2 383.565 3.732 20 0 GHADLP CC(C)(C)c1cccc(C[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001141103810 1023504572 /nfs/dbraw/zinc/50/45/72/1023504572.db2.gz JVCRCHYVZIYFDC-UHFFFAOYSA-N 2 2 381.568 3.620 20 0 GHADLP CC(C)(C)c1cccc(C[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001141103810 1023504583 /nfs/dbraw/zinc/50/45/83/1023504583.db2.gz JVCRCHYVZIYFDC-UHFFFAOYSA-N 2 2 381.568 3.620 20 0 GHADLP COc1ccc2nccc(C[NH+]3C[C@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)c2c1 ZINC001141148451 1023970520 /nfs/dbraw/zinc/97/05/20/1023970520.db2.gz RWRKYQUNWJDOOG-ROUUACIJSA-N 2 2 379.529 3.869 20 0 GHADLP Cc1ccc(F)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1F ZINC001138115304 1024144488 /nfs/dbraw/zinc/14/44/88/1024144488.db2.gz HJCGIAKRCGRCMV-UHFFFAOYSA-N 2 2 376.447 3.733 20 0 GHADLP Cc1ccc(F)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1F ZINC001138115304 1024144504 /nfs/dbraw/zinc/14/45/04/1024144504.db2.gz HJCGIAKRCGRCMV-UHFFFAOYSA-N 2 2 376.447 3.733 20 0 GHADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001141230913 1024221038 /nfs/dbraw/zinc/22/10/38/1024221038.db2.gz RGYBPTSFLNFFPU-HJNYFJLDSA-N 2 2 399.970 3.615 20 0 GHADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001141230913 1024221060 /nfs/dbraw/zinc/22/10/60/1024221060.db2.gz RGYBPTSFLNFFPU-HJNYFJLDSA-N 2 2 399.970 3.615 20 0 GHADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001141230913 1024221075 /nfs/dbraw/zinc/22/10/75/1024221075.db2.gz RGYBPTSFLNFFPU-HJNYFJLDSA-N 2 2 399.970 3.615 20 0 GHADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001141230913 1024221081 /nfs/dbraw/zinc/22/10/81/1024221081.db2.gz RGYBPTSFLNFFPU-HJNYFJLDSA-N 2 2 399.970 3.615 20 0 GHADLP CN1CC[NH+](C2(c3ccc(Nc4cc[nH+]cc4C(F)(F)F)cc3)CC2)CC1 ZINC001205091872 1033245532 /nfs/dbraw/zinc/24/55/32/1033245532.db2.gz GSFVQVQYZZXDBR-UHFFFAOYSA-N 2 2 376.426 3.502 20 0 GHADLP C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1c[nH+]ccc1Nc1ccccc1)CC2 ZINC001141431386 1025031243 /nfs/dbraw/zinc/03/12/43/1025031243.db2.gz KUDQNOFIOPJPML-UHFFFAOYSA-N 2 2 392.547 3.974 20 0 GHADLP Cc1cc(C[NH+]2CCC([N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c(C)s1 ZINC001138569499 1025040680 /nfs/dbraw/zinc/04/06/80/1025040680.db2.gz IKSXCWKWJKOGSI-GOSISDBHSA-N 2 2 393.597 3.928 20 0 GHADLP Cc1cc(C[NH+]2CCC([N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c(C)s1 ZINC001138569499 1025040699 /nfs/dbraw/zinc/04/06/99/1025040699.db2.gz IKSXCWKWJKOGSI-GOSISDBHSA-N 2 2 393.597 3.928 20 0 GHADLP COc1ccc(Br)c2nc(Cl)c(C[N@@H+]3CCC[C@@H]([NH3+])CC3)cc12 ZINC001205124526 1033266361 /nfs/dbraw/zinc/26/63/61/1033266361.db2.gz UFHXXNITDXJAQG-GFCCVEGCSA-N 2 2 398.732 3.973 20 0 GHADLP COc1ccc(Br)c2nc(Cl)c(C[N@H+]3CCC[C@@H]([NH3+])CC3)cc12 ZINC001205124526 1033266369 /nfs/dbraw/zinc/26/63/69/1033266369.db2.gz UFHXXNITDXJAQG-GFCCVEGCSA-N 2 2 398.732 3.973 20 0 GHADLP Fc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001138882208 1025519599 /nfs/dbraw/zinc/51/95/99/1025519599.db2.gz OJHMNXQVMVXNSE-RBBKRZOGSA-N 2 2 398.526 3.539 20 0 GHADLP Fc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001138882208 1025519608 /nfs/dbraw/zinc/51/96/08/1025519608.db2.gz OJHMNXQVMVXNSE-RBBKRZOGSA-N 2 2 398.526 3.539 20 0 GHADLP Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001138882208 1025519614 /nfs/dbraw/zinc/51/96/14/1025519614.db2.gz OJHMNXQVMVXNSE-RBBKRZOGSA-N 2 2 398.526 3.539 20 0 GHADLP Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001138882208 1025519621 /nfs/dbraw/zinc/51/96/21/1025519621.db2.gz OJHMNXQVMVXNSE-RBBKRZOGSA-N 2 2 398.526 3.539 20 0 GHADLP CCOC(=O)Cc1ccc[nH+]c1N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001162232824 1025682785 /nfs/dbraw/zinc/68/27/85/1025682785.db2.gz DVMXCDWSIVOXAW-FQEVSTJZSA-N 2 2 385.483 3.869 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C[C@H](c2ccccc2)N2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC001461018170 1069339328 /nfs/dbraw/zinc/33/93/28/1069339328.db2.gz CLDCUXJLHLMOSZ-DNQXCXABSA-N 2 2 393.575 3.703 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C[C@H](c2ccccc2)N2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC001461018170 1069339343 /nfs/dbraw/zinc/33/93/43/1069339343.db2.gz CLDCUXJLHLMOSZ-DNQXCXABSA-N 2 2 393.575 3.703 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(OC(C)C)c3)CC2)CC1 ZINC001138983736 1025717640 /nfs/dbraw/zinc/71/76/40/1025717640.db2.gz ZMKIECVAROMXIO-UHFFFAOYSA-N 2 2 388.552 3.713 20 0 GHADLP CCOC(=O)/C=C/c1ccc[nH+]c1NCCCP(CCC[NH3+])c1ccccc1 ZINC001162464170 1025755714 /nfs/dbraw/zinc/75/57/14/1025755714.db2.gz QOKCVNIGLDPHOW-OUKQBFOZSA-N 2 2 399.475 3.616 20 0 GHADLP FC(F)(F)Oc1ccc(-c2cc[nH+]c(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC001163313676 1026139159 /nfs/dbraw/zinc/13/91/59/1026139159.db2.gz YGRFZIFSDWQVNZ-QFBILLFUSA-N 2 2 393.409 3.970 20 0 GHADLP COc1ccc2c(c1)c(C[N@@H+]1CC[C@]3(CC[NH+](C)C3)C1)cn2C(=O)OC(C)(C)C ZINC001139297857 1026150729 /nfs/dbraw/zinc/15/07/29/1026150729.db2.gz LMUKZFAGMILPOX-QHCPKHFHSA-N 2 2 399.535 3.961 20 0 GHADLP COc1ccc2c(c1)c(C[N@H+]1CC[C@]3(CC[NH+](C)C3)C1)cn2C(=O)OC(C)(C)C ZINC001139297857 1026150733 /nfs/dbraw/zinc/15/07/33/1026150733.db2.gz LMUKZFAGMILPOX-QHCPKHFHSA-N 2 2 399.535 3.961 20 0 GHADLP COc1ccc2c(c1)c(C[NH+]1CC[C@]3(CC[N@H+](C)C3)C1)cn2C(=O)OC(C)(C)C ZINC001139297857 1026150735 /nfs/dbraw/zinc/15/07/35/1026150735.db2.gz LMUKZFAGMILPOX-QHCPKHFHSA-N 2 2 399.535 3.961 20 0 GHADLP COc1ccc2c(c1)c(C[NH+]1CC[C@]3(CC[N@@H+](C)C3)C1)cn2C(=O)OC(C)(C)C ZINC001139297857 1026150740 /nfs/dbraw/zinc/15/07/40/1026150740.db2.gz LMUKZFAGMILPOX-QHCPKHFHSA-N 2 2 399.535 3.961 20 0 GHADLP CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)s2)cc1 ZINC001139324767 1026182960 /nfs/dbraw/zinc/18/29/60/1026182960.db2.gz OGPYTJOROBIKST-FQEVSTJZSA-N 2 2 386.565 3.631 20 0 GHADLP CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)s2)cc1 ZINC001139324767 1026182967 /nfs/dbraw/zinc/18/29/67/1026182967.db2.gz OGPYTJOROBIKST-FQEVSTJZSA-N 2 2 386.565 3.631 20 0 GHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001139356684 1026227383 /nfs/dbraw/zinc/22/73/83/1026227383.db2.gz QQEYEAMQJCHSTI-UHFFFAOYSA-N 2 2 384.524 3.951 20 0 GHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001139356684 1026227393 /nfs/dbraw/zinc/22/73/93/1026227393.db2.gz QQEYEAMQJCHSTI-UHFFFAOYSA-N 2 2 384.524 3.951 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001139356753 1026229030 /nfs/dbraw/zinc/22/90/30/1026229030.db2.gz SORVDXPBTRDWTH-QUCCMNQESA-N 2 2 382.508 3.704 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001139356753 1026229044 /nfs/dbraw/zinc/22/90/44/1026229044.db2.gz SORVDXPBTRDWTH-QUCCMNQESA-N 2 2 382.508 3.704 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001139358685 1026231043 /nfs/dbraw/zinc/23/10/43/1026231043.db2.gz UMIMBRKMXJBPJO-PKOBYXMFSA-N 2 2 384.524 3.855 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001139358685 1026231055 /nfs/dbraw/zinc/23/10/55/1026231055.db2.gz UMIMBRKMXJBPJO-PKOBYXMFSA-N 2 2 384.524 3.855 20 0 GHADLP Brc1cccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC001139363113 1026239087 /nfs/dbraw/zinc/23/90/87/1026239087.db2.gz WAGYIFJJPNMGOB-UHFFFAOYSA-N 2 2 397.320 3.957 20 0 GHADLP c1cc(-c2ccc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)cn2)cs1 ZINC001139497867 1026354019 /nfs/dbraw/zinc/35/40/19/1026354019.db2.gz HHHXCLAJJCFBCU-WOJBJXKFSA-N 2 2 376.529 3.769 20 0 GHADLP C[NH+](C)C1(CNc2nc(Cl)c(Cl)cc2C(F)(F)F)CC[NH+](C)CC1 ZINC001164211461 1026453324 /nfs/dbraw/zinc/45/33/24/1026453324.db2.gz ORDIKMQSTRKHTB-UHFFFAOYSA-N 2 2 385.261 3.845 20 0 GHADLP COC(=O)c1cccc2[nH]cc(C[NH+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@H]4C3)c21 ZINC001139717447 1026560546 /nfs/dbraw/zinc/56/05/46/1026560546.db2.gz DEJIGNUNBZJCIZ-IAGOWNOFSA-N 2 2 395.528 3.580 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccc3cnn(C)c3c1)CC2 ZINC001139905821 1026719631 /nfs/dbraw/zinc/71/96/31/1026719631.db2.gz BUWFHZUAMYFWDR-UHFFFAOYSA-N 2 2 393.535 3.809 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccc3cnn(C)c3c1)CC2 ZINC001139905821 1026719643 /nfs/dbraw/zinc/71/96/43/1026719643.db2.gz BUWFHZUAMYFWDR-UHFFFAOYSA-N 2 2 393.535 3.809 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001140025886 1026813203 /nfs/dbraw/zinc/81/32/03/1026813203.db2.gz FWHUQIXTYZRQQF-AZUAARDMSA-N 2 2 396.535 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001140025886 1026813209 /nfs/dbraw/zinc/81/32/09/1026813209.db2.gz FWHUQIXTYZRQQF-AZUAARDMSA-N 2 2 396.535 3.870 20 0 GHADLP CCOc1cc[nH+]c(N2CCN(Cc3cccnc3)c3[nH+]c(C)ccc3C2)c1 ZINC001166241506 1026950885 /nfs/dbraw/zinc/95/08/85/1026950885.db2.gz KYWIGWJYZQYWFT-UHFFFAOYSA-N 2 2 375.476 3.606 20 0 GHADLP Cc1ccc(C[N@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C2CC[NH+](C)CC2)o1 ZINC001203300561 1027266995 /nfs/dbraw/zinc/26/69/95/1027266995.db2.gz NUNQWKHMNWBTIJ-UHFFFAOYSA-N 2 2 391.556 3.884 20 0 GHADLP Cc1ccc(C[N@@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C2CC[NH+](C)CC2)o1 ZINC001203300561 1027267011 /nfs/dbraw/zinc/26/70/11/1027267011.db2.gz NUNQWKHMNWBTIJ-UHFFFAOYSA-N 2 2 391.556 3.884 20 0 GHADLP Brc1cc(CN2CC[NH2+]C[C@H]2c2ccccc2)ccc1-n1cc[nH+]c1 ZINC001210226690 1027391662 /nfs/dbraw/zinc/39/16/62/1027391662.db2.gz IYAHJILYAIKGCT-FQEVSTJZSA-N 2 2 397.320 3.781 20 0 GHADLP OCC[NH+]1CCN(c2ccc(Nc3ccc([NH+]4CCCCC4)cc3)cc2)CC1 ZINC001203719560 1027552334 /nfs/dbraw/zinc/55/23/34/1027552334.db2.gz PVSRLKGMXADLGQ-UHFFFAOYSA-N 2 2 380.536 3.535 20 0 GHADLP c1ccc2c(c1)CCS[C@@H]2C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001461258530 1069465901 /nfs/dbraw/zinc/46/59/01/1069465901.db2.gz XRCXAIJIPJLTAJ-HSZRJFAPSA-N 2 2 398.572 3.518 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc(Cl)cc(Cl)c4)C[C@@H]3C2)cn1 ZINC001203809019 1027623803 /nfs/dbraw/zinc/62/38/03/1027623803.db2.gz UVQOUUZEZFHEBC-SJORKVTESA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc(Cl)cc(Cl)c4)C[C@@H]3C2)cn1 ZINC001203809019 1027623811 /nfs/dbraw/zinc/62/38/11/1027623811.db2.gz UVQOUUZEZFHEBC-SJORKVTESA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc(Cl)cc(Cl)c4)C[C@@H]3C2)cn1 ZINC001203809019 1027623819 /nfs/dbraw/zinc/62/38/19/1027623819.db2.gz UVQOUUZEZFHEBC-SJORKVTESA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc(Cl)cc(Cl)c4)C[C@@H]3C2)cn1 ZINC001203809019 1027623833 /nfs/dbraw/zinc/62/38/33/1027623833.db2.gz UVQOUUZEZFHEBC-SJORKVTESA-N 2 2 379.335 3.681 20 0 GHADLP NC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)CC1 ZINC001203815019 1027629807 /nfs/dbraw/zinc/62/98/07/1027629807.db2.gz IWSRVKOMOOCXOE-UHFFFAOYSA-N 2 2 393.531 3.641 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]Cc2ccc(CC[NH3+])cc2)cs1)c1ccc(C)cc1 ZINC000841032624 1028056824 /nfs/dbraw/zinc/05/68/24/1028056824.db2.gz UUKWBNUMHHSGTC-UHFFFAOYSA-N 2 2 394.544 3.927 20 0 GHADLP Cc1cc(C)c(Nc2ccc(N3CCC([NH+]4CCN(C)CC4)CC3)cc2)c[nH+]1 ZINC001213515769 1028237705 /nfs/dbraw/zinc/23/77/05/1028237705.db2.gz JTRXKKXPEHFPCJ-UHFFFAOYSA-N 2 2 379.552 3.658 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccccc3-c3ccccc3)C2)C1 ZINC001142334892 1028714485 /nfs/dbraw/zinc/71/44/85/1028714485.db2.gz MGLBFMCZIWWZSK-VWLOTQADSA-N 2 2 394.559 3.914 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccccc3-c3ccccc3)C2)C1 ZINC001142334892 1028714500 /nfs/dbraw/zinc/71/45/00/1028714500.db2.gz MGLBFMCZIWWZSK-VWLOTQADSA-N 2 2 394.559 3.914 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccccc3-c3ccccc3)C2)C1 ZINC001142334892 1028714516 /nfs/dbraw/zinc/71/45/16/1028714516.db2.gz MGLBFMCZIWWZSK-VWLOTQADSA-N 2 2 394.559 3.914 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccccc3-c3ccccc3)C2)C1 ZINC001142334892 1028714532 /nfs/dbraw/zinc/71/45/32/1028714532.db2.gz MGLBFMCZIWWZSK-VWLOTQADSA-N 2 2 394.559 3.914 20 0 GHADLP O=C(/C=C/c1ccc(Cn2cc[nH+]c2)cc1)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001142367995 1028767161 /nfs/dbraw/zinc/76/71/61/1028767161.db2.gz FJQMKXAYQVDOJE-MDZDMXLPSA-N 2 2 398.510 3.613 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]cc2-c2nc(-c3ccc(Cl)cc3Cl)no2)CC1 ZINC001214671935 1028850531 /nfs/dbraw/zinc/85/05/31/1028850531.db2.gz POXMFSFAWUVXEV-UHFFFAOYSA-N 2 2 390.274 3.857 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001215550431 1029276316 /nfs/dbraw/zinc/27/63/16/1029276316.db2.gz ORGBFMXBUNLWIA-UHFFFAOYSA-N 2 2 381.520 3.867 20 0 GHADLP CC(C)C[NH2+]Cc1ccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)cc1 ZINC001215746723 1029379251 /nfs/dbraw/zinc/37/92/51/1029379251.db2.gz OUGHSXYAIMNXDP-UHFFFAOYSA-N 2 2 394.563 3.697 20 0 GHADLP CNc1cc(Nc2ccc[nH+]c2N2CCC(NC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC001216334155 1029607293 /nfs/dbraw/zinc/60/72/93/1029607293.db2.gz PCAHIAHKHJVARW-UHFFFAOYSA-N 2 2 398.511 3.755 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@H](Cn3cc[nH+]c3)C(C)(C)C)C[C@H]2C1 ZINC000842831106 1029615962 /nfs/dbraw/zinc/61/59/62/1029615962.db2.gz QZBYIFYYIFJULB-CADBVGFASA-N 2 2 390.572 3.923 20 0 GHADLP c1cn(-c2ccccc2-c2noc(-c3ccc(OC4CC[NH2+]CC4)cc3)n2)c[nH+]1 ZINC001216698769 1029733725 /nfs/dbraw/zinc/73/37/25/1029733725.db2.gz CTESOWQDPBFDEN-UHFFFAOYSA-N 2 2 387.443 3.720 20 0 GHADLP COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)Cc2ccc3[nH+]ccn3c2)cc1 ZINC001143033776 1029796264 /nfs/dbraw/zinc/79/62/64/1029796264.db2.gz HRQOTKLDEHAVGM-NRFANRHFSA-N 2 2 378.520 3.829 20 0 GHADLP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)Cc2ccc3[nH+]ccn3c2)cc1 ZINC001143033776 1029796271 /nfs/dbraw/zinc/79/62/71/1029796271.db2.gz HRQOTKLDEHAVGM-NRFANRHFSA-N 2 2 378.520 3.829 20 0 GHADLP c1ccc(COc2cc(C[N@@H+]3CCC[C@]4(CCC[NH2+]C4)C3)cc3c2OCO3)cc1 ZINC001222277707 1030044610 /nfs/dbraw/zinc/04/46/10/1030044610.db2.gz QTCLCDILSDRQAX-DEOSSOPVSA-N 2 2 394.515 3.960 20 0 GHADLP c1ccc(COc2cc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)cc3c2OCO3)cc1 ZINC001222277707 1030044625 /nfs/dbraw/zinc/04/46/25/1030044625.db2.gz QTCLCDILSDRQAX-DEOSSOPVSA-N 2 2 394.515 3.960 20 0 GHADLP Fc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1OC(F)(F)F ZINC001222609485 1030232990 /nfs/dbraw/zinc/23/29/90/1030232990.db2.gz OZOAJKSJMPJIMY-INIZCTEOSA-N 2 2 380.385 3.913 20 0 GHADLP Fc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1OC(F)(F)F ZINC001222609485 1030233006 /nfs/dbraw/zinc/23/30/06/1030233006.db2.gz OZOAJKSJMPJIMY-INIZCTEOSA-N 2 2 380.385 3.913 20 0 GHADLP CC(C)C[C@H](C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)n1cc[nH+]c1 ZINC001150331349 1030491468 /nfs/dbraw/zinc/49/14/68/1030491468.db2.gz PAVBJCWLUUAQMP-OAQYLSRUSA-N 2 2 384.524 3.974 20 0 GHADLP FC(F)(F)[C@@H]1CC[C@@H](c2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)[NH2+]C1 ZINC001217707108 1030618346 /nfs/dbraw/zinc/61/83/46/1030618346.db2.gz ROSKLFKUHNUFEW-OAGGEKHMSA-N 2 2 380.414 3.662 20 0 GHADLP FC(F)(F)[C@@H]1CC[C@@H](c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)[NH2+]C1 ZINC001217707108 1030618361 /nfs/dbraw/zinc/61/83/61/1030618361.db2.gz ROSKLFKUHNUFEW-OAGGEKHMSA-N 2 2 380.414 3.662 20 0 GHADLP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC001151734216 1030986960 /nfs/dbraw/zinc/98/69/60/1030986960.db2.gz XFUWOYHRKWPOGR-CUWPLCDZSA-N 2 2 388.600 3.616 20 0 GHADLP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC001151734216 1030986968 /nfs/dbraw/zinc/98/69/68/1030986968.db2.gz XFUWOYHRKWPOGR-CUWPLCDZSA-N 2 2 388.600 3.616 20 0 GHADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001151970336 1031062273 /nfs/dbraw/zinc/06/22/73/1031062273.db2.gz QOKIQICBFKUCAB-UHFFFAOYSA-N 2 2 383.411 3.710 20 0 GHADLP Nc1ccc(-c2ccc(NC(=O)C[NH2+]C3CC[NH2+]CC3)cc2Cl)c(Cl)c1 ZINC001218863190 1031124466 /nfs/dbraw/zinc/12/44/66/1031124466.db2.gz ZIMMERGJIUSJIB-UHFFFAOYSA-N 2 2 393.318 3.523 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)c1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1Cl ZINC001152207241 1031147748 /nfs/dbraw/zinc/14/77/48/1031147748.db2.gz VEXGJTUKDZXLIY-QGZVFWFLSA-N 2 2 377.275 3.674 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[NH2+]Cc2ccsc21)c1ccccc1Cl ZINC001219825624 1031638892 /nfs/dbraw/zinc/63/88/92/1031638892.db2.gz LVQQIFBEJIIOMI-DLBZAZTESA-N 2 2 377.941 3.745 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc3cnn([C@@H]4CCCCO4)c3c2)C1 ZINC001206676646 1033941168 /nfs/dbraw/zinc/94/11/68/1033941168.db2.gz WLQHSNSVCQLJCZ-REWPJTCUSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc3cnn([C@@H]4CCCCO4)c3c2)C1 ZINC001206676646 1033941173 /nfs/dbraw/zinc/94/11/73/1033941173.db2.gz WLQHSNSVCQLJCZ-REWPJTCUSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3cnn([C@@H]4CCCCO4)c3c2)C1 ZINC001206676645 1033941240 /nfs/dbraw/zinc/94/12/40/1033941240.db2.gz WLQHSNSVCQLJCZ-OFNKIYASSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3cnn([C@@H]4CCCCO4)c3c2)C1 ZINC001206676645 1033941246 /nfs/dbraw/zinc/94/12/46/1033941246.db2.gz WLQHSNSVCQLJCZ-OFNKIYASSA-N 2 2 376.504 3.935 20 0 GHADLP COc1cc2[nH+]c(N(Cc3cccnc3)[C@H]3CC[C@H]([NH3+])CC3)ccc2c(OC)c1 ZINC001158172135 1033951498 /nfs/dbraw/zinc/95/14/98/1033951498.db2.gz APMDEONPBJQINW-IYARVYRRSA-N 2 2 392.503 3.924 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3cnc(-c4ccccc4)c(-c4ccccc4)n3)CC2)C1 ZINC001158260421 1033991436 /nfs/dbraw/zinc/99/14/36/1033991436.db2.gz DROGWJVXHWQYRF-NRFANRHFSA-N 2 2 399.542 3.812 20 0 GHADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3cnc(-c4ccccc4)c(-c4ccccc4)n3)CC2)C1 ZINC001158260421 1033991442 /nfs/dbraw/zinc/99/14/42/1033991442.db2.gz DROGWJVXHWQYRF-NRFANRHFSA-N 2 2 399.542 3.812 20 0 GHADLP C[NH+]1CCC(N(Cc2ccc(F)cc2)c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC001158453590 1034085021 /nfs/dbraw/zinc/08/50/21/1034085021.db2.gz AHCXUKXSDXYATL-UHFFFAOYSA-N 2 2 383.515 3.707 20 0 GHADLP CCCCC[N@H+](CCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)Cc1ccccc1 ZINC001230696542 1034185640 /nfs/dbraw/zinc/18/56/40/1034185640.db2.gz CYCRSCMXHTVAPO-UHFFFAOYSA-N 2 2 397.567 3.991 20 0 GHADLP CCCCC[N@@H+](CCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)Cc1ccccc1 ZINC001230696542 1034185649 /nfs/dbraw/zinc/18/56/49/1034185649.db2.gz CYCRSCMXHTVAPO-UHFFFAOYSA-N 2 2 397.567 3.991 20 0 GHADLP CCCCC[N@H+](CCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)Cc1ccccc1 ZINC001230696542 1034185654 /nfs/dbraw/zinc/18/56/54/1034185654.db2.gz CYCRSCMXHTVAPO-UHFFFAOYSA-N 2 2 397.567 3.991 20 0 GHADLP CCCCC[N@@H+](CCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)Cc1ccccc1 ZINC001230696542 1034185662 /nfs/dbraw/zinc/18/56/62/1034185662.db2.gz CYCRSCMXHTVAPO-UHFFFAOYSA-N 2 2 397.567 3.991 20 0 GHADLP Ic1ccc2[nH+]ccc(Nc3ccc4c(c3)C[NH2+]C4)c2c1 ZINC001159364761 1034566101 /nfs/dbraw/zinc/56/61/01/1034566101.db2.gz WLHPQRWNPOJWHF-UHFFFAOYSA-N 2 2 387.224 3.608 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](CC4(C[NH+](C)C)CCCC4)CC3)C2)cc1 ZINC001208187286 1034785156 /nfs/dbraw/zinc/78/51/56/1034785156.db2.gz UFSQDDCKCABVLL-UHFFFAOYSA-N 3 2 399.623 3.784 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](CC4(C[NH+](C)C)CCCC4)CC3)C2)cc1 ZINC001208187286 1034785175 /nfs/dbraw/zinc/78/51/75/1034785175.db2.gz UFSQDDCKCABVLL-UHFFFAOYSA-N 3 2 399.623 3.784 20 0 GHADLP c1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)ccc1CC1CC[NH2+]CC1 ZINC001160015402 1034830691 /nfs/dbraw/zinc/83/06/91/1034830691.db2.gz UPMCQIHUHRFBFV-UHFFFAOYSA-N 2 2 395.547 3.683 20 0 GHADLP c1ccc(Nc2ccccc2OCC2CC[NH2+]CC2)c(C[NH+]2CCOCC2)c1 ZINC001160188113 1034895358 /nfs/dbraw/zinc/89/53/58/1034895358.db2.gz LQEQAQJEGKTIGV-UHFFFAOYSA-N 2 2 381.520 3.641 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3SC)CC2)C1 ZINC001231782392 1034905539 /nfs/dbraw/zinc/90/55/39/1034905539.db2.gz JCMBVKNPBVTUDO-GOSISDBHSA-N 2 2 376.566 3.648 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3SC)CC2)C1 ZINC001231782392 1034905540 /nfs/dbraw/zinc/90/55/40/1034905540.db2.gz JCMBVKNPBVTUDO-GOSISDBHSA-N 2 2 376.566 3.648 20 0 GHADLP C[N@@H+]1CCC[C@H](C[NH+]2CCC(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001208614092 1034955051 /nfs/dbraw/zinc/95/50/51/1034955051.db2.gz JQXZMZYCMUKBCD-HNNXBMFYSA-N 2 2 384.442 3.822 20 0 GHADLP C[N@H+]1CCC[C@H](C[NH+]2CCC(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001208614092 1034955056 /nfs/dbraw/zinc/95/50/56/1034955056.db2.gz JQXZMZYCMUKBCD-HNNXBMFYSA-N 2 2 384.442 3.822 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4c3OCCO4)C[C@H]21 ZINC001231885438 1034967853 /nfs/dbraw/zinc/96/78/53/1034967853.db2.gz MHNBPYGJDOCRQC-STZQEDGTSA-N 2 2 393.531 3.585 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4c3OCCO4)C[C@H]21 ZINC001231885438 1034967859 /nfs/dbraw/zinc/96/78/59/1034967859.db2.gz MHNBPYGJDOCRQC-STZQEDGTSA-N 2 2 393.531 3.585 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4c3OCCO4)C[C@H]21 ZINC001231885438 1034967865 /nfs/dbraw/zinc/96/78/65/1034967865.db2.gz MHNBPYGJDOCRQC-STZQEDGTSA-N 2 2 393.531 3.585 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3OCCO4)C[C@H]21 ZINC001231885438 1034967870 /nfs/dbraw/zinc/96/78/70/1034967870.db2.gz MHNBPYGJDOCRQC-STZQEDGTSA-N 2 2 393.531 3.585 20 0 GHADLP c1ccc(COCCCCC[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208811636 1035034049 /nfs/dbraw/zinc/03/40/49/1035034049.db2.gz OLHSUCXCKLRRKH-PSWAGMNNSA-N 2 2 379.548 3.832 20 0 GHADLP c1ccc(COCCCCC[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208811636 1035034057 /nfs/dbraw/zinc/03/40/57/1035034057.db2.gz OLHSUCXCKLRRKH-PSWAGMNNSA-N 2 2 379.548 3.832 20 0 GHADLP c1ccc(COCCCCC[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208811636 1035034064 /nfs/dbraw/zinc/03/40/64/1035034064.db2.gz OLHSUCXCKLRRKH-PSWAGMNNSA-N 2 2 379.548 3.832 20 0 GHADLP c1ccc(COCCCCC[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208811636 1035034071 /nfs/dbraw/zinc/03/40/71/1035034071.db2.gz OLHSUCXCKLRRKH-PSWAGMNNSA-N 2 2 379.548 3.832 20 0 GHADLP CC(C)(C)OC(=O)N1CC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC12CC2 ZINC001208951873 1035123534 /nfs/dbraw/zinc/12/35/34/1035123534.db2.gz FRELPZNEQJEIGH-HXUWFJFHSA-N 2 2 385.552 3.594 20 0 GHADLP CC(C)(C)OC(=O)N1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC12CC2 ZINC001208951873 1035123536 /nfs/dbraw/zinc/12/35/36/1035123536.db2.gz FRELPZNEQJEIGH-HXUWFJFHSA-N 2 2 385.552 3.594 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC12CC2 ZINC001208951873 1035123540 /nfs/dbraw/zinc/12/35/40/1035123540.db2.gz FRELPZNEQJEIGH-HXUWFJFHSA-N 2 2 385.552 3.594 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC12CC2 ZINC001208951873 1035123542 /nfs/dbraw/zinc/12/35/42/1035123542.db2.gz FRELPZNEQJEIGH-HXUWFJFHSA-N 2 2 385.552 3.594 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(CN2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC001232148138 1035126373 /nfs/dbraw/zinc/12/63/73/1035126373.db2.gz WSFIUGCVCGNCDV-UHFFFAOYSA-N 2 2 375.919 3.859 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)c1 ZINC001232148138 1035126379 /nfs/dbraw/zinc/12/63/79/1035126379.db2.gz WSFIUGCVCGNCDV-UHFFFAOYSA-N 2 2 375.919 3.859 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3CC[NH+](C[C@H]4CC[N@H+](Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001208956851 1035128787 /nfs/dbraw/zinc/12/87/87/1035128787.db2.gz JCCGOZDHPFSDGR-KKUQBAQOSA-N 3 2 389.587 3.962 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3CC[NH+](C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001208956851 1035128792 /nfs/dbraw/zinc/12/87/92/1035128792.db2.gz JCCGOZDHPFSDGR-KKUQBAQOSA-N 3 2 389.587 3.962 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)C2)cc1 ZINC001208956851 1035128797 /nfs/dbraw/zinc/12/87/97/1035128797.db2.gz JCCGOZDHPFSDGR-KKUQBAQOSA-N 3 2 389.587 3.962 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)C2)cc1 ZINC001208956851 1035128800 /nfs/dbraw/zinc/12/88/00/1035128800.db2.gz JCCGOZDHPFSDGR-KKUQBAQOSA-N 3 2 389.587 3.962 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@@H+]2C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208961346 1035132599 /nfs/dbraw/zinc/13/25/99/1035132599.db2.gz ZMKIMRYKQXITAZ-HKBOAZHASA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@H+]2C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208961346 1035132603 /nfs/dbraw/zinc/13/26/03/1035132603.db2.gz ZMKIMRYKQXITAZ-HKBOAZHASA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[NH+]2C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208961346 1035132605 /nfs/dbraw/zinc/13/26/05/1035132605.db2.gz ZMKIMRYKQXITAZ-HKBOAZHASA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[NH+]2C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208961346 1035132610 /nfs/dbraw/zinc/13/26/10/1035132610.db2.gz ZMKIMRYKQXITAZ-HKBOAZHASA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)c1cc(C[NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)ccn1 ZINC001232216810 1035166017 /nfs/dbraw/zinc/16/60/17/1035166017.db2.gz GUHMQKXNJHEENJ-UHFFFAOYSA-N 2 2 380.536 3.646 20 0 GHADLP COC(=O)CCCCCCCCC[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001209093989 1035169605 /nfs/dbraw/zinc/16/96/05/1035169605.db2.gz CCBZVVINRANTMG-VXKWHMMOSA-N 2 2 387.568 3.739 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]2c2ccc(OC(F)(F)F)cc2)cc1 ZINC001161252490 1035193849 /nfs/dbraw/zinc/19/38/49/1035193849.db2.gz LFKJXEUQYXYYIG-ZWKOTPCHSA-N 2 2 393.409 3.521 20 0 GHADLP CCOC(=O)CCCCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001209348823 1035248643 /nfs/dbraw/zinc/24/86/43/1035248643.db2.gz ORERCAMQGWUPLA-QZTJIDSGSA-N 2 2 379.570 3.553 20 0 GHADLP CCOC(=O)CCCCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001209348823 1035248647 /nfs/dbraw/zinc/24/86/47/1035248647.db2.gz ORERCAMQGWUPLA-QZTJIDSGSA-N 2 2 379.570 3.553 20 0 GHADLP CCOC(=O)CCCCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001209348823 1035248652 /nfs/dbraw/zinc/24/86/52/1035248652.db2.gz ORERCAMQGWUPLA-QZTJIDSGSA-N 2 2 379.570 3.553 20 0 GHADLP CCOC(=O)CCCCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001209348823 1035248657 /nfs/dbraw/zinc/24/86/57/1035248657.db2.gz ORERCAMQGWUPLA-QZTJIDSGSA-N 2 2 379.570 3.553 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3c[nH]c4ccc(C)cc34)CC2)CC1 ZINC001209490747 1035290759 /nfs/dbraw/zinc/29/07/59/1035290759.db2.gz FXPFOQHNQRDPQY-UHFFFAOYSA-N 2 2 383.536 3.716 20 0 GHADLP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC001161860838 1035316602 /nfs/dbraw/zinc/31/66/02/1035316602.db2.gz BVIGLULIUWSQPZ-OAQYLSRUSA-N 2 2 382.508 3.758 20 0 GHADLP CC[NH+]1CCN(c2ccc(-c3ncnc4c3C[N@H+](Cc3ccccc3)C4)cc2)CC1 ZINC001241740456 1035667268 /nfs/dbraw/zinc/66/72/68/1035667268.db2.gz KZOMFPSNGVQYQD-UHFFFAOYSA-N 2 2 399.542 3.801 20 0 GHADLP CC[NH+]1CCN(c2ccc(-c3ncnc4c3C[N@@H+](Cc3ccccc3)C4)cc2)CC1 ZINC001241740456 1035667287 /nfs/dbraw/zinc/66/72/87/1035667287.db2.gz KZOMFPSNGVQYQD-UHFFFAOYSA-N 2 2 399.542 3.801 20 0 GHADLP [NH3+][C@@H](Cc1nc(-c2ccccc2-n2cc[nH+]c2)no1)Cc1cccc(Cl)c1 ZINC001248233636 1035671509 /nfs/dbraw/zinc/67/15/09/1035671509.db2.gz OKEVZMWOMCEDFU-MRXNPFEDSA-N 2 2 379.851 3.688 20 0 GHADLP Fc1ccc(C2(c3nc(-c4ccccc4-n4cc[nH+]c4)no3)CC[NH2+]CC2)cc1 ZINC001248555478 1035952249 /nfs/dbraw/zinc/95/22/49/1035952249.db2.gz XYDQCUCKEPFGTH-UHFFFAOYSA-N 2 2 389.434 3.731 20 0 GHADLP Fc1cc(OCC[NH+]2CCOCC2)ccc1-c1ccc([C@@H]2CCC[NH2+]2)c(F)c1 ZINC001244139052 1036393779 /nfs/dbraw/zinc/39/37/79/1036393779.db2.gz ZTINQYGMPNXFKO-QFIPXVFZSA-N 2 2 388.458 3.767 20 0 GHADLP C[C@]1([NH2+]C[C@H](O)c2cc(Cl)cc3c2-c2ccc(Cl)cc2C3)CC[NH2+]C1 ZINC001245993162 1037114725 /nfs/dbraw/zinc/11/47/25/1037114725.db2.gz NASMJSDOUJOSEZ-ICSRJNTNSA-N 2 2 377.315 3.940 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@H](C[NH3+])c2ccccc2)CC1 ZINC001246079340 1037189347 /nfs/dbraw/zinc/18/93/47/1037189347.db2.gz YGHFFGZBQWPOBL-SNCIUUNGSA-N 2 2 386.923 3.983 20 0 GHADLP [NH3+]Cc1ccc(OCCCCCOc2ccc(C[NH2+][C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC001246204426 1037237137 /nfs/dbraw/zinc/23/71/37/1037237137.db2.gz ZTJSIDBNORAUOZ-JOCHJYFZSA-N 3 2 397.563 3.615 20 0 GHADLP C[C@]1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH2+]CC1(F)F ZINC001246218578 1037243655 /nfs/dbraw/zinc/24/36/55/1037243655.db2.gz BOSUSCPCCUIHGE-MXEMCNAFSA-N 3 2 377.523 3.797 20 0 GHADLP C[C@]1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH2+]CC1(F)F ZINC001246218578 1037243677 /nfs/dbraw/zinc/24/36/77/1037243677.db2.gz BOSUSCPCCUIHGE-MXEMCNAFSA-N 3 2 377.523 3.797 20 0 GHADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2C(=O)OC)CC[NH2+]1 ZINC001246283120 1037275320 /nfs/dbraw/zinc/27/53/20/1037275320.db2.gz ZVHBLVNJXCPBCQ-HOTGVXAUSA-N 2 2 383.330 3.636 20 0 GHADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC)cc2Br)CC[NH2+]1 ZINC001246357132 1037315083 /nfs/dbraw/zinc/31/50/83/1037315083.db2.gz WLWYHPDNWTVJEJ-CVEARBPZSA-N 2 2 383.330 3.636 20 0 GHADLP COc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)cc1 ZINC001246360005 1037317386 /nfs/dbraw/zinc/31/73/86/1037317386.db2.gz DKNHDLLBTRXZFV-AWRGLXIESA-N 2 2 397.538 3.800 20 0 GHADLP Clc1ccccc1CC1([NH2+][C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246382360 1037342874 /nfs/dbraw/zinc/34/28/74/1037342874.db2.gz WJYJRFXZEJBUIP-VXKWHMMOSA-N 3 2 397.994 3.958 20 0 GHADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@H]2CCc3ccc(Br)cc3C2)c1 ZINC001246513022 1037449494 /nfs/dbraw/zinc/44/94/94/1037449494.db2.gz UQTWXYFVFIECBN-PKOBYXMFSA-N 2 2 375.310 3.605 20 0 GHADLP COc1cc(NC(=O)[C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc2ccccc21 ZINC001246518520 1037452838 /nfs/dbraw/zinc/45/28/38/1037452838.db2.gz HNZYCSASRRBIBO-HZUJVAHNSA-N 2 2 383.536 3.932 20 0 GHADLP COc1ccccc1N1CC[NH+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)CC1 ZINC001246535762 1037470134 /nfs/dbraw/zinc/47/01/34/1037470134.db2.gz KPUKXDVQPQFDTO-CTNGQTDRSA-N 2 2 383.511 3.758 20 0 GHADLP COc1cccc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)c1 ZINC001246538751 1037470306 /nfs/dbraw/zinc/47/03/06/1037470306.db2.gz NQKVSJZZWCFHSG-NZQKXSOJSA-N 2 2 383.511 3.758 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246622190 1037512381 /nfs/dbraw/zinc/51/23/81/1037512381.db2.gz XVKNUTUBEPHWPK-GGAORHGYSA-N 3 2 387.612 3.910 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246622190 1037512395 /nfs/dbraw/zinc/51/23/95/1037512395.db2.gz XVKNUTUBEPHWPK-GGAORHGYSA-N 3 2 387.612 3.910 20 0 GHADLP c1ccc(C[C@H]2C[C@H]([NH+]3CCN(c4nsc5ccccc54)CC3)CC[NH2+]2)cc1 ZINC001246683104 1037545596 /nfs/dbraw/zinc/54/55/96/1037545596.db2.gz ZFXYOVAQJSNYBI-VQTJNVASSA-N 2 2 392.572 3.782 20 0 GHADLP C[C@@H]1CC[C@@H]([NH+]2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)C[NH2+]1 ZINC001246694325 1037552378 /nfs/dbraw/zinc/55/23/78/1037552378.db2.gz LUVTXLQBIBWESL-YLJYHZDGSA-N 2 2 389.547 3.955 20 0 GHADLP C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246724009 1037575516 /nfs/dbraw/zinc/57/55/16/1037575516.db2.gz WBAWNUVHQZTDOY-QMHWCDLVSA-N 2 2 386.584 3.889 20 0 GHADLP C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246724009 1037575535 /nfs/dbraw/zinc/57/55/35/1037575535.db2.gz WBAWNUVHQZTDOY-QMHWCDLVSA-N 2 2 386.584 3.889 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)CC[NH2+]1 ZINC001246770393 1037612448 /nfs/dbraw/zinc/61/24/48/1037612448.db2.gz JUDCUEUENYMIKX-VIZSFHNOSA-N 2 2 398.551 3.547 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)CC[NH2+]1 ZINC001246770393 1037612461 /nfs/dbraw/zinc/61/24/61/1037612461.db2.gz JUDCUEUENYMIKX-VIZSFHNOSA-N 2 2 398.551 3.547 20 0 GHADLP Clc1ccc(CN2CC[NH+]([C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246836415 1037666197 /nfs/dbraw/zinc/66/61/97/1037666197.db2.gz WOADGIOBLITSII-GOTSBHOMSA-N 2 2 383.967 3.821 20 0 GHADLP Clc1ccc(C[NH+]2CCN([C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246836415 1037666201 /nfs/dbraw/zinc/66/62/01/1037666201.db2.gz WOADGIOBLITSII-GOTSBHOMSA-N 2 2 383.967 3.821 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)CC[NH2+]1 ZINC001246852169 1037678189 /nfs/dbraw/zinc/67/81/89/1037678189.db2.gz NNTDHFWYKPZHCG-UYAOXDASSA-N 2 2 388.918 3.798 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC001462205387 1070081533 /nfs/dbraw/zinc/08/15/33/1070081533.db2.gz WZGMDMRACVHMMQ-QFBILLFUSA-N 2 2 379.976 3.787 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001462205387 1070081554 /nfs/dbraw/zinc/08/15/54/1070081554.db2.gz WZGMDMRACVHMMQ-QFBILLFUSA-N 2 2 379.976 3.787 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[N@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246936205 1037738785 /nfs/dbraw/zinc/73/87/85/1037738785.db2.gz MRLOMXVEOYRJIF-HTAPYJJXSA-N 2 2 384.495 3.798 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246936205 1037738812 /nfs/dbraw/zinc/73/88/12/1037738812.db2.gz MRLOMXVEOYRJIF-HTAPYJJXSA-N 2 2 384.495 3.798 20 0 GHADLP Cc1ccc(-c2noc([C@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)c2ccccc12 ZINC001247128419 1037937149 /nfs/dbraw/zinc/93/71/49/1037937149.db2.gz VTOOYQLXRXZYSA-LJQANCHMSA-N 2 2 385.471 3.813 20 0 GHADLP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(C)n1 ZINC001232311708 1038072301 /nfs/dbraw/zinc/07/23/01/1038072301.db2.gz MFIZLIVPJAATGV-ACIOBRDBSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(C)n1 ZINC001232311708 1038072328 /nfs/dbraw/zinc/07/23/28/1038072328.db2.gz MFIZLIVPJAATGV-ACIOBRDBSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(C)n1 ZINC001232311708 1038072335 /nfs/dbraw/zinc/07/23/35/1038072335.db2.gz MFIZLIVPJAATGV-ACIOBRDBSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(C)n1 ZINC001232311708 1038072344 /nfs/dbraw/zinc/07/23/44/1038072344.db2.gz MFIZLIVPJAATGV-ACIOBRDBSA-N 2 2 394.563 3.916 20 0 GHADLP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(OCc3ccccc3)nc2)CC1 ZINC001232357931 1038137304 /nfs/dbraw/zinc/13/73/04/1038137304.db2.gz WZNRPWNLKHHHGI-UHFFFAOYSA-N 2 2 396.579 3.510 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3c[nH]c4nccc(Cl)c34)C2)C1 ZINC001232455400 1038240203 /nfs/dbraw/zinc/24/02/03/1038240203.db2.gz QWQFIWPTQUSYJS-FQEVSTJZSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3c[nH]c4nccc(Cl)c34)C2)C1 ZINC001232455400 1038240214 /nfs/dbraw/zinc/24/02/14/1038240214.db2.gz QWQFIWPTQUSYJS-FQEVSTJZSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3c[nH]c4nccc(Cl)c34)C2)C1 ZINC001232455400 1038240225 /nfs/dbraw/zinc/24/02/25/1038240225.db2.gz QWQFIWPTQUSYJS-FQEVSTJZSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3c[nH]c4nccc(Cl)c34)C2)C1 ZINC001232455400 1038240244 /nfs/dbraw/zinc/24/02/44/1038240244.db2.gz QWQFIWPTQUSYJS-FQEVSTJZSA-N 2 2 376.932 3.539 20 0 GHADLP O=C1N(CCn2cc[nH+]c2)CC[C@]12CCC[N@@H+](Cc1cc(Cl)cs1)CC2 ZINC001277672815 1038269053 /nfs/dbraw/zinc/26/90/53/1038269053.db2.gz HCLLGIMQQDXJRK-LJQANCHMSA-N 2 2 392.956 3.503 20 0 GHADLP O=C1N(CCn2cc[nH+]c2)CC[C@]12CCC[N@H+](Cc1cc(Cl)cs1)CC2 ZINC001277672815 1038269059 /nfs/dbraw/zinc/26/90/59/1038269059.db2.gz HCLLGIMQQDXJRK-LJQANCHMSA-N 2 2 392.956 3.503 20 0 GHADLP Cc1cc(-c2noc(-c3ccc([C@H]([NH3+])C[NH3+])cc3)n2)c(F)cc1Br ZINC001247702412 1038341456 /nfs/dbraw/zinc/34/14/56/1038341456.db2.gz XVWGMGBSPIXGLK-OAHLLOKOSA-N 2 2 391.244 3.572 20 0 GHADLP CCOc1ccnc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001232581088 1038349981 /nfs/dbraw/zinc/34/99/81/1038349981.db2.gz JSZYOYKVXGIDQN-OFAXGOBFSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ccnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001232581088 1038349999 /nfs/dbraw/zinc/34/99/99/1038349999.db2.gz JSZYOYKVXGIDQN-OFAXGOBFSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ccnc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001232581088 1038350013 /nfs/dbraw/zinc/35/00/13/1038350013.db2.gz JSZYOYKVXGIDQN-OFAXGOBFSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ccnc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001232581088 1038350030 /nfs/dbraw/zinc/35/00/30/1038350030.db2.gz JSZYOYKVXGIDQN-OFAXGOBFSA-N 2 2 380.536 3.608 20 0 GHADLP CC[N@H+](Cc1ccc(Br)c2ccc(OC)nc12)C1CC[NH+](C)CC1 ZINC001232644513 1038430350 /nfs/dbraw/zinc/43/03/50/1038430350.db2.gz BWAUPCLKQRIYDY-UHFFFAOYSA-N 2 2 392.341 3.922 20 0 GHADLP CC[N@@H+](Cc1ccc(Br)c2ccc(OC)nc12)C1CC[NH+](C)CC1 ZINC001232644513 1038430359 /nfs/dbraw/zinc/43/03/59/1038430359.db2.gz BWAUPCLKQRIYDY-UHFFFAOYSA-N 2 2 392.341 3.922 20 0 GHADLP c1cn(-c2ccccc2-c2noc(C3=CC4(CC[NH2+]CC4)c4ccccc43)n2)c[nH+]1 ZINC001247879369 1038444802 /nfs/dbraw/zinc/44/48/02/1038444802.db2.gz CQSVJRMWIGQILC-UHFFFAOYSA-N 2 2 395.466 3.989 20 0 GHADLP CCOc1c(Cl)cc(C[N@H+](CCOC)C2CC[NH+](C)CC2)cc1Cl ZINC001233105635 1038892528 /nfs/dbraw/zinc/89/25/28/1038892528.db2.gz MXBZBZUTSQIHQI-UHFFFAOYSA-N 2 2 375.340 3.935 20 0 GHADLP CCOc1c(Cl)cc(C[N@@H+](CCOC)C2CC[NH+](C)CC2)cc1Cl ZINC001233105635 1038892543 /nfs/dbraw/zinc/89/25/43/1038892543.db2.gz MXBZBZUTSQIHQI-UHFFFAOYSA-N 2 2 375.340 3.935 20 0 GHADLP COc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1NC(=O)OC(C)(C)C ZINC001233130642 1038915127 /nfs/dbraw/zinc/91/51/27/1038915127.db2.gz PJWCYRZSWTUFND-NRFANRHFSA-N 2 2 375.513 3.570 20 0 GHADLP COc1cccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1NC(=O)OC(C)(C)C ZINC001233130642 1038915134 /nfs/dbraw/zinc/91/51/34/1038915134.db2.gz PJWCYRZSWTUFND-NRFANRHFSA-N 2 2 375.513 3.570 20 0 GHADLP COc1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1NC(=O)OC(C)(C)C ZINC001233130642 1038915143 /nfs/dbraw/zinc/91/51/43/1038915143.db2.gz PJWCYRZSWTUFND-NRFANRHFSA-N 2 2 375.513 3.570 20 0 GHADLP COc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1NC(=O)OC(C)(C)C ZINC001233130642 1038915146 /nfs/dbraw/zinc/91/51/46/1038915146.db2.gz PJWCYRZSWTUFND-NRFANRHFSA-N 2 2 375.513 3.570 20 0 GHADLP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)COc1cccc2ccccc21)c1ccccc1 ZINC001252394692 1038978035 /nfs/dbraw/zinc/97/80/35/1038978035.db2.gz QGYRUYDDXGVIKZ-FYYLOGMGSA-N 2 2 378.516 3.862 20 0 GHADLP CCC(CC)[N@H+](C[C@@H](O)COC(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001252676158 1039075638 /nfs/dbraw/zinc/07/56/38/1039075638.db2.gz RQVSXDLAVGTVFW-HSZRJFAPSA-N 2 2 376.585 3.928 20 0 GHADLP CCC(CC)[N@@H+](C[C@@H](O)COC(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001252676158 1039075660 /nfs/dbraw/zinc/07/56/60/1039075660.db2.gz RQVSXDLAVGTVFW-HSZRJFAPSA-N 2 2 376.585 3.928 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC001233362235 1039188563 /nfs/dbraw/zinc/18/85/63/1039188563.db2.gz UEGAHXBDSWHIHU-JOCHJYFZSA-N 3 2 390.531 3.590 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC001233362235 1039188570 /nfs/dbraw/zinc/18/85/70/1039188570.db2.gz UEGAHXBDSWHIHU-JOCHJYFZSA-N 3 2 390.531 3.590 20 0 GHADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnc3c(Br)cccn23)CC1 ZINC001233473365 1039364888 /nfs/dbraw/zinc/36/48/88/1039364888.db2.gz HHKVLQAXZGHHJI-UHFFFAOYSA-N 2 2 379.346 3.793 20 0 GHADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc3c(Br)cccn23)CC1 ZINC001233473365 1039364898 /nfs/dbraw/zinc/36/48/98/1039364898.db2.gz HHKVLQAXZGHHJI-UHFFFAOYSA-N 2 2 379.346 3.793 20 0 GHADLP CCNc1cc(CNC(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001254123859 1039999179 /nfs/dbraw/zinc/99/91/79/1039999179.db2.gz JRYKDQFPTRQZAL-OAQYLSRUSA-N 2 2 395.551 3.757 20 0 GHADLP CCNc1cc(CNC(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001254123859 1039999180 /nfs/dbraw/zinc/99/91/80/1039999180.db2.gz JRYKDQFPTRQZAL-OAQYLSRUSA-N 2 2 395.551 3.757 20 0 GHADLP COc1ccc(Oc2cccc(C[N@@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)c2)cc1 ZINC001235004927 1040496660 /nfs/dbraw/zinc/49/66/60/1040496660.db2.gz CUIAINULNJUFBC-HSZRJFAPSA-N 2 2 382.504 3.690 20 0 GHADLP COc1ccc(Oc2cccc(C[N@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)c2)cc1 ZINC001235004927 1040496663 /nfs/dbraw/zinc/49/66/63/1040496663.db2.gz CUIAINULNJUFBC-HSZRJFAPSA-N 2 2 382.504 3.690 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1ccccc1N1CCCC1)CC2 ZINC001235019198 1040509228 /nfs/dbraw/zinc/50/92/28/1040509228.db2.gz NJFHIWSUANQKJP-UHFFFAOYSA-N 2 2 391.559 3.932 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1ccccc1N1CCCC1)CC2 ZINC001235019198 1040509247 /nfs/dbraw/zinc/50/92/47/1040509247.db2.gz NJFHIWSUANQKJP-UHFFFAOYSA-N 2 2 391.559 3.932 20 0 GHADLP c1ccc2c(c1)CC[N@@H+](C1CC[NH+](Cc3cccc(N4CCOCC4)c3)CC1)C2 ZINC001235083873 1040568553 /nfs/dbraw/zinc/56/85/53/1040568553.db2.gz PWGGRCBNGMLDAO-UHFFFAOYSA-N 2 2 391.559 3.546 20 0 GHADLP FC(F)(F)c1ccccc1CC1([NH2+][C@H]2CC3CC[NH+](CC3)C2)CCOCC1 ZINC001254842869 1040587471 /nfs/dbraw/zinc/58/74/71/1040587471.db2.gz BGDVFXPAKCCAGR-SFHVURJKSA-N 2 2 382.470 3.871 20 0 GHADLP Brc1ccc(-c2ccc(C[N@@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)o2)cc1 ZINC001235115935 1040605462 /nfs/dbraw/zinc/60/54/62/1040605462.db2.gz SZFPRFKMJDBICC-LJQANCHMSA-N 2 2 391.309 3.664 20 0 GHADLP Brc1ccc(-c2ccc(C[N@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)o2)cc1 ZINC001235115935 1040605483 /nfs/dbraw/zinc/60/54/83/1040605483.db2.gz SZFPRFKMJDBICC-LJQANCHMSA-N 2 2 391.309 3.664 20 0 GHADLP O=C1N(CC2CC2)[C@H](c2ccccc2)C12CC[NH+]([C@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254861546 1040606357 /nfs/dbraw/zinc/60/63/57/1040606357.db2.gz UFGIJHWKGRDSSO-XZOQPEGZSA-N 2 2 393.575 3.546 20 0 GHADLP Brc1cc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)ccc1-n1cc[nH+]c1 ZINC001235132978 1040627672 /nfs/dbraw/zinc/62/76/72/1040627672.db2.gz LSOVAQVBDHCGNV-UHFFFAOYSA-N 3 2 389.341 3.600 20 0 GHADLP C[N@H+](Cc1ccc(Br)c(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001235182771 1040673891 /nfs/dbraw/zinc/67/38/91/1040673891.db2.gz QITTWRAYFNTSFT-UHFFFAOYSA-N 2 2 381.236 3.874 20 0 GHADLP C[N@@H+](Cc1ccc(Br)c(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001235182771 1040673897 /nfs/dbraw/zinc/67/38/97/1040673897.db2.gz QITTWRAYFNTSFT-UHFFFAOYSA-N 2 2 381.236 3.874 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cn2)cc1 ZINC001235184850 1040675501 /nfs/dbraw/zinc/67/55/01/1040675501.db2.gz PNVASDJPVOKKQF-SJORKVTESA-N 2 2 377.410 3.689 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cn2)cc1 ZINC001235184850 1040675506 /nfs/dbraw/zinc/67/55/06/1040675506.db2.gz PNVASDJPVOKKQF-SJORKVTESA-N 2 2 377.410 3.689 20 0 GHADLP Oc1ccc(Oc2cccc(C[N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C(F)(F)F)C3)c2)cc1 ZINC001235231214 1040710652 /nfs/dbraw/zinc/71/06/52/1040710652.db2.gz DHNUSUWCUPMNHB-KXBFYZLASA-N 2 2 378.394 3.768 20 0 GHADLP Oc1ccc(Oc2cccc(C[N@H+]3C[C@@H]4C[NH2+]C[C@]4(C(F)(F)F)C3)c2)cc1 ZINC001235231214 1040710664 /nfs/dbraw/zinc/71/06/64/1040710664.db2.gz DHNUSUWCUPMNHB-KXBFYZLASA-N 2 2 378.394 3.768 20 0 GHADLP c1ccc(C[C@@H]2C[N@@H+](C[C@H]3CCCC[NH2+]3)CC[C@@H]2OCc2ccccn2)cc1 ZINC001235258482 1040741930 /nfs/dbraw/zinc/74/19/30/1040741930.db2.gz RICVTVLGZMQVTK-AKFKNWHVSA-N 2 2 379.548 3.674 20 0 GHADLP c1ccc(C[C@@H]2C[N@H+](C[C@H]3CCCC[NH2+]3)CC[C@@H]2OCc2ccccn2)cc1 ZINC001235258482 1040741938 /nfs/dbraw/zinc/74/19/38/1040741938.db2.gz RICVTVLGZMQVTK-AKFKNWHVSA-N 2 2 379.548 3.674 20 0 GHADLP COc1cccc(C[NH+]2CCC(N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001255108473 1040789517 /nfs/dbraw/zinc/78/95/17/1040789517.db2.gz QDZYCUKTURTMSP-QHCPKHFHSA-N 2 2 379.548 3.524 20 0 GHADLP COc1cccc(C[NH+]2CCC(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001255108473 1040789528 /nfs/dbraw/zinc/78/95/28/1040789528.db2.gz QDZYCUKTURTMSP-QHCPKHFHSA-N 2 2 379.548 3.524 20 0 GHADLP COC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235379629 1040899329 /nfs/dbraw/zinc/89/93/29/1040899329.db2.gz IIOXCZDVDAIUAW-NZQKXSOJSA-N 2 2 398.934 3.880 20 0 GHADLP COC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235379629 1040899337 /nfs/dbraw/zinc/89/93/37/1040899337.db2.gz IIOXCZDVDAIUAW-NZQKXSOJSA-N 2 2 398.934 3.880 20 0 GHADLP COc1c(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cccc1OCc1ccccc1 ZINC001235401835 1040915784 /nfs/dbraw/zinc/91/57/84/1040915784.db2.gz UGYAMOQBGKUWRX-JTHBVZDNSA-N 2 2 384.495 3.798 20 0 GHADLP COc1c(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cccc1OCc1ccccc1 ZINC001235401835 1040915791 /nfs/dbraw/zinc/91/57/91/1040915791.db2.gz UGYAMOQBGKUWRX-JTHBVZDNSA-N 2 2 384.495 3.798 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)C2 ZINC001255249521 1040926424 /nfs/dbraw/zinc/92/64/24/1040926424.db2.gz RTEHKKWKDIJPRE-REPLKXPHSA-N 2 2 386.540 3.571 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)C1 ZINC001255350501 1040956480 /nfs/dbraw/zinc/95/64/80/1040956480.db2.gz UUEHGLXMQGKCJZ-PXNSSMCTSA-N 2 2 376.516 3.810 20 0 GHADLP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Br)cc1N1CCCCC1 ZINC001235779779 1041267431 /nfs/dbraw/zinc/26/74/31/1041267431.db2.gz UUMBIUQRBOXSQA-AYHJJNSGSA-N 2 2 378.358 3.894 20 0 GHADLP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Br)cc1N1CCCCC1 ZINC001235779779 1041267451 /nfs/dbraw/zinc/26/74/51/1041267451.db2.gz UUMBIUQRBOXSQA-AYHJJNSGSA-N 2 2 378.358 3.894 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@@H](C)CSc3ccc(F)cc3)CC2)C1 ZINC001255747041 1041267773 /nfs/dbraw/zinc/26/77/73/1041267773.db2.gz ICYYLXKAICADJH-IRXDYDNUSA-N 2 2 394.556 3.656 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)CSc3ccc(F)cc3)CC2)C1 ZINC001255747041 1041267788 /nfs/dbraw/zinc/26/77/88/1041267788.db2.gz ICYYLXKAICADJH-IRXDYDNUSA-N 2 2 394.556 3.656 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H](C)CSc3ccc(F)cc3)CC2)C1 ZINC001255747039 1041268231 /nfs/dbraw/zinc/26/82/31/1041268231.db2.gz ICYYLXKAICADJH-IAGOWNOFSA-N 2 2 394.556 3.656 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H](C)CSc3ccc(F)cc3)CC2)C1 ZINC001255747039 1041268241 /nfs/dbraw/zinc/26/82/41/1041268241.db2.gz ICYYLXKAICADJH-IAGOWNOFSA-N 2 2 394.556 3.656 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001255962085 1041442436 /nfs/dbraw/zinc/44/24/36/1041442436.db2.gz FYDUXUHHZBXYRG-AKIFATBCSA-N 2 2 389.584 3.590 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001255962085 1041442452 /nfs/dbraw/zinc/44/24/52/1041442452.db2.gz FYDUXUHHZBXYRG-AKIFATBCSA-N 2 2 389.584 3.590 20 0 GHADLP Brc1csc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1Br ZINC001236003955 1041495276 /nfs/dbraw/zinc/49/52/76/1041495276.db2.gz BDCRTKROZYPSKJ-UHFFFAOYSA-N 2 2 394.176 3.849 20 0 GHADLP Brc1cccc2c(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c[nH]c21 ZINC001236010923 1041503265 /nfs/dbraw/zinc/50/32/65/1041503265.db2.gz WBDNVJTUJMWPCD-UTKZUKDTSA-N 2 2 396.332 3.903 20 0 GHADLP Brc1cccc2c(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c[nH]c21 ZINC001236010923 1041503280 /nfs/dbraw/zinc/50/32/80/1041503280.db2.gz WBDNVJTUJMWPCD-UTKZUKDTSA-N 2 2 396.332 3.903 20 0 GHADLP [NH3+]CC1C[NH+]([C@@H]2CCCN(Cc3ccc(OCc4ccccc4)c(Cl)c3)C2)C1 ZINC001236079669 1041524809 /nfs/dbraw/zinc/52/48/09/1041524809.db2.gz PKUNVIXTMZSAPO-OAQYLSRUSA-N 2 2 399.966 3.774 20 0 GHADLP CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@H+](C)Cc1cc2c(s1)C[NH2+]CC2 ZINC001236091704 1041527928 /nfs/dbraw/zinc/52/79/28/1041527928.db2.gz ZRUVBBRDNQFNHQ-FQEVSTJZSA-N 2 2 386.561 3.984 20 0 GHADLP CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@@H+](C)Cc1cc2c(s1)C[NH2+]CC2 ZINC001236091704 1041527944 /nfs/dbraw/zinc/52/79/44/1041527944.db2.gz ZRUVBBRDNQFNHQ-FQEVSTJZSA-N 2 2 386.561 3.984 20 0 GHADLP c1c(C[NH+]2CCN(Cc3ccc4ccccc4c3)CC2)sc2c1C[NH2+]CC2 ZINC001236089893 1041528044 /nfs/dbraw/zinc/52/80/44/1041528044.db2.gz ZEXPLRUWKQCMML-UHFFFAOYSA-N 2 2 377.557 3.865 20 0 GHADLP CCOCC[N@H+](Cc1cc(Br)ccc1OC(C)C)C1CC[NH2+]CC1 ZINC001236462249 1041724494 /nfs/dbraw/zinc/72/44/94/1041724494.db2.gz UXRVIQHGECURRJ-UHFFFAOYSA-N 2 2 399.373 3.827 20 0 GHADLP CCOCC[N@@H+](Cc1cc(Br)ccc1OC(C)C)C1CC[NH2+]CC1 ZINC001236462249 1041724503 /nfs/dbraw/zinc/72/45/03/1041724503.db2.gz UXRVIQHGECURRJ-UHFFFAOYSA-N 2 2 399.373 3.827 20 0 GHADLP C[C@H](Cc1ccccn1)[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001256417435 1041725960 /nfs/dbraw/zinc/72/59/60/1041725960.db2.gz UIMCEVBBMLNOSS-WIYYLYMNSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@H](Cc1ccccn1)[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001256417435 1041725967 /nfs/dbraw/zinc/72/59/67/1041725967.db2.gz UIMCEVBBMLNOSS-WIYYLYMNSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@H](Cc1ccccn1)[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001256417435 1041725974 /nfs/dbraw/zinc/72/59/74/1041725974.db2.gz UIMCEVBBMLNOSS-WIYYLYMNSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@H](Cc1ccccn1)[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001256417435 1041725982 /nfs/dbraw/zinc/72/59/82/1041725982.db2.gz UIMCEVBBMLNOSS-WIYYLYMNSA-N 2 2 386.490 3.641 20 0 GHADLP COC(=O)c1cccc(C[N@H+](Cc2cc(C)c(C)cc2OC)C2CC[NH2+]CC2)c1 ZINC001236466171 1041728297 /nfs/dbraw/zinc/72/82/97/1041728297.db2.gz FLPCLSHUJZZTSY-UHFFFAOYSA-N 2 2 396.531 3.853 20 0 GHADLP COC(=O)c1cccc(C[N@@H+](Cc2cc(C)c(C)cc2OC)C2CC[NH2+]CC2)c1 ZINC001236466171 1041728305 /nfs/dbraw/zinc/72/83/05/1041728305.db2.gz FLPCLSHUJZZTSY-UHFFFAOYSA-N 2 2 396.531 3.853 20 0 GHADLP CC(C)C[N@H+](Cc1cc(I)cs1)[C@@H]1CCC[NH2+]C1 ZINC001236477906 1041733016 /nfs/dbraw/zinc/73/30/16/1041733016.db2.gz SZDFUAQUZFFUHT-CYBMUJFWSA-N 2 2 378.323 3.563 20 0 GHADLP CC(C)C[N@@H+](Cc1cc(I)cs1)[C@@H]1CCC[NH2+]C1 ZINC001236477906 1041733021 /nfs/dbraw/zinc/73/30/21/1041733021.db2.gz SZDFUAQUZFFUHT-CYBMUJFWSA-N 2 2 378.323 3.563 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1CN(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001236479311 1041733818 /nfs/dbraw/zinc/73/38/18/1041733818.db2.gz RSDPUNZBTQHEOK-FQEVSTJZSA-N 2 2 381.911 3.675 20 0 GHADLP Cc1cc(F)cc(C[N@H+](Cc2ccccc2N2CCOCC2)C2CC[NH2+]CC2)c1 ZINC001236481768 1041734455 /nfs/dbraw/zinc/73/44/55/1041734455.db2.gz ATQCTSGPGNRNTA-UHFFFAOYSA-N 2 2 397.538 3.725 20 0 GHADLP Cc1cc(F)cc(C[N@@H+](Cc2ccccc2N2CCOCC2)C2CC[NH2+]CC2)c1 ZINC001236481768 1041734460 /nfs/dbraw/zinc/73/44/60/1041734460.db2.gz ATQCTSGPGNRNTA-UHFFFAOYSA-N 2 2 397.538 3.725 20 0 GHADLP [NH3+]C1CC[NH+](C2CC[NH+](Cc3ccccc3CCc3ccccc3)CC2)CC1 ZINC001236582759 1041767455 /nfs/dbraw/zinc/76/74/55/1041767455.db2.gz INVILTNWHVSEQI-UHFFFAOYSA-N 3 2 377.576 3.859 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001236604016 1041776094 /nfs/dbraw/zinc/77/60/94/1041776094.db2.gz GPTOSXYJKDHKQT-UHOFOFEASA-N 2 2 378.385 3.570 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001236604016 1041776100 /nfs/dbraw/zinc/77/61/00/1041776100.db2.gz GPTOSXYJKDHKQT-UHOFOFEASA-N 2 2 378.385 3.570 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236830574 1041920771 /nfs/dbraw/zinc/92/07/71/1041920771.db2.gz NXHDQNGFXGZPNK-JVLSTEMRSA-N 2 2 396.318 3.821 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236830574 1041920775 /nfs/dbraw/zinc/92/07/75/1041920775.db2.gz NXHDQNGFXGZPNK-JVLSTEMRSA-N 2 2 396.318 3.821 20 0 GHADLP Cc1cccnc1N1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236902370 1041947795 /nfs/dbraw/zinc/94/77/95/1041947795.db2.gz BLDAQWGMQGUEJW-UHFFFAOYSA-N 2 2 381.911 3.941 20 0 GHADLP Cc1cccnc1N1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236902370 1041947796 /nfs/dbraw/zinc/94/77/96/1041947796.db2.gz BLDAQWGMQGUEJW-UHFFFAOYSA-N 2 2 381.911 3.941 20 0 GHADLP O=C(NC1CCC1)[C@H]1CC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)CC2 ZINC001236907078 1041950804 /nfs/dbraw/zinc/95/08/04/1041950804.db2.gz ZOABNTCBCHDEPF-GOSISDBHSA-N 2 2 398.938 3.797 20 0 GHADLP COc1ccnc(O[C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)c1 ZINC001236911258 1041953326 /nfs/dbraw/zinc/95/33/26/1041953326.db2.gz WVSUSVHDVQIIFJ-KRWDZBQOSA-N 2 2 384.867 3.583 20 0 GHADLP COc1ccnc(O[C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)c1 ZINC001236911258 1041953330 /nfs/dbraw/zinc/95/33/30/1041953330.db2.gz WVSUSVHDVQIIFJ-KRWDZBQOSA-N 2 2 384.867 3.583 20 0 GHADLP Brc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1-n1cccn1 ZINC001236915566 1041955522 /nfs/dbraw/zinc/95/55/22/1041955522.db2.gz WZSQVSHELDTAFM-UHFFFAOYSA-N 2 2 386.297 3.668 20 0 GHADLP CC1(C(=O)N2CCCC2)CC[NH+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236915053 1041955707 /nfs/dbraw/zinc/95/57/07/1041955707.db2.gz YTZHQZJJUODENH-UHFFFAOYSA-N 2 2 386.927 3.750 20 0 GHADLP O=C1N(CCn2cc[nH+]c2)CC[C@]12CCC[N@H+](Cc1ccsc1Cl)CC2 ZINC001278070178 1042095371 /nfs/dbraw/zinc/09/53/71/1042095371.db2.gz HWRXQZBTVQKCQD-LJQANCHMSA-N 2 2 392.956 3.503 20 0 GHADLP CCOc1cc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)ccc1OC(C)=O ZINC001237275787 1042118701 /nfs/dbraw/zinc/11/87/01/1042118701.db2.gz BKLLSELZMVVOSW-UHFFFAOYSA-N 2 2 394.515 3.648 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc(OC)c1OCc1ccccc1 ZINC001237415510 1042198401 /nfs/dbraw/zinc/19/84/01/1042198401.db2.gz PTDFGPINJMEAEK-NHCUHLMSSA-N 2 2 396.531 3.857 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc(OC)c1OCc1ccccc1 ZINC001237415510 1042198402 /nfs/dbraw/zinc/19/84/02/1042198402.db2.gz PTDFGPINJMEAEK-NHCUHLMSSA-N 2 2 396.531 3.857 20 0 GHADLP Cc1ccnc2cccc(C[NH+]3CCC4(CCC[N@H+]4Cc4ccn(C)n4)CC3)c12 ZINC001237624971 1042290658 /nfs/dbraw/zinc/29/06/58/1042290658.db2.gz BUBJRKLURMIDFO-UHFFFAOYSA-N 2 2 389.547 3.907 20 0 GHADLP Cc1ccnc2cccc(C[NH+]3CCC4(CCC[N@@H+]4Cc4ccn(C)n4)CC3)c12 ZINC001237624971 1042290661 /nfs/dbraw/zinc/29/06/61/1042290661.db2.gz BUBJRKLURMIDFO-UHFFFAOYSA-N 2 2 389.547 3.907 20 0 GHADLP CCOC[C@H]1C[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)Cc2cnn(C)c21 ZINC001237876494 1042404728 /nfs/dbraw/zinc/40/47/28/1042404728.db2.gz HBTGWYJUODDXGT-HXUWFJFHSA-N 2 2 380.536 3.557 20 0 GHADLP CCOC[C@H]1C[N@@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)Cc2cnn(C)c21 ZINC001237876494 1042404729 /nfs/dbraw/zinc/40/47/29/1042404729.db2.gz HBTGWYJUODDXGT-HXUWFJFHSA-N 2 2 380.536 3.557 20 0 GHADLP CCOc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc1F ZINC001237953569 1042435955 /nfs/dbraw/zinc/43/59/55/1042435955.db2.gz CLMYFMSRXNWJCC-UHFFFAOYSA-N 2 2 388.483 3.684 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C)c(OCC)c3)CC2)C1 ZINC001238067105 1042480586 /nfs/dbraw/zinc/48/05/86/1042480586.db2.gz HKIJSDFMLLLLIF-FQEVSTJZSA-N 2 2 388.552 3.633 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C)c(OCC)c3)CC2)C1 ZINC001238067105 1042480591 /nfs/dbraw/zinc/48/05/91/1042480591.db2.gz HKIJSDFMLLLLIF-FQEVSTJZSA-N 2 2 388.552 3.633 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(F)c1O ZINC001238361700 1042569981 /nfs/dbraw/zinc/56/99/81/1042569981.db2.gz XETYXVIYAYSTEV-DBVUQKKJSA-N 2 2 399.510 3.667 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(F)c1O ZINC001238361700 1042569983 /nfs/dbraw/zinc/56/99/83/1042569983.db2.gz XETYXVIYAYSTEV-DBVUQKKJSA-N 2 2 399.510 3.667 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(F)c1O ZINC001238361700 1042569984 /nfs/dbraw/zinc/56/99/84/1042569984.db2.gz XETYXVIYAYSTEV-DBVUQKKJSA-N 2 2 399.510 3.667 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(F)c1O ZINC001238361700 1042569987 /nfs/dbraw/zinc/56/99/87/1042569987.db2.gz XETYXVIYAYSTEV-DBVUQKKJSA-N 2 2 399.510 3.667 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1ccc(F)c(-c3ccccc3)c1)CC2 ZINC001238551858 1042637015 /nfs/dbraw/zinc/63/70/15/1042637015.db2.gz WJKZETOXLMECHJ-UHFFFAOYSA-N 2 2 395.522 3.669 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1ccc(F)c(-c3ccccc3)c1)CC2 ZINC001238551858 1042637017 /nfs/dbraw/zinc/63/70/17/1042637017.db2.gz WJKZETOXLMECHJ-UHFFFAOYSA-N 2 2 395.522 3.669 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(C(=O)NC4CCCCC4)cc3)cc2)C1 ZINC001239918576 1042863265 /nfs/dbraw/zinc/86/32/65/1042863265.db2.gz KBBVQZBXCCNEQC-JOCHJYFZSA-N 2 2 377.532 3.949 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(=O)NC4CCCCC4)cc3)cc2)C1 ZINC001239918576 1042863272 /nfs/dbraw/zinc/86/32/72/1042863272.db2.gz KBBVQZBXCCNEQC-JOCHJYFZSA-N 2 2 377.532 3.949 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)[nH+]c1 ZINC001256491759 1043429552 /nfs/dbraw/zinc/42/95/52/1043429552.db2.gz XUXBXCBDEJBFGT-IEBWSBKVSA-N 2 2 388.556 3.736 20 0 GHADLP COc1ccccc1N1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256538303 1043485077 /nfs/dbraw/zinc/48/50/77/1043485077.db2.gz RSFHFUGPFXYSDJ-RBBKRZOGSA-N 2 2 379.548 3.870 20 0 GHADLP COc1ccccc1N1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256538303 1043485084 /nfs/dbraw/zinc/48/50/84/1043485084.db2.gz RSFHFUGPFXYSDJ-RBBKRZOGSA-N 2 2 379.548 3.870 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542713 1043496826 /nfs/dbraw/zinc/49/68/26/1043496826.db2.gz QHCPGLJWJABAJZ-UVUJQTEASA-N 2 2 399.579 3.981 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256542713 1043496833 /nfs/dbraw/zinc/49/68/33/1043496833.db2.gz QHCPGLJWJABAJZ-UVUJQTEASA-N 2 2 399.579 3.981 20 0 GHADLP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256542713 1043496845 /nfs/dbraw/zinc/49/68/45/1043496845.db2.gz QHCPGLJWJABAJZ-UVUJQTEASA-N 2 2 399.579 3.981 20 0 GHADLP C[C@H]1C[C@H]([N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256542713 1043496857 /nfs/dbraw/zinc/49/68/57/1043496857.db2.gz QHCPGLJWJABAJZ-UVUJQTEASA-N 2 2 399.579 3.981 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256548901 1043511737 /nfs/dbraw/zinc/51/17/37/1043511737.db2.gz CHXVQQPUEBAHRT-UNMCSNQZSA-N 2 2 396.579 3.704 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256548901 1043511747 /nfs/dbraw/zinc/51/17/47/1043511747.db2.gz CHXVQQPUEBAHRT-UNMCSNQZSA-N 2 2 396.579 3.704 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256548900 1043512249 /nfs/dbraw/zinc/51/22/49/1043512249.db2.gz CHXVQQPUEBAHRT-RBBKRZOGSA-N 2 2 396.579 3.704 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256548900 1043512256 /nfs/dbraw/zinc/51/22/56/1043512256.db2.gz CHXVQQPUEBAHRT-RBBKRZOGSA-N 2 2 396.579 3.704 20 0 GHADLP Brc1ccc(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)s1 ZINC001256586689 1043556478 /nfs/dbraw/zinc/55/64/78/1043556478.db2.gz MWLSGSRQXPEDRH-UHFFFAOYSA-N 2 2 380.355 3.702 20 0 GHADLP c1ccc(CN2CC[C@@H]3C[N@@H+](C4CC[NH+](Cc5ccccc5)CC4)C[C@@H]32)cc1 ZINC001256611916 1043576393 /nfs/dbraw/zinc/57/63/93/1043576393.db2.gz ZTFFHHFILCONDD-NOZRDPDXSA-N 2 2 375.560 3.857 20 0 GHADLP c1ccc(CN2CC[C@@H]3C[N@H+](C4CC[NH+](Cc5ccccc5)CC4)C[C@@H]32)cc1 ZINC001256611916 1043576398 /nfs/dbraw/zinc/57/63/98/1043576398.db2.gz ZTFFHHFILCONDD-NOZRDPDXSA-N 2 2 375.560 3.857 20 0 GHADLP COc1cccc2c1CC[C@H]([NH2+][C@H](C[NH3+])c1ccc(Br)cc1)C2 ZINC001256637374 1043585621 /nfs/dbraw/zinc/58/56/21/1043585621.db2.gz UJIYEFILOYQIIQ-FUHWJXTLSA-N 2 2 375.310 3.605 20 0 GHADLP CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)C1 ZINC001257037594 1043813973 /nfs/dbraw/zinc/81/39/73/1043813973.db2.gz CDFPOZYDQSRVBK-GJZGRUSLSA-N 2 2 384.442 3.687 20 0 GHADLP Cn1c[nH+]cc1CC(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC001292757143 1043863641 /nfs/dbraw/zinc/86/36/41/1043863641.db2.gz FYOCBGQZYDFPPW-UHFFFAOYSA-N 2 2 390.531 3.533 20 0 GHADLP COc1ccc(C[C@H](C)[N@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001257268547 1043949563 /nfs/dbraw/zinc/94/95/63/1043949563.db2.gz NFBZFOFPBZFATH-GBXCKJPGSA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccc(C[C@H](C)[N@@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001257268547 1043949566 /nfs/dbraw/zinc/94/95/66/1043949566.db2.gz NFBZFOFPBZFATH-GBXCKJPGSA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccc(C[C@H](C)[NH+](C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001257268547 1043949570 /nfs/dbraw/zinc/94/95/70/1043949570.db2.gz NFBZFOFPBZFATH-GBXCKJPGSA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccc(C[C@H](C)[NH+](C)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001257268547 1043949575 /nfs/dbraw/zinc/94/95/75/1043949575.db2.gz NFBZFOFPBZFATH-GBXCKJPGSA-N 2 2 382.548 3.849 20 0 GHADLP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(F)cc2Cl)C1)CC(C)(C)C ZINC001293322311 1044113863 /nfs/dbraw/zinc/11/38/63/1044113863.db2.gz MHOKOGDBYMRESU-QGZVFWFLSA-N 2 2 383.939 3.538 20 0 GHADLP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(F)cc2Cl)C1)CC(C)(C)C ZINC001293322311 1044113867 /nfs/dbraw/zinc/11/38/67/1044113867.db2.gz MHOKOGDBYMRESU-QGZVFWFLSA-N 2 2 383.939 3.538 20 0 GHADLP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)CC(C)(C)C ZINC001293322311 1044113870 /nfs/dbraw/zinc/11/38/70/1044113870.db2.gz MHOKOGDBYMRESU-QGZVFWFLSA-N 2 2 383.939 3.538 20 0 GHADLP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)CC(C)(C)C ZINC001293322311 1044113876 /nfs/dbraw/zinc/11/38/76/1044113876.db2.gz MHOKOGDBYMRESU-QGZVFWFLSA-N 2 2 383.939 3.538 20 0 GHADLP Cc1[nH+]cc2n1CC[N@H+](C1CCC3(CCCN(C(=O)OC(C)(C)C)C3)CC1)C2 ZINC001257769528 1044158244 /nfs/dbraw/zinc/15/82/44/1044158244.db2.gz BVOSSGNMMHNHIH-UHFFFAOYSA-N 2 2 388.556 3.967 20 0 GHADLP Cc1[nH+]cc2n1CC[N@@H+](C1CCC3(CCCN(C(=O)OC(C)(C)C)C3)CC1)C2 ZINC001257769528 1044158258 /nfs/dbraw/zinc/15/82/58/1044158258.db2.gz BVOSSGNMMHNHIH-UHFFFAOYSA-N 2 2 388.556 3.967 20 0 GHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001257804516 1044187995 /nfs/dbraw/zinc/18/79/95/1044187995.db2.gz NQWIERHZGFSEJS-DXIQSLLYSA-N 2 2 379.589 3.876 20 0 GHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001257804516 1044188002 /nfs/dbraw/zinc/18/80/02/1044188002.db2.gz NQWIERHZGFSEJS-DXIQSLLYSA-N 2 2 379.589 3.876 20 0 GHADLP CCC(CC)(CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)[NH2+][C@H](C)c1ccccc1 ZINC001293488228 1044209540 /nfs/dbraw/zinc/20/95/40/1044209540.db2.gz NQXYFUFABCTWPM-DYESRHJHSA-N 2 2 397.567 3.816 20 0 GHADLP CCC(CC)(CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)[NH2+][C@H](C)c1ccccc1 ZINC001293488228 1044209550 /nfs/dbraw/zinc/20/95/50/1044209550.db2.gz NQXYFUFABCTWPM-DYESRHJHSA-N 2 2 397.567 3.816 20 0 GHADLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257948857 1044266600 /nfs/dbraw/zinc/26/66/00/1044266600.db2.gz RXKBAYQFAMXKCQ-FQEVSTJZSA-N 2 2 386.923 3.906 20 0 GHADLP CC(C)C[NH+]1CCC([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001258014228 1044341069 /nfs/dbraw/zinc/34/10/69/1044341069.db2.gz GEFXCGHOPPZAMX-ZTCOLXNVSA-N 3 2 384.612 3.734 20 0 GHADLP CC(C)C[NH+]1CCC([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001258014228 1044341079 /nfs/dbraw/zinc/34/10/79/1044341079.db2.gz GEFXCGHOPPZAMX-ZTCOLXNVSA-N 3 2 384.612 3.734 20 0 GHADLP CC(C)C[NH+]1CCC([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001258014228 1044341088 /nfs/dbraw/zinc/34/10/88/1044341088.db2.gz GEFXCGHOPPZAMX-ZTCOLXNVSA-N 3 2 384.612 3.734 20 0 GHADLP CC(C)C[NH+]1CCC([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001258014228 1044341095 /nfs/dbraw/zinc/34/10/95/1044341095.db2.gz GEFXCGHOPPZAMX-ZTCOLXNVSA-N 3 2 384.612 3.734 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2OC)cc1 ZINC001258397134 1044534323 /nfs/dbraw/zinc/53/43/23/1044534323.db2.gz GKHGXFPIQDNSRP-WDJPJFJCSA-N 2 2 382.548 3.895 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2OC)cc1 ZINC001258397134 1044534335 /nfs/dbraw/zinc/53/43/35/1044534335.db2.gz GKHGXFPIQDNSRP-WDJPJFJCSA-N 2 2 382.548 3.895 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1CCN(c3ccccc3)CC1)[C@@H]2C ZINC001258516014 1044591993 /nfs/dbraw/zinc/59/19/93/1044591993.db2.gz OIPLCAWHLSLYJF-LJQANCHMSA-N 2 2 381.568 3.769 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CCN(c3ccccc3)CC1)[C@@H]2C ZINC001258516014 1044592004 /nfs/dbraw/zinc/59/20/04/1044592004.db2.gz OIPLCAWHLSLYJF-LJQANCHMSA-N 2 2 381.568 3.769 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1CCN(c3ccccc3)CC1)[C@@H]2C ZINC001258516014 1044592034 /nfs/dbraw/zinc/59/20/34/1044592034.db2.gz OIPLCAWHLSLYJF-LJQANCHMSA-N 2 2 381.568 3.769 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)CC1(C)C ZINC001258565621 1044644029 /nfs/dbraw/zinc/64/40/29/1044644029.db2.gz YIXDNJZKELSASZ-GOSISDBHSA-N 2 2 388.556 3.818 20 0 GHADLP CCCCC[C@H](CCC)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001258673984 1044705733 /nfs/dbraw/zinc/70/57/33/1044705733.db2.gz QLKXCQGSFJICDP-QFIPXVFZSA-N 3 2 392.676 3.912 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H](C)Cc3cccc(Cl)c3)CC2)C1 ZINC001258751105 1044748622 /nfs/dbraw/zinc/74/86/22/1044748622.db2.gz HWQDDQIGGPRCMC-SJLPKXTDSA-N 2 2 378.944 3.620 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H](C)Cc3cccc(Cl)c3)CC2)C1 ZINC001258751105 1044748632 /nfs/dbraw/zinc/74/86/32/1044748632.db2.gz HWQDDQIGGPRCMC-SJLPKXTDSA-N 2 2 378.944 3.620 20 0 GHADLP C[C@H](NC(=O)c1c[nH+]ccc1Nc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001296233039 1045284963 /nfs/dbraw/zinc/28/49/63/1045284963.db2.gz YUADXBHSLWPQEQ-ZWKOTPCHSA-N 2 2 378.520 3.630 20 0 GHADLP C[C@H](NC(=O)c1c[nH+]ccc1Nc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001296233039 1045284979 /nfs/dbraw/zinc/28/49/79/1045284979.db2.gz YUADXBHSLWPQEQ-ZWKOTPCHSA-N 2 2 378.520 3.630 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1)c1ccccc1 ZINC001301662785 1046648104 /nfs/dbraw/zinc/64/81/04/1046648104.db2.gz QEQJXSXSSDDSIO-NHCUHLMSSA-N 2 2 385.939 3.896 20 0 GHADLP Nc1ncc(C[N@@H+]2CCC[C@@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)s1 ZINC001279694068 1047919784 /nfs/dbraw/zinc/91/97/84/1047919784.db2.gz RBBZFFUQGLTJOM-MRXNPFEDSA-N 2 2 376.492 3.746 20 0 GHADLP Nc1ncc(C[N@H+]2CCC[C@@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)s1 ZINC001279694068 1047919787 /nfs/dbraw/zinc/91/97/87/1047919787.db2.gz RBBZFFUQGLTJOM-MRXNPFEDSA-N 2 2 376.492 3.746 20 0 GHADLP Nc1ncc(C[NH+]2CCC[C@@]3(CCC[N@H+](CCCC(F)(F)F)C3)C2)s1 ZINC001279694068 1047919790 /nfs/dbraw/zinc/91/97/90/1047919790.db2.gz RBBZFFUQGLTJOM-MRXNPFEDSA-N 2 2 376.492 3.746 20 0 GHADLP Nc1ncc(C[NH+]2CCC[C@@]3(CCC[N@@H+](CCCC(F)(F)F)C3)C2)s1 ZINC001279694068 1047919793 /nfs/dbraw/zinc/91/97/93/1047919793.db2.gz RBBZFFUQGLTJOM-MRXNPFEDSA-N 2 2 376.492 3.746 20 0 GHADLP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC001306883733 1048943538 /nfs/dbraw/zinc/94/35/38/1048943538.db2.gz CUALCCKLYMPGPN-AUSIDOKSSA-N 2 2 395.547 3.640 20 0 GHADLP Clc1ccccc1N1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001307745958 1049557098 /nfs/dbraw/zinc/55/70/98/1049557098.db2.gz FLEHPFPVHXUEAK-UHFFFAOYSA-N 2 2 399.966 3.885 20 0 GHADLP Clc1ccccc1N1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001307745958 1049557107 /nfs/dbraw/zinc/55/71/07/1049557107.db2.gz FLEHPFPVHXUEAK-UHFFFAOYSA-N 2 2 399.966 3.885 20 0 GHADLP CC(C)[C@@H]([NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)C1(CO)CCC1 ZINC001307808690 1049605752 /nfs/dbraw/zinc/60/57/52/1049605752.db2.gz ZKLWWAWJBXJPJG-OAQYLSRUSA-N 2 2 394.003 3.629 20 0 GHADLP Cc1nc(N2CCCCC2)sc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001308210823 1049914435 /nfs/dbraw/zinc/91/44/35/1049914435.db2.gz PWILEPIEMBKNFB-UHFFFAOYSA-N 2 2 382.537 3.621 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)CC(F)F ZINC001308467361 1049983149 /nfs/dbraw/zinc/98/31/49/1049983149.db2.gz ZZAVIHDNXXJYJA-HOCLYGCPSA-N 2 2 375.504 3.532 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)CC(F)F ZINC001308467361 1049983153 /nfs/dbraw/zinc/98/31/53/1049983153.db2.gz ZZAVIHDNXXJYJA-HOCLYGCPSA-N 2 2 375.504 3.532 20 0 GHADLP COC(=O)[C@]1(F)CC[N@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001308575649 1050016467 /nfs/dbraw/zinc/01/64/67/1050016467.db2.gz BVPUAEDIULRTBH-YADHBBJMSA-N 2 2 376.516 3.512 20 0 GHADLP COC(=O)[C@]1(F)CC[N@@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001308575649 1050016475 /nfs/dbraw/zinc/01/64/75/1050016475.db2.gz BVPUAEDIULRTBH-YADHBBJMSA-N 2 2 376.516 3.512 20 0 GHADLP COC(=O)[C@]1(F)CC[NH+](C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001308575649 1050016476 /nfs/dbraw/zinc/01/64/76/1050016476.db2.gz BVPUAEDIULRTBH-YADHBBJMSA-N 2 2 376.516 3.512 20 0 GHADLP COC(=O)[C@]1(F)CC[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001308575649 1050016490 /nfs/dbraw/zinc/01/64/90/1050016490.db2.gz BVPUAEDIULRTBH-YADHBBJMSA-N 2 2 376.516 3.512 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C(C)(C)CNC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC001308673010 1050054806 /nfs/dbraw/zinc/05/48/06/1050054806.db2.gz PSCSLASSHZWJTD-IEBWSBKVSA-N 2 2 375.557 3.790 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C(C)(C)CNC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC001308673010 1050054814 /nfs/dbraw/zinc/05/48/14/1050054814.db2.gz PSCSLASSHZWJTD-IEBWSBKVSA-N 2 2 375.557 3.790 20 0 GHADLP COc1cc(Br)c(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1O ZINC001308682264 1050058756 /nfs/dbraw/zinc/05/87/56/1050058756.db2.gz PNJOBABVCRKFPE-KGLIPLIRSA-N 2 2 397.357 3.906 20 0 GHADLP COc1cc(Br)c(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1O ZINC001308682264 1050058761 /nfs/dbraw/zinc/05/87/61/1050058761.db2.gz PNJOBABVCRKFPE-KGLIPLIRSA-N 2 2 397.357 3.906 20 0 GHADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(Br)cc1F ZINC001329965917 1050931859 /nfs/dbraw/zinc/93/18/59/1050931859.db2.gz KRYADSZOZXCDKO-RTBURBONSA-N 2 2 399.348 3.754 20 0 GHADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001312013313 1052528508 /nfs/dbraw/zinc/52/85/08/1052528508.db2.gz TYFWTOBUNCQWNU-DHIUTWEWSA-N 2 2 392.547 3.700 20 0 GHADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001312013313 1052528512 /nfs/dbraw/zinc/52/85/12/1052528512.db2.gz TYFWTOBUNCQWNU-DHIUTWEWSA-N 2 2 392.547 3.700 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1nc(-c2ccsc2)oc1C ZINC001318814219 1054892575 /nfs/dbraw/zinc/89/25/75/1054892575.db2.gz DIHVTTXMNWXFCW-UHFFFAOYSA-N 2 2 379.445 3.782 20 0 GHADLP COc1ccc(-c2cncc(C(=O)Nc3c[nH+]ccc3-n3cc[nH+]c3C)c2)cc1 ZINC001319267765 1055139902 /nfs/dbraw/zinc/13/99/02/1055139902.db2.gz WQETXNRADVQJRM-UHFFFAOYSA-N 2 2 385.427 3.899 20 0 GHADLP CC(=O)c1cccc(OCCCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c1 ZINC001321819348 1056408289 /nfs/dbraw/zinc/40/82/89/1056408289.db2.gz UAZJVNHCIWOUFJ-UHFFFAOYSA-N 2 2 378.432 3.576 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC001321817879 1056408564 /nfs/dbraw/zinc/40/85/64/1056408564.db2.gz CNTPTFVEFCDDTO-UHFFFAOYSA-N 2 2 384.823 3.643 20 0 GHADLP C[C@@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001322643821 1056782821 /nfs/dbraw/zinc/78/28/21/1056782821.db2.gz WIINRFSLZVWIDH-WSTZPKSXSA-N 2 2 390.572 3.527 20 0 GHADLP C[C@@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001322643821 1056782835 /nfs/dbraw/zinc/78/28/35/1056782835.db2.gz WIINRFSLZVWIDH-WSTZPKSXSA-N 2 2 390.572 3.527 20 0 GHADLP C[C@H](C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1)n1cc[nH+]c1 ZINC001323524716 1056981312 /nfs/dbraw/zinc/98/13/12/1056981312.db2.gz FPUPCUQLAQKSPV-HXUWFJFHSA-N 2 2 376.504 3.653 20 0 GHADLP C[N@H+](CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)Cc1ccccc1 ZINC001324312544 1057110169 /nfs/dbraw/zinc/11/01/69/1057110169.db2.gz VVZMDQLHXMCNOI-OAQYLSRUSA-N 2 2 385.939 3.725 20 0 GHADLP C[N@@H+](CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)Cc1ccccc1 ZINC001324312544 1057110171 /nfs/dbraw/zinc/11/01/71/1057110171.db2.gz VVZMDQLHXMCNOI-OAQYLSRUSA-N 2 2 385.939 3.725 20 0 GHADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3cccnc3)ccc21 ZINC001325525104 1057337252 /nfs/dbraw/zinc/33/72/52/1057337252.db2.gz JLQKFGDDKBSVOB-YADHBBJMSA-N 2 2 378.520 3.624 20 0 GHADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3cccnc3)ccc21 ZINC001325525104 1057337256 /nfs/dbraw/zinc/33/72/56/1057337256.db2.gz JLQKFGDDKBSVOB-YADHBBJMSA-N 2 2 378.520 3.624 20 0 GHADLP CC[N@@H+](Cc1ccc(/C=C\C(=O)OC)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000848888178 1057397540 /nfs/dbraw/zinc/39/75/40/1057397540.db2.gz OAQRQZJIUPEQEO-KTKRTIGZSA-N 2 2 383.492 3.599 20 0 GHADLP CC[N@H+](Cc1ccc(/C=C\C(=O)OC)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000848888178 1057397549 /nfs/dbraw/zinc/39/75/49/1057397549.db2.gz OAQRQZJIUPEQEO-KTKRTIGZSA-N 2 2 383.492 3.599 20 0 GHADLP COc1ccccc1CNC(=[NH2+])NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000849054792 1057565049 /nfs/dbraw/zinc/56/50/49/1057565049.db2.gz BRTUZUMMGYZHKO-LJQANCHMSA-N 2 2 386.927 3.800 20 0 GHADLP CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000849064227 1057575235 /nfs/dbraw/zinc/57/52/35/1057575235.db2.gz GLBXVBYXQIXIKN-UHFFFAOYSA-N 2 2 379.464 3.806 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCC(C)(C)C[C@H]3c3ccccc3)C2)CC1 ZINC001443746199 1059192326 /nfs/dbraw/zinc/19/23/26/1059192326.db2.gz YXABXXGOQMLDCU-PMVMPFDFSA-N 2 2 397.607 3.881 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCC(C)(C)C[C@H]3c3ccccc3)C2)CC1 ZINC001443746199 1059192334 /nfs/dbraw/zinc/19/23/34/1059192334.db2.gz YXABXXGOQMLDCU-PMVMPFDFSA-N 2 2 397.607 3.881 20 0 GHADLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1)c1ccc(Cl)cc1 ZINC001451883427 1060857581 /nfs/dbraw/zinc/85/75/81/1060857581.db2.gz ZDGQXSXPLJRZLW-HJNYFJLDSA-N 2 2 397.950 3.676 20 0 GHADLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)c1ccc(Cl)cc1 ZINC001451883427 1060857592 /nfs/dbraw/zinc/85/75/92/1060857592.db2.gz ZDGQXSXPLJRZLW-HJNYFJLDSA-N 2 2 397.950 3.676 20 0 GHADLP O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001452746429 1060999807 /nfs/dbraw/zinc/99/98/07/1060999807.db2.gz GUVFTBLJCRQPMZ-QFIPXVFZSA-N 2 2 387.487 3.635 20 0 GHADLP O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001452746429 1060999808 /nfs/dbraw/zinc/99/98/08/1060999808.db2.gz GUVFTBLJCRQPMZ-QFIPXVFZSA-N 2 2 387.487 3.635 20 0 GHADLP O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001453644527 1061174241 /nfs/dbraw/zinc/17/42/41/1061174241.db2.gz XICPOFBMMOWWDK-UNMCSNQZSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001453644527 1061174250 /nfs/dbraw/zinc/17/42/50/1061174250.db2.gz XICPOFBMMOWWDK-UNMCSNQZSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001453644527 1061174255 /nfs/dbraw/zinc/17/42/55/1061174255.db2.gz XICPOFBMMOWWDK-UNMCSNQZSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001453644527 1061174264 /nfs/dbraw/zinc/17/42/64/1061174264.db2.gz XICPOFBMMOWWDK-UNMCSNQZSA-N 2 2 387.543 3.703 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)NCCCCC[NH+]2CCCC2)C1 ZINC001346359187 1061529301 /nfs/dbraw/zinc/52/93/01/1061529301.db2.gz WGAMFMOMIJVPDB-IBGZPJMESA-N 2 2 389.588 3.793 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3(c4cccc(F)c4)CCCCC3)c2)CC1 ZINC001454649687 1061901361 /nfs/dbraw/zinc/90/13/61/1061901361.db2.gz MVAAYNGHSHNVKX-UHFFFAOYSA-N 2 2 396.510 3.813 20 0 GHADLP Cn1c[nH+]cc1C1CCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC001347364428 1062325506 /nfs/dbraw/zinc/32/55/06/1062325506.db2.gz RIQNIDQAQQWTAN-OAQYLSRUSA-N 2 2 395.551 3.536 20 0 GHADLP CCC1([NH+]2CCCC2)CCN(c2nnc([C@H]3CCC[N@@H+]3C)n2CC(C)C)CC1 ZINC001347645002 1062548567 /nfs/dbraw/zinc/54/85/67/1062548567.db2.gz KCSWODVQFSDISB-LJQANCHMSA-N 2 2 388.604 3.546 20 0 GHADLP CCC1([NH+]2CCCC2)CCN(c2nnc([C@H]3CCC[N@H+]3C)n2CC(C)C)CC1 ZINC001347645002 1062548587 /nfs/dbraw/zinc/54/85/87/1062548587.db2.gz KCSWODVQFSDISB-LJQANCHMSA-N 2 2 388.604 3.546 20 0 GHADLP C[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001459616611 1064145308 /nfs/dbraw/zinc/14/53/08/1064145308.db2.gz VIWYYRFOINJNBV-RPBOFIJWSA-N 2 2 393.575 3.878 20 0 GHADLP C[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001459616611 1064145311 /nfs/dbraw/zinc/14/53/11/1064145311.db2.gz VIWYYRFOINJNBV-RPBOFIJWSA-N 2 2 393.575 3.878 20 0 GHADLP C[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001459616611 1064145315 /nfs/dbraw/zinc/14/53/15/1064145315.db2.gz VIWYYRFOINJNBV-RPBOFIJWSA-N 2 2 393.575 3.878 20 0 GHADLP C[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001459616611 1064145318 /nfs/dbraw/zinc/14/53/18/1064145318.db2.gz VIWYYRFOINJNBV-RPBOFIJWSA-N 2 2 393.575 3.878 20 0 GHADLP COc1cc(C)ccc1Oc1ccccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001200269588 1065778596 /nfs/dbraw/zinc/77/85/96/1065778596.db2.gz YISUQSXKAMEDOZ-PMACEKPBSA-N 2 2 382.504 3.749 20 0 GHADLP COc1cc(C)ccc1Oc1ccccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001200269588 1065778608 /nfs/dbraw/zinc/77/86/08/1065778608.db2.gz YISUQSXKAMEDOZ-PMACEKPBSA-N 2 2 382.504 3.749 20 0 GHADLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC001460625254 1069038206 /nfs/dbraw/zinc/03/82/06/1069038206.db2.gz FPVTXXBOVGDDAA-LADGPHEKSA-N 2 2 383.580 3.840 20 0 GHADLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC001460625254 1069038221 /nfs/dbraw/zinc/03/82/21/1069038221.db2.gz FPVTXXBOVGDDAA-LADGPHEKSA-N 2 2 383.580 3.840 20 0 GHADLP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001460671196 1069075158 /nfs/dbraw/zinc/07/51/58/1069075158.db2.gz MQOHKZOSLBVTBY-XMMPIXPASA-N 3 2 387.612 3.577 20 0 GHADLP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001460671196 1069075161 /nfs/dbraw/zinc/07/51/61/1069075161.db2.gz MQOHKZOSLBVTBY-XMMPIXPASA-N 3 2 387.612 3.577 20 0 GHADLP CC(C)C[NH+](CC1CC[NH+](C)CC1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001460671196 1069075165 /nfs/dbraw/zinc/07/51/65/1069075165.db2.gz MQOHKZOSLBVTBY-XMMPIXPASA-N 3 2 387.612 3.577 20 0 GHADLP CC(C)C[NH+](CC1CC[NH+](C)CC1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001460671196 1069075169 /nfs/dbraw/zinc/07/51/69/1069075169.db2.gz MQOHKZOSLBVTBY-XMMPIXPASA-N 3 2 387.612 3.577 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C2CC2)cc1 ZINC001460696145 1069092214 /nfs/dbraw/zinc/09/22/14/1069092214.db2.gz RKRULWVGAPCLEF-UPVQGACJSA-N 2 2 388.515 3.790 20 0 GHADLP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001471236845 1072978730 /nfs/dbraw/zinc/97/87/30/1072978730.db2.gz XBNKHLXXUAPXIW-YADHBBJMSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001471236845 1072978734 /nfs/dbraw/zinc/97/87/34/1072978734.db2.gz XBNKHLXXUAPXIW-YADHBBJMSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001471236845 1072978737 /nfs/dbraw/zinc/97/87/37/1072978737.db2.gz XBNKHLXXUAPXIW-YADHBBJMSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001471236845 1072978740 /nfs/dbraw/zinc/97/87/40/1072978740.db2.gz XBNKHLXXUAPXIW-YADHBBJMSA-N 2 2 387.543 3.703 20 0 GHADLP CN(C(=O)NC[C@]12C[C@H]1CCCC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001471354731 1073035536 /nfs/dbraw/zinc/03/55/36/1073035536.db2.gz RVLKLRDYJSISIC-WQJYWUQFSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)NC[C@]12C[C@H]1CCCC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001471354731 1073035539 /nfs/dbraw/zinc/03/55/39/1073035539.db2.gz RVLKLRDYJSISIC-WQJYWUQFSA-N 2 2 390.616 3.545 20 0 GHADLP CCc1ccc(CC[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC001473131491 1073796048 /nfs/dbraw/zinc/79/60/48/1073796048.db2.gz DFGZFNMLARSSQC-DEOSSOPVSA-N 2 2 392.591 3.721 20 0 GHADLP CCc1ccc(CC[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC001473131491 1073796052 /nfs/dbraw/zinc/79/60/52/1073796052.db2.gz DFGZFNMLARSSQC-DEOSSOPVSA-N 2 2 392.591 3.721 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001473427862 1073960239 /nfs/dbraw/zinc/96/02/39/1073960239.db2.gz HWIOMHWUTRJMGC-UHFFFAOYSA-N 2 2 376.403 3.797 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+]3CC[C@@H](C4CCCC4)C3)n2)CC1 ZINC001473566724 1074020009 /nfs/dbraw/zinc/02/00/09/1074020009.db2.gz CACLLKSSOCGANS-GOSISDBHSA-N 2 2 390.597 3.826 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+]3CC[C@@H](C4CCCC4)C3)n2)CC1 ZINC001473566724 1074020016 /nfs/dbraw/zinc/02/00/16/1074020016.db2.gz CACLLKSSOCGANS-GOSISDBHSA-N 2 2 390.597 3.826 20 0 GHADLP O=C(CC[NH+]1CCC(CC2CCCCC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001473838056 1074166933 /nfs/dbraw/zinc/16/69/33/1074166933.db2.gz RAYWHJORDJCXNM-UHFFFAOYSA-N 2 2 398.595 3.803 20 0 GHADLP CCOC(=O)C1(CC(F)F)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC001473879695 1074188339 /nfs/dbraw/zinc/18/83/39/1074188339.db2.gz UBSXVFJCTUHSJX-UHFFFAOYSA-N 2 2 391.462 3.981 20 0 GHADLP Cc1c(Cl)ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1Cl ZINC001473924047 1074205647 /nfs/dbraw/zinc/20/56/47/1074205647.db2.gz JLWKPTDUMUAMNA-UHFFFAOYSA-N 2 2 379.335 3.738 20 0 GHADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001474042338 1074245275 /nfs/dbraw/zinc/24/52/75/1074245275.db2.gz FPMBEOMYBVMOTN-BJKOFHAPSA-N 2 2 390.531 3.642 20 0 GHADLP COc1ccc2ccccc2c1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC001474077321 1074255992 /nfs/dbraw/zinc/25/59/92/1074255992.db2.gz ZOGLCKYZSHBSCM-LJQANCHMSA-N 2 2 376.504 3.996 20 0 GHADLP F[C@@H]1CC2(CC[C@@H]1[NH2+][C@H]1CCCCC[N@H+](Cc3ccccc3)C1)OCCO2 ZINC001474233224 1074302693 /nfs/dbraw/zinc/30/26/93/1074302693.db2.gz TVOBMQNQTMTRRS-HBMCJLEFSA-N 2 2 376.516 3.655 20 0 GHADLP F[C@@H]1CC2(CC[C@@H]1[NH2+][C@H]1CCCCC[N@@H+](Cc3ccccc3)C1)OCCO2 ZINC001474233224 1074302700 /nfs/dbraw/zinc/30/27/00/1074302700.db2.gz TVOBMQNQTMTRRS-HBMCJLEFSA-N 2 2 376.516 3.655 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC([NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)C2)CC1 ZINC001474495217 1074432173 /nfs/dbraw/zinc/43/21/73/1074432173.db2.gz GYAGJWNUTJCMME-IBGZPJMESA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC([NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)C2)CC1 ZINC001474495217 1074432175 /nfs/dbraw/zinc/43/21/75/1074432175.db2.gz GYAGJWNUTJCMME-IBGZPJMESA-N 2 2 377.573 3.773 20 0 GHADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cccc(OC2CC2)c1F ZINC001474513477 1074442855 /nfs/dbraw/zinc/44/28/55/1074442855.db2.gz QOCAPBBONXNFLI-UHFFFAOYSA-N 2 2 397.538 3.617 20 0 GHADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cccc(OC2CC2)c1F ZINC001474513477 1074442860 /nfs/dbraw/zinc/44/28/60/1074442860.db2.gz QOCAPBBONXNFLI-UHFFFAOYSA-N 2 2 397.538 3.617 20 0 GHADLP Cc1ccc(NC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c(N(C)C)[nH+]1 ZINC001476317386 1075123713 /nfs/dbraw/zinc/12/37/13/1075123713.db2.gz MDCLZLSKFZBXDV-LJQANCHMSA-N 2 2 381.524 3.632 20 0 GHADLP Cc1ccc(NC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)c(N(C)C)[nH+]1 ZINC001476317386 1075123714 /nfs/dbraw/zinc/12/37/14/1075123714.db2.gz MDCLZLSKFZBXDV-LJQANCHMSA-N 2 2 381.524 3.632 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000824547414 608513847 /nfs/dbraw/zinc/51/38/47/608513847.db2.gz NXXMYNVONPJZCW-VFNWGFHPSA-N 2 2 385.475 3.781 20 0 GHADLP CC(C)(c1ccnc(Cl)c1)[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164871297 721221891 /nfs/dbraw/zinc/22/18/91/721221891.db2.gz JQIBOYDPDPJYRU-UHFFFAOYSA-N 2 2 386.927 3.737 20 0 GHADLP FC(F)(F)[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H](C(F)(F)F)C1 ZINC000655685991 837606805 /nfs/dbraw/zinc/60/68/05/837606805.db2.gz WIHJXDOBZMZTEG-PAPYEOQZSA-N 2 2 388.396 3.739 20 0 GHADLP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1OCC(C)C ZINC000655700839 837683298 /nfs/dbraw/zinc/68/32/98/837683298.db2.gz MSBNQPWZIWYHDX-PXNSSMCTSA-N 2 2 376.541 3.634 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccc(F)cc2)cc1 ZINC000655703416 837698756 /nfs/dbraw/zinc/69/87/56/837698756.db2.gz PWJIOVKOCJBZHG-FYYLOGMGSA-N 2 2 384.495 3.767 20 0 GHADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCOC1 ZINC000151886499 834546133 /nfs/dbraw/zinc/54/61/33/834546133.db2.gz KQXZURZHPRFIIO-YLJYHZDGSA-N 2 2 399.501 3.622 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000583574752 834669877 /nfs/dbraw/zinc/66/98/77/834669877.db2.gz INDVARPMPKGJDZ-UHFFFAOYSA-N 2 2 376.504 3.881 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OCC(F)(F)F ZINC000093865963 834707078 /nfs/dbraw/zinc/70/70/78/834707078.db2.gz BXBOAAZUZQRLPT-MRXNPFEDSA-N 2 2 382.382 3.685 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OCC(F)(F)F ZINC000093865963 834707086 /nfs/dbraw/zinc/70/70/86/834707086.db2.gz BXBOAAZUZQRLPT-MRXNPFEDSA-N 2 2 382.382 3.685 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000655744065 837802704 /nfs/dbraw/zinc/80/27/04/837802704.db2.gz NXBYCANUJOHJBJ-DYVFJYSZSA-N 2 2 377.330 3.516 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000655744065 837802717 /nfs/dbraw/zinc/80/27/17/837802717.db2.gz NXBYCANUJOHJBJ-DYVFJYSZSA-N 2 2 377.330 3.516 20 0 GHADLP C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458615802 834763444 /nfs/dbraw/zinc/76/34/44/834763444.db2.gz YNWKULHCJAVRQQ-ZWKOTPCHSA-N 2 2 398.954 3.644 20 0 GHADLP C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458615802 834763451 /nfs/dbraw/zinc/76/34/51/834763451.db2.gz YNWKULHCJAVRQQ-ZWKOTPCHSA-N 2 2 398.954 3.644 20 0 GHADLP [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000583628440 834777432 /nfs/dbraw/zinc/77/74/32/834777432.db2.gz COAKINCTQAVTQF-SFHVURJKSA-N 2 2 394.523 3.559 20 0 GHADLP CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2cccc(-n3cc[nH+]c3)c2)[C@H](C(F)(F)F)C1 ZINC000583638354 834794686 /nfs/dbraw/zinc/79/46/86/834794686.db2.gz LBLNAAFNIRCTMO-HZPDHXFCSA-N 2 2 380.414 3.720 20 0 GHADLP CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2cccc(-n3cc[nH+]c3)c2)[C@H](C(F)(F)F)C1 ZINC000583638354 834794689 /nfs/dbraw/zinc/79/46/89/834794689.db2.gz LBLNAAFNIRCTMO-HZPDHXFCSA-N 2 2 380.414 3.720 20 0 GHADLP Cc1ccc(S(=O)(=O)c2ccc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cc2)cc1 ZINC000583693680 834888312 /nfs/dbraw/zinc/88/83/12/834888312.db2.gz DFJSMHBJONLSLK-OAQYLSRUSA-N 2 2 398.572 3.649 20 0 GHADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(F)cc(Br)c1 ZINC000655756119 837828972 /nfs/dbraw/zinc/82/89/72/837828972.db2.gz OIGIVLSTOQTZOC-ZWKOTPCHSA-N 2 2 385.321 3.882 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000685412456 834989156 /nfs/dbraw/zinc/98/91/56/834989156.db2.gz VHWDBQCRDGPGOF-SJORKVTESA-N 2 2 391.606 3.577 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000685412456 834989159 /nfs/dbraw/zinc/98/91/59/834989159.db2.gz VHWDBQCRDGPGOF-SJORKVTESA-N 2 2 391.606 3.577 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000685412456 834989163 /nfs/dbraw/zinc/98/91/63/834989163.db2.gz VHWDBQCRDGPGOF-SJORKVTESA-N 2 2 391.606 3.577 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000685412456 834989169 /nfs/dbraw/zinc/98/91/69/834989169.db2.gz VHWDBQCRDGPGOF-SJORKVTESA-N 2 2 391.606 3.577 20 0 GHADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000685418004 834996463 /nfs/dbraw/zinc/99/64/63/834996463.db2.gz YYVJOTAHFGMKSN-KRWDZBQOSA-N 2 2 381.307 3.763 20 0 GHADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000685418004 834996468 /nfs/dbraw/zinc/99/64/68/834996468.db2.gz YYVJOTAHFGMKSN-KRWDZBQOSA-N 2 2 381.307 3.763 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc2c1OCCO2 ZINC000685443002 835013830 /nfs/dbraw/zinc/01/38/30/835013830.db2.gz COKAOLIGILKNEP-DEOSSOPVSA-N 2 2 394.515 3.564 20 0 GHADLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc2c1OCCO2 ZINC000685443002 835013841 /nfs/dbraw/zinc/01/38/41/835013841.db2.gz COKAOLIGILKNEP-DEOSSOPVSA-N 2 2 394.515 3.564 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc2c1OCCO2 ZINC000685443002 835013853 /nfs/dbraw/zinc/01/38/53/835013853.db2.gz COKAOLIGILKNEP-DEOSSOPVSA-N 2 2 394.515 3.564 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc2c1OCCO2 ZINC000685443002 835013864 /nfs/dbraw/zinc/01/38/64/835013864.db2.gz COKAOLIGILKNEP-DEOSSOPVSA-N 2 2 394.515 3.564 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000158235029 835274990 /nfs/dbraw/zinc/27/49/90/835274990.db2.gz KHYMYZCLFYDZQK-NRFANRHFSA-N 2 2 394.563 3.504 20 0 GHADLP O=C(C[N@@H+]1CCCCC[C@H]1c1ccco1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000097592429 835312144 /nfs/dbraw/zinc/31/21/44/835312144.db2.gz DYEBWGHSFAVVPC-NRFANRHFSA-N 2 2 397.519 3.668 20 0 GHADLP O=C(C[N@H+]1CCCCC[C@H]1c1ccco1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000097592429 835312154 /nfs/dbraw/zinc/31/21/54/835312154.db2.gz DYEBWGHSFAVVPC-NRFANRHFSA-N 2 2 397.519 3.668 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cnn1-c1cc(C)ccc1C ZINC000658294289 835559127 /nfs/dbraw/zinc/55/91/27/835559127.db2.gz MMRGXDJGUXJWTI-NQIIRXRSSA-N 2 2 382.552 3.701 20 0 GHADLP Brc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)s1 ZINC000658295840 835561011 /nfs/dbraw/zinc/56/10/11/835561011.db2.gz PAZBFCUSRZNKLO-RHSMWYFYSA-N 2 2 385.371 3.805 20 0 GHADLP Brc1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)s1 ZINC000658295844 835561025 /nfs/dbraw/zinc/56/10/25/835561025.db2.gz PAZBFCUSRZNKLO-YOEHRIQHSA-N 2 2 385.371 3.805 20 0 GHADLP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000658296412 835561780 /nfs/dbraw/zinc/56/17/80/835561780.db2.gz ZRTJOQVTNALCOA-SVFBPWRDSA-N 2 2 376.516 3.703 20 0 GHADLP C[C@H](CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000548865952 835576433 /nfs/dbraw/zinc/57/64/33/835576433.db2.gz UISFYPSNMDJMLP-DYXWJJEUSA-N 2 2 394.563 3.707 20 0 GHADLP C[C@H](CNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000548865952 835576443 /nfs/dbraw/zinc/57/64/43/835576443.db2.gz UISFYPSNMDJMLP-DYXWJJEUSA-N 2 2 394.563 3.707 20 0 GHADLP CCOc1cccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000162027820 835588914 /nfs/dbraw/zinc/58/89/14/835588914.db2.gz WCMWEEYKMDXZMU-LJQANCHMSA-N 2 2 384.520 3.647 20 0 GHADLP Cc1cc2ncc([C@@H](C)[NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)c(C)n2n1 ZINC000179435841 835710283 /nfs/dbraw/zinc/71/02/83/835710283.db2.gz RIHNCQHBOOTILK-QGZVFWFLSA-N 2 2 392.551 3.732 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc2ccncc2s1 ZINC000657849619 835928435 /nfs/dbraw/zinc/92/84/35/835928435.db2.gz KJPNERRADGLBEP-KRWDZBQOSA-N 2 2 397.544 3.858 20 0 GHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccc(Cl)cc3F)CC2)C[C@H](C)O1 ZINC000547742868 835954322 /nfs/dbraw/zinc/95/43/22/835954322.db2.gz LPVQDNIMONBGBE-IYBDPMFKSA-N 2 2 384.923 3.569 20 0 GHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccc(Cl)cc3F)CC2)C[C@H](C)O1 ZINC000547742868 835954329 /nfs/dbraw/zinc/95/43/29/835954329.db2.gz LPVQDNIMONBGBE-IYBDPMFKSA-N 2 2 384.923 3.569 20 0 GHADLP Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)CC2)[nH+]c1 ZINC000180167363 836101256 /nfs/dbraw/zinc/10/12/56/836101256.db2.gz BOAPDGVLFDVEQB-YFNKSVMNSA-N 3 2 390.575 3.859 20 0 GHADLP Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)CC2)[nH+]c1 ZINC000180167363 836101260 /nfs/dbraw/zinc/10/12/60/836101260.db2.gz BOAPDGVLFDVEQB-YFNKSVMNSA-N 3 2 390.575 3.859 20 0 GHADLP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000612409843 836192801 /nfs/dbraw/zinc/19/28/01/836192801.db2.gz FZDMFXSOZXCCJC-FXAWDEMLSA-N 2 2 393.487 3.607 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000116383201 836231141 /nfs/dbraw/zinc/23/11/41/836231141.db2.gz VOCBPHBCPDCZHG-LIRRHRJNSA-N 2 2 392.316 3.983 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000116383201 836231148 /nfs/dbraw/zinc/23/11/48/836231148.db2.gz VOCBPHBCPDCZHG-LIRRHRJNSA-N 2 2 392.316 3.983 20 0 GHADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000893788970 844145653 /nfs/dbraw/zinc/14/56/53/844145653.db2.gz PBTZOGOBWILMIJ-RBBKRZOGSA-N 2 2 397.567 3.615 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000092665320 844149597 /nfs/dbraw/zinc/14/95/97/844149597.db2.gz VCXRHHCEPRMXAM-CALCHBBNSA-N 2 2 390.622 3.862 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000092665320 844149602 /nfs/dbraw/zinc/14/96/02/844149602.db2.gz VCXRHHCEPRMXAM-CALCHBBNSA-N 2 2 390.622 3.862 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000092664599 844156440 /nfs/dbraw/zinc/15/64/40/844156440.db2.gz MCWYYJDNSYTMFZ-WOJBJXKFSA-N 2 2 396.554 3.878 20 0 GHADLP CN(C(=O)c1ccc(C(C)(C)C)c(Cl)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685785933 836435465 /nfs/dbraw/zinc/43/54/65/836435465.db2.gz LNGUOVCLLOQDIM-GOSISDBHSA-N 2 2 391.987 3.878 20 0 GHADLP CN(C(=O)c1ccc(C(C)(C)C)c(Cl)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685785933 836435469 /nfs/dbraw/zinc/43/54/69/836435469.db2.gz LNGUOVCLLOQDIM-GOSISDBHSA-N 2 2 391.987 3.878 20 0 GHADLP Cc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000613494065 836568043 /nfs/dbraw/zinc/56/80/43/836568043.db2.gz TYMXFJBNJNXSLO-OAQYLSRUSA-N 2 2 383.561 3.538 20 0 GHADLP Cc1ccccc1[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000613494065 836568048 /nfs/dbraw/zinc/56/80/48/836568048.db2.gz TYMXFJBNJNXSLO-OAQYLSRUSA-N 2 2 383.561 3.538 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1)c1ccccc1 ZINC000510215741 836798894 /nfs/dbraw/zinc/79/88/94/836798894.db2.gz ISFDVXLJROIJBG-JOCHJYFZSA-N 2 2 376.504 3.994 20 0 GHADLP Cc1c(Cl)cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000175712796 836955987 /nfs/dbraw/zinc/95/59/87/836955987.db2.gz XDCNYQAHAVBWPG-UHFFFAOYSA-N 2 2 387.355 3.792 20 0 GHADLP Cc1c(Cl)cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000175712796 836955995 /nfs/dbraw/zinc/95/59/95/836955995.db2.gz XDCNYQAHAVBWPG-UHFFFAOYSA-N 2 2 387.355 3.792 20 0 GHADLP CCc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001167251141 837037741 /nfs/dbraw/zinc/03/77/41/837037741.db2.gz BCKXMGBNMQOCKK-HSZRJFAPSA-N 2 2 378.564 3.678 20 0 GHADLP CCc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001167251141 837037754 /nfs/dbraw/zinc/03/77/54/837037754.db2.gz BCKXMGBNMQOCKK-HSZRJFAPSA-N 2 2 378.564 3.678 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000683426771 837144821 /nfs/dbraw/zinc/14/48/21/837144821.db2.gz YNTZGGYVJLQMOM-QUCCMNQESA-N 2 2 384.568 3.626 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000683426771 837144823 /nfs/dbraw/zinc/14/48/23/837144823.db2.gz YNTZGGYVJLQMOM-QUCCMNQESA-N 2 2 384.568 3.626 20 0 GHADLP CC[C@H](C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000549770988 844248503 /nfs/dbraw/zinc/24/85/03/844248503.db2.gz KMFQVLDBYYDAHG-AUSIDOKSSA-N 2 2 395.547 3.929 20 0 GHADLP CC[C@H](C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000549770988 844248516 /nfs/dbraw/zinc/24/85/16/844248516.db2.gz KMFQVLDBYYDAHG-AUSIDOKSSA-N 2 2 395.547 3.929 20 0 GHADLP Cc1cccc2c1cc[nH+]c2N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000579951088 837995765 /nfs/dbraw/zinc/99/57/65/837995765.db2.gz MVKTYYABYNUUFI-KDURUIRLSA-N 2 2 383.536 3.638 20 0 GHADLP Cc1cccc2c1cc[nH+]c2N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000579951088 837995772 /nfs/dbraw/zinc/99/57/72/837995772.db2.gz MVKTYYABYNUUFI-KDURUIRLSA-N 2 2 383.536 3.638 20 0 GHADLP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000415911994 838268487 /nfs/dbraw/zinc/26/84/87/838268487.db2.gz FQOIJKLLDABMSC-PMACEKPBSA-N 2 2 388.462 3.641 20 0 GHADLP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000415911994 838268496 /nfs/dbraw/zinc/26/84/96/838268496.db2.gz FQOIJKLLDABMSC-PMACEKPBSA-N 2 2 388.462 3.641 20 0 GHADLP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000415913263 838269088 /nfs/dbraw/zinc/26/90/88/838269088.db2.gz PFQIBNYAZGRTND-LEWJYISDSA-N 2 2 375.476 3.653 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000415962599 838322372 /nfs/dbraw/zinc/32/23/72/838322372.db2.gz UALSXVNMLMMJLE-PKOBYXMFSA-N 2 2 392.425 3.520 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000415962599 838322376 /nfs/dbraw/zinc/32/23/76/838322376.db2.gz UALSXVNMLMMJLE-PKOBYXMFSA-N 2 2 392.425 3.520 20 0 GHADLP Fc1cccc(Cc2noc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)c1 ZINC000683779560 838700263 /nfs/dbraw/zinc/70/02/63/838700263.db2.gz DDLRUODAXWNYRA-UHFFFAOYSA-N 2 2 386.515 3.888 20 0 GHADLP CC(C)(c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)[C@H]([NH3+])c1ccccc1 ZINC000414627458 838706069 /nfs/dbraw/zinc/70/60/69/838706069.db2.gz RGCADEOQNINVDE-HXUWFJFHSA-N 2 2 392.503 3.546 20 0 GHADLP C[NH+](C)[C@@H](CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000416220771 838750046 /nfs/dbraw/zinc/75/00/46/838750046.db2.gz AQFFHHVPOOWTRR-FPOVZHCZSA-N 2 2 380.536 3.618 20 0 GHADLP COc1ccc2c(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc(=O)oc2c1 ZINC000377112864 839001821 /nfs/dbraw/zinc/00/18/21/839001821.db2.gz HTMILTSHXAIZGW-INIZCTEOSA-N 2 2 393.487 3.714 20 0 GHADLP COc1ccc2c(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc(=O)oc2c1 ZINC000377112864 839001833 /nfs/dbraw/zinc/00/18/33/839001833.db2.gz HTMILTSHXAIZGW-INIZCTEOSA-N 2 2 393.487 3.714 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549164096 839105495 /nfs/dbraw/zinc/10/54/95/839105495.db2.gz DAYKZFNSQKFTNQ-QHCPKHFHSA-N 2 2 393.575 3.925 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549164096 839105500 /nfs/dbraw/zinc/10/55/00/839105500.db2.gz DAYKZFNSQKFTNQ-QHCPKHFHSA-N 2 2 393.575 3.925 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(-n2ccnc2)cc1 ZINC000163732837 839465431 /nfs/dbraw/zinc/46/54/31/839465431.db2.gz RQRLLAYZXWVXAQ-LJQANCHMSA-N 2 2 376.504 3.555 20 0 GHADLP CC(C)[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[NH+]1CCCCC1 ZINC000580463009 839598419 /nfs/dbraw/zinc/59/84/19/839598419.db2.gz YPPBCIPABZDEOA-UNMCSNQZSA-N 2 2 383.536 3.737 20 0 GHADLP COC(=O)c1c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)nc2ccccc2c1-c1ccccc1 ZINC000584720686 840669026 /nfs/dbraw/zinc/66/90/26/840669026.db2.gz MVQALKFMUIWDCJ-LPHOPBHVSA-N 2 2 389.499 3.858 20 0 GHADLP COC(=O)c1c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)nc2ccccc2c1-c1ccccc1 ZINC000584720686 840669034 /nfs/dbraw/zinc/66/90/34/840669034.db2.gz MVQALKFMUIWDCJ-LPHOPBHVSA-N 2 2 389.499 3.858 20 0 GHADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000430554616 841053032 /nfs/dbraw/zinc/05/30/32/841053032.db2.gz GPCZHNRSXWKHAO-DENIHFKCSA-N 2 2 385.577 3.527 20 0 GHADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000430554616 841053043 /nfs/dbraw/zinc/05/30/43/841053043.db2.gz GPCZHNRSXWKHAO-DENIHFKCSA-N 2 2 385.577 3.527 20 0 GHADLP O=C(NCCCNc1cccc[nH+]1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056764000 841285081 /nfs/dbraw/zinc/28/50/81/841285081.db2.gz QWAKHVRQLSUBIL-UHFFFAOYSA-N 2 2 381.524 3.734 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(F)cc1I)CCC2 ZINC000417949328 841308648 /nfs/dbraw/zinc/30/86/48/841308648.db2.gz WEDNRJJFYCJHQF-ZDUSSCGKSA-N 2 2 399.251 3.602 20 0 GHADLP Cc1cc2c(s1)N(c1ccc(N3CC[NH2+]CC3)nc1)c1ccccc1NC2=[NH2+] ZINC001167463529 841402755 /nfs/dbraw/zinc/40/27/55/841402755.db2.gz VOFUZTFVVBCTFW-UHFFFAOYSA-N 2 2 390.516 3.681 20 0 GHADLP CCOc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc(Cl)c1O ZINC000500111745 841462688 /nfs/dbraw/zinc/46/26/88/841462688.db2.gz RQNWRBXSWSRQBW-UHFFFAOYSA-N 2 2 390.911 3.566 20 0 GHADLP COc1ccc([C@H](C)[C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1OC ZINC000474870760 861223054 /nfs/dbraw/zinc/22/30/54/861223054.db2.gz SDQTVWADQNMONK-MBOZVWFJSA-N 2 2 398.551 3.843 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000364312414 841684035 /nfs/dbraw/zinc/68/40/35/841684035.db2.gz YCPDCXLPZMNMIQ-SFHVURJKSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000364312414 841684039 /nfs/dbraw/zinc/68/40/39/841684039.db2.gz YCPDCXLPZMNMIQ-SFHVURJKSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000364312414 841684043 /nfs/dbraw/zinc/68/40/43/841684043.db2.gz YCPDCXLPZMNMIQ-SFHVURJKSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000364312414 841684049 /nfs/dbraw/zinc/68/40/49/841684049.db2.gz YCPDCXLPZMNMIQ-SFHVURJKSA-N 2 2 395.551 3.731 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1C ZINC000418355053 841870101 /nfs/dbraw/zinc/87/01/01/841870101.db2.gz OVHDEALUTUXTQN-IBGZPJMESA-N 2 2 384.524 3.672 20 0 GHADLP CN(C(=O)/C=C\c1cccs1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000255339240 841903808 /nfs/dbraw/zinc/90/38/08/841903808.db2.gz MFAONYZHRRGVDQ-VSUDTEGISA-N 2 2 375.582 3.557 20 0 GHADLP CN(C(=O)/C=C\c1cccs1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000255339240 841903813 /nfs/dbraw/zinc/90/38/13/841903813.db2.gz MFAONYZHRRGVDQ-VSUDTEGISA-N 2 2 375.582 3.557 20 0 GHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(Oc3cnccn3)cc2)cc1 ZINC000656790143 841930226 /nfs/dbraw/zinc/93/02/26/841930226.db2.gz MMTVBYYOCVTIGH-SFTDATJTSA-N 2 2 378.451 3.643 20 0 GHADLP Cc1sc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)nc1-c1ccc(Cl)cc1 ZINC000563155281 842062598 /nfs/dbraw/zinc/06/25/98/842062598.db2.gz IEIJQVVDEUZZFW-SFHVURJKSA-N 2 2 380.945 3.673 20 0 GHADLP Fc1ccc(COC2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000643251523 842102168 /nfs/dbraw/zinc/10/21/68/842102168.db2.gz CHVKTVWWTKYMKG-UHFFFAOYSA-N 2 2 398.522 3.839 20 0 GHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(Br)cc2Cl)CCCO1 ZINC000432362418 842178349 /nfs/dbraw/zinc/17/83/49/842178349.db2.gz LETMDNGDGBDCEK-ZDUSSCGKSA-N 2 2 375.738 3.693 20 0 GHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Br)cc2Cl)CCCO1 ZINC000432362418 842178351 /nfs/dbraw/zinc/17/83/51/842178351.db2.gz LETMDNGDGBDCEK-ZDUSSCGKSA-N 2 2 375.738 3.693 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177923613 861284262 /nfs/dbraw/zinc/28/42/62/861284262.db2.gz DAZDAYYPLNEHLC-SFHVURJKSA-N 2 2 391.519 3.708 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177923613 861284281 /nfs/dbraw/zinc/28/42/81/861284281.db2.gz DAZDAYYPLNEHLC-SFHVURJKSA-N 2 2 391.519 3.708 20 0 GHADLP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661853086 842237248 /nfs/dbraw/zinc/23/72/48/842237248.db2.gz BHDBWGYLGAKKDA-RBUKOAKNSA-N 2 2 399.583 3.515 20 0 GHADLP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661853086 842237252 /nfs/dbraw/zinc/23/72/52/842237252.db2.gz BHDBWGYLGAKKDA-RBUKOAKNSA-N 2 2 399.583 3.515 20 0 GHADLP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)NCc1ccn2cc[nH+]c2c1 ZINC000177943678 861286641 /nfs/dbraw/zinc/28/66/41/861286641.db2.gz MCYOQUPJPXTDKJ-UHFFFAOYSA-N 2 2 391.519 3.710 20 0 GHADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000512038639 842251017 /nfs/dbraw/zinc/25/10/17/842251017.db2.gz KGVLTEIAZHOJPX-OAHLLOKOSA-N 2 2 395.532 3.703 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000066986160 842263485 /nfs/dbraw/zinc/26/34/85/842263485.db2.gz MIBHZOAXYNVLEC-QFIPXVFZSA-N 2 2 389.503 3.509 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cscc2Br)[C@H](C)C1 ZINC000512050293 842336920 /nfs/dbraw/zinc/33/69/20/842336920.db2.gz CFNOAQGYTVLEDN-CJNGLKHVSA-N 2 2 375.376 3.737 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cscc2Br)[C@H](C)C1 ZINC000512050293 842336934 /nfs/dbraw/zinc/33/69/34/842336934.db2.gz CFNOAQGYTVLEDN-CJNGLKHVSA-N 2 2 375.376 3.737 20 0 GHADLP c1cc2c(nc[nH+]c2NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)[nH]1 ZINC000559186911 842339324 /nfs/dbraw/zinc/33/93/24/842339324.db2.gz GSXMFABTSJXCEI-GOSISDBHSA-N 2 2 375.501 3.653 20 0 GHADLP c1cc2c(nc[nH+]c2NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)[nH]1 ZINC000559186911 842339337 /nfs/dbraw/zinc/33/93/37/842339337.db2.gz GSXMFABTSJXCEI-GOSISDBHSA-N 2 2 375.501 3.653 20 0 GHADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000276602488 842351616 /nfs/dbraw/zinc/35/16/16/842351616.db2.gz GWJXZNFQBILYIS-ZIAGYGMSSA-N 2 2 393.778 3.631 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1)C1CC1 ZINC000512090457 842462295 /nfs/dbraw/zinc/46/22/95/842462295.db2.gz PUFCFEIROHPTNA-UHFFFAOYSA-N 2 2 381.520 3.964 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1)C1CC1 ZINC000512090457 842462298 /nfs/dbraw/zinc/46/22/98/842462298.db2.gz PUFCFEIROHPTNA-UHFFFAOYSA-N 2 2 381.520 3.964 20 0 GHADLP CCCC(=O)c1ncccc1N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000663701337 842795797 /nfs/dbraw/zinc/79/57/97/842795797.db2.gz ZQFHDRQXDSBFFR-UHFFFAOYSA-N 2 2 386.584 3.697 20 0 GHADLP C[C@H](CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000430753193 842930468 /nfs/dbraw/zinc/93/04/68/842930468.db2.gz JLABREFBRASCCU-GPMSIDNRSA-N 2 2 395.950 3.758 20 0 GHADLP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512241663 843198250 /nfs/dbraw/zinc/19/82/50/843198250.db2.gz FLYIZQHTLVQADW-XMMPIXPASA-N 2 2 378.516 3.866 20 0 GHADLP CC(=O)c1ccccc1OCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512241663 843198257 /nfs/dbraw/zinc/19/82/57/843198257.db2.gz FLYIZQHTLVQADW-XMMPIXPASA-N 2 2 378.516 3.866 20 0 GHADLP CC(=O)c1ccccc1OCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512241663 843198262 /nfs/dbraw/zinc/19/82/62/843198262.db2.gz FLYIZQHTLVQADW-XMMPIXPASA-N 2 2 378.516 3.866 20 0 GHADLP CC(=O)c1ccccc1OCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512241663 843198269 /nfs/dbraw/zinc/19/82/69/843198269.db2.gz FLYIZQHTLVQADW-XMMPIXPASA-N 2 2 378.516 3.866 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]CCC(=O)N(C)c2ccccc2)c(C)c1 ZINC000663359012 843307079 /nfs/dbraw/zinc/30/70/79/843307079.db2.gz BSTBZCXVSPXVOZ-JOCHJYFZSA-N 2 2 376.504 3.884 20 0 GHADLP Cc1ccc(OC[C@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000512288284 843321966 /nfs/dbraw/zinc/32/19/66/843321966.db2.gz MPETZDQWRGHXDL-HSZRJFAPSA-N 2 2 382.548 3.640 20 0 GHADLP Cc1ccc(OC[C@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000512288284 843321977 /nfs/dbraw/zinc/32/19/77/843321977.db2.gz MPETZDQWRGHXDL-HSZRJFAPSA-N 2 2 382.548 3.640 20 0 GHADLP Clc1ccc([C@H]2OCC[C@H]2[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000510796050 843511492 /nfs/dbraw/zinc/51/14/92/843511492.db2.gz IYCZDFMGXPWFDP-DHIUTWEWSA-N 2 2 399.966 3.972 20 0 GHADLP CN(C(=O)c1ccc(C(F)F)o1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000626262041 843555657 /nfs/dbraw/zinc/55/56/57/843555657.db2.gz SUEGFCBGKPQYEP-JKSUJKDBSA-N 2 2 383.483 3.626 20 0 GHADLP CN(C(=O)c1ccc(C(F)F)o1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000626262041 843555666 /nfs/dbraw/zinc/55/56/66/843555666.db2.gz SUEGFCBGKPQYEP-JKSUJKDBSA-N 2 2 383.483 3.626 20 0 GHADLP Cc1ccc(C[N@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C2CC2)o1 ZINC000051967877 844704634 /nfs/dbraw/zinc/70/46/34/844704634.db2.gz ALIJTWWLHSURNY-UHFFFAOYSA-N 2 2 395.547 3.642 20 0 GHADLP Cc1ccc(C[N@@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C2CC2)o1 ZINC000051967877 844704643 /nfs/dbraw/zinc/70/46/43/844704643.db2.gz ALIJTWWLHSURNY-UHFFFAOYSA-N 2 2 395.547 3.642 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccsc1 ZINC000152144863 844859636 /nfs/dbraw/zinc/85/96/36/844859636.db2.gz AROWKQCYXHBXEK-QXAKKESOSA-N 2 2 389.569 3.620 20 0 GHADLP CN(C(=O)NCC1CCCCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535866437 844865311 /nfs/dbraw/zinc/86/53/11/844865311.db2.gz OEOJEXCGUPLZOB-LEWJYISDSA-N 2 2 378.605 3.545 20 0 GHADLP CN(C(=O)NCC1CCCCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535866437 844865315 /nfs/dbraw/zinc/86/53/15/844865315.db2.gz OEOJEXCGUPLZOB-LEWJYISDSA-N 2 2 378.605 3.545 20 0 GHADLP c1c(CC[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]c2n1CCCC2 ZINC000512662619 844916305 /nfs/dbraw/zinc/91/63/05/844916305.db2.gz ZBJQOTPZLGOWEW-PMVMPFDFSA-N 3 2 378.564 3.652 20 0 GHADLP c1c(CC[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]c2n1CCCC2 ZINC000512662619 844916308 /nfs/dbraw/zinc/91/63/08/844916308.db2.gz ZBJQOTPZLGOWEW-PMVMPFDFSA-N 3 2 378.564 3.652 20 0 GHADLP COCc1ccccc1/C=C(\C)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000512727635 845207726 /nfs/dbraw/zinc/20/77/26/845207726.db2.gz JKEWXEQLIKRYFJ-WZLQQZPBSA-N 2 2 394.559 3.805 20 0 GHADLP COCc1ccccc1/C=C(\C)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000512727635 845207729 /nfs/dbraw/zinc/20/77/29/845207729.db2.gz JKEWXEQLIKRYFJ-WZLQQZPBSA-N 2 2 394.559 3.805 20 0 GHADLP COCc1ccccc1/C=C(\C)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000512727635 845207734 /nfs/dbraw/zinc/20/77/34/845207734.db2.gz JKEWXEQLIKRYFJ-WZLQQZPBSA-N 2 2 394.559 3.805 20 0 GHADLP COCc1ccccc1/C=C(\C)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000512727635 845207740 /nfs/dbraw/zinc/20/77/40/845207740.db2.gz JKEWXEQLIKRYFJ-WZLQQZPBSA-N 2 2 394.559 3.805 20 0 GHADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430027385 845604635 /nfs/dbraw/zinc/60/46/35/845604635.db2.gz ADYLONSOZRJLRX-PMACEKPBSA-N 2 2 378.944 3.596 20 0 GHADLP Cc1ccc2[nH]c(C[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)cc2c1C ZINC000472054413 845620817 /nfs/dbraw/zinc/62/08/17/845620817.db2.gz LLKVJPURHKWWHV-UHFFFAOYSA-N 2 2 393.531 3.786 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000277410473 846052619 /nfs/dbraw/zinc/05/26/19/846052619.db2.gz CUJXBDIVIDVTPK-UHFFFAOYSA-N 2 2 382.552 3.596 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000513655970 846199138 /nfs/dbraw/zinc/19/91/38/846199138.db2.gz PJRQPGRRKOOBLL-BHDDXSALSA-N 2 2 393.579 3.785 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000513655970 846199155 /nfs/dbraw/zinc/19/91/55/846199155.db2.gz PJRQPGRRKOOBLL-BHDDXSALSA-N 2 2 393.579 3.785 20 0 GHADLP COCC[C@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000502706209 846367722 /nfs/dbraw/zinc/36/77/22/846367722.db2.gz DXANAUYULAPLHZ-WIYYLYMNSA-N 2 2 379.976 3.647 20 0 GHADLP CN(C(=O)[C@H]1CCCCC1(C)C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000582220857 846656207 /nfs/dbraw/zinc/65/62/07/846656207.db2.gz FWJNKOCJZVRNMC-NJYVYQBISA-N 2 2 377.617 3.998 20 0 GHADLP CN(C(=O)[C@H]1CCCCC1(C)C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000582220857 846656216 /nfs/dbraw/zinc/65/62/16/846656216.db2.gz FWJNKOCJZVRNMC-NJYVYQBISA-N 2 2 377.617 3.998 20 0 GHADLP CC(C)[C@@H](C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000503001758 846702858 /nfs/dbraw/zinc/70/28/58/846702858.db2.gz AUNJSIQLFATMMV-HSZRJFAPSA-N 2 2 395.547 3.557 20 0 GHADLP CC(C)[C@@H](C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000503001758 846702866 /nfs/dbraw/zinc/70/28/66/846702866.db2.gz AUNJSIQLFATMMV-HSZRJFAPSA-N 2 2 395.547 3.557 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3csc4c3CC[C@H](C)C4)CC2)CC1 ZINC000422004298 846742303 /nfs/dbraw/zinc/74/23/03/846742303.db2.gz FZLVMZLZHNLQMS-KRWDZBQOSA-N 2 2 389.609 3.505 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3csc4c3CC[C@H](C)C4)CC2)CC1 ZINC000422004298 846742311 /nfs/dbraw/zinc/74/23/11/846742311.db2.gz FZLVMZLZHNLQMS-KRWDZBQOSA-N 2 2 389.609 3.505 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)c3ccccc3Cl)CC2)CC1 ZINC000422149219 846853883 /nfs/dbraw/zinc/85/38/83/846853883.db2.gz XYAVNSDHHIBURL-KRWDZBQOSA-N 2 2 392.975 3.603 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)c3ccccc3Cl)CC2)CC1 ZINC000422149219 846853891 /nfs/dbraw/zinc/85/38/91/846853891.db2.gz XYAVNSDHHIBURL-KRWDZBQOSA-N 2 2 392.975 3.603 20 0 GHADLP CCCC[C@@H]1CCC[C@H]1NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422153227 846858569 /nfs/dbraw/zinc/85/85/69/846858569.db2.gz IVTHQIVAYDDREF-TZIWHRDSSA-N 2 2 378.605 3.547 20 0 GHADLP CCCC[C@@H]1CCC[C@H]1NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422153227 846858571 /nfs/dbraw/zinc/85/85/71/846858571.db2.gz IVTHQIVAYDDREF-TZIWHRDSSA-N 2 2 378.605 3.547 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(I)cc2Cl)CC[N@@H+]1C ZINC000501470223 846942377 /nfs/dbraw/zinc/94/23/77/846942377.db2.gz XBOOHYJQZIHCIN-GWCFXTLKSA-N 2 2 378.685 3.517 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(I)cc2Cl)CC[N@H+]1C ZINC000501470223 846942381 /nfs/dbraw/zinc/94/23/81/846942381.db2.gz XBOOHYJQZIHCIN-GWCFXTLKSA-N 2 2 378.685 3.517 20 0 GHADLP c1cncc([C@@H]2CCC[C@@H]([NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)c1 ZINC000501473121 846944701 /nfs/dbraw/zinc/94/47/01/846944701.db2.gz BJBYKMZGSQMFGF-FYYLOGMGSA-N 2 2 395.547 3.609 20 0 GHADLP CC(=O)Nc1cccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000272272636 847034574 /nfs/dbraw/zinc/03/45/74/847034574.db2.gz NKYIWMGIKOUBHN-MRXNPFEDSA-N 2 2 381.524 3.744 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000272676486 847142946 /nfs/dbraw/zinc/14/29/46/847142946.db2.gz RAWMFRFDRYPJRU-AVRDEDQJSA-N 3 2 375.520 3.576 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272676486 847142958 /nfs/dbraw/zinc/14/29/58/847142958.db2.gz RAWMFRFDRYPJRU-AVRDEDQJSA-N 3 2 375.520 3.576 20 0 GHADLP Brc1cc2c(cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)OCCCO2 ZINC000420378063 847148711 /nfs/dbraw/zinc/14/87/11/847148711.db2.gz BBPZGXHNJBRUSF-PBHICJAKSA-N 2 2 395.341 3.574 20 0 GHADLP Brc1cc2c(cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)OCCCO2 ZINC000420378063 847148717 /nfs/dbraw/zinc/14/87/17/847148717.db2.gz BBPZGXHNJBRUSF-PBHICJAKSA-N 2 2 395.341 3.574 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420392637 847156244 /nfs/dbraw/zinc/15/62/44/847156244.db2.gz JADNXCROEWUEKK-UTKZUKDTSA-N 2 2 381.520 3.684 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420392637 847156253 /nfs/dbraw/zinc/15/62/53/847156253.db2.gz JADNXCROEWUEKK-UTKZUKDTSA-N 2 2 381.520 3.684 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)N1c2ccccc2CCc2ccccc21 ZINC000420412414 847174614 /nfs/dbraw/zinc/17/46/14/847174614.db2.gz ZBLCSPYAPGXLLV-YADHBBJMSA-N 2 2 389.543 3.914 20 0 GHADLP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)N1c2ccccc2CCc2ccccc21 ZINC000420412414 847174620 /nfs/dbraw/zinc/17/46/20/847174620.db2.gz ZBLCSPYAPGXLLV-YADHBBJMSA-N 2 2 389.543 3.914 20 0 GHADLP COC[C@@H]([NH2+]Cc1ccccc1C[NH2+][C@H](COC)c1ccco1)c1ccco1 ZINC000273494139 847355721 /nfs/dbraw/zinc/35/57/21/847355721.db2.gz LGXGAHJSEBAXMC-WOJBJXKFSA-N 2 2 384.476 3.827 20 0 GHADLP Cc1cc(CNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc(C)[nH+]1 ZINC000420850959 847486991 /nfs/dbraw/zinc/48/69/91/847486991.db2.gz QGRVBJYNUJEUOU-UHFFFAOYSA-N 2 2 380.536 3.549 20 0 GHADLP Cc1cc(CNC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc(C)[nH+]1 ZINC000420850959 847486993 /nfs/dbraw/zinc/48/69/93/847486993.db2.gz QGRVBJYNUJEUOU-UHFFFAOYSA-N 2 2 380.536 3.549 20 0 GHADLP Cc1cc(CNC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000420855776 847490357 /nfs/dbraw/zinc/49/03/57/847490357.db2.gz XBAARPVGNNLMQO-FPOVZHCZSA-N 2 2 380.536 3.798 20 0 GHADLP Cc1cc(CNC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000420855776 847490362 /nfs/dbraw/zinc/49/03/62/847490362.db2.gz XBAARPVGNNLMQO-FPOVZHCZSA-N 2 2 380.536 3.798 20 0 GHADLP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1N1CCCC1 ZINC000420906292 847523901 /nfs/dbraw/zinc/52/39/01/847523901.db2.gz SEIYTLKCNUDWMM-UHFFFAOYSA-N 2 2 379.548 3.751 20 0 GHADLP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1N1CCCC1 ZINC000420906292 847523912 /nfs/dbraw/zinc/52/39/12/847523912.db2.gz SEIYTLKCNUDWMM-UHFFFAOYSA-N 2 2 379.548 3.751 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000503254099 847524365 /nfs/dbraw/zinc/52/43/65/847524365.db2.gz DEHQKYFUDRVMJF-ROUUACIJSA-N 2 2 398.378 3.581 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000503254099 847524380 /nfs/dbraw/zinc/52/43/80/847524380.db2.gz DEHQKYFUDRVMJF-ROUUACIJSA-N 2 2 398.378 3.581 20 0 GHADLP CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000625401162 861803199 /nfs/dbraw/zinc/80/31/99/861803199.db2.gz RESYCBRZOLWHJQ-GOSISDBHSA-N 2 2 399.501 3.678 20 0 GHADLP CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000625401162 861803219 /nfs/dbraw/zinc/80/32/19/861803219.db2.gz RESYCBRZOLWHJQ-GOSISDBHSA-N 2 2 399.501 3.678 20 0 GHADLP c1ccc(C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC2CCOCC2)cc1 ZINC000420916815 847563929 /nfs/dbraw/zinc/56/39/29/847563929.db2.gz PUZOOZMIFOUJFF-UHFFFAOYSA-N 2 2 394.559 3.948 20 0 GHADLP c1ccc(C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC2CCOCC2)cc1 ZINC000420916815 847563939 /nfs/dbraw/zinc/56/39/39/847563939.db2.gz PUZOOZMIFOUJFF-UHFFFAOYSA-N 2 2 394.559 3.948 20 0 GHADLP c1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420951186 847571101 /nfs/dbraw/zinc/57/11/01/847571101.db2.gz RXCUOXINAUUDBK-JOCHJYFZSA-N 2 2 390.531 3.533 20 0 GHADLP c1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420951186 847571108 /nfs/dbraw/zinc/57/11/08/847571108.db2.gz RXCUOXINAUUDBK-JOCHJYFZSA-N 2 2 390.531 3.533 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(Cl)cc3C)CC2)CC1 ZINC000421032101 847631491 /nfs/dbraw/zinc/63/14/91/847631491.db2.gz GYVWLFGXAUNHOC-UHFFFAOYSA-N 2 2 378.948 3.672 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(Cl)cc3C)CC2)CC1 ZINC000421032101 847631498 /nfs/dbraw/zinc/63/14/98/847631498.db2.gz GYVWLFGXAUNHOC-UHFFFAOYSA-N 2 2 378.948 3.672 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(F)cc3Br)CC2)CC1 ZINC000421015051 847638286 /nfs/dbraw/zinc/63/82/86/847638286.db2.gz SYRUAIKQKURSIX-UHFFFAOYSA-N 2 2 398.364 3.580 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(F)cc3Br)CC2)CC1 ZINC000421015051 847638291 /nfs/dbraw/zinc/63/82/91/847638291.db2.gz SYRUAIKQKURSIX-UHFFFAOYSA-N 2 2 398.364 3.580 20 0 GHADLP CCSc1cccc(NC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000421062294 847674841 /nfs/dbraw/zinc/67/48/41/847674841.db2.gz PVMQYCRWLRCUNW-UHFFFAOYSA-N 2 2 390.597 3.823 20 0 GHADLP CCSc1cccc(NC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000421062294 847674842 /nfs/dbraw/zinc/67/48/42/847674842.db2.gz PVMQYCRWLRCUNW-UHFFFAOYSA-N 2 2 390.597 3.823 20 0 GHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657477302 847675977 /nfs/dbraw/zinc/67/59/77/847675977.db2.gz SEYRMTLDDUPHFI-SFHVURJKSA-N 2 2 383.879 3.983 20 0 GHADLP Cn1c2ccc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2sc1=O ZINC000502326391 847741936 /nfs/dbraw/zinc/74/19/36/847741936.db2.gz NRVCCAHLELOZPG-MRXNPFEDSA-N 2 2 382.533 3.512 20 0 GHADLP Cn1c2ccc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2sc1=O ZINC000502326391 847741941 /nfs/dbraw/zinc/74/19/41/847741941.db2.gz NRVCCAHLELOZPG-MRXNPFEDSA-N 2 2 382.533 3.512 20 0 GHADLP CCCOc1ccc(Oc2ncccc2C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000422697966 847772541 /nfs/dbraw/zinc/77/25/41/847772541.db2.gz WZMMVXYIQDDOFV-IEBWSBKVSA-N 2 2 385.508 3.519 20 0 GHADLP COc1cc([C@H](C)[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)ccc1OCc1ccccc1 ZINC000422723294 847798125 /nfs/dbraw/zinc/79/81/25/847798125.db2.gz QUTBNQJPTFXRJR-BBTUJRGHSA-N 2 2 384.520 3.692 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1)[C@H]1CCC[NH2+]1 ZINC000422877780 847865642 /nfs/dbraw/zinc/86/56/42/847865642.db2.gz IKFRIMUPMXTJKT-PGRDOPGGSA-N 2 2 381.520 3.714 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H](C)c1nc2ccccc2s1 ZINC000582656810 847940352 /nfs/dbraw/zinc/94/03/52/847940352.db2.gz VCOQIGWLHBVJTI-MBOZVWFJSA-N 2 2 395.572 3.797 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H](C)c1nc2ccccc2s1 ZINC000582656810 847940358 /nfs/dbraw/zinc/94/03/58/847940358.db2.gz VCOQIGWLHBVJTI-MBOZVWFJSA-N 2 2 395.572 3.797 20 0 GHADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109881 848201574 /nfs/dbraw/zinc/20/15/74/848201574.db2.gz QRTMTQZSLNVBTN-UNMCSNQZSA-N 2 2 379.548 3.660 20 0 GHADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109881 848201586 /nfs/dbraw/zinc/20/15/86/848201586.db2.gz QRTMTQZSLNVBTN-UNMCSNQZSA-N 2 2 379.548 3.660 20 0 GHADLP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109881 848201598 /nfs/dbraw/zinc/20/15/98/848201598.db2.gz QRTMTQZSLNVBTN-UNMCSNQZSA-N 2 2 379.548 3.660 20 0 GHADLP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109881 848201609 /nfs/dbraw/zinc/20/16/09/848201609.db2.gz QRTMTQZSLNVBTN-UNMCSNQZSA-N 2 2 379.548 3.660 20 0 GHADLP CCc1sc(-c2nnc(C[N@H+]3CC[C@@H](OCC[NH+](CC)CC)C3)o2)cc1C ZINC000472266451 848456787 /nfs/dbraw/zinc/45/67/87/848456787.db2.gz XCHCOBFIAIBLJR-MRXNPFEDSA-N 2 2 392.569 3.602 20 0 GHADLP CCc1sc(-c2nnc(C[N@@H+]3CC[C@@H](OCC[NH+](CC)CC)C3)o2)cc1C ZINC000472266451 848456789 /nfs/dbraw/zinc/45/67/89/848456789.db2.gz XCHCOBFIAIBLJR-MRXNPFEDSA-N 2 2 392.569 3.602 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000548774680 848469468 /nfs/dbraw/zinc/46/94/68/848469468.db2.gz VIQWYSMWXZAJID-PKOBYXMFSA-N 2 2 377.492 3.675 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000548774680 848469473 /nfs/dbraw/zinc/46/94/73/848469473.db2.gz VIQWYSMWXZAJID-PKOBYXMFSA-N 2 2 377.492 3.675 20 0 GHADLP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3Cc4cccc(Cl)c4C3)CC2)c1 ZINC001168745180 861931816 /nfs/dbraw/zinc/93/18/16/861931816.db2.gz SWCQOPXYAWQUHN-FQEVSTJZSA-N 2 2 398.934 3.848 20 0 GHADLP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000583292821 849559702 /nfs/dbraw/zinc/55/97/02/849559702.db2.gz FGWIFFWKXFEJPL-XLIONFOSSA-N 2 2 377.492 3.851 20 0 GHADLP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000583292821 849559711 /nfs/dbraw/zinc/55/97/11/849559711.db2.gz FGWIFFWKXFEJPL-XLIONFOSSA-N 2 2 377.492 3.851 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)Cc1ccccc1C(F)(F)F ZINC000583301692 849568681 /nfs/dbraw/zinc/56/86/81/849568681.db2.gz RKAPUEZATIHLON-MRXNPFEDSA-N 2 2 393.384 3.723 20 0 GHADLP COCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000583321518 849630449 /nfs/dbraw/zinc/63/04/49/849630449.db2.gz OFICPKPMZLBOHO-JOCHJYFZSA-N 2 2 393.531 3.558 20 0 GHADLP COCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000583321518 849630455 /nfs/dbraw/zinc/63/04/55/849630455.db2.gz OFICPKPMZLBOHO-JOCHJYFZSA-N 2 2 393.531 3.558 20 0 GHADLP CC[S@](=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000162897797 849648316 /nfs/dbraw/zinc/64/83/16/849648316.db2.gz LLVBVVAWYSGGCN-ISJBWFOZSA-N 2 2 380.573 3.502 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)NCC3CCCCC3)C2)s1 ZINC000583348654 849674953 /nfs/dbraw/zinc/67/49/53/849674953.db2.gz ZDFOTMOMWMERPM-QUCCMNQESA-N 2 2 391.625 3.895 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)NCC3CCCCC3)C2)s1 ZINC000583348654 849674957 /nfs/dbraw/zinc/67/49/57/849674957.db2.gz ZDFOTMOMWMERPM-QUCCMNQESA-N 2 2 391.625 3.895 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NCC3CCCCC3)C2)s1 ZINC000583348654 849674959 /nfs/dbraw/zinc/67/49/59/849674959.db2.gz ZDFOTMOMWMERPM-QUCCMNQESA-N 2 2 391.625 3.895 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NCC3CCCCC3)C2)s1 ZINC000583348654 849674964 /nfs/dbraw/zinc/67/49/64/849674964.db2.gz ZDFOTMOMWMERPM-QUCCMNQESA-N 2 2 391.625 3.895 20 0 GHADLP C[C@H](C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732062699 862051104 /nfs/dbraw/zinc/05/11/04/862051104.db2.gz WJNMFEHQUKFKKZ-KNQAVFIVSA-N 2 2 396.579 3.757 20 0 GHADLP C[C@@H](NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423104733 849755046 /nfs/dbraw/zinc/75/50/46/849755046.db2.gz MPCZHKHUZPCVAT-COXVUDFISA-N 2 2 377.882 3.995 20 0 GHADLP C[C@@H](NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423104733 849755049 /nfs/dbraw/zinc/75/50/49/849755049.db2.gz MPCZHKHUZPCVAT-COXVUDFISA-N 2 2 377.882 3.995 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H]3CCc4ccccc4NC3=O)C2)s1 ZINC000583384570 849760660 /nfs/dbraw/zinc/76/06/60/849760660.db2.gz YEQDDDQUYHDGKG-DYESRHJHSA-N 2 2 383.561 3.764 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H]3CCc4ccccc4NC3=O)C2)s1 ZINC000583384570 849760667 /nfs/dbraw/zinc/76/06/67/849760667.db2.gz YEQDDDQUYHDGKG-DYESRHJHSA-N 2 2 383.561 3.764 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H]3CCc4ccccc4NC3=O)C2)s1 ZINC000583384570 849760673 /nfs/dbraw/zinc/76/06/73/849760673.db2.gz YEQDDDQUYHDGKG-DYESRHJHSA-N 2 2 383.561 3.764 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H]3CCc4ccccc4NC3=O)C2)s1 ZINC000583384570 849760679 /nfs/dbraw/zinc/76/06/79/849760679.db2.gz YEQDDDQUYHDGKG-DYESRHJHSA-N 2 2 383.561 3.764 20 0 GHADLP C[C@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000423187409 849795160 /nfs/dbraw/zinc/79/51/60/849795160.db2.gz PHDYOZHDKBINTO-HNAYVOBHSA-N 2 2 380.374 3.534 20 0 GHADLP C[C@H](NC1CC[NH+](Cc2cccc(Br)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000423187409 849795184 /nfs/dbraw/zinc/79/51/84/849795184.db2.gz PHDYOZHDKBINTO-HNAYVOBHSA-N 2 2 380.374 3.534 20 0 GHADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423262652 849821180 /nfs/dbraw/zinc/82/11/80/849821180.db2.gz NCHIWIRIDAQFKY-IIBYNOLFSA-N 2 2 378.582 3.961 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000156231642 849825995 /nfs/dbraw/zinc/82/59/95/849825995.db2.gz XKJBLDZOWRXBLT-GOSISDBHSA-N 2 2 391.519 3.714 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3OC)C2)cc1)C(C)C ZINC000505550223 849848547 /nfs/dbraw/zinc/84/85/47/849848547.db2.gz MRONVJZEKQKFKK-JOCHJYFZSA-N 2 2 395.547 3.712 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3OC)C2)cc1)C(C)C ZINC000505550223 849848556 /nfs/dbraw/zinc/84/85/56/849848556.db2.gz MRONVJZEKQKFKK-JOCHJYFZSA-N 2 2 395.547 3.712 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423432065 849928888 /nfs/dbraw/zinc/92/88/88/849928888.db2.gz JBWPEDLYCUXYNF-CZAAIQMYSA-N 2 2 380.536 3.766 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423432065 849928894 /nfs/dbraw/zinc/92/88/94/849928894.db2.gz JBWPEDLYCUXYNF-CZAAIQMYSA-N 2 2 380.536 3.766 20 0 GHADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000522549898 862073309 /nfs/dbraw/zinc/07/33/09/862073309.db2.gz TUSXKRNTORDIGM-XMMPIXPASA-N 2 2 393.575 3.868 20 0 GHADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000522549898 862073321 /nfs/dbraw/zinc/07/33/21/862073321.db2.gz TUSXKRNTORDIGM-XMMPIXPASA-N 2 2 393.575 3.868 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(-c2ccccc2Br)s1 ZINC000423522941 849966847 /nfs/dbraw/zinc/96/68/47/849966847.db2.gz MLDUDUJDUZBZIE-OLZOCXBDSA-N 2 2 381.339 3.817 20 0 GHADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000504239268 849982671 /nfs/dbraw/zinc/98/26/71/849982671.db2.gz KQORXWMZLLAZMA-LNLFQRSKSA-N 2 2 385.474 3.522 20 0 GHADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000504239268 849982675 /nfs/dbraw/zinc/98/26/75/849982675.db2.gz KQORXWMZLLAZMA-LNLFQRSKSA-N 2 2 385.474 3.522 20 0 GHADLP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000423829867 850078236 /nfs/dbraw/zinc/07/82/36/850078236.db2.gz PNZZKBZGJFLVRP-YXKWSERDSA-N 2 2 375.875 3.674 20 0 GHADLP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000423829867 850078242 /nfs/dbraw/zinc/07/82/42/850078242.db2.gz PNZZKBZGJFLVRP-YXKWSERDSA-N 2 2 375.875 3.674 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000425294210 850177858 /nfs/dbraw/zinc/17/78/58/850177858.db2.gz CZCDYRIBTHQOMZ-LEWJYISDSA-N 2 2 380.536 3.845 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000425294210 850177866 /nfs/dbraw/zinc/17/78/66/850177866.db2.gz CZCDYRIBTHQOMZ-LEWJYISDSA-N 2 2 380.536 3.845 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2ccc(F)c(C3CC3)c2)([NH+]2CCCCC2)CC1 ZINC000439804476 850427276 /nfs/dbraw/zinc/42/72/76/850427276.db2.gz HSGGYUPWIMDWLS-UHFFFAOYSA-N 2 2 388.531 3.775 20 0 GHADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 ZINC000435371345 850438350 /nfs/dbraw/zinc/43/83/50/850438350.db2.gz MFMLDUTXUOEYRR-LJQANCHMSA-N 2 2 384.520 3.714 20 0 GHADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 ZINC000435371345 850438356 /nfs/dbraw/zinc/43/83/56/850438356.db2.gz MFMLDUTXUOEYRR-LJQANCHMSA-N 2 2 384.520 3.714 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)Cc1ccc2ccccc2c1 ZINC000514996678 850565191 /nfs/dbraw/zinc/56/51/91/850565191.db2.gz JGAWMAUFTORRNA-OAQYLSRUSA-N 2 2 375.447 3.858 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000505110507 850630595 /nfs/dbraw/zinc/63/05/95/850630595.db2.gz UVGOVEFLWHMSHI-FQEVSTJZSA-N 2 2 396.441 3.968 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000505110507 850630605 /nfs/dbraw/zinc/63/06/05/850630605.db2.gz UVGOVEFLWHMSHI-FQEVSTJZSA-N 2 2 396.441 3.968 20 0 GHADLP Cc1scc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000180480035 862163484 /nfs/dbraw/zinc/16/34/84/862163484.db2.gz VLAXMQLLBKNNKH-PMACEKPBSA-N 2 2 377.598 3.774 20 0 GHADLP Cc1scc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000180480035 862163490 /nfs/dbraw/zinc/16/34/90/862163490.db2.gz VLAXMQLLBKNNKH-PMACEKPBSA-N 2 2 377.598 3.774 20 0 GHADLP O=C(C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1cc(F)cc(F)c1 ZINC000435691640 850770766 /nfs/dbraw/zinc/77/07/66/850770766.db2.gz HGKRFJRFWUAVSE-GOSISDBHSA-N 2 2 391.487 3.609 20 0 GHADLP O=C(C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1cc(F)cc(F)c1 ZINC000435691640 850770775 /nfs/dbraw/zinc/77/07/75/850770775.db2.gz HGKRFJRFWUAVSE-GOSISDBHSA-N 2 2 391.487 3.609 20 0 GHADLP COc1cc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc(Br)c1OC(F)F ZINC000414830020 850840350 /nfs/dbraw/zinc/84/03/50/850840350.db2.gz AHXRXZOFTFIKMK-LLVKDONJSA-N 2 2 381.261 3.522 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc2c(c1)OCCO2 ZINC000487880001 850949062 /nfs/dbraw/zinc/94/90/62/850949062.db2.gz NAQOCHLYINTVOJ-IBGZPJMESA-N 2 2 386.536 3.619 20 0 GHADLP O=C(CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc2c(c1)OCCO2 ZINC000487880001 850949068 /nfs/dbraw/zinc/94/90/68/850949068.db2.gz NAQOCHLYINTVOJ-IBGZPJMESA-N 2 2 386.536 3.619 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N(C)Cc3cccs3)C2)s1 ZINC000519408593 851016115 /nfs/dbraw/zinc/01/61/15/851016115.db2.gz BMKCRNBEEIVCKB-KRWDZBQOSA-N 2 2 391.606 3.530 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N(C)Cc3cccs3)C2)s1 ZINC000519408593 851016127 /nfs/dbraw/zinc/01/61/27/851016127.db2.gz BMKCRNBEEIVCKB-KRWDZBQOSA-N 2 2 391.606 3.530 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N(C)Cc3cccs3)C2)s1 ZINC000519408593 851016135 /nfs/dbraw/zinc/01/61/35/851016135.db2.gz BMKCRNBEEIVCKB-KRWDZBQOSA-N 2 2 391.606 3.530 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N(C)Cc3cccs3)C2)s1 ZINC000519408593 851016145 /nfs/dbraw/zinc/01/61/45/851016145.db2.gz BMKCRNBEEIVCKB-KRWDZBQOSA-N 2 2 391.606 3.530 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N(C)Cc3cccs3)C2)s1 ZINC000519408594 851016336 /nfs/dbraw/zinc/01/63/36/851016336.db2.gz BMKCRNBEEIVCKB-QGZVFWFLSA-N 2 2 391.606 3.530 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N(C)Cc3cccs3)C2)s1 ZINC000519408594 851016346 /nfs/dbraw/zinc/01/63/46/851016346.db2.gz BMKCRNBEEIVCKB-QGZVFWFLSA-N 2 2 391.606 3.530 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N(C)Cc3cccs3)C2)s1 ZINC000519408594 851016352 /nfs/dbraw/zinc/01/63/52/851016352.db2.gz BMKCRNBEEIVCKB-QGZVFWFLSA-N 2 2 391.606 3.530 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N(C)Cc3cccs3)C2)s1 ZINC000519408594 851016361 /nfs/dbraw/zinc/01/63/61/851016361.db2.gz BMKCRNBEEIVCKB-QGZVFWFLSA-N 2 2 391.606 3.530 20 0 GHADLP COC(=O)[C@@H](CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000425444811 851096748 /nfs/dbraw/zinc/09/67/48/851096748.db2.gz OEFHEADMBXHQHP-CTNGQTDRSA-N 2 2 381.520 3.746 20 0 GHADLP COC(=O)[C@@H](CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000425444811 851096751 /nfs/dbraw/zinc/09/67/51/851096751.db2.gz OEFHEADMBXHQHP-CTNGQTDRSA-N 2 2 381.520 3.746 20 0 GHADLP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000488264243 851327631 /nfs/dbraw/zinc/32/76/31/851327631.db2.gz BMLWBEQYWCDYOW-OAHLLOKOSA-N 2 2 396.373 3.830 20 0 GHADLP C[C@@H]1CCN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000119650364 851363249 /nfs/dbraw/zinc/36/32/49/851363249.db2.gz SERRKRRXNQEVHM-LSWJPFSZSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@@H]1CCN(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000119650364 851363257 /nfs/dbraw/zinc/36/32/57/851363257.db2.gz SERRKRRXNQEVHM-LSWJPFSZSA-N 2 2 395.551 3.530 20 0 GHADLP c1ccc([C@@H]2CC[C@@H]([NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)C2)cc1 ZINC000436277395 851420752 /nfs/dbraw/zinc/42/07/52/851420752.db2.gz XROGBFKUBBNHIP-FYYLOGMGSA-N 2 2 380.532 3.824 20 0 GHADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cccc(OCc3ccccc3F)c2)C[C@H](C)O1 ZINC000517542836 852072694 /nfs/dbraw/zinc/07/26/94/852072694.db2.gz DSYUTOQDYNMVSN-OALUTQOASA-N 2 2 386.511 3.994 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000517596186 852129741 /nfs/dbraw/zinc/12/97/41/852129741.db2.gz MIMBMXMFANLXTG-MAUKXSAKSA-N 2 2 378.442 3.538 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000517596186 852129743 /nfs/dbraw/zinc/12/97/43/852129743.db2.gz MIMBMXMFANLXTG-MAUKXSAKSA-N 2 2 378.442 3.538 20 0 GHADLP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000516070472 852135948 /nfs/dbraw/zinc/13/59/48/852135948.db2.gz FYALDHCSZKVHBT-LTMIRXACSA-N 2 2 394.563 3.782 20 0 GHADLP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000516070472 852135956 /nfs/dbraw/zinc/13/59/56/852135956.db2.gz FYALDHCSZKVHBT-LTMIRXACSA-N 2 2 394.563 3.782 20 0 GHADLP CCC(CC)(CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[NH2+][C@H](C)c1ccccc1 ZINC000489327677 852232745 /nfs/dbraw/zinc/23/27/45/852232745.db2.gz HBDSWBYRAMOGLP-GOSISDBHSA-N 2 2 391.519 3.907 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000329818071 862342741 /nfs/dbraw/zinc/34/27/41/862342741.db2.gz FQBGIURNDURUCF-NRFANRHFSA-N 2 2 396.535 3.742 20 0 GHADLP COc1cccc2c1CC[C@H](Nc1ccc(N3CCC([NH+](C)C)CC3)c[nH+]1)C2 ZINC000426016808 852424666 /nfs/dbraw/zinc/42/46/66/852424666.db2.gz KPSKTDVHHPWNIM-SFHVURJKSA-N 2 2 380.536 3.590 20 0 GHADLP CCn1c(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nc2c1cccc2F ZINC000489605358 852481570 /nfs/dbraw/zinc/48/15/70/852481570.db2.gz OKYHBKYYYMBBHR-IAGOWNOFSA-N 2 2 388.531 3.517 20 0 GHADLP Brc1ccc(-c2ncc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)s2)cc1 ZINC000427146988 852773726 /nfs/dbraw/zinc/77/37/26/852773726.db2.gz ZEUCXSRUELACDA-CZUORRHYSA-N 2 2 378.339 3.756 20 0 GHADLP Brc1ccc(-c2ncc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)s2)cc1 ZINC000427146988 852773733 /nfs/dbraw/zinc/77/37/33/852773733.db2.gz ZEUCXSRUELACDA-CZUORRHYSA-N 2 2 378.339 3.756 20 0 GHADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)[C@H](C)C2 ZINC000490158237 852797599 /nfs/dbraw/zinc/79/75/99/852797599.db2.gz QUBPWKJPZKQWCP-NTKDMRAZSA-N 2 2 380.532 3.729 20 0 GHADLP CC(C)[N@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)Cc1cccs1 ZINC000516746134 852967103 /nfs/dbraw/zinc/96/71/03/852967103.db2.gz JOJBTRQAPLXQBL-LJQANCHMSA-N 2 2 385.577 3.864 20 0 GHADLP CC(C)[N@@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)Cc1cccs1 ZINC000516746134 852967106 /nfs/dbraw/zinc/96/71/06/852967106.db2.gz JOJBTRQAPLXQBL-LJQANCHMSA-N 2 2 385.577 3.864 20 0 GHADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccncc3OC[C@H]3CCOC3)CC2)C1 ZINC000490370939 852986112 /nfs/dbraw/zinc/98/61/12/852986112.db2.gz OWRWNLDQZSGLNN-DXIQSLLYSA-N 2 2 387.568 3.630 20 0 GHADLP C[NH+](C)CCCCCCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000151063315 853014016 /nfs/dbraw/zinc/01/40/16/853014016.db2.gz JELBHMZSRGOKKG-FCHUYYIVSA-N 2 2 397.567 3.923 20 0 GHADLP CC(C)Oc1ccc2ccccc2c1C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000516870919 853101392 /nfs/dbraw/zinc/10/13/92/853101392.db2.gz RSDYDAWJNOVPNG-UHFFFAOYSA-N 2 2 382.548 3.954 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000439083079 853268283 /nfs/dbraw/zinc/26/82/83/853268283.db2.gz FPTIQWVCJQAFQZ-KRWDZBQOSA-N 2 2 381.520 3.753 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000439083079 853268293 /nfs/dbraw/zinc/26/82/93/853268293.db2.gz FPTIQWVCJQAFQZ-KRWDZBQOSA-N 2 2 381.520 3.753 20 0 GHADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000491060517 853432630 /nfs/dbraw/zinc/43/26/30/853432630.db2.gz OGQMZOSDQNHLPB-PZJWPPBQSA-N 2 2 385.939 3.606 20 0 GHADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000491060517 853432633 /nfs/dbraw/zinc/43/26/33/853432633.db2.gz OGQMZOSDQNHLPB-PZJWPPBQSA-N 2 2 385.939 3.606 20 0 GHADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000623853327 862470353 /nfs/dbraw/zinc/47/03/53/862470353.db2.gz UJACJCHKMTYPGD-QGZVFWFLSA-N 2 2 387.549 3.622 20 0 GHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C3CCCCC3)C3CCCCC3)C2)C1 ZINC000518573275 853521298 /nfs/dbraw/zinc/52/12/98/853521298.db2.gz LIMGOFOOYRXXNF-HSZRJFAPSA-N 2 2 375.601 3.898 20 0 GHADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C3CCCCC3)C3CCCCC3)C2)C1 ZINC000518573275 853521304 /nfs/dbraw/zinc/52/13/04/853521304.db2.gz LIMGOFOOYRXXNF-HSZRJFAPSA-N 2 2 375.601 3.898 20 0 GHADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)C2)C1 ZINC000518573275 853521312 /nfs/dbraw/zinc/52/13/12/853521312.db2.gz LIMGOFOOYRXXNF-HSZRJFAPSA-N 2 2 375.601 3.898 20 0 GHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)C2)C1 ZINC000518573275 853521321 /nfs/dbraw/zinc/52/13/21/853521321.db2.gz LIMGOFOOYRXXNF-HSZRJFAPSA-N 2 2 375.601 3.898 20 0 GHADLP COc1ccc(CC[C@@H](C)[NH2+]c2ccc(N3CC[NH+](C)CC3)cc2C)cc1O ZINC000426393389 853679210 /nfs/dbraw/zinc/67/92/10/853679210.db2.gz DLQWGBILHSTGER-GOSISDBHSA-N 2 2 383.536 3.894 20 0 GHADLP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000415969651 853679502 /nfs/dbraw/zinc/67/95/02/853679502.db2.gz YRXLFQKTPSZCII-MOPGFXCFSA-N 2 2 390.890 3.765 20 0 GHADLP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000415969651 853679508 /nfs/dbraw/zinc/67/95/08/853679508.db2.gz YRXLFQKTPSZCII-MOPGFXCFSA-N 2 2 390.890 3.765 20 0 GHADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520111993 853856409 /nfs/dbraw/zinc/85/64/09/853856409.db2.gz SCJYRIGWFVWLOD-SFHVURJKSA-N 2 2 378.451 3.862 20 0 GHADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520111993 853856411 /nfs/dbraw/zinc/85/64/11/853856411.db2.gz SCJYRIGWFVWLOD-SFHVURJKSA-N 2 2 378.451 3.862 20 0 GHADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCC(C(C)(C)C)CC1 ZINC000520129824 853862931 /nfs/dbraw/zinc/86/29/31/853862931.db2.gz VCZDUPSAOZRCKS-UHFFFAOYSA-N 2 2 386.584 3.657 20 0 GHADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCC(C(C)(C)C)CC1 ZINC000520129824 853862937 /nfs/dbraw/zinc/86/29/37/853862937.db2.gz VCZDUPSAOZRCKS-UHFFFAOYSA-N 2 2 386.584 3.657 20 0 GHADLP Cc1cc([C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)c2cccnc2)ccc1F ZINC000571559173 853948841 /nfs/dbraw/zinc/94/88/41/853948841.db2.gz JIQIYAMFXOKZKD-HSZRJFAPSA-N 2 2 394.494 3.744 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000441393287 854176509 /nfs/dbraw/zinc/17/65/09/854176509.db2.gz GPABSIFWDVUZEE-FJIJXJHWSA-N 2 2 381.564 3.511 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000441393287 854176512 /nfs/dbraw/zinc/17/65/12/854176512.db2.gz GPABSIFWDVUZEE-FJIJXJHWSA-N 2 2 381.564 3.511 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C2CC2)cc1 ZINC000441393287 854176516 /nfs/dbraw/zinc/17/65/16/854176516.db2.gz GPABSIFWDVUZEE-FJIJXJHWSA-N 2 2 381.564 3.511 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C2CC2)cc1 ZINC000441393287 854176520 /nfs/dbraw/zinc/17/65/20/854176520.db2.gz GPABSIFWDVUZEE-FJIJXJHWSA-N 2 2 381.564 3.511 20 0 GHADLP COc1c(Cl)cc(Cl)cc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000572287586 854474498 /nfs/dbraw/zinc/47/44/98/854474498.db2.gz XFYOTZVDPLAGAM-JWTNVVGKSA-N 2 2 398.378 3.745 20 0 GHADLP COc1c(Cl)cc(Cl)cc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000572287586 854474501 /nfs/dbraw/zinc/47/45/01/854474501.db2.gz XFYOTZVDPLAGAM-JWTNVVGKSA-N 2 2 398.378 3.745 20 0 GHADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000765791550 854820142 /nfs/dbraw/zinc/82/01/42/854820142.db2.gz MUBWYLBMKBYSKW-PMVMPFDFSA-N 2 2 384.495 3.571 20 0 GHADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000765791550 854820145 /nfs/dbraw/zinc/82/01/45/854820145.db2.gz MUBWYLBMKBYSKW-PMVMPFDFSA-N 2 2 384.495 3.571 20 0 GHADLP CC[C@H]1CCCC[C@@H]1N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466593839 862618003 /nfs/dbraw/zinc/61/80/03/862618003.db2.gz URRXWHHWHMFQPW-PMACEKPBSA-N 2 2 378.605 3.547 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000624578670 854917068 /nfs/dbraw/zinc/91/70/68/854917068.db2.gz YTHCCXQFJUXGRW-UHFFFAOYSA-N 2 2 380.492 3.545 20 0 GHADLP [NH3+]CCCCC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000572635706 854936008 /nfs/dbraw/zinc/93/60/08/854936008.db2.gz CWKRXOIZMDZBFE-QFIPXVFZSA-N 2 2 385.939 3.703 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+](Cc2noc(-c3ccc(F)cc3F)n2)CC1 ZINC000188970707 854978451 /nfs/dbraw/zinc/97/84/51/854978451.db2.gz VBRUOXMAQKFDLS-UHFFFAOYSA-N 2 2 378.467 3.959 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2noc(-c3ccc(F)cc3F)n2)CC1 ZINC000188970707 854978455 /nfs/dbraw/zinc/97/84/55/854978455.db2.gz VBRUOXMAQKFDLS-UHFFFAOYSA-N 2 2 378.467 3.959 20 0 GHADLP CCCC[NH+]1CCC(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000441502658 855485614 /nfs/dbraw/zinc/48/56/14/855485614.db2.gz QSAHFFSHQLFDKN-JOCHJYFZSA-N 2 2 397.567 3.805 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590851754 855615408 /nfs/dbraw/zinc/61/54/08/855615408.db2.gz JUXJNEIRLLOEOB-UGKGYDQZSA-N 2 2 395.551 3.804 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590851754 855615413 /nfs/dbraw/zinc/61/54/13/855615413.db2.gz JUXJNEIRLLOEOB-UGKGYDQZSA-N 2 2 395.551 3.804 20 0 GHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc3ccccc3C1)CCS2 ZINC000427602986 855774728 /nfs/dbraw/zinc/77/47/28/855774728.db2.gz IGGHILQEXVURBC-IRLDBZIGSA-N 2 2 382.573 3.849 20 0 GHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc3ccccc3C1)CCS2 ZINC000427602986 855774733 /nfs/dbraw/zinc/77/47/33/855774733.db2.gz IGGHILQEXVURBC-IRLDBZIGSA-N 2 2 382.573 3.849 20 0 GHADLP Cc1ccc(N2CCC(C(=O)N(CC[NH+](C)C)CC3CCCCC3)CC2)[nH+]c1 ZINC000591153668 855799879 /nfs/dbraw/zinc/79/98/79/855799879.db2.gz UNTLKCMIPVWWGP-UHFFFAOYSA-N 2 2 386.584 3.577 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCCCCC[NH+](C)C)CC1 ZINC000765880866 855885023 /nfs/dbraw/zinc/88/50/23/855885023.db2.gz MMPOMXBENSIWQE-GOSISDBHSA-N 2 2 380.602 3.648 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591457679 855999437 /nfs/dbraw/zinc/99/94/37/855999437.db2.gz FWKUGNANBXCDHM-PMACEKPBSA-N 2 2 396.535 3.614 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591457679 855999444 /nfs/dbraw/zinc/99/94/44/855999444.db2.gz FWKUGNANBXCDHM-PMACEKPBSA-N 2 2 396.535 3.614 20 0 GHADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000542840585 856105795 /nfs/dbraw/zinc/10/57/95/856105795.db2.gz NHKHSVQYNPAPCN-ZDUSSCGKSA-N 2 2 380.355 3.956 20 0 GHADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000542840585 856105800 /nfs/dbraw/zinc/10/58/00/856105800.db2.gz NHKHSVQYNPAPCN-ZDUSSCGKSA-N 2 2 380.355 3.956 20 0 GHADLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000760839838 856142766 /nfs/dbraw/zinc/14/27/66/856142766.db2.gz DCVUCZXFJKTZDH-DNQXCXABSA-N 2 2 391.559 3.632 20 0 GHADLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000760839838 856142770 /nfs/dbraw/zinc/14/27/70/856142770.db2.gz DCVUCZXFJKTZDH-DNQXCXABSA-N 2 2 391.559 3.632 20 0 GHADLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000760839838 856142774 /nfs/dbraw/zinc/14/27/74/856142774.db2.gz DCVUCZXFJKTZDH-DNQXCXABSA-N 2 2 391.559 3.632 20 0 GHADLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000760839838 856142779 /nfs/dbraw/zinc/14/27/79/856142779.db2.gz DCVUCZXFJKTZDH-DNQXCXABSA-N 2 2 391.559 3.632 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](CC(F)F)CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895113181 856179235 /nfs/dbraw/zinc/17/92/35/856179235.db2.gz UOECZWFJMBSZNB-JYJNAYRXSA-N 2 2 398.498 3.706 20 0 GHADLP Clc1ccc(I)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000405488128 856255073 /nfs/dbraw/zinc/25/50/73/856255073.db2.gz ZBWWUMQTEDEBIH-LLVKDONJSA-N 2 2 390.696 3.519 20 0 GHADLP Clc1ccc(I)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000405488128 856255076 /nfs/dbraw/zinc/25/50/76/856255076.db2.gz ZBWWUMQTEDEBIH-LLVKDONJSA-N 2 2 390.696 3.519 20 0 GHADLP COCCn1c(C)cc(C(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1C ZINC000674750354 856777766 /nfs/dbraw/zinc/77/77/66/856777766.db2.gz NTUIOKAYPKMKCS-UHFFFAOYSA-N 2 2 389.584 3.522 20 0 GHADLP Clc1ccc(-n2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)nn2)cc1Cl ZINC000542927356 856849046 /nfs/dbraw/zinc/84/90/46/856849046.db2.gz HBJMKBQWQIRTFF-UHFFFAOYSA-N 2 2 377.279 3.677 20 0 GHADLP O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047296568 856991972 /nfs/dbraw/zinc/99/19/72/856991972.db2.gz ROHLKMQCTBFNEV-UHFFFAOYSA-N 2 2 388.515 3.847 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665252762 857006962 /nfs/dbraw/zinc/00/69/62/857006962.db2.gz YGSXXQMVWMFDMA-YXKFXFPPSA-N 2 2 391.437 3.556 20 0 GHADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665252287 857019642 /nfs/dbraw/zinc/01/96/42/857019642.db2.gz LYYCWKPRKLZYAW-QLVMHMETSA-N 2 2 387.474 3.726 20 0 GHADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063745544 857048430 /nfs/dbraw/zinc/04/84/30/857048430.db2.gz VJYIYMDDKDIWFG-UHFFFAOYSA-N 2 2 380.536 3.660 20 0 GHADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000665256732 857134461 /nfs/dbraw/zinc/13/44/61/857134461.db2.gz KSNPIVRQYVOPDF-NQSCKRDGSA-N 2 2 383.511 3.895 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000665256503 857138041 /nfs/dbraw/zinc/13/80/41/857138041.db2.gz CAPWESVHHZSYGL-RTFZILSDSA-N 2 2 376.504 3.677 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CC(=O)Nc2cccc(C)c2)cc1F ZINC000665258928 857191585 /nfs/dbraw/zinc/19/15/85/857191585.db2.gz PGYIDOABISSFMM-PBEJRMEISA-N 2 2 399.510 3.595 20 0 GHADLP C[NH+](C)CCCOc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000593131146 857355264 /nfs/dbraw/zinc/35/52/64/857355264.db2.gz QOYQZQSNKPIJBZ-UHFFFAOYSA-N 2 2 378.476 3.514 20 0 GHADLP Fc1cccc(N2CCCC2)c1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000520952264 857432289 /nfs/dbraw/zinc/43/22/89/857432289.db2.gz KLOVPEFYOMQKDT-UHFFFAOYSA-N 2 2 396.554 3.728 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675499903 857476237 /nfs/dbraw/zinc/47/62/37/857476237.db2.gz SIHYEEFJKGGZIM-RBUKOAKNSA-N 2 2 388.515 3.623 20 0 GHADLP CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000907124391 857484150 /nfs/dbraw/zinc/48/41/50/857484150.db2.gz PSJQKUBKOVILNN-XZOQPEGZSA-N 2 2 399.579 3.607 20 0 GHADLP CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000907124391 857484154 /nfs/dbraw/zinc/48/41/54/857484154.db2.gz PSJQKUBKOVILNN-XZOQPEGZSA-N 2 2 399.579 3.607 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675920785 857665334 /nfs/dbraw/zinc/66/53/34/857665334.db2.gz KZQZUYFJGSYTST-OXQOHEQNSA-N 2 2 380.467 3.850 20 0 GHADLP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000521590468 858153472 /nfs/dbraw/zinc/15/34/72/858153472.db2.gz ATZOMKLIXARUPM-USCONSEESA-N 2 2 389.503 3.631 20 0 GHADLP C[C@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000442889418 858210476 /nfs/dbraw/zinc/21/04/76/858210476.db2.gz KBBNSXQOXRBBJE-SFHVURJKSA-N 2 2 393.597 3.755 20 0 GHADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000066876926 858335709 /nfs/dbraw/zinc/33/57/09/858335709.db2.gz AUPUZCSOBYTZOF-UHFFFAOYSA-N 2 2 380.467 3.522 20 0 GHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2CC(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000466152102 858483130 /nfs/dbraw/zinc/48/31/30/858483130.db2.gz CNLYEQAFCSYQEZ-LJQANCHMSA-N 2 2 378.605 3.547 20 0 GHADLP C[C@H](OC[C@@H](O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000761117635 858555725 /nfs/dbraw/zinc/55/57/25/858555725.db2.gz KFGXFVIFAFQEJO-JXFKEZNVSA-N 2 2 389.927 3.750 20 0 GHADLP CC1(C)CN(C2(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCCCC2)CCO1 ZINC000595625208 858620756 /nfs/dbraw/zinc/62/07/56/858620756.db2.gz SAZMKABLYCLTMP-UHFFFAOYSA-N 2 2 382.552 3.776 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCC1)c1ccccc1 ZINC000522230063 858856200 /nfs/dbraw/zinc/85/62/00/858856200.db2.gz XVUWUHOGQIWWTA-AZUAARDMSA-N 2 2 395.551 3.962 20 0 GHADLP C[NH+](C)CCOC1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443511138 858857683 /nfs/dbraw/zinc/85/76/83/858857683.db2.gz PRQKDNAEBXAZEX-UHFFFAOYSA-N 2 2 396.304 3.683 20 0 GHADLP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2OCC2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000482789676 858865287 /nfs/dbraw/zinc/86/52/87/858865287.db2.gz LZPJWBZPUCRVOV-LAUBAEHRSA-N 2 2 391.987 3.587 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000482789676 858865296 /nfs/dbraw/zinc/86/52/96/858865296.db2.gz LZPJWBZPUCRVOV-LAUBAEHRSA-N 2 2 391.987 3.587 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1cc2ccccc2s1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000184377327 858923818 /nfs/dbraw/zinc/92/38/18/858923818.db2.gz XBFJIASVOQQCTQ-IRXDYDNUSA-N 2 2 394.544 3.684 20 0 GHADLP COc1ccc([C@H](C[NH3+])C[NH+](Cc2cccc(C)n2)Cc2cccc(C)n2)cc1 ZINC000568096179 858924345 /nfs/dbraw/zinc/92/43/45/858924345.db2.gz SBGFTGKUFPLOJP-OAQYLSRUSA-N 2 2 390.531 3.847 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc(F)c(Cl)cc1Cl ZINC000482868418 858928462 /nfs/dbraw/zinc/92/84/62/858928462.db2.gz LCXYPQKHPWHYDN-LBPRGKRZSA-N 2 2 390.330 3.726 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000474095671 858960418 /nfs/dbraw/zinc/96/04/18/858960418.db2.gz IVHMXFLEJJNDAP-INIZCTEOSA-N 2 2 384.351 3.951 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncc(C(C)(C)C)s3)C2)ccn1 ZINC000856550333 881365040 /nfs/dbraw/zinc/36/50/40/881365040.db2.gz BXTVNNIIZKGHTN-SFHVURJKSA-N 2 2 388.581 3.941 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncc(C(C)(C)C)s3)C2)ccn1 ZINC000856550333 881365056 /nfs/dbraw/zinc/36/50/56/881365056.db2.gz BXTVNNIIZKGHTN-SFHVURJKSA-N 2 2 388.581 3.941 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ncc(C(C)(C)C)s3)C2)ccn1 ZINC000856550333 881365073 /nfs/dbraw/zinc/36/50/73/881365073.db2.gz BXTVNNIIZKGHTN-SFHVURJKSA-N 2 2 388.581 3.941 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ncc(C(C)(C)C)s3)C2)ccn1 ZINC000856550333 881365088 /nfs/dbraw/zinc/36/50/88/881365088.db2.gz BXTVNNIIZKGHTN-SFHVURJKSA-N 2 2 388.581 3.941 20 0 GHADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000499705696 859107960 /nfs/dbraw/zinc/10/79/60/859107960.db2.gz PCCBPKSQLBKQCD-QFIPXVFZSA-N 2 2 386.511 3.587 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000185659325 859113007 /nfs/dbraw/zinc/11/30/07/859113007.db2.gz GIXWFBZGLNLKIS-VQTJNVASSA-N 2 2 387.549 3.567 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000483121299 859149095 /nfs/dbraw/zinc/14/90/95/859149095.db2.gz ARQDJTBDGSYKQJ-YKSBVNFPSA-N 2 2 379.548 3.838 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000483121299 859149099 /nfs/dbraw/zinc/14/90/99/859149099.db2.gz ARQDJTBDGSYKQJ-YKSBVNFPSA-N 2 2 379.548 3.838 20 0 GHADLP CN(C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477715 859290493 /nfs/dbraw/zinc/29/04/93/859290493.db2.gz TWSLVOSQUNCPAU-CXPUZMLZSA-N 2 2 387.612 3.610 20 0 GHADLP CN(C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477715 859290508 /nfs/dbraw/zinc/29/05/08/859290508.db2.gz TWSLVOSQUNCPAU-CXPUZMLZSA-N 2 2 387.612 3.610 20 0 GHADLP O=C(NC1CC1)[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000069162580 859371914 /nfs/dbraw/zinc/37/19/14/859371914.db2.gz ISQLXBJGJMOERA-JOCHJYFZSA-N 2 2 381.495 3.531 20 0 GHADLP c1cc(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)n(-c2cc[nH+]cc2)n1 ZINC000668249355 859401763 /nfs/dbraw/zinc/40/17/63/859401763.db2.gz NXFFQMUTLKFZQN-UHFFFAOYSA-N 2 2 379.533 3.982 20 0 GHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429453077 859410567 /nfs/dbraw/zinc/41/05/67/859410567.db2.gz ZWWJMGIEYOGPJF-YKSBVNFPSA-N 2 2 382.548 3.897 20 0 GHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429453077 859410570 /nfs/dbraw/zinc/41/05/70/859410570.db2.gz ZWWJMGIEYOGPJF-YKSBVNFPSA-N 2 2 382.548 3.897 20 0 GHADLP Fc1cc([C@@H]2CCCC[C@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc(F)c1F ZINC000895437477 859463340 /nfs/dbraw/zinc/46/33/40/859463340.db2.gz VWILFKVVNZXOGD-ABSDTBQOSA-N 2 2 382.470 3.973 20 0 GHADLP Fc1cc([C@@H]2CCCC[C@@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc(F)c1F ZINC000895437486 859463659 /nfs/dbraw/zinc/46/36/59/859463659.db2.gz VWILFKVVNZXOGD-ZWOKBUDYSA-N 2 2 382.470 3.973 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3csc(C4CC4)n3)C2)ccn1 ZINC000856558973 881426007 /nfs/dbraw/zinc/42/60/07/881426007.db2.gz CUMMRHOOYMKOGV-FQEVSTJZSA-N 2 2 386.565 3.909 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3csc(C4CC4)n3)C2)ccn1 ZINC000856558973 881426017 /nfs/dbraw/zinc/42/60/17/881426017.db2.gz CUMMRHOOYMKOGV-FQEVSTJZSA-N 2 2 386.565 3.909 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3csc(C4CC4)n3)C2)ccn1 ZINC000856558973 881426026 /nfs/dbraw/zinc/42/60/26/881426026.db2.gz CUMMRHOOYMKOGV-FQEVSTJZSA-N 2 2 386.565 3.909 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3csc(C4CC4)n3)C2)ccn1 ZINC000856558973 881426038 /nfs/dbraw/zinc/42/60/38/881426038.db2.gz CUMMRHOOYMKOGV-FQEVSTJZSA-N 2 2 386.565 3.909 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000543393455 859547104 /nfs/dbraw/zinc/54/71/04/859547104.db2.gz FQUCYVAGCNKFKO-JOCHJYFZSA-N 2 2 380.467 3.896 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000543393455 859547109 /nfs/dbraw/zinc/54/71/09/859547109.db2.gz FQUCYVAGCNKFKO-JOCHJYFZSA-N 2 2 380.467 3.896 20 0 GHADLP COC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000483971989 859733728 /nfs/dbraw/zinc/73/37/28/859733728.db2.gz DXNASIYBVZLNFI-UHFFFAOYSA-N 2 2 389.499 3.888 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3ncc4ccc(OCc5ccccc5)cc43)CC[C@H]21 ZINC000765108269 859793982 /nfs/dbraw/zinc/79/39/82/859793982.db2.gz VRRMLRMOBPDMJJ-JTHBVZDNSA-N 2 2 390.531 3.989 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3ncc4ccc(OCc5ccccc5)cc43)CC[C@H]21 ZINC000765108269 859793986 /nfs/dbraw/zinc/79/39/86/859793986.db2.gz VRRMLRMOBPDMJJ-JTHBVZDNSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3ncc4ccc(OCc5ccccc5)cc43)CC[C@H]21 ZINC000765108269 859793992 /nfs/dbraw/zinc/79/39/92/859793992.db2.gz VRRMLRMOBPDMJJ-JTHBVZDNSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3ncc4ccc(OCc5ccccc5)cc43)CC[C@H]21 ZINC000765108269 859793995 /nfs/dbraw/zinc/79/39/95/859793995.db2.gz VRRMLRMOBPDMJJ-JTHBVZDNSA-N 2 2 390.531 3.989 20 0 GHADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CCCO2 ZINC000484128280 859818917 /nfs/dbraw/zinc/81/89/17/859818917.db2.gz JOHUGQMUSUCWAU-LADGPHEKSA-N 2 2 380.532 3.744 20 0 GHADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CCCO2 ZINC000484128280 859818924 /nfs/dbraw/zinc/81/89/24/859818924.db2.gz JOHUGQMUSUCWAU-LADGPHEKSA-N 2 2 380.532 3.744 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000484151431 859838006 /nfs/dbraw/zinc/83/80/06/859838006.db2.gz GSRYGKVDKWRDHE-PMVMPFDFSA-N 2 2 392.543 3.906 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000484151431 859838012 /nfs/dbraw/zinc/83/80/12/859838012.db2.gz GSRYGKVDKWRDHE-PMVMPFDFSA-N 2 2 392.543 3.906 20 0 GHADLP CCO/C=C\[C@](O)(C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C(F)(F)F ZINC000895716145 859860541 /nfs/dbraw/zinc/86/05/41/859860541.db2.gz GVIWYJNEHDLYSX-CYQRCOPMSA-N 2 2 398.469 3.788 20 0 GHADLP CCO/C=C\[C@](O)(C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(F)(F)F ZINC000895716145 859860545 /nfs/dbraw/zinc/86/05/45/859860545.db2.gz GVIWYJNEHDLYSX-CYQRCOPMSA-N 2 2 398.469 3.788 20 0 GHADLP COc1ccc(CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c(OC)c1 ZINC000765471065 859983768 /nfs/dbraw/zinc/98/37/68/859983768.db2.gz VGFHGWIGYVQEHS-UHFFFAOYSA-N 2 2 383.536 3.571 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000508919679 860020133 /nfs/dbraw/zinc/02/01/33/860020133.db2.gz KEHGGXSUCSDMJB-KNQAVFIVSA-N 2 2 399.583 3.867 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCN1c1ccc(Cl)cc1Cl ZINC000474428201 860087649 /nfs/dbraw/zinc/08/76/49/860087649.db2.gz QKDWPEBHYXBGBZ-HLLBOEOZSA-N 2 2 382.335 3.705 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCN1c1ccc(Cl)cc1Cl ZINC000474428201 860087663 /nfs/dbraw/zinc/08/76/63/860087663.db2.gz QKDWPEBHYXBGBZ-HLLBOEOZSA-N 2 2 382.335 3.705 20 0 GHADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000417910167 860220917 /nfs/dbraw/zinc/22/09/17/860220917.db2.gz JIEZIKFHBJFIKO-ZDUSSCGKSA-N 2 2 390.284 3.640 20 0 GHADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000417910167 860220925 /nfs/dbraw/zinc/22/09/25/860220925.db2.gz JIEZIKFHBJFIKO-ZDUSSCGKSA-N 2 2 390.284 3.640 20 0 GHADLP Cc1ccc([C@H](CN[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[NH+]2CCCC2)o1 ZINC000765606164 860316126 /nfs/dbraw/zinc/31/61/26/860316126.db2.gz BOIDUYONTMJVER-JCTONOIOSA-N 2 2 397.563 3.604 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000765681175 860392469 /nfs/dbraw/zinc/39/24/69/860392469.db2.gz HEGLSUAXTRMAID-JRGCBEDISA-N 2 2 392.465 3.937 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000765681175 860392481 /nfs/dbraw/zinc/39/24/81/860392481.db2.gz HEGLSUAXTRMAID-JRGCBEDISA-N 2 2 392.465 3.937 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@](C)(O)c3cccc(Cl)c3)CC2)cc1 ZINC000765684715 860399204 /nfs/dbraw/zinc/39/92/04/860399204.db2.gz SODKESQLCVAGMT-QFIPXVFZSA-N 2 2 387.955 3.872 20 0 GHADLP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001168731934 860452611 /nfs/dbraw/zinc/45/26/11/860452611.db2.gz UZOFLISCKLBAIB-OAQYLSRUSA-N 2 2 392.890 3.687 20 0 GHADLP CCC(CC)n1ccc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)n1 ZINC000856587203 881560193 /nfs/dbraw/zinc/56/01/93/881560193.db2.gz XEDJXBPSNXJDMX-QFIPXVFZSA-N 2 2 385.556 3.744 20 0 GHADLP CCC(CC)n1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)n1 ZINC000856587203 881560205 /nfs/dbraw/zinc/56/02/05/881560205.db2.gz XEDJXBPSNXJDMX-QFIPXVFZSA-N 2 2 385.556 3.744 20 0 GHADLP CCC(CC)n1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)n1 ZINC000856587203 881560218 /nfs/dbraw/zinc/56/02/18/881560218.db2.gz XEDJXBPSNXJDMX-QFIPXVFZSA-N 2 2 385.556 3.744 20 0 GHADLP CCC(CC)n1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)n1 ZINC000856587203 881560226 /nfs/dbraw/zinc/56/02/26/881560226.db2.gz XEDJXBPSNXJDMX-QFIPXVFZSA-N 2 2 385.556 3.744 20 0 GHADLP c1ccc([C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]2CCOC2)cc1 ZINC000509030722 860620668 /nfs/dbraw/zinc/62/06/68/860620668.db2.gz JSXQEDMIWCAMIX-LADGPHEKSA-N 2 2 379.548 3.566 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnc(Cl)s3)C2)ccn1 ZINC000856598779 881573426 /nfs/dbraw/zinc/57/34/26/881573426.db2.gz BZQRIYKZLOQLSE-MRXNPFEDSA-N 2 2 380.945 3.685 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnc(Cl)s3)C2)ccn1 ZINC000856598779 881573430 /nfs/dbraw/zinc/57/34/30/881573430.db2.gz BZQRIYKZLOQLSE-MRXNPFEDSA-N 2 2 380.945 3.685 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnc(Cl)s3)C2)ccn1 ZINC000856598779 881573442 /nfs/dbraw/zinc/57/34/42/881573442.db2.gz BZQRIYKZLOQLSE-MRXNPFEDSA-N 2 2 380.945 3.685 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnc(Cl)s3)C2)ccn1 ZINC000856598779 881573444 /nfs/dbraw/zinc/57/34/44/881573444.db2.gz BZQRIYKZLOQLSE-MRXNPFEDSA-N 2 2 380.945 3.685 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001170411823 881579358 /nfs/dbraw/zinc/57/93/58/881579358.db2.gz MBNACUWVJJMRSC-HXUWFJFHSA-N 2 2 396.531 3.999 20 0 GHADLP O=C1COc2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)cc2N1 ZINC000509071351 860796882 /nfs/dbraw/zinc/79/68/82/860796882.db2.gz PRYQSZHEIHAOMC-RBBKRZOGSA-N 2 2 391.515 3.504 20 0 GHADLP O=C1COc2ccc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)cc2N1 ZINC000509071351 860796890 /nfs/dbraw/zinc/79/68/90/860796890.db2.gz PRYQSZHEIHAOMC-RBBKRZOGSA-N 2 2 391.515 3.504 20 0 GHADLP O=C1COc2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2N1 ZINC000509071351 860796893 /nfs/dbraw/zinc/79/68/93/860796893.db2.gz PRYQSZHEIHAOMC-RBBKRZOGSA-N 2 2 391.515 3.504 20 0 GHADLP O=C1COc2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)cc2N1 ZINC000509071351 860796900 /nfs/dbraw/zinc/79/69/00/860796900.db2.gz PRYQSZHEIHAOMC-RBBKRZOGSA-N 2 2 391.515 3.504 20 0 GHADLP COc1cc(F)c([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000481327783 861072538 /nfs/dbraw/zinc/07/25/38/861072538.db2.gz MPNPQSASZHXJLV-MRXNPFEDSA-N 2 2 388.483 3.526 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1(C)C ZINC000623509065 861127027 /nfs/dbraw/zinc/12/70/27/861127027.db2.gz RJKSMVVKSAMDHN-INIZCTEOSA-N 2 2 377.330 3.597 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1(C)C ZINC000623509065 861127037 /nfs/dbraw/zinc/12/70/37/861127037.db2.gz RJKSMVVKSAMDHN-INIZCTEOSA-N 2 2 377.330 3.597 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120656088 881657363 /nfs/dbraw/zinc/65/73/63/881657363.db2.gz HDPHCYBALGFFKY-XXBNENTESA-N 2 2 376.504 3.596 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 ZINC000183148371 863486963 /nfs/dbraw/zinc/48/69/63/863486963.db2.gz YPWAYROBBRZTNE-IVZQSRNASA-N 2 2 392.478 3.990 20 0 GHADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000158525855 863861116 /nfs/dbraw/zinc/86/11/16/863861116.db2.gz SOZBKMRSGIEQOV-KRWDZBQOSA-N 2 2 393.560 3.808 20 0 GHADLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1nc(-c2ccccc2)cs1 ZINC000159200983 864063561 /nfs/dbraw/zinc/06/35/61/864063561.db2.gz RLRNKMZVKGGKBC-QGZVFWFLSA-N 2 2 393.560 3.808 20 0 GHADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000554362587 864198774 /nfs/dbraw/zinc/19/87/74/864198774.db2.gz WFXLCOYIUJYKKO-SFHVURJKSA-N 2 2 385.581 3.670 20 0 GHADLP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000607278843 864233346 /nfs/dbraw/zinc/23/33/46/864233346.db2.gz NZKVYPUOWDSRSZ-JOCHJYFZSA-N 2 2 378.520 3.671 20 0 GHADLP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000607278843 864233361 /nfs/dbraw/zinc/23/33/61/864233361.db2.gz NZKVYPUOWDSRSZ-JOCHJYFZSA-N 2 2 378.520 3.671 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000607279829 864235167 /nfs/dbraw/zinc/23/51/67/864235167.db2.gz OWPBCPGWVHVDSN-RVKKMQEKSA-N 2 2 381.923 3.605 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000607279829 864235182 /nfs/dbraw/zinc/23/51/82/864235182.db2.gz OWPBCPGWVHVDSN-RVKKMQEKSA-N 2 2 381.923 3.605 20 0 GHADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000475126530 864262746 /nfs/dbraw/zinc/26/27/46/864262746.db2.gz FIUJIVXZMVFFHV-UHFFFAOYSA-N 2 2 380.323 3.634 20 0 GHADLP C[NH+]1CCC2(CCC[N@H+]2Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000475126530 864262757 /nfs/dbraw/zinc/26/27/57/864262757.db2.gz FIUJIVXZMVFFHV-UHFFFAOYSA-N 2 2 380.323 3.634 20 0 GHADLP CCC[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000667642013 864299618 /nfs/dbraw/zinc/29/96/18/864299618.db2.gz LYMJDVRMCXMBMP-NRFANRHFSA-N 2 2 391.987 3.899 20 0 GHADLP CCC[C@@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000667642014 864299644 /nfs/dbraw/zinc/29/96/44/864299644.db2.gz LYMJDVRMCXMBMP-OAQYLSRUSA-N 2 2 391.987 3.899 20 0 GHADLP O[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000792872783 881763394 /nfs/dbraw/zinc/76/33/94/881763394.db2.gz PIPWHCBIUYZRIR-DSNGMDLFSA-N 2 2 394.559 3.866 20 0 GHADLP O[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000792872783 881763408 /nfs/dbraw/zinc/76/34/08/881763408.db2.gz PIPWHCBIUYZRIR-DSNGMDLFSA-N 2 2 394.559 3.866 20 0 GHADLP O[C@H](c1ccccc1)[C@@H]1CCCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000792872783 881763423 /nfs/dbraw/zinc/76/34/23/881763423.db2.gz PIPWHCBIUYZRIR-DSNGMDLFSA-N 2 2 394.559 3.866 20 0 GHADLP O[C@H](c1ccccc1)[C@@H]1CCCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000792872783 881763435 /nfs/dbraw/zinc/76/34/35/881763435.db2.gz PIPWHCBIUYZRIR-DSNGMDLFSA-N 2 2 394.559 3.866 20 0 GHADLP Cc1cccn2cc(COc3ccc(C[NH2+]CCCn4cc[nH+]c4)cc3)nc12 ZINC000063312793 864539952 /nfs/dbraw/zinc/53/99/52/864539952.db2.gz GAKRFIWDGKEFKZ-UHFFFAOYSA-N 2 2 375.476 3.598 20 0 GHADLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cnn(C2CCCC2)c1 ZINC000554561273 864550816 /nfs/dbraw/zinc/55/08/16/864550816.db2.gz XCGDEJODOPCJQY-AUSIDOKSSA-N 2 2 381.568 3.638 20 0 GHADLP CN(C(=O)C(C)(C)c1ccc2ccccc2c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607906664 864859509 /nfs/dbraw/zinc/85/95/09/864859509.db2.gz LTCJBDMMWVFYDY-HSZRJFAPSA-N 2 2 393.575 3.744 20 0 GHADLP CN(C(=O)C(C)(C)c1ccc2ccccc2c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607906664 864859526 /nfs/dbraw/zinc/85/95/26/864859526.db2.gz LTCJBDMMWVFYDY-HSZRJFAPSA-N 2 2 393.575 3.744 20 0 GHADLP Fc1cc(Br)ccc1C1CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000897228026 864876935 /nfs/dbraw/zinc/87/69/35/864876935.db2.gz JPQXXXLROBQNCX-PGEKIEPBSA-N 2 2 397.332 3.677 20 0 GHADLP Fc1cc(Br)ccc1C1CC([NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000897228026 864876951 /nfs/dbraw/zinc/87/69/51/864876951.db2.gz JPQXXXLROBQNCX-PGEKIEPBSA-N 2 2 397.332 3.677 20 0 GHADLP Fc1cc(Br)ccc1C1CC([NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000897228032 864877095 /nfs/dbraw/zinc/87/70/95/864877095.db2.gz JPQXXXLROBQNCX-PUJMQQBBSA-N 2 2 397.332 3.677 20 0 GHADLP Fc1cc(Br)ccc1C1CC([NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000897228032 864877112 /nfs/dbraw/zinc/87/71/12/864877112.db2.gz JPQXXXLROBQNCX-PUJMQQBBSA-N 2 2 397.332 3.677 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608205181 865096583 /nfs/dbraw/zinc/09/65/83/865096583.db2.gz AITFCXQFXRXZQY-JOCHJYFZSA-N 2 2 390.531 3.976 20 0 GHADLP Cc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)c1 ZINC000480758299 865237488 /nfs/dbraw/zinc/23/74/88/865237488.db2.gz NAWPNQDLPVPCDK-GBXCKJPGSA-N 2 2 390.531 3.905 20 0 GHADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608428973 865326728 /nfs/dbraw/zinc/32/67/28/865326728.db2.gz GQRKYABLUBSKCJ-SFTDATJTSA-N 2 2 397.567 3.658 20 0 GHADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608428973 865326744 /nfs/dbraw/zinc/32/67/44/865326744.db2.gz GQRKYABLUBSKCJ-SFTDATJTSA-N 2 2 397.567 3.658 20 0 GHADLP C[NH+](C)CC1CC[NH+](Cn2cc(Br)c(-c3ccc(F)cc3)n2)CC1 ZINC000738076880 865480070 /nfs/dbraw/zinc/48/00/70/865480070.db2.gz OQMKULUFLITAKP-UHFFFAOYSA-N 2 2 395.320 3.683 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000172081691 865482816 /nfs/dbraw/zinc/48/28/16/865482816.db2.gz DQKGZXVHOVIODH-XXBNENTESA-N 2 2 379.548 3.838 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000172081691 865482820 /nfs/dbraw/zinc/48/28/20/865482820.db2.gz DQKGZXVHOVIODH-XXBNENTESA-N 2 2 379.548 3.838 20 0 GHADLP C[N@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000899272758 865665033 /nfs/dbraw/zinc/66/50/33/865665033.db2.gz JFYRNQKXVIACNC-NHCUHLMSSA-N 2 2 390.487 3.663 20 0 GHADLP C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000899272758 865665048 /nfs/dbraw/zinc/66/50/48/865665048.db2.gz JFYRNQKXVIACNC-NHCUHLMSSA-N 2 2 390.487 3.663 20 0 GHADLP C[N@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000899272758 865665066 /nfs/dbraw/zinc/66/50/66/865665066.db2.gz JFYRNQKXVIACNC-NHCUHLMSSA-N 2 2 390.487 3.663 20 0 GHADLP C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000899272758 865665075 /nfs/dbraw/zinc/66/50/75/865665075.db2.gz JFYRNQKXVIACNC-NHCUHLMSSA-N 2 2 390.487 3.663 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCCO[C@@H](c4ccccc4)C3)C2)cc1 ZINC000671240613 865716392 /nfs/dbraw/zinc/71/63/92/865716392.db2.gz DILAOANTHLJCON-BJKOFHAPSA-N 2 2 380.532 3.741 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCCO[C@@H](c4ccccc4)C3)C2)cc1 ZINC000671240613 865716396 /nfs/dbraw/zinc/71/63/96/865716396.db2.gz DILAOANTHLJCON-BJKOFHAPSA-N 2 2 380.532 3.741 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCCO[C@@H](c4ccccc4)C3)C2)cc1 ZINC000671240613 865716402 /nfs/dbraw/zinc/71/64/02/865716402.db2.gz DILAOANTHLJCON-BJKOFHAPSA-N 2 2 380.532 3.741 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CCCO[C@@H](c4ccccc4)C3)C2)cc1 ZINC000671240613 865716406 /nfs/dbraw/zinc/71/64/06/865716406.db2.gz DILAOANTHLJCON-BJKOFHAPSA-N 2 2 380.532 3.741 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(Nc3cnc4cc(Cl)c(Cl)cc4n3)CC2)CC1 ZINC000302119602 865721363 /nfs/dbraw/zinc/72/13/63/865721363.db2.gz XLJBCJNASXRNKA-UHFFFAOYSA-N 2 2 394.350 3.907 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000481175112 865924890 /nfs/dbraw/zinc/92/48/90/865924890.db2.gz LUVWNKCUOGXMCX-ZRCGQRJVSA-N 2 2 391.559 3.855 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000481175112 865924903 /nfs/dbraw/zinc/92/49/03/865924903.db2.gz LUVWNKCUOGXMCX-ZRCGQRJVSA-N 2 2 391.559 3.855 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC(Nc2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000302881443 865970617 /nfs/dbraw/zinc/97/06/17/865970617.db2.gz HYQVLOSCDGVMMO-QGZVFWFLSA-N 2 2 383.565 3.667 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC(Nc2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000302881443 865970624 /nfs/dbraw/zinc/97/06/24/865970624.db2.gz HYQVLOSCDGVMMO-QGZVFWFLSA-N 2 2 383.565 3.667 20 0 GHADLP CC(C)[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C(C)(C)C)cc1 ZINC000671296461 866012880 /nfs/dbraw/zinc/01/28/80/866012880.db2.gz CXZMSHOYZNMNJB-XZOQPEGZSA-N 2 2 387.612 3.677 20 0 GHADLP CC1CC[NH+]([C@@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)c2ccccc2)CC1 ZINC000103309335 866039465 /nfs/dbraw/zinc/03/94/65/866039465.db2.gz LVQYVYYSSGILPB-QFIPXVFZSA-N 2 2 395.551 3.703 20 0 GHADLP CCCCS[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361048 866646090 /nfs/dbraw/zinc/64/60/90/866646090.db2.gz CMJIRZMYLHZJHO-MISYRCLQSA-N 2 2 383.646 3.704 20 0 GHADLP CCCCS[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361048 866646094 /nfs/dbraw/zinc/64/60/94/866646094.db2.gz CMJIRZMYLHZJHO-MISYRCLQSA-N 2 2 383.646 3.704 20 0 GHADLP CN(C(=O)NCCCC(C)(C)C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534384505 866698503 /nfs/dbraw/zinc/69/85/03/866698503.db2.gz QCNZBKIFNOOBTO-UXHICEINSA-N 2 2 380.621 3.791 20 0 GHADLP CN(C(=O)NCCCC(C)(C)C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534384505 866698514 /nfs/dbraw/zinc/69/85/14/866698514.db2.gz QCNZBKIFNOOBTO-UXHICEINSA-N 2 2 380.621 3.791 20 0 GHADLP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)C2)CC1 ZINC000553072885 866745944 /nfs/dbraw/zinc/74/59/44/866745944.db2.gz VIFDJFJYJWLBDK-UNMCSNQZSA-N 2 2 394.563 3.902 20 0 GHADLP CC[C@@H](C)[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444609297 866946028 /nfs/dbraw/zinc/94/60/28/866946028.db2.gz MMQRXQUPTGHYEM-DNQXCXABSA-N 3 2 392.676 3.771 20 0 GHADLP CC[C@@H](C)[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444609297 866946035 /nfs/dbraw/zinc/94/60/35/866946035.db2.gz MMQRXQUPTGHYEM-DNQXCXABSA-N 3 2 392.676 3.771 20 0 GHADLP CC[C@@H](C)[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CCN1CCC[NH+]1CCCCC1 ZINC000444609297 866946047 /nfs/dbraw/zinc/94/60/47/866946047.db2.gz MMQRXQUPTGHYEM-DNQXCXABSA-N 3 2 392.676 3.771 20 0 GHADLP CC[C@@H](C)[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CCN1CCC[NH+]1CCCCC1 ZINC000444609297 866946050 /nfs/dbraw/zinc/94/60/50/866946050.db2.gz MMQRXQUPTGHYEM-DNQXCXABSA-N 3 2 392.676 3.771 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000741969779 866958411 /nfs/dbraw/zinc/95/84/11/866958411.db2.gz KFFYVQXEDATLNL-QGZVFWFLSA-N 2 2 378.476 3.840 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000741969779 866958419 /nfs/dbraw/zinc/95/84/19/866958419.db2.gz KFFYVQXEDATLNL-QGZVFWFLSA-N 2 2 378.476 3.840 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[C@@H](C[NH+]3CCCCCC3)C1)C2 ZINC000475612965 867164541 /nfs/dbraw/zinc/16/45/41/867164541.db2.gz SAVAPENJFPXKIQ-OALUTQOASA-N 2 2 386.584 3.753 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[C@@H](C[NH+]3CCCCCC3)C1)CC2 ZINC000475612965 867164548 /nfs/dbraw/zinc/16/45/48/867164548.db2.gz SAVAPENJFPXKIQ-OALUTQOASA-N 2 2 386.584 3.753 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cncc(Br)c3)CC2)cc1 ZINC000183721375 867497657 /nfs/dbraw/zinc/49/76/57/867497657.db2.gz NDCQGJNJYKWFTR-UHFFFAOYSA-N 2 2 389.341 3.669 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(Br)c1 ZINC000920425524 882103382 /nfs/dbraw/zinc/10/33/82/882103382.db2.gz LREOBHICCQSWQZ-SFHVURJKSA-N 2 2 390.256 3.597 20 0 GHADLP C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155015998 867709338 /nfs/dbraw/zinc/70/93/38/867709338.db2.gz WRDKXTWVHUTXGX-MBSDFSHPSA-N 2 2 394.494 3.736 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(Cl)s1 ZINC000155157464 867776513 /nfs/dbraw/zinc/77/65/13/867776513.db2.gz MGBRTYLMAMDPGN-HNNXBMFYSA-N 2 2 380.941 3.963 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(Cl)sc1Cl ZINC000155314084 867864827 /nfs/dbraw/zinc/86/48/27/867864827.db2.gz MPODBYQRZVZYSO-DGCLKSJQSA-N 2 2 378.369 3.648 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(Cl)sc1Cl ZINC000155314084 867864836 /nfs/dbraw/zinc/86/48/36/867864836.db2.gz MPODBYQRZVZYSO-DGCLKSJQSA-N 2 2 378.369 3.648 20 0 GHADLP Cc1cc2[nH]c(C[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)cc2c(C)c1 ZINC000479548705 868003201 /nfs/dbraw/zinc/00/32/01/868003201.db2.gz VCDBWRDZINDSLD-UHFFFAOYSA-N 2 2 393.531 3.786 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000155685349 868031746 /nfs/dbraw/zinc/03/17/46/868031746.db2.gz ICSZVSUUIMLNMR-GOSISDBHSA-N 2 2 389.503 3.531 20 0 GHADLP C[C@@H]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000535115355 868195497 /nfs/dbraw/zinc/19/54/97/868195497.db2.gz IMEPJUMHIHNNOU-NPDDRXJXSA-N 2 2 392.632 3.791 20 0 GHADLP C[C@@H]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000535115355 868195508 /nfs/dbraw/zinc/19/55/08/868195508.db2.gz IMEPJUMHIHNNOU-NPDDRXJXSA-N 2 2 392.632 3.791 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245730860 868246763 /nfs/dbraw/zinc/24/67/63/868246763.db2.gz VYLFKLIBGNNNCI-YEWWUXTCSA-N 2 2 390.915 3.764 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245730860 868246780 /nfs/dbraw/zinc/24/67/80/868246780.db2.gz VYLFKLIBGNNNCI-YEWWUXTCSA-N 2 2 390.915 3.764 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CCCC1)c1ccccc1 ZINC000535178761 868328672 /nfs/dbraw/zinc/32/86/72/868328672.db2.gz MCXNLSQEVTZGBJ-ICSRJNTNSA-N 2 2 395.551 3.583 20 0 GHADLP CC[N@H+](C)[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1)c1ccccc1 ZINC000508532630 868559328 /nfs/dbraw/zinc/55/93/28/868559328.db2.gz FKDZBNLCGDSHMO-WMZHIEFXSA-N 2 2 395.547 3.593 20 0 GHADLP CC[N@@H+](C)[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1)c1ccccc1 ZINC000508532630 868559336 /nfs/dbraw/zinc/55/93/36/868559336.db2.gz FKDZBNLCGDSHMO-WMZHIEFXSA-N 2 2 395.547 3.593 20 0 GHADLP COc1cc(OC)c(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000157124989 868566017 /nfs/dbraw/zinc/56/60/17/868566017.db2.gz REYNXIMDZNIXNY-INIZCTEOSA-N 2 2 381.476 3.791 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001170432473 882206405 /nfs/dbraw/zinc/20/64/05/882206405.db2.gz SMYBZONENBUNQU-DPLHUUCSSA-N 2 2 396.531 3.616 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001170432473 882206417 /nfs/dbraw/zinc/20/64/17/882206417.db2.gz SMYBZONENBUNQU-DPLHUUCSSA-N 2 2 396.531 3.616 20 0 GHADLP CCN(C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000157448409 868657064 /nfs/dbraw/zinc/65/70/64/868657064.db2.gz IUEXOTPDRVQQSB-NQIIRXRSSA-N 2 2 375.532 3.686 20 0 GHADLP CCN(C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000157448409 868657067 /nfs/dbraw/zinc/65/70/67/868657067.db2.gz IUEXOTPDRVQQSB-NQIIRXRSSA-N 2 2 375.532 3.686 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000157608604 868703412 /nfs/dbraw/zinc/70/34/12/868703412.db2.gz LJKGTYUILALNAP-LJQANCHMSA-N 2 2 380.536 3.989 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000157608604 868703419 /nfs/dbraw/zinc/70/34/19/868703419.db2.gz LJKGTYUILALNAP-LJQANCHMSA-N 2 2 380.536 3.989 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000157608736 868703459 /nfs/dbraw/zinc/70/34/59/868703459.db2.gz LJKGTYUILALNAP-IBGZPJMESA-N 2 2 380.536 3.989 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000157608736 868703464 /nfs/dbraw/zinc/70/34/64/868703464.db2.gz LJKGTYUILALNAP-IBGZPJMESA-N 2 2 380.536 3.989 20 0 GHADLP Cc1cc(Br)cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c1OC(F)F ZINC000479925792 868724622 /nfs/dbraw/zinc/72/46/22/868724622.db2.gz OUTPJQCLXJDLAM-LLVKDONJSA-N 2 2 388.256 3.981 20 0 GHADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001168149049 882256955 /nfs/dbraw/zinc/25/69/55/882256955.db2.gz IRIHJQAWUIZTRQ-GOSISDBHSA-N 2 2 388.939 3.772 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3nccn3-c3ccccc3)cc2)C[C@@H](C)O1 ZINC000190730539 882255818 /nfs/dbraw/zinc/25/58/18/882255818.db2.gz BLKXAUNUAZDVAK-WOJBJXKFSA-N 2 2 390.531 3.771 20 0 GHADLP C[C@@H]1[C@H](C(F)(F)F)CC[NH+]1CC1(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)COC1 ZINC000470943404 869428057 /nfs/dbraw/zinc/42/80/57/869428057.db2.gz FSLWWZADZXABJX-XJFOESAGSA-N 2 2 388.396 3.548 20 0 GHADLP C[C@@H]1[C@H](C(F)(F)F)CC[NH+]1CC1(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)COC1 ZINC000470943404 869428062 /nfs/dbraw/zinc/42/80/62/869428062.db2.gz FSLWWZADZXABJX-XJFOESAGSA-N 2 2 388.396 3.548 20 0 GHADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC1(C[NH+]2CC[C@@H](C(F)(F)F)[C@@H]2C)COC1 ZINC000470943404 869428065 /nfs/dbraw/zinc/42/80/65/869428065.db2.gz FSLWWZADZXABJX-XJFOESAGSA-N 2 2 388.396 3.548 20 0 GHADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC1(C[NH+]2CC[C@@H](C(F)(F)F)[C@@H]2C)COC1 ZINC000470943404 869428068 /nfs/dbraw/zinc/42/80/68/869428068.db2.gz FSLWWZADZXABJX-XJFOESAGSA-N 2 2 388.396 3.548 20 0 GHADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000524713612 869481591 /nfs/dbraw/zinc/48/15/91/869481591.db2.gz BVXIWNKBNXVHCG-SFHVURJKSA-N 2 2 381.520 3.667 20 0 GHADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000524748476 869522438 /nfs/dbraw/zinc/52/24/38/869522438.db2.gz OBIZFJQPLLTCFL-OAQYLSRUSA-N 2 2 390.531 3.556 20 0 GHADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000524748476 869522443 /nfs/dbraw/zinc/52/24/43/869522443.db2.gz OBIZFJQPLLTCFL-OAQYLSRUSA-N 2 2 390.531 3.556 20 0 GHADLP Cc1cccn2cc(CC(=O)Nc3ccc(OCC[N@H+]4CC[C@H](C)C4)cc3)[nH+]c12 ZINC000524770018 869550019 /nfs/dbraw/zinc/55/00/19/869550019.db2.gz LOFNDNJGMQHNTG-KRWDZBQOSA-N 2 2 392.503 3.545 20 0 GHADLP Cc1cccn2cc(CC(=O)Nc3ccc(OCC[N@@H+]4CC[C@H](C)C4)cc3)[nH+]c12 ZINC000524770018 869550026 /nfs/dbraw/zinc/55/00/26/869550026.db2.gz LOFNDNJGMQHNTG-KRWDZBQOSA-N 2 2 392.503 3.545 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000462519472 869599957 /nfs/dbraw/zinc/59/99/57/869599957.db2.gz BUTLUCWBCGDFJI-MAUKXSAKSA-N 2 2 392.594 3.501 20 0 GHADLP COc1ccc(C[C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1OC ZINC000539690195 869611924 /nfs/dbraw/zinc/61/19/24/869611924.db2.gz UQWARTUIJUWZKX-QGZVFWFLSA-N 2 2 398.551 3.672 20 0 GHADLP COc1ccc2oc(C[N@H+](C)C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)cc2c1 ZINC000428440934 869788351 /nfs/dbraw/zinc/78/83/51/869788351.db2.gz UKFWIJIOSBFJGU-QHCPKHFHSA-N 2 2 380.488 3.510 20 0 GHADLP COc1ccc2oc(C[N@@H+](C)C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)cc2c1 ZINC000428440934 869788359 /nfs/dbraw/zinc/78/83/59/869788359.db2.gz UKFWIJIOSBFJGU-QHCPKHFHSA-N 2 2 380.488 3.510 20 0 GHADLP COc1ccc2oc(C[NH+](C)C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2c1 ZINC000428440934 869788369 /nfs/dbraw/zinc/78/83/69/869788369.db2.gz UKFWIJIOSBFJGU-QHCPKHFHSA-N 2 2 380.488 3.510 20 0 GHADLP COc1ccc2oc(C[NH+](C)C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2c1 ZINC000428440934 869788375 /nfs/dbraw/zinc/78/83/75/869788375.db2.gz UKFWIJIOSBFJGU-QHCPKHFHSA-N 2 2 380.488 3.510 20 0 GHADLP C[NH+]1CCN([C@@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)c2cccs2)CC1 ZINC000539950856 870064026 /nfs/dbraw/zinc/06/40/26/870064026.db2.gz MKRPKPCKFFTGGR-SFHVURJKSA-N 2 2 398.601 3.950 20 0 GHADLP CCc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)[NH+](C)C)cc1 ZINC000248034730 870266838 /nfs/dbraw/zinc/26/68/38/870266838.db2.gz RHTMJXNZIIYKHS-YGOYIFOWSA-N 2 2 380.580 3.747 20 0 GHADLP CCc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)[NH+](C)C)cc1 ZINC000248034730 870266854 /nfs/dbraw/zinc/26/68/54/870266854.db2.gz RHTMJXNZIIYKHS-YGOYIFOWSA-N 2 2 380.580 3.747 20 0 GHADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000446742658 870280842 /nfs/dbraw/zinc/28/08/42/870280842.db2.gz HFSXSULZMLJNQC-HSZRJFAPSA-N 2 2 386.503 3.753 20 0 GHADLP CN(C(=O)C1(Cc2ccccc2)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248383546 870350147 /nfs/dbraw/zinc/35/01/47/870350147.db2.gz ALEXXWGLVSPJES-XZOQPEGZSA-N 2 2 397.607 3.805 20 0 GHADLP CN(C(=O)C1(Cc2ccccc2)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248383546 870350162 /nfs/dbraw/zinc/35/01/62/870350162.db2.gz ALEXXWGLVSPJES-XZOQPEGZSA-N 2 2 397.607 3.805 20 0 GHADLP CC(=O)c1cccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000248395596 870365685 /nfs/dbraw/zinc/36/56/85/870365685.db2.gz JMBJYZDZRFJZDW-PFWHTEFJSA-N 2 2 393.531 3.574 20 0 GHADLP CC(=O)c1cccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000248395596 870365705 /nfs/dbraw/zinc/36/57/05/870365705.db2.gz JMBJYZDZRFJZDW-PFWHTEFJSA-N 2 2 393.531 3.574 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000192091027 870403318 /nfs/dbraw/zinc/40/33/18/870403318.db2.gz PPIBLANIMDREKE-UHFFFAOYSA-N 2 2 380.536 3.842 20 0 GHADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cc2OCCCO)CC1 ZINC000462937640 870497867 /nfs/dbraw/zinc/49/78/67/870497867.db2.gz FQLUJZUDONUCEA-OAHLLOKOSA-N 2 2 399.373 3.735 20 0 GHADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000418335255 882414975 /nfs/dbraw/zinc/41/49/75/882414975.db2.gz VFMDOOASMCLMMT-JOCHJYFZSA-N 2 2 397.567 3.908 20 0 GHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000248769878 870629029 /nfs/dbraw/zinc/62/90/29/870629029.db2.gz AFQBRUJPOMYCNB-MOPGFXCFSA-N 2 2 381.358 3.991 20 0 GHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000248769878 870629032 /nfs/dbraw/zinc/62/90/32/870629032.db2.gz AFQBRUJPOMYCNB-MOPGFXCFSA-N 2 2 381.358 3.991 20 0 GHADLP O=C(c1ccc(Cl)cc1)N1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000158419721 870700753 /nfs/dbraw/zinc/70/07/53/870700753.db2.gz RZVNJSIVEKNUJE-UHFFFAOYSA-N 2 2 394.906 3.920 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1C ZINC000508867589 870768883 /nfs/dbraw/zinc/76/88/83/870768883.db2.gz UENBOBNUBRPAAZ-PXNSSMCTSA-N 2 2 384.524 3.540 20 0 GHADLP Cc1ccc(C)c([C@@H](C)N(C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000508579949 870799219 /nfs/dbraw/zinc/79/92/19/870799219.db2.gz DBQCCYNJSXJKEY-LJQANCHMSA-N 2 2 386.584 3.564 20 0 GHADLP C[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000463070476 870825852 /nfs/dbraw/zinc/82/58/52/870825852.db2.gz SRUJQLBPFZQOIX-OAQYLSRUSA-N 2 2 377.576 3.730 20 0 GHADLP C[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000463070476 870825860 /nfs/dbraw/zinc/82/58/60/870825860.db2.gz SRUJQLBPFZQOIX-OAQYLSRUSA-N 2 2 377.576 3.730 20 0 GHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3c(F)cccc3Cl)CC2)C[C@H](C)O1 ZINC000540244772 870845241 /nfs/dbraw/zinc/84/52/41/870845241.db2.gz GWOIBFURLCGKQJ-IYBDPMFKSA-N 2 2 384.923 3.569 20 0 GHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3c(F)cccc3Cl)CC2)C[C@H](C)O1 ZINC000540244772 870845255 /nfs/dbraw/zinc/84/52/55/870845255.db2.gz GWOIBFURLCGKQJ-IYBDPMFKSA-N 2 2 384.923 3.569 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3c4ccccc4CCc4ccccc43)CC[C@H]21 ZINC000249648425 870879780 /nfs/dbraw/zinc/87/97/80/870879780.db2.gz YDOWNIQNGILTCK-FGZHOGPDSA-N 2 2 389.543 3.866 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3c4ccccc4CCc4ccccc43)CC[C@H]21 ZINC000249648425 870879793 /nfs/dbraw/zinc/87/97/93/870879793.db2.gz YDOWNIQNGILTCK-FGZHOGPDSA-N 2 2 389.543 3.866 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3c4ccccc4CCc4ccccc43)CC[C@H]21 ZINC000249648425 870879809 /nfs/dbraw/zinc/87/98/09/870879809.db2.gz YDOWNIQNGILTCK-FGZHOGPDSA-N 2 2 389.543 3.866 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3c4ccccc4CCc4ccccc43)CC[C@H]21 ZINC000249648425 870879816 /nfs/dbraw/zinc/87/98/16/870879816.db2.gz YDOWNIQNGILTCK-FGZHOGPDSA-N 2 2 389.543 3.866 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC000463126123 870936832 /nfs/dbraw/zinc/93/68/32/870936832.db2.gz YHSNEVCHMBLGFQ-JSRBNTPPSA-N 3 2 387.612 3.766 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC000463126123 870936843 /nfs/dbraw/zinc/93/68/43/870936843.db2.gz YHSNEVCHMBLGFQ-JSRBNTPPSA-N 3 2 387.612 3.766 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC000463126123 870936851 /nfs/dbraw/zinc/93/68/51/870936851.db2.gz YHSNEVCHMBLGFQ-JSRBNTPPSA-N 3 2 387.612 3.766 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC000463126123 870936863 /nfs/dbraw/zinc/93/68/63/870936863.db2.gz YHSNEVCHMBLGFQ-JSRBNTPPSA-N 3 2 387.612 3.766 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCCN3Cc3ccccc3)CC2)cc1 ZINC000463134005 870979530 /nfs/dbraw/zinc/97/95/30/870979530.db2.gz GSPLXUOEUHWERP-RUZDIDTESA-N 2 2 377.576 3.948 20 0 GHADLP C[C@H]1CCc2c(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)csc2C1 ZINC000460477542 882464634 /nfs/dbraw/zinc/46/46/34/882464634.db2.gz CGVOMDSUMFLJHL-KRWDZBQOSA-N 2 2 389.609 3.553 20 0 GHADLP CC[NH+](CC)CCCC1CC[NH+](Cn2c(=S)nc3nc(C)cc(C)n32)CC1 ZINC000181456324 871039783 /nfs/dbraw/zinc/03/97/83/871039783.db2.gz UXHSIALBWOESSA-UHFFFAOYSA-N 2 2 390.601 3.669 20 0 GHADLP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1C ZINC000429710773 871067084 /nfs/dbraw/zinc/06/70/84/871067084.db2.gz ZSLDLFIKWIYDFF-FQEVSTJZSA-N 2 2 384.520 3.598 20 0 GHADLP CN(C(=O)C[N@H+](C)CCCn1cc[nH+]c1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000540347756 871083896 /nfs/dbraw/zinc/08/38/96/871083896.db2.gz IELCUCZKGKXFDF-QHCPKHFHSA-N 2 2 394.494 3.592 20 0 GHADLP CN(C(=O)C[N@@H+](C)CCCn1cc[nH+]c1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000540347756 871083915 /nfs/dbraw/zinc/08/39/15/871083915.db2.gz IELCUCZKGKXFDF-QHCPKHFHSA-N 2 2 394.494 3.592 20 0 GHADLP CCCN(CC[NH+](CC)CC)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000461880065 871143419 /nfs/dbraw/zinc/14/34/19/871143419.db2.gz FTNCJCJDEUIPAB-IBGZPJMESA-N 2 2 390.572 3.666 20 0 GHADLP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000539055537 871188463 /nfs/dbraw/zinc/18/84/63/871188463.db2.gz CYICLUBXVAPLEK-HXUWFJFHSA-N 2 2 378.438 3.993 20 0 GHADLP CN(C(=O)c1ccc2ccccc2n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000252726774 871361498 /nfs/dbraw/zinc/36/14/98/871361498.db2.gz FCAZTCVMKPAKBD-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccc2ccccc2n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000252726774 871361516 /nfs/dbraw/zinc/36/15/16/871361516.db2.gz FCAZTCVMKPAKBD-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)C2)CC1 ZINC000103311133 871675492 /nfs/dbraw/zinc/67/54/92/871675492.db2.gz AYACJOGWQGWXTK-OAQYLSRUSA-N 2 2 395.551 3.526 20 0 GHADLP CC1(C)[C@H]([NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)[C@H]2CCCO[C@@H]21 ZINC001194446170 871726554 /nfs/dbraw/zinc/72/65/54/871726554.db2.gz NQQUFPNQRNOXTK-NJYVYQBISA-N 2 2 391.987 3.645 20 0 GHADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-c3ccccc3OC)cc2)CC1 ZINC000539362193 871827627 /nfs/dbraw/zinc/82/76/27/871827627.db2.gz NQNWXQFBCBQNNT-RTBURBONSA-N 2 2 395.547 3.565 20 0 GHADLP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169774823 871836226 /nfs/dbraw/zinc/83/62/26/871836226.db2.gz JAEXHZBAGCVRHM-DEOSSOPVSA-N 2 2 391.559 3.888 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169774823 871836241 /nfs/dbraw/zinc/83/62/41/871836241.db2.gz JAEXHZBAGCVRHM-DEOSSOPVSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N3CCOCC3)c2)C[N@H+](Cc2ccccc2)C1 ZINC000552085182 871986348 /nfs/dbraw/zinc/98/63/48/871986348.db2.gz SUVQUXWPYCNVRE-OFNKIYASSA-N 2 2 379.548 3.523 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N3CCOCC3)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000552085182 871986359 /nfs/dbraw/zinc/98/63/59/871986359.db2.gz SUVQUXWPYCNVRE-OFNKIYASSA-N 2 2 379.548 3.523 20 0 GHADLP COc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(OCc2cccnc2)c1 ZINC000447728410 872170603 /nfs/dbraw/zinc/17/06/03/872170603.db2.gz LKOHEDQZNGVVPA-OAQYLSRUSA-N 2 2 383.536 3.975 20 0 GHADLP COc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(OCc2cccnc2)c1 ZINC000447728410 872170611 /nfs/dbraw/zinc/17/06/11/872170611.db2.gz LKOHEDQZNGVVPA-OAQYLSRUSA-N 2 2 383.536 3.975 20 0 GHADLP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(OCc2cccnc2)c1 ZINC000447728410 872170619 /nfs/dbraw/zinc/17/06/19/872170619.db2.gz LKOHEDQZNGVVPA-OAQYLSRUSA-N 2 2 383.536 3.975 20 0 GHADLP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(OCc2cccnc2)c1 ZINC000447728410 872170633 /nfs/dbraw/zinc/17/06/33/872170633.db2.gz LKOHEDQZNGVVPA-OAQYLSRUSA-N 2 2 383.536 3.975 20 0 GHADLP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)cccc21 ZINC000447723652 872211439 /nfs/dbraw/zinc/21/14/39/872211439.db2.gz QKWUSUAIKVPKNT-SFTDATJTSA-N 2 2 397.494 3.814 20 0 GHADLP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)cccc21 ZINC000447723652 872211457 /nfs/dbraw/zinc/21/14/57/872211457.db2.gz QKWUSUAIKVPKNT-SFTDATJTSA-N 2 2 397.494 3.814 20 0 GHADLP CCc1ccc([C@H]2CCCCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000093559057 872268402 /nfs/dbraw/zinc/26/84/02/872268402.db2.gz IGJKXCXSVRNPNP-HXUWFJFHSA-N 2 2 383.540 3.501 20 0 GHADLP CCc1ccc([C@H]2CCCCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000093559057 872268418 /nfs/dbraw/zinc/26/84/18/872268418.db2.gz IGJKXCXSVRNPNP-HXUWFJFHSA-N 2 2 383.540 3.501 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC000527013376 872471175 /nfs/dbraw/zinc/47/11/75/872471175.db2.gz OHAZLBWAEOYTJL-MISYRCLQSA-N 2 2 394.563 3.807 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC000527013376 872471183 /nfs/dbraw/zinc/47/11/83/872471183.db2.gz OHAZLBWAEOYTJL-MISYRCLQSA-N 2 2 394.563 3.807 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000527013376 872471192 /nfs/dbraw/zinc/47/11/92/872471192.db2.gz OHAZLBWAEOYTJL-MISYRCLQSA-N 2 2 394.563 3.807 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000527013376 872471202 /nfs/dbraw/zinc/47/12/02/872471202.db2.gz OHAZLBWAEOYTJL-MISYRCLQSA-N 2 2 394.563 3.807 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c3ccccc3)C1)C2 ZINC000527235921 872849871 /nfs/dbraw/zinc/84/98/71/872849871.db2.gz UCTAQPBEYDPWNI-QXAKKESOSA-N 2 2 380.536 3.590 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c3ccccc3)C1)C2 ZINC000527235921 872849879 /nfs/dbraw/zinc/84/98/79/872849879.db2.gz UCTAQPBEYDPWNI-QXAKKESOSA-N 2 2 380.536 3.590 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c3ccccc3)C1)CC2 ZINC000527235921 872849887 /nfs/dbraw/zinc/84/98/87/872849887.db2.gz UCTAQPBEYDPWNI-QXAKKESOSA-N 2 2 380.536 3.590 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c3ccccc3)C1)CC2 ZINC000527235921 872849894 /nfs/dbraw/zinc/84/98/94/872849894.db2.gz UCTAQPBEYDPWNI-QXAKKESOSA-N 2 2 380.536 3.590 20 0 GHADLP Cc1c([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)nnn1-c1ccc(Cl)cc1 ZINC000152787559 872864128 /nfs/dbraw/zinc/86/41/28/872864128.db2.gz GKKSDQLKXKFHFG-CQSZACIVSA-N 2 2 384.915 3.655 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccc([NH+](C)C)cc3)CC1)CCO2 ZINC000768288105 873212265 /nfs/dbraw/zinc/21/22/65/873212265.db2.gz XCEZHHSEQFFOHM-QFIPXVFZSA-N 2 2 381.520 3.843 20 0 GHADLP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC001196683182 873282990 /nfs/dbraw/zinc/28/29/90/873282990.db2.gz CMQOBHVURKYZOU-MRXNPFEDSA-N 2 2 375.340 3.539 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760159595 882751908 /nfs/dbraw/zinc/75/19/08/882751908.db2.gz MMEPZFBPNYWGSV-CXAGYDPISA-N 2 2 394.346 3.645 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760159595 882751913 /nfs/dbraw/zinc/75/19/13/882751913.db2.gz MMEPZFBPNYWGSV-CXAGYDPISA-N 2 2 394.346 3.645 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527888801 873718777 /nfs/dbraw/zinc/71/87/77/873718777.db2.gz VPNVNZXSZYPEGO-AVRDEDQJSA-N 2 2 390.531 3.505 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527888801 873718784 /nfs/dbraw/zinc/71/87/84/873718784.db2.gz VPNVNZXSZYPEGO-AVRDEDQJSA-N 2 2 390.531 3.505 20 0 GHADLP COc1ccc(CN2CC[C@H]2C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000527964412 873840997 /nfs/dbraw/zinc/84/09/97/873840997.db2.gz CDQVSYMZCDDNFJ-AVRDEDQJSA-N 2 2 376.504 3.806 20 0 GHADLP CCC1([NH+]2CCC2)CC[NH+](CCOc2ccccc2C(=O)OC(C)(C)C)CC1 ZINC001197891871 874092577 /nfs/dbraw/zinc/09/25/77/874092577.db2.gz QZKKPAUUMDOJKN-UHFFFAOYSA-N 2 2 388.552 3.971 20 0 GHADLP CCCCn1nc(C)c(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1Cl ZINC000769538848 874142564 /nfs/dbraw/zinc/14/25/64/874142564.db2.gz YFPWTIYVCFUPQL-UHFFFAOYSA-N 2 2 396.023 3.635 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177433703 882798254 /nfs/dbraw/zinc/79/82/54/882798254.db2.gz XTTKWLOYONMAEO-UHFFFAOYSA-N 2 2 399.514 3.608 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CC[C@H](c3ccccc3F)C2)cc1 ZINC001198019462 874169621 /nfs/dbraw/zinc/16/96/21/874169621.db2.gz VVNYNQIJNWRPDG-NRFANRHFSA-N 2 2 397.538 3.839 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CC[C@H](c3ccccc3F)C2)cc1 ZINC001198019462 874169627 /nfs/dbraw/zinc/16/96/27/874169627.db2.gz VVNYNQIJNWRPDG-NRFANRHFSA-N 2 2 397.538 3.839 20 0 GHADLP CN(C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1)[C@H](C1CCC1)C(F)(F)F ZINC001198022536 874184148 /nfs/dbraw/zinc/18/41/48/874184148.db2.gz VVMKGOUOPOAWQE-LJQANCHMSA-N 2 2 399.501 3.873 20 0 GHADLP CN(C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1)[C@H](C1CCC1)C(F)(F)F ZINC001198022536 874184150 /nfs/dbraw/zinc/18/41/50/874184150.db2.gz VVMKGOUOPOAWQE-LJQANCHMSA-N 2 2 399.501 3.873 20 0 GHADLP CN(CC/C=C/c1cccnc1)C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198021723 874184196 /nfs/dbraw/zinc/18/41/96/874184196.db2.gz MUHHWGUNLXTEEU-WEVVVXLNSA-N 2 2 394.563 3.641 20 0 GHADLP CN(CC/C=C/c1cccnc1)C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198021723 874184199 /nfs/dbraw/zinc/18/41/99/874184199.db2.gz MUHHWGUNLXTEEU-WEVVVXLNSA-N 2 2 394.563 3.641 20 0 GHADLP CC(C)[C@H](NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1)c1cccnc1 ZINC001198042259 874195230 /nfs/dbraw/zinc/19/52/30/874195230.db2.gz UMGGRMBEBRTAOG-QFIPXVFZSA-N 2 2 382.552 3.592 20 0 GHADLP CC(C)[C@H](NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1)c1cccnc1 ZINC001198042259 874195235 /nfs/dbraw/zinc/19/52/35/874195235.db2.gz UMGGRMBEBRTAOG-QFIPXVFZSA-N 2 2 382.552 3.592 20 0 GHADLP Clc1cccc(N2CCOCC2)c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000449027288 874362807 /nfs/dbraw/zinc/36/28/07/874362807.db2.gz IFQQVOIZUOPQNW-SFHVURJKSA-N 2 2 377.960 3.627 20 0 GHADLP Clc1cccc(N2CCOCC2)c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000449027288 874362822 /nfs/dbraw/zinc/36/28/22/874362822.db2.gz IFQQVOIZUOPQNW-SFHVURJKSA-N 2 2 377.960 3.627 20 0 GHADLP COc1ccccc1[C@H](C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)N(C)C ZINC000449061528 874398444 /nfs/dbraw/zinc/39/84/44/874398444.db2.gz GMHYNSQCFZXVGP-YKSBVNFPSA-N 2 2 395.591 3.983 20 0 GHADLP COc1ccccc1[C@H](CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1)[NH+](C)C ZINC000449061528 874398459 /nfs/dbraw/zinc/39/84/59/874398459.db2.gz GMHYNSQCFZXVGP-YKSBVNFPSA-N 2 2 395.591 3.983 20 0 GHADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC2 ZINC000449061702 874399498 /nfs/dbraw/zinc/39/94/98/874399498.db2.gz JKQRDJWRBXEASO-GOSISDBHSA-N 2 2 376.422 3.713 20 0 GHADLP C[N@@H+](Cc1ccc2c(c1)OCCCCO2)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000449265480 874681406 /nfs/dbraw/zinc/68/14/06/874681406.db2.gz RVDHYGNQBLIAGD-REWPJTCUSA-N 2 2 381.520 3.758 20 0 GHADLP C[N@H+](Cc1ccc2c(c1)OCCCCO2)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000449265480 874681412 /nfs/dbraw/zinc/68/14/12/874681412.db2.gz RVDHYGNQBLIAGD-REWPJTCUSA-N 2 2 381.520 3.758 20 0 GHADLP C[NH+](Cc1ccc2c(c1)OCCCCO2)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000449265480 874681417 /nfs/dbraw/zinc/68/14/17/874681417.db2.gz RVDHYGNQBLIAGD-REWPJTCUSA-N 2 2 381.520 3.758 20 0 GHADLP C[NH+](Cc1ccc2c(c1)OCCCCO2)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000449265480 874681420 /nfs/dbraw/zinc/68/14/20/874681420.db2.gz RVDHYGNQBLIAGD-REWPJTCUSA-N 2 2 381.520 3.758 20 0 GHADLP Cc1ccccc1-c1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000449319065 874725956 /nfs/dbraw/zinc/72/59/56/874725956.db2.gz FNWANONLIXKVEU-FRIKZZABSA-N 2 2 391.559 3.835 20 0 GHADLP Cc1ccccc1-c1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000449319065 874725964 /nfs/dbraw/zinc/72/59/64/874725964.db2.gz FNWANONLIXKVEU-FRIKZZABSA-N 2 2 391.559 3.835 20 0 GHADLP COc1cccc2c1CCC[C@@H]([NH2+]CCC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC001199220258 874857516 /nfs/dbraw/zinc/85/75/16/874857516.db2.gz WONGTZIRZMZSKD-JOCHJYFZSA-N 2 2 393.575 3.745 20 0 GHADLP COc1ccccc1C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449522744 874994768 /nfs/dbraw/zinc/99/47/68/874994768.db2.gz KEPZFBIRGZRTBI-GOSISDBHSA-N 2 2 395.547 3.839 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CS[C@H](C(C)C)C3)CC2)cc1 ZINC000449522337 874996413 /nfs/dbraw/zinc/99/64/13/874996413.db2.gz JDFHXSXKJUPXGV-RTWAWAEBSA-N 2 2 375.582 3.729 20 0 GHADLP COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000542213038 875161211 /nfs/dbraw/zinc/16/12/11/875161211.db2.gz VIXYPUZWDZKRKM-HNNXBMFYSA-N 2 2 378.314 3.993 20 0 GHADLP COc1cc(Br)ccc1CCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000542213038 875161220 /nfs/dbraw/zinc/16/12/20/875161220.db2.gz VIXYPUZWDZKRKM-HNNXBMFYSA-N 2 2 378.314 3.993 20 0 GHADLP Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001200961521 875413777 /nfs/dbraw/zinc/41/37/77/875413777.db2.gz XSSCVPKLWOLKCP-HXUWFJFHSA-N 2 2 385.895 3.747 20 0 GHADLP Cn1cc([C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)c2cccc(F)c2)cn1 ZINC000491377975 875660466 /nfs/dbraw/zinc/66/04/66/875660466.db2.gz AJHNBAKTPMZVLD-QFIPXVFZSA-N 2 2 375.451 3.683 20 0 GHADLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)cc1Cl ZINC000173928644 876728590 /nfs/dbraw/zinc/72/85/90/876728590.db2.gz WKGBLHZZRAVKJZ-CQSZACIVSA-N 2 2 379.335 3.991 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000174227700 876912647 /nfs/dbraw/zinc/91/26/47/876912647.db2.gz QFDIQFXSBLCMSM-IBGZPJMESA-N 2 2 377.548 3.617 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000174227700 876912662 /nfs/dbraw/zinc/91/26/62/876912662.db2.gz QFDIQFXSBLCMSM-IBGZPJMESA-N 2 2 377.548 3.617 20 0 GHADLP Cc1cc(Cl)ccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000174257546 876930172 /nfs/dbraw/zinc/93/01/72/876930172.db2.gz GNHDMCMRSDAZAI-UHFFFAOYSA-N 2 2 378.948 3.720 20 0 GHADLP CC[N@@H+](Cc1nc(-c2cccs2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392381 877003890 /nfs/dbraw/zinc/00/38/90/877003890.db2.gz AYLOSVAKUTVNIV-UHFFFAOYSA-N 2 2 383.521 3.932 20 0 GHADLP CC[N@H+](Cc1nc(-c2cccs2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392381 877003905 /nfs/dbraw/zinc/00/39/05/877003905.db2.gz AYLOSVAKUTVNIV-UHFFFAOYSA-N 2 2 383.521 3.932 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134901539 883098900 /nfs/dbraw/zinc/09/89/00/883098900.db2.gz NWAGABQCTMBUHD-MYEKKWIISA-N 2 2 383.580 3.763 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134901539 883098912 /nfs/dbraw/zinc/09/89/12/883098912.db2.gz NWAGABQCTMBUHD-MYEKKWIISA-N 2 2 383.580 3.763 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134901539 883098926 /nfs/dbraw/zinc/09/89/26/883098926.db2.gz NWAGABQCTMBUHD-MYEKKWIISA-N 2 2 383.580 3.763 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134901539 883098937 /nfs/dbraw/zinc/09/89/37/883098937.db2.gz NWAGABQCTMBUHD-MYEKKWIISA-N 2 2 383.580 3.763 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1C ZINC000195006219 883102153 /nfs/dbraw/zinc/10/21/53/883102153.db2.gz JIOPKTPVAOTZRR-LJQANCHMSA-N 2 2 399.510 3.717 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1C ZINC000195006219 883102165 /nfs/dbraw/zinc/10/21/65/883102165.db2.gz JIOPKTPVAOTZRR-LJQANCHMSA-N 2 2 399.510 3.717 20 0 GHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc([S@@](C)=O)cc1 ZINC000373524006 877317672 /nfs/dbraw/zinc/31/76/72/877317672.db2.gz XDNOXBUETULUNI-FFACTGLFSA-N 2 2 388.499 3.880 20 0 GHADLP Cc1ccc2nc(C[NH2+]Cc3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)cn2c1 ZINC000551573758 877461608 /nfs/dbraw/zinc/46/16/08/877461608.db2.gz BPNFANHXPTXLFV-OALUTQOASA-N 2 2 378.520 3.542 20 0 GHADLP COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000551694896 877658359 /nfs/dbraw/zinc/65/83/59/877658359.db2.gz FNZVJQSAPGKKPI-UKILVPOCSA-N 2 2 394.559 3.993 20 0 GHADLP COc1cccc(C[C@@H]2CCC[N@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000551694896 877658365 /nfs/dbraw/zinc/65/83/65/877658365.db2.gz FNZVJQSAPGKKPI-UKILVPOCSA-N 2 2 394.559 3.993 20 0 GHADLP COc1cccc(C[C@@H]2CCC[NH+]2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000551694896 877658368 /nfs/dbraw/zinc/65/83/68/877658368.db2.gz FNZVJQSAPGKKPI-UKILVPOCSA-N 2 2 394.559 3.993 20 0 GHADLP COc1cccc(C[C@@H]2CCC[NH+]2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000551694896 877658373 /nfs/dbraw/zinc/65/83/73/877658373.db2.gz FNZVJQSAPGKKPI-UKILVPOCSA-N 2 2 394.559 3.993 20 0 GHADLP COc1ccc([C@H]2CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699845 877667346 /nfs/dbraw/zinc/66/73/46/877667346.db2.gz MSVYRZACCYRPAP-LADGPHEKSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccc([C@H]2CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699845 877667354 /nfs/dbraw/zinc/66/73/54/877667354.db2.gz MSVYRZACCYRPAP-LADGPHEKSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccc([C@H]2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699845 877667359 /nfs/dbraw/zinc/66/73/59/877667359.db2.gz MSVYRZACCYRPAP-LADGPHEKSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccc([C@H]2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699845 877667363 /nfs/dbraw/zinc/66/73/63/877667363.db2.gz MSVYRZACCYRPAP-LADGPHEKSA-N 2 2 380.532 3.776 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)o3)cc2)C[C@H](C)O1 ZINC000237633535 877725618 /nfs/dbraw/zinc/72/56/18/877725618.db2.gz JGLKDTWDWGGXEV-GASCZTMLSA-N 2 2 393.325 3.941 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)o3)cc2)C[C@H](C)O1 ZINC000237633535 877725627 /nfs/dbraw/zinc/72/56/27/877725627.db2.gz JGLKDTWDWGGXEV-GASCZTMLSA-N 2 2 393.325 3.941 20 0 GHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000530566140 878072522 /nfs/dbraw/zinc/07/25/22/878072522.db2.gz XQWOUGDCYXLIHT-NHCUHLMSSA-N 2 2 381.520 3.587 20 0 GHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000530566140 878072542 /nfs/dbraw/zinc/07/25/42/878072542.db2.gz XQWOUGDCYXLIHT-NHCUHLMSSA-N 2 2 381.520 3.587 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cn1 ZINC000068216647 878108547 /nfs/dbraw/zinc/10/85/47/878108547.db2.gz ILEQLHRCZSALPT-GOSISDBHSA-N 2 2 393.466 3.566 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cn1 ZINC000068216647 878108566 /nfs/dbraw/zinc/10/85/66/878108566.db2.gz ILEQLHRCZSALPT-GOSISDBHSA-N 2 2 393.466 3.566 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2CNc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000537751905 878241039 /nfs/dbraw/zinc/24/10/39/878241039.db2.gz HFKDBVSZOFSLQC-UHFFFAOYSA-N 2 2 381.911 3.890 20 0 GHADLP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000176494546 878283978 /nfs/dbraw/zinc/28/39/78/878283978.db2.gz RMMXWDFIQABZKZ-GOSISDBHSA-N 2 2 383.536 3.603 20 0 GHADLP CN(C(=O)c1coc2ccccc12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245679715 878361755 /nfs/dbraw/zinc/36/17/55/878361755.db2.gz GZNNLNONJUUXLM-LEWJYISDSA-N 2 2 383.536 3.842 20 0 GHADLP CN(C(=O)c1coc2ccccc12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245679715 878361775 /nfs/dbraw/zinc/36/17/75/878361775.db2.gz GZNNLNONJUUXLM-LEWJYISDSA-N 2 2 383.536 3.842 20 0 GHADLP CC(C)C[C@H](C)OCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245695877 878407164 /nfs/dbraw/zinc/40/71/64/878407164.db2.gz KLHPKLGHWODQEK-KSEOMHKRSA-N 2 2 395.632 3.623 20 0 GHADLP CC(C)C[C@H](C)OCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245695877 878407177 /nfs/dbraw/zinc/40/71/77/878407177.db2.gz KLHPKLGHWODQEK-KSEOMHKRSA-N 2 2 395.632 3.623 20 0 GHADLP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000245702174 878426400 /nfs/dbraw/zinc/42/64/00/878426400.db2.gz RCSJYNBFSGBYIY-WOJBJXKFSA-N 2 2 388.462 3.593 20 0 GHADLP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000245702174 878426412 /nfs/dbraw/zinc/42/64/12/878426412.db2.gz RCSJYNBFSGBYIY-WOJBJXKFSA-N 2 2 388.462 3.593 20 0 GHADLP Cc1cc(C)c(N2CC[C@@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2=O)c(C)c1 ZINC000788972845 878485618 /nfs/dbraw/zinc/48/56/18/878485618.db2.gz IPCOJHQZGJLPGD-LJQANCHMSA-N 2 2 380.517 3.754 20 0 GHADLP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000245739226 878512374 /nfs/dbraw/zinc/51/23/74/878512374.db2.gz UQIVMTVWCPAZFB-WOJBJXKFSA-N 2 2 389.902 3.716 20 0 GHADLP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000245739226 878512389 /nfs/dbraw/zinc/51/23/89/878512389.db2.gz UQIVMTVWCPAZFB-WOJBJXKFSA-N 2 2 389.902 3.716 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000538147775 878948966 /nfs/dbraw/zinc/94/89/66/878948966.db2.gz MUZTXJUAIAPXPA-UHFFFAOYSA-N 2 2 389.503 3.538 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000538147775 878948973 /nfs/dbraw/zinc/94/89/73/878948973.db2.gz MUZTXJUAIAPXPA-UHFFFAOYSA-N 2 2 389.503 3.538 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cs2)cc1OC ZINC000178109061 879005098 /nfs/dbraw/zinc/00/50/98/879005098.db2.gz PVMCOHWSKCOANP-WMZOPIPTSA-N 2 2 387.549 3.743 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cs2)cc1OC ZINC000178109061 879005116 /nfs/dbraw/zinc/00/51/16/879005116.db2.gz PVMCOHWSKCOANP-WMZOPIPTSA-N 2 2 387.549 3.743 20 0 GHADLP COc1ccc(-c2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cs2)cc1OC ZINC000178109061 879005132 /nfs/dbraw/zinc/00/51/32/879005132.db2.gz PVMCOHWSKCOANP-WMZOPIPTSA-N 2 2 387.549 3.743 20 0 GHADLP COc1ccc(-c2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cs2)cc1OC ZINC000178109061 879005148 /nfs/dbraw/zinc/00/51/48/879005148.db2.gz PVMCOHWSKCOANP-WMZOPIPTSA-N 2 2 387.549 3.743 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1nc2ccc(Cl)cc2n1C ZINC000246215750 879235700 /nfs/dbraw/zinc/23/57/00/879235700.db2.gz ZCNJWRCDHGGSNE-BOUXLOLZSA-N 2 2 390.959 3.645 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(N2CCCOC2=O)cc1 ZINC000854224163 879642013 /nfs/dbraw/zinc/64/20/13/879642013.db2.gz XWCZECYKFIGASV-ZPMCFJSWSA-N 2 2 379.504 3.830 20 0 GHADLP CC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc2c(c1)OCCO2 ZINC000538556885 879712126 /nfs/dbraw/zinc/71/21/26/879712126.db2.gz GYGKBGDPDSYXMN-OALUTQOASA-N 2 2 382.508 3.556 20 0 GHADLP COc1ccc2c(c1)C(=O)N(C[NH+]1CCC(CC[N@@H+]3CCCC[C@H]3C)CC1)C2 ZINC000790443224 879729520 /nfs/dbraw/zinc/72/95/20/879729520.db2.gz JMLSBCVLXUDIHU-GOSISDBHSA-N 2 2 385.552 3.585 20 0 GHADLP COc1ccc2c(c1)C(=O)N(C[NH+]1CCC(CC[N@H+]3CCCC[C@H]3C)CC1)C2 ZINC000790443224 879729529 /nfs/dbraw/zinc/72/95/29/879729529.db2.gz JMLSBCVLXUDIHU-GOSISDBHSA-N 2 2 385.552 3.585 20 0 GHADLP Cc1nn(C)c2ncc(C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc12 ZINC000246921653 879852044 /nfs/dbraw/zinc/85/20/44/879852044.db2.gz DBAVXFVBAWJHEA-UWJYYQICSA-N 2 2 377.536 3.762 20 0 GHADLP Cc1nn(C)c2ncc(C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cc12 ZINC000246921653 879852056 /nfs/dbraw/zinc/85/20/56/879852056.db2.gz DBAVXFVBAWJHEA-UWJYYQICSA-N 2 2 377.536 3.762 20 0 GHADLP Cc1nn(C)c2ncc(C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cc12 ZINC000246921653 879852065 /nfs/dbraw/zinc/85/20/65/879852065.db2.gz DBAVXFVBAWJHEA-UWJYYQICSA-N 2 2 377.536 3.762 20 0 GHADLP Cc1nn(C)c2ncc(C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cc12 ZINC000246921653 879852076 /nfs/dbraw/zinc/85/20/76/879852076.db2.gz DBAVXFVBAWJHEA-UWJYYQICSA-N 2 2 377.536 3.762 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246964968 879866279 /nfs/dbraw/zinc/86/62/79/879866279.db2.gz VDVIBUMJAYOAFD-LMNJBCLMSA-N 2 2 395.547 3.901 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246964968 879866280 /nfs/dbraw/zinc/86/62/80/879866280.db2.gz VDVIBUMJAYOAFD-LMNJBCLMSA-N 2 2 395.547 3.901 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246964968 879866290 /nfs/dbraw/zinc/86/62/90/879866290.db2.gz VDVIBUMJAYOAFD-LMNJBCLMSA-N 2 2 395.547 3.901 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246964968 879866304 /nfs/dbraw/zinc/86/63/04/879866304.db2.gz VDVIBUMJAYOAFD-LMNJBCLMSA-N 2 2 395.547 3.901 20 0 GHADLP CC[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000247065080 879906769 /nfs/dbraw/zinc/90/67/69/879906769.db2.gz ZYZSHTCAGNUSFO-YYWHXJBOSA-N 2 2 389.971 3.856 20 0 GHADLP CC[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000247065080 879906780 /nfs/dbraw/zinc/90/67/80/879906780.db2.gz ZYZSHTCAGNUSFO-YYWHXJBOSA-N 2 2 389.971 3.856 20 0 GHADLP CC[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000247065080 879906793 /nfs/dbraw/zinc/90/67/93/879906793.db2.gz ZYZSHTCAGNUSFO-YYWHXJBOSA-N 2 2 389.971 3.856 20 0 GHADLP CC[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000247065080 879906805 /nfs/dbraw/zinc/90/68/05/879906805.db2.gz ZYZSHTCAGNUSFO-YYWHXJBOSA-N 2 2 389.971 3.856 20 0 GHADLP CC[N@H+](C)[C@@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000247672234 880045176 /nfs/dbraw/zinc/04/51/76/880045176.db2.gz QFAGIVLMUVDIKQ-PGRDOPGGSA-N 2 2 381.520 3.711 20 0 GHADLP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000247672234 880045189 /nfs/dbraw/zinc/04/51/89/880045189.db2.gz QFAGIVLMUVDIKQ-PGRDOPGGSA-N 2 2 381.520 3.711 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1ccccc1Cl)c1ccsc1 ZINC000453111625 880481849 /nfs/dbraw/zinc/48/18/49/880481849.db2.gz PDPUOIPUHFSRPQ-OALUTQOASA-N 2 2 391.968 3.615 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1ccccc1Cl)c1ccsc1 ZINC000453111625 880481855 /nfs/dbraw/zinc/48/18/55/880481855.db2.gz PDPUOIPUHFSRPQ-OALUTQOASA-N 2 2 391.968 3.615 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC12CC([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C2 ZINC001183498192 912594331 /nfs/dbraw/zinc/59/43/31/912594331.db2.gz DOTVBHBRKJQZFX-LECRGTDLSA-N 2 2 382.508 3.660 20 0 GHADLP COC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000453321649 880792184 /nfs/dbraw/zinc/79/21/84/880792184.db2.gz ONPDSDPKNCXQPW-LQBOVUBWSA-N 2 2 387.955 3.965 20 0 GHADLP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000453321649 880792192 /nfs/dbraw/zinc/79/21/92/880792192.db2.gz ONPDSDPKNCXQPW-LQBOVUBWSA-N 2 2 387.955 3.965 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 ZINC000429524791 880819473 /nfs/dbraw/zinc/81/94/73/880819473.db2.gz AZZYGEFDKJKWGP-ISKFKSNPSA-N 2 2 391.559 3.577 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 ZINC000429524791 880819490 /nfs/dbraw/zinc/81/94/90/880819490.db2.gz AZZYGEFDKJKWGP-ISKFKSNPSA-N 2 2 391.559 3.577 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC000792184251 880970398 /nfs/dbraw/zinc/97/03/98/880970398.db2.gz UEWISVUKCCEADP-UHFFFAOYSA-N 2 2 384.524 3.947 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000792246135 881002696 /nfs/dbraw/zinc/00/26/96/881002696.db2.gz AWKPQTUAABRKPU-UHFFFAOYSA-N 2 2 384.524 3.917 20 0 GHADLP CC(C)c1cc(Cl)ccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000626839911 881149658 /nfs/dbraw/zinc/14/96/58/881149658.db2.gz XZYNQTXSGWVRGP-UHFFFAOYSA-N 2 2 380.964 3.953 20 0 GHADLP CC(C)c1cc(Cl)ccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000626839911 881149675 /nfs/dbraw/zinc/14/96/75/881149675.db2.gz XZYNQTXSGWVRGP-UHFFFAOYSA-N 2 2 380.964 3.953 20 0 GHADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000532144424 881234698 /nfs/dbraw/zinc/23/46/98/881234698.db2.gz HONXOGDWVFRASK-LJQANCHMSA-N 2 2 397.910 3.624 20 0 GHADLP C[NH+]1CCC(Oc2ccc(CNc3[nH+]cnc4c3cnn4C(C)(C)C)cc2)CC1 ZINC000804714494 883276060 /nfs/dbraw/zinc/27/60/60/883276060.db2.gz RSGJHNKBZFIULK-UHFFFAOYSA-N 2 2 394.523 3.666 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2cc(C(C)(C)C)no2)CC1 ZINC000476981182 883499021 /nfs/dbraw/zinc/49/90/21/883499021.db2.gz GWZSRRJPVCXBOJ-QGZVFWFLSA-N 2 2 390.572 3.887 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2cc(C(C)(C)C)no2)CC1 ZINC000476981182 883499027 /nfs/dbraw/zinc/49/90/27/883499027.db2.gz GWZSRRJPVCXBOJ-QGZVFWFLSA-N 2 2 390.572 3.887 20 0 GHADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000551242629 883533865 /nfs/dbraw/zinc/53/38/65/883533865.db2.gz UUIPGXPADYCSGT-UTKZUKDTSA-N 2 2 396.510 3.531 20 0 GHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502613 912725609 /nfs/dbraw/zinc/72/56/09/912725609.db2.gz LPSZWXDAEKRUCA-DGCLKSJQSA-N 2 2 377.838 3.808 20 0 GHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@H]2C[NH+](C)C)n1 ZINC000477112790 883734458 /nfs/dbraw/zinc/73/44/58/883734458.db2.gz SIGMSCARLTTWQO-QGZVFWFLSA-N 2 2 395.576 3.950 20 0 GHADLP Cc1cccc(C[N@@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1C ZINC000428716750 883848488 /nfs/dbraw/zinc/84/84/88/883848488.db2.gz ZLSQQRABYIKTBZ-UHFFFAOYSA-N 2 2 397.588 3.923 20 0 GHADLP Fc1ccc(Cn2cc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)cn2)cc1 ZINC000189080528 883902252 /nfs/dbraw/zinc/90/22/52/883902252.db2.gz JRRGBGDRWFBBLQ-UHFFFAOYSA-N 2 2 379.414 3.685 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]Cc3ccc(OCC4CC4)cc3)C2)cc1 ZINC000428542249 883951910 /nfs/dbraw/zinc/95/19/10/883951910.db2.gz FTWLSASCQXRVNK-DEOSSOPVSA-N 2 2 380.532 3.856 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]Cc3ccc(OCC4CC4)cc3)C2)cc1 ZINC000428542249 883951917 /nfs/dbraw/zinc/95/19/17/883951917.db2.gz FTWLSASCQXRVNK-DEOSSOPVSA-N 2 2 380.532 3.856 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000192364463 884254660 /nfs/dbraw/zinc/25/46/60/884254660.db2.gz CBNXIBOQGBSCEW-UHFFFAOYSA-N 2 2 389.588 3.522 20 0 GHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000494950368 884278799 /nfs/dbraw/zinc/27/87/99/884278799.db2.gz GBWUQQJJAVAJCS-YCMKEVRSSA-N 2 2 397.485 3.844 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)cc1 ZINC000498597937 884958623 /nfs/dbraw/zinc/95/86/23/884958623.db2.gz HHHMVYZALSGUIS-UHFFFAOYSA-N 2 2 379.548 3.830 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000670180165 886217822 /nfs/dbraw/zinc/21/78/22/886217822.db2.gz LGFCSBQSQPVXFI-NHCUHLMSSA-N 2 2 395.551 3.530 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000670180165 886217830 /nfs/dbraw/zinc/21/78/30/886217830.db2.gz LGFCSBQSQPVXFI-NHCUHLMSSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173451545 886280312 /nfs/dbraw/zinc/28/03/12/886280312.db2.gz ZGJZXXCRANUNKC-ICSRJNTNSA-N 2 2 381.524 3.593 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173453770 886310789 /nfs/dbraw/zinc/31/07/89/886310789.db2.gz KSFVOFRZBGBPJE-IRXDYDNUSA-N 2 2 398.532 3.534 20 0 GHADLP Cc1c([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cnn1-c1ccccc1 ZINC000777257026 886329998 /nfs/dbraw/zinc/32/99/98/886329998.db2.gz YLFYNITZDNULCF-LAUBAEHRSA-N 2 2 390.535 3.889 20 0 GHADLP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001168235421 886341402 /nfs/dbraw/zinc/34/14/02/886341402.db2.gz VAAJQRCRBYEKMY-YVHKJVDXSA-N 2 2 383.511 3.552 20 0 GHADLP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001168235421 886341414 /nfs/dbraw/zinc/34/14/14/886341414.db2.gz VAAJQRCRBYEKMY-YVHKJVDXSA-N 2 2 383.511 3.552 20 0 GHADLP C[N@@H+]1CC[C@H](CNc2nc(N3CCCC3)cc[nH+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762575692 886451645 /nfs/dbraw/zinc/45/16/45/886451645.db2.gz YLKYFQXNLXTSAA-DNVCBOLYSA-N 2 2 389.906 3.974 20 0 GHADLP C[N@H+]1CC[C@H](CNc2nc(N3CCCC3)cc[nH+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762575692 886451653 /nfs/dbraw/zinc/45/16/53/886451653.db2.gz YLKYFQXNLXTSAA-DNVCBOLYSA-N 2 2 389.906 3.974 20 0 GHADLP Cc1ccc([C@@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)N(C)C)cc1 ZINC000118974886 886470262 /nfs/dbraw/zinc/47/02/62/886470262.db2.gz FCEXXLHJTLSZLN-XMMPIXPASA-N 2 2 380.580 3.922 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000119195955 886470593 /nfs/dbraw/zinc/47/05/93/886470593.db2.gz PFZVLWVZZQWMON-LJQANCHMSA-N 2 2 392.613 3.648 20 0 GHADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000499059382 886487422 /nfs/dbraw/zinc/48/74/22/886487422.db2.gz QDJLHGYPOGHVAK-UHFFFAOYSA-N 2 2 375.476 3.894 20 0 GHADLP Cc1[nH+]ccn1CC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000499059382 886487427 /nfs/dbraw/zinc/48/74/27/886487427.db2.gz QDJLHGYPOGHVAK-UHFFFAOYSA-N 2 2 375.476 3.894 20 0 GHADLP C[N@H+](Cc1ccccc1N1CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119327566 886593166 /nfs/dbraw/zinc/59/31/66/886593166.db2.gz PUILRWQUPFPQQH-UHFFFAOYSA-N 2 2 379.548 3.620 20 0 GHADLP C[N@@H+](Cc1ccccc1N1CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119327566 886593179 /nfs/dbraw/zinc/59/31/79/886593179.db2.gz PUILRWQUPFPQQH-UHFFFAOYSA-N 2 2 379.548 3.620 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC000537615640 886612741 /nfs/dbraw/zinc/61/27/41/886612741.db2.gz MDAKTZJKYYKFDS-HNAYVOBHSA-N 2 2 391.357 3.797 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC000537615640 886612748 /nfs/dbraw/zinc/61/27/48/886612748.db2.gz MDAKTZJKYYKFDS-HNAYVOBHSA-N 2 2 391.357 3.797 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC000537615640 886612755 /nfs/dbraw/zinc/61/27/55/886612755.db2.gz MDAKTZJKYYKFDS-HNAYVOBHSA-N 2 2 391.357 3.797 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC000537615640 886612761 /nfs/dbraw/zinc/61/27/61/886612761.db2.gz MDAKTZJKYYKFDS-HNAYVOBHSA-N 2 2 391.357 3.797 20 0 GHADLP CCN(CC)[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccco1 ZINC000119098719 886641732 /nfs/dbraw/zinc/64/17/32/886641732.db2.gz JFJJDOYICCBBSX-JOCHJYFZSA-N 2 2 384.568 3.987 20 0 GHADLP COc1ccc2oc(C[NH2+][C@H](CN3CC[NH+](C)CC3)c3ccccc3)cc2c1 ZINC000536528756 886774876 /nfs/dbraw/zinc/77/48/76/886774876.db2.gz QDXSKKFYYNMVQA-JOCHJYFZSA-N 2 2 379.504 3.520 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125517930 886875027 /nfs/dbraw/zinc/87/50/27/886875027.db2.gz HFRYIGPTWRUJLE-XXBNENTESA-N 3 2 398.620 3.855 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125517930 886875043 /nfs/dbraw/zinc/87/50/43/886875043.db2.gz HFRYIGPTWRUJLE-XXBNENTESA-N 3 2 398.620 3.855 20 0 GHADLP CC(C)NC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000128078035 887144124 /nfs/dbraw/zinc/14/41/24/887144124.db2.gz LKYXBDAIRVKFCF-GCJKJVERSA-N 2 2 395.551 3.612 20 0 GHADLP CC(C)NC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000128078035 887144132 /nfs/dbraw/zinc/14/41/32/887144132.db2.gz LKYXBDAIRVKFCF-GCJKJVERSA-N 2 2 395.551 3.612 20 0 GHADLP CC[NH+](CC)CCOc1ccc(-c2noc([C@@H]([NH3+])c3cccc(OC)c3)n2)cc1 ZINC000863667583 887276456 /nfs/dbraw/zinc/27/64/56/887276456.db2.gz JNCRMIMXVRRDFT-FQEVSTJZSA-N 2 2 396.491 3.514 20 0 GHADLP C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1cccs1 ZINC000129968182 887374392 /nfs/dbraw/zinc/37/43/92/887374392.db2.gz PAJKUSRMYGHADR-YLJYHZDGSA-N 2 2 380.517 3.747 20 0 GHADLP C[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1cccs1 ZINC000129968182 887374410 /nfs/dbraw/zinc/37/44/10/887374410.db2.gz PAJKUSRMYGHADR-YLJYHZDGSA-N 2 2 380.517 3.747 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCC(=O)c3ccc(Br)cc3)CC[C@@H]21 ZINC000322277509 887482116 /nfs/dbraw/zinc/48/21/16/887482116.db2.gz QJZRULIUAUVKSA-WMZOPIPTSA-N 2 2 379.342 3.828 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](CCCC(=O)c3ccc(Br)cc3)CC[C@@H]21 ZINC000322277509 887482125 /nfs/dbraw/zinc/48/21/25/887482125.db2.gz QJZRULIUAUVKSA-WMZOPIPTSA-N 2 2 379.342 3.828 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](CCCC(=O)c3ccc(Br)cc3)CC[C@@H]21 ZINC000322277509 887482133 /nfs/dbraw/zinc/48/21/33/887482133.db2.gz QJZRULIUAUVKSA-WMZOPIPTSA-N 2 2 379.342 3.828 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCC(=O)c3ccc(Br)cc3)CC[C@@H]21 ZINC000322277509 887482138 /nfs/dbraw/zinc/48/21/38/887482138.db2.gz QJZRULIUAUVKSA-WMZOPIPTSA-N 2 2 379.342 3.828 20 0 GHADLP Cc1ccc(OC(F)F)c(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000532675748 887587431 /nfs/dbraw/zinc/58/74/31/887587431.db2.gz BUPYWAGPDMGBBK-UHFFFAOYSA-N 2 2 390.478 3.556 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccccc1I ZINC000809756418 887797776 /nfs/dbraw/zinc/79/77/76/887797776.db2.gz QKBIPABGGXJEHR-UHFFFAOYSA-N 2 2 397.304 3.962 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccccc1I ZINC000809756418 887797791 /nfs/dbraw/zinc/79/77/91/887797791.db2.gz QKBIPABGGXJEHR-UHFFFAOYSA-N 2 2 397.304 3.962 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000053968452 887827996 /nfs/dbraw/zinc/82/79/96/887827996.db2.gz NLLBCLAJMOANHQ-UHFFFAOYSA-N 2 2 388.515 3.634 20 0 GHADLP C[C@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000287229088 913200524 /nfs/dbraw/zinc/20/05/24/913200524.db2.gz GOEBRJRJYPQGLL-ZWKOTPCHSA-N 2 2 378.476 3.533 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000810171850 888233182 /nfs/dbraw/zinc/23/31/82/888233182.db2.gz WJMNULGQRLOLMU-ZDUSSCGKSA-N 2 2 376.291 3.858 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1)c1ccc(Cl)cc1 ZINC000729683870 888526764 /nfs/dbraw/zinc/52/67/64/888526764.db2.gz DREZWKXEWGEYRV-SFTDATJTSA-N 2 2 399.922 3.545 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1)c1ccc(Cl)cc1 ZINC000729683870 888526777 /nfs/dbraw/zinc/52/67/77/888526777.db2.gz DREZWKXEWGEYRV-SFTDATJTSA-N 2 2 399.922 3.545 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282135086 888635809 /nfs/dbraw/zinc/63/58/09/888635809.db2.gz RPJHYJCHCPWZKX-WBVHZDCISA-N 2 2 378.480 3.605 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282135086 888635817 /nfs/dbraw/zinc/63/58/17/888635817.db2.gz RPJHYJCHCPWZKX-WBVHZDCISA-N 2 2 378.480 3.605 20 0 GHADLP Clc1ccccc1COc1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000729684622 888703573 /nfs/dbraw/zinc/70/35/73/888703573.db2.gz UQBFGHIGWZAPAH-CTNGQTDRSA-N 2 2 386.923 3.872 20 0 GHADLP Clc1ccccc1COc1cccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000729684622 888703578 /nfs/dbraw/zinc/70/35/78/888703578.db2.gz UQBFGHIGWZAPAH-CTNGQTDRSA-N 2 2 386.923 3.872 20 0 GHADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C(=O)N(C)C)cc1 ZINC000644536604 913350062 /nfs/dbraw/zinc/35/00/62/913350062.db2.gz JQPMCQPVMINBEE-DYESRHJHSA-N 2 2 376.504 3.757 20 0 GHADLP O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000868947665 889682928 /nfs/dbraw/zinc/68/29/28/889682928.db2.gz CPKCYEDXPVCAEV-UHFFFAOYSA-N 2 2 395.551 3.601 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000124716988 889735191 /nfs/dbraw/zinc/73/51/91/889735191.db2.gz PJQLEMUXMCNJJX-HSQYWUDLSA-N 2 2 389.559 3.725 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000124716988 889735205 /nfs/dbraw/zinc/73/52/05/889735205.db2.gz PJQLEMUXMCNJJX-HSQYWUDLSA-N 2 2 389.559 3.725 20 0 GHADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000533104266 889778438 /nfs/dbraw/zinc/77/84/38/889778438.db2.gz KOXUIMBUGLPRRC-JOCHJYFZSA-N 2 2 398.938 3.595 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000533307266 890259784 /nfs/dbraw/zinc/25/97/84/890259784.db2.gz UFMMZRCLPKHSEM-MRXNPFEDSA-N 2 2 387.549 3.996 20 0 GHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000533307266 890259797 /nfs/dbraw/zinc/25/97/97/890259797.db2.gz UFMMZRCLPKHSEM-MRXNPFEDSA-N 2 2 387.549 3.996 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000812312440 890529286 /nfs/dbraw/zinc/52/92/86/890529286.db2.gz WSROWOOOTNEAPM-GOSISDBHSA-N 2 2 379.357 3.853 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1OC(F)F ZINC000126689095 890650827 /nfs/dbraw/zinc/65/08/27/890650827.db2.gz BMPWXWLUMFDXGX-QGZVFWFLSA-N 2 2 389.490 3.886 20 0 GHADLP CCc1cccc(NC(=O)C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000812832455 891015583 /nfs/dbraw/zinc/01/55/83/891015583.db2.gz MLGVYWXTLKGCDV-UHFFFAOYSA-N 2 2 383.511 3.623 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812833155 891016919 /nfs/dbraw/zinc/01/69/19/891016919.db2.gz ATVUTJXMCRCURZ-HXUWFJFHSA-N 2 2 384.524 3.916 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812833155 891016933 /nfs/dbraw/zinc/01/69/33/891016933.db2.gz ATVUTJXMCRCURZ-HXUWFJFHSA-N 2 2 384.524 3.916 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCNc3ccc4ccccc4n3)CC2)cc1 ZINC000812837456 891026032 /nfs/dbraw/zinc/02/60/32/891026032.db2.gz OXUKTEGCYTZKCJ-UHFFFAOYSA-N 2 2 389.547 3.971 20 0 GHADLP Cc1cc(C)c(NC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)[nH+]1 ZINC000455490223 891043588 /nfs/dbraw/zinc/04/35/88/891043588.db2.gz WNAVMJNHCCYWIL-QZTJIDSGSA-N 2 2 396.535 3.938 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)[C@H]1C ZINC000533662944 891072056 /nfs/dbraw/zinc/07/20/56/891072056.db2.gz PLPDGSJNAQTJAE-MMGCJVFTSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)[C@H]1C ZINC000533662944 891072065 /nfs/dbraw/zinc/07/20/65/891072065.db2.gz PLPDGSJNAQTJAE-MMGCJVFTSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000246891466 891320544 /nfs/dbraw/zinc/32/05/44/891320544.db2.gz FLQPHSWGQDRMAP-WMZHIEFXSA-N 2 2 392.547 3.599 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000246891466 891320559 /nfs/dbraw/zinc/32/05/59/891320559.db2.gz FLQPHSWGQDRMAP-WMZHIEFXSA-N 2 2 392.547 3.599 20 0 GHADLP Clc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1Br ZINC000873056906 891448162 /nfs/dbraw/zinc/44/81/62/891448162.db2.gz SPSGVANFMDLUMZ-ZDUSSCGKSA-N 2 2 387.749 3.693 20 0 GHADLP C[C@H](c1ccccc1Br)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000497486435 891681519 /nfs/dbraw/zinc/68/15/19/891681519.db2.gz AVPORFRYHCUDIH-HRBLRVMOSA-N 2 2 392.385 3.753 20 0 GHADLP C[C@H](c1ccccc1Br)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000497486435 891681526 /nfs/dbraw/zinc/68/15/26/891681526.db2.gz AVPORFRYHCUDIH-HRBLRVMOSA-N 2 2 392.385 3.753 20 0 GHADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccn3)C[C@H]1C)CCO2 ZINC000252696104 891727188 /nfs/dbraw/zinc/72/71/88/891727188.db2.gz LUBRILJATGEEFS-VOQZNFBZSA-N 2 2 381.520 3.804 20 0 GHADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccn3)C[C@H]1C)CCO2 ZINC000252696104 891727193 /nfs/dbraw/zinc/72/71/93/891727193.db2.gz LUBRILJATGEEFS-VOQZNFBZSA-N 2 2 381.520 3.804 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+](C)CC2CCOCC2)c1=S ZINC000124682199 891840790 /nfs/dbraw/zinc/84/07/90/891840790.db2.gz UKBINGRSZIUBJR-KRWDZBQOSA-N 2 2 383.606 3.543 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+](C)CC2CCOCC2)c1=S ZINC000124682199 891840802 /nfs/dbraw/zinc/84/08/02/891840802.db2.gz UKBINGRSZIUBJR-KRWDZBQOSA-N 2 2 383.606 3.543 20 0 GHADLP C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000917397926 891894942 /nfs/dbraw/zinc/89/49/42/891894942.db2.gz SHNOOWJIHACVKU-LSDHHAIUSA-N 2 2 382.346 3.630 20 0 GHADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000874244568 892051411 /nfs/dbraw/zinc/05/14/11/892051411.db2.gz MFGLIUIDVUXWGQ-KRWDZBQOSA-N 2 2 386.462 3.538 20 0 GHADLP OCC[N@H+](CCn1cc[nH+]c1)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000162257695 892121581 /nfs/dbraw/zinc/12/15/81/892121581.db2.gz HLSXBFLIRRHPAQ-UHFFFAOYSA-N 2 2 385.895 3.610 20 0 GHADLP OCC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000162257695 892121591 /nfs/dbraw/zinc/12/15/91/892121591.db2.gz HLSXBFLIRRHPAQ-UHFFFAOYSA-N 2 2 385.895 3.610 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000129175366 893136032 /nfs/dbraw/zinc/13/60/32/893136032.db2.gz SBCQKPCCAIGFNO-LIRRHRJNSA-N 2 2 392.316 3.983 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000129175366 893136040 /nfs/dbraw/zinc/13/60/40/893136040.db2.gz SBCQKPCCAIGFNO-LIRRHRJNSA-N 2 2 392.316 3.983 20 0 GHADLP CC[N@@H+](Cc1ccnc(Br)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000815054434 893371544 /nfs/dbraw/zinc/37/15/44/893371544.db2.gz FVGFBUHORWKRHF-UHFFFAOYSA-N 2 2 389.341 3.978 20 0 GHADLP CC[N@H+](Cc1ccnc(Br)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000815054434 893371564 /nfs/dbraw/zinc/37/15/64/893371564.db2.gz FVGFBUHORWKRHF-UHFFFAOYSA-N 2 2 389.341 3.978 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)cc2)C1 ZINC000536655442 893430957 /nfs/dbraw/zinc/43/09/57/893430957.db2.gz WCYNYQHWVFZVDK-KRWDZBQOSA-N 2 2 375.476 3.752 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)cc2)C1 ZINC000536655442 893430964 /nfs/dbraw/zinc/43/09/64/893430964.db2.gz WCYNYQHWVFZVDK-KRWDZBQOSA-N 2 2 375.476 3.752 20 0 GHADLP Cc1nc2ccccc2nc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000877067058 893466877 /nfs/dbraw/zinc/46/68/77/893466877.db2.gz XMCSWJXRIJDTIR-UHFFFAOYSA-N 2 2 375.520 3.763 20 0 GHADLP CCO[P@](C)(=O)CC[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000877096095 893483058 /nfs/dbraw/zinc/48/30/58/893483058.db2.gz XODRDLUULWYUKA-QMTYFTJSSA-N 2 2 382.489 3.747 20 0 GHADLP COc1cnc([C@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCCCC3)c2)[nH]c1=O ZINC000934277905 893519166 /nfs/dbraw/zinc/51/91/66/893519166.db2.gz DDGUBYWZCUHVOW-LJQANCHMSA-N 2 2 382.508 3.514 20 0 GHADLP COc1cnc([C@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCCCC3)c2)[nH]c1=O ZINC000934277905 893519174 /nfs/dbraw/zinc/51/91/74/893519174.db2.gz DDGUBYWZCUHVOW-LJQANCHMSA-N 2 2 382.508 3.514 20 0 GHADLP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3nc(Cl)cs3)CC2)c1C ZINC000877531626 893668508 /nfs/dbraw/zinc/66/85/08/893668508.db2.gz PWEGVQOOHUFCBI-UHFFFAOYSA-N 2 2 394.972 3.913 20 0 GHADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000563406888 893696505 /nfs/dbraw/zinc/69/65/05/893696505.db2.gz CYVNAUZBVZFWNW-GCJKJVERSA-N 2 2 394.563 3.738 20 0 GHADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000563406888 893696509 /nfs/dbraw/zinc/69/65/09/893696509.db2.gz CYVNAUZBVZFWNW-GCJKJVERSA-N 2 2 394.563 3.738 20 0 GHADLP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536836807 893911284 /nfs/dbraw/zinc/91/12/84/893911284.db2.gz CIJPUTHBZVNWQS-JXFKEZNVSA-N 2 2 378.451 3.858 20 0 GHADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000536845007 893921462 /nfs/dbraw/zinc/92/14/62/893921462.db2.gz IYMNGSALNJIHBH-OKZBNKHCSA-N 2 2 397.332 3.543 20 0 GHADLP CSc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)[NH+](C)C)cc1 ZINC000563670645 894048592 /nfs/dbraw/zinc/04/85/92/894048592.db2.gz UQCDAOJILBLEEK-LEOXJPRUSA-N 2 2 398.620 3.906 20 0 GHADLP CSc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)[NH+](C)C)cc1 ZINC000563670645 894048608 /nfs/dbraw/zinc/04/86/08/894048608.db2.gz UQCDAOJILBLEEK-LEOXJPRUSA-N 2 2 398.620 3.906 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460124500 894719244 /nfs/dbraw/zinc/71/92/44/894719244.db2.gz LCGBOKDRVKSHJS-UHFFFAOYSA-N 2 2 386.584 3.659 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H](C)O1 ZINC000460186363 894828735 /nfs/dbraw/zinc/82/87/35/894828735.db2.gz XNYRAJQJGRTMBA-KDURUIRLSA-N 2 2 387.568 3.746 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H](C)O1 ZINC000460186363 894828743 /nfs/dbraw/zinc/82/87/43/894828743.db2.gz XNYRAJQJGRTMBA-KDURUIRLSA-N 2 2 387.568 3.746 20 0 GHADLP CC[NH+]1CCC(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000564679043 895175414 /nfs/dbraw/zinc/17/54/14/895175414.db2.gz YJGKZBNQPALLIZ-UHFFFAOYSA-N 2 2 381.524 3.740 20 0 GHADLP COC(=O)c1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c(Br)c1 ZINC000565137724 895417857 /nfs/dbraw/zinc/41/78/57/895417857.db2.gz YVGUASYGMSZYJP-CQSZACIVSA-N 2 2 383.330 3.590 20 0 GHADLP O=C(C[NH2+][C@@H]1CCCCC12CCCC2)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000565634497 895774228 /nfs/dbraw/zinc/77/42/28/895774228.db2.gz AHQBDAMZPBXALZ-QGZVFWFLSA-N 2 2 376.570 3.770 20 0 GHADLP Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000566104061 896111079 /nfs/dbraw/zinc/11/10/79/896111079.db2.gz YTPYVDCGLFKEKA-AWEZNQCLSA-N 2 2 396.322 3.582 20 0 GHADLP CNC(=O)C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000566216207 896177291 /nfs/dbraw/zinc/17/72/91/896177291.db2.gz UVKYNTIHGKPYRM-FCHUYYIVSA-N 2 2 377.532 3.651 20 0 GHADLP CNC(=O)C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000566216207 896177297 /nfs/dbraw/zinc/17/72/97/896177297.db2.gz UVKYNTIHGKPYRM-FCHUYYIVSA-N 2 2 377.532 3.651 20 0 GHADLP CC(C)([NH3+])c1noc(C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)n1 ZINC000566245538 896196287 /nfs/dbraw/zinc/19/62/87/896196287.db2.gz UCXZXJJEOVBHMC-OAHLLOKOSA-N 2 2 379.302 3.657 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000566244393 896196749 /nfs/dbraw/zinc/19/67/49/896196749.db2.gz LRWIEAVXGAZKSS-KKVAFCGZSA-N 2 2 387.911 3.698 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000566244393 896196753 /nfs/dbraw/zinc/19/67/53/896196753.db2.gz LRWIEAVXGAZKSS-KKVAFCGZSA-N 2 2 387.911 3.698 20 0 GHADLP COc1ccc(O[C@@H](C)C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000129043310 896359747 /nfs/dbraw/zinc/35/97/47/896359747.db2.gz IALZHOMYENAJBR-SFHVURJKSA-N 2 2 383.536 3.787 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000566573719 896384765 /nfs/dbraw/zinc/38/47/65/896384765.db2.gz ALMNWAHHTYXMGT-OIBXWCBGSA-N 2 2 380.532 3.679 20 0 GHADLP COc1c(Br)cc(C[N@H+](C)C2(C[NH3+])CCC2)cc1Br ZINC000566973124 896758785 /nfs/dbraw/zinc/75/87/85/896758785.db2.gz AODZZSXPLQHLON-UHFFFAOYSA-N 2 2 392.135 3.533 20 0 GHADLP COc1c(Br)cc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1Br ZINC000566973124 896758796 /nfs/dbraw/zinc/75/87/96/896758796.db2.gz AODZZSXPLQHLON-UHFFFAOYSA-N 2 2 392.135 3.533 20 0 GHADLP Fc1ccc(/C=C/C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1F ZINC000567147311 896912401 /nfs/dbraw/zinc/91/24/01/896912401.db2.gz GUQAXBUASVZPNT-ZMTJCJBESA-N 2 2 397.513 3.870 20 0 GHADLP Fc1ccc(/C=C/C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1F ZINC000567147311 896912415 /nfs/dbraw/zinc/91/24/15/896912415.db2.gz GUQAXBUASVZPNT-ZMTJCJBESA-N 2 2 397.513 3.870 20 0 GHADLP CN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1(C[NH3+])CCCCC1 ZINC000883549760 897692540 /nfs/dbraw/zinc/69/25/40/897692540.db2.gz VYDYUQUROPDNMM-UHFFFAOYSA-N 2 2 379.508 3.727 20 0 GHADLP C[C@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000883601827 897750430 /nfs/dbraw/zinc/75/04/30/897750430.db2.gz HCGXLSRKTXOPAW-RCZSKKKRSA-N 2 2 395.551 3.577 20 0 GHADLP C[C@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000883601827 897750441 /nfs/dbraw/zinc/75/04/41/897750441.db2.gz HCGXLSRKTXOPAW-RCZSKKKRSA-N 2 2 395.551 3.577 20 0 GHADLP O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000101544984 897944258 /nfs/dbraw/zinc/94/42/58/897944258.db2.gz BTGROSJHMIUJAG-UHFFFAOYSA-N 2 2 392.478 3.540 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(N4CCCC4)nc3)CC2)cc1 ZINC000133051153 898102980 /nfs/dbraw/zinc/10/29/80/898102980.db2.gz QOYPDHNUCJWSOH-UHFFFAOYSA-N 2 2 379.552 3.506 20 0 GHADLP COc1cc(Br)ccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000569410309 898634743 /nfs/dbraw/zinc/63/47/43/898634743.db2.gz RTQRPZMFFNELJP-UHFFFAOYSA-N 2 2 386.293 3.992 20 0 GHADLP CC(C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)C1 ZINC001136640100 898702018 /nfs/dbraw/zinc/70/20/18/898702018.db2.gz LGTGESDXVGFUDO-QGZVFWFLSA-N 2 2 383.540 3.608 20 0 GHADLP CC(C)[N@H+]1CCC[C@@H](C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)C1 ZINC001136640100 898702029 /nfs/dbraw/zinc/70/20/29/898702029.db2.gz LGTGESDXVGFUDO-QGZVFWFLSA-N 2 2 383.540 3.608 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000569630275 898836570 /nfs/dbraw/zinc/83/65/70/898836570.db2.gz XLGQFJRORVJWTO-FUHWJXTLSA-N 2 2 387.487 3.845 20 0 GHADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC000823477235 899050780 /nfs/dbraw/zinc/05/07/80/899050780.db2.gz NSHKSLYGEKOPMZ-HXUWFJFHSA-N 2 2 381.520 3.535 20 0 GHADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC000823477235 899050793 /nfs/dbraw/zinc/05/07/93/899050793.db2.gz NSHKSLYGEKOPMZ-HXUWFJFHSA-N 2 2 381.520 3.535 20 0 GHADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC000823477235 899050803 /nfs/dbraw/zinc/05/08/03/899050803.db2.gz NSHKSLYGEKOPMZ-HXUWFJFHSA-N 2 2 381.520 3.535 20 0 GHADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC000823477235 899050817 /nfs/dbraw/zinc/05/08/17/899050817.db2.gz NSHKSLYGEKOPMZ-HXUWFJFHSA-N 2 2 381.520 3.535 20 0 GHADLP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1Br ZINC000331953616 899289589 /nfs/dbraw/zinc/28/95/89/899289589.db2.gz PCFOONUXOLYUEE-CYBMUJFWSA-N 2 2 391.313 3.687 20 0 GHADLP CC(C)[C@H](CCc1ccccc1)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC001171052157 899520891 /nfs/dbraw/zinc/52/08/91/899520891.db2.gz VASKETPHJZDLOW-NRFANRHFSA-N 2 2 380.536 3.677 20 0 GHADLP C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333195092 900025794 /nfs/dbraw/zinc/02/57/94/900025794.db2.gz WYAWUOLZIHWTFZ-OAHLLOKOSA-N 2 2 377.492 3.809 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1cccc2ccccc21 ZINC000572011531 900033551 /nfs/dbraw/zinc/03/35/51/900033551.db2.gz HCPXCFKHJHRJTG-JENIJYKNSA-N 2 2 376.504 3.629 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1cccc2ccccc21 ZINC000572011531 900033565 /nfs/dbraw/zinc/03/35/65/900033565.db2.gz HCPXCFKHJHRJTG-JENIJYKNSA-N 2 2 376.504 3.629 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[NH+]1CCC3(CCCCC3)CC1)C2 ZINC000572085799 900061489 /nfs/dbraw/zinc/06/14/89/900061489.db2.gz RVVAIMFZRKGMIS-SFHVURJKSA-N 2 2 386.584 3.801 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[NH+]1CCC3(CCCCC3)CC1)CC2 ZINC000572085799 900061503 /nfs/dbraw/zinc/06/15/03/900061503.db2.gz RVVAIMFZRKGMIS-SFHVURJKSA-N 2 2 386.584 3.801 20 0 GHADLP COCOc1ccc(OC)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000135894473 900489845 /nfs/dbraw/zinc/48/98/45/900489845.db2.gz DJENOLQLEJHECD-WIYYLYMNSA-N 2 2 384.520 3.821 20 0 GHADLP COCOc1ccc(OC)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000135894473 900489855 /nfs/dbraw/zinc/48/98/55/900489855.db2.gz DJENOLQLEJHECD-WIYYLYMNSA-N 2 2 384.520 3.821 20 0 GHADLP Cc1[nH]c(C2CC[NH+](Cc3c(Cl)n(C)nc3C(F)(F)F)CC2)[nH+]c1C ZINC000886662515 901214033 /nfs/dbraw/zinc/21/40/33/901214033.db2.gz FYXFFLUWXRGLNR-UHFFFAOYSA-N 2 2 375.826 3.812 20 0 GHADLP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)Nc3ccc(OC(F)F)cc3)CC2)[nH+]c1C ZINC000886672065 901218916 /nfs/dbraw/zinc/21/89/16/901218916.db2.gz IDOGQTOVOOUWDQ-CQSZACIVSA-N 2 2 392.450 3.835 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1n[nH]c3ccc(F)cc31)CC2 ZINC001144195579 901234993 /nfs/dbraw/zinc/23/49/93/901234993.db2.gz VWKIDWBAEJWTRT-KRWDZBQOSA-N 2 2 398.482 3.551 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1n[nH]c3ccc(F)cc31)CC2 ZINC001144195579 901235003 /nfs/dbraw/zinc/23/50/03/901235003.db2.gz VWKIDWBAEJWTRT-KRWDZBQOSA-N 2 2 398.482 3.551 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000093692938 901562031 /nfs/dbraw/zinc/56/20/31/901562031.db2.gz QESBFDQZIYZXPK-NRFANRHFSA-N 2 2 383.536 3.833 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000093692938 901562043 /nfs/dbraw/zinc/56/20/43/901562043.db2.gz QESBFDQZIYZXPK-NRFANRHFSA-N 2 2 383.536 3.833 20 0 GHADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000333436825 902088612 /nfs/dbraw/zinc/08/86/12/902088612.db2.gz VMYUMQICXOMLEO-LAUBAEHRSA-N 2 2 393.535 3.977 20 0 GHADLP CC(C)CO[C@@H]1CC[N@H+](Cc2cncc(C[NH+]3CC[C@H](OCC(C)C)C3)c2)C1 ZINC000576670987 902177260 /nfs/dbraw/zinc/17/72/60/902177260.db2.gz YYGDOTCPSWRYAO-ZRZAMGCNSA-N 2 2 389.584 3.575 20 0 GHADLP CC(C)CO[C@@H]1CC[N@@H+](Cc2cncc(C[NH+]3CC[C@H](OCC(C)C)C3)c2)C1 ZINC000576670987 902177268 /nfs/dbraw/zinc/17/72/68/902177268.db2.gz YYGDOTCPSWRYAO-ZRZAMGCNSA-N 2 2 389.584 3.575 20 0 GHADLP CC(C)CO[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](OCC(C)C)C3)c2)C1 ZINC000576670987 902177274 /nfs/dbraw/zinc/17/72/74/902177274.db2.gz YYGDOTCPSWRYAO-ZRZAMGCNSA-N 2 2 389.584 3.575 20 0 GHADLP CC(C)CO[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](OCC(C)C)C3)c2)C1 ZINC000576670987 902177284 /nfs/dbraw/zinc/17/72/84/902177284.db2.gz YYGDOTCPSWRYAO-ZRZAMGCNSA-N 2 2 389.584 3.575 20 0 GHADLP C[N@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000576983954 902409440 /nfs/dbraw/zinc/40/94/40/902409440.db2.gz IGBAKTDKSNNNQP-DFNIBXOVSA-N 2 2 389.341 3.692 20 0 GHADLP C[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000576983954 902409446 /nfs/dbraw/zinc/40/94/46/902409446.db2.gz IGBAKTDKSNNNQP-DFNIBXOVSA-N 2 2 389.341 3.692 20 0 GHADLP C[NH+](Cc1cnn(-c2ccc(Br)cc2)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000576983954 902409452 /nfs/dbraw/zinc/40/94/52/902409452.db2.gz IGBAKTDKSNNNQP-DFNIBXOVSA-N 2 2 389.341 3.692 20 0 GHADLP C[NH+](Cc1cnn(-c2ccc(Br)cc2)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000576983954 902409456 /nfs/dbraw/zinc/40/94/56/902409456.db2.gz IGBAKTDKSNNNQP-DFNIBXOVSA-N 2 2 389.341 3.692 20 0 GHADLP Cc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(Br)c1 ZINC000577426338 902762763 /nfs/dbraw/zinc/76/27/63/902762763.db2.gz WTVBBYVGPJZDJH-DFNIBXOVSA-N 2 2 392.385 3.500 20 0 GHADLP Cc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(Br)c1 ZINC000577426338 902762769 /nfs/dbraw/zinc/76/27/69/902762769.db2.gz WTVBBYVGPJZDJH-DFNIBXOVSA-N 2 2 392.385 3.500 20 0 GHADLP CSc1cc(F)ccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000646551886 914660214 /nfs/dbraw/zinc/66/02/14/914660214.db2.gz LTAYBKQJYHDZTB-UHFFFAOYSA-N 2 2 394.560 3.619 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000131175213 903065777 /nfs/dbraw/zinc/06/57/77/903065777.db2.gz FBLQEHNEOMSJIJ-KRWDZBQOSA-N 2 2 388.556 3.596 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N3CCC(c4ccccc4)([NH+]4CCCC4)CC3)ccn12 ZINC000887610928 903127956 /nfs/dbraw/zinc/12/79/56/903127956.db2.gz KNXLDFKAGNCRDE-UHFFFAOYSA-N 2 2 388.515 3.870 20 0 GHADLP CC(C)c1ccoc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000577778091 903175339 /nfs/dbraw/zinc/17/53/39/903175339.db2.gz SFWJLZIVFFURNH-PMACEKPBSA-N 2 2 375.557 3.812 20 0 GHADLP CC(C)c1ccoc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000577778091 903175346 /nfs/dbraw/zinc/17/53/46/903175346.db2.gz SFWJLZIVFFURNH-PMACEKPBSA-N 2 2 375.557 3.812 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001146890242 903629163 /nfs/dbraw/zinc/62/91/63/903629163.db2.gz CNBCASHMHJPAIY-UHFFFAOYSA-N 2 2 379.957 3.682 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001146890242 903629169 /nfs/dbraw/zinc/62/91/69/903629169.db2.gz CNBCASHMHJPAIY-UHFFFAOYSA-N 2 2 379.957 3.682 20 0 GHADLP CC[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)s1 ZINC000265120239 903645014 /nfs/dbraw/zinc/64/50/14/903645014.db2.gz FIPRESREPYOPHB-INIZCTEOSA-N 2 2 399.004 3.710 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1 ZINC001146987615 903654130 /nfs/dbraw/zinc/65/41/30/903654130.db2.gz ZTFMJZHOSLZKPX-UHFFFAOYSA-N 2 2 389.381 3.913 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000779070679 903873248 /nfs/dbraw/zinc/87/32/48/903873248.db2.gz CUEQHIRPGNKQJH-RBUKOAKNSA-N 2 2 384.524 3.693 20 0 GHADLP COC(=O)C1(Nc2ccc([NH+](C)C)c(C)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001171511197 904789007 /nfs/dbraw/zinc/78/90/07/904789007.db2.gz NHZDDPYXBUDWTA-UHFFFAOYSA-N 2 2 381.520 3.681 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(OC)ccc1Cl)C2 ZINC001137261692 904986634 /nfs/dbraw/zinc/98/66/34/904986634.db2.gz WFXVUUOGVONKON-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(OC)ccc1Cl)C2 ZINC001137261692 904986644 /nfs/dbraw/zinc/98/66/44/904986644.db2.gz WFXVUUOGVONKON-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(OC)ccc1Cl)C2 ZINC001137261692 904986649 /nfs/dbraw/zinc/98/66/49/904986649.db2.gz WFXVUUOGVONKON-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(OC)ccc1Cl)C2 ZINC001137261692 904986652 /nfs/dbraw/zinc/98/66/52/904986652.db2.gz WFXVUUOGVONKON-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP FC(F)n1c2ccccc2nc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173955628 905171581 /nfs/dbraw/zinc/17/15/81/905171581.db2.gz IRBHKEFHAKYKIT-UHFFFAOYSA-N 2 2 378.467 3.508 20 0 GHADLP CC(C)(C)OC(=O)C1CCC([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)CC1 ZINC001171927725 905183002 /nfs/dbraw/zinc/18/30/02/905183002.db2.gz YDMFZRSWHKJTKQ-QSRFUDQGSA-N 2 2 399.579 3.736 20 0 GHADLP CC(C)(C)OC(=O)C1CCC([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)CC1 ZINC001171927725 905183010 /nfs/dbraw/zinc/18/30/10/905183010.db2.gz YDMFZRSWHKJTKQ-QSRFUDQGSA-N 2 2 399.579 3.736 20 0 GHADLP CC(C)(C)OC(=O)C1CCC([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)CC1 ZINC001171927725 905183014 /nfs/dbraw/zinc/18/30/14/905183014.db2.gz YDMFZRSWHKJTKQ-QSRFUDQGSA-N 2 2 399.579 3.736 20 0 GHADLP CC(C)(C)OC(=O)C1CCC([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)CC1 ZINC001171927725 905183021 /nfs/dbraw/zinc/18/30/21/905183021.db2.gz YDMFZRSWHKJTKQ-QSRFUDQGSA-N 2 2 399.579 3.736 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CC(=O)N2CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001171969806 905216683 /nfs/dbraw/zinc/21/66/83/905216683.db2.gz XGDFXFIXLOYMRP-NRFANRHFSA-N 2 2 377.532 3.609 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CC(=O)N2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171969806 905216703 /nfs/dbraw/zinc/21/67/03/905216703.db2.gz XGDFXFIXLOYMRP-NRFANRHFSA-N 2 2 377.532 3.609 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001172075954 905287771 /nfs/dbraw/zinc/28/77/71/905287771.db2.gz ZCJVEFJOFSJBBG-KOUNCHBCSA-N 3 2 396.579 3.702 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172075954 905287789 /nfs/dbraw/zinc/28/77/89/905287789.db2.gz ZCJVEFJOFSJBBG-KOUNCHBCSA-N 3 2 396.579 3.702 20 0 GHADLP CCOC(=O)c1ccnc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172066471 905330848 /nfs/dbraw/zinc/33/08/48/905330848.db2.gz XJPBVCFYKFFYMC-UADZTWIMSA-N 2 2 393.531 3.934 20 0 GHADLP CCOC(=O)c1ccnc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172066471 905330866 /nfs/dbraw/zinc/33/08/66/905330866.db2.gz XJPBVCFYKFFYMC-UADZTWIMSA-N 2 2 393.531 3.934 20 0 GHADLP COC(=O)[C@H]1CCC[C@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001172803309 905876278 /nfs/dbraw/zinc/87/62/78/905876278.db2.gz NTONUBRVQZEHPA-ICSRJNTNSA-N 2 2 376.516 3.844 20 0 GHADLP COC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001172803309 905876282 /nfs/dbraw/zinc/87/62/82/905876282.db2.gz NTONUBRVQZEHPA-ICSRJNTNSA-N 2 2 376.516 3.844 20 0 GHADLP C[C@@H]1CC[C@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001173058786 906135548 /nfs/dbraw/zinc/13/55/48/906135548.db2.gz ZUTDTMVAGKNJRN-SJORKVTESA-N 2 2 375.513 3.713 20 0 GHADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000628476354 906157157 /nfs/dbraw/zinc/15/71/57/906157157.db2.gz YTXDJZONEFLAFO-UHFFFAOYSA-N 2 2 395.547 3.834 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1nc2ccc(Cl)cc2n1C ZINC000179979141 906648543 /nfs/dbraw/zinc/64/85/43/906648543.db2.gz WKWZPACITMDXDH-INIZCTEOSA-N 2 2 398.938 3.910 20 0 GHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000779387226 906666313 /nfs/dbraw/zinc/66/63/13/906666313.db2.gz MCHXGSNPOJRJKU-AEFFLSMTSA-N 2 2 376.545 3.530 20 0 GHADLP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)CC[C@@H]1C(F)(F)F ZINC000629656816 906935296 /nfs/dbraw/zinc/93/52/96/906935296.db2.gz RCVFFIXXLXWPMX-WMZOPIPTSA-N 2 2 379.426 3.620 20 0 GHADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)CC[C@@H]1C(F)(F)F ZINC000629656816 906935306 /nfs/dbraw/zinc/93/53/06/906935306.db2.gz RCVFFIXXLXWPMX-WMZOPIPTSA-N 2 2 379.426 3.620 20 0 GHADLP c1cc(C[NH+]2CCCC2)cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001174432473 907023302 /nfs/dbraw/zinc/02/33/02/907023302.db2.gz RBSVBYANPMHVHQ-UHFFFAOYSA-N 2 2 381.520 3.737 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000181588668 907032699 /nfs/dbraw/zinc/03/26/99/907032699.db2.gz CEWKHPNTYNKUGT-ROUUACIJSA-N 2 2 376.508 3.539 20 0 GHADLP O[C@]1(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001174846715 907254712 /nfs/dbraw/zinc/25/47/12/907254712.db2.gz XEZGRALNMRTNLW-REWPJTCUSA-N 2 2 386.486 3.781 20 0 GHADLP O[C@]1(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001174846715 907254730 /nfs/dbraw/zinc/25/47/30/907254730.db2.gz XEZGRALNMRTNLW-REWPJTCUSA-N 2 2 386.486 3.781 20 0 GHADLP O[C@]1(C[NH+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001174846715 907254750 /nfs/dbraw/zinc/25/47/50/907254750.db2.gz XEZGRALNMRTNLW-REWPJTCUSA-N 2 2 386.486 3.781 20 0 GHADLP O[C@]1(C[NH+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001174846715 907254766 /nfs/dbraw/zinc/25/47/66/907254766.db2.gz XEZGRALNMRTNLW-REWPJTCUSA-N 2 2 386.486 3.781 20 0 GHADLP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)c1 ZINC001175965488 907842505 /nfs/dbraw/zinc/84/25/05/907842505.db2.gz KCDPBQFRIXZFMI-SFHVURJKSA-N 2 2 380.960 3.729 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ncc(Br)cc1F ZINC000187117808 908040203 /nfs/dbraw/zinc/04/02/03/908040203.db2.gz XIVDRGGMKXYXGH-ZDUSSCGKSA-N 2 2 396.304 3.774 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000191508160 908634025 /nfs/dbraw/zinc/63/40/25/908634025.db2.gz AQEQGUYBAIRXNS-CQSZACIVSA-N 2 2 387.553 3.834 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000191508160 908634036 /nfs/dbraw/zinc/63/40/36/908634036.db2.gz AQEQGUYBAIRXNS-CQSZACIVSA-N 2 2 387.553 3.834 20 0 GHADLP Cn1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(-c2cc(F)ccc2F)n1 ZINC001177566278 908644596 /nfs/dbraw/zinc/64/45/96/908644596.db2.gz RSEAKHPBKFVPAF-UHFFFAOYSA-N 2 2 379.414 3.841 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)CC1 ZINC000192838842 908828609 /nfs/dbraw/zinc/82/86/09/908828609.db2.gz MGWHJBJNAODACU-NQIIRXRSSA-N 2 2 379.976 3.518 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)CC1 ZINC000192838842 908828619 /nfs/dbraw/zinc/82/86/19/908828619.db2.gz MGWHJBJNAODACU-NQIIRXRSSA-N 2 2 379.976 3.518 20 0 GHADLP C[C@H](CC[NH2+]Cc1ccc(F)cc1I)[NH+]1CCCCC1 ZINC001178462715 909064000 /nfs/dbraw/zinc/06/40/00/909064000.db2.gz HKBSZDXSDOTYHA-CYBMUJFWSA-N 2 2 390.284 3.784 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)c2c1OC(F)(F)O2 ZINC001178998948 909351956 /nfs/dbraw/zinc/35/19/56/909351956.db2.gz UPRYNUJTSGBTAB-QFBILLFUSA-N 2 2 378.394 3.797 20 0 GHADLP O[C@H]1C[C@]([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)(c2ccccc2)C1 ZINC001179520341 909558144 /nfs/dbraw/zinc/55/81/44/909558144.db2.gz LOTVJHKCZLLXMQ-IQGASKDCSA-N 2 2 397.906 3.755 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)CC(F)(F)F ZINC001180149415 909989654 /nfs/dbraw/zinc/98/96/54/909989654.db2.gz XKTJTBHQJWWRST-HZPDHXFCSA-N 2 2 393.494 3.782 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)CC(F)(F)F ZINC001180149415 909989667 /nfs/dbraw/zinc/98/96/67/909989667.db2.gz XKTJTBHQJWWRST-HZPDHXFCSA-N 2 2 393.494 3.782 20 0 GHADLP CC[N@H+](Cc1cccnc1N(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001180292733 910077008 /nfs/dbraw/zinc/07/70/08/910077008.db2.gz OOBCQHUEWHNBHW-UHFFFAOYSA-N 2 2 396.583 3.860 20 0 GHADLP CC[N@@H+](Cc1cccnc1N(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001180292733 910077023 /nfs/dbraw/zinc/07/70/23/910077023.db2.gz OOBCQHUEWHNBHW-UHFFFAOYSA-N 2 2 396.583 3.860 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638335246 910122009 /nfs/dbraw/zinc/12/20/09/910122009.db2.gz JTSFMRDVWSBQSE-GGAORHGYSA-N 2 2 377.532 3.846 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638335246 910122021 /nfs/dbraw/zinc/12/20/21/910122021.db2.gz JTSFMRDVWSBQSE-GGAORHGYSA-N 2 2 377.532 3.846 20 0 GHADLP COc1ccc(N(C(C)=O)c2nc(C[NH2+]CCCCn3cc[nH+]c3)cs2)cc1 ZINC000638404389 910148741 /nfs/dbraw/zinc/14/87/41/910148741.db2.gz BPUPCUZQIRBAQY-UHFFFAOYSA-N 2 2 399.520 3.603 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3c[nH]nc3-c3ccccc3)[nH+]c2)CC1 ZINC000269150967 910163297 /nfs/dbraw/zinc/16/32/97/910163297.db2.gz PURVELKAPWUCDY-UHFFFAOYSA-N 2 2 376.508 3.614 20 0 GHADLP Cc1nc2ccccc2nc1C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000638567678 910194856 /nfs/dbraw/zinc/19/48/56/910194856.db2.gz QGFZBUBAMBCCRO-MRXNPFEDSA-N 2 2 393.510 3.680 20 0 GHADLP CCc1cc(N2CCC[N@H+](Cc3nc([C@H](C)OC)no3)CC2)c2ccccc2[nH+]1 ZINC000269742979 910346491 /nfs/dbraw/zinc/34/64/91/910346491.db2.gz LDVZOOPYSAFIJJ-INIZCTEOSA-N 2 2 395.507 3.600 20 0 GHADLP CCc1cc(N2CCC[N@@H+](Cc3nc([C@H](C)OC)no3)CC2)c2ccccc2[nH+]1 ZINC000269742979 910346504 /nfs/dbraw/zinc/34/65/04/910346504.db2.gz LDVZOOPYSAFIJJ-INIZCTEOSA-N 2 2 395.507 3.600 20 0 GHADLP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC[N@@H+]1C ZINC000270177869 910470916 /nfs/dbraw/zinc/47/09/16/910470916.db2.gz CKKSVIHXXIOXAP-AEFFLSMTSA-N 2 2 379.508 3.548 20 0 GHADLP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC[N@H+]1C ZINC000270177869 910470925 /nfs/dbraw/zinc/47/09/25/910470925.db2.gz CKKSVIHXXIOXAP-AEFFLSMTSA-N 2 2 379.508 3.548 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000246871291 910719992 /nfs/dbraw/zinc/71/99/92/910719992.db2.gz DKYGHWNNULBCHZ-YJBOKZPZSA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000246871291 910720003 /nfs/dbraw/zinc/72/00/03/910720003.db2.gz DKYGHWNNULBCHZ-YJBOKZPZSA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000246871291 910720013 /nfs/dbraw/zinc/72/00/13/910720013.db2.gz DKYGHWNNULBCHZ-YJBOKZPZSA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000246871291 910720023 /nfs/dbraw/zinc/72/00/23/910720023.db2.gz DKYGHWNNULBCHZ-YJBOKZPZSA-N 2 2 394.350 3.934 20 0 GHADLP COCCCOc1cccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000271185042 910807930 /nfs/dbraw/zinc/80/79/30/910807930.db2.gz JHGWZQDTYDZMQF-UHFFFAOYSA-N 2 2 397.563 3.636 20 0 GHADLP COCCCOc1cccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000271185042 910807937 /nfs/dbraw/zinc/80/79/37/910807937.db2.gz JHGWZQDTYDZMQF-UHFFFAOYSA-N 2 2 397.563 3.636 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@H]1C)c1ccccc1Cl ZINC001182220391 911311002 /nfs/dbraw/zinc/31/10/02/911311002.db2.gz AZHQMZAXRCOBMT-UXPWSPDFSA-N 2 2 379.976 3.958 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@H+](C(C)C)C[C@H]1C)c1ccccc1Cl ZINC001182220391 911311018 /nfs/dbraw/zinc/31/10/18/911311018.db2.gz AZHQMZAXRCOBMT-UXPWSPDFSA-N 2 2 379.976 3.958 20 0 GHADLP CCn1nc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c2ccccc21 ZINC000274430678 911333885 /nfs/dbraw/zinc/33/38/85/911333885.db2.gz MGJIFDVSSNWHMK-GOSISDBHSA-N 2 2 378.520 3.567 20 0 GHADLP CCn1nc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c2ccccc21 ZINC000274430678 911333910 /nfs/dbraw/zinc/33/39/10/911333910.db2.gz MGJIFDVSSNWHMK-GOSISDBHSA-N 2 2 378.520 3.567 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000283058836 911356340 /nfs/dbraw/zinc/35/63/40/911356340.db2.gz WJZKUIRKNDPTGB-WOJBJXKFSA-N 2 2 395.551 3.599 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000283058836 911356357 /nfs/dbraw/zinc/35/63/57/911356357.db2.gz WJZKUIRKNDPTGB-WOJBJXKFSA-N 2 2 395.551 3.599 20 0 GHADLP COc1ccc([C@@H]([NH2+]CCC[NH+](C)C)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000774112699 911399959 /nfs/dbraw/zinc/39/99/59/911399959.db2.gz SLKHVPLEQSVKHI-WOJBJXKFSA-N 2 2 391.556 3.677 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000283684647 911611246 /nfs/dbraw/zinc/61/12/46/911611246.db2.gz GHIXKFLZOHBNFS-UHFFFAOYSA-N 2 2 381.524 3.881 20 0 GHADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c[nH+]1 ZINC000642339564 911998500 /nfs/dbraw/zinc/99/85/00/911998500.db2.gz MHGDYKQXLSSHIT-UHFFFAOYSA-N 3 2 390.531 3.696 20 0 GHADLP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001183030728 912205507 /nfs/dbraw/zinc/20/55/07/912205507.db2.gz PZTDYTHNNKBGRO-VGOFRKELSA-N 2 2 392.503 3.797 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)N1Cc2ccccc2C1 ZINC000647207685 915083067 /nfs/dbraw/zinc/08/30/67/915083067.db2.gz GUKWERMBZQHJOR-WMZHIEFXSA-N 2 2 389.543 3.704 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)N1Cc2ccccc2C1 ZINC000647207685 915083084 /nfs/dbraw/zinc/08/30/84/915083084.db2.gz GUKWERMBZQHJOR-WMZHIEFXSA-N 2 2 389.543 3.704 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4cnccc4c3)CC2)cc1 ZINC000648751278 915860866 /nfs/dbraw/zinc/86/08/66/915860866.db2.gz LDUKCSBVSSXHPW-UHFFFAOYSA-N 2 2 388.515 3.947 20 0 GHADLP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000649413545 916145239 /nfs/dbraw/zinc/14/52/39/916145239.db2.gz HWUSFKQRZYNNGE-PMOQBDJRSA-N 2 2 392.547 3.685 20 0 GHADLP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000649413545 916145248 /nfs/dbraw/zinc/14/52/48/916145248.db2.gz HWUSFKQRZYNNGE-PMOQBDJRSA-N 2 2 392.547 3.685 20 0 GHADLP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000775384690 917320804 /nfs/dbraw/zinc/32/08/04/917320804.db2.gz FNRIEPSFZTUGOV-MJXUCMMTSA-N 2 2 397.382 3.685 20 0 GHADLP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000775384690 917320814 /nfs/dbraw/zinc/32/08/14/917320814.db2.gz FNRIEPSFZTUGOV-MJXUCMMTSA-N 2 2 397.382 3.685 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1Cl ZINC000651052808 917396910 /nfs/dbraw/zinc/39/69/10/917396910.db2.gz ZLRZEWNIINUYAP-IBGZPJMESA-N 2 2 388.943 3.615 20 0 GHADLP C[C@](CO)([NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC001191144010 917810577 /nfs/dbraw/zinc/81/05/77/917810577.db2.gz IGFFADSNNNZFLE-JOCHJYFZSA-N 2 2 394.003 3.773 20 0 GHADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@@H]1CC[NH3+] ZINC000652353577 917878836 /nfs/dbraw/zinc/87/88/36/917878836.db2.gz RUCGFJFAMJVDIU-IAQYHMDHSA-N 2 2 377.838 3.747 20 0 GHADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@@H]1CC[NH3+] ZINC000652353577 917878854 /nfs/dbraw/zinc/87/88/54/917878854.db2.gz RUCGFJFAMJVDIU-IAQYHMDHSA-N 2 2 377.838 3.747 20 0 GHADLP CC(C)C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)C1 ZINC001191344296 917917119 /nfs/dbraw/zinc/91/71/19/917917119.db2.gz WQRCZCGIJJFXJC-QFIPXVFZSA-N 2 2 385.596 3.822 20 0 GHADLP CC(C)C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)C1 ZINC001191344296 917917126 /nfs/dbraw/zinc/91/71/26/917917126.db2.gz WQRCZCGIJJFXJC-QFIPXVFZSA-N 2 2 385.596 3.822 20 0 GHADLP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000652871164 918044563 /nfs/dbraw/zinc/04/45/63/918044563.db2.gz AJRMMLCISWCENY-UHFFFAOYSA-N 2 2 393.516 3.708 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654023540 918704522 /nfs/dbraw/zinc/70/45/22/918704522.db2.gz YZABJZLHIAYBIQ-LEWJYISDSA-N 2 2 391.519 3.740 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654023540 918704534 /nfs/dbraw/zinc/70/45/34/918704534.db2.gz YZABJZLHIAYBIQ-LEWJYISDSA-N 2 2 391.519 3.740 20 0 GHADLP CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000298556423 920662555 /nfs/dbraw/zinc/66/25/55/920662555.db2.gz VJYUOWKLZQDKKU-QFIPXVFZSA-N 2 2 384.568 3.610 20 0 GHADLP C[C@@H]([NH2+]CC1(OCCO)CCC(C(F)F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903263229 922890049 /nfs/dbraw/zinc/89/00/49/922890049.db2.gz LRZGSOZEGQOTGB-SRWJYRBRSA-N 2 2 393.478 3.726 20 0 GHADLP Cc1c2ccccc2oc1[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369019623 923059900 /nfs/dbraw/zinc/05/99/00/923059900.db2.gz YYAUNUMXOHCEGE-MJGOQNOKSA-N 2 2 398.551 3.612 20 0 GHADLP Cc1c2ccccc2oc1[C@@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369019623 923059926 /nfs/dbraw/zinc/05/99/26/923059926.db2.gz YYAUNUMXOHCEGE-MJGOQNOKSA-N 2 2 398.551 3.612 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1cccc(C[NH+]3CCCC3)c1)C2 ZINC000369563614 923428782 /nfs/dbraw/zinc/42/87/82/923428782.db2.gz CSSLKNZJQPTXSA-IBGZPJMESA-N 2 2 380.536 3.550 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1cccc(C[NH+]3CCCC3)c1)CC2 ZINC000369563614 923428788 /nfs/dbraw/zinc/42/87/88/923428788.db2.gz CSSLKNZJQPTXSA-IBGZPJMESA-N 2 2 380.536 3.550 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC000370625232 924213309 /nfs/dbraw/zinc/21/33/09/924213309.db2.gz WQIRCLCDKOPLSM-FDDCHVKYSA-N 2 2 382.527 3.690 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC000370625232 924213319 /nfs/dbraw/zinc/21/33/19/924213319.db2.gz WQIRCLCDKOPLSM-FDDCHVKYSA-N 2 2 382.527 3.690 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC000370625235 924213372 /nfs/dbraw/zinc/21/33/72/924213372.db2.gz WQIRCLCDKOPLSM-WZONZLPQSA-N 2 2 382.527 3.690 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC000370625235 924213397 /nfs/dbraw/zinc/21/33/97/924213397.db2.gz WQIRCLCDKOPLSM-WZONZLPQSA-N 2 2 382.527 3.690 20 0 GHADLP Cc1nn(-c2ccccc2)cc1CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000370643903 924226794 /nfs/dbraw/zinc/22/67/94/924226794.db2.gz CLSAEFDTQMEUFM-UHFFFAOYSA-N 2 2 375.520 3.767 20 0 GHADLP Cc1ccc2ncc(C[NH+]3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)n2c1 ZINC001137308905 924461114 /nfs/dbraw/zinc/46/11/14/924461114.db2.gz LZLXYKOXQHMITP-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccc2ncc(C[NH+]3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)n2c1 ZINC001137308905 924461118 /nfs/dbraw/zinc/46/11/18/924461118.db2.gz LZLXYKOXQHMITP-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccc2ncc(C[N@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@H]4C3)n2c1 ZINC001137308905 924461123 /nfs/dbraw/zinc/46/11/23/924461123.db2.gz LZLXYKOXQHMITP-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccc2ncc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@H]4C3)n2c1 ZINC001137308905 924461126 /nfs/dbraw/zinc/46/11/26/924461126.db2.gz LZLXYKOXQHMITP-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000677875134 924533019 /nfs/dbraw/zinc/53/30/19/924533019.db2.gz DNOPZNABHBWNRE-UYAOXDASSA-N 2 2 391.462 3.575 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000677875134 924533023 /nfs/dbraw/zinc/53/30/23/924533023.db2.gz DNOPZNABHBWNRE-UYAOXDASSA-N 2 2 391.462 3.575 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3c[nH]c4ccc(F)cc34)CC2)CC1 ZINC001137335252 924729160 /nfs/dbraw/zinc/72/91/60/924729160.db2.gz LHUPZWBMCYSZDV-UHFFFAOYSA-N 2 2 387.499 3.547 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000680215978 925397078 /nfs/dbraw/zinc/39/70/78/925397078.db2.gz SJMIESUGIJGCJD-SESVDKBCSA-N 2 2 389.503 3.757 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680215978 925397089 /nfs/dbraw/zinc/39/70/89/925397089.db2.gz SJMIESUGIJGCJD-SESVDKBCSA-N 2 2 389.503 3.757 20 0 GHADLP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000410282575 925497004 /nfs/dbraw/zinc/49/70/04/925497004.db2.gz OXENCTRMJLMRDO-TZIWHRDSSA-N 2 2 380.536 3.618 20 0 GHADLP CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000410282575 925497011 /nfs/dbraw/zinc/49/70/11/925497011.db2.gz OXENCTRMJLMRDO-TZIWHRDSSA-N 2 2 380.536 3.618 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000410353623 925560906 /nfs/dbraw/zinc/56/09/06/925560906.db2.gz STADCBRSEAUSEN-LJQANCHMSA-N 2 2 395.551 3.615 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000410353623 925560916 /nfs/dbraw/zinc/56/09/16/925560916.db2.gz STADCBRSEAUSEN-LJQANCHMSA-N 2 2 395.551 3.615 20 0 GHADLP CN(C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681999374 925978741 /nfs/dbraw/zinc/97/87/41/925978741.db2.gz YBTWXLRZXFTLRO-ZVDOUQERSA-N 2 2 392.632 3.791 20 0 GHADLP CN(C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681999374 925978748 /nfs/dbraw/zinc/97/87/48/925978748.db2.gz YBTWXLRZXFTLRO-ZVDOUQERSA-N 2 2 392.632 3.791 20 0 GHADLP COCCn1cc2c(n1)[C@@H]([NH2+][C@H](C)c1ccc(-n3cc[nH+]c3C)cc1)CCC2 ZINC000373381055 926069782 /nfs/dbraw/zinc/06/97/82/926069782.db2.gz AIGOPKRIQNEICL-IERDGZPVSA-N 2 2 379.508 3.752 20 0 GHADLP CCCc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1Cl ZINC000682639137 926190263 /nfs/dbraw/zinc/19/02/63/926190263.db2.gz DFZGQYYBTQLDSP-IBGZPJMESA-N 2 2 377.960 3.533 20 0 GHADLP CCCc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1Cl ZINC000682639137 926190267 /nfs/dbraw/zinc/19/02/67/926190267.db2.gz DFZGQYYBTQLDSP-IBGZPJMESA-N 2 2 377.960 3.533 20 0 GHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411311393 926296968 /nfs/dbraw/zinc/29/69/68/926296968.db2.gz QQQUEWVCAHMPBC-QTEQDKRBSA-N 2 2 397.588 3.902 20 0 GHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411311393 926296972 /nfs/dbraw/zinc/29/69/72/926296972.db2.gz QQQUEWVCAHMPBC-QTEQDKRBSA-N 2 2 397.588 3.902 20 0 GHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411311393 926296982 /nfs/dbraw/zinc/29/69/82/926296982.db2.gz QQQUEWVCAHMPBC-QTEQDKRBSA-N 2 2 397.588 3.902 20 0 GHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411311393 926296989 /nfs/dbraw/zinc/29/69/89/926296989.db2.gz QQQUEWVCAHMPBC-QTEQDKRBSA-N 2 2 397.588 3.902 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411421513 926382689 /nfs/dbraw/zinc/38/26/89/926382689.db2.gz KTTJUCPIFFXHKV-OAQYLSRUSA-N 2 2 382.533 3.562 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411421513 926382696 /nfs/dbraw/zinc/38/26/96/926382696.db2.gz KTTJUCPIFFXHKV-OAQYLSRUSA-N 2 2 382.533 3.562 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000411486925 926445556 /nfs/dbraw/zinc/44/55/56/926445556.db2.gz UVWSVBKPERGOEI-UHFFFAOYSA-N 2 2 384.351 3.561 20 0 GHADLP O=C(CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1)Nc1cc(F)cc(F)c1 ZINC000411497830 926467169 /nfs/dbraw/zinc/46/71/69/926467169.db2.gz ALTBKLCTRVPPPM-UHFFFAOYSA-N 2 2 376.451 3.682 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412010787 927006770 /nfs/dbraw/zinc/00/67/70/927006770.db2.gz MKDGXTPTBUHOIF-QHCPKHFHSA-N 2 2 391.515 3.801 20 0 GHADLP CC(C)Cc1c[nH]c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000412207027 927208582 /nfs/dbraw/zinc/20/85/82/927208582.db2.gz BBLYCEROYZXNJJ-YADHBBJMSA-N 2 2 388.600 3.622 20 0 GHADLP CC(C)Cc1c[nH]c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000412207027 927208593 /nfs/dbraw/zinc/20/85/93/927208593.db2.gz BBLYCEROYZXNJJ-YADHBBJMSA-N 2 2 388.600 3.622 20 0 GHADLP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1c1cccc(Cl)c1 ZINC000749882311 927328407 /nfs/dbraw/zinc/32/84/07/927328407.db2.gz JWPPEGWRDMGHPI-FQEVSTJZSA-N 2 2 375.944 3.832 20 0 GHADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000544259697 928989616 /nfs/dbraw/zinc/98/96/16/928989616.db2.gz NHHDICLXLKZQDC-AVRDEDQJSA-N 2 2 392.547 3.796 20 0 GHADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000544259697 928989624 /nfs/dbraw/zinc/98/96/24/928989624.db2.gz NHHDICLXLKZQDC-AVRDEDQJSA-N 2 2 392.547 3.796 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1nc(C(F)(F)F)cs1 ZINC000467636179 929261464 /nfs/dbraw/zinc/26/14/64/929261464.db2.gz OSWKKRNJJVHTLV-DOMZBBRYSA-N 2 2 385.455 3.579 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1nc(C(F)(F)F)cs1 ZINC000467636179 929261474 /nfs/dbraw/zinc/26/14/74/929261474.db2.gz OSWKKRNJJVHTLV-DOMZBBRYSA-N 2 2 385.455 3.579 20 0 GHADLP C[C@H](CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCCC1 ZINC000467643430 929265923 /nfs/dbraw/zinc/26/59/23/929265923.db2.gz JJMFYGUJQBRGHE-JRGCBEDISA-N 2 2 379.976 3.566 20 0 GHADLP C[C@H](CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCCC1 ZINC000467643430 929265936 /nfs/dbraw/zinc/26/59/36/929265936.db2.gz JJMFYGUJQBRGHE-JRGCBEDISA-N 2 2 379.976 3.566 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000469763481 930145723 /nfs/dbraw/zinc/14/57/23/930145723.db2.gz JXKRXJRAXZXTEU-HRAATJIYSA-N 2 2 378.451 3.858 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)CC1 ZINC000546619385 930300089 /nfs/dbraw/zinc/30/00/89/930300089.db2.gz KVDHELGHMCJAKG-IBGZPJMESA-N 2 2 396.478 3.673 20 0 GHADLP C[N@H+](Cc1cccc(Br)c1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000470017481 930319070 /nfs/dbraw/zinc/31/90/70/930319070.db2.gz IZEVDIDXKXHPBW-FUNVUKJBSA-N 2 2 375.257 3.765 20 0 GHADLP C[N@@H+](Cc1cccc(Br)c1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000470017481 930319080 /nfs/dbraw/zinc/31/90/80/930319080.db2.gz IZEVDIDXKXHPBW-FUNVUKJBSA-N 2 2 375.257 3.765 20 0 GHADLP C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H]1c1ccccc1 ZINC000471021454 931101006 /nfs/dbraw/zinc/10/10/06/931101006.db2.gz JKQMIEWLDSBNAO-JPYJTQIMSA-N 2 2 395.572 3.867 20 0 GHADLP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H]1c1ccccc1 ZINC000471021454 931101009 /nfs/dbraw/zinc/10/10/09/931101009.db2.gz JKQMIEWLDSBNAO-JPYJTQIMSA-N 2 2 395.572 3.867 20 0 GHADLP c1ccc([C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C2CCOCC2)cc1 ZINC000782756086 931325952 /nfs/dbraw/zinc/32/59/52/931325952.db2.gz GGQPGYFHKOFWLJ-VWLOTQADSA-N 2 2 393.575 3.956 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cn2c(n1)CCCC2 ZINC000924611630 931444817 /nfs/dbraw/zinc/44/48/17/931444817.db2.gz ZFBUMRCAVZHXHE-CEXWTWQISA-N 2 2 382.552 3.679 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cn2c(n1)CCCC2 ZINC000924611630 931444824 /nfs/dbraw/zinc/44/48/24/931444824.db2.gz ZFBUMRCAVZHXHE-CEXWTWQISA-N 2 2 382.552 3.679 20 0 GHADLP C[C@]1(c2ccccc2)CC(=O)N(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000777538246 931568591 /nfs/dbraw/zinc/56/85/91/931568591.db2.gz NBDXLMGSYBMCCI-QHCPKHFHSA-N 2 2 380.536 3.523 20 0 GHADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+](Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000783971118 931735166 /nfs/dbraw/zinc/73/51/66/931735166.db2.gz HGMQTVWLFMYBRV-GOSISDBHSA-N 2 2 384.499 3.668 20 0 GHADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000783971118 931735173 /nfs/dbraw/zinc/73/51/73/931735173.db2.gz HGMQTVWLFMYBRV-GOSISDBHSA-N 2 2 384.499 3.668 20 0 GHADLP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000558164756 931866959 /nfs/dbraw/zinc/86/69/59/931866959.db2.gz GCOQMEMUONMDLC-HSZRJFAPSA-N 2 2 394.494 3.825 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](CCC[NH3+])c3ccccc3)CC2)cc1 ZINC000925687461 931878298 /nfs/dbraw/zinc/87/82/98/931878298.db2.gz BNBHSDQKZQQMHT-DEOSSOPVSA-N 3 2 394.563 3.679 20 0 GHADLP COc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(F)cn1 ZINC000558222937 931890389 /nfs/dbraw/zinc/89/03/89/931890389.db2.gz VHKFFIRQYLHJHR-ZACQAIPSSA-N 2 2 387.499 3.689 20 0 GHADLP c1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2C[NH2+]CC4(CCOCC4)C2)CCC3)cc1 ZINC000925794633 931905547 /nfs/dbraw/zinc/90/55/47/931905547.db2.gz HPNLNQZXEPLWFQ-ROUUACIJSA-N 2 2 383.561 3.936 20 0 GHADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)CC1 ZINC000925914223 931957245 /nfs/dbraw/zinc/95/72/45/931957245.db2.gz UIFMZPPNTLQVBX-UHFFFAOYSA-N 2 2 395.532 3.508 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(Br)n1 ZINC000925936263 931966923 /nfs/dbraw/zinc/96/69/23/931966923.db2.gz LIQZYTCPWZZLGJ-HIFRSBDPSA-N 2 2 390.329 3.553 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C3CC4(C3)COC(C)(C)C4)CC2)cc1 ZINC000926529911 932218239 /nfs/dbraw/zinc/21/82/39/932218239.db2.gz ZNLHUUOBGXOVIN-UHFFFAOYSA-N 2 2 385.552 3.547 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000798271736 932584740 /nfs/dbraw/zinc/58/47/40/932584740.db2.gz JHWHWBZJXYPHNB-INIZCTEOSA-N 2 2 393.494 3.782 20 0 GHADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000559320144 932597674 /nfs/dbraw/zinc/59/76/74/932597674.db2.gz JBDKAXWORIJYOX-VGSWGCGISA-N 2 2 392.478 3.853 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000798935053 932823025 /nfs/dbraw/zinc/82/30/25/932823025.db2.gz KKXDMVUPTQSUED-OEMFJLHTSA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000798935053 932823031 /nfs/dbraw/zinc/82/30/31/932823031.db2.gz KKXDMVUPTQSUED-OEMFJLHTSA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000798935053 932823033 /nfs/dbraw/zinc/82/30/33/932823033.db2.gz KKXDMVUPTQSUED-OEMFJLHTSA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000798935053 932823036 /nfs/dbraw/zinc/82/30/36/932823036.db2.gz KKXDMVUPTQSUED-OEMFJLHTSA-N 3 2 387.612 3.625 20 0 GHADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000559843333 932901934 /nfs/dbraw/zinc/90/19/34/932901934.db2.gz KHPICMGEXRFOET-UCNVEGJOSA-N 2 2 386.561 3.966 20 0 GHADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000559843333 932901939 /nfs/dbraw/zinc/90/19/39/932901939.db2.gz KHPICMGEXRFOET-UCNVEGJOSA-N 2 2 386.561 3.966 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC001116304791 933469041 /nfs/dbraw/zinc/46/90/41/933469041.db2.gz SFDOQLYUIYJTJR-FCHUYYIVSA-N 2 2 394.563 3.564 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC001116304791 933469047 /nfs/dbraw/zinc/46/90/47/933469047.db2.gz SFDOQLYUIYJTJR-FCHUYYIVSA-N 2 2 394.563 3.564 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC001116402157 933537404 /nfs/dbraw/zinc/53/74/04/933537404.db2.gz YGQWQAQMOVYICO-HNNXBMFYSA-N 2 2 378.314 3.516 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCOc2ccc(Br)cc2)C1 ZINC001116402157 933537411 /nfs/dbraw/zinc/53/74/11/933537411.db2.gz YGQWQAQMOVYICO-HNNXBMFYSA-N 2 2 378.314 3.516 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)COc1ccc2ccccc2c1 ZINC000560857342 933623725 /nfs/dbraw/zinc/62/37/25/933623725.db2.gz LPAXPORJEZOFTD-HXUWFJFHSA-N 2 2 391.446 3.694 20 0 GHADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000930555807 934099607 /nfs/dbraw/zinc/09/96/07/934099607.db2.gz QPJNSSXKEGQALC-LJQANCHMSA-N 2 2 391.519 3.740 20 0 GHADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000930555807 934099618 /nfs/dbraw/zinc/09/96/18/934099618.db2.gz QPJNSSXKEGQALC-LJQANCHMSA-N 2 2 391.519 3.740 20 0 GHADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1OC ZINC000561541308 934255696 /nfs/dbraw/zinc/25/56/96/934255696.db2.gz FOOFTZWCUUNWMY-XLIONFOSSA-N 2 2 384.520 3.855 20 0 GHADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1OC ZINC000561541308 934255699 /nfs/dbraw/zinc/25/56/99/934255699.db2.gz FOOFTZWCUUNWMY-XLIONFOSSA-N 2 2 384.520 3.855 20 0 GHADLP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001119439093 934349310 /nfs/dbraw/zinc/34/93/10/934349310.db2.gz QGKYGGZSXXTBSR-DZFGPLHGSA-N 2 2 389.503 3.647 20 0 GHADLP C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001119439093 934349321 /nfs/dbraw/zinc/34/93/21/934349321.db2.gz QGKYGGZSXXTBSR-DZFGPLHGSA-N 2 2 389.503 3.647 20 0 GHADLP C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001119439093 934349331 /nfs/dbraw/zinc/34/93/31/934349331.db2.gz QGKYGGZSXXTBSR-DZFGPLHGSA-N 2 2 389.503 3.647 20 0 GHADLP C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001119439093 934349339 /nfs/dbraw/zinc/34/93/39/934349339.db2.gz QGKYGGZSXXTBSR-DZFGPLHGSA-N 2 2 389.503 3.647 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430407 934552875 /nfs/dbraw/zinc/55/28/75/934552875.db2.gz BEHOTYWHXMAESE-FRRDWIJNSA-N 2 2 389.849 3.569 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430407 934552883 /nfs/dbraw/zinc/55/28/83/934552883.db2.gz BEHOTYWHXMAESE-FRRDWIJNSA-N 2 2 389.849 3.569 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931430407 934552889 /nfs/dbraw/zinc/55/28/89/934552889.db2.gz BEHOTYWHXMAESE-FRRDWIJNSA-N 2 2 389.849 3.569 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931430407 934552896 /nfs/dbraw/zinc/55/28/96/934552896.db2.gz BEHOTYWHXMAESE-FRRDWIJNSA-N 2 2 389.849 3.569 20 0 GHADLP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000562206052 934758739 /nfs/dbraw/zinc/75/87/39/934758739.db2.gz LEVZQENIZYEQAE-POLXVDLBSA-N 2 2 393.522 3.793 20 0 GHADLP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000562206052 934758743 /nfs/dbraw/zinc/75/87/43/934758743.db2.gz LEVZQENIZYEQAE-POLXVDLBSA-N 2 2 393.522 3.793 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)[C@H]2CCCCC23CC[NH2+]CC3)C1 ZINC001122455606 934874355 /nfs/dbraw/zinc/87/43/55/934874355.db2.gz BIUMVRSOPJKXPE-RTBURBONSA-N 2 2 386.584 3.904 20 0 GHADLP O=C1O[C@H](C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CN1C1CCCCC1 ZINC000828461883 935637286 /nfs/dbraw/zinc/63/72/86/935637286.db2.gz HILHEEQNEWSUMC-FXAWDEMLSA-N 2 2 386.540 3.552 20 0 GHADLP O=C1O[C@H](C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CN1C1CCCCC1 ZINC000828461883 935637289 /nfs/dbraw/zinc/63/72/89/935637289.db2.gz HILHEEQNEWSUMC-FXAWDEMLSA-N 2 2 386.540 3.552 20 0 GHADLP C[N@H+](Cc1cc(Br)cc(Br)c1)C1CC[NH+](C)CC1 ZINC001137841495 935818730 /nfs/dbraw/zinc/81/87/30/935818730.db2.gz GQGPAGMALYSVAT-UHFFFAOYSA-N 2 2 376.136 3.738 20 0 GHADLP C[N@@H+](Cc1cc(Br)cc(Br)c1)C1CC[NH+](C)CC1 ZINC001137841495 935818733 /nfs/dbraw/zinc/81/87/33/935818733.db2.gz GQGPAGMALYSVAT-UHFFFAOYSA-N 2 2 376.136 3.738 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4c(C)cccc4C)CC[C@@H]3C2)cs1 ZINC001137850384 935824564 /nfs/dbraw/zinc/82/45/64/935824564.db2.gz FUAAXASFDDWESN-DENIHFKCSA-N 2 2 385.577 3.791 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4c(C)cccc4C)CC[C@@H]3C2)cs1 ZINC001137850384 935824566 /nfs/dbraw/zinc/82/45/66/935824566.db2.gz FUAAXASFDDWESN-DENIHFKCSA-N 2 2 385.577 3.791 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4c(C)cccc4C)CC[C@@H]3C2)cs1 ZINC001137850384 935824568 /nfs/dbraw/zinc/82/45/68/935824568.db2.gz FUAAXASFDDWESN-DENIHFKCSA-N 2 2 385.577 3.791 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4c(C)cccc4C)CC[C@@H]3C2)cs1 ZINC001137850384 935824572 /nfs/dbraw/zinc/82/45/72/935824572.db2.gz FUAAXASFDDWESN-DENIHFKCSA-N 2 2 385.577 3.791 20 0 GHADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000467975083 1015087990 /nfs/dbraw/zinc/08/79/90/1015087990.db2.gz NUZKPRDKXMMQCW-QHCPKHFHSA-N 2 2 377.532 3.928 20 0 GHADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000467975083 1015087997 /nfs/dbraw/zinc/08/79/97/1015087997.db2.gz NUZKPRDKXMMQCW-QHCPKHFHSA-N 2 2 377.532 3.928 20 0 GHADLP [NH3+][C@H](C(=O)NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1)c1ccsc1 ZINC001221112026 1032292611 /nfs/dbraw/zinc/29/26/11/1032292611.db2.gz FUMGYAFOVUUIRY-KRWDZBQOSA-N 2 2 397.466 3.548 20 0 GHADLP O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(-n2c[nH+]cc2C2CC[NH2+]CC2)c1 ZINC001155058340 1032398041 /nfs/dbraw/zinc/39/80/41/1032398041.db2.gz XUYMEUSDMBVAQM-UHFFFAOYSA-N 2 2 399.857 3.779 20 0 GHADLP CCOC(=O)Cc1cc[nH+]c(N[C@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)c1 ZINC001155441725 1032543308 /nfs/dbraw/zinc/54/33/08/1032543308.db2.gz IIMVWLPJUJGBCG-FQEVSTJZSA-N 2 2 379.504 3.674 20 0 GHADLP CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)n1 ZINC000930477086 1017842959 /nfs/dbraw/zinc/84/29/59/1017842959.db2.gz XDKHFPARZLSTMO-UHFFFAOYSA-N 2 2 376.526 3.816 20 0 GHADLP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)sc1-c1ccccc1 ZINC000567364539 1019285541 /nfs/dbraw/zinc/28/55/41/1019285541.db2.gz MURGHBMFEIWJMJ-UHFFFAOYSA-N 2 2 385.577 3.822 20 0 GHADLP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)sc1-c1ccccc1 ZINC000567364539 1019285547 /nfs/dbraw/zinc/28/55/47/1019285547.db2.gz MURGHBMFEIWJMJ-UHFFFAOYSA-N 2 2 385.577 3.822 20 0 GHADLP Brc1cccc2c(N3CCN(c4[nH]cc[nH+]4)CC3)cc(C3CC3)[nH+]c12 ZINC000572690421 1019795136 /nfs/dbraw/zinc/79/51/36/1019795136.db2.gz KIGIGAZLXPDVRL-UHFFFAOYSA-N 2 2 398.308 3.924 20 0 GHADLP FC(F)(F)Oc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC001204433387 1032867806 /nfs/dbraw/zinc/86/78/06/1032867806.db2.gz WJEKKQXUTIIUAK-IAGOWNOFSA-N 2 2 377.410 3.544 20 0 GHADLP Cc1cnccc1CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000578763904 1020359964 /nfs/dbraw/zinc/35/99/64/1020359964.db2.gz QFCXULCERZRNJL-UHFFFAOYSA-N 2 2 389.297 3.687 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2Cc3ccccc3[C@H]2C)CC1 ZINC000579634898 1020428592 /nfs/dbraw/zinc/42/85/92/1020428592.db2.gz VZAZCCPDVGKJQW-LJQANCHMSA-N 2 2 377.532 3.652 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2Cc3ccccc3[C@H]2C)CC1 ZINC000579634898 1020428599 /nfs/dbraw/zinc/42/85/99/1020428599.db2.gz VZAZCCPDVGKJQW-LJQANCHMSA-N 2 2 377.532 3.652 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(F)c(C(F)(F)F)c4)C[C@H]3C2)cn1 ZINC001204482957 1032918188 /nfs/dbraw/zinc/91/81/88/1032918188.db2.gz DAQQJNUCXPVEBZ-IAGOWNOFSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(F)c(C(F)(F)F)c4)C[C@H]3C2)cn1 ZINC001204482957 1032918194 /nfs/dbraw/zinc/91/81/94/1032918194.db2.gz DAQQJNUCXPVEBZ-IAGOWNOFSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(F)c(C(F)(F)F)c4)C[C@H]3C2)cn1 ZINC001204482957 1032918199 /nfs/dbraw/zinc/91/81/99/1032918199.db2.gz DAQQJNUCXPVEBZ-IAGOWNOFSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(F)c(C(F)(F)F)c4)C[C@H]3C2)cn1 ZINC001204482957 1032918202 /nfs/dbraw/zinc/91/82/02/1032918202.db2.gz DAQQJNUCXPVEBZ-IAGOWNOFSA-N 2 2 396.432 3.532 20 0 GHADLP Cc1cc(C)cc(C[NH+]2CCC([N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC001204527453 1032952259 /nfs/dbraw/zinc/95/22/59/1032952259.db2.gz URXZKSIWNHOBSJ-HXUWFJFHSA-N 2 2 387.568 3.867 20 0 GHADLP Cc1cc(C)cc(C[NH+]2CCC([N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC001204527453 1032952261 /nfs/dbraw/zinc/95/22/61/1032952261.db2.gz URXZKSIWNHOBSJ-HXUWFJFHSA-N 2 2 387.568 3.867 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834502063 1021227612 /nfs/dbraw/zinc/22/76/12/1021227612.db2.gz MPHDPWRFUBNUNK-YLJYHZDGSA-N 2 2 384.524 3.809 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)CC2)nc(C)[nH+]1 ZINC001140412095 1021606070 /nfs/dbraw/zinc/60/60/70/1021606070.db2.gz FUGIKKUGGFQTOU-UHFFFAOYSA-N 2 2 394.910 3.526 20 0 GHADLP Oc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1OC(F)F ZINC001140630033 1022111502 /nfs/dbraw/zinc/11/15/02/1022111502.db2.gz FIFYAKAQTDKWPS-RBUKOAKNSA-N 2 2 388.458 3.948 20 0 GHADLP Oc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1OC(F)F ZINC001140630033 1022111509 /nfs/dbraw/zinc/11/15/09/1022111509.db2.gz FIFYAKAQTDKWPS-RBUKOAKNSA-N 2 2 388.458 3.948 20 0 GHADLP Oc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1OC(F)F ZINC001140630033 1022111515 /nfs/dbraw/zinc/11/15/15/1022111515.db2.gz FIFYAKAQTDKWPS-RBUKOAKNSA-N 2 2 388.458 3.948 20 0 GHADLP Oc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1OC(F)F ZINC001140630033 1022111520 /nfs/dbraw/zinc/11/15/20/1022111520.db2.gz FIFYAKAQTDKWPS-RBUKOAKNSA-N 2 2 388.458 3.948 20 0 GHADLP Oc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1OC(F)F ZINC001140630034 1022111547 /nfs/dbraw/zinc/11/15/47/1022111547.db2.gz FIFYAKAQTDKWPS-RTBURBONSA-N 2 2 388.458 3.948 20 0 GHADLP Oc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1OC(F)F ZINC001140630034 1022111554 /nfs/dbraw/zinc/11/15/54/1022111554.db2.gz FIFYAKAQTDKWPS-RTBURBONSA-N 2 2 388.458 3.948 20 0 GHADLP Oc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1OC(F)F ZINC001140630034 1022111562 /nfs/dbraw/zinc/11/15/62/1022111562.db2.gz FIFYAKAQTDKWPS-RTBURBONSA-N 2 2 388.458 3.948 20 0 GHADLP Oc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1OC(F)F ZINC001140630034 1022111568 /nfs/dbraw/zinc/11/15/68/1022111568.db2.gz FIFYAKAQTDKWPS-RTBURBONSA-N 2 2 388.458 3.948 20 0 GHADLP CCOC(=O)c1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)[nH]1 ZINC001140688156 1022262994 /nfs/dbraw/zinc/26/29/94/1022262994.db2.gz JHGYMXXEMSSRMS-ONTIZHBOSA-N 2 2 381.520 3.802 20 0 GHADLP CCOC(=O)c1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)[nH]1 ZINC001140688156 1022263005 /nfs/dbraw/zinc/26/30/05/1022263005.db2.gz JHGYMXXEMSSRMS-ONTIZHBOSA-N 2 2 381.520 3.802 20 0 GHADLP CCOC(=O)c1ccc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)[nH]1 ZINC001140688156 1022263010 /nfs/dbraw/zinc/26/30/10/1022263010.db2.gz JHGYMXXEMSSRMS-ONTIZHBOSA-N 2 2 381.520 3.802 20 0 GHADLP CCOC(=O)c1ccc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)[nH]1 ZINC001140688156 1022263016 /nfs/dbraw/zinc/26/30/16/1022263016.db2.gz JHGYMXXEMSSRMS-ONTIZHBOSA-N 2 2 381.520 3.802 20 0 GHADLP OC1(c2ccc(Br)cc2)CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140800955 1022568067 /nfs/dbraw/zinc/56/80/67/1022568067.db2.gz BZBVDACTNNAGSI-UHFFFAOYSA-N 2 2 386.293 3.809 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000245874436 1033098065 /nfs/dbraw/zinc/09/80/65/1033098065.db2.gz MNQLIFFLDCBTOL-NTKDMRAZSA-N 2 2 394.563 3.722 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000245874436 1033098079 /nfs/dbraw/zinc/09/80/79/1033098079.db2.gz MNQLIFFLDCBTOL-NTKDMRAZSA-N 2 2 394.563 3.722 20 0 GHADLP COc1ccc(/C=C\C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000755214681 1023132758 /nfs/dbraw/zinc/13/27/58/1023132758.db2.gz VALLTOZUXHBJHO-WIGXSXMGSA-N 2 2 399.579 3.504 20 0 GHADLP COc1ccc(/C=C\C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000755214681 1023132767 /nfs/dbraw/zinc/13/27/67/1023132767.db2.gz VALLTOZUXHBJHO-WIGXSXMGSA-N 2 2 399.579 3.504 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3nc(Cc4cccc(F)c4)oc3=S)C2)CC1 ZINC000755782157 1023376176 /nfs/dbraw/zinc/37/61/76/1023376176.db2.gz YCTCHTPPJVPCDU-QGZVFWFLSA-N 2 2 390.528 3.557 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3nc(Cc4cccc(F)c4)oc3=S)C2)CC1 ZINC000755782157 1023376185 /nfs/dbraw/zinc/37/61/85/1023376185.db2.gz YCTCHTPPJVPCDU-QGZVFWFLSA-N 2 2 390.528 3.557 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cn2ncc3ccc(OCc4ccccc4)cc32)C1 ZINC000755790693 1023381272 /nfs/dbraw/zinc/38/12/72/1023381272.db2.gz QBVIFXHJMGNGHD-HXUWFJFHSA-N 2 2 387.487 3.796 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cn2ncc3ccc(OCc4ccccc4)cc32)C1 ZINC000755790693 1023381282 /nfs/dbraw/zinc/38/12/82/1023381282.db2.gz QBVIFXHJMGNGHD-HXUWFJFHSA-N 2 2 387.487 3.796 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccn3ccnc3c1)CC2 ZINC001141049163 1023386767 /nfs/dbraw/zinc/38/67/67/1023386767.db2.gz ZTNFFKRMFKMILF-UHFFFAOYSA-N 2 2 379.508 3.570 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccn3ccnc3c1)CC2 ZINC001141049163 1023386773 /nfs/dbraw/zinc/38/67/73/1023386773.db2.gz ZTNFFKRMFKMILF-UHFFFAOYSA-N 2 2 379.508 3.570 20 0 GHADLP C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000755865587 1023407006 /nfs/dbraw/zinc/40/70/06/1023407006.db2.gz AHUHALMJRBHMHM-NQIIRXRSSA-N 2 2 375.472 3.940 20 0 GHADLP C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000755865587 1023407012 /nfs/dbraw/zinc/40/70/12/1023407012.db2.gz AHUHALMJRBHMHM-NQIIRXRSSA-N 2 2 375.472 3.940 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc3c2cnn3[C@@H]2CCCCO2)C1 ZINC001204898651 1033153366 /nfs/dbraw/zinc/15/33/66/1033153366.db2.gz YXKIQRJDOGFROO-JPYJTQIMSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc3c2cnn3[C@@H]2CCCCO2)C1 ZINC001204898651 1033153383 /nfs/dbraw/zinc/15/33/83/1033153383.db2.gz YXKIQRJDOGFROO-JPYJTQIMSA-N 2 2 376.504 3.935 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1=S ZINC000756885974 1023847341 /nfs/dbraw/zinc/84/73/41/1023847341.db2.gz LAINSRIYGYYILA-FGTMMUONSA-N 2 2 395.617 3.685 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1=S ZINC000756885974 1023847347 /nfs/dbraw/zinc/84/73/47/1023847347.db2.gz LAINSRIYGYYILA-FGTMMUONSA-N 2 2 395.617 3.685 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1=S ZINC000756885979 1023847463 /nfs/dbraw/zinc/84/74/63/1023847463.db2.gz LAINSRIYGYYILA-SQNIBIBYSA-N 2 2 395.617 3.685 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1=S ZINC000756885979 1023847466 /nfs/dbraw/zinc/84/74/66/1023847466.db2.gz LAINSRIYGYYILA-SQNIBIBYSA-N 2 2 395.617 3.685 20 0 GHADLP C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000837091264 1024014631 /nfs/dbraw/zinc/01/46/31/1024014631.db2.gz NLLXMTAVCZZAEP-UHFFFAOYSA-N 2 2 384.867 3.713 20 0 GHADLP Cn1nc(C(F)(F)F)cc1-c1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)s1 ZINC001138276163 1024528295 /nfs/dbraw/zinc/52/82/95/1024528295.db2.gz AAPWOBRWSRDFKI-UHFFFAOYSA-N 2 2 384.471 3.838 20 0 GHADLP Cn1c2ccccc2nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138379380 1024746211 /nfs/dbraw/zinc/74/62/11/1024746211.db2.gz PKPMCBYYBUSNFP-CZTZKLFOSA-N 2 2 389.547 3.701 20 0 GHADLP Cn1c2ccccc2nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138379380 1024746224 /nfs/dbraw/zinc/74/62/24/1024746224.db2.gz PKPMCBYYBUSNFP-CZTZKLFOSA-N 2 2 389.547 3.701 20 0 GHADLP Cn1c2ccccc2nc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138379380 1024746239 /nfs/dbraw/zinc/74/62/39/1024746239.db2.gz PKPMCBYYBUSNFP-CZTZKLFOSA-N 2 2 389.547 3.701 20 0 GHADLP Cn1c2ccccc2nc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138379380 1024746262 /nfs/dbraw/zinc/74/62/62/1024746262.db2.gz PKPMCBYYBUSNFP-CZTZKLFOSA-N 2 2 389.547 3.701 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)c(OC)c(C)c3)CC2)C1 ZINC001138428960 1024826016 /nfs/dbraw/zinc/82/60/16/1024826016.db2.gz PSTHONSOCCSFJB-FQEVSTJZSA-N 2 2 388.552 3.552 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)c(OC)c(C)c3)CC2)C1 ZINC001138428960 1024826031 /nfs/dbraw/zinc/82/60/31/1024826031.db2.gz PSTHONSOCCSFJB-FQEVSTJZSA-N 2 2 388.552 3.552 20 0 GHADLP COc1ccc2[nH]cc(C[NH+]3CCC4(CCC[N@@H+]4Cc4ccn(C)n4)CC3)c2c1 ZINC001138508876 1024946269 /nfs/dbraw/zinc/94/62/69/1024946269.db2.gz AXICDTIJCWYCAB-UHFFFAOYSA-N 2 2 393.535 3.541 20 0 GHADLP COc1ccc2[nH]cc(C[NH+]3CCC4(CCC[N@H+]4Cc4ccn(C)n4)CC3)c2c1 ZINC001138508876 1024946275 /nfs/dbraw/zinc/94/62/75/1024946275.db2.gz AXICDTIJCWYCAB-UHFFFAOYSA-N 2 2 393.535 3.541 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1 ZINC001138544063 1024987035 /nfs/dbraw/zinc/98/70/35/1024987035.db2.gz BKZJJPOGRTZIJW-WOJBJXKFSA-N 2 2 382.508 3.764 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1 ZINC001138544063 1024987039 /nfs/dbraw/zinc/98/70/39/1024987039.db2.gz BKZJJPOGRTZIJW-WOJBJXKFSA-N 2 2 382.508 3.764 20 0 GHADLP COc1cccc(CN2CC[NH+](Cc3ccc(-n4cc[nH+]c4C)cc3)CC2)c1 ZINC001138548773 1024995515 /nfs/dbraw/zinc/99/55/15/1024995515.db2.gz KYBMDVGNUFXWIO-UHFFFAOYSA-N 2 2 376.504 3.507 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1OC1CCCC1 ZINC001141519576 1025370993 /nfs/dbraw/zinc/37/09/93/1025370993.db2.gz LCZZVQKDZCYUOX-UHFFFAOYSA-N 2 2 387.524 3.647 20 0 GHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC001141544508 1025451466 /nfs/dbraw/zinc/45/14/66/1025451466.db2.gz QFJQPAQINZUBKN-QFIPXVFZSA-N 2 2 399.966 3.986 20 0 GHADLP Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001138879339 1025512171 /nfs/dbraw/zinc/51/21/71/1025512171.db2.gz NGAYUAJGNCTDFI-QZTJIDSGSA-N 2 2 382.508 3.841 20 0 GHADLP Nc1cc(Cl)[nH+]c(N2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001162055543 1025570608 /nfs/dbraw/zinc/57/06/08/1025570608.db2.gz DWCIFIIFGDZULP-UHFFFAOYSA-N 2 2 384.833 3.876 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cnc4[nH]ccc4c2Cl)CC3)cn1 ZINC001138931790 1025603221 /nfs/dbraw/zinc/60/32/21/1025603221.db2.gz INPUGQQKLXUTRB-UHFFFAOYSA-N 2 2 398.942 3.532 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cnc4[nH]ccc4c2Cl)CC3)cn1 ZINC001138931790 1025603230 /nfs/dbraw/zinc/60/32/30/1025603230.db2.gz INPUGQQKLXUTRB-UHFFFAOYSA-N 2 2 398.942 3.532 20 0 GHADLP COC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001139060321 1025853376 /nfs/dbraw/zinc/85/33/76/1025853376.db2.gz ROOSSHVHVLTLQT-HSZRJFAPSA-N 2 2 394.515 3.643 20 0 GHADLP COC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001139060321 1025853396 /nfs/dbraw/zinc/85/33/96/1025853396.db2.gz ROOSSHVHVLTLQT-HSZRJFAPSA-N 2 2 394.515 3.643 20 0 GHADLP Cc1ccc(O[C@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC001139062369 1025854230 /nfs/dbraw/zinc/85/42/30/1025854230.db2.gz PMMXJKFSYCKJAO-DEOSSOPVSA-N 2 2 380.532 3.871 20 0 GHADLP Cc1ccc(O[C@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC001139062369 1025854240 /nfs/dbraw/zinc/85/42/40/1025854240.db2.gz PMMXJKFSYCKJAO-DEOSSOPVSA-N 2 2 380.532 3.871 20 0 GHADLP CC(C)C[C@H](C(=O)N(C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001162920515 1025967976 /nfs/dbraw/zinc/96/79/76/1025967976.db2.gz LNZAXSVAOZHHST-FCHUYYIVSA-N 2 2 382.552 3.982 20 0 GHADLP CC(C)C[C@H](C(=O)N(C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001162920515 1025967986 /nfs/dbraw/zinc/96/79/86/1025967986.db2.gz LNZAXSVAOZHHST-FCHUYYIVSA-N 2 2 382.552 3.982 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3c[nH]c4cccc(C)c34)CC2)CC1 ZINC001139195076 1026035240 /nfs/dbraw/zinc/03/52/40/1026035240.db2.gz OXCWIRPYHOJXRM-UHFFFAOYSA-N 2 2 383.536 3.716 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(N5CCCCC5)nc4)C[C@H]3C2)cc1 ZINC001139344959 1026210018 /nfs/dbraw/zinc/21/00/18/1026210018.db2.gz VOTRXJRZRHDJOU-DHIUTWEWSA-N 2 2 376.548 3.636 20 0 GHADLP O=C1C[C@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CN1c1ccc(F)cc1 ZINC001139358146 1026231190 /nfs/dbraw/zinc/23/11/90/1026231190.db2.gz IKCFTMDUIYQQCL-QHCPKHFHSA-N 2 2 390.462 3.640 20 0 GHADLP O=C1C[C@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CN1c1ccc(F)cc1 ZINC001139358146 1026231203 /nfs/dbraw/zinc/23/12/03/1026231203.db2.gz IKCFTMDUIYQQCL-QHCPKHFHSA-N 2 2 390.462 3.640 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139360608 1026235330 /nfs/dbraw/zinc/23/53/30/1026235330.db2.gz YLDNDANMWXYYPO-UHFFFAOYSA-N 2 2 382.508 3.705 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139360608 1026235341 /nfs/dbraw/zinc/23/53/41/1026235341.db2.gz YLDNDANMWXYYPO-UHFFFAOYSA-N 2 2 382.508 3.705 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CCN(c4ccc(-c5ncccn5)cc4)CC3)cc2)c[nH+]1 ZINC001139363849 1026240337 /nfs/dbraw/zinc/24/03/37/1026240337.db2.gz LILYYDPBKUTTPK-UHFFFAOYSA-N 2 2 396.498 3.652 20 0 GHADLP Cc1c(C)c(-c2ccc(Cl)cc2)nnc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164210471 1026453049 /nfs/dbraw/zinc/45/30/49/1026453049.db2.gz DNCMWMIJMYKROI-UHFFFAOYSA-N 2 2 387.959 3.852 20 0 GHADLP COc1cc2[nH+]c(N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)ccc2c(OC)c1 ZINC001165268181 1026686515 /nfs/dbraw/zinc/68/65/15/1026686515.db2.gz RTPTVKODVOFZML-GOSISDBHSA-N 2 2 395.425 3.763 20 0 GHADLP Cc1nccn1-c1ccccc1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001140022071 1026807183 /nfs/dbraw/zinc/80/71/83/1026807183.db2.gz YUJKQDBMRUGOJF-QHCPKHFHSA-N 2 2 382.552 3.504 20 0 GHADLP Cc1nccn1-c1ccccc1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001140022071 1026807191 /nfs/dbraw/zinc/80/71/91/1026807191.db2.gz YUJKQDBMRUGOJF-QHCPKHFHSA-N 2 2 382.552 3.504 20 0 GHADLP Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001140022071 1026807199 /nfs/dbraw/zinc/80/71/99/1026807199.db2.gz YUJKQDBMRUGOJF-QHCPKHFHSA-N 2 2 382.552 3.504 20 0 GHADLP Cc1nccn1-c1ccccc1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001140022071 1026807209 /nfs/dbraw/zinc/80/72/09/1026807209.db2.gz YUJKQDBMRUGOJF-QHCPKHFHSA-N 2 2 382.552 3.504 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001140024988 1026811236 /nfs/dbraw/zinc/81/12/36/1026811236.db2.gz JXKKSQRNYMTQIR-ISKFKSNPSA-N 2 2 395.547 3.836 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001140024988 1026811252 /nfs/dbraw/zinc/81/12/52/1026811252.db2.gz JXKKSQRNYMTQIR-ISKFKSNPSA-N 2 2 395.547 3.836 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001140025169 1026812081 /nfs/dbraw/zinc/81/20/81/1026812081.db2.gz NAIZNLPVYJKSKR-YMPZKCBVSA-N 2 2 381.520 3.729 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001140025169 1026812088 /nfs/dbraw/zinc/81/20/88/1026812088.db2.gz NAIZNLPVYJKSKR-YMPZKCBVSA-N 2 2 381.520 3.729 20 0 GHADLP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001209718354 1027114029 /nfs/dbraw/zinc/11/40/29/1027114029.db2.gz MVBIVEWSSMKDKJ-NRFANRHFSA-N 2 2 393.535 3.858 20 0 GHADLP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001209718354 1027114038 /nfs/dbraw/zinc/11/40/38/1027114038.db2.gz MVBIVEWSSMKDKJ-NRFANRHFSA-N 2 2 393.535 3.858 20 0 GHADLP Cc1cc(N)[nH+]cc1Nc1ccccc1C[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001209972632 1027298835 /nfs/dbraw/zinc/29/88/35/1027298835.db2.gz NTBPQJYUIZXJBZ-UHFFFAOYSA-N 2 2 397.523 3.769 20 0 GHADLP Brc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001203764595 1027585776 /nfs/dbraw/zinc/58/57/76/1027585776.db2.gz ANYDGIMMLUFGBW-MOPGFXCFSA-N 2 2 386.337 3.798 20 0 GHADLP Brc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001203764595 1027585782 /nfs/dbraw/zinc/58/57/82/1027585782.db2.gz ANYDGIMMLUFGBW-MOPGFXCFSA-N 2 2 386.337 3.798 20 0 GHADLP Brc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001203764595 1027585785 /nfs/dbraw/zinc/58/57/85/1027585785.db2.gz ANYDGIMMLUFGBW-MOPGFXCFSA-N 2 2 386.337 3.798 20 0 GHADLP Brc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001203764595 1027585789 /nfs/dbraw/zinc/58/57/89/1027585789.db2.gz ANYDGIMMLUFGBW-MOPGFXCFSA-N 2 2 386.337 3.798 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)cc1 ZINC001203924463 1027716504 /nfs/dbraw/zinc/71/65/04/1027716504.db2.gz NTLOFKBHBGWLRM-UHFFFAOYSA-N 2 2 396.535 3.880 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)cc1 ZINC001203924463 1027716518 /nfs/dbraw/zinc/71/65/18/1027716518.db2.gz NTLOFKBHBGWLRM-UHFFFAOYSA-N 2 2 396.535 3.880 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(OC(F)(F)F)cc3)[nH+]c2)C1 ZINC001461357349 1069516907 /nfs/dbraw/zinc/51/69/07/1069516907.db2.gz RITIWUUBLFNSHW-MRXNPFEDSA-N 2 2 380.414 3.733 20 0 GHADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(F)ccc2Oc2ccc(F)cc2Cl)C1 ZINC001461409333 1069538279 /nfs/dbraw/zinc/53/82/79/1069538279.db2.gz MVSDFMKGNYZLAT-LJQANCHMSA-N 2 2 382.838 3.567 20 0 GHADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(F)ccc2Oc2ccc(F)cc2Cl)C1 ZINC001461409333 1069538285 /nfs/dbraw/zinc/53/82/85/1069538285.db2.gz MVSDFMKGNYZLAT-LJQANCHMSA-N 2 2 382.838 3.567 20 0 GHADLP Cc1cc(Br)cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1O ZINC000182094286 1029099467 /nfs/dbraw/zinc/09/94/67/1029099467.db2.gz SNVLYNUVVFUVOA-CQSZACIVSA-N 2 2 378.314 3.651 20 0 GHADLP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1O ZINC000182094286 1029099481 /nfs/dbraw/zinc/09/94/81/1029099481.db2.gz SNVLYNUVVFUVOA-CQSZACIVSA-N 2 2 378.314 3.651 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4nc[nH]c43)C[C@@H]21 ZINC001142686891 1029269583 /nfs/dbraw/zinc/26/95/83/1029269583.db2.gz KFOQTOMKHZVQJE-PIPMEXSNSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4nc[nH]c43)C[C@@H]21 ZINC001142686891 1029269593 /nfs/dbraw/zinc/26/95/93/1029269593.db2.gz KFOQTOMKHZVQJE-PIPMEXSNSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4nc[nH]c43)C[C@@H]21 ZINC001142686891 1029269613 /nfs/dbraw/zinc/26/96/13/1029269613.db2.gz KFOQTOMKHZVQJE-PIPMEXSNSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4nc[nH]c43)C[C@@H]21 ZINC001142686891 1029269630 /nfs/dbraw/zinc/26/96/30/1029269630.db2.gz KFOQTOMKHZVQJE-PIPMEXSNSA-N 2 2 375.520 3.690 20 0 GHADLP CCc1cccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842678814 1029484691 /nfs/dbraw/zinc/48/46/91/1029484691.db2.gz DETDOTBBGAUAQQ-JOCHJYFZSA-N 2 2 377.532 3.974 20 0 GHADLP CCc1cccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842678814 1029484700 /nfs/dbraw/zinc/48/47/00/1029484700.db2.gz DETDOTBBGAUAQQ-JOCHJYFZSA-N 2 2 377.532 3.974 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000184731070 1029596887 /nfs/dbraw/zinc/59/68/87/1029596887.db2.gz MDTHMYJLEZXJMW-LJQANCHMSA-N 2 2 390.572 3.712 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000184731070 1029596893 /nfs/dbraw/zinc/59/68/93/1029596893.db2.gz MDTHMYJLEZXJMW-LJQANCHMSA-N 2 2 390.572 3.712 20 0 GHADLP FC1(F)CC[N@H+](Cc2ccnc3[nH]ccc32)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001142873071 1029619400 /nfs/dbraw/zinc/61/94/00/1029619400.db2.gz DSFZJPXQDBPHTD-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[N@@H+](Cc2ccnc3[nH]ccc32)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001142873071 1029619406 /nfs/dbraw/zinc/61/94/06/1029619406.db2.gz DSFZJPXQDBPHTD-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2ccnc3[nH]ccc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001142873071 1029619408 /nfs/dbraw/zinc/61/94/08/1029619408.db2.gz DSFZJPXQDBPHTD-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2ccnc3[nH]ccc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001142873071 1029619418 /nfs/dbraw/zinc/61/94/18/1029619418.db2.gz DSFZJPXQDBPHTD-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP c1cn(-c2ccc(-c3noc(-c4ccc(OC5CC[NH2+]CC5)cc4)n3)cc2)c[nH+]1 ZINC001216698781 1029733910 /nfs/dbraw/zinc/73/39/10/1029733910.db2.gz DKPUVJKZHWUAIH-UHFFFAOYSA-N 2 2 387.443 3.720 20 0 GHADLP CO[C@](C)([C@H](C)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)C1CC1 ZINC001461588357 1069625321 /nfs/dbraw/zinc/62/53/21/1069625321.db2.gz ZTMLTAPWXFBYHL-MGPUTAFESA-N 2 2 377.916 3.909 20 0 GHADLP Brc1ccc2nc(C[N@@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cn2c1 ZINC001222167281 1029984399 /nfs/dbraw/zinc/98/43/99/1029984399.db2.gz JUYOFTTUXJVEMO-LJQANCHMSA-N 2 2 391.357 3.843 20 0 GHADLP Brc1ccc2nc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cn2c1 ZINC001222167281 1029984404 /nfs/dbraw/zinc/98/44/04/1029984404.db2.gz JUYOFTTUXJVEMO-LJQANCHMSA-N 2 2 391.357 3.843 20 0 GHADLP Brc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c2nsnc21 ZINC001222320922 1030070685 /nfs/dbraw/zinc/07/06/85/1030070685.db2.gz OGPSEDLIQJSGAN-INIZCTEOSA-N 2 2 381.343 3.562 20 0 GHADLP Brc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c2nsnc21 ZINC001222320922 1030070702 /nfs/dbraw/zinc/07/07/02/1030070702.db2.gz OGPSEDLIQJSGAN-INIZCTEOSA-N 2 2 381.343 3.562 20 0 GHADLP COc1cc(-c2noc(-c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)n2)ccc1F ZINC001217116829 1030178437 /nfs/dbraw/zinc/17/84/37/1030178437.db2.gz RYEFRNBLEBMQCM-UHFFFAOYSA-N 2 2 398.482 3.935 20 0 GHADLP COc1cc(-c2noc(-c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)n2)ccc1F ZINC001217116829 1030178453 /nfs/dbraw/zinc/17/84/53/1030178453.db2.gz RYEFRNBLEBMQCM-UHFFFAOYSA-N 2 2 398.482 3.935 20 0 GHADLP CCOc1ccncc1C[N@@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222582577 1030208973 /nfs/dbraw/zinc/20/89/73/1030208973.db2.gz CYKGVIDMNGFTME-QFIPXVFZSA-N 2 2 395.547 3.784 20 0 GHADLP CCOc1ccncc1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222582577 1030208986 /nfs/dbraw/zinc/20/89/86/1030208986.db2.gz CYKGVIDMNGFTME-QFIPXVFZSA-N 2 2 395.547 3.784 20 0 GHADLP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609801 1030235065 /nfs/dbraw/zinc/23/50/65/1030235065.db2.gz RIPJXQZIPQBUJC-GOSISDBHSA-N 2 2 392.421 3.783 20 0 GHADLP COc1ccc(OC(F)(F)F)cc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609801 1030235079 /nfs/dbraw/zinc/23/50/79/1030235079.db2.gz RIPJXQZIPQBUJC-GOSISDBHSA-N 2 2 392.421 3.783 20 0 GHADLP c1ccc(COc2ccc(C[N@@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)nc2)cc1 ZINC001222615228 1030239216 /nfs/dbraw/zinc/23/92/16/1030239216.db2.gz NRPDAGUIPMTBIT-XMMPIXPASA-N 2 2 385.511 3.850 20 0 GHADLP c1ccc(COc2ccc(C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)nc2)cc1 ZINC001222615228 1030239227 /nfs/dbraw/zinc/23/92/27/1030239227.db2.gz NRPDAGUIPMTBIT-XMMPIXPASA-N 2 2 385.511 3.850 20 0 GHADLP C[N@@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc13 ZINC001218012118 1030723514 /nfs/dbraw/zinc/72/35/14/1030723514.db2.gz MJAHAYVYLAVCSL-AYWYSENESA-N 2 2 376.491 3.751 20 0 GHADLP C[N@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc13 ZINC001218012118 1030723526 /nfs/dbraw/zinc/72/35/26/1030723526.db2.gz MJAHAYVYLAVCSL-AYWYSENESA-N 2 2 376.491 3.751 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cnnn1-c1ccccc1 ZINC001461731129 1069707387 /nfs/dbraw/zinc/70/73/87/1069707387.db2.gz ZYPYHYPKTDFJSX-UHFFFAOYSA-N 2 2 389.507 3.571 20 0 GHADLP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218710184 1031043727 /nfs/dbraw/zinc/04/37/27/1031043727.db2.gz CLFBNDOAWBLAOG-HXUWFJFHSA-N 2 2 390.487 3.740 20 0 GHADLP O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)c1nc2c(s1)C[NH2+]CC2 ZINC001218847380 1031112345 /nfs/dbraw/zinc/11/23/45/1031112345.db2.gz KMCVJVLREYMOLC-UHFFFAOYSA-N 2 2 390.512 3.557 20 0 GHADLP O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)c1nc2c(s1)C[NH2+]CC2 ZINC001218847380 1031112352 /nfs/dbraw/zinc/11/23/52/1031112352.db2.gz KMCVJVLREYMOLC-UHFFFAOYSA-N 2 2 390.512 3.557 20 0 GHADLP Fc1ccccc1C[N@@H+]1CCC[C@@H](OC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC001224960728 1031193096 /nfs/dbraw/zinc/19/30/96/1031193096.db2.gz GIFVKDHDXCCZMR-PKTZIBPZSA-N 2 2 398.522 3.708 20 0 GHADLP Fc1ccccc1C[N@H+]1CCC[C@@H](OC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC001224960728 1031193102 /nfs/dbraw/zinc/19/31/02/1031193102.db2.gz GIFVKDHDXCCZMR-PKTZIBPZSA-N 2 2 398.522 3.708 20 0 GHADLP Fc1ccccc1C[NH+]1CCC[C@@H](OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001224960728 1031193113 /nfs/dbraw/zinc/19/31/13/1031193113.db2.gz GIFVKDHDXCCZMR-PKTZIBPZSA-N 2 2 398.522 3.708 20 0 GHADLP Fc1ccccc1C[NH+]1CCC[C@@H](OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001224960728 1031193120 /nfs/dbraw/zinc/19/31/20/1031193120.db2.gz GIFVKDHDXCCZMR-PKTZIBPZSA-N 2 2 398.522 3.708 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccco1 ZINC001225323619 1031349909 /nfs/dbraw/zinc/34/99/09/1031349909.db2.gz ZURCVTDSYDLUAU-PMACEKPBSA-N 2 2 395.507 3.600 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2cc(F)cc3c2-c2ccc(F)cc2C3)cc1 ZINC001219550338 1031496016 /nfs/dbraw/zinc/49/60/16/1031496016.db2.gz XBZUWBQPMXVJHQ-LJQANCHMSA-N 2 2 379.410 3.747 20 0 GHADLP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)c1cccc2c1C[N@H+](Cc1ccccc1)C2 ZINC001219828753 1031642356 /nfs/dbraw/zinc/64/23/56/1031642356.db2.gz DWOSPWXGFXIPRG-OAQYLSRUSA-N 2 2 389.524 3.838 20 0 GHADLP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)c1cccc2c1C[N@@H+](Cc1ccccc1)C2 ZINC001219828753 1031642367 /nfs/dbraw/zinc/64/23/67/1031642367.db2.gz DWOSPWXGFXIPRG-OAQYLSRUSA-N 2 2 389.524 3.838 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)c1cccc(F)c1 ZINC001220192881 1031827234 /nfs/dbraw/zinc/82/72/34/1031827234.db2.gz FOBFPAUCMROOIN-IBGZPJMESA-N 2 2 385.487 3.635 20 0 GHADLP C[C@@H](CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)[N@@H+]1CCCC[C@H]1C ZINC001220627124 1032026393 /nfs/dbraw/zinc/02/63/93/1032026393.db2.gz VEBMMEXLADWRRK-CVEARBPZSA-N 2 2 389.931 3.588 20 0 GHADLP C[C@@H](CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)[N@H+]1CCCC[C@H]1C ZINC001220627124 1032026405 /nfs/dbraw/zinc/02/64/05/1032026405.db2.gz VEBMMEXLADWRRK-CVEARBPZSA-N 2 2 389.931 3.588 20 0 GHADLP CC[NH+](CC)CCCC1CC[NH+](Cc2c(C(=O)OC(C)(C)C)cnn2C)CC1 ZINC001205394047 1033392112 /nfs/dbraw/zinc/39/21/12/1033392112.db2.gz IGCMMUNOJDMDKN-UHFFFAOYSA-N 2 2 392.588 3.709 20 0 GHADLP C[C@@H]1CCCN(c2cc(N3CCC([N@H+](C)Cc4ccc(F)cc4)CC3)nc[nH+]2)C1 ZINC001157083608 1033406359 /nfs/dbraw/zinc/40/63/59/1033406359.db2.gz ORGIITLNJBEWMS-GOSISDBHSA-N 2 2 397.542 3.953 20 0 GHADLP C[C@@H]1CCCN(c2cc(N3CCC([N@@H+](C)Cc4ccc(F)cc4)CC3)nc[nH+]2)C1 ZINC001157083608 1033406362 /nfs/dbraw/zinc/40/63/62/1033406362.db2.gz ORGIITLNJBEWMS-GOSISDBHSA-N 2 2 397.542 3.953 20 0 GHADLP C[C@@H]1CCCN(c2cc(N3CCC([N@H+](C)Cc4ccc(F)cc4)CC3)[nH+]cn2)C1 ZINC001157083608 1033406364 /nfs/dbraw/zinc/40/63/64/1033406364.db2.gz ORGIITLNJBEWMS-GOSISDBHSA-N 2 2 397.542 3.953 20 0 GHADLP C[C@@H]1CCCN(c2cc(N3CCC([N@@H+](C)Cc4ccc(F)cc4)CC3)[nH+]cn2)C1 ZINC001157083608 1033406365 /nfs/dbraw/zinc/40/63/65/1033406365.db2.gz ORGIITLNJBEWMS-GOSISDBHSA-N 2 2 397.542 3.953 20 0 GHADLP O=C([C@H]1CC[C@@H](c2ccccc2)[NH2+]C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001157609184 1033689839 /nfs/dbraw/zinc/68/98/39/1033689839.db2.gz BXDBFAWUGCEMCX-HRAMFJNOSA-N 2 2 389.543 3.585 20 0 GHADLP Clc1ccc(C[NH+]2CCCC2)c(-n2ccc(C[NH2+]Cc3ccccc3)n2)n1 ZINC001157612372 1033691541 /nfs/dbraw/zinc/69/15/41/1033691541.db2.gz UHVPMQUPLKBVQD-UHFFFAOYSA-N 2 2 381.911 3.806 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1cc(C[NH+]2CCCCC2)ccn1 ZINC001206490787 1033869264 /nfs/dbraw/zinc/86/92/64/1033869264.db2.gz QZPNLTNDGKEHJF-UHFFFAOYSA-N 2 2 381.520 3.575 20 0 GHADLP FC(F)(F)c1ccc(N(c2cc(-n3ccnc3)cc[nH+]2)C2CC[NH2+]CC2)nc1 ZINC001158093019 1033912185 /nfs/dbraw/zinc/91/21/85/1033912185.db2.gz XMAUJIHITZMVQR-UHFFFAOYSA-N 2 2 388.397 3.571 20 0 GHADLP COc1cc(N2CCN(c3[nH+]ccc4c3ccn4Cc3ccccc3)CC2)cc[nH+]1 ZINC001158099636 1033914853 /nfs/dbraw/zinc/91/48/53/1033914853.db2.gz OSQIAVOZZZQVAW-UHFFFAOYSA-N 2 2 399.498 3.815 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3c(Cl)nc(Cl)c(Cl)c3Cl)CC2)C1 ZINC001158259834 1033991507 /nfs/dbraw/zinc/99/15/07/1033991507.db2.gz VYWXYYKJVPNUDH-MRVPVSSYSA-N 2 2 384.138 3.697 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3c(Cl)nc(Cl)c(Cl)c3Cl)CC2)C1 ZINC001158259834 1033991509 /nfs/dbraw/zinc/99/15/09/1033991509.db2.gz VYWXYYKJVPNUDH-MRVPVSSYSA-N 2 2 384.138 3.697 20 0 GHADLP CC(C)COc1ccccc1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001206846664 1034033781 /nfs/dbraw/zinc/03/37/81/1034033781.db2.gz KZKPEXZVXIBWNV-DEOSSOPVSA-N 2 2 382.548 3.790 20 0 GHADLP CC(C)COc1ccccc1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001206846664 1034033795 /nfs/dbraw/zinc/03/37/95/1034033795.db2.gz KZKPEXZVXIBWNV-DEOSSOPVSA-N 2 2 382.548 3.790 20 0 GHADLP CC(C)COc1ccccc1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001206846664 1034033800 /nfs/dbraw/zinc/03/38/00/1034033800.db2.gz KZKPEXZVXIBWNV-DEOSSOPVSA-N 2 2 382.548 3.790 20 0 GHADLP CC(C)COc1ccccc1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001206846664 1034033814 /nfs/dbraw/zinc/03/38/14/1034033814.db2.gz KZKPEXZVXIBWNV-DEOSSOPVSA-N 2 2 382.548 3.790 20 0 GHADLP O=C(OCc1ccccc1)N1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001207185567 1034155043 /nfs/dbraw/zinc/15/50/43/1034155043.db2.gz PEFNAMACLNGPEI-RBBKRZOGSA-N 2 2 385.552 3.784 20 0 GHADLP O=C(OCc1ccccc1)N1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001207185567 1034155049 /nfs/dbraw/zinc/15/50/49/1034155049.db2.gz PEFNAMACLNGPEI-RBBKRZOGSA-N 2 2 385.552 3.784 20 0 GHADLP c1cn(Cc2nnn3c2C[N@H+](CC(c2ccccc2)c2ccccc2)CCC3)c[nH+]1 ZINC001207526069 1034429287 /nfs/dbraw/zinc/42/92/87/1034429287.db2.gz LNEWXLKGUDNZJH-UHFFFAOYSA-N 2 2 398.514 3.561 20 0 GHADLP c1cn(Cc2nnn3c2C[N@@H+](CC(c2ccccc2)c2ccccc2)CCC3)c[nH+]1 ZINC001207526069 1034429295 /nfs/dbraw/zinc/42/92/95/1034429295.db2.gz LNEWXLKGUDNZJH-UHFFFAOYSA-N 2 2 398.514 3.561 20 0 GHADLP COc1cc(OC(F)(F)F)ccc1Nc1ccc[nH+]c1N1CCC([NH3+])CC1 ZINC001159262715 1034510461 /nfs/dbraw/zinc/51/04/61/1034510461.db2.gz WRMJGLFBCQHYPO-UHFFFAOYSA-N 2 2 382.386 3.660 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1nc2ccccc2n1C(F)F ZINC001207873528 1034634493 /nfs/dbraw/zinc/63/44/93/1034634493.db2.gz YBUSPAIWWXWVQE-GOEBONIOSA-N 2 2 378.467 3.725 20 0 GHADLP CCc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)s1 ZINC001231501848 1034646705 /nfs/dbraw/zinc/64/67/05/1034646705.db2.gz UQYUORIUNZWGQH-OXQOHEQNSA-N 2 2 391.606 3.798 20 0 GHADLP CCc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)s1 ZINC001231501848 1034646712 /nfs/dbraw/zinc/64/67/12/1034646712.db2.gz UQYUORIUNZWGQH-OXQOHEQNSA-N 2 2 391.606 3.798 20 0 GHADLP CCc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4csc(C)n4)CCO[C@@H]3C2)s1 ZINC001231501848 1034646722 /nfs/dbraw/zinc/64/67/22/1034646722.db2.gz UQYUORIUNZWGQH-OXQOHEQNSA-N 2 2 391.606 3.798 20 0 GHADLP CCc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4csc(C)n4)CCO[C@@H]3C2)s1 ZINC001231501848 1034646727 /nfs/dbraw/zinc/64/67/27/1034646727.db2.gz UQYUORIUNZWGQH-OXQOHEQNSA-N 2 2 391.606 3.798 20 0 GHADLP C[NH+]1CCN(c2cccc(NCc3cc(-c4cccc(Cl)c4)no3)[nH+]2)CC1 ZINC001159884873 1034773593 /nfs/dbraw/zinc/77/35/93/1034773593.db2.gz LZPNRSJSDCCJSC-UHFFFAOYSA-N 2 2 383.883 3.754 20 0 GHADLP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001208206508 1034796828 /nfs/dbraw/zinc/79/68/28/1034796828.db2.gz PHTUXVFJXQMTLN-IBGZPJMESA-N 2 2 387.572 3.608 20 0 GHADLP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001208206508 1034796839 /nfs/dbraw/zinc/79/68/39/1034796839.db2.gz PHTUXVFJXQMTLN-IBGZPJMESA-N 2 2 387.572 3.608 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1OC(C)=O ZINC001231710265 1034851595 /nfs/dbraw/zinc/85/15/95/1034851595.db2.gz DFKQGHDBILBEAR-VXKWHMMOSA-N 2 2 394.515 3.574 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1OC(C)=O ZINC001231710265 1034851602 /nfs/dbraw/zinc/85/16/02/1034851602.db2.gz DFKQGHDBILBEAR-VXKWHMMOSA-N 2 2 394.515 3.574 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC(C)=O ZINC001231710265 1034851616 /nfs/dbraw/zinc/85/16/16/1034851616.db2.gz DFKQGHDBILBEAR-VXKWHMMOSA-N 2 2 394.515 3.574 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC(C)=O ZINC001231710265 1034851629 /nfs/dbraw/zinc/85/16/29/1034851629.db2.gz DFKQGHDBILBEAR-VXKWHMMOSA-N 2 2 394.515 3.574 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC001160165390 1034886598 /nfs/dbraw/zinc/88/65/98/1034886598.db2.gz HOSNOZVYNLIHSL-QHCPKHFHSA-N 2 2 383.580 3.861 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)cc1 ZINC001160165390 1034886603 /nfs/dbraw/zinc/88/66/03/1034886603.db2.gz HOSNOZVYNLIHSL-QHCPKHFHSA-N 2 2 383.580 3.861 20 0 GHADLP CC(C)Oc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231756831 1034887076 /nfs/dbraw/zinc/88/70/76/1034887076.db2.gz BSNAXHYESHIRLA-WWPVKYPJSA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1ncccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231756831 1034887080 /nfs/dbraw/zinc/88/70/80/1034887080.db2.gz BSNAXHYESHIRLA-WWPVKYPJSA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1ncccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231756831 1034887087 /nfs/dbraw/zinc/88/70/87/1034887087.db2.gz BSNAXHYESHIRLA-WWPVKYPJSA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1ncccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231756831 1034887097 /nfs/dbraw/zinc/88/70/97/1034887097.db2.gz BSNAXHYESHIRLA-WWPVKYPJSA-N 2 2 394.563 3.996 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccccc4)o3)CC2)C1 ZINC001231813336 1034924618 /nfs/dbraw/zinc/92/46/18/1034924618.db2.gz AFFGOMHGXMSECX-IBGZPJMESA-N 2 2 382.504 3.796 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(-c4ccccc4)o3)CC2)C1 ZINC001231813336 1034924625 /nfs/dbraw/zinc/92/46/25/1034924625.db2.gz AFFGOMHGXMSECX-IBGZPJMESA-N 2 2 382.504 3.796 20 0 GHADLP c1csc(C[NH+]2C[C@H]3CN(C[C@H]4CCCC[N@@H+]4Cc4ccccc4)C[C@@H]3C2)n1 ZINC001208583317 1034940211 /nfs/dbraw/zinc/94/02/11/1034940211.db2.gz CERMKOKLXATZKF-YPAWHYETSA-N 2 2 396.604 3.561 20 0 GHADLP c1csc(C[NH+]2C[C@H]3CN(C[C@H]4CCCC[N@H+]4Cc4ccccc4)C[C@@H]3C2)n1 ZINC001208583317 1034940213 /nfs/dbraw/zinc/94/02/13/1034940213.db2.gz CERMKOKLXATZKF-YPAWHYETSA-N 2 2 396.604 3.561 20 0 GHADLP Cc1ccc([C@H](C(=O)N2CCCC3(CC(F)C3)CC2)[NH+]2CCC([NH3+])CC2)cc1 ZINC001160756537 1035058038 /nfs/dbraw/zinc/05/80/38/1035058038.db2.gz ONMDNDSUHOETMJ-YUVVGHDESA-N 2 2 387.543 3.590 20 0 GHADLP c1csc(C[NH+]2CC[C@@H]3C[N@H+](CC4CCN(c5ccccc5)CC4)CC[C@@H]32)n1 ZINC001208908827 1035084050 /nfs/dbraw/zinc/08/40/50/1035084050.db2.gz VMXWDXBXKWNJBS-IRLDBZIGSA-N 2 2 396.604 3.956 20 0 GHADLP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CCN(c5ccccc5)CC4)CC[C@@H]32)n1 ZINC001208908827 1035084054 /nfs/dbraw/zinc/08/40/54/1035084054.db2.gz VMXWDXBXKWNJBS-IRLDBZIGSA-N 2 2 396.604 3.956 20 0 GHADLP c1csc(C[N@H+]2CC[C@@H]3C[NH+](CC4CCN(c5ccccc5)CC4)CC[C@@H]32)n1 ZINC001208908827 1035084059 /nfs/dbraw/zinc/08/40/59/1035084059.db2.gz VMXWDXBXKWNJBS-IRLDBZIGSA-N 2 2 396.604 3.956 20 0 GHADLP c1csc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CCN(c5ccccc5)CC4)CC[C@@H]32)n1 ZINC001208908827 1035084064 /nfs/dbraw/zinc/08/40/64/1035084064.db2.gz VMXWDXBXKWNJBS-IRLDBZIGSA-N 2 2 396.604 3.956 20 0 GHADLP Fc1cccc(C[NH+]2CCN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208934730 1035100703 /nfs/dbraw/zinc/10/07/03/1035100703.db2.gz GBOWXDDELYAWKZ-HSZRJFAPSA-N 2 2 381.539 3.856 20 0 GHADLP Fc1cccc(C[NH+]2CCN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208934730 1035100707 /nfs/dbraw/zinc/10/07/07/1035100707.db2.gz GBOWXDDELYAWKZ-HSZRJFAPSA-N 2 2 381.539 3.856 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[NH+](C[C@H]4CCC[N@H+](Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001208935761 1035101666 /nfs/dbraw/zinc/10/16/66/1035101666.db2.gz LJWBAMCPFDVKQK-GSDHBNRESA-N 3 2 389.587 3.962 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[NH+](C[C@H]4CCC[N@@H+](Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001208935761 1035101670 /nfs/dbraw/zinc/10/16/70/1035101670.db2.gz LJWBAMCPFDVKQK-GSDHBNRESA-N 3 2 389.587 3.962 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208941543 1035109116 /nfs/dbraw/zinc/10/91/16/1035109116.db2.gz LPMOATACMKUAAC-SVFBPWRDSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208941543 1035109122 /nfs/dbraw/zinc/10/91/22/1035109122.db2.gz LPMOATACMKUAAC-SVFBPWRDSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208941543 1035109125 /nfs/dbraw/zinc/10/91/25/1035109125.db2.gz LPMOATACMKUAAC-SVFBPWRDSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208941543 1035109129 /nfs/dbraw/zinc/10/91/29/1035109129.db2.gz LPMOATACMKUAAC-SVFBPWRDSA-N 2 2 387.568 3.838 20 0 GHADLP COC(=O)c1cccc(C[NH+]2CCC(Nc3cc(C(C)C)[nH+]c(C)n3)CC2)c1 ZINC001161169176 1035166027 /nfs/dbraw/zinc/16/60/27/1035166027.db2.gz FEFMJIUXXGHFHW-UHFFFAOYSA-N 2 2 382.508 3.772 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1cc(F)c(F)cc1F)[C@H]2C ZINC001209250189 1035221286 /nfs/dbraw/zinc/22/12/86/1035221286.db2.gz NTCTURNBPBCXLT-AWEZNQCLSA-N 2 2 380.458 3.760 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1cc(F)c(F)cc1F)[C@H]2C ZINC001209250189 1035221292 /nfs/dbraw/zinc/22/12/92/1035221292.db2.gz NTCTURNBPBCXLT-AWEZNQCLSA-N 2 2 380.458 3.760 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1cc(F)c(F)cc1F)[C@H]2C ZINC001209250189 1035221293 /nfs/dbraw/zinc/22/12/93/1035221293.db2.gz NTCTURNBPBCXLT-AWEZNQCLSA-N 2 2 380.458 3.760 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1cc(F)c(F)cc1F)[C@H]2C ZINC001209250189 1035221294 /nfs/dbraw/zinc/22/12/94/1035221294.db2.gz NTCTURNBPBCXLT-AWEZNQCLSA-N 2 2 380.458 3.760 20 0 GHADLP COC1CCC(C[NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)CC1 ZINC001209400589 1035269216 /nfs/dbraw/zinc/26/92/16/1035269216.db2.gz SQXZUKQPYMHNNP-UHFFFAOYSA-N 2 2 378.314 3.701 20 0 GHADLP CC[C@@H](C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1)NC(=O)OC(C)(C)C ZINC001209467839 1035282605 /nfs/dbraw/zinc/28/26/05/1035282605.db2.gz FARMKAAWPBKLBN-FQEVSTJZSA-N 2 2 387.568 3.812 20 0 GHADLP CC[C@@H](C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1)NC(=O)OC(C)(C)C ZINC001209467839 1035282611 /nfs/dbraw/zinc/28/26/11/1035282611.db2.gz FARMKAAWPBKLBN-FQEVSTJZSA-N 2 2 387.568 3.812 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)C1 ZINC001209518411 1035301220 /nfs/dbraw/zinc/30/12/20/1035301220.db2.gz LBSJCQBHECWFIR-LJQANCHMSA-N 2 2 398.551 3.731 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)C1 ZINC001209518411 1035301223 /nfs/dbraw/zinc/30/12/23/1035301223.db2.gz LBSJCQBHECWFIR-LJQANCHMSA-N 2 2 398.551 3.731 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1c(Cl)cccc1OC(F)(F)F)CC2 ZINC001209522435 1035302728 /nfs/dbraw/zinc/30/27/28/1035302728.db2.gz WSZJGUYCZGIYAW-UHFFFAOYSA-N 2 2 391.821 3.869 20 0 GHADLP [NH3+][C@@H](Cc1nc(-c2ccccc2-n2cc[nH+]c2)no1)Cc1ccccc1Cl ZINC001248226760 1035661589 /nfs/dbraw/zinc/66/15/89/1035661589.db2.gz CYBRDNMPKIWDCP-OAHLLOKOSA-N 2 2 379.851 3.688 20 0 GHADLP C[NH+](C)CCOc1ccc(-c2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)cc1 ZINC001242149861 1035834512 /nfs/dbraw/zinc/83/45/12/1035834512.db2.gz UJNNJLBLZWNTKG-UHFFFAOYSA-N 2 2 385.471 3.937 20 0 GHADLP CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001462148134 1070035102 /nfs/dbraw/zinc/03/51/02/1070035102.db2.gz MZIKWKSOJWIWJB-ZWKOTPCHSA-N 2 2 386.527 3.989 20 0 GHADLP C[C@@H](Cc1ccccc1Br)[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246202956 1037237476 /nfs/dbraw/zinc/23/74/76/1037237476.db2.gz PSFQXJWHJLNKBT-YOEHRIQHSA-N 2 2 399.373 3.809 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CC[NH2+]1 ZINC001246331109 1037298173 /nfs/dbraw/zinc/29/81/73/1037298173.db2.gz HRUZXRIKVNIYDT-IFMALSPDSA-N 3 2 385.527 3.657 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)c(Br)c1 ZINC001246354466 1037311846 /nfs/dbraw/zinc/31/18/46/1037311846.db2.gz LQIBLYHJLSERKH-MRXNPFEDSA-N 2 2 395.341 3.780 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H](c3ccccc3)C2)cc1 ZINC001246368373 1037327214 /nfs/dbraw/zinc/32/72/14/1037327214.db2.gz BWIOLPMVFUYSJW-NIYYFLRXSA-N 3 2 375.560 3.917 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H](c3ccccc3)C2)cc1 ZINC001246368373 1037327234 /nfs/dbraw/zinc/32/72/34/1037327234.db2.gz BWIOLPMVFUYSJW-NIYYFLRXSA-N 3 2 375.560 3.917 20 0 GHADLP Brc1ccc2c(c1)OC[C@@H]2[NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246375107 1037333112 /nfs/dbraw/zinc/33/31/12/1037333112.db2.gz OMRBFBMIJGBLST-LNLFQRSKSA-N 2 2 387.321 3.836 20 0 GHADLP CC(C)[C@H]1C[C@@H]([NH2+]C2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246390092 1037350283 /nfs/dbraw/zinc/35/02/83/1037350283.db2.gz SPVSAHHZPWTTQP-PKOBYXMFSA-N 3 2 383.502 3.736 20 0 GHADLP [NH3+]C1(Cc2cccc(F)c2)CC[NH+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246421434 1037379637 /nfs/dbraw/zinc/37/96/37/1037379637.db2.gz SAKJHMYWLYCQGF-DHIUTWEWSA-N 3 2 381.539 3.525 20 0 GHADLP O=C1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CN1Cc1ccccc1Cl ZINC001246497486 1037441486 /nfs/dbraw/zinc/44/14/86/1037441486.db2.gz MTYJOFPRWAODQU-DYXWJJEUSA-N 2 2 383.923 3.524 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H](N2CC[NH+](Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246522763 1037453859 /nfs/dbraw/zinc/45/38/59/1037453859.db2.gz GLGHFARLTBVESL-FYYLOGMGSA-N 2 2 385.502 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[N@H+]([C@@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246593658 1037493287 /nfs/dbraw/zinc/49/32/87/1037493287.db2.gz OGXROPZXRGVDAC-IFMALSPDSA-N 2 2 382.479 3.772 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246593658 1037493308 /nfs/dbraw/zinc/49/33/08/1037493308.db2.gz OGXROPZXRGVDAC-IFMALSPDSA-N 2 2 382.479 3.772 20 0 GHADLP CCC[NH+]1CCC([N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001246618730 1037510226 /nfs/dbraw/zinc/51/02/26/1037510226.db2.gz KHGKMDMILNFUMH-HSZRJFAPSA-N 3 2 385.596 3.664 20 0 GHADLP CCC[NH+]1CCC([N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001246618730 1037510249 /nfs/dbraw/zinc/51/02/49/1037510249.db2.gz KHGKMDMILNFUMH-HSZRJFAPSA-N 3 2 385.596 3.664 20 0 GHADLP CCCCOC(=O)CC[C@@H](C)[N@@H+]1CCc2ccc(OC)cc2C12CC[NH2+]CC2 ZINC001246634977 1037520514 /nfs/dbraw/zinc/52/05/14/1037520514.db2.gz IKWKUVIOJYXNEB-GOSISDBHSA-N 2 2 388.552 3.644 20 0 GHADLP CCCCOC(=O)CC[C@@H](C)[N@H+]1CCc2ccc(OC)cc2C12CC[NH2+]CC2 ZINC001246634977 1037520522 /nfs/dbraw/zinc/52/05/22/1037520522.db2.gz IKWKUVIOJYXNEB-GOSISDBHSA-N 2 2 388.552 3.644 20 0 GHADLP c1ccc(C[C@H]2C[C@H]([N@H+]3CCO[C@H]4[C@H](OCC5CCCC5)CC[C@@H]43)CC[NH2+]2)cc1 ZINC001246692484 1037550162 /nfs/dbraw/zinc/55/01/62/1037550162.db2.gz HCPZFADSGHEXIZ-HNRDJRCMSA-N 2 2 398.591 3.788 20 0 GHADLP c1ccc(C[C@H]2C[C@H]([N@@H+]3CCO[C@H]4[C@H](OCC5CCCC5)CC[C@@H]43)CC[NH2+]2)cc1 ZINC001246692484 1037550190 /nfs/dbraw/zinc/55/01/90/1037550190.db2.gz HCPZFADSGHEXIZ-HNRDJRCMSA-N 2 2 398.591 3.788 20 0 GHADLP Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CC[NH+]([C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246763033 1037608132 /nfs/dbraw/zinc/60/81/32/1037608132.db2.gz AZLXCMUQJDDREO-RBUKOAKNSA-N 2 2 393.531 3.723 20 0 GHADLP c1ccc([C@H]2C[C@H]([NH+]3CCN(c4nc5ccccc5s4)CC3)CC[NH2+]2)cc1 ZINC001246782961 1037623213 /nfs/dbraw/zinc/62/32/13/1037623213.db2.gz YDWRVPQARIXOHT-UYAOXDASSA-N 2 2 378.545 3.912 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246793502 1037633382 /nfs/dbraw/zinc/63/33/82/1037633382.db2.gz ZXWLHLBAOHYIRC-POAQFYNOSA-N 2 2 376.516 3.981 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246793502 1037633387 /nfs/dbraw/zinc/63/33/87/1037633387.db2.gz ZXWLHLBAOHYIRC-POAQFYNOSA-N 2 2 376.516 3.981 20 0 GHADLP COc1ccc(Cl)cc1N1CC[NH+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC001246831432 1037663372 /nfs/dbraw/zinc/66/33/72/1037663372.db2.gz FASYUNDTJFGRPQ-PMACEKPBSA-N 2 2 385.939 3.964 20 0 GHADLP COc1cc(OC2CC[NH+]([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)ccn1 ZINC001246979706 1037803757 /nfs/dbraw/zinc/80/37/57/1037803757.db2.gz ZYVWTNKINPFUFA-AVRDEDQJSA-N 2 2 399.510 3.874 20 0 GHADLP FC(F)(F)[C@H]1C[N@H+](Cc2ccccc2)CCN1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246993174 1037817884 /nfs/dbraw/zinc/81/78/84/1037817884.db2.gz LHEWEEDGBHONKX-RTBURBONSA-N 2 2 381.486 3.657 20 0 GHADLP FC(F)(F)[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246993174 1037817910 /nfs/dbraw/zinc/81/79/10/1037817910.db2.gz LHEWEEDGBHONKX-RTBURBONSA-N 2 2 381.486 3.657 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247006499 1037831472 /nfs/dbraw/zinc/83/14/72/1037831472.db2.gz ABPUINILTONNQE-UXRJZLDDSA-N 2 2 390.955 3.767 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247006499 1037831498 /nfs/dbraw/zinc/83/14/98/1037831498.db2.gz ABPUINILTONNQE-UXRJZLDDSA-N 2 2 390.955 3.767 20 0 GHADLP CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC001462262868 1070129774 /nfs/dbraw/zinc/12/97/74/1070129774.db2.gz XKBCLJWMZKBXLJ-RBUKOAKNSA-N 2 2 394.506 3.998 20 0 GHADLP CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC001462262868 1070129778 /nfs/dbraw/zinc/12/97/78/1070129778.db2.gz XKBCLJWMZKBXLJ-RBUKOAKNSA-N 2 2 394.506 3.998 20 0 GHADLP Clc1cc2[nH]cc(C[N@@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)c2cn1 ZINC001232821021 1038575490 /nfs/dbraw/zinc/57/54/90/1038575490.db2.gz OFWKNQXELHJNDH-FXAWDEMLSA-N 2 2 388.943 3.539 20 0 GHADLP Clc1cc2[nH]cc(C[N@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)c2cn1 ZINC001232821021 1038575493 /nfs/dbraw/zinc/57/54/93/1038575493.db2.gz OFWKNQXELHJNDH-FXAWDEMLSA-N 2 2 388.943 3.539 20 0 GHADLP Clc1cc2[nH]cc(C[NH+]3C[C@@H]4C[N@H+](CC5CCCC5)CCO[C@@H]4C3)c2cn1 ZINC001232821021 1038575497 /nfs/dbraw/zinc/57/54/97/1038575497.db2.gz OFWKNQXELHJNDH-FXAWDEMLSA-N 2 2 388.943 3.539 20 0 GHADLP Clc1cc2[nH]cc(C[NH+]3C[C@@H]4C[N@@H+](CC5CCCC5)CCO[C@@H]4C3)c2cn1 ZINC001232821021 1038575501 /nfs/dbraw/zinc/57/55/01/1038575501.db2.gz OFWKNQXELHJNDH-FXAWDEMLSA-N 2 2 388.943 3.539 20 0 GHADLP Cc1cc(C)c(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)cn1 ZINC001233007645 1038767424 /nfs/dbraw/zinc/76/74/24/1038767424.db2.gz XFTXYRMVVAEERT-UHFFFAOYSA-N 2 2 376.504 3.877 20 0 GHADLP Cc1cc(C)c(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)cn1 ZINC001233007645 1038767432 /nfs/dbraw/zinc/76/74/32/1038767432.db2.gz XFTXYRMVVAEERT-UHFFFAOYSA-N 2 2 376.504 3.877 20 0 GHADLP Cc1cc(C)c(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cn1 ZINC001233007645 1038767441 /nfs/dbraw/zinc/76/74/41/1038767441.db2.gz XFTXYRMVVAEERT-UHFFFAOYSA-N 2 2 376.504 3.877 20 0 GHADLP Cc1cc(C)c(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cn1 ZINC001233007645 1038767445 /nfs/dbraw/zinc/76/74/45/1038767445.db2.gz XFTXYRMVVAEERT-UHFFFAOYSA-N 2 2 376.504 3.877 20 0 GHADLP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001233095371 1038868208 /nfs/dbraw/zinc/86/82/08/1038868208.db2.gz OAYZVTJKOUJOCV-UHFFFAOYSA-N 2 2 377.916 3.914 20 0 GHADLP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001233095371 1038868241 /nfs/dbraw/zinc/86/82/41/1038868241.db2.gz OAYZVTJKOUJOCV-UHFFFAOYSA-N 2 2 377.916 3.914 20 0 GHADLP O[C@@]1(C[NH2+]C2(c3ccccc3C(F)(F)F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252946968 1039289079 /nfs/dbraw/zinc/28/90/79/1039289079.db2.gz VYDDBYPOZJMTJV-HXUWFJFHSA-N 2 2 390.449 3.921 20 0 GHADLP O[C@@]1(C[NH2+]C2(c3ccccc3C(F)(F)F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252946968 1039289084 /nfs/dbraw/zinc/28/90/84/1039289084.db2.gz VYDDBYPOZJMTJV-HXUWFJFHSA-N 2 2 390.449 3.921 20 0 GHADLP COc1cc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)ccc1-n1cc[nH+]c1 ZINC001234058649 1039792856 /nfs/dbraw/zinc/79/28/56/1039792856.db2.gz LOUJAUHBDGLTED-UHFFFAOYSA-N 2 2 381.451 3.504 20 0 GHADLP COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234074670 1039810468 /nfs/dbraw/zinc/81/04/68/1039810468.db2.gz CVHJAPAWBIXIER-SFHVURJKSA-N 2 2 393.487 3.835 20 0 GHADLP COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234074670 1039810494 /nfs/dbraw/zinc/81/04/94/1039810494.db2.gz CVHJAPAWBIXIER-SFHVURJKSA-N 2 2 393.487 3.835 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001254296793 1040147118 /nfs/dbraw/zinc/14/71/18/1040147118.db2.gz VFIPELRKUBSKCW-KRWDZBQOSA-N 2 2 391.531 3.865 20 0 GHADLP CN1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCCOc4cc(F)ccc43)c2)CC1 ZINC001254427693 1040225286 /nfs/dbraw/zinc/22/52/86/1040225286.db2.gz AIOCGDNGFQNMNR-QFIPXVFZSA-N 2 2 383.511 3.577 20 0 GHADLP C[N@@H+]1CCC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)CC1 ZINC001254518152 1040293095 /nfs/dbraw/zinc/29/30/95/1040293095.db2.gz AZOGDTCTOPOFOW-LEWJYISDSA-N 2 2 387.568 3.635 20 0 GHADLP C[N@H+]1CCC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)CC1 ZINC001254518152 1040293110 /nfs/dbraw/zinc/29/31/10/1040293110.db2.gz AZOGDTCTOPOFOW-LEWJYISDSA-N 2 2 387.568 3.635 20 0 GHADLP C[NH+]1CCC[C@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)CC1 ZINC001254518152 1040293128 /nfs/dbraw/zinc/29/31/28/1040293128.db2.gz AZOGDTCTOPOFOW-LEWJYISDSA-N 2 2 387.568 3.635 20 0 GHADLP C[NH+]1CCC[C@H]([N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)CC1 ZINC001254518152 1040293139 /nfs/dbraw/zinc/29/31/39/1040293139.db2.gz AZOGDTCTOPOFOW-LEWJYISDSA-N 2 2 387.568 3.635 20 0 GHADLP C[N@@H+]1CCC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)CC1 ZINC001254518161 1040294168 /nfs/dbraw/zinc/29/41/68/1040294168.db2.gz AZOGDTCTOPOFOW-RTWAWAEBSA-N 2 2 387.568 3.635 20 0 GHADLP C[N@H+]1CCC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)CC1 ZINC001254518161 1040294179 /nfs/dbraw/zinc/29/41/79/1040294179.db2.gz AZOGDTCTOPOFOW-RTWAWAEBSA-N 2 2 387.568 3.635 20 0 GHADLP C[NH+]1CCC[C@@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)CC1 ZINC001254518161 1040294197 /nfs/dbraw/zinc/29/41/97/1040294197.db2.gz AZOGDTCTOPOFOW-RTWAWAEBSA-N 2 2 387.568 3.635 20 0 GHADLP C[NH+]1CCC[C@@H]([N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)CC1 ZINC001254518161 1040294209 /nfs/dbraw/zinc/29/42/09/1040294209.db2.gz AZOGDTCTOPOFOW-RTWAWAEBSA-N 2 2 387.568 3.635 20 0 GHADLP CO[C@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Br)c3)C[C@@H]21 ZINC001235029709 1040520762 /nfs/dbraw/zinc/52/07/62/1040520762.db2.gz IJPSOQNTAOSSOU-GJYPPUQNSA-N 2 2 390.325 3.882 20 0 GHADLP CO[C@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Br)c3)C[C@@H]21 ZINC001235029709 1040520775 /nfs/dbraw/zinc/52/07/75/1040520775.db2.gz IJPSOQNTAOSSOU-GJYPPUQNSA-N 2 2 390.325 3.882 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CCC([NH2+]CCCn3cc[nH+]c3)CC2)CC1 ZINC001254789252 1040548902 /nfs/dbraw/zinc/54/89/02/1040548902.db2.gz RBCJNBLVNHLSPJ-UHFFFAOYSA-N 2 2 376.545 3.823 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([NH2+][C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254839563 1040585886 /nfs/dbraw/zinc/58/58/86/1040585886.db2.gz SQJKRPXCZLAQGI-JQVVWYNYSA-N 2 2 377.573 3.630 20 0 GHADLP CCC1([NH+](C)C)CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)CC1 ZINC001462483687 1070292612 /nfs/dbraw/zinc/29/26/12/1070292612.db2.gz JHYCSVDKZXVMOK-UHFFFAOYSA-N 2 2 379.346 3.711 20 0 GHADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1c[nH]c3cc(Br)ccc13)C2 ZINC001235232813 1040713217 /nfs/dbraw/zinc/71/32/17/1040713217.db2.gz YFBLFYDDLVMDTN-NHYWBVRUSA-N 2 2 388.231 3.514 20 0 GHADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1c[nH]c3cc(Br)ccc13)C2 ZINC001235232813 1040713229 /nfs/dbraw/zinc/71/32/29/1040713229.db2.gz YFBLFYDDLVMDTN-NHYWBVRUSA-N 2 2 388.231 3.514 20 0 GHADLP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccc(Br)c3cccnc13)C2 ZINC001235405113 1040917117 /nfs/dbraw/zinc/91/71/17/1040917117.db2.gz NTXIPLBAWSJCPG-WMZOPIPTSA-N 2 2 378.289 3.521 20 0 GHADLP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc(Br)c3cccnc13)C2 ZINC001235405113 1040917119 /nfs/dbraw/zinc/91/71/19/1040917119.db2.gz NTXIPLBAWSJCPG-WMZOPIPTSA-N 2 2 378.289 3.521 20 0 GHADLP COc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235410108 1040920889 /nfs/dbraw/zinc/92/08/89/1040920889.db2.gz XSEKHIIBWSNKSA-PKTZIBPZSA-N 2 2 384.495 3.798 20 0 GHADLP COc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235410108 1040920890 /nfs/dbraw/zinc/92/08/90/1040920890.db2.gz XSEKHIIBWSNKSA-PKTZIBPZSA-N 2 2 384.495 3.798 20 0 GHADLP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@H]2CCC[NH+](Cc3ccccc3)CC2)cc1 ZINC001255390342 1040977721 /nfs/dbraw/zinc/97/77/21/1040977721.db2.gz BBQAKTFUHHVBSJ-CXSMSNRLSA-N 3 2 375.560 3.761 20 0 GHADLP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@H]2CCC[NH+](Cc3ccccc3)CC2)cc1 ZINC001255390342 1040977728 /nfs/dbraw/zinc/97/77/28/1040977728.db2.gz BBQAKTFUHHVBSJ-CXSMSNRLSA-N 3 2 375.560 3.761 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255390342 1040977731 /nfs/dbraw/zinc/97/77/31/1040977731.db2.gz BBQAKTFUHHVBSJ-CXSMSNRLSA-N 3 2 375.560 3.761 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255390342 1040977744 /nfs/dbraw/zinc/97/77/44/1040977744.db2.gz BBQAKTFUHHVBSJ-CXSMSNRLSA-N 3 2 375.560 3.761 20 0 GHADLP COc1cc(C)cc(F)c1C[N@@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235650673 1041092208 /nfs/dbraw/zinc/09/22/08/1041092208.db2.gz VAEJAVOINMAVLX-UHFFFAOYSA-N 2 2 386.515 3.777 20 0 GHADLP COc1cc(C)cc(F)c1C[N@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235650673 1041092219 /nfs/dbraw/zinc/09/22/19/1041092219.db2.gz VAEJAVOINMAVLX-UHFFFAOYSA-N 2 2 386.515 3.777 20 0 GHADLP Brc1ccc2[nH]nc(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)c2c1 ZINC001235702911 1041181399 /nfs/dbraw/zinc/18/13/99/1041181399.db2.gz WNBFMUZNTQFEBI-UHFFFAOYSA-N 2 2 377.330 3.537 20 0 GHADLP C[C@@H](CC(F)(F)F)[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001255653414 1041192696 /nfs/dbraw/zinc/19/26/96/1041192696.db2.gz ONBRMPFNLMZVNJ-GOEBONIOSA-N 2 2 377.401 3.956 20 0 GHADLP C[C@@H](CC(F)(F)F)[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001255653414 1041192704 /nfs/dbraw/zinc/19/27/04/1041192704.db2.gz ONBRMPFNLMZVNJ-GOEBONIOSA-N 2 2 377.401 3.956 20 0 GHADLP C[C@@H](CC(F)(F)F)[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001255653414 1041192713 /nfs/dbraw/zinc/19/27/13/1041192713.db2.gz ONBRMPFNLMZVNJ-GOEBONIOSA-N 2 2 377.401 3.956 20 0 GHADLP C[C@@H](CC(F)(F)F)[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001255653414 1041192718 /nfs/dbraw/zinc/19/27/18/1041192718.db2.gz ONBRMPFNLMZVNJ-GOEBONIOSA-N 2 2 377.401 3.956 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+]([C@H]2CCC[C@H](C(F)(F)F)C2)CC3)n1 ZINC001255716542 1041242866 /nfs/dbraw/zinc/24/28/66/1041242866.db2.gz MVZAIIPXJHHULT-WMZOPIPTSA-N 2 2 384.490 3.972 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+]([C@H]2CCC[C@H](C(F)(F)F)C2)CC3)n1 ZINC001255716542 1041242881 /nfs/dbraw/zinc/24/28/81/1041242881.db2.gz MVZAIIPXJHHULT-WMZOPIPTSA-N 2 2 384.490 3.972 20 0 GHADLP Brc1cccc([C@@H]2CN(Cc3ccc(-n4cc[nH+]c4)cc3)CC[NH2+]2)c1 ZINC001235790096 1041280104 /nfs/dbraw/zinc/28/01/04/1041280104.db2.gz DYNYXRVSPDDFBI-FQEVSTJZSA-N 2 2 397.320 3.781 20 0 GHADLP Nc1ccc(OC(F)(F)F)cc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001235790056 1041281706 /nfs/dbraw/zinc/28/17/06/1041281706.db2.gz ZLZPMNLYFLFEFO-ROUUACIJSA-N 2 2 391.437 3.731 20 0 GHADLP COCCC[N@H+](Cc1ccc(OCc2cccc(F)c2)cc1)[C@H]1CCC[NH2+]C1 ZINC001235805316 1041314607 /nfs/dbraw/zinc/31/46/07/1041314607.db2.gz DDTYYJXOKSFRQN-QFIPXVFZSA-N 2 2 386.511 3.995 20 0 GHADLP COCCC[N@@H+](Cc1ccc(OCc2cccc(F)c2)cc1)[C@H]1CCC[NH2+]C1 ZINC001235805316 1041314625 /nfs/dbraw/zinc/31/46/25/1041314625.db2.gz DDTYYJXOKSFRQN-QFIPXVFZSA-N 2 2 386.511 3.995 20 0 GHADLP COCCC[N@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235807200 1041316685 /nfs/dbraw/zinc/31/66/85/1041316685.db2.gz MCDJTAFXVIOQAP-JOCHJYFZSA-N 2 2 386.511 3.995 20 0 GHADLP COCCC[N@@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235807200 1041316700 /nfs/dbraw/zinc/31/67/00/1041316700.db2.gz MCDJTAFXVIOQAP-JOCHJYFZSA-N 2 2 386.511 3.995 20 0 GHADLP CC1([NH+]2CCN(Cc3cc(F)ccc3OCc3ccccc3)CC2)CC[NH2+]CC1 ZINC001235821277 1041339104 /nfs/dbraw/zinc/33/91/04/1041339104.db2.gz GLOKYGBNWMFPKR-UHFFFAOYSA-N 2 2 397.538 3.664 20 0 GHADLP Cc1ccccc1O[C@H](CC[N@@H+](C)Cc1cnc2n1CC[NH2+]C2)c1ccccc1 ZINC001235839529 1041366565 /nfs/dbraw/zinc/36/65/65/1041366565.db2.gz DHDZRGWBJSSXTG-HSZRJFAPSA-N 2 2 390.531 3.937 20 0 GHADLP Cc1ccccc1O[C@H](CC[N@H+](C)Cc1cnc2n1CC[NH2+]C2)c1ccccc1 ZINC001235839529 1041366580 /nfs/dbraw/zinc/36/65/80/1041366580.db2.gz DHDZRGWBJSSXTG-HSZRJFAPSA-N 2 2 390.531 3.937 20 0 GHADLP Nc1[nH]c(CN2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c[nH+]1 ZINC001235863023 1041394783 /nfs/dbraw/zinc/39/47/83/1041394783.db2.gz ASOSHFUXUDZCJA-FQEVSTJZSA-N 2 2 381.911 3.553 20 0 GHADLP Nc1[nH]cc(CN2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC001235863023 1041394797 /nfs/dbraw/zinc/39/47/97/1041394797.db2.gz ASOSHFUXUDZCJA-FQEVSTJZSA-N 2 2 381.911 3.553 20 0 GHADLP COCCC[N@H+](Cc1ccc(OCc2ccccc2)cc1F)C1CC[NH2+]CC1 ZINC001235939413 1041446109 /nfs/dbraw/zinc/44/61/09/1041446109.db2.gz BPQMAWILBUYJRW-UHFFFAOYSA-N 2 2 386.511 3.995 20 0 GHADLP COCCC[N@@H+](Cc1ccc(OCc2ccccc2)cc1F)C1CC[NH2+]CC1 ZINC001235939413 1041446113 /nfs/dbraw/zinc/44/61/13/1041446113.db2.gz BPQMAWILBUYJRW-UHFFFAOYSA-N 2 2 386.511 3.995 20 0 GHADLP C[N@@H+](Cc1cc(Br)ccc1OC(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC001235956764 1041464397 /nfs/dbraw/zinc/46/43/97/1041464397.db2.gz HOUKHLWDHVYYCV-NSHDSACASA-N 2 2 381.236 3.779 20 0 GHADLP C[N@H+](Cc1cc(Br)ccc1OC(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC001235956764 1041464405 /nfs/dbraw/zinc/46/44/05/1041464405.db2.gz HOUKHLWDHVYYCV-NSHDSACASA-N 2 2 381.236 3.779 20 0 GHADLP FC(F)Oc1cccc(Br)c1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236008940 1041500515 /nfs/dbraw/zinc/50/05/15/1041500515.db2.gz JBJFJSDGKXWGRM-UHFFFAOYSA-N 2 2 375.257 3.626 20 0 GHADLP [NH3+]C1CN([C@@H]2CCC[N@H+](Cc3c(Cl)c(Cl)ccc3C(F)(F)F)C2)C1 ZINC001236076605 1041523766 /nfs/dbraw/zinc/52/37/66/1041523766.db2.gz CDRHFTAHZBWROD-LLVKDONJSA-N 2 2 382.257 3.620 20 0 GHADLP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3c(Cl)c(Cl)ccc3C(F)(F)F)C2)C1 ZINC001236076605 1041523772 /nfs/dbraw/zinc/52/37/72/1041523772.db2.gz CDRHFTAHZBWROD-LLVKDONJSA-N 2 2 382.257 3.620 20 0 GHADLP CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@H+](C)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236089530 1041528256 /nfs/dbraw/zinc/52/82/56/1041528256.db2.gz AOMRECIDLPFFDU-WDSOQIARSA-N 2 2 382.495 3.567 20 0 GHADLP CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@@H+](C)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236089530 1041528266 /nfs/dbraw/zinc/52/82/66/1041528266.db2.gz AOMRECIDLPFFDU-WDSOQIARSA-N 2 2 382.495 3.567 20 0 GHADLP [NH3+]C1(C(=O)NCc2ccccc2)CC[NH+]([C@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001256112920 1041538156 /nfs/dbraw/zinc/53/81/56/1041538156.db2.gz LDCGGFATPJUACZ-GOTSBHOMSA-N 2 2 391.559 3.823 20 0 GHADLP CCCC[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC[NH2+]1 ZINC001236142088 1041565404 /nfs/dbraw/zinc/56/54/04/1041565404.db2.gz PKFKFSJUQROFCD-INIZCTEOSA-N 2 2 377.330 3.599 20 0 GHADLP C[C@H]([C@H](Oc1ccccc1)c1ccccc1)[N@H+](C)Cc1cnc2n1CC[NH2+]C2 ZINC001236161746 1041582996 /nfs/dbraw/zinc/58/29/96/1041582996.db2.gz RZIKAKOTFXPVMZ-JPYJTQIMSA-N 2 2 376.504 3.627 20 0 GHADLP C[C@H]([C@H](Oc1ccccc1)c1ccccc1)[N@@H+](C)Cc1cnc2n1CC[NH2+]C2 ZINC001236161746 1041583003 /nfs/dbraw/zinc/58/30/03/1041583003.db2.gz RZIKAKOTFXPVMZ-JPYJTQIMSA-N 2 2 376.504 3.627 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@H](N(Cc2ccccc2)C2CC2)C1 ZINC001236210366 1041622109 /nfs/dbraw/zinc/62/21/09/1041622109.db2.gz UHFZGGQFPHDTNZ-JRGCBEDISA-N 2 2 377.523 3.606 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@H](N(Cc2ccccc2)C2CC2)C1 ZINC001236210366 1041622111 /nfs/dbraw/zinc/62/21/11/1041622111.db2.gz UHFZGGQFPHDTNZ-JRGCBEDISA-N 2 2 377.523 3.606 20 0 GHADLP C[NH+]1CCC([NH2+]C2(c3ccccc3F)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001256199072 1041642877 /nfs/dbraw/zinc/64/28/77/1041642877.db2.gz GMRCDDZPGPWBIF-UHFFFAOYSA-N 2 2 391.531 3.736 20 0 GHADLP COc1ccccc1-c1nnc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC001256206530 1041649094 /nfs/dbraw/zinc/64/90/94/1041649094.db2.gz YMELXVPOVWEJSZ-UHFFFAOYSA-N 2 2 393.491 3.658 20 0 GHADLP Nc1ccc(F)cc1C[N@H+](Cc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC001236377906 1041689769 /nfs/dbraw/zinc/68/97/69/1041689769.db2.gz IDVDJVHFINDJEM-UHFFFAOYSA-N 2 2 392.316 3.925 20 0 GHADLP Nc1ccc(F)cc1C[N@@H+](Cc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC001236377906 1041689771 /nfs/dbraw/zinc/68/97/71/1041689771.db2.gz IDVDJVHFINDJEM-UHFFFAOYSA-N 2 2 392.316 3.925 20 0 GHADLP CCOCC[N@H+](Cc1ccc(-c2ccc(F)cc2F)nc1)C1CC[NH2+]CC1 ZINC001236460945 1041723718 /nfs/dbraw/zinc/72/37/18/1041723718.db2.gz HZVBLMISRWIKIP-UHFFFAOYSA-N 2 2 375.463 3.617 20 0 GHADLP CCOCC[N@@H+](Cc1ccc(-c2ccc(F)cc2F)nc1)C1CC[NH2+]CC1 ZINC001236460945 1041723728 /nfs/dbraw/zinc/72/37/28/1041723728.db2.gz HZVBLMISRWIKIP-UHFFFAOYSA-N 2 2 375.463 3.617 20 0 GHADLP Cc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc(C)c1I ZINC001236471118 1041729941 /nfs/dbraw/zinc/72/99/41/1041729941.db2.gz VEFIAOQXSXIPHB-MRXNPFEDSA-N 2 2 386.321 3.870 20 0 GHADLP Cc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc(C)c1I ZINC001236471118 1041729948 /nfs/dbraw/zinc/72/99/48/1041729948.db2.gz VEFIAOQXSXIPHB-MRXNPFEDSA-N 2 2 386.321 3.870 20 0 GHADLP C[C@@H]1C[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001256466127 1041746383 /nfs/dbraw/zinc/74/63/83/1041746383.db2.gz XKDBMRGQEYWIIZ-NCXUSEDFSA-N 2 2 388.556 3.946 20 0 GHADLP COc1cccc(O[C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)n1 ZINC001236910555 1041952559 /nfs/dbraw/zinc/95/25/59/1041952559.db2.gz RSFHBZGSPAPITG-INIZCTEOSA-N 2 2 384.867 3.583 20 0 GHADLP COc1cccc(O[C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)n1 ZINC001236910555 1041952561 /nfs/dbraw/zinc/95/25/61/1041952561.db2.gz RSFHBZGSPAPITG-INIZCTEOSA-N 2 2 384.867 3.583 20 0 GHADLP CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236915856 1041956237 /nfs/dbraw/zinc/95/62/37/1041956237.db2.gz FTEGSYULQYJCKI-HXUWFJFHSA-N 2 2 388.943 3.601 20 0 GHADLP CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236915856 1041956240 /nfs/dbraw/zinc/95/62/40/1041956240.db2.gz FTEGSYULQYJCKI-HXUWFJFHSA-N 2 2 388.943 3.601 20 0 GHADLP Brc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c2nsnc21 ZINC001237159890 1042070969 /nfs/dbraw/zinc/07/09/69/1042070969.db2.gz FKYMHBOKFGPMRA-CYBMUJFWSA-N 2 2 381.343 3.560 20 0 GHADLP Brc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c2nsnc21 ZINC001237159890 1042070972 /nfs/dbraw/zinc/07/09/72/1042070972.db2.gz FKYMHBOKFGPMRA-CYBMUJFWSA-N 2 2 381.343 3.560 20 0 GHADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(Br)nc(Br)c1 ZINC001237517718 1042246587 /nfs/dbraw/zinc/24/65/87/1042246587.db2.gz CFDHYZNNQLYHTF-UHFFFAOYSA-N 2 2 393.167 3.770 20 0 GHADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(Br)nc(Br)c1 ZINC001237517718 1042246591 /nfs/dbraw/zinc/24/65/91/1042246591.db2.gz CFDHYZNNQLYHTF-UHFFFAOYSA-N 2 2 393.167 3.770 20 0 GHADLP CCc1[nH]ncc1C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc(OC)c1)CC2 ZINC001237649016 1042302863 /nfs/dbraw/zinc/30/28/63/1042302863.db2.gz NXZRCRYSNAIQEI-UHFFFAOYSA-N 2 2 382.552 3.859 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cccc3c1OCC3)CC2 ZINC001237743953 1042349691 /nfs/dbraw/zinc/34/96/91/1042349691.db2.gz YVEXXJGDRBQNPB-UHFFFAOYSA-N 2 2 381.520 3.857 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cccc3c1OCC3)CC2 ZINC001237743953 1042349696 /nfs/dbraw/zinc/34/96/96/1042349696.db2.gz YVEXXJGDRBQNPB-UHFFFAOYSA-N 2 2 381.520 3.857 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4Oc4cnccn4)C[C@@H]3C2)c1 ZINC001238011108 1042457993 /nfs/dbraw/zinc/45/79/93/1042457993.db2.gz JHKKOSYWGWVXGZ-RTBURBONSA-N 2 2 392.528 3.894 20 0 GHADLP CCOC[C@H]1C[N@H+](Cc2cccc3c[nH+]cn32)Cc2cn(CC3CCCC3)nc21 ZINC001238105757 1042493391 /nfs/dbraw/zinc/49/33/91/1042493391.db2.gz UJUIWPSQYTVFMP-HXUWFJFHSA-N 2 2 393.535 3.857 20 0 GHADLP CCOC[C@H]1C[N@@H+](Cc2cccc3c[nH+]cn32)Cc2cn(CC3CCCC3)nc21 ZINC001238105757 1042493396 /nfs/dbraw/zinc/49/33/96/1042493396.db2.gz UJUIWPSQYTVFMP-HXUWFJFHSA-N 2 2 393.535 3.857 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)cnc1OC(C)C ZINC001238378804 1042577046 /nfs/dbraw/zinc/57/70/46/1042577046.db2.gz YRRQFLHTEFWNOU-UHFFFAOYSA-N 2 2 397.567 3.541 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)cnc1OC(C)C ZINC001238378804 1042577048 /nfs/dbraw/zinc/57/70/48/1042577048.db2.gz YRRQFLHTEFWNOU-UHFFFAOYSA-N 2 2 397.567 3.541 20 0 GHADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001238682096 1042682999 /nfs/dbraw/zinc/68/29/99/1042682999.db2.gz GTBPNNPNKXOVCI-UHFFFAOYSA-N 2 2 389.927 3.719 20 0 GHADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001238682096 1042683005 /nfs/dbraw/zinc/68/30/05/1042683005.db2.gz GTBPNNPNKXOVCI-UHFFFAOYSA-N 2 2 389.927 3.719 20 0 GHADLP c1cc(-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)ccc1C[NH+]1CCOCC1 ZINC001240858805 1042959595 /nfs/dbraw/zinc/95/95/95/1042959595.db2.gz BJCOXGQMPFXUQM-UHFFFAOYSA-N 2 2 378.516 3.507 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001256488889 1043425011 /nfs/dbraw/zinc/42/50/11/1043425011.db2.gz LETJBJOKHIKNRK-RCCFBDPRSA-N 2 2 375.513 3.631 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001256488889 1043425016 /nfs/dbraw/zinc/42/50/16/1043425016.db2.gz LETJBJOKHIKNRK-RCCFBDPRSA-N 2 2 375.513 3.631 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001256488687 1043425311 /nfs/dbraw/zinc/42/53/11/1043425311.db2.gz LETJBJOKHIKNRK-KZNAEPCWSA-N 2 2 375.513 3.631 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001256488687 1043425317 /nfs/dbraw/zinc/42/53/17/1043425317.db2.gz LETJBJOKHIKNRK-KZNAEPCWSA-N 2 2 375.513 3.631 20 0 GHADLP Cc1noc([C@@H]2C[C@@H]3CC[NH+]([C@@H]4CC[N@H+](Cc5ccccc5)[C@@H](C)C4)C[C@H]3O2)n1 ZINC001256544680 1043499875 /nfs/dbraw/zinc/49/98/75/1043499875.db2.gz NNWYXEWKZCOYJR-GSNCRSPSSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@@H]2C[C@@H]3CC[NH+]([C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H](C)C4)C[C@H]3O2)n1 ZINC001256544680 1043499882 /nfs/dbraw/zinc/49/98/82/1043499882.db2.gz NNWYXEWKZCOYJR-GSNCRSPSSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@@H]2C[C@@H]3CC[N@@H+]([C@@H]4CC[NH+](Cc5ccccc5)[C@@H](C)C4)C[C@H]3O2)n1 ZINC001256544680 1043499890 /nfs/dbraw/zinc/49/98/90/1043499890.db2.gz NNWYXEWKZCOYJR-GSNCRSPSSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@@H]2C[C@@H]3CC[N@H+]([C@@H]4CC[NH+](Cc5ccccc5)[C@@H](C)C4)C[C@H]3O2)n1 ZINC001256544680 1043499901 /nfs/dbraw/zinc/49/99/01/1043499901.db2.gz NNWYXEWKZCOYJR-GSNCRSPSSA-N 2 2 396.535 3.583 20 0 GHADLP C[C@H]1C[C@@H](N2CC[NH+](Cc3cccc(F)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256549250 1043511589 /nfs/dbraw/zinc/51/15/89/1043511589.db2.gz FZMSDDWIEDHDCA-RDPSFJRHSA-N 2 2 381.539 3.996 20 0 GHADLP C[C@H]1C[C@@H](N2CC[NH+](Cc3cccc(F)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256549250 1043511595 /nfs/dbraw/zinc/51/15/95/1043511595.db2.gz FZMSDDWIEDHDCA-RDPSFJRHSA-N 2 2 381.539 3.996 20 0 GHADLP Cc1cncnc1O[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556944 1043527325 /nfs/dbraw/zinc/52/73/25/1043527325.db2.gz JINORXZGJGWEHX-CEMLEFRQSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cncnc1O[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556944 1043527331 /nfs/dbraw/zinc/52/73/31/1043527331.db2.gz JINORXZGJGWEHX-CEMLEFRQSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cncnc1O[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556944 1043527338 /nfs/dbraw/zinc/52/73/38/1043527338.db2.gz JINORXZGJGWEHX-CEMLEFRQSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cncnc1O[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556944 1043527342 /nfs/dbraw/zinc/52/73/42/1043527342.db2.gz JINORXZGJGWEHX-CEMLEFRQSA-N 2 2 380.536 3.681 20 0 GHADLP COc1cccnc1O[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256557612 1043531015 /nfs/dbraw/zinc/53/10/15/1043531015.db2.gz NSHAGYUXMBBHFY-CEWLAPEOSA-N 2 2 381.520 3.596 20 0 GHADLP COc1cccnc1O[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256557612 1043531021 /nfs/dbraw/zinc/53/10/21/1043531021.db2.gz NSHAGYUXMBBHFY-CEWLAPEOSA-N 2 2 381.520 3.596 20 0 GHADLP COc1cccnc1O[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256557612 1043531030 /nfs/dbraw/zinc/53/10/30/1043531030.db2.gz NSHAGYUXMBBHFY-CEWLAPEOSA-N 2 2 381.520 3.596 20 0 GHADLP COc1cccnc1O[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256557612 1043531036 /nfs/dbraw/zinc/53/10/36/1043531036.db2.gz NSHAGYUXMBBHFY-CEWLAPEOSA-N 2 2 381.520 3.596 20 0 GHADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)Cc2ccccc21 ZINC001256559249 1043531645 /nfs/dbraw/zinc/53/16/45/1043531645.db2.gz KATCNIMQCZNQHW-JMUQELJHSA-N 2 2 378.516 3.812 20 0 GHADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)Cc2ccccc21 ZINC001256559249 1043531649 /nfs/dbraw/zinc/53/16/49/1043531649.db2.gz KATCNIMQCZNQHW-JMUQELJHSA-N 2 2 378.516 3.812 20 0 GHADLP COC(=O)[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)Cc2ccccc21 ZINC001256559249 1043531660 /nfs/dbraw/zinc/53/16/60/1043531660.db2.gz KATCNIMQCZNQHW-JMUQELJHSA-N 2 2 378.516 3.812 20 0 GHADLP COC(=O)[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)Cc2ccccc21 ZINC001256559249 1043531673 /nfs/dbraw/zinc/53/16/73/1043531673.db2.gz KATCNIMQCZNQHW-JMUQELJHSA-N 2 2 378.516 3.812 20 0 GHADLP O=C1CCCCCN1c1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC001256601908 1043566048 /nfs/dbraw/zinc/56/60/48/1043566048.db2.gz KDGDJJOGYRCIBT-UHFFFAOYSA-N 2 2 392.547 3.743 20 0 GHADLP FC(F)(F)c1nc([C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)no1 ZINC001256610379 1043574198 /nfs/dbraw/zinc/57/41/98/1043574198.db2.gz DALXUZAMBYWPKW-INIZCTEOSA-N 2 2 394.441 3.932 20 0 GHADLP FC(F)(F)c1nc([C@H]2CCC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)no1 ZINC001256610379 1043574210 /nfs/dbraw/zinc/57/42/10/1043574210.db2.gz DALXUZAMBYWPKW-INIZCTEOSA-N 2 2 394.441 3.932 20 0 GHADLP COc1cccc2c1CC[C@H]([NH2+]CCSCc1csc(C[NH+](C)C)n1)C2 ZINC001256634455 1043584342 /nfs/dbraw/zinc/58/43/42/1043584342.db2.gz BOCKKNUJJDSGLB-INIZCTEOSA-N 2 2 391.606 3.594 20 0 GHADLP Fc1ccc(Cl)c(C[N@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1 ZINC001278968789 1043701044 /nfs/dbraw/zinc/70/10/44/1043701044.db2.gz QYZIIGWJRNBRHV-CALCHBBNSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1 ZINC001278968789 1043701058 /nfs/dbraw/zinc/70/10/58/1043701058.db2.gz QYZIIGWJRNBRHV-CALCHBBNSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1ccc(Cl)c(C[NH+]2C[C@@H]3CC[N@@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1 ZINC001278968789 1043701066 /nfs/dbraw/zinc/70/10/66/1043701066.db2.gz QYZIIGWJRNBRHV-CALCHBBNSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1ccc(Cl)c(C[NH+]2C[C@@H]3CC[N@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1 ZINC001278968789 1043701081 /nfs/dbraw/zinc/70/10/81/1043701081.db2.gz QYZIIGWJRNBRHV-CALCHBBNSA-N 3 2 376.907 3.520 20 0 GHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001256882166 1043719330 /nfs/dbraw/zinc/71/93/30/1043719330.db2.gz HAYJYEQRHPBUHZ-INIZCTEOSA-N 2 2 384.490 3.779 20 0 GHADLP CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001257037996 1043813594 /nfs/dbraw/zinc/81/35/94/1043813594.db2.gz FOJDGARYDZHOQN-YOEHRIQHSA-N 2 2 384.442 3.687 20 0 GHADLP CCOC(=O)[C@H]1CC[C@H]([NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C1 ZINC001257062122 1043825325 /nfs/dbraw/zinc/82/53/25/1043825325.db2.gz KFYRAVRTKLVEHS-RDJZCZTQSA-N 2 2 387.911 3.742 20 0 GHADLP CC(C)[C@@H]1C[C@H]([N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257187928 1043926295 /nfs/dbraw/zinc/92/62/95/1043926295.db2.gz SLPSWKFMOXETRK-NJYVYQBISA-N 2 2 387.568 3.796 20 0 GHADLP CC(C)[C@@H]1C[C@H]([N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257187928 1043926300 /nfs/dbraw/zinc/92/63/00/1043926300.db2.gz SLPSWKFMOXETRK-NJYVYQBISA-N 2 2 387.568 3.796 20 0 GHADLP CC1CC[NH+](CC(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC001292895911 1043934247 /nfs/dbraw/zinc/93/42/47/1043934247.db2.gz CYBBMTCFYPBYAQ-HXUWFJFHSA-N 2 2 377.960 3.543 20 0 GHADLP CC1CC[NH+](CC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC001292895911 1043934255 /nfs/dbraw/zinc/93/42/55/1043934255.db2.gz CYBBMTCFYPBYAQ-HXUWFJFHSA-N 2 2 377.960 3.543 20 0 GHADLP CC(C)[C@@H]1C[C@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CCN1C(=O)OC(C)(C)C ZINC001257206469 1043936673 /nfs/dbraw/zinc/93/66/73/1043936673.db2.gz UEUBMZDPFMSUSE-KURKYZTESA-N 2 2 376.545 3.947 20 0 GHADLP CCCCCC[C@@H](C)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001257372713 1043972939 /nfs/dbraw/zinc/97/29/39/1043972939.db2.gz PAYHJVRXWHNEAQ-OAQYLSRUSA-N 3 2 378.649 3.522 20 0 GHADLP COCC[N@H+](C1CCC(C2CCC3(CC2)OCCO3)CC1)C1CC[NH+](C)CC1 ZINC001257498049 1044022773 /nfs/dbraw/zinc/02/27/73/1044022773.db2.gz UZYHVIWMEVDMNF-UHFFFAOYSA-N 2 2 394.600 3.521 20 0 GHADLP COCC[N@@H+](C1CCC(C2CCC3(CC2)OCCO3)CC1)C1CC[NH+](C)CC1 ZINC001257498049 1044022785 /nfs/dbraw/zinc/02/27/85/1044022785.db2.gz UZYHVIWMEVDMNF-UHFFFAOYSA-N 2 2 394.600 3.521 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)Cc3ccc(Br)cc3)CC2)c1 ZINC001257570156 1044056510 /nfs/dbraw/zinc/05/65/10/1044056510.db2.gz IIEUEKQFAGDDAS-OAHLLOKOSA-N 2 2 390.325 3.606 20 0 GHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001257804518 1044187672 /nfs/dbraw/zinc/18/76/72/1044187672.db2.gz NQWIERHZGFSEJS-XQBPLPMBSA-N 2 2 379.589 3.876 20 0 GHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001257804518 1044187682 /nfs/dbraw/zinc/18/76/82/1044187682.db2.gz NQWIERHZGFSEJS-XQBPLPMBSA-N 2 2 379.589 3.876 20 0 GHADLP C[NH+](C)CCC[NH+](CCC[NH+](C)C)C1CCC(OCc2ccccc2)CC1 ZINC001257833784 1044209760 /nfs/dbraw/zinc/20/97/60/1044209760.db2.gz HNSBLNHTLISOGM-UHFFFAOYSA-N 3 2 375.601 3.720 20 0 GHADLP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2cccs2)s1 ZINC001279055762 1044243854 /nfs/dbraw/zinc/24/38/54/1044243854.db2.gz YUSKLFJEDHPSFN-MQVJKMGUSA-N 2 2 389.590 3.650 20 0 GHADLP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2cccs2)s1 ZINC001279055762 1044243863 /nfs/dbraw/zinc/24/38/63/1044243863.db2.gz YUSKLFJEDHPSFN-MQVJKMGUSA-N 2 2 389.590 3.650 20 0 GHADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257972637 1044293917 /nfs/dbraw/zinc/29/39/17/1044293917.db2.gz HYTCBAUTZISUKR-RLLQIKCJSA-N 2 2 375.557 3.537 20 0 GHADLP Cc1[nH+]cn([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)c1CC[NH3+] ZINC001257974707 1044299180 /nfs/dbraw/zinc/29/91/80/1044299180.db2.gz ZCSSCWGQVGZCSB-VQTJNVASSA-N 2 2 398.551 3.876 20 0 GHADLP CC(C)C[C@H](C)C[C@@H](C)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001258073037 1044383959 /nfs/dbraw/zinc/38/39/59/1044383959.db2.gz APOQQQYNMDCJPV-FCHUYYIVSA-N 3 2 392.676 3.623 20 0 GHADLP COC(=O)C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(OC)c1 ZINC001258137207 1044421851 /nfs/dbraw/zinc/42/18/51/1044421851.db2.gz FBZIWUDAUREYCW-HSZRJFAPSA-N 2 2 396.531 3.596 20 0 GHADLP Fc1ccc(C[NH+]2CCN(C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC001258141051 1044427326 /nfs/dbraw/zinc/42/73/26/1044427326.db2.gz RZFNSLRLLDXEPS-UHFFFAOYSA-N 2 2 381.539 3.650 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)CC2)cc1 ZINC001258146218 1044435281 /nfs/dbraw/zinc/43/52/81/1044435281.db2.gz SSVIGESDZVTJIW-PLQXJYEYSA-N 3 2 389.587 3.757 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)CC2)cc1 ZINC001258146218 1044435286 /nfs/dbraw/zinc/43/52/86/1044435286.db2.gz SSVIGESDZVTJIW-PLQXJYEYSA-N 3 2 389.587 3.757 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)CC2)cc1 ZINC001258146218 1044435295 /nfs/dbraw/zinc/43/52/95/1044435295.db2.gz SSVIGESDZVTJIW-PLQXJYEYSA-N 3 2 389.587 3.757 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)CC2)cc1 ZINC001258146218 1044435299 /nfs/dbraw/zinc/43/52/99/1044435299.db2.gz SSVIGESDZVTJIW-PLQXJYEYSA-N 3 2 389.587 3.757 20 0 GHADLP CCCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001258709066 1044725813 /nfs/dbraw/zinc/72/58/13/1044725813.db2.gz GIWNGNVCEVVEJS-SGNDLWITSA-N 2 2 380.580 3.975 20 0 GHADLP CCCC[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001258709066 1044725824 /nfs/dbraw/zinc/72/58/24/1044725824.db2.gz GIWNGNVCEVVEJS-SGNDLWITSA-N 2 2 380.580 3.975 20 0 GHADLP CCCC[C@@H](Cc1ccccc1)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001258709066 1044725836 /nfs/dbraw/zinc/72/58/36/1044725836.db2.gz GIWNGNVCEVVEJS-SGNDLWITSA-N 2 2 380.580 3.975 20 0 GHADLP CCCC[C@@H](Cc1ccccc1)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001258709066 1044725843 /nfs/dbraw/zinc/72/58/43/1044725843.db2.gz GIWNGNVCEVVEJS-SGNDLWITSA-N 2 2 380.580 3.975 20 0 GHADLP C[C@@H](Cc1cccc(Cl)c1)[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001258746983 1044743143 /nfs/dbraw/zinc/74/31/43/1044743143.db2.gz FNTJESLSZLZYNQ-KRWDZBQOSA-N 2 2 391.987 3.536 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC001294800345 1044797604 /nfs/dbraw/zinc/79/76/04/1044797604.db2.gz CSGRBQHFHOTVBT-MAODMQOUSA-N 2 2 385.939 3.722 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC001294800345 1044797619 /nfs/dbraw/zinc/79/76/19/1044797619.db2.gz CSGRBQHFHOTVBT-MAODMQOUSA-N 2 2 385.939 3.722 20 0 GHADLP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC001258905070 1044860308 /nfs/dbraw/zinc/86/03/08/1044860308.db2.gz UCUHFSHKIJDRFB-IBGZPJMESA-N 3 2 389.584 3.538 20 0 GHADLP C[C@@H](C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)[NH+]1CCCCCC1 ZINC001298340805 1045778360 /nfs/dbraw/zinc/77/83/60/1045778360.db2.gz IZYPOMMKQUBMFW-SFHVURJKSA-N 2 2 378.520 3.847 20 0 GHADLP Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1C ZINC001262558758 1046268504 /nfs/dbraw/zinc/26/85/04/1046268504.db2.gz PCOVSEWCSOYBHW-FCHUYYIVSA-N 2 2 393.531 3.659 20 0 GHADLP CC(C)Cc1ccc(CCC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cc1 ZINC001302317526 1046907721 /nfs/dbraw/zinc/90/77/21/1046907721.db2.gz XXOCSOWDFMKAKI-UHFFFAOYSA-N 2 2 380.536 3.603 20 0 GHADLP C[NH+](C)Cc1cc(NC(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)ccn1 ZINC001263648285 1047019696 /nfs/dbraw/zinc/01/96/96/1047019696.db2.gz NLIXSPWOAQNLPY-INIZCTEOSA-N 2 2 384.528 3.506 20 0 GHADLP COc1ccc(F)c(C[NH2+][C@@]23CC[C@@](NCC[NH+](C)C)(C2)CCC3)c1Cl ZINC001279150641 1047732377 /nfs/dbraw/zinc/73/23/77/1047732377.db2.gz OEZPPWZAGPJHJO-UXHICEINSA-N 2 2 383.939 3.574 20 0 GHADLP Cc1cccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)c1Br ZINC001279363327 1047780525 /nfs/dbraw/zinc/78/05/25/1047780525.db2.gz TVUHLZNOWWRBHH-UHFFFAOYSA-N 2 2 394.401 3.607 20 0 GHADLP Clc1cncc(Cl)c1CN[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001279391185 1047791361 /nfs/dbraw/zinc/79/13/61/1047791361.db2.gz XIIYCUBZOWRLNY-MOPGFXCFSA-N 2 2 394.350 3.810 20 0 GHADLP O=c1cccc(C[NH+]2CC3(C2)CC[NH+](Cc2cccc(Cl)c2F)CC3)[nH]1 ZINC001279439551 1047807009 /nfs/dbraw/zinc/80/70/09/1047807009.db2.gz ONNMDELIYNSQKL-UHFFFAOYSA-N 2 2 375.875 3.678 20 0 GHADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ncccc1Br)Cc1ccccc12 ZINC001279550922 1047838652 /nfs/dbraw/zinc/83/86/52/1047838652.db2.gz GVUVIAPOTTUXLW-UHFFFAOYSA-N 2 2 386.337 3.823 20 0 GHADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ncccc1Br)Cc1ccccc12 ZINC001279550922 1047838660 /nfs/dbraw/zinc/83/86/60/1047838660.db2.gz GVUVIAPOTTUXLW-UHFFFAOYSA-N 2 2 386.337 3.823 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)n1cc[nH+]c1 ZINC001305106210 1047905833 /nfs/dbraw/zinc/90/58/33/1047905833.db2.gz FURWKHDNONVIEM-WZYRSQIMSA-N 2 2 394.563 3.887 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)n1cc[nH+]c1 ZINC001305106210 1047905838 /nfs/dbraw/zinc/90/58/38/1047905838.db2.gz FURWKHDNONVIEM-WZYRSQIMSA-N 2 2 394.563 3.887 20 0 GHADLP CCN(C(=O)C1CC[NH+](C2CC[NH+](Cc3ccsc3)CC2)CC1)C(C)C ZINC001279782755 1047949299 /nfs/dbraw/zinc/94/92/99/1047949299.db2.gz LKTAFQZIXLADKK-UHFFFAOYSA-N 2 2 377.598 3.681 20 0 GHADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001306831128 1048919465 /nfs/dbraw/zinc/91/94/65/1048919465.db2.gz DETCWQQHOQKISW-INIZCTEOSA-N 2 2 386.462 3.539 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001308035100 1049784981 /nfs/dbraw/zinc/78/49/81/1049784981.db2.gz RXWKUFKIHQNJFD-QUCCMNQESA-N 2 2 384.524 3.861 20 0 GHADLP CC(C)C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)n1cc[nH+]c1 ZINC001290341216 1049808768 /nfs/dbraw/zinc/80/87/68/1049808768.db2.gz PZYXVBIWTHMBKI-FQEVSTJZSA-N 2 2 388.943 3.905 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2nc(Br)c[nH]2)C1 ZINC001308204449 1049911780 /nfs/dbraw/zinc/91/17/80/1049911780.db2.gz QSKKQXKKMHFXJM-GASCZTMLSA-N 2 2 391.357 3.940 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2nc(Br)c[nH]2)C1 ZINC001308204449 1049911781 /nfs/dbraw/zinc/91/17/81/1049911781.db2.gz QSKKQXKKMHFXJM-GASCZTMLSA-N 2 2 391.357 3.940 20 0 GHADLP Brc1cc(C[NH2+]CCCCNc2cccc[nH+]2)cc2c1OCCO2 ZINC001308245137 1049925090 /nfs/dbraw/zinc/92/50/90/1049925090.db2.gz YQPNPPGMGLDFLB-UHFFFAOYSA-N 2 2 392.297 3.597 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3c(Cl)nc4ccccn43)CC2)cc1 ZINC001308288410 1049938843 /nfs/dbraw/zinc/93/88/43/1049938843.db2.gz WKQHIDOCCPSBDC-UHFFFAOYSA-N 2 2 383.927 3.812 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCC(C)(C)C[N@H+](C)Cc3ccccc3)[nH+]c2)C1 ZINC001308337511 1049952363 /nfs/dbraw/zinc/95/23/63/1049952363.db2.gz KWWKERSGDDWWJE-QFIPXVFZSA-N 3 2 395.595 3.792 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCC(C)(C)C[N@@H+](C)Cc3ccccc3)[nH+]c2)C1 ZINC001308337511 1049952364 /nfs/dbraw/zinc/95/23/64/1049952364.db2.gz KWWKERSGDDWWJE-QFIPXVFZSA-N 3 2 395.595 3.792 20 0 GHADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)n1 ZINC001308450366 1049979180 /nfs/dbraw/zinc/97/91/80/1049979180.db2.gz HHERANINTQTVJF-ZWKOTPCHSA-N 2 2 378.442 3.998 20 0 GHADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)cc2)n1 ZINC001308450366 1049979183 /nfs/dbraw/zinc/97/91/83/1049979183.db2.gz HHERANINTQTVJF-ZWKOTPCHSA-N 2 2 378.442 3.998 20 0 GHADLP COc1ccccc1/C=C/C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001308512767 1049994421 /nfs/dbraw/zinc/99/44/21/1049994421.db2.gz KAQYLSAFUSSCBL-XYOKQWHBSA-N 2 2 380.532 3.979 20 0 GHADLP COc1ccccc1/C=C/C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001308512767 1049994423 /nfs/dbraw/zinc/99/44/23/1049994423.db2.gz KAQYLSAFUSSCBL-XYOKQWHBSA-N 2 2 380.532 3.979 20 0 GHADLP Cn1cnc2cc(C[NH2+]Cc3ccc(OCCn4cc[nH+]c4)c(Cl)c3)ccc21 ZINC001308522921 1049998380 /nfs/dbraw/zinc/99/83/80/1049998380.db2.gz DJLFLTNYYUYTGF-UHFFFAOYSA-N 2 2 395.894 3.792 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nccc2c1CCCC2 ZINC001308599197 1050026343 /nfs/dbraw/zinc/02/63/43/1050026343.db2.gz WZHHZYJXQGQEBF-UHFFFAOYSA-N 3 2 384.612 3.589 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nccc2c1CCCC2 ZINC001308599197 1050026350 /nfs/dbraw/zinc/02/63/50/1050026350.db2.gz WZHHZYJXQGQEBF-UHFFFAOYSA-N 3 2 384.612 3.589 20 0 GHADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H](CC(N)=O)c3cccc(Cl)c3)CC2)C1 ZINC001308673931 1050054913 /nfs/dbraw/zinc/05/49/13/1050054913.db2.gz FYXOCDLPZDEUNN-UIAACRFSSA-N 2 2 377.960 3.889 20 0 GHADLP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC001308897367 1050146383 /nfs/dbraw/zinc/14/63/83/1050146383.db2.gz HASZZIOQJUXLPS-OCCSQVGLSA-N 2 2 378.866 3.725 20 0 GHADLP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC001308897367 1050146392 /nfs/dbraw/zinc/14/63/92/1050146392.db2.gz HASZZIOQJUXLPS-OCCSQVGLSA-N 2 2 378.866 3.725 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2)c1C ZINC001327475547 1050191467 /nfs/dbraw/zinc/19/14/67/1050191467.db2.gz QBOSGQIQXDIJEE-NRFANRHFSA-N 2 2 381.520 3.686 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)c1C ZINC001327475547 1050191475 /nfs/dbraw/zinc/19/14/75/1050191475.db2.gz QBOSGQIQXDIJEE-NRFANRHFSA-N 2 2 381.520 3.686 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC001331789681 1051373534 /nfs/dbraw/zinc/37/35/34/1051373534.db2.gz DHZVEHRSFWLUOT-AWEZNQCLSA-N 2 2 385.405 3.955 20 0 GHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001332023901 1051440645 /nfs/dbraw/zinc/44/06/45/1051440645.db2.gz DCDUMYCBNCSLBO-UHFFFAOYSA-N 2 2 396.579 3.590 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@@H](Cn3cc[nH+]c3)c3ccccc3)C2)C1 ZINC001332021670 1051440741 /nfs/dbraw/zinc/44/07/41/1051440741.db2.gz PENOTYMZTFCWEX-IBGZPJMESA-N 2 2 382.508 3.614 20 0 GHADLP CC[NH+](CC)CC[C@@H](NC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC001311775964 1052390070 /nfs/dbraw/zinc/39/00/70/1052390070.db2.gz AESNIUDGUIMJQV-HXUWFJFHSA-N 2 2 398.551 3.979 20 0 GHADLP CC[NH+](CC)CCOc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001318519050 1054694496 /nfs/dbraw/zinc/69/44/96/1054694496.db2.gz YDHWWPXNIZRITP-UHFFFAOYSA-N 3 2 393.491 3.549 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1csc(-c2cccs2)n1 ZINC001318584102 1054731604 /nfs/dbraw/zinc/73/16/04/1054731604.db2.gz DVUFRECGLRLAPY-UHFFFAOYSA-N 2 2 381.486 3.942 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1cc(F)c(F)c(F)c1 ZINC001319290054 1055160345 /nfs/dbraw/zinc/16/03/45/1055160345.db2.gz MPFNUHJPCYATSJ-HNNXBMFYSA-N 2 2 377.454 3.702 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)N(C)[C@H](C)c2ccc(F)cc2)[nH+]1 ZINC001319489119 1055284863 /nfs/dbraw/zinc/28/48/63/1055284863.db2.gz GWNUWFIILOKKSN-YLJYHZDGSA-N 2 2 384.499 3.625 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)N(C)[C@H](C)c2ccc(F)cc2)[nH+]1 ZINC001319489119 1055284877 /nfs/dbraw/zinc/28/48/77/1055284877.db2.gz GWNUWFIILOKKSN-YLJYHZDGSA-N 2 2 384.499 3.625 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001319615955 1055360472 /nfs/dbraw/zinc/36/04/72/1055360472.db2.gz XDOVMBSVHHEMRX-INIZCTEOSA-N 2 2 377.231 3.555 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC001319833602 1055496769 /nfs/dbraw/zinc/49/67/69/1055496769.db2.gz WVRHWLJSEUHWLA-UHFFFAOYSA-N 2 2 378.432 3.783 20 0 GHADLP Oc1ccc(C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)cc1F ZINC001200714166 1056795863 /nfs/dbraw/zinc/79/58/63/1056795863.db2.gz IAPOXAUTLKLQDK-UHFFFAOYSA-N 2 2 375.831 3.750 20 0 GHADLP Cc1c([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cnn1C(C)(C)C ZINC001324406473 1057126653 /nfs/dbraw/zinc/12/66/53/1057126653.db2.gz BSJUQZBFZIGFHN-SFHVURJKSA-N 2 2 383.584 3.545 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC001325117147 1057277743 /nfs/dbraw/zinc/27/77/43/1057277743.db2.gz HFGVRIXBSPSSMC-IBGZPJMESA-N 2 2 392.503 3.560 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC001325117147 1057277747 /nfs/dbraw/zinc/27/77/47/1057277747.db2.gz HFGVRIXBSPSSMC-IBGZPJMESA-N 2 2 392.503 3.560 20 0 GHADLP COc1ccc([C@@H]([NH2+]C2CCN(c3cccc(OC)c3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC001325715721 1057354443 /nfs/dbraw/zinc/35/44/43/1057354443.db2.gz DDOQUOALEZMWMG-BJKOFHAPSA-N 2 2 395.547 3.756 20 0 GHADLP CC(C)Oc1ccc([C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)[NH+](C)C)cc1 ZINC000849077932 1057583103 /nfs/dbraw/zinc/58/31/03/1057583103.db2.gz QFXUKYJYNUQMDG-SFTDATJTSA-N 2 2 396.535 3.714 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001444204215 1059282554 /nfs/dbraw/zinc/28/25/54/1059282554.db2.gz IQCQIJOKFNZSNZ-GOSISDBHSA-N 2 2 382.370 3.624 20 0 GHADLP CC[N@H+](CC(=O)N(C)CCCC[NH+]1CCCCC1)Cc1ccccc1Cl ZINC001455197767 1062044449 /nfs/dbraw/zinc/04/44/49/1062044449.db2.gz DLEMUYSFJVYKHG-UHFFFAOYSA-N 2 2 379.976 3.886 20 0 GHADLP CC[N@@H+](CC(=O)N(C)CCCC[NH+]1CCCCC1)Cc1ccccc1Cl ZINC001455197767 1062044469 /nfs/dbraw/zinc/04/44/69/1062044469.db2.gz DLEMUYSFJVYKHG-UHFFFAOYSA-N 2 2 379.976 3.886 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(c3c[nH+]cn3C)CC2)CC1 ZINC001347215728 1062217901 /nfs/dbraw/zinc/21/79/01/1062217901.db2.gz HTOMPOYBAOOLDS-GOSISDBHSA-N 2 2 395.551 3.535 20 0 GHADLP CC1CCC([NH+]2CCN(C(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)CC2)CC1 ZINC001456418056 1062670190 /nfs/dbraw/zinc/67/01/90/1062670190.db2.gz LBUQSMDNJFSGHC-RRWXTXHCSA-N 2 2 377.960 3.666 20 0 GHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001349793393 1063913315 /nfs/dbraw/zinc/91/33/15/1063913315.db2.gz LLYQOZCIPHJBEJ-LJQANCHMSA-N 2 2 385.508 3.816 20 0 GHADLP Fc1ccc(C(F)(F)F)c(Br)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC001351331305 1064384248 /nfs/dbraw/zinc/38/42/48/1064384248.db2.gz SICCHUPXPLZLDX-VIFPVBQESA-N 2 2 392.194 3.908 20 0 GHADLP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001464130444 1064844099 /nfs/dbraw/zinc/84/40/99/1064844099.db2.gz UWKOJQZPNLRQIW-OALUTQOASA-N 2 2 395.950 3.997 20 0 GHADLP CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001464130444 1064844109 /nfs/dbraw/zinc/84/41/09/1064844109.db2.gz UWKOJQZPNLRQIW-OALUTQOASA-N 2 2 395.950 3.997 20 0 GHADLP CCC[C@@H]1CN(C(=O)C[NH+](C)CCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001546153497 1065900749 /nfs/dbraw/zinc/90/07/49/1065900749.db2.gz PBXDHIATCDJTAW-XMMPIXPASA-N 2 2 393.575 3.674 20 0 GHADLP CCC[C@@H]1CN(C(=O)C[NH+](C)CCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001546153497 1065900752 /nfs/dbraw/zinc/90/07/52/1065900752.db2.gz PBXDHIATCDJTAW-XMMPIXPASA-N 2 2 393.575 3.674 20 0 GHADLP CCC[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001546153497 1065900761 /nfs/dbraw/zinc/90/07/61/1065900761.db2.gz PBXDHIATCDJTAW-XMMPIXPASA-N 2 2 393.575 3.674 20 0 GHADLP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc(C)[nH+]1 ZINC001465885854 1065910744 /nfs/dbraw/zinc/91/07/44/1065910744.db2.gz RQXVDNFYKGLOTN-QGZVFWFLSA-N 2 2 392.425 3.535 20 0 GHADLP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc(C)[nH+]1 ZINC001465885854 1065910745 /nfs/dbraw/zinc/91/07/45/1065910745.db2.gz RQXVDNFYKGLOTN-QGZVFWFLSA-N 2 2 392.425 3.535 20 0 GHADLP CC(C)(C)OC(=O)NC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCCC1 ZINC000849350947 1067817309 /nfs/dbraw/zinc/81/73/09/1067817309.db2.gz NXPRGBGWDMOOIO-UHFFFAOYSA-N 2 2 393.494 3.830 20 0 GHADLP C[NH+](C)CC[C@H](NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)C(C)(C)C ZINC001468759360 1067864608 /nfs/dbraw/zinc/86/46/08/1067864608.db2.gz DVTRDSKFFKSWCL-MJGOQNOKSA-N 2 2 391.604 3.894 20 0 GHADLP c1csc(C[C@H]2CCC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC001460799205 1069187280 /nfs/dbraw/zinc/18/72/80/1069187280.db2.gz DLZKAJWHZSKXIK-NHCUHLMSSA-N 2 2 385.577 3.689 20 0 GHADLP c1csc(C[C@H]2CCC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC001460799205 1069187288 /nfs/dbraw/zinc/18/72/88/1069187288.db2.gz DLZKAJWHZSKXIK-NHCUHLMSSA-N 2 2 385.577 3.689 20 0 GHADLP c1csc(C[C@H]2CCC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC001460799205 1069187292 /nfs/dbraw/zinc/18/72/92/1069187292.db2.gz DLZKAJWHZSKXIK-NHCUHLMSSA-N 2 2 385.577 3.689 20 0 GHADLP c1csc(C[C@H]2CCC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC001460799205 1069187298 /nfs/dbraw/zinc/18/72/98/1069187298.db2.gz DLZKAJWHZSKXIK-NHCUHLMSSA-N 2 2 385.577 3.689 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC001471918909 1073259779 /nfs/dbraw/zinc/25/97/79/1073259779.db2.gz WHIQRCDKOOSSDY-JOCHJYFZSA-N 2 2 392.547 3.848 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC001471918909 1073259789 /nfs/dbraw/zinc/25/97/89/1073259789.db2.gz WHIQRCDKOOSSDY-JOCHJYFZSA-N 2 2 392.547 3.848 20 0 GHADLP O=C(N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001479106695 1079106328 /nfs/dbraw/zinc/10/63/28/1079106328.db2.gz HSCNNINONDWEFW-RTWAWAEBSA-N 2 2 395.551 3.744 20 0 GHADLP O=C(N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001479106695 1079106332 /nfs/dbraw/zinc/10/63/32/1079106332.db2.gz HSCNNINONDWEFW-RTWAWAEBSA-N 2 2 395.551 3.744 20 0 GHADLP O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001479107775 1079106944 /nfs/dbraw/zinc/10/69/44/1079106944.db2.gz STKDHFKOZZJTML-OAQYLSRUSA-N 2 2 395.551 3.744 20 0 GHADLP O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001479107775 1079106946 /nfs/dbraw/zinc/10/69/46/1079106946.db2.gz STKDHFKOZZJTML-OAQYLSRUSA-N 2 2 395.551 3.744 20 0 GHADLP COc1ccc([C@H](CNC(=O)Cn2c[nH+]c(C(C)(C)C)c2)[NH+]2CCCCC2)cc1 ZINC001473069900 1073769194 /nfs/dbraw/zinc/76/91/94/1073769194.db2.gz KXDXBPMFLVLQIE-FQEVSTJZSA-N 2 2 398.551 3.533 20 0 GHADLP CN(C)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cc1 ZINC001473896346 1074194112 /nfs/dbraw/zinc/19/41/12/1074194112.db2.gz BIYOMCALBXHSIE-SFHVURJKSA-N 2 2 397.567 3.912 20 0 GHADLP CN(C)c1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cc1 ZINC001473896346 1074194115 /nfs/dbraw/zinc/19/41/15/1074194115.db2.gz BIYOMCALBXHSIE-SFHVURJKSA-N 2 2 397.567 3.912 20 0 GHADLP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cc1 ZINC001473898469 1074195918 /nfs/dbraw/zinc/19/59/18/1074195918.db2.gz YZSXOQUNHAXDND-KRWDZBQOSA-N 2 2 384.524 3.855 20 0 GHADLP COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cc1 ZINC001473898469 1074195919 /nfs/dbraw/zinc/19/59/19/1074195919.db2.gz YZSXOQUNHAXDND-KRWDZBQOSA-N 2 2 384.524 3.855 20 0 GHADLP Cc1ccc(C(=O)N2CCC([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CC2)cc1 ZINC001473975044 1074223389 /nfs/dbraw/zinc/22/33/89/1074223389.db2.gz SWBFYFPOARKYKF-UHFFFAOYSA-N 2 2 380.517 3.637 20 0 GHADLP Brc1ccc(-c2n[nH]cc2C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC001474034875 1074243473 /nfs/dbraw/zinc/24/34/73/1074243473.db2.gz KONPXJGHYAFVFF-UHFFFAOYSA-N 2 2 386.297 3.826 20 0 GHADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001474087939 1074259560 /nfs/dbraw/zinc/25/95/60/1074259560.db2.gz QEMBZVNTGOFSDU-NTKDMRAZSA-N 2 2 380.532 3.811 20 0 GHADLP F[C@@H]1CC2(CC[C@H]1[NH2+][C@@H]1CCCCC[N@H+](Cc3ccccc3)C1)OCCO2 ZINC001474233225 1074303124 /nfs/dbraw/zinc/30/31/24/1074303124.db2.gz TVOBMQNQTMTRRS-NJDAHSKKSA-N 2 2 376.516 3.655 20 0 GHADLP F[C@@H]1CC2(CC[C@H]1[NH2+][C@@H]1CCCCC[N@@H+](Cc3ccccc3)C1)OCCO2 ZINC001474233225 1074303136 /nfs/dbraw/zinc/30/31/36/1074303136.db2.gz TVOBMQNQTMTRRS-NJDAHSKKSA-N 2 2 376.516 3.655 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC001474682834 1074512907 /nfs/dbraw/zinc/51/29/07/1074512907.db2.gz RIBZUIDWXSKWBG-MISYRCLQSA-N 2 2 384.524 3.860 20 0 GHADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000737500655 598367967 /nfs/dbraw/zinc/36/79/67/598367967.db2.gz QSSHUVXZRDEGHQ-HXUWFJFHSA-N 2 2 399.502 3.876 20 0 GHADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000737500655 598367969 /nfs/dbraw/zinc/36/79/69/598367969.db2.gz QSSHUVXZRDEGHQ-HXUWFJFHSA-N 2 2 399.502 3.876 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820410471 606201815 /nfs/dbraw/zinc/20/18/15/606201815.db2.gz FIKYFUWZWWEYQP-LLGFUMIMSA-N 2 2 376.508 3.570 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820410471 606201817 /nfs/dbraw/zinc/20/18/17/606201817.db2.gz FIKYFUWZWWEYQP-LLGFUMIMSA-N 2 2 376.508 3.570 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577075 609137790 /nfs/dbraw/zinc/13/77/90/609137790.db2.gz GKPLHNVEGRWGSQ-AEFFLSMTSA-N 2 2 394.498 3.569 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577075 609137791 /nfs/dbraw/zinc/13/77/91/609137791.db2.gz GKPLHNVEGRWGSQ-AEFFLSMTSA-N 2 2 394.498 3.569 20 0 GHADLP Cc1ccc(C[NH+]2CCC3(CCN(c4cc(N(C)C)[nH+]cn4)CC3)CC2)cc1 ZINC001164769335 721042174 /nfs/dbraw/zinc/04/21/74/721042174.db2.gz WGYIVSMIAAOMLC-UHFFFAOYSA-N 2 2 379.552 3.734 20 0 GHADLP Cc1ccc(C[NH+]2CCC3(CCN(c4cc(N(C)C)nc[nH+]4)CC3)CC2)cc1 ZINC001164769335 721042178 /nfs/dbraw/zinc/04/21/78/721042178.db2.gz WGYIVSMIAAOMLC-UHFFFAOYSA-N 2 2 379.552 3.734 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C4CC4)cc[nH+]3)C2)C1 ZINC001164776811 721354178 /nfs/dbraw/zinc/35/41/78/721354178.db2.gz CXNQQOBOXQUPDD-HSZRJFAPSA-N 2 2 396.535 3.683 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C4CC4)cc[nH+]3)C2)C1 ZINC001164776811 721354183 /nfs/dbraw/zinc/35/41/83/721354183.db2.gz CXNQQOBOXQUPDD-HSZRJFAPSA-N 2 2 396.535 3.683 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000892648913 837532866 /nfs/dbraw/zinc/53/28/66/837532866.db2.gz HARUKFGIJUXRDX-FZKCQIBNSA-N 2 2 389.462 3.798 20 0 GHADLP COc1cc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc2c1OCCO2 ZINC000583467417 834436143 /nfs/dbraw/zinc/43/61/43/834436143.db2.gz AELOASHUFMSTGE-UHFFFAOYSA-N 2 2 382.504 3.563 20 0 GHADLP COc1cc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc2c1OCCO2 ZINC000583467417 834436147 /nfs/dbraw/zinc/43/61/47/834436147.db2.gz AELOASHUFMSTGE-UHFFFAOYSA-N 2 2 382.504 3.563 20 0 GHADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000278289745 834534619 /nfs/dbraw/zinc/53/46/19/834534619.db2.gz QUHITAWONYIPEW-ULQDDVLXSA-N 2 2 386.492 3.526 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3cc(C)c(F)c(C)c3)CC2)CC1 ZINC001143373939 834938689 /nfs/dbraw/zinc/93/86/89/834938689.db2.gz FUGYZPZSOCGZSQ-UHFFFAOYSA-N 2 2 376.516 3.682 20 0 GHADLP Fc1cc(Br)cc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)c1 ZINC000655755933 837829552 /nfs/dbraw/zinc/82/95/52/837829552.db2.gz ITSRRWIHWRKNCF-RTBURBONSA-N 2 2 397.332 3.882 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc2c1OCCO2 ZINC000685443003 835013162 /nfs/dbraw/zinc/01/31/62/835013162.db2.gz COKAOLIGILKNEP-XMMPIXPASA-N 2 2 394.515 3.564 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc2c1OCCO2 ZINC000685443003 835013171 /nfs/dbraw/zinc/01/31/71/835013171.db2.gz COKAOLIGILKNEP-XMMPIXPASA-N 2 2 394.515 3.564 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc2c1OCCO2 ZINC000685443003 835013182 /nfs/dbraw/zinc/01/31/82/835013182.db2.gz COKAOLIGILKNEP-XMMPIXPASA-N 2 2 394.515 3.564 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc2c1OCCO2 ZINC000685443003 835013193 /nfs/dbraw/zinc/01/31/93/835013193.db2.gz COKAOLIGILKNEP-XMMPIXPASA-N 2 2 394.515 3.564 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cc2ccncc2s1 ZINC000657890400 835018574 /nfs/dbraw/zinc/01/85/74/835018574.db2.gz VUDQRFMRFITBFK-PWIZWCRZSA-N 2 2 381.545 3.830 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cc2ccncc2s1 ZINC000657890400 835018584 /nfs/dbraw/zinc/01/85/84/835018584.db2.gz VUDQRFMRFITBFK-PWIZWCRZSA-N 2 2 381.545 3.830 20 0 GHADLP C[C@H](C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000511298252 835087431 /nfs/dbraw/zinc/08/74/31/835087431.db2.gz SIYXKCVASUYDAN-YYAJDYIMSA-N 2 2 395.950 3.994 20 0 GHADLP C[C@H](C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000511298252 835087440 /nfs/dbraw/zinc/08/74/40/835087440.db2.gz SIYXKCVASUYDAN-YYAJDYIMSA-N 2 2 395.950 3.994 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000685579241 835189204 /nfs/dbraw/zinc/18/92/04/835189204.db2.gz GLUKZKKOMUJEBI-HXUWFJFHSA-N 2 2 383.467 3.568 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CCC(=O)OC(C)(C)C)C1CCOCC1 ZINC000579833376 835260493 /nfs/dbraw/zinc/26/04/93/835260493.db2.gz XGDHPWALEVVXBS-UHFFFAOYSA-N 2 2 399.535 3.894 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CCC(=O)OC(C)(C)C)C1CCOCC1 ZINC000579833376 835260498 /nfs/dbraw/zinc/26/04/98/835260498.db2.gz XGDHPWALEVVXBS-UHFFFAOYSA-N 2 2 399.535 3.894 20 0 GHADLP COc1ccc(Br)cc1C1([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000647315308 835272453 /nfs/dbraw/zinc/27/24/53/835272453.db2.gz ZGJJYPWHQZSPLG-UHFFFAOYSA-N 2 2 379.342 3.911 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000471173471 835413393 /nfs/dbraw/zinc/41/33/93/835413393.db2.gz RQDOVRDOBWRJBS-RXVVDRJESA-N 2 2 394.544 3.947 20 0 GHADLP O=C(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000471173471 835413400 /nfs/dbraw/zinc/41/34/00/835413400.db2.gz RQDOVRDOBWRJBS-RXVVDRJESA-N 2 2 394.544 3.947 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000433361181 844051488 /nfs/dbraw/zinc/05/14/88/844051488.db2.gz BWNRTHYDZVNOEK-UHFFFAOYSA-N 2 2 390.531 3.501 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000433361181 844051495 /nfs/dbraw/zinc/05/14/95/844051495.db2.gz BWNRTHYDZVNOEK-UHFFFAOYSA-N 2 2 390.531 3.501 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cnccc1NC(=O)OC(C)(C)C ZINC000796674050 835550779 /nfs/dbraw/zinc/55/07/79/835550779.db2.gz FIHMJEXSPJSGHA-IRXDYDNUSA-N 2 2 376.545 3.766 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cnccc1NC(=O)OC(C)(C)C ZINC000796674050 835550782 /nfs/dbraw/zinc/55/07/82/835550782.db2.gz FIHMJEXSPJSGHA-IRXDYDNUSA-N 2 2 376.545 3.766 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000047271757 835677884 /nfs/dbraw/zinc/67/78/84/835677884.db2.gz AMZWQPFWVRIRFX-QFIPXVFZSA-N 2 2 376.504 3.744 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(C(C)(C)C)c(Cl)c3)C2)CC1 ZINC000685734461 835823390 /nfs/dbraw/zinc/82/33/90/835823390.db2.gz ZAASFBAXXYXERV-MRXNPFEDSA-N 2 2 377.960 3.536 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(C(C)(C)C)c(Cl)c3)C2)CC1 ZINC000685734461 835823398 /nfs/dbraw/zinc/82/33/98/835823398.db2.gz ZAASFBAXXYXERV-MRXNPFEDSA-N 2 2 377.960 3.536 20 0 GHADLP Cc1cccn2cc(COc3ccc(C[NH2+]CCCCn4cc[nH+]c4)cc3)nc12 ZINC000063319008 835953553 /nfs/dbraw/zinc/95/35/53/835953553.db2.gz MXKRFQYNHXWPRA-UHFFFAOYSA-N 2 2 389.503 3.988 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000547751622 836019996 /nfs/dbraw/zinc/01/99/96/836019996.db2.gz GRSOOZUPNNLMGT-UHFFFAOYSA-N 2 2 381.520 3.613 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000116384289 836231390 /nfs/dbraw/zinc/23/13/90/836231390.db2.gz QXDZYGVPAOCZQV-GCJKJVERSA-N 2 2 382.527 3.821 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000116384289 836231398 /nfs/dbraw/zinc/23/13/98/836231398.db2.gz QXDZYGVPAOCZQV-GCJKJVERSA-N 2 2 382.527 3.821 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)[C@@H](C)C1 ZINC000471242981 836289498 /nfs/dbraw/zinc/28/94/98/836289498.db2.gz LFBZNJIDFGYSGI-HYVJGQCMSA-N 2 2 389.559 3.835 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)[C@@H](C)C1 ZINC000471242981 836289514 /nfs/dbraw/zinc/28/95/14/836289514.db2.gz LFBZNJIDFGYSGI-HYVJGQCMSA-N 2 2 389.559 3.835 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)[C@@H](C)C1 ZINC000471242981 836289528 /nfs/dbraw/zinc/28/95/28/836289528.db2.gz LFBZNJIDFGYSGI-HYVJGQCMSA-N 2 2 389.559 3.835 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)[C@@H](C)C1 ZINC000471242981 836289539 /nfs/dbraw/zinc/28/95/39/836289539.db2.gz LFBZNJIDFGYSGI-HYVJGQCMSA-N 2 2 389.559 3.835 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000332695083 836465854 /nfs/dbraw/zinc/46/58/54/836465854.db2.gz XEWGEXZXFHKEFD-YQVWRLOYSA-N 2 2 398.526 3.804 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000332695083 836465858 /nfs/dbraw/zinc/46/58/58/836465858.db2.gz XEWGEXZXFHKEFD-YQVWRLOYSA-N 2 2 398.526 3.804 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000513057248 844189517 /nfs/dbraw/zinc/18/95/17/844189517.db2.gz LDMAPGHIGKMMOG-UGKGYDQZSA-N 2 2 377.532 3.609 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000513057248 844189521 /nfs/dbraw/zinc/18/95/21/844189521.db2.gz LDMAPGHIGKMMOG-UGKGYDQZSA-N 2 2 377.532 3.609 20 0 GHADLP C[N@@H+]1CCO[C@H]([C@@H](NC2CC[NH+](C(C)(C)C)CC2)c2ccc(Cl)cc2)C1 ZINC000119426412 836867102 /nfs/dbraw/zinc/86/71/02/836867102.db2.gz SDXMONZWUGSGLH-PMACEKPBSA-N 2 2 379.976 3.564 20 0 GHADLP C[N@H+]1CCO[C@H]([C@@H](NC2CC[NH+](C(C)(C)C)CC2)c2ccc(Cl)cc2)C1 ZINC000119426412 836867109 /nfs/dbraw/zinc/86/71/09/836867109.db2.gz SDXMONZWUGSGLH-PMACEKPBSA-N 2 2 379.976 3.564 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3c(C)nn(C(C)C)c3C)cc2)CC1 ZINC000892597460 836913580 /nfs/dbraw/zinc/91/35/80/836913580.db2.gz TXZABCDZQHABHT-UHFFFAOYSA-N 2 2 383.584 3.508 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc(C)c1F ZINC000123642110 837091534 /nfs/dbraw/zinc/09/15/34/837091534.db2.gz QIUJOESCCHVHBD-RTWAWAEBSA-N 2 2 389.559 3.852 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc(C)c1F ZINC000123642110 837091541 /nfs/dbraw/zinc/09/15/41/837091541.db2.gz QIUJOESCCHVHBD-RTWAWAEBSA-N 2 2 389.559 3.852 20 0 GHADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000579925717 837371343 /nfs/dbraw/zinc/37/13/43/837371343.db2.gz DUOIQMAOSHRBGQ-MJGOQNOKSA-N 2 2 392.906 3.714 20 0 GHADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000579925717 837371352 /nfs/dbraw/zinc/37/13/52/837371352.db2.gz DUOIQMAOSHRBGQ-MJGOQNOKSA-N 2 2 392.906 3.714 20 0 GHADLP CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655770147 837835780 /nfs/dbraw/zinc/83/57/80/837835780.db2.gz AJYFUTJLCJRKKE-KXBFYZLASA-N 2 2 393.369 3.915 20 0 GHADLP COCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655772836 837845611 /nfs/dbraw/zinc/84/56/11/837845611.db2.gz SSHWIRRJCIECBD-OALUTQOASA-N 2 2 386.458 3.626 20 0 GHADLP O=c1[nH]c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nc2ccc(Cl)cc12 ZINC000121778396 838166962 /nfs/dbraw/zinc/16/69/62/838166962.db2.gz AYJYWAJVIWITPJ-UHFFFAOYSA-N 2 2 388.943 3.665 20 0 GHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000182090095 838325115 /nfs/dbraw/zinc/32/51/15/838325115.db2.gz TYIGVHDPEPVSNG-SFHVURJKSA-N 2 2 381.499 3.816 20 0 GHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000182090095 838325120 /nfs/dbraw/zinc/32/51/20/838325120.db2.gz TYIGVHDPEPVSNG-SFHVURJKSA-N 2 2 381.499 3.816 20 0 GHADLP c1ccc(C[N@H+]2C[C@H](C[NH2+]Cc3nc4ccccc4o3)C3(C2)CCOCC3)cc1 ZINC000639210828 838391925 /nfs/dbraw/zinc/39/19/25/838391925.db2.gz NIBUVTDGHMQJQH-FQEVSTJZSA-N 2 2 391.515 3.846 20 0 GHADLP c1ccc(C[N@@H+]2C[C@H](C[NH2+]Cc3nc4ccccc4o3)C3(C2)CCOCC3)cc1 ZINC000639210828 838391932 /nfs/dbraw/zinc/39/19/32/838391932.db2.gz NIBUVTDGHMQJQH-FQEVSTJZSA-N 2 2 391.515 3.846 20 0 GHADLP C[NH+](C)CCN(Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(F)c(F)c1 ZINC000584557243 838483184 /nfs/dbraw/zinc/48/31/84/838483184.db2.gz QGSDKOSSJZUDPZ-UHFFFAOYSA-N 2 2 376.476 3.776 20 0 GHADLP COc1cc2ccccc2cc1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000580034305 838545405 /nfs/dbraw/zinc/54/54/05/838545405.db2.gz ZTYHIFCULKDEIH-XMMPIXPASA-N 2 2 389.543 3.927 20 0 GHADLP C[C@@H](c1cccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000416151270 838638328 /nfs/dbraw/zinc/63/83/28/838638328.db2.gz PBORRNQEONUITI-AVRDEDQJSA-N 2 2 381.520 3.711 20 0 GHADLP Cc1c(Cl)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)nc2ccccc12 ZINC000378319178 838855809 /nfs/dbraw/zinc/85/58/09/838855809.db2.gz NHGNPOZFXYMSSF-HRAATJIYSA-N 2 2 386.971 3.654 20 0 GHADLP Cc1c(Cl)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)nc2ccccc12 ZINC000378319178 838855818 /nfs/dbraw/zinc/85/58/18/838855818.db2.gz NHGNPOZFXYMSSF-HRAATJIYSA-N 2 2 386.971 3.654 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549146595 839018630 /nfs/dbraw/zinc/01/86/30/839018630.db2.gz TVLXNNNDQKEVMG-YGOYIFOWSA-N 2 2 380.532 3.679 20 0 GHADLP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000580192202 839027885 /nfs/dbraw/zinc/02/78/85/839027885.db2.gz DCCZGLZJIHNICX-GOSISDBHSA-N 2 2 395.595 3.737 20 0 GHADLP CC(=O)c1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549163905 839105521 /nfs/dbraw/zinc/10/55/21/839105521.db2.gz AEKFDLGBWRBZDR-JOCHJYFZSA-N 2 2 393.531 3.718 20 0 GHADLP CC(=O)c1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549163905 839105525 /nfs/dbraw/zinc/10/55/25/839105525.db2.gz AEKFDLGBWRBZDR-JOCHJYFZSA-N 2 2 393.531 3.718 20 0 GHADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000660003474 839243187 /nfs/dbraw/zinc/24/31/87/839243187.db2.gz KCEARQLJEWGRDT-MRXNPFEDSA-N 2 2 389.367 3.676 20 0 GHADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000660003474 839243199 /nfs/dbraw/zinc/24/31/99/839243199.db2.gz KCEARQLJEWGRDT-MRXNPFEDSA-N 2 2 389.367 3.676 20 0 GHADLP NC1(C[NH2+]Cc2nc3ccc(F)cc3s2)CC[NH+](Cc2ccccc2)CC1 ZINC000415139964 839266601 /nfs/dbraw/zinc/26/66/01/839266601.db2.gz YHTGEXRUOBOALT-UHFFFAOYSA-N 2 2 384.524 3.519 20 0 GHADLP C[C@@H]1CCN(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c2ccccc2S1 ZINC000047970338 839902379 /nfs/dbraw/zinc/90/23/79/839902379.db2.gz SPHJGGFUFKSQKH-GOSISDBHSA-N 2 2 387.593 3.712 20 0 GHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000580644127 839950046 /nfs/dbraw/zinc/95/00/46/839950046.db2.gz MCKGHTWRXMCYSD-NRFANRHFSA-N 2 2 387.474 3.513 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000580661743 839974034 /nfs/dbraw/zinc/97/40/34/839974034.db2.gz IEPOXMCIOPRJOV-KRWDZBQOSA-N 2 2 397.519 3.588 20 0 GHADLP CC[N@H+](Cc1cc(OC)ns1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000660079161 840101218 /nfs/dbraw/zinc/10/12/18/840101218.db2.gz AKISYYKUOZPMCQ-UHFFFAOYSA-N 2 2 389.569 3.864 20 0 GHADLP CC[N@@H+](Cc1cc(OC)ns1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000660079161 840101228 /nfs/dbraw/zinc/10/12/28/840101228.db2.gz AKISYYKUOZPMCQ-UHFFFAOYSA-N 2 2 389.569 3.864 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2cc3cc(Cl)sc3[nH]2)([NH+]2CCCCC2)CC1 ZINC000582095224 840281312 /nfs/dbraw/zinc/28/13/12/840281312.db2.gz HYZGLTKTGBBWHY-UHFFFAOYSA-N 2 2 394.972 3.563 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@H](c4cccnc4)C3)C2)cc1 ZINC000500401999 840384809 /nfs/dbraw/zinc/38/48/09/840384809.db2.gz YLAAVLLKVAFTGB-OEMFJLHTSA-N 2 2 379.548 3.989 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@H](c4cccnc4)C3)C2)cc1 ZINC000500401999 840384824 /nfs/dbraw/zinc/38/48/24/840384824.db2.gz YLAAVLLKVAFTGB-OEMFJLHTSA-N 2 2 379.548 3.989 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417345098 840754679 /nfs/dbraw/zinc/75/46/79/840754679.db2.gz SYMIBZHRFJEJSA-JRGCBEDISA-N 2 2 386.561 3.741 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1 ZINC000581204946 840848885 /nfs/dbraw/zinc/84/88/85/840848885.db2.gz AANJGJFBRGKNIK-UHFFFAOYSA-N 2 2 381.524 3.881 20 0 GHADLP Cc1cccc(C)c1[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000660573909 840950342 /nfs/dbraw/zinc/95/03/42/840950342.db2.gz LIHRPEDPFQRKIP-QFIPXVFZSA-N 2 2 398.595 3.709 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654775 841068647 /nfs/dbraw/zinc/06/86/47/841068647.db2.gz CUQNOKXSXGMDEN-GLDPYIMESA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654775 841068667 /nfs/dbraw/zinc/06/86/67/841068667.db2.gz CUQNOKXSXGMDEN-GLDPYIMESA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654775 841068680 /nfs/dbraw/zinc/06/86/80/841068680.db2.gz CUQNOKXSXGMDEN-GLDPYIMESA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654775 841068694 /nfs/dbraw/zinc/06/86/94/841068694.db2.gz CUQNOKXSXGMDEN-GLDPYIMESA-N 2 2 379.548 3.823 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c(C)c1 ZINC000417933620 841288871 /nfs/dbraw/zinc/28/88/71/841288871.db2.gz OJRAERHDHXCSAM-GCJKJVERSA-N 2 2 391.519 3.760 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000500103222 841445610 /nfs/dbraw/zinc/44/56/10/841445610.db2.gz BIZUBABQENJRMU-CVDCTZTESA-N 2 2 388.515 3.572 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000500103222 841445621 /nfs/dbraw/zinc/44/56/21/841445621.db2.gz BIZUBABQENJRMU-CVDCTZTESA-N 2 2 388.515 3.572 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000623562604 861205528 /nfs/dbraw/zinc/20/55/28/861205528.db2.gz WSPYZOWCMZVMLB-GFCCVEGCSA-N 2 2 383.359 3.863 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000623562604 861205542 /nfs/dbraw/zinc/20/55/42/861205542.db2.gz WSPYZOWCMZVMLB-GFCCVEGCSA-N 2 2 383.359 3.863 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cc4cnccc4o3)CC2)cc1 ZINC000651821929 841661499 /nfs/dbraw/zinc/66/14/99/841661499.db2.gz CVZMKRHGVIFNKC-UHFFFAOYSA-N 2 2 378.476 3.540 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)ccc2Br)CCCO1 ZINC000432345150 842116305 /nfs/dbraw/zinc/11/63/05/842116305.db2.gz GWOVOKIVSJQSLZ-CYBMUJFWSA-N 2 2 375.738 3.693 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)ccc2Br)CCCO1 ZINC000432345150 842116306 /nfs/dbraw/zinc/11/63/06/842116306.db2.gz GWOVOKIVSJQSLZ-CYBMUJFWSA-N 2 2 375.738 3.693 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](c3cccc(Cl)c3)OCC2(C)C)CC1 ZINC000661736891 842116997 /nfs/dbraw/zinc/11/69/97/842116997.db2.gz QSKGTVYOQLNNMT-NRFANRHFSA-N 2 2 394.003 3.908 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](c3cccc(Cl)c3)OCC2(C)C)CC1 ZINC000661736891 842117001 /nfs/dbraw/zinc/11/70/01/842117001.db2.gz QSKGTVYOQLNNMT-NRFANRHFSA-N 2 2 394.003 3.908 20 0 GHADLP Cc1cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)sc1Br ZINC000512032576 842214350 /nfs/dbraw/zinc/21/43/50/842214350.db2.gz VMMRLWMVSIJRAK-KBPBESRZSA-N 2 2 375.376 3.562 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(-c2ccccc2)o1 ZINC000581830244 842252002 /nfs/dbraw/zinc/25/20/02/842252002.db2.gz GCFHGJZNNWTQDU-OHSMVPPVSA-N 2 2 381.520 3.681 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(-c2ccccc2)o1 ZINC000581830244 842252011 /nfs/dbraw/zinc/25/20/11/842252011.db2.gz GCFHGJZNNWTQDU-OHSMVPPVSA-N 2 2 381.520 3.681 20 0 GHADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@H]1CC[NH3+] ZINC000652353578 842343713 /nfs/dbraw/zinc/34/37/13/842343713.db2.gz RUCGFJFAMJVDIU-NHYWBVRUSA-N 2 2 377.838 3.747 20 0 GHADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@H]1CC[NH3+] ZINC000652353578 842343724 /nfs/dbraw/zinc/34/37/24/842343724.db2.gz RUCGFJFAMJVDIU-NHYWBVRUSA-N 2 2 377.838 3.747 20 0 GHADLP COc1cc2c(cc1OC)CC[NH+](Cc1c[nH+]c(C)n1-c1ccccc1)CC2 ZINC000512055151 842353369 /nfs/dbraw/zinc/35/33/69/842353369.db2.gz XKVFOBJWJLDGHR-UHFFFAOYSA-N 2 2 377.488 3.799 20 0 GHADLP CC(C)N1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000511907821 842358324 /nfs/dbraw/zinc/35/83/24/842358324.db2.gz DOVIEGROYYSRDO-AZUAARDMSA-N 2 2 394.535 3.797 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](CN2CCc3ccccc3C2)C(C)(C)C)s1 ZINC000512068883 842391752 /nfs/dbraw/zinc/39/17/52/842391752.db2.gz UOYQBGVXTIRCJE-HXUWFJFHSA-N 2 2 386.609 3.767 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)s1 ZINC000512087026 842453974 /nfs/dbraw/zinc/45/39/74/842453974.db2.gz HITMULNRNPPWEQ-UHFFFAOYSA-N 2 2 395.454 3.699 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCN1C1CCCCC1 ZINC000647193268 842501141 /nfs/dbraw/zinc/50/11/41/842501141.db2.gz SGBIWEATAINELA-RBBKRZOGSA-N 2 2 381.564 3.707 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCN1C1CCCCC1 ZINC000647193268 842501142 /nfs/dbraw/zinc/50/11/42/842501142.db2.gz SGBIWEATAINELA-RBBKRZOGSA-N 2 2 381.564 3.707 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)[NH+](CC)CC)cc1 ZINC000432443973 842516632 /nfs/dbraw/zinc/51/66/32/842516632.db2.gz MQQFTGBJIVCQEU-LEWJYISDSA-N 2 2 397.567 3.565 20 0 GHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[NH+](C)C ZINC000510527298 842905572 /nfs/dbraw/zinc/90/55/72/842905572.db2.gz WUIOMUCHRJJJTE-AVRDEDQJSA-N 2 2 376.504 3.661 20 0 GHADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[NH+](C)C ZINC000510527300 842905832 /nfs/dbraw/zinc/90/58/32/842905832.db2.gz WUIOMUCHRJJJTE-PGRDOPGGSA-N 2 2 376.504 3.661 20 0 GHADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000673673651 861364502 /nfs/dbraw/zinc/36/45/02/861364502.db2.gz YIUIEQLXRFAXHD-QHCPKHFHSA-N 2 2 379.548 3.679 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247639153 843003422 /nfs/dbraw/zinc/00/34/22/843003422.db2.gz OISFBUJVZPOWSX-CKEIUWERSA-N 2 2 391.313 3.556 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247639153 843003433 /nfs/dbraw/zinc/00/34/33/843003433.db2.gz OISFBUJVZPOWSX-CKEIUWERSA-N 2 2 391.313 3.556 20 0 GHADLP COc1cccc([C@@H](CNc2[nH+]ccc3cc(OC)c(OC)cc32)[NH+](C)C)c1 ZINC000663329648 843198596 /nfs/dbraw/zinc/19/85/96/843198596.db2.gz ZXLBFTOTIABPRL-LJQANCHMSA-N 2 2 381.476 3.975 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(C)s1 ZINC000512296660 843342591 /nfs/dbraw/zinc/34/25/91/843342591.db2.gz ZRZUERFLDRCXMF-JOCHJYFZSA-N 2 2 384.545 3.941 20 0 GHADLP COC(=O)c1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(C)s1 ZINC000512296660 843342610 /nfs/dbraw/zinc/34/26/10/843342610.db2.gz ZRZUERFLDRCXMF-JOCHJYFZSA-N 2 2 384.545 3.941 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)s1 ZINC000512296660 843342620 /nfs/dbraw/zinc/34/26/20/843342620.db2.gz ZRZUERFLDRCXMF-JOCHJYFZSA-N 2 2 384.545 3.941 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C)s1 ZINC000512296660 843342631 /nfs/dbraw/zinc/34/26/31/843342631.db2.gz ZRZUERFLDRCXMF-JOCHJYFZSA-N 2 2 384.545 3.941 20 0 GHADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329434899 861419691 /nfs/dbraw/zinc/41/96/91/861419691.db2.gz JJOBOIRSUWLVFS-UXHICEINSA-N 2 2 395.551 3.689 20 0 GHADLP CCC[N@H+](CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C1CC[NH2+]CC1 ZINC000431075386 843562386 /nfs/dbraw/zinc/56/23/86/843562386.db2.gz DKZTZKDCVYKRSR-UHFFFAOYSA-N 2 2 397.567 3.572 20 0 GHADLP CCC[N@@H+](CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C1CC[NH2+]CC1 ZINC000431075386 843562395 /nfs/dbraw/zinc/56/23/95/843562395.db2.gz DKZTZKDCVYKRSR-UHFFFAOYSA-N 2 2 397.567 3.572 20 0 GHADLP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431100429 843596326 /nfs/dbraw/zinc/59/63/26/843596326.db2.gz MBWMPHQFMZWEEX-OAHLLOKOSA-N 2 2 382.512 3.574 20 0 GHADLP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431100429 843596335 /nfs/dbraw/zinc/59/63/35/843596335.db2.gz MBWMPHQFMZWEEX-OAHLLOKOSA-N 2 2 382.512 3.574 20 0 GHADLP Brc1ccc(Br)c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000893707735 843600860 /nfs/dbraw/zinc/60/08/60/843600860.db2.gz XKNSLZPGJNGAQH-GFCCVEGCSA-N 2 2 385.103 3.513 20 0 GHADLP Brc1ccc(C[N@H+](CC[C@H]2CCCCO2)CCn2cc[nH+]c2)o1 ZINC000510874991 843687787 /nfs/dbraw/zinc/68/77/87/843687787.db2.gz SNAJIIPHRUJOHY-OAHLLOKOSA-N 2 2 382.302 3.700 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NCC(C)(C)[N@@H+]3CCC[C@@H](C)C3)cn2c1 ZINC000500714349 843875830 /nfs/dbraw/zinc/87/58/30/843875830.db2.gz RUAAEZXURNNXRU-MRXNPFEDSA-N 2 2 388.581 3.503 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NCC(C)(C)[N@H+]3CCC[C@@H](C)C3)cn2c1 ZINC000500714349 843875840 /nfs/dbraw/zinc/87/58/40/843875840.db2.gz RUAAEZXURNNXRU-MRXNPFEDSA-N 2 2 388.581 3.503 20 0 GHADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000236890075 843889688 /nfs/dbraw/zinc/88/96/88/843889688.db2.gz FKEYOXZJVCMLBX-JTSKRJEESA-N 2 2 376.504 3.588 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4([NH+]5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512616566 844752310 /nfs/dbraw/zinc/75/23/10/844752310.db2.gz BRKSANZUUJQBIF-KMDXXIMOSA-N 3 2 397.607 3.522 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4([NH+]5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512616566 844752313 /nfs/dbraw/zinc/75/23/13/844752313.db2.gz BRKSANZUUJQBIF-KMDXXIMOSA-N 3 2 397.607 3.522 20 0 GHADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1NC(C)=O ZINC000152115310 844759457 /nfs/dbraw/zinc/75/94/57/844759457.db2.gz AMLFHJQGIONXJJ-INIZCTEOSA-N 2 2 378.476 3.749 20 0 GHADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c(C)s1 ZINC000512673103 844992943 /nfs/dbraw/zinc/99/29/43/844992943.db2.gz MLISREJZHWEFPQ-HXUWFJFHSA-N 2 2 384.593 3.794 20 0 GHADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c(C)s1 ZINC000512673103 844992951 /nfs/dbraw/zinc/99/29/51/844992951.db2.gz MLISREJZHWEFPQ-HXUWFJFHSA-N 2 2 384.593 3.794 20 0 GHADLP CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000512690023 845045406 /nfs/dbraw/zinc/04/54/06/845045406.db2.gz KWYPEWNAPYOLBP-JOCHJYFZSA-N 2 2 394.563 3.515 20 0 GHADLP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000512690023 845045411 /nfs/dbraw/zinc/04/54/11/845045411.db2.gz KWYPEWNAPYOLBP-JOCHJYFZSA-N 2 2 394.563 3.515 20 0 GHADLP Cn1nccc1-c1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000513515713 845563629 /nfs/dbraw/zinc/56/36/29/845563629.db2.gz PZTQXZJOJQTIHU-LJQANCHMSA-N 2 2 375.520 4.000 20 0 GHADLP Cn1nccc1-c1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000513515713 845563630 /nfs/dbraw/zinc/56/36/30/845563630.db2.gz PZTQXZJOJQTIHU-LJQANCHMSA-N 2 2 375.520 4.000 20 0 GHADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430027389 845604245 /nfs/dbraw/zinc/60/42/45/845604245.db2.gz ADYLONSOZRJLRX-WOJBJXKFSA-N 2 2 378.944 3.596 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc(-n3ccnc3)cs2)[C@@H]1c1cnn(C)c1 ZINC000434011803 845726129 /nfs/dbraw/zinc/72/61/29/845726129.db2.gz LHTCCDMDNCWIFO-LAUBAEHRSA-N 2 2 398.580 3.572 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc(-n3ccnc3)cs2)[C@@H]1c1cnn(C)c1 ZINC000434011803 845726135 /nfs/dbraw/zinc/72/61/35/845726135.db2.gz LHTCCDMDNCWIFO-LAUBAEHRSA-N 2 2 398.580 3.572 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc(-n3ccnc3)cs2)[C@@H]1c1cnn(C)c1 ZINC000434011803 845726139 /nfs/dbraw/zinc/72/61/39/845726139.db2.gz LHTCCDMDNCWIFO-LAUBAEHRSA-N 2 2 398.580 3.572 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc(-n3ccnc3)cs2)[C@@H]1c1cnn(C)c1 ZINC000434011803 845726145 /nfs/dbraw/zinc/72/61/45/845726145.db2.gz LHTCCDMDNCWIFO-LAUBAEHRSA-N 2 2 398.580 3.572 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000179500041 861604449 /nfs/dbraw/zinc/60/44/49/861604449.db2.gz DBHASDUXKHIPKS-UZKOGDIHSA-N 2 2 382.527 3.690 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000179500041 861604456 /nfs/dbraw/zinc/60/44/56/861604456.db2.gz DBHASDUXKHIPKS-UZKOGDIHSA-N 2 2 382.527 3.690 20 0 GHADLP Fc1cncc(Br)c1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000657297867 845809568 /nfs/dbraw/zinc/80/95/68/845809568.db2.gz PIJFIIJSKZXZQI-UHFFFAOYSA-N 2 2 378.289 3.869 20 0 GHADLP Cc1ncsc1-c1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000657306829 845944685 /nfs/dbraw/zinc/94/46/85/845944685.db2.gz YRSKZIKPNBHWSW-JOCHJYFZSA-N 2 2 393.556 3.627 20 0 GHADLP Cc1ncsc1-c1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000657306829 845944689 /nfs/dbraw/zinc/94/46/89/845944689.db2.gz YRSKZIKPNBHWSW-JOCHJYFZSA-N 2 2 393.556 3.627 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cccc(F)c3Br)CC2)CC1 ZINC000421374022 846186402 /nfs/dbraw/zinc/18/64/02/846186402.db2.gz NASSKXZCQVLXKD-UHFFFAOYSA-N 2 2 398.364 3.580 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cccc(F)c3Br)CC2)CC1 ZINC000421374022 846186406 /nfs/dbraw/zinc/18/64/06/846186406.db2.gz NASSKXZCQVLXKD-UHFFFAOYSA-N 2 2 398.364 3.580 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(S(C)(=O)=O)ccc2F)cc1 ZINC000502547587 846187487 /nfs/dbraw/zinc/18/74/87/846187487.db2.gz RBPKUGLVICDQDF-CQSZACIVSA-N 2 2 387.480 3.574 20 0 GHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc(F)ccc3OC(F)F)c2)CCO1 ZINC000657328860 846259133 /nfs/dbraw/zinc/25/91/33/846259133.db2.gz GDDHUKYCXKIPFS-HNNXBMFYSA-N 2 2 394.437 3.938 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc(F)ccc3OC(F)F)c2)CCO1 ZINC000657328860 846259144 /nfs/dbraw/zinc/25/91/44/846259144.db2.gz GDDHUKYCXKIPFS-HNNXBMFYSA-N 2 2 394.437 3.938 20 0 GHADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CCC[C@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000509139318 861664257 /nfs/dbraw/zinc/66/42/57/861664257.db2.gz NNUNLGIIOAEVMR-RUZDIDTESA-N 2 2 391.559 3.720 20 0 GHADLP c1ccc(N2CC[NH+](CCC[N@H+]3CCC[C@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000509139318 861664267 /nfs/dbraw/zinc/66/42/67/861664267.db2.gz NNUNLGIIOAEVMR-RUZDIDTESA-N 2 2 391.559 3.720 20 0 GHADLP CC[NH+](CC)CCCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000501024318 846559286 /nfs/dbraw/zinc/55/92/86/846559286.db2.gz PDBKBLCOPRLYAY-SFHVURJKSA-N 2 2 398.954 3.647 20 0 GHADLP CC(C)[C@H](C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000503001760 846702890 /nfs/dbraw/zinc/70/28/90/846702890.db2.gz AUNJSIQLFATMMV-QHCPKHFHSA-N 2 2 395.547 3.557 20 0 GHADLP CC(C)[C@H](C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000503001760 846702902 /nfs/dbraw/zinc/70/29/02/846702902.db2.gz AUNJSIQLFATMMV-QHCPKHFHSA-N 2 2 395.547 3.557 20 0 GHADLP Cc1ncsc1-c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000657373544 846705186 /nfs/dbraw/zinc/70/51/86/846705186.db2.gz YQWVOGUYCXHXAH-QHCPKHFHSA-N 2 2 393.556 3.845 20 0 GHADLP Cc1ncsc1-c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000657373544 846705197 /nfs/dbraw/zinc/70/51/97/846705197.db2.gz YQWVOGUYCXHXAH-QHCPKHFHSA-N 2 2 393.556 3.845 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1sccc1NC(=O)OC(C)(C)C ZINC000892235190 846742386 /nfs/dbraw/zinc/74/23/86/846742386.db2.gz UEXUXJHPYLAOSV-DJIMGWMZSA-N 2 2 395.569 3.779 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1sccc1NC(=O)OC(C)(C)C ZINC000892235190 846742392 /nfs/dbraw/zinc/74/23/92/846742392.db2.gz UEXUXJHPYLAOSV-DJIMGWMZSA-N 2 2 395.569 3.779 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCCc3cc(C)sc3C)CC2)CC1 ZINC000422024024 846755247 /nfs/dbraw/zinc/75/52/47/846755247.db2.gz QJVWXESIZCIMRE-UHFFFAOYSA-N 2 2 391.625 3.706 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCCc3cc(C)sc3C)CC2)CC1 ZINC000422024024 846755257 /nfs/dbraw/zinc/75/52/57/846755257.db2.gz QJVWXESIZCIMRE-UHFFFAOYSA-N 2 2 391.625 3.706 20 0 GHADLP c1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)CC2)cc1 ZINC000501446660 846934037 /nfs/dbraw/zinc/93/40/37/846934037.db2.gz BXZUWSQCSXPRCC-FYYLOGMGSA-N 2 2 378.564 3.910 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000604069990 861749598 /nfs/dbraw/zinc/74/95/98/861749598.db2.gz XDBXUPQFZOAHMB-XMMPIXPASA-N 3 2 393.575 3.915 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000604069990 861749612 /nfs/dbraw/zinc/74/96/12/861749612.db2.gz XDBXUPQFZOAHMB-XMMPIXPASA-N 3 2 393.575 3.915 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000647899385 847079125 /nfs/dbraw/zinc/07/91/25/847079125.db2.gz IZTXGKPZCMSIOQ-VXNXHJTFSA-N 2 2 391.559 3.551 20 0 GHADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000647899385 847079137 /nfs/dbraw/zinc/07/91/37/847079137.db2.gz IZTXGKPZCMSIOQ-VXNXHJTFSA-N 2 2 391.559 3.551 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)cc1OC ZINC000420408996 847173654 /nfs/dbraw/zinc/17/36/54/847173654.db2.gz WQLQTCSDHIPFLY-AEFFLSMTSA-N 2 2 387.549 3.791 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)cc1OC ZINC000420408996 847173659 /nfs/dbraw/zinc/17/36/59/847173659.db2.gz WQLQTCSDHIPFLY-AEFFLSMTSA-N 2 2 387.549 3.791 20 0 GHADLP C[C@@H](Nc1ccc([NH+]2CCC(O)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272857689 847191237 /nfs/dbraw/zinc/19/12/37/847191237.db2.gz UGQVDYIXUCGSJI-TZIWHRDSSA-N 2 2 379.548 3.970 20 0 GHADLP C[C@@H](Nc1ccc([NH+]2CCC(O)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272857689 847191241 /nfs/dbraw/zinc/19/12/41/847191241.db2.gz UGQVDYIXUCGSJI-TZIWHRDSSA-N 2 2 379.548 3.970 20 0 GHADLP CCc1cc(N2CCC([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2)ncn1 ZINC000159083461 847476159 /nfs/dbraw/zinc/47/61/59/847476159.db2.gz WHXIULHUKVAAEY-KRWDZBQOSA-N 2 2 376.508 3.544 20 0 GHADLP Clc1ccc([C@H]2OCC[C@H]2[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000420913387 847531840 /nfs/dbraw/zinc/53/18/40/847531840.db2.gz AZHWDUTWYAHIRT-FGZHOGPDSA-N 2 2 386.923 3.792 20 0 GHADLP Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420942028 847546799 /nfs/dbraw/zinc/54/67/99/847546799.db2.gz ULCGDLCTMCALDN-QHCPKHFHSA-N 2 2 390.531 3.743 20 0 GHADLP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420942028 847546806 /nfs/dbraw/zinc/54/68/06/847546806.db2.gz ULCGDLCTMCALDN-QHCPKHFHSA-N 2 2 390.531 3.743 20 0 GHADLP COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420959127 847579765 /nfs/dbraw/zinc/57/97/65/847579765.db2.gz FULIYFKJJZGWJM-JOCHJYFZSA-N 2 2 396.531 3.571 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379881 847653768 /nfs/dbraw/zinc/65/37/68/847653768.db2.gz XLIUNFYRXBXHRO-PKOBYXMFSA-N 2 2 398.526 3.585 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379881 847653774 /nfs/dbraw/zinc/65/37/74/847653774.db2.gz XLIUNFYRXBXHRO-PKOBYXMFSA-N 2 2 398.526 3.585 20 0 GHADLP CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000503382616 847656829 /nfs/dbraw/zinc/65/68/29/847656829.db2.gz JEXUYHANCRKLTR-RTBURBONSA-N 2 2 386.584 3.969 20 0 GHADLP CCN(C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000503382616 847656835 /nfs/dbraw/zinc/65/68/35/847656835.db2.gz JEXUYHANCRKLTR-RTBURBONSA-N 2 2 386.584 3.969 20 0 GHADLP CCc1cccc(CC)c1NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421047233 847661899 /nfs/dbraw/zinc/66/18/99/847661899.db2.gz YJOUIGVTLQYSAQ-UHFFFAOYSA-N 2 2 386.584 3.835 20 0 GHADLP CCc1cccc(CC)c1NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421047233 847661902 /nfs/dbraw/zinc/66/19/02/847661902.db2.gz YJOUIGVTLQYSAQ-UHFFFAOYSA-N 2 2 386.584 3.835 20 0 GHADLP COc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502324270 847736029 /nfs/dbraw/zinc/73/60/29/847736029.db2.gz BRUGMEYORLWPMC-GOSISDBHSA-N 2 2 391.519 3.793 20 0 GHADLP COc1ccccc1-n1nccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502324270 847736034 /nfs/dbraw/zinc/73/60/34/847736034.db2.gz BRUGMEYORLWPMC-GOSISDBHSA-N 2 2 391.519 3.793 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000422734350 847789617 /nfs/dbraw/zinc/78/96/17/847789617.db2.gz COUIVMHVKFBOMS-HSTIPLNKSA-N 2 2 385.371 3.589 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422899815 847877818 /nfs/dbraw/zinc/87/78/18/847877818.db2.gz PGVLCKHSZIFRRZ-IMRHEYAYSA-N 2 2 383.511 3.744 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)NCC3CCCCC3)C2)s1 ZINC000583348655 848084892 /nfs/dbraw/zinc/08/48/92/848084892.db2.gz ZDFOTMOMWMERPM-UYAOXDASSA-N 2 2 391.625 3.895 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)NCC3CCCCC3)C2)s1 ZINC000583348655 848084898 /nfs/dbraw/zinc/08/48/98/848084898.db2.gz ZDFOTMOMWMERPM-UYAOXDASSA-N 2 2 391.625 3.895 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NCC3CCCCC3)C2)s1 ZINC000583348655 848084903 /nfs/dbraw/zinc/08/49/03/848084903.db2.gz ZDFOTMOMWMERPM-UYAOXDASSA-N 2 2 391.625 3.895 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NCC3CCCCC3)C2)s1 ZINC000583348655 848084910 /nfs/dbraw/zinc/08/49/10/848084910.db2.gz ZDFOTMOMWMERPM-UYAOXDASSA-N 2 2 391.625 3.895 20 0 GHADLP Cn1ccc(-c2nc(C[NH2+]Cc3ccccc3C[NH+]3CCCCC3)cs2)n1 ZINC000921505058 861903823 /nfs/dbraw/zinc/90/38/23/861903823.db2.gz KCBPOPFUOKANKC-UHFFFAOYSA-N 2 2 381.549 3.819 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000548774658 848457045 /nfs/dbraw/zinc/45/70/45/848457045.db2.gz VIQWYSMWXZAJID-HKUYNNGSSA-N 2 2 377.492 3.675 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000548774658 848457050 /nfs/dbraw/zinc/45/70/50/848457050.db2.gz VIQWYSMWXZAJID-HKUYNNGSSA-N 2 2 377.492 3.675 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000548774679 848469305 /nfs/dbraw/zinc/46/93/05/848469305.db2.gz VIQWYSMWXZAJID-MJGOQNOKSA-N 2 2 377.492 3.675 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000548774679 848469311 /nfs/dbraw/zinc/46/93/11/848469311.db2.gz VIQWYSMWXZAJID-MJGOQNOKSA-N 2 2 377.492 3.675 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CC2)cc1 ZINC000582827784 848495608 /nfs/dbraw/zinc/49/56/08/848495608.db2.gz PTZMFFYSEXCHDQ-ZLNRFVROSA-N 2 2 397.563 3.547 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CC(C)(C)CCc4ccccc43)C2)CC1 ZINC000685049613 848687580 /nfs/dbraw/zinc/68/75/80/848687580.db2.gz YKPZIAQYXWHLIT-DENIHFKCSA-N 2 2 398.595 3.558 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CC(C)(C)CCc4ccccc43)C2)CC1 ZINC000685049613 848687583 /nfs/dbraw/zinc/68/75/83/848687583.db2.gz YKPZIAQYXWHLIT-DENIHFKCSA-N 2 2 398.595 3.558 20 0 GHADLP [NH3+][C@@H](CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000237897770 848780446 /nfs/dbraw/zinc/78/04/46/848780446.db2.gz HBFYYXFWAVQWSX-QUCCMNQESA-N 2 2 389.902 3.650 20 0 GHADLP [NH3+][C@@H](CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000237897770 848780451 /nfs/dbraw/zinc/78/04/51/848780451.db2.gz HBFYYXFWAVQWSX-QUCCMNQESA-N 2 2 389.902 3.650 20 0 GHADLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1O ZINC000583136292 849151716 /nfs/dbraw/zinc/15/17/16/849151716.db2.gz PFFSHGMJWLOGAR-PXNSSMCTSA-N 2 2 384.520 3.894 20 0 GHADLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1O ZINC000583136292 849151720 /nfs/dbraw/zinc/15/17/20/849151720.db2.gz PFFSHGMJWLOGAR-PXNSSMCTSA-N 2 2 384.520 3.894 20 0 GHADLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1O ZINC000583136292 849151723 /nfs/dbraw/zinc/15/17/23/849151723.db2.gz PFFSHGMJWLOGAR-PXNSSMCTSA-N 2 2 384.520 3.894 20 0 GHADLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1O ZINC000583136292 849151729 /nfs/dbraw/zinc/15/17/29/849151729.db2.gz PFFSHGMJWLOGAR-PXNSSMCTSA-N 2 2 384.520 3.894 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1nccc2ccccc21 ZINC000583232841 849391971 /nfs/dbraw/zinc/39/19/71/849391971.db2.gz FYCRJOZJBWAZBZ-ZEYPLWLESA-N 2 2 375.516 3.768 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1nccc2ccccc21 ZINC000583232841 849391981 /nfs/dbraw/zinc/39/19/81/849391981.db2.gz FYCRJOZJBWAZBZ-ZEYPLWLESA-N 2 2 375.516 3.768 20 0 GHADLP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(OCCC)c1 ZINC000657751177 849622043 /nfs/dbraw/zinc/62/20/43/849622043.db2.gz JIMYQIONUDNZEG-FQEVSTJZSA-N 2 2 376.541 3.607 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000423098938 849742828 /nfs/dbraw/zinc/74/28/28/849742828.db2.gz DLZGHAKLZCQMMI-LKIWGRCWSA-N 3 2 391.987 3.611 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423098938 849742832 /nfs/dbraw/zinc/74/28/32/849742832.db2.gz DLZGHAKLZCQMMI-LKIWGRCWSA-N 3 2 391.987 3.611 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423137124 849770297 /nfs/dbraw/zinc/77/02/97/849770297.db2.gz HSINWQVXPSGFQQ-HYVJGQCMSA-N 2 2 383.511 3.744 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000425191742 849783140 /nfs/dbraw/zinc/78/31/40/849783140.db2.gz XLUVRBIXASGNJN-STZQEDGTSA-N 2 2 388.515 3.711 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000425191742 849783145 /nfs/dbraw/zinc/78/31/45/849783145.db2.gz XLUVRBIXASGNJN-STZQEDGTSA-N 2 2 388.515 3.711 20 0 GHADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000423233491 849820062 /nfs/dbraw/zinc/82/00/62/849820062.db2.gz OMXGSVJCOQGRLI-AWEZNQCLSA-N 2 2 380.414 3.605 20 0 GHADLP CC[NH+](CC)Cc1cc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)ccc1OC ZINC000423240900 849824726 /nfs/dbraw/zinc/82/47/26/849824726.db2.gz XPWSMTXCSDMUNE-GOSISDBHSA-N 3 2 397.567 3.515 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000423241245 849824769 /nfs/dbraw/zinc/82/47/69/849824769.db2.gz LEORJRRPVTZWPR-IERDGZPVSA-N 2 2 389.565 3.922 20 0 GHADLP CC(C)(C)C1=CC[N@@H+](CCNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425251322 849926880 /nfs/dbraw/zinc/92/68/80/849926880.db2.gz FIYDPWXNPKJJCL-FQEVSTJZSA-N 2 2 380.536 3.726 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000711406756 849945645 /nfs/dbraw/zinc/94/56/45/849945645.db2.gz UVNNOJRIRUVYGU-SFHVURJKSA-N 2 2 387.549 3.712 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000711406756 849945650 /nfs/dbraw/zinc/94/56/50/849945650.db2.gz UVNNOJRIRUVYGU-SFHVURJKSA-N 2 2 387.549 3.712 20 0 GHADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000504239266 849982705 /nfs/dbraw/zinc/98/27/05/849982705.db2.gz KQORXWMZLLAZMA-AOIWGVFYSA-N 2 2 385.474 3.522 20 0 GHADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000504239266 849982711 /nfs/dbraw/zinc/98/27/11/849982711.db2.gz KQORXWMZLLAZMA-AOIWGVFYSA-N 2 2 385.474 3.522 20 0 GHADLP CC[NH+](CC)CC(=O)Nc1cccc(NCc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000514886763 850433509 /nfs/dbraw/zinc/43/35/09/850433509.db2.gz HYIHLUCYCPYEFY-UHFFFAOYSA-N 2 2 383.521 3.826 20 0 GHADLP c1ccc(C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435390547 850456886 /nfs/dbraw/zinc/45/68/86/850456886.db2.gz PQWLPZIDHAWBKB-OAQYLSRUSA-N 2 2 389.503 3.808 20 0 GHADLP c1ccc(C[N@H+](Cc2ccc(Oc3cnccn3)cc2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435390547 850456897 /nfs/dbraw/zinc/45/68/97/850456897.db2.gz PQWLPZIDHAWBKB-OAQYLSRUSA-N 2 2 389.503 3.808 20 0 GHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)[C@H](C)C1 ZINC000424428371 850462896 /nfs/dbraw/zinc/46/28/96/850462896.db2.gz SMHZAVGOPHZWMW-GOSISDBHSA-N 2 2 396.535 3.591 20 0 GHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)[C@H](C)C1 ZINC000424428371 850462902 /nfs/dbraw/zinc/46/29/02/850462902.db2.gz SMHZAVGOPHZWMW-GOSISDBHSA-N 2 2 396.535 3.591 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OC(F)F)c(Br)c2)CC[N@@H+]1C ZINC000180424169 862132310 /nfs/dbraw/zinc/13/23/10/862132310.db2.gz YPWIETHUNVZJOE-DGCLKSJQSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OC(F)F)c(Br)c2)CC[N@H+]1C ZINC000180424169 862132311 /nfs/dbraw/zinc/13/23/11/862132311.db2.gz YPWIETHUNVZJOE-DGCLKSJQSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OC(F)F)c(Br)c2)CC[NH+]1C ZINC000180424169 862132317 /nfs/dbraw/zinc/13/23/17/862132317.db2.gz YPWIETHUNVZJOE-DGCLKSJQSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OC(F)F)c(Br)c2)CC[NH+]1C ZINC000180424169 862132320 /nfs/dbraw/zinc/13/23/20/862132320.db2.gz YPWIETHUNVZJOE-DGCLKSJQSA-N 2 2 377.273 3.965 20 0 GHADLP CCn1ccnc1C[N@H+](C/C=C\c1ccc(F)cc1F)[C@H]1CC12CC[NH2+]CC2 ZINC000435424729 850504708 /nfs/dbraw/zinc/50/47/08/850504708.db2.gz ACWKFVHWFZIXOT-XQQSMPNESA-N 2 2 386.490 3.839 20 0 GHADLP CCn1ccnc1C[N@@H+](C/C=C\c1ccc(F)cc1F)[C@H]1CC12CC[NH2+]CC2 ZINC000435424729 850504711 /nfs/dbraw/zinc/50/47/11/850504711.db2.gz ACWKFVHWFZIXOT-XQQSMPNESA-N 2 2 386.490 3.839 20 0 GHADLP CCCOc1ccc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1OC ZINC000435425992 850507340 /nfs/dbraw/zinc/50/73/40/850507340.db2.gz FNRGNBPXTQNXLU-GOSISDBHSA-N 2 2 389.565 3.861 20 0 GHADLP CCCOc1ccc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1OC ZINC000435425992 850507343 /nfs/dbraw/zinc/50/73/43/850507343.db2.gz FNRGNBPXTQNXLU-GOSISDBHSA-N 2 2 389.565 3.861 20 0 GHADLP CC(C)COc1cccc(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435425939 850507367 /nfs/dbraw/zinc/50/73/67/850507367.db2.gz FQHHJQSJFVQNJU-OAQYLSRUSA-N 2 2 382.552 3.599 20 0 GHADLP CC(C)COc1cccc(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435425939 850507377 /nfs/dbraw/zinc/50/73/77/850507377.db2.gz FQHHJQSJFVQNJU-OAQYLSRUSA-N 2 2 382.552 3.599 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1cccc(OC(C)C)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435436301 850524540 /nfs/dbraw/zinc/52/45/40/850524540.db2.gz FCNHLEQEUGFRQP-NRFANRHFSA-N 2 2 382.552 3.835 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1cccc(OC(C)C)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435436301 850524546 /nfs/dbraw/zinc/52/45/46/850524546.db2.gz FCNHLEQEUGFRQP-NRFANRHFSA-N 2 2 382.552 3.835 20 0 GHADLP C[N@H+](CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435613030 850699074 /nfs/dbraw/zinc/69/90/74/850699074.db2.gz AJSHMTDVXUUJJD-UNMCSNQZSA-N 2 2 385.939 3.620 20 0 GHADLP C[N@@H+](CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435613030 850699084 /nfs/dbraw/zinc/69/90/84/850699084.db2.gz AJSHMTDVXUUJJD-UNMCSNQZSA-N 2 2 385.939 3.620 20 0 GHADLP CCOc1ccccc1NC(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435684338 850750819 /nfs/dbraw/zinc/75/08/19/850750819.db2.gz VAVYKIBUWCNEOS-FQEVSTJZSA-N 2 2 399.560 3.730 20 0 GHADLP CCOc1ccccc1NC(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435684338 850750823 /nfs/dbraw/zinc/75/08/23/850750823.db2.gz VAVYKIBUWCNEOS-FQEVSTJZSA-N 2 2 399.560 3.730 20 0 GHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000505284362 850788925 /nfs/dbraw/zinc/78/89/25/850788925.db2.gz VMBMTHLCWYRJOP-WIYYLYMNSA-N 2 2 378.520 3.779 20 0 GHADLP CN(CC[NH+]1CCCC1)c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000487996635 851075031 /nfs/dbraw/zinc/07/50/31/851075031.db2.gz MNRMXLMZEOEIKS-UHFFFAOYSA-N 2 2 395.576 3.952 20 0 GHADLP OCC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)cc1 ZINC000515534282 851142062 /nfs/dbraw/zinc/14/20/62/851142062.db2.gz SDOLSOAAJBZTNU-FCHUYYIVSA-N 2 2 388.939 3.644 20 0 GHADLP OCC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)cc1 ZINC000515534282 851142069 /nfs/dbraw/zinc/14/20/69/851142069.db2.gz SDOLSOAAJBZTNU-FCHUYYIVSA-N 2 2 388.939 3.644 20 0 GHADLP CCC1(CNC(=O)N(C)CCCn2cc[nH+]c2)CC[NH+](Cc2ccccc2)CC1 ZINC000514021939 851155305 /nfs/dbraw/zinc/15/53/05/851155305.db2.gz GMHRYMHWSGKFLR-UHFFFAOYSA-N 2 2 397.567 3.607 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000515555045 851167463 /nfs/dbraw/zinc/16/74/63/851167463.db2.gz MMAJPNGPUDZKSH-AUSIDOKSSA-N 2 2 395.522 3.868 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000515555045 851167467 /nfs/dbraw/zinc/16/74/67/851167467.db2.gz MMAJPNGPUDZKSH-AUSIDOKSSA-N 2 2 395.522 3.868 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(I)c(Cl)c2)CC1 ZINC000436155996 851268559 /nfs/dbraw/zinc/26/85/59/851268559.db2.gz OMRXKGYSEFFRKR-UHFFFAOYSA-N 2 2 392.712 3.861 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(I)c(Cl)c2)CC1 ZINC000436155996 851268570 /nfs/dbraw/zinc/26/85/70/851268570.db2.gz OMRXKGYSEFFRKR-UHFFFAOYSA-N 2 2 392.712 3.861 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425150481 851500616 /nfs/dbraw/zinc/50/06/16/851500616.db2.gz XZPLTONQNKFHLR-COPCDDAFSA-N 2 2 388.515 3.883 20 0 GHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425150481 851500626 /nfs/dbraw/zinc/50/06/26/851500626.db2.gz XZPLTONQNKFHLR-COPCDDAFSA-N 2 2 388.515 3.883 20 0 GHADLP Cc1ccccc1[C@H](C(C)C)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000488799855 851791953 /nfs/dbraw/zinc/79/19/53/851791953.db2.gz RCVYZFWIAIEMHL-DEOSSOPVSA-N 2 2 394.563 3.758 20 0 GHADLP Cc1ccccc1[C@H](C(C)C)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000488799855 851791959 /nfs/dbraw/zinc/79/19/59/851791959.db2.gz RCVYZFWIAIEMHL-DEOSSOPVSA-N 2 2 394.563 3.758 20 0 GHADLP CC[C@H](C)Oc1ccccc1/C=C\C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559262 862354766 /nfs/dbraw/zinc/35/47/66/862354766.db2.gz JVRBZKPNBYZNMI-AZNNBTMVSA-N 2 2 399.579 3.504 20 0 GHADLP CC[C@H](C)Oc1ccccc1/C=C\C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559262 862354787 /nfs/dbraw/zinc/35/47/87/862354787.db2.gz JVRBZKPNBYZNMI-AZNNBTMVSA-N 2 2 399.579 3.504 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000517798794 852437407 /nfs/dbraw/zinc/43/74/07/852437407.db2.gz OTNBSSIOIQJPIU-QFIPXVFZSA-N 2 2 376.504 3.631 20 0 GHADLP CC[C@H](C)Oc1ccccc1/C=C\C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559264 862357082 /nfs/dbraw/zinc/35/70/82/862357082.db2.gz JVRBZKPNBYZNMI-GUNAXGTHSA-N 2 2 399.579 3.504 20 0 GHADLP CC[C@H](C)Oc1ccccc1/C=C\C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559264 862357099 /nfs/dbraw/zinc/35/70/99/862357099.db2.gz JVRBZKPNBYZNMI-GUNAXGTHSA-N 2 2 399.579 3.504 20 0 GHADLP C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[N@@H+]1CCCC[C@H]1C ZINC000426030545 852453407 /nfs/dbraw/zinc/45/34/07/852453407.db2.gz UQJMYXQJNRVJFC-MCEIDBOGSA-N 2 2 395.551 3.674 20 0 GHADLP C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[N@H+]1CCCC[C@H]1C ZINC000426030545 852453417 /nfs/dbraw/zinc/45/34/17/852453417.db2.gz UQJMYXQJNRVJFC-MCEIDBOGSA-N 2 2 395.551 3.674 20 0 GHADLP C[C@]1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000506264386 852525173 /nfs/dbraw/zinc/52/51/73/852525173.db2.gz OHHQVPNQUMSCSF-XMMPIXPASA-N 2 2 388.515 3.716 20 0 GHADLP C[C@]1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCC[N@H+]1Cc1ccccc1 ZINC000506264386 852525180 /nfs/dbraw/zinc/52/51/80/852525180.db2.gz OHHQVPNQUMSCSF-XMMPIXPASA-N 2 2 388.515 3.716 20 0 GHADLP CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000517956793 852658019 /nfs/dbraw/zinc/65/80/19/852658019.db2.gz JFBCVNHJNLXBKG-AVRDEDQJSA-N 2 2 383.536 3.557 20 0 GHADLP CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000517956793 852658023 /nfs/dbraw/zinc/65/80/23/852658023.db2.gz JFBCVNHJNLXBKG-AVRDEDQJSA-N 2 2 383.536 3.557 20 0 GHADLP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000517956793 852658026 /nfs/dbraw/zinc/65/80/26/852658026.db2.gz JFBCVNHJNLXBKG-AVRDEDQJSA-N 2 2 383.536 3.557 20 0 GHADLP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000517956793 852658030 /nfs/dbraw/zinc/65/80/30/852658030.db2.gz JFBCVNHJNLXBKG-AVRDEDQJSA-N 2 2 383.536 3.557 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490088911 852765241 /nfs/dbraw/zinc/76/52/41/852765241.db2.gz NALMFXGCXGGLJF-IBGZPJMESA-N 2 2 389.341 3.519 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490088911 852765245 /nfs/dbraw/zinc/76/52/45/852765245.db2.gz NALMFXGCXGGLJF-IBGZPJMESA-N 2 2 389.341 3.519 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CCCC1)c1ccccc1 ZINC000438834016 852943507 /nfs/dbraw/zinc/94/35/07/852943507.db2.gz QVRLGCOPLGTOAB-DFQSSKMNSA-N 2 2 378.582 3.595 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1nnc2n1CCCCC2 ZINC000507474584 852948121 /nfs/dbraw/zinc/94/81/21/852948121.db2.gz XSUWRAZQESPIQT-LNRXMEIDSA-N 2 2 393.579 3.956 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1nnc2n1CCCCC2 ZINC000507474584 852948123 /nfs/dbraw/zinc/94/81/23/852948123.db2.gz XSUWRAZQESPIQT-LNRXMEIDSA-N 2 2 393.579 3.956 20 0 GHADLP CC(C)[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc(F)c1 ZINC000516744994 852965670 /nfs/dbraw/zinc/96/56/70/852965670.db2.gz KDEXABVZKWAANQ-UHFFFAOYSA-N 2 2 399.510 3.507 20 0 GHADLP CC(C)[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc(F)c1 ZINC000516744994 852965674 /nfs/dbraw/zinc/96/56/74/852965674.db2.gz KDEXABVZKWAANQ-UHFFFAOYSA-N 2 2 399.510 3.507 20 0 GHADLP COc1ccccc1-c1ncc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000490584299 853114195 /nfs/dbraw/zinc/11/41/95/853114195.db2.gz XIAIBQHHZZLYEI-UHFFFAOYSA-N 2 2 385.471 3.687 20 0 GHADLP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000427448997 853122624 /nfs/dbraw/zinc/12/26/24/853122624.db2.gz LYOZCCYMJLDRJS-UHFFFAOYSA-N 2 2 382.430 3.609 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N3[C@@H](C)CCC[C@@H]3C)C2)s1 ZINC000516894250 853135250 /nfs/dbraw/zinc/13/52/50/853135250.db2.gz VUPPSJZMLUYHEB-JENIJYKNSA-N 2 2 377.598 3.600 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N3[C@@H](C)CCC[C@@H]3C)C2)s1 ZINC000516894250 853135259 /nfs/dbraw/zinc/13/52/59/853135259.db2.gz VUPPSJZMLUYHEB-JENIJYKNSA-N 2 2 377.598 3.600 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N3[C@@H](C)CCC[C@@H]3C)C2)s1 ZINC000516894250 853135268 /nfs/dbraw/zinc/13/52/68/853135268.db2.gz VUPPSJZMLUYHEB-JENIJYKNSA-N 2 2 377.598 3.600 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N3[C@@H](C)CCC[C@@H]3C)C2)s1 ZINC000516894250 853135273 /nfs/dbraw/zinc/13/52/73/853135273.db2.gz VUPPSJZMLUYHEB-JENIJYKNSA-N 2 2 377.598 3.600 20 0 GHADLP C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506051142 853162521 /nfs/dbraw/zinc/16/25/21/853162521.db2.gz HYNRZYIOVUQTJB-INIZCTEOSA-N 2 2 390.553 3.684 20 0 GHADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439036437 853212797 /nfs/dbraw/zinc/21/27/97/853212797.db2.gz BTHLJTXQQPDAKZ-SJLPKXTDSA-N 2 2 379.508 3.587 20 0 GHADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439036437 853212805 /nfs/dbraw/zinc/21/28/05/853212805.db2.gz BTHLJTXQQPDAKZ-SJLPKXTDSA-N 2 2 379.508 3.587 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N3CCc4ccccc43)C2)s1 ZINC000516996991 853243560 /nfs/dbraw/zinc/24/35/60/853243560.db2.gz ZKPWXRUDAMJBKV-OALUTQOASA-N 2 2 397.588 3.788 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)N3CCc4ccccc43)C2)s1 ZINC000516996991 853243567 /nfs/dbraw/zinc/24/35/67/853243567.db2.gz ZKPWXRUDAMJBKV-OALUTQOASA-N 2 2 397.588 3.788 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)N3CCc4ccccc43)C2)s1 ZINC000516996991 853243570 /nfs/dbraw/zinc/24/35/70/853243570.db2.gz ZKPWXRUDAMJBKV-OALUTQOASA-N 2 2 397.588 3.788 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)N3CCc4ccccc43)C2)s1 ZINC000516996991 853243573 /nfs/dbraw/zinc/24/35/73/853243573.db2.gz ZKPWXRUDAMJBKV-OALUTQOASA-N 2 2 397.588 3.788 20 0 GHADLP Cc1cc(CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000518355949 853260418 /nfs/dbraw/zinc/26/04/18/853260418.db2.gz MZMLMKHGMRRUHB-NRFANRHFSA-N 2 2 380.536 3.800 20 0 GHADLP Cc1cc(CNC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000518355949 853260423 /nfs/dbraw/zinc/26/04/23/853260423.db2.gz MZMLMKHGMRRUHB-NRFANRHFSA-N 2 2 380.536 3.800 20 0 GHADLP CCc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1Cl ZINC000490794012 853266653 /nfs/dbraw/zinc/26/66/53/853266653.db2.gz FNHSQVOQKSAHQH-UHFFFAOYSA-N 2 2 392.975 3.974 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC2([NH+](C)C)CCCCC2)c(C)c1 ZINC000440822041 853643383 /nfs/dbraw/zinc/64/33/83/853643383.db2.gz JXLMUVZAHRSIAT-OAQYLSRUSA-N 2 2 397.567 3.805 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCC[C@@H](C(C)(C)C)CC3)CC2)CC1 ZINC000188177105 853819077 /nfs/dbraw/zinc/81/90/77/853819077.db2.gz JVVXELXDTPNDNU-RTBURBONSA-N 2 2 392.632 3.839 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(-c4ccc(F)cc4)cc3F)C2)CC1 ZINC000732781856 862507545 /nfs/dbraw/zinc/50/75/45/862507545.db2.gz UQPKZBHGKMMCKM-LJQANCHMSA-N 2 2 399.485 3.530 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(-c4ccc(F)cc4)cc3F)C2)CC1 ZINC000732781856 862507553 /nfs/dbraw/zinc/50/75/53/862507553.db2.gz UQPKZBHGKMMCKM-LJQANCHMSA-N 2 2 399.485 3.530 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NCc2cccs2)c(C)c1 ZINC000441376392 854160416 /nfs/dbraw/zinc/16/04/16/854160416.db2.gz JXZRMWATRVDFCA-YLJYHZDGSA-N 2 2 382.533 3.597 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000164756608 854284391 /nfs/dbraw/zinc/28/43/91/854284391.db2.gz DKYGHWNNULBCHZ-QAPCUYQASA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000164756608 854284398 /nfs/dbraw/zinc/28/43/98/854284398.db2.gz DKYGHWNNULBCHZ-QAPCUYQASA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000164756608 854284405 /nfs/dbraw/zinc/28/44/05/854284405.db2.gz DKYGHWNNULBCHZ-QAPCUYQASA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000164756608 854284411 /nfs/dbraw/zinc/28/44/11/854284411.db2.gz DKYGHWNNULBCHZ-QAPCUYQASA-N 2 2 394.350 3.934 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(Br)cc1 ZINC000588687353 854359079 /nfs/dbraw/zinc/35/90/79/854359079.db2.gz DSKMYYHRPSJZNF-HNAYVOBHSA-N 2 2 377.326 3.593 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(Br)cc1 ZINC000588687353 854359082 /nfs/dbraw/zinc/35/90/82/854359082.db2.gz DSKMYYHRPSJZNF-HNAYVOBHSA-N 2 2 377.326 3.593 20 0 GHADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3csc(-c4ccco4)n3)CC2)C[C@H](C)O1 ZINC000588709400 854368865 /nfs/dbraw/zinc/36/88/65/854368865.db2.gz ARBYRUWRYTXCMB-IYBDPMFKSA-N 2 2 375.538 3.724 20 0 GHADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3csc(-c4ccco4)n3)CC2)C[C@H](C)O1 ZINC000588709400 854368872 /nfs/dbraw/zinc/36/88/72/854368872.db2.gz ARBYRUWRYTXCMB-IYBDPMFKSA-N 2 2 375.538 3.724 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156833173 854403297 /nfs/dbraw/zinc/40/32/97/854403297.db2.gz GWFUFZREKSFDIZ-AUUYWEPGSA-N 2 2 399.878 3.681 20 0 GHADLP COc1cc2cc[nH+]c(N3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)c2cc1F ZINC000572276219 854470021 /nfs/dbraw/zinc/47/00/21/854470021.db2.gz DKPIGIFHXCJQKB-HOTGVXAUSA-N 2 2 387.499 3.708 20 0 GHADLP CC[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167995508 854474752 /nfs/dbraw/zinc/47/47/52/854474752.db2.gz IAYCTGXKKGRVLK-GURQWTFNSA-N 2 2 377.573 3.723 20 0 GHADLP CC[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167995508 854474756 /nfs/dbraw/zinc/47/47/56/854474756.db2.gz IAYCTGXKKGRVLK-GURQWTFNSA-N 2 2 377.573 3.723 20 0 GHADLP CC[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167995508 854474763 /nfs/dbraw/zinc/47/47/63/854474763.db2.gz IAYCTGXKKGRVLK-GURQWTFNSA-N 2 2 377.573 3.723 20 0 GHADLP CC[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167995508 854474772 /nfs/dbraw/zinc/47/47/72/854474772.db2.gz IAYCTGXKKGRVLK-GURQWTFNSA-N 2 2 377.573 3.723 20 0 GHADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000481964293 862571364 /nfs/dbraw/zinc/57/13/64/862571364.db2.gz DKVMYKAEJSELEY-QZTJIDSGSA-N 2 2 395.613 3.679 20 0 GHADLP CN(C(=O)C1CC(C(C)(C)C)C1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001128011836 854824356 /nfs/dbraw/zinc/82/43/56/854824356.db2.gz SXHLZENHMLXYDX-RRIIRSAJSA-N 2 2 377.617 3.854 20 0 GHADLP CN(C(=O)C1CC(C(C)(C)C)C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001128011836 854824360 /nfs/dbraw/zinc/82/43/60/854824360.db2.gz SXHLZENHMLXYDX-RRIIRSAJSA-N 2 2 377.617 3.854 20 0 GHADLP Cc1ccccc1C[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001128011917 854825202 /nfs/dbraw/zinc/82/52/02/854825202.db2.gz UVSMDOKTHRMCTF-ZTCOLXNVSA-N 2 2 399.623 3.969 20 0 GHADLP Cc1ccccc1C[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001128011917 854825203 /nfs/dbraw/zinc/82/52/03/854825203.db2.gz UVSMDOKTHRMCTF-ZTCOLXNVSA-N 2 2 399.623 3.969 20 0 GHADLP C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001128011907 854825290 /nfs/dbraw/zinc/82/52/90/854825290.db2.gz UUWQDHCEMJRMDT-YUQCVWRMSA-N 2 2 377.617 3.854 20 0 GHADLP C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001128011907 854825295 /nfs/dbraw/zinc/82/52/95/854825295.db2.gz UUWQDHCEMJRMDT-YUQCVWRMSA-N 2 2 377.617 3.854 20 0 GHADLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000156985125 854864323 /nfs/dbraw/zinc/86/43/23/854864323.db2.gz FZBUQEAHYASJHK-IBGZPJMESA-N 2 2 398.463 3.990 20 0 GHADLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000156985125 854864328 /nfs/dbraw/zinc/86/43/28/854864328.db2.gz FZBUQEAHYASJHK-IBGZPJMESA-N 2 2 398.463 3.990 20 0 GHADLP C[NH+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000156985125 854864330 /nfs/dbraw/zinc/86/43/30/854864330.db2.gz FZBUQEAHYASJHK-IBGZPJMESA-N 2 2 398.463 3.990 20 0 GHADLP C[NH+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000156985125 854864334 /nfs/dbraw/zinc/86/43/34/854864334.db2.gz FZBUQEAHYASJHK-IBGZPJMESA-N 2 2 398.463 3.990 20 0 GHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000590851777 855615342 /nfs/dbraw/zinc/61/53/42/855615342.db2.gz MNQUUPFYCFGUKF-QFIPXVFZSA-N 2 2 395.551 3.662 20 0 GHADLP CCOC(=O)c1nc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cs1 ZINC000573160265 855934499 /nfs/dbraw/zinc/93/44/99/855934499.db2.gz RFJZQCTYRJOVNP-UHFFFAOYSA-N 2 2 399.560 3.808 20 0 GHADLP CCOC(=O)c1nc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cs1 ZINC000573160265 855934507 /nfs/dbraw/zinc/93/45/07/855934507.db2.gz RFJZQCTYRJOVNP-UHFFFAOYSA-N 2 2 399.560 3.808 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000760841842 856159082 /nfs/dbraw/zinc/15/90/82/856159082.db2.gz ZYFSORUCPDFFOI-PUHATCMVSA-N 2 2 383.580 3.764 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000760841842 856159093 /nfs/dbraw/zinc/15/90/93/856159093.db2.gz ZYFSORUCPDFFOI-PUHATCMVSA-N 2 2 383.580 3.764 20 0 GHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000760841842 856159099 /nfs/dbraw/zinc/15/90/99/856159099.db2.gz ZYFSORUCPDFFOI-PUHATCMVSA-N 2 2 383.580 3.764 20 0 GHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000760841842 856159107 /nfs/dbraw/zinc/15/91/07/856159107.db2.gz ZYFSORUCPDFFOI-PUHATCMVSA-N 2 2 383.580 3.764 20 0 GHADLP Cc1ccccc1[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC001168656969 856225649 /nfs/dbraw/zinc/22/56/49/856225649.db2.gz JHVRGWSBLXDMAV-HSZRJFAPSA-N 2 2 394.563 3.806 20 0 GHADLP CC1CC[NH+](C2CCC(NC(=O)N3CCC(Nc4cccc[nH+]4)CC3)CC2)CC1 ZINC000921621735 856304845 /nfs/dbraw/zinc/30/48/45/856304845.db2.gz QRPGZPWHFAROJT-UHFFFAOYSA-N 2 2 399.583 3.711 20 0 GHADLP FC(F)(F)C1CC[NH+](C2CC(Nc3nc4ccccc4n4c[nH+]cc34)C2)CC1 ZINC000624171373 862793656 /nfs/dbraw/zinc/79/36/56/862793656.db2.gz UXZHOVRFFVULGS-UHFFFAOYSA-N 2 2 389.425 3.522 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000573707801 856448210 /nfs/dbraw/zinc/44/82/10/856448210.db2.gz LFOAQWQGAFBLFX-FGZHOGPDSA-N 2 2 388.515 3.885 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000111043457 856755452 /nfs/dbraw/zinc/75/54/52/856755452.db2.gz FLDZLAFPYGMYHP-OAQYLSRUSA-N 2 2 380.467 3.711 20 0 GHADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000665252776 857007127 /nfs/dbraw/zinc/00/71/27/857007127.db2.gz YTPFEKZMMDYJRS-RRMPHLOHSA-N 2 2 387.474 3.726 20 0 GHADLP CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)Cn1ccc(-c2nccs2)n1 ZINC000766097889 857073196 /nfs/dbraw/zinc/07/31/96/857073196.db2.gz ZWYUIDQLCFAZNG-LJQANCHMSA-N 2 2 381.549 3.808 20 0 GHADLP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)Cn1ccc(-c2nccs2)n1 ZINC000766097889 857073205 /nfs/dbraw/zinc/07/32/05/857073205.db2.gz ZWYUIDQLCFAZNG-LJQANCHMSA-N 2 2 381.549 3.808 20 0 GHADLP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)Cn1ccc(-c2nccs2)n1 ZINC000766097889 857073211 /nfs/dbraw/zinc/07/32/11/857073211.db2.gz ZWYUIDQLCFAZNG-LJQANCHMSA-N 2 2 381.549 3.808 20 0 GHADLP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1ccc(-c2nccs2)n1 ZINC000766097889 857073218 /nfs/dbraw/zinc/07/32/18/857073218.db2.gz ZWYUIDQLCFAZNG-LJQANCHMSA-N 2 2 381.549 3.808 20 0 GHADLP C[NH+]1CCC(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000172773424 857132670 /nfs/dbraw/zinc/13/26/70/857132670.db2.gz DOJGBRAPTGIGKC-UHFFFAOYSA-N 2 2 388.515 3.556 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000112681734 857183388 /nfs/dbraw/zinc/18/33/88/857183388.db2.gz CKCSRDPAHRBIQW-UHFFFAOYSA-N 2 2 380.536 3.843 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000112681734 857183394 /nfs/dbraw/zinc/18/33/94/857183394.db2.gz CKCSRDPAHRBIQW-UHFFFAOYSA-N 2 2 380.536 3.843 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+]3CCC[C@@H]3C3CCC3)n2)CC1 ZINC000428209052 857209930 /nfs/dbraw/zinc/20/99/30/857209930.db2.gz ROIOLIWHWRXOMD-GOSISDBHSA-N 2 2 376.570 3.578 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+]3CCC[C@@H]3C3CCC3)n2)CC1 ZINC000428209052 857209936 /nfs/dbraw/zinc/20/99/36/857209936.db2.gz ROIOLIWHWRXOMD-GOSISDBHSA-N 2 2 376.570 3.578 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1coc2ccc3ccccc3c12 ZINC000112921408 857227985 /nfs/dbraw/zinc/22/79/85/857227985.db2.gz ZZYRSRMBIQMSEJ-UHFFFAOYSA-N 2 2 393.531 3.613 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1coc2ccc3ccccc3c12 ZINC000112921408 857227992 /nfs/dbraw/zinc/22/79/92/857227992.db2.gz ZZYRSRMBIQMSEJ-UHFFFAOYSA-N 2 2 393.531 3.613 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000429255676 857454134 /nfs/dbraw/zinc/45/41/34/857454134.db2.gz OELFLBAVBSFFNE-UHFFFAOYSA-N 2 2 397.548 3.920 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000429255676 857454141 /nfs/dbraw/zinc/45/41/41/857454141.db2.gz OELFLBAVBSFFNE-UHFFFAOYSA-N 2 2 397.548 3.920 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3cccc(OC(F)F)c3)CC2)c1 ZINC000060946972 857489899 /nfs/dbraw/zinc/48/98/99/857489899.db2.gz URQCUAGTLVBYML-UHFFFAOYSA-N 2 2 389.490 3.898 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)NCC1(c2ccccc2)CCCCC1 ZINC000675620772 857525781 /nfs/dbraw/zinc/52/57/81/857525781.db2.gz LSCBSFLCTGYRLV-NRFANRHFSA-N 2 2 380.536 3.538 20 0 GHADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)NCC1(c2ccccc2)CCCCC1 ZINC000675620772 857525788 /nfs/dbraw/zinc/52/57/88/857525788.db2.gz LSCBSFLCTGYRLV-NRFANRHFSA-N 2 2 380.536 3.538 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000675710794 857574815 /nfs/dbraw/zinc/57/48/15/857574815.db2.gz NDQNNPRNNIGJQI-FQEVSTJZSA-N 2 2 398.595 3.688 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000675710794 857574818 /nfs/dbraw/zinc/57/48/18/857574818.db2.gz NDQNNPRNNIGJQI-FQEVSTJZSA-N 2 2 398.595 3.688 20 0 GHADLP CC(C)(C)OC(=O)[C@](C)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000593681194 857656782 /nfs/dbraw/zinc/65/67/82/857656782.db2.gz WGBDBGMRNWWDDU-XMMPIXPASA-N 2 2 395.547 3.940 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668638698 857872309 /nfs/dbraw/zinc/87/23/09/857872309.db2.gz ARLWQGIPNJEKRA-CTNGQTDRSA-N 2 2 391.987 3.754 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668638698 857872311 /nfs/dbraw/zinc/87/23/11/857872311.db2.gz ARLWQGIPNJEKRA-CTNGQTDRSA-N 2 2 391.987 3.754 20 0 GHADLP COc1cc2c(cc1C[NH2+]Cc1ccc(-n3cc[nH+]c3C)c(F)c1)O[C@@H](C)C2 ZINC000067977639 858092277 /nfs/dbraw/zinc/09/22/77/858092277.db2.gz IMJBWEUJAULLBM-AWEZNQCLSA-N 2 2 381.451 3.942 20 0 GHADLP CC(C)CNC(=O)c1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000543063482 858163459 /nfs/dbraw/zinc/16/34/59/858163459.db2.gz PFPVRGHNCFTJEE-UHFFFAOYSA-N 2 2 382.552 3.961 20 0 GHADLP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000674092564 862998358 /nfs/dbraw/zinc/99/83/58/862998358.db2.gz OUUNQYXQPUIFIW-SFTDATJTSA-N 2 2 391.987 3.707 20 0 GHADLP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000674092564 862998366 /nfs/dbraw/zinc/99/83/66/862998366.db2.gz OUUNQYXQPUIFIW-SFTDATJTSA-N 2 2 391.987 3.707 20 0 GHADLP C[NH+]1CCN([C@@H](C[NH2+]Cc2nc(-c3ccccc3)cs2)c2cccs2)CC1 ZINC000521805586 858330726 /nfs/dbraw/zinc/33/07/26/858330726.db2.gz LFJNWLDSDZPKGN-IBGZPJMESA-N 2 2 398.601 3.950 20 0 GHADLP CC[C@H](C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[NH+](CC)CC ZINC000605425064 863022499 /nfs/dbraw/zinc/02/24/99/863022499.db2.gz RFEGQAYKTGQSJX-QZTJIDSGSA-N 2 2 383.939 3.853 20 0 GHADLP Clc1cnc2oc(C[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)cc2c1 ZINC000648413210 858691906 /nfs/dbraw/zinc/69/19/06/858691906.db2.gz HXIUQAISXKLSBH-UHFFFAOYSA-N 2 2 384.911 3.783 20 0 GHADLP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000181930644 863058709 /nfs/dbraw/zinc/05/87/09/863058709.db2.gz VQJJELJJUAGKLA-IBGZPJMESA-N 2 2 380.536 3.508 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(Cl)c(Cl)c1Cl ZINC000482638804 858712730 /nfs/dbraw/zinc/71/27/30/858712730.db2.gz CCRKTBSQYNHZFD-GXFFZTMASA-N 2 2 378.731 3.637 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(Cl)c(Cl)c1Cl ZINC000482638804 858712737 /nfs/dbraw/zinc/71/27/37/858712737.db2.gz CCRKTBSQYNHZFD-GXFFZTMASA-N 2 2 378.731 3.637 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(-c2ccccc2F)s1 ZINC000482644648 858719281 /nfs/dbraw/zinc/71/92/81/858719281.db2.gz DUMFGZUMCFGYEJ-RHSMWYFYSA-N 2 2 375.513 3.545 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(-c2ccccc2F)s1 ZINC000482644648 858719287 /nfs/dbraw/zinc/71/92/87/858719287.db2.gz DUMFGZUMCFGYEJ-RHSMWYFYSA-N 2 2 375.513 3.545 20 0 GHADLP Brc1ccccc1OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000093988798 858933764 /nfs/dbraw/zinc/93/37/64/858933764.db2.gz IVFKGLRPYOPGCC-QAPCUYQASA-N 2 2 379.342 3.777 20 0 GHADLP Brc1ccccc1OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000093988798 858933771 /nfs/dbraw/zinc/93/37/71/858933771.db2.gz IVFKGLRPYOPGCC-QAPCUYQASA-N 2 2 379.342 3.777 20 0 GHADLP Brc1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000093988798 858933780 /nfs/dbraw/zinc/93/37/80/858933780.db2.gz IVFKGLRPYOPGCC-QAPCUYQASA-N 2 2 379.342 3.777 20 0 GHADLP Brc1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000093988798 858933785 /nfs/dbraw/zinc/93/37/85/858933785.db2.gz IVFKGLRPYOPGCC-QAPCUYQASA-N 2 2 379.342 3.777 20 0 GHADLP CC(=O)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443606461 859054442 /nfs/dbraw/zinc/05/44/42/859054442.db2.gz XRWKYSBHEHVRHI-SFHVURJKSA-N 2 2 385.552 3.804 20 0 GHADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000479432501 859071241 /nfs/dbraw/zinc/07/12/41/859071241.db2.gz QSUXPFUVVSSDOT-RBBKRZOGSA-N 2 2 396.531 3.572 20 0 GHADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000479432501 859071245 /nfs/dbraw/zinc/07/12/45/859071245.db2.gz QSUXPFUVVSSDOT-RBBKRZOGSA-N 2 2 396.531 3.572 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000727468639 859225383 /nfs/dbraw/zinc/22/53/83/859225383.db2.gz WDCFUVXKOKMEDM-UHFFFAOYSA-N 2 2 384.524 3.999 20 0 GHADLP C[C@@H]1CC([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168026017 859274033 /nfs/dbraw/zinc/27/40/33/859274033.db2.gz KZAGPLJCMXLEPY-WOJBJXKFSA-N 4 2 388.644 3.903 20 0 GHADLP CC(C)c1ccc(SCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601474077 859284167 /nfs/dbraw/zinc/28/41/67/859284167.db2.gz LQZDRNTUNRYKLF-HXUWFJFHSA-N 2 2 389.609 3.529 20 0 GHADLP CC(C)c1ccc(SCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601474077 859284179 /nfs/dbraw/zinc/28/41/79/859284179.db2.gz LQZDRNTUNRYKLF-HXUWFJFHSA-N 2 2 389.609 3.529 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3Cc4cccc(Cl)c4C3)CC2)C1 ZINC001168720173 859413370 /nfs/dbraw/zinc/41/33/70/859413370.db2.gz GYHMGGGKXPUMJR-PKOBYXMFSA-N 2 2 390.955 3.547 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H]3Cc4cccc(Cl)c4C3)CC2)C1 ZINC001168720173 859413374 /nfs/dbraw/zinc/41/33/74/859413374.db2.gz GYHMGGGKXPUMJR-PKOBYXMFSA-N 2 2 390.955 3.547 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000764571866 859507135 /nfs/dbraw/zinc/50/71/35/859507135.db2.gz LGFXNJDSOFMZMA-HOTGVXAUSA-N 2 2 384.505 3.656 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000543393245 859537072 /nfs/dbraw/zinc/53/70/72/859537072.db2.gz CTGBAYRXXHFCSH-UHFFFAOYSA-N 2 2 395.938 3.937 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000543393245 859537090 /nfs/dbraw/zinc/53/70/90/859537090.db2.gz CTGBAYRXXHFCSH-UHFFFAOYSA-N 2 2 395.938 3.937 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000543393245 859537094 /nfs/dbraw/zinc/53/70/94/859537094.db2.gz CTGBAYRXXHFCSH-UHFFFAOYSA-N 2 2 395.938 3.937 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000543393245 859537101 /nfs/dbraw/zinc/53/71/01/859537101.db2.gz CTGBAYRXXHFCSH-UHFFFAOYSA-N 2 2 395.938 3.937 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000483837582 859654605 /nfs/dbraw/zinc/65/46/05/859654605.db2.gz WLRLBAZCAISMJY-CVEARBPZSA-N 2 2 384.505 3.656 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC000484176524 859847567 /nfs/dbraw/zinc/84/75/67/859847567.db2.gz SDJWHSFWAACEMJ-RDTXWAMCSA-N 2 2 395.366 3.798 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC000484176524 859847573 /nfs/dbraw/zinc/84/75/73/859847573.db2.gz SDJWHSFWAACEMJ-RDTXWAMCSA-N 2 2 395.366 3.798 20 0 GHADLP CCC(CC)(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000602197532 859860396 /nfs/dbraw/zinc/86/03/96/859860396.db2.gz VFFZAQNWBWRPDO-LJQANCHMSA-N 2 2 391.987 3.683 20 0 GHADLP CCC(CC)(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000602197532 859860403 /nfs/dbraw/zinc/86/04/03/859860403.db2.gz VFFZAQNWBWRPDO-LJQANCHMSA-N 2 2 391.987 3.683 20 0 GHADLP Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)n1C1CCCCC1 ZINC000602199786 859860903 /nfs/dbraw/zinc/86/09/03/859860903.db2.gz ACZIPPHGSWGFNS-IBGZPJMESA-N 2 2 386.584 3.508 20 0 GHADLP Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)n1C1CCCCC1 ZINC000602199786 859860916 /nfs/dbraw/zinc/86/09/16/859860916.db2.gz ACZIPPHGSWGFNS-IBGZPJMESA-N 2 2 386.584 3.508 20 0 GHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765252077 859866655 /nfs/dbraw/zinc/86/66/55/859866655.db2.gz QCUFEZUCSIXNKN-XJKSGUPXSA-N 2 2 385.480 3.645 20 0 GHADLP COc1ccc2c(NCc3cccc(OCC[NH+]4CCOCC4)c3)cc[nH+]c2c1 ZINC000765476591 859987189 /nfs/dbraw/zinc/98/71/89/859987189.db2.gz YCXRVZDNRUXLAF-UHFFFAOYSA-N 2 2 393.487 3.567 20 0 GHADLP CSc1ccccc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000194871884 860008274 /nfs/dbraw/zinc/00/82/74/860008274.db2.gz IBEHGTIOTIYSNS-SFHVURJKSA-N 2 2 386.561 3.970 20 0 GHADLP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000053088371 860024323 /nfs/dbraw/zinc/02/43/23/860024323.db2.gz MKDUPVYIECEWCZ-SFHVURJKSA-N 2 2 399.510 3.680 20 0 GHADLP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000053088371 860024337 /nfs/dbraw/zinc/02/43/37/860024337.db2.gz MKDUPVYIECEWCZ-SFHVURJKSA-N 2 2 399.510 3.680 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCOCC3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168034521 860035523 /nfs/dbraw/zinc/03/55/23/860035523.db2.gz QGDWUQWRWNIYKT-GQEURGSBSA-N 3 2 399.623 3.909 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCOCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034521 860035535 /nfs/dbraw/zinc/03/55/35/860035535.db2.gz QGDWUQWRWNIYKT-GQEURGSBSA-N 3 2 399.623 3.909 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(Br)c2OC(F)F)CC1 ZINC000154916910 860061914 /nfs/dbraw/zinc/06/19/14/860061914.db2.gz LORIDYJYBBZJDD-UHFFFAOYSA-N 2 2 377.273 3.967 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(Br)c2OC(F)F)CC1 ZINC000154916910 860061922 /nfs/dbraw/zinc/06/19/22/860061922.db2.gz LORIDYJYBBZJDD-UHFFFAOYSA-N 2 2 377.273 3.967 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3ccccc3C[NH+]3CCCCCC3)[nH+]c12 ZINC000602699019 860210610 /nfs/dbraw/zinc/21/06/10/860210610.db2.gz NBACFNFBUXBKJC-UHFFFAOYSA-N 2 2 390.531 3.878 20 0 GHADLP [NH3+]CC1([C@@H]2CCCCN2C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCC1 ZINC000904278310 860307473 /nfs/dbraw/zinc/30/74/73/860307473.db2.gz GYMQXBKFYRDKBV-KRWDZBQOSA-N 2 2 391.585 3.644 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000191832236 860359797 /nfs/dbraw/zinc/35/97/97/860359797.db2.gz PJUJOFDKPFPHHS-GBXCKJPGSA-N 2 2 398.547 3.654 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000191832236 860359806 /nfs/dbraw/zinc/35/98/06/860359806.db2.gz PJUJOFDKPFPHHS-GBXCKJPGSA-N 2 2 398.547 3.654 20 0 GHADLP CN(Cc1ccccc1)C1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCOCC1 ZINC000922745310 860549625 /nfs/dbraw/zinc/54/96/25/860549625.db2.gz LXPIWORPKSWALX-UHFFFAOYSA-N 2 2 396.560 3.705 20 0 GHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428981662 860592801 /nfs/dbraw/zinc/59/28/01/860592801.db2.gz ZJRFUILIRAWPGN-NRFANRHFSA-N 2 2 397.567 3.517 20 0 GHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428981662 860592810 /nfs/dbraw/zinc/59/28/10/860592810.db2.gz ZJRFUILIRAWPGN-NRFANRHFSA-N 2 2 397.567 3.517 20 0 GHADLP COC(=O)CC1CCC([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CC1 ZINC000599035825 860751923 /nfs/dbraw/zinc/75/19/23/860751923.db2.gz UYVDNTILPXVQPA-JSOIOWGOSA-N 2 2 388.552 3.598 20 0 GHADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)cc1OC ZINC000474797852 860785890 /nfs/dbraw/zinc/78/58/90/860785890.db2.gz VOCGVCDMPPYADZ-IRXDYDNUSA-N 2 2 378.557 3.675 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)NCCCCn2cc[nH+]c2)CCCC1)c1ccccc1 ZINC000603592666 860881767 /nfs/dbraw/zinc/88/17/67/860881767.db2.gz BTTFWBHKUBUESG-IBGZPJMESA-N 2 2 383.540 3.626 20 0 GHADLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2C[C@H](C)C[C@H]2CC)c1=S ZINC000072918459 860942632 /nfs/dbraw/zinc/94/26/32/860942632.db2.gz RGRJIXDGEVINEG-QZTJIDSGSA-N 2 2 377.602 3.706 20 0 GHADLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2C[C@H](C)C[C@H]2CC)c1=S ZINC000072918459 860942645 /nfs/dbraw/zinc/94/26/45/860942645.db2.gz RGRJIXDGEVINEG-QZTJIDSGSA-N 2 2 377.602 3.706 20 0 GHADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)nnn1-c1ccccc1 ZINC000482440566 863125699 /nfs/dbraw/zinc/12/56/99/863125699.db2.gz QWPRJERLEWGALT-UGKGYDQZSA-N 2 2 389.547 3.791 20 0 GHADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nnn1-c1ccccc1 ZINC000482440566 863125704 /nfs/dbraw/zinc/12/57/04/863125704.db2.gz QWPRJERLEWGALT-UGKGYDQZSA-N 2 2 389.547 3.791 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)nnn1-c1ccccc1 ZINC000482440562 863125935 /nfs/dbraw/zinc/12/59/35/863125935.db2.gz QWPRJERLEWGALT-KNQAVFIVSA-N 2 2 389.547 3.791 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nnn1-c1ccccc1 ZINC000482440562 863125941 /nfs/dbraw/zinc/12/59/41/863125941.db2.gz QWPRJERLEWGALT-KNQAVFIVSA-N 2 2 389.547 3.791 20 0 GHADLP Cc1ccc([C@H](Cc2ccccc2)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1C ZINC000482632377 863407124 /nfs/dbraw/zinc/40/71/24/863407124.db2.gz FVQOAEYHCFPLAX-XZOQPEGZSA-N 2 2 379.548 3.517 20 0 GHADLP Cc1ccc([C@H](Cc2ccccc2)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1C ZINC000482632377 863407130 /nfs/dbraw/zinc/40/71/30/863407130.db2.gz FVQOAEYHCFPLAX-XZOQPEGZSA-N 2 2 379.548 3.517 20 0 GHADLP C[C@@H]1C[C@@H](N2CC[NH+](Cc3ccncc3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168050940 863525385 /nfs/dbraw/zinc/52/53/85/863525385.db2.gz DNUCCMKWRBBRSZ-RUMRUAAYSA-N 2 2 378.564 3.641 20 0 GHADLP C[C@@H]1C[C@@H](N2CC[NH+](Cc3ccncc3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168050940 863525389 /nfs/dbraw/zinc/52/53/89/863525389.db2.gz DNUCCMKWRBBRSZ-RUMRUAAYSA-N 2 2 378.564 3.641 20 0 GHADLP CC(C)(C)OCCCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000475057394 863559959 /nfs/dbraw/zinc/55/99/59/863559959.db2.gz XKEWXNCPPPFUCD-NRFANRHFSA-N 2 2 388.600 3.511 20 0 GHADLP CC(C)(C)OCCCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000475057394 863559968 /nfs/dbraw/zinc/55/99/68/863559968.db2.gz XKEWXNCPPPFUCD-NRFANRHFSA-N 2 2 388.600 3.511 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1)c1ccccc1 ZINC000606376209 863570027 /nfs/dbraw/zinc/57/00/27/863570027.db2.gz LRAXILOJEONGIE-YDHSSHFGSA-N 2 2 395.547 3.927 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1)c1ccccc1 ZINC000606376209 863570036 /nfs/dbraw/zinc/57/00/36/863570036.db2.gz LRAXILOJEONGIE-YDHSSHFGSA-N 2 2 395.547 3.927 20 0 GHADLP Cc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000158616884 863890092 /nfs/dbraw/zinc/89/00/92/863890092.db2.gz CWYQMHDLWZGBOS-VQTJNVASSA-N 2 2 392.613 3.535 20 0 GHADLP Cc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000158616884 863890101 /nfs/dbraw/zinc/89/01/01/863890101.db2.gz CWYQMHDLWZGBOS-VQTJNVASSA-N 2 2 392.613 3.535 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N(Cc3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000158702208 863922009 /nfs/dbraw/zinc/92/20/09/863922009.db2.gz VMUBVDYJFHWROC-GGAORHGYSA-N 2 2 377.532 3.636 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N(Cc3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000158702208 863922016 /nfs/dbraw/zinc/92/20/16/863922016.db2.gz VMUBVDYJFHWROC-GGAORHGYSA-N 2 2 377.532 3.636 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N(Cc3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000158702208 863922025 /nfs/dbraw/zinc/92/20/25/863922025.db2.gz VMUBVDYJFHWROC-GGAORHGYSA-N 2 2 377.532 3.636 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N(Cc3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000158702208 863922034 /nfs/dbraw/zinc/92/20/34/863922034.db2.gz VMUBVDYJFHWROC-GGAORHGYSA-N 2 2 377.532 3.636 20 0 GHADLP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N3CC[NH+](Cc4ccsc4)CC3)c2)C1 ZINC000856746044 881711765 /nfs/dbraw/zinc/71/17/65/881711765.db2.gz HEMUEULYYQTQAU-OAQYLSRUSA-N 2 2 383.561 3.515 20 0 GHADLP C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3CC[NH+](Cc4ccsc4)CC3)c2)C1 ZINC000856746044 881711772 /nfs/dbraw/zinc/71/17/72/881711772.db2.gz HEMUEULYYQTQAU-OAQYLSRUSA-N 2 2 383.561 3.515 20 0 GHADLP Fc1cccc(F)c1-c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)o1 ZINC000734508780 864267627 /nfs/dbraw/zinc/26/76/27/864267627.db2.gz CYISLNIHLOWTIQ-KRWDZBQOSA-N 2 2 376.447 3.958 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000607366803 864351213 /nfs/dbraw/zinc/35/12/13/864351213.db2.gz VQJPVTPKGAVUDF-HXUWFJFHSA-N 2 2 396.865 3.668 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366803 864351225 /nfs/dbraw/zinc/35/12/25/864351225.db2.gz VQJPVTPKGAVUDF-HXUWFJFHSA-N 2 2 396.865 3.668 20 0 GHADLP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccccn1 ZINC000159219194 864424950 /nfs/dbraw/zinc/42/49/50/864424950.db2.gz SEFLGKMXEBVYOO-OAHLLOKOSA-N 2 2 378.442 3.703 20 0 GHADLP O=C(C[N@@H+]1CCCCC[C@@H]1c1ccco1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000523008952 864438120 /nfs/dbraw/zinc/43/81/20/864438120.db2.gz HCGTVSKBNHKOKB-OAQYLSRUSA-N 2 2 381.520 3.541 20 0 GHADLP O=C(C[N@H+]1CCCCC[C@@H]1c1ccco1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000523008952 864438125 /nfs/dbraw/zinc/43/81/25/864438125.db2.gz HCGTVSKBNHKOKB-OAQYLSRUSA-N 2 2 381.520 3.541 20 0 GHADLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cnn(C2CCCC2)c1 ZINC000554561276 864552276 /nfs/dbraw/zinc/55/22/76/864552276.db2.gz XCGDEJODOPCJQY-XXBNENTESA-N 2 2 381.568 3.638 20 0 GHADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc2c(c1)OCCO2 ZINC000163706804 864555093 /nfs/dbraw/zinc/55/50/93/864555093.db2.gz GIVRQSVAKUSDAW-NRFANRHFSA-N 2 2 382.504 3.531 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@H]1c1cccs1 ZINC000554580927 864593392 /nfs/dbraw/zinc/59/33/92/864593392.db2.gz SVVOOIHWDLLKQK-FPOVZHCZSA-N 2 2 394.544 3.806 20 0 GHADLP C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@H]1c1cccs1 ZINC000554580927 864593394 /nfs/dbraw/zinc/59/33/94/864593394.db2.gz SVVOOIHWDLLKQK-FPOVZHCZSA-N 2 2 394.544 3.806 20 0 GHADLP C[C@@]1(C[NH2+]Cc2ccccc2N2CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000494487357 881783337 /nfs/dbraw/zinc/78/33/37/881783337.db2.gz QPDKGWHGQNTZIH-DEOSSOPVSA-N 2 2 379.548 3.668 20 0 GHADLP C[C@@]1(C[NH2+]Cc2ccccc2N2CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000494487357 881783347 /nfs/dbraw/zinc/78/33/47/881783347.db2.gz QPDKGWHGQNTZIH-DEOSSOPVSA-N 2 2 379.548 3.668 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1C ZINC000622089671 864762946 /nfs/dbraw/zinc/76/29/46/864762946.db2.gz USHHWBCRIZVAGM-FQEVSTJZSA-N 2 2 390.572 3.605 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3F)s2)C1 ZINC000554820633 864955377 /nfs/dbraw/zinc/95/53/77/864955377.db2.gz SPRYUCFBVSGKHS-HOTGVXAUSA-N 2 2 392.544 3.838 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccccc3F)s2)C1 ZINC000554820633 864955390 /nfs/dbraw/zinc/95/53/90/864955390.db2.gz SPRYUCFBVSGKHS-HOTGVXAUSA-N 2 2 392.544 3.838 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000608206061 865097879 /nfs/dbraw/zinc/09/78/79/865097879.db2.gz QJHGTTAZUYFISR-IBGZPJMESA-N 2 2 380.492 3.569 20 0 GHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(Br)ccc1Br ZINC000480704848 865118396 /nfs/dbraw/zinc/11/83/96/865118396.db2.gz GRSQALNFNDQGNR-HZMBPMFUSA-N 2 2 376.136 3.641 20 0 GHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(Br)ccc1Br ZINC000480704848 865118401 /nfs/dbraw/zinc/11/84/01/865118401.db2.gz GRSQALNFNDQGNR-HZMBPMFUSA-N 2 2 376.136 3.641 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000667735355 865140156 /nfs/dbraw/zinc/14/01/56/865140156.db2.gz RCQNVDQTOFYWFK-HKUYNNGSSA-N 2 2 392.425 3.520 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000667735355 865140160 /nfs/dbraw/zinc/14/01/60/865140160.db2.gz RCQNVDQTOFYWFK-HKUYNNGSSA-N 2 2 392.425 3.520 20 0 GHADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1nc(C[NH+]2CCC[C@H](C)C2)cs1 ZINC000554920314 865143467 /nfs/dbraw/zinc/14/34/67/865143467.db2.gz STQKFGRFPQGJME-JKSUJKDBSA-N 2 2 381.590 3.617 20 0 GHADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1nc(C[NH+]2CCC[C@H](C)C2)cs1 ZINC000554920314 865143472 /nfs/dbraw/zinc/14/34/72/865143472.db2.gz STQKFGRFPQGJME-JKSUJKDBSA-N 2 2 381.590 3.617 20 0 GHADLP CCCC[NH+](C)C[C@@H](C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000554920314 865143476 /nfs/dbraw/zinc/14/34/76/865143476.db2.gz STQKFGRFPQGJME-JKSUJKDBSA-N 2 2 381.590 3.617 20 0 GHADLP CCCC[NH+](C)C[C@@H](C)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000554920314 865143485 /nfs/dbraw/zinc/14/34/85/865143485.db2.gz STQKFGRFPQGJME-JKSUJKDBSA-N 2 2 381.590 3.617 20 0 GHADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1cccc(N2CCOCC2)c1 ZINC000480752556 865200341 /nfs/dbraw/zinc/20/03/41/865200341.db2.gz ZIZXUWUWDUEBIQ-IBGZPJMESA-N 2 2 389.609 3.535 20 0 GHADLP CN(c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)[C@H]1CCC[N@H+](C)C1 ZINC000301330619 865289609 /nfs/dbraw/zinc/28/96/09/865289609.db2.gz DNSOCQCGYXDHOQ-KRWDZBQOSA-N 2 2 395.576 3.950 20 0 GHADLP CN(c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)[C@H]1CCC[N@@H+](C)C1 ZINC000301330619 865289624 /nfs/dbraw/zinc/28/96/24/865289624.db2.gz DNSOCQCGYXDHOQ-KRWDZBQOSA-N 2 2 395.576 3.950 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1nnnn1C1CCCCC1 ZINC000189482402 881880278 /nfs/dbraw/zinc/88/02/78/881880278.db2.gz FEIHZZDCPYMJQT-SFHVURJKSA-N 2 2 397.571 3.873 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1nnnn1C1CCCCC1 ZINC000189482402 881880298 /nfs/dbraw/zinc/88/02/98/881880298.db2.gz FEIHZZDCPYMJQT-SFHVURJKSA-N 2 2 397.571 3.873 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301800782 865542167 /nfs/dbraw/zinc/54/21/67/865542167.db2.gz VURIPPPJYRMHST-KKSFZXQISA-N 2 2 379.504 3.865 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301800782 865542173 /nfs/dbraw/zinc/54/21/73/865542173.db2.gz VURIPPPJYRMHST-KKSFZXQISA-N 2 2 379.504 3.865 20 0 GHADLP Cc1c(Cl)ccc2ccc(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)nc21 ZINC000302047076 865684447 /nfs/dbraw/zinc/68/44/47/865684447.db2.gz YOKUGIFUOQBVPJ-DFNIBXOVSA-N 2 2 384.955 3.944 20 0 GHADLP Cc1c(Cl)ccc2ccc(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)nc21 ZINC000302047076 865684451 /nfs/dbraw/zinc/68/44/51/865684451.db2.gz YOKUGIFUOQBVPJ-DFNIBXOVSA-N 2 2 384.955 3.944 20 0 GHADLP Fc1ccc(Br)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173957513 865860541 /nfs/dbraw/zinc/86/05/41/865860541.db2.gz LFMWFKGNBFFNKR-UHFFFAOYSA-N 2 2 385.321 3.665 20 0 GHADLP CSc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481197017 865989160 /nfs/dbraw/zinc/98/91/60/865989160.db2.gz ZPDIKBPWBAVNIF-UWJYYQICSA-N 2 2 383.561 3.847 20 0 GHADLP CSc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481197017 865989167 /nfs/dbraw/zinc/98/91/67/865989167.db2.gz ZPDIKBPWBAVNIF-UWJYYQICSA-N 2 2 383.561 3.847 20 0 GHADLP Clc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000623123598 866033554 /nfs/dbraw/zinc/03/35/54/866033554.db2.gz JEYUADXIPHCXPL-FQEVSTJZSA-N 2 2 398.982 3.812 20 0 GHADLP Clc1ccccc1CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000623123598 866033570 /nfs/dbraw/zinc/03/35/70/866033570.db2.gz JEYUADXIPHCXPL-FQEVSTJZSA-N 2 2 398.982 3.812 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456342723 866455486 /nfs/dbraw/zinc/45/54/86/866455486.db2.gz ZEQTUWCOLHBMQO-IBGZPJMESA-N 2 2 384.430 3.811 20 0 GHADLP CC(C)[C@H](CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000552970185 866543227 /nfs/dbraw/zinc/54/32/27/866543227.db2.gz NCMRXCCAKNXGOO-RTWAWAEBSA-N 2 2 382.552 3.804 20 0 GHADLP CN(C(=O)Cc1ccc2c(c1)CCC2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359963 866643768 /nfs/dbraw/zinc/64/37/68/866643768.db2.gz KRWMPRDDSNSBEP-BJKOFHAPSA-N 2 2 397.607 3.513 20 0 GHADLP CN(C(=O)Cc1ccc2c(c1)CCC2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359963 866643777 /nfs/dbraw/zinc/64/37/77/866643777.db2.gz KRWMPRDDSNSBEP-BJKOFHAPSA-N 2 2 397.607 3.513 20 0 GHADLP Cc1cccc(CCC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534360651 866647278 /nfs/dbraw/zinc/64/72/78/866647278.db2.gz OSKHOKZVVBXEPD-PKTZIBPZSA-N 2 2 385.596 3.723 20 0 GHADLP Cc1cccc(CCC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534360651 866647281 /nfs/dbraw/zinc/64/72/81/866647281.db2.gz OSKHOKZVVBXEPD-PKTZIBPZSA-N 2 2 385.596 3.723 20 0 GHADLP CCCCOC(=O)[C@H](C)[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000741796072 866802914 /nfs/dbraw/zinc/80/29/14/866802914.db2.gz RPQZONRNDAJRJN-SFHVURJKSA-N 2 2 390.572 3.931 20 0 GHADLP CCCCOC(=O)[C@H](C)[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000741796072 866802931 /nfs/dbraw/zinc/80/29/31/866802931.db2.gz RPQZONRNDAJRJN-SFHVURJKSA-N 2 2 390.572 3.931 20 0 GHADLP CC[C@@H]([NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000553231367 867014968 /nfs/dbraw/zinc/01/49/68/867014968.db2.gz GUPGQDSUPPHIPX-VQIMIIECSA-N 2 2 386.927 3.513 20 0 GHADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534599350 867110012 /nfs/dbraw/zinc/11/00/12/867110012.db2.gz ALNMDVXOZVKIJD-MSOLQXFVSA-N 2 2 393.535 3.844 20 0 GHADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534599350 867110024 /nfs/dbraw/zinc/11/00/24/867110024.db2.gz ALNMDVXOZVKIJD-MSOLQXFVSA-N 2 2 393.535 3.844 20 0 GHADLP Cc1cc(Cl)c(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000153978894 867187810 /nfs/dbraw/zinc/18/78/10/867187810.db2.gz RXKOKENCPSUVMX-UHFFFAOYSA-N 2 2 387.355 3.792 20 0 GHADLP Cc1cc(Cl)c(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000153978894 867187825 /nfs/dbraw/zinc/18/78/25/867187825.db2.gz RXKOKENCPSUVMX-UHFFFAOYSA-N 2 2 387.355 3.792 20 0 GHADLP CCn1c(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)nc2ccccc21 ZINC000742392813 867257200 /nfs/dbraw/zinc/25/72/00/867257200.db2.gz SKMFYSNCXLEYPQ-UHFFFAOYSA-N 2 2 397.954 3.751 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553555785 867651591 /nfs/dbraw/zinc/65/15/91/867651591.db2.gz PHQISUYJVLMYEM-COPCDDAFSA-N 2 2 388.515 3.568 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553555785 867651598 /nfs/dbraw/zinc/65/15/98/867651598.db2.gz PHQISUYJVLMYEM-COPCDDAFSA-N 2 2 388.515 3.568 20 0 GHADLP CN(C(=O)Nc1cccc(F)c1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534942785 867803103 /nfs/dbraw/zinc/80/31/03/867803103.db2.gz MRHACWMOMFREMS-RTBURBONSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1cccc(F)c1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534942785 867803117 /nfs/dbraw/zinc/80/31/17/867803117.db2.gz MRHACWMOMFREMS-RTBURBONSA-N 2 2 394.510 3.766 20 0 GHADLP c1ccc(C[N@@H+]2CCC3(C2)CCN(c2cc(N4CCCCC4)[nH+]cn2)CC3)cc1 ZINC000534979512 867866647 /nfs/dbraw/zinc/86/66/47/867866647.db2.gz GTQGCBNDKJXBLY-UHFFFAOYSA-N 2 2 391.563 3.959 20 0 GHADLP c1ccc(C[N@H+]2CCC3(C2)CCN(c2cc(N4CCCCC4)[nH+]cn2)CC3)cc1 ZINC000534979512 867866660 /nfs/dbraw/zinc/86/66/60/867866660.db2.gz GTQGCBNDKJXBLY-UHFFFAOYSA-N 2 2 391.563 3.959 20 0 GHADLP c1ccc(C[N@@H+]2CCC3(C2)CCN(c2cc(N4CCCCC4)nc[nH+]2)CC3)cc1 ZINC000534979512 867866675 /nfs/dbraw/zinc/86/66/75/867866675.db2.gz GTQGCBNDKJXBLY-UHFFFAOYSA-N 2 2 391.563 3.959 20 0 GHADLP c1ccc(C[N@H+]2CCC3(C2)CCN(c2cc(N4CCCCC4)nc[nH+]2)CC3)cc1 ZINC000534979512 867866685 /nfs/dbraw/zinc/86/66/85/867866685.db2.gz GTQGCBNDKJXBLY-UHFFFAOYSA-N 2 2 391.563 3.959 20 0 GHADLP CCOc1c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(C)nn1CC(C)C ZINC000553716651 867996301 /nfs/dbraw/zinc/99/63/01/867996301.db2.gz CUPHOPUODCJKEI-UHFFFAOYSA-N 2 2 381.524 3.781 20 0 GHADLP C[C@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@@H+]1CCCC[C@@H]1C ZINC000535328427 868557993 /nfs/dbraw/zinc/55/79/93/868557993.db2.gz XMXLCUVRKCIBMJ-ZWKOTPCHSA-N 2 2 393.535 3.986 20 0 GHADLP C[C@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@H+]1CCCC[C@@H]1C ZINC000535328427 868558000 /nfs/dbraw/zinc/55/80/00/868558000.db2.gz XMXLCUVRKCIBMJ-ZWKOTPCHSA-N 2 2 393.535 3.986 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000157144740 868571717 /nfs/dbraw/zinc/57/17/17/868571717.db2.gz XMHCTEDFKSAASX-UHFFFAOYSA-N 2 2 398.378 3.601 20 0 GHADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157160676 868575759 /nfs/dbraw/zinc/57/57/59/868575759.db2.gz SRPLZPOTDYZJAF-PXNSSMCTSA-N 2 2 377.960 3.810 20 0 GHADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157160676 868575765 /nfs/dbraw/zinc/57/57/65/868575765.db2.gz SRPLZPOTDYZJAF-PXNSSMCTSA-N 2 2 377.960 3.810 20 0 GHADLP COc1cccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[NH+](C)C)c1 ZINC000479864477 868660791 /nfs/dbraw/zinc/66/07/91/868660791.db2.gz ULABXXWRZPTUPK-FOVJLYNBSA-N 2 2 381.564 3.798 20 0 GHADLP COc1cccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[NH+](C)C)c1 ZINC000479864477 868660794 /nfs/dbraw/zinc/66/07/94/868660794.db2.gz ULABXXWRZPTUPK-FOVJLYNBSA-N 2 2 381.564 3.798 20 0 GHADLP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N(C)C)c1 ZINC000479864477 868660799 /nfs/dbraw/zinc/66/07/99/868660799.db2.gz ULABXXWRZPTUPK-FOVJLYNBSA-N 2 2 381.564 3.798 20 0 GHADLP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N(C)C)c1 ZINC000479864477 868660802 /nfs/dbraw/zinc/66/08/02/868660802.db2.gz ULABXXWRZPTUPK-FOVJLYNBSA-N 2 2 381.564 3.798 20 0 GHADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cnc(-c3ccc(C)cc3)s2)CC1 ZINC000475632373 868811915 /nfs/dbraw/zinc/81/19/15/868811915.db2.gz RKHMYJGITXGFAB-UHFFFAOYSA-N 2 2 380.517 3.844 20 0 GHADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535575205 869026503 /nfs/dbraw/zinc/02/65/03/869026503.db2.gz NSUHTSSIAIRCAN-UHFFFAOYSA-N 2 2 380.536 3.785 20 0 GHADLP CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428424988 869201416 /nfs/dbraw/zinc/20/14/16/869201416.db2.gz VHICBIHEAMOJQI-FUHWJXTLSA-N 2 2 378.586 3.872 20 0 GHADLP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cnn1C(C)(C)C ZINC000191146898 882366576 /nfs/dbraw/zinc/36/65/76/882366576.db2.gz MYEVVHMLPBBBEM-IBGZPJMESA-N 2 2 383.584 3.809 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000248013527 870261570 /nfs/dbraw/zinc/26/15/70/870261570.db2.gz LOFYESAZUZCECH-DHSIGJKJSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000248013527 870261586 /nfs/dbraw/zinc/26/15/86/870261586.db2.gz LOFYESAZUZCECH-DHSIGJKJSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000248013527 870261603 /nfs/dbraw/zinc/26/16/03/870261603.db2.gz LOFYESAZUZCECH-DHSIGJKJSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000248013527 870261607 /nfs/dbraw/zinc/26/16/07/870261607.db2.gz LOFYESAZUZCECH-DHSIGJKJSA-N 2 2 384.351 3.587 20 0 GHADLP O[C@@H](C1CC[NH+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1)C(F)(F)F ZINC001192434832 870364727 /nfs/dbraw/zinc/36/47/27/870364727.db2.gz HZQPKPJOMMHHJX-NRFANRHFSA-N 2 2 398.513 3.966 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-n3cncn3)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000538732331 870464859 /nfs/dbraw/zinc/46/48/59/870464859.db2.gz CPRLEMGOAZCLND-RXVVDRJESA-N 2 2 393.510 3.891 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-n3cncn3)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000538732331 870465055 /nfs/dbraw/zinc/46/50/55/870465055.db2.gz CPRLEMGOAZCLND-RXVVDRJESA-N 2 2 393.510 3.891 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3cncn3)c(F)c2)CC[NH+]1Cc1ccccc1 ZINC000538732331 870465117 /nfs/dbraw/zinc/46/51/17/870465117.db2.gz CPRLEMGOAZCLND-RXVVDRJESA-N 2 2 393.510 3.891 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3cncn3)c(F)c2)CC[NH+]1Cc1ccccc1 ZINC000538732331 870465135 /nfs/dbraw/zinc/46/51/35/870465135.db2.gz CPRLEMGOAZCLND-RXVVDRJESA-N 2 2 393.510 3.891 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540143850 870595684 /nfs/dbraw/zinc/59/56/84/870595684.db2.gz LADSBGALTFKESK-UPNLOYSTSA-N 2 2 396.441 3.773 20 0 GHADLP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000463065532 870815327 /nfs/dbraw/zinc/81/53/27/870815327.db2.gz SFFQCVUOFXQHBW-WMQCIHAUSA-N 2 2 383.540 3.531 20 0 GHADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000463065532 870815336 /nfs/dbraw/zinc/81/53/36/870815336.db2.gz SFFQCVUOFXQHBW-WMQCIHAUSA-N 2 2 383.540 3.531 20 0 GHADLP O=C1[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCN1c1ccccc1 ZINC000463132314 870976427 /nfs/dbraw/zinc/97/64/27/870976427.db2.gz ANJZMHCUKBJCOD-HSZRJFAPSA-N 2 2 395.522 3.618 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccccc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000463132961 870979616 /nfs/dbraw/zinc/97/96/16/870979616.db2.gz TVMGJMBXLYVQNZ-LSWJPFSZSA-N 2 2 377.532 3.825 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccccc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000463132961 870979623 /nfs/dbraw/zinc/97/96/23/870979623.db2.gz TVMGJMBXLYVQNZ-LSWJPFSZSA-N 2 2 377.532 3.825 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CN2CCOCC2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463148010 871016155 /nfs/dbraw/zinc/01/61/55/871016155.db2.gz WKQPGSACYUAGSY-ZODMCCGTSA-N 2 2 393.575 3.703 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CN2CCOCC2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463148010 871016173 /nfs/dbraw/zinc/01/61/73/871016173.db2.gz WKQPGSACYUAGSY-ZODMCCGTSA-N 2 2 393.575 3.703 20 0 GHADLP COc1ccc(CN2CC[C@H]([N@H+](C3CCCC3)C3CC[NH+](C)CC3)CC2=O)cc1 ZINC001168959213 871059450 /nfs/dbraw/zinc/05/94/50/871059450.db2.gz USSONLPESBMRJD-QFIPXVFZSA-N 2 2 399.579 3.525 20 0 GHADLP COc1ccc(CN2CC[C@H]([N@@H+](C3CCCC3)C3CC[NH+](C)CC3)CC2=O)cc1 ZINC001168959213 871059468 /nfs/dbraw/zinc/05/94/68/871059468.db2.gz USSONLPESBMRJD-QFIPXVFZSA-N 2 2 399.579 3.525 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000463213681 871157719 /nfs/dbraw/zinc/15/77/19/871157719.db2.gz YLDCYVCPVONTDI-VGCGRUFVSA-N 2 2 399.623 3.850 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000463213681 871157723 /nfs/dbraw/zinc/15/77/23/871157723.db2.gz YLDCYVCPVONTDI-VGCGRUFVSA-N 2 2 399.623 3.850 20 0 GHADLP C[C@H]1C[C@@H]([NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463260312 871278984 /nfs/dbraw/zinc/27/89/84/871278984.db2.gz CEPIBEWWYCPMAJ-ORYQWCPZSA-N 2 2 385.939 3.899 20 0 GHADLP C[C@H]1C[C@@H]([NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000463260312 871278996 /nfs/dbraw/zinc/27/89/96/871278996.db2.gz CEPIBEWWYCPMAJ-ORYQWCPZSA-N 2 2 385.939 3.899 20 0 GHADLP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1c[nH+]c2c(Br)cccn12 ZINC001169180011 871304774 /nfs/dbraw/zinc/30/47/74/871304774.db2.gz WTRYLKUXSQMXEB-UHFFFAOYSA-N 2 2 399.292 3.859 20 0 GHADLP Cc1c2[nH+]c[nH]c2ccc1N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169522501 871598933 /nfs/dbraw/zinc/59/89/33/871598933.db2.gz VKZIATLNDIQRRU-XLIONFOSSA-N 2 2 378.476 3.742 20 0 GHADLP CC1(C)[C@H]([NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)[C@@H]2CCCO[C@@H]21 ZINC001194446167 871726199 /nfs/dbraw/zinc/72/61/99/871726199.db2.gz NQQUFPNQRNOXTK-HBMCJLEFSA-N 2 2 391.987 3.645 20 0 GHADLP CCC[N@H+](Cc1ncc(COC)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000539383478 871873742 /nfs/dbraw/zinc/87/37/42/871873742.db2.gz AOQSLVOUSMNYDI-UHFFFAOYSA-N 2 2 389.569 3.577 20 0 GHADLP CCC[N@@H+](Cc1ncc(COC)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000539383478 871873762 /nfs/dbraw/zinc/87/37/62/871873762.db2.gz AOQSLVOUSMNYDI-UHFFFAOYSA-N 2 2 389.569 3.577 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1cccc(Br)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540917333 872499908 /nfs/dbraw/zinc/49/99/08/872499908.db2.gz IDRBNGBZKMUVFT-CQSZACIVSA-N 2 2 399.292 3.924 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448023015 872679101 /nfs/dbraw/zinc/67/91/01/872679101.db2.gz REBLIZPPKOTPQX-RDTXWAMCSA-N 2 2 381.948 3.776 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448023015 872679106 /nfs/dbraw/zinc/67/91/06/872679106.db2.gz REBLIZPPKOTPQX-RDTXWAMCSA-N 2 2 381.948 3.776 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)C2 ZINC000527221562 872834299 /nfs/dbraw/zinc/83/42/99/872834299.db2.gz ZGWDGARHMUSRPY-SFHVURJKSA-N 2 2 394.563 3.940 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)CC2 ZINC000527221562 872834304 /nfs/dbraw/zinc/83/43/04/872834304.db2.gz ZGWDGARHMUSRPY-SFHVURJKSA-N 2 2 394.563 3.940 20 0 GHADLP Brc1sccc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000527632671 873382634 /nfs/dbraw/zinc/38/26/34/873382634.db2.gz UCLFHIIFNJWZKG-UHFFFAOYSA-N 2 2 381.339 3.633 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCC[NH+]3Cc3ccccc3)sc2C1 ZINC000541460951 873605385 /nfs/dbraw/zinc/60/53/85/873605385.db2.gz ANQXGWCIKTZKSL-SFHVURJKSA-N 2 2 384.549 3.513 20 0 GHADLP CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3CCC[NH+]3Cc3ccccc3)sc2C1 ZINC000541460951 873605386 /nfs/dbraw/zinc/60/53/86/873605386.db2.gz ANQXGWCIKTZKSL-SFHVURJKSA-N 2 2 384.549 3.513 20 0 GHADLP CC(C)[NH+]1CCc2nc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)sc2C1 ZINC000541460951 873605391 /nfs/dbraw/zinc/60/53/91/873605391.db2.gz ANQXGWCIKTZKSL-SFHVURJKSA-N 2 2 384.549 3.513 20 0 GHADLP CC(C)[NH+]1CCc2nc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)sc2C1 ZINC000541460951 873605394 /nfs/dbraw/zinc/60/53/94/873605394.db2.gz ANQXGWCIKTZKSL-SFHVURJKSA-N 2 2 384.549 3.513 20 0 GHADLP c1ccc(N2CC[NH+](C[C@H]3CCCN(c4[nH+]ccc5ccccc54)C3)CC2)nc1 ZINC000527868071 873696164 /nfs/dbraw/zinc/69/61/64/873696164.db2.gz KPAMQJOPFQWDCV-HXUWFJFHSA-N 2 2 387.531 3.668 20 0 GHADLP C[C@@H](NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1)c1cc(F)cc(F)c1 ZINC001198037365 874192649 /nfs/dbraw/zinc/19/26/49/874192649.db2.gz XXTACZKIRNGXNK-MRXNPFEDSA-N 2 2 389.490 3.839 20 0 GHADLP C[C@@H](NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1)c1cc(F)cc(F)c1 ZINC001198037365 874192654 /nfs/dbraw/zinc/19/26/54/874192654.db2.gz XXTACZKIRNGXNK-MRXNPFEDSA-N 2 2 389.490 3.839 20 0 GHADLP C[C@@H]1CCc2sc(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)cc2C1 ZINC000460487243 882821550 /nfs/dbraw/zinc/82/15/50/882821550.db2.gz LDTSLGCEYKUJRP-QGZVFWFLSA-N 2 2 389.609 3.553 20 0 GHADLP Fc1ccc(C(F)(F)F)c(Br)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000858086149 882831532 /nfs/dbraw/zinc/83/15/32/882831532.db2.gz BZJGVBQZNFSKHF-UHFFFAOYSA-N 2 2 380.183 3.983 20 0 GHADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000449092266 874491371 /nfs/dbraw/zinc/49/13/71/874491371.db2.gz TUGLVLVALSATQF-SFHVURJKSA-N 2 2 376.422 3.713 20 0 GHADLP COc1cccc(Sc2ccccc2C[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000449094932 874497034 /nfs/dbraw/zinc/49/70/34/874497034.db2.gz VBBOKIYCQFQZPB-UHFFFAOYSA-N 2 2 386.561 3.783 20 0 GHADLP CC[N@@H+](CC(=O)Nc1cccc(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804272 874518186 /nfs/dbraw/zinc/51/81/86/874518186.db2.gz DVJIAQUZNXXWKT-UHFFFAOYSA-N 2 2 386.927 3.912 20 0 GHADLP CC[N@H+](CC(=O)Nc1cccc(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804272 874518200 /nfs/dbraw/zinc/51/82/00/874518200.db2.gz DVJIAQUZNXXWKT-UHFFFAOYSA-N 2 2 386.927 3.912 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2Br)[C@@H](C)C1 ZINC000449138424 874526078 /nfs/dbraw/zinc/52/60/78/874526078.db2.gz HXVHQLFETQEYGA-WMLDXEAASA-N 2 2 387.337 3.815 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2Br)[C@@H](C)C1 ZINC000449138424 874526086 /nfs/dbraw/zinc/52/60/86/874526086.db2.gz HXVHQLFETQEYGA-WMLDXEAASA-N 2 2 387.337 3.815 20 0 GHADLP CC[N@H+](C[C@H](O)COc1cc(C)ccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810467 874534905 /nfs/dbraw/zinc/53/49/05/874534905.db2.gz PLUURSLTNMKYCS-QFIPXVFZSA-N 2 2 397.563 3.677 20 0 GHADLP CC[N@@H+](C[C@H](O)COc1cc(C)ccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810467 874534917 /nfs/dbraw/zinc/53/49/17/874534917.db2.gz PLUURSLTNMKYCS-QFIPXVFZSA-N 2 2 397.563 3.677 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cn(C)nc1Br ZINC000858099022 882842935 /nfs/dbraw/zinc/84/29/35/882842935.db2.gz STMMWQJPHAJUGH-OAHLLOKOSA-N 2 2 391.357 3.847 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cn(C)nc1Br ZINC000858099022 882842953 /nfs/dbraw/zinc/84/29/53/882842953.db2.gz STMMWQJPHAJUGH-OAHLLOKOSA-N 2 2 391.357 3.847 20 0 GHADLP C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841541 874615673 /nfs/dbraw/zinc/61/56/73/874615673.db2.gz YJEIQKQVYVOFAQ-VABKMULXSA-N 2 2 383.580 3.622 20 0 GHADLP C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841541 874615676 /nfs/dbraw/zinc/61/56/76/874615676.db2.gz YJEIQKQVYVOFAQ-VABKMULXSA-N 2 2 383.580 3.622 20 0 GHADLP C[NH+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841541 874615681 /nfs/dbraw/zinc/61/56/81/874615681.db2.gz YJEIQKQVYVOFAQ-VABKMULXSA-N 2 2 383.580 3.622 20 0 GHADLP C[NH+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841541 874615691 /nfs/dbraw/zinc/61/56/91/874615691.db2.gz YJEIQKQVYVOFAQ-VABKMULXSA-N 2 2 383.580 3.622 20 0 GHADLP COCO[C@H](C)c1cc(F)c(C[NH2+][C@@H](C)CC[NH+](C)C)cc1Br ZINC000858116152 882857942 /nfs/dbraw/zinc/85/79/42/882857942.db2.gz PLLNTELNYTYKGU-QWHCGFSZSA-N 2 2 391.325 3.700 20 0 GHADLP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC000770645219 874787559 /nfs/dbraw/zinc/78/75/59/874787559.db2.gz SBJLBDOBBJMZSI-UHFFFAOYSA-N 2 2 384.483 3.993 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@@H]3c3ccc(Cl)cc3)cn2)CC1 ZINC000449570197 875062098 /nfs/dbraw/zinc/06/20/98/875062098.db2.gz JIRVBPOFIREBBM-HXUWFJFHSA-N 2 2 385.943 3.609 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@@H]3c3ccc(Cl)cc3)cn2)CC1 ZINC000449570197 875062103 /nfs/dbraw/zinc/06/21/03/875062103.db2.gz JIRVBPOFIREBBM-HXUWFJFHSA-N 2 2 385.943 3.609 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)ccc2[nH+]1 ZINC001199768329 875173107 /nfs/dbraw/zinc/17/31/07/875173107.db2.gz YNBQSQNYWOCDPS-APWZRJJASA-N 2 2 377.492 3.532 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)ccc2[nH+]1 ZINC001199768329 875173110 /nfs/dbraw/zinc/17/31/10/875173110.db2.gz YNBQSQNYWOCDPS-APWZRJJASA-N 2 2 377.492 3.532 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@]3(C)COc4ccccc4O3)CC2)cc1 ZINC000858208463 882941304 /nfs/dbraw/zinc/94/13/04/882941304.db2.gz DUTVYASVSSPVDZ-QHCPKHFHSA-N 2 2 381.520 3.541 20 0 GHADLP C[C@@H](O)C[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccc1 ZINC000121570076 875610039 /nfs/dbraw/zinc/61/00/39/875610039.db2.gz PACFWPFWTQIOMD-CTNGQTDRSA-N 2 2 381.564 3.866 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2cccc(Cl)c2Cl)([NH+]2CCCCC2)CC1 ZINC000172749580 875898537 /nfs/dbraw/zinc/89/85/37/875898537.db2.gz ZIPXKFXVHWSXDH-UHFFFAOYSA-N 2 2 384.351 3.674 20 0 GHADLP Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001202025670 875968070 /nfs/dbraw/zinc/96/80/70/875968070.db2.gz YZZFZVJCSJBANX-HXUWFJFHSA-N 2 2 399.922 3.617 20 0 GHADLP c1ccc(C[C@H]2CC[C@H]([NH2+]Cc3ccc(OCC[NH+]4CCOCC4)cc3)C2)cc1 ZINC001202056437 875982224 /nfs/dbraw/zinc/98/22/24/875982224.db2.gz ABVYHEVHYCCGCH-RPWUZVMVSA-N 2 2 394.559 3.899 20 0 GHADLP CC[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000841311003 876208807 /nfs/dbraw/zinc/20/88/07/876208807.db2.gz LFJAJPTXWFFTIM-UHFFFAOYSA-N 2 2 395.551 3.653 20 0 GHADLP Brc1ccc(-c2n[nH]cc2C[NH+]2CCC(n3cc[nH+]c3)CC2)s1 ZINC000529525408 876284796 /nfs/dbraw/zinc/28/47/96/876284796.db2.gz HSWSWCDERHQVAU-UHFFFAOYSA-N 2 2 392.326 3.934 20 0 GHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000529543429 876296124 /nfs/dbraw/zinc/29/61/24/876296124.db2.gz AJYBAMITVBYLAE-IAGOWNOFSA-N 2 2 384.467 3.740 20 0 GHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000529543429 876296133 /nfs/dbraw/zinc/29/61/33/876296133.db2.gz AJYBAMITVBYLAE-IAGOWNOFSA-N 2 2 384.467 3.740 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(F)c(F)c1 ZINC000173353654 876336270 /nfs/dbraw/zinc/33/62/70/876336270.db2.gz VKTJCLAUMMLLAF-INIZCTEOSA-N 2 2 376.447 3.527 20 0 GHADLP CSc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000173353583 876336717 /nfs/dbraw/zinc/33/67/17/876336717.db2.gz WIBUNHOWLFBBOL-SFHVURJKSA-N 2 2 386.561 3.970 20 0 GHADLP C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000776430173 876468342 /nfs/dbraw/zinc/46/83/42/876468342.db2.gz IWKXZZXEPHFYJG-BJMVGYQFSA-N 2 2 394.450 3.604 20 0 GHADLP c1coc(-c2ncc(C[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)s2)c1 ZINC000192995047 883065583 /nfs/dbraw/zinc/06/55/83/883065583.db2.gz LCINEBCCZLBHBJ-UHFFFAOYSA-N 2 2 382.533 3.705 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2cccc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000174227235 876911726 /nfs/dbraw/zinc/91/17/26/876911726.db2.gz LFYHHPICCHOHDO-UHFFFAOYSA-N 2 2 380.536 3.912 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2ccccc2C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000174236166 876917754 /nfs/dbraw/zinc/91/77/54/876917754.db2.gz FXNIGZQEQTVOGF-UHFFFAOYSA-N 2 2 398.473 3.777 20 0 GHADLP CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000134878312 883085926 /nfs/dbraw/zinc/08/59/26/883085926.db2.gz JYUVUPXAZZOEJI-AAIMPIBUSA-N 2 2 387.543 3.588 20 0 GHADLP CC(C)[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000134878312 883085939 /nfs/dbraw/zinc/08/59/39/883085939.db2.gz JYUVUPXAZZOEJI-AAIMPIBUSA-N 2 2 387.543 3.588 20 0 GHADLP CC(C)[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000134878312 883085955 /nfs/dbraw/zinc/08/59/55/883085955.db2.gz JYUVUPXAZZOEJI-AAIMPIBUSA-N 2 2 387.543 3.588 20 0 GHADLP CC(C)[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000134878312 883085971 /nfs/dbraw/zinc/08/59/71/883085971.db2.gz JYUVUPXAZZOEJI-AAIMPIBUSA-N 2 2 387.543 3.588 20 0 GHADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000174783934 877247575 /nfs/dbraw/zinc/24/75/75/877247575.db2.gz KTGWXPXIKOJRMW-LJQANCHMSA-N 2 2 395.950 3.680 20 0 GHADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000174783934 877247582 /nfs/dbraw/zinc/24/75/82/877247582.db2.gz KTGWXPXIKOJRMW-LJQANCHMSA-N 2 2 395.950 3.680 20 0 GHADLP Cc1ccnc(OC2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000551702223 877670799 /nfs/dbraw/zinc/67/07/99/877670799.db2.gz CJKSKWUCJCLGGG-HSZRJFAPSA-N 2 2 395.547 3.524 20 0 GHADLP Cc1ccnc(OC2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000551702223 877670807 /nfs/dbraw/zinc/67/08/07/877670807.db2.gz CJKSKWUCJCLGGG-HSZRJFAPSA-N 2 2 395.547 3.524 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1C ZINC000175646992 877820183 /nfs/dbraw/zinc/82/01/83/877820183.db2.gz WESBDXGHXXSYTH-GOSISDBHSA-N 2 2 398.551 3.759 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1C ZINC000175646992 877820207 /nfs/dbraw/zinc/82/02/07/877820207.db2.gz WESBDXGHXXSYTH-GOSISDBHSA-N 2 2 398.551 3.759 20 0 GHADLP COc1cc(OC)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(OC)c1 ZINC000245650437 878285142 /nfs/dbraw/zinc/28/51/42/878285142.db2.gz CJCXQQUKJLJGJX-ACDBMABISA-N 2 2 396.531 3.998 20 0 GHADLP COc1cc(OC)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(OC)c1 ZINC000245650437 878285159 /nfs/dbraw/zinc/28/51/59/878285159.db2.gz CJCXQQUKJLJGJX-ACDBMABISA-N 2 2 396.531 3.998 20 0 GHADLP Cc1ccc2nc(C3CC3)cc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000176828661 878429336 /nfs/dbraw/zinc/42/93/36/878429336.db2.gz MNKLXUVKZXIZTN-UHFFFAOYSA-N 2 2 394.563 3.519 20 0 GHADLP Cc1ccc2nc(C3CC3)cc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000176828661 878429345 /nfs/dbraw/zinc/42/93/45/878429345.db2.gz MNKLXUVKZXIZTN-UHFFFAOYSA-N 2 2 394.563 3.519 20 0 GHADLP Cn1cnc2cc(C[NH2+]CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000538120394 878845121 /nfs/dbraw/zinc/84/51/21/878845121.db2.gz DDKMMGWASOCIQT-UHFFFAOYSA-N 2 2 397.954 3.529 20 0 GHADLP Cc1cn2cc(NC(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)ccc2[nH+]1 ZINC000530979237 878868867 /nfs/dbraw/zinc/86/88/67/878868867.db2.gz BENJBRAWULJEFD-UHFFFAOYSA-N 2 2 377.492 3.771 20 0 GHADLP O=C(CC[NH2+][C@H](CC1CCC1)c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000538395885 879415672 /nfs/dbraw/zinc/41/56/72/879415672.db2.gz SEQLUCBITMMGDW-JOCHJYFZSA-N 2 2 392.547 3.641 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccc(N2CCCC2=O)cc1 ZINC000854222218 879640719 /nfs/dbraw/zinc/64/07/19/879640719.db2.gz DGMNEMHAUIPNJN-NPFVIJTESA-N 2 2 381.495 3.749 20 0 GHADLP O=C(OCc1ccccc1)N1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000790468974 879772337 /nfs/dbraw/zinc/77/23/37/879772337.db2.gz GVCSFFHLTNXCNT-UHFFFAOYSA-N 2 2 390.487 3.763 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cs2)cc1 ZINC000246979211 879870813 /nfs/dbraw/zinc/87/08/13/879870813.db2.gz OUXOKTVZFWASGR-IEBWSBKVSA-N 2 2 385.533 3.513 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cs2)cc1 ZINC000246979211 879870821 /nfs/dbraw/zinc/87/08/21/879870821.db2.gz OUXOKTVZFWASGR-IEBWSBKVSA-N 2 2 385.533 3.513 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cs2)cc1 ZINC000246979211 879870836 /nfs/dbraw/zinc/87/08/36/879870836.db2.gz OUXOKTVZFWASGR-IEBWSBKVSA-N 2 2 385.533 3.513 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cs2)cc1 ZINC000246979211 879870851 /nfs/dbraw/zinc/87/08/51/879870851.db2.gz OUXOKTVZFWASGR-IEBWSBKVSA-N 2 2 385.533 3.513 20 0 GHADLP C[C@H](c1cccc(O)c1)[NH+](C)CC1(C[N@@H+](C)[C@H](C)c2cccc(O)c2)COC1 ZINC000247040449 879896931 /nfs/dbraw/zinc/89/69/31/879896931.db2.gz VIWYQRRBEZSWLO-QZTJIDSGSA-N 2 2 384.520 3.800 20 0 GHADLP C[C@H](c1cccc(O)c1)[NH+](C)CC1(C[N@H+](C)[C@H](C)c2cccc(O)c2)COC1 ZINC000247040449 879896951 /nfs/dbraw/zinc/89/69/51/879896951.db2.gz VIWYQRRBEZSWLO-QZTJIDSGSA-N 2 2 384.520 3.800 20 0 GHADLP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247243653 879952254 /nfs/dbraw/zinc/95/22/54/879952254.db2.gz XUFKYPJGBICJIE-OFNKIYASSA-N 2 2 397.563 3.806 20 0 GHADLP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247243653 879952264 /nfs/dbraw/zinc/95/22/64/879952264.db2.gz XUFKYPJGBICJIE-OFNKIYASSA-N 2 2 397.563 3.806 20 0 GHADLP c1sc(-c2ccccn2)nc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182988846 880048341 /nfs/dbraw/zinc/04/83/41/880048341.db2.gz JOALQQOCOPMDBO-UHFFFAOYSA-N 2 2 386.565 3.530 20 0 GHADLP O=C(Cc1[nH]cc[nH+]1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000854900814 880130324 /nfs/dbraw/zinc/13/03/24/880130324.db2.gz YHECROWNXIIUNC-NRFANRHFSA-N 2 2 380.536 3.636 20 0 GHADLP CCc1cccnc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453325438 880796671 /nfs/dbraw/zinc/79/66/71/880796671.db2.gz MGFSYGFPJHTDGR-KRWDZBQOSA-N 2 2 380.536 3.918 20 0 GHADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000186878502 881011528 /nfs/dbraw/zinc/01/15/28/881011528.db2.gz GAOWMMKXKGLVQO-MBSDFSHPSA-N 2 2 375.520 3.829 20 0 GHADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000186878502 881011546 /nfs/dbraw/zinc/01/15/46/881011546.db2.gz GAOWMMKXKGLVQO-MBSDFSHPSA-N 2 2 375.520 3.829 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cn3cc(Cl)cc(Cl)c3n2)[C@H](C)C1 ZINC000187014385 881050677 /nfs/dbraw/zinc/05/06/77/881050677.db2.gz OBXGPEPKFHTHLC-KDOFPFPSSA-N 2 2 399.366 3.868 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn3cc(Cl)cc(Cl)c3n2)[C@H](C)C1 ZINC000187014385 881050695 /nfs/dbraw/zinc/05/06/95/881050695.db2.gz OBXGPEPKFHTHLC-KDOFPFPSSA-N 2 2 399.366 3.868 20 0 GHADLP Cc1cc(Br)c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000453587885 881102958 /nfs/dbraw/zinc/10/29/58/881102958.db2.gz LKVADXKGBSBFIW-UHFFFAOYSA-N 2 2 395.366 3.941 20 0 GHADLP CCOc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)c1OC(F)F ZINC000556950730 881194774 /nfs/dbraw/zinc/19/47/74/881194774.db2.gz OBZIVJLQELJPKE-JWTNVVGKSA-N 2 2 398.494 3.760 20 0 GHADLP CCOc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)c1OC(F)F ZINC000556950730 881194788 /nfs/dbraw/zinc/19/47/88/881194788.db2.gz OBZIVJLQELJPKE-JWTNVVGKSA-N 2 2 398.494 3.760 20 0 GHADLP CCOc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)c1OC(F)F ZINC000556950730 881194793 /nfs/dbraw/zinc/19/47/93/881194793.db2.gz OBZIVJLQELJPKE-JWTNVVGKSA-N 2 2 398.494 3.760 20 0 GHADLP CCOc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c1OC(F)F ZINC000556950730 881194804 /nfs/dbraw/zinc/19/48/04/881194804.db2.gz OBZIVJLQELJPKE-JWTNVVGKSA-N 2 2 398.494 3.760 20 0 GHADLP CC[C@@H]1C[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)CCO1 ZINC001170190017 881200194 /nfs/dbraw/zinc/20/01/94/881200194.db2.gz DFNACWBOFCVYEA-NNWRFLSQSA-N 2 2 392.503 3.675 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000136092975 883658521 /nfs/dbraw/zinc/65/85/21/883658521.db2.gz UMJAPJDXXPTKIB-DOMZBBRYSA-N 2 2 398.841 3.660 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000136092975 883658530 /nfs/dbraw/zinc/65/85/30/883658530.db2.gz UMJAPJDXXPTKIB-DOMZBBRYSA-N 2 2 398.841 3.660 20 0 GHADLP CC[C@@H]1CC([N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496722 884301993 /nfs/dbraw/zinc/30/19/93/884301993.db2.gz LCHCAVMDUFBETH-JRBPQWBISA-N 2 2 379.589 3.969 20 0 GHADLP CC[C@@H]1CC([N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496722 884302010 /nfs/dbraw/zinc/30/20/10/884302010.db2.gz LCHCAVMDUFBETH-JRBPQWBISA-N 2 2 379.589 3.969 20 0 GHADLP CC[C@@H]1CC([NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496722 884302022 /nfs/dbraw/zinc/30/20/22/884302022.db2.gz LCHCAVMDUFBETH-JRBPQWBISA-N 2 2 379.589 3.969 20 0 GHADLP CC[C@@H]1CC([NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496722 884302038 /nfs/dbraw/zinc/30/20/38/884302038.db2.gz LCHCAVMDUFBETH-JRBPQWBISA-N 2 2 379.589 3.969 20 0 GHADLP CN(C)C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(F)cc1 ZINC000806173118 884394050 /nfs/dbraw/zinc/39/40/50/884394050.db2.gz WRHGFJYUPWIRFO-QHCPKHFHSA-N 2 2 384.543 3.753 20 0 GHADLP Cc1ccc2cc(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)ccc2n1 ZINC000428550389 884718094 /nfs/dbraw/zinc/71/80/94/884718094.db2.gz QYOVNOHPONVVEG-HSZRJFAPSA-N 2 2 375.516 3.924 20 0 GHADLP Cc1ccc2cc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)ccc2n1 ZINC000428550389 884718106 /nfs/dbraw/zinc/71/81/06/884718106.db2.gz QYOVNOHPONVVEG-HSZRJFAPSA-N 2 2 375.516 3.924 20 0 GHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000532479806 885792186 /nfs/dbraw/zinc/79/21/86/885792186.db2.gz QGPUPIRFGIGKGQ-SUMWQHHRSA-N 2 2 379.957 3.879 20 0 GHADLP Cc1ccc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000532583497 886177888 /nfs/dbraw/zinc/17/78/88/886177888.db2.gz ZOHVEQJWQDTUJT-HXUWFJFHSA-N 2 2 395.547 3.767 20 0 GHADLP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000532583497 886177893 /nfs/dbraw/zinc/17/78/93/886177893.db2.gz ZOHVEQJWQDTUJT-HXUWFJFHSA-N 2 2 395.547 3.767 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123582083 886651558 /nfs/dbraw/zinc/65/15/58/886651558.db2.gz XQXMXPYWQWYXFL-LSDHHAIUSA-N 2 2 394.441 3.721 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123582083 886651564 /nfs/dbraw/zinc/65/15/64/886651564.db2.gz XQXMXPYWQWYXFL-LSDHHAIUSA-N 2 2 394.441 3.721 20 0 GHADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000475912289 887703169 /nfs/dbraw/zinc/70/31/69/887703169.db2.gz RIKUSSJBKSQNMZ-OAHLLOKOSA-N 2 2 392.494 3.640 20 0 GHADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000475912289 887703175 /nfs/dbraw/zinc/70/31/75/887703175.db2.gz RIKUSSJBKSQNMZ-OAHLLOKOSA-N 2 2 392.494 3.640 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000105163240 887757277 /nfs/dbraw/zinc/75/72/77/887757277.db2.gz PEOUUBBGPRMWAE-JOCHJYFZSA-N 2 2 386.584 3.585 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000105163240 887757291 /nfs/dbraw/zinc/75/72/91/887757291.db2.gz PEOUUBBGPRMWAE-JOCHJYFZSA-N 2 2 386.584 3.585 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051758818 887780716 /nfs/dbraw/zinc/78/07/16/887780716.db2.gz AIZJWBHEBXDGBF-QGZVFWFLSA-N 2 2 398.551 3.694 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051758662 887781404 /nfs/dbraw/zinc/78/14/04/887781404.db2.gz MCCDRTRWPNJBIJ-MRXNPFEDSA-N 2 2 392.975 3.601 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000054032704 887823088 /nfs/dbraw/zinc/82/30/88/887823088.db2.gz QEDKUDGSPKLEPV-UHFFFAOYSA-N 2 2 376.504 3.703 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000809962102 888003424 /nfs/dbraw/zinc/00/34/24/888003424.db2.gz CGDGYEPUVHOVTC-KZNAEPCWSA-N 2 2 376.545 3.920 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000809962102 888003430 /nfs/dbraw/zinc/00/34/30/888003430.db2.gz CGDGYEPUVHOVTC-KZNAEPCWSA-N 2 2 376.545 3.920 20 0 GHADLP CC(C)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025541004 888024855 /nfs/dbraw/zinc/02/48/55/888024855.db2.gz QKYSOUZXTLFVER-QHCPKHFHSA-N 2 2 388.515 3.685 20 0 GHADLP CC(C)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000025541004 888024870 /nfs/dbraw/zinc/02/48/70/888024870.db2.gz QKYSOUZXTLFVER-QHCPKHFHSA-N 2 2 388.515 3.685 20 0 GHADLP Cc1ccc(N2CCC(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)CC2)[nH+]c1 ZINC000194121595 888055511 /nfs/dbraw/zinc/05/55/11/888055511.db2.gz IUYDMUVVPLJIJN-QFIPXVFZSA-N 2 2 392.547 3.560 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cn2c3c(sc2=O)C[C@@H](C)CC3)CC1 ZINC000763218414 888349601 /nfs/dbraw/zinc/34/96/01/888349601.db2.gz WMLCHYZRNYVVOF-ZWKOTPCHSA-N 2 2 391.625 3.969 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cn2c3c(sc2=O)C[C@@H](C)CC3)CC1 ZINC000763218414 888349611 /nfs/dbraw/zinc/34/96/11/888349611.db2.gz WMLCHYZRNYVVOF-ZWKOTPCHSA-N 2 2 391.625 3.969 20 0 GHADLP COc1ccccc1-c1ncc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cn1 ZINC000644388893 913242428 /nfs/dbraw/zinc/24/24/28/913242428.db2.gz GYPGXLBGAKHPMN-OAQYLSRUSA-N 2 2 399.498 3.959 20 0 GHADLP CN(C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C(c1ccccc1)c1ccccc1 ZINC000532720976 888726313 /nfs/dbraw/zinc/72/63/13/888726313.db2.gz LDURHFNFOHCREH-NRFANRHFSA-N 2 2 388.515 3.837 20 0 GHADLP CN(C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C(c1ccccc1)c1ccccc1 ZINC000532720976 888726323 /nfs/dbraw/zinc/72/63/23/888726323.db2.gz LDURHFNFOHCREH-NRFANRHFSA-N 2 2 388.515 3.837 20 0 GHADLP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000532754881 888889184 /nfs/dbraw/zinc/88/91/84/888889184.db2.gz QYKOSKYXHNJDOT-RDJZCZTQSA-N 2 2 391.968 3.613 20 0 GHADLP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000532754881 888889196 /nfs/dbraw/zinc/88/91/96/888889196.db2.gz QYKOSKYXHNJDOT-RDJZCZTQSA-N 2 2 391.968 3.613 20 0 GHADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccc(Cl)s1 ZINC000532754881 888889198 /nfs/dbraw/zinc/88/91/98/888889198.db2.gz QYKOSKYXHNJDOT-RDJZCZTQSA-N 2 2 391.968 3.613 20 0 GHADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccc(Cl)s1 ZINC000532754881 888889207 /nfs/dbraw/zinc/88/92/07/888889207.db2.gz QYKOSKYXHNJDOT-RDJZCZTQSA-N 2 2 391.968 3.613 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C[C@H]1C(F)(F)F ZINC001168509814 888987119 /nfs/dbraw/zinc/98/71/19/888987119.db2.gz QNTNOLLPRSZVCX-CVEARBPZSA-N 2 2 393.494 3.782 20 0 GHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21)c1ccccc1 ZINC000644546015 913358039 /nfs/dbraw/zinc/35/80/39/913358039.db2.gz KHZXPDVPJHRNRN-MJGOQNOKSA-N 2 2 381.520 3.627 20 0 GHADLP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000868814610 889609977 /nfs/dbraw/zinc/60/99/77/889609977.db2.gz FIUSJGNDTKEWSB-LJQANCHMSA-N 2 2 375.900 3.652 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3ccnc(Cl)c3Cl)[nH+]c2)CC1 ZINC000811484379 889632909 /nfs/dbraw/zinc/63/29/09/889632909.db2.gz VQEICPPFHQYLFT-UHFFFAOYSA-N 2 2 380.323 3.926 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccc([S@](C)=O)cc3)CC2)c1 ZINC000124543181 889669430 /nfs/dbraw/zinc/66/94/30/889669430.db2.gz LGJXXFIETQHGPZ-PIIWDFAUSA-N 2 2 399.604 3.595 20 0 GHADLP CCc1oc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000124708203 889731564 /nfs/dbraw/zinc/73/15/64/889731564.db2.gz DGUIXTPDXUOVBU-RTBURBONSA-N 2 2 375.557 3.560 20 0 GHADLP CCc1oc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000124708203 889731572 /nfs/dbraw/zinc/73/15/72/889731572.db2.gz DGUIXTPDXUOVBU-RTBURBONSA-N 2 2 375.557 3.560 20 0 GHADLP CCc1oc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000124708090 889731934 /nfs/dbraw/zinc/73/19/34/889731934.db2.gz DGUIXTPDXUOVBU-OALUTQOASA-N 2 2 375.557 3.560 20 0 GHADLP CCc1oc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000124708090 889731944 /nfs/dbraw/zinc/73/19/44/889731944.db2.gz DGUIXTPDXUOVBU-OALUTQOASA-N 2 2 375.557 3.560 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[NH+]1CCSCC1 ZINC000124964038 889830092 /nfs/dbraw/zinc/83/00/92/889830092.db2.gz LKATZOBQICUUNV-QGZVFWFLSA-N 2 2 375.582 3.827 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[NH+]1CCSCC1 ZINC000124964038 889830094 /nfs/dbraw/zinc/83/00/94/889830094.db2.gz LKATZOBQICUUNV-QGZVFWFLSA-N 2 2 375.582 3.827 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3ccccc3C(F)(F)F)[nH+]c2)CC1 ZINC000533187619 889977047 /nfs/dbraw/zinc/97/70/47/889977047.db2.gz YEWUCUODABXAKT-UHFFFAOYSA-N 2 2 378.442 3.665 20 0 GHADLP FC(F)(F)c1csc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000123320555 890503027 /nfs/dbraw/zinc/50/30/27/890503027.db2.gz RKTMECVCWJGHIJ-UHFFFAOYSA-N 2 2 385.455 3.926 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CC(=O)Nc2cccc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000812829114 891013078 /nfs/dbraw/zinc/01/30/78/891013078.db2.gz MNOPIFFCBWZSBD-WIYYLYMNSA-N 2 2 388.515 3.816 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CC(=O)Nc2cccc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000812829114 891013093 /nfs/dbraw/zinc/01/30/93/891013093.db2.gz MNOPIFFCBWZSBD-WIYYLYMNSA-N 2 2 388.515 3.816 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000812841544 891028437 /nfs/dbraw/zinc/02/84/37/891028437.db2.gz ALAXXYHRBQWLEX-VQTJNVASSA-N 3 2 384.612 3.964 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000812841544 891028453 /nfs/dbraw/zinc/02/84/53/891028453.db2.gz ALAXXYHRBQWLEX-VQTJNVASSA-N 3 2 384.612 3.964 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170690675 891103671 /nfs/dbraw/zinc/10/36/71/891103671.db2.gz UIDCVJMPSPOUKP-UGKGYDQZSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170690675 891103675 /nfs/dbraw/zinc/10/36/75/891103675.db2.gz UIDCVJMPSPOUKP-UGKGYDQZSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170690675 891103679 /nfs/dbraw/zinc/10/36/79/891103679.db2.gz UIDCVJMPSPOUKP-UGKGYDQZSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170690675 891103683 /nfs/dbraw/zinc/10/36/83/891103683.db2.gz UIDCVJMPSPOUKP-UGKGYDQZSA-N 2 2 378.507 3.645 20 0 GHADLP Cc1ccsc1CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533672781 891111596 /nfs/dbraw/zinc/11/15/96/891111596.db2.gz UMYXVPGMUIDICK-MOPGFXCFSA-N 2 2 392.613 3.535 20 0 GHADLP Cc1ccsc1CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533672781 891111600 /nfs/dbraw/zinc/11/16/00/891111600.db2.gz UMYXVPGMUIDICK-MOPGFXCFSA-N 2 2 392.613 3.535 20 0 GHADLP C[C@H](O)[C@](C)(C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Cc1ccccc1 ZINC000249713091 891518796 /nfs/dbraw/zinc/51/87/96/891518796.db2.gz ZFTLLXUIJWVNSD-SHBJFUFKSA-N 2 2 381.564 3.511 20 0 GHADLP C[C@H](O)[C@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Cc1ccccc1 ZINC000249713091 891518799 /nfs/dbraw/zinc/51/87/99/891518799.db2.gz ZFTLLXUIJWVNSD-SHBJFUFKSA-N 2 2 381.564 3.511 20 0 GHADLP Cn1ccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccc(Cl)cc2)n1 ZINC000497411401 891557210 /nfs/dbraw/zinc/55/72/10/891557210.db2.gz OZTQRFQJEBSKHE-OAQYLSRUSA-N 2 2 381.911 3.817 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@]3([NH+](C)C)CCC[C@@H](C)C3)cn2c1 ZINC000497437290 891577744 /nfs/dbraw/zinc/57/77/44/891577744.db2.gz TVKYEVMJGACCSD-IERDGZPVSA-N 2 2 388.581 3.503 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497473138 891651712 /nfs/dbraw/zinc/65/17/12/891651712.db2.gz PSPCEOKQXICZGP-YADHBBJMSA-N 2 2 399.485 3.736 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497473138 891651722 /nfs/dbraw/zinc/65/17/22/891651722.db2.gz PSPCEOKQXICZGP-YADHBBJMSA-N 2 2 399.485 3.736 20 0 GHADLP C[NH+](C)Cc1ccc(-c2noc([C@H]([NH3+])c3ccc(Br)cc3)n2)cc1 ZINC001212093267 891951635 /nfs/dbraw/zinc/95/16/35/891951635.db2.gz OOBRGEFHDXFPRP-MRXNPFEDSA-N 2 2 387.281 3.609 20 0 GHADLP CC(C)n1cc(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cn1 ZINC001137078176 892083929 /nfs/dbraw/zinc/08/39/29/892083929.db2.gz ZZZHQWJVHUOACG-UHFFFAOYSA-N 2 2 379.508 3.642 20 0 GHADLP CC(C)n1cc(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cn1 ZINC001137078176 892083960 /nfs/dbraw/zinc/08/39/60/892083960.db2.gz ZZZHQWJVHUOACG-UHFFFAOYSA-N 2 2 379.508 3.642 20 0 GHADLP CC(C)n1cc(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)cn1 ZINC001137078176 892083980 /nfs/dbraw/zinc/08/39/80/892083980.db2.gz ZZZHQWJVHUOACG-UHFFFAOYSA-N 2 2 379.508 3.642 20 0 GHADLP CC(C)n1cc(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)cn1 ZINC001137078176 892084000 /nfs/dbraw/zinc/08/40/00/892084000.db2.gz ZZZHQWJVHUOACG-UHFFFAOYSA-N 2 2 379.508 3.642 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000428636310 892969958 /nfs/dbraw/zinc/96/99/58/892969958.db2.gz ZASICPUZHXZLSG-SFHVURJKSA-N 2 2 395.551 3.586 20 0 GHADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508721212 892970221 /nfs/dbraw/zinc/97/02/21/892970221.db2.gz ULXSDISZBYXZNN-QPPBQGQZSA-N 3 2 388.559 3.974 20 0 GHADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721212 892970229 /nfs/dbraw/zinc/97/02/29/892970229.db2.gz ULXSDISZBYXZNN-QPPBQGQZSA-N 3 2 388.559 3.974 20 0 GHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c2ccccc21 ZINC000562957078 893213720 /nfs/dbraw/zinc/21/37/20/893213720.db2.gz SOGBFJABMAAOOC-IKGGRYGDSA-N 2 2 376.287 3.833 20 0 GHADLP CN1c2ccc(C[NH2+]C[C@]3(C)CCC[N@@H+]3Cc3ccccc3)cc2CCC1=O ZINC000778200761 893242019 /nfs/dbraw/zinc/24/20/19/893242019.db2.gz AAXZLNLQICXVOL-DEOSSOPVSA-N 2 2 377.532 3.740 20 0 GHADLP CN1c2ccc(C[NH2+]C[C@]3(C)CCC[N@H+]3Cc3ccccc3)cc2CCC1=O ZINC000778200761 893242033 /nfs/dbraw/zinc/24/20/33/893242033.db2.gz AAXZLNLQICXVOL-DEOSSOPVSA-N 2 2 377.532 3.740 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000918197420 893304202 /nfs/dbraw/zinc/30/42/02/893304202.db2.gz ONTDMSVKVDEDFL-UHFFFAOYSA-N 2 2 375.879 3.799 20 0 GHADLP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000778216787 893389830 /nfs/dbraw/zinc/38/98/30/893389830.db2.gz PLPMCVKNQWLDNE-WMLDXEAASA-N 2 2 376.526 3.669 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nc(Cl)cs2)CC1 ZINC000877021360 893440413 /nfs/dbraw/zinc/44/04/13/893440413.db2.gz SCSMLFGDQBJJNE-CYBMUJFWSA-N 2 2 382.936 3.928 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC000459420896 893500954 /nfs/dbraw/zinc/50/09/54/893500954.db2.gz GUUHTLCZTGILAD-UHFFFAOYSA-N 2 2 376.460 3.596 20 0 GHADLP CC(C)N1C(=O)C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000459492179 893662448 /nfs/dbraw/zinc/66/24/48/893662448.db2.gz YETDPSZSFXETAQ-TZIWHRDSSA-N 2 2 393.934 3.746 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)ccc1Cl ZINC000877624661 893726893 /nfs/dbraw/zinc/72/68/93/893726893.db2.gz GTNYLPDRAYHSTG-JXFKEZNVSA-N 2 2 399.922 3.979 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)ccc1Cl ZINC000877624661 893726897 /nfs/dbraw/zinc/72/68/97/893726897.db2.gz GTNYLPDRAYHSTG-JXFKEZNVSA-N 2 2 399.922 3.979 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(Cc3cccc(Cl)c3)CC2)CC1 ZINC000459711447 894134524 /nfs/dbraw/zinc/13/45/24/894134524.db2.gz MOBFMKWTLDUQLZ-UHFFFAOYSA-N 2 2 378.944 3.670 20 0 GHADLP CCOC(=O)c1cccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)n1 ZINC000878572894 894395659 /nfs/dbraw/zinc/39/56/59/894395659.db2.gz HBQTWWQPUBFNDC-KRWDZBQOSA-N 2 2 387.549 3.582 20 0 GHADLP CCOC(=O)c1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)n1 ZINC000878572894 894395677 /nfs/dbraw/zinc/39/56/77/894395677.db2.gz HBQTWWQPUBFNDC-KRWDZBQOSA-N 2 2 387.549 3.582 20 0 GHADLP CCOC(=O)c1cccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)n1 ZINC000878572894 894395697 /nfs/dbraw/zinc/39/56/97/894395697.db2.gz HBQTWWQPUBFNDC-KRWDZBQOSA-N 2 2 387.549 3.582 20 0 GHADLP CCOC(=O)c1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)n1 ZINC000878572894 894395717 /nfs/dbraw/zinc/39/57/17/894395717.db2.gz HBQTWWQPUBFNDC-KRWDZBQOSA-N 2 2 387.549 3.582 20 0 GHADLP CC(C)[NH+]1CCC(CCNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000878662774 894494799 /nfs/dbraw/zinc/49/47/99/894494799.db2.gz FEMLWOQTZKAUMS-UHFFFAOYSA-N 2 2 399.539 3.594 20 0 GHADLP COc1cccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cs2)c1OC ZINC000564662488 895164155 /nfs/dbraw/zinc/16/41/55/895164155.db2.gz ZIPQATPBKBRYFU-ZNMIVQPWSA-N 2 2 375.538 3.633 20 0 GHADLP COc1cccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cs2)c1OC ZINC000564662488 895164156 /nfs/dbraw/zinc/16/41/56/895164156.db2.gz ZIPQATPBKBRYFU-ZNMIVQPWSA-N 2 2 375.538 3.633 20 0 GHADLP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1c[nH+]ccc1Nc1ccccc1 ZINC001135769116 895217704 /nfs/dbraw/zinc/21/77/04/895217704.db2.gz REFMPPHIMHJVPF-UHFFFAOYSA-N 2 2 386.499 3.773 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](C[NH3+])C2)cc1Cl ZINC000564988134 895338905 /nfs/dbraw/zinc/33/89/05/895338905.db2.gz ONZUISWBNIJZDB-QRWLVFNGSA-N 2 2 387.911 3.699 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H](C[NH3+])C2)cc1Cl ZINC000564988134 895338921 /nfs/dbraw/zinc/33/89/21/895338921.db2.gz ONZUISWBNIJZDB-QRWLVFNGSA-N 2 2 387.911 3.699 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)NCCc3ccccc3)C2)s1 ZINC000565049876 895370271 /nfs/dbraw/zinc/37/02/71/895370271.db2.gz UGDJKKRSIGHQKQ-CTNGQTDRSA-N 2 2 399.604 3.558 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)NCCc3ccccc3)C2)s1 ZINC000565049876 895370289 /nfs/dbraw/zinc/37/02/89/895370289.db2.gz UGDJKKRSIGHQKQ-CTNGQTDRSA-N 2 2 399.604 3.558 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NCCc3ccccc3)C2)s1 ZINC000565049876 895370305 /nfs/dbraw/zinc/37/03/05/895370305.db2.gz UGDJKKRSIGHQKQ-CTNGQTDRSA-N 2 2 399.604 3.558 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NCCc3ccccc3)C2)s1 ZINC000565049876 895370323 /nfs/dbraw/zinc/37/03/23/895370323.db2.gz UGDJKKRSIGHQKQ-CTNGQTDRSA-N 2 2 399.604 3.558 20 0 GHADLP O[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000817274331 895462193 /nfs/dbraw/zinc/46/21/93/895462193.db2.gz KGWBAGPKYAITDQ-RPWUZVMVSA-N 2 2 380.532 3.607 20 0 GHADLP O[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000817274331 895462201 /nfs/dbraw/zinc/46/22/01/895462201.db2.gz KGWBAGPKYAITDQ-RPWUZVMVSA-N 2 2 380.532 3.607 20 0 GHADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000880132889 895531971 /nfs/dbraw/zinc/53/19/71/895531971.db2.gz GYSHXFCEYQWYEZ-JQVVWYNYSA-N 2 2 383.561 3.512 20 0 GHADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000880132889 895531981 /nfs/dbraw/zinc/53/19/81/895531981.db2.gz GYSHXFCEYQWYEZ-JQVVWYNYSA-N 2 2 383.561 3.512 20 0 GHADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000880132889 895531990 /nfs/dbraw/zinc/53/19/90/895531990.db2.gz GYSHXFCEYQWYEZ-JQVVWYNYSA-N 2 2 383.561 3.512 20 0 GHADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000880132889 895531996 /nfs/dbraw/zinc/53/19/96/895531996.db2.gz GYSHXFCEYQWYEZ-JQVVWYNYSA-N 2 2 383.561 3.512 20 0 GHADLP O[C@H](C[NH2+]CC[C@H](c1ccccc1)C(F)(F)F)C[N@@H+]1CCc2ccccc2C1 ZINC000565535090 895707377 /nfs/dbraw/zinc/70/73/77/895707377.db2.gz FEPYMBLGIITTQD-NHCUHLMSSA-N 2 2 392.465 3.731 20 0 GHADLP O[C@H](C[NH2+]CC[C@H](c1ccccc1)C(F)(F)F)C[N@H+]1CCc2ccccc2C1 ZINC000565535090 895707393 /nfs/dbraw/zinc/70/73/93/895707393.db2.gz FEPYMBLGIITTQD-NHCUHLMSSA-N 2 2 392.465 3.731 20 0 GHADLP CC(C)CNC(=O)c1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000880568768 895750664 /nfs/dbraw/zinc/75/06/64/895750664.db2.gz GEYGUFFFKKMWGM-JOCHJYFZSA-N 2 2 376.504 3.800 20 0 GHADLP CC[NH+](CC)Cc1nc(C2([NH2+][C@H]3CCc4cccnc4CC3)CCCC2)no1 ZINC000817581985 895751268 /nfs/dbraw/zinc/75/12/68/895751268.db2.gz XICBMJKAGWRWHO-SFHVURJKSA-N 2 2 383.540 3.613 20 0 GHADLP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000565862265 895939745 /nfs/dbraw/zinc/93/97/45/895939745.db2.gz XZIUUHJTLJLHMW-NVXWUHKLSA-N 2 2 399.398 3.763 20 0 GHADLP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000565862265 895939752 /nfs/dbraw/zinc/93/97/52/895939752.db2.gz XZIUUHJTLJLHMW-NVXWUHKLSA-N 2 2 399.398 3.763 20 0 GHADLP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000565862265 895939762 /nfs/dbraw/zinc/93/97/62/895939762.db2.gz XZIUUHJTLJLHMW-NVXWUHKLSA-N 2 2 399.398 3.763 20 0 GHADLP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000565862265 895939767 /nfs/dbraw/zinc/93/97/67/895939767.db2.gz XZIUUHJTLJLHMW-NVXWUHKLSA-N 2 2 399.398 3.763 20 0 GHADLP Clc1cccc([C@H](Cc2cccnc2)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1 ZINC000566087804 896099973 /nfs/dbraw/zinc/09/99/73/896099973.db2.gz RNXQYIWLLFFTPE-NRFANRHFSA-N 2 2 393.922 3.936 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000566135878 896135113 /nfs/dbraw/zinc/13/51/13/896135113.db2.gz KXXZGXOBIYOSKW-OAQYLSRUSA-N 2 2 380.536 3.845 20 0 GHADLP CC(C)c1ccccc1OC[C@H](O)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000567042642 896825717 /nfs/dbraw/zinc/82/57/17/896825717.db2.gz PIWAQMVMFUCPOM-OAQYLSRUSA-N 2 2 379.504 3.584 20 0 GHADLP CCC1([NH+]2CCCCC2)CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000883096297 897276269 /nfs/dbraw/zinc/27/62/69/897276269.db2.gz CNIGQHICYIWTRV-UHFFFAOYSA-N 2 2 399.583 3.622 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc2c(c1)C[N@H+]([C@H]1CC[NH+]3CCC[C@H]3C1)CCO2 ZINC000883279126 897436659 /nfs/dbraw/zinc/43/66/59/897436659.db2.gz JOXFKMHQZWOFPG-OALUTQOASA-N 2 2 387.524 3.855 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH+]3CCC[C@H]3C1)CCO2 ZINC000883279126 897436667 /nfs/dbraw/zinc/43/66/67/897436667.db2.gz JOXFKMHQZWOFPG-OALUTQOASA-N 2 2 387.524 3.855 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc2c(c1)C[NH+]([C@H]1CC[N@@H+]3CCC[C@H]3C1)CCO2 ZINC000883279126 897436671 /nfs/dbraw/zinc/43/66/71/897436671.db2.gz JOXFKMHQZWOFPG-OALUTQOASA-N 2 2 387.524 3.855 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc2c(c1)C[NH+]([C@H]1CC[N@H+]3CCC[C@H]3C1)CCO2 ZINC000883279126 897436673 /nfs/dbraw/zinc/43/66/73/897436673.db2.gz JOXFKMHQZWOFPG-OALUTQOASA-N 2 2 387.524 3.855 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386145 897548782 /nfs/dbraw/zinc/54/87/82/897548782.db2.gz AIGNPWHTLVUNMW-HRAATJIYSA-N 2 2 378.476 3.942 20 0 GHADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386634 897550157 /nfs/dbraw/zinc/55/01/57/897550157.db2.gz KDIGYUZJSGHBRG-YLJYHZDGSA-N 2 2 378.476 3.640 20 0 GHADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000568995572 898264734 /nfs/dbraw/zinc/26/47/34/898264734.db2.gz GGXKDHFYCSUGOT-MEMLXQNLSA-N 2 2 378.520 3.831 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000569158607 898376232 /nfs/dbraw/zinc/37/62/32/898376232.db2.gz XUYVYTBTDBBPJF-FQEVSTJZSA-N 2 2 383.492 3.659 20 0 GHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000111244472 898794072 /nfs/dbraw/zinc/79/40/72/898794072.db2.gz NVOWBZLPNLMEAG-UHFFFAOYSA-N 2 2 396.491 3.590 20 0 GHADLP O[C@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)Cc1ccccc1C(F)(F)F ZINC000569715973 898907262 /nfs/dbraw/zinc/90/72/62/898907262.db2.gz XFIKETRBFJUAKX-IBGZPJMESA-N 2 2 389.421 3.643 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000331719326 899102988 /nfs/dbraw/zinc/10/29/88/899102988.db2.gz QRBNZDKQZZRHHV-WBMJQRKESA-N 2 2 398.320 3.802 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000331719326 899102993 /nfs/dbraw/zinc/10/29/93/899102993.db2.gz QRBNZDKQZZRHHV-WBMJQRKESA-N 2 2 398.320 3.802 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000823653955 899165126 /nfs/dbraw/zinc/16/51/26/899165126.db2.gz JNAWTYCOBNKLFP-IEBWSBKVSA-N 2 2 388.556 3.818 20 0 GHADLP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)ccc1Br ZINC000331899872 899251507 /nfs/dbraw/zinc/25/15/07/899251507.db2.gz GPOPQNHXNMQSQG-CYBMUJFWSA-N 2 2 391.313 3.687 20 0 GHADLP Fc1ccccc1-c1ncc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000823851504 899280052 /nfs/dbraw/zinc/28/00/52/899280052.db2.gz MSZOFWRFFZKQKE-INIZCTEOSA-N 2 2 375.513 3.682 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000823851570 899280233 /nfs/dbraw/zinc/28/02/33/899280233.db2.gz PLMDOWCODZGRPD-NRFANRHFSA-N 3 2 379.633 3.899 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC000824381594 899575093 /nfs/dbraw/zinc/57/50/93/899575093.db2.gz XUYBGQCJOBMYQR-UHFFFAOYSA-N 2 2 383.323 3.630 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccccc2)C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000824395477 899582667 /nfs/dbraw/zinc/58/26/67/899582667.db2.gz GHVHBEXUCAVJJE-RDPSFJRHSA-N 2 2 399.579 3.840 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000824395477 899582679 /nfs/dbraw/zinc/58/26/79/899582679.db2.gz GHVHBEXUCAVJJE-RDPSFJRHSA-N 2 2 399.579 3.840 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1c1ccccc1 ZINC000824414398 899612441 /nfs/dbraw/zinc/61/24/41/899612441.db2.gz ACMKNEAQRFNWPZ-WFXMLNOXSA-N 2 2 396.535 3.997 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000824477379 899621084 /nfs/dbraw/zinc/62/10/84/899621084.db2.gz QXAVCBFOLWIAMX-CQSZACIVSA-N 2 2 376.888 3.625 20 0 GHADLP CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC000824640077 899732093 /nfs/dbraw/zinc/73/20/93/899732093.db2.gz ZHZFFNVJHKDKCK-QGZVFWFLSA-N 2 2 397.350 3.874 20 0 GHADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000824642494 899733091 /nfs/dbraw/zinc/73/30/91/899733091.db2.gz CKOFBCJXJCONNG-IAGOWNOFSA-N 2 2 390.572 3.613 20 0 GHADLP Cc1ccc2c(C[NH+]3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)c[nH]c2c1 ZINC001136971470 899924716 /nfs/dbraw/zinc/92/47/16/899924716.db2.gz CIIZSMQABSQBEB-UHFFFAOYSA-N 2 2 376.504 3.743 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c4cccc(F)c34)CC2)C1 ZINC001136980029 899943667 /nfs/dbraw/zinc/94/36/67/899943667.db2.gz ZLRHXBNKBKPEED-INIZCTEOSA-N 2 2 387.499 3.547 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c4cccc(F)c34)CC2)C1 ZINC001136980029 899943682 /nfs/dbraw/zinc/94/36/82/899943682.db2.gz ZLRHXBNKBKPEED-INIZCTEOSA-N 2 2 387.499 3.547 20 0 GHADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000572089170 900064810 /nfs/dbraw/zinc/06/48/10/900064810.db2.gz TTXXIHQUBVKBEQ-RTBURBONSA-N 2 2 376.614 3.788 20 0 GHADLP COc1ccc(-c2ncc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)s2)cc1OC ZINC001144068249 901012755 /nfs/dbraw/zinc/01/27/55/901012755.db2.gz SXJDVCMIFSDRDM-KRWDZBQOSA-N 2 2 397.500 3.876 20 0 GHADLP COc1ccc(-c2ncc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)s2)cc1OC ZINC001144068249 901012767 /nfs/dbraw/zinc/01/27/67/901012767.db2.gz SXJDVCMIFSDRDM-KRWDZBQOSA-N 2 2 397.500 3.876 20 0 GHADLP O=c1[nH]c2ccccc2n1CCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000574928609 901056944 /nfs/dbraw/zinc/05/69/44/901056944.db2.gz NZFPPHMNVNEYDQ-QGZVFWFLSA-N 2 2 379.508 3.544 20 0 GHADLP O=c1[nH]c2ccccc2n1CCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000574928609 901056954 /nfs/dbraw/zinc/05/69/54/901056954.db2.gz NZFPPHMNVNEYDQ-QGZVFWFLSA-N 2 2 379.508 3.544 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 ZINC000844710443 901185724 /nfs/dbraw/zinc/18/57/24/901185724.db2.gz ULEDQTYXUUHPHL-SFHVURJKSA-N 2 2 382.508 3.604 20 0 GHADLP CCc1cc2c(CC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)csc2s1 ZINC001144203609 901281844 /nfs/dbraw/zinc/28/18/44/901281844.db2.gz CYLOOEIEIOEEPI-UHFFFAOYSA-N 2 2 393.622 3.552 20 0 GHADLP CCc1cc2c(CC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)csc2s1 ZINC001144203609 901281849 /nfs/dbraw/zinc/28/18/49/901281849.db2.gz CYLOOEIEIOEEPI-UHFFFAOYSA-N 2 2 393.622 3.552 20 0 GHADLP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC001144204981 901282853 /nfs/dbraw/zinc/28/28/53/901282853.db2.gz BQRCOTVONHKKME-HXUWFJFHSA-N 2 2 375.532 3.513 20 0 GHADLP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC001144204981 901282866 /nfs/dbraw/zinc/28/28/66/901282866.db2.gz BQRCOTVONHKKME-HXUWFJFHSA-N 2 2 375.532 3.513 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000263849914 902606522 /nfs/dbraw/zinc/60/65/22/902606522.db2.gz RUCMNEPMYMVKNE-SFHVURJKSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000263849914 902606531 /nfs/dbraw/zinc/60/65/31/902606531.db2.gz RUCMNEPMYMVKNE-SFHVURJKSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000600945730 903144128 /nfs/dbraw/zinc/14/41/28/903144128.db2.gz JPSYCCAAIIXMQT-IERDGZPVSA-N 2 2 385.939 3.506 20 0 GHADLP C[C@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000600945730 903144138 /nfs/dbraw/zinc/14/41/38/903144138.db2.gz JPSYCCAAIIXMQT-IERDGZPVSA-N 2 2 385.939 3.506 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)C1 ZINC001171280779 903579163 /nfs/dbraw/zinc/57/91/63/903579163.db2.gz BYZGYRWDMCNXGY-PJEZACDQSA-N 2 2 391.515 3.679 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)C1 ZINC001171280779 903579167 /nfs/dbraw/zinc/57/91/67/903579167.db2.gz BYZGYRWDMCNXGY-PJEZACDQSA-N 2 2 391.515 3.679 20 0 GHADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000265181844 903691405 /nfs/dbraw/zinc/69/14/05/903691405.db2.gz DWPXYAMZDASOST-LJQANCHMSA-N 2 2 395.547 3.779 20 0 GHADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000265181844 903691414 /nfs/dbraw/zinc/69/14/14/903691414.db2.gz DWPXYAMZDASOST-LJQANCHMSA-N 2 2 395.547 3.779 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000152217486 904247046 /nfs/dbraw/zinc/24/70/46/904247046.db2.gz BAYPHNBCQBNSLM-UHFFFAOYSA-N 2 2 394.906 3.920 20 0 GHADLP Oc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4cc(F)c(F)c(F)c4C3)CC2)cc1 ZINC001171519525 904794804 /nfs/dbraw/zinc/79/48/04/904794804.db2.gz HIMBQCXZLSKLKQ-QGZVFWFLSA-N 2 2 390.449 3.921 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)c1C ZINC000646781986 914844620 /nfs/dbraw/zinc/84/46/20/914844620.db2.gz XSGQBDZUCPLQMM-FQEVSTJZSA-N 2 2 381.520 3.545 20 0 GHADLP CCOC(=O)C1(C)CCC([NH2+]C2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC001171935533 905191261 /nfs/dbraw/zinc/19/12/61/905191261.db2.gz ARUWUDCHSYJXKR-UHFFFAOYSA-N 2 2 388.552 3.761 20 0 GHADLP COc1ccc(N2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)nc1 ZINC001171987562 905251844 /nfs/dbraw/zinc/25/18/44/905251844.db2.gz XEWWXKPKHIVLFV-OAQYLSRUSA-N 2 2 394.563 3.655 20 0 GHADLP COc1ccc(N2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)nc1 ZINC001171987562 905251854 /nfs/dbraw/zinc/25/18/54/905251854.db2.gz XEWWXKPKHIVLFV-OAQYLSRUSA-N 2 2 394.563 3.655 20 0 GHADLP CC[N@@H+](Cc1nnc(-c2ccccc2)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391166 905263992 /nfs/dbraw/zinc/26/39/92/905263992.db2.gz GOQBXWHZEVMZGJ-UHFFFAOYSA-N 2 2 377.492 3.870 20 0 GHADLP CC[N@H+](Cc1nnc(-c2ccccc2)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391166 905264011 /nfs/dbraw/zinc/26/40/11/905264011.db2.gz GOQBXWHZEVMZGJ-UHFFFAOYSA-N 2 2 377.492 3.870 20 0 GHADLP CC(C)Oc1nccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001172069124 905336811 /nfs/dbraw/zinc/33/68/11/905336811.db2.gz ZYOZUKOKHLPRHT-KOUNCHBCSA-N 2 2 380.536 3.939 20 0 GHADLP CC(C)Oc1nccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172069124 905336827 /nfs/dbraw/zinc/33/68/27/905336827.db2.gz ZYOZUKOKHLPRHT-KOUNCHBCSA-N 2 2 380.536 3.939 20 0 GHADLP CC(C)OCC[C@@H](C)[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001172451786 905569779 /nfs/dbraw/zinc/56/97/79/905569779.db2.gz NFSKAWDMIYMDDC-UYAOXDASSA-N 2 2 381.511 3.818 20 0 GHADLP CC(C)OCC[C@@H](C)[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001172451786 905569787 /nfs/dbraw/zinc/56/97/87/905569787.db2.gz NFSKAWDMIYMDDC-UYAOXDASSA-N 2 2 381.511 3.818 20 0 GHADLP CC(C)OCC[C@@H](C)[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001172451786 905569800 /nfs/dbraw/zinc/56/98/00/905569800.db2.gz NFSKAWDMIYMDDC-UYAOXDASSA-N 2 2 381.511 3.818 20 0 GHADLP CC(C)OCC[C@@H](C)[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001172451786 905569816 /nfs/dbraw/zinc/56/98/16/905569816.db2.gz NFSKAWDMIYMDDC-UYAOXDASSA-N 2 2 381.511 3.818 20 0 GHADLP Cc1ccc2c(c1)C[C@@H](N(c1cccc[nH+]1)[C@H]1COC3(C1)CC[NH2+]CC3)CC2 ZINC001172831114 905861962 /nfs/dbraw/zinc/86/19/62/905861962.db2.gz FSTMZYMCWHGZRF-FCHUYYIVSA-N 2 2 377.532 3.665 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)Cc1ccc(F)cc1Cl)C2 ZINC001172868788 905889708 /nfs/dbraw/zinc/88/97/08/905889708.db2.gz VVTOLQYMDXWUEO-HNNXBMFYSA-N 2 2 378.923 3.963 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)Cc1ccc(F)cc1Cl)C2 ZINC001172868788 905889716 /nfs/dbraw/zinc/88/97/16/905889716.db2.gz VVTOLQYMDXWUEO-HNNXBMFYSA-N 2 2 378.923 3.963 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H](C)Cc1ccc(F)cc1Cl)C2 ZINC001172868788 905889742 /nfs/dbraw/zinc/88/97/42/905889742.db2.gz VVTOLQYMDXWUEO-HNNXBMFYSA-N 2 2 378.923 3.963 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccc(F)cc1Cl)C2 ZINC001172868788 905889751 /nfs/dbraw/zinc/88/97/51/905889751.db2.gz VVTOLQYMDXWUEO-HNNXBMFYSA-N 2 2 378.923 3.963 20 0 GHADLP Cc1ccc(N([C@H](C)CCN(C)C(=O)OC(C)(C)C)C2CC[NH2+]CC2)[nH+]c1 ZINC001172967134 906028164 /nfs/dbraw/zinc/02/81/64/906028164.db2.gz GSVZUHSEJZBKHO-QGZVFWFLSA-N 2 2 376.545 3.594 20 0 GHADLP C[C@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CN1C(=O)OC(C)(C)C ZINC001173057077 906131717 /nfs/dbraw/zinc/13/17/17/906131717.db2.gz CLEZOZCISKOXTK-IRXDYDNUSA-N 2 2 391.531 3.864 20 0 GHADLP C[C@@H]1CC[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CN1C(=O)OC(C)(C)C ZINC001173068755 906159862 /nfs/dbraw/zinc/15/98/62/906159862.db2.gz PKAPEZCLGKTDHK-IEBWSBKVSA-N 2 2 388.556 3.676 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001173663886 906601882 /nfs/dbraw/zinc/60/18/82/906601882.db2.gz JCWKWQXBNPFAEG-WIYYLYMNSA-N 2 2 376.516 3.844 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001173663886 906601887 /nfs/dbraw/zinc/60/18/87/906601887.db2.gz JCWKWQXBNPFAEG-WIYYLYMNSA-N 2 2 376.516 3.844 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173672658 906609164 /nfs/dbraw/zinc/60/91/64/906609164.db2.gz ZIXJVDRTSPKIJQ-UHFFFAOYSA-N 2 2 387.465 3.749 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173672658 906609170 /nfs/dbraw/zinc/60/91/70/906609170.db2.gz ZIXJVDRTSPKIJQ-UHFFFAOYSA-N 2 2 387.465 3.749 20 0 GHADLP Cn1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(-c2ccccc2)n1 ZINC000179900388 906628315 /nfs/dbraw/zinc/62/83/15/906628315.db2.gz BUSXYYLCBQWQMK-UHFFFAOYSA-N 2 2 389.547 3.621 20 0 GHADLP Cn1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(-c2ccccc2)n1 ZINC000179900388 906628331 /nfs/dbraw/zinc/62/83/31/906628331.db2.gz BUSXYYLCBQWQMK-UHFFFAOYSA-N 2 2 389.547 3.621 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)cn1 ZINC000180033493 906671568 /nfs/dbraw/zinc/67/15/68/906671568.db2.gz DIYSHIBUTHLWFF-CYBMUJFWSA-N 2 2 380.883 3.967 20 0 GHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629657208 906935105 /nfs/dbraw/zinc/93/51/05/906935105.db2.gz UXZFBLLDDBPQPL-ICSRJNTNSA-N 2 2 394.485 3.816 20 0 GHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629657208 906935120 /nfs/dbraw/zinc/93/51/20/906935120.db2.gz UXZFBLLDDBPQPL-ICSRJNTNSA-N 2 2 394.485 3.816 20 0 GHADLP CCCCOC(=O)N1CCN(c2[nH+]cccc2Nc2ccc3[nH+]ccn3c2)CC1 ZINC001174278666 906969632 /nfs/dbraw/zinc/96/96/32/906969632.db2.gz OSYFGAQEHCNCGM-UHFFFAOYSA-N 2 2 394.479 3.532 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000366041463 921293116 /nfs/dbraw/zinc/29/31/16/921293116.db2.gz SMHPQNYBSMYQHE-NRFANRHFSA-N 2 2 395.551 3.532 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000366041463 921293118 /nfs/dbraw/zinc/29/31/18/921293118.db2.gz SMHPQNYBSMYQHE-NRFANRHFSA-N 2 2 395.551 3.532 20 0 GHADLP CN(C(=O)Nc1cccc2[nH]ccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183077972 907323994 /nfs/dbraw/zinc/32/39/94/907323994.db2.gz DYDQBKPCZOSJGB-YADHBBJMSA-N 2 2 397.567 3.969 20 0 GHADLP CN(C(=O)Nc1cccc2[nH]ccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183077972 907324009 /nfs/dbraw/zinc/32/40/09/907324009.db2.gz DYDQBKPCZOSJGB-YADHBBJMSA-N 2 2 397.567 3.969 20 0 GHADLP C[C@@]12C[NH+](CCOC(=O)Cc3ccccc3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001175382102 907528832 /nfs/dbraw/zinc/52/88/32/907528832.db2.gz NAENVQFUFYMYLP-DQEYMECFSA-N 2 2 392.543 3.616 20 0 GHADLP C[C@H]1C[C@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000631655889 907792994 /nfs/dbraw/zinc/79/29/94/907792994.db2.gz KOOUVZQICMRNEF-SIKLNZKXSA-N 2 2 388.515 3.584 20 0 GHADLP C[C@H]1C[C@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000631655889 907792995 /nfs/dbraw/zinc/79/29/95/907792995.db2.gz KOOUVZQICMRNEF-SIKLNZKXSA-N 2 2 388.515 3.584 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176274275 908007729 /nfs/dbraw/zinc/00/77/29/908007729.db2.gz TURVSWJUGLURNC-OKZBNKHCSA-N 2 2 392.503 3.604 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176274275 908007747 /nfs/dbraw/zinc/00/77/47/908007747.db2.gz TURVSWJUGLURNC-OKZBNKHCSA-N 2 2 392.503 3.604 20 0 GHADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc(-c4ccccc4Cl)cs3)C2)CC1 ZINC000187002574 908018451 /nfs/dbraw/zinc/01/84/51/908018451.db2.gz MRVJLYQEMPWFBS-MRXNPFEDSA-N 2 2 390.984 3.675 20 0 GHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc(-c4ccccc4Cl)cs3)C2)CC1 ZINC000187002574 908018467 /nfs/dbraw/zinc/01/84/67/908018467.db2.gz MRVJLYQEMPWFBS-MRXNPFEDSA-N 2 2 390.984 3.675 20 0 GHADLP CC(C)[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC001177186626 908463813 /nfs/dbraw/zinc/46/38/13/908463813.db2.gz STMKCRKLUNKHMK-DEOSSOPVSA-N 2 2 382.548 3.927 20 0 GHADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3c(Cl)n[nH]c3C3CC3)cc2)C[C@H](C)O1 ZINC001177245515 908483326 /nfs/dbraw/zinc/48/33/26/908483326.db2.gz UKJDBRLPARLDJG-GJZGRUSLSA-N 2 2 388.943 3.840 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](c3ccccc3Cl)OC[C@@H]2C)CC1 ZINC000191491367 908631320 /nfs/dbraw/zinc/63/13/20/908631320.db2.gz MREFQKSNZXTWKM-GHTZIAJQSA-N 2 2 379.976 3.518 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](c3ccccc3Cl)OC[C@@H]2C)CC1 ZINC000191491367 908631327 /nfs/dbraw/zinc/63/13/27/908631327.db2.gz MREFQKSNZXTWKM-GHTZIAJQSA-N 2 2 379.976 3.518 20 0 GHADLP Cc1cc(Oc2cc(Cl)ccc2C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)ccc1F ZINC001178425934 909054511 /nfs/dbraw/zinc/05/45/11/909054511.db2.gz MSZIXSWZNVSEMI-HXUWFJFHSA-N 2 2 378.875 3.736 20 0 GHADLP Cc1cc(Oc2cc(Cl)ccc2C[NH2+]C[C@]2(O)CC[N@H+](C)C2)ccc1F ZINC001178425934 909054526 /nfs/dbraw/zinc/05/45/26/909054526.db2.gz MSZIXSWZNVSEMI-HXUWFJFHSA-N 2 2 378.875 3.736 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000635188131 909177042 /nfs/dbraw/zinc/17/70/42/909177042.db2.gz GMSNFAWWDVYQDV-DLBZAZTESA-N 2 2 382.430 3.576 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccsc1 ZINC000635279650 909202138 /nfs/dbraw/zinc/20/21/38/909202138.db2.gz PXQZZWBRCWVHQS-HUUCEWRRSA-N 2 2 388.459 3.637 20 0 GHADLP Cc1ccc([C@H](CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)[NH+]2CCCC2)cc1 ZINC000635452022 909254271 /nfs/dbraw/zinc/25/42/71/909254271.db2.gz BOIIZKSVAYEJLR-ZWKOTPCHSA-N 2 2 394.441 3.638 20 0 GHADLP Fc1cccc(/C=C/C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001179989788 909857309 /nfs/dbraw/zinc/85/73/09/909857309.db2.gz WMYRUJXRXHKAJK-SNXGKTBFSA-N 2 2 394.538 3.768 20 0 GHADLP Fc1cccc(/C=C/C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001179989788 909857323 /nfs/dbraw/zinc/85/73/23/909857323.db2.gz WMYRUJXRXHKAJK-SNXGKTBFSA-N 2 2 394.538 3.768 20 0 GHADLP C[NH+](C)CCCCCCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245805495 909933391 /nfs/dbraw/zinc/93/33/91/909933391.db2.gz PWFLLTWEXBTWCH-VQTJNVASSA-N 2 2 396.526 3.521 20 0 GHADLP C[NH+](C)CCCCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245805495 909933399 /nfs/dbraw/zinc/93/33/99/909933399.db2.gz PWFLLTWEXBTWCH-VQTJNVASSA-N 2 2 396.526 3.521 20 0 GHADLP COc1cc2c(cc1OC)[C@H]([N@H+](C)C1CC[NH+](CCc3ccccn3)CC1)CC2 ZINC000637983555 910019005 /nfs/dbraw/zinc/01/90/05/910019005.db2.gz PRWGUWDFKPCBCE-JOCHJYFZSA-N 2 2 395.547 3.725 20 0 GHADLP COc1cc2c(cc1OC)[C@H]([N@@H+](C)C1CC[NH+](CCc3ccccn3)CC1)CC2 ZINC000637983555 910019015 /nfs/dbraw/zinc/01/90/15/910019015.db2.gz PRWGUWDFKPCBCE-JOCHJYFZSA-N 2 2 395.547 3.725 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1)c1ccc(Cl)cc1 ZINC001274455720 910090101 /nfs/dbraw/zinc/09/01/01/910090101.db2.gz SXGMCNZOZFWBSC-SLFFLAALSA-N 2 2 375.944 3.561 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1)c1ccc(Cl)cc1 ZINC001274455720 910090116 /nfs/dbraw/zinc/09/01/16/910090116.db2.gz SXGMCNZOZFWBSC-SLFFLAALSA-N 2 2 375.944 3.561 20 0 GHADLP CCOCc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)ccc1OC ZINC000269126982 910151509 /nfs/dbraw/zinc/15/15/09/910151509.db2.gz HHONMEKRWRCZPM-UHFFFAOYSA-N 2 2 398.551 3.769 20 0 GHADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)nc(N2CCCC2)n1 ZINC000639218120 910354788 /nfs/dbraw/zinc/35/47/88/910354788.db2.gz AJUOUIXQUMSREP-NFBKMPQASA-N 2 2 391.563 3.843 20 0 GHADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)nc(N2CCCC2)n1 ZINC000639218120 910354804 /nfs/dbraw/zinc/35/48/04/910354804.db2.gz AJUOUIXQUMSREP-NFBKMPQASA-N 2 2 391.563 3.843 20 0 GHADLP Cc1[nH+]ccn1CCNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001180817411 910386359 /nfs/dbraw/zinc/38/63/59/910386359.db2.gz HQYJRSNFJCDPIW-UHFFFAOYSA-N 2 2 395.334 3.527 20 0 GHADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270381083 910543646 /nfs/dbraw/zinc/54/36/46/910543646.db2.gz WAYRJNCCNCMCKY-IBGZPJMESA-N 2 2 393.535 3.940 20 0 GHADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270381083 910543658 /nfs/dbraw/zinc/54/36/58/910543658.db2.gz WAYRJNCCNCMCKY-IBGZPJMESA-N 2 2 393.535 3.940 20 0 GHADLP CO[C@H](C)c1noc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000639724955 910635281 /nfs/dbraw/zinc/63/52/81/910635281.db2.gz DRSNIEIBVZSBLO-GOSISDBHSA-N 2 2 384.524 3.655 20 0 GHADLP C[N@@H+]1CCN(C(=O)C23CC(C2)CC[NH+]3Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC001181480164 910813145 /nfs/dbraw/zinc/81/31/45/910813145.db2.gz BHIBJOVOGNAAPM-LUQTXGNESA-N 2 2 389.543 3.556 20 0 GHADLP C[N@H+]1CCN(C(=O)C23CC(C2)CC[NH+]3Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC001181480164 910813155 /nfs/dbraw/zinc/81/31/55/910813155.db2.gz BHIBJOVOGNAAPM-LUQTXGNESA-N 2 2 389.543 3.556 20 0 GHADLP C[NH+]1CCN(C(=O)C23CC(C2)CC[N@@H+]3Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC001181480164 910813160 /nfs/dbraw/zinc/81/31/60/910813160.db2.gz BHIBJOVOGNAAPM-LUQTXGNESA-N 2 2 389.543 3.556 20 0 GHADLP C[NH+]1CCN(C(=O)C23CC(C2)CC[N@H+]3Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC001181480164 910813164 /nfs/dbraw/zinc/81/31/64/910813164.db2.gz BHIBJOVOGNAAPM-LUQTXGNESA-N 2 2 389.543 3.556 20 0 GHADLP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)C2)cc1 ZINC000247084013 910958913 /nfs/dbraw/zinc/95/89/13/910958913.db2.gz NQRZUBHSFIHUHG-SSPYTLHUSA-N 2 2 378.564 3.859 20 0 GHADLP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)C2)cc1 ZINC000247084013 910958926 /nfs/dbraw/zinc/95/89/26/910958926.db2.gz NQRZUBHSFIHUHG-SSPYTLHUSA-N 2 2 378.564 3.859 20 0 GHADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000271569051 910964367 /nfs/dbraw/zinc/96/43/67/910964367.db2.gz VJUYVXOKSNYQEE-JTHBVZDNSA-N 2 2 390.535 3.608 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000248135827 911752563 /nfs/dbraw/zinc/75/25/63/911752563.db2.gz PBASHRJRVZCDHM-YFXJRYMSSA-N 2 2 381.564 3.913 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000248135827 911752574 /nfs/dbraw/zinc/75/25/74/911752574.db2.gz PBASHRJRVZCDHM-YFXJRYMSSA-N 2 2 381.564 3.913 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC1CC1)c1ccc(Cl)cc1Cl ZINC001182559603 911869743 /nfs/dbraw/zinc/86/97/43/911869743.db2.gz SOAAHBMMSHKIRL-ROUUACIJSA-N 2 2 384.351 3.587 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC1CC1)c1ccc(Cl)cc1Cl ZINC001182559603 911869764 /nfs/dbraw/zinc/86/97/64/911869764.db2.gz SOAAHBMMSHKIRL-ROUUACIJSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000642343429 912003124 /nfs/dbraw/zinc/00/31/24/912003124.db2.gz RMPPGFCHOZHBFG-RISCZKNCSA-N 2 2 381.320 3.933 20 0 GHADLP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001186930743 914878575 /nfs/dbraw/zinc/87/85/75/914878575.db2.gz NQKOEADOXQWDPY-FQEVSTJZSA-N 2 2 391.506 3.618 20 0 GHADLP COc1ccccc1[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[NH+]1CCCC1 ZINC000291048948 914940581 /nfs/dbraw/zinc/94/05/81/914940581.db2.gz HXQHIZHMURUMNV-LJQANCHMSA-N 2 2 399.501 3.839 20 0 GHADLP COc1ncncc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000647184484 915075249 /nfs/dbraw/zinc/07/52/49/915075249.db2.gz JYYKTIZGISVAHS-MAUKXSAKSA-N 2 2 394.441 3.677 20 0 GHADLP COc1ncncc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000647184484 915075266 /nfs/dbraw/zinc/07/52/66/915075266.db2.gz JYYKTIZGISVAHS-MAUKXSAKSA-N 2 2 394.441 3.677 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000647249271 915106960 /nfs/dbraw/zinc/10/69/60/915106960.db2.gz OXWMGNSFSAKONP-HVHOJJEHSA-N 3 2 377.576 3.975 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000647249271 915106967 /nfs/dbraw/zinc/10/69/67/915106967.db2.gz OXWMGNSFSAKONP-HVHOJJEHSA-N 3 2 377.576 3.975 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000647249271 915106974 /nfs/dbraw/zinc/10/69/74/915106974.db2.gz OXWMGNSFSAKONP-HVHOJJEHSA-N 3 2 377.576 3.975 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000647249271 915106981 /nfs/dbraw/zinc/10/69/81/915106981.db2.gz OXWMGNSFSAKONP-HVHOJJEHSA-N 3 2 377.576 3.975 20 0 GHADLP OCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000647330410 915155807 /nfs/dbraw/zinc/15/58/07/915155807.db2.gz IPSSKMJJNGDJKC-SFHVURJKSA-N 2 2 395.425 3.662 20 0 GHADLP C[NH+](C)[C@@H]1CCCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000291573641 915257038 /nfs/dbraw/zinc/25/70/38/915257038.db2.gz WRUFZJUIDHKTEK-LJQANCHMSA-N 2 2 381.524 3.834 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc2ccccc2c1 ZINC000647901888 915432799 /nfs/dbraw/zinc/43/27/99/915432799.db2.gz XCBCFQRSLPWELL-HTUUBCJYSA-N 2 2 379.548 3.870 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc2ccccc2c1 ZINC000647901888 915432805 /nfs/dbraw/zinc/43/28/05/915432805.db2.gz XCBCFQRSLPWELL-HTUUBCJYSA-N 2 2 379.548 3.870 20 0 GHADLP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000292355953 915632992 /nfs/dbraw/zinc/63/29/92/915632992.db2.gz YLCVNDCSFKDECN-QPPBQGQZSA-N 2 2 398.522 3.915 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000648758396 915866771 /nfs/dbraw/zinc/86/67/71/915866771.db2.gz SDPCPUIGAZYGSG-KRWDZBQOSA-N 2 2 386.565 3.893 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@H+]1CCCn1cc[nH+]c1C ZINC000360665073 916259767 /nfs/dbraw/zinc/25/97/67/916259767.db2.gz VIHDMCWWHSWDLU-JOCHJYFZSA-N 2 2 393.535 3.517 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000360665073 916259776 /nfs/dbraw/zinc/25/97/76/916259776.db2.gz VIHDMCWWHSWDLU-JOCHJYFZSA-N 2 2 393.535 3.517 20 0 GHADLP CC[N@@H+](Cc1nc(-c2cc(C)ccn2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000294877030 917028138 /nfs/dbraw/zinc/02/81/38/917028138.db2.gz FGLBHGCAEHANGW-UHFFFAOYSA-N 2 2 392.507 3.574 20 0 GHADLP CC[N@H+](Cc1nc(-c2cc(C)ccn2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000294877030 917028151 /nfs/dbraw/zinc/02/81/51/917028151.db2.gz FGLBHGCAEHANGW-UHFFFAOYSA-N 2 2 392.507 3.574 20 0 GHADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000652970789 918069541 /nfs/dbraw/zinc/06/95/41/918069541.db2.gz GINYEGYVJHTDTA-LEWJYISDSA-N 2 2 397.567 3.514 20 0 GHADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000365591806 920984197 /nfs/dbraw/zinc/98/41/97/920984197.db2.gz ZOPWEQMCIZEYJJ-QFIPXVFZSA-N 2 2 388.515 3.573 20 0 GHADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000365591806 920984222 /nfs/dbraw/zinc/98/42/22/920984222.db2.gz ZOPWEQMCIZEYJJ-QFIPXVFZSA-N 2 2 388.515 3.573 20 0 GHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1-n1ccnn1 ZINC000367639412 922246850 /nfs/dbraw/zinc/24/68/50/922246850.db2.gz UXZRLFWIHSUCOL-OOHWJJMZSA-N 2 2 393.457 3.723 20 0 GHADLP COc1ccc2c(c1Cl)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCC2 ZINC000903098672 922770931 /nfs/dbraw/zinc/77/09/31/922770931.db2.gz SEJBBNLXSIBRHX-YJBOKZPZSA-N 2 2 378.944 3.817 20 0 GHADLP CC[NH+](CC)CCOc1cccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000903462349 923042619 /nfs/dbraw/zinc/04/26/19/923042619.db2.gz QZWBULJHGMLEPP-GOSISDBHSA-N 2 2 399.539 3.552 20 0 GHADLP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000903956141 923435034 /nfs/dbraw/zinc/43/50/34/923435034.db2.gz HUFOXNNYYFCCJW-MRXNPFEDSA-N 2 2 381.854 3.648 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(C)c1 ZINC000676755281 924063107 /nfs/dbraw/zinc/06/31/07/924063107.db2.gz JDGHGGDPRXQMSE-IRLDBZIGSA-N 2 2 395.551 3.511 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cnc4ccccc4c2)CC3)cn1 ZINC001137279670 924206954 /nfs/dbraw/zinc/20/69/54/924206954.db2.gz XULWWKMEWLFIFG-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cnc4ccccc4c2)CC3)cn1 ZINC001137279670 924206962 /nfs/dbraw/zinc/20/69/62/924206962.db2.gz XULWWKMEWLFIFG-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP CCCOc1c(Br)cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000370731615 924279330 /nfs/dbraw/zinc/27/93/30/924279330.db2.gz YMEBMPNCFMLCHZ-CYBMUJFWSA-N 2 2 394.313 3.617 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000677804581 924504594 /nfs/dbraw/zinc/50/45/94/924504594.db2.gz HDLCLMPXMJSFFP-RXVVDRJESA-N 2 2 375.520 3.971 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000677804581 924504600 /nfs/dbraw/zinc/50/46/00/924504600.db2.gz HDLCLMPXMJSFFP-RXVVDRJESA-N 2 2 375.520 3.971 20 0 GHADLP Fc1ccccc1[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000678235924 924680777 /nfs/dbraw/zinc/68/07/77/924680777.db2.gz PJLCVKVBYALMCI-QHCPKHFHSA-N 2 2 384.495 3.874 20 0 GHADLP Fc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000678235924 924680784 /nfs/dbraw/zinc/68/07/84/924680784.db2.gz PJLCVKVBYALMCI-QHCPKHFHSA-N 2 2 384.495 3.874 20 0 GHADLP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CCCc4ccc(Br)cc43)CC2)C1 ZINC000678311570 924719375 /nfs/dbraw/zinc/71/93/75/924719375.db2.gz HJFMQWFMGAYWEH-AZUAARDMSA-N 2 2 392.385 3.538 20 0 GHADLP C[N@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CCCc4ccc(Br)cc43)CC2)C1 ZINC000678311570 924719385 /nfs/dbraw/zinc/71/93/85/924719385.db2.gz HJFMQWFMGAYWEH-AZUAARDMSA-N 2 2 392.385 3.538 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1cccc(F)c1 ZINC000409528743 924731770 /nfs/dbraw/zinc/73/17/70/924731770.db2.gz IFPPUGJZEOIUOU-OALUTQOASA-N 2 2 377.891 3.501 20 0 GHADLP C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Cc1ccc(Cl)cc1 ZINC000678480879 924793022 /nfs/dbraw/zinc/79/30/22/924793022.db2.gz RUMXKQBUSOVZAD-LAUBAEHRSA-N 2 2 391.987 3.536 20 0 GHADLP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Cc1ccc(Cl)cc1 ZINC000678480879 924793031 /nfs/dbraw/zinc/79/30/31/924793031.db2.gz RUMXKQBUSOVZAD-LAUBAEHRSA-N 2 2 391.987 3.536 20 0 GHADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@@H]3CCOc4ccccc43)CCCC2)no1 ZINC000678931301 924976754 /nfs/dbraw/zinc/97/67/54/924976754.db2.gz YZZSLQSZGCHJCF-KRWDZBQOSA-N 2 2 384.524 3.837 20 0 GHADLP C[C@@H]([NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000679045812 925010892 /nfs/dbraw/zinc/01/08/92/925010892.db2.gz XOQHHCFJAIPWQQ-HYBUGGRVSA-N 2 2 390.531 3.550 20 0 GHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679116197 925033604 /nfs/dbraw/zinc/03/36/04/925033604.db2.gz OSMYABDEUYIFHY-OTWHNJEPSA-N 2 2 381.923 3.603 20 0 GHADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679116197 925033611 /nfs/dbraw/zinc/03/36/11/925033611.db2.gz OSMYABDEUYIFHY-OTWHNJEPSA-N 2 2 381.923 3.603 20 0 GHADLP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679116197 925033614 /nfs/dbraw/zinc/03/36/14/925033614.db2.gz OSMYABDEUYIFHY-OTWHNJEPSA-N 2 2 381.923 3.603 20 0 GHADLP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679116197 925033623 /nfs/dbraw/zinc/03/36/23/925033623.db2.gz OSMYABDEUYIFHY-OTWHNJEPSA-N 2 2 381.923 3.603 20 0 GHADLP C[C@H]([NH2+]Cc1cn2cc(Br)ccc2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401283 925468685 /nfs/dbraw/zinc/46/86/85/925468685.db2.gz NJAYXLLNYIHMCZ-LSDHHAIUSA-N 2 2 391.357 3.839 20 0 GHADLP C[C@H]([NH2+]Cc1cn2cc(Br)ccc2n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401283 925468688 /nfs/dbraw/zinc/46/86/88/925468688.db2.gz NJAYXLLNYIHMCZ-LSDHHAIUSA-N 2 2 391.357 3.839 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000681219525 925765151 /nfs/dbraw/zinc/76/51/51/925765151.db2.gz YDJPFKHCAMXWFI-HOTGVXAUSA-N 2 2 399.004 3.663 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000681219525 925765154 /nfs/dbraw/zinc/76/51/54/925765154.db2.gz YDJPFKHCAMXWFI-HOTGVXAUSA-N 2 2 399.004 3.663 20 0 GHADLP COCCn1cc2c(n1)[C@@H]([NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3C)cc1)CCC2 ZINC000373381060 926069689 /nfs/dbraw/zinc/06/96/89/926069689.db2.gz AIGOPKRIQNEICL-KKSFZXQISA-N 2 2 379.508 3.752 20 0 GHADLP CCCc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1Cl ZINC000682639138 926190087 /nfs/dbraw/zinc/19/00/87/926190087.db2.gz DFZGQYYBTQLDSP-LJQANCHMSA-N 2 2 377.960 3.533 20 0 GHADLP CCCc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1Cl ZINC000682639138 926190094 /nfs/dbraw/zinc/19/00/94/926190094.db2.gz DFZGQYYBTQLDSP-LJQANCHMSA-N 2 2 377.960 3.533 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000725852239 926468781 /nfs/dbraw/zinc/46/87/81/926468781.db2.gz VOFIRYLSULVSFQ-SFHVURJKSA-N 2 2 389.503 3.589 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412199078 927200824 /nfs/dbraw/zinc/20/08/24/927200824.db2.gz VNURTVMUXPRVBV-FQEVSTJZSA-N 2 2 380.536 3.501 20 0 GHADLP O[C@@H](COCc1ccccc1Cl)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543988280 928653459 /nfs/dbraw/zinc/65/34/59/928653459.db2.gz JAOUZJDPQPTNQI-HXUWFJFHSA-N 2 2 391.943 3.606 20 0 GHADLP COc1cc(Br)ccc1CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000544145895 928864793 /nfs/dbraw/zinc/86/47/93/928864793.db2.gz OBFUHQCZFMOJAH-UHFFFAOYSA-N 2 2 378.314 3.993 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccc(F)cc3)no2)[C@H](C)C1 ZINC000469766567 930147202 /nfs/dbraw/zinc/14/72/02/930147202.db2.gz CLMBCVAQAJNLJE-OXQOHEQNSA-N 2 2 375.488 3.707 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccc(F)cc3)no2)[C@H](C)C1 ZINC000469766567 930147203 /nfs/dbraw/zinc/14/72/03/930147203.db2.gz CLMBCVAQAJNLJE-OXQOHEQNSA-N 2 2 375.488 3.707 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccccc2C(C)(C)C)[C@H](C)C1 ZINC000469789737 930163800 /nfs/dbraw/zinc/16/38/00/930163800.db2.gz FXMPZZCKAWMRPT-QUCCMNQESA-N 2 2 389.584 3.649 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccccc2C(C)(C)C)[C@H](C)C1 ZINC000469789737 930163803 /nfs/dbraw/zinc/16/38/03/930163803.db2.gz FXMPZZCKAWMRPT-QUCCMNQESA-N 2 2 389.584 3.649 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C(=O)N1c1ccccc1 ZINC000781518407 930876590 /nfs/dbraw/zinc/87/65/90/930876590.db2.gz JYVWHFRPZODTKX-JPYJTQIMSA-N 2 2 392.547 3.505 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@@H](C2CC2)O1 ZINC000470927118 931038756 /nfs/dbraw/zinc/03/87/56/931038756.db2.gz WHMKZTRWNQZRHB-ZJYDQZTPSA-N 2 2 384.564 3.685 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@@H](C2CC2)O1 ZINC000470927118 931038768 /nfs/dbraw/zinc/03/87/68/931038768.db2.gz WHMKZTRWNQZRHB-ZJYDQZTPSA-N 2 2 384.564 3.685 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@@H](C2CC2)O1 ZINC000470927118 931038777 /nfs/dbraw/zinc/03/87/77/931038777.db2.gz WHMKZTRWNQZRHB-ZJYDQZTPSA-N 2 2 384.564 3.685 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@@H](C2CC2)O1 ZINC000470927118 931038791 /nfs/dbraw/zinc/03/87/91/931038791.db2.gz WHMKZTRWNQZRHB-ZJYDQZTPSA-N 2 2 384.564 3.685 20 0 GHADLP O[C@@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1cccc(Br)c1 ZINC000783029792 931389925 /nfs/dbraw/zinc/38/99/25/931389925.db2.gz GETGWRVAKGLNRK-IBGZPJMESA-N 2 2 392.341 3.871 20 0 GHADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1csc(C(F)(F)F)c1 ZINC000924809066 931546253 /nfs/dbraw/zinc/54/62/53/931546253.db2.gz YADJOEPATNNTFP-CYBMUJFWSA-N 2 2 384.471 3.765 20 0 GHADLP O=C(NCc1ccncc1)Nc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000925059231 931630272 /nfs/dbraw/zinc/63/02/72/931630272.db2.gz GWKQILLERQTCIN-VXKWHMMOSA-N 2 2 393.535 3.510 20 0 GHADLP O=C(NCc1ccncc1)Nc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000925059231 931630276 /nfs/dbraw/zinc/63/02/76/931630276.db2.gz GWKQILLERQTCIN-VXKWHMMOSA-N 2 2 393.535 3.510 20 0 GHADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+](Cc2ccccc2)[C@@H]2CCCC2(C)C)C1 ZINC000783992749 931742898 /nfs/dbraw/zinc/74/28/98/931742898.db2.gz ZVINQPSEXOOSCB-TZIWHRDSSA-N 2 2 380.536 3.774 20 0 GHADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+](Cc2ccccc2)[C@@H]2CCCC2(C)C)C1 ZINC000783992749 931742902 /nfs/dbraw/zinc/74/29/02/931742902.db2.gz ZVINQPSEXOOSCB-TZIWHRDSSA-N 2 2 380.536 3.774 20 0 GHADLP Cc1ccc([C@H]2CC(=O)N(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)C2)cc1 ZINC000783994195 931744937 /nfs/dbraw/zinc/74/49/37/931744937.db2.gz SETDVLGFKAONNT-QFIPXVFZSA-N 2 2 380.536 3.657 20 0 GHADLP C[NH+](C)CCOc1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)c2ccccn2)ccn1 ZINC000925654615 931865034 /nfs/dbraw/zinc/86/50/34/931865034.db2.gz SCEXPPIOKLFTLB-QFIPXVFZSA-N 2 2 396.922 3.950 20 0 GHADLP Brc1ccc([C@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)s1 ZINC000925789617 931904276 /nfs/dbraw/zinc/90/42/76/931904276.db2.gz AORUOJIWJDZWMS-XJKSGUPXSA-N 2 2 385.371 3.710 20 0 GHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000784518483 931922904 /nfs/dbraw/zinc/92/29/04/931922904.db2.gz UUNYAJUWXYMPKH-QGZVFWFLSA-N 2 2 393.322 3.975 20 0 GHADLP C[C@@H]1CC[N@H+](CCOc2ccc(NC3CCN(c4cccc[nH+]4)CC3)cc2)C1 ZINC000777584310 932013931 /nfs/dbraw/zinc/01/39/31/932013931.db2.gz XMKYXNORMQEWJV-LJQANCHMSA-N 2 2 380.536 3.883 20 0 GHADLP C[C@@H]1CC[N@@H+](CCOc2ccc(NC3CCN(c4cccc[nH+]4)CC3)cc2)C1 ZINC000777584310 932013937 /nfs/dbraw/zinc/01/39/37/932013937.db2.gz XMKYXNORMQEWJV-LJQANCHMSA-N 2 2 380.536 3.883 20 0 GHADLP Cc1cccc([C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2ccccn2)c1 ZINC000926126620 932057994 /nfs/dbraw/zinc/05/79/94/932057994.db2.gz RGPASHPVNUSGFZ-ZCYQVOJMSA-N 2 2 387.527 3.836 20 0 GHADLP Cc1cccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccn2)c1 ZINC000926126620 932057999 /nfs/dbraw/zinc/05/79/99/932057999.db2.gz RGPASHPVNUSGFZ-ZCYQVOJMSA-N 2 2 387.527 3.836 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCCC[N@@H+](C)Cc1ccccc1 ZINC000796762666 932058168 /nfs/dbraw/zinc/05/81/68/932058168.db2.gz RBSFKIWCKGNVFW-UHFFFAOYSA-N 2 2 387.430 3.688 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCCC[N@H+](C)Cc1ccccc1 ZINC000796762666 932058173 /nfs/dbraw/zinc/05/81/73/932058173.db2.gz RBSFKIWCKGNVFW-UHFFFAOYSA-N 2 2 387.430 3.688 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1cccc(Br)n1 ZINC000926581449 932234900 /nfs/dbraw/zinc/23/49/00/932234900.db2.gz OEXKCTNRPUOEQA-YEWWUXTCSA-N 2 2 375.314 3.583 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1cccc(Br)n1 ZINC000926581449 932234904 /nfs/dbraw/zinc/23/49/04/932234904.db2.gz OEXKCTNRPUOEQA-YEWWUXTCSA-N 2 2 375.314 3.583 20 0 GHADLP c1sc(Cc2ccccc2)nc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000558953644 932336060 /nfs/dbraw/zinc/33/60/60/932336060.db2.gz KDVIUOUGVIHONG-UHFFFAOYSA-N 2 2 385.577 3.668 20 0 GHADLP Brc1ccc(C2CC([NH2+]C[C@H]3CC[N@@H+]3C3CCOCC3)C2)cc1 ZINC000927106642 932414590 /nfs/dbraw/zinc/41/45/90/932414590.db2.gz RIZKFVODUWQOOO-GXOAENINSA-N 2 2 379.342 3.538 20 0 GHADLP Brc1ccc(C2CC([NH2+]C[C@H]3CC[N@H+]3C3CCOCC3)C2)cc1 ZINC000927106642 932414595 /nfs/dbraw/zinc/41/45/95/932414595.db2.gz RIZKFVODUWQOOO-GXOAENINSA-N 2 2 379.342 3.538 20 0 GHADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000559245240 932546409 /nfs/dbraw/zinc/54/64/09/932546409.db2.gz VVQMTJMEMQTLQI-SIKLNZKXSA-N 2 2 388.552 3.511 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000798271356 932584945 /nfs/dbraw/zinc/58/49/45/932584945.db2.gz KMTRWWBFOYBEAK-UHFFFAOYSA-N 2 2 393.494 3.640 20 0 GHADLP C[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1ccccc1 ZINC001115919051 933244425 /nfs/dbraw/zinc/24/44/25/933244425.db2.gz JSWJXPXCWJZJLC-NRFANRHFSA-N 2 2 385.939 3.725 20 0 GHADLP C[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1ccccc1 ZINC001115919051 933244436 /nfs/dbraw/zinc/24/44/36/933244436.db2.gz JSWJXPXCWJZJLC-NRFANRHFSA-N 2 2 385.939 3.725 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1)c1ccccc1 ZINC001116025995 933291739 /nfs/dbraw/zinc/29/17/39/933291739.db2.gz XFEFELUOXAEZNW-DHIUTWEWSA-N 2 2 394.563 3.635 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1)c1ccccc1 ZINC001116025995 933291745 /nfs/dbraw/zinc/29/17/45/933291745.db2.gz XFEFELUOXAEZNW-DHIUTWEWSA-N 2 2 394.563 3.635 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(OCC(F)F)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC001116507590 933599159 /nfs/dbraw/zinc/59/91/59/933599159.db2.gz SDRQZZFFEADROM-AEFFLSMTSA-N 2 2 375.463 3.868 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(OCC(F)F)ccn2)CC[N@H+]1Cc1ccccc1 ZINC001116507590 933599163 /nfs/dbraw/zinc/59/91/63/933599163.db2.gz SDRQZZFFEADROM-AEFFLSMTSA-N 2 2 375.463 3.868 20 0 GHADLP CC[N@@H+]1CCN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)[C@@H](C)C1 ZINC000561356992 934078425 /nfs/dbraw/zinc/07/84/25/934078425.db2.gz LXWSOWSHSBJBAF-INIZCTEOSA-N 2 2 395.576 3.950 20 0 GHADLP CC[N@H+]1CCN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)[C@@H](C)C1 ZINC000561356992 934078432 /nfs/dbraw/zinc/07/84/32/934078432.db2.gz LXWSOWSHSBJBAF-INIZCTEOSA-N 2 2 395.576 3.950 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3coc(C(C)(C)C)n3)C2)ccn1 ZINC000931092524 934373776 /nfs/dbraw/zinc/37/37/76/934373776.db2.gz CKOXDJZZMHLIDT-HXUWFJFHSA-N 2 2 386.540 3.861 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3coc(C(C)(C)C)n3)C2)ccn1 ZINC000931092524 934373787 /nfs/dbraw/zinc/37/37/87/934373787.db2.gz CKOXDJZZMHLIDT-HXUWFJFHSA-N 2 2 386.540 3.861 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3coc(C(C)(C)C)n3)C2)ccn1 ZINC000931092524 934373808 /nfs/dbraw/zinc/37/38/08/934373808.db2.gz CKOXDJZZMHLIDT-HXUWFJFHSA-N 2 2 386.540 3.861 20 0 GHADLP CC[N@H+](C[C@H](O)Cc1cccc(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000561866457 934519124 /nfs/dbraw/zinc/51/91/24/934519124.db2.gz YRPUBFHUIYWVKL-OAQYLSRUSA-N 2 2 387.955 3.877 20 0 GHADLP CC[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000561866457 934519128 /nfs/dbraw/zinc/51/91/28/934519128.db2.gz YRPUBFHUIYWVKL-OAQYLSRUSA-N 2 2 387.955 3.877 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000562047189 934657324 /nfs/dbraw/zinc/65/73/24/934657324.db2.gz PLOGTFCYIOTREO-FGZHOGPDSA-N 2 2 382.458 3.994 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000829661755 935841304 /nfs/dbraw/zinc/84/13/04/935841304.db2.gz JDLRJKXEWMHDFD-XLIONFOSSA-N 2 2 384.524 3.916 20 0 GHADLP COc1ccc(Br)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001137912225 935865720 /nfs/dbraw/zinc/86/57/20/935865720.db2.gz OTVCRWYGFFOKCY-INIZCTEOSA-N 2 2 377.282 3.814 20 0 GHADLP COc1ccc(Br)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001137912225 935865726 /nfs/dbraw/zinc/86/57/26/935865726.db2.gz OTVCRWYGFFOKCY-INIZCTEOSA-N 2 2 377.282 3.814 20 0 GHADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)ccc2Br)C1 ZINC001473994746 1074228987 /nfs/dbraw/zinc/22/89/87/1074228987.db2.gz CWMJXHCFQXHOQU-NSHDSACASA-N 2 2 376.136 3.643 20 0 GHADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)ccc2Br)C1 ZINC001473994746 1074228995 /nfs/dbraw/zinc/22/89/95/1074228995.db2.gz CWMJXHCFQXHOQU-NSHDSACASA-N 2 2 376.136 3.643 20 0 GHADLP CC(C)C[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468020363 1015152121 /nfs/dbraw/zinc/15/21/21/1015152121.db2.gz WWFOQBRKPRXTEP-TZIWHRDSSA-N 2 2 397.567 3.995 20 0 GHADLP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000468669504 1015889547 /nfs/dbraw/zinc/88/95/47/1015889547.db2.gz AEIOQXRFTDNNIG-OALUTQOASA-N 2 2 398.954 3.598 20 0 GHADLP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000468669504 1015889561 /nfs/dbraw/zinc/88/95/61/1015889561.db2.gz AEIOQXRFTDNNIG-OALUTQOASA-N 2 2 398.954 3.598 20 0 GHADLP CC(C)CNC(=O)c1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471007243 1016938122 /nfs/dbraw/zinc/93/81/22/1016938122.db2.gz POFVLCLTYRIMTI-PSWAGMNNSA-N 2 2 391.559 3.636 20 0 GHADLP CC(C)CNC(=O)c1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471007243 1016938133 /nfs/dbraw/zinc/93/81/33/1016938133.db2.gz POFVLCLTYRIMTI-PSWAGMNNSA-N 2 2 391.559 3.636 20 0 GHADLP CC(C)CNC(=O)c1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471007243 1016938139 /nfs/dbraw/zinc/93/81/39/1016938139.db2.gz POFVLCLTYRIMTI-PSWAGMNNSA-N 2 2 391.559 3.636 20 0 GHADLP CC(C)CNC(=O)c1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471007243 1016938143 /nfs/dbraw/zinc/93/81/43/1016938143.db2.gz POFVLCLTYRIMTI-PSWAGMNNSA-N 2 2 391.559 3.636 20 0 GHADLP O=C(/C=C/c1ccc(Cn2cc[nH+]c2)cc1)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221126024 1032297101 /nfs/dbraw/zinc/29/71/01/1032297101.db2.gz UNFWCGZHCNEECL-CMDGGOBGSA-N 2 2 392.547 3.621 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC001221196047 1032326124 /nfs/dbraw/zinc/32/61/24/1032326124.db2.gz LOXAOKIKAJYDQZ-NHCUHLMSSA-N 2 2 379.891 3.818 20 0 GHADLP Cc1cccc([C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2ccccn2)c1 ZINC000925652895 1017127484 /nfs/dbraw/zinc/12/74/84/1017127484.db2.gz IBUQRXJBSZQZGD-HSZRJFAPSA-N 2 2 376.504 3.605 20 0 GHADLP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000562768122 1018617050 /nfs/dbraw/zinc/61/70/50/1018617050.db2.gz FODHMIWVETXIHN-YADHBBJMSA-N 2 2 387.487 3.579 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)NC3CCC(C)CC3)C2)s1 ZINC000567994253 1019365330 /nfs/dbraw/zinc/36/53/30/1019365330.db2.gz HWKUXJYUGWITNF-CUYAVPTFSA-N 2 2 377.598 3.505 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)NC3CCC(C)CC3)C2)s1 ZINC000567994253 1019365344 /nfs/dbraw/zinc/36/53/44/1019365344.db2.gz HWKUXJYUGWITNF-CUYAVPTFSA-N 2 2 377.598 3.505 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)NC3CCC(C)CC3)C2)s1 ZINC000567994253 1019365360 /nfs/dbraw/zinc/36/53/60/1019365360.db2.gz HWKUXJYUGWITNF-CUYAVPTFSA-N 2 2 377.598 3.505 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)NC3CCC(C)CC3)C2)s1 ZINC000567994253 1019365372 /nfs/dbraw/zinc/36/53/72/1019365372.db2.gz HWKUXJYUGWITNF-CUYAVPTFSA-N 2 2 377.598 3.505 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(CC[NH+](C)C)cc2)c(C)c1 ZINC000570410353 1019598686 /nfs/dbraw/zinc/59/86/86/1019598686.db2.gz VWRZBNFPRDPFHJ-HSZRJFAPSA-N 2 2 390.531 3.775 20 0 GHADLP Cc1cc(C)c(CCNC(=O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c(C)c1 ZINC000577327151 1020170274 /nfs/dbraw/zinc/17/02/74/1020170274.db2.gz XYSYKIDCHZARIJ-UHFFFAOYSA-N 2 2 395.547 3.517 20 0 GHADLP COc1ccc2c(Cl)cc(Cl)nc2c1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001156184777 1032916138 /nfs/dbraw/zinc/91/61/38/1032916138.db2.gz BCVORYCDXMZSJU-UHFFFAOYSA-N 2 2 397.350 3.988 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000191510612 1020778341 /nfs/dbraw/zinc/77/83/41/1020778341.db2.gz YIOYTQQUDLGTOJ-UHFFFAOYSA-N 2 2 383.492 3.732 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000191510612 1020778349 /nfs/dbraw/zinc/77/83/49/1020778349.db2.gz YIOYTQQUDLGTOJ-UHFFFAOYSA-N 2 2 383.492 3.732 20 0 GHADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834508160 1021232838 /nfs/dbraw/zinc/23/28/38/1021232838.db2.gz IUZNPCARWGQBLN-ZWKOTPCHSA-N 2 2 376.545 3.530 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1nc(Br)cs1 ZINC000834733380 1021419690 /nfs/dbraw/zinc/41/96/90/1021419690.db2.gz GTDMQOOHRTVDMT-YPMHNXCESA-N 2 2 396.358 3.614 20 0 GHADLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(C(F)(F)F)cn1 ZINC000902790701 1021541153 /nfs/dbraw/zinc/54/11/53/1021541153.db2.gz RXZOBRWJOHNEGO-OXJNMPFZSA-N 2 2 392.469 3.740 20 0 GHADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(OC(F)F)c(O)c4)C[C@@H]3C2)cc1 ZINC001140626155 1022104370 /nfs/dbraw/zinc/10/43/70/1022104370.db2.gz QZCDFQFXGCMYNI-OALUTQOASA-N 2 2 388.458 3.866 20 0 GHADLP Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(C)c[nH+]1 ZINC000680224682 1022118005 /nfs/dbraw/zinc/11/80/05/1022118005.db2.gz WWDAPIRTSSXAQP-NJDAHSKKSA-N 2 2 378.520 3.543 20 0 GHADLP Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(C)c[nH+]1 ZINC000680224682 1022118015 /nfs/dbraw/zinc/11/80/15/1022118015.db2.gz WWDAPIRTSSXAQP-NJDAHSKKSA-N 2 2 378.520 3.543 20 0 GHADLP FC1(F)CCN(Cc2c[nH]c3cc[nH+]cc23)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001140803059 1022573535 /nfs/dbraw/zinc/57/35/35/1022573535.db2.gz IFDNECKIOULUIO-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CCN(Cc2c[nH]c3cc[nH+]cc23)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001140803059 1022573538 /nfs/dbraw/zinc/57/35/38/1022573538.db2.gz IFDNECKIOULUIO-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001140803473 1022574623 /nfs/dbraw/zinc/57/46/23/1022574623.db2.gz QXDQQWBWGTWWTR-NZQKXSOJSA-N 2 2 392.503 3.546 20 0 GHADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1csc2ccccc21 ZINC000754737120 1022869394 /nfs/dbraw/zinc/86/93/94/1022869394.db2.gz XCFRSBTYJUTZFX-MRXNPFEDSA-N 2 2 399.585 3.958 20 0 GHADLP CN(C(=O)NC/C=C\c1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755059336 1023053415 /nfs/dbraw/zinc/05/34/15/1023053415.db2.gz LLWPBBWEJOWRSX-GOEPZMAHSA-N 2 2 398.595 3.678 20 0 GHADLP CN(C(=O)NC/C=C\c1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755059336 1023053425 /nfs/dbraw/zinc/05/34/25/1023053425.db2.gz LLWPBBWEJOWRSX-GOEPZMAHSA-N 2 2 398.595 3.678 20 0 GHADLP COc1ccc(/C=C/C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000755214679 1023132196 /nfs/dbraw/zinc/13/21/96/1023132196.db2.gz VALLTOZUXHBJHO-MBNXQSCSSA-N 2 2 399.579 3.504 20 0 GHADLP COc1ccc(/C=C/C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000755214679 1023132206 /nfs/dbraw/zinc/13/22/06/1023132206.db2.gz VALLTOZUXHBJHO-MBNXQSCSSA-N 2 2 399.579 3.504 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3[nH]c(-c4ccc(Cl)cc4)nc3=S)C2)CC1 ZINC000755781341 1023374789 /nfs/dbraw/zinc/37/47/89/1023374789.db2.gz UYWHGEHAYIMMBS-MRXNPFEDSA-N 2 2 391.972 3.882 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3[nH]c(-c4ccc(Cl)cc4)nc3=S)C2)CC1 ZINC000755781341 1023374800 /nfs/dbraw/zinc/37/48/00/1023374800.db2.gz UYWHGEHAYIMMBS-MRXNPFEDSA-N 2 2 391.972 3.882 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3[nH]c(-c4cc(F)cc(F)c4)nc3=S)C2)CC1 ZINC000755780624 1023374912 /nfs/dbraw/zinc/37/49/12/1023374912.db2.gz OZUVIYRXSLELEN-CQSZACIVSA-N 2 2 393.507 3.507 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3[nH]c(-c4cc(F)cc(F)c4)nc3=S)C2)CC1 ZINC000755780624 1023374919 /nfs/dbraw/zinc/37/49/19/1023374919.db2.gz OZUVIYRXSLELEN-CQSZACIVSA-N 2 2 393.507 3.507 20 0 GHADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cnccc1-c1cccc(Br)c1)C2 ZINC001138076069 1024004890 /nfs/dbraw/zinc/00/48/90/1024004890.db2.gz OPBNZDIBWLTHIT-YLJYHZDGSA-N 2 2 386.337 3.895 20 0 GHADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cnccc1-c1cccc(Br)c1)C2 ZINC001138076069 1024004910 /nfs/dbraw/zinc/00/49/10/1024004910.db2.gz OPBNZDIBWLTHIT-YLJYHZDGSA-N 2 2 386.337 3.895 20 0 GHADLP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1F ZINC001141221800 1024180612 /nfs/dbraw/zinc/18/06/12/1024180612.db2.gz YKRINTUJKFJYGV-WMQCIHAUSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1F ZINC001141221800 1024180615 /nfs/dbraw/zinc/18/06/15/1024180615.db2.gz YKRINTUJKFJYGV-WMQCIHAUSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1F ZINC001141221800 1024180627 /nfs/dbraw/zinc/18/06/27/1024180627.db2.gz YKRINTUJKFJYGV-WMQCIHAUSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1F ZINC001141221800 1024180629 /nfs/dbraw/zinc/18/06/29/1024180629.db2.gz YKRINTUJKFJYGV-WMQCIHAUSA-N 2 2 383.511 3.962 20 0 GHADLP CCC[NH+](CCC)CCN1CC[NH+](Cc2ccc(N3CCCCC3)o2)CC1 ZINC001138177003 1024309004 /nfs/dbraw/zinc/30/90/04/1024309004.db2.gz CDXFTJGFPUEVKB-UHFFFAOYSA-N 2 2 376.589 3.510 20 0 GHADLP CCCc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)OCC)C3)CC2)s1 ZINC001138525681 1024964701 /nfs/dbraw/zinc/96/47/01/1024964701.db2.gz IXWDEPIZGAGOQM-QGZVFWFLSA-N 2 2 378.582 3.940 20 0 GHADLP CCCc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)OCC)C3)CC2)s1 ZINC001138525681 1024964705 /nfs/dbraw/zinc/96/47/05/1024964705.db2.gz IXWDEPIZGAGOQM-QGZVFWFLSA-N 2 2 378.582 3.940 20 0 GHADLP Fc1ccc(Cl)c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001138672743 1025197042 /nfs/dbraw/zinc/19/70/42/1025197042.db2.gz OHFLKNSDKPXRJR-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1ccc(Cl)c(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001138672743 1025197043 /nfs/dbraw/zinc/19/70/43/1025197043.db2.gz OHFLKNSDKPXRJR-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1ccc(Cl)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001138672743 1025197046 /nfs/dbraw/zinc/19/70/46/1025197046.db2.gz OHFLKNSDKPXRJR-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1ccc(Cl)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001138672743 1025197048 /nfs/dbraw/zinc/19/70/48/1025197048.db2.gz OHFLKNSDKPXRJR-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4ccc(F)c(C)c4)CC[C@@H]3C2)cs1 ZINC001205186793 1033290232 /nfs/dbraw/zinc/29/02/32/1033290232.db2.gz BRZUXGNHJMAYER-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4ccc(F)c(C)c4)CC[C@@H]3C2)cs1 ZINC001205186793 1033290243 /nfs/dbraw/zinc/29/02/43/1033290243.db2.gz BRZUXGNHJMAYER-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4ccc(F)c(C)c4)CC[C@@H]3C2)cs1 ZINC001205186793 1033290253 /nfs/dbraw/zinc/29/02/53/1033290253.db2.gz BRZUXGNHJMAYER-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4ccc(F)c(C)c4)CC[C@@H]3C2)cs1 ZINC001205186793 1033290261 /nfs/dbraw/zinc/29/02/61/1033290261.db2.gz BRZUXGNHJMAYER-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cn(-c4ccc(F)cc4)nn3)cc2)CC1 ZINC001461021437 1069342251 /nfs/dbraw/zinc/34/22/51/1069342251.db2.gz JHLGILHZSJJMGV-UHFFFAOYSA-N 2 2 393.510 3.928 20 0 GHADLP CCCOc1ccccc1C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001138996689 1025740866 /nfs/dbraw/zinc/74/08/66/1025740866.db2.gz NAUIEZIVOIMHTE-UHFFFAOYSA-N 2 2 382.552 3.840 20 0 GHADLP CCCOc1ccccc1C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001138996689 1025740877 /nfs/dbraw/zinc/74/08/77/1025740877.db2.gz NAUIEZIVOIMHTE-UHFFFAOYSA-N 2 2 382.552 3.840 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc3cc(Br)ccc3[nH]1)CC2 ZINC001139184047 1026017717 /nfs/dbraw/zinc/01/77/17/1026017717.db2.gz HLTQOMSAOPUJPR-UHFFFAOYSA-N 2 2 391.313 3.560 20 0 GHADLP c1cn(-c2ccc(C[N@@H+]3CCc4ncnc(-c5ccccc5)c4CC3)cc2)c[nH+]1 ZINC001139359919 1026232176 /nfs/dbraw/zinc/23/21/76/1026232176.db2.gz NNTOJGIENNVUQS-UHFFFAOYSA-N 2 2 381.483 3.930 20 0 GHADLP c1cn(-c2ccc(C[N@H+]3CCc4ncnc(-c5ccccc5)c4CC3)cc2)c[nH+]1 ZINC001139359919 1026232194 /nfs/dbraw/zinc/23/21/94/1026232194.db2.gz NNTOJGIENNVUQS-UHFFFAOYSA-N 2 2 381.483 3.930 20 0 GHADLP FC(F)(F)c1nc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)no1 ZINC001139360162 1026233769 /nfs/dbraw/zinc/23/37/69/1026233769.db2.gz IUPLUAZHLZLETK-UHFFFAOYSA-N 2 2 377.370 3.654 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3cccn3Cc3cnc(Cl)s3)CC2)cc[nH+]1 ZINC001139369217 1026243993 /nfs/dbraw/zinc/24/39/93/1026243993.db2.gz QRUUSBAUYYRNNJ-UHFFFAOYSA-N 2 2 387.940 3.672 20 0 GHADLP C[C@@H]1CN(c2ccc(C[N@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)cn2)C[C@@H](C)O1 ZINC001139390245 1026257206 /nfs/dbraw/zinc/25/72/06/1026257206.db2.gz OILDRXRVINHAHF-RTBURBONSA-N 2 2 391.519 3.513 20 0 GHADLP C[C@@H]1CN(c2ccc(C[N@@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)cn2)C[C@@H](C)O1 ZINC001139390245 1026257214 /nfs/dbraw/zinc/25/72/14/1026257214.db2.gz OILDRXRVINHAHF-RTBURBONSA-N 2 2 391.519 3.513 20 0 GHADLP CCOc1ccncc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001139629199 1026495523 /nfs/dbraw/zinc/49/55/23/1026495523.db2.gz BXGPUZQMZSUKPH-BWAGFHJFSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ccncc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001139629199 1026495529 /nfs/dbraw/zinc/49/55/29/1026495529.db2.gz BXGPUZQMZSUKPH-BWAGFHJFSA-N 2 2 380.536 3.608 20 0 GHADLP CC[N@H+](CCC[NH+](C)C)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001139657194 1026518687 /nfs/dbraw/zinc/51/86/87/1026518687.db2.gz WJBWQHCQQCSSRZ-UHFFFAOYSA-N 2 2 381.586 3.815 20 0 GHADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001139657194 1026518695 /nfs/dbraw/zinc/51/86/95/1026518695.db2.gz WJBWQHCQQCSSRZ-UHFFFAOYSA-N 2 2 381.586 3.815 20 0 GHADLP Cn1c(=O)cc(C[NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)c2ccccc21 ZINC001139760436 1026598316 /nfs/dbraw/zinc/59/83/16/1026598316.db2.gz IIFVEEYWPIJZEG-UHFFFAOYSA-N 2 2 393.506 3.774 20 0 GHADLP Cn1c(=O)cc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)c2ccccc21 ZINC001139760436 1026598323 /nfs/dbraw/zinc/59/83/23/1026598323.db2.gz IIFVEEYWPIJZEG-UHFFFAOYSA-N 2 2 393.506 3.774 20 0 GHADLP Fc1ccccc1[C@H]1CC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001139763719 1026601051 /nfs/dbraw/zinc/60/10/51/1026601051.db2.gz UASSQCDRUAMCKF-FQEVSTJZSA-N 2 2 384.495 3.526 20 0 GHADLP Fc1ccccc1[C@H]1CC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001139763719 1026601055 /nfs/dbraw/zinc/60/10/55/1026601055.db2.gz UASSQCDRUAMCKF-FQEVSTJZSA-N 2 2 384.495 3.526 20 0 GHADLP C[N@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)C12CC3CC(CC(C3)C1)C2 ZINC001139766556 1026603046 /nfs/dbraw/zinc/60/30/46/1026603046.db2.gz KGTBXFLJRYAQPN-UHFFFAOYSA-N 2 2 384.564 3.798 20 0 GHADLP C[N@@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)C12CC3CC(CC(C3)C1)C2 ZINC001139766556 1026603054 /nfs/dbraw/zinc/60/30/54/1026603054.db2.gz KGTBXFLJRYAQPN-UHFFFAOYSA-N 2 2 384.564 3.798 20 0 GHADLP Fc1ccc(C[C@H]2CCC[N@@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001139766961 1026604479 /nfs/dbraw/zinc/60/44/79/1026604479.db2.gz ZYDHAQKHHVEYNI-HSZRJFAPSA-N 2 2 398.522 3.744 20 0 GHADLP Fc1ccc(C[C@H]2CCC[N@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001139766961 1026604488 /nfs/dbraw/zinc/60/44/88/1026604488.db2.gz ZYDHAQKHHVEYNI-HSZRJFAPSA-N 2 2 398.522 3.744 20 0 GHADLP Cc1c[nH+]c(N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)c(C)c1 ZINC001165320579 1026703930 /nfs/dbraw/zinc/70/39/30/1026703930.db2.gz XZFIVNAFIWWJAS-OAHLLOKOSA-N 2 2 387.281 3.687 20 0 GHADLP Cc1[nH+]c2c(n1-c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)CC[NH2+]CC2 ZINC001165355254 1026712039 /nfs/dbraw/zinc/71/20/39/1026712039.db2.gz CZDDZLCEDGGPTD-UHFFFAOYSA-N 2 2 381.483 3.993 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001140020749 1026804051 /nfs/dbraw/zinc/80/40/51/1026804051.db2.gz CBXZAXGAHSYXIL-MJGOQNOKSA-N 2 2 382.508 3.622 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001140020749 1026804054 /nfs/dbraw/zinc/80/40/54/1026804054.db2.gz CBXZAXGAHSYXIL-MJGOQNOKSA-N 2 2 382.508 3.622 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001140021204 1026804855 /nfs/dbraw/zinc/80/48/55/1026804855.db2.gz JXZWNZLBOOZVKM-AZUAARDMSA-N 2 2 382.508 3.622 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001140021204 1026804861 /nfs/dbraw/zinc/80/48/61/1026804861.db2.gz JXZWNZLBOOZVKM-AZUAARDMSA-N 2 2 382.508 3.622 20 0 GHADLP Cc1nc(Nc2ccc(C[NH+]3CCCC3)cc2)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001203785777 1027603940 /nfs/dbraw/zinc/60/39/40/1027603940.db2.gz IKJSPKYPHLFGGF-CALCHBBNSA-N 2 2 381.524 3.738 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4cccc(Cl)c4)CC[C@@H]3C2)cs1 ZINC001203800749 1027615347 /nfs/dbraw/zinc/61/53/47/1027615347.db2.gz WNSYHHKKQOMYGQ-YLJYHZDGSA-N 2 2 391.968 3.828 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4cccc(Cl)c4)CC[C@@H]3C2)cs1 ZINC001203800749 1027615357 /nfs/dbraw/zinc/61/53/57/1027615357.db2.gz WNSYHHKKQOMYGQ-YLJYHZDGSA-N 2 2 391.968 3.828 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4cccc(Cl)c4)CC[C@@H]3C2)cs1 ZINC001203800749 1027615366 /nfs/dbraw/zinc/61/53/66/1027615366.db2.gz WNSYHHKKQOMYGQ-YLJYHZDGSA-N 2 2 391.968 3.828 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4cccc(Cl)c4)CC[C@@H]3C2)cs1 ZINC001203800749 1027615375 /nfs/dbraw/zinc/61/53/75/1027615375.db2.gz WNSYHHKKQOMYGQ-YLJYHZDGSA-N 2 2 391.968 3.828 20 0 GHADLP COc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc(OC)c1OC ZINC001203844605 1027650538 /nfs/dbraw/zinc/65/05/38/1027650538.db2.gz XGBNQPVQAXAUQN-OYRHEFFESA-N 2 2 396.531 3.585 20 0 GHADLP COc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc(OC)c1OC ZINC001203844605 1027650544 /nfs/dbraw/zinc/65/05/44/1027650544.db2.gz XGBNQPVQAXAUQN-OYRHEFFESA-N 2 2 396.531 3.585 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)cc(OC)c1OC ZINC001203844605 1027650555 /nfs/dbraw/zinc/65/05/55/1027650555.db2.gz XGBNQPVQAXAUQN-OYRHEFFESA-N 2 2 396.531 3.585 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)cc(OC)c1OC ZINC001203844605 1027650569 /nfs/dbraw/zinc/65/05/69/1027650569.db2.gz XGBNQPVQAXAUQN-OYRHEFFESA-N 2 2 396.531 3.585 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4c[nH]c5ccccc45)CC[C@@H]3C2)cs1 ZINC001204043759 1027831751 /nfs/dbraw/zinc/83/17/51/1027831751.db2.gz FGWAAAKGSXJLBB-VGOFRKELSA-N 2 2 396.560 3.656 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4c[nH]c5ccccc45)CC[C@@H]3C2)cs1 ZINC001204043759 1027831772 /nfs/dbraw/zinc/83/17/72/1027831772.db2.gz FGWAAAKGSXJLBB-VGOFRKELSA-N 2 2 396.560 3.656 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4c[nH]c5ccccc45)CC[C@@H]3C2)cs1 ZINC001204043759 1027831794 /nfs/dbraw/zinc/83/17/94/1027831794.db2.gz FGWAAAKGSXJLBB-VGOFRKELSA-N 2 2 396.560 3.656 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4c[nH]c5ccccc45)CC[C@@H]3C2)cs1 ZINC001204043759 1027831816 /nfs/dbraw/zinc/83/18/16/1027831816.db2.gz FGWAAAKGSXJLBB-VGOFRKELSA-N 2 2 396.560 3.656 20 0 GHADLP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC001213076274 1027987933 /nfs/dbraw/zinc/98/79/33/1027987933.db2.gz OJEUZZVBXSZENF-UHFFFAOYSA-N 2 2 377.448 3.780 20 0 GHADLP COc1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1OCC(C)C ZINC001461357261 1069516826 /nfs/dbraw/zinc/51/68/26/1069516826.db2.gz QFMAEESPBVRZBP-HXUWFJFHSA-N 2 2 398.551 3.877 20 0 GHADLP C[C@@H]1CC[C@](C)(/C=C\C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000841388510 1028555659 /nfs/dbraw/zinc/55/56/59/1028555659.db2.gz XAPBDVIWLQIOKO-XVYIUSBGSA-N 2 2 375.601 3.680 20 0 GHADLP CSc1ccc(C(=O)N[C@@]23CC[C@@]([NH2+]CCn4cc[nH+]c4)(C2)CCC3)s1 ZINC001276733322 1029487446 /nfs/dbraw/zinc/48/74/46/1029487446.db2.gz MPCYTRHKTLWUTB-MOPGFXCFSA-N 2 2 390.578 3.532 20 0 GHADLP COc1cc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(Br)cc1O ZINC001222167598 1029985850 /nfs/dbraw/zinc/98/58/50/1029985850.db2.gz OWKGDBZRCQZYTJ-IBGZPJMESA-N 2 2 397.357 3.909 20 0 GHADLP COc1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(Br)cc1O ZINC001222167598 1029985859 /nfs/dbraw/zinc/98/58/59/1029985859.db2.gz OWKGDBZRCQZYTJ-IBGZPJMESA-N 2 2 397.357 3.909 20 0 GHADLP Fc1cc(Br)c(C(F)(F)F)cc1C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001222208509 1030004713 /nfs/dbraw/zinc/00/47/13/1030004713.db2.gz OMOUXAGUJXXZAB-UHFFFAOYSA-N 2 2 381.211 3.792 20 0 GHADLP Clc1ccc(Br)c(C[NH+]2CCC3(CC2)C[NH2+]CCO3)c1Cl ZINC001222211565 1030008680 /nfs/dbraw/zinc/00/86/80/1030008680.db2.gz MSERKHQHXILYDR-UHFFFAOYSA-N 2 2 394.140 3.710 20 0 GHADLP CCOc1ccncc1C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222582576 1030209824 /nfs/dbraw/zinc/20/98/24/1030209824.db2.gz CYKGVIDMNGFTME-JOCHJYFZSA-N 2 2 395.547 3.784 20 0 GHADLP CCOc1ccncc1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222582576 1030209843 /nfs/dbraw/zinc/20/98/43/1030209843.db2.gz CYKGVIDMNGFTME-JOCHJYFZSA-N 2 2 395.547 3.784 20 0 GHADLP c1c(-c2ccccc2)nc(OC2C[NH+](Cc3ccccc3)C2)n1C1CC[NH2+]CC1 ZINC001218042277 1030738386 /nfs/dbraw/zinc/73/83/86/1030738386.db2.gz MPAVGYHVVBXOPJ-UHFFFAOYSA-N 2 2 388.515 3.738 20 0 GHADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC001206640944 1030883716 /nfs/dbraw/zinc/88/37/16/1030883716.db2.gz PWZAPULEQWVWKW-GFCCVEGCSA-N 2 2 381.236 3.909 20 0 GHADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC001206640944 1030883735 /nfs/dbraw/zinc/88/37/35/1030883735.db2.gz PWZAPULEQWVWKW-GFCCVEGCSA-N 2 2 381.236 3.909 20 0 GHADLP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC001151734218 1030987073 /nfs/dbraw/zinc/98/70/73/1030987073.db2.gz XFUWOYHRKWPOGR-FBBABVLZSA-N 2 2 388.600 3.616 20 0 GHADLP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC001151734218 1030987079 /nfs/dbraw/zinc/98/70/79/1030987079.db2.gz XFUWOYHRKWPOGR-FBBABVLZSA-N 2 2 388.600 3.616 20 0 GHADLP CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)c1cccc([C@H]2CCC[NH2+]2)c1 ZINC001218797640 1031084513 /nfs/dbraw/zinc/08/45/13/1031084513.db2.gz IKXXUCYECWOGFP-QGZVFWFLSA-N 2 2 391.475 3.515 20 0 GHADLP O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001218846865 1031112845 /nfs/dbraw/zinc/11/28/45/1031112845.db2.gz BEEYFHROJMFESF-XMMPIXPASA-N 2 2 383.495 3.855 20 0 GHADLP O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001218846865 1031112853 /nfs/dbraw/zinc/11/28/53/1031112853.db2.gz BEEYFHROJMFESF-XMMPIXPASA-N 2 2 383.495 3.855 20 0 GHADLP O=C(c1c[nH]c2cc[nH+]cc21)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001152976664 1031415223 /nfs/dbraw/zinc/41/52/23/1031415223.db2.gz WZAJNSLXUKAUHF-JOCHJYFZSA-N 2 2 378.451 3.583 20 0 GHADLP O=C(c1c[nH]c2cc[nH+]cc21)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001152976664 1031415238 /nfs/dbraw/zinc/41/52/38/1031415238.db2.gz WZAJNSLXUKAUHF-JOCHJYFZSA-N 2 2 378.451 3.583 20 0 GHADLP C[C@@H]1[C@@H](NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001220195350 1031831253 /nfs/dbraw/zinc/83/12/53/1031831253.db2.gz YOSUGXIRHLCXTR-NQIIRXRSSA-N 2 2 393.535 3.856 20 0 GHADLP C[C@@H]1[C@@H](NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001220195350 1031831274 /nfs/dbraw/zinc/83/12/74/1031831274.db2.gz YOSUGXIRHLCXTR-NQIIRXRSSA-N 2 2 393.535 3.856 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC001220529630 1031978118 /nfs/dbraw/zinc/97/81/18/1031978118.db2.gz GYHQMJUVJDUWEL-KSSFIOAISA-N 2 2 398.378 3.882 20 0 GHADLP Nc1[nH]c2cc(C(=O)Nc3ccc4c(c3)CC[C@H]([NH+]3CCCC3)CC4)ccc2[nH+]1 ZINC001156974898 1033350338 /nfs/dbraw/zinc/35/03/38/1033350338.db2.gz BLZGMHCLJGFXQU-LJQANCHMSA-N 2 2 389.503 3.741 20 0 GHADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc(C(F)(F)F)nc4)C[C@@H]3C2)cc1 ZINC001205370462 1033379940 /nfs/dbraw/zinc/37/99/40/1033379940.db2.gz IJSDKMKXXQQTQY-KDURUIRLSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(C(F)(F)F)nc4)C[C@@H]3C2)cc1 ZINC001205370462 1033379952 /nfs/dbraw/zinc/37/99/52/1033379952.db2.gz IJSDKMKXXQQTQY-KDURUIRLSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(C(F)(F)F)nc4)C[C@@H]3C2)cc1 ZINC001205370462 1033379965 /nfs/dbraw/zinc/37/99/65/1033379965.db2.gz IJSDKMKXXQQTQY-KDURUIRLSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc(C(F)(F)F)nc4)C[C@@H]3C2)cc1 ZINC001205370462 1033379979 /nfs/dbraw/zinc/37/99/79/1033379979.db2.gz IJSDKMKXXQQTQY-KDURUIRLSA-N 2 2 375.438 3.973 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@H]3C)c2n1 ZINC001205916952 1033634559 /nfs/dbraw/zinc/63/45/59/1033634559.db2.gz WYUKHQIFKOFFHC-OLZOCXBDSA-N 2 2 378.314 3.565 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@H+]3CCC[C@@H](C[NH3+])[C@H]3C)c2n1 ZINC001205916952 1033634566 /nfs/dbraw/zinc/63/45/66/1033634566.db2.gz WYUKHQIFKOFFHC-OLZOCXBDSA-N 2 2 378.314 3.565 20 0 GHADLP C[NH+]1CCN(C(=[NH2+])Nc2nc(Cl)nc3sc(-c4ccccc4)cc32)CC1 ZINC001157914943 1033823093 /nfs/dbraw/zinc/82/30/93/1033823093.db2.gz IMOYZPWZTMGZNM-UHFFFAOYSA-N 2 2 386.912 3.606 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC001206526047 1033890565 /nfs/dbraw/zinc/89/05/65/1033890565.db2.gz HOHUUVIBOBFSRM-UHFFFAOYSA-N 2 2 396.531 3.669 20 0 GHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001158147834 1033935878 /nfs/dbraw/zinc/93/58/78/1033935878.db2.gz KIKHHDUVQFQZCN-KVDJPYICSA-N 2 2 397.494 3.992 20 0 GHADLP Fc1cc(C[NH+]2CCOCC2)ccc1-c1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001206703649 1033951064 /nfs/dbraw/zinc/95/10/64/1033951064.db2.gz OGIAFUGSAUYZHV-UHFFFAOYSA-N 2 2 380.507 3.892 20 0 GHADLP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC001206769018 1033976036 /nfs/dbraw/zinc/97/60/36/1033976036.db2.gz MJSPOOZSHAJSBP-GHMZBOCLSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC001206769018 1033976041 /nfs/dbraw/zinc/97/60/41/1033976041.db2.gz MJSPOOZSHAJSBP-GHMZBOCLSA-N 2 2 381.236 3.907 20 0 GHADLP COc1cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc2ccccc21 ZINC001206848215 1034033457 /nfs/dbraw/zinc/03/34/57/1034033457.db2.gz ZOXZJBCUYWNNLU-VWLOTQADSA-N 2 2 390.527 3.917 20 0 GHADLP COc1cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc2ccccc21 ZINC001206848215 1034033463 /nfs/dbraw/zinc/03/34/63/1034033463.db2.gz ZOXZJBCUYWNNLU-VWLOTQADSA-N 2 2 390.527 3.917 20 0 GHADLP COc1cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc2ccccc21 ZINC001206848215 1034033470 /nfs/dbraw/zinc/03/34/70/1034033470.db2.gz ZOXZJBCUYWNNLU-VWLOTQADSA-N 2 2 390.527 3.917 20 0 GHADLP COc1cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc2ccccc21 ZINC001206848215 1034033478 /nfs/dbraw/zinc/03/34/78/1034033478.db2.gz ZOXZJBCUYWNNLU-VWLOTQADSA-N 2 2 390.527 3.917 20 0 GHADLP CC(C)(C)OC(=O)NCC1CC([NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001207185164 1034154695 /nfs/dbraw/zinc/15/46/95/1034154695.db2.gz NFBYQPAFXDYJDL-CBNMVNINSA-N 2 2 387.568 3.934 20 0 GHADLP CC(C)(C)OC(=O)NCC1CC([NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001207185164 1034154706 /nfs/dbraw/zinc/15/47/06/1034154706.db2.gz NFBYQPAFXDYJDL-CBNMVNINSA-N 2 2 387.568 3.934 20 0 GHADLP Clc1ccc([C@H]2C[C@H]2C[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001207188073 1034159708 /nfs/dbraw/zinc/15/97/08/1034159708.db2.gz SNLSXAIISJBJJH-AZUAARDMSA-N 2 2 399.970 3.579 20 0 GHADLP Clc1ccc([C@H]2C[C@H]2C[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001207188073 1034159714 /nfs/dbraw/zinc/15/97/14/1034159714.db2.gz SNLSXAIISJBJJH-AZUAARDMSA-N 2 2 399.970 3.579 20 0 GHADLP Fc1ccc(CC[N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)cc1 ZINC001207513724 1034419240 /nfs/dbraw/zinc/41/92/40/1034419240.db2.gz OFVGGDPCOSZJGZ-OAQYLSRUSA-N 2 2 389.465 3.997 20 0 GHADLP Fc1ccc(CC[N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)cc1 ZINC001207513724 1034419248 /nfs/dbraw/zinc/41/92/48/1034419248.db2.gz OFVGGDPCOSZJGZ-OAQYLSRUSA-N 2 2 389.465 3.997 20 0 GHADLP Fc1ccc(CC[NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1 ZINC001207513724 1034419251 /nfs/dbraw/zinc/41/92/51/1034419251.db2.gz OFVGGDPCOSZJGZ-OAQYLSRUSA-N 2 2 389.465 3.997 20 0 GHADLP Fc1ccc(CC[NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1 ZINC001207513724 1034419255 /nfs/dbraw/zinc/41/92/55/1034419255.db2.gz OFVGGDPCOSZJGZ-OAQYLSRUSA-N 2 2 389.465 3.997 20 0 GHADLP COc1c(F)cc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)cc1C(F)(F)F ZINC001159261718 1034510522 /nfs/dbraw/zinc/51/05/22/1034510522.db2.gz PZTKMFUTDGFNKN-UHFFFAOYSA-N 2 2 384.377 3.919 20 0 GHADLP C[C@H](C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1)c1ccccc1 ZINC001207913505 1034656260 /nfs/dbraw/zinc/65/62/60/1034656260.db2.gz LYZYEDWDUQTOFZ-UYAOXDASSA-N 2 2 387.568 3.854 20 0 GHADLP C[C@H](C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1)c1ccccc1 ZINC001207913505 1034656266 /nfs/dbraw/zinc/65/62/66/1034656266.db2.gz LYZYEDWDUQTOFZ-UYAOXDASSA-N 2 2 387.568 3.854 20 0 GHADLP CC(C)n1ccc2c1nc[nH+]c2N[C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001159629706 1034696078 /nfs/dbraw/zinc/69/60/78/1034696078.db2.gz VWFQLZHSVDDYGS-MXVIHJGJSA-N 2 2 396.583 3.763 20 0 GHADLP C[NH+]1CCC(C)(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001208110376 1034740358 /nfs/dbraw/zinc/74/03/58/1034740358.db2.gz YUPZXZFJRWINJW-QHCPKHFHSA-N 2 2 392.543 3.889 20 0 GHADLP C[NH+]1CCC(C)(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001208110376 1034740362 /nfs/dbraw/zinc/74/03/62/1034740362.db2.gz YUPZXZFJRWINJW-QHCPKHFHSA-N 2 2 392.543 3.889 20 0 GHADLP Cc1nc(-n2cncn2)cc(N[C@@H]2CC[C@H](C[C@@H]3CC[C@H]([NH3+])[C@@H](C)C3)C[C@@H]2C)[nH+]1 ZINC001159885998 1034774191 /nfs/dbraw/zinc/77/41/91/1034774191.db2.gz CZFNTGYNTYXKKE-QKHQRUOFSA-N 2 2 397.571 3.736 20 0 GHADLP COCC[N@H+](Cc1ccc(OC(C)C)c(Br)c1)C1CC[NH+](C)CC1 ZINC001231721094 1034859594 /nfs/dbraw/zinc/85/95/94/1034859594.db2.gz QJUDNMBLAULHOW-UHFFFAOYSA-N 2 2 399.373 3.779 20 0 GHADLP COCC[N@@H+](Cc1ccc(OC(C)C)c(Br)c1)C1CC[NH+](C)CC1 ZINC001231721094 1034859605 /nfs/dbraw/zinc/85/96/05/1034859605.db2.gz QJUDNMBLAULHOW-UHFFFAOYSA-N 2 2 399.373 3.779 20 0 GHADLP CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC001160595658 1035012568 /nfs/dbraw/zinc/01/25/68/1035012568.db2.gz RYLLEJBIBCNDBE-UHFFFAOYSA-N 2 2 377.532 3.545 20 0 GHADLP c1cc2c(ccnc2N2CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC001208939846 1035108588 /nfs/dbraw/zinc/10/85/88/1035108588.db2.gz KBAZTHYKIYKXMV-NRFANRHFSA-N 2 2 390.531 3.862 20 0 GHADLP c1cc2c(ccnc2N2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC001208939846 1035108591 /nfs/dbraw/zinc/10/85/91/1035108591.db2.gz KBAZTHYKIYKXMV-NRFANRHFSA-N 2 2 390.531 3.862 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208941990 1035111185 /nfs/dbraw/zinc/11/11/85/1035111185.db2.gz NZQMUVFJNUFSIG-HXUWFJFHSA-N 2 2 385.552 3.594 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208941990 1035111186 /nfs/dbraw/zinc/11/11/86/1035111186.db2.gz NZQMUVFJNUFSIG-HXUWFJFHSA-N 2 2 385.552 3.594 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[NH+]2C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208941990 1035111188 /nfs/dbraw/zinc/11/11/88/1035111188.db2.gz NZQMUVFJNUFSIG-HXUWFJFHSA-N 2 2 385.552 3.594 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[NH+]2C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208941990 1035111189 /nfs/dbraw/zinc/11/11/89/1035111189.db2.gz NZQMUVFJNUFSIG-HXUWFJFHSA-N 2 2 385.552 3.594 20 0 GHADLP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948240 1035118598 /nfs/dbraw/zinc/11/85/98/1035118598.db2.gz FUVCCQJFTDFTSL-LEWJYISDSA-N 2 2 387.568 3.840 20 0 GHADLP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948240 1035118601 /nfs/dbraw/zinc/11/86/01/1035118601.db2.gz FUVCCQJFTDFTSL-LEWJYISDSA-N 2 2 387.568 3.840 20 0 GHADLP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208948240 1035118606 /nfs/dbraw/zinc/11/86/06/1035118606.db2.gz FUVCCQJFTDFTSL-LEWJYISDSA-N 2 2 387.568 3.840 20 0 GHADLP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948240 1035118612 /nfs/dbraw/zinc/11/86/12/1035118612.db2.gz FUVCCQJFTDFTSL-LEWJYISDSA-N 2 2 387.568 3.840 20 0 GHADLP C[C@H]1C[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001232148801 1035127556 /nfs/dbraw/zinc/12/75/56/1035127556.db2.gz GEJOMRORQODDDH-HOTGVXAUSA-N 2 2 379.520 3.717 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001232148801 1035127559 /nfs/dbraw/zinc/12/75/59/1035127559.db2.gz GEJOMRORQODDDH-HOTGVXAUSA-N 2 2 379.520 3.717 20 0 GHADLP Fc1cccc(F)c1CN1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208957574 1035130198 /nfs/dbraw/zinc/13/01/98/1035130198.db2.gz LYNOXYNYKXHRJY-FQEVSTJZSA-N 2 2 385.502 3.605 20 0 GHADLP Fc1cccc(F)c1CN1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208957574 1035130206 /nfs/dbraw/zinc/13/02/06/1035130206.db2.gz LYNOXYNYKXHRJY-FQEVSTJZSA-N 2 2 385.502 3.605 20 0 GHADLP COc1ccc(F)cc1C[NH+]1CCC(Nc2[nH+]cnc3[nH]c(C)c(C)c32)CC1 ZINC001161152515 1035160803 /nfs/dbraw/zinc/16/08/03/1035160803.db2.gz CINFAWGHWNAJMJ-UHFFFAOYSA-N 2 2 383.471 3.799 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CC2(F)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001209239799 1035216421 /nfs/dbraw/zinc/21/64/21/1035216421.db2.gz HYWRMSUOAXRXRM-QGZVFWFLSA-N 2 2 393.503 3.582 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CC2(F)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001209239799 1035216424 /nfs/dbraw/zinc/21/64/24/1035216424.db2.gz HYWRMSUOAXRXRM-QGZVFWFLSA-N 2 2 393.503 3.582 20 0 GHADLP FC(F)(F)c1ccccc1CC[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001209278298 1035229221 /nfs/dbraw/zinc/22/92/21/1035229221.db2.gz UGNUKFYOEFOFGY-KDURUIRLSA-N 2 2 375.438 3.707 20 0 GHADLP FC(F)(F)c1ccccc1CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001209278298 1035229223 /nfs/dbraw/zinc/22/92/23/1035229223.db2.gz UGNUKFYOEFOFGY-KDURUIRLSA-N 2 2 375.438 3.707 20 0 GHADLP FC(F)(F)c1ccccc1CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001209278298 1035229226 /nfs/dbraw/zinc/22/92/26/1035229226.db2.gz UGNUKFYOEFOFGY-KDURUIRLSA-N 2 2 375.438 3.707 20 0 GHADLP FC(F)(F)c1ccccc1CC[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001209278298 1035229230 /nfs/dbraw/zinc/22/92/30/1035229230.db2.gz UGNUKFYOEFOFGY-KDURUIRLSA-N 2 2 375.438 3.707 20 0 GHADLP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc(F)c1O ZINC001209534476 1035307532 /nfs/dbraw/zinc/30/75/32/1035307532.db2.gz QIZAPFUSDYJLNY-FBBABVLZSA-N 2 2 399.510 3.667 20 0 GHADLP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc(F)c1O ZINC001209534476 1035307536 /nfs/dbraw/zinc/30/75/36/1035307536.db2.gz QIZAPFUSDYJLNY-FBBABVLZSA-N 2 2 399.510 3.667 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc(F)c1O ZINC001209534476 1035307539 /nfs/dbraw/zinc/30/75/39/1035307539.db2.gz QIZAPFUSDYJLNY-FBBABVLZSA-N 2 2 399.510 3.667 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc(F)c1O ZINC001209534476 1035307544 /nfs/dbraw/zinc/30/75/44/1035307544.db2.gz QIZAPFUSDYJLNY-FBBABVLZSA-N 2 2 399.510 3.667 20 0 GHADLP C[NH+]1CCN(c2cccc(N[C@H](CC3CCOCC3)c3cccc(F)c3)[nH+]2)CC1 ZINC001161837975 1035312606 /nfs/dbraw/zinc/31/26/06/1035312606.db2.gz PUXFMECMVLEVCZ-OAQYLSRUSA-N 2 2 398.526 3.942 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3c[nH]c4cc(F)ccc34)CC2)CC1 ZINC001209687829 1035356192 /nfs/dbraw/zinc/35/61/92/1035356192.db2.gz YMUQHAWCMGIFRK-UHFFFAOYSA-N 2 2 387.499 3.547 20 0 GHADLP Nc1cc(-c2ccc3c(c2)C(=O)OC32CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC001241176067 1035528250 /nfs/dbraw/zinc/52/82/50/1035528250.db2.gz SYAPBEZSWJTJER-UHFFFAOYSA-N 2 2 385.467 3.993 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(OCC[NH+]4CCCCC4)cc3)c2)C1 ZINC001241760272 1035683193 /nfs/dbraw/zinc/68/31/93/1035683193.db2.gz ALMDSJHVILWTSY-QHCPKHFHSA-N 3 2 379.548 3.751 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(OCC[NH+]4CCCCC4)cc3)c2)C1 ZINC001241760272 1035683201 /nfs/dbraw/zinc/68/32/01/1035683201.db2.gz ALMDSJHVILWTSY-QHCPKHFHSA-N 3 2 379.548 3.751 20 0 GHADLP Cc1cccc(Br)c1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001248608214 1035987272 /nfs/dbraw/zinc/98/72/72/1035987272.db2.gz IEHSWICCCXYBIU-IAGOWNOFSA-N 2 2 386.337 3.716 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3F)cc2)C1 ZINC001243909166 1036334143 /nfs/dbraw/zinc/33/41/43/1036334143.db2.gz IGKQZAYUZDFFKV-FQEVSTJZSA-N 2 2 381.495 3.652 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3F)cc2)C1 ZINC001243909166 1036334165 /nfs/dbraw/zinc/33/41/65/1036334165.db2.gz IGKQZAYUZDFFKV-FQEVSTJZSA-N 2 2 381.495 3.652 20 0 GHADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246202921 1037236106 /nfs/dbraw/zinc/23/61/06/1037236106.db2.gz PFWSQEMQXPPPEP-PBHICJAKSA-N 2 2 399.373 3.809 20 0 GHADLP Ic1ccccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246323605 1037296401 /nfs/dbraw/zinc/29/64/01/1037296401.db2.gz JKUKNAWZMTVQAO-WMZOPIPTSA-N 2 2 392.284 3.874 20 0 GHADLP c1ccc(-c2nnc3ccc(C[NH2+][C@H]4CC[NH2+][C@@H](c5ccccc5)C4)cn32)cc1 ZINC001246390994 1037352289 /nfs/dbraw/zinc/35/22/89/1037352289.db2.gz QUHIGHONFMCDBE-FCHUYYIVSA-N 2 2 383.499 3.979 20 0 GHADLP Clc1cccc(CC2([NH2+][C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246427456 1037384804 /nfs/dbraw/zinc/38/48/04/1037384804.db2.gz HCLYCTROZQXDSF-DHIUTWEWSA-N 3 2 397.994 3.958 20 0 GHADLP CC(C)C[NH+]1CCC([N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001246617847 1037507797 /nfs/dbraw/zinc/50/77/97/1037507797.db2.gz GYKDQSACYHNJTG-DEOSSOPVSA-N 3 2 399.623 3.910 20 0 GHADLP CC(C)C[NH+]1CCC([N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001246617847 1037507814 /nfs/dbraw/zinc/50/78/14/1037507814.db2.gz GYKDQSACYHNJTG-DEOSSOPVSA-N 3 2 399.623 3.910 20 0 GHADLP [NH3+][C@]12C[C@H]1C[N@@H+]([C@@H]1CC[C@]3(c4ccccc4)CC[NH+](Cc4ccccc4)[C@@H]3C1)C2 ZINC001246641866 1037523751 /nfs/dbraw/zinc/52/37/51/1037523751.db2.gz AAMAADSAZHNWIL-QJEZIUSSSA-N 3 2 387.571 3.784 20 0 GHADLP [NH3+][C@]12C[C@H]1C[N@H+]([C@@H]1CC[C@]3(c4ccccc4)CC[NH+](Cc4ccccc4)[C@@H]3C1)C2 ZINC001246641866 1037523755 /nfs/dbraw/zinc/52/37/55/1037523755.db2.gz AAMAADSAZHNWIL-QJEZIUSSSA-N 3 2 387.571 3.784 20 0 GHADLP [NH3+][C@]12C[C@H]1C[NH+]([C@@H]1CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C1)C2 ZINC001246641866 1037523762 /nfs/dbraw/zinc/52/37/62/1037523762.db2.gz AAMAADSAZHNWIL-QJEZIUSSSA-N 3 2 387.571 3.784 20 0 GHADLP [NH3+][C@]12C[C@H]1C[NH+]([C@@H]1CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C1)C2 ZINC001246641866 1037523768 /nfs/dbraw/zinc/52/37/68/1037523768.db2.gz AAMAADSAZHNWIL-QJEZIUSSSA-N 3 2 387.571 3.784 20 0 GHADLP C[C@@H]1CC([N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246653974 1037529538 /nfs/dbraw/zinc/52/95/38/1037529538.db2.gz GCHPYLYTBQRCOC-HBXLWWENSA-N 3 2 381.486 3.512 20 0 GHADLP C[C@@H]1CC([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246653974 1037529551 /nfs/dbraw/zinc/52/95/51/1037529551.db2.gz GCHPYLYTBQRCOC-HBXLWWENSA-N 3 2 381.486 3.512 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+]([C@@H]4CC[NH2+][C@@H](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001246707341 1037558569 /nfs/dbraw/zinc/55/85/69/1037558569.db2.gz GLNRCIXIGSJYBV-FXSWLTOZSA-N 3 2 389.587 3.722 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@H+]2CCc3ncnc(OC(C)C)c3CC2)CC[NH2+]1 ZINC001246710373 1037561430 /nfs/dbraw/zinc/56/14/30/1037561430.db2.gz USRBJZPBVMDKJE-PGRDOPGGSA-N 2 2 398.526 3.605 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@@H+]2CCc3ncnc(OC(C)C)c3CC2)CC[NH2+]1 ZINC001246710373 1037561440 /nfs/dbraw/zinc/56/14/40/1037561440.db2.gz USRBJZPBVMDKJE-PGRDOPGGSA-N 2 2 398.526 3.605 20 0 GHADLP C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246722216 1037572663 /nfs/dbraw/zinc/57/26/63/1037572663.db2.gz QRPNOUCDWDHEMO-UYAOXDASSA-N 2 2 386.584 3.889 20 0 GHADLP C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246722216 1037572697 /nfs/dbraw/zinc/57/26/97/1037572697.db2.gz QRPNOUCDWDHEMO-UYAOXDASSA-N 2 2 386.584 3.889 20 0 GHADLP c1ccc(C[C@H]2C[C@@H]([NH+]3CCN(c4nc5ccccc5s4)CC3)CC[NH2+]2)cc1 ZINC001246775534 1037615471 /nfs/dbraw/zinc/61/54/71/1037615471.db2.gz GKAATWZRLSEKOG-PMACEKPBSA-N 2 2 392.572 3.782 20 0 GHADLP COc1cc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)ccc1Cl ZINC001246887281 1037701114 /nfs/dbraw/zinc/70/11/14/1037701114.db2.gz LEXIVIDFXKYEEN-TZIWHRDSSA-N 2 2 399.966 3.834 20 0 GHADLP C[NH+]1CCC(C[N@H+](CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)CC1 ZINC001462205575 1070082882 /nfs/dbraw/zinc/08/28/82/1070082882.db2.gz HQCMSFVLEVCGLK-UHFFFAOYSA-N 3 2 378.923 3.910 20 0 GHADLP C[NH+]1CCC(C[N@@H+](CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)CC1 ZINC001462205575 1070082905 /nfs/dbraw/zinc/08/29/05/1070082905.db2.gz HQCMSFVLEVCGLK-UHFFFAOYSA-N 3 2 378.923 3.910 20 0 GHADLP O=C(c1ccccc1)N1CCC[C@@H]([N@H+](Cc2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246937186 1037743598 /nfs/dbraw/zinc/74/35/98/1037743598.db2.gz ZYFJZHWCJCSBTE-JOCHJYFZSA-N 2 2 395.522 3.685 20 0 GHADLP O=C(c1ccccc1)N1CCC[C@@H]([N@@H+](Cc2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246937186 1037743623 /nfs/dbraw/zinc/74/36/23/1037743623.db2.gz ZYFJZHWCJCSBTE-JOCHJYFZSA-N 2 2 395.522 3.685 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@H]([N@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246954193 1037762450 /nfs/dbraw/zinc/76/24/50/1037762450.db2.gz FESYGBVMWXWQME-PBHICJAKSA-N 2 2 398.469 3.780 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246954193 1037762476 /nfs/dbraw/zinc/76/24/76/1037762476.db2.gz FESYGBVMWXWQME-PBHICJAKSA-N 2 2 398.469 3.780 20 0 GHADLP CCn1c2ccccc2nc1N1CC[NH+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC001246968973 1037791834 /nfs/dbraw/zinc/79/18/34/1037791834.db2.gz RZWMGDAQAVJGFP-IFMALSPDSA-N 2 2 389.547 3.672 20 0 GHADLP FC(F)(F)[C@@H]1C[N@H+](Cc2ccccc2)CCN1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246993122 1037817697 /nfs/dbraw/zinc/81/76/97/1037817697.db2.gz KPLXLXHIKXLBKN-HSALFYBXSA-N 2 2 381.486 3.657 20 0 GHADLP FC(F)(F)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246993122 1037817726 /nfs/dbraw/zinc/81/77/26/1037817726.db2.gz KPLXLXHIKXLBKN-HSALFYBXSA-N 2 2 381.486 3.657 20 0 GHADLP CCOC(=O)[C@@H]1c2ccc(Cl)cc2CC[N@@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001247005431 1037829928 /nfs/dbraw/zinc/82/99/28/1037829928.db2.gz UEAPOZHKTGSJLZ-HKUYNNGSSA-N 2 2 376.928 3.725 20 0 GHADLP CCOC(=O)[C@@H]1c2ccc(Cl)cc2CC[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001247005431 1037829948 /nfs/dbraw/zinc/82/99/48/1037829948.db2.gz UEAPOZHKTGSJLZ-HKUYNNGSSA-N 2 2 376.928 3.725 20 0 GHADLP CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3c[nH+]c(C)[nH]3)CC2)c2ccccc21 ZINC001232461930 1038247808 /nfs/dbraw/zinc/24/78/08/1038247808.db2.gz QCUJEHBTNOIDOX-IBGZPJMESA-N 2 2 394.563 3.998 20 0 GHADLP Clc1cc(Br)cc(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c1 ZINC001247863346 1038434414 /nfs/dbraw/zinc/43/44/14/1038434414.db2.gz ZLUIRILYFRVVGY-CYBMUJFWSA-N 2 2 397.704 3.699 20 0 GHADLP c1cc(-c2noc([C@@H]3CC[N@@H+]3C3CCCCC3)n2)ccc1C[NH+]1CCOCC1 ZINC001248033104 1038547665 /nfs/dbraw/zinc/54/76/65/1038547665.db2.gz BUUGYRQRXDRYCT-FQEVSTJZSA-N 2 2 382.508 3.648 20 0 GHADLP c1cc(-c2noc([C@@H]3CC[N@H+]3C3CCCCC3)n2)ccc1C[NH+]1CCOCC1 ZINC001248033104 1038547673 /nfs/dbraw/zinc/54/76/73/1038547673.db2.gz BUUGYRQRXDRYCT-FQEVSTJZSA-N 2 2 382.508 3.648 20 0 GHADLP Fc1cccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)cn2)c1 ZINC001232885626 1038662619 /nfs/dbraw/zinc/66/26/19/1038662619.db2.gz ZXSSDVUMVCEFMF-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP Fc1cccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)cn2)c1 ZINC001232885626 1038662622 /nfs/dbraw/zinc/66/26/22/1038662622.db2.gz ZXSSDVUMVCEFMF-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP Fc1cccc(-c2ccc(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)cn2)c1 ZINC001232885626 1038662628 /nfs/dbraw/zinc/66/26/28/1038662628.db2.gz ZXSSDVUMVCEFMF-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP Fc1cccc(-c2ccc(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)cn2)c1 ZINC001232885626 1038662633 /nfs/dbraw/zinc/66/26/33/1038662633.db2.gz ZXSSDVUMVCEFMF-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC001233298632 1039091529 /nfs/dbraw/zinc/09/15/29/1039091529.db2.gz RTVMHZCPGYLCSZ-OUKQBFOZSA-N 2 2 378.516 3.969 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC001233298632 1039091546 /nfs/dbraw/zinc/09/15/46/1039091546.db2.gz RTVMHZCPGYLCSZ-OUKQBFOZSA-N 2 2 378.516 3.969 20 0 GHADLP C[N@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252935945 1039274372 /nfs/dbraw/zinc/27/43/72/1039274372.db2.gz DLTMXKYZJSVDKT-FQEVSTJZSA-N 2 2 394.437 3.654 20 0 GHADLP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252935945 1039274387 /nfs/dbraw/zinc/27/43/87/1039274387.db2.gz DLTMXKYZJSVDKT-FQEVSTJZSA-N 2 2 394.437 3.654 20 0 GHADLP C[NH+](Cc1cccc(OC(F)(F)F)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252935945 1039274401 /nfs/dbraw/zinc/27/44/01/1039274401.db2.gz DLTMXKYZJSVDKT-FQEVSTJZSA-N 2 2 394.437 3.654 20 0 GHADLP C[NH+](Cc1cccc(OC(F)(F)F)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252935945 1039274410 /nfs/dbraw/zinc/27/44/10/1039274410.db2.gz DLTMXKYZJSVDKT-FQEVSTJZSA-N 2 2 394.437 3.654 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC001253272300 1039517589 /nfs/dbraw/zinc/51/75/89/1039517589.db2.gz DYCSNOYHPYYRLZ-UHFFFAOYSA-N 2 2 397.438 3.825 20 0 GHADLP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001253493908 1039675390 /nfs/dbraw/zinc/67/53/90/1039675390.db2.gz KMPAHXZJANCZMU-OAQYLSRUSA-N 2 2 375.944 3.805 20 0 GHADLP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001253493908 1039675395 /nfs/dbraw/zinc/67/53/95/1039675395.db2.gz KMPAHXZJANCZMU-OAQYLSRUSA-N 2 2 375.944 3.805 20 0 GHADLP CCCCC[C@@H](O)C[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001253532991 1039694861 /nfs/dbraw/zinc/69/48/61/1039694861.db2.gz WZIQMVSWASQJLF-UXHICEINSA-N 2 2 381.511 3.556 20 0 GHADLP CCCCC[C@@H](O)C[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001253532991 1039694869 /nfs/dbraw/zinc/69/48/69/1039694869.db2.gz WZIQMVSWASQJLF-UXHICEINSA-N 2 2 381.511 3.556 20 0 GHADLP CCCCC[C@@H](O)C[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001253532991 1039694879 /nfs/dbraw/zinc/69/48/79/1039694879.db2.gz WZIQMVSWASQJLF-UXHICEINSA-N 2 2 381.511 3.556 20 0 GHADLP CCCCC[C@@H](O)C[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001253532991 1039694885 /nfs/dbraw/zinc/69/48/85/1039694885.db2.gz WZIQMVSWASQJLF-UXHICEINSA-N 2 2 381.511 3.556 20 0 GHADLP COc1cc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)ccc1-n1cc[nH+]c1 ZINC001234085466 1039824331 /nfs/dbraw/zinc/82/43/31/1039824331.db2.gz SYMGZMCLCCESPJ-UHFFFAOYSA-N 2 2 396.535 3.542 20 0 GHADLP Cc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)nn1-c1cc(C)cc(C)c1 ZINC001254236906 1040089526 /nfs/dbraw/zinc/08/95/26/1040089526.db2.gz CRJGZLFXLKIMPS-UHFFFAOYSA-N 2 2 386.459 3.939 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[NH2+]C1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001254487593 1040272511 /nfs/dbraw/zinc/27/25/11/1040272511.db2.gz QIYZPXOACUEAGY-QHCPKHFHSA-N 2 2 393.575 3.898 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[C@H]([NH2+][C@H]3CC[N@H+](CC4CC4)C3)C2)CC1 ZINC001254739544 1040497353 /nfs/dbraw/zinc/49/73/53/1040497353.db2.gz BTDQEFNHRKWEOH-OALUTQOASA-N 2 2 377.573 3.630 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[C@H]([NH2+][C@H]3CC[N@@H+](CC4CC4)C3)C2)CC1 ZINC001254739544 1040497364 /nfs/dbraw/zinc/49/73/64/1040497364.db2.gz BTDQEFNHRKWEOH-OALUTQOASA-N 2 2 377.573 3.630 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1cc(C)c(OC)cc1C)CC2 ZINC001235018245 1040506144 /nfs/dbraw/zinc/50/61/44/1040506144.db2.gz HETDVNDCUMWZRS-UHFFFAOYSA-N 2 2 380.532 3.958 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1cc(C)c(OC)cc1C)CC2 ZINC001235018245 1040506164 /nfs/dbraw/zinc/50/61/64/1040506164.db2.gz HETDVNDCUMWZRS-UHFFFAOYSA-N 2 2 380.532 3.958 20 0 GHADLP CCN(CC[NH+](CC)CC)Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235032400 1040522944 /nfs/dbraw/zinc/52/29/44/1040522944.db2.gz XPOVFHZXBWLJLH-UHFFFAOYSA-N 2 2 379.346 3.799 20 0 GHADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](Cc2cccc(N3CCOCC3)c2)CC1 ZINC001235086563 1040574826 /nfs/dbraw/zinc/57/48/26/1040574826.db2.gz SBXQYFZDOWIMJR-UHFFFAOYSA-N 2 2 397.538 3.759 20 0 GHADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](Cc2cccc(N3CCOCC3)c2)CC1 ZINC001235086563 1040574837 /nfs/dbraw/zinc/57/48/37/1040574837.db2.gz SBXQYFZDOWIMJR-UHFFFAOYSA-N 2 2 397.538 3.759 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254856551 1040601023 /nfs/dbraw/zinc/60/10/23/1040601023.db2.gz VLVNZJCXBQFMNI-UGKGYDQZSA-N 2 2 377.573 3.584 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254856551 1040601035 /nfs/dbraw/zinc/60/10/35/1040601035.db2.gz VLVNZJCXBQFMNI-UGKGYDQZSA-N 2 2 377.573 3.584 20 0 GHADLP O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CC[NH+]([C@@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254861544 1040606236 /nfs/dbraw/zinc/60/62/36/1040606236.db2.gz UFGIJHWKGRDSSO-PKTZIBPZSA-N 2 2 393.575 3.546 20 0 GHADLP Cc1ccc(I)c(C[N@@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235191082 1040682267 /nfs/dbraw/zinc/68/22/67/1040682267.db2.gz KPIRZHDEACHJFC-UHFFFAOYSA-N 2 2 384.305 3.708 20 0 GHADLP Cc1ccc(I)c(C[N@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235191082 1040682274 /nfs/dbraw/zinc/68/22/74/1040682274.db2.gz KPIRZHDEACHJFC-UHFFFAOYSA-N 2 2 384.305 3.708 20 0 GHADLP c1ccc([C@H]2C[NH2+]C[C@]23CCC[N@H+]3Cc2ccc(OC3CCOCC3)cc2)cc1 ZINC001235250774 1040732610 /nfs/dbraw/zinc/73/26/10/1040732610.db2.gz KGKQHNJPEVGSHT-JWQCQUIFSA-N 2 2 392.543 3.966 20 0 GHADLP c1ccc([C@H]2C[NH2+]C[C@]23CCC[N@@H+]3Cc2ccc(OC3CCOCC3)cc2)cc1 ZINC001235250774 1040732624 /nfs/dbraw/zinc/73/26/24/1040732624.db2.gz KGKQHNJPEVGSHT-JWQCQUIFSA-N 2 2 392.543 3.966 20 0 GHADLP FC(F)(F)Oc1ccc(Cl)cc1C[NH+]1CCC(OC2CC[NH2+]CC2)CC1 ZINC001235296105 1040769019 /nfs/dbraw/zinc/76/90/19/1040769019.db2.gz UGGVYPDGJNQPGR-UHFFFAOYSA-N 2 2 392.849 3.972 20 0 GHADLP Cc1c(F)cccc1C[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255107100 1040787504 /nfs/dbraw/zinc/78/75/04/1040787504.db2.gz DBXCKPPYARRMEI-HSZRJFAPSA-N 2 2 381.539 3.963 20 0 GHADLP Cc1c(F)cccc1C[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255107100 1040787519 /nfs/dbraw/zinc/78/75/19/1040787519.db2.gz DBXCKPPYARRMEI-HSZRJFAPSA-N 2 2 381.539 3.963 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccnc(OCC4CCC4)n2)C3)cc1 ZINC001255130754 1040824663 /nfs/dbraw/zinc/82/46/63/1040824663.db2.gz ABHDOEVWYPMFNE-WBDAEOGXSA-N 2 2 392.547 3.941 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccnc(OCC4CCC4)n2)C3)cc1 ZINC001255130754 1040824691 /nfs/dbraw/zinc/82/46/91/1040824691.db2.gz ABHDOEVWYPMFNE-WBDAEOGXSA-N 2 2 392.547 3.941 20 0 GHADLP c1c(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)onc1OCc1ccccc1 ZINC001235354402 1040833124 /nfs/dbraw/zinc/83/31/24/1040833124.db2.gz GIOZQIXYPPUABY-ISKFKSNPSA-N 2 2 389.499 3.833 20 0 GHADLP c1c(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)onc1OCc1ccccc1 ZINC001235354402 1040833154 /nfs/dbraw/zinc/83/31/54/1040833154.db2.gz GIOZQIXYPPUABY-ISKFKSNPSA-N 2 2 389.499 3.833 20 0 GHADLP Clc1cc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc2c1OCO2 ZINC001235365558 1040857391 /nfs/dbraw/zinc/85/73/91/1040857391.db2.gz OCNNDEOWEVPGKA-PGRDOPGGSA-N 2 2 384.907 3.822 20 0 GHADLP Clc1cc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc2c1OCO2 ZINC001235365558 1040857408 /nfs/dbraw/zinc/85/74/08/1040857408.db2.gz OCNNDEOWEVPGKA-PGRDOPGGSA-N 2 2 384.907 3.822 20 0 GHADLP Clc1cc2[nH]cc(C[N@@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)c2cn1 ZINC001235382008 1040901756 /nfs/dbraw/zinc/90/17/56/1040901756.db2.gz LXBOAJYIBKTVFZ-GCJKJVERSA-N 2 2 380.923 3.970 20 0 GHADLP Clc1cc2[nH]cc(C[N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)c2cn1 ZINC001235382008 1040901766 /nfs/dbraw/zinc/90/17/66/1040901766.db2.gz LXBOAJYIBKTVFZ-GCJKJVERSA-N 2 2 380.923 3.970 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1C[NH+](Cc3ccccc3)C1)C2 ZINC001255220591 1040912419 /nfs/dbraw/zinc/91/24/19/1040912419.db2.gz OSHCBCIUZVXMSP-WKCHPHFGSA-N 2 2 385.552 3.639 20 0 GHADLP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccc3nc(Br)sc3c1)C2 ZINC001235401814 1040914857 /nfs/dbraw/zinc/91/48/57/1040914857.db2.gz UCKHMAQWZYTRMC-HOCLYGCPSA-N 2 2 384.318 3.582 20 0 GHADLP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc3nc(Br)sc3c1)C2 ZINC001235401814 1040914868 /nfs/dbraw/zinc/91/48/68/1040914868.db2.gz UCKHMAQWZYTRMC-HOCLYGCPSA-N 2 2 384.318 3.582 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)ccc1OCc1ccccc1 ZINC001235407785 1040918531 /nfs/dbraw/zinc/91/85/31/1040918531.db2.gz TZWYBFDKIDSVFG-PKTZIBPZSA-N 2 2 384.495 3.798 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)ccc1OCc1ccccc1 ZINC001235407785 1040918548 /nfs/dbraw/zinc/91/85/48/1040918548.db2.gz TZWYBFDKIDSVFG-PKTZIBPZSA-N 2 2 384.495 3.798 20 0 GHADLP CC[C@H]([NH3+])C[NH+]1CCC(c2cc3c(ncn3C(C)C)c(N3CCCC3)n2)CC1 ZINC001235452103 1040944498 /nfs/dbraw/zinc/94/44/98/1040944498.db2.gz BNEQCUYTGUVTCT-SFHVURJKSA-N 2 2 384.572 3.529 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)C1 ZINC001255350500 1040956297 /nfs/dbraw/zinc/95/62/97/1040956297.db2.gz UUEHGLXMQGKCJZ-FXAWDEMLSA-N 2 2 376.516 3.810 20 0 GHADLP C[C@H]1C[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001255398603 1040984895 /nfs/dbraw/zinc/98/48/95/1040984895.db2.gz LCGLBNLJXXJVHU-FPOVZHCZSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001255398603 1040984900 /nfs/dbraw/zinc/98/49/00/1040984900.db2.gz LCGLBNLJXXJVHU-FPOVZHCZSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001255398603 1040984903 /nfs/dbraw/zinc/98/49/03/1040984903.db2.gz LCGLBNLJXXJVHU-FPOVZHCZSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001255398603 1040984908 /nfs/dbraw/zinc/98/49/08/1040984908.db2.gz LCGLBNLJXXJVHU-FPOVZHCZSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1C[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001255398605 1040985511 /nfs/dbraw/zinc/98/55/11/1040985511.db2.gz LCGLBNLJXXJVHU-PZJWPPBQSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001255398605 1040985512 /nfs/dbraw/zinc/98/55/12/1040985512.db2.gz LCGLBNLJXXJVHU-PZJWPPBQSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001255398605 1040985515 /nfs/dbraw/zinc/98/55/15/1040985515.db2.gz LCGLBNLJXXJVHU-PZJWPPBQSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001255398605 1040985516 /nfs/dbraw/zinc/98/55/16/1040985516.db2.gz LCGLBNLJXXJVHU-PZJWPPBQSA-N 2 2 387.568 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)C[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255400301 1040986019 /nfs/dbraw/zinc/98/60/19/1040986019.db2.gz HXLQMPUAVKSASR-FQEVSTJZSA-N 2 2 385.552 3.594 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)C[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255400301 1040986022 /nfs/dbraw/zinc/98/60/22/1040986022.db2.gz HXLQMPUAVKSASR-FQEVSTJZSA-N 2 2 385.552 3.594 20 0 GHADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001255595473 1041154236 /nfs/dbraw/zinc/15/42/36/1041154236.db2.gz PBPGUZOMIGNINR-HXUWFJFHSA-N 2 2 391.531 3.698 20 0 GHADLP C[NH+](C)CCN(CC1CCCCC1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001235853620 1041379546 /nfs/dbraw/zinc/37/95/46/1041379546.db2.gz VOBMMOGWHMCFCD-JOCHJYFZSA-N 2 2 397.567 3.778 20 0 GHADLP Clc1ccc2c(c1)C(N1CC[NH+](C[C@H]3CC[NH2+]C3)CC1)=Nc1ccccc1O2 ZINC001235866596 1041401237 /nfs/dbraw/zinc/40/12/37/1041401237.db2.gz XZJKYSDPMFBXKU-INIZCTEOSA-N 2 2 396.922 3.751 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](CC(=O)OC)c1cccc(Br)c1 ZINC001255954510 1041435165 /nfs/dbraw/zinc/43/51/65/1041435165.db2.gz WWMIKXMIDMAAAZ-WMLDXEAASA-N 2 2 385.346 3.763 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 ZINC001255961389 1041439763 /nfs/dbraw/zinc/43/97/63/1041439763.db2.gz CZWZOPQUWRMSIE-MQSCRBSSSA-N 2 2 389.584 3.590 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 ZINC001255961389 1041439766 /nfs/dbraw/zinc/43/97/66/1041439766.db2.gz CZWZOPQUWRMSIE-MQSCRBSSSA-N 2 2 389.584 3.590 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2cccnc2)C1 ZINC001255963286 1041444069 /nfs/dbraw/zinc/44/40/69/1041444069.db2.gz PGKGAQMZVKZEQK-AKIFATBCSA-N 2 2 389.584 3.590 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCO[C@]2(CCC[C@H]2COCc2cccnc2)C1 ZINC001255963286 1041444081 /nfs/dbraw/zinc/44/40/81/1041444081.db2.gz PGKGAQMZVKZEQK-AKIFATBCSA-N 2 2 389.584 3.590 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@]2(CCCC[N@@H+]2C2CC[NH+](C3CC3)CC2)C1 ZINC001256075022 1041510249 /nfs/dbraw/zinc/51/02/49/1041510249.db2.gz BFWWTPZASKXNGG-QFIPXVFZSA-N 2 2 377.573 3.869 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@]2(CCCC[N@H+]2C2CC[NH+](C3CC3)CC2)C1 ZINC001256075022 1041510262 /nfs/dbraw/zinc/51/02/62/1041510262.db2.gz BFWWTPZASKXNGG-QFIPXVFZSA-N 2 2 377.573 3.869 20 0 GHADLP FC(F)(F)c1cc(C[NH+]2CCC(N3CC[NH2+]CC3)CC2)cc(C(F)(F)F)c1 ZINC001236126512 1041554390 /nfs/dbraw/zinc/55/43/90/1041554390.db2.gz CJXCCZVSEPUULX-UHFFFAOYSA-N 2 2 395.391 3.594 20 0 GHADLP Cc1[nH+]cn([C@@H]2CCc3cccc(Br)c3C2)c1CSCC[NH3+] ZINC001256123919 1041556199 /nfs/dbraw/zinc/55/61/99/1041556199.db2.gz UNPVRZLDQQJVFN-CQSZACIVSA-N 2 2 380.355 3.876 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccccc2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001256211419 1041650566 /nfs/dbraw/zinc/65/05/66/1041650566.db2.gz WWORZGZOGYMSJG-NRFANRHFSA-N 2 2 387.568 3.982 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001256211419 1041650592 /nfs/dbraw/zinc/65/05/92/1041650592.db2.gz WWORZGZOGYMSJG-NRFANRHFSA-N 2 2 387.568 3.982 20 0 GHADLP COCC[N@H+](Cc1ccc(Br)c2ccccc12)[C@H]1CCC[NH2+]C1 ZINC001236333870 1041675850 /nfs/dbraw/zinc/67/58/50/1041675850.db2.gz ZFWDLVHNZMDAAX-INIZCTEOSA-N 2 2 377.326 3.803 20 0 GHADLP COCC[N@@H+](Cc1ccc(Br)c2ccccc12)[C@H]1CCC[NH2+]C1 ZINC001236333870 1041675852 /nfs/dbraw/zinc/67/58/52/1041675852.db2.gz ZFWDLVHNZMDAAX-INIZCTEOSA-N 2 2 377.326 3.803 20 0 GHADLP COCc1ccc(C[N@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)o1 ZINC001236376385 1041687615 /nfs/dbraw/zinc/68/76/15/1041687615.db2.gz GSQHZUCSBCFINK-UHFFFAOYSA-N 2 2 393.325 3.943 20 0 GHADLP COCc1ccc(C[N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)o1 ZINC001236376385 1041687620 /nfs/dbraw/zinc/68/76/20/1041687620.db2.gz GSQHZUCSBCFINK-UHFFFAOYSA-N 2 2 393.325 3.943 20 0 GHADLP C[C@@H](Cc1ccccn1)n1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC001256404500 1041720610 /nfs/dbraw/zinc/72/06/10/1041720610.db2.gz DVOBQSQUOMKNDK-SBUREZEXSA-N 2 2 399.498 3.744 20 0 GHADLP COC(=O)c1cccc(C[N@H+](Cc2ccc3ccccc3n2)C2CC[NH2+]CC2)c1 ZINC001236464830 1041727005 /nfs/dbraw/zinc/72/70/05/1041727005.db2.gz KUXLQTJJWHXKQP-UHFFFAOYSA-N 2 2 389.499 3.776 20 0 GHADLP COC(=O)c1cccc(C[N@@H+](Cc2ccc3ccccc3n2)C2CC[NH2+]CC2)c1 ZINC001236464830 1041727011 /nfs/dbraw/zinc/72/70/11/1041727011.db2.gz KUXLQTJJWHXKQP-UHFFFAOYSA-N 2 2 389.499 3.776 20 0 GHADLP CCOC(=O)[C@H]1CC[C@H](C[N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001236510679 1041746342 /nfs/dbraw/zinc/74/63/42/1041746342.db2.gz BAHXQBTYDLFOAE-QAQDUYKDSA-N 2 2 394.506 3.888 20 0 GHADLP CCOC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001236510679 1041746348 /nfs/dbraw/zinc/74/63/48/1041746348.db2.gz BAHXQBTYDLFOAE-QAQDUYKDSA-N 2 2 394.506 3.888 20 0 GHADLP C[NH+]1CCN(C(=O)c2ccc(-c3cc(F)c(C[NH+]4CCCC4)c(F)c3)cc2)CC1 ZINC001236562560 1041764237 /nfs/dbraw/zinc/76/42/37/1041764237.db2.gz XMYCMQZCDMLCKQ-UHFFFAOYSA-N 2 2 399.485 3.615 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc4ccccc4cc3OC)CC2)C1 ZINC001236681034 1041826851 /nfs/dbraw/zinc/82/68/51/1041826851.db2.gz ZOHZCDMMWHNQQH-FQEVSTJZSA-N 2 2 396.531 3.698 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc4ccccc4cc3OC)CC2)C1 ZINC001236681034 1041826858 /nfs/dbraw/zinc/82/68/58/1041826858.db2.gz ZOHZCDMMWHNQQH-FQEVSTJZSA-N 2 2 396.531 3.698 20 0 GHADLP COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236902326 1041946853 /nfs/dbraw/zinc/94/68/53/1041946853.db2.gz HBCODTAHBSDLII-PMACEKPBSA-N 2 2 375.900 3.543 20 0 GHADLP COC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236902326 1041946856 /nfs/dbraw/zinc/94/68/56/1041946856.db2.gz HBCODTAHBSDLII-PMACEKPBSA-N 2 2 375.900 3.543 20 0 GHADLP Clc1cc(C[N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)ccc1-n1cc[nH+]c1 ZINC001236906338 1041950158 /nfs/dbraw/zinc/95/01/58/1041950158.db2.gz UYCNRDYHTIADBK-WIYYLYMNSA-N 2 2 387.911 3.686 20 0 GHADLP Clc1cc(C[N@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)ccc1-n1cc[nH+]c1 ZINC001236906338 1041950159 /nfs/dbraw/zinc/95/01/59/1041950159.db2.gz UYCNRDYHTIADBK-WIYYLYMNSA-N 2 2 387.911 3.686 20 0 GHADLP CC(=O)N1CCCCC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)CC2 ZINC001236905939 1041950350 /nfs/dbraw/zinc/95/03/50/1041950350.db2.gz SAXKEULDKAGGQO-UHFFFAOYSA-N 2 2 386.927 3.893 20 0 GHADLP COC(=O)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@H]1c1ccccc1 ZINC001236911261 1041953066 /nfs/dbraw/zinc/95/30/66/1041953066.db2.gz WXMUHZKKUHPAOL-OALUTQOASA-N 2 2 395.890 3.914 20 0 GHADLP COC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@H]1c1ccccc1 ZINC001236911261 1041953068 /nfs/dbraw/zinc/95/30/68/1041953068.db2.gz WXMUHZKKUHPAOL-OALUTQOASA-N 2 2 395.890 3.914 20 0 GHADLP Oc1ccc(Br)c(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c1F ZINC001236962385 1041971313 /nfs/dbraw/zinc/97/13/13/1041971313.db2.gz OIAJOSNMGBMHTJ-UHFFFAOYSA-N 2 2 385.321 3.896 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001237042476 1042002498 /nfs/dbraw/zinc/00/24/98/1042002498.db2.gz MRTILWAHHHIUEH-UNEWFSDZSA-N 2 2 376.413 3.816 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001237042476 1042002506 /nfs/dbraw/zinc/00/25/06/1042002506.db2.gz MRTILWAHHHIUEH-UNEWFSDZSA-N 2 2 376.413 3.816 20 0 GHADLP COCCCOc1ccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1 ZINC001237288526 1042125835 /nfs/dbraw/zinc/12/58/35/1042125835.db2.gz GLBHYFYQZJPGKB-UHFFFAOYSA-N 2 2 380.532 3.739 20 0 GHADLP Fc1cc(F)cc(-c2n[nH]cc2C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)c1 ZINC001237364208 1042171653 /nfs/dbraw/zinc/17/16/53/1042171653.db2.gz RXYUZMLIRJFIQH-UHFFFAOYSA-N 2 2 380.442 3.949 20 0 GHADLP Cc1c(Cl)cccc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001237736897 1042346560 /nfs/dbraw/zinc/34/65/60/1042346560.db2.gz WBAWSPIJCZNRBW-URVUXULASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1c(Cl)cccc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001237736897 1042346567 /nfs/dbraw/zinc/34/65/67/1042346567.db2.gz WBAWSPIJCZNRBW-URVUXULASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1c(Cl)cccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001237736897 1042346573 /nfs/dbraw/zinc/34/65/73/1042346573.db2.gz WBAWSPIJCZNRBW-URVUXULASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1c(Cl)cccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001237736897 1042346578 /nfs/dbraw/zinc/34/65/78/1042346578.db2.gz WBAWSPIJCZNRBW-URVUXULASA-N 2 2 399.970 3.615 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4C4CCOCC4)C[C@H]3C2)nc1 ZINC001237901818 1042416120 /nfs/dbraw/zinc/41/61/20/1042416120.db2.gz RVIKFMNIPPMVHQ-VXKWHMMOSA-N 2 2 377.532 3.539 20 0 GHADLP COc1c(C)c[nH+]c(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001238176039 1042509857 /nfs/dbraw/zinc/50/98/57/1042509857.db2.gz KLMSAVIXWJYBRB-IEIRFRATSA-N 2 2 394.563 3.835 20 0 GHADLP COc1c(C)c[nH+]c(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001238176039 1042509862 /nfs/dbraw/zinc/50/98/62/1042509862.db2.gz KLMSAVIXWJYBRB-IEIRFRATSA-N 2 2 394.563 3.835 20 0 GHADLP COc1c(C)cnc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001238176039 1042509865 /nfs/dbraw/zinc/50/98/65/1042509865.db2.gz KLMSAVIXWJYBRB-IEIRFRATSA-N 2 2 394.563 3.835 20 0 GHADLP COc1c(C)cnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001238176039 1042509869 /nfs/dbraw/zinc/50/98/69/1042509869.db2.gz KLMSAVIXWJYBRB-IEIRFRATSA-N 2 2 394.563 3.835 20 0 GHADLP COc1c(C)cnc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001238176039 1042509871 /nfs/dbraw/zinc/50/98/71/1042509871.db2.gz KLMSAVIXWJYBRB-IEIRFRATSA-N 2 2 394.563 3.835 20 0 GHADLP COc1cc(C)cc(F)c1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001238589222 1042649485 /nfs/dbraw/zinc/64/94/85/1042649485.db2.gz WCJDEUHBPIVKLS-UHFFFAOYSA-N 2 2 388.483 3.603 20 0 GHADLP COc1cc(C)cc(F)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001238589222 1042649487 /nfs/dbraw/zinc/64/94/87/1042649487.db2.gz WCJDEUHBPIVKLS-UHFFFAOYSA-N 2 2 388.483 3.603 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)c(C)cc3OC)CC2)C1 ZINC001238759174 1042716987 /nfs/dbraw/zinc/71/69/87/1042716987.db2.gz YGHYFLCFOVWRGB-LJQANCHMSA-N 2 2 388.552 3.552 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)c(C)cc3OC)CC2)C1 ZINC001238759174 1042716993 /nfs/dbraw/zinc/71/69/93/1042716993.db2.gz YGHYFLCFOVWRGB-LJQANCHMSA-N 2 2 388.552 3.552 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256523724 1043450714 /nfs/dbraw/zinc/45/07/14/1043450714.db2.gz RRRMSXLKXWJUKM-XUZZJYLKSA-N 3 2 392.591 3.581 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256523724 1043450721 /nfs/dbraw/zinc/45/07/21/1043450721.db2.gz RRRMSXLKXWJUKM-XUZZJYLKSA-N 3 2 392.591 3.581 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(OC3CCOCC3)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC001256540129 1043487669 /nfs/dbraw/zinc/48/76/69/1043487669.db2.gz XRSOBXVOQUYBMU-CTNGQTDRSA-N 2 2 395.547 3.782 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(OC3CCOCC3)ccn2)CC[N@H+]1Cc1ccccc1 ZINC001256540129 1043487675 /nfs/dbraw/zinc/48/76/75/1043487675.db2.gz XRSOBXVOQUYBMU-CTNGQTDRSA-N 2 2 395.547 3.782 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CC(C)(CNC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256561421 1043536645 /nfs/dbraw/zinc/53/66/45/1043536645.db2.gz XSWUJHSNQRWSIE-AZUAARDMSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CC(C)(CNC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256561421 1043536655 /nfs/dbraw/zinc/53/66/55/1043536655.db2.gz XSWUJHSNQRWSIE-AZUAARDMSA-N 2 2 387.568 3.886 20 0 GHADLP COCC[N@H+](C)[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC001256568901 1043542492 /nfs/dbraw/zinc/54/24/92/1043542492.db2.gz KBUWYCSOZZFNRW-FQEVSTJZSA-N 2 2 381.992 3.812 20 0 GHADLP COCC[N@@H+](C)[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC001256568901 1043542498 /nfs/dbraw/zinc/54/24/98/1043542498.db2.gz KBUWYCSOZZFNRW-FQEVSTJZSA-N 2 2 381.992 3.812 20 0 GHADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+]C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256585786 1043555095 /nfs/dbraw/zinc/55/50/95/1043555095.db2.gz RJFSWEQDYLMXND-UHFFFAOYSA-N 2 2 396.554 3.748 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256598274 1043563235 /nfs/dbraw/zinc/56/32/35/1043563235.db2.gz QYUIKJCCOBOEKW-UXHICEINSA-N 2 2 391.531 3.588 20 0 GHADLP COc1cccc2c1CC[C@H]([N@@H+]1CCn3c(C[NH+](C)C(C)C)cnc3[C@H]1C)C2 ZINC001256651434 1043596580 /nfs/dbraw/zinc/59/65/80/1043596580.db2.gz MJTLBBMPFKQTEY-MJGOQNOKSA-N 2 2 382.552 3.666 20 0 GHADLP COc1cccc2c1CC[C@H]([N@H+]1CCn3c(C[NH+](C)C(C)C)cnc3[C@H]1C)C2 ZINC001256651434 1043596583 /nfs/dbraw/zinc/59/65/83/1043596583.db2.gz MJTLBBMPFKQTEY-MJGOQNOKSA-N 2 2 382.552 3.666 20 0 GHADLP COc1cccc2c1CC[C@H]([NH+]1CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]1C)C2 ZINC001256651434 1043596597 /nfs/dbraw/zinc/59/65/97/1043596597.db2.gz MJTLBBMPFKQTEY-MJGOQNOKSA-N 2 2 382.552 3.666 20 0 GHADLP COc1cccc2c1CC[C@H]([NH+]1CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]1C)C2 ZINC001256651434 1043596608 /nfs/dbraw/zinc/59/66/08/1043596608.db2.gz MJTLBBMPFKQTEY-MJGOQNOKSA-N 2 2 382.552 3.666 20 0 GHADLP C1=C2CCC[NH+](C3CCC([NH+]4CCOCC4)CC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001256695513 1043626991 /nfs/dbraw/zinc/62/69/91/1043626991.db2.gz CJEXLCSSCAYOAT-GXTWIAECSA-N 3 2 399.623 3.525 20 0 GHADLP C1=C2CCC[NH+](C3CCC([NH+]4CCOCC4)CC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001256695513 1043626995 /nfs/dbraw/zinc/62/69/95/1043626995.db2.gz CJEXLCSSCAYOAT-GXTWIAECSA-N 3 2 399.623 3.525 20 0 GHADLP C1=C2CCC[N@H+](C3CCC([NH+]4CCOCC4)CC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001256695513 1043627001 /nfs/dbraw/zinc/62/70/01/1043627001.db2.gz CJEXLCSSCAYOAT-GXTWIAECSA-N 3 2 399.623 3.525 20 0 GHADLP C1=C2CCC[N@@H+](C3CCC([NH+]4CCOCC4)CC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001256695513 1043627009 /nfs/dbraw/zinc/62/70/09/1043627009.db2.gz CJEXLCSSCAYOAT-GXTWIAECSA-N 3 2 399.623 3.525 20 0 GHADLP C[C@@H](Cc1ccncc1)[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001256743728 1043644319 /nfs/dbraw/zinc/64/43/19/1043644319.db2.gz SBQLWILZAKGBNF-SFHVURJKSA-N 2 2 376.504 3.691 20 0 GHADLP C[C@@H](Cc1ccncc1)[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001256743728 1043644335 /nfs/dbraw/zinc/64/43/35/1043644335.db2.gz SBQLWILZAKGBNF-SFHVURJKSA-N 2 2 376.504 3.691 20 0 GHADLP C[C@@H](Cc1ccncc1)[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001256743728 1043644345 /nfs/dbraw/zinc/64/43/45/1043644345.db2.gz SBQLWILZAKGBNF-SFHVURJKSA-N 2 2 376.504 3.691 20 0 GHADLP C[C@@H](Cc1ccncc1)[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001256743728 1043644355 /nfs/dbraw/zinc/64/43/55/1043644355.db2.gz SBQLWILZAKGBNF-SFHVURJKSA-N 2 2 376.504 3.691 20 0 GHADLP c1ccc([C@H]2C[C@@H]([NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)CCO2)cc1 ZINC001256807361 1043662192 /nfs/dbraw/zinc/66/21/92/1043662192.db2.gz AGYXIDACJKCKPM-NAVOZUGXSA-N 2 2 377.532 3.756 20 0 GHADLP c1ccc([C@H]2C[C@@H]([NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)CCO2)cc1 ZINC001256807361 1043662197 /nfs/dbraw/zinc/66/21/97/1043662197.db2.gz AGYXIDACJKCKPM-NAVOZUGXSA-N 2 2 377.532 3.756 20 0 GHADLP c1ccc([C@H]2C[C@@H]([N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)CCO2)cc1 ZINC001256807361 1043662206 /nfs/dbraw/zinc/66/22/06/1043662206.db2.gz AGYXIDACJKCKPM-NAVOZUGXSA-N 2 2 377.532 3.756 20 0 GHADLP c1ccc([C@H]2C[C@@H]([N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)CCO2)cc1 ZINC001256807361 1043662211 /nfs/dbraw/zinc/66/22/11/1043662211.db2.gz AGYXIDACJKCKPM-NAVOZUGXSA-N 2 2 377.532 3.756 20 0 GHADLP c1ccc([C@H]2C[C@H]([NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)CCO2)cc1 ZINC001256807367 1043662799 /nfs/dbraw/zinc/66/27/99/1043662799.db2.gz AGYXIDACJKCKPM-UEQSERJNSA-N 2 2 377.532 3.756 20 0 GHADLP c1ccc([C@H]2C[C@H]([NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)CCO2)cc1 ZINC001256807367 1043662811 /nfs/dbraw/zinc/66/28/11/1043662811.db2.gz AGYXIDACJKCKPM-UEQSERJNSA-N 2 2 377.532 3.756 20 0 GHADLP c1ccc([C@H]2C[C@H]([N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)CCO2)cc1 ZINC001256807367 1043662828 /nfs/dbraw/zinc/66/28/28/1043662828.db2.gz AGYXIDACJKCKPM-UEQSERJNSA-N 2 2 377.532 3.756 20 0 GHADLP c1ccc([C@H]2C[C@H]([N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)CCO2)cc1 ZINC001256807367 1043662834 /nfs/dbraw/zinc/66/28/34/1043662834.db2.gz AGYXIDACJKCKPM-UEQSERJNSA-N 2 2 377.532 3.756 20 0 GHADLP COc1ccc(F)c(CN2CCC([NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC001256907806 1043734485 /nfs/dbraw/zinc/73/44/85/1043734485.db2.gz ISVCQAXGMXCYPO-FQEVSTJZSA-N 2 2 389.559 3.795 20 0 GHADLP COc1ccc(F)c(CN2CCC([NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001256907806 1043734495 /nfs/dbraw/zinc/73/44/95/1043734495.db2.gz ISVCQAXGMXCYPO-FQEVSTJZSA-N 2 2 389.559 3.795 20 0 GHADLP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC001256941488 1043764053 /nfs/dbraw/zinc/76/40/53/1043764053.db2.gz UCPHABFPGUFNRJ-RTBURBONSA-N 2 2 384.524 3.693 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCc3[nH+]ccn3CC2)C[C@@H]1c1ccccc1 ZINC001256949991 1043768678 /nfs/dbraw/zinc/76/86/78/1043768678.db2.gz CCDCVZQRRAGLQH-VQTJNVASSA-N 2 2 396.535 3.882 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)C[C@@H]1c1ccccc1 ZINC001256949991 1043768687 /nfs/dbraw/zinc/76/86/87/1043768687.db2.gz CCDCVZQRRAGLQH-VQTJNVASSA-N 2 2 396.535 3.882 20 0 GHADLP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C1 ZINC001257062117 1043825434 /nfs/dbraw/zinc/82/54/34/1043825434.db2.gz KFYRAVRTKLVEHS-DOTOQJQBSA-N 2 2 387.911 3.742 20 0 GHADLP CC(C)[NH+]1CCC([NH+]2CCC([NH3+])(Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001257212425 1043939047 /nfs/dbraw/zinc/93/90/47/1043939047.db2.gz UWELDWOFBXHLFC-UHFFFAOYSA-N 3 2 383.502 3.914 20 0 GHADLP CC1(C)CN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001293053358 1044003108 /nfs/dbraw/zinc/00/31/08/1044003108.db2.gz QQOAHDMNDVLWQB-UHFFFAOYSA-N 2 2 388.515 3.538 20 0 GHADLP CC1(C)CN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001293053358 1044003122 /nfs/dbraw/zinc/00/31/22/1044003122.db2.gz QQOAHDMNDVLWQB-UHFFFAOYSA-N 2 2 388.515 3.538 20 0 GHADLP CCC[C@H](C)CC[C@H](C)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001257480554 1044012696 /nfs/dbraw/zinc/01/26/96/1044012696.db2.gz XRQKHLXIDGJSBY-SLFFLAALSA-N 2 2 375.605 3.612 20 0 GHADLP CCC[C@H](C)CC[C@H](C)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001257480554 1044012700 /nfs/dbraw/zinc/01/27/00/1044012700.db2.gz XRQKHLXIDGJSBY-SLFFLAALSA-N 2 2 375.605 3.612 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@@H]([NH2+]CCOc1cc[nH+]cc1)C2 ZINC001257804686 1044187981 /nfs/dbraw/zinc/18/79/81/1044187981.db2.gz OVDXHMOLWZGYOB-DYESRHJHSA-N 2 2 375.513 3.620 20 0 GHADLP Fc1cc(Cl)cc(F)c1C[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279064998 1044306669 /nfs/dbraw/zinc/30/66/69/1044306669.db2.gz PNKZWGKFDZXFTK-UHFFFAOYSA-N 2 2 380.870 3.829 20 0 GHADLP Fc1cc(Cl)cc(F)c1C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279064998 1044306680 /nfs/dbraw/zinc/30/66/80/1044306680.db2.gz PNKZWGKFDZXFTK-UHFFFAOYSA-N 2 2 380.870 3.829 20 0 GHADLP COC(=O)C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(OC)c1 ZINC001258137208 1044422613 /nfs/dbraw/zinc/42/26/13/1044422613.db2.gz FBZIWUDAUREYCW-QHCPKHFHSA-N 2 2 396.531 3.596 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258146026 1044433186 /nfs/dbraw/zinc/43/31/86/1044433186.db2.gz PMWTYODJHIHMSP-NRFANRHFSA-N 2 2 387.568 3.683 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258146026 1044433195 /nfs/dbraw/zinc/43/31/95/1044433195.db2.gz PMWTYODJHIHMSP-NRFANRHFSA-N 2 2 387.568 3.683 20 0 GHADLP COc1ccc(OC2CC[NH+](C3CC[NH+](CCc4ccccc4)CC3)CC2)nc1 ZINC001258149880 1044441293 /nfs/dbraw/zinc/44/12/93/1044441293.db2.gz RVDYVTMRSCOYAK-UHFFFAOYSA-N 2 2 395.547 3.641 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1CCN(c3cccc(F)c3)CC1)[C@H]2C ZINC001258424335 1044557508 /nfs/dbraw/zinc/55/75/08/1044557508.db2.gz XTEDHLPZOGHHGZ-SFHVURJKSA-N 2 2 399.558 3.908 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CCN(c3cccc(F)c3)CC1)[C@H]2C ZINC001258424335 1044557517 /nfs/dbraw/zinc/55/75/17/1044557517.db2.gz XTEDHLPZOGHHGZ-SFHVURJKSA-N 2 2 399.558 3.908 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C1CCN(c3cccc(F)c3)CC1)[C@H]2C ZINC001258424335 1044557535 /nfs/dbraw/zinc/55/75/35/1044557535.db2.gz XTEDHLPZOGHHGZ-SFHVURJKSA-N 2 2 399.558 3.908 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1CCN(c3cccc(F)c3)CC1)[C@H]2C ZINC001258424335 1044557543 /nfs/dbraw/zinc/55/75/43/1044557543.db2.gz XTEDHLPZOGHHGZ-SFHVURJKSA-N 2 2 399.558 3.908 20 0 GHADLP Cc1[nH+]cn([C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c1CSCC[NH3+] ZINC001258550696 1044628821 /nfs/dbraw/zinc/62/88/21/1044628821.db2.gz SJUNWWXQAOLHMM-OAHLLOKOSA-N 2 2 382.574 3.734 20 0 GHADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258575280 1044650673 /nfs/dbraw/zinc/65/06/73/1044650673.db2.gz BNWYNBJCAAZQNH-YPAWHYETSA-N 2 2 392.547 3.739 20 0 GHADLP COc1cc(C[C@H](C)n2c[nH+]cc2-c2ccc(C[NH3+])cc2)cc(OC)c1OC ZINC001258866168 1044807566 /nfs/dbraw/zinc/80/75/66/1044807566.db2.gz ZPQWCUVDMQTHQT-HNNXBMFYSA-N 2 2 381.476 3.838 20 0 GHADLP Cc1cc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)c(C(C)C)cc1Cl ZINC000566968852 1046047411 /nfs/dbraw/zinc/04/74/11/1046047411.db2.gz JTFBKANAEDBDEZ-IRXDYDNUSA-N 2 2 391.943 3.875 20 0 GHADLP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001300921143 1046243440 /nfs/dbraw/zinc/24/34/40/1046243440.db2.gz ORYAVQIBGPXFMF-FGZHOGPDSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001300921143 1046243460 /nfs/dbraw/zinc/24/34/60/1046243460.db2.gz ORYAVQIBGPXFMF-FGZHOGPDSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001300921143 1046243471 /nfs/dbraw/zinc/24/34/71/1046243471.db2.gz ORYAVQIBGPXFMF-FGZHOGPDSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001300921143 1046243485 /nfs/dbraw/zinc/24/34/85/1046243485.db2.gz ORYAVQIBGPXFMF-FGZHOGPDSA-N 2 2 387.543 3.703 20 0 GHADLP Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1C ZINC001262558760 1046268577 /nfs/dbraw/zinc/26/85/77/1046268577.db2.gz PCOVSEWCSOYBHW-VXKWHMMOSA-N 2 2 393.531 3.659 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1)c1ccccc1 ZINC001301662791 1046648205 /nfs/dbraw/zinc/64/82/05/1046648205.db2.gz QEQJXSXSSDDSIO-SFTDATJTSA-N 2 2 385.939 3.896 20 0 GHADLP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3cc(Cl)ccc3F)CC2)C1 ZINC001279383929 1047787469 /nfs/dbraw/zinc/78/74/69/1047787469.db2.gz HKOFSAQXWHSPME-UHFFFAOYSA-N 2 2 384.923 3.778 20 0 GHADLP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3cc(Cl)ccc3F)CC2)C1 ZINC001279383929 1047787474 /nfs/dbraw/zinc/78/74/74/1047787474.db2.gz HKOFSAQXWHSPME-UHFFFAOYSA-N 2 2 384.923 3.778 20 0 GHADLP Brc1nc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)cs1 ZINC001279385853 1047789423 /nfs/dbraw/zinc/78/94/23/1047789423.db2.gz HJGGULJADFWNGK-OKILXGFUSA-N 2 2 395.370 3.578 20 0 GHADLP Brc1nc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)cs1 ZINC001279385853 1047789432 /nfs/dbraw/zinc/78/94/32/1047789432.db2.gz HJGGULJADFWNGK-OKILXGFUSA-N 2 2 395.370 3.578 20 0 GHADLP Brc1nc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)cs1 ZINC001279385853 1047789439 /nfs/dbraw/zinc/78/94/39/1047789439.db2.gz HJGGULJADFWNGK-OKILXGFUSA-N 2 2 395.370 3.578 20 0 GHADLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1c(F)ccc(O)c1F)CC2 ZINC001279499023 1047825489 /nfs/dbraw/zinc/82/54/89/1047825489.db2.gz UMLHXYBJHNTDCC-UHFFFAOYSA-N 2 2 379.476 3.533 20 0 GHADLP CC(C)(C[NH+]1CC2(CCN2CCn2cc[nH+]c2)C1)Sc1ccc(Cl)cc1 ZINC001279593759 1047857712 /nfs/dbraw/zinc/85/77/12/1047857712.db2.gz PZAFXPNZMPTINM-UHFFFAOYSA-N 2 2 390.984 3.868 20 0 GHADLP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(Cl)ccnc3Cl)(C1)CCC2 ZINC001279718232 1047933096 /nfs/dbraw/zinc/93/30/96/1047933096.db2.gz UAIMHYRZLHHQTQ-MSOLQXFVSA-N 2 2 388.339 3.534 20 0 GHADLP COC(=O)c1csc(C[NH+]2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)n1 ZINC001280015094 1048050774 /nfs/dbraw/zinc/05/07/74/1048050774.db2.gz BSMJENVNWCOTDA-UHFFFAOYSA-N 2 2 377.554 3.550 20 0 GHADLP COC(=O)c1csc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)n1 ZINC001280015094 1048050783 /nfs/dbraw/zinc/05/07/83/1048050783.db2.gz BSMJENVNWCOTDA-UHFFFAOYSA-N 2 2 377.554 3.550 20 0 GHADLP CCc1c[nH]c2nc[nH+]c(N[C@H](CC)[C@H]3C[N@H+](Cc4ccccc4)CCO3)c12 ZINC001306991944 1048995434 /nfs/dbraw/zinc/99/54/34/1048995434.db2.gz MFJGRKSIUHUBIF-RTBURBONSA-N 2 2 379.508 3.612 20 0 GHADLP CCc1c[nH]c2nc[nH+]c(N[C@H](CC)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)c12 ZINC001306991944 1048995437 /nfs/dbraw/zinc/99/54/37/1048995437.db2.gz MFJGRKSIUHUBIF-RTBURBONSA-N 2 2 379.508 3.612 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](C)CC(C)(C)C3)CC2)cc1 ZINC001307605751 1049444555 /nfs/dbraw/zinc/44/45/55/1049444555.db2.gz AXYWDQFLOYUGIA-HXUWFJFHSA-N 2 2 385.596 3.822 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](C)CC(C)(C)C3)CC2)cc1 ZINC001307605751 1049444559 /nfs/dbraw/zinc/44/45/59/1049444559.db2.gz AXYWDQFLOYUGIA-HXUWFJFHSA-N 2 2 385.596 3.822 20 0 GHADLP COC(=O)c1ccc(F)c(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC001307658800 1049483835 /nfs/dbraw/zinc/48/38/35/1049483835.db2.gz LRMVTBTYDATYQH-IAGOWNOFSA-N 2 2 384.495 3.859 20 0 GHADLP Fc1ccc2ccc(C[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)nc2c1F ZINC001308197616 1049909044 /nfs/dbraw/zinc/90/90/44/1049909044.db2.gz KLFLGHADUSCQFZ-UHFFFAOYSA-N 2 2 396.485 3.815 20 0 GHADLP COC[C@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1ccccc1 ZINC001308334848 1049951793 /nfs/dbraw/zinc/95/17/93/1049951793.db2.gz KTFXKPZSOFARIF-KRWDZBQOSA-N 2 2 378.419 3.547 20 0 GHADLP O[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(OC(F)(F)F)cc1 ZINC001308403955 1049968135 /nfs/dbraw/zinc/96/81/35/1049968135.db2.gz KXAPARRTHPTWJH-MRXNPFEDSA-N 2 2 383.395 3.656 20 0 GHADLP OC1(C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)CCC(F)(F)CC1 ZINC001308473824 1049984580 /nfs/dbraw/zinc/98/45/80/1049984580.db2.gz RBZCHIYNIFZKGV-UHFFFAOYSA-N 2 2 399.869 3.646 20 0 GHADLP Cc1cccnc1[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(C)(C)C ZINC001308543495 1050004094 /nfs/dbraw/zinc/00/40/94/1050004094.db2.gz HWXRGBWKBGFTJW-HSZRJFAPSA-N 2 2 397.563 3.978 20 0 GHADLP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001335865574 1052193611 /nfs/dbraw/zinc/19/36/11/1052193611.db2.gz GGJGBPYNEZBLRC-UXHICEINSA-N 2 2 379.508 3.596 20 0 GHADLP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001335972478 1052209736 /nfs/dbraw/zinc/20/97/36/1052209736.db2.gz IRKLUHVQYJQVMB-PBFPGSCMSA-N 2 2 385.733 3.543 20 0 GHADLP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001335972478 1052209745 /nfs/dbraw/zinc/20/97/45/1052209745.db2.gz IRKLUHVQYJQVMB-PBFPGSCMSA-N 2 2 385.733 3.543 20 0 GHADLP CCn1c(=S)n(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)nc1-c1cccs1 ZINC001336267368 1052249154 /nfs/dbraw/zinc/24/91/54/1052249154.db2.gz HITDOZYORZKCEY-ARFHVFGLSA-N 2 2 391.610 3.782 20 0 GHADLP CCn1c(=S)n(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)nc1-c1cccs1 ZINC001336267368 1052249167 /nfs/dbraw/zinc/24/91/67/1052249167.db2.gz HITDOZYORZKCEY-ARFHVFGLSA-N 2 2 391.610 3.782 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)[NH+](CC)CC)cc1 ZINC001312787321 1052869533 /nfs/dbraw/zinc/86/95/33/1052869533.db2.gz SSDOTLJYMYMQOX-FGZHOGPDSA-N 2 2 397.567 3.875 20 0 GHADLP CC[NH+](CC)C1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)CC1 ZINC001317879811 1054288487 /nfs/dbraw/zinc/28/84/87/1054288487.db2.gz CIPIYAVRENRPQN-OAQYLSRUSA-N 2 2 376.585 3.838 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COc1ccc(C(F)(F)F)cc1 ZINC001318497249 1054679656 /nfs/dbraw/zinc/67/96/56/1054679656.db2.gz HOVWQNIHZVMYNU-UHFFFAOYSA-N 2 2 376.338 3.612 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2)cn1 ZINC001318885841 1054934676 /nfs/dbraw/zinc/93/46/76/1054934676.db2.gz HSPUQYWNYHHEKP-NRFANRHFSA-N 2 2 389.503 3.877 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)cn1 ZINC001318885841 1054934684 /nfs/dbraw/zinc/93/46/84/1054934684.db2.gz HSPUQYWNYHHEKP-NRFANRHFSA-N 2 2 389.503 3.877 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001319767721 1055456255 /nfs/dbraw/zinc/45/62/55/1055456255.db2.gz UNVHKVUFGGMDDM-KRWDZBQOSA-N 2 2 391.258 3.945 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001322403266 1056679849 /nfs/dbraw/zinc/67/98/49/1056679849.db2.gz YPXAZDYZOSLCRJ-SFHVURJKSA-N 2 2 375.520 3.797 20 0 GHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCC[NH+]2CC=CC2)n1 ZINC001323190895 1056936478 /nfs/dbraw/zinc/93/64/78/1056936478.db2.gz WXSKDWUYVCIBFM-UHFFFAOYSA-N 2 2 379.533 3.704 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1coc(-c2ccccc2)n1 ZINC001323990313 1057050188 /nfs/dbraw/zinc/05/01/88/1057050188.db2.gz GSYKOFKPWIYXAA-GCJKJVERSA-N 2 2 376.504 3.779 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1coc(-c2ccccc2)n1 ZINC001323990313 1057050191 /nfs/dbraw/zinc/05/01/91/1057050191.db2.gz GSYKOFKPWIYXAA-GCJKJVERSA-N 2 2 376.504 3.779 20 0 GHADLP CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1ccccc1F ZINC001324244417 1057096864 /nfs/dbraw/zinc/09/68/64/1057096864.db2.gz OGGMCYMJTDANPW-UHFFFAOYSA-N 2 2 397.538 3.737 20 0 GHADLP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1ccccc1F ZINC001324244417 1057096874 /nfs/dbraw/zinc/09/68/74/1057096874.db2.gz OGGMCYMJTDANPW-UHFFFAOYSA-N 2 2 397.538 3.737 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000848519146 1057145286 /nfs/dbraw/zinc/14/52/86/1057145286.db2.gz PUBMUTUVAPTHAW-WOJBJXKFSA-N 2 2 384.524 3.857 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3C)nc1)CCC2 ZINC000848520401 1057145373 /nfs/dbraw/zinc/14/53/73/1057145373.db2.gz IRTASCGMEJLKOR-HXUWFJFHSA-N 2 2 376.460 3.530 20 0 GHADLP Cc1cc(NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)[nH+]c2ccccc12 ZINC001325566891 1057342228 /nfs/dbraw/zinc/34/22/28/1057342228.db2.gz ZQIRRKUSLSNGLZ-UHFFFAOYSA-N 2 2 388.515 3.853 20 0 GHADLP C[N@H+](CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)Cc1ccc(F)cc1 ZINC000849096813 1057592401 /nfs/dbraw/zinc/59/24/01/1057592401.db2.gz YHWQJLXZMDUDBU-UHFFFAOYSA-N 2 2 382.405 3.590 20 0 GHADLP C[N@@H+](CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)Cc1ccc(F)cc1 ZINC000849096813 1057592410 /nfs/dbraw/zinc/59/24/10/1057592410.db2.gz YHWQJLXZMDUDBU-UHFFFAOYSA-N 2 2 382.405 3.590 20 0 GHADLP C[C@H](c1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)o2)cc1)[NH+]1CCOCC1 ZINC001443696887 1059176632 /nfs/dbraw/zinc/17/66/32/1059176632.db2.gz FGDZZMWTYVLHHK-QGZVFWFLSA-N 2 2 383.492 3.521 20 0 GHADLP C[C@H](C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC001448620214 1060230895 /nfs/dbraw/zinc/23/08/95/1060230895.db2.gz LDOLFCUNHITNLO-KZNAEPCWSA-N 2 2 388.943 3.827 20 0 GHADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001450619489 1060637267 /nfs/dbraw/zinc/63/72/67/1060637267.db2.gz CGRSHIMWDWHNIK-NRSPTQNISA-N 2 2 380.536 3.689 20 0 GHADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001450619489 1060637271 /nfs/dbraw/zinc/63/72/71/1060637271.db2.gz CGRSHIMWDWHNIK-NRSPTQNISA-N 2 2 380.536 3.689 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccccc3-c3ccccc3)CC2)CC1 ZINC001451677804 1060814076 /nfs/dbraw/zinc/81/40/76/1060814076.db2.gz VVPTWEONJLILAW-UHFFFAOYSA-N 2 2 391.559 3.986 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccccc3-c3ccccc3)CC2)CC1 ZINC001451677804 1060814096 /nfs/dbraw/zinc/81/40/96/1060814096.db2.gz VVPTWEONJLILAW-UHFFFAOYSA-N 2 2 391.559 3.986 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(Br)c1 ZINC001346016614 1061290682 /nfs/dbraw/zinc/29/06/82/1061290682.db2.gz DNRYNNVGBIODTL-HNNXBMFYSA-N 2 2 394.357 3.550 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(Br)c1 ZINC001346016614 1061290696 /nfs/dbraw/zinc/29/06/96/1061290696.db2.gz DNRYNNVGBIODTL-HNNXBMFYSA-N 2 2 394.357 3.550 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001456345078 1062629348 /nfs/dbraw/zinc/62/93/48/1062629348.db2.gz VLDVZMXNPWIMEF-TZIWHRDSSA-N 2 2 382.552 3.944 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001456345078 1062629356 /nfs/dbraw/zinc/62/93/56/1062629356.db2.gz VLDVZMXNPWIMEF-TZIWHRDSSA-N 2 2 382.552 3.944 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c2c1CCC2 ZINC001458870074 1063952386 /nfs/dbraw/zinc/95/23/86/1063952386.db2.gz AKVNANZJSGAUNS-DNQXCXABSA-N 2 2 397.607 3.893 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2c1CCC2 ZINC001458870074 1063952389 /nfs/dbraw/zinc/95/23/89/1063952389.db2.gz AKVNANZJSGAUNS-DNQXCXABSA-N 2 2 397.607 3.893 20 0 GHADLP CCCCCCO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001458883351 1063955137 /nfs/dbraw/zinc/95/51/37/1063955137.db2.gz XPEACWQGAYGIKG-HJNYFJLDSA-N 2 2 395.632 3.767 20 0 GHADLP CCCCCCO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001458883351 1063955143 /nfs/dbraw/zinc/95/51/43/1063955143.db2.gz XPEACWQGAYGIKG-HJNYFJLDSA-N 2 2 395.632 3.767 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC001438196900 1064004579 /nfs/dbraw/zinc/00/45/79/1064004579.db2.gz JXAGALYBGMCVRN-IBGZPJMESA-N 2 2 381.520 3.785 20 0 GHADLP COC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC001459762208 1064205092 /nfs/dbraw/zinc/20/50/92/1064205092.db2.gz HDGHRGMXHGKQIF-GOSISDBHSA-N 2 2 386.458 3.973 20 0 GHADLP COc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC(C)C ZINC001459854297 1064243387 /nfs/dbraw/zinc/24/33/87/1064243387.db2.gz SFRXNBAYZSCORT-DVECYGJZSA-N 2 2 398.547 3.770 20 0 GHADLP COc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC(C)C ZINC001459854297 1064243389 /nfs/dbraw/zinc/24/33/89/1064243389.db2.gz SFRXNBAYZSCORT-DVECYGJZSA-N 2 2 398.547 3.770 20 0 GHADLP C[NH+](C)CCc1ccccc1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001466216551 1066039968 /nfs/dbraw/zinc/03/99/68/1066039968.db2.gz VSDGWMDZXZWILF-UHFFFAOYSA-N 2 2 397.910 3.952 20 0 GHADLP C[NH+](C)CC[C@@H](NC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)C(C)(C)C ZINC001468759361 1067864097 /nfs/dbraw/zinc/86/40/97/1067864097.db2.gz DVTRDSKFFKSWCL-PKOBYXMFSA-N 2 2 391.604 3.894 20 0 GHADLP CC[NH+](CC)CC[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC001469334526 1068108750 /nfs/dbraw/zinc/10/87/50/1068108750.db2.gz RAXWLKZIEGERQX-HXUWFJFHSA-N 2 2 379.508 3.607 20 0 GHADLP CC[NH+](CC)CC[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC001469334524 1068109049 /nfs/dbraw/zinc/10/90/49/1068109049.db2.gz RAXWLKZIEGERQX-FQEVSTJZSA-N 2 2 379.508 3.607 20 0 GHADLP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1(C)C ZINC001460128783 1068798047 /nfs/dbraw/zinc/79/80/47/1068798047.db2.gz SCTBJNVGBRQEJO-FFZOFVMBSA-N 2 2 379.976 3.501 20 0 GHADLP Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](c4c[nH+]cn4C(C)(C)C)C3)C2=O)cc1 ZINC001460973191 1069307771 /nfs/dbraw/zinc/30/77/71/1069307771.db2.gz LUPORLLASAWYPQ-AZUAARDMSA-N 2 2 380.536 3.931 20 0 GHADLP Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H](c4c[nH+]cn4C(C)(C)C)C3)C2=O)cc1 ZINC001460973191 1069307786 /nfs/dbraw/zinc/30/77/86/1069307786.db2.gz LUPORLLASAWYPQ-AZUAARDMSA-N 2 2 380.536 3.931 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)CCOC(=O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001473206581 1073860847 /nfs/dbraw/zinc/86/08/47/1073860847.db2.gz SNCQQYXZIQWSKB-NZQKXSOJSA-N 2 2 380.532 3.757 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)CCOC(=O)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001473206581 1073860855 /nfs/dbraw/zinc/86/08/55/1073860855.db2.gz SNCQQYXZIQWSKB-NZQKXSOJSA-N 2 2 380.532 3.757 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)CCOC(=O)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001473206581 1073860864 /nfs/dbraw/zinc/86/08/64/1073860864.db2.gz SNCQQYXZIQWSKB-NZQKXSOJSA-N 2 2 380.532 3.757 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)CCOC(=O)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001473206581 1073860878 /nfs/dbraw/zinc/86/08/78/1073860878.db2.gz SNCQQYXZIQWSKB-NZQKXSOJSA-N 2 2 380.532 3.757 20 0 GHADLP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001473264328 1073896985 /nfs/dbraw/zinc/89/69/85/1073896985.db2.gz ODJZYIXVWFWHDZ-ZWKOTPCHSA-N 2 2 389.927 3.668 20 0 GHADLP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001473264328 1073896988 /nfs/dbraw/zinc/89/69/88/1073896988.db2.gz ODJZYIXVWFWHDZ-ZWKOTPCHSA-N 2 2 389.927 3.668 20 0 GHADLP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001473586656 1074033121 /nfs/dbraw/zinc/03/31/21/1074033121.db2.gz VGHQNONYLCANPA-AWEZNQCLSA-N 2 2 393.318 3.928 20 0 GHADLP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001473586656 1074033128 /nfs/dbraw/zinc/03/31/28/1074033128.db2.gz VGHQNONYLCANPA-AWEZNQCLSA-N 2 2 393.318 3.928 20 0 GHADLP COc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)c(C)c1OC ZINC001473920548 1074204171 /nfs/dbraw/zinc/20/41/71/1074204171.db2.gz ZSFZYOXNDAYOGG-UHFFFAOYSA-N 2 2 397.563 3.623 20 0 GHADLP Cc1nn(C(C)C)c(C)c1C[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC001473920029 1074204195 /nfs/dbraw/zinc/20/41/95/1074204195.db2.gz AWWRCZQBENLZSZ-UHFFFAOYSA-N 2 2 383.584 3.691 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1C(F)(F)F ZINC001474155499 1074278601 /nfs/dbraw/zinc/27/86/01/1074278601.db2.gz KAPFHNGLKCPFOI-LJQANCHMSA-N 2 2 378.438 3.523 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)ccc1C(F)(F)F ZINC001474155499 1074278607 /nfs/dbraw/zinc/27/86/07/1074278607.db2.gz KAPFHNGLKCPFOI-LJQANCHMSA-N 2 2 378.438 3.523 20 0 GHADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nc2c(s1)C[C@H](C)CC2 ZINC001474184140 1074286372 /nfs/dbraw/zinc/28/63/72/1074286372.db2.gz AIZATALFQIMYBD-YFVAEKQCSA-N 2 2 399.604 3.895 20 0 GHADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nc2c(s1)C[C@H](C)CC2 ZINC001474184140 1074286374 /nfs/dbraw/zinc/28/63/74/1074286374.db2.gz AIZATALFQIMYBD-YFVAEKQCSA-N 2 2 399.604 3.895 20 0 GHADLP COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001474343858 1074353757 /nfs/dbraw/zinc/35/37/57/1074353757.db2.gz WWVWFFMEWWUZFU-QHCPKHFHSA-N 2 2 396.531 3.743 20 0 GHADLP COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001474343858 1074353765 /nfs/dbraw/zinc/35/37/65/1074353765.db2.gz WWVWFFMEWWUZFU-QHCPKHFHSA-N 2 2 396.531 3.743 20 0 GHADLP C[C@@H]([NH2+]Cc1ncc(Br)cc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001474397090 1074384652 /nfs/dbraw/zinc/38/46/52/1074384652.db2.gz SAYPSPBODNTNCF-ZBFHGGJFSA-N 2 2 390.325 3.550 20 0 GHADLP C[C@@H]([NH2+]Cc1ncc(Br)cc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001474397090 1074384674 /nfs/dbraw/zinc/38/46/74/1074384674.db2.gz SAYPSPBODNTNCF-ZBFHGGJFSA-N 2 2 390.325 3.550 20 0 GHADLP CCc1ccc(N2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)cc1Cl ZINC001474519667 1074446390 /nfs/dbraw/zinc/44/63/90/1074446390.db2.gz PMHUSXCEWDDQFE-UHFFFAOYSA-N 2 2 381.911 3.805 20 0 GHADLP COc1ncc(Br)cc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC001474632169 1074491852 /nfs/dbraw/zinc/49/18/52/1074491852.db2.gz VOQKPRFUYHZTBQ-KBXCAEBGSA-N 2 2 396.373 3.985 20 0 GHADLP CCC(CC)(C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)[NH2+][C@H](C)c1ccccc1 ZINC000736333687 598887612 /nfs/dbraw/zinc/88/76/12/598887612.db2.gz BNZUICRCQVJQOT-QGZVFWFLSA-N 2 2 378.524 3.866 20 0 GHADLP c1cc(-c2cccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)c2)sc1-c1nn[nH]n1 ZINC000823752370 607072185 /nfs/dbraw/zinc/07/21/85/607072185.db2.gz ZBJVJCFOQNDHFW-UHFFFAOYSA-N 2 2 394.548 3.559 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000824532473 609147393 /nfs/dbraw/zinc/14/73/93/609147393.db2.gz UTBQBBHXGOKDDL-KBPBESRZSA-N 2 2 377.427 3.603 20 0 GHADLP Cc1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C)c(C)[nH+]1 ZINC001164842320 720721826 /nfs/dbraw/zinc/72/18/26/720721826.db2.gz YGFMZBDKWDYHGK-NRFANRHFSA-N 2 2 380.536 3.662 20 0 GHADLP Cc1nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C)c(C)[nH+]1 ZINC001164842320 720721845 /nfs/dbraw/zinc/72/18/45/720721845.db2.gz YGFMZBDKWDYHGK-NRFANRHFSA-N 2 2 380.536 3.662 20 0 GHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000310993171 837422059 /nfs/dbraw/zinc/42/20/59/837422059.db2.gz MEEIBAJEIAGGDZ-HXUWFJFHSA-N 2 2 384.524 3.689 20 0 GHADLP O[C@H](C[NH2+]Cc1cc(-c2ccccc2)cs1)C[N@@H+]1CCc2ccccc2C1 ZINC000237957578 837505741 /nfs/dbraw/zinc/50/57/41/837505741.db2.gz UOZHXMNJUSPMNH-JOCHJYFZSA-N 2 2 378.541 3.924 20 0 GHADLP O[C@H](C[NH2+]Cc1cc(-c2ccccc2)cs1)C[N@H+]1CCc2ccccc2C1 ZINC000237957578 837505747 /nfs/dbraw/zinc/50/57/47/837505747.db2.gz UOZHXMNJUSPMNH-JOCHJYFZSA-N 2 2 378.541 3.924 20 0 GHADLP CCCCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1OC ZINC000655700058 837690695 /nfs/dbraw/zinc/69/06/95/837690695.db2.gz CLSDQERSEKOSJJ-FXAWDEMLSA-N 2 2 376.541 3.778 20 0 GHADLP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000173391403 837702904 /nfs/dbraw/zinc/70/29/04/837702904.db2.gz RONYZPCHVBZHMB-QGZVFWFLSA-N 2 2 392.975 3.651 20 0 GHADLP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCS2 ZINC000655717211 837727391 /nfs/dbraw/zinc/72/73/91/837727391.db2.gz YAAHSCDQNHLAHN-WBVHZDCISA-N 2 2 397.382 3.829 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000569630273 834458560 /nfs/dbraw/zinc/45/85/60/834458560.db2.gz XLGQFJRORVJWTO-AEFFLSMTSA-N 2 2 387.487 3.845 20 0 GHADLP Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683116094 834523648 /nfs/dbraw/zinc/52/36/48/834523648.db2.gz NTYZZMDJPBUGTI-DYXWJJEUSA-N 2 2 383.580 3.603 20 0 GHADLP Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683116094 834523656 /nfs/dbraw/zinc/52/36/56/834523656.db2.gz NTYZZMDJPBUGTI-DYXWJJEUSA-N 2 2 383.580 3.603 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(CC)CCC(F)(F)CC3)CC2)CC1 ZINC000616381286 834728154 /nfs/dbraw/zinc/72/81/54/834728154.db2.gz MLHYSKNDDGXXEO-UHFFFAOYSA-N 2 2 385.543 3.611 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(CC)CCC(F)(F)CC3)CC2)CC1 ZINC000616381286 834728161 /nfs/dbraw/zinc/72/81/61/834728161.db2.gz MLHYSKNDDGXXEO-UHFFFAOYSA-N 2 2 385.543 3.611 20 0 GHADLP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000140008471 834769596 /nfs/dbraw/zinc/76/95/96/834769596.db2.gz OVUYXUJPDXQJAE-QGZVFWFLSA-N 2 2 380.517 3.576 20 0 GHADLP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000140008471 834769606 /nfs/dbraw/zinc/76/96/06/834769606.db2.gz OVUYXUJPDXQJAE-QGZVFWFLSA-N 2 2 380.517 3.576 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000143397037 834795030 /nfs/dbraw/zinc/79/50/30/834795030.db2.gz LWBZWQKNZYNXBR-HXUWFJFHSA-N 2 2 392.478 3.540 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000143397037 834795033 /nfs/dbraw/zinc/79/50/33/834795033.db2.gz LWBZWQKNZYNXBR-HXUWFJFHSA-N 2 2 392.478 3.540 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157226931 834811892 /nfs/dbraw/zinc/81/18/92/834811892.db2.gz YMSNMZHFUPKQMY-CEXWTWQISA-N 2 2 375.582 3.750 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157226931 834811900 /nfs/dbraw/zinc/81/19/00/834811900.db2.gz YMSNMZHFUPKQMY-CEXWTWQISA-N 2 2 375.582 3.750 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCCCn1cc[nH+]c1 ZINC000057376544 837830233 /nfs/dbraw/zinc/83/02/33/837830233.db2.gz HIZGEMLAHIUKEZ-IBGZPJMESA-N 2 2 383.540 3.537 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCCCn1cc[nH+]c1 ZINC000057376544 837830246 /nfs/dbraw/zinc/83/02/46/837830246.db2.gz HIZGEMLAHIUKEZ-IBGZPJMESA-N 2 2 383.540 3.537 20 0 GHADLP C[NH+](C)[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655757668 837830335 /nfs/dbraw/zinc/83/03/35/837830335.db2.gz WROIUNCNNKYPPR-WOJBJXKFSA-N 2 2 399.501 3.541 20 0 GHADLP CN(C)[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655757668 837830348 /nfs/dbraw/zinc/83/03/48/837830348.db2.gz WROIUNCNNKYPPR-WOJBJXKFSA-N 2 2 399.501 3.541 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000510111704 835316423 /nfs/dbraw/zinc/31/64/23/835316423.db2.gz DWCLTAMKOKGOPR-TZIWHRDSSA-N 2 2 388.515 3.903 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[N@H+]1Cc1ccccc1 ZINC000510111704 835316434 /nfs/dbraw/zinc/31/64/34/835316434.db2.gz DWCLTAMKOKGOPR-TZIWHRDSSA-N 2 2 388.515 3.903 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151305205 835368940 /nfs/dbraw/zinc/36/89/40/835368940.db2.gz OSGYONJOOALFNJ-LJQANCHMSA-N 3 2 378.520 3.723 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000151324711 835377294 /nfs/dbraw/zinc/37/72/94/835377294.db2.gz VAEREGMZJXSOHS-IBGZPJMESA-N 3 2 378.520 3.723 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658053950 835396710 /nfs/dbraw/zinc/39/67/10/835396710.db2.gz CDGQEGYZCAEIKN-CJNGLKHVSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658053950 835396722 /nfs/dbraw/zinc/39/67/22/835396722.db2.gz CDGQEGYZCAEIKN-CJNGLKHVSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000584044320 835505926 /nfs/dbraw/zinc/50/59/26/835505926.db2.gz RDMNRRWLTUMONP-WZYMTQMTSA-N 2 2 398.378 3.598 20 0 GHADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000584044320 835505930 /nfs/dbraw/zinc/50/59/30/835505930.db2.gz RDMNRRWLTUMONP-WZYMTQMTSA-N 2 2 398.378 3.598 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000158838262 835563185 /nfs/dbraw/zinc/56/31/85/835563185.db2.gz HBNYSZWZKZCCNW-DKLXNKCPSA-N 2 2 375.516 3.768 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000158838262 835563191 /nfs/dbraw/zinc/56/31/91/835563191.db2.gz HBNYSZWZKZCCNW-DKLXNKCPSA-N 2 2 375.516 3.768 20 0 GHADLP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Br)cc1F ZINC000584282143 835837818 /nfs/dbraw/zinc/83/78/18/835837818.db2.gz LOFNEHDUTXWZOD-IRXDYDNUSA-N 2 2 398.320 3.523 20 0 GHADLP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Br)cc1F ZINC000584282143 835837820 /nfs/dbraw/zinc/83/78/20/835837820.db2.gz LOFNEHDUTXWZOD-IRXDYDNUSA-N 2 2 398.320 3.523 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000471221976 835975845 /nfs/dbraw/zinc/97/58/45/835975845.db2.gz YZKVVWXDOZHXHT-GLJUWKHASA-N 2 2 386.367 3.833 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000471221976 835975856 /nfs/dbraw/zinc/97/58/56/835975856.db2.gz YZKVVWXDOZHXHT-GLJUWKHASA-N 2 2 386.367 3.833 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000471221976 835975864 /nfs/dbraw/zinc/97/58/64/835975864.db2.gz YZKVVWXDOZHXHT-GLJUWKHASA-N 2 2 386.367 3.833 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000471221976 835975876 /nfs/dbraw/zinc/97/58/76/835975876.db2.gz YZKVVWXDOZHXHT-GLJUWKHASA-N 2 2 386.367 3.833 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000570024096 836290956 /nfs/dbraw/zinc/29/09/56/836290956.db2.gz HHIGDDCPBWHHLW-INIZCTEOSA-N 2 2 390.940 3.682 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000093693563 844190861 /nfs/dbraw/zinc/19/08/61/844190861.db2.gz ZAKBVGHFWWDJHX-NRFANRHFSA-N 2 2 383.536 3.833 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000093693563 844190865 /nfs/dbraw/zinc/19/08/65/844190865.db2.gz ZAKBVGHFWWDJHX-NRFANRHFSA-N 2 2 383.536 3.833 20 0 GHADLP COc1cc2[nH+]c(N3Cc4ccccc4C4(CC[NH2+]CC4)C3)ccc2c(OC)c1 ZINC001167162098 836737458 /nfs/dbraw/zinc/73/74/58/836737458.db2.gz GGPJRARUWSZOPC-UHFFFAOYSA-N 2 2 389.499 3.893 20 0 GHADLP Cc1cc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc(OC(F)(F)F)c1 ZINC001143469373 836934058 /nfs/dbraw/zinc/93/40/58/836934058.db2.gz UKLDYHDCOZYLFN-UHFFFAOYSA-N 2 2 380.414 3.623 20 0 GHADLP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000119875090 836961434 /nfs/dbraw/zinc/96/14/34/836961434.db2.gz QDMNDWMEEWZHDA-MSOLQXFVSA-N 2 2 383.517 3.694 20 0 GHADLP CN(C(=O)c1ccsc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612958374 837018094 /nfs/dbraw/zinc/01/80/94/837018094.db2.gz BCWFRKPLWBGBKU-IRXDYDNUSA-N 2 2 383.989 3.811 20 0 GHADLP CN(C(=O)c1ccsc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612958374 837018108 /nfs/dbraw/zinc/01/81/08/837018108.db2.gz BCWFRKPLWBGBKU-IRXDYDNUSA-N 2 2 383.989 3.811 20 0 GHADLP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376165629 837111878 /nfs/dbraw/zinc/11/18/78/837111878.db2.gz IWODBRXLDZRIJN-LJQANCHMSA-N 2 2 398.551 3.677 20 0 GHADLP c1cc(C[NH+]2CCOCC2)cc(-c2noc([C@H]3CCC[N@@H+]3C3CCCC3)n2)c1 ZINC000275517987 837153191 /nfs/dbraw/zinc/15/31/91/837153191.db2.gz VZOGFSAQJLBPAY-HXUWFJFHSA-N 2 2 382.508 3.648 20 0 GHADLP c1cc(C[NH+]2CCOCC2)cc(-c2noc([C@H]3CCC[N@H+]3C3CCCC3)n2)c1 ZINC000275517987 837153206 /nfs/dbraw/zinc/15/32/06/837153206.db2.gz VZOGFSAQJLBPAY-HXUWFJFHSA-N 2 2 382.508 3.648 20 0 GHADLP Cc1ccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c(-c2ccnn2C)c1 ZINC000548980991 837156712 /nfs/dbraw/zinc/15/67/12/837156712.db2.gz XIKDCANWYKLUIB-UHFFFAOYSA-N 2 2 385.515 3.973 20 0 GHADLP CCOc1cccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000162027940 837190862 /nfs/dbraw/zinc/19/08/62/837190862.db2.gz WCMWEEYKMDXZMU-IBGZPJMESA-N 2 2 384.520 3.647 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1Cn1cccn1 ZINC000177807036 837231782 /nfs/dbraw/zinc/23/17/82/837231782.db2.gz AXAHRSDZMWCTTB-GOSISDBHSA-N 2 2 387.487 3.977 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(OC)c1OC ZINC000685850928 837304966 /nfs/dbraw/zinc/30/49/66/837304966.db2.gz OHCZDEYJXXSQTA-CTNGQTDRSA-N 2 2 396.531 3.666 20 0 GHADLP COc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(OC)c1OC ZINC000685850928 837304980 /nfs/dbraw/zinc/30/49/80/837304980.db2.gz OHCZDEYJXXSQTA-CTNGQTDRSA-N 2 2 396.531 3.666 20 0 GHADLP COc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(OC)c1OC ZINC000685850928 837304993 /nfs/dbraw/zinc/30/49/93/837304993.db2.gz OHCZDEYJXXSQTA-CTNGQTDRSA-N 2 2 396.531 3.666 20 0 GHADLP COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(OC)c1OC ZINC000685850928 837305003 /nfs/dbraw/zinc/30/50/03/837305003.db2.gz OHCZDEYJXXSQTA-CTNGQTDRSA-N 2 2 396.531 3.666 20 0 GHADLP C[NH2+]Cc1cccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000415943317 838295322 /nfs/dbraw/zinc/29/53/22/838295322.db2.gz LKDYWIMRJNSSOQ-NRFANRHFSA-N 2 2 377.492 3.782 20 0 GHADLP [NH3+]Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000415980203 838346383 /nfs/dbraw/zinc/34/63/83/838346383.db2.gz RVPUXYKRCKWBQT-GOSISDBHSA-N 2 2 390.890 3.724 20 0 GHADLP [NH3+]Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000415980203 838346385 /nfs/dbraw/zinc/34/63/85/838346385.db2.gz RVPUXYKRCKWBQT-GOSISDBHSA-N 2 2 390.890 3.724 20 0 GHADLP CSCc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000610324975 838461692 /nfs/dbraw/zinc/46/16/92/838461692.db2.gz XLJHOTVFPKDXAH-UHFFFAOYSA-N 2 2 390.597 3.621 20 0 GHADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000151840452 838530311 /nfs/dbraw/zinc/53/03/11/838530311.db2.gz FBIIZHAPVIPLCV-KNQAVFIVSA-N 2 2 395.551 3.662 20 0 GHADLP C[NH+](C)[C@@H](CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000416220768 838750075 /nfs/dbraw/zinc/75/00/75/838750075.db2.gz AQFFHHVPOOWTRR-CTNGQTDRSA-N 2 2 380.536 3.618 20 0 GHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c2ccccc21 ZINC000580062751 838790796 /nfs/dbraw/zinc/79/07/96/838790796.db2.gz CJLUTJWRNSSJOB-IXDOHACOSA-N 2 2 375.394 3.545 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(Br)cs3)CC2)CC1 ZINC000378322848 838859149 /nfs/dbraw/zinc/85/91/49/838859149.db2.gz HIBWNZLIUBEEGF-UHFFFAOYSA-N 2 2 386.403 3.501 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)CC1 ZINC000185929306 838951990 /nfs/dbraw/zinc/95/19/90/838951990.db2.gz BNRXPDHCVJVKMB-HRAATJIYSA-N 2 2 385.939 3.552 20 0 GHADLP COc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc(Br)c1OC(F)F ZINC000415058188 839128587 /nfs/dbraw/zinc/12/85/87/839128587.db2.gz SYJPVJJYZPQOKR-GFCCVEGCSA-N 2 2 381.261 3.522 20 0 GHADLP C[N@H+](CCc1nsc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659991501 839156364 /nfs/dbraw/zinc/15/63/64/839156364.db2.gz SZBFJLXJJYIVRG-UHFFFAOYSA-N 2 2 380.561 3.873 20 0 GHADLP C[N@@H+](CCc1nsc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659991501 839156370 /nfs/dbraw/zinc/15/63/70/839156370.db2.gz SZBFJLXJJYIVRG-UHFFFAOYSA-N 2 2 380.561 3.873 20 0 GHADLP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000548090575 839460019 /nfs/dbraw/zinc/46/00/19/839460019.db2.gz ANXOHBUIDWFGHB-KRWDZBQOSA-N 2 2 386.927 3.511 20 0 GHADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000473005856 839515363 /nfs/dbraw/zinc/51/53/63/839515363.db2.gz BJAHLRNPVKAISU-GOTSBHOMSA-N 2 2 379.548 3.908 20 0 GHADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000473005856 839515376 /nfs/dbraw/zinc/51/53/76/839515376.db2.gz BJAHLRNPVKAISU-GOTSBHOMSA-N 2 2 379.548 3.908 20 0 GHADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000473005856 839515386 /nfs/dbraw/zinc/51/53/86/839515386.db2.gz BJAHLRNPVKAISU-GOTSBHOMSA-N 2 2 379.548 3.908 20 0 GHADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000473005856 839515393 /nfs/dbraw/zinc/51/53/93/839515393.db2.gz BJAHLRNPVKAISU-GOTSBHOMSA-N 2 2 379.548 3.908 20 0 GHADLP O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000125877027 839781582 /nfs/dbraw/zinc/78/15/82/839781582.db2.gz SPCBBLLUVBARLA-HXUWFJFHSA-N 2 2 396.560 3.514 20 0 GHADLP O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000125877027 839781595 /nfs/dbraw/zinc/78/15/95/839781595.db2.gz SPCBBLLUVBARLA-HXUWFJFHSA-N 2 2 396.560 3.514 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000656256856 839865368 /nfs/dbraw/zinc/86/53/68/839865368.db2.gz BVNOAROPVGRTHE-SFHVURJKSA-N 2 2 391.357 3.859 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000656256856 839865381 /nfs/dbraw/zinc/86/53/81/839865381.db2.gz BVNOAROPVGRTHE-SFHVURJKSA-N 2 2 391.357 3.859 20 0 GHADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000108929796 840301212 /nfs/dbraw/zinc/30/12/12/840301212.db2.gz UMANHUDNEXLIMI-IBGZPJMESA-N 2 2 398.595 3.555 20 0 GHADLP COCCC[NH+]1CCC([NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000580844043 840329340 /nfs/dbraw/zinc/32/93/40/840329340.db2.gz KAKAUIFALDSMKK-UHFFFAOYSA-N 2 2 381.314 3.786 20 0 GHADLP COc1cc(OC)c(OC)cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000581163612 840808798 /nfs/dbraw/zinc/80/87/98/840808798.db2.gz LVKSNZUOSRVELD-FPOVZHCZSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(OC)cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000581163612 840808807 /nfs/dbraw/zinc/80/88/07/840808807.db2.gz LVKSNZUOSRVELD-FPOVZHCZSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000581163612 840808812 /nfs/dbraw/zinc/80/88/12/840808812.db2.gz LVKSNZUOSRVELD-FPOVZHCZSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000581163612 840808813 /nfs/dbraw/zinc/80/88/13/840808813.db2.gz LVKSNZUOSRVELD-FPOVZHCZSA-N 2 2 396.531 3.666 20 0 GHADLP O=C(C[NH2+][C@@H]1CCCC12CCCCC2)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000661127737 841430944 /nfs/dbraw/zinc/43/09/44/841430944.db2.gz HBSVXSKDSZZHGG-OAQYLSRUSA-N 2 2 385.552 3.550 20 0 GHADLP O=C(C[NH2+][C@H]1CCCC12CCCCC2)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000661127736 841431205 /nfs/dbraw/zinc/43/12/05/841431205.db2.gz HBSVXSKDSZZHGG-NRFANRHFSA-N 2 2 385.552 3.550 20 0 GHADLP CCn1c[nH+]cc1CN(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000418086228 841497574 /nfs/dbraw/zinc/49/75/74/841497574.db2.gz ZKBBDCLUGNOVIR-UHFFFAOYSA-N 2 2 391.357 3.762 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000558737430 841655598 /nfs/dbraw/zinc/65/55/98/841655598.db2.gz BNFYGAVVTUDAEP-HXUWFJFHSA-N 2 2 387.474 3.794 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000558737430 841655604 /nfs/dbraw/zinc/65/56/04/841655604.db2.gz BNFYGAVVTUDAEP-HXUWFJFHSA-N 2 2 387.474 3.794 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000661515777 841835705 /nfs/dbraw/zinc/83/57/05/841835705.db2.gz FHJGUOVAYDZLCE-KDOFPFPSSA-N 2 2 378.314 3.806 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000661515777 841835714 /nfs/dbraw/zinc/83/57/14/841835714.db2.gz FHJGUOVAYDZLCE-KDOFPFPSSA-N 2 2 378.314 3.806 20 0 GHADLP FC(F)(F)[C@@H]1C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1C(F)(F)F ZINC000643250718 842076164 /nfs/dbraw/zinc/07/61/64/842076164.db2.gz GEHCUUGUSRADMP-HZPDHXFCSA-N 2 2 396.375 3.691 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Cl)cc2Br)CCCO1 ZINC000432347093 842123784 /nfs/dbraw/zinc/12/37/84/842123784.db2.gz NSCLWYJSSDCUIR-CYBMUJFWSA-N 2 2 375.738 3.693 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Cl)cc2Br)CCCO1 ZINC000432347093 842123790 /nfs/dbraw/zinc/12/37/90/842123790.db2.gz NSCLWYJSSDCUIR-CYBMUJFWSA-N 2 2 375.738 3.693 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Br)cc2Cl)CCCO1 ZINC000432362417 842178651 /nfs/dbraw/zinc/17/86/51/842178651.db2.gz LETMDNGDGBDCEK-CYBMUJFWSA-N 2 2 375.738 3.693 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Br)cc2Cl)CCCO1 ZINC000432362417 842178658 /nfs/dbraw/zinc/17/86/58/842178658.db2.gz LETMDNGDGBDCEK-CYBMUJFWSA-N 2 2 375.738 3.693 20 0 GHADLP Fc1cccc(Cc2noc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)n2)c1 ZINC000278935022 842184082 /nfs/dbraw/zinc/18/40/82/842184082.db2.gz TXFUFLPAWJWCHE-UHFFFAOYSA-N 2 2 395.482 3.712 20 0 GHADLP C[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Oc1cccc(Br)c1 ZINC000512036242 842245876 /nfs/dbraw/zinc/24/58/76/842245876.db2.gz FUQORAPARTXUHO-LBPRGKRZSA-N 2 2 384.343 3.524 20 0 GHADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000512044691 842299829 /nfs/dbraw/zinc/29/98/29/842299829.db2.gz HANNKSMHTATDKQ-FUPPJEDESA-N 2 2 387.612 3.718 20 0 GHADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000512044691 842299841 /nfs/dbraw/zinc/29/98/41/842299841.db2.gz HANNKSMHTATDKQ-FUPPJEDESA-N 2 2 387.612 3.718 20 0 GHADLP C[C@@H]1C[NH+](C[C@H]2CCCN2CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000512044691 842299853 /nfs/dbraw/zinc/29/98/53/842299853.db2.gz HANNKSMHTATDKQ-FUPPJEDESA-N 2 2 387.612 3.718 20 0 GHADLP C[C@@H]1C[NH+](C[C@H]2CCCN2CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000512044691 842299865 /nfs/dbraw/zinc/29/98/65/842299865.db2.gz HANNKSMHTATDKQ-FUPPJEDESA-N 2 2 387.612 3.718 20 0 GHADLP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279018984 842474911 /nfs/dbraw/zinc/47/49/11/842474911.db2.gz ABONDWXYQTZBBT-UHFFFAOYSA-N 2 2 392.547 3.835 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(F)ccc1F ZINC000471846933 842827300 /nfs/dbraw/zinc/82/73/00/842827300.db2.gz RZCOHPLHRKDQIW-DYESRHJHSA-N 2 2 387.474 3.575 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(F)ccc1F ZINC000471846933 842827306 /nfs/dbraw/zinc/82/73/06/842827306.db2.gz RZCOHPLHRKDQIW-DYESRHJHSA-N 2 2 387.474 3.575 20 0 GHADLP Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512236840 843171261 /nfs/dbraw/zinc/17/12/61/843171261.db2.gz KRPXXOOPKYJYEJ-SQJMNOBHSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512236840 843171264 /nfs/dbraw/zinc/17/12/64/843171264.db2.gz KRPXXOOPKYJYEJ-SQJMNOBHSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccc(CNC(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512236840 843171272 /nfs/dbraw/zinc/17/12/72/843171272.db2.gz KRPXXOOPKYJYEJ-SQJMNOBHSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccc(CNC(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512236840 843171280 /nfs/dbraw/zinc/17/12/80/843171280.db2.gz KRPXXOOPKYJYEJ-SQJMNOBHSA-N 2 2 391.559 3.598 20 0 GHADLP CC(C)N(C(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CCCC1 ZINC000512240382 843190254 /nfs/dbraw/zinc/19/02/54/843190254.db2.gz DAIGBCPGLLQRBE-DEOSSOPVSA-N 2 2 383.580 3.764 20 0 GHADLP CC(C)N(C(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CCCC1 ZINC000512240382 843190258 /nfs/dbraw/zinc/19/02/58/843190258.db2.gz DAIGBCPGLLQRBE-DEOSSOPVSA-N 2 2 383.580 3.764 20 0 GHADLP CC(C)N(C(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CCCC1 ZINC000512240382 843190262 /nfs/dbraw/zinc/19/02/62/843190262.db2.gz DAIGBCPGLLQRBE-DEOSSOPVSA-N 2 2 383.580 3.764 20 0 GHADLP CC(C)N(C(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CCCC1 ZINC000512240382 843190265 /nfs/dbraw/zinc/19/02/65/843190265.db2.gz DAIGBCPGLLQRBE-DEOSSOPVSA-N 2 2 383.580 3.764 20 0 GHADLP Cc1cccc([C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(C)C)c1 ZINC000637478041 843278982 /nfs/dbraw/zinc/27/89/82/843278982.db2.gz MOBABKHAHCRGOQ-FCHUYYIVSA-N 2 2 386.584 3.502 20 0 GHADLP Cc1cccc([C@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(C)C)c1 ZINC000637478041 843278992 /nfs/dbraw/zinc/27/89/92/843278992.db2.gz MOBABKHAHCRGOQ-FCHUYYIVSA-N 2 2 386.584 3.502 20 0 GHADLP Cc1nc(COc2ccc(C[NH2+]C(C)(C)C[N@H+](C)Cc3ccccc3)cc2)no1 ZINC000159356113 843320606 /nfs/dbraw/zinc/32/06/06/843320606.db2.gz MJEHDJMZFXRZPH-UHFFFAOYSA-N 2 2 394.519 3.957 20 0 GHADLP Cc1nc(COc2ccc(C[NH2+]C(C)(C)C[N@@H+](C)Cc3ccccc3)cc2)no1 ZINC000159356113 843320618 /nfs/dbraw/zinc/32/06/18/843320618.db2.gz MJEHDJMZFXRZPH-UHFFFAOYSA-N 2 2 394.519 3.957 20 0 GHADLP Cc1nc2c(cccc2C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000279856215 843434099 /nfs/dbraw/zinc/43/40/99/843434099.db2.gz BGERPKPNKUEELA-PMACEKPBSA-N 2 2 398.551 3.545 20 0 GHADLP Cc1nc2c(cccc2C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000279856215 843434106 /nfs/dbraw/zinc/43/41/06/843434106.db2.gz BGERPKPNKUEELA-PMACEKPBSA-N 2 2 398.551 3.545 20 0 GHADLP COc1ccc(CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)Cc2ccccc2)cc1 ZINC000431067271 843517895 /nfs/dbraw/zinc/51/78/95/843517895.db2.gz CVROERQFWMEZHK-UHFFFAOYSA-N 2 2 380.492 3.517 20 0 GHADLP COc1ccc(CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)Cc2ccccc2)cc1 ZINC000431067271 843517904 /nfs/dbraw/zinc/51/79/04/843517904.db2.gz CVROERQFWMEZHK-UHFFFAOYSA-N 2 2 380.492 3.517 20 0 GHADLP [NH3+]CCC[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000418666375 843520299 /nfs/dbraw/zinc/52/02/99/843520299.db2.gz GFPVVUJMVOOFGT-NRFANRHFSA-N 2 2 395.551 3.589 20 0 GHADLP CC(C)CC[C@H](O)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510889358 843736118 /nfs/dbraw/zinc/73/61/18/843736118.db2.gz WDWZKVWOQMVGIO-HNNXBMFYSA-N 2 2 384.318 3.538 20 0 GHADLP CC(C)CC[C@H](O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510889358 843736131 /nfs/dbraw/zinc/73/61/31/843736131.db2.gz WDWZKVWOQMVGIO-HNNXBMFYSA-N 2 2 384.318 3.538 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NCC(C)(C)[N@@H+]3CCC[C@H](C)C3)cn2c1 ZINC000500714348 843876216 /nfs/dbraw/zinc/87/62/16/843876216.db2.gz RUAAEZXURNNXRU-INIZCTEOSA-N 2 2 388.581 3.503 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NCC(C)(C)[N@H+]3CCC[C@H](C)C3)cn2c1 ZINC000500714348 843876225 /nfs/dbraw/zinc/87/62/25/843876225.db2.gz RUAAEZXURNNXRU-INIZCTEOSA-N 2 2 388.581 3.503 20 0 GHADLP O=C(CC1CC[NH2+]CC1)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000238141084 844009729 /nfs/dbraw/zinc/00/97/29/844009729.db2.gz RBDBVNYIGAFASS-UHFFFAOYSA-N 2 2 388.515 3.604 20 0 GHADLP CCn1c(C)cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000535850709 844812593 /nfs/dbraw/zinc/81/25/93/844812593.db2.gz LGXVEGUCABQQBM-FGZHOGPDSA-N 2 2 388.600 3.534 20 0 GHADLP CCn1c(C)cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000535850709 844812598 /nfs/dbraw/zinc/81/25/98/844812598.db2.gz LGXVEGUCABQQBM-FGZHOGPDSA-N 2 2 388.600 3.534 20 0 GHADLP CCn1c(C)cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000535850708 844813013 /nfs/dbraw/zinc/81/30/13/844813013.db2.gz LGXVEGUCABQQBM-FCHUYYIVSA-N 2 2 388.600 3.534 20 0 GHADLP CCn1c(C)cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000535850708 844813063 /nfs/dbraw/zinc/81/30/63/844813063.db2.gz LGXVEGUCABQQBM-FCHUYYIVSA-N 2 2 388.600 3.534 20 0 GHADLP CN(C(=O)NCCC1=CCCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535870966 844937865 /nfs/dbraw/zinc/93/78/65/844937865.db2.gz JAUKNIGUCUNWQI-FGZHOGPDSA-N 2 2 390.616 3.856 20 0 GHADLP CN(C(=O)NCCC1=CCCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535870966 844937871 /nfs/dbraw/zinc/93/78/71/844937871.db2.gz JAUKNIGUCUNWQI-FGZHOGPDSA-N 2 2 390.616 3.856 20 0 GHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000512674292 844994699 /nfs/dbraw/zinc/99/46/99/844994699.db2.gz VLRFWBQLOSXJDE-ROUUACIJSA-N 2 2 399.501 3.618 20 0 GHADLP COCc1ccccc1/C=C(\C)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000512727630 845206275 /nfs/dbraw/zinc/20/62/75/845206275.db2.gz JKEWXEQLIKRYFJ-BTUGVJQXSA-N 2 2 394.559 3.805 20 0 GHADLP COCc1ccccc1/C=C(\C)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000512727630 845206282 /nfs/dbraw/zinc/20/62/82/845206282.db2.gz JKEWXEQLIKRYFJ-BTUGVJQXSA-N 2 2 394.559 3.805 20 0 GHADLP COCc1ccccc1/C=C(\C)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000512727630 845206292 /nfs/dbraw/zinc/20/62/92/845206292.db2.gz JKEWXEQLIKRYFJ-BTUGVJQXSA-N 2 2 394.559 3.805 20 0 GHADLP COCc1ccccc1/C=C(\C)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000512727630 845206299 /nfs/dbraw/zinc/20/62/99/845206299.db2.gz JKEWXEQLIKRYFJ-BTUGVJQXSA-N 2 2 394.559 3.805 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000673741320 861555033 /nfs/dbraw/zinc/55/50/33/861555033.db2.gz VNBCXALVGGQBNM-WMLDXEAASA-N 2 2 398.378 3.724 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000673741320 861555039 /nfs/dbraw/zinc/55/50/39/861555039.db2.gz VNBCXALVGGQBNM-WMLDXEAASA-N 2 2 398.378 3.724 20 0 GHADLP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000262718023 845494486 /nfs/dbraw/zinc/49/44/86/845494486.db2.gz WURCIWIOODEADX-QHCPKHFHSA-N 2 2 376.504 3.732 20 0 GHADLP [NH3+]C[C@H]1CC[N@@H+]([C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000647829613 845498278 /nfs/dbraw/zinc/49/82/78/845498278.db2.gz DFWDGKHHWNZACS-ACJLOTCBSA-N 2 2 378.303 3.954 20 0 GHADLP [NH3+]C[C@H]1CC[N@H+]([C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000647829613 845498289 /nfs/dbraw/zinc/49/82/89/845498289.db2.gz DFWDGKHHWNZACS-ACJLOTCBSA-N 2 2 378.303 3.954 20 0 GHADLP CCn1nc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000472048570 845587353 /nfs/dbraw/zinc/58/73/53/845587353.db2.gz RFOICFVLTCMJIT-KDURUIRLSA-N 2 2 392.547 3.955 20 0 GHADLP CCn1nc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000472048570 845587363 /nfs/dbraw/zinc/58/73/63/845587363.db2.gz RFOICFVLTCMJIT-KDURUIRLSA-N 2 2 392.547 3.955 20 0 GHADLP C[C@]1(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000548624614 845904272 /nfs/dbraw/zinc/90/42/72/845904272.db2.gz HTGYVCFZDQPJKX-JOCHJYFZSA-N 2 2 379.483 3.551 20 0 GHADLP C[C@]1(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CCC[N@H+]1Cc1ccccc1 ZINC000548624614 845904274 /nfs/dbraw/zinc/90/42/74/845904274.db2.gz HTGYVCFZDQPJKX-JOCHJYFZSA-N 2 2 379.483 3.551 20 0 GHADLP O=C(NCCCCNc1cccc[nH+]1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000105025600 845929651 /nfs/dbraw/zinc/92/96/51/845929651.db2.gz BQXSFDXHSAUSLX-UHFFFAOYSA-N 2 2 399.564 3.644 20 0 GHADLP C[C@@H](Cc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502517350 846169571 /nfs/dbraw/zinc/16/95/71/846169571.db2.gz GRGQNKRMIDEEIU-PMOQBDJRSA-N 2 2 385.596 3.661 20 0 GHADLP C[C@@H](Cc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502517350 846169575 /nfs/dbraw/zinc/16/95/75/846169575.db2.gz GRGQNKRMIDEEIU-PMOQBDJRSA-N 2 2 385.596 3.661 20 0 GHADLP Cn1c[nH+]cc1CCN(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000298104954 846389198 /nfs/dbraw/zinc/38/91/98/846389198.db2.gz NSTALKDPDZWJHT-XMMPIXPASA-N 2 2 389.547 3.524 20 0 GHADLP Cn1c[nH+]cc1CCN(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000298104954 846389207 /nfs/dbraw/zinc/38/92/07/846389207.db2.gz NSTALKDPDZWJHT-XMMPIXPASA-N 2 2 389.547 3.524 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cnn(C2CCCC2)c1 ZINC000502726562 846400099 /nfs/dbraw/zinc/40/00/99/846400099.db2.gz LAMKXGQRGZCWDN-LJQANCHMSA-N 2 2 398.551 3.560 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657362990 846553464 /nfs/dbraw/zinc/55/34/64/846553464.db2.gz DENODGUFAXAZTD-KBXCAEBGSA-N 2 2 379.426 3.822 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657362990 846553471 /nfs/dbraw/zinc/55/34/71/846553471.db2.gz DENODGUFAXAZTD-KBXCAEBGSA-N 2 2 379.426 3.822 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657363018 846554068 /nfs/dbraw/zinc/55/40/68/846554068.db2.gz DENODGUFAXAZTD-RDTXWAMCSA-N 2 2 379.426 3.822 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657363018 846554072 /nfs/dbraw/zinc/55/40/72/846554072.db2.gz DENODGUFAXAZTD-RDTXWAMCSA-N 2 2 379.426 3.822 20 0 GHADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000421820503 846601232 /nfs/dbraw/zinc/60/12/32/846601232.db2.gz MPDSNDSQSRFGSA-KRWDZBQOSA-N 2 2 387.955 3.947 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000422010673 846751165 /nfs/dbraw/zinc/75/11/65/846751165.db2.gz SUSSQFGKSLCYCI-UHFFFAOYSA-N 2 2 384.351 3.626 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000422010673 846751171 /nfs/dbraw/zinc/75/11/71/846751171.db2.gz SUSSQFGKSLCYCI-UHFFFAOYSA-N 2 2 384.351 3.626 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3C)CC2)CC1 ZINC000422022574 846755122 /nfs/dbraw/zinc/75/51/22/846755122.db2.gz OUZGCPMJCMAFBN-UHFFFAOYSA-N 2 2 397.485 3.646 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3C)CC2)CC1 ZINC000422022574 846755127 /nfs/dbraw/zinc/75/51/27/846755127.db2.gz OUZGCPMJCMAFBN-UHFFFAOYSA-N 2 2 397.485 3.646 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3c4ccccc4CC[C@@H]3C)CC2)CC1 ZINC000422178512 846876072 /nfs/dbraw/zinc/87/60/72/846876072.db2.gz JRIGVTSHWIIQEG-CVDCTZTESA-N 2 2 398.595 3.512 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3c4ccccc4CC[C@@H]3C)CC2)CC1 ZINC000422178512 846876081 /nfs/dbraw/zinc/87/60/81/846876081.db2.gz JRIGVTSHWIIQEG-CVDCTZTESA-N 2 2 398.595 3.512 20 0 GHADLP CN(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001268967017 847096625 /nfs/dbraw/zinc/09/66/25/847096625.db2.gz GGUXTCVBMCETRQ-PXIKZMAHSA-N 2 2 375.601 3.608 20 0 GHADLP CN(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001268967017 847096633 /nfs/dbraw/zinc/09/66/33/847096633.db2.gz GGUXTCVBMCETRQ-PXIKZMAHSA-N 2 2 375.601 3.608 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420392638 847156459 /nfs/dbraw/zinc/15/64/59/847156459.db2.gz JADNXCROEWUEKK-UWJYYQICSA-N 2 2 381.520 3.684 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420392638 847156469 /nfs/dbraw/zinc/15/64/69/847156469.db2.gz JADNXCROEWUEKK-UWJYYQICSA-N 2 2 381.520 3.684 20 0 GHADLP COC(=O)c1cccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)c1 ZINC000420403332 847168360 /nfs/dbraw/zinc/16/83/60/847168360.db2.gz RDHJDABVGLSUAM-HKUYNNGSSA-N 2 2 385.533 3.561 20 0 GHADLP COC(=O)c1cccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)c1 ZINC000420403332 847168367 /nfs/dbraw/zinc/16/83/67/847168367.db2.gz RDHJDABVGLSUAM-HKUYNNGSSA-N 2 2 385.533 3.561 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000420409276 847173475 /nfs/dbraw/zinc/17/34/75/847173475.db2.gz WVUDGVHOTJFXLD-NZQKXSOJSA-N 2 2 393.531 3.668 20 0 GHADLP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000420409276 847173481 /nfs/dbraw/zinc/17/34/81/847173481.db2.gz WVUDGVHOTJFXLD-NZQKXSOJSA-N 2 2 393.531 3.668 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1cccc2ccccc21 ZINC000647902066 847174555 /nfs/dbraw/zinc/17/45/55/847174555.db2.gz ZIRNOIWBRQGDKF-JPPTWICTSA-N 2 2 379.548 3.870 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1cccc2ccccc21 ZINC000647902066 847174564 /nfs/dbraw/zinc/17/45/64/847174564.db2.gz ZIRNOIWBRQGDKF-JPPTWICTSA-N 2 2 379.548 3.870 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nc(C4CCCCC4)ns3)CC2)CC1 ZINC000420629096 847336792 /nfs/dbraw/zinc/33/67/92/847336792.db2.gz QOYLJHAWNZOVIE-UHFFFAOYSA-N 2 2 377.602 3.582 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(c3nc(C4CCCCC4)ns3)CC2)CC1 ZINC000420629096 847336806 /nfs/dbraw/zinc/33/68/06/847336806.db2.gz QOYLJHAWNZOVIE-UHFFFAOYSA-N 2 2 377.602 3.582 20 0 GHADLP Fc1ccc(NC2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000420937555 847556703 /nfs/dbraw/zinc/55/67/03/847556703.db2.gz OFPRQZZHGXUENR-UHFFFAOYSA-N 2 2 383.511 3.734 20 0 GHADLP c1[nH]c2ncccc2c1C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420943452 847564976 /nfs/dbraw/zinc/56/49/76/847564976.db2.gz WTUSVOHRWZJNAO-UHFFFAOYSA-N 2 2 390.531 3.775 20 0 GHADLP c1ccc([C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)[C@H]3CCOC[C@@H]23)cc1 ZINC000420959594 847580355 /nfs/dbraw/zinc/58/03/55/847580355.db2.gz GRYIAKGQJNMYRM-SDHOMARFSA-N 2 2 392.543 3.523 20 0 GHADLP c1ccc([C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)[C@H]3CCOC[C@@H]23)cc1 ZINC000420959594 847580360 /nfs/dbraw/zinc/58/03/60/847580360.db2.gz GRYIAKGQJNMYRM-SDHOMARFSA-N 2 2 392.543 3.523 20 0 GHADLP Brc1ccc(-n2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000179853056 861817016 /nfs/dbraw/zinc/81/70/16/861817016.db2.gz WHMITXOLVUSEPO-INIZCTEOSA-N 2 2 389.341 3.553 20 0 GHADLP Brc1ccc(-n2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000179853056 861817032 /nfs/dbraw/zinc/81/70/32/861817032.db2.gz WHMITXOLVUSEPO-INIZCTEOSA-N 2 2 389.341 3.553 20 0 GHADLP C[C@@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C[NH+]1CCCCC1 ZINC000511169501 847692784 /nfs/dbraw/zinc/69/27/84/847692784.db2.gz OLTBQXCTKKCEOG-SJORKVTESA-N 2 2 393.601 3.619 20 0 GHADLP C[C@@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C[NH+]1CCCCC1 ZINC000511169501 847692797 /nfs/dbraw/zinc/69/27/97/847692797.db2.gz OLTBQXCTKKCEOG-SJORKVTESA-N 2 2 393.601 3.619 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(C4CCC4)cc3)CC2)CC1 ZINC000421117975 847737905 /nfs/dbraw/zinc/73/79/05/847737905.db2.gz YVKKVAJRQMTVER-UHFFFAOYSA-N 2 2 384.568 3.978 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(C4CCC4)cc3)CC2)CC1 ZINC000421117975 847737909 /nfs/dbraw/zinc/73/79/09/847737909.db2.gz YVKKVAJRQMTVER-UHFFFAOYSA-N 2 2 384.568 3.978 20 0 GHADLP C[C@@H](COCc1ccccc1)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001167590552 847805510 /nfs/dbraw/zinc/80/55/10/847805510.db2.gz VSRFBUMEXCQZAU-OAQYLSRUSA-N 2 2 381.564 3.873 20 0 GHADLP C[C@@H](COCc1ccccc1)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001167590552 847805517 /nfs/dbraw/zinc/80/55/17/847805517.db2.gz VSRFBUMEXCQZAU-OAQYLSRUSA-N 2 2 381.564 3.873 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cnn(C2CCCC2)c1 ZINC000502403227 847843108 /nfs/dbraw/zinc/84/31/08/847843108.db2.gz NJDGTAUTBXCPQU-QTGUNEKASA-N 2 2 382.552 3.532 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cnn(C2CCCC2)c1 ZINC000502403227 847843114 /nfs/dbraw/zinc/84/31/14/847843114.db2.gz NJDGTAUTBXCPQU-QTGUNEKASA-N 2 2 382.552 3.532 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)[C@@H]2CCC[NH2+]2)cc1 ZINC000422971263 847922293 /nfs/dbraw/zinc/92/22/93/847922293.db2.gz XYFRVZPXHUQPJR-VABKMULXSA-N 2 2 382.548 3.880 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000423040896 847952147 /nfs/dbraw/zinc/95/21/47/847952147.db2.gz VGPHFLAMLQWAKE-DFBGVHRSSA-N 2 2 395.263 3.799 20 0 GHADLP c1ccc([C@@H]2CCc3nc(C[NH2+][C@@H]4CCOC[C@H]4[C@H]4CCC[NH2+]4)sc3C2)cc1 ZINC000423049584 847965233 /nfs/dbraw/zinc/96/52/33/847965233.db2.gz KHRQEALXPHAZDR-IYWMVGAKSA-N 2 2 397.588 3.662 20 0 GHADLP OC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1c(Cl)cccc1Cl ZINC000423092466 847975684 /nfs/dbraw/zinc/97/56/84/847975684.db2.gz BYZNIZNSGDTVGS-UWVAXJGDSA-N 2 2 393.314 3.872 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000179956454 861869063 /nfs/dbraw/zinc/86/90/63/861869063.db2.gz CWDGHNNTXPIVCS-INIZCTEOSA-N 2 2 391.357 3.799 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000179956454 861869082 /nfs/dbraw/zinc/86/90/82/861869082.db2.gz CWDGHNNTXPIVCS-INIZCTEOSA-N 2 2 391.357 3.799 20 0 GHADLP Fc1cc2cccnc2c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192357338 861929042 /nfs/dbraw/zinc/92/90/42/861929042.db2.gz HHSKTTBDHUSZFD-QFIPXVFZSA-N 2 2 379.479 3.755 20 0 GHADLP Fc1cc2cccnc2c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192357338 861929054 /nfs/dbraw/zinc/92/90/54/861929054.db2.gz HHSKTTBDHUSZFD-QFIPXVFZSA-N 2 2 379.479 3.755 20 0 GHADLP CC(C)c1ccc(C(C)(C)NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604193719 861959138 /nfs/dbraw/zinc/95/91/38/861959138.db2.gz LJQUHYMEKNHGSP-FQEVSTJZSA-N 2 2 386.584 3.513 20 0 GHADLP CC(C)c1ccc(C(C)(C)NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604193719 861959145 /nfs/dbraw/zinc/95/91/45/861959145.db2.gz LJQUHYMEKNHGSP-FQEVSTJZSA-N 2 2 386.584 3.513 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000154491514 849311620 /nfs/dbraw/zinc/31/16/20/849311620.db2.gz VSNCYUSTASXWDB-GCJKJVERSA-N 2 2 389.547 3.696 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000154491514 849311632 /nfs/dbraw/zinc/31/16/32/849311632.db2.gz VSNCYUSTASXWDB-GCJKJVERSA-N 2 2 389.547 3.696 20 0 GHADLP CC(C)CC[NH+]1CCC(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425179565 849745607 /nfs/dbraw/zinc/74/56/07/849745607.db2.gz PXMGQDRRHJGJKX-OAQYLSRUSA-N 2 2 382.552 3.806 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000423130614 849752772 /nfs/dbraw/zinc/75/27/72/849752772.db2.gz MYGVAIJKMRKDAP-YHYVQYDKSA-N 2 2 388.939 3.955 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(Br)ccc1F ZINC000423243188 849825406 /nfs/dbraw/zinc/82/54/06/849825406.db2.gz ZLAVKBPFYKCWEN-GFCCVEGCSA-N 2 2 379.277 3.566 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000423368062 849889594 /nfs/dbraw/zinc/88/95/94/849889594.db2.gz MZBMVBAFDRQNQB-LYLBAIIYSA-N 2 2 390.474 3.786 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)cc1F ZINC000127115414 849906976 /nfs/dbraw/zinc/90/69/76/849906976.db2.gz OSECMVPNSZXOOP-UONOGXRCSA-N 2 2 385.321 3.740 20 0 GHADLP Cc1cc(C[NH+]2CCN(c3cc[nH+]c4cc(OC(F)(F)F)ccc43)CC2)on1 ZINC000899877609 862069818 /nfs/dbraw/zinc/06/98/18/862069818.db2.gz HYAPYDDFRQPFJA-UHFFFAOYSA-N 2 2 392.381 3.752 20 0 GHADLP COC[C@]1(C[NH2+][C@@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CCC[NH2+]1 ZINC000423443293 849919679 /nfs/dbraw/zinc/91/96/79/849919679.db2.gz WXWCBCYQVYAOBZ-DYESRHJHSA-N 2 2 387.549 3.554 20 0 GHADLP C[NH+](C)C1(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCCCC1 ZINC000514571322 850000315 /nfs/dbraw/zinc/00/03/15/850000315.db2.gz DQBMGYMWOYBXEF-UHFFFAOYSA-N 2 2 387.572 3.526 20 0 GHADLP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000486822703 850143653 /nfs/dbraw/zinc/14/36/53/850143653.db2.gz OLFPBVJRSGQSPD-WOJBJXKFSA-N 2 2 389.902 3.716 20 0 GHADLP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000486822703 850143663 /nfs/dbraw/zinc/14/36/63/850143663.db2.gz OLFPBVJRSGQSPD-WOJBJXKFSA-N 2 2 389.902 3.716 20 0 GHADLP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425316452 850285631 /nfs/dbraw/zinc/28/56/31/850285631.db2.gz YFTWJVQVQWTXOY-HXUWFJFHSA-N 2 2 380.492 3.505 20 0 GHADLP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425316452 850285640 /nfs/dbraw/zinc/28/56/40/850285640.db2.gz YFTWJVQVQWTXOY-HXUWFJFHSA-N 2 2 380.492 3.505 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000669714390 862125400 /nfs/dbraw/zinc/12/54/00/862125400.db2.gz BEFLBHMJZXHJNE-FQEVSTJZSA-N 3 2 382.552 3.539 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000669714390 862125407 /nfs/dbraw/zinc/12/54/07/862125407.db2.gz BEFLBHMJZXHJNE-FQEVSTJZSA-N 3 2 382.552 3.539 20 0 GHADLP CCn1ccnc1C[N@H+](C/C=C/c1ccc(F)cc1F)[C@H]1CC12CC[NH2+]CC2 ZINC000435424730 850504632 /nfs/dbraw/zinc/50/46/32/850504632.db2.gz ACWKFVHWFZIXOT-YADGQWAMSA-N 2 2 386.490 3.839 20 0 GHADLP CCn1ccnc1C[N@@H+](C/C=C/c1ccc(F)cc1F)[C@H]1CC12CC[NH2+]CC2 ZINC000435424730 850504639 /nfs/dbraw/zinc/50/46/39/850504639.db2.gz ACWKFVHWFZIXOT-YADGQWAMSA-N 2 2 386.490 3.839 20 0 GHADLP CC(C)COc1cccc(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435425938 850507855 /nfs/dbraw/zinc/50/78/55/850507855.db2.gz FQHHJQSJFVQNJU-NRFANRHFSA-N 2 2 382.552 3.599 20 0 GHADLP CC(C)COc1cccc(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435425938 850507868 /nfs/dbraw/zinc/50/78/68/850507868.db2.gz FQHHJQSJFVQNJU-NRFANRHFSA-N 2 2 382.552 3.599 20 0 GHADLP CC[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435627816 850723223 /nfs/dbraw/zinc/72/32/23/850723223.db2.gz ORUYFPWELIWCGW-ZDUSSCGKSA-N 2 2 377.838 3.761 20 0 GHADLP CC[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435627816 850723230 /nfs/dbraw/zinc/72/32/30/850723230.db2.gz ORUYFPWELIWCGW-ZDUSSCGKSA-N 2 2 377.838 3.761 20 0 GHADLP CN(C(=O)c1cc2c(ccc3ccccc23)o1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625504199 862169689 /nfs/dbraw/zinc/16/96/89/862169689.db2.gz SBDINGNKAPDOLR-LJQANCHMSA-N 2 2 391.515 3.827 20 0 GHADLP CN(C(=O)c1cc2c(ccc3ccccc23)o1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625504199 862169700 /nfs/dbraw/zinc/16/97/00/862169700.db2.gz SBDINGNKAPDOLR-LJQANCHMSA-N 2 2 391.515 3.827 20 0 GHADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1 ZINC000505458614 851424865 /nfs/dbraw/zinc/42/48/65/851424865.db2.gz BHAYTVJEGXTBMZ-JOCHJYFZSA-N 2 2 383.511 3.844 20 0 GHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1 ZINC000505458614 851424868 /nfs/dbraw/zinc/42/48/68/851424868.db2.gz BHAYTVJEGXTBMZ-JOCHJYFZSA-N 2 2 383.511 3.844 20 0 GHADLP O=C1[C@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCN1c1cccc(Cl)c1 ZINC000434670522 851462135 /nfs/dbraw/zinc/46/21/35/851462135.db2.gz QKTUAIOAPIHUKF-HXUWFJFHSA-N 2 2 398.938 3.858 20 0 GHADLP O=C1[C@@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCN1c1ccccc1F ZINC000434686542 851478069 /nfs/dbraw/zinc/47/80/69/851478069.db2.gz WDIQBXWPSNHQDM-NRFANRHFSA-N 2 2 396.510 3.734 20 0 GHADLP CCO[C@H](C)c1noc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000366593056 851553813 /nfs/dbraw/zinc/55/38/13/851553813.db2.gz OZLIMNLEMBVQAG-GOSISDBHSA-N 2 2 384.524 3.655 20 0 GHADLP CCO[C@H](C)c1noc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000366593056 851553820 /nfs/dbraw/zinc/55/38/20/851553820.db2.gz OZLIMNLEMBVQAG-GOSISDBHSA-N 2 2 384.524 3.655 20 0 GHADLP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241733 851579184 /nfs/dbraw/zinc/57/91/84/851579184.db2.gz IWIVTHJRDYXYFW-OAHLLOKOSA-N 2 2 398.378 3.931 20 0 GHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000111243664 851580222 /nfs/dbraw/zinc/58/02/22/851580222.db2.gz NLHAZTPCFCHLPT-QHCPKHFHSA-N 2 2 380.536 3.958 20 0 GHADLP Cc1cn2cc(NC(=O)NCc3ccccc3C[NH+]3CCCCC3)ccc2[nH+]1 ZINC000517644733 852221198 /nfs/dbraw/zinc/22/11/98/852221198.db2.gz PZUNBYXHVIRPFD-UHFFFAOYSA-N 2 2 377.492 3.950 20 0 GHADLP C[NH+](C)CC1CC[NH+](Cc2ccc(Br)c(Br)c2)CC1 ZINC000506891213 852314597 /nfs/dbraw/zinc/31/45/97/852314597.db2.gz NTFHCCTYVPZEQX-UHFFFAOYSA-N 2 2 390.163 3.985 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638747159 852329204 /nfs/dbraw/zinc/32/92/04/852329204.db2.gz BKBWYJSRHNOFGA-DDKRZIBASA-N 3 2 397.607 3.712 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638747159 852329216 /nfs/dbraw/zinc/32/92/16/852329216.db2.gz BKBWYJSRHNOFGA-DDKRZIBASA-N 3 2 397.607 3.712 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000517784989 852426676 /nfs/dbraw/zinc/42/66/76/852426676.db2.gz PBJBMDKVKVWTDV-QFIPXVFZSA-N 2 2 382.504 3.991 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC[C@@]4(C3)CCc3ccccc3O4)C2)cc1 ZINC000516515053 852670162 /nfs/dbraw/zinc/67/01/62/852670162.db2.gz IUTDAGXDDZXACN-UKILVPOCSA-N 2 2 392.543 3.747 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC[C@@]4(C3)CCc3ccccc3O4)C2)cc1 ZINC000516515053 852670173 /nfs/dbraw/zinc/67/01/73/852670173.db2.gz IUTDAGXDDZXACN-UKILVPOCSA-N 2 2 392.543 3.747 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC[C@@]4(C3)CCc3ccccc3O4)C2)cc1 ZINC000516515053 852670180 /nfs/dbraw/zinc/67/01/80/852670180.db2.gz IUTDAGXDDZXACN-UKILVPOCSA-N 2 2 392.543 3.747 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC[C@@]4(C3)CCc3ccccc3O4)C2)cc1 ZINC000516515053 852670190 /nfs/dbraw/zinc/67/01/90/852670190.db2.gz IUTDAGXDDZXACN-UKILVPOCSA-N 2 2 392.543 3.747 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc(OC)c1OCc1ccccc1 ZINC000490032674 852717279 /nfs/dbraw/zinc/71/72/79/852717279.db2.gz RBZUQMUFJOOPFY-DEOSSOPVSA-N 2 2 396.531 3.858 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc(OC)c1OCc1ccccc1 ZINC000490032674 852717287 /nfs/dbraw/zinc/71/72/87/852717287.db2.gz RBZUQMUFJOOPFY-DEOSSOPVSA-N 2 2 396.531 3.858 20 0 GHADLP CCOc1cc(C[NH2+][C@@H](C)C[NH3+])cc(Br)c1OCc1ccccc1 ZINC000414946526 852815877 /nfs/dbraw/zinc/81/58/77/852815877.db2.gz SMOUQPJQTQHCCE-AWEZNQCLSA-N 2 2 393.325 3.864 20 0 GHADLP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000427330189 852987954 /nfs/dbraw/zinc/98/79/54/852987954.db2.gz MMWAVIJIIWFNMO-CRAIPNDOSA-N 2 2 381.923 3.512 20 0 GHADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439026009 853196878 /nfs/dbraw/zinc/19/68/78/853196878.db2.gz ZABYTWXTMOGOOT-QGZVFWFLSA-N 2 2 381.524 3.692 20 0 GHADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439026009 853196882 /nfs/dbraw/zinc/19/68/82/853196882.db2.gz ZABYTWXTMOGOOT-QGZVFWFLSA-N 2 2 381.524 3.692 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000439080771 853266511 /nfs/dbraw/zinc/26/65/11/853266511.db2.gz VVGLCVFESONDSV-AWEZNQCLSA-N 2 2 382.439 3.829 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000490800642 853272225 /nfs/dbraw/zinc/27/22/25/853272225.db2.gz ULHGQUYLVVSAEJ-FPOVZHCZSA-N 2 2 388.515 3.821 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000490800642 853272235 /nfs/dbraw/zinc/27/22/35/853272235.db2.gz ULHGQUYLVVSAEJ-FPOVZHCZSA-N 2 2 388.515 3.821 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000437587043 853302964 /nfs/dbraw/zinc/30/29/64/853302964.db2.gz DQSLFACQVIFFGY-FQEVSTJZSA-N 2 2 396.531 3.826 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000437587043 853302968 /nfs/dbraw/zinc/30/29/68/853302968.db2.gz DQSLFACQVIFFGY-FQEVSTJZSA-N 2 2 396.531 3.826 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000437587043 853302970 /nfs/dbraw/zinc/30/29/70/853302970.db2.gz DQSLFACQVIFFGY-FQEVSTJZSA-N 2 2 396.531 3.826 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000437587043 853302972 /nfs/dbraw/zinc/30/29/72/853302972.db2.gz DQSLFACQVIFFGY-FQEVSTJZSA-N 2 2 396.531 3.826 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(Cl)cc(Cl)cc3N(C)C)C2)CC1 ZINC000518449226 853352758 /nfs/dbraw/zinc/35/27/58/853352758.db2.gz HTZZQKKEVIBUKK-QGZVFWFLSA-N 2 2 399.410 3.660 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(Cl)cc(Cl)cc3N(C)C)C2)CC1 ZINC000518449226 853352764 /nfs/dbraw/zinc/35/27/64/853352764.db2.gz HTZZQKKEVIBUKK-QGZVFWFLSA-N 2 2 399.410 3.660 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000571802652 854160619 /nfs/dbraw/zinc/16/06/19/854160619.db2.gz LGWGYPWOSJBNEQ-GOSISDBHSA-N 2 2 397.588 3.809 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000441392313 854174190 /nfs/dbraw/zinc/17/41/90/854174190.db2.gz COCXUKVBAIQRQJ-KUWBRRTOSA-N 2 2 395.591 3.691 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000441392313 854174200 /nfs/dbraw/zinc/17/42/00/854174200.db2.gz COCXUKVBAIQRQJ-KUWBRRTOSA-N 2 2 395.591 3.691 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000441392313 854174205 /nfs/dbraw/zinc/17/42/05/854174205.db2.gz COCXUKVBAIQRQJ-KUWBRRTOSA-N 2 2 395.591 3.691 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000441392313 854174211 /nfs/dbraw/zinc/17/42/11/854174211.db2.gz COCXUKVBAIQRQJ-KUWBRRTOSA-N 2 2 395.591 3.691 20 0 GHADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000441394393 854177237 /nfs/dbraw/zinc/17/72/37/854177237.db2.gz OYTBFQAYMISQQU-PFATUAPWSA-N 2 2 395.591 3.983 20 0 GHADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000441394393 854177241 /nfs/dbraw/zinc/17/72/41/854177241.db2.gz OYTBFQAYMISQQU-PFATUAPWSA-N 2 2 395.591 3.983 20 0 GHADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000441394393 854177246 /nfs/dbraw/zinc/17/72/46/854177246.db2.gz OYTBFQAYMISQQU-PFATUAPWSA-N 2 2 395.591 3.983 20 0 GHADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000441394393 854177250 /nfs/dbraw/zinc/17/72/50/854177250.db2.gz OYTBFQAYMISQQU-PFATUAPWSA-N 2 2 395.591 3.983 20 0 GHADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000441403900 854200283 /nfs/dbraw/zinc/20/02/83/854200283.db2.gz GYBCWQYSWMSJHZ-NFBKMPQASA-N 2 2 395.591 3.563 20 0 GHADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000441403900 854200292 /nfs/dbraw/zinc/20/02/92/854200292.db2.gz GYBCWQYSWMSJHZ-NFBKMPQASA-N 2 2 395.591 3.563 20 0 GHADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000441403900 854200299 /nfs/dbraw/zinc/20/02/99/854200299.db2.gz GYBCWQYSWMSJHZ-NFBKMPQASA-N 2 2 395.591 3.563 20 0 GHADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000441403900 854200306 /nfs/dbraw/zinc/20/03/06/854200306.db2.gz GYBCWQYSWMSJHZ-NFBKMPQASA-N 2 2 395.591 3.563 20 0 GHADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000481964291 862571298 /nfs/dbraw/zinc/57/12/98/862571298.db2.gz DKVMYKAEJSELEY-MSOLQXFVSA-N 2 2 395.613 3.679 20 0 GHADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000765791552 854820464 /nfs/dbraw/zinc/82/04/64/854820464.db2.gz MUBWYLBMKBYSKW-PUHATCMVSA-N 2 2 384.495 3.571 20 0 GHADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000765791552 854820469 /nfs/dbraw/zinc/82/04/69/854820469.db2.gz MUBWYLBMKBYSKW-PUHATCMVSA-N 2 2 384.495 3.571 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(N2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168389766 854833907 /nfs/dbraw/zinc/83/39/07/854833907.db2.gz VRJFVFGBDIFQTG-UHFFFAOYSA-N 2 2 399.579 3.638 20 0 GHADLP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OCCC ZINC000765800374 854865380 /nfs/dbraw/zinc/86/53/80/854865380.db2.gz ZZTAIGCNTPODSE-YSIASYRMSA-N 2 2 376.541 3.778 20 0 GHADLP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1OCCC ZINC000765800374 854865384 /nfs/dbraw/zinc/86/53/84/854865384.db2.gz ZZTAIGCNTPODSE-YSIASYRMSA-N 2 2 376.541 3.778 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000589476899 854899637 /nfs/dbraw/zinc/89/96/37/854899637.db2.gz GXWKTOHFVWXCHI-UHFFFAOYSA-N 2 2 399.623 3.982 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(F)c(Cl)cc1Cl ZINC000482023535 862618184 /nfs/dbraw/zinc/61/81/84/862618184.db2.gz BDHPCRZHJRADJP-PXAZEXFGSA-N 2 2 390.330 3.726 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(F)c(Cl)cc1Cl ZINC000482023535 862618189 /nfs/dbraw/zinc/61/81/89/862618189.db2.gz BDHPCRZHJRADJP-PXAZEXFGSA-N 2 2 390.330 3.726 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441453849 854924644 /nfs/dbraw/zinc/92/46/44/854924644.db2.gz ZYLCMLCCDZYVOL-IFMALSPDSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441453849 854924653 /nfs/dbraw/zinc/92/46/53/854924653.db2.gz ZYLCMLCCDZYVOL-IFMALSPDSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000589838040 855158061 /nfs/dbraw/zinc/15/80/61/855158061.db2.gz RZUUIMOTNYBLQU-GFCCVEGCSA-N 2 2 377.311 3.947 20 0 GHADLP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001168002697 855620887 /nfs/dbraw/zinc/62/08/87/855620887.db2.gz UWTBVSIZZWIDPW-UFPRQQMNSA-N 2 2 377.573 3.722 20 0 GHADLP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001168002697 855620893 /nfs/dbraw/zinc/62/08/93/855620893.db2.gz UWTBVSIZZWIDPW-UFPRQQMNSA-N 2 2 377.573 3.722 20 0 GHADLP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)c2)CC1 ZINC000590871190 855637559 /nfs/dbraw/zinc/63/75/59/855637559.db2.gz UIFZOAQTVGACDI-JOCHJYFZSA-N 2 2 395.551 3.662 20 0 GHADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000591140026 855775053 /nfs/dbraw/zinc/77/50/53/855775053.db2.gz YRVDKPBXYDHUBV-LEWJYISDSA-N 2 2 397.588 3.838 20 0 GHADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000591140026 855775068 /nfs/dbraw/zinc/77/50/68/855775068.db2.gz YRVDKPBXYDHUBV-LEWJYISDSA-N 2 2 397.588 3.838 20 0 GHADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000591140026 855775070 /nfs/dbraw/zinc/77/50/70/855775070.db2.gz YRVDKPBXYDHUBV-LEWJYISDSA-N 2 2 397.588 3.838 20 0 GHADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000591140026 855775082 /nfs/dbraw/zinc/77/50/82/855775082.db2.gz YRVDKPBXYDHUBV-LEWJYISDSA-N 2 2 397.588 3.838 20 0 GHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@@H]3CCCN(Cc4ccccc4)C3=O)C2)CC1 ZINC000760818358 855853037 /nfs/dbraw/zinc/85/30/37/855853037.db2.gz CCLYDTYEHXKTDF-XZOQPEGZSA-N 2 2 383.580 3.622 20 0 GHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@@H]3CCCN(Cc4ccccc4)C3=O)C2)CC1 ZINC000760818358 855853045 /nfs/dbraw/zinc/85/30/45/855853045.db2.gz CCLYDTYEHXKTDF-XZOQPEGZSA-N 2 2 383.580 3.622 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000591463315 856002425 /nfs/dbraw/zinc/00/24/25/856002425.db2.gz HSGZEQCHJAZNGS-GCJKJVERSA-N 2 2 381.520 3.711 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000591463315 856002431 /nfs/dbraw/zinc/00/24/31/856002431.db2.gz HSGZEQCHJAZNGS-GCJKJVERSA-N 2 2 381.520 3.711 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(CN(c3cccc[nH+]3)[C@H]3CC[C@H]([NH3+])CC3)cc12 ZINC000895111014 856114945 /nfs/dbraw/zinc/11/49/45/856114945.db2.gz HVZXUSLMEIGZTD-WKILWMFISA-N 2 2 384.915 3.602 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCOc2ccc3c(C)cc(=O)oc3c2)[nH+]1 ZINC001168007673 856127480 /nfs/dbraw/zinc/12/74/80/856127480.db2.gz FWOMIHYJZUBWJA-SFHVURJKSA-N 2 2 393.487 3.760 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCOc2ccc3c(C)cc(=O)oc3c2)[nH+]1 ZINC001168007673 856127485 /nfs/dbraw/zinc/12/74/85/856127485.db2.gz FWOMIHYJZUBWJA-SFHVURJKSA-N 2 2 393.487 3.760 20 0 GHADLP COC(=O)c1ccc(Cl)c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000482168879 862768891 /nfs/dbraw/zinc/76/88/91/862768891.db2.gz YICNEETYTZQFAE-UHFFFAOYSA-N 2 2 386.923 3.923 20 0 GHADLP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccco1 ZINC000485245358 856257983 /nfs/dbraw/zinc/25/79/83/856257983.db2.gz MMDSAFKHOPGPKC-QAPCUYQASA-N 2 2 399.470 3.533 20 0 GHADLP C[C@H]([NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000282310050 856289706 /nfs/dbraw/zinc/28/97/06/856289706.db2.gz DKPJZASZRFFVOH-PXNSSMCTSA-N 2 2 375.476 3.829 20 0 GHADLP CN1C(=O)C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000507834201 856546349 /nfs/dbraw/zinc/54/63/49/856546349.db2.gz PUWDAWXMSCRGJE-FPOVZHCZSA-N 2 2 380.879 3.587 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000045737242 856759845 /nfs/dbraw/zinc/75/98/45/856759845.db2.gz VSBDQJJCAABAKN-UHFFFAOYSA-N 2 2 388.515 3.588 20 0 GHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000045737242 856759848 /nfs/dbraw/zinc/75/98/48/856759848.db2.gz VSBDQJJCAABAKN-UHFFFAOYSA-N 2 2 388.515 3.588 20 0 GHADLP CCCCc1oc2ccccc2c1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000508061699 856866313 /nfs/dbraw/zinc/86/63/13/856866313.db2.gz DFSKBYOWOWDXQD-FQEVSTJZSA-N 2 2 385.552 3.808 20 0 GHADLP CCCCc1oc2ccccc2c1C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000508061699 856866331 /nfs/dbraw/zinc/86/63/31/856866331.db2.gz DFSKBYOWOWDXQD-FQEVSTJZSA-N 2 2 385.552 3.808 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@H]([NH3+])c3cccc(Cl)c3)c2)C[C@H](C)O1 ZINC000169200699 857002957 /nfs/dbraw/zinc/00/29/57/857002957.db2.gz RAGYRWFPAWZTAV-QEEYODRMSA-N 2 2 387.911 3.588 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@H]([NH3+])c3cccc(Cl)c3)c2)C[C@H](C)O1 ZINC000169200699 857002971 /nfs/dbraw/zinc/00/29/71/857002971.db2.gz RAGYRWFPAWZTAV-QEEYODRMSA-N 2 2 387.911 3.588 20 0 GHADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253501 857051064 /nfs/dbraw/zinc/05/10/64/857051064.db2.gz SUUWVIFKWQRVJG-VKIFBMEASA-N 2 2 384.474 3.898 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CC(=O)Nc2ccccc2C)cc1 ZINC000665254262 857056943 /nfs/dbraw/zinc/05/69/43/857056943.db2.gz LNFMNZPXYOIBIE-HARLFGEKSA-N 2 2 395.547 3.846 20 0 GHADLP C[C@@H]1CCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000675273228 857130410 /nfs/dbraw/zinc/13/04/10/857130410.db2.gz KWXSOTRAHYOMES-HJNYFJLDSA-N 2 2 395.551 3.703 20 0 GHADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000665256733 857134287 /nfs/dbraw/zinc/13/42/87/857134287.db2.gz KSNPIVRQYVOPDF-UCNVEGJOSA-N 2 2 383.511 3.895 20 0 GHADLP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cnn1-c1cccc(Cl)c1 ZINC000658292749 857263233 /nfs/dbraw/zinc/26/32/33/857263233.db2.gz AXNKKOMYNCLZAH-YWZLYKJASA-N 2 2 388.943 3.738 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H](C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658315688 857358886 /nfs/dbraw/zinc/35/88/86/857358886.db2.gz ABEMWGZMHAKKRB-ISKFKSNPSA-N 3 2 397.607 3.522 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658315688 857358892 /nfs/dbraw/zinc/35/88/92/857358892.db2.gz ABEMWGZMHAKKRB-ISKFKSNPSA-N 3 2 397.607 3.522 20 0 GHADLP CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H](C(F)(F)F)C1 ZINC000520944436 857411557 /nfs/dbraw/zinc/41/15/57/857411557.db2.gz KUQCEJCNKMEEDO-ZIAGYGMSSA-N 2 2 398.404 3.859 20 0 GHADLP CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H](C(F)(F)F)C1 ZINC000520944436 857411559 /nfs/dbraw/zinc/41/15/59/857411559.db2.gz KUQCEJCNKMEEDO-ZIAGYGMSSA-N 2 2 398.404 3.859 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@H]1CC1CCCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000060892729 857485370 /nfs/dbraw/zinc/48/53/70/857485370.db2.gz OSTJUDVHAJEMNA-NRFANRHFSA-N 2 2 384.568 3.555 20 0 GHADLP O=C(CC[N@H+]1CCC[C@H]1CC1CCCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000060892729 857485374 /nfs/dbraw/zinc/48/53/74/857485374.db2.gz OSTJUDVHAJEMNA-NRFANRHFSA-N 2 2 384.568 3.555 20 0 GHADLP CC1(C)CC(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC(C)(C)[NH2+]1 ZINC000130970706 857619592 /nfs/dbraw/zinc/61/95/92/857619592.db2.gz YVOKFECEDSLTNY-PMACEKPBSA-N 2 2 395.551 3.720 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(CC[NH+](C)C)C2CCCC2)c(C)c1 ZINC000442239931 857644357 /nfs/dbraw/zinc/64/43/57/857644357.db2.gz VHBMYHVMQFUJIY-JOCHJYFZSA-N 2 2 397.567 3.757 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C2CCCCC2)cc1 ZINC000675886017 857661380 /nfs/dbraw/zinc/66/13/80/857661380.db2.gz LHYAWISKOBPCJN-HYBUGGRVSA-N 2 2 385.596 3.791 20 0 GHADLP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000676130560 857745212 /nfs/dbraw/zinc/74/52/12/857745212.db2.gz YYSACJDUSQKXSN-SFTDATJTSA-N 2 2 399.458 3.514 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000676478753 857910526 /nfs/dbraw/zinc/91/05/26/857910526.db2.gz OYSVABDTLMYRDW-IRLDBZIGSA-N 2 2 390.487 3.909 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000676478753 857910532 /nfs/dbraw/zinc/91/05/32/857910532.db2.gz OYSVABDTLMYRDW-IRLDBZIGSA-N 2 2 390.487 3.909 20 0 GHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000671757453 858004054 /nfs/dbraw/zinc/00/40/54/858004054.db2.gz KVXWCLGICUQCLF-AWEZNQCLSA-N 2 2 381.480 3.632 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000521535051 858084379 /nfs/dbraw/zinc/08/43/79/858084379.db2.gz FHCCDGFYIOXLDW-VQIMIIECSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000521535051 858084388 /nfs/dbraw/zinc/08/43/88/858084388.db2.gz FHCCDGFYIOXLDW-VQIMIIECSA-N 2 2 377.960 3.684 20 0 GHADLP CN(C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000442761084 858099506 /nfs/dbraw/zinc/09/95/06/858099506.db2.gz OZNJCMRFCHAAQW-INXDJGNKSA-N 2 2 395.522 3.588 20 0 GHADLP CN(C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000442761084 858099510 /nfs/dbraw/zinc/09/95/10/858099510.db2.gz OZNJCMRFCHAAQW-INXDJGNKSA-N 2 2 395.522 3.588 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000443021425 858299065 /nfs/dbraw/zinc/29/90/65/858299065.db2.gz NQMBHKSMMVWLNS-GOSISDBHSA-N 2 2 378.442 3.583 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000521854810 858379103 /nfs/dbraw/zinc/37/91/03/858379103.db2.gz MHFUASJXQSWZPO-NRFANRHFSA-N 2 2 399.583 3.526 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000521854810 858379110 /nfs/dbraw/zinc/37/91/10/858379110.db2.gz MHFUASJXQSWZPO-NRFANRHFSA-N 2 2 399.583 3.526 20 0 GHADLP CC[C@@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[N@H+](C)Cc1ccccc1 ZINC000521946861 858477295 /nfs/dbraw/zinc/47/72/95/858477295.db2.gz IQNGNWDVNFFPHQ-IRLDBZIGSA-N 2 2 394.563 3.836 20 0 GHADLP CC[C@@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[N@@H+](C)Cc1ccccc1 ZINC000521946861 858477298 /nfs/dbraw/zinc/47/72/98/858477298.db2.gz IQNGNWDVNFFPHQ-IRLDBZIGSA-N 2 2 394.563 3.836 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2ccc(C(F)(F)F)cc2)([NH+]2CCCCC2)CC1 ZINC000466156996 858517312 /nfs/dbraw/zinc/51/73/12/858517312.db2.gz ITLBAXQMTMQLTQ-UHFFFAOYSA-N 2 2 398.473 3.777 20 0 GHADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc(O[C@@H]4CCOC4)cc3)C2)n2c1CCCC2 ZINC000668104065 858769503 /nfs/dbraw/zinc/76/95/03/858769503.db2.gz ABCTYBKYXUIJFA-DENIHFKCSA-N 2 2 381.520 3.767 20 0 GHADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3ccc(O[C@@H]4CCOC4)cc3)C2)n2c1CCCC2 ZINC000668104065 858769512 /nfs/dbraw/zinc/76/95/12/858769512.db2.gz ABCTYBKYXUIJFA-DENIHFKCSA-N 2 2 381.520 3.767 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000443547749 858927775 /nfs/dbraw/zinc/92/77/75/858927775.db2.gz DFLSOQHODYBADL-KIZRIRGWSA-N 2 2 392.632 3.934 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000443547749 858927779 /nfs/dbraw/zinc/92/77/79/858927779.db2.gz DFLSOQHODYBADL-KIZRIRGWSA-N 2 2 392.632 3.934 20 0 GHADLP c1cc(C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668166956 858987935 /nfs/dbraw/zinc/98/79/35/858987935.db2.gz NOVWMKRQWWRHTJ-GOSISDBHSA-N 2 2 391.523 3.813 20 0 GHADLP c1cc(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668166956 858987941 /nfs/dbraw/zinc/98/79/41/858987941.db2.gz NOVWMKRQWWRHTJ-GOSISDBHSA-N 2 2 391.523 3.813 20 0 GHADLP Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C1)CC2 ZINC000482942657 858998248 /nfs/dbraw/zinc/99/82/48/858998248.db2.gz FCUOQCUGYCDFPA-WMZHIEFXSA-N 2 2 394.538 3.742 20 0 GHADLP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C1)CC2 ZINC000482942657 858998254 /nfs/dbraw/zinc/99/82/54/858998254.db2.gz FCUOQCUGYCDFPA-WMZHIEFXSA-N 2 2 394.538 3.742 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3csc(C(C)(C)C)n3)C2)ccn1 ZINC000856552925 881376712 /nfs/dbraw/zinc/37/67/12/881376712.db2.gz IPVMWUSEQPRTTQ-IBGZPJMESA-N 2 2 388.581 3.941 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3csc(C(C)(C)C)n3)C2)ccn1 ZINC000856552925 881376762 /nfs/dbraw/zinc/37/67/62/881376762.db2.gz IPVMWUSEQPRTTQ-IBGZPJMESA-N 2 2 388.581 3.941 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3csc(C(C)(C)C)n3)C2)ccn1 ZINC000856552925 881376844 /nfs/dbraw/zinc/37/68/44/881376844.db2.gz IPVMWUSEQPRTTQ-IBGZPJMESA-N 2 2 388.581 3.941 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3csc(C(C)(C)C)n3)C2)ccn1 ZINC000856552925 881376915 /nfs/dbraw/zinc/37/69/15/881376915.db2.gz IPVMWUSEQPRTTQ-IBGZPJMESA-N 2 2 388.581 3.941 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000191510407 859232248 /nfs/dbraw/zinc/23/22/48/859232248.db2.gz MEDSIIKXQUXZQO-UHFFFAOYSA-N 2 2 392.931 3.767 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000191510407 859232261 /nfs/dbraw/zinc/23/22/61/859232261.db2.gz MEDSIIKXQUXZQO-UHFFFAOYSA-N 2 2 392.931 3.767 20 0 GHADLP CN(C(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472841 859284373 /nfs/dbraw/zinc/28/43/73/859284373.db2.gz WRSFZZNWVFXBCY-QHCPKHFHSA-N 2 2 377.532 3.594 20 0 GHADLP CN(C(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472841 859284383 /nfs/dbraw/zinc/28/43/83/859284383.db2.gz WRSFZZNWVFXBCY-QHCPKHFHSA-N 2 2 377.532 3.594 20 0 GHADLP CN(C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478222 859288652 /nfs/dbraw/zinc/28/86/52/859288652.db2.gz XUFLVLMQMKGOGI-TUACAJSNSA-N 2 2 391.559 3.570 20 0 GHADLP CN(C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478222 859288665 /nfs/dbraw/zinc/28/86/65/859288665.db2.gz XUFLVLMQMKGOGI-TUACAJSNSA-N 2 2 391.559 3.570 20 0 GHADLP CN(C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479051 859291598 /nfs/dbraw/zinc/29/15/98/859291598.db2.gz TVXDPEPCQZPBSG-RBZQAINGSA-N 2 2 391.559 3.570 20 0 GHADLP CN(C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479051 859291609 /nfs/dbraw/zinc/29/16/09/859291609.db2.gz TVXDPEPCQZPBSG-RBZQAINGSA-N 2 2 391.559 3.570 20 0 GHADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(S(C)(=O)=O)c(Cl)c3)CC2)C1 ZINC000429412916 859306899 /nfs/dbraw/zinc/30/68/99/859306899.db2.gz QVHDJPADVOSPQA-QAPCUYQASA-N 2 2 399.000 3.876 20 0 GHADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000429416851 859313481 /nfs/dbraw/zinc/31/34/81/859313481.db2.gz LZWVYHISKQNCLX-KXBFYZLASA-N 2 2 399.000 3.876 20 0 GHADLP CC[N@H+](CC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)Cc1ccccc1Cl ZINC000509412033 859357796 /nfs/dbraw/zinc/35/77/96/859357796.db2.gz WOPAQFABEDUUNH-HXUWFJFHSA-N 2 2 399.966 3.800 20 0 GHADLP CC[N@@H+](CC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)Cc1ccccc1Cl ZINC000509412033 859357807 /nfs/dbraw/zinc/35/78/07/859357807.db2.gz WOPAQFABEDUUNH-HXUWFJFHSA-N 2 2 399.966 3.800 20 0 GHADLP CC[NH+](CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1Cl ZINC000509412033 859357816 /nfs/dbraw/zinc/35/78/16/859357816.db2.gz WOPAQFABEDUUNH-HXUWFJFHSA-N 2 2 399.966 3.800 20 0 GHADLP CC[NH+](CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1Cl ZINC000509412033 859357825 /nfs/dbraw/zinc/35/78/25/859357825.db2.gz WOPAQFABEDUUNH-HXUWFJFHSA-N 2 2 399.966 3.800 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120346594 881412568 /nfs/dbraw/zinc/41/25/68/881412568.db2.gz AZDMICVHXUNKKG-CQSZACIVSA-N 2 2 399.292 3.924 20 0 GHADLP CC[NH+](CC)CCOC1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000466731224 859374141 /nfs/dbraw/zinc/37/41/41/859374141.db2.gz LOZHECSFFHCJDM-UHFFFAOYSA-N 2 2 399.366 3.964 20 0 GHADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000509420544 859384959 /nfs/dbraw/zinc/38/49/59/859384959.db2.gz XLVJWQBCLJXWPE-MRXNPFEDSA-N 2 2 375.513 3.834 20 0 GHADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000509420544 859384970 /nfs/dbraw/zinc/38/49/70/859384970.db2.gz XLVJWQBCLJXWPE-MRXNPFEDSA-N 2 2 375.513 3.834 20 0 GHADLP COc1cc(C)cc(OC)c1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001143143900 859541144 /nfs/dbraw/zinc/54/11/44/859541144.db2.gz BXHCMUYQZDDOGS-SFTDATJTSA-N 2 2 380.532 3.966 20 0 GHADLP COc1cc(C)cc(OC)c1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001143143900 859541155 /nfs/dbraw/zinc/54/11/55/859541155.db2.gz BXHCMUYQZDDOGS-SFTDATJTSA-N 2 2 380.532 3.966 20 0 GHADLP COc1cc(C)cc(OC)c1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001143143900 859541164 /nfs/dbraw/zinc/54/11/64/859541164.db2.gz BXHCMUYQZDDOGS-SFTDATJTSA-N 2 2 380.532 3.966 20 0 GHADLP COc1cc(C)cc(OC)c1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001143143900 859541171 /nfs/dbraw/zinc/54/11/71/859541171.db2.gz BXHCMUYQZDDOGS-SFTDATJTSA-N 2 2 380.532 3.966 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cnn(-c2ccccc2)c1 ZINC000764634294 859541358 /nfs/dbraw/zinc/54/13/58/859541358.db2.gz DJEMWQXHRSCQPP-IBGZPJMESA-N 2 2 376.504 3.555 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000543397443 859568330 /nfs/dbraw/zinc/56/83/30/859568330.db2.gz NDOFDKVHIDWSKP-QGZVFWFLSA-N 2 2 397.473 3.733 20 0 GHADLP C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483734988 859572950 /nfs/dbraw/zinc/57/29/50/859572950.db2.gz YJXPTRCWZXLTHL-SFTDATJTSA-N 2 2 389.547 3.734 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(N4CCCCC4)nc3)CC2)cc1 ZINC000764991743 859720814 /nfs/dbraw/zinc/72/08/14/859720814.db2.gz VWKQWZSJSKIXOX-UHFFFAOYSA-N 2 2 393.579 3.897 20 0 GHADLP Clc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000532211365 881457562 /nfs/dbraw/zinc/45/75/62/881457562.db2.gz SPQNKBHQUQSJQB-QFIPXVFZSA-N 2 2 386.923 3.828 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3ncc4ccc(OCc5ccccc5)cc43)CC[C@@H]21 ZINC000765108259 859794194 /nfs/dbraw/zinc/79/41/94/859794194.db2.gz VRRMLRMOBPDMJJ-GGAORHGYSA-N 2 2 390.531 3.989 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ncc4ccc(OCc5ccccc5)cc43)CC[C@@H]21 ZINC000765108259 859794198 /nfs/dbraw/zinc/79/41/98/859794198.db2.gz VRRMLRMOBPDMJJ-GGAORHGYSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ncc4ccc(OCc5ccccc5)cc43)CC[C@@H]21 ZINC000765108259 859794202 /nfs/dbraw/zinc/79/42/02/859794202.db2.gz VRRMLRMOBPDMJJ-GGAORHGYSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ncc4ccc(OCc5ccccc5)cc43)CC[C@@H]21 ZINC000765108259 859794206 /nfs/dbraw/zinc/79/42/06/859794206.db2.gz VRRMLRMOBPDMJJ-GGAORHGYSA-N 2 2 390.531 3.989 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000484126035 859815697 /nfs/dbraw/zinc/81/56/97/859815697.db2.gz CWZXAJIHNXFKOU-WMQCIHAUSA-N 2 2 386.536 3.835 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000484126035 859815703 /nfs/dbraw/zinc/81/57/03/859815703.db2.gz CWZXAJIHNXFKOU-WMQCIHAUSA-N 2 2 386.536 3.835 20 0 GHADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1OC ZINC000484135806 859844415 /nfs/dbraw/zinc/84/44/15/859844415.db2.gz RZANVZLVLKUSIV-VCOUNFBDSA-N 2 2 398.547 3.546 20 0 GHADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1OC ZINC000484135806 859844425 /nfs/dbraw/zinc/84/44/25/859844425.db2.gz RZANVZLVLKUSIV-VCOUNFBDSA-N 2 2 398.547 3.546 20 0 GHADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1OC ZINC000484135771 859844947 /nfs/dbraw/zinc/84/49/47/859844947.db2.gz RZANVZLVLKUSIV-CZTZKLFOSA-N 2 2 398.547 3.546 20 0 GHADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1OC ZINC000484135771 859844955 /nfs/dbraw/zinc/84/49/55/859844955.db2.gz RZANVZLVLKUSIV-CZTZKLFOSA-N 2 2 398.547 3.546 20 0 GHADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1OCC(=O)N(C)C ZINC000765250377 859866076 /nfs/dbraw/zinc/86/60/76/859866076.db2.gz LQSYLKIAEZDLNS-ICSRJNTNSA-N 2 2 386.540 3.506 20 0 GHADLP O[C@]1(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484182679 859869165 /nfs/dbraw/zinc/86/91/65/859869165.db2.gz XXRZJORUUNXHMZ-GGAORHGYSA-N 2 2 378.516 3.660 20 0 GHADLP O[C@]1(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484182679 859869175 /nfs/dbraw/zinc/86/91/75/859869175.db2.gz XXRZJORUUNXHMZ-GGAORHGYSA-N 2 2 378.516 3.660 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)c(Cl)c2)CC1 ZINC000657849196 860036670 /nfs/dbraw/zinc/03/66/70/860036670.db2.gz GNSLAXYUULPXPR-LBPRGKRZSA-N 2 2 375.738 3.864 20 0 GHADLP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C12CCC2 ZINC001170385888 881501224 /nfs/dbraw/zinc/50/12/24/881501224.db2.gz KHFNOVPFKOHKTE-LEWJYISDSA-N 2 2 391.987 3.789 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000533848414 860241768 /nfs/dbraw/zinc/24/17/68/860241768.db2.gz SOYZFUFBZOGUPN-KSFYIVLOSA-N 2 2 389.503 3.728 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000533848414 860241779 /nfs/dbraw/zinc/24/17/79/860241779.db2.gz SOYZFUFBZOGUPN-KSFYIVLOSA-N 2 2 389.503 3.728 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000904639618 860540170 /nfs/dbraw/zinc/54/01/70/860540170.db2.gz JUYTZBIWZWGYPM-RTBURBONSA-N 2 2 390.890 3.895 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000904639618 860540183 /nfs/dbraw/zinc/54/01/83/860540183.db2.gz JUYTZBIWZWGYPM-RTBURBONSA-N 2 2 390.890 3.895 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000669672679 860578633 /nfs/dbraw/zinc/57/86/33/860578633.db2.gz WRPQGNKGBHAUGQ-QGZVFWFLSA-N 2 2 384.524 3.674 20 0 GHADLP Cc1cccc(N2CC[NH+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001168040220 860607399 /nfs/dbraw/zinc/60/73/99/860607399.db2.gz LHIIHBDYOFDRRY-SFTDATJTSA-N 2 2 378.564 3.954 20 0 GHADLP Cc1[nH]c(C2CCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CC2)[nH+]c1C ZINC000899504958 860914779 /nfs/dbraw/zinc/91/47/79/860914779.db2.gz CIBGDVNZUNARHX-UHFFFAOYSA-N 2 2 380.536 3.645 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623428489 861055334 /nfs/dbraw/zinc/05/53/34/861055334.db2.gz MLJMOKJPVNFXNZ-IRXDYDNUSA-N 2 2 384.467 3.740 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623428489 861055353 /nfs/dbraw/zinc/05/53/53/861055353.db2.gz MLJMOKJPVNFXNZ-IRXDYDNUSA-N 2 2 384.467 3.740 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623428487 861055831 /nfs/dbraw/zinc/05/58/31/861055831.db2.gz MLJMOKJPVNFXNZ-DLBZAZTESA-N 2 2 384.467 3.740 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623428487 861055842 /nfs/dbraw/zinc/05/58/42/861055842.db2.gz MLJMOKJPVNFXNZ-DLBZAZTESA-N 2 2 384.467 3.740 20 0 GHADLP COc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC1CC1 ZINC000623507712 861125358 /nfs/dbraw/zinc/12/53/58/861125358.db2.gz WZAFJHWBDZEENR-QFIPXVFZSA-N 2 2 396.531 3.617 20 0 GHADLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC1CC1 ZINC000623507712 861125360 /nfs/dbraw/zinc/12/53/60/861125360.db2.gz WZAFJHWBDZEENR-QFIPXVFZSA-N 2 2 396.531 3.617 20 0 GHADLP Brc1cccc2c1C[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000555523900 861153464 /nfs/dbraw/zinc/15/34/64/861153464.db2.gz JTOCOUOMGUHYCX-QGZVFWFLSA-N 2 2 386.337 3.960 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1nccn1C ZINC000182398369 863214106 /nfs/dbraw/zinc/21/41/06/863214106.db2.gz IDIYVUVPSNZYEZ-HXUWFJFHSA-N 2 2 389.547 3.593 20 0 GHADLP CCC(CC)(C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)[NH2+][C@@H](C)c1ccccc1 ZINC000183002287 863441340 /nfs/dbraw/zinc/44/13/40/863441340.db2.gz OSJYYHGYOQEDOJ-DFQSSKMNSA-N 2 2 380.598 3.841 20 0 GHADLP C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000606448360 863622016 /nfs/dbraw/zinc/62/20/16/863622016.db2.gz FRTFZYINJAMBLI-GOSISDBHSA-N 2 2 395.522 3.657 20 0 GHADLP C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000606448360 863622024 /nfs/dbraw/zinc/62/20/24/863622024.db2.gz FRTFZYINJAMBLI-GOSISDBHSA-N 2 2 395.522 3.657 20 0 GHADLP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000606580862 863730480 /nfs/dbraw/zinc/73/04/80/863730480.db2.gz HNRQIFPOOWVMRQ-XLIONFOSSA-N 2 2 377.492 3.851 20 0 GHADLP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC000606580862 863730482 /nfs/dbraw/zinc/73/04/82/863730482.db2.gz HNRQIFPOOWVMRQ-XLIONFOSSA-N 2 2 377.492 3.851 20 0 GHADLP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@H](O)C[NH+]3CCC(C)CC3)cs2)cs1 ZINC000158925864 863991255 /nfs/dbraw/zinc/99/12/55/863991255.db2.gz YHGHXNITLKMFGR-YOEHRIQHSA-N 2 2 379.595 3.923 20 0 GHADLP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(Br)cn1 ZINC000621277503 864015365 /nfs/dbraw/zinc/01/53/65/864015365.db2.gz LZCFRKDSJHHYTN-KGLIPLIRSA-N 2 2 382.346 3.595 20 0 GHADLP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(Br)cn1 ZINC000621277503 864015371 /nfs/dbraw/zinc/01/53/71/864015371.db2.gz LZCFRKDSJHHYTN-KGLIPLIRSA-N 2 2 382.346 3.595 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)NCc2ccn3cc[nH+]c3c2)CCCC1)c1ccccc1 ZINC000475092573 864144736 /nfs/dbraw/zinc/14/47/36/864144736.db2.gz DWZGMJRNZOPVRW-GOSISDBHSA-N 2 2 391.519 3.797 20 0 GHADLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cnn(C2CCCC2)c1 ZINC000554561274 864550864 /nfs/dbraw/zinc/55/08/64/864550864.db2.gz XCGDEJODOPCJQY-CVDCTZTESA-N 2 2 381.568 3.638 20 0 GHADLP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000554566242 864573461 /nfs/dbraw/zinc/57/34/61/864573461.db2.gz ZTIALINFWHZRLS-ROUUACIJSA-N 2 2 396.535 3.825 20 0 GHADLP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000554566242 864573463 /nfs/dbraw/zinc/57/34/63/864573463.db2.gz ZTIALINFWHZRLS-ROUUACIJSA-N 2 2 396.535 3.825 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1cnc2cc(F)c(F)cc21 ZINC000173512094 864841615 /nfs/dbraw/zinc/84/16/15/864841615.db2.gz PHAKTDMMAZVDTB-UHFFFAOYSA-N 2 2 385.462 3.906 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1cnc2cc(F)c(F)cc21 ZINC000173512094 864841633 /nfs/dbraw/zinc/84/16/33/864841633.db2.gz PHAKTDMMAZVDTB-UHFFFAOYSA-N 2 2 385.462 3.906 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1ccc2ccccc2c1 ZINC000607907426 864859281 /nfs/dbraw/zinc/85/92/81/864859281.db2.gz PQDWRBSKTSDJHM-UHFFFAOYSA-N 2 2 381.564 3.602 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1ccc2ccccc2c1 ZINC000607907426 864859287 /nfs/dbraw/zinc/85/92/87/864859287.db2.gz PQDWRBSKTSDJHM-UHFFFAOYSA-N 2 2 381.564 3.602 20 0 GHADLP CC[NH+](CC)CCC[N@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000554819499 864953770 /nfs/dbraw/zinc/95/37/70/864953770.db2.gz DWYFLBKWPXTTJX-UHFFFAOYSA-N 2 2 389.565 3.651 20 0 GHADLP CC[NH+](CC)CCC[N@@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000554819499 864953785 /nfs/dbraw/zinc/95/37/85/864953785.db2.gz DWYFLBKWPXTTJX-UHFFFAOYSA-N 2 2 389.565 3.651 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000608071765 864962704 /nfs/dbraw/zinc/96/27/04/864962704.db2.gz OFGSIZIOLATHHJ-HNNXBMFYSA-N 2 2 384.455 3.667 20 0 GHADLP COc1cc2c(c(C[NH2+][C@@H](Cc3[nH+]ccn3C)c3ccccc3)c1)O[C@@H](C)C2 ZINC000608074488 864965239 /nfs/dbraw/zinc/96/52/39/864965239.db2.gz SMOUFPBVXWTHOZ-KKSFZXQISA-N 2 2 377.488 3.826 20 0 GHADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)ccc21 ZINC000455950490 865057696 /nfs/dbraw/zinc/05/76/96/865057696.db2.gz ZMNSXRHMRFNIGP-FQEVSTJZSA-N 2 2 393.466 3.882 20 0 GHADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC000622614888 865114386 /nfs/dbraw/zinc/11/43/86/865114386.db2.gz ALWDBNYNTBJWBF-HXUWFJFHSA-N 2 2 388.943 3.604 20 0 GHADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC000622614888 865114395 /nfs/dbraw/zinc/11/43/95/865114395.db2.gz ALWDBNYNTBJWBF-HXUWFJFHSA-N 2 2 388.943 3.604 20 0 GHADLP Brc1ccc2[nH+]ccc(N3CC[NH+](Cc4ccncc4)CC3)c2c1 ZINC000301070337 865134836 /nfs/dbraw/zinc/13/48/36/865134836.db2.gz BNRJMFHTQWKICH-UHFFFAOYSA-N 2 2 383.293 3.715 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@H]32)cc1 ZINC000301707589 865502531 /nfs/dbraw/zinc/50/25/31/865502531.db2.gz JBQSZDFSCNUDPW-FGZHOGPDSA-N 2 2 391.563 3.958 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@H]32)cc1 ZINC000301707589 865502540 /nfs/dbraw/zinc/50/25/40/865502540.db2.gz JBQSZDFSCNUDPW-FGZHOGPDSA-N 2 2 391.563 3.958 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cnn1-c1ccc(Cl)cc1Cl ZINC000481023882 865697047 /nfs/dbraw/zinc/69/70/47/865697047.db2.gz NMVAIROBWXVGKK-CJNGLKHVSA-N 2 2 397.350 3.595 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NCc1ccc(Cl)cc1 ZINC000481169864 865914861 /nfs/dbraw/zinc/91/48/61/865914861.db2.gz JEXUEPNIHHAUIE-NPPFBWRTSA-N 2 2 399.966 3.845 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NCc1ccc(Cl)cc1 ZINC000481169864 865914873 /nfs/dbraw/zinc/91/48/73/865914873.db2.gz JEXUEPNIHHAUIE-NPPFBWRTSA-N 2 2 399.966 3.845 20 0 GHADLP CN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000665717573 865929420 /nfs/dbraw/zinc/92/94/20/865929420.db2.gz ILDCKSGSDFVUQJ-MDNUFGMLSA-N 2 2 398.595 3.523 20 0 GHADLP CN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000665717573 865929432 /nfs/dbraw/zinc/92/94/32/865929432.db2.gz ILDCKSGSDFVUQJ-MDNUFGMLSA-N 2 2 398.595 3.523 20 0 GHADLP CN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000665717574 865929737 /nfs/dbraw/zinc/92/97/37/865929737.db2.gz ILDCKSGSDFVUQJ-PMVMPFDFSA-N 2 2 398.595 3.523 20 0 GHADLP CN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000665717574 865929747 /nfs/dbraw/zinc/92/97/47/865929747.db2.gz ILDCKSGSDFVUQJ-PMVMPFDFSA-N 2 2 398.595 3.523 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(F)c1 ZINC000481178641 865934621 /nfs/dbraw/zinc/93/46/21/865934621.db2.gz SPIQKXGLQCTTAW-BBTUJRGHSA-N 2 2 383.511 3.961 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(F)c1 ZINC000481178641 865934626 /nfs/dbraw/zinc/93/46/26/865934626.db2.gz SPIQKXGLQCTTAW-BBTUJRGHSA-N 2 2 383.511 3.961 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(F)cc1F ZINC000481181132 865940763 /nfs/dbraw/zinc/94/07/63/865940763.db2.gz YUGMFNMQMNFWHA-FTRWYGJKSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(F)cc1F ZINC000481181132 865940770 /nfs/dbraw/zinc/94/07/70/865940770.db2.gz YUGMFNMQMNFWHA-FTRWYGJKSA-N 2 2 387.474 3.792 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481182635 865944983 /nfs/dbraw/zinc/94/49/83/865944983.db2.gz YULUXMOKGAMTSU-AWRGLXIESA-N 2 2 393.575 3.842 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481182635 865944993 /nfs/dbraw/zinc/94/49/93/865944993.db2.gz YULUXMOKGAMTSU-AWRGLXIESA-N 2 2 393.575 3.842 20 0 GHADLP COc1cccc2c(NCc3ccccc3C[N@@H+]3CCC[C@H]3CO)cc[nH+]c12 ZINC000302871625 865965505 /nfs/dbraw/zinc/96/55/05/865965505.db2.gz CAELLTUPDYFSHE-IBGZPJMESA-N 2 2 377.488 3.812 20 0 GHADLP COc1cccc2c(NCc3ccccc3C[N@H+]3CCC[C@H]3CO)cc[nH+]c12 ZINC000302871625 865965511 /nfs/dbraw/zinc/96/55/11/865965511.db2.gz CAELLTUPDYFSHE-IBGZPJMESA-N 2 2 377.488 3.812 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNc2cc(N3CCSCC3)[nH+]cn2)[C@@H]1c1cccs1 ZINC000302872762 865966233 /nfs/dbraw/zinc/96/62/33/865966233.db2.gz CEVPXWSMTVWSKO-HNAYVOBHSA-N 2 2 389.594 3.586 20 0 GHADLP C[N@H+]1CCC[C@@H](CNc2cc(N3CCSCC3)[nH+]cn2)[C@@H]1c1cccs1 ZINC000302872762 865966248 /nfs/dbraw/zinc/96/62/48/865966248.db2.gz CEVPXWSMTVWSKO-HNAYVOBHSA-N 2 2 389.594 3.586 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNc2cc(N3CCSCC3)nc[nH+]2)[C@@H]1c1cccs1 ZINC000302872762 865966259 /nfs/dbraw/zinc/96/62/59/865966259.db2.gz CEVPXWSMTVWSKO-HNAYVOBHSA-N 2 2 389.594 3.586 20 0 GHADLP C[N@H+]1CCC[C@@H](CNc2cc(N3CCSCC3)nc[nH+]2)[C@@H]1c1cccs1 ZINC000302872762 865966264 /nfs/dbraw/zinc/96/62/64/865966264.db2.gz CEVPXWSMTVWSKO-HNAYVOBHSA-N 2 2 389.594 3.586 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCc2sccc2C1 ZINC000481209494 866013141 /nfs/dbraw/zinc/01/31/41/866013141.db2.gz ZCGSDQSEWWOBCD-LVCYWYKZSA-N 2 2 397.588 3.522 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCc2sccc2C1 ZINC000481209494 866013157 /nfs/dbraw/zinc/01/31/57/866013157.db2.gz ZCGSDQSEWWOBCD-LVCYWYKZSA-N 2 2 397.588 3.522 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)CO[C@H]1CCCc2ccccc21 ZINC000552838482 866331537 /nfs/dbraw/zinc/33/15/37/866331537.db2.gz VDFCMJITTQSCQJ-CVDCTZTESA-N 2 2 395.478 3.556 20 0 GHADLP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Nc1ccccc1F ZINC000534232324 866380907 /nfs/dbraw/zinc/38/09/07/866380907.db2.gz GJMVEYQJXABUDP-UHFFFAOYSA-N 2 2 381.495 3.752 20 0 GHADLP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1ccccc1F ZINC000534232324 866380925 /nfs/dbraw/zinc/38/09/25/866380925.db2.gz GJMVEYQJXABUDP-UHFFFAOYSA-N 2 2 381.495 3.752 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(-n4ccnc4)c(F)c3)CC2)cc1 ZINC000153653287 867007090 /nfs/dbraw/zinc/00/70/90/867007090.db2.gz QLZIMKREACEOHZ-UHFFFAOYSA-N 2 2 396.485 3.947 20 0 GHADLP C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000153717084 867041173 /nfs/dbraw/zinc/04/11/73/867041173.db2.gz FTGHLPIUNRRPCP-FXAWDEMLSA-N 2 2 382.533 3.658 20 0 GHADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479080535 867144971 /nfs/dbraw/zinc/14/49/71/867144971.db2.gz NVLIFKPSFZDGGW-VQIMIIECSA-N 2 2 399.348 3.722 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000742377913 867270812 /nfs/dbraw/zinc/27/08/12/867270812.db2.gz KQOFSYKIRKTAMZ-UHFFFAOYSA-N 2 2 399.535 3.537 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(-n4ccnc4)cc3)CC2)cc1 ZINC000742378290 867271048 /nfs/dbraw/zinc/27/10/48/867271048.db2.gz PPOOAGJKSIMMNK-UHFFFAOYSA-N 2 2 375.520 3.697 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3occc3Br)CC2)cc1 ZINC000742378532 867271872 /nfs/dbraw/zinc/27/18/72/867271872.db2.gz TXNVXGPGPYBXDJ-UHFFFAOYSA-N 2 2 378.314 3.867 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2[nH+]c(C)cn2c1)Cc1ccccc1 ZINC000523421639 867292576 /nfs/dbraw/zinc/29/25/76/867292576.db2.gz KYPXDMMMZWLDEY-HXUWFJFHSA-N 2 2 379.508 3.717 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)C[C@H](C)O1 ZINC000194250922 882130724 /nfs/dbraw/zinc/13/07/24/882130724.db2.gz KBIQJUSRJTWVSX-KDURUIRLSA-N 2 2 390.531 3.976 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)C[C@H](C)O1 ZINC000194250922 882130746 /nfs/dbraw/zinc/13/07/46/882130746.db2.gz KBIQJUSRJTWVSX-KDURUIRLSA-N 2 2 390.531 3.976 20 0 GHADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000479830969 868578006 /nfs/dbraw/zinc/57/80/06/868578006.db2.gz PSESJSFWUVGWFT-IRXDYDNUSA-N 2 2 393.601 3.761 20 0 GHADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000479830969 868578010 /nfs/dbraw/zinc/57/80/10/868578010.db2.gz PSESJSFWUVGWFT-IRXDYDNUSA-N 2 2 393.601 3.761 20 0 GHADLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+](CC(C)C)C2CC2)c1=S ZINC000075582020 868661796 /nfs/dbraw/zinc/66/17/96/868661796.db2.gz XFJWACPDYUNGEO-UHFFFAOYSA-N 2 2 377.602 3.706 20 0 GHADLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+](CC(C)C)C2CC2)c1=S ZINC000075582020 868661813 /nfs/dbraw/zinc/66/18/13/868661813.db2.gz XFJWACPDYUNGEO-UHFFFAOYSA-N 2 2 377.602 3.706 20 0 GHADLP CC[C@@H](C)[C@H]([NH2+]CCCn1cc[nH+]c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000539493496 869215092 /nfs/dbraw/zinc/21/50/92/869215092.db2.gz TUKWMGQILXUGQP-OFNKIYASSA-N 2 2 396.579 3.759 20 0 GHADLP CCCOc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1OC ZINC000428430561 869346887 /nfs/dbraw/zinc/34/68/87/869346887.db2.gz IESBZIOSQUNPPE-XMMPIXPASA-N 2 2 398.547 3.553 20 0 GHADLP CCCOc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1OC ZINC000428430561 869346897 /nfs/dbraw/zinc/34/68/97/869346897.db2.gz IESBZIOSQUNPPE-XMMPIXPASA-N 2 2 398.547 3.553 20 0 GHADLP CCCOc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000428430561 869346903 /nfs/dbraw/zinc/34/69/03/869346903.db2.gz IESBZIOSQUNPPE-XMMPIXPASA-N 2 2 398.547 3.553 20 0 GHADLP CCCOc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000428430561 869346911 /nfs/dbraw/zinc/34/69/11/869346911.db2.gz IESBZIOSQUNPPE-XMMPIXPASA-N 2 2 398.547 3.553 20 0 GHADLP C[C@@H]1[C@H](C(F)(F)F)CC[NH+]1CC1(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)COC1 ZINC000470943403 869427982 /nfs/dbraw/zinc/42/79/82/869427982.db2.gz FSLWWZADZXABJX-SYQHCUMBSA-N 2 2 388.396 3.548 20 0 GHADLP C[C@@H]1[C@H](C(F)(F)F)CC[NH+]1CC1(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)COC1 ZINC000470943403 869427983 /nfs/dbraw/zinc/42/79/83/869427983.db2.gz FSLWWZADZXABJX-SYQHCUMBSA-N 2 2 388.396 3.548 20 0 GHADLP C[C@@H]1[C@@H](C(F)(F)F)CC[NH+]1CC1(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)COC1 ZINC000470943403 869427988 /nfs/dbraw/zinc/42/79/88/869427988.db2.gz FSLWWZADZXABJX-SYQHCUMBSA-N 2 2 388.396 3.548 20 0 GHADLP C[C@@H]1[C@@H](C(F)(F)F)CC[NH+]1CC1(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)COC1 ZINC000470943403 869427993 /nfs/dbraw/zinc/42/79/93/869427993.db2.gz FSLWWZADZXABJX-SYQHCUMBSA-N 2 2 388.396 3.548 20 0 GHADLP CC(C)O[C@H](C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000428432680 869462439 /nfs/dbraw/zinc/46/24/39/869462439.db2.gz FAHABRMUGPLQTA-RPWUZVMVSA-N 2 2 382.548 3.722 20 0 GHADLP CC(C)O[C@H](C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000428432680 869462445 /nfs/dbraw/zinc/46/24/45/869462445.db2.gz FAHABRMUGPLQTA-RPWUZVMVSA-N 2 2 382.548 3.722 20 0 GHADLP CC(C)O[C@H](C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000428432680 869462447 /nfs/dbraw/zinc/46/24/47/869462447.db2.gz FAHABRMUGPLQTA-RPWUZVMVSA-N 2 2 382.548 3.722 20 0 GHADLP CC(C)O[C@H](C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000428432680 869462450 /nfs/dbraw/zinc/46/24/50/869462450.db2.gz FAHABRMUGPLQTA-RPWUZVMVSA-N 2 2 382.548 3.722 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1csc(Cl)c1 ZINC000191213134 882389415 /nfs/dbraw/zinc/38/94/15/882389415.db2.gz OCCPMWVJQVWTMN-HNNXBMFYSA-N 2 2 380.941 3.963 20 0 GHADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000122082927 882394072 /nfs/dbraw/zinc/39/40/72/882394072.db2.gz QFIITOFRCMNMEL-JOCHJYFZSA-N 2 2 394.563 3.960 20 0 GHADLP CC(C)c1ncc(C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)s1 ZINC000538732165 870463266 /nfs/dbraw/zinc/46/32/66/870463266.db2.gz PBGDVHGKPQTOEK-UHFFFAOYSA-N 2 2 388.581 3.529 20 0 GHADLP CCn1c2ccccc2nc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000538724984 870521954 /nfs/dbraw/zinc/52/19/54/870521954.db2.gz MJTOKWCTXKQEBL-UHFFFAOYSA-N 3 2 397.611 3.684 20 0 GHADLP CCn1c2ccccc2nc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000538724984 870521969 /nfs/dbraw/zinc/52/19/69/870521969.db2.gz MJTOKWCTXKQEBL-UHFFFAOYSA-N 3 2 397.611 3.684 20 0 GHADLP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)CCC[NH+]3CCCC3)c2)cc1 ZINC000467516363 870575555 /nfs/dbraw/zinc/57/55/55/870575555.db2.gz JKCPKGSEVOXMAB-UHFFFAOYSA-N 2 2 381.520 3.865 20 0 GHADLP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)CCC[NH+]3CCCC3)c2)cc1 ZINC000467516363 870575570 /nfs/dbraw/zinc/57/55/70/870575570.db2.gz JKCPKGSEVOXMAB-UHFFFAOYSA-N 2 2 381.520 3.865 20 0 GHADLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000248717753 870604417 /nfs/dbraw/zinc/60/44/17/870604417.db2.gz NYASHYHWZREBJP-ZTFGCOKTSA-N 2 2 392.425 3.590 20 0 GHADLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000248717753 870604420 /nfs/dbraw/zinc/60/44/20/870604420.db2.gz NYASHYHWZREBJP-ZTFGCOKTSA-N 2 2 392.425 3.590 20 0 GHADLP FC(F)Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248781175 870631636 /nfs/dbraw/zinc/63/16/36/870631636.db2.gz XDQASHKUVJIAMW-KGLIPLIRSA-N 2 2 375.257 3.767 20 0 GHADLP FC(F)Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248781175 870631638 /nfs/dbraw/zinc/63/16/38/870631638.db2.gz XDQASHKUVJIAMW-KGLIPLIRSA-N 2 2 375.257 3.767 20 0 GHADLP C[C@H]1[C@H](C)[N@H+](C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000538929864 870908159 /nfs/dbraw/zinc/90/81/59/870908159.db2.gz ZVUSKIPWUXJBRJ-HOTGVXAUSA-N 2 2 395.576 3.949 20 0 GHADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000538929864 870908166 /nfs/dbraw/zinc/90/81/66/870908166.db2.gz ZVUSKIPWUXJBRJ-HOTGVXAUSA-N 2 2 395.576 3.949 20 0 GHADLP C[N@H+](CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000463138466 870988171 /nfs/dbraw/zinc/98/81/71/870988171.db2.gz XQAARHSTHCPUJX-UHFFFAOYSA-N 3 2 383.555 3.944 20 0 GHADLP C[N@@H+](CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000463138466 870988188 /nfs/dbraw/zinc/98/81/88/870988188.db2.gz XQAARHSTHCPUJX-UHFFFAOYSA-N 3 2 383.555 3.944 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CCOCC2)cc1 ZINC000089594500 870998764 /nfs/dbraw/zinc/99/87/64/870998764.db2.gz ZGRRRPSZPFDKEI-LJQANCHMSA-N 2 2 382.552 3.866 20 0 GHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000509651800 871040212 /nfs/dbraw/zinc/04/02/12/871040212.db2.gz NWJAOZISSUEGGG-UHFFFAOYSA-N 2 2 393.487 3.579 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000463200596 871169221 /nfs/dbraw/zinc/16/92/21/871169221.db2.gz BZHPWZHVLDUNAS-MOUTVQLLSA-N 2 2 386.580 3.683 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000463200596 871169226 /nfs/dbraw/zinc/16/92/26/871169226.db2.gz BZHPWZHVLDUNAS-MOUTVQLLSA-N 2 2 386.580 3.683 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000463200596 871169232 /nfs/dbraw/zinc/16/92/32/871169232.db2.gz BZHPWZHVLDUNAS-MOUTVQLLSA-N 2 2 386.580 3.683 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000463200596 871169236 /nfs/dbraw/zinc/16/92/36/871169236.db2.gz BZHPWZHVLDUNAS-MOUTVQLLSA-N 2 2 386.580 3.683 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C3CCCCC3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000463283771 871330300 /nfs/dbraw/zinc/33/03/00/871330300.db2.gz PYAZGHFUEKGEKR-NWSQWKLXSA-N 2 2 383.580 3.953 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C3CCCCC3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000463283771 871330319 /nfs/dbraw/zinc/33/03/19/871330319.db2.gz PYAZGHFUEKGEKR-NWSQWKLXSA-N 2 2 383.580 3.953 20 0 GHADLP C[C@@H]1OCC[C@@]12C[N@H+](C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1)CCO2 ZINC001194066029 871470416 /nfs/dbraw/zinc/47/04/16/871470416.db2.gz DATOWWPNPVCNNF-GVXSCFBNSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1OCC[C@@]12C[N@@H+](C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1)CCO2 ZINC001194066029 871470418 /nfs/dbraw/zinc/47/04/18/871470418.db2.gz DATOWWPNPVCNNF-GVXSCFBNSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1OCC[C@@]12C[NH+](C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)CCO2 ZINC001194066029 871470423 /nfs/dbraw/zinc/47/04/23/871470423.db2.gz DATOWWPNPVCNNF-GVXSCFBNSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1OCC[C@@]12C[NH+](C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)CCO2 ZINC001194066029 871470425 /nfs/dbraw/zinc/47/04/25/871470425.db2.gz DATOWWPNPVCNNF-GVXSCFBNSA-N 2 2 394.559 3.782 20 0 GHADLP O=c1c(Nc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)cccn1CC1CC1 ZINC001169447915 871509722 /nfs/dbraw/zinc/50/97/22/871509722.db2.gz LJDNFRWTZXOGFO-GOSISDBHSA-N 2 2 377.492 3.666 20 0 GHADLP CCOC(=O)N1CCC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)CC1 ZINC001169668113 871737641 /nfs/dbraw/zinc/73/76/41/871737641.db2.gz FGIVNHFGSPJMEB-MRXNPFEDSA-N 2 2 379.932 3.601 20 0 GHADLP Cn1c[nH+]cc1-c1cccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001194907110 872024387 /nfs/dbraw/zinc/02/43/87/872024387.db2.gz KWPOTGDHWIYINT-HXUWFJFHSA-N 2 2 388.515 3.729 20 0 GHADLP Cn1c[nH+]cc1-c1cccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001194907110 872024406 /nfs/dbraw/zinc/02/44/06/872024406.db2.gz KWPOTGDHWIYINT-HXUWFJFHSA-N 2 2 388.515 3.729 20 0 GHADLP CC(C)[C@@H](CO)[C@@H]([NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)C(C)C ZINC001170442790 882570725 /nfs/dbraw/zinc/57/07/25/882570725.db2.gz ITHIJHBPTXLYGG-YADHBBJMSA-N 2 2 396.019 3.731 20 0 GHADLP COc1cccc(OC(F)(F)F)c1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000552099039 872053877 /nfs/dbraw/zinc/05/38/77/872053877.db2.gz XFYLRHMVVYAREN-UHFFFAOYSA-N 2 2 381.398 3.747 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(OCc2cccnc2)c1 ZINC000447723991 872211894 /nfs/dbraw/zinc/21/18/94/872211894.db2.gz SMWDPRFVIYDZOX-NRFANRHFSA-N 2 2 395.547 3.833 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(OCc2cccnc2)c1 ZINC000447723991 872211913 /nfs/dbraw/zinc/21/19/13/872211913.db2.gz SMWDPRFVIYDZOX-NRFANRHFSA-N 2 2 395.547 3.833 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(OCc2cccnc2)c1 ZINC000447723991 872211923 /nfs/dbraw/zinc/21/19/23/872211923.db2.gz SMWDPRFVIYDZOX-NRFANRHFSA-N 2 2 395.547 3.833 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(OCc2cccnc2)c1 ZINC000447723991 872211938 /nfs/dbraw/zinc/21/19/38/872211938.db2.gz SMWDPRFVIYDZOX-NRFANRHFSA-N 2 2 395.547 3.833 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2OCc2cccnc2)C[C@@H]1C ZINC000447724102 872212304 /nfs/dbraw/zinc/21/23/04/872212304.db2.gz TXOOZLRKUNDHNY-GHTZIAJQSA-N 2 2 383.536 3.974 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2OCc2cccnc2)C[C@@H]1C ZINC000447724102 872212324 /nfs/dbraw/zinc/21/23/24/872212324.db2.gz TXOOZLRKUNDHNY-GHTZIAJQSA-N 2 2 383.536 3.974 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)cc2OCc2cccnc2)C[C@@H]1C ZINC000447724102 872212344 /nfs/dbraw/zinc/21/23/44/872212344.db2.gz TXOOZLRKUNDHNY-GHTZIAJQSA-N 2 2 383.536 3.974 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)cc2OCc2cccnc2)C[C@@H]1C ZINC000447724102 872212359 /nfs/dbraw/zinc/21/23/59/872212359.db2.gz TXOOZLRKUNDHNY-GHTZIAJQSA-N 2 2 383.536 3.974 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)[C@H](C)C1 ZINC000093639408 872310679 /nfs/dbraw/zinc/31/06/79/872310679.db2.gz FKKPKQMGJJPTLZ-VLIAUNLRSA-N 2 2 376.495 3.929 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)[C@H](C)C1 ZINC000093639408 872310688 /nfs/dbraw/zinc/31/06/88/872310688.db2.gz FKKPKQMGJJPTLZ-VLIAUNLRSA-N 2 2 376.495 3.929 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)[C@H](C)C1 ZINC000093639408 872310707 /nfs/dbraw/zinc/31/07/07/872310707.db2.gz FKKPKQMGJJPTLZ-VLIAUNLRSA-N 2 2 376.495 3.929 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)[C@H](C)C1 ZINC000093639408 872310716 /nfs/dbraw/zinc/31/07/16/872310716.db2.gz FKKPKQMGJJPTLZ-VLIAUNLRSA-N 2 2 376.495 3.929 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[N@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000526998183 872395300 /nfs/dbraw/zinc/39/53/00/872395300.db2.gz OBRZKYVUFPSSTP-AZUAARDMSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[N@@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000526998183 872395318 /nfs/dbraw/zinc/39/53/18/872395318.db2.gz OBRZKYVUFPSSTP-AZUAARDMSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[N@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000526998183 872395337 /nfs/dbraw/zinc/39/53/37/872395337.db2.gz OBRZKYVUFPSSTP-AZUAARDMSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[N@@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000526998183 872395356 /nfs/dbraw/zinc/39/53/56/872395356.db2.gz OBRZKYVUFPSSTP-AZUAARDMSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1F ZINC000552336609 872492980 /nfs/dbraw/zinc/49/29/80/872492980.db2.gz GORIEXHURDSMQO-IMOOIFFWSA-N 2 2 395.950 3.849 20 0 GHADLP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1F ZINC000552336609 872492989 /nfs/dbraw/zinc/49/29/89/872492989.db2.gz GORIEXHURDSMQO-IMOOIFFWSA-N 2 2 395.950 3.849 20 0 GHADLP Cc1cc(Br)cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1OC(F)F ZINC000478272495 872763061 /nfs/dbraw/zinc/76/30/61/872763061.db2.gz LIKNVLFCZBVAPX-FZMZJTMJSA-N 2 2 377.273 3.931 20 0 GHADLP Cc1cc(Br)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1OC(F)F ZINC000478272495 872763071 /nfs/dbraw/zinc/76/30/71/872763071.db2.gz LIKNVLFCZBVAPX-FZMZJTMJSA-N 2 2 377.273 3.931 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[C@H]1c1ccccc1 ZINC000541186490 873114447 /nfs/dbraw/zinc/11/44/47/873114447.db2.gz CQELJKSFCYBLTE-FCHUYYIVSA-N 2 2 395.551 3.530 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[C@H]1c1ccccc1 ZINC000541186490 873114452 /nfs/dbraw/zinc/11/44/52/873114452.db2.gz CQELJKSFCYBLTE-FCHUYYIVSA-N 2 2 395.551 3.530 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191990191 882694724 /nfs/dbraw/zinc/69/47/24/882694724.db2.gz QMPYLYKJSNHLAQ-UHFFFAOYSA-N 2 2 376.504 3.905 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191990191 882694735 /nfs/dbraw/zinc/69/47/35/882694735.db2.gz QMPYLYKJSNHLAQ-UHFFFAOYSA-N 2 2 376.504 3.905 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)cs2)cn1 ZINC000527649384 873401774 /nfs/dbraw/zinc/40/17/74/873401774.db2.gz FGWJJEUQBMKEEB-HNNXBMFYSA-N 2 2 387.578 3.607 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cs2)cn1 ZINC000527649384 873401781 /nfs/dbraw/zinc/40/17/81/873401781.db2.gz FGWJJEUQBMKEEB-HNNXBMFYSA-N 2 2 387.578 3.607 20 0 GHADLP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)COc1ccc(Oc3ccccc3)cc1)CC2 ZINC000541336869 873420349 /nfs/dbraw/zinc/42/03/49/873420349.db2.gz LJUKQKWQXSPYDW-HXUWFJFHSA-N 2 2 396.531 3.779 20 0 GHADLP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)COc1ccc(Oc3ccccc3)cc1)CC2 ZINC000541336869 873420354 /nfs/dbraw/zinc/42/03/54/873420354.db2.gz LJUKQKWQXSPYDW-HXUWFJFHSA-N 2 2 396.531 3.779 20 0 GHADLP COc1cccc(OCC[NH+]2C[C@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001196960044 873498963 /nfs/dbraw/zinc/49/89/63/873498963.db2.gz CSQHOOFISTVRHL-DNQXCXABSA-N 2 2 380.532 3.918 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1OCc1ccncc1 ZINC000537646829 882732357 /nfs/dbraw/zinc/73/23/57/882732357.db2.gz AZFHIMZIOPDELS-JOCHJYFZSA-N 2 2 395.547 3.833 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1OCc1ccncc1 ZINC000537646829 882732368 /nfs/dbraw/zinc/73/23/68/882732368.db2.gz AZFHIMZIOPDELS-JOCHJYFZSA-N 2 2 395.547 3.833 20 0 GHADLP COc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1OCc1ccncc1 ZINC000537646829 882732377 /nfs/dbraw/zinc/73/23/77/882732377.db2.gz AZFHIMZIOPDELS-JOCHJYFZSA-N 2 2 395.547 3.833 20 0 GHADLP COc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1OCc1ccncc1 ZINC000537646829 882732382 /nfs/dbraw/zinc/73/23/82/882732382.db2.gz AZFHIMZIOPDELS-JOCHJYFZSA-N 2 2 395.547 3.833 20 0 GHADLP CN(c1ccccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000527752551 873558964 /nfs/dbraw/zinc/55/89/64/873558964.db2.gz OIIUGEKEOZDSIV-HSZRJFAPSA-N 3 2 384.612 3.714 20 0 GHADLP CN(c1ccccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000527752551 873558972 /nfs/dbraw/zinc/55/89/72/873558972.db2.gz OIIUGEKEOZDSIV-HSZRJFAPSA-N 3 2 384.612 3.714 20 0 GHADLP O=C(CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC001197263989 873682404 /nfs/dbraw/zinc/68/24/04/873682404.db2.gz IKLIGUMGUCFDJT-XZOQPEGZSA-N 2 2 388.515 3.798 20 0 GHADLP CCc1ccc2ccccc2c1C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001197359475 873735373 /nfs/dbraw/zinc/73/53/73/873735373.db2.gz ONQLCKPCRFIUBM-UHFFFAOYSA-N 2 2 379.548 3.708 20 0 GHADLP c1cn(CCCC2CC[NH+](CCCN3CCN(c4ccccc4)CC3)CC2)c[nH+]1 ZINC000509020240 873740797 /nfs/dbraw/zinc/74/07/97/873740797.db2.gz CZECBRCNVSOIHN-UHFFFAOYSA-N 2 2 395.595 3.588 20 0 GHADLP COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000541534823 873824231 /nfs/dbraw/zinc/82/42/31/873824231.db2.gz XSPCMBHIIUESJV-RXVVDRJESA-N 2 2 382.508 3.520 20 0 GHADLP COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000541534823 873824236 /nfs/dbraw/zinc/82/42/36/873824236.db2.gz XSPCMBHIIUESJV-RXVVDRJESA-N 2 2 382.508 3.520 20 0 GHADLP COCOc1ccc(OC)cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000769148782 873846967 /nfs/dbraw/zinc/84/69/67/873846967.db2.gz RXMTUGLONFTUIR-RTBURBONSA-N 2 2 376.541 3.764 20 0 GHADLP COCOc1ccc(OC)cc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000769148782 873846985 /nfs/dbraw/zinc/84/69/85/873846985.db2.gz RXMTUGLONFTUIR-RTBURBONSA-N 2 2 376.541 3.764 20 0 GHADLP COCOc1ccc(OC)cc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000769148782 873847001 /nfs/dbraw/zinc/84/70/01/873847001.db2.gz RXMTUGLONFTUIR-RTBURBONSA-N 2 2 376.541 3.764 20 0 GHADLP COCOc1ccc(OC)cc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000769148782 873847014 /nfs/dbraw/zinc/84/70/14/873847014.db2.gz RXMTUGLONFTUIR-RTBURBONSA-N 2 2 376.541 3.764 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NCc2cncc3ccccc32)cc1 ZINC001198042044 874195293 /nfs/dbraw/zinc/19/52/93/874195293.db2.gz OWEVIVBEVMNDGG-UHFFFAOYSA-N 2 2 390.531 3.548 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NCc2cncc3ccccc32)cc1 ZINC001198042044 874195297 /nfs/dbraw/zinc/19/52/97/874195297.db2.gz OWEVIVBEVMNDGG-UHFFFAOYSA-N 2 2 390.531 3.548 20 0 GHADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000769696857 874238346 /nfs/dbraw/zinc/23/83/46/874238346.db2.gz PNDLTFNVLBUDHL-CABCVRRESA-N 2 2 376.476 3.793 20 0 GHADLP CC[NH+](CC)[C@H](C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000449059383 874394825 /nfs/dbraw/zinc/39/48/25/874394825.db2.gz ABUVHAAHRINTJS-XMSQKQJNSA-N 2 2 388.577 3.866 20 0 GHADLP CC[NH+](CC)[C@@H](C[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000449059380 874395082 /nfs/dbraw/zinc/39/50/82/874395082.db2.gz ABUVHAAHRINTJS-AVRDEDQJSA-N 2 2 388.577 3.866 20 0 GHADLP CC[N@@H+](CC(=O)Nc1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464802772 874513725 /nfs/dbraw/zinc/51/37/25/874513725.db2.gz RWAKDYKPTHEJNZ-UHFFFAOYSA-N 2 2 386.927 3.912 20 0 GHADLP CC[N@H+](CC(=O)Nc1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464802772 874513736 /nfs/dbraw/zinc/51/37/36/874513736.db2.gz RWAKDYKPTHEJNZ-UHFFFAOYSA-N 2 2 386.927 3.912 20 0 GHADLP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cc(Cl)sc2Cl)c1 ZINC000449114068 874524714 /nfs/dbraw/zinc/52/47/14/874524714.db2.gz CAPNMLOSYNBDKI-UHFFFAOYSA-N 2 2 386.348 3.636 20 0 GHADLP CC[N@@H+](CC(=O)Nc1ccc2c(c1)CCC2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807986 874529195 /nfs/dbraw/zinc/52/91/95/874529195.db2.gz VBCCYLACSFRNTG-UHFFFAOYSA-N 2 2 392.547 3.747 20 0 GHADLP CC[N@H+](CC(=O)Nc1ccc2c(c1)CCC2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807986 874529205 /nfs/dbraw/zinc/52/92/05/874529205.db2.gz VBCCYLACSFRNTG-UHFFFAOYSA-N 2 2 392.547 3.747 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H]3CCN(C4CCCCC4)C3=O)C2)s1 ZINC000528496984 874631011 /nfs/dbraw/zinc/63/10/11/874631011.db2.gz LKFONVRVXSXFJJ-RXVVDRJESA-N 2 2 389.609 3.744 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H]3CCN(C4CCCCC4)C3=O)C2)s1 ZINC000528496984 874631017 /nfs/dbraw/zinc/63/10/17/874631017.db2.gz LKFONVRVXSXFJJ-RXVVDRJESA-N 2 2 389.609 3.744 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H]3CCN(C4CCCCC4)C3=O)C2)s1 ZINC000528496984 874631027 /nfs/dbraw/zinc/63/10/27/874631027.db2.gz LKFONVRVXSXFJJ-RXVVDRJESA-N 2 2 389.609 3.744 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H]3CCN(C4CCCCC4)C3=O)C2)s1 ZINC000528496984 874631033 /nfs/dbraw/zinc/63/10/33/874631033.db2.gz LKFONVRVXSXFJJ-RXVVDRJESA-N 2 2 389.609 3.744 20 0 GHADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464854282 874642917 /nfs/dbraw/zinc/64/29/17/874642917.db2.gz SGXHAGGWZLQSBS-OFNKIYASSA-N 2 2 383.580 3.836 20 0 GHADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464854282 874642922 /nfs/dbraw/zinc/64/29/22/874642922.db2.gz SGXHAGGWZLQSBS-OFNKIYASSA-N 2 2 383.580 3.836 20 0 GHADLP C[C@H](C(=O)NCCC1=CCCCC1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464854282 874642928 /nfs/dbraw/zinc/64/29/28/874642928.db2.gz SGXHAGGWZLQSBS-OFNKIYASSA-N 2 2 383.580 3.836 20 0 GHADLP C[C@H](C(=O)NCCC1=CCCCC1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464854282 874642937 /nfs/dbraw/zinc/64/29/37/874642937.db2.gz SGXHAGGWZLQSBS-OFNKIYASSA-N 2 2 383.580 3.836 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000449238177 874643457 /nfs/dbraw/zinc/64/34/57/874643457.db2.gz FKWMZOYNLRUZDH-HXUWFJFHSA-N 2 2 386.584 3.846 20 0 GHADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccncc2OCC(F)F)CC1 ZINC000449306701 874694393 /nfs/dbraw/zinc/69/43/93/874694393.db2.gz XGZUFDUBLDYZAN-QGZVFWFLSA-N 2 2 389.490 3.911 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000237499131 882881905 /nfs/dbraw/zinc/88/19/05/882881905.db2.gz PSNPPOROADWBGN-GJZGRUSLSA-N 2 2 382.346 3.630 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)s1 ZINC000449548413 875029322 /nfs/dbraw/zinc/02/93/22/875029322.db2.gz NEKCDZNEIPINJK-CQSZACIVSA-N 2 2 384.318 3.883 20 0 GHADLP O=C1c2cc(F)ccc2CN1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000771628096 875351870 /nfs/dbraw/zinc/35/18/70/875351870.db2.gz RSPBZDHARXKHCG-UHFFFAOYSA-N 2 2 393.506 3.727 20 0 GHADLP O=C1c2cc(F)ccc2CN1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000771628096 875351889 /nfs/dbraw/zinc/35/18/89/875351889.db2.gz RSPBZDHARXKHCG-UHFFFAOYSA-N 2 2 393.506 3.727 20 0 GHADLP C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000460490538 882935214 /nfs/dbraw/zinc/93/52/14/882935214.db2.gz MSTHOTADJSJGMU-FUMNGEBKSA-N 2 2 399.579 3.573 20 0 GHADLP C[NH+](C)Cc1cccc(Nc2cc(I)c3[nH+]ccn3c2)c1 ZINC001201391569 875670852 /nfs/dbraw/zinc/67/08/52/875670852.db2.gz DNUTYZTUHPGVNN-UHFFFAOYSA-N 2 2 392.244 3.744 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cc(Br)nn2C)c(C)c1 ZINC000785497385 876076187 /nfs/dbraw/zinc/07/61/87/876076187.db2.gz SQFALDWNPZCVSP-KRWDZBQOSA-N 2 2 388.313 3.527 20 0 GHADLP CC[C@H](CC(F)(F)F)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450225605 876114092 /nfs/dbraw/zinc/11/40/92/876114092.db2.gz HCDVCACPZDGAPI-NXHRZFHOSA-N 2 2 391.522 3.761 20 0 GHADLP CC[C@H](CC(F)(F)F)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450225605 876114099 /nfs/dbraw/zinc/11/40/99/876114099.db2.gz HCDVCACPZDGAPI-NXHRZFHOSA-N 2 2 391.522 3.761 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2cccc(OC3CCCC3)c2)([NH+]2CCCCC2)CC1 ZINC000303950576 876119656 /nfs/dbraw/zinc/11/96/56/876119656.db2.gz IDHJLIIOUXPBRT-UHFFFAOYSA-N 2 2 399.579 3.688 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000179432336 882999266 /nfs/dbraw/zinc/99/92/66/882999266.db2.gz RXXBPRKCBCIBCX-OAQYLSRUSA-N 2 2 376.504 3.849 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000179432336 882999282 /nfs/dbraw/zinc/99/92/82/882999282.db2.gz RXXBPRKCBCIBCX-OAQYLSRUSA-N 2 2 376.504 3.849 20 0 GHADLP CSc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000173359075 876338638 /nfs/dbraw/zinc/33/86/38/876338638.db2.gz MOCJWRGUJFKNAN-GOSISDBHSA-N 2 2 386.561 3.970 20 0 GHADLP CC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000123126520 883080949 /nfs/dbraw/zinc/08/09/49/883080949.db2.gz VSLHWEUGALTVTJ-BUUDZMLXSA-N 2 2 392.591 3.719 20 0 GHADLP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000123126520 883080965 /nfs/dbraw/zinc/08/09/65/883080965.db2.gz VSLHWEUGALTVTJ-BUUDZMLXSA-N 2 2 392.591 3.719 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000786837885 876956608 /nfs/dbraw/zinc/95/66/08/876956608.db2.gz MDHXFAXWBXNMCF-XMSQKQJNSA-N 2 2 378.520 3.531 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000786837885 876956619 /nfs/dbraw/zinc/95/66/19/876956619.db2.gz MDHXFAXWBXNMCF-XMSQKQJNSA-N 2 2 378.520 3.531 20 0 GHADLP CC[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390053 877002449 /nfs/dbraw/zinc/00/24/49/877002449.db2.gz MAJMSVUTYJIESQ-UHFFFAOYSA-N 2 2 388.462 3.537 20 0 GHADLP CC[N@H+](CC(=O)Nc1cc(F)cc(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390053 877002465 /nfs/dbraw/zinc/00/24/65/877002465.db2.gz MAJMSVUTYJIESQ-UHFFFAOYSA-N 2 2 388.462 3.537 20 0 GHADLP CC[N@@H+](CC(=O)N(C)Cc1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395130 877005639 /nfs/dbraw/zinc/00/56/39/877005639.db2.gz GIRUMEMNHLUPCM-UHFFFAOYSA-N 2 2 394.563 3.587 20 0 GHADLP CC[N@H+](CC(=O)N(C)Cc1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395130 877005651 /nfs/dbraw/zinc/00/56/51/877005651.db2.gz GIRUMEMNHLUPCM-UHFFFAOYSA-N 2 2 394.563 3.587 20 0 GHADLP Brc1ccc(C2CC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000850559233 877025255 /nfs/dbraw/zinc/02/52/55/877025255.db2.gz YGIOMZRBXFQORH-XUJQIHCRSA-N 2 2 379.342 3.538 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134907488 883101434 /nfs/dbraw/zinc/10/14/34/883101434.db2.gz LUCIAMUMMZSSMJ-XHYAQGIWSA-N 2 2 381.564 3.692 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134907488 883101442 /nfs/dbraw/zinc/10/14/42/883101442.db2.gz LUCIAMUMMZSSMJ-XHYAQGIWSA-N 2 2 381.564 3.692 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134907488 883101451 /nfs/dbraw/zinc/10/14/51/883101451.db2.gz LUCIAMUMMZSSMJ-XHYAQGIWSA-N 2 2 381.564 3.692 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134907488 883101457 /nfs/dbraw/zinc/10/14/57/883101457.db2.gz LUCIAMUMMZSSMJ-XHYAQGIWSA-N 2 2 381.564 3.692 20 0 GHADLP Cc1cc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000237613450 877687974 /nfs/dbraw/zinc/68/79/74/877687974.db2.gz SJEZJVDCKPMJMN-OYRHEFFESA-N 2 2 397.563 3.866 20 0 GHADLP Cc1cc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000237613450 877687978 /nfs/dbraw/zinc/68/79/78/877687978.db2.gz SJEZJVDCKPMJMN-OYRHEFFESA-N 2 2 397.563 3.866 20 0 GHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000245448740 877901765 /nfs/dbraw/zinc/90/17/65/877901765.db2.gz NCBDQHZIOXIZBX-REWPJTCUSA-N 2 2 399.579 3.557 20 0 GHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000245448740 877901774 /nfs/dbraw/zinc/90/17/74/877901774.db2.gz NCBDQHZIOXIZBX-REWPJTCUSA-N 2 2 399.579 3.557 20 0 GHADLP CCOC(=O)c1csc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000615728027 878048266 /nfs/dbraw/zinc/04/82/66/878048266.db2.gz WGFGGOIRQXEHMH-QGZVFWFLSA-N 2 2 387.549 3.505 20 0 GHADLP CCOC(=O)c1csc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000615728027 878048281 /nfs/dbraw/zinc/04/82/81/878048281.db2.gz WGFGGOIRQXEHMH-QGZVFWFLSA-N 2 2 387.549 3.505 20 0 GHADLP C[C@@H](CCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[N@H+](C)Cc1ccccc1 ZINC000746758343 878286065 /nfs/dbraw/zinc/28/60/65/878286065.db2.gz VUBQLWYYRIVGGZ-IBGZPJMESA-N 2 2 391.519 3.582 20 0 GHADLP C[C@@H](CCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000746758343 878286082 /nfs/dbraw/zinc/28/60/82/878286082.db2.gz VUBQLWYYRIVGGZ-IBGZPJMESA-N 2 2 391.519 3.582 20 0 GHADLP CC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(C)ccc1OC ZINC000537879864 878449089 /nfs/dbraw/zinc/44/90/89/878449089.db2.gz GTILGLMZLJSIPH-QFIPXVFZSA-N 2 2 395.547 3.632 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000530907927 878752284 /nfs/dbraw/zinc/75/22/84/878752284.db2.gz XMXYVTXRJHXBGM-MRXNPFEDSA-N 2 2 376.570 3.722 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000530907927 878752302 /nfs/dbraw/zinc/75/23/02/878752302.db2.gz XMXYVTXRJHXBGM-MRXNPFEDSA-N 2 2 376.570 3.722 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000530907926 878753022 /nfs/dbraw/zinc/75/30/22/878753022.db2.gz XMXYVTXRJHXBGM-INIZCTEOSA-N 2 2 376.570 3.722 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000530907926 878753036 /nfs/dbraw/zinc/75/30/36/878753036.db2.gz XMXYVTXRJHXBGM-INIZCTEOSA-N 2 2 376.570 3.722 20 0 GHADLP C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000776641353 878753329 /nfs/dbraw/zinc/75/33/29/878753329.db2.gz QATAZDNPCVJVTO-LFYBBSHMSA-N 2 2 376.460 3.669 20 0 GHADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2csc(Nc3ccc(C)cc3)n2)CC1 ZINC000451984511 878777658 /nfs/dbraw/zinc/77/76/58/878777658.db2.gz LFLRNSLWKREBPM-UHFFFAOYSA-N 2 2 387.597 3.701 20 0 GHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)CC(=O)N2CCCCCC2)cc1 ZINC000538118878 878839917 /nfs/dbraw/zinc/83/99/17/878839917.db2.gz MHWTWDFGZHYNTE-UHFFFAOYSA-N 2 2 398.551 3.577 20 0 GHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CC(=O)N2CCCCCC2)cc1 ZINC000538118878 878839937 /nfs/dbraw/zinc/83/99/37/878839937.db2.gz MHWTWDFGZHYNTE-UHFFFAOYSA-N 2 2 398.551 3.577 20 0 GHADLP CC/C(=C/C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000746860495 879277503 /nfs/dbraw/zinc/27/75/03/879277503.db2.gz ZVRSQOUJQUHLPD-ZZEZOPTASA-N 2 2 399.579 3.555 20 0 GHADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246426754 879552392 /nfs/dbraw/zinc/55/23/92/879552392.db2.gz CLBCALMNTQMZHJ-YUXAGFNASA-N 2 2 399.579 3.601 20 0 GHADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246426754 879552403 /nfs/dbraw/zinc/55/24/03/879552403.db2.gz CLBCALMNTQMZHJ-YUXAGFNASA-N 2 2 399.579 3.601 20 0 GHADLP CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246426754 879552415 /nfs/dbraw/zinc/55/24/15/879552415.db2.gz CLBCALMNTQMZHJ-YUXAGFNASA-N 2 2 399.579 3.601 20 0 GHADLP CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246426754 879552421 /nfs/dbraw/zinc/55/24/21/879552421.db2.gz CLBCALMNTQMZHJ-YUXAGFNASA-N 2 2 399.579 3.601 20 0 GHADLP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000246730675 879780539 /nfs/dbraw/zinc/78/05/39/879780539.db2.gz GGBFDTJNPXPJLW-GCJKJVERSA-N 2 2 375.520 3.576 20 0 GHADLP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000246730675 879780546 /nfs/dbraw/zinc/78/05/46/879780546.db2.gz GGBFDTJNPXPJLW-GCJKJVERSA-N 2 2 375.520 3.576 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccsc1 ZINC000246856043 879829131 /nfs/dbraw/zinc/82/91/31/879829131.db2.gz AROWKQCYXHBXEK-UHOSZYNNSA-N 2 2 389.569 3.620 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000246965155 879865038 /nfs/dbraw/zinc/86/50/38/879865038.db2.gz JBRJZYIPMOCSJB-OXJNMPFZSA-N 2 2 393.453 3.979 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000246965155 879865061 /nfs/dbraw/zinc/86/50/61/879865061.db2.gz JBRJZYIPMOCSJB-OXJNMPFZSA-N 2 2 393.453 3.979 20 0 GHADLP CCCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246970761 879868261 /nfs/dbraw/zinc/86/82/61/879868261.db2.gz JDNMDDTWMYUIPS-GCJKJVERSA-N 2 2 380.536 3.820 20 0 GHADLP CCCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246970761 879868274 /nfs/dbraw/zinc/86/82/74/879868274.db2.gz JDNMDDTWMYUIPS-GCJKJVERSA-N 2 2 380.536 3.820 20 0 GHADLP c1csc(-c2cc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)no2)c1 ZINC000182981942 880046334 /nfs/dbraw/zinc/04/63/34/880046334.db2.gz GIEFWPDDKCVRAD-UHFFFAOYSA-N 2 2 375.538 3.728 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc(-c2ccccc2)nn1C ZINC000453168318 880569322 /nfs/dbraw/zinc/56/93/22/880569322.db2.gz FCRVOCKPJNCKPC-PXNSSMCTSA-N 2 2 390.535 3.796 20 0 GHADLP C[C@@H]1CC[C@H]([N@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C2CC[NH+](C)CC2)C1 ZINC001170160939 880786769 /nfs/dbraw/zinc/78/67/69/880786769.db2.gz KTIIPFACQJAFHK-XLIONFOSSA-N 2 2 379.589 3.971 20 0 GHADLP C[C@@H]1CC[C@H]([N@@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C2CC[NH+](C)CC2)C1 ZINC001170160939 880786774 /nfs/dbraw/zinc/78/67/74/880786774.db2.gz KTIIPFACQJAFHK-XLIONFOSSA-N 2 2 379.589 3.971 20 0 GHADLP c1ccc(-n2c(C[NH+]3CCCC3)nnc2SCCC[NH+]2CCCCC2)cc1 ZINC000187654042 881262648 /nfs/dbraw/zinc/26/26/48/881262648.db2.gz NAQQEGGAFGHMTJ-UHFFFAOYSA-N 2 2 385.581 3.831 20 0 GHADLP CC[N@H+](CCC(=O)N(C)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000135111384 883213449 /nfs/dbraw/zinc/21/34/49/883213449.db2.gz DKVNIWHIQGXLEZ-UHFFFAOYSA-N 2 2 380.536 3.673 20 0 GHADLP CC[N@@H+](CCC(=O)N(C)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000135111384 883213466 /nfs/dbraw/zinc/21/34/66/883213466.db2.gz DKVNIWHIQGXLEZ-UHFFFAOYSA-N 2 2 380.536 3.673 20 0 GHADLP COc1ccc(-c2noc([C@H](C)[N@H+](C)Cc3ccc(C[NH+](C)C)cc3)n2)cc1 ZINC000859213801 883667510 /nfs/dbraw/zinc/66/75/10/883667510.db2.gz BDIRYAFZYQPNEH-INIZCTEOSA-N 2 2 380.492 4.000 20 0 GHADLP COc1ccc(-c2noc([C@H](C)[N@@H+](C)Cc3ccc(C[NH+](C)C)cc3)n2)cc1 ZINC000859213801 883667523 /nfs/dbraw/zinc/66/75/23/883667523.db2.gz BDIRYAFZYQPNEH-INIZCTEOSA-N 2 2 380.492 4.000 20 0 GHADLP Cc1nc2ccc(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)cc2s1 ZINC000428544816 883999563 /nfs/dbraw/zinc/99/95/63/883999563.db2.gz KINXAIPHZKSBKG-HXUWFJFHSA-N 2 2 381.545 3.985 20 0 GHADLP Cc1nc2ccc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)cc2s1 ZINC000428544816 883999582 /nfs/dbraw/zinc/99/95/82/883999582.db2.gz KINXAIPHZKSBKG-HXUWFJFHSA-N 2 2 381.545 3.985 20 0 GHADLP COc1cccc([C@H](O)C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000860138856 884358045 /nfs/dbraw/zinc/35/80/45/884358045.db2.gz NTERZCMLLVSPTA-HSZRJFAPSA-N 2 2 377.488 3.827 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cccc(-n2ccnn2)c1 ZINC000806143956 884403474 /nfs/dbraw/zinc/40/34/74/884403474.db2.gz XWAGAQQENIMALC-GOSISDBHSA-N 2 2 390.535 3.653 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc(F)c1F ZINC001143600692 884717714 /nfs/dbraw/zinc/71/77/14/884717714.db2.gz ZONOLKMUUBARAT-UHFFFAOYSA-N 2 2 376.447 3.733 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc(F)c1F ZINC001143600692 884717747 /nfs/dbraw/zinc/71/77/47/884717747.db2.gz ZONOLKMUUBARAT-UHFFFAOYSA-N 2 2 376.447 3.733 20 0 GHADLP Cc1cnn(CC[NH+]2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000550597915 885410456 /nfs/dbraw/zinc/41/04/56/885410456.db2.gz BDFWPFQPTDVCEL-UHFFFAOYSA-N 2 2 380.458 3.807 20 0 GHADLP Cc1cnn(CC[NH+]2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000550597915 885410465 /nfs/dbraw/zinc/41/04/65/885410465.db2.gz BDFWPFQPTDVCEL-UHFFFAOYSA-N 2 2 380.458 3.807 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000550622939 885551798 /nfs/dbraw/zinc/55/17/98/885551798.db2.gz QXDKNGLJOPPRKJ-ROUUACIJSA-N 2 2 379.426 3.948 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000550622939 885551804 /nfs/dbraw/zinc/55/18/04/885551804.db2.gz QXDKNGLJOPPRKJ-ROUUACIJSA-N 2 2 379.426 3.948 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000498775436 885708360 /nfs/dbraw/zinc/70/83/60/885708360.db2.gz CZICFPYEPAXFDR-UHFFFAOYSA-N 2 2 391.987 3.636 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000498775436 885708368 /nfs/dbraw/zinc/70/83/68/885708368.db2.gz CZICFPYEPAXFDR-UHFFFAOYSA-N 2 2 391.987 3.636 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498838353 885900783 /nfs/dbraw/zinc/90/07/83/885900783.db2.gz OTVRHGZAHKXMHB-GMAHTHKFSA-N 2 2 385.596 3.868 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498838353 885900785 /nfs/dbraw/zinc/90/07/85/885900785.db2.gz OTVRHGZAHKXMHB-GMAHTHKFSA-N 2 2 385.596 3.868 20 0 GHADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000670173380 885958433 /nfs/dbraw/zinc/95/84/33/885958433.db2.gz SXCWWKJPEQJVNO-DBVUQKKJSA-N 2 2 392.613 3.788 20 0 GHADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000670173380 885958449 /nfs/dbraw/zinc/95/84/49/885958449.db2.gz SXCWWKJPEQJVNO-DBVUQKKJSA-N 2 2 392.613 3.788 20 0 GHADLP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000498938476 886143100 /nfs/dbraw/zinc/14/31/00/886143100.db2.gz SIOBHYCSPZEFAQ-TZIWHRDSSA-N 2 2 386.584 3.515 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000119042433 886389517 /nfs/dbraw/zinc/38/95/17/886389517.db2.gz VKGMNDLDBOKHKS-LJQANCHMSA-N 2 2 387.572 3.570 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000119042433 886389535 /nfs/dbraw/zinc/38/95/35/886389535.db2.gz VKGMNDLDBOKHKS-LJQANCHMSA-N 2 2 387.572 3.570 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000123785140 886671209 /nfs/dbraw/zinc/67/12/09/886671209.db2.gz QEHNIMZSWAFSBY-ZDUSSCGKSA-N 2 2 381.307 3.620 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000123785140 886671224 /nfs/dbraw/zinc/67/12/24/886671224.db2.gz QEHNIMZSWAFSBY-ZDUSSCGKSA-N 2 2 381.307 3.620 20 0 GHADLP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2)cc1 ZINC000237497625 886958056 /nfs/dbraw/zinc/95/80/56/886958056.db2.gz ZMXWILIGYQUSIN-YADHBBJMSA-N 2 2 379.504 3.664 20 0 GHADLP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)c2)cc1 ZINC000237497625 886958062 /nfs/dbraw/zinc/95/80/62/886958062.db2.gz ZMXWILIGYQUSIN-YADHBBJMSA-N 2 2 379.504 3.664 20 0 GHADLP C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000666678783 887292662 /nfs/dbraw/zinc/29/26/62/887292662.db2.gz XIAWKDSFUYNOKX-LSDHHAIUSA-N 2 2 387.553 3.716 20 0 GHADLP C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000666678783 887292681 /nfs/dbraw/zinc/29/26/81/887292681.db2.gz XIAWKDSFUYNOKX-LSDHHAIUSA-N 2 2 387.553 3.716 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536594537 887398053 /nfs/dbraw/zinc/39/80/53/887398053.db2.gz RYZZGHRTWRXJDX-CSODHUTKSA-N 2 2 376.504 3.629 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536594537 887398072 /nfs/dbraw/zinc/39/80/72/887398072.db2.gz RYZZGHRTWRXJDX-CSODHUTKSA-N 2 2 376.504 3.629 20 0 GHADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC001184363899 913148963 /nfs/dbraw/zinc/14/89/63/913148963.db2.gz GYAQOQUJHKGZSF-UHFFFAOYSA-N 2 2 377.514 3.603 20 0 GHADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000459355998 887635140 /nfs/dbraw/zinc/63/51/40/887635140.db2.gz ZGXUFFBCMCIALO-UHFFFAOYSA-N 2 2 393.466 3.804 20 0 GHADLP Cn1c[nH+]cc1CC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000459355998 887635151 /nfs/dbraw/zinc/63/51/51/887635151.db2.gz ZGXUFFBCMCIALO-UHFFFAOYSA-N 2 2 393.466 3.804 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2cc(Br)ccc21 ZINC000794811156 888163250 /nfs/dbraw/zinc/16/32/50/888163250.db2.gz VLBGGWPAZFZWKR-RKVPGOIHSA-N 2 2 379.342 3.624 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c2cc(Br)ccc21 ZINC000794811156 888163255 /nfs/dbraw/zinc/16/32/55/888163255.db2.gz VLBGGWPAZFZWKR-RKVPGOIHSA-N 2 2 379.342 3.624 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000648910453 888292743 /nfs/dbraw/zinc/29/27/43/888292743.db2.gz BCWDKEBIIRZSMP-QGZVFWFLSA-N 2 2 389.503 3.993 20 0 GHADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(OC(F)F)cc2F)c2ccccc2)CC1 ZINC000865445064 888358190 /nfs/dbraw/zinc/35/81/90/888358190.db2.gz DHQLBVGAYIWIQQ-FQEVSTJZSA-N 2 2 393.453 3.505 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000444195216 888532504 /nfs/dbraw/zinc/53/25/04/888532504.db2.gz NOFWGHOERHBEBS-UYAOXDASSA-N 2 2 395.551 3.535 20 0 GHADLP Cc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000462537627 888582895 /nfs/dbraw/zinc/58/28/95/888582895.db2.gz PIUHOOLFZOWWHN-UHFFFAOYSA-N 2 2 392.469 3.711 20 0 GHADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)C1 ZINC000866705745 889014816 /nfs/dbraw/zinc/01/48/16/889014816.db2.gz IGYHBRLBJSYNKT-OAQYLSRUSA-N 2 2 386.565 3.521 20 0 GHADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)C1 ZINC000866705745 889014830 /nfs/dbraw/zinc/01/48/30/889014830.db2.gz IGYHBRLBJSYNKT-OAQYLSRUSA-N 2 2 386.565 3.521 20 0 GHADLP CSc1ccc([C@@H](CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)[NH+](C)C)cc1 ZINC000454665957 889487999 /nfs/dbraw/zinc/48/79/99/889487999.db2.gz DYWWMOOZGIYISF-GOSISDBHSA-N 2 2 383.521 3.789 20 0 GHADLP C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000124460375 889640027 /nfs/dbraw/zinc/64/00/27/889640027.db2.gz VFZOSXATFWEAGD-QFBILLFUSA-N 2 2 380.374 3.612 20 0 GHADLP C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000124460375 889640029 /nfs/dbraw/zinc/64/00/29/889640029.db2.gz VFZOSXATFWEAGD-QFBILLFUSA-N 2 2 380.374 3.612 20 0 GHADLP CC[NH+]1CCC([NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000124498872 889649616 /nfs/dbraw/zinc/64/96/16/889649616.db2.gz PSRCGEIROJQLBP-UHFFFAOYSA-N 2 2 376.136 3.786 20 0 GHADLP CN(C(=O)c1ccc(Cl)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124521038 889659084 /nfs/dbraw/zinc/65/90/84/889659084.db2.gz DQYUSICZGXZQHF-UXHICEINSA-N 2 2 377.960 3.749 20 0 GHADLP CN(C(=O)c1ccc(Cl)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124521038 889659090 /nfs/dbraw/zinc/65/90/90/889659090.db2.gz DQYUSICZGXZQHF-UXHICEINSA-N 2 2 377.960 3.749 20 0 GHADLP CCC[NH+]1CCC(CNC(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CC1 ZINC001123591695 889974312 /nfs/dbraw/zinc/97/43/12/889974312.db2.gz QPODQVLFYXDXFZ-IBGZPJMESA-N 2 2 389.588 3.649 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000125476799 890011601 /nfs/dbraw/zinc/01/16/01/890011601.db2.gz SWPSLKQEDVPWIN-QGZVFWFLSA-N 2 2 390.597 3.543 20 0 GHADLP O[C@H]1CCC[C@@]1(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(F)cc1 ZINC000428570226 890591578 /nfs/dbraw/zinc/59/15/78/890591578.db2.gz HIHGUDZTPYRTBN-SFTDATJTSA-N 2 2 385.508 3.936 20 0 GHADLP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812842964 891032774 /nfs/dbraw/zinc/03/27/74/891032774.db2.gz CBRYKCCMSWTXFN-NBGIEHNGSA-N 2 2 392.591 3.832 20 0 GHADLP CC[C@H](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533672525 891052782 /nfs/dbraw/zinc/05/27/82/891052782.db2.gz ONVBTVMFTDFTCX-JYAXBFRTSA-N 2 2 380.621 3.790 20 0 GHADLP CC[C@H](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533672525 891052794 /nfs/dbraw/zinc/05/27/94/891052794.db2.gz ONVBTVMFTDFTCX-JYAXBFRTSA-N 2 2 380.621 3.790 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000644863488 913518894 /nfs/dbraw/zinc/51/88/94/913518894.db2.gz WZTHCNAXJDNEOG-FGZHOGPDSA-N 2 2 388.515 3.665 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000644863488 913518912 /nfs/dbraw/zinc/51/89/12/913518912.db2.gz WZTHCNAXJDNEOG-FGZHOGPDSA-N 2 2 388.515 3.665 20 0 GHADLP CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533665661 891075908 /nfs/dbraw/zinc/07/59/08/891075908.db2.gz SGYDYEBOGXSRFB-ZDFPQIBNSA-N 2 2 392.632 3.934 20 0 GHADLP CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533665661 891075917 /nfs/dbraw/zinc/07/59/17/891075917.db2.gz SGYDYEBOGXSRFB-ZDFPQIBNSA-N 2 2 392.632 3.934 20 0 GHADLP Cc1cc(C)c(CNC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000455574229 891261318 /nfs/dbraw/zinc/26/13/18/891261318.db2.gz QPGQMJLQCHSAIZ-TZIWHRDSSA-N 2 2 380.536 3.798 20 0 GHADLP Cc1cc(C)c(CNC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000455574229 891261336 /nfs/dbraw/zinc/26/13/36/891261336.db2.gz QPGQMJLQCHSAIZ-TZIWHRDSSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000246479828 891272201 /nfs/dbraw/zinc/27/22/01/891272201.db2.gz REZHEFYTWMYXED-OXJNMPFZSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000246479828 891272216 /nfs/dbraw/zinc/27/22/16/891272216.db2.gz REZHEFYTWMYXED-OXJNMPFZSA-N 2 2 375.463 3.726 20 0 GHADLP COc1ccc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1OC ZINC000247029201 891335084 /nfs/dbraw/zinc/33/50/84/891335084.db2.gz MCMLUYPJKIXRSQ-GHTZIAJQSA-N 2 2 383.536 3.532 20 0 GHADLP COc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1OC ZINC000247029201 891335099 /nfs/dbraw/zinc/33/50/99/891335099.db2.gz MCMLUYPJKIXRSQ-GHTZIAJQSA-N 2 2 383.536 3.532 20 0 GHADLP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248064134 891407722 /nfs/dbraw/zinc/40/77/22/891407722.db2.gz ZECDGYCYACRIQS-NQIIRXRSSA-N 2 2 377.536 3.630 20 0 GHADLP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248064134 891407728 /nfs/dbraw/zinc/40/77/28/891407728.db2.gz ZECDGYCYACRIQS-NQIIRXRSSA-N 2 2 377.536 3.630 20 0 GHADLP C[C@@H](NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1cn2c([nH+]1)CCCC2 ZINC000813325702 891488032 /nfs/dbraw/zinc/48/80/32/891488032.db2.gz JGHNOYBZCZMPFW-RTBURBONSA-N 2 2 382.552 3.770 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000813328747 891511404 /nfs/dbraw/zinc/51/14/04/891511404.db2.gz NHXONOWWCMQLTH-REHUZNOOSA-N 2 2 378.564 3.860 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000813328747 891511409 /nfs/dbraw/zinc/51/14/09/891511409.db2.gz NHXONOWWCMQLTH-REHUZNOOSA-N 2 2 378.564 3.860 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000813881407 892064437 /nfs/dbraw/zinc/06/44/37/892064437.db2.gz WLRWWHXONSEHPN-IEZWGBDMSA-N 2 2 388.487 3.870 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000428681369 893185126 /nfs/dbraw/zinc/18/51/26/893185126.db2.gz NKQNVSCQJJURQB-NRFANRHFSA-N 2 2 397.567 3.704 20 0 GHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c2ccccc21 ZINC000562957080 893214450 /nfs/dbraw/zinc/21/44/50/893214450.db2.gz SOGBFJABMAAOOC-ZACQAIPSSA-N 2 2 376.287 3.833 20 0 GHADLP O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000536654314 893428817 /nfs/dbraw/zinc/42/88/17/893428817.db2.gz WQWVCXDRAPEULD-UHFFFAOYSA-N 2 2 389.503 3.573 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444788845 893509168 /nfs/dbraw/zinc/50/91/68/893509168.db2.gz BAUNLKXXIBVANB-KBPBESRZSA-N 2 2 380.414 3.646 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444788845 893509174 /nfs/dbraw/zinc/50/91/74/893509174.db2.gz BAUNLKXXIBVANB-KBPBESRZSA-N 2 2 380.414 3.646 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCc3cccc(C(F)(F)F)n3)CC2)cc1 ZINC000815141316 893514435 /nfs/dbraw/zinc/51/44/35/893514435.db2.gz AMMFAWBHKWLLPD-UHFFFAOYSA-N 2 2 392.469 3.968 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536908796 894087362 /nfs/dbraw/zinc/08/73/62/894087362.db2.gz HNOHKWHWCJMKGK-AUSIDOKSSA-N 2 2 388.515 3.757 20 0 GHADLP C[NH+]1CCC2(CC1)CC[NH+](Cc1nc(=O)c3c(-c4ccco4)csc3[nH]1)CC2 ZINC000879249718 894931673 /nfs/dbraw/zinc/93/16/73/894931673.db2.gz ZIMVQERZDPNXIL-UHFFFAOYSA-N 2 2 398.532 3.965 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(OC(F)F)c1 ZINC000537455942 895026290 /nfs/dbraw/zinc/02/62/90/895026290.db2.gz MNIOUCQQXURLJC-YOEHRIQHSA-N 2 2 376.451 3.996 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cnn(Cc2ccccc2)c1 ZINC000537458075 895059317 /nfs/dbraw/zinc/05/93/17/895059317.db2.gz URBKZTFTNSRGDH-AVRDEDQJSA-N 2 2 390.535 3.640 20 0 GHADLP C[C@@]1(C(F)(F)F)CC[N@H+](CC2(C[NH+]3CC[C@](C)(C(F)(F)F)C3)COC2)C1 ZINC000880002704 895438867 /nfs/dbraw/zinc/43/88/67/895438867.db2.gz OUDRSQUXOCVBDL-OKILXGFUSA-N 2 2 388.396 3.552 20 0 GHADLP C[C@@]1(C(F)(F)F)CC[N@@H+](CC2(C[NH+]3CC[C@](C)(C(F)(F)F)C3)COC2)C1 ZINC000880002704 895438877 /nfs/dbraw/zinc/43/88/77/895438877.db2.gz OUDRSQUXOCVBDL-OKILXGFUSA-N 2 2 388.396 3.552 20 0 GHADLP C[C@@]1(C(F)(F)F)CC[NH+](CC2(C[N@@H+]3CC[C@](C)(C(F)(F)F)C3)COC2)C1 ZINC000880002704 895438886 /nfs/dbraw/zinc/43/88/86/895438886.db2.gz OUDRSQUXOCVBDL-OKILXGFUSA-N 2 2 388.396 3.552 20 0 GHADLP C[C@@]1(C(F)(F)F)CC[NH+](CC2(C[N@H+]3CC[C@](C)(C(F)(F)F)C3)COC2)C1 ZINC000880002704 895438894 /nfs/dbraw/zinc/43/88/94/895438894.db2.gz OUDRSQUXOCVBDL-OKILXGFUSA-N 2 2 388.396 3.552 20 0 GHADLP Clc1ccc(C2=CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cn1 ZINC000817274416 895462108 /nfs/dbraw/zinc/46/21/08/895462108.db2.gz DAKIBIUSLZQGDO-UHFFFAOYSA-N 2 2 383.923 3.857 20 0 GHADLP Clc1ccc(C2=CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cn1 ZINC000817274416 895462112 /nfs/dbraw/zinc/46/21/12/895462112.db2.gz DAKIBIUSLZQGDO-UHFFFAOYSA-N 2 2 383.923 3.857 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3nc(-c4ccccc4)c[nH]3)[nH+]c2)CC1 ZINC000565755647 895854422 /nfs/dbraw/zinc/85/44/22/895854422.db2.gz PLDZIDJISFYJPA-UHFFFAOYSA-N 2 2 376.508 3.614 20 0 GHADLP CCC(F)(F)c1ccccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000880775422 895862960 /nfs/dbraw/zinc/86/29/60/895862960.db2.gz QCFHBGWHCQIGIP-UHFFFAOYSA-N 2 2 394.510 3.869 20 0 GHADLP Cn1c[nH+]cc1CC(=O)Nc1cccc(C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000565770955 895866649 /nfs/dbraw/zinc/86/66/49/895866649.db2.gz OWSTUFXAKPPJFH-UHFFFAOYSA-N 2 2 388.515 3.981 20 0 GHADLP c1[nH+]cn(Cc2ccccc2)c1Cn1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000881291197 896280662 /nfs/dbraw/zinc/28/06/62/896280662.db2.gz JEOQCVJLQDCWJL-XMMPIXPASA-N 2 2 398.514 3.738 20 0 GHADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1Nc1ccccc1 ZINC001136196650 896455693 /nfs/dbraw/zinc/45/56/93/896455693.db2.gz IXCYWVIBZJWSBC-OAQYLSRUSA-N 2 2 386.499 3.642 20 0 GHADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1Nc1ccccc1 ZINC001136196650 896455698 /nfs/dbraw/zinc/45/56/98/896455698.db2.gz IXCYWVIBZJWSBC-OAQYLSRUSA-N 2 2 386.499 3.642 20 0 GHADLP Cn1c2ccc(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2sc1=O ZINC000566681501 896486225 /nfs/dbraw/zinc/48/62/25/896486225.db2.gz GRRRMRMYOWLHQY-QHCPKHFHSA-N 2 2 393.556 3.698 20 0 GHADLP Cn1c2ccc(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2sc1=O ZINC000566681501 896486232 /nfs/dbraw/zinc/48/62/32/896486232.db2.gz GRRRMRMYOWLHQY-QHCPKHFHSA-N 2 2 393.556 3.698 20 0 GHADLP Cn1c2ccc(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2sc1=O ZINC000566681501 896486235 /nfs/dbraw/zinc/48/62/35/896486235.db2.gz GRRRMRMYOWLHQY-QHCPKHFHSA-N 2 2 393.556 3.698 20 0 GHADLP Cn1c2ccc(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)cc2sc1=O ZINC000566681501 896486239 /nfs/dbraw/zinc/48/62/39/896486239.db2.gz GRRRMRMYOWLHQY-QHCPKHFHSA-N 2 2 393.556 3.698 20 0 GHADLP Clc1cccc(N2CC[NH+](CCC[NH2+]C3CCC4(CCCO4)CC3)CC2)c1 ZINC000566956675 896741291 /nfs/dbraw/zinc/74/12/91/896741291.db2.gz CIBDOCJBNMADPB-UHFFFAOYSA-N 2 2 391.987 3.934 20 0 GHADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000566986143 896769964 /nfs/dbraw/zinc/76/99/64/896769964.db2.gz PFSAUVGQSMSDTH-KRWDZBQOSA-N 2 2 396.560 3.968 20 0 GHADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000566986143 896769974 /nfs/dbraw/zinc/76/99/74/896769974.db2.gz PFSAUVGQSMSDTH-KRWDZBQOSA-N 2 2 396.560 3.968 20 0 GHADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000566986143 896769983 /nfs/dbraw/zinc/76/99/83/896769983.db2.gz PFSAUVGQSMSDTH-KRWDZBQOSA-N 2 2 396.560 3.968 20 0 GHADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000566986143 896769988 /nfs/dbraw/zinc/76/99/88/896769988.db2.gz PFSAUVGQSMSDTH-KRWDZBQOSA-N 2 2 396.560 3.968 20 0 GHADLP COc1ccccc1O[C@@H](C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000129612754 896775192 /nfs/dbraw/zinc/77/51/92/896775192.db2.gz AYGQVEFYNQAKRK-SFHVURJKSA-N 2 2 383.536 3.787 20 0 GHADLP CCCC[N@@H+]1Cc2ccc(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)cc2C1 ZINC000567006296 896787696 /nfs/dbraw/zinc/78/76/96/896787696.db2.gz LNVPYVMCUFYALI-UHFFFAOYSA-N 2 2 387.549 3.665 20 0 GHADLP CCCC[N@H+]1Cc2ccc(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)cc2C1 ZINC000567006296 896787716 /nfs/dbraw/zinc/78/77/16/896787716.db2.gz LNVPYVMCUFYALI-UHFFFAOYSA-N 2 2 387.549 3.665 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c(C)c1 ZINC000826284342 896919492 /nfs/dbraw/zinc/91/94/92/896919492.db2.gz QRTRGSWBUVZRCM-LAUBAEHRSA-N 2 2 387.491 3.772 20 0 GHADLP CCCCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1OC ZINC000568253474 897699064 /nfs/dbraw/zinc/69/90/64/897699064.db2.gz PYQYIPYQJPDVLQ-HXUWFJFHSA-N 2 2 376.541 3.561 20 0 GHADLP CCCCOc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1OC ZINC000568253474 897699069 /nfs/dbraw/zinc/69/90/69/897699069.db2.gz PYQYIPYQJPDVLQ-HXUWFJFHSA-N 2 2 376.541 3.561 20 0 GHADLP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc(Br)c1OC ZINC000568330083 897746216 /nfs/dbraw/zinc/74/62/16/897746216.db2.gz TVHTZAQCXNBBRI-XJKSGUPXSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc(Br)c1OC ZINC000568330083 897746222 /nfs/dbraw/zinc/74/62/22/897746222.db2.gz TVHTZAQCXNBBRI-XJKSGUPXSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc(Br)c1OC ZINC000568330083 897746232 /nfs/dbraw/zinc/74/62/32/897746232.db2.gz TVHTZAQCXNBBRI-XJKSGUPXSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc(Br)c1OC ZINC000568330083 897746238 /nfs/dbraw/zinc/74/62/38/897746238.db2.gz TVHTZAQCXNBBRI-XJKSGUPXSA-N 2 2 385.346 3.628 20 0 GHADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001136464984 897971979 /nfs/dbraw/zinc/97/19/79/897971979.db2.gz BGOOUHCWEGQPGT-YADHBBJMSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001136464984 897971991 /nfs/dbraw/zinc/97/19/91/897971991.db2.gz BGOOUHCWEGQPGT-YADHBBJMSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001136464984 897972008 /nfs/dbraw/zinc/97/20/08/897972008.db2.gz BGOOUHCWEGQPGT-YADHBBJMSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001136464984 897972017 /nfs/dbraw/zinc/97/20/17/897972017.db2.gz BGOOUHCWEGQPGT-YADHBBJMSA-N 2 2 389.559 3.951 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000568751029 898080742 /nfs/dbraw/zinc/08/07/42/898080742.db2.gz UTMFSKHSHKTMEO-MRXNPFEDSA-N 2 2 386.927 3.879 20 0 GHADLP C[C@@H](CC(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1)n1cc[nH+]c1 ZINC000568986910 898260446 /nfs/dbraw/zinc/26/04/46/898260446.db2.gz HLUOLVSFHDRLEK-YWZLYKJASA-N 2 2 390.478 3.844 20 0 GHADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000569358792 898571553 /nfs/dbraw/zinc/57/15/53/898571553.db2.gz LYTCDZZCJPZACQ-PCCBWWKXSA-N 2 2 387.474 3.613 20 0 GHADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000569358792 898571565 /nfs/dbraw/zinc/57/15/65/898571565.db2.gz LYTCDZZCJPZACQ-PCCBWWKXSA-N 2 2 387.474 3.613 20 0 GHADLP COCCOc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569456120 898682173 /nfs/dbraw/zinc/68/21/73/898682173.db2.gz VKJWSWKKWWLMGJ-QFIPXVFZSA-N 2 2 380.532 3.999 20 0 GHADLP COCCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569456120 898682179 /nfs/dbraw/zinc/68/21/79/898682179.db2.gz VKJWSWKKWWLMGJ-QFIPXVFZSA-N 2 2 380.532 3.999 20 0 GHADLP CC[N@H+](C)[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001136677471 898848065 /nfs/dbraw/zinc/84/80/65/898848065.db2.gz SZEUNEXUTXGZJM-JOCHJYFZSA-N 2 2 379.548 3.802 20 0 GHADLP CC[N@@H+](C)[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001136677471 898848069 /nfs/dbraw/zinc/84/80/69/898848069.db2.gz SZEUNEXUTXGZJM-JOCHJYFZSA-N 2 2 379.548 3.802 20 0 GHADLP CC[NH+](C)[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001136677471 898848084 /nfs/dbraw/zinc/84/80/84/898848084.db2.gz SZEUNEXUTXGZJM-JOCHJYFZSA-N 2 2 379.548 3.802 20 0 GHADLP CC[NH+](C)[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001136677471 898848097 /nfs/dbraw/zinc/84/80/97/898848097.db2.gz SZEUNEXUTXGZJM-JOCHJYFZSA-N 2 2 379.548 3.802 20 0 GHADLP CC(C)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824215559 899460104 /nfs/dbraw/zinc/46/01/04/899460104.db2.gz LKIZKSUDWZPIIV-FPOVZHCZSA-N 2 2 382.556 3.636 20 0 GHADLP CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC001171052159 899520989 /nfs/dbraw/zinc/52/09/89/899520989.db2.gz VASKETPHJZDLOW-OAQYLSRUSA-N 2 2 380.536 3.677 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H]3CCc4c(Cl)cccc4C3)CC2)C1 ZINC001171057140 899616807 /nfs/dbraw/zinc/61/68/07/899616807.db2.gz UZKNSLAONQIXJH-MJGOQNOKSA-N 2 2 390.955 3.547 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H]3CCc4c(Cl)cccc4C3)CC2)C1 ZINC001171057140 899616813 /nfs/dbraw/zinc/61/68/13/899616813.db2.gz UZKNSLAONQIXJH-MJGOQNOKSA-N 2 2 390.955 3.547 20 0 GHADLP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333012655 899891299 /nfs/dbraw/zinc/89/12/99/899891299.db2.gz GDXSGBAKPIMJGI-IIMDRIAPSA-N 2 2 386.584 3.728 20 0 GHADLP CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000825242301 900048020 /nfs/dbraw/zinc/04/80/20/900048020.db2.gz NOUXFRWHLXMXHS-JOCHJYFZSA-N 2 2 390.535 3.962 20 0 GHADLP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001137020909 900097182 /nfs/dbraw/zinc/09/71/82/900097182.db2.gz FYFPXUKVAUMDML-HSZRJFAPSA-N 2 2 388.515 3.710 20 0 GHADLP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282943222 900608241 /nfs/dbraw/zinc/60/82/41/900608241.db2.gz ZZVLLCHEZYIMCB-NRFANRHFSA-N 2 2 392.547 3.835 20 0 GHADLP Brc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)sc1Br ZINC000886070011 900703420 /nfs/dbraw/zinc/70/34/20/900703420.db2.gz NQQNTXSHKMYZBQ-MRVPVSSYSA-N 2 2 391.132 3.574 20 0 GHADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000290020415 914483426 /nfs/dbraw/zinc/48/34/26/914483426.db2.gz RAAZFIYGMKHQST-DHIUTWEWSA-N 2 2 388.515 3.603 20 0 GHADLP Cc1[nH]c(C2CC[NH+](C[C@@H](O)c3ccccc3Br)CC2)[nH+]c1C ZINC000886664251 901214424 /nfs/dbraw/zinc/21/44/24/901214424.db2.gz GYJZULWESNJNLO-QGZVFWFLSA-N 2 2 378.314 3.702 20 0 GHADLP CCc1nc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cs1 ZINC000575851673 901385416 /nfs/dbraw/zinc/38/54/16/901385416.db2.gz JGESPIBTALCOSY-IBGZPJMESA-N 2 2 385.577 3.724 20 0 GHADLP CCc1nc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cs1 ZINC000575851673 901385425 /nfs/dbraw/zinc/38/54/25/901385425.db2.gz JGESPIBTALCOSY-IBGZPJMESA-N 2 2 385.577 3.724 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[N@@H+]1C ZINC000093644316 901559407 /nfs/dbraw/zinc/55/94/07/901559407.db2.gz YNIRIOBCAAIZAN-AVRDEDQJSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[N@H+]1C ZINC000093644316 901559415 /nfs/dbraw/zinc/55/94/15/901559415.db2.gz YNIRIOBCAAIZAN-AVRDEDQJSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[NH+]1C ZINC000093644316 901559428 /nfs/dbraw/zinc/55/94/28/901559428.db2.gz YNIRIOBCAAIZAN-AVRDEDQJSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[NH+]1C ZINC000093644316 901559442 /nfs/dbraw/zinc/55/94/42/901559442.db2.gz YNIRIOBCAAIZAN-AVRDEDQJSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000333436828 902088715 /nfs/dbraw/zinc/08/87/15/902088715.db2.gz VMYUMQICXOMLEO-UWJYYQICSA-N 2 2 393.535 3.977 20 0 GHADLP CN(C(=O)c1cccc2ncccc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124619483 902092907 /nfs/dbraw/zinc/09/29/07/902092907.db2.gz JWOGSARHRVCUEY-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cccc2ncccc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124619483 902092919 /nfs/dbraw/zinc/09/29/19/902092919.db2.gz JWOGSARHRVCUEY-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000576841644 902295338 /nfs/dbraw/zinc/29/53/38/902295338.db2.gz XJFSNPHFRDBPNN-RXRQOCSWSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000576841644 902295348 /nfs/dbraw/zinc/29/53/48/902295348.db2.gz XJFSNPHFRDBPNN-RXRQOCSWSA-N 2 2 392.632 3.790 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c(F)cc(O)cc1F)CC2 ZINC001144550733 902363263 /nfs/dbraw/zinc/36/32/63/902363263.db2.gz WVBDWRCSOHNWRT-HNNXBMFYSA-N 2 2 392.446 3.519 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c(F)cc(O)cc1F)CC2 ZINC001144550733 902363274 /nfs/dbraw/zinc/36/32/74/902363274.db2.gz WVBDWRCSOHNWRT-HNNXBMFYSA-N 2 2 392.446 3.519 20 0 GHADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600724349 902846134 /nfs/dbraw/zinc/84/61/34/902846134.db2.gz GVJOHQPQBDJBSU-DOMZBBRYSA-N 2 2 384.398 3.569 20 0 GHADLP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600724349 902846144 /nfs/dbraw/zinc/84/61/44/902846144.db2.gz GVJOHQPQBDJBSU-DOMZBBRYSA-N 2 2 384.398 3.569 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)ccn12 ZINC000577625828 902968788 /nfs/dbraw/zinc/96/87/88/902968788.db2.gz TWYGKJZPZZSHCW-HXUWFJFHSA-N 2 2 376.504 3.673 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)ccn12 ZINC000577625828 902968798 /nfs/dbraw/zinc/96/87/98/902968798.db2.gz TWYGKJZPZZSHCW-HXUWFJFHSA-N 2 2 376.504 3.673 20 0 GHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000577782839 903184670 /nfs/dbraw/zinc/18/46/70/903184670.db2.gz OXTJMBYSSMXULG-HNAYVOBHSA-N 2 2 380.458 3.722 20 0 GHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000577782839 903184675 /nfs/dbraw/zinc/18/46/75/903184675.db2.gz OXTJMBYSSMXULG-HNAYVOBHSA-N 2 2 380.458 3.722 20 0 GHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000577782839 903184679 /nfs/dbraw/zinc/18/46/79/903184679.db2.gz OXTJMBYSSMXULG-HNAYVOBHSA-N 2 2 380.458 3.722 20 0 GHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000577782839 903184683 /nfs/dbraw/zinc/18/46/83/903184683.db2.gz OXTJMBYSSMXULG-HNAYVOBHSA-N 2 2 380.458 3.722 20 0 GHADLP C[C@@H]1CC[C@](C)(/C=C/C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC001145063118 903424798 /nfs/dbraw/zinc/42/47/98/903424798.db2.gz DZYDVHKIWZEUCY-VNHVTXNZSA-N 2 2 375.601 3.632 20 0 GHADLP C[C@@H]1CC[C@](C)(/C=C/C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC001145063118 903424802 /nfs/dbraw/zinc/42/48/02/903424802.db2.gz DZYDVHKIWZEUCY-VNHVTXNZSA-N 2 2 375.601 3.632 20 0 GHADLP CC(C)(C)OC(=O)N1CCN(c2cc(Nc3ccn4cc[nH+]c4c3)cc[nH+]2)CC1 ZINC001212835773 903450590 /nfs/dbraw/zinc/45/05/90/903450590.db2.gz ACANEOAVOLBIMD-UHFFFAOYSA-N 2 2 394.479 3.530 20 0 GHADLP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cc2)c1 ZINC000578285745 903692915 /nfs/dbraw/zinc/69/29/15/903692915.db2.gz SYFBNCCAKVDUDI-INIZCTEOSA-N 2 2 379.460 3.866 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccc(NC(N)=[NH2+])cc2)c1 ZINC001148650811 904136293 /nfs/dbraw/zinc/13/62/93/904136293.db2.gz VPBRNIXCEWLGJN-UHFFFAOYSA-N 2 2 376.464 3.612 20 0 GHADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(OC)c1OC ZINC000282816889 904326006 /nfs/dbraw/zinc/32/60/06/904326006.db2.gz TVXMSUHOCKZLGI-QGZVFWFLSA-N 2 2 385.508 3.625 20 0 GHADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(OC)c1OC ZINC000282816889 904326015 /nfs/dbraw/zinc/32/60/15/904326015.db2.gz TVXMSUHOCKZLGI-QGZVFWFLSA-N 2 2 385.508 3.625 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001171482806 904725150 /nfs/dbraw/zinc/72/51/50/904725150.db2.gz PMQHABOMBAMNEW-KRWDZBQOSA-N 2 2 388.506 3.719 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001171482806 904725157 /nfs/dbraw/zinc/72/51/57/904725157.db2.gz PMQHABOMBAMNEW-KRWDZBQOSA-N 2 2 388.506 3.719 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(CN(C)CC[NH+](C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC001171637012 904925351 /nfs/dbraw/zinc/92/53/51/904925351.db2.gz SLXQZBIGRXJSNY-SZPZYZBQSA-N 2 2 395.591 3.860 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(CN(C)CC[NH+](C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC001171637012 904925362 /nfs/dbraw/zinc/92/53/62/904925362.db2.gz SLXQZBIGRXJSNY-SZPZYZBQSA-N 2 2 395.591 3.860 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(CN(C)CC[N@H+](C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC001171637012 904925380 /nfs/dbraw/zinc/92/53/80/904925380.db2.gz SLXQZBIGRXJSNY-SZPZYZBQSA-N 2 2 395.591 3.860 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(CN(C)CC[N@@H+](C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC001171637012 904925391 /nfs/dbraw/zinc/92/53/91/904925391.db2.gz SLXQZBIGRXJSNY-SZPZYZBQSA-N 2 2 395.591 3.860 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)CCN(C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC001171637012 904925403 /nfs/dbraw/zinc/92/54/03/904925403.db2.gz SLXQZBIGRXJSNY-SZPZYZBQSA-N 2 2 395.591 3.860 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)CCN(C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC001171637012 904925409 /nfs/dbraw/zinc/92/54/09/904925409.db2.gz SLXQZBIGRXJSNY-SZPZYZBQSA-N 2 2 395.591 3.860 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)CCN(C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC001171637012 904925416 /nfs/dbraw/zinc/92/54/16/904925416.db2.gz SLXQZBIGRXJSNY-SZPZYZBQSA-N 2 2 395.591 3.860 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)CCN(C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC001171637012 904925431 /nfs/dbraw/zinc/92/54/31/904925431.db2.gz SLXQZBIGRXJSNY-SZPZYZBQSA-N 2 2 395.591 3.860 20 0 GHADLP CC[N@H+](C[C@@H](O)c1c(F)cccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108701 905042790 /nfs/dbraw/zinc/04/27/90/905042790.db2.gz XBLMCVPEQZECSL-LJQANCHMSA-N 2 2 375.463 3.632 20 0 GHADLP CC[N@@H+](C[C@@H](O)c1c(F)cccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108701 905042814 /nfs/dbraw/zinc/04/28/14/905042814.db2.gz XBLMCVPEQZECSL-LJQANCHMSA-N 2 2 375.463 3.632 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001171963961 905170917 /nfs/dbraw/zinc/17/09/17/905170917.db2.gz HYWGYPITQBLMFF-HNNXBMFYSA-N 2 2 379.426 3.862 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977340 905222545 /nfs/dbraw/zinc/22/25/45/905222545.db2.gz AZYCSFDTEFLPJC-DEOSSOPVSA-N 3 2 399.623 3.910 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977340 905222552 /nfs/dbraw/zinc/22/25/52/905222552.db2.gz AZYCSFDTEFLPJC-DEOSSOPVSA-N 3 2 399.623 3.910 20 0 GHADLP CC(C)Oc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)ncn1 ZINC001172071216 905272832 /nfs/dbraw/zinc/27/28/32/905272832.db2.gz WANIMOIFKNPHIT-MMVMTREESA-N 2 2 380.536 3.939 20 0 GHADLP CC(C)Oc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)ncn1 ZINC001172071216 905272853 /nfs/dbraw/zinc/27/28/53/905272853.db2.gz WANIMOIFKNPHIT-MMVMTREESA-N 2 2 380.536 3.939 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+]([C@@H]4CC[C@H](C)[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001172373405 905485986 /nfs/dbraw/zinc/48/59/86/905485986.db2.gz LSENKTVUNDPANG-JZVCSLHYSA-N 2 2 377.598 3.799 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@@H]4CC[C@H](C)[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001172373405 905485989 /nfs/dbraw/zinc/48/59/89/905485989.db2.gz LSENKTVUNDPANG-JZVCSLHYSA-N 2 2 377.598 3.799 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@@H]4CC[C@H](C)[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001172373405 905485990 /nfs/dbraw/zinc/48/59/90/905485990.db2.gz LSENKTVUNDPANG-JZVCSLHYSA-N 2 2 377.598 3.799 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+]([C@@H]4CC[C@H](C)[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001172373405 905485992 /nfs/dbraw/zinc/48/59/92/905485992.db2.gz LSENKTVUNDPANG-JZVCSLHYSA-N 2 2 377.598 3.799 20 0 GHADLP [NH3+]C1(C(=O)NCc2ccccc2)CC[NH+]([C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172536776 905641673 /nfs/dbraw/zinc/64/16/73/905641673.db2.gz LDCGGFATPJUACZ-DHIUTWEWSA-N 2 2 391.559 3.823 20 0 GHADLP c1ccc([C@@H]2CCC[C@@H]([NH+]3CCN(c4cc[nH+]c(N5CCCC5)n4)CC3)C2)cc1 ZINC001172548818 905652792 /nfs/dbraw/zinc/65/27/92/905652792.db2.gz JNBNERXLAWUGIO-FGZHOGPDSA-N 2 2 391.563 3.925 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172581987 905682516 /nfs/dbraw/zinc/68/25/16/905682516.db2.gz XDNCKFSQICBBFO-GGPKGHCWSA-N 2 2 391.531 3.998 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCC[C@@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172581987 905682526 /nfs/dbraw/zinc/68/25/26/905682526.db2.gz XDNCKFSQICBBFO-GGPKGHCWSA-N 2 2 391.531 3.998 20 0 GHADLP CCCn1ccc2cc(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)ccc21 ZINC000176143246 905768059 /nfs/dbraw/zinc/76/80/59/905768059.db2.gz LLUARZPKKRRBGF-UHFFFAOYSA-N 2 2 385.556 3.541 20 0 GHADLP CCCn1ccc2cc(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)ccc21 ZINC000176143246 905768070 /nfs/dbraw/zinc/76/80/70/905768070.db2.gz LLUARZPKKRRBGF-UHFFFAOYSA-N 2 2 385.556 3.541 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)Cc1c(F)cccc1Cl)C2 ZINC001172851175 905906379 /nfs/dbraw/zinc/90/63/79/905906379.db2.gz OLFQYYUOVKOKRW-HNNXBMFYSA-N 2 2 378.923 3.963 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)Cc1c(F)cccc1Cl)C2 ZINC001172851175 905906381 /nfs/dbraw/zinc/90/63/81/905906381.db2.gz OLFQYYUOVKOKRW-HNNXBMFYSA-N 2 2 378.923 3.963 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H](C)Cc1c(F)cccc1Cl)C2 ZINC001172851175 905906392 /nfs/dbraw/zinc/90/63/92/905906392.db2.gz OLFQYYUOVKOKRW-HNNXBMFYSA-N 2 2 378.923 3.963 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H](C)Cc1c(F)cccc1Cl)C2 ZINC001172851175 905906399 /nfs/dbraw/zinc/90/63/99/905906399.db2.gz OLFQYYUOVKOKRW-HNNXBMFYSA-N 2 2 378.923 3.963 20 0 GHADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001172922024 905993004 /nfs/dbraw/zinc/99/30/04/905993004.db2.gz FJMDWFIGMKEERJ-WXFUMESZSA-N 2 2 382.548 3.597 20 0 GHADLP CO[C@@H]1CCC[C@@H]([N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)C1 ZINC001172935704 906000722 /nfs/dbraw/zinc/00/07/22/906000722.db2.gz LIYAKKKHSVXCJA-AQNXPRMDSA-N 2 2 379.495 3.572 20 0 GHADLP CO[C@@H]1CCC[C@@H]([N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)C1 ZINC001172935704 906000740 /nfs/dbraw/zinc/00/07/40/906000740.db2.gz LIYAKKKHSVXCJA-AQNXPRMDSA-N 2 2 379.495 3.572 20 0 GHADLP CO[C@@H]1CCC[C@@H]([NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)C1 ZINC001172935704 906000758 /nfs/dbraw/zinc/00/07/58/906000758.db2.gz LIYAKKKHSVXCJA-AQNXPRMDSA-N 2 2 379.495 3.572 20 0 GHADLP CO[C@@H]1CCC[C@@H]([NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)C1 ZINC001172935704 906000777 /nfs/dbraw/zinc/00/07/77/906000777.db2.gz LIYAKKKHSVXCJA-AQNXPRMDSA-N 2 2 379.495 3.572 20 0 GHADLP COc1ccccc1C1([NH3+])CC[NH+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172953609 906058352 /nfs/dbraw/zinc/05/83/52/906058352.db2.gz BYTOOWUHJQWVEY-QGZVFWFLSA-N 2 2 391.556 3.591 20 0 GHADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001172998845 906073033 /nfs/dbraw/zinc/07/30/33/906073033.db2.gz PWILYKWHPXZSNH-MXVIHJGJSA-N 2 2 396.510 3.602 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001173074619 906169442 /nfs/dbraw/zinc/16/94/42/906169442.db2.gz VUOAKQNEDWUSKU-KZNAEPCWSA-N 2 2 375.513 3.631 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001173074619 906169450 /nfs/dbraw/zinc/16/94/50/906169450.db2.gz VUOAKQNEDWUSKU-KZNAEPCWSA-N 2 2 375.513 3.631 20 0 GHADLP COc1cccc2c1C[C@@H]([N@@H+]1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)CO2 ZINC001173166610 906224598 /nfs/dbraw/zinc/22/45/98/906224598.db2.gz UNKGNDXMKHEXMR-YKSBVNFPSA-N 2 2 378.516 3.597 20 0 GHADLP COc1cccc2c1C[C@@H]([N@H+]1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)CO2 ZINC001173166610 906224612 /nfs/dbraw/zinc/22/46/12/906224612.db2.gz UNKGNDXMKHEXMR-YKSBVNFPSA-N 2 2 378.516 3.597 20 0 GHADLP COc1cccc2c1C[C@@H]([NH+]1CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C1)CO2 ZINC001173166610 906224624 /nfs/dbraw/zinc/22/46/24/906224624.db2.gz UNKGNDXMKHEXMR-YKSBVNFPSA-N 2 2 378.516 3.597 20 0 GHADLP COc1cccc2c1C[C@@H]([NH+]1CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C1)CO2 ZINC001173166610 906224639 /nfs/dbraw/zinc/22/46/39/906224639.db2.gz UNKGNDXMKHEXMR-YKSBVNFPSA-N 2 2 378.516 3.597 20 0 GHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000779387227 906666929 /nfs/dbraw/zinc/66/69/29/906666929.db2.gz MCHXGSNPOJRJKU-FUHWJXTLSA-N 2 2 376.545 3.530 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ncc(-c2cccc(Br)c2)o1 ZINC000181078764 906908733 /nfs/dbraw/zinc/90/87/33/906908733.db2.gz UCWKNSMNNSYDHS-UHFFFAOYSA-N 2 2 375.270 3.823 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ncc(-c2cccc(Br)c2)o1 ZINC000181078764 906908746 /nfs/dbraw/zinc/90/87/46/906908746.db2.gz UCWKNSMNNSYDHS-UHFFFAOYSA-N 2 2 375.270 3.823 20 0 GHADLP Cc1cc2ncc([C@H](C)[NH2+]C3CC[NH+](CCc4ccccc4)CC3)c(C)n2n1 ZINC000181199875 906941996 /nfs/dbraw/zinc/94/19/96/906941996.db2.gz GWGFNZSLZYVCQA-SFHVURJKSA-N 2 2 377.536 3.704 20 0 GHADLP c1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)ccc1CC[NH+]1CCCC1 ZINC001174432346 907020869 /nfs/dbraw/zinc/02/08/69/907020869.db2.gz QCOABVMEAIREDX-UHFFFAOYSA-N 2 2 395.547 3.780 20 0 GHADLP C[NH+]1CCC(c2ccc(Nc3ccc(OCC[NH+]4CCOCC4)cc3)cc2)CC1 ZINC001174432770 907023159 /nfs/dbraw/zinc/02/31/59/907023159.db2.gz ZWTUAKHEUWTZOO-UHFFFAOYSA-N 2 2 395.547 3.950 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000366069847 921301172 /nfs/dbraw/zinc/30/11/72/921301172.db2.gz VZMFOPGMJUMMDV-IEBWSBKVSA-N 2 2 388.556 3.676 20 0 GHADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182387443 907196430 /nfs/dbraw/zinc/19/64/30/907196430.db2.gz ATTJSZNEWMKLNJ-ICSRJNTNSA-N 2 2 399.583 3.524 20 0 GHADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182387443 907196444 /nfs/dbraw/zinc/19/64/44/907196444.db2.gz ATTJSZNEWMKLNJ-ICSRJNTNSA-N 2 2 399.583 3.524 20 0 GHADLP CN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000631290074 907662460 /nfs/dbraw/zinc/66/24/60/907662460.db2.gz JVAMHWAXCVLNRF-UHFFFAOYSA-N 2 2 388.515 3.538 20 0 GHADLP C[C@H]1C[C@@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000631655890 907793073 /nfs/dbraw/zinc/79/30/73/907793073.db2.gz KOOUVZQICMRNEF-UGKGYDQZSA-N 2 2 388.515 3.584 20 0 GHADLP C[C@H]1C[C@@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000631655890 907793075 /nfs/dbraw/zinc/79/30/75/907793075.db2.gz KOOUVZQICMRNEF-UGKGYDQZSA-N 2 2 388.515 3.584 20 0 GHADLP C[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1cccc(OCC[NH+](C)C)c1 ZINC000186049081 907871135 /nfs/dbraw/zinc/87/11/35/907871135.db2.gz KTNKQGILOKVNFW-SFHVURJKSA-N 2 2 376.504 3.935 20 0 GHADLP Brc1ccc(-c2ncc(C[NH2+]CCCn3cc[nH+]c3)s2)cc1 ZINC001177104543 908409965 /nfs/dbraw/zinc/40/99/65/908409965.db2.gz WGRWXUDCOKXNOZ-UHFFFAOYSA-N 2 2 377.311 3.949 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ncc(Br)s1 ZINC001177293961 908499109 /nfs/dbraw/zinc/49/91/09/908499109.db2.gz BXFYCSFGNYYCFA-UHFFFAOYSA-N 2 2 398.370 3.916 20 0 GHADLP CN1Cc2ccccc2[C@@H]([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)C1 ZINC001178425778 909053955 /nfs/dbraw/zinc/05/39/55/909053955.db2.gz HKMHKFOEYPMMFV-NRFANRHFSA-N 2 2 396.922 3.892 20 0 GHADLP CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000266827421 909313956 /nfs/dbraw/zinc/31/39/56/909313956.db2.gz YGMWIIHVDMCWHF-QHCPKHFHSA-N 2 2 388.515 3.668 20 0 GHADLP CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000266827421 909313967 /nfs/dbraw/zinc/31/39/67/909313967.db2.gz YGMWIIHVDMCWHF-QHCPKHFHSA-N 2 2 388.515 3.668 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000267345024 909458997 /nfs/dbraw/zinc/45/89/97/909458997.db2.gz CCMAXRQJVRVZAD-XXBNENTESA-N 2 2 388.515 3.572 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000267345024 909459010 /nfs/dbraw/zinc/45/90/10/909459010.db2.gz CCMAXRQJVRVZAD-XXBNENTESA-N 2 2 388.515 3.572 20 0 GHADLP CN(C(=O)C(F)(F)c1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245712313 909848408 /nfs/dbraw/zinc/84/84/08/909848408.db2.gz NUAKPMYZWACCLW-WOJBJXKFSA-N 2 2 393.522 3.574 20 0 GHADLP CN(C(=O)C(F)(F)c1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245712313 909848418 /nfs/dbraw/zinc/84/84/18/909848418.db2.gz NUAKPMYZWACCLW-WOJBJXKFSA-N 2 2 393.522 3.574 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(-n2cccn2)cc1 ZINC000268770497 910006871 /nfs/dbraw/zinc/00/68/71/910006871.db2.gz LMYYLQNKYCMUOJ-LJQANCHMSA-N 2 2 376.504 3.555 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638747161 910223886 /nfs/dbraw/zinc/22/38/86/910223886.db2.gz BKBWYJSRHNOFGA-VLYJIQRVSA-N 3 2 397.607 3.712 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638747161 910223900 /nfs/dbraw/zinc/22/39/00/910223900.db2.gz BKBWYJSRHNOFGA-VLYJIQRVSA-N 3 2 397.607 3.712 20 0 GHADLP Cn1c2ccccc2cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1=O ZINC000639201588 910349260 /nfs/dbraw/zinc/34/92/60/910349260.db2.gz XAPMBOBYEDMRES-QPPBQGQZSA-N 2 2 387.527 3.996 20 0 GHADLP Cn1c2ccccc2cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1=O ZINC000639201588 910349279 /nfs/dbraw/zinc/34/92/79/910349279.db2.gz XAPMBOBYEDMRES-QPPBQGQZSA-N 2 2 387.527 3.996 20 0 GHADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639247326 910365625 /nfs/dbraw/zinc/36/56/25/910365625.db2.gz STKAKHLDGKCEID-KPLVRAHFSA-N 2 2 378.520 3.675 20 0 GHADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639247326 910365641 /nfs/dbraw/zinc/36/56/41/910365641.db2.gz STKAKHLDGKCEID-KPLVRAHFSA-N 2 2 378.520 3.675 20 0 GHADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC001181244314 910625628 /nfs/dbraw/zinc/62/56/28/910625628.db2.gz PDSKBJWUHVNNON-RBUKOAKNSA-N 2 2 397.563 3.696 20 0 GHADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC001181244314 910625636 /nfs/dbraw/zinc/62/56/36/910625636.db2.gz PDSKBJWUHVNNON-RBUKOAKNSA-N 2 2 397.563 3.696 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3csc(-c4cccs4)n3)CC2)CC1 ZINC000270827492 910710947 /nfs/dbraw/zinc/71/09/47/910710947.db2.gz CECFILXYINMINR-UHFFFAOYSA-N 2 2 390.622 3.862 20 0 GHADLP COc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000641979465 911641187 /nfs/dbraw/zinc/64/11/87/911641187.db2.gz KVFPMHZXNGHRPM-WOJBJXKFSA-N 2 2 395.547 3.593 20 0 GHADLP COc1ccc([C@@H](C)[N@@H+](C)CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000641979465 911641196 /nfs/dbraw/zinc/64/11/96/911641196.db2.gz KVFPMHZXNGHRPM-WOJBJXKFSA-N 2 2 395.547 3.593 20 0 GHADLP Oc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000642341724 912000421 /nfs/dbraw/zinc/00/04/21/912000421.db2.gz QDLMCTHWEGHMRH-UHFFFAOYSA-N 2 2 393.453 3.713 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001182872913 912095552 /nfs/dbraw/zinc/09/55/52/912095552.db2.gz HVMUCBSLENGTED-CVEARBPZSA-N 2 2 396.373 3.876 20 0 GHADLP COc1ncncc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000647184485 915075782 /nfs/dbraw/zinc/07/57/82/915075782.db2.gz JYYKTIZGISVAHS-QAPCUYQASA-N 2 2 394.441 3.677 20 0 GHADLP COc1ncncc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000647184485 915075799 /nfs/dbraw/zinc/07/57/99/915075799.db2.gz JYYKTIZGISVAHS-QAPCUYQASA-N 2 2 394.441 3.677 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)NCc1cccs1 ZINC000647241416 915101797 /nfs/dbraw/zinc/10/17/97/915101797.db2.gz NIINHWMZYYQVER-QFUCXCTJSA-N 2 2 385.577 3.786 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)NCc1cccs1 ZINC000647241416 915101800 /nfs/dbraw/zinc/10/18/00/915101800.db2.gz NIINHWMZYYQVER-QFUCXCTJSA-N 2 2 385.577 3.786 20 0 GHADLP C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@@H+]1C ZINC000291509057 915221202 /nfs/dbraw/zinc/22/12/02/915221202.db2.gz OLJNSFDEUMOVHX-LPHOPBHVSA-N 2 2 381.524 3.833 20 0 GHADLP C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@H+]1C ZINC000291509057 915221220 /nfs/dbraw/zinc/22/12/20/915221220.db2.gz OLJNSFDEUMOVHX-LPHOPBHVSA-N 2 2 381.524 3.833 20 0 GHADLP CN(C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000291563490 915250992 /nfs/dbraw/zinc/25/09/92/915250992.db2.gz VQMUWUOPRYKSCF-PMSBKCLSSA-N 2 2 393.535 3.975 20 0 GHADLP CN(C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000291563490 915251005 /nfs/dbraw/zinc/25/10/05/915251005.db2.gz VQMUWUOPRYKSCF-PMSBKCLSSA-N 2 2 393.535 3.975 20 0 GHADLP [NH3+]C[C@H]1CC[N@@H+]([C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000647829614 915402053 /nfs/dbraw/zinc/40/20/53/915402053.db2.gz DFWDGKHHWNZACS-FZKQIMNGSA-N 2 2 378.303 3.954 20 0 GHADLP [NH3+]C[C@H]1CC[N@H+]([C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000647829614 915402057 /nfs/dbraw/zinc/40/20/57/915402057.db2.gz DFWDGKHHWNZACS-FZKQIMNGSA-N 2 2 378.303 3.954 20 0 GHADLP CN(C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C(c1ccccc1)c1ccccc1 ZINC000647899569 915431216 /nfs/dbraw/zinc/43/12/16/915431216.db2.gz POZLMVGOTRGLJP-DHIUTWEWSA-N 2 2 391.559 3.698 20 0 GHADLP CN(C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C(c1ccccc1)c1ccccc1 ZINC000647899569 915431221 /nfs/dbraw/zinc/43/12/21/915431221.db2.gz POZLMVGOTRGLJP-DHIUTWEWSA-N 2 2 391.559 3.698 20 0 GHADLP Cc1cc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc(C)c1OCc1ccccn1 ZINC000097287404 915484856 /nfs/dbraw/zinc/48/48/56/915484856.db2.gz BOWOBEMKUKQOEV-QHCPKHFHSA-N 2 2 397.563 3.724 20 0 GHADLP Cc1cc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc(C)c1OCc1ccccn1 ZINC000097287404 915484867 /nfs/dbraw/zinc/48/48/67/915484867.db2.gz BOWOBEMKUKQOEV-QHCPKHFHSA-N 2 2 397.563 3.724 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000252745340 915487342 /nfs/dbraw/zinc/48/73/42/915487342.db2.gz ONCZNPUYGYYPTM-CZUORRHYSA-N 2 2 380.464 3.719 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000252745340 915487353 /nfs/dbraw/zinc/48/73/53/915487353.db2.gz ONCZNPUYGYYPTM-CZUORRHYSA-N 2 2 380.464 3.719 20 0 GHADLP CN(C(=O)c1cccc2ccncc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000648351042 915642380 /nfs/dbraw/zinc/64/23/80/915642380.db2.gz DWJGDOFMDIZXEG-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cccc2ccncc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000648351042 915642390 /nfs/dbraw/zinc/64/23/90/915642390.db2.gz DWJGDOFMDIZXEG-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP C[NH+](C)C1(CNC(=O)Nc2c(Cl)cccc2C(F)(F)F)CC[NH+](C)CC1 ZINC001189494816 916676026 /nfs/dbraw/zinc/67/60/26/916676026.db2.gz ZIICCIJVPBOBEK-UHFFFAOYSA-N 2 2 392.853 3.506 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000294888626 917033524 /nfs/dbraw/zinc/03/35/24/917033524.db2.gz DUXRQPADXSRVHW-LAUBAEHRSA-N 2 2 396.510 3.531 20 0 GHADLP O=C(c1ccccc1-n1cc[nH+]c1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001190099112 917095111 /nfs/dbraw/zinc/09/51/11/917095111.db2.gz XUYMFAJDMORLHG-UHFFFAOYSA-N 2 2 386.499 3.535 20 0 GHADLP O=C(c1ccccc1-n1cc[nH+]c1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001190099112 917095122 /nfs/dbraw/zinc/09/51/22/917095122.db2.gz XUYMFAJDMORLHG-UHFFFAOYSA-N 2 2 386.499 3.535 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000295072918 917126243 /nfs/dbraw/zinc/12/62/43/917126243.db2.gz REQGYCNMBZWCPG-IBGZPJMESA-N 2 2 388.556 3.820 20 0 GHADLP CCCn1c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)nc2ccccc21 ZINC000077434858 917358432 /nfs/dbraw/zinc/35/84/32/917358432.db2.gz HTBFAQSWMSBTLC-UHFFFAOYSA-N 2 2 378.520 3.568 20 0 GHADLP CCc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001190643034 917471004 /nfs/dbraw/zinc/47/10/04/917471004.db2.gz IIMFJFYAXSFWRD-JOCHJYFZSA-N 2 2 392.591 3.721 20 0 GHADLP CCc1ccccc1CC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001190643034 917471014 /nfs/dbraw/zinc/47/10/14/917471014.db2.gz IIMFJFYAXSFWRD-JOCHJYFZSA-N 2 2 392.591 3.721 20 0 GHADLP Clc1ccc(CC[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC001190643577 917471202 /nfs/dbraw/zinc/47/12/02/917471202.db2.gz MCFDXVSNXBANPS-NRFANRHFSA-N 2 2 398.982 3.812 20 0 GHADLP Clc1ccc(CC[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC001190643577 917471215 /nfs/dbraw/zinc/47/12/15/917471215.db2.gz MCFDXVSNXBANPS-NRFANRHFSA-N 2 2 398.982 3.812 20 0 GHADLP CCCCC[N@H+](CCNC(=O)N1CCC(n2cc[nH+]c2)CC1)Cc1ccccc1 ZINC000651223453 917530485 /nfs/dbraw/zinc/53/04/85/917530485.db2.gz IIWHQSMDWOOMLR-UHFFFAOYSA-N 2 2 397.567 3.922 20 0 GHADLP CCCCC[N@@H+](CCNC(=O)N1CCC(n2cc[nH+]c2)CC1)Cc1ccccc1 ZINC000651223453 917530491 /nfs/dbraw/zinc/53/04/91/917530491.db2.gz IIWHQSMDWOOMLR-UHFFFAOYSA-N 2 2 397.567 3.922 20 0 GHADLP COC[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000651822236 917716926 /nfs/dbraw/zinc/71/69/26/917716926.db2.gz PJWJOIZZSFOSEC-NRFANRHFSA-N 2 2 375.557 3.650 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1)c1ccccc1Cl ZINC000363082891 917741342 /nfs/dbraw/zinc/74/13/42/917741342.db2.gz FKEFOZBORWOTKF-MOPGFXCFSA-N 2 2 399.922 3.545 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1)c1ccccc1Cl ZINC000363082891 917741351 /nfs/dbraw/zinc/74/13/51/917741351.db2.gz FKEFOZBORWOTKF-MOPGFXCFSA-N 2 2 399.922 3.545 20 0 GHADLP C[NH+](C)C1CCN(c2ccc([NH2+]CCCNC(=O)OC(C)(C)C)cc2)CC1 ZINC000278528118 919531831 /nfs/dbraw/zinc/53/18/31/919531831.db2.gz UIQPNOPRZCXVIM-UHFFFAOYSA-N 2 2 376.545 3.544 20 0 GHADLP Cc1csc(C[N@@H+]2CCCC[C@]23CC(=O)N(CCn2cc[nH+]c2)C3)c1Cl ZINC001275918564 919621284 /nfs/dbraw/zinc/62/12/84/919621284.db2.gz JMEXXJJCRILHDJ-LJQANCHMSA-N 2 2 392.956 3.564 20 0 GHADLP Cc1csc(C[N@H+]2CCCC[C@]23CC(=O)N(CCn2cc[nH+]c2)C3)c1Cl ZINC001275918564 919621295 /nfs/dbraw/zinc/62/12/95/919621295.db2.gz JMEXXJJCRILHDJ-LJQANCHMSA-N 2 2 392.956 3.564 20 0 GHADLP CN(C)c1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(Cl)n1-c1ccccc1 ZINC000802638085 922277444 /nfs/dbraw/zinc/27/74/44/922277444.db2.gz KYTBLDVXNLTNFO-UHFFFAOYSA-N 2 2 389.975 3.755 20 0 GHADLP CC[NH+](CC)CCOc1cccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000903458364 923039231 /nfs/dbraw/zinc/03/92/31/923039231.db2.gz XKKYBEFHNTWBSK-NQIIRXRSSA-N 2 2 399.539 3.719 20 0 GHADLP Cc1cc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc(C)c1OCc1ccccn1 ZINC000903972948 923444248 /nfs/dbraw/zinc/44/42/48/923444248.db2.gz MNFNAYUDCLOVCV-QFIPXVFZSA-N 2 2 395.547 3.526 20 0 GHADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000676907679 924140976 /nfs/dbraw/zinc/14/09/76/924140976.db2.gz KLYFVHXPUAPGKQ-JOCHJYFZSA-N 2 2 398.938 3.595 20 0 GHADLP CN(C(=O)c1sccc1-c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370841572 924323523 /nfs/dbraw/zinc/32/35/23/924323523.db2.gz NMKJCDDXLPPRBX-IBGZPJMESA-N 2 2 383.561 3.656 20 0 GHADLP CN(C(=O)c1sccc1-c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370841572 924323525 /nfs/dbraw/zinc/32/35/25/924323525.db2.gz NMKJCDDXLPPRBX-IBGZPJMESA-N 2 2 383.561 3.656 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)CC1 ZINC000677737735 924473567 /nfs/dbraw/zinc/47/35/67/924473567.db2.gz AZTKGBQWQIGKOG-UHFFFAOYSA-N 2 2 384.593 3.801 20 0 GHADLP C[NH+](C)Cc1ccnc(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1 ZINC000371518170 924625474 /nfs/dbraw/zinc/62/54/74/924625474.db2.gz HHHAPUVHQZUQQB-SFHVURJKSA-N 2 2 381.524 3.589 20 0 GHADLP CC(C)C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372171591 925214481 /nfs/dbraw/zinc/21/44/81/925214481.db2.gz CCSOZAHUNUNCMT-VXKWHMMOSA-N 2 2 386.584 3.584 20 0 GHADLP CC(C)C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372171591 925214489 /nfs/dbraw/zinc/21/44/89/925214489.db2.gz CCSOZAHUNUNCMT-VXKWHMMOSA-N 2 2 386.584 3.584 20 0 GHADLP Cc1noc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)C2CCOCC2)n1 ZINC000411710129 926681344 /nfs/dbraw/zinc/68/13/44/926681344.db2.gz NIZOFQXTXWQDRJ-NRFANRHFSA-N 2 2 384.524 3.621 20 0 GHADLP Cc1ccc(Br)cc1NC(=O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000749262493 927021779 /nfs/dbraw/zinc/02/17/79/927021779.db2.gz ONLIKUMXDZNNAK-UHFFFAOYSA-N 2 2 399.292 3.672 20 0 GHADLP C[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(C)(C)C[NH+](C)C ZINC000374330560 927026239 /nfs/dbraw/zinc/02/62/39/927026239.db2.gz OJACSZRXVHNOLY-MRXNPFEDSA-N 2 2 381.524 3.700 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000374424024 927125722 /nfs/dbraw/zinc/12/57/22/927125722.db2.gz YCZNGZQSQIIZID-UXPWSPDFSA-N 2 2 375.900 3.679 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000374424024 927125728 /nfs/dbraw/zinc/12/57/28/927125728.db2.gz YCZNGZQSQIIZID-UXPWSPDFSA-N 2 2 375.900 3.679 20 0 GHADLP Cc1ccc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c(N(C)C)[nH+]1 ZINC000750399141 927601983 /nfs/dbraw/zinc/60/19/83/927601983.db2.gz PUVISXQOYVBCGX-KRWDZBQOSA-N 2 2 375.904 3.534 20 0 GHADLP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(N(C)C)[nH+]1 ZINC000750401748 927604057 /nfs/dbraw/zinc/60/40/57/927604057.db2.gz APELJAXGAKBBKO-MAUKXSAKSA-N 2 2 387.553 3.722 20 0 GHADLP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(N(C)C)[nH+]1 ZINC000750401748 927604068 /nfs/dbraw/zinc/60/40/68/927604068.db2.gz APELJAXGAKBBKO-MAUKXSAKSA-N 2 2 387.553 3.722 20 0 GHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](C[C@H]4CCc5ccccc54)C3)CC2)nc1 ZINC000780285338 927620990 /nfs/dbraw/zinc/62/09/90/927620990.db2.gz ITGNKZWKEKHUAM-FYYLOGMGSA-N 2 2 390.575 3.646 20 0 GHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](C[C@H]4CCc5ccccc54)C3)CC2)nc1 ZINC000780285338 927620994 /nfs/dbraw/zinc/62/09/94/927620994.db2.gz ITGNKZWKEKHUAM-FYYLOGMGSA-N 2 2 390.575 3.646 20 0 GHADLP O=C1[C@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCN1c1ccc(Cl)cc1 ZINC000543989280 928654882 /nfs/dbraw/zinc/65/48/82/928654882.db2.gz BQSSDUIWULQWJP-HXUWFJFHSA-N 2 2 386.927 3.834 20 0 GHADLP CC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000544178550 928896059 /nfs/dbraw/zinc/89/60/59/928896059.db2.gz NTBLTLSVLCXGQJ-SFTDATJTSA-N 2 2 392.532 3.992 20 0 GHADLP CCS(=O)(=O)c1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000467422060 929054785 /nfs/dbraw/zinc/05/47/85/929054785.db2.gz ZONDDTUNWONBJQ-KOUNCHBCSA-N 2 2 398.572 3.765 20 0 GHADLP CCS(=O)(=O)c1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000467422060 929054796 /nfs/dbraw/zinc/05/47/96/929054796.db2.gz ZONDDTUNWONBJQ-KOUNCHBCSA-N 2 2 398.572 3.765 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCc3ccc(F)c(F)c3F)CC2)cc1 ZINC000753575120 929426199 /nfs/dbraw/zinc/42/61/99/929426199.db2.gz HWWLYRRITSKKCJ-UHFFFAOYSA-N 2 2 377.454 3.971 20 0 GHADLP Cc1ccc(NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c(F)c1 ZINC000469766907 930147014 /nfs/dbraw/zinc/14/70/14/930147014.db2.gz YCEIUWRXZKLWJS-ROUUACIJSA-N 2 2 383.511 3.819 20 0 GHADLP Cc1ccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(F)c1 ZINC000469766905 930147220 /nfs/dbraw/zinc/14/72/20/930147220.db2.gz YCEIUWRXZKLWJS-CYGODWOOSA-N 2 2 383.511 3.819 20 0 GHADLP Cc1ccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c(F)c1 ZINC000469766905 930147226 /nfs/dbraw/zinc/14/72/26/930147226.db2.gz YCEIUWRXZKLWJS-CYGODWOOSA-N 2 2 383.511 3.819 20 0 GHADLP CCOc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc(Br)c1OC(F)F ZINC000469852575 930206900 /nfs/dbraw/zinc/20/69/00/930206900.db2.gz HGSBMHFOHXWQIB-ZYHUDNBSSA-N 2 2 393.272 3.618 20 0 GHADLP CCOc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc(Br)c1OC(F)F ZINC000469852575 930206903 /nfs/dbraw/zinc/20/69/03/930206903.db2.gz HGSBMHFOHXWQIB-ZYHUDNBSSA-N 2 2 393.272 3.618 20 0 GHADLP CC(C)c1ccc(C2(O)CCC([NH2+]C[C@@]3([NH+](C)C)CCSC3)CC2)cc1 ZINC000781897289 931016785 /nfs/dbraw/zinc/01/67/85/931016785.db2.gz QTEXGXAGFGHXHH-ORFBVSJDSA-N 2 2 376.610 3.967 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000782545195 931263815 /nfs/dbraw/zinc/26/38/15/931263815.db2.gz CELOMDKQNYLQGO-DLBZAZTESA-N 2 2 388.487 3.937 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000782545207 931264083 /nfs/dbraw/zinc/26/40/83/931264083.db2.gz CELOMDKQNYLQGO-IRXDYDNUSA-N 2 2 388.487 3.937 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cnn(C4CCC4)c3)cc2)CC1 ZINC000924692788 931477681 /nfs/dbraw/zinc/47/76/81/931477681.db2.gz QZDOFQYLUFTVGO-LJQANCHMSA-N 2 2 381.568 3.596 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCc3ncc(Br)cc32)cn1 ZINC000924723086 931516456 /nfs/dbraw/zinc/51/64/56/931516456.db2.gz JKWCLDZPACLTQG-KRWDZBQOSA-N 2 2 398.308 3.900 20 0 GHADLP COC1(OC)CC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000924941262 931591332 /nfs/dbraw/zinc/59/13/32/931591332.db2.gz NIDVUPNSTVWTLW-JOCHJYFZSA-N 2 2 377.488 3.840 20 0 GHADLP CCc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2cccnc2)cc1 ZINC000925057161 931628449 /nfs/dbraw/zinc/62/84/49/931628449.db2.gz NWOYNEXTLGDTQM-DNQXCXABSA-N 2 2 379.548 3.966 20 0 GHADLP CCC[C@@H](Cc1ccccc1)[N@H+](CCC)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783979187 931738981 /nfs/dbraw/zinc/73/89/81/931738981.db2.gz PRAAORAPRAIECC-SFTDATJTSA-N 2 2 382.552 3.817 20 0 GHADLP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783979187 931738986 /nfs/dbraw/zinc/73/89/86/931738986.db2.gz PRAAORAPRAIECC-SFTDATJTSA-N 2 2 382.552 3.817 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(OC)c1OC ZINC000558413149 931988272 /nfs/dbraw/zinc/98/82/72/931988272.db2.gz DLICWVUXBNMYKU-XMMPIXPASA-N 2 2 396.531 3.810 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(OC)c1OC ZINC000558413149 931988276 /nfs/dbraw/zinc/98/82/76/931988276.db2.gz DLICWVUXBNMYKU-XMMPIXPASA-N 2 2 396.531 3.810 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(OC)c1OC ZINC000558413149 931988279 /nfs/dbraw/zinc/98/82/79/931988279.db2.gz DLICWVUXBNMYKU-XMMPIXPASA-N 2 2 396.531 3.810 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(OC)c1OC ZINC000558413149 931988286 /nfs/dbraw/zinc/98/82/86/931988286.db2.gz DLICWVUXBNMYKU-XMMPIXPASA-N 2 2 396.531 3.810 20 0 GHADLP Cc1cc(Br)cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1OC(F)F ZINC000558493677 932034043 /nfs/dbraw/zinc/03/40/43/932034043.db2.gz HWKDVGLAWNMIRR-LBPRGKRZSA-N 2 2 386.240 3.729 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COc1c(Cl)cccc1Cl ZINC001116070959 933318370 /nfs/dbraw/zinc/31/83/70/933318370.db2.gz KPDJIPPKSDKPNC-UHFFFAOYSA-N 2 2 377.231 3.900 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC001116396522 933533588 /nfs/dbraw/zinc/53/35/88/933533588.db2.gz FLQNASSBVFLYFZ-LJQANCHMSA-N 2 2 388.515 3.980 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC001116396522 933533597 /nfs/dbraw/zinc/53/35/97/933533597.db2.gz FLQNASSBVFLYFZ-LJQANCHMSA-N 2 2 388.515 3.980 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(OCC(F)F)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC001116507595 933599597 /nfs/dbraw/zinc/59/95/97/933599597.db2.gz SDRQZZFFEADROM-WMZOPIPTSA-N 2 2 375.463 3.868 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(OCC(F)F)ccn2)CC[N@H+]1Cc1ccccc1 ZINC001116507595 933599606 /nfs/dbraw/zinc/59/96/06/933599606.db2.gz SDRQZZFFEADROM-WMZOPIPTSA-N 2 2 375.463 3.868 20 0 GHADLP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118490632 934180555 /nfs/dbraw/zinc/18/05/55/934180555.db2.gz FFVKCCQHZYBOPC-KSSFIOAISA-N 2 2 399.760 3.933 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc(-c3ccc4c[nH+]cn4c3C)n2)C1 ZINC001118934947 934288152 /nfs/dbraw/zinc/28/81/52/934288152.db2.gz DOOGUZDZXOTGDI-HXUWFJFHSA-N 2 2 389.459 3.575 20 0 GHADLP Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc(-c3ccc4c[nH+]cn4c3C)n2)C1 ZINC001118934947 934288158 /nfs/dbraw/zinc/28/81/58/934288158.db2.gz DOOGUZDZXOTGDI-HXUWFJFHSA-N 2 2 389.459 3.575 20 0 GHADLP CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccn3cc[nH+]c3c2)[NH+](C)C)cc1 ZINC000562097685 934695031 /nfs/dbraw/zinc/69/50/31/934695031.db2.gz PRRAUYXJPJJTFQ-IBGZPJMESA-N 2 2 381.480 3.546 20 0 GHADLP C[C@@H](c1cccc(NC(=O)[C@H]2CCCCC23CC[NH2+]CC3)c1)[NH+]1CCOCC1 ZINC001121921019 934788667 /nfs/dbraw/zinc/78/86/67/934788667.db2.gz NJULNSBQFKTTLB-GHTZIAJQSA-N 2 2 385.552 3.578 20 0 GHADLP Cc1nn(C)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001137748452 935768168 /nfs/dbraw/zinc/76/81/68/935768168.db2.gz BALUZQGHMANSCF-PWIZWCRZSA-N 2 2 387.959 3.509 20 0 GHADLP Cc1nn(C)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001137748452 935768170 /nfs/dbraw/zinc/76/81/70/935768170.db2.gz BALUZQGHMANSCF-PWIZWCRZSA-N 2 2 387.959 3.509 20 0 GHADLP Cc1nn(C)c(Cl)c1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001137748452 935768173 /nfs/dbraw/zinc/76/81/73/935768173.db2.gz BALUZQGHMANSCF-PWIZWCRZSA-N 2 2 387.959 3.509 20 0 GHADLP Cc1nn(C)c(Cl)c1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001137748452 935768176 /nfs/dbraw/zinc/76/81/76/935768176.db2.gz BALUZQGHMANSCF-PWIZWCRZSA-N 2 2 387.959 3.509 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[N@H+](C)CC[C@@H]3CCCC[NH+]3C)c2C)cc1 ZINC000468404174 1015672641 /nfs/dbraw/zinc/67/26/41/1015672641.db2.gz AYJGRRJYTYKPCN-NRFANRHFSA-N 2 2 384.568 3.863 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)c2C)cc1 ZINC000468404174 1015672645 /nfs/dbraw/zinc/67/26/45/1015672645.db2.gz AYJGRRJYTYKPCN-NRFANRHFSA-N 2 2 384.568 3.863 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)c2C)cc1 ZINC000468404174 1015672648 /nfs/dbraw/zinc/67/26/48/1015672648.db2.gz AYJGRRJYTYKPCN-NRFANRHFSA-N 2 2 384.568 3.863 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[NH+](C)CC[C@@H]3CCCC[N@H+]3C)c2C)cc1 ZINC000468404174 1015672653 /nfs/dbraw/zinc/67/26/53/1015672653.db2.gz AYJGRRJYTYKPCN-NRFANRHFSA-N 2 2 384.568 3.863 20 0 GHADLP COc1ccc2nc(C(F)(F)n3c[nH+]cc3C3CC[NH2+]CC3)nc(Cl)c2c1 ZINC001155063860 1032398951 /nfs/dbraw/zinc/39/89/51/1032398951.db2.gz HBYMNPHXPZGKRC-UHFFFAOYSA-N 2 2 393.825 3.553 20 0 GHADLP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001221604151 1032478127 /nfs/dbraw/zinc/47/81/27/1032478127.db2.gz NNWDPVZBBSOPEA-QFIPXVFZSA-N 2 2 391.519 3.576 20 0 GHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001221604151 1032478130 /nfs/dbraw/zinc/47/81/30/1032478130.db2.gz NNWDPVZBBSOPEA-QFIPXVFZSA-N 2 2 391.519 3.576 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)cc1 ZINC001204144642 1032600494 /nfs/dbraw/zinc/60/04/94/1032600494.db2.gz MNJQDYLOGAKVMP-UHFFFAOYSA-N 2 2 397.519 3.709 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)cc1 ZINC001204144642 1032600500 /nfs/dbraw/zinc/60/05/00/1032600500.db2.gz MNJQDYLOGAKVMP-UHFFFAOYSA-N 2 2 397.519 3.709 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CCOCC1)c1ccccc1 ZINC000925512437 1017098220 /nfs/dbraw/zinc/09/82/20/1017098220.db2.gz CNFALIZYACVRPO-REWPJTCUSA-N 3 2 381.564 3.956 20 0 GHADLP COc1cccc(C[C@H](c2ccccc2)[N@@H+]2CCc3sc(C[NH3+])nc3C2)c1 ZINC000925747161 1017145363 /nfs/dbraw/zinc/14/53/63/1017145363.db2.gz FRTXXIIXCXOBKY-HXUWFJFHSA-N 2 2 379.529 3.953 20 0 GHADLP COc1cccc(C[C@H](c2ccccc2)[N@H+]2CCc3sc(C[NH3+])nc3C2)c1 ZINC000925747161 1017145370 /nfs/dbraw/zinc/14/53/70/1017145370.db2.gz FRTXXIIXCXOBKY-HXUWFJFHSA-N 2 2 379.529 3.953 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC001204268708 1032710909 /nfs/dbraw/zinc/71/09/09/1032710909.db2.gz OCDQYNUMIWIBHR-FQEVSTJZSA-N 2 2 376.541 3.713 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[N@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC001204268708 1032710915 /nfs/dbraw/zinc/71/09/15/1032710915.db2.gz OCDQYNUMIWIBHR-FQEVSTJZSA-N 2 2 376.541 3.713 20 0 GHADLP CCOc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)cc1OC ZINC001204361307 1032799499 /nfs/dbraw/zinc/79/94/99/1032799499.db2.gz FEUSLLNZSZBMID-FGZHOGPDSA-N 2 2 380.532 3.966 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000572327037 1019765120 /nfs/dbraw/zinc/76/51/20/1019765120.db2.gz RUTWZFNFWAODTC-OAHLLOKOSA-N 2 2 379.346 3.554 20 0 GHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000572327037 1019765129 /nfs/dbraw/zinc/76/51/29/1019765129.db2.gz RUTWZFNFWAODTC-OAHLLOKOSA-N 2 2 379.346 3.554 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2)s1 ZINC000577304837 1020163519 /nfs/dbraw/zinc/16/35/19/1020163519.db2.gz MGKBCCPPXUDSPX-XFIJJGBISA-N 2 2 391.625 3.751 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2)s1 ZINC000577304837 1020163529 /nfs/dbraw/zinc/16/35/29/1020163529.db2.gz MGKBCCPPXUDSPX-XFIJJGBISA-N 2 2 391.625 3.751 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2)s1 ZINC000577304837 1020163531 /nfs/dbraw/zinc/16/35/31/1020163531.db2.gz MGKBCCPPXUDSPX-XFIJJGBISA-N 2 2 391.625 3.751 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2)s1 ZINC000577304837 1020163541 /nfs/dbraw/zinc/16/35/41/1020163541.db2.gz MGKBCCPPXUDSPX-XFIJJGBISA-N 2 2 391.625 3.751 20 0 GHADLP Cc1nc(-c2ccccc2)sc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000578640406 1020352058 /nfs/dbraw/zinc/35/20/58/1020352058.db2.gz UOXRWHGFSVCMFR-OAQYLSRUSA-N 2 2 393.556 3.627 20 0 GHADLP Cc1nc(-c2ccccc2)sc1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000578640406 1020352071 /nfs/dbraw/zinc/35/20/71/1020352071.db2.gz UOXRWHGFSVCMFR-OAQYLSRUSA-N 2 2 393.556 3.627 20 0 GHADLP COc1ccccc1N1CCC([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000631083207 1020856885 /nfs/dbraw/zinc/85/68/85/1020856885.db2.gz HVICIASZAPTZFZ-OAQYLSRUSA-N 2 2 390.531 3.971 20 0 GHADLP Brc1ccc2oc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)nc2c1 ZINC000638364258 1021040937 /nfs/dbraw/zinc/04/09/37/1021040937.db2.gz YITAUAKFYPYGQN-UHFFFAOYSA-N 2 2 387.281 3.744 20 0 GHADLP COc1ccc([C@H](C)[NH2+]Cc2ncnn2C(C)(C)C)cc1C[NH+]1CCCCC1 ZINC000800500750 1021309109 /nfs/dbraw/zinc/30/91/09/1021309109.db2.gz XOTORAYBHCRXCE-KRWDZBQOSA-N 2 2 385.556 3.878 20 0 GHADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccc(Br)cc4)s3)C[C@@H]2C1 ZINC001140299606 1021345274 /nfs/dbraw/zinc/34/52/74/1021345274.db2.gz BQJQAZFMGFXVMM-GASCZTMLSA-N 2 2 392.366 3.956 20 0 GHADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccc(Br)cc4)s3)C[C@@H]2C1 ZINC001140299606 1021345293 /nfs/dbraw/zinc/34/52/93/1021345293.db2.gz BQJQAZFMGFXVMM-GASCZTMLSA-N 2 2 392.366 3.956 20 0 GHADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cnc(-c4ccc(Br)cc4)s3)C[C@@H]2C1 ZINC001140299606 1021345310 /nfs/dbraw/zinc/34/53/10/1021345310.db2.gz BQJQAZFMGFXVMM-GASCZTMLSA-N 2 2 392.366 3.956 20 0 GHADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cnc(-c4ccc(Br)cc4)s3)C[C@@H]2C1 ZINC001140299606 1021345329 /nfs/dbraw/zinc/34/53/29/1021345329.db2.gz BQJQAZFMGFXVMM-GASCZTMLSA-N 2 2 392.366 3.956 20 0 GHADLP Cc1c[nH+]c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)nc1N1CCCC1 ZINC001156315116 1032976710 /nfs/dbraw/zinc/97/67/10/1032976710.db2.gz JUELXQCHSYRYSD-QHAWAJNXSA-N 2 2 377.536 3.708 20 0 GHADLP Cc1c[nH+]c(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)nc1N1CCCC1 ZINC001156315116 1032976714 /nfs/dbraw/zinc/97/67/14/1032976714.db2.gz JUELXQCHSYRYSD-QHAWAJNXSA-N 2 2 377.536 3.708 20 0 GHADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC001228627669 1033018142 /nfs/dbraw/zinc/01/81/42/1033018142.db2.gz ODJCKNZTVRDWPL-PBEJRMEISA-N 2 2 398.576 3.617 20 0 GHADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC001228627669 1033018158 /nfs/dbraw/zinc/01/81/58/1033018158.db2.gz ODJCKNZTVRDWPL-PBEJRMEISA-N 2 2 398.576 3.617 20 0 GHADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001228627669 1033018174 /nfs/dbraw/zinc/01/81/74/1033018174.db2.gz ODJCKNZTVRDWPL-PBEJRMEISA-N 2 2 398.576 3.617 20 0 GHADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001228627669 1033018191 /nfs/dbraw/zinc/01/81/91/1033018191.db2.gz ODJCKNZTVRDWPL-PBEJRMEISA-N 2 2 398.576 3.617 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835480001 1022174081 /nfs/dbraw/zinc/17/40/81/1022174081.db2.gz GTRQUQLPWQPMHG-XXBNENTESA-N 2 2 389.499 3.999 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835480001 1022174092 /nfs/dbraw/zinc/17/40/92/1022174092.db2.gz GTRQUQLPWQPMHG-XXBNENTESA-N 2 2 389.499 3.999 20 0 GHADLP FC(F)(F)Oc1cccc(N2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)c1 ZINC001140806071 1022581461 /nfs/dbraw/zinc/58/14/61/1022581461.db2.gz AVUHWWCHUMACMV-UHFFFAOYSA-N 2 2 376.382 3.784 20 0 GHADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cnccc1NC(=O)OC(C)(C)C ZINC001140912563 1022859178 /nfs/dbraw/zinc/85/91/78/1022859178.db2.gz DNOZKROLTJMTFO-RBUKOAKNSA-N 2 2 388.556 3.689 20 0 GHADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cnccc1NC(=O)OC(C)(C)C ZINC001140912563 1022859192 /nfs/dbraw/zinc/85/91/92/1022859192.db2.gz DNOZKROLTJMTFO-RBUKOAKNSA-N 2 2 388.556 3.689 20 0 GHADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cnccc1NC(=O)OC(C)(C)C ZINC001140912563 1022859204 /nfs/dbraw/zinc/85/92/04/1022859204.db2.gz DNOZKROLTJMTFO-RBUKOAKNSA-N 2 2 388.556 3.689 20 0 GHADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cnccc1NC(=O)OC(C)(C)C ZINC001140912563 1022859217 /nfs/dbraw/zinc/85/92/17/1022859217.db2.gz DNOZKROLTJMTFO-RBUKOAKNSA-N 2 2 388.556 3.689 20 0 GHADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001140960731 1023013787 /nfs/dbraw/zinc/01/37/87/1023013787.db2.gz CYJMHVXDJQRINZ-KDURUIRLSA-N 2 2 391.437 3.852 20 0 GHADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001140960731 1023013804 /nfs/dbraw/zinc/01/38/04/1023013804.db2.gz CYJMHVXDJQRINZ-KDURUIRLSA-N 2 2 391.437 3.852 20 0 GHADLP Cc1cc(OC(F)(F)F)ccc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001140960731 1023013820 /nfs/dbraw/zinc/01/38/20/1023013820.db2.gz CYJMHVXDJQRINZ-KDURUIRLSA-N 2 2 391.437 3.852 20 0 GHADLP Cc1cc(OC(F)(F)F)ccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001140960731 1023013830 /nfs/dbraw/zinc/01/38/30/1023013830.db2.gz CYJMHVXDJQRINZ-KDURUIRLSA-N 2 2 391.437 3.852 20 0 GHADLP C/C(=C/C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000755206066 1023127931 /nfs/dbraw/zinc/12/79/31/1023127931.db2.gz KAESGEUQHROPHX-DPYWSORHSA-N 2 2 383.580 3.886 20 0 GHADLP C/C(=C/C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000755206066 1023127934 /nfs/dbraw/zinc/12/79/34/1023127934.db2.gz KAESGEUQHROPHX-DPYWSORHSA-N 2 2 383.580 3.886 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000756098413 1023521220 /nfs/dbraw/zinc/52/12/20/1023521220.db2.gz XCGIGMZXNGXTON-UHFFFAOYSA-N 2 2 383.496 3.582 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc(F)ccc4C(F)(F)F)C[C@H]3C2)cn1 ZINC001138090860 1024049982 /nfs/dbraw/zinc/04/99/82/1024049982.db2.gz SFYLIMACIQBGPY-NVXWUHKLSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc(F)ccc4C(F)(F)F)C[C@H]3C2)cn1 ZINC001138090860 1024050002 /nfs/dbraw/zinc/05/00/02/1024050002.db2.gz SFYLIMACIQBGPY-NVXWUHKLSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc(F)ccc4C(F)(F)F)C[C@H]3C2)cn1 ZINC001138090860 1024050024 /nfs/dbraw/zinc/05/00/24/1024050024.db2.gz SFYLIMACIQBGPY-NVXWUHKLSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc(F)ccc4C(F)(F)F)C[C@H]3C2)cn1 ZINC001138090860 1024050044 /nfs/dbraw/zinc/05/00/44/1024050044.db2.gz SFYLIMACIQBGPY-NVXWUHKLSA-N 2 2 396.432 3.532 20 0 GHADLP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1F ZINC001141221799 1024180795 /nfs/dbraw/zinc/18/07/95/1024180795.db2.gz YKRINTUJKFJYGV-IOMROCGXSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1F ZINC001141221799 1024180813 /nfs/dbraw/zinc/18/08/13/1024180813.db2.gz YKRINTUJKFJYGV-IOMROCGXSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1F ZINC001141221799 1024180819 /nfs/dbraw/zinc/18/08/19/1024180819.db2.gz YKRINTUJKFJYGV-IOMROCGXSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1F ZINC001141221799 1024180827 /nfs/dbraw/zinc/18/08/27/1024180827.db2.gz YKRINTUJKFJYGV-IOMROCGXSA-N 2 2 383.511 3.962 20 0 GHADLP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)s1 ZINC001138275143 1024524598 /nfs/dbraw/zinc/52/45/98/1024524598.db2.gz DOTXZPKBZLTRGB-SJKOYZFVSA-N 2 2 384.471 3.551 20 0 GHADLP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)s1 ZINC001138275143 1024524613 /nfs/dbraw/zinc/52/46/13/1024524613.db2.gz DOTXZPKBZLTRGB-SJKOYZFVSA-N 2 2 384.471 3.551 20 0 GHADLP COc1c(C)cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc1C ZINC001138429523 1024828024 /nfs/dbraw/zinc/82/80/24/1024828024.db2.gz RTOQOJUNWUEESK-UHFFFAOYSA-N 2 2 384.520 3.772 20 0 GHADLP COc1c(C)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc1C ZINC001138429523 1024828048 /nfs/dbraw/zinc/82/80/48/1024828048.db2.gz RTOQOJUNWUEESK-UHFFFAOYSA-N 2 2 384.520 3.772 20 0 GHADLP CCN(CC)c1ncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001138802053 1025390906 /nfs/dbraw/zinc/39/09/06/1025390906.db2.gz AZNUPCLSHZPNJK-WOJBJXKFSA-N 2 2 384.593 3.943 20 0 GHADLP CCN(CC)c1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001138802053 1025390915 /nfs/dbraw/zinc/39/09/15/1025390915.db2.gz AZNUPCLSHZPNJK-WOJBJXKFSA-N 2 2 384.593 3.943 20 0 GHADLP CCN(CC)c1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001138802053 1025390936 /nfs/dbraw/zinc/39/09/36/1025390936.db2.gz AZNUPCLSHZPNJK-WOJBJXKFSA-N 2 2 384.593 3.943 20 0 GHADLP CCN(CC)c1ncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001138802053 1025390952 /nfs/dbraw/zinc/39/09/52/1025390952.db2.gz AZNUPCLSHZPNJK-WOJBJXKFSA-N 2 2 384.593 3.943 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1ccnc(Cl)c1)C2 ZINC001138819069 1025421169 /nfs/dbraw/zinc/42/11/69/1025421169.db2.gz ZTIWJANPFBSMPK-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1ccnc(Cl)c1)C2 ZINC001138819069 1025421176 /nfs/dbraw/zinc/42/11/76/1025421176.db2.gz ZTIWJANPFBSMPK-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1ccnc(Cl)c1)C2 ZINC001138819069 1025421189 /nfs/dbraw/zinc/42/11/89/1025421189.db2.gz ZTIWJANPFBSMPK-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1ccnc(Cl)c1)C2 ZINC001138819069 1025421207 /nfs/dbraw/zinc/42/12/07/1025421207.db2.gz ZTIWJANPFBSMPK-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NCCCc3cncc(C(F)(F)F)c3)c2)C1 ZINC001162046239 1025559892 /nfs/dbraw/zinc/55/98/92/1025559892.db2.gz OWGODHODTXQQMA-GOSISDBHSA-N 2 2 378.442 3.678 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NCCCc3cncc(C(F)(F)F)c3)c2)C1 ZINC001162046239 1025559907 /nfs/dbraw/zinc/55/99/07/1025559907.db2.gz OWGODHODTXQQMA-GOSISDBHSA-N 2 2 378.442 3.678 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2ccccc2OC(F)F)CC3)n1 ZINC001138909496 1025565428 /nfs/dbraw/zinc/56/54/28/1025565428.db2.gz RWBQGPMQZHZFKU-UHFFFAOYSA-N 2 2 390.478 3.652 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2ccccc2OC(F)F)CC3)n1 ZINC001138909496 1025565446 /nfs/dbraw/zinc/56/54/46/1025565446.db2.gz RWBQGPMQZHZFKU-UHFFFAOYSA-N 2 2 390.478 3.652 20 0 GHADLP COC(=O)c1cccc(CN(c2cc(SC)cc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162191924 1025658462 /nfs/dbraw/zinc/65/84/62/1025658462.db2.gz INRRHAIVKYCJGA-IYARVYRRSA-N 2 2 385.533 3.867 20 0 GHADLP COC(=O)C1CCN(c2cc[nH+]c(NCC[PH+](C(C)C)C(C)C)n2)CC1 ZINC001162362277 1025725328 /nfs/dbraw/zinc/72/53/28/1025725328.db2.gz YQWILTDBNIRNBT-UHFFFAOYSA-N 2 2 380.473 3.577 20 0 GHADLP CCOc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1OC(C)=O ZINC001139004092 1025751048 /nfs/dbraw/zinc/75/10/48/1025751048.db2.gz NEUAZLKJRFIXMS-VXKWHMMOSA-N 2 2 394.515 3.574 20 0 GHADLP c1cc(C[NH+]2CCOCC2)cc(C[NH+]2CCC3(CC(OCC4CC4)C3)CC2)c1 ZINC001139058442 1025845647 /nfs/dbraw/zinc/84/56/47/1025845647.db2.gz OPNXRUJTTSXDLK-UHFFFAOYSA-N 2 2 384.564 3.690 20 0 GHADLP O=C1CC2(CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)c2ccccc21 ZINC001139060015 1025849978 /nfs/dbraw/zinc/84/99/78/1025849978.db2.gz NBWMZKDHDSAQSH-UHFFFAOYSA-N 2 2 390.527 3.639 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4cc5ccccc5o4)CC[C@@H]3C2)cs1 ZINC001139065789 1025862474 /nfs/dbraw/zinc/86/24/74/1025862474.db2.gz LGCPYAFEZPJCMG-XMSQKQJNSA-N 2 2 397.544 3.921 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4cc5ccccc5o4)CC[C@@H]3C2)cs1 ZINC001139065789 1025862494 /nfs/dbraw/zinc/86/24/94/1025862494.db2.gz LGCPYAFEZPJCMG-XMSQKQJNSA-N 2 2 397.544 3.921 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4cc5ccccc5o4)CC[C@@H]3C2)cs1 ZINC001139065789 1025862517 /nfs/dbraw/zinc/86/25/17/1025862517.db2.gz LGCPYAFEZPJCMG-XMSQKQJNSA-N 2 2 397.544 3.921 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4cc5ccccc5o4)CC[C@@H]3C2)cs1 ZINC001139065789 1025862546 /nfs/dbraw/zinc/86/25/46/1025862546.db2.gz LGCPYAFEZPJCMG-XMSQKQJNSA-N 2 2 397.544 3.921 20 0 GHADLP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)s2)CC1 ZINC001139291995 1026143042 /nfs/dbraw/zinc/14/30/42/1026143042.db2.gz QLAQNODANZVWSF-UHFFFAOYSA-N 2 2 399.604 3.806 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)s2)CC1 ZINC001139291995 1026143054 /nfs/dbraw/zinc/14/30/54/1026143054.db2.gz QLAQNODANZVWSF-UHFFFAOYSA-N 2 2 399.604 3.806 20 0 GHADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(N5CCCCC5)nc4)C[C@@H]3C2)cc1 ZINC001139341418 1026204008 /nfs/dbraw/zinc/20/40/08/1026204008.db2.gz RVSWNRDIQNYJQH-ZEQRLZLVSA-N 2 2 390.575 3.944 20 0 GHADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc(N5CCCCC5)nc4)C[C@@H]3C2)cc1 ZINC001139341417 1026204374 /nfs/dbraw/zinc/20/43/74/1026204374.db2.gz RVSWNRDIQNYJQH-PSWAGMNNSA-N 2 2 390.575 3.944 20 0 GHADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(N5CCCCC5)nc4)C[C@@H]3C2)cc1 ZINC001139341417 1026204387 /nfs/dbraw/zinc/20/43/87/1026204387.db2.gz RVSWNRDIQNYJQH-PSWAGMNNSA-N 2 2 390.575 3.944 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(N5CCCCC5)nc4)C[C@@H]3C2)cc1 ZINC001139341417 1026204399 /nfs/dbraw/zinc/20/43/99/1026204399.db2.gz RVSWNRDIQNYJQH-PSWAGMNNSA-N 2 2 390.575 3.944 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc(N5CCCCC5)nc4)C[C@@H]3C2)cc1 ZINC001139341417 1026204408 /nfs/dbraw/zinc/20/44/08/1026204408.db2.gz RVSWNRDIQNYJQH-PSWAGMNNSA-N 2 2 390.575 3.944 20 0 GHADLP C[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139358301 1026230433 /nfs/dbraw/zinc/23/04/33/1026230433.db2.gz OKNNZVVBZCLCAS-IEBWSBKVSA-N 2 2 384.524 3.998 20 0 GHADLP C[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139358301 1026230444 /nfs/dbraw/zinc/23/04/44/1026230444.db2.gz OKNNZVVBZCLCAS-IEBWSBKVSA-N 2 2 384.524 3.998 20 0 GHADLP Cc1csc([C@H]2C[C@@H]3CC[N@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C[C@H]3O2)n1 ZINC001139358039 1026230894 /nfs/dbraw/zinc/23/08/94/1026230894.db2.gz ICXOMLFKOWQYJZ-DFQSSKMNSA-N 2 2 380.517 3.989 20 0 GHADLP Cc1csc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C[C@H]3O2)n1 ZINC001139358039 1026230901 /nfs/dbraw/zinc/23/09/01/1026230901.db2.gz ICXOMLFKOWQYJZ-DFQSSKMNSA-N 2 2 380.517 3.989 20 0 GHADLP O=C1N(CC2CCCC2)CCC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001139358429 1026231326 /nfs/dbraw/zinc/23/13/26/1026231326.db2.gz MHDOUQFXGVIDET-UHFFFAOYSA-N 2 2 392.547 3.877 20 0 GHADLP O=C1C[C@H](c2ccccc2)C2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)N1 ZINC001139360542 1026233200 /nfs/dbraw/zinc/23/32/00/1026233200.db2.gz ZGLLUHIUKXPMFD-JOCHJYFZSA-N 2 2 386.499 3.511 20 0 GHADLP Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4ccc(-n5cc[nH+]c5)cc4)CC[N@@H+]3C2)cc1 ZINC001139360613 1026234190 /nfs/dbraw/zinc/23/41/90/1026234190.db2.gz YRUQETQPAFQVRW-ISKFKSNPSA-N 2 2 388.515 3.518 20 0 GHADLP Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4ccc(-n5cc[nH+]c5)cc4)CC[N@H+]3C2)cc1 ZINC001139360613 1026234200 /nfs/dbraw/zinc/23/42/00/1026234200.db2.gz YRUQETQPAFQVRW-ISKFKSNPSA-N 2 2 388.515 3.518 20 0 GHADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139360706 1026235041 /nfs/dbraw/zinc/23/50/41/1026235041.db2.gz DUNFQOBWEZTLGL-IBGZPJMESA-N 2 2 384.524 3.951 20 0 GHADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139360706 1026235043 /nfs/dbraw/zinc/23/50/43/1026235043.db2.gz DUNFQOBWEZTLGL-IBGZPJMESA-N 2 2 384.524 3.951 20 0 GHADLP Fc1cccc(OCC[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)c1 ZINC001461078914 1069378735 /nfs/dbraw/zinc/37/87/35/1069378735.db2.gz QDXCOESWQWAQOD-UHFFFAOYSA-N 2 2 389.858 3.923 20 0 GHADLP CCOc1ccc(C)cc1C[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001139604616 1026468797 /nfs/dbraw/zinc/46/87/97/1026468797.db2.gz WLYFHEGZGMFIBK-UHFFFAOYSA-N 2 2 381.520 3.660 20 0 GHADLP Clc1ncnc2[nH]cc(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)c21 ZINC001139936126 1026742688 /nfs/dbraw/zinc/74/26/88/1026742688.db2.gz KAKBTKODJVGSST-NRFANRHFSA-N 2 2 381.911 3.661 20 0 GHADLP Clc1ncnc2[nH]cc(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)c21 ZINC001139936126 1026742697 /nfs/dbraw/zinc/74/26/97/1026742697.db2.gz KAKBTKODJVGSST-NRFANRHFSA-N 2 2 381.911 3.661 20 0 GHADLP Clc1ncnc2[nH]cc(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)c21 ZINC001139936126 1026742706 /nfs/dbraw/zinc/74/27/06/1026742706.db2.gz KAKBTKODJVGSST-NRFANRHFSA-N 2 2 381.911 3.661 20 0 GHADLP Clc1ncnc2[nH]cc(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c21 ZINC001139936126 1026742717 /nfs/dbraw/zinc/74/27/17/1026742717.db2.gz KAKBTKODJVGSST-NRFANRHFSA-N 2 2 381.911 3.661 20 0 GHADLP COc1cc2cc[nH+]c(N([C@@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)c2cc1F ZINC001165672684 1026793108 /nfs/dbraw/zinc/79/31/08/1026793108.db2.gz WKBVZTMEQXMRLX-INIZCTEOSA-N 2 2 387.499 3.899 20 0 GHADLP COc1cc(OC2CC[NH+](Cc3ccccc3-n3cc[nH+]c3C)CC2)ccn1 ZINC001140027417 1026817422 /nfs/dbraw/zinc/81/74/22/1026817422.db2.gz LZRLYSGUDCVCIU-UHFFFAOYSA-N 2 2 378.476 3.628 20 0 GHADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC001461227926 1069452126 /nfs/dbraw/zinc/45/21/26/1069452126.db2.gz FMQRCYUVQCRQIN-WOJBJXKFSA-N 2 2 395.547 3.893 20 0 GHADLP CC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccccc1OC ZINC001203434764 1027336896 /nfs/dbraw/zinc/33/68/96/1027336896.db2.gz VUQABBXJTNABLQ-QFIPXVFZSA-N 2 2 384.520 3.647 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3c[nH]nc3-c3ccccc3)CC2)cc1 ZINC001461243080 1069458813 /nfs/dbraw/zinc/45/88/13/1069458813.db2.gz VAOYXXJAUJGUON-UHFFFAOYSA-N 2 2 375.520 3.901 20 0 GHADLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC001203885574 1027681046 /nfs/dbraw/zinc/68/10/46/1027681046.db2.gz DZNOHDDRIWKEHS-WOJBJXKFSA-N 2 2 382.470 3.886 20 0 GHADLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC001203885574 1027681058 /nfs/dbraw/zinc/68/10/58/1027681058.db2.gz DZNOHDDRIWKEHS-WOJBJXKFSA-N 2 2 382.470 3.886 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC001203885574 1027681062 /nfs/dbraw/zinc/68/10/62/1027681062.db2.gz DZNOHDDRIWKEHS-WOJBJXKFSA-N 2 2 382.470 3.886 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC001203885574 1027681067 /nfs/dbraw/zinc/68/10/67/1027681067.db2.gz DZNOHDDRIWKEHS-WOJBJXKFSA-N 2 2 382.470 3.886 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4ccc(Cl)cc4)CC[C@@H]3C2)cs1 ZINC001203921583 1027711831 /nfs/dbraw/zinc/71/18/31/1027711831.db2.gz SABFUJRLBUTYQS-YLJYHZDGSA-N 2 2 391.968 3.828 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4ccc(Cl)cc4)CC[C@@H]3C2)cs1 ZINC001203921583 1027711846 /nfs/dbraw/zinc/71/18/46/1027711846.db2.gz SABFUJRLBUTYQS-YLJYHZDGSA-N 2 2 391.968 3.828 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4ccc(Cl)cc4)CC[C@@H]3C2)cs1 ZINC001203921583 1027711862 /nfs/dbraw/zinc/71/18/62/1027711862.db2.gz SABFUJRLBUTYQS-YLJYHZDGSA-N 2 2 391.968 3.828 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4ccc(Cl)cc4)CC[C@@H]3C2)cs1 ZINC001203921583 1027711877 /nfs/dbraw/zinc/71/18/77/1027711877.db2.gz SABFUJRLBUTYQS-YLJYHZDGSA-N 2 2 391.968 3.828 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4c3OCO4)C[C@H]21 ZINC001141956517 1027742460 /nfs/dbraw/zinc/74/24/60/1027742460.db2.gz KMNNBYDCCAYJGD-DUXKGJEZSA-N 2 2 379.504 3.543 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4c3OCO4)C[C@H]21 ZINC001141956517 1027742491 /nfs/dbraw/zinc/74/24/91/1027742491.db2.gz KMNNBYDCCAYJGD-DUXKGJEZSA-N 2 2 379.504 3.543 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4c3OCO4)C[C@H]21 ZINC001141956517 1027742506 /nfs/dbraw/zinc/74/25/06/1027742506.db2.gz KMNNBYDCCAYJGD-DUXKGJEZSA-N 2 2 379.504 3.543 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3OCO4)C[C@H]21 ZINC001141956517 1027742524 /nfs/dbraw/zinc/74/25/24/1027742524.db2.gz KMNNBYDCCAYJGD-DUXKGJEZSA-N 2 2 379.504 3.543 20 0 GHADLP C[C@@H]1CC[C@@](C)(/C=C\C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000841388508 1028555328 /nfs/dbraw/zinc/55/53/28/1028555328.db2.gz XAPBDVIWLQIOKO-SCZKYNIZSA-N 2 2 375.601 3.680 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1ccc(-c3ccc(C)cc3)cc1)CC2 ZINC001142299730 1028617599 /nfs/dbraw/zinc/61/75/99/1028617599.db2.gz BZDBALZNRGOUPS-UHFFFAOYSA-N 2 2 391.559 3.838 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1ccc(-c3ccc(C)cc3)cc1)CC2 ZINC001142299730 1028617605 /nfs/dbraw/zinc/61/76/05/1028617605.db2.gz BZDBALZNRGOUPS-UHFFFAOYSA-N 2 2 391.559 3.838 20 0 GHADLP Cc1ccc(NC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c(N(C)C)[nH+]1 ZINC001216089652 1029520570 /nfs/dbraw/zinc/52/05/70/1029520570.db2.gz DJLVZFZJWFDWEN-UHFFFAOYSA-N 2 2 395.551 3.880 20 0 GHADLP Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000843048375 1029786651 /nfs/dbraw/zinc/78/66/51/1029786651.db2.gz ODRXHJUSVPFIBU-GFCCVEGCSA-N 2 2 387.742 3.981 20 0 GHADLP Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000843048375 1029786659 /nfs/dbraw/zinc/78/66/59/1029786659.db2.gz ODRXHJUSVPFIBU-GFCCVEGCSA-N 2 2 387.742 3.981 20 0 GHADLP COc1cc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(Br)cc1O ZINC001222167599 1029985304 /nfs/dbraw/zinc/98/53/04/1029985304.db2.gz OWKGDBZRCQZYTJ-LJQANCHMSA-N 2 2 397.357 3.909 20 0 GHADLP COc1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(Br)cc1O ZINC001222167599 1029985307 /nfs/dbraw/zinc/98/53/07/1029985307.db2.gz OWKGDBZRCQZYTJ-LJQANCHMSA-N 2 2 397.357 3.909 20 0 GHADLP Fc1c(Br)cc(Br)cc1C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001222208531 1030004657 /nfs/dbraw/zinc/00/46/57/1030004657.db2.gz PMZMRXCQADQWFO-UHFFFAOYSA-N 2 2 392.110 3.536 20 0 GHADLP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1cccc(C(F)(F)F)c1C)CC[NH2+]CC2 ZINC001222226784 1030020175 /nfs/dbraw/zinc/02/01/75/1030020175.db2.gz XJQXDBMLSZCOJA-KRWDZBQOSA-N 2 2 384.442 3.521 20 0 GHADLP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1cccc(C(F)(F)F)c1C)CC[NH2+]CC2 ZINC001222226784 1030020186 /nfs/dbraw/zinc/02/01/86/1030020186.db2.gz XJQXDBMLSZCOJA-KRWDZBQOSA-N 2 2 384.442 3.521 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001461691648 1069682167 /nfs/dbraw/zinc/68/21/67/1069682167.db2.gz RWIMQNYIMURMSF-VAMGGRTRSA-N 2 2 387.568 3.932 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001461691648 1069682173 /nfs/dbraw/zinc/68/21/73/1069682173.db2.gz RWIMQNYIMURMSF-VAMGGRTRSA-N 2 2 387.568 3.932 20 0 GHADLP C[N@H+](CC(=O)c1cccc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c1)Cc1ccccc1 ZINC001218093685 1030766749 /nfs/dbraw/zinc/76/67/49/1030766749.db2.gz KIIXMSONWVESCE-RPWUZVMVSA-N 2 2 378.516 3.912 20 0 GHADLP C[N@@H+](CC(=O)c1cccc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c1)Cc1ccccc1 ZINC001218093685 1030766768 /nfs/dbraw/zinc/76/67/68/1030766768.db2.gz KIIXMSONWVESCE-RPWUZVMVSA-N 2 2 378.516 3.912 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C2C[NH+](C3CCCCC3)C2)c(C)c1 ZINC001151919012 1031050791 /nfs/dbraw/zinc/05/07/91/1031050791.db2.gz YVBFKCRWWBLHCR-QFIPXVFZSA-N 2 2 380.536 3.622 20 0 GHADLP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001218846827 1031112721 /nfs/dbraw/zinc/11/27/21/1031112721.db2.gz AHIVCJLXBLKGFD-IIBYNOLFSA-N 2 2 381.520 3.672 20 0 GHADLP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001218846827 1031112730 /nfs/dbraw/zinc/11/27/30/1031112730.db2.gz AHIVCJLXBLKGFD-IIBYNOLFSA-N 2 2 381.520 3.672 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccco1 ZINC001225323630 1031350005 /nfs/dbraw/zinc/35/00/05/1031350005.db2.gz ZURCVTDSYDLUAU-WOJBJXKFSA-N 2 2 395.507 3.600 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)c1cccc2c1C[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC001220532119 1031979352 /nfs/dbraw/zinc/97/93/52/1031979352.db2.gz DEXDWBGFJGONDH-LJQANCHMSA-N 2 2 392.330 3.672 20 0 GHADLP C[C@H]1CC[N@H+](Cc2cc(Br)cc(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205303396 1033350232 /nfs/dbraw/zinc/35/02/32/1033350232.db2.gz DQOHKCODOIRFSV-CMPLNLGQSA-N 2 2 381.236 3.764 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2cc(Br)cc(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205303396 1033350258 /nfs/dbraw/zinc/35/02/58/1033350258.db2.gz DQOHKCODOIRFSV-CMPLNLGQSA-N 2 2 381.236 3.764 20 0 GHADLP COCCc1ncc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)s1 ZINC001461849781 1069790253 /nfs/dbraw/zinc/79/02/53/1069790253.db2.gz NRYSCZUBILQRGR-JOCHJYFZSA-N 2 2 385.577 3.820 20 0 GHADLP COCCc1ncc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)s1 ZINC001461849781 1069790274 /nfs/dbraw/zinc/79/02/74/1069790274.db2.gz NRYSCZUBILQRGR-JOCHJYFZSA-N 2 2 385.577 3.820 20 0 GHADLP COCCc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)s1 ZINC001461849781 1069790287 /nfs/dbraw/zinc/79/02/87/1069790287.db2.gz NRYSCZUBILQRGR-JOCHJYFZSA-N 2 2 385.577 3.820 20 0 GHADLP COCCc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)s1 ZINC001461849781 1069790295 /nfs/dbraw/zinc/79/02/95/1069790295.db2.gz NRYSCZUBILQRGR-JOCHJYFZSA-N 2 2 385.577 3.820 20 0 GHADLP Oc1cccc2sc(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)cc21 ZINC001205411929 1033399137 /nfs/dbraw/zinc/39/91/37/1033399137.db2.gz SJJUVUYIXDGQGX-GOSISDBHSA-N 2 2 382.529 3.988 20 0 GHADLP Oc1cccc2sc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)cc21 ZINC001205411929 1033399143 /nfs/dbraw/zinc/39/91/43/1033399143.db2.gz SJJUVUYIXDGQGX-GOSISDBHSA-N 2 2 382.529 3.988 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(OCc2ccccc2)cc1OC ZINC001206163747 1033749715 /nfs/dbraw/zinc/74/97/15/1033749715.db2.gz FGFRAFNDLQTNNX-RTBURBONSA-N 2 2 388.483 3.544 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(OCc2ccccc2)cc1OC ZINC001206163747 1033749726 /nfs/dbraw/zinc/74/97/26/1033749726.db2.gz FGFRAFNDLQTNNX-RTBURBONSA-N 2 2 388.483 3.544 20 0 GHADLP FC(F)(F)Oc1cccc(CC2C[NH+](Cc3ccnn3-c3cc[nH+]cc3)C2)c1 ZINC001206180988 1033755463 /nfs/dbraw/zinc/75/54/63/1033755463.db2.gz VPVGESQBDAKWCN-UHFFFAOYSA-N 2 2 388.393 3.840 20 0 GHADLP Cc1nc2c(c(O[C@H]3CCC[N@@H+](C(C)C)C3)n1)CC[NH+](Cc1ccccc1)C2 ZINC001229897086 1033780565 /nfs/dbraw/zinc/78/05/65/1033780565.db2.gz CVEPEIVOMJGXCA-FQEVSTJZSA-N 2 2 380.536 3.595 20 0 GHADLP Cc1nc2c(c(O[C@H]3CCC[N@H+](C(C)C)C3)n1)CC[NH+](Cc1ccccc1)C2 ZINC001229897086 1033780582 /nfs/dbraw/zinc/78/05/82/1033780582.db2.gz CVEPEIVOMJGXCA-FQEVSTJZSA-N 2 2 380.536 3.595 20 0 GHADLP Cc1nc2c(c(O[C@H]3CCC[NH+](C(C)C)C3)n1)CC[N@H+](Cc1ccccc1)C2 ZINC001229897086 1033780594 /nfs/dbraw/zinc/78/05/94/1033780594.db2.gz CVEPEIVOMJGXCA-FQEVSTJZSA-N 2 2 380.536 3.595 20 0 GHADLP Cc1nc2c(c(O[C@H]3CCC[NH+](C(C)C)C3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001229897086 1033780611 /nfs/dbraw/zinc/78/06/11/1033780611.db2.gz CVEPEIVOMJGXCA-FQEVSTJZSA-N 2 2 380.536 3.595 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc2c(c1)CCC21CC[NH2+]CC1 ZINC001206509045 1033881734 /nfs/dbraw/zinc/88/17/34/1033881734.db2.gz AJHJEOLRKXHEAO-UHFFFAOYSA-N 2 2 392.543 3.762 20 0 GHADLP Fc1cccc(OC(F)F)c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001207114962 1034101899 /nfs/dbraw/zinc/10/18/99/1034101899.db2.gz ZSIKBJFSVNOHQX-SJORKVTESA-N 2 2 391.437 3.776 20 0 GHADLP Fc1cccc(OC(F)F)c1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001207114962 1034101907 /nfs/dbraw/zinc/10/19/07/1034101907.db2.gz ZSIKBJFSVNOHQX-SJORKVTESA-N 2 2 391.437 3.776 20 0 GHADLP Fc1cccc(OC(F)F)c1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001207114962 1034101923 /nfs/dbraw/zinc/10/19/23/1034101923.db2.gz ZSIKBJFSVNOHQX-SJORKVTESA-N 2 2 391.437 3.776 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)Cc3cn4cccc(F)c4n3)cc2)C[C@H](C)O1 ZINC001207284380 1034237754 /nfs/dbraw/zinc/23/77/54/1034237754.db2.gz VBGFJSFSWNFPDR-HDICACEKSA-N 2 2 396.510 3.715 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3cn4cccc(F)c4n3)cc2)C[C@H](C)O1 ZINC001207284380 1034237760 /nfs/dbraw/zinc/23/77/60/1034237760.db2.gz VBGFJSFSWNFPDR-HDICACEKSA-N 2 2 396.510 3.715 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3cn4cccc(F)c4n3)cc2)C[C@H](C)O1 ZINC001207284380 1034237766 /nfs/dbraw/zinc/23/77/66/1034237766.db2.gz VBGFJSFSWNFPDR-HDICACEKSA-N 2 2 396.510 3.715 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3cn4cccc(F)c4n3)cc2)C[C@H](C)O1 ZINC001207284380 1034237770 /nfs/dbraw/zinc/23/77/70/1034237770.db2.gz VBGFJSFSWNFPDR-HDICACEKSA-N 2 2 396.510 3.715 20 0 GHADLP COc1cc2[nH+]c(N3CCC4(CC3)[NH2+]Cc3ccccc34)ccc2c(OC)c1 ZINC001159030632 1034389492 /nfs/dbraw/zinc/38/94/92/1034389492.db2.gz RQMVZLYLCQGQSV-UHFFFAOYSA-N 2 2 375.472 3.851 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001159209049 1034484629 /nfs/dbraw/zinc/48/46/29/1034484629.db2.gz VIYJHLCOBZANRT-NZQKXSOJSA-N 2 2 396.579 3.780 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001159209049 1034484638 /nfs/dbraw/zinc/48/46/38/1034484638.db2.gz VIYJHLCOBZANRT-NZQKXSOJSA-N 2 2 396.579 3.780 20 0 GHADLP COC(=O)C[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001207738911 1034550586 /nfs/dbraw/zinc/55/05/86/1034550586.db2.gz PUZYAENPLJTSJJ-PTUXOGIPSA-N 2 2 380.532 3.661 20 0 GHADLP COC(=O)C[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001207738911 1034550594 /nfs/dbraw/zinc/55/05/94/1034550594.db2.gz PUZYAENPLJTSJJ-PTUXOGIPSA-N 2 2 380.532 3.661 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](C[C@@H](C)c4ccccc4)CC[C@@H]3C2)cs1 ZINC001207906655 1034649516 /nfs/dbraw/zinc/64/95/16/1034649516.db2.gz PUGXOMDWHWUULP-NQSCKRDGSA-N 2 2 385.577 3.778 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](C[C@@H](C)c4ccccc4)CC[C@@H]3C2)cs1 ZINC001207906655 1034649529 /nfs/dbraw/zinc/64/95/29/1034649529.db2.gz PUGXOMDWHWUULP-NQSCKRDGSA-N 2 2 385.577 3.778 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](C[C@@H](C)c4ccccc4)CC[C@@H]3C2)cs1 ZINC001207906655 1034649535 /nfs/dbraw/zinc/64/95/35/1034649535.db2.gz PUGXOMDWHWUULP-NQSCKRDGSA-N 2 2 385.577 3.778 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](C[C@@H](C)c4ccccc4)CC[C@@H]3C2)cs1 ZINC001207906655 1034649547 /nfs/dbraw/zinc/64/95/47/1034649547.db2.gz PUGXOMDWHWUULP-NQSCKRDGSA-N 2 2 385.577 3.778 20 0 GHADLP C[NH+]1CCC2(C[NH+](Cc3cc(Br)cc(C(F)(F)F)c3)C2)CC1 ZINC001231587289 1034738993 /nfs/dbraw/zinc/73/89/93/1034738993.db2.gz YMSKTKWDDMJBPN-UHFFFAOYSA-N 2 2 377.248 3.996 20 0 GHADLP COc1cc(F)ccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231603100 1034759339 /nfs/dbraw/zinc/75/93/39/1034759339.db2.gz XAEUWJLLWRZVRF-WTOYTKOKSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cc(F)ccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231603100 1034759348 /nfs/dbraw/zinc/75/93/48/1034759348.db2.gz XAEUWJLLWRZVRF-WTOYTKOKSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cc(F)ccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231603100 1034759353 /nfs/dbraw/zinc/75/93/53/1034759353.db2.gz XAEUWJLLWRZVRF-WTOYTKOKSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cc(F)ccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231603100 1034759355 /nfs/dbraw/zinc/75/93/55/1034759355.db2.gz XAEUWJLLWRZVRF-WTOYTKOKSA-N 2 2 383.511 3.962 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3c(C)sc4ccccc43)C2)C1 ZINC001231644392 1034804033 /nfs/dbraw/zinc/80/40/33/1034804033.db2.gz XTJNEHHHJHQBLF-JOCHJYFZSA-N 2 2 388.577 3.771 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3c(C)sc4ccccc43)C2)C1 ZINC001231644392 1034804046 /nfs/dbraw/zinc/80/40/46/1034804046.db2.gz XTJNEHHHJHQBLF-JOCHJYFZSA-N 2 2 388.577 3.771 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3c(C)sc4ccccc43)C2)C1 ZINC001231644392 1034804057 /nfs/dbraw/zinc/80/40/57/1034804057.db2.gz XTJNEHHHJHQBLF-JOCHJYFZSA-N 2 2 388.577 3.771 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3c(C)sc4ccccc43)C2)C1 ZINC001231644392 1034804067 /nfs/dbraw/zinc/80/40/67/1034804067.db2.gz XTJNEHHHJHQBLF-JOCHJYFZSA-N 2 2 388.577 3.771 20 0 GHADLP c1nc2n(c1C[NH+]1CCCC1)CC[N@@H+](Cc1nc(-c3ccccc3)cs1)CC2 ZINC001231684105 1034834862 /nfs/dbraw/zinc/83/48/62/1034834862.db2.gz ZUCRNTKZXPZFLA-UHFFFAOYSA-N 2 2 393.560 3.661 20 0 GHADLP c1nc2n(c1C[NH+]1CCCC1)CC[N@H+](Cc1nc(-c3ccccc3)cs1)CC2 ZINC001231684105 1034834868 /nfs/dbraw/zinc/83/48/68/1034834868.db2.gz ZUCRNTKZXPZFLA-UHFFFAOYSA-N 2 2 393.560 3.661 20 0 GHADLP Oc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ccc1Cl ZINC001231731257 1034868447 /nfs/dbraw/zinc/86/84/47/1034868447.db2.gz KYMXTIWJJQFJDI-UHFFFAOYSA-N 2 2 392.952 3.974 20 0 GHADLP Oc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ccc1Cl ZINC001231731257 1034868454 /nfs/dbraw/zinc/86/84/54/1034868454.db2.gz KYMXTIWJJQFJDI-UHFFFAOYSA-N 2 2 392.952 3.974 20 0 GHADLP CC(C)Oc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001231756825 1034887373 /nfs/dbraw/zinc/88/73/73/1034887373.db2.gz BSNAXHYESHIRLA-AJSBUHFISA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1ncccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001231756825 1034887382 /nfs/dbraw/zinc/88/73/82/1034887382.db2.gz BSNAXHYESHIRLA-AJSBUHFISA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1ncccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231756825 1034887394 /nfs/dbraw/zinc/88/73/94/1034887394.db2.gz BSNAXHYESHIRLA-AJSBUHFISA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1ncccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231756825 1034887404 /nfs/dbraw/zinc/88/74/04/1034887404.db2.gz BSNAXHYESHIRLA-AJSBUHFISA-N 2 2 394.563 3.996 20 0 GHADLP Cc1nc(-c2ccccc2)ncc1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001231798918 1034916334 /nfs/dbraw/zinc/91/63/34/1034916334.db2.gz WXSDAUZHGQMGKF-DEOSSOPVSA-N 2 2 394.563 3.775 20 0 GHADLP Cc1nc(-c2ccccc2)ncc1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001231798918 1034916341 /nfs/dbraw/zinc/91/63/41/1034916341.db2.gz WXSDAUZHGQMGKF-DEOSSOPVSA-N 2 2 394.563 3.775 20 0 GHADLP Cc1nc(-c2ccccc2)ncc1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001231798918 1034916346 /nfs/dbraw/zinc/91/63/46/1034916346.db2.gz WXSDAUZHGQMGKF-DEOSSOPVSA-N 2 2 394.563 3.775 20 0 GHADLP Cc1nc(-c2ccccc2)ncc1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001231798918 1034916351 /nfs/dbraw/zinc/91/63/51/1034916351.db2.gz WXSDAUZHGQMGKF-DEOSSOPVSA-N 2 2 394.563 3.775 20 0 GHADLP c1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)ccc1C[C@H]1CCC[NH2+]C1 ZINC001160256729 1034920269 /nfs/dbraw/zinc/92/02/69/1034920269.db2.gz NKXJEZJPVIWFBC-OAQYLSRUSA-N 2 2 395.547 3.683 20 0 GHADLP FC(F)(F)c1ccc(CCC[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)cc1 ZINC001208688218 1034980584 /nfs/dbraw/zinc/98/05/84/1034980584.db2.gz VSGAGVRDRWHMBD-UHFFFAOYSA-N 2 2 390.409 3.929 20 0 GHADLP FC(F)(F)c1ccc(CCC[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)cc1 ZINC001208688218 1034980588 /nfs/dbraw/zinc/98/05/88/1034980588.db2.gz VSGAGVRDRWHMBD-UHFFFAOYSA-N 2 2 390.409 3.929 20 0 GHADLP CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)C34CCC([NH3+])(CC3)CC4)CC2)cc1 ZINC001160595666 1035013017 /nfs/dbraw/zinc/01/30/17/1035013017.db2.gz SMBWWOMMFIYBTG-UHFFFAOYSA-N 2 2 383.580 3.680 20 0 GHADLP FC(F)(F)c1ccc(N2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)nc1Cl ZINC001232013536 1035044363 /nfs/dbraw/zinc/04/43/63/1035044363.db2.gz BDBGHSGKVFAQRO-UHFFFAOYSA-N 2 2 395.816 3.952 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208940392 1035109983 /nfs/dbraw/zinc/10/99/83/1035109983.db2.gz CJAODZZEHHVLSP-DYXWJJEUSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208940392 1035109985 /nfs/dbraw/zinc/10/99/85/1035109985.db2.gz CJAODZZEHHVLSP-DYXWJJEUSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208940392 1035109989 /nfs/dbraw/zinc/10/99/89/1035109989.db2.gz CJAODZZEHHVLSP-DYXWJJEUSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208940392 1035109993 /nfs/dbraw/zinc/10/99/93/1035109993.db2.gz CJAODZZEHHVLSP-DYXWJJEUSA-N 2 2 387.568 3.838 20 0 GHADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(-c4cnc(Cl)c(F)c4)cc3)C[C@@H]2C1 ZINC001232138092 1035117803 /nfs/dbraw/zinc/11/78/03/1035117803.db2.gz ZONKQUNNHPHKDU-AZUAARDMSA-N 2 2 389.902 3.694 20 0 GHADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(-c4cnc(Cl)c(F)c4)cc3)C[C@@H]2C1 ZINC001232138092 1035117811 /nfs/dbraw/zinc/11/78/11/1035117811.db2.gz ZONKQUNNHPHKDU-AZUAARDMSA-N 2 2 389.902 3.694 20 0 GHADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(-c4cnc(Cl)c(F)c4)cc3)C[C@@H]2C1 ZINC001232138092 1035117822 /nfs/dbraw/zinc/11/78/22/1035117822.db2.gz ZONKQUNNHPHKDU-AZUAARDMSA-N 2 2 389.902 3.694 20 0 GHADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(-c4cnc(Cl)c(F)c4)cc3)C[C@@H]2C1 ZINC001232138092 1035117831 /nfs/dbraw/zinc/11/78/31/1035117831.db2.gz ZONKQUNNHPHKDU-AZUAARDMSA-N 2 2 389.902 3.694 20 0 GHADLP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948245 1035119052 /nfs/dbraw/zinc/11/90/52/1035119052.db2.gz FUVCCQJFTDFTSL-RTWAWAEBSA-N 2 2 387.568 3.840 20 0 GHADLP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948245 1035119059 /nfs/dbraw/zinc/11/90/59/1035119059.db2.gz FUVCCQJFTDFTSL-RTWAWAEBSA-N 2 2 387.568 3.840 20 0 GHADLP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208948245 1035119062 /nfs/dbraw/zinc/11/90/62/1035119062.db2.gz FUVCCQJFTDFTSL-RTWAWAEBSA-N 2 2 387.568 3.840 20 0 GHADLP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948245 1035119067 /nfs/dbraw/zinc/11/90/67/1035119067.db2.gz FUVCCQJFTDFTSL-RTWAWAEBSA-N 2 2 387.568 3.840 20 0 GHADLP Clc1cccc(C[NH+]2CCN(C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208950547 1035121797 /nfs/dbraw/zinc/12/17/97/1035121797.db2.gz UGETZFAHQINWHI-JOCHJYFZSA-N 2 2 383.967 3.980 20 0 GHADLP Clc1cccc(C[NH+]2CCN(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208950547 1035121802 /nfs/dbraw/zinc/12/18/02/1035121802.db2.gz UGETZFAHQINWHI-JOCHJYFZSA-N 2 2 383.967 3.980 20 0 GHADLP Clc1cccc(CN2CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208950547 1035121807 /nfs/dbraw/zinc/12/18/07/1035121807.db2.gz UGETZFAHQINWHI-JOCHJYFZSA-N 2 2 383.967 3.980 20 0 GHADLP Clc1cccc(CN2CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208950547 1035121811 /nfs/dbraw/zinc/12/18/11/1035121811.db2.gz UGETZFAHQINWHI-JOCHJYFZSA-N 2 2 383.967 3.980 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)c1 ZINC001232148117 1035126442 /nfs/dbraw/zinc/12/64/42/1035126442.db2.gz WIUUOSAFVMAPQE-UHFFFAOYSA-N 2 2 384.524 3.819 20 0 GHADLP COc1cc(N2CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)ccc1Cl ZINC001208955762 1035126913 /nfs/dbraw/zinc/12/69/13/1035126913.db2.gz FHSUDIQORZVKAD-HXUWFJFHSA-N 2 2 399.966 3.993 20 0 GHADLP COc1cc(N2CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1Cl ZINC001208955762 1035126917 /nfs/dbraw/zinc/12/69/17/1035126917.db2.gz FHSUDIQORZVKAD-HXUWFJFHSA-N 2 2 399.966 3.993 20 0 GHADLP CN(CCC[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1)C(=O)OC(C)(C)C ZINC001209140733 1035190748 /nfs/dbraw/zinc/19/07/48/1035190748.db2.gz XXLDINDQMRURKU-UHFFFAOYSA-N 2 2 393.547 3.979 20 0 GHADLP CN(CCC[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1)C(=O)OC(C)(C)C ZINC001209140733 1035190751 /nfs/dbraw/zinc/19/07/51/1035190751.db2.gz XXLDINDQMRURKU-UHFFFAOYSA-N 2 2 393.547 3.979 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](CCCc1cccnc1)C2 ZINC001209174546 1035199774 /nfs/dbraw/zinc/19/97/74/1035199774.db2.gz MMZHBBBWPKUSBL-UHFFFAOYSA-N 2 2 376.504 3.693 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](CCCc1cccnc1)C2 ZINC001209174546 1035199777 /nfs/dbraw/zinc/19/97/77/1035199777.db2.gz MMZHBBBWPKUSBL-UHFFFAOYSA-N 2 2 376.504 3.693 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](CCCc1cccnc1)C2 ZINC001209174546 1035199779 /nfs/dbraw/zinc/19/97/79/1035199779.db2.gz MMZHBBBWPKUSBL-UHFFFAOYSA-N 2 2 376.504 3.693 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](CCCc1cccnc1)C2 ZINC001209174546 1035199781 /nfs/dbraw/zinc/19/97/81/1035199781.db2.gz MMZHBBBWPKUSBL-UHFFFAOYSA-N 2 2 376.504 3.693 20 0 GHADLP CC[N@H+](CC(=O)N(CC[NH+](C)C)Cc1ccsc1)Cc1ccccc1Cl ZINC001161296409 1035204209 /nfs/dbraw/zinc/20/42/09/1035204209.db2.gz RKBUIPQDPOZQTK-UHFFFAOYSA-N 2 2 393.984 3.814 20 0 GHADLP CC[N@@H+](CC(=O)N(CC[NH+](C)C)Cc1ccsc1)Cc1ccccc1Cl ZINC001161296409 1035204219 /nfs/dbraw/zinc/20/42/19/1035204219.db2.gz RKBUIPQDPOZQTK-UHFFFAOYSA-N 2 2 393.984 3.814 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3c[nH]c4c3cccc4C)CC2)CC1 ZINC001209484184 1035288575 /nfs/dbraw/zinc/28/85/75/1035288575.db2.gz RBBOLVIYUANCCW-UHFFFAOYSA-N 2 2 383.536 3.716 20 0 GHADLP Cc1cccc2c(C[NH+]3CCC4(CCC[N@H+]4Cc4cnn(C)c4)CC3)c[nH]c21 ZINC001209486394 1035289272 /nfs/dbraw/zinc/28/92/72/1035289272.db2.gz RPQOJGONVKUGQO-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP Cc1cccc2c(C[NH+]3CCC4(CCC[N@@H+]4Cc4cnn(C)c4)CC3)c[nH]c21 ZINC001209486394 1035289278 /nfs/dbraw/zinc/28/92/78/1035289278.db2.gz RPQOJGONVKUGQO-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2c[nH]c4ncc(Cl)cc24)CC3)cn1 ZINC001209596061 1035322523 /nfs/dbraw/zinc/32/25/23/1035322523.db2.gz OZPHNCQZAWOCHB-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2c[nH]c4ncc(Cl)cc24)CC3)cn1 ZINC001209596061 1035322530 /nfs/dbraw/zinc/32/25/30/1035322530.db2.gz OZPHNCQZAWOCHB-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP O=C(c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1)N1CCCC1 ZINC001209673146 1035351335 /nfs/dbraw/zinc/35/13/35/1035351335.db2.gz QXRDOSKEEUCYHF-OYRHEFFESA-N 2 2 395.572 3.548 20 0 GHADLP O=C(c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1)N1CCCC1 ZINC001209673146 1035351341 /nfs/dbraw/zinc/35/13/41/1035351341.db2.gz QXRDOSKEEUCYHF-OYRHEFFESA-N 2 2 395.572 3.548 20 0 GHADLP O=C(c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1)N1CCCC1 ZINC001209673146 1035351345 /nfs/dbraw/zinc/35/13/45/1035351345.db2.gz QXRDOSKEEUCYHF-OYRHEFFESA-N 2 2 395.572 3.548 20 0 GHADLP O=C(c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1)N1CCCC1 ZINC001209673146 1035351351 /nfs/dbraw/zinc/35/13/51/1035351351.db2.gz QXRDOSKEEUCYHF-OYRHEFFESA-N 2 2 395.572 3.548 20 0 GHADLP CCOc1cc(C(=O)OC)ccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001209685710 1035354855 /nfs/dbraw/zinc/35/48/55/1035354855.db2.gz RSTSJNWUPGCEMM-HXUWFJFHSA-N 2 2 396.531 3.826 20 0 GHADLP CCOc1cc(C(=O)OC)ccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001209685710 1035354859 /nfs/dbraw/zinc/35/48/59/1035354859.db2.gz RSTSJNWUPGCEMM-HXUWFJFHSA-N 2 2 396.531 3.826 20 0 GHADLP CCOc1cc(C(=O)OC)ccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001209685710 1035354863 /nfs/dbraw/zinc/35/48/63/1035354863.db2.gz RSTSJNWUPGCEMM-HXUWFJFHSA-N 2 2 396.531 3.826 20 0 GHADLP CCOc1cc(C(=O)OC)ccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001209685710 1035354866 /nfs/dbraw/zinc/35/48/66/1035354866.db2.gz RSTSJNWUPGCEMM-HXUWFJFHSA-N 2 2 396.531 3.826 20 0 GHADLP CC[NH+](CC)Cc1cc(-c2cccc(C(=O)N3CC[NH+](C)CC3)c2)ccc1F ZINC001241881695 1035740424 /nfs/dbraw/zinc/74/04/24/1035740424.db2.gz LKABMRJZQVAXNF-UHFFFAOYSA-N 2 2 383.511 3.722 20 0 GHADLP Cn1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c2c1ccnc2Cl ZINC001248835311 1036191041 /nfs/dbraw/zinc/19/10/41/1036191041.db2.gz ALMDPEGXWLVKNK-HUUCEWRRSA-N 2 2 386.952 3.852 20 0 GHADLP COC(=O)c1cccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1OC ZINC001248912653 1036239472 /nfs/dbraw/zinc/23/94/72/1036239472.db2.gz RQNWHDWYEWLWBV-DEOSSOPVSA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1cccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1OC ZINC001248912653 1036239482 /nfs/dbraw/zinc/23/94/82/1036239482.db2.gz RQNWHDWYEWLWBV-DEOSSOPVSA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1cccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1OC ZINC001248912653 1036239487 /nfs/dbraw/zinc/23/94/87/1036239487.db2.gz RQNWHDWYEWLWBV-DEOSSOPVSA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1cccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1OC ZINC001248912653 1036239495 /nfs/dbraw/zinc/23/94/95/1036239495.db2.gz RQNWHDWYEWLWBV-DEOSSOPVSA-N 2 2 394.515 3.580 20 0 GHADLP CC[N@@H+]1CCc2cc(-c3ccc(OCC[NH+]4CCOCC4)cc3F)ccc2C1 ZINC001244136337 1036390617 /nfs/dbraw/zinc/39/06/17/1036390617.db2.gz POMSLRNGVRCQAW-UHFFFAOYSA-N 2 2 384.495 3.582 20 0 GHADLP CC[N@H+]1CCc2cc(-c3ccc(OCC[NH+]4CCOCC4)cc3F)ccc2C1 ZINC001244136337 1036390635 /nfs/dbraw/zinc/39/06/35/1036390635.db2.gz POMSLRNGVRCQAW-UHFFFAOYSA-N 2 2 384.495 3.582 20 0 GHADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2C(=O)OC)CC[NH2+]1 ZINC001246283122 1037275943 /nfs/dbraw/zinc/27/59/43/1037275943.db2.gz ZVHBLVNJXCPBCQ-HZPDHXFCSA-N 2 2 383.330 3.636 20 0 GHADLP OC(c1ccccc1)(c1ccccc1)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246411555 1037367147 /nfs/dbraw/zinc/36/71/47/1037367147.db2.gz RAIXCBJCWIZJSW-LOSJGSFVSA-N 2 2 386.539 3.875 20 0 GHADLP Clc1cccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC[NH2+]CC2)c1 ZINC001246430329 1037389226 /nfs/dbraw/zinc/38/92/26/1037389226.db2.gz TZZIMQMHTGBPJP-FRIKZZABSA-N 3 2 387.999 4.000 20 0 GHADLP Clc1cccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC[NH2+]CC2)c1 ZINC001246430329 1037389251 /nfs/dbraw/zinc/38/92/51/1037389251.db2.gz TZZIMQMHTGBPJP-FRIKZZABSA-N 3 2 387.999 4.000 20 0 GHADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)CO2 ZINC001246503878 1037446527 /nfs/dbraw/zinc/44/65/27/1037446527.db2.gz MAUIXXDYKYTKCQ-LNLFQRSKSA-N 2 2 387.321 3.836 20 0 GHADLP CCOc1ccccc1N1CC[NH+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246531187 1037464791 /nfs/dbraw/zinc/46/47/91/1037464791.db2.gz CSWGUFUGPQQWKO-FGZHOGPDSA-N 2 2 379.548 3.571 20 0 GHADLP C(=C/c1ccccc1)\CN1CC[NH+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246535851 1037469745 /nfs/dbraw/zinc/46/97/45/1037469745.db2.gz MPMAAUTXWSLQKF-BCEPOAEJSA-N 2 2 375.560 3.681 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCCC[C@](F)(C[NH3+])C2)CC1 ZINC001246574223 1037487279 /nfs/dbraw/zinc/48/72/79/1037487279.db2.gz FQLVRNWUBYEEAE-CKHPTIKVSA-N 2 2 396.934 3.846 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCCC[C@](F)(C[NH3+])C2)CC1 ZINC001246574223 1037487301 /nfs/dbraw/zinc/48/73/01/1037487301.db2.gz FQLVRNWUBYEEAE-CKHPTIKVSA-N 2 2 396.934 3.846 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@@H]([N@@H+]2CCC[C@@]4(C[NH2+]CCO4)C2)CC3)cc1 ZINC001246651047 1037526356 /nfs/dbraw/zinc/52/63/56/1037526356.db2.gz VVZYWOHAPZQIIB-UKILVPOCSA-N 2 2 392.543 3.577 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@@H]([N@H+]2CCC[C@@]4(C[NH2+]CCO4)C2)CC3)cc1 ZINC001246651047 1037526368 /nfs/dbraw/zinc/52/63/68/1037526368.db2.gz VVZYWOHAPZQIIB-UKILVPOCSA-N 2 2 392.543 3.577 20 0 GHADLP c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC001246673433 1037540269 /nfs/dbraw/zinc/54/02/69/1037540269.db2.gz OGOFBMZDAAJJJN-AOYPEHQESA-N 3 2 389.587 3.904 20 0 GHADLP c1ccc(C[NH+]2CCC([N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC001246673433 1037540279 /nfs/dbraw/zinc/54/02/79/1037540279.db2.gz OGOFBMZDAAJJJN-AOYPEHQESA-N 3 2 389.587 3.904 20 0 GHADLP CCCC[C@H]1C[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)CC[NH2+]1 ZINC001246702406 1037556791 /nfs/dbraw/zinc/55/67/91/1037556791.db2.gz OKFCVXDTQCOLPE-VQTJNVASSA-N 3 2 391.625 3.726 20 0 GHADLP CCCC[C@H]1C[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)CC[NH2+]1 ZINC001246702406 1037556804 /nfs/dbraw/zinc/55/68/04/1037556804.db2.gz OKFCVXDTQCOLPE-VQTJNVASSA-N 3 2 391.625 3.726 20 0 GHADLP C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H](CC(=O)NC4CCC4)c4ccccc43)CC2)C[NH2+]1 ZINC001246757805 1037599351 /nfs/dbraw/zinc/59/93/51/1037599351.db2.gz RWZFYDNGGOEBBL-SBHAEUEKSA-N 2 2 395.591 3.707 20 0 GHADLP CCCC[C@H]1C[C@@H]([NH+]2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246783578 1037624043 /nfs/dbraw/zinc/62/40/43/1037624043.db2.gz PHBCNAGHANVDDP-PMACEKPBSA-N 2 2 394.401 3.878 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH+]2CCN(c3cc(Cl)ccn3)CC2)CC[NH2+]1 ZINC001246813601 1037648171 /nfs/dbraw/zinc/64/81/71/1037648171.db2.gz KJRDTBYSSVJLOA-ICSRJNTNSA-N 2 2 388.918 3.798 20 0 GHADLP Clc1ccc(CN2CC[NH+]([C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246836416 1037666589 /nfs/dbraw/zinc/66/65/89/1037666589.db2.gz WOADGIOBLITSII-PKTZIBPZSA-N 2 2 383.967 3.821 20 0 GHADLP Clc1ccc(C[NH+]2CCN([C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246836416 1037666597 /nfs/dbraw/zinc/66/65/97/1037666597.db2.gz WOADGIOBLITSII-PKTZIBPZSA-N 2 2 383.967 3.821 20 0 GHADLP c1ccc(C[C@@H]2C[C@@H]([NH+]3CCN(c4ccc5ccccc5n4)CC3)CC[NH2+]2)cc1 ZINC001246843549 1037671400 /nfs/dbraw/zinc/67/14/00/1037671400.db2.gz KDPPNMPQYJYXOP-PKTZIBPZSA-N 2 2 386.543 3.720 20 0 GHADLP C[NH+]1CCC([N@@H+](C2CC[NH2+]CC2)C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001246996265 1037822086 /nfs/dbraw/zinc/82/20/86/1037822086.db2.gz XDGLZHXGZBRVEM-UHFFFAOYSA-N 3 2 381.608 3.961 20 0 GHADLP c1cn2c([nH+]1)C1(CC[NH2+]CC1)[C@@H](c1nc(-c3ccc4sccc4c3)no1)C2 ZINC001247126727 1037936060 /nfs/dbraw/zinc/93/60/60/1037936060.db2.gz NEQMSSFWUGMUIM-OAHLLOKOSA-N 2 2 377.473 3.566 20 0 GHADLP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001462232253 1070104999 /nfs/dbraw/zinc/10/49/99/1070104999.db2.gz QFDFQRZRKKKOJY-PKOBYXMFSA-N 2 2 375.557 3.932 20 0 GHADLP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001462232253 1070105005 /nfs/dbraw/zinc/10/50/05/1070105005.db2.gz QFDFQRZRKKKOJY-PKOBYXMFSA-N 2 2 375.557 3.932 20 0 GHADLP FCc1cccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)n1 ZINC001232534550 1038302559 /nfs/dbraw/zinc/30/25/59/1038302559.db2.gz RPAHJWNDHWEBNR-REWPJTCUSA-N 2 2 387.543 3.512 20 0 GHADLP FCc1cccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)n1 ZINC001232534550 1038302571 /nfs/dbraw/zinc/30/25/71/1038302571.db2.gz RPAHJWNDHWEBNR-REWPJTCUSA-N 2 2 387.543 3.512 20 0 GHADLP FCc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)n1 ZINC001232534550 1038302586 /nfs/dbraw/zinc/30/25/86/1038302586.db2.gz RPAHJWNDHWEBNR-REWPJTCUSA-N 2 2 387.543 3.512 20 0 GHADLP FCc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)n1 ZINC001232534550 1038302600 /nfs/dbraw/zinc/30/26/00/1038302600.db2.gz RPAHJWNDHWEBNR-REWPJTCUSA-N 2 2 387.543 3.512 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3cccc(Br)c3Cl)no2)cc1 ZINC001247699124 1038339378 /nfs/dbraw/zinc/33/93/78/1038339378.db2.gz IPRZWJZPPVIFME-ZDUSSCGKSA-N 2 2 393.672 3.778 20 0 GHADLP COc1ncc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c2ccccc21 ZINC001232949654 1038727045 /nfs/dbraw/zinc/72/70/45/1038727045.db2.gz XLJITGXLDBAUCC-HSZRJFAPSA-N 2 2 383.536 3.566 20 0 GHADLP COc1ncc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c2ccccc21 ZINC001232949654 1038727057 /nfs/dbraw/zinc/72/70/57/1038727057.db2.gz XLJITGXLDBAUCC-HSZRJFAPSA-N 2 2 383.536 3.566 20 0 GHADLP COc1ncc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c2ccccc21 ZINC001232949654 1038727066 /nfs/dbraw/zinc/72/70/66/1038727066.db2.gz XLJITGXLDBAUCC-HSZRJFAPSA-N 2 2 383.536 3.566 20 0 GHADLP COc1ncc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c2ccccc21 ZINC001232949654 1038727070 /nfs/dbraw/zinc/72/70/70/1038727070.db2.gz XLJITGXLDBAUCC-HSZRJFAPSA-N 2 2 383.536 3.566 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ncc3O)C[C@@H]21 ZINC001233035620 1038790507 /nfs/dbraw/zinc/79/05/07/1038790507.db2.gz HBQMVYCPMBZITB-AYOQOUSVSA-N 2 2 386.927 3.568 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ncc3O)C[C@@H]21 ZINC001233035620 1038790522 /nfs/dbraw/zinc/79/05/22/1038790522.db2.gz HBQMVYCPMBZITB-AYOQOUSVSA-N 2 2 386.927 3.568 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ncc3O)C[C@@H]21 ZINC001233035620 1038790539 /nfs/dbraw/zinc/79/05/39/1038790539.db2.gz HBQMVYCPMBZITB-AYOQOUSVSA-N 2 2 386.927 3.568 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ncc3O)C[C@@H]21 ZINC001233035620 1038790552 /nfs/dbraw/zinc/79/05/52/1038790552.db2.gz HBQMVYCPMBZITB-AYOQOUSVSA-N 2 2 386.927 3.568 20 0 GHADLP CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001252749828 1039132226 /nfs/dbraw/zinc/13/22/26/1039132226.db2.gz XXMZQBBOEHQKMJ-IBGZPJMESA-N 2 2 384.520 3.662 20 0 GHADLP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2cccc3nccn32)CC1 ZINC001233362394 1039188295 /nfs/dbraw/zinc/18/82/95/1039188295.db2.gz AHBIQOIWZJURFC-UHFFFAOYSA-N 2 2 377.879 3.858 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC001233362236 1039188930 /nfs/dbraw/zinc/18/89/30/1039188930.db2.gz UEGAHXBDSWHIHU-QFIPXVFZSA-N 3 2 390.531 3.590 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC001233362236 1039188941 /nfs/dbraw/zinc/18/89/41/1039188941.db2.gz UEGAHXBDSWHIHU-QFIPXVFZSA-N 3 2 390.531 3.590 20 0 GHADLP Oc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001252949308 1039294174 /nfs/dbraw/zinc/29/41/74/1039294174.db2.gz JOORSBJCRXTGIR-DQEYMECFSA-N 2 2 388.511 3.708 20 0 GHADLP Oc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001252949308 1039294189 /nfs/dbraw/zinc/29/41/89/1039294189.db2.gz JOORSBJCRXTGIR-DQEYMECFSA-N 2 2 388.511 3.708 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC([NH2+]C3CCC4(CC4)CC3)CC2)C1 ZINC001254437032 1040231308 /nfs/dbraw/zinc/23/13/08/1040231308.db2.gz FICUFBFESUSQDD-IBGZPJMESA-N 2 2 377.573 3.773 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1OCc1ccc(C(=O)OC)cc1 ZINC001234805620 1040337259 /nfs/dbraw/zinc/33/72/59/1040337259.db2.gz BHXLOHLUSWVXCQ-UHFFFAOYSA-N 2 2 393.487 3.771 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1OCc1ccc(C(=O)OC)cc1 ZINC001234805620 1040337273 /nfs/dbraw/zinc/33/72/73/1040337273.db2.gz BHXLOHLUSWVXCQ-UHFFFAOYSA-N 2 2 393.487 3.771 20 0 GHADLP FC(F)(F)c1ccc(Oc2ccc(C[N@@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC001234970499 1040473016 /nfs/dbraw/zinc/47/30/16/1040473016.db2.gz ILEUNOULQNLEEQ-OXQOHEQNSA-N 2 2 392.421 3.918 20 0 GHADLP FC(F)(F)c1ccc(Oc2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC001234970499 1040473026 /nfs/dbraw/zinc/47/30/26/1040473026.db2.gz ILEUNOULQNLEEQ-OXQOHEQNSA-N 2 2 392.421 3.918 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[C@H]([N@@H+]3Cc4ccccc4C[C@H]3C[NH3+])C2)CC1 ZINC001254742816 1040502512 /nfs/dbraw/zinc/50/25/12/1040502512.db2.gz JLNSSTUPPKVSMO-SFTDATJTSA-N 2 2 399.579 3.942 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[C@H]([N@H+]3Cc4ccccc4C[C@H]3C[NH3+])C2)CC1 ZINC001254742816 1040502531 /nfs/dbraw/zinc/50/25/31/1040502531.db2.gz JLNSSTUPPKVSMO-SFTDATJTSA-N 2 2 399.579 3.942 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1cc(OC)c(OC)cc1C)CC2 ZINC001235019238 1040507846 /nfs/dbraw/zinc/50/78/46/1040507846.db2.gz OAJNOWRZZQHWSR-UHFFFAOYSA-N 2 2 396.531 3.658 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1cc(OC)c(OC)cc1C)CC2 ZINC001235019238 1040507864 /nfs/dbraw/zinc/50/78/64/1040507864.db2.gz OAJNOWRZZQHWSR-UHFFFAOYSA-N 2 2 396.531 3.658 20 0 GHADLP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235021397 1040513993 /nfs/dbraw/zinc/51/39/93/1040513993.db2.gz HIHRIWAIGFGVEE-JOCHJYFZSA-N 2 2 385.939 3.912 20 0 GHADLP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235021397 1040514012 /nfs/dbraw/zinc/51/40/12/1040514012.db2.gz HIHRIWAIGFGVEE-JOCHJYFZSA-N 2 2 385.939 3.912 20 0 GHADLP Brc1cc(CN2CC[NH+](C3CCCC3)CC2)ccc1-n1cc[nH+]c1 ZINC001235026508 1040517544 /nfs/dbraw/zinc/51/75/44/1040517544.db2.gz CJEUUTUQZKEKRX-UHFFFAOYSA-N 2 2 389.341 3.695 20 0 GHADLP FC(F)(F)c1ccc(Cl)c(Cl)c1C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235035767 1040529635 /nfs/dbraw/zinc/52/96/35/1040529635.db2.gz HUEGFFWSTVWFOA-QMTHXVAHSA-N 2 2 383.241 3.823 20 0 GHADLP FC(F)(F)c1ccc(Cl)c(Cl)c1C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235035767 1040529659 /nfs/dbraw/zinc/52/96/59/1040529659.db2.gz HUEGFFWSTVWFOA-QMTHXVAHSA-N 2 2 383.241 3.823 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c(-c4ccccc4F)c3)CC2)C1 ZINC001235045253 1040537284 /nfs/dbraw/zinc/53/72/84/1040537284.db2.gz BSPXFXRREHLAGF-SFHVURJKSA-N 2 2 399.510 3.670 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c(-c4ccccc4F)c3)CC2)C1 ZINC001235045253 1040537302 /nfs/dbraw/zinc/53/73/02/1040537302.db2.gz BSPXFXRREHLAGF-SFHVURJKSA-N 2 2 399.510 3.670 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)ccc1-n1ccnc1 ZINC001235253488 1040735469 /nfs/dbraw/zinc/73/54/69/1040735469.db2.gz IZPVPBXBTBAKFF-ZJSXRUAMSA-N 2 2 388.515 3.603 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)ccc1-n1ccnc1 ZINC001235253488 1040735486 /nfs/dbraw/zinc/73/54/86/1040735486.db2.gz IZPVPBXBTBAKFF-ZJSXRUAMSA-N 2 2 388.515 3.603 20 0 GHADLP CCc1cccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)n1 ZINC001235259277 1040742267 /nfs/dbraw/zinc/74/22/67/1040742267.db2.gz PFISJVNEVITFNZ-URXFXBBRSA-N 2 2 383.580 3.605 20 0 GHADLP CCc1cccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)n1 ZINC001235259277 1040742286 /nfs/dbraw/zinc/74/22/86/1040742286.db2.gz PFISJVNEVITFNZ-URXFXBBRSA-N 2 2 383.580 3.605 20 0 GHADLP CCc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)n1 ZINC001235259277 1040742297 /nfs/dbraw/zinc/74/22/97/1040742297.db2.gz PFISJVNEVITFNZ-URXFXBBRSA-N 2 2 383.580 3.605 20 0 GHADLP CCc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)n1 ZINC001235259277 1040742309 /nfs/dbraw/zinc/74/23/09/1040742309.db2.gz PFISJVNEVITFNZ-URXFXBBRSA-N 2 2 383.580 3.605 20 0 GHADLP Cc1cccnc1N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255135423 1040836913 /nfs/dbraw/zinc/83/69/13/1040836913.db2.gz BBPDWXCLKLQEFY-NUNAXRQHSA-N 2 2 376.548 3.708 20 0 GHADLP Cc1cccnc1N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255135423 1040836932 /nfs/dbraw/zinc/83/69/32/1040836932.db2.gz BBPDWXCLKLQEFY-NUNAXRQHSA-N 2 2 376.548 3.708 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001255150692 1040870933 /nfs/dbraw/zinc/87/09/33/1040870933.db2.gz OPRNPTMPEDWSMF-JKHIJQBDSA-N 2 2 376.500 3.984 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001255150692 1040870942 /nfs/dbraw/zinc/87/09/42/1040870942.db2.gz OPRNPTMPEDWSMF-JKHIJQBDSA-N 2 2 376.500 3.984 20 0 GHADLP COC(=O)c1ccc2c(c1)C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255150692 1040870959 /nfs/dbraw/zinc/87/09/59/1040870959.db2.gz OPRNPTMPEDWSMF-JKHIJQBDSA-N 2 2 376.500 3.984 20 0 GHADLP COC(=O)c1ccc2c(c1)C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255150692 1040870971 /nfs/dbraw/zinc/87/09/71/1040870971.db2.gz OPRNPTMPEDWSMF-JKHIJQBDSA-N 2 2 376.500 3.984 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(F)c1OC ZINC001235379600 1040900114 /nfs/dbraw/zinc/90/01/14/1040900114.db2.gz HWJCACTXHMGWRI-AUSIDOKSSA-N 2 2 384.495 3.596 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(F)c1OC ZINC001235379600 1040900115 /nfs/dbraw/zinc/90/01/15/1040900115.db2.gz HWJCACTXHMGWRI-AUSIDOKSSA-N 2 2 384.495 3.596 20 0 GHADLP COc1cc(-c2ccc[nH]2)[nH]c1C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235388691 1040906272 /nfs/dbraw/zinc/90/62/72/1040906272.db2.gz YWWTVEISTOKOMB-NTKDMRAZSA-N 2 2 390.531 3.772 20 0 GHADLP COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235388691 1040906274 /nfs/dbraw/zinc/90/62/74/1040906274.db2.gz YWWTVEISTOKOMB-NTKDMRAZSA-N 2 2 390.531 3.772 20 0 GHADLP FC(F)Oc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1OCC1CC1 ZINC001235405597 1040917608 /nfs/dbraw/zinc/91/76/08/1040917608.db2.gz OHJWAZVUZCWCOR-UYAOXDASSA-N 2 2 384.442 3.600 20 0 GHADLP FC(F)Oc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1OCC1CC1 ZINC001235405597 1040917611 /nfs/dbraw/zinc/91/76/11/1040917611.db2.gz OHJWAZVUZCWCOR-UYAOXDASSA-N 2 2 384.442 3.600 20 0 GHADLP COc1ccc(OCc2ccccc2)c(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235405749 1040918002 /nfs/dbraw/zinc/91/80/02/1040918002.db2.gz OOPWJERSICMCMH-XZOQPEGZSA-N 2 2 384.495 3.798 20 0 GHADLP COc1ccc(OCc2ccccc2)c(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235405749 1040918012 /nfs/dbraw/zinc/91/80/12/1040918012.db2.gz OOPWJERSICMCMH-XZOQPEGZSA-N 2 2 384.495 3.798 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CC3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC001255390155 1040977794 /nfs/dbraw/zinc/97/77/94/1040977794.db2.gz ZKKUTKCJRNBWMN-QHCPKHFHSA-N 3 2 378.564 3.942 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC001255390155 1040977796 /nfs/dbraw/zinc/97/77/96/1040977796.db2.gz ZKKUTKCJRNBWMN-QHCPKHFHSA-N 3 2 378.564 3.942 20 0 GHADLP CC(C)Oc1cc(F)ccc1C[N@@H+]1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001235558469 1040986239 /nfs/dbraw/zinc/98/62/39/1040986239.db2.gz ITCJEIJVAFESGL-UHFFFAOYSA-N 2 2 386.515 3.857 20 0 GHADLP CC(C)Oc1cc(F)ccc1C[N@H+]1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001235558469 1040986240 /nfs/dbraw/zinc/98/62/40/1040986240.db2.gz ITCJEIJVAFESGL-UHFFFAOYSA-N 2 2 386.515 3.857 20 0 GHADLP COc1cccc(CN2CC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255407528 1040994678 /nfs/dbraw/zinc/99/46/78/1040994678.db2.gz BCAFTVQEAKFHRL-DEOSSOPVSA-N 2 2 393.575 3.868 20 0 GHADLP COc1cccc(CN2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255407528 1040994679 /nfs/dbraw/zinc/99/46/79/1040994679.db2.gz BCAFTVQEAKFHRL-DEOSSOPVSA-N 2 2 393.575 3.868 20 0 GHADLP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@H]([NH3+])Cc2ccccc2)CC3)c1 ZINC001235591204 1041005414 /nfs/dbraw/zinc/00/54/14/1041005414.db2.gz IGNKJPOVXGSQFY-HSZRJFAPSA-N 3 2 393.575 3.553 20 0 GHADLP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@H]([NH3+])Cc2ccccc2)CC3)c1 ZINC001235591204 1041005447 /nfs/dbraw/zinc/00/54/47/1041005447.db2.gz IGNKJPOVXGSQFY-HSZRJFAPSA-N 3 2 393.575 3.553 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H](c3nnc(C4CCN(c5cccc[nH+]5)CC4)o3)C2)cc1 ZINC001255414328 1041007609 /nfs/dbraw/zinc/00/76/09/1041007609.db2.gz LKBRBOHDPYDJHA-FQEVSTJZSA-N 2 2 389.503 3.838 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H](c3nnc(C4CCN(c5cccc[nH+]5)CC4)o3)C2)cc1 ZINC001255414328 1041007643 /nfs/dbraw/zinc/00/76/43/1041007643.db2.gz LKBRBOHDPYDJHA-FQEVSTJZSA-N 2 2 389.503 3.838 20 0 GHADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)C1 ZINC001255712502 1041237525 /nfs/dbraw/zinc/23/75/25/1041237525.db2.gz ACAAGVWRFDURPK-IAGOWNOFSA-N 2 2 383.458 3.874 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)CC3)n1 ZINC001255716541 1041242535 /nfs/dbraw/zinc/24/25/35/1041242535.db2.gz MVZAIIPXJHHULT-SJLPKXTDSA-N 2 2 384.490 3.972 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)CC3)n1 ZINC001255716541 1041242560 /nfs/dbraw/zinc/24/25/60/1041242560.db2.gz MVZAIIPXJHHULT-SJLPKXTDSA-N 2 2 384.490 3.972 20 0 GHADLP FC(F)(F)[C@@H]1CCC[C@H](N(c2cccc[nH+]2)[C@@H]2COC3(C2)CC[NH2+]CC3)C1 ZINC001255717463 1041244731 /nfs/dbraw/zinc/24/47/31/1041244731.db2.gz SLIMZOKTUXMVNL-IKGGRYGDSA-N 2 2 383.458 3.920 20 0 GHADLP COCCC[N@H+](Cc1cccc2cc(Br)cnc21)[C@H]1CCC[NH2+]C1 ZINC001235811626 1041323513 /nfs/dbraw/zinc/32/35/13/1041323513.db2.gz VOZDXXCVIMELRC-SFHVURJKSA-N 2 2 392.341 3.588 20 0 GHADLP COCCC[N@@H+](Cc1cccc2cc(Br)cnc21)[C@H]1CCC[NH2+]C1 ZINC001235811626 1041323528 /nfs/dbraw/zinc/32/35/28/1041323528.db2.gz VOZDXXCVIMELRC-SFHVURJKSA-N 2 2 392.341 3.588 20 0 GHADLP Cc1nc(F)ccc1C[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001235811753 1041323937 /nfs/dbraw/zinc/32/39/37/1041323937.db2.gz QUSSITKANHYQIQ-UHFFFAOYSA-N 2 2 380.467 3.707 20 0 GHADLP Cc1nc(F)ccc1C[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001235811753 1041323951 /nfs/dbraw/zinc/32/39/51/1041323951.db2.gz QUSSITKANHYQIQ-UHFFFAOYSA-N 2 2 380.467 3.707 20 0 GHADLP Cc1nc(F)ccc1C[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001235811753 1041323964 /nfs/dbraw/zinc/32/39/64/1041323964.db2.gz QUSSITKANHYQIQ-UHFFFAOYSA-N 2 2 380.467 3.707 20 0 GHADLP Cc1nc(F)ccc1C[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001235811753 1041323975 /nfs/dbraw/zinc/32/39/75/1041323975.db2.gz QUSSITKANHYQIQ-UHFFFAOYSA-N 2 2 380.467 3.707 20 0 GHADLP CC(C)Oc1c(F)cc(CN2CC[NH+](C3(C)CC[NH2+]CC3)CC2)cc1Cl ZINC001235819388 1041336876 /nfs/dbraw/zinc/33/68/76/1041336876.db2.gz DLVNQXXJGJECBX-UHFFFAOYSA-N 2 2 383.939 3.526 20 0 GHADLP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3F)CC2)c1 ZINC001255852243 1041348364 /nfs/dbraw/zinc/34/83/64/1041348364.db2.gz BBEDIGSZDGSMCF-QGZVFWFLSA-N 2 2 384.495 3.798 20 0 GHADLP CCOC(=O)N1CC[C@@H]([NH2+]CC2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001256015807 1041479171 /nfs/dbraw/zinc/47/91/71/1041479171.db2.gz CLBGQCSXKGQJDQ-JOCHJYFZSA-N 2 2 393.531 3.528 20 0 GHADLP CCOC(=O)N1CC[C@H]([NH2+]CC2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001256015808 1041479469 /nfs/dbraw/zinc/47/94/69/1041479469.db2.gz CLBGQCSXKGQJDQ-QFIPXVFZSA-N 2 2 393.531 3.528 20 0 GHADLP COc1ccc2nc(Cl)c(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)cc2c1 ZINC001236011034 1041503507 /nfs/dbraw/zinc/50/35/07/1041503507.db2.gz YXGGYUMJQXEHRF-XXBNENTESA-N 2 2 393.918 3.870 20 0 GHADLP COc1ccc2nc(Cl)c(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)cc2c1 ZINC001236011034 1041503516 /nfs/dbraw/zinc/50/35/16/1041503516.db2.gz YXGGYUMJQXEHRF-XXBNENTESA-N 2 2 393.918 3.870 20 0 GHADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001236041859 1041511952 /nfs/dbraw/zinc/51/19/52/1041511952.db2.gz MPIMYJWMQOICIF-XMMPIXPASA-N 3 2 377.576 3.935 20 0 GHADLP CC[N@@H+](Cc1cc(Br)cc(Br)c1F)C[C@H]1CC[NH2+]C1 ZINC001236410198 1041705589 /nfs/dbraw/zinc/70/55/89/1041705589.db2.gz GCGRAVSFIWQUIC-JTQLQIEISA-N 2 2 394.126 3.782 20 0 GHADLP CC[N@H+](Cc1cc(Br)cc(Br)c1F)C[C@H]1CC[NH2+]C1 ZINC001236410198 1041705597 /nfs/dbraw/zinc/70/55/97/1041705597.db2.gz GCGRAVSFIWQUIC-JTQLQIEISA-N 2 2 394.126 3.782 20 0 GHADLP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C3)c2)cc1 ZINC001236353196 1041679922 /nfs/dbraw/zinc/67/99/22/1041679922.db2.gz FVHSETMQWMNHJM-RBUKOAKNSA-N 2 2 392.421 3.852 20 0 GHADLP COC(=O)c1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C3)c2)cc1 ZINC001236353196 1041679925 /nfs/dbraw/zinc/67/99/25/1041679925.db2.gz FVHSETMQWMNHJM-RBUKOAKNSA-N 2 2 392.421 3.852 20 0 GHADLP COc1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(Br)cn1 ZINC001236374903 1041687078 /nfs/dbraw/zinc/68/70/78/1041687078.db2.gz GHRCPUDBMYGSLO-CQSZACIVSA-N 2 2 382.346 3.597 20 0 GHADLP COc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(Br)cn1 ZINC001236374903 1041687081 /nfs/dbraw/zinc/68/70/81/1041687081.db2.gz GHRCPUDBMYGSLO-CQSZACIVSA-N 2 2 382.346 3.597 20 0 GHADLP COc1cc(CN(Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)ccc1-n1cc[nH+]c1 ZINC001236397455 1041701323 /nfs/dbraw/zinc/70/13/23/1041701323.db2.gz VJYGBBANYYBNJB-OAQYLSRUSA-N 2 2 394.494 3.774 20 0 GHADLP COc1ccc(C[N@H+](Cc2ccc(N3CCCCC3)nc2)C2CC[NH2+]CC2)cc1 ZINC001236442861 1041714358 /nfs/dbraw/zinc/71/43/58/1041714358.db2.gz SFHJEQMWSCAHGQ-UHFFFAOYSA-N 2 2 394.563 3.835 20 0 GHADLP COc1ccc(C[N@@H+](Cc2ccc(N3CCCCC3)nc2)C2CC[NH2+]CC2)cc1 ZINC001236442861 1041714370 /nfs/dbraw/zinc/71/43/70/1041714370.db2.gz SFHJEQMWSCAHGQ-UHFFFAOYSA-N 2 2 394.563 3.835 20 0 GHADLP COC(=O)c1cccc(C[N@H+](Cc2cc(C)c(F)c(F)c2)C2CC[NH2+]CC2)c1 ZINC001236464206 1041725824 /nfs/dbraw/zinc/72/58/24/1041725824.db2.gz CGOMMEVDNAOYSK-UHFFFAOYSA-N 2 2 388.458 3.814 20 0 GHADLP COC(=O)c1cccc(C[N@@H+](Cc2cc(C)c(F)c(F)c2)C2CC[NH2+]CC2)c1 ZINC001236464206 1041725830 /nfs/dbraw/zinc/72/58/30/1041725830.db2.gz CGOMMEVDNAOYSK-UHFFFAOYSA-N 2 2 388.458 3.814 20 0 GHADLP CC[NH+](CC)Cc1ccc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1F ZINC001236562557 1041764129 /nfs/dbraw/zinc/76/41/29/1041764129.db2.gz XMCMALDZVXBKIN-UHFFFAOYSA-N 2 2 383.511 3.722 20 0 GHADLP C[NH+]1CCN(C(=O)c2ccc(-c3ccc(F)c(C[NH+]4CCCCC4)c3)cc2)CC1 ZINC001236562525 1041764246 /nfs/dbraw/zinc/76/42/46/1041764246.db2.gz XCCPEQNLQNICBD-UHFFFAOYSA-N 2 2 395.522 3.866 20 0 GHADLP FC(F)(F)c1cccc([C@H]2C[N@H+](Cc3cc4c(s3)C[NH2+]CC4)CCO2)c1 ZINC001236604302 1041777480 /nfs/dbraw/zinc/77/74/80/1041777480.db2.gz LDDDHVWEAJDEBX-QGZVFWFLSA-N 2 2 382.451 3.986 20 0 GHADLP FC(F)(F)c1cccc([C@H]2C[N@@H+](Cc3cc4c(s3)C[NH2+]CC4)CCO2)c1 ZINC001236604302 1041777488 /nfs/dbraw/zinc/77/74/88/1041777488.db2.gz LDDDHVWEAJDEBX-QGZVFWFLSA-N 2 2 382.451 3.986 20 0 GHADLP Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)n1 ZINC001236632495 1041794161 /nfs/dbraw/zinc/79/41/61/1041794161.db2.gz MIBYOXBXZNWRDJ-UHFFFAOYSA-N 2 2 375.900 3.503 20 0 GHADLP Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)n1 ZINC001236632495 1041794165 /nfs/dbraw/zinc/79/41/65/1041794165.db2.gz MIBYOXBXZNWRDJ-UHFFFAOYSA-N 2 2 375.900 3.503 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cccc4ccoc43)CC2)C1 ZINC001236742448 1041868499 /nfs/dbraw/zinc/86/84/99/1041868499.db2.gz KXAOUNXEPWARRU-LJQANCHMSA-N 2 2 399.535 3.996 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](Cc3cccc4ccoc43)CC2)C1 ZINC001236742448 1041868507 /nfs/dbraw/zinc/86/85/07/1041868507.db2.gz KXAOUNXEPWARRU-LJQANCHMSA-N 2 2 399.535 3.996 20 0 GHADLP Cc1cc(Br)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC001236832042 1041921389 /nfs/dbraw/zinc/92/13/89/1041921389.db2.gz TUJYFBJAIGVCMO-ZIBATOQPSA-N 2 2 388.147 3.689 20 0 GHADLP Cc1cc(Br)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC001236832042 1041921390 /nfs/dbraw/zinc/92/13/90/1041921390.db2.gz TUJYFBJAIGVCMO-ZIBATOQPSA-N 2 2 388.147 3.689 20 0 GHADLP Clc1cc(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)ccc1-n1cc[nH+]c1 ZINC001236906336 1041950070 /nfs/dbraw/zinc/95/00/70/1041950070.db2.gz UYCNRDYHTIADBK-NQIIRXRSSA-N 2 2 387.911 3.686 20 0 GHADLP Clc1cc(C[N@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)ccc1-n1cc[nH+]c1 ZINC001236906336 1041950074 /nfs/dbraw/zinc/95/00/74/1041950074.db2.gz UYCNRDYHTIADBK-NQIIRXRSSA-N 2 2 387.911 3.686 20 0 GHADLP O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236916311 1041956612 /nfs/dbraw/zinc/95/66/12/1041956612.db2.gz CQBXTGSVEABRAI-OAQYLSRUSA-N 2 2 378.863 3.622 20 0 GHADLP O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236916311 1041956614 /nfs/dbraw/zinc/95/66/14/1041956614.db2.gz CQBXTGSVEABRAI-OAQYLSRUSA-N 2 2 378.863 3.622 20 0 GHADLP Cc1ccc([C@]2(C)C[N@H+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)CCO2)cc1 ZINC001236973998 1041974163 /nfs/dbraw/zinc/97/41/63/1041974163.db2.gz NTEQWYNEDIVROS-DEOSSOPVSA-N 2 2 397.538 3.634 20 0 GHADLP Cc1ccc([C@]2(C)C[N@@H+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)CCO2)cc1 ZINC001236973998 1041974166 /nfs/dbraw/zinc/97/41/66/1041974166.db2.gz NTEQWYNEDIVROS-DEOSSOPVSA-N 2 2 397.538 3.634 20 0 GHADLP C[NH+]1CCN(C2C[NH+](Cc3ccc(-c4cccc(C(F)(F)F)c4)s3)C2)CC1 ZINC001236980152 1041976239 /nfs/dbraw/zinc/97/62/39/1041976239.db2.gz KSUCSTXXBGFNON-UHFFFAOYSA-N 2 2 395.494 3.866 20 0 GHADLP FC(F)(F)Oc1ccccc1-c1ccc(C[N@H+]2CCc3[nH+]ccn3CC2)cn1 ZINC001237019767 1041993237 /nfs/dbraw/zinc/99/32/37/1041993237.db2.gz MDXKGSMAWGCEPB-UHFFFAOYSA-N 2 2 388.393 3.902 20 0 GHADLP FC(F)(F)Oc1ccccc1-c1ccc(C[N@@H+]2CCc3[nH+]ccn3CC2)cn1 ZINC001237019767 1041993239 /nfs/dbraw/zinc/99/32/39/1041993239.db2.gz MDXKGSMAWGCEPB-UHFFFAOYSA-N 2 2 388.393 3.902 20 0 GHADLP Brc1cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)ccc1-n1ccnc1 ZINC001237157267 1042068342 /nfs/dbraw/zinc/06/83/42/1042068342.db2.gz SSBQVTPURHQDDD-QGZVFWFLSA-N 2 2 389.341 3.741 20 0 GHADLP Brc1cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)ccc1-n1ccnc1 ZINC001237157267 1042068345 /nfs/dbraw/zinc/06/83/45/1042068345.db2.gz SSBQVTPURHQDDD-QGZVFWFLSA-N 2 2 389.341 3.741 20 0 GHADLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@H+](Cc3ccsc3Cl)CC2)C1=O ZINC001278069337 1042094091 /nfs/dbraw/zinc/09/40/91/1042094091.db2.gz AHFCKGZXIRUSRL-LJQANCHMSA-N 2 2 392.956 3.540 20 0 GHADLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@@H+](Cc3ccsc3Cl)CC2)C1=O ZINC001278069337 1042094101 /nfs/dbraw/zinc/09/41/01/1042094101.db2.gz AHFCKGZXIRUSRL-LJQANCHMSA-N 2 2 392.956 3.540 20 0 GHADLP COC(=O)c1cc2cc(C[N@@H+]3C[C@H]4C[C@H](C[NH+](Cc5ccco5)C4)C3)ccc2[nH]1 ZINC001237323331 1042147196 /nfs/dbraw/zinc/14/71/96/1042147196.db2.gz FRUZCBWHJCTNTG-HDICACEKSA-N 2 2 393.487 3.501 20 0 GHADLP COC(=O)c1cc2cc(C[N@H+]3C[C@H]4C[C@H](C[NH+](Cc5ccco5)C4)C3)ccc2[nH]1 ZINC001237323331 1042147199 /nfs/dbraw/zinc/14/71/99/1042147199.db2.gz FRUZCBWHJCTNTG-HDICACEKSA-N 2 2 393.487 3.501 20 0 GHADLP COC(=O)c1cc2cc(C[NH+]3C[C@H]4C[C@@H](C3)C[N@H+](Cc3ccco3)C4)ccc2[nH]1 ZINC001237323331 1042147202 /nfs/dbraw/zinc/14/72/02/1042147202.db2.gz FRUZCBWHJCTNTG-HDICACEKSA-N 2 2 393.487 3.501 20 0 GHADLP COC(=O)c1cc2cc(C[NH+]3C[C@H]4C[C@@H](C3)C[N@@H+](Cc3ccco3)C4)ccc2[nH]1 ZINC001237323331 1042147204 /nfs/dbraw/zinc/14/72/04/1042147204.db2.gz FRUZCBWHJCTNTG-HDICACEKSA-N 2 2 393.487 3.501 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccccc1NC(=O)OC(C)(C)C)CC2 ZINC001237339511 1042156027 /nfs/dbraw/zinc/15/60/27/1042156027.db2.gz FRLCSMWOGDMDCR-UHFFFAOYSA-N 2 2 388.512 3.664 20 0 GHADLP CCOC(=O)c1csc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001237354723 1042165492 /nfs/dbraw/zinc/16/54/92/1042165492.db2.gz IRKIGCPBJSTMHT-MOPGFXCFSA-N 2 2 399.560 3.664 20 0 GHADLP CCOC(=O)c1csc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001237354723 1042165493 /nfs/dbraw/zinc/16/54/93/1042165493.db2.gz IRKIGCPBJSTMHT-MOPGFXCFSA-N 2 2 399.560 3.664 20 0 GHADLP CCOC(=O)c1csc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001237354723 1042165495 /nfs/dbraw/zinc/16/54/95/1042165495.db2.gz IRKIGCPBJSTMHT-MOPGFXCFSA-N 2 2 399.560 3.664 20 0 GHADLP CCOC(=O)c1csc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001237354723 1042165496 /nfs/dbraw/zinc/16/54/96/1042165496.db2.gz IRKIGCPBJSTMHT-MOPGFXCFSA-N 2 2 399.560 3.664 20 0 GHADLP CCOC(=O)c1ccc2c(C[NH+]3CCC4(CC3)[NH2+]Cc3ccccc34)c[nH]c2c1 ZINC001237377180 1042178168 /nfs/dbraw/zinc/17/81/68/1042178168.db2.gz ZMZKGSRCJIWOOL-UHFFFAOYSA-N 2 2 389.499 3.939 20 0 GHADLP CN(C)C(=O)C1CC[NH+](C2CC[NH+](Cc3cccc4c(F)cccc34)CC2)CC1 ZINC001237516340 1042246056 /nfs/dbraw/zinc/24/60/56/1042246056.db2.gz DBGFOEFCVNMYPY-UHFFFAOYSA-N 2 2 397.538 3.744 20 0 GHADLP Clc1ncnc2ccc(C[NH+]3C[C@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)cc12 ZINC001237576214 1042268302 /nfs/dbraw/zinc/26/83/02/1042268302.db2.gz LETWGDNAEXOKBQ-HOTGVXAUSA-N 2 2 384.936 3.909 20 0 GHADLP CCc1ncc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)s1 ZINC001237823821 1042387131 /nfs/dbraw/zinc/38/71/31/1042387131.db2.gz GFPKSJKLHJBPLP-KNQAVFIVSA-N 2 2 389.609 3.666 20 0 GHADLP CCc1ncc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)s1 ZINC001237823821 1042387135 /nfs/dbraw/zinc/38/71/35/1042387135.db2.gz GFPKSJKLHJBPLP-KNQAVFIVSA-N 2 2 389.609 3.666 20 0 GHADLP CCc1ncc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)s1 ZINC001237823821 1042387137 /nfs/dbraw/zinc/38/71/37/1042387137.db2.gz GFPKSJKLHJBPLP-KNQAVFIVSA-N 2 2 389.609 3.666 20 0 GHADLP CCc1ncc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)s1 ZINC001237823821 1042387142 /nfs/dbraw/zinc/38/71/42/1042387142.db2.gz GFPKSJKLHJBPLP-KNQAVFIVSA-N 2 2 389.609 3.666 20 0 GHADLP C[N@H+](Cc1c[nH]c2ncc(Br)nc12)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001237859302 1042398232 /nfs/dbraw/zinc/39/82/32/1042398232.db2.gz WTKGKJASGGVDCX-UHFFFAOYSA-N 2 2 397.280 3.538 20 0 GHADLP C[N@@H+](Cc1c[nH]c2ncc(Br)nc12)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001237859302 1042398235 /nfs/dbraw/zinc/39/82/35/1042398235.db2.gz WTKGKJASGGVDCX-UHFFFAOYSA-N 2 2 397.280 3.538 20 0 GHADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCC[C@H]3C(=O)NC(=O)OC(C)(C)C)cc21 ZINC001237889387 1042411257 /nfs/dbraw/zinc/41/12/57/1042411257.db2.gz LEATZTWKXGESBS-IBGZPJMESA-N 2 2 399.535 3.704 20 0 GHADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@H]3C(=O)NC(=O)OC(C)(C)C)cc21 ZINC001237889387 1042411259 /nfs/dbraw/zinc/41/12/59/1042411259.db2.gz LEATZTWKXGESBS-IBGZPJMESA-N 2 2 399.535 3.704 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3cc(C)cc(SC)c3)CC2)CC1 ZINC001238680264 1042682266 /nfs/dbraw/zinc/68/22/66/1042682266.db2.gz VOVJFPTYXQURJG-UHFFFAOYSA-N 2 2 390.593 3.956 20 0 GHADLP CCOc1ccc(C)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC001238710122 1042694571 /nfs/dbraw/zinc/69/45/71/1042694571.db2.gz AIFOITAFKZQADC-UHFFFAOYSA-N 2 2 384.520 3.854 20 0 GHADLP CCOc1ccc(C)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC001238710122 1042694579 /nfs/dbraw/zinc/69/45/79/1042694579.db2.gz AIFOITAFKZQADC-UHFFFAOYSA-N 2 2 384.520 3.854 20 0 GHADLP CC1CCN(C(=O)c2cccc(-c3ccccc3C[N@@H+]3CC[C@@H]([NH3+])C3)c2)CC1 ZINC001240109870 1042892031 /nfs/dbraw/zinc/89/20/31/1042892031.db2.gz JWSGUDNSFFSURI-JOCHJYFZSA-N 2 2 377.532 3.759 20 0 GHADLP CC1CCN(C(=O)c2cccc(-c3ccccc3C[N@H+]3CC[C@@H]([NH3+])C3)c2)CC1 ZINC001240109870 1042892039 /nfs/dbraw/zinc/89/20/39/1042892039.db2.gz JWSGUDNSFFSURI-JOCHJYFZSA-N 2 2 377.532 3.759 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH2+]C[C@](O)(c2ccccc2Cl)C(F)(F)F)CC1 ZINC001462690356 1070473799 /nfs/dbraw/zinc/47/37/99/1070473799.db2.gz VYAFLSUGGJSVFZ-KRWDZBQOSA-N 2 2 378.866 3.942 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001256488690 1043425603 /nfs/dbraw/zinc/42/56/03/1043425603.db2.gz LETJBJOKHIKNRK-OKZBNKHCSA-N 2 2 375.513 3.631 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001256488690 1043425609 /nfs/dbraw/zinc/42/56/09/1043425609.db2.gz LETJBJOKHIKNRK-OKZBNKHCSA-N 2 2 375.513 3.631 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530925 1043464338 /nfs/dbraw/zinc/46/43/38/1043464338.db2.gz FWSPVBFHPIKZGG-YKSBVNFPSA-N 3 2 385.596 3.520 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530925 1043464354 /nfs/dbraw/zinc/46/43/54/1043464354.db2.gz FWSPVBFHPIKZGG-YKSBVNFPSA-N 3 2 385.596 3.520 20 0 GHADLP Cc1cc(O[C@@H]2CCC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)ncn1 ZINC001256552251 1043515367 /nfs/dbraw/zinc/51/53/67/1043515367.db2.gz ABBUZCSANKTMFK-BAGYTPMASA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cc(O[C@@H]2CCC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)ncn1 ZINC001256552251 1043515374 /nfs/dbraw/zinc/51/53/74/1043515374.db2.gz ABBUZCSANKTMFK-BAGYTPMASA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)ncn1 ZINC001256552251 1043515381 /nfs/dbraw/zinc/51/53/81/1043515381.db2.gz ABBUZCSANKTMFK-BAGYTPMASA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)ncn1 ZINC001256552251 1043515390 /nfs/dbraw/zinc/51/53/90/1043515390.db2.gz ABBUZCSANKTMFK-BAGYTPMASA-N 2 2 380.536 3.681 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](C1CC[NH+](C(C)(C)C)CC1)CC2 ZINC001256573349 1043546606 /nfs/dbraw/zinc/54/66/06/1043546606.db2.gz NINPJRLSSWQGEI-HXUWFJFHSA-N 3 2 389.584 3.598 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](C1CC[NH+](C(C)(C)C)CC1)CC2 ZINC001256573349 1043546619 /nfs/dbraw/zinc/54/66/19/1043546619.db2.gz NINPJRLSSWQGEI-HXUWFJFHSA-N 3 2 389.584 3.598 20 0 GHADLP C[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256604332 1043567938 /nfs/dbraw/zinc/56/79/38/1043567938.db2.gz OWTXEEYVWITGFV-IBGZPJMESA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256604332 1043567948 /nfs/dbraw/zinc/56/79/48/1043567948.db2.gz OWTXEEYVWITGFV-IBGZPJMESA-N 2 2 387.568 3.982 20 0 GHADLP FC1(F)CN(C2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH+]1CCCCC1 ZINC001256612343 1043575889 /nfs/dbraw/zinc/57/58/89/1043575889.db2.gz IOWBDGCLWFAMCY-OAQYLSRUSA-N 2 2 377.523 3.847 20 0 GHADLP COc1ccc(O[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC001256612687 1043577851 /nfs/dbraw/zinc/57/78/51/1043577851.db2.gz PKWGESLERHQDPT-JOCHJYFZSA-N 2 2 381.520 3.598 20 0 GHADLP COc1ccc(O[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC001256612687 1043577862 /nfs/dbraw/zinc/57/78/62/1043577862.db2.gz PKWGESLERHQDPT-JOCHJYFZSA-N 2 2 381.520 3.598 20 0 GHADLP O=C1c2ccccc2CN1C1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256612975 1043577885 /nfs/dbraw/zinc/57/78/85/1043577885.db2.gz URXZPMPLOXAFJC-UHFFFAOYSA-N 2 2 389.543 3.771 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC001292070138 1043582623 /nfs/dbraw/zinc/58/26/23/1043582623.db2.gz DYALHYCFHRLNJF-HSZRJFAPSA-N 2 2 393.531 3.547 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC001292070138 1043582635 /nfs/dbraw/zinc/58/26/35/1043582635.db2.gz DYALHYCFHRLNJF-HSZRJFAPSA-N 2 2 393.531 3.547 20 0 GHADLP COc1cccc2c1CC[C@@H]([NH2+][C@@H](C[NH3+])c1ccc(Br)cc1)C2 ZINC001256637373 1043585773 /nfs/dbraw/zinc/58/57/73/1043585773.db2.gz UJIYEFILOYQIIQ-AEFFLSMTSA-N 2 2 375.310 3.605 20 0 GHADLP [NH3+][C@@H](c1ccccc1)[C@H]([NH2+]C1CCC([NH+]2CCOCC2)CC1)c1ccccc1 ZINC001256685165 1043620743 /nfs/dbraw/zinc/62/07/43/1043620743.db2.gz YXMKIZGMAIHKRC-STTLMXHVSA-N 3 2 379.548 3.661 20 0 GHADLP C[C@@H](Cc1ccncc1)n1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC001256732717 1043639523 /nfs/dbraw/zinc/63/95/23/1043639523.db2.gz QMTXSWRJLHKSPF-SBUREZEXSA-N 2 2 399.498 3.744 20 0 GHADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(Cl)[nH]c2ccccc21 ZINC001278971613 1043716185 /nfs/dbraw/zinc/71/61/85/1043716185.db2.gz ZEHBVUQWYWGNHH-MQVJKMGUSA-N 2 2 377.916 3.527 20 0 GHADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(Cl)[nH]c2ccccc21 ZINC001278971613 1043716195 /nfs/dbraw/zinc/71/61/95/1043716195.db2.gz ZEHBVUQWYWGNHH-MQVJKMGUSA-N 2 2 377.916 3.527 20 0 GHADLP CC(C)[NH+]1CCC([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)CC1 ZINC001257219143 1043939658 /nfs/dbraw/zinc/93/96/58/1043939658.db2.gz ZIJVDSQNYHJVSG-HXUWFJFHSA-N 3 2 391.625 3.676 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257817123 1044197118 /nfs/dbraw/zinc/19/71/18/1044197118.db2.gz WKOOZJMICDTVKB-RXVVDRJESA-N 2 2 376.545 3.775 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257817123 1044197124 /nfs/dbraw/zinc/19/71/24/1044197124.db2.gz WKOOZJMICDTVKB-RXVVDRJESA-N 2 2 376.545 3.775 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC[NH+]2CCCC2)C[C@@H]1Cc1ccccc1 ZINC001257972108 1044293037 /nfs/dbraw/zinc/29/30/37/1044293037.db2.gz WTEMSOMOMUJADJ-SFTDATJTSA-N 2 2 387.568 3.683 20 0 GHADLP CC(C)C[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)CC1 ZINC001258006559 1044334378 /nfs/dbraw/zinc/33/43/78/1044334378.db2.gz JBWBOKJNTOJAAN-QHCPKHFHSA-N 2 2 385.596 3.757 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)C2CC[NH+](CCc3ccccc3)CC2)[nH+]c1 ZINC001258149305 1044439543 /nfs/dbraw/zinc/43/95/43/1044439543.db2.gz ITBAKPUTSAGTPA-UHFFFAOYSA-N 3 2 378.564 3.656 20 0 GHADLP C[C@H]1CC([NH+]2CCC([N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)C[C@H](C)C1 ZINC001258171819 1044452813 /nfs/dbraw/zinc/45/28/13/1044452813.db2.gz SXGGLBONQCFXFT-KURKYZTESA-N 2 2 379.589 3.875 20 0 GHADLP C[C@H]1CC([NH+]2CCC([N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)C[C@H](C)C1 ZINC001258171819 1044452814 /nfs/dbraw/zinc/45/28/14/1044452814.db2.gz SXGGLBONQCFXFT-KURKYZTESA-N 2 2 379.589 3.875 20 0 GHADLP CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC001258509758 1044587919 /nfs/dbraw/zinc/58/79/19/1044587919.db2.gz DZDKXRJYPZKFKH-ZEQRLZLVSA-N 2 2 379.548 3.535 20 0 GHADLP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC001258509758 1044587937 /nfs/dbraw/zinc/58/79/37/1044587937.db2.gz DZDKXRJYPZKFKH-ZEQRLZLVSA-N 2 2 379.548 3.535 20 0 GHADLP Clc1ccccc1N1CCC([NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001258542279 1044618462 /nfs/dbraw/zinc/61/84/62/1044618462.db2.gz KITFQHXLUKUJGP-PMACEKPBSA-N 2 2 396.966 3.768 20 0 GHADLP Cc1cc(N2CC[NH+](C3CCN(c4ccccc4Cl)CC3)CC2)nc(C)[nH+]1 ZINC001258544340 1044619637 /nfs/dbraw/zinc/61/96/37/1044619637.db2.gz IVOMWVOTZOQCCV-UHFFFAOYSA-N 2 2 385.943 3.538 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](C3CCN(c4ccccc4Cl)CC3)CC2)c1 ZINC001258546654 1044624714 /nfs/dbraw/zinc/62/47/14/1044624714.db2.gz UEPOYSFYHXPHNX-UHFFFAOYSA-N 2 2 386.927 3.535 20 0 GHADLP CCC[NH+]1CCC([NH2+]Cc2cncn2Cc2ccccc2Br)CC1 ZINC001258770354 1044757442 /nfs/dbraw/zinc/75/74/42/1044757442.db2.gz XGPUMERKKRYJMI-UHFFFAOYSA-N 2 2 391.357 3.658 20 0 GHADLP C[NH2+][C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2C)C1)c1cccc(Cl)c1Cl ZINC000662448923 1045142480 /nfs/dbraw/zinc/14/24/80/1045142480.db2.gz RAIAVXARJUFEHR-SUMWQHHRSA-N 2 2 381.307 3.623 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000482111422 1045208239 /nfs/dbraw/zinc/20/82/39/1045208239.db2.gz RIYGGTJCULPSGP-MJGOQNOKSA-N 3 2 384.568 3.787 20 0 GHADLP CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001298564737 1045872711 /nfs/dbraw/zinc/87/27/11/1045872711.db2.gz MJEHETIKENWGAM-CTNGQTDRSA-N 2 2 391.987 3.741 20 0 GHADLP CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001298564737 1045872725 /nfs/dbraw/zinc/87/27/25/1045872725.db2.gz MJEHETIKENWGAM-CTNGQTDRSA-N 2 2 391.987 3.741 20 0 GHADLP CC(C)C[C@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001298564737 1045872745 /nfs/dbraw/zinc/87/27/45/1045872745.db2.gz MJEHETIKENWGAM-CTNGQTDRSA-N 2 2 391.987 3.741 20 0 GHADLP CC(C)C[C@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001298564737 1045872764 /nfs/dbraw/zinc/87/27/64/1045872764.db2.gz MJEHETIKENWGAM-CTNGQTDRSA-N 2 2 391.987 3.741 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000371281728 1046234802 /nfs/dbraw/zinc/23/48/02/1046234802.db2.gz DEOPSOJPSPUCFA-KGLIPLIRSA-N 2 2 396.413 3.666 20 0 GHADLP CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCCC[N@@H+]3Cc3ccccc3)n2C)CC1 ZINC001262885608 1046400999 /nfs/dbraw/zinc/40/09/99/1046400999.db2.gz ZBRPEQWXEYTQTJ-NRFANRHFSA-N 2 2 396.583 3.509 20 0 GHADLP CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCCC[N@H+]3Cc3ccccc3)n2C)CC1 ZINC001262885608 1046401012 /nfs/dbraw/zinc/40/10/12/1046401012.db2.gz ZBRPEQWXEYTQTJ-NRFANRHFSA-N 2 2 396.583 3.509 20 0 GHADLP Cc1c2occ(CC(=O)Nc3cc(N4CC[NH+](C)CC4)cc[nH+]3)c2ccc1Cl ZINC001302318299 1046908242 /nfs/dbraw/zinc/90/82/42/1046908242.db2.gz NFAZEDQQKDNQAI-UHFFFAOYSA-N 2 2 398.894 3.723 20 0 GHADLP O=c1cccc(C[NH+]2CC3(C2)CC[NH+](Cc2cc(Cl)ccc2F)CC3)[nH]1 ZINC001279383750 1047787696 /nfs/dbraw/zinc/78/76/96/1047787696.db2.gz APHAWCLHNYAXCJ-UHFFFAOYSA-N 2 2 375.875 3.678 20 0 GHADLP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1c(Cl)ccc(F)c1Cl)CC2 ZINC001279662994 1047904195 /nfs/dbraw/zinc/90/41/95/1047904195.db2.gz YPPMDYCWSNUJKN-UHFFFAOYSA-N 2 2 388.358 3.982 20 0 GHADLP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1c(Cl)ccc(F)c1Cl)CC2 ZINC001279662994 1047904196 /nfs/dbraw/zinc/90/41/96/1047904196.db2.gz YPPMDYCWSNUJKN-UHFFFAOYSA-N 2 2 388.358 3.982 20 0 GHADLP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2nsnc2c1 ZINC001279691140 1047916767 /nfs/dbraw/zinc/91/67/67/1047916767.db2.gz GYKWMTUPAJTULK-MQVJKMGUSA-N 2 2 385.562 3.741 20 0 GHADLP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2nsnc2c1 ZINC001279691140 1047916772 /nfs/dbraw/zinc/91/67/72/1047916772.db2.gz GYKWMTUPAJTULK-MQVJKMGUSA-N 2 2 385.562 3.741 20 0 GHADLP CCCC[C@@H](CC)C[NH+]1CC2(C1)CC[NH+](Cc1c(N)ncnc1Cl)CC2 ZINC001279715439 1047931850 /nfs/dbraw/zinc/93/18/50/1047931850.db2.gz XXYARJDPFQVNPT-MRXNPFEDSA-N 2 2 379.980 3.826 20 0 GHADLP Cc1cc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc(C2CCC2)n1 ZINC001306987245 1048994043 /nfs/dbraw/zinc/99/40/43/1048994043.db2.gz ULPSETFJLJAFLL-UHFFFAOYSA-N 2 2 385.600 3.685 20 0 GHADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001307724310 1049537429 /nfs/dbraw/zinc/53/74/29/1049537429.db2.gz GPOUMUMNQCPJKY-HNNXBMFYSA-N 2 2 376.438 3.667 20 0 GHADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001307724310 1049537441 /nfs/dbraw/zinc/53/74/41/1049537441.db2.gz GPOUMUMNQCPJKY-HNNXBMFYSA-N 2 2 376.438 3.667 20 0 GHADLP C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001307789415 1049592556 /nfs/dbraw/zinc/59/25/56/1049592556.db2.gz JMRDBAQBENFAEK-IBGZPJMESA-N 2 2 399.966 3.883 20 0 GHADLP C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001307789415 1049592562 /nfs/dbraw/zinc/59/25/62/1049592562.db2.gz JMRDBAQBENFAEK-IBGZPJMESA-N 2 2 399.966 3.883 20 0 GHADLP CSC[C@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001307801129 1049599823 /nfs/dbraw/zinc/59/98/23/1049599823.db2.gz XXOIAPRXCLCSAP-SFHVURJKSA-N 2 2 382.017 3.927 20 0 GHADLP CSC[C@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001307801129 1049599834 /nfs/dbraw/zinc/59/98/34/1049599834.db2.gz XXOIAPRXCLCSAP-SFHVURJKSA-N 2 2 382.017 3.927 20 0 GHADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001308052771 1049800664 /nfs/dbraw/zinc/80/06/64/1049800664.db2.gz MLTAOURYVHQZRS-GOTSBHOMSA-N 2 2 393.531 3.763 20 0 GHADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001308052771 1049800675 /nfs/dbraw/zinc/80/06/75/1049800675.db2.gz MLTAOURYVHQZRS-GOTSBHOMSA-N 2 2 393.531 3.763 20 0 GHADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001308052771 1049800685 /nfs/dbraw/zinc/80/06/85/1049800685.db2.gz MLTAOURYVHQZRS-GOTSBHOMSA-N 2 2 393.531 3.763 20 0 GHADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001308052771 1049800696 /nfs/dbraw/zinc/80/06/96/1049800696.db2.gz MLTAOURYVHQZRS-GOTSBHOMSA-N 2 2 393.531 3.763 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(Cl)cc2c1OCC2 ZINC001308105389 1049852031 /nfs/dbraw/zinc/85/20/31/1049852031.db2.gz XKJPAFHPEOMUAJ-INIZCTEOSA-N 2 2 386.923 3.958 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]CC(C)(C)c2ccc(Br)cc2)C[C@H](C)O1 ZINC001308188801 1049905904 /nfs/dbraw/zinc/90/59/04/1049905904.db2.gz LJLGXODTBDBQJQ-IYBDPMFKSA-N 2 2 383.374 3.816 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]CC(C)(C)c2ccc(Br)cc2)C[C@H](C)O1 ZINC001308188801 1049905907 /nfs/dbraw/zinc/90/59/07/1049905907.db2.gz LJLGXODTBDBQJQ-IYBDPMFKSA-N 2 2 383.374 3.816 20 0 GHADLP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001290803489 1049927587 /nfs/dbraw/zinc/92/75/87/1049927587.db2.gz MCAOMBJSOSPYHC-BDTNDASRSA-N 2 2 392.547 3.833 20 0 GHADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001290803489 1049927590 /nfs/dbraw/zinc/92/75/90/1049927590.db2.gz MCAOMBJSOSPYHC-BDTNDASRSA-N 2 2 392.547 3.833 20 0 GHADLP CC1(C)[C@H]([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)[C@H]2CCO[C@H]21 ZINC001308279643 1049935185 /nfs/dbraw/zinc/93/51/85/1049935185.db2.gz BPMOOHRNDIAMGB-ATZDWAIDSA-N 2 2 375.900 3.519 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC001308351465 1049955938 /nfs/dbraw/zinc/95/59/38/1049955938.db2.gz SIFGKTJHZDFJPF-VQTJNVASSA-N 2 2 399.966 3.627 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)C[N@H+]1Cc1ccccc1 ZINC001308351465 1049955939 /nfs/dbraw/zinc/95/59/39/1049955939.db2.gz SIFGKTJHZDFJPF-VQTJNVASSA-N 2 2 399.966 3.627 20 0 GHADLP Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001308598382 1050026110 /nfs/dbraw/zinc/02/61/10/1050026110.db2.gz OUAGNAQJILBYHZ-NFBKMPQASA-N 2 2 381.568 3.890 20 0 GHADLP Cn1cnnc1[C@H]1CCC[N@H+]1C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001308598382 1050026115 /nfs/dbraw/zinc/02/61/15/1050026115.db2.gz OUAGNAQJILBYHZ-NFBKMPQASA-N 2 2 381.568 3.890 20 0 GHADLP Cn1cnnc1[C@H]1CCC[NH+]1C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001308598382 1050026120 /nfs/dbraw/zinc/02/61/20/1050026120.db2.gz OUAGNAQJILBYHZ-NFBKMPQASA-N 2 2 381.568 3.890 20 0 GHADLP Cn1cnnc1[C@H]1CCC[NH+]1C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001308598382 1050026126 /nfs/dbraw/zinc/02/61/26/1050026126.db2.gz OUAGNAQJILBYHZ-NFBKMPQASA-N 2 2 381.568 3.890 20 0 GHADLP O[C@H](C[NH2+]CC1CCC(c2ccccc2)CC1)C[N@@H+]1CCc2ccccc2C1 ZINC001308777735 1050090309 /nfs/dbraw/zinc/09/03/09/1050090309.db2.gz OCEYLXVQAIVEIX-BNVTUTKDSA-N 2 2 378.560 3.969 20 0 GHADLP O[C@H](C[NH2+]CC1CCC(c2ccccc2)CC1)C[N@H+]1CCc2ccccc2C1 ZINC001308777735 1050090313 /nfs/dbraw/zinc/09/03/13/1050090313.db2.gz OCEYLXVQAIVEIX-BNVTUTKDSA-N 2 2 378.560 3.969 20 0 GHADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cc(Oc3cccc(Cl)c3)ccn2)CC1 ZINC001308966682 1050229297 /nfs/dbraw/zinc/22/92/97/1050229297.db2.gz YCVGJSPEYRBMIO-UHFFFAOYSA-N 2 2 389.927 3.852 20 0 GHADLP Cc1ccc2[nH+]c(CSCc3nnc(CC[NH+]4CCC(C)CC4)o3)cn2c1 ZINC001327902540 1050321175 /nfs/dbraw/zinc/32/11/75/1050321175.db2.gz WAUNLHPRMWCYKC-UHFFFAOYSA-N 2 2 385.537 3.734 20 0 GHADLP CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001327973176 1050341579 /nfs/dbraw/zinc/34/15/79/1050341579.db2.gz SXULHNZIQLPWNR-AWEZNQCLSA-N 2 2 387.484 3.550 20 0 GHADLP CC[C@H]1[C@@H](C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)CCN1C(=O)OC(C)(C)C ZINC001330127182 1050962273 /nfs/dbraw/zinc/96/22/73/1050962273.db2.gz KWTNDIYYVPNTRX-RDJZCZTQSA-N 2 2 399.495 3.550 20 0 GHADLP CC[NH+](CC)C1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC001335866717 1052193275 /nfs/dbraw/zinc/19/32/75/1052193275.db2.gz MXBFYSZTQBJJQM-UHFFFAOYSA-N 2 2 393.535 3.940 20 0 GHADLP CCNc1cc(CNC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)cc[nH+]1 ZINC001313321272 1053017372 /nfs/dbraw/zinc/01/73/72/1053017372.db2.gz YPZNFBDRBZSCAP-GBESFXJTSA-N 2 2 395.551 3.706 20 0 GHADLP CCNc1cc(CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)cc[nH+]1 ZINC001313321272 1053017377 /nfs/dbraw/zinc/01/73/77/1053017377.db2.gz YPZNFBDRBZSCAP-GBESFXJTSA-N 2 2 395.551 3.706 20 0 GHADLP C[NH+](C)CC1CC[NH+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)CC1 ZINC001318420655 1054627671 /nfs/dbraw/zinc/62/76/71/1054627671.db2.gz BEQPVCJTEXCVPQ-UHFFFAOYSA-N 2 2 391.865 3.509 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC001319733322 1055433818 /nfs/dbraw/zinc/43/38/18/1055433818.db2.gz SXTYSTXAJZPZGI-UHFFFAOYSA-N 2 2 378.432 3.783 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC001320180765 1055695005 /nfs/dbraw/zinc/69/50/05/1055695005.db2.gz BRZLTZMQAITNAQ-INIZCTEOSA-N 2 2 385.512 3.617 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC001320180765 1055695011 /nfs/dbraw/zinc/69/50/11/1055695011.db2.gz BRZLTZMQAITNAQ-INIZCTEOSA-N 2 2 385.512 3.617 20 0 GHADLP C[C@@H](C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[NH+]1[C@H](C)CC[C@H]1C ZINC001320627610 1055907850 /nfs/dbraw/zinc/90/78/50/1055907850.db2.gz CUHCKZGMSAHPPT-ZACQAIPSSA-N 2 2 383.540 3.749 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001321083477 1056086920 /nfs/dbraw/zinc/08/69/20/1056086920.db2.gz DXJGZDNTGDDYJM-OAQYLSRUSA-N 2 2 377.536 3.736 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001321083477 1056086934 /nfs/dbraw/zinc/08/69/34/1056086934.db2.gz DXJGZDNTGDDYJM-OAQYLSRUSA-N 2 2 377.536 3.736 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cc(C)c(C(=O)OC)o1 ZINC001474762806 1056405194 /nfs/dbraw/zinc/40/51/94/1056405194.db2.gz QFPCAPDRKFYETC-UHFFFAOYSA-N 2 2 384.480 3.678 20 0 GHADLP Cc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(Br)s1 ZINC001323876429 1057026289 /nfs/dbraw/zinc/02/62/89/1057026289.db2.gz NFSHJUWRNUATED-UHFFFAOYSA-N 2 2 377.267 3.960 20 0 GHADLP COc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(Br)c1 ZINC001323964960 1057045308 /nfs/dbraw/zinc/04/53/08/1057045308.db2.gz NKMWEENXATXGCT-CQSZACIVSA-N 2 2 378.314 3.646 20 0 GHADLP COc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(Br)c1 ZINC001323964960 1057045312 /nfs/dbraw/zinc/04/53/12/1057045312.db2.gz NKMWEENXATXGCT-CQSZACIVSA-N 2 2 378.314 3.646 20 0 GHADLP Brc1ccc(-c2cnn(C[NH+]3CCC(n4cc[nH+]c4)CC3)c2)cc1 ZINC000848478733 1057116285 /nfs/dbraw/zinc/11/62/85/1057116285.db2.gz MQJKFESSUAMHTO-UHFFFAOYSA-N 2 2 386.297 3.804 20 0 GHADLP C[C@@H](C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC001324472478 1057142644 /nfs/dbraw/zinc/14/26/44/1057142644.db2.gz KVZSJIIVMSNICT-GHTZIAJQSA-N 2 2 380.536 3.593 20 0 GHADLP CC(C)OC(=O)C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(C)C ZINC000848927866 1057427278 /nfs/dbraw/zinc/42/72/78/1057427278.db2.gz PIWIODQGEDAZMU-OAQYLSRUSA-N 2 2 375.557 3.677 20 0 GHADLP C[C@H](NC(=[NH2+])NCCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1Cl ZINC000849069548 1057580296 /nfs/dbraw/zinc/58/02/96/1057580296.db2.gz QJVDFFFFNFRAHE-LBPRGKRZSA-N 2 2 380.323 3.944 20 0 GHADLP Brc1ccc2c(cc[nH+]c2N2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001338285719 1058496949 /nfs/dbraw/zinc/49/69/49/1058496949.db2.gz WSMQOBFJIRGPGX-UHFFFAOYSA-N 2 2 390.325 3.735 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccc(C)c(Br)c1 ZINC001338649068 1058709281 /nfs/dbraw/zinc/70/92/81/1058709281.db2.gz JLJYFERPEBHFQK-UHFFFAOYSA-N 2 2 385.265 3.828 20 0 GHADLP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001341257278 1060532196 /nfs/dbraw/zinc/53/21/96/1060532196.db2.gz MFMITYDYSPJWQW-CTNGQTDRSA-N 2 2 399.579 3.720 20 0 GHADLP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001341257278 1060532217 /nfs/dbraw/zinc/53/22/17/1060532217.db2.gz MFMITYDYSPJWQW-CTNGQTDRSA-N 2 2 399.579 3.720 20 0 GHADLP CC(C)[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC001453496531 1061143598 /nfs/dbraw/zinc/14/35/98/1061143598.db2.gz MVYQBZVRIBGNOH-FQEVSTJZSA-N 2 2 385.577 3.792 20 0 GHADLP CC(C)[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001453496531 1061143606 /nfs/dbraw/zinc/14/36/06/1061143606.db2.gz MVYQBZVRIBGNOH-FQEVSTJZSA-N 2 2 385.577 3.792 20 0 GHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001349793390 1063913436 /nfs/dbraw/zinc/91/34/36/1063913436.db2.gz LLYQOZCIPHJBEJ-IBGZPJMESA-N 2 2 385.508 3.816 20 0 GHADLP CC1=C(C)C[C@H](C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001458871790 1063953147 /nfs/dbraw/zinc/95/31/47/1063953147.db2.gz DBXJYSSKURZSEY-HJNYFJLDSA-N 2 2 375.601 3.919 20 0 GHADLP CC1=C(C)C[C@H](C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001458871790 1063953149 /nfs/dbraw/zinc/95/31/49/1063953149.db2.gz DBXJYSSKURZSEY-HJNYFJLDSA-N 2 2 375.601 3.919 20 0 GHADLP COc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC(C)C ZINC001459854298 1064243779 /nfs/dbraw/zinc/24/37/79/1064243779.db2.gz SFRXNBAYZSCORT-NTKDMRAZSA-N 2 2 398.547 3.770 20 0 GHADLP COc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC(C)C ZINC001459854298 1064243789 /nfs/dbraw/zinc/24/37/89/1064243789.db2.gz SFRXNBAYZSCORT-NTKDMRAZSA-N 2 2 398.547 3.770 20 0 GHADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC001200046978 1065069392 /nfs/dbraw/zinc/06/93/92/1065069392.db2.gz YLOYWUQSFWKLJU-HXUWFJFHSA-N 2 2 395.444 3.923 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1scc(Br)c1C ZINC001465206392 1065461086 /nfs/dbraw/zinc/46/10/86/1065461086.db2.gz HTMYDCJKPYPSRZ-UHFFFAOYSA-N 2 2 377.267 3.960 20 0 GHADLP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001465535908 1065697076 /nfs/dbraw/zinc/69/70/76/1065697076.db2.gz BDJSBFDYMHDTPM-LEWJYISDSA-N 2 2 389.971 3.685 20 0 GHADLP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001465535908 1065697082 /nfs/dbraw/zinc/69/70/82/1065697082.db2.gz BDJSBFDYMHDTPM-LEWJYISDSA-N 2 2 389.971 3.685 20 0 GHADLP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001465535908 1065697088 /nfs/dbraw/zinc/69/70/88/1065697088.db2.gz BDJSBFDYMHDTPM-LEWJYISDSA-N 2 2 389.971 3.685 20 0 GHADLP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001465535908 1065697095 /nfs/dbraw/zinc/69/70/95/1065697095.db2.gz BDJSBFDYMHDTPM-LEWJYISDSA-N 2 2 389.971 3.685 20 0 GHADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]([NH3+])[C@H](C)OCc3ccccc3)cc2)[nH+]c1C ZINC001353148358 1065707121 /nfs/dbraw/zinc/70/71/21/1065707121.db2.gz ZRKDQOKJPUPRGU-OXJNMPFZSA-N 2 2 378.476 3.565 20 0 GHADLP Cc1cc(Br)c(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC001200365286 1065993183 /nfs/dbraw/zinc/99/31/83/1065993183.db2.gz IFBCBHOXDUPYAB-GFCCVEGCSA-N 2 2 390.163 3.951 20 0 GHADLP Cc1cc(Br)c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1Br ZINC001200365286 1065993188 /nfs/dbraw/zinc/99/31/88/1065993188.db2.gz IFBCBHOXDUPYAB-GFCCVEGCSA-N 2 2 390.163 3.951 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001470008168 1068518399 /nfs/dbraw/zinc/51/83/99/1068518399.db2.gz UIHLILSQONMNLJ-UHFFFAOYSA-N 2 2 391.600 3.601 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001470008168 1068518406 /nfs/dbraw/zinc/51/84/06/1068518406.db2.gz UIHLILSQONMNLJ-UHFFFAOYSA-N 2 2 391.600 3.601 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC001470008166 1068518465 /nfs/dbraw/zinc/51/84/65/1068518465.db2.gz UGVPNKXKWQJSLQ-ZRDIBKRKSA-N 2 2 389.540 3.567 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC001470008166 1068518475 /nfs/dbraw/zinc/51/84/75/1068518475.db2.gz UGVPNKXKWQJSLQ-ZRDIBKRKSA-N 2 2 389.540 3.567 20 0 GHADLP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001470177752 1068612343 /nfs/dbraw/zinc/61/23/43/1068612343.db2.gz UGTBHKDPVYQQPS-FCHUYYIVSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001470177752 1068612345 /nfs/dbraw/zinc/61/23/45/1068612345.db2.gz UGTBHKDPVYQQPS-FCHUYYIVSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001470177752 1068612348 /nfs/dbraw/zinc/61/23/48/1068612348.db2.gz UGTBHKDPVYQQPS-FCHUYYIVSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001470177752 1068612352 /nfs/dbraw/zinc/61/23/52/1068612352.db2.gz UGTBHKDPVYQQPS-FCHUYYIVSA-N 2 2 387.543 3.703 20 0 GHADLP CO[C@@H]1[C@H](C)[C@H]([NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1(C)C ZINC001460128798 1068797597 /nfs/dbraw/zinc/79/75/97/1068797597.db2.gz SCTBJNVGBRQEJO-LSTHTHJFSA-N 2 2 379.976 3.501 20 0 GHADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccc(Oc4cccc(Cl)c4)cc3)C[C@@H]2C1 ZINC001460601355 1069018071 /nfs/dbraw/zinc/01/80/71/1069018071.db2.gz DEOGMIWBGKGFRQ-SJORKVTESA-N 2 2 399.922 3.954 20 0 GHADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccc(Oc4cccc(Cl)c4)cc3)C[C@@H]2C1 ZINC001460601355 1069018084 /nfs/dbraw/zinc/01/80/84/1069018084.db2.gz DEOGMIWBGKGFRQ-SJORKVTESA-N 2 2 399.922 3.954 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Oc4cccc(Cl)c4)cc3)C[C@@H]2C1 ZINC001460601355 1069018096 /nfs/dbraw/zinc/01/80/96/1069018096.db2.gz DEOGMIWBGKGFRQ-SJORKVTESA-N 2 2 399.922 3.954 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Oc4cccc(Cl)c4)cc3)C[C@@H]2C1 ZINC001460601355 1069018105 /nfs/dbraw/zinc/01/81/05/1069018105.db2.gz DEOGMIWBGKGFRQ-SJORKVTESA-N 2 2 399.922 3.954 20 0 GHADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)[nH+]c1C ZINC001460785233 1069177131 /nfs/dbraw/zinc/17/71/31/1069177131.db2.gz HMKLMFKPHQYYKV-UHFFFAOYSA-N 2 2 396.413 3.743 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[NH2+]C3([C@@H]4CCCCO4)CC3)CC2)cc1 ZINC001460825616 1069203921 /nfs/dbraw/zinc/20/39/21/1069203921.db2.gz BQZRCGJKHLHIGK-FQEVSTJZSA-N 2 2 377.960 3.543 20 0 GHADLP CNc1cc(CNC(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)cc[nH+]1 ZINC001471605872 1073156727 /nfs/dbraw/zinc/15/67/27/1073156727.db2.gz UVMUFGSFOSJHQX-YLJYHZDGSA-N 2 2 383.540 3.688 20 0 GHADLP C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001473525849 1074001219 /nfs/dbraw/zinc/00/12/19/1074001219.db2.gz ILHDQXDYNBOCBG-ACIOBRDBSA-N 2 2 382.548 3.657 20 0 GHADLP C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001473525849 1074001228 /nfs/dbraw/zinc/00/12/28/1074001228.db2.gz ILHDQXDYNBOCBG-ACIOBRDBSA-N 2 2 382.548 3.657 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001473525849 1074001240 /nfs/dbraw/zinc/00/12/40/1074001240.db2.gz ILHDQXDYNBOCBG-ACIOBRDBSA-N 2 2 382.548 3.657 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001473525849 1074001251 /nfs/dbraw/zinc/00/12/51/1074001251.db2.gz ILHDQXDYNBOCBG-ACIOBRDBSA-N 2 2 382.548 3.657 20 0 GHADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001473651236 1074068336 /nfs/dbraw/zinc/06/83/36/1074068336.db2.gz LVSYPCMNPZKTAQ-HOTGVXAUSA-N 2 2 395.510 3.743 20 0 GHADLP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001473651236 1074068342 /nfs/dbraw/zinc/06/83/42/1074068342.db2.gz LVSYPCMNPZKTAQ-HOTGVXAUSA-N 2 2 395.510 3.743 20 0 GHADLP CC1(C)C[C@H]([NH2+]CCNC(=O)c2ccccc2Cl)C[N@@H+]1Cc1ccccc1 ZINC001474000088 1074231075 /nfs/dbraw/zinc/23/10/75/1074231075.db2.gz RRVIGKMCTWTKMX-SFHVURJKSA-N 2 2 385.939 3.713 20 0 GHADLP CC1(C)C[C@H]([NH2+]CCNC(=O)c2ccccc2Cl)C[N@H+]1Cc1ccccc1 ZINC001474000088 1074231080 /nfs/dbraw/zinc/23/10/80/1074231080.db2.gz RRVIGKMCTWTKMX-SFHVURJKSA-N 2 2 385.939 3.713 20 0 GHADLP Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)cc1 ZINC001656091835 1126256578 /nfs/dbraw/zinc/25/65/78/1126256578.db2.gz ZDNYTADHQUCJOS-HXUWFJFHSA-N 2 2 399.922 3.617 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCCC1)c1ccccc1 ZINC000736131121 598886742 /nfs/dbraw/zinc/88/67/42/598886742.db2.gz JIGVSEJCLAWXEW-KRWDZBQOSA-N 2 2 376.508 3.620 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000826284103 607531323 /nfs/dbraw/zinc/53/13/23/607531323.db2.gz KIPKJTXGPNEHMN-DYESRHJHSA-N 2 2 387.491 3.772 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000824532476 609147103 /nfs/dbraw/zinc/14/71/03/609147103.db2.gz UTBQBBHXGOKDDL-ZIAGYGMSSA-N 2 2 377.427 3.603 20 0 GHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000826307554 609328802 /nfs/dbraw/zinc/32/88/02/609328802.db2.gz MPODASGXUBHMGJ-INIZCTEOSA-N 2 2 394.498 3.629 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000824941616 609425310 /nfs/dbraw/zinc/42/53/10/609425310.db2.gz YYBCAIQLYCFXGV-SJORKVTESA-N 2 2 391.523 3.506 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000824941616 609425311 /nfs/dbraw/zinc/42/53/11/609425311.db2.gz YYBCAIQLYCFXGV-SJORKVTESA-N 2 2 391.523 3.506 20 0 GHADLP COc1ccc2cc[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2c1 ZINC001164863554 720985761 /nfs/dbraw/zinc/98/57/61/720985761.db2.gz WGJIGCIZESGBHB-INIZCTEOSA-N 2 2 379.508 3.861 20 0 GHADLP COc1ccc2cc[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c2c1 ZINC001164863554 720985779 /nfs/dbraw/zinc/98/57/79/720985779.db2.gz WGJIGCIZESGBHB-INIZCTEOSA-N 2 2 379.508 3.861 20 0 GHADLP COc1ccc2c(cc[nH+]c2N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164901422 721522396 /nfs/dbraw/zinc/52/23/96/721522396.db2.gz XEFRHZDZBBMROR-WIYYLYMNSA-N 2 2 393.462 3.724 20 0 GHADLP COc1ccc2c(cc[nH+]c2N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164901422 721522397 /nfs/dbraw/zinc/52/23/97/721522397.db2.gz XEFRHZDZBBMROR-WIYYLYMNSA-N 2 2 393.462 3.724 20 0 GHADLP COc1ccc(C)[nH+]c1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906682 721702348 /nfs/dbraw/zinc/70/23/48/721702348.db2.gz OLWSHXKHVTWBNU-FQEVSTJZSA-N 2 2 388.462 3.531 20 0 GHADLP COc1ccc(C)[nH+]c1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906682 721702351 /nfs/dbraw/zinc/70/23/51/721702351.db2.gz OLWSHXKHVTWBNU-FQEVSTJZSA-N 2 2 388.462 3.531 20 0 GHADLP c1ccc(CC[NH+]2CCN(c3[nH+]c(N4CCCC4)cc4ccccc43)CC2)nc1 ZINC001165056142 722018317 /nfs/dbraw/zinc/01/83/17/722018317.db2.gz XEUSELZQSYQODA-UHFFFAOYSA-N 2 2 387.531 3.595 20 0 GHADLP c1ccc2cc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)[nH+]cc2c1 ZINC001164960541 722053678 /nfs/dbraw/zinc/05/36/78/722053678.db2.gz RVBLFCJGWLUTFU-UHFFFAOYSA-N 2 2 388.515 3.749 20 0 GHADLP c1ccc2cc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)[nH+]cc2c1 ZINC001164960541 722053680 /nfs/dbraw/zinc/05/36/80/722053680.db2.gz RVBLFCJGWLUTFU-UHFFFAOYSA-N 2 2 388.515 3.749 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414083297 837410925 /nfs/dbraw/zinc/41/09/25/837410925.db2.gz WBMFENXGEBDIHV-IHPCNDPISA-N 2 2 377.960 3.508 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414083297 837410930 /nfs/dbraw/zinc/41/09/30/837410930.db2.gz WBMFENXGEBDIHV-IHPCNDPISA-N 2 2 377.960 3.508 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(OC)ccc2Br)[C@H](C)C1 ZINC000163130410 837512777 /nfs/dbraw/zinc/51/27/77/837512777.db2.gz UNQOKKUSAPJVKU-DNVCBOLYSA-N 2 2 399.373 3.684 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(OC)ccc2Br)[C@H](C)C1 ZINC000163130410 837512784 /nfs/dbraw/zinc/51/27/84/837512784.db2.gz UNQOKKUSAPJVKU-DNVCBOLYSA-N 2 2 399.373 3.684 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548798020 834551391 /nfs/dbraw/zinc/55/13/91/834551391.db2.gz GZLQJMJUKOETGO-UTKZUKDTSA-N 2 2 396.535 3.825 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548798020 834551402 /nfs/dbraw/zinc/55/14/02/834551402.db2.gz GZLQJMJUKOETGO-UTKZUKDTSA-N 2 2 396.535 3.825 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000655744064 837803107 /nfs/dbraw/zinc/80/31/07/837803107.db2.gz NXBYCANUJOHJBJ-CXAGYDPISA-N 2 2 377.330 3.516 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000655744064 837803119 /nfs/dbraw/zinc/80/31/19/837803119.db2.gz NXBYCANUJOHJBJ-CXAGYDPISA-N 2 2 377.330 3.516 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000172531448 834755468 /nfs/dbraw/zinc/75/54/68/834755468.db2.gz VXXOUAFUKQAZKI-RTBURBONSA-N 2 2 384.593 3.801 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431849527 837807048 /nfs/dbraw/zinc/80/70/48/837807048.db2.gz RXYAMTJTNXYDHS-JOCHJYFZSA-N 2 2 398.595 3.944 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431849527 837807070 /nfs/dbraw/zinc/80/70/70/837807070.db2.gz RXYAMTJTNXYDHS-JOCHJYFZSA-N 2 2 398.595 3.944 20 0 GHADLP O=C(CC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000044896211 834788148 /nfs/dbraw/zinc/78/81/48/834788148.db2.gz IEXWYOGLSIRDPN-HXUWFJFHSA-N 2 2 398.938 3.611 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000044896211 834788155 /nfs/dbraw/zinc/78/81/55/834788155.db2.gz IEXWYOGLSIRDPN-HXUWFJFHSA-N 2 2 398.938 3.611 20 0 GHADLP CN(C(=O)C(C)(C)Cc1ccc(Cl)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654968144 834880275 /nfs/dbraw/zinc/88/02/75/834880275.db2.gz SMQJYWBURVZXBX-FQEVSTJZSA-N 2 2 391.987 3.536 20 0 GHADLP CN(C(=O)C(C)(C)Cc1ccc(Cl)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654968144 834880286 /nfs/dbraw/zinc/88/02/86/834880286.db2.gz SMQJYWBURVZXBX-FQEVSTJZSA-N 2 2 391.987 3.536 20 0 GHADLP Cc1cc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(OC(F)F)cc1C ZINC000685457942 835023850 /nfs/dbraw/zinc/02/38/50/835023850.db2.gz UGJZGGALHXVDTI-LJQANCHMSA-N 2 2 381.511 3.505 20 0 GHADLP Cc1cc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(OC(F)F)cc1C ZINC000685457942 835023858 /nfs/dbraw/zinc/02/38/58/835023858.db2.gz UGJZGGALHXVDTI-LJQANCHMSA-N 2 2 381.511 3.505 20 0 GHADLP CC(C)Oc1ccc2ccccc2c1C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131483811 835208723 /nfs/dbraw/zinc/20/87/23/835208723.db2.gz XXSZIJDMUKEZEP-JOCHJYFZSA-N 2 2 395.547 3.541 20 0 GHADLP CC(C)Oc1ccc2ccccc2c1C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131483811 835208734 /nfs/dbraw/zinc/20/87/34/835208734.db2.gz XXSZIJDMUKEZEP-JOCHJYFZSA-N 2 2 395.547 3.541 20 0 GHADLP Brc1ccn2cc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)nc2c1 ZINC000685612905 835225111 /nfs/dbraw/zinc/22/51/11/835225111.db2.gz QBHLJDZUANQKHT-UHFFFAOYSA-N 2 2 396.292 3.631 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CSCCc4ccccc43)C2)cc1 ZINC000683229302 835321390 /nfs/dbraw/zinc/32/13/90/835321390.db2.gz BHDMFUREHBINSA-GGAORHGYSA-N 2 2 382.573 3.898 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CSCCc4ccccc43)C2)cc1 ZINC000683229302 835321396 /nfs/dbraw/zinc/32/13/96/835321396.db2.gz BHDMFUREHBINSA-GGAORHGYSA-N 2 2 382.573 3.898 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cnn1-c1cccc(Cl)c1 ZINC000658292748 835558157 /nfs/dbraw/zinc/55/81/57/835558157.db2.gz AXNKKOMYNCLZAH-QRWLVFNGSA-N 2 2 388.943 3.738 20 0 GHADLP Brc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295206 835558917 /nfs/dbraw/zinc/55/89/17/835558917.db2.gz REIWXYYXXAHULK-KXBFYZLASA-N 2 2 379.342 3.669 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCCO2 ZINC000658296011 835559906 /nfs/dbraw/zinc/55/99/06/835559906.db2.gz XHCKUZYZJHDPNE-FUHWJXTLSA-N 2 2 395.341 3.506 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3CCc4cccnc4CC3)CC2)cc1 ZINC000421822146 835591218 /nfs/dbraw/zinc/59/12/18/835591218.db2.gz VYQPEHZVBZVBLE-XMMPIXPASA-N 2 2 392.591 3.517 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc2ccncc2s1 ZINC000657849620 835928864 /nfs/dbraw/zinc/92/88/64/835928864.db2.gz KJPNERRADGLBEP-QGZVFWFLSA-N 2 2 397.544 3.858 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000548932090 836271854 /nfs/dbraw/zinc/27/18/54/836271854.db2.gz PQMSTTYFRYBNJG-HXUWFJFHSA-N 2 2 387.474 3.794 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000548932090 836271865 /nfs/dbraw/zinc/27/18/65/836271865.db2.gz PQMSTTYFRYBNJG-HXUWFJFHSA-N 2 2 387.474 3.794 20 0 GHADLP CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3cc[nH+]c4c(O)cccc34)CC2)cs1 ZINC000684575755 844146918 /nfs/dbraw/zinc/14/69/18/844146918.db2.gz HBNCXZSPIRIRCA-HNNXBMFYSA-N 2 2 398.532 3.817 20 0 GHADLP CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3cc[nH+]c4c(O)cccc34)CC2)cs1 ZINC000684575755 844146923 /nfs/dbraw/zinc/14/69/23/844146923.db2.gz HBNCXZSPIRIRCA-HNNXBMFYSA-N 2 2 398.532 3.817 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)[C@H](C)C1 ZINC000471242980 836290087 /nfs/dbraw/zinc/29/00/87/836290087.db2.gz LFBZNJIDFGYSGI-FRGLQRNOSA-N 2 2 389.559 3.835 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)[C@H](C)C1 ZINC000471242980 836290102 /nfs/dbraw/zinc/29/01/02/836290102.db2.gz LFBZNJIDFGYSGI-FRGLQRNOSA-N 2 2 389.559 3.835 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)[C@H](C)C1 ZINC000471242980 836290113 /nfs/dbraw/zinc/29/01/13/836290113.db2.gz LFBZNJIDFGYSGI-FRGLQRNOSA-N 2 2 389.559 3.835 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)[C@H](C)C1 ZINC000471242980 836290121 /nfs/dbraw/zinc/29/01/21/836290121.db2.gz LFBZNJIDFGYSGI-FRGLQRNOSA-N 2 2 389.559 3.835 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000092665326 844149350 /nfs/dbraw/zinc/14/93/50/844149350.db2.gz VCXRHHCEPRMXAM-IAGOWNOFSA-N 2 2 390.622 3.862 20 0 GHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCc2nc3c(s2)CCCC3)CC1 ZINC000513045578 844159635 /nfs/dbraw/zinc/15/96/35/844159635.db2.gz FBNCPUKUSCBIBF-UHFFFAOYSA-N 2 2 375.504 3.961 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccsc2Br)[C@@H](C)C1 ZINC000510927626 844160453 /nfs/dbraw/zinc/16/04/53/844160453.db2.gz IZVNXVXRPYTUDL-DZGCQCFKSA-N 2 2 375.376 3.737 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccsc2Br)[C@@H](C)C1 ZINC000510927626 844160457 /nfs/dbraw/zinc/16/04/57/844160457.db2.gz IZVNXVXRPYTUDL-DZGCQCFKSA-N 2 2 375.376 3.737 20 0 GHADLP C[C@H](CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCC[C@H]1C ZINC000511381766 836814218 /nfs/dbraw/zinc/81/42/18/836814218.db2.gz UHWBMEBOKUUHNF-SGLNWRHMSA-N 2 2 379.976 3.564 20 0 GHADLP C[C@H](CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCC[C@H]1C ZINC000511381766 836814231 /nfs/dbraw/zinc/81/42/31/836814231.db2.gz UHWBMEBOKUUHNF-SGLNWRHMSA-N 2 2 379.976 3.564 20 0 GHADLP C[C@H](CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCCC[C@H]1C ZINC000511381766 836814240 /nfs/dbraw/zinc/81/42/40/836814240.db2.gz UHWBMEBOKUUHNF-SGLNWRHMSA-N 2 2 379.976 3.564 20 0 GHADLP C[C@H](CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1)[N@H+]1CCCC[C@H]1C ZINC000511381766 836814247 /nfs/dbraw/zinc/81/42/47/836814247.db2.gz UHWBMEBOKUUHNF-SGLNWRHMSA-N 2 2 379.976 3.564 20 0 GHADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543988254 836906794 /nfs/dbraw/zinc/90/67/94/836906794.db2.gz HVMKZLBXQSEESK-UHFFFAOYSA-N 2 2 394.972 3.749 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000472486661 837101270 /nfs/dbraw/zinc/10/12/70/837101270.db2.gz QZMPXGWVNKFIKF-IRFCIJBXSA-N 2 2 397.607 3.795 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000472486661 837101277 /nfs/dbraw/zinc/10/12/77/837101277.db2.gz QZMPXGWVNKFIKF-IRFCIJBXSA-N 2 2 397.607 3.795 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000472486661 837101280 /nfs/dbraw/zinc/10/12/80/837101280.db2.gz QZMPXGWVNKFIKF-IRFCIJBXSA-N 2 2 397.607 3.795 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000472486661 837101289 /nfs/dbraw/zinc/10/12/89/837101289.db2.gz QZMPXGWVNKFIKF-IRFCIJBXSA-N 2 2 397.607 3.795 20 0 GHADLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4cc(Cl)cc(Cl)c43)cn2)CC1 ZINC000134306963 837232670 /nfs/dbraw/zinc/23/26/70/837232670.db2.gz RDYHODDNGKTDFF-GOSISDBHSA-N 2 2 391.346 3.917 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377763826 837940434 /nfs/dbraw/zinc/94/04/34/837940434.db2.gz QGKYGGZSXXTBSR-JRGCBEDISA-N 2 2 389.503 3.647 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377763826 837940467 /nfs/dbraw/zinc/94/04/67/837940467.db2.gz QGKYGGZSXXTBSR-JRGCBEDISA-N 2 2 389.503 3.647 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377763826 837940472 /nfs/dbraw/zinc/94/04/72/837940472.db2.gz QGKYGGZSXXTBSR-JRGCBEDISA-N 2 2 389.503 3.647 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377763826 837940475 /nfs/dbraw/zinc/94/04/75/837940475.db2.gz QGKYGGZSXXTBSR-JRGCBEDISA-N 2 2 389.503 3.647 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1OCc1ccncc1 ZINC000655856340 838074830 /nfs/dbraw/zinc/07/48/30/838074830.db2.gz MUWMTXSUSVRXKT-RTWAWAEBSA-N 2 2 381.520 3.776 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1OCc1ccncc1 ZINC000655856340 838074853 /nfs/dbraw/zinc/07/48/53/838074853.db2.gz MUWMTXSUSVRXKT-RTWAWAEBSA-N 2 2 381.520 3.776 20 0 GHADLP CC[N@@H+](Cc1cc(C(=O)OC)ccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000181960346 838304458 /nfs/dbraw/zinc/30/44/58/838304458.db2.gz VHZIACZHTSGJJE-UHFFFAOYSA-N 2 2 385.483 3.746 20 0 GHADLP CC[N@H+](Cc1cc(C(=O)OC)ccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000181960346 838304465 /nfs/dbraw/zinc/30/44/65/838304465.db2.gz VHZIACZHTSGJJE-UHFFFAOYSA-N 2 2 385.483 3.746 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000415962595 838322166 /nfs/dbraw/zinc/32/21/66/838322166.db2.gz UALSXVNMLMMJLE-IEBWSBKVSA-N 2 2 392.425 3.520 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000415962595 838322175 /nfs/dbraw/zinc/32/21/75/838322175.db2.gz UALSXVNMLMMJLE-IEBWSBKVSA-N 2 2 392.425 3.520 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)c1C ZINC000415966485 838333937 /nfs/dbraw/zinc/33/39/37/838333937.db2.gz GPKKMYMYWIFGJN-UHFFFAOYSA-N 2 2 396.413 3.848 20 0 GHADLP COc1cc2ccccc2cc1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000580034304 838545905 /nfs/dbraw/zinc/54/59/05/838545905.db2.gz ZTYHIFCULKDEIH-DEOSSOPVSA-N 2 2 389.543 3.927 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc2ccccc2o1 ZINC000181776439 838636214 /nfs/dbraw/zinc/63/62/14/838636214.db2.gz VJPNVNJROBOSPU-QGZVFWFLSA-N 2 2 393.487 3.554 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000580128356 838924530 /nfs/dbraw/zinc/92/45/30/838924530.db2.gz DJQSHCZRTIQMNO-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000580128356 838924537 /nfs/dbraw/zinc/92/45/37/838924537.db2.gz DJQSHCZRTIQMNO-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549146594 839019125 /nfs/dbraw/zinc/01/91/25/839019125.db2.gz TVLXNNNDQKEVMG-IGKWTDBASA-N 2 2 380.532 3.679 20 0 GHADLP C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378491799 839215916 /nfs/dbraw/zinc/21/59/16/839215916.db2.gz GWHNWDLALJIAPJ-XXBNENTESA-N 2 2 388.515 3.572 20 0 GHADLP C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378491799 839215930 /nfs/dbraw/zinc/21/59/30/839215930.db2.gz GWHNWDLALJIAPJ-XXBNENTESA-N 2 2 388.515 3.572 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000683896699 839353585 /nfs/dbraw/zinc/35/35/85/839353585.db2.gz RQTXBWLRZHHSAA-IAGOWNOFSA-N 2 2 385.483 3.638 20 0 GHADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)c2ccccc21 ZINC000549236456 839435973 /nfs/dbraw/zinc/43/59/73/839435973.db2.gz AQTQGFXZQHVCGP-LEWJYISDSA-N 2 2 388.552 3.647 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000510329154 839564143 /nfs/dbraw/zinc/56/41/43/839564143.db2.gz LAEIKKIJSZZOSQ-IBGZPJMESA-N 2 2 380.517 3.809 20 0 GHADLP CC(C)[C@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[NH+]1CCCCC1 ZINC000580463007 839598808 /nfs/dbraw/zinc/59/88/08/839598808.db2.gz YPPBCIPABZDEOA-RBBKRZOGSA-N 2 2 383.536 3.737 20 0 GHADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000580487062 839654064 /nfs/dbraw/zinc/65/40/64/839654064.db2.gz DZNJGFXQBNVIAG-QYZOEREBSA-N 2 2 390.572 3.538 20 0 GHADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000580487062 839654067 /nfs/dbraw/zinc/65/40/67/839654067.db2.gz DZNJGFXQBNVIAG-QYZOEREBSA-N 2 2 390.572 3.538 20 0 GHADLP CCCCc1ccc(NC(=S)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050254814 839657130 /nfs/dbraw/zinc/65/71/30/839657130.db2.gz AZOSHLWDGUFJKT-UHFFFAOYSA-N 2 2 388.625 3.874 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ncc(C3OCCO3)s2)CC1 ZINC000377541285 839694894 /nfs/dbraw/zinc/69/48/94/839694894.db2.gz LSYUAFGZSDNESE-MRXNPFEDSA-N 2 2 379.570 3.665 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ncc(C3OCCO3)s2)CC1 ZINC000377541285 839694900 /nfs/dbraw/zinc/69/49/00/839694900.db2.gz LSYUAFGZSDNESE-MRXNPFEDSA-N 2 2 379.570 3.665 20 0 GHADLP COCC[NH2+]C1CC[NH+](Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 ZINC000580572179 839825818 /nfs/dbraw/zinc/82/58/18/839825818.db2.gz SLCZFILRNUOECT-UHFFFAOYSA-N 2 2 384.568 3.679 20 0 GHADLP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCS(=O)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000892990053 839837509 /nfs/dbraw/zinc/83/75/09/839837509.db2.gz XVORITOQDPNKDT-SXWLDUQESA-N 2 2 388.499 3.589 20 0 GHADLP C[N@H+]1CCC[C@@H](C[NH2+]C2CCS(=O)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000892990053 839837517 /nfs/dbraw/zinc/83/75/17/839837517.db2.gz XVORITOQDPNKDT-SXWLDUQESA-N 2 2 388.499 3.589 20 0 GHADLP Cc1ccccc1-c1noc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000684004676 839913451 /nfs/dbraw/zinc/91/34/51/839913451.db2.gz BBNVEIKXUJASOL-UHFFFAOYSA-N 2 2 377.492 3.957 20 0 GHADLP c1c2ccccc2[nH]c1C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000684021466 839992291 /nfs/dbraw/zinc/99/22/91/839992291.db2.gz VIBHBRDNTFQZMW-HXUWFJFHSA-N 2 2 389.547 3.597 20 0 GHADLP c1c2ccccc2[nH]c1C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000684021466 839992299 /nfs/dbraw/zinc/99/22/99/839992299.db2.gz VIBHBRDNTFQZMW-HXUWFJFHSA-N 2 2 389.547 3.597 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001167429869 839995819 /nfs/dbraw/zinc/99/58/19/839995819.db2.gz NOJLVPPJLBYCLG-PWRODBHTSA-N 2 2 397.607 3.939 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001167429869 839995831 /nfs/dbraw/zinc/99/58/31/839995831.db2.gz NOJLVPPJLBYCLG-PWRODBHTSA-N 2 2 397.607 3.939 20 0 GHADLP CC[C@H](C)Oc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1OC ZINC000656280635 840067415 /nfs/dbraw/zinc/06/74/15/840067415.db2.gz CDUZECLMVRWBLT-ICSRJNTNSA-N 2 2 376.541 3.559 20 0 GHADLP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1OC ZINC000656280635 840067428 /nfs/dbraw/zinc/06/74/28/840067428.db2.gz CDUZECLMVRWBLT-ICSRJNTNSA-N 2 2 376.541 3.559 20 0 GHADLP c1csc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000390612883 840193616 /nfs/dbraw/zinc/19/36/16/840193616.db2.gz XHWXLXJOLUONBB-LJQANCHMSA-N 2 2 382.533 3.519 20 0 GHADLP c1csc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000390612883 840193625 /nfs/dbraw/zinc/19/36/25/840193625.db2.gz XHWXLXJOLUONBB-LJQANCHMSA-N 2 2 382.533 3.519 20 0 GHADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000417076733 840427446 /nfs/dbraw/zinc/42/74/46/840427446.db2.gz OMWJPYBSSWPSGW-JOCHJYFZSA-N 2 2 391.519 3.554 20 0 GHADLP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660466775 840598925 /nfs/dbraw/zinc/59/89/25/840598925.db2.gz BZRQRGACHKIMMO-NRFANRHFSA-N 2 2 390.531 3.688 20 0 GHADLP c1ccc(-c2nc3ccccn3c2C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660466775 840598930 /nfs/dbraw/zinc/59/89/30/840598930.db2.gz BZRQRGACHKIMMO-NRFANRHFSA-N 2 2 390.531 3.688 20 0 GHADLP CSc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000417296571 840694532 /nfs/dbraw/zinc/69/45/32/840694532.db2.gz QODNSGKGRTWTLY-UHFFFAOYSA-N 2 2 384.977 3.552 20 0 GHADLP CSc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000417296571 840694540 /nfs/dbraw/zinc/69/45/40/840694540.db2.gz QODNSGKGRTWTLY-UHFFFAOYSA-N 2 2 384.977 3.552 20 0 GHADLP c1ccc(C[NH2+]C2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000660673857 841087216 /nfs/dbraw/zinc/08/72/16/841087216.db2.gz IKSDVGAZLAIBQK-UHFFFAOYSA-N 2 2 376.504 3.923 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)Cc1ccccc1 ZINC000052591129 844606728 /nfs/dbraw/zinc/60/67/28/844606728.db2.gz MOMROIRNHKIYOX-QHCPKHFHSA-N 2 2 390.531 3.614 20 0 GHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000430598066 841348756 /nfs/dbraw/zinc/34/87/56/841348756.db2.gz NPIFWTKZCSTXIK-BJLQDIEVSA-N 2 2 381.520 3.652 20 0 GHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000430598066 841348770 /nfs/dbraw/zinc/34/87/70/841348770.db2.gz NPIFWTKZCSTXIK-BJLQDIEVSA-N 2 2 381.520 3.652 20 0 GHADLP COC(=O)c1ccc(C[NH2+]CCCCNc2cccc[nH+]2)c(Br)c1 ZINC000581504133 841553688 /nfs/dbraw/zinc/55/36/88/841553688.db2.gz ZNRCZBIFYCIMDO-UHFFFAOYSA-N 2 2 392.297 3.613 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccsc1 ZINC000474866638 861242628 /nfs/dbraw/zinc/24/26/28/861242628.db2.gz DHWRWEZTBBXGKB-KXBFYZLASA-N 2 2 388.581 3.899 20 0 GHADLP FC(F)Oc1ccc(Br)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000647172545 841994927 /nfs/dbraw/zinc/99/49/27/841994927.db2.gz ZJTWJOYZELJDKP-STQMWFEESA-N 2 2 375.257 3.767 20 0 GHADLP FC(F)Oc1ccc(Br)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000647172545 841994932 /nfs/dbraw/zinc/99/49/32/841994932.db2.gz ZJTWJOYZELJDKP-STQMWFEESA-N 2 2 375.257 3.767 20 0 GHADLP CN(C(=O)c1ccccc1OC1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000581749208 842143494 /nfs/dbraw/zinc/14/34/94/842143494.db2.gz JZSVIYKXTULLRR-FGZHOGPDSA-N 2 2 399.579 3.637 20 0 GHADLP CN(C(=O)c1ccccc1OC1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000581749208 842143498 /nfs/dbraw/zinc/14/34/98/842143498.db2.gz JZSVIYKXTULLRR-FGZHOGPDSA-N 2 2 399.579 3.637 20 0 GHADLP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1=O ZINC000559149637 842292031 /nfs/dbraw/zinc/29/20/31/842292031.db2.gz MIVJWRBIANWVAP-GCJKJVERSA-N 2 2 398.526 3.877 20 0 GHADLP C[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)[C@@H]1CC[NH3+] ZINC000652354466 842351141 /nfs/dbraw/zinc/35/11/41/842351141.db2.gz ZKXVPJIOBOKQJN-FPDPHYFHSA-N 2 2 389.540 3.542 20 0 GHADLP C[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)[C@@H]1CC[NH3+] ZINC000652354466 842351148 /nfs/dbraw/zinc/35/11/48/842351148.db2.gz ZKXVPJIOBOKQJN-FPDPHYFHSA-N 2 2 389.540 3.542 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)s1 ZINC000512112604 842534475 /nfs/dbraw/zinc/53/44/75/842534475.db2.gz FEWBPNVSNZPREF-SFHVURJKSA-N 2 2 378.973 3.785 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2OCc2ccccn2)[C@@H](C)C1 ZINC000245713794 842614380 /nfs/dbraw/zinc/61/43/80/842614380.db2.gz GLOQHALQVQCUQO-AVRDEDQJSA-N 2 2 383.536 3.831 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2OCc2ccccn2)[C@@H](C)C1 ZINC000245713794 842614388 /nfs/dbraw/zinc/61/43/88/842614388.db2.gz GLOQHALQVQCUQO-AVRDEDQJSA-N 2 2 383.536 3.831 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)ccc2OCc2ccccn2)[C@@H](C)C1 ZINC000245713794 842614396 /nfs/dbraw/zinc/61/43/96/842614396.db2.gz GLOQHALQVQCUQO-AVRDEDQJSA-N 2 2 383.536 3.831 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)ccc2OCc2ccccn2)[C@@H](C)C1 ZINC000245713794 842614399 /nfs/dbraw/zinc/61/43/99/842614399.db2.gz GLOQHALQVQCUQO-AVRDEDQJSA-N 2 2 383.536 3.831 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4ccc(C(C)(C)C)cc4[nH]3)CC2)CC1 ZINC000050798832 842676256 /nfs/dbraw/zinc/67/62/56/842676256.db2.gz NQKTYDVIZBBWOA-UHFFFAOYSA-N 2 2 396.579 3.754 20 0 GHADLP O[C@H](C[NH+]1CC[C@@H](c2ccccc2F)C1)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000555583971 861339370 /nfs/dbraw/zinc/33/93/70/861339370.db2.gz SLLRYHWUFPQVBD-REPLKXPHSA-N 2 2 386.486 3.605 20 0 GHADLP O[C@H](C[NH+]1CC[C@@H](c2ccccc2F)C1)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000555583971 861339379 /nfs/dbraw/zinc/33/93/79/861339379.db2.gz SLLRYHWUFPQVBD-REPLKXPHSA-N 2 2 386.486 3.605 20 0 GHADLP O[C@@H](C[NH+]1CC[C@H](c2ccccc2F)C1)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000555583971 861339404 /nfs/dbraw/zinc/33/94/04/861339404.db2.gz SLLRYHWUFPQVBD-REPLKXPHSA-N 2 2 386.486 3.605 20 0 GHADLP O[C@@H](C[NH+]1CC[C@H](c2ccccc2F)C1)C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000555583971 861339425 /nfs/dbraw/zinc/33/94/25/861339425.db2.gz SLLRYHWUFPQVBD-REPLKXPHSA-N 2 2 386.486 3.605 20 0 GHADLP C[NH+](C)Cc1cccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278856530 842851933 /nfs/dbraw/zinc/85/19/33/842851933.db2.gz MIVMDQQSXUQDCP-UHFFFAOYSA-N 2 2 381.524 3.693 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(Nc3ncnc4sc5c(c43)CCCC5)CC2)CC1 ZINC000050954586 842859302 /nfs/dbraw/zinc/85/93/02/842859302.db2.gz DCRXYYYVTPPEKJ-UHFFFAOYSA-N 2 2 385.581 3.541 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247639154 843003286 /nfs/dbraw/zinc/00/32/86/843003286.db2.gz OISFBUJVZPOWSX-CPUCHLNUSA-N 2 2 391.313 3.556 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247639154 843003293 /nfs/dbraw/zinc/00/32/93/843003293.db2.gz OISFBUJVZPOWSX-CPUCHLNUSA-N 2 2 391.313 3.556 20 0 GHADLP CN(C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C(c1ccccc1)c1ccccc1 ZINC000555598154 861383317 /nfs/dbraw/zinc/38/33/17/861383317.db2.gz PEUZIHIULQLBAT-RUZDIDTESA-N 2 2 391.559 3.652 20 0 GHADLP CN(C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C(c1ccccc1)c1ccccc1 ZINC000555598154 861383334 /nfs/dbraw/zinc/38/33/34/861383334.db2.gz PEUZIHIULQLBAT-RUZDIDTESA-N 2 2 391.559 3.652 20 0 GHADLP CN(C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)C(c1ccccc1)c1ccccc1 ZINC000555598154 861383347 /nfs/dbraw/zinc/38/33/47/861383347.db2.gz PEUZIHIULQLBAT-RUZDIDTESA-N 2 2 391.559 3.652 20 0 GHADLP CN(C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)C(c1ccccc1)c1ccccc1 ZINC000555598154 861383355 /nfs/dbraw/zinc/38/33/55/861383355.db2.gz PEUZIHIULQLBAT-RUZDIDTESA-N 2 2 391.559 3.652 20 0 GHADLP Cc1cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000662325791 843141893 /nfs/dbraw/zinc/14/18/93/843141893.db2.gz PRDLYZKYAUXDHN-FQEVSTJZSA-N 2 2 388.943 3.648 20 0 GHADLP Cc1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000662325791 843141896 /nfs/dbraw/zinc/14/18/96/843141896.db2.gz PRDLYZKYAUXDHN-FQEVSTJZSA-N 2 2 388.943 3.648 20 0 GHADLP CCCCc1noc([C@H](C)[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)n1 ZINC000662328713 843157520 /nfs/dbraw/zinc/15/75/20/843157520.db2.gz TZNFONRQWJHJAN-HNNXBMFYSA-N 2 2 386.544 3.543 20 0 GHADLP CCCCc1noc([C@H](C)[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)n1 ZINC000662328713 843157525 /nfs/dbraw/zinc/15/75/25/843157525.db2.gz TZNFONRQWJHJAN-HNNXBMFYSA-N 2 2 386.544 3.543 20 0 GHADLP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512241662 843197906 /nfs/dbraw/zinc/19/79/06/843197906.db2.gz FLYIZQHTLVQADW-DEOSSOPVSA-N 2 2 378.516 3.866 20 0 GHADLP CC(=O)c1ccccc1OCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512241662 843197914 /nfs/dbraw/zinc/19/79/14/843197914.db2.gz FLYIZQHTLVQADW-DEOSSOPVSA-N 2 2 378.516 3.866 20 0 GHADLP CC(=O)c1ccccc1OCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512241662 843197915 /nfs/dbraw/zinc/19/79/15/843197915.db2.gz FLYIZQHTLVQADW-DEOSSOPVSA-N 2 2 378.516 3.866 20 0 GHADLP CC(=O)c1ccccc1OCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512241662 843197921 /nfs/dbraw/zinc/19/79/21/843197921.db2.gz FLYIZQHTLVQADW-DEOSSOPVSA-N 2 2 378.516 3.866 20 0 GHADLP COc1cc2cc[nH+]c(NCc3ccc(C[NH+]4CCOCC4)cc3)c2cc1OC ZINC000663349702 843269514 /nfs/dbraw/zinc/26/95/14/843269514.db2.gz QDRODFMOIDKFIS-UHFFFAOYSA-N 2 2 393.487 3.696 20 0 GHADLP O=C(C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1cccc(Cl)c1 ZINC000432663985 843371325 /nfs/dbraw/zinc/37/13/25/843371325.db2.gz LTCJJGHXZHPBTP-GOSISDBHSA-N 2 2 389.952 3.984 20 0 GHADLP O=C(C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1cccc(Cl)c1 ZINC000432663985 843371330 /nfs/dbraw/zinc/37/13/30/843371330.db2.gz LTCJJGHXZHPBTP-GOSISDBHSA-N 2 2 389.952 3.984 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614001487 843381977 /nfs/dbraw/zinc/38/19/77/843381977.db2.gz WOMSPAWCHWYDLW-QFIPXVFZSA-N 2 2 396.579 3.639 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614001487 843381990 /nfs/dbraw/zinc/38/19/90/843381990.db2.gz WOMSPAWCHWYDLW-QFIPXVFZSA-N 2 2 396.579 3.639 20 0 GHADLP Cc1nc2c(cccc2C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000279856236 843434264 /nfs/dbraw/zinc/43/42/64/843434264.db2.gz BGERPKPNKUEELA-WOJBJXKFSA-N 2 2 398.551 3.545 20 0 GHADLP Cc1nc2c(cccc2C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000279856236 843434266 /nfs/dbraw/zinc/43/42/66/843434266.db2.gz BGERPKPNKUEELA-WOJBJXKFSA-N 2 2 398.551 3.545 20 0 GHADLP [NH3+]CCC[C@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000418679622 843535782 /nfs/dbraw/zinc/53/57/82/843535782.db2.gz UDEZAVKKRWXFCD-FPOVZHCZSA-N 2 2 395.551 3.589 20 0 GHADLP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431100428 843596494 /nfs/dbraw/zinc/59/64/94/843596494.db2.gz MBWMPHQFMZWEEX-HNNXBMFYSA-N 2 2 382.512 3.574 20 0 GHADLP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431100428 843596500 /nfs/dbraw/zinc/59/65/00/843596500.db2.gz MBWMPHQFMZWEEX-HNNXBMFYSA-N 2 2 382.512 3.574 20 0 GHADLP C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278910380 843711683 /nfs/dbraw/zinc/71/16/83/843711683.db2.gz QKMOOQZXIQSMSD-CQSZACIVSA-N 2 2 388.462 3.704 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000432798294 843864044 /nfs/dbraw/zinc/86/40/44/843864044.db2.gz OOEGAXQSHKNZGZ-IBGZPJMESA-N 2 2 380.458 3.866 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000432798294 843864050 /nfs/dbraw/zinc/86/40/50/843864050.db2.gz OOEGAXQSHKNZGZ-IBGZPJMESA-N 2 2 380.458 3.866 20 0 GHADLP Cc1cc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1Br ZINC000419290643 843887884 /nfs/dbraw/zinc/88/78/84/843887884.db2.gz KKVPANHVXJVLBM-CQSZACIVSA-N 2 2 394.357 3.691 20 0 GHADLP Cc1ccc(OC[C@H](O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000576150351 843908853 /nfs/dbraw/zinc/90/88/53/843908853.db2.gz OFEGBDYRYPRTPB-NFBKMPQASA-N 2 2 379.504 3.579 20 0 GHADLP C[C@@]1(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CCC[NH2+]C1 ZINC000237378313 843935494 /nfs/dbraw/zinc/93/54/94/843935494.db2.gz CDFQFLFUQKCOKR-XMMPIXPASA-N 2 2 388.515 3.604 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C[C@@H](C)O1 ZINC000433312819 843999534 /nfs/dbraw/zinc/99/95/34/843999534.db2.gz SGOCADMPXZQXHP-IAGOWNOFSA-N 2 2 380.492 3.569 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000535822937 844699443 /nfs/dbraw/zinc/69/94/43/844699443.db2.gz GQZXWWANWRLDKO-XLIONFOSSA-N 2 2 378.451 3.729 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000535822937 844699459 /nfs/dbraw/zinc/69/94/59/844699459.db2.gz GQZXWWANWRLDKO-XLIONFOSSA-N 2 2 378.451 3.729 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](Nc4ccc(N5CCOCC5)c[nH+]4)[C@@H]3C2)cc1 ZINC000512626509 844804965 /nfs/dbraw/zinc/80/49/65/844804965.db2.gz UVDGDAJKXFYMSL-WWNPGLIZSA-N 2 2 392.547 3.631 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](Nc4ccc(N5CCOCC5)c[nH+]4)[C@@H]3C2)cc1 ZINC000512626509 844804969 /nfs/dbraw/zinc/80/49/69/844804969.db2.gz UVDGDAJKXFYMSL-WWNPGLIZSA-N 2 2 392.547 3.631 20 0 GHADLP c1cc2cccc(C[N@H+]3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)c2[nH]1 ZINC000512668014 844974616 /nfs/dbraw/zinc/97/46/16/844974616.db2.gz IJRGUIGDOKEVHY-FQEVSTJZSA-N 2 2 389.547 3.597 20 0 GHADLP c1cc2cccc(C[N@@H+]3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)c2[nH]1 ZINC000512668014 844974621 /nfs/dbraw/zinc/97/46/21/844974621.db2.gz IJRGUIGDOKEVHY-FQEVSTJZSA-N 2 2 389.547 3.597 20 0 GHADLP c1ccc(C[N@@H+]2CCC3(C2)CCN(c2cc(N4CCCC4)[nH+]cn2)CC3)cc1 ZINC000433753437 845280712 /nfs/dbraw/zinc/28/07/12/845280712.db2.gz JTKUNYHLKAJVQQ-UHFFFAOYSA-N 2 2 377.536 3.569 20 0 GHADLP c1ccc(C[N@H+]2CCC3(C2)CCN(c2cc(N4CCCC4)[nH+]cn2)CC3)cc1 ZINC000433753437 845280718 /nfs/dbraw/zinc/28/07/18/845280718.db2.gz JTKUNYHLKAJVQQ-UHFFFAOYSA-N 2 2 377.536 3.569 20 0 GHADLP c1ccc(C[N@@H+]2CCC3(C2)CCN(c2cc(N4CCCC4)nc[nH+]2)CC3)cc1 ZINC000433753437 845280724 /nfs/dbraw/zinc/28/07/24/845280724.db2.gz JTKUNYHLKAJVQQ-UHFFFAOYSA-N 2 2 377.536 3.569 20 0 GHADLP c1ccc(C[N@H+]2CCC3(C2)CCN(c2cc(N4CCCC4)nc[nH+]2)CC3)cc1 ZINC000433753437 845280728 /nfs/dbraw/zinc/28/07/28/845280728.db2.gz JTKUNYHLKAJVQQ-UHFFFAOYSA-N 2 2 377.536 3.569 20 0 GHADLP C[C@H]1C[C@H](CCNc2cc(N3CCSCC3)[nH+]cn2)C[N@@H+]1Cc1ccccc1 ZINC000433765395 845331391 /nfs/dbraw/zinc/33/13/91/845331391.db2.gz HUHQFOPCJWIRTG-ICSRJNTNSA-N 2 2 397.592 3.742 20 0 GHADLP C[C@H]1C[C@H](CCNc2cc(N3CCSCC3)[nH+]cn2)C[N@H+]1Cc1ccccc1 ZINC000433765395 845331402 /nfs/dbraw/zinc/33/14/02/845331402.db2.gz HUHQFOPCJWIRTG-ICSRJNTNSA-N 2 2 397.592 3.742 20 0 GHADLP C[C@H]1C[C@H](CCNc2cc(N3CCSCC3)nc[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000433765395 845331410 /nfs/dbraw/zinc/33/14/10/845331410.db2.gz HUHQFOPCJWIRTG-ICSRJNTNSA-N 2 2 397.592 3.742 20 0 GHADLP C[C@H]1C[C@H](CCNc2cc(N3CCSCC3)nc[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000433765395 845331416 /nfs/dbraw/zinc/33/14/16/845331416.db2.gz HUHQFOPCJWIRTG-ICSRJNTNSA-N 2 2 397.592 3.742 20 0 GHADLP C[C@H]1CCc2c(sc3nc(CC[NH+]4CCC5(CCC[N@@H+]5C)CC4)nc(N)c23)C1 ZINC000411438972 845456840 /nfs/dbraw/zinc/45/68/40/845456840.db2.gz DGERWEBREQERFB-HNNXBMFYSA-N 2 2 399.608 3.501 20 0 GHADLP C[C@H]1CCc2c(sc3nc(CC[NH+]4CCC5(CCC[N@H+]5C)CC4)nc(N)c23)C1 ZINC000411438972 845456862 /nfs/dbraw/zinc/45/68/62/845456862.db2.gz DGERWEBREQERFB-HNNXBMFYSA-N 2 2 399.608 3.501 20 0 GHADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000647814834 845466251 /nfs/dbraw/zinc/46/62/51/845466251.db2.gz ICHMBAJGKFRAKD-LJQANCHMSA-N 2 2 396.362 3.873 20 0 GHADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000647814834 845466262 /nfs/dbraw/zinc/46/62/62/845466262.db2.gz ICHMBAJGKFRAKD-LJQANCHMSA-N 2 2 396.362 3.873 20 0 GHADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430032233 845588671 /nfs/dbraw/zinc/58/86/71/845588671.db2.gz NMWVYFHLOASXNT-SFTDATJTSA-N 2 2 392.971 3.986 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000582092548 846292223 /nfs/dbraw/zinc/29/22/23/846292223.db2.gz WIXVWVFSLPVTBH-HSZRJFAPSA-N 2 2 389.503 3.854 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000582092548 846292232 /nfs/dbraw/zinc/29/22/32/846292232.db2.gz WIXVWVFSLPVTBH-HSZRJFAPSA-N 2 2 389.503 3.854 20 0 GHADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1Cn1cccn1 ZINC000152257219 846514319 /nfs/dbraw/zinc/51/43/19/846514319.db2.gz IRIOSVYORSVVJO-SFHVURJKSA-N 2 2 387.487 3.977 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000673768893 861688594 /nfs/dbraw/zinc/68/85/94/861688594.db2.gz KYKAGCYREWYIDP-UHFFFAOYSA-N 2 2 393.535 3.526 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(-c4cccs4)o3)CC2)CC1 ZINC000422015135 846732634 /nfs/dbraw/zinc/73/26/34/846732634.db2.gz GTRXNNNRVXCSEV-UHFFFAOYSA-N 2 2 387.549 3.640 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(-c4cccs4)o3)CC2)CC1 ZINC000422015135 846732641 /nfs/dbraw/zinc/73/26/41/846732641.db2.gz GTRXNNNRVXCSEV-UHFFFAOYSA-N 2 2 387.549 3.640 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(Cl)sc3Cl)CC2)CC1 ZINC000422004311 846742485 /nfs/dbraw/zinc/74/24/85/846742485.db2.gz GAMXCSCGXBPIED-UHFFFAOYSA-N 2 2 390.380 3.687 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(Cl)sc3Cl)CC2)CC1 ZINC000422004311 846742492 /nfs/dbraw/zinc/74/24/92/846742492.db2.gz GAMXCSCGXBPIED-UHFFFAOYSA-N 2 2 390.380 3.687 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000422027202 846757702 /nfs/dbraw/zinc/75/77/02/846757702.db2.gz WECXWRXTLOGGIJ-UHFFFAOYSA-N 2 2 385.596 3.545 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000422027202 846757712 /nfs/dbraw/zinc/75/77/12/846757712.db2.gz WECXWRXTLOGGIJ-UHFFFAOYSA-N 2 2 385.596 3.545 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3ccc4ccccc4c3)CC2)CC1 ZINC000422157009 846880166 /nfs/dbraw/zinc/88/01/66/846880166.db2.gz GATRGQHDRBGSAW-UHFFFAOYSA-N 2 2 394.563 3.541 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3ccc4ccccc4c3)CC2)CC1 ZINC000422157009 846880174 /nfs/dbraw/zinc/88/01/74/846880174.db2.gz GATRGQHDRBGSAW-UHFFFAOYSA-N 2 2 394.563 3.541 20 0 GHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000158455613 846972708 /nfs/dbraw/zinc/97/27/08/846972708.db2.gz DPYDHMRILIYOCG-INIZCTEOSA-N 2 2 390.478 3.594 20 0 GHADLP C[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000501608363 847043364 /nfs/dbraw/zinc/04/33/64/847043364.db2.gz RRUVCMXJKWWODZ-UXHICEINSA-N 2 2 388.515 3.666 20 0 GHADLP C[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000501608363 847043370 /nfs/dbraw/zinc/04/33/70/847043370.db2.gz RRUVCMXJKWWODZ-UXHICEINSA-N 2 2 388.515 3.666 20 0 GHADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000420352063 847133715 /nfs/dbraw/zinc/13/37/15/847133715.db2.gz AKLNTCCELJTZIW-AZUAARDMSA-N 2 2 396.362 3.732 20 0 GHADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000420352063 847133719 /nfs/dbraw/zinc/13/37/19/847133719.db2.gz AKLNTCCELJTZIW-AZUAARDMSA-N 2 2 396.362 3.732 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1Cc1ccccc1 ZINC000420385815 847151312 /nfs/dbraw/zinc/15/13/12/847151312.db2.gz FIVVJWGAKNBPSS-JTHBVZDNSA-N 2 2 377.532 3.680 20 0 GHADLP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1Cc1ccccc1 ZINC000420385815 847151327 /nfs/dbraw/zinc/15/13/27/847151327.db2.gz FIVVJWGAKNBPSS-JTHBVZDNSA-N 2 2 377.532 3.680 20 0 GHADLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](c3cccnc3)C(C)C)CC2)cc1 ZINC000091266754 847304198 /nfs/dbraw/zinc/30/41/98/847304198.db2.gz AHAJGIUYZBPZIC-QHCPKHFHSA-N 2 2 382.552 3.589 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CCCc4ccc(C)cc43)CC2)CC1 ZINC000422204468 847455982 /nfs/dbraw/zinc/45/59/82/847455982.db2.gz OAIVMEQYGQATSL-HSZRJFAPSA-N 2 2 398.595 3.574 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CCCc4ccc(C)cc43)CC2)CC1 ZINC000422204468 847455990 /nfs/dbraw/zinc/45/59/90/847455990.db2.gz OAIVMEQYGQATSL-HSZRJFAPSA-N 2 2 398.595 3.574 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3csc(Cc4ccccc4)n3)CC2)CC1 ZINC000420973345 847600144 /nfs/dbraw/zinc/60/01/44/847600144.db2.gz CADISGDEGCWDDP-UHFFFAOYSA-N 2 2 398.620 3.726 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3csc(Cc4ccccc4)n3)CC2)CC1 ZINC000420973345 847600152 /nfs/dbraw/zinc/60/01/52/847600152.db2.gz CADISGDEGCWDDP-UHFFFAOYSA-N 2 2 398.620 3.726 20 0 GHADLP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503404533 847668671 /nfs/dbraw/zinc/66/86/71/847668671.db2.gz GYJJDYFOABTBAY-QUCCMNQESA-N 2 2 392.547 3.767 20 0 GHADLP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503404533 847668675 /nfs/dbraw/zinc/66/86/75/847668675.db2.gz GYJJDYFOABTBAY-QUCCMNQESA-N 2 2 392.547 3.767 20 0 GHADLP COc1ccc([C@@H]([NH2+]CCCc2ccc(OC)c(OC)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422720237 847796244 /nfs/dbraw/zinc/79/62/44/847796244.db2.gz MKCGDWTYZKLDTM-NZQKXSOJSA-N 2 2 384.520 3.728 20 0 GHADLP COc1ccc([C@@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422820938 847839781 /nfs/dbraw/zinc/83/97/81/847839781.db2.gz SXIDPJROSZZBBL-VQTJNVASSA-N 2 2 399.501 3.742 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cnn(C2CCCC2)c1 ZINC000502403228 847843345 /nfs/dbraw/zinc/84/33/45/847843345.db2.gz NJDGTAUTBXCPQU-ZEYPLWLESA-N 2 2 382.552 3.532 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cnn(C2CCCC2)c1 ZINC000502403228 847843354 /nfs/dbraw/zinc/84/33/54/847843354.db2.gz NJDGTAUTBXCPQU-ZEYPLWLESA-N 2 2 382.552 3.532 20 0 GHADLP CCO[C@@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CC1 ZINC000625421247 861855115 /nfs/dbraw/zinc/85/51/15/861855115.db2.gz UWSHIXCXHGOVCH-INIZCTEOSA-N 2 2 382.302 3.556 20 0 GHADLP CCO[C@@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CC1 ZINC000625421247 861855131 /nfs/dbraw/zinc/85/51/31/861855131.db2.gz UWSHIXCXHGOVCH-INIZCTEOSA-N 2 2 382.302 3.556 20 0 GHADLP Cc1nc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)[nH]c1C ZINC000563439709 848059815 /nfs/dbraw/zinc/05/98/15/848059815.db2.gz HOBABZDHVPMUKC-UHFFFAOYSA-N 2 2 389.547 3.639 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000548774678 848469104 /nfs/dbraw/zinc/46/91/04/848469104.db2.gz VIQWYSMWXZAJID-IEBWSBKVSA-N 2 2 377.492 3.675 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000548774678 848469112 /nfs/dbraw/zinc/46/91/12/848469112.db2.gz VIQWYSMWXZAJID-IEBWSBKVSA-N 2 2 377.492 3.675 20 0 GHADLP O=C(C1CC[NH2+]CC1)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000237646613 848495364 /nfs/dbraw/zinc/49/53/64/848495364.db2.gz XUBWIQPJFVBDAO-QFIPXVFZSA-N 2 2 397.950 3.573 20 0 GHADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccncc3OCCC[NH+](C)C)CC2)C1 ZINC000582927923 848712833 /nfs/dbraw/zinc/71/28/33/848712833.db2.gz CKKWEWRBXWZNPI-KNQAVFIVSA-N 3 2 388.600 3.545 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)c(OC)c1 ZINC000583087503 849037385 /nfs/dbraw/zinc/03/73/85/849037385.db2.gz XWUWBMLPSZFWAP-DNVCBOLYSA-N 2 2 387.549 3.791 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)c(OC)c1 ZINC000583087503 849037388 /nfs/dbraw/zinc/03/73/88/849037388.db2.gz XWUWBMLPSZFWAP-DNVCBOLYSA-N 2 2 387.549 3.791 20 0 GHADLP C[C@@H]1CC(N2CC[NH+](Cc3ccccn3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168046227 862040298 /nfs/dbraw/zinc/04/02/98/862040298.db2.gz MXLZIRNMKSKRNX-NHCUHLMSSA-N 2 2 378.564 3.641 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000423112780 849759330 /nfs/dbraw/zinc/75/93/30/849759330.db2.gz XVXUSQNWRLVKPU-NIKGAXFTSA-N 2 2 386.458 3.530 20 0 GHADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423262650 849820950 /nfs/dbraw/zinc/82/09/50/849820950.db2.gz NCHIWIRIDAQFKY-HRAATJIYSA-N 2 2 378.582 3.961 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(-c2ccccc2Br)s1 ZINC000423510448 849960204 /nfs/dbraw/zinc/96/02/04/849960204.db2.gz JQYHXEQJTAENKF-KGLIPLIRSA-N 2 2 394.382 3.732 20 0 GHADLP Cc1cc(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(C2CC2)[nH+]1 ZINC000522567653 862083349 /nfs/dbraw/zinc/08/33/49/862083349.db2.gz OBGACEXNUMGXTJ-KRWDZBQOSA-N 2 2 376.426 3.790 20 0 GHADLP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(C2CC2)[nH+]1 ZINC000522567653 862083359 /nfs/dbraw/zinc/08/33/59/862083359.db2.gz OBGACEXNUMGXTJ-KRWDZBQOSA-N 2 2 376.426 3.790 20 0 GHADLP Fc1ccc(Cn2cc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cn2)cc1 ZINC000435060673 850036432 /nfs/dbraw/zinc/03/64/32/850036432.db2.gz UTPQLMWHBLRAFW-UHFFFAOYSA-N 2 2 393.510 3.983 20 0 GHADLP CC(C)[NH+](CCN(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C(C)C ZINC000504471666 850084494 /nfs/dbraw/zinc/08/44/94/850084494.db2.gz SVTJEYBXQGHVQU-KRWDZBQOSA-N 2 2 395.617 3.958 20 0 GHADLP CC(C)[NH+](CCN(C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C(C)C ZINC000504471666 850084504 /nfs/dbraw/zinc/08/45/04/850084504.db2.gz SVTJEYBXQGHVQU-KRWDZBQOSA-N 2 2 395.617 3.958 20 0 GHADLP CC[C@@H](C)[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000514735283 850237838 /nfs/dbraw/zinc/23/78/38/850237838.db2.gz YSGJGIAQEXTMSX-WZONZLPQSA-N 2 2 396.579 3.714 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000514760392 850256734 /nfs/dbraw/zinc/25/67/34/850256734.db2.gz LLIDSXJOGXIJML-RBUKOAKNSA-N 2 2 393.531 3.990 20 0 GHADLP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425316451 850285406 /nfs/dbraw/zinc/28/54/06/850285406.db2.gz YFTWJVQVQWTXOY-FQEVSTJZSA-N 2 2 380.492 3.505 20 0 GHADLP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425316451 850285416 /nfs/dbraw/zinc/28/54/16/850285416.db2.gz YFTWJVQVQWTXOY-FQEVSTJZSA-N 2 2 380.492 3.505 20 0 GHADLP C[NH+](C)CCOc1ccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1F ZINC000425315884 850288616 /nfs/dbraw/zinc/28/86/16/850288616.db2.gz OTDFAFAAOBYZCC-SFHVURJKSA-N 2 2 396.466 3.650 20 0 GHADLP COc1cc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000435387556 850453304 /nfs/dbraw/zinc/45/33/04/850453304.db2.gz APVMTILWXFKHEK-GOSISDBHSA-N 2 2 391.462 3.836 20 0 GHADLP COc1cc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000435387556 850453306 /nfs/dbraw/zinc/45/33/06/850453306.db2.gz APVMTILWXFKHEK-GOSISDBHSA-N 2 2 391.462 3.836 20 0 GHADLP FC(F)COc1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435391545 850458343 /nfs/dbraw/zinc/45/83/43/850458343.db2.gz SVQYCGPLSOKWRD-LJQANCHMSA-N 2 2 375.463 3.870 20 0 GHADLP FC(F)COc1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435391545 850458349 /nfs/dbraw/zinc/45/83/49/850458349.db2.gz SVQYCGPLSOKWRD-LJQANCHMSA-N 2 2 375.463 3.870 20 0 GHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000415006688 850598711 /nfs/dbraw/zinc/59/87/11/850598711.db2.gz QPIMFASWVRLDPN-RDGATRHJSA-N 3 2 395.566 3.816 20 0 GHADLP C[C@@H]1CCN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000519101449 850626788 /nfs/dbraw/zinc/62/67/88/850626788.db2.gz XGCVYKJVLKAETR-TZIWHRDSSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@@H]1CCN(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000519101449 850626793 /nfs/dbraw/zinc/62/67/93/850626793.db2.gz XGCVYKJVLKAETR-TZIWHRDSSA-N 2 2 395.551 3.530 20 0 GHADLP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000514001331 851130865 /nfs/dbraw/zinc/13/08/65/851130865.db2.gz JAETVOGHCGRBOT-JOCHJYFZSA-N 2 2 397.950 3.725 20 0 GHADLP C[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241347 851579458 /nfs/dbraw/zinc/57/94/58/851579458.db2.gz LKWQTNJGZJTOAT-HNNXBMFYSA-N 2 2 398.378 3.931 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@H](CCOC)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434745913 851613834 /nfs/dbraw/zinc/61/38/34/851613834.db2.gz ZFEAHEQIGNQTLX-MDNUFGMLSA-N 2 2 384.568 3.903 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@H](CCOC)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434745913 851613842 /nfs/dbraw/zinc/61/38/42/851613842.db2.gz ZFEAHEQIGNQTLX-MDNUFGMLSA-N 2 2 384.568 3.903 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@H](CCOC)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434745913 851613850 /nfs/dbraw/zinc/61/38/50/851613850.db2.gz ZFEAHEQIGNQTLX-MDNUFGMLSA-N 2 2 384.568 3.903 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@H](CCOC)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434745913 851613855 /nfs/dbraw/zinc/61/38/55/851613855.db2.gz ZFEAHEQIGNQTLX-MDNUFGMLSA-N 2 2 384.568 3.903 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@@H](CCOC)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434745911 851614061 /nfs/dbraw/zinc/61/40/61/851614061.db2.gz ZFEAHEQIGNQTLX-ACIOBRDBSA-N 2 2 384.568 3.903 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@@H](CCOC)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434745911 851614064 /nfs/dbraw/zinc/61/40/64/851614064.db2.gz ZFEAHEQIGNQTLX-ACIOBRDBSA-N 2 2 384.568 3.903 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@@H](CCOC)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434745911 851614068 /nfs/dbraw/zinc/61/40/68/851614068.db2.gz ZFEAHEQIGNQTLX-ACIOBRDBSA-N 2 2 384.568 3.903 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@@H](CCOC)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434745911 851614071 /nfs/dbraw/zinc/61/40/71/851614071.db2.gz ZFEAHEQIGNQTLX-ACIOBRDBSA-N 2 2 384.568 3.903 20 0 GHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000303441660 851623924 /nfs/dbraw/zinc/62/39/24/851623924.db2.gz FWHCEJXOMMEWHM-FQEVSTJZSA-N 2 2 380.879 3.763 20 0 GHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000303441660 851623931 /nfs/dbraw/zinc/62/39/31/851623931.db2.gz FWHCEJXOMMEWHM-FQEVSTJZSA-N 2 2 380.879 3.763 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC4(CCC4)[C@H]3C3CCOCC3)C2)cc1 ZINC000425558905 851934858 /nfs/dbraw/zinc/93/48/58/851934858.db2.gz YHHFJRSBUOHEIQ-XZOQPEGZSA-N 2 2 384.564 3.559 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC4(CCC4)[C@H]3C3CCOCC3)C2)cc1 ZINC000425558905 851934866 /nfs/dbraw/zinc/93/48/66/851934866.db2.gz YHHFJRSBUOHEIQ-XZOQPEGZSA-N 2 2 384.564 3.559 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC4(CCC4)[C@H]3C3CCOCC3)C2)cc1 ZINC000425558905 851934874 /nfs/dbraw/zinc/93/48/74/851934874.db2.gz YHHFJRSBUOHEIQ-XZOQPEGZSA-N 2 2 384.564 3.559 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC4(CCC4)[C@H]3C3CCOCC3)C2)cc1 ZINC000425558905 851934880 /nfs/dbraw/zinc/93/48/80/851934880.db2.gz YHHFJRSBUOHEIQ-XZOQPEGZSA-N 2 2 384.564 3.559 20 0 GHADLP C[N@@H+](Cc1cc(Br)cs1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425946792 852017380 /nfs/dbraw/zinc/01/73/80/852017380.db2.gz XRMLKQPSYDABTR-SFHVURJKSA-N 2 2 395.366 3.579 20 0 GHADLP C[N@H+](Cc1cc(Br)cs1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425946792 852017371 /nfs/dbraw/zinc/01/73/71/852017371.db2.gz XRMLKQPSYDABTR-SFHVURJKSA-N 2 2 395.366 3.579 20 0 GHADLP C[NH+](Cc1cc(Br)cs1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425946792 852017389 /nfs/dbraw/zinc/01/73/89/852017389.db2.gz XRMLKQPSYDABTR-SFHVURJKSA-N 2 2 395.366 3.579 20 0 GHADLP C[NH+](Cc1cc(Br)cs1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425946792 852017400 /nfs/dbraw/zinc/01/74/00/852017400.db2.gz XRMLKQPSYDABTR-SFHVURJKSA-N 2 2 395.366 3.579 20 0 GHADLP CCOc1cc(C[NH2+][C@H](C)C[NH3+])cc(Br)c1OCc1ccccc1 ZINC000414932788 852483364 /nfs/dbraw/zinc/48/33/64/852483364.db2.gz SMOUQPJQTQHCCE-CQSZACIVSA-N 2 2 393.325 3.864 20 0 GHADLP Cc1ccc(C[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000489708839 852538137 /nfs/dbraw/zinc/53/81/37/852538137.db2.gz AOAVHZMKBCKZPK-TUACAJSNSA-N 2 2 399.623 3.969 20 0 GHADLP Cc1ccc(C[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000489708839 852538140 /nfs/dbraw/zinc/53/81/40/852538140.db2.gz AOAVHZMKBCKZPK-TUACAJSNSA-N 2 2 399.623 3.969 20 0 GHADLP C[C@H]1C[C@H](C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000507095368 852539662 /nfs/dbraw/zinc/53/96/62/852539662.db2.gz RKCLLRJMOZJSBB-SBOYYNGUSA-N 2 2 377.617 3.854 20 0 GHADLP C[C@H]1C[C@H](C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000507095368 852539670 /nfs/dbraw/zinc/53/96/70/852539670.db2.gz RKCLLRJMOZJSBB-SBOYYNGUSA-N 2 2 377.617 3.854 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)n2)CC1 ZINC000438573588 852573318 /nfs/dbraw/zinc/57/33/18/852573318.db2.gz MNJOIVYFRPRAGC-SFHVURJKSA-N 2 2 376.570 3.721 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)n2)CC1 ZINC000438573588 852573325 /nfs/dbraw/zinc/57/33/25/852573325.db2.gz MNJOIVYFRPRAGC-SFHVURJKSA-N 2 2 376.570 3.721 20 0 GHADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000425677892 852598969 /nfs/dbraw/zinc/59/89/69/852598969.db2.gz VKIXNUSBRJCHFL-LJQANCHMSA-N 2 2 393.535 3.979 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CCCC1)c1ccccc1 ZINC000438834027 852943956 /nfs/dbraw/zinc/94/39/56/852943956.db2.gz QVRLGCOPLGTOAB-YSIASYRMSA-N 2 2 378.582 3.595 20 0 GHADLP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000427457159 853131302 /nfs/dbraw/zinc/13/13/02/853131302.db2.gz SJLCCCGPHXIPPU-IBGZPJMESA-N 2 2 396.362 3.701 20 0 GHADLP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000427457159 853131306 /nfs/dbraw/zinc/13/13/06/853131306.db2.gz SJLCCCGPHXIPPU-IBGZPJMESA-N 2 2 396.362 3.701 20 0 GHADLP CCOc1c(C[NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c(C)nn1CC(C)C ZINC000518279290 853155912 /nfs/dbraw/zinc/15/59/12/853155912.db2.gz LZOXVGCZKLAUCG-QGZVFWFLSA-N 2 2 387.572 3.845 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437659830 853388893 /nfs/dbraw/zinc/38/88/93/853388893.db2.gz XYGOTACFCOJXQD-IBGZPJMESA-N 2 2 399.514 3.608 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437659830 853388898 /nfs/dbraw/zinc/38/88/98/853388898.db2.gz XYGOTACFCOJXQD-IBGZPJMESA-N 2 2 399.514 3.608 20 0 GHADLP CCOc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1OCC(F)(F)F ZINC000519722256 853407246 /nfs/dbraw/zinc/40/72/46/853407246.db2.gz HEYHTVNTWCUSRS-LJQANCHMSA-N 2 2 386.458 3.944 20 0 GHADLP CCOc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1OCC(F)(F)F ZINC000519722256 853407252 /nfs/dbraw/zinc/40/72/52/853407252.db2.gz HEYHTVNTWCUSRS-LJQANCHMSA-N 2 2 386.458 3.944 20 0 GHADLP CCOc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1OCC(F)(F)F ZINC000519722256 853407258 /nfs/dbraw/zinc/40/72/58/853407258.db2.gz HEYHTVNTWCUSRS-LJQANCHMSA-N 2 2 386.458 3.944 20 0 GHADLP CCOc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1OCC(F)(F)F ZINC000519722256 853407265 /nfs/dbraw/zinc/40/72/65/853407265.db2.gz HEYHTVNTWCUSRS-LJQANCHMSA-N 2 2 386.458 3.944 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491058969 853431456 /nfs/dbraw/zinc/43/14/56/853431456.db2.gz QDIRNIIGRGAJHL-CTNGQTDRSA-N 2 2 389.559 3.761 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491058969 853431460 /nfs/dbraw/zinc/43/14/60/853431460.db2.gz QDIRNIIGRGAJHL-CTNGQTDRSA-N 2 2 389.559 3.761 20 0 GHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491063691 853434443 /nfs/dbraw/zinc/43/44/43/853434443.db2.gz VHVUZHGXGHDLOH-RBBKRZOGSA-N 2 2 375.601 3.970 20 0 GHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491063691 853434455 /nfs/dbraw/zinc/43/44/55/853434455.db2.gz VHVUZHGXGHDLOH-RBBKRZOGSA-N 2 2 375.601 3.970 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623864475 862465011 /nfs/dbraw/zinc/46/50/11/862465011.db2.gz PQGUFXPDWAHNQE-BULFRSBZSA-N 2 2 399.560 3.765 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623864475 862465012 /nfs/dbraw/zinc/46/50/12/862465012.db2.gz PQGUFXPDWAHNQE-BULFRSBZSA-N 2 2 399.560 3.765 20 0 GHADLP C[NH+](C)CCC[C@@H]1CN(c2[nH+]ccc3cc(Br)ccc32)CCO1 ZINC000664654683 853517447 /nfs/dbraw/zinc/51/74/47/853517447.db2.gz HHAIUDHURVZAIL-MRXNPFEDSA-N 2 2 378.314 3.544 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000437846149 853586528 /nfs/dbraw/zinc/58/65/28/853586528.db2.gz XPKJTLYOCYAYSG-UHFFFAOYSA-N 2 2 394.003 3.783 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000437846149 853586539 /nfs/dbraw/zinc/58/65/39/853586539.db2.gz XPKJTLYOCYAYSG-UHFFFAOYSA-N 2 2 394.003 3.783 20 0 GHADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623869696 862486439 /nfs/dbraw/zinc/48/64/39/862486439.db2.gz GUTKHOHSGNOGJO-GOSISDBHSA-N 2 2 398.532 3.815 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c(C)c1 ZINC000440842455 853675863 /nfs/dbraw/zinc/67/58/63/853675863.db2.gz FXDBQDKXIAZVMR-UNMCSNQZSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c(C)c1 ZINC000440873215 853718373 /nfs/dbraw/zinc/71/83/73/853718373.db2.gz IKDLTTFITSRGFX-ICSRJNTNSA-N 2 2 385.556 3.517 20 0 GHADLP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000556051592 862499025 /nfs/dbraw/zinc/49/90/25/862499025.db2.gz GBNQLHNKSUBPIH-CCDWMCETSA-N 2 2 393.575 3.793 20 0 GHADLP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000556051592 862499033 /nfs/dbraw/zinc/49/90/33/862499033.db2.gz GBNQLHNKSUBPIH-CCDWMCETSA-N 2 2 393.575 3.793 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2ccnn2C(C)C)c(C)c1 ZINC000441390655 854171259 /nfs/dbraw/zinc/17/12/59/854171259.db2.gz YBIIWKRSZQMXQS-QUCCMNQESA-N 2 2 394.523 3.635 20 0 GHADLP COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441391168 854173306 /nfs/dbraw/zinc/17/33/06/854173306.db2.gz ZPVXETMGEKWGRU-GHTZIAJQSA-N 2 2 392.503 3.867 20 0 GHADLP Cc1nc(-c2ccc(C[NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)cc2)cs1 ZINC000588689777 854360573 /nfs/dbraw/zinc/36/05/73/854360573.db2.gz RGAQJSMHPTUBTC-NRFANRHFSA-N 2 2 381.545 3.701 20 0 GHADLP Cc1nc(-c2ccc(C[NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)cc2)cs1 ZINC000588689777 854360577 /nfs/dbraw/zinc/36/05/77/854360577.db2.gz RGAQJSMHPTUBTC-NRFANRHFSA-N 2 2 381.545 3.701 20 0 GHADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3csc(Br)c3)CC2)C[C@H](C)O1 ZINC000588712112 854370835 /nfs/dbraw/zinc/37/08/35/854370835.db2.gz YUDZPOJBJUBUPE-OKILXGFUSA-N 2 2 387.387 3.832 20 0 GHADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3csc(Br)c3)CC2)C[C@H](C)O1 ZINC000588712112 854370842 /nfs/dbraw/zinc/37/08/42/854370842.db2.gz YUDZPOJBJUBUPE-OKILXGFUSA-N 2 2 387.387 3.832 20 0 GHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)([NH+]2CCCCC2)CC1 ZINC000465615442 854840605 /nfs/dbraw/zinc/84/06/05/854840605.db2.gz KNFMPERWKZYNBP-PCCBWWKXSA-N 2 2 390.616 3.595 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C=C3CCC(C(C)(C)C)CC3)CC2)CC1 ZINC000157137452 855047096 /nfs/dbraw/zinc/04/70/96/855047096.db2.gz JWTQXEBECYYZCD-UHFFFAOYSA-N 2 2 375.601 3.824 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000590851160 855613554 /nfs/dbraw/zinc/61/35/54/855613554.db2.gz GDBWLUNZVRLPKA-SIKLNZKXSA-N 2 2 395.551 3.662 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000590851160 855613559 /nfs/dbraw/zinc/61/35/59/855613559.db2.gz GDBWLUNZVRLPKA-SIKLNZKXSA-N 2 2 395.551 3.662 20 0 GHADLP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590863105 855635018 /nfs/dbraw/zinc/63/50/18/855635018.db2.gz XPQKGQKKQRBSDF-JOCHJYFZSA-N 2 2 395.551 3.806 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591082607 855751034 /nfs/dbraw/zinc/75/10/34/855751034.db2.gz RUEYDYLAIZEQEZ-IFMALSPDSA-N 2 2 390.487 3.909 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591082607 855751035 /nfs/dbraw/zinc/75/10/35/855751035.db2.gz RUEYDYLAIZEQEZ-IFMALSPDSA-N 2 2 390.487 3.909 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000591456738 855998388 /nfs/dbraw/zinc/99/83/88/855998388.db2.gz STPDYSFBDQRJGW-RBUKOAKNSA-N 2 2 396.535 3.683 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000591456738 855998396 /nfs/dbraw/zinc/99/83/96/855998396.db2.gz STPDYSFBDQRJGW-RBUKOAKNSA-N 2 2 396.535 3.683 20 0 GHADLP CO[C@H](C)c1nc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cs1 ZINC000674489974 856338872 /nfs/dbraw/zinc/33/88/72/856338872.db2.gz IHHBURAMFMQECQ-MRXNPFEDSA-N 2 2 375.538 3.615 20 0 GHADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cn(-c2ccccc2)nn1 ZINC000485390268 856431797 /nfs/dbraw/zinc/43/17/97/856431797.db2.gz YACZAJYYHMOUJC-ZJOUEHCJSA-N 2 2 375.520 3.829 20 0 GHADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn(-c2ccccc2)nn1 ZINC000485390268 856431802 /nfs/dbraw/zinc/43/18/02/856431802.db2.gz YACZAJYYHMOUJC-ZJOUEHCJSA-N 2 2 375.520 3.829 20 0 GHADLP C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485414035 856459603 /nfs/dbraw/zinc/45/96/03/856459603.db2.gz NUEMEPOEAGEWQF-AVCGJXAMSA-N 2 2 377.532 3.507 20 0 GHADLP C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485414035 856459609 /nfs/dbraw/zinc/45/96/09/856459609.db2.gz NUEMEPOEAGEWQF-AVCGJXAMSA-N 2 2 377.532 3.507 20 0 GHADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3csc(-c4ccc(Cl)cc4)n3)C2)CC1 ZINC000172348680 856468565 /nfs/dbraw/zinc/46/85/65/856468565.db2.gz RCQCCBAZGGOAKM-LJQANCHMSA-N 2 2 390.984 3.675 20 0 GHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc(-c4ccc(Cl)cc4)n3)C2)CC1 ZINC000172348680 856468571 /nfs/dbraw/zinc/46/85/71/856468571.db2.gz RCQCCBAZGGOAKM-LJQANCHMSA-N 2 2 390.984 3.675 20 0 GHADLP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000482217256 862817535 /nfs/dbraw/zinc/81/75/35/862817535.db2.gz GHOPEJOTPIGQSW-SFHVURJKSA-N 2 2 386.923 3.781 20 0 GHADLP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000482217256 862817548 /nfs/dbraw/zinc/81/75/48/862817548.db2.gz GHOPEJOTPIGQSW-SFHVURJKSA-N 2 2 386.923 3.781 20 0 GHADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CCSc3cc(Cl)ccc3Cl)CC2)C1 ZINC000605151014 862834524 /nfs/dbraw/zinc/83/45/24/862834524.db2.gz WERMOPVATKKMGY-INIZCTEOSA-N 2 2 388.408 3.797 20 0 GHADLP C[N@H+]1CCC[C@H](N2CC[NH+](CCSc3cc(Cl)ccc3Cl)CC2)C1 ZINC000605151014 862834540 /nfs/dbraw/zinc/83/45/40/862834540.db2.gz WERMOPVATKKMGY-INIZCTEOSA-N 2 2 388.408 3.797 20 0 GHADLP CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1F ZINC000265679872 856819330 /nfs/dbraw/zinc/81/93/30/856819330.db2.gz ZLBGNGNUWOBGQE-OAQYLSRUSA-N 2 2 387.474 3.593 20 0 GHADLP CC[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000785457876 856828297 /nfs/dbraw/zinc/82/82/97/856828297.db2.gz JJYGWCUHUROBHS-QGZVFWFLSA-N 2 2 376.545 3.533 20 0 GHADLP CC[N@@H+](C[C@@H](C)NC(=O)OC(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000785457876 856828305 /nfs/dbraw/zinc/82/83/05/856828305.db2.gz JJYGWCUHUROBHS-QGZVFWFLSA-N 2 2 376.545 3.533 20 0 GHADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253366 857054464 /nfs/dbraw/zinc/05/44/64/857054464.db2.gz OXOYBEKDASXUPT-BSLALVQMSA-N 2 2 383.511 3.841 20 0 GHADLP C[C@@H]1CCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000675273225 857130372 /nfs/dbraw/zinc/13/03/72/857130372.db2.gz KWXSOTRAHYOMES-BAGYTPMASA-N 2 2 395.551 3.703 20 0 GHADLP Fc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282201430 857300002 /nfs/dbraw/zinc/30/00/02/857300002.db2.gz XFVQBOZZXJOBSW-OAHLLOKOSA-N 2 2 381.455 3.788 20 0 GHADLP Fc1ccccc1-c1noc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282201430 857300014 /nfs/dbraw/zinc/30/00/14/857300014.db2.gz XFVQBOZZXJOBSW-OAHLLOKOSA-N 2 2 381.455 3.788 20 0 GHADLP CC(C)Cc1cccc([C@@H](C)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671720606 857445723 /nfs/dbraw/zinc/44/57/23/857445723.db2.gz PKDMVSZHLBYLPI-XXBNENTESA-N 2 2 385.596 3.616 20 0 GHADLP CC(C)Cc1cccc([C@@H](C)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671720606 857445736 /nfs/dbraw/zinc/44/57/36/857445736.db2.gz PKDMVSZHLBYLPI-XXBNENTESA-N 2 2 385.596 3.616 20 0 GHADLP C[NH+](C)CCCOc1cccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000668592374 857480950 /nfs/dbraw/zinc/48/09/50/857480950.db2.gz LNMHJCGSGAHLLX-NRFANRHFSA-N 2 2 392.503 3.901 20 0 GHADLP Fc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000282230953 857482015 /nfs/dbraw/zinc/48/20/15/857482015.db2.gz ZHVFZTFPAFJMRG-MRXNPFEDSA-N 2 2 381.455 3.788 20 0 GHADLP Fc1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000282230953 857482020 /nfs/dbraw/zinc/48/20/20/857482020.db2.gz ZHVFZTFPAFJMRG-MRXNPFEDSA-N 2 2 381.455 3.788 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)CC1 ZINC000181581908 862928369 /nfs/dbraw/zinc/92/83/69/862928369.db2.gz MWQFUDMVDIWCIB-ZDUSSCGKSA-N 2 2 381.314 3.957 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000063109410 857590780 /nfs/dbraw/zinc/59/07/80/857590780.db2.gz ZRWUXEBQLYIPFY-UHFFFAOYSA-N 2 2 392.478 3.540 20 0 GHADLP COc1ccc2[nH]cc(CC[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)c2c1 ZINC000675876906 857657250 /nfs/dbraw/zinc/65/72/50/857657250.db2.gz BJPFYMCPVLEACY-JTSKRJEESA-N 2 2 378.520 3.614 20 0 GHADLP COc1ccc2[nH]cc(CC[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)c2c1 ZINC000675876906 857657253 /nfs/dbraw/zinc/65/72/53/857657253.db2.gz BJPFYMCPVLEACY-JTSKRJEESA-N 2 2 378.520 3.614 20 0 GHADLP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)c2c1 ZINC000675876907 857657632 /nfs/dbraw/zinc/65/76/32/857657632.db2.gz BJPFYMCPVLEACY-VGOFRKELSA-N 2 2 378.520 3.614 20 0 GHADLP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)c2c1 ZINC000675876907 857657642 /nfs/dbraw/zinc/65/76/42/857657642.db2.gz BJPFYMCPVLEACY-VGOFRKELSA-N 2 2 378.520 3.614 20 0 GHADLP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCO2 ZINC000675880527 857658656 /nfs/dbraw/zinc/65/86/56/857658656.db2.gz FSIVWNOASCZXLX-AEFFLSMTSA-N 2 2 395.341 3.506 20 0 GHADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000675970271 857688492 /nfs/dbraw/zinc/68/84/92/857688492.db2.gz BPAUPWDVSTXBOX-WIYYLYMNSA-N 2 2 384.495 3.702 20 0 GHADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000675970271 857688497 /nfs/dbraw/zinc/68/84/97/857688497.db2.gz BPAUPWDVSTXBOX-WIYYLYMNSA-N 2 2 384.495 3.702 20 0 GHADLP CC(C)(CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[NH+]1CCCCC1 ZINC000131360996 857732092 /nfs/dbraw/zinc/73/20/92/857732092.db2.gz MTLXKSAPYHGVGO-SFTDATJTSA-N 2 2 395.551 3.675 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccc4[nH]c(=O)oc4c3)CC2)c1 ZINC000671740727 857744425 /nfs/dbraw/zinc/74/44/25/857744425.db2.gz RMORCPSJJWDFCG-GOSISDBHSA-N 2 2 394.519 3.705 20 0 GHADLP CC(C)(C)c1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000065014173 857762033 /nfs/dbraw/zinc/76/20/33/857762033.db2.gz FIZVYDXWGCQZOH-UHFFFAOYSA-N 2 2 382.548 3.985 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1cccs1 ZINC000672968244 857954588 /nfs/dbraw/zinc/95/45/88/857954588.db2.gz ALUUMKNIFWPJIW-SJORKVTESA-N 2 2 394.972 3.606 20 0 GHADLP COc1ccccc1[C@@H]([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000165341475 857971495 /nfs/dbraw/zinc/97/14/95/857971495.db2.gz UGXLVNKELQEANF-HXUWFJFHSA-N 2 2 378.476 3.702 20 0 GHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290570 858061550 /nfs/dbraw/zinc/06/15/50/858061550.db2.gz CXCXDZPXMRCDSE-JTQLQIEISA-N 2 2 389.912 3.577 20 0 GHADLP COc1ccc(Br)cc1-c1nc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cs1 ZINC000442767262 858128343 /nfs/dbraw/zinc/12/83/43/858128343.db2.gz MJUREZQPADQBFJ-VXGBXAGGSA-N 2 2 396.354 3.750 20 0 GHADLP COc1ccc(Br)cc1-c1nc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cs1 ZINC000442767262 858128345 /nfs/dbraw/zinc/12/83/45/858128345.db2.gz MJUREZQPADQBFJ-VXGBXAGGSA-N 2 2 396.354 3.750 20 0 GHADLP COCCC[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cc1 ZINC000442872528 858189681 /nfs/dbraw/zinc/18/96/81/858189681.db2.gz ZAKKXAXCJSKFCY-LEWJYISDSA-N 2 2 386.515 3.941 20 0 GHADLP C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000543080823 858233586 /nfs/dbraw/zinc/23/35/86/858233586.db2.gz HVAMENFKXXKAOU-CTNGQTDRSA-N 2 2 384.593 3.608 20 0 GHADLP C[C@H](Cc1ccsc1)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000543080823 858233591 /nfs/dbraw/zinc/23/35/91/858233591.db2.gz HVAMENFKXXKAOU-CTNGQTDRSA-N 2 2 384.593 3.608 20 0 GHADLP C[NH+]1CCC(CNC(=O)N2CCCC[C@H]2c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000543109004 858404660 /nfs/dbraw/zinc/40/46/60/858404660.db2.gz ZDMXPPNRUFZOOI-QFIPXVFZSA-N 2 2 398.595 3.874 20 0 GHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@H](C(C)(C)C)CC2)([NH+]2CCCCC2)CC1 ZINC000466142218 858464634 /nfs/dbraw/zinc/46/46/34/858464634.db2.gz PAIUSCKBUJBKNL-FQEVSTJZSA-N 2 2 392.632 3.795 20 0 GHADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000575097834 858585236 /nfs/dbraw/zinc/58/52/36/858585236.db2.gz PPXKWAMECLTOSJ-ILWGZMRPSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000575097834 858585242 /nfs/dbraw/zinc/58/52/42/858585242.db2.gz PPXKWAMECLTOSJ-ILWGZMRPSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000575097834 858585245 /nfs/dbraw/zinc/58/52/45/858585245.db2.gz PPXKWAMECLTOSJ-ILWGZMRPSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000575097834 858585253 /nfs/dbraw/zinc/58/52/53/858585253.db2.gz PPXKWAMECLTOSJ-ILWGZMRPSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cnn1-c1cc(C)ccc1C ZINC000482741772 858812328 /nfs/dbraw/zinc/81/23/28/858812328.db2.gz QAYGVADQCJHBJM-TZIWHRDSSA-N 2 2 384.568 3.541 20 0 GHADLP Cc1c(-c2cc(C[NH2+]C3[C@@H](C)C[NH+](Cc4ccccc4)C[C@@H]3C)on2)cnn1C ZINC000189954849 858841159 /nfs/dbraw/zinc/84/11/59/858841159.db2.gz RCARWWMUVHKGOJ-IRXDYDNUSA-N 2 2 393.535 3.630 20 0 GHADLP CC[N@H+](C[C@@H](O)CCC(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000482827772 858886662 /nfs/dbraw/zinc/88/66/62/858886662.db2.gz ZQZOGMYMDMYYBI-FQEVSTJZSA-N 2 2 376.589 3.996 20 0 GHADLP CC[N@@H+](C[C@@H](O)CCC(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000482827772 858886674 /nfs/dbraw/zinc/88/66/74/858886674.db2.gz ZQZOGMYMDMYYBI-FQEVSTJZSA-N 2 2 376.589 3.996 20 0 GHADLP COC(=O)Cc1cc[nH+]c(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000596524695 858922441 /nfs/dbraw/zinc/92/24/41/858922441.db2.gz CYFFBZXCEJFOLW-HXUWFJFHSA-N 2 2 379.504 3.511 20 0 GHADLP COC(=O)Cc1cc[nH+]c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000596524695 858922447 /nfs/dbraw/zinc/92/24/47/858922447.db2.gz CYFFBZXCEJFOLW-HXUWFJFHSA-N 2 2 379.504 3.511 20 0 GHADLP COCCC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000157686290 858930786 /nfs/dbraw/zinc/93/07/86/858930786.db2.gz YBXBTRJTPZXUHI-RBUKOAKNSA-N 2 2 381.358 3.991 20 0 GHADLP COCCC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000157686290 858930788 /nfs/dbraw/zinc/93/07/88/858930788.db2.gz YBXBTRJTPZXUHI-RBUKOAKNSA-N 2 2 381.358 3.991 20 0 GHADLP Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C1)CC2 ZINC000482942656 858997743 /nfs/dbraw/zinc/99/77/43/858997743.db2.gz FCUOQCUGYCDFPA-CVDCTZTESA-N 2 2 394.538 3.742 20 0 GHADLP Fc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C1)CC2 ZINC000482942656 858997755 /nfs/dbraw/zinc/99/77/55/858997755.db2.gz FCUOQCUGYCDFPA-CVDCTZTESA-N 2 2 394.538 3.742 20 0 GHADLP COc1cc2c(cc1OC)[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CC2 ZINC000479366872 859020145 /nfs/dbraw/zinc/02/01/45/859020145.db2.gz YMLVRICKGNGFBZ-HXUWFJFHSA-N 2 2 377.488 3.768 20 0 GHADLP C[NH+](C)CC1(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CCCC1 ZINC000185173892 859052536 /nfs/dbraw/zinc/05/25/36/859052536.db2.gz XIPXJSCXBVZUTR-LEWJYISDSA-N 2 2 395.551 3.533 20 0 GHADLP C[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[N@@H+]1CCCC[C@H]1C ZINC000532193300 881377590 /nfs/dbraw/zinc/37/75/90/881377590.db2.gz DVOLFANTSOZTLE-SJORKVTESA-N 2 2 377.960 3.797 20 0 GHADLP C[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[N@H+]1CCCC[C@H]1C ZINC000532193300 881377608 /nfs/dbraw/zinc/37/76/08/881377608.db2.gz DVOLFANTSOZTLE-SJORKVTESA-N 2 2 377.960 3.797 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000185650408 859110995 /nfs/dbraw/zinc/11/09/95/859110995.db2.gz OUBKFRYDJNPYIP-YXYSEUPNSA-N 2 2 378.582 3.542 20 0 GHADLP C[NH+](C)CCOc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000116815999 859174206 /nfs/dbraw/zinc/17/42/06/859174206.db2.gz AXQNWZXSHSOIOH-UHFFFAOYSA-N 2 2 384.867 3.718 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccc2ncsc2c1 ZINC000631115721 859195333 /nfs/dbraw/zinc/19/53/33/859195333.db2.gz YHISHIKJGLWPMS-KRWDZBQOSA-N 2 2 397.544 3.858 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]1 ZINC000483166244 859200068 /nfs/dbraw/zinc/20/00/68/859200068.db2.gz FBXUMPRGVQOFDG-XXBNENTESA-N 3 2 378.564 3.859 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]1 ZINC000483166244 859200073 /nfs/dbraw/zinc/20/00/73/859200073.db2.gz FBXUMPRGVQOFDG-XXBNENTESA-N 3 2 378.564 3.859 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)n1 ZINC000483166244 859200080 /nfs/dbraw/zinc/20/00/80/859200080.db2.gz FBXUMPRGVQOFDG-XXBNENTESA-N 2 2 378.564 3.859 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)n1 ZINC000483166244 859200086 /nfs/dbraw/zinc/20/00/86/859200086.db2.gz FBXUMPRGVQOFDG-XXBNENTESA-N 2 2 378.564 3.859 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1c(Cl)cccc1Cl ZINC000601476548 859287692 /nfs/dbraw/zinc/28/76/92/859287692.db2.gz FPBWMBFMXJPWKP-GOEBONIOSA-N 2 2 398.378 3.724 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1c(Cl)cccc1Cl ZINC000601476548 859287702 /nfs/dbraw/zinc/28/77/02/859287702.db2.gz FPBWMBFMXJPWKP-GOEBONIOSA-N 2 2 398.378 3.724 20 0 GHADLP Cc1cccc([C@H]([NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C(C)C)c1 ZINC000625984029 859290981 /nfs/dbraw/zinc/29/09/81/859290981.db2.gz IZNCNUPCGRSKML-XMMPIXPASA-N 2 2 395.547 3.753 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCCC[C@H]3c3ccccc3)CC2)CC1 ZINC000195343779 859375826 /nfs/dbraw/zinc/37/58/26/859375826.db2.gz PQHKEAGFNMIAEJ-QHCPKHFHSA-N 2 2 398.595 3.872 20 0 GHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000414890229 859465848 /nfs/dbraw/zinc/46/58/48/859465848.db2.gz HESPCFOETFVTDD-VABKMULXSA-N 2 2 384.495 3.619 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(Br)o3)CC2)cc1 ZINC000188726025 859466146 /nfs/dbraw/zinc/46/61/46/859466146.db2.gz QUTUWNZTFBKKBX-UHFFFAOYSA-N 2 2 378.314 3.867 20 0 GHADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000611276236 859678257 /nfs/dbraw/zinc/67/82/57/859678257.db2.gz GDBLDDAOWCRELB-QGZVFWFLSA-N 2 2 386.367 3.602 20 0 GHADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000611276236 859678260 /nfs/dbraw/zinc/67/82/60/859678260.db2.gz GDBLDDAOWCRELB-QGZVFWFLSA-N 2 2 386.367 3.602 20 0 GHADLP CC1CC[NH+]([C@H](CNC(=O)NCc2ccn3cc[nH+]c3c2)c2ccccc2)CC1 ZINC000474269146 859735121 /nfs/dbraw/zinc/73/51/21/859735121.db2.gz ZBLGPEDXBUIKJW-OAQYLSRUSA-N 2 2 391.519 3.607 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000484017443 859767666 /nfs/dbraw/zinc/76/76/66/859767666.db2.gz WBAHWVKJCNSVCI-FOIQADDNSA-N 2 2 377.891 3.753 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000484017443 859767670 /nfs/dbraw/zinc/76/76/70/859767670.db2.gz WBAHWVKJCNSVCI-FOIQADDNSA-N 2 2 377.891 3.753 20 0 GHADLP Cc1nn2c(C[NH2+][C@H](Cn3cc[nH+]c3)c3ccccc3)c(C(C)C)nc2s1 ZINC000895711610 859848656 /nfs/dbraw/zinc/84/86/56/859848656.db2.gz RGDSGNMSRMBIIO-QGZVFWFLSA-N 2 2 380.521 3.950 20 0 GHADLP CN(c1nc2ccccc2n2c[nH+]cc12)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000624266429 859908053 /nfs/dbraw/zinc/90/80/53/859908053.db2.gz NJFDUNJJYNJUAL-UHFFFAOYSA-N 2 2 377.414 3.736 20 0 GHADLP O=C(CCCn1cc[nH+]c1)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000727325290 860037950 /nfs/dbraw/zinc/03/79/50/860037950.db2.gz YJIBUNQUSGRFSQ-UHFFFAOYSA-N 2 2 397.523 3.507 20 0 GHADLP CN(C(=O)[C@H]1C[C@H]1C1CCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001127905296 860238322 /nfs/dbraw/zinc/23/83/22/860238322.db2.gz CJXCPNVPSJRSTP-KJJMTIBFSA-N 2 2 375.601 3.608 20 0 GHADLP CN(C(=O)[C@H]1C[C@H]1C1CCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001127905296 860238329 /nfs/dbraw/zinc/23/83/29/860238329.db2.gz CJXCPNVPSJRSTP-KJJMTIBFSA-N 2 2 375.601 3.608 20 0 GHADLP CN(C(=O)[C@@H]1C[C@@H]1C1CCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001127905298 860238738 /nfs/dbraw/zinc/23/87/38/860238738.db2.gz CJXCPNVPSJRSTP-YSFYHYPLSA-N 2 2 375.601 3.608 20 0 GHADLP CN(C(=O)[C@@H]1C[C@@H]1C1CCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001127905298 860238755 /nfs/dbraw/zinc/23/87/55/860238755.db2.gz CJXCPNVPSJRSTP-YSFYHYPLSA-N 2 2 375.601 3.608 20 0 GHADLP Cc1cc(C)c(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC001127906753 860239874 /nfs/dbraw/zinc/23/98/74/860239874.db2.gz VHRRKTXYUROREL-BJKOFHAPSA-N 2 2 399.623 3.950 20 0 GHADLP Cc1cc(C)c(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC001127906753 860239882 /nfs/dbraw/zinc/23/98/82/860239882.db2.gz VHRRKTXYUROREL-BJKOFHAPSA-N 2 2 399.623 3.950 20 0 GHADLP Fc1cccc(Br)c1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904475204 860466403 /nfs/dbraw/zinc/46/64/03/860466403.db2.gz ZMFUACAEJCSVSO-PKOBYXMFSA-N 2 2 391.284 3.934 20 0 GHADLP Cc1cccnc1N1CC[NH+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168039511 860534147 /nfs/dbraw/zinc/53/41/47/860534147.db2.gz GGOHAWHHMWBGPS-SFTDATJTSA-N 2 2 378.564 3.954 20 0 GHADLP CCc1noc([C@@H]2CC[C@@H]([NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)C2)n1 ZINC000922871234 860701707 /nfs/dbraw/zinc/70/17/07/860701707.db2.gz WIOQNCICWAWPSN-SJLPKXTDSA-N 2 2 383.540 3.593 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000098093625 860717243 /nfs/dbraw/zinc/71/72/43/860717243.db2.gz KOSPFWQBCFRPSQ-QFIPXVFZSA-N 2 2 392.547 3.600 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000098093625 860717251 /nfs/dbraw/zinc/71/72/51/860717251.db2.gz KOSPFWQBCFRPSQ-QFIPXVFZSA-N 2 2 392.547 3.600 20 0 GHADLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2C[C@@H](C)C[C@@H]2CC)c1=S ZINC000072918458 860941067 /nfs/dbraw/zinc/94/10/67/860941067.db2.gz RGRJIXDGEVINEG-ROUUACIJSA-N 2 2 377.602 3.706 20 0 GHADLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2C[C@@H](C)C[C@@H]2CC)c1=S ZINC000072918458 860941077 /nfs/dbraw/zinc/94/10/77/860941077.db2.gz RGRJIXDGEVINEG-ROUUACIJSA-N 2 2 377.602 3.706 20 0 GHADLP C[C@H](C[NH2+]Cc1ccc(Br)c(Br)c1)Cn1cc[nH+]c1 ZINC000176593781 860976246 /nfs/dbraw/zinc/97/62/46/860976246.db2.gz PXIWZANGSKAWSD-LLVKDONJSA-N 2 2 387.119 3.834 20 0 GHADLP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192841270 860977791 /nfs/dbraw/zinc/97/77/91/860977791.db2.gz RHCRSAHRZJKMSL-OAHLLOKOSA-N 2 2 389.908 3.650 20 0 GHADLP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000120492347 881604180 /nfs/dbraw/zinc/60/41/80/881604180.db2.gz CJJQNGKPZQYTAD-SFTDATJTSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000120492347 881604190 /nfs/dbraw/zinc/60/41/90/881604190.db2.gz CJJQNGKPZQYTAD-SFTDATJTSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)ncc1Br ZINC000623435889 861065335 /nfs/dbraw/zinc/06/53/35/861065335.db2.gz VWJLXQBXLIOILS-GOSISDBHSA-N 2 2 385.309 3.960 20 0 GHADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cc1OCCCO ZINC000623529472 861162605 /nfs/dbraw/zinc/16/26/05/861162605.db2.gz JULLFKZPQMQRQN-ZBFHGGJFSA-N 2 2 399.373 3.734 20 0 GHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cc1OCCCO ZINC000623529472 861162607 /nfs/dbraw/zinc/16/26/07/861162607.db2.gz JULLFKZPQMQRQN-ZBFHGGJFSA-N 2 2 399.373 3.734 20 0 GHADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001170418757 881630719 /nfs/dbraw/zinc/63/07/19/881630719.db2.gz ZYRSTHNRHIGSTB-DLBZAZTESA-N 2 2 391.309 3.789 20 0 GHADLP COc1ccc2c(c1)C[NH+](CC(C)C[N@H+]1CCc3ccc(OC)cc3C1)CC2 ZINC000605575556 863157646 /nfs/dbraw/zinc/15/76/46/863157646.db2.gz LSLINJZTYVGIGU-UHFFFAOYSA-N 2 2 380.532 3.756 20 0 GHADLP COc1ccc2c(c1)C[NH+](CC(C)C[N@@H+]1CCc3ccc(OC)cc3C1)CC2 ZINC000605575556 863157660 /nfs/dbraw/zinc/15/76/60/863157660.db2.gz LSLINJZTYVGIGU-UHFFFAOYSA-N 2 2 380.532 3.756 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000281687114 863325724 /nfs/dbraw/zinc/32/57/24/863325724.db2.gz RXBCLRIEHCVTAQ-QFIPXVFZSA-N 2 2 384.524 3.668 20 0 GHADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H](CCSc1ccc(F)cc1)c1ccc(F)cc1 ZINC000482616372 863387683 /nfs/dbraw/zinc/38/76/83/863387683.db2.gz ABJWESHSERTSMH-QUCCMNQESA-N 2 2 380.504 3.700 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 ZINC000183148393 863487374 /nfs/dbraw/zinc/48/73/74/863487374.db2.gz YPWAYROBBRZTNE-OYHNWAKOSA-N 2 2 392.478 3.990 20 0 GHADLP C[C@@H]1CC(N2CC[NH+](Cc3ccncc3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168050939 863523709 /nfs/dbraw/zinc/52/37/09/863523709.db2.gz DNUCCMKWRBBRSZ-NHCUHLMSSA-N 2 2 378.564 3.641 20 0 GHADLP CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccc4[nH+]c(C)cn4c3)c(C)c2)CC1 ZINC000606568877 863711956 /nfs/dbraw/zinc/71/19/56/863711956.db2.gz FLGDUTASVICIKY-UHFFFAOYSA-N 2 2 392.507 3.737 20 0 GHADLP C[NH+](C)CCN(CC1CCCCC1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000606692569 863783537 /nfs/dbraw/zinc/78/35/37/863783537.db2.gz XZLUBTNIPRSAOU-UHFFFAOYSA-N 2 2 383.540 3.526 20 0 GHADLP Cc1ccc(CNC(=O)c2cccc(C[NH2+]C3CC[NH+](C(C)C)CC3)c2)cc1 ZINC000158715338 863926883 /nfs/dbraw/zinc/92/68/83/863926883.db2.gz XRPZTFSIVPLYJR-UHFFFAOYSA-N 2 2 379.548 3.887 20 0 GHADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158947103 863995378 /nfs/dbraw/zinc/99/53/78/863995378.db2.gz VBGSRDMKQVAJGE-XLIONFOSSA-N 2 2 387.593 3.786 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000480097487 864054248 /nfs/dbraw/zinc/05/42/48/864054248.db2.gz XXZBDDMFDQTSHT-PCCBWWKXSA-N 2 2 377.573 3.533 20 0 GHADLP CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000480097487 864054262 /nfs/dbraw/zinc/05/42/62/864054262.db2.gz XXZBDDMFDQTSHT-PCCBWWKXSA-N 2 2 377.573 3.533 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@@H](C)C1 ZINC000480097487 864054273 /nfs/dbraw/zinc/05/42/73/864054273.db2.gz XXZBDDMFDQTSHT-PCCBWWKXSA-N 2 2 377.573 3.533 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@@H](C)C1 ZINC000480097487 864054286 /nfs/dbraw/zinc/05/42/86/864054286.db2.gz XXZBDDMFDQTSHT-PCCBWWKXSA-N 2 2 377.573 3.533 20 0 GHADLP O[C@H](c1ccccc1)C1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000792862508 881732062 /nfs/dbraw/zinc/73/20/62/881732062.db2.gz LLNJBKYJBHYDSI-JWQCQUIFSA-N 2 2 394.559 3.723 20 0 GHADLP O[C@H](c1ccccc1)C1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000792862508 881732071 /nfs/dbraw/zinc/73/20/71/881732071.db2.gz LLNJBKYJBHYDSI-JWQCQUIFSA-N 2 2 394.559 3.723 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(OC(F)F)cc1 ZINC000163746200 864560464 /nfs/dbraw/zinc/56/04/64/864560464.db2.gz HMZNIZBIEWSEHH-INIZCTEOSA-N 2 2 376.447 3.971 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCNc1cccc[nH+]1 ZINC000163786553 864565500 /nfs/dbraw/zinc/56/55/00/864565500.db2.gz FMRULTRNMHBUKA-CQSZACIVSA-N 2 2 391.313 3.653 20 0 GHADLP O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000494490600 881787536 /nfs/dbraw/zinc/78/75/36/881787536.db2.gz YNYPRCOKWIEEFH-SFTDATJTSA-N 2 2 395.572 3.591 20 0 GHADLP O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000494490600 881787546 /nfs/dbraw/zinc/78/75/46/881787546.db2.gz YNYPRCOKWIEEFH-SFTDATJTSA-N 2 2 395.572 3.591 20 0 GHADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000494490600 881787559 /nfs/dbraw/zinc/78/75/59/881787559.db2.gz YNYPRCOKWIEEFH-SFTDATJTSA-N 2 2 395.572 3.591 20 0 GHADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000494490600 881787568 /nfs/dbraw/zinc/78/75/68/881787568.db2.gz YNYPRCOKWIEEFH-SFTDATJTSA-N 2 2 395.572 3.591 20 0 GHADLP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c2ccccc2C1 ZINC000494491235 881790260 /nfs/dbraw/zinc/79/02/60/881790260.db2.gz ZTIUINFHJPNOLH-HOYKHHGWSA-N 2 2 392.547 3.690 20 0 GHADLP c1nc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n(-c2ccccc2)n1 ZINC000475268929 864687384 /nfs/dbraw/zinc/68/73/84/864687384.db2.gz LNNAWUKBJMVGLF-MDNUFGMLSA-N 2 2 387.531 3.658 20 0 GHADLP c1nc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n(-c2ccccc2)n1 ZINC000475268929 864687393 /nfs/dbraw/zinc/68/73/93/864687393.db2.gz LNNAWUKBJMVGLF-MDNUFGMLSA-N 2 2 387.531 3.658 20 0 GHADLP c1nc(-c2ccccn2)sc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475336540 864807528 /nfs/dbraw/zinc/80/75/28/864807528.db2.gz SPXOYLRUEDZRMU-KDURUIRLSA-N 2 2 376.529 3.769 20 0 GHADLP c1nc(-c2ccccn2)sc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475336540 864807549 /nfs/dbraw/zinc/80/75/49/864807549.db2.gz SPXOYLRUEDZRMU-KDURUIRLSA-N 2 2 376.529 3.769 20 0 GHADLP c1nc(-c2ccccn2)sc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475336540 864807557 /nfs/dbraw/zinc/80/75/57/864807557.db2.gz SPXOYLRUEDZRMU-KDURUIRLSA-N 2 2 376.529 3.769 20 0 GHADLP c1nc(-c2ccccn2)sc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475336540 864807571 /nfs/dbraw/zinc/80/75/71/864807571.db2.gz SPXOYLRUEDZRMU-KDURUIRLSA-N 2 2 376.529 3.769 20 0 GHADLP CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)Cn1nccc1-c1cccnc1 ZINC000173550030 864867314 /nfs/dbraw/zinc/86/73/14/864867314.db2.gz BSONSEVFLOJFHX-OAQYLSRUSA-N 2 2 375.520 3.747 20 0 GHADLP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)Cn1nccc1-c1cccnc1 ZINC000173550030 864867325 /nfs/dbraw/zinc/86/73/25/864867325.db2.gz BSONSEVFLOJFHX-OAQYLSRUSA-N 2 2 375.520 3.747 20 0 GHADLP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)Cn1nccc1-c1cccnc1 ZINC000173550030 864867337 /nfs/dbraw/zinc/86/73/37/864867337.db2.gz BSONSEVFLOJFHX-OAQYLSRUSA-N 2 2 375.520 3.747 20 0 GHADLP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1nccc1-c1cccnc1 ZINC000173550030 864867351 /nfs/dbraw/zinc/86/73/51/864867351.db2.gz BSONSEVFLOJFHX-OAQYLSRUSA-N 2 2 375.520 3.747 20 0 GHADLP COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000608073018 864963850 /nfs/dbraw/zinc/96/38/50/864963850.db2.gz MCQJVWVNJFMJDJ-MRXNPFEDSA-N 2 2 396.491 3.536 20 0 GHADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c[nH+]1 ZINC000897256769 864987336 /nfs/dbraw/zinc/98/73/36/864987336.db2.gz KZBDURZPMGDDLO-CRAIPNDOSA-N 2 2 392.906 3.528 20 0 GHADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c[nH+]1 ZINC000897256769 864987343 /nfs/dbraw/zinc/98/73/43/864987343.db2.gz KZBDURZPMGDDLO-CRAIPNDOSA-N 2 2 392.906 3.528 20 0 GHADLP FC(F)(F)c1ccc(-n2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cn2)cc1 ZINC000554854897 865049571 /nfs/dbraw/zinc/04/95/71/865049571.db2.gz DVOWMHKRXYNYHR-UHFFFAOYSA-N 2 2 375.398 3.994 20 0 GHADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3ccccc3-n3cc[nH+]c3)ccc21 ZINC000455950485 865058110 /nfs/dbraw/zinc/05/81/10/865058110.db2.gz ZLVKXHITOYZHPI-NRFANRHFSA-N 2 2 375.476 3.743 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608205182 865096503 /nfs/dbraw/zinc/09/65/03/865096503.db2.gz AITFCXQFXRXZQY-QFIPXVFZSA-N 2 2 390.531 3.976 20 0 GHADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000480699770 865134548 /nfs/dbraw/zinc/13/45/48/865134548.db2.gz QNIINVRGYRKIQQ-XQBPLPMBSA-N 2 2 392.609 3.790 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000667735356 865140283 /nfs/dbraw/zinc/14/02/83/865140283.db2.gz RCQNVDQTOFYWFK-IEBWSBKVSA-N 2 2 392.425 3.520 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000667735356 865140286 /nfs/dbraw/zinc/14/02/86/865140286.db2.gz RCQNVDQTOFYWFK-IEBWSBKVSA-N 2 2 392.425 3.520 20 0 GHADLP C[C@@H]([NH2+]CCCNc1ccc(C(F)(F)F)cn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480778535 865252006 /nfs/dbraw/zinc/25/20/06/865252006.db2.gz IBTUKDBKRPZLBS-OAHLLOKOSA-N 2 2 389.425 3.861 20 0 GHADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000494529157 881854385 /nfs/dbraw/zinc/85/43/85/881854385.db2.gz GWCWAGUEISQTNJ-CEMLEFRQSA-N 2 2 395.551 3.675 20 0 GHADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000494529157 881854393 /nfs/dbraw/zinc/85/43/93/881854393.db2.gz GWCWAGUEISQTNJ-CEMLEFRQSA-N 2 2 395.551 3.675 20 0 GHADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc3ccccc3C1)CCCO2 ZINC000480790931 865280028 /nfs/dbraw/zinc/28/00/28/865280028.db2.gz WTAXQUMBDSUNER-GGAORHGYSA-N 2 2 380.532 3.526 20 0 GHADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc3ccccc3C1)CCCO2 ZINC000480790931 865280033 /nfs/dbraw/zinc/28/00/33/865280033.db2.gz WTAXQUMBDSUNER-GGAORHGYSA-N 2 2 380.532 3.526 20 0 GHADLP [NH3+]C1(Cc2ccc(C(F)(F)F)cc2)CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168364612 865356141 /nfs/dbraw/zinc/35/61/41/865356141.db2.gz FSDGLGMEYWUIPC-UHFFFAOYSA-N 3 2 395.513 3.916 20 0 GHADLP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000301875071 865580995 /nfs/dbraw/zinc/58/09/95/865580995.db2.gz MFGIWCDAQRYYPV-SFHVURJKSA-N 2 2 397.519 3.694 20 0 GHADLP COCCc1ccc(OC[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000667801395 865675261 /nfs/dbraw/zinc/67/52/61/865675261.db2.gz GYWUCHYXKOKHLH-QGZVFWFLSA-N 2 2 383.467 3.757 20 0 GHADLP Cc1cc([C@@H](C)NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)s1 ZINC000173871882 865851765 /nfs/dbraw/zinc/85/17/65/865851765.db2.gz IJDLCRVCENRBQM-QGZVFWFLSA-N 2 2 392.613 3.675 20 0 GHADLP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000481169494 865912123 /nfs/dbraw/zinc/91/21/23/865912123.db2.gz CDYSYQRJPMMGDY-QPXQOZNCSA-N 2 2 397.538 3.892 20 0 GHADLP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000481169494 865912129 /nfs/dbraw/zinc/91/21/29/865912129.db2.gz CDYSYQRJPMMGDY-QPXQOZNCSA-N 2 2 397.538 3.892 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000481177117 865928885 /nfs/dbraw/zinc/92/88/85/865928885.db2.gz ZARXFWKMSGNPPX-BEFAXECRSA-N 2 2 389.902 3.918 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000481177117 865928892 /nfs/dbraw/zinc/92/88/92/865928892.db2.gz ZARXFWKMSGNPPX-BEFAXECRSA-N 2 2 389.902 3.918 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(F)c1 ZINC000481178644 865934879 /nfs/dbraw/zinc/93/48/79/865934879.db2.gz SPIQKXGLQCTTAW-WFXMLNOXSA-N 2 2 383.511 3.961 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(F)c1 ZINC000481178644 865934892 /nfs/dbraw/zinc/93/48/92/865934892.db2.gz SPIQKXGLQCTTAW-WFXMLNOXSA-N 2 2 383.511 3.961 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(OC)cc1 ZINC000481180194 865937522 /nfs/dbraw/zinc/93/75/22/865937522.db2.gz JVFMJQAZLUDRNH-TZYHBYERSA-N 2 2 395.547 3.913 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(OC)cc1 ZINC000481180194 865937529 /nfs/dbraw/zinc/93/75/29/865937529.db2.gz JVFMJQAZLUDRNH-TZYHBYERSA-N 2 2 395.547 3.913 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(OC)cc1 ZINC000481180192 865937815 /nfs/dbraw/zinc/93/78/15/865937815.db2.gz JVFMJQAZLUDRNH-LEOXJPRUSA-N 2 2 395.547 3.913 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(OC)cc1 ZINC000481180192 865937826 /nfs/dbraw/zinc/93/78/26/865937826.db2.gz JVFMJQAZLUDRNH-LEOXJPRUSA-N 2 2 395.547 3.913 20 0 GHADLP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481188916 865970004 /nfs/dbraw/zinc/97/00/04/865970004.db2.gz LKLBKNILYYYLEG-IUKKYPGJSA-N 2 2 393.531 3.716 20 0 GHADLP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481188916 865970011 /nfs/dbraw/zinc/97/00/11/865970011.db2.gz LKLBKNILYYYLEG-IUKKYPGJSA-N 2 2 393.531 3.716 20 0 GHADLP C[N@H+](CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000478545061 866229268 /nfs/dbraw/zinc/22/92/68/866229268.db2.gz VXMQZXHEZRUSKJ-FQEVSTJZSA-N 2 2 375.532 3.561 20 0 GHADLP C[N@@H+](CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000478545061 866229283 /nfs/dbraw/zinc/22/92/83/866229283.db2.gz VXMQZXHEZRUSKJ-FQEVSTJZSA-N 2 2 375.532 3.561 20 0 GHADLP C[C@@H]1CCC[C@H](CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000534359823 866645602 /nfs/dbraw/zinc/64/56/02/866645602.db2.gz JCOVLBQIQLNZHZ-KIZRIRGWSA-N 2 2 377.617 3.998 20 0 GHADLP C[C@@H]1CCC[C@H](CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000534359823 866645604 /nfs/dbraw/zinc/64/56/04/866645604.db2.gz JCOVLBQIQLNZHZ-KIZRIRGWSA-N 2 2 377.617 3.998 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)c1C ZINC000857085108 882001524 /nfs/dbraw/zinc/00/15/24/882001524.db2.gz CGOHHJCEQFZPGQ-FQEVSTJZSA-N 2 2 381.520 3.788 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)c1C ZINC000857085108 882001544 /nfs/dbraw/zinc/00/15/44/882001544.db2.gz CGOHHJCEQFZPGQ-FQEVSTJZSA-N 2 2 381.520 3.788 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000741707193 866743318 /nfs/dbraw/zinc/74/33/18/866743318.db2.gz MSEQRELNWCBUPD-UHFFFAOYSA-N 2 2 380.492 3.513 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000741707193 866743330 /nfs/dbraw/zinc/74/33/30/866743330.db2.gz MSEQRELNWCBUPD-UHFFFAOYSA-N 2 2 380.492 3.513 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153635378 866996626 /nfs/dbraw/zinc/99/66/26/866996626.db2.gz HGEJKUAPGAVOHB-KRWDZBQOSA-N 3 2 382.483 3.803 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000153897410 867141145 /nfs/dbraw/zinc/14/11/45/867141145.db2.gz IENNBZMIEFOIFS-GCJKJVERSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000153897410 867141150 /nfs/dbraw/zinc/14/11/50/867141150.db2.gz IENNBZMIEFOIFS-GCJKJVERSA-N 2 2 380.536 3.798 20 0 GHADLP COc1cc2c(cc1C[NH2+]C1CCN(c3ccc([NH+](C)C)cc3)CC1)O[C@@H](C)C2 ZINC000742378751 867270113 /nfs/dbraw/zinc/27/01/13/867270113.db2.gz XZGGDTOCOXVUMP-KRWDZBQOSA-N 2 2 395.547 3.843 20 0 GHADLP CC(C)C[C@H]1CCCCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000154330704 867356889 /nfs/dbraw/zinc/35/68/89/867356889.db2.gz HBQWJQZDJHNIAX-OAQYLSRUSA-N 2 2 378.605 3.545 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000553465533 867498867 /nfs/dbraw/zinc/49/88/67/867498867.db2.gz FCFRWQRFTZLWMA-FGZHOGPDSA-N 2 2 388.515 3.713 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000553465533 867498872 /nfs/dbraw/zinc/49/88/72/867498872.db2.gz FCFRWQRFTZLWMA-FGZHOGPDSA-N 2 2 388.515 3.713 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(Br)c1 ZINC000920425520 882103838 /nfs/dbraw/zinc/10/38/38/882103838.db2.gz LREOBHICCQSWQZ-GOSISDBHSA-N 2 2 390.256 3.597 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)NCCCn1cc[nH+]c1C)c1cccc(C(F)(F)F)c1 ZINC000523681584 867768640 /nfs/dbraw/zinc/76/86/40/867768640.db2.gz GSESADHFYBSXJS-GOSISDBHSA-N 2 2 396.457 3.800 20 0 GHADLP CN(C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097481 868164002 /nfs/dbraw/zinc/16/40/02/868164002.db2.gz SRKPGMHWYFCWPQ-FCHUYYIVSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097481 868164013 /nfs/dbraw/zinc/16/40/13/868164013.db2.gz SRKPGMHWYFCWPQ-FCHUYYIVSA-N 2 2 382.552 3.577 20 0 GHADLP C[C@H]1CC[C@H](NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000535118422 868201891 /nfs/dbraw/zinc/20/18/91/868201891.db2.gz VMPZWPYPEYUOBX-UKAVVXHISA-N 2 2 378.605 3.544 20 0 GHADLP C[C@H]1CC[C@H](NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000535118422 868201908 /nfs/dbraw/zinc/20/19/08/868201908.db2.gz VMPZWPYPEYUOBX-UKAVVXHISA-N 2 2 378.605 3.544 20 0 GHADLP CN(C(=O)c1cnc2ccccc2c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000457655674 868583406 /nfs/dbraw/zinc/58/34/06/868583406.db2.gz BSNHLTGFLDAAFL-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cnc2ccccc2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000457655674 868583412 /nfs/dbraw/zinc/58/34/12/868583412.db2.gz BSNHLTGFLDAAFL-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cnc2ccccc2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000457655653 868583652 /nfs/dbraw/zinc/58/36/52/868583652.db2.gz BSNHLTGFLDAAFL-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cnc2ccccc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000457655653 868583654 /nfs/dbraw/zinc/58/36/54/868583654.db2.gz BSNHLTGFLDAAFL-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP CCC[NH+]1CCC([NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000157328311 868626020 /nfs/dbraw/zinc/62/60/20/868626020.db2.gz DQSAVUJMINIWSC-LJQANCHMSA-N 2 2 397.485 3.833 20 0 GHADLP C[C@H](c1nnc(SCC[NH+]2CCC(C)CC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000158217505 868898540 /nfs/dbraw/zinc/89/85/40/868898540.db2.gz AHPUSPHTABFKBR-MRXNPFEDSA-N 2 2 391.560 3.853 20 0 GHADLP Brc1cc(Br)cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000394567171 882255554 /nfs/dbraw/zinc/25/55/54/882255554.db2.gz LTGNSBWDYNFVAX-GJZGRUSLSA-N 2 2 388.147 3.928 20 0 GHADLP Brc1cc(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000394567171 882255568 /nfs/dbraw/zinc/25/55/68/882255568.db2.gz LTGNSBWDYNFVAX-GJZGRUSLSA-N 2 2 388.147 3.928 20 0 GHADLP CC1CC[NH+](Cc2ccc(CNc3cc(N4CCSCC4)nc[nH+]3)cc2)CC1 ZINC000525127057 870028789 /nfs/dbraw/zinc/02/87/89/870028789.db2.gz IIYBMKDQJVXINT-UHFFFAOYSA-N 2 2 397.592 3.874 20 0 GHADLP CC1CC[NH+](Cc2ccc(CNc3cc(N4CCSCC4)[nH+]cn3)cc2)CC1 ZINC000525127057 870028800 /nfs/dbraw/zinc/02/88/00/870028800.db2.gz IIYBMKDQJVXINT-UHFFFAOYSA-N 2 2 397.592 3.874 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)CC2)cc1 ZINC000462800102 870115877 /nfs/dbraw/zinc/11/58/77/870115877.db2.gz CFLIBGBEEJQUAO-DSNGMDLFSA-N 2 2 399.623 3.769 20 0 GHADLP Cc1cn2cc(NC(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000525236569 870228532 /nfs/dbraw/zinc/22/85/32/870228532.db2.gz QBLNZMCRJSAIMR-IBGZPJMESA-N 2 2 377.492 3.629 20 0 GHADLP Cc1cn2cc(NC(=O)N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000525236569 870228541 /nfs/dbraw/zinc/22/85/41/870228541.db2.gz QBLNZMCRJSAIMR-IBGZPJMESA-N 2 2 377.492 3.629 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000248171473 870308631 /nfs/dbraw/zinc/30/86/31/870308631.db2.gz UVYGOPAEQCTYGF-KBXCAEBGSA-N 2 2 394.350 3.696 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000248171473 870308641 /nfs/dbraw/zinc/30/86/41/870308641.db2.gz UVYGOPAEQCTYGF-KBXCAEBGSA-N 2 2 394.350 3.696 20 0 GHADLP COc1ccc([C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000248744111 870617535 /nfs/dbraw/zinc/61/75/35/870617535.db2.gz RIKHPZRHZHMYDM-WGMWDUQUSA-N 2 2 386.536 3.751 20 0 GHADLP COc1ccc([C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000248744111 870617538 /nfs/dbraw/zinc/61/75/38/870617538.db2.gz RIKHPZRHZHMYDM-WGMWDUQUSA-N 2 2 386.536 3.751 20 0 GHADLP COc1ccc([C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000248744111 870617544 /nfs/dbraw/zinc/61/75/44/870617544.db2.gz RIKHPZRHZHMYDM-WGMWDUQUSA-N 2 2 386.536 3.751 20 0 GHADLP COc1ccc([C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000248744111 870617552 /nfs/dbraw/zinc/61/75/52/870617552.db2.gz RIKHPZRHZHMYDM-WGMWDUQUSA-N 2 2 386.536 3.751 20 0 GHADLP CCCOc1c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cccc1OCC ZINC000538799283 870630258 /nfs/dbraw/zinc/63/02/58/870630258.db2.gz XICQXOICUUNIES-SFHLNBCPSA-N 2 2 376.541 3.558 20 0 GHADLP CCCOc1c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cccc1OCC ZINC000538799283 870630267 /nfs/dbraw/zinc/63/02/67/870630267.db2.gz XICQXOICUUNIES-SFHLNBCPSA-N 2 2 376.541 3.558 20 0 GHADLP C[C@@H]1[C@H](C)N(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)CC[N@H+]1C ZINC000538929863 870908200 /nfs/dbraw/zinc/90/82/00/870908200.db2.gz ZVUSKIPWUXJBRJ-CVEARBPZSA-N 2 2 395.576 3.949 20 0 GHADLP C[C@@H]1[C@H](C)N(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)CC[N@@H+]1C ZINC000538929863 870908208 /nfs/dbraw/zinc/90/82/08/870908208.db2.gz ZVUSKIPWUXJBRJ-CVEARBPZSA-N 2 2 395.576 3.949 20 0 GHADLP CCCc1ccc(-c2csc(NC(=O)C[N@H+](C)CCCn3cc[nH+]c3)n2)cc1 ZINC000540321163 870973597 /nfs/dbraw/zinc/97/35/97/870973597.db2.gz PNAXGWJVUSMNAH-UHFFFAOYSA-N 2 2 397.548 3.920 20 0 GHADLP CCCc1ccc(-c2csc(NC(=O)C[N@@H+](C)CCCn3cc[nH+]c3)n2)cc1 ZINC000540321163 870973607 /nfs/dbraw/zinc/97/36/07/870973607.db2.gz PNAXGWJVUSMNAH-UHFFFAOYSA-N 2 2 397.548 3.920 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cc(C)ccc1OC ZINC000538984787 871048626 /nfs/dbraw/zinc/04/86/26/871048626.db2.gz CKTPDOKSOHPJBX-ACIOBRDBSA-N 2 2 382.548 3.927 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cc(C)ccc1OC ZINC000538984787 871048653 /nfs/dbraw/zinc/04/86/53/871048653.db2.gz CKTPDOKSOHPJBX-ACIOBRDBSA-N 2 2 382.548 3.927 20 0 GHADLP CC(C)C[C@@H](Cc1ccccc1)[NH2+]C1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001169062078 871148279 /nfs/dbraw/zinc/14/82/79/871148279.db2.gz QOPVSRPKMZUDIE-QHCPKHFHSA-N 2 2 393.575 3.754 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539085470 871232381 /nfs/dbraw/zinc/23/23/81/871232381.db2.gz OHDBLDGJIXFCTE-HQAQVQPGSA-N 2 2 386.499 3.680 20 0 GHADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)N1Cc2ccccc2C1 ZINC000463243288 871249593 /nfs/dbraw/zinc/24/95/93/871249593.db2.gz NYPWYDYBLYOYAQ-PWHSHALESA-N 2 2 377.532 3.560 20 0 GHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)N1Cc2ccccc2C1 ZINC000463243288 871249619 /nfs/dbraw/zinc/24/96/19/871249619.db2.gz NYPWYDYBLYOYAQ-PWHSHALESA-N 2 2 377.532 3.560 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)N1Cc2ccccc2C1 ZINC000463242739 871252011 /nfs/dbraw/zinc/25/20/11/871252011.db2.gz NYPWYDYBLYOYAQ-SELNLUPBSA-N 2 2 377.532 3.560 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)N1Cc2ccccc2C1 ZINC000463242739 871252028 /nfs/dbraw/zinc/25/20/28/871252028.db2.gz NYPWYDYBLYOYAQ-SELNLUPBSA-N 2 2 377.532 3.560 20 0 GHADLP Cc1ccc([C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C2CC2)cc1 ZINC000091308495 871272296 /nfs/dbraw/zinc/27/22/96/871272296.db2.gz SFTQIYALUHJTLP-XMMPIXPASA-N 2 2 380.532 3.947 20 0 GHADLP OC[C@@]1([NH2+]CCC[NH+]2CCC(Cc3ccccc3)CC2)CCOc2ccccc21 ZINC001193772848 871273594 /nfs/dbraw/zinc/27/35/94/871273594.db2.gz LXAFXWKISQOYRV-VWLOTQADSA-N 2 2 394.559 3.591 20 0 GHADLP C[NH+]1CCN(c2ccc([NH2+]C3CCN(c4ncccc4Cl)CC3)cc2)CC1 ZINC001169170452 871295916 /nfs/dbraw/zinc/29/59/16/871295916.db2.gz YXNJIGKIZCPBJW-UHFFFAOYSA-N 2 2 385.943 3.568 20 0 GHADLP C[C@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)[N@H+](C)C1CC1 ZINC000191511047 882497813 /nfs/dbraw/zinc/49/78/13/882497813.db2.gz QUPMNRRANRPJBQ-KUHUBIRLSA-N 2 2 381.358 3.989 20 0 GHADLP C[C@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)[N@@H+](C)C1CC1 ZINC000191511047 882497819 /nfs/dbraw/zinc/49/78/19/882497819.db2.gz QUPMNRRANRPJBQ-KUHUBIRLSA-N 2 2 381.358 3.989 20 0 GHADLP O=C(OC1CCC(N(c2cccc[nH+]2)C2CC[NH2+]CC2)CC1)c1ccccc1 ZINC001169305299 871400196 /nfs/dbraw/zinc/40/01/96/871400196.db2.gz FTKMJYGTUZWZRZ-UHFFFAOYSA-N 2 2 379.504 3.808 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)c(C)c1 ZINC000540507169 871443321 /nfs/dbraw/zinc/44/33/21/871443321.db2.gz YKTTUIHACSVYOL-SIKLNZKXSA-N 2 2 397.544 3.693 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(N[C@@H](CCO)c3cccc4ccccc43)c2)C1 ZINC001169423667 871480106 /nfs/dbraw/zinc/48/01/06/871480106.db2.gz HUVKWPCZOZSEAE-YKSBVNFPSA-N 2 2 375.516 3.908 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(N[C@@H](CCO)c3cccc4ccccc43)c2)C1 ZINC001169423667 871480111 /nfs/dbraw/zinc/48/01/11/871480111.db2.gz HUVKWPCZOZSEAE-YKSBVNFPSA-N 2 2 375.516 3.908 20 0 GHADLP CN(C)C(=O)O[C@H]1CC[N@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001194541605 871780747 /nfs/dbraw/zinc/78/07/47/871780747.db2.gz JLVXSJMNPNEYDI-PKTZIBPZSA-N 2 2 395.547 3.675 20 0 GHADLP CN(C)C(=O)O[C@H]1CC[N@@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001194541605 871780754 /nfs/dbraw/zinc/78/07/54/871780754.db2.gz JLVXSJMNPNEYDI-PKTZIBPZSA-N 2 2 395.547 3.675 20 0 GHADLP CN(C)C(=O)O[C@H]1CC[NH+](C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001194541605 871780760 /nfs/dbraw/zinc/78/07/60/871780760.db2.gz JLVXSJMNPNEYDI-PKTZIBPZSA-N 2 2 395.547 3.675 20 0 GHADLP CN(C)C(=O)O[C@H]1CC[NH+](C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001194541605 871780764 /nfs/dbraw/zinc/78/07/64/871780764.db2.gz JLVXSJMNPNEYDI-PKTZIBPZSA-N 2 2 395.547 3.675 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCCC34CCOCC4)CC2)cc1 ZINC001169746386 871818992 /nfs/dbraw/zinc/81/89/92/871818992.db2.gz ZFXKGZVRTZOXJJ-OAQYLSRUSA-N 2 2 391.987 3.791 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000525979812 871849217 /nfs/dbraw/zinc/84/92/17/871849217.db2.gz DZXGXNQQHXTSHQ-FQEVSTJZSA-N 2 2 394.563 3.940 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000525979812 871849236 /nfs/dbraw/zinc/84/92/36/871849236.db2.gz DZXGXNQQHXTSHQ-FQEVSTJZSA-N 2 2 394.563 3.940 20 0 GHADLP CCCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC001194715452 871912753 /nfs/dbraw/zinc/91/27/53/871912753.db2.gz ORGAUQKKAZXJCD-RTWAWAEBSA-N 2 2 386.584 3.801 20 0 GHADLP CCCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC001194715452 871912766 /nfs/dbraw/zinc/91/27/66/871912766.db2.gz ORGAUQKKAZXJCD-RTWAWAEBSA-N 2 2 386.584 3.801 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn(Cc3ccccc3)nn2)CC1 ZINC000775615681 871968580 /nfs/dbraw/zinc/96/85/80/871968580.db2.gz ISLWIJJGUXBPST-FQEVSTJZSA-N 2 2 381.568 3.803 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(Cc3ccccc3)nn2)CC1 ZINC000775615681 871968581 /nfs/dbraw/zinc/96/85/81/871968581.db2.gz ISLWIJJGUXBPST-FQEVSTJZSA-N 2 2 381.568 3.803 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540778666 872143113 /nfs/dbraw/zinc/14/31/13/872143113.db2.gz NMOCIAYQPKAQTE-RTWAWAEBSA-N 2 2 397.966 3.703 20 0 GHADLP C[N@H+](CCCO)C1CC[NH+](Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000093412974 872162665 /nfs/dbraw/zinc/16/26/65/872162665.db2.gz ZRTKYRIAQHBMLO-UHFFFAOYSA-N 2 2 386.511 3.683 20 0 GHADLP C[N@@H+](CCCO)C1CC[NH+](Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000093412974 872162668 /nfs/dbraw/zinc/16/26/68/872162668.db2.gz ZRTKYRIAQHBMLO-UHFFFAOYSA-N 2 2 386.511 3.683 20 0 GHADLP C[NH+]1CCC(CCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000463709311 872377099 /nfs/dbraw/zinc/37/70/99/872377099.db2.gz UFFLABAEOVSDRC-UHFFFAOYSA-N 2 2 381.524 3.740 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1CCC([NH+]3CCC(C)CC3)CC1)C2 ZINC000527002002 872406399 /nfs/dbraw/zinc/40/63/99/872406399.db2.gz DTUNPOZDYNNUPY-LMDPOFIKSA-N 2 2 386.584 3.797 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1CCC([NH+]3CCC(C)CC3)CC1)CC2 ZINC000527002002 872406405 /nfs/dbraw/zinc/40/64/05/872406405.db2.gz DTUNPOZDYNNUPY-LMDPOFIKSA-N 2 2 386.584 3.797 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[N@H+](CC3CCCCC3)CC1)C2 ZINC000526986685 872422415 /nfs/dbraw/zinc/42/24/15/872422415.db2.gz FHWADSAYTLSBEJ-IBGZPJMESA-N 2 2 386.584 3.753 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[N@@H+](CC3CCCCC3)CC1)C2 ZINC000526986685 872422427 /nfs/dbraw/zinc/42/24/27/872422427.db2.gz FHWADSAYTLSBEJ-IBGZPJMESA-N 2 2 386.584 3.753 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[N@H+](CC3CCCCC3)CC1)CC2 ZINC000526986685 872422433 /nfs/dbraw/zinc/42/24/33/872422433.db2.gz FHWADSAYTLSBEJ-IBGZPJMESA-N 2 2 386.584 3.753 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[N@@H+](CC3CCCCC3)CC1)CC2 ZINC000526986685 872422446 /nfs/dbraw/zinc/42/24/46/872422446.db2.gz FHWADSAYTLSBEJ-IBGZPJMESA-N 2 2 386.584 3.753 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H]3[NH+](C)CCCC3(C)C)n2)C1 ZINC000447893439 872491463 /nfs/dbraw/zinc/49/14/63/872491463.db2.gz MPRSPNAVBFHLMP-WBVHZDCISA-N 2 2 393.601 3.617 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H]3[NH+](C)CCCC3(C)C)n2)C1 ZINC000447893439 872491470 /nfs/dbraw/zinc/49/14/70/872491470.db2.gz MPRSPNAVBFHLMP-WBVHZDCISA-N 2 2 393.601 3.617 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)n2)C1 ZINC000447893439 872491477 /nfs/dbraw/zinc/49/14/77/872491477.db2.gz MPRSPNAVBFHLMP-WBVHZDCISA-N 2 2 393.601 3.617 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)n2)C1 ZINC000447893439 872491480 /nfs/dbraw/zinc/49/14/80/872491480.db2.gz MPRSPNAVBFHLMP-WBVHZDCISA-N 2 2 393.601 3.617 20 0 GHADLP CCOc1cc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)ccc1OC ZINC000742377780 872906594 /nfs/dbraw/zinc/90/65/94/872906594.db2.gz INMBGKZQDGMVHD-UHFFFAOYSA-N 2 2 383.536 3.919 20 0 GHADLP C[N@@H+]1CCN(CCC[NH2+]Cc2csc(C(C)(C)C)n2)[C@H](c2ccccc2)C1 ZINC000619761485 872974151 /nfs/dbraw/zinc/97/41/51/872974151.db2.gz PITDDCKRCITCRO-FQEVSTJZSA-N 2 2 386.609 3.909 20 0 GHADLP C[N@H+]1CCN(CCC[NH2+]Cc2csc(C(C)(C)C)n2)[C@H](c2ccccc2)C1 ZINC000619761485 872974158 /nfs/dbraw/zinc/97/41/58/872974158.db2.gz PITDDCKRCITCRO-FQEVSTJZSA-N 2 2 386.609 3.909 20 0 GHADLP c1cc(CCC[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cs1 ZINC000541169157 873084359 /nfs/dbraw/zinc/08/43/59/873084359.db2.gz BKBYSTBPSHTORQ-NRFANRHFSA-N 2 2 384.593 3.610 20 0 GHADLP c1cc(CCC[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cs1 ZINC000541169157 873084378 /nfs/dbraw/zinc/08/43/78/873084378.db2.gz BKBYSTBPSHTORQ-NRFANRHFSA-N 2 2 384.593 3.610 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768197035 873164042 /nfs/dbraw/zinc/16/40/42/873164042.db2.gz GIHBNSYGRMHRIT-KRWDZBQOSA-N 2 2 388.556 3.676 20 0 GHADLP Clc1cnc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(Br)c1 ZINC000527641697 873392685 /nfs/dbraw/zinc/39/26/85/873392685.db2.gz XLPYBPQFRLOEIQ-UHFFFAOYSA-N 2 2 381.705 3.651 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)cs2)cn1 ZINC000527708812 873472035 /nfs/dbraw/zinc/47/20/35/873472035.db2.gz BLJUYCYGACTZRA-IBGZPJMESA-N 2 2 395.576 3.936 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)cs2)cn1 ZINC000527708812 873472044 /nfs/dbraw/zinc/47/20/44/873472044.db2.gz BLJUYCYGACTZRA-IBGZPJMESA-N 2 2 395.576 3.936 20 0 GHADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(F)c(Br)cc2F)CC1 ZINC000527857830 873678169 /nfs/dbraw/zinc/67/81/69/873678169.db2.gz HIGCDZPBXJAMTK-GFCCVEGCSA-N 2 2 391.300 3.879 20 0 GHADLP C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000768919660 873687977 /nfs/dbraw/zinc/68/79/77/873687977.db2.gz VKSWEMWZXAFJFA-UHFFFAOYSA-N 2 2 390.531 3.979 20 0 GHADLP C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000768919660 873687987 /nfs/dbraw/zinc/68/79/87/873687987.db2.gz VKSWEMWZXAFJFA-UHFFFAOYSA-N 2 2 390.531 3.979 20 0 GHADLP Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)s1 ZINC000192094248 882758256 /nfs/dbraw/zinc/75/82/56/882758256.db2.gz ZDSYXVPNKFTHSF-UHFFFAOYSA-N 2 2 394.544 3.945 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccc3[nH]nc(Cl)c3c2)cc1 ZINC001198021425 874184130 /nfs/dbraw/zinc/18/41/30/874184130.db2.gz IWUZDRBYJVMPAS-UHFFFAOYSA-N 2 2 399.926 3.852 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccc3[nH]nc(Cl)c3c2)cc1 ZINC001198021425 874184133 /nfs/dbraw/zinc/18/41/33/874184133.db2.gz IWUZDRBYJVMPAS-UHFFFAOYSA-N 2 2 399.926 3.852 20 0 GHADLP CC(C)C[C@H](NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1)c1ccccn1 ZINC001198036587 874192578 /nfs/dbraw/zinc/19/25/78/874192578.db2.gz MBSRMZWKZQTASN-QHCPKHFHSA-N 2 2 396.579 3.982 20 0 GHADLP CC(C)C[C@H](NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1)c1ccccn1 ZINC001198036587 874192588 /nfs/dbraw/zinc/19/25/88/874192588.db2.gz MBSRMZWKZQTASN-QHCPKHFHSA-N 2 2 396.579 3.982 20 0 GHADLP Cc1ccc([C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C2CCC2)o1 ZINC000541735755 874193360 /nfs/dbraw/zinc/19/33/60/874193360.db2.gz DEGLJAFWGBQSIA-HSZRJFAPSA-N 2 2 384.520 3.930 20 0 GHADLP Cc1ccc([C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C2CCC2)o1 ZINC000541735756 874193494 /nfs/dbraw/zinc/19/34/94/874193494.db2.gz DEGLJAFWGBQSIA-QHCPKHFHSA-N 2 2 384.520 3.930 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000192172297 882828686 /nfs/dbraw/zinc/82/86/86/882828686.db2.gz UGNAMUZQWKCKCM-IBGZPJMESA-N 2 2 386.293 3.766 20 0 GHADLP COc1ccc(-n2cc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cn2)cc1 ZINC000449077444 874458087 /nfs/dbraw/zinc/45/80/87/874458087.db2.gz VWXDMLWDASOWMZ-UHFFFAOYSA-N 2 2 390.531 3.678 20 0 GHADLP CC[N@@H+](CC(=O)NCCC1CCCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464800646 874509931 /nfs/dbraw/zinc/50/99/31/874509931.db2.gz AVWSHGAJVIIBQR-UHFFFAOYSA-N 2 2 386.584 3.707 20 0 GHADLP CC[N@H+](CC(=O)NCCC1CCCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464800646 874509941 /nfs/dbraw/zinc/50/99/41/874509941.db2.gz AVWSHGAJVIIBQR-UHFFFAOYSA-N 2 2 386.584 3.707 20 0 GHADLP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Cl)cc1F ZINC000541913746 874513527 /nfs/dbraw/zinc/51/35/27/874513527.db2.gz WNWFTYNXYOFKIW-RTBURBONSA-N 2 2 383.939 3.709 20 0 GHADLP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Cl)cc1F ZINC000541913746 874513531 /nfs/dbraw/zinc/51/35/31/874513531.db2.gz WNWFTYNXYOFKIW-RTBURBONSA-N 2 2 383.939 3.709 20 0 GHADLP OCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1Br ZINC000541917063 874562551 /nfs/dbraw/zinc/56/25/51/874562551.db2.gz ZNVGHRDRLVBOPI-SFHVURJKSA-N 2 2 390.325 3.526 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cn(C)nc2Br)C1 ZINC000858099070 882843141 /nfs/dbraw/zinc/84/31/41/882843141.db2.gz VAPIJMRHFOAHNR-HNNXBMFYSA-N 2 2 391.357 3.704 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cn(C)nc2Br)C1 ZINC000858099070 882843157 /nfs/dbraw/zinc/84/31/57/882843157.db2.gz VAPIJMRHFOAHNR-HNNXBMFYSA-N 2 2 391.357 3.704 20 0 GHADLP C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841542 874615960 /nfs/dbraw/zinc/61/59/60/874615960.db2.gz YJEIQKQVYVOFAQ-VJBWXMMDSA-N 2 2 383.580 3.622 20 0 GHADLP C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841542 874615965 /nfs/dbraw/zinc/61/59/65/874615965.db2.gz YJEIQKQVYVOFAQ-VJBWXMMDSA-N 2 2 383.580 3.622 20 0 GHADLP C[NH+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841542 874615970 /nfs/dbraw/zinc/61/59/70/874615970.db2.gz YJEIQKQVYVOFAQ-VJBWXMMDSA-N 2 2 383.580 3.622 20 0 GHADLP C[NH+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841542 874615974 /nfs/dbraw/zinc/61/59/74/874615974.db2.gz YJEIQKQVYVOFAQ-VJBWXMMDSA-N 2 2 383.580 3.622 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+]C1CC[NH+]([C@H](C)Cc3ccccc3)CC1)n2C ZINC000449251419 874629204 /nfs/dbraw/zinc/62/92/04/874629204.db2.gz RTLWWCZHWKSFHW-GOSISDBHSA-N 2 2 392.547 3.767 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc3ccccc3)CC1)CCC2 ZINC000449243744 874650380 /nfs/dbraw/zinc/65/03/80/874650380.db2.gz MWEDNLDBXJWVRX-WMZHIEFXSA-N 2 2 396.579 3.592 20 0 GHADLP COc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cn2)cc1 ZINC000449307932 874697204 /nfs/dbraw/zinc/69/72/04/874697204.db2.gz SMCRJAQENMUUOJ-LJQANCHMSA-N 2 2 391.519 3.793 20 0 GHADLP COc1ccc(-n2cc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cn2)cc1 ZINC000449307932 874697208 /nfs/dbraw/zinc/69/72/08/874697208.db2.gz SMCRJAQENMUUOJ-LJQANCHMSA-N 2 2 391.519 3.793 20 0 GHADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449352515 874749218 /nfs/dbraw/zinc/74/92/18/874749218.db2.gz WSRSWZBICFVHLO-LBPRGKRZSA-N 2 2 394.704 3.663 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475730001 882874018 /nfs/dbraw/zinc/87/40/18/882874018.db2.gz PFKQIRQWFNLINM-XUZZJYLKSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475730001 882874037 /nfs/dbraw/zinc/87/40/37/882874037.db2.gz PFKQIRQWFNLINM-XUZZJYLKSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475730001 882874055 /nfs/dbraw/zinc/87/40/55/882874055.db2.gz PFKQIRQWFNLINM-XUZZJYLKSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475730001 882874075 /nfs/dbraw/zinc/87/40/75/882874075.db2.gz PFKQIRQWFNLINM-XUZZJYLKSA-N 2 2 383.580 3.622 20 0 GHADLP CCc1ccc(-c2ccc(C[NH2+]CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)o2)cc1 ZINC000465004987 874903183 /nfs/dbraw/zinc/90/31/83/874903183.db2.gz XFNUXDLPOTVHGV-OAQYLSRUSA-N 2 2 383.536 3.541 20 0 GHADLP CCc1ccc(-c2ccc(C[NH2+]CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)o2)cc1 ZINC000465004987 874903187 /nfs/dbraw/zinc/90/31/87/874903187.db2.gz XFNUXDLPOTVHGV-OAQYLSRUSA-N 2 2 383.536 3.541 20 0 GHADLP CCCOc1c(OC)cc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000449486396 874938670 /nfs/dbraw/zinc/93/86/70/874938670.db2.gz RWCFQMOTDYIOHA-UHFFFAOYSA-N 2 2 399.535 3.689 20 0 GHADLP CC[N@H+](CCC1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)CC1)CC1CC1 ZINC000771284775 875137333 /nfs/dbraw/zinc/13/73/33/875137333.db2.gz UIUYQCHKLPRACG-UHFFFAOYSA-N 2 2 384.572 3.920 20 0 GHADLP CC[N@@H+](CCC1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)CC1)CC1CC1 ZINC000771284775 875137345 /nfs/dbraw/zinc/13/73/45/875137345.db2.gz UIUYQCHKLPRACG-UHFFFAOYSA-N 2 2 384.572 3.920 20 0 GHADLP Cc1ccc(NCCSCc2csc(C[NH+](C)C)n2)c(C[NH+](C)C)c1 ZINC001168111573 875195626 /nfs/dbraw/zinc/19/56/26/875195626.db2.gz QBSCDUIBBZCFGQ-UHFFFAOYSA-N 2 2 378.611 3.920 20 0 GHADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000542359858 875427368 /nfs/dbraw/zinc/42/73/68/875427368.db2.gz NMADZMXASITNAD-UHFFFAOYSA-N 2 2 376.504 3.725 20 0 GHADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000542359858 875427378 /nfs/dbraw/zinc/42/73/78/875427378.db2.gz NMADZMXASITNAD-UHFFFAOYSA-N 2 2 376.504 3.725 20 0 GHADLP C[NH+](C)CCOc1cc(C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)ccn1 ZINC000542494173 882930803 /nfs/dbraw/zinc/93/08/03/882930803.db2.gz SDCMFRYTYNTZPY-QFIPXVFZSA-N 2 2 398.457 3.574 20 0 GHADLP Cc1nc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000178929065 882937286 /nfs/dbraw/zinc/93/72/86/882937286.db2.gz MJRGPKWDXSLJTP-ZWKOTPCHSA-N 2 2 393.601 3.561 20 0 GHADLP Cc1nc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000178929065 882937301 /nfs/dbraw/zinc/93/73/01/882937301.db2.gz MJRGPKWDXSLJTP-ZWKOTPCHSA-N 2 2 393.601 3.561 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc4ccc(F)c(F)c4n3)[nH+]c2)C1 ZINC001201541838 875738120 /nfs/dbraw/zinc/73/81/20/875738120.db2.gz JDVYSRBXIHXDLE-QGZVFWFLSA-N 2 2 383.446 3.660 20 0 GHADLP Cc1ccc(C(F)(F)F)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000120230873 875744109 /nfs/dbraw/zinc/74/41/09/875744109.db2.gz ISDPZMZHLBPHHA-UHFFFAOYSA-N 2 2 398.473 3.694 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000172749848 875897907 /nfs/dbraw/zinc/89/79/07/875897907.db2.gz VKQVZKUIANUNKE-PMACEKPBSA-N 2 2 389.971 3.510 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000172749841 875898286 /nfs/dbraw/zinc/89/82/86/875898286.db2.gz VKQVZKUIANUNKE-UXHICEINSA-N 2 2 389.971 3.510 20 0 GHADLP CSc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000450229733 876125468 /nfs/dbraw/zinc/12/54/68/876125468.db2.gz XSOBENGUKKRDPX-NHCUHLMSSA-N 2 2 389.609 3.818 20 0 GHADLP CSc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000450229733 876125477 /nfs/dbraw/zinc/12/54/77/876125477.db2.gz XSOBENGUKKRDPX-NHCUHLMSSA-N 2 2 389.609 3.818 20 0 GHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000529543434 876294767 /nfs/dbraw/zinc/29/47/67/876294767.db2.gz AJYBAMITVBYLAE-SJORKVTESA-N 2 2 384.467 3.740 20 0 GHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000529543434 876294775 /nfs/dbraw/zinc/29/47/75/876294775.db2.gz AJYBAMITVBYLAE-SJORKVTESA-N 2 2 384.467 3.740 20 0 GHADLP Cc1nc(C2CC2)ccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450354203 876318411 /nfs/dbraw/zinc/31/84/11/876318411.db2.gz KAFITGKXPQSYPZ-XZOQPEGZSA-N 2 2 398.595 3.677 20 0 GHADLP Cc1nc(C2CC2)ccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450354203 876318427 /nfs/dbraw/zinc/31/84/27/876318427.db2.gz KAFITGKXPQSYPZ-XZOQPEGZSA-N 2 2 398.595 3.677 20 0 GHADLP Cc1nc2ccc(CNc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)cc2s1 ZINC000492157235 876346877 /nfs/dbraw/zinc/34/68/77/876346877.db2.gz ZMLLDTSAMAGRFL-UHFFFAOYSA-N 2 2 381.549 3.564 20 0 GHADLP C[C@@H]1CN(c2nccc3cc(C(F)(F)F)ccc32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000450416065 876400448 /nfs/dbraw/zinc/40/04/48/876400448.db2.gz GASCRKWGOPPCCB-OAHLLOKOSA-N 2 2 392.469 3.858 20 0 GHADLP C[C@@H]1CN(c2nccc3cc(C(F)(F)F)ccc32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000450416065 876400456 /nfs/dbraw/zinc/40/04/56/876400456.db2.gz GASCRKWGOPPCCB-OAHLLOKOSA-N 2 2 392.469 3.858 20 0 GHADLP CN1CC[NH+](CC2(C)CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)CC2)CC1 ZINC000450440651 876430731 /nfs/dbraw/zinc/43/07/31/876430731.db2.gz OSKKBIBQNLVLNG-UHFFFAOYSA-N 2 2 390.934 3.881 20 0 GHADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000786581746 876770056 /nfs/dbraw/zinc/77/00/56/876770056.db2.gz VPWXHYSDNXZOHG-KXBFYZLASA-N 2 2 381.358 3.991 20 0 GHADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000786581746 876770067 /nfs/dbraw/zinc/77/00/67/876770067.db2.gz VPWXHYSDNXZOHG-KXBFYZLASA-N 2 2 381.358 3.991 20 0 GHADLP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)n(C)n1 ZINC000850398245 876880076 /nfs/dbraw/zinc/88/00/76/876880076.db2.gz MCPAHAKMYHKYLT-CYFREDJKSA-N 2 2 395.595 3.764 20 0 GHADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000174238541 876918834 /nfs/dbraw/zinc/91/88/34/876918834.db2.gz OHHUKXYPODHZSG-QGZVFWFLSA-N 2 2 393.959 3.552 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1Cl ZINC000850512930 876982781 /nfs/dbraw/zinc/98/27/81/876982781.db2.gz LNIHIRONBZQERU-HNAYVOBHSA-N 2 2 387.911 3.522 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1Cl ZINC000850512930 876982787 /nfs/dbraw/zinc/98/27/87/876982787.db2.gz LNIHIRONBZQERU-HNAYVOBHSA-N 2 2 387.911 3.522 20 0 GHADLP Clc1ccc(-c2ncc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)s2)cc1 ZINC000551806916 877867142 /nfs/dbraw/zinc/86/71/42/877867142.db2.gz ZSWSVDUMABRQHR-UHFFFAOYSA-N 2 2 390.984 3.677 20 0 GHADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245442198 877887224 /nfs/dbraw/zinc/88/72/24/877887224.db2.gz HVUPTYQZCUTGGB-ROUUACIJSA-N 2 2 377.960 3.667 20 0 GHADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245442198 877887241 /nfs/dbraw/zinc/88/72/41/877887241.db2.gz HVUPTYQZCUTGGB-ROUUACIJSA-N 2 2 377.960 3.667 20 0 GHADLP COc1ccc(C(=O)C2CC[NH+](Cc3cn(-c4cc[nH+]cc4)nc3C)CC2)cc1 ZINC000542465339 878133159 /nfs/dbraw/zinc/13/31/59/878133159.db2.gz HQNYUZSSCGMZOG-UHFFFAOYSA-N 2 2 390.487 3.679 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4ccc(Cl)nc43)cc2)CC1 ZINC000788538941 878133548 /nfs/dbraw/zinc/13/35/48/878133548.db2.gz IVDNMJOPMMHBOU-HXUWFJFHSA-N 2 2 384.955 3.650 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534187 878154054 /nfs/dbraw/zinc/15/40/54/878154054.db2.gz MXTCDWBUMYPBKB-IEBWSBKVSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534187 878154064 /nfs/dbraw/zinc/15/40/64/878154064.db2.gz MXTCDWBUMYPBKB-IEBWSBKVSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534187 878154069 /nfs/dbraw/zinc/15/40/69/878154069.db2.gz MXTCDWBUMYPBKB-IEBWSBKVSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534187 878154076 /nfs/dbraw/zinc/15/40/76/878154076.db2.gz MXTCDWBUMYPBKB-IEBWSBKVSA-N 2 2 377.960 3.667 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000245592823 878165066 /nfs/dbraw/zinc/16/50/66/878165066.db2.gz KZTDSSNNVQATAN-KBXCAEBGSA-N 2 2 395.334 3.731 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000245592823 878165070 /nfs/dbraw/zinc/16/50/70/878165070.db2.gz KZTDSSNNVQATAN-KBXCAEBGSA-N 2 2 395.334 3.731 20 0 GHADLP CN(C(=O)c1ccc(F)cc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245673371 878339385 /nfs/dbraw/zinc/33/93/85/878339385.db2.gz FHTNNEMTDKBUBJ-WOJBJXKFSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1ccc(F)cc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245673371 878339403 /nfs/dbraw/zinc/33/94/03/878339403.db2.gz FHTNNEMTDKBUBJ-WOJBJXKFSA-N 2 2 395.950 3.888 20 0 GHADLP C[C@H](Cc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245678438 878358701 /nfs/dbraw/zinc/35/87/01/878358701.db2.gz GRGQNKRMIDEEIU-UEVCKROQSA-N 2 2 385.596 3.661 20 0 GHADLP C[C@H](Cc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245678438 878358716 /nfs/dbraw/zinc/35/87/16/878358716.db2.gz GRGQNKRMIDEEIU-UEVCKROQSA-N 2 2 385.596 3.661 20 0 GHADLP CC[N@H+](CCCC1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1)[C@H](C)c1nnc(C)o1 ZINC000245716473 878455292 /nfs/dbraw/zinc/45/52/92/878455292.db2.gz GSJUCCAXWTVWGC-CABCVRRESA-N 2 2 390.532 3.706 20 0 GHADLP CC[N@@H+](CCCC1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1)[C@H](C)c1nnc(C)o1 ZINC000245716473 878455303 /nfs/dbraw/zinc/45/53/03/878455303.db2.gz GSJUCCAXWTVWGC-CABCVRRESA-N 2 2 390.532 3.706 20 0 GHADLP CN(C(=O)c1ccc(F)c(Cl)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245724850 878473053 /nfs/dbraw/zinc/47/30/53/878473053.db2.gz QRCKVTWFWZPWMV-VQTJNVASSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1ccc(F)c(Cl)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245724850 878473058 /nfs/dbraw/zinc/47/30/58/878473058.db2.gz QRCKVTWFWZPWMV-VQTJNVASSA-N 2 2 395.950 3.888 20 0 GHADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000177304747 878641992 /nfs/dbraw/zinc/64/19/92/878641992.db2.gz DTIVDXGGLQFIEO-OAQYLSRUSA-N 2 2 383.561 3.785 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177590903 878767422 /nfs/dbraw/zinc/76/74/22/878767422.db2.gz URJMGURCDDRGCK-RTBURBONSA-N 2 2 388.515 3.759 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@H]3CO1)CCCS2 ZINC000853233202 878915932 /nfs/dbraw/zinc/91/59/32/878915932.db2.gz BVOFWQZWDROPOA-YQQAZPJKSA-N 2 2 397.382 3.829 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@H]3CO1)CCCS2 ZINC000853233202 878915943 /nfs/dbraw/zinc/91/59/43/878915943.db2.gz BVOFWQZWDROPOA-YQQAZPJKSA-N 2 2 397.382 3.829 20 0 GHADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000538428491 879464598 /nfs/dbraw/zinc/46/45/98/879464598.db2.gz WLRDZYSSSWYOCB-DHIUTWEWSA-N 2 2 386.503 3.930 20 0 GHADLP CC1(C)CC[C@H]2C[C@H]([NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)c3cccc1c32 ZINC000538458067 879530705 /nfs/dbraw/zinc/53/07/05/879530705.db2.gz VVYWHIVXMIMMAG-CVDCTZTESA-N 2 2 397.607 3.673 20 0 GHADLP CC(C)c1ccc(C[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C2CC2)cc1 ZINC000790367860 879671194 /nfs/dbraw/zinc/67/11/94/879671194.db2.gz MBJRJDRFSNPLDU-HSZRJFAPSA-N 2 2 383.536 3.649 20 0 GHADLP CC(C)c1ccc(C[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C2CC2)cc1 ZINC000790367860 879671203 /nfs/dbraw/zinc/67/12/03/879671203.db2.gz MBJRJDRFSNPLDU-HSZRJFAPSA-N 2 2 383.536 3.649 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000538556503 879707820 /nfs/dbraw/zinc/70/78/20/879707820.db2.gz CPFPOBBXTHSWRJ-YJBOKZPZSA-N 2 2 393.535 3.625 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)N(Cc2ccco2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246657214 879741693 /nfs/dbraw/zinc/74/16/93/879741693.db2.gz UFAAXGFSDRRRMA-GHTZIAJQSA-N 2 2 378.476 3.592 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccco2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246657214 879741708 /nfs/dbraw/zinc/74/17/08/879741708.db2.gz UFAAXGFSDRRRMA-GHTZIAJQSA-N 2 2 378.476 3.592 20 0 GHADLP CCN(C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000246853132 879828114 /nfs/dbraw/zinc/82/81/14/879828114.db2.gz PETNEKPQTFHVKP-ZWCUEREDSA-N 2 2 387.543 3.684 20 0 GHADLP CCN(C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000246853132 879828132 /nfs/dbraw/zinc/82/81/32/879828132.db2.gz PETNEKPQTFHVKP-ZWCUEREDSA-N 2 2 387.543 3.684 20 0 GHADLP CCN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000246853132 879828142 /nfs/dbraw/zinc/82/81/42/879828142.db2.gz PETNEKPQTFHVKP-ZWCUEREDSA-N 2 2 387.543 3.684 20 0 GHADLP CCN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000246853132 879828158 /nfs/dbraw/zinc/82/81/58/879828158.db2.gz PETNEKPQTFHVKP-ZWCUEREDSA-N 2 2 387.543 3.684 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1Cl ZINC000139950690 879844833 /nfs/dbraw/zinc/84/48/33/879844833.db2.gz LOVYLIUOFWCJSE-PMUMKWKESA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1Cl ZINC000139950690 879844842 /nfs/dbraw/zinc/84/48/42/879844842.db2.gz LOVYLIUOFWCJSE-PMUMKWKESA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000139950690 879844859 /nfs/dbraw/zinc/84/48/59/879844859.db2.gz LOVYLIUOFWCJSE-PMUMKWKESA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000139950690 879844877 /nfs/dbraw/zinc/84/48/77/879844877.db2.gz LOVYLIUOFWCJSE-PMUMKWKESA-N 2 2 384.351 3.587 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000246924967 879851814 /nfs/dbraw/zinc/85/18/14/879851814.db2.gz NBYQIWWCEKLWBL-PUHATCMVSA-N 2 2 399.579 3.555 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000246924967 879851830 /nfs/dbraw/zinc/85/18/30/879851830.db2.gz NBYQIWWCEKLWBL-PUHATCMVSA-N 2 2 399.579 3.555 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000246924967 879851848 /nfs/dbraw/zinc/85/18/48/879851848.db2.gz NBYQIWWCEKLWBL-PUHATCMVSA-N 2 2 399.579 3.555 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000246924967 879851863 /nfs/dbraw/zinc/85/18/63/879851863.db2.gz NBYQIWWCEKLWBL-PUHATCMVSA-N 2 2 399.579 3.555 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2ccc(F)cc2)cc1 ZINC000494067096 879871272 /nfs/dbraw/zinc/87/12/72/879871272.db2.gz VAKCCZXHMWXMMT-WXFUMESZSA-N 2 2 398.522 3.891 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000247152497 879931328 /nfs/dbraw/zinc/93/13/28/879931328.db2.gz XEIUYNPFNGDOLH-OXJNMPFZSA-N 2 2 393.453 3.979 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000247152497 879931337 /nfs/dbraw/zinc/93/13/37/879931337.db2.gz XEIUYNPFNGDOLH-OXJNMPFZSA-N 2 2 393.453 3.979 20 0 GHADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000247354428 879980369 /nfs/dbraw/zinc/98/03/69/879980369.db2.gz IIJAAXIUDRNNNG-QIJUGHKUSA-N 2 2 395.551 3.531 20 0 GHADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000247354428 879980376 /nfs/dbraw/zinc/98/03/76/879980376.db2.gz IIJAAXIUDRNNNG-QIJUGHKUSA-N 2 2 395.551 3.531 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ncc(-c2ccccc2)n1C ZINC000453085638 880445518 /nfs/dbraw/zinc/44/55/18/880445518.db2.gz MJSBAGUKHVHTMC-LJQANCHMSA-N 2 2 390.531 3.770 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ncc(-c2ccccc2)n1C ZINC000453089328 880447940 /nfs/dbraw/zinc/44/79/40/880447940.db2.gz NWQYFPTVVZQYBY-GOSISDBHSA-N 2 2 378.520 3.878 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453101319 880466213 /nfs/dbraw/zinc/46/62/13/880466213.db2.gz YUUWBRWKYXJPTQ-IPMKNSEASA-N 2 2 392.469 3.978 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453101319 880466216 /nfs/dbraw/zinc/46/62/16/880466216.db2.gz YUUWBRWKYXJPTQ-IPMKNSEASA-N 2 2 392.469 3.978 20 0 GHADLP C[C@@H]1C[C@@H](CC[NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000453183482 880585147 /nfs/dbraw/zinc/58/51/47/880585147.db2.gz YTCIWERBLVXCNZ-BOCKYXSRSA-N 2 2 393.510 3.924 20 0 GHADLP C[C@@H]1C[C@@H](CC[NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000453183482 880585157 /nfs/dbraw/zinc/58/51/57/880585157.db2.gz YTCIWERBLVXCNZ-BOCKYXSRSA-N 2 2 393.510 3.924 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000453318746 880789275 /nfs/dbraw/zinc/78/92/75/880789275.db2.gz BXLISTAJMNXMTH-INIZCTEOSA-N 2 2 395.503 3.689 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1Cl ZINC000531976736 880856314 /nfs/dbraw/zinc/85/63/14/880856314.db2.gz CLQOBHGVEMCDGH-LRQRDZAKSA-N 2 2 388.939 3.882 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1Cl ZINC000531976736 880856323 /nfs/dbraw/zinc/85/63/23/880856323.db2.gz CLQOBHGVEMCDGH-LRQRDZAKSA-N 2 2 388.939 3.882 20 0 GHADLP CN(C(=O)Cc1coc2ccccc12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000556936876 881123766 /nfs/dbraw/zinc/12/37/66/881123766.db2.gz DDIZKWYXDHGRCO-VXKWHMMOSA-N 2 2 397.563 3.771 20 0 GHADLP CN(C(=O)Cc1coc2ccccc12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000556936876 881123777 /nfs/dbraw/zinc/12/37/77/881123777.db2.gz DDIZKWYXDHGRCO-VXKWHMMOSA-N 2 2 397.563 3.771 20 0 GHADLP Cc1c(O)ccc2c(C[N@@H+](C)C3CC[NH+](Cc4ccccc4)CC3)cc(=O)oc12 ZINC000114200344 881187633 /nfs/dbraw/zinc/18/76/33/881187633.db2.gz PGYIOPGCSDQKDJ-UHFFFAOYSA-N 2 2 392.499 3.903 20 0 GHADLP Cc1c(O)ccc2c(C[N@H+](C)C3CC[NH+](Cc4ccccc4)CC3)cc(=O)oc12 ZINC000114200344 881187643 /nfs/dbraw/zinc/18/76/43/881187643.db2.gz PGYIOPGCSDQKDJ-UHFFFAOYSA-N 2 2 392.499 3.903 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CCC(=O)Nc4ccccc43)CC2)c1 ZINC000542479747 881282278 /nfs/dbraw/zinc/28/22/78/881282278.db2.gz SWIRXDWNGJUFBS-QFIPXVFZSA-N 2 2 392.547 3.570 20 0 GHADLP C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000263217831 883189318 /nfs/dbraw/zinc/18/93/18/883189318.db2.gz LEWCKNPQFXAQOV-HRAATJIYSA-N 2 2 384.549 3.548 20 0 GHADLP C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000263217831 883189325 /nfs/dbraw/zinc/18/93/25/883189325.db2.gz LEWCKNPQFXAQOV-HRAATJIYSA-N 2 2 384.549 3.548 20 0 GHADLP C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000135542770 883438418 /nfs/dbraw/zinc/43/84/18/883438418.db2.gz SQOIWTVGUUAVMB-INIZCTEOSA-N 2 2 395.482 3.633 20 0 GHADLP CC[C@@H]1CC([N@H+](CCC[NH3+])CCC[NH+](C)C)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170470010 883443771 /nfs/dbraw/zinc/44/37/71/883443771.db2.gz NFJFZAXKSWMTSW-RTBURBONSA-N 3 2 398.636 3.546 20 0 GHADLP CC[C@@H]1CC([N@@H+](CCC[NH3+])CCC[NH+](C)C)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170470010 883443778 /nfs/dbraw/zinc/44/37/78/883443778.db2.gz NFJFZAXKSWMTSW-RTBURBONSA-N 3 2 398.636 3.546 20 0 GHADLP CS(=O)(=O)c1cccc([C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccc(Cl)cc2)c1 ZINC000643458215 912710900 /nfs/dbraw/zinc/71/09/00/912710900.db2.gz FEZZVMMOWMBNNI-ICSRJNTNSA-N 2 2 392.952 3.565 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC001183758573 912768992 /nfs/dbraw/zinc/76/89/92/912768992.db2.gz WJHFUBKSCJEBMP-GOTSBHOMSA-N 2 2 391.559 3.678 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC001183758573 912769008 /nfs/dbraw/zinc/76/90/08/912769008.db2.gz WJHFUBKSCJEBMP-GOTSBHOMSA-N 2 2 391.559 3.678 20 0 GHADLP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183758573 912769021 /nfs/dbraw/zinc/76/90/21/912769021.db2.gz WJHFUBKSCJEBMP-GOTSBHOMSA-N 2 2 391.559 3.678 20 0 GHADLP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183758573 912769031 /nfs/dbraw/zinc/76/90/31/912769031.db2.gz WJHFUBKSCJEBMP-GOTSBHOMSA-N 2 2 391.559 3.678 20 0 GHADLP C[NH+](C)CCOc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1Cl ZINC000116817501 884232313 /nfs/dbraw/zinc/23/23/13/884232313.db2.gz OSQWHQTULTXUHO-UHFFFAOYSA-N 2 2 398.894 3.778 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455861699 884287616 /nfs/dbraw/zinc/28/76/16/884287616.db2.gz RIYSYELUCDFAKT-HXUWFJFHSA-N 2 2 383.540 3.939 20 0 GHADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000476301356 884351211 /nfs/dbraw/zinc/35/12/11/884351211.db2.gz AMKLNXGAZNQMTI-QAPCUYQASA-N 2 2 392.494 3.640 20 0 GHADLP c1n[nH]c([C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)C2CCCCC2)n1 ZINC000495089413 884517470 /nfs/dbraw/zinc/51/74/70/884517470.db2.gz FZVIAECTUGPHCR-QFIPXVFZSA-N 2 2 397.567 3.733 20 0 GHADLP Cc1ccc(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(N(C)C)[nH+]1 ZINC000806361311 884638759 /nfs/dbraw/zinc/63/87/59/884638759.db2.gz NFTPNPWLNZWQTP-QHCPKHFHSA-N 2 2 393.535 3.586 20 0 GHADLP Cc1ccc(NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(N(C)C)[nH+]1 ZINC000806361311 884638764 /nfs/dbraw/zinc/63/87/64/884638764.db2.gz NFTPNPWLNZWQTP-QHCPKHFHSA-N 2 2 393.535 3.586 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000130650955 884941459 /nfs/dbraw/zinc/94/14/59/884941459.db2.gz IGLVUJOISLJMQF-QFIPXVFZSA-N 2 2 392.503 3.902 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000130650955 884941473 /nfs/dbraw/zinc/94/14/73/884941473.db2.gz IGLVUJOISLJMQF-QFIPXVFZSA-N 2 2 392.503 3.902 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000130866309 885252281 /nfs/dbraw/zinc/25/22/81/885252281.db2.gz WAESCVOWLAXOIN-UHFFFAOYSA-N 2 2 388.821 3.824 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000130866309 885252300 /nfs/dbraw/zinc/25/23/00/885252300.db2.gz WAESCVOWLAXOIN-UHFFFAOYSA-N 2 2 388.821 3.824 20 0 GHADLP C[NH+](C)CCOc1ccccc1-c1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000762080588 885332205 /nfs/dbraw/zinc/33/22/05/885332205.db2.gz ZAOMIMFLGIBGRL-UHFFFAOYSA-N 2 2 375.432 3.530 20 0 GHADLP CCCCC[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000729608541 885447284 /nfs/dbraw/zinc/44/72/84/885447284.db2.gz BINKBUTUVVNVPR-JOCHJYFZSA-N 2 2 388.600 3.975 20 0 GHADLP CCCCC[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000729608541 885447289 /nfs/dbraw/zinc/44/72/89/885447289.db2.gz BINKBUTUVVNVPR-JOCHJYFZSA-N 2 2 388.600 3.975 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000303289082 885506387 /nfs/dbraw/zinc/50/63/87/885506387.db2.gz WMNQNUMORBECIT-CQSZACIVSA-N 2 2 381.398 3.872 20 0 GHADLP CC(C)Cc1ccc([C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)N(C)C)cc1 ZINC000655768659 885532563 /nfs/dbraw/zinc/53/25/63/885532563.db2.gz LMOUGTOBILGVKR-ZEQRLZLVSA-N 2 2 387.612 3.721 20 0 GHADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](c2sccc2Br)C2CCCCC2)C1 ZINC000556573023 885537272 /nfs/dbraw/zinc/53/72/72/885537272.db2.gz MHJBGWCKQQJQMY-NVXWUHKLSA-N 2 2 387.387 3.788 20 0 GHADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](c2sccc2Br)C2CCCCC2)C1 ZINC000556573023 885537279 /nfs/dbraw/zinc/53/72/79/885537279.db2.gz MHJBGWCKQQJQMY-NVXWUHKLSA-N 2 2 387.387 3.788 20 0 GHADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cc2ccccc2s1 ZINC000170956327 885642261 /nfs/dbraw/zinc/64/22/61/885642261.db2.gz LYFWCUDGIGYSCQ-MRXNPFEDSA-N 2 2 388.581 3.630 20 0 GHADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cc2ccccc2s1 ZINC000170956327 885642270 /nfs/dbraw/zinc/64/22/70/885642270.db2.gz LYFWCUDGIGYSCQ-MRXNPFEDSA-N 2 2 388.581 3.630 20 0 GHADLP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)cc(Cl)c1 ZINC001275287258 913002724 /nfs/dbraw/zinc/00/27/24/913002724.db2.gz MBVYBWNFEFNTQX-LJQANCHMSA-N 2 2 384.351 3.512 20 0 GHADLP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)cc(Cl)c1 ZINC001275287258 913002731 /nfs/dbraw/zinc/00/27/31/913002731.db2.gz MBVYBWNFEFNTQX-LJQANCHMSA-N 2 2 384.351 3.512 20 0 GHADLP CC[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C1(C(=O)OC)CCC1 ZINC000498934992 886171650 /nfs/dbraw/zinc/17/16/50/886171650.db2.gz UNOVESJKPRNHOW-ICSRJNTNSA-N 2 2 388.552 3.598 20 0 GHADLP CC(C)[C@@H](c1ccccc1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000112747089 886272322 /nfs/dbraw/zinc/27/23/22/886272322.db2.gz MBCWQGUCOLUPPH-QFIPXVFZSA-N 2 2 386.584 3.584 20 0 GHADLP COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000119331419 886595383 /nfs/dbraw/zinc/59/53/83/886595383.db2.gz VEOLCBBXCVOTCP-IBGZPJMESA-N 2 2 396.531 3.723 20 0 GHADLP COC(=O)[C@H](C)Oc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000119331419 886595400 /nfs/dbraw/zinc/59/54/00/886595400.db2.gz VEOLCBBXCVOTCP-IBGZPJMESA-N 2 2 396.531 3.723 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119514894 886701179 /nfs/dbraw/zinc/70/11/79/886701179.db2.gz DMNYZFMJMJXEFT-KNQAVFIVSA-N 2 2 388.515 3.757 20 0 GHADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000132283920 886773695 /nfs/dbraw/zinc/77/36/95/886773695.db2.gz PVXUEDGSIXGDSJ-SFHVURJKSA-N 2 2 377.488 3.986 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000236932364 886896326 /nfs/dbraw/zinc/89/63/26/886896326.db2.gz XBUUFLOKHXPVGG-AWEZNQCLSA-N 2 2 377.330 3.661 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000236932364 886896351 /nfs/dbraw/zinc/89/63/51/886896351.db2.gz XBUUFLOKHXPVGG-AWEZNQCLSA-N 2 2 377.330 3.661 20 0 GHADLP CC1CC[NH+](CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)CC1 ZINC001168499124 887458954 /nfs/dbraw/zinc/45/89/54/887458954.db2.gz ARZVXYXXKNLZLF-HZPDHXFCSA-N 2 2 393.494 3.638 20 0 GHADLP Cn1c[nH+]cc1CC[N@H+](CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000459337899 887491642 /nfs/dbraw/zinc/49/16/42/887491642.db2.gz LZJIUUUOSALIQA-UHFFFAOYSA-N 2 2 399.922 3.690 20 0 GHADLP Cn1c[nH+]cc1CC[N@@H+](CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000459337899 887491650 /nfs/dbraw/zinc/49/16/50/887491650.db2.gz LZJIUUUOSALIQA-UHFFFAOYSA-N 2 2 399.922 3.690 20 0 GHADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000459354438 887592191 /nfs/dbraw/zinc/59/21/91/887592191.db2.gz XPQRTUWZLLLKBQ-UHFFFAOYSA-N 2 2 393.466 3.804 20 0 GHADLP Cn1c[nH+]cc1CC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000459354438 887592202 /nfs/dbraw/zinc/59/22/02/887592202.db2.gz XPQRTUWZLLLKBQ-UHFFFAOYSA-N 2 2 393.466 3.804 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC000809627826 887628347 /nfs/dbraw/zinc/62/83/47/887628347.db2.gz HPQGHLBMMBJGHX-QLOJAFMTSA-N 2 2 384.524 3.887 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N(Cc3ccccc3)CC3CCC3)CC2)CC1 ZINC000051761695 887782254 /nfs/dbraw/zinc/78/22/54/887782254.db2.gz HETKTFHZSLOWRF-UHFFFAOYSA-N 2 2 398.595 3.557 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000809962101 888003599 /nfs/dbraw/zinc/00/35/99/888003599.db2.gz CGDGYEPUVHOVTC-BZSNNMDCSA-N 2 2 376.545 3.920 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000809962101 888003610 /nfs/dbraw/zinc/00/36/10/888003610.db2.gz CGDGYEPUVHOVTC-BZSNNMDCSA-N 2 2 376.545 3.920 20 0 GHADLP O[C@H](CNc1ccn2cc[nH+]c2c1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001170595251 888124632 /nfs/dbraw/zinc/12/46/32/888124632.db2.gz IRIGMAXITILWCT-HSZRJFAPSA-N 2 2 386.499 3.810 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccncc3Br)CC2)cc1 ZINC000865475746 888374691 /nfs/dbraw/zinc/37/46/91/888374691.db2.gz DRRBETKKVGSSRG-UHFFFAOYSA-N 2 2 389.341 3.669 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000810730133 888828925 /nfs/dbraw/zinc/82/89/25/888828925.db2.gz ASXKVZCWKLCDBK-ZWOKBUDYSA-N 2 2 399.913 3.553 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000810730133 888828941 /nfs/dbraw/zinc/82/89/41/888828941.db2.gz ASXKVZCWKLCDBK-ZWOKBUDYSA-N 2 2 399.913 3.553 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000810730133 888828954 /nfs/dbraw/zinc/82/89/54/888828954.db2.gz ASXKVZCWKLCDBK-ZWOKBUDYSA-N 2 2 399.913 3.553 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000810730133 888828965 /nfs/dbraw/zinc/82/89/65/888828965.db2.gz ASXKVZCWKLCDBK-ZWOKBUDYSA-N 2 2 399.913 3.553 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(C)c1 ZINC000532753370 888882595 /nfs/dbraw/zinc/88/25/95/888882595.db2.gz HPCIXGSGVUDRPD-RBBKRZOGSA-N 2 2 395.551 3.511 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[NH+](C3CCCC3)CC2)c(C)c1 ZINC000532753855 888885434 /nfs/dbraw/zinc/88/54/34/888885434.db2.gz UFDBGGNRJJGUFZ-QFIPXVFZSA-N 2 2 395.551 3.511 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868184502 889340323 /nfs/dbraw/zinc/34/03/23/889340323.db2.gz RJYAKUUMXZMPCA-LEWJYISDSA-N 2 2 393.535 3.667 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2OC[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000287479680 913363264 /nfs/dbraw/zinc/36/32/64/913363264.db2.gz XAELBGYGHQHFSQ-LSWJPFSZSA-N 2 2 395.547 3.640 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2OC[C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000287479680 913363279 /nfs/dbraw/zinc/36/32/79/913363279.db2.gz XAELBGYGHQHFSQ-LSWJPFSZSA-N 2 2 395.547 3.640 20 0 GHADLP CN(C(=O)Cc1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124797363 889766430 /nfs/dbraw/zinc/76/64/30/889766430.db2.gz KASYZCHJABQMQR-SFTDATJTSA-N 2 2 391.987 3.678 20 0 GHADLP CN(C(=O)Cc1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124797363 889766436 /nfs/dbraw/zinc/76/64/36/889766436.db2.gz KASYZCHJABQMQR-SFTDATJTSA-N 2 2 391.987 3.678 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000124800916 889767246 /nfs/dbraw/zinc/76/72/46/889767246.db2.gz AMBIPCOVMHHSRO-RTBURBONSA-N 2 2 377.598 3.774 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000124800916 889767259 /nfs/dbraw/zinc/76/72/59/889767259.db2.gz AMBIPCOVMHHSRO-RTBURBONSA-N 2 2 377.598 3.774 20 0 GHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@](C)(O)C[NH+](C)C)c(C)c1 ZINC000533104314 889777114 /nfs/dbraw/zinc/77/71/14/889777114.db2.gz WBMLAQOSJDGEJU-DEOSSOPVSA-N 2 2 392.547 3.558 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000533105974 889778888 /nfs/dbraw/zinc/77/88/88/889778888.db2.gz BAJHQJHDLUIQIV-XMMPIXPASA-N 2 2 391.490 3.614 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000533105974 889778896 /nfs/dbraw/zinc/77/88/96/889778896.db2.gz BAJHQJHDLUIQIV-XMMPIXPASA-N 2 2 391.490 3.614 20 0 GHADLP [NH3+]C1CCC(N(c2ccc(N3CCOCC3)c[nH+]2)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001170644647 889992275 /nfs/dbraw/zinc/99/22/75/889992275.db2.gz ROSKEVPSWPMPDX-ZYFYDLNSSA-N 2 2 392.547 3.551 20 0 GHADLP Cc1sc2nc([C@@H](C)[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)nc(N)c2c1C ZINC000245952801 890069070 /nfs/dbraw/zinc/06/90/70/890069070.db2.gz CGFBFLMQPRJXNV-HIFRSBDPSA-N 2 2 384.553 3.640 20 0 GHADLP Cc1sc2nc([C@@H](C)[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)nc(N)c2c1C ZINC000245952801 890069081 /nfs/dbraw/zinc/06/90/81/890069081.db2.gz CGFBFLMQPRJXNV-HIFRSBDPSA-N 2 2 384.553 3.640 20 0 GHADLP [NH3+]C[C@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)c1ccc(Br)cc1 ZINC001170672577 890496533 /nfs/dbraw/zinc/49/65/33/890496533.db2.gz ISKPLILCXCVBGU-YJBOKZPZSA-N 2 2 381.264 3.874 20 0 GHADLP C[N@H+](CCCCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CC1 ZINC000455288351 890659284 /nfs/dbraw/zinc/65/92/84/890659284.db2.gz KXORSTKTGBFGFJ-UHFFFAOYSA-N 2 2 381.524 3.882 20 0 GHADLP C[N@@H+](CCCCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CC1 ZINC000455288351 890659286 /nfs/dbraw/zinc/65/92/86/890659286.db2.gz KXORSTKTGBFGFJ-UHFFFAOYSA-N 2 2 381.524 3.882 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CCC(C[NH+](C)C)CC3)n2)C1 ZINC000533543314 890806588 /nfs/dbraw/zinc/80/65/88/890806588.db2.gz SWHNLEOFBLENTN-KLAILNCOSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CCC(C[NH+](C)C)CC3)n2)C1 ZINC000533543314 890806604 /nfs/dbraw/zinc/80/66/04/890806604.db2.gz SWHNLEOFBLENTN-KLAILNCOSA-N 2 2 393.601 3.617 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000812719446 890896384 /nfs/dbraw/zinc/89/63/84/890896384.db2.gz SWLOLZFLIHFUOH-PKOBYXMFSA-N 2 2 397.604 3.501 20 0 GHADLP Cc1cc(C)c(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)[nH+]1 ZINC000455494697 891019649 /nfs/dbraw/zinc/01/96/49/891019649.db2.gz FBPPTKSIZAPDDE-NHCUHLMSSA-N 2 2 378.520 3.993 20 0 GHADLP Cc1cc(C)c(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C)[nH+]1 ZINC000455494697 891019663 /nfs/dbraw/zinc/01/96/63/891019663.db2.gz FBPPTKSIZAPDDE-NHCUHLMSSA-N 2 2 378.520 3.993 20 0 GHADLP COc1cccc(OCCC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000812833863 891020073 /nfs/dbraw/zinc/02/00/73/891020073.db2.gz ASHYQEAKXNJFBJ-UHFFFAOYSA-N 2 2 383.536 3.789 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000812837223 891025717 /nfs/dbraw/zinc/02/57/17/891025717.db2.gz ASJISVOUGVWGSB-UHFFFAOYSA-N 2 2 395.547 3.715 20 0 GHADLP Cc1ccc2c(ccc(C)c2C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000872143344 891182552 /nfs/dbraw/zinc/18/25/52/891182552.db2.gz OZYXNXKWWPWDRW-UHFFFAOYSA-N 2 2 375.520 3.531 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c[nH+]1 ZINC000455558730 891213164 /nfs/dbraw/zinc/21/31/64/891213164.db2.gz NIELOZAMJIHMSJ-DEOSSOPVSA-N 2 2 392.547 3.896 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c[nH+]1 ZINC000455558730 891213175 /nfs/dbraw/zinc/21/31/75/891213175.db2.gz NIELOZAMJIHMSJ-DEOSSOPVSA-N 2 2 392.547 3.896 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000246479862 891271891 /nfs/dbraw/zinc/27/18/91/891271891.db2.gz REZHEFYTWMYXED-OXQOHEQNSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000246479862 891271908 /nfs/dbraw/zinc/27/19/08/891271908.db2.gz REZHEFYTWMYXED-OXQOHEQNSA-N 2 2 375.463 3.726 20 0 GHADLP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1OC ZINC000248124292 891411022 /nfs/dbraw/zinc/41/10/22/891411022.db2.gz NSSWORRQLDNWKO-WIYYLYMNSA-N 2 2 397.563 3.877 20 0 GHADLP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1OC ZINC000248124292 891411027 /nfs/dbraw/zinc/41/10/27/891411027.db2.gz NSSWORRQLDNWKO-WIYYLYMNSA-N 2 2 397.563 3.877 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1ccc2nc(C)sc2c1)[C@H]1CC12CC[NH2+]CC2 ZINC000261780275 892109170 /nfs/dbraw/zinc/10/91/70/892109170.db2.gz FIQWDZAMPZWLFZ-FQEVSTJZSA-N 2 2 395.576 3.965 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1ccc2nc(C)sc2c1)[C@H]1CC12CC[NH2+]CC2 ZINC000261780275 892109185 /nfs/dbraw/zinc/10/91/85/892109185.db2.gz FIQWDZAMPZWLFZ-FQEVSTJZSA-N 2 2 395.576 3.965 20 0 GHADLP C[NH2+]CCC1CC[NH+]([C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)CC1 ZINC000262024997 892199651 /nfs/dbraw/zinc/19/96/51/892199651.db2.gz ZEEQGMJRENNHOR-KGLIPLIRSA-N 2 2 388.581 3.904 20 0 GHADLP COc1cccc(O[C@@H](C)C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000125140972 892312955 /nfs/dbraw/zinc/31/29/55/892312955.db2.gz VLOKKXOUAOMJQQ-SFHVURJKSA-N 2 2 383.536 3.787 20 0 GHADLP O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000876033522 892919373 /nfs/dbraw/zinc/91/93/73/892919373.db2.gz WJFKLABETXZPRE-JOCHJYFZSA-N 2 2 395.551 3.532 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508721007 892973102 /nfs/dbraw/zinc/97/31/02/892973102.db2.gz OGQCKBYFYAERCM-SQJMNOBHSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721007 892973111 /nfs/dbraw/zinc/97/31/11/892973111.db2.gz OGQCKBYFYAERCM-SQJMNOBHSA-N 3 2 393.575 3.519 20 0 GHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c2ccccc21 ZINC000562957077 893214359 /nfs/dbraw/zinc/21/43/59/893214359.db2.gz SOGBFJABMAAOOC-BRWVUGGUSA-N 2 2 376.287 3.833 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](C3CCC3)C3CCCCC3)CC2)CC1 ZINC000645205271 913753091 /nfs/dbraw/zinc/75/30/91/913753091.db2.gz NUNMYUDLQODJLZ-JOCHJYFZSA-N 2 2 390.616 3.593 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000815101952 893472235 /nfs/dbraw/zinc/47/22/35/893472235.db2.gz DHPZLPXTELYNCW-RHSMWYFYSA-N 2 2 389.765 3.726 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000815101952 893472248 /nfs/dbraw/zinc/47/22/48/893472248.db2.gz DHPZLPXTELYNCW-RHSMWYFYSA-N 2 2 389.765 3.726 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000126331516 893481197 /nfs/dbraw/zinc/48/11/97/893481197.db2.gz RHGSZZWKFVKAKR-SFHVURJKSA-N 2 2 396.535 3.513 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000126331516 893481210 /nfs/dbraw/zinc/48/12/10/893481210.db2.gz RHGSZZWKFVKAKR-SFHVURJKSA-N 2 2 396.535 3.513 20 0 GHADLP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444788850 893508341 /nfs/dbraw/zinc/50/83/41/893508341.db2.gz BAUNLKXXIBVANB-KGLIPLIRSA-N 2 2 380.414 3.646 20 0 GHADLP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444788850 893508372 /nfs/dbraw/zinc/50/83/72/893508372.db2.gz BAUNLKXXIBVANB-KGLIPLIRSA-N 2 2 380.414 3.646 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444791908 893530110 /nfs/dbraw/zinc/53/01/10/893530110.db2.gz MEBGMIAMSCULSZ-NJNPRVFISA-N 2 2 394.563 3.744 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444791908 893530123 /nfs/dbraw/zinc/53/01/23/893530123.db2.gz MEBGMIAMSCULSZ-NJNPRVFISA-N 2 2 394.563 3.744 20 0 GHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000129542966 893595207 /nfs/dbraw/zinc/59/52/07/893595207.db2.gz LNHOMXUXNMYKEK-YUXAGFNASA-N 2 2 396.535 3.528 20 0 GHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000129542966 893595215 /nfs/dbraw/zinc/59/52/15/893595215.db2.gz LNHOMXUXNMYKEK-YUXAGFNASA-N 2 2 396.535 3.528 20 0 GHADLP Clc1csc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)n1 ZINC000877552799 893685482 /nfs/dbraw/zinc/68/54/82/893685482.db2.gz XAYBAJOOZHBYRK-QGZVFWFLSA-N 2 2 391.968 3.815 20 0 GHADLP Clc1csc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)n1 ZINC000877552799 893685491 /nfs/dbraw/zinc/68/54/91/893685491.db2.gz XAYBAJOOZHBYRK-QGZVFWFLSA-N 2 2 391.968 3.815 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000536876439 893992522 /nfs/dbraw/zinc/99/25/22/893992522.db2.gz LMVQSMDGNRWVDC-SJLPKXTDSA-N 2 2 399.489 3.869 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000536876439 893992531 /nfs/dbraw/zinc/99/25/31/893992531.db2.gz LMVQSMDGNRWVDC-SJLPKXTDSA-N 2 2 399.489 3.869 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(Br)cc1Cl ZINC000537035858 894244326 /nfs/dbraw/zinc/24/43/26/894244326.db2.gz ZXCKNPYIKACCMD-UHFFFAOYSA-N 2 2 388.781 3.560 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(Br)cc1Cl ZINC000537035858 894244335 /nfs/dbraw/zinc/24/43/35/894244335.db2.gz ZXCKNPYIKACCMD-UHFFFAOYSA-N 2 2 388.781 3.560 20 0 GHADLP COc1ccc(Cl)c(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001137263458 894711220 /nfs/dbraw/zinc/71/12/20/894711220.db2.gz ORYHDKALBHIIJH-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP COc1ccc(Cl)c(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001137263458 894711222 /nfs/dbraw/zinc/71/12/22/894711222.db2.gz ORYHDKALBHIIJH-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP CC(C)[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC000537409183 894928052 /nfs/dbraw/zinc/92/80/52/894928052.db2.gz BRSSXLWQPSNYMU-CTNGQTDRSA-N 2 2 379.976 3.645 20 0 GHADLP C[C@@H](NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000888777062 895129134 /nfs/dbraw/zinc/12/91/34/895129134.db2.gz IOLSFLFPOGQBDO-UAFMIMERSA-N 2 2 399.583 3.757 20 0 GHADLP C[C@@H](NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000888777062 895129146 /nfs/dbraw/zinc/12/91/46/895129146.db2.gz IOLSFLFPOGQBDO-UAFMIMERSA-N 2 2 399.583 3.757 20 0 GHADLP CC(C)CCc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000564629353 895140991 /nfs/dbraw/zinc/14/09/91/895140991.db2.gz BIEDRBZIEWHGLZ-UHFFFAOYSA-N 2 2 386.584 3.955 20 0 GHADLP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000760326326 895204816 /nfs/dbraw/zinc/20/48/16/895204816.db2.gz MODBHMAJNSQVRS-XNJGSVPQSA-N 2 2 385.733 3.543 20 0 GHADLP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000760326326 895204830 /nfs/dbraw/zinc/20/48/30/895204830.db2.gz MODBHMAJNSQVRS-XNJGSVPQSA-N 2 2 385.733 3.543 20 0 GHADLP O[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000817274074 895456560 /nfs/dbraw/zinc/45/65/60/895456560.db2.gz ATPSJEHNGWYXMT-DEOSSOPVSA-N 2 2 398.522 3.604 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000565519864 895696274 /nfs/dbraw/zinc/69/62/74/895696274.db2.gz BQCILVNBGQVFAM-YOEHRIQHSA-N 2 2 399.457 3.909 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000565519864 895696278 /nfs/dbraw/zinc/69/62/78/895696278.db2.gz BQCILVNBGQVFAM-YOEHRIQHSA-N 2 2 399.457 3.909 20 0 GHADLP CCCC[C@@H](CC)CNC(=S)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817565858 895737274 /nfs/dbraw/zinc/73/72/74/895737274.db2.gz GVRCDEFIUQPUSF-LJQANCHMSA-N 2 2 382.662 3.569 20 0 GHADLP CCCC[C@@H](CC)CNC(=S)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817565858 895737286 /nfs/dbraw/zinc/73/72/86/895737286.db2.gz GVRCDEFIUQPUSF-LJQANCHMSA-N 2 2 382.662 3.569 20 0 GHADLP CCCOc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1OCC ZINC000565843355 895924313 /nfs/dbraw/zinc/92/43/13/895924313.db2.gz MIRMMCUATKZSNH-FQEVSTJZSA-N 2 2 376.541 3.561 20 0 GHADLP CCCOc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1OCC ZINC000565843355 895924322 /nfs/dbraw/zinc/92/43/22/895924322.db2.gz MIRMMCUATKZSNH-FQEVSTJZSA-N 2 2 376.541 3.561 20 0 GHADLP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000819184165 896453868 /nfs/dbraw/zinc/45/38/68/896453868.db2.gz CHYHMQOBIHFMHD-FCHUYYIVSA-N 2 2 395.503 3.582 20 0 GHADLP O[C@@H](C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc2ccccc21 ZINC000819264161 896551369 /nfs/dbraw/zinc/55/13/69/896551369.db2.gz MYANRWJHKMWNCI-DHLKQENFSA-N 2 2 390.527 3.754 20 0 GHADLP O[C@@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc2ccccc21 ZINC000819264161 896551377 /nfs/dbraw/zinc/55/13/77/896551377.db2.gz MYANRWJHKMWNCI-DHLKQENFSA-N 2 2 390.527 3.754 20 0 GHADLP O[C@@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1Cl ZINC000819275892 896560889 /nfs/dbraw/zinc/56/08/89/896560889.db2.gz VWRLBRKEXNUENK-KVULBXGLSA-N 2 2 376.850 3.768 20 0 GHADLP Cc1cc(C)cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826264649 896753654 /nfs/dbraw/zinc/75/36/54/896753654.db2.gz VNGKCFUJMKNQJI-GOSISDBHSA-N 2 2 390.535 3.799 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC000883279135 897436578 /nfs/dbraw/zinc/43/65/78/897436578.db2.gz JRBHKCYHQVRSPS-PKOBYXMFSA-N 2 2 390.572 3.575 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC000883279135 897436587 /nfs/dbraw/zinc/43/65/87/897436587.db2.gz JRBHKCYHQVRSPS-PKOBYXMFSA-N 2 2 390.572 3.575 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000883386366 897548188 /nfs/dbraw/zinc/54/81/88/897548188.db2.gz DUDFBJZUAYNFRI-UTKZUKDTSA-N 2 2 398.532 3.737 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000568166105 897650530 /nfs/dbraw/zinc/65/05/30/897650530.db2.gz CPFXNHAGDWEYQX-NSHDSACASA-N 2 2 378.263 3.766 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000568166105 897650535 /nfs/dbraw/zinc/65/05/35/897650535.db2.gz CPFXNHAGDWEYQX-NSHDSACASA-N 2 2 378.263 3.766 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000569052775 898302474 /nfs/dbraw/zinc/30/24/74/898302474.db2.gz UJBJPJUJXKWBED-UHFFFAOYSA-N 2 2 390.329 3.768 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000569052775 898302490 /nfs/dbraw/zinc/30/24/90/898302490.db2.gz UJBJPJUJXKWBED-UHFFFAOYSA-N 2 2 390.329 3.768 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000111243335 898794167 /nfs/dbraw/zinc/79/41/67/898794167.db2.gz HMOPURLXNZEEIF-ZDUSSCGKSA-N 2 2 381.307 3.704 20 0 GHADLP COc1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(C)c1OC ZINC000569994944 899061643 /nfs/dbraw/zinc/06/16/43/899061643.db2.gz YNFGKSWGJOEACR-WMZOPIPTSA-N 2 2 384.524 3.721 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000824209710 899455706 /nfs/dbraw/zinc/45/57/06/899455706.db2.gz WARSDNWBUNDAPT-NCXUSEDFSA-N 2 2 388.556 3.746 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000824209713 899455896 /nfs/dbraw/zinc/45/58/96/899455896.db2.gz WARSDNWBUNDAPT-ZSYWTGECSA-N 2 2 388.556 3.746 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000570700188 899517626 /nfs/dbraw/zinc/51/76/26/899517626.db2.gz IFKISAXPJUFCBB-GAJHUEQPSA-N 2 2 379.504 3.723 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000570700188 899517634 /nfs/dbraw/zinc/51/76/34/899517634.db2.gz IFKISAXPJUFCBB-GAJHUEQPSA-N 2 2 379.504 3.723 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000824477066 899620856 /nfs/dbraw/zinc/62/08/56/899620856.db2.gz AQLXOUYKIUJPKS-ZIAGYGMSSA-N 2 2 397.853 3.982 20 0 GHADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333012658 899891234 /nfs/dbraw/zinc/89/12/34/899891234.db2.gz GDXSGBAKPIMJGI-WKRCXCSHSA-N 2 2 386.584 3.728 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCO[C@@H](c4ccncc4)C3)CC2)cc1 ZINC000824954124 899906220 /nfs/dbraw/zinc/90/62/20/899906220.db2.gz OORHVXGKXIXOFQ-NFBKMPQASA-N 2 2 380.536 3.626 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2c[nH]c4cccc(F)c24)CC3)cn1 ZINC001136983146 899956666 /nfs/dbraw/zinc/95/66/66/899956666.db2.gz NWLRXEOMRGIMAL-UHFFFAOYSA-N 2 2 381.499 3.671 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2c[nH]c4cccc(F)c24)CC3)cn1 ZINC001136983146 899956668 /nfs/dbraw/zinc/95/66/68/899956668.db2.gz NWLRXEOMRGIMAL-UHFFFAOYSA-N 2 2 381.499 3.671 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000571969528 900023594 /nfs/dbraw/zinc/02/35/94/900023594.db2.gz WNQAWBTVYXOSQM-NQIIRXRSSA-N 2 2 388.515 3.504 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000571969528 900023602 /nfs/dbraw/zinc/02/36/02/900023602.db2.gz WNQAWBTVYXOSQM-NQIIRXRSSA-N 2 2 388.515 3.504 20 0 GHADLP Cc1ccc2nc(C[NH+]3CCC4(CCC[N@H+]4Cc4cnn(C)c4)CC3)ccc2c1 ZINC001137213059 900225974 /nfs/dbraw/zinc/22/59/74/900225974.db2.gz MMIMLYRPUXXLFT-UHFFFAOYSA-N 2 2 389.547 3.907 20 0 GHADLP Cc1ccc2nc(C[NH+]3CCC4(CCC[N@@H+]4Cc4cnn(C)c4)CC3)ccc2c1 ZINC001137213059 900225987 /nfs/dbraw/zinc/22/59/87/900225987.db2.gz MMIMLYRPUXXLFT-UHFFFAOYSA-N 2 2 389.547 3.907 20 0 GHADLP COC(=O)[C@H](c1ccc(F)cc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000573382794 900487536 /nfs/dbraw/zinc/48/75/36/900487536.db2.gz JZZSTCDXBSXZOZ-NRFANRHFSA-N 2 2 385.483 3.673 20 0 GHADLP COC(=O)[C@H](c1ccc(F)cc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000573382794 900487541 /nfs/dbraw/zinc/48/75/41/900487541.db2.gz JZZSTCDXBSXZOZ-NRFANRHFSA-N 2 2 385.483 3.673 20 0 GHADLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(C(F)(F)F)c(Cl)c3)CC2)CC1 ZINC001143807696 900535981 /nfs/dbraw/zinc/53/59/81/900535981.db2.gz IIOABJDBJRDHTH-UHFFFAOYSA-N 2 2 375.866 3.571 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886522248 901118436 /nfs/dbraw/zinc/11/84/36/901118436.db2.gz FUSZFRGTRQGFPS-KSZLIROESA-N 2 2 378.442 3.588 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886522248 901118437 /nfs/dbraw/zinc/11/84/37/901118437.db2.gz FUSZFRGTRQGFPS-KSZLIROESA-N 2 2 378.442 3.588 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1CC(c2ccc(Cl)cc2)=CC1=O ZINC000844702221 901215153 /nfs/dbraw/zinc/21/51/53/901215153.db2.gz BKUIXKTXCRHUOB-UHFFFAOYSA-N 2 2 386.927 3.694 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1CC(c2ccc(Cl)cc2)=CC1=O ZINC000844702221 901215165 /nfs/dbraw/zinc/21/51/65/901215165.db2.gz BKUIXKTXCRHUOB-UHFFFAOYSA-N 2 2 386.927 3.694 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000093318474 901540964 /nfs/dbraw/zinc/54/09/64/901540964.db2.gz ZJDZYFRCIGTEKZ-PGRDOPGGSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000093318474 901540970 /nfs/dbraw/zinc/54/09/70/901540970.db2.gz ZJDZYFRCIGTEKZ-PGRDOPGGSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2-c2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000093318474 901540979 /nfs/dbraw/zinc/54/09/79/901540979.db2.gz ZJDZYFRCIGTEKZ-PGRDOPGGSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2c[nH]nc2-c2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000093318474 901540986 /nfs/dbraw/zinc/54/09/86/901540986.db2.gz ZJDZYFRCIGTEKZ-PGRDOPGGSA-N 2 2 375.520 3.957 20 0 GHADLP Cc1c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cccc1C(F)(F)F ZINC000122202188 901745736 /nfs/dbraw/zinc/74/57/36/901745736.db2.gz KACBZQRVVMGQOI-UHFFFAOYSA-N 2 2 398.473 3.694 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2c[nH]c4nc(Cl)ccc24)CC3)cn1 ZINC001144412053 902075916 /nfs/dbraw/zinc/07/59/16/902075916.db2.gz DTFLGWBNNCRPPC-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2c[nH]c4nc(Cl)ccc24)CC3)cn1 ZINC001144412053 902075926 /nfs/dbraw/zinc/07/59/26/902075926.db2.gz DTFLGWBNNCRPPC-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP CCC[N@H+](C)[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccc(Cl)cc1 ZINC000576708911 902207504 /nfs/dbraw/zinc/20/75/04/902207504.db2.gz LWXXNPMJIBKEFT-FQEVSTJZSA-N 2 2 397.910 3.734 20 0 GHADLP CCC[N@@H+](C)[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccc(Cl)cc1 ZINC000576708911 902207516 /nfs/dbraw/zinc/20/75/16/902207516.db2.gz LWXXNPMJIBKEFT-FQEVSTJZSA-N 2 2 397.910 3.734 20 0 GHADLP CC1(C)CCC[N@H+](CCNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000333602054 902215723 /nfs/dbraw/zinc/21/57/23/902215723.db2.gz YTCNVOYYNPNEGW-IBGZPJMESA-N 2 2 386.584 3.731 20 0 GHADLP CC1(C)CCC[N@@H+](CCNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000333602054 902215739 /nfs/dbraw/zinc/21/57/39/902215739.db2.gz YTCNVOYYNPNEGW-IBGZPJMESA-N 2 2 386.584 3.731 20 0 GHADLP C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000576841655 902296126 /nfs/dbraw/zinc/29/61/26/902296126.db2.gz XJFSNPHFRDBPNN-ZQONDGBOSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000576841655 902296136 /nfs/dbraw/zinc/29/61/36/902296136.db2.gz XJFSNPHFRDBPNN-ZQONDGBOSA-N 2 2 392.632 3.790 20 0 GHADLP Cc1cn2cc(NC(=O)N3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH+]1 ZINC000577105016 902504515 /nfs/dbraw/zinc/50/45/15/902504515.db2.gz AJNYEBGALPXZOW-WOJBJXKFSA-N 2 2 389.503 3.629 20 0 GHADLP Cc1cn2cc(NC(=O)N3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH+]1 ZINC000577105016 902504530 /nfs/dbraw/zinc/50/45/30/902504530.db2.gz AJNYEBGALPXZOW-WOJBJXKFSA-N 2 2 389.503 3.629 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263878458 902637136 /nfs/dbraw/zinc/63/71/36/902637136.db2.gz ZUGLKCGZYMJRKE-GOSISDBHSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263878458 902637142 /nfs/dbraw/zinc/63/71/42/902637142.db2.gz ZUGLKCGZYMJRKE-GOSISDBHSA-N 2 2 395.551 3.873 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000130125208 902899697 /nfs/dbraw/zinc/89/96/97/902899697.db2.gz XWTPQQALJDCGDO-GHTZIAJQSA-N 2 2 399.539 3.719 20 0 GHADLP C[C@@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000600945734 903143821 /nfs/dbraw/zinc/14/38/21/903143821.db2.gz JPSYCCAAIIXMQT-KKSFZXQISA-N 2 2 385.939 3.506 20 0 GHADLP C[C@@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000600945734 903143828 /nfs/dbraw/zinc/14/38/28/903143828.db2.gz JPSYCCAAIIXMQT-KKSFZXQISA-N 2 2 385.939 3.506 20 0 GHADLP C[C@@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000600945728 903144425 /nfs/dbraw/zinc/14/44/25/903144425.db2.gz JPSYCCAAIIXMQT-HRAATJIYSA-N 2 2 385.939 3.506 20 0 GHADLP C[C@@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000600945728 903144432 /nfs/dbraw/zinc/14/44/32/903144432.db2.gz JPSYCCAAIIXMQT-HRAATJIYSA-N 2 2 385.939 3.506 20 0 GHADLP CC[N@@H+]1CCC[C@H]1CN(Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccncc1 ZINC000577901401 903324029 /nfs/dbraw/zinc/32/40/29/903324029.db2.gz HCARINCMMVTHJY-IBGZPJMESA-N 2 2 381.549 3.815 20 0 GHADLP CC[N@H+]1CCC[C@H]1CN(Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccncc1 ZINC000577901401 903324039 /nfs/dbraw/zinc/32/40/39/903324039.db2.gz HCARINCMMVTHJY-IBGZPJMESA-N 2 2 381.549 3.815 20 0 GHADLP CCc1cnc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)s1 ZINC000578050978 903477541 /nfs/dbraw/zinc/47/75/41/903477541.db2.gz QLCHZEUIZHGZMX-UHFFFAOYSA-N 2 2 388.581 3.822 20 0 GHADLP CCc1cnc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)s1 ZINC000578050978 903477551 /nfs/dbraw/zinc/47/75/51/903477551.db2.gz QLCHZEUIZHGZMX-UHFFFAOYSA-N 2 2 388.581 3.822 20 0 GHADLP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578170640 903584070 /nfs/dbraw/zinc/58/40/70/903584070.db2.gz GHPZTDLKTVCHBD-GBESFXJTSA-N 2 2 390.572 3.538 20 0 GHADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578170640 903584085 /nfs/dbraw/zinc/58/40/85/903584085.db2.gz GHPZTDLKTVCHBD-GBESFXJTSA-N 2 2 390.572 3.538 20 0 GHADLP CCCC[NH+](C)C[C@H](C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578170640 903584089 /nfs/dbraw/zinc/58/40/89/903584089.db2.gz GHPZTDLKTVCHBD-GBESFXJTSA-N 2 2 390.572 3.538 20 0 GHADLP CCCC[NH+](C)C[C@H](C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578170640 903584098 /nfs/dbraw/zinc/58/40/98/903584098.db2.gz GHPZTDLKTVCHBD-GBESFXJTSA-N 2 2 390.572 3.538 20 0 GHADLP c1cn(-c2ccccc2-c2noc(-c3ccc(CC[NH+]4CCCC4)nc3)n2)c[nH+]1 ZINC001212616275 903616775 /nfs/dbraw/zinc/61/67/75/903616775.db2.gz UGPSCIAHUKEXNQ-UHFFFAOYSA-N 2 2 386.459 3.623 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000578443492 903848426 /nfs/dbraw/zinc/84/84/26/903848426.db2.gz YJRPGCWSXPDCSB-SXGZJXTBSA-N 2 2 387.911 3.698 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000578443492 903848430 /nfs/dbraw/zinc/84/84/30/903848430.db2.gz YJRPGCWSXPDCSB-SXGZJXTBSA-N 2 2 387.911 3.698 20 0 GHADLP [NH3+]C[C@H]([NH2+][C@H]1CCc2c(F)cc(F)cc2C1)c1ccc(Br)cc1 ZINC001171344292 904322016 /nfs/dbraw/zinc/32/20/16/904322016.db2.gz BZIDSQMMTSJYOQ-YJBOKZPZSA-N 2 2 381.264 3.874 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000282819606 904326839 /nfs/dbraw/zinc/32/68/39/904326839.db2.gz PBHJHRQMMXLKJQ-UHFFFAOYSA-N 2 2 377.492 3.631 20 0 GHADLP Fc1cc(F)c2c(c1)C[C@@H]([N@@H+]1C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C1)CC2 ZINC001171368322 904361742 /nfs/dbraw/zinc/36/17/42/904361742.db2.gz DFQCPOXBUYZFSY-LMNJBCLMSA-N 2 2 383.486 3.671 20 0 GHADLP Fc1cc(F)c2c(c1)C[C@@H]([N@H+]1C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C1)CC2 ZINC001171368322 904361752 /nfs/dbraw/zinc/36/17/52/904361752.db2.gz DFQCPOXBUYZFSY-LMNJBCLMSA-N 2 2 383.486 3.671 20 0 GHADLP Fc1cc(F)c2c(c1)C[C@@H]([NH+]1C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C1)CC2 ZINC001171368322 904361767 /nfs/dbraw/zinc/36/17/67/904361767.db2.gz DFQCPOXBUYZFSY-LMNJBCLMSA-N 2 2 383.486 3.671 20 0 GHADLP Fc1cc(F)c2c(c1)C[C@@H]([NH+]1C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C1)CC2 ZINC001171368322 904361783 /nfs/dbraw/zinc/36/17/83/904361783.db2.gz DFQCPOXBUYZFSY-LMNJBCLMSA-N 2 2 383.486 3.671 20 0 GHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c2ccccc21 ZINC000579221188 904439862 /nfs/dbraw/zinc/43/98/62/904439862.db2.gz MDHCJVBFOUKLMY-GDIGMMSISA-N 2 2 389.421 3.541 20 0 GHADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000579341700 904530043 /nfs/dbraw/zinc/53/00/43/904530043.db2.gz LTMKZMDVTONPTQ-LAUBAEHRSA-N 2 2 387.955 3.988 20 0 GHADLP CC(C)(C)OC(=O)C1([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CCC([NH3+])CC1 ZINC001171506462 904781804 /nfs/dbraw/zinc/78/18/04/904781804.db2.gz XZJBJXPVBCFHKY-GJGORFQUSA-N 2 2 398.469 3.533 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1C ZINC000646781943 914844694 /nfs/dbraw/zinc/84/46/94/914844694.db2.gz VWKPMORVEYMPHE-NRFANRHFSA-N 2 2 395.547 3.620 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c1C ZINC000646781943 914844712 /nfs/dbraw/zinc/84/47/12/914844712.db2.gz VWKPMORVEYMPHE-NRFANRHFSA-N 2 2 395.547 3.620 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OC(=O)c2cccs2)c(OC)c1 ZINC001137259333 904859429 /nfs/dbraw/zinc/85/94/29/904859429.db2.gz GNRXSXCRIVPLIC-UHFFFAOYSA-N 2 2 385.489 3.695 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OC(=O)c2cccs2)c(OC)c1 ZINC001137259333 904859447 /nfs/dbraw/zinc/85/94/47/904859447.db2.gz GNRXSXCRIVPLIC-UHFFFAOYSA-N 2 2 385.489 3.695 20 0 GHADLP Cc1ccn2c(c1)nnc2C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069201 905336459 /nfs/dbraw/zinc/33/64/59/905336459.db2.gz RZHOBAFPDUJHDC-MZADTFQBSA-N 2 2 375.520 3.713 20 0 GHADLP Cc1ccn2c(c1)nnc2C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069201 905336467 /nfs/dbraw/zinc/33/64/67/905336467.db2.gz RZHOBAFPDUJHDC-MZADTFQBSA-N 2 2 375.520 3.713 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+]([C@@H]4CC[C@H](C)[C@@H](C)C4)CC[C@@H]3C2)cs1 ZINC001172373406 905485911 /nfs/dbraw/zinc/48/59/11/905485911.db2.gz LSENKTVUNDPANG-UAOIFFKFSA-N 2 2 377.598 3.799 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@@H]4CC[C@H](C)[C@@H](C)C4)CC[C@@H]3C2)cs1 ZINC001172373406 905485914 /nfs/dbraw/zinc/48/59/14/905485914.db2.gz LSENKTVUNDPANG-UAOIFFKFSA-N 2 2 377.598 3.799 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@@H]4CC[C@H](C)[C@@H](C)C4)CC[C@@H]3C2)cs1 ZINC001172373406 905485918 /nfs/dbraw/zinc/48/59/18/905485918.db2.gz LSENKTVUNDPANG-UAOIFFKFSA-N 2 2 377.598 3.799 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+]([C@@H]4CC[C@H](C)[C@@H](C)C4)CC[C@@H]3C2)cs1 ZINC001172373406 905485920 /nfs/dbraw/zinc/48/59/20/905485920.db2.gz LSENKTVUNDPANG-UAOIFFKFSA-N 2 2 377.598 3.799 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([NH2+]CC[NH+]3CCCCCC3)CC[C@H]2C1 ZINC001172518718 905612839 /nfs/dbraw/zinc/61/28/39/905612839.db2.gz KFUMQAIMYOTLDZ-VABKMULXSA-N 2 2 383.580 3.783 20 0 GHADLP CC(C)[C@@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1 ZINC000176289469 905809524 /nfs/dbraw/zinc/80/95/24/905809524.db2.gz ROMQPVGDBGPLCG-OAQYLSRUSA-N 2 2 391.987 3.754 20 0 GHADLP Cc1ccc2c(c1)C[C@H]([NH+]1CCC3(CC1)C[N@H+](Cc1ccoc1)CCO3)CC2 ZINC001172831218 905861229 /nfs/dbraw/zinc/86/12/29/905861229.db2.gz IYBYECAOPGQKBB-HSZRJFAPSA-N 2 2 380.532 3.812 20 0 GHADLP Cc1ccc2c(c1)C[C@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccoc1)CCO3)CC2 ZINC001172831218 905861237 /nfs/dbraw/zinc/86/12/37/905861237.db2.gz IYBYECAOPGQKBB-HSZRJFAPSA-N 2 2 380.532 3.812 20 0 GHADLP CC1CCC2(CC1)OC[C@@H](C[NH2+]C1CCN(c3ccc([NH+](C)C)cc3)CC1)O2 ZINC000777315046 905976858 /nfs/dbraw/zinc/97/68/58/905976858.db2.gz MSPDZRVXRKRRBJ-PDGCRQIGSA-N 2 2 387.568 3.633 20 0 GHADLP CC[NH+](CC)CCNC(=O)c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001212696697 906070658 /nfs/dbraw/zinc/07/06/58/906070658.db2.gz GCMGCKBZMWVKJO-UHFFFAOYSA-N 2 2 391.519 3.747 20 0 GHADLP CC[NH+](CC)C1CCC([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)CC1 ZINC001173109528 906194507 /nfs/dbraw/zinc/19/45/07/906194507.db2.gz CHFQXJVCTSOUTQ-XEVCZEQESA-N 3 2 375.605 3.753 20 0 GHADLP CC[NH+](CC)C1CCC([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)CC1 ZINC001173109528 906194516 /nfs/dbraw/zinc/19/45/16/906194516.db2.gz CHFQXJVCTSOUTQ-XEVCZEQESA-N 3 2 375.605 3.753 20 0 GHADLP CC[NH+](CC)C1CCC([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)CC1 ZINC001173109528 906194523 /nfs/dbraw/zinc/19/45/23/906194523.db2.gz CHFQXJVCTSOUTQ-XEVCZEQESA-N 3 2 375.605 3.753 20 0 GHADLP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001173110279 906196831 /nfs/dbraw/zinc/19/68/31/906196831.db2.gz JGQYBYTWXZCSBT-FVELJTHGSA-N 3 2 376.614 3.692 20 0 GHADLP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001173110279 906196843 /nfs/dbraw/zinc/19/68/43/906196843.db2.gz JGQYBYTWXZCSBT-FVELJTHGSA-N 3 2 376.614 3.692 20 0 GHADLP CC[NH+](CC)C1CCC([NH+]2CC[C@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)CC1 ZINC001173110279 906196898 /nfs/dbraw/zinc/19/68/98/906196898.db2.gz JGQYBYTWXZCSBT-FVELJTHGSA-N 3 2 376.614 3.692 20 0 GHADLP CC[NH+](CC)C1CCC([NH+]2CC[C@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001173110279 906196916 /nfs/dbraw/zinc/19/69/16/906196916.db2.gz JGQYBYTWXZCSBT-FVELJTHGSA-N 3 2 376.614 3.692 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](C3CCC4(CCCCC4)CC3)C2)C1 ZINC001173116565 906204554 /nfs/dbraw/zinc/20/45/54/906204554.db2.gz RTQQNEZLJZGSNX-HSZRJFAPSA-N 2 2 378.601 3.940 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](C3CCC4(CCCCC4)CC3)C2)C1 ZINC001173116565 906204569 /nfs/dbraw/zinc/20/45/69/906204569.db2.gz RTQQNEZLJZGSNX-HSZRJFAPSA-N 2 2 378.601 3.940 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](C3CCC4(CCCCC4)CC3)C2)C1 ZINC001173116565 906204584 /nfs/dbraw/zinc/20/45/84/906204584.db2.gz RTQQNEZLJZGSNX-HSZRJFAPSA-N 2 2 378.601 3.940 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](C3CCC4(CCCCC4)CC3)C2)C1 ZINC001173116565 906204601 /nfs/dbraw/zinc/20/46/01/906204601.db2.gz RTQQNEZLJZGSNX-HSZRJFAPSA-N 2 2 378.601 3.940 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173345297 906385006 /nfs/dbraw/zinc/38/50/06/906385006.db2.gz DRALNXBWQAZOSB-JTHBVZDNSA-N 2 2 378.601 3.940 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173345297 906385016 /nfs/dbraw/zinc/38/50/16/906385016.db2.gz DRALNXBWQAZOSB-JTHBVZDNSA-N 2 2 378.601 3.940 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173345297 906385030 /nfs/dbraw/zinc/38/50/30/906385030.db2.gz DRALNXBWQAZOSB-JTHBVZDNSA-N 2 2 378.601 3.940 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173345297 906385043 /nfs/dbraw/zinc/38/50/43/906385043.db2.gz DRALNXBWQAZOSB-JTHBVZDNSA-N 2 2 378.601 3.940 20 0 GHADLP COC(=O)CCCC[C@H](C)[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001173458233 906498540 /nfs/dbraw/zinc/49/85/40/906498540.db2.gz RIIVWLBYNIQQNG-ZDUSSCGKSA-N 2 2 394.313 3.618 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC001173709023 906659745 /nfs/dbraw/zinc/65/97/45/906659745.db2.gz KLYJNLBWQTUZNJ-SFHVURJKSA-N 2 2 396.531 3.667 20 0 GHADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)on1 ZINC000629593128 906884976 /nfs/dbraw/zinc/88/49/76/906884976.db2.gz DVSPUKHOROMGPY-ZRZAMGCNSA-N 2 2 377.488 3.935 20 0 GHADLP COc1ccc2ccccc2c1-c1cc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)on1 ZINC000629593128 906884983 /nfs/dbraw/zinc/88/49/83/906884983.db2.gz DVSPUKHOROMGPY-ZRZAMGCNSA-N 2 2 377.488 3.935 20 0 GHADLP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2OCc2cccnc2)CC[C@@H]1C(F)(F)F ZINC000629652913 906929579 /nfs/dbraw/zinc/92/95/79/906929579.db2.gz CJXTYKNJWFTRCA-ROUUACIJSA-N 2 2 379.426 3.620 20 0 GHADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2OCc2cccnc2)CC[C@@H]1C(F)(F)F ZINC000629652913 906929594 /nfs/dbraw/zinc/92/95/94/906929594.db2.gz CJXTYKNJWFTRCA-ROUUACIJSA-N 2 2 379.426 3.620 20 0 GHADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cn1 ZINC000629657493 906933055 /nfs/dbraw/zinc/93/30/55/906933055.db2.gz YPVVBMRPPWEGKW-SJLPKXTDSA-N 2 2 378.442 3.809 20 0 GHADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cn1 ZINC000629657493 906933066 /nfs/dbraw/zinc/93/30/66/906933066.db2.gz YPVVBMRPPWEGKW-SJLPKXTDSA-N 2 2 378.442 3.809 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000181589682 907033448 /nfs/dbraw/zinc/03/34/48/907033448.db2.gz QIYPOEGNZNFLQS-VQTJNVASSA-N 3 2 396.579 3.898 20 0 GHADLP C[NH+]1CCN(c2ccc(Nc3cc[nH+]c(NC(=O)OC(C)(C)C)c3)cc2)CC1 ZINC001174813034 907245262 /nfs/dbraw/zinc/24/52/62/907245262.db2.gz TUIXGMKXNVHMNF-UHFFFAOYSA-N 2 2 383.496 3.924 20 0 GHADLP C[C@H]1CC[C@@](CO)([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc21 ZINC001176933409 908308267 /nfs/dbraw/zinc/30/82/67/908308267.db2.gz WZUYGRMOBHZABC-OFVILXPXSA-N 2 2 393.575 3.573 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC001176991229 908350841 /nfs/dbraw/zinc/35/08/41/908350841.db2.gz QZCOHELETRIQMR-PKOBYXMFSA-N 2 2 382.508 3.843 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC001176991229 908350854 /nfs/dbraw/zinc/35/08/54/908350854.db2.gz QZCOHELETRIQMR-PKOBYXMFSA-N 2 2 382.508 3.843 20 0 GHADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(F)cc1I)C(C)(C)C ZINC001177823183 908752473 /nfs/dbraw/zinc/75/24/73/908752473.db2.gz RCSHMAKHGKXYKK-OAHLLOKOSA-N 2 2 392.300 3.886 20 0 GHADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC001178172193 908948495 /nfs/dbraw/zinc/94/84/95/908948495.db2.gz ZTHSZLDMEJKYGA-DLBZAZTESA-N 2 2 387.749 3.570 20 0 GHADLP Clc1cc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)ccc1OCCn1cc[nH+]c1 ZINC001178436514 909038269 /nfs/dbraw/zinc/03/82/69/909038269.db2.gz JUSZXVGIBCFGJQ-XLIONFOSSA-N 2 2 375.900 3.663 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000635656422 909317494 /nfs/dbraw/zinc/31/74/94/909317494.db2.gz LRANFBVMKBQWNM-NJAFHUGGSA-N 2 2 394.441 3.546 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000635656422 909317512 /nfs/dbraw/zinc/31/75/12/909317512.db2.gz LRANFBVMKBQWNM-NJAFHUGGSA-N 2 2 394.441 3.546 20 0 GHADLP Cc1nc(C[NH+]2CCC(c3nc(-c4ccc(C[NH+](C)C)cc4)no3)CC2)cs1 ZINC000267052317 909376345 /nfs/dbraw/zinc/37/63/45/909376345.db2.gz JYTCXAWMUDPOQC-UHFFFAOYSA-N 2 2 397.548 3.943 20 0 GHADLP Cc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c(Cl)n1 ZINC001179457217 909537246 /nfs/dbraw/zinc/53/72/46/909537246.db2.gz CVLSBYXTLQJHNF-UHFFFAOYSA-N 2 2 379.335 3.738 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cnc([C@H]4CCCO4)s3)[nH+]c2)CC1 ZINC000270092252 910436446 /nfs/dbraw/zinc/43/64/46/910436446.db2.gz KUYICMVOWVPVAK-GOSISDBHSA-N 2 2 387.553 3.532 20 0 GHADLP c1cc(C2CC[NH+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)CC2)cs1 ZINC001180986171 910490368 /nfs/dbraw/zinc/49/03/68/910490368.db2.gz VWHRSZKQWSHSHV-UHFFFAOYSA-N 2 2 386.561 3.839 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000247147334 911009919 /nfs/dbraw/zinc/00/99/19/911009919.db2.gz SSQRURSZFHGMTL-VQIMIIECSA-N 2 2 389.341 3.686 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000247147334 911009939 /nfs/dbraw/zinc/00/99/39/911009939.db2.gz SSQRURSZFHGMTL-VQIMIIECSA-N 2 2 389.341 3.686 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000247147334 911009959 /nfs/dbraw/zinc/00/99/59/911009959.db2.gz SSQRURSZFHGMTL-VQIMIIECSA-N 2 2 389.341 3.686 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000247147334 911009977 /nfs/dbraw/zinc/00/99/77/911009977.db2.gz SSQRURSZFHGMTL-VQIMIIECSA-N 2 2 389.341 3.686 20 0 GHADLP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3Cl)[NH+](CC)CC)C[C@H]2C1 ZINC001182219850 911309329 /nfs/dbraw/zinc/30/93/29/911309329.db2.gz CPXPSCQJXLVEBE-FUHIMQAGSA-N 2 2 377.960 3.523 20 0 GHADLP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3Cl)[NH+](CC)CC)C[C@H]2C1 ZINC001182219850 911309349 /nfs/dbraw/zinc/30/93/49/911309349.db2.gz CPXPSCQJXLVEBE-FUHIMQAGSA-N 2 2 377.960 3.523 20 0 GHADLP CN(CCCC[NH+]1CCCCC1)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000641806701 911521402 /nfs/dbraw/zinc/52/14/02/911521402.db2.gz CZIFQDFUAJLBRK-OAQYLSRUSA-N 2 2 397.567 3.611 20 0 GHADLP COc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000641979463 911641696 /nfs/dbraw/zinc/64/16/96/911641696.db2.gz KVFPMHZXNGHRPM-UXHICEINSA-N 2 2 395.547 3.593 20 0 GHADLP COc1ccc([C@@H](C)[N@@H+](C)CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000641979463 911641704 /nfs/dbraw/zinc/64/17/04/911641704.db2.gz KVFPMHZXNGHRPM-UXHICEINSA-N 2 2 395.547 3.593 20 0 GHADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001182619485 911930383 /nfs/dbraw/zinc/93/03/83/911930383.db2.gz SFOPRFKDIFKPOD-IAGOWNOFSA-N 2 2 386.462 3.538 20 0 GHADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001182619485 911930394 /nfs/dbraw/zinc/93/03/94/911930394.db2.gz SFOPRFKDIFKPOD-IAGOWNOFSA-N 2 2 386.462 3.538 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001182864682 912089060 /nfs/dbraw/zinc/08/90/60/912089060.db2.gz KJZUSDJBPBIHHI-QZTJIDSGSA-N 2 2 385.552 3.694 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001182864682 912089078 /nfs/dbraw/zinc/08/90/78/912089078.db2.gz KJZUSDJBPBIHHI-QZTJIDSGSA-N 2 2 385.552 3.694 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001182872915 912094887 /nfs/dbraw/zinc/09/48/87/912094887.db2.gz HVMUCBSLENGTED-HOTGVXAUSA-N 2 2 396.373 3.876 20 0 GHADLP CCC(C)(C)C1CCC([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000642516367 912124619 /nfs/dbraw/zinc/12/46/19/912124619.db2.gz ARRBCVQAPAATJU-UHFFFAOYSA-N 2 2 386.584 3.705 20 0 GHADLP Cc1ccc(-c2nn(C)cc2C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)o1 ZINC000647207750 915082720 /nfs/dbraw/zinc/08/27/20/915082720.db2.gz JXIDCMSJTUAMTB-UHFFFAOYSA-N 2 2 396.457 3.883 20 0 GHADLP Cn1cc([C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c2cccc(F)c2)cn1 ZINC000647344159 915163208 /nfs/dbraw/zinc/16/32/08/915163208.db2.gz KNXIIPUMDGKQMG-WTIAFYNJSA-N 2 2 378.495 3.584 20 0 GHADLP Cn1cc([C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c2cccc(F)c2)cn1 ZINC000647344159 915163218 /nfs/dbraw/zinc/16/32/18/915163218.db2.gz KNXIIPUMDGKQMG-WTIAFYNJSA-N 2 2 378.495 3.584 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)cn1 ZINC000292018087 915475692 /nfs/dbraw/zinc/47/56/92/915475692.db2.gz CAHJGMGCCNTMBQ-DYESRHJHSA-N 2 2 380.467 3.972 20 0 GHADLP C[NH+](C)C1(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[NH+](C)CC1 ZINC001188227136 915844855 /nfs/dbraw/zinc/84/48/55/915844855.db2.gz LNUBYEMPKZXIMB-UHFFFAOYSA-N 2 2 392.853 3.506 20 0 GHADLP C[NH+]1CCC(c2ccc(C(=O)Nc3ccnc(-c4cc(N)cc[nH+]4)c3)cc2)CC1 ZINC001188306636 915906192 /nfs/dbraw/zinc/90/61/92/915906192.db2.gz OIMOTZZRIXMTJA-UHFFFAOYSA-N 2 2 387.487 3.787 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000648899983 915929708 /nfs/dbraw/zinc/92/97/08/915929708.db2.gz DZKDYYRVJQCGCN-HKUYNNGSSA-N 2 2 380.492 3.637 20 0 GHADLP Cc1[nH+]ccn1Cc1ccc(-c2ccc(OCCN3CC[NH+](C)CC3)cc2)cc1 ZINC000649436195 916157311 /nfs/dbraw/zinc/15/73/11/916157311.db2.gz VMUYDHCBCKDQCG-UHFFFAOYSA-N 2 2 390.531 3.533 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)n2)cc1 ZINC000293630191 916299199 /nfs/dbraw/zinc/29/91/99/916299199.db2.gz KEINKQFZMDZRPP-KRWDZBQOSA-N 2 2 376.508 3.730 20 0 GHADLP CSc1ccc([C@H](CNC2CC[NH+](Cc3ccccn3)CC2)[NH+](C)C)cc1 ZINC000294537697 916853210 /nfs/dbraw/zinc/85/32/10/916853210.db2.gz AJZUHWFJMYHYCI-QFIPXVFZSA-N 2 2 384.593 3.660 20 0 GHADLP Nc1cc[nH+]c(-c2cc(NC(=O)c3ccc(C[NH+]4CCCCC4)o3)ccn2)c1 ZINC001189737527 916894481 /nfs/dbraw/zinc/89/44/81/916894481.db2.gz LXAJGPWSFAVCMR-UHFFFAOYSA-N 2 2 377.448 3.557 20 0 GHADLP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000775384693 917320991 /nfs/dbraw/zinc/32/09/91/917320991.db2.gz FNRIEPSFZTUGOV-SCFUHWHPSA-N 2 2 397.382 3.685 20 0 GHADLP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000775384693 917321006 /nfs/dbraw/zinc/32/10/06/917321006.db2.gz FNRIEPSFZTUGOV-SCFUHWHPSA-N 2 2 397.382 3.685 20 0 GHADLP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC001191079404 917743820 /nfs/dbraw/zinc/74/38/20/917743820.db2.gz YCVYXZHBZWBOEO-AOIWGVFYSA-N 2 2 390.597 3.967 20 0 GHADLP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC001191079404 917743830 /nfs/dbraw/zinc/74/38/30/917743830.db2.gz YCVYXZHBZWBOEO-AOIWGVFYSA-N 2 2 390.597 3.967 20 0 GHADLP Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])cs2)cc1 ZINC000652354814 917879762 /nfs/dbraw/zinc/87/97/62/917879762.db2.gz JBOOHGXATKNNCV-VQIMIIECSA-N 2 2 386.565 3.582 20 0 GHADLP Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])cs2)cc1 ZINC000652354814 917879769 /nfs/dbraw/zinc/87/97/69/917879769.db2.gz JBOOHGXATKNNCV-VQIMIIECSA-N 2 2 386.565 3.582 20 0 GHADLP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001191531526 918047871 /nfs/dbraw/zinc/04/78/71/918047871.db2.gz SYYVZCCWOKCNIT-HSZRJFAPSA-N 2 2 392.591 3.929 20 0 GHADLP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001191531526 918047886 /nfs/dbraw/zinc/04/78/86/918047886.db2.gz SYYVZCCWOKCNIT-HSZRJFAPSA-N 2 2 392.591 3.929 20 0 GHADLP O[C@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)c(F)c1 ZINC000800405559 920036880 /nfs/dbraw/zinc/03/68/80/920036880.db2.gz NNPHYKJVBMBKFU-HNAYVOBHSA-N 2 2 377.891 3.925 20 0 GHADLP O[C@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)c(F)c1 ZINC000800405559 920036894 /nfs/dbraw/zinc/03/68/94/920036894.db2.gz NNPHYKJVBMBKFU-HNAYVOBHSA-N 2 2 377.891 3.925 20 0 GHADLP CN(C)c1nc(C[NH2+]CCCNc2cccc[nH+]2)c(Cl)n1-c1ccccc1 ZINC000802648135 922297502 /nfs/dbraw/zinc/29/75/02/922297502.db2.gz KJPYKVDUTUIURV-UHFFFAOYSA-N 2 2 384.915 3.579 20 0 GHADLP CC(C)(C)OC(=O)NCCC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000902964795 922652154 /nfs/dbraw/zinc/65/21/54/922652154.db2.gz YINPRBFJBHZWJJ-RTBURBONSA-N 2 2 384.524 3.834 20 0 GHADLP C[C@H]([NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902981812 922679148 /nfs/dbraw/zinc/67/91/48/922679148.db2.gz FMBDSCFECVANCU-PXNSSMCTSA-N 2 2 375.476 3.829 20 0 GHADLP CC[NH+](CC)CCOc1cccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000903455827 923036140 /nfs/dbraw/zinc/03/61/40/923036140.db2.gz BSBJOPQSOOJWSK-QGZVFWFLSA-N 2 2 385.512 3.542 20 0 GHADLP COc1cc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c(-c2ccccc2)cc1OC ZINC000903973108 923443780 /nfs/dbraw/zinc/44/37/80/923443780.db2.gz OLRSDMFWMHOSOR-FQEVSTJZSA-N 2 2 396.531 3.619 20 0 GHADLP Cc1c(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc2ccccn12 ZINC001137272460 924142805 /nfs/dbraw/zinc/14/28/05/924142805.db2.gz VXPKFCAROCBZOD-IEIRFRATSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1c(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc2ccccn12 ZINC001137272460 924142814 /nfs/dbraw/zinc/14/28/14/924142814.db2.gz VXPKFCAROCBZOD-IEIRFRATSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)nc2ccccn12 ZINC001137272460 924142816 /nfs/dbraw/zinc/14/28/16/924142816.db2.gz VXPKFCAROCBZOD-IEIRFRATSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)nc2ccccn12 ZINC001137272460 924142819 /nfs/dbraw/zinc/14/28/19/924142819.db2.gz VXPKFCAROCBZOD-IEIRFRATSA-N 2 2 389.547 3.770 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)c1cccc(F)c1 ZINC000409528746 924732361 /nfs/dbraw/zinc/73/23/61/924732361.db2.gz IFPPUGJZEOIUOU-RBUKOAKNSA-N 2 2 377.891 3.501 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000409532754 924735507 /nfs/dbraw/zinc/73/55/07/924735507.db2.gz FKSHWYZNDUHHJK-MJGOQNOKSA-N 2 2 391.968 3.958 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000678794269 924925424 /nfs/dbraw/zinc/92/54/24/924925424.db2.gz FTEJZTBFANXNMY-CYFREDJKSA-N 2 2 375.516 3.892 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000678794269 924925426 /nfs/dbraw/zinc/92/54/26/924925426.db2.gz FTEJZTBFANXNMY-CYFREDJKSA-N 2 2 375.516 3.892 20 0 GHADLP O[C@@H]([C@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000678992133 924992956 /nfs/dbraw/zinc/99/29/56/924992956.db2.gz CANDQKRJRUFGQC-SFTDATJTSA-N 2 2 392.465 3.775 20 0 GHADLP C[C@@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC12CCCCC2 ZINC000372079487 925129918 /nfs/dbraw/zinc/12/99/18/925129918.db2.gz ZQMKUSZEBJYZRQ-LJQANCHMSA-N 2 2 390.616 3.547 20 0 GHADLP CC(C)CC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000681216847 925764667 /nfs/dbraw/zinc/76/46/67/925764667.db2.gz ADEKTATUCLKTHK-UXHICEINSA-N 2 2 380.621 3.647 20 0 GHADLP CC(C)CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000681216847 925764675 /nfs/dbraw/zinc/76/46/75/925764675.db2.gz ADEKTATUCLKTHK-UXHICEINSA-N 2 2 380.621 3.647 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC(C)(C)Cc3ccc(Cl)cc3)C2)CC1 ZINC000682160310 926030007 /nfs/dbraw/zinc/03/00/07/926030007.db2.gz VUDZWHDTSFIFHM-IBGZPJMESA-N 2 2 391.987 3.584 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC(C)(C)Cc3ccc(Cl)cc3)C2)CC1 ZINC000682160310 926030019 /nfs/dbraw/zinc/03/00/19/926030019.db2.gz VUDZWHDTSFIFHM-IBGZPJMESA-N 2 2 391.987 3.584 20 0 GHADLP CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c2ccccc2C1 ZINC000373463771 926158726 /nfs/dbraw/zinc/15/87/26/926158726.db2.gz ALQQFQKWXNNGBR-RPBOFIJWSA-N 2 2 391.559 3.980 20 0 GHADLP CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c2ccccc2C1 ZINC000373463771 926158731 /nfs/dbraw/zinc/15/87/31/926158731.db2.gz ALQQFQKWXNNGBR-RPBOFIJWSA-N 2 2 391.559 3.980 20 0 GHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000373530610 926223696 /nfs/dbraw/zinc/22/36/96/926223696.db2.gz PWKZXHDDLIAUSH-ZCGYKAAXSA-N 2 2 393.457 3.723 20 0 GHADLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1nc3ccc(F)cc3o1)CC2 ZINC000374854825 927605641 /nfs/dbraw/zinc/60/56/41/927605641.db2.gz YTCANBHUENHTMX-KRWDZBQOSA-N 2 2 386.496 3.910 20 0 GHADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1nc3ccc(F)cc3o1)CC2 ZINC000374854825 927605650 /nfs/dbraw/zinc/60/56/50/927605650.db2.gz YTCANBHUENHTMX-KRWDZBQOSA-N 2 2 386.496 3.910 20 0 GHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000467129053 928733647 /nfs/dbraw/zinc/73/36/47/928733647.db2.gz AYCLRESSNKOWTO-OAQYLSRUSA-N 2 2 390.487 3.978 20 0 GHADLP COc1cc2c(cc1F)CC[C@H]2Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000467349857 928986207 /nfs/dbraw/zinc/98/62/07/928986207.db2.gz KWSAALMPXJBPQI-HXUWFJFHSA-N 2 2 384.499 3.859 20 0 GHADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000467392979 929029985 /nfs/dbraw/zinc/02/99/85/929029985.db2.gz XVIZJTDELHYXMG-UGKGYDQZSA-N 2 2 384.495 3.702 20 0 GHADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000467392979 929029994 /nfs/dbraw/zinc/02/99/94/929029994.db2.gz XVIZJTDELHYXMG-UGKGYDQZSA-N 2 2 384.495 3.702 20 0 GHADLP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1nc(C(F)(F)F)cs1 ZINC000467748756 929368922 /nfs/dbraw/zinc/36/89/22/929368922.db2.gz ZYJOWJADMGJFNR-HNNXBMFYSA-N 2 2 398.498 3.630 20 0 GHADLP COc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1C ZINC000753630494 929454395 /nfs/dbraw/zinc/45/43/95/929454395.db2.gz CAWNAVTVZMXGEU-HXUWFJFHSA-N 2 2 398.547 3.874 20 0 GHADLP FC(F)C(F)(F)COCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000469728598 930116858 /nfs/dbraw/zinc/11/68/58/930116858.db2.gz MCABBDOHDOSMAD-IBGZPJMESA-N 2 2 388.449 3.892 20 0 GHADLP FC(F)C(F)(F)COCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000469728598 930116866 /nfs/dbraw/zinc/11/68/66/930116866.db2.gz MCABBDOHDOSMAD-IBGZPJMESA-N 2 2 388.449 3.892 20 0 GHADLP FC(F)C(F)(F)COCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000469728598 930116869 /nfs/dbraw/zinc/11/68/69/930116869.db2.gz MCABBDOHDOSMAD-IBGZPJMESA-N 2 2 388.449 3.892 20 0 GHADLP FC(F)C(F)(F)COCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000469728598 930116871 /nfs/dbraw/zinc/11/68/71/930116871.db2.gz MCABBDOHDOSMAD-IBGZPJMESA-N 2 2 388.449 3.892 20 0 GHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC[NH+](C)C3CCCCC3)c2C1 ZINC000546788700 930436784 /nfs/dbraw/zinc/43/67/84/930436784.db2.gz BOYGLJASWNILKU-UHFFFAOYSA-N 2 2 394.563 3.607 20 0 GHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC[NH+](C)C3CCCCC3)c2C1 ZINC000546788700 930436788 /nfs/dbraw/zinc/43/67/88/930436788.db2.gz BOYGLJASWNILKU-UHFFFAOYSA-N 2 2 394.563 3.607 20 0 GHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NCC[N@H+](C)C3CCCCC3)c2C1 ZINC000546788700 930436792 /nfs/dbraw/zinc/43/67/92/930436792.db2.gz BOYGLJASWNILKU-UHFFFAOYSA-N 2 2 394.563 3.607 20 0 GHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NCC[N@@H+](C)C3CCCCC3)c2C1 ZINC000546788700 930436795 /nfs/dbraw/zinc/43/67/95/930436795.db2.gz BOYGLJASWNILKU-UHFFFAOYSA-N 2 2 394.563 3.607 20 0 GHADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)c3ccccc32)CCSC1 ZINC000780725027 930586229 /nfs/dbraw/zinc/58/62/29/930586229.db2.gz OJSGIBWKULTFFA-OPYAIIAOSA-N 2 2 391.581 3.724 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccc(Cl)cc1 ZINC000470968604 931065308 /nfs/dbraw/zinc/06/53/08/931065308.db2.gz RKZJBHBNSRAFKA-BQFCYCMXSA-N 2 2 377.960 3.569 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccc(Cl)cc1 ZINC000470968604 931065313 /nfs/dbraw/zinc/06/53/13/931065313.db2.gz RKZJBHBNSRAFKA-BQFCYCMXSA-N 2 2 377.960 3.569 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccc(Cl)cc1 ZINC000470968604 931065319 /nfs/dbraw/zinc/06/53/19/931065319.db2.gz RKZJBHBNSRAFKA-BQFCYCMXSA-N 2 2 377.960 3.569 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccc(Cl)cc1 ZINC000470968604 931065323 /nfs/dbraw/zinc/06/53/23/931065323.db2.gz RKZJBHBNSRAFKA-BQFCYCMXSA-N 2 2 377.960 3.569 20 0 GHADLP CC1(C)C(=O)N(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)[C@@H]1c1ccccc1 ZINC000782942221 931370299 /nfs/dbraw/zinc/37/02/99/931370299.db2.gz FGJYFFXKDIBNQS-OAQYLSRUSA-N 2 2 380.536 3.943 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000557482943 931463058 /nfs/dbraw/zinc/46/30/58/931463058.db2.gz CXRYLNDOJLAAPS-GOSISDBHSA-N 2 2 378.520 3.847 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000557482943 931463065 /nfs/dbraw/zinc/46/30/65/931463065.db2.gz CXRYLNDOJLAAPS-GOSISDBHSA-N 2 2 378.520 3.847 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cn2c(n1)CCCC2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000924963490 931596631 /nfs/dbraw/zinc/59/66/31/931596631.db2.gz JWAPHQAUMGWAQH-SJORKVTESA-N 2 2 385.531 3.522 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c1C ZINC000925044923 931622795 /nfs/dbraw/zinc/62/27/95/931622795.db2.gz NGNXRSGBSVMVGA-UHFFFAOYSA-N 2 2 388.556 3.646 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](CCC[NH3+])c3ccccc3)CC2)cc1 ZINC000925687462 931878188 /nfs/dbraw/zinc/87/81/88/931878188.db2.gz BNBHSDQKZQQMHT-XMMPIXPASA-N 3 2 394.563 3.679 20 0 GHADLP COc1ccc([C@@H](Cc2ccccc2)[N@@H+]2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000925752561 931894221 /nfs/dbraw/zinc/89/42/21/931894221.db2.gz WJPRDLKDGGHREB-HXUWFJFHSA-N 2 2 379.529 3.953 20 0 GHADLP COc1ccc([C@@H](Cc2ccccc2)[N@H+]2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000925752561 931894229 /nfs/dbraw/zinc/89/42/29/931894229.db2.gz WJPRDLKDGGHREB-HXUWFJFHSA-N 2 2 379.529 3.953 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000796783704 932066628 /nfs/dbraw/zinc/06/66/28/932066628.db2.gz CTPZYHVXARNOLM-OAHLLOKOSA-N 2 2 380.492 3.919 20 0 GHADLP COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc2ccccc21 ZINC000926411184 932167433 /nfs/dbraw/zinc/16/74/33/932167433.db2.gz QNTGDABMSMLUOW-BRIRTLKKSA-N 2 2 395.547 3.583 20 0 GHADLP COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc2ccccc21 ZINC000926411184 932167437 /nfs/dbraw/zinc/16/74/37/932167437.db2.gz QNTGDABMSMLUOW-BRIRTLKKSA-N 2 2 395.547 3.583 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4nc5c(s4)COCC5)[C@H]3C2)cc1 ZINC000927122994 932422101 /nfs/dbraw/zinc/42/21/01/932422101.db2.gz YZXMKSUGPNZHAR-GBESFXJTSA-N 2 2 383.561 3.606 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4nc5c(s4)COCC5)[C@H]3C2)cc1 ZINC000927122994 932422103 /nfs/dbraw/zinc/42/21/03/932422103.db2.gz YZXMKSUGPNZHAR-GBESFXJTSA-N 2 2 383.561 3.606 20 0 GHADLP CN(C(=O)N[C@@H]1CC2CCC1CC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000559158313 932471864 /nfs/dbraw/zinc/47/18/64/932471864.db2.gz ZFIBADPXANQYIH-MMHUWFFVSA-N 2 2 390.616 3.544 20 0 GHADLP CN(C(=O)N[C@@H]1CC2CCC1CC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000559158313 932471867 /nfs/dbraw/zinc/47/18/67/932471867.db2.gz ZFIBADPXANQYIH-MMHUWFFVSA-N 2 2 390.616 3.544 20 0 GHADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000559843336 932902327 /nfs/dbraw/zinc/90/23/27/932902327.db2.gz KHPICMGEXRFOET-XJABCFGWSA-N 2 2 386.561 3.966 20 0 GHADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000559843336 932902330 /nfs/dbraw/zinc/90/23/30/932902330.db2.gz KHPICMGEXRFOET-XJABCFGWSA-N 2 2 386.561 3.966 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCOc2ccccc2C(=O)OC(C)(C)C)C1 ZINC001116617252 933667676 /nfs/dbraw/zinc/66/76/76/933667676.db2.gz KRPSIUDCYVIMQZ-GOSISDBHSA-N 2 2 399.535 3.709 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCOc2ccccc2C(=O)OC(C)(C)C)C1 ZINC001116617252 933667679 /nfs/dbraw/zinc/66/76/79/933667679.db2.gz KRPSIUDCYVIMQZ-GOSISDBHSA-N 2 2 399.535 3.709 20 0 GHADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1OC ZINC000561541309 934255536 /nfs/dbraw/zinc/25/55/36/934255536.db2.gz FOOFTZWCUUNWMY-YLJYHZDGSA-N 2 2 384.520 3.855 20 0 GHADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1OC ZINC000561541309 934255542 /nfs/dbraw/zinc/25/55/42/934255542.db2.gz FOOFTZWCUUNWMY-YLJYHZDGSA-N 2 2 384.520 3.855 20 0 GHADLP C[C@@H](c1cccc(NC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)c1)[NH+]1CCOCC1 ZINC001121921021 934788650 /nfs/dbraw/zinc/78/86/50/934788650.db2.gz NJULNSBQFKTTLB-RXVVDRJESA-N 2 2 385.552 3.578 20 0 GHADLP Cn1c[nH+]cc1C1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC001123401553 935181774 /nfs/dbraw/zinc/18/17/74/935181774.db2.gz DOZONKFOGAUZJN-UHFFFAOYSA-N 2 2 395.551 3.860 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000829661753 935841396 /nfs/dbraw/zinc/84/13/96/935841396.db2.gz JDLRJKXEWMHDFD-FXAWDEMLSA-N 2 2 384.524 3.916 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)[NH+](C)C)cc1 ZINC001625919505 1014377284 /nfs/dbraw/zinc/37/72/84/1014377284.db2.gz OWOWVEWQZZPOER-QHAWAJNXSA-N 2 2 380.536 3.780 20 0 GHADLP Cc1cccc(C)c1[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000545502426 1015953410 /nfs/dbraw/zinc/95/34/10/1015953410.db2.gz DUGFAAZNBYXZDN-HXUWFJFHSA-N 2 2 386.584 3.614 20 0 GHADLP CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000468946995 1016258297 /nfs/dbraw/zinc/25/82/97/1016258297.db2.gz NBCMBMDLRFFSML-PMACEKPBSA-N 2 2 398.551 3.574 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000469007309 1016329916 /nfs/dbraw/zinc/32/99/16/1016329916.db2.gz QZMMDMGBNULFKQ-WOJBJXKFSA-N 2 2 377.960 3.714 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000469007309 1016329927 /nfs/dbraw/zinc/32/99/27/1016329927.db2.gz QZMMDMGBNULFKQ-WOJBJXKFSA-N 2 2 377.960 3.714 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000469007177 1016330149 /nfs/dbraw/zinc/33/01/49/1016330149.db2.gz QZMMDMGBNULFKQ-VQTJNVASSA-N 2 2 377.960 3.714 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000469007177 1016330159 /nfs/dbraw/zinc/33/01/59/1016330159.db2.gz QZMMDMGBNULFKQ-VQTJNVASSA-N 2 2 377.960 3.714 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4ccc(C(C)(C)C)cc4)CC3)CC2)CC1 ZINC000050798844 1032292223 /nfs/dbraw/zinc/29/22/23/1032292223.db2.gz SKAHQMCWBQIHLD-UHFFFAOYSA-N 2 2 397.607 3.691 20 0 GHADLP O=C(N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F)c1ccccc1-n1cc[nH+]c1 ZINC001221210004 1032332654 /nfs/dbraw/zinc/33/26/54/1032332654.db2.gz CRHYACSJEONXIW-NRFANRHFSA-N 2 2 392.478 3.872 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc(Cl)c4Cl)C[C@@H]3C2)cn1 ZINC001204182899 1032636037 /nfs/dbraw/zinc/63/60/37/1032636037.db2.gz PRSVNJARKVKWPM-WBVHZDCISA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc(Cl)c4Cl)C[C@@H]3C2)cn1 ZINC001204182899 1032636044 /nfs/dbraw/zinc/63/60/44/1032636044.db2.gz PRSVNJARKVKWPM-WBVHZDCISA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc(Cl)c4Cl)C[C@@H]3C2)cn1 ZINC001204182899 1032636054 /nfs/dbraw/zinc/63/60/54/1032636054.db2.gz PRSVNJARKVKWPM-WBVHZDCISA-N 2 2 379.335 3.681 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(F)c1)CC2 ZINC001204229203 1032675071 /nfs/dbraw/zinc/67/50/71/1032675071.db2.gz BIGBMWVHBOWRMC-LJQANCHMSA-N 2 2 376.447 3.813 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(F)c1)CC2 ZINC001204229203 1032675083 /nfs/dbraw/zinc/67/50/83/1032675083.db2.gz BIGBMWVHBOWRMC-LJQANCHMSA-N 2 2 376.447 3.813 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CCOCC1)c1ccccc1 ZINC000925512436 1017097478 /nfs/dbraw/zinc/09/74/78/1017097478.db2.gz CNFALIZYACVRPO-OFNKIYASSA-N 3 2 381.564 3.956 20 0 GHADLP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n(C)n1 ZINC000926329356 1017250880 /nfs/dbraw/zinc/25/08/80/1017250880.db2.gz DHVXIVJBBILKNO-VRQFRERNSA-N 2 2 398.517 3.835 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1Cl ZINC000564986444 1019136951 /nfs/dbraw/zinc/13/69/51/1019136951.db2.gz OVCGOECPQNTUKI-PZJWPPBQSA-N 2 2 387.911 3.699 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@](C)(C[NH3+])C2)cc1Cl ZINC000564986444 1019136958 /nfs/dbraw/zinc/13/69/58/1019136958.db2.gz OVCGOECPQNTUKI-PZJWPPBQSA-N 2 2 387.911 3.699 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000566438100 1019227536 /nfs/dbraw/zinc/22/75/36/1019227536.db2.gz XEKBIEBNNKHFLJ-IBGZPJMESA-N 2 2 388.515 3.556 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000566438100 1019227546 /nfs/dbraw/zinc/22/75/46/1019227546.db2.gz XEKBIEBNNKHFLJ-IBGZPJMESA-N 2 2 388.515 3.556 20 0 GHADLP CC(=O)n1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c2ccccc21 ZINC001204404123 1032827028 /nfs/dbraw/zinc/82/70/28/1032827028.db2.gz DZDULFKFVLYXJU-QZTJIDSGSA-N 2 2 379.529 3.927 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cccc(Cl)c1 ZINC001155997983 1032830380 /nfs/dbraw/zinc/83/03/80/1032830380.db2.gz NTJBCFCIQXGMOY-UXHICEINSA-N 2 2 377.960 3.856 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1cccc(Cl)c1 ZINC001155997983 1032830386 /nfs/dbraw/zinc/83/03/86/1032830386.db2.gz NTJBCFCIQXGMOY-UXHICEINSA-N 2 2 377.960 3.856 20 0 GHADLP C[NH+](C)[C@@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)c1cccc(Cl)c1 ZINC000570841109 1019645487 /nfs/dbraw/zinc/64/54/87/1019645487.db2.gz BHPWPYWGVRWNRR-MRXNPFEDSA-N 2 2 378.929 3.505 20 0 GHADLP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1nc(C[NH+]2CCC[C@@H](C)C2)cs1 ZINC000575950839 1019961711 /nfs/dbraw/zinc/96/17/11/1019961711.db2.gz STQKFGRFPQGJME-CVEARBPZSA-N 2 2 381.590 3.617 20 0 GHADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1nc(C[NH+]2CCC[C@@H](C)C2)cs1 ZINC000575950839 1019961719 /nfs/dbraw/zinc/96/17/19/1019961719.db2.gz STQKFGRFPQGJME-CVEARBPZSA-N 2 2 381.590 3.617 20 0 GHADLP CCCC[NH+](C)C[C@H](C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000575950839 1019961724 /nfs/dbraw/zinc/96/17/24/1019961724.db2.gz STQKFGRFPQGJME-CVEARBPZSA-N 2 2 381.590 3.617 20 0 GHADLP CCCC[NH+](C)C[C@H](C)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000575950839 1019961727 /nfs/dbraw/zinc/96/17/27/1019961727.db2.gz STQKFGRFPQGJME-CVEARBPZSA-N 2 2 381.590 3.617 20 0 GHADLP CC[C@@H](c1nnc(SC[C@H](O)C[N@H+](C)C(C)C)n1C1CCCCC1)[NH+](C)C ZINC000576240612 1019991268 /nfs/dbraw/zinc/99/12/68/1019991268.db2.gz CFKDBMJEFNEBGF-MSOLQXFVSA-N 2 2 397.633 3.589 20 0 GHADLP CC[C@@H](c1nnc(SC[C@H](O)C[N@@H+](C)C(C)C)n1C1CCCCC1)[NH+](C)C ZINC000576240612 1019991271 /nfs/dbraw/zinc/99/12/71/1019991271.db2.gz CFKDBMJEFNEBGF-MSOLQXFVSA-N 2 2 397.633 3.589 20 0 GHADLP FC(F)(F)Oc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001204433388 1032869361 /nfs/dbraw/zinc/86/93/61/1032869361.db2.gz WJEKKQXUTIIUAK-IRXDYDNUSA-N 2 2 377.410 3.544 20 0 GHADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000576575841 1020036104 /nfs/dbraw/zinc/03/61/04/1020036104.db2.gz CLCXOJAALPXJEB-PMOQBDJRSA-N 2 2 380.532 3.545 20 0 GHADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000576575841 1020036117 /nfs/dbraw/zinc/03/61/17/1020036117.db2.gz CLCXOJAALPXJEB-PMOQBDJRSA-N 2 2 380.532 3.545 20 0 GHADLP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000628217028 1020678619 /nfs/dbraw/zinc/67/86/19/1020678619.db2.gz ICBFWAUSFPIAND-UHFFFAOYSA-N 2 2 394.441 3.612 20 0 GHADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635452585 1020982912 /nfs/dbraw/zinc/98/29/12/1020982912.db2.gz HNDOSUAIJHJEJU-HXUWFJFHSA-N 2 2 386.565 3.966 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CCC(C2CC[NH2+]CC2)CC1)c1ccccc1Cl ZINC001161207678 1021185826 /nfs/dbraw/zinc/18/58/26/1021185826.db2.gz CPHGETZPOMABCM-NRFANRHFSA-N 2 2 391.987 3.961 20 0 GHADLP Cc1c(F)cc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1Br ZINC001140557555 1021964230 /nfs/dbraw/zinc/96/42/30/1021964230.db2.gz OIGHZSACNXRODB-UHFFFAOYSA-N 2 2 384.293 3.527 20 0 GHADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2CC(=O)OC)CC1 ZINC001140653269 1022166667 /nfs/dbraw/zinc/16/66/67/1022166667.db2.gz CCHPIMJHEHXUFA-UHFFFAOYSA-N 2 2 380.532 3.889 20 0 GHADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2CC(=O)OC)CC1 ZINC001140653269 1022166690 /nfs/dbraw/zinc/16/66/90/1022166690.db2.gz CCHPIMJHEHXUFA-UHFFFAOYSA-N 2 2 380.532 3.889 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(Br)c1 ZINC001140761164 1022462187 /nfs/dbraw/zinc/46/21/87/1022462187.db2.gz VAIVCTAEEHVCFX-MRXNPFEDSA-N 2 2 377.282 3.814 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(Br)c1 ZINC001140761164 1022462192 /nfs/dbraw/zinc/46/21/92/1022462192.db2.gz VAIVCTAEEHVCFX-MRXNPFEDSA-N 2 2 377.282 3.814 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(O)cc(Cl)c1)CC2 ZINC001140788905 1022532451 /nfs/dbraw/zinc/53/24/51/1022532451.db2.gz YLXJONGPSHHDGR-SFHVURJKSA-N 2 2 390.911 3.894 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(O)cc(Cl)c1)CC2 ZINC001140788905 1022532456 /nfs/dbraw/zinc/53/24/56/1022532456.db2.gz YLXJONGPSHHDGR-SFHVURJKSA-N 2 2 390.911 3.894 20 0 GHADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000836004502 1022541334 /nfs/dbraw/zinc/54/13/34/1022541334.db2.gz XDJGRDPGFHUXBP-SFHVURJKSA-N 2 2 384.549 3.509 20 0 GHADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000836004502 1022541343 /nfs/dbraw/zinc/54/13/43/1022541343.db2.gz XDJGRDPGFHUXBP-SFHVURJKSA-N 2 2 384.549 3.509 20 0 GHADLP CC(C)NC(=O)c1ccccc1OC1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140805121 1022577382 /nfs/dbraw/zinc/57/73/82/1022577382.db2.gz SLVPEDYQVWBHTH-UHFFFAOYSA-N 2 2 392.503 3.745 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc3c2cnn3[C@H]2CCCCO2)C1 ZINC001204898650 1033152950 /nfs/dbraw/zinc/15/29/50/1033152950.db2.gz YXKIQRJDOGFROO-FDDCHVKYSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc3c2cnn3[C@H]2CCCCO2)C1 ZINC001204898650 1033152959 /nfs/dbraw/zinc/15/29/59/1033152959.db2.gz YXKIQRJDOGFROO-FDDCHVKYSA-N 2 2 376.504 3.935 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(F)c1 ZINC001204913615 1033162369 /nfs/dbraw/zinc/16/23/69/1033162369.db2.gz CCOICWLXEYGKMP-UHFFFAOYSA-N 2 2 390.524 3.763 20 0 GHADLP C[N@@H+]1CCc2cc(O[C@@H]3CCC[NH+](Cc4cnc(Cl)s4)C3)ccc2C1 ZINC001228944953 1033193333 /nfs/dbraw/zinc/19/33/33/1033193333.db2.gz QFJFRCMNLMRYBD-QGZVFWFLSA-N 2 2 377.941 3.828 20 0 GHADLP C[N@H+]1CCc2cc(O[C@@H]3CCC[NH+](Cc4cnc(Cl)s4)C3)ccc2C1 ZINC001228944953 1033193347 /nfs/dbraw/zinc/19/33/47/1033193347.db2.gz QFJFRCMNLMRYBD-QGZVFWFLSA-N 2 2 377.941 3.828 20 0 GHADLP C[NH+]1CCc2cc(O[C@@H]3CCC[N@@H+](Cc4cnc(Cl)s4)C3)ccc2C1 ZINC001228944953 1033193364 /nfs/dbraw/zinc/19/33/64/1033193364.db2.gz QFJFRCMNLMRYBD-QGZVFWFLSA-N 2 2 377.941 3.828 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831509426 1024607075 /nfs/dbraw/zinc/60/70/75/1024607075.db2.gz DGJUPBKJJVSMHB-RTBURBONSA-N 2 2 375.875 3.503 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831509426 1024607089 /nfs/dbraw/zinc/60/70/89/1024607089.db2.gz DGJUPBKJJVSMHB-RTBURBONSA-N 2 2 375.875 3.503 20 0 GHADLP COc1cccc(F)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138385056 1024754305 /nfs/dbraw/zinc/75/43/05/1024754305.db2.gz ZNPBWIGVXMSDMD-KPLVRAHFSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(F)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138385056 1024754315 /nfs/dbraw/zinc/75/43/15/1024754315.db2.gz ZNPBWIGVXMSDMD-KPLVRAHFSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(F)c1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138385056 1024754325 /nfs/dbraw/zinc/75/43/25/1024754325.db2.gz ZNPBWIGVXMSDMD-KPLVRAHFSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(F)c1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138385056 1024754332 /nfs/dbraw/zinc/75/43/32/1024754332.db2.gz ZNPBWIGVXMSDMD-KPLVRAHFSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(CN(C)c2cc[nH+]c(N3C(C)(C)CC([NH3+])CC3(C)C)n2)cc1 ZINC001156774828 1033235581 /nfs/dbraw/zinc/23/55/81/1033235581.db2.gz FLGZUVZNKWXTAR-UHFFFAOYSA-N 2 2 383.540 3.606 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001138548486 1024996088 /nfs/dbraw/zinc/99/60/88/1024996088.db2.gz FJQSIPBUQREUCF-RTBURBONSA-N 2 2 388.487 3.618 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001138548486 1024996093 /nfs/dbraw/zinc/99/60/93/1024996093.db2.gz FJQSIPBUQREUCF-RTBURBONSA-N 2 2 388.487 3.618 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@](F)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC001138550145 1024998102 /nfs/dbraw/zinc/99/81/02/1024998102.db2.gz KWEIDKWKFSGZFK-OAQYLSRUSA-N 2 2 388.487 3.619 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@](F)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC001138550145 1024998109 /nfs/dbraw/zinc/99/81/09/1024998109.db2.gz KWEIDKWKFSGZFK-OAQYLSRUSA-N 2 2 388.487 3.619 20 0 GHADLP c1ccc(N2CCCCC2)c(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001138606139 1025093065 /nfs/dbraw/zinc/09/30/65/1025093065.db2.gz IGSYNBFNAITNSY-DHIUTWEWSA-N 2 2 376.548 3.636 20 0 GHADLP COc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)c2c(OC)cccc12 ZINC001138751515 1025295908 /nfs/dbraw/zinc/29/59/08/1025295908.db2.gz CKUVAXJBWJUJED-UHFFFAOYSA-N 2 2 392.503 3.586 20 0 GHADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(OC)c3cccc(OC)c23)CC1 ZINC001138752638 1025297458 /nfs/dbraw/zinc/29/74/58/1025297458.db2.gz OFNZBTQGQFAQEN-HXUWFJFHSA-N 2 2 398.547 3.932 20 0 GHADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(OC)c3cccc(OC)c23)CC1 ZINC001138752638 1025297469 /nfs/dbraw/zinc/29/74/69/1025297469.db2.gz OFNZBTQGQFAQEN-HXUWFJFHSA-N 2 2 398.547 3.932 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(Cc5ccccc5)c4)C[C@H]3C2)c1 ZINC001138764793 1025327887 /nfs/dbraw/zinc/32/78/87/1025327887.db2.gz ATZCUWNEQMNYEI-OYRHEFFESA-N 2 2 378.545 3.557 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(Cc5ccccc5)c4)C[C@H]3C2)c1 ZINC001138764793 1025327893 /nfs/dbraw/zinc/32/78/93/1025327893.db2.gz ATZCUWNEQMNYEI-OYRHEFFESA-N 2 2 378.545 3.557 20 0 GHADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(Cc5ccccc5)c4)C[C@H]3C2)c1 ZINC001138764793 1025327899 /nfs/dbraw/zinc/32/78/99/1025327899.db2.gz ATZCUWNEQMNYEI-OYRHEFFESA-N 2 2 378.545 3.557 20 0 GHADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(Cc5ccccc5)c4)C[C@H]3C2)c1 ZINC001138764793 1025327906 /nfs/dbraw/zinc/32/79/06/1025327906.db2.gz ATZCUWNEQMNYEI-OYRHEFFESA-N 2 2 378.545 3.557 20 0 GHADLP C[NH+]1CCN(C2CC[NH+](Cc3cc4cccc(Cl)c4nc3Cl)CC2)CC1 ZINC001141548479 1025481279 /nfs/dbraw/zinc/48/12/79/1025481279.db2.gz VHZCCMDQCDEFGJ-UHFFFAOYSA-N 2 2 393.362 3.753 20 0 GHADLP CCc1c[nH]c2nc[nH+]c(Nc3ccc(N4CCC([NH+](C)C)CC4)c(F)c3)c12 ZINC001162425409 1025743514 /nfs/dbraw/zinc/74/35/14/1025743514.db2.gz SPJMAEWSVLMFOY-UHFFFAOYSA-N 2 2 382.487 3.933 20 0 GHADLP CCOc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1OC(C)=O ZINC001139004091 1025750720 /nfs/dbraw/zinc/75/07/20/1025750720.db2.gz NEUAZLKJRFIXMS-SZPZYZBQSA-N 2 2 394.515 3.574 20 0 GHADLP CCOc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1OC(C)=O ZINC001139004091 1025750730 /nfs/dbraw/zinc/75/07/30/1025750730.db2.gz NEUAZLKJRFIXMS-SZPZYZBQSA-N 2 2 394.515 3.574 20 0 GHADLP CCOc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1OC(C)=O ZINC001139004091 1025750746 /nfs/dbraw/zinc/75/07/46/1025750746.db2.gz NEUAZLKJRFIXMS-SZPZYZBQSA-N 2 2 394.515 3.574 20 0 GHADLP CCOc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1OC(C)=O ZINC001139004091 1025750760 /nfs/dbraw/zinc/75/07/60/1025750760.db2.gz NEUAZLKJRFIXMS-SZPZYZBQSA-N 2 2 394.515 3.574 20 0 GHADLP Clc1ccc2c(C[NH+]3CCN(c4cc[nH+]c(N5CCCC5)n4)CC3)c[nH]c2c1 ZINC001141591111 1025758770 /nfs/dbraw/zinc/75/87/70/1025758770.db2.gz PSOJIIFKMFMVCA-UHFFFAOYSA-N 2 2 396.926 3.534 20 0 GHADLP COC1(c2ccccc2)CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001139059025 1025848133 /nfs/dbraw/zinc/84/81/33/1025848133.db2.gz KSRVYHSXXNALOM-UHFFFAOYSA-N 2 2 380.532 3.657 20 0 GHADLP COc1ccc(OC)c2c1C[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C[C@H]2O ZINC000839464879 1025954460 /nfs/dbraw/zinc/95/44/60/1025954460.db2.gz KRPNUWFQWXFBMS-OAQYLSRUSA-N 2 2 396.531 3.739 20 0 GHADLP COc1ccc(OC)c2c1C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C[C@H]2O ZINC000839464879 1025954466 /nfs/dbraw/zinc/95/44/66/1025954466.db2.gz KRPNUWFQWXFBMS-OAQYLSRUSA-N 2 2 396.531 3.739 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc5cccnc5c4)CC3)C2)co1 ZINC001139169708 1025992969 /nfs/dbraw/zinc/99/29/69/1025992969.db2.gz DNNYDFSQWMFBPI-UHFFFAOYSA-N 2 2 377.488 3.695 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5cccnc5c4)CC3)C2)co1 ZINC001139169708 1025992973 /nfs/dbraw/zinc/99/29/73/1025992973.db2.gz DNNYDFSQWMFBPI-UHFFFAOYSA-N 2 2 377.488 3.695 20 0 GHADLP Fc1ccccc1COc1ccc[nH+]c1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163058236 1026030116 /nfs/dbraw/zinc/03/01/16/1026030116.db2.gz WDOPGVOYGKHKCD-KRWDZBQOSA-N 2 2 380.467 3.823 20 0 GHADLP Fc1ccc(Oc2ccccc2C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC001139303755 1026156220 /nfs/dbraw/zinc/15/62/20/1026156220.db2.gz ZWLHFCUBYRJCSE-UHFFFAOYSA-N 2 2 383.511 3.831 20 0 GHADLP COc1ccc([C@H](O)C[N@H+](CCn2cc[nH+]c2)[C@@H](C)Cc2ccccc2)cc1 ZINC000839646769 1026165920 /nfs/dbraw/zinc/16/59/20/1026165920.db2.gz LFBOBKVLPWVLLN-WMZHIEFXSA-N 2 2 379.504 3.559 20 0 GHADLP COc1ccc([C@H](O)C[N@@H+](CCn2cc[nH+]c2)[C@@H](C)Cc2ccccc2)cc1 ZINC000839646769 1026165926 /nfs/dbraw/zinc/16/59/26/1026165926.db2.gz LFBOBKVLPWVLLN-WMZHIEFXSA-N 2 2 379.504 3.559 20 0 GHADLP C[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139358304 1026231701 /nfs/dbraw/zinc/23/17/01/1026231701.db2.gz OKNNZVVBZCLCAS-MJGOQNOKSA-N 2 2 384.524 3.998 20 0 GHADLP C[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139358304 1026231714 /nfs/dbraw/zinc/23/17/14/1026231714.db2.gz OKNNZVVBZCLCAS-MJGOQNOKSA-N 2 2 384.524 3.998 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001139396209 1026265671 /nfs/dbraw/zinc/26/56/71/1026265671.db2.gz PDYFNOHROZUBEU-HZPDHXFCSA-N 2 2 395.528 3.580 20 0 GHADLP c1cc(-c2ccc(C[NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)cn2)cs1 ZINC001139498807 1026356535 /nfs/dbraw/zinc/35/65/35/1026356535.db2.gz RIULWBOJMDRWMW-OYRHEFFESA-N 2 2 376.529 3.769 20 0 GHADLP c1cc(-c2ccc(C[NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)cn2)cs1 ZINC001139498807 1026356543 /nfs/dbraw/zinc/35/65/43/1026356543.db2.gz RIULWBOJMDRWMW-OYRHEFFESA-N 2 2 376.529 3.769 20 0 GHADLP c1cc(-c2ccc(C[N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)cn2)cs1 ZINC001139498807 1026356554 /nfs/dbraw/zinc/35/65/54/1026356554.db2.gz RIULWBOJMDRWMW-OYRHEFFESA-N 2 2 376.529 3.769 20 0 GHADLP c1cc(-c2ccc(C[N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)cn2)cs1 ZINC001139498807 1026356561 /nfs/dbraw/zinc/35/65/61/1026356561.db2.gz RIULWBOJMDRWMW-OYRHEFFESA-N 2 2 376.529 3.769 20 0 GHADLP O=C1CC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1F ZINC001139513855 1026369380 /nfs/dbraw/zinc/36/93/80/1026369380.db2.gz FYOKWZQDACOGSN-QFIPXVFZSA-N 2 2 395.522 3.512 20 0 GHADLP O=C1CC[N@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1F ZINC001139513855 1026369391 /nfs/dbraw/zinc/36/93/91/1026369391.db2.gz FYOKWZQDACOGSN-QFIPXVFZSA-N 2 2 395.522 3.512 20 0 GHADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c(Br)cccc3Br)C[C@@H]2C1 ZINC001139598160 1026461906 /nfs/dbraw/zinc/46/19/06/1026461906.db2.gz BJQLAULHSKIQFW-NEPJUHHUSA-N 2 2 388.147 3.595 20 0 GHADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(Br)cccc3Br)C[C@@H]2C1 ZINC001139598160 1026461907 /nfs/dbraw/zinc/46/19/07/1026461907.db2.gz BJQLAULHSKIQFW-NEPJUHHUSA-N 2 2 388.147 3.595 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3c(Br)cccc3Br)C[C@@H]2C1 ZINC001139598160 1026461911 /nfs/dbraw/zinc/46/19/11/1026461911.db2.gz BJQLAULHSKIQFW-NEPJUHHUSA-N 2 2 388.147 3.595 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(Br)cccc3Br)C[C@@H]2C1 ZINC001139598160 1026461917 /nfs/dbraw/zinc/46/19/17/1026461917.db2.gz BJQLAULHSKIQFW-NEPJUHHUSA-N 2 2 388.147 3.595 20 0 GHADLP COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001139767576 1026604311 /nfs/dbraw/zinc/60/43/11/1026604311.db2.gz WSKOEAXPGXGHDY-DEOSSOPVSA-N 2 2 396.531 3.743 20 0 GHADLP COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001139767576 1026604318 /nfs/dbraw/zinc/60/43/18/1026604318.db2.gz WSKOEAXPGXGHDY-DEOSSOPVSA-N 2 2 396.531 3.743 20 0 GHADLP COc1cc2c[nH+]c(N3CC4(C3)C[NH+](Cc3ccccc3)C4)cc2cc1OC ZINC001165123458 1026618688 /nfs/dbraw/zinc/61/86/88/1026618688.db2.gz YMGRNORSWBGWJZ-UHFFFAOYSA-N 2 2 375.472 3.574 20 0 GHADLP COc1cc2[nH+]c(N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)ccc2c(OC)c1 ZINC001165268182 1026686661 /nfs/dbraw/zinc/68/66/61/1026686661.db2.gz RTPTVKODVOFZML-SFHVURJKSA-N 2 2 395.425 3.763 20 0 GHADLP COc1ccc(-c2csc3ncnc(-n4c(C)[nH+]c5c4CC[NH2+]CC5)c23)cc1 ZINC001165354718 1026710617 /nfs/dbraw/zinc/71/06/17/1026710617.db2.gz HVBVRXXHXHPTNW-UHFFFAOYSA-N 2 2 391.500 3.549 20 0 GHADLP COc1cc2ccc(N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)[nH+]c2cc1OC ZINC001165417692 1026722069 /nfs/dbraw/zinc/72/20/69/1026722069.db2.gz GECRZOBLJYDCBA-DVECYGJZSA-N 2 2 389.499 3.836 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccc3c(cnn3C)c1)CC2 ZINC001139949350 1026753843 /nfs/dbraw/zinc/75/38/43/1026753843.db2.gz IRDZDQYXFKWKIJ-UHFFFAOYSA-N 2 2 393.535 3.809 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccc3c(cnn3C)c1)CC2 ZINC001139949350 1026753849 /nfs/dbraw/zinc/75/38/49/1026753849.db2.gz IRDZDQYXFKWKIJ-UHFFFAOYSA-N 2 2 393.535 3.809 20 0 GHADLP Cc1nccn1-c1ccccc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001140021664 1026805401 /nfs/dbraw/zinc/80/54/01/1026805401.db2.gz ORTKOUNSDKWKPU-PMACEKPBSA-N 2 2 378.545 3.806 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001140026511 1026815364 /nfs/dbraw/zinc/81/53/64/1026815364.db2.gz ZGESHSSQZBWWJZ-UHFFFAOYSA-N 2 2 396.498 3.634 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001140026511 1026815377 /nfs/dbraw/zinc/81/53/77/1026815377.db2.gz ZGESHSSQZBWWJZ-UHFFFAOYSA-N 2 2 396.498 3.634 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001140026440 1026815463 /nfs/dbraw/zinc/81/54/63/1026815463.db2.gz YPUWVUXNKGBTCD-JTHBVZDNSA-N 2 2 381.520 3.731 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001140026440 1026815471 /nfs/dbraw/zinc/81/54/71/1026815471.db2.gz YPUWVUXNKGBTCD-JTHBVZDNSA-N 2 2 381.520 3.731 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCCC[C@H]1[C@H](C(N)=O)c1ccccc1 ZINC001140026921 1026815569 /nfs/dbraw/zinc/81/55/69/1026815569.db2.gz PXAOXGULUIWKHB-XZOQPEGZSA-N 2 2 388.515 3.804 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCCC[C@H]1[C@H](C(N)=O)c1ccccc1 ZINC001140026921 1026815571 /nfs/dbraw/zinc/81/55/71/1026815571.db2.gz PXAOXGULUIWKHB-XZOQPEGZSA-N 2 2 388.515 3.804 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(NC(=O)c2ccccc2F)CC1 ZINC001140027173 1026815706 /nfs/dbraw/zinc/81/57/06/1026815706.db2.gz BEYSDFOYDPCOPC-UHFFFAOYSA-N 2 2 392.478 3.714 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001140028138 1026817641 /nfs/dbraw/zinc/81/76/41/1026817641.db2.gz MHOYSQRXTULNPK-GOSISDBHSA-N 2 2 384.524 3.917 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001140028138 1026817647 /nfs/dbraw/zinc/81/76/47/1026817647.db2.gz MHOYSQRXTULNPK-GOSISDBHSA-N 2 2 384.524 3.917 20 0 GHADLP COc1ccc2oc(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)cc2c1 ZINC001209767659 1027167701 /nfs/dbraw/zinc/16/77/01/1027167701.db2.gz BSQIZFNBFHLZDL-UHFFFAOYSA-N 2 2 396.487 3.901 20 0 GHADLP COc1ccc2oc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)cc2c1 ZINC001209767659 1027167712 /nfs/dbraw/zinc/16/77/12/1027167712.db2.gz BSQIZFNBFHLZDL-UHFFFAOYSA-N 2 2 396.487 3.901 20 0 GHADLP CC[NH+](CC)Cc1ccc(Nc2cc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c(C)n2)cc1 ZINC001209821824 1027221110 /nfs/dbraw/zinc/22/11/10/1027221110.db2.gz BFYPNLGAALBHPR-CALCHBBNSA-N 2 2 383.540 3.984 20 0 GHADLP CCc1[nH]c(C[NH+]2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)c(C)[nH+]1 ZINC001203238635 1027242268 /nfs/dbraw/zinc/24/22/68/1027242268.db2.gz OYRHUINXZCQEOX-UHFFFAOYSA-N 2 2 384.568 3.841 20 0 GHADLP CCOc1ccccc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001203542540 1027421085 /nfs/dbraw/zinc/42/10/85/1027421085.db2.gz OVIIPRBTVQSSOJ-VJBWXMMDSA-N 2 2 394.563 3.657 20 0 GHADLP CCOc1ccccc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001203542540 1027421090 /nfs/dbraw/zinc/42/10/90/1027421090.db2.gz OVIIPRBTVQSSOJ-VJBWXMMDSA-N 2 2 394.563 3.657 20 0 GHADLP CCOc1ccccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001203542540 1027421095 /nfs/dbraw/zinc/42/10/95/1027421095.db2.gz OVIIPRBTVQSSOJ-VJBWXMMDSA-N 2 2 394.563 3.657 20 0 GHADLP CCOc1ccccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001203542540 1027421102 /nfs/dbraw/zinc/42/11/02/1027421102.db2.gz OVIIPRBTVQSSOJ-VJBWXMMDSA-N 2 2 394.563 3.657 20 0 GHADLP Cc1cc(F)c(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c(F)c1 ZINC001203809597 1027623074 /nfs/dbraw/zinc/62/30/74/1027623074.db2.gz KSCIJQNMGNFZRM-UHFFFAOYSA-N 2 2 379.882 3.968 20 0 GHADLP C[NH2+]Cc1ccc(Nc2cncnc2[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001211127586 1027801707 /nfs/dbraw/zinc/80/17/07/1027801707.db2.gz PCWCQJNNTQDAHC-JOCHJYFZSA-N 2 2 389.503 3.513 20 0 GHADLP C[NH2+]Cc1ccc(Nc2cncnc2[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001211127586 1027801710 /nfs/dbraw/zinc/80/17/10/1027801710.db2.gz PCWCQJNNTQDAHC-JOCHJYFZSA-N 2 2 389.503 3.513 20 0 GHADLP Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000841065534 1028085138 /nfs/dbraw/zinc/08/51/38/1028085138.db2.gz ZRRYOLFSADTTPF-BDJLRTHQSA-N 2 2 386.849 3.941 20 0 GHADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001142622428 1029166193 /nfs/dbraw/zinc/16/61/93/1029166193.db2.gz DPQCCEXXRRJZIA-RTWAWAEBSA-N 2 2 375.532 3.561 20 0 GHADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001142622428 1029166208 /nfs/dbraw/zinc/16/62/08/1029166208.db2.gz DPQCCEXXRRJZIA-RTWAWAEBSA-N 2 2 375.532 3.561 20 0 GHADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001142622428 1029166221 /nfs/dbraw/zinc/16/62/21/1029166221.db2.gz DPQCCEXXRRJZIA-RTWAWAEBSA-N 2 2 375.532 3.561 20 0 GHADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001142622428 1029166235 /nfs/dbraw/zinc/16/62/35/1029166235.db2.gz DPQCCEXXRRJZIA-RTWAWAEBSA-N 2 2 375.532 3.561 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)C1 ZINC001142775182 1029433003 /nfs/dbraw/zinc/43/30/03/1029433003.db2.gz KWKYBJCVMCRAGP-LUYSREMJSA-N 2 2 384.568 3.916 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)C1 ZINC001142775182 1029433013 /nfs/dbraw/zinc/43/30/13/1029433013.db2.gz KWKYBJCVMCRAGP-LUYSREMJSA-N 2 2 384.568 3.916 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3-n3cc[nH+]c3)C[C@H]2C1 ZINC000842674345 1029477502 /nfs/dbraw/zinc/47/75/02/1029477502.db2.gz NCVGMJIDVAAXQI-UFYCRDLUSA-N 2 2 396.535 3.998 20 0 GHADLP COC(=O)c1ccc2[nH]cc(C[NH+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@H]4C3)c2c1 ZINC001143228189 1029928448 /nfs/dbraw/zinc/92/84/48/1029928448.db2.gz IDGIUCIMTRZSPM-QZTJIDSGSA-N 2 2 395.528 3.580 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCC[C@@H](c4ccccc4)CC3)C2)CC1 ZINC001222012067 1029931537 /nfs/dbraw/zinc/93/15/37/1029931537.db2.gz UUCHIUJJYBWCDL-FSSWDIPSSA-N 2 2 398.595 3.571 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCC[C@@H](c4ccccc4)CC3)C2)CC1 ZINC001222012067 1029931542 /nfs/dbraw/zinc/93/15/42/1029931542.db2.gz UUCHIUJJYBWCDL-FSSWDIPSSA-N 2 2 398.595 3.571 20 0 GHADLP COc1cc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc(Br)c1O ZINC001222160576 1029982252 /nfs/dbraw/zinc/98/22/52/1029982252.db2.gz GCXKITZUUOSOQD-IBGZPJMESA-N 2 2 397.357 3.909 20 0 GHADLP COc1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc(Br)c1O ZINC001222160576 1029982256 /nfs/dbraw/zinc/98/22/56/1029982256.db2.gz GCXKITZUUOSOQD-IBGZPJMESA-N 2 2 397.357 3.909 20 0 GHADLP CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC001461604612 1069636313 /nfs/dbraw/zinc/63/63/13/1069636313.db2.gz HFKRBUAFTFNCOY-SJORKVTESA-N 2 2 397.357 3.963 20 0 GHADLP CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC001461604612 1069636318 /nfs/dbraw/zinc/63/63/18/1069636318.db2.gz HFKRBUAFTFNCOY-SJORKVTESA-N 2 2 397.357 3.963 20 0 GHADLP Oc1cc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)ccc1F ZINC001222591309 1030217420 /nfs/dbraw/zinc/21/74/20/1030217420.db2.gz UJVMIEWIDLZGMD-HXUWFJFHSA-N 2 2 384.495 3.835 20 0 GHADLP Oc1cc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)ccc1F ZINC001222591309 1030217434 /nfs/dbraw/zinc/21/74/34/1030217434.db2.gz UJVMIEWIDLZGMD-HXUWFJFHSA-N 2 2 384.495 3.835 20 0 GHADLP c1ccc(COc2ccc(C[N@@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)cn2)cc1 ZINC001222609284 1030233296 /nfs/dbraw/zinc/23/32/96/1030233296.db2.gz MOLFCHBQXWEFLI-QHCPKHFHSA-N 2 2 385.511 3.850 20 0 GHADLP c1ccc(COc2ccc(C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)cn2)cc1 ZINC001222609284 1030233313 /nfs/dbraw/zinc/23/33/13/1030233313.db2.gz MOLFCHBQXWEFLI-QHCPKHFHSA-N 2 2 385.511 3.850 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(Br)cn3)CC2)cc1 ZINC001461696543 1069685183 /nfs/dbraw/zinc/68/51/83/1069685183.db2.gz ABWVYEXUKDLJOJ-UHFFFAOYSA-N 2 2 392.316 3.780 20 0 GHADLP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC001151734219 1030986786 /nfs/dbraw/zinc/98/67/86/1030986786.db2.gz XFUWOYHRKWPOGR-HFSMHLIXSA-N 2 2 388.600 3.616 20 0 GHADLP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC001151734219 1030986787 /nfs/dbraw/zinc/98/67/87/1030986787.db2.gz XFUWOYHRKWPOGR-HFSMHLIXSA-N 2 2 388.600 3.616 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H](C(=O)Nc1cc([C@H]2CCC[NH2+]2)no1)c1ccccc1 ZINC001218712642 1031045540 /nfs/dbraw/zinc/04/55/40/1031045540.db2.gz OMCCCDMWFMAJEG-KNQAVFIVSA-N 2 2 390.487 3.911 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H](C(=O)Nc1cc([C@H]2CCC[NH2+]2)no1)c1ccccc1 ZINC001218712642 1031045555 /nfs/dbraw/zinc/04/55/55/1031045555.db2.gz OMCCCDMWFMAJEG-KNQAVFIVSA-N 2 2 390.487 3.911 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2)c1ccccc1Cl ZINC001219536842 1031480623 /nfs/dbraw/zinc/48/06/23/1031480623.db2.gz FJSUFEXFNAAULR-DLVCFXQMSA-N 2 2 399.922 3.809 20 0 GHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001157067076 1033398305 /nfs/dbraw/zinc/39/83/05/1033398305.db2.gz VWNUNULIAFCTHR-UHFFFAOYSA-N 2 2 385.483 3.725 20 0 GHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001157067076 1033398320 /nfs/dbraw/zinc/39/83/20/1033398320.db2.gz VWNUNULIAFCTHR-UHFFFAOYSA-N 2 2 385.483 3.725 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)ccc21 ZINC001205601453 1033488330 /nfs/dbraw/zinc/48/83/30/1033488330.db2.gz WCTYRLUJFCSQBU-FQEVSTJZSA-N 2 2 391.519 3.595 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)C1 ZINC001205611800 1033492368 /nfs/dbraw/zinc/49/23/68/1033492368.db2.gz AXQGGQKRTRYWSN-LJQANCHMSA-N 2 2 398.551 3.731 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)C1 ZINC001205611800 1033492374 /nfs/dbraw/zinc/49/23/74/1033492374.db2.gz AXQGGQKRTRYWSN-LJQANCHMSA-N 2 2 398.551 3.731 20 0 GHADLP [NH3+]C[C@H]1C[N@H+](Cc2cnccc2-c2cccc(Br)c2)CCC1(F)F ZINC001205761004 1033561947 /nfs/dbraw/zinc/56/19/47/1033561947.db2.gz FMYAHXSGMLMIDP-HNNXBMFYSA-N 2 2 396.279 3.927 20 0 GHADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnccc2-c2cccc(Br)c2)CCC1(F)F ZINC001205761004 1033561953 /nfs/dbraw/zinc/56/19/53/1033561953.db2.gz FMYAHXSGMLMIDP-HNNXBMFYSA-N 2 2 396.279 3.927 20 0 GHADLP COc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC001205763973 1033563616 /nfs/dbraw/zinc/56/36/16/1033563616.db2.gz SUWCGTWAKRHPAJ-SFHVURJKSA-N 2 2 376.447 3.690 20 0 GHADLP COc1cc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC001205763973 1033563620 /nfs/dbraw/zinc/56/36/20/1033563620.db2.gz SUWCGTWAKRHPAJ-SFHVURJKSA-N 2 2 376.447 3.690 20 0 GHADLP COc1ccc(CN(c2[nH+]ccc3c4c([nH]c32)CCC4)C2CC[NH2+]CC2)cc1F ZINC001158010897 1033867712 /nfs/dbraw/zinc/86/77/12/1033867712.db2.gz RAMKHSJUMXDJAN-UHFFFAOYSA-N 2 2 394.494 3.958 20 0 GHADLP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCN(c3cc[nH+]c(OC)c3)CC2)nc1 ZINC001158097524 1033914641 /nfs/dbraw/zinc/91/46/41/1033914641.db2.gz DHPOSPRWSLCEGL-NRFANRHFSA-N 2 2 395.551 3.749 20 0 GHADLP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCN(c3cc[nH+]c(OC)c3)CC2)nc1 ZINC001158097524 1033914643 /nfs/dbraw/zinc/91/46/43/1033914643.db2.gz DHPOSPRWSLCEGL-NRFANRHFSA-N 2 2 395.551 3.749 20 0 GHADLP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001206735110 1033963525 /nfs/dbraw/zinc/96/35/25/1033963525.db2.gz MZPMCFPUIAFWHN-UHFFFAOYSA-N 3 2 385.596 3.748 20 0 GHADLP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001206735110 1033963531 /nfs/dbraw/zinc/96/35/31/1033963531.db2.gz MZPMCFPUIAFWHN-UHFFFAOYSA-N 3 2 385.596 3.748 20 0 GHADLP CCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H](c3ccc(Br)cc3)C2)C1 ZINC001206777932 1033980360 /nfs/dbraw/zinc/98/03/60/1033980360.db2.gz XFTRYTMIDDRAQN-CEXWTWQISA-N 2 2 380.374 3.658 20 0 GHADLP CCC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H](c3ccc(Br)cc3)C2)C1 ZINC001206777932 1033980365 /nfs/dbraw/zinc/98/03/65/1033980365.db2.gz XFTRYTMIDDRAQN-CEXWTWQISA-N 2 2 380.374 3.658 20 0 GHADLP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@@H](c3ccc(Br)cc3)C2)C1 ZINC001206777932 1033980369 /nfs/dbraw/zinc/98/03/69/1033980369.db2.gz XFTRYTMIDDRAQN-CEXWTWQISA-N 2 2 380.374 3.658 20 0 GHADLP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@@H](c3ccc(Br)cc3)C2)C1 ZINC001206777932 1033980372 /nfs/dbraw/zinc/98/03/72/1033980372.db2.gz XFTRYTMIDDRAQN-CEXWTWQISA-N 2 2 380.374 3.658 20 0 GHADLP C[NH+]1CCC([N@H+](CC23CC(NC(=O)OC(C)(C)C)(C2)C3)C2CCCC2)CC1 ZINC001207272555 1034227950 /nfs/dbraw/zinc/22/79/50/1034227950.db2.gz GUMJMYYQSRDKOC-UHFFFAOYSA-N 2 2 377.573 3.773 20 0 GHADLP C[NH+]1CCC([N@@H+](CC23CC(NC(=O)OC(C)(C)C)(C2)C3)C2CCCC2)CC1 ZINC001207272555 1034227967 /nfs/dbraw/zinc/22/79/67/1034227967.db2.gz GUMJMYYQSRDKOC-UHFFFAOYSA-N 2 2 377.573 3.773 20 0 GHADLP C[NH+]1CCC(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2F)CC1 ZINC001207398419 1034341690 /nfs/dbraw/zinc/34/16/90/1034341690.db2.gz NYYSQTHKJIVXRD-HXUWFJFHSA-N 2 2 391.531 3.761 20 0 GHADLP C[NH+]1CCC(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2F)CC1 ZINC001207398419 1034341702 /nfs/dbraw/zinc/34/17/02/1034341702.db2.gz NYYSQTHKJIVXRD-HXUWFJFHSA-N 2 2 391.531 3.761 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3cccc(Cl)c3)CC2)C1 ZINC001207422356 1034356888 /nfs/dbraw/zinc/35/68/88/1034356888.db2.gz PSQUPHIGSHSAQW-SFHVURJKSA-N 2 2 378.944 3.622 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3cccc(Cl)c3)CC2)C1 ZINC001207422356 1034356895 /nfs/dbraw/zinc/35/68/95/1034356895.db2.gz PSQUPHIGSHSAQW-SFHVURJKSA-N 2 2 378.944 3.622 20 0 GHADLP CCC[NH+](CCC)CCN1CC[NH+](CCc2ccccc2Br)CC1 ZINC001207531048 1034434261 /nfs/dbraw/zinc/43/42/61/1034434261.db2.gz QSPCMADLTPPWMC-UHFFFAOYSA-N 2 2 396.417 3.731 20 0 GHADLP CN(Cc1ccccc1)c1ccc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)cn1 ZINC001159261424 1034510326 /nfs/dbraw/zinc/51/03/26/1034510326.db2.gz HMTMPAQYVQDWED-UHFFFAOYSA-N 2 2 388.519 3.784 20 0 GHADLP [NH3+]C1CCN(c2[nH+]cccc2Nc2cncc(OCc3ccccc3)c2)CC1 ZINC001159261246 1034510359 /nfs/dbraw/zinc/51/03/59/1034510359.db2.gz CJPNUCLFDMELCR-UHFFFAOYSA-N 2 2 375.476 3.727 20 0 GHADLP [NH3+]C1CCN(c2[nH+]cccc2Nc2ccc(C(=O)N3CCCC3)cc2Cl)CC1 ZINC001159261356 1034510725 /nfs/dbraw/zinc/51/07/25/1034510725.db2.gz IQLCOLMMDXLAEP-UHFFFAOYSA-N 2 2 399.926 3.642 20 0 GHADLP Cn1cc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c(C2CCOCC2)n1 ZINC001207823287 1034599838 /nfs/dbraw/zinc/59/98/38/1034599838.db2.gz IZKICPJWDXMKIN-GOSISDBHSA-N 2 2 385.556 3.645 20 0 GHADLP Cn1cc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c(C2CCOCC2)n1 ZINC001207823287 1034599847 /nfs/dbraw/zinc/59/98/47/1034599847.db2.gz IZKICPJWDXMKIN-GOSISDBHSA-N 2 2 385.556 3.645 20 0 GHADLP c1nn(C2C[NH2+]C2)cc1Nc1ccc([NH+]2CCCCC2)cc1N1CCCCC1 ZINC001159507667 1034625220 /nfs/dbraw/zinc/62/52/20/1034625220.db2.gz FTZQKVITBYYLJQ-UHFFFAOYSA-N 2 2 380.540 3.752 20 0 GHADLP CCOC(=O)CCCc1[nH+]c2cc(Nc3ccc4c(c3)C[NH2+]C4)ccc2n1C ZINC001159660944 1034708398 /nfs/dbraw/zinc/70/83/98/1034708398.db2.gz ZZSZSKZRSJVOOO-UHFFFAOYSA-N 2 2 378.476 3.806 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001208234461 1034823829 /nfs/dbraw/zinc/82/38/29/1034823829.db2.gz HZPKADPYJWMPHM-MOPGFXCFSA-N 2 2 389.540 3.880 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001208234461 1034823841 /nfs/dbraw/zinc/82/38/41/1034823841.db2.gz HZPKADPYJWMPHM-MOPGFXCFSA-N 2 2 389.540 3.880 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ncccc4Cl)CC3)C2)cc1 ZINC001231959886 1035007504 /nfs/dbraw/zinc/00/75/04/1035007504.db2.gz KMAMKJKLTYSRKV-UHFFFAOYSA-N 2 2 385.939 3.910 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)[C@@H]2C1 ZINC001208931731 1035094050 /nfs/dbraw/zinc/09/40/50/1035094050.db2.gz LTXWYDZNXBKTIM-YPAWHYETSA-N 2 2 399.579 3.840 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)[C@@H]2C1 ZINC001208931731 1035094056 /nfs/dbraw/zinc/09/40/56/1035094056.db2.gz LTXWYDZNXBKTIM-YPAWHYETSA-N 2 2 399.579 3.840 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC001208931731 1035094065 /nfs/dbraw/zinc/09/40/65/1035094065.db2.gz LTXWYDZNXBKTIM-YPAWHYETSA-N 2 2 399.579 3.840 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC001208931731 1035094073 /nfs/dbraw/zinc/09/40/73/1035094073.db2.gz LTXWYDZNXBKTIM-YPAWHYETSA-N 2 2 399.579 3.840 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC2(C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208940374 1035109593 /nfs/dbraw/zinc/10/95/93/1035109593.db2.gz CAUMJZQFQMKHDX-NRFANRHFSA-N 2 2 399.579 3.841 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC2(C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208940374 1035109597 /nfs/dbraw/zinc/10/95/97/1035109597.db2.gz CAUMJZQFQMKHDX-NRFANRHFSA-N 2 2 399.579 3.841 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)c(C)c1 ZINC001232188008 1035152887 /nfs/dbraw/zinc/15/28/87/1035152887.db2.gz YPBZXXILHOMFFV-UHFFFAOYSA-N 2 2 377.532 3.976 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)c(C)c1 ZINC001232188008 1035152895 /nfs/dbraw/zinc/15/28/95/1035152895.db2.gz YPBZXXILHOMFFV-UHFFFAOYSA-N 2 2 377.532 3.976 20 0 GHADLP COC(=O)CCCCCCCCC[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001209094507 1035169824 /nfs/dbraw/zinc/16/98/24/1035169824.db2.gz GCOJHPDRRYBDPI-UHFFFAOYSA-N 2 2 388.512 3.571 20 0 GHADLP COC(=O)CCCCCCCCC[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001209094507 1035169828 /nfs/dbraw/zinc/16/98/28/1035169828.db2.gz GCOJHPDRRYBDPI-UHFFFAOYSA-N 2 2 388.512 3.571 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232235720 1035176924 /nfs/dbraw/zinc/17/69/24/1035176924.db2.gz NWIRUUTYTAYPOX-XMMPIXPASA-N 2 2 381.564 3.859 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232235720 1035176928 /nfs/dbraw/zinc/17/69/28/1035176928.db2.gz NWIRUUTYTAYPOX-XMMPIXPASA-N 2 2 381.564 3.859 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232235720 1035176930 /nfs/dbraw/zinc/17/69/30/1035176930.db2.gz NWIRUUTYTAYPOX-XMMPIXPASA-N 2 2 381.564 3.859 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232235720 1035176932 /nfs/dbraw/zinc/17/69/32/1035176932.db2.gz NWIRUUTYTAYPOX-XMMPIXPASA-N 2 2 381.564 3.859 20 0 GHADLP CN(CCC[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001209138189 1035189624 /nfs/dbraw/zinc/18/96/24/1035189624.db2.gz WCMLYZXLYIKSII-UHFFFAOYSA-N 2 2 375.557 3.840 20 0 GHADLP CN(CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001209138189 1035189629 /nfs/dbraw/zinc/18/96/29/1035189629.db2.gz WCMLYZXLYIKSII-UHFFFAOYSA-N 2 2 375.557 3.840 20 0 GHADLP c1cc(C[NH+]2CCOCC2)cc(-c2ccc([C@H]3CN4CCSC4=[NH+]3)cc2)c1 ZINC001241817570 1035709703 /nfs/dbraw/zinc/70/97/03/1035709703.db2.gz GNSPIHVXMVNUBX-OAQYLSRUSA-N 2 2 379.529 3.645 20 0 GHADLP Fc1ccc(Cl)c(Cl)c1C[NH+]1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001278340976 1035802087 /nfs/dbraw/zinc/80/20/87/1035802087.db2.gz YIBIFFGTQGKKHV-UHFFFAOYSA-N 2 2 397.325 3.927 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3Cl)cc2)C1 ZINC001243486888 1036165773 /nfs/dbraw/zinc/16/57/73/1036165773.db2.gz LYQPXXZTGKJRKX-LJQANCHMSA-N 2 2 383.923 3.776 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3Cl)cc2)C1 ZINC001243486888 1036165791 /nfs/dbraw/zinc/16/57/91/1036165791.db2.gz LYQPXXZTGKJRKX-LJQANCHMSA-N 2 2 383.923 3.776 20 0 GHADLP Cc1cc(-c2ccc(C[NH+]3CC(O)C3)cc2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001243632979 1036226791 /nfs/dbraw/zinc/22/67/91/1036226791.db2.gz BELDYIVMZCRWDP-UHFFFAOYSA-N 2 2 399.538 3.792 20 0 GHADLP Cc1cc(-c2ccc(C[NH+]3CC(O)C3)cc2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001243632979 1036226812 /nfs/dbraw/zinc/22/68/12/1036226812.db2.gz BELDYIVMZCRWDP-UHFFFAOYSA-N 2 2 399.538 3.792 20 0 GHADLP Fc1cc(OCC[NH+]2CCOCC2)ccc1-c1ccc([C@H]2CCC[NH2+]2)c(F)c1 ZINC001244139049 1036395322 /nfs/dbraw/zinc/39/53/22/1036395322.db2.gz ZTINQYGMPNXFKO-JOCHJYFZSA-N 2 2 388.458 3.767 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246455241 1037416165 /nfs/dbraw/zinc/41/61/65/1037416165.db2.gz HVBJOHIGDVABPZ-URXFXBBRSA-N 3 2 377.576 3.994 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001246455241 1037416171 /nfs/dbraw/zinc/41/61/71/1037416171.db2.gz HVBJOHIGDVABPZ-URXFXBBRSA-N 3 2 377.576 3.994 20 0 GHADLP COC(=O)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001246528849 1037463851 /nfs/dbraw/zinc/46/38/51/1037463851.db2.gz ZIQMRARXJJLUSX-ACJLOTCBSA-N 2 2 380.410 3.713 20 0 GHADLP c1ccc([C@@H]2C[C@H]([N@@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CC[NH2+]2)cc1 ZINC001246675875 1037543386 /nfs/dbraw/zinc/54/33/86/1037543386.db2.gz YUHDAXHOYKHEOB-NDBXHCKUSA-N 3 2 375.560 3.733 20 0 GHADLP c1ccc([C@@H]2C[C@H]([N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CC[NH2+]2)cc1 ZINC001246675875 1037543395 /nfs/dbraw/zinc/54/33/95/1037543395.db2.gz YUHDAXHOYKHEOB-NDBXHCKUSA-N 3 2 375.560 3.733 20 0 GHADLP CCN(CC)C(=O)C[C@H]1CC2(CC[NH+]([C@H]3CCC[NH2+]C3)CC2)c2ccccc21 ZINC001246757813 1037598826 /nfs/dbraw/zinc/59/88/26/1037598826.db2.gz WGDLLPJRMOOFOK-PMACEKPBSA-N 2 2 383.580 3.518 20 0 GHADLP CCCC[C@H]1C[C@H]([NH+]2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246783580 1037622884 /nfs/dbraw/zinc/62/28/84/1037622884.db2.gz PHBCNAGHANVDDP-VQTJNVASSA-N 2 2 394.401 3.878 20 0 GHADLP FC(F)(F)c1ccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)nc1Cl ZINC001246788786 1037628408 /nfs/dbraw/zinc/62/84/08/1037628408.db2.gz PSURZVDEDPSLSW-BTTYYORXSA-N 2 2 388.865 3.549 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246793503 1037632366 /nfs/dbraw/zinc/63/23/66/1037632366.db2.gz ZXWLHLBAOHYIRC-QRFRQXIXSA-N 2 2 376.516 3.981 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246793503 1037632371 /nfs/dbraw/zinc/63/23/71/1037632371.db2.gz ZXWLHLBAOHYIRC-QRFRQXIXSA-N 2 2 376.516 3.981 20 0 GHADLP CCCC[C@H]1C[C@H]([NH+]2CCN(c3cc(C)nn3-c3ccccc3)CC2)CC[NH2+]1 ZINC001246881205 1037696459 /nfs/dbraw/zinc/69/64/59/1037696459.db2.gz YTIZXGOZYQNFST-RBBKRZOGSA-N 2 2 381.568 3.614 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1)C2 ZINC001246943935 1037747040 /nfs/dbraw/zinc/74/70/40/1037747040.db2.gz UPTQRMGMIAKELR-WOZUAGRISA-N 2 2 389.515 3.532 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1)C2 ZINC001246943935 1037747059 /nfs/dbraw/zinc/74/70/59/1037747059.db2.gz UPTQRMGMIAKELR-WOZUAGRISA-N 2 2 389.515 3.532 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@@H]([N@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246953373 1037758836 /nfs/dbraw/zinc/75/88/36/1037758836.db2.gz BNTLTNRYIARKDM-HNAYVOBHSA-N 2 2 380.479 3.641 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246953373 1037758848 /nfs/dbraw/zinc/75/88/48/1037758848.db2.gz BNTLTNRYIARKDM-HNAYVOBHSA-N 2 2 380.479 3.641 20 0 GHADLP O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1)c1cccc(F)c1 ZINC001246954788 1037762859 /nfs/dbraw/zinc/76/28/59/1037762859.db2.gz MSWBJEGTWBMPCJ-VSKRKVRLSA-N 2 2 381.495 3.513 20 0 GHADLP O=C(N[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1)c1cccc(F)c1 ZINC001246954788 1037762877 /nfs/dbraw/zinc/76/28/77/1037762877.db2.gz MSWBJEGTWBMPCJ-VSKRKVRLSA-N 2 2 381.495 3.513 20 0 GHADLP COCc1ccc(C[NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)cc1 ZINC001232302904 1038050012 /nfs/dbraw/zinc/05/00/12/1038050012.db2.gz UROKWCREEKEAHO-UHFFFAOYSA-N 2 2 386.293 3.843 20 0 GHADLP COc1ccc(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c(C)n1 ZINC001232335712 1038116005 /nfs/dbraw/zinc/11/60/05/1038116005.db2.gz WBAMYJICDVXMRK-UHFFFAOYSA-N 2 2 392.503 3.577 20 0 GHADLP COc1ccc(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c(C)n1 ZINC001232335712 1038116011 /nfs/dbraw/zinc/11/60/11/1038116011.db2.gz WBAMYJICDVXMRK-UHFFFAOYSA-N 2 2 392.503 3.577 20 0 GHADLP COc1ccc(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c(C)n1 ZINC001232335712 1038116019 /nfs/dbraw/zinc/11/60/19/1038116019.db2.gz WBAMYJICDVXMRK-UHFFFAOYSA-N 2 2 392.503 3.577 20 0 GHADLP COc1ccc(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c(C)n1 ZINC001232335712 1038116029 /nfs/dbraw/zinc/11/60/29/1038116029.db2.gz WBAMYJICDVXMRK-UHFFFAOYSA-N 2 2 392.503 3.577 20 0 GHADLP Cc1[nH]c(C[NH+]2CCC3(C[C@H](CC(=O)NC4CCC4)c4ccccc43)CC2)c[nH+]1 ZINC001232459332 1038245678 /nfs/dbraw/zinc/24/56/78/1038245678.db2.gz CNILSFWOSJQTBG-SFHVURJKSA-N 2 2 392.547 3.798 20 0 GHADLP CCc1csc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)n1 ZINC001232469659 1038254691 /nfs/dbraw/zinc/25/46/91/1038254691.db2.gz LJJOTZIFWVHDJT-QGZVFWFLSA-N 2 2 375.538 3.554 20 0 GHADLP CCc1csc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)n1 ZINC001232469659 1038254707 /nfs/dbraw/zinc/25/47/07/1038254707.db2.gz LJJOTZIFWVHDJT-QGZVFWFLSA-N 2 2 375.538 3.554 20 0 GHADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@H+](Cc3cc(Cl)cs3)CC2)C1=O ZINC001277677113 1038290645 /nfs/dbraw/zinc/29/06/45/1038290645.db2.gz VYRRGRNVFNZVDO-IBGZPJMESA-N 2 2 392.956 3.540 20 0 GHADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@@H+](Cc3cc(Cl)cs3)CC2)C1=O ZINC001277677113 1038290651 /nfs/dbraw/zinc/29/06/51/1038290651.db2.gz VYRRGRNVFNZVDO-IBGZPJMESA-N 2 2 392.956 3.540 20 0 GHADLP Cc1cc(OC(F)(F)F)ccc1-c1noc(-c2ccc([C@@H]([NH3+])C[NH3+])cc2)n1 ZINC001247700268 1038338390 /nfs/dbraw/zinc/33/83/90/1038338390.db2.gz LZGWXNABMZTKOK-HNNXBMFYSA-N 2 2 378.354 3.569 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2c(Cl)c3ccccc3n(C)c2=O)C1 ZINC001232646586 1038433708 /nfs/dbraw/zinc/43/37/08/1038433708.db2.gz GCJOUYWOFOOKRZ-HNNXBMFYSA-N 2 2 383.879 3.549 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2c(Cl)c3ccccc3n(C)c2=O)C1 ZINC001232646586 1038433712 /nfs/dbraw/zinc/43/37/12/1038433712.db2.gz GCJOUYWOFOOKRZ-HNNXBMFYSA-N 2 2 383.879 3.549 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3cccc(NC(=O)OC(C)(C)C)c3)CC2)nc(C)[nH+]1 ZINC001232721416 1038516809 /nfs/dbraw/zinc/51/68/09/1038516809.db2.gz FFQMSJXDDMAXPC-UHFFFAOYSA-N 2 2 397.523 3.763 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc5ncsc5c4)CC3)C2)co1 ZINC001232741539 1038529175 /nfs/dbraw/zinc/52/91/75/1038529175.db2.gz XIXSMAAKJDADRV-UHFFFAOYSA-N 2 2 383.517 3.756 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5ncsc5c4)CC3)C2)co1 ZINC001232741539 1038529178 /nfs/dbraw/zinc/52/91/78/1038529178.db2.gz XIXSMAAKJDADRV-UHFFFAOYSA-N 2 2 383.517 3.756 20 0 GHADLP COc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c(OC)cc1C ZINC001232829629 1038581672 /nfs/dbraw/zinc/58/16/72/1038581672.db2.gz FTZSEVLRFRPMDJ-SZPZYZBQSA-N 2 2 380.532 3.884 20 0 GHADLP COc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c(OC)cc1C ZINC001232829629 1038581682 /nfs/dbraw/zinc/58/16/82/1038581682.db2.gz FTZSEVLRFRPMDJ-SZPZYZBQSA-N 2 2 380.532 3.884 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)c(OC)cc1C ZINC001232829629 1038581693 /nfs/dbraw/zinc/58/16/93/1038581693.db2.gz FTZSEVLRFRPMDJ-SZPZYZBQSA-N 2 2 380.532 3.884 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)c(OC)cc1C ZINC001232829629 1038581703 /nfs/dbraw/zinc/58/17/03/1038581703.db2.gz FTZSEVLRFRPMDJ-SZPZYZBQSA-N 2 2 380.532 3.884 20 0 GHADLP Brc1cc2[nH]cc(C[NH+]3CCC(Oc4cc[nH+]cc4)CC3)c2cn1 ZINC001232856782 1038605679 /nfs/dbraw/zinc/60/56/79/1038605679.db2.gz YUIOSGOSPYVWTO-UHFFFAOYSA-N 2 2 387.281 3.764 20 0 GHADLP O[C@H](COc1cccc2ccccc21)C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001252377673 1038966612 /nfs/dbraw/zinc/96/66/12/1038966612.db2.gz CSIYAOSGHCSWRN-IBGZPJMESA-N 2 2 378.472 3.518 20 0 GHADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(OC)c(OC)c(OCc4ccccc4)c3)C[C@@H]2C1 ZINC001233254100 1039019404 /nfs/dbraw/zinc/01/94/04/1039019404.db2.gz HJIAIRZAUZLNBS-OYRHEFFESA-N 2 2 396.531 3.666 20 0 GHADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(OC)c(OC)c(OCc4ccccc4)c3)C[C@@H]2C1 ZINC001233254100 1039019426 /nfs/dbraw/zinc/01/94/26/1039019426.db2.gz HJIAIRZAUZLNBS-OYRHEFFESA-N 2 2 396.531 3.666 20 0 GHADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(OC)c(OC)c(OCc4ccccc4)c3)C[C@@H]2C1 ZINC001233254100 1039019445 /nfs/dbraw/zinc/01/94/45/1039019445.db2.gz HJIAIRZAUZLNBS-OYRHEFFESA-N 2 2 396.531 3.666 20 0 GHADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(OC)c(OC)c(OCc4ccccc4)c3)C[C@@H]2C1 ZINC001233254100 1039019463 /nfs/dbraw/zinc/01/94/63/1039019463.db2.gz HJIAIRZAUZLNBS-OYRHEFFESA-N 2 2 396.531 3.666 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cccc3c1CCO3)CC2 ZINC001233275196 1039042902 /nfs/dbraw/zinc/04/29/02/1039042902.db2.gz RTCWPOVREFGLKB-UHFFFAOYSA-N 2 2 381.520 3.857 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cccc3c1CCO3)CC2 ZINC001233275196 1039042921 /nfs/dbraw/zinc/04/29/21/1039042921.db2.gz RTCWPOVREFGLKB-UHFFFAOYSA-N 2 2 381.520 3.857 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC001253152675 1039451221 /nfs/dbraw/zinc/45/12/21/1039451221.db2.gz COVOPCNMRQSURJ-PXNSSMCTSA-N 2 2 390.597 3.543 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001253152675 1039451224 /nfs/dbraw/zinc/45/12/24/1039451224.db2.gz COVOPCNMRQSURJ-PXNSSMCTSA-N 2 2 390.597 3.543 20 0 GHADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC001253409138 1039606448 /nfs/dbraw/zinc/60/64/48/1039606448.db2.gz OZANSXZIQHXUGQ-OALUTQOASA-N 2 2 391.353 3.877 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)ccc1-n1ccnc1 ZINC001234044554 1039783217 /nfs/dbraw/zinc/78/32/17/1039783217.db2.gz XUCBPMFOGUTQPP-OALUTQOASA-N 2 2 394.544 3.506 20 0 GHADLP COc1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)ccc1-n1ccnc1 ZINC001234044553 1039783338 /nfs/dbraw/zinc/78/33/38/1039783338.db2.gz XUCBPMFOGUTQPP-KDURUIRLSA-N 2 2 394.544 3.506 20 0 GHADLP COc1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)ccc1-n1ccnc1 ZINC001234044553 1039783349 /nfs/dbraw/zinc/78/33/49/1039783349.db2.gz XUCBPMFOGUTQPP-KDURUIRLSA-N 2 2 394.544 3.506 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)ccc1-n1ccnc1 ZINC001234044553 1039783369 /nfs/dbraw/zinc/78/33/69/1039783369.db2.gz XUCBPMFOGUTQPP-KDURUIRLSA-N 2 2 394.544 3.506 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)ccc1-n1ccnc1 ZINC001234044553 1039783389 /nfs/dbraw/zinc/78/33/89/1039783389.db2.gz XUCBPMFOGUTQPP-KDURUIRLSA-N 2 2 394.544 3.506 20 0 GHADLP Brc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC001235016903 1040505159 /nfs/dbraw/zinc/50/51/59/1040505159.db2.gz DQNUHXUYXMLACQ-CRAIPNDOSA-N 2 2 376.298 3.636 20 0 GHADLP Brc1cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC001235016903 1040505178 /nfs/dbraw/zinc/50/51/78/1040505178.db2.gz DQNUHXUYXMLACQ-CRAIPNDOSA-N 2 2 376.298 3.636 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1ccc(O)c3ncccc13)CC2 ZINC001235020923 1040511912 /nfs/dbraw/zinc/51/19/12/1040511912.db2.gz VUIINPJRMVETNX-UHFFFAOYSA-N 2 2 389.499 3.586 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1ccc(O)c3ncccc13)CC2 ZINC001235020923 1040511923 /nfs/dbraw/zinc/51/19/23/1040511923.db2.gz VUIINPJRMVETNX-UHFFFAOYSA-N 2 2 389.499 3.586 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1c[nH]c3ccc(F)cc13)CC2 ZINC001235020660 1040512514 /nfs/dbraw/zinc/51/25/14/1040512514.db2.gz VAXIJZUEHMTAEU-UHFFFAOYSA-N 2 2 379.479 3.953 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1c[nH]c3ccc(F)cc13)CC2 ZINC001235020660 1040512533 /nfs/dbraw/zinc/51/25/33/1040512533.db2.gz VAXIJZUEHMTAEU-UHFFFAOYSA-N 2 2 379.479 3.953 20 0 GHADLP Cc1ccc(I)c(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235038490 1040532281 /nfs/dbraw/zinc/53/22/81/1040532281.db2.gz NCDLXHGLNXEIHU-KRWDZBQOSA-N 2 2 384.305 3.708 20 0 GHADLP Cc1ccc(I)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235038490 1040532296 /nfs/dbraw/zinc/53/22/96/1040532296.db2.gz NCDLXHGLNXEIHU-KRWDZBQOSA-N 2 2 384.305 3.708 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4cccc(N5CCCC5)c4)CC3)C2)co1 ZINC001235085986 1040573395 /nfs/dbraw/zinc/57/33/95/1040573395.db2.gz MZMKEKJPUMSKBC-UHFFFAOYSA-N 2 2 395.547 3.747 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc(N5CCCC5)c4)CC3)C2)co1 ZINC001235085986 1040573405 /nfs/dbraw/zinc/57/34/05/1040573405.db2.gz MZMKEKJPUMSKBC-UHFFFAOYSA-N 2 2 395.547 3.747 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254856550 1040602074 /nfs/dbraw/zinc/60/20/74/1040602074.db2.gz VLVNZJCXBQFMNI-SIKLNZKXSA-N 2 2 377.573 3.584 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254856550 1040602105 /nfs/dbraw/zinc/60/21/05/1040602105.db2.gz VLVNZJCXBQFMNI-SIKLNZKXSA-N 2 2 377.573 3.584 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C1)CCC([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC001254875533 1040620316 /nfs/dbraw/zinc/62/03/16/1040620316.db2.gz WICHBSWFFMVDDT-LVIWNVNYSA-N 2 2 377.573 3.630 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C1)CCC([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC001254875533 1040620325 /nfs/dbraw/zinc/62/03/25/1040620325.db2.gz WICHBSWFFMVDDT-LVIWNVNYSA-N 2 2 377.573 3.630 20 0 GHADLP Fc1cccc(COc2ccc(C[N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C(F)(F)F)C3)cc2)c1 ZINC001235224441 1040706563 /nfs/dbraw/zinc/70/65/63/1040706563.db2.gz LNUVZPPMKJFMIZ-PXNSSMCTSA-N 2 2 394.412 3.988 20 0 GHADLP Fc1cccc(COc2ccc(C[N@H+]3C[C@@H]4C[NH2+]C[C@]4(C(F)(F)F)C3)cc2)c1 ZINC001235224441 1040706571 /nfs/dbraw/zinc/70/65/71/1040706571.db2.gz LNUVZPPMKJFMIZ-PXNSSMCTSA-N 2 2 394.412 3.988 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235349210 1040824081 /nfs/dbraw/zinc/82/40/81/1040824081.db2.gz NYPRBYPURZBCSY-ICDZXHCJSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235349210 1040824100 /nfs/dbraw/zinc/82/41/00/1040824100.db2.gz NYPRBYPURZBCSY-ICDZXHCJSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235349210 1040824108 /nfs/dbraw/zinc/82/41/08/1040824108.db2.gz NYPRBYPURZBCSY-ICDZXHCJSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235349210 1040824117 /nfs/dbraw/zinc/82/41/17/1040824117.db2.gz NYPRBYPURZBCSY-ICDZXHCJSA-N 3 2 375.560 3.588 20 0 GHADLP Cc1cccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)n1 ZINC001255137222 1040839430 /nfs/dbraw/zinc/83/94/30/1040839430.db2.gz PQSKCYQTWZLSSP-JKHIJQBDSA-N 2 2 376.548 3.708 20 0 GHADLP Cc1cccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)n1 ZINC001255137222 1040839435 /nfs/dbraw/zinc/83/94/35/1040839435.db2.gz PQSKCYQTWZLSSP-JKHIJQBDSA-N 2 2 376.548 3.708 20 0 GHADLP FC1(F)CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@@H]1[NH+]1CCCC1 ZINC001255149368 1040867575 /nfs/dbraw/zinc/86/75/75/1040867575.db2.gz IAPKRUWLROYLSK-LRSLUSHPSA-N 2 2 389.534 3.987 20 0 GHADLP FC1(F)CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@@H]1[NH+]1CCCC1 ZINC001255149368 1040867582 /nfs/dbraw/zinc/86/75/82/1040867582.db2.gz IAPKRUWLROYLSK-LRSLUSHPSA-N 2 2 389.534 3.987 20 0 GHADLP Clc1cc2[nH]cc(C[N@@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)c2cn1 ZINC001235382010 1040902156 /nfs/dbraw/zinc/90/21/56/1040902156.db2.gz LXBOAJYIBKTVFZ-PGRDOPGGSA-N 2 2 380.923 3.970 20 0 GHADLP Clc1cc2[nH]cc(C[N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)c2cn1 ZINC001235382010 1040902164 /nfs/dbraw/zinc/90/21/64/1040902164.db2.gz LXBOAJYIBKTVFZ-PGRDOPGGSA-N 2 2 380.923 3.970 20 0 GHADLP Clc1cnc(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c(Cl)c1 ZINC001278858733 1040948368 /nfs/dbraw/zinc/94/83/68/1040948368.db2.gz BFGQUSSUSZTRQR-UHFFFAOYSA-N 2 2 380.323 3.600 20 0 GHADLP Clc1cnc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c(Cl)c1 ZINC001278858733 1040948372 /nfs/dbraw/zinc/94/83/72/1040948372.db2.gz BFGQUSSUSZTRQR-UHFFFAOYSA-N 2 2 380.323 3.600 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3c[nH]c4cnc(Cl)cc34)C2)C1 ZINC001235503608 1040964620 /nfs/dbraw/zinc/96/46/20/1040964620.db2.gz ZQXSOSSJNHGSDA-HXUWFJFHSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3c[nH]c4cnc(Cl)cc34)C2)C1 ZINC001235503608 1040964621 /nfs/dbraw/zinc/96/46/21/1040964621.db2.gz ZQXSOSSJNHGSDA-HXUWFJFHSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3c[nH]c4cnc(Cl)cc34)C2)C1 ZINC001235503608 1040964622 /nfs/dbraw/zinc/96/46/22/1040964622.db2.gz ZQXSOSSJNHGSDA-HXUWFJFHSA-N 2 2 376.932 3.539 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3c[nH]c4cnc(Cl)cc34)C2)C1 ZINC001235503608 1040964623 /nfs/dbraw/zinc/96/46/23/1040964623.db2.gz ZQXSOSSJNHGSDA-HXUWFJFHSA-N 2 2 376.932 3.539 20 0 GHADLP FC(F)(F)COc1cc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)ncn1 ZINC001255392564 1040980358 /nfs/dbraw/zinc/98/03/58/1040980358.db2.gz JEJZSJSWKJUDBW-QGZVFWFLSA-N 2 2 394.441 3.562 20 0 GHADLP FC(F)(F)COc1cc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)ncn1 ZINC001255392564 1040980365 /nfs/dbraw/zinc/98/03/65/1040980365.db2.gz JEJZSJSWKJUDBW-QGZVFWFLSA-N 2 2 394.441 3.562 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c(F)ccc(N)c3F)C[C@H]21 ZINC001235660603 1041109859 /nfs/dbraw/zinc/10/98/59/1041109859.db2.gz HHSNUQRFUMKNIR-QLVMHMETSA-N 2 2 386.490 3.675 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c(F)ccc(N)c3F)C[C@H]21 ZINC001235660603 1041109881 /nfs/dbraw/zinc/10/98/81/1041109881.db2.gz HHSNUQRFUMKNIR-QLVMHMETSA-N 2 2 386.490 3.675 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3c(F)ccc(N)c3F)C[C@H]21 ZINC001235660603 1041109892 /nfs/dbraw/zinc/10/98/92/1041109892.db2.gz HHSNUQRFUMKNIR-QLVMHMETSA-N 2 2 386.490 3.675 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(F)ccc(N)c3F)C[C@H]21 ZINC001235660603 1041109911 /nfs/dbraw/zinc/10/99/11/1041109911.db2.gz HHSNUQRFUMKNIR-QLVMHMETSA-N 2 2 386.490 3.675 20 0 GHADLP Clc1ccc(CO[C@H]2CCC[N@H+](Cc3nc4c(s3)C[NH2+]CC4)C2)cc1 ZINC001235708898 1041192185 /nfs/dbraw/zinc/19/21/85/1041192185.db2.gz BMHYTVUGZFFLHZ-INIZCTEOSA-N 2 2 377.941 3.623 20 0 GHADLP Clc1ccc(CO[C@H]2CCC[N@@H+](Cc3nc4c(s3)C[NH2+]CC4)C2)cc1 ZINC001235708898 1041192192 /nfs/dbraw/zinc/19/21/92/1041192192.db2.gz BMHYTVUGZFFLHZ-INIZCTEOSA-N 2 2 377.941 3.623 20 0 GHADLP COCCC[N@H+](Cc1c[nH]c2ccc(Br)cc12)[C@H]1CCC[NH2+]C1 ZINC001235809486 1041320095 /nfs/dbraw/zinc/32/00/95/1041320095.db2.gz YJGFHXDWKJHLSX-INIZCTEOSA-N 2 2 380.330 3.521 20 0 GHADLP COCCC[N@@H+](Cc1c[nH]c2ccc(Br)cc12)[C@H]1CCC[NH2+]C1 ZINC001235809486 1041320103 /nfs/dbraw/zinc/32/01/03/1041320103.db2.gz YJGFHXDWKJHLSX-INIZCTEOSA-N 2 2 380.330 3.521 20 0 GHADLP CC1([NH+]2CCN(Cc3cc(C(F)(F)F)cc(Cl)c3F)CC2)CC[NH2+]CC1 ZINC001235816763 1041332027 /nfs/dbraw/zinc/33/20/27/1041332027.db2.gz YVLBRELHYSQVGY-UHFFFAOYSA-N 2 2 393.856 3.758 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[NH+]1CCN([C@@H](C)c2ccccc2)CC1 ZINC001235863672 1041394056 /nfs/dbraw/zinc/39/40/56/1041394056.db2.gz HFFIVMYTSYHFOO-SFHVURJKSA-N 2 2 384.593 3.797 20 0 GHADLP COc1cccc(OC)c1C[NH+]1CCC([NH+]2CCC3(CC(F)C3)CC2)CC1 ZINC001255932497 1041421735 /nfs/dbraw/zinc/42/17/35/1041421735.db2.gz UNAUCMKEHWGOHV-UHFFFAOYSA-N 2 2 376.516 3.882 20 0 GHADLP COc1ccc2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c(Cl)nc2c1 ZINC001236012792 1041505788 /nfs/dbraw/zinc/50/57/88/1041505788.db2.gz QSRYZLGKRMLKLF-XXBNENTESA-N 2 2 393.918 3.870 20 0 GHADLP COc1ccc2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c(Cl)nc2c1 ZINC001236012792 1041505795 /nfs/dbraw/zinc/50/57/95/1041505795.db2.gz QSRYZLGKRMLKLF-XXBNENTESA-N 2 2 393.918 3.870 20 0 GHADLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1cccc(O)c1Cl)CC2 ZINC001278910210 1041522279 /nfs/dbraw/zinc/52/22/79/1041522279.db2.gz ATTQEFWQGTZDCC-UHFFFAOYSA-N 2 2 377.941 3.909 20 0 GHADLP C[N@H+](Cc1cc(Br)cc(Br)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236211913 1041623016 /nfs/dbraw/zinc/62/30/16/1041623016.db2.gz JSZBGFKSNVCUSZ-UONOGXRCSA-N 2 2 376.136 3.913 20 0 GHADLP C[N@@H+](Cc1cc(Br)cc(Br)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236211913 1041623026 /nfs/dbraw/zinc/62/30/26/1041623026.db2.gz JSZBGFKSNVCUSZ-UONOGXRCSA-N 2 2 376.136 3.913 20 0 GHADLP CC[NH+](CC)CCCN1CC[NH+]([C@@H](C)Cc2cccc(Br)c2)CC1 ZINC001256189290 1041632622 /nfs/dbraw/zinc/63/26/22/1041632622.db2.gz CLBHZTCXNIKODG-SFHVURJKSA-N 2 2 396.417 3.730 20 0 GHADLP Nc1c(F)cccc1C[N@H+](Cc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC001236377704 1041688324 /nfs/dbraw/zinc/68/83/24/1041688324.db2.gz FLFDMECOXKGNDX-UHFFFAOYSA-N 2 2 392.316 3.925 20 0 GHADLP Nc1c(F)cccc1C[N@@H+](Cc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC001236377704 1041688330 /nfs/dbraw/zinc/68/83/30/1041688330.db2.gz FLFDMECOXKGNDX-UHFFFAOYSA-N 2 2 392.316 3.925 20 0 GHADLP O=c1ccc2c(C[N@H+](Cc3cccc(F)c3)C3CC[NH2+]CC3)ccc(O)c2[nH]1 ZINC001236406984 1041703954 /nfs/dbraw/zinc/70/39/54/1041703954.db2.gz OSZKLGCNHXVTDZ-UHFFFAOYSA-N 2 2 381.451 3.539 20 0 GHADLP O=c1ccc2c(C[N@@H+](Cc3cccc(F)c3)C3CC[NH2+]CC3)ccc(O)c2[nH]1 ZINC001236406984 1041703958 /nfs/dbraw/zinc/70/39/58/1041703958.db2.gz OSZKLGCNHXVTDZ-UHFFFAOYSA-N 2 2 381.451 3.539 20 0 GHADLP COc1cc(C[N@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)cc(F)c1O ZINC001236454808 1041719694 /nfs/dbraw/zinc/71/96/94/1041719694.db2.gz KIBPLHJSRHACQL-UHFFFAOYSA-N 2 2 378.875 3.948 20 0 GHADLP COc1cc(C[N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)cc(F)c1O ZINC001236454808 1041719701 /nfs/dbraw/zinc/71/97/01/1041719701.db2.gz KIBPLHJSRHACQL-UHFFFAOYSA-N 2 2 378.875 3.948 20 0 GHADLP CCOCC[N@H+](Cc1cc(F)cc(OCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC001236464900 1041727612 /nfs/dbraw/zinc/72/76/12/1041727612.db2.gz JCAXPPCZCHWZLR-UHFFFAOYSA-N 2 2 386.511 3.995 20 0 GHADLP CCOCC[N@@H+](Cc1cc(F)cc(OCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC001236464900 1041727618 /nfs/dbraw/zinc/72/76/18/1041727618.db2.gz JCAXPPCZCHWZLR-UHFFFAOYSA-N 2 2 386.511 3.995 20 0 GHADLP CC1(C)OC[C@H](C[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)C2CC[NH2+]CC2)O1 ZINC001236491802 1041738372 /nfs/dbraw/zinc/73/83/72/1041738372.db2.gz RMOHGUJXJCKZQA-HNNXBMFYSA-N 2 2 390.421 3.550 20 0 GHADLP CC1(C)OC[C@H](C[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)C2CC[NH2+]CC2)O1 ZINC001236491802 1041738376 /nfs/dbraw/zinc/73/83/76/1041738376.db2.gz RMOHGUJXJCKZQA-HNNXBMFYSA-N 2 2 390.421 3.550 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256457919 1041740688 /nfs/dbraw/zinc/74/06/88/1041740688.db2.gz RSFCCGCSWQTCTM-HKUYNNGSSA-N 2 2 388.556 3.676 20 0 GHADLP COc1ccc(C[N@H+](Cc2c(F)cc(O)cc2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545311 1041758736 /nfs/dbraw/zinc/75/87/36/1041758736.db2.gz NPDATNLUHQMLHT-WKILWMFISA-N 2 2 376.447 3.951 20 0 GHADLP COc1ccc(C[N@@H+](Cc2c(F)cc(O)cc2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545311 1041758741 /nfs/dbraw/zinc/75/87/41/1041758741.db2.gz NPDATNLUHQMLHT-WKILWMFISA-N 2 2 376.447 3.951 20 0 GHADLP CCOc1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1F ZINC001236694551 1041836807 /nfs/dbraw/zinc/83/68/07/1041836807.db2.gz TWTLMBZACIVLLM-DWLFOUALSA-N 2 2 398.526 3.747 20 0 GHADLP CCOc1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1F ZINC001236694551 1041836811 /nfs/dbraw/zinc/83/68/11/1041836811.db2.gz TWTLMBZACIVLLM-DWLFOUALSA-N 2 2 398.526 3.747 20 0 GHADLP CCOc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1F ZINC001236694551 1041836815 /nfs/dbraw/zinc/83/68/15/1041836815.db2.gz TWTLMBZACIVLLM-DWLFOUALSA-N 2 2 398.526 3.747 20 0 GHADLP CCOc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1F ZINC001236694551 1041836818 /nfs/dbraw/zinc/83/68/18/1041836818.db2.gz TWTLMBZACIVLLM-DWLFOUALSA-N 2 2 398.526 3.747 20 0 GHADLP CCOC(=O)C[N@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)[C@H](C)c1ccccc1 ZINC001236892791 1041942475 /nfs/dbraw/zinc/94/24/75/1041942475.db2.gz ICMOJIFLUPQCLV-HXUWFJFHSA-N 2 2 395.547 3.565 20 0 GHADLP CCOC(=O)C[N@@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)[C@H](C)c1ccccc1 ZINC001236892791 1041942478 /nfs/dbraw/zinc/94/24/78/1041942478.db2.gz ICMOJIFLUPQCLV-HXUWFJFHSA-N 2 2 395.547 3.565 20 0 GHADLP CC(C)N1CC2(CC1=O)CC[NH+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)CC2 ZINC001236908324 1041951162 /nfs/dbraw/zinc/95/11/62/1041951162.db2.gz GAYOCMHHOVBHCK-UHFFFAOYSA-N 2 2 386.927 3.749 20 0 GHADLP CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@@H]1C ZINC001236907322 1041951172 /nfs/dbraw/zinc/95/11/72/1041951172.db2.gz BFPYZJZSWXHKSC-RDJZCZTQSA-N 2 2 375.900 3.937 20 0 GHADLP CCOC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@@H]1C ZINC001236907322 1041951176 /nfs/dbraw/zinc/95/11/76/1041951176.db2.gz BFPYZJZSWXHKSC-RDJZCZTQSA-N 2 2 375.900 3.937 20 0 GHADLP C[N@H+](C1CCOCC1)C1CCN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236913513 1041954624 /nfs/dbraw/zinc/95/46/24/1041954624.db2.gz HFYPIGILVNOKFF-UHFFFAOYSA-N 2 2 388.943 3.601 20 0 GHADLP C[N@@H+](C1CCOCC1)C1CCN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236913513 1041954628 /nfs/dbraw/zinc/95/46/28/1041954628.db2.gz HFYPIGILVNOKFF-UHFFFAOYSA-N 2 2 388.943 3.601 20 0 GHADLP COc1ccc(CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@@H](C)O)cc1 ZINC001236913263 1041954852 /nfs/dbraw/zinc/95/48/52/1041954852.db2.gz JTOONUDAWQUVKF-QGZVFWFLSA-N 2 2 399.922 3.960 20 0 GHADLP COc1ccc(CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@@H](C)O)cc1 ZINC001236913263 1041954854 /nfs/dbraw/zinc/95/48/54/1041954854.db2.gz JTOONUDAWQUVKF-QGZVFWFLSA-N 2 2 399.922 3.960 20 0 GHADLP CC(C)[N@H+](Cc1ccc(-n2cccn2)c(Br)c1)C1CC[NH+](C)CC1 ZINC001236917946 1041957079 /nfs/dbraw/zinc/95/70/79/1041957079.db2.gz PIZADONGMUMLQQ-UHFFFAOYSA-N 2 2 391.357 3.939 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(-n2cccn2)c(Br)c1)C1CC[NH+](C)CC1 ZINC001236917946 1041957083 /nfs/dbraw/zinc/95/70/83/1041957083.db2.gz PIZADONGMUMLQQ-UHFFFAOYSA-N 2 2 391.357 3.939 20 0 GHADLP CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236922265 1041959936 /nfs/dbraw/zinc/95/99/36/1041959936.db2.gz OZLVISQNMSKNLE-OAQYLSRUSA-N 2 2 386.927 3.749 20 0 GHADLP CC(C)C(=O)N1CCC[C@]12CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236922265 1041959938 /nfs/dbraw/zinc/95/99/38/1041959938.db2.gz OZLVISQNMSKNLE-OAQYLSRUSA-N 2 2 386.927 3.749 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001236921262 1041959962 /nfs/dbraw/zinc/95/99/62/1041959962.db2.gz GUDZIXPDYMTKFZ-FPOVZHCZSA-N 2 2 387.911 3.686 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001236921262 1041959964 /nfs/dbraw/zinc/95/99/64/1041959964.db2.gz GUDZIXPDYMTKFZ-FPOVZHCZSA-N 2 2 387.911 3.686 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(-c3ccc(F)cc3F)nc1)CC2 ZINC001237004119 1041986531 /nfs/dbraw/zinc/98/65/31/1041986531.db2.gz OLJKCHSCAGMFQB-UHFFFAOYSA-N 2 2 386.446 3.657 20 0 GHADLP Cc1c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)ccc(F)c1F ZINC001237157289 1042068356 /nfs/dbraw/zinc/06/83/56/1042068356.db2.gz DXIGZRUEWZYUNO-UHFFFAOYSA-N 2 2 376.447 3.733 20 0 GHADLP Cc1c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)ccc(F)c1F ZINC001237157289 1042068361 /nfs/dbraw/zinc/06/83/61/1042068361.db2.gz DXIGZRUEWZYUNO-UHFFFAOYSA-N 2 2 376.447 3.733 20 0 GHADLP CCN(C(=O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1 ZINC001462587078 1070391353 /nfs/dbraw/zinc/39/13/53/1070391353.db2.gz PKLWRRVBTGDSAS-REWPJTCUSA-N 2 2 377.532 3.997 20 0 GHADLP CCN(C(=O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1 ZINC001462587078 1070391367 /nfs/dbraw/zinc/39/13/67/1070391367.db2.gz PKLWRRVBTGDSAS-REWPJTCUSA-N 2 2 377.532 3.997 20 0 GHADLP Clc1ccc2c(c1)[C@@H]1C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC[C@@H]1N2 ZINC001237233829 1042099096 /nfs/dbraw/zinc/09/90/96/1042099096.db2.gz LROXPMYDJCQJNV-GMAHTHKFSA-N 2 2 397.950 3.956 20 0 GHADLP Clc1ccc2c(c1)[C@@H]1C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC[C@@H]1N2 ZINC001237233829 1042099102 /nfs/dbraw/zinc/09/91/02/1042099102.db2.gz LROXPMYDJCQJNV-GMAHTHKFSA-N 2 2 397.950 3.956 20 0 GHADLP c1cnc(Oc2ccc(C[NH+]3CCC4(CC3)[NH2+]CCc3ccccc34)cc2)nc1 ZINC001237275780 1042118591 /nfs/dbraw/zinc/11/85/91/1042118591.db2.gz BKFLUEFMSFFYGN-UHFFFAOYSA-N 2 2 386.499 3.906 20 0 GHADLP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)cc1Cl ZINC001237696431 1042329230 /nfs/dbraw/zinc/32/92/30/1042329230.db2.gz JZCKUIAVHGZQBP-AEFFLSMTSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)cc1Cl ZINC001237696431 1042329233 /nfs/dbraw/zinc/32/92/33/1042329233.db2.gz JZCKUIAVHGZQBP-AEFFLSMTSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)cc1Cl ZINC001237696431 1042329242 /nfs/dbraw/zinc/32/92/42/1042329242.db2.gz JZCKUIAVHGZQBP-AEFFLSMTSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)cc1Cl ZINC001237696431 1042329252 /nfs/dbraw/zinc/32/92/52/1042329252.db2.gz JZCKUIAVHGZQBP-AEFFLSMTSA-N 2 2 393.362 3.989 20 0 GHADLP COCC[N@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001237896540 1042413973 /nfs/dbraw/zinc/41/39/73/1042413973.db2.gz YIEQHBFCCAOMGH-UHFFFAOYSA-N 2 2 396.457 3.638 20 0 GHADLP COCC[N@@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001237896540 1042413976 /nfs/dbraw/zinc/41/39/76/1042413976.db2.gz YIEQHBFCCAOMGH-UHFFFAOYSA-N 2 2 396.457 3.638 20 0 GHADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(Cl)cc1C(F)(F)F ZINC001278291413 1042803213 /nfs/dbraw/zinc/80/32/13/1042803213.db2.gz RQADZBCZRGFGQX-IRXDYDNUSA-N 2 2 375.866 3.569 20 0 GHADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(Cl)cc1C(F)(F)F ZINC001278291413 1042803219 /nfs/dbraw/zinc/80/32/19/1042803219.db2.gz RQADZBCZRGFGQX-IRXDYDNUSA-N 2 2 375.866 3.569 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(C(=O)NC4CCCCC4)cc3)cc2)C1 ZINC001239918578 1042863284 /nfs/dbraw/zinc/86/32/84/1042863284.db2.gz KBBVQZBXCCNEQC-QFIPXVFZSA-N 2 2 377.532 3.949 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(=O)NC4CCCCC4)cc3)cc2)C1 ZINC001239918578 1042863287 /nfs/dbraw/zinc/86/32/87/1042863287.db2.gz KBBVQZBXCCNEQC-QFIPXVFZSA-N 2 2 377.532 3.949 20 0 GHADLP Cc1ccc(-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)c(C[NH+]2CCOCC2)c1 ZINC001240869036 1042961574 /nfs/dbraw/zinc/96/15/74/1042961574.db2.gz SDEIMWGLCLBDCZ-UHFFFAOYSA-N 2 2 392.543 3.816 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542710 1043496486 /nfs/dbraw/zinc/49/64/86/1043496486.db2.gz QHCPGLJWJABAJZ-GBAJDQEWSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256542710 1043496494 /nfs/dbraw/zinc/49/64/94/1043496494.db2.gz QHCPGLJWJABAJZ-GBAJDQEWSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256542710 1043496501 /nfs/dbraw/zinc/49/65/01/1043496501.db2.gz QHCPGLJWJABAJZ-GBAJDQEWSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256542710 1043496510 /nfs/dbraw/zinc/49/65/10/1043496510.db2.gz QHCPGLJWJABAJZ-GBAJDQEWSA-N 2 2 399.579 3.981 20 0 GHADLP COC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256543609 1043499700 /nfs/dbraw/zinc/49/97/00/1043499700.db2.gz UIQDBIYABRTEKY-IRLDBZIGSA-N 2 2 399.579 3.984 20 0 GHADLP COC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256543609 1043499713 /nfs/dbraw/zinc/49/97/13/1043499713.db2.gz UIQDBIYABRTEKY-IRLDBZIGSA-N 2 2 399.579 3.984 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256548898 1043511948 /nfs/dbraw/zinc/51/19/48/1043511948.db2.gz CHXVQQPUEBAHRT-IFMALSPDSA-N 2 2 396.579 3.704 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256548898 1043511958 /nfs/dbraw/zinc/51/19/58/1043511958.db2.gz CHXVQQPUEBAHRT-IFMALSPDSA-N 2 2 396.579 3.704 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256554110 1043523236 /nfs/dbraw/zinc/52/32/36/1043523236.db2.gz NRJWQRJAZZZRSU-RXVVDRJESA-N 2 2 384.955 3.910 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256554110 1043523242 /nfs/dbraw/zinc/52/32/42/1043523242.db2.gz NRJWQRJAZZZRSU-RXVVDRJESA-N 2 2 384.955 3.910 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)CC1 ZINC001256564766 1043537676 /nfs/dbraw/zinc/53/76/76/1043537676.db2.gz RMNWNSIBJOXACK-QFIPXVFZSA-N 2 2 385.596 3.899 20 0 GHADLP c1cc(-c2ncnc3c2CC[N@H+](C2CC[NH+](Cc4ccccc4)CC2)CC3)co1 ZINC001256607201 1043572967 /nfs/dbraw/zinc/57/29/67/1043572967.db2.gz KITBLMODHSZGKG-UHFFFAOYSA-N 2 2 388.515 3.802 20 0 GHADLP c1cc(-c2ncnc3c2CC[N@@H+](C2CC[NH+](Cc4ccccc4)CC2)CC3)co1 ZINC001256607201 1043572973 /nfs/dbraw/zinc/57/29/73/1043572973.db2.gz KITBLMODHSZGKG-UHFFFAOYSA-N 2 2 388.515 3.802 20 0 GHADLP O=C(NC1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1)c1ccc(F)cc1 ZINC001256613810 1043577364 /nfs/dbraw/zinc/57/73/64/1043577364.db2.gz WDFGWVOFGQGDQX-UHFFFAOYSA-N 2 2 395.522 3.685 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256803417 1043660495 /nfs/dbraw/zinc/66/04/95/1043660495.db2.gz IYKISAMEQKHAJH-NEWJYFPISA-N 2 2 380.532 3.786 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256803417 1043660497 /nfs/dbraw/zinc/66/04/97/1043660497.db2.gz IYKISAMEQKHAJH-NEWJYFPISA-N 2 2 380.532 3.786 20 0 GHADLP c1ccc(CC2CC[NH+](CC[NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC001256848810 1043699647 /nfs/dbraw/zinc/69/96/47/1043699647.db2.gz GSGMNOWFHAVDML-UHFFFAOYSA-N 3 2 378.564 3.595 20 0 GHADLP CC(C)(C)OC(=O)N1CC([C@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C2CC2)C1 ZINC001256911123 1043737787 /nfs/dbraw/zinc/73/77/87/1043737787.db2.gz JOPZCPJQMVQAMF-UYAOXDASSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1CC([C@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C2CC2)C1 ZINC001256911123 1043737803 /nfs/dbraw/zinc/73/78/03/1043737803.db2.gz JOPZCPJQMVQAMF-UYAOXDASSA-N 2 2 377.573 3.629 20 0 GHADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001257031852 1043811049 /nfs/dbraw/zinc/81/10/49/1043811049.db2.gz HGIPYYDWLDLHJJ-QFBILLFUSA-N 2 2 398.469 3.991 20 0 GHADLP CCOC(=O)c1ccc(C[C@@H](C)N(c2ccc(C)c[nH+]2)C2CC[NH2+]CC2)cc1 ZINC001257166423 1043912045 /nfs/dbraw/zinc/91/20/45/1043912045.db2.gz GAONYWFERCMJOR-GOSISDBHSA-N 2 2 381.520 3.756 20 0 GHADLP CC(C)[C@H]1C[C@@H]([N@H+](CC[NH3+])Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001257181563 1043921943 /nfs/dbraw/zinc/92/19/43/1043921943.db2.gz VWHVUNKLUPGUIS-VQTJNVASSA-N 2 2 375.557 3.871 20 0 GHADLP CC(C)[C@H]1C[C@@H]([N@@H+](CC[NH3+])Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001257181563 1043921945 /nfs/dbraw/zinc/92/19/45/1043921945.db2.gz VWHVUNKLUPGUIS-VQTJNVASSA-N 2 2 375.557 3.871 20 0 GHADLP CC(C)[C@@H]1C[C@@H]([N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257187922 1043926259 /nfs/dbraw/zinc/92/62/59/1043926259.db2.gz SLPSWKFMOXETRK-HBMCJLEFSA-N 2 2 387.568 3.796 20 0 GHADLP CC(C)[C@@H]1C[C@@H]([N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257187922 1043926264 /nfs/dbraw/zinc/92/62/64/1043926264.db2.gz SLPSWKFMOXETRK-HBMCJLEFSA-N 2 2 387.568 3.796 20 0 GHADLP CCc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCCc1cccc(C)[nH+]1 ZINC001292960305 1043967272 /nfs/dbraw/zinc/96/72/72/1043967272.db2.gz WCILNICKZPWLKA-UHFFFAOYSA-N 2 2 398.599 3.733 20 0 GHADLP CCc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCCc1cccc(C)[nH+]1 ZINC001292960305 1043967276 /nfs/dbraw/zinc/96/72/76/1043967276.db2.gz WCILNICKZPWLKA-UHFFFAOYSA-N 2 2 398.599 3.733 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([NH2+]CCOc1cc[nH+]cc1)C2 ZINC001257804691 1044187773 /nfs/dbraw/zinc/18/77/73/1044187773.db2.gz OVDXHMOLWZGYOB-UTKZUKDTSA-N 2 2 375.513 3.620 20 0 GHADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257822882 1044204286 /nfs/dbraw/zinc/20/42/86/1044204286.db2.gz RAKQAKLOMARHIM-DENIHFKCSA-N 2 2 379.589 3.972 20 0 GHADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257822882 1044204296 /nfs/dbraw/zinc/20/42/96/1044204296.db2.gz RAKQAKLOMARHIM-DENIHFKCSA-N 2 2 379.589 3.972 20 0 GHADLP COc1ccccc1C[NH+]1CCC([NH2+][C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257948858 1044267265 /nfs/dbraw/zinc/26/72/65/1044267265.db2.gz RXKBAYQFAMXKCQ-HXUWFJFHSA-N 2 2 386.923 3.906 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCn2cc[nH+]c2)C[C@H]1Cc1ccccc1 ZINC001257971893 1044292414 /nfs/dbraw/zinc/29/24/14/1044292414.db2.gz WRJUJDHWLHZOJJ-LEWJYISDSA-N 2 2 398.551 3.874 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC[NH+]2CCCC2)C[C@H]1Cc1ccccc1 ZINC001257972106 1044293427 /nfs/dbraw/zinc/29/34/27/1044293427.db2.gz WTEMSOMOMUJADJ-NHCUHLMSSA-N 2 2 387.568 3.683 20 0 GHADLP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001258014954 1044342364 /nfs/dbraw/zinc/34/23/64/1044342364.db2.gz OSKDBTUZABTVHB-NRFANRHFSA-N 2 2 375.582 3.687 20 0 GHADLP CC(C)C[NH+]1CCC([N@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001258014954 1044342377 /nfs/dbraw/zinc/34/23/77/1044342377.db2.gz OSKDBTUZABTVHB-NRFANRHFSA-N 2 2 375.582 3.687 20 0 GHADLP CCOC(=O)CC1CCC([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)CC1 ZINC001258032621 1044358269 /nfs/dbraw/zinc/35/82/69/1044358269.db2.gz FHQJHODEUYFDDO-VIQWUECVSA-N 2 2 390.572 3.612 20 0 GHADLP CCOC(=O)CC1CCC([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)CC1 ZINC001258032621 1044358282 /nfs/dbraw/zinc/35/82/82/1044358282.db2.gz FHQJHODEUYFDDO-VIQWUECVSA-N 2 2 390.572 3.612 20 0 GHADLP CCOC(=O)CC1CCC([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)CC1 ZINC001258032621 1044358300 /nfs/dbraw/zinc/35/83/00/1044358300.db2.gz FHQJHODEUYFDDO-VIQWUECVSA-N 2 2 390.572 3.612 20 0 GHADLP C[C@@H]1C[NH+](CCc2nnc([C@@H](c3ccccc3)[NH+]3CCCCCC3)o2)C[C@@H](C)O1 ZINC001258080518 1044385464 /nfs/dbraw/zinc/38/54/64/1044385464.db2.gz JPULWLNRMWKCJU-WOIUINJBSA-N 2 2 398.551 3.687 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@@H]4CCCC(C)(C)C4)CC[C@@H]3C2)cs1 ZINC001258292660 1044496260 /nfs/dbraw/zinc/49/62/60/1044496260.db2.gz YEMFENCNZAJYNW-MISYRCLQSA-N 2 2 377.598 3.943 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+]([C@@H]4CCCC(C)(C)C4)CC[C@@H]3C2)cs1 ZINC001258292660 1044496266 /nfs/dbraw/zinc/49/62/66/1044496266.db2.gz YEMFENCNZAJYNW-MISYRCLQSA-N 2 2 377.598 3.943 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@@H]4CCCC(C)(C)C4)CC[C@@H]3C2)cs1 ZINC001258292660 1044496271 /nfs/dbraw/zinc/49/62/71/1044496271.db2.gz YEMFENCNZAJYNW-MISYRCLQSA-N 2 2 377.598 3.943 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+]([C@@H]4CCCC(C)(C)C4)CC[C@@H]3C2)cs1 ZINC001258292660 1044496275 /nfs/dbraw/zinc/49/62/75/1044496275.db2.gz YEMFENCNZAJYNW-MISYRCLQSA-N 2 2 377.598 3.943 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2OC)cc1 ZINC001258397132 1044533523 /nfs/dbraw/zinc/53/35/23/1044533523.db2.gz GKHGXFPIQDNSRP-IGKWTDBASA-N 2 2 382.548 3.895 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2OC)cc1 ZINC001258397132 1044533537 /nfs/dbraw/zinc/53/35/37/1044533537.db2.gz GKHGXFPIQDNSRP-IGKWTDBASA-N 2 2 382.548 3.895 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC001258509756 1044587983 /nfs/dbraw/zinc/58/79/83/1044587983.db2.gz DZDKXRJYPZKFKH-DNQXCXABSA-N 2 2 379.548 3.535 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC001258509756 1044587999 /nfs/dbraw/zinc/58/79/99/1044587999.db2.gz DZDKXRJYPZKFKH-DNQXCXABSA-N 2 2 379.548 3.535 20 0 GHADLP Clc1ccccc1N1CCC([N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001258542524 1044618506 /nfs/dbraw/zinc/61/85/06/1044618506.db2.gz OEMWAJSDKDCLAG-UHFFFAOYSA-N 2 2 397.910 3.600 20 0 GHADLP Clc1ccccc1N1CCC([N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001258542524 1044618507 /nfs/dbraw/zinc/61/85/07/1044618507.db2.gz OEMWAJSDKDCLAG-UHFFFAOYSA-N 2 2 397.910 3.600 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@@H]2CCC(=O)N(Cc3ccccc3)CC2)[nH+]c1 ZINC001258595180 1044664529 /nfs/dbraw/zinc/66/45/29/1044664529.db2.gz ZIBPMODVEMBAID-OAQYLSRUSA-N 2 2 392.547 3.530 20 0 GHADLP CCC[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)CC1 ZINC001258777301 1044760766 /nfs/dbraw/zinc/76/07/66/1044760766.db2.gz QHVIKGJQBHNWTH-JKSUJKDBSA-N 2 2 393.494 3.638 20 0 GHADLP CCC[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)CC1 ZINC001258777301 1044760769 /nfs/dbraw/zinc/76/07/69/1044760769.db2.gz QHVIKGJQBHNWTH-JKSUJKDBSA-N 2 2 393.494 3.638 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)o1 ZINC000848912042 1045183688 /nfs/dbraw/zinc/18/36/88/1045183688.db2.gz MZGYFGJVHIPCJG-XGQMCVAFSA-N 2 2 377.444 3.681 20 0 GHADLP COc1ccccc1-c1nn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(=S)o1 ZINC001262482586 1046260489 /nfs/dbraw/zinc/26/04/89/1046260489.db2.gz GZGGJKFHAPIVAM-XHSDSOJGSA-N 2 2 388.537 3.501 20 0 GHADLP COc1ccccc1-c1nn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(=S)o1 ZINC001262482586 1046260501 /nfs/dbraw/zinc/26/05/01/1046260501.db2.gz GZGGJKFHAPIVAM-XHSDSOJGSA-N 2 2 388.537 3.501 20 0 GHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000378931925 1046692946 /nfs/dbraw/zinc/69/29/46/1046692946.db2.gz YVMGYUIYNMKDIW-INIZCTEOSA-N 2 2 394.313 3.621 20 0 GHADLP Fc1cc(Cl)cc(Cl)c1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001279406379 1047796101 /nfs/dbraw/zinc/79/61/01/1047796101.db2.gz ZIOUHNXAUIHGQL-UHFFFAOYSA-N 2 2 383.298 3.954 20 0 GHADLP CCn1ccnc1C[N@@H+]1CCCC2(CC[NH+](Cc3scnc3Cl)CC2)C1 ZINC001279423804 1047801306 /nfs/dbraw/zinc/80/13/06/1047801306.db2.gz QIZNZWXXEHKFQE-UHFFFAOYSA-N 2 2 393.988 3.891 20 0 GHADLP CCn1ccnc1C[N@H+]1CCCC2(CC[NH+](Cc3scnc3Cl)CC2)C1 ZINC001279423804 1047801314 /nfs/dbraw/zinc/80/13/14/1047801314.db2.gz QIZNZWXXEHKFQE-UHFFFAOYSA-N 2 2 393.988 3.891 20 0 GHADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3c(F)ccc(F)c3Cl)C2)C1 ZINC001279442860 1047809065 /nfs/dbraw/zinc/80/90/65/1047809065.db2.gz YEULNTWMOBPJEI-FQEVSTJZSA-N 2 2 385.930 3.858 20 0 GHADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3c(F)ccc(F)c3Cl)C2)C1 ZINC001279442860 1047809074 /nfs/dbraw/zinc/80/90/74/1047809074.db2.gz YEULNTWMOBPJEI-FQEVSTJZSA-N 2 2 385.930 3.858 20 0 GHADLP Cc1ccc(Br)c(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c1 ZINC001279664198 1047903901 /nfs/dbraw/zinc/90/39/01/1047903901.db2.gz WLZATCPJYTVZRJ-UXHICEINSA-N 2 2 394.401 3.844 20 0 GHADLP COc1nc(Cl)ccc1C[NH+]1CCC2(C[NH+](Cc3scnc3C)C2)CC1 ZINC001279702630 1047924058 /nfs/dbraw/zinc/92/40/58/1047924058.db2.gz OUVJYTJJYFHEPD-UHFFFAOYSA-N 2 2 392.956 3.607 20 0 GHADLP CCn1ccnc1C[NH+]1CC2(C1)CC[NH+](Cc1c(Cl)ccnc1Cl)CC2 ZINC001279718508 1047933749 /nfs/dbraw/zinc/93/37/49/1047933749.db2.gz XGMACSUOMYDTDX-UHFFFAOYSA-N 2 2 394.350 3.703 20 0 GHADLP CCC1([NH+](C)C)CC[NH+](C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC001307981171 1049737767 /nfs/dbraw/zinc/73/77/67/1049737767.db2.gz DSHQTMWUNLRPKL-KRWDZBQOSA-N 2 2 387.337 3.602 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+][C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)C1 ZINC001308172736 1049899922 /nfs/dbraw/zinc/89/99/22/1049899922.db2.gz XTHCZNYDCISOJV-USYVTKNRSA-N 2 2 393.616 3.978 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+][C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)C1 ZINC001308172736 1049899925 /nfs/dbraw/zinc/89/99/25/1049899925.db2.gz XTHCZNYDCISOJV-USYVTKNRSA-N 2 2 393.616 3.978 20 0 GHADLP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001290818135 1049931766 /nfs/dbraw/zinc/93/17/66/1049931766.db2.gz OXPCQDZADWVNIJ-SZPZYZBQSA-N 2 2 392.547 3.965 20 0 GHADLP CC1(C)[C@H]([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)[C@@H]2CCO[C@@H]21 ZINC001308279644 1049935237 /nfs/dbraw/zinc/93/52/37/1049935237.db2.gz BPMOOHRNDIAMGB-IPELMVKDSA-N 2 2 375.900 3.519 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cc(F)cc(C(F)(F)F)c3)[nH+]c2)C1 ZINC001308337986 1049952225 /nfs/dbraw/zinc/95/22/25/1049952225.db2.gz QPRCYYXVFJZGBJ-KRWDZBQOSA-N 2 2 382.405 3.992 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cc(Cl)cc(Cl)c3N)[nH+]c2)C1 ZINC001308338552 1049952980 /nfs/dbraw/zinc/95/29/80/1049952980.db2.gz YGDRPHWBUDUZMB-OAHLLOKOSA-N 2 2 380.323 3.723 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)cc1 ZINC001308461806 1049981634 /nfs/dbraw/zinc/98/16/34/1049981634.db2.gz HMZRUYRGGDKKQT-INIZCTEOSA-N 2 2 377.330 3.802 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)cc1 ZINC001308461806 1049981637 /nfs/dbraw/zinc/98/16/37/1049981637.db2.gz HMZRUYRGGDKKQT-INIZCTEOSA-N 2 2 377.330 3.802 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]C(C)(C)CNC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC001308673012 1050055151 /nfs/dbraw/zinc/05/51/51/1050055151.db2.gz PSCSLASSHZWJTD-MJGOQNOKSA-N 2 2 375.557 3.790 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]C(C)(C)CNC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC001308673012 1050055160 /nfs/dbraw/zinc/05/51/60/1050055160.db2.gz PSCSLASSHZWJTD-MJGOQNOKSA-N 2 2 375.557 3.790 20 0 GHADLP COC1CCC(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC1 ZINC001308744921 1050079148 /nfs/dbraw/zinc/07/91/48/1050079148.db2.gz QCNWLBSIMWMYEP-UHFFFAOYSA-N 2 2 396.329 3.946 20 0 GHADLP COC1CCC(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC1 ZINC001308744921 1050079152 /nfs/dbraw/zinc/07/91/52/1050079152.db2.gz QCNWLBSIMWMYEP-UHFFFAOYSA-N 2 2 396.329 3.946 20 0 GHADLP CCOC(=O)c1cc(C[NH2+]C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)on1 ZINC001308905356 1050153570 /nfs/dbraw/zinc/15/35/70/1050153570.db2.gz HTCACGBWOLGBPC-QHCPKHFHSA-N 2 2 399.535 3.879 20 0 GHADLP CCOC(=O)c1cc(C[NH2+]C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)on1 ZINC001308905356 1050153577 /nfs/dbraw/zinc/15/35/77/1050153577.db2.gz HTCACGBWOLGBPC-QHCPKHFHSA-N 2 2 399.535 3.879 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC001329596865 1050855728 /nfs/dbraw/zinc/85/57/28/1050855728.db2.gz MPROLQKYWBYAFT-LBPRGKRZSA-N 2 2 384.268 3.916 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC001329596865 1050855742 /nfs/dbraw/zinc/85/57/42/1050855742.db2.gz MPROLQKYWBYAFT-LBPRGKRZSA-N 2 2 384.268 3.916 20 0 GHADLP CN(C(=O)NCCC1CCCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001311446294 1052156271 /nfs/dbraw/zinc/15/62/71/1052156271.db2.gz CUEDBUAAGYAORV-FGZHOGPDSA-N 2 2 392.632 3.935 20 0 GHADLP CN(C(=O)NCCC1CCCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001311446294 1052156277 /nfs/dbraw/zinc/15/62/77/1052156277.db2.gz CUEDBUAAGYAORV-FGZHOGPDSA-N 2 2 392.632 3.935 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC(C)(C)c3ccc4ccccc4c3)C2)CC1 ZINC001312015510 1052530918 /nfs/dbraw/zinc/53/09/18/1052530918.db2.gz HDTDJOJBUWDQLC-OAQYLSRUSA-N 2 2 394.563 3.543 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC(C)(C)c3ccc4ccccc4c3)C2)CC1 ZINC001312015510 1052530923 /nfs/dbraw/zinc/53/09/23/1052530923.db2.gz HDTDJOJBUWDQLC-OAQYLSRUSA-N 2 2 394.563 3.543 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c[nH+]1 ZINC001312856261 1052894568 /nfs/dbraw/zinc/89/45/68/1052894568.db2.gz IANHMVKPCDUUAB-UHFFFAOYSA-N 2 2 392.547 3.995 20 0 GHADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001313008530 1052932753 /nfs/dbraw/zinc/93/27/53/1052932753.db2.gz SVZYAGCJFAETFP-RTBURBONSA-N 2 2 389.588 3.648 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1nn(-c2ccccc2C)c2c1CCC2 ZINC001318593248 1054737736 /nfs/dbraw/zinc/73/77/36/1054737736.db2.gz ISMJFQAYFCDPEP-UHFFFAOYSA-N 2 2 398.470 3.811 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 ZINC001319705683 1055413243 /nfs/dbraw/zinc/41/32/43/1055413243.db2.gz YAQVLMVBSNSRJQ-ZCNNSNEGSA-N 2 2 389.902 3.643 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 ZINC001319705683 1055413247 /nfs/dbraw/zinc/41/32/47/1055413247.db2.gz YAQVLMVBSNSRJQ-ZCNNSNEGSA-N 2 2 389.902 3.643 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ncc(Br)s1 ZINC001320211880 1055709114 /nfs/dbraw/zinc/70/91/14/1055709114.db2.gz CKBSLVCPHWKDLN-ZDUSSCGKSA-N 2 2 395.370 3.508 20 0 GHADLP Cc1c(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)cnn1-c1cc[nH+]cc1 ZINC001320480577 1055827729 /nfs/dbraw/zinc/82/77/29/1055827729.db2.gz FDUHTOFKMAXTCW-UHFFFAOYSA-N 2 2 383.415 3.538 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(NC(=O)C4CC4)cc3)CC2)cc1 ZINC001324704664 1057207863 /nfs/dbraw/zinc/20/78/63/1057207863.db2.gz PVQZEMDJOUUBSO-UHFFFAOYSA-N 2 2 392.547 3.860 20 0 GHADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001325579470 1057342746 /nfs/dbraw/zinc/34/27/46/1057342746.db2.gz JRQRIGPNDIEJBN-XQBPLPMBSA-N 2 2 392.632 3.553 20 0 GHADLP CC(C)OC(=O)C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(C)C ZINC000848927865 1057427347 /nfs/dbraw/zinc/42/73/47/1057427347.db2.gz PIWIODQGEDAZMU-NRFANRHFSA-N 2 2 375.557 3.677 20 0 GHADLP O=C(c1cccs1)C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001326213920 1057434694 /nfs/dbraw/zinc/43/46/94/1057434694.db2.gz QBRNIMPIJFWAGJ-UHFFFAOYSA-N 2 2 384.545 3.675 20 0 GHADLP Cc1ccccc1NC(=[NH2+])NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001326905054 1057571109 /nfs/dbraw/zinc/57/11/09/1057571109.db2.gz HRQLBFVCOIHESC-UHFFFAOYSA-N 2 2 379.552 3.529 20 0 GHADLP Cc1cccn2cc(CCNC(=[NH2+])Nc3cccc(OC(F)(F)F)c3)[nH+]c12 ZINC000849083283 1057586372 /nfs/dbraw/zinc/58/63/72/1057586372.db2.gz XOWHQQGUDBNPNA-UHFFFAOYSA-N 2 2 377.370 3.720 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(Nc2ccc(C)nn2)c1 ZINC001339282856 1059066428 /nfs/dbraw/zinc/06/64/28/1059066428.db2.gz GXWHQENDYJUDMT-UHFFFAOYSA-N 2 2 385.431 3.670 20 0 GHADLP C[NH+](C)CC(C)(C)C1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC001339444315 1059217227 /nfs/dbraw/zinc/21/72/27/1059217227.db2.gz UZHTXDQLEAASSK-FQEVSTJZSA-N 2 2 382.552 3.758 20 0 GHADLP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001451097159 1060738000 /nfs/dbraw/zinc/73/80/00/1060738000.db2.gz WKZHUVPAUJRLMI-NRFANRHFSA-N 2 2 399.510 3.889 20 0 GHADLP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001451097159 1060738017 /nfs/dbraw/zinc/73/80/17/1060738017.db2.gz WKZHUVPAUJRLMI-NRFANRHFSA-N 2 2 399.510 3.889 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(c3c[nH+]cn3C)CC2)CC1 ZINC001347215729 1062218744 /nfs/dbraw/zinc/21/87/44/1062218744.db2.gz HTOMPOYBAOOLDS-SFHVURJKSA-N 2 2 395.551 3.535 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC001348550858 1063206674 /nfs/dbraw/zinc/20/66/74/1063206674.db2.gz XZDQPVMVECEMSK-UHFFFAOYSA-N 2 2 395.410 3.708 20 0 GHADLP Cc1ccc2nc(NC(=O)C[N@@H+](C)Cc3ccc(C[NH+](C)C)cc3)sc2c1 ZINC001459875539 1064252695 /nfs/dbraw/zinc/25/26/95/1064252695.db2.gz DQTWPNHHYGZGTK-UHFFFAOYSA-N 2 2 382.533 3.737 20 0 GHADLP Cc1ccc2nc(NC(=O)C[N@H+](C)Cc3ccc(C[NH+](C)C)cc3)sc2c1 ZINC001459875539 1064252706 /nfs/dbraw/zinc/25/27/06/1064252706.db2.gz DQTWPNHHYGZGTK-UHFFFAOYSA-N 2 2 382.533 3.737 20 0 GHADLP CCOC(=O)c1c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)occ1C(F)(F)F ZINC001460022033 1064351585 /nfs/dbraw/zinc/35/15/85/1064351585.db2.gz YYQLCPJFSSNBGG-UHFFFAOYSA-N 2 2 388.430 3.783 20 0 GHADLP CCOC(=O)c1c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)occ1C(F)(F)F ZINC001460022033 1064351592 /nfs/dbraw/zinc/35/15/92/1064351592.db2.gz YYQLCPJFSSNBGG-UHFFFAOYSA-N 2 2 388.430 3.783 20 0 GHADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001353422140 1065943188 /nfs/dbraw/zinc/94/31/88/1065943188.db2.gz YJDMZWMXUZECSD-MOPGFXCFSA-N 2 2 389.588 3.505 20 0 GHADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001353422140 1065943195 /nfs/dbraw/zinc/94/31/95/1065943195.db2.gz YJDMZWMXUZECSD-MOPGFXCFSA-N 2 2 389.588 3.505 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC001466095494 1065981711 /nfs/dbraw/zinc/98/17/11/1065981711.db2.gz FSOCAYKTMUSAOU-FKBYEOEOSA-N 2 2 383.511 3.770 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC001466095494 1065981714 /nfs/dbraw/zinc/98/17/14/1065981714.db2.gz FSOCAYKTMUSAOU-FKBYEOEOSA-N 2 2 383.511 3.770 20 0 GHADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)cc1 ZINC001466927851 1066395522 /nfs/dbraw/zinc/39/55/22/1066395522.db2.gz TWZFDUVSBVKXNW-QFIPXVFZSA-N 2 2 381.520 3.750 20 0 GHADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)cc1 ZINC001466927851 1066395539 /nfs/dbraw/zinc/39/55/39/1066395539.db2.gz TWZFDUVSBVKXNW-QFIPXVFZSA-N 2 2 381.520 3.750 20 0 GHADLP CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001467372874 1067257812 /nfs/dbraw/zinc/25/78/12/1067257812.db2.gz JVVZBKAOJCWUQL-UHFFFAOYSA-N 2 2 385.512 3.651 20 0 GHADLP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001467372874 1067257825 /nfs/dbraw/zinc/25/78/25/1067257825.db2.gz JVVZBKAOJCWUQL-UHFFFAOYSA-N 2 2 385.512 3.651 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC001467592367 1067375520 /nfs/dbraw/zinc/37/55/20/1067375520.db2.gz ZWQSJFXFXQBITG-UHFFFAOYSA-N 2 2 395.551 3.710 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@@H+]3CCC[C@@H](OC4CCC4)C3)CC2)cc1 ZINC001460317266 1068922398 /nfs/dbraw/zinc/92/23/98/1068922398.db2.gz ROODBRMVBSSBEW-JOCHJYFZSA-N 2 2 391.987 3.886 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@H+]3CCC[C@@H](OC4CCC4)C3)CC2)cc1 ZINC001460317266 1068922403 /nfs/dbraw/zinc/92/24/03/1068922403.db2.gz ROODBRMVBSSBEW-JOCHJYFZSA-N 2 2 391.987 3.886 20 0 GHADLP C[N@H+](CCSc1ccc(F)cc1F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001460562616 1068996980 /nfs/dbraw/zinc/99/69/80/1068996980.db2.gz ZVMGCKJUBXPSMS-NRFANRHFSA-N 2 2 392.515 3.626 20 0 GHADLP C[N@@H+](CCSc1ccc(F)cc1F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001460562616 1068996983 /nfs/dbraw/zinc/99/69/83/1068996983.db2.gz ZVMGCKJUBXPSMS-NRFANRHFSA-N 2 2 392.515 3.626 20 0 GHADLP C[NH+](CCSc1ccc(F)cc1F)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001460562616 1068996987 /nfs/dbraw/zinc/99/69/87/1068996987.db2.gz ZVMGCKJUBXPSMS-NRFANRHFSA-N 2 2 392.515 3.626 20 0 GHADLP C[NH+](CCSc1ccc(F)cc1F)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001460562616 1068996994 /nfs/dbraw/zinc/99/69/94/1068996994.db2.gz ZVMGCKJUBXPSMS-NRFANRHFSA-N 2 2 392.515 3.626 20 0 GHADLP CCC1([NH+]2CCOCC2)CC[NH+](CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001460572262 1069001939 /nfs/dbraw/zinc/00/19/39/1069001939.db2.gz SPWZVJCLQPUPJD-UHFFFAOYSA-N 2 2 386.458 3.705 20 0 GHADLP CC[N@H+](CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)CCC(F)(F)F ZINC001478422482 1078862399 /nfs/dbraw/zinc/86/23/99/1078862399.db2.gz OCOMJQVGQFIMKW-HNNXBMFYSA-N 2 2 397.445 3.507 20 0 GHADLP CC[N@@H+](CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)CCC(F)(F)F ZINC001478422482 1078862401 /nfs/dbraw/zinc/86/24/01/1078862401.db2.gz OCOMJQVGQFIMKW-HNNXBMFYSA-N 2 2 397.445 3.507 20 0 GHADLP C[C@@]1([NH2+]CC[C@H]2CCOC2=O)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001460876534 1069245601 /nfs/dbraw/zinc/24/56/01/1069245601.db2.gz WLYSPZKLUOKSBN-WPFOTENUSA-N 2 2 378.516 3.588 20 0 GHADLP C[C@@]1([NH2+]CC[C@H]2CCOC2=O)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001460876534 1069245618 /nfs/dbraw/zinc/24/56/18/1069245618.db2.gz WLYSPZKLUOKSBN-WPFOTENUSA-N 2 2 378.516 3.588 20 0 GHADLP CC1CC[NH+](CC[C@@H]2CCCN2C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC001471156618 1072945168 /nfs/dbraw/zinc/94/51/68/1072945168.db2.gz FIKAGMUUCMSVBF-QFIPXVFZSA-N 2 2 380.536 3.658 20 0 GHADLP CC[NH+](CC)CC[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC001471587317 1073148039 /nfs/dbraw/zinc/14/80/39/1073148039.db2.gz OCZFTIIKDZIPOR-NHCUHLMSSA-N 2 2 397.567 3.782 20 0 GHADLP CC(C)[C@H](C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1)[NH+]1CCCCC1 ZINC001471737048 1073202279 /nfs/dbraw/zinc/20/22/79/1073202279.db2.gz VCABCPBTWWHIBI-HSZRJFAPSA-N 2 2 394.563 3.715 20 0 GHADLP FCc1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001473131398 1073796408 /nfs/dbraw/zinc/79/64/08/1073796408.db2.gz ZKRZIWONDMVVQF-HXUWFJFHSA-N 2 2 382.527 3.585 20 0 GHADLP FCc1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001473131398 1073796423 /nfs/dbraw/zinc/79/64/23/1073796423.db2.gz ZKRZIWONDMVVQF-HXUWFJFHSA-N 2 2 382.527 3.585 20 0 GHADLP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cc1 ZINC001473898470 1074195950 /nfs/dbraw/zinc/19/59/50/1074195950.db2.gz YZSXOQUNHAXDND-QGZVFWFLSA-N 2 2 384.524 3.855 20 0 GHADLP COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cc1 ZINC001473898470 1074195954 /nfs/dbraw/zinc/19/59/54/1074195954.db2.gz YZSXOQUNHAXDND-QGZVFWFLSA-N 2 2 384.524 3.855 20 0 GHADLP Fc1cc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)ccc1OC(F)F ZINC001473928898 1074207897 /nfs/dbraw/zinc/20/78/97/1074207897.db2.gz IIBKKQGFXIXOEA-UHFFFAOYSA-N 2 2 393.453 3.729 20 0 GHADLP Clc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CCOC4(CCCC4)C3)CC2)c1 ZINC001473984026 1074226167 /nfs/dbraw/zinc/22/61/67/1074226167.db2.gz NUTSWWRBRYVLNB-FQEVSTJZSA-N 2 2 391.987 3.934 20 0 GHADLP Cc1c(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)oc2ccc(F)cc12 ZINC001474016513 1074236519 /nfs/dbraw/zinc/23/65/19/1074236519.db2.gz SIHLPBWGEFSWNK-UHFFFAOYSA-N 2 2 398.478 3.881 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(F)c(C(F)(F)F)c3)[nH+]c2)C1 ZINC001474076904 1074256051 /nfs/dbraw/zinc/25/60/51/1074256051.db2.gz PKZXBHFCQLCLNX-HNNXBMFYSA-N 2 2 382.405 3.992 20 0 GHADLP CC1(C)[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC001474175882 1074284441 /nfs/dbraw/zinc/28/44/41/1074284441.db2.gz PYDHJIHSMUAETN-ZEQRLZLVSA-N 2 2 394.559 3.927 20 0 GHADLP c1ccc([C@H]2CSCC[N@H+]2Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001474401492 1074387668 /nfs/dbraw/zinc/38/76/68/1074387668.db2.gz XKQRRXGXYNDXGC-HSZRJFAPSA-N 2 2 398.572 3.688 20 0 GHADLP c1ccc([C@H]2CSCC[N@@H+]2Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001474401492 1074387678 /nfs/dbraw/zinc/38/76/78/1074387678.db2.gz XKQRRXGXYNDXGC-HSZRJFAPSA-N 2 2 398.572 3.688 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824545262 609147750 /nfs/dbraw/zinc/14/77/50/609147750.db2.gz BSPLJVSTSDIYTO-TXPKVOOTSA-N 2 2 394.498 3.710 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824545262 609147752 /nfs/dbraw/zinc/14/77/52/609147752.db2.gz BSPLJVSTSDIYTO-TXPKVOOTSA-N 2 2 394.498 3.710 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000826330921 609340761 /nfs/dbraw/zinc/34/07/61/609340761.db2.gz NLXUFARREGHBKH-ZIAGYGMSSA-N 2 2 391.454 3.912 20 0 GHADLP Cc1cc2c(nc[nH+]c2N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)[nH]1 ZINC001164693968 719806785 /nfs/dbraw/zinc/80/67/85/719806785.db2.gz STRTZCSZZSUYKJ-UHFFFAOYSA-N 2 2 382.537 3.666 20 0 GHADLP Cc1cc2c(nc[nH+]c2N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)[nH]1 ZINC001164693968 719806786 /nfs/dbraw/zinc/80/67/86/719806786.db2.gz STRTZCSZZSUYKJ-UHFFFAOYSA-N 2 2 382.537 3.666 20 0 GHADLP Cc1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc(C(C)C)[nH+]1 ZINC001164694715 719887661 /nfs/dbraw/zinc/88/76/61/719887661.db2.gz CYKVQOICTQTNFF-UHFFFAOYSA-N 2 2 386.565 3.841 20 0 GHADLP Cc1nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc(C(C)C)[nH+]1 ZINC001164694715 719887662 /nfs/dbraw/zinc/88/76/62/719887662.db2.gz CYKVQOICTQTNFF-UHFFFAOYSA-N 2 2 386.565 3.841 20 0 GHADLP Fc1cccc(Oc2ncccc2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655689567 837609165 /nfs/dbraw/zinc/60/91/65/837609165.db2.gz GDXLANAQQXKRBS-NRFANRHFSA-N 2 2 385.483 3.746 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1)C1CCCC1 ZINC000655697448 837686655 /nfs/dbraw/zinc/68/66/55/837686655.db2.gz QZWPFPIBUGAYQA-QFIPXVFZSA-N 2 2 385.552 3.548 20 0 GHADLP COc1cc2c(cc1C[NH2+]C1CC[NH+](CCc3ccccc3)CC1)O[C@H](C)C2 ZINC000030909955 837691944 /nfs/dbraw/zinc/69/19/44/837691944.db2.gz QUGVOWRRIRZBHF-GOSISDBHSA-N 2 2 380.532 3.815 20 0 GHADLP Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(OCC(F)(F)F)c1 ZINC000655724496 837742589 /nfs/dbraw/zinc/74/25/89/837742589.db2.gz YRQLPDVTJIEQRW-SFHVURJKSA-N 2 2 386.458 3.669 20 0 GHADLP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655722950 837743051 /nfs/dbraw/zinc/74/30/51/837743051.db2.gz JTLFYZQYJLGYNF-CQSZACIVSA-N 2 2 395.277 3.938 20 0 GHADLP COc1cccc(C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000655733180 837769090 /nfs/dbraw/zinc/76/90/90/837769090.db2.gz JXYROQOZQHMKPP-VWNXMTODSA-N 2 2 380.532 3.822 20 0 GHADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000583487911 834482882 /nfs/dbraw/zinc/48/28/82/834482882.db2.gz VNWNSSROYZHPPM-LJQANCHMSA-N 2 2 379.508 3.502 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc2ccncc2s1 ZINC000657856709 834542443 /nfs/dbraw/zinc/54/24/43/834542443.db2.gz VQXFCTPZDPBKJV-QGZVFWFLSA-N 2 2 397.544 3.858 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000144332786 834587652 /nfs/dbraw/zinc/58/76/52/834587652.db2.gz WSTMXHHIFHIQBI-UHFFFAOYSA-N 2 2 392.478 3.927 20 0 GHADLP C[C@@H]1CCc2c(sc3ncnc(NC4CC[NH+](C5CC[NH+](C)CC5)CC4)c23)C1 ZINC000050954542 834873219 /nfs/dbraw/zinc/87/32/19/834873219.db2.gz BIPPAOYYFIDCTO-OAHLLOKOSA-N 2 2 399.608 3.787 20 0 GHADLP Fc1cc(Br)cc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)c1 ZINC000655755707 837828524 /nfs/dbraw/zinc/82/85/24/837828524.db2.gz ITSRRWIHWRKNCF-MOPGFXCFSA-N 2 2 397.332 3.882 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Br)cn1 ZINC000579821763 835190174 /nfs/dbraw/zinc/19/01/74/835190174.db2.gz SOEOGYYWNBTENF-BBRMVZONSA-N 2 2 390.329 3.553 20 0 GHADLP CC(C)Oc1ccc2ccccc2c1C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131484013 835208938 /nfs/dbraw/zinc/20/89/38/835208938.db2.gz XXSZIJDMUKEZEP-QFIPXVFZSA-N 2 2 395.547 3.541 20 0 GHADLP CC(C)Oc1ccc2ccccc2c1C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131484013 835208943 /nfs/dbraw/zinc/20/89/43/835208943.db2.gz XXSZIJDMUKEZEP-QFIPXVFZSA-N 2 2 395.547 3.541 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)c(C)c1 ZINC000584041679 835492322 /nfs/dbraw/zinc/49/23/22/835492322.db2.gz ZMPBKXVKMPAMKL-JOCHJYFZSA-N 2 2 389.503 3.709 20 0 GHADLP CCc1noc(C2CCC([NH2+][C@H](Cc3[nH+]ccn3C)c3ccccc3)CC2)n1 ZINC000658196386 835504281 /nfs/dbraw/zinc/50/42/81/835504281.db2.gz RYHPTOOJOUNHLH-CTWPCTMYSA-N 2 2 379.508 3.965 20 0 GHADLP COc1cc2ccc([C@@H](C)[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2cc1OC ZINC000658295596 835560587 /nfs/dbraw/zinc/56/05/87/835560587.db2.gz NZFUDNMVRFYHKV-IIBYNOLFSA-N 2 2 384.520 3.761 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1cccnc1Cl ZINC000274820457 835653398 /nfs/dbraw/zinc/65/33/98/835653398.db2.gz JQBDQMUCGBOMSP-RYRKJORJSA-N 2 2 386.927 3.562 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1cccnc1Cl ZINC000274820457 835653400 /nfs/dbraw/zinc/65/34/00/835653400.db2.gz JQBDQMUCGBOMSP-RYRKJORJSA-N 2 2 386.927 3.562 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(Nc2ccccc2Cl)CC1 ZINC001167674663 835828278 /nfs/dbraw/zinc/82/82/78/835828278.db2.gz MWTOTNYGHMWZJT-HXUWFJFHSA-N 2 2 387.955 3.709 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(Nc2ccccc2Cl)CC1 ZINC001167674663 835828284 /nfs/dbraw/zinc/82/82/84/835828284.db2.gz MWTOTNYGHMWZJT-HXUWFJFHSA-N 2 2 387.955 3.709 20 0 GHADLP Cn1cc([C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c2cccc(F)c2)cn1 ZINC000180091872 836062816 /nfs/dbraw/zinc/06/28/16/836062816.db2.gz XVGYZZZZEUEFMZ-QFIPXVFZSA-N 2 2 375.451 3.683 20 0 GHADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000569929677 836181247 /nfs/dbraw/zinc/18/12/47/836181247.db2.gz UYEAXKFCAOELRR-UXPWSPDFSA-N 2 2 389.902 3.597 20 0 GHADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000569929677 836181253 /nfs/dbraw/zinc/18/12/53/836181253.db2.gz UYEAXKFCAOELRR-UXPWSPDFSA-N 2 2 389.902 3.597 20 0 GHADLP O=C([C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000613422493 836365299 /nfs/dbraw/zinc/36/52/99/836365299.db2.gz BPPQQFBMSAYMIG-HSZRJFAPSA-N 2 2 394.563 3.782 20 0 GHADLP COc1ccc(CCC[N@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001167130422 836501571 /nfs/dbraw/zinc/50/15/71/836501571.db2.gz HBZPIMVIAVHWSN-XMMPIXPASA-N 2 2 382.548 3.851 20 0 GHADLP COc1ccc(CCC[N@@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001167130422 836501576 /nfs/dbraw/zinc/50/15/76/836501576.db2.gz HBZPIMVIAVHWSN-XMMPIXPASA-N 2 2 382.548 3.851 20 0 GHADLP COc1ccc(CCC[NH+](C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001167130422 836501581 /nfs/dbraw/zinc/50/15/81/836501581.db2.gz HBZPIMVIAVHWSN-XMMPIXPASA-N 2 2 382.548 3.851 20 0 GHADLP COc1ccc(CCC[NH+](C)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001167130422 836501584 /nfs/dbraw/zinc/50/15/84/836501584.db2.gz HBZPIMVIAVHWSN-XMMPIXPASA-N 2 2 382.548 3.851 20 0 GHADLP Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000647490415 836563126 /nfs/dbraw/zinc/56/31/26/836563126.db2.gz WOIQGXHTHASUMB-KRWDZBQOSA-N 2 2 380.467 3.893 20 0 GHADLP Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000647490415 836563132 /nfs/dbraw/zinc/56/31/32/836563132.db2.gz WOIQGXHTHASUMB-KRWDZBQOSA-N 2 2 380.467 3.893 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000066037849 836614993 /nfs/dbraw/zinc/61/49/93/836614993.db2.gz VXAYVLFEXSPIER-UHFFFAOYSA-N 2 2 399.583 3.526 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(C[NH+](C)C)cc3F)cn2c1 ZINC000413943553 836878655 /nfs/dbraw/zinc/87/86/55/836878655.db2.gz YNAVDFRAIXSJHI-UHFFFAOYSA-N 2 2 386.496 3.715 20 0 GHADLP CC(C)[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1nnc2ccccn21 ZINC000155583526 837024468 /nfs/dbraw/zinc/02/44/68/837024468.db2.gz NSUDEQIKYHQWDL-JOCHJYFZSA-N 2 2 395.526 3.862 20 0 GHADLP CCc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001167251142 837037522 /nfs/dbraw/zinc/03/75/22/837037522.db2.gz BCKXMGBNMQOCKK-QHCPKHFHSA-N 2 2 378.564 3.678 20 0 GHADLP CCc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001167251142 837037534 /nfs/dbraw/zinc/03/75/34/837037534.db2.gz BCKXMGBNMQOCKK-QHCPKHFHSA-N 2 2 378.564 3.678 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472486662 837101485 /nfs/dbraw/zinc/10/14/85/837101485.db2.gz QZMPXGWVNKFIKF-QKNQBKEWSA-N 2 2 397.607 3.795 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472486662 837101489 /nfs/dbraw/zinc/10/14/89/837101489.db2.gz QZMPXGWVNKFIKF-QKNQBKEWSA-N 2 2 397.607 3.795 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000472486662 837101496 /nfs/dbraw/zinc/10/14/96/837101496.db2.gz QZMPXGWVNKFIKF-QKNQBKEWSA-N 2 2 397.607 3.795 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472486662 837101500 /nfs/dbraw/zinc/10/15/00/837101500.db2.gz QZMPXGWVNKFIKF-QKNQBKEWSA-N 2 2 397.607 3.795 20 0 GHADLP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376165627 837111648 /nfs/dbraw/zinc/11/16/48/837111648.db2.gz IWODBRXLDZRIJN-IBGZPJMESA-N 2 2 398.551 3.677 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CC[NH+](C(C)(C)C)CC3)n2)C1 ZINC000613116707 837266084 /nfs/dbraw/zinc/26/60/84/837266084.db2.gz WFMUUHHSJFIAOA-HNNXBMFYSA-N 2 2 393.601 3.759 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CC[NH+](C(C)(C)C)CC3)n2)C1 ZINC000613116707 837266092 /nfs/dbraw/zinc/26/60/92/837266092.db2.gz WFMUUHHSJFIAOA-HNNXBMFYSA-N 2 2 393.601 3.759 20 0 GHADLP Fc1ccccc1Oc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccn1 ZINC000655761573 837836759 /nfs/dbraw/zinc/83/67/59/837836759.db2.gz MDJPHAUBIHBDOR-LJQANCHMSA-N 2 2 385.483 3.746 20 0 GHADLP CSc1ccc(OCC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000177259581 837864162 /nfs/dbraw/zinc/86/41/62/837864162.db2.gz YJXIURSTOZEBOQ-UHFFFAOYSA-N 2 2 385.577 3.821 20 0 GHADLP CSc1ccc(OCC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000177259581 837864176 /nfs/dbraw/zinc/86/41/76/837864176.db2.gz YJXIURSTOZEBOQ-UHFFFAOYSA-N 2 2 385.577 3.821 20 0 GHADLP Fc1ccc(Oc2cccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)n2)cc1 ZINC000655793175 837914488 /nfs/dbraw/zinc/91/44/88/837914488.db2.gz VOIIVXVTKYPLPH-NRFANRHFSA-N 2 2 385.483 3.746 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377763827 837940813 /nfs/dbraw/zinc/94/08/13/837940813.db2.gz QGKYGGZSXXTBSR-QMMLZNLJSA-N 2 2 389.503 3.647 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377763827 837940816 /nfs/dbraw/zinc/94/08/16/837940816.db2.gz QGKYGGZSXXTBSR-QMMLZNLJSA-N 2 2 389.503 3.647 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377763827 837940820 /nfs/dbraw/zinc/94/08/20/837940820.db2.gz QGKYGGZSXXTBSR-QMMLZNLJSA-N 2 2 389.503 3.647 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377763827 837940823 /nfs/dbraw/zinc/94/08/23/837940823.db2.gz QGKYGGZSXXTBSR-QMMLZNLJSA-N 2 2 389.503 3.647 20 0 GHADLP CCSc1cc(Cl)ccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000460975131 838028737 /nfs/dbraw/zinc/02/87/37/838028737.db2.gz CVYBJZVWQATXHF-UHFFFAOYSA-N 2 2 383.989 3.550 20 0 GHADLP CCSc1cc(Cl)ccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000460975131 838028744 /nfs/dbraw/zinc/02/87/44/838028744.db2.gz CVYBJZVWQATXHF-UHFFFAOYSA-N 2 2 383.989 3.550 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000377837875 838041385 /nfs/dbraw/zinc/04/13/85/838041385.db2.gz SDLVIUKIGFQAJY-SFHVURJKSA-N 2 2 392.503 3.841 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3csc(-c4ccccc4F)n3)C2)CC1 ZINC000377898733 838127969 /nfs/dbraw/zinc/12/79/69/838127969.db2.gz CFSFYDINIXJWJC-GOSISDBHSA-N 2 2 388.556 3.550 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc(-c4ccccc4F)n3)C2)CC1 ZINC000377898733 838127977 /nfs/dbraw/zinc/12/79/77/838127977.db2.gz CFSFYDINIXJWJC-GOSISDBHSA-N 2 2 388.556 3.550 20 0 GHADLP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000415911996 838268705 /nfs/dbraw/zinc/26/87/05/838268705.db2.gz FQOIJKLLDABMSC-VQTJNVASSA-N 2 2 388.462 3.641 20 0 GHADLP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000415911996 838268713 /nfs/dbraw/zinc/26/87/13/838268713.db2.gz FQOIJKLLDABMSC-VQTJNVASSA-N 2 2 388.462 3.641 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)cc1F ZINC001125395025 838340558 /nfs/dbraw/zinc/34/05/58/838340558.db2.gz KCNQGSXGQJFJJX-UHFFFAOYSA-N 2 2 396.466 3.829 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415977999 838344332 /nfs/dbraw/zinc/34/43/32/838344332.db2.gz ZMHNPSQGBPZBSI-UHFFFAOYSA-N 2 2 381.524 3.571 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)C1 ZINC000683707149 838364236 /nfs/dbraw/zinc/36/42/36/838364236.db2.gz WVPQTRGOIZSGRW-DYXWJJEUSA-N 2 2 392.632 3.649 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)C1 ZINC000683707149 838364241 /nfs/dbraw/zinc/36/42/41/838364241.db2.gz WVPQTRGOIZSGRW-DYXWJJEUSA-N 2 2 392.632 3.649 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275707598 838453086 /nfs/dbraw/zinc/45/30/86/838453086.db2.gz UHQRJQMXDDHWEU-KRWDZBQOSA-N 2 2 386.565 3.763 20 0 GHADLP CCc1oc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1C(=O)OC ZINC000549400317 838581633 /nfs/dbraw/zinc/58/16/33/838581633.db2.gz SDANRJLVRWZXDX-LIRRHRJNSA-N 2 2 376.522 3.863 20 0 GHADLP CCc1oc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1C(=O)OC ZINC000549400317 838581641 /nfs/dbraw/zinc/58/16/41/838581641.db2.gz SDANRJLVRWZXDX-LIRRHRJNSA-N 2 2 376.522 3.863 20 0 GHADLP CCOc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc(Br)c1OC(F)F ZINC000415060067 839128417 /nfs/dbraw/zinc/12/84/17/839128417.db2.gz WAMPLMGGNLFNMF-CYBMUJFWSA-N 2 2 395.288 3.912 20 0 GHADLP CCOc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc(Br)c1OC(F)F ZINC000415060068 839129399 /nfs/dbraw/zinc/12/93/99/839129399.db2.gz WAMPLMGGNLFNMF-ZDUSSCGKSA-N 2 2 395.288 3.912 20 0 GHADLP CC(C)[NH+](CCCNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C(C)C ZINC000472746806 839376261 /nfs/dbraw/zinc/37/62/61/839376261.db2.gz GPYLKFXIWQVNNC-IBGZPJMESA-N 2 2 390.572 3.710 20 0 GHADLP CN(C)c1cc(Cl)cc(Cl)c1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000580372018 839407994 /nfs/dbraw/zinc/40/79/94/839407994.db2.gz DVVGSPVAHLFDDW-UHFFFAOYSA-N 2 2 387.399 3.517 20 0 GHADLP CN(C)c1cc(Cl)cc(Cl)c1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000580372018 839408001 /nfs/dbraw/zinc/40/80/01/839408001.db2.gz DVVGSPVAHLFDDW-UHFFFAOYSA-N 2 2 387.399 3.517 20 0 GHADLP C[N@@H+]1CCC[C@H](C[NH2+]C2CCS(=O)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000892990054 839837346 /nfs/dbraw/zinc/83/73/46/839837346.db2.gz XVORITOQDPNKDT-WLBPFJOVSA-N 2 2 388.499 3.589 20 0 GHADLP C[N@H+]1CCC[C@H](C[NH2+]C2CCS(=O)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000892990054 839837356 /nfs/dbraw/zinc/83/73/56/839837356.db2.gz XVORITOQDPNKDT-WLBPFJOVSA-N 2 2 388.499 3.589 20 0 GHADLP CCCNC(=O)c1cccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000160613042 840071595 /nfs/dbraw/zinc/07/15/95/840071595.db2.gz CSDIWYNILCZGDX-UHFFFAOYSA-N 2 2 394.563 3.651 20 0 GHADLP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)ccc1OCc1c(C)noc1C ZINC000062254748 840481254 /nfs/dbraw/zinc/48/12/54/840481254.db2.gz BNMXUVJPRKDNAN-HNNXBMFYSA-N 2 2 384.480 3.501 20 0 GHADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000580980107 840556578 /nfs/dbraw/zinc/55/65/78/840556578.db2.gz WETRQUPBENHTPH-ZFWWWQNUSA-N 2 2 389.284 3.967 20 0 GHADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000580980107 840556588 /nfs/dbraw/zinc/55/65/88/840556588.db2.gz WETRQUPBENHTPH-ZFWWWQNUSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000580980107 840556592 /nfs/dbraw/zinc/55/65/92/840556592.db2.gz WETRQUPBENHTPH-ZFWWWQNUSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000580980107 840556603 /nfs/dbraw/zinc/55/66/03/840556603.db2.gz WETRQUPBENHTPH-ZFWWWQNUSA-N 2 2 389.284 3.967 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3ncc(-c4ccccc4C)o3)CC2)CC1 ZINC000581064940 840659838 /nfs/dbraw/zinc/65/98/38/840659838.db2.gz DNFGKXNJKICUTB-UHFFFAOYSA-N 2 2 382.552 3.642 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ncc(-c4ccccc4C)o3)CC2)CC1 ZINC000581064940 840659846 /nfs/dbraw/zinc/65/98/46/840659846.db2.gz DNFGKXNJKICUTB-UHFFFAOYSA-N 2 2 382.552 3.642 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CC[C@H](COc4ccccc4)C3)C2)cc1 ZINC000584795685 840900601 /nfs/dbraw/zinc/90/06/01/840900601.db2.gz USHLWUAZBARLMB-LADGPHEKSA-N 2 2 380.532 3.678 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CC[C@H](COc4ccccc4)C3)C2)cc1 ZINC000584795685 840900612 /nfs/dbraw/zinc/90/06/12/840900612.db2.gz USHLWUAZBARLMB-LADGPHEKSA-N 2 2 380.532 3.678 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CC[C@H](COc4ccccc4)C3)C2)cc1 ZINC000584795685 840900621 /nfs/dbraw/zinc/90/06/21/840900621.db2.gz USHLWUAZBARLMB-LADGPHEKSA-N 2 2 380.532 3.678 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CC[C@H](COc4ccccc4)C3)C2)cc1 ZINC000584795685 840900633 /nfs/dbraw/zinc/90/06/33/840900633.db2.gz USHLWUAZBARLMB-LADGPHEKSA-N 2 2 380.532 3.678 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3csc(CCc4ccccc4)n3)C2)CC1 ZINC000364135228 840931430 /nfs/dbraw/zinc/93/14/30/840931430.db2.gz VERQCYSRVGUFBS-JOCHJYFZSA-N 2 2 398.620 3.529 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc(CCc4ccccc4)n3)C2)CC1 ZINC000364135228 840931442 /nfs/dbraw/zinc/93/14/42/840931442.db2.gz VERQCYSRVGUFBS-JOCHJYFZSA-N 2 2 398.620 3.529 20 0 GHADLP CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660673781 841088401 /nfs/dbraw/zinc/08/84/01/841088401.db2.gz FPXAGRBHTWSXJL-JOCHJYFZSA-N 2 2 382.548 3.804 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430582050 841237416 /nfs/dbraw/zinc/23/74/16/841237416.db2.gz JFBLZOIPSIBDAJ-QJPTWQEYSA-N 2 2 377.838 3.745 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430582050 841237425 /nfs/dbraw/zinc/23/74/25/841237425.db2.gz JFBLZOIPSIBDAJ-QJPTWQEYSA-N 2 2 377.838 3.745 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000603808839 861211784 /nfs/dbraw/zinc/21/17/84/861211784.db2.gz JPDQJDSDIDNMDM-IBGZPJMESA-N 2 2 388.393 3.727 20 0 GHADLP Cc1ccc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c(N(C)C)[nH+]1 ZINC000162673864 841904752 /nfs/dbraw/zinc/90/47/52/841904752.db2.gz OZGOICFHULCRND-UHFFFAOYSA-N 2 2 381.524 3.584 20 0 GHADLP O=C(CCc1ccccc1)N1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000047744280 842034659 /nfs/dbraw/zinc/03/46/59/842034659.db2.gz SVSYSLUBNRPULY-UHFFFAOYSA-N 2 2 388.515 3.586 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1nc(-c2ccccc2)cs1 ZINC000177827787 861272832 /nfs/dbraw/zinc/27/28/32/861272832.db2.gz HDMRIEMYHRYZDJ-QGZVFWFLSA-N 2 2 393.560 3.808 20 0 GHADLP CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001167833713 842207329 /nfs/dbraw/zinc/20/73/29/842207329.db2.gz DIRGRRAADYYRHE-DYESRHJHSA-N 2 2 376.541 3.668 20 0 GHADLP CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001167833713 842207339 /nfs/dbraw/zinc/20/73/39/842207339.db2.gz DIRGRRAADYYRHE-DYESRHJHSA-N 2 2 376.541 3.668 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccccc1F ZINC000647182919 842257746 /nfs/dbraw/zinc/25/77/46/842257746.db2.gz ZSKREAIAHLJJMY-TZIWHRDSSA-N 2 2 393.506 3.718 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccccc1F ZINC000647182919 842257756 /nfs/dbraw/zinc/25/77/56/842257756.db2.gz ZSKREAIAHLJJMY-TZIWHRDSSA-N 2 2 393.506 3.718 20 0 GHADLP COc1cc2cc[nH+]c(N3CC[NH+]([C@H](C)c4cccnc4)CC3)c2cc1OC ZINC000663612627 842348077 /nfs/dbraw/zinc/34/80/77/842348077.db2.gz YYNMKCLAYXHEHQ-MRXNPFEDSA-N 2 2 378.476 3.530 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000471767898 842425011 /nfs/dbraw/zinc/42/50/11/842425011.db2.gz HULONWYDDKBOHW-GGAORHGYSA-N 2 2 388.515 3.685 20 0 GHADLP c1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481423639 861317205 /nfs/dbraw/zinc/31/72/05/861317205.db2.gz NMGSPDAXEXWZEM-DEOSSOPVSA-N 2 2 380.532 3.955 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)[C@](C)([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162016 842654193 /nfs/dbraw/zinc/65/41/93/842654193.db2.gz CTHHAERZBVKTEY-IRFCIJBXSA-N 2 2 389.902 3.605 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)[C@](C)([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162016 842654196 /nfs/dbraw/zinc/65/41/96/842654196.db2.gz CTHHAERZBVKTEY-IRFCIJBXSA-N 2 2 389.902 3.605 20 0 GHADLP O=C(CCc1[nH]cc[nH+]1)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000279217981 842720043 /nfs/dbraw/zinc/72/00/43/842720043.db2.gz ONNVIICNBZTWSA-UHFFFAOYSA-N 2 2 388.515 3.922 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000471863624 843002613 /nfs/dbraw/zinc/00/26/13/843002613.db2.gz WRGLFXXGGIHSHY-UTKZUKDTSA-N 2 2 387.474 3.575 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000471863624 843002623 /nfs/dbraw/zinc/00/26/23/843002623.db2.gz WRGLFXXGGIHSHY-UTKZUKDTSA-N 2 2 387.474 3.575 20 0 GHADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000247652024 843032462 /nfs/dbraw/zinc/03/24/62/843032462.db2.gz WNPNITTXYBFEFA-JZZBYWGLSA-N 2 2 395.551 3.531 20 0 GHADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000247652024 843032478 /nfs/dbraw/zinc/03/24/78/843032478.db2.gz WNPNITTXYBFEFA-JZZBYWGLSA-N 2 2 395.551 3.531 20 0 GHADLP Cc1cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000662325792 843142104 /nfs/dbraw/zinc/14/21/04/843142104.db2.gz PRDLYZKYAUXDHN-HXUWFJFHSA-N 2 2 388.943 3.648 20 0 GHADLP Cc1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000662325792 843142109 /nfs/dbraw/zinc/14/21/09/843142109.db2.gz PRDLYZKYAUXDHN-HXUWFJFHSA-N 2 2 388.943 3.648 20 0 GHADLP Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512236838 843170714 /nfs/dbraw/zinc/17/07/14/843170714.db2.gz KRPXXOOPKYJYEJ-OFVILXPXSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512236838 843170720 /nfs/dbraw/zinc/17/07/20/843170720.db2.gz KRPXXOOPKYJYEJ-OFVILXPXSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccc(CNC(=O)[C@H](C)[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512236838 843170725 /nfs/dbraw/zinc/17/07/25/843170725.db2.gz KRPXXOOPKYJYEJ-OFVILXPXSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccc(CNC(=O)[C@H](C)[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512236838 843170739 /nfs/dbraw/zinc/17/07/39/843170739.db2.gz KRPXXOOPKYJYEJ-OFVILXPXSA-N 2 2 391.559 3.598 20 0 GHADLP C[NH2+]C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000430932763 843197793 /nfs/dbraw/zinc/19/77/93/843197793.db2.gz HCCHYNWJDAWUDB-UHFFFAOYSA-N 2 2 376.504 3.732 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512252926 843229635 /nfs/dbraw/zinc/22/96/35/843229635.db2.gz NMZAYLVXWYBMJQ-RUZDIDTESA-N 2 2 391.559 3.633 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512252926 843229640 /nfs/dbraw/zinc/22/96/40/843229640.db2.gz NMZAYLVXWYBMJQ-RUZDIDTESA-N 2 2 391.559 3.633 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512252926 843229649 /nfs/dbraw/zinc/22/96/49/843229649.db2.gz NMZAYLVXWYBMJQ-RUZDIDTESA-N 2 2 391.559 3.633 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512252926 843229662 /nfs/dbraw/zinc/22/96/62/843229662.db2.gz NMZAYLVXWYBMJQ-RUZDIDTESA-N 2 2 391.559 3.633 20 0 GHADLP CCOc1c(Br)cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000512379390 843598550 /nfs/dbraw/zinc/59/85/50/843598550.db2.gz HYBONKDOJZRLAG-UHFFFAOYSA-N 2 2 394.313 3.959 20 0 GHADLP COCCOc1cccc(C[NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000512831531 843826444 /nfs/dbraw/zinc/82/64/44/843826444.db2.gz DCHDSBYDMRUYJX-DEOSSOPVSA-N 2 2 382.548 3.884 20 0 GHADLP COCCOc1cccc(C[NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)c1 ZINC000512831531 843826446 /nfs/dbraw/zinc/82/64/46/843826446.db2.gz DCHDSBYDMRUYJX-DEOSSOPVSA-N 2 2 382.548 3.884 20 0 GHADLP Cc1ccc(OC[C@@H](O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000576150352 843908941 /nfs/dbraw/zinc/90/89/41/843908941.db2.gz OFEGBDYRYPRTPB-NZQKXSOJSA-N 2 2 379.504 3.579 20 0 GHADLP CN1CC[N@@H+](C)C[C@H]1CNc1cc(C2CC2)[nH+]c2c(Br)cccc12 ZINC000432825648 843993603 /nfs/dbraw/zinc/99/36/03/843993603.db2.gz XGEFEGBHNVXHLZ-CQSZACIVSA-N 2 2 389.341 3.532 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4([NH+]5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512616567 844752013 /nfs/dbraw/zinc/75/20/13/844752013.db2.gz BRKSANZUUJQBIF-RBZQAINGSA-N 3 2 397.607 3.522 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4([NH+]5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512616567 844752020 /nfs/dbraw/zinc/75/20/20/844752020.db2.gz BRKSANZUUJQBIF-RBZQAINGSA-N 3 2 397.607 3.522 20 0 GHADLP c1cc2cccc(C[N@H+]3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)c2[nH]1 ZINC000512668019 844974778 /nfs/dbraw/zinc/97/47/78/844974778.db2.gz IJRGUIGDOKEVHY-HXUWFJFHSA-N 2 2 389.547 3.597 20 0 GHADLP c1cc2cccc(C[N@@H+]3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)c2[nH]1 ZINC000512668019 844974784 /nfs/dbraw/zinc/97/47/84/844974784.db2.gz IJRGUIGDOKEVHY-HXUWFJFHSA-N 2 2 389.547 3.597 20 0 GHADLP CC[N@H+](CCC1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1)CC(C)C ZINC000433750040 845296932 /nfs/dbraw/zinc/29/69/32/845296932.db2.gz RRQKIYGENHFIRB-UHFFFAOYSA-N 2 2 391.629 3.614 20 0 GHADLP CC[N@@H+](CCC1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1)CC(C)C ZINC000433750040 845296947 /nfs/dbraw/zinc/29/69/47/845296947.db2.gz RRQKIYGENHFIRB-UHFFFAOYSA-N 2 2 391.629 3.614 20 0 GHADLP CC[N@H+](CCC1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1)CC(C)C ZINC000433750040 845296962 /nfs/dbraw/zinc/29/69/62/845296962.db2.gz RRQKIYGENHFIRB-UHFFFAOYSA-N 2 2 391.629 3.614 20 0 GHADLP CC[N@@H+](CCC1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1)CC(C)C ZINC000433750040 845296975 /nfs/dbraw/zinc/29/69/75/845296975.db2.gz RRQKIYGENHFIRB-UHFFFAOYSA-N 2 2 391.629 3.614 20 0 GHADLP Cc1ncccc1OC[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000419395459 845539652 /nfs/dbraw/zinc/53/96/52/845539652.db2.gz UJLBZBWARSJXAE-GOTSBHOMSA-N 2 2 395.547 3.524 20 0 GHADLP Cc1ncccc1OC[C@@H]1CCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000419395459 845539659 /nfs/dbraw/zinc/53/96/59/845539659.db2.gz UJLBZBWARSJXAE-GOTSBHOMSA-N 2 2 395.547 3.524 20 0 GHADLP Cc1ncccc1OC[C@@H]1CCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419395459 845539666 /nfs/dbraw/zinc/53/96/66/845539666.db2.gz UJLBZBWARSJXAE-GOTSBHOMSA-N 2 2 395.547 3.524 20 0 GHADLP Cc1ncccc1OC[C@@H]1CCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419395459 845539670 /nfs/dbraw/zinc/53/96/70/845539670.db2.gz UJLBZBWARSJXAE-GOTSBHOMSA-N 2 2 395.547 3.524 20 0 GHADLP Clc1ccc(OCC2CC2)c(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000430019641 845597414 /nfs/dbraw/zinc/59/74/14/845597414.db2.gz HWEQFGIDOVDCBT-QGZVFWFLSA-N 2 2 378.944 3.719 20 0 GHADLP Fc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1OC(F)F ZINC000657292652 845756991 /nfs/dbraw/zinc/75/69/91/845756991.db2.gz BLOWISHJWQXNMR-UHFFFAOYSA-N 2 2 380.410 3.549 20 0 GHADLP COc1ccc([C@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc1O ZINC000582032422 846107060 /nfs/dbraw/zinc/10/70/60/846107060.db2.gz HOKXXKXHAMUHMH-FQEVSTJZSA-N 2 2 397.563 3.649 20 0 GHADLP CC(C)c1ccc([C@@H](C)CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000157741946 846154062 /nfs/dbraw/zinc/15/40/62/846154062.db2.gz CPOJFJNSEVNYNR-IBGZPJMESA-N 2 2 385.596 3.978 20 0 GHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)CC1 ZINC000513673318 846219607 /nfs/dbraw/zinc/21/96/07/846219607.db2.gz PFUKQJPZHRKBFS-UHFFFAOYSA-N 2 2 398.378 3.760 20 0 GHADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCO2 ZINC000760015731 846329542 /nfs/dbraw/zinc/32/95/42/846329542.db2.gz GXTQOCACKHAXIN-DHIUTWEWSA-N 2 2 380.532 3.953 20 0 GHADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCO2 ZINC000760015731 846329555 /nfs/dbraw/zinc/32/95/55/846329555.db2.gz GXTQOCACKHAXIN-DHIUTWEWSA-N 2 2 380.532 3.953 20 0 GHADLP COCC[C@@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000502706206 846367205 /nfs/dbraw/zinc/36/72/05/846367205.db2.gz DXANAUYULAPLHZ-GHTZIAJQSA-N 2 2 379.976 3.647 20 0 GHADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000502862507 846568479 /nfs/dbraw/zinc/56/84/79/846568479.db2.gz NSUQVCFQOHUBIR-OJTSNAHWSA-N 2 2 398.595 3.539 20 0 GHADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000502862507 846568486 /nfs/dbraw/zinc/56/84/86/846568486.db2.gz NSUQVCFQOHUBIR-OJTSNAHWSA-N 2 2 398.595 3.539 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(C)(C)c3ccc(Cl)cc3)CC2)CC1 ZINC000422002381 846740822 /nfs/dbraw/zinc/74/08/22/846740822.db2.gz APVSGVXAESZMBV-UHFFFAOYSA-N 2 2 391.987 3.636 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(C)(C)c3ccc(Cl)cc3)CC2)CC1 ZINC000422002381 846740840 /nfs/dbraw/zinc/74/08/40/846740840.db2.gz APVSGVXAESZMBV-UHFFFAOYSA-N 2 2 391.987 3.636 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3c(Cl)cccc3Cl)CC2)CC1 ZINC000422003491 846742565 /nfs/dbraw/zinc/74/25/65/846742565.db2.gz DEGGMOBDSDAETB-UHFFFAOYSA-N 2 2 398.378 3.555 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3c(Cl)cccc3Cl)CC2)CC1 ZINC000422003491 846742572 /nfs/dbraw/zinc/74/25/72/846742572.db2.gz DEGGMOBDSDAETB-UHFFFAOYSA-N 2 2 398.378 3.555 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc4c(s3)CC[C@H](C)C4)CC2)CC1 ZINC000422006181 846744114 /nfs/dbraw/zinc/74/41/14/846744114.db2.gz KZUZPGXDXQTQSZ-KRWDZBQOSA-N 2 2 389.609 3.505 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc4c(s3)CC[C@H](C)C4)CC2)CC1 ZINC000422006181 846744122 /nfs/dbraw/zinc/74/41/22/846744122.db2.gz KZUZPGXDXQTQSZ-KRWDZBQOSA-N 2 2 389.609 3.505 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccccc3SC(C)C)CC2)CC1 ZINC000422012216 846752253 /nfs/dbraw/zinc/75/22/53/846752253.db2.gz VQLPGCLXOFNYQH-UHFFFAOYSA-N 2 2 389.609 3.819 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccccc3SC(C)C)CC2)CC1 ZINC000422012216 846752262 /nfs/dbraw/zinc/75/22/62/846752262.db2.gz VQLPGCLXOFNYQH-UHFFFAOYSA-N 2 2 389.609 3.819 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3occc3-c3ccc(F)cc3)CC2)CC1 ZINC000422014063 846753104 /nfs/dbraw/zinc/75/31/04/846753104.db2.gz FUBAPHPWDCUTQA-UHFFFAOYSA-N 2 2 399.510 3.718 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3occc3-c3ccc(F)cc3)CC2)CC1 ZINC000422014063 846753112 /nfs/dbraw/zinc/75/31/12/846753112.db2.gz FUBAPHPWDCUTQA-UHFFFAOYSA-N 2 2 399.510 3.718 20 0 GHADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000503052286 846770004 /nfs/dbraw/zinc/77/00/04/846770004.db2.gz KOCMOZXLODUGLL-UHFFFAOYSA-N 2 2 388.562 3.706 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)CC2)CC1 ZINC000422018072 846770392 /nfs/dbraw/zinc/77/03/92/846770392.db2.gz JUDHZUVEROJTFI-IAGOWNOFSA-N 2 2 396.000 3.524 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)CC2)CC1 ZINC000422018072 846770400 /nfs/dbraw/zinc/77/04/00/846770400.db2.gz JUDHZUVEROJTFI-IAGOWNOFSA-N 2 2 396.000 3.524 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+](C2CCC2)CC1)c1ccccc1Cl ZINC000503133132 846835892 /nfs/dbraw/zinc/83/58/92/846835892.db2.gz BFYJNNFKPXTYQV-FQEVSTJZSA-N 2 2 392.975 3.603 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3c4ccccc4CC[C@@H]3C)CC2)CC1 ZINC000422178513 846875894 /nfs/dbraw/zinc/87/58/94/846875894.db2.gz JRIGVTSHWIIQEG-WMZHIEFXSA-N 2 2 398.595 3.512 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3c4ccccc4CC[C@@H]3C)CC2)CC1 ZINC000422178513 846875900 /nfs/dbraw/zinc/87/59/00/846875900.db2.gz JRIGVTSHWIIQEG-WMZHIEFXSA-N 2 2 398.595 3.512 20 0 GHADLP c1cncc([C@H]2CCC[C@H]([NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)c1 ZINC000501473130 846944168 /nfs/dbraw/zinc/94/41/68/846944168.db2.gz BJBYKMZGSQMFGF-GMAHTHKFSA-N 2 2 395.547 3.609 20 0 GHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158507306 847043976 /nfs/dbraw/zinc/04/39/76/847043976.db2.gz ZYWQZDCQVWXWRH-HNNXBMFYSA-N 2 2 387.597 3.747 20 0 GHADLP CN(C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C(c1ccccc1)c1ccccc1 ZINC000647899571 847085137 /nfs/dbraw/zinc/08/51/37/847085137.db2.gz POZLMVGOTRGLJP-PKTZIBPZSA-N 2 2 391.559 3.698 20 0 GHADLP CN(C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C(c1ccccc1)c1ccccc1 ZINC000647899571 847085146 /nfs/dbraw/zinc/08/51/46/847085146.db2.gz POZLMVGOTRGLJP-PKTZIBPZSA-N 2 2 391.559 3.698 20 0 GHADLP CSc1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000511115444 847127806 /nfs/dbraw/zinc/12/78/06/847127806.db2.gz MRANKADEHOBJAT-HXUWFJFHSA-N 2 2 396.604 3.838 20 0 GHADLP CSc1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000511115444 847127811 /nfs/dbraw/zinc/12/78/11/847127811.db2.gz MRANKADEHOBJAT-HXUWFJFHSA-N 2 2 396.604 3.838 20 0 GHADLP [NH3+]C[C@H]([NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CCCCC1 ZINC000420365042 847141825 /nfs/dbraw/zinc/14/18/25/847141825.db2.gz KRRPKVVBNMMAEQ-IBGZPJMESA-N 2 2 397.485 3.694 20 0 GHADLP CC(C)c1sc(NC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)nc1-c1ccccc1 ZINC000420365926 847142095 /nfs/dbraw/zinc/14/20/95/847142095.db2.gz QNSOZDQQMCGUAD-MRXNPFEDSA-N 2 2 386.565 3.850 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000420402453 847167410 /nfs/dbraw/zinc/16/74/10/847167410.db2.gz QJTRSXMHZKOJCW-HKUYNNGSSA-N 2 2 385.533 3.561 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000420402453 847167417 /nfs/dbraw/zinc/16/74/17/847167417.db2.gz QJTRSXMHZKOJCW-HKUYNNGSSA-N 2 2 385.533 3.561 20 0 GHADLP CCC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668616570 847266088 /nfs/dbraw/zinc/26/60/88/847266088.db2.gz DNDSQGBDVASUPF-LEWJYISDSA-N 2 2 391.987 3.851 20 0 GHADLP CCC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668616570 847266100 /nfs/dbraw/zinc/26/61/00/847266100.db2.gz DNDSQGBDVASUPF-LEWJYISDSA-N 2 2 391.987 3.851 20 0 GHADLP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2c(F)cc(F)c(F)c2F)CC1 ZINC000430042536 847314468 /nfs/dbraw/zinc/31/44/68/847314468.db2.gz YSGVXRHBYUBLOR-UHFFFAOYSA-N 2 2 381.417 3.675 20 0 GHADLP COc1cc(C[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)ccc1SC ZINC000420898045 847517241 /nfs/dbraw/zinc/51/72/41/847517241.db2.gz CDWMZGOSVKFREW-UHFFFAOYSA-N 2 2 386.561 3.881 20 0 GHADLP COc1cc(C[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)ccc1SC ZINC000420898045 847517247 /nfs/dbraw/zinc/51/72/47/847517247.db2.gz CDWMZGOSVKFREW-UHFFFAOYSA-N 2 2 386.561 3.881 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420946968 847568255 /nfs/dbraw/zinc/56/82/55/847568255.db2.gz BRYQNHIGXLUPEZ-DLTYFMDKSA-N 2 2 386.580 3.670 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420946968 847568261 /nfs/dbraw/zinc/56/82/61/847568261.db2.gz BRYQNHIGXLUPEZ-DLTYFMDKSA-N 2 2 386.580 3.670 20 0 GHADLP CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503364481 847642783 /nfs/dbraw/zinc/64/27/83/847642783.db2.gz DEJZGEUSTKKYGE-FPOVZHCZSA-N 2 2 397.563 3.962 20 0 GHADLP CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503364481 847642790 /nfs/dbraw/zinc/64/27/90/847642790.db2.gz DEJZGEUSTKKYGE-FPOVZHCZSA-N 2 2 397.563 3.962 20 0 GHADLP CCc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503381462 847656002 /nfs/dbraw/zinc/65/60/02/847656002.db2.gz ZERYKBKHBDBOHN-NRFANRHFSA-N 2 2 394.563 3.620 20 0 GHADLP CCc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503381462 847656007 /nfs/dbraw/zinc/65/60/07/847656007.db2.gz ZERYKBKHBDBOHN-NRFANRHFSA-N 2 2 394.563 3.620 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(C4CC4)c(C)c3)CC2)CC1 ZINC000421091253 847710372 /nfs/dbraw/zinc/71/03/72/847710372.db2.gz DPUPSISHIRVMPR-UHFFFAOYSA-N 2 2 384.568 3.896 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(C4CC4)c(C)c3)CC2)CC1 ZINC000421091253 847710378 /nfs/dbraw/zinc/71/03/78/847710378.db2.gz DPUPSISHIRVMPR-UHFFFAOYSA-N 2 2 384.568 3.896 20 0 GHADLP COc1ccc([C@@H]([NH2+]C2CCN(c3ccccc3OC)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422841691 847862581 /nfs/dbraw/zinc/86/25/81/847862581.db2.gz WOVBJQMFDAXDKG-ZJSXRUAMSA-N 2 2 395.547 3.756 20 0 GHADLP COc1cccc(Oc2ccc(C[NH2+][C@H](Cc3ccccc3)[C@@H](C)[NH3+])cn2)c1 ZINC000422893510 847888421 /nfs/dbraw/zinc/88/84/21/847888421.db2.gz ACAFEEQXXDYRQC-VGOFRKELSA-N 2 2 377.488 3.931 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)[C@@H]2CCC[NH2+]2)cc1 ZINC000422971264 847922456 /nfs/dbraw/zinc/92/24/56/847922456.db2.gz XYFRVZPXHUQPJR-VJBWXMMDSA-N 2 2 382.548 3.880 20 0 GHADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)c2ccccc21 ZINC000422973662 847923954 /nfs/dbraw/zinc/92/39/54/847923954.db2.gz PGJCAXDPJPEWMD-VXKWHMMOSA-N 2 2 375.472 3.774 20 0 GHADLP OC1CC[NH+](CCC[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000421321375 847943769 /nfs/dbraw/zinc/94/37/69/847943769.db2.gz DNGBYKRBCIEDRB-UHFFFAOYSA-N 2 2 382.552 3.602 20 0 GHADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000423056586 847955813 /nfs/dbraw/zinc/95/58/13/847955813.db2.gz YOSVUGPJFJMHDD-RYGJVYDSSA-N 2 2 379.470 3.856 20 0 GHADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423056586 847955820 /nfs/dbraw/zinc/95/58/20/847955820.db2.gz YOSVUGPJFJMHDD-RYGJVYDSSA-N 2 2 379.470 3.856 20 0 GHADLP C[C@@H](CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CC[NH2+]CC1 ZINC000237545630 848375574 /nfs/dbraw/zinc/37/55/74/848375574.db2.gz LHMDISZXKLDNDO-KXBFYZLASA-N 2 2 395.950 3.586 20 0 GHADLP C[C@@H](CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CC[NH2+]CC1 ZINC000237545630 848375580 /nfs/dbraw/zinc/37/55/80/848375580.db2.gz LHMDISZXKLDNDO-KXBFYZLASA-N 2 2 395.950 3.586 20 0 GHADLP C[NH+](C)CCC1CC[NH+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC000121637760 848801863 /nfs/dbraw/zinc/80/18/63/848801863.db2.gz OZRGJERWGWYLAU-UHFFFAOYSA-N 2 2 396.560 3.815 20 0 GHADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1cc2ccccc2o1 ZINC000472280469 849045566 /nfs/dbraw/zinc/04/55/66/849045566.db2.gz XSCGGQIJRHUQJF-GHTZIAJQSA-N 2 2 391.515 3.644 20 0 GHADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000472280469 849045572 /nfs/dbraw/zinc/04/55/72/849045572.db2.gz XSCGGQIJRHUQJF-GHTZIAJQSA-N 2 2 391.515 3.644 20 0 GHADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1cc2ccccc2o1 ZINC000472280469 849045577 /nfs/dbraw/zinc/04/55/77/849045577.db2.gz XSCGGQIJRHUQJF-GHTZIAJQSA-N 2 2 391.515 3.644 20 0 GHADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1cc2ccccc2o1 ZINC000472280469 849045582 /nfs/dbraw/zinc/04/55/82/849045582.db2.gz XSCGGQIJRHUQJF-GHTZIAJQSA-N 2 2 391.515 3.644 20 0 GHADLP Brc1ccc2oc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2c1 ZINC000657751853 849644637 /nfs/dbraw/zinc/64/46/37/849644637.db2.gz MDLAXOMQZQCLKD-INIZCTEOSA-N 2 2 379.298 3.538 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)NCC3CCCCC3)C2)s1 ZINC000583348652 849674729 /nfs/dbraw/zinc/67/47/29/849674729.db2.gz ZDFOTMOMWMERPM-AZUAARDMSA-N 2 2 391.625 3.895 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)NCC3CCCCC3)C2)s1 ZINC000583348652 849674736 /nfs/dbraw/zinc/67/47/36/849674736.db2.gz ZDFOTMOMWMERPM-AZUAARDMSA-N 2 2 391.625 3.895 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NCC3CCCCC3)C2)s1 ZINC000583348652 849674742 /nfs/dbraw/zinc/67/47/42/849674742.db2.gz ZDFOTMOMWMERPM-AZUAARDMSA-N 2 2 391.625 3.895 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NCC3CCCCC3)C2)s1 ZINC000583348652 849674746 /nfs/dbraw/zinc/67/47/46/849674746.db2.gz ZDFOTMOMWMERPM-AZUAARDMSA-N 2 2 391.625 3.895 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc2n(n1)CCCC2 ZINC000647288196 849709061 /nfs/dbraw/zinc/70/90/61/849709061.db2.gz RYTQKVXGTQAPEM-DLBZAZTESA-N 2 2 385.531 3.522 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1)C(C)C ZINC000505506655 849745399 /nfs/dbraw/zinc/74/53/99/849745399.db2.gz NMXDCAAFEHOUDB-JOCHJYFZSA-N 2 2 383.511 3.843 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1)C(C)C ZINC000505506655 849745411 /nfs/dbraw/zinc/74/54/11/849745411.db2.gz NMXDCAAFEHOUDB-JOCHJYFZSA-N 2 2 383.511 3.843 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1ccc(Br)cc1OCCCO ZINC000423122028 849748346 /nfs/dbraw/zinc/74/83/46/849748346.db2.gz BVHBSOKXAKSUTR-IAOVAPTHSA-N 2 2 385.346 3.521 20 0 GHADLP C[C@H]([NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1ccc(Br)cc1OCCCO ZINC000423122029 849748550 /nfs/dbraw/zinc/74/85/50/849748550.db2.gz BVHBSOKXAKSUTR-JQFCIGGWSA-N 2 2 385.346 3.521 20 0 GHADLP Cc1cc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)sc1Br ZINC000423230039 849819617 /nfs/dbraw/zinc/81/96/17/849819617.db2.gz IJCRBVVNHXYAKR-GFCCVEGCSA-N 2 2 381.343 3.797 20 0 GHADLP CN(c1ccccc1C[N@@H+]1CCOc2c(F)cccc2C1)C1CC[NH+](C)CC1 ZINC000435037218 850000241 /nfs/dbraw/zinc/00/02/41/850000241.db2.gz XBYSDYIGYJIAEF-UHFFFAOYSA-N 2 2 383.511 3.751 20 0 GHADLP CN(c1ccccc1C[N@H+]1CCOc2c(F)cccc2C1)C1CC[NH+](C)CC1 ZINC000435037218 850000251 /nfs/dbraw/zinc/00/02/51/850000251.db2.gz XBYSDYIGYJIAEF-UHFFFAOYSA-N 2 2 383.511 3.751 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)Nc3ccc4oc(C[NH+]5CCCC5)nc4c3)ccn12 ZINC000908416974 850090554 /nfs/dbraw/zinc/09/05/54/850090554.db2.gz UZVADHIDONVIEF-UHFFFAOYSA-N 2 2 375.432 3.632 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000514716756 850208658 /nfs/dbraw/zinc/20/86/58/850208658.db2.gz HCWMQPCIZZQRMQ-RBUKOAKNSA-N 2 2 383.511 3.724 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000514716756 850208670 /nfs/dbraw/zinc/20/86/70/850208670.db2.gz HCWMQPCIZZQRMQ-RBUKOAKNSA-N 2 2 383.511 3.724 20 0 GHADLP O=C(Nc1ccccc1-n1cc[nH+]c1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000505641324 850267060 /nfs/dbraw/zinc/26/70/60/850267060.db2.gz UZQWIRAIUIDOCZ-GOSISDBHSA-N 2 2 396.441 3.968 20 0 GHADLP O=C(Nc1ccccc1-n1cc[nH+]c1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000505641324 850267070 /nfs/dbraw/zinc/26/70/70/850267070.db2.gz UZQWIRAIUIDOCZ-GOSISDBHSA-N 2 2 396.441 3.968 20 0 GHADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 ZINC000435371344 850438518 /nfs/dbraw/zinc/43/85/18/850438518.db2.gz MFMLDUTXUOEYRR-IBGZPJMESA-N 2 2 384.520 3.714 20 0 GHADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 ZINC000435371344 850438526 /nfs/dbraw/zinc/43/85/26/850438526.db2.gz MFMLDUTXUOEYRR-IBGZPJMESA-N 2 2 384.520 3.714 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[NH+]3CCC([NH2+]CC4CC4)CC3)c2C)cc1 ZINC000435380843 850445322 /nfs/dbraw/zinc/44/53/22/850445322.db2.gz TZLZTEBRMGVLQQ-UHFFFAOYSA-N 2 2 382.552 3.521 20 0 GHADLP CN(c1ccccc1C[N@@H+]1CCOc2ccc(F)cc2C1)C1CC[NH+](C)CC1 ZINC000426523021 850529062 /nfs/dbraw/zinc/52/90/62/850529062.db2.gz LXGDGDIYNAOVDP-UHFFFAOYSA-N 2 2 383.511 3.751 20 0 GHADLP CN(c1ccccc1C[N@H+]1CCOc2ccc(F)cc2C1)C1CC[NH+](C)CC1 ZINC000426523021 850529071 /nfs/dbraw/zinc/52/90/71/850529071.db2.gz LXGDGDIYNAOVDP-UHFFFAOYSA-N 2 2 383.511 3.751 20 0 GHADLP Cc1ncsc1C[N@@H+](Cc1ccc(Oc2cnccn2)cc1)C[C@H]1CC[NH2+]C1 ZINC000435440090 850530207 /nfs/dbraw/zinc/53/02/07/850530207.db2.gz ZGNNXLQCMSMYJS-SFHVURJKSA-N 2 2 395.532 3.646 20 0 GHADLP Cc1ncsc1C[N@H+](Cc1ccc(Oc2cnccn2)cc1)C[C@H]1CC[NH2+]C1 ZINC000435440090 850530219 /nfs/dbraw/zinc/53/02/19/850530219.db2.gz ZGNNXLQCMSMYJS-SFHVURJKSA-N 2 2 395.532 3.646 20 0 GHADLP CC(C)[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@@H+]1C ZINC000515104688 850681073 /nfs/dbraw/zinc/68/10/73/850681073.db2.gz SWCMLQQZYYOXOC-FQEVSTJZSA-N 2 2 381.524 3.690 20 0 GHADLP CC(C)[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@H+]1C ZINC000515104688 850681079 /nfs/dbraw/zinc/68/10/79/850681079.db2.gz SWCMLQQZYYOXOC-FQEVSTJZSA-N 2 2 381.524 3.690 20 0 GHADLP CC[N@H+](Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435623586 850705866 /nfs/dbraw/zinc/70/58/66/850705866.db2.gz HPNAWMFHUZAVQM-FQEVSTJZSA-N 2 2 386.561 3.792 20 0 GHADLP CC[N@@H+](Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435623586 850705869 /nfs/dbraw/zinc/70/58/69/850705869.db2.gz HPNAWMFHUZAVQM-FQEVSTJZSA-N 2 2 386.561 3.792 20 0 GHADLP C[N@H+](CCCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CCCCC1 ZINC000515110858 850708849 /nfs/dbraw/zinc/70/88/49/850708849.db2.gz ACROFSAIOCUFOY-UHFFFAOYSA-N 2 2 393.601 3.905 20 0 GHADLP C[N@@H+](CCCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CCCCC1 ZINC000515110858 850708852 /nfs/dbraw/zinc/70/88/52/850708852.db2.gz ACROFSAIOCUFOY-UHFFFAOYSA-N 2 2 393.601 3.905 20 0 GHADLP O=C(C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1cc(F)ccc1F ZINC000435696871 850776948 /nfs/dbraw/zinc/77/69/48/850776948.db2.gz VTALDUDDZRXMFP-SFHVURJKSA-N 2 2 391.487 3.609 20 0 GHADLP O=C(C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1cc(F)ccc1F ZINC000435696871 850776955 /nfs/dbraw/zinc/77/69/55/850776955.db2.gz VTALDUDDZRXMFP-SFHVURJKSA-N 2 2 391.487 3.609 20 0 GHADLP CC(C)[C@H](CNc1cc[nH+]c2c(Br)cccc12)[NH+]1CCOCC1 ZINC000522627105 862177040 /nfs/dbraw/zinc/17/70/40/862177040.db2.gz NXAOJAYGTRAPEC-KRWDZBQOSA-N 2 2 378.314 3.766 20 0 GHADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)c(OC)c1 ZINC000414844672 851035888 /nfs/dbraw/zinc/03/58/88/851035888.db2.gz LCHHYAXNHNNDSX-UZLBHIALSA-N 2 2 399.535 3.834 20 0 GHADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(OCC(F)F)cc2)cc1 ZINC000414876063 851064290 /nfs/dbraw/zinc/06/42/90/851064290.db2.gz CVOOSNCGEVZECC-UXHICEINSA-N 2 2 376.447 3.574 20 0 GHADLP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513992350 851092712 /nfs/dbraw/zinc/09/27/12/851092712.db2.gz PUANUQPYYXWLOH-NRFANRHFSA-N 2 2 383.923 3.723 20 0 GHADLP C[C@H]([NH2+]Cc1cn2ccc(Br)cc2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000519482980 851119943 /nfs/dbraw/zinc/11/99/43/851119943.db2.gz HUYOGPSEUPRUCY-LSDHHAIUSA-N 2 2 391.357 3.839 20 0 GHADLP C[C@H]([NH2+]Cc1cn2ccc(Br)cc2n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000519482980 851119958 /nfs/dbraw/zinc/11/99/58/851119958.db2.gz HUYOGPSEUPRUCY-LSDHHAIUSA-N 2 2 391.357 3.839 20 0 GHADLP C[NH+](C)Cc1cccc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1 ZINC000436031599 851121744 /nfs/dbraw/zinc/12/17/44/851121744.db2.gz XZZUTSNHTIHMQR-UHFFFAOYSA-N 2 2 396.922 3.941 20 0 GHADLP Cn1c2ccccc2cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000515552401 851164503 /nfs/dbraw/zinc/16/45/03/851164503.db2.gz KORAHOXSIIIMMM-UHFFFAOYSA-N 2 2 375.516 3.635 20 0 GHADLP Cn1c2ccccc2cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000515552401 851164509 /nfs/dbraw/zinc/16/45/09/851164509.db2.gz KORAHOXSIIIMMM-UHFFFAOYSA-N 2 2 375.516 3.635 20 0 GHADLP Cc1nc(COc2ccc(C[NH2+]C[C@@H]([NH3+])c3ccc(C(C)C)cc3)cc2)no1 ZINC000414847993 851323838 /nfs/dbraw/zinc/32/38/38/851323838.db2.gz PHVZFPJZGUAEPZ-OAQYLSRUSA-N 2 2 380.492 3.870 20 0 GHADLP c1ccc([C@@H]2CC[C@H]([NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)C2)cc1 ZINC000436277397 851421169 /nfs/dbraw/zinc/42/11/69/851421169.db2.gz XROGBFKUBBNHIP-GGAORHGYSA-N 2 2 380.532 3.824 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425150488 851500147 /nfs/dbraw/zinc/50/01/47/851500147.db2.gz XZPLTONQNKFHLR-STZQEDGTSA-N 2 2 388.515 3.883 20 0 GHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425150488 851500156 /nfs/dbraw/zinc/50/01/56/851500156.db2.gz XZPLTONQNKFHLR-STZQEDGTSA-N 2 2 388.515 3.883 20 0 GHADLP COc1ccc(C[C@@H](C)[NH2+]CC2([NH+](C)C)Cc3ccccc3C2)c(C)c1OC ZINC000519556572 851707715 /nfs/dbraw/zinc/70/77/15/851707715.db2.gz HRRPOVYCXYIORV-QGZVFWFLSA-N 2 2 382.548 3.632 20 0 GHADLP CC[N@H+](CC(=O)N(CC(C)C)C1CC[NH+](C)CC1)Cc1ccccc1Cl ZINC000550163896 851783979 /nfs/dbraw/zinc/78/39/79/851783979.db2.gz XJKLREQPBDPBLS-UHFFFAOYSA-N 2 2 379.976 3.741 20 0 GHADLP CC[N@@H+](CC(=O)N(CC(C)C)C1CC[NH+](C)CC1)Cc1ccccc1Cl ZINC000550163896 851783987 /nfs/dbraw/zinc/78/39/87/851783987.db2.gz XJKLREQPBDPBLS-UHFFFAOYSA-N 2 2 379.976 3.741 20 0 GHADLP COCc1noc([C@H](C)[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664836988 851875981 /nfs/dbraw/zinc/87/59/81/851875981.db2.gz YNDRXPPAZUTUIY-UWJYYQICSA-N 2 2 398.551 3.900 20 0 GHADLP COCc1noc([C@H](C)[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664836988 851875989 /nfs/dbraw/zinc/87/59/89/851875989.db2.gz YNDRXPPAZUTUIY-UWJYYQICSA-N 2 2 398.551 3.900 20 0 GHADLP OC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001168366248 862308196 /nfs/dbraw/zinc/30/81/96/862308196.db2.gz MIGNQJRJSXBRIL-QGZVFWFLSA-N 2 2 376.850 3.856 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]CCc3ccc(F)c(F)c3)CC2)cc1 ZINC000894728253 852048543 /nfs/dbraw/zinc/04/85/43/852048543.db2.gz FEFJIRSJPUAMFQ-UHFFFAOYSA-N 2 2 387.474 3.720 20 0 GHADLP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000517555872 852093436 /nfs/dbraw/zinc/09/34/36/852093436.db2.gz AOYZTMIDFKGMHZ-NRFANRHFSA-N 2 2 379.504 3.584 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCCC1)c1ccccc1 ZINC000489311917 852211996 /nfs/dbraw/zinc/21/19/96/852211996.db2.gz IQROHRNFELKHKX-GOSISDBHSA-N 2 2 389.503 3.661 20 0 GHADLP Cc1ccc2c(c1)[C@H](NC(=O)NCC1([NH+]3CCCCC3)CC[NH+](C)CC1)CCC2 ZINC000489356782 852264721 /nfs/dbraw/zinc/26/47/21/852264721.db2.gz CAEPCUFIMAOSRR-JOCHJYFZSA-N 2 2 398.595 3.622 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000180803613 862349621 /nfs/dbraw/zinc/34/96/21/862349621.db2.gz XJDJEWPBSYIULJ-UGKGYDQZSA-N 2 2 390.531 3.899 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000180803613 862349638 /nfs/dbraw/zinc/34/96/38/862349638.db2.gz XJDJEWPBSYIULJ-UGKGYDQZSA-N 2 2 390.531 3.899 20 0 GHADLP O=C(NCCCCn1cc[nH+]c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000625565171 862361204 /nfs/dbraw/zinc/36/12/04/862361204.db2.gz VFKCOBXSBHIFQL-XZOQPEGZSA-N 2 2 394.563 3.718 20 0 GHADLP O=C(NCCCCn1cc[nH+]c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000625565171 862361219 /nfs/dbraw/zinc/36/12/19/862361219.db2.gz VFKCOBXSBHIFQL-XZOQPEGZSA-N 2 2 394.563 3.718 20 0 GHADLP CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c2ccccc2C1 ZINC000490142990 852788529 /nfs/dbraw/zinc/78/85/29/852788529.db2.gz LAPASFOEIOOFHS-NRFANRHFSA-N 2 2 378.451 3.595 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c(Cl)c1 ZINC000516760772 852970012 /nfs/dbraw/zinc/97/00/12/852970012.db2.gz NEQMQMWTQBSSLX-HTAPYJJXSA-N 2 2 387.955 3.988 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H]1CCCOC1 ZINC000507507317 852985301 /nfs/dbraw/zinc/98/53/01/852985301.db2.gz ICDCRLQCSJHBSY-ROUUACIJSA-N 2 2 399.501 3.622 20 0 GHADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccncc3OC[C@@H]3CCOC3)CC2)C1 ZINC000490370940 852985907 /nfs/dbraw/zinc/98/59/07/852985907.db2.gz OWRWNLDQZSGLNN-KNKQGSTJSA-N 2 2 387.568 3.630 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCCOC1 ZINC000507507318 852986131 /nfs/dbraw/zinc/98/61/31/852986131.db2.gz ICDCRLQCSJHBSY-ZWKOTPCHSA-N 2 2 399.501 3.622 20 0 GHADLP O=C(C[C@H]1CCC[NH2+]CC1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000427330196 852987572 /nfs/dbraw/zinc/98/75/72/852987572.db2.gz MMWAVIJIIWFNMO-YJBOKZPZSA-N 2 2 381.923 3.512 20 0 GHADLP CC[C@H]1CC[C@H](C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000438940812 853108359 /nfs/dbraw/zinc/10/83/59/853108359.db2.gz CTEXUZJFGHQDKC-LGGPRVQUSA-N 2 2 377.617 3.998 20 0 GHADLP CC[C@H]1CC[C@H](C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000438940812 853108362 /nfs/dbraw/zinc/10/83/62/853108362.db2.gz CTEXUZJFGHQDKC-LGGPRVQUSA-N 2 2 377.617 3.998 20 0 GHADLP CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000439024593 853194681 /nfs/dbraw/zinc/19/46/81/853194681.db2.gz UQVCNCSUQZRCAN-QGZVFWFLSA-N 2 2 381.524 3.692 20 0 GHADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000439024593 853194685 /nfs/dbraw/zinc/19/46/85/853194685.db2.gz UQVCNCSUQZRCAN-QGZVFWFLSA-N 2 2 381.524 3.692 20 0 GHADLP O=C(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)N1CCCc2ccccc21 ZINC000517029448 853279420 /nfs/dbraw/zinc/27/94/20/853279420.db2.gz OOQPNPUABZUQKP-JOCHJYFZSA-N 2 2 389.543 3.753 20 0 GHADLP O=C(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)N1CCCc2ccccc21 ZINC000517029448 853279427 /nfs/dbraw/zinc/27/94/27/853279427.db2.gz OOQPNPUABZUQKP-JOCHJYFZSA-N 2 2 389.543 3.753 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)CC2)cc1 ZINC000518458341 853369379 /nfs/dbraw/zinc/36/93/79/853369379.db2.gz UYBLUODPGUNMSB-UHFFFAOYSA-N 2 2 394.563 3.769 20 0 GHADLP CC(C)c1nc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c2ccccn21 ZINC000519763691 853448282 /nfs/dbraw/zinc/44/82/82/853448282.db2.gz XBRCGRATXANXSD-UHFFFAOYSA-N 2 2 392.547 3.704 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623854633 862471293 /nfs/dbraw/zinc/47/12/93/862471293.db2.gz FTEQQWMBLGWXIP-KRWDZBQOSA-N 2 2 399.560 3.765 20 0 GHADLP CC(C)CCn1nc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c2ccccc21 ZINC000425898062 853525917 /nfs/dbraw/zinc/52/59/17/853525917.db2.gz XQGZLBZJLQTNDD-UHFFFAOYSA-N 2 2 381.524 3.827 20 0 GHADLP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1c(Cl)cccc1Cl ZINC000586764460 853529935 /nfs/dbraw/zinc/52/99/35/853529935.db2.gz YQNOMLBUKYBKFN-CQSZACIVSA-N 2 2 386.367 3.581 20 0 GHADLP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1c(Cl)cccc1Cl ZINC000586764460 853529941 /nfs/dbraw/zinc/52/99/41/853529941.db2.gz YQNOMLBUKYBKFN-CQSZACIVSA-N 2 2 386.367 3.581 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000440823922 853676790 /nfs/dbraw/zinc/67/67/90/853676790.db2.gz HFPWCHWRPPHJLS-VWPQPMDRSA-N 2 2 397.567 3.803 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000440823922 853676795 /nfs/dbraw/zinc/67/67/95/853676795.db2.gz HFPWCHWRPPHJLS-VWPQPMDRSA-N 2 2 397.567 3.803 20 0 GHADLP CCC[NH+](CCC)CCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426401067 853702526 /nfs/dbraw/zinc/70/25/26/853702526.db2.gz MWVSDIQFZXNQEC-FCHUYYIVSA-N 2 2 397.567 3.923 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623890510 862503913 /nfs/dbraw/zinc/50/39/13/862503913.db2.gz OBSYCPWCLQAPNM-UWJYYQICSA-N 2 2 399.560 3.622 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623890510 862503920 /nfs/dbraw/zinc/50/39/20/862503920.db2.gz OBSYCPWCLQAPNM-UWJYYQICSA-N 2 2 399.560 3.622 20 0 GHADLP CCCCCCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732780973 862507687 /nfs/dbraw/zinc/50/76/87/862507687.db2.gz NYABDLHMUJRQOR-FQEVSTJZSA-N 2 2 387.568 3.544 20 0 GHADLP CCCCCCOc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732780973 862507696 /nfs/dbraw/zinc/50/76/96/862507696.db2.gz NYABDLHMUJRQOR-FQEVSTJZSA-N 2 2 387.568 3.544 20 0 GHADLP C[C@@H](OC[C@H](O)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000571633767 853969924 /nfs/dbraw/zinc/96/99/24/853969924.db2.gz CGXALFFHORWGKY-VGOFRKELSA-N 2 2 399.922 3.813 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000441393289 854176399 /nfs/dbraw/zinc/17/63/99/854176399.db2.gz GPABSIFWDVUZEE-SSPYTLHUSA-N 2 2 381.564 3.511 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000441393289 854176403 /nfs/dbraw/zinc/17/64/03/854176403.db2.gz GPABSIFWDVUZEE-SSPYTLHUSA-N 2 2 381.564 3.511 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C2CC2)cc1 ZINC000441393289 854176407 /nfs/dbraw/zinc/17/64/07/854176407.db2.gz GPABSIFWDVUZEE-SSPYTLHUSA-N 2 2 381.564 3.511 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C2CC2)cc1 ZINC000441393289 854176412 /nfs/dbraw/zinc/17/64/12/854176412.db2.gz GPABSIFWDVUZEE-SSPYTLHUSA-N 2 2 381.564 3.511 20 0 GHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441406288 854203216 /nfs/dbraw/zinc/20/32/16/854203216.db2.gz XMTLXROCSOVNRC-GMAHTHKFSA-N 2 2 383.580 3.682 20 0 GHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441406288 854203222 /nfs/dbraw/zinc/20/32/22/854203222.db2.gz XMTLXROCSOVNRC-GMAHTHKFSA-N 2 2 383.580 3.682 20 0 GHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441406288 854203228 /nfs/dbraw/zinc/20/32/28/854203228.db2.gz XMTLXROCSOVNRC-GMAHTHKFSA-N 2 2 383.580 3.682 20 0 GHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441406288 854203232 /nfs/dbraw/zinc/20/32/32/854203232.db2.gz XMTLXROCSOVNRC-GMAHTHKFSA-N 2 2 383.580 3.682 20 0 GHADLP Cc1nc(N2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c2c([nH+]1)CCCC2 ZINC000856534759 881343986 /nfs/dbraw/zinc/34/39/86/881343986.db2.gz BZZREFMBWQUPQE-FQEVSTJZSA-N 2 2 395.551 3.557 20 0 GHADLP Cc1nc(N2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c2c([nH+]1)CCCC2 ZINC000856534759 881344007 /nfs/dbraw/zinc/34/40/07/881344007.db2.gz BZZREFMBWQUPQE-FQEVSTJZSA-N 2 2 395.551 3.557 20 0 GHADLP C[N@@H+](Cc1cc(Br)ccc1OC(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000112657969 854285197 /nfs/dbraw/zinc/28/51/97/854285197.db2.gz BPJQADKNUPMUHD-GFCCVEGCSA-N 2 2 377.273 3.824 20 0 GHADLP C[N@H+](Cc1cc(Br)ccc1OC(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000112657969 854285203 /nfs/dbraw/zinc/28/52/03/854285203.db2.gz BPJQADKNUPMUHD-GFCCVEGCSA-N 2 2 377.273 3.824 20 0 GHADLP C[NH+](Cc1cc(Br)ccc1OC(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000112657969 854285209 /nfs/dbraw/zinc/28/52/09/854285209.db2.gz BPJQADKNUPMUHD-GFCCVEGCSA-N 2 2 377.273 3.824 20 0 GHADLP C[NH+](Cc1cc(Br)ccc1OC(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000112657969 854285211 /nfs/dbraw/zinc/28/52/11/854285211.db2.gz BPJQADKNUPMUHD-GFCCVEGCSA-N 2 2 377.273 3.824 20 0 GHADLP Cc1cc2cc([C@@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)oc2cc1C ZINC000671768801 854596369 /nfs/dbraw/zinc/59/63/69/854596369.db2.gz AQLLHBIKQYDGAH-VOBGVNJCSA-N 2 2 383.536 3.784 20 0 GHADLP Cc1cc2cc([C@@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)oc2cc1C ZINC000671768801 854596372 /nfs/dbraw/zinc/59/63/72/854596372.db2.gz AQLLHBIKQYDGAH-VOBGVNJCSA-N 2 2 383.536 3.784 20 0 GHADLP C[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000604884693 862599518 /nfs/dbraw/zinc/59/95/18/862599518.db2.gz DDXIURGOBWHLHC-FGZHOGPDSA-N 2 2 378.564 3.719 20 0 GHADLP C[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000604884693 862599524 /nfs/dbraw/zinc/59/95/24/862599524.db2.gz DDXIURGOBWHLHC-FGZHOGPDSA-N 2 2 378.564 3.719 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2ccccc2c1OC(F)F ZINC000765792157 854825027 /nfs/dbraw/zinc/82/50/27/854825027.db2.gz ODZIGBGUWIGCDB-XIRDDKMYSA-N 2 2 376.447 3.955 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc2ccccc2c1OC(F)F ZINC000765792157 854825030 /nfs/dbraw/zinc/82/50/30/854825030.db2.gz ODZIGBGUWIGCDB-XIRDDKMYSA-N 2 2 376.447 3.955 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000623643352 855029093 /nfs/dbraw/zinc/02/90/93/855029093.db2.gz VKPAGUOEPXHSNI-QHCPKHFHSA-N 2 2 386.499 3.635 20 0 GHADLP COc1cccc2c1CC[C@@H](Nc1ccc(N3CCC([NH+](C)C)CC3)c[nH+]1)C2 ZINC000426016801 855121581 /nfs/dbraw/zinc/12/15/81/855121581.db2.gz KPSKTDVHHPWNIM-GOSISDBHSA-N 2 2 380.536 3.590 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c(C)c1 ZINC000441499146 855478985 /nfs/dbraw/zinc/47/89/85/855478985.db2.gz GTJMIZAXKHUULR-RBBKRZOGSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c(C)c1 ZINC000441499146 855478990 /nfs/dbraw/zinc/47/89/90/855478990.db2.gz GTJMIZAXKHUULR-RBBKRZOGSA-N 2 2 397.567 3.661 20 0 GHADLP CCC[NH+]1CCC(CNC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000441511370 855543363 /nfs/dbraw/zinc/54/33/63/855543363.db2.gz MRRGPGNQKMMEPW-QFIPXVFZSA-N 2 2 397.567 3.662 20 0 GHADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)CC1 ZINC000590786638 855585842 /nfs/dbraw/zinc/58/58/42/855585842.db2.gz KMZYDGFYNGOTTQ-UHFFFAOYSA-N 2 2 396.457 3.906 20 0 GHADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)CC1 ZINC000590786638 855585844 /nfs/dbraw/zinc/58/58/44/855585844.db2.gz KMZYDGFYNGOTTQ-UHFFFAOYSA-N 2 2 396.457 3.906 20 0 GHADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000061003044 855708144 /nfs/dbraw/zinc/70/81/44/855708144.db2.gz XAKOFLADOKCKCD-UHFFFAOYSA-N 2 2 378.307 3.923 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000591076608 855748006 /nfs/dbraw/zinc/74/80/06/855748006.db2.gz RFDAUKOXPLFCKF-QFIPXVFZSA-N 2 2 381.520 3.540 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000591450383 855994522 /nfs/dbraw/zinc/99/45/22/855994522.db2.gz GUVATQMMYKOGDG-GOSISDBHSA-N 2 2 396.535 3.683 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000591450383 855994527 /nfs/dbraw/zinc/99/45/27/855994527.db2.gz GUVATQMMYKOGDG-GOSISDBHSA-N 2 2 396.535 3.683 20 0 GHADLP COc1ccc(Br)cc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000030651712 856120305 /nfs/dbraw/zinc/12/03/05/856120305.db2.gz WYWPCGOUOWXRHB-UHFFFAOYSA-N 2 2 386.293 3.992 20 0 GHADLP C[C@@H](CC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC000573806308 856490160 /nfs/dbraw/zinc/49/01/60/856490160.db2.gz BJYMKHZEESAGHS-CVDCTZTESA-N 2 2 394.563 3.983 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000186488799 856498099 /nfs/dbraw/zinc/49/80/99/856498099.db2.gz IDICROURXRWAFH-MOPGFXCFSA-N 2 2 375.875 3.503 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000186488799 856498101 /nfs/dbraw/zinc/49/81/01/856498101.db2.gz IDICROURXRWAFH-MOPGFXCFSA-N 2 2 375.875 3.503 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCCCC[NH+]2CCCCC2)c1C ZINC000172607953 856500746 /nfs/dbraw/zinc/50/07/46/856500746.db2.gz XMHJWITYZGURPI-UHFFFAOYSA-N 2 2 376.545 3.505 20 0 GHADLP CN1C(=O)C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000507834200 856545618 /nfs/dbraw/zinc/54/56/18/856545618.db2.gz PUWDAWXMSCRGJE-CTNGQTDRSA-N 2 2 380.879 3.587 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000658121533 856694927 /nfs/dbraw/zinc/69/49/27/856694927.db2.gz AZIOJTDVLUMVKW-ATZDWAIDSA-N 2 2 385.474 3.772 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000658121533 856694937 /nfs/dbraw/zinc/69/49/37/856694937.db2.gz AZIOJTDVLUMVKW-ATZDWAIDSA-N 2 2 385.474 3.772 20 0 GHADLP CCCCNc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000485532497 856706575 /nfs/dbraw/zinc/70/65/75/856706575.db2.gz MPXRAZMNNQBHME-UHFFFAOYSA-N 2 2 386.584 3.579 20 0 GHADLP C[C@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000592395361 856804346 /nfs/dbraw/zinc/80/43/46/856804346.db2.gz WRNJPOKSNQIPTP-KRWDZBQOSA-N 2 2 385.508 3.661 20 0 GHADLP COCCOc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1OC ZINC000665250137 856875127 /nfs/dbraw/zinc/87/51/27/856875127.db2.gz IWSWOMWKOATDDF-DUXKGJEZSA-N 2 2 384.520 3.517 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000665250415 856956249 /nfs/dbraw/zinc/95/62/49/856956249.db2.gz QDSZHPCSZQHSOR-NPFVIJTESA-N 2 2 378.520 3.767 20 0 GHADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000665257081 857126429 /nfs/dbraw/zinc/12/64/29/857126429.db2.gz ZAUQPIDXTHYAJS-ODOSVJCGSA-N 2 2 395.547 3.710 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC000057274104 857179368 /nfs/dbraw/zinc/17/93/68/857179368.db2.gz CSULSTGIHZOJHY-UHFFFAOYSA-N 2 2 394.563 3.528 20 0 GHADLP CCOc1ccc([C@@H](CC)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1OCC ZINC000658293088 857253645 /nfs/dbraw/zinc/25/36/45/857253645.db2.gz CVYILJPZFWEDTR-VQTJNVASSA-N 2 2 376.541 3.778 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000675605128 857518084 /nfs/dbraw/zinc/51/80/84/857518084.db2.gz HTMNHRIQOUUVJP-GOSISDBHSA-N 2 2 392.503 3.518 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000675605128 857518095 /nfs/dbraw/zinc/51/80/95/857518095.db2.gz HTMNHRIQOUUVJP-GOSISDBHSA-N 2 2 392.503 3.518 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000442247788 857652846 /nfs/dbraw/zinc/65/28/46/857652846.db2.gz FIVLTZVLQUZOGV-UNMCSNQZSA-N 2 2 397.567 3.757 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c(C)c1 ZINC000442247788 857652851 /nfs/dbraw/zinc/65/28/51/857652851.db2.gz FIVLTZVLQUZOGV-UNMCSNQZSA-N 2 2 397.567 3.757 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC(CC[NH+](C)C)CC2)c(C)c1 ZINC000442251942 857655839 /nfs/dbraw/zinc/65/58/39/857655839.db2.gz RPEYPRZLFOZWGO-JOCHJYFZSA-N 2 2 397.567 3.615 20 0 GHADLP CC(C)C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1 ZINC000521189560 857711770 /nfs/dbraw/zinc/71/17/70/857711770.db2.gz IAEAPKWMXBQQIX-UHFFFAOYSA-N 2 2 395.547 3.616 20 0 GHADLP CC(C)C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1 ZINC000521189560 857711774 /nfs/dbraw/zinc/71/17/74/857711774.db2.gz IAEAPKWMXBQQIX-UHFFFAOYSA-N 2 2 395.547 3.616 20 0 GHADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000574463424 857865052 /nfs/dbraw/zinc/86/50/52/857865052.db2.gz WFRIJPBXYZOMSJ-QGZVFWFLSA-N 2 2 375.476 3.545 20 0 GHADLP C[NH+]1CCC([N@H+](CCO)Cc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000676414545 857872661 /nfs/dbraw/zinc/87/26/61/857872661.db2.gz XVZAENSGPJBMMG-UHFFFAOYSA-N 2 2 377.532 3.578 20 0 GHADLP C[NH+]1CCC([N@@H+](CCO)Cc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000676414545 857872664 /nfs/dbraw/zinc/87/26/64/857872664.db2.gz XVZAENSGPJBMMG-UHFFFAOYSA-N 2 2 377.532 3.578 20 0 GHADLP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543039572 858030700 /nfs/dbraw/zinc/03/07/00/858030700.db2.gz PCQUKYIISRFEMO-FQEVSTJZSA-N 2 2 389.588 3.597 20 0 GHADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543039572 858030707 /nfs/dbraw/zinc/03/07/07/858030707.db2.gz PCQUKYIISRFEMO-FQEVSTJZSA-N 2 2 389.588 3.597 20 0 GHADLP C[N@H+](CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442769179 858128365 /nfs/dbraw/zinc/12/83/65/858128365.db2.gz NBMVGEJTAMJVRH-FANLQWHUSA-N 2 2 397.950 3.760 20 0 GHADLP C[N@@H+](CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442769179 858128369 /nfs/dbraw/zinc/12/83/69/858128369.db2.gz NBMVGEJTAMJVRH-FANLQWHUSA-N 2 2 397.950 3.760 20 0 GHADLP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000521590470 858153344 /nfs/dbraw/zinc/15/33/44/858153344.db2.gz ATZOMKLIXARUPM-WQTXXOFMSA-N 2 2 389.503 3.631 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3Cc4[nH]c5ccccc5c4C3)[nH+]c2)CC1 ZINC000442829402 858168461 /nfs/dbraw/zinc/16/84/61/858168461.db2.gz UTFCJITWCMBNNZ-MRXNPFEDSA-N 2 2 375.520 3.673 20 0 GHADLP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1I)Cn1cc[nH+]c1 ZINC000594917735 858304113 /nfs/dbraw/zinc/30/41/13/858304113.db2.gz MSRFKNZSQSXCKH-NSHDSACASA-N 2 2 389.668 3.567 20 0 GHADLP COc1ccccc1/C=C\C[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000521818955 858353960 /nfs/dbraw/zinc/35/39/60/858353960.db2.gz ISOXGVLWWHAJRU-POHAHGRESA-N 2 2 379.548 3.819 20 0 GHADLP C[NH+]1CCC(CNC(=O)N(CC2CC2)C2CCCCC2)([NH+]2CCCCC2)CC1 ZINC000466153063 858503633 /nfs/dbraw/zinc/50/36/33/858503633.db2.gz GZDYFGBQQOKNMU-UHFFFAOYSA-N 2 2 390.616 3.691 20 0 GHADLP Cc1c(F)cccc1-c1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)o1 ZINC000115614282 858587858 /nfs/dbraw/zinc/58/78/58/858587858.db2.gz ZIJIQFOCTHWUGR-UHFFFAOYSA-N 2 2 394.494 3.831 20 0 GHADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000595639104 858625948 /nfs/dbraw/zinc/62/59/48/858625948.db2.gz MPYDYVUHVLVLMF-HXUWFJFHSA-N 2 2 387.572 3.526 20 0 GHADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000595639104 858625953 /nfs/dbraw/zinc/62/59/53/858625953.db2.gz MPYDYVUHVLVLMF-HXUWFJFHSA-N 2 2 387.572 3.526 20 0 GHADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)C1 ZINC000522147575 858670241 /nfs/dbraw/zinc/67/02/41/858670241.db2.gz QEFUXZXUBUQVTO-SIKLNZKXSA-N 2 2 397.950 3.525 20 0 GHADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)C1 ZINC000522147575 858670245 /nfs/dbraw/zinc/67/02/45/858670245.db2.gz QEFUXZXUBUQVTO-SIKLNZKXSA-N 2 2 397.950 3.525 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(Cl)c(Cl)c1Cl ZINC000482638806 858712680 /nfs/dbraw/zinc/71/26/80/858712680.db2.gz CCRKTBSQYNHZFD-ZWNOBZJWSA-N 2 2 378.731 3.637 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(Cl)c(Cl)c1Cl ZINC000482638806 858712687 /nfs/dbraw/zinc/71/26/87/858712687.db2.gz CCRKTBSQYNHZFD-ZWNOBZJWSA-N 2 2 378.731 3.637 20 0 GHADLP CC(C)(C)OC(=O)[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCC1 ZINC000596063565 858768596 /nfs/dbraw/zinc/76/85/96/858768596.db2.gz NVGGPNKYBDVMSO-MRXNPFEDSA-N 2 2 378.479 3.751 20 0 GHADLP Clc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCCCO2 ZINC000676712932 858774382 /nfs/dbraw/zinc/77/43/82/858774382.db2.gz UBWZMWNSTMLHED-QFBILLFUSA-N 2 2 376.928 3.950 20 0 GHADLP Clc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCCCO2 ZINC000676712932 858774383 /nfs/dbraw/zinc/77/43/83/858774383.db2.gz UBWZMWNSTMLHED-QFBILLFUSA-N 2 2 376.928 3.950 20 0 GHADLP Clc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCCCO2 ZINC000676712932 858774386 /nfs/dbraw/zinc/77/43/86/858774386.db2.gz UBWZMWNSTMLHED-QFBILLFUSA-N 2 2 376.928 3.950 20 0 GHADLP Clc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc2c1OCCCO2 ZINC000676712932 858774389 /nfs/dbraw/zinc/77/43/89/858774389.db2.gz UBWZMWNSTMLHED-QFBILLFUSA-N 2 2 376.928 3.950 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]Cc3ccnc4ccccc34)CC2)cc1 ZINC000596245096 858828338 /nfs/dbraw/zinc/82/83/38/858828338.db2.gz PQIYWZWMWYDRBR-UHFFFAOYSA-N 2 2 388.559 3.922 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000482795529 858869319 /nfs/dbraw/zinc/86/93/19/858869319.db2.gz ZFLVHHYNXDMOIF-SUMWQHHRSA-N 2 2 377.330 3.516 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000482795529 858869331 /nfs/dbraw/zinc/86/93/31/858869331.db2.gz ZFLVHHYNXDMOIF-SUMWQHHRSA-N 2 2 377.330 3.516 20 0 GHADLP CCC(CC)[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC(C)C ZINC000482856754 858920048 /nfs/dbraw/zinc/92/00/48/858920048.db2.gz MSOJZBZXHNDOKW-UHFFFAOYSA-N 2 2 375.557 3.604 20 0 GHADLP CCC(CC)[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC(C)C ZINC000482856754 858920054 /nfs/dbraw/zinc/92/00/54/858920054.db2.gz MSOJZBZXHNDOKW-UHFFFAOYSA-N 2 2 375.557 3.604 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000443547756 858927369 /nfs/dbraw/zinc/92/73/69/858927369.db2.gz DFLSOQHODYBADL-WAGURGNTSA-N 2 2 392.632 3.934 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000443547756 858927384 /nfs/dbraw/zinc/92/73/84/858927384.db2.gz DFLSOQHODYBADL-WAGURGNTSA-N 2 2 392.632 3.934 20 0 GHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cnn3c2CCC3)cc1 ZINC000668154962 858961112 /nfs/dbraw/zinc/96/11/12/858961112.db2.gz AFUVNJPQEOAKSB-UHFFFAOYSA-N 2 2 379.508 3.517 20 0 GHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cnn3c2CCC3)cc1 ZINC000668154962 858961122 /nfs/dbraw/zinc/96/11/22/858961122.db2.gz AFUVNJPQEOAKSB-UHFFFAOYSA-N 2 2 379.508 3.517 20 0 GHADLP Fc1cccc(F)c1-c1csc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000185187839 859053355 /nfs/dbraw/zinc/05/33/55/859053355.db2.gz UXRYWBRZXBXDCC-UHFFFAOYSA-N 2 2 393.503 3.633 20 0 GHADLP COC(=O)c1cc2[nH+]c[nH]c2c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001170333846 881378442 /nfs/dbraw/zinc/37/84/42/881378442.db2.gz VXPCYCUURNTQMO-LDLYASANSA-N 2 2 390.487 3.957 20 0 GHADLP COC(=O)c1cc2[nH+]c[nH]c2c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001170333846 881378499 /nfs/dbraw/zinc/37/84/99/881378499.db2.gz VXPCYCUURNTQMO-LDLYASANSA-N 2 2 390.487 3.957 20 0 GHADLP CN(C(=O)CCc1ccc(-c2ccccc2)o1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476940 859288480 /nfs/dbraw/zinc/28/84/80/859288480.db2.gz CZQKDEKEGYYJBE-NRFANRHFSA-N 2 2 395.547 3.506 20 0 GHADLP CN(C(=O)CCc1ccc(-c2ccccc2)o1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476940 859288490 /nfs/dbraw/zinc/28/84/90/859288490.db2.gz CZQKDEKEGYYJBE-NRFANRHFSA-N 2 2 395.547 3.506 20 0 GHADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)oc1C ZINC000597229674 859363239 /nfs/dbraw/zinc/36/32/39/859363239.db2.gz JATDRJWBKMPIMI-LJQANCHMSA-N 2 2 382.504 3.767 20 0 GHADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)oc1C ZINC000597229674 859363245 /nfs/dbraw/zinc/36/32/45/859363245.db2.gz JATDRJWBKMPIMI-LJQANCHMSA-N 2 2 382.504 3.767 20 0 GHADLP COC(=O)c1sc2cccc(F)c2c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000483480881 859403545 /nfs/dbraw/zinc/40/35/45/859403545.db2.gz XLELPPWIMNQDNT-CJNGLKHVSA-N 2 2 376.497 3.743 20 0 GHADLP COC(=O)c1sc2cccc(F)c2c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000483480881 859403552 /nfs/dbraw/zinc/40/35/52/859403552.db2.gz XLELPPWIMNQDNT-CJNGLKHVSA-N 2 2 376.497 3.743 20 0 GHADLP COC(=O)c1sc2cccc(F)c2c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000483480881 859403564 /nfs/dbraw/zinc/40/35/64/859403564.db2.gz XLELPPWIMNQDNT-CJNGLKHVSA-N 2 2 376.497 3.743 20 0 GHADLP COC(=O)c1sc2cccc(F)c2c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000483480881 859403567 /nfs/dbraw/zinc/40/35/67/859403567.db2.gz XLELPPWIMNQDNT-CJNGLKHVSA-N 2 2 376.497 3.743 20 0 GHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671762684 859476804 /nfs/dbraw/zinc/47/68/04/859476804.db2.gz CFVJVQMSHCCMEH-VCANKDNSSA-N 2 2 383.414 3.989 20 0 GHADLP Cc1cc([C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c2cccnc2)ccc1F ZINC000543425069 859673569 /nfs/dbraw/zinc/67/35/69/859673569.db2.gz MOUKRRDZNDDQMF-HJOGWXRNSA-N 2 2 397.538 3.976 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1ccco1 ZINC000474300315 859779940 /nfs/dbraw/zinc/77/99/40/859779940.db2.gz AVXCPDNRXOMLKW-UXHICEINSA-N 2 2 387.499 3.582 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1ccco1 ZINC000474300315 859779945 /nfs/dbraw/zinc/77/99/45/859779945.db2.gz AVXCPDNRXOMLKW-UXHICEINSA-N 2 2 387.499 3.582 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3ncc4cc(OCc5ccccc5)ccc43)CC[C@H]21 ZINC000765107409 859793729 /nfs/dbraw/zinc/79/37/29/859793729.db2.gz SUZJVQFDAWBNAV-NFBKMPQASA-N 2 2 390.531 3.989 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ncc4cc(OCc5ccccc5)ccc43)CC[C@H]21 ZINC000765107409 859793740 /nfs/dbraw/zinc/79/37/40/859793740.db2.gz SUZJVQFDAWBNAV-NFBKMPQASA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ncc4cc(OCc5ccccc5)ccc43)CC[C@H]21 ZINC000765107409 859793750 /nfs/dbraw/zinc/79/37/50/859793750.db2.gz SUZJVQFDAWBNAV-NFBKMPQASA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ncc4cc(OCc5ccccc5)ccc43)CC[C@H]21 ZINC000765107409 859793759 /nfs/dbraw/zinc/79/37/59/859793759.db2.gz SUZJVQFDAWBNAV-NFBKMPQASA-N 2 2 390.531 3.989 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000484144519 859830385 /nfs/dbraw/zinc/83/03/85/859830385.db2.gz WCPDEAAZSSDSQN-JXFKEZNVSA-N 2 2 394.437 3.873 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000484144519 859830392 /nfs/dbraw/zinc/83/03/92/859830392.db2.gz WCPDEAAZSSDSQN-JXFKEZNVSA-N 2 2 394.437 3.873 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000484144520 859830804 /nfs/dbraw/zinc/83/08/04/859830804.db2.gz WCPDEAAZSSDSQN-OXJNMPFZSA-N 2 2 394.437 3.873 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000484144520 859830809 /nfs/dbraw/zinc/83/08/09/859830809.db2.gz WCPDEAAZSSDSQN-OXJNMPFZSA-N 2 2 394.437 3.873 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1CO)CCC2 ZINC000484152147 859839718 /nfs/dbraw/zinc/83/97/18/859839718.db2.gz OVNUWXJJFQCVRA-NKKJXINNSA-N 2 2 380.532 3.545 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1CO)CCC2 ZINC000484152147 859839731 /nfs/dbraw/zinc/83/97/31/859839731.db2.gz OVNUWXJJFQCVRA-NKKJXINNSA-N 2 2 380.532 3.545 20 0 GHADLP CCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1OCC ZINC000484132404 859840729 /nfs/dbraw/zinc/84/07/29/859840729.db2.gz OKPYGVYPLBNIKU-CYFREDJKSA-N 2 2 398.547 3.772 20 0 GHADLP CCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1OCC ZINC000484132404 859840742 /nfs/dbraw/zinc/84/07/42/859840742.db2.gz OKPYGVYPLBNIKU-CYFREDJKSA-N 2 2 398.547 3.772 20 0 GHADLP O[C@]1(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484182680 859868904 /nfs/dbraw/zinc/86/89/04/859868904.db2.gz XXRZJORUUNXHMZ-GMAHTHKFSA-N 2 2 378.516 3.660 20 0 GHADLP O[C@]1(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484182680 859868916 /nfs/dbraw/zinc/86/89/16/859868916.db2.gz XXRZJORUUNXHMZ-GMAHTHKFSA-N 2 2 378.516 3.660 20 0 GHADLP CC[NH+](CC)[C@H](CN[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccco1 ZINC000765441494 859976420 /nfs/dbraw/zinc/97/64/20/859976420.db2.gz LTFHNLBEKPIZKW-KJXAQDMKSA-N 2 2 385.552 3.542 20 0 GHADLP CC[NH+](CC)[C@H](CN[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccco1 ZINC000765441494 859976433 /nfs/dbraw/zinc/97/64/33/859976433.db2.gz LTFHNLBEKPIZKW-KJXAQDMKSA-N 2 2 385.552 3.542 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@@H]32)cc1 ZINC000765544013 860120539 /nfs/dbraw/zinc/12/05/39/860120539.db2.gz DMFOHORQWQEXKH-RTWAWAEBSA-N 2 2 377.536 3.568 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@@H]32)cc1 ZINC000765544013 860120547 /nfs/dbraw/zinc/12/05/47/860120547.db2.gz DMFOHORQWQEXKH-RTWAWAEBSA-N 2 2 377.536 3.568 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000765681178 860392717 /nfs/dbraw/zinc/39/27/17/860392717.db2.gz HEGLSUAXTRMAID-QMMLZNLJSA-N 2 2 392.465 3.937 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000765681178 860392726 /nfs/dbraw/zinc/39/27/26/860392726.db2.gz HEGLSUAXTRMAID-QMMLZNLJSA-N 2 2 392.465 3.937 20 0 GHADLP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000603002061 860414374 /nfs/dbraw/zinc/41/43/74/860414374.db2.gz FWTBWMWXYPIOCN-QFIPXVFZSA-N 2 2 395.551 3.806 20 0 GHADLP c1ccc(OC[C@H]2CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000508991123 860456968 /nfs/dbraw/zinc/45/69/68/860456968.db2.gz MRJBZWULAOEYOG-QFIPXVFZSA-N 2 2 379.548 3.600 20 0 GHADLP c1ccc(OC[C@H]2CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000508991123 860456981 /nfs/dbraw/zinc/45/69/81/860456981.db2.gz MRJBZWULAOEYOG-QFIPXVFZSA-N 2 2 379.548 3.600 20 0 GHADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000474609382 860491682 /nfs/dbraw/zinc/49/16/82/860491682.db2.gz XPVYGGSMDQHFJT-VQTJNVASSA-N 2 2 398.547 3.688 20 0 GHADLP c1ccc([C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]2CCOC2)cc1 ZINC000509030724 860620741 /nfs/dbraw/zinc/62/07/41/860620741.db2.gz JSXQEDMIWCAMIX-VWNXMTODSA-N 2 2 379.548 3.566 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1-n1cccn1 ZINC000481312417 861013376 /nfs/dbraw/zinc/01/33/76/861013376.db2.gz IHRDXURNCSIURY-LJQANCHMSA-N 2 2 376.504 3.555 20 0 GHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cnc(C(F)(F)F)s3)c2)CCO1 ZINC000443985790 863084224 /nfs/dbraw/zinc/08/42/24/863084224.db2.gz ZKDJPBJTJNFULR-ZDUSSCGKSA-N 2 2 385.455 3.672 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(C(F)(F)F)s3)c2)CCO1 ZINC000443985790 863084235 /nfs/dbraw/zinc/08/42/35/863084235.db2.gz ZKDJPBJTJNFULR-ZDUSSCGKSA-N 2 2 385.455 3.672 20 0 GHADLP COc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c(OCc2cccnc2)c1 ZINC000443995670 863103581 /nfs/dbraw/zinc/10/35/81/863103581.db2.gz OGISKYLQRCYQGS-HXUWFJFHSA-N 2 2 392.503 3.841 20 0 GHADLP CC[NH+](CC)Cc1cccc(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)c1 ZINC000444065870 863263948 /nfs/dbraw/zinc/26/39/48/863263948.db2.gz STGUJFIKDQXVOD-UHFFFAOYSA-N 2 2 398.532 3.574 20 0 GHADLP COc1cc(NC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc(OC)c1 ZINC000177371080 863326106 /nfs/dbraw/zinc/32/61/06/863326106.db2.gz UISSWTYIGXGQGH-UHFFFAOYSA-N 2 2 392.503 3.966 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C(=O)N1c1ccccc1 ZINC000499228363 881656277 /nfs/dbraw/zinc/65/62/77/881656277.db2.gz LLYRXRWSYYROBC-MDGFQDEPSA-N 2 2 389.543 3.966 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C(=O)N1c1ccccc1 ZINC000499228363 881656287 /nfs/dbraw/zinc/65/62/87/881656287.db2.gz LLYRXRWSYYROBC-MDGFQDEPSA-N 2 2 389.543 3.966 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)o1 ZINC000606237395 863506922 /nfs/dbraw/zinc/50/69/22/863506922.db2.gz IUIWTKLKMNEWLP-UHFFFAOYSA-N 2 2 385.508 3.514 20 0 GHADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000183279812 863526918 /nfs/dbraw/zinc/52/69/18/863526918.db2.gz YBNOZLCBBKLGRA-GOSISDBHSA-N 2 2 382.504 3.554 20 0 GHADLP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000621641164 864345964 /nfs/dbraw/zinc/34/59/64/864345964.db2.gz BMEHGPHLHNURDX-YJBOKZPZSA-N 2 2 381.923 3.512 20 0 GHADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H]1Oc1ccccc1 ZINC000480274429 864384647 /nfs/dbraw/zinc/38/46/47/864384647.db2.gz NTDKVAMYBCBPRS-CEMLEFRQSA-N 2 2 381.451 3.726 20 0 GHADLP CC(=O)N1CC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c2ccccc21 ZINC000621761364 864409554 /nfs/dbraw/zinc/40/95/54/864409554.db2.gz CQYNSZCMCOEIIF-TVPLGVNVSA-N 2 2 395.469 3.879 20 0 GHADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000163569659 864536466 /nfs/dbraw/zinc/53/64/66/864536466.db2.gz YINQZLLLMUIVSN-GBXCKJPGSA-N 3 2 380.580 3.924 20 0 GHADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000163569659 864536477 /nfs/dbraw/zinc/53/64/77/864536477.db2.gz YINQZLLLMUIVSN-GBXCKJPGSA-N 3 2 380.580 3.924 20 0 GHADLP CCCOc1c(Br)cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1OC ZINC000067500899 864612828 /nfs/dbraw/zinc/61/28/28/864612828.db2.gz KBGOIILSMACBLA-AWEZNQCLSA-N 2 2 396.329 3.869 20 0 GHADLP Cc1ccc([C@@H](CN2CCOCC2)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000480482038 864707660 /nfs/dbraw/zinc/70/76/60/864707660.db2.gz ZMTCHMHRGISNNK-HYBUGGRVSA-N 2 2 390.531 3.905 20 0 GHADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3occc3Br)cc2)C[C@H](C)O1 ZINC000735321188 864723134 /nfs/dbraw/zinc/72/31/34/864723134.db2.gz YOWOHODYZNWSJX-GJZGRUSLSA-N 2 2 393.325 3.941 20 0 GHADLP C[C@H](CC(F)(F)C[NH3+])c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001211895658 864753674 /nfs/dbraw/zinc/75/36/74/864753674.db2.gz JKRQFUFMFXWZOQ-BDJLRTHQSA-N 2 2 391.397 3.695 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000554720665 864791856 /nfs/dbraw/zinc/79/18/56/864791856.db2.gz UGCVIOXCQULQOZ-SIKLNZKXSA-N 2 2 388.515 3.757 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000480558792 864860548 /nfs/dbraw/zinc/86/05/48/864860548.db2.gz SSWGUHXRFKZYLM-URXFXBBRSA-N 3 2 388.559 3.974 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000480558792 864860563 /nfs/dbraw/zinc/86/05/63/864860563.db2.gz SSWGUHXRFKZYLM-URXFXBBRSA-N 3 2 388.559 3.974 20 0 GHADLP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)cc2)CC1 ZINC000608009924 864912430 /nfs/dbraw/zinc/91/24/30/864912430.db2.gz BMAVEEGVJRVTTQ-QHCPKHFHSA-N 2 2 392.547 3.917 20 0 GHADLP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)cc2)CC1 ZINC000608009924 864912436 /nfs/dbraw/zinc/91/24/36/864912436.db2.gz BMAVEEGVJRVTTQ-QHCPKHFHSA-N 2 2 392.547 3.917 20 0 GHADLP C[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)N1CCN(c2ccccc2)CC1 ZINC000480617005 864954194 /nfs/dbraw/zinc/95/41/94/864954194.db2.gz NJOXGBLXXXNABH-NHCUHLMSSA-N 2 2 389.547 3.734 20 0 GHADLP CC[NH+]1CCN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)CC1 ZINC000301070160 865135166 /nfs/dbraw/zinc/13/51/66/865135166.db2.gz BQWJJXLSUKZMCF-UHFFFAOYSA-N 2 2 381.549 3.562 20 0 GHADLP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000171199899 865174348 /nfs/dbraw/zinc/17/43/48/865174348.db2.gz BMTYPSUBUPRFSX-GOSISDBHSA-N 2 2 396.579 3.853 20 0 GHADLP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000171199899 865174356 /nfs/dbraw/zinc/17/43/56/865174356.db2.gz BMTYPSUBUPRFSX-GOSISDBHSA-N 2 2 396.579 3.853 20 0 GHADLP Brc1ccc2[nH+]ccc(N3CC[NH+](Cc4cccnc4)CC3)c2c1 ZINC000301132994 865179542 /nfs/dbraw/zinc/17/95/42/865179542.db2.gz UVTDUBIQMZPPJU-UHFFFAOYSA-N 2 2 383.293 3.715 20 0 GHADLP CC1CC[NH+](CCCCNC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000608408214 865288860 /nfs/dbraw/zinc/28/88/60/865288860.db2.gz FMBOTESMNQOVNI-NRFANRHFSA-N 2 2 397.567 3.515 20 0 GHADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000899120130 865326954 /nfs/dbraw/zinc/32/69/54/865326954.db2.gz DZQBKHNQCYSKRM-IYARVYRRSA-N 2 2 382.508 3.814 20 0 GHADLP CC[N@H+](CCOCc1ccc(OC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000608510574 865394607 /nfs/dbraw/zinc/39/46/07/865394607.db2.gz CECCGHJXZSIEMW-UHFFFAOYSA-N 2 2 383.536 3.845 20 0 GHADLP CC[N@@H+](CCOCc1ccc(OC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000608510574 865394625 /nfs/dbraw/zinc/39/46/25/865394625.db2.gz CECCGHJXZSIEMW-UHFFFAOYSA-N 2 2 383.536 3.845 20 0 GHADLP CC[N@@H+](Cc1csc(-c2cnn(C)c2)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000608511928 865395647 /nfs/dbraw/zinc/39/56/47/865395647.db2.gz RLZODQZCDZYKIO-UHFFFAOYSA-N 2 2 396.564 3.677 20 0 GHADLP CC[N@H+](Cc1csc(-c2cnn(C)c2)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000608511928 865395662 /nfs/dbraw/zinc/39/56/62/865395662.db2.gz RLZODQZCDZYKIO-UHFFFAOYSA-N 2 2 396.564 3.677 20 0 GHADLP CCCCCC[N@H+](C)CC(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000737870472 865449875 /nfs/dbraw/zinc/44/98/75/865449875.db2.gz NBDNJMNKGXDERP-RTBURBONSA-N 2 2 375.557 3.746 20 0 GHADLP CCCCCC[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000737870472 865449882 /nfs/dbraw/zinc/44/98/82/865449882.db2.gz NBDNJMNKGXDERP-RTBURBONSA-N 2 2 375.557 3.746 20 0 GHADLP C[NH+]1CCC(CNC(=O)N2CC(C)(C)[C@H]2c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000608718849 865589570 /nfs/dbraw/zinc/58/95/70/865589570.db2.gz SNZKFRCEYHXRSK-OAQYLSRUSA-N 2 2 398.595 3.729 20 0 GHADLP Cc1ccc2[nH+]ccc(NCc3ccccc3OCC[NH+]3CCOCC3)c2c1 ZINC000302141258 865730743 /nfs/dbraw/zinc/73/07/43/865730743.db2.gz FBHLXJRLJWCCSM-UHFFFAOYSA-N 2 2 377.488 3.866 20 0 GHADLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000481053366 865746443 /nfs/dbraw/zinc/74/64/43/865746443.db2.gz JKNOKBHXUKZFSW-BVGQSLNGSA-N 2 2 393.318 3.878 20 0 GHADLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000481053366 865746449 /nfs/dbraw/zinc/74/64/49/865746449.db2.gz JKNOKBHXUKZFSW-BVGQSLNGSA-N 2 2 393.318 3.878 20 0 GHADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(C(=O)OC)cc1 ZINC000550795397 881912466 /nfs/dbraw/zinc/91/24/66/881912466.db2.gz QUPRFXKHJSBZKY-XZOQPEGZSA-N 2 2 396.531 3.805 20 0 GHADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(C(=O)OC)cc1 ZINC000550795397 881912476 /nfs/dbraw/zinc/91/24/76/881912476.db2.gz QUPRFXKHJSBZKY-XZOQPEGZSA-N 2 2 396.531 3.805 20 0 GHADLP CC[N@H+](CCC(=O)Nc1ccc(OC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972101 865861008 /nfs/dbraw/zinc/86/10/08/865861008.db2.gz CSAFYGYTEBEZAB-UHFFFAOYSA-N 2 2 396.535 3.657 20 0 GHADLP CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972101 865861019 /nfs/dbraw/zinc/86/10/19/865861019.db2.gz CSAFYGYTEBEZAB-UHFFFAOYSA-N 2 2 396.535 3.657 20 0 GHADLP CC[NH+]1CCN(c2ccc(CNc3c(C)c[nH+]c4c(OC)cccc34)cn2)CC1 ZINC000302633964 865862941 /nfs/dbraw/zinc/86/29/41/865862941.db2.gz JTFSRFYGBCEBFU-UHFFFAOYSA-N 2 2 391.519 3.701 20 0 GHADLP Brc1ccc2c(cc[nH+]c2NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000665707808 865870743 /nfs/dbraw/zinc/87/07/43/865870743.db2.gz YYFRCURUNMXHCL-INIZCTEOSA-N 2 2 376.298 3.663 20 0 GHADLP CC1(C)C[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c2ccccc21 ZINC000481199253 865964378 /nfs/dbraw/zinc/96/43/78/865964378.db2.gz DIBIAIGGWYIZHT-JOCHJYFZSA-N 2 2 380.532 3.910 20 0 GHADLP CC(C)N(C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000481189950 865973503 /nfs/dbraw/zinc/97/35/03/865973503.db2.gz KQRPHHKCSHXGRJ-NFBKMPQASA-N 2 2 379.548 3.928 20 0 GHADLP CC(C)N(C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000481189950 865973517 /nfs/dbraw/zinc/97/35/17/865973517.db2.gz KQRPHHKCSHXGRJ-NFBKMPQASA-N 2 2 379.548 3.928 20 0 GHADLP Cn1c[nH+]cc1CC[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000623086787 866006552 /nfs/dbraw/zinc/00/65/52/866006552.db2.gz KGWGMXRGEOPYJM-UHFFFAOYSA-N 2 2 377.311 3.638 20 0 GHADLP COc1ccc2c(C[N@@H+]3CCC[C@H](C[NH+]4CCCC[C@@H]4C)C3)cc(=O)oc2c1 ZINC000303533722 866227066 /nfs/dbraw/zinc/22/70/66/866227066.db2.gz FEJIJRUEXLKIIT-ROUUACIJSA-N 2 2 384.520 3.888 20 0 GHADLP COc1ccc2c(C[N@H+]3CCC[C@H](C[NH+]4CCCC[C@@H]4C)C3)cc(=O)oc2c1 ZINC000303533722 866227085 /nfs/dbraw/zinc/22/70/85/866227085.db2.gz FEJIJRUEXLKIIT-ROUUACIJSA-N 2 2 384.520 3.888 20 0 GHADLP COc1ccc2c(C[NH+]3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc(=O)oc2c1 ZINC000303533722 866227103 /nfs/dbraw/zinc/22/71/03/866227103.db2.gz FEJIJRUEXLKIIT-ROUUACIJSA-N 2 2 384.520 3.888 20 0 GHADLP COc1ccc2c(C[NH+]3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)cc(=O)oc2c1 ZINC000303533722 866227121 /nfs/dbraw/zinc/22/71/21/866227121.db2.gz FEJIJRUEXLKIIT-ROUUACIJSA-N 2 2 384.520 3.888 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000552879755 866420512 /nfs/dbraw/zinc/42/05/12/866420512.db2.gz DVQOVHNHLBMCRA-GHTZIAJQSA-N 2 2 381.520 3.667 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000552879755 866420514 /nfs/dbraw/zinc/42/05/14/866420514.db2.gz DVQOVHNHLBMCRA-GHTZIAJQSA-N 2 2 381.520 3.667 20 0 GHADLP CC1CCC(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000534357957 866594745 /nfs/dbraw/zinc/59/47/45/866594745.db2.gz DJNRCGGHRWUENW-FGGKUVOCSA-N 2 2 377.617 3.998 20 0 GHADLP CC1CCC(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000534357957 866594758 /nfs/dbraw/zinc/59/47/58/866594758.db2.gz DJNRCGGHRWUENW-FGGKUVOCSA-N 2 2 377.617 3.998 20 0 GHADLP CCc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000183422551 866706868 /nfs/dbraw/zinc/70/68/68/866706868.db2.gz LEPWBQIXRCCWOZ-DEOSSOPVSA-N 2 2 390.531 3.598 20 0 GHADLP CN(C(=O)NCC12CCC(CC1)C2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534579437 867083775 /nfs/dbraw/zinc/08/37/75/867083775.db2.gz PKVDQLAUHVQBOA-QKWOESADSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)NCC12CCC(CC1)C2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534579437 867083789 /nfs/dbraw/zinc/08/37/89/867083789.db2.gz PKVDQLAUHVQBOA-QKWOESADSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)NCC12CCC(CC1)C2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534579438 867083993 /nfs/dbraw/zinc/08/39/93/867083993.db2.gz PKVDQLAUHVQBOA-QXMMQCAPSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)NCC12CCC(CC1)C2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534579438 867084010 /nfs/dbraw/zinc/08/40/10/867084010.db2.gz PKVDQLAUHVQBOA-QXMMQCAPSA-N 2 2 390.616 3.545 20 0 GHADLP COc1cc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc(OC)c1OC ZINC000742377331 867270301 /nfs/dbraw/zinc/27/03/01/867270301.db2.gz AYBWFCZEWYZQAE-UHFFFAOYSA-N 2 2 399.535 3.537 20 0 GHADLP Cc1cn2cc(NC(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)ccc2[nH+]1 ZINC000523421821 867292979 /nfs/dbraw/zinc/29/29/79/867292979.db2.gz SBIAFGWACKHXIX-UHFFFAOYSA-N 2 2 377.492 3.950 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC(C)(C)C[NH+]3CCCC3)n2)C1 ZINC000479216856 867370431 /nfs/dbraw/zinc/37/04/31/867370431.db2.gz ZVQFHRNYDCQWKU-INIZCTEOSA-N 2 2 393.601 3.619 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC(C)(C)C[NH+]3CCCC3)n2)C1 ZINC000479216856 867370447 /nfs/dbraw/zinc/37/04/47/867370447.db2.gz ZVQFHRNYDCQWKU-INIZCTEOSA-N 2 2 393.601 3.619 20 0 GHADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1NC(C)=O ZINC000572482382 867472495 /nfs/dbraw/zinc/47/24/95/867472495.db2.gz QDCZUCQEZDYSNH-OAQYLSRUSA-N 2 2 393.531 3.940 20 0 GHADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1NC(C)=O ZINC000572482382 867472503 /nfs/dbraw/zinc/47/25/03/867472503.db2.gz QDCZUCQEZDYSNH-OAQYLSRUSA-N 2 2 393.531 3.940 20 0 GHADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3nc(-c4ccccc4)c[nH]3)cc2)C[C@H](C)O1 ZINC000194232797 882111603 /nfs/dbraw/zinc/11/16/03/882111603.db2.gz XDEKVMHZNGLHNT-OALUTQOASA-N 2 2 390.531 3.976 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc2c(s1)CCC2 ZINC000155170053 867783335 /nfs/dbraw/zinc/78/33/35/867783335.db2.gz DYFBNXDARQXPQS-QGZVFWFLSA-N 2 2 386.561 3.799 20 0 GHADLP CC(C)[C@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCCCC1 ZINC000523797400 868003390 /nfs/dbraw/zinc/00/33/90/868003390.db2.gz ZEHMIXVTBRJAGI-NRFANRHFSA-N 2 2 383.540 3.572 20 0 GHADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000508623411 882152975 /nfs/dbraw/zinc/15/29/75/882152975.db2.gz AMBYNEUYZINPQI-WFXMLNOXSA-N 2 2 375.557 3.601 20 0 GHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000479858462 868611630 /nfs/dbraw/zinc/61/16/30/868611630.db2.gz GYVVXIMXMDXCGU-SFHVURJKSA-N 2 2 375.476 3.851 20 0 GHADLP COc1cc(F)c([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1OC ZINC000479891689 868690509 /nfs/dbraw/zinc/69/05/09/868690509.db2.gz QPLBULQPQIUOGR-INIZCTEOSA-N 2 2 388.483 3.526 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000667590093 868877128 /nfs/dbraw/zinc/87/71/28/868877128.db2.gz LFFDWFOKOOPTFU-UHFFFAOYSA-N 2 2 380.458 3.783 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000667590093 868877142 /nfs/dbraw/zinc/87/71/42/868877142.db2.gz LFFDWFOKOOPTFU-UHFFFAOYSA-N 2 2 380.458 3.783 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([NH+]2CCC(Nc3cccc[nH+]3)CC2)C1=O ZINC000535573077 869024058 /nfs/dbraw/zinc/02/40/58/869024058.db2.gz FVMPAUXWPOZJIP-FQEVSTJZSA-N 2 2 382.483 3.601 20 0 GHADLP CC[C@H](c1ccc(Br)cc1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000539449785 869157963 /nfs/dbraw/zinc/15/79/63/869157963.db2.gz XEPLQSLPQCAOAE-LJQANCHMSA-N 2 2 391.357 3.805 20 0 GHADLP CC[N@H+](C)[C@@H](c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)c1ccccc1 ZINC000504268293 869235071 /nfs/dbraw/zinc/23/50/71/869235071.db2.gz SEDYIBHRXFNMOE-OAQYLSRUSA-N 2 2 392.503 3.610 20 0 GHADLP CC[N@@H+](C)[C@@H](c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)c1ccccc1 ZINC000504268293 869235084 /nfs/dbraw/zinc/23/50/84/869235084.db2.gz SEDYIBHRXFNMOE-OAQYLSRUSA-N 2 2 392.503 3.610 20 0 GHADLP Cc1cc(C[NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)ccc1-n1cncn1 ZINC000462367203 869297457 /nfs/dbraw/zinc/29/74/57/869297457.db2.gz ZEAFZGCQMBVMGR-XMMPIXPASA-N 2 2 389.547 3.748 20 0 GHADLP Cc1cc(C[NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)ccc1-n1cncn1 ZINC000462367203 869297465 /nfs/dbraw/zinc/29/74/65/869297465.db2.gz ZEAFZGCQMBVMGR-XMMPIXPASA-N 2 2 389.547 3.748 20 0 GHADLP Cc1cccc(C)c1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539707485 869633413 /nfs/dbraw/zinc/63/34/13/869633413.db2.gz CQADBMJFGLWUIQ-GOTSBHOMSA-N 2 2 385.596 3.642 20 0 GHADLP Cc1cccc(C)c1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539707485 869633423 /nfs/dbraw/zinc/63/34/23/869633423.db2.gz CQADBMJFGLWUIQ-GOTSBHOMSA-N 2 2 385.596 3.642 20 0 GHADLP O=C(CCCC[NH+]1CCCC1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000920760252 882361361 /nfs/dbraw/zinc/36/13/61/882361361.db2.gz YDBAYZFALCGZCF-UHFFFAOYSA-N 2 2 397.485 3.616 20 0 GHADLP Cc1[nH]c(-c2cccc(NC(=O)CC3([NH+]4CCOCC4)CCCC3)c2)[nH+]c1C ZINC000746158104 870085122 /nfs/dbraw/zinc/08/51/22/870085122.db2.gz QQKWXGDRNDYBEZ-UHFFFAOYSA-N 2 2 382.508 3.667 20 0 GHADLP CN(C(=O)CCCC(F)(F)F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539971499 870133706 /nfs/dbraw/zinc/13/37/06/870133706.db2.gz YNWIHTUBBORVKH-IAGOWNOFSA-N 2 2 377.495 3.515 20 0 GHADLP CN(C(=O)CCCC(F)(F)F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539971499 870133709 /nfs/dbraw/zinc/13/37/09/870133709.db2.gz YNWIHTUBBORVKH-IAGOWNOFSA-N 2 2 377.495 3.515 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000247964483 870247874 /nfs/dbraw/zinc/24/78/74/870247874.db2.gz GPZCADAIKVTKFS-OXJNMPFZSA-N 2 2 388.353 3.887 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000247964483 870247889 /nfs/dbraw/zinc/24/78/89/870247889.db2.gz GPZCADAIKVTKFS-OXJNMPFZSA-N 2 2 388.353 3.887 20 0 GHADLP CN(C(=O)C1CCC(F)(F)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248135972 870297331 /nfs/dbraw/zinc/29/73/31/870297331.db2.gz XLFPBHNRDIGRMC-RBUKOAKNSA-N 2 2 385.543 3.608 20 0 GHADLP CN(C(=O)C1CCC(F)(F)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248135972 870297348 /nfs/dbraw/zinc/29/73/48/870297348.db2.gz XLFPBHNRDIGRMC-RBUKOAKNSA-N 2 2 385.543 3.608 20 0 GHADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000122082723 882393435 /nfs/dbraw/zinc/39/34/35/882393435.db2.gz QFIITOFRCMNMEL-QFIPXVFZSA-N 2 2 394.563 3.960 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N(Cc3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248175458 870310683 /nfs/dbraw/zinc/31/06/83/870310683.db2.gz VMUBVDYJFHWROC-FYYLOGMGSA-N 2 2 377.532 3.636 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N(Cc3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248175458 870310692 /nfs/dbraw/zinc/31/06/92/870310692.db2.gz VMUBVDYJFHWROC-FYYLOGMGSA-N 2 2 377.532 3.636 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N(Cc3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248175458 870310704 /nfs/dbraw/zinc/31/07/04/870310704.db2.gz VMUBVDYJFHWROC-FYYLOGMGSA-N 2 2 377.532 3.636 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N(Cc3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248175458 870310716 /nfs/dbraw/zinc/31/07/16/870310716.db2.gz VMUBVDYJFHWROC-FYYLOGMGSA-N 2 2 377.532 3.636 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)CC1 ZINC000462911666 870373908 /nfs/dbraw/zinc/37/39/08/870373908.db2.gz HEKHWOAEQSHDBP-UHFFFAOYSA-N 2 2 382.907 3.674 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(N3CCCC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000538731777 870460849 /nfs/dbraw/zinc/46/08/49/870460849.db2.gz NBFDJRGTCNYLAE-SIKLNZKXSA-N 2 2 379.552 3.562 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(N3CCCC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000538731777 870460861 /nfs/dbraw/zinc/46/08/61/870460861.db2.gz NBFDJRGTCNYLAE-SIKLNZKXSA-N 2 2 379.552 3.562 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc(N3CCCC3)nc2)CC[NH+]1Cc1ccccc1 ZINC000538731777 870460873 /nfs/dbraw/zinc/46/08/73/870460873.db2.gz NBFDJRGTCNYLAE-SIKLNZKXSA-N 2 2 379.552 3.562 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc(N3CCCC3)nc2)CC[NH+]1Cc1ccccc1 ZINC000538731777 870460883 /nfs/dbraw/zinc/46/08/83/870460883.db2.gz NBFDJRGTCNYLAE-SIKLNZKXSA-N 2 2 379.552 3.562 20 0 GHADLP c1c[nH]c([C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc2)n1 ZINC000446824613 870476627 /nfs/dbraw/zinc/47/66/27/870476627.db2.gz VKCCOKJNVUPMKW-JOCHJYFZSA-N 2 2 376.504 3.764 20 0 GHADLP CN(C)c1nc(N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)cc[nH+]1 ZINC000525363686 870496625 /nfs/dbraw/zinc/49/66/25/870496625.db2.gz SWKAMAAFWNUILG-UHFFFAOYSA-N 2 2 397.523 3.732 20 0 GHADLP CC[N@@H+](Cc1cc(-c2cccnc2)n[nH]1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538762075 870603383 /nfs/dbraw/zinc/60/33/83/870603383.db2.gz WEAOUADONVYSSE-HXUWFJFHSA-N 2 2 375.520 3.816 20 0 GHADLP CC[N@H+](Cc1cc(-c2cccnc2)n[nH]1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538762075 870603389 /nfs/dbraw/zinc/60/33/89/870603389.db2.gz WEAOUADONVYSSE-HXUWFJFHSA-N 2 2 375.520 3.816 20 0 GHADLP CC[NH+](Cc1cc(-c2cccnc2)n[nH]1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538762075 870603405 /nfs/dbraw/zinc/60/34/05/870603405.db2.gz WEAOUADONVYSSE-HXUWFJFHSA-N 2 2 375.520 3.816 20 0 GHADLP CC[NH+](Cc1cc(-c2cccnc2)n[nH]1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538762075 870603414 /nfs/dbraw/zinc/60/34/14/870603414.db2.gz WEAOUADONVYSSE-HXUWFJFHSA-N 2 2 375.520 3.816 20 0 GHADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000060354892 882434417 /nfs/dbraw/zinc/43/44/17/882434417.db2.gz UFBLWTIFMUVSMQ-SFTDATJTSA-N 2 2 381.520 3.506 20 0 GHADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000060354892 882434424 /nfs/dbraw/zinc/43/44/24/882434424.db2.gz UFBLWTIFMUVSMQ-SFTDATJTSA-N 2 2 381.520 3.506 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463115553 870916394 /nfs/dbraw/zinc/91/63/94/870916394.db2.gz LOPPSFJPMWLVKO-XLIONFOSSA-N 2 2 384.520 3.855 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463115553 870916399 /nfs/dbraw/zinc/91/63/99/870916399.db2.gz LOPPSFJPMWLVKO-XLIONFOSSA-N 2 2 384.520 3.855 20 0 GHADLP OC[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429696573 871043757 /nfs/dbraw/zinc/04/37/57/871043757.db2.gz IRJCVFHRQAQJLU-RPBOFIJWSA-N 2 2 394.559 3.551 20 0 GHADLP OC[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429696573 871043784 /nfs/dbraw/zinc/04/37/84/871043784.db2.gz IRJCVFHRQAQJLU-RPBOFIJWSA-N 2 2 394.559 3.551 20 0 GHADLP OC[C@@H](C1CC1)[NH+](Cc1ccccc1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429696573 871043801 /nfs/dbraw/zinc/04/38/01/871043801.db2.gz IRJCVFHRQAQJLU-RPBOFIJWSA-N 2 2 394.559 3.551 20 0 GHADLP OC[C@@H](C1CC1)[NH+](Cc1ccccc1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429696573 871043826 /nfs/dbraw/zinc/04/38/26/871043826.db2.gz IRJCVFHRQAQJLU-RPBOFIJWSA-N 2 2 394.559 3.551 20 0 GHADLP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CN1Cc1ccccc1 ZINC000766574581 871161281 /nfs/dbraw/zinc/16/12/81/871161281.db2.gz HDBVXCBTDYQPOM-REWPJTCUSA-N 2 2 392.591 3.974 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cncn1Cc1ccc(C(F)(F)F)cc1)C2 ZINC001169119376 871210564 /nfs/dbraw/zinc/21/05/64/871210564.db2.gz SBCAYCZWMZYDOW-NNZMDNLPSA-N 2 2 378.442 3.665 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cncn1Cc1ccc(C(F)(F)F)cc1)C2 ZINC001169119376 871210577 /nfs/dbraw/zinc/21/05/77/871210577.db2.gz SBCAYCZWMZYDOW-NNZMDNLPSA-N 2 2 378.442 3.665 20 0 GHADLP COc1cc(OC)c(C2OCCO2)cc1[NH2+][C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169143994 871256641 /nfs/dbraw/zinc/25/66/41/871256641.db2.gz LECRPDLIAMPCSQ-LHSJRXKWSA-N 2 2 378.513 3.705 20 0 GHADLP Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)C2)c1 ZINC001169147863 871257855 /nfs/dbraw/zinc/25/78/55/871257855.db2.gz BTCVDEMZYCGGBH-FGZHOGPDSA-N 2 2 388.515 3.631 20 0 GHADLP Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)C2)c1 ZINC001169147863 871257871 /nfs/dbraw/zinc/25/78/71/871257871.db2.gz BTCVDEMZYCGGBH-FGZHOGPDSA-N 2 2 388.515 3.631 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000463283772 871330572 /nfs/dbraw/zinc/33/05/72/871330572.db2.gz PYAZGHFUEKGEKR-UNWVZKJWSA-N 2 2 383.580 3.953 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000463283772 871330594 /nfs/dbraw/zinc/33/05/94/871330594.db2.gz PYAZGHFUEKGEKR-UNWVZKJWSA-N 2 2 383.580 3.953 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000428477849 871330762 /nfs/dbraw/zinc/33/07/62/871330762.db2.gz FPIHVIMNJLNCNH-PZJWPPBQSA-N 2 2 397.567 3.703 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000428477849 871330780 /nfs/dbraw/zinc/33/07/80/871330780.db2.gz FPIHVIMNJLNCNH-PZJWPPBQSA-N 2 2 397.567 3.703 20 0 GHADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000539148483 871430977 /nfs/dbraw/zinc/43/09/77/871430977.db2.gz OLWRBUXEKFWQMJ-ZACQAIPSSA-N 2 2 382.495 3.616 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000539201461 871492218 /nfs/dbraw/zinc/49/22/18/871492218.db2.gz BOOHGDCHEDBUFN-NHCUHLMSSA-N 2 2 375.532 3.589 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000539201461 871492231 /nfs/dbraw/zinc/49/22/31/871492231.db2.gz BOOHGDCHEDBUFN-NHCUHLMSSA-N 2 2 375.532 3.589 20 0 GHADLP Cc1c2[nH+]c[nH]c2ccc1N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169522496 871599103 /nfs/dbraw/zinc/59/91/03/871599103.db2.gz VKZIATLNDIQRRU-FXAWDEMLSA-N 2 2 378.476 3.742 20 0 GHADLP C[C@@]([NH3+])(C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000447433257 871640594 /nfs/dbraw/zinc/64/05/94/871640594.db2.gz ACVRAMILLMFTCH-RXVVDRJESA-N 2 2 389.902 3.606 20 0 GHADLP COc1cc(C[NH+]2CCOCC2)ccc1N1CCC[C@@H]([NH3+])c2cc(C)ccc21 ZINC001169689728 871758657 /nfs/dbraw/zinc/75/86/57/871758657.db2.gz NTCYJZLSLCIOKV-HXUWFJFHSA-N 2 2 381.520 3.768 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000462174105 871766708 /nfs/dbraw/zinc/76/67/08/871766708.db2.gz FVIWLAFGIHLRSY-FUHWJXTLSA-N 2 2 380.602 3.503 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000447535280 871798170 /nfs/dbraw/zinc/79/81/70/871798170.db2.gz DZEXAXRNOJVJAT-DHIUTWEWSA-N 2 2 397.538 3.642 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000447535280 871798172 /nfs/dbraw/zinc/79/81/72/871798172.db2.gz DZEXAXRNOJVJAT-DHIUTWEWSA-N 2 2 397.538 3.642 20 0 GHADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169765153 871853033 /nfs/dbraw/zinc/85/30/33/871853033.db2.gz TWFLNSNPJWOYJC-XMMPIXPASA-N 2 2 391.559 3.888 20 0 GHADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169765153 871853051 /nfs/dbraw/zinc/85/30/51/871853051.db2.gz TWFLNSNPJWOYJC-XMMPIXPASA-N 2 2 391.559 3.888 20 0 GHADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000447566048 871876674 /nfs/dbraw/zinc/87/66/74/871876674.db2.gz PVPJRGOGRMFPSJ-UEKVPHQBSA-N 2 2 392.712 3.763 20 0 GHADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000447566048 871876698 /nfs/dbraw/zinc/87/66/98/871876698.db2.gz PVPJRGOGRMFPSJ-UEKVPHQBSA-N 2 2 392.712 3.763 20 0 GHADLP CC[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000460478024 882556384 /nfs/dbraw/zinc/55/63/84/882556384.db2.gz VUMYJFSSKQEDRJ-NRFANRHFSA-N 2 2 385.596 3.945 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C1)C2 ZINC000526004585 871930258 /nfs/dbraw/zinc/93/02/58/871930258.db2.gz LPNXFQHETJDFSV-GUDVDZBRSA-N 2 2 386.584 3.751 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@H](C[N@H+]3CCCC[C@H]3C)C1)C2 ZINC000526004585 871930276 /nfs/dbraw/zinc/93/02/76/871930276.db2.gz LPNXFQHETJDFSV-GUDVDZBRSA-N 2 2 386.584 3.751 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C1)CC2 ZINC000526004585 871930290 /nfs/dbraw/zinc/93/02/90/871930290.db2.gz LPNXFQHETJDFSV-GUDVDZBRSA-N 2 2 386.584 3.751 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@H](C[N@H+]3CCCC[C@H]3C)C1)CC2 ZINC000526004585 871930302 /nfs/dbraw/zinc/93/03/02/871930302.db2.gz LPNXFQHETJDFSV-GUDVDZBRSA-N 2 2 386.584 3.751 20 0 GHADLP c1cc(-c2ccc3c(C4C[NH+]([C@@H]5CCCC6(C5)OCCO6)C4)[nH+]cn3c2)co1 ZINC001169949686 872049046 /nfs/dbraw/zinc/04/90/46/872049046.db2.gz ONUSFPDUHFJWFC-LJQANCHMSA-N 2 2 379.460 3.679 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-n2ccnc2)cc1 ZINC000540757099 872071195 /nfs/dbraw/zinc/07/11/95/872071195.db2.gz XVHYPXIFMUIEEK-LAUBAEHRSA-N 2 2 376.508 3.581 20 0 GHADLP CC[N@@H+](Cc1ccccc1OCCOC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564705 872272860 /nfs/dbraw/zinc/27/28/60/872272860.db2.gz DIXBLLVSTGERGF-UHFFFAOYSA-N 2 2 383.536 3.845 20 0 GHADLP CC[N@H+](Cc1ccccc1OCCOC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564705 872272881 /nfs/dbraw/zinc/27/28/81/872272881.db2.gz DIXBLLVSTGERGF-UHFFFAOYSA-N 2 2 383.536 3.845 20 0 GHADLP Cc1cn2cc(NC(=O)NC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)ccc2[nH+]1 ZINC000527073051 872603880 /nfs/dbraw/zinc/60/38/80/872603880.db2.gz FPRRSANUZSBRLO-UHFFFAOYSA-N 2 2 395.429 3.570 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000191881009 882653537 /nfs/dbraw/zinc/65/35/37/882653537.db2.gz GDEFLFNZBMLYGH-UHFFFAOYSA-N 2 2 387.487 3.661 20 0 GHADLP Cc1nn(C)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1Br ZINC000448345008 873268604 /nfs/dbraw/zinc/26/86/04/873268604.db2.gz PTVQQAAEHQDHSJ-HNNXBMFYSA-N 2 2 397.405 3.968 20 0 GHADLP Cc1nn(C)c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1Br ZINC000448345008 873268616 /nfs/dbraw/zinc/26/86/16/873268616.db2.gz PTVQQAAEHQDHSJ-HNNXBMFYSA-N 2 2 397.405 3.968 20 0 GHADLP COc1cc2c(cc1OC)[C@@H](C)[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC001197497557 873870638 /nfs/dbraw/zinc/87/06/38/873870638.db2.gz SXXWNYNJTNGMSD-GOSISDBHSA-N 2 2 396.531 3.655 20 0 GHADLP COc1cc2c(cc1OC)[C@@H](C)[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC001197497557 873870657 /nfs/dbraw/zinc/87/06/57/873870657.db2.gz SXXWNYNJTNGMSD-GOSISDBHSA-N 2 2 396.531 3.655 20 0 GHADLP CC(C)(C)OC(=O)NCC1(c2ccccc2)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC001198260396 874292127 /nfs/dbraw/zinc/29/21/27/874292127.db2.gz JKLVCVCLQZVWAC-UHFFFAOYSA-N 2 2 398.551 3.832 20 0 GHADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000449078246 874459849 /nfs/dbraw/zinc/45/98/49/874459849.db2.gz LIKCPMGUKSZYMJ-FQEVSTJZSA-N 3 2 378.564 3.736 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449111832 874522392 /nfs/dbraw/zinc/52/23/92/874522392.db2.gz OIHHWIAZGYEMFH-IHPCNDPISA-N 2 2 377.960 3.508 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449111832 874522399 /nfs/dbraw/zinc/52/23/99/874522399.db2.gz OIHHWIAZGYEMFH-IHPCNDPISA-N 2 2 377.960 3.508 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449208088 874588242 /nfs/dbraw/zinc/58/82/42/874588242.db2.gz NYDDKHDJVACNBY-SFHVURJKSA-N 2 2 381.520 3.948 20 0 GHADLP C[C@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449326088 874708827 /nfs/dbraw/zinc/70/88/27/874708827.db2.gz SEOABSOESWPDIA-GOSISDBHSA-N 2 2 389.565 3.583 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccc(C(C)(C)C)s3)C2)CC1 ZINC000449499428 874961146 /nfs/dbraw/zinc/96/11/46/874961146.db2.gz MAZCPGZOKFWEDC-LJQANCHMSA-N 2 2 391.625 3.812 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccc(C(C)(C)C)s3)C2)CC1 ZINC000449499428 874961155 /nfs/dbraw/zinc/96/11/55/874961155.db2.gz MAZCPGZOKFWEDC-LJQANCHMSA-N 2 2 391.625 3.812 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(C(C)(C)C)s3)C2)CC1 ZINC000449499428 874961167 /nfs/dbraw/zinc/96/11/67/874961167.db2.gz MAZCPGZOKFWEDC-LJQANCHMSA-N 2 2 391.625 3.812 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(C(C)(C)C)s3)C2)CC1 ZINC000449499428 874961179 /nfs/dbraw/zinc/96/11/79/874961179.db2.gz MAZCPGZOKFWEDC-LJQANCHMSA-N 2 2 391.625 3.812 20 0 GHADLP COc1cc(F)cc(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1 ZINC000449523079 874997721 /nfs/dbraw/zinc/99/77/21/874997721.db2.gz KUJOTDAWETWRSD-UHFFFAOYSA-N 2 2 385.483 3.547 20 0 GHADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)Nc1ccc(OC(F)F)cc1 ZINC000542131653 875027874 /nfs/dbraw/zinc/02/78/74/875027874.db2.gz OHDNRZRJRYXLKD-UHFFFAOYSA-N 2 2 392.450 3.615 20 0 GHADLP CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475733785 882895258 /nfs/dbraw/zinc/89/52/58/882895258.db2.gz VSFGZINYXPXGOP-VWLOTQADSA-N 2 2 391.559 3.877 20 0 GHADLP CN(C)C(=O)c1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475733785 882895270 /nfs/dbraw/zinc/89/52/70/882895270.db2.gz VSFGZINYXPXGOP-VWLOTQADSA-N 2 2 391.559 3.877 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475733785 882895284 /nfs/dbraw/zinc/89/52/84/882895284.db2.gz VSFGZINYXPXGOP-VWLOTQADSA-N 2 2 391.559 3.877 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475733785 882895301 /nfs/dbraw/zinc/89/53/01/882895301.db2.gz VSFGZINYXPXGOP-VWLOTQADSA-N 2 2 391.559 3.877 20 0 GHADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000122990079 882896573 /nfs/dbraw/zinc/89/65/73/882896573.db2.gz VCNTVACOBBUIJL-UHFFFAOYSA-N 2 2 391.357 3.942 20 0 GHADLP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)C1 ZINC000465180417 875224759 /nfs/dbraw/zinc/22/47/59/875224759.db2.gz AGAYHWGPXAFACU-GOSISDBHSA-N 2 2 390.487 3.845 20 0 GHADLP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)C1 ZINC000465180417 875224773 /nfs/dbraw/zinc/22/47/73/875224773.db2.gz AGAYHWGPXAFACU-GOSISDBHSA-N 2 2 390.487 3.845 20 0 GHADLP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2cccnc2Cl)CC1)CC1CC1 ZINC000771475900 875277919 /nfs/dbraw/zinc/27/79/19/875277919.db2.gz QQGAYBGAYIDZKX-UHFFFAOYSA-N 2 2 378.948 3.508 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2cccnc2Cl)CC1)CC1CC1 ZINC000771475900 875277930 /nfs/dbraw/zinc/27/79/30/875277930.db2.gz QQGAYBGAYIDZKX-UHFFFAOYSA-N 2 2 378.948 3.508 20 0 GHADLP Cn1c[nH+]cc1CC[NH2+]Cc1c(F)ccc(C(F)(F)F)c1Br ZINC000858195851 882930884 /nfs/dbraw/zinc/93/08/84/882930884.db2.gz DFCGSJNKVZJYKA-UHFFFAOYSA-N 2 2 380.183 3.673 20 0 GHADLP CN(C(=O)NC(C1CCCC1)C1CCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771766183 875471773 /nfs/dbraw/zinc/47/17/73/875471773.db2.gz RTTZSWTXZBDWNG-OAQYLSRUSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)NC(C1CCCC1)C1CCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771766183 875471785 /nfs/dbraw/zinc/47/17/85/875471785.db2.gz RTTZSWTXZBDWNG-OAQYLSRUSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)NC(C1CCCC1)C1CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771766177 875471976 /nfs/dbraw/zinc/47/19/76/875471976.db2.gz RTTZSWTXZBDWNG-NRFANRHFSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)NC(C1CCCC1)C1CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771766177 875471983 /nfs/dbraw/zinc/47/19/83/875471983.db2.gz RTTZSWTXZBDWNG-NRFANRHFSA-N 2 2 390.616 3.545 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NC[C@@H](O)c3c(Cl)cccc3Cl)c2)C1 ZINC001170032876 875477591 /nfs/dbraw/zinc/47/75/91/875477591.db2.gz QBSBUAWNFMMMQG-RDTXWAMCSA-N 2 2 380.319 3.672 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NC[C@@H](O)c3c(Cl)cccc3Cl)c2)C1 ZINC001170032876 875477598 /nfs/dbraw/zinc/47/75/98/875477598.db2.gz QBSBUAWNFMMMQG-RDTXWAMCSA-N 2 2 380.319 3.672 20 0 GHADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC001201415981 875679167 /nfs/dbraw/zinc/67/91/67/875679167.db2.gz ITFCCPKVLYDAPN-IAGOWNOFSA-N 2 2 387.749 3.570 20 0 GHADLP CCCn1c(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)nc2ccccc21 ZINC001201542358 875738266 /nfs/dbraw/zinc/73/82/66/875738266.db2.gz PQTFWIYMKAVROE-GOSISDBHSA-N 2 2 378.524 3.594 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C12CCC2 ZINC000858227970 882959575 /nfs/dbraw/zinc/95/95/75/882959575.db2.gz SQOYULDFGQWEGA-QGZVFWFLSA-N 2 2 388.537 3.956 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccsc1 ZINC000669937559 875891145 /nfs/dbraw/zinc/89/11/45/875891145.db2.gz LEEJZHQJSOSXCU-AWEZNQCLSA-N 2 2 378.567 3.726 20 0 GHADLP COc1cc(OC)c(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c(OC)c1 ZINC000776220455 875907739 /nfs/dbraw/zinc/90/77/39/875907739.db2.gz NQPJYMSKRNEMFY-UHFFFAOYSA-N 2 2 399.535 3.537 20 0 GHADLP C[N@@H+]1CCCC[C@@H]1CCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000550993542 882987438 /nfs/dbraw/zinc/98/74/38/882987438.db2.gz RZDWZINUTVAAKK-GOSISDBHSA-N 2 2 385.581 3.830 20 0 GHADLP C[N@H+]1CCCC[C@@H]1CCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000550993542 882987458 /nfs/dbraw/zinc/98/74/58/882987458.db2.gz RZDWZINUTVAAKK-GOSISDBHSA-N 2 2 385.581 3.830 20 0 GHADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000179478310 883002250 /nfs/dbraw/zinc/00/22/50/883002250.db2.gz KQNKMVXELNYAAQ-OPYAIIAOSA-N 2 2 391.519 3.735 20 0 GHADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000179478310 883002265 /nfs/dbraw/zinc/00/22/65/883002265.db2.gz KQNKMVXELNYAAQ-OPYAIIAOSA-N 2 2 391.519 3.735 20 0 GHADLP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000179512544 883005533 /nfs/dbraw/zinc/00/55/33/883005533.db2.gz KUGKMQDMQUUTJF-DYXWJJEUSA-N 2 2 383.536 3.605 20 0 GHADLP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000179512544 883005551 /nfs/dbraw/zinc/00/55/51/883005551.db2.gz KUGKMQDMQUUTJF-DYXWJJEUSA-N 2 2 383.536 3.605 20 0 GHADLP C[NH+](C)C1(CNc2cc[nH+]c3cc(F)c(Br)cc23)CCOCC1 ZINC000450330860 876269897 /nfs/dbraw/zinc/26/98/97/876269897.db2.gz KBVXWMGVQWSVAW-UHFFFAOYSA-N 2 2 382.277 3.659 20 0 GHADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccsc2C(F)(F)F)c2ccccc2)CC1 ZINC000529534439 876272681 /nfs/dbraw/zinc/27/26/81/876272681.db2.gz CGFRQHTTWUVORE-QGZVFWFLSA-N 2 2 383.483 3.845 20 0 GHADLP Cc1cncc(-c2nc(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)no2)c1 ZINC000450351140 876315986 /nfs/dbraw/zinc/31/59/86/876315986.db2.gz YQAXFPJYYJNUMQ-UHFFFAOYSA-N 2 2 391.519 3.784 20 0 GHADLP Cc1cncc(-c2nc(C[NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)no2)c1 ZINC000450351140 876315998 /nfs/dbraw/zinc/31/59/98/876315998.db2.gz YQAXFPJYYJNUMQ-UHFFFAOYSA-N 2 2 391.519 3.784 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000173359140 876338687 /nfs/dbraw/zinc/33/86/87/876338687.db2.gz ZTOZWYAUDUKKLT-MRXNPFEDSA-N 2 2 376.447 3.527 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccccc1)c1cccc2ccccc21 ZINC000492197631 876389982 /nfs/dbraw/zinc/38/99/82/876389982.db2.gz RTGWVZLFMVJSTP-BJKOFHAPSA-N 2 2 387.527 3.859 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccccc1)c1cccc2ccccc21 ZINC000492197631 876389995 /nfs/dbraw/zinc/38/99/95/876389995.db2.gz RTGWVZLFMVJSTP-BJKOFHAPSA-N 2 2 387.527 3.859 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000850554772 877021639 /nfs/dbraw/zinc/02/16/39/877021639.db2.gz DPPZFJVVPMJQBF-VOBQZIQPSA-N 2 2 394.346 3.922 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000850554772 877021661 /nfs/dbraw/zinc/02/16/61/877021661.db2.gz DPPZFJVVPMJQBF-VOBQZIQPSA-N 2 2 394.346 3.922 20 0 GHADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1SC(F)F ZINC000850556674 877023016 /nfs/dbraw/zinc/02/30/16/877023016.db2.gz IQYSKRXSXYFEJM-CZUORRHYSA-N 2 2 386.508 3.914 20 0 GHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000174943469 877353473 /nfs/dbraw/zinc/35/34/73/877353473.db2.gz MRPCNZAFFGOZLE-IBGZPJMESA-N 2 2 377.548 3.617 20 0 GHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000174943469 877353497 /nfs/dbraw/zinc/35/34/97/877353497.db2.gz MRPCNZAFFGOZLE-IBGZPJMESA-N 2 2 377.548 3.617 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000174943469 877353518 /nfs/dbraw/zinc/35/35/18/877353518.db2.gz MRPCNZAFFGOZLE-IBGZPJMESA-N 2 2 377.548 3.617 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000174943469 877353536 /nfs/dbraw/zinc/35/35/36/877353536.db2.gz MRPCNZAFFGOZLE-IBGZPJMESA-N 2 2 377.548 3.617 20 0 GHADLP CC[C@@H](C)[C@H](C)N(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000175588267 877783142 /nfs/dbraw/zinc/78/31/42/877783142.db2.gz DZKHRMTVTHRJDA-MOPGFXCFSA-N 2 2 378.605 3.545 20 0 GHADLP C[C@]1(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000121816823 877884357 /nfs/dbraw/zinc/88/43/57/877884357.db2.gz CSEMWTKFGIADKF-HSZRJFAPSA-N 2 2 381.520 3.529 20 0 GHADLP C[C@]1(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000121816823 877884370 /nfs/dbraw/zinc/88/43/70/877884370.db2.gz CSEMWTKFGIADKF-HSZRJFAPSA-N 2 2 381.520 3.529 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245443747 877889499 /nfs/dbraw/zinc/88/94/99/877889499.db2.gz JBZKAHYPLJSJLP-DENIHFKCSA-N 2 2 397.538 3.627 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245443747 877889509 /nfs/dbraw/zinc/88/95/09/877889509.db2.gz JBZKAHYPLJSJLP-DENIHFKCSA-N 2 2 397.538 3.627 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245443747 877889519 /nfs/dbraw/zinc/88/95/19/877889519.db2.gz JBZKAHYPLJSJLP-DENIHFKCSA-N 2 2 397.538 3.627 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245443747 877889526 /nfs/dbraw/zinc/88/95/26/877889526.db2.gz JBZKAHYPLJSJLP-DENIHFKCSA-N 2 2 397.538 3.627 20 0 GHADLP C[N@H+](Cc1ccccc1CNC(=O)NCCNc1cccc[nH+]1)C1CCCCC1 ZINC000615894513 878233175 /nfs/dbraw/zinc/23/31/75/878233175.db2.gz LONHOXWOYCUPHF-UHFFFAOYSA-N 2 2 395.551 3.757 20 0 GHADLP C[N@@H+](Cc1ccccc1CNC(=O)NCCNc1cccc[nH+]1)C1CCCCC1 ZINC000615894513 878233196 /nfs/dbraw/zinc/23/31/96/878233196.db2.gz LONHOXWOYCUPHF-UHFFFAOYSA-N 2 2 395.551 3.757 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ccc(N4CCOCC4)c[nH+]2)C3)cc1 ZINC000245695057 878403889 /nfs/dbraw/zinc/40/38/89/878403889.db2.gz KYKBSHDVKUIRHO-MZADTFQBSA-N 2 2 378.520 3.526 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ccc(N4CCOCC4)c[nH+]2)C3)cc1 ZINC000245695057 878403896 /nfs/dbraw/zinc/40/38/96/878403896.db2.gz KYKBSHDVKUIRHO-MZADTFQBSA-N 2 2 378.520 3.526 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)[C@@H](C)C1 ZINC000245708421 878445722 /nfs/dbraw/zinc/44/57/22/878445722.db2.gz FKKPKQMGJJPTLZ-XOBRGWDASA-N 2 2 376.495 3.929 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)[C@@H](C)C1 ZINC000245708421 878445737 /nfs/dbraw/zinc/44/57/37/878445737.db2.gz FKKPKQMGJJPTLZ-XOBRGWDASA-N 2 2 376.495 3.929 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)[C@@H](C)C1 ZINC000245708421 878445749 /nfs/dbraw/zinc/44/57/49/878445749.db2.gz FKKPKQMGJJPTLZ-XOBRGWDASA-N 2 2 376.495 3.929 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)[C@@H](C)C1 ZINC000245708421 878445765 /nfs/dbraw/zinc/44/57/65/878445765.db2.gz FKKPKQMGJJPTLZ-XOBRGWDASA-N 2 2 376.495 3.929 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000616381030 878803489 /nfs/dbraw/zinc/80/34/89/878803489.db2.gz HNSUNECWXWKPHZ-ISKFKSNPSA-N 2 2 397.607 3.664 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000616381030 878803500 /nfs/dbraw/zinc/80/35/00/878803500.db2.gz HNSUNECWXWKPHZ-ISKFKSNPSA-N 2 2 397.607 3.664 20 0 GHADLP C[C@]1(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000616561677 878971372 /nfs/dbraw/zinc/97/13/72/878971372.db2.gz FIFBPFXOTVFURV-URXFXBBRSA-N 2 2 388.515 3.713 20 0 GHADLP C[C@]1(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000616561677 878971378 /nfs/dbraw/zinc/97/13/78/878971378.db2.gz FIFBPFXOTVFURV-URXFXBBRSA-N 2 2 388.515 3.713 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(C)c1OC ZINC000285747215 912417572 /nfs/dbraw/zinc/41/75/72/912417572.db2.gz RMAOMZZHNWSIBC-GOSISDBHSA-N 2 2 384.520 3.695 20 0 GHADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(C)c1OC ZINC000285748852 912419709 /nfs/dbraw/zinc/41/97/09/912419709.db2.gz RMAOMZZHNWSIBC-SFHVURJKSA-N 2 2 384.520 3.695 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1c(Cl)cccc1N1CCCC1 ZINC000538305527 879225447 /nfs/dbraw/zinc/22/54/47/879225447.db2.gz RWHRDNPANLEKOB-CZAAIQMYSA-N 2 2 377.960 3.624 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1c(Cl)cccc1N1CCCC1 ZINC000538305527 879225461 /nfs/dbraw/zinc/22/54/61/879225461.db2.gz RWHRDNPANLEKOB-CZAAIQMYSA-N 2 2 377.960 3.624 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000246339785 879424957 /nfs/dbraw/zinc/42/49/57/879424957.db2.gz UMJAPJDXXPTKIB-IUODEOHRSA-N 2 2 398.841 3.660 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000246339785 879425043 /nfs/dbraw/zinc/42/50/43/879425043.db2.gz UMJAPJDXXPTKIB-IUODEOHRSA-N 2 2 398.841 3.660 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000772747585 879495459 /nfs/dbraw/zinc/49/54/59/879495459.db2.gz PCPLIFKMHCPKQN-WIYYLYMNSA-N 2 2 381.524 3.538 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000772747585 879495463 /nfs/dbraw/zinc/49/54/63/879495463.db2.gz PCPLIFKMHCPKQN-WIYYLYMNSA-N 2 2 381.524 3.538 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000854222758 879640705 /nfs/dbraw/zinc/64/07/05/879640705.db2.gz LPBZPRVUBOTJOY-WPVAHCMFSA-N 2 2 378.607 3.500 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)ccc2[nH+]1 ZINC000531422759 879803010 /nfs/dbraw/zinc/80/30/10/879803010.db2.gz BLEDEXNDFQMZGV-JXFKEZNVSA-N 2 2 377.492 3.675 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)ccc2[nH+]1 ZINC000531422759 879803015 /nfs/dbraw/zinc/80/30/15/879803015.db2.gz BLEDEXNDFQMZGV-JXFKEZNVSA-N 2 2 377.492 3.675 20 0 GHADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)CC3 ZINC000123097113 879928785 /nfs/dbraw/zinc/92/87/85/879928785.db2.gz OISXGRNGNMJIHP-KRWDZBQOSA-N 2 2 376.504 3.687 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000247152116 879931664 /nfs/dbraw/zinc/93/16/64/879931664.db2.gz XBQGFOCEOUCQQF-PKOBYXMFSA-N 2 2 384.593 3.850 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000247152116 879931675 /nfs/dbraw/zinc/93/16/75/879931675.db2.gz XBQGFOCEOUCQQF-PKOBYXMFSA-N 2 2 384.593 3.850 20 0 GHADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247231593 879948600 /nfs/dbraw/zinc/94/86/00/879948600.db2.gz YINQZLLLMUIVSN-YKSBVNFPSA-N 3 2 380.580 3.924 20 0 GHADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247231593 879948615 /nfs/dbraw/zinc/94/86/15/879948615.db2.gz YINQZLLLMUIVSN-YKSBVNFPSA-N 3 2 380.580 3.924 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c2ccccc2n1 ZINC000247232040 879948797 /nfs/dbraw/zinc/94/87/97/879948797.db2.gz XCEVFHKAWUAOAP-DYESRHJHSA-N 2 2 376.504 3.639 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c2ccccc2n1 ZINC000247232040 879948811 /nfs/dbraw/zinc/94/88/11/879948811.db2.gz XCEVFHKAWUAOAP-DYESRHJHSA-N 2 2 376.504 3.639 20 0 GHADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000247354411 879980204 /nfs/dbraw/zinc/98/02/04/879980204.db2.gz IIJAAXIUDRNNNG-COPCDDAFSA-N 2 2 395.551 3.531 20 0 GHADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000247354411 879980215 /nfs/dbraw/zinc/98/02/15/879980215.db2.gz IIJAAXIUDRNNNG-COPCDDAFSA-N 2 2 395.551 3.531 20 0 GHADLP C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182950307 880043531 /nfs/dbraw/zinc/04/35/31/880043531.db2.gz AFAVCBMLRYLOSB-IBGZPJMESA-N 2 2 398.551 3.546 20 0 GHADLP c1csc(-c2nc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)co2)c1 ZINC000182952341 880044033 /nfs/dbraw/zinc/04/40/33/880044033.db2.gz HXQLUHREYNDMCU-UHFFFAOYSA-N 2 2 375.538 3.728 20 0 GHADLP O=C1[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000543704984 880538508 /nfs/dbraw/zinc/53/85/08/880538508.db2.gz MIEYBGOKJLALOA-GOSISDBHSA-N 2 2 382.335 3.563 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCCO1 ZINC000453220475 880639366 /nfs/dbraw/zinc/63/93/66/880639366.db2.gz UEZLGFNANJIPMU-GNLZIIPMSA-N 3 2 385.596 3.520 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCCO1 ZINC000453220475 880639367 /nfs/dbraw/zinc/63/93/67/880639367.db2.gz UEZLGFNANJIPMU-GNLZIIPMSA-N 3 2 385.596 3.520 20 0 GHADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCCO1 ZINC000453220475 880639369 /nfs/dbraw/zinc/63/93/69/880639369.db2.gz UEZLGFNANJIPMU-GNLZIIPMSA-N 3 2 385.596 3.520 20 0 GHADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCCO1 ZINC000453220475 880639372 /nfs/dbraw/zinc/63/93/72/880639372.db2.gz UEZLGFNANJIPMU-GNLZIIPMSA-N 3 2 385.596 3.520 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC12CC([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C2 ZINC001183498190 912593340 /nfs/dbraw/zinc/59/33/40/912593340.db2.gz DOTVBHBRKJQZFX-IDPGXWOASA-N 2 2 382.508 3.660 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000453270872 880712350 /nfs/dbraw/zinc/71/23/50/880712350.db2.gz RUMWFUSXVPHNSC-MGPUTAFESA-N 2 2 377.891 3.753 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000453270872 880712370 /nfs/dbraw/zinc/71/23/70/880712370.db2.gz RUMWFUSXVPHNSC-MGPUTAFESA-N 2 2 377.891 3.753 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCc4ccc(O)cc43)CC2)cc1 ZINC000453323285 880795234 /nfs/dbraw/zinc/79/52/34/880795234.db2.gz JGXZZAYBHRIODN-XMMPIXPASA-N 2 2 393.531 3.982 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](c3cncc(F)c3)C3CC3)CC2)cc1 ZINC000453326589 880797944 /nfs/dbraw/zinc/79/79/44/880797944.db2.gz NMTNKGAZOKJSNC-HSZRJFAPSA-N 2 2 396.510 3.884 20 0 GHADLP C[C@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531942536 880799554 /nfs/dbraw/zinc/79/95/54/880799554.db2.gz ZKOMDBUFZZKMQI-PGRDOPGGSA-N 2 2 378.520 3.801 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Br)ccc3OC(F)F)CC[C@@H]21 ZINC000531988580 880841831 /nfs/dbraw/zinc/84/18/31/880841831.db2.gz CZTQRMQVNWBNIO-DOMZBBRYSA-N 2 2 389.284 3.967 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Br)ccc3OC(F)F)CC[C@@H]21 ZINC000531988580 880841847 /nfs/dbraw/zinc/84/18/47/880841847.db2.gz CZTQRMQVNWBNIO-DOMZBBRYSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Br)ccc3OC(F)F)CC[C@@H]21 ZINC000531988580 880841863 /nfs/dbraw/zinc/84/18/63/880841863.db2.gz CZTQRMQVNWBNIO-DOMZBBRYSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3OC(F)F)CC[C@@H]21 ZINC000531988580 880841874 /nfs/dbraw/zinc/84/18/74/880841874.db2.gz CZTQRMQVNWBNIO-DOMZBBRYSA-N 2 2 389.284 3.967 20 0 GHADLP Cc1cc(Br)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000453562538 881011921 /nfs/dbraw/zinc/01/19/21/881011921.db2.gz BYSQMGQTLCVVQL-HZPDHXFCSA-N 2 2 387.387 3.677 20 0 GHADLP Cc1c(Cl)cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000119993901 881247988 /nfs/dbraw/zinc/24/79/88/881247988.db2.gz NSKSPRFVZWNDPW-UHFFFAOYSA-N 2 2 399.366 3.982 20 0 GHADLP COc1ccc(OC)c(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000181779475 883184083 /nfs/dbraw/zinc/18/40/83/883184083.db2.gz ADNXZZQBEPRVRL-GCJKJVERSA-N 2 2 383.536 3.532 20 0 GHADLP COc1ccc(OC)c(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000181779475 883184088 /nfs/dbraw/zinc/18/40/88/883184088.db2.gz ADNXZZQBEPRVRL-GCJKJVERSA-N 2 2 383.536 3.532 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1F ZINC000135295868 883290298 /nfs/dbraw/zinc/29/02/98/883290298.db2.gz NFZHYHDEOURNML-JOCHJYFZSA-N 2 2 383.511 3.731 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCC(=O)N2 ZINC000551394653 883804197 /nfs/dbraw/zinc/80/41/97/883804197.db2.gz KWOUMZJDNHDKMT-XMSQKQJNSA-N 2 2 393.531 3.513 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCC(=O)N2 ZINC000551394653 883804208 /nfs/dbraw/zinc/80/42/08/883804208.db2.gz KWOUMZJDNHDKMT-XMSQKQJNSA-N 2 2 393.531 3.513 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429546403 884021520 /nfs/dbraw/zinc/02/15/20/884021520.db2.gz HQOAFGCLYNLNHO-KNQAVFIVSA-N 2 2 379.548 3.697 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429546403 884021528 /nfs/dbraw/zinc/02/15/28/884021528.db2.gz HQOAFGCLYNLNHO-KNQAVFIVSA-N 2 2 379.548 3.697 20 0 GHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)C[C@@H]1c1ccccc1 ZINC000556177959 884024061 /nfs/dbraw/zinc/02/40/61/884024061.db2.gz RSWIWUKKENUEOB-IEBWSBKVSA-N 2 2 392.952 3.669 20 0 GHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)C[C@@H]1c1ccccc1 ZINC000556177959 884024081 /nfs/dbraw/zinc/02/40/81/884024081.db2.gz RSWIWUKKENUEOB-IEBWSBKVSA-N 2 2 392.952 3.669 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](C[C@@H]3CCOC3)c3ccc(F)cc3)[nH+]c2)C1 ZINC000494831000 884030781 /nfs/dbraw/zinc/03/07/81/884030781.db2.gz WOQTUSMGTWGRMC-MTNREXPMSA-N 2 2 398.526 3.941 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000191961157 884223499 /nfs/dbraw/zinc/22/34/99/884223499.db2.gz SCWAZEMZYPVJFY-UHFFFAOYSA-N 2 2 380.517 3.637 20 0 GHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000494997324 884350059 /nfs/dbraw/zinc/35/00/59/884350059.db2.gz NNUMVXJPODWVSS-AWEZNQCLSA-N 2 2 381.307 3.555 20 0 GHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000494997324 884350074 /nfs/dbraw/zinc/35/00/74/884350074.db2.gz NNUMVXJPODWVSS-AWEZNQCLSA-N 2 2 381.307 3.555 20 0 GHADLP C[N@@H+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@H](c2ccccc2)C1 ZINC000250375516 884601407 /nfs/dbraw/zinc/60/14/07/884601407.db2.gz KIPNYIPQLVZIGR-RTWAWAEBSA-N 2 2 396.535 3.505 20 0 GHADLP C[N@H+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@H](c2ccccc2)C1 ZINC000250375516 884601415 /nfs/dbraw/zinc/60/14/15/884601415.db2.gz KIPNYIPQLVZIGR-RTWAWAEBSA-N 2 2 396.535 3.505 20 0 GHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+]([C@H]4CCCc5ccccc54)C3)CC2)nc1 ZINC000498581296 884926611 /nfs/dbraw/zinc/92/66/11/884926611.db2.gz WGKSSPOSYUYQET-URXFXBBRSA-N 2 2 390.575 3.993 20 0 GHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+]([C@H]4CCCc5ccccc54)C3)CC2)nc1 ZINC000498581296 884926636 /nfs/dbraw/zinc/92/66/36/884926636.db2.gz WGKSSPOSYUYQET-URXFXBBRSA-N 2 2 390.575 3.993 20 0 GHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c2ccccc21 ZINC000643470424 885057015 /nfs/dbraw/zinc/05/70/15/885057015.db2.gz SOIBHMXZIGLWEO-FGTMMUONSA-N 2 2 375.394 3.545 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC(C3CCCC3)C3CCCC3)CC2)CC1 ZINC000117965063 885230420 /nfs/dbraw/zinc/23/04/20/885230420.db2.gz XYUOWJDEHZITHK-UHFFFAOYSA-N 2 2 390.616 3.593 20 0 GHADLP OC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC001183957570 912926165 /nfs/dbraw/zinc/92/61/65/912926165.db2.gz CNZIYBZZGAMUDA-FQEVSTJZSA-N 2 2 378.438 3.993 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Br)cc1F ZINC000655768056 885474390 /nfs/dbraw/zinc/47/43/90/885474390.db2.gz OMJCDFUWVWTOJM-CZUORRHYSA-N 2 2 385.321 3.882 20 0 GHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCc4c3cccc4Cl)cc2)CC1 ZINC000532448083 885497713 /nfs/dbraw/zinc/49/77/13/885497713.db2.gz IFVRKKVCSMNTNI-NRFANRHFSA-N 2 2 383.923 3.505 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000532449959 885512468 /nfs/dbraw/zinc/51/24/68/885512468.db2.gz MHAFSICBPQGLAE-CABCVRRESA-N 2 2 382.346 3.630 20 0 GHADLP c1cn(Cc2ccccc2)nc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000556607722 885631194 /nfs/dbraw/zinc/63/11/94/885631194.db2.gz ASPDFMSTHTZDBU-ZKMPZPQNSA-N 2 2 386.543 3.932 20 0 GHADLP c1cn(Cc2ccccc2)nc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556607722 885631225 /nfs/dbraw/zinc/63/12/25/885631225.db2.gz ASPDFMSTHTZDBU-ZKMPZPQNSA-N 2 2 386.543 3.932 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C\c3ccc(SC)s3)CC2)CC1 ZINC000862019252 886054726 /nfs/dbraw/zinc/05/47/26/886054726.db2.gz ONOQLVHTZFPOQY-ALCCZGGFSA-N 2 2 393.622 3.502 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C\c3ccc(SC)s3)CC2)CC1 ZINC000862019252 886054734 /nfs/dbraw/zinc/05/47/34/886054734.db2.gz ONOQLVHTZFPOQY-ALCCZGGFSA-N 2 2 393.622 3.502 20 0 GHADLP COc1ccc2c(C[N@@H+]3CCC[C@H](C[NH+]4CCC(C)CC4)C3)cc(=O)oc2c1 ZINC000118832879 886242823 /nfs/dbraw/zinc/24/28/23/886242823.db2.gz CGCRLFZCAWHJJK-GOSISDBHSA-N 2 2 384.520 3.746 20 0 GHADLP COc1ccc2c(C[N@H+]3CCC[C@H](C[NH+]4CCC(C)CC4)C3)cc(=O)oc2c1 ZINC000118832879 886242842 /nfs/dbraw/zinc/24/28/42/886242842.db2.gz CGCRLFZCAWHJJK-GOSISDBHSA-N 2 2 384.520 3.746 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn(C)nc2Br)CC1 ZINC000862250207 886251754 /nfs/dbraw/zinc/25/17/54/886251754.db2.gz GQSANMJGCCGUHM-OAHLLOKOSA-N 2 2 383.378 3.659 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(C)nc2Br)CC1 ZINC000862250207 886251777 /nfs/dbraw/zinc/25/17/77/886251777.db2.gz GQSANMJGCCGUHM-OAHLLOKOSA-N 2 2 383.378 3.659 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)s1 ZINC000556827093 886272976 /nfs/dbraw/zinc/27/29/76/886272976.db2.gz FIUCADMBQLLCEQ-SFHVURJKSA-N 2 2 394.544 3.836 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)s1 ZINC000556827093 886272994 /nfs/dbraw/zinc/27/29/94/886272994.db2.gz FIUCADMBQLLCEQ-SFHVURJKSA-N 2 2 394.544 3.836 20 0 GHADLP Cc1ccc(F)cc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000119347312 886562908 /nfs/dbraw/zinc/56/29/08/886562908.db2.gz MSTWNRSLEUCULI-RTWAWAEBSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1ccc(F)cc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000119347312 886562916 /nfs/dbraw/zinc/56/29/16/886562916.db2.gz MSTWNRSLEUCULI-RTWAWAEBSA-N 2 2 390.547 3.935 20 0 GHADLP COc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc2c1OCCO2 ZINC000119314096 886582712 /nfs/dbraw/zinc/58/27/12/886582712.db2.gz UYZCMGKWUAAYMM-UHFFFAOYSA-N 2 2 382.504 3.563 20 0 GHADLP COc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc2c1OCCO2 ZINC000119314096 886582715 /nfs/dbraw/zinc/58/27/15/886582715.db2.gz UYZCMGKWUAAYMM-UHFFFAOYSA-N 2 2 382.504 3.563 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000057614470 886772341 /nfs/dbraw/zinc/77/23/41/886772341.db2.gz ROYLEHUSPVPDCQ-HXUWFJFHSA-N 2 2 396.535 3.513 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000057614470 886772349 /nfs/dbraw/zinc/77/23/49/886772349.db2.gz ROYLEHUSPVPDCQ-HXUWFJFHSA-N 2 2 396.535 3.513 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001184251145 913099714 /nfs/dbraw/zinc/09/97/14/913099714.db2.gz LFRHCBUYSZKIRK-IPMKNSEASA-N 2 2 379.589 3.876 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001184251145 913099726 /nfs/dbraw/zinc/09/97/26/913099726.db2.gz LFRHCBUYSZKIRK-IPMKNSEASA-N 2 2 379.589 3.876 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CSc1ccc(C(C)(C)C)cc1 ZINC000495802926 887119296 /nfs/dbraw/zinc/11/92/96/887119296.db2.gz DYENPGDQAIIAQR-UHFFFAOYSA-N 2 2 391.625 3.561 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CSc1ccc(C(C)(C)C)cc1 ZINC000495802926 887119305 /nfs/dbraw/zinc/11/93/05/887119305.db2.gz DYENPGDQAIIAQR-UHFFFAOYSA-N 2 2 391.625 3.561 20 0 GHADLP COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000459337620 887462893 /nfs/dbraw/zinc/46/28/93/887462893.db2.gz BFXHSZDKPJAWIO-UHFFFAOYSA-N 2 2 382.548 3.949 20 0 GHADLP COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000459337620 887462903 /nfs/dbraw/zinc/46/29/03/887462903.db2.gz BFXHSZDKPJAWIO-UHFFFAOYSA-N 2 2 382.548 3.949 20 0 GHADLP Cn1c[nH+]cc1CC[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000459379273 888451259 /nfs/dbraw/zinc/45/12/59/888451259.db2.gz PGMIOMLBTVHKJW-UHFFFAOYSA-N 2 2 381.307 3.620 20 0 GHADLP Clc1ccccc1COc1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000729684625 888703822 /nfs/dbraw/zinc/70/38/22/888703822.db2.gz UQBFGHIGWZAPAH-TZIWHRDSSA-N 2 2 386.923 3.872 20 0 GHADLP Clc1ccccc1COc1cccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000729684625 888703830 /nfs/dbraw/zinc/70/38/30/888703830.db2.gz UQBFGHIGWZAPAH-TZIWHRDSSA-N 2 2 386.923 3.872 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC[N@@H+]1C ZINC000123336075 888777037 /nfs/dbraw/zinc/77/70/37/888777037.db2.gz JQERVZRZAYYNRS-UYAOXDASSA-N 2 2 393.531 3.661 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC[N@H+]1C ZINC000123336075 888777047 /nfs/dbraw/zinc/77/70/47/888777047.db2.gz JQERVZRZAYYNRS-UYAOXDASSA-N 2 2 393.531 3.661 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC[NH+]1C ZINC000123336075 888777059 /nfs/dbraw/zinc/77/70/59/888777059.db2.gz JQERVZRZAYYNRS-UYAOXDASSA-N 2 2 393.531 3.661 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC[NH+]1C ZINC000123336075 888777069 /nfs/dbraw/zinc/77/70/69/888777069.db2.gz JQERVZRZAYYNRS-UYAOXDASSA-N 2 2 393.531 3.661 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c(C)c1 ZINC000532753785 888885574 /nfs/dbraw/zinc/88/55/74/888885574.db2.gz GRIWLRCLDUDLTI-NRFANRHFSA-N 2 2 397.567 3.757 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)c(C)c1 ZINC000532753785 888885587 /nfs/dbraw/zinc/88/55/87/888885587.db2.gz GRIWLRCLDUDLTI-NRFANRHFSA-N 2 2 397.567 3.757 20 0 GHADLP c1nnc([C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)[nH]1 ZINC000866469090 888896058 /nfs/dbraw/zinc/89/60/58/888896058.db2.gz FWWWTISFCRQZNT-QFIPXVFZSA-N 2 2 375.520 3.786 20 0 GHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000465527377 889247866 /nfs/dbraw/zinc/24/78/66/889247866.db2.gz VTVXUPYWCVBREU-WOJBJXKFSA-N 2 2 392.632 3.841 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Br)ccc2OC(F)F)CC[N@@H+]1C ZINC000123913773 889443536 /nfs/dbraw/zinc/44/35/36/889443536.db2.gz YDJXLJSABDZUGN-RISCZKNCSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Br)ccc2OC(F)F)CC[N@H+]1C ZINC000123913773 889443539 /nfs/dbraw/zinc/44/35/39/889443539.db2.gz YDJXLJSABDZUGN-RISCZKNCSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Br)ccc2OC(F)F)CC[NH+]1C ZINC000123913773 889443547 /nfs/dbraw/zinc/44/35/47/889443547.db2.gz YDJXLJSABDZUGN-RISCZKNCSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)ccc2OC(F)F)CC[NH+]1C ZINC000123913773 889443552 /nfs/dbraw/zinc/44/35/52/889443552.db2.gz YDJXLJSABDZUGN-RISCZKNCSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124296788 889581139 /nfs/dbraw/zinc/58/11/39/889581139.db2.gz MERSODWTQVCXOG-GFCCVEGCSA-N 2 2 388.821 3.904 20 0 GHADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124296788 889581151 /nfs/dbraw/zinc/58/11/51/889581151.db2.gz MERSODWTQVCXOG-GFCCVEGCSA-N 2 2 388.821 3.904 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000122345781 889658925 /nfs/dbraw/zinc/65/89/25/889658925.db2.gz XVXRNGNVIIWCHV-CBZJRKILSA-N 2 2 385.577 3.810 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000124652446 889710879 /nfs/dbraw/zinc/71/08/79/889710879.db2.gz UWYVHQSFGLPGCW-SFTDATJTSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000124652446 889710885 /nfs/dbraw/zinc/71/08/85/889710885.db2.gz UWYVHQSFGLPGCW-SFTDATJTSA-N 2 2 375.532 3.543 20 0 GHADLP CN(C(=O)Cc1c[nH]c2ccccc12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124753754 889749713 /nfs/dbraw/zinc/74/97/13/889749713.db2.gz IOFQEAVFOCECHB-GOTSBHOMSA-N 2 2 396.579 3.506 20 0 GHADLP CN(C(=O)Cc1c[nH]c2ccccc12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124753754 889749723 /nfs/dbraw/zinc/74/97/23/889749723.db2.gz IOFQEAVFOCECHB-GOTSBHOMSA-N 2 2 396.579 3.506 20 0 GHADLP Cc1cc(F)cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124789385 889762710 /nfs/dbraw/zinc/76/27/10/889762710.db2.gz SEXCSLGSJTYKTA-NHCUHLMSSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1cc(F)cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124789385 889762718 /nfs/dbraw/zinc/76/27/18/889762718.db2.gz SEXCSLGSJTYKTA-NHCUHLMSSA-N 2 2 375.532 3.543 20 0 GHADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C1 ZINC000533106739 889782756 /nfs/dbraw/zinc/78/27/56/889782756.db2.gz YWYIOWLOGHXTHP-UNMCSNQZSA-N 2 2 397.950 3.525 20 0 GHADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C1 ZINC000533106739 889782769 /nfs/dbraw/zinc/78/27/69/889782769.db2.gz YWYIOWLOGHXTHP-UNMCSNQZSA-N 2 2 397.950 3.525 20 0 GHADLP CN(C(=O)c1ccc2ccccc2n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124848560 889789433 /nfs/dbraw/zinc/78/94/33/889789433.db2.gz FCAZTCVMKPAKBD-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccc2ccccc2n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124848560 889789442 /nfs/dbraw/zinc/78/94/42/889789442.db2.gz FCAZTCVMKPAKBD-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@@H](O)Cn1c3ccccc3c3ccccc31)CCC2 ZINC000644606199 913396952 /nfs/dbraw/zinc/39/69/52/913396952.db2.gz UHGKQUOEERIRQL-RBUKOAKNSA-N 2 2 388.515 3.828 20 0 GHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000125483802 890012472 /nfs/dbraw/zinc/01/24/72/890012472.db2.gz LHNKORSMMIRZKO-GOSISDBHSA-N 2 2 378.314 3.808 20 0 GHADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000125483802 890012486 /nfs/dbraw/zinc/01/24/86/890012486.db2.gz LHNKORSMMIRZKO-GOSISDBHSA-N 2 2 378.314 3.808 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cc(F)c(F)c(F)c1 ZINC000126696177 890652668 /nfs/dbraw/zinc/65/26/68/890652668.db2.gz IGYNYSGZAKRMIZ-HNNXBMFYSA-N 2 2 377.454 3.702 20 0 GHADLP CC(C)c1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000533646978 891038520 /nfs/dbraw/zinc/03/85/20/891038520.db2.gz HLSIAFGPGNPIRF-VXKWHMMOSA-N 2 2 386.584 3.614 20 0 GHADLP CC(C)c1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000533646978 891038529 /nfs/dbraw/zinc/03/85/29/891038529.db2.gz HLSIAFGPGNPIRF-VXKWHMMOSA-N 2 2 386.584 3.614 20 0 GHADLP CC[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000533664131 891073283 /nfs/dbraw/zinc/07/32/83/891073283.db2.gz IYUFIKAQHUVVIH-KIZRIRGWSA-N 2 2 392.632 3.934 20 0 GHADLP CC[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000533664131 891073296 /nfs/dbraw/zinc/07/32/96/891073296.db2.gz IYUFIKAQHUVVIH-KIZRIRGWSA-N 2 2 392.632 3.934 20 0 GHADLP FC(F)Oc1cccc([C@H]2C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)c1 ZINC000873208337 891523868 /nfs/dbraw/zinc/52/38/68/891523868.db2.gz UBJJJERDNVARIV-QGZVFWFLSA-N 2 2 380.460 3.569 20 0 GHADLP FC(F)Oc1cccc([C@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)c1 ZINC000873208337 891523880 /nfs/dbraw/zinc/52/38/80/891523880.db2.gz UBJJJERDNVARIV-QGZVFWFLSA-N 2 2 380.460 3.569 20 0 GHADLP O=c1oc2cc(Cl)ccc2n1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000917444790 892010567 /nfs/dbraw/zinc/01/05/67/892010567.db2.gz NPTYUEDMTKLGJP-UHFFFAOYSA-N 2 2 377.916 3.793 20 0 GHADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000874244569 892052072 /nfs/dbraw/zinc/05/20/72/892052072.db2.gz MFGLIUIDVUXWGQ-QGZVFWFLSA-N 2 2 386.462 3.538 20 0 GHADLP Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000497715704 892253378 /nfs/dbraw/zinc/25/33/78/892253378.db2.gz YBLGDLHQCNBNGG-UHFFFAOYSA-N 2 2 399.292 3.672 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000262677924 892855077 /nfs/dbraw/zinc/85/50/77/892855077.db2.gz UVHCFYFAUHHGMB-IDVKNYFZSA-N 2 2 381.520 3.570 20 0 GHADLP CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459464772 893578916 /nfs/dbraw/zinc/57/89/16/893578916.db2.gz MQHDIBFHGNPFOP-NRFANRHFSA-N 2 2 381.520 3.593 20 0 GHADLP [NH3+][C@H](C[C@@H]1CCCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1)C1CCCC1 ZINC000877443076 893603836 /nfs/dbraw/zinc/60/38/36/893603836.db2.gz BVJNMAGAXOOFFS-USXIJHARSA-N 2 2 386.462 3.523 20 0 GHADLP O=C1[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCCN1c1ccc(Cl)cc1Cl ZINC000459495706 893622828 /nfs/dbraw/zinc/62/28/28/893622828.db2.gz MNRDEWDCEWFBHQ-QGZVFWFLSA-N 2 2 382.335 3.705 20 0 GHADLP CCOc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc(Br)c1O ZINC000459533281 893751157 /nfs/dbraw/zinc/75/11/57/893751157.db2.gz SLEISZNHRFNHLW-UHFFFAOYSA-N 2 2 383.330 3.660 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)Nc1ccn2cc[nH+]c2c1 ZINC000563481894 893792111 /nfs/dbraw/zinc/79/21/11/893792111.db2.gz BWHLWPSTEAUKBH-IBGZPJMESA-N 2 2 377.492 3.758 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1ccn2cc[nH+]c2c1 ZINC000563481894 893792120 /nfs/dbraw/zinc/79/21/20/893792120.db2.gz BWHLWPSTEAUKBH-IBGZPJMESA-N 2 2 377.492 3.758 20 0 GHADLP CCc1ccc([C@H](NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)c2cccs2)cc1 ZINC000537017483 894197179 /nfs/dbraw/zinc/19/71/79/894197179.db2.gz ZVPVDLYEVCZDID-QFIPXVFZSA-N 2 2 396.560 3.735 20 0 GHADLP CCc1ccc([C@H](NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)c2cccs2)cc1 ZINC000537017483 894197189 /nfs/dbraw/zinc/19/71/89/894197189.db2.gz ZVPVDLYEVCZDID-QFIPXVFZSA-N 2 2 396.560 3.735 20 0 GHADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001135272005 894280153 /nfs/dbraw/zinc/28/01/53/894280153.db2.gz CGHJFOKSSWUUME-UHFFFAOYSA-N 2 2 380.536 3.720 20 0 GHADLP C[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCC1(F)F ZINC000563918805 894326708 /nfs/dbraw/zinc/32/67/08/894326708.db2.gz GZZBNXCGTZZCPE-QAPCUYQASA-N 2 2 399.913 3.570 20 0 GHADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCC1(F)F ZINC000563918805 894326721 /nfs/dbraw/zinc/32/67/21/894326721.db2.gz GZZBNXCGTZZCPE-QAPCUYQASA-N 2 2 399.913 3.570 20 0 GHADLP CC(C)CC[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)C ZINC000537291278 894713418 /nfs/dbraw/zinc/71/34/18/894713418.db2.gz OQNFDVVCKRORIT-NRFANRHFSA-N 2 2 389.584 3.898 20 0 GHADLP COC(=O)c1cc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c(C)s1 ZINC000564294584 894830527 /nfs/dbraw/zinc/83/05/27/894830527.db2.gz ZYECCRQVRJOWGX-UHFFFAOYSA-N 2 2 381.501 3.714 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1C1CC1 ZINC000564318353 894857613 /nfs/dbraw/zinc/85/76/13/894857613.db2.gz VVSRFRUNGYVRNY-PXNSSMCTSA-N 2 2 393.531 3.888 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1C1CC1 ZINC000564318353 894857618 /nfs/dbraw/zinc/85/76/18/894857618.db2.gz VVSRFRUNGYVRNY-PXNSSMCTSA-N 2 2 393.531 3.888 20 0 GHADLP CN(C(=O)CC(C)(C)CC(F)F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000879290083 894955694 /nfs/dbraw/zinc/95/56/94/894955694.db2.gz AGXPCEQADUDKMK-ZWKOTPCHSA-N 2 2 387.559 3.854 20 0 GHADLP CN(C(=O)CC(C)(C)CC(F)F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000879290083 894955709 /nfs/dbraw/zinc/95/57/09/894955709.db2.gz AGXPCEQADUDKMK-ZWKOTPCHSA-N 2 2 387.559 3.854 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc2c(c1)OCCCO2 ZINC000537455898 895033092 /nfs/dbraw/zinc/03/30/92/895033092.db2.gz LRBLOOUOTOUPFV-VQIMIIECSA-N 2 2 382.508 3.556 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000666868579 895117648 /nfs/dbraw/zinc/11/76/48/895117648.db2.gz YLGYLFGAXAEPQU-LJQANCHMSA-N 2 2 378.451 3.830 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000564934498 895312897 /nfs/dbraw/zinc/31/28/97/895312897.db2.gz NWCZMJJLJCYMCZ-IRFCIJBXSA-N 2 2 389.902 3.821 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000564934498 895312911 /nfs/dbraw/zinc/31/29/11/895312911.db2.gz NWCZMJJLJCYMCZ-IRFCIJBXSA-N 2 2 389.902 3.821 20 0 GHADLP C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000565155009 895429587 /nfs/dbraw/zinc/42/95/87/895429587.db2.gz FFOVHEHETDEKSY-GQWLDOHISA-N 2 2 394.906 3.706 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261071 895598257 /nfs/dbraw/zinc/59/82/57/895598257.db2.gz HQSNGCQTPNSZMQ-CABCVRRESA-N 2 2 392.425 3.638 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261071 895598261 /nfs/dbraw/zinc/59/82/61/895598261.db2.gz HQSNGCQTPNSZMQ-CABCVRRESA-N 2 2 392.425 3.638 20 0 GHADLP Brc1csc([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)n1 ZINC000817574903 895743614 /nfs/dbraw/zinc/74/36/14/895743614.db2.gz DKHVCKLDWAMALT-HNNXBMFYSA-N 2 2 381.343 3.722 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C(C)=C/c3ccccc3Cl)CC2)CC1 ZINC000817657162 895792827 /nfs/dbraw/zinc/79/28/27/895792827.db2.gz WFBFRTGWUUDBNV-ISLYRVAYSA-N 2 2 389.971 3.762 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C(C)=C/c3ccccc3Cl)CC2)CC1 ZINC000817657162 895792841 /nfs/dbraw/zinc/79/28/41/895792841.db2.gz WFBFRTGWUUDBNV-ISLYRVAYSA-N 2 2 389.971 3.762 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(C)c1 ZINC000565734430 895839404 /nfs/dbraw/zinc/83/94/04/895839404.db2.gz AESJYZOSYBIICX-HJNYFJLDSA-N 2 2 395.551 3.509 20 0 GHADLP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000817955032 895976985 /nfs/dbraw/zinc/97/69/85/895976985.db2.gz PBFKCISYPHOIDR-LAUBAEHRSA-N 2 2 379.504 3.521 20 0 GHADLP Brc1ccc2c(c1)C[C@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)CC2 ZINC001170891255 896076013 /nfs/dbraw/zinc/07/60/13/896076013.db2.gz ZYQDPMPHAZYOSS-LJQANCHMSA-N 2 2 386.337 3.960 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)N(C)c3ccccc3)C2)s1 ZINC000566306346 896228756 /nfs/dbraw/zinc/22/87/56/896228756.db2.gz NAPJOZCQRWVAHE-MOPGFXCFSA-N 2 2 385.577 3.862 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)N(C)c3ccccc3)C2)s1 ZINC000566306346 896228770 /nfs/dbraw/zinc/22/87/70/896228770.db2.gz NAPJOZCQRWVAHE-MOPGFXCFSA-N 2 2 385.577 3.862 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)N(C)c3ccccc3)C2)s1 ZINC000566306346 896228781 /nfs/dbraw/zinc/22/87/81/896228781.db2.gz NAPJOZCQRWVAHE-MOPGFXCFSA-N 2 2 385.577 3.862 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)N(C)c3ccccc3)C2)s1 ZINC000566306346 896228792 /nfs/dbraw/zinc/22/87/92/896228792.db2.gz NAPJOZCQRWVAHE-MOPGFXCFSA-N 2 2 385.577 3.862 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000818981875 896300565 /nfs/dbraw/zinc/30/05/65/896300565.db2.gz ZUGQYPUPHINNIC-IBGZPJMESA-N 2 2 375.394 3.584 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000819182758 896452397 /nfs/dbraw/zinc/45/23/97/896452397.db2.gz HZFHUGPSYMOMMU-FOIQADDNSA-N 2 2 393.453 3.949 20 0 GHADLP Fc1ccc(NC2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000566836646 896618633 /nfs/dbraw/zinc/61/86/33/896618633.db2.gz WHJBFLBXFHKBSU-XMMPIXPASA-N 2 2 397.538 3.993 20 0 GHADLP Fc1ccc(NC2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000566836646 896618639 /nfs/dbraw/zinc/61/86/39/896618639.db2.gz WHJBFLBXFHKBSU-XMMPIXPASA-N 2 2 397.538 3.993 20 0 GHADLP CCOc1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000567291044 897038168 /nfs/dbraw/zinc/03/81/68/897038168.db2.gz SBFNKSAZAUGAQL-UHFFFAOYSA-N 2 2 398.547 3.601 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)CC[N@@H+]1C ZINC000883281665 897442193 /nfs/dbraw/zinc/44/21/93/897442193.db2.gz UKOQWAVOTGNZIS-CRAIPNDOSA-N 2 2 375.513 3.711 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)CC[N@H+]1C ZINC000883281665 897442200 /nfs/dbraw/zinc/44/22/00/897442200.db2.gz UKOQWAVOTGNZIS-CRAIPNDOSA-N 2 2 375.513 3.711 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)CC[NH+]1C ZINC000883281665 897442204 /nfs/dbraw/zinc/44/22/04/897442204.db2.gz UKOQWAVOTGNZIS-CRAIPNDOSA-N 2 2 375.513 3.711 20 0 GHADLP C[C@@H]1C[C@H]([N@H+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)CC[NH+]1C ZINC000883281665 897442208 /nfs/dbraw/zinc/44/22/08/897442208.db2.gz UKOQWAVOTGNZIS-CRAIPNDOSA-N 2 2 375.513 3.711 20 0 GHADLP c1cn(-c2csc(CNc3ccc(N4CC[N@@H+]5CCC[C@H]5C4)cc3)c2)c[nH+]1 ZINC000883346268 897516010 /nfs/dbraw/zinc/51/60/10/897516010.db2.gz WDIZXNZBBDQRTE-IBGZPJMESA-N 2 2 379.533 3.830 20 0 GHADLP c1cn(-c2csc(CNc3ccc(N4CC[N@H+]5CCC[C@H]5C4)cc3)c2)c[nH+]1 ZINC000883346268 897516021 /nfs/dbraw/zinc/51/60/21/897516021.db2.gz WDIZXNZBBDQRTE-IBGZPJMESA-N 2 2 379.533 3.830 20 0 GHADLP CC(C)(C)OC(=O)c1ccccc1OCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000805754700 897522044 /nfs/dbraw/zinc/52/20/44/897522044.db2.gz ZSQGPEFMRAJIPE-GOSISDBHSA-N 2 2 384.476 3.569 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386146 897549189 /nfs/dbraw/zinc/54/91/89/897549189.db2.gz AIGNPWHTLVUNMW-IERDGZPVSA-N 2 2 378.476 3.942 20 0 GHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000883387576 897550297 /nfs/dbraw/zinc/55/02/97/897550297.db2.gz ZUXVCDYDRSHSMC-AUSIDOKSSA-N 2 2 376.504 3.812 20 0 GHADLP COc1ccccc1N1CCC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883389589 897553340 /nfs/dbraw/zinc/55/33/40/897553340.db2.gz UGEROQDQGCNBAS-OAQYLSRUSA-N 2 2 376.504 3.892 20 0 GHADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001136393888 897617564 /nfs/dbraw/zinc/61/75/64/897617564.db2.gz BCAZHADPSRQJRR-FUHIMQAGSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001136393888 897617569 /nfs/dbraw/zinc/61/75/69/897617569.db2.gz BCAZHADPSRQJRR-FUHIMQAGSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001136393888 897617571 /nfs/dbraw/zinc/61/75/71/897617571.db2.gz BCAZHADPSRQJRR-FUHIMQAGSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001136393888 897617573 /nfs/dbraw/zinc/61/75/73/897617573.db2.gz BCAZHADPSRQJRR-FUHIMQAGSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000568809142 898120256 /nfs/dbraw/zinc/12/02/56/898120256.db2.gz RKMXTGOAYFMPAL-RBBKRZOGSA-N 2 2 394.563 3.587 20 0 GHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000568809142 898120270 /nfs/dbraw/zinc/12/02/70/898120270.db2.gz RKMXTGOAYFMPAL-RBBKRZOGSA-N 2 2 394.563 3.587 20 0 GHADLP Cc1cccc(CC[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000568979305 898254928 /nfs/dbraw/zinc/25/49/28/898254928.db2.gz BVPHLVPJTRGBCI-UHFFFAOYSA-N 2 2 389.297 3.687 20 0 GHADLP Cc1cccc(CC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000568979305 898254944 /nfs/dbraw/zinc/25/49/44/898254944.db2.gz BVPHLVPJTRGBCI-UHFFFAOYSA-N 2 2 389.297 3.687 20 0 GHADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CN1C(=O)OC(C)(C)C ZINC000822450564 898379752 /nfs/dbraw/zinc/37/97/52/898379752.db2.gz ABOVUYFJXMWNRT-XLIONFOSSA-N 2 2 384.524 3.809 20 0 GHADLP C[NH+](C)CCN(CCc1ccccc1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000822612783 898501154 /nfs/dbraw/zinc/50/11/54/898501154.db2.gz LQSMJFKEEUUGQV-JOCHJYFZSA-N 2 2 390.531 3.565 20 0 GHADLP C[NH+](C)CCCOc1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000111108261 898780454 /nfs/dbraw/zinc/78/04/54/898780454.db2.gz UPKRINUADWYWMF-UHFFFAOYSA-N 2 2 378.476 3.514 20 0 GHADLP CC(C)(C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)c1c[nH+]c[nH]1 ZINC000570096191 899121832 /nfs/dbraw/zinc/12/18/32/899121832.db2.gz HFWKHDUUBKSXSB-NRFANRHFSA-N 2 2 394.563 3.837 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3CCC(c4ccccc4)CC3)c2)CC1 ZINC001171051675 899527161 /nfs/dbraw/zinc/52/71/61/899527161.db2.gz PSMPPEKHQHFEGL-UHFFFAOYSA-N 2 2 378.520 3.746 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000824388219 899577430 /nfs/dbraw/zinc/57/74/30/899577430.db2.gz BWKGADBWSYSROE-DENIHFKCSA-N 2 2 388.556 3.632 20 0 GHADLP c1[nH+]c(C2CC[NH+](Cc3csc(-c4ncccn4)n3)CC2)n2c1CCCC2 ZINC000333015209 899893495 /nfs/dbraw/zinc/89/34/95/899893495.db2.gz GTUSWFBQAJNMIT-UHFFFAOYSA-N 2 2 380.521 3.513 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCO[C@@H](c4ccncc4)C3)CC2)cc1 ZINC000824954128 899905890 /nfs/dbraw/zinc/90/58/90/899905890.db2.gz OORHVXGKXIXOFQ-NZQKXSOJSA-N 2 2 380.536 3.626 20 0 GHADLP COc1ccc(-c2nnc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)o2)cc1 ZINC000333100514 899961319 /nfs/dbraw/zinc/96/13/19/899961319.db2.gz CQAGPBZZVDXPHE-UHFFFAOYSA-N 2 2 393.491 3.658 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)N3CCCCCC3)C2)s1 ZINC000572763032 900270527 /nfs/dbraw/zinc/27/05/27/900270527.db2.gz BCVRDPYQHLBVDT-RBUKOAKNSA-N 2 2 377.598 3.601 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)N3CCCCCC3)C2)s1 ZINC000572763032 900270551 /nfs/dbraw/zinc/27/05/51/900270551.db2.gz BCVRDPYQHLBVDT-RBUKOAKNSA-N 2 2 377.598 3.601 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N3CCCCCC3)C2)s1 ZINC000572763032 900270562 /nfs/dbraw/zinc/27/05/62/900270562.db2.gz BCVRDPYQHLBVDT-RBUKOAKNSA-N 2 2 377.598 3.601 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N3CCCCCC3)C2)s1 ZINC000572763032 900270577 /nfs/dbraw/zinc/27/05/77/900270577.db2.gz BCVRDPYQHLBVDT-RBUKOAKNSA-N 2 2 377.598 3.601 20 0 GHADLP CC(C)c1[nH+]c(CN[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c2ccccn21 ZINC000573096718 900376775 /nfs/dbraw/zinc/37/67/75/900376775.db2.gz GRDVGZVHNDJDPQ-QFIPXVFZSA-N 2 2 391.563 3.536 20 0 GHADLP CN(C)c1cc[nH+]cc1NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC001186307150 914459422 /nfs/dbraw/zinc/45/94/22/914459422.db2.gz BPDGFUGEPJGXPK-HSZRJFAPSA-N 2 2 386.499 3.713 20 0 GHADLP CN(C)c1cc[nH+]cc1NC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC001186307150 914459427 /nfs/dbraw/zinc/45/94/27/914459427.db2.gz BPDGFUGEPJGXPK-HSZRJFAPSA-N 2 2 386.499 3.713 20 0 GHADLP Cc1cc(C)c(NC(=O)N2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c(C)[nH+]1 ZINC000573902773 900696095 /nfs/dbraw/zinc/69/60/95/900696095.db2.gz HRORFHLHRWNACM-UHFFFAOYSA-N 2 2 396.539 3.608 20 0 GHADLP C[NH+]1CCC2(C[NH+](Cc3cc(Br)cc(OC(F)(F)F)c3)C2)CC1 ZINC001144017540 900935175 /nfs/dbraw/zinc/93/51/75/900935175.db2.gz MWRKZFUFBCIUBE-UHFFFAOYSA-N 2 2 393.247 3.875 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000574601644 900942671 /nfs/dbraw/zinc/94/26/71/900942671.db2.gz GBIYMWRWZBPJFW-REWPJTCUSA-N 3 2 396.579 3.555 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000574601644 900942678 /nfs/dbraw/zinc/94/26/78/900942678.db2.gz GBIYMWRWZBPJFW-REWPJTCUSA-N 3 2 396.579 3.555 20 0 GHADLP [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171146291 901147549 /nfs/dbraw/zinc/14/75/49/901147549.db2.gz BFKSNTQZDUREMY-YYWHXJBOSA-N 2 2 390.358 3.652 20 0 GHADLP C[N@H+](Cc1ccc(OC(F)F)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645155 901503630 /nfs/dbraw/zinc/50/36/30/901503630.db2.gz IQXWCWVIAVZWQJ-UHFFFAOYSA-N 2 2 393.453 3.961 20 0 GHADLP C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645155 901503642 /nfs/dbraw/zinc/50/36/42/901503642.db2.gz IQXWCWVIAVZWQJ-UHFFFAOYSA-N 2 2 393.453 3.961 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[N@@H+]1C ZINC000093644977 901556480 /nfs/dbraw/zinc/55/64/80/901556480.db2.gz DRSOBQNOORJMNL-XMSQKQJNSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[N@H+]1C ZINC000093644977 901556528 /nfs/dbraw/zinc/55/65/28/901556528.db2.gz DRSOBQNOORJMNL-XMSQKQJNSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[NH+]1C ZINC000093644977 901556668 /nfs/dbraw/zinc/55/66/68/901556668.db2.gz DRSOBQNOORJMNL-XMSQKQJNSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[NH+]1C ZINC000093644977 901556707 /nfs/dbraw/zinc/55/67/07/901556707.db2.gz DRSOBQNOORJMNL-XMSQKQJNSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[N@@H+]1C ZINC000093644678 901556998 /nfs/dbraw/zinc/55/69/98/901556998.db2.gz DWCBIDAKMWTOFP-WMZHIEFXSA-N 2 2 389.547 3.908 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[N@H+]1C ZINC000093644678 901557002 /nfs/dbraw/zinc/55/70/02/901557002.db2.gz DWCBIDAKMWTOFP-WMZHIEFXSA-N 2 2 389.547 3.908 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[NH+]1C ZINC000093644678 901557014 /nfs/dbraw/zinc/55/70/14/901557014.db2.gz DWCBIDAKMWTOFP-WMZHIEFXSA-N 2 2 389.547 3.908 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[NH+]1C ZINC000093644678 901557026 /nfs/dbraw/zinc/55/70/26/901557026.db2.gz DWCBIDAKMWTOFP-WMZHIEFXSA-N 2 2 389.547 3.908 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000576056627 901624479 /nfs/dbraw/zinc/62/44/79/901624479.db2.gz OZYYBAQJJGOACT-VWNXMTODSA-N 2 2 399.579 3.557 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000576056627 901624490 /nfs/dbraw/zinc/62/44/90/901624490.db2.gz OZYYBAQJJGOACT-VWNXMTODSA-N 2 2 399.579 3.557 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000576056627 901624507 /nfs/dbraw/zinc/62/45/07/901624507.db2.gz OZYYBAQJJGOACT-VWNXMTODSA-N 2 2 399.579 3.557 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000576056627 901624513 /nfs/dbraw/zinc/62/45/13/901624513.db2.gz OZYYBAQJJGOACT-VWNXMTODSA-N 2 2 399.579 3.557 20 0 GHADLP Cc1cc(NC(=O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccc1Br ZINC000576592323 902114179 /nfs/dbraw/zinc/11/41/79/902114179.db2.gz FAQOWGAKPQEQLP-UHFFFAOYSA-N 2 2 399.292 3.672 20 0 GHADLP CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000124893505 902133151 /nfs/dbraw/zinc/13/31/51/902133151.db2.gz FKVIFSZYQDKFCD-FCHUYYIVSA-N 2 2 386.584 3.614 20 0 GHADLP CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000124893505 902133160 /nfs/dbraw/zinc/13/31/60/902133160.db2.gz FKVIFSZYQDKFCD-FCHUYYIVSA-N 2 2 386.584 3.614 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000576763036 902242879 /nfs/dbraw/zinc/24/28/79/902242879.db2.gz LBADRFPKBYCEQX-GOSISDBHSA-N 2 2 376.570 3.865 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000576763036 902242889 /nfs/dbraw/zinc/24/28/89/902242889.db2.gz LBADRFPKBYCEQX-GOSISDBHSA-N 2 2 376.570 3.865 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H](Nc3ccc(N4CCOCC4)c[nH+]3)CC23CC3)cc1 ZINC000577109736 902507923 /nfs/dbraw/zinc/50/79/23/902507923.db2.gz LXSVDCMHSQPFKW-FQEVSTJZSA-N 2 2 378.520 3.527 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H](Nc3ccc(N4CCOCC4)c[nH+]3)CC23CC3)cc1 ZINC000577109736 902507930 /nfs/dbraw/zinc/50/79/30/902507930.db2.gz LXSVDCMHSQPFKW-FQEVSTJZSA-N 2 2 378.520 3.527 20 0 GHADLP Brc1cnc2c(C[NH+]3CCC([NH+]4CCCCC4)CC3)c[nH]c2c1 ZINC001144693666 902673989 /nfs/dbraw/zinc/67/39/89/902673989.db2.gz QHGQGBNPSPGPLA-UHFFFAOYSA-N 2 2 377.330 3.776 20 0 GHADLP Cc1ccc([C@H](CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)[NH+]2CCCC2)o1 ZINC000600985560 903187504 /nfs/dbraw/zinc/18/75/04/903187504.db2.gz ZEMXOEHHCCNSTD-ICSRJNTNSA-N 2 2 389.927 3.797 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C2 ZINC000578035818 903462237 /nfs/dbraw/zinc/46/22/37/903462237.db2.gz UGSDEFOGYNRTKG-QGZVFWFLSA-N 2 2 388.600 3.997 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)CC2 ZINC000578035818 903462243 /nfs/dbraw/zinc/46/22/43/903462243.db2.gz UGSDEFOGYNRTKG-QGZVFWFLSA-N 2 2 388.600 3.997 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000265024966 903567224 /nfs/dbraw/zinc/56/72/24/903567224.db2.gz JOBCNQKZARVYCF-TZIWHRDSSA-N 2 2 380.536 3.658 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000265024966 903567227 /nfs/dbraw/zinc/56/72/27/903567227.db2.gz JOBCNQKZARVYCF-TZIWHRDSSA-N 2 2 380.536 3.658 20 0 GHADLP FC(F)(F)C1(c2ccc(NCc3ccccc3N3CC[NH2+]CC3)[nH+]c2)CC1 ZINC001171281927 903587178 /nfs/dbraw/zinc/58/71/78/903587178.db2.gz UDHYIJWCCYZTHX-UHFFFAOYSA-N 2 2 376.426 3.697 20 0 GHADLP C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000779067323 903777820 /nfs/dbraw/zinc/77/78/20/903777820.db2.gz VARPPPPXWLCYNP-FGTMMUONSA-N 2 2 376.545 3.746 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000779070681 903872867 /nfs/dbraw/zinc/87/28/67/903872867.db2.gz CUEQHIRPGNKQJH-RTBURBONSA-N 2 2 384.524 3.693 20 0 GHADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000578803416 904133342 /nfs/dbraw/zinc/13/33/42/904133342.db2.gz VRSWYEGBWZEIFL-HSZRJFAPSA-N 2 2 375.520 3.754 20 0 GHADLP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000578803416 904133347 /nfs/dbraw/zinc/13/33/47/904133347.db2.gz VRSWYEGBWZEIFL-HSZRJFAPSA-N 2 2 375.520 3.754 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC3CCC(C)CC3)C2)s1 ZINC000579040133 904307899 /nfs/dbraw/zinc/30/78/99/904307899.db2.gz IWSOBDKCCULNHJ-RTRUNKLESA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC3CCC(C)CC3)C2)s1 ZINC000579040133 904307915 /nfs/dbraw/zinc/30/79/15/904307915.db2.gz IWSOBDKCCULNHJ-RTRUNKLESA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NC3CCC(C)CC3)C2)s1 ZINC000579040133 904307929 /nfs/dbraw/zinc/30/79/29/904307929.db2.gz IWSOBDKCCULNHJ-RTRUNKLESA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NC3CCC(C)CC3)C2)s1 ZINC000579040133 904307940 /nfs/dbraw/zinc/30/79/40/904307940.db2.gz IWSOBDKCCULNHJ-RTRUNKLESA-N 2 2 391.625 3.894 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000153416354 904360598 /nfs/dbraw/zinc/36/05/98/904360598.db2.gz NLLBCPOIYROVAQ-JTSKRJEESA-N 2 2 390.487 3.841 20 0 GHADLP Cc1ccc(CC[C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001171655287 904899858 /nfs/dbraw/zinc/89/98/58/904899858.db2.gz HMKATZZPGNOVJR-NRFANRHFSA-N 2 2 382.548 3.817 20 0 GHADLP Cc1ccc(CC[C@@H](C)[NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC001171678505 904919596 /nfs/dbraw/zinc/91/95/96/904919596.db2.gz GRKZSJHHVTTWKF-HXUWFJFHSA-N 2 2 379.552 3.529 20 0 GHADLP C[NH+]1C(C)(C)CC([N@@H+]2CCc3onc(COc4cccnc4)c3C2)CC1(C)C ZINC001171636484 904925683 /nfs/dbraw/zinc/92/56/83/904925683.db2.gz FSSXFXZBMUZPJL-UHFFFAOYSA-N 2 2 384.524 3.658 20 0 GHADLP C[NH+]1C(C)(C)CC([N@H+]2CCc3onc(COc4cccnc4)c3C2)CC1(C)C ZINC001171636484 904925689 /nfs/dbraw/zinc/92/56/89/904925689.db2.gz FSSXFXZBMUZPJL-UHFFFAOYSA-N 2 2 384.524 3.658 20 0 GHADLP COc1ccccc1C[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171725398 904951650 /nfs/dbraw/zinc/95/16/50/904951650.db2.gz KWUORXGGFAMODD-HYBUGGRVSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccccc1C[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171725398 904951659 /nfs/dbraw/zinc/95/16/59/904951659.db2.gz KWUORXGGFAMODD-HYBUGGRVSA-N 2 2 393.575 3.912 20 0 GHADLP CC1(C)C[C@@H](N2CC[NH+](Cc3cccnc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171976499 905222620 /nfs/dbraw/zinc/22/26/20/905222620.db2.gz LQDZNDWTAQNOPW-QHCPKHFHSA-N 2 2 378.564 3.642 20 0 GHADLP CC1(C)C[C@@H](N2CC[NH+](Cc3cccnc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171976499 905222622 /nfs/dbraw/zinc/22/26/22/905222622.db2.gz LQDZNDWTAQNOPW-QHCPKHFHSA-N 2 2 378.564 3.642 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC[NH+](Cc4cccnc4)CC2)C3)cc1 ZINC001172078947 905290683 /nfs/dbraw/zinc/29/06/83/905290683.db2.gz KJLRQQZRDKLASZ-QEIWAGNOSA-N 2 2 390.575 3.785 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC[NH+](Cc4cccnc4)CC2)C3)cc1 ZINC001172078947 905290706 /nfs/dbraw/zinc/29/07/06/905290706.db2.gz KJLRQQZRDKLASZ-QEIWAGNOSA-N 2 2 390.575 3.785 20 0 GHADLP CC1([NH+]2CCOCC2)CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172083338 905295667 /nfs/dbraw/zinc/29/56/67/905295667.db2.gz PHPUDUOAVCXVMU-UBRQYEGLSA-N 2 2 397.607 3.759 20 0 GHADLP CC1([NH+]2CCOCC2)CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172083338 905295679 /nfs/dbraw/zinc/29/56/79/905295679.db2.gz PHPUDUOAVCXVMU-UBRQYEGLSA-N 2 2 397.607 3.759 20 0 GHADLP Cc1ccn2c(c1)nnc2C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069204 905338740 /nfs/dbraw/zinc/33/87/40/905338740.db2.gz RZHOBAFPDUJHDC-WKCHPHFGSA-N 2 2 375.520 3.713 20 0 GHADLP Cc1ccn2c(c1)nnc2C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069204 905338753 /nfs/dbraw/zinc/33/87/53/905338753.db2.gz RZHOBAFPDUJHDC-WKCHPHFGSA-N 2 2 375.520 3.713 20 0 GHADLP Cc1cc(Br)ccc1N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172127159 905341086 /nfs/dbraw/zinc/34/10/86/905341086.db2.gz GZZZJXTWKUNIMN-REPLKXPHSA-N 2 2 392.385 3.895 20 0 GHADLP Cc1cc(Br)ccc1N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172127159 905341105 /nfs/dbraw/zinc/34/11/05/905341105.db2.gz GZZZJXTWKUNIMN-REPLKXPHSA-N 2 2 392.385 3.895 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCN(C(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001172130280 905343253 /nfs/dbraw/zinc/34/32/53/905343253.db2.gz NJNDVHUVCAMXPW-ACDBMABISA-N 2 2 375.944 3.503 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCN(C(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001172130280 905343262 /nfs/dbraw/zinc/34/32/62/905343262.db2.gz NJNDVHUVCAMXPW-ACDBMABISA-N 2 2 375.944 3.503 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCN(C(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001172130280 905343275 /nfs/dbraw/zinc/34/32/75/905343275.db2.gz NJNDVHUVCAMXPW-ACDBMABISA-N 2 2 375.944 3.503 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCN(C(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001172130280 905343294 /nfs/dbraw/zinc/34/32/94/905343294.db2.gz NJNDVHUVCAMXPW-ACDBMABISA-N 2 2 375.944 3.503 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(C(=O)OC(C)(C)C)C3=CCCC[C@@H]31)C2 ZINC001172132022 905343398 /nfs/dbraw/zinc/34/33/98/905343398.db2.gz JDJFYZZDGCKFOM-RDGPPVDQSA-N 2 2 375.557 3.991 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(C(=O)OC(C)(C)C)C3=CCCC[C@@H]31)C2 ZINC001172132022 905343414 /nfs/dbraw/zinc/34/34/14/905343414.db2.gz JDJFYZZDGCKFOM-RDGPPVDQSA-N 2 2 375.557 3.991 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCN(C(=O)OC(C)(C)C)C3=CCCC[C@@H]31)C2 ZINC001172132022 905343435 /nfs/dbraw/zinc/34/34/35/905343435.db2.gz JDJFYZZDGCKFOM-RDGPPVDQSA-N 2 2 375.557 3.991 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCN(C(=O)OC(C)(C)C)C3=CCCC[C@@H]31)C2 ZINC001172132022 905343446 /nfs/dbraw/zinc/34/34/46/905343446.db2.gz JDJFYZZDGCKFOM-RDGPPVDQSA-N 2 2 375.557 3.991 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3ccc(Br)cc3)CC1)C2 ZINC001172115828 905366457 /nfs/dbraw/zinc/36/64/57/905366457.db2.gz BTSJCMVDSWFANA-REPLKXPHSA-N 2 2 378.358 3.586 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3ccc(Br)cc3)CC1)C2 ZINC001172115828 905366474 /nfs/dbraw/zinc/36/64/74/905366474.db2.gz BTSJCMVDSWFANA-REPLKXPHSA-N 2 2 378.358 3.586 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)CC[C@H]2C1 ZINC001172519467 905614112 /nfs/dbraw/zinc/61/41/12/905614112.db2.gz CBLRYRWGYSSNGM-CWBXHPNXSA-N 2 2 395.591 3.924 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)CC[C@H]2C1 ZINC001172519467 905614120 /nfs/dbraw/zinc/61/41/20/905614120.db2.gz CBLRYRWGYSSNGM-CWBXHPNXSA-N 2 2 395.591 3.924 20 0 GHADLP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@@H+]1C1CCC2(CCCC2)CC1 ZINC001172729104 905778491 /nfs/dbraw/zinc/77/84/91/905778491.db2.gz PSARDFQHPWESPP-IBGZPJMESA-N 2 2 385.600 3.510 20 0 GHADLP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@H+]1C1CCC2(CCCC2)CC1 ZINC001172729104 905778505 /nfs/dbraw/zinc/77/85/05/905778505.db2.gz PSARDFQHPWESPP-IBGZPJMESA-N 2 2 385.600 3.510 20 0 GHADLP Cc1cccc([C@@H]2CCCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000176381563 905832902 /nfs/dbraw/zinc/83/29/02/905832902.db2.gz XTIYKGHSJWSUHM-QHCPKHFHSA-N 2 2 398.595 3.709 20 0 GHADLP C[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CN1C(=O)OC(C)(C)C ZINC001173057072 906132102 /nfs/dbraw/zinc/13/21/02/906132102.db2.gz CLEZOZCISKOXTK-DLBZAZTESA-N 2 2 391.531 3.864 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)[nH+]c1 ZINC001173071998 906164057 /nfs/dbraw/zinc/16/40/57/906164057.db2.gz ITTRPPVDYNDQBH-IEBWSBKVSA-N 2 2 388.556 3.736 20 0 GHADLP COc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](Cc3cc(F)ccc3C)CC1)CO2 ZINC001173149283 906236137 /nfs/dbraw/zinc/23/61/37/906236137.db2.gz BPKSWEDCLRSAAO-HXUWFJFHSA-N 2 2 384.495 3.700 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(Br)ccc1F ZINC000178469246 906346600 /nfs/dbraw/zinc/34/66/00/906346600.db2.gz VXICJGJXCYGKSN-UONOGXRCSA-N 2 2 385.321 3.740 20 0 GHADLP Cc1cc(C)c(N2CC[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2=O)c(C)c1 ZINC000190932697 906454980 /nfs/dbraw/zinc/45/49/80/906454980.db2.gz QJIRYMCYOSFOIK-HSZRJFAPSA-N 2 2 391.559 3.971 20 0 GHADLP Cc1cc(Nc2c[nH+]cc(F)c2N2CCC(C(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC001174655015 907153827 /nfs/dbraw/zinc/15/38/27/907153827.db2.gz STWAGSRHPGDJMQ-UHFFFAOYSA-N 2 2 386.471 3.648 20 0 GHADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000183405597 907381930 /nfs/dbraw/zinc/38/19/30/907381930.db2.gz PVONQUAQISZIML-OAHLLOKOSA-N 2 2 397.450 3.722 20 0 GHADLP Brc1cccc2c1C[C@@H]1[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)[C@H]21 ZINC000631663285 907796278 /nfs/dbraw/zinc/79/62/78/907796278.db2.gz XIEBJNAOPBZTHX-PWIZWCRZSA-N 2 2 384.321 3.741 20 0 GHADLP CN(C(=O)c1ccc2cccnc2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000632101190 907937518 /nfs/dbraw/zinc/93/75/18/907937518.db2.gz RDAZHDZGHFYSLC-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccc2cccnc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000632101190 907937529 /nfs/dbraw/zinc/93/75/29/907937529.db2.gz RDAZHDZGHFYSLC-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C)c1cc2ccccc2o1 ZINC001176274273 908008412 /nfs/dbraw/zinc/00/84/12/908008412.db2.gz TURVSWJUGLURNC-BZSNNMDCSA-N 2 2 392.503 3.604 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C)c1cc2ccccc2o1 ZINC001176274273 908008431 /nfs/dbraw/zinc/00/84/31/908008431.db2.gz TURVSWJUGLURNC-BZSNNMDCSA-N 2 2 392.503 3.604 20 0 GHADLP CCC(CC)(C[NH2+][C@H](C)C1CCS(=O)(=O)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000187230427 908058087 /nfs/dbraw/zinc/05/80/87/908058087.db2.gz NRXIEXRAEILQIR-MSOLQXFVSA-N 2 2 380.598 3.699 20 0 GHADLP CCC[N@H+](Cc1ccc(C(=O)NC)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001176892047 908291797 /nfs/dbraw/zinc/29/17/97/908291797.db2.gz QEOISCZCRMXIKR-UHFFFAOYSA-N 2 2 379.548 3.923 20 0 GHADLP CCC[N@@H+](Cc1ccc(C(=O)NC)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001176892047 908291810 /nfs/dbraw/zinc/29/18/10/908291810.db2.gz QEOISCZCRMXIKR-UHFFFAOYSA-N 2 2 379.548 3.923 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001176978589 908344674 /nfs/dbraw/zinc/34/46/74/908344674.db2.gz UPKXLMLLCOZYTN-LBPRGKRZSA-N 2 2 381.307 3.934 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2F)[C@H](C)C1 ZINC000190006470 908401055 /nfs/dbraw/zinc/40/10/55/908401055.db2.gz VXEBWQFIGGLEQQ-VKJFTORMSA-N 2 2 399.938 3.533 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2F)[C@H](C)C1 ZINC000190006470 908401060 /nfs/dbraw/zinc/40/10/60/908401060.db2.gz VXEBWQFIGGLEQQ-VKJFTORMSA-N 2 2 399.938 3.533 20 0 GHADLP Cc1csc(C(C)(C)[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)n1 ZINC001177822551 908752092 /nfs/dbraw/zinc/75/20/92/908752092.db2.gz MFABDWZYEDKYSU-UHFFFAOYSA-N 2 2 383.464 3.860 20 0 GHADLP CCCOc1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1OC ZINC001178232580 908969637 /nfs/dbraw/zinc/96/96/37/908969637.db2.gz SGTQYYHYELVVRL-LJQANCHMSA-N 2 2 384.524 3.631 20 0 GHADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000718031638 909078001 /nfs/dbraw/zinc/07/80/01/909078001.db2.gz HBUWYYVAOKNCRF-LAUBAEHRSA-N 2 2 387.568 3.742 20 0 GHADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000718031638 909078019 /nfs/dbraw/zinc/07/80/19/909078019.db2.gz HBUWYYVAOKNCRF-LAUBAEHRSA-N 2 2 387.568 3.742 20 0 GHADLP C[C@H]([NH2+]Cc1nc2cc(F)ccc2o1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000634960414 909092246 /nfs/dbraw/zinc/09/22/46/909092246.db2.gz RBRDHVVBMIPMRR-AWEZNQCLSA-N 2 2 386.446 3.709 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)c2c1OC(F)(F)O2 ZINC001178998947 909350979 /nfs/dbraw/zinc/35/09/79/909350979.db2.gz UPRYNUJTSGBTAB-LPHOPBHVSA-N 2 2 378.394 3.797 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000267345021 909458856 /nfs/dbraw/zinc/45/88/56/909458856.db2.gz CCMAXRQJVRVZAD-WMZHIEFXSA-N 2 2 388.515 3.572 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000267345021 909458861 /nfs/dbraw/zinc/45/88/61/909458861.db2.gz CCMAXRQJVRVZAD-WMZHIEFXSA-N 2 2 388.515 3.572 20 0 GHADLP FC(F)(F)c1cccc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000267466819 909513975 /nfs/dbraw/zinc/51/39/75/909513975.db2.gz WQHAPDUOHKXQIA-ZDUSSCGKSA-N 2 2 377.370 3.858 20 0 GHADLP FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000267466819 909513981 /nfs/dbraw/zinc/51/39/81/909513981.db2.gz WQHAPDUOHKXQIA-ZDUSSCGKSA-N 2 2 377.370 3.858 20 0 GHADLP CO[C@@H](C)c1nc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cs1 ZINC000268329454 909835856 /nfs/dbraw/zinc/83/58/56/909835856.db2.gz IGBIPOHBUWWMHD-INIZCTEOSA-N 2 2 388.581 3.671 20 0 GHADLP Cc1cc(C[NH3+])oc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000638293479 910108187 /nfs/dbraw/zinc/10/81/87/910108187.db2.gz LBWCFDUDXYRKII-UHFFFAOYSA-N 2 2 396.318 3.748 20 0 GHADLP CS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638439928 910153769 /nfs/dbraw/zinc/15/37/69/910153769.db2.gz GCGMUHHEOUZLOW-UGKGYDQZSA-N 2 2 384.545 3.548 20 0 GHADLP CS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638439928 910153778 /nfs/dbraw/zinc/15/37/78/910153778.db2.gz GCGMUHHEOUZLOW-UGKGYDQZSA-N 2 2 384.545 3.548 20 0 GHADLP c1cc([C@@H]2CCC[NH+](CCCCCC[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)C2)[nH]n1 ZINC000246309958 910226815 /nfs/dbraw/zinc/22/68/15/910226815.db2.gz AHNXQMANYIZMJO-WOJBJXKFSA-N 2 2 384.572 3.752 20 0 GHADLP c1cc([C@@H]2CCC[NH+](CCCCCC[N@H+]3CCC[C@@H](c4cc[nH]n4)C3)C2)[nH]n1 ZINC000246309958 910226830 /nfs/dbraw/zinc/22/68/30/910226830.db2.gz AHNXQMANYIZMJO-WOJBJXKFSA-N 2 2 384.572 3.752 20 0 GHADLP c1cc([C@@H]2CCC[N@@H+](CCCCCC[NH+]3CCC[C@@H](c4cc[nH]n4)C3)C2)[nH]n1 ZINC000246309958 910226844 /nfs/dbraw/zinc/22/68/44/910226844.db2.gz AHNXQMANYIZMJO-WOJBJXKFSA-N 2 2 384.572 3.752 20 0 GHADLP c1cc([C@@H]2CCC[N@H+](CCCCCC[NH+]3CCC[C@@H](c4cc[nH]n4)C3)C2)[nH]n1 ZINC000246309958 910226853 /nfs/dbraw/zinc/22/68/53/910226853.db2.gz AHNXQMANYIZMJO-WOJBJXKFSA-N 2 2 384.572 3.752 20 0 GHADLP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@H](C[NH+](C)Cc3cccnc3)C1)CC2 ZINC000639081393 910308518 /nfs/dbraw/zinc/30/85/18/910308518.db2.gz QNWNIUCMKLMGJF-WIYYLYMNSA-N 2 2 381.520 3.540 20 0 GHADLP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@H](C[NH+](C)Cc3cccnc3)C1)CC2 ZINC000639081393 910308526 /nfs/dbraw/zinc/30/85/26/910308526.db2.gz QNWNIUCMKLMGJF-WIYYLYMNSA-N 2 2 381.520 3.540 20 0 GHADLP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@H](C[N@H+](C)Cc3cccnc3)C1)CC2 ZINC000639081393 910308534 /nfs/dbraw/zinc/30/85/34/910308534.db2.gz QNWNIUCMKLMGJF-WIYYLYMNSA-N 2 2 381.520 3.540 20 0 GHADLP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@H](C[N@@H+](C)Cc3cccnc3)C1)CC2 ZINC000639081393 910308546 /nfs/dbraw/zinc/30/85/46/910308546.db2.gz QNWNIUCMKLMGJF-WIYYLYMNSA-N 2 2 381.520 3.540 20 0 GHADLP Cc1nn(C(C)(C)C)c(C)c1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000270143721 910459517 /nfs/dbraw/zinc/45/95/17/910459517.db2.gz RHXHNCFCNLRELF-UHFFFAOYSA-N 2 2 384.572 3.792 20 0 GHADLP C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)CC[C@@H]21 ZINC000270337154 910524982 /nfs/dbraw/zinc/52/49/82/910524982.db2.gz MZGACSDVPHKUPC-RXVVDRJESA-N 2 2 391.519 3.550 20 0 GHADLP C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)CC[C@@H]21 ZINC000270337154 910524986 /nfs/dbraw/zinc/52/49/86/910524986.db2.gz MZGACSDVPHKUPC-RXVVDRJESA-N 2 2 391.519 3.550 20 0 GHADLP Fc1ccc(C[NH2+]Cc2cn(Cc3ccc(C[NH+]4CCCCC4)cc3)nn2)cc1 ZINC000641178924 911350596 /nfs/dbraw/zinc/35/05/96/911350596.db2.gz AHVLYODKNMNCLS-UHFFFAOYSA-N 2 2 393.510 3.741 20 0 GHADLP Brc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(Br)s1 ZINC000641750054 911504390 /nfs/dbraw/zinc/50/43/90/911504390.db2.gz VTNRDKVYDFLJIF-SECBINFHSA-N 2 2 391.132 3.574 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2O)[C@@H](C)C1 ZINC000248480551 912131897 /nfs/dbraw/zinc/13/18/97/912131897.db2.gz APBSXEURLPPBTC-DAYGRLMNSA-N 2 2 399.373 3.942 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2O)[C@@H](C)C1 ZINC000248480551 912131921 /nfs/dbraw/zinc/13/19/21/912131921.db2.gz APBSXEURLPPBTC-DAYGRLMNSA-N 2 2 399.373 3.942 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cccc4cnccc43)CC2)cc1 ZINC000648751272 915860839 /nfs/dbraw/zinc/86/08/39/915860839.db2.gz GLQJSECNRGWQSC-UHFFFAOYSA-N 2 2 388.515 3.947 20 0 GHADLP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000775384692 917320639 /nfs/dbraw/zinc/32/06/39/917320639.db2.gz FNRIEPSFZTUGOV-OYUZRVEBSA-N 2 2 397.382 3.685 20 0 GHADLP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000775384692 917320655 /nfs/dbraw/zinc/32/06/55/917320655.db2.gz FNRIEPSFZTUGOV-OYUZRVEBSA-N 2 2 397.382 3.685 20 0 GHADLP CN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297419709 919319156 /nfs/dbraw/zinc/31/91/56/919319156.db2.gz YXPLFNWWDDGOHE-GOTSBHOMSA-N 2 2 398.595 3.523 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364299584 919319592 /nfs/dbraw/zinc/31/95/92/919319592.db2.gz HQWVDOSMAWZGAA-SFHVURJKSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364299584 919319607 /nfs/dbraw/zinc/31/96/07/919319607.db2.gz HQWVDOSMAWZGAA-SFHVURJKSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364299584 919319623 /nfs/dbraw/zinc/31/96/23/919319623.db2.gz HQWVDOSMAWZGAA-SFHVURJKSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364299584 919319637 /nfs/dbraw/zinc/31/96/37/919319637.db2.gz HQWVDOSMAWZGAA-SFHVURJKSA-N 2 2 395.551 3.873 20 0 GHADLP c1nc2n(c1C[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)CCOC2 ZINC000722835956 919700692 /nfs/dbraw/zinc/70/06/92/919700692.db2.gz RFRJOSHPFZVZSW-UHFFFAOYSA-N 2 2 390.531 3.595 20 0 GHADLP [NH3+]CCCC[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(F)cc1F ZINC000902320724 922086153 /nfs/dbraw/zinc/08/61/53/922086153.db2.gz RTEJIFYNBKEQGF-OAHLLOKOSA-N 2 2 376.373 3.684 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc(Br)s1 ZINC000902500180 922241671 /nfs/dbraw/zinc/24/16/71/922241671.db2.gz CQMNMIVIFIQNOZ-PPHDSNJXSA-N 2 2 394.338 3.812 20 0 GHADLP CNc1ccc(C)cc1C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000902583676 922324730 /nfs/dbraw/zinc/32/47/30/922324730.db2.gz DTMOEXWWCXNMFP-UHFFFAOYSA-N 2 2 380.536 3.749 20 0 GHADLP CC(C)(C)OC(=O)NCCC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000902993670 922694120 /nfs/dbraw/zinc/69/41/20/922694120.db2.gz VLDITXQQRLRDET-QZTJIDSGSA-N 2 2 384.524 3.903 20 0 GHADLP CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000369509266 923381704 /nfs/dbraw/zinc/38/17/04/923381704.db2.gz IFJOOIDCBZAYQK-QHCPKHFHSA-N 2 2 380.536 3.875 20 0 GHADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)c2C1 ZINC000678210977 924666171 /nfs/dbraw/zinc/66/61/71/924666171.db2.gz AKNIHRRBUVYLOT-QFIPXVFZSA-N 2 2 378.520 3.656 20 0 GHADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)c2C1 ZINC000678210977 924666175 /nfs/dbraw/zinc/66/61/75/924666175.db2.gz AKNIHRRBUVYLOT-QFIPXVFZSA-N 2 2 378.520 3.656 20 0 GHADLP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)c2C1 ZINC000678210977 924666177 /nfs/dbraw/zinc/66/61/77/924666177.db2.gz AKNIHRRBUVYLOT-QFIPXVFZSA-N 2 2 378.520 3.656 20 0 GHADLP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)c2C1 ZINC000678210977 924666179 /nfs/dbraw/zinc/66/61/79/924666179.db2.gz AKNIHRRBUVYLOT-QFIPXVFZSA-N 2 2 378.520 3.656 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000409529202 924732284 /nfs/dbraw/zinc/73/22/84/924732284.db2.gz SNFSOVKMVPAESX-ICSRJNTNSA-N 2 2 389.927 3.879 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc3c(C)cc(Br)cn13)CCC2 ZINC000371749098 924820387 /nfs/dbraw/zinc/82/03/87/924820387.db2.gz YBJFESOHUOSQMX-CQSZACIVSA-N 2 2 388.313 3.577 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccc(-n2cncn2)cc1 ZINC000678998804 924994545 /nfs/dbraw/zinc/99/45/45/924994545.db2.gz RYGOTLZKCFLBIW-UHFFFAOYSA-N 2 2 389.507 3.571 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](C)C1 ZINC000372065452 925114364 /nfs/dbraw/zinc/11/43/64/925114364.db2.gz DWKOSKTWIAFNMT-SFBLUBFJSA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](C)C1 ZINC000372065452 925114367 /nfs/dbraw/zinc/11/43/67/925114367.db2.gz DWKOSKTWIAFNMT-SFBLUBFJSA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000372065452 925114372 /nfs/dbraw/zinc/11/43/72/925114372.db2.gz DWKOSKTWIAFNMT-SFBLUBFJSA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000372065452 925114377 /nfs/dbraw/zinc/11/43/77/925114377.db2.gz DWKOSKTWIAFNMT-SFBLUBFJSA-N 3 2 399.623 3.909 20 0 GHADLP CN(C)C(=O)[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000680036956 925338119 /nfs/dbraw/zinc/33/81/19/925338119.db2.gz CASYQYFHLAJEFE-OLKYXYMISA-N 2 2 391.559 3.706 20 0 GHADLP CN(C)C(=O)[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000680036956 925338127 /nfs/dbraw/zinc/33/81/27/925338127.db2.gz CASYQYFHLAJEFE-OLKYXYMISA-N 2 2 391.559 3.706 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2 ZINC001137448096 925819745 /nfs/dbraw/zinc/81/97/45/925819745.db2.gz PTUNFLAUMSOTRT-UHFFFAOYSA-N 2 2 384.524 3.698 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2 ZINC001137448096 925819754 /nfs/dbraw/zinc/81/97/54/925819754.db2.gz PTUNFLAUMSOTRT-UHFFFAOYSA-N 2 2 384.524 3.698 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000373111560 925866839 /nfs/dbraw/zinc/86/68/39/925866839.db2.gz LSTVHZQAFOQENE-AWEZNQCLSA-N 2 2 391.397 3.869 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000373111560 925866848 /nfs/dbraw/zinc/86/68/48/925866848.db2.gz LSTVHZQAFOQENE-AWEZNQCLSA-N 2 2 391.397 3.869 20 0 GHADLP Brc1cccc([C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C2CCOCC2)c1 ZINC000682436642 926115303 /nfs/dbraw/zinc/11/53/03/926115303.db2.gz KNONKVXQKRWQRB-PMACEKPBSA-N 2 2 393.369 3.991 20 0 GHADLP Brc1cccc([C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C2CCOCC2)c1 ZINC000682436642 926115320 /nfs/dbraw/zinc/11/53/20/926115320.db2.gz KNONKVXQKRWQRB-PMACEKPBSA-N 2 2 393.369 3.991 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2cccnc2Cl)c(C)c1 ZINC000749605927 927210550 /nfs/dbraw/zinc/21/05/50/927210550.db2.gz PWMIEBNEKJCYTL-VQIMIIECSA-N 2 2 397.910 3.906 20 0 GHADLP Cc1ccc(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c(N(C)C)[nH+]1 ZINC000750399133 927601666 /nfs/dbraw/zinc/60/16/66/927601666.db2.gz PRNPQSKXPASQOY-GOSISDBHSA-N 2 2 381.524 3.584 20 0 GHADLP Cc1ccc(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c(N(C)C)[nH+]1 ZINC000750399133 927601672 /nfs/dbraw/zinc/60/16/72/927601672.db2.gz PRNPQSKXPASQOY-GOSISDBHSA-N 2 2 381.524 3.584 20 0 GHADLP Cc1ccc(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c(N(C)C)[nH+]1 ZINC000750399135 927601844 /nfs/dbraw/zinc/60/18/44/927601844.db2.gz PRNPQSKXPASQOY-SFHVURJKSA-N 2 2 381.524 3.584 20 0 GHADLP Cc1ccc(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c(N(C)C)[nH+]1 ZINC000750399135 927601850 /nfs/dbraw/zinc/60/18/50/927601850.db2.gz PRNPQSKXPASQOY-SFHVURJKSA-N 2 2 381.524 3.584 20 0 GHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](C[C@H]4CCc5ccccc54)C3)CC2)nc1 ZINC000780285352 927620584 /nfs/dbraw/zinc/62/05/84/927620584.db2.gz ITGNKZWKEKHUAM-JTHBVZDNSA-N 2 2 390.575 3.646 20 0 GHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](C[C@H]4CCc5ccccc54)C3)CC2)nc1 ZINC000780285352 927620602 /nfs/dbraw/zinc/62/06/02/927620602.db2.gz ITGNKZWKEKHUAM-JTHBVZDNSA-N 2 2 390.575 3.646 20 0 GHADLP C[C@@H](c1nnc(SCCc2c[nH+]cn2C)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000412982308 928068064 /nfs/dbraw/zinc/06/80/64/928068064.db2.gz IHTFYDQZLXNNIT-KRWDZBQOSA-N 2 2 396.564 3.883 20 0 GHADLP Cc1cc(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c(C)c[nH+]1 ZINC000545983188 929746944 /nfs/dbraw/zinc/74/69/44/929746944.db2.gz JUYMXQYXSMKQTL-KRWDZBQOSA-N 2 2 380.414 3.564 20 0 GHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCC[NH+]3CCCCCC3)c2C1 ZINC000546077753 929831589 /nfs/dbraw/zinc/83/15/89/929831589.db2.gz AIDITDKBMDXYSI-UHFFFAOYSA-N 2 2 394.563 3.609 20 0 GHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCC[NH+]3CCCCCC3)c2C1 ZINC000546077753 929831593 /nfs/dbraw/zinc/83/15/93/929831593.db2.gz AIDITDKBMDXYSI-UHFFFAOYSA-N 2 2 394.563 3.609 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000469764599 930146384 /nfs/dbraw/zinc/14/63/84/930146384.db2.gz OUVPYWLITNVIFZ-MGPUTAFESA-N 2 2 380.879 3.982 20 0 GHADLP CCC(CC)[C@@H](C(=O)Nc1ccc(C[NH+](CC)CC)cc1)[NH+]1CCOCC1 ZINC000470114963 930384971 /nfs/dbraw/zinc/38/49/71/930384971.db2.gz ZDEBOJBCLCXLHD-NRFANRHFSA-N 2 2 375.557 3.604 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)Cc2c(Cl)cccc2Cl)CC1 ZINC000547330259 930921149 /nfs/dbraw/zinc/92/11/49/930921149.db2.gz MVJYMSYEZCKAJD-CQSZACIVSA-N 2 2 387.351 3.932 20 0 GHADLP CSc1ccccc1C[N@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000471031284 931106948 /nfs/dbraw/zinc/10/69/48/931106948.db2.gz WVKZMRIMBLMBLV-WIYYLYMNSA-N 2 2 397.588 3.620 20 0 GHADLP CSc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000471031284 931106953 /nfs/dbraw/zinc/10/69/53/931106953.db2.gz WVKZMRIMBLMBLV-WIYYLYMNSA-N 2 2 397.588 3.620 20 0 GHADLP CSc1ccccc1C[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471031284 931106954 /nfs/dbraw/zinc/10/69/54/931106954.db2.gz WVKZMRIMBLMBLV-WIYYLYMNSA-N 2 2 397.588 3.620 20 0 GHADLP CSc1ccccc1C[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471031284 931106958 /nfs/dbraw/zinc/10/69/58/931106958.db2.gz WVKZMRIMBLMBLV-WIYYLYMNSA-N 2 2 397.588 3.620 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000782545212 931264329 /nfs/dbraw/zinc/26/43/29/931264329.db2.gz CELOMDKQNYLQGO-SJORKVTESA-N 2 2 388.487 3.937 20 0 GHADLP CN(C(=O)CCCc1ccsc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000783527325 931572422 /nfs/dbraw/zinc/57/24/22/931572422.db2.gz AHVFBYKDJRKFOK-NHCUHLMSSA-N 2 2 391.625 3.866 20 0 GHADLP CN(C(=O)CCCc1ccsc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000783527325 931572425 /nfs/dbraw/zinc/57/24/25/931572425.db2.gz AHVFBYKDJRKFOK-NHCUHLMSSA-N 2 2 391.625 3.866 20 0 GHADLP Cc1cc(C)cc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2cccnc2)c1 ZINC000925555273 931821836 /nfs/dbraw/zinc/82/18/36/931821836.db2.gz GCNURNVGUXEQMT-RBZQAINGSA-N 2 2 379.548 3.755 20 0 GHADLP COc1cc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(F)cn1 ZINC000558241778 931900023 /nfs/dbraw/zinc/90/00/23/931900023.db2.gz VBVOMILQVJJWGM-LSDHHAIUSA-N 2 2 390.478 3.532 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796718337 932042204 /nfs/dbraw/zinc/04/22/04/932042204.db2.gz VKJVQBSEZVVPOK-MRXNPFEDSA-N 2 2 393.491 3.887 20 0 GHADLP Cc1cccc([C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2ccccn2)c1 ZINC000926126617 932057684 /nfs/dbraw/zinc/05/76/84/932057684.db2.gz RGPASHPVNUSGFZ-ILBGXUMGSA-N 2 2 387.527 3.836 20 0 GHADLP Cc1cccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccccn2)c1 ZINC000926126617 932057688 /nfs/dbraw/zinc/05/76/88/932057688.db2.gz RGPASHPVNUSGFZ-ILBGXUMGSA-N 2 2 387.527 3.836 20 0 GHADLP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796938182 932115045 /nfs/dbraw/zinc/11/50/45/932115045.db2.gz LCEPJZHVIZXYGK-INIZCTEOSA-N 2 2 376.545 3.623 20 0 GHADLP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000926332738 932138462 /nfs/dbraw/zinc/13/84/62/932138462.db2.gz ZANZYBGDVSRNLO-HJZRJOMTSA-N 2 2 384.490 3.526 20 0 GHADLP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000926332740 932138739 /nfs/dbraw/zinc/13/87/39/932138739.db2.gz ZANZYBGDVSRNLO-RXQRSOPUSA-N 2 2 384.490 3.526 20 0 GHADLP Cc1ccc([C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)c2ccccn2)cc1 ZINC000926434386 932179601 /nfs/dbraw/zinc/17/96/01/932179601.db2.gz CVGSZYCKPLLYMW-XMMPIXPASA-N 2 2 390.531 3.995 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)[C@@H](C2CCCC2)C1 ZINC000926448812 932189010 /nfs/dbraw/zinc/18/90/10/932189010.db2.gz CETRLRGJXIMVIG-KSZLIROESA-N 2 2 388.556 3.672 20 0 GHADLP CC1=C(c2ccco2)C[NH+](CC(O)C[N@@H+]2CCC(C)=C(c3ccco3)C2)CC1 ZINC000558733935 932200660 /nfs/dbraw/zinc/20/06/60/932200660.db2.gz KMYXRGUTLRJGDF-UHFFFAOYSA-N 2 2 382.504 3.892 20 0 GHADLP CC1=C(c2ccco2)C[NH+](CC(O)C[N@H+]2CCC(C)=C(c3ccco3)C2)CC1 ZINC000558733935 932200665 /nfs/dbraw/zinc/20/06/65/932200665.db2.gz KMYXRGUTLRJGDF-UHFFFAOYSA-N 2 2 382.504 3.892 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cn1 ZINC000558737421 932202026 /nfs/dbraw/zinc/20/20/26/932202026.db2.gz BJQBYJKGHDDOTD-SFHVURJKSA-N 2 2 386.927 3.564 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cn1 ZINC000558737421 932202034 /nfs/dbraw/zinc/20/20/34/932202034.db2.gz BJQBYJKGHDDOTD-SFHVURJKSA-N 2 2 386.927 3.564 20 0 GHADLP CC[C@@H](C[C@](C)(O)CC)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000926527982 932217612 /nfs/dbraw/zinc/21/76/12/932217612.db2.gz MIYSJMMOHAJCPO-SIKLNZKXSA-N 2 2 375.557 3.529 20 0 GHADLP C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000559320142 932597763 /nfs/dbraw/zinc/59/77/63/932597763.db2.gz JBDKAXWORIJYOX-VGOFRKELSA-N 2 2 392.478 3.853 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000798935049 932823235 /nfs/dbraw/zinc/82/32/35/932823235.db2.gz KKXDMVUPTQSUED-NHTMILBNSA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000798935049 932823240 /nfs/dbraw/zinc/82/32/40/932823240.db2.gz KKXDMVUPTQSUED-NHTMILBNSA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000798935049 932823245 /nfs/dbraw/zinc/82/32/45/932823245.db2.gz KKXDMVUPTQSUED-NHTMILBNSA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000798935049 932823247 /nfs/dbraw/zinc/82/32/47/932823247.db2.gz KKXDMVUPTQSUED-NHTMILBNSA-N 3 2 387.612 3.625 20 0 GHADLP O=C(OCc1ccccc1)N1CCC(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000799139738 932886046 /nfs/dbraw/zinc/88/60/46/932886046.db2.gz KVMBTRAQMSEBHN-FQEVSTJZSA-N 2 2 382.508 3.638 20 0 GHADLP O=C(OCc1ccccc1)N1CCC(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000799139738 932886049 /nfs/dbraw/zinc/88/60/49/932886049.db2.gz KVMBTRAQMSEBHN-FQEVSTJZSA-N 2 2 382.508 3.638 20 0 GHADLP C[C@@H](CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)n1cc[nH+]c1 ZINC000560337320 933208932 /nfs/dbraw/zinc/20/89/32/933208932.db2.gz MLBVFIYTHAMCAV-FQEVSTJZSA-N 2 2 388.515 3.768 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC001116042767 933301562 /nfs/dbraw/zinc/30/15/62/933301562.db2.gz ILFLIXDYWUXILJ-HSZRJFAPSA-N 2 2 388.515 3.852 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC001116042767 933301569 /nfs/dbraw/zinc/30/15/69/933301569.db2.gz ILFLIXDYWUXILJ-HSZRJFAPSA-N 2 2 388.515 3.852 20 0 GHADLP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H](c3ncc[nH]3)C3CCCCC3)cc2)CC1 ZINC000560514279 933303485 /nfs/dbraw/zinc/30/34/85/933303485.db2.gz JGQCEZXPVCJBGM-QFIPXVFZSA-N 2 2 381.568 3.568 20 0 GHADLP CN1CC[NH+](Cc2ccc(C[NH2+][C@H](c3ncc[nH]3)C3CCCCC3)cc2)CC1 ZINC000560514279 933303497 /nfs/dbraw/zinc/30/34/97/933303497.db2.gz JGQCEZXPVCJBGM-QFIPXVFZSA-N 2 2 381.568 3.568 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC001116603072 933657769 /nfs/dbraw/zinc/65/77/69/933657769.db2.gz IXQZNXNCAZTYLW-HXUWFJFHSA-N 2 2 376.504 3.849 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC001116603072 933657773 /nfs/dbraw/zinc/65/77/73/933657773.db2.gz IXQZNXNCAZTYLW-HXUWFJFHSA-N 2 2 376.504 3.849 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000561194676 933947188 /nfs/dbraw/zinc/94/71/88/933947188.db2.gz SFKOOLXFCAZFCG-GGPKGHCWSA-N 2 2 382.552 3.804 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc3ccccc3c2)[nH+]1 ZINC001119660692 934378699 /nfs/dbraw/zinc/37/86/99/934378699.db2.gz HOOSUAPWSJNSOE-FGZHOGPDSA-N 2 2 391.515 3.859 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@@H](O)COc2ccc3ccccc3c2)[nH+]1 ZINC001119660692 934378710 /nfs/dbraw/zinc/37/87/10/934378710.db2.gz HOOSUAPWSJNSOE-FGZHOGPDSA-N 2 2 391.515 3.859 20 0 GHADLP COc1cccc(C[NH+]2CCC([NH2+]C[C@H](O)Cc3cccc(Cl)c3)CC2)c1 ZINC001120467305 934466319 /nfs/dbraw/zinc/46/63/19/934466319.db2.gz IUGAAYRIMJTOGH-OAQYLSRUSA-N 2 2 388.939 3.506 20 0 GHADLP CC(=O)c1ccccc1OCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000562060159 934665878 /nfs/dbraw/zinc/66/58/78/934665878.db2.gz PCBNEXIGMYKRJX-YADHBBJMSA-N 2 2 378.516 3.722 20 0 GHADLP CC(=O)c1ccccc1OCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000562060159 934665882 /nfs/dbraw/zinc/66/58/82/934665882.db2.gz PCBNEXIGMYKRJX-YADHBBJMSA-N 2 2 378.516 3.722 20 0 GHADLP CC(=O)c1ccccc1OCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000562060159 934665887 /nfs/dbraw/zinc/66/58/87/934665887.db2.gz PCBNEXIGMYKRJX-YADHBBJMSA-N 2 2 378.516 3.722 20 0 GHADLP CC(=O)c1ccccc1OCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000562060159 934665893 /nfs/dbraw/zinc/66/58/93/934665893.db2.gz PCBNEXIGMYKRJX-YADHBBJMSA-N 2 2 378.516 3.722 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1c(Cl)cccc1Br)CC2 ZINC001137813806 935804878 /nfs/dbraw/zinc/80/48/78/935804878.db2.gz FZGALORSKCUVCO-UHFFFAOYSA-N 2 2 386.721 3.733 20 0 GHADLP Cc1cccc(C)c1C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001137854506 935826855 /nfs/dbraw/zinc/82/68/55/935826855.db2.gz ZJIZMSPZPPMTIB-LJQANCHMSA-N 2 2 387.568 3.867 20 0 GHADLP Cc1cccc(C)c1C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001137854506 935826859 /nfs/dbraw/zinc/82/68/59/935826859.db2.gz ZJIZMSPZPPMTIB-LJQANCHMSA-N 2 2 387.568 3.867 20 0 GHADLP Fc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001137960674 935893393 /nfs/dbraw/zinc/89/33/93/935893393.db2.gz PKUJLKPHHWUEHZ-YLJYHZDGSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1c(Cl)cccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001137960674 935893396 /nfs/dbraw/zinc/89/33/96/935893396.db2.gz PKUJLKPHHWUEHZ-YLJYHZDGSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1c(Cl)cccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001137960674 935893399 /nfs/dbraw/zinc/89/33/99/935893399.db2.gz PKUJLKPHHWUEHZ-YLJYHZDGSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1c(Cl)cccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001137960674 935893402 /nfs/dbraw/zinc/89/34/02/935893402.db2.gz PKUJLKPHHWUEHZ-YLJYHZDGSA-N 2 2 389.902 3.597 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc5ccccc5nc4Cl)C[C@@H]3C2)cn1 ZINC001137975231 935899979 /nfs/dbraw/zinc/89/99/79/935899979.db2.gz SSPPBTDKNBNAKU-QUCCMNQESA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc5ccccc5nc4Cl)C[C@@H]3C2)cn1 ZINC001137975231 935899983 /nfs/dbraw/zinc/89/99/83/935899983.db2.gz SSPPBTDKNBNAKU-QUCCMNQESA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc5ccccc5nc4Cl)C[C@@H]3C2)cn1 ZINC001137975231 935899988 /nfs/dbraw/zinc/89/99/88/935899988.db2.gz SSPPBTDKNBNAKU-QUCCMNQESA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc5ccccc5nc4Cl)C[C@@H]3C2)cn1 ZINC001137975231 935899990 /nfs/dbraw/zinc/89/99/90/935899990.db2.gz SSPPBTDKNBNAKU-QUCCMNQESA-N 2 2 395.938 3.576 20 0 GHADLP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001460976891 1069311482 /nfs/dbraw/zinc/31/14/82/1069311482.db2.gz VFWMPAQKOOAYFD-PZJWPPBQSA-N 2 2 396.579 3.873 20 0 GHADLP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001460976891 1069311499 /nfs/dbraw/zinc/31/14/99/1069311499.db2.gz VFWMPAQKOOAYFD-PZJWPPBQSA-N 2 2 396.579 3.873 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(c3cccs3)CCCCC2)CC1 ZINC000545209159 1015655688 /nfs/dbraw/zinc/65/56/88/1015655688.db2.gz OBZOZILWJCTPBH-UHFFFAOYSA-N 2 2 378.582 3.957 20 0 GHADLP CN(C(=O)NCC1C(C)(C)C1(C)C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001226964686 1032214433 /nfs/dbraw/zinc/21/44/33/1032214433.db2.gz WCDQMYGSCLESLE-OALUTQOASA-N 2 2 392.632 3.647 20 0 GHADLP CN(C(=O)NCC1C(C)(C)C1(C)C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001226964686 1032214439 /nfs/dbraw/zinc/21/44/39/1032214439.db2.gz WCDQMYGSCLESLE-OALUTQOASA-N 2 2 392.632 3.647 20 0 GHADLP Fc1ccc(COc2ccc[nH+]c2NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)cc1 ZINC001155382885 1032526741 /nfs/dbraw/zinc/52/67/41/1032526741.db2.gz KBJHBLMOUULTKN-IBGZPJMESA-N 2 2 385.483 3.760 20 0 GHADLP CCOC(=O)Cc1ccc[nH+]c1N[C@@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21 ZINC001155429640 1032538921 /nfs/dbraw/zinc/53/89/21/1032538921.db2.gz BQZWUNKKMZMEMR-HXUWFJFHSA-N 2 2 379.504 3.674 20 0 GHADLP CSc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)cc1 ZINC001204141944 1032598657 /nfs/dbraw/zinc/59/86/57/1032598657.db2.gz ZUHOUETZQKUMKM-GIWBLDEGSA-N 2 2 396.604 3.980 20 0 GHADLP CSc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)cc1 ZINC001204141944 1032598666 /nfs/dbraw/zinc/59/86/66/1032598666.db2.gz ZUHOUETZQKUMKM-GIWBLDEGSA-N 2 2 396.604 3.980 20 0 GHADLP CSc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001204141944 1032598673 /nfs/dbraw/zinc/59/86/73/1032598673.db2.gz ZUHOUETZQKUMKM-GIWBLDEGSA-N 2 2 396.604 3.980 20 0 GHADLP CSc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)cc1 ZINC001204141944 1032598684 /nfs/dbraw/zinc/59/86/84/1032598684.db2.gz ZUHOUETZQKUMKM-GIWBLDEGSA-N 2 2 396.604 3.980 20 0 GHADLP C[NH+](C)CCOc1cc(C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)ccn1 ZINC000925652919 1017127883 /nfs/dbraw/zinc/12/78/83/1017127883.db2.gz IPTGSQSKXMMPQK-JOCHJYFZSA-N 2 2 396.922 3.950 20 0 GHADLP C[C@]1([NH2+]CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)CCCc2ccccc21 ZINC000559238494 1017405386 /nfs/dbraw/zinc/40/53/86/1017405386.db2.gz WJCOGKBEHCGVHQ-NRFANRHFSA-N 2 2 384.549 3.519 20 0 GHADLP CCCOc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)cc1 ZINC001204308388 1032751202 /nfs/dbraw/zinc/75/12/02/1032751202.db2.gz WRGRKUYBQHFWAE-UHFFFAOYSA-N 2 2 388.552 3.715 20 0 GHADLP COc1cc2c(cc1O[C@@H]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]13)C=[NH+]CC2 ZINC001228092926 1032775431 /nfs/dbraw/zinc/77/54/31/1032775431.db2.gz VFHVPAISLIIDDS-BAGYTPMASA-N 2 2 376.500 3.960 20 0 GHADLP COc1cc2c(cc1O[C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]13)C=[NH+]CC2 ZINC001228092926 1032775447 /nfs/dbraw/zinc/77/54/47/1032775447.db2.gz VFHVPAISLIIDDS-BAGYTPMASA-N 2 2 376.500 3.960 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(-c4ccccc4Cl)on3)C2)CC1 ZINC000562821562 1018680361 /nfs/dbraw/zinc/68/03/61/1018680361.db2.gz SEYMTZARUJMTNM-SFHVURJKSA-N 2 2 388.943 3.595 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(-c4ccccc4Cl)on3)C2)CC1 ZINC000562821562 1018680364 /nfs/dbraw/zinc/68/03/64/1018680364.db2.gz SEYMTZARUJMTNM-SFHVURJKSA-N 2 2 388.943 3.595 20 0 GHADLP C[NH+](C)[C@@H](C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)c1ccc(Cl)cc1 ZINC000565159993 1019170445 /nfs/dbraw/zinc/17/04/45/1019170445.db2.gz AVAAPBAZWKGBSF-RTBURBONSA-N 2 2 387.911 3.967 20 0 GHADLP FC(F)Oc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc1 ZINC001204421567 1032852039 /nfs/dbraw/zinc/85/20/39/1032852039.db2.gz VKXWQTOWNBFEES-UHFFFAOYSA-N 2 2 392.446 3.748 20 0 GHADLP FC(F)Oc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc1 ZINC001204421567 1032852051 /nfs/dbraw/zinc/85/20/51/1032852051.db2.gz VKXWQTOWNBFEES-UHFFFAOYSA-N 2 2 392.446 3.748 20 0 GHADLP Cc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1C ZINC001204423127 1032854245 /nfs/dbraw/zinc/85/42/45/1032854245.db2.gz WAMMNAOLPPFXMH-XMMPIXPASA-N 2 2 392.591 3.775 20 0 GHADLP Cc1ccc(CC[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1C ZINC001204423127 1032854266 /nfs/dbraw/zinc/85/42/66/1032854266.db2.gz WAMMNAOLPPFXMH-XMMPIXPASA-N 2 2 392.591 3.775 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001204446037 1032886694 /nfs/dbraw/zinc/88/66/94/1032886694.db2.gz CGGFWOMNYQBYQF-DEOSSOPVSA-N 2 2 396.579 3.812 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001204446037 1032886712 /nfs/dbraw/zinc/88/67/12/1032886712.db2.gz CGGFWOMNYQBYQF-DEOSSOPVSA-N 2 2 396.579 3.812 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001204446037 1032886724 /nfs/dbraw/zinc/88/67/24/1032886724.db2.gz CGGFWOMNYQBYQF-DEOSSOPVSA-N 2 2 396.579 3.812 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001204446037 1032886737 /nfs/dbraw/zinc/88/67/37/1032886737.db2.gz CGGFWOMNYQBYQF-DEOSSOPVSA-N 2 2 396.579 3.812 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCOc3ccc(F)cc3F)CC2)cc1 ZINC000160084955 1020418215 /nfs/dbraw/zinc/41/82/15/1020418215.db2.gz IIZCLAZGXYGHCU-UHFFFAOYSA-N 2 2 375.463 3.668 20 0 GHADLP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)on1 ZINC000631041796 1020851816 /nfs/dbraw/zinc/85/18/16/1020851816.db2.gz SQNAQBIDLGWXHA-UHFFFAOYSA-N 2 2 376.504 3.595 20 0 GHADLP Clc1cc(Br)cnc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000631042203 1020852490 /nfs/dbraw/zinc/85/24/90/1020852490.db2.gz PWSHNICNHLALOK-UHFFFAOYSA-N 2 2 381.705 3.651 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001140523673 1021915476 /nfs/dbraw/zinc/91/54/76/1021915476.db2.gz SYNAGJAUDPMDNU-DBVUQKKJSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001140523673 1021915477 /nfs/dbraw/zinc/91/54/77/1021915477.db2.gz SYNAGJAUDPMDNU-DBVUQKKJSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001140523673 1021915483 /nfs/dbraw/zinc/91/54/83/1021915483.db2.gz SYNAGJAUDPMDNU-DBVUQKKJSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001140523673 1021915488 /nfs/dbraw/zinc/91/54/88/1021915488.db2.gz SYNAGJAUDPMDNU-DBVUQKKJSA-N 2 2 399.560 3.662 20 0 GHADLP c1ccc(-c2ncc3c(n2)CC[C@H]([NH2+]C2CCN(c4cccc[nH+]4)CC2)C3)cc1 ZINC000679022640 1021952621 /nfs/dbraw/zinc/95/26/21/1021952621.db2.gz IXZYXKRKLFYGPS-NRFANRHFSA-N 2 2 385.515 3.655 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC001140551480 1021953841 /nfs/dbraw/zinc/95/38/41/1021953841.db2.gz YLIVQOYOBAIVEX-UHFFFAOYSA-N 2 2 376.298 3.597 20 0 GHADLP c1sc2ccccc2c1C[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001140638447 1022128537 /nfs/dbraw/zinc/12/85/37/1022128537.db2.gz PAXSURWHWOXOJM-UHFFFAOYSA-N 2 2 381.549 3.537 20 0 GHADLP c1sc2ccccc2c1C[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001140638447 1022128546 /nfs/dbraw/zinc/12/85/46/1022128546.db2.gz PAXSURWHWOXOJM-UHFFFAOYSA-N 2 2 381.549 3.537 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]c4cc[nH+]cc34)C[C@@H]21 ZINC001140803069 1022573290 /nfs/dbraw/zinc/57/32/90/1022573290.db2.gz KHXWKMDBPZFNCX-JWNTYJGQSA-N 3 2 375.520 3.690 20 0 GHADLP C[C@@H]([NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754479130 1022729687 /nfs/dbraw/zinc/72/96/87/1022729687.db2.gz WBSRUYSQPOHJSA-VXGBXAGGSA-N 2 2 378.870 3.835 20 0 GHADLP C[C@@H]([NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754479130 1022729704 /nfs/dbraw/zinc/72/97/04/1022729704.db2.gz WBSRUYSQPOHJSA-VXGBXAGGSA-N 2 2 378.870 3.835 20 0 GHADLP C[C@H](CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000755065871 1023055332 /nfs/dbraw/zinc/05/53/32/1023055332.db2.gz JSOZNPXEVMTPFO-HOJAQTOUSA-N 2 2 380.621 3.647 20 0 GHADLP C[C@H](CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000755065871 1023055344 /nfs/dbraw/zinc/05/53/44/1023055344.db2.gz JSOZNPXEVMTPFO-HOJAQTOUSA-N 2 2 380.621 3.647 20 0 GHADLP Cc1cccc(-c2nn(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c(=S)n2C)c1 ZINC000755782530 1023374560 /nfs/dbraw/zinc/37/45/60/1023374560.db2.gz ZMYHUQIDAZTAQB-LJQANCHMSA-N 2 2 385.581 3.548 20 0 GHADLP Cc1cccc(-c2nn(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c(=S)n2C)c1 ZINC000755782530 1023374571 /nfs/dbraw/zinc/37/45/71/1023374571.db2.gz ZMYHUQIDAZTAQB-LJQANCHMSA-N 2 2 385.581 3.548 20 0 GHADLP CCCCc1[nH]c(C[NH+]2CCC3(C[C@@H](CC(=O)NC)c4ccccc43)CC2)c[nH+]1 ZINC001141070377 1023422646 /nfs/dbraw/zinc/42/26/46/1023422646.db2.gz WFEVNEQADPNJQE-GOSISDBHSA-N 2 2 394.563 3.910 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2c[nH]nc2-c2cccs2)CC3)cn1 ZINC001138153296 1024250665 /nfs/dbraw/zinc/25/06/65/1024250665.db2.gz CMBOSSLMSDUPCZ-UHFFFAOYSA-N 2 2 396.564 3.502 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2c[nH]nc2-c2cccs2)CC3)cn1 ZINC001138153296 1024250683 /nfs/dbraw/zinc/25/06/83/1024250683.db2.gz CMBOSSLMSDUPCZ-UHFFFAOYSA-N 2 2 396.564 3.502 20 0 GHADLP Cc1c2ccccc2[nH]c1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001138398529 1024775819 /nfs/dbraw/zinc/77/58/19/1024775819.db2.gz DFOUENBUXVBFGP-UHFFFAOYSA-N 2 2 377.536 3.717 20 0 GHADLP Cc1c2ccccc2[nH]c1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001138398529 1024775826 /nfs/dbraw/zinc/77/58/26/1024775826.db2.gz DFOUENBUXVBFGP-UHFFFAOYSA-N 2 2 377.536 3.717 20 0 GHADLP COc1ccc(C)cc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001138486794 1024917654 /nfs/dbraw/zinc/91/76/54/1024917654.db2.gz RRTCXYFAWIZIPZ-HJNYFJLDSA-N 2 2 382.552 3.574 20 0 GHADLP COc1ccc(C)cc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001138486794 1024917659 /nfs/dbraw/zinc/91/76/59/1024917659.db2.gz RRTCXYFAWIZIPZ-HJNYFJLDSA-N 2 2 382.552 3.574 20 0 GHADLP COc1ccc(C)cc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001138486794 1024917663 /nfs/dbraw/zinc/91/76/63/1024917663.db2.gz RRTCXYFAWIZIPZ-HJNYFJLDSA-N 2 2 382.552 3.574 20 0 GHADLP COc1ccc(C)cc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001138486794 1024917667 /nfs/dbraw/zinc/91/76/67/1024917667.db2.gz RRTCXYFAWIZIPZ-HJNYFJLDSA-N 2 2 382.552 3.574 20 0 GHADLP CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000831991849 1025095218 /nfs/dbraw/zinc/09/52/18/1025095218.db2.gz CRMUMBNLKHMALO-SFHVURJKSA-N 2 2 376.545 3.631 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205116466 1033260882 /nfs/dbraw/zinc/26/08/82/1033260882.db2.gz ABELMECFQICLAY-GFCCVEGCSA-N 2 2 384.307 3.965 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205116466 1033260887 /nfs/dbraw/zinc/26/08/87/1033260887.db2.gz ABELMECFQICLAY-GFCCVEGCSA-N 2 2 384.307 3.965 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccn1-c1ccccc1F)C2 ZINC001138630334 1025133147 /nfs/dbraw/zinc/13/31/47/1025133147.db2.gz DPSZRMRWQHPYDS-YKSBVNFPSA-N 2 2 397.538 3.797 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccn1-c1ccccc1F)C2 ZINC001138630334 1025133154 /nfs/dbraw/zinc/13/31/54/1025133154.db2.gz DPSZRMRWQHPYDS-YKSBVNFPSA-N 2 2 397.538 3.797 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccn1-c1ccccc1F)C2 ZINC001138630334 1025133162 /nfs/dbraw/zinc/13/31/62/1025133162.db2.gz DPSZRMRWQHPYDS-YKSBVNFPSA-N 2 2 397.538 3.797 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccn1-c1ccccc1F)C2 ZINC001138630334 1025133168 /nfs/dbraw/zinc/13/31/68/1025133168.db2.gz DPSZRMRWQHPYDS-YKSBVNFPSA-N 2 2 397.538 3.797 20 0 GHADLP CCCCc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)OC)C3)CC2)s1 ZINC001138754646 1025304368 /nfs/dbraw/zinc/30/43/68/1025304368.db2.gz HVWKNOJYDIWGAC-QGZVFWFLSA-N 2 2 378.582 3.940 20 0 GHADLP CCCCc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)OC)C3)CC2)s1 ZINC001138754646 1025304410 /nfs/dbraw/zinc/30/44/10/1025304410.db2.gz HVWKNOJYDIWGAC-QGZVFWFLSA-N 2 2 378.582 3.940 20 0 GHADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4cnn(Cc5ccccc5)c4)C[C@H]3C2)c1 ZINC001138764794 1025328465 /nfs/dbraw/zinc/32/84/65/1025328465.db2.gz ATZCUWNEQMNYEI-SFTDATJTSA-N 2 2 378.545 3.557 20 0 GHADLP CCN(CC)c1ncc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)s1 ZINC001138801252 1025387826 /nfs/dbraw/zinc/38/78/26/1025387826.db2.gz OQTPSKUSPDVUKR-PMACEKPBSA-N 2 2 384.593 3.862 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC001138815757 1025411797 /nfs/dbraw/zinc/41/17/97/1025411797.db2.gz UZGYVUPOXDWGQS-UHFFFAOYSA-N 2 2 398.572 3.578 20 0 GHADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001141548558 1025481151 /nfs/dbraw/zinc/48/11/51/1025481151.db2.gz BFKNMLRSYMSUIB-VXKWHMMOSA-N 2 2 389.559 3.807 20 0 GHADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001141548558 1025481167 /nfs/dbraw/zinc/48/11/67/1025481167.db2.gz BFKNMLRSYMSUIB-VXKWHMMOSA-N 2 2 389.559 3.807 20 0 GHADLP COc1ccc(C)[nH+]c1N1CCC([NH3+])(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001162055554 1025570431 /nfs/dbraw/zinc/57/04/31/1025570431.db2.gz FENONLQIQYWFSO-UHFFFAOYSA-N 2 2 379.426 3.958 20 0 GHADLP Cc1nc(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c2c([nH+]1)CCCC2 ZINC001162132343 1025623640 /nfs/dbraw/zinc/62/36/40/1025623640.db2.gz NFJZIJDOESKIDK-IAGOWNOFSA-N 2 2 380.536 3.885 20 0 GHADLP COc1cccc([C@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC001139060218 1025848770 /nfs/dbraw/zinc/84/87/70/1025848770.db2.gz MUXCDOKQUVOZBA-QHCPKHFHSA-N 2 2 380.532 3.907 20 0 GHADLP COc1cccc([C@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC001139060218 1025848782 /nfs/dbraw/zinc/84/87/82/1025848782.db2.gz MUXCDOKQUVOZBA-QHCPKHFHSA-N 2 2 380.532 3.907 20 0 GHADLP CC(=O)C1(c2ccccc2)CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001139062934 1025858820 /nfs/dbraw/zinc/85/88/20/1025858820.db2.gz YTHXAVIXJYIGDE-UHFFFAOYSA-N 2 2 392.543 3.642 20 0 GHADLP Fc1ccc2nc(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)ccc2c1 ZINC001141642175 1026003355 /nfs/dbraw/zinc/00/33/55/1026003355.db2.gz HEWOQFSCKPIYNB-UHFFFAOYSA-N 2 2 395.478 3.834 20 0 GHADLP Fc1ccc2nc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)ccc2c1 ZINC001141642175 1026003370 /nfs/dbraw/zinc/00/33/70/1026003370.db2.gz HEWOQFSCKPIYNB-UHFFFAOYSA-N 2 2 395.478 3.834 20 0 GHADLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3nc(-c4cccs4)oc3C)cn2)CC1 ZINC001461056432 1069365803 /nfs/dbraw/zinc/36/58/03/1069365803.db2.gz BXZJLRLXJAYPBU-UHFFFAOYSA-N 2 2 397.548 3.538 20 0 GHADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC001139332880 1026192334 /nfs/dbraw/zinc/19/23/34/1026192334.db2.gz BJOPOXCLABKFCR-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC001139332880 1026192341 /nfs/dbraw/zinc/19/23/41/1026192341.db2.gz BJOPOXCLABKFCR-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP [NH3+]CCCC[C@H](Nc1cc(SCc2ccccc2)cc[nH+]1)C(=O)N1CCCC1 ZINC001163457749 1026201874 /nfs/dbraw/zinc/20/18/74/1026201874.db2.gz ZOZBGQRLNJJTLB-FQEVSTJZSA-N 2 2 398.576 3.906 20 0 GHADLP CCOC(=O)CC1([NH3+])CCN(c2cc(SCc3ccccc3)cc[nH+]2)CC1 ZINC001163530687 1026226314 /nfs/dbraw/zinc/22/63/14/1026226314.db2.gz GOHSEMSIJLORPU-UHFFFAOYSA-N 2 2 385.533 3.625 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CCC4(CC[N@@H+](Cc5ccoc5)C4)CC3)cc2)c[nH+]1 ZINC001139360490 1026233725 /nfs/dbraw/zinc/23/37/25/1026233725.db2.gz XSJQWQPOLPQOPK-UHFFFAOYSA-N 3 2 376.504 3.953 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CCC4(CC[N@H+](Cc5ccoc5)C4)CC3)cc2)c[nH+]1 ZINC001139360490 1026233734 /nfs/dbraw/zinc/23/37/34/1026233734.db2.gz XSJQWQPOLPQOPK-UHFFFAOYSA-N 3 2 376.504 3.953 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[NH+]1CCCC[C@H]1C ZINC001141694281 1026271952 /nfs/dbraw/zinc/27/19/52/1026271952.db2.gz IFCPUARPRYTWPG-LVCYWYKZSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[NH+]1CCCC[C@H]1C ZINC001141694281 1026271961 /nfs/dbraw/zinc/27/19/61/1026271961.db2.gz IFCPUARPRYTWPG-LVCYWYKZSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)[N@@H+]1CCCC[C@H]1C ZINC001141694281 1026271970 /nfs/dbraw/zinc/27/19/70/1026271970.db2.gz IFCPUARPRYTWPG-LVCYWYKZSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)[N@H+]1CCCC[C@H]1C ZINC001141694281 1026271984 /nfs/dbraw/zinc/27/19/84/1026271984.db2.gz IFCPUARPRYTWPG-LVCYWYKZSA-N 2 2 375.532 3.559 20 0 GHADLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1N[C@@H](c1ccccc1)c1ccncc1 ZINC001164068182 1026401366 /nfs/dbraw/zinc/40/13/66/1026401366.db2.gz NWKVOGIKFRDCBU-NRFANRHFSA-N 2 2 388.519 3.557 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(OC)c(C(C)C)c3)CC2)C1 ZINC001139623781 1026490872 /nfs/dbraw/zinc/49/08/72/1026490872.db2.gz DPHPKQDBFCCCEE-IBGZPJMESA-N 2 2 388.552 3.668 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(OC)c(C(C)C)c3)CC2)C1 ZINC001139623781 1026490877 /nfs/dbraw/zinc/49/08/77/1026490877.db2.gz DPHPKQDBFCCCEE-IBGZPJMESA-N 2 2 388.552 3.668 20 0 GHADLP Cc1[nH+]c2c(n1-c1cc(Cl)nc(-c3ccc(F)c(Cl)c3)n1)CC[NH2+]CC2 ZINC001165356418 1026711735 /nfs/dbraw/zinc/71/17/35/1026711735.db2.gz PEFJYTFILROAJA-UHFFFAOYSA-N 2 2 392.265 3.772 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001140021395 1026805969 /nfs/dbraw/zinc/80/59/69/1026805969.db2.gz LNCBEUOKIHWJSC-KDURUIRLSA-N 2 2 382.508 3.764 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001140021395 1026805982 /nfs/dbraw/zinc/80/59/82/1026805982.db2.gz LNCBEUOKIHWJSC-KDURUIRLSA-N 2 2 382.508 3.764 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140027198 1026814464 /nfs/dbraw/zinc/81/44/64/1026814464.db2.gz BRKIWXZECGUORO-LJQANCHMSA-N 2 2 378.476 3.628 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140027198 1026814477 /nfs/dbraw/zinc/81/44/77/1026814477.db2.gz BRKIWXZECGUORO-LJQANCHMSA-N 2 2 378.476 3.628 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001140027333 1026814883 /nfs/dbraw/zinc/81/48/83/1026814883.db2.gz IUKFGAUMFFMXEI-OAQYLSRUSA-N 2 2 392.478 3.714 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001140027333 1026814894 /nfs/dbraw/zinc/81/48/94/1026814894.db2.gz IUKFGAUMFFMXEI-OAQYLSRUSA-N 2 2 392.478 3.714 20 0 GHADLP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C[C@@H]1c1ccccc1 ZINC001140029805 1026818660 /nfs/dbraw/zinc/81/86/60/1026818660.db2.gz TVWUMMLGMBBJQT-NHCUHLMSSA-N 2 2 375.472 3.569 20 0 GHADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C[C@@H]1c1ccccc1 ZINC001140029805 1026818668 /nfs/dbraw/zinc/81/86/68/1026818668.db2.gz TVWUMMLGMBBJQT-NHCUHLMSSA-N 2 2 375.472 3.569 20 0 GHADLP COc1c(Cl)cccc1C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001140060602 1026839686 /nfs/dbraw/zinc/83/96/86/1026839686.db2.gz GMYYMTYLYNVUDK-UHFFFAOYSA-N 2 2 388.943 3.713 20 0 GHADLP COc1c(Cl)cccc1C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001140060602 1026839692 /nfs/dbraw/zinc/83/96/92/1026839692.db2.gz GMYYMTYLYNVUDK-UHFFFAOYSA-N 2 2 388.943 3.713 20 0 GHADLP COc1cccc(-c2ncc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cn2)c1 ZINC001140194369 1026967664 /nfs/dbraw/zinc/96/76/64/1026967664.db2.gz CXLZUJDPADZXCG-NRFANRHFSA-N 2 2 380.536 3.993 20 0 GHADLP COc1cccc(-c2ncc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cn2)c1 ZINC001140194369 1026967667 /nfs/dbraw/zinc/96/76/67/1026967667.db2.gz CXLZUJDPADZXCG-NRFANRHFSA-N 2 2 380.536 3.993 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4ccccc4Cl)CC[C@@H]3C2)cs1 ZINC001203381822 1027300427 /nfs/dbraw/zinc/30/04/27/1027300427.db2.gz IPGWFKXMFDWPBI-YLJYHZDGSA-N 2 2 391.968 3.828 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4ccccc4Cl)CC[C@@H]3C2)cs1 ZINC001203381822 1027300443 /nfs/dbraw/zinc/30/04/43/1027300443.db2.gz IPGWFKXMFDWPBI-YLJYHZDGSA-N 2 2 391.968 3.828 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4ccccc4Cl)CC[C@@H]3C2)cs1 ZINC001203381822 1027300467 /nfs/dbraw/zinc/30/04/67/1027300467.db2.gz IPGWFKXMFDWPBI-YLJYHZDGSA-N 2 2 391.968 3.828 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4ccccc4Cl)CC[C@@H]3C2)cs1 ZINC001203381822 1027300482 /nfs/dbraw/zinc/30/04/82/1027300482.db2.gz IPGWFKXMFDWPBI-YLJYHZDGSA-N 2 2 391.968 3.828 20 0 GHADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001203672642 1027523620 /nfs/dbraw/zinc/52/36/20/1027523620.db2.gz TXNZNWAWXPQAJG-XMMPIXPASA-N 2 2 382.548 3.755 20 0 GHADLP C[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC001210546652 1027551260 /nfs/dbraw/zinc/55/12/60/1027551260.db2.gz ZIQKLKUNOUEDRD-UHFFFAOYSA-N 3 2 388.559 3.841 20 0 GHADLP C[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC001210546652 1027551281 /nfs/dbraw/zinc/55/12/81/1027551281.db2.gz ZIQKLKUNOUEDRD-UHFFFAOYSA-N 3 2 388.559 3.841 20 0 GHADLP C[C@H](CNC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC001211278155 1027883584 /nfs/dbraw/zinc/88/35/84/1027883584.db2.gz WKGHHBFGIQRIIO-QRVBRYPASA-N 2 2 389.588 3.790 20 0 GHADLP C[C@H](CNC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC001211278155 1027883608 /nfs/dbraw/zinc/88/36/08/1027883608.db2.gz WKGHHBFGIQRIIO-QRVBRYPASA-N 2 2 389.588 3.790 20 0 GHADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000841041919 1028061227 /nfs/dbraw/zinc/06/12/27/1028061227.db2.gz KDXXMCWKRIPEPQ-UHFFFAOYSA-N 2 2 397.954 3.866 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)C1 ZINC001142775185 1029432924 /nfs/dbraw/zinc/43/29/24/1029432924.db2.gz KWKYBJCVMCRAGP-XKRYSZRTSA-N 2 2 384.568 3.916 20 0 GHADLP O=C(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Nc1ccc(F)c(F)c1 ZINC000842662596 1029465681 /nfs/dbraw/zinc/46/56/81/1029465681.db2.gz ZGMVLGZBCPUUHE-GOSISDBHSA-N 2 2 385.458 3.690 20 0 GHADLP O=C(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Nc1ccc(F)c(F)c1 ZINC000842662596 1029465687 /nfs/dbraw/zinc/46/56/87/1029465687.db2.gz ZGMVLGZBCPUUHE-GOSISDBHSA-N 2 2 385.458 3.690 20 0 GHADLP CC[NH+](CC)[C@H](c1nc([C@@H]2CCC[NH2+]C2)no1)c1cccc(C(F)(F)F)c1 ZINC000842666772 1029469856 /nfs/dbraw/zinc/46/98/56/1029469856.db2.gz GMGILULSYYUTJM-ZBFHGGJFSA-N 2 2 382.430 3.987 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccnc3[nH]ccc31)CC2 ZINC001142872713 1029619541 /nfs/dbraw/zinc/61/95/41/1029619541.db2.gz IXNHOMXUTXNSHD-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccnc3[nH]ccc31)CC2 ZINC001142872713 1029619546 /nfs/dbraw/zinc/61/95/46/1029619546.db2.gz IXNHOMXUTXNSHD-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1ccnc3[nH]ccc31)C2 ZINC001142872725 1029619570 /nfs/dbraw/zinc/61/95/70/1029619570.db2.gz BCZVFQFHPDQVBR-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1ccnc3[nH]ccc31)C2 ZINC001142872725 1029619576 /nfs/dbraw/zinc/61/95/76/1029619576.db2.gz BCZVFQFHPDQVBR-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1ccnc3[nH]ccc31)C2 ZINC001142872725 1029619583 /nfs/dbraw/zinc/61/95/83/1029619583.db2.gz BCZVFQFHPDQVBR-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1ccnc3[nH]ccc31)C2 ZINC001142872725 1029619592 /nfs/dbraw/zinc/61/95/92/1029619592.db2.gz BCZVFQFHPDQVBR-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3c(C)cc(OC)cc3C)CC2)CC1 ZINC001142933671 1029713605 /nfs/dbraw/zinc/71/36/05/1029713605.db2.gz ZFTWHLKJVCNXBK-UHFFFAOYSA-N 2 2 388.552 3.552 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000843053413 1029788547 /nfs/dbraw/zinc/78/85/47/1029788547.db2.gz LSQKLPCUHJBXLC-YQQQUEKLSA-N 2 2 378.442 3.794 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000843053413 1029788555 /nfs/dbraw/zinc/78/85/55/1029788555.db2.gz LSQKLPCUHJBXLC-YQQQUEKLSA-N 2 2 378.442 3.794 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccccc1 ZINC001222126713 1029971677 /nfs/dbraw/zinc/97/16/77/1029971677.db2.gz DDMPDICUQPCWCU-FQEVSTJZSA-N 2 2 397.910 3.628 20 0 GHADLP Clc1cc(Br)cc(Cl)c1C[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC001222211938 1030008421 /nfs/dbraw/zinc/00/84/21/1030008421.db2.gz SKPDGULEOHCCNB-UHFFFAOYSA-N 2 2 394.140 3.710 20 0 GHADLP Oc1cc(F)cc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222591511 1030217544 /nfs/dbraw/zinc/21/75/44/1030217544.db2.gz VOJAFNNEKGILPP-NRFANRHFSA-N 2 2 384.495 3.835 20 0 GHADLP Oc1cc(F)cc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222591511 1030217559 /nfs/dbraw/zinc/21/75/59/1030217559.db2.gz VOJAFNNEKGILPP-NRFANRHFSA-N 2 2 384.495 3.835 20 0 GHADLP CCOC(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(Cl)c1 ZINC001222609870 1030234426 /nfs/dbraw/zinc/23/44/26/1030234426.db2.gz RVKGLCXIOWPAED-IBGZPJMESA-N 2 2 384.907 3.706 20 0 GHADLP CCOC(=O)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(Cl)c1 ZINC001222609870 1030234441 /nfs/dbraw/zinc/23/44/41/1030234441.db2.gz RVKGLCXIOWPAED-IBGZPJMESA-N 2 2 384.907 3.706 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC001150186728 1030440817 /nfs/dbraw/zinc/44/08/17/1030440817.db2.gz OTIOCTNLWIKRMH-MAODMQOUSA-N 2 2 385.939 3.722 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC001150186728 1030440821 /nfs/dbraw/zinc/44/08/21/1030440821.db2.gz OTIOCTNLWIKRMH-MAODMQOUSA-N 2 2 385.939 3.722 20 0 GHADLP CC(C)(C)c1ccc(C[C@@H]([NH3+])C(=O)Nc2ccnc(-c3cc(N)cc[nH+]3)c2)cc1 ZINC001218613627 1031005558 /nfs/dbraw/zinc/00/55/58/1031005558.db2.gz SKMFBECBWKXNBF-LJQANCHMSA-N 2 2 389.503 3.532 20 0 GHADLP CCc1cc(Oc2cccc(NC(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)c2)ccc1Cl ZINC001219230762 1031316598 /nfs/dbraw/zinc/31/65/98/1031316598.db2.gz WMSWCWKXCOQLGS-SBHAEUEKSA-N 2 2 385.895 3.855 20 0 GHADLP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC001225694275 1031547238 /nfs/dbraw/zinc/54/72/38/1031547238.db2.gz KPQWZQTULFGVRU-DHIUTWEWSA-N 2 2 392.547 3.652 20 0 GHADLP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC001225694275 1031547256 /nfs/dbraw/zinc/54/72/56/1031547256.db2.gz KPQWZQTULFGVRU-DHIUTWEWSA-N 2 2 392.547 3.652 20 0 GHADLP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001205650004 1033511533 /nfs/dbraw/zinc/51/15/33/1033511533.db2.gz ANWVQEPCHHTDBA-RXVVDRJESA-N 2 2 399.579 3.942 20 0 GHADLP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001205650004 1033511538 /nfs/dbraw/zinc/51/15/38/1033511538.db2.gz ANWVQEPCHHTDBA-RXVVDRJESA-N 2 2 399.579 3.942 20 0 GHADLP Cc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(C)cc1I ZINC001205703123 1033537638 /nfs/dbraw/zinc/53/76/38/1033537638.db2.gz WOTFKPJVSGWHFA-MAUKXSAKSA-N 2 2 398.332 3.824 20 0 GHADLP Cc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(C)cc1I ZINC001205703123 1033537656 /nfs/dbraw/zinc/53/76/56/1033537656.db2.gz WOTFKPJVSGWHFA-MAUKXSAKSA-N 2 2 398.332 3.824 20 0 GHADLP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(C)cc1I ZINC001205703123 1033537668 /nfs/dbraw/zinc/53/76/68/1033537668.db2.gz WOTFKPJVSGWHFA-MAUKXSAKSA-N 2 2 398.332 3.824 20 0 GHADLP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(C)cc1I ZINC001205703123 1033537684 /nfs/dbraw/zinc/53/76/84/1033537684.db2.gz WOTFKPJVSGWHFA-MAUKXSAKSA-N 2 2 398.332 3.824 20 0 GHADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCc3cnc(Cl)s3)cc2)CCC1(F)F ZINC001205768360 1033564633 /nfs/dbraw/zinc/56/46/33/1033564633.db2.gz FWFCVKQFPKTYLJ-ZDUSSCGKSA-N 2 2 387.883 3.791 20 0 GHADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCc3cnc(Cl)s3)cc2)CCC1(F)F ZINC001205768360 1033564639 /nfs/dbraw/zinc/56/46/39/1033564639.db2.gz FWFCVKQFPKTYLJ-ZDUSSCGKSA-N 2 2 387.883 3.791 20 0 GHADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001205813967 1033587042 /nfs/dbraw/zinc/58/70/42/1033587042.db2.gz AOPUWBOYUKMHSL-ZJSXRUAMSA-N 3 2 392.591 3.568 20 0 GHADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC001205916899 1033634816 /nfs/dbraw/zinc/63/48/16/1033634816.db2.gz WGPBHTIRVPAQPX-PWSUYJOCSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC001205916899 1033634820 /nfs/dbraw/zinc/63/48/20/1033634820.db2.gz WGPBHTIRVPAQPX-PWSUYJOCSA-N 2 2 381.236 3.907 20 0 GHADLP CCC[NH+]1C[C@H]2CN(c3ccc(-c4ccc(C(=O)OC)cc4)c(C)[nH+]3)C[C@@H]2C1 ZINC001157690788 1033725248 /nfs/dbraw/zinc/72/52/48/1033725248.db2.gz FHZXCANQGHIRJQ-PMACEKPBSA-N 2 2 379.504 3.622 20 0 GHADLP Fc1ccccc1C1(c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)CC[NH2+]CC1 ZINC001206183326 1033757017 /nfs/dbraw/zinc/75/70/17/1033757017.db2.gz KKQQTJVWIRSYFX-UHFFFAOYSA-N 2 2 389.434 3.731 20 0 GHADLP Cc1nc2c(c(O[C@@H]3CCC[N@@H+](C(C)C)C3)n1)CC[NH+](Cc1ccccc1)C2 ZINC001229897087 1033779894 /nfs/dbraw/zinc/77/98/94/1033779894.db2.gz CVEPEIVOMJGXCA-HXUWFJFHSA-N 2 2 380.536 3.595 20 0 GHADLP Cc1nc2c(c(O[C@@H]3CCC[N@H+](C(C)C)C3)n1)CC[NH+](Cc1ccccc1)C2 ZINC001229897087 1033779908 /nfs/dbraw/zinc/77/99/08/1033779908.db2.gz CVEPEIVOMJGXCA-HXUWFJFHSA-N 2 2 380.536 3.595 20 0 GHADLP Cc1nc2c(c(O[C@@H]3CCC[NH+](C(C)C)C3)n1)CC[N@H+](Cc1ccccc1)C2 ZINC001229897087 1033779926 /nfs/dbraw/zinc/77/99/26/1033779926.db2.gz CVEPEIVOMJGXCA-HXUWFJFHSA-N 2 2 380.536 3.595 20 0 GHADLP Cc1nc2c(c(O[C@@H]3CCC[NH+](C(C)C)C3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001229897087 1033779940 /nfs/dbraw/zinc/77/99/40/1033779940.db2.gz CVEPEIVOMJGXCA-HXUWFJFHSA-N 2 2 380.536 3.595 20 0 GHADLP COC(=O)c1ccc(Br)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206599693 1033920771 /nfs/dbraw/zinc/92/07/71/1033920771.db2.gz VRMFYMHCEAMPHM-MRXNPFEDSA-N 2 2 383.330 3.588 20 0 GHADLP COC(=O)c1ccc(Br)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206599693 1033920776 /nfs/dbraw/zinc/92/07/76/1033920776.db2.gz VRMFYMHCEAMPHM-MRXNPFEDSA-N 2 2 383.330 3.588 20 0 GHADLP COc1ccc([C@H]2CSCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001206716478 1033955351 /nfs/dbraw/zinc/95/53/51/1033955351.db2.gz BFDZYQAFNCPTAP-HSZRJFAPSA-N 2 2 398.572 3.818 20 0 GHADLP COc1ccc([C@H]2CSCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001206716478 1033955356 /nfs/dbraw/zinc/95/53/56/1033955356.db2.gz BFDZYQAFNCPTAP-HSZRJFAPSA-N 2 2 398.572 3.818 20 0 GHADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)cc1Br ZINC001206806750 1033992525 /nfs/dbraw/zinc/99/25/25/1033992525.db2.gz HLJOMTSDWSWCRB-MNOVXSKESA-N 2 2 381.236 3.907 20 0 GHADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)cc1Br ZINC001206806750 1033992531 /nfs/dbraw/zinc/99/25/31/1033992531.db2.gz HLJOMTSDWSWCRB-MNOVXSKESA-N 2 2 381.236 3.907 20 0 GHADLP CCCCOc1ccccc1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001206846077 1034030743 /nfs/dbraw/zinc/03/07/43/1034030743.db2.gz FHJKGUVAFGFSJP-XMMPIXPASA-N 2 2 382.548 3.934 20 0 GHADLP CCCCOc1ccccc1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001206846077 1034030757 /nfs/dbraw/zinc/03/07/57/1034030757.db2.gz FHJKGUVAFGFSJP-XMMPIXPASA-N 2 2 382.548 3.934 20 0 GHADLP CCCCOc1ccccc1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001206846077 1034030775 /nfs/dbraw/zinc/03/07/75/1034030775.db2.gz FHJKGUVAFGFSJP-XMMPIXPASA-N 2 2 382.548 3.934 20 0 GHADLP CCCCOc1ccccc1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001206846077 1034030789 /nfs/dbraw/zinc/03/07/89/1034030789.db2.gz FHJKGUVAFGFSJP-XMMPIXPASA-N 2 2 382.548 3.934 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC001207195519 1034165045 /nfs/dbraw/zinc/16/50/45/1034165045.db2.gz ADMUUBDVKMHKAK-KSNOWIBYSA-N 2 2 399.623 3.829 20 0 GHADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC001207195519 1034165053 /nfs/dbraw/zinc/16/50/53/1034165053.db2.gz ADMUUBDVKMHKAK-KSNOWIBYSA-N 2 2 399.623 3.829 20 0 GHADLP CCOCc1cnc2n1CC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)[C@@H]2C ZINC001207291830 1034243256 /nfs/dbraw/zinc/24/32/56/1034243256.db2.gz XJZCAXZESJWMLL-LJQANCHMSA-N 2 2 382.552 3.708 20 0 GHADLP CCOCc1cnc2n1CC[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)[C@@H]2C ZINC001207291830 1034243270 /nfs/dbraw/zinc/24/32/70/1034243270.db2.gz XJZCAXZESJWMLL-LJQANCHMSA-N 2 2 382.552 3.708 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC001207319095 1034268060 /nfs/dbraw/zinc/26/80/60/1034268060.db2.gz YWIZEYDEHHZIHB-QZTJIDSGSA-N 2 2 375.513 3.633 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC001207319095 1034268080 /nfs/dbraw/zinc/26/80/80/1034268080.db2.gz YWIZEYDEHHZIHB-QZTJIDSGSA-N 2 2 375.513 3.633 20 0 GHADLP C[N@H+](CCc1c(Cl)ncnc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC001207327333 1034276389 /nfs/dbraw/zinc/27/63/89/1034276389.db2.gz ZOGQJLPPPYBUKU-UHFFFAOYSA-N 2 2 379.335 3.922 20 0 GHADLP C[N@@H+](CCc1c(Cl)ncnc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC001207327333 1034276406 /nfs/dbraw/zinc/27/64/06/1034276406.db2.gz ZOGQJLPPPYBUKU-UHFFFAOYSA-N 2 2 379.335 3.922 20 0 GHADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](CCCc1cccc(Cl)c1)C2 ZINC001207589827 1034469763 /nfs/dbraw/zinc/46/97/63/1034469763.db2.gz UNLJQQPRIINAND-UHFFFAOYSA-N 2 2 375.948 3.610 20 0 GHADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](CCCc1cccc(Cl)c1)C2 ZINC001207589827 1034469778 /nfs/dbraw/zinc/46/97/78/1034469778.db2.gz UNLJQQPRIINAND-UHFFFAOYSA-N 2 2 375.948 3.610 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](CCCc1cccc(Cl)c1)C2 ZINC001207589827 1034469782 /nfs/dbraw/zinc/46/97/82/1034469782.db2.gz UNLJQQPRIINAND-UHFFFAOYSA-N 2 2 375.948 3.610 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](CCCc1cccc(Cl)c1)C2 ZINC001207589827 1034469789 /nfs/dbraw/zinc/46/97/89/1034469789.db2.gz UNLJQQPRIINAND-UHFFFAOYSA-N 2 2 375.948 3.610 20 0 GHADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](CCCc1ccc(Cl)cc1)C2 ZINC001207599025 1034477338 /nfs/dbraw/zinc/47/73/38/1034477338.db2.gz UUDVZVLNPPNQAG-UHFFFAOYSA-N 2 2 375.948 3.610 20 0 GHADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](CCCc1ccc(Cl)cc1)C2 ZINC001207599025 1034477344 /nfs/dbraw/zinc/47/73/44/1034477344.db2.gz UUDVZVLNPPNQAG-UHFFFAOYSA-N 2 2 375.948 3.610 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](CCCc1ccc(Cl)cc1)C2 ZINC001207599025 1034477356 /nfs/dbraw/zinc/47/73/56/1034477356.db2.gz UUDVZVLNPPNQAG-UHFFFAOYSA-N 2 2 375.948 3.610 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](CCCc1ccc(Cl)cc1)C2 ZINC001207599025 1034477366 /nfs/dbraw/zinc/47/73/66/1034477366.db2.gz UUDVZVLNPPNQAG-UHFFFAOYSA-N 2 2 375.948 3.610 20 0 GHADLP Cc1[nH+]c2c(Br)cc(C)cn2c1Nc1cccc(OCC[NH3+])c1 ZINC001159371301 1034568721 /nfs/dbraw/zinc/56/87/21/1034568721.db2.gz HLJBGOQRLBRMGB-UHFFFAOYSA-N 2 2 375.270 3.795 20 0 GHADLP FC(F)(F)c1cccc(CCC[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c1 ZINC001207842935 1034618082 /nfs/dbraw/zinc/61/80/82/1034618082.db2.gz FTAGYJFRJABFTA-UHFFFAOYSA-N 2 2 390.409 3.929 20 0 GHADLP FC(F)(F)c1cccc(CCC[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c1 ZINC001207842935 1034618094 /nfs/dbraw/zinc/61/80/94/1034618094.db2.gz FTAGYJFRJABFTA-UHFFFAOYSA-N 2 2 390.409 3.929 20 0 GHADLP FC1(F)CC[N@H+](Cc2c[nH]c3cnccc23)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001231517723 1034668255 /nfs/dbraw/zinc/66/82/55/1034668255.db2.gz DNAVWKHIIVKYCW-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[N@@H+](Cc2c[nH]c3cnccc23)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001231517723 1034668260 /nfs/dbraw/zinc/66/82/60/1034668260.db2.gz DNAVWKHIIVKYCW-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2c[nH]c3cnccc23)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001231517723 1034668266 /nfs/dbraw/zinc/66/82/66/1034668266.db2.gz DNAVWKHIIVKYCW-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2c[nH]c3cnccc23)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001231517723 1034668272 /nfs/dbraw/zinc/66/82/72/1034668272.db2.gz DNAVWKHIIVKYCW-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP COc1ccc2c[nH+]c(N[C@H]3CC[C@H]([NH+]4CCN(CC5CC5)CC4)CC3)cc2c1 ZINC001159625949 1034693473 /nfs/dbraw/zinc/69/34/73/1034693473.db2.gz PTRMBCCAVXPUCW-HZCBDIJESA-N 2 2 394.563 3.994 20 0 GHADLP COc1ccc2c[nH+]c(N[C@H]3CC[C@H](N4CC[NH+](CC5CC5)CC4)CC3)cc2c1 ZINC001159625949 1034693478 /nfs/dbraw/zinc/69/34/78/1034693478.db2.gz PTRMBCCAVXPUCW-HZCBDIJESA-N 2 2 394.563 3.994 20 0 GHADLP C[NH+](C)CC1(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CCCC1 ZINC001208190556 1034784669 /nfs/dbraw/zinc/78/46/69/1034784669.db2.gz GJKXTTPQYCGWHU-ACIOBRDBSA-N 3 2 384.612 3.736 20 0 GHADLP C[NH+](C)CC1(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CCCC1 ZINC001208190556 1034784676 /nfs/dbraw/zinc/78/46/76/1034784676.db2.gz GJKXTTPQYCGWHU-ACIOBRDBSA-N 3 2 384.612 3.736 20 0 GHADLP C[NH+](C)CC1(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CCCC1 ZINC001208190556 1034784683 /nfs/dbraw/zinc/78/46/83/1034784683.db2.gz GJKXTTPQYCGWHU-ACIOBRDBSA-N 3 2 384.612 3.736 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3c(C)sc4ccccc43)C2)C1 ZINC001231644397 1034803709 /nfs/dbraw/zinc/80/37/09/1034803709.db2.gz XTJNEHHHJHQBLF-QFIPXVFZSA-N 2 2 388.577 3.771 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3c(C)sc4ccccc43)C2)C1 ZINC001231644397 1034803718 /nfs/dbraw/zinc/80/37/18/1034803718.db2.gz XTJNEHHHJHQBLF-QFIPXVFZSA-N 2 2 388.577 3.771 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3c(C)sc4ccccc43)C2)C1 ZINC001231644397 1034803724 /nfs/dbraw/zinc/80/37/24/1034803724.db2.gz XTJNEHHHJHQBLF-QFIPXVFZSA-N 2 2 388.577 3.771 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3c(C)sc4ccccc43)C2)C1 ZINC001231644397 1034803734 /nfs/dbraw/zinc/80/37/34/1034803734.db2.gz XTJNEHHHJHQBLF-QFIPXVFZSA-N 2 2 388.577 3.771 20 0 GHADLP c1cc2n(c1)CC[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)[C@H]2c1ccccc1 ZINC001206673686 1034857199 /nfs/dbraw/zinc/85/71/99/1034857199.db2.gz LCAPOWDTDFWKGX-VWLOTQADSA-N 2 2 387.527 3.926 20 0 GHADLP c1cc2n(c1)CC[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)[C@H]2c1ccccc1 ZINC001206673686 1034857215 /nfs/dbraw/zinc/85/72/15/1034857215.db2.gz LCAPOWDTDFWKGX-VWLOTQADSA-N 2 2 387.527 3.926 20 0 GHADLP CC(C)Oc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231756827 1034886678 /nfs/dbraw/zinc/88/66/78/1034886678.db2.gz BSNAXHYESHIRLA-PMOQBDJRSA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1ncccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231756827 1034886685 /nfs/dbraw/zinc/88/66/85/1034886685.db2.gz BSNAXHYESHIRLA-PMOQBDJRSA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1ncccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231756827 1034886691 /nfs/dbraw/zinc/88/66/91/1034886691.db2.gz BSNAXHYESHIRLA-PMOQBDJRSA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1ncccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231756827 1034886695 /nfs/dbraw/zinc/88/66/95/1034886695.db2.gz BSNAXHYESHIRLA-PMOQBDJRSA-N 2 2 394.563 3.996 20 0 GHADLP C[NH+]1CCN(C2CC[NH+](Cc3c(F)cccc3Oc3ccccc3)CC2)CC1 ZINC001231865991 1034953100 /nfs/dbraw/zinc/95/31/00/1034953100.db2.gz BLRUKZCVCVOHOJ-UHFFFAOYSA-N 2 2 383.511 3.830 20 0 GHADLP c1ccc(COCCCCC[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC001208810264 1035032970 /nfs/dbraw/zinc/03/29/70/1035032970.db2.gz GBEXGLLUXFZJOW-DHIUTWEWSA-N 2 2 379.548 3.832 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001232002003 1035036181 /nfs/dbraw/zinc/03/61/81/1035036181.db2.gz IQHRCJVPEMBTNR-QZTJIDSGSA-N 2 2 375.438 3.973 20 0 GHADLP c1c(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)[nH]c2cc[nH+]cc12 ZINC001232013731 1035044671 /nfs/dbraw/zinc/04/46/71/1035044671.db2.gz SXYAZDUIESAJHY-URXFXBBRSA-N 3 2 394.563 3.523 20 0 GHADLP c1c(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)[nH]c2cc[nH+]cc12 ZINC001232013731 1035044678 /nfs/dbraw/zinc/04/46/78/1035044678.db2.gz SXYAZDUIESAJHY-URXFXBBRSA-N 3 2 394.563 3.523 20 0 GHADLP c1c(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)[nH]c2cc[nH+]cc12 ZINC001232013731 1035044690 /nfs/dbraw/zinc/04/46/90/1035044690.db2.gz SXYAZDUIESAJHY-URXFXBBRSA-N 3 2 394.563 3.523 20 0 GHADLP c1c(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)[nH]c2cc[nH+]cc12 ZINC001232013731 1035044696 /nfs/dbraw/zinc/04/46/96/1035044696.db2.gz SXYAZDUIESAJHY-URXFXBBRSA-N 3 2 394.563 3.523 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[NH+](C[C@@H]4CCC[N@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208935758 1035102404 /nfs/dbraw/zinc/10/24/04/1035102404.db2.gz LJWBAMCPFDVKQK-CYXNTTPDSA-N 3 2 389.587 3.962 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[NH+](C[C@@H]4CCC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208935758 1035102408 /nfs/dbraw/zinc/10/24/08/1035102408.db2.gz LJWBAMCPFDVKQK-CYXNTTPDSA-N 3 2 389.587 3.962 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](C[C@@H]4CCC[NH+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208935758 1035102416 /nfs/dbraw/zinc/10/24/16/1035102416.db2.gz LJWBAMCPFDVKQK-CYXNTTPDSA-N 3 2 389.587 3.962 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](C[C@@H]4CCC[NH+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208935758 1035102420 /nfs/dbraw/zinc/10/24/20/1035102420.db2.gz LJWBAMCPFDVKQK-CYXNTTPDSA-N 3 2 389.587 3.962 20 0 GHADLP COc1cc2c(cc1OC)C[N@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208936205 1035103696 /nfs/dbraw/zinc/10/36/96/1035103696.db2.gz MNMJVSCVIIJEQQ-FQEVSTJZSA-N 2 2 380.532 3.974 20 0 GHADLP COc1cc2c(cc1OC)C[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208936205 1035103699 /nfs/dbraw/zinc/10/36/99/1035103699.db2.gz MNMJVSCVIIJEQQ-FQEVSTJZSA-N 2 2 380.532 3.974 20 0 GHADLP COc1cc2c(cc1OC)C[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208936205 1035103704 /nfs/dbraw/zinc/10/37/04/1035103704.db2.gz MNMJVSCVIIJEQQ-FQEVSTJZSA-N 2 2 380.532 3.974 20 0 GHADLP COc1cc2c(cc1OC)C[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208936205 1035103708 /nfs/dbraw/zinc/10/37/08/1035103708.db2.gz MNMJVSCVIIJEQQ-FQEVSTJZSA-N 2 2 380.532 3.974 20 0 GHADLP C[C@H]1CC(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)C[C@H](C)O1 ZINC001209380414 1035263824 /nfs/dbraw/zinc/26/38/24/1035263824.db2.gz MENLUVWHGQSMEZ-ROUUACIJSA-N 2 2 383.536 3.868 20 0 GHADLP C[C@H]1CC(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)C[C@H](C)O1 ZINC001209380414 1035263830 /nfs/dbraw/zinc/26/38/30/1035263830.db2.gz MENLUVWHGQSMEZ-ROUUACIJSA-N 2 2 383.536 3.868 20 0 GHADLP C[C@H]1CC(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)C[C@H](C)O1 ZINC001209380414 1035263834 /nfs/dbraw/zinc/26/38/34/1035263834.db2.gz MENLUVWHGQSMEZ-ROUUACIJSA-N 2 2 383.536 3.868 20 0 GHADLP C[C@H]1CC(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)C[C@H](C)O1 ZINC001209380414 1035263839 /nfs/dbraw/zinc/26/38/39/1035263839.db2.gz MENLUVWHGQSMEZ-ROUUACIJSA-N 2 2 383.536 3.868 20 0 GHADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc(N5CCCC5)nc4)C[C@@H]3C2)cc1 ZINC001209626200 1035336151 /nfs/dbraw/zinc/33/61/51/1035336151.db2.gz QWJHHMJYBFUWNL-ZRZAMGCNSA-N 2 2 376.548 3.554 20 0 GHADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(N5CCCC5)nc4)C[C@@H]3C2)cc1 ZINC001209626200 1035336155 /nfs/dbraw/zinc/33/61/55/1035336155.db2.gz QWJHHMJYBFUWNL-ZRZAMGCNSA-N 2 2 376.548 3.554 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(N5CCCC5)nc4)C[C@@H]3C2)cc1 ZINC001209626200 1035336158 /nfs/dbraw/zinc/33/61/58/1035336158.db2.gz QWJHHMJYBFUWNL-ZRZAMGCNSA-N 2 2 376.548 3.554 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc(N5CCCC5)nc4)C[C@@H]3C2)cc1 ZINC001209626200 1035336161 /nfs/dbraw/zinc/33/61/61/1035336161.db2.gz QWJHHMJYBFUWNL-ZRZAMGCNSA-N 2 2 376.548 3.554 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4c(cnn4[C@H]4CCCCO4)c3)cc2)C1 ZINC001242449739 1035910256 /nfs/dbraw/zinc/91/02/56/1035910256.db2.gz AOMBMYRTNCBAER-FYYLOGMGSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4c(cnn4[C@H]4CCCCO4)c3)cc2)C1 ZINC001242449739 1035910260 /nfs/dbraw/zinc/91/02/60/1035910260.db2.gz AOMBMYRTNCBAER-FYYLOGMGSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3c(cnn3[C@H]3CCCCO3)c2)C1 ZINC001242451518 1035911093 /nfs/dbraw/zinc/91/10/93/1035911093.db2.gz PFHDNOKNRALVGE-NFBKMPQASA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3c(cnn3[C@H]3CCCCO3)c2)C1 ZINC001242451518 1035911100 /nfs/dbraw/zinc/91/11/00/1035911100.db2.gz PFHDNOKNRALVGE-NFBKMPQASA-N 2 2 376.504 3.935 20 0 GHADLP Cc1noc2ccc(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)cc12 ZINC001248695475 1036061664 /nfs/dbraw/zinc/06/16/64/1036061664.db2.gz WECAAFSPOOCMMU-UHFFFAOYSA-N 2 2 381.476 3.596 20 0 GHADLP Cc1noc2ccc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)cc12 ZINC001248695475 1036061674 /nfs/dbraw/zinc/06/16/74/1036061674.db2.gz WECAAFSPOOCMMU-UHFFFAOYSA-N 2 2 381.476 3.596 20 0 GHADLP CCOc1ccc(F)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1Br ZINC001243250655 1036077015 /nfs/dbraw/zinc/07/70/15/1036077015.db2.gz GSOKPBCWCGJABC-UHFFFAOYSA-N 2 2 390.256 3.988 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001248784864 1036146531 /nfs/dbraw/zinc/14/65/31/1036146531.db2.gz CYMLXAGXLNHNGB-UHFFFAOYSA-N 2 2 384.524 3.698 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001248784864 1036146536 /nfs/dbraw/zinc/14/65/36/1036146536.db2.gz CYMLXAGXLNHNGB-UHFFFAOYSA-N 2 2 384.524 3.698 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3Cl)cc2)C1 ZINC001243486887 1036165415 /nfs/dbraw/zinc/16/54/15/1036165415.db2.gz LYQPXXZTGKJRKX-IBGZPJMESA-N 2 2 383.923 3.776 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3Cl)cc2)C1 ZINC001243486887 1036165425 /nfs/dbraw/zinc/16/54/25/1036165425.db2.gz LYQPXXZTGKJRKX-IBGZPJMESA-N 2 2 383.923 3.776 20 0 GHADLP Cn1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c2c1ccnc2Cl ZINC001248835309 1036191913 /nfs/dbraw/zinc/19/19/13/1036191913.db2.gz ALMDPEGXWLVKNK-GASCZTMLSA-N 2 2 386.952 3.852 20 0 GHADLP Cn1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c2c1ccnc2Cl ZINC001248835309 1036191917 /nfs/dbraw/zinc/19/19/17/1036191917.db2.gz ALMDPEGXWLVKNK-GASCZTMLSA-N 2 2 386.952 3.852 20 0 GHADLP Cn1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c2c1ccnc2Cl ZINC001248835309 1036191920 /nfs/dbraw/zinc/19/19/20/1036191920.db2.gz ALMDPEGXWLVKNK-GASCZTMLSA-N 2 2 386.952 3.852 20 0 GHADLP Cn1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c2c1ccnc2Cl ZINC001248835309 1036191924 /nfs/dbraw/zinc/19/19/24/1036191924.db2.gz ALMDPEGXWLVKNK-GASCZTMLSA-N 2 2 386.952 3.852 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)c1cc(Cl)ccc1Cl ZINC001245975949 1037102004 /nfs/dbraw/zinc/10/20/04/1037102004.db2.gz AGQVYDRLPGVXQA-KTTLUUMZSA-N 2 2 389.273 3.853 20 0 GHADLP COc1ccc2cc(CC[C@H](C)[NH2+]C[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)ccc2c1 ZINC001246149351 1037216504 /nfs/dbraw/zinc/21/65/04/1037216504.db2.gz UUPYEXJCHKOUPZ-AVRDEDQJSA-N 3 2 381.564 3.633 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@H]2Cc3ccc(Cl)cc3NC2=O)CC[NH2+]1 ZINC001246324780 1037295877 /nfs/dbraw/zinc/29/58/77/1037295877.db2.gz HFPBAJGOYSATBI-VDGAXYAQSA-N 2 2 387.886 3.734 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]Cc2cc(OCC3CCC3)ncn2)CC[NH2+]1 ZINC001246383328 1037342676 /nfs/dbraw/zinc/34/26/76/1037342676.db2.gz HVQAGRSYKYLGBI-NQIIRXRSSA-N 2 2 384.499 3.686 20 0 GHADLP [NH3+]CCC[C@H]([NH2+][C@H]1CCc2c(Cl)cccc2C1)C(=O)OCc1ccccc1 ZINC001246400511 1037358183 /nfs/dbraw/zinc/35/81/83/1037358183.db2.gz GQYMMEZUQMBXGU-RXVVDRJESA-N 2 2 386.923 3.638 20 0 GHADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+][C@H](Cc3ccccc3)C1)CO2 ZINC001246503879 1037445945 /nfs/dbraw/zinc/44/59/45/1037445945.db2.gz MAUIXXDYKYTKCQ-SCTDSRPQSA-N 2 2 387.321 3.836 20 0 GHADLP COc1cccc([C@H](C[NH3+])[NH2+][C@H]2CCc3ccc(Br)cc3C2)c1 ZINC001246513015 1037450546 /nfs/dbraw/zinc/45/05/46/1037450546.db2.gz UQTWXYFVFIECBN-HKUYNNGSSA-N 2 2 375.310 3.605 20 0 GHADLP COC(=O)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC001246525179 1037457273 /nfs/dbraw/zinc/45/72/73/1037457273.db2.gz MPQUYSGDDGQKDM-ACJLOTCBSA-N 2 2 396.409 3.592 20 0 GHADLP COc1ccccc1N1CC[NH+]([C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)CC1 ZINC001246535764 1037471294 /nfs/dbraw/zinc/47/12/94/1037471294.db2.gz KPUKXDVQPQFDTO-PZJWPPBQSA-N 2 2 383.511 3.758 20 0 GHADLP C[C@@H]1CC[C@H]([NH+]2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)C[NH2+]1 ZINC001246694324 1037553540 /nfs/dbraw/zinc/55/35/40/1037553540.db2.gz LUVTXLQBIBWESL-XLIONFOSSA-N 2 2 389.547 3.955 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([N@H+]2CCc3ncnc(OC(C)C)c3CC2)CC[NH2+]1 ZINC001246710374 1037561229 /nfs/dbraw/zinc/56/12/29/1037561229.db2.gz USRBJZPBVMDKJE-XMSQKQJNSA-N 2 2 398.526 3.605 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([N@@H+]2CCc3ncnc(OC(C)C)c3CC2)CC[NH2+]1 ZINC001246710374 1037561245 /nfs/dbraw/zinc/56/12/45/1037561245.db2.gz USRBJZPBVMDKJE-XMSQKQJNSA-N 2 2 398.526 3.605 20 0 GHADLP Cc1cccc(N2CCC[C@]3(C2)C[N@@H+]([C@H]2CC[NH2+][C@H](C(C)(C)C)C2)CCO3)c1 ZINC001246715481 1037567832 /nfs/dbraw/zinc/56/78/32/1037567832.db2.gz BUQZZCSQTRXDKV-FIXSFTCYSA-N 2 2 385.596 3.833 20 0 GHADLP Cc1cccc(N2CCC[C@]3(C2)C[N@H+]([C@H]2CC[NH2+][C@H](C(C)(C)C)C2)CCO3)c1 ZINC001246715481 1037567847 /nfs/dbraw/zinc/56/78/47/1037567847.db2.gz BUQZZCSQTRXDKV-FIXSFTCYSA-N 2 2 385.596 3.833 20 0 GHADLP c1ccc(-c2ccc3nc(C4CC[NH+]([C@H]5CCCC[NH2+]C5)CC4)nn3c2)cc1 ZINC001246734517 1037579698 /nfs/dbraw/zinc/57/96/98/1037579698.db2.gz SVKOMPLPGUGWMJ-NRFANRHFSA-N 2 2 375.520 3.718 20 0 GHADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)CC[NH2+]1 ZINC001246749936 1037590016 /nfs/dbraw/zinc/59/00/16/1037590016.db2.gz FKYAQCVFMGRIAS-LQWHRVPQSA-N 2 2 375.582 3.878 20 0 GHADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)CC[NH2+]1 ZINC001246749936 1037590041 /nfs/dbraw/zinc/59/00/41/1037590041.db2.gz FKYAQCVFMGRIAS-LQWHRVPQSA-N 2 2 375.582 3.878 20 0 GHADLP c1ccc(C[C@@H]2C[C@@H]([NH+]3CCN(c4nccc5ccccc54)CC3)CC[NH2+]2)cc1 ZINC001246811200 1037644660 /nfs/dbraw/zinc/64/46/60/1037644660.db2.gz ORTNNZCGBSRQPF-PKTZIBPZSA-N 2 2 386.543 3.720 20 0 GHADLP CCOC(=O)C1(CC)CC[NH+]([C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)CC1 ZINC001246909624 1037717035 /nfs/dbraw/zinc/71/70/35/1037717035.db2.gz FYBPMNLNBDPARF-ICSRJNTNSA-N 2 2 376.516 3.983 20 0 GHADLP c1ccc(C[NH+](Cc2ccccc2)C2CCC([N@@H+]3C[C@@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001246922316 1037729404 /nfs/dbraw/zinc/72/94/04/1037729404.db2.gz VRGBIXOHDOWWQN-OJVSJSBUSA-N 3 2 375.560 3.904 20 0 GHADLP c1ccc(C[NH+](Cc2ccccc2)C2CCC([N@H+]3C[C@@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001246922316 1037729429 /nfs/dbraw/zinc/72/94/29/1037729429.db2.gz VRGBIXOHDOWWQN-OJVSJSBUSA-N 3 2 375.560 3.904 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246953365 1037759380 /nfs/dbraw/zinc/75/93/80/1037759380.db2.gz BNTLTNRYIARKDM-BEFAXECRSA-N 2 2 380.479 3.641 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246953365 1037759400 /nfs/dbraw/zinc/75/94/00/1037759400.db2.gz BNTLTNRYIARKDM-BEFAXECRSA-N 2 2 380.479 3.641 20 0 GHADLP Brc1ccc(C2CCC([N@@H+]3CC[C@@]4(C3)C[NH2+]CCO4)CC2)cc1 ZINC001246990107 1037815466 /nfs/dbraw/zinc/81/54/66/1037815466.db2.gz VBBPHUDOGYRZEX-KVZIAJEVSA-N 2 2 379.342 3.540 20 0 GHADLP Brc1ccc(C2CCC([N@H+]3CC[C@@]4(C3)C[NH2+]CCO4)CC2)cc1 ZINC001246990107 1037815491 /nfs/dbraw/zinc/81/54/91/1037815491.db2.gz VBBPHUDOGYRZEX-KVZIAJEVSA-N 2 2 379.342 3.540 20 0 GHADLP c1ccc(C(c2ccccc2)[NH+]2CC3(C2)CC[N@@H+]([C@H]2CCC4(C[NH2+]C4)C2)C3)cc1 ZINC001246998234 1037820570 /nfs/dbraw/zinc/82/05/70/1037820570.db2.gz YCFIXACKWLGXPE-QHCPKHFHSA-N 3 2 387.571 3.926 20 0 GHADLP c1ccc(C(c2ccccc2)[NH+]2CC3(C2)CC[N@H+]([C@H]2CCC4(C[NH2+]C4)C2)C3)cc1 ZINC001246998234 1037820593 /nfs/dbraw/zinc/82/05/93/1037820593.db2.gz YCFIXACKWLGXPE-QHCPKHFHSA-N 3 2 387.571 3.926 20 0 GHADLP CC(=O)Nc1nc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)cs1 ZINC001232286220 1038019639 /nfs/dbraw/zinc/01/96/39/1038019639.db2.gz GYVJEFIBWKLINP-UHFFFAOYSA-N 2 2 398.576 3.980 20 0 GHADLP Fc1cc(-c2noc([C@H]3CCc4[nH+]ccn4C3)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247295510 1038082147 /nfs/dbraw/zinc/08/21/47/1038082147.db2.gz XNMAJNVLDLXJBW-KBXCAEBGSA-N 2 2 390.422 3.534 20 0 GHADLP COc1cc(C)c(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cn1 ZINC001232354310 1038133996 /nfs/dbraw/zinc/13/39/96/1038133996.db2.gz HNMOIUDFRWHZID-UHFFFAOYSA-N 2 2 392.503 3.577 20 0 GHADLP COc1cc(C)c(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cn1 ZINC001232354310 1038134000 /nfs/dbraw/zinc/13/40/00/1038134000.db2.gz HNMOIUDFRWHZID-UHFFFAOYSA-N 2 2 392.503 3.577 20 0 GHADLP COc1cc(C)c(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)cn1 ZINC001232354310 1038134011 /nfs/dbraw/zinc/13/40/11/1038134011.db2.gz HNMOIUDFRWHZID-UHFFFAOYSA-N 2 2 392.503 3.577 20 0 GHADLP COc1cc(C)c(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)cn1 ZINC001232354310 1038134017 /nfs/dbraw/zinc/13/40/17/1038134017.db2.gz HNMOIUDFRWHZID-UHFFFAOYSA-N 2 2 392.503 3.577 20 0 GHADLP O=C1CCC2(CC[NH+](Cc3cc(Cl)cs3)CC2)CN1CCn1cc[nH+]c1 ZINC001277675142 1038280753 /nfs/dbraw/zinc/28/07/53/1038280753.db2.gz YWRIFNSUEHPMDW-UHFFFAOYSA-N 2 2 392.956 3.503 20 0 GHADLP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc(C3([NH3+])CCCCCC3)n2)c1 ZINC001247639042 1038286916 /nfs/dbraw/zinc/28/69/16/1038286916.db2.gz MPFRENJCPRMCAY-UHFFFAOYSA-N 2 2 379.464 3.633 20 0 GHADLP Cc1cc(F)c(-c2noc(-c3ccc([C@@H]([NH3+])C[NH3+])cc3)n2)cc1Br ZINC001247699009 1038336848 /nfs/dbraw/zinc/33/68/48/1038336848.db2.gz IFYTWVKMOBFLIH-HNNXBMFYSA-N 2 2 391.244 3.572 20 0 GHADLP Cc1cc(-c2noc(-c3ccc([C@H]([NH3+])C[NH3+])cc3)n2)cc(C)c1Br ZINC001247702338 1038341393 /nfs/dbraw/zinc/34/13/93/1038341393.db2.gz VQNLZQRRWBOVRI-OAHLLOKOSA-N 2 2 387.281 3.741 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)ccn1 ZINC001232769585 1038543649 /nfs/dbraw/zinc/54/36/49/1038543649.db2.gz JTESPBHEZZIYAW-DSKINZAPSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)ccn1 ZINC001232769585 1038543655 /nfs/dbraw/zinc/54/36/55/1038543655.db2.gz JTESPBHEZZIYAW-DSKINZAPSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)ccn1 ZINC001232769585 1038543657 /nfs/dbraw/zinc/54/36/57/1038543657.db2.gz JTESPBHEZZIYAW-DSKINZAPSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)ccn1 ZINC001232769585 1038543663 /nfs/dbraw/zinc/54/36/63/1038543663.db2.gz JTESPBHEZZIYAW-DSKINZAPSA-N 2 2 399.560 3.662 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001232768893 1038543821 /nfs/dbraw/zinc/54/38/21/1038543821.db2.gz YCRWPUNXBBGPIS-UHFFFAOYSA-N 2 2 393.597 3.957 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001232768893 1038543829 /nfs/dbraw/zinc/54/38/29/1038543829.db2.gz YCRWPUNXBBGPIS-UHFFFAOYSA-N 2 2 393.597 3.957 20 0 GHADLP Cc1nc([C@H]2CC[N@H+](C[C@@]3(C(C)(C)C)CC[NH+](Cc4ccccc4)C3)C2)n[nH]1 ZINC001462317862 1070165889 /nfs/dbraw/zinc/16/58/89/1070165889.db2.gz YKQYOWNREAAWOH-REWPJTCUSA-N 2 2 381.568 3.841 20 0 GHADLP Cc1nc([C@H]2CC[N@@H+](C[C@@]3(C(C)(C)C)CC[NH+](Cc4ccccc4)C3)C2)n[nH]1 ZINC001462317862 1070165892 /nfs/dbraw/zinc/16/58/92/1070165892.db2.gz YKQYOWNREAAWOH-REWPJTCUSA-N 2 2 381.568 3.841 20 0 GHADLP Cc1nc([C@H]2CC[NH+](C[C@@]3(C(C)(C)C)CC[N@H+](Cc4ccccc4)C3)C2)n[nH]1 ZINC001462317862 1070165897 /nfs/dbraw/zinc/16/58/97/1070165897.db2.gz YKQYOWNREAAWOH-REWPJTCUSA-N 2 2 381.568 3.841 20 0 GHADLP Cc1nc([C@H]2CC[NH+](C[C@@]3(C(C)(C)C)CC[N@@H+](Cc4ccccc4)C3)C2)n[nH]1 ZINC001462317862 1070165902 /nfs/dbraw/zinc/16/59/02/1070165902.db2.gz YKQYOWNREAAWOH-REWPJTCUSA-N 2 2 381.568 3.841 20 0 GHADLP COc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1NC(=O)OC(C)(C)C ZINC001233130643 1038915488 /nfs/dbraw/zinc/91/54/88/1038915488.db2.gz PJWCYRZSWTUFND-OAQYLSRUSA-N 2 2 375.513 3.570 20 0 GHADLP COc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1NC(=O)OC(C)(C)C ZINC001233130643 1038915493 /nfs/dbraw/zinc/91/54/93/1038915493.db2.gz PJWCYRZSWTUFND-OAQYLSRUSA-N 2 2 375.513 3.570 20 0 GHADLP COc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1NC(=O)OC(C)(C)C ZINC001233130643 1038915497 /nfs/dbraw/zinc/91/54/97/1038915497.db2.gz PJWCYRZSWTUFND-OAQYLSRUSA-N 2 2 375.513 3.570 20 0 GHADLP COc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1NC(=O)OC(C)(C)C ZINC001233130643 1038915499 /nfs/dbraw/zinc/91/54/99/1038915499.db2.gz PJWCYRZSWTUFND-OAQYLSRUSA-N 2 2 375.513 3.570 20 0 GHADLP O[C@@]1(C[NH2+]Cc2c(F)cccc2C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001252947243 1039292060 /nfs/dbraw/zinc/29/20/60/1039292060.db2.gz YFGQRGGSUBSYKH-LJQANCHMSA-N 2 2 382.401 3.571 20 0 GHADLP O[C@@]1(C[NH2+]Cc2c(F)cccc2C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001252947243 1039292064 /nfs/dbraw/zinc/29/20/64/1039292064.db2.gz YFGQRGGSUBSYKH-LJQANCHMSA-N 2 2 382.401 3.571 20 0 GHADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC001253377515 1039587715 /nfs/dbraw/zinc/58/77/15/1039587715.db2.gz SDWBVTYCKSOVLT-OAQYLSRUSA-N 2 2 378.438 3.700 20 0 GHADLP COc1cc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)ccc1-n1cc[nH+]c1 ZINC001234033266 1039776169 /nfs/dbraw/zinc/77/61/69/1039776169.db2.gz QSQWKYONOAKTIU-UHFFFAOYSA-N 2 2 375.472 3.976 20 0 GHADLP COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234075451 1039815164 /nfs/dbraw/zinc/81/51/64/1039815164.db2.gz JXEOOBRDJBQTQP-GOSISDBHSA-N 2 2 395.503 3.927 20 0 GHADLP COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234075451 1039815189 /nfs/dbraw/zinc/81/51/89/1039815189.db2.gz JXEOOBRDJBQTQP-GOSISDBHSA-N 2 2 395.503 3.927 20 0 GHADLP COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1ccc(-n3cc[nH+]c3)c(OC)c1)C2 ZINC001234076233 1039815479 /nfs/dbraw/zinc/81/54/79/1039815479.db2.gz TUZRUBIANOZJHQ-GOSISDBHSA-N 2 2 393.487 3.670 20 0 GHADLP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1ccc(-n3cc[nH+]c3)c(OC)c1)C2 ZINC001234076233 1039815503 /nfs/dbraw/zinc/81/55/03/1039815503.db2.gz TUZRUBIANOZJHQ-GOSISDBHSA-N 2 2 393.487 3.670 20 0 GHADLP CC(C)Oc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001254007960 1039949739 /nfs/dbraw/zinc/94/97/39/1039949739.db2.gz MJGVHUVILQKGNV-OAQYLSRUSA-N 2 2 395.503 3.531 20 0 GHADLP CC(C)Oc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001254007960 1039949742 /nfs/dbraw/zinc/94/97/42/1039949742.db2.gz MJGVHUVILQKGNV-OAQYLSRUSA-N 2 2 395.503 3.531 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[N@@H+]3CCC[C@H]3CNc3cccc(C)[nH+]3)cc12 ZINC001254010343 1039951441 /nfs/dbraw/zinc/95/14/41/1039951441.db2.gz BETNEOZCGQCDAX-INIZCTEOSA-N 2 2 384.915 3.710 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[N@H+]3CCC[C@H]3CNc3cccc(C)[nH+]3)cc12 ZINC001254010343 1039951448 /nfs/dbraw/zinc/95/14/48/1039951448.db2.gz BETNEOZCGQCDAX-INIZCTEOSA-N 2 2 384.915 3.710 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cc(F)c(Br)cc1F ZINC001462436435 1070251619 /nfs/dbraw/zinc/25/16/19/1070251619.db2.gz IEBLBJXQLRZQCZ-LLVKDONJSA-N 2 2 391.300 3.613 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C12CCC2 ZINC001462437350 1070253012 /nfs/dbraw/zinc/25/30/12/1070253012.db2.gz FQEAUJLDQLUYCP-RBUKOAKNSA-N 2 2 377.573 3.915 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C12CCC2 ZINC001462437350 1070253025 /nfs/dbraw/zinc/25/30/25/1070253025.db2.gz FQEAUJLDQLUYCP-RBUKOAKNSA-N 2 2 377.573 3.915 20 0 GHADLP CC[NH+](CC)[C@@H]1CCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)C1 ZINC001235033991 1040527764 /nfs/dbraw/zinc/52/77/64/1040527764.db2.gz IFUIKLOWJBWPST-MRXNPFEDSA-N 2 2 377.330 3.551 20 0 GHADLP CC(C)Oc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(Br)cn1 ZINC001235038671 1040531029 /nfs/dbraw/zinc/53/10/29/1040531029.db2.gz KVJHWPSQKKMHKC-GOSISDBHSA-N 2 2 382.346 3.739 20 0 GHADLP CC(C)Oc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(Br)cn1 ZINC001235038671 1040531047 /nfs/dbraw/zinc/53/10/47/1040531047.db2.gz KVJHWPSQKKMHKC-GOSISDBHSA-N 2 2 382.346 3.739 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(N4CCCC4)c3)CC2)C1 ZINC001235083378 1040569470 /nfs/dbraw/zinc/56/94/70/1040569470.db2.gz CCBRCZPLGWDAGG-NRFANRHFSA-N 2 2 399.579 3.526 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(N4CCCC4)c3)CC2)C1 ZINC001235083378 1040569484 /nfs/dbraw/zinc/56/94/84/1040569484.db2.gz CCBRCZPLGWDAGG-NRFANRHFSA-N 2 2 399.579 3.526 20 0 GHADLP FC(F)(F)Oc1cc(C[NH+]2CC3(C2)CC[NH2+]CC3)ccc1Br ZINC001235092999 1040584161 /nfs/dbraw/zinc/58/41/61/1040584161.db2.gz NELVSVDRBBWGDI-UHFFFAOYSA-N 2 2 379.220 3.533 20 0 GHADLP O=C1N(CC2CC2)[C@H](c2ccccc2)C12CC[NH+]([C@@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254861540 1040605338 /nfs/dbraw/zinc/60/53/38/1040605338.db2.gz UFGIJHWKGRDSSO-DHIUTWEWSA-N 2 2 393.575 3.546 20 0 GHADLP Clc1ccccc1-c1ccc(C[N@@H+]2CCCO[C@]3(C[NH2+]CCOC3)C2)cc1 ZINC001235202762 1040689348 /nfs/dbraw/zinc/68/93/48/1040689348.db2.gz VDTLMTKKZPVDMG-JOCHJYFZSA-N 2 2 386.923 3.588 20 0 GHADLP Clc1ccccc1-c1ccc(C[N@H+]2CCCO[C@]3(C[NH2+]CCOC3)C2)cc1 ZINC001235202762 1040689349 /nfs/dbraw/zinc/68/93/49/1040689349.db2.gz VDTLMTKKZPVDMG-JOCHJYFZSA-N 2 2 386.923 3.588 20 0 GHADLP COC(=O)c1ccnc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)c1 ZINC001235203334 1040690192 /nfs/dbraw/zinc/69/01/92/1040690192.db2.gz NKJOROIMURUZOP-IOMROCGXSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)c1 ZINC001235203334 1040690198 /nfs/dbraw/zinc/69/01/98/1040690198.db2.gz NKJOROIMURUZOP-IOMROCGXSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccnc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)c1 ZINC001235203334 1040690205 /nfs/dbraw/zinc/69/02/05/1040690205.db2.gz NKJOROIMURUZOP-IOMROCGXSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccnc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)c1 ZINC001235203334 1040690211 /nfs/dbraw/zinc/69/02/11/1040690211.db2.gz NKJOROIMURUZOP-IOMROCGXSA-N 2 2 399.560 3.662 20 0 GHADLP COc1ccc2c(c1)c(C[N@@H+]1CCC[C@]13C[NH2+]C[C@@H]3c1ccccc1)cn2C ZINC001235249537 1040730499 /nfs/dbraw/zinc/73/04/99/1040730499.db2.gz RCNNLZJDFAEIFD-ISKFKSNPSA-N 2 2 375.516 3.909 20 0 GHADLP COc1ccc2c(c1)c(C[N@H+]1CCC[C@]13C[NH2+]C[C@@H]3c1ccccc1)cn2C ZINC001235249537 1040730513 /nfs/dbraw/zinc/73/05/13/1040730513.db2.gz RCNNLZJDFAEIFD-ISKFKSNPSA-N 2 2 375.516 3.909 20 0 GHADLP [NH3+]C1(Cc2ccccn2)CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255131049 1040825514 /nfs/dbraw/zinc/82/55/14/1040825514.db2.gz MAJQOSHQMUGRHF-BKFWDETESA-N 3 2 390.575 3.613 20 0 GHADLP [NH3+]C1(Cc2ccccn2)CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255131049 1040825522 /nfs/dbraw/zinc/82/55/22/1040825522.db2.gz MAJQOSHQMUGRHF-BKFWDETESA-N 3 2 390.575 3.613 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(OC)cc1Cl ZINC001235355303 1040833321 /nfs/dbraw/zinc/83/33/21/1040833321.db2.gz NNCVLCNYUDZHFR-XMSQKQJNSA-N 2 2 386.923 3.936 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(OC)cc1Cl ZINC001235355303 1040833335 /nfs/dbraw/zinc/83/33/35/1040833335.db2.gz NNCVLCNYUDZHFR-XMSQKQJNSA-N 2 2 386.923 3.936 20 0 GHADLP CN(C)c1ccnc(Cl)c1C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235377344 1040888996 /nfs/dbraw/zinc/88/89/96/1040888996.db2.gz APRVCLRKMPBKFZ-AVRDEDQJSA-N 2 2 384.955 3.554 20 0 GHADLP CN(C)c1ccnc(Cl)c1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235377344 1040889005 /nfs/dbraw/zinc/88/90/05/1040889005.db2.gz APRVCLRKMPBKFZ-AVRDEDQJSA-N 2 2 384.955 3.554 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235384154 1040904319 /nfs/dbraw/zinc/90/43/19/1040904319.db2.gz RGHCDFKFTNISFJ-REWPJTCUSA-N 2 2 398.934 3.880 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235384154 1040904324 /nfs/dbraw/zinc/90/43/24/1040904324.db2.gz RGHCDFKFTNISFJ-REWPJTCUSA-N 2 2 398.934 3.880 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255403467 1040991129 /nfs/dbraw/zinc/99/11/29/1040991129.db2.gz SDLYFPGWCAVNJU-QFIPXVFZSA-N 3 2 378.564 3.984 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255403467 1040991130 /nfs/dbraw/zinc/99/11/30/1040991130.db2.gz SDLYFPGWCAVNJU-QFIPXVFZSA-N 3 2 378.564 3.984 20 0 GHADLP CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)c2ccccc21 ZINC001235615475 1041036731 /nfs/dbraw/zinc/03/67/31/1041036731.db2.gz MATYMTLHSOYNGV-LEWJYISDSA-N 2 2 397.607 3.908 20 0 GHADLP CC[NH2+]C1CC[NH+](Cc2ccccc2OCc2ccc(C(=O)OC)cc2)CC1 ZINC001235725557 1041211540 /nfs/dbraw/zinc/21/15/40/1041211540.db2.gz JGQBBARNHIWOTI-UHFFFAOYSA-N 2 2 382.504 3.626 20 0 GHADLP CCCCc1[nH]cc(CN2CC[NH2+][C@H](c3cccc(Br)c3)C2)[nH+]1 ZINC001235802129 1041311052 /nfs/dbraw/zinc/31/10/52/1041311052.db2.gz XOELADVFHAXWQY-KRWDZBQOSA-N 2 2 377.330 3.661 20 0 GHADLP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Br)cc1N1CCCCC1 ZINC001235812393 1041323813 /nfs/dbraw/zinc/32/38/13/1041323813.db2.gz UUMBIUQRBOXSQA-BCDXTJNWSA-N 2 2 378.358 3.894 20 0 GHADLP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Br)cc1N1CCCCC1 ZINC001235812393 1041323827 /nfs/dbraw/zinc/32/38/27/1041323827.db2.gz UUMBIUQRBOXSQA-BCDXTJNWSA-N 2 2 378.358 3.894 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C1 ZINC001255899857 1041383494 /nfs/dbraw/zinc/38/34/94/1041383494.db2.gz TXHDTVMODXNTSB-RTWAWAEBSA-N 2 2 387.568 3.683 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)c1cccc(OC)c1 ZINC001255955052 1041434907 /nfs/dbraw/zinc/43/49/07/1041434907.db2.gz MZFGSJHNPFQNBL-XLIONFOSSA-N 2 2 393.572 3.971 20 0 GHADLP Cc1cnc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1Br ZINC001235975594 1041479918 /nfs/dbraw/zinc/47/99/18/1041479918.db2.gz YEYQXZCPJUHOCA-UHFFFAOYSA-N 2 2 386.337 3.790 20 0 GHADLP Cc1cnc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1Br ZINC001235975594 1041479925 /nfs/dbraw/zinc/47/99/25/1041479925.db2.gz YEYQXZCPJUHOCA-UHFFFAOYSA-N 2 2 386.337 3.790 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccccc2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001256211420 1041650998 /nfs/dbraw/zinc/65/09/98/1041650998.db2.gz WWORZGZOGYMSJG-OAQYLSRUSA-N 2 2 387.568 3.982 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001256211420 1041651003 /nfs/dbraw/zinc/65/10/03/1041651003.db2.gz WWORZGZOGYMSJG-OAQYLSRUSA-N 2 2 387.568 3.982 20 0 GHADLP Fc1ccccc1CN(Cc1c[nH+]cn1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236357311 1041681422 /nfs/dbraw/zinc/68/14/22/1041681422.db2.gz PRDJPWFZQMGGAZ-NRFANRHFSA-N 2 2 378.495 3.825 20 0 GHADLP COC(=O)c1cccc2[nH]cc(C[N@H+](Cc3ccccc3F)C3CC[NH2+]CC3)c21 ZINC001236373198 1041686149 /nfs/dbraw/zinc/68/61/49/1041686149.db2.gz XZFIBXPOTDPSBM-UHFFFAOYSA-N 2 2 395.478 3.848 20 0 GHADLP COC(=O)c1cccc2[nH]cc(C[N@@H+](Cc3ccccc3F)C3CC[NH2+]CC3)c21 ZINC001236373198 1041686152 /nfs/dbraw/zinc/68/61/52/1041686152.db2.gz XZFIBXPOTDPSBM-UHFFFAOYSA-N 2 2 395.478 3.848 20 0 GHADLP Fc1ccc(CN(Cc2c[nH+]cn2Cc2ccccc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236389892 1041695361 /nfs/dbraw/zinc/69/53/61/1041695361.db2.gz ALTCLHXFBCMTQS-QFIPXVFZSA-N 2 2 378.495 3.825 20 0 GHADLP C[N@H+](Cc1ccc(OCc2ccccc2)c(Br)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412711 1041706181 /nfs/dbraw/zinc/70/61/81/1041706181.db2.gz LHRKUKWQQBLHSJ-YRWFTTLQSA-N 2 2 387.321 3.678 20 0 GHADLP C[N@@H+](Cc1ccc(OCc2ccccc2)c(Br)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412711 1041706190 /nfs/dbraw/zinc/70/61/90/1041706190.db2.gz LHRKUKWQQBLHSJ-YRWFTTLQSA-N 2 2 387.321 3.678 20 0 GHADLP Clc1cc(CN(Cc2ccncc2)[C@@H]2CCC[NH2+]C2)ccc1-n1cc[nH+]c1 ZINC001236438868 1041711193 /nfs/dbraw/zinc/71/11/93/1041711193.db2.gz FLOFSNGLIHIOPJ-LJQANCHMSA-N 2 2 381.911 3.675 20 0 GHADLP C[C@@H](Cc1ccccn1)[NH2+]C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001256402204 1041719591 /nfs/dbraw/zinc/71/95/91/1041719591.db2.gz FLQCGOCRGAETNA-OFVILXPXSA-N 2 2 389.543 3.666 20 0 GHADLP CCOCC[N@H+](Cc1ccc(F)cc1OCc1ccccc1)C1CC[NH2+]CC1 ZINC001236462880 1041725016 /nfs/dbraw/zinc/72/50/16/1041725016.db2.gz ZBENJHNDZSEDRD-UHFFFAOYSA-N 2 2 386.511 3.995 20 0 GHADLP CCOCC[N@@H+](Cc1ccc(F)cc1OCc1ccccc1)C1CC[NH2+]CC1 ZINC001236462880 1041725024 /nfs/dbraw/zinc/72/50/24/1041725024.db2.gz ZBENJHNDZSEDRD-UHFFFAOYSA-N 2 2 386.511 3.995 20 0 GHADLP COC(=O)c1cccc(C[N@H+](Cc2cc3ccccc3[nH]2)C2CC[NH2+]CC2)c1 ZINC001236466353 1041728229 /nfs/dbraw/zinc/72/82/29/1041728229.db2.gz ZKRQVYXKJLQXTK-UHFFFAOYSA-N 2 2 377.488 3.709 20 0 GHADLP COC(=O)c1cccc(C[N@@H+](Cc2cc3ccccc3[nH]2)C2CC[NH2+]CC2)c1 ZINC001236466353 1041728237 /nfs/dbraw/zinc/72/82/37/1041728237.db2.gz ZKRQVYXKJLQXTK-UHFFFAOYSA-N 2 2 377.488 3.709 20 0 GHADLP COC(=O)c1cccc(C[N@H+](Cc2cc(Cl)cs2)C2CC[NH2+]CC2)c1 ZINC001236467007 1041729069 /nfs/dbraw/zinc/72/90/69/1041729069.db2.gz OMAPKQOUDLBMQP-UHFFFAOYSA-N 2 2 378.925 3.942 20 0 GHADLP COC(=O)c1cccc(C[N@@H+](Cc2cc(Cl)cs2)C2CC[NH2+]CC2)c1 ZINC001236467007 1041729073 /nfs/dbraw/zinc/72/90/73/1041729073.db2.gz OMAPKQOUDLBMQP-UHFFFAOYSA-N 2 2 378.925 3.942 20 0 GHADLP Fc1ccc(CN(Cc2ccc(-n3cc[nH+]c3)cc2)C2CC[NH2+]CC2)c(F)c1 ZINC001236506535 1041744905 /nfs/dbraw/zinc/74/49/05/1041744905.db2.gz MUJPFEXWNMSEHV-UHFFFAOYSA-N 2 2 382.458 3.905 20 0 GHADLP Oc1ccc(C[N@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)c2cccnc12 ZINC001236505566 1041745264 /nfs/dbraw/zinc/74/52/64/1041745264.db2.gz XBNLCVZOUHLRFB-UHFFFAOYSA-N 2 2 383.442 3.973 20 0 GHADLP Oc1ccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)c2cccnc12 ZINC001236505566 1041745270 /nfs/dbraw/zinc/74/52/70/1041745270.db2.gz XBNLCVZOUHLRFB-UHFFFAOYSA-N 2 2 383.442 3.973 20 0 GHADLP COc1ccc(C[N@H+](Cc2c[nH]nc2-c2ccccc2)C2CC[NH2+]CC2)cc1F ZINC001236514498 1041748144 /nfs/dbraw/zinc/74/81/44/1041748144.db2.gz CEPRYSBICFVVSD-UHFFFAOYSA-N 2 2 394.494 3.979 20 0 GHADLP COc1ccc(C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C2CC[NH2+]CC2)cc1F ZINC001236514498 1041748151 /nfs/dbraw/zinc/74/81/51/1041748151.db2.gz CEPRYSBICFVVSD-UHFFFAOYSA-N 2 2 394.494 3.979 20 0 GHADLP COc1ccc(C[N@H+](Cc2cc(F)cc(N(C)C)c2)C2CC[NH2+]CC2)cc1F ZINC001236517546 1041749743 /nfs/dbraw/zinc/74/97/43/1041749743.db2.gz JZZPNEMPFPSKLN-UHFFFAOYSA-N 2 2 389.490 3.794 20 0 GHADLP COc1ccc(C[N@@H+](Cc2cc(F)cc(N(C)C)c2)C2CC[NH2+]CC2)cc1F ZINC001236517546 1041749751 /nfs/dbraw/zinc/74/97/51/1041749751.db2.gz JZZPNEMPFPSKLN-UHFFFAOYSA-N 2 2 389.490 3.794 20 0 GHADLP COc1cc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cc(Br)c1OC ZINC001236648330 1041802489 /nfs/dbraw/zinc/80/24/89/1041802489.db2.gz PRYJIRZZUCDVNJ-MRXNPFEDSA-N 2 2 397.357 3.963 20 0 GHADLP COc1cc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cc(Br)c1OC ZINC001236648330 1041802494 /nfs/dbraw/zinc/80/24/94/1041802494.db2.gz PRYJIRZZUCDVNJ-MRXNPFEDSA-N 2 2 397.357 3.963 20 0 GHADLP CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)CC[C@@H]21 ZINC001236916471 1041956159 /nfs/dbraw/zinc/95/61/59/1041956159.db2.gz DOMNOMCXRXLQCJ-PXNSSMCTSA-N 2 2 386.927 3.605 20 0 GHADLP CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)CC[C@@H]21 ZINC001236916471 1041956163 /nfs/dbraw/zinc/95/61/63/1041956163.db2.gz DOMNOMCXRXLQCJ-PXNSSMCTSA-N 2 2 386.927 3.605 20 0 GHADLP C[NH+]1CCN(c2cc(Br)ccc2C[N@@H+]2CCCC[C@@H](F)C2)CC1 ZINC001237093673 1042032321 /nfs/dbraw/zinc/03/23/21/1042032321.db2.gz ZNHNTBMRAWZVRD-QGZVFWFLSA-N 2 2 384.337 3.525 20 0 GHADLP C[NH+]1CCN(c2cc(Br)ccc2C[N@H+]2CCCC[C@@H](F)C2)CC1 ZINC001237093673 1042032325 /nfs/dbraw/zinc/03/23/25/1042032325.db2.gz ZNHNTBMRAWZVRD-QGZVFWFLSA-N 2 2 384.337 3.525 20 0 GHADLP COc1cccc2c(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)ccnc12 ZINC001237106507 1042040224 /nfs/dbraw/zinc/04/02/24/1042040224.db2.gz SPGRBDPGUJQAFH-HDICACEKSA-N 2 2 379.529 3.869 20 0 GHADLP COc1cccc2c(C[N@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)ccnc12 ZINC001237106507 1042040229 /nfs/dbraw/zinc/04/02/29/1042040229.db2.gz SPGRBDPGUJQAFH-HDICACEKSA-N 2 2 379.529 3.869 20 0 GHADLP COc1cccc2c(C[NH+]3C[C@@H]4C[N@H+](Cc5cccs5)C[C@@H]4C3)ccnc12 ZINC001237106507 1042040236 /nfs/dbraw/zinc/04/02/36/1042040236.db2.gz SPGRBDPGUJQAFH-HDICACEKSA-N 2 2 379.529 3.869 20 0 GHADLP COc1cccc2c(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccs5)C[C@@H]4C3)ccnc12 ZINC001237106507 1042040242 /nfs/dbraw/zinc/04/02/42/1042040242.db2.gz SPGRBDPGUJQAFH-HDICACEKSA-N 2 2 379.529 3.869 20 0 GHADLP Fc1cccc2c(C[NH+]3CCN(c4cc[nH+]c(N5CCCC5)n4)CC3)cccc12 ZINC001237520059 1042247998 /nfs/dbraw/zinc/24/79/98/1042247998.db2.gz ZIJSKLBDCAKDCC-UHFFFAOYSA-N 2 2 391.494 3.691 20 0 GHADLP COCC[N@H+](Cc1ccc(-c2ccc(C(=O)OC)cc2)cc1)C1CC[NH+](C)CC1 ZINC001237824287 1042387272 /nfs/dbraw/zinc/38/72/72/1042387272.db2.gz GAPJFDDFONAJHH-UHFFFAOYSA-N 2 2 396.531 3.683 20 0 GHADLP COCC[N@@H+](Cc1ccc(-c2ccc(C(=O)OC)cc2)cc1)C1CC[NH+](C)CC1 ZINC001237824287 1042387273 /nfs/dbraw/zinc/38/72/73/1042387273.db2.gz GAPJFDDFONAJHH-UHFFFAOYSA-N 2 2 396.531 3.683 20 0 GHADLP CCOc1cc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)ccc1C ZINC001238075062 1042482218 /nfs/dbraw/zinc/48/22/18/1042482218.db2.gz WPXFPDYVYDPRHZ-UHFFFAOYSA-N 2 2 382.552 3.758 20 0 GHADLP CCOc1cc(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)ccc1C ZINC001238075062 1042482221 /nfs/dbraw/zinc/48/22/21/1042482221.db2.gz WPXFPDYVYDPRHZ-UHFFFAOYSA-N 2 2 382.552 3.758 20 0 GHADLP CCCNC(=O)c1ccccc1OC1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238115558 1042496280 /nfs/dbraw/zinc/49/62/80/1042496280.db2.gz IKFPRHLKLGRFAB-UHFFFAOYSA-N 2 2 392.503 3.518 20 0 GHADLP CC[NH+](CC)CCCN1CC[NH+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC001238369284 1042572800 /nfs/dbraw/zinc/57/28/00/1042572800.db2.gz HWCLELSDZVCIIF-UHFFFAOYSA-N 2 2 396.579 3.510 20 0 GHADLP CCOc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)c(Cl)c1 ZINC001238397715 1042583811 /nfs/dbraw/zinc/58/38/11/1042583811.db2.gz VJCYLGDHKHCQNC-UGKGYDQZSA-N 2 2 392.971 3.919 20 0 GHADLP CCOc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)c(Cl)c1 ZINC001238397715 1042583813 /nfs/dbraw/zinc/58/38/13/1042583813.db2.gz VJCYLGDHKHCQNC-UGKGYDQZSA-N 2 2 392.971 3.919 20 0 GHADLP CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c(Cl)c1 ZINC001238397715 1042583816 /nfs/dbraw/zinc/58/38/16/1042583816.db2.gz VJCYLGDHKHCQNC-UGKGYDQZSA-N 2 2 392.971 3.919 20 0 GHADLP CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)c(Cl)c1 ZINC001238397715 1042583819 /nfs/dbraw/zinc/58/38/19/1042583819.db2.gz VJCYLGDHKHCQNC-UGKGYDQZSA-N 2 2 392.971 3.919 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(C)cc(F)cc1Cl)C2 ZINC001238784052 1042726007 /nfs/dbraw/zinc/72/60/07/1042726007.db2.gz UNKDLJFJCALKAY-UTKZUKDTSA-N 2 2 380.935 3.968 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(C)cc(F)cc1Cl)C2 ZINC001238784052 1042726012 /nfs/dbraw/zinc/72/60/12/1042726012.db2.gz UNKDLJFJCALKAY-UTKZUKDTSA-N 2 2 380.935 3.968 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1c(C)cc(F)cc1Cl)C2 ZINC001238784052 1042726018 /nfs/dbraw/zinc/72/60/18/1042726018.db2.gz UNKDLJFJCALKAY-UTKZUKDTSA-N 2 2 380.935 3.968 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1c(C)cc(F)cc1Cl)C2 ZINC001238784052 1042726027 /nfs/dbraw/zinc/72/60/27/1042726027.db2.gz UNKDLJFJCALKAY-UTKZUKDTSA-N 2 2 380.935 3.968 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](C2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)CC2)C1 ZINC001239461352 1042832885 /nfs/dbraw/zinc/83/28/85/1042832885.db2.gz QQSWTPYTGVQQNP-KRWDZBQOSA-N 2 2 396.560 3.673 20 0 GHADLP [NH3+][C@H]1CC[N@H+](C2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)CC2)C1 ZINC001239461352 1042832889 /nfs/dbraw/zinc/83/28/89/1042832889.db2.gz QQSWTPYTGVQQNP-KRWDZBQOSA-N 2 2 396.560 3.673 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CC[NH+](C)CC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256524881 1043450771 /nfs/dbraw/zinc/45/07/71/1043450771.db2.gz ZTDXWVCYFYONAW-QPPBQGQZSA-N 3 2 392.591 3.581 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CC[NH+](C)CC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001256524881 1043450786 /nfs/dbraw/zinc/45/07/86/1043450786.db2.gz ZTDXWVCYFYONAW-QPPBQGQZSA-N 3 2 392.591 3.581 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3NC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001256527905 1043455340 /nfs/dbraw/zinc/45/53/40/1043455340.db2.gz BDWGTHXWSGOBDD-VMRPVKRXSA-N 2 2 383.923 3.846 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3NC2=O)CC[N@H+]1Cc1ccccc1 ZINC001256527905 1043455349 /nfs/dbraw/zinc/45/53/49/1043455349.db2.gz BDWGTHXWSGOBDD-VMRPVKRXSA-N 2 2 383.923 3.846 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256535862 1043476455 /nfs/dbraw/zinc/47/64/55/1043476455.db2.gz AZRUPUDFCCXIRG-WZONZLPQSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256535862 1043476468 /nfs/dbraw/zinc/47/64/68/1043476468.db2.gz AZRUPUDFCCXIRG-WZONZLPQSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256535862 1043476472 /nfs/dbraw/zinc/47/64/72/1043476472.db2.gz AZRUPUDFCCXIRG-WZONZLPQSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256535862 1043476479 /nfs/dbraw/zinc/47/64/79/1043476479.db2.gz AZRUPUDFCCXIRG-WZONZLPQSA-N 2 2 378.516 3.884 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256545573 1043502548 /nfs/dbraw/zinc/50/25/48/1043502548.db2.gz GCCGZOROVLCICB-JHMXWDHMSA-N 2 2 395.591 3.764 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)CC[N@H+]1Cc1ccccc1 ZINC001256545573 1043502552 /nfs/dbraw/zinc/50/25/52/1043502552.db2.gz GCCGZOROVLCICB-JHMXWDHMSA-N 2 2 395.591 3.764 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)CC[NH+]1Cc1ccccc1 ZINC001256545573 1043502562 /nfs/dbraw/zinc/50/25/62/1043502562.db2.gz GCCGZOROVLCICB-JHMXWDHMSA-N 2 2 395.591 3.764 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)CC[NH+]1Cc1ccccc1 ZINC001256545573 1043502579 /nfs/dbraw/zinc/50/25/79/1043502579.db2.gz GCCGZOROVLCICB-JHMXWDHMSA-N 2 2 395.591 3.764 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCCN(C(=O)c3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256561653 1043537148 /nfs/dbraw/zinc/53/71/48/1043537148.db2.gz ZBWZMINECPDZRZ-ZJSXRUAMSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCCN(C(=O)c3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256561653 1043537160 /nfs/dbraw/zinc/53/71/60/1043537160.db2.gz ZBWZMINECPDZRZ-ZJSXRUAMSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+]2CCCN(C(=O)c3ccccc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256561653 1043537167 /nfs/dbraw/zinc/53/71/67/1043537167.db2.gz ZBWZMINECPDZRZ-ZJSXRUAMSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@@H]1C[C@H]([N@H+]2CCCN(C(=O)c3ccccc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256561653 1043537173 /nfs/dbraw/zinc/53/71/73/1043537173.db2.gz ZBWZMINECPDZRZ-ZJSXRUAMSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001256882167 1043719848 /nfs/dbraw/zinc/71/98/48/1043719848.db2.gz HAYJYEQRHPBUHZ-MRXNPFEDSA-N 2 2 384.490 3.779 20 0 GHADLP CC[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257129076 1043876434 /nfs/dbraw/zinc/87/64/34/1043876434.db2.gz STYQQKLNUKPLMS-RBUKOAKNSA-N 2 2 388.556 3.818 20 0 GHADLP CCCCCC1CCC([N@@H+]2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)CC1 ZINC001257373568 1043973986 /nfs/dbraw/zinc/97/39/86/1043973986.db2.gz OKDWHQRVNMDFEF-UHFFFAOYSA-N 2 2 387.616 3.585 20 0 GHADLP CCCCCC1CCC([N@H+]2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)CC1 ZINC001257373568 1043973994 /nfs/dbraw/zinc/97/39/94/1043973994.db2.gz OKDWHQRVNMDFEF-UHFFFAOYSA-N 2 2 387.616 3.585 20 0 GHADLP CC(C)C[NH+]1CCC([NH2+][C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001258001666 1044329496 /nfs/dbraw/zinc/32/94/96/1044329496.db2.gz ZVCVPEQYTMYMIZ-HXUWFJFHSA-N 2 2 375.557 3.962 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](C4CC[NH+](CC(C)C)CC4)CC3)C2)cc1 ZINC001258015459 1044341444 /nfs/dbraw/zinc/34/14/44/1044341444.db2.gz UZMOCISJHDZZAA-UHFFFAOYSA-N 3 2 399.623 3.782 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C4CC[NH+](CC(C)C)CC4)CC3)C2)cc1 ZINC001258015459 1044341455 /nfs/dbraw/zinc/34/14/55/1044341455.db2.gz UZMOCISJHDZZAA-UHFFFAOYSA-N 3 2 399.623 3.782 20 0 GHADLP Fc1cccc(Cn2cncc2C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001258137130 1044422437 /nfs/dbraw/zinc/42/24/37/1044422437.db2.gz BITAXZPUTAZTJA-UHFFFAOYSA-N 2 2 392.522 3.867 20 0 GHADLP Cc1ccccc1CN1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258138047 1044423677 /nfs/dbraw/zinc/42/36/77/1044423677.db2.gz QIZSXFCIVMFLTI-VWLOTQADSA-N 2 2 377.576 3.866 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@@H+]3C[C@H]4CCN(Cc5ccccc5)[C@H]4C3)CC2)cc1 ZINC001258146070 1044435615 /nfs/dbraw/zinc/43/56/15/1044435615.db2.gz QYQDLRVKZXQDGC-RSXGOPAZSA-N 2 2 389.587 3.900 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@H+]3C[C@H]4CCN(Cc5ccccc5)[C@H]4C3)CC2)cc1 ZINC001258146070 1044435617 /nfs/dbraw/zinc/43/56/17/1044435617.db2.gz QYQDLRVKZXQDGC-RSXGOPAZSA-N 2 2 389.587 3.900 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]43)CC2)cc1 ZINC001258149130 1044439901 /nfs/dbraw/zinc/43/99/01/1044439901.db2.gz ZDIRPBLZBAQOPD-RSXGOPAZSA-N 2 2 389.587 3.900 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]43)CC2)cc1 ZINC001258149130 1044439907 /nfs/dbraw/zinc/43/99/07/1044439907.db2.gz ZDIRPBLZBAQOPD-RSXGOPAZSA-N 2 2 389.587 3.900 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCC([N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)C[C@@H](C)C1 ZINC001258171821 1044452802 /nfs/dbraw/zinc/45/28/02/1044452802.db2.gz SXGGLBONQCFXFT-RMJJICAUSA-N 2 2 379.589 3.875 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCC([N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)C[C@@H](C)C1 ZINC001258171821 1044452806 /nfs/dbraw/zinc/45/28/06/1044452806.db2.gz SXGGLBONQCFXFT-RMJJICAUSA-N 2 2 379.589 3.875 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2OC)cc1 ZINC001258397136 1044534104 /nfs/dbraw/zinc/53/41/04/1044534104.db2.gz GKHGXFPIQDNSRP-WUMKDDEVSA-N 2 2 382.548 3.895 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2OC)cc1 ZINC001258397136 1044534118 /nfs/dbraw/zinc/53/41/18/1044534118.db2.gz GKHGXFPIQDNSRP-WUMKDDEVSA-N 2 2 382.548 3.895 20 0 GHADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000479048950 1044667888 /nfs/dbraw/zinc/66/78/88/1044667888.db2.gz AECHGCPDTUDBLY-DLBZAZTESA-N 2 2 398.532 3.548 20 0 GHADLP CCCC[C@H](Cc1ccccc1)[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001258711973 1044728608 /nfs/dbraw/zinc/72/86/08/1044728608.db2.gz NZFGLKKYOPMYLN-HXUWFJFHSA-N 2 2 378.524 3.530 20 0 GHADLP CCCC[C@H](Cc1ccccc1)[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001258711973 1044728619 /nfs/dbraw/zinc/72/86/19/1044728619.db2.gz NZFGLKKYOPMYLN-HXUWFJFHSA-N 2 2 378.524 3.530 20 0 GHADLP CCC[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)CC1 ZINC001258777300 1044761306 /nfs/dbraw/zinc/76/13/06/1044761306.db2.gz QHVIKGJQBHNWTH-HZPDHXFCSA-N 2 2 393.494 3.638 20 0 GHADLP CCC[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)CC1 ZINC001258777300 1044761321 /nfs/dbraw/zinc/76/13/21/1044761321.db2.gz QHVIKGJQBHNWTH-HZPDHXFCSA-N 2 2 393.494 3.638 20 0 GHADLP COc1cc(C[C@@H](C)[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc(OC)c1OC ZINC001258874249 1044819606 /nfs/dbraw/zinc/81/96/06/1044819606.db2.gz KQAATQTYUHLDHV-MRXNPFEDSA-N 2 2 394.531 3.542 20 0 GHADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1C ZINC001262558761 1046269019 /nfs/dbraw/zinc/26/90/19/1046269019.db2.gz PCOVSEWCSOYBHW-YADHBBJMSA-N 2 2 393.531 3.659 20 0 GHADLP C[NH+](C)Cc1ccnc(NC(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001263648509 1047019791 /nfs/dbraw/zinc/01/97/91/1047019791.db2.gz UWJXFDWSGKNADC-QGZVFWFLSA-N 2 2 384.528 3.506 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001303313133 1047356668 /nfs/dbraw/zinc/35/66/68/1047356668.db2.gz LFRYZXPALVTBJB-TWFHAPMSSA-N 2 2 375.532 3.682 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001303313133 1047356680 /nfs/dbraw/zinc/35/66/80/1047356680.db2.gz LFRYZXPALVTBJB-TWFHAPMSSA-N 2 2 375.532 3.682 20 0 GHADLP Brc1cnc(C[N@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)s1 ZINC001279115171 1047723094 /nfs/dbraw/zinc/72/30/94/1047723094.db2.gz ZUUVUNTWBFKJJS-OKILXGFUSA-N 2 2 384.387 3.992 20 0 GHADLP Brc1cnc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)s1 ZINC001279115171 1047723099 /nfs/dbraw/zinc/72/30/99/1047723099.db2.gz ZUUVUNTWBFKJJS-OKILXGFUSA-N 2 2 384.387 3.992 20 0 GHADLP Brc1cnc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)s1 ZINC001279115171 1047723104 /nfs/dbraw/zinc/72/31/04/1047723104.db2.gz ZUUVUNTWBFKJJS-OKILXGFUSA-N 2 2 384.387 3.992 20 0 GHADLP Brc1cnc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)s1 ZINC001279115171 1047723109 /nfs/dbraw/zinc/72/31/09/1047723109.db2.gz ZUUVUNTWBFKJJS-OKILXGFUSA-N 2 2 384.387 3.992 20 0 GHADLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1nccc(C)c1Cl)CC2 ZINC001279380059 1047786421 /nfs/dbraw/zinc/78/64/21/1047786421.db2.gz XGWRDCJUQZXVDJ-UHFFFAOYSA-N 2 2 376.957 3.906 20 0 GHADLP O=c1cccc(C[NH+]2CC3(C2)CC[NH+](Cc2ccc(Cl)c(F)c2)CC3)[nH]1 ZINC001279397090 1047793519 /nfs/dbraw/zinc/79/35/19/1047793519.db2.gz OBJLHNVBAPYKQP-UHFFFAOYSA-N 2 2 375.875 3.678 20 0 GHADLP Cc1csc2sc(C[N@@H+]3CC[C@H]4CN(CCn5cc[nH+]c5)C[C@H]43)c(C)c12 ZINC001279425755 1047802559 /nfs/dbraw/zinc/80/25/59/1047802559.db2.gz KITKYNBYSVFPMA-DLBZAZTESA-N 2 2 386.590 3.982 20 0 GHADLP Cc1csc2sc(C[N@H+]3CC[C@H]4CN(CCn5cc[nH+]c5)C[C@H]43)c(C)c12 ZINC001279425755 1047802566 /nfs/dbraw/zinc/80/25/66/1047802566.db2.gz KITKYNBYSVFPMA-DLBZAZTESA-N 2 2 386.590 3.982 20 0 GHADLP Cc1cc(Cl)nc(Cl)c1C[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279636064 1047881189 /nfs/dbraw/zinc/88/11/89/1047881189.db2.gz BUSMPHBLQPIYKX-LJQANCHMSA-N 2 2 385.383 3.546 20 0 GHADLP Cc1cc(Cl)nc(Cl)c1C[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279636064 1047881199 /nfs/dbraw/zinc/88/11/99/1047881199.db2.gz BUSMPHBLQPIYKX-LJQANCHMSA-N 2 2 385.383 3.546 20 0 GHADLP Brc1cscc1C[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001279708123 1047926531 /nfs/dbraw/zinc/92/65/31/1047926531.db2.gz NGHXNVIIRHQHJJ-UHFFFAOYSA-N 2 2 380.355 3.937 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC001307710136 1049525721 /nfs/dbraw/zinc/52/57/21/1049525721.db2.gz LCXJWCWOPSYADP-OAQYLSRUSA-N 2 2 388.502 3.712 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC001307710136 1049525732 /nfs/dbraw/zinc/52/57/32/1049525732.db2.gz LCXJWCWOPSYADP-OAQYLSRUSA-N 2 2 388.502 3.712 20 0 GHADLP Brc1ccccc1CCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001307762601 1049575471 /nfs/dbraw/zinc/57/54/71/1049575471.db2.gz IAFOJJTWYSOPRV-SFHVURJKSA-N 2 2 381.358 3.568 20 0 GHADLP Brc1ccccc1CCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001307762601 1049575481 /nfs/dbraw/zinc/57/54/81/1049575481.db2.gz IAFOJJTWYSOPRV-SFHVURJKSA-N 2 2 381.358 3.568 20 0 GHADLP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c(C)c1OC ZINC001307808405 1049606342 /nfs/dbraw/zinc/60/63/42/1049606342.db2.gz OYGHGSVHFSMTCP-FQEVSTJZSA-N 2 2 397.563 3.875 20 0 GHADLP CCCCOCC[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001307820342 1049616001 /nfs/dbraw/zinc/61/60/01/1049616001.db2.gz FHBBUIPSOCXDRA-UHFFFAOYSA-N 2 2 379.976 3.743 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308040702 1049791886 /nfs/dbraw/zinc/79/18/86/1049791886.db2.gz OIDPABDSWIXBNX-ZWKOTPCHSA-N 2 2 392.503 3.558 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308040702 1049791889 /nfs/dbraw/zinc/79/18/89/1049791889.db2.gz OIDPABDSWIXBNX-ZWKOTPCHSA-N 2 2 392.503 3.558 20 0 GHADLP C[C@@H]1C[NH+](CCC[NH2+]CC(C)(C)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC001308188800 1049905591 /nfs/dbraw/zinc/90/55/91/1049905591.db2.gz LJLGXODTBDBQJQ-HZPDHXFCSA-N 2 2 383.374 3.816 20 0 GHADLP COC(=O)[C@]1(F)CC[N@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001308575648 1050015973 /nfs/dbraw/zinc/01/59/73/1050015973.db2.gz BVPUAEDIULRTBH-VXKWHMMOSA-N 2 2 376.516 3.512 20 0 GHADLP COC(=O)[C@]1(F)CC[N@@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001308575648 1050015975 /nfs/dbraw/zinc/01/59/75/1050015975.db2.gz BVPUAEDIULRTBH-VXKWHMMOSA-N 2 2 376.516 3.512 20 0 GHADLP COC(=O)[C@]1(F)CC[NH+](C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001308575648 1050015979 /nfs/dbraw/zinc/01/59/79/1050015979.db2.gz BVPUAEDIULRTBH-VXKWHMMOSA-N 2 2 376.516 3.512 20 0 GHADLP COC(=O)[C@]1(F)CC[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001308575648 1050015980 /nfs/dbraw/zinc/01/59/80/1050015980.db2.gz BVPUAEDIULRTBH-VXKWHMMOSA-N 2 2 376.516 3.512 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]C(C)(C)CNC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC001308673014 1050054923 /nfs/dbraw/zinc/05/49/23/1050054923.db2.gz PSCSLASSHZWJTD-PKOBYXMFSA-N 2 2 375.557 3.790 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]C(C)(C)CNC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC001308673014 1050054927 /nfs/dbraw/zinc/05/49/27/1050054927.db2.gz PSCSLASSHZWJTD-PKOBYXMFSA-N 2 2 375.557 3.790 20 0 GHADLP COc1cc(Br)c(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1O ZINC001308682263 1050058594 /nfs/dbraw/zinc/05/85/94/1050058594.db2.gz PNJOBABVCRKFPE-KBPBESRZSA-N 2 2 397.357 3.906 20 0 GHADLP COc1cc(Br)c(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1O ZINC001308682263 1050058597 /nfs/dbraw/zinc/05/85/97/1050058597.db2.gz PNJOBABVCRKFPE-KBPBESRZSA-N 2 2 397.357 3.906 20 0 GHADLP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CC[NH+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC001308802274 1050100643 /nfs/dbraw/zinc/10/06/43/1050100643.db2.gz QVTOMZJQVAGETN-KFKAGJAMSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[NH+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC001308802274 1050100649 /nfs/dbraw/zinc/10/06/49/1050100649.db2.gz QVTOMZJQVAGETN-KFKAGJAMSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC001308802274 1050100661 /nfs/dbraw/zinc/10/06/61/1050100661.db2.gz QVTOMZJQVAGETN-KFKAGJAMSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC001308802274 1050100664 /nfs/dbraw/zinc/10/06/64/1050100664.db2.gz QVTOMZJQVAGETN-KFKAGJAMSA-N 2 2 382.390 3.903 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C[C@H]1C ZINC001308919843 1050170044 /nfs/dbraw/zinc/17/00/44/1050170044.db2.gz SXXCKFZVEWNMQU-QTPAZIJBSA-N 2 2 385.552 3.751 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]c2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C[C@H]1C ZINC001308919843 1050170048 /nfs/dbraw/zinc/17/00/48/1050170048.db2.gz SXXCKFZVEWNMQU-QTPAZIJBSA-N 2 2 385.552 3.751 20 0 GHADLP COC(=O)[C@H](C)Oc1ccccc1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001308983181 1050245267 /nfs/dbraw/zinc/24/52/67/1050245267.db2.gz MCVKJJKMRNQNEA-ROUUACIJSA-N 2 2 399.535 3.958 20 0 GHADLP COC(=O)[C@H](C)Oc1ccccc1C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001308983181 1050245284 /nfs/dbraw/zinc/24/52/84/1050245284.db2.gz MCVKJJKMRNQNEA-ROUUACIJSA-N 2 2 399.535 3.958 20 0 GHADLP CC(C)(CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)[NH+]1CCCCC1 ZINC001311565847 1052248712 /nfs/dbraw/zinc/24/87/12/1052248712.db2.gz CQTCCZPHZLQQBT-UHFFFAOYSA-N 2 2 389.931 3.589 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCCc1nnc(-c2ccccc2)o1 ZINC001318541750 1054708998 /nfs/dbraw/zinc/70/89/98/1054708998.db2.gz OPHMQFWYGQFSSM-UHFFFAOYSA-N 2 2 388.431 3.587 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCCc1nc(-c2cccs2)no1 ZINC001318820249 1054898695 /nfs/dbraw/zinc/89/86/95/1054898695.db2.gz VFTXHJYOBUIPRE-UHFFFAOYSA-N 2 2 394.460 3.649 20 0 GHADLP CCOc1c(OC)cc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)cc1OC ZINC001319949061 1055558760 /nfs/dbraw/zinc/55/87/60/1055558760.db2.gz URNMSPJAEHJEHN-GOSISDBHSA-N 2 2 385.508 3.882 20 0 GHADLP CCOc1c(OC)cc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)cc1OC ZINC001319949061 1055558772 /nfs/dbraw/zinc/55/87/72/1055558772.db2.gz URNMSPJAEHJEHN-GOSISDBHSA-N 2 2 385.508 3.882 20 0 GHADLP C[N@H+](CCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)Cc1ccc(F)cc1 ZINC000849083358 1057586401 /nfs/dbraw/zinc/58/64/01/1057586401.db2.gz PAFCHCFEHUZMML-UHFFFAOYSA-N 2 2 384.377 3.793 20 0 GHADLP C[N@@H+](CCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)Cc1ccc(F)cc1 ZINC000849083358 1057586407 /nfs/dbraw/zinc/58/64/07/1057586407.db2.gz PAFCHCFEHUZMML-UHFFFAOYSA-N 2 2 384.377 3.793 20 0 GHADLP CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001339093575 1058956980 /nfs/dbraw/zinc/95/69/80/1058956980.db2.gz IWWVXHFNAKZIOI-ZDUSSCGKSA-N 2 2 395.488 3.653 20 0 GHADLP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC001444848704 1059396658 /nfs/dbraw/zinc/39/66/58/1059396658.db2.gz OLGHHRRTRLVHEM-MSOLQXFVSA-N 2 2 394.441 3.672 20 0 GHADLP O=C(Nc1ccccc1Nc1cc[nH+]cc1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001448775225 1060265265 /nfs/dbraw/zinc/26/52/65/1060265265.db2.gz BSFOAPLKCOIHMY-UHFFFAOYSA-N 2 2 398.470 3.808 20 0 GHADLP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001454259162 1061674780 /nfs/dbraw/zinc/67/47/80/1061674780.db2.gz VYUVFZKFWRSXGJ-NRFANRHFSA-N 2 2 383.923 3.723 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001455460066 1062165069 /nfs/dbraw/zinc/16/50/69/1062165069.db2.gz XTCRVWRQVYUAEC-RGMHLJPOSA-N 2 2 387.543 3.541 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@H+]3C2)CC1 ZINC001455460066 1062165083 /nfs/dbraw/zinc/16/50/83/1062165083.db2.gz XTCRVWRQVYUAEC-RGMHLJPOSA-N 2 2 387.543 3.541 20 0 GHADLP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)c1 ZINC001438569965 1064071887 /nfs/dbraw/zinc/07/18/87/1064071887.db2.gz CDLNOECLYTVRET-XZOQPEGZSA-N 2 2 377.532 3.652 20 0 GHADLP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)c1 ZINC001438569965 1064071897 /nfs/dbraw/zinc/07/18/97/1064071897.db2.gz CDLNOECLYTVRET-XZOQPEGZSA-N 2 2 377.532 3.652 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NC[C@@H]2c3ccccc3C[NH+]2C)c1 ZINC001438569965 1064071902 /nfs/dbraw/zinc/07/19/02/1064071902.db2.gz CDLNOECLYTVRET-XZOQPEGZSA-N 2 2 377.532 3.652 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NC[C@@H]2c3ccccc3C[NH+]2C)c1 ZINC001438569965 1064071909 /nfs/dbraw/zinc/07/19/09/1064071909.db2.gz CDLNOECLYTVRET-XZOQPEGZSA-N 2 2 377.532 3.652 20 0 GHADLP COc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC(C)C ZINC001459854296 1064243713 /nfs/dbraw/zinc/24/37/13/1064243713.db2.gz SFRXNBAYZSCORT-CYFREDJKSA-N 2 2 398.547 3.770 20 0 GHADLP COc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC(C)C ZINC001459854296 1064243719 /nfs/dbraw/zinc/24/37/19/1064243719.db2.gz SFRXNBAYZSCORT-CYFREDJKSA-N 2 2 398.547 3.770 20 0 GHADLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001465177129 1065440122 /nfs/dbraw/zinc/44/01/22/1065440122.db2.gz YVANBDQEKYVIFK-INIZCTEOSA-N 2 2 388.393 3.586 20 0 GHADLP O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001465177129 1065440136 /nfs/dbraw/zinc/44/01/36/1065440136.db2.gz YVANBDQEKYVIFK-INIZCTEOSA-N 2 2 388.393 3.586 20 0 GHADLP c1c(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)nnn1-c1ccccc1 ZINC001200391136 1066076036 /nfs/dbraw/zinc/07/60/36/1066076036.db2.gz WSHIZCSBCKNIPS-UHFFFAOYSA-N 2 2 375.520 3.933 20 0 GHADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001467340698 1067237750 /nfs/dbraw/zinc/23/77/50/1067237750.db2.gz RSAHFEOEPVJQET-HSZRJFAPSA-N 2 2 390.531 3.688 20 0 GHADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001467340698 1067237760 /nfs/dbraw/zinc/23/77/60/1067237760.db2.gz RSAHFEOEPVJQET-HSZRJFAPSA-N 2 2 390.531 3.688 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)c1ccc(F)cc1 ZINC001467374049 1067260331 /nfs/dbraw/zinc/26/03/31/1067260331.db2.gz XVOOMUGNGDILIT-LJQANCHMSA-N 2 2 385.487 3.635 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)CCc3ccccc3)CC2)cc1 ZINC001468561881 1067772228 /nfs/dbraw/zinc/77/22/28/1067772228.db2.gz RBZCFPJWUNDSNC-UHFFFAOYSA-N 2 2 393.575 3.629 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)CCc3ccccc3)CC2)cc1 ZINC001468561881 1067772232 /nfs/dbraw/zinc/77/22/32/1067772232.db2.gz RBZCFPJWUNDSNC-UHFFFAOYSA-N 2 2 393.575 3.629 20 0 GHADLP CCCCCC[C@@H](CC)CN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001477926517 1078631040 /nfs/dbraw/zinc/63/10/40/1078631040.db2.gz IKBVEWRRIFCEQN-UXHICEINSA-N 2 2 380.621 3.793 20 0 GHADLP CCCCCC[C@@H](CC)CN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001477926517 1078631043 /nfs/dbraw/zinc/63/10/43/1078631043.db2.gz IKBVEWRRIFCEQN-UXHICEINSA-N 2 2 380.621 3.793 20 0 GHADLP CN(C(=O)NCC(C)(C)C1CCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001470197809 1068621202 /nfs/dbraw/zinc/62/12/02/1068621202.db2.gz HROKCJBYFLVYLQ-LEWJYISDSA-N 2 2 392.632 3.791 20 0 GHADLP CN(C(=O)NCC(C)(C)C1CCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001470197809 1068621213 /nfs/dbraw/zinc/62/12/13/1068621213.db2.gz HROKCJBYFLVYLQ-LEWJYISDSA-N 2 2 392.632 3.791 20 0 GHADLP C[NH+]1CCN(c2ccc3[nH]c(-c4ccc(Oc5ncccn5)cc4)[nH+]c3c2)CC1 ZINC000201656496 1068749691 /nfs/dbraw/zinc/74/96/91/1068749691.db2.gz MWOZZHWXSCTVNE-UHFFFAOYSA-N 2 2 386.459 3.564 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](Cc1ccccc1Cl)CC1CC1)c1ccccc1 ZINC001460100096 1068781905 /nfs/dbraw/zinc/78/19/05/1068781905.db2.gz NURGBKPBNGXDIQ-JOCHJYFZSA-N 2 2 399.966 3.971 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)C[N@H+](Cc1ccccc1Cl)CC1CC1)c1ccccc1 ZINC001460100096 1068781915 /nfs/dbraw/zinc/78/19/15/1068781915.db2.gz NURGBKPBNGXDIQ-JOCHJYFZSA-N 2 2 399.966 3.971 20 0 GHADLP CC[N@H+](CCC1CCN(C(=O)NC[C@H]2c3ccccc3C[NH+]2C)CC1)CC1CC1 ZINC001479142803 1079121389 /nfs/dbraw/zinc/12/13/89/1079121389.db2.gz QSYFUXBBEXIKFH-QHCPKHFHSA-N 2 2 398.595 3.717 20 0 GHADLP CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2c3ccccc3C[NH+]2C)CC1)CC1CC1 ZINC001479142803 1079121393 /nfs/dbraw/zinc/12/13/93/1079121393.db2.gz QSYFUXBBEXIKFH-QHCPKHFHSA-N 2 2 398.595 3.717 20 0 GHADLP CC[NH+](CCC1CCN(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CC1)CC1CC1 ZINC001479142803 1079121395 /nfs/dbraw/zinc/12/13/95/1079121395.db2.gz QSYFUXBBEXIKFH-QHCPKHFHSA-N 2 2 398.595 3.717 20 0 GHADLP CC[NH+](CCC1CCN(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CC1)CC1CC1 ZINC001479142803 1079121397 /nfs/dbraw/zinc/12/13/97/1079121397.db2.gz QSYFUXBBEXIKFH-QHCPKHFHSA-N 2 2 398.595 3.717 20 0 GHADLP OC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC001472692204 1073622112 /nfs/dbraw/zinc/62/21/12/1073622112.db2.gz OGXRJZOOFFOZFL-KRWDZBQOSA-N 2 2 385.817 3.609 20 0 GHADLP CC[N@H+](C)C[C@H](O)C[NH+](C)Cc1cc(C)c(OCc2ccccc2C)c(C)c1 ZINC001473171008 1073830183 /nfs/dbraw/zinc/83/01/83/1073830183.db2.gz SWPCLGBNHZQTNY-QHCPKHFHSA-N 2 2 384.564 3.935 20 0 GHADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1cc(C)c(OCc2ccccc2C)c(C)c1 ZINC001473171008 1073830188 /nfs/dbraw/zinc/83/01/88/1073830188.db2.gz SWPCLGBNHZQTNY-QHCPKHFHSA-N 2 2 384.564 3.935 20 0 GHADLP CC[NH+](C)C[C@H](O)C[N@H+](C)Cc1cc(C)c(OCc2ccccc2C)c(C)c1 ZINC001473171008 1073830192 /nfs/dbraw/zinc/83/01/92/1073830192.db2.gz SWPCLGBNHZQTNY-QHCPKHFHSA-N 2 2 384.564 3.935 20 0 GHADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1cc(C)c(OCc2ccccc2C)c(C)c1 ZINC001473171008 1073830198 /nfs/dbraw/zinc/83/01/98/1073830198.db2.gz SWPCLGBNHZQTNY-QHCPKHFHSA-N 2 2 384.564 3.935 20 0 GHADLP CCC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001473648210 1074066347 /nfs/dbraw/zinc/06/63/47/1074066347.db2.gz DQCYCQPYGIZIEK-DENIHFKCSA-N 2 2 397.538 3.817 20 0 GHADLP CCC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001473648210 1074066354 /nfs/dbraw/zinc/06/63/54/1074066354.db2.gz DQCYCQPYGIZIEK-DENIHFKCSA-N 2 2 397.538 3.817 20 0 GHADLP CCC[NH+](Cc1ccccc1F)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001473648210 1074066362 /nfs/dbraw/zinc/06/63/62/1074066362.db2.gz DQCYCQPYGIZIEK-DENIHFKCSA-N 2 2 397.538 3.817 20 0 GHADLP CCC[NH+](Cc1ccccc1F)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001473648210 1074066370 /nfs/dbraw/zinc/06/63/70/1074066370.db2.gz DQCYCQPYGIZIEK-DENIHFKCSA-N 2 2 397.538 3.817 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(F)c(F)c1 ZINC001473728059 1074111747 /nfs/dbraw/zinc/11/17/47/1074111747.db2.gz MTKFLMVCYZURIK-NFBKMPQASA-N 2 2 388.502 3.855 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(F)c(F)c1 ZINC001473728059 1074111755 /nfs/dbraw/zinc/11/17/55/1074111755.db2.gz MTKFLMVCYZURIK-NFBKMPQASA-N 2 2 388.502 3.855 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccc(F)c(F)c1 ZINC001473728059 1074111758 /nfs/dbraw/zinc/11/17/58/1074111758.db2.gz MTKFLMVCYZURIK-NFBKMPQASA-N 2 2 388.502 3.855 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccc(F)c(F)c1 ZINC001473728059 1074111760 /nfs/dbraw/zinc/11/17/60/1074111760.db2.gz MTKFLMVCYZURIK-NFBKMPQASA-N 2 2 388.502 3.855 20 0 GHADLP COc1ccc(NC(=O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1Cl ZINC001473747175 1074121077 /nfs/dbraw/zinc/12/10/77/1074121077.db2.gz MWUQSOUEKHBOFK-SFHVURJKSA-N 2 2 384.867 3.515 20 0 GHADLP OC1(C[NH+]2CCCCC2)CC[NH+](Cc2csc(-c3ccccc3F)n2)CC1 ZINC001473876383 1074186796 /nfs/dbraw/zinc/18/67/96/1074186796.db2.gz LDGJXHOCMCGVPC-UHFFFAOYSA-N 2 2 389.540 3.762 20 0 GHADLP Cc1ccc2oc(C[NH2+]Cc3ccc(OCC[NH+]4CCOCC4)cc3)cc2c1 ZINC001474210823 1074294983 /nfs/dbraw/zinc/29/49/83/1074294983.db2.gz DLPNUJDCVINSIC-UHFFFAOYSA-N 2 2 380.488 3.742 20 0 GHADLP F[C@@H]1CC2(CC[C@H]1[NH2+][C@H]1CCCCC[N@H+](Cc3ccccc3)C1)OCCO2 ZINC001474233227 1074302448 /nfs/dbraw/zinc/30/24/48/1074302448.db2.gz TVOBMQNQTMTRRS-PWRODBHTSA-N 2 2 376.516 3.655 20 0 GHADLP F[C@@H]1CC2(CC[C@H]1[NH2+][C@H]1CCCCC[N@@H+](Cc3ccccc3)C1)OCCO2 ZINC001474233227 1074302453 /nfs/dbraw/zinc/30/24/53/1074302453.db2.gz TVOBMQNQTMTRRS-PWRODBHTSA-N 2 2 376.516 3.655 20 0 GHADLP C[C@@H]([NH2+]Cc1ncc(Br)cc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001474397087 1074384438 /nfs/dbraw/zinc/38/44/38/1074384438.db2.gz SAYPSPBODNTNCF-GDBMZVCRSA-N 2 2 390.325 3.550 20 0 GHADLP C[C@@H]([NH2+]Cc1ncc(Br)cc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001474397087 1074384447 /nfs/dbraw/zinc/38/44/47/1074384447.db2.gz SAYPSPBODNTNCF-GDBMZVCRSA-N 2 2 390.325 3.550 20 0 GHADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC001474716607 1074531335 /nfs/dbraw/zinc/53/13/35/1074531335.db2.gz QORUIIUJLVGWEM-YZGWKJHDSA-N 2 2 390.572 3.842 20 0 GHADLP C[N@H+](Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)o1)C1CCCCC1 ZINC000821614393 599411283 /nfs/dbraw/zinc/41/12/83/599411283.db2.gz DRBFBDLCRUHVKW-UHFFFAOYSA-N 2 2 380.496 3.514 20 0 GHADLP C[N@@H+](Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)o1)C1CCCCC1 ZINC000821614393 599411289 /nfs/dbraw/zinc/41/12/89/599411289.db2.gz DRBFBDLCRUHVKW-UHFFFAOYSA-N 2 2 380.496 3.514 20 0 GHADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000822478122 606622227 /nfs/dbraw/zinc/62/22/27/606622227.db2.gz QXMKMNRXRKGFAI-FQEVSTJZSA-N 2 2 399.502 3.703 20 0 GHADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000822478122 606622228 /nfs/dbraw/zinc/62/22/28/606622228.db2.gz QXMKMNRXRKGFAI-FQEVSTJZSA-N 2 2 399.502 3.703 20 0 GHADLP C[C@H](CC[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000824585042 609148042 /nfs/dbraw/zinc/14/80/42/609148042.db2.gz MHCQYHBQKPFGBK-HZPDHXFCSA-N 2 2 382.487 3.567 20 0 GHADLP C[C@H](CC[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000824585042 609148043 /nfs/dbraw/zinc/14/80/43/609148043.db2.gz MHCQYHBQKPFGBK-HZPDHXFCSA-N 2 2 382.487 3.567 20 0 GHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000826307555 609328667 /nfs/dbraw/zinc/32/86/67/609328667.db2.gz MPODASGXUBHMGJ-MRXNPFEDSA-N 2 2 394.498 3.629 20 0 GHADLP Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc4c([nH+]2)CCCC4)CC3)cc1 ZINC001164670973 719503731 /nfs/dbraw/zinc/50/37/31/719503731.db2.gz AMSDDTGGZDZPCO-UHFFFAOYSA-N 2 2 395.522 3.971 20 0 GHADLP Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc4c([nH+]2)CCCC4)CC3)cc1 ZINC001164670973 719503738 /nfs/dbraw/zinc/50/37/38/719503738.db2.gz AMSDDTGGZDZPCO-UHFFFAOYSA-N 2 2 395.522 3.971 20 0 GHADLP Cc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(C(C)C)[nH+]1 ZINC001164698241 719897574 /nfs/dbraw/zinc/89/75/74/719897574.db2.gz QEUIRTKMHULDQY-UHFFFAOYSA-N 2 2 386.565 3.841 20 0 GHADLP Cc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc(C(C)C)[nH+]1 ZINC001164698241 719897576 /nfs/dbraw/zinc/89/75/76/719897576.db2.gz QEUIRTKMHULDQY-UHFFFAOYSA-N 2 2 386.565 3.841 20 0 GHADLP COC(=O)c1ccc(-c2ccc(N3CC4(C3)CC[N@H+](CC3CC3)C4)[nH+]c2C)cc1 ZINC001164769662 721297009 /nfs/dbraw/zinc/29/70/09/721297009.db2.gz KRBPSRUFAAMXTA-UHFFFAOYSA-N 2 2 391.515 3.766 20 0 GHADLP COC(=O)c1ccc(-c2ccc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)[nH+]c2C)cc1 ZINC001164769662 721297012 /nfs/dbraw/zinc/29/70/12/721297012.db2.gz KRBPSRUFAAMXTA-UHFFFAOYSA-N 2 2 391.515 3.766 20 0 GHADLP Cc1cc2ccccc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)[nH+]1 ZINC001164808261 721567162 /nfs/dbraw/zinc/56/71/62/721567162.db2.gz UWPLGHMPQCIMPL-XPWALMASSA-N 2 2 388.515 3.806 20 0 GHADLP Cc1cc2ccccc2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)[nH+]1 ZINC001164808261 721567164 /nfs/dbraw/zinc/56/71/64/721567164.db2.gz UWPLGHMPQCIMPL-XPWALMASSA-N 2 2 388.515 3.806 20 0 GHADLP Cc1ccc2cc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164975583 722116625 /nfs/dbraw/zinc/11/66/25/722116625.db2.gz JVJIKOULDLPHSM-JTHBVZDNSA-N 2 2 388.515 3.666 20 0 GHADLP Cc1ccc2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164975583 722116626 /nfs/dbraw/zinc/11/66/26/722116626.db2.gz JVJIKOULDLPHSM-JTHBVZDNSA-N 2 2 388.515 3.666 20 0 GHADLP Cc1cccc2c(C)cc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)[nH+]c12 ZINC001164999967 722250966 /nfs/dbraw/zinc/25/09/66/722250966.db2.gz KGKPEXHSQKYNSR-UHFFFAOYSA-N 2 2 393.535 3.537 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(OC)ccc2Br)[C@H](C)C1 ZINC000163130245 837512906 /nfs/dbraw/zinc/51/29/06/837512906.db2.gz UNQOKKUSAPJVKU-BEFAXECRSA-N 2 2 399.373 3.684 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(OC)ccc2Br)[C@H](C)C1 ZINC000163130245 837512909 /nfs/dbraw/zinc/51/29/09/837512909.db2.gz UNQOKKUSAPJVKU-BEFAXECRSA-N 2 2 399.373 3.684 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001267591593 837525998 /nfs/dbraw/zinc/52/59/98/837525998.db2.gz OXVUUXOXKLKRRL-HBGVWJBISA-N 2 2 385.939 3.579 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001267591593 837526002 /nfs/dbraw/zinc/52/60/02/837526002.db2.gz OXVUUXOXKLKRRL-HBGVWJBISA-N 2 2 385.939 3.579 20 0 GHADLP CCc1ncc(C[N@@H+](CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cn1 ZINC000414384222 837546594 /nfs/dbraw/zinc/54/65/94/837546594.db2.gz BTDROMCMADQBPZ-UHFFFAOYSA-N 2 2 382.556 3.752 20 0 GHADLP CCc1ncc(C[N@H+](CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cn1 ZINC000414384222 837546603 /nfs/dbraw/zinc/54/66/03/837546603.db2.gz BTDROMCMADQBPZ-UHFFFAOYSA-N 2 2 382.556 3.752 20 0 GHADLP FC(F)(F)[C@@H]1CC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H](C(F)(F)F)C1 ZINC000655685989 837606492 /nfs/dbraw/zinc/60/64/92/837606492.db2.gz WIHJXDOBZMZTEG-HUBLWGQQSA-N 2 2 388.396 3.739 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000655689684 837681854 /nfs/dbraw/zinc/68/18/54/837681854.db2.gz JYLSAOTYILIARG-JPYJTQIMSA-N 2 2 393.531 3.843 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1)C1CCCCC1 ZINC000655699630 837689419 /nfs/dbraw/zinc/68/94/19/837689419.db2.gz GQAZZFGUPDGBQA-QHCPKHFHSA-N 2 2 399.579 3.938 20 0 GHADLP C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458615800 834763459 /nfs/dbraw/zinc/76/34/59/834763459.db2.gz YNWKULHCJAVRQQ-QZTJIDSGSA-N 2 2 398.954 3.644 20 0 GHADLP C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458615800 834763468 /nfs/dbraw/zinc/76/34/68/834763468.db2.gz YNWKULHCJAVRQQ-QZTJIDSGSA-N 2 2 398.954 3.644 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000685467832 835033508 /nfs/dbraw/zinc/03/35/08/835033508.db2.gz FGEUMRUQMPNMMR-UHFFFAOYSA-N 3 2 381.564 3.723 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000685467832 835033517 /nfs/dbraw/zinc/03/35/17/835033517.db2.gz FGEUMRUQMPNMMR-UHFFFAOYSA-N 3 2 381.564 3.723 20 0 GHADLP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000685459648 835034397 /nfs/dbraw/zinc/03/43/97/835034397.db2.gz WCSHHAPMCRFBHZ-UHFFFAOYSA-N 2 2 379.508 3.974 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4cccs4)CCCCC3)CC2)CC1 ZINC000157740419 835078925 /nfs/dbraw/zinc/07/89/25/835078925.db2.gz HFVOOBCQAHZTGF-UHFFFAOYSA-N 2 2 389.609 3.625 20 0 GHADLP Cn1c2ccccc2nc1C[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000093364103 835101450 /nfs/dbraw/zinc/10/14/50/835101450.db2.gz OERWOTDPQHNNLT-UHFFFAOYSA-N 2 2 378.520 3.680 20 0 GHADLP Cn1c2ccccc2nc1C[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000093364103 835101457 /nfs/dbraw/zinc/10/14/57/835101457.db2.gz OERWOTDPQHNNLT-UHFFFAOYSA-N 2 2 378.520 3.680 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658053989 835396525 /nfs/dbraw/zinc/39/65/25/835396525.db2.gz CLHXFUCRQWBXRT-CJNGLKHVSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658053989 835396532 /nfs/dbraw/zinc/39/65/32/835396532.db2.gz CLHXFUCRQWBXRT-CJNGLKHVSA-N 2 2 382.346 3.629 20 0 GHADLP Brc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294528 835559691 /nfs/dbraw/zinc/55/96/91/835559691.db2.gz IEQVELUECRVEHL-IEBWSBKVSA-N 2 2 379.342 3.669 20 0 GHADLP C[C@H](CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000548865955 835565327 /nfs/dbraw/zinc/56/53/27/835565327.db2.gz UISFYPSNMDJMLP-SVFBPWRDSA-N 2 2 394.563 3.707 20 0 GHADLP C[C@H](CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000548865955 835565336 /nfs/dbraw/zinc/56/53/36/835565336.db2.gz UISFYPSNMDJMLP-SVFBPWRDSA-N 2 2 394.563 3.707 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3cc4cnccc4o3)CC2)c1 ZINC000657827555 835566923 /nfs/dbraw/zinc/56/69/23/835566923.db2.gz NINHNDYWRLXAHU-IBGZPJMESA-N 2 2 378.520 3.999 20 0 GHADLP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635474627 835586857 /nfs/dbraw/zinc/58/68/57/835586857.db2.gz XPSCPFUBAKYPRJ-HXUWFJFHSA-N 2 2 386.565 3.966 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCc3cccnc3CC2)CCOCC1)c1ccccc1 ZINC000421829076 835654936 /nfs/dbraw/zinc/65/49/36/835654936.db2.gz GQUOWQSMZMUMHJ-UGKGYDQZSA-N 2 2 379.548 3.819 20 0 GHADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000180496328 836181203 /nfs/dbraw/zinc/18/12/03/836181203.db2.gz GUPBUXRHSSQJEP-YCRPNKLZSA-N 2 2 393.909 3.933 20 0 GHADLP CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3cc[nH+]c4c(O)cccc34)CC2)cs1 ZINC000684575759 844146677 /nfs/dbraw/zinc/14/66/77/844146677.db2.gz HBNCXZSPIRIRCA-OAHLLOKOSA-N 2 2 398.532 3.817 20 0 GHADLP CO[C@H](C)c1nc(C[N@H+]2CCCN(c3cc[nH+]c4c(O)cccc34)CC2)cs1 ZINC000684575759 844146680 /nfs/dbraw/zinc/14/66/80/844146680.db2.gz HBNCXZSPIRIRCA-OAHLLOKOSA-N 2 2 398.532 3.817 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1nnnn1-c1ccccc1 ZINC000173923423 836337156 /nfs/dbraw/zinc/33/71/56/836337156.db2.gz JUDGPWKSECASAC-OALUTQOASA-N 2 2 390.535 3.745 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1nnnn1-c1ccccc1 ZINC000173923423 836337171 /nfs/dbraw/zinc/33/71/71/836337171.db2.gz JUDGPWKSECASAC-OALUTQOASA-N 2 2 390.535 3.745 20 0 GHADLP C[C@H](c1cccs1)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000109694294 836477005 /nfs/dbraw/zinc/47/70/05/836477005.db2.gz ATNLHLCWMNHEFK-MRXNPFEDSA-N 2 2 389.590 3.928 20 0 GHADLP C[C@H](c1cccs1)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000109694294 836477007 /nfs/dbraw/zinc/47/70/07/836477007.db2.gz ATNLHLCWMNHEFK-MRXNPFEDSA-N 2 2 389.590 3.928 20 0 GHADLP C[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000376060163 836696725 /nfs/dbraw/zinc/69/67/25/836696725.db2.gz UUNUQEKYXRASRS-HNNXBMFYSA-N 2 2 397.910 3.809 20 0 GHADLP CC1CCC([N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)CC1 ZINC000052104055 844200278 /nfs/dbraw/zinc/20/02/78/844200278.db2.gz XUYDYPPFHQOKKQ-UHFFFAOYSA-N 2 2 385.552 3.500 20 0 GHADLP CC1CCC([N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)CC1 ZINC000052104055 844200292 /nfs/dbraw/zinc/20/02/92/844200292.db2.gz XUYDYPPFHQOKKQ-UHFFFAOYSA-N 2 2 385.552 3.500 20 0 GHADLP CN(C(=O)N[C@@H]1CCC(C)(C)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000511393711 836939110 /nfs/dbraw/zinc/93/91/10/836939110.db2.gz HWUFKEACBZSPAS-RLLQIKCJSA-N 2 2 378.605 3.544 20 0 GHADLP CN(C(=O)N[C@@H]1CCC(C)(C)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000511393711 836939115 /nfs/dbraw/zinc/93/91/15/836939115.db2.gz HWUFKEACBZSPAS-RLLQIKCJSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC[NH+]1CCCC1 ZINC000510255538 837067467 /nfs/dbraw/zinc/06/74/67/837067467.db2.gz MEKKQDLDNZZIAO-LBPRGKRZSA-N 2 2 377.838 3.761 20 0 GHADLP O[C@H](CC1CCCC1)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510969699 844264924 /nfs/dbraw/zinc/26/49/24/844264924.db2.gz QUUGSIAFSSBWRV-MRXNPFEDSA-N 2 2 396.329 3.682 20 0 GHADLP O[C@H](CC1CCCC1)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510969699 844264933 /nfs/dbraw/zinc/26/49/33/844264933.db2.gz QUUGSIAFSSBWRV-MRXNPFEDSA-N 2 2 396.329 3.682 20 0 GHADLP COc1ccc(OCc2nc(C[NH2+]C[C@H]3CCCn4cc(C)[nH+]c43)cs2)cc1 ZINC000377837325 838039452 /nfs/dbraw/zinc/03/94/52/838039452.db2.gz LKGDKLHVDDBTGT-MRXNPFEDSA-N 2 2 398.532 3.903 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NCCCC[N@H+]3CCC[C@H](C)C3)cn2c1 ZINC000046992123 838202691 /nfs/dbraw/zinc/20/26/91/838202691.db2.gz KIYBJRSRAGATOP-KRWDZBQOSA-N 2 2 388.581 3.504 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)cn2c1 ZINC000046992123 838202698 /nfs/dbraw/zinc/20/26/98/838202698.db2.gz KIYBJRSRAGATOP-KRWDZBQOSA-N 2 2 388.581 3.504 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(C4OCCO4)cc3)CC2)cc1 ZINC000166328238 838337722 /nfs/dbraw/zinc/33/77/22/838337722.db2.gz QKUJACRVSBMCLN-UHFFFAOYSA-N 2 2 381.520 3.557 20 0 GHADLP CN(C(=O)c1cccc2ccncc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000648351041 838421254 /nfs/dbraw/zinc/42/12/54/838421254.db2.gz DWJGDOFMDIZXEG-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cccc2ccncc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000648351041 838421263 /nfs/dbraw/zinc/42/12/63/838421263.db2.gz DWJGDOFMDIZXEG-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]Cc3ccc4ncccc4c3)CC2)cc1 ZINC000513082823 844344209 /nfs/dbraw/zinc/34/42/09/844344209.db2.gz YPMAIKCEQRFRIT-UHFFFAOYSA-N 2 2 388.559 3.922 20 0 GHADLP [NH3+][C@H](CCC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000168591075 838546277 /nfs/dbraw/zinc/54/62/77/838546277.db2.gz LBEXPZXOOYFBKE-DYESRHJHSA-N 2 2 387.474 3.526 20 0 GHADLP [NH3+][C@H](CCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000168591075 838546281 /nfs/dbraw/zinc/54/62/81/838546281.db2.gz LBEXPZXOOYFBKE-DYESRHJHSA-N 2 2 387.474 3.526 20 0 GHADLP Cc1c2ccc(F)cc2sc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000376773102 838720811 /nfs/dbraw/zinc/72/08/11/838720811.db2.gz QNAUPUXWTWVAES-UHFFFAOYSA-N 2 2 389.540 3.637 20 0 GHADLP COCC1(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCC1 ZINC000463200647 838810690 /nfs/dbraw/zinc/81/06/90/838810690.db2.gz GSVQKUPBSHOTPK-UHFFFAOYSA-N 2 2 382.302 3.558 20 0 GHADLP COCC1(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCC1 ZINC000463200647 838810703 /nfs/dbraw/zinc/81/07/03/838810703.db2.gz GSVQKUPBSHOTPK-UHFFFAOYSA-N 2 2 382.302 3.558 20 0 GHADLP CN(C(=O)Nc1ccnc(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000181893383 838919056 /nfs/dbraw/zinc/91/90/56/838919056.db2.gz SYLAMOYQRNREAR-MSOLQXFVSA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1ccnc(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000181893383 838919068 /nfs/dbraw/zinc/91/90/68/838919068.db2.gz SYLAMOYQRNREAR-MSOLQXFVSA-N 2 2 393.963 3.536 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047249760 839066729 /nfs/dbraw/zinc/06/67/29/839066729.db2.gz LGBIPMZIAXVPLN-UHFFFAOYSA-N 2 2 392.503 3.904 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000378435835 839111343 /nfs/dbraw/zinc/11/13/43/839111343.db2.gz BDXTVTJKEJJWGP-HXUWFJFHSA-N 2 2 390.524 3.674 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000378435835 839111347 /nfs/dbraw/zinc/11/13/47/839111347.db2.gz BDXTVTJKEJJWGP-HXUWFJFHSA-N 2 2 390.524 3.674 20 0 GHADLP COCCC[NH+]1CCC([NH2+]Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000892803172 839115617 /nfs/dbraw/zinc/11/56/17/839115617.db2.gz ZMKCKIRSJBRNRL-UHFFFAOYSA-N 2 2 383.558 3.686 20 0 GHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(N)CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC000415125366 839248262 /nfs/dbraw/zinc/24/82/62/839248262.db2.gz DOZFQZPHIZDJEX-ZJSXRUAMSA-N 3 2 398.639 3.613 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc2ccccc2o1 ZINC000181776416 839466501 /nfs/dbraw/zinc/46/65/01/839466501.db2.gz VJPNVNJROBOSPU-KRWDZBQOSA-N 2 2 393.487 3.554 20 0 GHADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(F)c(Br)c3)CC2)C[C@H](C)O1 ZINC000110431937 844447550 /nfs/dbraw/zinc/44/75/50/844447550.db2.gz NBFBPIKDLTXBFG-GASCZTMLSA-N 2 2 399.348 3.909 20 0 GHADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(F)c(Br)c3)CC2)C[C@H](C)O1 ZINC000110431937 844447556 /nfs/dbraw/zinc/44/75/56/844447556.db2.gz NBFBPIKDLTXBFG-GASCZTMLSA-N 2 2 399.348 3.909 20 0 GHADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000580487060 839654696 /nfs/dbraw/zinc/65/46/96/839654696.db2.gz DZNJGFXQBNVIAG-GUDVDZBRSA-N 2 2 390.572 3.538 20 0 GHADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000580487060 839654703 /nfs/dbraw/zinc/65/47/03/839654703.db2.gz DZNJGFXQBNVIAG-GUDVDZBRSA-N 2 2 390.572 3.538 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000656256855 839865173 /nfs/dbraw/zinc/86/51/73/839865173.db2.gz BVNOAROPVGRTHE-GOSISDBHSA-N 2 2 391.357 3.859 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000656256855 839865183 /nfs/dbraw/zinc/86/51/83/839865183.db2.gz BVNOAROPVGRTHE-GOSISDBHSA-N 2 2 391.357 3.859 20 0 GHADLP c1c2ccccc2[nH]c1C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000684021465 839992519 /nfs/dbraw/zinc/99/25/19/839992519.db2.gz VIBHBRDNTFQZMW-FQEVSTJZSA-N 2 2 389.547 3.597 20 0 GHADLP c1c2ccccc2[nH]c1C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000684021465 839992528 /nfs/dbraw/zinc/99/25/28/839992528.db2.gz VIBHBRDNTFQZMW-FQEVSTJZSA-N 2 2 389.547 3.597 20 0 GHADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000563092779 844535338 /nfs/dbraw/zinc/53/53/38/844535338.db2.gz MUTMVSJHYMNBLO-QZTJIDSGSA-N 2 2 391.519 3.523 20 0 GHADLP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000417076734 840427619 /nfs/dbraw/zinc/42/76/19/840427619.db2.gz OMWJPYBSSWPSGW-QFIPXVFZSA-N 2 2 391.519 3.554 20 0 GHADLP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)c2)cc1 ZINC000062254515 840481731 /nfs/dbraw/zinc/48/17/31/840481731.db2.gz KRTFQDWBBFDYAV-KRWDZBQOSA-N 2 2 378.476 3.570 20 0 GHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000580980103 840556378 /nfs/dbraw/zinc/55/63/78/840556378.db2.gz WETRQUPBENHTPH-DZGCQCFKSA-N 2 2 389.284 3.967 20 0 GHADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000580980103 840556387 /nfs/dbraw/zinc/55/63/87/840556387.db2.gz WETRQUPBENHTPH-DZGCQCFKSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000580980103 840556395 /nfs/dbraw/zinc/55/63/95/840556395.db2.gz WETRQUPBENHTPH-DZGCQCFKSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000580980103 840556406 /nfs/dbraw/zinc/55/64/06/840556406.db2.gz WETRQUPBENHTPH-DZGCQCFKSA-N 2 2 389.284 3.967 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000581067441 840660034 /nfs/dbraw/zinc/66/00/34/840660034.db2.gz BLPUXDXQZUWWJB-OAQYLSRUSA-N 2 2 380.536 3.656 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000277039195 844581792 /nfs/dbraw/zinc/58/17/92/844581792.db2.gz OUOICJHUMNBEJB-SFHVURJKSA-N 2 2 389.544 3.543 20 0 GHADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000430554617 841053668 /nfs/dbraw/zinc/05/36/68/841053668.db2.gz GPCZHNRSXWKHAO-KNQAVFIVSA-N 2 2 385.577 3.527 20 0 GHADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000430554617 841053680 /nfs/dbraw/zinc/05/36/80/841053680.db2.gz GPCZHNRSXWKHAO-KNQAVFIVSA-N 2 2 385.577 3.527 20 0 GHADLP CC[NH2+]CC1CC[NH+]([C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)CC1 ZINC000430573643 841191709 /nfs/dbraw/zinc/19/17/09/841191709.db2.gz MJKOUHJRKJNNAF-ZIAGYGMSSA-N 2 2 388.581 3.904 20 0 GHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000430575814 841204790 /nfs/dbraw/zinc/20/47/90/841204790.db2.gz AIMUFRDIGGMXQI-BPXKWBHBSA-N 2 2 385.939 3.605 20 0 GHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000430575814 841204800 /nfs/dbraw/zinc/20/48/00/841204800.db2.gz AIMUFRDIGGMXQI-BPXKWBHBSA-N 2 2 385.939 3.605 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)C2)s1 ZINC000581396610 841237828 /nfs/dbraw/zinc/23/78/28/841237828.db2.gz LJOHYKQNKRUYPH-SFFNPBHPSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)C2)s1 ZINC000581396610 841237838 /nfs/dbraw/zinc/23/78/38/841237838.db2.gz LJOHYKQNKRUYPH-SFFNPBHPSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)C2)s1 ZINC000581396610 841237849 /nfs/dbraw/zinc/23/78/49/841237849.db2.gz LJOHYKQNKRUYPH-SFFNPBHPSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)C2)s1 ZINC000581396610 841237859 /nfs/dbraw/zinc/23/78/59/841237859.db2.gz LJOHYKQNKRUYPH-SFFNPBHPSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc([C@@H]([NH3+])C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000430587102 841272650 /nfs/dbraw/zinc/27/26/50/841272650.db2.gz YHAOOKZADOBFMZ-HXUWFJFHSA-N 2 2 392.528 3.648 20 0 GHADLP Cc1ccc([C@@H]([NH3+])C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000430587102 841272661 /nfs/dbraw/zinc/27/26/61/841272661.db2.gz YHAOOKZADOBFMZ-HXUWFJFHSA-N 2 2 392.528 3.648 20 0 GHADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n(C)n1 ZINC000417920762 841274499 /nfs/dbraw/zinc/27/44/99/841274499.db2.gz GYPKPIFODNQBTG-APWZRJJASA-N 2 2 380.458 3.920 20 0 GHADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n(C)n1 ZINC000417920762 841274504 /nfs/dbraw/zinc/27/45/04/841274504.db2.gz GYPKPIFODNQBTG-APWZRJJASA-N 2 2 380.458 3.920 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000277110430 844626441 /nfs/dbraw/zinc/62/64/41/844626441.db2.gz XKYWFTNCBVQQTF-UHFFFAOYSA-N 2 2 385.556 3.519 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000277110430 844626447 /nfs/dbraw/zinc/62/64/47/844626447.db2.gz XKYWFTNCBVQQTF-UHFFFAOYSA-N 2 2 385.556 3.519 20 0 GHADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cncc(Br)c3)CC2)C[C@H](C)O1 ZINC000177496877 861193679 /nfs/dbraw/zinc/19/36/79/861193679.db2.gz GDQZGXHHWOZCLF-HOTGVXAUSA-N 2 2 396.373 3.555 20 0 GHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514275 841832142 /nfs/dbraw/zinc/83/21/42/841832142.db2.gz LPDWLYZYONRJQY-JPYJTQIMSA-N 2 2 395.522 3.742 20 0 GHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514275 841832143 /nfs/dbraw/zinc/83/21/43/841832143.db2.gz LPDWLYZYONRJQY-JPYJTQIMSA-N 2 2 395.522 3.742 20 0 GHADLP CN1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000512052440 842341943 /nfs/dbraw/zinc/34/19/43/842341943.db2.gz MHCHFKMYDVTFQN-FUHWJXTLSA-N 2 2 382.936 3.532 20 0 GHADLP Brc1cccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000390901143 842343240 /nfs/dbraw/zinc/34/32/40/842343240.db2.gz HUAOELPWGGHOQD-FQEVSTJZSA-N 2 2 389.337 3.830 20 0 GHADLP Brc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000390901143 842343260 /nfs/dbraw/zinc/34/32/60/842343260.db2.gz HUAOELPWGGHOQD-FQEVSTJZSA-N 2 2 389.337 3.830 20 0 GHADLP Clc1ccc(N2CCO[C@H](C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)cc1 ZINC000623655092 861299253 /nfs/dbraw/zinc/29/92/53/861299253.db2.gz OIEHLTCGNNNOIC-GOSISDBHSA-N 2 2 388.924 3.582 20 0 GHADLP C[C@@H]1CCC[N@H+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)[C@H]1CC[NH3+] ZINC000652354468 842351237 /nfs/dbraw/zinc/35/12/37/842351237.db2.gz ZKXVPJIOBOKQJN-FYINFDKHSA-N 2 2 389.540 3.542 20 0 GHADLP C[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)[C@H]1CC[NH3+] ZINC000652354468 842351249 /nfs/dbraw/zinc/35/12/49/842351249.db2.gz ZKXVPJIOBOKQJN-FYINFDKHSA-N 2 2 389.540 3.542 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000471863623 843002644 /nfs/dbraw/zinc/00/26/44/843002644.db2.gz WRGLFXXGGIHSHY-LAUBAEHRSA-N 2 2 387.474 3.575 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000471863623 843002651 /nfs/dbraw/zinc/00/26/51/843002651.db2.gz WRGLFXXGGIHSHY-LAUBAEHRSA-N 2 2 387.474 3.575 20 0 GHADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662272818 843042723 /nfs/dbraw/zinc/04/27/23/843042723.db2.gz QQIRGCLAWWYYJY-AWEZNQCLSA-N 2 2 381.236 3.561 20 0 GHADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662272818 843042735 /nfs/dbraw/zinc/04/27/35/843042735.db2.gz QQIRGCLAWWYYJY-AWEZNQCLSA-N 2 2 381.236 3.561 20 0 GHADLP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290976 843081078 /nfs/dbraw/zinc/08/10/78/843081078.db2.gz AROAUHOUSKXVAC-MAUKXSAKSA-N 2 2 397.519 3.674 20 0 GHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CC[NH+](C2CC2)CC1 ZINC000279496377 843082863 /nfs/dbraw/zinc/08/28/63/843082863.db2.gz MEXXQCGFBIUGPY-LJQANCHMSA-N 2 2 393.934 3.607 20 0 GHADLP c1cc(-c2nc(C[NH+]3CCC(c4cc(C5CC[NH2+]CC5)n[nH]4)CC3)cs2)co1 ZINC000662327996 843156178 /nfs/dbraw/zinc/15/61/78/843156178.db2.gz XKKQUQSKHRCZMA-UHFFFAOYSA-N 2 2 397.548 3.973 20 0 GHADLP C[C@H](c1ccccc1)[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000512246387 843212167 /nfs/dbraw/zinc/21/21/67/843212167.db2.gz TZXPXKYIFXVSNV-LJQANCHMSA-N 2 2 393.531 3.683 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000512246387 843212171 /nfs/dbraw/zinc/21/21/71/843212171.db2.gz TZXPXKYIFXVSNV-LJQANCHMSA-N 2 2 393.531 3.683 20 0 GHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC000066568451 843362170 /nfs/dbraw/zinc/36/21/70/843362170.db2.gz FXXPGXAQRZTZIF-INIZCTEOSA-N 2 2 395.950 3.806 20 0 GHADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329434896 861420067 /nfs/dbraw/zinc/42/00/67/861420067.db2.gz JJOBOIRSUWLVFS-PMACEKPBSA-N 2 2 395.551 3.689 20 0 GHADLP CC1CC[NH+]([C@H](CNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)c2cccs2)CC1 ZINC000662664431 843502159 /nfs/dbraw/zinc/50/21/59/843502159.db2.gz XJFRWKDMATWNRK-MJGOQNOKSA-N 2 2 393.503 3.616 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000549613487 843597266 /nfs/dbraw/zinc/59/72/66/843597266.db2.gz IFUWNBFXRPTLAT-UWJYYQICSA-N 2 2 397.494 3.734 20 0 GHADLP Cc1noc(C)c1CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510873865 843683183 /nfs/dbraw/zinc/68/31/83/843683183.db2.gz HEKXSUJCNPGLFJ-UHFFFAOYSA-N 2 2 393.285 3.588 20 0 GHADLP Cc1noc(C)c1CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510873865 843683186 /nfs/dbraw/zinc/68/31/86/843683186.db2.gz HEKXSUJCNPGLFJ-UHFFFAOYSA-N 2 2 393.285 3.588 20 0 GHADLP COCC[NH+](CCOC)C1CC[NH+]([C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000512826516 843816136 /nfs/dbraw/zinc/81/61/36/843816136.db2.gz FDOCYIYHNXRRME-MRXNPFEDSA-N 2 2 388.474 3.826 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1Br ZINC000419290642 843887602 /nfs/dbraw/zinc/88/76/02/843887602.db2.gz KKVPANHVXJVLBM-AWEZNQCLSA-N 2 2 394.357 3.691 20 0 GHADLP CCOc1cc(C[NH2+]C2CC[NH+](C)CC2)cc(Br)c1OC(F)F ZINC000236914868 843891811 /nfs/dbraw/zinc/89/18/11/843891811.db2.gz IRYXUTWBCYPBRX-UHFFFAOYSA-N 2 2 393.272 3.633 20 0 GHADLP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000512904580 843956149 /nfs/dbraw/zinc/95/61/49/843956149.db2.gz XIQLBJGCFPRHDD-JBMNDPOGSA-N 2 2 383.580 3.632 20 0 GHADLP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000512904580 843956158 /nfs/dbraw/zinc/95/61/58/843956158.db2.gz XIQLBJGCFPRHDD-JBMNDPOGSA-N 2 2 383.580 3.632 20 0 GHADLP Cc1cc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000237613484 843959802 /nfs/dbraw/zinc/95/98/02/843959802.db2.gz SJEZJVDCKPMJMN-SFTDATJTSA-N 2 2 397.563 3.866 20 0 GHADLP CN(C(=O)NCC1CCCCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535866471 844865151 /nfs/dbraw/zinc/86/51/51/844865151.db2.gz OEOJEXCGUPLZOB-SFTDATJTSA-N 2 2 378.605 3.545 20 0 GHADLP CN(C(=O)NCC1CCCCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535866471 844865159 /nfs/dbraw/zinc/86/51/59/844865159.db2.gz OEOJEXCGUPLZOB-SFTDATJTSA-N 2 2 378.605 3.545 20 0 GHADLP C[NH+](C)[C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)cc2)CC1 ZINC000277152392 844870742 /nfs/dbraw/zinc/87/07/42/844870742.db2.gz JQUTZWGSLNEWLY-ZEQRLZLVSA-N 4 2 386.628 3.519 20 0 GHADLP C[NH+](C)[C@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)cc2)CC1 ZINC000277152392 844870744 /nfs/dbraw/zinc/87/07/44/844870744.db2.gz JQUTZWGSLNEWLY-ZEQRLZLVSA-N 4 2 386.628 3.519 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000512663909 844949936 /nfs/dbraw/zinc/94/99/36/844949936.db2.gz SGLLLOCZAVFPRA-HDICACEKSA-N 2 2 386.971 3.879 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000512663909 844949946 /nfs/dbraw/zinc/94/99/46/844949946.db2.gz SGLLLOCZAVFPRA-HDICACEKSA-N 2 2 386.971 3.879 20 0 GHADLP c1c2ccccc2oc1C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512701140 845088058 /nfs/dbraw/zinc/08/80/58/845088058.db2.gz JBHDIJDMSBLGTH-HXUWFJFHSA-N 2 2 390.531 3.862 20 0 GHADLP c1c2ccccc2oc1C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512701140 845088073 /nfs/dbraw/zinc/08/80/73/845088073.db2.gz JBHDIJDMSBLGTH-HXUWFJFHSA-N 2 2 390.531 3.862 20 0 GHADLP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000513477006 845513916 /nfs/dbraw/zinc/51/39/16/845513916.db2.gz XLCYKXHLZVJZBW-UHFFFAOYSA-N 2 2 396.922 3.789 20 0 GHADLP Cc1cc(F)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000124576870 845541119 /nfs/dbraw/zinc/54/11/19/845541119.db2.gz FSBAMFKWQFJOJR-NHCUHLMSSA-N 2 2 393.522 3.682 20 0 GHADLP Cc1cc(F)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000124576870 845541123 /nfs/dbraw/zinc/54/11/23/845541123.db2.gz FSBAMFKWQFJOJR-NHCUHLMSSA-N 2 2 393.522 3.682 20 0 GHADLP CCn1nc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c2ccccc21 ZINC000472048581 845587624 /nfs/dbraw/zinc/58/76/24/845587624.db2.gz RFOICFVLTCMJIT-RTBURBONSA-N 2 2 392.547 3.955 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000536371449 845653305 /nfs/dbraw/zinc/65/33/05/845653305.db2.gz WYKRALJNIOMLJH-HOTGVXAUSA-N 2 2 386.927 3.877 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c(C)c1 ZINC000433958491 845668782 /nfs/dbraw/zinc/66/87/82/845668782.db2.gz OOBWVPPYKOQQMT-UNMCSNQZSA-N 2 2 395.551 3.557 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c(C)c1 ZINC000433958491 845668793 /nfs/dbraw/zinc/66/87/93/845668793.db2.gz OOBWVPPYKOQQMT-UNMCSNQZSA-N 2 2 395.551 3.557 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CCCCN1C(=O)c3ccccc3C1=O)CCC2 ZINC000472141198 846124475 /nfs/dbraw/zinc/12/44/75/846124475.db2.gz ZPAKLECZDWOXED-WMZOPIPTSA-N 2 2 394.519 3.514 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(CCCc3c(F)cccc3Cl)CC2)CC1 ZINC000421382477 846198694 /nfs/dbraw/zinc/19/86/94/846198694.db2.gz XSKBWSKPMJOEIF-UHFFFAOYSA-N 2 2 381.967 3.904 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(CCCc3c(F)cccc3Cl)CC2)CC1 ZINC000421382477 846198698 /nfs/dbraw/zinc/19/86/98/846198698.db2.gz XSKBWSKPMJOEIF-UHFFFAOYSA-N 2 2 381.967 3.904 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C(F)(F)F)s3)CC2)CC1 ZINC000421381900 846199105 /nfs/dbraw/zinc/19/91/05/846199105.db2.gz XKDJWFJKIGDAGW-UHFFFAOYSA-N 2 2 375.504 3.759 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)s3)CC2)CC1 ZINC000421381900 846199115 /nfs/dbraw/zinc/19/91/15/846199115.db2.gz XKDJWFJKIGDAGW-UHFFFAOYSA-N 2 2 375.504 3.759 20 0 GHADLP CC(C)c1nn(-c2ccccc2)cc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000513659863 846226556 /nfs/dbraw/zinc/22/65/56/846226556.db2.gz DQGNNDFGNFZLFD-QHCPKHFHSA-N 2 2 395.595 3.598 20 0 GHADLP CC(C)c1nn(-c2ccccc2)cc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000513659863 846226570 /nfs/dbraw/zinc/22/65/70/846226570.db2.gz DQGNNDFGNFZLFD-QHCPKHFHSA-N 2 2 395.595 3.598 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)CCCc3ccccc3)CC2)CC1 ZINC000422015087 846732713 /nfs/dbraw/zinc/73/27/13/846732713.db2.gz GOLZMZXKKGALEV-NRFANRHFSA-N 2 2 385.596 3.664 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)CCCc3ccccc3)CC2)CC1 ZINC000422015087 846732716 /nfs/dbraw/zinc/73/27/16/846732716.db2.gz GOLZMZXKKGALEV-NRFANRHFSA-N 2 2 385.596 3.664 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCC(C)(C)c3ccccc3)CC2)CC1 ZINC000422014062 846753472 /nfs/dbraw/zinc/75/34/72/846753472.db2.gz FUAIWJZYEZPCLN-UHFFFAOYSA-N 2 2 385.596 3.763 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCC(C)(C)c3ccccc3)CC2)CC1 ZINC000422014062 846753474 /nfs/dbraw/zinc/75/34/74/846753474.db2.gz FUAIWJZYEZPCLN-UHFFFAOYSA-N 2 2 385.596 3.763 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(C)c4ccccc34)CC2)CC1 ZINC000422022016 846754257 /nfs/dbraw/zinc/75/42/57/846754257.db2.gz NZUMREPGXNEUJX-UHFFFAOYSA-N 2 2 379.548 3.780 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(C)c4ccccc34)CC2)CC1 ZINC000422022016 846754271 /nfs/dbraw/zinc/75/42/71/846754271.db2.gz NZUMREPGXNEUJX-UHFFFAOYSA-N 2 2 379.548 3.780 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(F)ccc3-c3ccoc3)CC2)CC1 ZINC000422024093 846755535 /nfs/dbraw/zinc/75/55/35/846755535.db2.gz QUXRBRMGVXGAEU-UHFFFAOYSA-N 2 2 399.510 3.718 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(F)ccc3-c3ccoc3)CC2)CC1 ZINC000422024093 846755537 /nfs/dbraw/zinc/75/55/37/846755537.db2.gz QUXRBRMGVXGAEU-UHFFFAOYSA-N 2 2 399.510 3.718 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC(CC(C)C)CC(C)C)CC2)CC1 ZINC000422148694 846852671 /nfs/dbraw/zinc/85/26/71/846852671.db2.gz BQMNKEKOZKKATR-UHFFFAOYSA-N 2 2 380.621 3.649 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC(CC(C)C)CC(C)C)CC2)CC1 ZINC000422148694 846852683 /nfs/dbraw/zinc/85/26/83/846852683.db2.gz BQMNKEKOZKKATR-UHFFFAOYSA-N 2 2 380.621 3.649 20 0 GHADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000501375976 846878592 /nfs/dbraw/zinc/87/85/92/846878592.db2.gz DDXQMZBYSYYVQN-OFNKIYASSA-N 2 2 395.547 3.609 20 0 GHADLP [NH3+]C[C@@H]([NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C1CCCCC1 ZINC000420366755 847142292 /nfs/dbraw/zinc/14/22/92/847142292.db2.gz MFEKBMZXOSHGOV-OFNKIYASSA-N 2 2 397.588 3.719 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420406344 847170436 /nfs/dbraw/zinc/17/04/36/847170436.db2.gz NSIBZVOUQYEREN-JUXOCIIHSA-N 2 2 381.520 3.682 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420406344 847170440 /nfs/dbraw/zinc/17/04/40/847170440.db2.gz NSIBZVOUQYEREN-JUXOCIIHSA-N 2 2 381.520 3.682 20 0 GHADLP Cc1nc(NCC2CC[NH+](Cc3ccncc3)CC2)c(Br)c(C)[nH+]1 ZINC000664285204 847178729 /nfs/dbraw/zinc/17/87/29/847178729.db2.gz YKKSHJCYDXGVRM-UHFFFAOYSA-N 2 2 390.329 3.575 20 0 GHADLP CC[C@H](C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)[N@H+](C)Cc1ccccc1 ZINC000582518484 847471772 /nfs/dbraw/zinc/47/17/72/847471772.db2.gz QVTULGSJYISGEX-OAQYLSRUSA-N 2 2 381.520 3.670 20 0 GHADLP CC[C@H](C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000582518484 847471779 /nfs/dbraw/zinc/47/17/79/847471779.db2.gz QVTULGSJYISGEX-OAQYLSRUSA-N 2 2 381.520 3.670 20 0 GHADLP Cc1cc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000420848406 847486007 /nfs/dbraw/zinc/48/60/07/847486007.db2.gz MAPABWPUACRNPH-XZOQPEGZSA-N 2 2 392.547 3.895 20 0 GHADLP Cc1cc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000420848406 847486017 /nfs/dbraw/zinc/48/60/17/847486017.db2.gz MAPABWPUACRNPH-XZOQPEGZSA-N 2 2 392.547 3.895 20 0 GHADLP Cc1cc(CNC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000420855777 847490777 /nfs/dbraw/zinc/49/07/77/847490777.db2.gz XBAARPVGNNLMQO-PZJWPPBQSA-N 2 2 380.536 3.798 20 0 GHADLP Cc1cc(CNC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000420855777 847490784 /nfs/dbraw/zinc/49/07/84/847490784.db2.gz XBAARPVGNNLMQO-PZJWPPBQSA-N 2 2 380.536 3.798 20 0 GHADLP Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420936403 847555697 /nfs/dbraw/zinc/55/56/97/847555697.db2.gz MVRMNLXEURNZOJ-HSZRJFAPSA-N 2 2 390.531 3.743 20 0 GHADLP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420936403 847555700 /nfs/dbraw/zinc/55/57/00/847555700.db2.gz MVRMNLXEURNZOJ-HSZRJFAPSA-N 2 2 390.531 3.743 20 0 GHADLP OCC1([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2cccs2)CCC1 ZINC000420972652 847600557 /nfs/dbraw/zinc/60/05/57/847600557.db2.gz MFIZBDSAXCBLBN-OAQYLSRUSA-N 2 2 386.561 3.574 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(Cl)c4cccnc34)CC2)CC1 ZINC000420976414 847603327 /nfs/dbraw/zinc/60/33/27/847603327.db2.gz GYTJGMSHJWUXFS-UHFFFAOYSA-N 2 2 386.971 3.880 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(Cl)c4cccnc34)CC2)CC1 ZINC000420976414 847603335 /nfs/dbraw/zinc/60/33/35/847603335.db2.gz GYTJGMSHJWUXFS-UHFFFAOYSA-N 2 2 386.971 3.880 20 0 GHADLP c1ccc2c(c1)CCOC21CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420977672 847604360 /nfs/dbraw/zinc/60/43/60/847604360.db2.gz SCTBAYBRMTWILR-UHFFFAOYSA-N 2 2 392.543 3.583 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3nc(-c4ccccc4)oc3C)CC2)CC1 ZINC000420999703 847621396 /nfs/dbraw/zinc/62/13/96/847621396.db2.gz CQAWPPSHBZEUJZ-UHFFFAOYSA-N 2 2 382.552 3.642 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3nc(-c4ccccc4)oc3C)CC2)CC1 ZINC000420999703 847621403 /nfs/dbraw/zinc/62/14/03/847621403.db2.gz CQAWPPSHBZEUJZ-UHFFFAOYSA-N 2 2 382.552 3.642 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3nc(-c4ccccc4)oc3C)CC2)CC1 ZINC000420999703 847621412 /nfs/dbraw/zinc/62/14/12/847621412.db2.gz CQAWPPSHBZEUJZ-UHFFFAOYSA-N 2 2 382.552 3.642 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3nc(-c4ccccc4)oc3C)CC2)CC1 ZINC000420999703 847621420 /nfs/dbraw/zinc/62/14/20/847621420.db2.gz CQAWPPSHBZEUJZ-UHFFFAOYSA-N 2 2 382.552 3.642 20 0 GHADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380699 847654754 /nfs/dbraw/zinc/65/47/54/847654754.db2.gz VYBADWHXUJSKSL-YRIDSSQKSA-N 2 2 386.584 3.728 20 0 GHADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380699 847654759 /nfs/dbraw/zinc/65/47/59/847654759.db2.gz VYBADWHXUJSKSL-YRIDSSQKSA-N 2 2 386.584 3.728 20 0 GHADLP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503404532 847668430 /nfs/dbraw/zinc/66/84/30/847668430.db2.gz GYJJDYFOABTBAY-ICSRJNTNSA-N 2 2 392.547 3.767 20 0 GHADLP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503404532 847668433 /nfs/dbraw/zinc/66/84/33/847668433.db2.gz GYJJDYFOABTBAY-ICSRJNTNSA-N 2 2 392.547 3.767 20 0 GHADLP O=C1[C@@H]([N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCN1c1cccc(Cl)c1 ZINC000503436047 847693358 /nfs/dbraw/zinc/69/33/58/847693358.db2.gz BURJNCDDLCIADX-UZLBHIALSA-N 2 2 398.938 3.858 20 0 GHADLP O=C1[C@@H]([N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCN1c1cccc(Cl)c1 ZINC000503436047 847693362 /nfs/dbraw/zinc/69/33/62/847693362.db2.gz BURJNCDDLCIADX-UZLBHIALSA-N 2 2 398.938 3.858 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cc(C)c(Cl)c(C)c3)CC2)CC1 ZINC000421131324 847763780 /nfs/dbraw/zinc/76/37/80/847763780.db2.gz ZNZYAPDJQBKABQ-UHFFFAOYSA-N 2 2 392.975 3.981 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cc(C)c(Cl)c(C)c3)CC2)CC1 ZINC000421131324 847763790 /nfs/dbraw/zinc/76/37/90/847763790.db2.gz ZNZYAPDJQBKABQ-UHFFFAOYSA-N 2 2 392.975 3.981 20 0 GHADLP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1OCC(=O)N1CCCC1 ZINC000422726248 847800168 /nfs/dbraw/zinc/80/01/68/847800168.db2.gz ZKTHYCZGFQIQLF-FKBYEOEOSA-N 2 2 393.531 3.873 20 0 GHADLP CCC(CC)C(=O)N1CCC([NH2+][C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422726434 847800223 /nfs/dbraw/zinc/80/02/23/847800223.db2.gz ZWSCHDLNVNCIRW-YADHBBJMSA-N 2 2 387.568 3.505 20 0 GHADLP CC[C@@H]1C[C@H](C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC000503582301 847802686 /nfs/dbraw/zinc/80/26/86/847802686.db2.gz YHKKRNYPJXDULC-WIYYLYMNSA-N 2 2 379.976 3.647 20 0 GHADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCCSc1ccccc1Br ZINC000422749976 847810391 /nfs/dbraw/zinc/81/03/91/847810391.db2.gz BQLFUHSITPCYMM-LSDHHAIUSA-N 2 2 387.387 3.678 20 0 GHADLP Clc1ccc([C@@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C2CCCC2)cc1 ZINC000684957099 847894154 /nfs/dbraw/zinc/89/41/54/847894154.db2.gz NYXQDEOFBUPNPF-VXKWHMMOSA-N 2 2 391.987 3.567 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)[C@H]2CCC[NH2+]2)cc1 ZINC000422971265 847921796 /nfs/dbraw/zinc/92/17/96/847921796.db2.gz XYFRVZPXHUQPJR-ZLNRFVROSA-N 2 2 382.548 3.880 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC000657564392 848216322 /nfs/dbraw/zinc/21/63/22/848216322.db2.gz USQHUUMMILJCIM-GOSISDBHSA-N 2 2 394.401 3.876 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC000657564392 848216323 /nfs/dbraw/zinc/21/63/23/848216323.db2.gz USQHUUMMILJCIM-GOSISDBHSA-N 2 2 394.401 3.876 20 0 GHADLP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000604206860 861947062 /nfs/dbraw/zinc/94/70/62/861947062.db2.gz WWCYFQDTMYKBJA-PMACEKPBSA-N 2 2 381.524 3.526 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)c(OC)c1 ZINC000583087502 849037151 /nfs/dbraw/zinc/03/71/51/849037151.db2.gz XWUWBMLPSZFWAP-BEFAXECRSA-N 2 2 387.549 3.791 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)c(OC)c1 ZINC000583087502 849037161 /nfs/dbraw/zinc/03/71/61/849037161.db2.gz XWUWBMLPSZFWAP-BEFAXECRSA-N 2 2 387.549 3.791 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)c(OC)c1 ZINC000583087504 849037377 /nfs/dbraw/zinc/03/73/77/849037377.db2.gz XWUWBMLPSZFWAP-HNAYVOBHSA-N 2 2 387.549 3.791 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)c(OC)c1 ZINC000583087504 849037381 /nfs/dbraw/zinc/03/73/81/849037381.db2.gz XWUWBMLPSZFWAP-HNAYVOBHSA-N 2 2 387.549 3.791 20 0 GHADLP CCCCN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H](C)c1ccc(C)o1 ZINC000604208754 861993567 /nfs/dbraw/zinc/99/35/67/861993567.db2.gz MNCXPEYLDGLTGU-RTBURBONSA-N 2 2 390.572 3.629 20 0 GHADLP CCCCN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H](C)c1ccc(C)o1 ZINC000604208754 861993579 /nfs/dbraw/zinc/99/35/79/861993579.db2.gz MNCXPEYLDGLTGU-RTBURBONSA-N 2 2 390.572 3.629 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000423098939 849743087 /nfs/dbraw/zinc/74/30/87/849743087.db2.gz DLZGHAKLZCQMMI-OBFGGOEXSA-N 3 2 391.987 3.611 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423098939 849743096 /nfs/dbraw/zinc/74/30/96/849743096.db2.gz DLZGHAKLZCQMMI-OBFGGOEXSA-N 3 2 391.987 3.611 20 0 GHADLP C[C@H](CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000425179033 849749462 /nfs/dbraw/zinc/74/94/62/849749462.db2.gz SYQBVQNAYRJZET-NQIIRXRSSA-N 2 2 376.504 3.568 20 0 GHADLP C[C@H](CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000425179033 849749470 /nfs/dbraw/zinc/74/94/70/849749470.db2.gz SYQBVQNAYRJZET-NQIIRXRSSA-N 2 2 376.504 3.568 20 0 GHADLP C[C@H](CCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000425198470 849786819 /nfs/dbraw/zinc/78/68/19/849786819.db2.gz YBEATMAJFHTNNX-KNQAVFIVSA-N 2 2 390.531 3.959 20 0 GHADLP C[C@H](CCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000425198470 849786826 /nfs/dbraw/zinc/78/68/26/849786826.db2.gz YBEATMAJFHTNNX-KNQAVFIVSA-N 2 2 390.531 3.959 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCCO2 ZINC000423194944 849799842 /nfs/dbraw/zinc/79/98/42/849799842.db2.gz ZRMBUTCVOKIZJF-GOSISDBHSA-N 2 2 390.325 3.827 20 0 GHADLP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425208523 849805578 /nfs/dbraw/zinc/80/55/78/849805578.db2.gz MXLRETXJKWUHFA-OAQYLSRUSA-N 2 2 394.494 3.661 20 0 GHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000423248032 849829599 /nfs/dbraw/zinc/82/95/99/849829599.db2.gz RHYKWNXPSNLAFW-YWZLYKJASA-N 2 2 375.538 3.532 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1Cn1cccn1 ZINC000156261507 849835038 /nfs/dbraw/zinc/83/50/38/849835038.db2.gz DOZFGZXLJLZJOX-SFHVURJKSA-N 2 2 391.519 3.655 20 0 GHADLP [NH3+]CCC[C@@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1 ZINC000414729118 849837374 /nfs/dbraw/zinc/83/73/74/849837374.db2.gz CGKOTPTWXXOBNL-GOSISDBHSA-N 2 2 387.553 3.731 20 0 GHADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)c1ccc(OC)c(OC)c1 ZINC000423337578 849871976 /nfs/dbraw/zinc/87/19/76/849871976.db2.gz RDPPOFCSKHKUQH-QHAWAJNXSA-N 2 2 384.520 3.899 20 0 GHADLP Oc1ccc(Br)c(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000415003014 850191882 /nfs/dbraw/zinc/19/18/82/850191882.db2.gz MXOQSWPODVYBRR-MAUKXSAKSA-N 2 2 393.300 3.777 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000518892044 850289508 /nfs/dbraw/zinc/28/95/08/850289508.db2.gz YNLBQZWRWWFLPI-SFTDATJTSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000518892044 850289518 /nfs/dbraw/zinc/28/95/18/850289518.db2.gz YNLBQZWRWWFLPI-SFTDATJTSA-N 2 2 385.939 3.724 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC4(CCC4)[C@@H]3C3CCOCC3)sc2C1 ZINC000425373879 850466026 /nfs/dbraw/zinc/46/60/26/850466026.db2.gz QQQHWLRYQGMTLD-FQEVSTJZSA-N 2 2 375.582 3.691 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC4(CCC4)[C@@H]3C3CCOCC3)sc2C1 ZINC000425373879 850466033 /nfs/dbraw/zinc/46/60/33/850466033.db2.gz QQQHWLRYQGMTLD-FQEVSTJZSA-N 2 2 375.582 3.691 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC4(CCC4)[C@@H]3C3CCOCC3)sc2C1 ZINC000425373879 850466035 /nfs/dbraw/zinc/46/60/35/850466035.db2.gz QQQHWLRYQGMTLD-FQEVSTJZSA-N 2 2 375.582 3.691 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC4(CCC4)[C@@H]3C3CCOCC3)sc2C1 ZINC000425373879 850466036 /nfs/dbraw/zinc/46/60/36/850466036.db2.gz QQQHWLRYQGMTLD-FQEVSTJZSA-N 2 2 375.582 3.691 20 0 GHADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000519178862 850706837 /nfs/dbraw/zinc/70/68/37/850706837.db2.gz PSZPZYUMNMGBGF-LIRRHRJNSA-N 2 2 390.478 3.598 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cc1 ZINC000513989143 851112904 /nfs/dbraw/zinc/11/29/04/851112904.db2.gz HVMUNXOXRUDPJZ-NRFANRHFSA-N 2 2 385.939 3.969 20 0 GHADLP Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000440453582 851587833 /nfs/dbraw/zinc/58/78/33/851587833.db2.gz QSUPPFVGFSRBMQ-HSZRJFAPSA-N 2 2 382.548 3.640 20 0 GHADLP Cc1cc(C)cc(OC[C@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000440453582 851587843 /nfs/dbraw/zinc/58/78/43/851587843.db2.gz QSUPPFVGFSRBMQ-HSZRJFAPSA-N 2 2 382.548 3.640 20 0 GHADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000436469102 851955229 /nfs/dbraw/zinc/95/52/29/851955229.db2.gz ZBFJVYHVLSAINA-UBFVSLLYSA-N 2 2 394.559 3.960 20 0 GHADLP C[N@H+](Cc1ccc(Br)s1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940823 851955504 /nfs/dbraw/zinc/95/55/04/851955504.db2.gz AVPWUGRIVLZYKT-GOSISDBHSA-N 2 2 395.366 3.579 20 0 GHADLP C[N@@H+](Cc1ccc(Br)s1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940823 851955506 /nfs/dbraw/zinc/95/55/06/851955506.db2.gz AVPWUGRIVLZYKT-GOSISDBHSA-N 2 2 395.366 3.579 20 0 GHADLP C[NH+](Cc1ccc(Br)s1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425940823 851955514 /nfs/dbraw/zinc/95/55/14/851955514.db2.gz AVPWUGRIVLZYKT-GOSISDBHSA-N 2 2 395.366 3.579 20 0 GHADLP C[NH+](Cc1ccc(Br)s1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425940823 851955520 /nfs/dbraw/zinc/95/55/20/851955520.db2.gz AVPWUGRIVLZYKT-GOSISDBHSA-N 2 2 395.366 3.579 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000517596187 852129861 /nfs/dbraw/zinc/12/98/61/852129861.db2.gz MIMBMXMFANLXTG-QAPCUYQASA-N 2 2 378.442 3.538 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000517596187 852129864 /nfs/dbraw/zinc/12/98/64/852129864.db2.gz MIMBMXMFANLXTG-QAPCUYQASA-N 2 2 378.442 3.538 20 0 GHADLP CCOC(=O)[C@@H](c1ccccc1)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489297471 852203984 /nfs/dbraw/zinc/20/39/84/852203984.db2.gz WSIFAGFRHILWAZ-JOCHJYFZSA-N 2 2 381.520 3.924 20 0 GHADLP CCOC(=O)[C@@H](c1ccccc1)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489297471 852203995 /nfs/dbraw/zinc/20/39/95/852203995.db2.gz WSIFAGFRHILWAZ-JOCHJYFZSA-N 2 2 381.520 3.924 20 0 GHADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC(=O)c3c[nH]c4ccccc34)CC2)C[C@H](C)O1 ZINC000426814804 852425079 /nfs/dbraw/zinc/42/50/79/852425079.db2.gz IHXMMFLGGURVFZ-HDICACEKSA-N 2 2 383.536 3.562 20 0 GHADLP C[C@@H]1C[N@H+](CCC2CC[NH+](CC(=O)c3c[nH]c4ccccc34)CC2)C[C@H](C)O1 ZINC000426814804 852425089 /nfs/dbraw/zinc/42/50/89/852425089.db2.gz IHXMMFLGGURVFZ-HDICACEKSA-N 2 2 383.536 3.562 20 0 GHADLP CCc1ccc([C@H](CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)[NH+](C)C)cc1 ZINC000604632871 862361023 /nfs/dbraw/zinc/36/10/23/862361023.db2.gz JBUIFUWNQFDXLB-QFIPXVFZSA-N 2 2 391.519 3.537 20 0 GHADLP Brc1ccc(-c2ncc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)s2)cc1 ZINC000427146989 852774009 /nfs/dbraw/zinc/77/40/09/852774009.db2.gz ZEUCXSRUELACDA-XJKSGUPXSA-N 2 2 378.339 3.756 20 0 GHADLP Brc1ccc(-c2ncc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)s2)cc1 ZINC000427146989 852774014 /nfs/dbraw/zinc/77/40/14/852774014.db2.gz ZEUCXSRUELACDA-XJKSGUPXSA-N 2 2 378.339 3.756 20 0 GHADLP O=C(NCCCNc1cccc[nH+]1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000426153664 852868326 /nfs/dbraw/zinc/86/83/26/852868326.db2.gz OIEMLSWNSNPCNM-UHFFFAOYSA-N 2 2 397.523 3.570 20 0 GHADLP CC(C)[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)Cc1cccs1 ZINC000516746132 852967342 /nfs/dbraw/zinc/96/73/42/852967342.db2.gz JOJBTRQAPLXQBL-IBGZPJMESA-N 2 2 385.577 3.864 20 0 GHADLP CC(C)[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)Cc1cccs1 ZINC000516746132 852967348 /nfs/dbraw/zinc/96/73/48/852967348.db2.gz JOJBTRQAPLXQBL-IBGZPJMESA-N 2 2 385.577 3.864 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](Cc2ccc(C)cc2)c2ccccn2)CC1 ZINC000516797802 853018111 /nfs/dbraw/zinc/01/81/11/853018111.db2.gz HXSZWDINKIPTRV-HSZRJFAPSA-N 2 2 395.547 3.681 20 0 GHADLP COc1ccccc1-c1ncc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cn1 ZINC000490536590 853091526 /nfs/dbraw/zinc/09/15/26/853091526.db2.gz SRKUMUSZIMDKLC-UHFFFAOYSA-N 2 2 376.504 3.764 20 0 GHADLP COc1ccccc1-c1ncc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cn1 ZINC000490536590 853091532 /nfs/dbraw/zinc/09/15/32/853091532.db2.gz SRKUMUSZIMDKLC-UHFFFAOYSA-N 2 2 376.504 3.764 20 0 GHADLP COc1cc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000518272012 853146527 /nfs/dbraw/zinc/14/65/27/853146527.db2.gz YMPRYHBFHVJFCT-PMACEKPBSA-N 2 2 398.547 3.863 20 0 GHADLP Cc1nc(COc2ccc(C[NH2+][C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)cc2)no1 ZINC000518280268 853158662 /nfs/dbraw/zinc/15/86/62/853158662.db2.gz ZSVZHQICOVIGAZ-QGZVFWFLSA-N 2 2 395.507 3.556 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000490800644 853272608 /nfs/dbraw/zinc/27/26/08/853272608.db2.gz ULHGQUYLVVSAEJ-PZJWPPBQSA-N 2 2 388.515 3.821 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000490800644 853272613 /nfs/dbraw/zinc/27/26/13/853272613.db2.gz ULHGQUYLVVSAEJ-PZJWPPBQSA-N 2 2 388.515 3.821 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491058977 853431356 /nfs/dbraw/zinc/43/13/56/853431356.db2.gz QDIRNIIGRGAJHL-TZIWHRDSSA-N 2 2 389.559 3.761 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491058977 853431360 /nfs/dbraw/zinc/43/13/60/853431360.db2.gz QDIRNIIGRGAJHL-TZIWHRDSSA-N 2 2 389.559 3.761 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000760657452 853655601 /nfs/dbraw/zinc/65/56/01/853655601.db2.gz NHHVMUVWVSWCTR-UHFFFAOYSA-N 2 2 384.524 3.668 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c(C)c1 ZINC000440873213 853717963 /nfs/dbraw/zinc/71/79/63/853717963.db2.gz IKDLTTFITSRGFX-AZUAARDMSA-N 2 2 385.556 3.517 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1CNc1cc[nH+]c(OCC(F)(F)C(F)F)c1 ZINC000571489844 853892705 /nfs/dbraw/zinc/89/27/05/853892705.db2.gz JYFWUKAQHNZCNR-UHFFFAOYSA-N 2 2 395.360 3.862 20 0 GHADLP C[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+](C2CCC2)C1 ZINC000571710107 853996793 /nfs/dbraw/zinc/99/67/93/853996793.db2.gz GFHYINGYHVEQFD-XMSQKQJNSA-N 2 2 387.543 3.513 20 0 GHADLP C[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@H+](C2CCC2)C1 ZINC000571710107 853996796 /nfs/dbraw/zinc/99/67/96/853996796.db2.gz GFHYINGYHVEQFD-XMSQKQJNSA-N 2 2 387.543 3.513 20 0 GHADLP C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+](C2CCC2)C1 ZINC000571710107 853996798 /nfs/dbraw/zinc/99/67/98/853996798.db2.gz GFHYINGYHVEQFD-XMSQKQJNSA-N 2 2 387.543 3.513 20 0 GHADLP C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC[NH+](C2CCC2)C1 ZINC000571710107 853996801 /nfs/dbraw/zinc/99/68/01/853996801.db2.gz GFHYINGYHVEQFD-XMSQKQJNSA-N 2 2 387.543 3.513 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441368444 854151410 /nfs/dbraw/zinc/15/14/10/854151410.db2.gz BEMMHIVLQVEXMQ-HOTGVXAUSA-N 2 2 383.939 3.632 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441368444 854151412 /nfs/dbraw/zinc/15/14/12/854151412.db2.gz BEMMHIVLQVEXMQ-HOTGVXAUSA-N 2 2 383.939 3.632 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441368444 854151414 /nfs/dbraw/zinc/15/14/14/854151414.db2.gz BEMMHIVLQVEXMQ-HOTGVXAUSA-N 2 2 383.939 3.632 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441368444 854151416 /nfs/dbraw/zinc/15/14/16/854151416.db2.gz BEMMHIVLQVEXMQ-HOTGVXAUSA-N 2 2 383.939 3.632 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2cccc(F)c2)c(C)c1 ZINC000441378598 854162895 /nfs/dbraw/zinc/16/28/95/854162895.db2.gz HYACXQHBNSGZKR-DYESRHJHSA-N 2 2 380.467 3.997 20 0 GHADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(=O)NCc1ccccc1 ZINC000441380663 854166328 /nfs/dbraw/zinc/16/63/28/854166328.db2.gz QVGVRVLBWYVJGB-XZOQPEGZSA-N 2 2 390.531 3.926 20 0 GHADLP CC(C)C[C@H]1CCCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466586019 862549336 /nfs/dbraw/zinc/54/93/36/862549336.db2.gz BSKWODKQTXSULG-HXUWFJFHSA-N 2 2 378.605 3.547 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000572129977 854407680 /nfs/dbraw/zinc/40/76/80/854407680.db2.gz FPLPUHGZXYUWKO-VQTJNVASSA-N 2 2 389.902 3.546 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000572129977 854407685 /nfs/dbraw/zinc/40/76/85/854407685.db2.gz FPLPUHGZXYUWKO-VQTJNVASSA-N 2 2 389.902 3.546 20 0 GHADLP Cc1ccccc1[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001128010896 854799815 /nfs/dbraw/zinc/79/98/15/854799815.db2.gz JQWMMROENSQTOJ-WWPVKYPJSA-N 2 2 385.596 3.894 20 0 GHADLP Cc1ccccc1[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001128010896 854799821 /nfs/dbraw/zinc/79/98/21/854799821.db2.gz JQWMMROENSQTOJ-WWPVKYPJSA-N 2 2 385.596 3.894 20 0 GHADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc[nH+]1 ZINC000330139077 862607641 /nfs/dbraw/zinc/60/76/41/862607641.db2.gz ORBOTXZWNMWAFH-JKBKZWBZSA-N 2 2 387.572 3.544 20 0 GHADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc[nH+]1 ZINC000330139077 862607646 /nfs/dbraw/zinc/60/76/46/862607646.db2.gz ORBOTXZWNMWAFH-JKBKZWBZSA-N 2 2 387.572 3.544 20 0 GHADLP Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCC2 ZINC000765792187 854825190 /nfs/dbraw/zinc/82/51/90/854825190.db2.gz PRSBLMXHMFUHGM-IIDMSEBBSA-N 2 2 387.524 3.779 20 0 GHADLP Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCC2 ZINC000765792187 854825192 /nfs/dbraw/zinc/82/51/92/854825192.db2.gz PRSBLMXHMFUHGM-IIDMSEBBSA-N 2 2 387.524 3.779 20 0 GHADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000482035620 862629807 /nfs/dbraw/zinc/62/98/07/862629807.db2.gz AYWQWDQXCKYPQK-ZWKOTPCHSA-N 2 2 386.367 3.977 20 0 GHADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000482035620 862629817 /nfs/dbraw/zinc/62/98/17/862629817.db2.gz AYWQWDQXCKYPQK-ZWKOTPCHSA-N 2 2 386.367 3.977 20 0 GHADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000482035616 862629867 /nfs/dbraw/zinc/62/98/67/862629867.db2.gz AYWQWDQXCKYPQK-QZTJIDSGSA-N 2 2 386.367 3.977 20 0 GHADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000482035616 862629873 /nfs/dbraw/zinc/62/98/73/862629873.db2.gz AYWQWDQXCKYPQK-QZTJIDSGSA-N 2 2 386.367 3.977 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000482017047 862632855 /nfs/dbraw/zinc/63/28/55/862632855.db2.gz PHKUMNNLGWPERT-OALUTQOASA-N 2 2 385.577 3.811 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000482017047 862632861 /nfs/dbraw/zinc/63/28/61/862632861.db2.gz PHKUMNNLGWPERT-OALUTQOASA-N 2 2 385.577 3.811 20 0 GHADLP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2)CC1 ZINC000590353895 855379349 /nfs/dbraw/zinc/37/93/49/855379349.db2.gz YENJULQZEXUQNC-OAQYLSRUSA-N 2 2 395.551 3.731 20 0 GHADLP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000441530897 855583925 /nfs/dbraw/zinc/58/39/25/855583925.db2.gz GZFLLGGWNIWGFS-YADHBBJMSA-N 2 2 378.564 3.985 20 0 GHADLP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000441530897 855583930 /nfs/dbraw/zinc/58/39/30/855583930.db2.gz GZFLLGGWNIWGFS-YADHBBJMSA-N 2 2 378.564 3.985 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895196 855709373 /nfs/dbraw/zinc/70/93/73/855709373.db2.gz HIBWHNDJHUBZDG-UHFFFAOYSA-N 2 2 391.519 3.712 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895196 855709378 /nfs/dbraw/zinc/70/93/78/855709378.db2.gz HIBWHNDJHUBZDG-UHFFFAOYSA-N 2 2 391.519 3.712 20 0 GHADLP C[C@H](c1cccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c1)[NH+]1CCOCC1 ZINC000591251304 855825438 /nfs/dbraw/zinc/82/54/38/855825438.db2.gz TUPZEQPDFJVSQV-LJQANCHMSA-N 2 2 393.531 3.928 20 0 GHADLP CC(C)[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)c1ccccc1 ZINC000428836743 856044900 /nfs/dbraw/zinc/04/49/00/856044900.db2.gz FVYJNSFFLGJWEW-FQEVSTJZSA-N 2 2 395.547 3.929 20 0 GHADLP CC(C)[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)c1ccccc1 ZINC000428836743 856044905 /nfs/dbraw/zinc/04/49/05/856044905.db2.gz FVYJNSFFLGJWEW-FQEVSTJZSA-N 2 2 395.547 3.929 20 0 GHADLP O=C1[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)CCCN1c1ccccc1Cl ZINC000303895126 856195185 /nfs/dbraw/zinc/19/51/85/856195185.db2.gz KQTKJCPJBQGWRL-HXUWFJFHSA-N 2 2 375.944 3.643 20 0 GHADLP [NH3+][C@H]1CC[C@H](N(Cc2ccc(C(=O)N3CCCC3)cc2)c2cccc[nH+]2)CC1 ZINC000895116848 856227249 /nfs/dbraw/zinc/22/72/49/856227249.db2.gz VDSTUHGVRAAHFM-MEMLXQNLSA-N 2 2 378.520 3.594 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N[C@H]3CCCC[C@@H]3C)C2)s1 ZINC000573486861 856251075 /nfs/dbraw/zinc/25/10/75/856251075.db2.gz UNRPQDCQGDQORA-HQRMLTQVSA-N 2 2 377.598 3.505 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N[C@H]3CCCC[C@@H]3C)C2)s1 ZINC000573486861 856251087 /nfs/dbraw/zinc/25/10/87/856251087.db2.gz UNRPQDCQGDQORA-HQRMLTQVSA-N 2 2 377.598 3.505 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@H]3CCCC[C@@H]3C)C2)s1 ZINC000573486861 856251101 /nfs/dbraw/zinc/25/11/01/856251101.db2.gz UNRPQDCQGDQORA-HQRMLTQVSA-N 2 2 377.598 3.505 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@H]3CCCC[C@@H]3C)C2)s1 ZINC000573486861 856251113 /nfs/dbraw/zinc/25/11/13/856251113.db2.gz UNRPQDCQGDQORA-HQRMLTQVSA-N 2 2 377.598 3.505 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000507897136 856646653 /nfs/dbraw/zinc/64/66/53/856646653.db2.gz UJPYBDIHZZTZCZ-REWPJTCUSA-N 2 2 388.515 3.999 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000507897136 856646657 /nfs/dbraw/zinc/64/66/57/856646657.db2.gz UJPYBDIHZZTZCZ-REWPJTCUSA-N 2 2 388.515 3.999 20 0 GHADLP CC(C)[C@H](C[NH2+]Cc1ccc(-n2cncn2)c(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000045822343 856772887 /nfs/dbraw/zinc/77/28/87/856772887.db2.gz UUIYLYCNASCUIP-QHCPKHFHSA-N 2 2 393.510 3.579 20 0 GHADLP CC(C)[C@H](C[NH2+]Cc1ccc(-n2cncn2)c(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000045822343 856772892 /nfs/dbraw/zinc/77/28/92/856772892.db2.gz UUIYLYCNASCUIP-QHCPKHFHSA-N 2 2 393.510 3.579 20 0 GHADLP COCCC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000427853135 856796765 /nfs/dbraw/zinc/79/67/65/856796765.db2.gz NRVKYEWHLCWGPE-DLBZAZTESA-N 2 2 378.314 3.718 20 0 GHADLP COCCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000427853143 856797069 /nfs/dbraw/zinc/79/70/69/856797069.db2.gz NRVKYEWHLCWGPE-IRXDYDNUSA-N 2 2 378.314 3.718 20 0 GHADLP COc1ccc(C[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccc(OC)cc2)cc1 ZINC000427863466 856821351 /nfs/dbraw/zinc/82/13/51/856821351.db2.gz BKYAFKFNBWUZEP-SIKLNZKXSA-N 2 2 377.488 3.789 20 0 GHADLP COc1ccc(C[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccc(OC)cc2)cc1 ZINC000427863464 856822031 /nfs/dbraw/zinc/82/20/31/856822031.db2.gz BKYAFKFNBWUZEP-KNQAVFIVSA-N 2 2 377.488 3.789 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665252761 857007214 /nfs/dbraw/zinc/00/72/14/857007214.db2.gz YGSXXQMVWMFDMA-WSXQUGQNSA-N 2 2 391.437 3.556 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1Br ZINC000181414697 862867397 /nfs/dbraw/zinc/86/73/97/862867397.db2.gz PCTHBZOGTGOCSD-JVPBZIDWSA-N 2 2 381.358 3.868 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000665254852 857073721 /nfs/dbraw/zinc/07/37/21/857073721.db2.gz AEVDKNUAUUVEIY-RTFZILSDSA-N 2 2 395.547 3.583 20 0 GHADLP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000057847292 857243445 /nfs/dbraw/zinc/24/34/45/857243445.db2.gz ZYZNXHHAPLCRNV-CQSZACIVSA-N 2 2 376.570 3.716 20 0 GHADLP O[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000766128065 857342085 /nfs/dbraw/zinc/34/20/85/857342085.db2.gz IMVGNHHTDQDWCT-CDNPAEQRSA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000766128065 857342088 /nfs/dbraw/zinc/34/20/88/857342088.db2.gz IMVGNHHTDQDWCT-CDNPAEQRSA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000766128065 857342091 /nfs/dbraw/zinc/34/20/91/857342091.db2.gz IMVGNHHTDQDWCT-CDNPAEQRSA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000766128065 857342094 /nfs/dbraw/zinc/34/20/94/857342094.db2.gz IMVGNHHTDQDWCT-CDNPAEQRSA-N 2 2 386.486 3.985 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000593292493 857455333 /nfs/dbraw/zinc/45/53/33/857455333.db2.gz AGOFDPGBRGPIBQ-UNMCSNQZSA-N 2 2 396.535 3.673 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000593292493 857455339 /nfs/dbraw/zinc/45/53/39/857455339.db2.gz AGOFDPGBRGPIBQ-UNMCSNQZSA-N 2 2 396.535 3.673 20 0 GHADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccc2ccccc21 ZINC000675499578 857476302 /nfs/dbraw/zinc/47/63/02/857476302.db2.gz MJCZMEZBUVJWRH-RTBURBONSA-N 2 2 388.515 3.623 20 0 GHADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000063466418 857620519 /nfs/dbraw/zinc/62/05/19/857620519.db2.gz HLGVQVKGXWIBTE-UHFFFAOYSA-N 2 2 389.540 3.539 20 0 GHADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000063466418 857620524 /nfs/dbraw/zinc/62/05/24/857620524.db2.gz HLGVQVKGXWIBTE-UHFFFAOYSA-N 2 2 389.540 3.539 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(CC[NH+](C)C)C2CCCC2)c(C)c1 ZINC000442239934 857644184 /nfs/dbraw/zinc/64/41/84/857644184.db2.gz VHBMYHVMQFUJIY-QFIPXVFZSA-N 2 2 397.567 3.757 20 0 GHADLP CCCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1F ZINC000063755102 857653614 /nfs/dbraw/zinc/65/36/14/857653614.db2.gz GAFIHEVTRLDCNY-UHFFFAOYSA-N 2 2 398.526 3.562 20 0 GHADLP CCCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1F ZINC000063755102 857653620 /nfs/dbraw/zinc/65/36/20/857653620.db2.gz GAFIHEVTRLDCNY-UHFFFAOYSA-N 2 2 398.526 3.562 20 0 GHADLP COc1cc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc2ccccc21 ZINC001168370896 857654213 /nfs/dbraw/zinc/65/42/13/857654213.db2.gz IJTBSWZCJIATSH-INIZCTEOSA-N 2 2 381.520 3.639 20 0 GHADLP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000574340034 857680015 /nfs/dbraw/zinc/68/00/15/857680015.db2.gz RKAOZGBDKIGGES-QQSJCBEGSA-N 2 2 380.479 3.878 20 0 GHADLP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000574340034 857680019 /nfs/dbraw/zinc/68/00/19/857680019.db2.gz RKAOZGBDKIGGES-QQSJCBEGSA-N 2 2 380.479 3.878 20 0 GHADLP CN(C(=O)c1cc2cc(Cl)ccc2s1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668616925 857756210 /nfs/dbraw/zinc/75/62/10/857756210.db2.gz HOAYWDWVTYZITI-QGZVFWFLSA-N 2 2 391.968 3.795 20 0 GHADLP CN(C(=O)c1cc2cc(Cl)ccc2s1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668616925 857756217 /nfs/dbraw/zinc/75/62/17/857756217.db2.gz HOAYWDWVTYZITI-QGZVFWFLSA-N 2 2 391.968 3.795 20 0 GHADLP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000574424900 857809748 /nfs/dbraw/zinc/80/97/48/857809748.db2.gz JPRJIBXOIJRMKL-SFHVURJKSA-N 2 2 381.524 3.740 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000066053657 857901579 /nfs/dbraw/zinc/90/15/79/857901579.db2.gz FAUIWUFXTGFYJN-UHFFFAOYSA-N 2 2 378.451 3.537 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccccc1Cl ZINC000672968242 857954350 /nfs/dbraw/zinc/95/43/50/857954350.db2.gz ALUUMKNIFWPJIW-IRXDYDNUSA-N 2 2 394.972 3.606 20 0 GHADLP CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000543060263 858135390 /nfs/dbraw/zinc/13/53/90/858135390.db2.gz DSLHCGZUWQRWNK-LJQANCHMSA-N 2 2 382.552 3.815 20 0 GHADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060172 858135743 /nfs/dbraw/zinc/13/57/43/858135743.db2.gz ZURYADSKRZVQHZ-WAMYUVKHSA-N 2 2 398.595 3.849 20 0 GHADLP C[N@H+](CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442799077 858141310 /nfs/dbraw/zinc/14/13/10/858141310.db2.gz YQDHVARTFPFJRC-JIRNRHONSA-N 2 2 375.532 3.634 20 0 GHADLP C[N@@H+](CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442799077 858141314 /nfs/dbraw/zinc/14/13/14/858141314.db2.gz YQDHVARTFPFJRC-JIRNRHONSA-N 2 2 375.532 3.634 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC[C@@H]21 ZINC000428265334 858240331 /nfs/dbraw/zinc/24/03/31/858240331.db2.gz HVSZCHKCHCUADC-ICSRJNTNSA-N 2 2 392.469 3.866 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC[C@@H]21 ZINC000428265334 858240336 /nfs/dbraw/zinc/24/03/36/858240336.db2.gz HVSZCHKCHCUADC-ICSRJNTNSA-N 2 2 392.469 3.866 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC[C@@H]21 ZINC000428265334 858240340 /nfs/dbraw/zinc/24/03/40/858240340.db2.gz HVSZCHKCHCUADC-ICSRJNTNSA-N 2 2 392.469 3.866 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC[C@@H]21 ZINC000428265334 858240345 /nfs/dbraw/zinc/24/03/45/858240345.db2.gz HVSZCHKCHCUADC-ICSRJNTNSA-N 2 2 392.469 3.866 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000443006188 858306011 /nfs/dbraw/zinc/30/60/11/858306011.db2.gz YFNVWFGDYJETCE-UHFFFAOYSA-N 2 2 392.469 3.973 20 0 GHADLP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543097276 858342020 /nfs/dbraw/zinc/34/20/20/858342020.db2.gz UVXXOYPJFAZNAB-UHFFFAOYSA-N 2 2 380.536 3.812 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[NH+](C(C)(C)C)CC3)n2)C1 ZINC000521823502 858356667 /nfs/dbraw/zinc/35/66/67/858356667.db2.gz YOEZOBWNNGAVGX-MRXNPFEDSA-N 2 2 393.601 3.713 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[NH+](C(C)(C)C)CC3)n2)C1 ZINC000521823502 858356677 /nfs/dbraw/zinc/35/66/77/858356677.db2.gz YOEZOBWNNGAVGX-MRXNPFEDSA-N 2 2 393.601 3.713 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CCC[N@@H+](C(C)(C)C)CC3)n2)C1 ZINC000521823502 858356689 /nfs/dbraw/zinc/35/66/89/858356689.db2.gz YOEZOBWNNGAVGX-MRXNPFEDSA-N 2 2 393.601 3.713 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CCC[N@H+](C(C)(C)C)CC3)n2)C1 ZINC000521823502 858356702 /nfs/dbraw/zinc/35/67/02/858356702.db2.gz YOEZOBWNNGAVGX-MRXNPFEDSA-N 2 2 393.601 3.713 20 0 GHADLP Clc1ccc([C@H](Cc2cccnc2)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000574910881 858391986 /nfs/dbraw/zinc/39/19/86/858391986.db2.gz WBMLHEQQOOJZNL-NRFANRHFSA-N 2 2 393.922 3.936 20 0 GHADLP COC(=O)CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(F)c(F)c1 ZINC000544350448 858483911 /nfs/dbraw/zinc/48/39/11/858483911.db2.gz CDDCLRQUEIUMJZ-UHFFFAOYSA-N 2 2 391.443 3.777 20 0 GHADLP COC(=O)CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(F)c(F)c1 ZINC000544350448 858483915 /nfs/dbraw/zinc/48/39/15/858483915.db2.gz CDDCLRQUEIUMJZ-UHFFFAOYSA-N 2 2 391.443 3.777 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCOc3c(F)cccc32)CC1 ZINC000191123364 858527456 /nfs/dbraw/zinc/52/74/56/858527456.db2.gz ATOAGMDIJMYEFL-IBGZPJMESA-N 2 2 389.902 3.844 20 0 GHADLP O[C@@H](COc1cccc2ccccc21)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000761117584 858556728 /nfs/dbraw/zinc/55/67/28/858556728.db2.gz JFVPELZQAHXMKB-HXUWFJFHSA-N 2 2 377.488 3.551 20 0 GHADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)C1 ZINC000522147573 858670085 /nfs/dbraw/zinc/67/00/85/858670085.db2.gz QEFUXZXUBUQVTO-DENIHFKCSA-N 2 2 397.950 3.525 20 0 GHADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)C1 ZINC000522147573 858670091 /nfs/dbraw/zinc/67/00/91/858670091.db2.gz QEFUXZXUBUQVTO-DENIHFKCSA-N 2 2 397.950 3.525 20 0 GHADLP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000482648085 858721961 /nfs/dbraw/zinc/72/19/61/858721961.db2.gz QFFQOAMPHOTXCO-XXBNENTESA-N 2 2 395.547 3.564 20 0 GHADLP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000482648085 858721971 /nfs/dbraw/zinc/72/19/71/858721971.db2.gz QFFQOAMPHOTXCO-XXBNENTESA-N 2 2 395.547 3.564 20 0 GHADLP Cc1ccc(F)cc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183668312 858790488 /nfs/dbraw/zinc/79/04/88/858790488.db2.gz ZQHQIFSXNWHMJK-SFTDATJTSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1ccc(F)cc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183668312 858790492 /nfs/dbraw/zinc/79/04/92/858790492.db2.gz ZQHQIFSXNWHMJK-SFTDATJTSA-N 2 2 375.532 3.543 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000522190086 858790936 /nfs/dbraw/zinc/79/09/36/858790936.db2.gz HCVGJCXPCFPDJV-SJORKVTESA-N 2 2 398.378 3.581 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000522190086 858790943 /nfs/dbraw/zinc/79/09/43/858790943.db2.gz HCVGJCXPCFPDJV-SJORKVTESA-N 2 2 398.378 3.581 20 0 GHADLP CN(C(=O)C1(Cc2ccccc2)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183669419 858791453 /nfs/dbraw/zinc/79/14/53/858791453.db2.gz ALEXXWGLVSPJES-PKTZIBPZSA-N 2 2 397.607 3.805 20 0 GHADLP CN(C(=O)C1(Cc2ccccc2)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183669419 858791461 /nfs/dbraw/zinc/79/14/61/858791461.db2.gz ALEXXWGLVSPJES-PKTZIBPZSA-N 2 2 397.607 3.805 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC1CCC(c2ccccc2)CC1 ZINC000522192237 858792730 /nfs/dbraw/zinc/79/27/30/858792730.db2.gz CNPWHQVFLIERNR-UHFFFAOYSA-N 2 2 385.596 3.835 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC1CCC(c2ccccc2)CC1 ZINC000522192237 858792738 /nfs/dbraw/zinc/79/27/38/858792738.db2.gz CNPWHQVFLIERNR-UHFFFAOYSA-N 2 2 385.596 3.835 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cnn1-c1cc(C)ccc1C ZINC000482741769 858812801 /nfs/dbraw/zinc/81/28/01/858812801.db2.gz QAYGVADQCJHBJM-CTNGQTDRSA-N 2 2 384.568 3.541 20 0 GHADLP COc1cc(OC)cc(C2(F)CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)c1 ZINC000668111379 858813566 /nfs/dbraw/zinc/81/35/66/858813566.db2.gz JCVWMVALHSHEQE-UHFFFAOYSA-N 2 2 396.466 3.745 20 0 GHADLP COCCC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000157686147 858930368 /nfs/dbraw/zinc/93/03/68/858930368.db2.gz YBXBTRJTPZXUHI-OALUTQOASA-N 2 2 381.358 3.991 20 0 GHADLP COCCC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000157686147 858930379 /nfs/dbraw/zinc/93/03/79/858930379.db2.gz YBXBTRJTPZXUHI-OALUTQOASA-N 2 2 381.358 3.991 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000543603146 858943129 /nfs/dbraw/zinc/94/31/29/858943129.db2.gz YSHFCYKCKLKBSE-SFTDATJTSA-N 2 2 378.582 3.546 20 0 GHADLP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Br)cc(Br)c1)CC2 ZINC001137845524 859088774 /nfs/dbraw/zinc/08/87/74/859088774.db2.gz LUWVCLKDOIVFDD-UHFFFAOYSA-N 2 2 388.147 3.739 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168026012 859274532 /nfs/dbraw/zinc/27/45/32/859274532.db2.gz KZAGPLJCMXLEPY-VTYHHJSWSA-N 4 2 388.644 3.903 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168026012 859274542 /nfs/dbraw/zinc/27/45/42/859274542.db2.gz KZAGPLJCMXLEPY-VTYHHJSWSA-N 4 2 388.644 3.903 20 0 GHADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000429416848 859313439 /nfs/dbraw/zinc/31/34/39/859313439.db2.gz LZWVYHISKQNCLX-HNAYVOBHSA-N 2 2 399.000 3.876 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000764279087 859347319 /nfs/dbraw/zinc/34/73/19/859347319.db2.gz JOLNEUZRUBEKGU-JOCHJYFZSA-N 2 2 392.547 3.734 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000764279087 859347330 /nfs/dbraw/zinc/34/73/30/859347330.db2.gz JOLNEUZRUBEKGU-JOCHJYFZSA-N 2 2 392.547 3.734 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](CC(C)(C)C)c3ccc(F)cc3)CC[C@@H]21 ZINC000483501320 859414050 /nfs/dbraw/zinc/41/40/50/859414050.db2.gz IWGSZLOWDUVOQO-GIVPXCGWSA-N 2 2 389.559 3.835 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](CC(C)(C)C)c3ccc(F)cc3)CC[C@@H]21 ZINC000483501320 859414056 /nfs/dbraw/zinc/41/40/56/859414056.db2.gz IWGSZLOWDUVOQO-GIVPXCGWSA-N 2 2 389.559 3.835 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](CC(C)(C)C)c3ccc(F)cc3)CC[C@@H]21 ZINC000483501320 859414064 /nfs/dbraw/zinc/41/40/64/859414064.db2.gz IWGSZLOWDUVOQO-GIVPXCGWSA-N 2 2 389.559 3.835 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](CC(C)(C)C)c3ccc(F)cc3)CC[C@@H]21 ZINC000483501320 859414070 /nfs/dbraw/zinc/41/40/70/859414070.db2.gz IWGSZLOWDUVOQO-GIVPXCGWSA-N 2 2 389.559 3.835 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000532203166 881418891 /nfs/dbraw/zinc/41/88/91/881418891.db2.gz KBWLYENWCFMNQK-GJZGRUSLSA-N 2 2 387.446 3.624 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000532203166 881418957 /nfs/dbraw/zinc/41/89/57/881418957.db2.gz KBWLYENWCFMNQK-GJZGRUSLSA-N 2 2 387.446 3.624 20 0 GHADLP O=[S@](CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483511944 859425950 /nfs/dbraw/zinc/42/59/50/859425950.db2.gz KLDOBBZQMYSNAD-MRCUYLHHSA-N 2 2 382.573 3.781 20 0 GHADLP O=[S@](CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483511944 859425953 /nfs/dbraw/zinc/42/59/53/859425953.db2.gz KLDOBBZQMYSNAD-MRCUYLHHSA-N 2 2 382.573 3.781 20 0 GHADLP O=[S@](CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483511944 859425960 /nfs/dbraw/zinc/42/59/60/859425960.db2.gz KLDOBBZQMYSNAD-MRCUYLHHSA-N 2 2 382.573 3.781 20 0 GHADLP O=[S@](CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483511944 859425963 /nfs/dbraw/zinc/42/59/63/859425963.db2.gz KLDOBBZQMYSNAD-MRCUYLHHSA-N 2 2 382.573 3.781 20 0 GHADLP Cc1cc(C)n2c(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)cnc2n1 ZINC000509445078 859459561 /nfs/dbraw/zinc/45/95/61/859459561.db2.gz AYRSSJOYLCVFSP-OAQYLSRUSA-N 2 2 377.536 3.736 20 0 GHADLP Cc1cc(C)n2c(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)cnc2n1 ZINC000509445078 859459563 /nfs/dbraw/zinc/45/95/63/859459563.db2.gz AYRSSJOYLCVFSP-OAQYLSRUSA-N 2 2 377.536 3.736 20 0 GHADLP COc1ccc2c(c1Cl)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCC2 ZINC000903098669 859469424 /nfs/dbraw/zinc/46/94/24/859469424.db2.gz SEJBBNLXSIBRHX-CRAIPNDOSA-N 2 2 378.944 3.817 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000114172956 859469989 /nfs/dbraw/zinc/46/99/89/859469989.db2.gz ABWYUQDUUGAEET-UHFFFAOYSA-N 2 2 392.478 3.714 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000114277800 859522209 /nfs/dbraw/zinc/52/22/09/859522209.db2.gz PMQZLSAGCRBTGW-UHFFFAOYSA-N 2 2 388.515 3.917 20 0 GHADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000626087827 859530264 /nfs/dbraw/zinc/53/02/64/859530264.db2.gz CNCPXNJGILMLPT-UHFFFAOYSA-N 2 2 395.547 3.737 20 0 GHADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000626088764 859531446 /nfs/dbraw/zinc/53/14/46/859531446.db2.gz MEUNFHKPXDBPIS-UHFFFAOYSA-N 2 2 382.552 3.566 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(Cn4cccn4)cc3)CC2)cc1 ZINC000764743500 859587944 /nfs/dbraw/zinc/58/79/44/859587944.db2.gz DSVVYMFQXVDTAJ-UHFFFAOYSA-N 2 2 389.547 3.756 20 0 GHADLP Fc1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2cccnc2)cc1 ZINC000543408641 859620358 /nfs/dbraw/zinc/62/03/58/859620358.db2.gz OZSPKNLLPUNPOV-DEOSSOPVSA-N 2 2 391.490 3.932 20 0 GHADLP C[S@](=O)CC[NH+]1CCN(c2cc[nH+]c3ccc(Oc4ccccc4)cc32)CC1 ZINC000764838741 859636434 /nfs/dbraw/zinc/63/64/34/859636434.db2.gz KOXAUDMSVLXNSL-NDEPHWFRSA-N 2 2 395.528 3.528 20 0 GHADLP Brc1ccc(-c2ccn(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000765012530 859727209 /nfs/dbraw/zinc/72/72/09/859727209.db2.gz MDRPIUJIPPTVEZ-KRWDZBQOSA-N 2 2 386.297 3.804 20 0 GHADLP Brc1ccc(-c2ccn(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000765012530 859727214 /nfs/dbraw/zinc/72/72/14/859727214.db2.gz MDRPIUJIPPTVEZ-KRWDZBQOSA-N 2 2 386.297 3.804 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000484017448 859767491 /nfs/dbraw/zinc/76/74/91/859767491.db2.gz WBAHWVKJCNSVCI-QRWLVFNGSA-N 2 2 377.891 3.753 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000484017448 859767496 /nfs/dbraw/zinc/76/74/96/859767496.db2.gz WBAHWVKJCNSVCI-QRWLVFNGSA-N 2 2 377.891 3.753 20 0 GHADLP Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)nc1 ZINC000484065500 859795667 /nfs/dbraw/zinc/79/56/67/859795667.db2.gz DYFFQMKZAYPOKW-HXUWFJFHSA-N 2 2 389.503 3.735 20 0 GHADLP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)nc1 ZINC000484065500 859795675 /nfs/dbraw/zinc/79/56/75/859795675.db2.gz DYFFQMKZAYPOKW-HXUWFJFHSA-N 2 2 389.503 3.735 20 0 GHADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CCCO2 ZINC000484128281 859818519 /nfs/dbraw/zinc/81/85/19/859818519.db2.gz JOHUGQMUSUCWAU-UPVQGACJSA-N 2 2 380.532 3.744 20 0 GHADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CCCO2 ZINC000484128281 859818525 /nfs/dbraw/zinc/81/85/25/859818525.db2.gz JOHUGQMUSUCWAU-UPVQGACJSA-N 2 2 380.532 3.744 20 0 GHADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000484130073 859819713 /nfs/dbraw/zinc/81/97/13/859819713.db2.gz PGFRQNWTEFCUMD-UGKGYDQZSA-N 2 2 390.474 3.966 20 0 GHADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000484130073 859819724 /nfs/dbraw/zinc/81/97/24/859819724.db2.gz PGFRQNWTEFCUMD-UGKGYDQZSA-N 2 2 390.474 3.966 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1OC(F)(F)F ZINC000484155020 859850805 /nfs/dbraw/zinc/85/08/05/859850805.db2.gz DNAIXSLFLUCUHE-OXQOHEQNSA-N 2 2 394.437 3.873 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OC(F)(F)F ZINC000484155020 859850819 /nfs/dbraw/zinc/85/08/19/859850819.db2.gz DNAIXSLFLUCUHE-OXQOHEQNSA-N 2 2 394.437 3.873 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1cccs1 ZINC000474338457 859867387 /nfs/dbraw/zinc/86/73/87/859867387.db2.gz RWDYXXHFMKGMCA-RBUKOAKNSA-N 2 2 389.540 3.661 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1cccs1 ZINC000474338457 859867394 /nfs/dbraw/zinc/86/73/94/859867394.db2.gz RWDYXXHFMKGMCA-RBUKOAKNSA-N 2 2 389.540 3.661 20 0 GHADLP CCc1cccc(Cl)c1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000474364334 859934036 /nfs/dbraw/zinc/93/40/36/859934036.db2.gz WEQTVMIHZMNYEZ-UHFFFAOYSA-N 2 2 388.939 3.903 20 0 GHADLP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000474428543 860085906 /nfs/dbraw/zinc/08/59/06/860085906.db2.gz UVQFUGJEMIDURS-QGZVFWFLSA-N 2 2 384.351 3.953 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000727465529 860104011 /nfs/dbraw/zinc/10/40/11/860104011.db2.gz AKOPFOZASSNCKI-UHFFFAOYSA-N 2 2 388.556 3.677 20 0 GHADLP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000474546041 860332489 /nfs/dbraw/zinc/33/24/89/860332489.db2.gz VBXCICLCOWNCMX-JOCHJYFZSA-N 2 2 399.510 3.759 20 0 GHADLP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000474546041 860332497 /nfs/dbraw/zinc/33/24/97/860332497.db2.gz VBXCICLCOWNCMX-JOCHJYFZSA-N 2 2 399.510 3.759 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168037041 860362985 /nfs/dbraw/zinc/36/29/85/860362985.db2.gz YMLADKDNZLTKIB-ALXJQNPVSA-N 2 2 380.458 3.977 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168037041 860362993 /nfs/dbraw/zinc/36/29/93/860362993.db2.gz YMLADKDNZLTKIB-ALXJQNPVSA-N 2 2 380.458 3.977 20 0 GHADLP CCCc1nc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cs1 ZINC000856599749 881575388 /nfs/dbraw/zinc/57/53/88/881575388.db2.gz RZXDFIVAQIABGK-FQEVSTJZSA-N 2 2 388.581 3.984 20 0 GHADLP CCCc1nc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cs1 ZINC000856599749 881575395 /nfs/dbraw/zinc/57/53/95/881575395.db2.gz RZXDFIVAQIABGK-FQEVSTJZSA-N 2 2 388.581 3.984 20 0 GHADLP CCCc1nc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cs1 ZINC000856599749 881575400 /nfs/dbraw/zinc/57/54/00/881575400.db2.gz RZXDFIVAQIABGK-FQEVSTJZSA-N 2 2 388.581 3.984 20 0 GHADLP CCCc1nc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cs1 ZINC000856599749 881575409 /nfs/dbraw/zinc/57/54/09/881575409.db2.gz RZXDFIVAQIABGK-FQEVSTJZSA-N 2 2 388.581 3.984 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)Cc1ccccc1 ZINC000474775376 860777425 /nfs/dbraw/zinc/77/74/25/860777425.db2.gz MVJDETWDBCZEMU-UXHICEINSA-N 2 2 396.579 3.707 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)Cc1ccccc1 ZINC000474775376 860777428 /nfs/dbraw/zinc/77/74/28/860777428.db2.gz MVJDETWDBCZEMU-UXHICEINSA-N 2 2 396.579 3.707 20 0 GHADLP Cc1cccn2cc(CC(=O)NCC3([NH2+][C@@H](C)c4ccccc4)CCCC3)[nH+]c12 ZINC000599100653 860796165 /nfs/dbraw/zinc/79/61/65/860796165.db2.gz LYPDUCKIDXTTFA-IBGZPJMESA-N 2 2 390.531 3.965 20 0 GHADLP C[C@@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600092894 860978788 /nfs/dbraw/zinc/97/87/88/860978788.db2.gz PTDPUAVNMFBBCU-SFHVURJKSA-N 2 2 389.503 3.549 20 0 GHADLP CCOC(=O)c1cccc(C[N@H+](CC)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000600119910 861033130 /nfs/dbraw/zinc/03/31/30/861033130.db2.gz FITMWPXZLBVKAY-FQEVSTJZSA-N 2 2 381.520 3.602 20 0 GHADLP CCOC(=O)c1cccc(C[N@@H+](CC)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000600119910 861033144 /nfs/dbraw/zinc/03/31/44/861033144.db2.gz FITMWPXZLBVKAY-FQEVSTJZSA-N 2 2 381.520 3.602 20 0 GHADLP CCOC(=O)c1cccc(C[NH+](CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000600119910 861033161 /nfs/dbraw/zinc/03/31/61/861033161.db2.gz FITMWPXZLBVKAY-FQEVSTJZSA-N 2 2 381.520 3.602 20 0 GHADLP CCOC(=O)c1cccc(C[NH+](CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000600119910 861033170 /nfs/dbraw/zinc/03/31/70/861033170.db2.gz FITMWPXZLBVKAY-FQEVSTJZSA-N 2 2 381.520 3.602 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000179297502 861144170 /nfs/dbraw/zinc/14/41/70/861144170.db2.gz VCZIRNLDPZBQFS-AWEZNQCLSA-N 2 2 388.313 3.566 20 0 GHADLP CCc1ccc(-c2nc(CN(C)CC[N@H+](C)C3CC[NH+](C)CC3)cs2)cc1 ZINC000177375346 861186155 /nfs/dbraw/zinc/18/61/55/861186155.db2.gz CNUQXUVMVDTJHY-UHFFFAOYSA-N 2 2 386.609 3.830 20 0 GHADLP CCc1ccc(-c2nc(CN(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cs2)cc1 ZINC000177375346 861186159 /nfs/dbraw/zinc/18/61/59/861186159.db2.gz CNUQXUVMVDTJHY-UHFFFAOYSA-N 2 2 386.609 3.830 20 0 GHADLP Cc1cccn2cc(CC(=O)Nc3ccc(OCC[NH+]4CCCC4)c(C)c3)[nH+]c12 ZINC000605562443 863146548 /nfs/dbraw/zinc/14/65/48/863146548.db2.gz XDWUAUKVGUUOTO-UHFFFAOYSA-N 2 2 392.503 3.607 20 0 GHADLP COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000182623635 863304682 /nfs/dbraw/zinc/30/46/82/863304682.db2.gz GZBZEWGJGGQOOJ-NRFANRHFSA-N 2 2 383.517 4.000 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000172224669 863357870 /nfs/dbraw/zinc/35/78/70/863357870.db2.gz CQNCEQXNMVGGJU-CTNGQTDRSA-N 2 2 395.551 3.668 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000172224669 863357886 /nfs/dbraw/zinc/35/78/86/863357886.db2.gz CQNCEQXNMVGGJU-CTNGQTDRSA-N 2 2 395.551 3.668 20 0 GHADLP CC(C)c1ccc([C@@H](C)CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000606370603 863565941 /nfs/dbraw/zinc/56/59/41/863565941.db2.gz NJYNQTVRSJJEBA-WMZHIEFXSA-N 2 2 385.596 3.931 20 0 GHADLP CC(C)c1ccc([C@@H](C)CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000606370603 863565953 /nfs/dbraw/zinc/56/59/53/863565953.db2.gz NJYNQTVRSJJEBA-WMZHIEFXSA-N 2 2 385.596 3.931 20 0 GHADLP CCCOc1c(Br)cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000494410470 881687162 /nfs/dbraw/zinc/68/71/62/881687162.db2.gz KCSVCXKOHOHEGE-AWEZNQCLSA-N 2 2 394.313 3.548 20 0 GHADLP CC1CC[NH+](Cc2ccc(CNC(=O)Nc3ccc4[nH+]ccn4c3)cc2)CC1 ZINC000606582007 863730353 /nfs/dbraw/zinc/73/03/53/863730353.db2.gz ZRFYBXXMONOABL-UHFFFAOYSA-N 2 2 377.492 3.888 20 0 GHADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000158564242 863874494 /nfs/dbraw/zinc/87/44/94/863874494.db2.gz JAGAWQFUMKAHMJ-ZJOUEHCJSA-N 2 2 392.609 3.790 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(-c4scnc4C)cc3)CC2)c1 ZINC000667595733 863874643 /nfs/dbraw/zinc/87/46/43/863874643.db2.gz OHEWLKFZWTWPHC-UHFFFAOYSA-N 2 2 380.517 3.844 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000733996134 863909567 /nfs/dbraw/zinc/90/95/67/863909567.db2.gz PCTGUUASDFUEDQ-IBGZPJMESA-N 2 2 397.485 3.831 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000733996134 863909578 /nfs/dbraw/zinc/90/95/78/863909578.db2.gz PCTGUUASDFUEDQ-IBGZPJMESA-N 2 2 397.485 3.831 20 0 GHADLP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(Br)cn1 ZINC000621277502 864015546 /nfs/dbraw/zinc/01/55/46/864015546.db2.gz LZCFRKDSJHHYTN-KBPBESRZSA-N 2 2 382.346 3.595 20 0 GHADLP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(Br)cn1 ZINC000621277502 864015552 /nfs/dbraw/zinc/01/55/52/864015552.db2.gz LZCFRKDSJHHYTN-KBPBESRZSA-N 2 2 382.346 3.595 20 0 GHADLP CC[N@H+](Cc1cnn2c1CCC2)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000667628855 864134472 /nfs/dbraw/zinc/13/44/72/864134472.db2.gz SEWPDCSISAZKMF-UHFFFAOYSA-N 2 2 382.556 3.542 20 0 GHADLP CC[N@@H+](Cc1cnn2c1CCC2)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000667628855 864134482 /nfs/dbraw/zinc/13/44/82/864134482.db2.gz SEWPDCSISAZKMF-UHFFFAOYSA-N 2 2 382.556 3.542 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000475115383 864237859 /nfs/dbraw/zinc/23/78/59/864237859.db2.gz CEFSAFYZDAVZHH-RHSMWYFYSA-N 2 2 398.457 3.575 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000475115383 864237872 /nfs/dbraw/zinc/23/78/72/864237872.db2.gz CEFSAFYZDAVZHH-RHSMWYFYSA-N 2 2 398.457 3.575 20 0 GHADLP CC(=O)N1CC[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)c2ccccc21 ZINC000621752845 864400715 /nfs/dbraw/zinc/40/07/15/864400715.db2.gz CWSDQALHYPNMOS-HXUWFJFHSA-N 2 2 387.593 3.826 20 0 GHADLP CN(C(=O)c1ccc(Cl)c(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000159217224 864423409 /nfs/dbraw/zinc/42/34/09/864423409.db2.gz XTQNIQPQEIGUDY-UXHICEINSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1ccc(Cl)c(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000159217224 864423412 /nfs/dbraw/zinc/42/34/12/864423412.db2.gz XTQNIQPQEIGUDY-UXHICEINSA-N 2 2 395.950 3.888 20 0 GHADLP CC[N@@H+](Cc1ccc(O[C@H]2CCOC2)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000667659428 864474779 /nfs/dbraw/zinc/47/47/79/864474779.db2.gz HIPIMIFOJNPHAH-QHCPKHFHSA-N 2 2 395.547 3.988 20 0 GHADLP CC[N@H+](Cc1ccc(O[C@H]2CCOC2)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000667659428 864474790 /nfs/dbraw/zinc/47/47/90/864474790.db2.gz HIPIMIFOJNPHAH-QHCPKHFHSA-N 2 2 395.547 3.988 20 0 GHADLP C[C@]1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000163488447 864523049 /nfs/dbraw/zinc/52/30/49/864523049.db2.gz NJGZMHNZWVIGOF-XMMPIXPASA-N 2 2 388.515 3.716 20 0 GHADLP C[C@]1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000163488447 864523055 /nfs/dbraw/zinc/52/30/55/864523055.db2.gz NJGZMHNZWVIGOF-XMMPIXPASA-N 2 2 388.515 3.716 20 0 GHADLP C[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163721223 864558141 /nfs/dbraw/zinc/55/81/41/864558141.db2.gz FPAQKQTUQLQERI-AUSIDOKSSA-N 2 2 376.504 3.596 20 0 GHADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3cccc(-n4cc[nH+]c4)c3)ccc21 ZINC000455946108 864610555 /nfs/dbraw/zinc/61/05/55/864610555.db2.gz WRGBLPZSERFXCX-NRFANRHFSA-N 2 2 375.476 3.743 20 0 GHADLP CC(=O)N(c1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)cs1)c1ccccc1 ZINC000164938190 864642506 /nfs/dbraw/zinc/64/25/06/864642506.db2.gz GUHATRZXPXOLLZ-UHFFFAOYSA-N 2 2 386.565 3.991 20 0 GHADLP Cc1c(O)ccc2c(C[N@H+]3CCC[C@H](C[NH+]4CCC(C)CC4)C3)cc(=O)oc12 ZINC000735870487 865016158 /nfs/dbraw/zinc/01/61/58/865016158.db2.gz AJPVOBDLGTUSHA-GOSISDBHSA-N 2 2 384.520 3.751 20 0 GHADLP Cc1c(O)ccc2c(C[N@@H+]3CCC[C@H](C[NH+]4CCC(C)CC4)C3)cc(=O)oc12 ZINC000735870487 865016167 /nfs/dbraw/zinc/01/61/67/865016167.db2.gz AJPVOBDLGTUSHA-GOSISDBHSA-N 2 2 384.520 3.751 20 0 GHADLP CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000665625612 865021062 /nfs/dbraw/zinc/02/10/62/865021062.db2.gz IFYMGUXCOCBSBD-QZTJIDSGSA-N 2 2 390.572 3.538 20 0 GHADLP CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000665625612 865021070 /nfs/dbraw/zinc/02/10/70/865021070.db2.gz IFYMGUXCOCBSBD-QZTJIDSGSA-N 2 2 390.572 3.538 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000667735468 865139103 /nfs/dbraw/zinc/13/91/03/865139103.db2.gz UOIDNOFAFKGWNF-QZTJIDSGSA-N 2 2 376.863 3.505 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000667735468 865139109 /nfs/dbraw/zinc/13/91/09/865139109.db2.gz UOIDNOFAFKGWNF-QZTJIDSGSA-N 2 2 376.863 3.505 20 0 GHADLP Brc1cccc2c(NC3CC[NH+](C[C@@H]4CCOC4)CC3)cc[nH+]c12 ZINC000301295607 865268764 /nfs/dbraw/zinc/26/87/64/865268764.db2.gz XKUNDKQOKXLFSW-AWEZNQCLSA-N 2 2 390.325 3.910 20 0 GHADLP Cn1cc[nH+]c1C[C@H](NC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000608431399 865327600 /nfs/dbraw/zinc/32/76/00/865327600.db2.gz YZQHBOFLCLOUQC-NRFANRHFSA-N 2 2 397.567 3.659 20 0 GHADLP Cc1ccc(S(=O)(=O)c2ccc(C[NH+]3CCC(C[NH+](C)C)CC3)cc2)cc1 ZINC000481019581 865691803 /nfs/dbraw/zinc/69/18/03/865691803.db2.gz TUGDTINCZPLRGX-UHFFFAOYSA-N 2 2 386.561 3.601 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC4(CC3)OCc3ccccc34)C2)cc1 ZINC000671241672 865717995 /nfs/dbraw/zinc/71/79/95/865717995.db2.gz HXQZDJKQYHATAD-HSZRJFAPSA-N 2 2 392.543 3.799 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC4(CC3)OCc3ccccc34)C2)cc1 ZINC000671241672 865718000 /nfs/dbraw/zinc/71/80/00/865718000.db2.gz HXQZDJKQYHATAD-HSZRJFAPSA-N 2 2 392.543 3.799 20 0 GHADLP O[C@@H](C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1Cl)C[NH+]1CCCC1 ZINC000481035233 865724886 /nfs/dbraw/zinc/72/48/86/865724886.db2.gz JEWABBCDGFDVOI-GHTZIAJQSA-N 2 2 376.903 3.809 20 0 GHADLP CC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000173366641 865795935 /nfs/dbraw/zinc/79/59/35/865795935.db2.gz GLCMGYZFIVXDTQ-IBGZPJMESA-N 2 2 386.927 3.515 20 0 GHADLP COc1cc(Br)c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)c1 ZINC000494562528 881915915 /nfs/dbraw/zinc/91/59/15/881915915.db2.gz FZRBDQXFYMBIRX-UHFFFAOYSA-N 2 2 385.346 3.865 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000481165404 865903470 /nfs/dbraw/zinc/90/34/70/865903470.db2.gz BLWFOQSGHOJVSU-PWCQDKJGSA-N 2 2 385.596 3.816 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000481165404 865903482 /nfs/dbraw/zinc/90/34/82/865903482.db2.gz BLWFOQSGHOJVSU-PWCQDKJGSA-N 2 2 385.596 3.816 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1cc(F)ccc1F ZINC000481181936 865944481 /nfs/dbraw/zinc/94/44/81/865944481.db2.gz ADFCKYQJEJUHMY-TWOQFEAHSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1cc(F)ccc1F ZINC000481181936 865944494 /nfs/dbraw/zinc/94/44/94/865944494.db2.gz ADFCKYQJEJUHMY-TWOQFEAHSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000481187410 865954762 /nfs/dbraw/zinc/95/47/62/865954762.db2.gz JIUUBVNPWUFVNB-FDDCHVKYSA-N 2 2 377.532 3.614 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000481187410 865954773 /nfs/dbraw/zinc/95/47/73/865954773.db2.gz JIUUBVNPWUFVNB-FDDCHVKYSA-N 2 2 377.532 3.614 20 0 GHADLP CC1(C)C[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c2ccccc21 ZINC000481199254 865964304 /nfs/dbraw/zinc/96/43/04/865964304.db2.gz DIBIAIGGWYIZHT-QFIPXVFZSA-N 2 2 380.532 3.910 20 0 GHADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481194433 865981183 /nfs/dbraw/zinc/98/11/83/865981183.db2.gz VDYCNKFUDGWGHI-HOYKHHGWSA-N 2 2 398.522 3.950 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000481201549 865992942 /nfs/dbraw/zinc/99/29/42/865992942.db2.gz RMCXNWOLTWCSSN-DNVCBOLYSA-N 2 2 389.902 3.918 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000481201549 865992955 /nfs/dbraw/zinc/99/29/55/865992955.db2.gz RMCXNWOLTWCSSN-DNVCBOLYSA-N 2 2 389.902 3.918 20 0 GHADLP CC(C)[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C(C)(C)C)cc1 ZINC000671296458 866012244 /nfs/dbraw/zinc/01/22/44/866012244.db2.gz CXZMSHOYZNMNJB-PKTZIBPZSA-N 2 2 387.612 3.677 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C[C@@H]1C(F)(F)F ZINC001168528043 866032279 /nfs/dbraw/zinc/03/22/79/866032279.db2.gz KEVDLQRHPSHVET-IJEWVQPXSA-N 2 2 391.478 3.533 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C[C@@H]1C(F)(F)F ZINC001168528043 866032295 /nfs/dbraw/zinc/03/22/95/866032295.db2.gz KEVDLQRHPSHVET-IJEWVQPXSA-N 2 2 391.478 3.533 20 0 GHADLP C[NH+]1CCC(n2ncc3cc(-c4cc(F)cc(Cn5cc[nH+]c5)c4)cnc32)CC1 ZINC000623169042 866062298 /nfs/dbraw/zinc/06/22/98/866062298.db2.gz FJJGLLONTQPPJN-UHFFFAOYSA-N 2 2 390.466 3.749 20 0 GHADLP Cc1cccc(CC2(O)CC[NH+](Cc3nc4c(s3)C[N@H+](C(C)C)CC4)CC2)c1 ZINC000475516512 866161816 /nfs/dbraw/zinc/16/18/16/866161816.db2.gz LPZOFKIHNWQKRL-UHFFFAOYSA-N 2 2 399.604 3.788 20 0 GHADLP Cc1cccc(CC2(O)CC[NH+](Cc3nc4c(s3)C[N@@H+](C(C)C)CC4)CC2)c1 ZINC000475516512 866161819 /nfs/dbraw/zinc/16/18/19/866161819.db2.gz LPZOFKIHNWQKRL-UHFFFAOYSA-N 2 2 399.604 3.788 20 0 GHADLP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c(C)c[nH+]1 ZINC000534325604 866568733 /nfs/dbraw/zinc/56/87/33/866568733.db2.gz CKKQGGBHRGABGF-QGZVFWFLSA-N 2 2 392.425 3.535 20 0 GHADLP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c(C)c[nH+]1 ZINC000534325604 866568751 /nfs/dbraw/zinc/56/87/51/866568751.db2.gz CKKQGGBHRGABGF-QGZVFWFLSA-N 2 2 392.425 3.535 20 0 GHADLP COc1cc2c(cc1C[N@H+](C)C1CC[NH+](CCc3ccccn3)CC1)O[C@@H](C)C2 ZINC000534348557 866597302 /nfs/dbraw/zinc/59/73/02/866597302.db2.gz VCHNUXUUEQGOHN-SFHVURJKSA-N 2 2 395.547 3.553 20 0 GHADLP COc1cc2c(cc1C[N@@H+](C)C1CC[NH+](CCc3ccccn3)CC1)O[C@@H](C)C2 ZINC000534348557 866597315 /nfs/dbraw/zinc/59/73/15/866597315.db2.gz VCHNUXUUEQGOHN-SFHVURJKSA-N 2 2 395.547 3.553 20 0 GHADLP CN(C(=O)Cc1ccc2c(c1)CCC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359968 866644125 /nfs/dbraw/zinc/64/41/25/866644125.db2.gz KRWMPRDDSNSBEP-DNQXCXABSA-N 2 2 397.607 3.513 20 0 GHADLP CN(C(=O)Cc1ccc2c(c1)CCC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359968 866644131 /nfs/dbraw/zinc/64/41/31/866644131.db2.gz KRWMPRDDSNSBEP-DNQXCXABSA-N 2 2 397.607 3.513 20 0 GHADLP CN(C(=O)c1cccc(F)c1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359521 866645361 /nfs/dbraw/zinc/64/53/61/866645361.db2.gz KAUAHVAPVFYLDW-RBUKOAKNSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1cccc(F)c1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359521 866645368 /nfs/dbraw/zinc/64/53/68/866645368.db2.gz KAUAHVAPVFYLDW-RBUKOAKNSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1nccc2ccccc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360626 866647292 /nfs/dbraw/zinc/64/72/92/866647292.db2.gz ODZPGMCLEJPREK-FCHUYYIVSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1nccc2ccccc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360626 866647293 /nfs/dbraw/zinc/64/72/93/866647293.db2.gz ODZPGMCLEJPREK-FCHUYYIVSA-N 2 2 394.563 3.644 20 0 GHADLP CCCN(C(=O)NCCCCn1cc[nH+]c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000523202438 866855873 /nfs/dbraw/zinc/85/58/73/866855873.db2.gz OSPAPCPWGNOIRT-JOCHJYFZSA-N 2 2 397.567 3.750 20 0 GHADLP CCCN(C(=O)NCCCCn1cc[nH+]c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000523202438 866855892 /nfs/dbraw/zinc/85/58/92/866855892.db2.gz OSPAPCPWGNOIRT-JOCHJYFZSA-N 2 2 397.567 3.750 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@@H](C[NH+]3CCCCCC3)C1)C2 ZINC000475612966 867164249 /nfs/dbraw/zinc/16/42/49/867164249.db2.gz SAVAPENJFPXKIQ-RBUKOAKNSA-N 2 2 386.584 3.753 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H](C[NH+]3CCCCCC3)C1)CC2 ZINC000475612966 867164259 /nfs/dbraw/zinc/16/42/59/867164259.db2.gz SAVAPENJFPXKIQ-RBUKOAKNSA-N 2 2 386.584 3.753 20 0 GHADLP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CC2 ZINC000479189858 867339051 /nfs/dbraw/zinc/33/90/51/867339051.db2.gz GMROPDCXYWGWMV-NRFANRHFSA-N 2 2 386.923 3.828 20 0 GHADLP Cc1ccc([C@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C2CCCCC2)cc1 ZINC000479260020 867446360 /nfs/dbraw/zinc/44/63/60/867446360.db2.gz QRYRLNNZRKVWFW-XMMPIXPASA-N 2 2 387.612 3.596 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553555789 867651370 /nfs/dbraw/zinc/65/13/70/867651370.db2.gz PHQISUYJVLMYEM-STZQEDGTSA-N 2 2 388.515 3.568 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553555789 867651378 /nfs/dbraw/zinc/65/13/78/867651378.db2.gz PHQISUYJVLMYEM-STZQEDGTSA-N 2 2 388.515 3.568 20 0 GHADLP CC[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(OC)cc1 ZINC000155164616 867779037 /nfs/dbraw/zinc/77/90/37/867779037.db2.gz LHCUISJUWBWARG-QHCPKHFHSA-N 2 2 384.520 3.647 20 0 GHADLP CCCC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(=O)Nc1cc(C)on1 ZINC000523853487 868101282 /nfs/dbraw/zinc/10/12/82/868101282.db2.gz OXFQBAZLDRCECV-RXVVDRJESA-N 2 2 398.551 3.717 20 0 GHADLP CCC[N@H+](C)[C@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(Cl)cc1 ZINC000553897917 868413322 /nfs/dbraw/zinc/41/33/22/868413322.db2.gz YVBBRYQEMVAAQB-LJQANCHMSA-N 2 2 399.926 3.870 20 0 GHADLP CCC[N@@H+](C)[C@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(Cl)cc1 ZINC000553897917 868413327 /nfs/dbraw/zinc/41/33/27/868413327.db2.gz YVBBRYQEMVAAQB-LJQANCHMSA-N 2 2 399.926 3.870 20 0 GHADLP CCc1ccc([C@@H](C)CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460475870 882281941 /nfs/dbraw/zinc/28/19/41/882281941.db2.gz MESWFWPCZGVWJX-FQEVSTJZSA-N 2 2 385.596 3.809 20 0 GHADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000524610091 869341051 /nfs/dbraw/zinc/34/10/51/869341051.db2.gz RGSGNYIHEUNJOQ-FQEVSTJZSA-N 2 2 375.601 3.898 20 0 GHADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000524610091 869341065 /nfs/dbraw/zinc/34/10/65/869341065.db2.gz RGSGNYIHEUNJOQ-FQEVSTJZSA-N 2 2 375.601 3.898 20 0 GHADLP C[C@@H](CC1CCCCC1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000446265804 869651463 /nfs/dbraw/zinc/65/14/63/869651463.db2.gz RVZGEKFZVDVHGG-IBGZPJMESA-N 2 2 378.605 3.595 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000462782396 870060060 /nfs/dbraw/zinc/06/00/60/870060060.db2.gz BWVAJDHTWCXFKG-AWEZNQCLSA-N 2 2 388.430 3.653 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000247979658 870254213 /nfs/dbraw/zinc/25/42/13/870254213.db2.gz MDIXEQVBCDCLAQ-VOQZNFBZSA-N 2 2 386.971 3.838 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000247979658 870254232 /nfs/dbraw/zinc/25/42/32/870254232.db2.gz MDIXEQVBCDCLAQ-VOQZNFBZSA-N 2 2 386.971 3.838 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000248067374 870278547 /nfs/dbraw/zinc/27/85/47/870278547.db2.gz MHNGJEQYSGAJLE-WTIAFYNJSA-N 2 2 396.554 3.998 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000248067374 870278567 /nfs/dbraw/zinc/27/85/67/870278567.db2.gz MHNGJEQYSGAJLE-WTIAFYNJSA-N 2 2 396.554 3.998 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1Cl ZINC000248198486 870314825 /nfs/dbraw/zinc/31/48/25/870314825.db2.gz XVAGQFHBHYXBMD-XLPNERPQSA-N 2 2 398.378 3.975 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1Cl ZINC000248198486 870314840 /nfs/dbraw/zinc/31/48/40/870314840.db2.gz XVAGQFHBHYXBMD-XLPNERPQSA-N 2 2 398.378 3.975 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000248198486 870314857 /nfs/dbraw/zinc/31/48/57/870314857.db2.gz XVAGQFHBHYXBMD-XLPNERPQSA-N 2 2 398.378 3.975 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000248198486 870314875 /nfs/dbraw/zinc/31/48/75/870314875.db2.gz XVAGQFHBHYXBMD-XLPNERPQSA-N 2 2 398.378 3.975 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1Cl ZINC000248198487 870315514 /nfs/dbraw/zinc/31/55/14/870315514.db2.gz XVAGQFHBHYXBMD-XMDUPGNXSA-N 2 2 398.378 3.975 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1Cl ZINC000248198487 870315536 /nfs/dbraw/zinc/31/55/36/870315536.db2.gz XVAGQFHBHYXBMD-XMDUPGNXSA-N 2 2 398.378 3.975 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000248198487 870315555 /nfs/dbraw/zinc/31/55/55/870315555.db2.gz XVAGQFHBHYXBMD-XMDUPGNXSA-N 2 2 398.378 3.975 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000248198487 870315573 /nfs/dbraw/zinc/31/55/73/870315573.db2.gz XVAGQFHBHYXBMD-XMDUPGNXSA-N 2 2 398.378 3.975 20 0 GHADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000525347879 870408029 /nfs/dbraw/zinc/40/80/29/870408029.db2.gz JYCAEKFEJOKNGM-LJQANCHMSA-N 2 2 399.539 3.738 20 0 GHADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000525347879 870408042 /nfs/dbraw/zinc/40/80/42/870408042.db2.gz JYCAEKFEJOKNGM-LJQANCHMSA-N 2 2 399.539 3.738 20 0 GHADLP CC[C@H](c1ccncc1)[NH+](C)CC1(C[N@@H+](C)[C@H](CC)c2ccncc2)COC1 ZINC000248446767 870428858 /nfs/dbraw/zinc/42/88/58/870428858.db2.gz WWGYQWUBPYGRDT-FGZHOGPDSA-N 2 2 382.552 3.959 20 0 GHADLP CC[C@H](c1ccncc1)[NH+](C)CC1(C[N@H+](C)[C@H](CC)c2ccncc2)COC1 ZINC000248446767 870428864 /nfs/dbraw/zinc/42/88/64/870428864.db2.gz WWGYQWUBPYGRDT-FGZHOGPDSA-N 2 2 382.552 3.959 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)c(C)c1 ZINC000540148398 870602853 /nfs/dbraw/zinc/60/28/53/870602853.db2.gz MSZIRQRBBXEOSH-AVRDEDQJSA-N 2 2 387.491 3.568 20 0 GHADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1S(C)(=O)=O ZINC000446908370 870698681 /nfs/dbraw/zinc/69/86/81/870698681.db2.gz MFBINTQKOQMBEB-OXJNMPFZSA-N 2 2 378.582 3.531 20 0 GHADLP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000428460065 870773264 /nfs/dbraw/zinc/77/32/64/870773264.db2.gz FMYRQNDCNOIZOB-KJJMTIBFSA-N 2 2 379.552 3.702 20 0 GHADLP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428460065 870773276 /nfs/dbraw/zinc/77/32/76/870773276.db2.gz FMYRQNDCNOIZOB-KJJMTIBFSA-N 2 2 379.552 3.702 20 0 GHADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000538929865 870908740 /nfs/dbraw/zinc/90/87/40/870908740.db2.gz ZVUSKIPWUXJBRJ-HZPDHXFCSA-N 2 2 395.576 3.949 20 0 GHADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000538929865 870908757 /nfs/dbraw/zinc/90/87/57/870908757.db2.gz ZVUSKIPWUXJBRJ-HZPDHXFCSA-N 2 2 395.576 3.949 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001169128635 871216245 /nfs/dbraw/zinc/21/62/45/871216245.db2.gz GBDBZIUTJBWAHE-YMYKFTITSA-N 2 2 397.563 3.830 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001169128635 871216267 /nfs/dbraw/zinc/21/62/67/871216267.db2.gz GBDBZIUTJBWAHE-YMYKFTITSA-N 2 2 397.563 3.830 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001169128635 871216290 /nfs/dbraw/zinc/21/62/90/871216290.db2.gz GBDBZIUTJBWAHE-YMYKFTITSA-N 2 2 397.563 3.830 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001169128635 871216312 /nfs/dbraw/zinc/21/63/12/871216312.db2.gz GBDBZIUTJBWAHE-YMYKFTITSA-N 2 2 397.563 3.830 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCN(C(=O)c4cccs4)CC3)CC1)C2 ZINC001169135101 871224516 /nfs/dbraw/zinc/22/45/16/871224516.db2.gz XUNJLEBADOPHBF-REPLKXPHSA-N 2 2 387.593 3.692 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCN(C(=O)c4cccs4)CC3)CC1)C2 ZINC001169135101 871224532 /nfs/dbraw/zinc/22/45/32/871224532.db2.gz XUNJLEBADOPHBF-REPLKXPHSA-N 2 2 387.593 3.692 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Cc1ccccc1)C2 ZINC001169144147 871255942 /nfs/dbraw/zinc/25/59/42/871255942.db2.gz JWCVZKXHMPZURX-LRSLUSHPSA-N 2 2 399.579 3.776 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Cc1ccccc1)C2 ZINC001169144147 871255964 /nfs/dbraw/zinc/25/59/64/871255964.db2.gz JWCVZKXHMPZURX-LRSLUSHPSA-N 2 2 399.579 3.776 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Cc1ccccc1)C2 ZINC001169144147 871255985 /nfs/dbraw/zinc/25/59/85/871255985.db2.gz JWCVZKXHMPZURX-LRSLUSHPSA-N 2 2 399.579 3.776 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Cc1ccccc1)C2 ZINC001169144147 871256004 /nfs/dbraw/zinc/25/60/04/871256004.db2.gz JWCVZKXHMPZURX-LRSLUSHPSA-N 2 2 399.579 3.776 20 0 GHADLP CC1(C)[C@H](C(F)(F)F)CC[NH+]1CC(O)C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000447263840 871284250 /nfs/dbraw/zinc/28/42/50/871284250.db2.gz KNGCUZLUISYSOT-CHWSQXEVSA-N 2 2 390.412 3.673 20 0 GHADLP CC1(C)[C@H](C(F)(F)F)CC[NH+]1CC(O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000447263840 871284273 /nfs/dbraw/zinc/28/42/73/871284273.db2.gz KNGCUZLUISYSOT-CHWSQXEVSA-N 2 2 390.412 3.673 20 0 GHADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001169436110 871526768 /nfs/dbraw/zinc/52/67/68/871526768.db2.gz XNPGHQDTEFQLHW-HXUWFJFHSA-N 2 2 393.575 3.944 20 0 GHADLP CC[C@H](C[N@@H+](CC)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC001169483880 871534191 /nfs/dbraw/zinc/53/41/91/871534191.db2.gz YEBUMWQRHMULHY-NHCUHLMSSA-N 2 2 394.563 3.634 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000462113675 871637365 /nfs/dbraw/zinc/63/73/65/871637365.db2.gz UIDKMMLJHFXPRS-SFHVURJKSA-N 2 2 395.385 3.785 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cc2cc(Br)ccc2o1 ZINC000540595012 871656494 /nfs/dbraw/zinc/65/64/94/871656494.db2.gz MHRNZFRTDHYWFI-WMLDXEAASA-N 2 2 395.341 3.939 20 0 GHADLP C[C@@](CO)([NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1)c1cccc(O)c1 ZINC001194765324 871946214 /nfs/dbraw/zinc/94/62/14/871946214.db2.gz YTSOREZTHSIKEX-DEOSSOPVSA-N 2 2 382.548 3.534 20 0 GHADLP c1ccc(C(c2ccccc2)[NH+]2CC(C[NH2+][C@@H]3CCCC4(C3)OCCO4)C2)cc1 ZINC001169910726 872005071 /nfs/dbraw/zinc/00/50/71/872005071.db2.gz WDPVGPCQKYCVHV-HSZRJFAPSA-N 2 2 392.543 3.983 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000429722881 872013557 /nfs/dbraw/zinc/01/35/57/872013557.db2.gz ZZRKJPVFBTUGAE-GOSISDBHSA-N 2 2 379.504 3.601 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000552102596 872061688 /nfs/dbraw/zinc/06/16/88/872061688.db2.gz ICKJYZUEARVCBN-QFIPXVFZSA-N 2 2 376.504 3.631 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540778668 872142874 /nfs/dbraw/zinc/14/28/74/872142874.db2.gz NMOCIAYQPKAQTE-SFTDATJTSA-N 2 2 397.966 3.703 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(OCc2cccnc2)c1 ZINC000447733231 872219808 /nfs/dbraw/zinc/21/98/08/872219808.db2.gz XGLNSEMGDRYMJF-OAQYLSRUSA-N 2 2 395.547 3.977 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(OCc2cccnc2)c1 ZINC000447733231 872219823 /nfs/dbraw/zinc/21/98/23/872219823.db2.gz XGLNSEMGDRYMJF-OAQYLSRUSA-N 2 2 395.547 3.977 20 0 GHADLP CC[N@@H+](Cc1cc2c(c(OC)c1)OCO2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564596 872273671 /nfs/dbraw/zinc/27/36/71/872273671.db2.gz MNGYOMVNEDCCJZ-UHFFFAOYSA-N 2 2 383.492 3.557 20 0 GHADLP CC[N@H+](Cc1cc2c(c(OC)c1)OCO2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564596 872273679 /nfs/dbraw/zinc/27/36/79/872273679.db2.gz MNGYOMVNEDCCJZ-UHFFFAOYSA-N 2 2 383.492 3.557 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000527002846 872404369 /nfs/dbraw/zinc/40/43/69/872404369.db2.gz BYWKAVUYKBQSCO-DFQSSKMNSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000527002846 872404381 /nfs/dbraw/zinc/40/43/81/872404381.db2.gz BYWKAVUYKBQSCO-DFQSSKMNSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000527002846 872404390 /nfs/dbraw/zinc/40/43/90/872404390.db2.gz BYWKAVUYKBQSCO-DFQSSKMNSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000527002846 872404411 /nfs/dbraw/zinc/40/44/11/872404411.db2.gz BYWKAVUYKBQSCO-DFQSSKMNSA-N 2 2 394.563 3.665 20 0 GHADLP C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000478204610 872686073 /nfs/dbraw/zinc/68/60/73/872686073.db2.gz KQMLFQPQNOGTQC-XMSQKQJNSA-N 2 2 395.551 3.563 20 0 GHADLP Cc1c(O)ccc2c(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cc(=O)oc12 ZINC000775687512 872901414 /nfs/dbraw/zinc/90/14/14/872901414.db2.gz BJRPRSBGLVJLEO-IERDGZPVSA-N 2 2 392.499 3.807 20 0 GHADLP Cc1c(O)ccc2c(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)cc(=O)oc12 ZINC000775687512 872901421 /nfs/dbraw/zinc/90/14/21/872901421.db2.gz BJRPRSBGLVJLEO-IERDGZPVSA-N 2 2 392.499 3.807 20 0 GHADLP Cc1c(O)ccc2c(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)cc(=O)oc12 ZINC000775687508 872901534 /nfs/dbraw/zinc/90/15/34/872901534.db2.gz BJRPRSBGLVJLEO-HRAATJIYSA-N 2 2 392.499 3.807 20 0 GHADLP Cc1c(O)ccc2c(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cc(=O)oc12 ZINC000775687508 872901548 /nfs/dbraw/zinc/90/15/48/872901548.db2.gz BJRPRSBGLVJLEO-HRAATJIYSA-N 2 2 392.499 3.807 20 0 GHADLP CC[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)C1 ZINC001196175137 872931404 /nfs/dbraw/zinc/93/14/04/872931404.db2.gz GVKPWLIODUZIII-NHCUHLMSSA-N 2 2 385.596 3.965 20 0 GHADLP CC[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)C1 ZINC001196175137 872931412 /nfs/dbraw/zinc/93/14/12/872931412.db2.gz GVKPWLIODUZIII-NHCUHLMSSA-N 2 2 385.596 3.965 20 0 GHADLP Cc1cc(Br)c(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1Br ZINC000527637732 873389989 /nfs/dbraw/zinc/38/99/89/873389989.db2.gz OJGRWKYZMULXQS-NSHDSACASA-N 2 2 387.119 3.895 20 0 GHADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccsc3C(F)(F)F)cc2)CC1 ZINC000527643211 873393586 /nfs/dbraw/zinc/39/35/86/873393586.db2.gz ZESSIGNJFJVFNK-UHFFFAOYSA-N 2 2 383.483 3.804 20 0 GHADLP Cc1cc(C)c(CCNC(=O)C[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)c(C)c1 ZINC001196935434 873486695 /nfs/dbraw/zinc/48/66/95/873486695.db2.gz IYCKPEQBXFHHAL-QHCPKHFHSA-N 2 2 399.623 3.857 20 0 GHADLP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)c(C)c1 ZINC001196935434 873486700 /nfs/dbraw/zinc/48/67/00/873486700.db2.gz IYCKPEQBXFHHAL-QHCPKHFHSA-N 2 2 399.623 3.857 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000122849714 882729642 /nfs/dbraw/zinc/72/96/42/882729642.db2.gz BHSUKVRRTDRBBQ-PXNSSMCTSA-N 2 2 381.520 3.588 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000122849714 882729650 /nfs/dbraw/zinc/72/96/50/882729650.db2.gz BHSUKVRRTDRBBQ-PXNSSMCTSA-N 2 2 381.520 3.588 20 0 GHADLP C[N@H+](CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)Cc1ccccc1 ZINC000541395822 873508259 /nfs/dbraw/zinc/50/82/59/873508259.db2.gz NODAKOUOMLTCFA-OAQYLSRUSA-N 2 2 394.563 3.741 20 0 GHADLP C[N@@H+](CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)Cc1ccccc1 ZINC000541395822 873508267 /nfs/dbraw/zinc/50/82/67/873508267.db2.gz NODAKOUOMLTCFA-OAQYLSRUSA-N 2 2 394.563 3.741 20 0 GHADLP Cc1cccc(C2(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)CCCC2)c1 ZINC000460484033 882732223 /nfs/dbraw/zinc/73/22/23/882732223.db2.gz CUTSYNDZNMDYTF-UHFFFAOYSA-N 2 2 397.607 3.873 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527946247 873791532 /nfs/dbraw/zinc/79/15/32/873791532.db2.gz HFUPLCJZVSYOHD-JXFKEZNVSA-N 2 2 379.570 3.506 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527946247 873791542 /nfs/dbraw/zinc/79/15/42/873791542.db2.gz HFUPLCJZVSYOHD-JXFKEZNVSA-N 2 2 379.570 3.506 20 0 GHADLP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528012174 873884150 /nfs/dbraw/zinc/88/41/50/873884150.db2.gz OMMFKKLEQJUVMP-DFQSSKMNSA-N 2 2 395.547 3.590 20 0 GHADLP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528012174 873884163 /nfs/dbraw/zinc/88/41/63/873884163.db2.gz OMMFKKLEQJUVMP-DFQSSKMNSA-N 2 2 395.547 3.590 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2cccc3c2cc[nH]c3=O)cc1 ZINC001198021818 874183976 /nfs/dbraw/zinc/18/39/76/874183976.db2.gz OHKPCFHLZLPUMH-UHFFFAOYSA-N 2 2 392.503 3.576 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2cccc3c2cc[nH]c3=O)cc1 ZINC001198021818 874183979 /nfs/dbraw/zinc/18/39/79/874183979.db2.gz OHKPCFHLZLPUMH-UHFFFAOYSA-N 2 2 392.503 3.576 20 0 GHADLP CC(=O)c1cccc(NC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)c1C ZINC001198031101 874189913 /nfs/dbraw/zinc/18/99/13/874189913.db2.gz RZXNJKBOWFNPNN-UHFFFAOYSA-N 2 2 381.520 3.833 20 0 GHADLP CC(=O)c1cccc(NC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)c1C ZINC001198031101 874189922 /nfs/dbraw/zinc/18/99/22/874189922.db2.gz RZXNJKBOWFNPNN-UHFFFAOYSA-N 2 2 381.520 3.833 20 0 GHADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000122946470 882825248 /nfs/dbraw/zinc/82/52/48/882825248.db2.gz FQXBWRPYYUKOOO-UHFFFAOYSA-N 2 2 388.313 3.745 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2cccnc2N2CCOCC2)CC1 ZINC000449071671 874450889 /nfs/dbraw/zinc/45/08/89/874450889.db2.gz CBJHXTPXSPNELB-UHFFFAOYSA-N 2 2 388.600 3.687 20 0 GHADLP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528372636 874469453 /nfs/dbraw/zinc/46/94/53/874469453.db2.gz PRNDCWWXHQRCCJ-LJQANCHMSA-N 2 2 381.867 3.524 20 0 GHADLP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528372636 874469455 /nfs/dbraw/zinc/46/94/55/874469455.db2.gz PRNDCWWXHQRCCJ-LJQANCHMSA-N 2 2 381.867 3.524 20 0 GHADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccccc2OCC[NH+](C)C)CC1 ZINC000449103965 874476101 /nfs/dbraw/zinc/47/61/01/874476101.db2.gz CQWIOEBXOXXQBF-OAQYLSRUSA-N 3 2 395.591 3.812 20 0 GHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000449142908 874531308 /nfs/dbraw/zinc/53/13/08/874531308.db2.gz VDJRRQQKIVQHEF-QZTJIDSGSA-N 2 2 388.577 3.913 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843464 874618587 /nfs/dbraw/zinc/61/85/87/874618587.db2.gz VCVAMDRXZGEOLK-JTHBVZDNSA-N 2 2 393.575 3.796 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843464 874618594 /nfs/dbraw/zinc/61/85/94/874618594.db2.gz VCVAMDRXZGEOLK-JTHBVZDNSA-N 2 2 393.575 3.796 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843464 874618602 /nfs/dbraw/zinc/61/86/02/874618602.db2.gz VCVAMDRXZGEOLK-JTHBVZDNSA-N 2 2 393.575 3.796 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843464 874618610 /nfs/dbraw/zinc/61/86/10/874618610.db2.gz VCVAMDRXZGEOLK-JTHBVZDNSA-N 2 2 393.575 3.796 20 0 GHADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464847420 874630631 /nfs/dbraw/zinc/63/06/31/874630631.db2.gz LHVHHAVJRCJLFV-MQSCRBSSSA-N 2 2 393.575 3.749 20 0 GHADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464847420 874630637 /nfs/dbraw/zinc/63/06/37/874630637.db2.gz LHVHHAVJRCJLFV-MQSCRBSSSA-N 2 2 393.575 3.749 20 0 GHADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464847420 874630641 /nfs/dbraw/zinc/63/06/41/874630641.db2.gz LHVHHAVJRCJLFV-MQSCRBSSSA-N 2 2 393.575 3.749 20 0 GHADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464847420 874630645 /nfs/dbraw/zinc/63/06/45/874630645.db2.gz LHVHHAVJRCJLFV-MQSCRBSSSA-N 2 2 393.575 3.749 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccc(Cl)c(F)c1 ZINC000528491180 874651599 /nfs/dbraw/zinc/65/15/99/874651599.db2.gz YZCWAEBZYILZGD-UHFFFAOYSA-N 2 2 390.890 3.830 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cc2cccc(S(C)(=O)=O)c2)CC1)CC(C)C ZINC000449326769 874708978 /nfs/dbraw/zinc/70/89/78/874708978.db2.gz YZLLKCAYMVUWCY-UHFFFAOYSA-N 2 2 380.598 3.670 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cc2cccc(S(C)(=O)=O)c2)CC1)CC(C)C ZINC000449326769 874708989 /nfs/dbraw/zinc/70/89/89/874708989.db2.gz YZLLKCAYMVUWCY-UHFFFAOYSA-N 2 2 380.598 3.670 20 0 GHADLP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449331092 874715216 /nfs/dbraw/zinc/71/52/16/874715216.db2.gz XHQCPTUAWOLRMI-INIZCTEOSA-N 2 2 379.426 3.607 20 0 GHADLP COCO[C@@H](C)c1cc(F)c(C[NH2+][C@H](C)CC[NH+](C)C)cc1Br ZINC000858116150 882857679 /nfs/dbraw/zinc/85/76/79/882857679.db2.gz PLLNTELNYTYKGU-OLZOCXBDSA-N 2 2 391.325 3.700 20 0 GHADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000303013800 874811781 /nfs/dbraw/zinc/81/17/81/874811781.db2.gz KVGNFUKAYNYMAW-IFMALSPDSA-N 2 2 375.601 3.826 20 0 GHADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000303013800 874811792 /nfs/dbraw/zinc/81/17/92/874811792.db2.gz KVGNFUKAYNYMAW-IFMALSPDSA-N 2 2 375.601 3.826 20 0 GHADLP COc1ccc([C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C2CC2)cc1 ZINC001199109677 874823374 /nfs/dbraw/zinc/82/33/74/874823374.db2.gz IMLSAXGCYFGTOX-XMMPIXPASA-N 2 2 396.531 3.647 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C2CC2)cc1 ZINC000542135677 875035093 /nfs/dbraw/zinc/03/50/93/875035093.db2.gz WFDDMCNVSVUAEW-DEOSSOPVSA-N 2 2 394.563 3.951 20 0 GHADLP CC[N@H+](CCC1CCN(C(=O)Nc2ccc(C)[nH+]c2N(C)C)CC1)CC1CC1 ZINC000771461074 875256883 /nfs/dbraw/zinc/25/68/83/875256883.db2.gz NUXPJMRJQXCSKA-UHFFFAOYSA-N 2 2 387.572 3.822 20 0 GHADLP CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(C)[nH+]c2N(C)C)CC1)CC1CC1 ZINC000771461074 875256900 /nfs/dbraw/zinc/25/69/00/875256900.db2.gz NUXPJMRJQXCSKA-UHFFFAOYSA-N 2 2 387.572 3.822 20 0 GHADLP COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[N@@H+]2C)cc1 ZINC000776091935 875328870 /nfs/dbraw/zinc/32/88/70/875328870.db2.gz ZJJXJZUAVALOIQ-DENIHFKCSA-N 2 2 391.471 3.731 20 0 GHADLP COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[N@H+]2C)cc1 ZINC000776091935 875328886 /nfs/dbraw/zinc/32/88/86/875328886.db2.gz ZJJXJZUAVALOIQ-DENIHFKCSA-N 2 2 391.471 3.731 20 0 GHADLP CCCOc1cc(Nc2ccc(N)[nH+]c2)ccc1C(=O)OCC[NH+](CC)CC ZINC001201291098 875594953 /nfs/dbraw/zinc/59/49/53/875594953.db2.gz ATQFJXQNNJOKGT-UHFFFAOYSA-N 2 2 386.496 3.695 20 0 GHADLP COc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc2c1OCCO2 ZINC001201600314 875779630 /nfs/dbraw/zinc/77/96/30/875779630.db2.gz JSTVZWRIKAKBKI-HXUWFJFHSA-N 2 2 393.487 3.811 20 0 GHADLP C[NH+]1CCC(CNC(=O)C(C)(C)c2cccc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000172749655 875898516 /nfs/dbraw/zinc/89/85/16/875898516.db2.gz HFFISLBQZCBAPM-UHFFFAOYSA-N 2 2 391.987 3.684 20 0 GHADLP CC(C)[C@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000172754606 875901496 /nfs/dbraw/zinc/90/14/96/875901496.db2.gz VBXZHQUCPIOPEK-QFIPXVFZSA-N 2 2 385.596 3.883 20 0 GHADLP CC(C)(C)OC(=O)N1CCc2c(C[NH2+]CCCCn3cc[nH+]c3)cccc2C1 ZINC000850061707 876635423 /nfs/dbraw/zinc/63/54/23/876635423.db2.gz CSFYKOXWJIDEIV-UHFFFAOYSA-N 2 2 384.524 3.746 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C2)CC1 ZINC000537659811 883055983 /nfs/dbraw/zinc/05/59/83/883055983.db2.gz RMURQUQRXOVDPG-INIZCTEOSA-N 2 2 389.893 3.959 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C2)CC1 ZINC000537659811 883055997 /nfs/dbraw/zinc/05/59/97/883055997.db2.gz RMURQUQRXOVDPG-INIZCTEOSA-N 2 2 389.893 3.959 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCCOC2)s1 ZINC000850359564 876848594 /nfs/dbraw/zinc/84/85/94/876848594.db2.gz KLSMYLJASZQBGR-LJQANCHMSA-N 2 2 379.957 3.740 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc2c(c1)CCCO2 ZINC000850435645 876918918 /nfs/dbraw/zinc/91/89/18/876918918.db2.gz CBTVNOQSAIWZFF-CDNPAEQRSA-N 2 2 380.532 3.545 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc2c(c1)CCCO2 ZINC000850435645 876918925 /nfs/dbraw/zinc/91/89/25/876918925.db2.gz CBTVNOQSAIWZFF-CDNPAEQRSA-N 2 2 380.532 3.545 20 0 GHADLP CCOC(=O)NC1CCC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000850447886 876932329 /nfs/dbraw/zinc/93/23/29/876932329.db2.gz ODNFIKMJLYOLEF-GRERDSQWSA-N 2 2 384.524 3.888 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(N2CCNC2=O)cc1 ZINC000786834671 876953837 /nfs/dbraw/zinc/95/38/37/876953837.db2.gz GOTPXVXZOSNFPO-IAGOWNOFSA-N 2 2 375.476 3.814 20 0 GHADLP C[NH+]1CCC(CNC(=O)CCCc2ccc(Cl)cc2)([NH+]2CCCCC2)CC1 ZINC000460511250 883098902 /nfs/dbraw/zinc/09/89/02/883098902.db2.gz UUTSGAJLNXAKJO-UHFFFAOYSA-N 2 2 391.987 3.729 20 0 GHADLP CC(C)Oc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1Cl ZINC000551529048 877385437 /nfs/dbraw/zinc/38/54/37/877385437.db2.gz AGUXUWNYPBKGGT-VQIMIIECSA-N 2 2 395.975 3.721 20 0 GHADLP CC(C)Oc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1Cl ZINC000551529048 877385456 /nfs/dbraw/zinc/38/54/56/877385456.db2.gz AGUXUWNYPBKGGT-VQIMIIECSA-N 2 2 395.975 3.721 20 0 GHADLP Brc1ccc(-c2c[nH]c(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)n2)cc1 ZINC000666995693 877396428 /nfs/dbraw/zinc/39/64/28/877396428.db2.gz WPJQTVWAIFQIRP-OAHLLOKOSA-N 2 2 375.314 3.604 20 0 GHADLP COc1ccccc1C[C@H](C)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551700080 877667594 /nfs/dbraw/zinc/66/75/94/877667594.db2.gz UVTQEOGIUOJWNE-REWPJTCUSA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccccc1C[C@H](C)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551700080 877667601 /nfs/dbraw/zinc/66/76/01/877667601.db2.gz UVTQEOGIUOJWNE-REWPJTCUSA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccccc1C[C@H](C)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551700080 877667605 /nfs/dbraw/zinc/66/76/05/877667605.db2.gz UVTQEOGIUOJWNE-REWPJTCUSA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccccc1C[C@H](C)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551700080 877667612 /nfs/dbraw/zinc/66/76/12/877667612.db2.gz UVTQEOGIUOJWNE-REWPJTCUSA-N 2 2 382.548 3.849 20 0 GHADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3cc[nH+]c(N4CCCCC4)c3)ccc21 ZINC000455900403 877834147 /nfs/dbraw/zinc/83/41/47/877834147.db2.gz FSTFQCKEALQDSK-NRFANRHFSA-N 2 2 393.535 3.943 20 0 GHADLP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451473618 878019780 /nfs/dbraw/zinc/01/97/80/878019780.db2.gz WPQQOQXQICXNLP-GHTZIAJQSA-N 2 2 384.568 3.723 20 0 GHADLP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451473618 878019797 /nfs/dbraw/zinc/01/97/97/878019797.db2.gz WPQQOQXQICXNLP-GHTZIAJQSA-N 2 2 384.568 3.723 20 0 GHADLP O=C1[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCCN1c1ccc(Cl)cc1Cl ZINC000530546604 878033725 /nfs/dbraw/zinc/03/37/25/878033725.db2.gz RFWVBNUDGCTDTD-GOSISDBHSA-N 2 2 396.362 3.953 20 0 GHADLP CC(C)c1cccc(CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000477756527 878144343 /nfs/dbraw/zinc/14/43/43/878144343.db2.gz WMBOHGUKIUJBFP-UHFFFAOYSA-N 2 2 386.584 3.560 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534186 878154901 /nfs/dbraw/zinc/15/49/01/878154901.db2.gz MXTCDWBUMYPBKB-HKUYNNGSSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534186 878154914 /nfs/dbraw/zinc/15/49/14/878154914.db2.gz MXTCDWBUMYPBKB-HKUYNNGSSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534186 878154925 /nfs/dbraw/zinc/15/49/25/878154925.db2.gz MXTCDWBUMYPBKB-HKUYNNGSSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534186 878154941 /nfs/dbraw/zinc/15/49/41/878154941.db2.gz MXTCDWBUMYPBKB-HKUYNNGSSA-N 2 2 377.960 3.667 20 0 GHADLP CN(C(=O)Nc1c(F)cccc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245604695 878188003 /nfs/dbraw/zinc/18/80/03/878188003.db2.gz XWMOVGURODGIMS-RTBURBONSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1c(F)cccc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245604695 878188009 /nfs/dbraw/zinc/18/80/09/878188009.db2.gz XWMOVGURODGIMS-RTBURBONSA-N 2 2 394.510 3.766 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000530711270 878323752 /nfs/dbraw/zinc/32/37/52/878323752.db2.gz DWMYIVIUSDOYFH-QFIPXVFZSA-N 2 2 388.515 3.689 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC[C@H]21 ZINC000245737453 878504699 /nfs/dbraw/zinc/50/46/99/878504699.db2.gz FVBDCPIKASUDLX-NZQKXSOJSA-N 2 2 387.531 3.850 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC[C@H]21 ZINC000245737453 878504714 /nfs/dbraw/zinc/50/47/14/878504714.db2.gz FVBDCPIKASUDLX-NZQKXSOJSA-N 2 2 387.531 3.850 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC[C@H]21 ZINC000245737453 878504727 /nfs/dbraw/zinc/50/47/27/878504727.db2.gz FVBDCPIKASUDLX-NZQKXSOJSA-N 2 2 387.531 3.850 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC[C@H]21 ZINC000245737453 878504743 /nfs/dbraw/zinc/50/47/43/878504743.db2.gz FVBDCPIKASUDLX-NZQKXSOJSA-N 2 2 387.531 3.850 20 0 GHADLP CN(C(=O)Cc1ccccc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245759920 878558309 /nfs/dbraw/zinc/55/83/09/878558309.db2.gz ZQESNQZAGRIWAL-NHCUHLMSSA-N 2 2 391.987 3.678 20 0 GHADLP CN(C(=O)Cc1ccccc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245759920 878558323 /nfs/dbraw/zinc/55/83/23/878558323.db2.gz ZQESNQZAGRIWAL-NHCUHLMSSA-N 2 2 391.987 3.678 20 0 GHADLP C[C@@H](CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[N@H+](C)Cc1ccccc1 ZINC000530835971 878579085 /nfs/dbraw/zinc/57/90/85/878579085.db2.gz CSSPFABJOXQIQM-IBGZPJMESA-N 2 2 376.504 3.572 20 0 GHADLP C[C@@H](CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000530835971 878579097 /nfs/dbraw/zinc/57/90/97/878579097.db2.gz CSSPFABJOXQIQM-IBGZPJMESA-N 2 2 376.504 3.572 20 0 GHADLP O=C1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CN1c1ccccc1Cl ZINC000537975722 878609565 /nfs/dbraw/zinc/60/95/65/878609565.db2.gz ZRXXLALIMXZDKR-FQEVSTJZSA-N 2 2 397.950 3.742 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177388227 878685354 /nfs/dbraw/zinc/68/53/54/878685354.db2.gz JJNQNJNSDPMGNV-IRXDYDNUSA-N 2 2 398.532 3.534 20 0 GHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3nc(C(C)(C)C)cs3)CC2)C[C@H](C)O1 ZINC000538045334 878755924 /nfs/dbraw/zinc/75/59/24/878755924.db2.gz QCOMUVOQYXEHLB-CALCHBBNSA-N 2 2 395.613 3.531 20 0 GHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3nc(C(C)(C)C)cs3)CC2)C[C@H](C)O1 ZINC000538045334 878755939 /nfs/dbraw/zinc/75/59/39/878755939.db2.gz QCOMUVOQYXEHLB-CALCHBBNSA-N 2 2 395.613 3.531 20 0 GHADLP C[C@H](c1c(F)cccc1F)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000538046106 878757413 /nfs/dbraw/zinc/75/74/13/878757413.db2.gz WIXQAQPCMXPWMU-BRWVUGGUSA-N 2 2 382.495 3.616 20 0 GHADLP Cc1cc2oc(=O)cc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c2cc1C(C)C ZINC000853078943 878797834 /nfs/dbraw/zinc/79/78/34/878797834.db2.gz WCEQSGSSGHEFDQ-LJQANCHMSA-N 2 2 384.520 3.568 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000531188810 879279662 /nfs/dbraw/zinc/27/96/62/879279662.db2.gz HUPPXQMDOWNWAN-FQEVSTJZSA-N 2 2 380.517 3.556 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1OC(F)F ZINC000246373743 879472572 /nfs/dbraw/zinc/47/25/72/879472572.db2.gz JNMBDVHAUYWITR-MORSLUCNSA-N 2 2 386.458 3.846 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000518979754 879485615 /nfs/dbraw/zinc/48/56/15/879485615.db2.gz RNBGVXKWPFXWLX-IQUTYRLHSA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000518979754 879485623 /nfs/dbraw/zinc/48/56/23/879485623.db2.gz RNBGVXKWPFXWLX-IQUTYRLHSA-N 2 2 384.351 3.635 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000854222579 879640768 /nfs/dbraw/zinc/64/07/68/879640768.db2.gz JDKHFYPCVZIRAW-IPHXSNPTSA-N 2 2 383.467 3.579 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000854225193 879643888 /nfs/dbraw/zinc/64/38/88/879643888.db2.gz YRHLWWWHHICLLY-KNXBSLHKSA-N 2 2 381.495 3.749 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)[N@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C1CC1 ZINC000790370076 879672275 /nfs/dbraw/zinc/67/22/75/879672275.db2.gz NXWJRUBGSLHPFW-QVKFZJNVSA-N 2 2 389.927 3.740 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C1CC1 ZINC000790370076 879672277 /nfs/dbraw/zinc/67/22/77/879672277.db2.gz NXWJRUBGSLHPFW-QVKFZJNVSA-N 2 2 389.927 3.740 20 0 GHADLP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Cl)cc1 ZINC000493917146 879717037 /nfs/dbraw/zinc/71/70/37/879717037.db2.gz PHRSVCLHZMLKSV-HJNYFJLDSA-N 2 2 388.939 3.500 20 0 GHADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Cl)cc1 ZINC000493917146 879717042 /nfs/dbraw/zinc/71/70/42/879717042.db2.gz PHRSVCLHZMLKSV-HJNYFJLDSA-N 2 2 388.939 3.500 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Br)cs1 ZINC000493961524 879778050 /nfs/dbraw/zinc/77/80/50/879778050.db2.gz QERYLRKERPEMIO-KSSFIOAISA-N 2 2 395.366 3.798 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(Br)cs1 ZINC000493961524 879778060 /nfs/dbraw/zinc/77/80/60/879778060.db2.gz QERYLRKERPEMIO-KSSFIOAISA-N 2 2 395.366 3.798 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cs2)cc1 ZINC000139895913 879831645 /nfs/dbraw/zinc/83/16/45/879831645.db2.gz OUXOKTVZFWASGR-MJGOQNOKSA-N 2 2 385.533 3.513 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cs2)cc1 ZINC000139895913 879831659 /nfs/dbraw/zinc/83/16/59/879831659.db2.gz OUXOKTVZFWASGR-MJGOQNOKSA-N 2 2 385.533 3.513 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cs2)cc1 ZINC000139895913 879831672 /nfs/dbraw/zinc/83/16/72/879831672.db2.gz OUXOKTVZFWASGR-MJGOQNOKSA-N 2 2 385.533 3.513 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cs2)cc1 ZINC000139895913 879831686 /nfs/dbraw/zinc/83/16/86/879831686.db2.gz OUXOKTVZFWASGR-MJGOQNOKSA-N 2 2 385.533 3.513 20 0 GHADLP CC(C)n1ncc2c1C[C@@H]([NH2+]C1CCN(c3ccc([NH+](C)C)cc3)CC1)CC2 ZINC000790690339 879927122 /nfs/dbraw/zinc/92/71/22/879927122.db2.gz OLVHNBUUDGUNKT-FQEVSTJZSA-N 2 2 381.568 3.646 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000247797209 880068278 /nfs/dbraw/zinc/06/82/78/880068278.db2.gz ZTNRNNRBSUFLRT-TYPHKJRUSA-N 2 2 383.540 3.559 20 0 GHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nc(C[NH+]3CCC[C@H](C)C3)cs2)[C@H](C)C1 ZINC000531646661 880252714 /nfs/dbraw/zinc/25/27/14/880252714.db2.gz NYJNBAWQVQPHTR-JZXOWHBKSA-N 2 2 393.601 3.569 20 0 GHADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2nc(C[NH+]3CCC[C@H](C)C3)cs2)[C@H](C)C1 ZINC000531646661 880252724 /nfs/dbraw/zinc/25/27/24/880252724.db2.gz NYJNBAWQVQPHTR-JZXOWHBKSA-N 2 2 393.601 3.569 20 0 GHADLP CC[NH+]1CC[C@H](N(C)C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)[C@H](C)C1 ZINC000531646661 880252729 /nfs/dbraw/zinc/25/27/29/880252729.db2.gz NYJNBAWQVQPHTR-JZXOWHBKSA-N 2 2 393.601 3.569 20 0 GHADLP CC[NH+]1CC[C@H](N(C)C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)[C@H](C)C1 ZINC000531646661 880252738 /nfs/dbraw/zinc/25/27/38/880252738.db2.gz NYJNBAWQVQPHTR-JZXOWHBKSA-N 2 2 393.601 3.569 20 0 GHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nc(C[NH+]3CCC[C@@H](C)C3)cs2)[C@H](C)C1 ZINC000531646662 880252884 /nfs/dbraw/zinc/25/28/84/880252884.db2.gz NYJNBAWQVQPHTR-NUJGCVRESA-N 2 2 393.601 3.569 20 0 GHADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2nc(C[NH+]3CCC[C@@H](C)C3)cs2)[C@H](C)C1 ZINC000531646662 880252893 /nfs/dbraw/zinc/25/28/93/880252893.db2.gz NYJNBAWQVQPHTR-NUJGCVRESA-N 2 2 393.601 3.569 20 0 GHADLP CC[NH+]1CC[C@H](N(C)C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)[C@H](C)C1 ZINC000531646662 880252905 /nfs/dbraw/zinc/25/29/05/880252905.db2.gz NYJNBAWQVQPHTR-NUJGCVRESA-N 2 2 393.601 3.569 20 0 GHADLP CC[NH+]1CC[C@H](N(C)C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)[C@H](C)C1 ZINC000531646662 880252916 /nfs/dbraw/zinc/25/29/16/880252916.db2.gz NYJNBAWQVQPHTR-NUJGCVRESA-N 2 2 393.601 3.569 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1ccccc1Cl)c1ccsc1 ZINC000453111623 880482162 /nfs/dbraw/zinc/48/21/62/880482162.db2.gz PDPUOIPUHFSRPQ-MOPGFXCFSA-N 2 2 391.968 3.615 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1ccccc1Cl)c1ccsc1 ZINC000453111623 880482165 /nfs/dbraw/zinc/48/21/65/880482165.db2.gz PDPUOIPUHFSRPQ-MOPGFXCFSA-N 2 2 391.968 3.615 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc4[nH]c(C)cc4c3)CC2)CC1 ZINC000643260327 912583363 /nfs/dbraw/zinc/58/33/63/912583363.db2.gz ALAISXLWRZXONL-UHFFFAOYSA-N 2 2 383.540 3.500 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc4[nH]c(C)cc4c3)CC2)CC1 ZINC000643260327 912583369 /nfs/dbraw/zinc/58/33/69/912583369.db2.gz ALAISXLWRZXONL-UHFFFAOYSA-N 2 2 383.540 3.500 20 0 GHADLP C[C@@H]1C[C@H](CC[NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000453183486 880584901 /nfs/dbraw/zinc/58/49/01/880584901.db2.gz YTCIWERBLVXCNZ-FHJLPGHOSA-N 2 2 393.510 3.924 20 0 GHADLP C[C@@H]1C[C@H](CC[NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000453183486 880584909 /nfs/dbraw/zinc/58/49/09/880584909.db2.gz YTCIWERBLVXCNZ-FHJLPGHOSA-N 2 2 393.510 3.924 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCCO1 ZINC000453220476 880639263 /nfs/dbraw/zinc/63/92/63/880639263.db2.gz UEZLGFNANJIPMU-MSNJVRRCSA-N 3 2 385.596 3.520 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCCO1 ZINC000453220476 880639267 /nfs/dbraw/zinc/63/92/67/880639267.db2.gz UEZLGFNANJIPMU-MSNJVRRCSA-N 3 2 385.596 3.520 20 0 GHADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCCO1 ZINC000453220476 880639271 /nfs/dbraw/zinc/63/92/71/880639271.db2.gz UEZLGFNANJIPMU-MSNJVRRCSA-N 3 2 385.596 3.520 20 0 GHADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCCO1 ZINC000453220476 880639276 /nfs/dbraw/zinc/63/92/76/880639276.db2.gz UEZLGFNANJIPMU-MSNJVRRCSA-N 3 2 385.596 3.520 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000429529375 880972887 /nfs/dbraw/zinc/97/28/87/880972887.db2.gz RGVWKAUXYBWRHG-DHIUTWEWSA-N 2 2 397.538 3.642 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000429529375 880972900 /nfs/dbraw/zinc/97/29/00/880972900.db2.gz RGVWKAUXYBWRHG-DHIUTWEWSA-N 2 2 397.538 3.642 20 0 GHADLP C[C@H]1CCc2ccccc2[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000543707620 881025353 /nfs/dbraw/zinc/02/53/53/881025353.db2.gz KGCFCERHLYETSE-UGKGYDQZSA-N 2 2 398.595 3.560 20 0 GHADLP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)C1CCSCC1 ZINC000187025424 881052978 /nfs/dbraw/zinc/05/29/78/881052978.db2.gz RRJOIUWNWAWVQZ-FQEVSTJZSA-N 2 2 375.626 3.706 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000532154237 881263048 /nfs/dbraw/zinc/26/30/48/881263048.db2.gz ZKCHDOCGYPQSBO-OAQYLSRUSA-N 2 2 384.499 3.776 20 0 GHADLP CC[C@H](NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)C1CCCCC1 ZINC000643378188 912667322 /nfs/dbraw/zinc/66/73/22/912667322.db2.gz PJHUGZFZZLILMB-NRFANRHFSA-N 2 2 378.605 3.547 20 0 GHADLP CC[C@H](NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)C1CCCCC1 ZINC000643378188 912667333 /nfs/dbraw/zinc/66/73/33/912667333.db2.gz PJHUGZFZZLILMB-NRFANRHFSA-N 2 2 378.605 3.547 20 0 GHADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)CC2)oc1C ZINC000551049833 883171741 /nfs/dbraw/zinc/17/17/41/883171741.db2.gz BSMLONYMXXMQJA-GOTSBHOMSA-N 3 2 396.579 3.929 20 0 GHADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)CC2)oc1C ZINC000551049833 883171746 /nfs/dbraw/zinc/17/17/46/883171746.db2.gz BSMLONYMXXMQJA-GOTSBHOMSA-N 3 2 396.579 3.929 20 0 GHADLP Cc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C(F)(F)F ZINC000195342528 883288704 /nfs/dbraw/zinc/28/87/04/883288704.db2.gz YLGTXZDKURZKEL-UHFFFAOYSA-N 2 2 398.473 3.694 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000195341719 883288830 /nfs/dbraw/zinc/28/88/30/883288830.db2.gz RGDRHOPLYLVOGS-UHFFFAOYSA-N 2 2 385.339 3.674 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000286345179 912703278 /nfs/dbraw/zinc/70/32/78/912703278.db2.gz YZPRSUVAVLPCRF-ZWKOTPCHSA-N 2 2 376.508 3.539 20 0 GHADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502614 912725322 /nfs/dbraw/zinc/72/53/22/912725322.db2.gz LPSZWXDAEKRUCA-WCQYABFASA-N 2 2 377.838 3.808 20 0 GHADLP COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000551418635 883839763 /nfs/dbraw/zinc/83/97/63/883839763.db2.gz OKAUAAQBDPWUJA-XMSQKQJNSA-N 2 2 377.488 3.691 20 0 GHADLP CCN(C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@H]1CC[N@H+](CC)C1 ZINC000666895195 885027050 /nfs/dbraw/zinc/02/70/50/885027050.db2.gz JHBKFGSJQDTPKI-FQEVSTJZSA-N 2 2 381.524 3.834 20 0 GHADLP CCN(C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000666895195 885027062 /nfs/dbraw/zinc/02/70/62/885027062.db2.gz JHBKFGSJQDTPKI-FQEVSTJZSA-N 2 2 381.524 3.834 20 0 GHADLP O=C([C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1)N1CCCC1 ZINC000130957052 885375071 /nfs/dbraw/zinc/37/50/71/885375071.db2.gz YUSORLXQWQIHNE-QHCPKHFHSA-N 2 2 383.580 3.607 20 0 GHADLP OCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000655766544 885379402 /nfs/dbraw/zinc/37/94/02/885379402.db2.gz IKFOTJYYWQZSKW-QFBILLFUSA-N 2 2 387.351 3.650 20 0 GHADLP C[N@@H+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000107833274 885497818 /nfs/dbraw/zinc/49/78/18/885497818.db2.gz KIPNYIPQLVZIGR-LEWJYISDSA-N 2 2 396.535 3.505 20 0 GHADLP C[N@H+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000107833274 885497825 /nfs/dbraw/zinc/49/78/25/885497825.db2.gz KIPNYIPQLVZIGR-LEWJYISDSA-N 2 2 396.535 3.505 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000532521943 885881970 /nfs/dbraw/zinc/88/19/70/885881970.db2.gz AGZZBYBCSHQLBZ-DCLXLUIPSA-N 2 2 390.531 3.812 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@H]1c1ccccc1 ZINC000550703852 885955431 /nfs/dbraw/zinc/95/54/31/885955431.db2.gz PLELTHCSKYSQML-JBACZVJFSA-N 2 2 383.923 3.870 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@H]1c1ccccc1 ZINC000550703852 885955446 /nfs/dbraw/zinc/95/54/46/885955446.db2.gz PLELTHCSKYSQML-JBACZVJFSA-N 2 2 383.923 3.870 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccc(SC(F)(F)F)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000915228119 886070937 /nfs/dbraw/zinc/07/09/37/886070937.db2.gz CERHKPDJFFQHAF-SFHVURJKSA-N 2 2 396.478 3.807 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccc(SC(F)(F)F)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000915228119 886070963 /nfs/dbraw/zinc/07/09/63/886070963.db2.gz CERHKPDJFFQHAF-SFHVURJKSA-N 2 2 396.478 3.807 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117590120 886081166 /nfs/dbraw/zinc/08/11/66/886081166.db2.gz XPGHVWSEPNFMRA-UHFFFAOYSA-N 2 2 378.476 3.845 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](Cc3c(-c4ccccc4)nc4ccccn43)CC2)c1 ZINC000532556894 886108268 /nfs/dbraw/zinc/10/82/68/886108268.db2.gz KVUCXHQSSUHGDM-UHFFFAOYSA-N 2 2 399.498 3.727 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000119201695 886475518 /nfs/dbraw/zinc/47/55/18/886475518.db2.gz SVKAWLPBCKIDKY-MOPGFXCFSA-N 2 2 392.613 3.791 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000119201695 886475532 /nfs/dbraw/zinc/47/55/32/886475532.db2.gz SVKAWLPBCKIDKY-MOPGFXCFSA-N 2 2 392.613 3.791 20 0 GHADLP C[N@@H+]1CCC[C@H](c2cccc(C(=O)N[C@@H](Cn3cc[nH+]c3)c3ccccc3)c2)C1 ZINC001184191240 913050039 /nfs/dbraw/zinc/05/00/39/913050039.db2.gz QEZQWAHCXYPTAY-GOTSBHOMSA-N 2 2 388.515 3.864 20 0 GHADLP C[N@H+]1CCC[C@H](c2cccc(C(=O)N[C@@H](Cn3cc[nH+]c3)c3ccccc3)c2)C1 ZINC001184191240 913050048 /nfs/dbraw/zinc/05/00/48/913050048.db2.gz QEZQWAHCXYPTAY-GOTSBHOMSA-N 2 2 388.515 3.864 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000119374030 886628750 /nfs/dbraw/zinc/62/87/50/886628750.db2.gz BCNPWAPNIBXBHW-LEWJYISDSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000119374030 886628754 /nfs/dbraw/zinc/62/87/54/886628754.db2.gz BCNPWAPNIBXBHW-LEWJYISDSA-N 2 2 390.547 3.935 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000123505838 886643430 /nfs/dbraw/zinc/64/34/30/886643430.db2.gz UKOFKTNHDDGQMM-LJQANCHMSA-N 2 2 388.515 3.980 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000123505838 886643445 /nfs/dbraw/zinc/64/34/45/886643445.db2.gz UKOFKTNHDDGQMM-LJQANCHMSA-N 2 2 388.515 3.980 20 0 GHADLP C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119514755 886700897 /nfs/dbraw/zinc/70/08/97/886700897.db2.gz DMNYZFMJMJXEFT-UGKGYDQZSA-N 2 2 388.515 3.757 20 0 GHADLP O[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccc(F)cc1F ZINC000747532345 886867994 /nfs/dbraw/zinc/86/79/94/886867994.db2.gz WUBNMKGQSOXTDP-PKTZIBPZSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccc(F)cc1F ZINC000747532345 886868008 /nfs/dbraw/zinc/86/80/08/886868008.db2.gz WUBNMKGQSOXTDP-PKTZIBPZSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccc(F)cc1F ZINC000747532345 886868017 /nfs/dbraw/zinc/86/80/17/886868017.db2.gz WUBNMKGQSOXTDP-PKTZIBPZSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccc(F)cc1F ZINC000747532345 886868027 /nfs/dbraw/zinc/86/80/27/886868027.db2.gz WUBNMKGQSOXTDP-PKTZIBPZSA-N 2 2 386.486 3.986 20 0 GHADLP [NH3+][C@H](CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000237858566 886999497 /nfs/dbraw/zinc/99/94/97/886999497.db2.gz CTSMDVGFJWVVHP-MOPGFXCFSA-N 2 2 389.902 3.822 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000127470068 887064169 /nfs/dbraw/zinc/06/41/69/887064169.db2.gz YGAUNPFASYZGJN-UHFFFAOYSA-N 2 2 385.339 3.674 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1c1cccs1 ZINC000129932718 887370432 /nfs/dbraw/zinc/37/04/32/887370432.db2.gz ZLYHVXORDAUBGJ-FXAWDEMLSA-N 2 2 380.517 3.747 20 0 GHADLP C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1c1cccs1 ZINC000129932718 887370448 /nfs/dbraw/zinc/37/04/48/887370448.db2.gz ZLYHVXORDAUBGJ-FXAWDEMLSA-N 2 2 380.517 3.747 20 0 GHADLP CC1CC[NH+](CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)CC1 ZINC001168499121 887459089 /nfs/dbraw/zinc/45/90/89/887459089.db2.gz ARZVXYXXKNLZLF-CVEARBPZSA-N 2 2 393.494 3.638 20 0 GHADLP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001184364422 913153770 /nfs/dbraw/zinc/15/37/70/913153770.db2.gz RPPIMNHNYXNUTN-UHFFFAOYSA-N 2 2 380.492 3.766 20 0 GHADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2nc3ccc(Br)cc3s2)C1 ZINC000809767693 887754325 /nfs/dbraw/zinc/75/43/25/887754325.db2.gz RIMNKXZVRSPMGH-DOMZBBRYSA-N 2 2 380.355 3.975 20 0 GHADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2nc3ccc(Br)cc3s2)C1 ZINC000809767693 887754340 /nfs/dbraw/zinc/75/43/40/887754340.db2.gz RIMNKXZVRSPMGH-DOMZBBRYSA-N 2 2 380.355 3.975 20 0 GHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2nc3ccc(Br)cc3s2)C1 ZINC000809767693 887754363 /nfs/dbraw/zinc/75/43/63/887754363.db2.gz RIMNKXZVRSPMGH-DOMZBBRYSA-N 2 2 380.355 3.975 20 0 GHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2nc3ccc(Br)cc3s2)C1 ZINC000809767693 887754375 /nfs/dbraw/zinc/75/43/75/887754375.db2.gz RIMNKXZVRSPMGH-DOMZBBRYSA-N 2 2 380.355 3.975 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3CCC(c4ccccc4)CC3)CC2)CC1 ZINC000051758618 887781195 /nfs/dbraw/zinc/78/11/95/887781195.db2.gz DPXNARHDHHOHRG-UHFFFAOYSA-N 2 2 398.595 3.571 20 0 GHADLP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000809793271 887847520 /nfs/dbraw/zinc/84/75/20/887847520.db2.gz BISYKKWZYOHCEE-OALUTQOASA-N 2 2 391.462 3.778 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cccnc3Br)CC2)cc1 ZINC000865476596 888374430 /nfs/dbraw/zinc/37/44/30/888374430.db2.gz ORDHHLABZUFRHD-UHFFFAOYSA-N 2 2 389.341 3.669 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000444195211 888532535 /nfs/dbraw/zinc/53/25/35/888532535.db2.gz NOFWGHOERHBEBS-ICSRJNTNSA-N 2 2 395.551 3.535 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCSCCC(F)(F)F)CC2)cc1 ZINC000865787943 888575214 /nfs/dbraw/zinc/57/52/14/888575214.db2.gz ANSUGDZSEMDGLY-UHFFFAOYSA-N 2 2 375.504 3.997 20 0 GHADLP O=C(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000533026018 889538490 /nfs/dbraw/zinc/53/84/90/889538490.db2.gz RCAIKTBCAIMYJW-UHFFFAOYSA-N 2 2 388.515 3.885 20 0 GHADLP CCCC(O)(CCC)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124625749 889701252 /nfs/dbraw/zinc/70/12/52/889701252.db2.gz ZGCJYGREWITCRB-LEWJYISDSA-N 2 2 395.632 3.503 20 0 GHADLP CCCC(O)(CCC)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124625749 889701267 /nfs/dbraw/zinc/70/12/67/889701267.db2.gz ZGCJYGREWITCRB-LEWJYISDSA-N 2 2 395.632 3.503 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000124854357 889792275 /nfs/dbraw/zinc/79/22/75/889792275.db2.gz PYIBYLGPJVAXKQ-LEWJYISDSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000124854357 889792289 /nfs/dbraw/zinc/79/22/89/889792289.db2.gz PYIBYLGPJVAXKQ-LEWJYISDSA-N 2 2 375.532 3.543 20 0 GHADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000666755696 889844680 /nfs/dbraw/zinc/84/46/80/889844680.db2.gz CDAUZQPHOOZFNB-VLCRHTCISA-N 2 2 395.551 3.531 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000125236945 889919911 /nfs/dbraw/zinc/91/99/11/889919911.db2.gz WAIOKSZCKALLHX-UHFFFAOYSA-N 2 2 375.520 3.850 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000125236945 889919926 /nfs/dbraw/zinc/91/99/26/889919926.db2.gz WAIOKSZCKALLHX-UHFFFAOYSA-N 2 2 375.520 3.850 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000125264564 889930070 /nfs/dbraw/zinc/93/00/70/889930070.db2.gz VIQHXMUYOGOBNT-UHFFFAOYSA-N 2 2 399.373 3.781 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000125264564 889930072 /nfs/dbraw/zinc/93/00/72/889930072.db2.gz VIQHXMUYOGOBNT-UHFFFAOYSA-N 2 2 399.373 3.781 20 0 GHADLP Cc1ccccc1Nc1nc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cs1 ZINC000533240252 890053471 /nfs/dbraw/zinc/05/34/71/890053471.db2.gz DCRPOCGNCIRGBU-UHFFFAOYSA-N 2 2 386.565 3.739 20 0 GHADLP c1ccc(N2CCCCC2)c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000916835685 890271994 /nfs/dbraw/zinc/27/19/94/890271994.db2.gz UFFWWOROKFBEOF-UHFFFAOYSA-N 2 2 379.548 3.799 20 0 GHADLP CCc1cc(NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)nc(CC)[nH+]1 ZINC001184811023 913452586 /nfs/dbraw/zinc/45/25/86/913452586.db2.gz FMTGQGOWEAFKPK-UHFFFAOYSA-N 2 2 381.568 3.924 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2ccc(Br)c(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205315915 913467790 /nfs/dbraw/zinc/46/77/90/913467790.db2.gz HZQNTIGXUCUADY-ZYHUDNBSSA-N 2 2 381.236 3.764 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2ccc(Br)c(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205315915 913467796 /nfs/dbraw/zinc/46/77/96/913467796.db2.gz HZQNTIGXUCUADY-ZYHUDNBSSA-N 2 2 381.236 3.764 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@H](C)C1 ZINC000126813005 890749727 /nfs/dbraw/zinc/74/97/27/890749727.db2.gz LYUFFTGQUVOVSJ-URVUXULASA-N 3 2 393.641 3.687 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@H](C)C1 ZINC000126813005 890749739 /nfs/dbraw/zinc/74/97/39/890749739.db2.gz LYUFFTGQUVOVSJ-URVUXULASA-N 3 2 393.641 3.687 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@H](C)C1 ZINC000126813005 890749748 /nfs/dbraw/zinc/74/97/48/890749748.db2.gz LYUFFTGQUVOVSJ-URVUXULASA-N 3 2 393.641 3.687 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H](C)C1 ZINC000126813005 890749756 /nfs/dbraw/zinc/74/97/56/890749756.db2.gz LYUFFTGQUVOVSJ-URVUXULASA-N 3 2 393.641 3.687 20 0 GHADLP C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000287717458 913503692 /nfs/dbraw/zinc/50/36/92/913503692.db2.gz YKHCNYAFNXEVGS-AUSIDOKSSA-N 2 2 398.595 3.728 20 0 GHADLP COc1ccccc1[C@@H](CNC(=O)Nc1c(C)cc(C)[nH+]c1C)[NH+]1CCCC1 ZINC000455462291 890983344 /nfs/dbraw/zinc/98/33/44/890983344.db2.gz BRWNZXHXUHZORU-LJQANCHMSA-N 2 2 382.508 3.974 20 0 GHADLP COc1ccc(OC)c(CCC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000812839711 891026129 /nfs/dbraw/zinc/02/61/29/891026129.db2.gz APDYNSFBCUSNLP-UHFFFAOYSA-N 2 2 397.563 3.961 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](O)c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000812841241 891028738 /nfs/dbraw/zinc/02/87/38/891028738.db2.gz NYQDDKYXQAEDGV-NRFANRHFSA-N 2 2 391.918 3.837 20 0 GHADLP CN1CC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@H]1c1ccccc1 ZINC000812841083 891029901 /nfs/dbraw/zinc/02/99/01/891029901.db2.gz MIPTWJDHFCDVFV-DNQXCXABSA-N 2 2 378.564 3.756 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000644863491 913518834 /nfs/dbraw/zinc/51/88/34/913518834.db2.gz WZTHCNAXJDNEOG-YADHBBJMSA-N 2 2 388.515 3.665 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000644863491 913518845 /nfs/dbraw/zinc/51/88/45/913518845.db2.gz WZTHCNAXJDNEOG-YADHBBJMSA-N 2 2 388.515 3.665 20 0 GHADLP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000533674402 891111431 /nfs/dbraw/zinc/11/14/31/891111431.db2.gz RMPPJCPMMBHKSD-MMGCJVFTSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000533674402 891111437 /nfs/dbraw/zinc/11/14/37/891111437.db2.gz RMPPJCPMMBHKSD-MMGCJVFTSA-N 2 2 392.632 3.790 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000237398908 891648992 /nfs/dbraw/zinc/64/89/92/891648992.db2.gz XAGVPEYSXCZEPA-HNNXBMFYSA-N 2 2 378.923 3.854 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000497473101 891652161 /nfs/dbraw/zinc/65/21/61/891652161.db2.gz WHWNVGGPIHSJBT-NJYVYQBISA-N 2 2 387.474 3.519 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000497473101 891652169 /nfs/dbraw/zinc/65/21/69/891652169.db2.gz WHWNVGGPIHSJBT-NJYVYQBISA-N 2 2 387.474 3.519 20 0 GHADLP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000497473101 891652173 /nfs/dbraw/zinc/65/21/73/891652173.db2.gz WHWNVGGPIHSJBT-NJYVYQBISA-N 2 2 387.474 3.519 20 0 GHADLP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000497473101 891652180 /nfs/dbraw/zinc/65/21/80/891652180.db2.gz WHWNVGGPIHSJBT-NJYVYQBISA-N 2 2 387.474 3.519 20 0 GHADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000825704057 891896994 /nfs/dbraw/zinc/89/69/94/891896994.db2.gz BWQIFMRGLVCLOM-KRWDZBQOSA-N 2 2 390.535 3.744 20 0 GHADLP O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261858153 892144280 /nfs/dbraw/zinc/14/42/80/892144280.db2.gz ABGQYPHBFBFCEW-SCTDSRPQSA-N 2 2 396.560 3.561 20 0 GHADLP O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261858153 892144284 /nfs/dbraw/zinc/14/42/84/892144284.db2.gz ABGQYPHBFBFCEW-SCTDSRPQSA-N 2 2 396.560 3.561 20 0 GHADLP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000262066975 892210789 /nfs/dbraw/zinc/21/07/89/892210789.db2.gz OPDRUGFFPZGWJL-GOSISDBHSA-N 2 2 384.549 3.603 20 0 GHADLP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000262066975 892210804 /nfs/dbraw/zinc/21/08/04/892210804.db2.gz OPDRUGFFPZGWJL-GOSISDBHSA-N 2 2 384.549 3.603 20 0 GHADLP Cn1nccc1-c1ccccc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000814295256 892472440 /nfs/dbraw/zinc/47/24/40/892472440.db2.gz ZYHOTZQGACPMOF-UHFFFAOYSA-N 2 2 389.547 3.912 20 0 GHADLP C[C@H](CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)[C@H]1CCC[NH2+]C1 ZINC000262672363 892619222 /nfs/dbraw/zinc/61/92/22/892619222.db2.gz PGVPXLZLFXMENN-GJYPPUQNSA-N 2 2 395.950 3.586 20 0 GHADLP C[C@H](CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)[C@H]1CCC[NH2+]C1 ZINC000262672363 892619231 /nfs/dbraw/zinc/61/92/31/892619231.db2.gz PGVPXLZLFXMENN-GJYPPUQNSA-N 2 2 395.950 3.586 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NCCC[N@@H+](C)C3CCCCC3)cn2c1 ZINC000497914495 892728297 /nfs/dbraw/zinc/72/82/97/892728297.db2.gz ZIRCNUMRNWMFNR-UHFFFAOYSA-N 2 2 388.581 3.647 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NCCC[N@H+](C)C3CCCCC3)cn2c1 ZINC000497914495 892728308 /nfs/dbraw/zinc/72/83/08/892728308.db2.gz ZIRCNUMRNWMFNR-UHFFFAOYSA-N 2 2 388.581 3.647 20 0 GHADLP C[C@@](O)(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Br)cc1Cl ZINC000815060486 893400779 /nfs/dbraw/zinc/40/07/79/893400779.db2.gz PGHOVFBKMOBXQO-QGZVFWFLSA-N 2 2 398.732 3.913 20 0 GHADLP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)[C@H]1Sc1ccccc1 ZINC000459401164 893430677 /nfs/dbraw/zinc/43/06/77/893430677.db2.gz CSWMBXMLDAQUMA-PWRODBHTSA-N 2 2 390.593 3.559 20 0 GHADLP CCC[N@H+](Cc1ccc2nc[nH]c2c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000536671116 893501908 /nfs/dbraw/zinc/50/19/08/893501908.db2.gz ZBEXHTVVPYFQCL-UHFFFAOYSA-N 2 2 378.524 3.851 20 0 GHADLP CCC[N@@H+](Cc1ccc2nc[nH]c2c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000536671116 893501912 /nfs/dbraw/zinc/50/19/12/893501912.db2.gz ZBEXHTVVPYFQCL-UHFFFAOYSA-N 2 2 378.524 3.851 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC(Nc3[nH+]cnc4[nH]c(C)c(C)c43)CC2)cc1 ZINC000645253822 913781135 /nfs/dbraw/zinc/78/11/35/913781135.db2.gz UYUSWCVXGVIPNO-UHFFFAOYSA-N 2 2 392.507 3.610 20 0 GHADLP CCN(C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)c1cccc2ccccc21 ZINC000444814337 893736865 /nfs/dbraw/zinc/73/68/65/893736865.db2.gz DHKYJNWEFCWMFN-LJQANCHMSA-N 2 2 376.504 3.806 20 0 GHADLP CCN(C(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)c1cccc2ccccc21 ZINC000444814337 893736877 /nfs/dbraw/zinc/73/68/77/893736877.db2.gz DHKYJNWEFCWMFN-LJQANCHMSA-N 2 2 376.504 3.806 20 0 GHADLP Clc1cccc(CC[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000459549334 893781950 /nfs/dbraw/zinc/78/19/50/893781950.db2.gz RCJXGIVMRNSFTQ-HSZRJFAPSA-N 2 2 383.967 3.775 20 0 GHADLP Clc1cccc(CC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000459549334 893781964 /nfs/dbraw/zinc/78/19/64/893781964.db2.gz RCJXGIVMRNSFTQ-HSZRJFAPSA-N 2 2 383.967 3.775 20 0 GHADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000536840891 893916782 /nfs/dbraw/zinc/91/67/82/893916782.db2.gz VFFHTSAGNMQRTB-XHDPSFHLSA-N 2 2 377.838 3.595 20 0 GHADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000536840891 893916788 /nfs/dbraw/zinc/91/67/88/893916788.db2.gz VFFHTSAGNMQRTB-XHDPSFHLSA-N 2 2 377.838 3.595 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536851993 893936508 /nfs/dbraw/zinc/93/65/08/893936508.db2.gz OPHDMFSQSZVGOU-DOTOQJQBSA-N 2 2 380.879 3.982 20 0 GHADLP COc1c(Br)cc(C[N@H+](C)CCC[NH+](C)C)cc1Br ZINC000563751844 894146697 /nfs/dbraw/zinc/14/66/97/894146697.db2.gz OYFRJXLWRDHEJH-UHFFFAOYSA-N 2 2 394.151 3.604 20 0 GHADLP COc1c(Br)cc(C[N@@H+](C)CCC[NH+](C)C)cc1Br ZINC000563751844 894146700 /nfs/dbraw/zinc/14/67/00/894146700.db2.gz OYFRJXLWRDHEJH-UHFFFAOYSA-N 2 2 394.151 3.604 20 0 GHADLP CN(C(=O)C[C@@H]1CCCC1(F)F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000935078865 894172264 /nfs/dbraw/zinc/17/22/64/894172264.db2.gz NTKOINDUYRMDPM-UHOSZYNNSA-N 2 2 385.543 3.608 20 0 GHADLP CN(C(=O)C[C@@H]1CCCC1(F)F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000935078865 894172268 /nfs/dbraw/zinc/17/22/68/894172268.db2.gz NTKOINDUYRMDPM-UHOSZYNNSA-N 2 2 385.543 3.608 20 0 GHADLP COc1cc2ccccc2cc1-c1nnc(C[N@H+](C)CCCn2cc[nH+]c2)o1 ZINC000878319442 894191213 /nfs/dbraw/zinc/19/12/13/894191213.db2.gz RSYLFERUUUXAHH-UHFFFAOYSA-N 2 2 377.448 3.617 20 0 GHADLP COc1cc2ccccc2cc1-c1nnc(C[N@@H+](C)CCCn2cc[nH+]c2)o1 ZINC000878319442 894191217 /nfs/dbraw/zinc/19/12/17/894191217.db2.gz RSYLFERUUUXAHH-UHFFFAOYSA-N 2 2 377.448 3.617 20 0 GHADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000878498425 894336004 /nfs/dbraw/zinc/33/60/04/894336004.db2.gz FMQDJTVZLFCGDU-NRFANRHFSA-N 2 2 396.560 3.544 20 0 GHADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000878498425 894336017 /nfs/dbraw/zinc/33/60/17/894336017.db2.gz FMQDJTVZLFCGDU-NRFANRHFSA-N 2 2 396.560 3.544 20 0 GHADLP O[C@@]1(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000537116764 894367341 /nfs/dbraw/zinc/36/73/41/894367341.db2.gz WFAHTNFGCKFYSD-RBBKRZOGSA-N 2 2 386.923 3.780 20 0 GHADLP O[C@@]1(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000537116764 894367358 /nfs/dbraw/zinc/36/73/58/894367358.db2.gz WFAHTNFGCKFYSD-RBBKRZOGSA-N 2 2 386.923 3.780 20 0 GHADLP COc1cc2cc[nH+]c(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3ccnn3C)c2cc1F ZINC000564057314 894531211 /nfs/dbraw/zinc/53/12/11/894531211.db2.gz PUNQBAOYIMDDBA-HRAATJIYSA-N 2 2 397.498 3.635 20 0 GHADLP COc1cc2cc[nH+]c(N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3ccnn3C)c2cc1F ZINC000564057314 894531222 /nfs/dbraw/zinc/53/12/22/894531222.db2.gz PUNQBAOYIMDDBA-HRAATJIYSA-N 2 2 397.498 3.635 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1(c2ccccc2)CCCC1 ZINC000564148061 894649099 /nfs/dbraw/zinc/64/90/99/894649099.db2.gz LPFJLPQLOYWISQ-BHGTWAMESA-N 2 2 383.580 3.560 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1(c2ccccc2)CCCC1 ZINC000564148061 894649109 /nfs/dbraw/zinc/64/91/09/894649109.db2.gz LPFJLPQLOYWISQ-BHGTWAMESA-N 2 2 383.580 3.560 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)Cc1ccccc1C(F)(F)F ZINC000564850442 895282330 /nfs/dbraw/zinc/28/23/30/895282330.db2.gz ZZZZMZPVVGYPHJ-QGZVFWFLSA-N 2 2 375.394 3.584 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000564924704 895310663 /nfs/dbraw/zinc/31/06/63/895310663.db2.gz PNUCNNFGPGRYJK-JOCHJYFZSA-N 2 2 394.563 3.873 20 0 GHADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000564939213 895315289 /nfs/dbraw/zinc/31/52/89/895315289.db2.gz AEYFVRHSWBDRQL-KRWDZBQOSA-N 2 2 387.553 3.671 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2)cs1 ZINC000565047672 895368045 /nfs/dbraw/zinc/36/80/45/895368045.db2.gz OJRSCYQEFLUTTA-YLJYHZDGSA-N 2 2 384.549 3.521 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2)cs1 ZINC000565047672 895368075 /nfs/dbraw/zinc/36/80/75/895368075.db2.gz OJRSCYQEFLUTTA-YLJYHZDGSA-N 2 2 384.549 3.521 20 0 GHADLP Clc1ccc(C2=CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cn1 ZINC000817275961 895461890 /nfs/dbraw/zinc/46/18/90/895461890.db2.gz PAJUNCOFQWJSKW-UHFFFAOYSA-N 2 2 383.923 3.857 20 0 GHADLP Clc1ccc(C2=CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cn1 ZINC000817275961 895461897 /nfs/dbraw/zinc/46/18/97/895461897.db2.gz PAJUNCOFQWJSKW-UHFFFAOYSA-N 2 2 383.923 3.857 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)nc1C1CC1 ZINC000565391757 895587291 /nfs/dbraw/zinc/58/72/91/895587291.db2.gz XHGIBQGPZCRHQU-KKSFZXQISA-N 2 2 385.552 3.878 20 0 GHADLP Cc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000565514453 895690711 /nfs/dbraw/zinc/69/07/11/895690711.db2.gz ZVPUZIJAWSVBTK-QFIPXVFZSA-N 2 2 392.547 3.574 20 0 GHADLP Cc1cccc([C@@H]2CCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000565514453 895690715 /nfs/dbraw/zinc/69/07/15/895690715.db2.gz ZVPUZIJAWSVBTK-QFIPXVFZSA-N 2 2 392.547 3.574 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001135997595 895878202 /nfs/dbraw/zinc/87/82/02/895878202.db2.gz PVUGIGLDDMYHPD-JOCHJYFZSA-N 2 2 376.504 3.614 20 0 GHADLP CC(C)c1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000566114389 896118076 /nfs/dbraw/zinc/11/80/76/896118076.db2.gz HKTCVEPFUXFSLK-SIKLNZKXSA-N 2 2 397.563 3.760 20 0 GHADLP O=c1nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)[nH]c2sc(-c3ccccc3)cc21 ZINC000566242895 896195306 /nfs/dbraw/zinc/19/53/06/896195306.db2.gz NPEVLZDVFSBCFY-QGZVFWFLSA-N 2 2 394.544 3.885 20 0 GHADLP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC000818964898 896270076 /nfs/dbraw/zinc/27/00/76/896270076.db2.gz KRDYJMDRHORMJY-HXUWFJFHSA-N 2 2 395.330 3.649 20 0 GHADLP C[C@](O)(C[NH2+]CCCCn1cc[nH+]c1)c1ccc(Br)cc1Cl ZINC000819057976 896345411 /nfs/dbraw/zinc/34/54/11/896345411.db2.gz BJZREVRBVFSZFB-INIZCTEOSA-N 2 2 386.721 3.577 20 0 GHADLP Cc1cccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1C ZINC000826296288 897189834 /nfs/dbraw/zinc/18/98/34/897189834.db2.gz QDFYAMPFTKUPGF-GOSISDBHSA-N 2 2 390.535 3.799 20 0 GHADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001136513388 898118556 /nfs/dbraw/zinc/11/85/56/898118556.db2.gz XQBUHDVDKVMBIE-UHFFFAOYSA-N 2 2 380.536 3.576 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794471 898595381 /nfs/dbraw/zinc/59/53/81/898595381.db2.gz OVDHOMOCLFQOFK-AWEZNQCLSA-N 2 2 376.888 3.518 20 0 GHADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1)c1cccc2ccccc21 ZINC000111243078 898794866 /nfs/dbraw/zinc/79/48/66/898794866.db2.gz AGBBMOQJCDXHAO-MSOLQXFVSA-N 2 2 376.504 3.939 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)c1ccccc1Cl ZINC000289690003 914297187 /nfs/dbraw/zinc/29/71/87/914297187.db2.gz DUXMIDMKJTYWEY-UZLBHIALSA-N 2 2 388.943 3.607 20 0 GHADLP C[N@@H+]1CCCC[C@H]1C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001136698403 898952420 /nfs/dbraw/zinc/95/24/20/898952420.db2.gz HMKKDGYWVHGKQO-IBGZPJMESA-N 2 2 392.906 3.579 20 0 GHADLP C[N@H+]1CCCC[C@H]1C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001136698403 898952439 /nfs/dbraw/zinc/95/24/39/898952439.db2.gz HMKKDGYWVHGKQO-IBGZPJMESA-N 2 2 392.906 3.579 20 0 GHADLP Cc1cc(Oc2ccccc2)ccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001136725811 899048179 /nfs/dbraw/zinc/04/81/79/899048179.db2.gz BLGYSBDWSQVUGJ-IBGZPJMESA-N 2 2 393.531 3.686 20 0 GHADLP Cc1cc(Oc2ccccc2)ccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001136725811 899048193 /nfs/dbraw/zinc/04/81/93/899048193.db2.gz BLGYSBDWSQVUGJ-IBGZPJMESA-N 2 2 393.531 3.686 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC001136818542 899371627 /nfs/dbraw/zinc/37/16/27/899371627.db2.gz BTFYFHVAJDHQQS-UHFFFAOYSA-N 2 2 380.210 3.856 20 0 GHADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000332148672 899437129 /nfs/dbraw/zinc/43/71/29/899437129.db2.gz IAYXGNXSBSZSGD-KGLIPLIRSA-N 2 2 391.313 3.687 20 0 GHADLP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000332148672 899437138 /nfs/dbraw/zinc/43/71/38/899437138.db2.gz IAYXGNXSBSZSGD-KGLIPLIRSA-N 2 2 391.313 3.687 20 0 GHADLP CC(C)[C@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000824199331 899450900 /nfs/dbraw/zinc/45/09/00/899450900.db2.gz IBJNCMUQRQGAKR-QFIPXVFZSA-N 2 2 390.535 3.818 20 0 GHADLP CCn1nc(C)c(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000824344900 899542904 /nfs/dbraw/zinc/54/29/04/899542904.db2.gz VEOOMJNGDYDCSD-VZKPYBMVSA-N 2 2 387.959 3.964 20 0 GHADLP CCn1nc(C)c(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000824344900 899542910 /nfs/dbraw/zinc/54/29/10/899542910.db2.gz VEOOMJNGDYDCSD-VZKPYBMVSA-N 2 2 387.959 3.964 20 0 GHADLP C[N@@H+]1CCC[C@H](C[NH2+]C[C@](C)(O)C(F)(F)F)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000570836093 899628516 /nfs/dbraw/zinc/62/85/16/899628516.db2.gz COFXFUFDESWALN-BMFZPTHFSA-N 2 2 398.391 3.991 20 0 GHADLP C[N@H+]1CCC[C@H](C[NH2+]C[C@](C)(O)C(F)(F)F)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000570836093 899628521 /nfs/dbraw/zinc/62/85/21/899628521.db2.gz COFXFUFDESWALN-BMFZPTHFSA-N 2 2 398.391 3.991 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)cn1)CC2 ZINC001136926728 899780478 /nfs/dbraw/zinc/78/04/78/899780478.db2.gz KNTCSNCPLYOYBK-SFHVURJKSA-N 2 2 375.900 3.584 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)cn1)CC2 ZINC001136926728 899780486 /nfs/dbraw/zinc/78/04/86/899780486.db2.gz KNTCSNCPLYOYBK-SFHVURJKSA-N 2 2 375.900 3.584 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ncc(-c2ccccc2Br)o1 ZINC000844221489 900588954 /nfs/dbraw/zinc/58/89/54/900588954.db2.gz OHMONVBUJZGKBE-AGUYFDCRSA-N 2 2 376.298 3.948 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ncc(-c2ccccc2Br)o1 ZINC000844221489 900588962 /nfs/dbraw/zinc/58/89/62/900588962.db2.gz OHMONVBUJZGKBE-AGUYFDCRSA-N 2 2 376.298 3.948 20 0 GHADLP COc1cccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)c1OC ZINC000573688400 900597060 /nfs/dbraw/zinc/59/70/60/900597060.db2.gz JCCWUEXGYKTTRH-MAUKXSAKSA-N 2 2 387.549 3.791 20 0 GHADLP COc1cccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)c1OC ZINC000573688400 900597066 /nfs/dbraw/zinc/59/70/66/900597066.db2.gz JCCWUEXGYKTTRH-MAUKXSAKSA-N 2 2 387.549 3.791 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc5cccc(Cl)c5n4)C[C@@H]3C2)cn1 ZINC001137222914 900679072 /nfs/dbraw/zinc/67/90/72/900679072.db2.gz FYAJACFYCZIUOB-MOPGFXCFSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc5cccc(Cl)c5n4)C[C@@H]3C2)cn1 ZINC001137222914 900679079 /nfs/dbraw/zinc/67/90/79/900679079.db2.gz FYAJACFYCZIUOB-MOPGFXCFSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc5cccc(Cl)c5n4)C[C@@H]3C2)cn1 ZINC001137222914 900679088 /nfs/dbraw/zinc/67/90/88/900679088.db2.gz FYAJACFYCZIUOB-MOPGFXCFSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc5cccc(Cl)c5n4)C[C@@H]3C2)cn1 ZINC001137222914 900679093 /nfs/dbraw/zinc/67/90/93/900679093.db2.gz FYAJACFYCZIUOB-MOPGFXCFSA-N 2 2 395.938 3.576 20 0 GHADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c2ccccc21 ZINC000282947696 900775066 /nfs/dbraw/zinc/77/50/66/900775066.db2.gz BQBAVXOQVJJAQZ-LEWJYISDSA-N 2 2 390.487 3.847 20 0 GHADLP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000574832404 901023529 /nfs/dbraw/zinc/02/35/29/901023529.db2.gz XSTXWHCWOGGPSF-UHFFFAOYSA-N 2 2 377.492 3.811 20 0 GHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000574832404 901023535 /nfs/dbraw/zinc/02/35/35/901023535.db2.gz XSTXWHCWOGGPSF-UHFFFAOYSA-N 2 2 377.492 3.811 20 0 GHADLP COc1cc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)ccc1Br ZINC001144228761 901334785 /nfs/dbraw/zinc/33/47/85/901334785.db2.gz MBHMNJQPHLPNHM-UHFFFAOYSA-N 2 2 390.325 3.900 20 0 GHADLP CCc1nc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cs1 ZINC000575851674 901385795 /nfs/dbraw/zinc/38/57/95/901385795.db2.gz JGESPIBTALCOSY-LJQANCHMSA-N 2 2 385.577 3.724 20 0 GHADLP CCc1nc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cs1 ZINC000575851674 901385806 /nfs/dbraw/zinc/38/58/06/901385806.db2.gz JGESPIBTALCOSY-LJQANCHMSA-N 2 2 385.577 3.724 20 0 GHADLP c1ccn(-c2ccc(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)cc2)c1 ZINC001144240666 901395319 /nfs/dbraw/zinc/39/53/19/901395319.db2.gz DHQLZJGCOOLTAN-UHFFFAOYSA-N 2 2 391.515 3.937 20 0 GHADLP c1ccn(-c2ccc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)cc2)c1 ZINC001144240666 901395327 /nfs/dbraw/zinc/39/53/27/901395327.db2.gz DHQLZJGCOOLTAN-UHFFFAOYSA-N 2 2 391.515 3.937 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc(-n4cccc4)cc2)CC3)n1 ZINC001144246909 901449687 /nfs/dbraw/zinc/44/96/87/901449687.db2.gz KDVYWRLKLBHJDQ-UHFFFAOYSA-N 2 2 389.547 3.841 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2ccc(-n4cccc4)cc2)CC3)n1 ZINC001144246909 901449696 /nfs/dbraw/zinc/44/96/96/901449696.db2.gz KDVYWRLKLBHJDQ-UHFFFAOYSA-N 2 2 389.547 3.841 20 0 GHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cc(F)cc(Cl)c3)CC2)C[C@H](C)O1 ZINC000576029750 901606281 /nfs/dbraw/zinc/60/62/81/901606281.db2.gz ZAQVFDPEEJYMGO-HOTGVXAUSA-N 2 2 384.923 3.569 20 0 GHADLP CC[NH2+]Cc1cccc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000576210575 901816930 /nfs/dbraw/zinc/81/69/30/901816930.db2.gz ZIZHDQDVQRDBIU-GOSISDBHSA-N 2 2 381.524 3.740 20 0 GHADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000576345742 901966841 /nfs/dbraw/zinc/96/68/41/901966841.db2.gz NPXNVXXBTDTYSG-ICSRJNTNSA-N 2 2 378.520 3.504 20 0 GHADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000576345742 901966854 /nfs/dbraw/zinc/96/68/54/901966854.db2.gz NPXNVXXBTDTYSG-ICSRJNTNSA-N 2 2 378.520 3.504 20 0 GHADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000333368907 902042160 /nfs/dbraw/zinc/04/21/60/902042160.db2.gz IPTWVJUHJOHLJJ-IBGZPJMESA-N 2 2 393.535 3.979 20 0 GHADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)C2)C1 ZINC000333571971 902198651 /nfs/dbraw/zinc/19/86/51/902198651.db2.gz YEWHWLGZKPHFHJ-HSZRJFAPSA-N 2 2 391.519 3.551 20 0 GHADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)C2)C1 ZINC000333571971 902198658 /nfs/dbraw/zinc/19/86/58/902198658.db2.gz YEWHWLGZKPHFHJ-HSZRJFAPSA-N 2 2 391.519 3.551 20 0 GHADLP COc1cc(Cl)cc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001144488207 902262739 /nfs/dbraw/zinc/26/27/39/902262739.db2.gz WOTQLTGUTQFBKF-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP COc1cc(Cl)cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001144488207 902262748 /nfs/dbraw/zinc/26/27/48/902262748.db2.gz WOTQLTGUTQFBKF-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP COc1cc(F)c(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1OC ZINC000845945608 902548427 /nfs/dbraw/zinc/54/84/27/902548427.db2.gz ZRDKXBXKRSPVML-UHFFFAOYSA-N 2 2 387.499 3.668 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCN1C(=O)OC(C)(C)C ZINC000775047836 914760213 /nfs/dbraw/zinc/76/02/13/914760213.db2.gz NMIOSXZHQCKXCL-GJZGRUSLSA-N 2 2 376.526 3.811 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCN1C(=O)OC(C)(C)C ZINC000775047832 914759912 /nfs/dbraw/zinc/75/99/12/914759912.db2.gz NMIOSXZHQCKXCL-CABCVRRESA-N 2 2 376.526 3.811 20 0 GHADLP COc1ccc(Cl)c2c1C[C@H](N(c1cc[nH+]cc1F)C1CC[NH2+]CC1)CC2 ZINC001171334344 904118404 /nfs/dbraw/zinc/11/84/04/904118404.db2.gz QZLDYWWXTRTRSD-OAHLLOKOSA-N 2 2 389.902 3.999 20 0 GHADLP CC(C)C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)n1cc[nH+]c1 ZINC001148643355 904135198 /nfs/dbraw/zinc/13/51/98/904135198.db2.gz OBCNVCNPUHKQLV-UPVQGACJSA-N 2 2 394.563 3.985 20 0 GHADLP CC(C)C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)n1cc[nH+]c1 ZINC001148643355 904135200 /nfs/dbraw/zinc/13/52/00/904135200.db2.gz OBCNVCNPUHKQLV-UPVQGACJSA-N 2 2 394.563 3.985 20 0 GHADLP [NH3+]C[C@@H]([NH2+][C@H]1CCc2c(F)cc(F)cc2C1)c1ccc(Br)cc1 ZINC001171344290 904320863 /nfs/dbraw/zinc/32/08/63/904320863.db2.gz BZIDSQMMTSJYOQ-MAUKXSAKSA-N 2 2 381.264 3.874 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282815969 904325591 /nfs/dbraw/zinc/32/55/91/904325591.db2.gz AJFAGRDDYZGJII-IBGZPJMESA-N 2 2 390.535 3.797 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282815969 904325603 /nfs/dbraw/zinc/32/56/03/904325603.db2.gz AJFAGRDDYZGJII-IBGZPJMESA-N 2 2 390.535 3.797 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282815973 904325903 /nfs/dbraw/zinc/32/59/03/904325903.db2.gz AJFAGRDDYZGJII-LJQANCHMSA-N 2 2 390.535 3.797 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282815973 904325913 /nfs/dbraw/zinc/32/59/13/904325913.db2.gz AJFAGRDDYZGJII-LJQANCHMSA-N 2 2 390.535 3.797 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@@H]1CCc3c(F)cc(F)cc3C1)CC2 ZINC001171370562 904370788 /nfs/dbraw/zinc/37/07/88/904370788.db2.gz KZFYYVOQJRHLFC-QGZVFWFLSA-N 2 2 388.506 3.719 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@@H]1CCc3c(F)cc(F)cc3C1)CC2 ZINC001171370562 904370803 /nfs/dbraw/zinc/37/08/03/904370803.db2.gz KZFYYVOQJRHLFC-QGZVFWFLSA-N 2 2 388.506 3.719 20 0 GHADLP [NH3+]CCCC[C@H]([NH2+][C@H]1CCc2c(F)cccc2C1)C(=O)OCc1ccccc1 ZINC001171403770 904511398 /nfs/dbraw/zinc/51/13/98/904511398.db2.gz CEINZNAHMDQGJX-UGKGYDQZSA-N 2 2 384.495 3.514 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cn2c3c(sc2=O)CCCC3)CC1)CC(C)C ZINC000773273021 904641577 /nfs/dbraw/zinc/64/15/77/904641577.db2.gz VQLUKTAKYHWINY-UHFFFAOYSA-N 2 2 379.614 3.826 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cn2c3c(sc2=O)CCCC3)CC1)CC(C)C ZINC000773273021 904641583 /nfs/dbraw/zinc/64/15/83/904641583.db2.gz VQLUKTAKYHWINY-UHFFFAOYSA-N 2 2 379.614 3.826 20 0 GHADLP Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1)CC[NH2+]CC2 ZINC001171605249 904867128 /nfs/dbraw/zinc/86/71/28/904867128.db2.gz JGUAAULVJQRNMZ-LPHOPBHVSA-N 2 2 390.572 3.866 20 0 GHADLP Brc1ccc(N2CCC([NH+]3CCC(n4cc[nH+]c4)CC3)CC2)cc1 ZINC001171997451 905210948 /nfs/dbraw/zinc/21/09/48/905210948.db2.gz YQIQWCYYRHOFIJ-UHFFFAOYSA-N 2 2 389.341 3.952 20 0 GHADLP Cc1cccc(N2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)n1 ZINC001171976231 905223022 /nfs/dbraw/zinc/22/30/22/905223022.db2.gz JKUXPYBMVLHGEW-JOCHJYFZSA-N 2 2 378.564 3.955 20 0 GHADLP Cc1cccc(N2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)n1 ZINC001171976231 905223037 /nfs/dbraw/zinc/22/30/37/905223037.db2.gz JKUXPYBMVLHGEW-JOCHJYFZSA-N 2 2 378.564 3.955 20 0 GHADLP CCN1CC[C@@]2(CCC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1=O ZINC001171978488 905225662 /nfs/dbraw/zinc/22/56/62/905225662.db2.gz DLRXMSHCWNWDNT-ZJSXRUAMSA-N 2 2 383.580 3.764 20 0 GHADLP CCN1CC[C@@]2(CCC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1=O ZINC001171978488 905225670 /nfs/dbraw/zinc/22/56/70/905225670.db2.gz DLRXMSHCWNWDNT-ZJSXRUAMSA-N 2 2 383.580 3.764 20 0 GHADLP CCN1CC[C@@]2(CCC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)C1=O ZINC001171978488 905225684 /nfs/dbraw/zinc/22/56/84/905225684.db2.gz DLRXMSHCWNWDNT-ZJSXRUAMSA-N 2 2 383.580 3.764 20 0 GHADLP CCN1CC[C@@]2(CCC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)C1=O ZINC001171978488 905225701 /nfs/dbraw/zinc/22/57/01/905225701.db2.gz DLRXMSHCWNWDNT-ZJSXRUAMSA-N 2 2 383.580 3.764 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCc3[nH+]ccn3CC2)CC12CCCCC2 ZINC001172061805 905325555 /nfs/dbraw/zinc/32/55/55/905325555.db2.gz NUMJSLFYSWIZBF-SFHVURJKSA-N 2 2 388.556 3.844 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)CC12CCCCC2 ZINC001172061805 905325574 /nfs/dbraw/zinc/32/55/74/905325574.db2.gz NUMJSLFYSWIZBF-SFHVURJKSA-N 2 2 388.556 3.844 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@H]2CSc4ccccc4C2)CC3)cn1 ZINC001172202405 905397596 /nfs/dbraw/zinc/39/75/96/905397596.db2.gz SGBCNLNWSFMYHO-HXUWFJFHSA-N 2 2 382.577 3.568 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@H]2CSc4ccccc4C2)CC3)cn1 ZINC001172202405 905397621 /nfs/dbraw/zinc/39/76/21/905397621.db2.gz SGBCNLNWSFMYHO-HXUWFJFHSA-N 2 2 382.577 3.568 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@H](n3cc[nH+]c3[C@H]3CCC[NH2+]C3)CC[C@H]2C1 ZINC001172532621 905593971 /nfs/dbraw/zinc/59/39/71/905593971.db2.gz UQNOQJYZEQIGMU-MYGLTJDJSA-N 2 2 392.547 3.854 20 0 GHADLP CC1CC[NH+](CC[NH2+][C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001172512443 905605424 /nfs/dbraw/zinc/60/54/24/905605424.db2.gz QNZAMXLRFMJWPE-VABKMULXSA-N 2 2 383.580 3.639 20 0 GHADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001172873091 905946562 /nfs/dbraw/zinc/94/65/62/905946562.db2.gz JYCKODTYYUSTDK-XKQJLSEDSA-N 2 2 399.988 3.747 20 0 GHADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172954261 906058399 /nfs/dbraw/zinc/05/83/99/906058399.db2.gz MHBVLKPEDBSLAP-KZNAEPCWSA-N 2 2 376.545 3.803 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-n3ccnc3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000177263759 906079906 /nfs/dbraw/zinc/07/99/06/906079906.db2.gz CUVDSFXVYNTONQ-DENIHFKCSA-N 2 2 375.520 3.752 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-n3ccnc3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000177263759 906079920 /nfs/dbraw/zinc/07/99/20/906079920.db2.gz CUVDSFXVYNTONQ-DENIHFKCSA-N 2 2 375.520 3.752 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-n3ccnc3)nc2)CC[NH+]1Cc1ccccc1 ZINC000177263759 906079936 /nfs/dbraw/zinc/07/99/36/906079936.db2.gz CUVDSFXVYNTONQ-DENIHFKCSA-N 2 2 375.520 3.752 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3ccnc3)nc2)CC[NH+]1Cc1ccccc1 ZINC000177263759 906079949 /nfs/dbraw/zinc/07/99/49/906079949.db2.gz CUVDSFXVYNTONQ-DENIHFKCSA-N 2 2 375.520 3.752 20 0 GHADLP C[C@H]1CC[C@@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001173058780 906135300 /nfs/dbraw/zinc/13/53/00/906135300.db2.gz ZUTDTMVAGKNJRN-DLBZAZTESA-N 2 2 375.513 3.713 20 0 GHADLP C[C@H]1CC[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CN1C(=O)OC(C)(C)C ZINC001173068752 906159999 /nfs/dbraw/zinc/15/99/99/906159999.db2.gz PKAPEZCLGKTDHK-HKUYNNGSSA-N 2 2 388.556 3.676 20 0 GHADLP C[C@@H]1CC[C@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CN1C(=O)OC(C)(C)C ZINC001173073337 906168043 /nfs/dbraw/zinc/16/80/43/906168043.db2.gz NEIRFABVXXIDGS-WBVHZDCISA-N 2 2 392.519 3.567 20 0 GHADLP Cc1ccc2oc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2n1 ZINC000178876863 906397005 /nfs/dbraw/zinc/39/70/05/906397005.db2.gz NIMUTEGQAMYOBZ-UXHICEINSA-N 2 2 398.551 3.545 20 0 GHADLP Cc1ccc2oc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2n1 ZINC000178876863 906397017 /nfs/dbraw/zinc/39/70/17/906397017.db2.gz NIMUTEGQAMYOBZ-UXHICEINSA-N 2 2 398.551 3.545 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)C1 ZINC001173649264 906634852 /nfs/dbraw/zinc/63/48/52/906634852.db2.gz GLNVJJKMSBCHAH-XLIONFOSSA-N 2 2 376.516 3.810 20 0 GHADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@H]1C(F)(F)F ZINC000629564323 906870856 /nfs/dbraw/zinc/87/08/56/906870856.db2.gz SOZMHSBGILQORJ-PKOBYXMFSA-N 2 2 391.437 3.898 20 0 GHADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@H]1C(F)(F)F ZINC000629564323 906870865 /nfs/dbraw/zinc/87/08/65/906870865.db2.gz SOZMHSBGILQORJ-PKOBYXMFSA-N 2 2 391.437 3.898 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000181774279 907076763 /nfs/dbraw/zinc/07/67/63/907076763.db2.gz KCYGMQOAEFRWPC-GJZGRUSLSA-N 2 2 397.357 3.609 20 0 GHADLP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000299433670 921309362 /nfs/dbraw/zinc/30/93/62/921309362.db2.gz FWDWWACUCFKTTC-IBGZPJMESA-N 2 2 394.544 3.635 20 0 GHADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000299433670 921309363 /nfs/dbraw/zinc/30/93/63/921309363.db2.gz FWDWWACUCFKTTC-IBGZPJMESA-N 2 2 394.544 3.635 20 0 GHADLP Cc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1NC(=O)CC[NH+](C)C ZINC000183780724 907456646 /nfs/dbraw/zinc/45/66/46/907456646.db2.gz NGHIPZDXDQEBSK-UHFFFAOYSA-N 2 2 377.492 3.683 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000192154188 907476249 /nfs/dbraw/zinc/47/62/49/907476249.db2.gz NPOOIQJBJJALIO-KRWDZBQOSA-N 2 2 376.460 3.988 20 0 GHADLP CC[C@](C)([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1nc(C)cs1 ZINC000631079920 907585372 /nfs/dbraw/zinc/58/53/72/907585372.db2.gz LXCKBUPIPDGGMB-NRFANRHFSA-N 2 2 389.565 3.578 20 0 GHADLP CC[NH+](CC)CCOC(=O)c1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175716873 907700324 /nfs/dbraw/zinc/70/03/24/907700324.db2.gz AQDWQBNEKQZVFH-UHFFFAOYSA-N 2 2 396.413 3.925 20 0 GHADLP COc1cccc2c1OCCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000631564620 907759435 /nfs/dbraw/zinc/75/94/35/907759435.db2.gz WKSHZAZTWKXKQA-OAQYLSRUSA-N 2 2 382.504 3.531 20 0 GHADLP C[C@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000631722919 907824473 /nfs/dbraw/zinc/82/44/73/907824473.db2.gz KUJZCVMWAGLCDM-KRWDZBQOSA-N 2 2 379.533 3.671 20 0 GHADLP C[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000187134052 908045256 /nfs/dbraw/zinc/04/52/56/908045256.db2.gz VRLLZOKSGAVBCF-OAQYLSRUSA-N 2 2 391.918 3.546 20 0 GHADLP C[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000187134052 908045273 /nfs/dbraw/zinc/04/52/73/908045273.db2.gz VRLLZOKSGAVBCF-OAQYLSRUSA-N 2 2 391.918 3.546 20 0 GHADLP C[NH+](C)CCCOc1ccc(Nc2ccc3[nH+]cc(Br)n3c2)cn1 ZINC001176354819 908069886 /nfs/dbraw/zinc/06/98/86/908069886.db2.gz SDSHFEAEEDZPQW-UHFFFAOYSA-N 2 2 390.285 3.566 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC001177045977 908381881 /nfs/dbraw/zinc/38/18/81/908381881.db2.gz NGNWEKLWQZKMMF-JOCHJYFZSA-N 2 2 387.543 3.686 20 0 GHADLP CC[NH+]1CCC([NH2+]Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001177086544 908403792 /nfs/dbraw/zinc/40/37/92/908403792.db2.gz KZTHETSKIQBESN-UHFFFAOYSA-N 2 2 379.570 3.615 20 0 GHADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)c(C)cc2Br)C1 ZINC001177318940 908524730 /nfs/dbraw/zinc/52/47/30/908524730.db2.gz LOZSYEDJYSSVHA-GFCCVEGCSA-N 2 2 390.163 3.951 20 0 GHADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)c(C)cc2Br)C1 ZINC001177318940 908524737 /nfs/dbraw/zinc/52/47/37/908524737.db2.gz LOZSYEDJYSSVHA-GFCCVEGCSA-N 2 2 390.163 3.951 20 0 GHADLP Brc1ccc(-n2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cn2)cc1 ZINC001177334742 908531527 /nfs/dbraw/zinc/53/15/27/908531527.db2.gz ZFPFCBHSRXDEJI-UHFFFAOYSA-N 2 2 389.341 3.599 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC001177594203 908656260 /nfs/dbraw/zinc/65/62/60/908656260.db2.gz CWWSWWDEZDBPJO-OAHLLOKOSA-N 2 2 376.526 3.671 20 0 GHADLP CC(=O)c1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000194408319 908942195 /nfs/dbraw/zinc/94/21/95/908942195.db2.gz RTIHUXRBTQGVHZ-XZOQPEGZSA-N 2 2 399.579 3.607 20 0 GHADLP CC(=O)c1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000194408319 908942205 /nfs/dbraw/zinc/94/22/05/908942205.db2.gz RTIHUXRBTQGVHZ-XZOQPEGZSA-N 2 2 399.579 3.607 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)n1cc[nH+]c1 ZINC000635281244 909202265 /nfs/dbraw/zinc/20/22/65/909202265.db2.gz WIPBOALTBWFIOT-WOJBJXKFSA-N 2 2 396.535 3.575 20 0 GHADLP Clc1cc(C[NH2+]CCCC2CCOCC2)ccc1OCCn1cc[nH+]c1 ZINC001178805512 909236462 /nfs/dbraw/zinc/23/64/62/909236462.db2.gz MGNFIGIMDSWJOC-UHFFFAOYSA-N 2 2 377.916 3.912 20 0 GHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000266982520 909357083 /nfs/dbraw/zinc/35/70/83/909357083.db2.gz NTBKLVCFXLSAKP-UHFFFAOYSA-N 2 2 395.551 3.528 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000267345016 909459074 /nfs/dbraw/zinc/45/90/74/909459074.db2.gz CCMAXRQJVRVZAD-AUSIDOKSSA-N 2 2 388.515 3.572 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000267345016 909459086 /nfs/dbraw/zinc/45/90/86/909459086.db2.gz CCMAXRQJVRVZAD-AUSIDOKSSA-N 2 2 388.515 3.572 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)CC(F)(F)F ZINC001180149413 909989173 /nfs/dbraw/zinc/98/91/73/909989173.db2.gz XKTJTBHQJWWRST-CVEARBPZSA-N 2 2 393.494 3.782 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)CC(F)(F)F ZINC001180149413 909989179 /nfs/dbraw/zinc/98/91/79/909989179.db2.gz XKTJTBHQJWWRST-CVEARBPZSA-N 2 2 393.494 3.782 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)CC(F)(F)F ZINC001180149416 909989380 /nfs/dbraw/zinc/98/93/80/909989380.db2.gz XKTJTBHQJWWRST-JKSUJKDBSA-N 2 2 393.494 3.782 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)CC(F)(F)F ZINC001180149416 909989391 /nfs/dbraw/zinc/98/93/91/909989391.db2.gz XKTJTBHQJWWRST-JKSUJKDBSA-N 2 2 393.494 3.782 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)cn1 ZINC000268822990 910034754 /nfs/dbraw/zinc/03/47/54/910034754.db2.gz YFUVOYSRWCJFEE-MRXNPFEDSA-N 2 2 392.507 3.956 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(-c3ccccn3)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC001180288701 910075147 /nfs/dbraw/zinc/07/51/47/910075147.db2.gz KOUOTZGDMCDQHA-GHTZIAJQSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(-c3ccccn3)n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC001180288701 910075162 /nfs/dbraw/zinc/07/51/62/910075162.db2.gz KOUOTZGDMCDQHA-GHTZIAJQSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(-c3ccccn3)n[nH]2)CC[NH+]1Cc1ccccc1 ZINC001180288701 910075170 /nfs/dbraw/zinc/07/51/70/910075170.db2.gz KOUOTZGDMCDQHA-GHTZIAJQSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(-c3ccccn3)n[nH]2)CC[NH+]1Cc1ccccc1 ZINC001180288701 910075184 /nfs/dbraw/zinc/07/51/84/910075184.db2.gz KOUOTZGDMCDQHA-GHTZIAJQSA-N 2 2 375.520 3.957 20 0 GHADLP CO[C@H](C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCOC1 ZINC000638534013 910173695 /nfs/dbraw/zinc/17/36/95/910173695.db2.gz NXTCNTNBPVRFKB-LADGPHEKSA-N 2 2 391.515 3.740 20 0 GHADLP Cc1ccccc1C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CC1 ZINC001180558748 910236874 /nfs/dbraw/zinc/23/68/74/910236874.db2.gz SBTBICDIOZQCKY-UHFFFAOYSA-N 2 2 380.532 3.871 20 0 GHADLP Cc1ccccc1C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CC1 ZINC001180558748 910236893 /nfs/dbraw/zinc/23/68/93/910236893.db2.gz SBTBICDIOZQCKY-UHFFFAOYSA-N 2 2 380.532 3.871 20 0 GHADLP C[C@H]([NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1)c1nnc2n1CCC2 ZINC000638908269 910273753 /nfs/dbraw/zinc/27/37/53/910273753.db2.gz ZTTVDPFNGYPSJY-FDDCHVKYSA-N 2 2 381.568 3.813 20 0 GHADLP C[C@H]([NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)c1nnc2n1CCC2 ZINC000638908269 910273766 /nfs/dbraw/zinc/27/37/66/910273766.db2.gz ZTTVDPFNGYPSJY-FDDCHVKYSA-N 2 2 381.568 3.813 20 0 GHADLP CN(C(=O)c1cccc2cnccc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000270018065 910409374 /nfs/dbraw/zinc/40/93/74/910409374.db2.gz CYQSEIIDNIGYLF-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cccc2cnccc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000270018065 910409378 /nfs/dbraw/zinc/40/93/78/910409378.db2.gz CYQSEIIDNIGYLF-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP C[C@H]1C[C@H](N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC[N@@H+]1C ZINC000270177871 910471436 /nfs/dbraw/zinc/47/14/36/910471436.db2.gz CKKSVIHXXIOXAP-FUHWJXTLSA-N 2 2 379.508 3.548 20 0 GHADLP C[C@H]1C[C@H](N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC[N@H+]1C ZINC000270177871 910471441 /nfs/dbraw/zinc/47/14/41/910471441.db2.gz CKKSVIHXXIOXAP-FUHWJXTLSA-N 2 2 379.508 3.548 20 0 GHADLP C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001181348341 910741955 /nfs/dbraw/zinc/74/19/55/910741955.db2.gz CUZRNTLXFNGZJE-GWCFXTLKSA-N 2 2 380.357 3.842 20 0 GHADLP C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001181348341 910741966 /nfs/dbraw/zinc/74/19/66/910741966.db2.gz CUZRNTLXFNGZJE-GWCFXTLKSA-N 2 2 380.357 3.842 20 0 GHADLP COc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1OCc1ccncc1 ZINC000271179485 910805735 /nfs/dbraw/zinc/80/57/35/910805735.db2.gz HGGRRUUCIDJTSV-UHFFFAOYSA-N 2 2 378.476 3.772 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000271466987 910916229 /nfs/dbraw/zinc/91/62/29/910916229.db2.gz GWZIORHXGXATJQ-YADARESESA-N 2 2 395.547 3.965 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000283129334 911380807 /nfs/dbraw/zinc/38/08/07/911380807.db2.gz ZPWYHJMAOJWHME-NRFANRHFSA-N 2 2 375.520 3.658 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000283129334 911380828 /nfs/dbraw/zinc/38/08/28/911380828.db2.gz ZPWYHJMAOJWHME-NRFANRHFSA-N 2 2 375.520 3.658 20 0 GHADLP Cn1c2ccc(F)cc2nc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000774253979 911563030 /nfs/dbraw/zinc/56/30/30/911563030.db2.gz PFSUAMIGUGUVHV-OWZKRDHZSA-N 2 2 378.495 3.998 20 0 GHADLP Cn1c2ccc(F)cc2nc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000774253979 911563045 /nfs/dbraw/zinc/56/30/45/911563045.db2.gz PFSUAMIGUGUVHV-OWZKRDHZSA-N 2 2 378.495 3.998 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001182634387 911911009 /nfs/dbraw/zinc/91/10/09/911911009.db2.gz LLBIABCAEWQRPU-ZTFGCOKTSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001182634387 911911018 /nfs/dbraw/zinc/91/10/18/911911018.db2.gz LLBIABCAEWQRPU-ZTFGCOKTSA-N 2 2 394.357 3.773 20 0 GHADLP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001186930744 914878510 /nfs/dbraw/zinc/87/85/10/914878510.db2.gz NQKOEADOXQWDPY-HXUWFJFHSA-N 2 2 391.506 3.618 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647288080 915136792 /nfs/dbraw/zinc/13/67/92/915136792.db2.gz JGPOOUBQJTWGMQ-MSOLQXFVSA-N 2 2 399.558 3.912 20 0 GHADLP CC[C@@H]1C[N@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000647936414 915442018 /nfs/dbraw/zinc/44/20/18/915442018.db2.gz DGKNVGGVNXOQCH-CNDZOEFASA-N 2 2 385.939 3.605 20 0 GHADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000647936414 915442033 /nfs/dbraw/zinc/44/20/33/915442033.db2.gz DGKNVGGVNXOQCH-CNDZOEFASA-N 2 2 385.939 3.605 20 0 GHADLP C[C@@H]1[C@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000648768999 915874267 /nfs/dbraw/zinc/87/42/67/915874267.db2.gz BJQGYNCFULMTPK-XMSQKQJNSA-N 2 2 388.515 3.555 20 0 GHADLP C[C@@H]1[C@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000648768999 915874274 /nfs/dbraw/zinc/87/42/74/915874274.db2.gz BJQGYNCFULMTPK-XMSQKQJNSA-N 2 2 388.515 3.555 20 0 GHADLP O=C1N(CCn2cc[nH+]c2)CC[C@]12CCC[N@@H+](Cc1ccc(Cl)s1)CC2 ZINC001275694821 916069226 /nfs/dbraw/zinc/06/92/26/916069226.db2.gz BUCJHKVVAGIONK-LJQANCHMSA-N 2 2 392.956 3.503 20 0 GHADLP O=C1N(CCn2cc[nH+]c2)CC[C@]12CCC[N@H+](Cc1ccc(Cl)s1)CC2 ZINC001275694821 916069241 /nfs/dbraw/zinc/06/92/41/916069241.db2.gz BUCJHKVVAGIONK-LJQANCHMSA-N 2 2 392.956 3.503 20 0 GHADLP Brc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)ccn1 ZINC000293952744 916489317 /nfs/dbraw/zinc/48/93/17/916489317.db2.gz BXVYLLRXVHTJQW-UHFFFAOYSA-N 2 2 375.314 3.757 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cc(C(F)F)ccc3F)CC2)CC1 ZINC000650378871 916937401 /nfs/dbraw/zinc/93/74/01/916937401.db2.gz VPKWBVYDCCYESU-UHFFFAOYSA-N 2 2 398.473 3.787 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cc(C(F)F)ccc3F)CC2)CC1 ZINC000650378871 916937408 /nfs/dbraw/zinc/93/74/08/916937408.db2.gz VPKWBVYDCCYESU-UHFFFAOYSA-N 2 2 398.473 3.787 20 0 GHADLP O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650416445 916970294 /nfs/dbraw/zinc/97/02/94/916970294.db2.gz HUKNKSNZCZMBAM-UHFFFAOYSA-N 2 2 395.532 3.844 20 0 GHADLP CC[NH+](CC)CCOc1ccc(-c2noc(Cc3cn4c([nH+]3)CCCC4)n2)cc1 ZINC000650529669 917064509 /nfs/dbraw/zinc/06/45/09/917064509.db2.gz ZAKLTRVIBLXMBR-UHFFFAOYSA-N 2 2 395.507 3.581 20 0 GHADLP CCC[N@@H+]1CCc2c(N)sc(NC(=O)c3ccccc3-n3cc[nH+]c3)c2C1 ZINC001190085885 917119175 /nfs/dbraw/zinc/11/91/75/917119175.db2.gz MNNZPKCDNMKQCL-UHFFFAOYSA-N 2 2 381.505 3.536 20 0 GHADLP CCC[N@H+]1CCc2c(N)sc(NC(=O)c3ccccc3-n3cc[nH+]c3)c2C1 ZINC001190085885 917119182 /nfs/dbraw/zinc/11/91/82/917119182.db2.gz MNNZPKCDNMKQCL-UHFFFAOYSA-N 2 2 381.505 3.536 20 0 GHADLP CC[N@H+](CCCNC(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CCCCC1 ZINC000650598455 917136823 /nfs/dbraw/zinc/13/68/23/917136823.db2.gz DFCJRXGZGBAHKY-UHFFFAOYSA-N 2 2 397.567 3.775 20 0 GHADLP CC[N@@H+](CCCNC(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CCCCC1 ZINC000650598455 917136829 /nfs/dbraw/zinc/13/68/29/917136829.db2.gz DFCJRXGZGBAHKY-UHFFFAOYSA-N 2 2 397.567 3.775 20 0 GHADLP COc1ccccc1C[NH+]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001190801926 917573430 /nfs/dbraw/zinc/57/34/30/917573430.db2.gz OLVIUWKAXKFYAU-UHFFFAOYSA-N 2 2 393.575 3.999 20 0 GHADLP C[C@@](CO)([NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC001191144015 917810030 /nfs/dbraw/zinc/81/00/30/917810030.db2.gz IGFFADSNNNZFLE-QFIPXVFZSA-N 2 2 394.003 3.773 20 0 GHADLP Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cs1 ZINC000652354630 917879634 /nfs/dbraw/zinc/87/96/34/917879634.db2.gz DAIYFOSSQXBQOK-LPHOPBHVSA-N 2 2 386.565 3.582 20 0 GHADLP Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cs1 ZINC000652354630 917879643 /nfs/dbraw/zinc/87/96/43/917879643.db2.gz DAIYFOSSQXBQOK-LPHOPBHVSA-N 2 2 386.565 3.582 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3coc4ccc(Cl)cc34)CC2)CC1 ZINC000652462068 917903835 /nfs/dbraw/zinc/90/38/35/917903835.db2.gz YYSRNHWFBOTLAU-UHFFFAOYSA-N 2 2 389.927 3.718 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3coc4ccc(Cl)cc34)CC2)CC1 ZINC000652462068 917903845 /nfs/dbraw/zinc/90/38/45/917903845.db2.gz YYSRNHWFBOTLAU-UHFFFAOYSA-N 2 2 389.927 3.718 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(OCC(F)(F)F)nn2)cc1 ZINC000653606939 918351065 /nfs/dbraw/zinc/35/10/65/918351065.db2.gz MRSPMLSQQBOJLA-ZDUSSCGKSA-N 2 2 391.397 3.763 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCC[NH+]4CCCC[C@@H]34)n2)C1 ZINC000653925758 918593966 /nfs/dbraw/zinc/59/39/66/918593966.db2.gz YFHBBCAXSVIMIF-NXHRZFHOSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCC[NH+]4CCCC[C@@H]34)n2)C1 ZINC000653925758 918593972 /nfs/dbraw/zinc/59/39/72/918593972.db2.gz YFHBBCAXSVIMIF-NXHRZFHOSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)n2)C1 ZINC000653925758 918593982 /nfs/dbraw/zinc/59/39/82/918593982.db2.gz YFHBBCAXSVIMIF-NXHRZFHOSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)n2)C1 ZINC000653925758 918593987 /nfs/dbraw/zinc/59/39/87/918593987.db2.gz YFHBBCAXSVIMIF-NXHRZFHOSA-N 2 2 391.585 3.513 20 0 GHADLP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(NCCn4cc[nH+]c4)cc3)c2C1 ZINC000900529284 920373513 /nfs/dbraw/zinc/37/35/13/920373513.db2.gz MWPFFVYLBRPPTC-UHFFFAOYSA-N 2 2 389.503 3.973 20 0 GHADLP CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(NCCn4cc[nH+]c4)cc3)c2C1 ZINC000900529284 920373526 /nfs/dbraw/zinc/37/35/26/920373526.db2.gz MWPFFVYLBRPPTC-UHFFFAOYSA-N 2 2 389.503 3.973 20 0 GHADLP c1nc([C@H]2CCCO2)sc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367959893 922391947 /nfs/dbraw/zinc/39/19/47/922391947.db2.gz HJCXNHNRSXWISS-SFHLNBCPSA-N 2 2 383.561 3.949 20 0 GHADLP c1nc([C@H]2CCCO2)sc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367959893 922391970 /nfs/dbraw/zinc/39/19/70/922391970.db2.gz HJCXNHNRSXWISS-SFHLNBCPSA-N 2 2 383.561 3.949 20 0 GHADLP c1nc([C@H]2CCCO2)sc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367959893 922391989 /nfs/dbraw/zinc/39/19/89/922391989.db2.gz HJCXNHNRSXWISS-SFHLNBCPSA-N 2 2 383.561 3.949 20 0 GHADLP c1nc([C@H]2CCCO2)sc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367959893 922392008 /nfs/dbraw/zinc/39/20/08/922392008.db2.gz HJCXNHNRSXWISS-SFHLNBCPSA-N 2 2 383.561 3.949 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(C(F)(F)F)cn1 ZINC000902727945 922440712 /nfs/dbraw/zinc/44/07/12/922440712.db2.gz HLEAAHHOFLCPKX-HNNXBMFYSA-N 2 2 379.426 3.783 20 0 GHADLP COc1ccc(C[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccc(OC)cc2)cc1 ZINC000368102522 922475268 /nfs/dbraw/zinc/47/52/68/922475268.db2.gz OIZUFVNEUWBLDH-PGRDOPGGSA-N 2 2 377.488 3.858 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(-n2cc[nH+]c2)c1 ZINC000902948104 922630034 /nfs/dbraw/zinc/63/00/34/922630034.db2.gz PLLUZGWENZYNIC-YADARESESA-N 3 2 390.531 3.680 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(-n2cc[nH+]c2)c1 ZINC000902948104 922630042 /nfs/dbraw/zinc/63/00/42/922630042.db2.gz PLLUZGWENZYNIC-YADARESESA-N 3 2 390.531 3.680 20 0 GHADLP CCN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H](C)c1cc2ccccc2o1 ZINC000369375103 923310429 /nfs/dbraw/zinc/31/04/29/923310429.db2.gz VWOSYTGJIFVQJV-IEBWSBKVSA-N 2 2 398.551 3.694 20 0 GHADLP CCN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H](C)c1cc2ccccc2o1 ZINC000369375103 923310442 /nfs/dbraw/zinc/31/04/42/923310442.db2.gz VWOSYTGJIFVQJV-IEBWSBKVSA-N 2 2 398.551 3.694 20 0 GHADLP CN(C(=O)c1cc2occc2s1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677289426 924314642 /nfs/dbraw/zinc/31/46/42/924314642.db2.gz AKXUKDIEAVCWNH-IAGOWNOFSA-N 2 2 389.565 3.904 20 0 GHADLP CN(C(=O)c1cc2occc2s1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677289426 924314645 /nfs/dbraw/zinc/31/46/45/924314645.db2.gz AKXUKDIEAVCWNH-IAGOWNOFSA-N 2 2 389.565 3.904 20 0 GHADLP C[N@@H+]1CCC[C@@H](N2CC[NH+]([C@H]3CCCc4ccc(Br)cc43)CC2)C1 ZINC000678311572 924719696 /nfs/dbraw/zinc/71/96/96/924719696.db2.gz HJFMQWFMGAYWEH-QUCCMNQESA-N 2 2 392.385 3.538 20 0 GHADLP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@H]3CCCc4ccc(Br)cc43)CC2)C1 ZINC000678311572 924719704 /nfs/dbraw/zinc/71/97/04/924719704.db2.gz HJFMQWFMGAYWEH-QUCCMNQESA-N 2 2 392.385 3.538 20 0 GHADLP CC(C)(C)C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000678927954 924975499 /nfs/dbraw/zinc/97/54/99/924975499.db2.gz NMUSCBRQJPOAMX-SFTDATJTSA-N 2 2 394.003 3.813 20 0 GHADLP C[NH+]1CCC(CNC(=O)CC2CC(c3ccccc3)C2)([NH+]2CCCCC2)CC1 ZINC000409773707 924983150 /nfs/dbraw/zinc/98/31/50/924983150.db2.gz OKPRFKAINFJRNN-UHFFFAOYSA-N 2 2 383.580 3.637 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000680215975 925396928 /nfs/dbraw/zinc/39/69/28/925396928.db2.gz SJMIESUGIJGCJD-HLAWJBBLSA-N 2 2 389.503 3.757 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680215975 925396942 /nfs/dbraw/zinc/39/69/42/925396942.db2.gz SJMIESUGIJGCJD-HLAWJBBLSA-N 2 2 389.503 3.757 20 0 GHADLP CCC[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000681215223 925763555 /nfs/dbraw/zinc/76/35/55/925763555.db2.gz HHVWJTFLARXWTD-NHCUHLMSSA-N 2 2 378.605 3.545 20 0 GHADLP CCC[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000681215223 925763559 /nfs/dbraw/zinc/76/35/59/925763559.db2.gz HHVWJTFLARXWTD-NHCUHLMSSA-N 2 2 378.605 3.545 20 0 GHADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373497450 926194905 /nfs/dbraw/zinc/19/49/05/926194905.db2.gz SYAOKIZANPXKBL-NNGSBXSVSA-N 2 2 383.458 3.799 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(=O)N1CCc2sccc2C1 ZINC000411404621 926361859 /nfs/dbraw/zinc/36/18/59/926361859.db2.gz XJBAREVIULQVHS-UHFFFAOYSA-N 2 2 385.577 3.523 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(=O)N1CCc2sccc2C1 ZINC000411404621 926361866 /nfs/dbraw/zinc/36/18/66/926361866.db2.gz XJBAREVIULQVHS-UHFFFAOYSA-N 2 2 385.577 3.523 20 0 GHADLP Cc1ccc2ncc(C[N@@H+](C)C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)cc2c1 ZINC000411570419 926528767 /nfs/dbraw/zinc/52/87/67/926528767.db2.gz OKKSAQSPGGJWOU-DEOSSOPVSA-N 2 2 375.516 3.612 20 0 GHADLP Cc1ccc2ncc(C[N@H+](C)C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)cc2c1 ZINC000411570419 926528777 /nfs/dbraw/zinc/52/87/77/926528777.db2.gz OKKSAQSPGGJWOU-DEOSSOPVSA-N 2 2 375.516 3.612 20 0 GHADLP Cc1ccc2ncc(C[NH+](C)C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2c1 ZINC000411570419 926528779 /nfs/dbraw/zinc/52/87/79/926528779.db2.gz OKKSAQSPGGJWOU-DEOSSOPVSA-N 2 2 375.516 3.612 20 0 GHADLP Cc1ccc2ncc(C[NH+](C)C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2c1 ZINC000411570419 926528788 /nfs/dbraw/zinc/52/87/88/926528788.db2.gz OKKSAQSPGGJWOU-DEOSSOPVSA-N 2 2 375.516 3.612 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2cccnc2Cl)c(C)c1 ZINC000749605925 927210749 /nfs/dbraw/zinc/21/07/49/927210749.db2.gz PWMIEBNEKJCYTL-LPHOPBHVSA-N 2 2 397.910 3.906 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751077117 928017317 /nfs/dbraw/zinc/01/73/17/928017317.db2.gz JPOYVVDVHNOBAH-UHFFFAOYSA-N 2 2 399.583 3.668 20 0 GHADLP CN(C(=O)Nc1cccc(Cl)n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000752696321 928986578 /nfs/dbraw/zinc/98/65/78/928986578.db2.gz LRVHSEMKVVIRMI-DLBZAZTESA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1cccc(Cl)n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000752696321 928986587 /nfs/dbraw/zinc/98/65/87/928986587.db2.gz LRVHSEMKVVIRMI-DLBZAZTESA-N 2 2 393.963 3.536 20 0 GHADLP C[C@H](CN1CCOCC1)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000544347421 929078791 /nfs/dbraw/zinc/07/87/91/929078791.db2.gz SUEZAPSOSJQRSU-LJQANCHMSA-N 2 2 396.560 3.657 20 0 GHADLP C[C@H](CN1CCOCC1)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000544347421 929078799 /nfs/dbraw/zinc/07/87/99/929078799.db2.gz SUEZAPSOSJQRSU-LJQANCHMSA-N 2 2 396.560 3.657 20 0 GHADLP CN(C(=O)c1cc(Cl)cs1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000759082437 930267182 /nfs/dbraw/zinc/26/71/82/930267182.db2.gz DHXHACDGGPLJLU-SJORKVTESA-N 2 2 383.989 3.811 20 0 GHADLP CN(C(=O)c1cc(Cl)cs1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000759082437 930267189 /nfs/dbraw/zinc/26/71/89/930267189.db2.gz DHXHACDGGPLJLU-SJORKVTESA-N 2 2 383.989 3.811 20 0 GHADLP CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000557417378 931414111 /nfs/dbraw/zinc/41/41/11/931414111.db2.gz CWTYCFUSTNFTKZ-QFBILLFUSA-N 2 2 386.927 3.513 20 0 GHADLP OC1CC[NH+](CCC[NH2+][C@H](Cc2ccc(F)cc2Cl)c2ccco2)CC1 ZINC000924753486 931525617 /nfs/dbraw/zinc/52/56/17/931525617.db2.gz FNEXHHAWBWWGPV-LJQANCHMSA-N 2 2 380.891 3.792 20 0 GHADLP CCc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2cccnc2)cc1 ZINC000925057160 931628606 /nfs/dbraw/zinc/62/86/06/931628606.db2.gz NWOYNEXTLGDTQM-BJKOFHAPSA-N 2 2 379.548 3.966 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)CCOCC1)c1ccccc1 ZINC000925112932 931651463 /nfs/dbraw/zinc/65/14/63/931651463.db2.gz OEHRQCPQFDRMJF-VJBMBRPKSA-N 2 2 396.579 3.621 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CCOCC1 ZINC000925836220 931918545 /nfs/dbraw/zinc/91/85/45/931918545.db2.gz IWVDSVQMGBEAIA-QHCPKHFHSA-N 3 2 381.564 3.737 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CCOCC1 ZINC000925836220 931918549 /nfs/dbraw/zinc/91/85/49/931918549.db2.gz IWVDSVQMGBEAIA-QHCPKHFHSA-N 3 2 381.564 3.737 20 0 GHADLP Brc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccnc2)cc1 ZINC000926230080 932091050 /nfs/dbraw/zinc/09/10/50/932091050.db2.gz QVPRQBRQZJQVDH-HKUYNNGSSA-N 2 2 383.293 3.735 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)[C@H](C2CCCC2)C1 ZINC000926230405 932091155 /nfs/dbraw/zinc/09/11/55/932091155.db2.gz UGAKHFLSUWMTTF-FHWLQOOXSA-N 2 2 388.556 3.603 20 0 GHADLP O=C(CCCC[NH+]1CCCC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000797700425 932373385 /nfs/dbraw/zinc/37/33/85/932373385.db2.gz NNMPQLNHQIXKHD-UHFFFAOYSA-N 2 2 388.943 3.831 20 0 GHADLP CN(C(=O)N[C@H]1C[C@H]1c1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000559157315 932470499 /nfs/dbraw/zinc/47/04/99/932470499.db2.gz BJQCEYZBFCPFQN-GPJHCHHRSA-N 2 2 398.595 3.521 20 0 GHADLP CN(C(=O)N[C@H]1C[C@H]1c1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000559157315 932470501 /nfs/dbraw/zinc/47/05/01/932470501.db2.gz BJQCEYZBFCPFQN-GPJHCHHRSA-N 2 2 398.595 3.521 20 0 GHADLP CC(C)c1ccc(C2(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CCC2)cc1 ZINC001116047683 933305476 /nfs/dbraw/zinc/30/54/76/933305476.db2.gz UFTZXVGWGIRYAX-OAQYLSRUSA-N 2 2 383.580 3.516 20 0 GHADLP CC(C)c1ccc(C2(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CCC2)cc1 ZINC001116047683 933305487 /nfs/dbraw/zinc/30/54/87/933305487.db2.gz UFTZXVGWGIRYAX-OAQYLSRUSA-N 2 2 383.580 3.516 20 0 GHADLP CC[N@@H+](Cc1cc(C(F)(F)F)n(C)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929755348 933615910 /nfs/dbraw/zinc/61/59/10/933615910.db2.gz VKEYNMJOKYZPTL-UHFFFAOYSA-N 2 2 381.446 3.572 20 0 GHADLP CC[N@H+](Cc1cc(C(F)(F)F)n(C)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929755348 933615916 /nfs/dbraw/zinc/61/59/16/933615916.db2.gz VKEYNMJOKYZPTL-UHFFFAOYSA-N 2 2 381.446 3.572 20 0 GHADLP Cc1c(C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)ccc2c[nH+]cn21 ZINC001117763614 934010243 /nfs/dbraw/zinc/01/02/43/934010243.db2.gz PMWNXNTZJWPGNG-UHFFFAOYSA-N 2 2 383.455 3.853 20 0 GHADLP CCC[N@H+](CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001118260772 934121696 /nfs/dbraw/zinc/12/16/96/934121696.db2.gz IITGEZXZHRGDCJ-UHFFFAOYSA-N 2 2 391.865 3.699 20 0 GHADLP CCC[N@@H+](CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001118260772 934121699 /nfs/dbraw/zinc/12/16/99/934121699.db2.gz IITGEZXZHRGDCJ-UHFFFAOYSA-N 2 2 391.865 3.699 20 0 GHADLP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000562170848 934742951 /nfs/dbraw/zinc/74/29/51/934742951.db2.gz DYZGRYKNJRGLQQ-UHFFFAOYSA-N 2 2 399.539 3.692 20 0 GHADLP O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1=CCC[NH2+]CC1 ZINC001121916280 934787895 /nfs/dbraw/zinc/78/78/95/934787895.db2.gz UAGBVQJNSNUEPP-UHFFFAOYSA-N 2 2 386.499 3.524 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cccc(Cl)c1Br)CC2 ZINC001137619608 935633117 /nfs/dbraw/zinc/63/31/17/935633117.db2.gz OWPBSELEKSDCFP-UHFFFAOYSA-N 2 2 386.721 3.733 20 0 GHADLP Clc1ncsc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001137821566 935808416 /nfs/dbraw/zinc/80/84/16/935808416.db2.gz VYDHEFAKQQQKJM-UHFFFAOYSA-N 2 2 377.941 3.664 20 0 GHADLP Clc1ncsc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001137821566 935808419 /nfs/dbraw/zinc/80/84/19/935808419.db2.gz VYDHEFAKQQQKJM-UHFFFAOYSA-N 2 2 377.941 3.664 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000829661756 935841357 /nfs/dbraw/zinc/84/13/57/935841357.db2.gz JDLRJKXEWMHDFD-YLJYHZDGSA-N 2 2 384.524 3.916 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)c(F)cc1F)CC2 ZINC001137888218 935847518 /nfs/dbraw/zinc/84/75/18/935847518.db2.gz OMAVWOXWYLWPHJ-INIZCTEOSA-N 2 2 394.437 3.952 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)c(F)cc1F)CC2 ZINC001137888218 935847522 /nfs/dbraw/zinc/84/75/22/935847522.db2.gz OMAVWOXWYLWPHJ-INIZCTEOSA-N 2 2 394.437 3.952 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cc(F)cnc2Cl)CC1 ZINC000830440678 935946009 /nfs/dbraw/zinc/94/60/09/935946009.db2.gz SHQBZIVRRLYBSA-UHFFFAOYSA-N 2 2 383.298 3.569 20 0 GHADLP CN(C)[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC001461001840 1069329729 /nfs/dbraw/zinc/32/97/29/1069329729.db2.gz YVWZURMOYLRKHF-DNQXCXABSA-N 2 2 377.576 3.946 20 0 GHADLP CN(C)[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC001461001840 1069329741 /nfs/dbraw/zinc/32/97/41/1069329741.db2.gz YVWZURMOYLRKHF-DNQXCXABSA-N 2 2 377.576 3.946 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[N@H+](C)CC[C@H]3CCCC[NH+]3C)c2C)cc1 ZINC000468404175 1015672764 /nfs/dbraw/zinc/67/27/64/1015672764.db2.gz AYJGRRJYTYKPCN-OAQYLSRUSA-N 2 2 384.568 3.863 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[N@@H+](C)CC[C@H]3CCCC[NH+]3C)c2C)cc1 ZINC000468404175 1015672765 /nfs/dbraw/zinc/67/27/65/1015672765.db2.gz AYJGRRJYTYKPCN-OAQYLSRUSA-N 2 2 384.568 3.863 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[NH+](C)CC[C@H]3CCCC[N@@H+]3C)c2C)cc1 ZINC000468404175 1015672768 /nfs/dbraw/zinc/67/27/68/1015672768.db2.gz AYJGRRJYTYKPCN-OAQYLSRUSA-N 2 2 384.568 3.863 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[NH+](C)CC[C@H]3CCCC[N@H+]3C)c2C)cc1 ZINC000468404175 1015672770 /nfs/dbraw/zinc/67/27/70/1015672770.db2.gz AYJGRRJYTYKPCN-OAQYLSRUSA-N 2 2 384.568 3.863 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000468882673 1016159882 /nfs/dbraw/zinc/15/98/82/1016159882.db2.gz HEVPVTIPIDVTSO-FQEVSTJZSA-N 2 2 380.536 3.909 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(-c2noc(-c3ccc(C[NH+]4CCCCC4)o3)n2)cn1 ZINC000923877564 1016953262 /nfs/dbraw/zinc/95/32/62/1016953262.db2.gz DXKPDPQMOOQCJY-UHFFFAOYSA-N 2 2 390.447 3.872 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1F)CC2 ZINC001204195241 1032649037 /nfs/dbraw/zinc/64/90/37/1032649037.db2.gz NVQKTMKHQXHXBT-QGZVFWFLSA-N 2 2 376.447 3.813 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1F)CC2 ZINC001204195241 1032649047 /nfs/dbraw/zinc/64/90/47/1032649047.db2.gz NVQKTMKHQXHXBT-QGZVFWFLSA-N 2 2 376.447 3.813 20 0 GHADLP Fc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1F ZINC001204221873 1032668886 /nfs/dbraw/zinc/66/88/86/1032668886.db2.gz JUKXVSNBLAHGNO-UHFFFAOYSA-N 2 2 378.488 3.893 20 0 GHADLP Fc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1F ZINC001204221873 1032668891 /nfs/dbraw/zinc/66/88/91/1032668891.db2.gz JUKXVSNBLAHGNO-UHFFFAOYSA-N 2 2 378.488 3.893 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001204266188 1032708733 /nfs/dbraw/zinc/70/87/33/1032708733.db2.gz UJQXGSDRWQOLPE-NHCUHLMSSA-N 3 2 399.604 3.642 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000561869351 1017964355 /nfs/dbraw/zinc/96/43/55/1017964355.db2.gz DIZHUWIFJSQGLA-UHFFFAOYSA-N 2 2 378.520 3.598 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4cccc5c4OCCCO5)C3)C2)cc1 ZINC000561968955 1017995181 /nfs/dbraw/zinc/99/51/81/1017995181.db2.gz GCKAPYYPUXKPJV-DEOSSOPVSA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4cccc5c4OCCCO5)C3)C2)cc1 ZINC000561968955 1017995184 /nfs/dbraw/zinc/99/51/84/1017995184.db2.gz GCKAPYYPUXKPJV-DEOSSOPVSA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4cccc5c4OCCCO5)C3)C2)cc1 ZINC000561968955 1017995187 /nfs/dbraw/zinc/99/51/87/1017995187.db2.gz GCKAPYYPUXKPJV-DEOSSOPVSA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4cccc5c4OCCCO5)C3)C2)cc1 ZINC000561968955 1017995191 /nfs/dbraw/zinc/99/51/91/1017995191.db2.gz GCKAPYYPUXKPJV-DEOSSOPVSA-N 2 2 378.516 3.946 20 0 GHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)CC2)c1 ZINC000564922497 1019130523 /nfs/dbraw/zinc/13/05/23/1019130523.db2.gz RMTZKZMGSIFNNC-GCJKJVERSA-N 2 2 395.547 3.627 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1Cl ZINC000564986446 1019136918 /nfs/dbraw/zinc/13/69/18/1019136918.db2.gz OVCGOECPQNTUKI-TZIWHRDSSA-N 2 2 387.911 3.699 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@](C)(C[NH3+])C2)cc1Cl ZINC000564986446 1019136928 /nfs/dbraw/zinc/13/69/28/1019136928.db2.gz OVCGOECPQNTUKI-TZIWHRDSSA-N 2 2 387.911 3.699 20 0 GHADLP Cc1cc(F)c(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c(Cl)c1 ZINC000569932710 1019539523 /nfs/dbraw/zinc/53/95/23/1019539523.db2.gz WQDDAVQQZKYLRV-OAQYLSRUSA-N 2 2 375.919 3.866 20 0 GHADLP FC(F)(F)Oc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001204416536 1032847732 /nfs/dbraw/zinc/84/77/32/1032847732.db2.gz XIJLVFZKYVZFSV-QZTJIDSGSA-N 2 2 377.410 3.544 20 0 GHADLP COC(=O)c1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)oc1C ZINC000572525904 1019783032 /nfs/dbraw/zinc/78/30/32/1019783032.db2.gz PCZIYCJNKWZFIF-MRXNPFEDSA-N 2 2 376.522 3.698 20 0 GHADLP COC(=O)c1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)oc1C ZINC000572525904 1019783051 /nfs/dbraw/zinc/78/30/51/1019783051.db2.gz PCZIYCJNKWZFIF-MRXNPFEDSA-N 2 2 376.522 3.698 20 0 GHADLP COC(=O)c1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)oc1C ZINC000572525904 1019783069 /nfs/dbraw/zinc/78/30/69/1019783069.db2.gz PCZIYCJNKWZFIF-MRXNPFEDSA-N 2 2 376.522 3.698 20 0 GHADLP COC(=O)c1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)oc1C ZINC000572525904 1019783083 /nfs/dbraw/zinc/78/30/83/1019783083.db2.gz PCZIYCJNKWZFIF-MRXNPFEDSA-N 2 2 376.522 3.698 20 0 GHADLP COC(=O)c1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)oc1C ZINC000572525903 1019783205 /nfs/dbraw/zinc/78/32/05/1019783205.db2.gz PCZIYCJNKWZFIF-INIZCTEOSA-N 2 2 376.522 3.698 20 0 GHADLP COC(=O)c1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)oc1C ZINC000572525903 1019783219 /nfs/dbraw/zinc/78/32/19/1019783219.db2.gz PCZIYCJNKWZFIF-INIZCTEOSA-N 2 2 376.522 3.698 20 0 GHADLP COC(=O)c1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)oc1C ZINC000572525903 1019783237 /nfs/dbraw/zinc/78/32/37/1019783237.db2.gz PCZIYCJNKWZFIF-INIZCTEOSA-N 2 2 376.522 3.698 20 0 GHADLP COC(=O)c1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)oc1C ZINC000572525903 1019783253 /nfs/dbraw/zinc/78/32/53/1019783253.db2.gz PCZIYCJNKWZFIF-INIZCTEOSA-N 2 2 376.522 3.698 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)nc1C1CC1 ZINC000574627363 1019895018 /nfs/dbraw/zinc/89/50/18/1019895018.db2.gz ROTDDEVGCHRMCH-UZLBHIALSA-N 2 2 385.552 3.878 20 0 GHADLP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]([NH3+])c3c(F)cccc3F)c2)CC1 ZINC000575038570 1019921315 /nfs/dbraw/zinc/92/13/15/1019921315.db2.gz MSZXOZCOZFKHPC-NRFANRHFSA-N 2 2 387.474 3.878 20 0 GHADLP Clc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001204442432 1032881310 /nfs/dbraw/zinc/88/13/10/1032881310.db2.gz OPKAFLJIAVBWOY-SJLPKXTDSA-N 2 2 377.941 3.519 20 0 GHADLP Clc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001204442432 1032881325 /nfs/dbraw/zinc/88/13/25/1032881325.db2.gz OPKAFLJIAVBWOY-SJLPKXTDSA-N 2 2 377.941 3.519 20 0 GHADLP Clc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001204442432 1032881342 /nfs/dbraw/zinc/88/13/42/1032881342.db2.gz OPKAFLJIAVBWOY-SJLPKXTDSA-N 2 2 377.941 3.519 20 0 GHADLP Clc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001204442432 1032881354 /nfs/dbraw/zinc/88/13/54/1032881354.db2.gz OPKAFLJIAVBWOY-SJLPKXTDSA-N 2 2 377.941 3.519 20 0 GHADLP C[NH+](C)C1(CNc2ccc(-c3cccc4ccccc43)nn2)CC[NH+](C)CC1 ZINC001156188238 1032916263 /nfs/dbraw/zinc/91/62/63/1032916263.db2.gz RDYYPRPXLGRVPX-UHFFFAOYSA-N 2 2 375.520 3.735 20 0 GHADLP C[NH+](C)C1(CNC(F)(F)c2cccc3c(Cl)nccc32)CC[NH+](C)CC1 ZINC001156184841 1032915758 /nfs/dbraw/zinc/91/57/58/1032915758.db2.gz FONAOWXGLDQUQD-UHFFFAOYSA-N 2 2 382.886 3.553 20 0 GHADLP Cc1nc2sc3c(c2c(NCC2([NH+](C)C)CC[NH+](C)CC2)n1)CCCCC3 ZINC001156185856 1032915858 /nfs/dbraw/zinc/91/58/58/1032915858.db2.gz UWGSKYDYCMBOQY-UHFFFAOYSA-N 2 2 387.597 3.707 20 0 GHADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834508157 1021232683 /nfs/dbraw/zinc/23/26/83/1021232683.db2.gz IUZNPCARWGQBLN-QZTJIDSGSA-N 2 2 376.545 3.530 20 0 GHADLP CCOc1ccc2[nH]cc(C[N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001140269165 1021292260 /nfs/dbraw/zinc/29/22/60/1021292260.db2.gz MNYKPILBURZDOO-BGYRXZFFSA-N 2 2 376.504 3.525 20 0 GHADLP CCOc1ccc2[nH]cc(C[N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001140269165 1021292261 /nfs/dbraw/zinc/29/22/61/1021292261.db2.gz MNYKPILBURZDOO-BGYRXZFFSA-N 2 2 376.504 3.525 20 0 GHADLP CCOc1ccc2[nH]cc(C[NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001140269165 1021292263 /nfs/dbraw/zinc/29/22/63/1021292263.db2.gz MNYKPILBURZDOO-BGYRXZFFSA-N 2 2 376.504 3.525 20 0 GHADLP CCOc1ccc2[nH]cc(C[NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001140269165 1021292272 /nfs/dbraw/zinc/29/22/72/1021292272.db2.gz MNYKPILBURZDOO-BGYRXZFFSA-N 2 2 376.504 3.525 20 0 GHADLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(C(F)(F)F)cn1 ZINC000902790782 1021540939 /nfs/dbraw/zinc/54/09/39/1021540939.db2.gz RXZOBRWJOHNEGO-OXQOHEQNSA-N 2 2 392.469 3.740 20 0 GHADLP Clc1cccc(N2CC[NH+](C3CC[NH+](C[C@H]4CCC=CO4)CC3)CC2)c1 ZINC000835058138 1021827921 /nfs/dbraw/zinc/82/79/21/1021827921.db2.gz ZARTYTQOAJUOER-OAQYLSRUSA-N 2 2 375.944 3.619 20 0 GHADLP C[N@H+](Cc1ccccc1)C1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC001140492708 1021835788 /nfs/dbraw/zinc/83/57/88/1021835788.db2.gz NJJTXQWYZMUICU-QHCPKHFHSA-N 2 2 395.522 3.523 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC001140492708 1021835803 /nfs/dbraw/zinc/83/58/03/1021835803.db2.gz NJJTXQWYZMUICU-QHCPKHFHSA-N 2 2 395.522 3.523 20 0 GHADLP C[NH+](Cc1ccccc1)C1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC001140492708 1021835822 /nfs/dbraw/zinc/83/58/22/1021835822.db2.gz NJJTXQWYZMUICU-QHCPKHFHSA-N 2 2 395.522 3.523 20 0 GHADLP C[NH+](Cc1ccccc1)C1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC001140492708 1021835845 /nfs/dbraw/zinc/83/58/45/1021835845.db2.gz NJJTXQWYZMUICU-QHCPKHFHSA-N 2 2 395.522 3.523 20 0 GHADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000677496661 1021838490 /nfs/dbraw/zinc/83/84/90/1021838490.db2.gz IOIDGDDCPKSJGG-GOSISDBHSA-N 2 2 379.508 3.596 20 0 GHADLP c1ccc(-c2ncc3c(n2)CC[C@@H]([NH2+]C2CCN(c4cccc[nH+]4)CC2)C3)cc1 ZINC000679022642 1021952689 /nfs/dbraw/zinc/95/26/89/1021952689.db2.gz IXZYXKRKLFYGPS-OAQYLSRUSA-N 2 2 385.515 3.655 20 0 GHADLP Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001140591815 1022027540 /nfs/dbraw/zinc/02/75/40/1022027540.db2.gz KLUCKJNUELMVCH-PUHATCMVSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1ccc(F)cc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001140591815 1022027553 /nfs/dbraw/zinc/02/75/53/1022027553.db2.gz KLUCKJNUELMVCH-PUHATCMVSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1ccc(F)cc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001140591815 1022027571 /nfs/dbraw/zinc/02/75/71/1022027571.db2.gz KLUCKJNUELMVCH-PUHATCMVSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1ccc(F)cc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001140591815 1022027592 /nfs/dbraw/zinc/02/75/92/1022027592.db2.gz KLUCKJNUELMVCH-PUHATCMVSA-N 2 2 382.527 3.706 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC001204755060 1033068878 /nfs/dbraw/zinc/06/88/78/1033068878.db2.gz DFQIKXJEAXZVKG-OLZOCXBDSA-N 2 2 378.294 3.606 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3[nH]c(-c4ccc5c(c4)CCC5)nc3=S)C2)CC1 ZINC000755779633 1023375258 /nfs/dbraw/zinc/37/52/58/1023375258.db2.gz SQCBSDATMHGEDX-HXUWFJFHSA-N 2 2 397.592 3.718 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3[nH]c(-c4ccc5c(c4)CCC5)nc3=S)C2)CC1 ZINC000755779633 1023375269 /nfs/dbraw/zinc/37/52/69/1023375269.db2.gz SQCBSDATMHGEDX-HXUWFJFHSA-N 2 2 397.592 3.718 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(F)c1 ZINC001204921787 1033167672 /nfs/dbraw/zinc/16/76/72/1033167672.db2.gz AMPIKAFBYJFWTQ-JWNTYJGQSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(F)c1 ZINC001204921787 1033167674 /nfs/dbraw/zinc/16/76/74/1033167674.db2.gz AMPIKAFBYJFWTQ-JWNTYJGQSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(F)c1 ZINC001204921787 1033167677 /nfs/dbraw/zinc/16/76/77/1033167677.db2.gz AMPIKAFBYJFWTQ-JWNTYJGQSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(F)c1 ZINC001204921787 1033167682 /nfs/dbraw/zinc/16/76/82/1033167682.db2.gz AMPIKAFBYJFWTQ-JWNTYJGQSA-N 2 2 383.511 3.962 20 0 GHADLP CCc1ccccc1C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001141229185 1024213670 /nfs/dbraw/zinc/21/36/70/1024213670.db2.gz MPQNHIOFCZCUFS-FQEVSTJZSA-N 2 2 387.568 3.812 20 0 GHADLP CCc1ccccc1C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001141229185 1024213694 /nfs/dbraw/zinc/21/36/94/1024213694.db2.gz MPQNHIOFCZCUFS-FQEVSTJZSA-N 2 2 387.568 3.812 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3cc(C)c(OC)c(C)c3)CC2)CC1 ZINC001138428789 1024825557 /nfs/dbraw/zinc/82/55/57/1024825557.db2.gz MNPJNZSVLGOISK-UHFFFAOYSA-N 2 2 388.552 3.552 20 0 GHADLP CN(C)c1ccc(C[NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)s1 ZINC001138492920 1024925648 /nfs/dbraw/zinc/92/56/48/1024925648.db2.gz GDPPMUPXULNRFI-UHFFFAOYSA-N 2 2 391.338 3.824 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccc(Oc4ncccn4)c3)C2)C1 ZINC001138619950 1025113897 /nfs/dbraw/zinc/11/38/97/1025113897.db2.gz KPMSLGGRCGUPSM-HSZRJFAPSA-N 2 2 396.535 3.592 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccc(Oc4ncccn4)c3)C2)C1 ZINC001138619950 1025113902 /nfs/dbraw/zinc/11/39/02/1025113902.db2.gz KPMSLGGRCGUPSM-HSZRJFAPSA-N 2 2 396.535 3.592 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cccc(Oc4ncccn4)c3)C2)C1 ZINC001138619950 1025113908 /nfs/dbraw/zinc/11/39/08/1025113908.db2.gz KPMSLGGRCGUPSM-HSZRJFAPSA-N 2 2 396.535 3.592 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cccc(Oc4ncccn4)c3)C2)C1 ZINC001138619950 1025113916 /nfs/dbraw/zinc/11/39/16/1025113916.db2.gz KPMSLGGRCGUPSM-HSZRJFAPSA-N 2 2 396.535 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)C1 ZINC000839190246 1025712003 /nfs/dbraw/zinc/71/20/03/1025712003.db2.gz YFBWIHSTUKZQJJ-RBUKOAKNSA-N 2 2 376.545 3.775 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)C1 ZINC000839190246 1025712012 /nfs/dbraw/zinc/71/20/12/1025712012.db2.gz YFBWIHSTUKZQJJ-RBUKOAKNSA-N 2 2 376.545 3.775 20 0 GHADLP c1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@H](C4CCOCC4)C3)CC2)cc1 ZINC001461035961 1069350902 /nfs/dbraw/zinc/35/09/02/1069350902.db2.gz RFGAOGIQHUNPNR-XZOQPEGZSA-N 2 2 385.596 3.774 20 0 GHADLP Cc1ccc([C@@]2(C)C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCO2)cc1 ZINC001139059254 1025849717 /nfs/dbraw/zinc/84/97/17/1025849717.db2.gz RREFOXHPNLJGKG-XMMPIXPASA-N 2 2 380.532 3.575 20 0 GHADLP Cc1ccc([C@@]2(C)C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCO2)cc1 ZINC001139059254 1025849732 /nfs/dbraw/zinc/84/97/32/1025849732.db2.gz RREFOXHPNLJGKG-XMMPIXPASA-N 2 2 380.532 3.575 20 0 GHADLP Cc1ccc([C@]2(C)C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCO2)cc1 ZINC001139059253 1025850639 /nfs/dbraw/zinc/85/06/39/1025850639.db2.gz RREFOXHPNLJGKG-DEOSSOPVSA-N 2 2 380.532 3.575 20 0 GHADLP Cc1ccc([C@]2(C)C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCO2)cc1 ZINC001139059253 1025850657 /nfs/dbraw/zinc/85/06/57/1025850657.db2.gz RREFOXHPNLJGKG-DEOSSOPVSA-N 2 2 380.532 3.575 20 0 GHADLP COc1cc(O)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001139140709 1025954368 /nfs/dbraw/zinc/95/43/68/1025954368.db2.gz PIVRLCIMTAZKPH-MTNREXPMSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001139140709 1025954373 /nfs/dbraw/zinc/95/43/73/1025954373.db2.gz PIVRLCIMTAZKPH-MTNREXPMSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)ccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001139140709 1025954380 /nfs/dbraw/zinc/95/43/80/1025954380.db2.gz PIVRLCIMTAZKPH-MTNREXPMSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)ccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001139140709 1025954383 /nfs/dbraw/zinc/95/43/83/1025954383.db2.gz PIVRLCIMTAZKPH-MTNREXPMSA-N 2 2 381.520 3.528 20 0 GHADLP CC(C)Oc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc[nH+]1 ZINC001162935598 1025973459 /nfs/dbraw/zinc/97/34/59/1025973459.db2.gz TVHXYDQAAIFDBW-NRFANRHFSA-N 3 2 394.563 3.783 20 0 GHADLP CC(C)Oc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc[nH+]1 ZINC001162935598 1025973462 /nfs/dbraw/zinc/97/34/62/1025973462.db2.gz TVHXYDQAAIFDBW-NRFANRHFSA-N 3 2 394.563 3.783 20 0 GHADLP COC(=O)c1cc2[nH+]c[nH]c2c(N[C@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)c1 ZINC001163034453 1026017685 /nfs/dbraw/zinc/01/76/85/1026017685.db2.gz RMCUVMZYQVYSDP-FQEVSTJZSA-N 2 2 390.487 3.836 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc(F)c2OC(F)(F)F)cn1 ZINC001461071626 1069375653 /nfs/dbraw/zinc/37/56/53/1069375653.db2.gz LRGAZBLXBSFHMS-UHFFFAOYSA-N 2 2 380.345 3.903 20 0 GHADLP O=C1N(c2ccsc2)CC[C@@]12CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139358980 1026231124 /nfs/dbraw/zinc/23/11/24/1026231124.db2.gz XABZQAUPEZZCHH-OAQYLSRUSA-N 2 2 378.501 3.563 20 0 GHADLP O=C1N(c2ccsc2)CC[C@@]12CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139358980 1026231135 /nfs/dbraw/zinc/23/11/35/1026231135.db2.gz XABZQAUPEZZCHH-OAQYLSRUSA-N 2 2 378.501 3.563 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[NH+]1CCCC[C@H]1C ZINC001141694280 1026272460 /nfs/dbraw/zinc/27/24/60/1026272460.db2.gz IFCPUARPRYTWPG-LQWHRVPQSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[NH+]1CCCC[C@H]1C ZINC001141694280 1026272465 /nfs/dbraw/zinc/27/24/65/1026272465.db2.gz IFCPUARPRYTWPG-LQWHRVPQSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)[N@@H+]1CCCC[C@H]1C ZINC001141694280 1026272476 /nfs/dbraw/zinc/27/24/76/1026272476.db2.gz IFCPUARPRYTWPG-LQWHRVPQSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)[N@H+]1CCCC[C@H]1C ZINC001141694280 1026272479 /nfs/dbraw/zinc/27/24/79/1026272479.db2.gz IFCPUARPRYTWPG-LQWHRVPQSA-N 2 2 375.532 3.559 20 0 GHADLP Cc1cc(N2CCN(c3nc(NC(C)C)c(C)c[nH+]3)CC2)c2ccccc2[nH+]1 ZINC001164198505 1026447353 /nfs/dbraw/zinc/44/73/53/1026447353.db2.gz DXXWIZUKCBZZMI-UHFFFAOYSA-N 2 2 376.508 3.789 20 0 GHADLP COc1cc2ccc(N3CCC(C[NH3+])(c4ccccc4)CC3)[nH+]c2cc1OC ZINC001164439970 1026514307 /nfs/dbraw/zinc/51/43/07/1026514307.db2.gz WGHPFUNNJKHVQK-UHFFFAOYSA-N 2 2 377.488 3.749 20 0 GHADLP COC(=O)c1cc2[nH+]c[nH]c2c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164493643 1026531645 /nfs/dbraw/zinc/53/16/45/1026531645.db2.gz VMNWHQWAPGWNEJ-YTQUADARSA-N 2 2 390.487 3.672 20 0 GHADLP COC(=O)c1cc2[nH+]c[nH]c2c(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164493643 1026531654 /nfs/dbraw/zinc/53/16/54/1026531654.db2.gz VMNWHQWAPGWNEJ-YTQUADARSA-N 2 2 390.487 3.672 20 0 GHADLP Cc1c[nH+]c(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)nc1NCC1CC1 ZINC001165147265 1026633754 /nfs/dbraw/zinc/63/37/54/1026633754.db2.gz HXPVREGIGKOSQQ-UHFFFAOYSA-N 2 2 377.536 3.634 20 0 GHADLP Cc1c[nH+]c(N2CCC([N@H+]3CCc4ccccc4C3)CC2)nc1NCC1CC1 ZINC001165147265 1026633761 /nfs/dbraw/zinc/63/37/61/1026633761.db2.gz HXPVREGIGKOSQQ-UHFFFAOYSA-N 2 2 377.536 3.634 20 0 GHADLP Cc1ccc(C(F)(F)F)cc1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001139885358 1026701000 /nfs/dbraw/zinc/70/10/00/1026701000.db2.gz JSXYOCSWHTVUDN-ROUUACIJSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001139885355 1026701115 /nfs/dbraw/zinc/70/11/15/1026701115.db2.gz JSXYOCSWHTVUDN-HDICACEKSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001139885355 1026701128 /nfs/dbraw/zinc/70/11/28/1026701128.db2.gz JSXYOCSWHTVUDN-HDICACEKSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1ccc(C(F)(F)F)cc1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001139885355 1026701137 /nfs/dbraw/zinc/70/11/37/1026701137.db2.gz JSXYOCSWHTVUDN-HDICACEKSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1ccc(C(F)(F)F)cc1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001139885355 1026701149 /nfs/dbraw/zinc/70/11/49/1026701149.db2.gz JSXYOCSWHTVUDN-HDICACEKSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1[nH+]c2c(n1-c1nc(-c3ccccc3F)nc3ccc(F)cc31)CC[NH2+]CC2 ZINC001165354008 1026710962 /nfs/dbraw/zinc/71/09/62/1026710962.db2.gz YENYXEJMCHJPHS-UHFFFAOYSA-N 2 2 391.425 3.757 20 0 GHADLP Cn1ncc2ccc(C[NH+]3CC(c4[nH+]cn5cc(Br)ccc45)C3)cc21 ZINC001139907726 1026721705 /nfs/dbraw/zinc/72/17/05/1026721705.db2.gz LCSRSCSXMRMASZ-UHFFFAOYSA-N 2 2 396.292 3.583 20 0 GHADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2c[nH]c3cccc(Br)c23)CC1 ZINC001139968734 1026769567 /nfs/dbraw/zinc/76/95/67/1026769567.db2.gz XNJULVRBSRSXDR-UHFFFAOYSA-N 2 2 385.309 3.956 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001140028664 1026818780 /nfs/dbraw/zinc/81/87/80/1026818780.db2.gz YYRZIWJVFOSUBU-OAHLLOKOSA-N 2 2 391.397 3.962 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001140028664 1026818788 /nfs/dbraw/zinc/81/87/88/1026818788.db2.gz YYRZIWJVFOSUBU-OAHLLOKOSA-N 2 2 391.397 3.962 20 0 GHADLP Cc1ccc(Cl)c(O[C@H]2CCCN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)C2)c1 ZINC001166585100 1027034343 /nfs/dbraw/zinc/03/43/43/1027034343.db2.gz RUMFCXDCJCISBC-SFHVURJKSA-N 2 2 386.927 3.501 20 0 GHADLP CCc1[nH]c(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4cccs4)CO3)CC2)c(C)[nH+]1 ZINC001203237441 1027243088 /nfs/dbraw/zinc/24/30/88/1027243088.db2.gz BZPONOGSBYDIKE-QGZVFWFLSA-N 3 2 388.581 3.598 20 0 GHADLP CCc1[nH]c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)c(C)[nH+]1 ZINC001203237441 1027243108 /nfs/dbraw/zinc/24/31/08/1027243108.db2.gz BZPONOGSBYDIKE-QGZVFWFLSA-N 3 2 388.581 3.598 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c(C)c1C ZINC001203717955 1027552309 /nfs/dbraw/zinc/55/23/09/1027552309.db2.gz YVTCAACLVHOZID-UHFFFAOYSA-N 2 2 384.520 3.772 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c(C)c1C ZINC001203717955 1027552313 /nfs/dbraw/zinc/55/23/13/1027552313.db2.gz YVTCAACLVHOZID-UHFFFAOYSA-N 2 2 384.520 3.772 20 0 GHADLP Cc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)c(C)c1 ZINC001203744439 1027565962 /nfs/dbraw/zinc/56/59/62/1027565962.db2.gz DICQESDAUNIFFB-FQEVSTJZSA-N 2 2 387.568 3.867 20 0 GHADLP Cc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)c(C)c1 ZINC001203744439 1027565970 /nfs/dbraw/zinc/56/59/70/1027565970.db2.gz DICQESDAUNIFFB-FQEVSTJZSA-N 2 2 387.568 3.867 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cccc3c1OCO3)CC2 ZINC001141951943 1027733639 /nfs/dbraw/zinc/73/36/39/1027733639.db2.gz QPMOJUCROGSWHE-UHFFFAOYSA-N 2 2 383.492 3.651 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cccc3c1OCO3)CC2 ZINC001141951943 1027733657 /nfs/dbraw/zinc/73/36/57/1027733657.db2.gz QPMOJUCROGSWHE-UHFFFAOYSA-N 2 2 383.492 3.651 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4c3OCO4)C[C@@H]21 ZINC001141956518 1027743214 /nfs/dbraw/zinc/74/32/14/1027743214.db2.gz KMNNBYDCCAYJGD-DZFGPLHGSA-N 2 2 379.504 3.543 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4c3OCO4)C[C@@H]21 ZINC001141956518 1027743232 /nfs/dbraw/zinc/74/32/32/1027743232.db2.gz KMNNBYDCCAYJGD-DZFGPLHGSA-N 2 2 379.504 3.543 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4c3OCO4)C[C@@H]21 ZINC001141956518 1027743243 /nfs/dbraw/zinc/74/32/43/1027743243.db2.gz KMNNBYDCCAYJGD-DZFGPLHGSA-N 2 2 379.504 3.543 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4c3OCO4)C[C@@H]21 ZINC001141956518 1027743249 /nfs/dbraw/zinc/74/32/49/1027743249.db2.gz KMNNBYDCCAYJGD-DZFGPLHGSA-N 2 2 379.504 3.543 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc5c(c4)OCCCO5)C[C@@H]3C2)cc1 ZINC001142273929 1028545830 /nfs/dbraw/zinc/54/58/30/1028545830.db2.gz JPEMSSBESLADNU-FCHUYYIVSA-N 2 2 378.516 3.802 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc5c(c4)OCCCO5)C[C@@H]3C2)cc1 ZINC001142273929 1028545840 /nfs/dbraw/zinc/54/58/40/1028545840.db2.gz JPEMSSBESLADNU-FCHUYYIVSA-N 2 2 378.516 3.802 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc5c(c4)OCCCO5)C[C@@H]3C2)cc1 ZINC001142273929 1028545859 /nfs/dbraw/zinc/54/58/59/1028545859.db2.gz JPEMSSBESLADNU-FCHUYYIVSA-N 2 2 378.516 3.802 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc5c(c4)OCCCO5)C[C@@H]3C2)cc1 ZINC001142273929 1028545868 /nfs/dbraw/zinc/54/58/68/1028545868.db2.gz JPEMSSBESLADNU-FCHUYYIVSA-N 2 2 378.516 3.802 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]cc2-c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1 ZINC001214671693 1028850817 /nfs/dbraw/zinc/85/08/17/1028850817.db2.gz LLRREGDBHKGQJB-UHFFFAOYSA-N 2 2 390.274 3.857 20 0 GHADLP C[NH+](C)C1(C)CN(C(=O)CC2=C(c3ccccc3)[NH2+]C(c3ccccc3)S2)C1 ZINC001142484371 1028983486 /nfs/dbraw/zinc/98/34/86/1028983486.db2.gz FJLCAOBEKVAQJI-UHFFFAOYSA-N 2 2 392.548 3.782 20 0 GHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400777597 1029032677 /nfs/dbraw/zinc/03/26/77/1029032677.db2.gz OPUAWJPWHZHBAO-FUHWJXTLSA-N 2 2 378.561 3.923 20 0 GHADLP CC[NH+](CC)[C@H](c1nc([C@H]2CCC[NH2+]C2)no1)c1cccc(C(F)(F)F)c1 ZINC000842666771 1029470067 /nfs/dbraw/zinc/47/00/67/1029470067.db2.gz GMGILULSYYUTJM-HOCLYGCPSA-N 2 2 382.430 3.987 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H](Cn3cc[nH+]c3)C(C)(C)C)C[C@H]2C1 ZINC000842831182 1029616343 /nfs/dbraw/zinc/61/63/43/1029616343.db2.gz QZBYIFYYIFJULB-VJANTYMQSA-N 2 2 390.572 3.923 20 0 GHADLP O=C(c1ccsc1)N1CCC2(CC1)CC[NH+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143021078 1029787335 /nfs/dbraw/zinc/78/73/35/1029787335.db2.gz MSGDIMYITTYSJO-UHFFFAOYSA-N 2 2 394.544 3.914 20 0 GHADLP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccc3nccn3c2)CC1 ZINC001143029349 1029790534 /nfs/dbraw/zinc/79/05/34/1029790534.db2.gz WAFVYDDSDKNTDR-UHFFFAOYSA-N 2 2 377.879 3.858 20 0 GHADLP CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)C1CC1 ZINC001461588360 1069624881 /nfs/dbraw/zinc/62/48/81/1069624881.db2.gz ZTMLTAPWXFBYHL-QRWLVFNGSA-N 2 2 377.916 3.909 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3scc4c3OCCO4)C[C@@H]21 ZINC001143187419 1029891314 /nfs/dbraw/zinc/89/13/14/1029891314.db2.gz RGONPYIIIHUOAJ-NZSAHSFTSA-N 2 2 399.560 3.647 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3scc4c3OCCO4)C[C@@H]21 ZINC001143187419 1029891326 /nfs/dbraw/zinc/89/13/26/1029891326.db2.gz RGONPYIIIHUOAJ-NZSAHSFTSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3scc4c3OCCO4)C[C@@H]21 ZINC001143187419 1029891340 /nfs/dbraw/zinc/89/13/40/1029891340.db2.gz RGONPYIIIHUOAJ-NZSAHSFTSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3scc4c3OCCO4)C[C@@H]21 ZINC001143187419 1029891350 /nfs/dbraw/zinc/89/13/50/1029891350.db2.gz RGONPYIIIHUOAJ-NZSAHSFTSA-N 2 2 399.560 3.647 20 0 GHADLP c1cn(-c2ccc(-c3noc(-c4cccc(OC5CC[NH2+]CC5)c4)n3)cc2)c[nH+]1 ZINC001216939447 1030012998 /nfs/dbraw/zinc/01/29/98/1030012998.db2.gz DCTLAZDYWGOUTF-UHFFFAOYSA-N 2 2 387.443 3.720 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)ccc1C(F)(F)F ZINC001143344804 1030056420 /nfs/dbraw/zinc/05/64/20/1030056420.db2.gz ZQRMQHOIVHFGOB-ROUUACIJSA-N 2 2 391.437 3.673 20 0 GHADLP FC(F)(F)c1ccccc1-c1cccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222502769 1030171401 /nfs/dbraw/zinc/17/14/01/1030171401.db2.gz SAHBBSFQYPXWPN-SFTDATJTSA-N 2 2 389.465 3.898 20 0 GHADLP Oc1ccc(F)c(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222582579 1030209485 /nfs/dbraw/zinc/20/94/85/1030209485.db2.gz CZDYACLOUSRCES-HXUWFJFHSA-N 2 2 384.495 3.835 20 0 GHADLP Oc1ccc(F)c(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222582579 1030209503 /nfs/dbraw/zinc/20/95/03/1030209503.db2.gz CZDYACLOUSRCES-HXUWFJFHSA-N 2 2 384.495 3.835 20 0 GHADLP c1[nH+]cn2c1cccc2C[N@@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222596475 1030221452 /nfs/dbraw/zinc/22/14/52/1030221452.db2.gz WQEDDUYZFIXHDC-QHCPKHFHSA-N 3 2 390.531 3.638 20 0 GHADLP c1[nH+]cn2c1cccc2C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222596475 1030221460 /nfs/dbraw/zinc/22/14/60/1030221460.db2.gz WQEDDUYZFIXHDC-QHCPKHFHSA-N 3 2 390.531 3.638 20 0 GHADLP c1ccc(COc2ncccc2C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222615825 1030239354 /nfs/dbraw/zinc/23/93/54/1030239354.db2.gz SWILRRLLRHNRLH-HSZRJFAPSA-N 2 2 385.511 3.850 20 0 GHADLP c1ccc(COc2ncccc2C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222615825 1030239372 /nfs/dbraw/zinc/23/93/72/1030239372.db2.gz SWILRRLLRHNRLH-HSZRJFAPSA-N 2 2 385.511 3.850 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@H](C(F)(F)F)O3)CC2)cc1 ZINC001461733443 1069710204 /nfs/dbraw/zinc/71/02/04/1069710204.db2.gz CTNVGYMAIFFGLW-RBUKOAKNSA-N 2 2 385.474 3.811 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1Cl ZINC001220161307 1031807845 /nfs/dbraw/zinc/80/78/45/1031807845.db2.gz BNCQGCNNDZYHEO-PBEJRMEISA-N 2 2 377.960 3.761 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)c1cccc(F)c1 ZINC001220192882 1031826995 /nfs/dbraw/zinc/82/69/95/1031826995.db2.gz FOBFPAUCMROOIN-LJQANCHMSA-N 2 2 385.487 3.635 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C(F)(F)F)nc4)C[C@H]3C2)cc1 ZINC001205370465 1033380256 /nfs/dbraw/zinc/38/02/56/1033380256.db2.gz IJSDKMKXXQQTQY-RTBURBONSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4ccc5[nH]ccc5c4)CC[C@@H]3C2)cs1 ZINC001205587866 1033480692 /nfs/dbraw/zinc/48/06/92/1033480692.db2.gz JIPDIGFBNRQYPI-DENIHFKCSA-N 2 2 396.560 3.656 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4ccc5[nH]ccc5c4)CC[C@@H]3C2)cs1 ZINC001205587866 1033480701 /nfs/dbraw/zinc/48/07/01/1033480701.db2.gz JIPDIGFBNRQYPI-DENIHFKCSA-N 2 2 396.560 3.656 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4ccc5[nH]ccc5c4)CC[C@@H]3C2)cs1 ZINC001205587866 1033480706 /nfs/dbraw/zinc/48/07/06/1033480706.db2.gz JIPDIGFBNRQYPI-DENIHFKCSA-N 2 2 396.560 3.656 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4ccc5[nH]ccc5c4)CC[C@@H]3C2)cs1 ZINC001205587866 1033480716 /nfs/dbraw/zinc/48/07/16/1033480716.db2.gz JIPDIGFBNRQYPI-DENIHFKCSA-N 2 2 396.560 3.656 20 0 GHADLP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)s1 ZINC001205767790 1033564878 /nfs/dbraw/zinc/56/48/78/1033564878.db2.gz APEIARHUURZOMU-SNVBAGLBSA-N 2 2 394.413 3.583 20 0 GHADLP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)s1 ZINC001205767790 1033564884 /nfs/dbraw/zinc/56/48/84/1033564884.db2.gz APEIARHUURZOMU-SNVBAGLBSA-N 2 2 394.413 3.583 20 0 GHADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(Br)c(OC(F)(F)F)c1 ZINC001205913149 1033632564 /nfs/dbraw/zinc/63/25/64/1033632564.db2.gz HFWAZDWKMFPHIA-PWSUYJOCSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Br)c(OC(F)(F)F)c1 ZINC001205913149 1033632552 /nfs/dbraw/zinc/63/25/52/1033632552.db2.gz HFWAZDWKMFPHIA-PWSUYJOCSA-N 2 2 381.236 3.907 20 0 GHADLP CC(C)[NH+]1CC(Nc2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)C1 ZINC001157529428 1033642351 /nfs/dbraw/zinc/64/23/51/1033642351.db2.gz CCLGJUGWUKJQPK-UHFFFAOYSA-N 2 2 381.549 3.924 20 0 GHADLP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206565440 1033909439 /nfs/dbraw/zinc/90/94/39/1033909439.db2.gz SUXZAGOHRHSZGT-FQEVSTJZSA-N 2 2 377.916 3.949 20 0 GHADLP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206565440 1033909444 /nfs/dbraw/zinc/90/94/44/1033909444.db2.gz SUXZAGOHRHSZGT-FQEVSTJZSA-N 2 2 377.916 3.949 20 0 GHADLP Cc1ccc(I)c(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206607192 1033923366 /nfs/dbraw/zinc/92/33/66/1033923366.db2.gz XONVSLGQSXUSCB-INIZCTEOSA-N 2 2 386.321 3.952 20 0 GHADLP Cc1ccc(I)c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206607192 1033923370 /nfs/dbraw/zinc/92/33/70/1033923370.db2.gz XONVSLGQSXUSCB-INIZCTEOSA-N 2 2 386.321 3.952 20 0 GHADLP CCC[C@@H]1CN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC001230230072 1033955376 /nfs/dbraw/zinc/95/53/76/1033955376.db2.gz XPVFDOHYFYYYMC-JOCHJYFZSA-N 2 2 380.536 3.895 20 0 GHADLP CCC[C@@H]1CN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC[N@H+]1Cc1ccccc1 ZINC001230230072 1033955384 /nfs/dbraw/zinc/95/53/84/1033955384.db2.gz XPVFDOHYFYYYMC-JOCHJYFZSA-N 2 2 380.536 3.895 20 0 GHADLP COC(=O)c1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001206734876 1033962310 /nfs/dbraw/zinc/96/23/10/1033962310.db2.gz JJIRDFJAZWWQNT-HSZRJFAPSA-N 2 2 394.515 3.643 20 0 GHADLP COC(=O)c1cccc([C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001206734876 1033962313 /nfs/dbraw/zinc/96/23/13/1033962313.db2.gz JJIRDFJAZWWQNT-HSZRJFAPSA-N 2 2 394.515 3.643 20 0 GHADLP O=C(CC1=C(c2ccccc2)[NH2+]C(c2ccccc2)S1)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158413788 1034068225 /nfs/dbraw/zinc/06/82/25/1034068225.db2.gz ABTSCRJFYLRBBW-RTBURBONSA-N 2 2 390.532 3.582 20 0 GHADLP C[C@@H]1CCCN(c2cc(N(Cc3ccc(F)cc3)C3CC[NH+](C)CC3)nc[nH+]2)C1 ZINC001158454494 1034085855 /nfs/dbraw/zinc/08/58/55/1034085855.db2.gz PXGMEVXHXWFWQR-GOSISDBHSA-N 2 2 397.542 3.953 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207182503 1034151058 /nfs/dbraw/zinc/15/10/58/1034151058.db2.gz LBNOQSOIMOBFHE-KSEOMHKRSA-N 2 2 392.971 3.504 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207182503 1034151064 /nfs/dbraw/zinc/15/10/64/1034151064.db2.gz LBNOQSOIMOBFHE-KSEOMHKRSA-N 2 2 392.971 3.504 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207182503 1034151070 /nfs/dbraw/zinc/15/10/70/1034151070.db2.gz LBNOQSOIMOBFHE-KSEOMHKRSA-N 2 2 392.971 3.504 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207182503 1034151076 /nfs/dbraw/zinc/15/10/76/1034151076.db2.gz LBNOQSOIMOBFHE-KSEOMHKRSA-N 2 2 392.971 3.504 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](CC4CCC(F)(F)CC4)CC[C@@H]3C2)cs1 ZINC001207346790 1034294091 /nfs/dbraw/zinc/29/40/91/1034294091.db2.gz AWAUCHVLYFXJIQ-IEBWSBKVSA-N 2 2 399.551 3.800 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](CC4CCC(F)(F)CC4)CC[C@@H]3C2)cs1 ZINC001207346790 1034294105 /nfs/dbraw/zinc/29/41/05/1034294105.db2.gz AWAUCHVLYFXJIQ-IEBWSBKVSA-N 2 2 399.551 3.800 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](CC4CCC(F)(F)CC4)CC[C@@H]3C2)cs1 ZINC001207346790 1034294114 /nfs/dbraw/zinc/29/41/14/1034294114.db2.gz AWAUCHVLYFXJIQ-IEBWSBKVSA-N 2 2 399.551 3.800 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](CC4CCC(F)(F)CC4)CC[C@@H]3C2)cs1 ZINC001207346790 1034294125 /nfs/dbraw/zinc/29/41/25/1034294125.db2.gz AWAUCHVLYFXJIQ-IEBWSBKVSA-N 2 2 399.551 3.800 20 0 GHADLP c1cnn(Cc2c[nH+]c3n2CC[N@H+](CC(c2ccccc2)c2ccccc2)CC3)c1 ZINC001207525159 1034427689 /nfs/dbraw/zinc/42/76/89/1034427689.db2.gz BWTBDUKZRDKJIY-UHFFFAOYSA-N 2 2 397.526 3.818 20 0 GHADLP COC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001231426107 1034574331 /nfs/dbraw/zinc/57/43/31/1034574331.db2.gz LQNUVMLZYCVCJE-LRQRDZAKSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001231426107 1034574337 /nfs/dbraw/zinc/57/43/37/1034574337.db2.gz LQNUVMLZYCVCJE-LRQRDZAKSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001231426107 1034574343 /nfs/dbraw/zinc/57/43/43/1034574343.db2.gz LQNUVMLZYCVCJE-LRQRDZAKSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001231426107 1034574354 /nfs/dbraw/zinc/57/43/54/1034574354.db2.gz LQNUVMLZYCVCJE-LRQRDZAKSA-N 2 2 399.560 3.662 20 0 GHADLP Nc1cc(Cl)[nH+]c(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC001159521498 1034636531 /nfs/dbraw/zinc/63/65/31/1034636531.db2.gz XMMQESNXNDATEV-FQEVSTJZSA-N 2 2 396.922 3.792 20 0 GHADLP C[C@@H](C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1)c1ccccc1 ZINC001207913502 1034656179 /nfs/dbraw/zinc/65/61/79/1034656179.db2.gz LYZYEDWDUQTOFZ-AZUAARDMSA-N 2 2 387.568 3.854 20 0 GHADLP C[C@@H](C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1)c1ccccc1 ZINC001207913502 1034656187 /nfs/dbraw/zinc/65/61/87/1034656187.db2.gz LYZYEDWDUQTOFZ-AZUAARDMSA-N 2 2 387.568 3.854 20 0 GHADLP CN(c1ccc(Nc2ccccc2C(=O)N2CC[NH2+]CC2)c[nH+]1)C1CCCCC1 ZINC001159555361 1034663180 /nfs/dbraw/zinc/66/31/80/1034663180.db2.gz SLBZONMVDSLHEW-UHFFFAOYSA-N 2 2 393.535 3.640 20 0 GHADLP Fc1cc(OCC[NH+]2CCOCC2)ccc1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159598440 1034685238 /nfs/dbraw/zinc/68/52/38/1034685238.db2.gz MJQCZLAQNJTEFE-UHFFFAOYSA-N 2 2 399.510 3.747 20 0 GHADLP Cc1ccc(-c2ccc(C[NH+]3C[C@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)cc2)o1 ZINC001231596046 1034750641 /nfs/dbraw/zinc/75/06/41/1034750641.db2.gz GILLZMIYDAUZPD-DHIUTWEWSA-N 2 2 390.531 3.942 20 0 GHADLP Cc1ccc(-c2ccc(C[NH+]3C[C@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)cc2)o1 ZINC001231596046 1034750655 /nfs/dbraw/zinc/75/06/55/1034750655.db2.gz GILLZMIYDAUZPD-DHIUTWEWSA-N 2 2 390.531 3.942 20 0 GHADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH+](Cc5cnn(C)c5)CC[C@@H]4C3)cc2)o1 ZINC001231596046 1034750670 /nfs/dbraw/zinc/75/06/70/1034750670.db2.gz GILLZMIYDAUZPD-DHIUTWEWSA-N 2 2 390.531 3.942 20 0 GHADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH+](Cc5cnn(C)c5)CC[C@@H]4C3)cc2)o1 ZINC001231596046 1034750684 /nfs/dbraw/zinc/75/06/84/1034750684.db2.gz GILLZMIYDAUZPD-DHIUTWEWSA-N 2 2 390.531 3.942 20 0 GHADLP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001208207454 1034797802 /nfs/dbraw/zinc/79/78/02/1034797802.db2.gz YLUPQRMDIDPHOY-IBGZPJMESA-N 2 2 393.620 3.946 20 0 GHADLP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001208207454 1034797810 /nfs/dbraw/zinc/79/78/10/1034797810.db2.gz YLUPQRMDIDPHOY-IBGZPJMESA-N 2 2 393.620 3.946 20 0 GHADLP COC(C)(C)CCC[C@H](C)CC[NH+]1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001208207454 1034797815 /nfs/dbraw/zinc/79/78/15/1034797815.db2.gz YLUPQRMDIDPHOY-IBGZPJMESA-N 2 2 393.620 3.946 20 0 GHADLP COC(C)(C)CCC[C@H](C)CC[NH+]1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001208207454 1034797822 /nfs/dbraw/zinc/79/78/22/1034797822.db2.gz YLUPQRMDIDPHOY-IBGZPJMESA-N 2 2 393.620 3.946 20 0 GHADLP Oc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)ccc1Cl ZINC001231739053 1034873936 /nfs/dbraw/zinc/87/39/36/1034873936.db2.gz WTZSXHONTQRHJV-UHFFFAOYSA-N 2 2 386.923 3.913 20 0 GHADLP Oc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)ccc1Cl ZINC001231739053 1034873946 /nfs/dbraw/zinc/87/39/46/1034873946.db2.gz WTZSXHONTQRHJV-UHFFFAOYSA-N 2 2 386.923 3.913 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC001231842324 1034936727 /nfs/dbraw/zinc/93/67/27/1034936727.db2.gz PHKHVYYYDOTCCT-QGZVFWFLSA-N 2 2 384.480 3.785 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC001231842324 1034936733 /nfs/dbraw/zinc/93/67/33/1034936733.db2.gz PHKHVYYYDOTCCT-QGZVFWFLSA-N 2 2 384.480 3.785 20 0 GHADLP COC(=O)[C@H]1CC[C@H](C[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)CC1 ZINC001208630680 1034960772 /nfs/dbraw/zinc/96/07/72/1034960772.db2.gz XMYOZDDABSAGPT-QAQDUYKDSA-N 2 2 393.487 3.973 20 0 GHADLP COc1ccc(CC[NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)cc1OC ZINC001208756792 1035002375 /nfs/dbraw/zinc/00/23/75/1035002375.db2.gz BHHNGTRCWWMYEH-UHFFFAOYSA-N 2 2 386.511 3.982 20 0 GHADLP COc1ccc(CC[NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)cc1OC ZINC001208756792 1035002381 /nfs/dbraw/zinc/00/23/81/1035002381.db2.gz BHHNGTRCWWMYEH-UHFFFAOYSA-N 2 2 386.511 3.982 20 0 GHADLP Cc1cc(C[N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)cc(C)n1 ZINC001231999068 1035033243 /nfs/dbraw/zinc/03/32/43/1035033243.db2.gz KVXGWHHCYPFMSH-NRFANRHFSA-N 2 2 386.490 3.827 20 0 GHADLP Cc1cc(C[N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)cc(C)n1 ZINC001231999068 1035033249 /nfs/dbraw/zinc/03/32/49/1035033249.db2.gz KVXGWHHCYPFMSH-NRFANRHFSA-N 2 2 386.490 3.827 20 0 GHADLP Cc1cc(C[NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc(C)n1 ZINC001231999068 1035033255 /nfs/dbraw/zinc/03/32/55/1035033255.db2.gz KVXGWHHCYPFMSH-NRFANRHFSA-N 2 2 386.490 3.827 20 0 GHADLP Cc1cc(C[NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc(C)n1 ZINC001231999068 1035033263 /nfs/dbraw/zinc/03/32/63/1035033263.db2.gz KVXGWHHCYPFMSH-NRFANRHFSA-N 2 2 386.490 3.827 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCCCCOCc4ccccc4)C[C@H]3C2)cn1 ZINC001208812243 1035035126 /nfs/dbraw/zinc/03/51/26/1035035126.db2.gz GIEVPFJFELIBOM-RPWUZVMVSA-N 2 2 396.579 3.561 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCCCCOCc4ccccc4)C[C@H]3C2)cn1 ZINC001208812243 1035035133 /nfs/dbraw/zinc/03/51/33/1035035133.db2.gz GIEVPFJFELIBOM-RPWUZVMVSA-N 2 2 396.579 3.561 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCCCCOCc4ccccc4)C[C@H]3C2)cn1 ZINC001208812243 1035035139 /nfs/dbraw/zinc/03/51/39/1035035139.db2.gz GIEVPFJFELIBOM-RPWUZVMVSA-N 2 2 396.579 3.561 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCCCCOCc4ccccc4)C[C@H]3C2)cn1 ZINC001208812243 1035035143 /nfs/dbraw/zinc/03/51/43/1035035143.db2.gz GIEVPFJFELIBOM-RPWUZVMVSA-N 2 2 396.579 3.561 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@@H]1C(F)(F)F ZINC001232018370 1035046468 /nfs/dbraw/zinc/04/64/68/1035046468.db2.gz JPTVLEGVXOGKQN-GOEBONIOSA-N 2 2 398.429 3.840 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@@H]1C(F)(F)F ZINC001232018370 1035046475 /nfs/dbraw/zinc/04/64/75/1035046475.db2.gz JPTVLEGVXOGKQN-GOEBONIOSA-N 2 2 398.429 3.840 20 0 GHADLP COc1ccc(-c2c(C[N@@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)cnn2C)cc1 ZINC001232111033 1035100174 /nfs/dbraw/zinc/10/01/74/1035100174.db2.gz QBVWAIZVXWVETG-UHFFFAOYSA-N 2 2 387.487 3.913 20 0 GHADLP Clc1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)nc1 ZINC001208938209 1035106693 /nfs/dbraw/zinc/10/66/93/1035106693.db2.gz ABVJFIIEUFZKMO-FQEVSTJZSA-N 2 2 384.955 3.769 20 0 GHADLP Clc1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC001208938209 1035106697 /nfs/dbraw/zinc/10/66/97/1035106697.db2.gz ABVJFIIEUFZKMO-FQEVSTJZSA-N 2 2 384.955 3.769 20 0 GHADLP CC[C@H]1C[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208948500 1035118579 /nfs/dbraw/zinc/11/85/79/1035118579.db2.gz GNVWAVZVVMHPGA-RTWAWAEBSA-N 2 2 387.568 3.840 20 0 GHADLP CC[C@H]1C[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208948500 1035118583 /nfs/dbraw/zinc/11/85/83/1035118583.db2.gz GNVWAVZVVMHPGA-RTWAWAEBSA-N 2 2 387.568 3.840 20 0 GHADLP CC[C@H]1C[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208948500 1035118585 /nfs/dbraw/zinc/11/85/85/1035118585.db2.gz GNVWAVZVVMHPGA-RTWAWAEBSA-N 2 2 387.568 3.840 20 0 GHADLP CC[C@H]1C[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208948500 1035118587 /nfs/dbraw/zinc/11/85/87/1035118587.db2.gz GNVWAVZVVMHPGA-RTWAWAEBSA-N 2 2 387.568 3.840 20 0 GHADLP CC(C)(C)c1cc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)ccn1 ZINC001232217645 1035166890 /nfs/dbraw/zinc/16/68/90/1035166890.db2.gz VAVKSJVUFDGDMO-UHFFFAOYSA-N 2 2 381.568 3.620 20 0 GHADLP CC(C)(C)c1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)ccn1 ZINC001232217645 1035166896 /nfs/dbraw/zinc/16/68/96/1035166896.db2.gz VAVKSJVUFDGDMO-UHFFFAOYSA-N 2 2 381.568 3.620 20 0 GHADLP COc1cc2ccc(NCC3CC[NH+](Cc4ccccn4)CC3)[nH+]c2cc1OC ZINC001161245965 1035191496 /nfs/dbraw/zinc/19/14/96/1035191496.db2.gz ILRQZTXMKBAWQH-UHFFFAOYSA-N 2 2 392.503 3.971 20 0 GHADLP COc1ccc(Cn2c[nH+]cc2CNc2ccc(C[NH+]3CCCC3)cn2)cc1 ZINC001161510974 1035245934 /nfs/dbraw/zinc/24/59/34/1035245934.db2.gz ZNJWIGSMEHDFOJ-UHFFFAOYSA-N 2 2 377.492 3.543 20 0 GHADLP c1ccc(C[N@H+]2CC=C(c3ccc(OCC[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001241504109 1035596094 /nfs/dbraw/zinc/59/60/94/1035596094.db2.gz NCBKPGWCIVFXTM-UHFFFAOYSA-N 2 2 378.516 3.687 20 0 GHADLP c1ccc(C[N@@H+]2CC=C(c3ccc(OCC[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001241504109 1035596100 /nfs/dbraw/zinc/59/61/00/1035596100.db2.gz NCBKPGWCIVFXTM-UHFFFAOYSA-N 2 2 378.516 3.687 20 0 GHADLP Cc1cc(Oc2ccc(NC[C@@H](O)[C@@H]([NH3+])Cc3cc(F)cc(F)c3)cc2)cc[nH+]1 ZINC001245965417 1037089140 /nfs/dbraw/zinc/08/91/40/1037089140.db2.gz GDLKGXCRKZIHQW-FCHUYYIVSA-N 2 2 399.441 3.803 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@@H]([NH2+][C@H]4[C@H]5C[NH2+]C[C@H]54)C[C@@H]23)cc1 ZINC001246148027 1037214146 /nfs/dbraw/zinc/21/41/46/1037214146.db2.gz ORLFKJWHZDQVBW-DIVFVBEMSA-N 3 2 387.571 3.559 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@@H]([NH2+][C@H]4[C@H]5C[NH2+]C[C@H]54)C[C@@H]23)cc1 ZINC001246148027 1037214169 /nfs/dbraw/zinc/21/41/69/1037214169.db2.gz ORLFKJWHZDQVBW-DIVFVBEMSA-N 3 2 387.571 3.559 20 0 GHADLP [NH3+]CCCC[C@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)C(=O)OCc1ccccc1 ZINC001246191203 1037230562 /nfs/dbraw/zinc/23/05/62/1037230562.db2.gz LUQYRDQOKHFHAI-RJGXRXQPSA-N 2 2 396.531 3.737 20 0 GHADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2C(=O)OC)CC[NH2+]1 ZINC001246283119 1037276138 /nfs/dbraw/zinc/27/61/38/1037276138.db2.gz ZVHBLVNJXCPBCQ-CVEARBPZSA-N 2 2 383.330 3.636 20 0 GHADLP COC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246349132 1037309865 /nfs/dbraw/zinc/30/98/65/1037309865.db2.gz HACFTWHMZUUCLE-VDUSKEEQSA-N 2 2 399.362 3.980 20 0 GHADLP COc1cccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)c1 ZINC001246361959 1037323173 /nfs/dbraw/zinc/32/31/73/1037323173.db2.gz PPONRKLZUBANGS-AWRGLXIESA-N 2 2 397.538 3.800 20 0 GHADLP COc1cccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)c1 ZINC001246361959 1037323188 /nfs/dbraw/zinc/32/31/88/1037323188.db2.gz PPONRKLZUBANGS-AWRGLXIESA-N 2 2 397.538 3.800 20 0 GHADLP COc1cccc(CN2CC[C@H]([NH2+][C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)c1 ZINC001246361959 1037323214 /nfs/dbraw/zinc/32/32/14/1037323214.db2.gz PPONRKLZUBANGS-AWRGLXIESA-N 2 2 397.538 3.800 20 0 GHADLP Fc1ccc(CC2([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC[NH2+]CC2)cc1 ZINC001246390924 1037349905 /nfs/dbraw/zinc/34/99/05/1037349905.db2.gz MLKOIHZLBQEOFF-UHFFFAOYSA-N 3 2 381.539 3.745 20 0 GHADLP C[NH2+]CC[C@H](C)[NH2+][C@]1(O)C=Cc2ccccc2[C@H]1c1c(O)ccc2ccccc21 ZINC001246489706 1037434543 /nfs/dbraw/zinc/43/45/43/1037434543.db2.gz AQODYVFRPBUCKQ-HDBFHEOPSA-N 2 2 388.511 3.980 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CC[NH+](Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246522769 1037453822 /nfs/dbraw/zinc/45/38/22/1037453822.db2.gz GLGHFARLTBVESL-GMAHTHKFSA-N 2 2 385.502 3.884 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@@H]([N@@H+]2CCO[C@@]4(CCC[NH2+]C4)C2)CC3)cc1 ZINC001246625488 1037515376 /nfs/dbraw/zinc/51/53/76/1037515376.db2.gz WEKLQYZCGKOAMN-UKILVPOCSA-N 2 2 392.543 3.577 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@@H]([N@H+]2CCO[C@@]4(CCC[NH2+]C4)C2)CC3)cc1 ZINC001246625488 1037515386 /nfs/dbraw/zinc/51/53/86/1037515386.db2.gz WEKLQYZCGKOAMN-UKILVPOCSA-N 2 2 392.543 3.577 20 0 GHADLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)C[NH2+]1 ZINC001246657409 1037532053 /nfs/dbraw/zinc/53/20/53/1037532053.db2.gz HZCPXVIZSCYAAA-LPHRJVMESA-N 2 2 379.548 3.672 20 0 GHADLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)C[NH2+]1 ZINC001246657409 1037532058 /nfs/dbraw/zinc/53/20/58/1037532058.db2.gz HZCPXVIZSCYAAA-LPHRJVMESA-N 2 2 379.548 3.672 20 0 GHADLP c1ccc([C@@H]2C[C@H]([N@H+]3CCO[C@]4(CCCN(c5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246714229 1037564373 /nfs/dbraw/zinc/56/43/73/1037564373.db2.gz JYPGPAIPTFKDJJ-DSITVLBTSA-N 2 2 391.559 3.851 20 0 GHADLP c1ccc([C@@H]2C[C@H]([N@@H+]3CCO[C@]4(CCCN(c5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246714229 1037564383 /nfs/dbraw/zinc/56/43/83/1037564383.db2.gz JYPGPAIPTFKDJJ-DSITVLBTSA-N 2 2 391.559 3.851 20 0 GHADLP CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC001462198108 1070075322 /nfs/dbraw/zinc/07/53/22/1070075322.db2.gz FDHZOMONSRLPRM-PMACEKPBSA-N 2 2 382.508 3.568 20 0 GHADLP FC(F)(F)[C@H]1C[C@H]([NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)CCN1 ZINC001246776738 1037618171 /nfs/dbraw/zinc/61/81/71/1037618171.db2.gz OXLNRHQEIWRNOX-RDTXWAMCSA-N 2 2 398.860 3.693 20 0 GHADLP CC(C)(C)[C@H]1C[C@@H]([NH+]2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246780774 1037620435 /nfs/dbraw/zinc/62/04/35/1037620435.db2.gz DHSSRUCZJAXCIE-RBUKOAKNSA-N 2 2 394.401 3.733 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([NH+]2CCC(C(=O)OC(C)(C)C)CC2)CC[NH2+]1 ZINC001246791666 1037631367 /nfs/dbraw/zinc/63/13/67/1037631367.db2.gz LPTQFASFLRLIRP-UYAOXDASSA-N 2 2 376.516 3.981 20 0 GHADLP c1ccc(C[NH+](Cc2ccccc2)C2CCC([N@@H+]3C[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001246922321 1037728098 /nfs/dbraw/zinc/72/80/98/1037728098.db2.gz VRGBIXOHDOWWQN-WXPCENJTSA-N 3 2 375.560 3.904 20 0 GHADLP c1ccc(C[NH+](Cc2ccccc2)C2CCC([N@H+]3C[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001246922321 1037728117 /nfs/dbraw/zinc/72/81/17/1037728117.db2.gz VRGBIXOHDOWWQN-WXPCENJTSA-N 3 2 375.560 3.904 20 0 GHADLP COC(=O)c1ccc(C2C[NH+]([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)cc1 ZINC001246950821 1037752917 /nfs/dbraw/zinc/75/29/17/1037752917.db2.gz XTUDFSZOINAONT-IRLDBZIGSA-N 2 2 382.479 3.813 20 0 GHADLP O=C(N[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1)c1cccc(F)c1 ZINC001246954773 1037761862 /nfs/dbraw/zinc/76/18/62/1037761862.db2.gz MSWBJEGTWBMPCJ-BHIFYINESA-N 2 2 381.495 3.513 20 0 GHADLP O=C(N[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1)c1cccc(F)c1 ZINC001246954773 1037761885 /nfs/dbraw/zinc/76/18/85/1037761885.db2.gz MSWBJEGTWBMPCJ-BHIFYINESA-N 2 2 381.495 3.513 20 0 GHADLP Fc1cc(F)c(C[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C2CC[NH2+]CC2)c(F)c1 ZINC001246960093 1037778068 /nfs/dbraw/zinc/77/80/68/1037778068.db2.gz ZKXZDKBBZXSUTC-KRWDZBQOSA-N 3 2 381.486 3.580 20 0 GHADLP Fc1cc(F)c(C[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C2CC[NH2+]CC2)c(F)c1 ZINC001246960093 1037778083 /nfs/dbraw/zinc/77/80/83/1037778083.db2.gz ZKXZDKBBZXSUTC-KRWDZBQOSA-N 3 2 381.486 3.580 20 0 GHADLP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(C)n1 ZINC001232311711 1038072010 /nfs/dbraw/zinc/07/20/10/1038072010.db2.gz MFIZLIVPJAATGV-WWNPGLIZSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(C)n1 ZINC001232311711 1038072030 /nfs/dbraw/zinc/07/20/30/1038072030.db2.gz MFIZLIVPJAATGV-WWNPGLIZSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(C)n1 ZINC001232311711 1038072051 /nfs/dbraw/zinc/07/20/51/1038072051.db2.gz MFIZLIVPJAATGV-WWNPGLIZSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(C)n1 ZINC001232311711 1038072072 /nfs/dbraw/zinc/07/20/72/1038072072.db2.gz MFIZLIVPJAATGV-WWNPGLIZSA-N 2 2 394.563 3.916 20 0 GHADLP COc1cc(C)c(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)cn1 ZINC001232351236 1038131340 /nfs/dbraw/zinc/13/13/40/1038131340.db2.gz XCHOYONIPSLYLI-UHFFFAOYSA-N 2 2 384.524 3.634 20 0 GHADLP COc1cc(C)c(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)cn1 ZINC001232351236 1038131352 /nfs/dbraw/zinc/13/13/52/1038131352.db2.gz XCHOYONIPSLYLI-UHFFFAOYSA-N 2 2 384.524 3.634 20 0 GHADLP COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001232354070 1038133758 /nfs/dbraw/zinc/13/37/58/1038133758.db2.gz DLBWPBBLNQBWPK-NYVOZVTQSA-N 2 2 380.536 3.526 20 0 GHADLP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001232354070 1038133766 /nfs/dbraw/zinc/13/37/66/1038133766.db2.gz DLBWPBBLNQBWPK-NYVOZVTQSA-N 2 2 380.536 3.526 20 0 GHADLP COc1cc(C)c(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001232354070 1038133771 /nfs/dbraw/zinc/13/37/71/1038133771.db2.gz DLBWPBBLNQBWPK-NYVOZVTQSA-N 2 2 380.536 3.526 20 0 GHADLP COc1cc(C)c(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001232354070 1038133778 /nfs/dbraw/zinc/13/37/78/1038133778.db2.gz DLBWPBBLNQBWPK-NYVOZVTQSA-N 2 2 380.536 3.526 20 0 GHADLP Fc1cc(-c2noc([C@@H]3CC4CC[NH+]3CC4)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247370675 1038156015 /nfs/dbraw/zinc/15/60/15/1038156015.db2.gz FLBXKWAWDRDIEX-MOPGFXCFSA-N 2 2 379.439 3.765 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2cn3cc(Br)ccc3n2)C2CCCC2)CC1 ZINC001232418737 1038201087 /nfs/dbraw/zinc/20/10/87/1038201087.db2.gz TVYYORDEWLDDQS-UHFFFAOYSA-N 2 2 391.357 3.936 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2cn3cc(Br)ccc3n2)C2CCCC2)CC1 ZINC001232418737 1038201097 /nfs/dbraw/zinc/20/10/97/1038201097.db2.gz TVYYORDEWLDDQS-UHFFFAOYSA-N 2 2 391.357 3.936 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CCC1 ZINC001462260398 1070127999 /nfs/dbraw/zinc/12/79/99/1070127999.db2.gz QWZSNEYLSSCHFK-REWPJTCUSA-N 2 2 399.579 3.888 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CCC1 ZINC001462260398 1070128001 /nfs/dbraw/zinc/12/80/01/1070128001.db2.gz QWZSNEYLSSCHFK-REWPJTCUSA-N 2 2 399.579 3.888 20 0 GHADLP Cc1cc(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)cc(C)c1Br ZINC001247862430 1038433453 /nfs/dbraw/zinc/43/34/53/1038433453.db2.gz VXSZKSNLKGTHOB-CQSZACIVSA-N 2 2 391.313 3.663 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@H+](C)C3CC[NH+](C)CC3)c2n1 ZINC001232646648 1038433846 /nfs/dbraw/zinc/43/38/46/1038433846.db2.gz HXLQSUMUFVFSLA-UHFFFAOYSA-N 2 2 378.314 3.532 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@@H+](C)C3CC[NH+](C)CC3)c2n1 ZINC001232646648 1038433852 /nfs/dbraw/zinc/43/38/52/1038433852.db2.gz HXLQSUMUFVFSLA-UHFFFAOYSA-N 2 2 378.314 3.532 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc4ncsc43)CC2)CC1 ZINC001232729515 1038522209 /nfs/dbraw/zinc/52/22/09/1038522209.db2.gz AMYZQECERZIUOF-UHFFFAOYSA-N 2 2 387.549 3.536 20 0 GHADLP Cc1c(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)ccnc1Cl ZINC001232750197 1038533733 /nfs/dbraw/zinc/53/37/33/1038533733.db2.gz BKADPVZHCBIYLL-HKBOAZHASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1c(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)ccnc1Cl ZINC001232750197 1038533742 /nfs/dbraw/zinc/53/37/42/1038533742.db2.gz BKADPVZHCBIYLL-HKBOAZHASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)ccnc1Cl ZINC001232750197 1038533750 /nfs/dbraw/zinc/53/37/50/1038533750.db2.gz BKADPVZHCBIYLL-HKBOAZHASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)ccnc1Cl ZINC001232750197 1038533759 /nfs/dbraw/zinc/53/37/59/1038533759.db2.gz BKADPVZHCBIYLL-HKBOAZHASA-N 2 2 399.970 3.615 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1c(Cl)cc(Cl)nc1Cl)CC2 ZINC001232846653 1038595960 /nfs/dbraw/zinc/59/59/60/1038595960.db2.gz FJBWVWXPAXMRFC-UHFFFAOYSA-N 2 2 377.703 3.672 20 0 GHADLP Fc1cccc(-c2ccc(C[N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)cn2)c1 ZINC001232884718 1038665653 /nfs/dbraw/zinc/66/56/53/1038665653.db2.gz OLEGTMVALYKEPA-SZPZYZBQSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1cccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)cn2)c1 ZINC001232884718 1038665717 /nfs/dbraw/zinc/66/57/17/1038665717.db2.gz OLEGTMVALYKEPA-SZPZYZBQSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1cccc(-c2ccc(C[NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)cn2)c1 ZINC001232884718 1038665756 /nfs/dbraw/zinc/66/57/56/1038665756.db2.gz OLEGTMVALYKEPA-SZPZYZBQSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1cccc(-c2ccc(C[NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)cn2)c1 ZINC001232884718 1038665792 /nfs/dbraw/zinc/66/57/92/1038665792.db2.gz OLEGTMVALYKEPA-SZPZYZBQSA-N 2 2 388.490 3.847 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2ccccc2-n2cccc2)CC3)n1 ZINC001232909436 1038706441 /nfs/dbraw/zinc/70/64/41/1038706441.db2.gz FQHYJDAPBYPHKR-UHFFFAOYSA-N 2 2 389.547 3.841 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2ccccc2-n2cccc2)CC3)n1 ZINC001232909436 1038706447 /nfs/dbraw/zinc/70/64/47/1038706447.db2.gz FQHYJDAPBYPHKR-UHFFFAOYSA-N 2 2 389.547 3.841 20 0 GHADLP Oc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1OCC1CC1 ZINC001233224882 1038985292 /nfs/dbraw/zinc/98/52/92/1038985292.db2.gz DALXOLIXUJYQEA-OALUTQOASA-N 2 2 384.545 3.806 20 0 GHADLP Cc1ccc(Cl)cc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001233249327 1039010420 /nfs/dbraw/zinc/01/04/20/1039010420.db2.gz RKCCRXPYVDYSTD-GIVPXCGWSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1ccc(Cl)cc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001233249327 1039010443 /nfs/dbraw/zinc/01/04/43/1039010443.db2.gz RKCCRXPYVDYSTD-GIVPXCGWSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001233249327 1039010459 /nfs/dbraw/zinc/01/04/59/1039010459.db2.gz RKCCRXPYVDYSTD-GIVPXCGWSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1ccc(Cl)cc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001233249327 1039010476 /nfs/dbraw/zinc/01/04/76/1039010476.db2.gz RKCCRXPYVDYSTD-GIVPXCGWSA-N 2 2 387.959 3.613 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)CC2)nc(C)[nH+]1 ZINC001233338880 1039141944 /nfs/dbraw/zinc/14/19/44/1039141944.db2.gz JAIXXYFDBGNXFY-UHFFFAOYSA-N 2 2 397.523 3.763 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC001233526440 1039412069 /nfs/dbraw/zinc/41/20/69/1039412069.db2.gz JRQKVJRIEFPSEW-XMMPIXPASA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC001233526440 1039412078 /nfs/dbraw/zinc/41/20/78/1039412078.db2.gz JRQKVJRIEFPSEW-XMMPIXPASA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001233526440 1039412084 /nfs/dbraw/zinc/41/20/84/1039412084.db2.gz JRQKVJRIEFPSEW-XMMPIXPASA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001233526440 1039412093 /nfs/dbraw/zinc/41/20/93/1039412093.db2.gz JRQKVJRIEFPSEW-XMMPIXPASA-N 2 2 394.515 3.580 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001462384136 1070215970 /nfs/dbraw/zinc/21/59/70/1070215970.db2.gz CDZKTMQZFXAXTP-FHLIZLRMSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001462384136 1070215975 /nfs/dbraw/zinc/21/59/75/1070215975.db2.gz CDZKTMQZFXAXTP-FHLIZLRMSA-N 2 2 394.357 3.773 20 0 GHADLP COc1cc(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)ccc1-n1ccnc1 ZINC001234066206 1039800644 /nfs/dbraw/zinc/80/06/44/1039800644.db2.gz IZJBONPXPBQLRL-UHFFFAOYSA-N 2 2 390.531 3.977 20 0 GHADLP COc1cc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)ccc1-n1ccnc1 ZINC001234066206 1039800657 /nfs/dbraw/zinc/80/06/57/1039800657.db2.gz IZJBONPXPBQLRL-UHFFFAOYSA-N 2 2 390.531 3.977 20 0 GHADLP COc1cc(C[NH+]2CCC3(CC2)OCc2ccccc23)ccc1-n1cc[nH+]c1 ZINC001234066822 1039800842 /nfs/dbraw/zinc/80/08/42/1039800842.db2.gz PZHDKHPBNPPDOI-UHFFFAOYSA-N 2 2 375.472 3.902 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001462427543 1070245831 /nfs/dbraw/zinc/24/58/31/1070245831.db2.gz KMWZCYDCIRTAIY-MSOLQXFVSA-N 2 2 379.976 3.787 20 0 GHADLP Brc1ccc2c(c1)C[C@@H]([NH2+]CC1CCN(c3cccc[nH+]3)CC1)C2 ZINC001254269917 1040114364 /nfs/dbraw/zinc/11/43/64/1040114364.db2.gz NHHJJJFPPIUMHG-IBGZPJMESA-N 2 2 386.337 3.818 20 0 GHADLP Cc1[nH]c(C[NH+]2CCC3(C[C@H](NC(=O)N(C)C)c4cc(C)ccc43)CC2)c(C)[nH+]1 ZINC001234626088 1040176733 /nfs/dbraw/zinc/17/67/33/1040176733.db2.gz BTZYZZSDKISMIL-FQEVSTJZSA-N 2 2 395.551 3.585 20 0 GHADLP CCC[C@H](CCc1ccccc1)[N@@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001254492350 1040277304 /nfs/dbraw/zinc/27/73/04/1040277304.db2.gz GGMHLWMJLGEWBC-DNQXCXABSA-N 2 2 388.596 3.849 20 0 GHADLP CCC[C@H](CCc1ccccc1)[N@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001254492350 1040277320 /nfs/dbraw/zinc/27/73/20/1040277320.db2.gz GGMHLWMJLGEWBC-DNQXCXABSA-N 2 2 388.596 3.849 20 0 GHADLP CCC[C@H](CCc1ccccc1)[NH+]1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001254492350 1040277334 /nfs/dbraw/zinc/27/73/34/1040277334.db2.gz GGMHLWMJLGEWBC-DNQXCXABSA-N 2 2 388.596 3.849 20 0 GHADLP CCC[C@H](CCc1ccccc1)[NH+]1CCC[C@@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001254492350 1040277351 /nfs/dbraw/zinc/27/73/51/1040277351.db2.gz GGMHLWMJLGEWBC-DNQXCXABSA-N 2 2 388.596 3.849 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001254492353 1040277740 /nfs/dbraw/zinc/27/77/40/1040277740.db2.gz GGMHLWMJLGEWBC-ZEQRLZLVSA-N 2 2 388.596 3.849 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[N@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001254492353 1040277754 /nfs/dbraw/zinc/27/77/54/1040277754.db2.gz GGMHLWMJLGEWBC-ZEQRLZLVSA-N 2 2 388.596 3.849 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[NH+]1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001254492353 1040277768 /nfs/dbraw/zinc/27/77/68/1040277768.db2.gz GGMHLWMJLGEWBC-ZEQRLZLVSA-N 2 2 388.596 3.849 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[NH+]1CCC[C@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001254492353 1040277784 /nfs/dbraw/zinc/27/77/84/1040277784.db2.gz GGMHLWMJLGEWBC-ZEQRLZLVSA-N 2 2 388.596 3.849 20 0 GHADLP FC(F)(F)Oc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(OCc2ccccc2)c1 ZINC001234982403 1040483205 /nfs/dbraw/zinc/48/32/05/1040483205.db2.gz SPSQZHAKJGBCDH-HDICACEKSA-N 2 2 392.421 3.815 20 0 GHADLP FC(F)(F)Oc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(OCc2ccccc2)c1 ZINC001234982403 1040483217 /nfs/dbraw/zinc/48/32/17/1040483217.db2.gz SPSQZHAKJGBCDH-HDICACEKSA-N 2 2 392.421 3.815 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1cc(C)c(OC)c(C)c1)CC2 ZINC001235017020 1040504272 /nfs/dbraw/zinc/50/42/72/1040504272.db2.gz BJFPSOLMMJOTCU-UHFFFAOYSA-N 2 2 380.532 3.958 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1cc(C)c(OC)c(C)c1)CC2 ZINC001235017020 1040504285 /nfs/dbraw/zinc/50/42/85/1040504285.db2.gz BJFPSOLMMJOTCU-UHFFFAOYSA-N 2 2 380.532 3.958 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]21 ZINC001254798527 1040560572 /nfs/dbraw/zinc/56/05/72/1040560572.db2.gz SBMXYUQQARCTLJ-AZUAARDMSA-N 2 2 391.600 3.972 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]21 ZINC001254798527 1040560588 /nfs/dbraw/zinc/56/05/88/1040560588.db2.gz SBMXYUQQARCTLJ-AZUAARDMSA-N 2 2 391.600 3.972 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]21 ZINC001254798527 1040560604 /nfs/dbraw/zinc/56/06/04/1040560604.db2.gz SBMXYUQQARCTLJ-AZUAARDMSA-N 2 2 391.600 3.972 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]21 ZINC001254798527 1040560623 /nfs/dbraw/zinc/56/06/23/1040560623.db2.gz SBMXYUQQARCTLJ-AZUAARDMSA-N 2 2 391.600 3.972 20 0 GHADLP Brc1ccccc1CC1([NH2+][C@H]2CC3CC[NH+](CC3)C2)CCOCC1 ZINC001254848437 1040593131 /nfs/dbraw/zinc/59/31/31/1040593131.db2.gz PWLHANPIUNGTSK-SFHVURJKSA-N 2 2 393.369 3.615 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)CC1 ZINC001254853371 1040596845 /nfs/dbraw/zinc/59/68/45/1040596845.db2.gz OBIITFVNMBFNGN-LJQANCHMSA-N 2 2 377.573 3.584 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CCC[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)CC1 ZINC001254853371 1040596870 /nfs/dbraw/zinc/59/68/70/1040596870.db2.gz OBIITFVNMBFNGN-LJQANCHMSA-N 2 2 377.573 3.584 20 0 GHADLP CC1CC[NH+](CC[NH2+]C2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001254865550 1040608873 /nfs/dbraw/zinc/60/88/73/1040608873.db2.gz DOPPJPXTPALLER-UHFFFAOYSA-N 2 2 379.589 3.878 20 0 GHADLP C[NH+]1CCC2(C[NH+](Cc3ccc(Br)c(OC(F)(F)F)c3)C2)CC1 ZINC001235184852 1040675108 /nfs/dbraw/zinc/67/51/08/1040675108.db2.gz SCOGQZRVSVRMJK-UHFFFAOYSA-N 2 2 393.247 3.875 20 0 GHADLP Fc1cccc2cc(C[N@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)[nH]c21 ZINC001235244973 1040727103 /nfs/dbraw/zinc/72/71/03/1040727103.db2.gz VDVNKRGDIIXVDH-UHFFFAOYSA-N 2 2 381.499 3.548 20 0 GHADLP Fc1cccc2cc(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)[nH]c21 ZINC001235244973 1040727119 /nfs/dbraw/zinc/72/71/19/1040727119.db2.gz VDVNKRGDIIXVDH-UHFFFAOYSA-N 2 2 381.499 3.548 20 0 GHADLP CC(C)NC(=O)c1ccc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235251736 1040733761 /nfs/dbraw/zinc/73/37/61/1040733761.db2.gz WDKRHRLPBRIUJB-ISKFKSNPSA-N 2 2 377.532 3.546 20 0 GHADLP CC(C)NC(=O)c1ccc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235251736 1040733781 /nfs/dbraw/zinc/73/37/81/1040733781.db2.gz WDKRHRLPBRIUJB-ISKFKSNPSA-N 2 2 377.532 3.546 20 0 GHADLP COc1ccc(C[NH+]2CCC(N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001255098661 1040781224 /nfs/dbraw/zinc/78/12/24/1040781224.db2.gz DQPWVIQJSLSRSI-HSZRJFAPSA-N 2 2 379.548 3.524 20 0 GHADLP COc1ccc(C[NH+]2CCC(N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001255098661 1040781234 /nfs/dbraw/zinc/78/12/34/1040781234.db2.gz DQPWVIQJSLSRSI-HSZRJFAPSA-N 2 2 379.548 3.524 20 0 GHADLP Cc1ccc(F)cc1C[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255108222 1040789016 /nfs/dbraw/zinc/78/90/16/1040789016.db2.gz LTGMPURHNVLJFD-XMMPIXPASA-N 2 2 381.539 3.963 20 0 GHADLP Cc1ccc(F)cc1C[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255108222 1040789029 /nfs/dbraw/zinc/78/90/29/1040789029.db2.gz LTGMPURHNVLJFD-XMMPIXPASA-N 2 2 381.539 3.963 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235349211 1040822729 /nfs/dbraw/zinc/82/27/29/1040822729.db2.gz NYPRBYPURZBCSY-QLBJFCOMSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235349211 1040822752 /nfs/dbraw/zinc/82/27/52/1040822752.db2.gz NYPRBYPURZBCSY-QLBJFCOMSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235349211 1040822760 /nfs/dbraw/zinc/82/27/60/1040822760.db2.gz NYPRBYPURZBCSY-QLBJFCOMSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235349211 1040822786 /nfs/dbraw/zinc/82/27/86/1040822786.db2.gz NYPRBYPURZBCSY-QLBJFCOMSA-N 3 2 375.560 3.588 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc(F)c1OC ZINC001235364344 1040851312 /nfs/dbraw/zinc/85/13/12/1040851312.db2.gz LRDDPEOCNLCIIM-WMZHIEFXSA-N 2 2 384.495 3.596 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc(F)c1OC ZINC001235364344 1040851331 /nfs/dbraw/zinc/85/13/31/1040851331.db2.gz LRDDPEOCNLCIIM-WMZHIEFXSA-N 2 2 384.495 3.596 20 0 GHADLP FC1(F)CN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@H]1[NH+]1CCCC1 ZINC001255149367 1040866934 /nfs/dbraw/zinc/86/69/34/1040866934.db2.gz IAPKRUWLROYLSK-CLAROIROSA-N 2 2 389.534 3.987 20 0 GHADLP FC1(F)CN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@H]1[NH+]1CCCC1 ZINC001255149367 1040866942 /nfs/dbraw/zinc/86/69/42/1040866942.db2.gz IAPKRUWLROYLSK-CLAROIROSA-N 2 2 389.534 3.987 20 0 GHADLP CC(C)Sc1nccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)n1 ZINC001235379074 1040896123 /nfs/dbraw/zinc/89/61/23/1040896123.db2.gz GEIRAWXLVAKNCE-UGKGYDQZSA-N 2 2 382.577 3.730 20 0 GHADLP CC(C)Sc1nccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)n1 ZINC001235379074 1040896154 /nfs/dbraw/zinc/89/61/54/1040896154.db2.gz GEIRAWXLVAKNCE-UGKGYDQZSA-N 2 2 382.577 3.730 20 0 GHADLP Clc1cc2[nH]cc(C[N@@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)c2cn1 ZINC001235382006 1040901731 /nfs/dbraw/zinc/90/17/31/1040901731.db2.gz LXBOAJYIBKTVFZ-AVRDEDQJSA-N 2 2 380.923 3.970 20 0 GHADLP Clc1cc2[nH]cc(C[N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)c2cn1 ZINC001235382006 1040901743 /nfs/dbraw/zinc/90/17/43/1040901743.db2.gz LXBOAJYIBKTVFZ-AVRDEDQJSA-N 2 2 380.923 3.970 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)CC2)cc1 ZINC001255402051 1040988972 /nfs/dbraw/zinc/98/89/72/1040988972.db2.gz LUOMIAZNFUIUPG-UEQSERJNSA-N 2 2 384.564 3.700 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)CC2)cc1 ZINC001255402051 1040988980 /nfs/dbraw/zinc/98/89/80/1040988980.db2.gz LUOMIAZNFUIUPG-UEQSERJNSA-N 2 2 384.564 3.700 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)CC2)cc1 ZINC001255402051 1040988981 /nfs/dbraw/zinc/98/89/81/1040988981.db2.gz LUOMIAZNFUIUPG-UEQSERJNSA-N 2 2 384.564 3.700 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)CC2)cc1 ZINC001255402051 1040988983 /nfs/dbraw/zinc/98/89/83/1040988983.db2.gz LUOMIAZNFUIUPG-UEQSERJNSA-N 2 2 384.564 3.700 20 0 GHADLP FC(F)(F)C1CCC([NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)CC1 ZINC001255515069 1041103355 /nfs/dbraw/zinc/10/33/55/1041103355.db2.gz JIKYMOLIGJJGFS-UHFFFAOYSA-N 2 2 383.458 3.874 20 0 GHADLP COc1ccc([C@H]([NH3+])[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)c2ccc(OC)cc2)cc1 ZINC001255530003 1041112598 /nfs/dbraw/zinc/11/25/98/1041112598.db2.gz XZGJDBJGEXWSCF-COPCDDAFSA-N 2 2 384.520 3.992 20 0 GHADLP Cc1ccc(C[NH+]2CCOC3(CC[NH+](C4C[C@H]5CCC[C@@H](C4)[N@H+]5C)CC3)C2)cc1 ZINC001255679066 1041209953 /nfs/dbraw/zinc/20/99/53/1041209953.db2.gz QIVMHMLIENSPHL-VSGJHWFKSA-N 3 2 397.607 3.677 20 0 GHADLP Cc1ccc(C[NH+]2CCOC3(CC[NH+](C4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)CC3)C2)cc1 ZINC001255679066 1041209970 /nfs/dbraw/zinc/20/99/70/1041209970.db2.gz QIVMHMLIENSPHL-VSGJHWFKSA-N 3 2 397.607 3.677 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](C4C[C@H]5CCC[C@@H](C4)[NH+]5C)CC3)C2)cc1 ZINC001255679066 1041209983 /nfs/dbraw/zinc/20/99/83/1041209983.db2.gz QIVMHMLIENSPHL-VSGJHWFKSA-N 3 2 397.607 3.677 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C4C[C@H]5CCC[C@@H](C4)[NH+]5C)CC3)C2)cc1 ZINC001255679066 1041209999 /nfs/dbraw/zinc/20/99/99/1041209999.db2.gz QIVMHMLIENSPHL-VSGJHWFKSA-N 3 2 397.607 3.677 20 0 GHADLP Cc1c(CN2CC[NH2+][C@H](c3cccc(Br)c3)C2)[nH+]c2ccccn12 ZINC001235792221 1041286219 /nfs/dbraw/zinc/28/62/19/1041286219.db2.gz MKVRWZUBRHMXJZ-SFHVURJKSA-N 2 2 385.309 3.552 20 0 GHADLP CC1([NH+]2CCN(Cc3cc4cccc(Cl)c4nc3Cl)CC2)CC[NH2+]CC1 ZINC001235816316 1041331018 /nfs/dbraw/zinc/33/10/18/1041331018.db2.gz UTZHYQTVGFYYSQ-UHFFFAOYSA-N 2 2 393.362 3.801 20 0 GHADLP CC1([NH+]2CCN(Cc3ccc(C(F)(F)F)c(Cl)c3)CC2)CC[NH2+]CC1 ZINC001235822669 1041340524 /nfs/dbraw/zinc/34/05/24/1041340524.db2.gz QLRUSBQKTLPYIN-UHFFFAOYSA-N 2 2 375.866 3.619 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC001255913000 1041394665 /nfs/dbraw/zinc/39/46/65/1041394665.db2.gz AEQOBOSGWNTXFJ-JOCHJYFZSA-N 2 2 399.579 3.909 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC001255913000 1041394671 /nfs/dbraw/zinc/39/46/71/1041394671.db2.gz AEQOBOSGWNTXFJ-JOCHJYFZSA-N 2 2 399.579 3.909 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001235867749 1041401571 /nfs/dbraw/zinc/40/15/71/1041401571.db2.gz RZZMRPUZADHQGU-TZMCWYRMSA-N 2 2 378.294 3.606 20 0 GHADLP COc1cccc(OC)c1C[NH+]1CCC([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC1 ZINC001255934146 1041424588 /nfs/dbraw/zinc/42/45/88/1041424588.db2.gz XZKJHTKJZSMLRY-IYBDPMFKSA-N 2 2 380.479 3.645 20 0 GHADLP COc1cccc(OC)c1C[NH+]1CCC([N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC1 ZINC001255934146 1041424598 /nfs/dbraw/zinc/42/45/98/1041424598.db2.gz XZKJHTKJZSMLRY-IYBDPMFKSA-N 2 2 380.479 3.645 20 0 GHADLP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3cc(F)c(Cl)cc3Cl)C[C@H]2CC1 ZINC001278897939 1041428147 /nfs/dbraw/zinc/42/81/47/1041428147.db2.gz YDDUTOFTHOJBSV-GASCZTMLSA-N 2 2 388.358 3.838 20 0 GHADLP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3cc(F)c(Cl)cc3Cl)C[C@H]2CC1 ZINC001278897939 1041428153 /nfs/dbraw/zinc/42/81/53/1041428153.db2.gz YDDUTOFTHOJBSV-GASCZTMLSA-N 2 2 388.358 3.838 20 0 GHADLP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235935741 1041438859 /nfs/dbraw/zinc/43/88/59/1041438859.db2.gz FBCJHTNSGRULTF-GHMZBOCLSA-N 2 2 382.348 3.774 20 0 GHADLP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235935741 1041438865 /nfs/dbraw/zinc/43/88/65/1041438865.db2.gz FBCJHTNSGRULTF-GHMZBOCLSA-N 2 2 382.348 3.774 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001255961773 1041440364 /nfs/dbraw/zinc/44/03/64/1041440364.db2.gz DAKKNTGPHVQMJM-JTHBVZDNSA-N 3 2 387.612 3.862 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001255961773 1041440383 /nfs/dbraw/zinc/44/03/83/1041440383.db2.gz DAKKNTGPHVQMJM-JTHBVZDNSA-N 3 2 387.612 3.862 20 0 GHADLP COCC[N@H+](Cc1cc(F)c(OCc2ccccc2)c(F)c1)C1CC[NH2+]CC1 ZINC001235944218 1041449550 /nfs/dbraw/zinc/44/95/50/1041449550.db2.gz LJFWKCJKCGWHOS-UHFFFAOYSA-N 2 2 390.474 3.744 20 0 GHADLP COCC[N@@H+](Cc1cc(F)c(OCc2ccccc2)c(F)c1)C1CC[NH2+]CC1 ZINC001235944218 1041449561 /nfs/dbraw/zinc/44/95/61/1041449561.db2.gz LJFWKCJKCGWHOS-UHFFFAOYSA-N 2 2 390.474 3.744 20 0 GHADLP COc1cc(C[N@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc(F)c1OC ZINC001236405401 1041703698 /nfs/dbraw/zinc/70/36/98/1041703698.db2.gz XNBBIDKNZMMRBT-UHFFFAOYSA-N 2 2 376.447 3.736 20 0 GHADLP COc1cc(C[N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc(F)c1OC ZINC001236405401 1041703704 /nfs/dbraw/zinc/70/37/04/1041703704.db2.gz XNBBIDKNZMMRBT-UHFFFAOYSA-N 2 2 376.447 3.736 20 0 GHADLP COc1ccc(C[N@H+](Cc2cccc(N3CCCCC3)n2)C2CC[NH2+]CC2)cc1 ZINC001236446561 1041716270 /nfs/dbraw/zinc/71/62/70/1041716270.db2.gz AVUZYWGVHUEYSG-UHFFFAOYSA-N 2 2 394.563 3.835 20 0 GHADLP COc1ccc(C[N@@H+](Cc2cccc(N3CCCCC3)n2)C2CC[NH2+]CC2)cc1 ZINC001236446561 1041716276 /nfs/dbraw/zinc/71/62/76/1041716276.db2.gz AVUZYWGVHUEYSG-UHFFFAOYSA-N 2 2 394.563 3.835 20 0 GHADLP COc1cc(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(Br)cc1O ZINC001236458525 1041721537 /nfs/dbraw/zinc/72/15/37/1041721537.db2.gz VUVZSEJBIGPKKQ-UHFFFAOYSA-N 2 2 385.346 3.763 20 0 GHADLP COc1cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(Br)cc1O ZINC001236458525 1041721544 /nfs/dbraw/zinc/72/15/44/1041721544.db2.gz VUVZSEJBIGPKKQ-UHFFFAOYSA-N 2 2 385.346 3.763 20 0 GHADLP COC(=O)c1cccc(C[N@H+](Cc2cc3ccccc3n2C)C2CC[NH2+]CC2)c1 ZINC001236464227 1041725751 /nfs/dbraw/zinc/72/57/51/1041725751.db2.gz CHLIZQLTVYNJNY-UHFFFAOYSA-N 2 2 391.515 3.719 20 0 GHADLP COC(=O)c1cccc(C[N@@H+](Cc2cc3ccccc3n2C)C2CC[NH2+]CC2)c1 ZINC001236464227 1041725758 /nfs/dbraw/zinc/72/57/58/1041725758.db2.gz CHLIZQLTVYNJNY-UHFFFAOYSA-N 2 2 391.515 3.719 20 0 GHADLP COc1ccc(C[N@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)cc1OC ZINC001236498807 1041740265 /nfs/dbraw/zinc/74/02/65/1041740265.db2.gz BFGCJOMTHIRYQP-UHFFFAOYSA-N 2 2 376.447 3.736 20 0 GHADLP COc1ccc(C[N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)cc1OC ZINC001236498807 1041740274 /nfs/dbraw/zinc/74/02/74/1041740274.db2.gz BFGCJOMTHIRYQP-UHFFFAOYSA-N 2 2 376.447 3.736 20 0 GHADLP COc1cc(C[N@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)cc2c1OCO2 ZINC001236508815 1041745680 /nfs/dbraw/zinc/74/56/80/1041745680.db2.gz BWYMBBRBVCLWKE-UHFFFAOYSA-N 2 2 386.467 3.626 20 0 GHADLP COc1cc(C[N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)cc2c1OCO2 ZINC001236508815 1041745688 /nfs/dbraw/zinc/74/56/88/1041745688.db2.gz BWYMBBRBVCLWKE-UHFFFAOYSA-N 2 2 386.467 3.626 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](C2CCN(Cc3ccc(OCc4ccccc4)cc3Cl)CC2)C1 ZINC001236621290 1041787695 /nfs/dbraw/zinc/78/76/95/1041787695.db2.gz KLHWPRYKNCRSEQ-FQEVSTJZSA-N 2 2 399.966 3.916 20 0 GHADLP [NH3+][C@H]1CC[N@H+](C2CCN(Cc3ccc(OCc4ccccc4)cc3Cl)CC2)C1 ZINC001236621290 1041787701 /nfs/dbraw/zinc/78/77/01/1041787701.db2.gz KLHWPRYKNCRSEQ-FQEVSTJZSA-N 2 2 399.966 3.916 20 0 GHADLP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236828272 1041919874 /nfs/dbraw/zinc/91/98/74/1041919874.db2.gz HRUBZZPTSFWZOU-DRCTWCGVSA-N 2 2 382.348 3.902 20 0 GHADLP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236828272 1041919875 /nfs/dbraw/zinc/91/98/75/1041919875.db2.gz HRUBZZPTSFWZOU-DRCTWCGVSA-N 2 2 382.348 3.902 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236916420 1041956207 /nfs/dbraw/zinc/95/62/07/1041956207.db2.gz MXWPHKRVONYPOL-OAHLLOKOSA-N 2 2 390.915 3.872 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236916420 1041956212 /nfs/dbraw/zinc/95/62/12/1041956212.db2.gz MXWPHKRVONYPOL-OAHLLOKOSA-N 2 2 390.915 3.872 20 0 GHADLP FC(F)(F)[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001237016473 1041992339 /nfs/dbraw/zinc/99/23/39/1041992339.db2.gz RVCKXNZXMVGACA-HXUWFJFHSA-N 2 2 375.438 3.539 20 0 GHADLP FC(F)(F)[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001237016473 1041992340 /nfs/dbraw/zinc/99/23/40/1041992340.db2.gz RVCKXNZXMVGACA-HXUWFJFHSA-N 2 2 375.438 3.539 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC001237083861 1042028510 /nfs/dbraw/zinc/02/85/10/1042028510.db2.gz YZVCNVVKCNOQOQ-HSZRJFAPSA-N 2 2 384.520 3.844 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC001237083861 1042028514 /nfs/dbraw/zinc/02/85/14/1042028514.db2.gz YZVCNVVKCNOQOQ-HSZRJFAPSA-N 2 2 384.520 3.844 20 0 GHADLP CCN(C(=O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1 ZINC001462587076 1070391642 /nfs/dbraw/zinc/39/16/42/1070391642.db2.gz PKLWRRVBTGDSAS-OFNKIYASSA-N 2 2 377.532 3.997 20 0 GHADLP CCN(C(=O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1 ZINC001462587076 1070391658 /nfs/dbraw/zinc/39/16/58/1070391658.db2.gz PKLWRRVBTGDSAS-OFNKIYASSA-N 2 2 377.532 3.997 20 0 GHADLP CCOC(=O)Cc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001237474138 1042224981 /nfs/dbraw/zinc/22/49/81/1042224981.db2.gz GKMQGAFDTJEQAZ-UHFFFAOYSA-N 2 2 380.532 3.889 20 0 GHADLP CCOC(=O)Cc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001237474138 1042224985 /nfs/dbraw/zinc/22/49/85/1042224985.db2.gz GKMQGAFDTJEQAZ-UHFFFAOYSA-N 2 2 380.532 3.889 20 0 GHADLP C[NH+]1CCN(C2CC[NH+](Cc3cccc(F)c3OCc3ccccc3)CC2)CC1 ZINC001238336152 1042560770 /nfs/dbraw/zinc/56/07/70/1042560770.db2.gz CSQZHQJMHSUYNN-UHFFFAOYSA-N 2 2 397.538 3.617 20 0 GHADLP COc1cc(C)c(C)cc1C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001238765032 1042719315 /nfs/dbraw/zinc/71/93/15/1042719315.db2.gz ZRVQKXTZNLSHOD-UHFFFAOYSA-N 2 2 382.552 3.676 20 0 GHADLP COc1cc(C)c(C)cc1C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001238765032 1042719317 /nfs/dbraw/zinc/71/93/17/1042719317.db2.gz ZRVQKXTZNLSHOD-UHFFFAOYSA-N 2 2 382.552 3.676 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc(C(=O)NCc3ccccc3)cc2)C1 ZINC001239910612 1042861583 /nfs/dbraw/zinc/86/15/83/1042861583.db2.gz TZACSWSRMWCSKP-QHCPKHFHSA-N 2 2 385.511 3.817 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(C(=O)NCc3ccccc3)cc2)C1 ZINC001239910612 1042861589 /nfs/dbraw/zinc/86/15/89/1042861589.db2.gz TZACSWSRMWCSKP-QHCPKHFHSA-N 2 2 385.511 3.817 20 0 GHADLP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(F)c(Cl)c1F)CC2 ZINC001278309114 1042901528 /nfs/dbraw/zinc/90/15/28/1042901528.db2.gz UJZRKFRNZCFFHU-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(F)c(Cl)c1F)CC2 ZINC001278309114 1042901532 /nfs/dbraw/zinc/90/15/32/1042901532.db2.gz UJZRKFRNZCFFHU-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256523725 1043451154 /nfs/dbraw/zinc/45/11/54/1043451154.db2.gz RRRMSXLKXWJUKM-ZJSXRUAMSA-N 3 2 392.591 3.581 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256523725 1043451165 /nfs/dbraw/zinc/45/11/65/1043451165.db2.gz RRRMSXLKXWJUKM-ZJSXRUAMSA-N 3 2 392.591 3.581 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCCC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256534574 1043470747 /nfs/dbraw/zinc/47/07/47/1043470747.db2.gz SGMMUPWXEGLLMP-DENIHFKCSA-N 2 2 392.547 3.741 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCCC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC001256534574 1043470760 /nfs/dbraw/zinc/47/07/60/1043470760.db2.gz SGMMUPWXEGLLMP-DENIHFKCSA-N 2 2 392.547 3.741 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](CC2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC001291799959 1043474393 /nfs/dbraw/zinc/47/43/93/1043474393.db2.gz WRNBMUNBTZZFKP-LJQANCHMSA-N 2 2 397.485 3.643 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CCO2 ZINC001256537592 1043483206 /nfs/dbraw/zinc/48/32/06/1043483206.db2.gz OOGIMNVLGRBFCQ-RBDMOPTHSA-N 2 2 394.515 3.940 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CCO2 ZINC001256537592 1043483215 /nfs/dbraw/zinc/48/32/15/1043483215.db2.gz OOGIMNVLGRBFCQ-RBDMOPTHSA-N 2 2 394.515 3.940 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CC(CN(C)C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256544209 1043498417 /nfs/dbraw/zinc/49/84/17/1043498417.db2.gz XQJDFLWSJJVMOY-NQIIRXRSSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CC(CN(C)C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256544209 1043498420 /nfs/dbraw/zinc/49/84/20/1043498420.db2.gz XQJDFLWSJJVMOY-NQIIRXRSSA-N 2 2 387.568 3.838 20 0 GHADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001256574872 1043547763 /nfs/dbraw/zinc/54/77/63/1043547763.db2.gz GIUICHSHLZMQSR-UHFFFAOYSA-N 2 2 377.960 3.751 20 0 GHADLP CC(C)(C)[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001256574872 1043547777 /nfs/dbraw/zinc/54/77/77/1043547777.db2.gz GIUICHSHLZMQSR-UHFFFAOYSA-N 2 2 377.960 3.751 20 0 GHADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256597259 1043562059 /nfs/dbraw/zinc/56/20/59/1043562059.db2.gz PUPBPOBLQQVRLX-UHFFFAOYSA-N 2 2 396.554 3.782 20 0 GHADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256597259 1043562075 /nfs/dbraw/zinc/56/20/75/1043562075.db2.gz PUPBPOBLQQVRLX-UHFFFAOYSA-N 2 2 396.554 3.782 20 0 GHADLP Cc1nc(C[N@@H+]2CCC3(CN(C4CC[NH+](Cc5ccccc5)CC4)C3)C2)cs1 ZINC001256607899 1043572469 /nfs/dbraw/zinc/57/24/69/1043572469.db2.gz UYDATMATLGUMCV-UHFFFAOYSA-N 2 2 396.604 3.624 20 0 GHADLP Cc1nc(C[N@H+]2CCC3(CN(C4CC[NH+](Cc5ccccc5)CC4)C3)C2)cs1 ZINC001256607899 1043572488 /nfs/dbraw/zinc/57/24/88/1043572488.db2.gz UYDATMATLGUMCV-UHFFFAOYSA-N 2 2 396.604 3.624 20 0 GHADLP Fc1cccc(CN2CCC([NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)CC2)c1F ZINC001256906450 1043733849 /nfs/dbraw/zinc/73/38/49/1043733849.db2.gz BFUAYAUKUVMXLD-LJQANCHMSA-N 2 2 377.523 3.926 20 0 GHADLP Fc1cccc(CN2CCC([NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)CC2)c1F ZINC001256906450 1043733863 /nfs/dbraw/zinc/73/38/63/1043733863.db2.gz BFUAYAUKUVMXLD-LJQANCHMSA-N 2 2 377.523 3.926 20 0 GHADLP Fc1cc(F)cc(CN2CCC([NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC001256909729 1043734430 /nfs/dbraw/zinc/73/44/30/1043734430.db2.gz VKUXVNFDZBOTGA-OAQYLSRUSA-N 2 2 377.523 3.926 20 0 GHADLP Fc1cc(F)cc(CN2CCC([NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001256909729 1043734441 /nfs/dbraw/zinc/73/44/41/1043734441.db2.gz VKUXVNFDZBOTGA-OAQYLSRUSA-N 2 2 377.523 3.926 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)C[C@H]1c1ccccc1 ZINC001256949990 1043768157 /nfs/dbraw/zinc/76/81/57/1043768157.db2.gz CCDCVZQRRAGLQH-UXHICEINSA-N 2 2 396.535 3.882 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)C[C@H]1c1ccccc1 ZINC001256949990 1043768168 /nfs/dbraw/zinc/76/81/68/1043768168.db2.gz CCDCVZQRRAGLQH-UXHICEINSA-N 2 2 396.535 3.882 20 0 GHADLP CC(C)[C@@H]1C[C@@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CCN1C(=O)OC(C)(C)C ZINC001257194230 1043929262 /nfs/dbraw/zinc/92/92/62/1043929262.db2.gz UWKDFAMDMFKVLS-PMACEKPBSA-N 2 2 391.600 3.828 20 0 GHADLP CC(C)[C@@H]1C[C@@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CCN1C(=O)OC(C)(C)C ZINC001257194230 1043929269 /nfs/dbraw/zinc/92/92/69/1043929269.db2.gz UWKDFAMDMFKVLS-PMACEKPBSA-N 2 2 391.600 3.828 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)Cc3ccc(Br)cc3)CC2)c1 ZINC001257570155 1044056034 /nfs/dbraw/zinc/05/60/34/1044056034.db2.gz IIEUEKQFAGDDAS-HNNXBMFYSA-N 2 2 390.325 3.606 20 0 GHADLP Cc1[nH+]c2c(n1[C@@H]1CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC[NH2+]CC2 ZINC001257809211 1044190481 /nfs/dbraw/zinc/19/04/81/1044190481.db2.gz HSYHPJTXIRXARL-VGSWGCGISA-N 2 2 388.556 3.622 20 0 GHADLP CCC[NH+](CCC)CCCN1CC[NH+]([C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257966427 1044286192 /nfs/dbraw/zinc/28/61/92/1044286192.db2.gz JMFKNWAGIVSFAZ-NRFANRHFSA-N 2 2 394.003 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H](n2cc[nH+]c2CC[NH3+])C[C@@H]1Cc1ccccc1 ZINC001257973468 1044295472 /nfs/dbraw/zinc/29/54/72/1044295472.db2.gz LYSAKLFPGVTCHS-OALUTQOASA-N 2 2 384.524 3.568 20 0 GHADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257974618 1044298674 /nfs/dbraw/zinc/29/86/74/1044298674.db2.gz YDJZASVUNQUDOU-HBMCJLEFSA-N 2 2 387.568 3.681 20 0 GHADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257974618 1044298682 /nfs/dbraw/zinc/29/86/82/1044298682.db2.gz YDJZASVUNQUDOU-HBMCJLEFSA-N 2 2 387.568 3.681 20 0 GHADLP COc1ccccc1C1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCOCC1 ZINC001258138143 1044423934 /nfs/dbraw/zinc/42/39/34/1044423934.db2.gz RTWLWJFIGZCLKA-UHFFFAOYSA-N 2 2 394.559 3.998 20 0 GHADLP COc1ccccc1N1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258140855 1044427334 /nfs/dbraw/zinc/42/73/34/1044427334.db2.gz LGTPFUCUWWNSRA-UHFFFAOYSA-N 2 2 379.548 3.524 20 0 GHADLP CC(C)(C)OC(=O)NCC1(C)C[NH+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258149219 1044438794 /nfs/dbraw/zinc/43/87/94/1044438794.db2.gz ZUVAAJJIZIPEJX-UHFFFAOYSA-N 2 2 387.568 3.540 20 0 GHADLP CCCCC(CCCC)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001258385831 1044529124 /nfs/dbraw/zinc/52/91/24/1044529124.db2.gz LPUPHCWMGDYDPV-IBGZPJMESA-N 2 2 375.605 3.756 20 0 GHADLP CCCCC(CCCC)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001258385831 1044529136 /nfs/dbraw/zinc/52/91/36/1044529136.db2.gz LPUPHCWMGDYDPV-IBGZPJMESA-N 2 2 375.605 3.756 20 0 GHADLP COc1ccc(CC[C@@H](C)N(c2cccc[nH+]2)[C@H]2COC3(C2)CC[NH2+]CC3)cc1 ZINC001258400758 1044538052 /nfs/dbraw/zinc/53/80/52/1044538052.db2.gz FHRHNHWTKNVHQC-TZIWHRDSSA-N 2 2 395.547 3.829 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)CC1(C)C ZINC001258565624 1044643759 /nfs/dbraw/zinc/64/37/59/1044643759.db2.gz YIXDNJZKELSASZ-SFHVURJKSA-N 2 2 388.556 3.818 20 0 GHADLP C[C@H](Cc1cccnc1)[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001258628003 1044676237 /nfs/dbraw/zinc/67/62/37/1044676237.db2.gz VOHKRDSUNBVIBD-WIYYLYMNSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@H](Cc1cccnc1)[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001258628003 1044676244 /nfs/dbraw/zinc/67/62/44/1044676244.db2.gz VOHKRDSUNBVIBD-WIYYLYMNSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@H](Cc1cccnc1)[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001258628003 1044676248 /nfs/dbraw/zinc/67/62/48/1044676248.db2.gz VOHKRDSUNBVIBD-WIYYLYMNSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@H](Cc1cccnc1)[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001258628003 1044676250 /nfs/dbraw/zinc/67/62/50/1044676250.db2.gz VOHKRDSUNBVIBD-WIYYLYMNSA-N 2 2 386.490 3.641 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCC3(C[C@@H]([N@H+](C)Cc4cccs4)CO3)CC2)CC1 ZINC001258772909 1044756181 /nfs/dbraw/zinc/75/61/81/1044756181.db2.gz BUIUMUZNTCMNTO-HXUWFJFHSA-N 3 2 391.625 3.678 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)CC1 ZINC001258772909 1044756191 /nfs/dbraw/zinc/75/61/91/1044756191.db2.gz BUIUMUZNTCMNTO-HXUWFJFHSA-N 3 2 391.625 3.678 20 0 GHADLP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001300921146 1046243184 /nfs/dbraw/zinc/24/31/84/1046243184.db2.gz ORYAVQIBGPXFMF-VXKWHMMOSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001300921146 1046243192 /nfs/dbraw/zinc/24/31/92/1046243192.db2.gz ORYAVQIBGPXFMF-VXKWHMMOSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001300921146 1046243199 /nfs/dbraw/zinc/24/31/99/1046243199.db2.gz ORYAVQIBGPXFMF-VXKWHMMOSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001300921146 1046243202 /nfs/dbraw/zinc/24/32/02/1046243202.db2.gz ORYAVQIBGPXFMF-VXKWHMMOSA-N 2 2 387.543 3.703 20 0 GHADLP CCC(CC)(CNC(=O)N1CCn2c(C)c(C)[nH+]c2C1)[NH2+][C@H](C)c1ccccc1 ZINC000606688936 1047328718 /nfs/dbraw/zinc/32/87/18/1047328718.db2.gz LTMMITUHWZUEKU-GOSISDBHSA-N 2 2 397.567 3.935 20 0 GHADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000598036088 1047490152 /nfs/dbraw/zinc/49/01/52/1047490152.db2.gz UCPZGXCOSMUINV-LSDHHAIUSA-N 2 2 384.307 3.575 20 0 GHADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000598036088 1047490153 /nfs/dbraw/zinc/49/01/53/1047490153.db2.gz UCPZGXCOSMUINV-LSDHHAIUSA-N 2 2 384.307 3.575 20 0 GHADLP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)nc1NC(=O)C(C)(C)C)CC2 ZINC001279258131 1047750477 /nfs/dbraw/zinc/75/04/77/1047750477.db2.gz QCTMDRQNZDFDKK-UHFFFAOYSA-N 2 2 378.948 3.637 20 0 GHADLP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)nc1NC(=O)C(C)(C)C)CC2 ZINC001279258131 1047750479 /nfs/dbraw/zinc/75/04/79/1047750479.db2.gz QCTMDRQNZDFDKK-UHFFFAOYSA-N 2 2 378.948 3.637 20 0 GHADLP Cc1ccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)c(Br)c1 ZINC001279418915 1047799065 /nfs/dbraw/zinc/79/90/65/1047799065.db2.gz GDNRAKMCVVPFQE-UHFFFAOYSA-N 2 2 394.401 3.607 20 0 GHADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccnc1Br)Cc1ccccc12 ZINC001279418811 1047799123 /nfs/dbraw/zinc/79/91/23/1047799123.db2.gz DSYQUPBEECGMBJ-UHFFFAOYSA-N 2 2 386.337 3.823 20 0 GHADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccnc1Br)Cc1ccccc12 ZINC001279418811 1047799127 /nfs/dbraw/zinc/79/91/27/1047799127.db2.gz DSYQUPBEECGMBJ-UHFFFAOYSA-N 2 2 386.337 3.823 20 0 GHADLP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3ccsc3Br)(C1)CCC2 ZINC001279515225 1047830529 /nfs/dbraw/zinc/83/05/29/1047830529.db2.gz KWQZEKJFFRREFD-DLBZAZTESA-N 2 2 386.403 3.597 20 0 GHADLP Brc1cnc(C[NH+]2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)cn1 ZINC001279719758 1047935001 /nfs/dbraw/zinc/93/50/01/1047935001.db2.gz GDHCXLZMOLCZDX-UHFFFAOYSA-N 2 2 393.373 3.860 20 0 GHADLP Brc1cnc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)cn1 ZINC001279719758 1047935007 /nfs/dbraw/zinc/93/50/07/1047935007.db2.gz GDHCXLZMOLCZDX-UHFFFAOYSA-N 2 2 393.373 3.860 20 0 GHADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)cc(C(F)(F)F)c1Cl)C2 ZINC001279847720 1047966491 /nfs/dbraw/zinc/96/64/91/1047966491.db2.gz SECGXMCCRGIIDT-DOMZBBRYSA-N 2 2 393.856 3.566 20 0 GHADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1Cl)C2 ZINC001279847720 1047966494 /nfs/dbraw/zinc/96/64/94/1047966494.db2.gz SECGXMCCRGIIDT-DOMZBBRYSA-N 2 2 393.856 3.566 20 0 GHADLP CCOc1ccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)c(Cl)c1 ZINC001280312813 1048177568 /nfs/dbraw/zinc/17/75/68/1048177568.db2.gz HXLCYBVRCFVOHI-UHFFFAOYSA-N 2 2 379.976 3.588 20 0 GHADLP C[N@H+](CCOc1ccc(F)c(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001307517188 1049360213 /nfs/dbraw/zinc/36/02/13/1049360213.db2.gz PMUDTXIDQFVCLB-UHFFFAOYSA-N 2 2 391.918 3.892 20 0 GHADLP C[N@@H+](CCOc1ccc(F)c(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001307517188 1049360226 /nfs/dbraw/zinc/36/02/26/1049360226.db2.gz PMUDTXIDQFVCLB-UHFFFAOYSA-N 2 2 391.918 3.892 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1)c1ccccc1Cl ZINC001290013268 1049709729 /nfs/dbraw/zinc/70/97/29/1049709729.db2.gz HYEZFMRLXSWAOO-LJQANCHMSA-N 2 2 384.911 3.977 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c2c1OC(F)(F)O2 ZINC001308593157 1050023797 /nfs/dbraw/zinc/02/37/97/1050023797.db2.gz FGSAOYCQZRNXMW-HZPDHXFCSA-N 2 2 384.492 3.930 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c2c1OC(F)(F)O2 ZINC001308593157 1050023801 /nfs/dbraw/zinc/02/38/01/1050023801.db2.gz FGSAOYCQZRNXMW-HZPDHXFCSA-N 2 2 384.492 3.930 20 0 GHADLP C[C@H]([NH2+]Cc1sc(N(C)C)nc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001308643695 1050045107 /nfs/dbraw/zinc/04/51/07/1050045107.db2.gz RLIACPKEGUCSGH-HOCLYGCPSA-N 2 2 378.973 3.863 20 0 GHADLP C[C@H]([NH2+]Cc1sc(N(C)C)nc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308643695 1050045112 /nfs/dbraw/zinc/04/51/12/1050045112.db2.gz RLIACPKEGUCSGH-HOCLYGCPSA-N 2 2 378.973 3.863 20 0 GHADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2csc(Nc3ccccc3C)n2)CC1 ZINC001328001325 1050353398 /nfs/dbraw/zinc/35/33/98/1050353398.db2.gz UFGVIVRMQVENBO-UHFFFAOYSA-N 2 2 387.597 3.701 20 0 GHADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC001311246944 1051965362 /nfs/dbraw/zinc/96/53/62/1051965362.db2.gz ZSRNVTBVJYEMOX-UHFFFAOYSA-N 2 2 395.551 3.976 20 0 GHADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001313008529 1052932729 /nfs/dbraw/zinc/93/27/29/1052932729.db2.gz SVZYAGCJFAETFP-RBUKOAKNSA-N 2 2 389.588 3.648 20 0 GHADLP CCNc1cc(CNC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@H]2C)cc[nH+]1 ZINC001313321273 1053017545 /nfs/dbraw/zinc/01/75/45/1053017545.db2.gz YPZNFBDRBZSCAP-IPMKNSEASA-N 2 2 395.551 3.706 20 0 GHADLP CCNc1cc(CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@H]2C)cc[nH+]1 ZINC001313321273 1053017548 /nfs/dbraw/zinc/01/75/48/1053017548.db2.gz YPZNFBDRBZSCAP-IPMKNSEASA-N 2 2 395.551 3.706 20 0 GHADLP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)[C@@H]1CCCC[NH+]1Cc1cccnc1 ZINC001318717447 1054820083 /nfs/dbraw/zinc/82/00/83/1054820083.db2.gz NZSUXCUMSYPDDH-PKTZIBPZSA-N 2 2 398.595 3.597 20 0 GHADLP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CCCC[NH+]1Cc1cccnc1 ZINC001318717447 1054820090 /nfs/dbraw/zinc/82/00/90/1054820090.db2.gz NZSUXCUMSYPDDH-PKTZIBPZSA-N 2 2 398.595 3.597 20 0 GHADLP O=C(NC[C@H]1CCC[NH+]1CC1CCCCC1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001318717447 1054820095 /nfs/dbraw/zinc/82/00/95/1054820095.db2.gz NZSUXCUMSYPDDH-PKTZIBPZSA-N 2 2 398.595 3.597 20 0 GHADLP O=C(NC[C@H]1CCC[NH+]1CC1CCCCC1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001318717447 1054820097 /nfs/dbraw/zinc/82/00/97/1054820097.db2.gz NZSUXCUMSYPDDH-PKTZIBPZSA-N 2 2 398.595 3.597 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(OCc2cccnc2)c1 ZINC001318815722 1054893480 /nfs/dbraw/zinc/89/34/80/1054893480.db2.gz RTOGQIOZPGFCMT-UHFFFAOYSA-N 2 2 385.427 3.802 20 0 GHADLP C[C@@H](c1nc([C@@H]2C[NH+]3CCC2CC3)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001321123817 1056106819 /nfs/dbraw/zinc/10/68/19/1056106819.db2.gz MFBBFLMHLIYLCR-LAUBAEHRSA-N 2 2 380.536 3.895 20 0 GHADLP C[NH+]1CCN(Cc2cccc(C[NH2+][C@H](c3ncc[nH]3)C3CCCCC3)c2)CC1 ZINC001321903998 1056439410 /nfs/dbraw/zinc/43/94/10/1056439410.db2.gz YAQUWSKZGAQMEF-QFIPXVFZSA-N 2 2 381.568 3.568 20 0 GHADLP CC(C)[C@@H](C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[NH+]1CCCCC1 ZINC001322508759 1056735091 /nfs/dbraw/zinc/73/50/91/1056735091.db2.gz FTNAMWVQGIZFNU-QFIPXVFZSA-N 2 2 397.567 3.998 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1csc(Br)c1C ZINC001324121411 1057074543 /nfs/dbraw/zinc/07/45/43/1057074543.db2.gz NREIVQYMAJIKQI-UHFFFAOYSA-N 2 2 377.267 3.960 20 0 GHADLP Nc1cc(N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)nc[nH+]1 ZINC001326515057 1057502540 /nfs/dbraw/zinc/50/25/40/1057502540.db2.gz VBZHXSNCXFFDLZ-UHFFFAOYSA-N 2 2 385.924 3.763 20 0 GHADLP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001440709974 1058592633 /nfs/dbraw/zinc/59/26/33/1058592633.db2.gz ZXKAWQFHXWVXAB-PKTZIBPZSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001440709974 1058592653 /nfs/dbraw/zinc/59/26/53/1058592653.db2.gz ZXKAWQFHXWVXAB-PKTZIBPZSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001440709974 1058592670 /nfs/dbraw/zinc/59/26/70/1058592670.db2.gz ZXKAWQFHXWVXAB-PKTZIBPZSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001440709974 1058592688 /nfs/dbraw/zinc/59/26/88/1058592688.db2.gz ZXKAWQFHXWVXAB-PKTZIBPZSA-N 2 2 395.522 3.571 20 0 GHADLP COc1cccc(C[NH+]2CCC([NH2+]C[C@@H](O)c3ccc(Cl)c(F)c3)CC2)c1 ZINC001346108817 1061366780 /nfs/dbraw/zinc/36/67/80/1061366780.db2.gz DBBHGUMVPKNTQU-OAQYLSRUSA-N 2 2 392.902 3.775 20 0 GHADLP CC[NH+](CC)CCOc1cccc(NC(=O)N2CCC(c3c[nH+]cn3C)CC2)c1 ZINC001347846115 1062719499 /nfs/dbraw/zinc/71/94/99/1062719499.db2.gz DCHCWXKVHKOBAI-UHFFFAOYSA-N 2 2 399.539 3.552 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)C1 ZINC001464216502 1064911857 /nfs/dbraw/zinc/91/18/57/1064911857.db2.gz IMTNVIIXIVKFOW-NCYKPQTJSA-N 2 2 386.584 3.927 20 0 GHADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC001200046973 1065069616 /nfs/dbraw/zinc/06/96/16/1065069616.db2.gz YLOYWUQSFWKLJU-FQEVSTJZSA-N 2 2 395.444 3.923 20 0 GHADLP Cc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)c(N(C)C)[nH+]1 ZINC001465974257 1065942522 /nfs/dbraw/zinc/94/25/22/1065942522.db2.gz QVNYRHHJVSUYQM-UHFFFAOYSA-N 2 2 381.524 3.764 20 0 GHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001467340699 1067237522 /nfs/dbraw/zinc/23/75/22/1067237522.db2.gz RSAHFEOEPVJQET-QHCPKHFHSA-N 2 2 390.531 3.688 20 0 GHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001467340699 1067237530 /nfs/dbraw/zinc/23/75/30/1067237530.db2.gz RSAHFEOEPVJQET-QHCPKHFHSA-N 2 2 390.531 3.688 20 0 GHADLP CC[N@H+](CCCNC(=O)NCc1[nH+]cc(C)c(OC)c1C)C1CCCCC1 ZINC001468412149 1067722964 /nfs/dbraw/zinc/72/29/64/1067722964.db2.gz OZRLGLXUNDBAOB-UHFFFAOYSA-N 2 2 376.545 3.551 20 0 GHADLP CC[N@@H+](CCCNC(=O)NCc1[nH+]cc(C)c(OC)c1C)C1CCCCC1 ZINC001468412149 1067722971 /nfs/dbraw/zinc/72/29/71/1067722971.db2.gz OZRLGLXUNDBAOB-UHFFFAOYSA-N 2 2 376.545 3.551 20 0 GHADLP CSc1ccc([C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)[NH+](C)C)cc1 ZINC000849113105 1067734853 /nfs/dbraw/zinc/73/48/53/1067734853.db2.gz NVAGQQFSWSZCCZ-OALUTQOASA-N 2 2 384.549 3.649 20 0 GHADLP CCNc1cc(CNC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)cc[nH+]1 ZINC001468830229 1067903005 /nfs/dbraw/zinc/90/30/05/1067903005.db2.gz GUTFIJCNUKRSTP-GOSISDBHSA-N 2 2 395.551 3.976 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001460325128 1068925656 /nfs/dbraw/zinc/92/56/56/1068925656.db2.gz HELVGAGTTFFMNM-MOPGFXCFSA-N 2 2 384.524 3.962 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](CCC3CC3)CC3CC3)n2)CC1 ZINC001460505850 1068981672 /nfs/dbraw/zinc/98/16/72/1068981672.db2.gz FBQLOAOWHQFKDG-UHFFFAOYSA-N 2 2 390.597 3.826 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](CCC3CC3)CC3CC3)n2)CC1 ZINC001460505850 1068981675 /nfs/dbraw/zinc/98/16/75/1068981675.db2.gz FBQLOAOWHQFKDG-UHFFFAOYSA-N 2 2 390.597 3.826 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001470781565 1072737066 /nfs/dbraw/zinc/73/70/66/1072737066.db2.gz WWTJOZLNYUNFBA-AUSIDOKSSA-N 2 2 388.515 3.572 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001470781565 1072737069 /nfs/dbraw/zinc/73/70/69/1072737069.db2.gz WWTJOZLNYUNFBA-AUSIDOKSSA-N 2 2 388.515 3.572 20 0 GHADLP O=C(N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001479106696 1079106210 /nfs/dbraw/zinc/10/62/10/1079106210.db2.gz HSCNNINONDWEFW-SFTDATJTSA-N 2 2 395.551 3.744 20 0 GHADLP O=C(N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001479106696 1079106211 /nfs/dbraw/zinc/10/62/11/1079106211.db2.gz HSCNNINONDWEFW-SFTDATJTSA-N 2 2 395.551 3.744 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@H](CCF)C3)CC2)cc1 ZINC001473642514 1074063747 /nfs/dbraw/zinc/06/37/47/1074063747.db2.gz CLKOGMCERMJBKX-HXUWFJFHSA-N 2 2 389.559 3.526 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@H](CCF)C3)CC2)cc1 ZINC001473642514 1074063749 /nfs/dbraw/zinc/06/37/49/1074063749.db2.gz CLKOGMCERMJBKX-HXUWFJFHSA-N 2 2 389.559 3.526 20 0 GHADLP c1ccc(COc2ccc(C[NH+]3CCC([N@@H+]4CCCOCC4)CC3)cc2)cc1 ZINC001473689340 1074089051 /nfs/dbraw/zinc/08/90/51/1074089051.db2.gz FWTCGSLRZKARHO-UHFFFAOYSA-N 2 2 380.532 3.952 20 0 GHADLP c1ccc(COc2ccc(C[NH+]3CCC([N@H+]4CCCOCC4)CC3)cc2)cc1 ZINC001473689340 1074089055 /nfs/dbraw/zinc/08/90/55/1074089055.db2.gz FWTCGSLRZKARHO-UHFFFAOYSA-N 2 2 380.532 3.952 20 0 GHADLP c1ccc(C[N@@H+]2CCC[NH+](Cc3cccc4cccnc43)CCOCC2)cc1 ZINC001473830422 1074163532 /nfs/dbraw/zinc/16/35/32/1074163532.db2.gz WUYFYIGLUZOBHR-UHFFFAOYSA-N 2 2 375.516 3.959 20 0 GHADLP c1ccc(C[N@H+]2CCC[NH+](Cc3cccc4cccnc43)CCOCC2)cc1 ZINC001473830422 1074163534 /nfs/dbraw/zinc/16/35/34/1074163534.db2.gz WUYFYIGLUZOBHR-UHFFFAOYSA-N 2 2 375.516 3.959 20 0 GHADLP c1ccc(C[NH+]2CCC[N@H+](Cc3cccc4cccnc43)CCOCC2)cc1 ZINC001473830422 1074163536 /nfs/dbraw/zinc/16/35/36/1074163536.db2.gz WUYFYIGLUZOBHR-UHFFFAOYSA-N 2 2 375.516 3.959 20 0 GHADLP c1ccc(C[NH+]2CCC[N@@H+](Cc3cccc4cccnc43)CCOCC2)cc1 ZINC001473830422 1074163537 /nfs/dbraw/zinc/16/35/37/1074163537.db2.gz WUYFYIGLUZOBHR-UHFFFAOYSA-N 2 2 375.516 3.959 20 0 GHADLP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc(Br)s3)c2)CC1 ZINC001473977175 1074224402 /nfs/dbraw/zinc/22/44/02/1074224402.db2.gz VKQPAWHZUGKDHA-UHFFFAOYSA-N 2 2 394.382 3.548 20 0 GHADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC001474068429 1074253339 /nfs/dbraw/zinc/25/33/39/1074253339.db2.gz WRYCUPPYHRYWKQ-SJORKVTESA-N 2 2 390.421 3.582 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001474078548 1074256784 /nfs/dbraw/zinc/25/67/84/1074256784.db2.gz ORUCILJLHFETHY-JXALWOEJSA-N 2 2 378.564 3.717 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001474078548 1074256786 /nfs/dbraw/zinc/25/67/86/1074256786.db2.gz ORUCILJLHFETHY-JXALWOEJSA-N 2 2 378.564 3.717 20 0 GHADLP O=C(OCc1ccccc1)c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c[nH]1 ZINC001474314518 1074336988 /nfs/dbraw/zinc/33/69/88/1074336988.db2.gz OJVDHPWMEQNOAJ-FQEVSTJZSA-N 2 2 381.520 3.680 20 0 GHADLP O=C(OCc1ccccc1)c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c[nH]1 ZINC001474314518 1074336996 /nfs/dbraw/zinc/33/69/96/1074336996.db2.gz OJVDHPWMEQNOAJ-FQEVSTJZSA-N 2 2 381.520 3.680 20 0 GHADLP COc1ncc(Br)cc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC001474632170 1074491876 /nfs/dbraw/zinc/49/18/76/1074491876.db2.gz VOQKPRFUYHZTBQ-KDOFPFPSSA-N 2 2 396.373 3.985 20 0 GHADLP Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)c1 ZINC001650952575 1126252380 /nfs/dbraw/zinc/25/23/80/1126252380.db2.gz MCFXNQBNGJZASZ-FQEVSTJZSA-N 2 2 399.922 3.617 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000826330918 609340434 /nfs/dbraw/zinc/34/04/34/609340434.db2.gz NLXUFARREGHBKH-KBPBESRZSA-N 2 2 391.454 3.912 20 0 GHADLP COc1ccc2c(cc[nH+]c2N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164901415 721521824 /nfs/dbraw/zinc/52/18/24/721521824.db2.gz XEFRHZDZBBMROR-GHTZIAJQSA-N 2 2 393.462 3.724 20 0 GHADLP COc1ccc2c(cc[nH+]c2N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164901415 721521826 /nfs/dbraw/zinc/52/18/26/721521826.db2.gz XEFRHZDZBBMROR-GHTZIAJQSA-N 2 2 393.462 3.724 20 0 GHADLP CC(C)(C)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]c1 ZINC001164973828 722156774 /nfs/dbraw/zinc/15/67/74/722156774.db2.gz MOUIDRHGMQQHKO-CTNGQTDRSA-N 2 2 380.536 3.501 20 0 GHADLP CC(C)(C)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]c1 ZINC001164973828 722156779 /nfs/dbraw/zinc/15/67/79/722156779.db2.gz MOUIDRHGMQQHKO-CTNGQTDRSA-N 2 2 380.536 3.501 20 0 GHADLP FC(F)(F)[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H](C(F)(F)F)C1 ZINC000655685990 837606457 /nfs/dbraw/zinc/60/64/57/837606457.db2.gz WIHJXDOBZMZTEG-MXYBEHONSA-N 2 2 388.396 3.739 20 0 GHADLP CCOc1ccccc1Oc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cn1 ZINC000655694681 837684519 /nfs/dbraw/zinc/68/45/19/837684519.db2.gz JOLCPJLQUUXHGR-HXUWFJFHSA-N 2 2 397.519 3.616 20 0 GHADLP CN(C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683097167 834458911 /nfs/dbraw/zinc/45/89/11/834458911.db2.gz DMBJDVMEOBBEKE-XPNTWCBSSA-N 2 2 398.595 3.523 20 0 GHADLP CN(C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683097167 834458915 /nfs/dbraw/zinc/45/89/15/834458915.db2.gz DMBJDVMEOBBEKE-XPNTWCBSSA-N 2 2 398.595 3.523 20 0 GHADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000278289734 834535020 /nfs/dbraw/zinc/53/50/20/834535020.db2.gz QUHITAWONYIPEW-BBWFWOEESA-N 2 2 386.492 3.526 20 0 GHADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000278289734 834535026 /nfs/dbraw/zinc/53/50/26/834535026.db2.gz QUHITAWONYIPEW-BBWFWOEESA-N 2 2 386.492 3.526 20 0 GHADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nc(C)c(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000156790297 834557970 /nfs/dbraw/zinc/55/79/70/834557970.db2.gz IRWKSMSITSEPOE-IBGZPJMESA-N 2 2 388.943 3.515 20 0 GHADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc(C)c(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000156790297 834557978 /nfs/dbraw/zinc/55/79/78/834557978.db2.gz IRWKSMSITSEPOE-IBGZPJMESA-N 2 2 388.943 3.515 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Br)c1 ZINC000579775300 834625155 /nfs/dbraw/zinc/62/51/55/834625155.db2.gz YMSMCBXFHGGNMM-HNAYVOBHSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Br)c1 ZINC000579775300 834625158 /nfs/dbraw/zinc/62/51/58/834625158.db2.gz YMSMCBXFHGGNMM-HNAYVOBHSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Br)c1 ZINC000579775300 834625160 /nfs/dbraw/zinc/62/51/60/834625160.db2.gz YMSMCBXFHGGNMM-HNAYVOBHSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Br)c1 ZINC000579775300 834625164 /nfs/dbraw/zinc/62/51/64/834625164.db2.gz YMSMCBXFHGGNMM-HNAYVOBHSA-N 2 2 379.342 3.906 20 0 GHADLP COc1cncc(/C=C/CC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000583561673 834649858 /nfs/dbraw/zinc/64/98/58/834649858.db2.gz KUZCNLFXDXFJBP-QPJJXVBHSA-N 2 2 380.536 3.527 20 0 GHADLP COc1cncc(/C=C/CC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000583561673 834649866 /nfs/dbraw/zinc/64/98/66/834649866.db2.gz KUZCNLFXDXFJBP-QPJJXVBHSA-N 2 2 380.536 3.527 20 0 GHADLP FC(F)(F)c1ccn(-c2ccc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)n1 ZINC000092071780 834666006 /nfs/dbraw/zinc/66/60/06/834666006.db2.gz IFCOJKWKABSTFK-HNNXBMFYSA-N 2 2 375.398 3.994 20 0 GHADLP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)n1 ZINC000092071780 834666008 /nfs/dbraw/zinc/66/60/08/834666008.db2.gz IFCOJKWKABSTFK-HNNXBMFYSA-N 2 2 375.398 3.994 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cc2ccncc2s1 ZINC000657890395 835018702 /nfs/dbraw/zinc/01/87/02/835018702.db2.gz VUDQRFMRFITBFK-DBVUQKKJSA-N 2 2 381.545 3.830 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cc2ccncc2s1 ZINC000657890395 835018715 /nfs/dbraw/zinc/01/87/15/835018715.db2.gz VUDQRFMRFITBFK-DBVUQKKJSA-N 2 2 381.545 3.830 20 0 GHADLP [NH3+][C@@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000140838411 835066714 /nfs/dbraw/zinc/06/67/14/835066714.db2.gz IOSFYVNSFLEEBB-HSZRJFAPSA-N 2 2 385.511 3.620 20 0 GHADLP C[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000151172460 835139293 /nfs/dbraw/zinc/13/92/93/835139293.db2.gz KBIISUWUCKLCPQ-IBGZPJMESA-N 2 2 393.453 3.977 20 0 GHADLP C[N@H+](Cc1ccc(OCC(F)(F)F)nc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000151172460 835139295 /nfs/dbraw/zinc/13/92/95/835139295.db2.gz KBIISUWUCKLCPQ-IBGZPJMESA-N 2 2 393.453 3.977 20 0 GHADLP C[NH+](Cc1ccc(OCC(F)(F)F)nc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000151172460 835139297 /nfs/dbraw/zinc/13/92/97/835139297.db2.gz KBIISUWUCKLCPQ-IBGZPJMESA-N 2 2 393.453 3.977 20 0 GHADLP C[NH+](Cc1ccc(OCC(F)(F)F)nc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000151172460 835139300 /nfs/dbraw/zinc/13/93/00/835139300.db2.gz KBIISUWUCKLCPQ-IBGZPJMESA-N 2 2 393.453 3.977 20 0 GHADLP C[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)Oc1cccc(Br)c1 ZINC000512970112 844037794 /nfs/dbraw/zinc/03/77/94/844037794.db2.gz NYWFNFGVIYXESD-HNNXBMFYSA-N 2 2 390.325 3.870 20 0 GHADLP Brc1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)s1 ZINC000658295838 835560927 /nfs/dbraw/zinc/56/09/27/835560927.db2.gz PAZBFCUSRZNKLO-PBHICJAKSA-N 2 2 385.371 3.805 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+][C@H]2CCc3cccnc3CC2)CCOCC1)c1ccccc1 ZINC000421829074 835654904 /nfs/dbraw/zinc/65/49/04/835654904.db2.gz GQUOWQSMZMUMHJ-KNQAVFIVSA-N 2 2 379.548 3.819 20 0 GHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000569771010 836050213 /nfs/dbraw/zinc/05/02/13/836050213.db2.gz KOSKXKHJUUODIQ-ZWKOTPCHSA-N 2 2 397.519 3.508 20 0 GHADLP Cn1cc([C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c2cccc(F)c2)cn1 ZINC000180082222 836059103 /nfs/dbraw/zinc/05/91/03/836059103.db2.gz XRYSITIDKHVYQL-QFIPXVFZSA-N 2 2 375.451 3.683 20 0 GHADLP C[C@H](C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000180463634 836175545 /nfs/dbraw/zinc/17/55/45/836175545.db2.gz LTUHVWZKFPGHNP-IERDGZPVSA-N 2 2 375.919 3.794 20 0 GHADLP COc1ccc(C[C@H](C)[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cn1 ZINC000414131933 836228578 /nfs/dbraw/zinc/22/85/78/836228578.db2.gz YPJXVZFWUGCOOG-OALUTQOASA-N 2 2 383.536 3.511 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(OC)c1 ZINC000024050849 836261873 /nfs/dbraw/zinc/26/18/73/836261873.db2.gz GJSDTWVWZUYYJL-QFIPXVFZSA-N 2 2 392.503 3.694 20 0 GHADLP Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000332690192 836464948 /nfs/dbraw/zinc/46/49/48/836464948.db2.gz REVBRILJPHWRCJ-CTNGQTDRSA-N 2 2 394.563 3.893 20 0 GHADLP Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000332690192 836464955 /nfs/dbraw/zinc/46/49/55/836464955.db2.gz REVBRILJPHWRCJ-CTNGQTDRSA-N 2 2 394.563 3.893 20 0 GHADLP O[C@@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796636 836706575 /nfs/dbraw/zinc/70/65/75/836706575.db2.gz NGENWSINFILPCS-JOCHJYFZSA-N 2 2 377.488 3.627 20 0 GHADLP Cc1nc(N2CC(c3[nH+]cn4cc(Br)ccc34)C2)cc(C(C)C)[nH+]1 ZINC001167167137 836762081 /nfs/dbraw/zinc/76/20/81/836762081.db2.gz WLCFNTQQYHRBAS-UHFFFAOYSA-N 2 2 386.297 3.922 20 0 GHADLP C[C@H]1C[C@@H](C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCO1 ZINC000510933524 844213771 /nfs/dbraw/zinc/21/37/71/844213771.db2.gz DMRKWOISRYDHHG-GJZGRUSLSA-N 2 2 382.302 3.556 20 0 GHADLP C[C@H]1C[C@@H](C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCO1 ZINC000510933524 844213778 /nfs/dbraw/zinc/21/37/78/844213778.db2.gz DMRKWOISRYDHHG-GJZGRUSLSA-N 2 2 382.302 3.556 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655847856 838046966 /nfs/dbraw/zinc/04/69/66/838046966.db2.gz DLGCJBGNJSQEGT-UXPWSPDFSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655847856 838046979 /nfs/dbraw/zinc/04/69/79/838046979.db2.gz DLGCJBGNJSQEGT-UXPWSPDFSA-N 2 2 377.960 3.684 20 0 GHADLP CC(C)C[C@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000166671384 838364482 /nfs/dbraw/zinc/36/44/82/838364482.db2.gz APVSXPBLHVQODL-QFIPXVFZSA-N 2 2 376.504 3.588 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)C2 ZINC000376678027 838621029 /nfs/dbraw/zinc/62/10/29/838621029.db2.gz GPGXOQRRJHQHLE-QGZVFWFLSA-N 2 2 382.552 3.795 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)C2 ZINC000376678027 838621033 /nfs/dbraw/zinc/62/10/33/838621033.db2.gz GPGXOQRRJHQHLE-QGZVFWFLSA-N 2 2 382.552 3.795 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)CC2 ZINC000376678027 838621036 /nfs/dbraw/zinc/62/10/36/838621036.db2.gz GPGXOQRRJHQHLE-QGZVFWFLSA-N 2 2 382.552 3.795 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)CC2 ZINC000376678027 838621042 /nfs/dbraw/zinc/62/10/42/838621042.db2.gz GPGXOQRRJHQHLE-QGZVFWFLSA-N 2 2 382.552 3.795 20 0 GHADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000659912903 838655339 /nfs/dbraw/zinc/65/53/39/838655339.db2.gz JKMOFSDPTKKIDS-HOCLYGCPSA-N 2 2 387.387 3.619 20 0 GHADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000659912903 838655341 /nfs/dbraw/zinc/65/53/41/838655341.db2.gz JKMOFSDPTKKIDS-HOCLYGCPSA-N 2 2 387.387 3.619 20 0 GHADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000659912903 838655345 /nfs/dbraw/zinc/65/53/45/838655345.db2.gz JKMOFSDPTKKIDS-HOCLYGCPSA-N 2 2 387.387 3.619 20 0 GHADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000659912903 838655347 /nfs/dbraw/zinc/65/53/47/838655347.db2.gz JKMOFSDPTKKIDS-HOCLYGCPSA-N 2 2 387.387 3.619 20 0 GHADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000659912902 838655482 /nfs/dbraw/zinc/65/54/82/838655482.db2.gz JKMOFSDPTKKIDS-GOEBONIOSA-N 2 2 387.387 3.619 20 0 GHADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000659912902 838655487 /nfs/dbraw/zinc/65/54/87/838655487.db2.gz JKMOFSDPTKKIDS-GOEBONIOSA-N 2 2 387.387 3.619 20 0 GHADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000659912902 838655492 /nfs/dbraw/zinc/65/54/92/838655492.db2.gz JKMOFSDPTKKIDS-GOEBONIOSA-N 2 2 387.387 3.619 20 0 GHADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000659912902 838655496 /nfs/dbraw/zinc/65/54/96/838655496.db2.gz JKMOFSDPTKKIDS-GOEBONIOSA-N 2 2 387.387 3.619 20 0 GHADLP C[NH+](C)[C@H](CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000416220776 838750033 /nfs/dbraw/zinc/75/00/33/838750033.db2.gz AQFFHHVPOOWTRR-TZIWHRDSSA-N 2 2 380.536 3.618 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000576388569 844363360 /nfs/dbraw/zinc/36/33/60/844363360.db2.gz QHLOXVSTAFOBHW-LJQANCHMSA-N 2 2 381.520 3.589 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000376891256 838818018 /nfs/dbraw/zinc/81/80/18/838818018.db2.gz AEOQKIKLKYFGLO-QRRACGJLSA-N 2 2 383.511 3.941 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000376891256 838818025 /nfs/dbraw/zinc/81/80/25/838818025.db2.gz AEOQKIKLKYFGLO-QRRACGJLSA-N 2 2 383.511 3.941 20 0 GHADLP COc1ccc2c(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc(=O)oc2c1 ZINC000377112865 839001484 /nfs/dbraw/zinc/00/14/84/839001484.db2.gz HTMILTSHXAIZGW-MRXNPFEDSA-N 2 2 393.487 3.714 20 0 GHADLP COc1ccc2c(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc(=O)oc2c1 ZINC000377112865 839001502 /nfs/dbraw/zinc/00/15/02/839001502.db2.gz HTMILTSHXAIZGW-MRXNPFEDSA-N 2 2 393.487 3.714 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCCO2 ZINC000163689536 839076237 /nfs/dbraw/zinc/07/62/37/839076237.db2.gz IJYAABYLALBQLN-JOCHJYFZSA-N 2 2 382.504 3.531 20 0 GHADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(N)CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC000415125362 839247472 /nfs/dbraw/zinc/24/74/72/839247472.db2.gz DOZFQZPHIZDJEX-QPPBQGQZSA-N 3 2 398.639 3.613 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3ccn4c(C)c[nH+]c4c3)C2)s1 ZINC000565205256 839874794 /nfs/dbraw/zinc/87/47/94/839874794.db2.gz RXOKGHNAVYKWQE-QGZVFWFLSA-N 2 2 382.533 3.607 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3ccn4c(C)c[nH+]c4c3)C2)s1 ZINC000565205256 839874810 /nfs/dbraw/zinc/87/48/10/839874810.db2.gz RXOKGHNAVYKWQE-QGZVFWFLSA-N 2 2 382.533 3.607 20 0 GHADLP C[N@H+](CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)[C@@H]1CCCc2ccccc21 ZINC000580612580 839898866 /nfs/dbraw/zinc/89/88/66/839898866.db2.gz SPGWSUOKGOFNAB-LJQANCHMSA-N 2 2 384.549 3.687 20 0 GHADLP C[N@@H+](CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)[C@@H]1CCCc2ccccc21 ZINC000580612580 839898872 /nfs/dbraw/zinc/89/88/72/839898872.db2.gz SPGWSUOKGOFNAB-LJQANCHMSA-N 2 2 384.549 3.687 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1sc2ccccc2c1Cl ZINC000122990917 840490950 /nfs/dbraw/zinc/49/09/50/840490950.db2.gz NJHFEXRPAXAJCA-UHFFFAOYSA-N 2 2 379.957 3.653 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1sc2ccccc2c1Cl ZINC000122990917 840490957 /nfs/dbraw/zinc/49/09/57/840490957.db2.gz NJHFEXRPAXAJCA-UHFFFAOYSA-N 2 2 379.957 3.653 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(Sc4ccccn4)o3)[nH+]c2)C1 ZINC000511743436 840618350 /nfs/dbraw/zinc/61/83/50/840618350.db2.gz SQUMVRXMIVTTQX-QGZVFWFLSA-N 2 2 395.532 3.973 20 0 GHADLP C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278828401 840992771 /nfs/dbraw/zinc/99/27/71/840992771.db2.gz IDHKKOBQHDSKTM-HNNXBMFYSA-N 2 2 378.480 3.605 20 0 GHADLP CC[N@H+](CC(=O)NC1CC[NH+](C2CCCC2)CC1)Cc1ccccc1Cl ZINC000500054915 841338783 /nfs/dbraw/zinc/33/87/83/841338783.db2.gz YFJVONCHMVJUIT-UHFFFAOYSA-N 2 2 377.960 3.685 20 0 GHADLP CC[N@@H+](CC(=O)NC1CC[NH+](C2CCCC2)CC1)Cc1ccccc1Cl ZINC000500054915 841338792 /nfs/dbraw/zinc/33/87/92/841338792.db2.gz YFJVONCHMVJUIT-UHFFFAOYSA-N 2 2 377.960 3.685 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCc2noc3ccccc32)[C@H]1c1cnn(C)c1 ZINC000661526538 841842559 /nfs/dbraw/zinc/84/25/59/841842559.db2.gz HUFGOKRNEVTTBQ-JTSKRJEESA-N 2 2 381.524 3.509 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCc2noc3ccccc32)[C@H]1c1cnn(C)c1 ZINC000661526538 841842571 /nfs/dbraw/zinc/84/25/71/841842571.db2.gz HUFGOKRNEVTTBQ-JTSKRJEESA-N 2 2 381.524 3.509 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCc2noc3ccccc32)[C@H]1c1cnn(C)c1 ZINC000661526538 841842581 /nfs/dbraw/zinc/84/25/81/841842581.db2.gz HUFGOKRNEVTTBQ-JTSKRJEESA-N 2 2 381.524 3.509 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCc2noc3ccccc32)[C@H]1c1cnn(C)c1 ZINC000661526538 841842588 /nfs/dbraw/zinc/84/25/88/841842588.db2.gz HUFGOKRNEVTTBQ-JTSKRJEESA-N 2 2 381.524 3.509 20 0 GHADLP C[NH+](C)CC1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000119000337 841853030 /nfs/dbraw/zinc/85/30/30/841853030.db2.gz KOZBHFJSCFWGNT-KRLRNUBMSA-N 2 2 395.551 3.531 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893487730 842038556 /nfs/dbraw/zinc/03/85/56/842038556.db2.gz MBIMLBRICCJTGL-HOTGVXAUSA-N 2 2 389.544 3.566 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487730 842038567 /nfs/dbraw/zinc/03/85/67/842038567.db2.gz MBIMLBRICCJTGL-HOTGVXAUSA-N 2 2 389.544 3.566 20 0 GHADLP C[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Oc1ccc(Br)cc1 ZINC000512036931 842240289 /nfs/dbraw/zinc/24/02/89/842240289.db2.gz MRTOLECDMBQKMD-GFCCVEGCSA-N 2 2 384.343 3.524 20 0 GHADLP COc1cccc(OC)c1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000512087959 842456245 /nfs/dbraw/zinc/45/62/45/842456245.db2.gz MKEOUCHXLBPDQQ-QZTJIDSGSA-N 2 2 384.520 3.603 20 0 GHADLP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000511938634 842484659 /nfs/dbraw/zinc/48/46/59/842484659.db2.gz MGUGFVIDDBOVNQ-SJCJKPOMSA-N 2 2 398.370 3.833 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000548307473 842536528 /nfs/dbraw/zinc/53/65/28/842536528.db2.gz ILXICWPTXGRRKQ-PKOBYXMFSA-N 2 2 387.487 3.775 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)s1 ZINC000512115999 842544699 /nfs/dbraw/zinc/54/46/99/842544699.db2.gz RGJXYCKPJKYCJT-QGZVFWFLSA-N 2 2 396.963 3.924 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4cc(F)ccc4C3)CC2)cc1 ZINC001168415672 861336315 /nfs/dbraw/zinc/33/63/15/861336315.db2.gz RMKSSBVZHLNUMR-HSZRJFAPSA-N 2 2 396.506 3.724 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000644863486 842931200 /nfs/dbraw/zinc/93/12/00/842931200.db2.gz WZTHCNAXJDNEOG-FCHUYYIVSA-N 2 2 388.515 3.665 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000644863486 842931204 /nfs/dbraw/zinc/93/12/04/842931204.db2.gz WZTHCNAXJDNEOG-FCHUYYIVSA-N 2 2 388.515 3.665 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000471861412 842945995 /nfs/dbraw/zinc/94/59/95/842945995.db2.gz HIJYXHUZFMOPFT-FCHUYYIVSA-N 2 2 390.531 3.833 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000471861412 842946002 /nfs/dbraw/zinc/94/60/02/842946002.db2.gz HIJYXHUZFMOPFT-FCHUYYIVSA-N 2 2 390.531 3.833 20 0 GHADLP Clc1ccc(CN2CCC([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC000163589463 843014894 /nfs/dbraw/zinc/01/48/94/843014894.db2.gz HANNFNQDKGPFSX-UHFFFAOYSA-N 2 2 384.955 3.958 20 0 GHADLP Cc1cc(-c2noc([C@@H](C)[NH2+]C3CCN(c4cccc[nH+]4)CC3)n2)ccc1F ZINC000276772716 843069157 /nfs/dbraw/zinc/06/91/57/843069157.db2.gz PFIIKVYLMWUYQU-OAHLLOKOSA-N 2 2 381.455 3.899 20 0 GHADLP [NH3+]C[C@@H]1CCCc2ccc(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)cc21 ZINC000662364717 843162033 /nfs/dbraw/zinc/16/20/33/843162033.db2.gz KSBWISMVTIQOOH-KRWDZBQOSA-N 2 2 384.549 3.760 20 0 GHADLP Cc1ccc(NC(=O)C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1F ZINC000432669591 843389421 /nfs/dbraw/zinc/38/94/21/843389421.db2.gz LFTKAECIYWTPCM-LJQANCHMSA-N 2 2 387.524 3.778 20 0 GHADLP Cc1ccc(NC(=O)C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1F ZINC000432669591 843389426 /nfs/dbraw/zinc/38/94/26/843389426.db2.gz LFTKAECIYWTPCM-LJQANCHMSA-N 2 2 387.524 3.778 20 0 GHADLP CC1CC[NH+]([C@@H](CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)c2cccs2)CC1 ZINC000662664433 843502119 /nfs/dbraw/zinc/50/21/19/843502119.db2.gz XJFRWKDMATWNRK-PKOBYXMFSA-N 2 2 393.503 3.616 20 0 GHADLP [NH3+]CCC[C@H](NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000418673377 843525164 /nfs/dbraw/zinc/52/51/64/843525164.db2.gz NKJKHULCGKQOHB-HDFUYHJRSA-N 2 2 392.547 3.507 20 0 GHADLP C[NH+](C)[C@H](CC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccccc1 ZINC000433313742 843998384 /nfs/dbraw/zinc/99/83/84/843998384.db2.gz WUIMEBXLPYGHEO-HXUWFJFHSA-N 2 2 378.476 3.594 20 0 GHADLP Cc1cc(C)c(NC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c(C)[nH+]1 ZINC000575840636 844875153 /nfs/dbraw/zinc/87/51/53/844875153.db2.gz HPDWHRWIRYUNFQ-IBGZPJMESA-N 2 2 384.549 3.746 20 0 GHADLP Cc1cc(C)c(NC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c(C)[nH+]1 ZINC000575840636 844875160 /nfs/dbraw/zinc/87/51/60/844875160.db2.gz HPDWHRWIRYUNFQ-IBGZPJMESA-N 2 2 384.549 3.746 20 0 GHADLP FC(F)(F)CC[NH+]1CCC(NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000513203831 845045721 /nfs/dbraw/zinc/04/57/21/845045721.db2.gz KZOVTSPUEDFQQB-UHFFFAOYSA-N 2 2 393.563 3.745 20 0 GHADLP CC(C)Cc1ccc([C@H](CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)[NH+](C)C)cc1 ZINC000513340221 845245143 /nfs/dbraw/zinc/24/51/43/845245143.db2.gz HUOHVJNMLMJSNA-QFIPXVFZSA-N 2 2 397.567 3.800 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3c(F)ccc(O)c3F)cc2)C[C@H](C)O1 ZINC000509790287 845409583 /nfs/dbraw/zinc/40/95/83/845409583.db2.gz XHBFHIHUVHJKCO-GASCZTMLSA-N 2 2 376.447 3.569 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1nc2c(s1)CCCC2 ZINC000179402033 861566182 /nfs/dbraw/zinc/56/61/82/861566182.db2.gz JJHVCAVCDVYJDG-KRWDZBQOSA-N 2 2 384.593 3.620 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1nc2c(s1)CCCC2 ZINC000179402033 861566187 /nfs/dbraw/zinc/56/61/87/861566187.db2.gz JJHVCAVCDVYJDG-KRWDZBQOSA-N 2 2 384.593 3.620 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc4cc(Cl)ccc4o3)CC2)CC1 ZINC000422013679 846732386 /nfs/dbraw/zinc/73/23/86/846732386.db2.gz XRSWXLXCMFLAQJ-UHFFFAOYSA-N 2 2 389.927 3.718 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc4cc(Cl)ccc4o3)CC2)CC1 ZINC000422013679 846732389 /nfs/dbraw/zinc/73/23/89/846732389.db2.gz XRSWXLXCMFLAQJ-UHFFFAOYSA-N 2 2 389.927 3.718 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc4cc(Cl)sc4[nH]3)CC2)CC1 ZINC000422011929 846752437 /nfs/dbraw/zinc/75/24/37/846752437.db2.gz DAVSENKOEWUMED-UHFFFAOYSA-N 2 2 394.972 3.515 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc4cc(Cl)sc4[nH]3)CC2)CC1 ZINC000422011929 846752457 /nfs/dbraw/zinc/75/24/57/846752457.db2.gz DAVSENKOEWUMED-UHFFFAOYSA-N 2 2 394.972 3.515 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)Cc3cccc(Cl)c3)CC2)CC1 ZINC000422028067 846758971 /nfs/dbraw/zinc/75/89/71/846758971.db2.gz XCOOLNTWNCEKPD-SFHVURJKSA-N 2 2 391.987 3.537 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)Cc3cccc(Cl)c3)CC2)CC1 ZINC000422028067 846758975 /nfs/dbraw/zinc/75/89/75/846758975.db2.gz XCOOLNTWNCEKPD-SFHVURJKSA-N 2 2 391.987 3.537 20 0 GHADLP COC[C@H](C)Oc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000657381486 846763449 /nfs/dbraw/zinc/76/34/49/846763449.db2.gz QHKVMLOYUHYLFT-AVRDEDQJSA-N 2 2 379.504 3.907 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503073888 846776423 /nfs/dbraw/zinc/77/64/23/846776423.db2.gz ITMJJMXMEGXWRU-WOIUINJBSA-N 2 2 380.536 3.593 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503073888 846776430 /nfs/dbraw/zinc/77/64/30/846776430.db2.gz ITMJJMXMEGXWRU-WOIUINJBSA-N 2 2 380.536 3.593 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](c3ccc(C)cc3)C3CC3)CC2)CC1 ZINC000422130900 846862869 /nfs/dbraw/zinc/86/28/69/846862869.db2.gz BLFBYGQEACUBFQ-QHCPKHFHSA-N 2 2 398.595 3.648 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](c3ccc(C)cc3)C3CC3)CC2)CC1 ZINC000422130900 846862877 /nfs/dbraw/zinc/86/28/77/846862877.db2.gz BLFBYGQEACUBFQ-QHCPKHFHSA-N 2 2 398.595 3.648 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000501608365 847043773 /nfs/dbraw/zinc/04/37/73/847043773.db2.gz RRUVCMXJKWWODZ-WOJBJXKFSA-N 2 2 388.515 3.666 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000501608365 847043783 /nfs/dbraw/zinc/04/37/83/847043783.db2.gz RRUVCMXJKWWODZ-WOJBJXKFSA-N 2 2 388.515 3.666 20 0 GHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc([S@@](C)=O)cc1 ZINC000272318848 847046539 /nfs/dbraw/zinc/04/65/39/847046539.db2.gz VJNBCWPSWWFDID-RKOGDMNLSA-N 2 2 386.565 3.523 20 0 GHADLP CC(C)c1sc(NC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)nc1-c1ccccc1 ZINC000420365924 847142134 /nfs/dbraw/zinc/14/21/34/847142134.db2.gz QNSOZDQQMCGUAD-INIZCTEOSA-N 2 2 386.565 3.850 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000272676488 847142764 /nfs/dbraw/zinc/14/27/64/847142764.db2.gz RAWMFRFDRYPJRU-GCJKJVERSA-N 3 2 375.520 3.576 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272676488 847142770 /nfs/dbraw/zinc/14/27/70/847142770.db2.gz RAWMFRFDRYPJRU-GCJKJVERSA-N 3 2 375.520 3.576 20 0 GHADLP C[NH+]1CCC([N@H+]([C@@H]2C[C@H]3C[C@H]3C2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001167949514 847550089 /nfs/dbraw/zinc/55/00/89/847550089.db2.gz XHIFBLQIMGOEFL-XEMDLRDOSA-N 2 2 377.573 3.581 20 0 GHADLP C[NH+]1CCC([N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001167949514 847550092 /nfs/dbraw/zinc/55/00/92/847550092.db2.gz XHIFBLQIMGOEFL-XEMDLRDOSA-N 2 2 377.573 3.581 20 0 GHADLP C[C@H]1CC([NH+]2CC3(CN(C(=O)OC(C)(C)C)C3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044877 861803813 /nfs/dbraw/zinc/80/38/13/861803813.db2.gz HEASHRCUGWJDFC-OALUTQOASA-N 2 2 399.579 3.981 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000420950504 847572717 /nfs/dbraw/zinc/57/27/17/847572717.db2.gz RHMHGJFBTMMUKQ-GOSISDBHSA-N 2 2 393.531 3.718 20 0 GHADLP O=C1[C@@H]([N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCN1c1ccccc1 ZINC000503384217 847644105 /nfs/dbraw/zinc/64/41/05/847644105.db2.gz OKPFKGNCTXFNNF-RXVVDRJESA-N 2 2 378.520 3.594 20 0 GHADLP O=C1[C@@H]([N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCN1c1ccccc1 ZINC000503384217 847644112 /nfs/dbraw/zinc/64/41/12/847644112.db2.gz OKPFKGNCTXFNNF-RXVVDRJESA-N 2 2 378.520 3.594 20 0 GHADLP C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503406821 847670307 /nfs/dbraw/zinc/67/03/07/847670307.db2.gz NHIBPYNNWFRLIO-ICSRJNTNSA-N 2 2 392.547 3.767 20 0 GHADLP C[C@H]1CCc2ccccc2N1C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503406821 847670310 /nfs/dbraw/zinc/67/03/10/847670310.db2.gz NHIBPYNNWFRLIO-ICSRJNTNSA-N 2 2 392.547 3.767 20 0 GHADLP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000481597886 861818301 /nfs/dbraw/zinc/81/83/01/861818301.db2.gz MEFDTDWEGZIYMX-VQIMIIECSA-N 2 2 395.950 3.997 20 0 GHADLP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000481597886 861818321 /nfs/dbraw/zinc/81/83/21/861818321.db2.gz MEFDTDWEGZIYMX-VQIMIIECSA-N 2 2 395.950 3.997 20 0 GHADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000422632152 847742218 /nfs/dbraw/zinc/74/22/18/847742218.db2.gz GIGWUMNNWCDHTE-WOPDTQHZSA-N 2 2 377.838 3.603 20 0 GHADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000422632152 847742224 /nfs/dbraw/zinc/74/22/24/847742224.db2.gz GIGWUMNNWCDHTE-WOPDTQHZSA-N 2 2 377.838 3.603 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1)C[C@H]1CCCCO1 ZINC000503493733 847747355 /nfs/dbraw/zinc/74/73/55/847747355.db2.gz XKFGWWIHOLOTEA-HXUWFJFHSA-N 2 2 384.524 3.761 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1)C[C@H]1CCCCO1 ZINC000503493733 847747369 /nfs/dbraw/zinc/74/73/69/847747369.db2.gz XKFGWWIHOLOTEA-HXUWFJFHSA-N 2 2 384.524 3.761 20 0 GHADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422698033 847771626 /nfs/dbraw/zinc/77/16/26/847771626.db2.gz XHSQYUKJRFHOCR-HKUYNNGSSA-N 2 2 385.508 3.519 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423066705 847959502 /nfs/dbraw/zinc/95/95/02/847959502.db2.gz FIUIZPODOWRVGL-OCCSQVGLSA-N 2 2 376.850 3.747 20 0 GHADLP CC(C)C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668638700 848110414 /nfs/dbraw/zinc/11/04/14/848110414.db2.gz ARLWQGIPNJEKRA-PZJWPPBQSA-N 2 2 391.987 3.754 20 0 GHADLP CC(C)C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668638700 848110423 /nfs/dbraw/zinc/11/04/23/848110423.db2.gz ARLWQGIPNJEKRA-PZJWPPBQSA-N 2 2 391.987 3.754 20 0 GHADLP CC(C)(C)OC(=O)C1(Nc2cc3c4c(c2)CCC[NH+]4CCC3)CCC([NH3+])CC1 ZINC001167643733 848799522 /nfs/dbraw/zinc/79/95/22/848799522.db2.gz NQOMFEAMIDVHMO-UHFFFAOYSA-N 2 2 385.552 3.779 20 0 GHADLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1O ZINC000583136294 849151512 /nfs/dbraw/zinc/15/15/12/849151512.db2.gz PFFSHGMJWLOGAR-YLJYHZDGSA-N 2 2 384.520 3.894 20 0 GHADLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1O ZINC000583136294 849151514 /nfs/dbraw/zinc/15/15/14/849151514.db2.gz PFFSHGMJWLOGAR-YLJYHZDGSA-N 2 2 384.520 3.894 20 0 GHADLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1O ZINC000583136294 849151524 /nfs/dbraw/zinc/15/15/24/849151524.db2.gz PFFSHGMJWLOGAR-YLJYHZDGSA-N 2 2 384.520 3.894 20 0 GHADLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1O ZINC000583136294 849151525 /nfs/dbraw/zinc/15/15/25/849151525.db2.gz PFFSHGMJWLOGAR-YLJYHZDGSA-N 2 2 384.520 3.894 20 0 GHADLP Cc1cc(Br)cn2c(CN3CCCC[C@H]3[C@H]3CCC[NH2+]3)c[nH+]c12 ZINC000583143930 849179348 /nfs/dbraw/zinc/17/93/48/849179348.db2.gz JUOBXSWSZHRJBV-SJORKVTESA-N 2 2 377.330 3.512 20 0 GHADLP CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604209278 861994643 /nfs/dbraw/zinc/99/46/43/861994643.db2.gz NKPFTUPXAPRECU-YMPZKCBVSA-N 2 2 398.595 3.523 20 0 GHADLP CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604209278 861994655 /nfs/dbraw/zinc/99/46/55/861994655.db2.gz NKPFTUPXAPRECU-YMPZKCBVSA-N 2 2 398.595 3.523 20 0 GHADLP CCCCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H](C)c1ccccc1 ZINC000604209311 861996143 /nfs/dbraw/zinc/99/61/43/861996143.db2.gz RKHYIHLGWGKPCA-FPOVZHCZSA-N 2 2 386.584 3.728 20 0 GHADLP CCCCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H](C)c1ccccc1 ZINC000604209311 861996150 /nfs/dbraw/zinc/99/61/50/861996150.db2.gz RKHYIHLGWGKPCA-FPOVZHCZSA-N 2 2 386.584 3.728 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150850634 849424115 /nfs/dbraw/zinc/42/41/15/849424115.db2.gz JBGSVYSJUHEXQE-XUVXKRRUSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150850634 849424122 /nfs/dbraw/zinc/42/41/22/849424122.db2.gz JBGSVYSJUHEXQE-XUVXKRRUSA-N 2 2 379.548 3.823 20 0 GHADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751322 849619506 /nfs/dbraw/zinc/61/95/06/849619506.db2.gz PZOVENZMMBUWFH-OAQYLSRUSA-N 2 2 382.552 3.513 20 0 GHADLP CCN1CCO[C@@H](C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000423100786 849743792 /nfs/dbraw/zinc/74/37/92/849743792.db2.gz HMTGSTUIGCIHIM-KIHHCIJBSA-N 2 2 379.548 3.531 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000425191739 849783563 /nfs/dbraw/zinc/78/35/63/849783563.db2.gz XLUVRBIXASGNJN-COPCDDAFSA-N 2 2 388.515 3.711 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000425191739 849783568 /nfs/dbraw/zinc/78/35/68/849783568.db2.gz XLUVRBIXASGNJN-COPCDDAFSA-N 2 2 388.515 3.711 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000423368065 849889529 /nfs/dbraw/zinc/88/95/29/849889529.db2.gz MZBMVBAFDRQNQB-WQFQCULDSA-N 2 2 390.474 3.786 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CC[NH2+]1 ZINC000423404181 849910820 /nfs/dbraw/zinc/91/08/20/849910820.db2.gz YZJVQYFLGIFKQY-WNYOCNMUSA-N 2 2 392.952 3.563 20 0 GHADLP COC[C@]1(C[NH2+][C@@H]2c3cc(Br)ccc3SC[C@H]2C)CCC[NH2+]1 ZINC000423409475 849912585 /nfs/dbraw/zinc/91/25/85/849912585.db2.gz BRDRZEBQQIZBGM-OAUYIBNBSA-N 2 2 385.371 3.590 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)c2c[nH]c3ncccc23)c(C)c1 ZINC000504393654 850049807 /nfs/dbraw/zinc/04/98/07/850049807.db2.gz IMQMBORGMFLNNF-UTKZUKDTSA-N 2 2 387.487 3.979 20 0 GHADLP Cc1cc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)nc(N2CCCC2)n1 ZINC000430123410 850168123 /nfs/dbraw/zinc/16/81/23/850168123.db2.gz PIKFZNNMKKBJKE-UHFFFAOYSA-N 2 2 381.568 3.633 20 0 GHADLP Cc1cc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)nc(N2CCCC2)n1 ZINC000430123410 850168131 /nfs/dbraw/zinc/16/81/31/850168131.db2.gz PIKFZNNMKKBJKE-UHFFFAOYSA-N 2 2 381.568 3.633 20 0 GHADLP O=C(NCCCCC[NH+]1CCCC1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000458851119 850196757 /nfs/dbraw/zinc/19/67/57/850196757.db2.gz MLDATGHICJLOKD-FCHUYYIVSA-N 2 2 395.551 3.677 20 0 GHADLP CCC[N@H+](Cc1nc(-c2ccc(Br)cc2)c[nH]1)C1CC[NH2+]CC1 ZINC000435369817 850436366 /nfs/dbraw/zinc/43/63/66/850436366.db2.gz GVDKXDVXNMLRAO-UHFFFAOYSA-N 2 2 377.330 3.803 20 0 GHADLP CCC[N@@H+](Cc1nc(-c2ccc(Br)cc2)c[nH]1)C1CC[NH2+]CC1 ZINC000435369817 850436374 /nfs/dbraw/zinc/43/63/74/850436374.db2.gz GVDKXDVXNMLRAO-UHFFFAOYSA-N 2 2 377.330 3.803 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1cc2cc(OC)ccc2o1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435433985 850493400 /nfs/dbraw/zinc/49/34/00/850493400.db2.gz QCFOAGAUVVLIMZ-OAQYLSRUSA-N 2 2 394.519 3.802 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1cc2cc(OC)ccc2o1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435433985 850493406 /nfs/dbraw/zinc/49/34/06/850493406.db2.gz QCFOAGAUVVLIMZ-OAQYLSRUSA-N 2 2 394.519 3.802 20 0 GHADLP CCOc1cc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)ccc1OC ZINC000435425089 850507783 /nfs/dbraw/zinc/50/77/83/850507783.db2.gz BQTZKSCFFMJVEA-LJQANCHMSA-N 2 2 387.549 3.695 20 0 GHADLP CCOc1cc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)ccc1OC ZINC000435425089 850507799 /nfs/dbraw/zinc/50/77/99/850507799.db2.gz BQTZKSCFFMJVEA-LJQANCHMSA-N 2 2 387.549 3.695 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1cccc(OC(F)F)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435437046 850526319 /nfs/dbraw/zinc/52/63/19/850526319.db2.gz IJWFHPBIWZQORX-SFHVURJKSA-N 2 2 390.478 3.649 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1cccc(OC(F)F)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435437046 850526327 /nfs/dbraw/zinc/52/63/27/850526327.db2.gz IJWFHPBIWZQORX-SFHVURJKSA-N 2 2 390.478 3.649 20 0 GHADLP CC[C@@H](Cc1ccccc1C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000424682574 850615064 /nfs/dbraw/zinc/61/50/64/850615064.db2.gz DSNAPRHRWOHHGX-NRFANRHFSA-N 2 2 385.596 3.630 20 0 GHADLP COc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc(Br)c1OCc1ccccc1 ZINC000415007371 850656006 /nfs/dbraw/zinc/65/60/06/850656006.db2.gz CRCNLNJTDTVUSR-KBPBESRZSA-N 2 2 393.325 3.862 20 0 GHADLP CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435611330 850699208 /nfs/dbraw/zinc/69/92/08/850699208.db2.gz ANHDLCULZZUMOE-ZDUSSCGKSA-N 2 2 377.838 3.761 20 0 GHADLP CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435611330 850699213 /nfs/dbraw/zinc/69/92/13/850699213.db2.gz ANHDLCULZZUMOE-ZDUSSCGKSA-N 2 2 377.838 3.761 20 0 GHADLP O=C(C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1cc(F)ccc1F ZINC000435696869 850777214 /nfs/dbraw/zinc/77/72/14/850777214.db2.gz VTALDUDDZRXMFP-GOSISDBHSA-N 2 2 391.487 3.609 20 0 GHADLP O=C(C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1cc(F)ccc1F ZINC000435696869 850777222 /nfs/dbraw/zinc/77/72/22/850777222.db2.gz VTALDUDDZRXMFP-GOSISDBHSA-N 2 2 391.487 3.609 20 0 GHADLP Cc1ccc(NC(=O)C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c(F)c1 ZINC000435698225 850780000 /nfs/dbraw/zinc/78/00/00/850780000.db2.gz VMDUMUVYOARYFV-LJQANCHMSA-N 2 2 387.524 3.778 20 0 GHADLP Cc1ccc(NC(=O)C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c(F)c1 ZINC000435698225 850780007 /nfs/dbraw/zinc/78/00/07/850780007.db2.gz VMDUMUVYOARYFV-LJQANCHMSA-N 2 2 387.524 3.778 20 0 GHADLP CSC1(CNc2cc[nH+]c3c(Br)ccc(F)c23)CC[NH+](C)CC1 ZINC000515305066 850872905 /nfs/dbraw/zinc/87/29/05/850872905.db2.gz IVMABOAGRSFNAQ-UHFFFAOYSA-N 2 2 398.345 3.798 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000487922315 850980637 /nfs/dbraw/zinc/98/06/37/850980637.db2.gz UGDIOWKCUYIRQC-RTBURBONSA-N 2 2 386.536 3.617 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000487922315 850980645 /nfs/dbraw/zinc/98/06/45/850980645.db2.gz UGDIOWKCUYIRQC-RTBURBONSA-N 2 2 386.536 3.617 20 0 GHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000487922315 850980651 /nfs/dbraw/zinc/98/06/51/850980651.db2.gz UGDIOWKCUYIRQC-RTBURBONSA-N 2 2 386.536 3.617 20 0 GHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000487922315 850980654 /nfs/dbraw/zinc/98/06/54/850980654.db2.gz UGDIOWKCUYIRQC-RTBURBONSA-N 2 2 386.536 3.617 20 0 GHADLP Brc1ccc(OCc2ccccn2)c(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000515432305 850997309 /nfs/dbraw/zinc/99/73/09/850997309.db2.gz BRFZXPWRBLYTSO-UHFFFAOYSA-N 2 2 390.325 3.609 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425146616 851510990 /nfs/dbraw/zinc/51/09/90/851510990.db2.gz PTZIUPDTVKNIIY-KOUHRCEDSA-N 2 2 380.536 3.796 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425146616 851511002 /nfs/dbraw/zinc/51/10/02/851511002.db2.gz PTZIUPDTVKNIIY-KOUHRCEDSA-N 2 2 380.536 3.796 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244156 851580547 /nfs/dbraw/zinc/58/05/47/851580547.db2.gz FRYNAKASOXFUEC-ZWKOTPCHSA-N 2 2 380.536 3.665 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000473760867 851847015 /nfs/dbraw/zinc/84/70/15/851847015.db2.gz GAHQRBDRLXXPDO-UHFFFAOYSA-N 2 2 399.501 3.513 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000473760867 851847022 /nfs/dbraw/zinc/84/70/22/851847022.db2.gz GAHQRBDRLXXPDO-UHFFFAOYSA-N 2 2 399.501 3.513 20 0 GHADLP CO[C@H](C)c1noc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664835963 851860991 /nfs/dbraw/zinc/86/09/91/851860991.db2.gz IWVVUBXFDJYBCB-UTKZUKDTSA-N 2 2 398.551 3.900 20 0 GHADLP CO[C@H](C)c1noc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664835963 851860992 /nfs/dbraw/zinc/86/09/92/851860992.db2.gz IWVVUBXFDJYBCB-UTKZUKDTSA-N 2 2 398.551 3.900 20 0 GHADLP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000436469099 851954613 /nfs/dbraw/zinc/95/46/13/851954613.db2.gz ZBFJVYHVLSAINA-CCDWMCETSA-N 2 2 394.559 3.960 20 0 GHADLP CC(C)(C)c1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000517553232 852090334 /nfs/dbraw/zinc/09/03/34/852090334.db2.gz WLPZIFRHIMGYEX-UHFFFAOYSA-N 2 2 382.548 3.985 20 0 GHADLP COc1cc(-c2ccccc2)ccc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000517627242 852170164 /nfs/dbraw/zinc/17/01/64/852170164.db2.gz SVBTWSFVWWMPCY-UHFFFAOYSA-N 2 2 381.564 3.820 20 0 GHADLP COc1cc(-c2ccccc2)ccc1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000517627242 852170173 /nfs/dbraw/zinc/17/01/73/852170173.db2.gz SVBTWSFVWWMPCY-UHFFFAOYSA-N 2 2 381.564 3.820 20 0 GHADLP CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2)ncn1 ZINC000180776031 862333344 /nfs/dbraw/zinc/33/33/44/862333344.db2.gz UFIRQIFCYQAPSO-FXAWDEMLSA-N 2 2 376.508 3.544 20 0 GHADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](Cc2cccs2)C(C)C)CC1 ZINC000517859247 852529954 /nfs/dbraw/zinc/52/99/54/852529954.db2.gz MTAYWBADMSZTNU-UHFFFAOYSA-N 2 2 385.577 3.611 20 0 GHADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](Cc2cccs2)C(C)C)CC1 ZINC000517859247 852529964 /nfs/dbraw/zinc/52/99/64/852529964.db2.gz MTAYWBADMSZTNU-UHFFFAOYSA-N 2 2 385.577 3.611 20 0 GHADLP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC[N@@H+]1C ZINC000425676840 852596057 /nfs/dbraw/zinc/59/60/57/852596057.db2.gz UAMMFSYPCIOZSQ-IRXDYDNUSA-N 2 2 381.524 3.833 20 0 GHADLP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC[N@H+]1C ZINC000425676840 852596069 /nfs/dbraw/zinc/59/60/69/852596069.db2.gz UAMMFSYPCIOZSQ-IRXDYDNUSA-N 2 2 381.524 3.833 20 0 GHADLP C[N@H+](CCCCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)C1CC1 ZINC000425675427 852616590 /nfs/dbraw/zinc/61/65/90/852616590.db2.gz CNKFOUJWUICKOH-UHFFFAOYSA-N 2 2 381.524 3.882 20 0 GHADLP C[N@@H+](CCCCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)C1CC1 ZINC000425675427 852616592 /nfs/dbraw/zinc/61/65/92/852616592.db2.gz CNKFOUJWUICKOH-UHFFFAOYSA-N 2 2 381.524 3.882 20 0 GHADLP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425676923 852618535 /nfs/dbraw/zinc/61/85/35/852618535.db2.gz UDXNXZYYBWFKQM-QGZVFWFLSA-N 2 2 381.524 3.882 20 0 GHADLP C[N@H+](Cc1ccccc1)C1CCC(Nc2ccc(N3CCOCC3)c[nH+]2)CC1 ZINC000438826830 852930044 /nfs/dbraw/zinc/93/00/44/852930044.db2.gz PMYVRFUGWYAYGS-UHFFFAOYSA-N 2 2 380.536 3.773 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1CCC(Nc2ccc(N3CCOCC3)c[nH+]2)CC1 ZINC000438826830 852930054 /nfs/dbraw/zinc/93/00/54/852930054.db2.gz PMYVRFUGWYAYGS-UHFFFAOYSA-N 2 2 380.536 3.773 20 0 GHADLP O=C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Nc1cccc(Br)c1 ZINC000516753959 852957487 /nfs/dbraw/zinc/95/74/87/852957487.db2.gz VSKSVVKGKHVDQB-UHFFFAOYSA-N 2 2 394.357 3.774 20 0 GHADLP C(O[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)C1CCCC1 ZINC001167986484 853107623 /nfs/dbraw/zinc/10/76/23/853107623.db2.gz FWDCJNZAUUXBEP-ZOGKATQASA-N 2 2 388.596 3.830 20 0 GHADLP C(O[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)C1CCCC1 ZINC001167986484 853107628 /nfs/dbraw/zinc/10/76/28/853107628.db2.gz FWDCJNZAUUXBEP-ZOGKATQASA-N 2 2 388.596 3.830 20 0 GHADLP C(O[C@@H]1CC[C@H]2[C@H]1OCC[NH+]2C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C1CCCC1 ZINC001167986484 853107634 /nfs/dbraw/zinc/10/76/34/853107634.db2.gz FWDCJNZAUUXBEP-ZOGKATQASA-N 2 2 388.596 3.830 20 0 GHADLP C(O[C@@H]1CC[C@H]2[C@H]1OCC[NH+]2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CCCC1 ZINC001167986484 853107636 /nfs/dbraw/zinc/10/76/36/853107636.db2.gz FWDCJNZAUUXBEP-ZOGKATQASA-N 2 2 388.596 3.830 20 0 GHADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000439024592 853194435 /nfs/dbraw/zinc/19/44/35/853194435.db2.gz UQVCNCSUQZRCAN-KRWDZBQOSA-N 2 2 381.524 3.692 20 0 GHADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000439024592 853194442 /nfs/dbraw/zinc/19/44/42/853194442.db2.gz UQVCNCSUQZRCAN-KRWDZBQOSA-N 2 2 381.524 3.692 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000439081111 853265634 /nfs/dbraw/zinc/26/56/34/853265634.db2.gz XCJNGZIGGVEMGY-MRXNPFEDSA-N 2 2 378.476 3.749 20 0 GHADLP O=C(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)N1CCCc2ccccc21 ZINC000517029449 853279011 /nfs/dbraw/zinc/27/90/11/853279011.db2.gz OOQPNPUABZUQKP-QFIPXVFZSA-N 2 2 389.543 3.753 20 0 GHADLP O=C(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)N1CCCc2ccccc21 ZINC000517029449 853279021 /nfs/dbraw/zinc/27/90/21/853279021.db2.gz OOQPNPUABZUQKP-QFIPXVFZSA-N 2 2 389.543 3.753 20 0 GHADLP CN(Cc1ccccc1F)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000519693691 853399697 /nfs/dbraw/zinc/39/96/97/853399697.db2.gz RUCZQDSCHBITDH-QFIPXVFZSA-N 2 2 397.538 3.674 20 0 GHADLP CN(Cc1ccccc1F)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000519693691 853399703 /nfs/dbraw/zinc/39/97/03/853399703.db2.gz RUCZQDSCHBITDH-QFIPXVFZSA-N 2 2 397.538 3.674 20 0 GHADLP C[N@H+](Cc1c[nH]nc1-c1ccsc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000437692730 853424817 /nfs/dbraw/zinc/42/48/17/853424817.db2.gz LVTKOYZNGNSDHG-UHFFFAOYSA-N 2 2 381.549 3.672 20 0 GHADLP C[N@@H+](Cc1c[nH]nc1-c1ccsc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000437692730 853424823 /nfs/dbraw/zinc/42/48/23/853424823.db2.gz LVTKOYZNGNSDHG-UHFFFAOYSA-N 2 2 381.549 3.672 20 0 GHADLP O=C1[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccc(F)cc1 ZINC000519824049 853532796 /nfs/dbraw/zinc/53/27/96/853532796.db2.gz GYTZXCRAMXXYNB-UNMCSNQZSA-N 2 2 393.506 3.718 20 0 GHADLP O=C1[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccc(F)cc1 ZINC000519824049 853532803 /nfs/dbraw/zinc/53/28/03/853532803.db2.gz GYTZXCRAMXXYNB-UNMCSNQZSA-N 2 2 393.506 3.718 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437839168 853599155 /nfs/dbraw/zinc/59/91/55/853599155.db2.gz MBLSIIPPZBFKFI-INIZCTEOSA-N 2 2 390.478 3.536 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437839168 853599157 /nfs/dbraw/zinc/59/91/57/853599157.db2.gz MBLSIIPPZBFKFI-INIZCTEOSA-N 2 2 390.478 3.536 20 0 GHADLP O=S(=O)(CCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Cl)cc1 ZINC000550319828 853901867 /nfs/dbraw/zinc/90/18/67/853901867.db2.gz JEEWBVJDEUJPHS-UHFFFAOYSA-N 2 2 395.937 3.541 20 0 GHADLP CC[N@H+](CCc1cccs1)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000520170718 853912345 /nfs/dbraw/zinc/91/23/45/853912345.db2.gz LDFWOIBZUZUALP-LJQANCHMSA-N 2 2 385.577 3.518 20 0 GHADLP CC[N@@H+](CCc1cccs1)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000520170718 853912350 /nfs/dbraw/zinc/91/23/50/853912350.db2.gz LDFWOIBZUZUALP-LJQANCHMSA-N 2 2 385.577 3.518 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000164609448 854093284 /nfs/dbraw/zinc/09/32/84/854093284.db2.gz SSQRURSZFHGMTL-LPHOPBHVSA-N 2 2 389.341 3.686 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000164609448 854093287 /nfs/dbraw/zinc/09/32/87/854093287.db2.gz SSQRURSZFHGMTL-LPHOPBHVSA-N 2 2 389.341 3.686 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000164609448 854093290 /nfs/dbraw/zinc/09/32/90/854093290.db2.gz SSQRURSZFHGMTL-LPHOPBHVSA-N 2 2 389.341 3.686 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000164609448 854093293 /nfs/dbraw/zinc/09/32/93/854093293.db2.gz SSQRURSZFHGMTL-LPHOPBHVSA-N 2 2 389.341 3.686 20 0 GHADLP COCC[N@H+](C)CC[C@@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1 ZINC000520341055 854098481 /nfs/dbraw/zinc/09/84/81/854098481.db2.gz LQDVTADRIWMXCI-HXUWFJFHSA-N 2 2 383.540 3.588 20 0 GHADLP COCC[N@@H+](C)CC[C@@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1 ZINC000520341055 854098485 /nfs/dbraw/zinc/09/84/85/854098485.db2.gz LQDVTADRIWMXCI-HXUWFJFHSA-N 2 2 383.540 3.588 20 0 GHADLP COCC[N@H+](C)CC[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1 ZINC000520341055 854098491 /nfs/dbraw/zinc/09/84/91/854098491.db2.gz LQDVTADRIWMXCI-HXUWFJFHSA-N 2 2 383.540 3.588 20 0 GHADLP COCC[N@@H+](C)CC[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1 ZINC000520341055 854098496 /nfs/dbraw/zinc/09/84/96/854098496.db2.gz LQDVTADRIWMXCI-HXUWFJFHSA-N 2 2 383.540 3.588 20 0 GHADLP O=C1N(c2ccsc2)CC[C@@]12CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167992048 854279496 /nfs/dbraw/zinc/27/94/96/854279496.db2.gz GSLMTBKTIOUPMK-MSJQQHEFSA-N 2 2 399.604 3.972 20 0 GHADLP O=C1N(c2ccsc2)CC[C@@]12CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167992048 854279499 /nfs/dbraw/zinc/27/94/99/854279499.db2.gz GSLMTBKTIOUPMK-MSJQQHEFSA-N 2 2 399.604 3.972 20 0 GHADLP O=C1N(c2ccsc2)CC[C@@]12CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167992048 854279506 /nfs/dbraw/zinc/27/95/06/854279506.db2.gz GSLMTBKTIOUPMK-MSJQQHEFSA-N 2 2 399.604 3.972 20 0 GHADLP O=C1N(c2ccsc2)CC[C@@]12CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167992048 854279512 /nfs/dbraw/zinc/27/95/12/854279512.db2.gz GSLMTBKTIOUPMK-MSJQQHEFSA-N 2 2 399.604 3.972 20 0 GHADLP Cc1cc(C)c(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c[nH+]1 ZINC000572356092 854486193 /nfs/dbraw/zinc/48/61/93/854486193.db2.gz FKASFRNSTFVNOQ-KRWDZBQOSA-N 2 2 380.536 3.930 20 0 GHADLP Cc1cc(C)c(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c[nH+]1 ZINC000572356092 854486195 /nfs/dbraw/zinc/48/61/95/854486195.db2.gz FKASFRNSTFVNOQ-KRWDZBQOSA-N 2 2 380.536 3.930 20 0 GHADLP Cc1cc2cc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)oc2cc1C ZINC000671768800 854596539 /nfs/dbraw/zinc/59/65/39/854596539.db2.gz AQLLHBIKQYDGAH-OHSMVPPVSA-N 2 2 383.536 3.784 20 0 GHADLP Cc1cc2cc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)oc2cc1C ZINC000671768800 854596544 /nfs/dbraw/zinc/59/65/44/854596544.db2.gz AQLLHBIKQYDGAH-OHSMVPPVSA-N 2 2 383.536 3.784 20 0 GHADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc2cc(OC)ccc2c1 ZINC000482008188 862602832 /nfs/dbraw/zinc/60/28/32/862602832.db2.gz MAYKOFUMKQLUDA-DHIUTWEWSA-N 2 2 397.563 3.832 20 0 GHADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc2cc(OC)ccc2c1 ZINC000482008188 862602838 /nfs/dbraw/zinc/60/28/38/862602838.db2.gz MAYKOFUMKQLUDA-DHIUTWEWSA-N 2 2 397.563 3.832 20 0 GHADLP FC(F)(F)c1cccc(C[NH+]2CCN(C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001168389959 854835814 /nfs/dbraw/zinc/83/58/14/854835814.db2.gz ZBRXCOCBWWUKJP-UHFFFAOYSA-N 2 2 381.486 3.697 20 0 GHADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000624054062 862616896 /nfs/dbraw/zinc/61/68/96/862616896.db2.gz WOVYHBLWRLZRMH-HNNXBMFYSA-N 2 2 380.458 3.624 20 0 GHADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000127955860 855029515 /nfs/dbraw/zinc/02/95/15/855029515.db2.gz AJKFSJXUBDMEKV-AAEUAGOBSA-N 2 2 390.380 3.609 20 0 GHADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000127955860 855029526 /nfs/dbraw/zinc/02/95/26/855029526.db2.gz AJKFSJXUBDMEKV-AAEUAGOBSA-N 2 2 390.380 3.609 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC[N@@H+](C)C2CCCCC2)c(C)c1 ZINC000441512729 855545980 /nfs/dbraw/zinc/54/59/80/855545980.db2.gz RCGVCIOMWQOJRV-QFIPXVFZSA-N 2 2 397.567 3.805 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC[N@H+](C)C2CCCCC2)c(C)c1 ZINC000441512729 855545983 /nfs/dbraw/zinc/54/59/83/855545983.db2.gz RCGVCIOMWQOJRV-QFIPXVFZSA-N 2 2 397.567 3.805 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591457681 855998961 /nfs/dbraw/zinc/99/89/61/855998961.db2.gz FWKUGNANBXCDHM-VQTJNVASSA-N 2 2 396.535 3.614 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591457681 855998967 /nfs/dbraw/zinc/99/89/67/855998967.db2.gz FWKUGNANBXCDHM-VQTJNVASSA-N 2 2 396.535 3.614 20 0 GHADLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000760839830 856142353 /nfs/dbraw/zinc/14/23/53/856142353.db2.gz DCVUCZXFJKTZDH-BJKOFHAPSA-N 2 2 391.559 3.632 20 0 GHADLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000760839830 856142362 /nfs/dbraw/zinc/14/23/62/856142362.db2.gz DCVUCZXFJKTZDH-BJKOFHAPSA-N 2 2 391.559 3.632 20 0 GHADLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000760839830 856142368 /nfs/dbraw/zinc/14/23/68/856142368.db2.gz DCVUCZXFJKTZDH-BJKOFHAPSA-N 2 2 391.559 3.632 20 0 GHADLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000760839830 856142374 /nfs/dbraw/zinc/14/23/74/856142374.db2.gz DCVUCZXFJKTZDH-BJKOFHAPSA-N 2 2 391.559 3.632 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658053954 856318572 /nfs/dbraw/zinc/31/85/72/856318572.db2.gz CDGQEGYZCAEIKN-XJKSGUPXSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658053954 856318580 /nfs/dbraw/zinc/31/85/80/856318580.db2.gz CDGQEGYZCAEIKN-XJKSGUPXSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000760904475 856400133 /nfs/dbraw/zinc/40/01/33/856400133.db2.gz BTDFVOGWEUNPBE-LDOASJGRSA-N 2 2 379.548 3.712 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000760904475 856400140 /nfs/dbraw/zinc/40/01/40/856400140.db2.gz BTDFVOGWEUNPBE-LDOASJGRSA-N 2 2 379.548 3.712 20 0 GHADLP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000605165596 862817254 /nfs/dbraw/zinc/81/72/54/862817254.db2.gz LREJSXWWSNKLEF-HKUYNNGSSA-N 2 2 378.442 3.977 20 0 GHADLP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000605165596 862817268 /nfs/dbraw/zinc/81/72/68/862817268.db2.gz LREJSXWWSNKLEF-HKUYNNGSSA-N 2 2 378.442 3.977 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000658121537 856694696 /nfs/dbraw/zinc/69/46/96/856694696.db2.gz AZIOJTDVLUMVKW-LZQZEXGQSA-N 2 2 385.474 3.772 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000658121537 856694706 /nfs/dbraw/zinc/69/47/06/856694706.db2.gz AZIOJTDVLUMVKW-LZQZEXGQSA-N 2 2 385.474 3.772 20 0 GHADLP CCOc1ccc([C@@H](CO)[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168010585 856745847 /nfs/dbraw/zinc/74/58/47/856745847.db2.gz KEKIGPQKVLNKAG-NPPFBWRTSA-N 2 2 383.536 3.545 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCCc3csc4ccccc34)C2)CC1 ZINC000674800066 856809252 /nfs/dbraw/zinc/80/92/52/856809252.db2.gz UAWKEAQAXJCMJX-GOSISDBHSA-N 2 2 385.577 3.509 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCCc3csc4ccccc34)C2)CC1 ZINC000674800066 856809265 /nfs/dbraw/zinc/80/92/65/856809265.db2.gz UAWKEAQAXJCMJX-GOSISDBHSA-N 2 2 385.577 3.509 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478473 856888831 /nfs/dbraw/zinc/88/88/31/856888831.db2.gz DOYHIJRNQWKAHW-PKOBYXMFSA-N 2 2 381.520 3.684 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478473 856888835 /nfs/dbraw/zinc/88/88/35/856888835.db2.gz DOYHIJRNQWKAHW-PKOBYXMFSA-N 2 2 381.520 3.684 20 0 GHADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c(C)c1 ZINC000665252981 857016737 /nfs/dbraw/zinc/01/67/37/857016737.db2.gz BXRCUAJKLNTWBW-NQSCKRDGSA-N 2 2 383.511 3.895 20 0 GHADLP CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282171686 857106764 /nfs/dbraw/zinc/10/67/64/857106764.db2.gz VBUGJGPPGJVHMR-SFHVURJKSA-N 2 2 396.535 3.826 20 0 GHADLP CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282171686 857106768 /nfs/dbraw/zinc/10/67/68/857106768.db2.gz VBUGJGPPGJVHMR-SFHVURJKSA-N 2 2 396.535 3.826 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CCc2n[nH]c3ccccc32)cc1F ZINC000665259570 857210970 /nfs/dbraw/zinc/21/09/70/857210970.db2.gz IYTZCBQXMDEXQN-ZWWNWMABSA-N 2 2 396.510 3.767 20 0 GHADLP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658292752 857263395 /nfs/dbraw/zinc/26/33/95/857263395.db2.gz AZCIERWHLITEJU-VBQJREDUSA-N 2 2 387.351 3.992 20 0 GHADLP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(OCc2cccnc2)c1 ZINC000521116309 857639098 /nfs/dbraw/zinc/63/90/98/857639098.db2.gz JHVYSYCVFGHETO-WCRBZPEASA-N 2 2 381.520 3.726 20 0 GHADLP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(OCc2cccnc2)c1 ZINC000521116309 857639105 /nfs/dbraw/zinc/63/91/05/857639105.db2.gz JHVYSYCVFGHETO-WCRBZPEASA-N 2 2 381.520 3.726 20 0 GHADLP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OCc2cccnc2)c1 ZINC000521116309 857639116 /nfs/dbraw/zinc/63/91/16/857639116.db2.gz JHVYSYCVFGHETO-WCRBZPEASA-N 2 2 381.520 3.726 20 0 GHADLP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OCc2cccnc2)c1 ZINC000521116309 857639123 /nfs/dbraw/zinc/63/91/23/857639123.db2.gz JHVYSYCVFGHETO-WCRBZPEASA-N 2 2 381.520 3.726 20 0 GHADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000675921725 857665992 /nfs/dbraw/zinc/66/59/92/857665992.db2.gz ZFNOJIVKXHZSLJ-AUSIDOKSSA-N 2 2 390.531 3.891 20 0 GHADLP CC[N@H+](Cc1cncc(OC)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000676318133 857822339 /nfs/dbraw/zinc/82/23/39/857822339.db2.gz IIDGRJWEEQNZIY-UHFFFAOYSA-N 2 2 383.540 3.803 20 0 GHADLP CC[N@@H+](Cc1cncc(OC)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000676318133 857822348 /nfs/dbraw/zinc/82/23/48/857822348.db2.gz IIDGRJWEEQNZIY-UHFFFAOYSA-N 2 2 383.540 3.803 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000676487051 857914753 /nfs/dbraw/zinc/91/47/53/857914753.db2.gz IGWPZHAURSSMIU-KRWDZBQOSA-N 2 2 393.384 3.723 20 0 GHADLP O=C(c1ccc(NC2=[NH+]CCC2)cc1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000908119651 857933661 /nfs/dbraw/zinc/93/36/61/857933661.db2.gz RTMNAUMTIFGIQZ-UHFFFAOYSA-N 2 2 397.548 3.525 20 0 GHADLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000665290697 858059102 /nfs/dbraw/zinc/05/91/02/858059102.db2.gz HMTCXKMTGXNXBX-QMMMGPOBSA-N 2 2 394.319 3.529 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000521628592 858195241 /nfs/dbraw/zinc/19/52/41/858195241.db2.gz UBNDLKQNDFRNEK-SFTDATJTSA-N 2 2 385.939 3.896 20 0 GHADLP Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000521876247 858408615 /nfs/dbraw/zinc/40/86/15/858408615.db2.gz SVGYKAACYQRGIW-DFQSSKMNSA-N 2 2 379.504 3.785 20 0 GHADLP Cc1ccc(Oc2ccccc2NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000521876247 858408617 /nfs/dbraw/zinc/40/86/17/858408617.db2.gz SVGYKAACYQRGIW-DFQSSKMNSA-N 2 2 379.504 3.785 20 0 GHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2C2CCCCC2)([NH+]2CCCCC2)CC1 ZINC000466137819 858439886 /nfs/dbraw/zinc/43/98/86/858439886.db2.gz BWWMMFOSUZWNJY-OAQYLSRUSA-N 2 2 390.616 3.691 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(C)c1 ZINC000575064525 858509563 /nfs/dbraw/zinc/50/95/63/858509563.db2.gz DSOHQTHSUUZGHZ-ONTIZHBOSA-N 2 2 395.551 3.509 20 0 GHADLP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000482648632 858721630 /nfs/dbraw/zinc/72/16/30/858721630.db2.gz NWKPAWBGYWXSQA-MSOLQXFVSA-N 2 2 385.474 3.722 20 0 GHADLP CC(C)C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000482648632 858721641 /nfs/dbraw/zinc/72/16/41/858721641.db2.gz NWKPAWBGYWXSQA-MSOLQXFVSA-N 2 2 385.474 3.722 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cc1 ZINC000183401689 858737710 /nfs/dbraw/zinc/73/77/10/858737710.db2.gz KLAKXIQDSLWATE-UHFFFAOYSA-N 2 2 390.318 3.926 20 0 GHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535573734 858750382 /nfs/dbraw/zinc/75/03/82/858750382.db2.gz IJAHUXNCSCHMMJ-UHFFFAOYSA-N 2 2 398.526 3.924 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnnn1-c1ccccc1 ZINC000676686039 858756782 /nfs/dbraw/zinc/75/67/82/858756782.db2.gz JHNGDUNRWNVFGO-JOCHJYFZSA-N 2 2 375.520 3.658 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnnn1-c1ccccc1 ZINC000676686039 858756789 /nfs/dbraw/zinc/75/67/89/858756789.db2.gz JHNGDUNRWNVFGO-JOCHJYFZSA-N 2 2 375.520 3.658 20 0 GHADLP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc(C(C)=O)cc2)CC1)CC1CC1 ZINC000543183954 858764182 /nfs/dbraw/zinc/76/41/82/858764182.db2.gz JIUQZLMOCGDFST-UHFFFAOYSA-N 2 2 385.552 3.662 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc(C(C)=O)cc2)CC1)CC1CC1 ZINC000543183954 858764184 /nfs/dbraw/zinc/76/41/84/858764184.db2.gz JIUQZLMOCGDFST-UHFFFAOYSA-N 2 2 385.552 3.662 20 0 GHADLP Brc1ccccc1OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000093988797 858933887 /nfs/dbraw/zinc/93/38/87/858933887.db2.gz IVFKGLRPYOPGCC-CRAIPNDOSA-N 2 2 379.342 3.777 20 0 GHADLP Brc1ccccc1OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000093988797 858933891 /nfs/dbraw/zinc/93/38/91/858933891.db2.gz IVFKGLRPYOPGCC-CRAIPNDOSA-N 2 2 379.342 3.777 20 0 GHADLP Brc1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000093988797 858933897 /nfs/dbraw/zinc/93/38/97/858933897.db2.gz IVFKGLRPYOPGCC-CRAIPNDOSA-N 2 2 379.342 3.777 20 0 GHADLP Brc1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000093988797 858933904 /nfs/dbraw/zinc/93/39/04/858933904.db2.gz IVFKGLRPYOPGCC-CRAIPNDOSA-N 2 2 379.342 3.777 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(-n2cccn2)c1 ZINC000429684503 859016944 /nfs/dbraw/zinc/01/69/44/859016944.db2.gz MUYMMQITEOZMAA-GBXCKJPGSA-N 2 2 390.531 3.814 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(-n2cccn2)c1 ZINC000429684503 859016949 /nfs/dbraw/zinc/01/69/49/859016949.db2.gz MUYMMQITEOZMAA-GBXCKJPGSA-N 2 2 390.531 3.814 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]1 ZINC000483165951 859199004 /nfs/dbraw/zinc/19/90/04/859199004.db2.gz FBXUMPRGVQOFDG-WMZHIEFXSA-N 3 2 378.564 3.859 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]1 ZINC000483165951 859199009 /nfs/dbraw/zinc/19/90/09/859199009.db2.gz FBXUMPRGVQOFDG-WMZHIEFXSA-N 3 2 378.564 3.859 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)n1 ZINC000483165951 859199012 /nfs/dbraw/zinc/19/90/12/859199012.db2.gz FBXUMPRGVQOFDG-WMZHIEFXSA-N 2 2 378.564 3.859 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)n1 ZINC000483165951 859199017 /nfs/dbraw/zinc/19/90/17/859199017.db2.gz FBXUMPRGVQOFDG-WMZHIEFXSA-N 2 2 378.564 3.859 20 0 GHADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483249560 859241109 /nfs/dbraw/zinc/24/11/09/859241109.db2.gz JJBQUPFJVWEYMI-WFASDCNBSA-N 2 2 395.263 3.575 20 0 GHADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483249560 859241120 /nfs/dbraw/zinc/24/11/20/859241120.db2.gz JJBQUPFJVWEYMI-WFASDCNBSA-N 2 2 395.263 3.575 20 0 GHADLP CN(C(=O)c1ccccc1Cc1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477910 859290744 /nfs/dbraw/zinc/29/07/44/859290744.db2.gz KBSFYJCDSAOJSJ-QHCPKHFHSA-N 2 2 391.559 3.518 20 0 GHADLP CN(C(=O)c1ccccc1Cc1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477910 859290753 /nfs/dbraw/zinc/29/07/53/859290753.db2.gz KBSFYJCDSAOJSJ-QHCPKHFHSA-N 2 2 391.559 3.518 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000113934426 859407521 /nfs/dbraw/zinc/40/75/21/859407521.db2.gz AGKSXKVZECSFQW-AZUAARDMSA-N 2 2 385.552 3.804 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000113934426 859407529 /nfs/dbraw/zinc/40/75/29/859407529.db2.gz AGKSXKVZECSFQW-AZUAARDMSA-N 2 2 385.552 3.804 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000113934426 859407538 /nfs/dbraw/zinc/40/75/38/859407538.db2.gz AGKSXKVZECSFQW-AZUAARDMSA-N 2 2 385.552 3.804 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000113934426 859407543 /nfs/dbraw/zinc/40/75/43/859407543.db2.gz AGKSXKVZECSFQW-AZUAARDMSA-N 2 2 385.552 3.804 20 0 GHADLP OCC[N@H+](Cc1ccc(Br)s1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000483502823 859414304 /nfs/dbraw/zinc/41/43/04/859414304.db2.gz IGKNVVKQTKGHJE-UHFFFAOYSA-N 2 2 392.322 3.691 20 0 GHADLP OCC[N@@H+](Cc1ccc(Br)s1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000483502823 859414310 /nfs/dbraw/zinc/41/43/10/859414310.db2.gz IGKNVVKQTKGHJE-UHFFFAOYSA-N 2 2 392.322 3.691 20 0 GHADLP Brc1ccccc1C1([NH2+]C2CC[NH+](CC3CC3)CC2)CCOCC1 ZINC001168368096 859478019 /nfs/dbraw/zinc/47/80/19/859478019.db2.gz ADJFAGRPFPYHSP-UHFFFAOYSA-N 2 2 393.369 3.919 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000483721838 859559092 /nfs/dbraw/zinc/55/90/92/859559092.db2.gz GOJHBFYTFYJRGW-UHFFFAOYSA-N 2 2 379.479 3.889 20 0 GHADLP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000474229693 859650595 /nfs/dbraw/zinc/65/05/95/859650595.db2.gz QVCXDGSNUQDFBZ-QFIPXVFZSA-N 2 2 392.547 3.574 20 0 GHADLP Cc1ccc(C)c([C@@H]2CCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000474229693 859650598 /nfs/dbraw/zinc/65/05/98/859650598.db2.gz QVCXDGSNUQDFBZ-QFIPXVFZSA-N 2 2 392.547 3.574 20 0 GHADLP Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)n1 ZINC000483956216 859710872 /nfs/dbraw/zinc/71/08/72/859710872.db2.gz ZVGQUEDVGQJXCE-FQEVSTJZSA-N 2 2 389.503 3.735 20 0 GHADLP Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)n1 ZINC000483956216 859710883 /nfs/dbraw/zinc/71/08/83/859710883.db2.gz ZVGQUEDVGQJXCE-FQEVSTJZSA-N 2 2 389.503 3.735 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000483956221 859711471 /nfs/dbraw/zinc/71/14/71/859711471.db2.gz LNODKYHEOQDSHJ-OAQYLSRUSA-N 2 2 378.451 3.557 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000483956221 859711477 /nfs/dbraw/zinc/71/14/77/859711477.db2.gz LNODKYHEOQDSHJ-OAQYLSRUSA-N 2 2 378.451 3.557 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000484017451 859767455 /nfs/dbraw/zinc/76/74/55/859767455.db2.gz WBAHWVKJCNSVCI-YWZLYKJASA-N 2 2 377.891 3.753 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000484017451 859767464 /nfs/dbraw/zinc/76/74/64/859767464.db2.gz WBAHWVKJCNSVCI-YWZLYKJASA-N 2 2 377.891 3.753 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000484126033 859815453 /nfs/dbraw/zinc/81/54/53/859815453.db2.gz CWZXAJIHNXFKOU-DZFGPLHGSA-N 2 2 386.536 3.835 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000484126033 859815464 /nfs/dbraw/zinc/81/54/64/859815464.db2.gz CWZXAJIHNXFKOU-DZFGPLHGSA-N 2 2 386.536 3.835 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C[C@H]1C(F)(F)F ZINC001168537514 859817459 /nfs/dbraw/zinc/81/74/59/859817459.db2.gz DMPYZYUJZYLGLC-GJZGRUSLSA-N 2 2 398.429 3.754 20 0 GHADLP CC(=O)CCCCCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000765198082 859832415 /nfs/dbraw/zinc/83/24/15/859832415.db2.gz VHKGJYDJNSNEEH-FGZHOGPDSA-N 2 2 393.616 3.712 20 0 GHADLP CC(=O)CCCCCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000765198082 859832427 /nfs/dbraw/zinc/83/24/27/859832427.db2.gz VHKGJYDJNSNEEH-FGZHOGPDSA-N 2 2 393.616 3.712 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(-c4ccccc4)ccc3Cl)C2)CC1 ZINC000602206518 859850526 /nfs/dbraw/zinc/85/05/26/859850526.db2.gz ZBVJYHKFBKJSEN-IBGZPJMESA-N 2 2 397.950 3.905 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(-c4ccccc4)ccc3Cl)C2)CC1 ZINC000602206518 859850533 /nfs/dbraw/zinc/85/05/33/859850533.db2.gz ZBVJYHKFBKJSEN-IBGZPJMESA-N 2 2 397.950 3.905 20 0 GHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000484161550 859854053 /nfs/dbraw/zinc/85/40/53/859854053.db2.gz NCOKXAKVJLFJJJ-HTAPYJJXSA-N 2 2 390.474 3.884 20 0 GHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000484161550 859854059 /nfs/dbraw/zinc/85/40/59/859854059.db2.gz NCOKXAKVJLFJJJ-HTAPYJJXSA-N 2 2 390.474 3.884 20 0 GHADLP Cc1nc2sc3c(c2c(N[C@H]2CC[N@@H+](C4CC[NH+](C)CC4)C2)n1)CC[C@H](C)C3 ZINC000602233318 859882245 /nfs/dbraw/zinc/88/22/45/859882245.db2.gz RRXREJKIXPWRSF-HOCLYGCPSA-N 2 2 399.608 3.705 20 0 GHADLP Cc1nc2sc3c(c2c(N[C@H]2CC[N@H+](C4CC[NH+](C)CC4)C2)n1)CC[C@H](C)C3 ZINC000602233318 859882255 /nfs/dbraw/zinc/88/22/55/859882255.db2.gz RRXREJKIXPWRSF-HOCLYGCPSA-N 2 2 399.608 3.705 20 0 GHADLP C[C@@H]1CC([NH2+]Cc2ccnc(OCC3CC3)n2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168033861 859984178 /nfs/dbraw/zinc/98/41/78/859984178.db2.gz MKEUFJUYCGPKRR-QZTJIDSGSA-N 2 2 380.536 3.797 20 0 GHADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191837754 860374957 /nfs/dbraw/zinc/37/49/57/860374957.db2.gz RBBLCQIAVPPRQR-RBBKRZOGSA-N 2 2 395.547 3.593 20 0 GHADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191837754 860374965 /nfs/dbraw/zinc/37/49/65/860374965.db2.gz RBBLCQIAVPPRQR-RBBKRZOGSA-N 2 2 395.547 3.593 20 0 GHADLP CC[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1nnc2n1CCCCC2 ZINC000765644109 860375658 /nfs/dbraw/zinc/37/56/58/860375658.db2.gz PVWMBIFGOGQDRL-NRFANRHFSA-N 2 2 396.583 3.780 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000765681180 860393113 /nfs/dbraw/zinc/39/31/13/860393113.db2.gz HEGLSUAXTRMAID-UIFIKXQLSA-N 2 2 392.465 3.937 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000765681180 860393118 /nfs/dbraw/zinc/39/31/18/860393118.db2.gz HEGLSUAXTRMAID-UIFIKXQLSA-N 2 2 392.465 3.937 20 0 GHADLP c1ccc(OC[C@@H]2CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000508991122 860456712 /nfs/dbraw/zinc/45/67/12/860456712.db2.gz MRJBZWULAOEYOG-JOCHJYFZSA-N 2 2 379.548 3.600 20 0 GHADLP c1ccc(OC[C@@H]2CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000508991122 860456716 /nfs/dbraw/zinc/45/67/16/860456716.db2.gz MRJBZWULAOEYOG-JOCHJYFZSA-N 2 2 379.548 3.600 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000904639615 860540340 /nfs/dbraw/zinc/54/03/40/860540340.db2.gz JUYTZBIWZWGYPM-OALUTQOASA-N 2 2 390.890 3.895 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000904639615 860540344 /nfs/dbraw/zinc/54/03/44/860540344.db2.gz JUYTZBIWZWGYPM-OALUTQOASA-N 2 2 390.890 3.895 20 0 GHADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)CC1 ZINC000598965304 860693250 /nfs/dbraw/zinc/69/32/50/860693250.db2.gz NCEVTNDTAIOFJN-UHFFFAOYSA-N 2 2 382.570 3.682 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)Cc1ccccc1 ZINC000474775380 860777157 /nfs/dbraw/zinc/77/71/57/860777157.db2.gz MVJDETWDBCZEMU-WOJBJXKFSA-N 2 2 396.579 3.707 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)Cc1ccccc1 ZINC000474775380 860777164 /nfs/dbraw/zinc/77/71/64/860777164.db2.gz MVJDETWDBCZEMU-WOJBJXKFSA-N 2 2 396.579 3.707 20 0 GHADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2([NH+](C)C)Cc3ccccc3C2)cc1OC ZINC000474801969 860804770 /nfs/dbraw/zinc/80/47/70/860804770.db2.gz UBZQTJOMLHLIIW-ROUUACIJSA-N 2 2 382.548 3.885 20 0 GHADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1csc2ccccc21 ZINC000730068201 860859338 /nfs/dbraw/zinc/85/93/38/860859338.db2.gz LJGGEATWRSPKPT-MRXNPFEDSA-N 2 2 388.581 3.630 20 0 GHADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1csc2ccccc21 ZINC000730068201 860859344 /nfs/dbraw/zinc/85/93/44/860859344.db2.gz LJGGEATWRSPKPT-MRXNPFEDSA-N 2 2 388.581 3.630 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481321416 861037563 /nfs/dbraw/zinc/03/75/63/861037563.db2.gz OTZMXNNJMITKFD-OFVILXPXSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481321416 861037582 /nfs/dbraw/zinc/03/75/82/861037582.db2.gz OTZMXNNJMITKFD-OFVILXPXSA-N 3 2 393.575 3.519 20 0 GHADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000182025689 863092681 /nfs/dbraw/zinc/09/26/81/863092681.db2.gz SAZZXTAPLSOLQA-UHFFFAOYSA-N 2 2 382.426 3.854 20 0 GHADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000182025689 863092693 /nfs/dbraw/zinc/09/26/93/863092693.db2.gz SAZZXTAPLSOLQA-UHFFFAOYSA-N 2 2 382.426 3.854 20 0 GHADLP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)nnn1-c1ccccc1 ZINC000482440564 863125573 /nfs/dbraw/zinc/12/55/73/863125573.db2.gz QWPRJERLEWGALT-SIKLNZKXSA-N 2 2 389.547 3.791 20 0 GHADLP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)nnn1-c1ccccc1 ZINC000482440564 863125580 /nfs/dbraw/zinc/12/55/80/863125580.db2.gz QWPRJERLEWGALT-SIKLNZKXSA-N 2 2 389.547 3.791 20 0 GHADLP COc1ccc2oc(CNc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)cc2c1 ZINC000482564909 863318661 /nfs/dbraw/zinc/31/86/61/863318661.db2.gz UCBJXVWVHXZRCS-UHFFFAOYSA-N 2 2 380.492 3.979 20 0 GHADLP Cc1ccc([C@@H](Cc2ccccc2)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1C ZINC000482632376 863407573 /nfs/dbraw/zinc/40/75/73/863407573.db2.gz FVQOAEYHCFPLAX-PKTZIBPZSA-N 2 2 379.548 3.517 20 0 GHADLP Cc1ccc([C@@H](Cc2ccccc2)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1C ZINC000482632376 863407578 /nfs/dbraw/zinc/40/75/78/863407578.db2.gz FVQOAEYHCFPLAX-PKTZIBPZSA-N 2 2 379.548 3.517 20 0 GHADLP Clc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(-n2cncn2)c1 ZINC000281948476 863534873 /nfs/dbraw/zinc/53/48/73/863534873.db2.gz FLIVQOFJDXNWIO-QGZVFWFLSA-N 2 2 396.926 3.833 20 0 GHADLP Clc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(-n2cncn2)c1 ZINC000281948476 863534876 /nfs/dbraw/zinc/53/48/76/863534876.db2.gz FLIVQOFJDXNWIO-QGZVFWFLSA-N 2 2 396.926 3.833 20 0 GHADLP CC1CC[NH+]([C@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)c2cccs2)CC1 ZINC000606582070 863732105 /nfs/dbraw/zinc/73/21/05/863732105.db2.gz CAQMWUCTKMDVCN-QGZVFWFLSA-N 2 2 383.521 3.991 20 0 GHADLP CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000159023455 864012969 /nfs/dbraw/zinc/01/29/69/864012969.db2.gz JPKOQDGEHRWSQN-RPWUZVMVSA-N 2 2 391.559 3.875 20 0 GHADLP CN(C)C(=O)c1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000159023455 864012982 /nfs/dbraw/zinc/01/29/82/864012982.db2.gz JPKOQDGEHRWSQN-RPWUZVMVSA-N 2 2 391.559 3.875 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000159023455 864012998 /nfs/dbraw/zinc/01/29/98/864012998.db2.gz JPKOQDGEHRWSQN-RPWUZVMVSA-N 2 2 391.559 3.875 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000159023455 864013014 /nfs/dbraw/zinc/01/30/14/864013014.db2.gz JPKOQDGEHRWSQN-RPWUZVMVSA-N 2 2 391.559 3.875 20 0 GHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000607167860 864130865 /nfs/dbraw/zinc/13/08/65/864130865.db2.gz MFTBUQCZHJRVHS-GGAORHGYSA-N 2 2 376.500 3.919 20 0 GHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000607167860 864130870 /nfs/dbraw/zinc/13/08/70/864130870.db2.gz MFTBUQCZHJRVHS-GGAORHGYSA-N 2 2 376.500 3.919 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000734510622 864269186 /nfs/dbraw/zinc/26/91/86/864269186.db2.gz XZFVQCPJTVURIQ-KBXCAEBGSA-N 2 2 387.337 3.815 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000734510622 864269194 /nfs/dbraw/zinc/26/91/94/864269194.db2.gz XZFVQCPJTVURIQ-KBXCAEBGSA-N 2 2 387.337 3.815 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccc4c(c3)COC4)CC2)c1 ZINC000480253079 864332832 /nfs/dbraw/zinc/33/28/32/864332832.db2.gz VOZVMBJZSICXMQ-FQEVSTJZSA-N 2 2 379.548 3.888 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccc(Cl)cc1Cl ZINC000429538938 881756054 /nfs/dbraw/zinc/75/60/54/881756054.db2.gz JXWDHGXIBOVLEM-OFQRWUPVSA-N 2 2 386.367 3.975 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccc(Cl)cc1Cl ZINC000429538938 881756065 /nfs/dbraw/zinc/75/60/65/881756065.db2.gz JXWDHGXIBOVLEM-OFQRWUPVSA-N 2 2 386.367 3.975 20 0 GHADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H]1Oc1ccccc1 ZINC000480274430 864384786 /nfs/dbraw/zinc/38/47/86/864384786.db2.gz NTDKVAMYBCBPRS-FCEUIQTBSA-N 2 2 381.451 3.726 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)COCc2ccccc2F)c(C)c1 ZINC000554643224 864648514 /nfs/dbraw/zinc/64/85/14/864648514.db2.gz WWHSLTLAPWURAO-NFBKMPQASA-N 2 2 397.494 3.548 20 0 GHADLP COc1cc(N2CC[NH+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)CC2)ccn1 ZINC001168060746 864715533 /nfs/dbraw/zinc/71/55/33/864715533.db2.gz XYQUJSJXDKPJDN-PMACEKPBSA-N 2 2 394.563 3.654 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(CC[NH+](C)C)C3CCCC3)n2)C1 ZINC000532327486 881804029 /nfs/dbraw/zinc/80/40/29/881804029.db2.gz SFWZEKQLEDSOIB-MRXNPFEDSA-N 2 2 393.601 3.713 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(CC[NH+](C)C)C3CCCC3)n2)C1 ZINC000532327486 881804044 /nfs/dbraw/zinc/80/40/44/881804044.db2.gz SFWZEKQLEDSOIB-MRXNPFEDSA-N 2 2 393.601 3.713 20 0 GHADLP CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)Cn1nccc1-c1ccncc1 ZINC000173550068 864867169 /nfs/dbraw/zinc/86/71/69/864867169.db2.gz JVLFDILKGHKTMG-NRFANRHFSA-N 2 2 375.520 3.747 20 0 GHADLP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)Cn1nccc1-c1ccncc1 ZINC000173550068 864867174 /nfs/dbraw/zinc/86/71/74/864867174.db2.gz JVLFDILKGHKTMG-NRFANRHFSA-N 2 2 375.520 3.747 20 0 GHADLP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cn1nccc1-c1ccncc1 ZINC000173550068 864867182 /nfs/dbraw/zinc/86/71/82/864867182.db2.gz JVLFDILKGHKTMG-NRFANRHFSA-N 2 2 375.520 3.747 20 0 GHADLP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1nccc1-c1ccncc1 ZINC000173550068 864867190 /nfs/dbraw/zinc/86/71/90/864867190.db2.gz JVLFDILKGHKTMG-NRFANRHFSA-N 2 2 375.520 3.747 20 0 GHADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000480562188 864869503 /nfs/dbraw/zinc/86/95/03/864869503.db2.gz YYHFCNMNHISUAP-FQEVSTJZSA-N 2 2 383.511 3.963 20 0 GHADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000480562188 864869519 /nfs/dbraw/zinc/86/95/19/864869519.db2.gz YYHFCNMNHISUAP-FQEVSTJZSA-N 2 2 383.511 3.963 20 0 GHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000480562188 864869533 /nfs/dbraw/zinc/86/95/33/864869533.db2.gz YYHFCNMNHISUAP-FQEVSTJZSA-N 2 2 383.511 3.963 20 0 GHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000480562188 864869547 /nfs/dbraw/zinc/86/95/47/864869547.db2.gz YYHFCNMNHISUAP-FQEVSTJZSA-N 2 2 383.511 3.963 20 0 GHADLP COc1cc2c(cc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)O[C@H](C)C2 ZINC000608069573 864960827 /nfs/dbraw/zinc/96/08/27/864960827.db2.gz CKRSSQLNDVNSON-UZLBHIALSA-N 2 2 377.488 3.826 20 0 GHADLP [NH3+]Cc1cccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000667728787 865137655 /nfs/dbraw/zinc/13/76/55/865137655.db2.gz ZXNKOPYBMNMDNG-SFHVURJKSA-N 2 2 390.890 3.724 20 0 GHADLP [NH3+]Cc1cccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000667728787 865137665 /nfs/dbraw/zinc/13/76/65/865137665.db2.gz ZXNKOPYBMNMDNG-SFHVURJKSA-N 2 2 390.890 3.724 20 0 GHADLP [NH3+]Cc1cccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000667728786 865137807 /nfs/dbraw/zinc/13/78/07/865137807.db2.gz ZXNKOPYBMNMDNG-GOSISDBHSA-N 2 2 390.890 3.724 20 0 GHADLP [NH3+]Cc1cccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000667728786 865137811 /nfs/dbraw/zinc/13/78/11/865137811.db2.gz ZXNKOPYBMNMDNG-GOSISDBHSA-N 2 2 390.890 3.724 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000667734911 865143663 /nfs/dbraw/zinc/14/36/63/865143663.db2.gz BRPSXPZMEQOVSO-RTBURBONSA-N 2 2 390.890 3.895 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000667734911 865143673 /nfs/dbraw/zinc/14/36/73/865143673.db2.gz BRPSXPZMEQOVSO-RTBURBONSA-N 2 2 390.890 3.895 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000429539472 881840157 /nfs/dbraw/zinc/84/01/57/881840157.db2.gz LCWMXRJOBIJCRM-OAQYLSRUSA-N 2 2 389.559 3.903 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000429539472 881840174 /nfs/dbraw/zinc/84/01/74/881840174.db2.gz LCWMXRJOBIJCRM-OAQYLSRUSA-N 2 2 389.559 3.903 20 0 GHADLP Cc1cc(C[NH+]2CCN(c3cc[nH+]c4cc(Br)ccc43)CC2)on1 ZINC000301318672 865281545 /nfs/dbraw/zinc/28/15/45/865281545.db2.gz QBPNSAWWMBOWTK-UHFFFAOYSA-N 2 2 387.281 3.616 20 0 GHADLP Cc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301510541 865397051 /nfs/dbraw/zinc/39/70/51/865397051.db2.gz CYYJEQSFZABDAB-UHFFFAOYSA-N 3 2 378.467 3.583 20 0 GHADLP Cc1cc(NCc2ccccc2OCC[NH+]2CCOCC2)c2ccccc2[nH+]1 ZINC000301525873 865402672 /nfs/dbraw/zinc/40/26/72/865402672.db2.gz HSWZDNFYLDYSPX-UHFFFAOYSA-N 2 2 377.488 3.866 20 0 GHADLP COCCn1c2ccc(Cl)cc2n(C[NH+]2CCC(C[NH+](C)C)CC2)c1=S ZINC000738077318 865481035 /nfs/dbraw/zinc/48/10/35/865481035.db2.gz SEQVCUFKFLLPLC-UHFFFAOYSA-N 2 2 396.988 3.703 20 0 GHADLP Fc1cncc(C[NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000494547914 881893486 /nfs/dbraw/zinc/89/34/86/881893486.db2.gz MUZSGAAFWJUIMO-UHFFFAOYSA-N 2 2 396.432 3.541 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCCO[C@H](c4ccccc4)C3)C2)cc1 ZINC000671240616 865716767 /nfs/dbraw/zinc/71/67/67/865716767.db2.gz DILAOANTHLJCON-ZEQRLZLVSA-N 2 2 380.532 3.741 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCCO[C@H](c4ccccc4)C3)C2)cc1 ZINC000671240616 865716778 /nfs/dbraw/zinc/71/67/78/865716778.db2.gz DILAOANTHLJCON-ZEQRLZLVSA-N 2 2 380.532 3.741 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCCO[C@H](c4ccccc4)C3)C2)cc1 ZINC000671240616 865716782 /nfs/dbraw/zinc/71/67/82/865716782.db2.gz DILAOANTHLJCON-ZEQRLZLVSA-N 2 2 380.532 3.741 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CCCO[C@H](c4ccccc4)C3)C2)cc1 ZINC000671240616 865716791 /nfs/dbraw/zinc/71/67/91/865716791.db2.gz DILAOANTHLJCON-ZEQRLZLVSA-N 2 2 380.532 3.741 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000481166673 865908510 /nfs/dbraw/zinc/90/85/10/865908510.db2.gz BOUGZEJKFGXOHS-AZUAARDMSA-N 2 2 395.572 3.626 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000481166673 865908517 /nfs/dbraw/zinc/90/85/17/865908517.db2.gz BOUGZEJKFGXOHS-AZUAARDMSA-N 2 2 395.572 3.626 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000302800976 865930831 /nfs/dbraw/zinc/93/08/31/865930831.db2.gz TURRBDUSEYOHML-GOSISDBHSA-N 2 2 397.592 3.874 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000302800976 865930839 /nfs/dbraw/zinc/93/08/39/865930839.db2.gz TURRBDUSEYOHML-GOSISDBHSA-N 2 2 397.592 3.874 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000302800976 865930849 /nfs/dbraw/zinc/93/08/49/865930849.db2.gz TURRBDUSEYOHML-GOSISDBHSA-N 2 2 397.592 3.874 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000302800976 865930859 /nfs/dbraw/zinc/93/08/59/865930859.db2.gz TURRBDUSEYOHML-GOSISDBHSA-N 2 2 397.592 3.874 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCCc2ccccc21 ZINC000481177385 865930823 /nfs/dbraw/zinc/93/08/23/865930823.db2.gz ZLUAPCFANBLQRM-JTAQYXEDSA-N 2 2 391.559 3.855 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCCc2ccccc21 ZINC000481177385 865930832 /nfs/dbraw/zinc/93/08/32/865930832.db2.gz ZLUAPCFANBLQRM-JTAQYXEDSA-N 2 2 391.559 3.855 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(C)Cc1cccc(F)c1 ZINC000481184538 865947143 /nfs/dbraw/zinc/94/71/43/865947143.db2.gz CWWKMAIUPIRJEA-SELNLUPBSA-N 2 2 397.538 3.673 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(C)Cc1cccc(F)c1 ZINC000481184538 865947150 /nfs/dbraw/zinc/94/71/50/865947150.db2.gz CWWKMAIUPIRJEA-SELNLUPBSA-N 2 2 397.538 3.673 20 0 GHADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001273372954 866017963 /nfs/dbraw/zinc/01/79/63/866017963.db2.gz SDKBTETZHILVAT-CALCHBBNSA-N 2 2 396.362 3.510 20 0 GHADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001273372954 866017981 /nfs/dbraw/zinc/01/79/81/866017981.db2.gz SDKBTETZHILVAT-CALCHBBNSA-N 2 2 396.362 3.510 20 0 GHADLP COC(=O)[C@H](c1ccccc1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534226600 866339988 /nfs/dbraw/zinc/33/99/88/866339988.db2.gz PGPZGRHUWSZPIO-QFIPXVFZSA-N 2 2 378.516 3.889 20 0 GHADLP COC(=O)[C@H](c1ccccc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534226600 866340006 /nfs/dbraw/zinc/34/00/06/866340006.db2.gz PGPZGRHUWSZPIO-QFIPXVFZSA-N 2 2 378.516 3.889 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000552879756 866420437 /nfs/dbraw/zinc/42/04/37/866420437.db2.gz DVQOVHNHLBMCRA-NQIIRXRSSA-N 2 2 381.520 3.667 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000552879756 866420443 /nfs/dbraw/zinc/42/04/43/866420443.db2.gz DVQOVHNHLBMCRA-NQIIRXRSSA-N 2 2 381.520 3.667 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552907045 866435939 /nfs/dbraw/zinc/43/59/39/866435939.db2.gz NVYCAITZEWSAJP-SFHVURJKSA-N 2 2 384.549 3.590 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000552907045 866435947 /nfs/dbraw/zinc/43/59/47/866435947.db2.gz NVYCAITZEWSAJP-SFHVURJKSA-N 2 2 384.549 3.590 20 0 GHADLP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000620550055 866848660 /nfs/dbraw/zinc/84/86/60/866848660.db2.gz FRAMFZCKZWDOOH-CRAIPNDOSA-N 2 2 398.954 3.646 20 0 GHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)C2)CC1 ZINC000793233434 882026973 /nfs/dbraw/zinc/02/69/73/882026973.db2.gz TVUJRCAPNYFPAE-KDQUWOQTSA-N 2 2 380.545 3.761 20 0 GHADLP Cn1nc(C(F)(F)F)c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000793206887 882032215 /nfs/dbraw/zinc/03/22/15/882032215.db2.gz LRNWKGFKSCZHLE-CQSZACIVSA-N 2 2 386.849 3.704 20 0 GHADLP Cn1nc(C(F)(F)F)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000793206887 882032235 /nfs/dbraw/zinc/03/22/35/882032235.db2.gz LRNWKGFKSCZHLE-CQSZACIVSA-N 2 2 386.849 3.704 20 0 GHADLP C/C(=C/C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1Cl ZINC000742011229 866978860 /nfs/dbraw/zinc/97/88/60/866978860.db2.gz MCMZXIZHDDLFMO-VLGSPTGOSA-N 2 2 389.971 3.810 20 0 GHADLP O=C(C[N@H+]1CCCC[C@H]1c1cccc(Cl)c1)NC1CC[NH+](C2CC2)CC1 ZINC000444793643 867257145 /nfs/dbraw/zinc/25/71/45/867257145.db2.gz PRDYSIHBORFAIC-FQEVSTJZSA-N 2 2 375.944 3.610 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1)NC1CC[NH+](C2CC2)CC1 ZINC000444793643 867257160 /nfs/dbraw/zinc/25/71/60/867257160.db2.gz PRDYSIHBORFAIC-FQEVSTJZSA-N 2 2 375.944 3.610 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(-c2ccncc2)cc1 ZINC000553363994 867266767 /nfs/dbraw/zinc/26/67/67/867266767.db2.gz BCCQNFKZBNWJJX-KBMIEXCESA-N 2 2 387.527 3.818 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(-c2ccncc2)cc1 ZINC000553363994 867266781 /nfs/dbraw/zinc/26/67/81/867266781.db2.gz BCCQNFKZBNWJJX-KBMIEXCESA-N 2 2 387.527 3.818 20 0 GHADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000523444450 867325374 /nfs/dbraw/zinc/32/53/74/867325374.db2.gz ZWLWHUFIPQGDAP-NZQKXSOJSA-N 2 2 383.580 3.764 20 0 GHADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000523444450 867325382 /nfs/dbraw/zinc/32/53/82/867325382.db2.gz ZWLWHUFIPQGDAP-NZQKXSOJSA-N 2 2 383.580 3.764 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(-c2ccc(Br)cc2)s1 ZINC000154339685 867361126 /nfs/dbraw/zinc/36/11/26/867361126.db2.gz LWLLARCHOOVSEQ-WFASDCNBSA-N 2 2 383.355 3.751 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553555787 867651277 /nfs/dbraw/zinc/65/12/77/867651277.db2.gz PHQISUYJVLMYEM-QIJUGHKUSA-N 2 2 388.515 3.568 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553555787 867651284 /nfs/dbraw/zinc/65/12/84/867651284.db2.gz PHQISUYJVLMYEM-QIJUGHKUSA-N 2 2 388.515 3.568 20 0 GHADLP Brc1ccc(OCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534864039 867667413 /nfs/dbraw/zinc/66/74/13/867667413.db2.gz RQJHUVDOGPFITK-UHFFFAOYSA-N 2 2 376.298 3.799 20 0 GHADLP CC1(C)Cc2occc2[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000155161667 867777730 /nfs/dbraw/zinc/77/77/30/867777730.db2.gz DRDRTQMLXFQRJC-NRFANRHFSA-N 2 2 384.520 3.794 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc2c(s1)CCC2 ZINC000155169945 867781945 /nfs/dbraw/zinc/78/19/45/867781945.db2.gz DYFBNXDARQXPQS-KRWDZBQOSA-N 2 2 386.561 3.799 20 0 GHADLP Cc1[nH+]ccn1CCC[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000534955918 867826662 /nfs/dbraw/zinc/82/66/62/867826662.db2.gz ULTIXSXRSYLJJS-UHFFFAOYSA-N 2 2 381.549 3.523 20 0 GHADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000479512796 867933918 /nfs/dbraw/zinc/93/39/18/867933918.db2.gz MZQACKPHKRHMRV-HFAKWTLXSA-N 2 2 392.712 3.763 20 0 GHADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000479512796 867933928 /nfs/dbraw/zinc/93/39/28/867933928.db2.gz MZQACKPHKRHMRV-HFAKWTLXSA-N 2 2 392.712 3.763 20 0 GHADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000479512812 867934259 /nfs/dbraw/zinc/93/42/59/867934259.db2.gz MZQACKPHKRHMRV-ZETOZRRWSA-N 2 2 392.712 3.763 20 0 GHADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000479512812 867934274 /nfs/dbraw/zinc/93/42/74/867934274.db2.gz MZQACKPHKRHMRV-ZETOZRRWSA-N 2 2 392.712 3.763 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000553974451 868547335 /nfs/dbraw/zinc/54/73/35/868547335.db2.gz XZOURLWBMVCILF-OAQYLSRUSA-N 2 2 391.987 3.741 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000553974451 868547344 /nfs/dbraw/zinc/54/73/44/868547344.db2.gz XZOURLWBMVCILF-OAQYLSRUSA-N 2 2 391.987 3.741 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000479829581 868576652 /nfs/dbraw/zinc/57/66/52/868576652.db2.gz IHCLUDDGRHXRAR-PMACEKPBSA-N 2 2 396.526 3.518 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000479829581 868576655 /nfs/dbraw/zinc/57/66/55/868576655.db2.gz IHCLUDDGRHXRAR-PMACEKPBSA-N 2 2 396.526 3.518 20 0 GHADLP C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535576184 869029484 /nfs/dbraw/zinc/02/94/84/869029484.db2.gz QHTDDUXPSVVUGL-MSOLQXFVSA-N 2 2 378.520 3.714 20 0 GHADLP CCC[N@H+](CC)Cc1ccc(-c2nc([C@H]3C[NH+]4CCCC[C@H]4CO3)no2)cc1 ZINC000445823953 869034930 /nfs/dbraw/zinc/03/49/30/869034930.db2.gz KJKUAUFEJKXGHA-VQTJNVASSA-N 2 2 384.524 3.894 20 0 GHADLP CCC[N@@H+](CC)Cc1ccc(-c2nc([C@H]3C[NH+]4CCCC[C@H]4CO3)no2)cc1 ZINC000445823953 869034940 /nfs/dbraw/zinc/03/49/40/869034940.db2.gz KJKUAUFEJKXGHA-VQTJNVASSA-N 2 2 384.524 3.894 20 0 GHADLP CCC[NH+](CC)Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000445823953 869034950 /nfs/dbraw/zinc/03/49/50/869034950.db2.gz KJKUAUFEJKXGHA-VQTJNVASSA-N 2 2 384.524 3.894 20 0 GHADLP CCC[NH+](CC)Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000445823953 869034960 /nfs/dbraw/zinc/03/49/60/869034960.db2.gz KJKUAUFEJKXGHA-VQTJNVASSA-N 2 2 384.524 3.894 20 0 GHADLP CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428424989 869201812 /nfs/dbraw/zinc/20/18/12/869201812.db2.gz VHICBIHEAMOJQI-SJLPKXTDSA-N 2 2 378.586 3.872 20 0 GHADLP CCC[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000539485749 869221057 /nfs/dbraw/zinc/22/10/57/869221057.db2.gz GKNQCVROYNCDOC-OAQYLSRUSA-N 2 2 391.519 3.530 20 0 GHADLP CCC[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000539485749 869221068 /nfs/dbraw/zinc/22/10/68/869221068.db2.gz GKNQCVROYNCDOC-OAQYLSRUSA-N 2 2 391.519 3.530 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCOc3c(F)cccc32)CC1 ZINC000446134104 869420751 /nfs/dbraw/zinc/42/07/51/869420751.db2.gz ATOAGMDIJMYEFL-LJQANCHMSA-N 2 2 389.902 3.844 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1OCc1cccnc1 ZINC000539850913 869885858 /nfs/dbraw/zinc/88/58/58/869885858.db2.gz MLQDZLUSXYVJTQ-JOCHJYFZSA-N 2 2 395.547 3.833 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1OCc1cccnc1 ZINC000539850913 869885870 /nfs/dbraw/zinc/88/58/70/869885870.db2.gz MLQDZLUSXYVJTQ-JOCHJYFZSA-N 2 2 395.547 3.833 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1OCc1cccnc1 ZINC000539850913 869885887 /nfs/dbraw/zinc/88/58/87/869885887.db2.gz MLQDZLUSXYVJTQ-JOCHJYFZSA-N 2 2 395.547 3.833 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1OCc1cccnc1 ZINC000539850913 869885909 /nfs/dbraw/zinc/88/59/09/869885909.db2.gz MLQDZLUSXYVJTQ-JOCHJYFZSA-N 2 2 395.547 3.833 20 0 GHADLP O=C(CCCC[NH+]1CCCC1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000920763338 882367080 /nfs/dbraw/zinc/36/70/80/882367080.db2.gz SGOODKLGRCOXOV-IBGZPJMESA-N 2 2 395.950 3.998 20 0 GHADLP CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000247992980 870258425 /nfs/dbraw/zinc/25/84/25/870258425.db2.gz JPKOQDGEHRWSQN-BJKOFHAPSA-N 2 2 391.559 3.875 20 0 GHADLP CN(C)C(=O)c1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000247992980 870258442 /nfs/dbraw/zinc/25/84/42/870258442.db2.gz JPKOQDGEHRWSQN-BJKOFHAPSA-N 2 2 391.559 3.875 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000247992980 870258459 /nfs/dbraw/zinc/25/84/59/870258459.db2.gz JPKOQDGEHRWSQN-BJKOFHAPSA-N 2 2 391.559 3.875 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000247992980 870258470 /nfs/dbraw/zinc/25/84/70/870258470.db2.gz JPKOQDGEHRWSQN-BJKOFHAPSA-N 2 2 391.559 3.875 20 0 GHADLP C[C@H](CCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[NH+]1CCCCC1 ZINC000248492908 870458300 /nfs/dbraw/zinc/45/83/00/870458300.db2.gz OWWKSYZUGPBCBC-QIJUGHKUSA-N 2 2 395.551 3.675 20 0 GHADLP COC(=O)c1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n(C)c1C ZINC000462942645 870471782 /nfs/dbraw/zinc/47/17/82/870471782.db2.gz GCAHYJONIDHASN-YLJYHZDGSA-N 2 2 383.536 3.605 20 0 GHADLP COC(=O)c1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n(C)c1C ZINC000462942645 870471796 /nfs/dbraw/zinc/47/17/96/870471796.db2.gz GCAHYJONIDHASN-YLJYHZDGSA-N 2 2 383.536 3.605 20 0 GHADLP COC(=O)c1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n(C)c1C ZINC000462942645 870471805 /nfs/dbraw/zinc/47/18/05/870471805.db2.gz GCAHYJONIDHASN-YLJYHZDGSA-N 2 2 383.536 3.605 20 0 GHADLP COC(=O)c1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n(C)c1C ZINC000462942645 870471811 /nfs/dbraw/zinc/47/18/11/870471811.db2.gz GCAHYJONIDHASN-YLJYHZDGSA-N 2 2 383.536 3.605 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000746417721 870634538 /nfs/dbraw/zinc/63/45/38/870634538.db2.gz QZMWSHXULQRLKZ-FQEVSTJZSA-N 2 2 396.535 3.513 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000746417721 870634548 /nfs/dbraw/zinc/63/45/48/870634548.db2.gz QZMWSHXULQRLKZ-FQEVSTJZSA-N 2 2 396.535 3.513 20 0 GHADLP COCCN(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000191348897 882433258 /nfs/dbraw/zinc/43/32/58/882433258.db2.gz PKFODRLLVJBPPS-OFNKIYASSA-N 2 2 396.579 3.649 20 0 GHADLP COCCN(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000191348897 882433264 /nfs/dbraw/zinc/43/32/64/882433264.db2.gz PKFODRLLVJBPPS-OFNKIYASSA-N 2 2 396.579 3.649 20 0 GHADLP COCCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000191348897 882433266 /nfs/dbraw/zinc/43/32/66/882433266.db2.gz PKFODRLLVJBPPS-OFNKIYASSA-N 2 2 396.579 3.649 20 0 GHADLP COCCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000191348897 882433270 /nfs/dbraw/zinc/43/32/70/882433270.db2.gz PKFODRLLVJBPPS-OFNKIYASSA-N 2 2 396.579 3.649 20 0 GHADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191348733 882433298 /nfs/dbraw/zinc/43/32/98/882433298.db2.gz PPUHWFLODUTBIZ-INIZCTEOSA-N 2 2 399.373 3.515 20 0 GHADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191348733 882433301 /nfs/dbraw/zinc/43/33/01/882433301.db2.gz PPUHWFLODUTBIZ-INIZCTEOSA-N 2 2 399.373 3.515 20 0 GHADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191348733 882433304 /nfs/dbraw/zinc/43/33/04/882433304.db2.gz PPUHWFLODUTBIZ-INIZCTEOSA-N 2 2 399.373 3.515 20 0 GHADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191348733 882433308 /nfs/dbraw/zinc/43/33/08/882433308.db2.gz PPUHWFLODUTBIZ-INIZCTEOSA-N 2 2 399.373 3.515 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2Cl)[C@@H](C)C1 ZINC000249509015 870851862 /nfs/dbraw/zinc/85/18/62/870851862.db2.gz ZIZAMRJKCDNIIT-LNLFQRSKSA-N 2 2 395.975 3.702 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2Cl)[C@@H](C)C1 ZINC000249509015 870851868 /nfs/dbraw/zinc/85/18/68/870851868.db2.gz ZIZAMRJKCDNIIT-LNLFQRSKSA-N 2 2 395.975 3.702 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H](CN2CCOCC2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463148007 871017041 /nfs/dbraw/zinc/01/70/41/871017041.db2.gz WKQPGSACYUAGSY-IEZKXTBUSA-N 2 2 393.575 3.703 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H](CN2CCOCC2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463148007 871017058 /nfs/dbraw/zinc/01/70/58/871017058.db2.gz WKQPGSACYUAGSY-IEZKXTBUSA-N 2 2 393.575 3.703 20 0 GHADLP OC[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1C(F)(F)F ZINC000539065840 871239260 /nfs/dbraw/zinc/23/92/60/871239260.db2.gz KVQLNEYRTSHSPZ-INIZCTEOSA-N 2 2 393.453 3.510 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000470001741 871375038 /nfs/dbraw/zinc/37/50/38/871375038.db2.gz YLUQAEWITRRQGO-JJTKIYQPSA-N 2 2 389.341 3.658 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000470001741 871375053 /nfs/dbraw/zinc/37/50/53/871375053.db2.gz YLUQAEWITRRQGO-JJTKIYQPSA-N 2 2 389.341 3.658 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000539198746 871486018 /nfs/dbraw/zinc/48/60/18/871486018.db2.gz PYWNFLBKUHOHMT-UHFFFAOYSA-N 2 2 399.535 3.977 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000539198746 871486028 /nfs/dbraw/zinc/48/60/28/871486028.db2.gz PYWNFLBKUHOHMT-UHFFFAOYSA-N 2 2 399.535 3.977 20 0 GHADLP CN(C)C(=O)O[C@H]1CC[N@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001194541602 871780815 /nfs/dbraw/zinc/78/08/15/871780815.db2.gz JLVXSJMNPNEYDI-GOTSBHOMSA-N 2 2 395.547 3.675 20 0 GHADLP CN(C)C(=O)O[C@H]1CC[N@@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001194541602 871780823 /nfs/dbraw/zinc/78/08/23/871780823.db2.gz JLVXSJMNPNEYDI-GOTSBHOMSA-N 2 2 395.547 3.675 20 0 GHADLP CN(C)C(=O)O[C@H]1CC[NH+](C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001194541602 871780827 /nfs/dbraw/zinc/78/08/27/871780827.db2.gz JLVXSJMNPNEYDI-GOTSBHOMSA-N 2 2 395.547 3.675 20 0 GHADLP CN(C)C(=O)O[C@H]1CC[NH+](C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001194541602 871780833 /nfs/dbraw/zinc/78/08/33/871780833.db2.gz JLVXSJMNPNEYDI-GOTSBHOMSA-N 2 2 395.547 3.675 20 0 GHADLP CCOC(=O)N1CCC[C@@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001169713823 871803180 /nfs/dbraw/zinc/80/31/80/871803180.db2.gz QVVMTSJWJYKTCZ-HXUWFJFHSA-N 2 2 391.531 3.733 20 0 GHADLP CCOC(=O)N1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001169713823 871803204 /nfs/dbraw/zinc/80/32/04/871803204.db2.gz QVVMTSJWJYKTCZ-HXUWFJFHSA-N 2 2 391.531 3.733 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000312141522 871824888 /nfs/dbraw/zinc/82/48/88/871824888.db2.gz XBHBMLSZBSNUHA-CEXWTWQISA-N 2 2 376.545 3.821 20 0 GHADLP CN(CCC[N@H+](C)Cc1nc2c(s1)C(C)(C)CC(C)(C)C2)CC[NH+](C)C ZINC001194883600 872007606 /nfs/dbraw/zinc/00/76/06/872007606.db2.gz QRJBZWNWFXATBT-UHFFFAOYSA-N 2 2 380.646 3.708 20 0 GHADLP CN(CCC[N@@H+](C)Cc1nc2c(s1)C(C)(C)CC(C)(C)C2)CC[NH+](C)C ZINC001194883600 872007617 /nfs/dbraw/zinc/00/76/17/872007617.db2.gz QRJBZWNWFXATBT-UHFFFAOYSA-N 2 2 380.646 3.708 20 0 GHADLP CCC[N@@H+]1CCc2c(N)sc(NC(=O)c3cccc(-c4c[nH+]cn4C)c3)c2C1 ZINC001194888416 872040025 /nfs/dbraw/zinc/04/00/25/872040025.db2.gz ZMZCYQYFGQROLF-UHFFFAOYSA-N 2 2 395.532 3.751 20 0 GHADLP CCC[N@H+]1CCc2c(N)sc(NC(=O)c3cccc(-c4c[nH+]cn4C)c3)c2C1 ZINC001194888416 872040045 /nfs/dbraw/zinc/04/00/45/872040045.db2.gz ZMZCYQYFGQROLF-UHFFFAOYSA-N 2 2 395.532 3.751 20 0 GHADLP C[NH+](C)CCCCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000552118780 872047557 /nfs/dbraw/zinc/04/75/57/872047557.db2.gz WMAUHQWAOIOWSZ-UHFFFAOYSA-N 2 2 390.531 3.947 20 0 GHADLP CN(c1ccccc1C[N@@H+]1CCO[C@H](c2ccsc2)C1)C1CC[NH+](C)CC1 ZINC000093768443 872398452 /nfs/dbraw/zinc/39/84/52/872398452.db2.gz XHWVKXLCOZFHOW-QFIPXVFZSA-N 2 2 385.577 3.852 20 0 GHADLP CN(c1ccccc1C[N@H+]1CCO[C@H](c2ccsc2)C1)C1CC[NH+](C)CC1 ZINC000093768443 872398475 /nfs/dbraw/zinc/39/84/75/872398475.db2.gz XHWVKXLCOZFHOW-QFIPXVFZSA-N 2 2 385.577 3.852 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000619395360 872595680 /nfs/dbraw/zinc/59/56/80/872595680.db2.gz VLEKSDFOIPOAGE-UHFFFAOYSA-N 2 2 395.551 3.670 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000619395360 872595687 /nfs/dbraw/zinc/59/56/87/872595687.db2.gz VLEKSDFOIPOAGE-UHFFFAOYSA-N 2 2 395.551 3.670 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)cc(C(F)(F)F)c3)C2)CC1 ZINC000527116895 872698196 /nfs/dbraw/zinc/69/81/96/872698196.db2.gz QJFSIRUUKCMNBK-SFHVURJKSA-N 2 2 389.893 3.959 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)cc(C(F)(F)F)c3)C2)CC1 ZINC000527116895 872698207 /nfs/dbraw/zinc/69/82/07/872698207.db2.gz QJFSIRUUKCMNBK-SFHVURJKSA-N 2 2 389.893 3.959 20 0 GHADLP CCCC[NH+]1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000151407259 872829207 /nfs/dbraw/zinc/82/92/07/872829207.db2.gz WUCXSTOYXRCGRX-FGZHOGPDSA-N 2 2 395.551 3.675 20 0 GHADLP Clc1ccc(Br)cc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000767917876 872936696 /nfs/dbraw/zinc/93/66/96/872936696.db2.gz WVLHIVVJLOBFBX-MRXNPFEDSA-N 2 2 387.749 3.836 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541191887 873088980 /nfs/dbraw/zinc/08/89/80/873088980.db2.gz OZMZDAINXYMNAW-HXUWFJFHSA-N 2 2 389.588 3.740 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541191887 873088996 /nfs/dbraw/zinc/08/89/96/873088996.db2.gz OZMZDAINXYMNAW-HXUWFJFHSA-N 2 2 389.588 3.740 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541202410 873127839 /nfs/dbraw/zinc/12/78/39/873127839.db2.gz IMSYHHJYCSOYDO-HNNXBMFYSA-N 2 2 376.451 3.681 20 0 GHADLP Fc1cc(Br)cnc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000527632930 873383048 /nfs/dbraw/zinc/38/30/48/873383048.db2.gz BJILNODTGJCNGD-UHFFFAOYSA-N 2 2 378.289 3.869 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cs2)cn1 ZINC000527657792 873453840 /nfs/dbraw/zinc/45/38/40/873453840.db2.gz ONNAXULOHYMCSO-VCSGRIEYSA-N 2 2 393.560 3.829 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cs2)cn1 ZINC000527657792 873453847 /nfs/dbraw/zinc/45/38/47/873453847.db2.gz ONNAXULOHYMCSO-VCSGRIEYSA-N 2 2 393.560 3.829 20 0 GHADLP Cc1cc(C)c(CCNC(=O)C[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c(C)c1 ZINC001196935433 873486742 /nfs/dbraw/zinc/48/67/42/873486742.db2.gz IYCKPEQBXFHHAL-HSZRJFAPSA-N 2 2 399.623 3.857 20 0 GHADLP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c(C)c1 ZINC001196935433 873486745 /nfs/dbraw/zinc/48/67/45/873486745.db2.gz IYCKPEQBXFHHAL-HSZRJFAPSA-N 2 2 399.623 3.857 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NC3CC(OCc4ccccc4)C3)[nH+]c2)CC1 ZINC000494644292 882752722 /nfs/dbraw/zinc/75/27/22/882752722.db2.gz AFVUYAKOYBRQNS-UHFFFAOYSA-N 2 2 380.536 3.772 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1OCC(F)(F)F ZINC000537648450 882772137 /nfs/dbraw/zinc/77/21/37/882772137.db2.gz SLECHINWHXCDBC-KRWDZBQOSA-N 2 2 386.458 3.800 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1OCC(F)(F)F ZINC000537648450 882772170 /nfs/dbraw/zinc/77/21/70/882772170.db2.gz SLECHINWHXCDBC-KRWDZBQOSA-N 2 2 386.458 3.800 20 0 GHADLP COc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1OCC(F)(F)F ZINC000537648450 882772181 /nfs/dbraw/zinc/77/21/81/882772181.db2.gz SLECHINWHXCDBC-KRWDZBQOSA-N 2 2 386.458 3.800 20 0 GHADLP COc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1OCC(F)(F)F ZINC000537648450 882772192 /nfs/dbraw/zinc/77/21/92/882772192.db2.gz SLECHINWHXCDBC-KRWDZBQOSA-N 2 2 386.458 3.800 20 0 GHADLP C[C@H](C[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)NC(=O)OC(C)(C)C ZINC000769683753 874206799 /nfs/dbraw/zinc/20/67/99/874206799.db2.gz AGHKKEJGTZNIQB-YQVWRLOYSA-N 2 2 386.540 3.985 20 0 GHADLP CC(C)c1cc(NCCSCc2csc(C[NH+](C)C)n2)nc(N(C)C)[nH+]1 ZINC001168106631 874360299 /nfs/dbraw/zinc/36/02/99/874360299.db2.gz GHAXELCGQWDOEY-UHFFFAOYSA-N 2 2 394.614 3.529 20 0 GHADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000449078247 874459603 /nfs/dbraw/zinc/45/96/03/874459603.db2.gz LIKCPMGUKSZYMJ-HXUWFJFHSA-N 3 2 378.564 3.736 20 0 GHADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cccnc2OCC(F)F)CC1 ZINC000449213509 874594218 /nfs/dbraw/zinc/59/42/18/874594218.db2.gz WNFSPHAPRWDATG-QGZVFWFLSA-N 2 2 389.490 3.911 20 0 GHADLP CCC(CC)(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000464857256 874608413 /nfs/dbraw/zinc/60/84/13/874608413.db2.gz PCTIGTQUKVXNFP-UHFFFAOYSA-N 2 2 385.596 3.811 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000770349116 874634961 /nfs/dbraw/zinc/63/49/61/874634961.db2.gz BPVPLGGUDLFGPL-YLJYHZDGSA-N 2 2 390.934 3.948 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000770349116 874634966 /nfs/dbraw/zinc/63/49/66/874634966.db2.gz BPVPLGGUDLFGPL-YLJYHZDGSA-N 2 2 390.934 3.948 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000770349116 874634973 /nfs/dbraw/zinc/63/49/73/874634973.db2.gz BPVPLGGUDLFGPL-YLJYHZDGSA-N 2 2 390.934 3.948 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000770349116 874634976 /nfs/dbraw/zinc/63/49/76/874634976.db2.gz BPVPLGGUDLFGPL-YLJYHZDGSA-N 2 2 390.934 3.948 20 0 GHADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464854280 874643801 /nfs/dbraw/zinc/64/38/01/874643801.db2.gz SGXHAGGWZLQSBS-NFBKMPQASA-N 2 2 383.580 3.836 20 0 GHADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464854280 874643811 /nfs/dbraw/zinc/64/38/11/874643811.db2.gz SGXHAGGWZLQSBS-NFBKMPQASA-N 2 2 383.580 3.836 20 0 GHADLP C[C@H](C(=O)NCCC1=CCCCC1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464854280 874643818 /nfs/dbraw/zinc/64/38/18/874643818.db2.gz SGXHAGGWZLQSBS-NFBKMPQASA-N 2 2 383.580 3.836 20 0 GHADLP C[C@H](C(=O)NCCC1=CCCCC1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464854280 874643828 /nfs/dbraw/zinc/64/38/28/874643828.db2.gz SGXHAGGWZLQSBS-NFBKMPQASA-N 2 2 383.580 3.836 20 0 GHADLP COCO[C@H](C)c1cc(F)c(C[NH2+][C@H](C)CC[NH+](C)C)cc1Br ZINC000858116149 882857590 /nfs/dbraw/zinc/85/75/90/882857590.db2.gz PLLNTELNYTYKGU-CHWSQXEVSA-N 2 2 391.325 3.700 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3c(Cl)nc(Cl)n3C)cc2)C[C@@H](C)O1 ZINC001199239139 874867940 /nfs/dbraw/zinc/86/79/40/874867940.db2.gz ZMGPOQVKHJDYHM-ZIAGYGMSSA-N 2 2 397.350 3.626 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000542167742 875070441 /nfs/dbraw/zinc/07/04/41/875070441.db2.gz BZHVBEKQOQDXAB-QFIPXVFZSA-N 2 2 382.552 3.985 20 0 GHADLP COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000542213039 875161973 /nfs/dbraw/zinc/16/19/73/875161973.db2.gz VIXYPUZWDZKRKM-OAHLLOKOSA-N 2 2 378.314 3.993 20 0 GHADLP COc1cc(Br)ccc1CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000542213039 875161977 /nfs/dbraw/zinc/16/19/77/875161977.db2.gz VIXYPUZWDZKRKM-OAHLLOKOSA-N 2 2 378.314 3.993 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H]3CC[NH+]3C3CCCC3)n2)C1 ZINC000528879037 875207586 /nfs/dbraw/zinc/20/75/86/875207586.db2.gz VIJJRXFEULGFAA-MAUKXSAKSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H]3CC[NH+]3C3CCCC3)n2)C1 ZINC000528879037 875207599 /nfs/dbraw/zinc/20/75/99/875207599.db2.gz VIJJRXFEULGFAA-MAUKXSAKSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)n2)C1 ZINC000528879037 875207612 /nfs/dbraw/zinc/20/76/12/875207612.db2.gz VIJJRXFEULGFAA-MAUKXSAKSA-N 2 2 391.585 3.513 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccsc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000528895373 875232852 /nfs/dbraw/zinc/23/28/52/875232852.db2.gz NWPKACHLLWYHDJ-DOIPELPJSA-N 2 2 389.609 3.647 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccsc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000528895373 875232863 /nfs/dbraw/zinc/23/28/63/875232863.db2.gz NWPKACHLLWYHDJ-DOIPELPJSA-N 2 2 389.609 3.647 20 0 GHADLP CCN(C(=O)Nc1ccc(C)[nH+]c1N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000771757632 875442670 /nfs/dbraw/zinc/44/26/70/875442670.db2.gz VIESPXJCXCMJJC-LJQANCHMSA-N 2 2 381.524 3.584 20 0 GHADLP CCN(C(=O)Nc1ccc(C)[nH+]c1N(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000771757632 875442677 /nfs/dbraw/zinc/44/26/77/875442677.db2.gz VIESPXJCXCMJJC-LJQANCHMSA-N 2 2 381.524 3.584 20 0 GHADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000529033722 875495111 /nfs/dbraw/zinc/49/51/11/875495111.db2.gz BRQDIKHYELCHKF-LJQANCHMSA-N 2 2 391.519 3.740 20 0 GHADLP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000529033722 875495123 /nfs/dbraw/zinc/49/51/23/875495123.db2.gz BRQDIKHYELCHKF-LJQANCHMSA-N 2 2 391.519 3.740 20 0 GHADLP Fc1ccc([C@@H]2CC[C@@H]([NH2+]Cc3ccc(OCC[NH+]4CCOCC4)cc3)C2)cc1 ZINC001202258897 876073830 /nfs/dbraw/zinc/07/38/30/876073830.db2.gz KFYMDMAQIGHLKP-FYYLOGMGSA-N 2 2 398.522 3.963 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@@H](CC(C)(C)C)OC1=O ZINC000785506025 876079040 /nfs/dbraw/zinc/07/90/40/876079040.db2.gz JLEBTRNXEYQWRG-LJQANCHMSA-N 2 2 388.556 3.834 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@@H](CC(C)(C)C)OC1=O ZINC000785506025 876079056 /nfs/dbraw/zinc/07/90/56/876079056.db2.gz JLEBTRNXEYQWRG-LJQANCHMSA-N 2 2 388.556 3.834 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@@H+]1C ZINC000529526902 876290840 /nfs/dbraw/zinc/29/08/40/876290840.db2.gz ANUPFQWVTWGPOG-YPMHNXCESA-N 2 2 383.359 3.815 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@H+]1C ZINC000529526902 876290851 /nfs/dbraw/zinc/29/08/51/876290851.db2.gz ANUPFQWVTWGPOG-YPMHNXCESA-N 2 2 383.359 3.815 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(Br)s2)CC[NH+]1C ZINC000529526902 876290864 /nfs/dbraw/zinc/29/08/64/876290864.db2.gz ANUPFQWVTWGPOG-YPMHNXCESA-N 2 2 383.359 3.815 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc(Br)s2)CC[NH+]1C ZINC000529526902 876290876 /nfs/dbraw/zinc/29/08/76/876290876.db2.gz ANUPFQWVTWGPOG-YPMHNXCESA-N 2 2 383.359 3.815 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C2CC2)cn1 ZINC000858341864 883036292 /nfs/dbraw/zinc/03/62/92/883036292.db2.gz MPHZUXKPEIWWLD-HSZRJFAPSA-N 2 2 380.536 3.866 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000192927204 883048660 /nfs/dbraw/zinc/04/86/60/883048660.db2.gz NUWVZBIQDBZHSN-XMMPIXPASA-N 3 2 377.576 3.805 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000192927204 883048676 /nfs/dbraw/zinc/04/86/76/883048676.db2.gz NUWVZBIQDBZHSN-XMMPIXPASA-N 3 2 377.576 3.805 20 0 GHADLP Cc1cc2cc(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)oc2cc1C ZINC000174044223 876798986 /nfs/dbraw/zinc/79/89/86/876798986.db2.gz RBQAPZMGWOBSSE-UHFFFAOYSA-N 2 2 383.536 3.730 20 0 GHADLP CC(C)c1ccc(CCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460506049 883077451 /nfs/dbraw/zinc/07/74/51/883077451.db2.gz ZIKBZFYYBVMBGV-UHFFFAOYSA-N 2 2 385.596 3.809 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(N2CCNC2=O)cc1 ZINC000786834676 876953894 /nfs/dbraw/zinc/95/38/94/876953894.db2.gz GOTPXVXZOSNFPO-SJORKVTESA-N 2 2 375.476 3.814 20 0 GHADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000786836865 876955060 /nfs/dbraw/zinc/95/50/60/876955060.db2.gz PMTNPLMXLLZJCS-LAUBAEHRSA-N 2 2 389.503 3.584 20 0 GHADLP C[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174398338 877007468 /nfs/dbraw/zinc/00/74/68/877007468.db2.gz USQACCXYJMBHRR-HSZRJFAPSA-N 2 2 391.559 3.632 20 0 GHADLP C[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174398338 877007481 /nfs/dbraw/zinc/00/74/81/877007481.db2.gz USQACCXYJMBHRR-HSZRJFAPSA-N 2 2 391.559 3.632 20 0 GHADLP C[NH+](CC(=O)N(Cc1ccccc1)C1CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174398338 877007497 /nfs/dbraw/zinc/00/74/97/877007497.db2.gz USQACCXYJMBHRR-HSZRJFAPSA-N 2 2 391.559 3.632 20 0 GHADLP C[NH+](CC(=O)N(Cc1ccccc1)C1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174398338 877007509 /nfs/dbraw/zinc/00/75/09/877007509.db2.gz USQACCXYJMBHRR-HSZRJFAPSA-N 2 2 391.559 3.632 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)[C@H](C)C1 ZINC000174777517 877242550 /nfs/dbraw/zinc/24/25/50/877242550.db2.gz PHQQWQSYTQUJAR-RFWXGWTQSA-N 2 2 399.604 3.924 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)[C@H](C)C1 ZINC000174777517 877242566 /nfs/dbraw/zinc/24/25/66/877242566.db2.gz PHQQWQSYTQUJAR-RFWXGWTQSA-N 2 2 399.604 3.924 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)[C@H](C)C1 ZINC000174777517 877242586 /nfs/dbraw/zinc/24/25/86/877242586.db2.gz PHQQWQSYTQUJAR-RFWXGWTQSA-N 2 2 399.604 3.924 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)[C@H](C)C1 ZINC000174777517 877242606 /nfs/dbraw/zinc/24/26/06/877242606.db2.gz PHQQWQSYTQUJAR-RFWXGWTQSA-N 2 2 399.604 3.924 20 0 GHADLP CC(C)[C@@H](C[NH2+][C@H](C)c1ncc(C(F)(F)F)cc1Cl)N1CC[NH+](C)CC1 ZINC000924630330 877262110 /nfs/dbraw/zinc/26/21/10/877262110.db2.gz BFRRKCACKZVZCR-CZUORRHYSA-N 2 2 392.897 3.676 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000787256173 877271332 /nfs/dbraw/zinc/27/13/32/877271332.db2.gz ZCCRFNDAZSTLGH-CQSZACIVSA-N 2 2 379.854 3.687 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000787256173 877271343 /nfs/dbraw/zinc/27/13/43/877271343.db2.gz ZCCRFNDAZSTLGH-CQSZACIVSA-N 2 2 379.854 3.687 20 0 GHADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000477340942 877463145 /nfs/dbraw/zinc/46/31/45/877463145.db2.gz VTCRPVRTHMYLKP-GOSISDBHSA-N 2 2 390.572 3.749 20 0 GHADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000477340942 877463152 /nfs/dbraw/zinc/46/31/52/877463152.db2.gz VTCRPVRTHMYLKP-GOSISDBHSA-N 2 2 390.572 3.749 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788251100 877957539 /nfs/dbraw/zinc/95/75/39/877957539.db2.gz UOAJDURDJHIEIN-OALUTQOASA-N 2 2 397.604 3.691 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788251102 877958525 /nfs/dbraw/zinc/95/85/25/877958525.db2.gz UOAJDURDJHIEIN-RTBURBONSA-N 2 2 397.604 3.691 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)nc1 ZINC000852017790 878034909 /nfs/dbraw/zinc/03/49/09/878034909.db2.gz FVVIUSZXTBMRGE-SFHVURJKSA-N 2 2 386.927 3.564 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)nc1 ZINC000852017790 878034929 /nfs/dbraw/zinc/03/49/29/878034929.db2.gz FVVIUSZXTBMRGE-SFHVURJKSA-N 2 2 386.927 3.564 20 0 GHADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788608309 878203369 /nfs/dbraw/zinc/20/33/69/878203369.db2.gz MWAVYXMXPHVTPP-SJORKVTESA-N 2 2 375.557 3.961 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H](C2CC[NH+](CCCn3cc[nH+]c3)CC2)C1 ZINC000852296698 878207534 /nfs/dbraw/zinc/20/75/34/878207534.db2.gz QGHAJLRDGWFHAG-LJQANCHMSA-N 2 2 376.545 3.632 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000788638744 878230776 /nfs/dbraw/zinc/23/07/76/878230776.db2.gz JCYLPEBIUVJVEO-YLJYHZDGSA-N 2 2 384.524 3.998 20 0 GHADLP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000176494525 878284099 /nfs/dbraw/zinc/28/40/99/878284099.db2.gz RMMXWDFIQABZKZ-SFHVURJKSA-N 2 2 383.536 3.603 20 0 GHADLP CN(C(=O)Cc1cccc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245709253 878447213 /nfs/dbraw/zinc/44/72/13/878447213.db2.gz MZOLSMDGLAEOQQ-LEWJYISDSA-N 2 2 391.987 3.678 20 0 GHADLP CN(C(=O)Cc1cccc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245709253 878447218 /nfs/dbraw/zinc/44/72/18/878447218.db2.gz MZOLSMDGLAEOQQ-LEWJYISDSA-N 2 2 391.987 3.678 20 0 GHADLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1nc2c(s1)CCCC2 ZINC000537882526 878453486 /nfs/dbraw/zinc/45/34/86/878453486.db2.gz KYVXLKCFTVINTF-YLJYHZDGSA-N 2 2 384.593 3.661 20 0 GHADLP CN(C(=O)c1cc(F)c(F)cc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245737854 878503816 /nfs/dbraw/zinc/50/38/16/878503816.db2.gz UDXOIXUPEQTMCH-WOJBJXKFSA-N 2 2 397.485 3.513 20 0 GHADLP CN(C(=O)c1cc(F)c(F)cc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245737854 878503832 /nfs/dbraw/zinc/50/38/32/878503832.db2.gz UDXOIXUPEQTMCH-WOJBJXKFSA-N 2 2 397.485 3.513 20 0 GHADLP Cc1oc(C)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000670813386 878741422 /nfs/dbraw/zinc/74/14/22/878741422.db2.gz BLUTVZHIFVLIJW-UXHICEINSA-N 2 2 375.557 3.614 20 0 GHADLP Cc1oc(C)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000670813386 878741434 /nfs/dbraw/zinc/74/14/34/878741434.db2.gz BLUTVZHIFVLIJW-UXHICEINSA-N 2 2 375.557 3.614 20 0 GHADLP CC(C)[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000538101282 878810328 /nfs/dbraw/zinc/81/03/28/878810328.db2.gz ULIBMCBSPWOOND-OALUTQOASA-N 2 2 399.501 3.935 20 0 GHADLP CC(C)[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000538101282 878810333 /nfs/dbraw/zinc/81/03/33/878810333.db2.gz ULIBMCBSPWOOND-OALUTQOASA-N 2 2 399.501 3.935 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)ccc2[nH+]1 ZINC000530949372 878823839 /nfs/dbraw/zinc/82/38/39/878823839.db2.gz GTAVHILISVNJLP-PKOBYXMFSA-N 2 2 377.492 3.817 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)ccc2[nH+]1 ZINC000530949372 878823859 /nfs/dbraw/zinc/82/38/59/878823859.db2.gz GTAVHILISVNJLP-PKOBYXMFSA-N 2 2 377.492 3.817 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000460987193 878936432 /nfs/dbraw/zinc/93/64/32/878936432.db2.gz KPAQQUOXEIASSH-MOPGFXCFSA-N 2 2 398.378 3.581 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000460987193 878936445 /nfs/dbraw/zinc/93/64/45/878936445.db2.gz KPAQQUOXEIASSH-MOPGFXCFSA-N 2 2 398.378 3.581 20 0 GHADLP O=C1[C@H](C2CCCCC2)CCN1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000853511187 879072361 /nfs/dbraw/zinc/07/23/61/879072361.db2.gz NLLLWDXBXDBUMI-NRFANRHFSA-N 2 2 384.568 3.785 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)NCCCCNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000531079468 879084120 /nfs/dbraw/zinc/08/41/20/879084120.db2.gz LFCWLTQRGGEMCA-SFHVURJKSA-N 2 2 389.931 3.529 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000531188811 879280278 /nfs/dbraw/zinc/28/02/78/879280278.db2.gz HUPPXQMDOWNWAN-HXUWFJFHSA-N 2 2 380.517 3.556 20 0 GHADLP O[C@]1(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000538414508 879422857 /nfs/dbraw/zinc/42/28/57/879422857.db2.gz IGOYKCZZVGZTOF-IBGZPJMESA-N 2 2 382.401 3.571 20 0 GHADLP O[C@]1(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000538414508 879422864 /nfs/dbraw/zinc/42/28/64/879422864.db2.gz IGOYKCZZVGZTOF-IBGZPJMESA-N 2 2 382.401 3.571 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](CCc2ccccc2)c2ccccn2)CC1 ZINC001183345462 912461447 /nfs/dbraw/zinc/46/14/47/912461447.db2.gz JPYDUSKYTHNLJN-HSZRJFAPSA-N 2 2 395.547 3.763 20 0 GHADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Cl)cc1 ZINC000493917145 879716894 /nfs/dbraw/zinc/71/68/94/879716894.db2.gz PHRSVCLHZMLKSV-FCEUIQTBSA-N 2 2 388.939 3.500 20 0 GHADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Cl)cc1 ZINC000493917145 879716902 /nfs/dbraw/zinc/71/69/02/879716902.db2.gz PHRSVCLHZMLKSV-FCEUIQTBSA-N 2 2 388.939 3.500 20 0 GHADLP CCCN(CC[NH+](CC)CC)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000461413352 879806564 /nfs/dbraw/zinc/80/65/64/879806564.db2.gz BJVHTIJITIVYBR-KRWDZBQOSA-N 2 2 395.617 3.961 20 0 GHADLP CCCN(CC[NH+](CC)CC)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000461413352 879806581 /nfs/dbraw/zinc/80/65/81/879806581.db2.gz BJVHTIJITIVYBR-KRWDZBQOSA-N 2 2 395.617 3.961 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2ccccc2)cc1 ZINC000494074974 879898514 /nfs/dbraw/zinc/89/85/14/879898514.db2.gz KATRYIYCCLPFFL-KMDXXIMOSA-N 2 2 380.532 3.752 20 0 GHADLP CN(C(=O)Nc1cccc(F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000247188799 879939121 /nfs/dbraw/zinc/93/91/21/879939121.db2.gz YGMZYBWAIAJAOO-VQTJNVASSA-N 2 2 376.520 3.627 20 0 GHADLP CN(C(=O)Nc1cccc(F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247188799 879939126 /nfs/dbraw/zinc/93/91/26/879939126.db2.gz YGMZYBWAIAJAOO-VQTJNVASSA-N 2 2 376.520 3.627 20 0 GHADLP CN(C(=O)Nc1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000247188807 879939341 /nfs/dbraw/zinc/93/93/41/879939341.db2.gz YGMZYBWAIAJAOO-WOJBJXKFSA-N 2 2 376.520 3.627 20 0 GHADLP CN(C(=O)Nc1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247188807 879939346 /nfs/dbraw/zinc/93/93/46/879939346.db2.gz YGMZYBWAIAJAOO-WOJBJXKFSA-N 2 2 376.520 3.627 20 0 GHADLP C[C@@H](O)[C@@](C)(C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)Cc1ccccc1 ZINC000790726269 879964470 /nfs/dbraw/zinc/96/44/70/879964470.db2.gz QDRTVODVDSQZPE-CJFMBICVSA-N 2 2 395.591 3.941 20 0 GHADLP CCSc1cccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000185492320 880598396 /nfs/dbraw/zinc/59/83/96/880598396.db2.gz CMLRIVXOJUXVTB-UHFFFAOYSA-N 2 2 386.561 3.799 20 0 GHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000113605394 880713061 /nfs/dbraw/zinc/71/30/61/880713061.db2.gz HXNBNQPFTJFPOQ-GOSISDBHSA-N 2 2 391.519 3.801 20 0 GHADLP C[C@@H]1CC[C@@H]([N@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C2CC[NH+](C)CC2)C1 ZINC001170160940 880786795 /nfs/dbraw/zinc/78/67/95/880786795.db2.gz KTIIPFACQJAFHK-YLJYHZDGSA-N 2 2 379.589 3.971 20 0 GHADLP C[C@@H]1CC[C@@H]([N@@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C2CC[NH+](C)CC2)C1 ZINC001170160940 880786800 /nfs/dbraw/zinc/78/68/00/880786800.db2.gz KTIIPFACQJAFHK-YLJYHZDGSA-N 2 2 379.589 3.971 20 0 GHADLP OC1(C(F)(F)F)CCC([NH2+]CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000531970654 880845961 /nfs/dbraw/zinc/84/59/61/880845961.db2.gz BRHMSEHHGGMUQA-UHFFFAOYSA-N 2 2 380.520 3.564 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000531975159 880855202 /nfs/dbraw/zinc/85/52/02/880855202.db2.gz QUFYWCUEPANTLH-MRXNPFEDSA-N 2 2 395.975 3.845 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)[C@H](c3ccccc3)[NH+](C)C)cn2c1 ZINC000186495872 880901302 /nfs/dbraw/zinc/90/13/02/880901302.db2.gz OMRLXOJIRUACLM-VGOFRKELSA-N 2 2 396.560 3.684 20 0 GHADLP Cc1cc(Br)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000453562535 881011677 /nfs/dbraw/zinc/01/16/77/881011677.db2.gz BYSQMGQTLCVVQL-CVEARBPZSA-N 2 2 387.387 3.677 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000792282149 881011865 /nfs/dbraw/zinc/01/18/65/881011865.db2.gz ODBLWAIDERKEGY-IEBWSBKVSA-N 2 2 384.524 3.916 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000792282149 881011882 /nfs/dbraw/zinc/01/18/82/881011882.db2.gz ODBLWAIDERKEGY-IEBWSBKVSA-N 2 2 384.524 3.916 20 0 GHADLP Cc1cc(Br)c(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)s1 ZINC000453576537 881080656 /nfs/dbraw/zinc/08/06/56/881080656.db2.gz VOBYRFLDVGIWSQ-UHFFFAOYSA-N 2 2 375.376 3.798 20 0 GHADLP CC[C@H]1C[C@@H]([NH2+][C@@H](c2ccc(OC)cc2)[C@@H]([NH3+])c2ccc(OC)cc2)CCO1 ZINC001170181199 881192222 /nfs/dbraw/zinc/19/22/22/881192222.db2.gz FXEHCRYCUNRDCV-ZZTDLJEGSA-N 2 2 384.520 3.992 20 0 GHADLP CC[C@H]1C[C@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)CCO1 ZINC001170190016 881200716 /nfs/dbraw/zinc/20/07/16/881200716.db2.gz DFNACWBOFCVYEA-HJNYFJLDSA-N 2 2 392.503 3.675 20 0 GHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000187477023 881208151 /nfs/dbraw/zinc/20/81/51/881208151.db2.gz PEWXMXRCSIUDHL-ILWGZMRPSA-N 2 2 397.567 3.632 20 0 GHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000187477023 881208167 /nfs/dbraw/zinc/20/81/67/881208167.db2.gz PEWXMXRCSIUDHL-ILWGZMRPSA-N 2 2 397.567 3.632 20 0 GHADLP C[C@H](Cc1ccccc1Cl)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001170248240 881296679 /nfs/dbraw/zinc/29/66/79/881296679.db2.gz NJBVYJQVQDWYJA-GOSISDBHSA-N 2 2 388.939 3.772 20 0 GHADLP COc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000643377009 912666062 /nfs/dbraw/zinc/66/60/62/912666062.db2.gz FMPGLFCDLCVNCG-OAQYLSRUSA-N 2 2 384.495 3.955 20 0 GHADLP C[NH+]1CCN(c2ncc(C[NH+](Cc3cccs3)Cc3cccs3)cn2)CC1 ZINC000120087293 881320403 /nfs/dbraw/zinc/32/04/03/881320403.db2.gz IOWMFFMBBQGNNG-UHFFFAOYSA-N 2 2 399.589 3.554 20 0 GHADLP COC(=O)CCC[C@@H]1CCC[C@@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)C1 ZINC000551141467 883376132 /nfs/dbraw/zinc/37/61/32/883376132.db2.gz GUXXTKCYOVAOAF-NLWGTHIKSA-N 2 2 388.556 3.536 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000551210852 883488744 /nfs/dbraw/zinc/48/87/44/883488744.db2.gz AQGGGLQVBJVNNI-ZIAGYGMSSA-N 2 2 393.329 3.591 20 0 GHADLP C[C@H](NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CC[NH+](C)CC1 ZINC000643472732 912716604 /nfs/dbraw/zinc/71/66/04/912716604.db2.gz NCKUMYGWYIQULJ-INIZCTEOSA-N 2 2 381.524 3.738 20 0 GHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@H]2C[NH+](C)C)n1 ZINC000477112789 883734379 /nfs/dbraw/zinc/73/43/79/883734379.db2.gz SIGMSCARLTTWQO-KRWDZBQOSA-N 2 2 395.576 3.950 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)C2 ZINC000475788801 883808697 /nfs/dbraw/zinc/80/86/97/883808697.db2.gz CDDFYYKHTHFHSM-RTBURBONSA-N 2 2 386.584 3.799 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)C2 ZINC000475788801 883808709 /nfs/dbraw/zinc/80/87/09/883808709.db2.gz CDDFYYKHTHFHSM-RTBURBONSA-N 2 2 386.584 3.799 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)CC2 ZINC000475788801 883808727 /nfs/dbraw/zinc/80/87/27/883808727.db2.gz CDDFYYKHTHFHSM-RTBURBONSA-N 2 2 386.584 3.799 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)CC2 ZINC000475788801 883808748 /nfs/dbraw/zinc/80/87/48/883808748.db2.gz CDDFYYKHTHFHSM-RTBURBONSA-N 2 2 386.584 3.799 20 0 GHADLP CC[NH+](CC)CCCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000194516713 883844009 /nfs/dbraw/zinc/84/40/09/883844009.db2.gz PHSYPKGCCKPZQQ-HNNXBMFYSA-N 2 2 379.549 3.853 20 0 GHADLP Cc1c[nH]c2c1cccc2[NH+]1C=CC(=NC(=O)C2CCC([C@@H](C)[NH3+])CC2)C=C1 ZINC001170496382 884285234 /nfs/dbraw/zinc/28/52/34/884285234.db2.gz ONKIKBBATBMSRC-WWDZGPRUSA-N 2 2 376.504 3.848 20 0 GHADLP OC[C@@H]1COc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000897948041 884524138 /nfs/dbraw/zinc/52/41/38/884524138.db2.gz HTZKMNACQIHLEV-TXTKFYIRSA-N 2 2 378.516 3.515 20 0 GHADLP OC[C@@H]1COc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000897948041 884524141 /nfs/dbraw/zinc/52/41/41/884524141.db2.gz HTZKMNACQIHLEV-TXTKFYIRSA-N 2 2 378.516 3.515 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000130347415 884568715 /nfs/dbraw/zinc/56/87/15/884568715.db2.gz PGAHHVWDTPJOBM-UHFFFAOYSA-N 2 2 378.476 3.944 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000130347415 884568730 /nfs/dbraw/zinc/56/87/30/884568730.db2.gz PGAHHVWDTPJOBM-UHFFFAOYSA-N 2 2 378.476 3.944 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000286738068 912874829 /nfs/dbraw/zinc/87/48/29/912874829.db2.gz YARINHQTYINMAR-UHFFFAOYSA-N 2 2 387.890 3.720 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)C2)cc1 ZINC000556500969 885128956 /nfs/dbraw/zinc/12/89/56/885128956.db2.gz QAFBKUJXHCAXGI-VWLOTQADSA-N 3 2 399.623 3.866 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)C2)cc1 ZINC000556500969 885128965 /nfs/dbraw/zinc/12/89/65/885128965.db2.gz QAFBKUJXHCAXGI-VWLOTQADSA-N 3 2 399.623 3.866 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000045490835 885224401 /nfs/dbraw/zinc/22/44/01/885224401.db2.gz POUNMRAMPOFWAA-UHFFFAOYSA-N 2 2 395.551 3.523 20 0 GHADLP FC(F)(F)Oc1cccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)c1 ZINC000655767826 885471761 /nfs/dbraw/zinc/47/17/61/885471761.db2.gz ZOQJNXZXZPQOAS-IEBWSBKVSA-N 2 2 384.442 3.879 20 0 GHADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](c2sccc2Br)C2CCCCC2)C1 ZINC000556573022 885536654 /nfs/dbraw/zinc/53/66/54/885536654.db2.gz MHJBGWCKQQJQMY-DOTOQJQBSA-N 2 2 387.387 3.788 20 0 GHADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](c2sccc2Br)C2CCCCC2)C1 ZINC000556573022 885536658 /nfs/dbraw/zinc/53/66/58/885536658.db2.gz MHJBGWCKQQJQMY-DOTOQJQBSA-N 2 2 387.387 3.788 20 0 GHADLP C[C@@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000303377099 885542746 /nfs/dbraw/zinc/54/27/46/885542746.db2.gz LQOAQWRCYXSJKQ-NRFANRHFSA-N 2 2 390.531 3.595 20 0 GHADLP C[C@@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000303377099 885542755 /nfs/dbraw/zinc/54/27/55/885542755.db2.gz LQOAQWRCYXSJKQ-NRFANRHFSA-N 2 2 390.531 3.595 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000532515535 885911325 /nfs/dbraw/zinc/91/13/25/885911325.db2.gz DVVCJGVPSZOYQG-PBHICJAKSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000532515535 885911338 /nfs/dbraw/zinc/91/13/38/885911338.db2.gz DVVCJGVPSZOYQG-PBHICJAKSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532550355 885994967 /nfs/dbraw/zinc/99/49/67/885994967.db2.gz JEJNCOZJHNKUJU-ZPMCFJSWSA-N 2 2 386.971 3.838 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532550355 885994971 /nfs/dbraw/zinc/99/49/71/885994971.db2.gz JEJNCOZJHNKUJU-ZPMCFJSWSA-N 2 2 386.971 3.838 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000532550355 885994972 /nfs/dbraw/zinc/99/49/72/885994972.db2.gz JEJNCOZJHNKUJU-ZPMCFJSWSA-N 2 2 386.971 3.838 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000532550355 885994973 /nfs/dbraw/zinc/99/49/73/885994973.db2.gz JEJNCOZJHNKUJU-ZPMCFJSWSA-N 2 2 386.971 3.838 20 0 GHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(O[C@@H]2CCOC2)c1 ZINC000120676442 886527599 /nfs/dbraw/zinc/52/75/99/886527599.db2.gz JQCPRUOLPYTVRE-WWPVKYPJSA-N 2 2 395.547 3.558 20 0 GHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(O[C@@H]2CCOC2)c1 ZINC000120676442 886527611 /nfs/dbraw/zinc/52/76/11/886527611.db2.gz JQCPRUOLPYTVRE-WWPVKYPJSA-N 2 2 395.547 3.558 20 0 GHADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000499065903 886533623 /nfs/dbraw/zinc/53/36/23/886533623.db2.gz VOQUXJQFHPKATG-UHFFFAOYSA-N 2 2 394.494 3.732 20 0 GHADLP CCOC(=O)COc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000119325505 886592214 /nfs/dbraw/zinc/59/22/14/886592214.db2.gz HSLBMYDICLGEGC-UHFFFAOYSA-N 2 2 396.531 3.725 20 0 GHADLP CCOC(=O)COc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000119325505 886592226 /nfs/dbraw/zinc/59/22/26/886592226.db2.gz HSLBMYDICLGEGC-UHFFFAOYSA-N 2 2 396.531 3.725 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000123737191 886666963 /nfs/dbraw/zinc/66/69/63/886666963.db2.gz BNZPPNCZUVAJAL-HXUWFJFHSA-N 2 2 376.504 3.849 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000123737191 886666977 /nfs/dbraw/zinc/66/69/77/886666977.db2.gz BNZPPNCZUVAJAL-HXUWFJFHSA-N 2 2 376.504 3.849 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000287062956 913072026 /nfs/dbraw/zinc/07/20/26/913072026.db2.gz AYVPIOMPQNMNAV-INIZCTEOSA-N 2 2 382.430 3.560 20 0 GHADLP Cc1ccc(F)c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000119497767 886738162 /nfs/dbraw/zinc/73/81/62/886738162.db2.gz DCEAWTWIOXKFDX-RTWAWAEBSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1ccc(F)c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000119497767 886738174 /nfs/dbraw/zinc/73/81/74/886738174.db2.gz DCEAWTWIOXKFDX-RTWAWAEBSA-N 2 2 390.547 3.935 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000057614473 886772563 /nfs/dbraw/zinc/77/25/63/886772563.db2.gz ROYLEHUSPVPDCQ-FQEVSTJZSA-N 2 2 396.535 3.513 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000057614473 886772569 /nfs/dbraw/zinc/77/25/69/886772569.db2.gz ROYLEHUSPVPDCQ-FQEVSTJZSA-N 2 2 396.535 3.513 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 ZINC000236594862 886869095 /nfs/dbraw/zinc/86/90/95/886869095.db2.gz IDMONFCFEPDPLL-VWLOTQADSA-N 2 2 377.576 3.948 20 0 GHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000236831839 886888766 /nfs/dbraw/zinc/88/87/66/886888766.db2.gz CKMKEMAVTJCBBL-UFYCRDLUSA-N 2 2 389.902 3.819 20 0 GHADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000236831839 886888774 /nfs/dbraw/zinc/88/87/74/886888774.db2.gz CKMKEMAVTJCBBL-UFYCRDLUSA-N 2 2 389.902 3.819 20 0 GHADLP COc1ccccc1N1CC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000119683607 887432757 /nfs/dbraw/zinc/43/27/57/887432757.db2.gz XLLQKBQLIWRLFB-HXUWFJFHSA-N 2 2 394.563 3.599 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000809620940 887587040 /nfs/dbraw/zinc/58/70/40/887587040.db2.gz RPLPREQDGDSQOF-UHFFFAOYSA-N 2 2 385.593 3.501 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cnc(C3OCCO3)s2)c(C)c1 ZINC000809628536 887628225 /nfs/dbraw/zinc/62/82/25/887628225.db2.gz YEGDMMODDSAXKB-SFHVURJKSA-N 2 2 384.505 3.533 20 0 GHADLP CN(CCC1CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1)C(=O)OC(C)(C)C ZINC000809636315 887639777 /nfs/dbraw/zinc/63/97/77/887639777.db2.gz UGUAPHIBDJWKPO-UHFFFAOYSA-N 2 2 396.601 3.674 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3sccc3-c3ccccc3)CC2)CC1 ZINC000050800890 887710207 /nfs/dbraw/zinc/71/02/07/887710207.db2.gz DSGBXVSCVPVVJR-UHFFFAOYSA-N 2 2 383.561 3.704 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739143 887774419 /nfs/dbraw/zinc/77/44/19/887774419.db2.gz YVIVZIYCVDLFIE-UHFFFAOYSA-N 2 2 383.927 3.923 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739143 887774434 /nfs/dbraw/zinc/77/44/34/887774434.db2.gz YVIVZIYCVDLFIE-UHFFFAOYSA-N 2 2 383.927 3.923 20 0 GHADLP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000810253304 888356558 /nfs/dbraw/zinc/35/65/58/888356558.db2.gz QMQDMEVWSYTGLS-ZACQAIPSSA-N 2 2 376.545 3.815 20 0 GHADLP C[C@@H]([NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000865524030 888407330 /nfs/dbraw/zinc/40/73/30/888407330.db2.gz HJVIJTHMZZXYHW-HZPDHXFCSA-N 2 2 389.544 3.566 20 0 GHADLP C[C@@H]([NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000865524030 888407336 /nfs/dbraw/zinc/40/73/36/888407336.db2.gz HJVIJTHMZZXYHW-HZPDHXFCSA-N 2 2 389.544 3.566 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001168512564 889338837 /nfs/dbraw/zinc/33/88/37/889338837.db2.gz KHKBXXLYWZIFGK-QFIPXVFZSA-N 2 2 397.482 3.809 20 0 GHADLP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000868183355 889338845 /nfs/dbraw/zinc/33/88/45/889338845.db2.gz GHWPRHYARWBJRH-LNRXMEIDSA-N 2 2 387.487 3.748 20 0 GHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000123664679 889360438 /nfs/dbraw/zinc/36/04/38/889360438.db2.gz WPOICVNPWAFWMT-JOCHJYFZSA-N 2 2 383.511 3.777 20 0 GHADLP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000124536214 889664225 /nfs/dbraw/zinc/66/42/25/889664225.db2.gz UIQORJGGMIYPJK-FQEVSTJZSA-N 2 2 394.563 3.816 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000124583092 889684328 /nfs/dbraw/zinc/68/43/28/889684328.db2.gz NLENQWWDMICERP-BULFRSBZSA-N 2 2 389.559 3.725 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000124583092 889684333 /nfs/dbraw/zinc/68/43/33/889684333.db2.gz NLENQWWDMICERP-BULFRSBZSA-N 2 2 389.559 3.725 20 0 GHADLP Cc1cc(F)ccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124672318 889719383 /nfs/dbraw/zinc/71/93/83/889719383.db2.gz JBKATYOCFUHUPR-LEWJYISDSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1cc(F)ccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124672318 889719386 /nfs/dbraw/zinc/71/93/86/889719386.db2.gz JBKATYOCFUHUPR-LEWJYISDSA-N 2 2 375.532 3.543 20 0 GHADLP CN(C(=O)c1cccc2[nH]ccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124858504 889794188 /nfs/dbraw/zinc/79/41/88/889794188.db2.gz HIKYSEBRZRXDFC-YADHBBJMSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1cccc2[nH]ccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124858504 889794193 /nfs/dbraw/zinc/79/41/93/889794193.db2.gz HIKYSEBRZRXDFC-YADHBBJMSA-N 2 2 382.552 3.577 20 0 GHADLP CC[NH+](CC)Cc1ccccc1Nc1cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c(C)n1 ZINC001211989090 890363912 /nfs/dbraw/zinc/36/39/12/890363912.db2.gz ITDDLRFETGJRST-IAGOWNOFSA-N 2 2 383.540 3.984 20 0 GHADLP CC[NH+](CC)Cc1ccccc1Nc1cc(N2C[C@@H](C)O[C@H](C)C2)nc(C)[nH+]1 ZINC001211989090 890363932 /nfs/dbraw/zinc/36/39/32/890363932.db2.gz ITDDLRFETGJRST-IAGOWNOFSA-N 2 2 383.540 3.984 20 0 GHADLP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(Cl)c1F ZINC000287630052 913456509 /nfs/dbraw/zinc/45/65/09/913456509.db2.gz KIDDDSLMMZMSAT-FXAWDEMLSA-N 2 2 392.902 3.523 20 0 GHADLP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(Cl)c1F ZINC000287630052 913456515 /nfs/dbraw/zinc/45/65/15/913456515.db2.gz KIDDDSLMMZMSAT-FXAWDEMLSA-N 2 2 392.902 3.523 20 0 GHADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)CCCO2 ZINC000126609125 890611943 /nfs/dbraw/zinc/61/19/43/890611943.db2.gz HIQROCYMESDBBV-JOCHJYFZSA-N 2 2 394.563 3.960 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000812719441 890896335 /nfs/dbraw/zinc/89/63/35/890896335.db2.gz SWLOLZFLIHFUOH-IEBWSBKVSA-N 2 2 397.604 3.501 20 0 GHADLP COc1cccc([C@H](CNC(=O)Nc2c(C)cc(C)[nH+]c2C)[NH+]2CCCC2)c1 ZINC000455461264 890981734 /nfs/dbraw/zinc/98/17/34/890981734.db2.gz BMCHSDBYSGIGFG-FQEVSTJZSA-N 2 2 382.508 3.974 20 0 GHADLP C[NH+](C)Cc1cccc(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)c1 ZINC000533639942 891010375 /nfs/dbraw/zinc/01/03/75/891010375.db2.gz CNBIYGRKXKBTLA-UHFFFAOYSA-N 2 2 390.318 3.926 20 0 GHADLP CCc1cccc(NC(=O)C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000812832470 891015110 /nfs/dbraw/zinc/01/51/10/891015110.db2.gz NKBMHWAWNMTMTR-UHFFFAOYSA-N 2 2 380.536 3.512 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000812836526 891024323 /nfs/dbraw/zinc/02/43/23/891024323.db2.gz KJPAMELOHXASTP-UHFFFAOYSA-N 2 2 391.519 3.604 20 0 GHADLP CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533665660 891076247 /nfs/dbraw/zinc/07/62/47/891076247.db2.gz SGYDYEBOGXSRFB-RYFAJOAYSA-N 2 2 392.632 3.934 20 0 GHADLP CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533665660 891076252 /nfs/dbraw/zinc/07/62/52/891076252.db2.gz SGYDYEBOGXSRFB-RYFAJOAYSA-N 2 2 392.632 3.934 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000455570735 891251543 /nfs/dbraw/zinc/25/15/43/891251543.db2.gz MKLHDYUIMGDNJR-GGAORHGYSA-N 2 2 392.547 3.895 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000455570735 891251558 /nfs/dbraw/zinc/25/15/58/891251558.db2.gz MKLHDYUIMGDNJR-GGAORHGYSA-N 2 2 392.547 3.895 20 0 GHADLP Cc1cc(C)c(CNC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000455574227 891261171 /nfs/dbraw/zinc/26/11/71/891261171.db2.gz QPGQMJLQCHSAIZ-FPOVZHCZSA-N 2 2 380.536 3.798 20 0 GHADLP Cc1cc(C)c(CNC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000455574227 891261194 /nfs/dbraw/zinc/26/11/94/891261194.db2.gz QPGQMJLQCHSAIZ-FPOVZHCZSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000247968968 891403937 /nfs/dbraw/zinc/40/39/37/891403937.db2.gz HBNYSZWZKZCCNW-QFWMQHCXSA-N 2 2 375.516 3.768 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000247968968 891403945 /nfs/dbraw/zinc/40/39/45/891403945.db2.gz HBNYSZWZKZCCNW-QFWMQHCXSA-N 2 2 375.516 3.768 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@]3([NH+](C)C)CCC[C@H](C)C3)cn2c1 ZINC000497437301 891578471 /nfs/dbraw/zinc/57/84/71/891578471.db2.gz TVKYEVMJGACCSD-KKSFZXQISA-N 2 2 388.581 3.503 20 0 GHADLP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000162025444 892019454 /nfs/dbraw/zinc/01/94/54/892019454.db2.gz FAMNHGJGRKBZBO-IBGZPJMESA-N 2 2 384.520 3.565 20 0 GHADLP [NH3+][C@@H]1C[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1c1ccccc1 ZINC000261621656 892067026 /nfs/dbraw/zinc/06/70/26/892067026.db2.gz CZHWBBTZHZSMPU-BJKOFHAPSA-N 2 2 399.538 3.709 20 0 GHADLP [NH3+][C@@H]1C[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1c1ccccc1 ZINC000261621656 892067046 /nfs/dbraw/zinc/06/70/46/892067046.db2.gz CZHWBBTZHZSMPU-BJKOFHAPSA-N 2 2 399.538 3.709 20 0 GHADLP CC[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000162153269 892074926 /nfs/dbraw/zinc/07/49/26/892074926.db2.gz MDXNEGBTGAZFKN-BVOGOJNSSA-N 2 2 378.605 3.544 20 0 GHADLP CC[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000162153269 892074944 /nfs/dbraw/zinc/07/49/44/892074944.db2.gz MDXNEGBTGAZFKN-BVOGOJNSSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000129175153 893136249 /nfs/dbraw/zinc/13/62/49/893136249.db2.gz SBCQKPCCAIGFNO-KUHUBIRLSA-N 2 2 392.316 3.983 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000129175153 893136254 /nfs/dbraw/zinc/13/62/54/893136254.db2.gz SBCQKPCCAIGFNO-KUHUBIRLSA-N 2 2 392.316 3.983 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000778216786 893390027 /nfs/dbraw/zinc/39/00/27/893390027.db2.gz PLPMCVKNQWLDNE-RHSMWYFYSA-N 2 2 376.526 3.669 20 0 GHADLP C[N@H+](C[C@H](O)c1cccc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000815059309 893398906 /nfs/dbraw/zinc/39/89/06/893398906.db2.gz OXZFNPHCHNEFHT-VWLOTQADSA-N 2 2 389.543 3.907 20 0 GHADLP C[N@@H+](C[C@H](O)c1cccc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000815059309 893398920 /nfs/dbraw/zinc/39/89/20/893398920.db2.gz OXZFNPHCHNEFHT-VWLOTQADSA-N 2 2 389.543 3.907 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCCC23CC[NH+](C)CC3)c(C)c1 ZINC000536652060 893425599 /nfs/dbraw/zinc/42/55/99/893425599.db2.gz WFEKSUYFIMABAO-NRFANRHFSA-N 2 2 395.551 3.511 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000444789110 893509248 /nfs/dbraw/zinc/50/92/48/893509248.db2.gz BYMGCORLIUSUGH-CQSZACIVSA-N 2 2 391.397 3.869 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000444789110 893509265 /nfs/dbraw/zinc/50/92/65/893509265.db2.gz BYMGCORLIUSUGH-CQSZACIVSA-N 2 2 391.397 3.869 20 0 GHADLP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000444789589 893512237 /nfs/dbraw/zinc/51/22/37/893512237.db2.gz FGWGTWSNRNWASJ-NQIIRXRSSA-N 2 2 382.552 3.675 20 0 GHADLP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000444789589 893512253 /nfs/dbraw/zinc/51/22/53/893512253.db2.gz FGWGTWSNRNWASJ-NQIIRXRSSA-N 2 2 382.552 3.675 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@H](CN2CCCC2=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000556059247 893584143 /nfs/dbraw/zinc/58/41/43/893584143.db2.gz LFDQUVNZUKTCSX-ZRBLBEILSA-N 2 2 377.532 3.775 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@H](CN2CCCC2=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000556059247 893584156 /nfs/dbraw/zinc/58/41/56/893584156.db2.gz LFDQUVNZUKTCSX-ZRBLBEILSA-N 2 2 377.532 3.775 20 0 GHADLP Clc1cccc(N2CC[NH+](C3CC[NH+](CCC4CCOCC4)CC3)CC2)c1 ZINC000459504264 893647450 /nfs/dbraw/zinc/64/74/50/893647450.db2.gz IDKMOUJAOHMVHR-UHFFFAOYSA-N 2 2 391.987 3.743 20 0 GHADLP C[C@H]1CN(c2ccccc2C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCO1 ZINC000459536653 893709890 /nfs/dbraw/zinc/70/98/90/893709890.db2.gz SRJUMQAJRZWJKS-PZJWPPBQSA-N 2 2 394.563 3.824 20 0 GHADLP C[C@H]1CN(c2ccccc2C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCO1 ZINC000459536653 893709895 /nfs/dbraw/zinc/70/98/95/893709895.db2.gz SRJUMQAJRZWJKS-PZJWPPBQSA-N 2 2 394.563 3.824 20 0 GHADLP CCN(C(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1)c1cccc2ccccc21 ZINC000444814333 893736696 /nfs/dbraw/zinc/73/66/96/893736696.db2.gz DHKYJNWEFCWMFN-IBGZPJMESA-N 2 2 376.504 3.806 20 0 GHADLP CCN(C(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1)c1cccc2ccccc21 ZINC000444814333 893736701 /nfs/dbraw/zinc/73/67/01/893736701.db2.gz DHKYJNWEFCWMFN-IBGZPJMESA-N 2 2 376.504 3.806 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000877759707 893798023 /nfs/dbraw/zinc/79/80/23/893798023.db2.gz WUDSKDUTHYUAHO-CTNGQTDRSA-N 2 2 394.943 3.567 20 0 GHADLP C[NH+](C)[C@@H]1CCC[NH+](C[C@@H](C[N@H+]2CCC[C@H]([NH+](C)C)CC2)C2CCCC2)CC1 ZINC000878511847 894349814 /nfs/dbraw/zinc/34/98/14/894349814.db2.gz HQHSWJKJNQJRBM-BKFWDETESA-N 3 2 392.676 3.625 20 0 GHADLP C[NH+](C)[C@@H]1CCC[NH+](C[C@@H](C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)C2CCCC2)CC1 ZINC000878511847 894349827 /nfs/dbraw/zinc/34/98/27/894349827.db2.gz HQHSWJKJNQJRBM-BKFWDETESA-N 3 2 392.676 3.625 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](C[NH+]2CCC[C@H]([NH+](C)C)CC2)C2CCCC2)CC1 ZINC000878511847 894349847 /nfs/dbraw/zinc/34/98/47/894349847.db2.gz HQHSWJKJNQJRBM-BKFWDETESA-N 4 2 392.676 3.625 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](C[NH+]2CCC[C@H]([NH+](C)C)CC2)C2CCCC2)CC1 ZINC000878511847 894349863 /nfs/dbraw/zinc/34/98/63/894349863.db2.gz HQHSWJKJNQJRBM-BKFWDETESA-N 4 2 392.676 3.625 20 0 GHADLP C[NH+](C)[C@@H]1CCCN(C[C@@H](C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)C2CCCC2)CC1 ZINC000878511847 894349882 /nfs/dbraw/zinc/34/98/82/894349882.db2.gz HQHSWJKJNQJRBM-BKFWDETESA-N 3 2 392.676 3.625 20 0 GHADLP C[NH+](C)[C@@H]1CCCN(C[C@@H](C[N@H+]2CCC[C@H]([NH+](C)C)CC2)C2CCCC2)CC1 ZINC000878511847 894349898 /nfs/dbraw/zinc/34/98/98/894349898.db2.gz HQHSWJKJNQJRBM-BKFWDETESA-N 3 2 392.676 3.625 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](CN2CCC[C@H]([NH+](C)C)CC2)C2CCCC2)CC1 ZINC000878511847 894349914 /nfs/dbraw/zinc/34/99/14/894349914.db2.gz HQHSWJKJNQJRBM-BKFWDETESA-N 3 2 392.676 3.625 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](CN2CCC[C@H]([NH+](C)C)CC2)C2CCCC2)CC1 ZINC000878511847 894349923 /nfs/dbraw/zinc/34/99/23/894349923.db2.gz HQHSWJKJNQJRBM-BKFWDETESA-N 3 2 392.676 3.625 20 0 GHADLP CC(C)Oc1ccccc1C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001137138354 894659800 /nfs/dbraw/zinc/65/98/00/894659800.db2.gz YBMUNSLLFUTPRK-UHFFFAOYSA-N 2 2 382.552 3.838 20 0 GHADLP CC(C)Oc1ccccc1C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001137138354 894659804 /nfs/dbraw/zinc/65/98/04/894659804.db2.gz YBMUNSLLFUTPRK-UHFFFAOYSA-N 2 2 382.552 3.838 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3scnc3Cl)C2)ccn1 ZINC000879018708 894786940 /nfs/dbraw/zinc/78/69/40/894786940.db2.gz HVDWRECFSFJWQK-MRXNPFEDSA-N 2 2 380.945 3.685 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3scnc3Cl)C2)ccn1 ZINC000879018708 894786957 /nfs/dbraw/zinc/78/69/57/894786957.db2.gz HVDWRECFSFJWQK-MRXNPFEDSA-N 2 2 380.945 3.685 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3scnc3Cl)C2)ccn1 ZINC000879018708 894786980 /nfs/dbraw/zinc/78/69/80/894786980.db2.gz HVDWRECFSFJWQK-MRXNPFEDSA-N 2 2 380.945 3.685 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3scnc3Cl)C2)ccn1 ZINC000879018708 894786991 /nfs/dbraw/zinc/78/69/91/894786991.db2.gz HVDWRECFSFJWQK-MRXNPFEDSA-N 2 2 380.945 3.685 20 0 GHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccncc2OCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000645457471 913910838 /nfs/dbraw/zinc/91/08/38/913910838.db2.gz VPDFTZMJGMAGGJ-MSOLQXFVSA-N 2 2 379.426 3.948 20 0 GHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccncc2OCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000645457471 913910856 /nfs/dbraw/zinc/91/08/56/913910856.db2.gz VPDFTZMJGMAGGJ-MSOLQXFVSA-N 2 2 379.426 3.948 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc2c(c1)OCCCO2 ZINC000537455897 895033986 /nfs/dbraw/zinc/03/39/86/895033986.db2.gz LRBLOOUOTOUPFV-QFBILLFUSA-N 2 2 382.508 3.556 20 0 GHADLP COc1ccc2c(c1)[C@@H](Nc1ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]1)CCCO2 ZINC000537455502 895037418 /nfs/dbraw/zinc/03/74/18/895037418.db2.gz DTJGWBBZCWNEOA-PXNSSMCTSA-N 2 2 382.508 3.556 20 0 GHADLP C[C@H](NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000888777063 895129550 /nfs/dbraw/zinc/12/95/50/895129550.db2.gz IOLSFLFPOGQBDO-YRPNKDGESA-N 2 2 399.583 3.757 20 0 GHADLP C[C@H](NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000888777063 895129555 /nfs/dbraw/zinc/12/95/55/895129555.db2.gz IOLSFLFPOGQBDO-YRPNKDGESA-N 2 2 399.583 3.757 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1Cl ZINC000564988133 895338852 /nfs/dbraw/zinc/33/88/52/895338852.db2.gz ONZUISWBNIJZDB-MGPUTAFESA-N 2 2 387.911 3.699 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](C[NH3+])C2)cc1Cl ZINC000564988133 895338867 /nfs/dbraw/zinc/33/88/67/895338867.db2.gz ONZUISWBNIJZDB-MGPUTAFESA-N 2 2 387.911 3.699 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=S)Nc3cccc(Cl)c3)CC2)CC1 ZINC000817565052 895735880 /nfs/dbraw/zinc/73/58/80/895735880.db2.gz ACJPZHCGNFKPGK-UHFFFAOYSA-N 2 2 380.989 3.529 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=S)Nc3cccc(Cl)c3)CC2)CC1 ZINC000817565052 895735891 /nfs/dbraw/zinc/73/58/91/895735891.db2.gz ACJPZHCGNFKPGK-UHFFFAOYSA-N 2 2 380.989 3.529 20 0 GHADLP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000565862266 895940006 /nfs/dbraw/zinc/94/00/06/895940006.db2.gz XZIUUHJTLJLHMW-RDJZCZTQSA-N 2 2 399.398 3.763 20 0 GHADLP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000565862266 895940011 /nfs/dbraw/zinc/94/00/11/895940011.db2.gz XZIUUHJTLJLHMW-RDJZCZTQSA-N 2 2 399.398 3.763 20 0 GHADLP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000565862266 895940021 /nfs/dbraw/zinc/94/00/21/895940021.db2.gz XZIUUHJTLJLHMW-RDJZCZTQSA-N 2 2 399.398 3.763 20 0 GHADLP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000565862266 895940032 /nfs/dbraw/zinc/94/00/32/895940032.db2.gz XZIUUHJTLJLHMW-RDJZCZTQSA-N 2 2 399.398 3.763 20 0 GHADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000566287136 896217368 /nfs/dbraw/zinc/21/73/68/896217368.db2.gz YSJSCZONCLQLFY-JPYJTQIMSA-N 2 2 388.515 3.603 20 0 GHADLP CCCC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000566497225 896340909 /nfs/dbraw/zinc/34/09/09/896340909.db2.gz UVRVWEIDNVYXNH-OAQYLSRUSA-N 2 2 383.540 3.616 20 0 GHADLP COc1ccc(O[C@H](C)C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000129043562 896359371 /nfs/dbraw/zinc/35/93/71/896359371.db2.gz IALZHOMYENAJBR-GOSISDBHSA-N 2 2 383.536 3.787 20 0 GHADLP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000567523638 897222471 /nfs/dbraw/zinc/22/24/71/897222471.db2.gz HOKUODIQVBLAJU-PIBZIWMISA-N 2 2 392.632 3.790 20 0 GHADLP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000567523638 897222489 /nfs/dbraw/zinc/22/24/89/897222489.db2.gz HOKUODIQVBLAJU-PIBZIWMISA-N 2 2 392.632 3.790 20 0 GHADLP C[C@H](OC[C@@H](O)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000567678690 897332834 /nfs/dbraw/zinc/33/28/34/897332834.db2.gz ZHXKXDLQQFBOIT-JTSKRJEESA-N 2 2 399.922 3.813 20 0 GHADLP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000567844885 897441829 /nfs/dbraw/zinc/44/18/29/897441829.db2.gz CBEKFMIUYLYHNN-IBGZPJMESA-N 2 2 384.549 3.603 20 0 GHADLP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000567844885 897441835 /nfs/dbraw/zinc/44/18/35/897441835.db2.gz CBEKFMIUYLYHNN-IBGZPJMESA-N 2 2 384.549 3.603 20 0 GHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000883386319 897549054 /nfs/dbraw/zinc/54/90/54/897549054.db2.gz DGUHEJZWVSZOBY-HNAYVOBHSA-N 2 2 387.480 3.518 20 0 GHADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)cc2)c[nH+]1 ZINC000101543964 897944171 /nfs/dbraw/zinc/94/41/71/897944171.db2.gz JGDLDCBKVQFKBS-LJQANCHMSA-N 2 2 376.508 3.570 20 0 GHADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)cc2)c[nH+]1 ZINC000101543964 897944179 /nfs/dbraw/zinc/94/41/79/897944179.db2.gz JGDLDCBKVQFKBS-LJQANCHMSA-N 2 2 376.508 3.570 20 0 GHADLP COc1ccc(C[NH+]2CCC(CNC(=O)c3c(C)cc(C)[nH+]c3C)CC2)cc1 ZINC001136471286 897981921 /nfs/dbraw/zinc/98/19/21/897981921.db2.gz OPLPLENODBMUCO-UHFFFAOYSA-N 2 2 381.520 3.657 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000568620372 897989286 /nfs/dbraw/zinc/98/92/86/897989286.db2.gz MDYKSPJAEDJGMS-CLOONOSVSA-N 2 2 389.543 3.953 20 0 GHADLP CC(C)(C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[NH+]1CCCCC1 ZINC001136640571 898678710 /nfs/dbraw/zinc/67/87/10/898678710.db2.gz CYUZELGWHXCVPR-UHFFFAOYSA-N 2 2 394.523 3.526 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc2ccccc2c1 ZINC000111244676 898794104 /nfs/dbraw/zinc/79/41/04/898794104.db2.gz VAYYSXXDIWHRCK-ROUUACIJSA-N 2 2 376.504 3.939 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)s1 ZINC000796307912 914310801 /nfs/dbraw/zinc/31/08/01/914310801.db2.gz OAFGPUJOBYXQCS-CQSZACIVSA-N 2 2 384.471 3.592 20 0 GHADLP CC[C@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[N@H+](C)Cc1ccccc1 ZINC000646189796 914312217 /nfs/dbraw/zinc/31/22/17/914312217.db2.gz BRTVHKRUNNINKQ-NJDAHSKKSA-N 2 2 380.536 3.832 20 0 GHADLP CC[C@H](C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000646189796 914312235 /nfs/dbraw/zinc/31/22/35/914312235.db2.gz BRTVHKRUNNINKQ-NJDAHSKKSA-N 2 2 380.536 3.832 20 0 GHADLP Fc1ccccc1-c1ncc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000823851505 899279628 /nfs/dbraw/zinc/27/96/28/899279628.db2.gz MSZOFWRFFZKQKE-MRXNPFEDSA-N 2 2 375.513 3.682 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(OCc2cccnc2)c1 ZINC000646243362 914348065 /nfs/dbraw/zinc/34/80/65/914348065.db2.gz NSDWBQDOYNAJOA-HSZRJFAPSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(OCc2cccnc2)c1 ZINC000646243362 914348079 /nfs/dbraw/zinc/34/80/79/914348079.db2.gz NSDWBQDOYNAJOA-HSZRJFAPSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(OCc2cccnc2)c1 ZINC000646243362 914348090 /nfs/dbraw/zinc/34/80/90/914348090.db2.gz NSDWBQDOYNAJOA-HSZRJFAPSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(OCc2cccnc2)c1 ZINC000646243362 914348100 /nfs/dbraw/zinc/34/81/00/914348100.db2.gz NSDWBQDOYNAJOA-HSZRJFAPSA-N 2 2 381.520 3.587 20 0 GHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000570700190 899517135 /nfs/dbraw/zinc/51/71/35/899517135.db2.gz IFKISAXPJUFCBB-SBUREZEXSA-N 2 2 379.504 3.723 20 0 GHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000570700190 899517143 /nfs/dbraw/zinc/51/71/43/899517143.db2.gz IFKISAXPJUFCBB-SBUREZEXSA-N 2 2 379.504 3.723 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc(Cl)cn4)CC3)C2)cc1 ZINC001136928261 899784449 /nfs/dbraw/zinc/78/44/49/899784449.db2.gz HHOIXKMOOUWELZ-UHFFFAOYSA-N 2 2 385.939 3.910 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(Cl)cn4)CC3)C2)cc1 ZINC001136928261 899784452 /nfs/dbraw/zinc/78/44/52/899784452.db2.gz HHOIXKMOOUWELZ-UHFFFAOYSA-N 2 2 385.939 3.910 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cnc4ccccc4c3)CC2)cc1 ZINC000824903743 899868612 /nfs/dbraw/zinc/86/86/12/899868612.db2.gz LZBSHPMEXCGSIF-UHFFFAOYSA-N 2 2 388.515 3.947 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4[nH]cnc4c3)C[C@@H]21 ZINC001137045624 900205293 /nfs/dbraw/zinc/20/52/93/900205293.db2.gz PKKCGIABJZDEMT-QMHWCDLVSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4[nH]cnc4c3)C[C@@H]21 ZINC001137045624 900205309 /nfs/dbraw/zinc/20/53/09/900205309.db2.gz PKKCGIABJZDEMT-QMHWCDLVSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4[nH]cnc4c3)C[C@@H]21 ZINC001137045624 900205321 /nfs/dbraw/zinc/20/53/21/900205321.db2.gz PKKCGIABJZDEMT-QMHWCDLVSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4[nH]cnc4c3)C[C@@H]21 ZINC001137045624 900205336 /nfs/dbraw/zinc/20/53/36/900205336.db2.gz PKKCGIABJZDEMT-QMHWCDLVSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4nc[nH]c4c3)C[C@@H]21 ZINC001137045624 900205351 /nfs/dbraw/zinc/20/53/51/900205351.db2.gz PKKCGIABJZDEMT-QMHWCDLVSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4nc[nH]c4c3)C[C@@H]21 ZINC001137045624 900205366 /nfs/dbraw/zinc/20/53/66/900205366.db2.gz PKKCGIABJZDEMT-QMHWCDLVSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4nc[nH]c4c3)C[C@@H]21 ZINC001137045624 900205377 /nfs/dbraw/zinc/20/53/77/900205377.db2.gz PKKCGIABJZDEMT-QMHWCDLVSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4nc[nH]c4c3)C[C@@H]21 ZINC001137045624 900205387 /nfs/dbraw/zinc/20/53/87/900205387.db2.gz PKKCGIABJZDEMT-QMHWCDLVSA-N 2 2 375.520 3.690 20 0 GHADLP COc1cccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)c1OC ZINC000573688402 900596809 /nfs/dbraw/zinc/59/68/09/900596809.db2.gz JCCWUEXGYKTTRH-YJBOKZPZSA-N 2 2 387.549 3.791 20 0 GHADLP COc1cccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)c1OC ZINC000573688402 900596814 /nfs/dbraw/zinc/59/68/14/900596814.db2.gz JCCWUEXGYKTTRH-YJBOKZPZSA-N 2 2 387.549 3.791 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(SC)s3)cc2)CC1 ZINC000574847612 901036195 /nfs/dbraw/zinc/03/61/95/901036195.db2.gz UABRIALQLOLPLC-UHFFFAOYSA-N 2 2 375.607 3.897 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886938740 901339806 /nfs/dbraw/zinc/33/98/06/901339806.db2.gz XPQAYPDTNNDQEQ-HSZRJFAPSA-N 2 2 391.519 3.599 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000844904354 901489283 /nfs/dbraw/zinc/48/92/83/901489283.db2.gz JCWHBKALYATMAG-UHFFFAOYSA-N 2 2 390.865 3.920 20 0 GHADLP COc1ccc(C[C@](C)(O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000576152625 901732196 /nfs/dbraw/zinc/73/21/96/901732196.db2.gz QMQJCKMHSIJMRW-HXOBKFHXSA-N 2 2 395.503 3.534 20 0 GHADLP COc1cc(C[NH+]2CCOCC2)ccc1-n1cc(C[C@@H](C)[NH3+])c2ccc(C)cc21 ZINC001171168800 901928946 /nfs/dbraw/zinc/92/89/46/901928946.db2.gz VJVMCQSOONDLGQ-GOSISDBHSA-N 2 2 393.531 3.669 20 0 GHADLP COC(=O)c1ccc(F)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000576316290 901939568 /nfs/dbraw/zinc/93/95/68/901939568.db2.gz LAAVOCZQXNREOE-CTNGQTDRSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(F)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000576316290 901939579 /nfs/dbraw/zinc/93/95/79/901939579.db2.gz LAAVOCZQXNREOE-CTNGQTDRSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(F)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000576316290 901939593 /nfs/dbraw/zinc/93/95/93/901939593.db2.gz LAAVOCZQXNREOE-CTNGQTDRSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(F)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000576316290 901939602 /nfs/dbraw/zinc/93/96/02/901939602.db2.gz LAAVOCZQXNREOE-CTNGQTDRSA-N 2 2 382.479 3.566 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333319727 902002647 /nfs/dbraw/zinc/00/26/47/902002647.db2.gz MVVIEZJISNRYES-UHFFFAOYSA-N 2 2 393.535 3.884 20 0 GHADLP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000127351165 902461281 /nfs/dbraw/zinc/46/12/81/902461281.db2.gz XGYLIYXJNFJXQN-UHFFFAOYSA-N 2 2 397.523 3.617 20 0 GHADLP Cc1cn2cc(NC(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH+]1 ZINC000577105013 902504722 /nfs/dbraw/zinc/50/47/22/902504722.db2.gz AJNYEBGALPXZOW-VQTJNVASSA-N 2 2 389.503 3.629 20 0 GHADLP Cc1cn2cc(NC(=O)N3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH+]1 ZINC000577105013 902504734 /nfs/dbraw/zinc/50/47/34/902504734.db2.gz AJNYEBGALPXZOW-VQTJNVASSA-N 2 2 389.503 3.629 20 0 GHADLP CC(C)(C)OC(=O)NCCC1CC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000845926800 902534794 /nfs/dbraw/zinc/53/47/94/902534794.db2.gz RPHXHEIMBWNBNX-UHFFFAOYSA-N 2 2 388.487 3.794 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1NC(C)=O ZINC000132350332 903242993 /nfs/dbraw/zinc/24/29/93/903242993.db2.gz XPQSUXDGKZENFF-KRWDZBQOSA-N 2 2 381.520 3.969 20 0 GHADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccncc1 ZINC000577901403 903323901 /nfs/dbraw/zinc/32/39/01/903323901.db2.gz HCARINCMMVTHJY-LJQANCHMSA-N 2 2 381.549 3.815 20 0 GHADLP CC[N@H+]1CCC[C@@H]1CN(Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccncc1 ZINC000577901403 903323914 /nfs/dbraw/zinc/32/39/14/903323914.db2.gz HCARINCMMVTHJY-LJQANCHMSA-N 2 2 381.549 3.815 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000779063154 903756745 /nfs/dbraw/zinc/75/67/45/903756745.db2.gz WTZZHXKJWNMIOZ-PKOBYXMFSA-N 2 2 397.604 3.549 20 0 GHADLP CCCN(CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000773107132 904437427 /nfs/dbraw/zinc/43/74/27/904437427.db2.gz LWPSYNVDQSRTIG-ICSRJNTNSA-N 2 2 390.572 3.529 20 0 GHADLP CCCN(CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000773107132 904437432 /nfs/dbraw/zinc/43/74/32/904437432.db2.gz LWPSYNVDQSRTIG-ICSRJNTNSA-N 2 2 390.572 3.529 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)CC2)cc1 ZINC000773141698 904478275 /nfs/dbraw/zinc/47/82/75/904478275.db2.gz ULDXCQDNTDCHJA-VAMGGRTRSA-N 2 2 377.623 3.691 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cn2c3cc(F)ccc3oc2=O)CC1)CC(C)C ZINC000773323725 904714465 /nfs/dbraw/zinc/71/44/65/904714465.db2.gz XYCUBFLDHOHXRU-UHFFFAOYSA-N 2 2 377.504 3.771 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cn2c3cc(F)ccc3oc2=O)CC1)CC(C)C ZINC000773323725 904714473 /nfs/dbraw/zinc/71/44/73/904714473.db2.gz XYCUBFLDHOHXRU-UHFFFAOYSA-N 2 2 377.504 3.771 20 0 GHADLP Cc1cccc2c1C[N@H+](CC(=O)Nc1cccc(C[NH+]3CCSCC3)c1)CC2 ZINC000429568336 904774859 /nfs/dbraw/zinc/77/48/59/904774859.db2.gz PECZRKDJQSWWPC-UHFFFAOYSA-N 2 2 395.572 3.541 20 0 GHADLP Cc1cccc2c1C[N@@H+](CC(=O)Nc1cccc(C[NH+]3CCSCC3)c1)CC2 ZINC000429568336 904774872 /nfs/dbraw/zinc/77/48/72/904774872.db2.gz PECZRKDJQSWWPC-UHFFFAOYSA-N 2 2 395.572 3.541 20 0 GHADLP C[NH+]1C(C)(C)CC([N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)CC1(C)C ZINC001171639944 904929581 /nfs/dbraw/zinc/92/95/81/904929581.db2.gz WCODSRSSRFXTMX-FQEVSTJZSA-N 2 2 385.596 3.979 20 0 GHADLP C[NH+]1C(C)(C)CC([N@H+]2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)CC1(C)C ZINC001171639944 904929589 /nfs/dbraw/zinc/92/95/89/904929589.db2.gz WCODSRSSRFXTMX-FQEVSTJZSA-N 2 2 385.596 3.979 20 0 GHADLP CCOC(=O)C1(C)CCC([NH2+][C@@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC001171940015 905194844 /nfs/dbraw/zinc/19/48/44/905194844.db2.gz HJXCFCVGMQUNTD-PQUAAJSLSA-N 2 2 383.330 3.551 20 0 GHADLP Brc1ccc(N2CCC([NH2+]Cc3ccc4[nH+]ccn4c3)CC2)cc1 ZINC001171990054 905200513 /nfs/dbraw/zinc/20/05/13/905200513.db2.gz LWBXZCNNXHNZQX-UHFFFAOYSA-N 2 2 385.309 3.855 20 0 GHADLP CC1(C)C[C@@H]([NH2+]Cc2ccnc(OCC3CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC001171979745 905228874 /nfs/dbraw/zinc/22/88/74/905228874.db2.gz QNKDVSIRYMWZAW-FQEVSTJZSA-N 2 2 380.536 3.798 20 0 GHADLP CC1(C)C[C@@H]([NH2+]Cc2ccnc(OCC3CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC001171979745 905228887 /nfs/dbraw/zinc/22/88/87/905228887.db2.gz QNKDVSIRYMWZAW-FQEVSTJZSA-N 2 2 380.536 3.798 20 0 GHADLP COc1cccnc1N1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171983733 905237668 /nfs/dbraw/zinc/23/76/68/905237668.db2.gz ACXHJSSDQWQIMG-OAQYLSRUSA-N 2 2 394.563 3.655 20 0 GHADLP COc1cccnc1N1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171983733 905237675 /nfs/dbraw/zinc/23/76/75/905237675.db2.gz ACXHJSSDQWQIMG-OAQYLSRUSA-N 2 2 394.563 3.655 20 0 GHADLP COc1ccc(N2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)nc1 ZINC001171987561 905251599 /nfs/dbraw/zinc/25/15/99/905251599.db2.gz XEWWXKPKHIVLFV-NRFANRHFSA-N 2 2 394.563 3.655 20 0 GHADLP COc1ccc(N2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)nc1 ZINC001171987561 905251608 /nfs/dbraw/zinc/25/16/08/905251608.db2.gz XEWWXKPKHIVLFV-NRFANRHFSA-N 2 2 394.563 3.655 20 0 GHADLP COc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1SC ZINC000174655303 905316811 /nfs/dbraw/zinc/31/68/11/905316811.db2.gz AFHKYLQBEVMZST-UHFFFAOYSA-N 2 2 385.577 3.951 20 0 GHADLP COc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1SC ZINC000174655303 905316828 /nfs/dbraw/zinc/31/68/28/905316828.db2.gz AFHKYLQBEVMZST-UHFFFAOYSA-N 2 2 385.577 3.951 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@@H](C)C[NH+]2CCCC2)CC1 ZINC001172209896 905409796 /nfs/dbraw/zinc/40/97/96/905409796.db2.gz PCPDCNQKDBWZQB-YQHFOJDRSA-N 2 2 378.944 3.767 20 0 GHADLP CCOCC[C@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC001172411246 905533352 /nfs/dbraw/zinc/53/33/52/905533352.db2.gz GWFYVDNTHAIFAN-KKSFZXQISA-N 2 2 380.492 3.532 20 0 GHADLP CC(C)OCC[C@H](C)[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001172451783 905570943 /nfs/dbraw/zinc/57/09/43/905570943.db2.gz NFSKAWDMIYMDDC-AZUAARDMSA-N 2 2 381.511 3.818 20 0 GHADLP CC(C)OCC[C@H](C)[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001172451783 905570949 /nfs/dbraw/zinc/57/09/49/905570949.db2.gz NFSKAWDMIYMDDC-AZUAARDMSA-N 2 2 381.511 3.818 20 0 GHADLP CC(C)OCC[C@H](C)[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001172451783 905570961 /nfs/dbraw/zinc/57/09/61/905570961.db2.gz NFSKAWDMIYMDDC-AZUAARDMSA-N 2 2 381.511 3.818 20 0 GHADLP CC(C)OCC[C@H](C)[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001172451783 905570971 /nfs/dbraw/zinc/57/09/71/905570971.db2.gz NFSKAWDMIYMDDC-AZUAARDMSA-N 2 2 381.511 3.818 20 0 GHADLP CC(C)OC(=O)CC[C@H](C)[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001172757945 905802981 /nfs/dbraw/zinc/80/29/81/905802981.db2.gz KFCJSVDUCJIXNP-SFHVURJKSA-N 2 2 399.535 3.785 20 0 GHADLP CC(C)OC(=O)CC[C@H](C)[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001172757945 905802994 /nfs/dbraw/zinc/80/29/94/905802994.db2.gz KFCJSVDUCJIXNP-SFHVURJKSA-N 2 2 399.535 3.785 20 0 GHADLP CC(C)OC(=O)CC[C@H](C)[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001172757945 905803004 /nfs/dbraw/zinc/80/30/04/905803004.db2.gz KFCJSVDUCJIXNP-SFHVURJKSA-N 2 2 399.535 3.785 20 0 GHADLP CC(C)OC(=O)CC[C@H](C)[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001172757945 905803018 /nfs/dbraw/zinc/80/30/18/905803018.db2.gz KFCJSVDUCJIXNP-SFHVURJKSA-N 2 2 399.535 3.785 20 0 GHADLP Cc1ccc2c(c1)C[C@H]([NH2+]CCSCc1csc(C[NH+](C)C)n1)CC2 ZINC001172836113 905869333 /nfs/dbraw/zinc/86/93/33/905869333.db2.gz SETXIWBSYCDDGQ-GOSISDBHSA-N 2 2 375.607 3.893 20 0 GHADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001172881036 905964056 /nfs/dbraw/zinc/96/40/56/905964056.db2.gz WHFQYPYXGAZLHB-YSSFQJQWSA-N 2 2 375.969 3.622 20 0 GHADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001172958146 906065073 /nfs/dbraw/zinc/06/50/73/906065073.db2.gz WAXAJIRATUGFMS-ICSRJNTNSA-N 2 2 375.557 3.886 20 0 GHADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001172958146 906065090 /nfs/dbraw/zinc/06/50/90/906065090.db2.gz WAXAJIRATUGFMS-ICSRJNTNSA-N 2 2 375.557 3.886 20 0 GHADLP COc1ccc(C(=O)N2CCC([N@H+](C3CCCC3)C3CC[NH+](C)CC3)CC2)cc1 ZINC001173411119 906437173 /nfs/dbraw/zinc/43/71/73/906437173.db2.gz HDDIKLRAKNENLI-UHFFFAOYSA-N 2 2 399.579 3.639 20 0 GHADLP COc1ccc(C(=O)N2CCC([N@@H+](C3CCCC3)C3CC[NH+](C)CC3)CC2)cc1 ZINC001173411119 906437178 /nfs/dbraw/zinc/43/71/78/906437178.db2.gz HDDIKLRAKNENLI-UHFFFAOYSA-N 2 2 399.579 3.639 20 0 GHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173412958 906440492 /nfs/dbraw/zinc/44/04/92/906440492.db2.gz DATTXYFHJQXYMG-QGZVFWFLSA-N 2 2 377.960 3.655 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001173660421 906596462 /nfs/dbraw/zinc/59/64/62/906596462.db2.gz JQHJTQPJCUYSGM-XLIONFOSSA-N 2 2 376.516 3.844 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001173660421 906596474 /nfs/dbraw/zinc/59/64/74/906596474.db2.gz JQHJTQPJCUYSGM-XLIONFOSSA-N 2 2 376.516 3.844 20 0 GHADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173664485 906601626 /nfs/dbraw/zinc/60/16/26/906601626.db2.gz UNABKJAMZNHJFT-UHFFFAOYSA-N 2 2 387.465 3.715 20 0 GHADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@@H]1C(F)(F)F ZINC000629564322 906870421 /nfs/dbraw/zinc/87/04/21/906870421.db2.gz SOZMHSBGILQORJ-MJGOQNOKSA-N 2 2 391.437 3.898 20 0 GHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@@H]1C(F)(F)F ZINC000629564322 906870434 /nfs/dbraw/zinc/87/04/34/906870434.db2.gz SOZMHSBGILQORJ-MJGOQNOKSA-N 2 2 391.437 3.898 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000366047064 921294647 /nfs/dbraw/zinc/29/46/47/921294647.db2.gz TYHWLZQFWHIBRY-DPLHUUCSSA-N 2 2 378.564 3.798 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000366047064 921294649 /nfs/dbraw/zinc/29/46/49/921294649.db2.gz TYHWLZQFWHIBRY-DPLHUUCSSA-N 2 2 378.564 3.798 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@@H+]3CC[C@@H](c4nccs4)C3)CC2)cc1 ZINC001175733654 907710266 /nfs/dbraw/zinc/71/02/66/907710266.db2.gz PGJAWRDHFQKAKR-QGZVFWFLSA-N 2 2 390.984 3.798 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@H+]3CC[C@@H](c4nccs4)C3)CC2)cc1 ZINC001175733654 907710271 /nfs/dbraw/zinc/71/02/71/907710271.db2.gz PGJAWRDHFQKAKR-QGZVFWFLSA-N 2 2 390.984 3.798 20 0 GHADLP c1cc(OCC[NH+]2CCCCC2)ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001175796311 907751778 /nfs/dbraw/zinc/75/17/78/907751778.db2.gz IZJOPPZUHZBBNN-UHFFFAOYSA-N 2 2 382.508 3.527 20 0 GHADLP c1cc(C[NH+]2CCCC2)cc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)c1 ZINC001176197225 907971304 /nfs/dbraw/zinc/97/13/04/907971304.db2.gz FVKRMYRNZKSHBV-UHFFFAOYSA-N 2 2 392.547 3.547 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC001176991224 908350777 /nfs/dbraw/zinc/35/07/77/908350777.db2.gz QZCOHELETRIQMR-HKUYNNGSSA-N 2 2 382.508 3.843 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC001176991224 908350790 /nfs/dbraw/zinc/35/07/90/908350790.db2.gz QZCOHELETRIQMR-HKUYNNGSSA-N 2 2 382.508 3.843 20 0 GHADLP CN(CC(=O)Nc1cccc2c1C[N@H+](C)C[C@@H]2c1ccccc1)c1cccc[nH+]1 ZINC001177413833 908568462 /nfs/dbraw/zinc/56/84/62/908568462.db2.gz YJIZTCDSXOXYRN-HXUWFJFHSA-N 2 2 386.499 3.734 20 0 GHADLP CN(CC(=O)Nc1cccc2c1C[N@@H+](C)C[C@@H]2c1ccccc1)c1cccc[nH+]1 ZINC001177413833 908568469 /nfs/dbraw/zinc/56/84/69/908568469.db2.gz YJIZTCDSXOXYRN-HXUWFJFHSA-N 2 2 386.499 3.734 20 0 GHADLP C[C@H](C[NH2+]Cc1cccc(F)c1I)C[NH+]1CCCCC1 ZINC001177416524 908568811 /nfs/dbraw/zinc/56/88/11/908568811.db2.gz RHNOOLLRUWLRED-CYBMUJFWSA-N 2 2 390.284 3.642 20 0 GHADLP Clc1cc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)ccc1OCCn1cc[nH+]c1 ZINC001178436515 909037197 /nfs/dbraw/zinc/03/71/97/909037197.db2.gz JUSZXVGIBCFGJQ-YLJYHZDGSA-N 2 2 375.900 3.663 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000718062174 909079386 /nfs/dbraw/zinc/07/93/86/909079386.db2.gz LQCPAXNPALUWOJ-OAQYLSRUSA-N 2 2 387.568 3.886 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000718062174 909079403 /nfs/dbraw/zinc/07/94/03/909079403.db2.gz LQCPAXNPALUWOJ-OAQYLSRUSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CCC(F)(F)CC1 ZINC001179044965 909360147 /nfs/dbraw/zinc/36/01/47/909360147.db2.gz WMDMGJJZIQESRP-KRWDZBQOSA-N 2 2 382.495 3.701 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CCC(F)(F)CC1 ZINC001179044966 909360366 /nfs/dbraw/zinc/36/03/66/909360366.db2.gz WMDMGJJZIQESRP-QGZVFWFLSA-N 2 2 382.495 3.701 20 0 GHADLP C[C@H]([NH2+][C@H](c1nccn1C)c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000268758329 910002637 /nfs/dbraw/zinc/00/26/37/910002637.db2.gz KGHQZRCGBSMTNL-JTSKRJEESA-N 2 2 396.510 3.940 20 0 GHADLP COc1cccc([C@@H]([NH3+])C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1 ZINC000638072452 910046704 /nfs/dbraw/zinc/04/67/04/910046704.db2.gz SHQGUTGRVAKAHZ-HXUWFJFHSA-N 2 2 378.476 3.702 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CCC2(CC[N@H+](C)C2)CC1)c1ccccc1Cl ZINC001274451438 910070396 /nfs/dbraw/zinc/07/03/96/910070396.db2.gz UHOYVPIQUMHVFD-IBGZPJMESA-N 2 2 377.960 3.667 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CCC2(CC[N@@H+](C)C2)CC1)c1ccccc1Cl ZINC001274451438 910070405 /nfs/dbraw/zinc/07/04/05/910070405.db2.gz UHOYVPIQUMHVFD-IBGZPJMESA-N 2 2 377.960 3.667 20 0 GHADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)nc(N2CCCC2)n1 ZINC000639218122 910354368 /nfs/dbraw/zinc/35/43/68/910354368.db2.gz AJUOUIXQUMSREP-OFNKIYASSA-N 2 2 391.563 3.843 20 0 GHADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)nc(N2CCCC2)n1 ZINC000639218122 910354386 /nfs/dbraw/zinc/35/43/86/910354386.db2.gz AJUOUIXQUMSREP-OFNKIYASSA-N 2 2 391.563 3.843 20 0 GHADLP CN(C(=O)c1cccc2cnccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000270018061 910409081 /nfs/dbraw/zinc/40/90/81/910409081.db2.gz CYQSEIIDNIGYLF-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cccc2cnccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000270018061 910409087 /nfs/dbraw/zinc/40/90/87/910409087.db2.gz CYQSEIIDNIGYLF-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2ccnc(C[NH+](C)C)c2)c(C)c1 ZINC000640612238 911084195 /nfs/dbraw/zinc/08/41/95/911084195.db2.gz NVLIQJOUUMZJMT-OAQYLSRUSA-N 2 2 392.507 3.520 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc4c(c3)COC(C)(C)O4)[nH+]c2)CC1 ZINC000274467532 911342877 /nfs/dbraw/zinc/34/28/77/911342877.db2.gz WPHGKKDIZCGBKK-UHFFFAOYSA-N 2 2 396.535 3.869 20 0 GHADLP CC(C)(C)[C@]1(C[NH2+]CCC(C)(C)S(C)(=O)=O)CC[N@H+](Cc2ccccc2)C1 ZINC001182408770 911594014 /nfs/dbraw/zinc/59/40/14/911594014.db2.gz GLHOTAMTJHNERG-QFIPXVFZSA-N 2 2 394.625 3.728 20 0 GHADLP CC(C)(C)[C@]1(C[NH2+]CCC(C)(C)S(C)(=O)=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001182408770 911594025 /nfs/dbraw/zinc/59/40/25/911594025.db2.gz GLHOTAMTJHNERG-QFIPXVFZSA-N 2 2 394.625 3.728 20 0 GHADLP COCC[N@H+](C)CCC[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000642342389 912000946 /nfs/dbraw/zinc/00/09/46/912000946.db2.gz FWOZXGDPXLOPNC-UHFFFAOYSA-N 2 2 381.314 3.767 20 0 GHADLP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000642342389 912000963 /nfs/dbraw/zinc/00/09/63/912000963.db2.gz FWOZXGDPXLOPNC-UHFFFAOYSA-N 2 2 381.314 3.767 20 0 GHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000642343427 912003217 /nfs/dbraw/zinc/00/32/17/912003217.db2.gz RMPPGFCHOZHBFG-BXUZGUMPSA-N 2 2 381.320 3.933 20 0 GHADLP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)c1[nH+]cnc2c1cnn2C ZINC001186999695 914967108 /nfs/dbraw/zinc/96/71/08/914967108.db2.gz SEZFNVQTTMOBSP-UHFFFAOYSA-N 2 2 386.931 3.755 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000291211511 915040342 /nfs/dbraw/zinc/04/03/42/915040342.db2.gz BIAKBWYUZVAMRH-NRFANRHFSA-N 2 2 393.535 3.979 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000291230506 915050615 /nfs/dbraw/zinc/05/06/15/915050615.db2.gz CYUZZXYAVDUJCX-UHFFFAOYSA-N 2 2 393.535 3.882 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000291293417 915084447 /nfs/dbraw/zinc/08/44/47/915084447.db2.gz JBYKNIOMHQBWIM-LAUBAEHRSA-N 2 2 393.535 3.977 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647900567 915430352 /nfs/dbraw/zinc/43/03/52/915430352.db2.gz DCWDLUGZAIVNFW-PMVMPFDFSA-N 2 2 399.579 3.603 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647900567 915430361 /nfs/dbraw/zinc/43/03/61/915430361.db2.gz DCWDLUGZAIVNFW-PMVMPFDFSA-N 2 2 399.579 3.603 20 0 GHADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000647940358 915443953 /nfs/dbraw/zinc/44/39/53/915443953.db2.gz VHRLNUMZVCTYGY-RWSFTLGLSA-N 2 2 377.838 3.745 20 0 GHADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000647940358 915443962 /nfs/dbraw/zinc/44/39/62/915443962.db2.gz VHRLNUMZVCTYGY-RWSFTLGLSA-N 2 2 377.838 3.745 20 0 GHADLP CN(C(=O)c1cccc2ccncc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000648351040 915642871 /nfs/dbraw/zinc/64/28/71/915642871.db2.gz DWJGDOFMDIZXEG-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cccc2ccncc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000648351040 915642886 /nfs/dbraw/zinc/64/28/86/915642886.db2.gz DWJGDOFMDIZXEG-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H](c3nnc[nH]3)C3CCCCC3)cc2)CC1 ZINC000293632556 916300721 /nfs/dbraw/zinc/30/07/21/916300721.db2.gz KGTQIFMTAACAJR-NRFANRHFSA-N 2 2 383.540 3.689 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(C)c(SC)c3)CC2)CC1 ZINC000650531295 917065086 /nfs/dbraw/zinc/06/50/86/917065086.db2.gz GHIVVYBQVLJENG-UHFFFAOYSA-N 2 2 390.597 3.741 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(C)c(SC)c3)CC2)CC1 ZINC000650531295 917065097 /nfs/dbraw/zinc/06/50/97/917065097.db2.gz GHIVVYBQVLJENG-UHFFFAOYSA-N 2 2 390.597 3.741 20 0 GHADLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CCc1noc3ccccc31)CC2 ZINC000653663921 918398181 /nfs/dbraw/zinc/39/81/81/918398181.db2.gz XMKRRVSKUPNAQZ-IBGZPJMESA-N 2 2 382.533 3.813 20 0 GHADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CCc1noc3ccccc31)CC2 ZINC000653663921 918398196 /nfs/dbraw/zinc/39/81/96/918398196.db2.gz XMKRRVSKUPNAQZ-IBGZPJMESA-N 2 2 382.533 3.813 20 0 GHADLP Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1-c1ccncc1 ZINC000297284696 919206503 /nfs/dbraw/zinc/20/65/03/919206503.db2.gz FHUNKAFQQKLMPR-UHFFFAOYSA-N 2 2 395.551 3.547 20 0 GHADLP Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1-c1ccncc1 ZINC000297284696 919206517 /nfs/dbraw/zinc/20/65/17/919206517.db2.gz FHUNKAFQQKLMPR-UHFFFAOYSA-N 2 2 395.551 3.547 20 0 GHADLP Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)C2=O)cc1 ZINC000800404592 920037551 /nfs/dbraw/zinc/03/75/51/920037551.db2.gz ODSFNCXUEUVHPH-KNQAVFIVSA-N 2 2 392.547 3.903 20 0 GHADLP Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)C2=O)cc1 ZINC000800404592 920037579 /nfs/dbraw/zinc/03/75/79/920037579.db2.gz ODSFNCXUEUVHPH-KNQAVFIVSA-N 2 2 392.547 3.903 20 0 GHADLP Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)C2=O)cc1 ZINC000800404594 920038134 /nfs/dbraw/zinc/03/81/34/920038134.db2.gz ODSFNCXUEUVHPH-UGKGYDQZSA-N 2 2 392.547 3.903 20 0 GHADLP Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)C2=O)cc1 ZINC000800404594 920038175 /nfs/dbraw/zinc/03/81/75/920038175.db2.gz ODSFNCXUEUVHPH-UGKGYDQZSA-N 2 2 392.547 3.903 20 0 GHADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)C2)C1 ZINC000298545551 920651920 /nfs/dbraw/zinc/65/19/20/920651920.db2.gz XCNHCOMQKGYPNW-HSZRJFAPSA-N 2 2 393.535 3.836 20 0 GHADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)C2)C1 ZINC000298545551 920651925 /nfs/dbraw/zinc/65/19/25/920651925.db2.gz XCNHCOMQKGYPNW-HSZRJFAPSA-N 2 2 393.535 3.836 20 0 GHADLP CCn1cnc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000902066416 921847070 /nfs/dbraw/zinc/84/70/70/921847070.db2.gz QDGZHBULTGAPOT-UHFFFAOYSA-N 2 2 389.547 3.515 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1nc(Br)cs1 ZINC000902502058 922241132 /nfs/dbraw/zinc/24/11/32/922241132.db2.gz LIRKZQUAIFLQGR-PPHDSNJXSA-N 2 2 394.338 3.812 20 0 GHADLP C[C@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902989964 922689601 /nfs/dbraw/zinc/68/96/01/922689601.db2.gz PKQAFVRIJOHFNW-ROUUACIJSA-N 2 2 378.476 3.533 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)C2 ZINC000368752370 922843430 /nfs/dbraw/zinc/84/34/30/922843430.db2.gz BTKCZRTXOWWKHF-INIZCTEOSA-N 2 2 384.524 3.607 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)CC2 ZINC000368752370 922843442 /nfs/dbraw/zinc/84/34/42/922843442.db2.gz BTKCZRTXOWWKHF-INIZCTEOSA-N 2 2 384.524 3.607 20 0 GHADLP CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000370307470 924023520 /nfs/dbraw/zinc/02/35/20/924023520.db2.gz HFZRIVBAVACQBE-IBGZPJMESA-N 2 2 386.584 3.684 20 0 GHADLP CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000370307470 924023532 /nfs/dbraw/zinc/02/35/32/924023532.db2.gz HFZRIVBAVACQBE-IBGZPJMESA-N 2 2 386.584 3.684 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(C)c1 ZINC000676755282 924062962 /nfs/dbraw/zinc/06/29/62/924062962.db2.gz JDGHGGDPRXQMSE-RBBKRZOGSA-N 2 2 395.551 3.511 20 0 GHADLP CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000677499953 924379034 /nfs/dbraw/zinc/37/90/34/924379034.db2.gz TUEHYCCAAAZPJV-GOSISDBHSA-N 2 2 379.508 3.598 20 0 GHADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000677499955 924379376 /nfs/dbraw/zinc/37/93/76/924379376.db2.gz TUEHYCCAAAZPJV-SFHVURJKSA-N 2 2 379.508 3.598 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000677875131 924532899 /nfs/dbraw/zinc/53/28/99/924532899.db2.gz DNOPZNABHBWNRE-AZUAARDMSA-N 2 2 391.462 3.575 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000677875131 924532908 /nfs/dbraw/zinc/53/29/08/924532908.db2.gz DNOPZNABHBWNRE-AZUAARDMSA-N 2 2 391.462 3.575 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3[nH]nc4ccccc43)C[C@@H]21 ZINC001137348553 924903813 /nfs/dbraw/zinc/90/38/13/924903813.db2.gz BQQTWDLUWINHII-DHJUGAMNSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3[nH]nc4ccccc43)C[C@@H]21 ZINC001137348553 924903824 /nfs/dbraw/zinc/90/38/24/924903824.db2.gz BQQTWDLUWINHII-DHJUGAMNSA-N 2 2 375.520 3.690 20 0 GHADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCC2 ZINC000678925236 924975860 /nfs/dbraw/zinc/97/58/60/924975860.db2.gz YGSXTLPSGOXTCR-HSZRJFAPSA-N 2 2 384.495 3.704 20 0 GHADLP Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c(N2CCCC2)[nH+]1 ZINC000679699862 925235402 /nfs/dbraw/zinc/23/54/02/925235402.db2.gz CKENGZAXJGSBLF-QFIPXVFZSA-N 2 2 392.547 3.661 20 0 GHADLP Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c(N2CCCC2)[nH+]1 ZINC000679699862 925235412 /nfs/dbraw/zinc/23/54/12/925235412.db2.gz CKENGZAXJGSBLF-QFIPXVFZSA-N 2 2 392.547 3.661 20 0 GHADLP CN(C(=O)NCC1CCC(C(C)(C)C)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681216479 925763749 /nfs/dbraw/zinc/76/37/49/925763749.db2.gz DMRDPIJLCJOCSY-GRERDSQWSA-N 2 2 392.632 3.649 20 0 GHADLP CN(C(=O)NCC1CCC(C(C)(C)C)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681216479 925763753 /nfs/dbraw/zinc/76/37/53/925763753.db2.gz DMRDPIJLCJOCSY-GRERDSQWSA-N 2 2 392.632 3.649 20 0 GHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000373498182 926195889 /nfs/dbraw/zinc/19/58/89/926195889.db2.gz XSPWLTNCYSNFBT-UHFFFAOYSA-N 2 2 378.442 3.767 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000725852237 926468843 /nfs/dbraw/zinc/46/88/43/926468843.db2.gz VOFIRYLSULVSFQ-GOSISDBHSA-N 2 2 389.503 3.589 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ncco3)cc2F)[C@H](C)C1 ZINC000411549404 926512747 /nfs/dbraw/zinc/51/27/47/926512747.db2.gz GPBPKPCQVVMFFM-UZLBHIALSA-N 2 2 375.488 3.707 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ncco3)cc2F)[C@H](C)C1 ZINC000411549404 926512754 /nfs/dbraw/zinc/51/27/54/926512754.db2.gz GPBPKPCQVVMFFM-UZLBHIALSA-N 2 2 375.488 3.707 20 0 GHADLP CC[NH+]1CCC(NC(=O)C[NH2+]C2(c3c(Cl)cccc3Cl)CCC2)CC1 ZINC000411653451 926600827 /nfs/dbraw/zinc/60/08/27/926600827.db2.gz YUQPZTVCNHVLAA-UHFFFAOYSA-N 2 2 384.351 3.563 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C2(c3c(Cl)cccc3Cl)CCC2)CC1 ZINC000411653197 926601584 /nfs/dbraw/zinc/60/15/84/926601584.db2.gz YJVGYLPVPFWBRJ-UHFFFAOYSA-N 2 2 398.378 3.951 20 0 GHADLP CN(C(=O)[C@@]1(C)C[C@@H]1c1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000412214618 927216775 /nfs/dbraw/zinc/21/67/75/927216775.db2.gz MFQQVCHGNZDOMT-AHCIIZGASA-N 2 2 397.607 3.976 20 0 GHADLP CN(C(=O)[C@@]1(C)C[C@@H]1c1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000412214618 927216789 /nfs/dbraw/zinc/21/67/89/927216789.db2.gz MFQQVCHGNZDOMT-AHCIIZGASA-N 2 2 397.607 3.976 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1=S ZINC000749800196 927278763 /nfs/dbraw/zinc/27/87/63/927278763.db2.gz QMQACUUADUXSPT-SQNIBIBYSA-N 2 2 395.617 3.543 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1=S ZINC000749800196 927278769 /nfs/dbraw/zinc/27/87/69/927278769.db2.gz QMQACUUADUXSPT-SQNIBIBYSA-N 2 2 395.617 3.543 20 0 GHADLP Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(N(C)C)[nH+]1 ZINC000750388878 927596788 /nfs/dbraw/zinc/59/67/88/927596788.db2.gz JGSWSBNDOYYKRI-SFHVURJKSA-N 2 2 381.524 3.584 20 0 GHADLP Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c(N(C)C)[nH+]1 ZINC000750388878 927596795 /nfs/dbraw/zinc/59/67/95/927596795.db2.gz JGSWSBNDOYYKRI-SFHVURJKSA-N 2 2 381.524 3.584 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C)[nH+]c1N(C)C)c1ccsc1 ZINC000750425173 927616580 /nfs/dbraw/zinc/61/65/80/927616580.db2.gz UDFHVQZBILKYFT-QGZVFWFLSA-N 2 2 375.542 3.722 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000467132652 928738521 /nfs/dbraw/zinc/73/85/21/928738521.db2.gz YLCGGSZNVNNUNC-LBPRGKRZSA-N 2 2 381.307 3.773 20 0 GHADLP COc1ccc2c(c1)[C@H](Nc1ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]1)CCS2 ZINC000467419256 929052041 /nfs/dbraw/zinc/05/20/41/929052041.db2.gz PXTMLTUZLOQMAB-QFBILLFUSA-N 2 2 384.549 3.880 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(C)cc(Br)cn23)[C@H](C)C1 ZINC000544347059 929077301 /nfs/dbraw/zinc/07/73/01/929077301.db2.gz CLHFHRCVJPLARF-RHSMWYFYSA-N 2 2 379.346 3.567 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(C)cc(Br)cn23)[C@H](C)C1 ZINC000544347059 929077313 /nfs/dbraw/zinc/07/73/13/929077313.db2.gz CLHFHRCVJPLARF-RHSMWYFYSA-N 2 2 379.346 3.567 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc3c(C)cc(Br)cn23)[C@H](C)C1 ZINC000544347059 929077326 /nfs/dbraw/zinc/07/73/26/929077326.db2.gz CLHFHRCVJPLARF-RHSMWYFYSA-N 2 2 379.346 3.567 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc3c(C)cc(Br)cn23)[C@H](C)C1 ZINC000544347059 929077334 /nfs/dbraw/zinc/07/73/34/929077334.db2.gz CLHFHRCVJPLARF-RHSMWYFYSA-N 2 2 379.346 3.567 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1nc(C(F)(F)F)cs1 ZINC000467636181 929262410 /nfs/dbraw/zinc/26/24/10/929262410.db2.gz OSWKKRNJJVHTLV-SWLSCSKDSA-N 2 2 385.455 3.579 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1nc(C(F)(F)F)cs1 ZINC000467636181 929262422 /nfs/dbraw/zinc/26/24/22/929262422.db2.gz OSWKKRNJJVHTLV-SWLSCSKDSA-N 2 2 385.455 3.579 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1ccc2c(c1)CCCC2 ZINC000546228711 929974947 /nfs/dbraw/zinc/97/49/47/929974947.db2.gz SSTJIVGBMQXUAC-INIZCTEOSA-N 2 2 398.576 3.907 20 0 GHADLP CN(C)[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000469779225 930156231 /nfs/dbraw/zinc/15/62/31/930156231.db2.gz IELGCYOPURXYDA-IBGZPJMESA-N 2 2 392.469 3.962 20 0 GHADLP O=C(c1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1)N1CCCC1 ZINC000783029257 931389976 /nfs/dbraw/zinc/38/99/76/931389976.db2.gz FXNOBEHRTYFDEA-UHFFFAOYSA-N 2 2 380.536 3.812 20 0 GHADLP CC(C)[C@@H](C[NH2+][C@@H](c1cc2ccccc2o1)c1ccccn1)N1CC[NH+](C)CC1 ZINC000924634141 931457161 /nfs/dbraw/zinc/45/71/61/931457161.db2.gz YABUKBJUJKNPMX-ZJSXRUAMSA-N 2 2 392.547 3.779 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cn2c(n1)CCCC2 ZINC000924963487 931596564 /nfs/dbraw/zinc/59/65/64/931596564.db2.gz JWAPHQAUMGWAQH-IRXDYDNUSA-N 2 2 385.531 3.522 20 0 GHADLP C[C@H](C[NH2+][C@H](c1cccnc1)c1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000924967413 931598139 /nfs/dbraw/zinc/59/81/39/931598139.db2.gz XPVMWCDYUSVTSC-FOIQADDNSA-N 2 2 393.362 3.703 20 0 GHADLP CCc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2cccnc2)cc1 ZINC000925093780 931642982 /nfs/dbraw/zinc/64/29/82/931642982.db2.gz LHGGILMTJKYFID-GBXCKJPGSA-N 2 2 379.548 3.824 20 0 GHADLP Cc1cc(C(F)F)oc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000626262035 931792034 /nfs/dbraw/zinc/79/20/34/931792034.db2.gz STGJFHKWVVPCHS-IAGOWNOFSA-N 2 2 397.510 3.935 20 0 GHADLP Cc1cc(C(F)F)oc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000626262035 931792037 /nfs/dbraw/zinc/79/20/37/931792037.db2.gz STGJFHKWVVPCHS-IAGOWNOFSA-N 2 2 397.510 3.935 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CCOCC1)c1ccccc1 ZINC000558243557 931900143 /nfs/dbraw/zinc/90/01/43/931900143.db2.gz FIVAXPYCHYPJGX-SZMVWBNQSA-N 2 2 386.458 3.586 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(OC(F)F)cc1OC(F)F ZINC000925779792 931901584 /nfs/dbraw/zinc/90/15/84/931901584.db2.gz PKRHUHYQJDBXPS-ZJUUUORDSA-N 2 2 386.336 3.785 20 0 GHADLP COc1cc([C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)ccc1SC(F)F ZINC000925795775 931906303 /nfs/dbraw/zinc/90/63/03/931906303.db2.gz KQTIGYJNDPPFGN-UKRRQHHQSA-N 2 2 386.508 3.819 20 0 GHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000784518482 931923052 /nfs/dbraw/zinc/92/30/52/931923052.db2.gz UUNYAJUWXYMPKH-KRWDZBQOSA-N 2 2 393.322 3.975 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H]2CCCN(c3ccc(F)cc3C)C2=O)CC1 ZINC000558476916 932025020 /nfs/dbraw/zinc/02/50/20/932025020.db2.gz ZYXKAHOMAUFUAQ-OAQYLSRUSA-N 2 2 397.494 3.876 20 0 GHADLP Cc1cc(Br)cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1OC(F)F ZINC000558493676 932033851 /nfs/dbraw/zinc/03/38/51/932033851.db2.gz HWKDVGLAWNMIRR-GFCCVEGCSA-N 2 2 386.240 3.729 20 0 GHADLP Cc1cccc([C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)c2ccccn2)c1 ZINC000926436325 932181370 /nfs/dbraw/zinc/18/13/70/932181370.db2.gz VUKSCYCCJFOVEA-XMMPIXPASA-N 2 2 390.531 3.995 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3cnn(C4CCC4)c3)CC2)cc1 ZINC000926529034 932218206 /nfs/dbraw/zinc/21/82/06/932218206.db2.gz UDVLQRZBCYVGPX-QGZVFWFLSA-N 2 2 395.551 3.882 20 0 GHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927091047 932406485 /nfs/dbraw/zinc/40/64/85/932406485.db2.gz FUXIVBAFZHDTCX-UHFFFAOYSA-N 2 2 378.476 3.606 20 0 GHADLP CCc1oc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1C(=O)OC ZINC000559068715 932409571 /nfs/dbraw/zinc/40/95/71/932409571.db2.gz KFNQWHUFPRAQTL-HNNXBMFYSA-N 2 2 376.522 3.692 20 0 GHADLP CCc1oc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1C(=O)OC ZINC000559068715 932409573 /nfs/dbraw/zinc/40/95/73/932409573.db2.gz KFNQWHUFPRAQTL-HNNXBMFYSA-N 2 2 376.522 3.692 20 0 GHADLP CN(C(=O)N[C@H]1CC2CCC1CC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000559158311 932472059 /nfs/dbraw/zinc/47/20/59/932472059.db2.gz ZFIBADPXANQYIH-ARKNQYIKSA-N 2 2 390.616 3.544 20 0 GHADLP CN(C(=O)N[C@H]1CC2CCC1CC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000559158311 932472064 /nfs/dbraw/zinc/47/20/64/932472064.db2.gz ZFIBADPXANQYIH-ARKNQYIKSA-N 2 2 390.616 3.544 20 0 GHADLP CN(C(=O)C[C@H]1CCC(F)(F)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000797958368 932472158 /nfs/dbraw/zinc/47/21/58/932472158.db2.gz XDFAFEGFOQVIGX-BHIYHBOVSA-N 2 2 385.543 3.608 20 0 GHADLP CN(C(=O)C[C@H]1CCC(F)(F)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000797958368 932472163 /nfs/dbraw/zinc/47/21/63/932472163.db2.gz XDFAFEGFOQVIGX-BHIYHBOVSA-N 2 2 385.543 3.608 20 0 GHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798401238 932631983 /nfs/dbraw/zinc/63/19/83/932631983.db2.gz MEOHUZOSOGZILH-QFIPXVFZSA-N 2 2 378.524 3.905 20 0 GHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798401238 932631992 /nfs/dbraw/zinc/63/19/92/932631992.db2.gz MEOHUZOSOGZILH-QFIPXVFZSA-N 2 2 378.524 3.905 20 0 GHADLP C[C@@]1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000798526388 932691047 /nfs/dbraw/zinc/69/10/47/932691047.db2.gz QFEKSBSOJHTPJM-DEOSSOPVSA-N 2 2 388.515 3.573 20 0 GHADLP C[C@@]1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798526388 932691049 /nfs/dbraw/zinc/69/10/49/932691049.db2.gz QFEKSBSOJHTPJM-DEOSSOPVSA-N 2 2 388.515 3.573 20 0 GHADLP BrC1=CCC[NH+](CCCC[N@H+]2CCC=C(Br)C2)C1 ZINC000799326505 932951223 /nfs/dbraw/zinc/95/12/23/932951223.db2.gz SPBRCZDIXVPLGG-UHFFFAOYSA-N 2 2 378.152 3.736 20 0 GHADLP BrC1=CCC[NH+](CCCC[N@@H+]2CCC=C(Br)C2)C1 ZINC000799326505 932951230 /nfs/dbraw/zinc/95/12/30/932951230.db2.gz SPBRCZDIXVPLGG-UHFFFAOYSA-N 2 2 378.152 3.736 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC(OCC4CCCC4)CC3)C2)cc1 ZINC000560159339 933099623 /nfs/dbraw/zinc/09/96/23/933099623.db2.gz IGSLBWMQACDLMC-DEOSSOPVSA-N 2 2 386.580 3.949 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC(OCC4CCCC4)CC3)C2)cc1 ZINC000560159339 933099629 /nfs/dbraw/zinc/09/96/29/933099629.db2.gz IGSLBWMQACDLMC-DEOSSOPVSA-N 2 2 386.580 3.949 20 0 GHADLP Cc1cnc(C2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)s1 ZINC000560192072 933120658 /nfs/dbraw/zinc/12/06/58/933120658.db2.gz KIWWPCXHHXVYHW-OAQYLSRUSA-N 2 2 385.577 3.922 20 0 GHADLP Cc1cnc(C2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)s1 ZINC000560192072 933120662 /nfs/dbraw/zinc/12/06/62/933120662.db2.gz KIWWPCXHHXVYHW-OAQYLSRUSA-N 2 2 385.577 3.922 20 0 GHADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)c1ccccc1-n1ccnn1 ZINC000560524608 933312340 /nfs/dbraw/zinc/31/23/40/933312340.db2.gz IGCRVRHDQJANJI-SFHVURJKSA-N 2 2 385.581 3.670 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(F)cc1Br ZINC001116066245 933314791 /nfs/dbraw/zinc/31/47/91/933314791.db2.gz ZIAKKBPJXPBKAL-UHFFFAOYSA-N 2 2 375.201 3.730 20 0 GHADLP COc1cc(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)ccc1F ZINC001117794922 934028256 /nfs/dbraw/zinc/02/82/56/934028256.db2.gz ROCADRRTRMPBJL-UHFFFAOYSA-N 2 2 385.483 3.547 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+][C@H]3[C@H](C)CCC[C@@H]3C)n2)CC1 ZINC001117990919 934073341 /nfs/dbraw/zinc/07/33/41/934073341.db2.gz FZTNVIZVZXUEDF-MNZLEMJZSA-N 2 2 378.586 3.728 20 0 GHADLP O=C(C[NH2+][C@H]1CCCCC12CCCC2)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000562284684 934805539 /nfs/dbraw/zinc/80/55/39/934805539.db2.gz RHPDLIPTQAQXOO-NRFANRHFSA-N 2 2 385.552 3.550 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4cccc5ncccc45)CC3)C2)co1 ZINC001137625977 935639782 /nfs/dbraw/zinc/63/97/82/935639782.db2.gz WZBZIIASSBUNEF-UHFFFAOYSA-N 2 2 377.488 3.695 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc5ncccc45)CC3)C2)co1 ZINC001137625977 935639784 /nfs/dbraw/zinc/63/97/84/935639784.db2.gz WZBZIIASSBUNEF-UHFFFAOYSA-N 2 2 377.488 3.695 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C2CC[NH+](CC(C)C)CC2)c(C)c1 ZINC001137730756 935754119 /nfs/dbraw/zinc/75/41/19/935754119.db2.gz UADILUGHKOUYIW-QFIPXVFZSA-N 2 2 382.552 3.725 20 0 GHADLP CCOC(=O)n1nc2c(c1Nc1ccc3c(c1)[nH]c1cc[nH+]cc13)C[NH2+]C2(C)C ZINC001170761220 1014948493 /nfs/dbraw/zinc/94/84/93/1014948493.db2.gz NTNDKYGILXURAB-UHFFFAOYSA-N 2 2 390.447 3.999 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000468412859 1015683202 /nfs/dbraw/zinc/68/32/02/1015683202.db2.gz QKPATQYGLAYPEZ-NRFANRHFSA-N 2 2 384.568 3.721 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000468412859 1015683209 /nfs/dbraw/zinc/68/32/09/1015683209.db2.gz QKPATQYGLAYPEZ-NRFANRHFSA-N 2 2 384.568 3.721 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000545420827 1015860430 /nfs/dbraw/zinc/86/04/30/1015860430.db2.gz OQXZDUZVDMWYBW-HKUYNNGSSA-N 2 2 390.890 3.505 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000545420827 1015860436 /nfs/dbraw/zinc/86/04/36/1015860436.db2.gz OQXZDUZVDMWYBW-HKUYNNGSSA-N 2 2 390.890 3.505 20 0 GHADLP C[NH2+]CC1CC[NH+](Cc2scc(Br)c2Br)CC1 ZINC001235679842 1041140229 /nfs/dbraw/zinc/14/02/29/1041140229.db2.gz OGWRLAPOHIGSFC-UHFFFAOYSA-N 2 2 382.165 3.705 20 0 GHADLP Fc1cc(F)cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001204230054 1032676368 /nfs/dbraw/zinc/67/63/68/1032676368.db2.gz OUDYYNIFVAPNHD-UHFFFAOYSA-N 2 2 378.488 3.893 20 0 GHADLP Fc1cc(F)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001204230054 1032676383 /nfs/dbraw/zinc/67/63/83/1032676383.db2.gz OUDYYNIFVAPNHD-UHFFFAOYSA-N 2 2 378.488 3.893 20 0 GHADLP COc1cc(Cl)c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1Cl ZINC000558421898 1017194571 /nfs/dbraw/zinc/19/45/71/1017194571.db2.gz DOXIQPZRVSTYDZ-SJPCQFCGSA-N 2 2 398.378 3.745 20 0 GHADLP COc1cc(Cl)c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1Cl ZINC000558421898 1017194578 /nfs/dbraw/zinc/19/45/78/1017194578.db2.gz DOXIQPZRVSTYDZ-SJPCQFCGSA-N 2 2 398.378 3.745 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC([NH2+]C4CCC4)CC3)n2)C1 ZINC000929332218 1017666991 /nfs/dbraw/zinc/66/69/91/1017666991.db2.gz OHJWFSNGNRWKPC-HNNXBMFYSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC([NH2+]C4CCC4)CC3)n2)C1 ZINC000929332218 1017666996 /nfs/dbraw/zinc/66/69/96/1017666996.db2.gz OHJWFSNGNRWKPC-HNNXBMFYSA-N 2 2 391.585 3.513 20 0 GHADLP Cc1cc(Br)cn2c(CN(CC[NH+](C)C)Cc3ccco3)c[nH+]c12 ZINC000561980675 1017996806 /nfs/dbraw/zinc/99/68/06/1017996806.db2.gz VKEXDTWUHMEUSZ-UHFFFAOYSA-N 2 2 391.313 3.562 20 0 GHADLP CC(C)[C@@H]1N(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC12CCCCCC2 ZINC001228041559 1032749241 /nfs/dbraw/zinc/74/92/41/1032749241.db2.gz AFVSAEGHSKGGGX-CTNGQTDRSA-N 2 2 390.616 3.545 20 0 GHADLP CC(C)[C@@H]1N(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC12CCCCCC2 ZINC001228041559 1032749249 /nfs/dbraw/zinc/74/92/49/1032749249.db2.gz AFVSAEGHSKGGGX-CTNGQTDRSA-N 2 2 390.616 3.545 20 0 GHADLP Cc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)cc1C ZINC001204356835 1032792768 /nfs/dbraw/zinc/79/27/68/1032792768.db2.gz HNHXMGSSNXNAKP-HXUWFJFHSA-N 2 2 387.568 3.867 20 0 GHADLP Cc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)cc1C ZINC001204356835 1032792783 /nfs/dbraw/zinc/79/27/83/1032792783.db2.gz HNHXMGSSNXNAKP-HXUWFJFHSA-N 2 2 387.568 3.867 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000568433650 1019406438 /nfs/dbraw/zinc/40/64/38/1019406438.db2.gz UNPWWVPGEKFZIC-TZIWHRDSSA-N 2 2 395.551 3.668 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000568433650 1019406445 /nfs/dbraw/zinc/40/64/45/1019406445.db2.gz UNPWWVPGEKFZIC-TZIWHRDSSA-N 2 2 395.551 3.668 20 0 GHADLP CC(=O)n1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c2ccccc21 ZINC001204410035 1032834273 /nfs/dbraw/zinc/83/42/73/1032834273.db2.gz ZDYSFIGBXVDESC-QHCPKHFHSA-N 2 2 383.536 3.624 20 0 GHADLP CC(=O)n1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c2ccccc21 ZINC001204410035 1032834292 /nfs/dbraw/zinc/83/42/92/1032834292.db2.gz ZDYSFIGBXVDESC-QHCPKHFHSA-N 2 2 383.536 3.624 20 0 GHADLP CC(=O)n1cc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c2ccccc21 ZINC001204410035 1032834311 /nfs/dbraw/zinc/83/43/11/1032834311.db2.gz ZDYSFIGBXVDESC-QHCPKHFHSA-N 2 2 383.536 3.624 20 0 GHADLP CC(=O)n1cc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c2ccccc21 ZINC001204410035 1032834330 /nfs/dbraw/zinc/83/43/30/1032834330.db2.gz ZDYSFIGBXVDESC-QHCPKHFHSA-N 2 2 383.536 3.624 20 0 GHADLP Clc1cccc(Cl)c1CCC[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000569723716 1019505912 /nfs/dbraw/zinc/50/59/12/1019505912.db2.gz MWIBGQKNJZCWOU-UHFFFAOYSA-N 2 2 394.350 3.500 20 0 GHADLP CCn1c(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)nc2cc(Br)ccc21 ZINC000628251727 1020681817 /nfs/dbraw/zinc/68/18/17/1020681817.db2.gz SWYROSQVTXLWFS-CQSZACIVSA-N 2 2 379.346 3.781 20 0 GHADLP CCn1c(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)nc2cc(Br)ccc21 ZINC000628251727 1020681820 /nfs/dbraw/zinc/68/18/20/1020681820.db2.gz SWYROSQVTXLWFS-CQSZACIVSA-N 2 2 379.346 3.781 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4cccc(F)c4C)CC[C@@H]3C2)cs1 ZINC001204510787 1032940634 /nfs/dbraw/zinc/94/06/34/1032940634.db2.gz MQDPQAQJWUVRIB-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4cccc(F)c4C)CC[C@@H]3C2)cs1 ZINC001204510787 1032940640 /nfs/dbraw/zinc/94/06/40/1032940640.db2.gz MQDPQAQJWUVRIB-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4cccc(F)c4C)CC[C@@H]3C2)cs1 ZINC001204510787 1032940643 /nfs/dbraw/zinc/94/06/43/1032940643.db2.gz MQDPQAQJWUVRIB-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4cccc(F)c4C)CC[C@@H]3C2)cs1 ZINC001204510787 1032940646 /nfs/dbraw/zinc/94/06/46/1032940646.db2.gz MQDPQAQJWUVRIB-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP COc1ccc2c(C[N@H+](C)C3CC[NH+](C)CC3)cn(C(=O)OC(C)(C)C)c2c1 ZINC001140367431 1021508290 /nfs/dbraw/zinc/50/82/90/1021508290.db2.gz MZRPKIAKWHMTIZ-UHFFFAOYSA-N 2 2 387.524 3.959 20 0 GHADLP COc1ccc2c(C[N@@H+](C)C3CC[NH+](C)CC3)cn(C(=O)OC(C)(C)C)c2c1 ZINC001140367431 1021508297 /nfs/dbraw/zinc/50/82/97/1021508297.db2.gz MZRPKIAKWHMTIZ-UHFFFAOYSA-N 2 2 387.524 3.959 20 0 GHADLP CN(C(=O)c1cc2ccsc2[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677291117 1021814753 /nfs/dbraw/zinc/81/47/53/1021814753.db2.gz UJSDZXBYJKFGAC-RTBURBONSA-N 2 2 388.581 3.639 20 0 GHADLP CN(C(=O)c1cc2ccsc2[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677291117 1021814770 /nfs/dbraw/zinc/81/47/70/1021814770.db2.gz UJSDZXBYJKFGAC-RTBURBONSA-N 2 2 388.581 3.639 20 0 GHADLP CC(C)c1cccc(-c2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)o2)c1 ZINC000678964164 1021946285 /nfs/dbraw/zinc/94/62/85/1021946285.db2.gz KVVSRVAGRPSNAI-HXUWFJFHSA-N 2 2 395.547 3.968 20 0 GHADLP CC(C)c1cccc(-c2ccc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)o2)c1 ZINC000678964164 1021946293 /nfs/dbraw/zinc/94/62/93/1021946293.db2.gz KVVSRVAGRPSNAI-HXUWFJFHSA-N 2 2 395.547 3.968 20 0 GHADLP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Br)ccc1Br)CC2 ZINC001140634692 1022119809 /nfs/dbraw/zinc/11/98/09/1022119809.db2.gz NXYGMCSDHODRGK-UHFFFAOYSA-N 2 2 388.147 3.739 20 0 GHADLP c1sc2ccccc2c1C[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001140639304 1022128768 /nfs/dbraw/zinc/12/87/68/1022128768.db2.gz SIXJKIJMWQYDHW-UHFFFAOYSA-N 2 2 379.533 3.614 20 0 GHADLP COC(=O)Cc1ccccc1C[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001140654266 1022170358 /nfs/dbraw/zinc/17/03/58/1022170358.db2.gz YHFOYGLTHWESIK-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP COC(=O)Cc1ccccc1C[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001140654266 1022170365 /nfs/dbraw/zinc/17/03/65/1022170365.db2.gz YHFOYGLTHWESIK-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000754897296 1022956187 /nfs/dbraw/zinc/95/61/87/1022956187.db2.gz FXOQGPJUIMSDEX-AZUAARDMSA-N 2 2 381.923 3.607 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000754897296 1022956192 /nfs/dbraw/zinc/95/61/92/1022956192.db2.gz FXOQGPJUIMSDEX-AZUAARDMSA-N 2 2 381.923 3.607 20 0 GHADLP CCCCc1[nH]c(C[NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)c[nH+]1 ZINC001141070823 1023423405 /nfs/dbraw/zinc/42/34/05/1023423405.db2.gz PZUYTDWZDPOUBL-IBGZPJMESA-N 2 2 375.557 3.798 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001204896477 1033151453 /nfs/dbraw/zinc/15/14/53/1033151453.db2.gz JTDUOLYXPSPNEH-GOSISDBHSA-N 2 2 392.522 3.590 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001204896477 1033151457 /nfs/dbraw/zinc/15/14/57/1033151457.db2.gz JTDUOLYXPSPNEH-GOSISDBHSA-N 2 2 392.522 3.590 20 0 GHADLP CN(C(=O)NC[C@@H]1CCCC1(C)C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001228897205 1033165954 /nfs/dbraw/zinc/16/59/54/1033165954.db2.gz WOYXCCSHTRHCAB-TYPHKJRUSA-N 2 2 392.632 3.791 20 0 GHADLP CN(C(=O)NC[C@@H]1CCCC1(C)C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001228897205 1033165959 /nfs/dbraw/zinc/16/59/59/1033165959.db2.gz WOYXCCSHTRHCAB-TYPHKJRUSA-N 2 2 392.632 3.791 20 0 GHADLP CC1(C)CCc2cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)ccc2O1 ZINC001141183112 1024030666 /nfs/dbraw/zinc/03/06/66/1024030666.db2.gz RGWOJPXBWNFRIN-NHCUHLMSSA-N 2 2 377.532 3.749 20 0 GHADLP Fc1ccc(-c2cccc(C[N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001141207217 1024131242 /nfs/dbraw/zinc/13/12/42/1024131242.db2.gz SSULJGGUHFXZOO-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001141207217 1024131249 /nfs/dbraw/zinc/13/12/49/1024131249.db2.gz SSULJGGUHFXZOO-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(-c2cccc(C[NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001141207217 1024131254 /nfs/dbraw/zinc/13/12/54/1024131254.db2.gz SSULJGGUHFXZOO-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(-c2cccc(C[NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001141207217 1024131261 /nfs/dbraw/zinc/13/12/61/1024131261.db2.gz SSULJGGUHFXZOO-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP Cn1c2ccccc2nc1C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2[NH+](C)Cc1ccccn1 ZINC001138379381 1024746777 /nfs/dbraw/zinc/74/67/77/1024746777.db2.gz PKPMCBYYBUSNFP-KAGYGMCKSA-N 2 2 389.547 3.701 20 0 GHADLP Cn1c2ccccc2nc1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2[NH+](C)Cc1ccccn1 ZINC001138379381 1024746790 /nfs/dbraw/zinc/74/67/90/1024746790.db2.gz PKPMCBYYBUSNFP-KAGYGMCKSA-N 2 2 389.547 3.701 20 0 GHADLP Cn1c2ccccc2nc1C[NH+]1C[C@H]2[C@@H](C1)CCC[C@H]2[N@H+](C)Cc1ccccn1 ZINC001138379381 1024746798 /nfs/dbraw/zinc/74/67/98/1024746798.db2.gz PKPMCBYYBUSNFP-KAGYGMCKSA-N 2 2 389.547 3.701 20 0 GHADLP Cn1c2ccccc2nc1C[NH+]1C[C@H]2[C@@H](C1)CCC[C@H]2[N@@H+](C)Cc1ccccn1 ZINC001138379381 1024746806 /nfs/dbraw/zinc/74/68/06/1024746806.db2.gz PKPMCBYYBUSNFP-KAGYGMCKSA-N 2 2 389.547 3.701 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4cccc(C)c4C)CC[C@@H]3C2)cs1 ZINC001205082853 1033241747 /nfs/dbraw/zinc/24/17/47/1033241747.db2.gz NPIZWSKWMGBRHP-IFMALSPDSA-N 2 2 385.577 3.791 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4cccc(C)c4C)CC[C@@H]3C2)cs1 ZINC001205082853 1033241754 /nfs/dbraw/zinc/24/17/54/1033241754.db2.gz NPIZWSKWMGBRHP-IFMALSPDSA-N 2 2 385.577 3.791 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4cccc(C)c4C)CC[C@@H]3C2)cs1 ZINC001205082853 1033241774 /nfs/dbraw/zinc/24/17/74/1033241774.db2.gz NPIZWSKWMGBRHP-IFMALSPDSA-N 2 2 385.577 3.791 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4cccc(C)c4C)CC[C@@H]3C2)cs1 ZINC001205082853 1033241786 /nfs/dbraw/zinc/24/17/86/1033241786.db2.gz NPIZWSKWMGBRHP-IFMALSPDSA-N 2 2 385.577 3.791 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C(F)(F)F)nc1C)C2 ZINC001141426832 1025012099 /nfs/dbraw/zinc/01/20/99/1025012099.db2.gz RYTAYHUPPRVJMA-ICSRJNTNSA-N 2 2 397.485 3.589 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C(F)(F)F)nc1C)C2 ZINC001141426832 1025012115 /nfs/dbraw/zinc/01/21/15/1025012115.db2.gz RYTAYHUPPRVJMA-ICSRJNTNSA-N 2 2 397.485 3.589 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C(F)(F)F)nc1C)C2 ZINC001141426832 1025012130 /nfs/dbraw/zinc/01/21/30/1025012130.db2.gz RYTAYHUPPRVJMA-ICSRJNTNSA-N 2 2 397.485 3.589 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C(F)(F)F)nc1C)C2 ZINC001141426832 1025012144 /nfs/dbraw/zinc/01/21/44/1025012144.db2.gz RYTAYHUPPRVJMA-ICSRJNTNSA-N 2 2 397.485 3.589 20 0 GHADLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccn3-c3ccccc3F)C2)C1 ZINC001138630206 1025133011 /nfs/dbraw/zinc/13/30/11/1025133011.db2.gz CSGLESUVEINGAG-HYBUGGRVSA-N 2 2 397.538 3.797 20 0 GHADLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccn3-c3ccccc3F)C2)C1 ZINC001138630206 1025133021 /nfs/dbraw/zinc/13/30/21/1025133021.db2.gz CSGLESUVEINGAG-HYBUGGRVSA-N 2 2 397.538 3.797 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cccn3-c3ccccc3F)C2)C1 ZINC001138630206 1025133032 /nfs/dbraw/zinc/13/30/32/1025133032.db2.gz CSGLESUVEINGAG-HYBUGGRVSA-N 2 2 397.538 3.797 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cccn3-c3ccccc3F)C2)C1 ZINC001138630206 1025133046 /nfs/dbraw/zinc/13/30/46/1025133046.db2.gz CSGLESUVEINGAG-HYBUGGRVSA-N 2 2 397.538 3.797 20 0 GHADLP CCn1nc(C)c(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)c1C ZINC001138642702 1025149951 /nfs/dbraw/zinc/14/99/51/1025149951.db2.gz KUTHJGOBZJKIFY-UHFFFAOYSA-N 2 2 385.556 3.755 20 0 GHADLP CCn1nc(C)c(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)c1C ZINC001138642702 1025149957 /nfs/dbraw/zinc/14/99/57/1025149957.db2.gz KUTHJGOBZJKIFY-UHFFFAOYSA-N 2 2 385.556 3.755 20 0 GHADLP COc1ccccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001205155875 1033277754 /nfs/dbraw/zinc/27/77/54/1033277754.db2.gz GGXQEKSPGLTTGU-UHFFFAOYSA-N 2 2 378.419 3.710 20 0 GHADLP COc1ccccc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001205155875 1033277766 /nfs/dbraw/zinc/27/77/66/1033277766.db2.gz GGXQEKSPGLTTGU-UHFFFAOYSA-N 2 2 378.419 3.710 20 0 GHADLP COc1ccc([C@H](CNc2nc3ccccc3n3c[nH+]cc23)[NH+](C)C)cc1OC ZINC001161941807 1025507024 /nfs/dbraw/zinc/50/70/24/1025507024.db2.gz QVLKETRYIZFHTG-SFHVURJKSA-N 2 2 391.475 3.615 20 0 GHADLP COC[C@H](C)[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1cccc(OC)c1 ZINC001139059175 1025848661 /nfs/dbraw/zinc/84/86/61/1025848661.db2.gz NXNJBBYUYBVOCR-FQEVSTJZSA-N 2 2 398.547 3.565 20 0 GHADLP COC[C@H](C)[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1cccc(OC)c1 ZINC001139059175 1025848684 /nfs/dbraw/zinc/84/86/84/1025848684.db2.gz NXNJBBYUYBVOCR-FQEVSTJZSA-N 2 2 398.547 3.565 20 0 GHADLP O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccco1 ZINC000839507101 1025993604 /nfs/dbraw/zinc/99/36/04/1025993604.db2.gz FAHAVCWHQLLLJC-YADHBBJMSA-N 2 2 384.520 3.590 20 0 GHADLP O[C@@H](C[C@@H]1COCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccco1 ZINC000839507101 1025993610 /nfs/dbraw/zinc/99/36/10/1025993610.db2.gz FAHAVCWHQLLLJC-YADHBBJMSA-N 2 2 384.520 3.590 20 0 GHADLP COC(=O)c1ccc(-c2ccc(Nc3ccc([C@@H](C[NH3+])CO)cc3)[nH+]c2C)cc1 ZINC001163054034 1026026540 /nfs/dbraw/zinc/02/65/40/1026026540.db2.gz VYBPMDNWUMBUDB-IBGZPJMESA-N 2 2 391.471 3.622 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc4ccn(C)c4c2)CC3)n1 ZINC001139205805 1026053948 /nfs/dbraw/zinc/05/39/48/1026053948.db2.gz HZEODEGBXZUUQG-UHFFFAOYSA-N 2 2 377.536 3.542 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2ccc4ccn(C)c4c2)CC3)n1 ZINC001139205805 1026053962 /nfs/dbraw/zinc/05/39/62/1026053962.db2.gz HZEODEGBXZUUQG-UHFFFAOYSA-N 2 2 377.536 3.542 20 0 GHADLP CN(C)c1ccc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cn1 ZINC001139456375 1026322708 /nfs/dbraw/zinc/32/27/08/1026322708.db2.gz CJGOVDAWBFVOOQ-UHFFFAOYSA-N 2 2 381.911 3.671 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)Cc2ccccc2N2CCOCC2)CC1 ZINC001139508697 1026362625 /nfs/dbraw/zinc/36/26/25/1026362625.db2.gz SQSPKGWPVVASOT-UHFFFAOYSA-N 2 2 397.538 3.759 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)Cc2ccccc2N2CCOCC2)CC1 ZINC001139508697 1026362635 /nfs/dbraw/zinc/36/26/35/1026362635.db2.gz SQSPKGWPVVASOT-UHFFFAOYSA-N 2 2 397.538 3.759 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(OC)c(C(C)C)c3)CC2)C1 ZINC001139623782 1026491092 /nfs/dbraw/zinc/49/10/92/1026491092.db2.gz DPHPKQDBFCCCEE-LJQANCHMSA-N 2 2 388.552 3.668 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(OC)c(C(C)C)c3)CC2)C1 ZINC001139623782 1026491098 /nfs/dbraw/zinc/49/10/98/1026491098.db2.gz DPHPKQDBFCCCEE-LJQANCHMSA-N 2 2 388.552 3.668 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(N[C@@H]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@@H]43)c2)C1 ZINC001164499949 1026536818 /nfs/dbraw/zinc/53/68/18/1026536818.db2.gz WCUDIYFXKQXFSL-TVYALGDOSA-N 3 2 390.575 3.542 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(N[C@@H]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@@H]43)c2)C1 ZINC001164499949 1026536822 /nfs/dbraw/zinc/53/68/22/1026536822.db2.gz WCUDIYFXKQXFSL-TVYALGDOSA-N 3 2 390.575 3.542 20 0 GHADLP [NH3+][C@@H]1CC[NH+](Cc2cccc(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2)C1 ZINC001164499949 1026536826 /nfs/dbraw/zinc/53/68/26/1026536826.db2.gz WCUDIYFXKQXFSL-TVYALGDOSA-N 3 2 390.575 3.542 20 0 GHADLP [NH3+][C@@H]1CC[NH+](Cc2cccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2)C1 ZINC001164499949 1026536831 /nfs/dbraw/zinc/53/68/31/1026536831.db2.gz WCUDIYFXKQXFSL-TVYALGDOSA-N 3 2 390.575 3.542 20 0 GHADLP c1csc(C2CC[NH+](Cc3cccc(OCC[NH+]4CCOCC4)c3)CC2)c1 ZINC001139766588 1026602427 /nfs/dbraw/zinc/60/24/27/1026602427.db2.gz KRLRDMGRCDERTK-UHFFFAOYSA-N 2 2 386.561 3.839 20 0 GHADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)c12 ZINC001165431560 1026726363 /nfs/dbraw/zinc/72/63/63/1026726363.db2.gz FUGNYGQUBSWMCP-RTBURBONSA-N 2 2 393.510 3.610 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001140021918 1026806661 /nfs/dbraw/zinc/80/66/61/1026806661.db2.gz UEOPYSGUUDWHSF-QUCCMNQESA-N 2 2 396.535 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001140021918 1026806669 /nfs/dbraw/zinc/80/66/69/1026806669.db2.gz UEOPYSGUUDWHSF-QUCCMNQESA-N 2 2 396.535 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001140024678 1026812407 /nfs/dbraw/zinc/81/24/07/1026812407.db2.gz GPQJYKWROJQMED-QFIPXVFZSA-N 2 2 392.528 3.871 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001140024678 1026812416 /nfs/dbraw/zinc/81/24/16/1026812416.db2.gz GPQJYKWROJQMED-QFIPXVFZSA-N 2 2 392.528 3.871 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)cc12 ZINC001461153996 1069415737 /nfs/dbraw/zinc/41/57/37/1069415737.db2.gz WIVZKUXEZNTSTG-GOSISDBHSA-N 2 2 397.954 3.584 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)cc12 ZINC001461153996 1069415739 /nfs/dbraw/zinc/41/57/39/1069415739.db2.gz WIVZKUXEZNTSTG-GOSISDBHSA-N 2 2 397.954 3.584 20 0 GHADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001461167912 1069423720 /nfs/dbraw/zinc/42/37/20/1069423720.db2.gz MDCZANJOUYZYFA-UHFFFAOYSA-N 2 2 398.860 3.795 20 0 GHADLP Cc1ccc(Cl)c(O[C@@H]2CCCN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)C2)c1 ZINC001166585099 1027034460 /nfs/dbraw/zinc/03/44/60/1027034460.db2.gz RUMFCXDCJCISBC-GOSISDBHSA-N 2 2 386.927 3.501 20 0 GHADLP Cc1cccn2cc(C[NH+]3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc12 ZINC001209739195 1027131251 /nfs/dbraw/zinc/13/12/51/1027131251.db2.gz JGZCLLDZCOCNHK-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2cc(C[NH+]3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc12 ZINC001209739195 1027131259 /nfs/dbraw/zinc/13/12/59/1027131259.db2.gz JGZCLLDZCOCNHK-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2cc(C[N@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)nc12 ZINC001209739195 1027131268 /nfs/dbraw/zinc/13/12/68/1027131268.db2.gz JGZCLLDZCOCNHK-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2cc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)nc12 ZINC001209739195 1027131279 /nfs/dbraw/zinc/13/12/79/1027131279.db2.gz JGZCLLDZCOCNHK-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP CN(C)c1ccccc1C[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001209778434 1027188459 /nfs/dbraw/zinc/18/84/59/1027188459.db2.gz APTBFALSQWUJSS-UHFFFAOYSA-N 2 2 385.309 3.762 20 0 GHADLP Cc1ccc(Nc2cc3cccc4c3c(c2)C(=O)N(CC[NH+](C)C)C4=O)c(C)[nH+]1 ZINC001203376084 1027299473 /nfs/dbraw/zinc/29/94/73/1027299473.db2.gz JSBAIBZFOLBHPM-UHFFFAOYSA-N 2 2 388.471 3.753 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1OC ZINC001203849831 1027655495 /nfs/dbraw/zinc/65/54/95/1027655495.db2.gz GNHRIWQWTUPKTH-RTWAWAEBSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1OC ZINC001203849831 1027655503 /nfs/dbraw/zinc/65/55/03/1027655503.db2.gz GNHRIWQWTUPKTH-RTWAWAEBSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1OC ZINC001203849831 1027655508 /nfs/dbraw/zinc/65/55/08/1027655508.db2.gz GNHRIWQWTUPKTH-RTWAWAEBSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1OC ZINC001203849831 1027655516 /nfs/dbraw/zinc/65/55/16/1027655516.db2.gz GNHRIWQWTUPKTH-RTWAWAEBSA-N 2 2 396.531 3.666 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccccc3-c3ccccc3)C2)C1 ZINC001142334891 1028714035 /nfs/dbraw/zinc/71/40/35/1028714035.db2.gz MGLBFMCZIWWZSK-RUZDIDTESA-N 2 2 394.559 3.914 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccccc3-c3ccccc3)C2)C1 ZINC001142334891 1028714051 /nfs/dbraw/zinc/71/40/51/1028714051.db2.gz MGLBFMCZIWWZSK-RUZDIDTESA-N 2 2 394.559 3.914 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccccc3-c3ccccc3)C2)C1 ZINC001142334891 1028714063 /nfs/dbraw/zinc/71/40/63/1028714063.db2.gz MGLBFMCZIWWZSK-RUZDIDTESA-N 2 2 394.559 3.914 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccccc3-c3ccccc3)C2)C1 ZINC001142334891 1028714073 /nfs/dbraw/zinc/71/40/73/1028714073.db2.gz MGLBFMCZIWWZSK-RUZDIDTESA-N 2 2 394.559 3.914 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]cc2-c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC001214671841 1028850172 /nfs/dbraw/zinc/85/01/72/1028850172.db2.gz NABLZPXZFHYOOK-UHFFFAOYSA-N 2 2 389.381 3.569 20 0 GHADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cn2ccc(Br)cc2n1 ZINC001143046631 1029809908 /nfs/dbraw/zinc/80/99/08/1029809908.db2.gz CLRDCQDEMGXILK-ZWKOTPCHSA-N 2 2 391.357 3.936 20 0 GHADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cn2ccc(Br)cc2n1 ZINC001143046631 1029809917 /nfs/dbraw/zinc/80/99/17/1029809917.db2.gz CLRDCQDEMGXILK-ZWKOTPCHSA-N 2 2 391.357 3.936 20 0 GHADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cn2ccc(Br)cc2n1 ZINC001143046631 1029809929 /nfs/dbraw/zinc/80/99/29/1029809929.db2.gz CLRDCQDEMGXILK-ZWKOTPCHSA-N 2 2 391.357 3.936 20 0 GHADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cn2ccc(Br)cc2n1 ZINC001143046631 1029809938 /nfs/dbraw/zinc/80/99/38/1029809938.db2.gz CLRDCQDEMGXILK-ZWKOTPCHSA-N 2 2 391.357 3.936 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3scc4c3OCCO4)C[C@@H]21 ZINC001143187421 1029891476 /nfs/dbraw/zinc/89/14/76/1029891476.db2.gz RGONPYIIIHUOAJ-YTQUADARSA-N 2 2 399.560 3.647 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3scc4c3OCCO4)C[C@@H]21 ZINC001143187421 1029891491 /nfs/dbraw/zinc/89/14/91/1029891491.db2.gz RGONPYIIIHUOAJ-YTQUADARSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3scc4c3OCCO4)C[C@@H]21 ZINC001143187421 1029891505 /nfs/dbraw/zinc/89/15/05/1029891505.db2.gz RGONPYIIIHUOAJ-YTQUADARSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3scc4c3OCCO4)C[C@@H]21 ZINC001143187421 1029891512 /nfs/dbraw/zinc/89/15/12/1029891512.db2.gz RGONPYIIIHUOAJ-YTQUADARSA-N 2 2 399.560 3.647 20 0 GHADLP CC(C)(C)OC(=O)NCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000404656927 1029941690 /nfs/dbraw/zinc/94/16/90/1029941690.db2.gz PTUVUNKIVBYODN-ROUUACIJSA-N 2 2 377.504 3.567 20 0 GHADLP CC(C)(C)OC(=O)NCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000404656927 1029941693 /nfs/dbraw/zinc/94/16/93/1029941693.db2.gz PTUVUNKIVBYODN-ROUUACIJSA-N 2 2 377.504 3.567 20 0 GHADLP c1cc(C[NH+]2CCOCC2)cc(C[NH+]2CCCC3(CCCC[NH2+]C3)CCC2)c1 ZINC001222113824 1029970114 /nfs/dbraw/zinc/97/01/14/1029970114.db2.gz OZLJNFNFRBRDMH-UHFFFAOYSA-N 3 2 385.596 3.655 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(Cl)c(OC(F)(F)F)c1)CC2 ZINC001143358295 1030061401 /nfs/dbraw/zinc/06/14/01/1030061401.db2.gz KVDGASXFIUDWRM-UHFFFAOYSA-N 2 2 391.821 3.869 20 0 GHADLP COc1ccc(-c2noc(-c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)n2)cc1 ZINC001217116512 1030177288 /nfs/dbraw/zinc/17/72/88/1030177288.db2.gz OETBPGQOEFYPGW-UHFFFAOYSA-N 2 2 380.492 3.796 20 0 GHADLP COc1ccc(-c2noc(-c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)n2)cc1 ZINC001217116512 1030177293 /nfs/dbraw/zinc/17/72/93/1030177293.db2.gz OETBPGQOEFYPGW-UHFFFAOYSA-N 2 2 380.492 3.796 20 0 GHADLP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@@H+]2Cc2[nH]nc3ccccc32)cc1 ZINC001222576080 1030207133 /nfs/dbraw/zinc/20/71/33/1030207133.db2.gz PWHMNHIPYLZTQP-FQEVSTJZSA-N 2 2 390.531 3.866 20 0 GHADLP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2[nH]nc3ccccc32)cc1 ZINC001222576080 1030207151 /nfs/dbraw/zinc/20/71/51/1030207151.db2.gz PWHMNHIPYLZTQP-FQEVSTJZSA-N 2 2 390.531 3.866 20 0 GHADLP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@@H+]2Cc2n[nH]c3ccccc32)cc1 ZINC001222576080 1030207167 /nfs/dbraw/zinc/20/71/67/1030207167.db2.gz PWHMNHIPYLZTQP-FQEVSTJZSA-N 2 2 390.531 3.866 20 0 GHADLP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2n[nH]c3ccccc32)cc1 ZINC001222576080 1030207184 /nfs/dbraw/zinc/20/71/84/1030207184.db2.gz PWHMNHIPYLZTQP-FQEVSTJZSA-N 2 2 390.531 3.866 20 0 GHADLP FC(F)(F)[C@@H]1CC[C@H](c2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)[NH2+]C1 ZINC001217707104 1030618908 /nfs/dbraw/zinc/61/89/08/1030618908.db2.gz ROSKLFKUHNUFEW-BZUAXINKSA-N 2 2 380.414 3.662 20 0 GHADLP FC(F)(F)[C@@H]1CC[C@H](c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)[NH2+]C1 ZINC001217707104 1030618915 /nfs/dbraw/zinc/61/89/15/1030618915.db2.gz ROSKLFKUHNUFEW-BZUAXINKSA-N 2 2 380.414 3.662 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000131283867 1030894865 /nfs/dbraw/zinc/89/48/65/1030894865.db2.gz MNQLIFFLDCBTOL-CYFREDJKSA-N 2 2 394.563 3.722 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000131283867 1030894890 /nfs/dbraw/zinc/89/48/90/1030894890.db2.gz MNQLIFFLDCBTOL-CYFREDJKSA-N 2 2 394.563 3.722 20 0 GHADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1 ZINC001219161318 1031280040 /nfs/dbraw/zinc/28/00/40/1031280040.db2.gz BKWLLGFVHNSDLY-QFIPXVFZSA-N 2 2 375.472 3.547 20 0 GHADLP CC(C)Oc1cc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)cc(C(F)(F)F)c1 ZINC001219174827 1031288362 /nfs/dbraw/zinc/28/83/62/1031288362.db2.gz QKFLXYSXDDURNO-KRWDZBQOSA-N 2 2 381.398 3.703 20 0 GHADLP CCc1cc(Oc2cccc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)c2)ccc1Cl ZINC001219230637 1031314405 /nfs/dbraw/zinc/31/44/05/1031314405.db2.gz QXXZFJXYXUCORM-IBGZPJMESA-N 2 2 384.867 3.926 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1(C2CCCCC2)CCCCC1 ZINC001225398395 1031384475 /nfs/dbraw/zinc/38/44/75/1031384475.db2.gz NRZHYIPVEIWBJS-UHFFFAOYSA-N 2 2 380.621 3.700 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1(C2CCCCC2)CCCCC1 ZINC001225398395 1031384489 /nfs/dbraw/zinc/38/44/89/1031384489.db2.gz NRZHYIPVEIWBJS-UHFFFAOYSA-N 2 2 380.621 3.700 20 0 GHADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001220186200 1031824066 /nfs/dbraw/zinc/82/40/66/1031824066.db2.gz NJCVUOYGBOGSDB-FUHWJXTLSA-N 2 2 399.913 3.618 20 0 GHADLP COC(=O)c1cccc2c(C[NH+]3CCC(Oc4cc[nH+]cc4C)CC3)ccnc12 ZINC001205621767 1033497872 /nfs/dbraw/zinc/49/78/72/1033497872.db2.gz NDIWRZIDNFOEJM-UHFFFAOYSA-N 2 2 391.471 3.768 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4cc(C)ccc4F)CC[C@@H]3C2)cs1 ZINC001205647234 1033509875 /nfs/dbraw/zinc/50/98/75/1033509875.db2.gz HUKICXOOLPYOGE-DYESRHJHSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4cc(C)ccc4F)CC[C@@H]3C2)cs1 ZINC001205647234 1033509882 /nfs/dbraw/zinc/50/98/82/1033509882.db2.gz HUKICXOOLPYOGE-DYESRHJHSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4cc(C)ccc4F)CC[C@@H]3C2)cs1 ZINC001205647234 1033509889 /nfs/dbraw/zinc/50/98/89/1033509889.db2.gz HUKICXOOLPYOGE-DYESRHJHSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4cc(C)ccc4F)CC[C@@H]3C2)cs1 ZINC001205647234 1033509896 /nfs/dbraw/zinc/50/98/96/1033509896.db2.gz HUKICXOOLPYOGE-DYESRHJHSA-N 2 2 389.540 3.622 20 0 GHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2c3c(nn2C)CCC3)cc1 ZINC001205708537 1033540859 /nfs/dbraw/zinc/54/08/59/1033540859.db2.gz CVLQOBYUJRRELO-UHFFFAOYSA-N 2 2 393.535 3.597 20 0 GHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2c3c(nn2C)CCC3)cc1 ZINC001205708537 1033540865 /nfs/dbraw/zinc/54/08/65/1033540865.db2.gz CVLQOBYUJRRELO-UHFFFAOYSA-N 2 2 393.535 3.597 20 0 GHADLP CCC[NH+]1C[C@@H]2CN(c3ccc(-c4ccc(C(=O)OC)cc4)c(C)[nH+]3)C[C@H]2C1 ZINC001157690789 1033724674 /nfs/dbraw/zinc/72/46/74/1033724674.db2.gz FHZXCANQGHIRJQ-WOJBJXKFSA-N 2 2 379.504 3.622 20 0 GHADLP CC(C)(C)CN(c1ncnc2c1C[N@H+](Cc1ccccc1)CC2)C1CC[NH2+]CC1 ZINC001157883550 1033810555 /nfs/dbraw/zinc/81/05/55/1033810555.db2.gz RKYVWBXWBAOROD-UHFFFAOYSA-N 2 2 393.579 3.639 20 0 GHADLP CC(C)(C)CN(c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2)C1CC[NH2+]CC1 ZINC001157883550 1033810569 /nfs/dbraw/zinc/81/05/69/1033810569.db2.gz RKYVWBXWBAOROD-UHFFFAOYSA-N 2 2 393.579 3.639 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1cnccc1C[NH+]1CCCCC1 ZINC001206539058 1033898751 /nfs/dbraw/zinc/89/87/51/1033898751.db2.gz CFJOSCNSDCJFDL-UHFFFAOYSA-N 2 2 381.520 3.575 20 0 GHADLP COC(=O)c1c(C)cc(C)[nH+]c1N(Cc1ccc(OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001158154404 1033940223 /nfs/dbraw/zinc/94/02/23/1033940223.db2.gz CZNUWGIOBPWBAN-WGSAOQKQSA-N 2 2 397.519 3.770 20 0 GHADLP COc1ccc(CN(c2[nH+]ccc(C)c2NC(C)=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158157562 1033942504 /nfs/dbraw/zinc/94/25/04/1033942504.db2.gz ANGLRHOEPVRSTE-WGSAOQKQSA-N 2 2 382.508 3.634 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)c2n1 ZINC001206806729 1033991427 /nfs/dbraw/zinc/99/14/27/1033991427.db2.gz HFYDRVBQDRFUDU-QWHCGFSZSA-N 2 2 378.314 3.565 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)c2n1 ZINC001206806729 1033991431 /nfs/dbraw/zinc/99/14/31/1033991431.db2.gz HFYDRVBQDRFUDU-QWHCGFSZSA-N 2 2 378.314 3.565 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ncc(F)cc4F)CC3)C2)cc1 ZINC001207097560 1034091358 /nfs/dbraw/zinc/09/13/58/1034091358.db2.gz ZRTWDJZCGZDAPF-UHFFFAOYSA-N 2 2 387.474 3.535 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ncc(F)cc4F)CC3)C2)cc1 ZINC001207097560 1034091364 /nfs/dbraw/zinc/09/13/64/1034091364.db2.gz ZRTWDJZCGZDAPF-UHFFFAOYSA-N 2 2 387.474 3.535 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC001207195520 1034164561 /nfs/dbraw/zinc/16/45/61/1034164561.db2.gz ADMUUBDVKMHKAK-NIJXNBFTSA-N 2 2 399.623 3.829 20 0 GHADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC001207195520 1034164570 /nfs/dbraw/zinc/16/45/70/1034164570.db2.gz ADMUUBDVKMHKAK-NIJXNBFTSA-N 2 2 399.623 3.829 20 0 GHADLP [NH3+]C1CCN(c2[nH+]cccc2Nc2ccc(OCc3ccccc3)nc2)CC1 ZINC001159262702 1034510644 /nfs/dbraw/zinc/51/06/44/1034510644.db2.gz WKBITAVGQQJGRO-UHFFFAOYSA-N 2 2 375.476 3.727 20 0 GHADLP COc1c[nH+]c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1NC(C)C ZINC001159287912 1034524250 /nfs/dbraw/zinc/52/42/50/1034524250.db2.gz HFJIYYLGEKZPBF-LDLYASANSA-N 2 2 381.524 3.913 20 0 GHADLP COc1c[nH+]c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1NC(C)C ZINC001159287912 1034524257 /nfs/dbraw/zinc/52/42/57/1034524257.db2.gz HFJIYYLGEKZPBF-LDLYASANSA-N 2 2 381.524 3.913 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CC2(C)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001207816560 1034594447 /nfs/dbraw/zinc/59/44/47/1034594447.db2.gz PAQMBFQUIDCAEG-GOSISDBHSA-N 2 2 389.540 3.880 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CC2(C)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001207816560 1034594453 /nfs/dbraw/zinc/59/44/53/1034594453.db2.gz PAQMBFQUIDCAEG-GOSISDBHSA-N 2 2 389.540 3.880 20 0 GHADLP CN(c1ccc(Nc2ccc(C(=O)N3CC[NH2+]CC3)cc2)c[nH+]1)C1CCCCC1 ZINC001159529337 1034642439 /nfs/dbraw/zinc/64/24/39/1034642439.db2.gz SORSZUMMLAAXKV-UHFFFAOYSA-N 2 2 393.535 3.640 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1c[nH]c3cnccc13)C2 ZINC001231518144 1034670342 /nfs/dbraw/zinc/67/03/42/1034670342.db2.gz MZSHMGMQERYHPS-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1c[nH]c3cnccc13)C2 ZINC001231518144 1034670347 /nfs/dbraw/zinc/67/03/47/1034670347.db2.gz MZSHMGMQERYHPS-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1c[nH]c3cnccc13)C2 ZINC001231518144 1034670352 /nfs/dbraw/zinc/67/03/52/1034670352.db2.gz MZSHMGMQERYHPS-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1c[nH]c3cnccc13)C2 ZINC001231518144 1034670358 /nfs/dbraw/zinc/67/03/58/1034670358.db2.gz MZSHMGMQERYHPS-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP FC1(F)CN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC[C@@H]1[NH+]1CCCC1 ZINC001208592726 1034948036 /nfs/dbraw/zinc/94/80/36/1034948036.db2.gz AHTDGGGAEMCXHY-RTWAWAEBSA-N 2 2 377.523 3.847 20 0 GHADLP FC1(F)CN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[C@@H]1[NH+]1CCCC1 ZINC001208592726 1034948038 /nfs/dbraw/zinc/94/80/38/1034948038.db2.gz AHTDGGGAEMCXHY-RTWAWAEBSA-N 2 2 377.523 3.847 20 0 GHADLP Cc1cc(N2CC[NH+](CCCc3cccc(Br)c3)CC2)nc(C)[nH+]1 ZINC001208825765 1035044070 /nfs/dbraw/zinc/04/40/70/1035044070.db2.gz MBIJOYSIUBNOCH-UHFFFAOYSA-N 2 2 389.341 3.611 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001232014435 1035044587 /nfs/dbraw/zinc/04/45/87/1035044587.db2.gz IGCJROOVEXLLAO-AMHTUMDSSA-N 3 2 375.520 3.690 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001232014435 1035044591 /nfs/dbraw/zinc/04/45/91/1035044591.db2.gz IGCJROOVEXLLAO-AMHTUMDSSA-N 3 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001232014435 1035044594 /nfs/dbraw/zinc/04/45/94/1035044594.db2.gz IGCJROOVEXLLAO-AMHTUMDSSA-N 3 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001232014435 1035044599 /nfs/dbraw/zinc/04/45/99/1035044599.db2.gz IGCJROOVEXLLAO-AMHTUMDSSA-N 3 2 375.520 3.690 20 0 GHADLP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001232014435 1035044604 /nfs/dbraw/zinc/04/46/04/1035044604.db2.gz IGCJROOVEXLLAO-AMHTUMDSSA-N 2 2 375.520 3.690 20 0 GHADLP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001232014435 1035044609 /nfs/dbraw/zinc/04/46/09/1035044609.db2.gz IGCJROOVEXLLAO-AMHTUMDSSA-N 2 2 375.520 3.690 20 0 GHADLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C[C@H]4CC[NH+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208946976 1035117716 /nfs/dbraw/zinc/11/77/16/1035117716.db2.gz SGNZWBPKZBYGPP-KKUQBAQOSA-N 3 2 389.587 3.881 20 0 GHADLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C[C@H]4CC[NH+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208946976 1035117723 /nfs/dbraw/zinc/11/77/23/1035117723.db2.gz SGNZWBPKZBYGPP-KKUQBAQOSA-N 3 2 389.587 3.881 20 0 GHADLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C[C@H]4CC[NH+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208946976 1035117731 /nfs/dbraw/zinc/11/77/31/1035117731.db2.gz SGNZWBPKZBYGPP-KKUQBAQOSA-N 3 2 389.587 3.881 20 0 GHADLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](C[C@H]4CC[NH+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208946976 1035117737 /nfs/dbraw/zinc/11/77/37/1035117737.db2.gz SGNZWBPKZBYGPP-KKUQBAQOSA-N 3 2 389.587 3.881 20 0 GHADLP Clc1ccc(CC[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001209081763 1035166188 /nfs/dbraw/zinc/16/61/88/1035166188.db2.gz UNKRIUPLUFLLMJ-QZTJIDSGSA-N 2 2 376.331 3.995 20 0 GHADLP CC(=O)OC(C)(C)CCC[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001209154659 1035195444 /nfs/dbraw/zinc/19/54/44/1035195444.db2.gz QKXCUBLWEBVSGE-UHFFFAOYSA-N 2 2 399.535 3.787 20 0 GHADLP CC(=O)OC(C)(C)CCC[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001209154659 1035195447 /nfs/dbraw/zinc/19/54/47/1035195447.db2.gz QKXCUBLWEBVSGE-UHFFFAOYSA-N 2 2 399.535 3.787 20 0 GHADLP CC(=O)OC(C)(C)CCC[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001209154659 1035195451 /nfs/dbraw/zinc/19/54/51/1035195451.db2.gz QKXCUBLWEBVSGE-UHFFFAOYSA-N 2 2 399.535 3.787 20 0 GHADLP c1ccc(C(c2ccccc2)[NH+]2CC3(C2)CC[N@@H+](CCCC2OCCO2)C3)cc1 ZINC001209309240 1035236966 /nfs/dbraw/zinc/23/69/66/1035236966.db2.gz NNNQDLLUJBNQEQ-UHFFFAOYSA-N 2 2 392.543 3.937 20 0 GHADLP c1ccc(C(c2ccccc2)[NH+]2CC3(C2)CC[N@H+](CCCC2OCCO2)C3)cc1 ZINC001209309240 1035236968 /nfs/dbraw/zinc/23/69/68/1035236968.db2.gz NNNQDLLUJBNQEQ-UHFFFAOYSA-N 2 2 392.543 3.937 20 0 GHADLP Fc1cccc([C@@H](CC2CCOCC2)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1 ZINC001161838387 1035312618 /nfs/dbraw/zinc/31/26/18/1035312618.db2.gz SQOLQLYWROCSRC-OAQYLSRUSA-N 2 2 384.499 3.600 20 0 GHADLP C[NH+]1CCC(Oc2cc[nH+]c(Nc3ccc(Br)cc3C[NH3+])c2)CC1 ZINC001161856917 1035316331 /nfs/dbraw/zinc/31/63/31/1035316331.db2.gz IIRMWYSOUMLGQD-UHFFFAOYSA-N 3 2 391.313 3.519 20 0 GHADLP Cc1cc(Br)cc(-c2noc([C@@H]3CCC[N@@H+]3C3CC[NH2+]CC3)n2)c1 ZINC001248254134 1035704412 /nfs/dbraw/zinc/70/44/12/1035704412.db2.gz ZTJYNBVRWXNGJR-INIZCTEOSA-N 2 2 391.313 3.696 20 0 GHADLP Cc1cc(Br)cc(-c2noc([C@@H]3CCC[N@H+]3C3CC[NH2+]CC3)n2)c1 ZINC001248254134 1035704425 /nfs/dbraw/zinc/70/44/25/1035704425.db2.gz ZTJYNBVRWXNGJR-INIZCTEOSA-N 2 2 391.313 3.696 20 0 GHADLP Cc1sc2nc(C[NH+](C)C)nc(-c3cccc(C[NH+]4CCOCC4)c3)c2c1C ZINC001241815163 1035708081 /nfs/dbraw/zinc/70/80/81/1035708081.db2.gz HKURAWZLXZOQKC-UHFFFAOYSA-N 2 2 396.560 3.869 20 0 GHADLP CC(C)C(=O)N1CC[NH+](C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001462019254 1069949602 /nfs/dbraw/zinc/94/96/02/1069949602.db2.gz SAJGOVKUXNHZMT-DEOSSOPVSA-N 2 2 385.596 3.725 20 0 GHADLP CC(C)C(=O)N1CC[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001462019254 1069949606 /nfs/dbraw/zinc/94/96/06/1069949606.db2.gz SAJGOVKUXNHZMT-DEOSSOPVSA-N 2 2 385.596 3.725 20 0 GHADLP [NH3+][C@@H](CCCc1ccccc1)c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC001248452753 1035873968 /nfs/dbraw/zinc/87/39/68/1035873968.db2.gz YZMWUICMKPOEKY-NRFANRHFSA-N 2 2 392.503 3.592 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc3c(cnn3[C@@H]3CCCCO3)c2)C1 ZINC001242451521 1035911452 /nfs/dbraw/zinc/91/14/52/1035911452.db2.gz PFHDNOKNRALVGE-REWPJTCUSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc3c(cnn3[C@@H]3CCCCO3)c2)C1 ZINC001242451521 1035911454 /nfs/dbraw/zinc/91/14/54/1035911454.db2.gz PFHDNOKNRALVGE-REWPJTCUSA-N 2 2 376.504 3.935 20 0 GHADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cccc(-c2ccc(Cl)cc2)n1 ZINC001248516272 1035927634 /nfs/dbraw/zinc/92/76/34/1035927634.db2.gz XKMQKGYYSHIZKM-UHFFFAOYSA-N 2 2 389.927 3.719 20 0 GHADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cccc(-c2ccc(Cl)cc2)n1 ZINC001248516272 1035927636 /nfs/dbraw/zinc/92/76/36/1035927636.db2.gz XKMQKGYYSHIZKM-UHFFFAOYSA-N 2 2 389.927 3.719 20 0 GHADLP CC[N@H+](C)C1CC[NH+](Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001248784959 1036146651 /nfs/dbraw/zinc/14/66/51/1036146651.db2.gz ICIGENZKPJDWNK-UHFFFAOYSA-N 2 2 387.568 3.896 20 0 GHADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001248784959 1036146656 /nfs/dbraw/zinc/14/66/56/1036146656.db2.gz ICIGENZKPJDWNK-UHFFFAOYSA-N 2 2 387.568 3.896 20 0 GHADLP C[C@@H]1CC[N@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)CC[S@]1=O ZINC001462083903 1069986273 /nfs/dbraw/zinc/98/62/73/1069986273.db2.gz CPAJVJJYSBZTJF-BORKOYIJSA-N 2 2 376.610 3.768 20 0 GHADLP C[C@@H]1CC[N@@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)CC[S@]1=O ZINC001462083903 1069986275 /nfs/dbraw/zinc/98/62/75/1069986275.db2.gz CPAJVJJYSBZTJF-BORKOYIJSA-N 2 2 376.610 3.768 20 0 GHADLP C[C@@H]1CC[NH+](C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC[S@]1=O ZINC001462083903 1069986278 /nfs/dbraw/zinc/98/62/78/1069986278.db2.gz CPAJVJJYSBZTJF-BORKOYIJSA-N 2 2 376.610 3.768 20 0 GHADLP C[C@@H]1CC[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC[S@]1=O ZINC001462083903 1069986281 /nfs/dbraw/zinc/98/62/81/1069986281.db2.gz CPAJVJJYSBZTJF-BORKOYIJSA-N 2 2 376.610 3.768 20 0 GHADLP Fc1cc(F)c(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cc1Cl ZINC001278372205 1036302776 /nfs/dbraw/zinc/30/27/76/1036302776.db2.gz FPKHMWPWGQNONQ-UHFFFAOYSA-N 2 2 380.870 3.829 20 0 GHADLP Fc1cc(F)c(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cc1Cl ZINC001278372205 1036302797 /nfs/dbraw/zinc/30/27/97/1036302797.db2.gz FPKHMWPWGQNONQ-UHFFFAOYSA-N 2 2 380.870 3.829 20 0 GHADLP COCOc1ccc(C(F)(F)F)cc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244637697 1036576901 /nfs/dbraw/zinc/57/69/01/1036576901.db2.gz JADZXKPLPJYXAC-KRWDZBQOSA-N 2 2 380.410 3.888 20 0 GHADLP COCOc1ccc(C(F)(F)F)cc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244637697 1036576917 /nfs/dbraw/zinc/57/69/17/1036576917.db2.gz JADZXKPLPJYXAC-KRWDZBQOSA-N 2 2 380.410 3.888 20 0 GHADLP CCCC[C@H](CC)COC[C@@H](O)C[NH2+]C1(c2ccccc2F)CC[NH2+]CC1 ZINC001246009564 1037129303 /nfs/dbraw/zinc/12/93/03/1037129303.db2.gz ZBBYSUPMADLPKI-OALUTQOASA-N 2 2 380.548 3.588 20 0 GHADLP CCCC[C@@H](CC)COC[C@H](O)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001246065748 1037178494 /nfs/dbraw/zinc/17/84/94/1037178494.db2.gz QGLGEYACOJQYDP-IFMALSPDSA-N 2 2 388.596 3.717 20 0 GHADLP O[C@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001246067771 1037180328 /nfs/dbraw/zinc/18/03/28/1037180328.db2.gz XOIOOSKFKHAXTC-MOPGFXCFSA-N 2 2 393.531 3.667 20 0 GHADLP O[C@H](COc1cccc2[nH]c3ccccc3c21)C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001246067771 1037180375 /nfs/dbraw/zinc/18/03/75/1037180375.db2.gz XOIOOSKFKHAXTC-MOPGFXCFSA-N 2 2 393.531 3.667 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H](n2c(C)c(CC[NH3+])c3c2cc(Cl)cc3Cl)C[NH2+]1 ZINC001246259312 1037260068 /nfs/dbraw/zinc/26/00/68/1037260068.db2.gz NNXPKNZINNSZEE-BBRMVZONSA-N 2 2 398.334 3.614 20 0 GHADLP [NH3+]CCC[C@H]([NH2+][C@@H]1CCc2cccc(Cl)c2C1)C(=O)OCc1ccccc1 ZINC001246401411 1037358475 /nfs/dbraw/zinc/35/84/75/1037358475.db2.gz LDKZRZLXHRDBPK-NQIIRXRSSA-N 2 2 386.923 3.638 20 0 GHADLP [NH3+]C1(Cc2cccc(F)c2)CC[NH+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246421435 1037378719 /nfs/dbraw/zinc/37/87/19/1037378719.db2.gz SAKJHMYWLYCQGF-GOTSBHOMSA-N 3 2 381.539 3.525 20 0 GHADLP FC(F)(F)c1ccc(CC2([NH2+][C@H]3CC[NH2+]C4(CCC4)C3)CC[NH2+]CC2)cc1 ZINC001246430386 1037390508 /nfs/dbraw/zinc/39/05/08/1037390508.db2.gz UYRLQNOSYWBKRD-SFHVURJKSA-N 3 2 381.486 3.634 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246452192 1037412752 /nfs/dbraw/zinc/41/27/52/1037412752.db2.gz CSLGYIWISFAVQF-JTHBVZDNSA-N 3 2 381.539 3.882 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246540910 1037474058 /nfs/dbraw/zinc/47/40/58/1037474058.db2.gz UDOMZURWJGPDLY-AOIWGVFYSA-N 2 2 378.488 3.953 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246540910 1037474079 /nfs/dbraw/zinc/47/40/79/1037474079.db2.gz UDOMZURWJGPDLY-AOIWGVFYSA-N 2 2 378.488 3.953 20 0 GHADLP c1ccc(C[C@@H]2C[C@@H]([N@H+]3CCO[C@H]4[C@H](OCC5CCCC5)CC[C@@H]43)CC[NH2+]2)cc1 ZINC001246692486 1037551604 /nfs/dbraw/zinc/55/16/04/1037551604.db2.gz HCPZFADSGHEXIZ-ZLOLNMDISA-N 2 2 398.591 3.788 20 0 GHADLP c1ccc(C[C@@H]2C[C@@H]([N@@H+]3CCO[C@H]4[C@H](OCC5CCCC5)CC[C@@H]43)CC[NH2+]2)cc1 ZINC001246692486 1037551622 /nfs/dbraw/zinc/55/16/22/1037551622.db2.gz HCPZFADSGHEXIZ-ZLOLNMDISA-N 2 2 398.591 3.788 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)CC[NH2+]1 ZINC001246723946 1037575584 /nfs/dbraw/zinc/57/55/84/1037575584.db2.gz ZHGBQPHIUZLJQJ-JRFVFWCSSA-N 2 2 385.596 3.977 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@H+]2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)CC[NH2+]1 ZINC001246723946 1037575596 /nfs/dbraw/zinc/57/55/96/1037575596.db2.gz ZHGBQPHIUZLJQJ-JRFVFWCSSA-N 2 2 385.596 3.977 20 0 GHADLP C(OC[C@H]1COCCC12CC[NH+]([C@H]1CC[NH2+]C3(CCCCC3)C1)CC2)C1CC1 ZINC001246738158 1037583330 /nfs/dbraw/zinc/58/33/30/1037583330.db2.gz MBBWVDFPFSVBCB-YADHBBJMSA-N 2 2 390.612 3.987 20 0 GHADLP CC[C@@H]1CC([N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)C[C@@H](CC)[NH2+]1 ZINC001246751291 1037589958 /nfs/dbraw/zinc/58/99/58/1037589958.db2.gz HUXPAKOJTIQZNX-LZJOCLMNSA-N 2 2 375.582 3.876 20 0 GHADLP CC[C@@H]1CC([N@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)C[C@@H](CC)[NH2+]1 ZINC001246751291 1037589980 /nfs/dbraw/zinc/58/99/80/1037589980.db2.gz HUXPAKOJTIQZNX-LZJOCLMNSA-N 2 2 375.582 3.876 20 0 GHADLP CCCC[C@H]1C[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246761025 1037605386 /nfs/dbraw/zinc/60/53/86/1037605386.db2.gz YFRDEZQZQFLLMG-XZOQPEGZSA-N 3 2 385.596 3.664 20 0 GHADLP CCCC[C@H]1C[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246761025 1037605390 /nfs/dbraw/zinc/60/53/90/1037605390.db2.gz YFRDEZQZQFLLMG-XZOQPEGZSA-N 3 2 385.596 3.664 20 0 GHADLP FC(F)(F)c1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)nc1 ZINC001246770100 1037612659 /nfs/dbraw/zinc/61/26/59/1037612659.db2.gz NOMJRVPRWFYWOA-RBUKOAKNSA-N 2 2 390.453 3.716 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCN(C3=Nc4ccccc4Sc4ccccc43)CC2)CC[NH2+]1 ZINC001246792246 1037631061 /nfs/dbraw/zinc/63/10/61/1037631061.db2.gz OXTGFRHMIHZAIU-ZWKOTPCHSA-N 2 2 392.572 3.988 20 0 GHADLP COc1ccc(Cl)cc1N1CC[NH+]([C@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246833392 1037663457 /nfs/dbraw/zinc/66/34/57/1037663457.db2.gz HNEWTGFMRTUZKZ-SFHVURJKSA-N 2 2 377.960 3.926 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+]([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)C[C@H]3C2)cc1 ZINC001246894757 1037710680 /nfs/dbraw/zinc/71/06/80/1037710680.db2.gz PWXBHMMQSDDYTQ-LIONHTAISA-N 3 2 375.560 3.934 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[NH+]([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)C[C@H]3C2)cc1 ZINC001246894757 1037710700 /nfs/dbraw/zinc/71/07/00/1037710700.db2.gz PWXBHMMQSDDYTQ-LIONHTAISA-N 3 2 375.560 3.934 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+]([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)C[C@H]3C2)cc1 ZINC001246894757 1037710726 /nfs/dbraw/zinc/71/07/26/1037710726.db2.gz PWXBHMMQSDDYTQ-LIONHTAISA-N 3 2 375.560 3.934 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3CC[N@H+]([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)C[C@H]3C2)cc1 ZINC001246894757 1037710748 /nfs/dbraw/zinc/71/07/48/1037710748.db2.gz PWXBHMMQSDDYTQ-LIONHTAISA-N 3 2 375.560 3.934 20 0 GHADLP Cc1cncnc1O[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246975634 1037801365 /nfs/dbraw/zinc/80/13/65/1037801365.db2.gz MQCOZZZIWXRNAY-ZVDOUQERSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1cncnc1O[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246975634 1037801367 /nfs/dbraw/zinc/80/13/67/1037801367.db2.gz MQCOZZZIWXRNAY-ZVDOUQERSA-N 2 2 384.499 3.569 20 0 GHADLP c1ccc([C@H]2C[C@@H]([NH+]3CCN(c4ccc(-c5ncccn5)cc4)CC3)CC[NH2+]2)cc1 ZINC001246982297 1037805793 /nfs/dbraw/zinc/80/57/93/1037805793.db2.gz BTRLTFOLQWSYDC-BJKOFHAPSA-N 2 2 399.542 3.759 20 0 GHADLP CCCCc1ccc(-c2noc([C@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)cc1 ZINC001247133292 1037939514 /nfs/dbraw/zinc/93/95/14/1037939514.db2.gz OYYOXCYWYJIXKE-GOSISDBHSA-N 2 2 377.492 3.694 20 0 GHADLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)Cc1ccc(Cl)c(Cl)c1 ZINC001232366287 1038141755 /nfs/dbraw/zinc/14/17/55/1038141755.db2.gz YSBOUVIVACWGLV-UHFFFAOYSA-N 2 2 379.335 3.772 20 0 GHADLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)Cc1ccc(Cl)c(Cl)c1 ZINC001232366287 1038141768 /nfs/dbraw/zinc/14/17/68/1038141768.db2.gz YSBOUVIVACWGLV-UHFFFAOYSA-N 2 2 379.335 3.772 20 0 GHADLP Cc1cc(Br)c(-c2noc(-c3ccc([C@H]([NH3+])C[NH3+])cc3)n2)cc1F ZINC001247699103 1038336525 /nfs/dbraw/zinc/33/65/25/1038336525.db2.gz UHMLWQNWHNJVFB-OAHLLOKOSA-N 2 2 391.244 3.572 20 0 GHADLP Cc1cc(Br)c(F)cc1-c1noc(-c2ccc([C@H]([NH3+])C[NH3+])cc2)n1 ZINC001247698596 1038337205 /nfs/dbraw/zinc/33/72/05/1038337205.db2.gz PJLIDRAKPKUFHA-OAHLLOKOSA-N 2 2 391.244 3.572 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3cc(Br)ccc3Cl)no2)cc1 ZINC001247702991 1038339828 /nfs/dbraw/zinc/33/98/28/1038339828.db2.gz ZZPSLZGXCZTPLH-CQSZACIVSA-N 2 2 393.672 3.778 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cncc3cnccc31)CC2 ZINC001232647309 1038433483 /nfs/dbraw/zinc/43/34/83/1038433483.db2.gz CVIKYGGXXZTVJM-UHFFFAOYSA-N 2 2 391.519 3.865 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cncc3cnccc31)CC2 ZINC001232647309 1038433488 /nfs/dbraw/zinc/43/34/88/1038433488.db2.gz CVIKYGGXXZTVJM-UHFFFAOYSA-N 2 2 391.519 3.865 20 0 GHADLP c1cc(-c2noc([C@H]3CC[N@@H+]3C3CCCCC3)n2)ccc1C[NH+]1CCOCC1 ZINC001248033105 1038547984 /nfs/dbraw/zinc/54/79/84/1038547984.db2.gz BUUGYRQRXDRYCT-HXUWFJFHSA-N 2 2 382.508 3.648 20 0 GHADLP c1cc(-c2noc([C@H]3CC[N@H+]3C3CCCCC3)n2)ccc1C[NH+]1CCOCC1 ZINC001248033105 1038547992 /nfs/dbraw/zinc/54/79/92/1038547992.db2.gz BUUGYRQRXDRYCT-HXUWFJFHSA-N 2 2 382.508 3.648 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(OC(F)(F)F)cc1Cl)CC2 ZINC001232993222 1038755731 /nfs/dbraw/zinc/75/57/31/1038755731.db2.gz MRGBKGUUIDTOQW-UHFFFAOYSA-N 2 2 391.821 3.869 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](C[C@H](O)c1ccc(F)cc1)CC2 ZINC001252841891 1039200728 /nfs/dbraw/zinc/20/07/28/1039200728.db2.gz NMCYGVOYMYJEKY-NRFANRHFSA-N 2 2 387.499 3.595 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](C[C@H](O)c1ccc(F)cc1)CC2 ZINC001252841891 1039200758 /nfs/dbraw/zinc/20/07/58/1039200758.db2.gz NMCYGVOYMYJEKY-NRFANRHFSA-N 2 2 387.499 3.595 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)c1ccc(F)cc1)CC2 ZINC001252841892 1039201365 /nfs/dbraw/zinc/20/13/65/1039201365.db2.gz NMCYGVOYMYJEKY-OAQYLSRUSA-N 2 2 387.499 3.595 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](C[C@@H](O)c1ccc(F)cc1)CC2 ZINC001252841892 1039201385 /nfs/dbraw/zinc/20/13/85/1039201385.db2.gz NMCYGVOYMYJEKY-OAQYLSRUSA-N 2 2 387.499 3.595 20 0 GHADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC001462359538 1070198766 /nfs/dbraw/zinc/19/87/66/1070198766.db2.gz XILVKFUHBJEOQA-ISKFKSNPSA-N 3 2 387.612 3.624 20 0 GHADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC001462359538 1070198769 /nfs/dbraw/zinc/19/87/69/1070198769.db2.gz XILVKFUHBJEOQA-ISKFKSNPSA-N 3 2 387.612 3.624 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC001253152677 1039450618 /nfs/dbraw/zinc/45/06/18/1039450618.db2.gz COVOPCNMRQSURJ-YLJYHZDGSA-N 2 2 390.597 3.543 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001253152677 1039450627 /nfs/dbraw/zinc/45/06/27/1039450627.db2.gz COVOPCNMRQSURJ-YLJYHZDGSA-N 2 2 390.597 3.543 20 0 GHADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC001253216918 1039478320 /nfs/dbraw/zinc/47/83/20/1039478320.db2.gz QLJNRJBLGQECFE-FCHUYYIVSA-N 2 2 390.955 3.890 20 0 GHADLP COc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccc1-n1ccnc1 ZINC001234033665 1039775219 /nfs/dbraw/zinc/77/52/19/1039775219.db2.gz ULIMNAJFXNAJES-UHFFFAOYSA-N 2 2 390.531 3.977 20 0 GHADLP COc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccc1-n1ccnc1 ZINC001234033665 1039775235 /nfs/dbraw/zinc/77/52/35/1039775235.db2.gz ULIMNAJFXNAJES-UHFFFAOYSA-N 2 2 390.531 3.977 20 0 GHADLP COc1cc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)ccc1-n1ccnc1 ZINC001234044662 1039783495 /nfs/dbraw/zinc/78/34/95/1039783495.db2.gz ZDSLKMTUKUOQIV-UHFFFAOYSA-N 2 2 380.536 3.721 20 0 GHADLP COc1cc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)ccc1-n1ccnc1 ZINC001234044662 1039783510 /nfs/dbraw/zinc/78/35/10/1039783510.db2.gz ZDSLKMTUKUOQIV-UHFFFAOYSA-N 2 2 380.536 3.721 20 0 GHADLP O[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)C(c1ccccc1)c1ccccc1 ZINC001253937561 1039914466 /nfs/dbraw/zinc/91/44/66/1039914466.db2.gz OCQDRJBRFROHSL-QHCPKHFHSA-N 2 2 387.527 3.833 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)[nH+]c1 ZINC001254207995 1040060569 /nfs/dbraw/zinc/06/05/69/1040060569.db2.gz BRJLJNRBHLVDIE-IBGZPJMESA-N 2 2 388.556 3.738 20 0 GHADLP Cc1ccc(I)cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235037130 1040530795 /nfs/dbraw/zinc/53/07/95/1040530795.db2.gz DVNULFXTQORGFC-KRWDZBQOSA-N 2 2 384.305 3.708 20 0 GHADLP Cc1ccc(I)cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235037130 1040530816 /nfs/dbraw/zinc/53/08/16/1040530816.db2.gz DVNULFXTQORGFC-KRWDZBQOSA-N 2 2 384.305 3.708 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)cc1OC1CCCC1 ZINC001235092973 1040583461 /nfs/dbraw/zinc/58/34/61/1040583461.db2.gz YCKBBVGGBVGLLN-HXUWFJFHSA-N 2 2 380.479 3.837 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)cc1OC1CCCC1 ZINC001235092973 1040583477 /nfs/dbraw/zinc/58/34/77/1040583477.db2.gz YCKBBVGGBVGLLN-HXUWFJFHSA-N 2 2 380.479 3.837 20 0 GHADLP C[N@H+](Cc1cc2c(ccnc2Cl)o1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462479104 1070287267 /nfs/dbraw/zinc/28/72/67/1070287267.db2.gz MBIYIYDWOQNLPU-NRFANRHFSA-N 2 2 385.895 3.550 20 0 GHADLP C[N@@H+](Cc1cc2c(ccnc2Cl)o1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462479104 1070287278 /nfs/dbraw/zinc/28/72/78/1070287278.db2.gz MBIYIYDWOQNLPU-NRFANRHFSA-N 2 2 385.895 3.550 20 0 GHADLP C[NH+](Cc1cc2c(ccnc2Cl)o1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001462479104 1070287290 /nfs/dbraw/zinc/28/72/90/1070287290.db2.gz MBIYIYDWOQNLPU-NRFANRHFSA-N 2 2 385.895 3.550 20 0 GHADLP C[NH+](Cc1cc2c(ccnc2Cl)o1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001462479104 1070287304 /nfs/dbraw/zinc/28/73/04/1070287304.db2.gz MBIYIYDWOQNLPU-NRFANRHFSA-N 2 2 385.895 3.550 20 0 GHADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(-n3cnc4ccccc43)cc1)C2 ZINC001235224453 1040706345 /nfs/dbraw/zinc/70/63/45/1040706345.db2.gz LTEZRKJIFHYBCQ-JXFKEZNVSA-N 2 2 386.421 3.609 20 0 GHADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc(-n3cnc4ccccc43)cc1)C2 ZINC001235224453 1040706353 /nfs/dbraw/zinc/70/63/53/1040706353.db2.gz LTEZRKJIFHYBCQ-JXFKEZNVSA-N 2 2 386.421 3.609 20 0 GHADLP [NH3+][C@@H](Cc1c[nH+]cn1C1CCSCC1)C(=O)Nc1ccc2ccccc2c1 ZINC001255085218 1040773468 /nfs/dbraw/zinc/77/34/68/1040773468.db2.gz CUUXDZBGBQBTBQ-FQEVSTJZSA-N 2 2 380.517 3.613 20 0 GHADLP Fc1cc(Br)c(C[NH+]2CCC(C3C[NH2+]C3)CC2)c(F)c1Cl ZINC001235340288 1040811128 /nfs/dbraw/zinc/81/11/28/1040811128.db2.gz PJPIVMPUTRKAGB-UHFFFAOYSA-N 2 2 379.676 3.812 20 0 GHADLP c1nc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1Cc1ccccn1 ZINC001255134146 1040833462 /nfs/dbraw/zinc/83/34/62/1040833462.db2.gz XVVXDFCQJJFAKB-VILGAWFOSA-N 2 2 387.531 3.612 20 0 GHADLP c1nc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1Cc1ccccn1 ZINC001255134146 1040833474 /nfs/dbraw/zinc/83/34/74/1040833474.db2.gz XVVXDFCQJJFAKB-VILGAWFOSA-N 2 2 387.531 3.612 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc(F)c1OC ZINC001235364337 1040852800 /nfs/dbraw/zinc/85/28/00/1040852800.db2.gz LRDDPEOCNLCIIM-AUSIDOKSSA-N 2 2 384.495 3.596 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc(F)c1OC ZINC001235364337 1040852811 /nfs/dbraw/zinc/85/28/11/1040852811.db2.gz LRDDPEOCNLCIIM-AUSIDOKSSA-N 2 2 384.495 3.596 20 0 GHADLP COc1cc(F)c(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1OC ZINC001235374720 1040883535 /nfs/dbraw/zinc/88/35/35/1040883535.db2.gz YHXOBPJEFPIJOF-AUSIDOKSSA-N 2 2 384.495 3.596 20 0 GHADLP COc1cc(F)c(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1OC ZINC001235374720 1040883542 /nfs/dbraw/zinc/88/35/42/1040883542.db2.gz YHXOBPJEFPIJOF-AUSIDOKSSA-N 2 2 384.495 3.596 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(OC)cc1Cl ZINC001235377053 1040888564 /nfs/dbraw/zinc/88/85/64/1040888564.db2.gz NNCVLCNYUDZHFR-GCJKJVERSA-N 2 2 386.923 3.936 20 0 GHADLP COc1cc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(OC)cc1Cl ZINC001235377053 1040888575 /nfs/dbraw/zinc/88/85/75/1040888575.db2.gz NNCVLCNYUDZHFR-GCJKJVERSA-N 2 2 386.923 3.936 20 0 GHADLP CCOC(=O)c1ccccc1C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235382021 1040902007 /nfs/dbraw/zinc/90/20/07/1040902007.db2.gz MBNXSTNMUJWXHS-URXFXBBRSA-N 2 2 378.516 3.617 20 0 GHADLP CCOC(=O)c1ccccc1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235382021 1040902017 /nfs/dbraw/zinc/90/20/17/1040902017.db2.gz MBNXSTNMUJWXHS-URXFXBBRSA-N 2 2 378.516 3.617 20 0 GHADLP COc1ncc(C2CC2)cc1C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235382049 1040903248 /nfs/dbraw/zinc/90/32/48/1040903248.db2.gz MHPWLNXFDYTDEA-ISKFKSNPSA-N 2 2 377.532 3.721 20 0 GHADLP COc1ncc(C2CC2)cc1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235382049 1040903256 /nfs/dbraw/zinc/90/32/56/1040903256.db2.gz MHPWLNXFDYTDEA-ISKFKSNPSA-N 2 2 377.532 3.721 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1OCc1ccccc1 ZINC001235399754 1040913872 /nfs/dbraw/zinc/91/38/72/1040913872.db2.gz BCCHCHKULRDEIN-PKTZIBPZSA-N 2 2 384.495 3.798 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1OCc1ccccc1 ZINC001235399754 1040913874 /nfs/dbraw/zinc/91/38/74/1040913874.db2.gz BCCHCHKULRDEIN-PKTZIBPZSA-N 2 2 384.495 3.798 20 0 GHADLP FC(F)Oc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1OCC1CC1 ZINC001235405588 1040918090 /nfs/dbraw/zinc/91/80/90/1040918090.db2.gz OHJWAZVUZCWCOR-AZUAARDMSA-N 2 2 384.442 3.600 20 0 GHADLP FC(F)Oc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1OCC1CC1 ZINC001235405588 1040918094 /nfs/dbraw/zinc/91/80/94/1040918094.db2.gz OHJWAZVUZCWCOR-AZUAARDMSA-N 2 2 384.442 3.600 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001255378122 1040970368 /nfs/dbraw/zinc/97/03/68/1040970368.db2.gz MRYGUEBUKVGZPI-RXVVDRJESA-N 2 2 376.516 3.844 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001255378122 1040970371 /nfs/dbraw/zinc/97/03/71/1040970371.db2.gz MRYGUEBUKVGZPI-RXVVDRJESA-N 2 2 376.516 3.844 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CC3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC001255390154 1040978306 /nfs/dbraw/zinc/97/83/06/1040978306.db2.gz ZKKUTKCJRNBWMN-HSZRJFAPSA-N 3 2 378.564 3.942 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC001255390154 1040978307 /nfs/dbraw/zinc/97/83/07/1040978307.db2.gz ZKKUTKCJRNBWMN-HSZRJFAPSA-N 3 2 378.564 3.942 20 0 GHADLP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255400549 1040986850 /nfs/dbraw/zinc/98/68/50/1040986850.db2.gz LVBWTUCEGLZERT-FPOVZHCZSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255400549 1040986852 /nfs/dbraw/zinc/98/68/52/1040986852.db2.gz LVBWTUCEGLZERT-FPOVZHCZSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255400549 1040986857 /nfs/dbraw/zinc/98/68/57/1040986857.db2.gz LVBWTUCEGLZERT-FPOVZHCZSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255400549 1040986865 /nfs/dbraw/zinc/98/68/65/1040986865.db2.gz LVBWTUCEGLZERT-FPOVZHCZSA-N 2 2 387.568 3.982 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001255401192 1040987731 /nfs/dbraw/zinc/98/77/31/1040987731.db2.gz ROTPEPDGLWUEKG-RPBOFIJWSA-N 3 2 399.623 3.864 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001255401192 1040987736 /nfs/dbraw/zinc/98/77/36/1040987736.db2.gz ROTPEPDGLWUEKG-RPBOFIJWSA-N 3 2 399.623 3.864 20 0 GHADLP Brc1ccc2nc(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)[nH]c2c1 ZINC001235703074 1041182917 /nfs/dbraw/zinc/18/29/17/1041182917.db2.gz QOLLCDRISAZWGE-UHFFFAOYSA-N 2 2 377.330 3.537 20 0 GHADLP COCC[N@H+](C)[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC001255677911 1041210929 /nfs/dbraw/zinc/21/09/29/1041210929.db2.gz ZUYXDLQMLXUAAH-VTHDOGFWSA-N 2 2 379.976 3.564 20 0 GHADLP COCC[N@@H+](C)[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC001255677911 1041210940 /nfs/dbraw/zinc/21/09/40/1041210940.db2.gz ZUYXDLQMLXUAAH-VTHDOGFWSA-N 2 2 379.976 3.564 20 0 GHADLP Cc1ccc(SC[C@@H](C)[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001255761723 1041276015 /nfs/dbraw/zinc/27/60/15/1041276015.db2.gz CJWILIXMSSKQFW-NRSPTQNISA-N 2 2 384.593 3.663 20 0 GHADLP Cc1ccc(SC[C@@H](C)[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001255761723 1041276027 /nfs/dbraw/zinc/27/60/27/1041276027.db2.gz CJWILIXMSSKQFW-NRSPTQNISA-N 2 2 384.593 3.663 20 0 GHADLP Cc1ccc(SC[C@@H](C)[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001255761723 1041276044 /nfs/dbraw/zinc/27/60/44/1041276044.db2.gz CJWILIXMSSKQFW-NRSPTQNISA-N 2 2 384.593 3.663 20 0 GHADLP Cc1ccc(SC[C@@H](C)[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001255761723 1041276060 /nfs/dbraw/zinc/27/60/60/1041276060.db2.gz CJWILIXMSSKQFW-NRSPTQNISA-N 2 2 384.593 3.663 20 0 GHADLP CC1([NH+]2CCN(Cc3ccc(OCc4ccccc4)c(F)c3)CC2)CC[NH2+]CC1 ZINC001235821081 1041337599 /nfs/dbraw/zinc/33/75/99/1041337599.db2.gz ADPQUZNXVXYSEE-UHFFFAOYSA-N 2 2 397.538 3.664 20 0 GHADLP Cc1nc2cc(C[NH+]3CCC4(CCC[N@H+]4Cc4cnn(C)c4)CC3)ccc2s1 ZINC001235859993 1041389204 /nfs/dbraw/zinc/38/92/04/1041389204.db2.gz HVHPGZCJJYBGAH-UHFFFAOYSA-N 2 2 395.576 3.969 20 0 GHADLP Cc1nc2cc(C[NH+]3CCC4(CCC[N@@H+]4Cc4cnn(C)c4)CC3)ccc2s1 ZINC001235859993 1041389216 /nfs/dbraw/zinc/38/92/16/1041389216.db2.gz HVHPGZCJJYBGAH-UHFFFAOYSA-N 2 2 395.576 3.969 20 0 GHADLP Cc1nc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)ccc1Br ZINC001235977097 1041481504 /nfs/dbraw/zinc/48/15/04/1041481504.db2.gz JFQHWEVGRFWUDF-UHFFFAOYSA-N 2 2 386.337 3.790 20 0 GHADLP Cc1nc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)ccc1Br ZINC001235977097 1041481507 /nfs/dbraw/zinc/48/15/07/1041481507.db2.gz JFQHWEVGRFWUDF-UHFFFAOYSA-N 2 2 386.337 3.790 20 0 GHADLP C[C@H]([C@@H](Oc1ccccc1)c1ccccc1)[N@H+](C)Cc1cn2c(n1)C[NH2+]CC2 ZINC001236162203 1041584795 /nfs/dbraw/zinc/58/47/95/1041584795.db2.gz ZHJJIJYWLVBORO-WZONZLPQSA-N 2 2 376.504 3.627 20 0 GHADLP C[C@H]([C@@H](Oc1ccccc1)c1ccccc1)[N@@H+](C)Cc1cn2c(n1)C[NH2+]CC2 ZINC001236162203 1041584810 /nfs/dbraw/zinc/58/48/10/1041584810.db2.gz ZHJJIJYWLVBORO-WZONZLPQSA-N 2 2 376.504 3.627 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@H+](C)[C@@]3(C)CCC[NH2+]C3)c2n1 ZINC001236207099 1041618903 /nfs/dbraw/zinc/61/89/03/1041618903.db2.gz OSPJYKQOXBBOGT-SFHVURJKSA-N 2 2 378.314 3.580 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@@H+](C)[C@@]3(C)CCC[NH2+]C3)c2n1 ZINC001236207099 1041618915 /nfs/dbraw/zinc/61/89/15/1041618915.db2.gz OSPJYKQOXBBOGT-SFHVURJKSA-N 2 2 378.314 3.580 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236273778 1041649204 /nfs/dbraw/zinc/64/92/04/1041649204.db2.gz IMLFLXJGPYFMFG-DHIUTWEWSA-N 2 2 378.516 3.991 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236273778 1041649209 /nfs/dbraw/zinc/64/92/09/1041649209.db2.gz IMLFLXJGPYFMFG-DHIUTWEWSA-N 2 2 378.516 3.991 20 0 GHADLP C[NH+](C)Cc1c[nH]c2ncc(-c3cccc(Cl)c3C[NH+]3CCOCC3)cc12 ZINC001236280218 1041657238 /nfs/dbraw/zinc/65/72/38/1041657238.db2.gz YWQXRGJHXYFEGS-UHFFFAOYSA-N 2 2 384.911 3.777 20 0 GHADLP CCOCC[N@H+](Cc1cc(C)cc(Br)c1OCC)C1CC[NH2+]CC1 ZINC001236466392 1041728106 /nfs/dbraw/zinc/72/81/06/1041728106.db2.gz XSXFHDJJLMFVKH-UHFFFAOYSA-N 2 2 399.373 3.747 20 0 GHADLP CCOCC[N@@H+](Cc1cc(C)cc(Br)c1OCC)C1CC[NH2+]CC1 ZINC001236466392 1041728113 /nfs/dbraw/zinc/72/81/13/1041728113.db2.gz XSXFHDJJLMFVKH-UHFFFAOYSA-N 2 2 399.373 3.747 20 0 GHADLP CCOC1CCC([NH2+]C[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001256432496 1041729747 /nfs/dbraw/zinc/72/97/47/1041729747.db2.gz LLVCYGPMGWSJPI-BQCMWAFGSA-N 2 2 396.575 3.987 20 0 GHADLP COc1cc(C[N@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)cc(OC)c1 ZINC001236500249 1041741306 /nfs/dbraw/zinc/74/13/06/1041741306.db2.gz ZOOBWRXTGAILTG-UHFFFAOYSA-N 2 2 376.447 3.736 20 0 GHADLP COc1cc(C[N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)cc(OC)c1 ZINC001236500249 1041741315 /nfs/dbraw/zinc/74/13/15/1041741315.db2.gz ZOOBWRXTGAILTG-UHFFFAOYSA-N 2 2 376.447 3.736 20 0 GHADLP C[C@H]1C[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001256466124 1041746233 /nfs/dbraw/zinc/74/62/33/1041746233.db2.gz XKDBMRGQEYWIIZ-CADBVGFASA-N 2 2 388.556 3.946 20 0 GHADLP COc1ccc(C[N@H+](Cc2nc3ccc(F)cc3[nH]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544455 1041757441 /nfs/dbraw/zinc/75/74/41/1041757441.db2.gz DBKHOZOBSNCZQG-IYARVYRRSA-N 2 2 382.483 3.983 20 0 GHADLP COc1ccc(C[N@@H+](Cc2nc3ccc(F)cc3[nH]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544455 1041757444 /nfs/dbraw/zinc/75/74/44/1041757444.db2.gz DBKHOZOBSNCZQG-IYARVYRRSA-N 2 2 382.483 3.983 20 0 GHADLP COC[C@@H]1COCCC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)CC2 ZINC001236903173 1041947874 /nfs/dbraw/zinc/94/78/74/1041947874.db2.gz FXVHLOLPONVRCS-GOSISDBHSA-N 2 2 389.927 3.791 20 0 GHADLP Fc1ccc(N2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)CC2)nc1 ZINC001236913089 1041954063 /nfs/dbraw/zinc/95/40/63/1041954063.db2.gz IMQBTYMJSNCCEP-UHFFFAOYSA-N 2 2 385.874 3.772 20 0 GHADLP Fc1ccc(N2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)CC2)nc1 ZINC001236913089 1041954068 /nfs/dbraw/zinc/95/40/68/1041954068.db2.gz IMQBTYMJSNCCEP-UHFFFAOYSA-N 2 2 385.874 3.772 20 0 GHADLP FC1CC[NH+](C2CCN(Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC2)CC1 ZINC001236914095 1041954636 /nfs/dbraw/zinc/95/46/36/1041954636.db2.gz MUKMNBPXNTVROK-UHFFFAOYSA-N 2 2 376.907 3.924 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001236921268 1041959951 /nfs/dbraw/zinc/95/99/51/1041959951.db2.gz GUDZIXPDYMTKFZ-TZIWHRDSSA-N 2 2 387.911 3.686 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001236921268 1041959952 /nfs/dbraw/zinc/95/99/52/1041959952.db2.gz GUDZIXPDYMTKFZ-TZIWHRDSSA-N 2 2 387.911 3.686 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001237042474 1042003432 /nfs/dbraw/zinc/00/34/32/1042003432.db2.gz MRTILWAHHHIUEH-UKPHBRMFSA-N 2 2 376.413 3.816 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001237042474 1042003435 /nfs/dbraw/zinc/00/34/35/1042003435.db2.gz MRTILWAHHHIUEH-UKPHBRMFSA-N 2 2 376.413 3.816 20 0 GHADLP C[NH+]1CCN(c2cc(Br)ccc2C[N@@H+]2CCCC[C@H](F)C2)CC1 ZINC001237093672 1042032878 /nfs/dbraw/zinc/03/28/78/1042032878.db2.gz ZNHNTBMRAWZVRD-KRWDZBQOSA-N 2 2 384.337 3.525 20 0 GHADLP C[NH+]1CCN(c2cc(Br)ccc2C[N@H+]2CCCC[C@H](F)C2)CC1 ZINC001237093672 1042032883 /nfs/dbraw/zinc/03/28/83/1042032883.db2.gz ZNHNTBMRAWZVRD-KRWDZBQOSA-N 2 2 384.337 3.525 20 0 GHADLP FC(F)(F)c1ccccc1-c1cccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCO3)c1 ZINC001237142733 1042061789 /nfs/dbraw/zinc/06/17/89/1042061789.db2.gz OZQCXUFCYRYTEY-FQEVSTJZSA-N 2 2 376.422 3.937 20 0 GHADLP FC(F)(F)c1ccccc1-c1cccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCO3)c1 ZINC001237142733 1042061794 /nfs/dbraw/zinc/06/17/94/1042061794.db2.gz OZQCXUFCYRYTEY-FQEVSTJZSA-N 2 2 376.422 3.937 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3sc(=O)[nH]c3Cl)C[C@H]21 ZINC001237151203 1042065976 /nfs/dbraw/zinc/06/59/76/1042065976.db2.gz UUSQOMFYTHSHJR-NUEKZKHPSA-N 2 2 392.956 3.630 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3sc(=O)[nH]c3Cl)C[C@H]21 ZINC001237151203 1042065981 /nfs/dbraw/zinc/06/59/81/1042065981.db2.gz UUSQOMFYTHSHJR-NUEKZKHPSA-N 2 2 392.956 3.630 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3sc(=O)[nH]c3Cl)C[C@H]21 ZINC001237151203 1042065985 /nfs/dbraw/zinc/06/59/85/1042065985.db2.gz UUSQOMFYTHSHJR-NUEKZKHPSA-N 2 2 392.956 3.630 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3sc(=O)[nH]c3Cl)C[C@H]21 ZINC001237151203 1042065993 /nfs/dbraw/zinc/06/59/93/1042065993.db2.gz UUSQOMFYTHSHJR-NUEKZKHPSA-N 2 2 392.956 3.630 20 0 GHADLP Cc1cc(Cl)cc(C)c1C[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001237353131 1042163429 /nfs/dbraw/zinc/16/34/29/1042163429.db2.gz MNBBBZFNCICYNJ-UHFFFAOYSA-N 2 2 391.987 3.721 20 0 GHADLP Clc1ccc(CCC[N@@H+]2CC[C@H]3CN(CCn4cc[nH+]c4)C[C@H]32)cc1Cl ZINC001278123882 1042294135 /nfs/dbraw/zinc/29/41/35/1042294135.db2.gz ZZCOVUFBIPONMY-FXAWDEMLSA-N 2 2 393.362 3.829 20 0 GHADLP Clc1ccc(CCC[N@H+]2CC[C@H]3CN(CCn4cc[nH+]c4)C[C@H]32)cc1Cl ZINC001278123882 1042294139 /nfs/dbraw/zinc/29/41/39/1042294139.db2.gz ZZCOVUFBIPONMY-FXAWDEMLSA-N 2 2 393.362 3.829 20 0 GHADLP Cc1cc(C)c(Cl)c(C[N@@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)c1 ZINC001237703176 1042332243 /nfs/dbraw/zinc/33/22/43/1042332243.db2.gz AIFKKYGDVRUALV-UHFFFAOYSA-N 2 2 390.959 3.637 20 0 GHADLP Cc1cc(C)c(Cl)c(C[N@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)c1 ZINC001237703176 1042332252 /nfs/dbraw/zinc/33/22/52/1042332252.db2.gz AIFKKYGDVRUALV-UHFFFAOYSA-N 2 2 390.959 3.637 20 0 GHADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc(-c5ccccn5)n4)C[C@H]3C2)c1 ZINC001237833246 1042392201 /nfs/dbraw/zinc/39/22/01/1042392201.db2.gz LUCPVWCVLJGYFX-ROUUACIJSA-N 2 2 376.529 3.769 20 0 GHADLP COc1c(C)c[nH+]c(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001238176049 1042509944 /nfs/dbraw/zinc/50/99/44/1042509944.db2.gz KLMSAVIXWJYBRB-XKCSPQBFSA-N 2 2 394.563 3.835 20 0 GHADLP COc1c(C)c[nH+]c(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001238176049 1042509949 /nfs/dbraw/zinc/50/99/49/1042509949.db2.gz KLMSAVIXWJYBRB-XKCSPQBFSA-N 2 2 394.563 3.835 20 0 GHADLP COc1c(C)cnc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001238176049 1042509952 /nfs/dbraw/zinc/50/99/52/1042509952.db2.gz KLMSAVIXWJYBRB-XKCSPQBFSA-N 2 2 394.563 3.835 20 0 GHADLP COc1c(C)cnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001238176049 1042509955 /nfs/dbraw/zinc/50/99/55/1042509955.db2.gz KLMSAVIXWJYBRB-XKCSPQBFSA-N 2 2 394.563 3.835 20 0 GHADLP COc1c(C)cnc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001238176049 1042509961 /nfs/dbraw/zinc/50/99/61/1042509961.db2.gz KLMSAVIXWJYBRB-XKCSPQBFSA-N 2 2 394.563 3.835 20 0 GHADLP COCC[N@H+](Cc1ccc(F)c(OCc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001238343577 1042563370 /nfs/dbraw/zinc/56/33/70/1042563370.db2.gz JNCUWLIIJMURKY-UHFFFAOYSA-N 2 2 386.511 3.947 20 0 GHADLP COCC[N@@H+](Cc1ccc(F)c(OCc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001238343577 1042563373 /nfs/dbraw/zinc/56/33/73/1042563373.db2.gz JNCUWLIIJMURKY-UHFFFAOYSA-N 2 2 386.511 3.947 20 0 GHADLP CC(C)Oc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001238422584 1042591941 /nfs/dbraw/zinc/59/19/41/1042591941.db2.gz KUNYSHSBRXUBNV-CTNGQTDRSA-N 2 2 383.511 3.962 20 0 GHADLP CC(C)Oc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001238422584 1042591946 /nfs/dbraw/zinc/59/19/46/1042591946.db2.gz KUNYSHSBRXUBNV-CTNGQTDRSA-N 2 2 383.511 3.962 20 0 GHADLP CC(C)Oc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001238422584 1042591949 /nfs/dbraw/zinc/59/19/49/1042591949.db2.gz KUNYSHSBRXUBNV-CTNGQTDRSA-N 2 2 383.511 3.962 20 0 GHADLP CC(C)Oc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001238422584 1042591953 /nfs/dbraw/zinc/59/19/53/1042591953.db2.gz KUNYSHSBRXUBNV-CTNGQTDRSA-N 2 2 383.511 3.962 20 0 GHADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(=O)N3CCCCc4ccccc43)CC2)C1 ZINC001462633048 1070430498 /nfs/dbraw/zinc/43/04/98/1070430498.db2.gz ZKXMFDRCDBEDBY-KNQAVFIVSA-N 2 2 383.580 3.989 20 0 GHADLP CC1CCN(C(=O)c2ccc(-c3ccccc3C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC001240043652 1042875482 /nfs/dbraw/zinc/87/54/82/1042875482.db2.gz MFLJXVFNZIARDC-JOCHJYFZSA-N 2 2 377.532 3.759 20 0 GHADLP CC1CCN(C(=O)c2ccc(-c3ccccc3C[N@H+]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC001240043652 1042875484 /nfs/dbraw/zinc/87/54/84/1042875484.db2.gz MFLJXVFNZIARDC-JOCHJYFZSA-N 2 2 377.532 3.759 20 0 GHADLP CCOC(=O)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccnc1 ZINC001256532292 1043467630 /nfs/dbraw/zinc/46/76/30/1043467630.db2.gz XJUWSORZCYVNOK-NYVOZVTQSA-N 2 2 381.520 3.719 20 0 GHADLP CCOC(=O)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccnc1 ZINC001256532292 1043467644 /nfs/dbraw/zinc/46/76/44/1043467644.db2.gz XJUWSORZCYVNOK-NYVOZVTQSA-N 2 2 381.520 3.719 20 0 GHADLP COc1ccccc1N1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256538305 1043483681 /nfs/dbraw/zinc/48/36/81/1043483681.db2.gz RSFHFUGPFXYSDJ-UNMCSNQZSA-N 2 2 379.548 3.870 20 0 GHADLP COc1ccccc1N1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256538305 1043483701 /nfs/dbraw/zinc/48/37/01/1043483701.db2.gz RSFHFUGPFXYSDJ-UNMCSNQZSA-N 2 2 379.548 3.870 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256555432 1043524963 /nfs/dbraw/zinc/52/49/63/1043524963.db2.gz UYPGUKYREQWDEF-VDVKDMFPSA-N 2 2 375.560 3.998 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256555432 1043524971 /nfs/dbraw/zinc/52/49/71/1043524971.db2.gz UYPGUKYREQWDEF-VDVKDMFPSA-N 2 2 375.560 3.998 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001256555432 1043524979 /nfs/dbraw/zinc/52/49/79/1043524979.db2.gz UYPGUKYREQWDEF-VDVKDMFPSA-N 2 2 375.560 3.998 20 0 GHADLP C[C@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001256555432 1043524989 /nfs/dbraw/zinc/52/49/89/1043524989.db2.gz UYPGUKYREQWDEF-VDVKDMFPSA-N 2 2 375.560 3.998 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256556934 1043527513 /nfs/dbraw/zinc/52/75/13/1043527513.db2.gz JFWWVEVDFXPQJX-KSEOMHKRSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256556934 1043527518 /nfs/dbraw/zinc/52/75/18/1043527518.db2.gz JFWWVEVDFXPQJX-KSEOMHKRSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256556934 1043527523 /nfs/dbraw/zinc/52/75/23/1043527523.db2.gz JFWWVEVDFXPQJX-KSEOMHKRSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256556934 1043527533 /nfs/dbraw/zinc/52/75/33/1043527533.db2.gz JFWWVEVDFXPQJX-KSEOMHKRSA-N 2 2 380.536 3.681 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001256606231 1043571191 /nfs/dbraw/zinc/57/11/91/1043571191.db2.gz SDOOVYQMOQJKTH-TZIWHRDSSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001256606231 1043571202 /nfs/dbraw/zinc/57/12/02/1043571202.db2.gz SDOOVYQMOQJKTH-TZIWHRDSSA-N 2 2 385.552 3.592 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256608896 1043573950 /nfs/dbraw/zinc/57/39/50/1043573950.db2.gz JDJKZXZLMTTXOJ-QUCCMNQESA-N 2 2 387.568 3.886 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256608896 1043573957 /nfs/dbraw/zinc/57/39/57/1043573957.db2.gz JDJKZXZLMTTXOJ-QUCCMNQESA-N 2 2 387.568 3.886 20 0 GHADLP CN(C[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001256613598 1043576923 /nfs/dbraw/zinc/57/69/23/1043576923.db2.gz QDGZNUBXVOHKHV-OAQYLSRUSA-N 2 2 387.568 3.982 20 0 GHADLP CN(C[C@H]1CCC[N@H+]1C1CC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001256613598 1043576935 /nfs/dbraw/zinc/57/69/35/1043576935.db2.gz QDGZNUBXVOHKHV-OAQYLSRUSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C ZINC001256613473 1043577803 /nfs/dbraw/zinc/57/78/03/1043577803.db2.gz NQLLGLBSSLIJCV-IBGZPJMESA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C ZINC001256613473 1043577810 /nfs/dbraw/zinc/57/78/10/1043577810.db2.gz NQLLGLBSSLIJCV-IBGZPJMESA-N 2 2 387.568 3.982 20 0 GHADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001292071404 1043581906 /nfs/dbraw/zinc/58/19/06/1043581906.db2.gz JZCLDBIVBMESRU-WIYYLYMNSA-N 2 2 389.559 3.807 20 0 GHADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001292071404 1043581913 /nfs/dbraw/zinc/58/19/13/1043581913.db2.gz JZCLDBIVBMESRU-WIYYLYMNSA-N 2 2 389.559 3.807 20 0 GHADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001292071404 1043581924 /nfs/dbraw/zinc/58/19/24/1043581924.db2.gz JZCLDBIVBMESRU-WIYYLYMNSA-N 2 2 389.559 3.807 20 0 GHADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)C1 ZINC001292071404 1043581930 /nfs/dbraw/zinc/58/19/30/1043581930.db2.gz JZCLDBIVBMESRU-WIYYLYMNSA-N 2 2 389.559 3.807 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C2(CC2)C1 ZINC001256908957 1043735081 /nfs/dbraw/zinc/73/50/81/1043735081.db2.gz PFYSSYJVFBLRJT-MJGOQNOKSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C2(CC2)C1 ZINC001256908957 1043735090 /nfs/dbraw/zinc/73/50/90/1043735090.db2.gz PFYSSYJVFBLRJT-MJGOQNOKSA-N 2 2 377.573 3.773 20 0 GHADLP C[C@@H]1CC([NH2+]C[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)C[C@@H](C)O1 ZINC001257079068 1043834211 /nfs/dbraw/zinc/83/42/11/1043834211.db2.gz WXKQHAOXLFCNSX-REHUZNOOSA-N 2 2 382.548 3.595 20 0 GHADLP C[C@H]1CC(n2c[nH+]cc2C[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)C[C@H](C)O1 ZINC001257080040 1043835703 /nfs/dbraw/zinc/83/57/03/1043835703.db2.gz JSXAXLJFYKCXIT-WCJKSRRJSA-N 2 2 392.503 3.673 20 0 GHADLP CC[C@H]1C[C@H](n2c[nH+]c(C)c2CSCC[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257126124 1043873963 /nfs/dbraw/zinc/87/39/63/1043873963.db2.gz KMHTVFZARVGUEL-JKSUJKDBSA-N 2 2 382.574 3.734 20 0 GHADLP CCOC(=O)c1ccc(C[C@@H](C)[NH2+]CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001257152176 1043900865 /nfs/dbraw/zinc/90/08/65/1043900865.db2.gz UFZZNUJOYHPIPD-GOSISDBHSA-N 2 2 381.520 3.696 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]cc2-c2nnc([C@H]3C[C@@H]3c3ccc(Cl)cc3)o2)CC1 ZINC001257708159 1044125415 /nfs/dbraw/zinc/12/54/15/1044125415.db2.gz HRFWNAUUUPGEIX-SJORKVTESA-N 2 2 395.894 3.808 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]cc2-c2nnc([C@@H]3C[C@H]3c3ccc(Cl)cc3)o2)CC1 ZINC001257708156 1044125509 /nfs/dbraw/zinc/12/55/09/1044125509.db2.gz HRFWNAUUUPGEIX-DLBZAZTESA-N 2 2 395.894 3.808 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@H]([N@@H+]1Cc3ccccc3C[C@H]1C[NH3+])C2 ZINC001257808798 1044190896 /nfs/dbraw/zinc/19/08/96/1044190896.db2.gz RZWIMETYIXUKHR-AWRGLXIESA-N 2 2 399.579 3.942 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@H]([N@H+]1Cc3ccccc3C[C@H]1C[NH3+])C2 ZINC001257808798 1044190901 /nfs/dbraw/zinc/19/09/01/1044190901.db2.gz RZWIMETYIXUKHR-AWRGLXIESA-N 2 2 399.579 3.942 20 0 GHADLP CC[NH+](CC)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257972339 1044294265 /nfs/dbraw/zinc/29/42/65/1044294265.db2.gz YGSJWUQCONWIBG-RTWAWAEBSA-N 2 2 389.584 3.929 20 0 GHADLP CC(C)C[C@H](C)C[C@H](C)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001258073039 1044383458 /nfs/dbraw/zinc/38/34/58/1044383458.db2.gz APOQQQYNMDCJPV-VXKWHMMOSA-N 3 2 392.676 3.623 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@@H+]3C[C@@H]4C[C@H]3CN4Cc3ccccc3)CC2)cc1 ZINC001258142804 1044428848 /nfs/dbraw/zinc/42/88/48/1044428848.db2.gz BNXSKMPNGIJWMR-DQEYMECFSA-N 2 2 375.560 3.652 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@H+]3C[C@@H]4C[C@H]3CN4Cc3ccccc3)CC2)cc1 ZINC001258142804 1044428853 /nfs/dbraw/zinc/42/88/53/1044428853.db2.gz BNXSKMPNGIJWMR-DQEYMECFSA-N 2 2 375.560 3.652 20 0 GHADLP C[C@H](Cc1ccco1)[NH2+]C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001258178734 1044455923 /nfs/dbraw/zinc/45/59/23/1044455923.db2.gz LEJBMDGPWJOUHN-NFBKMPQASA-N 2 2 378.516 3.864 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCC3(CC[N@H+](Cc4cccc(OC)c4)C3)CC2)CC1 ZINC001258775063 1044759829 /nfs/dbraw/zinc/75/98/29/1044759829.db2.gz YJWVXBKDVWBVOD-UHFFFAOYSA-N 3 2 385.596 3.858 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCC3(CC[N@@H+](Cc4cccc(OC)c4)C3)CC2)CC1 ZINC001258775063 1044759847 /nfs/dbraw/zinc/75/98/47/1044759847.db2.gz YJWVXBKDVWBVOD-UHFFFAOYSA-N 3 2 385.596 3.858 20 0 GHADLP COc1cc(C[C@@H](C)[NH+]2CCC([NH+]3CCCCC3)CC2)cc(OC)c1OC ZINC001258870330 1044811883 /nfs/dbraw/zinc/81/18/83/1044811883.db2.gz SIWOAEVUTYOCJS-QGZVFWFLSA-N 2 2 376.541 3.594 20 0 GHADLP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001298378847 1045791230 /nfs/dbraw/zinc/79/12/30/1045791230.db2.gz RMWHZGTXKOZFSN-IRLDBZIGSA-N 2 2 382.552 3.636 20 0 GHADLP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001298378847 1045791242 /nfs/dbraw/zinc/79/12/42/1045791242.db2.gz RMWHZGTXKOZFSN-IRLDBZIGSA-N 2 2 382.552 3.636 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[NH+](CC)CC)cc1 ZINC001298681136 1045917102 /nfs/dbraw/zinc/91/71/02/1045917102.db2.gz FPHCRJZXYJDPKC-FCHUYYIVSA-N 2 2 397.567 3.552 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[NH+](CC)CC)cc1 ZINC001298681136 1045917107 /nfs/dbraw/zinc/91/71/07/1045917107.db2.gz FPHCRJZXYJDPKC-FCHUYYIVSA-N 2 2 397.567 3.552 20 0 GHADLP Cc1cc(OC[C@H](O)C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)c(C(C)C)cc1Cl ZINC000566968850 1046048131 /nfs/dbraw/zinc/04/81/31/1046048131.db2.gz JTFBKANAEDBDEZ-DLBZAZTESA-N 2 2 391.943 3.875 20 0 GHADLP Cc1[nH]c(-c2cccc(NC(=O)COc3ccc(CCC[NH3+])cc3)c2)[nH+]c1C ZINC001263096807 1046557665 /nfs/dbraw/zinc/55/76/65/1046557665.db2.gz CHNHRWHXLRBQJC-UHFFFAOYSA-N 2 2 378.476 3.602 20 0 GHADLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1occc1Br)CC2 ZINC001279132353 1047728102 /nfs/dbraw/zinc/72/81/02/1047728102.db2.gz LBJGESZMMCTIDY-UHFFFAOYSA-N 2 2 396.354 3.905 20 0 GHADLP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1c(F)ccc(Cl)c1F)CC2 ZINC001279425455 1047802338 /nfs/dbraw/zinc/80/23/38/1047802338.db2.gz FZDQRRWQODHCPN-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1c(F)ccc(Cl)c1F)CC2 ZINC001279425455 1047802349 /nfs/dbraw/zinc/80/23/49/1047802349.db2.gz FZDQRRWQODHCPN-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3c(F)ccc(F)c3Cl)C2)C1 ZINC001279442861 1047809466 /nfs/dbraw/zinc/80/94/66/1047809466.db2.gz YEULNTWMOBPJEI-HXUWFJFHSA-N 2 2 385.930 3.858 20 0 GHADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3c(F)ccc(F)c3Cl)C2)C1 ZINC001279442861 1047809476 /nfs/dbraw/zinc/80/94/76/1047809476.db2.gz YEULNTWMOBPJEI-HXUWFJFHSA-N 2 2 385.930 3.858 20 0 GHADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3c(F)cc(F)cc3Cl)C2)C1 ZINC001279469188 1047817554 /nfs/dbraw/zinc/81/75/54/1047817554.db2.gz NOJSWJIMKTYZIJ-HXUWFJFHSA-N 2 2 385.930 3.858 20 0 GHADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3c(F)cc(F)cc3Cl)C2)C1 ZINC001279469188 1047817559 /nfs/dbraw/zinc/81/75/59/1047817559.db2.gz NOJSWJIMKTYZIJ-HXUWFJFHSA-N 2 2 385.930 3.858 20 0 GHADLP Cn1ncc(Br)c1C[NH2+][C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001279613964 1047870562 /nfs/dbraw/zinc/87/05/62/1047870562.db2.gz NSVYIEZAWFHJHP-ZWKOTPCHSA-N 2 2 381.362 3.650 20 0 GHADLP Cc1csc(C[N@@H+]2CCC[C@@]3(CC[NH+](CCn4ccnc4)C3)C2)c1Cl ZINC001279658027 1047900590 /nfs/dbraw/zinc/90/05/90/1047900590.db2.gz UAMDRWXKZKTZCT-IBGZPJMESA-N 2 2 378.973 3.895 20 0 GHADLP Cc1csc(C[N@H+]2CCC[C@@]3(CC[NH+](CCn4ccnc4)C3)C2)c1Cl ZINC001279658027 1047900592 /nfs/dbraw/zinc/90/05/92/1047900592.db2.gz UAMDRWXKZKTZCT-IBGZPJMESA-N 2 2 378.973 3.895 20 0 GHADLP Cc1csc(C[NH+]2CCC[C@@]3(CC[N@H+](CCn4ccnc4)C3)C2)c1Cl ZINC001279658027 1047900602 /nfs/dbraw/zinc/90/06/02/1047900602.db2.gz UAMDRWXKZKTZCT-IBGZPJMESA-N 2 2 378.973 3.895 20 0 GHADLP Cc1csc(C[NH+]2CCC[C@@]3(CC[N@@H+](CCn4ccnc4)C3)C2)c1Cl ZINC001279658027 1047900605 /nfs/dbraw/zinc/90/06/05/1047900605.db2.gz UAMDRWXKZKTZCT-IBGZPJMESA-N 2 2 378.973 3.895 20 0 GHADLP O=c1[nH]cc(Br)cc1C[N@@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001279710441 1047929458 /nfs/dbraw/zinc/92/94/58/1047929458.db2.gz DPKSQGYIVVNUEM-IBGZPJMESA-N 2 2 394.357 3.780 20 0 GHADLP O=c1[nH]cc(Br)cc1C[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001279710441 1047929463 /nfs/dbraw/zinc/92/94/63/1047929463.db2.gz DPKSQGYIVVNUEM-IBGZPJMESA-N 2 2 394.357 3.780 20 0 GHADLP O=c1[nH]cc(Br)cc1C[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001279710441 1047929464 /nfs/dbraw/zinc/92/94/64/1047929464.db2.gz DPKSQGYIVVNUEM-IBGZPJMESA-N 2 2 394.357 3.780 20 0 GHADLP O=c1[nH]cc(Br)cc1C[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001279710441 1047929468 /nfs/dbraw/zinc/92/94/68/1047929468.db2.gz DPKSQGYIVVNUEM-IBGZPJMESA-N 2 2 394.357 3.780 20 0 GHADLP C[N@@H+]1CCCC2(CC[NH+](Cc3nc4cccc(Br)c4o3)CC2)C1 ZINC001279927455 1047991208 /nfs/dbraw/zinc/99/12/08/1047991208.db2.gz WZQPYWAPPVMQBO-UHFFFAOYSA-N 2 2 378.314 3.898 20 0 GHADLP C[N@H+]1CCCC2(CC[NH+](Cc3nc4cccc(Br)c4o3)CC2)C1 ZINC001279927455 1047991211 /nfs/dbraw/zinc/99/12/11/1047991211.db2.gz WZQPYWAPPVMQBO-UHFFFAOYSA-N 2 2 378.314 3.898 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC001307501680 1049342953 /nfs/dbraw/zinc/34/29/53/1049342953.db2.gz SQYRJJOBAVSZPV-MRXNPFEDSA-N 2 2 395.416 3.569 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC001307501680 1049342961 /nfs/dbraw/zinc/34/29/61/1049342961.db2.gz SQYRJJOBAVSZPV-MRXNPFEDSA-N 2 2 395.416 3.569 20 0 GHADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308040699 1049791768 /nfs/dbraw/zinc/79/17/68/1049791768.db2.gz OIDPABDSWIXBNX-MSOLQXFVSA-N 2 2 392.503 3.558 20 0 GHADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308040699 1049791770 /nfs/dbraw/zinc/79/17/70/1049791770.db2.gz OIDPABDSWIXBNX-MSOLQXFVSA-N 2 2 392.503 3.558 20 0 GHADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001308052770 1049801421 /nfs/dbraw/zinc/80/14/21/1049801421.db2.gz MLTAOURYVHQZRS-DHIUTWEWSA-N 2 2 393.531 3.763 20 0 GHADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001308052770 1049801426 /nfs/dbraw/zinc/80/14/26/1049801426.db2.gz MLTAOURYVHQZRS-DHIUTWEWSA-N 2 2 393.531 3.763 20 0 GHADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001308052770 1049801439 /nfs/dbraw/zinc/80/14/39/1049801439.db2.gz MLTAOURYVHQZRS-DHIUTWEWSA-N 2 2 393.531 3.763 20 0 GHADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001308052770 1049801446 /nfs/dbraw/zinc/80/14/46/1049801446.db2.gz MLTAOURYVHQZRS-DHIUTWEWSA-N 2 2 393.531 3.763 20 0 GHADLP CC[C@H]1C(=O)NCCC[N@H+]1C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001308102816 1049848321 /nfs/dbraw/zinc/84/83/21/1049848321.db2.gz ODRPJSKKBNEEEY-GOTSBHOMSA-N 2 2 379.548 3.503 20 0 GHADLP CC[C@H]1C(=O)NCCC[N@@H+]1C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001308102816 1049848329 /nfs/dbraw/zinc/84/83/29/1049848329.db2.gz ODRPJSKKBNEEEY-GOTSBHOMSA-N 2 2 379.548 3.503 20 0 GHADLP CC[C@H]1C(=O)NCCC[NH+]1C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001308102816 1049848341 /nfs/dbraw/zinc/84/83/41/1049848341.db2.gz ODRPJSKKBNEEEY-GOTSBHOMSA-N 2 2 379.548 3.503 20 0 GHADLP CC[C@H]1C(=O)NCCC[NH+]1C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001308102816 1049848355 /nfs/dbraw/zinc/84/83/55/1049848355.db2.gz ODRPJSKKBNEEEY-GOTSBHOMSA-N 2 2 379.548 3.503 20 0 GHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC001308188972 1049906543 /nfs/dbraw/zinc/90/65/43/1049906543.db2.gz PCAHZFCMSHNNJQ-UHFFFAOYSA-N 2 2 397.611 3.865 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2nc(Br)c[nH]2)C1 ZINC001308204456 1049911932 /nfs/dbraw/zinc/91/19/32/1049911932.db2.gz QSKKQXKKMHFXJM-HUUCEWRRSA-N 2 2 391.357 3.940 20 0 GHADLP Cc1[nH]c2ccc(C[NH2+]Cc3ccc(OCC[NH+]4CCOCC4)cc3)cc2c1C ZINC001308231732 1049920938 /nfs/dbraw/zinc/92/09/38/1049920938.db2.gz LFBFVPZQQRRFPC-UHFFFAOYSA-N 2 2 393.531 3.786 20 0 GHADLP C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001308753935 1050082883 /nfs/dbraw/zinc/08/28/83/1050082883.db2.gz WFEFXOZUKGXZCO-GBXCKJPGSA-N 2 2 380.532 3.981 20 0 GHADLP C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001308753935 1050082888 /nfs/dbraw/zinc/08/28/88/1050082888.db2.gz WFEFXOZUKGXZCO-GBXCKJPGSA-N 2 2 380.532 3.981 20 0 GHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCN(c4c(F)cccc4F)C3=O)CC2)C1 ZINC001308921675 1050173744 /nfs/dbraw/zinc/17/37/44/1050173744.db2.gz GDRYMVYJWMHAMN-MDYRTPRTSA-N 2 2 391.506 3.703 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1csc(C(=O)OC)c1 ZINC001308989441 1050249998 /nfs/dbraw/zinc/24/99/98/1050249998.db2.gz JRQOCFNPWZMBFN-UHFFFAOYSA-N 2 2 386.521 3.838 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccc([S@](C)=O)cc1 ZINC001330802693 1051111703 /nfs/dbraw/zinc/11/17/03/1051111703.db2.gz RGOGJBGHTZUPGH-MHZLTWQESA-N 2 2 384.549 3.728 20 0 GHADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001335865578 1052193864 /nfs/dbraw/zinc/19/38/64/1052193864.db2.gz GGJGBPYNEZBLRC-WOJBJXKFSA-N 2 2 379.508 3.596 20 0 GHADLP CN(C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001318463509 1054657712 /nfs/dbraw/zinc/65/77/12/1054657712.db2.gz FCWCCKCVZABBJQ-JOCHJYFZSA-N 2 2 397.607 3.643 20 0 GHADLP CN(C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001318463509 1054657729 /nfs/dbraw/zinc/65/77/29/1054657729.db2.gz FCWCCKCVZABBJQ-JOCHJYFZSA-N 2 2 397.607 3.643 20 0 GHADLP C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001474737092 1055137125 /nfs/dbraw/zinc/13/71/25/1055137125.db2.gz MWDHMKSGWZZRTM-PBHICJAKSA-N 2 2 386.321 3.686 20 0 GHADLP C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001474737092 1055137141 /nfs/dbraw/zinc/13/71/41/1055137141.db2.gz MWDHMKSGWZZRTM-PBHICJAKSA-N 2 2 386.321 3.686 20 0 GHADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001319490541 1055286732 /nfs/dbraw/zinc/28/67/32/1055286732.db2.gz NYEDLSXJHIRHGQ-MJGOQNOKSA-N 2 2 398.576 3.864 20 0 GHADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001319490541 1055286738 /nfs/dbraw/zinc/28/67/38/1055286738.db2.gz NYEDLSXJHIRHGQ-MJGOQNOKSA-N 2 2 398.576 3.864 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nc(C)sc2C)CC1 ZINC001319925723 1055546491 /nfs/dbraw/zinc/54/64/91/1055546491.db2.gz OPWKDULGBVCKOH-CQSZACIVSA-N 2 2 376.545 3.892 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1c(C)nc2sc(C)nn12 ZINC001474763492 1056441870 /nfs/dbraw/zinc/44/18/70/1056441870.db2.gz YTFGTFUYEREANE-UHFFFAOYSA-N 2 2 397.552 3.711 20 0 GHADLP C[C@@H](C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1)n1cc[nH+]c1 ZINC001323524713 1056981385 /nfs/dbraw/zinc/98/13/85/1056981385.db2.gz FPUPCUQLAQKSPV-FQEVSTJZSA-N 2 2 376.504 3.653 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1coc(-c2ccccc2)n1 ZINC001323990314 1057050287 /nfs/dbraw/zinc/05/02/87/1057050287.db2.gz GSYKOFKPWIYXAA-PGRDOPGGSA-N 2 2 376.504 3.779 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1coc(-c2ccccc2)n1 ZINC001323990314 1057050292 /nfs/dbraw/zinc/05/02/92/1057050292.db2.gz GSYKOFKPWIYXAA-PGRDOPGGSA-N 2 2 376.504 3.779 20 0 GHADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3cccnc3)ccc21 ZINC001325525096 1057337019 /nfs/dbraw/zinc/33/70/19/1057337019.db2.gz JLQKFGDDKBSVOB-FGZHOGPDSA-N 2 2 378.520 3.624 20 0 GHADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CCCC[N@H+]3Cc3cccnc3)ccc21 ZINC001325525096 1057337026 /nfs/dbraw/zinc/33/70/26/1057337026.db2.gz JLQKFGDDKBSVOB-FGZHOGPDSA-N 2 2 378.520 3.624 20 0 GHADLP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3cscc3C(F)(F)F)c2)CC1 ZINC001325878129 1057378524 /nfs/dbraw/zinc/37/85/24/1057378524.db2.gz IJUWFZHGZMZZNN-UHFFFAOYSA-N 2 2 383.483 3.804 20 0 GHADLP C[C@@H](NC(=[NH2+])NCCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1Cl ZINC000849069546 1057580420 /nfs/dbraw/zinc/58/04/20/1057580420.db2.gz QJVDFFFFNFRAHE-GFCCVEGCSA-N 2 2 380.323 3.944 20 0 GHADLP C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[N@@H+]1CCc2sccc2C1 ZINC000849090981 1057589660 /nfs/dbraw/zinc/58/96/60/1057589660.db2.gz WHXQKZFYIPOANQ-CYBMUJFWSA-N 2 2 396.482 3.828 20 0 GHADLP C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[N@H+]1CCc2sccc2C1 ZINC000849090981 1057589666 /nfs/dbraw/zinc/58/96/66/1057589666.db2.gz WHXQKZFYIPOANQ-CYBMUJFWSA-N 2 2 396.482 3.828 20 0 GHADLP CC[C@@H](C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1)[NH+](C)C ZINC001440683826 1058584330 /nfs/dbraw/zinc/58/43/30/1058584330.db2.gz YFVTULXWYPZNPR-IBGZPJMESA-N 2 2 389.540 3.539 20 0 GHADLP CN(C(=O)/C=C\c1cc(Cl)cc(Cl)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001338921484 1058883223 /nfs/dbraw/zinc/88/32/23/1058883223.db2.gz CIKQTMOGZJPTSB-ZRHASKPBSA-N 2 2 396.362 3.634 20 0 GHADLP CN(C(=O)/C=C\c1cc(Cl)cc(Cl)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001338921484 1058883241 /nfs/dbraw/zinc/88/32/41/1058883241.db2.gz CIKQTMOGZJPTSB-ZRHASKPBSA-N 2 2 396.362 3.634 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+]c2ccc(N3CC[NH+](C)CC3)c(C)c2)cc1O ZINC001339006364 1058921806 /nfs/dbraw/zinc/92/18/06/1058921806.db2.gz JEICFMULSNIOLK-SFHVURJKSA-N 2 2 383.536 3.894 20 0 GHADLP CN1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCSc4ccc(F)cc43)c2)CC1 ZINC001340528847 1059965021 /nfs/dbraw/zinc/96/50/21/1059965021.db2.gz PSEMLDQEGBHQFR-NRFANRHFSA-N 2 2 385.552 3.900 20 0 GHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[NH+](C)C ZINC001447822731 1060043987 /nfs/dbraw/zinc/04/39/87/1060043987.db2.gz TZFNAZHLFZTGGT-MBSDFSHPSA-N 2 2 376.504 3.531 20 0 GHADLP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001448572499 1060218794 /nfs/dbraw/zinc/21/87/94/1060218794.db2.gz RBARAMDYXSLTFV-SVFBPWRDSA-N 2 2 384.568 3.966 20 0 GHADLP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001448572499 1060218818 /nfs/dbraw/zinc/21/88/18/1060218818.db2.gz RBARAMDYXSLTFV-SVFBPWRDSA-N 2 2 384.568 3.966 20 0 GHADLP CCc1ccc(F)cc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001435866842 1062970759 /nfs/dbraw/zinc/97/07/59/1062970759.db2.gz XYTRTJNVFAYSAQ-VXKWHMMOSA-N 2 2 389.559 3.797 20 0 GHADLP CCc1ccc(F)cc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001435866842 1062970778 /nfs/dbraw/zinc/97/07/78/1062970778.db2.gz XYTRTJNVFAYSAQ-VXKWHMMOSA-N 2 2 389.559 3.797 20 0 GHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)CC2)cc1 ZINC001463908358 1064710719 /nfs/dbraw/zinc/71/07/19/1064710719.db2.gz UAMXTLUENABYJC-JOCHJYFZSA-N 2 2 399.966 3.986 20 0 GHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)CC2)cc1 ZINC001463908358 1064710731 /nfs/dbraw/zinc/71/07/31/1064710731.db2.gz UAMXTLUENABYJC-JOCHJYFZSA-N 2 2 399.966 3.986 20 0 GHADLP CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC001464380823 1064979945 /nfs/dbraw/zinc/97/99/45/1064979945.db2.gz MHZDFTCDQQELPR-OAQYLSRUSA-N 2 2 389.559 3.761 20 0 GHADLP CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC001464380823 1064979950 /nfs/dbraw/zinc/97/99/50/1064979950.db2.gz MHZDFTCDQQELPR-OAQYLSRUSA-N 2 2 389.559 3.761 20 0 GHADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001464633478 1065125169 /nfs/dbraw/zinc/12/51/69/1065125169.db2.gz WGCLIGZDMGUCJN-OYRHEFFESA-N 2 2 380.536 3.643 20 0 GHADLP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001465536489 1065698670 /nfs/dbraw/zinc/69/86/70/1065698670.db2.gz WKXVWSROZDAKET-YADHBBJMSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001465536489 1065698672 /nfs/dbraw/zinc/69/86/72/1065698672.db2.gz WKXVWSROZDAKET-YADHBBJMSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001465536489 1065698677 /nfs/dbraw/zinc/69/86/77/1065698677.db2.gz WKXVWSROZDAKET-YADHBBJMSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001465536489 1065698682 /nfs/dbraw/zinc/69/86/82/1065698682.db2.gz WKXVWSROZDAKET-YADHBBJMSA-N 2 2 387.543 3.561 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC001466095493 1065981737 /nfs/dbraw/zinc/98/17/37/1065981737.db2.gz FSOCAYKTMUSAOU-BDTNDASRSA-N 2 2 383.511 3.770 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC001466095493 1065981742 /nfs/dbraw/zinc/98/17/42/1065981742.db2.gz FSOCAYKTMUSAOU-BDTNDASRSA-N 2 2 383.511 3.770 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001466098315 1065982368 /nfs/dbraw/zinc/98/23/68/1065982368.db2.gz CJJICNDDWNEFAS-ZCNNSNEGSA-N 2 2 389.902 3.643 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001466098315 1065982370 /nfs/dbraw/zinc/98/23/70/1065982370.db2.gz CJJICNDDWNEFAS-ZCNNSNEGSA-N 2 2 389.902 3.643 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)c(N(C)C)[nH+]1 ZINC001466312818 1066086544 /nfs/dbraw/zinc/08/65/44/1066086544.db2.gz MXJOMKXIUXSRJE-SFHVURJKSA-N 2 2 380.536 3.738 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)NC[C@@H]3CC[N@@H+]3Cc3ccccc3)ccc21 ZINC001466668923 1066246616 /nfs/dbraw/zinc/24/66/16/1066246616.db2.gz CNWYEAHAOANOKL-FQEVSTJZSA-N 2 2 389.503 3.697 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)NC[C@@H]3CC[N@H+]3Cc3ccccc3)ccc21 ZINC001466668923 1066246630 /nfs/dbraw/zinc/24/66/30/1066246630.db2.gz CNWYEAHAOANOKL-FQEVSTJZSA-N 2 2 389.503 3.697 20 0 GHADLP C[C@H](C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC001468323658 1067684817 /nfs/dbraw/zinc/68/48/17/1067684817.db2.gz CBERZWZPAFCXRN-KZNAEPCWSA-N 2 2 378.520 3.844 20 0 GHADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(Br)c3ccccc3c1)CCO2 ZINC001460288989 1068908293 /nfs/dbraw/zinc/90/82/93/1068908293.db2.gz HCCJOZJPBSMXIB-UHFFFAOYSA-N 2 2 389.337 3.899 20 0 GHADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(Br)c3ccccc3c1)CCO2 ZINC001460288989 1068908294 /nfs/dbraw/zinc/90/82/94/1068908294.db2.gz HCCJOZJPBSMXIB-UHFFFAOYSA-N 2 2 389.337 3.899 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@@H+]3CCC[C@H](OC4CCC4)C3)CC2)cc1 ZINC001460317267 1068922095 /nfs/dbraw/zinc/92/20/95/1068922095.db2.gz ROODBRMVBSSBEW-QFIPXVFZSA-N 2 2 391.987 3.886 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@H+]3CCC[C@H](OC4CCC4)C3)CC2)cc1 ZINC001460317267 1068922098 /nfs/dbraw/zinc/92/20/98/1068922098.db2.gz ROODBRMVBSSBEW-QFIPXVFZSA-N 2 2 391.987 3.886 20 0 GHADLP Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H](c4c[nH+]cn4C(C)(C)C)C3)C2=O)cc1 ZINC001460973204 1069307248 /nfs/dbraw/zinc/30/72/48/1069307248.db2.gz LUPORLLASAWYPQ-QUCCMNQESA-N 2 2 380.536 3.931 20 0 GHADLP Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H](c4c[nH+]cn4C(C)(C)C)C3)C2=O)cc1 ZINC001460973204 1069307270 /nfs/dbraw/zinc/30/72/70/1069307270.db2.gz LUPORLLASAWYPQ-QUCCMNQESA-N 2 2 380.536 3.931 20 0 GHADLP Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)[C@H](c3ccc(Cl)cc3)[NH+](C)C)C2)c1 ZINC001470713844 1072701149 /nfs/dbraw/zinc/70/11/49/1072701149.db2.gz TXNHMQOTQPVVMK-RTWAWAEBSA-N 2 2 385.939 3.642 20 0 GHADLP Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](c3ccc(Cl)cc3)[NH+](C)C)C2)c1 ZINC001470713844 1072701154 /nfs/dbraw/zinc/70/11/54/1072701154.db2.gz TXNHMQOTQPVVMK-RTWAWAEBSA-N 2 2 385.939 3.642 20 0 GHADLP C[C@@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)c1c(Cl)cccc1Cl ZINC001471048397 1072903985 /nfs/dbraw/zinc/90/39/85/1072903985.db2.gz JSILKLQJSUOIRL-CYBMUJFWSA-N 2 2 393.318 3.882 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001471165383 1072949153 /nfs/dbraw/zinc/94/91/53/1072949153.db2.gz XIFATKWQKZIEDB-SFTDATJTSA-N 2 2 388.600 3.532 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001471165383 1072949155 /nfs/dbraw/zinc/94/91/55/1072949155.db2.gz XIFATKWQKZIEDB-SFTDATJTSA-N 2 2 388.600 3.532 20 0 GHADLP CC[N@H+](CCC1CCN(C(=O)NC[C@@H]2c3ccccc3C[NH+]2C)CC1)CC1CC1 ZINC001479142802 1079121492 /nfs/dbraw/zinc/12/14/92/1079121492.db2.gz QSYFUXBBEXIKFH-HSZRJFAPSA-N 2 2 398.595 3.717 20 0 GHADLP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2c3ccccc3C[NH+]2C)CC1)CC1CC1 ZINC001479142802 1079121495 /nfs/dbraw/zinc/12/14/95/1079121495.db2.gz QSYFUXBBEXIKFH-HSZRJFAPSA-N 2 2 398.595 3.717 20 0 GHADLP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CC1)CC1CC1 ZINC001479142802 1079121497 /nfs/dbraw/zinc/12/14/97/1079121497.db2.gz QSYFUXBBEXIKFH-HSZRJFAPSA-N 2 2 398.595 3.717 20 0 GHADLP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CC1)CC1CC1 ZINC001479142802 1079121498 /nfs/dbraw/zinc/12/14/98/1079121498.db2.gz QSYFUXBBEXIKFH-HSZRJFAPSA-N 2 2 398.595 3.717 20 0 GHADLP OCC[C@H]([NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC001473314166 1073917241 /nfs/dbraw/zinc/91/72/41/1073917241.db2.gz SCRBREVASCNIRZ-QFIPXVFZSA-N 2 2 394.003 3.773 20 0 GHADLP OCC1([NH2+]CC2CC2)CC[NH+](Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC001473534734 1074006566 /nfs/dbraw/zinc/00/65/66/1074006566.db2.gz OZGNGQLPLQFIHA-UHFFFAOYSA-N 2 2 398.522 3.731 20 0 GHADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2Br)C1 ZINC001473939788 1074212035 /nfs/dbraw/zinc/21/20/35/1074212035.db2.gz YXFZLDUCIJNPIJ-NSHDSACASA-N 2 2 376.136 3.643 20 0 GHADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2Br)C1 ZINC001473939788 1074212038 /nfs/dbraw/zinc/21/20/38/1074212038.db2.gz YXFZLDUCIJNPIJ-NSHDSACASA-N 2 2 376.136 3.643 20 0 GHADLP COc1nc2ccccc2cc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC001474078699 1074256761 /nfs/dbraw/zinc/25/67/61/1074256761.db2.gz QVNJIVGVSXXMHG-QGZVFWFLSA-N 2 2 376.504 3.954 20 0 GHADLP Brc1c[nH]c(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001474083156 1074258251 /nfs/dbraw/zinc/25/82/51/1074258251.db2.gz MTUBVNNXXFAJPY-GVDBMIGSSA-N 2 2 389.341 3.563 20 0 GHADLP Brc1c[nH]c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001474083156 1074258253 /nfs/dbraw/zinc/25/82/53/1074258253.db2.gz MTUBVNNXXFAJPY-GVDBMIGSSA-N 2 2 389.341 3.563 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001474339506 1074351321 /nfs/dbraw/zinc/35/13/21/1074351321.db2.gz KXGRJAHYLDYYEM-SFHVURJKSA-N 2 2 383.536 3.898 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001474339506 1074351327 /nfs/dbraw/zinc/35/13/27/1074351327.db2.gz KXGRJAHYLDYYEM-SFHVURJKSA-N 2 2 383.536 3.898 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CCCCNC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC001474436048 1074405393 /nfs/dbraw/zinc/40/53/93/1074405393.db2.gz UMUZAKBNMBYTBD-UYAOXDASSA-N 2 2 375.557 3.792 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CCCCNC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC001474436048 1074405397 /nfs/dbraw/zinc/40/53/97/1074405397.db2.gz UMUZAKBNMBYTBD-UYAOXDASSA-N 2 2 375.557 3.792 20 0 GHADLP COC(=O)c1cccc2c(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)ccnc12 ZINC001474501624 1074434798 /nfs/dbraw/zinc/43/47/98/1074434798.db2.gz ZKMTYGNDLBKHDN-UHFFFAOYSA-N 2 2 392.503 3.910 20 0 GHADLP COc1cc(F)cc(OC)c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001474712377 1074530067 /nfs/dbraw/zinc/53/00/67/1074530067.db2.gz BQRFMODXGMPQBX-MOPGFXCFSA-N 2 2 384.495 3.797 20 0 GHADLP COc1cc(F)cc(OC)c1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001474712377 1074530071 /nfs/dbraw/zinc/53/00/71/1074530071.db2.gz BQRFMODXGMPQBX-MOPGFXCFSA-N 2 2 384.495 3.797 20 0 GHADLP COc1cc(F)cc(OC)c1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001474712377 1074530074 /nfs/dbraw/zinc/53/00/74/1074530074.db2.gz BQRFMODXGMPQBX-MOPGFXCFSA-N 2 2 384.495 3.797 20 0 GHADLP COc1cc(F)cc(OC)c1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001474712377 1074530077 /nfs/dbraw/zinc/53/00/77/1074530077.db2.gz BQRFMODXGMPQBX-MOPGFXCFSA-N 2 2 384.495 3.797 20 0 GHADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3cccc(F)c3-c3nn[nH]n3)cc2)CC1 ZINC000736759477 599530508 /nfs/dbraw/zinc/53/05/08/599530508.db2.gz SAUOYFLHPRQUPH-UHFFFAOYSA-N 2 2 395.486 3.527 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC000826364008 608515257 /nfs/dbraw/zinc/51/52/57/608515257.db2.gz HWNCLCQYQDNAJM-SFTDATJTSA-N 2 2 399.502 3.551 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548675 609144302 /nfs/dbraw/zinc/14/43/02/609144302.db2.gz YXXMULFTXOZAGZ-CVEARBPZSA-N 2 2 394.498 3.882 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824578336 609331396 /nfs/dbraw/zinc/33/13/96/609331396.db2.gz SSBFUHHRMJGJFF-AEFFLSMTSA-N 2 2 394.498 3.569 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824578336 609331398 /nfs/dbraw/zinc/33/13/98/609331398.db2.gz SSBFUHHRMJGJFF-AEFFLSMTSA-N 2 2 394.498 3.569 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824532523 609338156 /nfs/dbraw/zinc/33/81/56/609338156.db2.gz VJTMDUNZAHQLSZ-UONOGXRCSA-N 2 2 377.427 3.603 20 0 GHADLP Cc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(C2CC2)[nH+]1 ZINC001164839790 720719335 /nfs/dbraw/zinc/71/93/35/720719335.db2.gz MWCHTFPDIRHCJM-OAQYLSRUSA-N 2 2 392.547 3.922 20 0 GHADLP Cc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(C2CC2)[nH+]1 ZINC001164839790 720719341 /nfs/dbraw/zinc/71/93/41/720719341.db2.gz MWCHTFPDIRHCJM-OAQYLSRUSA-N 2 2 392.547 3.922 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C(C)C)c[nH+]3)C2)C1 ZINC001164776325 721352623 /nfs/dbraw/zinc/35/26/23/721352623.db2.gz AQMLOHWQNYGKPH-HSZRJFAPSA-N 2 2 398.551 3.929 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C(C)C)c[nH+]3)C2)C1 ZINC001164776325 721352625 /nfs/dbraw/zinc/35/26/25/721352625.db2.gz AQMLOHWQNYGKPH-HSZRJFAPSA-N 2 2 398.551 3.929 20 0 GHADLP Cc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(C2CC2)[nH+]1 ZINC001165029051 721826815 /nfs/dbraw/zinc/82/68/15/721826815.db2.gz WRGWMABGIFVJMA-JBACZVJFSA-N 2 2 377.536 3.794 20 0 GHADLP Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(C2CC2)[nH+]1 ZINC001165029051 721826817 /nfs/dbraw/zinc/82/68/17/721826817.db2.gz WRGWMABGIFVJMA-JBACZVJFSA-N 2 2 377.536 3.794 20 0 GHADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000431787103 837497297 /nfs/dbraw/zinc/49/72/97/837497297.db2.gz GFPPUCBEMJRHTM-VQTJNVASSA-N 2 2 383.540 3.572 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000892648915 837532703 /nfs/dbraw/zinc/53/27/03/837532703.db2.gz HARUKFGIJUXRDX-XUWVNRHRSA-N 2 2 389.462 3.798 20 0 GHADLP Clc1ccccc1[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCCC1 ZINC000655692335 837673390 /nfs/dbraw/zinc/67/33/90/837673390.db2.gz UNSPKGUCDZACHZ-SIKLNZKXSA-N 2 2 391.987 3.710 20 0 GHADLP Clc1ccccc1[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCCC1 ZINC000655692335 837673394 /nfs/dbraw/zinc/67/33/94/837673394.db2.gz UNSPKGUCDZACHZ-SIKLNZKXSA-N 2 2 391.987 3.710 20 0 GHADLP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1OCC(C)C ZINC000655700838 837682737 /nfs/dbraw/zinc/68/27/37/837682737.db2.gz MSBNQPWZIWYHDX-FXAWDEMLSA-N 2 2 376.541 3.634 20 0 GHADLP COc1cccc(C([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2cccc(OC)c2)c1 ZINC000655719079 837731114 /nfs/dbraw/zinc/73/11/14/837731114.db2.gz PDRCZARTDCFFGJ-NRFANRHFSA-N 2 2 396.531 3.636 20 0 GHADLP Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(OCC(F)(F)F)c1 ZINC000655724493 837743211 /nfs/dbraw/zinc/74/32/11/837743211.db2.gz YRQLPDVTJIEQRW-GOSISDBHSA-N 2 2 386.458 3.669 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000431809823 837745131 /nfs/dbraw/zinc/74/51/31/837745131.db2.gz GPIBPPSCTFGZMU-PWRODBHTSA-N 2 2 391.506 3.623 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000431809823 837745135 /nfs/dbraw/zinc/74/51/35/837745135.db2.gz GPIBPPSCTFGZMU-PWRODBHTSA-N 2 2 391.506 3.623 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000431809823 837745141 /nfs/dbraw/zinc/74/51/41/837745141.db2.gz GPIBPPSCTFGZMU-PWRODBHTSA-N 2 2 391.506 3.623 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000431809823 837745144 /nfs/dbraw/zinc/74/51/44/837745144.db2.gz GPIBPPSCTFGZMU-PWRODBHTSA-N 2 2 391.506 3.623 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc(OC)c1OCc1ccccc1 ZINC000430148258 834570985 /nfs/dbraw/zinc/57/09/85/834570985.db2.gz NJGOWGDXUFKCHA-XMMPIXPASA-N 2 2 396.531 3.810 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc(OC)c1OCc1ccccc1 ZINC000430148258 834570993 /nfs/dbraw/zinc/57/09/93/834570993.db2.gz NJGOWGDXUFKCHA-XMMPIXPASA-N 2 2 396.531 3.810 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc(OC)c1OCc1ccccc1 ZINC000430148258 834571000 /nfs/dbraw/zinc/57/10/00/834571000.db2.gz NJGOWGDXUFKCHA-XMMPIXPASA-N 2 2 396.531 3.810 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc(OC)c1OCc1ccccc1 ZINC000430148258 834571006 /nfs/dbraw/zinc/57/10/06/834571006.db2.gz NJGOWGDXUFKCHA-XMMPIXPASA-N 2 2 396.531 3.810 20 0 GHADLP Brc1ccc(C2([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCC2)cc1 ZINC000655741512 837789233 /nfs/dbraw/zinc/78/92/33/837789233.db2.gz JTEZCHKVAXIRJP-SFHVURJKSA-N 2 2 379.342 3.671 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Br)c1 ZINC000579775302 834625210 /nfs/dbraw/zinc/62/52/10/834625210.db2.gz YMSMCBXFHGGNMM-KXBFYZLASA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Br)c1 ZINC000579775302 834625212 /nfs/dbraw/zinc/62/52/12/834625212.db2.gz YMSMCBXFHGGNMM-KXBFYZLASA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Br)c1 ZINC000579775302 834625216 /nfs/dbraw/zinc/62/52/16/834625216.db2.gz YMSMCBXFHGGNMM-KXBFYZLASA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Br)c1 ZINC000579775302 834625218 /nfs/dbraw/zinc/62/52/18/834625218.db2.gz YMSMCBXFHGGNMM-KXBFYZLASA-N 2 2 379.342 3.906 20 0 GHADLP CCC[NH+]1CCC(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000536082785 834723046 /nfs/dbraw/zinc/72/30/46/834723046.db2.gz VQBNVTQDJGCXNX-UHFFFAOYSA-N 2 2 379.508 3.598 20 0 GHADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000536083296 834725576 /nfs/dbraw/zinc/72/55/76/834725576.db2.gz SOIVTKRVTSIMKR-QZTJIDSGSA-N 2 2 393.535 3.986 20 0 GHADLP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000536217359 834837649 /nfs/dbraw/zinc/83/76/49/834837649.db2.gz ZQRNIVSQRHJCAA-NRFANRHFSA-N 2 2 383.561 3.785 20 0 GHADLP CN(C(=O)C(C)(C)Cc1ccc(Cl)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654968146 834879457 /nfs/dbraw/zinc/87/94/57/834879457.db2.gz SMQJYWBURVZXBX-HXUWFJFHSA-N 2 2 391.987 3.536 20 0 GHADLP CN(C(=O)C(C)(C)Cc1ccc(Cl)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654968146 834879470 /nfs/dbraw/zinc/87/94/70/834879470.db2.gz SMQJYWBURVZXBX-HXUWFJFHSA-N 2 2 391.987 3.536 20 0 GHADLP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000151133554 835004633 /nfs/dbraw/zinc/00/46/33/835004633.db2.gz YVHKHVLAVWYTQP-ROUUACIJSA-N 2 2 382.552 3.961 20 0 GHADLP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000151133554 835004644 /nfs/dbraw/zinc/00/46/44/835004644.db2.gz YVHKHVLAVWYTQP-ROUUACIJSA-N 2 2 382.552 3.961 20 0 GHADLP CN(Cc1ccccc1OCc1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457825 835023178 /nfs/dbraw/zinc/02/31/78/835023178.db2.gz PILJCDOCAVMZOC-DEOSSOPVSA-N 2 2 393.575 3.866 20 0 GHADLP CN(Cc1ccccc1OCc1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457825 835023187 /nfs/dbraw/zinc/02/31/87/835023187.db2.gz PILJCDOCAVMZOC-DEOSSOPVSA-N 2 2 393.575 3.866 20 0 GHADLP CCOc1c(Br)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000685469984 835034547 /nfs/dbraw/zinc/03/45/47/835034547.db2.gz CJWTXRRAOPVROO-CJNGLKHVSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000685469984 835034556 /nfs/dbraw/zinc/03/45/56/835034556.db2.gz CJWTXRRAOPVROO-CJNGLKHVSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000685469984 835034566 /nfs/dbraw/zinc/03/45/66/835034566.db2.gz CJWTXRRAOPVROO-CJNGLKHVSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000685469984 835034568 /nfs/dbraw/zinc/03/45/68/835034568.db2.gz CJWTXRRAOPVROO-CJNGLKHVSA-N 2 2 385.346 3.628 20 0 GHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000685470860 835035675 /nfs/dbraw/zinc/03/56/75/835035675.db2.gz WDRFCKBFTWJUIP-QFBILLFUSA-N 2 2 389.341 3.551 20 0 GHADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000685470860 835035689 /nfs/dbraw/zinc/03/56/89/835035689.db2.gz WDRFCKBFTWJUIP-QFBILLFUSA-N 2 2 389.341 3.551 20 0 GHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000685470860 835035696 /nfs/dbraw/zinc/03/56/96/835035696.db2.gz WDRFCKBFTWJUIP-QFBILLFUSA-N 2 2 389.341 3.551 20 0 GHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000685470860 835035704 /nfs/dbraw/zinc/03/57/04/835035704.db2.gz WDRFCKBFTWJUIP-QFBILLFUSA-N 2 2 389.341 3.551 20 0 GHADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000685470852 835035801 /nfs/dbraw/zinc/03/58/01/835035801.db2.gz WDRFCKBFTWJUIP-APWZRJJASA-N 2 2 389.341 3.551 20 0 GHADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000685470852 835035813 /nfs/dbraw/zinc/03/58/13/835035813.db2.gz WDRFCKBFTWJUIP-APWZRJJASA-N 2 2 389.341 3.551 20 0 GHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000685470852 835035821 /nfs/dbraw/zinc/03/58/21/835035821.db2.gz WDRFCKBFTWJUIP-APWZRJJASA-N 2 2 389.341 3.551 20 0 GHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000685470852 835035832 /nfs/dbraw/zinc/03/58/32/835035832.db2.gz WDRFCKBFTWJUIP-APWZRJJASA-N 2 2 389.341 3.551 20 0 GHADLP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)C(F)(F)F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000579824692 835224316 /nfs/dbraw/zinc/22/43/16/835224316.db2.gz RBSAAYWLGJVDGW-SNPRPXQTSA-N 2 2 384.364 3.601 20 0 GHADLP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)C(F)(F)F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000579824692 835224321 /nfs/dbraw/zinc/22/43/21/835224321.db2.gz RBSAAYWLGJVDGW-SNPRPXQTSA-N 2 2 384.364 3.601 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4nc(N5CCCC5)cc[nH+]4)C3)C2)cc1 ZINC000080686013 835225910 /nfs/dbraw/zinc/22/59/10/835225910.db2.gz QBQZJPLQAVEWPM-HSZRJFAPSA-N 2 2 377.536 3.569 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@]3(CCN(c4nc(N5CCCC5)cc[nH+]4)C3)C2)cc1 ZINC000080686013 835225914 /nfs/dbraw/zinc/22/59/14/835225914.db2.gz QBQZJPLQAVEWPM-HSZRJFAPSA-N 2 2 377.536 3.569 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000685652100 835263747 /nfs/dbraw/zinc/26/37/47/835263747.db2.gz IXHIMWPNHMGORX-HMXCVIKNSA-N 2 2 389.503 3.757 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000685652100 835263756 /nfs/dbraw/zinc/26/37/56/835263756.db2.gz IXHIMWPNHMGORX-HMXCVIKNSA-N 2 2 389.503 3.757 20 0 GHADLP CCC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000154382979 835590800 /nfs/dbraw/zinc/59/08/00/835590800.db2.gz YFMLEXVFGRHZTR-QFIPXVFZSA-N 2 2 386.584 3.856 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCc3cccnc3CC2)CCOCC1)c1ccccc1 ZINC000421829075 835655027 /nfs/dbraw/zinc/65/50/27/835655027.db2.gz GQUOWQSMZMUMHJ-SIKLNZKXSA-N 2 2 379.548 3.819 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cc4cnccc4o3)cc2)CC1 ZINC000657839146 835897360 /nfs/dbraw/zinc/89/73/60/835897360.db2.gz MXVDEXNWVRQGGU-GOSISDBHSA-N 2 2 378.520 3.816 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3csc(C4CCCCC4)n3)C2)CC1 ZINC000375907164 836182573 /nfs/dbraw/zinc/18/25/73/836182573.db2.gz ROMXKSBXMMCTOV-FQEVSTJZSA-N 2 2 376.614 3.791 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc(C4CCCCC4)n3)C2)CC1 ZINC000375907164 836182578 /nfs/dbraw/zinc/18/25/78/836182578.db2.gz ROMXKSBXMMCTOV-FQEVSTJZSA-N 2 2 376.614 3.791 20 0 GHADLP COc1cc(C)c(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1OC ZINC000092645289 844144996 /nfs/dbraw/zinc/14/49/96/844144996.db2.gz ROYYUCMCRRNXDZ-UHFFFAOYSA-N 2 2 383.536 3.546 20 0 GHADLP COc1cc(C)c(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1OC ZINC000092645289 844145003 /nfs/dbraw/zinc/14/50/03/844145003.db2.gz ROYYUCMCRRNXDZ-UHFFFAOYSA-N 2 2 383.536 3.546 20 0 GHADLP c1cc2c(cccc2C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)[nH]1 ZINC000092669017 844150563 /nfs/dbraw/zinc/15/05/63/844150563.db2.gz BMHXYJLXNMVIBL-FQEVSTJZSA-N 2 2 389.547 3.597 20 0 GHADLP c1cc2c(cccc2C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)[nH]1 ZINC000092669017 844150566 /nfs/dbraw/zinc/15/05/66/844150566.db2.gz BMHXYJLXNMVIBL-FQEVSTJZSA-N 2 2 389.547 3.597 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)ccc1Br ZINC000174294529 836417339 /nfs/dbraw/zinc/41/73/39/836417339.db2.gz RENWRAQOVXQNJZ-AWEZNQCLSA-N 2 2 382.346 3.547 20 0 GHADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nnc(-c4ccccc4)s3)CC2)C[C@@H](C)O1 ZINC000155163321 836492192 /nfs/dbraw/zinc/49/21/92/836492192.db2.gz FMJCVUIBEYWCPP-IAGOWNOFSA-N 2 2 386.565 3.526 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000066007457 836512379 /nfs/dbraw/zinc/51/23/79/836512379.db2.gz MGKAKQXFPVNKFL-UHFFFAOYSA-N 2 2 389.396 3.648 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000066007457 836512386 /nfs/dbraw/zinc/51/23/86/836512386.db2.gz MGKAKQXFPVNKFL-UHFFFAOYSA-N 2 2 389.396 3.648 20 0 GHADLP CC(C)[NH+](CCCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000511365231 836629431 /nfs/dbraw/zinc/62/94/31/836629431.db2.gz FKSIXXZTUCPBPI-RTWAWAEBSA-N 2 2 381.992 3.810 20 0 GHADLP CC(C)[NH+](CCCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000511365231 836629435 /nfs/dbraw/zinc/62/94/35/836629435.db2.gz FKSIXXZTUCPBPI-RTWAWAEBSA-N 2 2 381.992 3.810 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000155233986 836630296 /nfs/dbraw/zinc/63/02/96/836630296.db2.gz VGIOOGHQOGBUAZ-HXUWFJFHSA-N 2 2 388.515 3.668 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000155233986 836630302 /nfs/dbraw/zinc/63/03/02/836630302.db2.gz VGIOOGHQOGBUAZ-HXUWFJFHSA-N 2 2 388.515 3.668 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCN1Cc1ccccc1 ZINC000580073542 837213644 /nfs/dbraw/zinc/21/36/44/837213644.db2.gz NKVVDNIEFUQIRB-XZOQPEGZSA-N 2 2 389.543 3.574 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCN1Cc1ccccc1 ZINC000580073542 837213659 /nfs/dbraw/zinc/21/36/59/837213659.db2.gz NKVVDNIEFUQIRB-XZOQPEGZSA-N 2 2 389.543 3.574 20 0 GHADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000579925716 837370987 /nfs/dbraw/zinc/37/09/87/837370987.db2.gz DUOIQMAOSHRBGQ-IEBWSBKVSA-N 2 2 392.906 3.714 20 0 GHADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000579925716 837370997 /nfs/dbraw/zinc/37/09/97/837370997.db2.gz DUOIQMAOSHRBGQ-IEBWSBKVSA-N 2 2 392.906 3.714 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849352 838054486 /nfs/dbraw/zinc/05/44/86/838054486.db2.gz OALGZMIHZJYHNK-NSISKUIASA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849352 838054495 /nfs/dbraw/zinc/05/44/95/838054495.db2.gz OALGZMIHZJYHNK-NSISKUIASA-N 2 2 377.960 3.684 20 0 GHADLP C[C@@H](c1cccc(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)c1)[NH+]1CCOCC1 ZINC000659291272 838214869 /nfs/dbraw/zinc/21/48/69/838214869.db2.gz FQUSQEKIVFMJIY-UWJYYQICSA-N 2 2 393.531 3.711 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccccc1C[NH2+]C ZINC000415913310 838269218 /nfs/dbraw/zinc/26/92/18/838269218.db2.gz POBATGLNRWLYSA-UHFFFAOYSA-N 2 2 381.524 3.571 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000580155024 838980745 /nfs/dbraw/zinc/98/07/45/838980745.db2.gz WMBZJOZNTJERTN-DZFIZOCASA-N 2 2 399.501 3.763 20 0 GHADLP CN(C(=O)c1ccc(F)cc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124566185 839110572 /nfs/dbraw/zinc/11/05/72/839110572.db2.gz FHTNNEMTDKBUBJ-PMACEKPBSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1ccc(F)cc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124566185 839110578 /nfs/dbraw/zinc/11/05/78/839110578.db2.gz FHTNNEMTDKBUBJ-PMACEKPBSA-N 2 2 395.950 3.888 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000124681771 839156124 /nfs/dbraw/zinc/15/61/24/839156124.db2.gz SGDPETNYHVAZIX-FFZOFVMBSA-N 2 2 377.598 3.647 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000124681771 839156136 /nfs/dbraw/zinc/15/61/36/839156136.db2.gz SGDPETNYHVAZIX-FFZOFVMBSA-N 2 2 377.598 3.647 20 0 GHADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000415136787 839262650 /nfs/dbraw/zinc/26/26/50/839262650.db2.gz SDBBXOLPYMTMCM-QPPBQGQZSA-N 3 2 398.639 3.613 20 0 GHADLP NC1(C[NH2+]Cc2ncc(-c3ccccc3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000415139033 839265299 /nfs/dbraw/zinc/26/52/99/839265299.db2.gz WKXAGFQLOKKGSD-UHFFFAOYSA-N 2 2 392.572 3.893 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000549841631 844441887 /nfs/dbraw/zinc/44/18/87/844441887.db2.gz XILIXIMBKJNGEL-XLNZFTOWSA-N 2 2 383.580 3.549 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000549841631 844441894 /nfs/dbraw/zinc/44/18/94/844441894.db2.gz XILIXIMBKJNGEL-XLNZFTOWSA-N 2 2 383.580 3.549 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000549841631 844441897 /nfs/dbraw/zinc/44/18/97/844441897.db2.gz XILIXIMBKJNGEL-XLNZFTOWSA-N 2 2 383.580 3.549 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000549841631 844441901 /nfs/dbraw/zinc/44/19/01/844441901.db2.gz XILIXIMBKJNGEL-XLNZFTOWSA-N 2 2 383.580 3.549 20 0 GHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000656256172 839848992 /nfs/dbraw/zinc/84/89/92/839848992.db2.gz UIRHJFDYVPJBEG-INIZCTEOSA-N 2 2 391.357 3.717 20 0 GHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000656256172 839849003 /nfs/dbraw/zinc/84/90/03/839849003.db2.gz UIRHJFDYVPJBEG-INIZCTEOSA-N 2 2 391.357 3.717 20 0 GHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000656256172 839849009 /nfs/dbraw/zinc/84/90/09/839849009.db2.gz UIRHJFDYVPJBEG-INIZCTEOSA-N 2 2 391.357 3.717 20 0 GHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000656256172 839849018 /nfs/dbraw/zinc/84/90/18/839849018.db2.gz UIRHJFDYVPJBEG-INIZCTEOSA-N 2 2 391.357 3.717 20 0 GHADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000581006074 840585486 /nfs/dbraw/zinc/58/54/86/840585486.db2.gz YFFVTSDGKJPDGU-WCQYABFASA-N 2 2 389.853 3.802 20 0 GHADLP Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(C)c1 ZINC000660479808 840630335 /nfs/dbraw/zinc/63/03/35/840630335.db2.gz PAJRXSDZXPSNEJ-OAQYLSRUSA-N 2 2 387.568 3.517 20 0 GHADLP Cc1cc(C)c(NC(=O)CCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(C)c1 ZINC000660479808 840630340 /nfs/dbraw/zinc/63/03/40/840630340.db2.gz PAJRXSDZXPSNEJ-OAQYLSRUSA-N 2 2 387.568 3.517 20 0 GHADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cscc3C(F)(F)F)cc2)CC1 ZINC000581064702 840657899 /nfs/dbraw/zinc/65/78/99/840657899.db2.gz XPXDNFZUEKINJN-UHFFFAOYSA-N 2 2 383.483 3.804 20 0 GHADLP C[C@@H](c1nc2ccccc2o1)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511809742 840823872 /nfs/dbraw/zinc/82/38/72/840823872.db2.gz MLKZWCFJDSSRLU-IBGZPJMESA-N 2 2 378.520 3.638 20 0 GHADLP C[C@@H](c1nc2ccccc2o1)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511809742 840823882 /nfs/dbraw/zinc/82/38/82/840823882.db2.gz MLKZWCFJDSSRLU-IBGZPJMESA-N 2 2 378.520 3.638 20 0 GHADLP O[C@H](COc1ccc2ccccc2c1)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660672624 841082433 /nfs/dbraw/zinc/08/24/33/841082433.db2.gz AFCICBLRFXNBQM-DEOSSOPVSA-N 2 2 390.527 3.834 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000660707109 841122474 /nfs/dbraw/zinc/12/24/74/841122474.db2.gz CCIFXKXJFNTQIC-MRXNPFEDSA-N 2 2 377.964 3.625 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000660707109 841122478 /nfs/dbraw/zinc/12/24/78/841122478.db2.gz CCIFXKXJFNTQIC-MRXNPFEDSA-N 2 2 377.964 3.625 20 0 GHADLP Cc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc(N2CCCC2)n1 ZINC000581517922 841578105 /nfs/dbraw/zinc/57/81/05/841578105.db2.gz DAKAOKORCJREPJ-UHFFFAOYSA-N 2 2 378.564 3.787 20 0 GHADLP CCCCCn1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000558176449 841865346 /nfs/dbraw/zinc/86/53/46/841865346.db2.gz NRPGDRWQWXKFMY-UHFFFAOYSA-N 2 2 398.595 3.930 20 0 GHADLP CCCCCn1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000558176449 841865353 /nfs/dbraw/zinc/86/53/53/841865353.db2.gz NRPGDRWQWXKFMY-UHFFFAOYSA-N 2 2 398.595 3.930 20 0 GHADLP C[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Oc1cccc(Br)c1 ZINC000512036241 842245638 /nfs/dbraw/zinc/24/56/38/842245638.db2.gz FUQORAPARTXUHO-GFCCVEGCSA-N 2 2 384.343 3.524 20 0 GHADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000512044700 842299627 /nfs/dbraw/zinc/29/96/27/842299627.db2.gz HANNKSMHTATDKQ-XPNTWCBSSA-N 2 2 387.612 3.718 20 0 GHADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000512044700 842299634 /nfs/dbraw/zinc/29/96/34/842299634.db2.gz HANNKSMHTATDKQ-XPNTWCBSSA-N 2 2 387.612 3.718 20 0 GHADLP CC(C)N1CC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000511907834 842357964 /nfs/dbraw/zinc/35/79/64/842357964.db2.gz DOVIEGROYYSRDO-QUCCMNQESA-N 2 2 394.535 3.797 20 0 GHADLP COc1cccc(OC)c1C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000512087958 842456036 /nfs/dbraw/zinc/45/60/36/842456036.db2.gz MKEOUCHXLBPDQQ-HDICACEKSA-N 2 2 384.520 3.603 20 0 GHADLP C[C@@H](CC[N@@H+]1CCOC(C2CC2)(C2CC2)C1)[NH+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661995074 842460657 /nfs/dbraw/zinc/46/06/57/842460657.db2.gz BAPLUINDCSIYTP-SFHVURJKSA-N 2 2 388.596 3.547 20 0 GHADLP C[C@@H](CC[N@H+]1CCOC(C2CC2)(C2CC2)C1)[NH+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661995074 842460661 /nfs/dbraw/zinc/46/06/61/842460661.db2.gz BAPLUINDCSIYTP-SFHVURJKSA-N 2 2 388.596 3.547 20 0 GHADLP C[C@@H](CC[NH+]1CCOC(C2CC2)(C2CC2)C1)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661995074 842460668 /nfs/dbraw/zinc/46/06/68/842460668.db2.gz BAPLUINDCSIYTP-SFHVURJKSA-N 2 2 388.596 3.547 20 0 GHADLP C[C@@H](CC[NH+]1CCOC(C2CC2)(C2CC2)C1)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661995074 842460673 /nfs/dbraw/zinc/46/06/73/842460673.db2.gz BAPLUINDCSIYTP-SFHVURJKSA-N 2 2 388.596 3.547 20 0 GHADLP CCc1ccc([C@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)[NH+](CC)CC)cc1 ZINC000432441374 842512121 /nfs/dbraw/zinc/51/21/21/842512121.db2.gz KHYDOISCIHVNEE-NRFANRHFSA-N 2 2 397.567 3.944 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1cccc(OCC[NH+](C)C)c1 ZINC000581899038 842537103 /nfs/dbraw/zinc/53/71/03/842537103.db2.gz XMHAUMWVSMGUGJ-KBPBESRZSA-N 2 2 393.329 3.591 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603882646 861321495 /nfs/dbraw/zinc/32/14/95/861321495.db2.gz TTZPBSWMADVYLC-KRWDZBQOSA-N 2 2 378.476 3.840 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603882646 861321513 /nfs/dbraw/zinc/32/15/13/861321513.db2.gz TTZPBSWMADVYLC-KRWDZBQOSA-N 2 2 378.476 3.840 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3c(Cl)oc4ccccc43)CC2)CC1 ZINC000652462064 842587001 /nfs/dbraw/zinc/58/70/01/842587001.db2.gz YRQDNWYLEHFMLU-UHFFFAOYSA-N 2 2 389.927 3.718 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3c(Cl)oc4ccccc43)CC2)CC1 ZINC000652462064 842587013 /nfs/dbraw/zinc/58/70/13/842587013.db2.gz YRQDNWYLEHFMLU-UHFFFAOYSA-N 2 2 389.927 3.718 20 0 GHADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548337803 842679299 /nfs/dbraw/zinc/67/92/99/842679299.db2.gz FSEFGVACPCXUFA-HOTGVXAUSA-N 2 2 386.927 3.998 20 0 GHADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548337803 842679306 /nfs/dbraw/zinc/67/93/06/842679306.db2.gz FSEFGVACPCXUFA-HOTGVXAUSA-N 2 2 386.927 3.998 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178216217 861337486 /nfs/dbraw/zinc/33/74/86/861337486.db2.gz XBBUZCARBAIXFB-FQEVSTJZSA-N 2 2 384.568 3.733 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178216217 861337491 /nfs/dbraw/zinc/33/74/91/861337491.db2.gz XBBUZCARBAIXFB-FQEVSTJZSA-N 2 2 384.568 3.733 20 0 GHADLP C[C@H]1CC[C@@H](c2ccccc2)[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000512191977 842884901 /nfs/dbraw/zinc/88/49/01/842884901.db2.gz CCMOLLXHOMAKQH-UNMCSNQZSA-N 2 2 392.547 3.594 20 0 GHADLP C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000512191977 842884921 /nfs/dbraw/zinc/88/49/21/842884921.db2.gz CCMOLLXHOMAKQH-UNMCSNQZSA-N 2 2 392.547 3.594 20 0 GHADLP C[C@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178554165 842945908 /nfs/dbraw/zinc/94/59/08/842945908.db2.gz HUQOFQFKNDGJKM-KXBFYZLASA-N 2 2 375.394 3.973 20 0 GHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Br)c(Br)s1 ZINC000227807117 842982646 /nfs/dbraw/zinc/98/26/46/842982646.db2.gz WCBZRCILKKRLMU-QMMMGPOBSA-N 2 2 379.121 3.648 20 0 GHADLP CC(=O)N(c1nc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cs1)c1ccc(F)cc1 ZINC000430913768 843173555 /nfs/dbraw/zinc/17/35/55/843173555.db2.gz XZDJOADXFBGBMA-UHFFFAOYSA-N 2 2 388.512 3.542 20 0 GHADLP Cc1cc(C)n(-c2ccc(CNc3cccc(C[N@@H+]4CC[C@@H]([NH3+])C4)c3)cc2)n1 ZINC001167800004 843215447 /nfs/dbraw/zinc/21/54/47/843215447.db2.gz MGMRCHCMNYCMPJ-OAQYLSRUSA-N 2 2 375.520 3.634 20 0 GHADLP Cc1cc(C)n(-c2ccc(CNc3cccc(C[N@H+]4CC[C@@H]([NH3+])C4)c3)cc2)n1 ZINC001167800004 843215455 /nfs/dbraw/zinc/21/54/55/843215455.db2.gz MGMRCHCMNYCMPJ-OAQYLSRUSA-N 2 2 375.520 3.634 20 0 GHADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346491 843262838 /nfs/dbraw/zinc/26/28/38/843262838.db2.gz SAYORPBTTBACOF-HNNXBMFYSA-N 2 2 380.458 3.804 20 0 GHADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346491 843262851 /nfs/dbraw/zinc/26/28/51/843262851.db2.gz SAYORPBTTBACOF-HNNXBMFYSA-N 2 2 380.458 3.804 20 0 GHADLP COc1ccc(C(=O)CC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512292402 843329511 /nfs/dbraw/zinc/32/95/11/843329511.db2.gz PETISUHHLSYMMG-XMMPIXPASA-N 2 2 378.516 3.866 20 0 GHADLP COc1ccc(C(=O)CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512292402 843329513 /nfs/dbraw/zinc/32/95/13/843329513.db2.gz PETISUHHLSYMMG-XMMPIXPASA-N 2 2 378.516 3.866 20 0 GHADLP COc1ccc(C(=O)CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512292402 843329518 /nfs/dbraw/zinc/32/95/18/843329518.db2.gz PETISUHHLSYMMG-XMMPIXPASA-N 2 2 378.516 3.866 20 0 GHADLP COc1ccc(C(=O)CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512292402 843329525 /nfs/dbraw/zinc/32/95/25/843329525.db2.gz PETISUHHLSYMMG-XMMPIXPASA-N 2 2 378.516 3.866 20 0 GHADLP CN(C(=O)Nc1cc(Cl)ccn1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000500442144 843358888 /nfs/dbraw/zinc/35/88/88/843358888.db2.gz PMIALRZSMGGJOO-ZWKOTPCHSA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1cc(Cl)ccn1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000500442144 843358898 /nfs/dbraw/zinc/35/88/98/843358898.db2.gz PMIALRZSMGGJOO-ZWKOTPCHSA-N 2 2 393.963 3.536 20 0 GHADLP FC(F)(F)c1ccn(-c2ccc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cc2)n1 ZINC000512389566 843623072 /nfs/dbraw/zinc/62/30/72/843623072.db2.gz NXQQPZBTGXNUKZ-UHFFFAOYSA-N 2 2 375.398 3.994 20 0 GHADLP Fc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)ccc1Br ZINC000512455248 843856937 /nfs/dbraw/zinc/85/69/37/843856937.db2.gz BRBBVEBZQWCBKL-UHFFFAOYSA-N 2 2 385.321 3.523 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2C)CC1 ZINC000051425674 843875208 /nfs/dbraw/zinc/87/52/08/843875208.db2.gz HCVYRTFYOLXAEV-GOSISDBHSA-N 2 2 397.588 3.756 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCc3sccc3[C@H]2C)CC1 ZINC000051425674 843875222 /nfs/dbraw/zinc/87/52/22/843875222.db2.gz HCVYRTFYOLXAEV-GOSISDBHSA-N 2 2 397.588 3.756 20 0 GHADLP CCc1ccc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)o2)cc1 ZINC000512904654 843956412 /nfs/dbraw/zinc/95/64/12/843956412.db2.gz ZKQLYUDKMINSRE-SEJPIABJSA-N 2 2 395.547 3.682 20 0 GHADLP CCc1ccc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)o2)cc1 ZINC000512904654 843956419 /nfs/dbraw/zinc/95/64/19/843956419.db2.gz ZKQLYUDKMINSRE-SEJPIABJSA-N 2 2 395.547 3.682 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4([NH+]5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512616568 844752568 /nfs/dbraw/zinc/75/25/68/844752568.db2.gz BRKSANZUUJQBIF-VXNXHJTFSA-N 3 2 397.607 3.522 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4([NH+]5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512616568 844752578 /nfs/dbraw/zinc/75/25/78/844752578.db2.gz BRKSANZUUJQBIF-VXNXHJTFSA-N 3 2 397.607 3.522 20 0 GHADLP CN(C(=O)NC1CCCCCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535865783 844866498 /nfs/dbraw/zinc/86/64/98/844866498.db2.gz LXVDABIWWMBCEP-SFTDATJTSA-N 2 2 378.605 3.688 20 0 GHADLP CN(C(=O)NC1CCCCCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535865783 844866505 /nfs/dbraw/zinc/86/65/05/844866505.db2.gz LXVDABIWWMBCEP-SFTDATJTSA-N 2 2 378.605 3.688 20 0 GHADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)ccc1F ZINC000512657971 844927953 /nfs/dbraw/zinc/92/79/53/844927953.db2.gz LXFDUFCEPACULO-OAQYLSRUSA-N 2 2 382.527 3.563 20 0 GHADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)ccc1F ZINC000512657971 844927956 /nfs/dbraw/zinc/92/79/56/844927956.db2.gz LXFDUFCEPACULO-OAQYLSRUSA-N 2 2 382.527 3.563 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000535908166 845215064 /nfs/dbraw/zinc/21/50/64/845215064.db2.gz CJSRRUHAPLLTOG-GOSISDBHSA-N 2 2 381.520 3.888 20 0 GHADLP Cc1cc(F)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000622843895 845371235 /nfs/dbraw/zinc/37/12/35/845371235.db2.gz MMTPOHYWKZBXHD-PMACEKPBSA-N 2 2 393.522 3.682 20 0 GHADLP Cc1cc(F)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000622843895 845371241 /nfs/dbraw/zinc/37/12/41/845371241.db2.gz MMTPOHYWKZBXHD-PMACEKPBSA-N 2 2 393.522 3.682 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@H+](Cc3ccccc3F)C3CCCCC3)cn2)CC1 ZINC000513484220 845501334 /nfs/dbraw/zinc/50/13/34/845501334.db2.gz IUBBGFQOJQWGDG-UHFFFAOYSA-N 2 2 397.542 3.702 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@@H+](Cc3ccccc3F)C3CCCCC3)cn2)CC1 ZINC000513484220 845501337 /nfs/dbraw/zinc/50/13/37/845501337.db2.gz IUBBGFQOJQWGDG-UHFFFAOYSA-N 2 2 397.542 3.702 20 0 GHADLP CCn1nc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c2ccccc21 ZINC000472051215 845594317 /nfs/dbraw/zinc/59/43/17/845594317.db2.gz FGNQFSQIXVRWBH-KRWDZBQOSA-N 2 2 395.526 3.798 20 0 GHADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430027388 845604811 /nfs/dbraw/zinc/60/48/11/845604811.db2.gz ADYLONSOZRJLRX-VQTJNVASSA-N 2 2 378.944 3.596 20 0 GHADLP Cc1ccc2[nH]c(C[NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)cc2c1C ZINC000472068135 845683129 /nfs/dbraw/zinc/68/31/29/845683129.db2.gz MPPPPHSYSNODNJ-UHFFFAOYSA-N 2 2 393.531 3.786 20 0 GHADLP FC(F)(F)c1ccc(Cn2cc(C[NH2+]CCCCn3cc[nH+]c3)cn2)cc1 ZINC000548637872 845997127 /nfs/dbraw/zinc/99/71/27/845997127.db2.gz GZCRUKFPAFOSLW-UHFFFAOYSA-N 2 2 377.414 3.717 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000124649658 846004041 /nfs/dbraw/zinc/00/40/41/846004041.db2.gz AGGZBYDLWNORJQ-WOJBJXKFSA-N 2 2 377.598 3.774 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000124649658 846004049 /nfs/dbraw/zinc/00/40/49/846004049.db2.gz AGGZBYDLWNORJQ-WOJBJXKFSA-N 2 2 377.598 3.774 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000582092549 846291691 /nfs/dbraw/zinc/29/16/91/846291691.db2.gz WIXVWVFSLPVTBH-QHCPKHFHSA-N 2 2 389.503 3.854 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000582092549 846291701 /nfs/dbraw/zinc/29/17/01/846291701.db2.gz WIXVWVFSLPVTBH-QHCPKHFHSA-N 2 2 389.503 3.854 20 0 GHADLP C[N@H+](CCOc1ccc(F)cc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000179616008 861663471 /nfs/dbraw/zinc/66/34/71/861663471.db2.gz FIIDVJIZVUERTH-UHFFFAOYSA-N 2 2 391.918 3.892 20 0 GHADLP C[N@@H+](CCOc1ccc(F)cc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000179616008 861663478 /nfs/dbraw/zinc/66/34/78/861663478.db2.gz FIIDVJIZVUERTH-UHFFFAOYSA-N 2 2 391.918 3.892 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C2CC2)c(F)c1 ZINC000421830495 846607543 /nfs/dbraw/zinc/60/75/43/846607543.db2.gz KBRRXUKVEQCRNM-DHIUTWEWSA-N 2 2 384.495 3.512 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C2CC2)c(F)c1 ZINC000421830495 846607549 /nfs/dbraw/zinc/60/75/49/846607549.db2.gz KBRRXUKVEQCRNM-DHIUTWEWSA-N 2 2 384.495 3.512 20 0 GHADLP COc1cccc2c(NCc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)c(C)c[nH+]c12 ZINC000664237005 846739083 /nfs/dbraw/zinc/73/90/83/846739083.db2.gz PFYHYNUQPRDJSM-IBGZPJMESA-N 2 2 377.488 3.731 20 0 GHADLP COc1cccc2c(NCc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)c(C)c[nH+]c12 ZINC000664237005 846739087 /nfs/dbraw/zinc/73/90/87/846739087.db2.gz PFYHYNUQPRDJSM-IBGZPJMESA-N 2 2 377.488 3.731 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(C)c(C)c3Cl)CC2)CC1 ZINC000422029511 846760593 /nfs/dbraw/zinc/76/05/93/846760593.db2.gz ZUOVRQPTKSTPNW-UHFFFAOYSA-N 2 2 377.960 3.589 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(C)c(C)c3Cl)CC2)CC1 ZINC000422029511 846760602 /nfs/dbraw/zinc/76/06/02/846760602.db2.gz ZUOVRQPTKSTPNW-UHFFFAOYSA-N 2 2 377.960 3.589 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)c3ccc(Cl)s3)CC2)CC1 ZINC000422016167 846768759 /nfs/dbraw/zinc/76/87/59/846768759.db2.gz HUGYUYDZLMQYRF-HNNXBMFYSA-N 2 2 383.989 3.524 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)c3ccc(Cl)s3)CC2)CC1 ZINC000422016167 846768765 /nfs/dbraw/zinc/76/87/65/846768765.db2.gz HUGYUYDZLMQYRF-HNNXBMFYSA-N 2 2 383.989 3.524 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)CC1 ZINC000422020023 846772858 /nfs/dbraw/zinc/77/28/58/846772858.db2.gz LYZVZCXLHWFQGF-NJDAHSKKSA-N 2 2 375.601 3.612 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)CC1 ZINC000422020023 846772862 /nfs/dbraw/zinc/77/28/62/846772862.db2.gz LYZVZCXLHWFQGF-NJDAHSKKSA-N 2 2 375.601 3.612 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000582301972 846812411 /nfs/dbraw/zinc/81/24/11/846812411.db2.gz LQXSEOIYJQTCTR-JUXOCIIHSA-N 2 2 381.520 3.743 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000582301972 846812417 /nfs/dbraw/zinc/81/24/17/846812417.db2.gz LQXSEOIYJQTCTR-JUXOCIIHSA-N 2 2 381.520 3.743 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000422129985 846831045 /nfs/dbraw/zinc/83/10/45/846831045.db2.gz AHOKYJCFAAZTSD-JOCHJYFZSA-N 2 2 386.584 3.585 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000422129985 846831047 /nfs/dbraw/zinc/83/10/47/846831047.db2.gz AHOKYJCFAAZTSD-JOCHJYFZSA-N 2 2 386.584 3.585 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)c3cc(C)sc3C)CC2)CC1 ZINC000422143273 846847937 /nfs/dbraw/zinc/84/79/37/846847937.db2.gz GMVOQZCURNNVFO-QGZVFWFLSA-N 2 2 392.613 3.628 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](C)c3cc(C)sc3C)CC2)CC1 ZINC000422143273 846847946 /nfs/dbraw/zinc/84/79/46/846847946.db2.gz GMVOQZCURNNVFO-QGZVFWFLSA-N 2 2 392.613 3.628 20 0 GHADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000511116210 847134440 /nfs/dbraw/zinc/13/44/40/847134440.db2.gz QLCKDPBSLHCBEK-UHFFFAOYSA-N 2 2 385.577 3.938 20 0 GHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000511116210 847134449 /nfs/dbraw/zinc/13/44/49/847134449.db2.gz QLCKDPBSLHCBEK-UHFFFAOYSA-N 2 2 385.577 3.938 20 0 GHADLP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc2n1CCCCC2 ZINC000272677591 847142685 /nfs/dbraw/zinc/14/26/85/847142685.db2.gz RJAMNYOWSNJZST-GIVPXCGWSA-N 2 2 381.568 3.956 20 0 GHADLP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc2n1CCCCC2 ZINC000272677591 847142690 /nfs/dbraw/zinc/14/26/90/847142690.db2.gz RJAMNYOWSNJZST-GIVPXCGWSA-N 2 2 381.568 3.956 20 0 GHADLP Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420942025 847545496 /nfs/dbraw/zinc/54/54/96/847545496.db2.gz ULCGDLCTMCALDN-HSZRJFAPSA-N 2 2 390.531 3.743 20 0 GHADLP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420942025 847545502 /nfs/dbraw/zinc/54/55/02/847545502.db2.gz ULCGDLCTMCALDN-HSZRJFAPSA-N 2 2 390.531 3.743 20 0 GHADLP O=C(C[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000420937501 847556625 /nfs/dbraw/zinc/55/66/25/847556625.db2.gz NUPXMSGMGKEZHS-FQEVSTJZSA-N 2 2 384.545 3.818 20 0 GHADLP O=C(C[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000420937501 847556637 /nfs/dbraw/zinc/55/66/37/847556637.db2.gz NUPXMSGMGKEZHS-FQEVSTJZSA-N 2 2 384.545 3.818 20 0 GHADLP COc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420963764 847583861 /nfs/dbraw/zinc/58/38/61/847583861.db2.gz MQNFHNGEJRNARO-QFIPXVFZSA-N 2 2 396.531 3.571 20 0 GHADLP COc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420963764 847583864 /nfs/dbraw/zinc/58/38/64/847583864.db2.gz MQNFHNGEJRNARO-QFIPXVFZSA-N 2 2 396.531 3.571 20 0 GHADLP c1ccc2[nH]c(C3CC[NH+](Cc4cccc(C[NH+]5CCOCC5)c4)CC3)nc2c1 ZINC000420943071 847586871 /nfs/dbraw/zinc/58/68/71/847586871.db2.gz WHVDIPUYFNDECS-UHFFFAOYSA-N 2 2 390.531 3.775 20 0 GHADLP OCC1([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc2)CCC1 ZINC000420973815 847601300 /nfs/dbraw/zinc/60/13/00/847601300.db2.gz NPRDCYFIWZUUHC-HSZRJFAPSA-N 2 2 380.532 3.512 20 0 GHADLP CCOc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503380780 847654606 /nfs/dbraw/zinc/65/46/06/847654606.db2.gz YLKHLCZSBXZRIR-SFHVURJKSA-N 2 2 396.535 3.826 20 0 GHADLP CCOc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503380780 847654612 /nfs/dbraw/zinc/65/46/12/847654612.db2.gz YLKHLCZSBXZRIR-SFHVURJKSA-N 2 2 396.535 3.826 20 0 GHADLP CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000503411813 847677764 /nfs/dbraw/zinc/67/77/64/847677764.db2.gz QQKIFYBKOCTECB-RTBURBONSA-N 2 2 380.536 3.840 20 0 GHADLP CCN(C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000503411813 847677767 /nfs/dbraw/zinc/67/77/67/847677767.db2.gz QQKIFYBKOCTECB-RTBURBONSA-N 2 2 380.536 3.840 20 0 GHADLP O=C1[C@H]([N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCN1c1cccc(Cl)c1 ZINC000503436046 847693686 /nfs/dbraw/zinc/69/36/86/847693686.db2.gz BURJNCDDLCIADX-OXQOHEQNSA-N 2 2 398.938 3.858 20 0 GHADLP O=C1[C@H]([N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCN1c1cccc(Cl)c1 ZINC000503436046 847693688 /nfs/dbraw/zinc/69/36/88/847693688.db2.gz BURJNCDDLCIADX-OXQOHEQNSA-N 2 2 398.938 3.858 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc(F)c3Cl)CC2)CC1 ZINC000421110342 847727069 /nfs/dbraw/zinc/72/70/69/847727069.db2.gz OEXSHLRPRUBQGE-UHFFFAOYSA-N 2 2 382.911 3.503 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc(F)c3Cl)CC2)CC1 ZINC000421110342 847727077 /nfs/dbraw/zinc/72/70/77/847727077.db2.gz OEXSHLRPRUBQGE-UHFFFAOYSA-N 2 2 382.911 3.503 20 0 GHADLP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422697884 847772287 /nfs/dbraw/zinc/77/22/87/847772287.db2.gz WPAWDIRBCCCHLG-NHCUHLMSSA-N 3 2 383.536 3.650 20 0 GHADLP O=C([C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1)N1CCCCC1 ZINC000481609989 861832020 /nfs/dbraw/zinc/83/20/20/861832020.db2.gz IDOYTWGCYGLZMH-VWNXMTODSA-N 2 2 391.559 3.852 20 0 GHADLP O=C([C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1)N1CCCCC1 ZINC000481609989 861832031 /nfs/dbraw/zinc/83/20/31/861832031.db2.gz IDOYTWGCYGLZMH-VWNXMTODSA-N 2 2 391.559 3.852 20 0 GHADLP COc1ccc([C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422824050 847840390 /nfs/dbraw/zinc/84/03/90/847840390.db2.gz MSUJIUVGHHTIBQ-GOTSBHOMSA-N 2 2 376.504 3.506 20 0 GHADLP COc1ccc([C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422824051 847841105 /nfs/dbraw/zinc/84/11/05/847841105.db2.gz MSUJIUVGHHTIBQ-PKTZIBPZSA-N 2 2 376.504 3.506 20 0 GHADLP COc1ccc([C@@H](NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422823520 847842029 /nfs/dbraw/zinc/84/20/29/847842029.db2.gz DNJIJHIPNNEEDX-XZOQPEGZSA-N 2 2 376.504 3.523 20 0 GHADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000422884637 847869376 /nfs/dbraw/zinc/86/93/76/847869376.db2.gz SHMFQHMHEDBEQM-XMSQKQJNSA-N 2 2 381.520 3.572 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423061848 847958076 /nfs/dbraw/zinc/95/80/76/847958076.db2.gz ROFOBRGCXVSKES-BVBHFADKSA-N 2 2 386.458 3.562 20 0 GHADLP CC1(C)C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000657535508 848112711 /nfs/dbraw/zinc/11/27/11/848112711.db2.gz NTMNWRWFGCRAAN-QFIPXVFZSA-N 3 2 385.596 3.520 20 0 GHADLP CC1(C)C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000657535508 848112718 /nfs/dbraw/zinc/11/27/18/848112718.db2.gz NTMNWRWFGCRAAN-QFIPXVFZSA-N 3 2 385.596 3.520 20 0 GHADLP COc1cc2cccnc2c(N(c2ccn3cc(N)[nH+]c3c2)[C@@H](C)CCC[NH3+])c1 ZINC001167614797 848358993 /nfs/dbraw/zinc/35/89/93/848358993.db2.gz ISUFSAJZRKBIPU-HNNXBMFYSA-N 2 2 390.491 3.739 20 0 GHADLP COc1ccc([C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C2CC2)cc1 ZINC000180053684 861926433 /nfs/dbraw/zinc/92/64/33/861926433.db2.gz PCSAXFGPGJJPDP-DEOSSOPVSA-N 2 2 396.531 3.647 20 0 GHADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccncc3OCCC[NH+](C)C)CC2)C1 ZINC000582927925 848713075 /nfs/dbraw/zinc/71/30/75/848713075.db2.gz CKKWEWRBXWZNPI-UGKGYDQZSA-N 3 2 388.600 3.545 20 0 GHADLP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)s1 ZINC000162007026 848787032 /nfs/dbraw/zinc/78/70/32/848787032.db2.gz HTNBAQILROTKOY-MRXNPFEDSA-N 2 2 389.565 3.576 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000153630492 848802622 /nfs/dbraw/zinc/80/26/22/848802622.db2.gz UZWVUZPZFBDFOK-REWPJTCUSA-N 2 2 379.548 3.630 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000153630492 848802632 /nfs/dbraw/zinc/80/26/32/848802632.db2.gz UZWVUZPZFBDFOK-REWPJTCUSA-N 2 2 379.548 3.630 20 0 GHADLP COc1cc(F)cc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000180178732 861997328 /nfs/dbraw/zinc/99/73/28/861997328.db2.gz VKKFZWRVZUVYEN-UHFFFAOYSA-N 2 2 377.891 3.529 20 0 GHADLP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)Cc1cccc2[nH+]ccn21 ZINC000583349192 849681829 /nfs/dbraw/zinc/68/18/29/849681829.db2.gz YBOKDJKFLWBLOS-UHFFFAOYSA-N 2 2 376.426 3.917 20 0 GHADLP C[C@@H](NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423104748 849754729 /nfs/dbraw/zinc/75/47/29/849754729.db2.gz MPCZHKHUZPCVAT-XOKHGSTOSA-N 2 2 377.882 3.995 20 0 GHADLP C[C@@H](NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423104748 849754733 /nfs/dbraw/zinc/75/47/33/849754733.db2.gz MPCZHKHUZPCVAT-XOKHGSTOSA-N 2 2 377.882 3.995 20 0 GHADLP Brc1cccc2c1OCCC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423185659 849776669 /nfs/dbraw/zinc/77/66/69/849776669.db2.gz JXLMUKWCGLDLTJ-SFHVURJKSA-N 2 2 390.325 3.827 20 0 GHADLP CCN1CC[NH+]([C@@H](C)CNc2cc[nH+]c3cc(OC(F)(F)F)ccc23)CC1 ZINC000899874464 862060011 /nfs/dbraw/zinc/06/00/11/862060011.db2.gz VWYNIBGIJMRYQS-AWEZNQCLSA-N 2 2 382.430 3.571 20 0 GHADLP CC(C)[C@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000278253254 849876266 /nfs/dbraw/zinc/87/62/66/849876266.db2.gz PKVJJYGKNCFHDT-OAQYLSRUSA-N 2 2 384.568 3.514 20 0 GHADLP FC(F)(F)c1cccc(N2CC[NH+](CCC[NH2+]C[C@@H]3CCSC3)CC2)c1 ZINC000486926286 850250145 /nfs/dbraw/zinc/25/01/45/850250145.db2.gz IIWHJOGDLBEIDB-INIZCTEOSA-N 2 2 387.515 3.560 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)c1ccco1 ZINC000518891188 850287719 /nfs/dbraw/zinc/28/77/19/850287719.db2.gz OOGSXHACKRNQIH-IEBWSBKVSA-N 2 2 377.916 3.735 20 0 GHADLP COc1cc(C[C@H](C)[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)ccn1 ZINC000638640237 850326307 /nfs/dbraw/zinc/32/63/07/850326307.db2.gz QJEULOKTVKFUJC-RBUKOAKNSA-N 2 2 383.536 3.511 20 0 GHADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000435382401 850447493 /nfs/dbraw/zinc/44/74/93/850447493.db2.gz ZRRHOAIHAODBFV-GJZGRUSLSA-N 2 2 390.325 3.592 20 0 GHADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000435382401 850447500 /nfs/dbraw/zinc/44/75/00/850447500.db2.gz ZRRHOAIHAODBFV-GJZGRUSLSA-N 2 2 390.325 3.592 20 0 GHADLP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000424435717 850468511 /nfs/dbraw/zinc/46/85/11/850468511.db2.gz LTKOOIPYGNOKKE-NHCUHLMSSA-N 2 2 375.476 3.701 20 0 GHADLP C[NH+](C)[C@H]1CCOc2c(NC(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)cccc21 ZINC000514933232 850502781 /nfs/dbraw/zinc/50/27/81/850502781.db2.gz SJZUBQFADZEADI-QUCCMNQESA-N 2 2 390.487 3.956 20 0 GHADLP CC[N@H+](Cc1nc(-c2cc(Br)cs2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435630648 850725946 /nfs/dbraw/zinc/72/59/46/850725946.db2.gz YCMRJEJYKPNVKO-GFCCVEGCSA-N 2 2 385.331 3.525 20 0 GHADLP CC[N@@H+](Cc1nc(-c2cc(Br)cs2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435630648 850725950 /nfs/dbraw/zinc/72/59/50/850725950.db2.gz YCMRJEJYKPNVKO-GFCCVEGCSA-N 2 2 385.331 3.525 20 0 GHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000513835975 850929734 /nfs/dbraw/zinc/92/97/34/850929734.db2.gz XYPFUAGGRARKGF-UHFFFAOYSA-N 2 2 388.515 3.847 20 0 GHADLP c1nc(-c2ccncc2)sc1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000440348753 851070010 /nfs/dbraw/zinc/07/00/10/851070010.db2.gz XVRVLFJZPGRYDP-UHFFFAOYSA-N 2 2 393.560 3.507 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)[NH+](C)C)cc1 ZINC000514197328 851365790 /nfs/dbraw/zinc/36/57/90/851365790.db2.gz MBOLSCNKCIYMFR-JOCHJYFZSA-N 2 2 391.519 3.537 20 0 GHADLP O[C@H](COc1ccc(Oc2ccccc2)cc1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243535 851580263 /nfs/dbraw/zinc/58/02/63/851580263.db2.gz VBJRNUPKWCSHOC-FQEVSTJZSA-N 2 2 393.487 3.752 20 0 GHADLP O=C(NCCCCC[NH+]1CCCCC1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000111458798 851658539 /nfs/dbraw/zinc/65/85/39/851658539.db2.gz YTBOKMAXMMSPBY-UHFFFAOYSA-N 2 2 387.572 3.527 20 0 GHADLP CC[C@H](C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[N@H+](C)Cc1ccccc1 ZINC000550161674 851768803 /nfs/dbraw/zinc/76/88/03/851768803.db2.gz SDOQTQUXJXBITM-PGRDOPGGSA-N 2 2 376.504 3.960 20 0 GHADLP CC[C@H](C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[N@@H+](C)Cc1ccccc1 ZINC000550161674 851768804 /nfs/dbraw/zinc/76/88/04/851768804.db2.gz SDOQTQUXJXBITM-PGRDOPGGSA-N 2 2 376.504 3.960 20 0 GHADLP CC(C)c1ncc(C[NH+](C)C/C=C/C[N@@H+](C)Cc2cnc(C(C)C)nc2)cn1 ZINC000440463284 851876990 /nfs/dbraw/zinc/87/69/90/851876990.db2.gz PBHAAKDXDCIMIU-BQYQJAHWSA-N 2 2 382.556 3.633 20 0 GHADLP CC(C)c1ncc(C[NH+](C)C/C=C/C[N@H+](C)Cc2cnc(C(C)C)nc2)cn1 ZINC000440463284 851876996 /nfs/dbraw/zinc/87/69/96/851876996.db2.gz PBHAAKDXDCIMIU-BQYQJAHWSA-N 2 2 382.556 3.633 20 0 GHADLP CCCn1ncnc1C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838029 851886642 /nfs/dbraw/zinc/88/66/42/851886642.db2.gz QKPVCABJNKIDOI-JOCHJYFZSA-N 2 2 381.568 3.811 20 0 GHADLP CCCn1ncnc1C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838029 851886652 /nfs/dbraw/zinc/88/66/52/851886652.db2.gz QKPVCABJNKIDOI-JOCHJYFZSA-N 2 2 381.568 3.811 20 0 GHADLP CC[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccc(C(=O)OC)cc2)CC1 ZINC000438070664 851985909 /nfs/dbraw/zinc/98/59/09/851985909.db2.gz HYWBBWDEOOCKNL-UHFFFAOYSA-N 2 2 382.504 3.626 20 0 GHADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000438130823 852054004 /nfs/dbraw/zinc/05/40/04/852054004.db2.gz VTIQJLHREODYIZ-UHFFFAOYSA-N 2 2 396.510 3.570 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)CC2)cc1 ZINC000550238887 852079566 /nfs/dbraw/zinc/07/95/66/852079566.db2.gz OIELHUNCANDGNR-RUZDIDTESA-N 2 2 397.607 3.584 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)CC2)cc1 ZINC000550238887 852079570 /nfs/dbraw/zinc/07/95/70/852079570.db2.gz OIELHUNCANDGNR-RUZDIDTESA-N 2 2 397.607 3.584 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)CC2)cc1 ZINC000550238887 852079578 /nfs/dbraw/zinc/07/95/78/852079578.db2.gz OIELHUNCANDGNR-RUZDIDTESA-N 2 2 397.607 3.584 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)CC2)cc1 ZINC000550238887 852079588 /nfs/dbraw/zinc/07/95/88/852079588.db2.gz OIELHUNCANDGNR-RUZDIDTESA-N 2 2 397.607 3.584 20 0 GHADLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000489399448 852302852 /nfs/dbraw/zinc/30/28/52/852302852.db2.gz YFJNGQZCKUNJQF-REWPJTCUSA-N 2 2 395.522 3.775 20 0 GHADLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000489399448 852302861 /nfs/dbraw/zinc/30/28/61/852302861.db2.gz YFJNGQZCKUNJQF-REWPJTCUSA-N 2 2 395.522 3.775 20 0 GHADLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000489399448 852302868 /nfs/dbraw/zinc/30/28/68/852302868.db2.gz YFJNGQZCKUNJQF-REWPJTCUSA-N 2 2 395.522 3.775 20 0 GHADLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000489399448 852302879 /nfs/dbraw/zinc/30/28/79/852302879.db2.gz YFJNGQZCKUNJQF-REWPJTCUSA-N 2 2 395.522 3.775 20 0 GHADLP CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cccs1 ZINC000506889954 852313844 /nfs/dbraw/zinc/31/38/44/852313844.db2.gz PCLQUNIJAXTPQP-UHFFFAOYSA-N 2 2 389.590 3.758 20 0 GHADLP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cccs1 ZINC000506889954 852313850 /nfs/dbraw/zinc/31/38/50/852313850.db2.gz PCLQUNIJAXTPQP-UHFFFAOYSA-N 2 2 389.590 3.758 20 0 GHADLP CN(C(=O)CCc1ccc(C(C)(C)C)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559048 862357746 /nfs/dbraw/zinc/35/77/46/862357746.db2.gz GQRRXDRLAZCPCC-JOCHJYFZSA-N 2 2 385.596 3.544 20 0 GHADLP CN(C(=O)CCc1ccc(C(C)(C)C)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559048 862357765 /nfs/dbraw/zinc/35/77/65/862357765.db2.gz GQRRXDRLAZCPCC-JOCHJYFZSA-N 2 2 385.596 3.544 20 0 GHADLP Cc1ccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(F)c1 ZINC000489674446 852524826 /nfs/dbraw/zinc/52/48/26/852524826.db2.gz DJXZXWNEJBZAIE-UHFFFAOYSA-N 2 2 383.511 3.917 20 0 GHADLP Cc1ccc(NC(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(F)c1 ZINC000489674446 852524829 /nfs/dbraw/zinc/52/48/29/852524829.db2.gz DJXZXWNEJBZAIE-UHFFFAOYSA-N 2 2 383.511 3.917 20 0 GHADLP O=C(NCCC[NH+]1CCCCC1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425678085 852599146 /nfs/dbraw/zinc/59/91/46/852599146.db2.gz VZWOSQHELYITJC-UHFFFAOYSA-N 2 2 381.524 3.884 20 0 GHADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CCn4cc[nH+]c4C3)c2c1C ZINC000489901218 852634390 /nfs/dbraw/zinc/63/43/90/852634390.db2.gz WIYZYYPRXZCWGO-HNNXBMFYSA-N 2 2 382.537 3.527 20 0 GHADLP CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000516561605 852726267 /nfs/dbraw/zinc/72/62/67/852726267.db2.gz FWTAFHXDKGEUOE-CTNGQTDRSA-N 2 2 378.605 3.547 20 0 GHADLP CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000516561605 852726273 /nfs/dbraw/zinc/72/62/73/852726273.db2.gz FWTAFHXDKGEUOE-CTNGQTDRSA-N 2 2 378.605 3.547 20 0 GHADLP O=C(C[C@H]1CCC[NH2+]CC1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000427330192 852987901 /nfs/dbraw/zinc/98/79/01/852987901.db2.gz MMWAVIJIIWFNMO-MAUKXSAKSA-N 2 2 381.923 3.512 20 0 GHADLP COc1ccccc1-c1ncc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000490573859 853100055 /nfs/dbraw/zinc/10/00/55/853100055.db2.gz XXTONMQMEVKVHG-UHFFFAOYSA-N 2 2 385.471 3.687 20 0 GHADLP C[NH+](C)C1(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CCCCC1 ZINC000426237581 853104114 /nfs/dbraw/zinc/10/41/14/853104114.db2.gz LGUJRYJVIXEHPQ-SFTDATJTSA-N 2 2 395.551 3.675 20 0 GHADLP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506051143 853162707 /nfs/dbraw/zinc/16/27/07/853162707.db2.gz HYNRZYIOVUQTJB-MRXNPFEDSA-N 2 2 390.553 3.684 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439018733 853207748 /nfs/dbraw/zinc/20/77/48/853207748.db2.gz CBMKDAHVONOFFD-QGZVFWFLSA-N 2 2 381.524 3.882 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439018733 853207761 /nfs/dbraw/zinc/20/77/61/853207761.db2.gz CBMKDAHVONOFFD-QGZVFWFLSA-N 2 2 381.524 3.882 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NC3(c4ccc(C(F)(F)F)cc4)COC3)c2)C1 ZINC001168377474 853628222 /nfs/dbraw/zinc/62/82/22/853628222.db2.gz HGWQCWOIMYJOSY-GOSISDBHSA-N 2 2 391.437 3.576 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NC3(c4ccc(C(F)(F)F)cc4)COC3)c2)C1 ZINC001168377474 853628232 /nfs/dbraw/zinc/62/82/32/853628232.db2.gz HGWQCWOIMYJOSY-GOSISDBHSA-N 2 2 391.437 3.576 20 0 GHADLP Cc1nc([C@H]2C[C@@H]3CC[N@@H+](C4CC[NH+](CC5CC5)CC4)C[C@H]3O2)sc1C ZINC001168377843 853678169 /nfs/dbraw/zinc/67/81/69/853678169.db2.gz LMWVLMDMGDADRP-DFQSSKMNSA-N 2 2 375.582 3.786 20 0 GHADLP Cc1nc([C@H]2C[C@@H]3CC[N@H+](C4CC[NH+](CC5CC5)CC4)C[C@H]3O2)sc1C ZINC001168377843 853678172 /nfs/dbraw/zinc/67/81/72/853678172.db2.gz LMWVLMDMGDADRP-DFQSSKMNSA-N 2 2 375.582 3.786 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)NC1CC([NH+]2CCCCC2)C1 ZINC000571311422 853837584 /nfs/dbraw/zinc/83/75/84/853837584.db2.gz FYTCOIPWJIHWLF-UHFFFAOYSA-N 2 2 391.519 3.740 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NC2CCC(C)CC2)c(C)c1 ZINC000441375926 854160481 /nfs/dbraw/zinc/16/04/81/854160481.db2.gz CFMXEXZNZASMOK-LGTANONZSA-N 2 2 382.552 3.914 20 0 GHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000112626290 854277627 /nfs/dbraw/zinc/27/76/27/854277627.db2.gz MFWHWAMTTGMDLK-SFTDATJTSA-N 2 2 394.563 3.864 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4c(s3)CCCCCC4)CC2)CC1 ZINC000050801085 854359532 /nfs/dbraw/zinc/35/95/32/854359532.db2.gz DPNWLNYDJWOBDI-UHFFFAOYSA-N 2 2 389.609 3.696 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000112921585 854361626 /nfs/dbraw/zinc/36/16/26/854361626.db2.gz ZEZXLWIEFKCRKM-UHFFFAOYSA-N 2 2 397.588 3.612 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000112921585 854361630 /nfs/dbraw/zinc/36/16/30/854361630.db2.gz ZEZXLWIEFKCRKM-UHFFFAOYSA-N 2 2 397.588 3.612 20 0 GHADLP c1ccc(C[NH+]2CC[C@@]3(CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C3)C2)cc1 ZINC001167995036 854430026 /nfs/dbraw/zinc/43/00/26/854430026.db2.gz UXSOCTCMWDYDPD-DVMHTGGUSA-N 3 2 379.592 3.990 20 0 GHADLP c1ccc(C[NH+]2CC[C@@]3(CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C3)C2)cc1 ZINC001167995036 854430028 /nfs/dbraw/zinc/43/00/28/854430028.db2.gz UXSOCTCMWDYDPD-DVMHTGGUSA-N 3 2 379.592 3.990 20 0 GHADLP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C3)C2)cc1 ZINC001167995036 854430029 /nfs/dbraw/zinc/43/00/29/854430029.db2.gz UXSOCTCMWDYDPD-DVMHTGGUSA-N 3 2 379.592 3.990 20 0 GHADLP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C3)C2)cc1 ZINC001167995036 854430030 /nfs/dbraw/zinc/43/00/30/854430030.db2.gz UXSOCTCMWDYDPD-DVMHTGGUSA-N 3 2 379.592 3.990 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(Cl)sc1Cl ZINC000482008670 862603988 /nfs/dbraw/zinc/60/39/88/862603988.db2.gz MPODBYQRZVZYSO-YPMHNXCESA-N 2 2 378.369 3.648 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(Cl)sc1Cl ZINC000482008670 862603996 /nfs/dbraw/zinc/60/39/96/862603996.db2.gz MPODBYQRZVZYSO-YPMHNXCESA-N 2 2 378.369 3.648 20 0 GHADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482013005 862607926 /nfs/dbraw/zinc/60/79/26/862607926.db2.gz FCNZYTNQICCKKY-NHCUHLMSSA-N 2 2 399.604 3.873 20 0 GHADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482013005 862607930 /nfs/dbraw/zinc/60/79/30/862607930.db2.gz FCNZYTNQICCKKY-NHCUHLMSSA-N 2 2 399.604 3.873 20 0 GHADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)s2)cc1 ZINC000765791452 854820485 /nfs/dbraw/zinc/82/04/85/854820485.db2.gz JFBLTUKADLMXHR-YJLNNSPDSA-N 2 2 387.549 3.641 20 0 GHADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)s2)cc1 ZINC000765791452 854820491 /nfs/dbraw/zinc/82/04/91/854820491.db2.gz JFBLTUKADLMXHR-YJLNNSPDSA-N 2 2 387.549 3.641 20 0 GHADLP CC[C@H]1CCCC[C@H]1N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466593841 862617563 /nfs/dbraw/zinc/61/75/63/862617563.db2.gz URRXWHHWHMFQPW-VQTJNVASSA-N 2 2 378.605 3.547 20 0 GHADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000572709781 854943442 /nfs/dbraw/zinc/94/34/42/854943442.db2.gz REWOADQUNPTFAR-WSTZPKSXSA-N 2 2 390.535 3.736 20 0 GHADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2)c1 ZINC000572709781 854943449 /nfs/dbraw/zinc/94/34/49/854943449.db2.gz REWOADQUNPTFAR-WSTZPKSXSA-N 2 2 390.535 3.736 20 0 GHADLP C[C@@H](OC[C@@H](O)C[NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000572714557 854947416 /nfs/dbraw/zinc/94/74/16/854947416.db2.gz PLTGOIMKDZJWCJ-UZLBHIALSA-N 2 2 385.895 3.754 20 0 GHADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+]Cc3cnc4n3CCOC4)cc2)c[nH+]1 ZINC000921680679 855231089 /nfs/dbraw/zinc/23/10/89/855231089.db2.gz MXCIGUXXWAVAFJ-UHFFFAOYSA-N 2 2 399.498 3.615 20 0 GHADLP Cc1cn2cc(NC(=O)N3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)ccc2[nH+]1 ZINC000567879960 862702503 /nfs/dbraw/zinc/70/25/03/862702503.db2.gz STSHPTFLDVPVLZ-HSZRJFAPSA-N 2 2 389.503 3.773 20 0 GHADLP Cc1cn2cc(NC(=O)N3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc2[nH+]1 ZINC000567879960 862702513 /nfs/dbraw/zinc/70/25/13/862702513.db2.gz STSHPTFLDVPVLZ-HSZRJFAPSA-N 2 2 389.503 3.773 20 0 GHADLP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590864024 855635903 /nfs/dbraw/zinc/63/59/03/855635903.db2.gz JOKDUPPHJPEXSI-JOCHJYFZSA-N 2 2 395.551 3.806 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1cccc(N2CCCC2=O)c1 ZINC000482123001 862733589 /nfs/dbraw/zinc/73/35/89/862733589.db2.gz RVMMYBCDIAPJPY-FUHWJXTLSA-N 2 2 380.536 3.973 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000591456739 855997814 /nfs/dbraw/zinc/99/78/14/855997814.db2.gz STPDYSFBDQRJGW-RTBURBONSA-N 2 2 396.535 3.683 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000591456739 855997818 /nfs/dbraw/zinc/99/78/18/855997818.db2.gz STPDYSFBDQRJGW-RTBURBONSA-N 2 2 396.535 3.683 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591457680 855999211 /nfs/dbraw/zinc/99/92/11/855999211.db2.gz FWKUGNANBXCDHM-UXHICEINSA-N 2 2 396.535 3.614 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591457680 855999220 /nfs/dbraw/zinc/99/92/20/855999220.db2.gz FWKUGNANBXCDHM-UXHICEINSA-N 2 2 396.535 3.614 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ncc(-c2ccccc2Br)o1 ZINC000181085747 862745393 /nfs/dbraw/zinc/74/53/93/862745393.db2.gz QZKAMOCQFBCKJV-UHFFFAOYSA-N 2 2 375.270 3.823 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ncc(-c2ccccc2Br)o1 ZINC000181085747 862745400 /nfs/dbraw/zinc/74/54/00/862745400.db2.gz QZKAMOCQFBCKJV-UHFFFAOYSA-N 2 2 375.270 3.823 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000030562143 856114278 /nfs/dbraw/zinc/11/42/78/856114278.db2.gz BMPXOMDJHDJXMA-UHFFFAOYSA-N 2 2 390.531 3.746 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000760904477 856400965 /nfs/dbraw/zinc/40/09/65/856400965.db2.gz BTDFVOGWEUNPBE-ZOGZRVJRSA-N 2 2 379.548 3.712 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000760904477 856400972 /nfs/dbraw/zinc/40/09/72/856400972.db2.gz BTDFVOGWEUNPBE-ZOGZRVJRSA-N 2 2 379.548 3.712 20 0 GHADLP CCN(C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC000507898272 856647263 /nfs/dbraw/zinc/64/72/63/856647263.db2.gz XGQQZLSJYRBTGX-XMSQKQJNSA-N 2 2 376.504 3.972 20 0 GHADLP CCN(C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC000507898272 856647271 /nfs/dbraw/zinc/64/72/71/856647271.db2.gz XGQQZLSJYRBTGX-XMSQKQJNSA-N 2 2 376.504 3.972 20 0 GHADLP CC(C)c1ccc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000044850195 856679703 /nfs/dbraw/zinc/67/97/03/856679703.db2.gz IHMWJAWZPWUWPM-LJQANCHMSA-N 2 2 380.536 3.595 20 0 GHADLP C[C@@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000592395364 856803802 /nfs/dbraw/zinc/80/38/02/856803802.db2.gz WRNJPOKSNQIPTP-QGZVFWFLSA-N 2 2 385.508 3.661 20 0 GHADLP CCCCNc1cc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)nc(N)[nH+]1 ZINC000672216425 856862739 /nfs/dbraw/zinc/86/27/39/856862739.db2.gz IGQPOFWJOXBBLC-KRWDZBQOSA-N 2 2 398.555 3.583 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000665249985 856880749 /nfs/dbraw/zinc/88/07/49/856880749.db2.gz DEWUADOJWBTSGR-DENIHFKCSA-N 2 2 397.950 3.680 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H](C3CCCCC3)[NH+](C)C)cn2c1 ZINC000046949609 856952117 /nfs/dbraw/zinc/95/21/17/856952117.db2.gz UTIZLFDYGMBYGO-IBGZPJMESA-N 2 2 388.581 3.503 20 0 GHADLP CC(C)C[C@H](CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000675196541 857080283 /nfs/dbraw/zinc/08/02/83/857080283.db2.gz CCCJWDSFJRWXCE-CEMLEFRQSA-N 2 2 397.567 3.995 20 0 GHADLP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658293705 857255604 /nfs/dbraw/zinc/25/56/04/857255604.db2.gz IXMXORVOVPDZCF-WMZOPIPTSA-N 2 2 395.341 3.506 20 0 GHADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc2ccccc2c1 ZINC000675499901 857476423 /nfs/dbraw/zinc/47/64/23/857476423.db2.gz SIHYEEFJKGGZIM-MOPGFXCFSA-N 2 2 388.515 3.623 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000675890545 857650093 /nfs/dbraw/zinc/65/00/93/857650093.db2.gz ODFFKLFAMSDFMY-FPOVZHCZSA-N 2 2 389.503 3.853 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000675890545 857650097 /nfs/dbraw/zinc/65/00/97/857650097.db2.gz ODFFKLFAMSDFMY-FPOVZHCZSA-N 2 2 389.503 3.853 20 0 GHADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1cccc(-n2cnnn2)c1 ZINC000675894791 857651782 /nfs/dbraw/zinc/65/17/82/857651782.db2.gz OTTIUGIJMYJCOD-MOPGFXCFSA-N 2 2 390.535 3.977 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675920783 857665194 /nfs/dbraw/zinc/66/51/94/857665194.db2.gz KZQZUYFJGSYTST-JXFKEZNVSA-N 2 2 380.467 3.850 20 0 GHADLP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000675918225 857665235 /nfs/dbraw/zinc/66/52/35/857665235.db2.gz FJKJFVUIURMVGE-UWJYYQICSA-N 2 2 392.503 3.719 20 0 GHADLP CC(C)(CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[NH+]1CCCCC1 ZINC000131361449 857732412 /nfs/dbraw/zinc/73/24/12/857732412.db2.gz MTLXKSAPYHGVGO-RTWAWAEBSA-N 2 2 395.551 3.675 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cn3c(cccc3C)n2)CC1 ZINC000181636063 862950124 /nfs/dbraw/zinc/95/01/24/862950124.db2.gz MLLPTMDGOLGKRW-GOSISDBHSA-N 2 2 395.526 3.775 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1cccs1 ZINC000672968229 857954653 /nfs/dbraw/zinc/95/46/53/857954653.db2.gz ALUUMKNIFWPJIW-DLBZAZTESA-N 2 2 394.972 3.606 20 0 GHADLP CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060913 858133990 /nfs/dbraw/zinc/13/39/90/858133990.db2.gz CBXURDGPMQPXBK-OAQYLSRUSA-N 2 2 385.552 3.939 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1OCC(F)F ZINC000442871401 858188585 /nfs/dbraw/zinc/18/85/85/858188585.db2.gz WQFDUYBCNHGRRA-VQIMIIECSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1OCC(F)F ZINC000442871401 858188588 /nfs/dbraw/zinc/18/85/88/858188588.db2.gz WQFDUYBCNHGRRA-VQIMIIECSA-N 2 2 375.463 3.726 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CCC2 ZINC000594490616 858189308 /nfs/dbraw/zinc/18/93/08/858189308.db2.gz NWNFVLGWJBIOIL-JOCHJYFZSA-N 2 2 375.472 3.885 20 0 GHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@H]2C2CCCCC2)([NH+]2CCCCC2)CC1 ZINC000466137818 858439810 /nfs/dbraw/zinc/43/98/10/858439810.db2.gz BWWMMFOSUZWNJY-NRFANRHFSA-N 2 2 390.616 3.691 20 0 GHADLP Cc1ccc([C@H]2CCCN2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000466146348 858470025 /nfs/dbraw/zinc/47/00/25/858470025.db2.gz ODZGIPMQGBBENW-JOCHJYFZSA-N 2 2 398.595 3.792 20 0 GHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ncc(C(C)(C)C)s3)CC2)C[C@H](C)O1 ZINC000522036478 858553914 /nfs/dbraw/zinc/55/39/14/858553914.db2.gz VLPFYJJTYOFFOK-IRXDYDNUSA-N 2 2 395.613 3.531 20 0 GHADLP COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)s1 ZINC000595921754 858735068 /nfs/dbraw/zinc/73/50/68/858735068.db2.gz XGTOLFSDNQEEBF-QGZVFWFLSA-N 2 2 396.516 3.803 20 0 GHADLP COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)s1 ZINC000595921754 858735073 /nfs/dbraw/zinc/73/50/73/858735073.db2.gz XGTOLFSDNQEEBF-QGZVFWFLSA-N 2 2 396.516 3.803 20 0 GHADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3ccc(O[C@@H]4CCOC4)cc3)C2)n2c1CCCC2 ZINC000668104067 858769201 /nfs/dbraw/zinc/76/92/01/858769201.db2.gz ABCTYBKYXUIJFA-SIKLNZKXSA-N 2 2 381.520 3.767 20 0 GHADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3ccc(O[C@@H]4CCOC4)cc3)C2)n2c1CCCC2 ZINC000668104067 858769205 /nfs/dbraw/zinc/76/92/05/858769205.db2.gz ABCTYBKYXUIJFA-SIKLNZKXSA-N 2 2 381.520 3.767 20 0 GHADLP COc1ccc(C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC2CC2)c(OC)c1 ZINC000668108503 858795192 /nfs/dbraw/zinc/79/51/92/858795192.db2.gz CTDQHBDRYHAQJN-UHFFFAOYSA-N 2 2 378.476 3.697 20 0 GHADLP COc1ccc(C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC2CC2)c(OC)c1 ZINC000668108503 858795196 /nfs/dbraw/zinc/79/51/96/858795196.db2.gz CTDQHBDRYHAQJN-UHFFFAOYSA-N 2 2 378.476 3.697 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000532186924 881358084 /nfs/dbraw/zinc/35/80/84/881358084.db2.gz QDOUMMYCHZIEFU-OXQOHEQNSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000532186924 881358104 /nfs/dbraw/zinc/35/81/04/881358104.db2.gz QDOUMMYCHZIEFU-OXQOHEQNSA-N 2 2 375.463 3.726 20 0 GHADLP CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443606459 859054474 /nfs/dbraw/zinc/05/44/74/859054474.db2.gz XRWKYSBHEHVRHI-GOSISDBHSA-N 2 2 385.552 3.804 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000483121298 859148834 /nfs/dbraw/zinc/14/88/34/859148834.db2.gz ARQDJTBDGSYKQJ-RDPSFJRHSA-N 2 2 379.548 3.838 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000483121298 859148841 /nfs/dbraw/zinc/14/88/41/859148841.db2.gz ARQDJTBDGSYKQJ-RDPSFJRHSA-N 2 2 379.548 3.838 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1F ZINC000597063100 859259018 /nfs/dbraw/zinc/25/90/18/859259018.db2.gz FSPTXSVHVUEIRB-NRFANRHFSA-N 2 2 381.451 3.957 20 0 GHADLP COC(=O)C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccnc1 ZINC001168026114 859270168 /nfs/dbraw/zinc/27/01/68/859270168.db2.gz LDJYHOZAIYGQFL-GMQQQROESA-N 2 2 381.520 3.717 20 0 GHADLP COC(=O)C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccnc1 ZINC001168026114 859270180 /nfs/dbraw/zinc/27/01/80/859270180.db2.gz LDJYHOZAIYGQFL-GMQQQROESA-N 2 2 381.520 3.717 20 0 GHADLP CC(C)Cn1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000601475341 859285486 /nfs/dbraw/zinc/28/54/86/859285486.db2.gz YJNOOTRFUSXJJU-FQEVSTJZSA-N 2 2 396.579 3.538 20 0 GHADLP CC(C)Cn1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000601475341 859285497 /nfs/dbraw/zinc/28/54/97/859285497.db2.gz YJNOOTRFUSXJJU-FQEVSTJZSA-N 2 2 396.579 3.538 20 0 GHADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429423267 859337413 /nfs/dbraw/zinc/33/74/13/859337413.db2.gz ACESZAJMQFGWKD-SIKLNZKXSA-N 2 2 396.531 3.617 20 0 GHADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429423267 859337420 /nfs/dbraw/zinc/33/74/20/859337420.db2.gz ACESZAJMQFGWKD-SIKLNZKXSA-N 2 2 396.531 3.617 20 0 GHADLP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429427573 859348796 /nfs/dbraw/zinc/34/87/96/859348796.db2.gz PDHOKPBQBHTACE-IFMALSPDSA-N 2 2 384.495 3.920 20 0 GHADLP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429427573 859348812 /nfs/dbraw/zinc/34/88/12/859348812.db2.gz PDHOKPBQBHTACE-IFMALSPDSA-N 2 2 384.495 3.920 20 0 GHADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429445187 859390113 /nfs/dbraw/zinc/39/01/13/859390113.db2.gz FQBNZJAYOBBBER-PZJWPPBQSA-N 2 2 392.547 3.765 20 0 GHADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429445187 859390120 /nfs/dbraw/zinc/39/01/20/859390120.db2.gz FQBNZJAYOBBBER-PZJWPPBQSA-N 2 2 392.547 3.765 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H]3Cc4cccc(Cl)c4C3)CC2)C1 ZINC001168720170 859413462 /nfs/dbraw/zinc/41/34/62/859413462.db2.gz GYHMGGGKXPUMJR-MJGOQNOKSA-N 2 2 390.955 3.547 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H]3Cc4cccc(Cl)c4C3)CC2)C1 ZINC001168720170 859413465 /nfs/dbraw/zinc/41/34/65/859413465.db2.gz GYHMGGGKXPUMJR-MJGOQNOKSA-N 2 2 390.955 3.547 20 0 GHADLP CCn1c2ccc(Br)cc2nc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000483505455 859416024 /nfs/dbraw/zinc/41/60/24/859416024.db2.gz SYHDTFTXQOEALK-CABCVRRESA-N 2 2 377.330 3.535 20 0 GHADLP CCn1c2ccc(Br)cc2nc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000483505455 859416029 /nfs/dbraw/zinc/41/60/29/859416029.db2.gz SYHDTFTXQOEALK-CABCVRRESA-N 2 2 377.330 3.535 20 0 GHADLP CCn1c2ccc(Br)cc2nc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000483505458 859416082 /nfs/dbraw/zinc/41/60/82/859416082.db2.gz SYHDTFTXQOEALK-LSDHHAIUSA-N 2 2 377.330 3.535 20 0 GHADLP CCn1c2ccc(Br)cc2nc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000483505458 859416087 /nfs/dbraw/zinc/41/60/87/859416087.db2.gz SYHDTFTXQOEALK-LSDHHAIUSA-N 2 2 377.330 3.535 20 0 GHADLP Cc1sc2nc(C[NH+]3CCCC3)nc(NCCCn3cc[nH+]c3C)c2c1C ZINC000509438902 859446737 /nfs/dbraw/zinc/44/67/37/859446737.db2.gz MXMUOOXUTYINKE-UHFFFAOYSA-N 2 2 384.553 3.911 20 0 GHADLP CC[C@@H](C)[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000483750335 859589265 /nfs/dbraw/zinc/58/92/65/859589265.db2.gz UOVSALXFOQTMBL-XMSQKQJNSA-N 2 2 394.003 3.813 20 0 GHADLP Fc1ccc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2cccnc2)cc1 ZINC000543405966 859610753 /nfs/dbraw/zinc/61/07/53/859610753.db2.gz BIBJTXZMGMTJOO-XMMPIXPASA-N 2 2 391.490 3.932 20 0 GHADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1ccc(-n2cnnn2)cc1 ZINC000484126930 859817760 /nfs/dbraw/zinc/81/77/60/859817760.db2.gz FLBMCOCBISCOCC-MOPGFXCFSA-N 2 2 390.535 3.977 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000484130913 859840453 /nfs/dbraw/zinc/84/04/53/859840453.db2.gz QEDAMMNRDGIZGM-OXJNMPFZSA-N 2 2 378.438 3.993 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000484130913 859840466 /nfs/dbraw/zinc/84/04/66/859840466.db2.gz QEDAMMNRDGIZGM-OXJNMPFZSA-N 2 2 378.438 3.993 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000484166016 859857928 /nfs/dbraw/zinc/85/79/28/859857928.db2.gz QFSUQXMNZCAJAP-IIBYNOLFSA-N 2 2 376.447 3.576 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000484166016 859857941 /nfs/dbraw/zinc/85/79/41/859857941.db2.gz QFSUQXMNZCAJAP-IIBYNOLFSA-N 2 2 376.447 3.576 20 0 GHADLP CCO/C=C/[C@](O)(C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C(F)(F)F ZINC000895716149 859860406 /nfs/dbraw/zinc/86/04/06/859860406.db2.gz GVIWYJNEHDLYSX-PNLNETGJSA-N 2 2 398.469 3.788 20 0 GHADLP CCO/C=C/[C@](O)(C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(F)(F)F ZINC000895716149 859860412 /nfs/dbraw/zinc/86/04/12/859860412.db2.gz GVIWYJNEHDLYSX-PNLNETGJSA-N 2 2 398.469 3.788 20 0 GHADLP C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)[NH+]1CCCCC1 ZINC000765251452 859867198 /nfs/dbraw/zinc/86/71/98/859867198.db2.gz FTIFFUJRFKVBHO-LSDHHAIUSA-N 2 2 382.346 3.630 20 0 GHADLP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000921541140 860252661 /nfs/dbraw/zinc/25/26/61/860252661.db2.gz WGEVNOYWRKWAAM-UHFFFAOYSA-N 2 2 377.330 3.694 20 0 GHADLP CC[C@@H]1CCc2c(sc(=O)n2C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000728046141 860368167 /nfs/dbraw/zinc/36/81/67/860368167.db2.gz GRNPRCJPAVATBC-QGZVFWFLSA-N 2 2 387.593 3.966 20 0 GHADLP CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000728046141 860368172 /nfs/dbraw/zinc/36/81/72/860368172.db2.gz GRNPRCJPAVATBC-QGZVFWFLSA-N 2 2 387.593 3.966 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000444788920 860424301 /nfs/dbraw/zinc/42/43/01/860424301.db2.gz BHHUGSVMZUHHBG-SFHVURJKSA-N 2 2 386.515 3.566 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000444788920 860424310 /nfs/dbraw/zinc/42/43/10/860424310.db2.gz BHHUGSVMZUHHBG-SFHVURJKSA-N 2 2 386.515 3.566 20 0 GHADLP COc1ccc2c(c1)OCC[C@H]2[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766189958 860453188 /nfs/dbraw/zinc/45/31/88/860453188.db2.gz VIECZNUTJIWKFZ-JOCHJYFZSA-N 2 2 381.520 3.843 20 0 GHADLP COc1cc(Br)c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000061003175 860529542 /nfs/dbraw/zinc/52/95/42/860529542.db2.gz GKDDGXJXKDSLPH-UHFFFAOYSA-N 2 2 385.346 3.865 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000603299677 860614790 /nfs/dbraw/zinc/61/47/90/860614790.db2.gz OLSWUUGNLFHHHK-UHFFFAOYSA-N 2 2 396.579 3.535 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000603299677 860614793 /nfs/dbraw/zinc/61/47/93/860614793.db2.gz OLSWUUGNLFHHHK-UHFFFAOYSA-N 2 2 396.579 3.535 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428990484 860620720 /nfs/dbraw/zinc/62/07/20/860620720.db2.gz ICHSECWVPBIEEV-KSMMKXTCSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428990484 860620721 /nfs/dbraw/zinc/62/07/21/860620721.db2.gz ICHSECWVPBIEEV-KSMMKXTCSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000428990484 860620724 /nfs/dbraw/zinc/62/07/24/860620724.db2.gz ICHSECWVPBIEEV-KSMMKXTCSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000428990484 860620725 /nfs/dbraw/zinc/62/07/25/860620725.db2.gz ICHSECWVPBIEEV-KSMMKXTCSA-N 2 2 384.351 3.587 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1C ZINC000598962270 860691648 /nfs/dbraw/zinc/69/16/48/860691648.db2.gz UAJKNTVBHSJATK-LJQANCHMSA-N 2 2 380.492 3.615 20 0 GHADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)cc1OC ZINC000474797850 860786008 /nfs/dbraw/zinc/78/60/08/860786008.db2.gz VOCGVCDMPPYADZ-DLBZAZTESA-N 2 2 378.557 3.675 20 0 GHADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(Br)c(Cl)c2)C[C@H](C)O1 ZINC000494356314 881588111 /nfs/dbraw/zinc/58/81/11/881588111.db2.gz CTXPMIRHXCZZQD-STQMWFEESA-N 2 2 375.738 3.691 20 0 GHADLP Fc1ccc(-n2cc(C[NH2+]Cc3ccccc3C[NH+]3CCCCC3)nn2)cc1 ZINC000623343860 860891887 /nfs/dbraw/zinc/89/18/87/860891887.db2.gz MGHBIOCVRRMEPL-UHFFFAOYSA-N 2 2 379.483 3.682 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623358235 860916435 /nfs/dbraw/zinc/91/64/35/860916435.db2.gz UYVIDQGRTQDWSS-ZWKOTPCHSA-N 2 2 397.485 3.831 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623358235 860916442 /nfs/dbraw/zinc/91/64/42/860916442.db2.gz UYVIDQGRTQDWSS-ZWKOTPCHSA-N 2 2 397.485 3.831 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001170418760 881630273 /nfs/dbraw/zinc/63/02/73/881630273.db2.gz ZYRSTHNRHIGSTB-SJORKVTESA-N 2 2 391.309 3.789 20 0 GHADLP O=C(Nc1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1)c1ccc(Cl)cc1 ZINC000494389055 881625699 /nfs/dbraw/zinc/62/56/99/881625699.db2.gz BMWBRBTWRFRCEH-GOSISDBHSA-N 2 2 380.879 3.893 20 0 GHADLP O=C1[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000475050005 863109648 /nfs/dbraw/zinc/10/96/48/863109648.db2.gz SZFKMKKEEZSGAN-IBGZPJMESA-N 2 2 396.362 3.907 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001170418758 881630215 /nfs/dbraw/zinc/63/02/15/881630215.db2.gz ZYRSTHNRHIGSTB-IAGOWNOFSA-N 2 2 391.309 3.789 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CCC(O)(C(F)(F)F)CC3)CC2)cc1 ZINC000766191703 863242007 /nfs/dbraw/zinc/24/20/07/863242007.db2.gz NBZXYYXTNSTVPP-UHFFFAOYSA-N 2 2 385.474 3.547 20 0 GHADLP C[C@H]1CC(N2CC[NH+](Cc3ccncc3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168050941 863524998 /nfs/dbraw/zinc/52/49/98/863524998.db2.gz DNUCCMKWRBBRSZ-SFTDATJTSA-N 2 2 378.564 3.641 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@H](c3ccccc3)[NH+](C)C)c2)C[C@H](C)O1 ZINC000606377271 863571262 /nfs/dbraw/zinc/57/12/62/863571262.db2.gz QGPMNBBJGWPQCY-SVMVAKDDSA-N 2 2 381.520 3.537 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@H](c3ccccc3)[NH+](C)C)c2)C[C@H](C)O1 ZINC000606377271 863571274 /nfs/dbraw/zinc/57/12/74/863571274.db2.gz QGPMNBBJGWPQCY-SVMVAKDDSA-N 2 2 381.520 3.537 20 0 GHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444201527 863659223 /nfs/dbraw/zinc/65/92/23/863659223.db2.gz YUJHLPUXRRAPOI-SJORKVTESA-N 2 2 395.950 3.634 20 0 GHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444201527 863659229 /nfs/dbraw/zinc/65/92/29/863659229.db2.gz YUJHLPUXRRAPOI-SJORKVTESA-N 2 2 395.950 3.634 20 0 GHADLP Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000606690810 863783406 /nfs/dbraw/zinc/78/34/06/863783406.db2.gz NMJHKXISMKRKCK-NWSQWKLXSA-N 2 2 398.595 3.646 20 0 GHADLP Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000606690810 863783413 /nfs/dbraw/zinc/78/34/13/863783413.db2.gz NMJHKXISMKRKCK-NWSQWKLXSA-N 2 2 398.595 3.646 20 0 GHADLP CC[NH+](CC)CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000103448592 863989391 /nfs/dbraw/zinc/98/93/91/863989391.db2.gz AUTUEIAMYZHBOT-UHFFFAOYSA-N 2 2 376.504 3.556 20 0 GHADLP Cc1cc(C)nc(N2CC[NH+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001168055292 864005707 /nfs/dbraw/zinc/00/57/07/864005707.db2.gz USNNZTIYMZGYKQ-SFTDATJTSA-N 2 2 393.579 3.657 20 0 GHADLP CCCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccc(C)o1 ZINC000621317657 864103314 /nfs/dbraw/zinc/10/33/14/864103314.db2.gz RIPMIMFEXRVUEV-HXUWFJFHSA-N 2 2 398.551 3.885 20 0 GHADLP CCCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccc(C)o1 ZINC000621317657 864103319 /nfs/dbraw/zinc/10/33/19/864103319.db2.gz RIPMIMFEXRVUEV-HXUWFJFHSA-N 2 2 398.551 3.885 20 0 GHADLP CCCCC[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000734273887 864110899 /nfs/dbraw/zinc/11/08/99/864110899.db2.gz DAVPUNHWZXEXJC-RBBKRZOGSA-N 2 2 386.584 3.776 20 0 GHADLP CCCCC[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000734273887 864110906 /nfs/dbraw/zinc/11/09/06/864110906.db2.gz DAVPUNHWZXEXJC-RBBKRZOGSA-N 2 2 386.584 3.776 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000607279827 864235534 /nfs/dbraw/zinc/23/55/34/864235534.db2.gz OWPBCPGWVHVDSN-IIDMSEBBSA-N 2 2 381.923 3.605 20 0 GHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000607281850 864237403 /nfs/dbraw/zinc/23/74/03/864237403.db2.gz QCKKMDLOMWOTPJ-YADHBBJMSA-N 2 2 395.547 3.978 20 0 GHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000607281850 864237421 /nfs/dbraw/zinc/23/74/21/864237421.db2.gz QCKKMDLOMWOTPJ-YADHBBJMSA-N 2 2 395.547 3.978 20 0 GHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000163788653 864564951 /nfs/dbraw/zinc/56/49/51/864564951.db2.gz HWNGNDSQRKUQPG-GBXCKJPGSA-N 3 2 380.580 3.924 20 0 GHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000163788653 864564955 /nfs/dbraw/zinc/56/49/55/864564955.db2.gz HWNGNDSQRKUQPG-GBXCKJPGSA-N 3 2 380.580 3.924 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)s1 ZINC000475200682 864565638 /nfs/dbraw/zinc/56/56/38/864565638.db2.gz DSUVRAIEDBQRSU-WBVHZDCISA-N 2 2 384.611 3.674 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)COCc2ccccc2F)c(C)c1 ZINC000554643225 864648629 /nfs/dbraw/zinc/64/86/29/864648629.db2.gz WWHSLTLAPWURAO-NZQKXSOJSA-N 2 2 397.494 3.548 20 0 GHADLP COc1cc2c(cc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)O[C@@H](C)C2 ZINC000608069570 864961111 /nfs/dbraw/zinc/96/11/11/864961111.db2.gz CKRSSQLNDVNSON-JXFKEZNVSA-N 2 2 377.488 3.826 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000667735470 865138825 /nfs/dbraw/zinc/13/88/25/865138825.db2.gz UOIDNOFAFKGWNF-ZWKOTPCHSA-N 2 2 376.863 3.505 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000667735470 865138831 /nfs/dbraw/zinc/13/88/31/865138831.db2.gz UOIDNOFAFKGWNF-ZWKOTPCHSA-N 2 2 376.863 3.505 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc(OC)cc3F)cc2)CC1 ZINC000480740899 865206093 /nfs/dbraw/zinc/20/60/93/865206093.db2.gz QQPHADDDZLZRLZ-SFHVURJKSA-N 2 2 385.527 3.823 20 0 GHADLP Cc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)c1 ZINC000480758301 865237856 /nfs/dbraw/zinc/23/78/56/865237856.db2.gz NAWPNQDLPVPCDK-HYBUGGRVSA-N 2 2 390.531 3.905 20 0 GHADLP Cc1cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccc(OC(F)F)cc43)CC2)on1 ZINC000301348659 865302463 /nfs/dbraw/zinc/30/24/63/865302463.db2.gz JOKJEOMCALTXHR-UHFFFAOYSA-N 2 2 388.418 3.763 20 0 GHADLP Brc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccccn2)CC1 ZINC000301559996 865425157 /nfs/dbraw/zinc/42/51/57/865425157.db2.gz XSALVUDPXNSRAD-UHFFFAOYSA-N 2 2 383.293 3.715 20 0 GHADLP CN(C)C(=O)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1ccccc1 ZINC000172090156 865485518 /nfs/dbraw/zinc/48/55/18/865485518.db2.gz PVUVLQNQZKUUNB-QHCPKHFHSA-N 2 2 379.548 3.982 20 0 GHADLP Cc1cccc([C@@H]2CCCCN2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000608686797 865591914 /nfs/dbraw/zinc/59/19/14/865591914.db2.gz XJRAVJMAFMEHOW-OFNKIYASSA-N 2 2 398.595 3.709 20 0 GHADLP Cc1cccc([C@@H]2CCCCN2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000608686797 865591921 /nfs/dbraw/zinc/59/19/21/865591921.db2.gz XJRAVJMAFMEHOW-OFNKIYASSA-N 2 2 398.595 3.709 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3ccccc3C[NH+]3CCC(C)CC3)[nH+]c12 ZINC000555282461 865815613 /nfs/dbraw/zinc/81/56/13/865815613.db2.gz WSOOAYAKOYUCMX-UHFFFAOYSA-N 2 2 390.531 3.734 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000481169784 865914591 /nfs/dbraw/zinc/91/45/91/865914591.db2.gz FWDURAJRVZHVBF-YHYVQYDKSA-N 2 2 397.950 3.946 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000481169784 865914593 /nfs/dbraw/zinc/91/45/93/865914593.db2.gz FWDURAJRVZHVBF-YHYVQYDKSA-N 2 2 397.950 3.946 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCCc2ccccc21 ZINC000481177389 865930599 /nfs/dbraw/zinc/93/05/99/865930599.db2.gz ZLUAPCFANBLQRM-SXWKCWPCSA-N 2 2 391.559 3.855 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCCc2ccccc21 ZINC000481177389 865930603 /nfs/dbraw/zinc/93/06/03/865930603.db2.gz ZLUAPCFANBLQRM-SXWKCWPCSA-N 2 2 391.559 3.855 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000481177880 865931956 /nfs/dbraw/zinc/93/19/56/865931956.db2.gz RGYVPFRITFIOJT-AEFFLSMTSA-N 2 2 394.544 3.735 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000481177880 865931961 /nfs/dbraw/zinc/93/19/61/865931961.db2.gz RGYVPFRITFIOJT-AEFFLSMTSA-N 2 2 394.544 3.735 20 0 GHADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000175008182 865962946 /nfs/dbraw/zinc/96/29/46/865962946.db2.gz QZGCFHOXBLDNAH-JKSUJKDBSA-N 2 2 377.330 3.802 20 0 GHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481190053 865972458 /nfs/dbraw/zinc/97/24/58/865972458.db2.gz LEDHABZGJLDXEM-NPPFBWRTSA-N 2 2 381.520 3.522 20 0 GHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481190053 865972467 /nfs/dbraw/zinc/97/24/67/865972467.db2.gz LEDHABZGJLDXEM-NPPFBWRTSA-N 2 2 381.520 3.522 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+][C@@H]3CC[C@@H](C)C[C@@H]3C)n2)CC1 ZINC000481192378 865977865 /nfs/dbraw/zinc/97/78/65/865977865.db2.gz QUHDURZNBCFTGS-SOLBZPMBSA-N 2 2 378.586 3.728 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000481201548 865993479 /nfs/dbraw/zinc/99/34/79/865993479.db2.gz RMCXNWOLTWCSSN-BEFAXECRSA-N 2 2 389.902 3.918 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000481201548 865993486 /nfs/dbraw/zinc/99/34/86/865993486.db2.gz RMCXNWOLTWCSSN-BEFAXECRSA-N 2 2 389.902 3.918 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000175736413 866022499 /nfs/dbraw/zinc/02/24/99/866022499.db2.gz SSAHYPPVGOYYOF-QFIPXVFZSA-N 2 2 381.520 3.540 20 0 GHADLP COc1ccc(OCc2nc(C[NH+]3CCC(C[NH+](C)C)CC3)cs2)cc1 ZINC000534332377 866577740 /nfs/dbraw/zinc/57/77/40/866577740.db2.gz DUSUYCQKVPBZOU-UHFFFAOYSA-N 2 2 375.538 3.504 20 0 GHADLP CC(C)CCSCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359530 866646064 /nfs/dbraw/zinc/64/60/64/866646064.db2.gz KBXCAIUWMIKDAE-VQTJNVASSA-N 2 2 383.646 3.561 20 0 GHADLP CC(C)CCSCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359530 866646068 /nfs/dbraw/zinc/64/60/68/866646068.db2.gz KBXCAIUWMIKDAE-VQTJNVASSA-N 2 2 383.646 3.561 20 0 GHADLP CN(C(=O)NCC1(C)CCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534385469 866659788 /nfs/dbraw/zinc/65/97/88/866659788.db2.gz SWHRPPNJWTVINZ-WOJBJXKFSA-N 2 2 378.605 3.545 20 0 GHADLP CN(C(=O)NCC1(C)CCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534385469 866659802 /nfs/dbraw/zinc/65/98/02/866659802.db2.gz SWHRPPNJWTVINZ-WOJBJXKFSA-N 2 2 378.605 3.545 20 0 GHADLP CCC1(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000534384759 866698940 /nfs/dbraw/zinc/69/89/40/866698940.db2.gz OOGXHEVRTQOZMK-NHCUHLMSSA-N 2 2 392.632 3.935 20 0 GHADLP CCC1(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000534384759 866698947 /nfs/dbraw/zinc/69/89/47/866698947.db2.gz OOGXHEVRTQOZMK-NHCUHLMSSA-N 2 2 392.632 3.935 20 0 GHADLP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000153716873 867041324 /nfs/dbraw/zinc/04/13/24/867041324.db2.gz FTGHLPIUNRRPCP-PXNSSMCTSA-N 2 2 382.533 3.658 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153770844 867069263 /nfs/dbraw/zinc/06/92/63/867069263.db2.gz WAHILBBBLSLBGF-FUHWJXTLSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153770844 867069279 /nfs/dbraw/zinc/06/92/79/867069279.db2.gz WAHILBBBLSLBGF-FUHWJXTLSA-N 2 2 377.960 3.684 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000742373022 867267303 /nfs/dbraw/zinc/26/73/03/867267303.db2.gz DHYVRGIEHNALSF-UHFFFAOYSA-N 2 2 387.487 3.782 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000742373022 867267318 /nfs/dbraw/zinc/26/73/18/867267318.db2.gz DHYVRGIEHNALSF-UHFFFAOYSA-N 2 2 387.487 3.782 20 0 GHADLP COc1ccccc1[C@@H](CNC(=O)Nc1ccc2[nH+]c(C)cn2c1)[NH+]1CCCC1 ZINC000523421557 867293160 /nfs/dbraw/zinc/29/31/60/867293160.db2.gz HFSNZPAQCRAKEB-LJQANCHMSA-N 2 2 393.491 3.610 20 0 GHADLP [NH3+]C[C@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc(F)cc1 ZINC000479208408 867356182 /nfs/dbraw/zinc/35/61/82/867356182.db2.gz VUKKEACINKAEAT-FQEVSTJZSA-N 2 2 378.451 3.707 20 0 GHADLP C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523635723 867700797 /nfs/dbraw/zinc/70/07/97/867700797.db2.gz PSNZQHANNFEOOK-QGZVFWFLSA-N 2 2 383.561 3.579 20 0 GHADLP C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523635723 867700809 /nfs/dbraw/zinc/70/08/09/867700809.db2.gz PSNZQHANNFEOOK-QGZVFWFLSA-N 2 2 383.561 3.579 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(F)cc(F)c1 ZINC000155171594 867784722 /nfs/dbraw/zinc/78/47/22/867784722.db2.gz PPNZFFCMJCKIOY-MRXNPFEDSA-N 2 2 376.447 3.527 20 0 GHADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155189340 867795661 /nfs/dbraw/zinc/79/56/61/867795661.db2.gz OCLQPLHSBARVIV-HXOBKFHXSA-N 2 2 384.495 3.560 20 0 GHADLP C[N@H+](Cc1ccc(-n2cncn2)c(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000535086127 868080994 /nfs/dbraw/zinc/08/09/94/868080994.db2.gz GARJEWFPZOTQQD-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[N@@H+](Cc1ccc(-n2cncn2)c(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000535086127 868081002 /nfs/dbraw/zinc/08/10/02/868081002.db2.gz GARJEWFPZOTQQD-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(F)c1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000553913590 868454231 /nfs/dbraw/zinc/45/42/31/868454231.db2.gz NFSNRHQWGMUNIA-MRXNPFEDSA-N 2 2 399.514 3.580 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000535287590 868495644 /nfs/dbraw/zinc/49/56/44/868495644.db2.gz IXNNMHOTXGOGHN-NRFANRHFSA-N 2 2 376.504 3.947 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000535287590 868495647 /nfs/dbraw/zinc/49/56/47/868495647.db2.gz IXNNMHOTXGOGHN-NRFANRHFSA-N 2 2 376.504 3.947 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000479829587 868576495 /nfs/dbraw/zinc/57/64/95/868576495.db2.gz IHCLUDDGRHXRAR-VQTJNVASSA-N 2 2 396.526 3.518 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000479829587 868576499 /nfs/dbraw/zinc/57/64/99/868576499.db2.gz IHCLUDDGRHXRAR-VQTJNVASSA-N 2 2 396.526 3.518 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001170432482 882206919 /nfs/dbraw/zinc/20/69/19/882206919.db2.gz SMYBZONENBUNQU-ZFGGDYGUSA-N 2 2 396.531 3.616 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001170432482 882206934 /nfs/dbraw/zinc/20/69/34/882206934.db2.gz SMYBZONENBUNQU-ZFGGDYGUSA-N 2 2 396.531 3.616 20 0 GHADLP Cc1cn2cc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)ccc2[nH+]1 ZINC000524131297 868609550 /nfs/dbraw/zinc/60/95/50/868609550.db2.gz LULJPMJNFYILDZ-SEJPIABJSA-N 2 2 389.503 3.960 20 0 GHADLP Cc1cn2cc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)ccc2[nH+]1 ZINC000524131297 868609555 /nfs/dbraw/zinc/60/95/55/868609555.db2.gz LULJPMJNFYILDZ-SEJPIABJSA-N 2 2 389.503 3.960 20 0 GHADLP C[C@@H](CCN1CCC([NH+]2CCCCC2)CC1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000470976388 882211273 /nfs/dbraw/zinc/21/12/73/882211273.db2.gz SBIIMKGQIWIXIC-QFIPXVFZSA-N 3 2 390.660 3.666 20 0 GHADLP C[C@@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000470976388 882211285 /nfs/dbraw/zinc/21/12/85/882211285.db2.gz SBIIMKGQIWIXIC-QFIPXVFZSA-N 3 2 390.660 3.666 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2nccn2-c2ccccc2)C[C@@H](C)O1 ZINC000190833938 882282533 /nfs/dbraw/zinc/28/25/33/882282533.db2.gz MBUUORWNFGQRHX-WOJBJXKFSA-N 2 2 390.531 3.771 20 0 GHADLP CCC(CC)[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000524598243 869326111 /nfs/dbraw/zinc/32/61/11/869326111.db2.gz MTKWFTBVJMBJJG-HXUWFJFHSA-N 2 2 394.629 3.893 20 0 GHADLP CCC(CC)[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000524598243 869326116 /nfs/dbraw/zinc/32/61/16/869326116.db2.gz MTKWFTBVJMBJJG-HXUWFJFHSA-N 2 2 394.629 3.893 20 0 GHADLP CC[NH+]1CCC([NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000475641812 869734039 /nfs/dbraw/zinc/73/40/39/869734039.db2.gz UMXJYPGGVXFCOW-OAHLLOKOSA-N 2 2 395.263 3.575 20 0 GHADLP COCc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000462746250 870013840 /nfs/dbraw/zinc/01/38/40/870013840.db2.gz SXZSEICAGWDPSG-UHFFFAOYSA-N 2 2 387.955 3.788 20 0 GHADLP CN(C(=O)c1cccc2c1CCC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248386987 870355186 /nfs/dbraw/zinc/35/51/86/870355186.db2.gz ONGYBDDELXGFKX-DHIUTWEWSA-N 2 2 383.580 3.585 20 0 GHADLP CN(C(=O)c1cccc2c1CCC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248386987 870355204 /nfs/dbraw/zinc/35/52/04/870355204.db2.gz ONGYBDDELXGFKX-DHIUTWEWSA-N 2 2 383.580 3.585 20 0 GHADLP Fc1ccc2c(c1)CC[C@@H]([NH+]1CCC3(CC1)C[N@H+](Cc1ccoc1)CCO3)C2 ZINC001168433120 870363223 /nfs/dbraw/zinc/36/32/23/870363223.db2.gz VLAFURQCWYKPLV-JOCHJYFZSA-N 2 2 384.495 3.643 20 0 GHADLP Fc1ccc2c(c1)CC[C@@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccoc1)CCO3)C2 ZINC001168433120 870363239 /nfs/dbraw/zinc/36/32/39/870363239.db2.gz VLAFURQCWYKPLV-JOCHJYFZSA-N 2 2 384.495 3.643 20 0 GHADLP Brc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000248587195 870514861 /nfs/dbraw/zinc/51/48/61/870514861.db2.gz YCWGXRATLPGBCJ-KGLIPLIRSA-N 2 2 388.147 3.928 20 0 GHADLP Brc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000248587195 870514878 /nfs/dbraw/zinc/51/48/78/870514878.db2.gz YCWGXRATLPGBCJ-KGLIPLIRSA-N 2 2 388.147 3.928 20 0 GHADLP COCC[N@H+](C)CCCC1CC[NH+](Cc2noc(-c3ccccc3C)n2)CC1 ZINC000122103629 882418048 /nfs/dbraw/zinc/41/80/48/882418048.db2.gz VVFVXPAYXQHJRV-UHFFFAOYSA-N 2 2 386.540 3.615 20 0 GHADLP COCC[N@@H+](C)CCCC1CC[NH+](Cc2noc(-c3ccccc3C)n2)CC1 ZINC000122103629 882418056 /nfs/dbraw/zinc/41/80/56/882418056.db2.gz VVFVXPAYXQHJRV-UHFFFAOYSA-N 2 2 386.540 3.615 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103310264 870600903 /nfs/dbraw/zinc/60/09/03/870600903.db2.gz XCLHRUHJLFSGFU-HXUWFJFHSA-N 2 2 395.551 3.670 20 0 GHADLP Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000060354894 882434760 /nfs/dbraw/zinc/43/47/60/882434760.db2.gz UFBLWTIFMUVSMQ-RTWAWAEBSA-N 2 2 381.520 3.506 20 0 GHADLP Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000060354894 882434765 /nfs/dbraw/zinc/43/47/65/882434765.db2.gz UFBLWTIFMUVSMQ-RTWAWAEBSA-N 2 2 381.520 3.506 20 0 GHADLP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000463065530 870816134 /nfs/dbraw/zinc/81/61/34/870816134.db2.gz SFFQCVUOFXQHBW-DZFGPLHGSA-N 2 2 383.540 3.531 20 0 GHADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000463065530 870816148 /nfs/dbraw/zinc/81/61/48/870816148.db2.gz SFFQCVUOFXQHBW-DZFGPLHGSA-N 2 2 383.540 3.531 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2F)[C@H](C)C1 ZINC000249494825 870845077 /nfs/dbraw/zinc/84/50/77/870845077.db2.gz VXEBWQFIGGLEQQ-RKVPGOIHSA-N 2 2 399.938 3.533 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2F)[C@H](C)C1 ZINC000249494825 870845087 /nfs/dbraw/zinc/84/50/87/870845087.db2.gz VXEBWQFIGGLEQQ-RKVPGOIHSA-N 2 2 399.938 3.533 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168868099 870919856 /nfs/dbraw/zinc/91/98/56/870919856.db2.gz ZXBQUZUEGFUCOD-WIYYLYMNSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168868099 870919863 /nfs/dbraw/zinc/91/98/63/870919863.db2.gz ZXBQUZUEGFUCOD-WIYYLYMNSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463137392 870985475 /nfs/dbraw/zinc/98/54/75/870985475.db2.gz QPOLIDRTTWBIDG-OFVILXPXSA-N 2 2 393.575 3.662 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463137392 870985479 /nfs/dbraw/zinc/98/54/79/870985479.db2.gz QPOLIDRTTWBIDG-OFVILXPXSA-N 2 2 393.575 3.662 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463137392 870985490 /nfs/dbraw/zinc/98/54/90/870985490.db2.gz QPOLIDRTTWBIDG-OFVILXPXSA-N 3 2 393.575 3.662 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463137392 870985499 /nfs/dbraw/zinc/98/54/99/870985499.db2.gz QPOLIDRTTWBIDG-OFVILXPXSA-N 3 2 393.575 3.662 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C(=O)N1c1ccccc1 ZINC000463192081 871098038 /nfs/dbraw/zinc/09/80/38/871098038.db2.gz OQEJYCQJKGRPLV-ZNTQHIFFSA-N 2 2 377.532 3.823 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C(=O)N1c1ccccc1 ZINC000463192081 871098055 /nfs/dbraw/zinc/09/80/55/871098055.db2.gz OQEJYCQJKGRPLV-ZNTQHIFFSA-N 2 2 377.532 3.823 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C(=O)N1c1ccccc1 ZINC000463194951 871105132 /nfs/dbraw/zinc/10/51/32/871105132.db2.gz XIYWPGYXFHEUEF-WZONZLPQSA-N 2 2 395.522 3.616 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)Cc3ccsc31)C2 ZINC001169094912 871170175 /nfs/dbraw/zinc/17/01/75/871170175.db2.gz NFIJYSMLDUDDNO-YYIAUSFCSA-N 2 2 377.554 3.755 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)Cc3ccsc31)C2 ZINC001169094912 871170193 /nfs/dbraw/zinc/17/01/93/871170193.db2.gz NFIJYSMLDUDDNO-YYIAUSFCSA-N 2 2 377.554 3.755 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539084162 871230998 /nfs/dbraw/zinc/23/09/98/871230998.db2.gz LYCMBZFALIOAIV-QRWLVFNGSA-N 2 2 380.879 3.982 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cncn1Cc1ccccc1C(F)(F)F)C2 ZINC001169109571 871234965 /nfs/dbraw/zinc/23/49/65/871234965.db2.gz DOLIADNTYJZGBS-BJWYYQGGSA-N 2 2 378.442 3.665 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cncn1Cc1ccccc1C(F)(F)F)C2 ZINC001169109571 871234980 /nfs/dbraw/zinc/23/49/80/871234980.db2.gz DOLIADNTYJZGBS-BJWYYQGGSA-N 2 2 378.442 3.665 20 0 GHADLP CCC(CC)[C@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)[NH+](C)C ZINC000525736803 871320754 /nfs/dbraw/zinc/32/07/54/871320754.db2.gz ZPLGUQNHQBMAOM-YJBOKZPZSA-N 2 2 395.617 3.863 20 0 GHADLP CCC(CC)[C@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)[NH+](C)C ZINC000525736803 871320769 /nfs/dbraw/zinc/32/07/69/871320769.db2.gz ZPLGUQNHQBMAOM-YJBOKZPZSA-N 2 2 395.617 3.863 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@H]3CCC[N@@H+](C)[C@H]3c3cccs3)ccc2[nH+]1 ZINC000525747615 871333548 /nfs/dbraw/zinc/33/35/48/871333548.db2.gz PTKCMDHRJNLWIA-DNVCBOLYSA-N 2 2 383.521 3.909 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@H]3CCC[N@H+](C)[C@H]3c3cccs3)ccc2[nH+]1 ZINC000525747615 871333570 /nfs/dbraw/zinc/33/35/70/871333570.db2.gz PTKCMDHRJNLWIA-DNVCBOLYSA-N 2 2 383.521 3.909 20 0 GHADLP Cc1csc(N2CCC([NH2+]C[C@@H](C3CC3)[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000463269402 871335287 /nfs/dbraw/zinc/33/52/87/871335287.db2.gz VMJWMDFGQHQIAK-NRFANRHFSA-N 2 2 384.593 3.921 20 0 GHADLP Cc1csc(N2CCC([NH2+]C[C@@H](C3CC3)[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000463269402 871335309 /nfs/dbraw/zinc/33/53/09/871335309.db2.gz VMJWMDFGQHQIAK-NRFANRHFSA-N 2 2 384.593 3.921 20 0 GHADLP [NH3+]CCON=c1nc(C[NH+]2CCCCC2)[nH]c2scc(-c3ccccc3)c21 ZINC001156295045 871409120 /nfs/dbraw/zinc/40/91/20/871409120.db2.gz XSGSGEKUQGVMHO-UHFFFAOYSA-N 2 2 383.521 3.646 20 0 GHADLP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000462002825 871428863 /nfs/dbraw/zinc/42/88/63/871428863.db2.gz DZOZMFRNWGDTKW-UHFFFAOYSA-N 2 2 397.567 3.775 20 0 GHADLP CCOC(=O)N1CCC[C@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)CC1 ZINC001169661887 871729848 /nfs/dbraw/zinc/72/98/48/871729848.db2.gz BBYHLVFZLXCWHA-IBGZPJMESA-N 2 2 391.531 3.699 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](C)c3ccsc3)CC2)cc1 ZINC001169715433 871804799 /nfs/dbraw/zinc/80/47/99/871804799.db2.gz MKKGQWZVHBREHY-GOSISDBHSA-N 2 2 385.577 3.867 20 0 GHADLP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169774825 871835496 /nfs/dbraw/zinc/83/54/96/871835496.db2.gz JAEXHZBAGCVRHM-XMMPIXPASA-N 2 2 391.559 3.888 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169774825 871835506 /nfs/dbraw/zinc/83/55/06/871835506.db2.gz JAEXHZBAGCVRHM-XMMPIXPASA-N 2 2 391.559 3.888 20 0 GHADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC(=O)N(C)C)CCC2 ZINC000552097104 872054223 /nfs/dbraw/zinc/05/42/23/872054223.db2.gz SZDCVMQCILTKJC-VYTWWXLVSA-N 2 2 383.580 3.861 20 0 GHADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC(=O)N(C)C)CCC2 ZINC000552097104 872054242 /nfs/dbraw/zinc/05/42/42/872054242.db2.gz SZDCVMQCILTKJC-VYTWWXLVSA-N 2 2 383.580 3.861 20 0 GHADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC(=O)N(C)C)CCCO2 ZINC000552099706 872058079 /nfs/dbraw/zinc/05/80/79/872058079.db2.gz QTXPMONKJLYBOH-RKKYOWQMSA-N 2 2 399.579 3.697 20 0 GHADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC(=O)N(C)C)CCCO2 ZINC000552099706 872058103 /nfs/dbraw/zinc/05/81/03/872058103.db2.gz QTXPMONKJLYBOH-RKKYOWQMSA-N 2 2 399.579 3.697 20 0 GHADLP Cc1cc(C)n2c(C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cnc2n1 ZINC000093318308 872067726 /nfs/dbraw/zinc/06/77/26/872067726.db2.gz SBWLLCIJQTVMKP-NQIIRXRSSA-N 2 2 377.536 3.831 20 0 GHADLP Cc1cc(C)n2c(C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cnc2n1 ZINC000093318308 872067741 /nfs/dbraw/zinc/06/77/41/872067741.db2.gz SBWLLCIJQTVMKP-NQIIRXRSSA-N 2 2 377.536 3.831 20 0 GHADLP Cc1cc(C)n2c(C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cnc2n1 ZINC000093318308 872067763 /nfs/dbraw/zinc/06/77/63/872067763.db2.gz SBWLLCIJQTVMKP-NQIIRXRSSA-N 2 2 377.536 3.831 20 0 GHADLP Cc1cc(C)n2c(C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cnc2n1 ZINC000093318308 872067782 /nfs/dbraw/zinc/06/77/82/872067782.db2.gz SBWLLCIJQTVMKP-NQIIRXRSSA-N 2 2 377.536 3.831 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000447681452 872090705 /nfs/dbraw/zinc/09/07/05/872090705.db2.gz ZNSRFNTWOXHGNQ-NRFANRHFSA-N 2 2 380.536 3.618 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000447681452 872090727 /nfs/dbraw/zinc/09/07/27/872090727.db2.gz ZNSRFNTWOXHGNQ-NRFANRHFSA-N 2 2 380.536 3.618 20 0 GHADLP CC[N@@H+](Cc1cc(OC)c(OC)cc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564678 872272964 /nfs/dbraw/zinc/27/29/64/872272964.db2.gz DTPBKJWMNJYNGB-UHFFFAOYSA-N 2 2 399.535 3.846 20 0 GHADLP CC[N@H+](Cc1cc(OC)c(OC)cc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564678 872272985 /nfs/dbraw/zinc/27/29/85/872272985.db2.gz DTPBKJWMNJYNGB-UHFFFAOYSA-N 2 2 399.535 3.846 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc3c(c2)sc(=O)n3C)c(C)c1 ZINC000526989202 872430350 /nfs/dbraw/zinc/43/03/50/872430350.db2.gz SVXOJWNWXXACNY-LJQANCHMSA-N 2 2 392.528 3.944 20 0 GHADLP OC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000526995034 872447384 /nfs/dbraw/zinc/44/73/84/872447384.db2.gz HTTQFYVCTAYKHZ-KRWDZBQOSA-N 2 2 376.850 3.856 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H]3[NH+](C)CCCC3(C)C)n2)C1 ZINC000447893437 872491561 /nfs/dbraw/zinc/49/15/61/872491561.db2.gz MPRSPNAVBFHLMP-NVXWUHKLSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H]3[NH+](C)CCCC3(C)C)n2)C1 ZINC000447893437 872491564 /nfs/dbraw/zinc/49/15/64/872491564.db2.gz MPRSPNAVBFHLMP-NVXWUHKLSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)n2)C1 ZINC000447893437 872491572 /nfs/dbraw/zinc/49/15/72/872491572.db2.gz MPRSPNAVBFHLMP-NVXWUHKLSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)n2)C1 ZINC000447893437 872491576 /nfs/dbraw/zinc/49/15/76/872491576.db2.gz MPRSPNAVBFHLMP-NVXWUHKLSA-N 2 2 393.601 3.617 20 0 GHADLP Cc1cccc2nc(C[NH+](C)Cc3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)cn21 ZINC001195651909 872559877 /nfs/dbraw/zinc/55/98/77/872559877.db2.gz ZKGWAFFUCUMAJF-BGYRXZFFSA-N 2 2 392.547 3.884 20 0 GHADLP Cc1cccc2nc(C[NH+](C)Cc3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)cn21 ZINC001195651909 872559885 /nfs/dbraw/zinc/55/98/85/872559885.db2.gz ZKGWAFFUCUMAJF-BGYRXZFFSA-N 2 2 392.547 3.884 20 0 GHADLP Cc1cccc2nc(C[N@@H+](C)Cc3ccc(C[NH+]4C[C@@H](C)O[C@@H](C)C4)cc3)cn21 ZINC001195651909 872559896 /nfs/dbraw/zinc/55/98/96/872559896.db2.gz ZKGWAFFUCUMAJF-BGYRXZFFSA-N 2 2 392.547 3.884 20 0 GHADLP Cc1cccc2nc(C[N@H+](C)Cc3ccc(C[NH+]4C[C@@H](C)O[C@@H](C)C4)cc3)cn21 ZINC001195651909 872559910 /nfs/dbraw/zinc/55/99/10/872559910.db2.gz ZKGWAFFUCUMAJF-BGYRXZFFSA-N 2 2 392.547 3.884 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c3ccccc3)C1)C2 ZINC000527235922 872850169 /nfs/dbraw/zinc/85/01/69/872850169.db2.gz UCTAQPBEYDPWNI-UHOSZYNNSA-N 2 2 380.536 3.590 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)c3ccccc3)C1)C2 ZINC000527235922 872850183 /nfs/dbraw/zinc/85/01/83/872850183.db2.gz UCTAQPBEYDPWNI-UHOSZYNNSA-N 2 2 380.536 3.590 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c3ccccc3)C1)CC2 ZINC000527235922 872850199 /nfs/dbraw/zinc/85/01/99/872850199.db2.gz UCTAQPBEYDPWNI-UHOSZYNNSA-N 2 2 380.536 3.590 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)c3ccccc3)C1)CC2 ZINC000527235922 872850212 /nfs/dbraw/zinc/85/02/12/872850212.db2.gz UCTAQPBEYDPWNI-UHOSZYNNSA-N 2 2 380.536 3.590 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000527263099 872906483 /nfs/dbraw/zinc/90/64/83/872906483.db2.gz SBKDGQSYYANUKN-UXHICEINSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000527263099 872906492 /nfs/dbraw/zinc/90/64/92/872906492.db2.gz SBKDGQSYYANUKN-UXHICEINSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000527263099 872906502 /nfs/dbraw/zinc/90/65/02/872906502.db2.gz SBKDGQSYYANUKN-UXHICEINSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000527263099 872906507 /nfs/dbraw/zinc/90/65/07/872906507.db2.gz SBKDGQSYYANUKN-UXHICEINSA-N 2 2 394.563 3.619 20 0 GHADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000527506163 873195232 /nfs/dbraw/zinc/19/52/32/873195232.db2.gz FAPYSEZGUYGWQO-BEFAXECRSA-N 2 2 381.358 3.848 20 0 GHADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000527506163 873195238 /nfs/dbraw/zinc/19/52/38/873195238.db2.gz FAPYSEZGUYGWQO-BEFAXECRSA-N 2 2 381.358 3.848 20 0 GHADLP CCOC(=O)[C@@H](Cc1cccc2ccccc21)[NH2+]CCCCn1cc[nH+]c1C ZINC001196747652 873349281 /nfs/dbraw/zinc/34/92/81/873349281.db2.gz RWDGZYYFAGZGND-JOCHJYFZSA-N 2 2 379.504 3.889 20 0 GHADLP CC(C)c1ncc2c(n1)CC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C2 ZINC000527619675 873361007 /nfs/dbraw/zinc/36/10/07/873361007.db2.gz RDFRCKZKUDVANS-UHFFFAOYSA-N 2 2 393.579 3.689 20 0 GHADLP CC(C)c1ncc2c(n1)CC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C2 ZINC000527619675 873361022 /nfs/dbraw/zinc/36/10/22/873361022.db2.gz RDFRCKZKUDVANS-UHFFFAOYSA-N 2 2 393.579 3.689 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)cs2)cn1 ZINC000527649385 873402032 /nfs/dbraw/zinc/40/20/32/873402032.db2.gz FGWJJEUQBMKEEB-OAHLLOKOSA-N 2 2 387.578 3.607 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)cs2)cn1 ZINC000527649385 873402038 /nfs/dbraw/zinc/40/20/38/873402038.db2.gz FGWJJEUQBMKEEB-OAHLLOKOSA-N 2 2 387.578 3.607 20 0 GHADLP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000527693806 873463355 /nfs/dbraw/zinc/46/33/55/873463355.db2.gz YTLDEVBXEADVLT-MRXNPFEDSA-N 2 2 380.866 3.865 20 0 GHADLP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000527693806 873463361 /nfs/dbraw/zinc/46/33/61/873463361.db2.gz YTLDEVBXEADVLT-MRXNPFEDSA-N 2 2 380.866 3.865 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527946258 873791322 /nfs/dbraw/zinc/79/13/22/873791322.db2.gz HFUPLCJZVSYOHD-UZLBHIALSA-N 2 2 379.570 3.506 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527946258 873791329 /nfs/dbraw/zinc/79/13/29/873791329.db2.gz HFUPLCJZVSYOHD-UZLBHIALSA-N 2 2 379.570 3.506 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000448838182 874046160 /nfs/dbraw/zinc/04/61/60/874046160.db2.gz VVPHBNHWUOQIDW-DHIUTWEWSA-N 2 2 383.580 3.635 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2cn3c(cccc3Cl)n2)cc1 ZINC001198019396 874165750 /nfs/dbraw/zinc/16/57/50/874165750.db2.gz ZNPYKTXEZCJAIV-UHFFFAOYSA-N 2 2 399.926 3.624 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2cn3c(cccc3Cl)n2)cc1 ZINC001198019396 874165753 /nfs/dbraw/zinc/16/57/53/874165753.db2.gz ZNPYKTXEZCJAIV-UHFFFAOYSA-N 2 2 399.926 3.624 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccc(C3CCC3)nc2)cc1 ZINC001198017202 874166313 /nfs/dbraw/zinc/16/63/13/874166313.db2.gz HYRGVZIZAJUCJI-UHFFFAOYSA-N 2 2 380.536 3.985 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccc(C3CCC3)nc2)cc1 ZINC001198017202 874166323 /nfs/dbraw/zinc/16/63/23/874166323.db2.gz HYRGVZIZAJUCJI-UHFFFAOYSA-N 2 2 380.536 3.985 20 0 GHADLP CC(=O)c1ccc(NC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)c(F)c1 ZINC001198020732 874184048 /nfs/dbraw/zinc/18/40/48/874184048.db2.gz CKMFMKIBQCLXQF-UHFFFAOYSA-N 2 2 385.483 3.664 20 0 GHADLP CC(=O)c1ccc(NC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)c(F)c1 ZINC001198020732 874184051 /nfs/dbraw/zinc/18/40/51/874184051.db2.gz CKMFMKIBQCLXQF-UHFFFAOYSA-N 2 2 385.483 3.664 20 0 GHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H](c3ccccc3)c3cncnc3)c2)CCO1 ZINC000541741448 874202813 /nfs/dbraw/zinc/20/28/13/874202813.db2.gz JOVDOSNDNPGZRB-YADARESESA-N 2 2 388.515 3.577 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H](c3ccccc3)c3cncnc3)c2)CCO1 ZINC000541741448 874202826 /nfs/dbraw/zinc/20/28/26/874202826.db2.gz JOVDOSNDNPGZRB-YADARESESA-N 2 2 388.515 3.577 20 0 GHADLP C[C@H](C[C@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCC1)NC(=O)OC(C)(C)C ZINC000769684514 874206367 /nfs/dbraw/zinc/20/63/67/874206367.db2.gz NMRSTYFQPCOOOV-DLBZAZTESA-N 2 2 385.618 3.629 20 0 GHADLP C[C@@H](C[C@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCC1)NC(=O)OC(C)(C)C ZINC000769684520 874207062 /nfs/dbraw/zinc/20/70/62/874207062.db2.gz NMRSTYFQPCOOOV-IRXDYDNUSA-N 2 2 385.618 3.629 20 0 GHADLP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000177337613 882820891 /nfs/dbraw/zinc/82/08/91/882820891.db2.gz GPANVPIJAURJBA-OAHLLOKOSA-N 2 2 383.989 3.572 20 0 GHADLP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000528319716 874375238 /nfs/dbraw/zinc/37/52/38/874375238.db2.gz YHKYEXJMZLSLHG-NHCUHLMSSA-N 2 2 380.536 3.664 20 0 GHADLP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000528319716 874375253 /nfs/dbraw/zinc/37/52/53/874375253.db2.gz YHKYEXJMZLSLHG-NHCUHLMSSA-N 2 2 380.536 3.664 20 0 GHADLP C[C@@H](N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H](c1ccccc1)[NH+](C)C ZINC000769988296 874387673 /nfs/dbraw/zinc/38/76/73/874387673.db2.gz KLCSKXKEILXUIA-HBUYNFGHSA-N 2 2 381.564 3.557 20 0 GHADLP C[C@@H](N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H](c1ccccc1)[NH+](C)C ZINC000769988296 874387689 /nfs/dbraw/zinc/38/76/89/874387689.db2.gz KLCSKXKEILXUIA-HBUYNFGHSA-N 2 2 381.564 3.557 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449047062 874414872 /nfs/dbraw/zinc/41/48/72/874414872.db2.gz MSEUMRVOWVGNBY-BVGQSLNGSA-N 2 2 393.503 3.772 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449047062 874414878 /nfs/dbraw/zinc/41/48/78/874414878.db2.gz MSEUMRVOWVGNBY-BVGQSLNGSA-N 2 2 393.503 3.772 20 0 GHADLP COc1cc2ccccc2cc1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000449081085 874463336 /nfs/dbraw/zinc/46/33/36/874463336.db2.gz BQCIMTDELVHQFM-UHFFFAOYSA-N 2 2 389.543 3.886 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000464780937 874479447 /nfs/dbraw/zinc/47/94/47/874479447.db2.gz UMILEYKAHZQRNA-AABGKKOBSA-N 2 2 385.596 3.795 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000464780937 874479452 /nfs/dbraw/zinc/47/94/52/874479452.db2.gz UMILEYKAHZQRNA-AABGKKOBSA-N 2 2 385.596 3.795 20 0 GHADLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)c(OC)c1OC ZINC000449092006 874492492 /nfs/dbraw/zinc/49/24/92/874492492.db2.gz SHXXPNXKXUGKOX-SFHVURJKSA-N 2 2 398.547 3.898 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC001198789918 874611723 /nfs/dbraw/zinc/61/17/23/874611723.db2.gz AZPDLZRVUXAGTN-RTBURBONSA-N 2 2 375.557 3.793 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC001198789918 874611726 /nfs/dbraw/zinc/61/17/26/874611726.db2.gz AZPDLZRVUXAGTN-RTBURBONSA-N 2 2 375.557 3.793 20 0 GHADLP Cc1cc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)nc(N2CCCC2)n1 ZINC000449336527 874753835 /nfs/dbraw/zinc/75/38/35/874753835.db2.gz NXBDAOKLTMJHOF-HXUWFJFHSA-N 2 2 393.579 3.570 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000542030558 874776739 /nfs/dbraw/zinc/77/67/39/874776739.db2.gz GCKZKACXRFZVNL-UHFFFAOYSA-N 2 2 393.601 3.681 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000542030558 874776744 /nfs/dbraw/zinc/77/67/44/874776744.db2.gz GCKZKACXRFZVNL-UHFFFAOYSA-N 2 2 393.601 3.681 20 0 GHADLP COc1nsc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1Cl ZINC001199237556 874866302 /nfs/dbraw/zinc/86/63/02/874866302.db2.gz DPWHBLWZNKGJCJ-ZIAGYGMSSA-N 2 2 395.956 3.704 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475730000 882872996 /nfs/dbraw/zinc/87/29/96/882872996.db2.gz PFKQIRQWFNLINM-URXFXBBRSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475730000 882873016 /nfs/dbraw/zinc/87/30/16/882873016.db2.gz PFKQIRQWFNLINM-URXFXBBRSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475730000 882873032 /nfs/dbraw/zinc/87/30/32/882873032.db2.gz PFKQIRQWFNLINM-URXFXBBRSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475730000 882873050 /nfs/dbraw/zinc/87/30/50/882873050.db2.gz PFKQIRQWFNLINM-URXFXBBRSA-N 2 2 383.580 3.622 20 0 GHADLP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ncc(Br)s2)cc1 ZINC001199329497 874929874 /nfs/dbraw/zinc/92/98/74/874929874.db2.gz TZJMGUJDBMXCEY-UHFFFAOYSA-N 2 2 398.370 3.916 20 0 GHADLP C[C@@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542132016 874986873 /nfs/dbraw/zinc/98/68/73/874986873.db2.gz GGARJLRJUQVZSE-LJQANCHMSA-N 2 2 380.536 3.743 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000192420990 882917334 /nfs/dbraw/zinc/91/73/34/882917334.db2.gz WJYYDUQWHXQZKB-UHFFFAOYSA-N 2 2 391.318 3.622 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000192420990 882917349 /nfs/dbraw/zinc/91/73/49/882917349.db2.gz WJYYDUQWHXQZKB-UHFFFAOYSA-N 2 2 391.318 3.622 20 0 GHADLP c1cc([C@H]2CCC[NH+](CCCCCC[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)C2)[nH]n1 ZINC000105570188 875339847 /nfs/dbraw/zinc/33/98/47/875339847.db2.gz AHNXQMANYIZMJO-PMACEKPBSA-N 2 2 384.572 3.752 20 0 GHADLP c1cc([C@H]2CCC[NH+](CCCCCC[N@H+]3CCC[C@H](c4cc[nH]n4)C3)C2)[nH]n1 ZINC000105570188 875339860 /nfs/dbraw/zinc/33/98/60/875339860.db2.gz AHNXQMANYIZMJO-PMACEKPBSA-N 2 2 384.572 3.752 20 0 GHADLP c1cc([C@H]2CCC[N@@H+](CCCCCC[NH+]3CCC[C@H](c4cc[nH]n4)C3)C2)[nH]n1 ZINC000105570188 875339872 /nfs/dbraw/zinc/33/98/72/875339872.db2.gz AHNXQMANYIZMJO-PMACEKPBSA-N 2 2 384.572 3.752 20 0 GHADLP c1cc([C@H]2CCC[N@H+](CCCCCC[NH+]3CCC[C@H](c4cc[nH]n4)C3)C2)[nH]n1 ZINC000105570188 875339884 /nfs/dbraw/zinc/33/98/84/875339884.db2.gz AHNXQMANYIZMJO-PMACEKPBSA-N 2 2 384.572 3.752 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccccc1 ZINC000542336761 875398445 /nfs/dbraw/zinc/39/84/45/875398445.db2.gz WASPKUUMMHJYAV-RBBKRZOGSA-N 2 2 394.563 3.912 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3CCCC[NH+]3Cc3ccccc3)sc2C1 ZINC000542389013 875490528 /nfs/dbraw/zinc/49/05/28/875490528.db2.gz AZUJXJNWUZTLEE-LJQANCHMSA-N 2 2 398.576 3.903 20 0 GHADLP CC(C)[N@H+]1CCc2nc(NC(=O)[C@H]3CCCC[NH+]3Cc3ccccc3)sc2C1 ZINC000542389013 875490532 /nfs/dbraw/zinc/49/05/32/875490532.db2.gz AZUJXJNWUZTLEE-LJQANCHMSA-N 2 2 398.576 3.903 20 0 GHADLP CC(C)[NH+]1CCc2nc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)sc2C1 ZINC000542389013 875490538 /nfs/dbraw/zinc/49/05/38/875490538.db2.gz AZUJXJNWUZTLEE-LJQANCHMSA-N 2 2 398.576 3.903 20 0 GHADLP CC(C)[NH+]1CCc2nc(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)sc2C1 ZINC000542389013 875490542 /nfs/dbraw/zinc/49/05/42/875490542.db2.gz AZUJXJNWUZTLEE-LJQANCHMSA-N 2 2 398.576 3.903 20 0 GHADLP CC[NH+]1CCN(Cc2ccc(Nc3ccc(N)[nH+]c3)cc2C(F)(F)F)CC1 ZINC001201291804 875594456 /nfs/dbraw/zinc/59/44/56/875594456.db2.gz CTHYNRSCPDRMCO-UHFFFAOYSA-N 2 2 379.430 3.564 20 0 GHADLP CC(C)=CCC[C@@H](C)C[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001201495696 875719644 /nfs/dbraw/zinc/71/96/44/875719644.db2.gz FFFLVQQFBYHZRK-JOCHJYFZSA-N 3 2 390.660 3.545 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCCN(C4CCCCC4)C3=O)CC2)cc1 ZINC000785568924 876134701 /nfs/dbraw/zinc/13/47/01/876134701.db2.gz SPKRRORHOCMYKU-QHCPKHFHSA-N 2 2 398.595 3.635 20 0 GHADLP COc1cccc([C@@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000173206822 876247970 /nfs/dbraw/zinc/24/79/70/876247970.db2.gz IPGQAOBECWMYBA-NHCUHLMSSA-N 2 2 394.563 3.685 20 0 GHADLP COc1cccc([C@@H](C)[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000173206822 876247983 /nfs/dbraw/zinc/24/79/83/876247983.db2.gz IPGQAOBECWMYBA-NHCUHLMSSA-N 2 2 394.563 3.685 20 0 GHADLP Cc1nc(C2CC2)ccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450354200 876318105 /nfs/dbraw/zinc/31/81/05/876318105.db2.gz KAFITGKXPQSYPZ-DHIUTWEWSA-N 2 2 398.595 3.677 20 0 GHADLP Cc1nc(C2CC2)ccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450354200 876318118 /nfs/dbraw/zinc/31/81/18/876318118.db2.gz KAFITGKXPQSYPZ-DHIUTWEWSA-N 2 2 398.595 3.677 20 0 GHADLP O=C(C[NH+]1CCCCCCC1)Nc1ccc(NCc2c[nH+]c3n2CCC3)cc1 ZINC000850210160 876729291 /nfs/dbraw/zinc/72/92/91/876729291.db2.gz BNQGQVHQOLWCHB-UHFFFAOYSA-N 2 2 381.524 3.646 20 0 GHADLP O=C(N1CC[C@@H]([NH2+]CCCNc2cccc[nH+]2)c2ccccc2C1)C(F)(F)F ZINC000850439565 876921880 /nfs/dbraw/zinc/92/18/80/876921880.db2.gz MEZQIRWBMPNWRO-QGZVFWFLSA-N 2 2 392.425 3.509 20 0 GHADLP O=C(N1CC[C@H]([NH2+]CCCNc2cccc[nH+]2)c2ccccc2C1)C(F)(F)F ZINC000850439564 876922209 /nfs/dbraw/zinc/92/22/09/876922209.db2.gz MEZQIRWBMPNWRO-KRWDZBQOSA-N 2 2 392.425 3.509 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000786834669 876953381 /nfs/dbraw/zinc/95/33/81/876953381.db2.gz GOTPXVXZOSNFPO-DLBZAZTESA-N 2 2 375.476 3.814 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000850516946 876988652 /nfs/dbraw/zinc/98/86/52/876988652.db2.gz PLGLDBNTTQYBEO-QFWMQHCXSA-N 2 2 375.516 3.768 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000850516946 876988659 /nfs/dbraw/zinc/98/86/59/876988659.db2.gz PLGLDBNTTQYBEO-QFWMQHCXSA-N 2 2 375.516 3.768 20 0 GHADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1SC(F)F ZINC000850556671 877022909 /nfs/dbraw/zinc/02/29/09/877022909.db2.gz IQYSKRXSXYFEJM-CJNGLKHVSA-N 2 2 386.508 3.914 20 0 GHADLP CC[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134912134 883104937 /nfs/dbraw/zinc/10/49/37/883104937.db2.gz ZYZSHTCAGNUSFO-JRGCBEDISA-N 2 2 389.971 3.856 20 0 GHADLP CC[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134912134 883104941 /nfs/dbraw/zinc/10/49/41/883104941.db2.gz ZYZSHTCAGNUSFO-JRGCBEDISA-N 2 2 389.971 3.856 20 0 GHADLP CC[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134912134 883104951 /nfs/dbraw/zinc/10/49/51/883104951.db2.gz ZYZSHTCAGNUSFO-JRGCBEDISA-N 2 2 389.971 3.856 20 0 GHADLP CC[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134912134 883104957 /nfs/dbraw/zinc/10/49/57/883104957.db2.gz ZYZSHTCAGNUSFO-JRGCBEDISA-N 2 2 389.971 3.856 20 0 GHADLP CCOC(=O)C1CCC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000373488785 877293384 /nfs/dbraw/zinc/29/33/84/877293384.db2.gz IEFULQXLUXOXCT-UHFFFAOYSA-N 2 2 376.463 3.503 20 0 GHADLP CCc1ccc([C@@H](CC(C)C)[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000530225762 877310621 /nfs/dbraw/zinc/31/06/21/877310621.db2.gz NARQLHRNOKHXDX-OAQYLSRUSA-N 2 2 381.568 3.911 20 0 GHADLP Cc1cccn2cc(COc3ccc(C[NH2+][C@H]4CC[NH2+]C45CCC5)cc3)nc12 ZINC000530244361 877358720 /nfs/dbraw/zinc/35/87/20/877358720.db2.gz KFNRIRFUVICMOZ-NRFANRHFSA-N 2 2 376.504 3.596 20 0 GHADLP O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccccc3-n3cc[nH+]c3)CC2)cc1 ZINC000152269678 877510296 /nfs/dbraw/zinc/51/02/96/877510296.db2.gz PTXYZCQNQPBBLW-UHFFFAOYSA-N 2 2 377.448 3.539 20 0 GHADLP COc1ccccc1C[C@H](C)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551700078 877667503 /nfs/dbraw/zinc/66/75/03/877667503.db2.gz UVTQEOGIUOJWNE-NZQKXSOJSA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccccc1C[C@H](C)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551700078 877667510 /nfs/dbraw/zinc/66/75/10/877667510.db2.gz UVTQEOGIUOJWNE-NZQKXSOJSA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccccc1C[C@H](C)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551700078 877667515 /nfs/dbraw/zinc/66/75/15/877667515.db2.gz UVTQEOGIUOJWNE-NZQKXSOJSA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccccc1C[C@H](C)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551700078 877667520 /nfs/dbraw/zinc/66/75/20/877667520.db2.gz UVTQEOGIUOJWNE-NZQKXSOJSA-N 2 2 382.548 3.849 20 0 GHADLP Cc1cccc([C@@H]2CC(=O)N(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)C2)c1 ZINC000788380974 878044478 /nfs/dbraw/zinc/04/44/78/878044478.db2.gz AHHXRTPVJLZQTN-OAQYLSRUSA-N 2 2 392.547 3.681 20 0 GHADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3COCc4cccc(Cl)c43)cc2)CC1 ZINC000788539884 878134686 /nfs/dbraw/zinc/13/46/86/878134686.db2.gz OUUJSJMUEWMJSS-QFIPXVFZSA-N 2 2 399.966 3.839 20 0 GHADLP CC[N@H+](CCCc1nc(C)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000477758709 878148528 /nfs/dbraw/zinc/14/85/28/878148528.db2.gz HESMIAIXKUZBAZ-UHFFFAOYSA-N 2 2 386.544 3.523 20 0 GHADLP CC[N@@H+](CCCc1nc(C)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000477758709 878148534 /nfs/dbraw/zinc/14/85/34/878148534.db2.gz HESMIAIXKUZBAZ-UHFFFAOYSA-N 2 2 386.544 3.523 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000177388256 878685840 /nfs/dbraw/zinc/68/58/40/878685840.db2.gz JJNQNJNSDPMGNV-DLBZAZTESA-N 2 2 398.532 3.534 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000460987196 878936010 /nfs/dbraw/zinc/93/60/10/878936010.db2.gz KPAQQUOXEIASSH-RTBURBONSA-N 2 2 398.378 3.581 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000460987196 878936024 /nfs/dbraw/zinc/93/60/24/878936024.db2.gz KPAQQUOXEIASSH-RTBURBONSA-N 2 2 398.378 3.581 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246176399 879113028 /nfs/dbraw/zinc/11/30/28/879113028.db2.gz JSNMDGSOLQPPNT-ZCNNSNEGSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246176399 879113032 /nfs/dbraw/zinc/11/30/32/879113032.db2.gz JSNMDGSOLQPPNT-ZCNNSNEGSA-N 2 2 379.548 3.823 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246487740 879611249 /nfs/dbraw/zinc/61/12/49/879611249.db2.gz GYYHSRTXWQWIQQ-AHRSYUTCSA-N 2 2 387.593 3.533 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246487740 879611258 /nfs/dbraw/zinc/61/12/58/879611258.db2.gz GYYHSRTXWQWIQQ-AHRSYUTCSA-N 2 2 387.593 3.533 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246487740 879611263 /nfs/dbraw/zinc/61/12/63/879611263.db2.gz GYYHSRTXWQWIQQ-AHRSYUTCSA-N 2 2 387.593 3.533 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246487740 879611269 /nfs/dbraw/zinc/61/12/69/879611269.db2.gz GYYHSRTXWQWIQQ-AHRSYUTCSA-N 2 2 387.593 3.533 20 0 GHADLP CN(C(=O)NCC1(C2CC2)CCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246859155 879831067 /nfs/dbraw/zinc/83/10/67/879831067.db2.gz QSLITLXTBVSFKL-LEWJYISDSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)NCC1(C2CC2)CCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246859155 879831081 /nfs/dbraw/zinc/83/10/81/879831081.db2.gz QSLITLXTBVSFKL-LEWJYISDSA-N 2 2 390.616 3.545 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000246957261 879861626 /nfs/dbraw/zinc/86/16/26/879861626.db2.gz JOMWXDBLBDVXFE-AUSIDOKSSA-N 2 2 379.548 3.980 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000246957261 879861648 /nfs/dbraw/zinc/86/16/48/879861648.db2.gz JOMWXDBLBDVXFE-AUSIDOKSSA-N 2 2 379.548 3.980 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000247856626 880076708 /nfs/dbraw/zinc/07/67/08/880076708.db2.gz YGEJOPITOSBJLD-FCHUYYIVSA-N 2 2 399.485 3.736 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000247856626 880076715 /nfs/dbraw/zinc/07/67/15/880076715.db2.gz YGEJOPITOSBJLD-FCHUYYIVSA-N 2 2 399.485 3.736 20 0 GHADLP CCSc1cccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000185495646 880600125 /nfs/dbraw/zinc/60/01/25/880600125.db2.gz PHFSDGWLCGEXOK-UHFFFAOYSA-N 2 2 386.561 3.799 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000643278669 912600556 /nfs/dbraw/zinc/60/05/56/912600556.db2.gz HGFHOHSGHAKFJU-VXKWHMMOSA-N 2 2 395.551 3.532 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000643278669 912600566 /nfs/dbraw/zinc/60/05/66/912600566.db2.gz HGFHOHSGHAKFJU-VXKWHMMOSA-N 2 2 395.551 3.532 20 0 GHADLP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000185978897 880748024 /nfs/dbraw/zinc/74/80/24/880748024.db2.gz LHJQXXHQMIQDDF-GOSISDBHSA-N 2 2 376.907 3.867 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@@H](OC(C)C)C3(C)C)CC2)cc1 ZINC000453331536 880763903 /nfs/dbraw/zinc/76/39/03/880763903.db2.gz UINDMBUZNJSNFY-FCHUYYIVSA-N 2 2 387.568 3.791 20 0 GHADLP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C12CCCC2 ZINC000453319007 880790635 /nfs/dbraw/zinc/79/06/35/880790635.db2.gz CIQPABUZICBSKS-GOTSBHOMSA-N 2 2 399.579 3.937 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)CC1 ZINC000429527935 880929434 /nfs/dbraw/zinc/92/94/34/880929434.db2.gz KXNIJAYFCTXUNP-DEOSSOPVSA-N 2 2 393.575 3.674 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)CC1 ZINC000429527935 880929445 /nfs/dbraw/zinc/92/94/45/880929445.db2.gz KXNIJAYFCTXUNP-DEOSSOPVSA-N 2 2 393.575 3.674 20 0 GHADLP COCCOCc1ccc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000643319225 912624537 /nfs/dbraw/zinc/62/45/37/912624537.db2.gz HPGQJZREKKFJJT-HSZRJFAPSA-N 2 2 382.548 3.992 20 0 GHADLP COCCOCc1ccc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000643319225 912624545 /nfs/dbraw/zinc/62/45/45/912624545.db2.gz HPGQJZREKKFJJT-HSZRJFAPSA-N 2 2 382.548 3.992 20 0 GHADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000532144422 881235143 /nfs/dbraw/zinc/23/51/43/881235143.db2.gz HONXOGDWVFRASK-IBGZPJMESA-N 2 2 397.910 3.624 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C12CCC2 ZINC000858476017 883127156 /nfs/dbraw/zinc/12/71/56/883127156.db2.gz MSMHDCMYFRVSSE-GOSISDBHSA-N 2 2 386.540 3.572 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C2 ZINC000476803865 883160302 /nfs/dbraw/zinc/16/03/02/883160302.db2.gz ZYFWSOUGVOPYTC-SIKLNZKXSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C2 ZINC000476803865 883160310 /nfs/dbraw/zinc/16/03/10/883160310.db2.gz ZYFWSOUGVOPYTC-SIKLNZKXSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)CC2 ZINC000476803865 883160312 /nfs/dbraw/zinc/16/03/12/883160312.db2.gz ZYFWSOUGVOPYTC-SIKLNZKXSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)CC2 ZINC000476803865 883160318 /nfs/dbraw/zinc/16/03/18/883160318.db2.gz ZYFWSOUGVOPYTC-SIKLNZKXSA-N 2 2 394.563 3.665 20 0 GHADLP O=[S@](CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccccc1 ZINC000475752779 883202329 /nfs/dbraw/zinc/20/23/29/883202329.db2.gz WEYZSPVQPYKTGS-WNCULLNHSA-N 2 2 382.573 3.782 20 0 GHADLP O=[S@](CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccccc1 ZINC000475752779 883202347 /nfs/dbraw/zinc/20/23/47/883202347.db2.gz WEYZSPVQPYKTGS-WNCULLNHSA-N 2 2 382.573 3.782 20 0 GHADLP O=[S@](CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000475752779 883202364 /nfs/dbraw/zinc/20/23/64/883202364.db2.gz WEYZSPVQPYKTGS-WNCULLNHSA-N 2 2 382.573 3.782 20 0 GHADLP O=[S@](CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000475752779 883202379 /nfs/dbraw/zinc/20/23/79/883202379.db2.gz WEYZSPVQPYKTGS-WNCULLNHSA-N 2 2 382.573 3.782 20 0 GHADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)Nc1ccn2cc[nH+]c2c1 ZINC000666975752 883601248 /nfs/dbraw/zinc/60/12/48/883601248.db2.gz XXWXXCRYGMWBMY-LJQANCHMSA-N 2 2 389.503 3.758 20 0 GHADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)Nc1ccn2cc[nH+]c2c1 ZINC000666975752 883601255 /nfs/dbraw/zinc/60/12/55/883601255.db2.gz XXWXXCRYGMWBMY-LJQANCHMSA-N 2 2 389.503 3.758 20 0 GHADLP COc1ccc(C[NH+](C)C)cc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000666284805 884611700 /nfs/dbraw/zinc/61/17/00/884611700.db2.gz FVGQIDWVEMEWER-GOSISDBHSA-N 2 2 378.476 3.641 20 0 GHADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)C[C@H](C)O1 ZINC000643898369 912932154 /nfs/dbraw/zinc/93/21/54/912932154.db2.gz BUGUZRDBOQOYNH-OALUTQOASA-N 2 2 386.511 3.994 20 0 GHADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C[C@H](C)O1 ZINC000643898408 912932315 /nfs/dbraw/zinc/93/23/15/912932315.db2.gz GMZGQQLDDRSOSD-OALUTQOASA-N 2 2 378.520 3.614 20 0 GHADLP Clc1ccc(-c2ncc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)s2)cc1 ZINC000655767201 885424939 /nfs/dbraw/zinc/42/49/39/885424939.db2.gz YZQJIHXMMPYIRX-QGZVFWFLSA-N 2 2 377.941 3.806 20 0 GHADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]C1CCN(c2cnccn2)CC1 ZINC000532510960 885901376 /nfs/dbraw/zinc/90/13/76/885901376.db2.gz BECITECPNYFMRO-JOCHJYFZSA-N 2 2 393.579 3.508 20 0 GHADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]C1CCN(c2cnccn2)CC1 ZINC000532510960 885901395 /nfs/dbraw/zinc/90/13/95/885901395.db2.gz BECITECPNYFMRO-JOCHJYFZSA-N 2 2 393.579 3.508 20 0 GHADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000118834292 886278288 /nfs/dbraw/zinc/27/82/88/886278288.db2.gz KOHARPIBIQXSKM-RBUKOAKNSA-N 2 2 389.609 3.609 20 0 GHADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000118834292 886278308 /nfs/dbraw/zinc/27/83/08/886278308.db2.gz KOHARPIBIQXSKM-RBUKOAKNSA-N 2 2 389.609 3.609 20 0 GHADLP C[C@H](c1ccco1)[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000119246693 886554010 /nfs/dbraw/zinc/55/40/10/886554010.db2.gz BRMWJLBCBBHXHV-QGZVFWFLSA-N 2 2 399.560 3.993 20 0 GHADLP C[C@H](c1ccco1)[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000119246693 886554016 /nfs/dbraw/zinc/55/40/16/886554016.db2.gz BRMWJLBCBBHXHV-QGZVFWFLSA-N 2 2 399.560 3.993 20 0 GHADLP COc1cc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc(OC)c1OC ZINC000132170095 886714622 /nfs/dbraw/zinc/71/46/22/886714622.db2.gz PNPMJJPIAWTFLY-KRWDZBQOSA-N 2 2 395.503 3.851 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccccc3Cn3cccn3)CC2)cc1 ZINC000119271028 886873793 /nfs/dbraw/zinc/87/37/93/886873793.db2.gz PPQSKTUOSHPPCC-UHFFFAOYSA-N 2 2 389.547 3.756 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCC[C@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001184251146 913100245 /nfs/dbraw/zinc/10/02/45/913100245.db2.gz LFRHCBUYSZKIRK-OTWHNJEPSA-N 2 2 379.589 3.876 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCC[C@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001184251146 913100248 /nfs/dbraw/zinc/10/02/48/913100248.db2.gz LFRHCBUYSZKIRK-OTWHNJEPSA-N 2 2 379.589 3.876 20 0 GHADLP [NH3+][C@@H](CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000237889521 887004493 /nfs/dbraw/zinc/00/44/93/887004493.db2.gz CTSMDVGFJWVVHP-OALUTQOASA-N 2 2 389.902 3.822 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccccc2OCc2cccnc2)cn1 ZINC000048782535 887489359 /nfs/dbraw/zinc/48/93/59/887489359.db2.gz RLIOLNMYOCIIJW-UHFFFAOYSA-N 2 2 385.471 3.840 20 0 GHADLP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425203740 887549275 /nfs/dbraw/zinc/54/92/75/887549275.db2.gz FTAGWCCRAZONEJ-FQEVSTJZSA-N 2 2 394.494 3.661 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)[C@@H](O)c2ccc(Br)cc2)s1 ZINC000809641359 887645149 /nfs/dbraw/zinc/64/51/49/887645149.db2.gz YHTBFVZKNHIFAP-INIZCTEOSA-N 2 2 398.370 3.569 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nc3ccc(Br)cc3s2)C1 ZINC000809757518 887798654 /nfs/dbraw/zinc/79/86/54/887798654.db2.gz PGWXVDWRASVARX-NSHDSACASA-N 2 2 377.311 3.782 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3s2)C1 ZINC000809757518 887798673 /nfs/dbraw/zinc/79/86/73/887798673.db2.gz PGWXVDWRASVARX-NSHDSACASA-N 2 2 377.311 3.782 20 0 GHADLP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000809793273 887847838 /nfs/dbraw/zinc/84/78/38/887847838.db2.gz BISYKKWZYOHCEE-RBUKOAKNSA-N 2 2 391.462 3.778 20 0 GHADLP CN(C)c1ccc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)[nH+]c1 ZINC001170595268 888124178 /nfs/dbraw/zinc/12/41/78/888124178.db2.gz IYIXLNUWXKCKQZ-QHCPKHFHSA-N 2 2 390.531 3.623 20 0 GHADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000810171660 888233283 /nfs/dbraw/zinc/23/32/83/888233283.db2.gz PBDPBOWHQXFZBL-AWEZNQCLSA-N 2 2 390.318 3.917 20 0 GHADLP CC(C)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000459381716 888606416 /nfs/dbraw/zinc/60/64/16/888606416.db2.gz CWDFPVLBPICLKE-DEOSSOPVSA-N 3 2 378.564 3.723 20 0 GHADLP CC(C)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000459381716 888606423 /nfs/dbraw/zinc/60/64/23/888606423.db2.gz CWDFPVLBPICLKE-DEOSSOPVSA-N 3 2 378.564 3.723 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000810730132 888829533 /nfs/dbraw/zinc/82/95/33/888829533.db2.gz ASXKVZCWKLCDBK-SQGPQFPESA-N 2 2 399.913 3.553 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000810730132 888829544 /nfs/dbraw/zinc/82/95/44/888829544.db2.gz ASXKVZCWKLCDBK-SQGPQFPESA-N 2 2 399.913 3.553 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000810730132 888829562 /nfs/dbraw/zinc/82/95/62/888829562.db2.gz ASXKVZCWKLCDBK-SQGPQFPESA-N 2 2 399.913 3.553 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000810730132 888829575 /nfs/dbraw/zinc/82/95/75/888829575.db2.gz ASXKVZCWKLCDBK-SQGPQFPESA-N 2 2 399.913 3.553 20 0 GHADLP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000121053475 888869354 /nfs/dbraw/zinc/86/93/54/888869354.db2.gz QRPCVTVIJCYBNT-HXOBKFHXSA-N 2 2 385.527 3.962 20 0 GHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](Cc1ccccn1)c1cccnc1)C2 ZINC000532802823 888977056 /nfs/dbraw/zinc/97/70/56/888977056.db2.gz WXSCPRVEFPBVEV-UXHICEINSA-N 2 2 375.520 3.859 20 0 GHADLP OC[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1C(F)(F)F ZINC000532865652 889117377 /nfs/dbraw/zinc/11/73/77/889117377.db2.gz BVDMVYFTCLPLQP-KRWDZBQOSA-N 2 2 389.421 3.832 20 0 GHADLP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000868183354 889339351 /nfs/dbraw/zinc/33/93/51/889339351.db2.gz GHWPRHYARWBJRH-DXBBTUNJSA-N 2 2 387.487 3.748 20 0 GHADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C(=O)N(C)C)cc1 ZINC000644536610 913349664 /nfs/dbraw/zinc/34/96/64/913349664.db2.gz JQPMCQPVMINBEE-UWJYYQICSA-N 2 2 376.504 3.757 20 0 GHADLP CN(C(=O)c1cc2ccccc2o1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124602870 889691976 /nfs/dbraw/zinc/69/19/76/889691976.db2.gz XJFGURUZLZLWHI-UXHICEINSA-N 2 2 383.536 3.842 20 0 GHADLP CN(C(=O)c1cc2ccccc2o1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124602870 889691987 /nfs/dbraw/zinc/69/19/87/889691987.db2.gz XJFGURUZLZLWHI-UXHICEINSA-N 2 2 383.536 3.842 20 0 GHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)[C@H](C)C1 ZINC000533083917 889715884 /nfs/dbraw/zinc/71/58/84/889715884.db2.gz MGAHDQULFQOSSW-HJNYFJLDSA-N 2 2 397.567 3.613 20 0 GHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)[C@H](C)C1 ZINC000533083917 889715897 /nfs/dbraw/zinc/71/58/97/889715897.db2.gz MGAHDQULFQOSSW-HJNYFJLDSA-N 2 2 397.567 3.613 20 0 GHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)[C@@H](C)C1 ZINC000533083918 889716661 /nfs/dbraw/zinc/71/66/61/889716661.db2.gz MGAHDQULFQOSSW-NNWRFLSQSA-N 2 2 397.567 3.613 20 0 GHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)[C@@H](C)C1 ZINC000533083918 889716672 /nfs/dbraw/zinc/71/66/72/889716672.db2.gz MGAHDQULFQOSSW-NNWRFLSQSA-N 2 2 397.567 3.613 20 0 GHADLP CCc1oc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000124708399 889731896 /nfs/dbraw/zinc/73/18/96/889731896.db2.gz DGUIXTPDXUOVBU-MOPGFXCFSA-N 2 2 375.557 3.560 20 0 GHADLP CCc1oc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000124708399 889731904 /nfs/dbraw/zinc/73/19/04/889731904.db2.gz DGUIXTPDXUOVBU-MOPGFXCFSA-N 2 2 375.557 3.560 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[NH+]1CCSCC1 ZINC000124963792 889830239 /nfs/dbraw/zinc/83/02/39/889830239.db2.gz LKATZOBQICUUNV-KRWDZBQOSA-N 2 2 375.582 3.827 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[NH+]1CCSCC1 ZINC000124963792 889830245 /nfs/dbraw/zinc/83/02/45/889830245.db2.gz LKATZOBQICUUNV-KRWDZBQOSA-N 2 2 375.582 3.827 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CCCCC[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)C[C@H]1C ZINC000533447096 890607847 /nfs/dbraw/zinc/60/78/47/890607847.db2.gz ZFFLLBSSBDUVJL-ODAXIHTASA-N 4 2 380.665 3.766 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CCCCC[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)C[C@H]1C ZINC000533447096 890607854 /nfs/dbraw/zinc/60/78/54/890607854.db2.gz ZFFLLBSSBDUVJL-ODAXIHTASA-N 4 2 380.665 3.766 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CCCCC[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)C[C@H]1C ZINC000533447096 890607860 /nfs/dbraw/zinc/60/78/60/890607860.db2.gz ZFFLLBSSBDUVJL-ODAXIHTASA-N 4 2 380.665 3.766 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CCCCC[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)C[C@H]1C ZINC000533447096 890607864 /nfs/dbraw/zinc/60/78/64/890607864.db2.gz ZFFLLBSSBDUVJL-ODAXIHTASA-N 4 2 380.665 3.766 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000533484840 890694987 /nfs/dbraw/zinc/69/49/87/890694987.db2.gz XGWBELNGJMFOCM-SFHVURJKSA-N 2 2 388.515 3.883 20 0 GHADLP CCOC(=O)CCC[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531642 890769788 /nfs/dbraw/zinc/76/97/88/890769788.db2.gz AAESNHUFUPTSJF-UHFFFAOYSA-N 2 2 376.545 3.542 20 0 GHADLP CCOC(=O)CCC[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531642 890769797 /nfs/dbraw/zinc/76/97/97/890769797.db2.gz AAESNHUFUPTSJF-UHFFFAOYSA-N 2 2 376.545 3.542 20 0 GHADLP CCC[N@H+](Cc1csc(COC)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533519594 890784541 /nfs/dbraw/zinc/78/45/41/890784541.db2.gz IFZSUZMHGRJYKQ-UHFFFAOYSA-N 2 2 389.569 3.577 20 0 GHADLP CCC[N@@H+](Cc1csc(COC)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533519594 890784555 /nfs/dbraw/zinc/78/45/55/890784555.db2.gz IFZSUZMHGRJYKQ-UHFFFAOYSA-N 2 2 389.569 3.577 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812833154 891017425 /nfs/dbraw/zinc/01/74/25/891017425.db2.gz ATVUTJXMCRCURZ-FQEVSTJZSA-N 2 2 384.524 3.916 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812833154 891017438 /nfs/dbraw/zinc/01/74/38/891017438.db2.gz ATVUTJXMCRCURZ-FQEVSTJZSA-N 2 2 384.524 3.916 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H](O)c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000812841242 891028295 /nfs/dbraw/zinc/02/82/95/891028295.db2.gz NYQDDKYXQAEDGV-OAQYLSRUSA-N 2 2 391.918 3.837 20 0 GHADLP CN(C(=O)NCCC1CCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533664114 891072729 /nfs/dbraw/zinc/07/27/29/891072729.db2.gz INKMLKQNGNGAHU-RTWAWAEBSA-N 2 2 378.605 3.545 20 0 GHADLP CN(C(=O)NCCC1CCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533664114 891072741 /nfs/dbraw/zinc/07/27/41/891072741.db2.gz INKMLKQNGNGAHU-RTWAWAEBSA-N 2 2 378.605 3.545 20 0 GHADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)C[C@@H]1C(F)(F)F ZINC000872150578 891183774 /nfs/dbraw/zinc/18/37/74/891183774.db2.gz FRICEQVZHQUSLM-JSGCOSHPSA-N 2 2 388.231 3.566 20 0 GHADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)C[C@@H]1C(F)(F)F ZINC000872150578 891183782 /nfs/dbraw/zinc/18/37/82/891183782.db2.gz FRICEQVZHQUSLM-JSGCOSHPSA-N 2 2 388.231 3.566 20 0 GHADLP C[C@H](c1ncc(Br)cn1)[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156948 891185413 /nfs/dbraw/zinc/18/54/13/891185413.db2.gz MRJKZLXIQXQNLC-CPUCHLNUSA-N 2 2 381.362 3.920 20 0 GHADLP C[C@H](c1ncc(Br)cn1)[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156948 891185416 /nfs/dbraw/zinc/18/54/16/891185416.db2.gz MRJKZLXIQXQNLC-CPUCHLNUSA-N 2 2 381.362 3.920 20 0 GHADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455564061 891235430 /nfs/dbraw/zinc/23/54/30/891235430.db2.gz UPNWZFZVLCBTIG-NRFANRHFSA-N 2 2 380.536 3.752 20 0 GHADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455564061 891235448 /nfs/dbraw/zinc/23/54/48/891235448.db2.gz UPNWZFZVLCBTIG-NRFANRHFSA-N 2 2 380.536 3.752 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246998107 891329824 /nfs/dbraw/zinc/32/98/24/891329824.db2.gz WSSWFPYXBWUAOE-PIKOESSRSA-N 2 2 387.593 3.749 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246998107 891329841 /nfs/dbraw/zinc/32/98/41/891329841.db2.gz WSSWFPYXBWUAOE-PIKOESSRSA-N 2 2 387.593 3.749 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246998107 891329858 /nfs/dbraw/zinc/32/98/58/891329858.db2.gz WSSWFPYXBWUAOE-PIKOESSRSA-N 2 2 387.593 3.749 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246998107 891329877 /nfs/dbraw/zinc/32/98/77/891329877.db2.gz WSSWFPYXBWUAOE-PIKOESSRSA-N 2 2 387.593 3.749 20 0 GHADLP COc1cccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)C2)c1 ZINC000248164944 891414540 /nfs/dbraw/zinc/41/45/40/891414540.db2.gz SUSVWKZLUHJPTN-PTLVVNQVSA-N 2 2 394.563 3.559 20 0 GHADLP COc1cccc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)C2)c1 ZINC000248164944 891414548 /nfs/dbraw/zinc/41/45/48/891414548.db2.gz SUSVWKZLUHJPTN-PTLVVNQVSA-N 2 2 394.563 3.559 20 0 GHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497501675 891714319 /nfs/dbraw/zinc/71/43/19/891714319.db2.gz CKMKEMAVTJCBBL-SLFFLAALSA-N 2 2 389.902 3.819 20 0 GHADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497501675 891714335 /nfs/dbraw/zinc/71/43/35/891714335.db2.gz CKMKEMAVTJCBBL-SLFFLAALSA-N 2 2 389.902 3.819 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C[C@H]2[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000813787400 891971926 /nfs/dbraw/zinc/97/19/26/891971926.db2.gz FPYYXIXOUGQSIF-QGZVFWFLSA-N 2 2 388.537 3.813 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc(F)cc(F)c1 ZINC000162031153 892020590 /nfs/dbraw/zinc/02/05/90/892020590.db2.gz FXKQHHRRGNHNTB-MRXNPFEDSA-N 2 2 376.447 3.527 20 0 GHADLP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000162050082 892022977 /nfs/dbraw/zinc/02/29/77/892022977.db2.gz ZIPIBODDNBODTL-SBUREZEXSA-N 2 2 384.495 3.560 20 0 GHADLP O=c1oc2ccc(F)cc2n1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814224281 892417940 /nfs/dbraw/zinc/41/79/40/892417940.db2.gz COFSQIPBMLIXOM-UHFFFAOYSA-N 2 2 395.478 3.679 20 0 GHADLP O=c1oc2ccc(F)cc2n1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814224281 892417946 /nfs/dbraw/zinc/41/79/46/892417946.db2.gz COFSQIPBMLIXOM-UHFFFAOYSA-N 2 2 395.478 3.679 20 0 GHADLP O[C@H](C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000497817103 892492671 /nfs/dbraw/zinc/49/26/71/892492671.db2.gz LOIJACXMZSZJTH-DNQXCXABSA-N 2 2 380.507 3.770 20 0 GHADLP O[C@H](C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)C[N@H+]1CCc2ccccc2C1 ZINC000497817103 892492678 /nfs/dbraw/zinc/49/26/78/892492678.db2.gz LOIJACXMZSZJTH-DNQXCXABSA-N 2 2 380.507 3.770 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000288351206 913739134 /nfs/dbraw/zinc/73/91/34/913739134.db2.gz ZIGLQMPSOPLXNJ-WIYYLYMNSA-N 2 2 385.556 3.559 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696176 893332035 /nfs/dbraw/zinc/33/20/35/893332035.db2.gz HYQXEFSXUWHHMQ-DNQXCXABSA-N 2 2 398.639 3.785 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696176 893332053 /nfs/dbraw/zinc/33/20/53/893332053.db2.gz HYQXEFSXUWHHMQ-DNQXCXABSA-N 2 2 398.639 3.785 20 0 GHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696176 893332070 /nfs/dbraw/zinc/33/20/70/893332070.db2.gz HYQXEFSXUWHHMQ-DNQXCXABSA-N 2 2 398.639 3.785 20 0 GHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509696176 893332089 /nfs/dbraw/zinc/33/20/89/893332089.db2.gz HYQXEFSXUWHHMQ-DNQXCXABSA-N 2 2 398.639 3.785 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[NH+](CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556075989 893640062 /nfs/dbraw/zinc/64/00/62/893640062.db2.gz GYJJCDMFPHSMJB-PZUNEJSGSA-N 3 2 377.576 3.976 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[NH+](CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556075989 893640069 /nfs/dbraw/zinc/64/00/69/893640069.db2.gz GYJJCDMFPHSMJB-PZUNEJSGSA-N 3 2 377.576 3.976 20 0 GHADLP C[NH+]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556075989 893640075 /nfs/dbraw/zinc/64/00/75/893640075.db2.gz GYJJCDMFPHSMJB-PZUNEJSGSA-N 3 2 377.576 3.976 20 0 GHADLP C[NH+]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556075989 893640085 /nfs/dbraw/zinc/64/00/85/893640085.db2.gz GYJJCDMFPHSMJB-PZUNEJSGSA-N 3 2 377.576 3.976 20 0 GHADLP CCCN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CC[NH2+]CC1 ZINC000563481562 893793621 /nfs/dbraw/zinc/79/36/21/893793621.db2.gz RFTBTVIBVIRMKR-UHFFFAOYSA-N 2 2 379.508 3.598 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536836815 893910547 /nfs/dbraw/zinc/91/05/47/893910547.db2.gz CIJPUTHBZVNWQS-OXJNMPFZSA-N 2 2 378.451 3.858 20 0 GHADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000536851876 893936110 /nfs/dbraw/zinc/93/61/10/893936110.db2.gz NJKKCUVASJLZQU-JXFKEZNVSA-N 2 2 399.000 3.746 20 0 GHADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816554332 894939780 /nfs/dbraw/zinc/93/97/80/894939780.db2.gz VJVNLQLPYOAVSI-LPHOPBHVSA-N 2 2 384.524 3.549 20 0 GHADLP CCCC[N@H+](C)CC1CCN(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)CC1 ZINC000476045039 895045263 /nfs/dbraw/zinc/04/52/63/895045263.db2.gz YTDDILBYRXVFBW-UHFFFAOYSA-N 2 2 392.494 3.593 20 0 GHADLP CCCC[N@@H+](C)CC1CCN(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)CC1 ZINC000476045039 895045284 /nfs/dbraw/zinc/04/52/84/895045284.db2.gz YTDDILBYRXVFBW-UHFFFAOYSA-N 2 2 392.494 3.593 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000816841084 895101476 /nfs/dbraw/zinc/10/14/76/895101476.db2.gz PJUMULUQHARREA-UHFFFAOYSA-N 2 2 375.476 3.568 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000564934500 895313353 /nfs/dbraw/zinc/31/33/53/895313353.db2.gz NWCZMJJLJCYMCZ-ZJOUEHCJSA-N 2 2 389.902 3.821 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000564934500 895313369 /nfs/dbraw/zinc/31/33/69/895313369.db2.gz NWCZMJJLJCYMCZ-ZJOUEHCJSA-N 2 2 389.902 3.821 20 0 GHADLP C[C@H](c1cccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000565180154 895445641 /nfs/dbraw/zinc/44/56/41/895445641.db2.gz IRLCXAMVPGYSMH-DENIHFKCSA-N 2 2 393.531 3.540 20 0 GHADLP C[C@H](c1cccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000565180154 895445648 /nfs/dbraw/zinc/44/56/48/895445648.db2.gz IRLCXAMVPGYSMH-DENIHFKCSA-N 2 2 393.531 3.540 20 0 GHADLP O[C@@H](C[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1cccs1 ZINC000817274122 895456602 /nfs/dbraw/zinc/45/66/02/895456602.db2.gz CDGXZHXWWFSYID-RTWAWAEBSA-N 2 2 386.561 3.668 20 0 GHADLP O[C@@H](C[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1cccs1 ZINC000817274122 895456607 /nfs/dbraw/zinc/45/66/07/895456607.db2.gz CDGXZHXWWFSYID-RTWAWAEBSA-N 2 2 386.561 3.668 20 0 GHADLP Cc1ccccc1[C@@H](O)C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000817277059 895463413 /nfs/dbraw/zinc/46/34/13/895463413.db2.gz YELAZHBDWRHHSJ-VWLOTQADSA-N 2 2 394.559 3.773 20 0 GHADLP c1cn(C[C@H]([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)c2ccccc2)c[nH+]1 ZINC000880570939 895752656 /nfs/dbraw/zinc/75/26/56/895752656.db2.gz ZYWGBXBCDOFVJG-PKTZIBPZSA-N 2 2 377.488 3.972 20 0 GHADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)Sc1ccc(Br)cc1 ZINC000817897546 895952245 /nfs/dbraw/zinc/95/22/45/895952245.db2.gz RVLARPMLWLUSTO-DZGCQCFKSA-N 2 2 387.387 3.676 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)Sc1ccc(Br)cc1 ZINC000817897547 895952802 /nfs/dbraw/zinc/95/28/02/895952802.db2.gz RVLARPMLWLUSTO-HIFRSBDPSA-N 2 2 387.387 3.676 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000566573720 896385226 /nfs/dbraw/zinc/38/52/26/896385226.db2.gz ALMNWAHHTYXMGT-VJBMBRPKSA-N 2 2 380.532 3.679 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H](O)c3ccc(F)cc3Cl)CC2)cc1 ZINC000819108457 896415171 /nfs/dbraw/zinc/41/51/71/896415171.db2.gz FIXLTOWGZYNYLR-OAQYLSRUSA-N 2 2 391.918 3.837 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)C3CCCCC3)C2)s1 ZINC000566645820 896449615 /nfs/dbraw/zinc/44/96/15/896449615.db2.gz ATVPCWPKEPMFEY-OALUTQOASA-N 2 2 391.625 3.990 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)N(C)C3CCCCC3)C2)s1 ZINC000566645820 896449620 /nfs/dbraw/zinc/44/96/20/896449620.db2.gz ATVPCWPKEPMFEY-OALUTQOASA-N 2 2 391.625 3.990 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)N(C)C3CCCCC3)C2)s1 ZINC000566645820 896449624 /nfs/dbraw/zinc/44/96/24/896449624.db2.gz ATVPCWPKEPMFEY-OALUTQOASA-N 2 2 391.625 3.990 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)N(C)C3CCCCC3)C2)s1 ZINC000566645820 896449639 /nfs/dbraw/zinc/44/96/39/896449639.db2.gz ATVPCWPKEPMFEY-OALUTQOASA-N 2 2 391.625 3.990 20 0 GHADLP Fc1ccc(NC2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000566836645 896618849 /nfs/dbraw/zinc/61/88/49/896618849.db2.gz WHJBFLBXFHKBSU-DEOSSOPVSA-N 2 2 397.538 3.993 20 0 GHADLP Fc1ccc(NC2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000566836645 896618858 /nfs/dbraw/zinc/61/88/58/896618858.db2.gz WHJBFLBXFHKBSU-DEOSSOPVSA-N 2 2 397.538 3.993 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000567779743 897393591 /nfs/dbraw/zinc/39/35/91/897393591.db2.gz ZVKRZEBFSHSENK-BTYIYWSLSA-N 2 2 387.474 3.655 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000567779743 897393604 /nfs/dbraw/zinc/39/36/04/897393604.db2.gz ZVKRZEBFSHSENK-BTYIYWSLSA-N 2 2 387.474 3.655 20 0 GHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000883387979 897551614 /nfs/dbraw/zinc/55/16/14/897551614.db2.gz JQQVZBMTVZEPFK-UWJYYQICSA-N 2 2 375.476 3.505 20 0 GHADLP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)C2=O)cc1 ZINC000568304397 897726166 /nfs/dbraw/zinc/72/61/66/897726166.db2.gz MXWNHRWEBHZPNA-VABKMULXSA-N 2 2 377.532 3.521 20 0 GHADLP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)C2=O)cc1 ZINC000568304397 897726176 /nfs/dbraw/zinc/72/61/76/897726176.db2.gz MXWNHRWEBHZPNA-VABKMULXSA-N 2 2 377.532 3.521 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N([C@@H](C)C3CC3)C3CC3)C2)s1 ZINC000568563994 897936823 /nfs/dbraw/zinc/93/68/23/897936823.db2.gz JABSABIBZHDJBB-ROUUACIJSA-N 2 2 389.609 3.600 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N([C@@H](C)C3CC3)C3CC3)C2)s1 ZINC000568563994 897936829 /nfs/dbraw/zinc/93/68/29/897936829.db2.gz JABSABIBZHDJBB-ROUUACIJSA-N 2 2 389.609 3.600 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N([C@@H](C)C3CC3)C3CC3)C2)s1 ZINC000568563994 897936843 /nfs/dbraw/zinc/93/68/43/897936843.db2.gz JABSABIBZHDJBB-ROUUACIJSA-N 2 2 389.609 3.600 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N([C@@H](C)C3CC3)C3CC3)C2)s1 ZINC000568563994 897936852 /nfs/dbraw/zinc/93/68/52/897936852.db2.gz JABSABIBZHDJBB-ROUUACIJSA-N 2 2 389.609 3.600 20 0 GHADLP COCOc1ccc(OC)cc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282841897 898009777 /nfs/dbraw/zinc/00/97/77/898009777.db2.gz VSAUNFHWXCJWOG-KRWDZBQOSA-N 2 2 385.508 3.590 20 0 GHADLP COCOc1ccc(OC)cc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282841897 898009787 /nfs/dbraw/zinc/00/97/87/898009787.db2.gz VSAUNFHWXCJWOG-KRWDZBQOSA-N 2 2 385.508 3.590 20 0 GHADLP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000103311784 898084338 /nfs/dbraw/zinc/08/43/38/898084338.db2.gz LCPQBQLTNYCWPU-UHFFFAOYSA-N 2 2 395.551 3.806 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccnc(Cl)c3F)cc2)C[C@@H](C)O1 ZINC000823624648 899141189 /nfs/dbraw/zinc/14/11/89/899141189.db2.gz CDCCJFVXWDBZDG-HUUCEWRRSA-N 2 2 377.891 3.773 20 0 GHADLP COCCOCc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000289736174 914321164 /nfs/dbraw/zinc/32/11/64/914321164.db2.gz PEEQESUUPHPJRW-NRFANRHFSA-N 2 2 383.536 3.762 20 0 GHADLP COCCOCc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000289736174 914321172 /nfs/dbraw/zinc/32/11/72/914321172.db2.gz PEEQESUUPHPJRW-NRFANRHFSA-N 2 2 383.536 3.762 20 0 GHADLP C[C@H]1C[C@@H](C[NH2+]CCCCNc2cccc[nH+]2)CCN1C(=O)OC(C)(C)C ZINC000823781655 899247248 /nfs/dbraw/zinc/24/72/48/899247248.db2.gz FFGWWZHSZFSXOY-ROUUACIJSA-N 2 2 376.545 3.899 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc5c(cccc5Cl)[nH]4)C[C@H]3C2)cn1 ZINC001136860982 899542838 /nfs/dbraw/zinc/54/28/38/899542838.db2.gz KJAPEZBLIOIPGS-IAGOWNOFSA-N 2 2 383.927 3.509 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc5c(cccc5Cl)[nH]4)C[C@H]3C2)cn1 ZINC001136860982 899542841 /nfs/dbraw/zinc/54/28/41/899542841.db2.gz KJAPEZBLIOIPGS-IAGOWNOFSA-N 2 2 383.927 3.509 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc5c(cccc5Cl)[nH]4)C[C@H]3C2)cn1 ZINC001136860982 899542847 /nfs/dbraw/zinc/54/28/47/899542847.db2.gz KJAPEZBLIOIPGS-IAGOWNOFSA-N 2 2 383.927 3.509 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc5c(cccc5Cl)[nH]4)C[C@H]3C2)cn1 ZINC001136860982 899542851 /nfs/dbraw/zinc/54/28/51/899542851.db2.gz KJAPEZBLIOIPGS-IAGOWNOFSA-N 2 2 383.927 3.509 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1c1ccccc1 ZINC000824414393 899612119 /nfs/dbraw/zinc/61/21/19/899612119.db2.gz ACMKNEAQRFNWPZ-LQWHRVPQSA-N 2 2 396.535 3.997 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000824414417 899612328 /nfs/dbraw/zinc/61/23/28/899612328.db2.gz ALAXGZUPBQFPAU-PDOICOKGSA-N 2 2 388.556 3.815 20 0 GHADLP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000570836094 899628628 /nfs/dbraw/zinc/62/86/28/899628628.db2.gz COFXFUFDESWALN-FVQBIDKESA-N 2 2 398.391 3.991 20 0 GHADLP C[N@H+]1CCC[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000570836094 899628633 /nfs/dbraw/zinc/62/86/33/899628633.db2.gz COFXFUFDESWALN-FVQBIDKESA-N 2 2 398.391 3.991 20 0 GHADLP CC(C)(C)C[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC001171057734 899631089 /nfs/dbraw/zinc/63/10/89/899631089.db2.gz GGLSGBGNXOWJPV-IBGZPJMESA-N 2 2 386.584 3.657 20 0 GHADLP CC(C)(C)C[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC001171057734 899631098 /nfs/dbraw/zinc/63/10/98/899631098.db2.gz GGLSGBGNXOWJPV-IBGZPJMESA-N 2 2 386.584 3.657 20 0 GHADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333025323 899901265 /nfs/dbraw/zinc/90/12/65/899901265.db2.gz KOBDUPBTBMUDJN-RBUKOAKNSA-N 2 2 394.563 3.973 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccc(F)c(Cl)c1 ZINC000333066955 899935376 /nfs/dbraw/zinc/93/53/76/899935376.db2.gz UEDMIQCISBLZTK-UHFFFAOYSA-N 2 2 390.890 3.830 20 0 GHADLP O[C@H](Cc1ccccc1C(F)(F)F)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000572142094 900076752 /nfs/dbraw/zinc/07/67/52/900076752.db2.gz QTNSNAMGWUXIBO-QGZVFWFLSA-N 2 2 379.426 3.580 20 0 GHADLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC001143712274 900423712 /nfs/dbraw/zinc/42/37/12/900423712.db2.gz SMDOPHQBBQMCRG-UHFFFAOYSA-N 2 2 375.866 3.571 20 0 GHADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000844307065 900696254 /nfs/dbraw/zinc/69/62/54/900696254.db2.gz NMNLOVUNULMSOZ-UHFFFAOYSA-N 2 2 387.568 3.942 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[N@@H+]1C ZINC000093644979 901557943 /nfs/dbraw/zinc/55/79/43/901557943.db2.gz DRSOBQNOORJMNL-GCJKJVERSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[N@H+]1C ZINC000093644979 901557949 /nfs/dbraw/zinc/55/79/49/901557949.db2.gz DRSOBQNOORJMNL-GCJKJVERSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[NH+]1C ZINC000093644979 901557957 /nfs/dbraw/zinc/55/79/57/901557957.db2.gz DRSOBQNOORJMNL-GCJKJVERSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[NH+]1C ZINC000093644979 901557967 /nfs/dbraw/zinc/55/79/67/901557967.db2.gz DRSOBQNOORJMNL-GCJKJVERSA-N 2 2 375.520 3.849 20 0 GHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000093692942 901561988 /nfs/dbraw/zinc/56/19/88/901561988.db2.gz QESBFDQZIYZXPK-OAQYLSRUSA-N 2 2 383.536 3.833 20 0 GHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000093692942 901562002 /nfs/dbraw/zinc/56/20/02/901562002.db2.gz QESBFDQZIYZXPK-OAQYLSRUSA-N 2 2 383.536 3.833 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000778977768 902431024 /nfs/dbraw/zinc/43/10/24/902431024.db2.gz QCBDEKANCWTPTM-TZIWHRDSSA-N 2 2 390.478 3.590 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000778977768 902431030 /nfs/dbraw/zinc/43/10/30/902431030.db2.gz QCBDEKANCWTPTM-TZIWHRDSSA-N 2 2 390.478 3.590 20 0 GHADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000600999603 903207816 /nfs/dbraw/zinc/20/78/16/903207816.db2.gz YFQNLRMGSHOVCL-HSZRJFAPSA-N 2 2 388.515 3.699 20 0 GHADLP C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000600999603 903207829 /nfs/dbraw/zinc/20/78/29/903207829.db2.gz YFQNLRMGSHOVCL-HSZRJFAPSA-N 2 2 388.515 3.699 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000264983024 903532042 /nfs/dbraw/zinc/53/20/42/903532042.db2.gz IZLIMLYHGKSDCT-UHFFFAOYSA-N 2 2 381.524 3.757 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171359494 904346837 /nfs/dbraw/zinc/34/68/37/904346837.db2.gz DSESMNWQKWXFPR-WTIAFYNJSA-N 2 2 386.486 3.701 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171359494 904346845 /nfs/dbraw/zinc/34/68/45/904346845.db2.gz DSESMNWQKWXFPR-WTIAFYNJSA-N 2 2 386.486 3.701 20 0 GHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c2ccccc21 ZINC000579221191 904439898 /nfs/dbraw/zinc/43/98/98/904439898.db2.gz MDHCJVBFOUKLMY-ZMYBRWDISA-N 2 2 389.421 3.541 20 0 GHADLP CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000290774565 914816147 /nfs/dbraw/zinc/81/61/47/914816147.db2.gz BKNYWYFOPWMVCG-VXKWHMMOSA-N 2 2 386.584 3.614 20 0 GHADLP CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000290774565 914816161 /nfs/dbraw/zinc/81/61/61/914816161.db2.gz BKNYWYFOPWMVCG-VXKWHMMOSA-N 2 2 386.584 3.614 20 0 GHADLP Fc1ccc2cc(C[NH+]3CCN([C@H]4CC[N@H+](Cc5ccccc5)C4)CC3)[nH]c2c1 ZINC000579528938 904676062 /nfs/dbraw/zinc/67/60/62/904676062.db2.gz XTWDVXNSRPQMIH-QHCPKHFHSA-N 2 2 392.522 3.699 20 0 GHADLP Fc1ccc2cc(C[NH+]3CCN([C@H]4CC[N@@H+](Cc5ccccc5)C4)CC3)[nH]c2c1 ZINC000579528938 904676068 /nfs/dbraw/zinc/67/60/68/904676068.db2.gz XTWDVXNSRPQMIH-QHCPKHFHSA-N 2 2 392.522 3.699 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)NCC3CCCCC3)C2)s1 ZINC000579645828 904767471 /nfs/dbraw/zinc/76/74/71/904767471.db2.gz DIDZMJXARKLEOS-IBGZPJMESA-N 2 2 377.598 3.507 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)NCC3CCCCC3)C2)s1 ZINC000579645828 904767483 /nfs/dbraw/zinc/76/74/83/904767483.db2.gz DIDZMJXARKLEOS-IBGZPJMESA-N 2 2 377.598 3.507 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)NCC3CCCCC3)C2)s1 ZINC000579645828 904767494 /nfs/dbraw/zinc/76/74/94/904767494.db2.gz DIDZMJXARKLEOS-IBGZPJMESA-N 2 2 377.598 3.507 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)NCC3CCCCC3)C2)s1 ZINC000579645828 904767504 /nfs/dbraw/zinc/76/75/04/904767504.db2.gz DIDZMJXARKLEOS-IBGZPJMESA-N 2 2 377.598 3.507 20 0 GHADLP CC[N@H+](C[C@H](O)c1ccc(F)cc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108826 905043236 /nfs/dbraw/zinc/04/32/36/905043236.db2.gz HIMXPUJMKUOSBB-FQEVSTJZSA-N 2 2 375.463 3.632 20 0 GHADLP CC[N@@H+](C[C@H](O)c1ccc(F)cc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108826 905043249 /nfs/dbraw/zinc/04/32/49/905043249.db2.gz HIMXPUJMKUOSBB-FQEVSTJZSA-N 2 2 375.463 3.632 20 0 GHADLP O=C(OCc1ccccc1)N1CCC(C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000189583161 905185012 /nfs/dbraw/zinc/18/50/12/905185012.db2.gz ULYIANQFNKXZPP-UHFFFAOYSA-N 2 2 382.508 3.569 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001172075957 905286591 /nfs/dbraw/zinc/28/65/91/905286591.db2.gz ZCJVEFJOFSJBBG-ZBYYUNFXSA-N 3 2 396.579 3.702 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172075957 905286610 /nfs/dbraw/zinc/28/66/10/905286610.db2.gz ZCJVEFJOFSJBBG-ZBYYUNFXSA-N 3 2 396.579 3.702 20 0 GHADLP Cc1ccc(C[NH+]2CCOC3(CC[NH+]([C@H]4C[C@H]5CCC[C@@H](C4)[N@H+]5C)CC3)C2)cc1 ZINC001172117467 905372836 /nfs/dbraw/zinc/37/28/36/905372836.db2.gz QIVMHMLIENSPHL-UBRQYEGLSA-N 3 2 397.607 3.677 20 0 GHADLP Cc1ccc(C[NH+]2CCOC3(CC[NH+]([C@H]4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)CC3)C2)cc1 ZINC001172117467 905372848 /nfs/dbraw/zinc/37/28/48/905372848.db2.gz QIVMHMLIENSPHL-UBRQYEGLSA-N 3 2 397.607 3.677 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+]([C@H]4C[C@H]5CCC[C@@H](C4)[NH+]5C)CC3)C2)cc1 ZINC001172117467 905372864 /nfs/dbraw/zinc/37/28/64/905372864.db2.gz QIVMHMLIENSPHL-UBRQYEGLSA-N 3 2 397.607 3.677 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@H]4C[C@H]5CCC[C@@H](C4)[NH+]5C)CC3)C2)cc1 ZINC001172117467 905372879 /nfs/dbraw/zinc/37/28/79/905372879.db2.gz QIVMHMLIENSPHL-UBRQYEGLSA-N 3 2 397.607 3.677 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(Cc3cccc(Br)c3)CC1)C2 ZINC001172120296 905378358 /nfs/dbraw/zinc/37/83/58/905378358.db2.gz DQPCAGRVDFGYEB-ACDBMABISA-N 2 2 392.385 3.582 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(Cc3cccc(Br)c3)CC1)C2 ZINC001172120296 905378375 /nfs/dbraw/zinc/37/83/75/905378375.db2.gz DQPCAGRVDFGYEB-ACDBMABISA-N 2 2 392.385 3.582 20 0 GHADLP COc1cccc2cc(C[N@H+](C)C[C@]3(O)CC[NH+](Cc4ccccc4)C3)oc21 ZINC000779225228 905496398 /nfs/dbraw/zinc/49/63/98/905496398.db2.gz PUKFHUKSOUNBAA-HSZRJFAPSA-N 2 2 380.488 3.510 20 0 GHADLP COc1cccc2cc(C[N@@H+](C)C[C@]3(O)CC[NH+](Cc4ccccc4)C3)oc21 ZINC000779225228 905496405 /nfs/dbraw/zinc/49/64/05/905496405.db2.gz PUKFHUKSOUNBAA-HSZRJFAPSA-N 2 2 380.488 3.510 20 0 GHADLP COc1cccc2cc(C[NH+](C)C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)oc21 ZINC000779225228 905496414 /nfs/dbraw/zinc/49/64/14/905496414.db2.gz PUKFHUKSOUNBAA-HSZRJFAPSA-N 2 2 380.488 3.510 20 0 GHADLP COc1cccc2cc(C[NH+](C)C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)oc21 ZINC000779225228 905496420 /nfs/dbraw/zinc/49/64/20/905496420.db2.gz PUKFHUKSOUNBAA-HSZRJFAPSA-N 2 2 380.488 3.510 20 0 GHADLP COC(=O)[C@H]1CCC[C@H]([NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)C1 ZINC001172615958 905673449 /nfs/dbraw/zinc/67/34/49/905673449.db2.gz JUOANFPSMVHVJT-KXBFYZLASA-N 2 2 379.460 3.725 20 0 GHADLP CCCC[C@H]1C[C@@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001172627796 905733324 /nfs/dbraw/zinc/73/33/24/905733324.db2.gz QPDLAWPGKBYRMX-PMACEKPBSA-N 3 2 398.636 3.547 20 0 GHADLP CCCC[C@H]1C[C@@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001172627796 905733332 /nfs/dbraw/zinc/73/33/32/905733332.db2.gz QPDLAWPGKBYRMX-PMACEKPBSA-N 3 2 398.636 3.547 20 0 GHADLP Clc1ccc2c(c1)C[C@H](N(c1cccc[nH+]1)[C@@H]1COC3(C1)CC[NH2+]CC3)C2 ZINC001172718536 905768319 /nfs/dbraw/zinc/76/83/19/905768319.db2.gz RIZDYXANRZQUPL-UXHICEINSA-N 2 2 383.923 3.620 20 0 GHADLP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3Cc4ccc(Cl)cc4C3)CC2)c1 ZINC001172724448 905774375 /nfs/dbraw/zinc/77/43/75/905774375.db2.gz MSGPHXLXSAVNOZ-QFIPXVFZSA-N 2 2 398.934 3.848 20 0 GHADLP C[C@H]1CC[C@@H]([NH+]2CCC([NH+]3CCC(F)CC3)CC2)CN1C(=O)OC(C)(C)C ZINC001173066012 906145219 /nfs/dbraw/zinc/14/52/19/906145219.db2.gz OGEZACOBIUJEGJ-QFBILLFUSA-N 2 2 383.552 3.673 20 0 GHADLP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(-n4cc[nH+]c4C)c(F)c3)c(C)n2n1 ZINC000179407605 906495419 /nfs/dbraw/zinc/49/54/19/906495419.db2.gz AFQQSZBDWJJBFC-AWEZNQCLSA-N 2 2 378.455 3.830 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001173660419 906596516 /nfs/dbraw/zinc/59/65/16/906596516.db2.gz JQHJTQPJCUYSGM-FXAWDEMLSA-N 2 2 376.516 3.844 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001173660419 906596527 /nfs/dbraw/zinc/59/65/27/906596527.db2.gz JQHJTQPJCUYSGM-FXAWDEMLSA-N 2 2 376.516 3.844 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001173730394 906695434 /nfs/dbraw/zinc/69/54/34/906695434.db2.gz NQOWSCUEOZAGKS-IBGZPJMESA-N 2 2 392.543 3.927 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001173730394 906695443 /nfs/dbraw/zinc/69/54/43/906695443.db2.gz NQOWSCUEOZAGKS-IBGZPJMESA-N 2 2 392.543 3.927 20 0 GHADLP CCOc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000629653757 906931600 /nfs/dbraw/zinc/93/16/00/906931600.db2.gz GDSONCAKJIAAPA-OLZOCXBDSA-N 2 2 382.373 3.646 20 0 GHADLP CCOc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000629653757 906931606 /nfs/dbraw/zinc/93/16/06/906931606.db2.gz GDSONCAKJIAAPA-OLZOCXBDSA-N 2 2 382.373 3.646 20 0 GHADLP CC[NH+](CC)CCNC(=O)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001174524568 907089559 /nfs/dbraw/zinc/08/95/59/907089559.db2.gz ODDSBJCYYUANNH-UHFFFAOYSA-N 2 2 395.551 3.887 20 0 GHADLP C[NH+]1CCC(CNC(=O)CCc2ccc(C(F)F)cc2)([NH+]2CCCCC2)CC1 ZINC000631530870 907745038 /nfs/dbraw/zinc/74/50/38/907745038.db2.gz ZORZUYIXKIFVBG-UHFFFAOYSA-N 2 2 393.522 3.623 20 0 GHADLP CC[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc(OC)c1OC ZINC000631574936 907763889 /nfs/dbraw/zinc/76/38/89/907763889.db2.gz HCPIMGSAPPGSLD-FGZHOGPDSA-N 2 2 397.563 3.733 20 0 GHADLP CC(C)(C)OC(=O)NC1CCN(c2ccc(Nc3ccc(C[NH3+])cc3)c[nH+]2)CC1 ZINC001175967642 907843108 /nfs/dbraw/zinc/84/31/08/907843108.db2.gz SFZCHTATOISFBL-UHFFFAOYSA-N 2 2 397.523 3.777 20 0 GHADLP CC[C@@H](c1ccccc1)N(CC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000299481072 921363490 /nfs/dbraw/zinc/36/34/90/921363490.db2.gz DNJSKLUBGFHEHS-QFIPXVFZSA-N 2 2 386.584 3.728 20 0 GHADLP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001176977089 908344588 /nfs/dbraw/zinc/34/45/88/908344588.db2.gz IDWQHPVESCRLFP-CYBMUJFWSA-N 2 2 380.414 3.646 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(C(C)(C)O)cc3)CC2)c1 ZINC001177161581 908439453 /nfs/dbraw/zinc/43/94/53/908439453.db2.gz CHSLUPDHWOODBZ-UHFFFAOYSA-N 2 2 381.564 3.524 20 0 GHADLP CN(CC(=O)Nc1cccc2c1C[N@H+](C)C[C@H]2c1ccccc1)c1cccc[nH+]1 ZINC001177413832 908568733 /nfs/dbraw/zinc/56/87/33/908568733.db2.gz YJIZTCDSXOXYRN-FQEVSTJZSA-N 2 2 386.499 3.734 20 0 GHADLP CN(CC(=O)Nc1cccc2c1C[N@@H+](C)C[C@H]2c1ccccc1)c1cccc[nH+]1 ZINC001177413832 908568740 /nfs/dbraw/zinc/56/87/40/908568740.db2.gz YJIZTCDSXOXYRN-FQEVSTJZSA-N 2 2 386.499 3.734 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000192254160 908745110 /nfs/dbraw/zinc/74/51/10/908745110.db2.gz SRIJDSSIHNXQES-UHFFFAOYSA-N 2 2 396.579 3.986 20 0 GHADLP O[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(Br)c1 ZINC000801734427 921435893 /nfs/dbraw/zinc/43/58/93/921435893.db2.gz BIDPUWBREJOTFM-MRXNPFEDSA-N 2 2 378.295 3.520 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3c(F)cccc3N3CCCC3)[nH+]c2)C1 ZINC001178232258 908968920 /nfs/dbraw/zinc/96/89/20/908968920.db2.gz OESRYIWEIDLQFW-GOSISDBHSA-N 2 2 383.515 3.573 20 0 GHADLP Cc1cc(Oc2cc(Cl)ccc2C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)ccc1F ZINC001178425933 909054724 /nfs/dbraw/zinc/05/47/24/909054724.db2.gz MSZIXSWZNVSEMI-FQEVSTJZSA-N 2 2 378.875 3.736 20 0 GHADLP Cc1cc(Oc2cc(Cl)ccc2C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)ccc1F ZINC001178425933 909054739 /nfs/dbraw/zinc/05/47/39/909054739.db2.gz MSZIXSWZNVSEMI-FQEVSTJZSA-N 2 2 378.875 3.736 20 0 GHADLP Brc1ccccc1-c1nnc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000266711538 909271204 /nfs/dbraw/zinc/27/12/04/909271204.db2.gz FRXCLOQFEHTCJI-UHFFFAOYSA-N 2 2 388.269 3.602 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635575160 909292362 /nfs/dbraw/zinc/29/23/62/909292362.db2.gz PZCSFWGPFGSTTF-QAPCUYQASA-N 2 2 394.441 3.718 20 0 GHADLP Brc1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000266949944 909347467 /nfs/dbraw/zinc/34/74/67/909347467.db2.gz UBCFWQVFFMRMQN-GFCCVEGCSA-N 2 2 388.269 3.602 20 0 GHADLP Brc1ccccc1-c1nnc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000266949944 909347480 /nfs/dbraw/zinc/34/74/80/909347480.db2.gz UBCFWQVFFMRMQN-GFCCVEGCSA-N 2 2 388.269 3.602 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000809994988 921501667 /nfs/dbraw/zinc/50/16/67/921501667.db2.gz JCAHRCREFPNXNV-GOSISDBHSA-N 2 2 391.309 3.729 20 0 GHADLP Cc1nc2ccccn2c1C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001179759271 909718391 /nfs/dbraw/zinc/71/83/91/909718391.db2.gz XWSWTGBJVPJVSN-UHFFFAOYSA-N 2 2 395.894 3.861 20 0 GHADLP CC[N@H+](Cc1c[nH]c2ncncc12)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000638076868 910046813 /nfs/dbraw/zinc/04/68/13/910046813.db2.gz OONHXSXTAUXLFQ-UHFFFAOYSA-N 2 2 393.539 3.622 20 0 GHADLP CC[N@@H+](Cc1c[nH]c2ncncc12)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000638076868 910046825 /nfs/dbraw/zinc/04/68/25/910046825.db2.gz OONHXSXTAUXLFQ-UHFFFAOYSA-N 2 2 393.539 3.622 20 0 GHADLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1)c1ccc(Cl)cc1 ZINC001274453508 910059477 /nfs/dbraw/zinc/05/94/77/910059477.db2.gz ABCBKCZAFNFOBE-ZCNNSNEGSA-N 2 2 375.944 3.561 20 0 GHADLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1)c1ccc(Cl)cc1 ZINC001274453508 910059485 /nfs/dbraw/zinc/05/94/85/910059485.db2.gz ABCBKCZAFNFOBE-ZCNNSNEGSA-N 2 2 375.944 3.561 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)c2ccc(F)cc2)cc1 ZINC000638426680 910150348 /nfs/dbraw/zinc/15/03/48/910150348.db2.gz VPKIGCHKCVIFSZ-JOCHJYFZSA-N 2 2 386.511 3.749 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001180788681 910341621 /nfs/dbraw/zinc/34/16/21/910341621.db2.gz YIAOYUYHFGVYRA-CQSZACIVSA-N 2 2 379.961 3.585 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001180788681 910341630 /nfs/dbraw/zinc/34/16/30/910341630.db2.gz YIAOYUYHFGVYRA-CQSZACIVSA-N 2 2 379.961 3.585 20 0 GHADLP CCN(c1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1)C(C)C ZINC000246533675 910359568 /nfs/dbraw/zinc/35/95/68/910359568.db2.gz JYHZRLOHSTWXFX-RXVVDRJESA-N 2 2 383.540 3.639 20 0 GHADLP CCN(c1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1)C(C)C ZINC000246533675 910359576 /nfs/dbraw/zinc/35/95/76/910359576.db2.gz JYHZRLOHSTWXFX-RXVVDRJESA-N 2 2 383.540 3.639 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3csc(Nc4ccccc4)n3)CC2)CC1 ZINC000270965484 910742381 /nfs/dbraw/zinc/74/23/81/910742381.db2.gz VOHWNQGZELIOKT-UHFFFAOYSA-N 2 2 399.608 3.877 20 0 GHADLP COc1ccc([C@H]([NH2+]CCC[NH+](C)C)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000774112696 911399171 /nfs/dbraw/zinc/39/91/71/911399171.db2.gz SLKHVPLEQSVKHI-PMACEKPBSA-N 2 2 391.556 3.677 20 0 GHADLP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000284277472 911811170 /nfs/dbraw/zinc/81/11/70/911811170.db2.gz XFWHGJNXUKYTPB-LJQANCHMSA-N 2 2 382.508 3.917 20 0 GHADLP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001183030723 912206423 /nfs/dbraw/zinc/20/64/23/912206423.db2.gz PZTDYTHNNKBGRO-HTAPYJJXSA-N 2 2 392.503 3.797 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C[C@H]1C(=O)Nc1c[nH+]ccc1N(C)C ZINC001187027987 914955720 /nfs/dbraw/zinc/95/57/20/914955720.db2.gz DJEGBIBQXXKFRW-BEFAXECRSA-N 2 2 388.462 3.947 20 0 GHADLP C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C[C@H]1C(=O)Nc1c[nH+]ccc1N(C)C ZINC001187027987 914955730 /nfs/dbraw/zinc/95/57/30/914955730.db2.gz DJEGBIBQXXKFRW-BEFAXECRSA-N 2 2 388.462 3.947 20 0 GHADLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(Br)c1 ZINC000647249332 915107951 /nfs/dbraw/zinc/10/79/51/915107951.db2.gz SBAROOCXRBEZPY-MJGOQNOKSA-N 2 2 389.337 3.893 20 0 GHADLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(Br)c1 ZINC000647249332 915107961 /nfs/dbraw/zinc/10/79/61/915107961.db2.gz SBAROOCXRBEZPY-MJGOQNOKSA-N 2 2 389.337 3.893 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3c(Cl)cc(Cl)cc3Cl)C2)CC1 ZINC000648316118 915615635 /nfs/dbraw/zinc/61/56/35/915615635.db2.gz GBAXCQDKOONDSK-GFCCVEGCSA-N 2 2 390.742 3.545 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3c(Cl)cc(Cl)cc3Cl)C2)CC1 ZINC000648316118 915615645 /nfs/dbraw/zinc/61/56/45/915615645.db2.gz GBAXCQDKOONDSK-GFCCVEGCSA-N 2 2 390.742 3.545 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3c(Cl)cc(Cl)cc3Cl)C2)CC1 ZINC000648316119 915616077 /nfs/dbraw/zinc/61/60/77/915616077.db2.gz GBAXCQDKOONDSK-LBPRGKRZSA-N 2 2 390.742 3.545 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3c(Cl)cc(Cl)cc3Cl)C2)CC1 ZINC000648316119 915616087 /nfs/dbraw/zinc/61/60/87/915616087.db2.gz GBAXCQDKOONDSK-LBPRGKRZSA-N 2 2 390.742 3.545 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000648758397 915867267 /nfs/dbraw/zinc/86/72/67/915867267.db2.gz SDPCPUIGAZYGSG-QGZVFWFLSA-N 2 2 386.565 3.893 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)CCCC1)c1ccccc1 ZINC000293936316 916480928 /nfs/dbraw/zinc/48/09/28/916480928.db2.gz YGZOGFUVHVJFAN-JSOIOWGOSA-N 2 2 392.609 3.843 20 0 GHADLP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000650417509 916973286 /nfs/dbraw/zinc/97/32/86/916973286.db2.gz KGXMQGBEESKAQJ-IBGZPJMESA-N 2 2 399.564 3.940 20 0 GHADLP CCCN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000651224130 917530219 /nfs/dbraw/zinc/53/02/19/917530219.db2.gz HYRMBGLGBFFRGS-JOCHJYFZSA-N 2 2 394.563 3.665 20 0 GHADLP CCCN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000651224130 917530229 /nfs/dbraw/zinc/53/02/29/917530229.db2.gz HYRMBGLGBFFRGS-JOCHJYFZSA-N 2 2 394.563 3.665 20 0 GHADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000509459296 918299793 /nfs/dbraw/zinc/29/97/93/918299793.db2.gz KEVPUBCMTNNMHS-LJQANCHMSA-N 2 2 377.326 3.518 20 0 GHADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000364736387 919926232 /nfs/dbraw/zinc/92/62/32/919926232.db2.gz XBJRPJSUUGAHQZ-OAQYLSRUSA-N 2 2 390.466 3.833 20 0 GHADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000367122091 921931980 /nfs/dbraw/zinc/93/19/80/921931980.db2.gz WTIOLDBFUSNIKM-LEWJYISDSA-N 2 2 379.504 3.822 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc(C4CCCCC4)cs3)C2)CC1 ZINC000368437429 922673891 /nfs/dbraw/zinc/67/38/91/922673891.db2.gz FRWKCBDSXLPIAL-LJQANCHMSA-N 2 2 376.614 3.791 20 0 GHADLP Cc1cc(Br)cn2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)nc12 ZINC000903154227 922814930 /nfs/dbraw/zinc/81/49/30/922814930.db2.gz UQTUEBRBLGVAPF-DODVFSASSA-N 2 2 389.341 3.653 20 0 GHADLP Cc1cc(Br)cn2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)nc12 ZINC000903154227 922814933 /nfs/dbraw/zinc/81/49/33/922814933.db2.gz UQTUEBRBLGVAPF-DODVFSASSA-N 2 2 389.341 3.653 20 0 GHADLP CC[N@H+](C[C@H](O)CC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000368958525 923011486 /nfs/dbraw/zinc/01/14/86/923011486.db2.gz LNGSBBCGQWSGPF-MRXNPFEDSA-N 2 2 388.478 3.512 20 0 GHADLP CC[N@@H+](C[C@H](O)CC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000368958525 923011502 /nfs/dbraw/zinc/01/15/02/923011502.db2.gz LNGSBBCGQWSGPF-MRXNPFEDSA-N 2 2 388.478 3.512 20 0 GHADLP Cc1sc2nc(C[NH+]3CCC(C[NH3+])(c4ccccc4)CC3)[nH]c(=O)c2c1C ZINC000903793853 923299253 /nfs/dbraw/zinc/29/92/53/923299253.db2.gz VWPPDWSJBMSUMD-UHFFFAOYSA-N 2 2 382.533 3.506 20 0 GHADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956197 923435068 /nfs/dbraw/zinc/43/50/68/923435068.db2.gz IQABLKYXJZHFDP-SFHVURJKSA-N 2 2 376.495 3.563 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1)c1ccccc1Cl ZINC000903955761 923435123 /nfs/dbraw/zinc/43/51/23/923435123.db2.gz BCLNIZHYLZBRSZ-OAHLLOKOSA-N 2 2 393.865 3.927 20 0 GHADLP CN(C(=O)c1cc2c(ccc3ccccc23)[nH]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370839086 924323070 /nfs/dbraw/zinc/32/30/70/924323070.db2.gz HIEGZUHAKVIUMC-IBGZPJMESA-N 2 2 390.531 3.562 20 0 GHADLP CN(C(=O)c1cc2c(ccc3ccccc23)[nH]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370839086 924323074 /nfs/dbraw/zinc/32/30/74/924323074.db2.gz HIEGZUHAKVIUMC-IBGZPJMESA-N 2 2 390.531 3.562 20 0 GHADLP O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000371474410 924601312 /nfs/dbraw/zinc/60/13/12/924601312.db2.gz ZOBKKXJEPXHCEI-UHFFFAOYSA-N 2 2 381.307 3.931 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000678791317 924924165 /nfs/dbraw/zinc/92/41/65/924924165.db2.gz SSNJIMBFYCCCJI-CYFREDJKSA-N 2 2 375.516 3.892 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000678791317 924924172 /nfs/dbraw/zinc/92/41/72/924924172.db2.gz SSNJIMBFYCCCJI-CYFREDJKSA-N 2 2 375.516 3.892 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccc(NC(C)=O)cc1 ZINC000678997346 924993419 /nfs/dbraw/zinc/99/34/19/924993419.db2.gz ALADURQGIPYCIR-UHFFFAOYSA-N 2 2 379.508 3.949 20 0 GHADLP CN(C(=O)[C@@H]1CCCC(F)(F)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000409960750 925185702 /nfs/dbraw/zinc/18/57/02/925185702.db2.gz YASXXXLFXKWZIR-BHIYHBOVSA-N 2 2 385.543 3.608 20 0 GHADLP CN(C(=O)[C@@H]1CCCC(F)(F)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000409960750 925185707 /nfs/dbraw/zinc/18/57/07/925185707.db2.gz YASXXXLFXKWZIR-BHIYHBOVSA-N 2 2 385.543 3.608 20 0 GHADLP Brc1ccc2c(C3C[NH+](Cc4c[nH]c5ncccc45)C3)[nH+]cn2c1 ZINC001137404060 925429345 /nfs/dbraw/zinc/42/93/45/925429345.db2.gz ALRFKBYJBQLMOO-UHFFFAOYSA-N 2 2 382.265 3.573 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCCNc3cccc[nH+]3)cc2)C1 ZINC000410366880 925573382 /nfs/dbraw/zinc/57/33/82/925573382.db2.gz RZKYYSHYCUGIAP-LJQANCHMSA-N 2 2 395.551 3.615 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCCNc3cccc[nH+]3)cc2)C1 ZINC000410366880 925573389 /nfs/dbraw/zinc/57/33/89/925573389.db2.gz RZKYYSHYCUGIAP-LJQANCHMSA-N 2 2 395.551 3.615 20 0 GHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc([S@](C)=O)cc1 ZINC000373524008 926217871 /nfs/dbraw/zinc/21/78/71/926217871.db2.gz XDNOXBUETULUNI-QZDYLNCVSA-N 2 2 388.499 3.880 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000382527801 926353892 /nfs/dbraw/zinc/35/38/92/926353892.db2.gz IAIFBDNCKXHVOW-GBESFXJTSA-N 2 2 376.545 3.821 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ncco3)cc2F)[C@H](C)C1 ZINC000411549402 926512265 /nfs/dbraw/zinc/51/22/65/926512265.db2.gz GPBPKPCQVVMFFM-OXQOHEQNSA-N 2 2 375.488 3.707 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ncco3)cc2F)[C@H](C)C1 ZINC000411549402 926512270 /nfs/dbraw/zinc/51/22/70/926512270.db2.gz GPBPKPCQVVMFFM-OXQOHEQNSA-N 2 2 375.488 3.707 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1=S ZINC000749800193 927280188 /nfs/dbraw/zinc/28/01/88/927280188.db2.gz QMQACUUADUXSPT-BZSNNMDCSA-N 2 2 395.617 3.543 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1=S ZINC000749800193 927280200 /nfs/dbraw/zinc/28/02/00/927280200.db2.gz QMQACUUADUXSPT-BZSNNMDCSA-N 2 2 395.617 3.543 20 0 GHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000375417287 928281746 /nfs/dbraw/zinc/28/17/46/928281746.db2.gz UDICCWNUACJELQ-SFHVURJKSA-N 2 2 396.453 3.697 20 0 GHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000375417287 928281751 /nfs/dbraw/zinc/28/17/51/928281751.db2.gz UDICCWNUACJELQ-SFHVURJKSA-N 2 2 396.453 3.697 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2ccc(SC3CC3)cc2)([NH+]2CCCCC2)CC1 ZINC000544003100 928675084 /nfs/dbraw/zinc/67/50/84/928675084.db2.gz UMTSBWJDBNXAAM-UHFFFAOYSA-N 2 2 387.593 3.621 20 0 GHADLP O=C(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000467133733 928739568 /nfs/dbraw/zinc/73/95/68/928739568.db2.gz MOJMGRMKOXOTCY-OAQYLSRUSA-N 2 2 394.544 3.947 20 0 GHADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000467392977 929029939 /nfs/dbraw/zinc/02/99/39/929029939.db2.gz XVIZJTDELHYXMG-SIKLNZKXSA-N 2 2 384.495 3.702 20 0 GHADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000467392977 929029949 /nfs/dbraw/zinc/02/99/49/929029949.db2.gz XVIZJTDELHYXMG-SIKLNZKXSA-N 2 2 384.495 3.702 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1CO)CCS2 ZINC000467407899 929041675 /nfs/dbraw/zinc/04/16/75/929041675.db2.gz PDPPDDSMZVZCPQ-STZQEDGTSA-N 2 2 398.572 3.705 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1CO)CCS2 ZINC000467407899 929041687 /nfs/dbraw/zinc/04/16/87/929041687.db2.gz PDPPDDSMZVZCPQ-STZQEDGTSA-N 2 2 398.572 3.705 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2cc3cccc(Cl)c3o2)([NH+]2CCCCC2)CC1 ZINC000753232847 929264213 /nfs/dbraw/zinc/26/42/13/929264213.db2.gz HROMAMICOILFEY-UHFFFAOYSA-N 2 2 389.927 3.766 20 0 GHADLP Cc1cccn2cc(Cc3noc([C@@H]4CCC[N@H+](Cc5ccccc5)C4)n3)[nH+]c12 ZINC000544680182 929434580 /nfs/dbraw/zinc/43/45/80/929434580.db2.gz MOUBKOFADGMQML-LJQANCHMSA-N 2 2 387.487 3.996 20 0 GHADLP Cc1cccn2cc(Cc3noc([C@@H]4CCC[N@@H+](Cc5ccccc5)C4)n3)[nH+]c12 ZINC000544680182 929434584 /nfs/dbraw/zinc/43/45/84/929434584.db2.gz MOUBKOFADGMQML-LJQANCHMSA-N 2 2 387.487 3.996 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000469764600 930146306 /nfs/dbraw/zinc/14/63/06/930146306.db2.gz OUVPYWLITNVIFZ-QRWLVFNGSA-N 2 2 380.879 3.982 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccc(F)cc3)no2)[C@@H](C)C1 ZINC000469766566 930147113 /nfs/dbraw/zinc/14/71/13/930147113.db2.gz CLMBCVAQAJNLJE-OXJNMPFZSA-N 2 2 375.488 3.707 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccc(F)cc3)no2)[C@@H](C)C1 ZINC000469766566 930147120 /nfs/dbraw/zinc/14/71/20/930147120.db2.gz CLMBCVAQAJNLJE-OXJNMPFZSA-N 2 2 375.488 3.707 20 0 GHADLP CCOc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc(Br)c1OC(F)F ZINC000469852573 930207147 /nfs/dbraw/zinc/20/71/47/930207147.db2.gz HGSBMHFOHXWQIB-JQWIXIFHSA-N 2 2 393.272 3.618 20 0 GHADLP CCOc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc(Br)c1OC(F)F ZINC000469852573 930207152 /nfs/dbraw/zinc/20/71/52/930207152.db2.gz HGSBMHFOHXWQIB-JQWIXIFHSA-N 2 2 393.272 3.618 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000758922563 930213827 /nfs/dbraw/zinc/21/38/27/930213827.db2.gz RTXKHYMTQLSUPC-UHFFFAOYSA-N 2 2 389.588 3.664 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CCN(CCC(F)(F)F)CC3)CC2)cc1 ZINC000780726951 930586602 /nfs/dbraw/zinc/58/66/02/930586602.db2.gz ZNDSHZZNNCWTFE-UHFFFAOYSA-N 2 2 398.517 3.728 20 0 GHADLP CSc1ccccc1C[N@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000471031281 931106564 /nfs/dbraw/zinc/10/65/64/931106564.db2.gz WVKZMRIMBLMBLV-NQIIRXRSSA-N 2 2 397.588 3.620 20 0 GHADLP CSc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000471031281 931106570 /nfs/dbraw/zinc/10/65/70/931106570.db2.gz WVKZMRIMBLMBLV-NQIIRXRSSA-N 2 2 397.588 3.620 20 0 GHADLP CSc1ccccc1C[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471031281 931106577 /nfs/dbraw/zinc/10/65/77/931106577.db2.gz WVKZMRIMBLMBLV-NQIIRXRSSA-N 2 2 397.588 3.620 20 0 GHADLP CSc1ccccc1C[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471031281 931106580 /nfs/dbraw/zinc/10/65/80/931106580.db2.gz WVKZMRIMBLMBLV-NQIIRXRSSA-N 2 2 397.588 3.620 20 0 GHADLP CC(C)[C@@H](C[NH2+][C@H](c1ccc(Cl)cc1)c1ccccn1)N1CC[NH+](C)CC1 ZINC000924630266 931455512 /nfs/dbraw/zinc/45/55/12/931455512.db2.gz AEYUWIMIJFPQJZ-FGZHOGPDSA-N 2 2 386.971 3.686 20 0 GHADLP C[NH+]1CCN(CCCC[NH2+][C@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924657538 931465450 /nfs/dbraw/zinc/46/54/50/931465450.db2.gz HCOYMHYDMKNODS-QHCPKHFHSA-N 2 2 378.520 3.534 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(Br)n1 ZINC000924708552 931481787 /nfs/dbraw/zinc/48/17/87/931481787.db2.gz ZMDQBBJMTWZORV-HNNXBMFYSA-N 2 2 390.325 3.527 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2cn(C(C)C)nn2)CC1 ZINC000924958919 931595178 /nfs/dbraw/zinc/59/51/78/931595178.db2.gz BFSSJLNTFXXNDO-IAGOWNOFSA-N 2 2 388.535 3.552 20 0 GHADLP CN(C(=O)CC1CCC(F)(F)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000626261696 931795717 /nfs/dbraw/zinc/79/57/17/931795717.db2.gz HMAFDJGAKIZRLN-PMACEKPBSA-N 2 2 399.570 3.998 20 0 GHADLP CN(C(=O)CC1CCC(F)(F)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000626261696 931795720 /nfs/dbraw/zinc/79/57/20/931795720.db2.gz HMAFDJGAKIZRLN-PMACEKPBSA-N 2 2 399.570 3.998 20 0 GHADLP Cc1[nH+]cc(CNc2cccc3c2CC[N@H+](CC(C)(C)O)C3)n1-c1ccccc1 ZINC000784637328 931965741 /nfs/dbraw/zinc/96/57/41/931965741.db2.gz DZXDRRXNINFURL-UHFFFAOYSA-N 2 2 390.531 3.922 20 0 GHADLP Cc1[nH+]cc(CNc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)n1-c1ccccc1 ZINC000784637328 931965747 /nfs/dbraw/zinc/96/57/47/931965747.db2.gz DZXDRRXNINFURL-UHFFFAOYSA-N 2 2 390.531 3.922 20 0 GHADLP CCc1nc2c(s1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCN(C)CC3)c1)CCC2 ZINC001116289784 933460147 /nfs/dbraw/zinc/46/01/47/933460147.db2.gz WEZBLQLXEUQRIK-IBGZPJMESA-N 2 2 384.593 3.620 20 0 GHADLP C[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(F)c(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000560892778 933658965 /nfs/dbraw/zinc/65/89/65/933658965.db2.gz OHAXOCRYNXOBJW-GOEBONIOSA-N 2 2 391.437 3.685 20 0 GHADLP C[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(F)c(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000560892778 933658969 /nfs/dbraw/zinc/65/89/69/933658969.db2.gz OHAXOCRYNXOBJW-GOEBONIOSA-N 2 2 391.437 3.685 20 0 GHADLP C[NH+](C/C=C/C[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1)Cc1cc(C(C)(C)C)n[nH]1 ZINC001118580290 934203529 /nfs/dbraw/zinc/20/35/29/934203529.db2.gz JOUHTSUHEBIFCF-MDZDMXLPSA-N 2 2 386.588 3.848 20 0 GHADLP C[NH+](C/C=C/C[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1)Cc1cc(C(C)(C)C)n[nH]1 ZINC001118580290 934203532 /nfs/dbraw/zinc/20/35/32/934203532.db2.gz JOUHTSUHEBIFCF-MDZDMXLPSA-N 2 2 386.588 3.848 20 0 GHADLP c1ccc(-c2nc3ccccn3c2C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931291216 934485147 /nfs/dbraw/zinc/48/51/47/934485147.db2.gz NZGUJARDSQMAMB-UHFFFAOYSA-N 2 2 390.531 3.688 20 0 GHADLP c1ccc(-c2nc3ccccn3c2C[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931291216 934485152 /nfs/dbraw/zinc/48/51/52/934485152.db2.gz NZGUJARDSQMAMB-UHFFFAOYSA-N 2 2 390.531 3.688 20 0 GHADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1cc3ccccc3s1)CCC2 ZINC001137684626 935711924 /nfs/dbraw/zinc/71/19/24/935711924.db2.gz WINGUMIDYUJDQQ-UHFFFAOYSA-N 2 2 396.560 3.706 20 0 GHADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](Cc1cc3ccccc3s1)CCC2 ZINC001137684626 935711929 /nfs/dbraw/zinc/71/19/29/935711929.db2.gz WINGUMIDYUJDQQ-UHFFFAOYSA-N 2 2 396.560 3.706 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2-c2nn[nH]n2)C1 ZINC001573893860 950908374 /nfs/dbraw/zinc/90/83/74/950908374.db2.gz ZRKCUEOAPYMQEC-HNNXBMFYSA-N 2 2 399.930 3.851 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2-c2nn[nH]n2)C1 ZINC001573893860 950908390 /nfs/dbraw/zinc/90/83/90/950908390.db2.gz ZRKCUEOAPYMQEC-HNNXBMFYSA-N 2 2 399.930 3.851 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ccccc1Cl ZINC000468136996 1015319273 /nfs/dbraw/zinc/31/92/73/1015319273.db2.gz BRMMVEATWKIJNR-NRFANRHFSA-N 2 2 394.906 3.933 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000545204714 1015650997 /nfs/dbraw/zinc/65/09/97/1015650997.db2.gz HJNSONAFLSHSQU-HNNXBMFYSA-N 2 2 386.458 3.644 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(OC)c3)cc2)CC1 ZINC000545205867 1015652211 /nfs/dbraw/zinc/65/22/11/1015652211.db2.gz JKMSQXFCSNBLMM-UHFFFAOYSA-N 2 2 396.531 3.869 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)C[N@H+](Cc2ccccc2)C1 ZINC000468434570 1015704109 /nfs/dbraw/zinc/70/41/09/1015704109.db2.gz HYNKWFPAEJGZOI-KNQAVFIVSA-N 2 2 383.580 3.668 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000468434570 1015704114 /nfs/dbraw/zinc/70/41/14/1015704114.db2.gz HYNKWFPAEJGZOI-KNQAVFIVSA-N 2 2 383.580 3.668 20 0 GHADLP Cc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c(-n2cc(Cl)cn2)n1 ZINC000468609789 1015841919 /nfs/dbraw/zinc/84/19/19/1015841919.db2.gz IOWLQTJZMVUNQO-UHFFFAOYSA-N 2 2 384.896 3.766 20 0 GHADLP C[C@H](Cn1cc(Br)cn1)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000469087039 1016447823 /nfs/dbraw/zinc/44/78/23/1016447823.db2.gz VUPNPXUNVUMVER-CABCVRRESA-N 2 2 379.346 3.753 20 0 GHADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000686215702 1018920175 /nfs/dbraw/zinc/92/01/75/1018920175.db2.gz NDWBGIVIQGXOQG-XLIONFOSSA-N 2 2 375.557 3.915 20 0 GHADLP COc1cc2c(cc1C[N@H+](C)[C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)OCO2 ZINC000570372516 1019595102 /nfs/dbraw/zinc/59/51/02/1019595102.db2.gz COVSAKYKJYQDEG-XLIONFOSSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc2c(cc1C[N@@H+](C)[C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)OCO2 ZINC000570372516 1019595117 /nfs/dbraw/zinc/59/51/17/1019595117.db2.gz COVSAKYKJYQDEG-XLIONFOSSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc2c(cc1C[NH+](C)[C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)OCO2 ZINC000570372516 1019595132 /nfs/dbraw/zinc/59/51/32/1019595132.db2.gz COVSAKYKJYQDEG-XLIONFOSSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc2c(cc1C[NH+](C)[C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)OCO2 ZINC000570372516 1019595145 /nfs/dbraw/zinc/59/51/45/1019595145.db2.gz COVSAKYKJYQDEG-XLIONFOSSA-N 2 2 382.504 3.909 20 0 GHADLP CCC(=O)Nc1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000571835401 1019718529 /nfs/dbraw/zinc/71/85/29/1019718529.db2.gz URVYUYIEOXCITL-UHFFFAOYSA-N 2 2 383.511 3.971 20 0 GHADLP [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000577059036 1020114876 /nfs/dbraw/zinc/11/48/76/1020114876.db2.gz CHAABMVVBSVAPA-IRXDYDNUSA-N 2 2 384.549 3.548 20 0 GHADLP [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000577059036 1020114883 /nfs/dbraw/zinc/11/48/83/1020114883.db2.gz CHAABMVVBSVAPA-IRXDYDNUSA-N 2 2 384.549 3.548 20 0 GHADLP O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000642251536 1021087927 /nfs/dbraw/zinc/08/79/27/1021087927.db2.gz ADZMOHSVCKSIPN-UHFFFAOYSA-N 2 2 380.536 3.850 20 0 GHADLP CC(C)(C)C[C@H](NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000647814728 1021150362 /nfs/dbraw/zinc/15/03/62/1021150362.db2.gz BPHHBERDDWUTCZ-FQEVSTJZSA-N 2 2 375.532 3.636 20 0 GHADLP CC(C)(C)C[C@H](NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000647814728 1021150366 /nfs/dbraw/zinc/15/03/66/1021150366.db2.gz BPHHBERDDWUTCZ-FQEVSTJZSA-N 2 2 375.532 3.636 20 0 GHADLP COC(=O)c1cnc([C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)s1 ZINC001204542067 1032960213 /nfs/dbraw/zinc/96/02/13/1032960213.db2.gz BYSYAGLGTYFILN-INIZCTEOSA-N 2 2 387.549 3.835 20 0 GHADLP COC(=O)c1cnc([C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC001204542067 1032960215 /nfs/dbraw/zinc/96/02/15/1032960215.db2.gz BYSYAGLGTYFILN-INIZCTEOSA-N 2 2 387.549 3.835 20 0 GHADLP CC[C@@H]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001228543040 1032978162 /nfs/dbraw/zinc/97/81/62/1032978162.db2.gz PNRUMFPPHBLRGN-CZAYHTPWSA-N 2 2 392.632 3.791 20 0 GHADLP CC[C@@H]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001228543040 1032978169 /nfs/dbraw/zinc/97/81/69/1032978169.db2.gz PNRUMFPPHBLRGN-CZAYHTPWSA-N 2 2 392.632 3.791 20 0 GHADLP Cc1ccc(C[C@@H](CO)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1C ZINC000834913980 1021678227 /nfs/dbraw/zinc/67/82/27/1021678227.db2.gz JTMYSZJSNSSXCA-QFIPXVFZSA-N 2 2 381.564 3.531 20 0 GHADLP [NH3+]Cc1cccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000827008480 1021899002 /nfs/dbraw/zinc/89/90/02/1021899002.db2.gz PZDIMJVCZPLFLE-SFHVURJKSA-N 2 2 375.875 3.505 20 0 GHADLP COc1ccc([C@@H](C)Nc2ccc(N(C)CCO)c[nH+]2)cc1C[NH+]1CCCCC1 ZINC000679098800 1021960463 /nfs/dbraw/zinc/96/04/63/1021960463.db2.gz PCHHSANMTKQJDE-GOSISDBHSA-N 2 2 398.551 3.678 20 0 GHADLP COC(=O)Cc1ccccc1C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001140654306 1022170001 /nfs/dbraw/zinc/17/00/01/1022170001.db2.gz ZRGAVRGATCLFCJ-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP COC(=O)Cc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001140654306 1022170014 /nfs/dbraw/zinc/17/00/14/1022170014.db2.gz ZRGAVRGATCLFCJ-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP FC1(F)CCN(Cc2c[nH]c3cc[nH+]cc23)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001140803061 1022573472 /nfs/dbraw/zinc/57/34/72/1022573472.db2.gz IFDNECKIOULUIO-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CCN(Cc2c[nH]c3cc[nH+]cc23)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001140803061 1022573479 /nfs/dbraw/zinc/57/34/79/1022573479.db2.gz IFDNECKIOULUIO-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)cc1N ZINC001140897870 1022829363 /nfs/dbraw/zinc/82/93/63/1022829363.db2.gz POMCNBSKUYRTLS-UHFFFAOYSA-N 2 2 384.524 3.513 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)cc1N ZINC001140897870 1022829379 /nfs/dbraw/zinc/82/93/79/1022829379.db2.gz POMCNBSKUYRTLS-UHFFFAOYSA-N 2 2 384.524 3.513 20 0 GHADLP CC[NH+](CC)CC(=O)N1CC[NH+](C/C(C)=C/c2ccccc2C(F)(F)F)CC1 ZINC001204783192 1033089293 /nfs/dbraw/zinc/08/92/93/1033089293.db2.gz CNHZMODFKDSDAH-SAPNQHFASA-N 2 2 397.485 3.595 20 0 GHADLP COc1ccc(/C=C\C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000755214683 1023132137 /nfs/dbraw/zinc/13/21/37/1023132137.db2.gz VALLTOZUXHBJHO-ZSJAOWLCSA-N 2 2 399.579 3.504 20 0 GHADLP COc1ccc(/C=C\C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000755214683 1023132143 /nfs/dbraw/zinc/13/21/43/1023132143.db2.gz VALLTOZUXHBJHO-ZSJAOWLCSA-N 2 2 399.579 3.504 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000755787233 1023378748 /nfs/dbraw/zinc/37/87/48/1023378748.db2.gz CLVUMEXSOGWMBC-IBGZPJMESA-N 2 2 387.487 3.796 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000755787233 1023378757 /nfs/dbraw/zinc/37/87/57/1023378757.db2.gz CLVUMEXSOGWMBC-IBGZPJMESA-N 2 2 387.487 3.796 20 0 GHADLP CCCCc1[nH]c(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)CC3)CC2)c[nH+]1 ZINC001141070999 1023424254 /nfs/dbraw/zinc/42/42/54/1023424254.db2.gz WYHDZIRNHRASHH-UHFFFAOYSA-N 2 2 395.551 3.666 20 0 GHADLP C[NH2+][C@H]1CCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001156659650 1033162651 /nfs/dbraw/zinc/16/26/51/1033162651.db2.gz IZPYNVIFRNXZDP-RDTXWAMCSA-N 2 2 385.581 3.558 20 0 GHADLP C[NH2+][C@@H]1CCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001156659646 1033163347 /nfs/dbraw/zinc/16/33/47/1033163347.db2.gz IZPYNVIFRNXZDP-KSSFIOAISA-N 2 2 385.581 3.558 20 0 GHADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001141239107 1024239117 /nfs/dbraw/zinc/23/91/17/1024239117.db2.gz GAZVGMDZLFCCHE-UHFFFAOYSA-N 2 2 384.524 3.951 20 0 GHADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001141239107 1024239138 /nfs/dbraw/zinc/23/91/38/1024239138.db2.gz GAZVGMDZLFCCHE-UHFFFAOYSA-N 2 2 384.524 3.951 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cccc(N(C)C)c1)CC2 ZINC001141259569 1024321335 /nfs/dbraw/zinc/32/13/35/1024321335.db2.gz WGBZLOIFSBUINY-UHFFFAOYSA-N 2 2 382.552 3.988 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cccc(N(C)C)c1)CC2 ZINC001141259569 1024321349 /nfs/dbraw/zinc/32/13/49/1024321349.db2.gz WGBZLOIFSBUINY-UHFFFAOYSA-N 2 2 382.552 3.988 20 0 GHADLP C[C@@H]([NH2+]Cc1cc(Br)cnc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001205007679 1033205407 /nfs/dbraw/zinc/20/54/07/1033205407.db2.gz MEUZNEMCRPQKRZ-ZBFHGGJFSA-N 2 2 392.316 3.983 20 0 GHADLP C[C@@H]([NH2+]Cc1cc(Br)cnc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001205007679 1033205416 /nfs/dbraw/zinc/20/54/16/1033205416.db2.gz MEUZNEMCRPQKRZ-ZBFHGGJFSA-N 2 2 392.316 3.983 20 0 GHADLP CC(C)(C)Oc1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)n1 ZINC001138279368 1024536801 /nfs/dbraw/zinc/53/68/01/1024536801.db2.gz ZNHBKQPEFTXBNT-UHFFFAOYSA-N 2 2 399.535 3.719 20 0 GHADLP CC(C)(C)Oc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)n1 ZINC001138279368 1024536807 /nfs/dbraw/zinc/53/68/07/1024536807.db2.gz ZNHBKQPEFTXBNT-UHFFFAOYSA-N 2 2 399.535 3.719 20 0 GHADLP Cc1c2ccccc2[nH]c1C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001138404081 1024784878 /nfs/dbraw/zinc/78/48/78/1024784878.db2.gz YNYUKTAKFZIPKA-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP Cc1c2ccccc2[nH]c1C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001138404081 1024784885 /nfs/dbraw/zinc/78/48/85/1024784885.db2.gz YNYUKTAKFZIPKA-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1c[nH+]cn1Cc1ccccc1)[C@@H]2C ZINC001138561826 1025027105 /nfs/dbraw/zinc/02/71/05/1025027105.db2.gz AUUPEQKKKVWIOG-LJQANCHMSA-N 2 2 392.551 3.545 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1c[nH+]cn1Cc1ccccc1)[C@@H]2C ZINC001138561826 1025027117 /nfs/dbraw/zinc/02/71/17/1025027117.db2.gz AUUPEQKKKVWIOG-LJQANCHMSA-N 2 2 392.551 3.545 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1c[nH]nc1C(C)(C)C)C2 ZINC001138579534 1025059619 /nfs/dbraw/zinc/05/96/19/1025059619.db2.gz PXVACKNJMGAVOW-UHFFFAOYSA-N 2 2 393.535 3.886 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1c[nH]nc1C(C)(C)C)C2 ZINC001138579534 1025059634 /nfs/dbraw/zinc/05/96/34/1025059634.db2.gz PXVACKNJMGAVOW-UHFFFAOYSA-N 2 2 393.535 3.886 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1c[nH]nc1C(C)(C)C)C2 ZINC001138579534 1025059646 /nfs/dbraw/zinc/05/96/46/1025059646.db2.gz PXVACKNJMGAVOW-UHFFFAOYSA-N 2 2 393.535 3.886 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1c[nH]nc1C(C)(C)C)C2 ZINC001138579534 1025059657 /nfs/dbraw/zinc/05/96/57/1025059657.db2.gz PXVACKNJMGAVOW-UHFFFAOYSA-N 2 2 393.535 3.886 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3ccc(-n4cnc5ccccc54)cc3)CC2)nc(C)[nH+]1 ZINC001138583358 1025063460 /nfs/dbraw/zinc/06/34/60/1025063460.db2.gz DJFUPNRFOBJGTM-UHFFFAOYSA-N 2 2 398.514 3.755 20 0 GHADLP Fc1ccc(-n2cc(C[NH+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@H]4C3)cn2)cc1 ZINC001138648258 1025160116 /nfs/dbraw/zinc/16/01/16/1025160116.db2.gz VWRLGWMAUJHBLK-QZTJIDSGSA-N 2 2 382.508 3.637 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC001138769857 1025338781 /nfs/dbraw/zinc/33/87/81/1025338781.db2.gz LMKHAXPJVZXWCW-QHCPKHFHSA-N 2 2 396.531 3.725 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC001138769857 1025338792 /nfs/dbraw/zinc/33/87/92/1025338792.db2.gz LMKHAXPJVZXWCW-QHCPKHFHSA-N 2 2 396.531 3.725 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3ccnn3[C@@H]3CCCCO3)CC2)c2ccccc2[nH+]1 ZINC001138774344 1025346768 /nfs/dbraw/zinc/34/67/68/1025346768.db2.gz DYAUGCLHDQVELV-QHCPKHFHSA-N 2 2 391.519 3.761 20 0 GHADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001141548556 1025481096 /nfs/dbraw/zinc/48/10/96/1025481096.db2.gz BFKNMLRSYMSUIB-FCHUYYIVSA-N 2 2 389.559 3.807 20 0 GHADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001141548556 1025481111 /nfs/dbraw/zinc/48/11/11/1025481111.db2.gz BFKNMLRSYMSUIB-FCHUYYIVSA-N 2 2 389.559 3.807 20 0 GHADLP C[N@H+](CCCNc1[nH+]cnc2c1cnn2-c1ccccc1F)Cc1ccccc1 ZINC001162010864 1025537365 /nfs/dbraw/zinc/53/73/65/1025537365.db2.gz WETNJPWYOYAUNR-UHFFFAOYSA-N 2 2 390.466 3.889 20 0 GHADLP C[N@@H+](CCCNc1[nH+]cnc2c1cnn2-c1ccccc1F)Cc1ccccc1 ZINC001162010864 1025537379 /nfs/dbraw/zinc/53/73/79/1025537379.db2.gz WETNJPWYOYAUNR-UHFFFAOYSA-N 2 2 390.466 3.889 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000839063299 1025552393 /nfs/dbraw/zinc/55/23/93/1025552393.db2.gz JFGRXJUUIQLVND-UHFFFAOYSA-N 2 2 375.513 3.538 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]C[C@H]3CCOc4ccccc43)CC2)c1 ZINC001461012672 1069335231 /nfs/dbraw/zinc/33/52/31/1069335231.db2.gz DGSWUNBYNUOXMS-OAQYLSRUSA-N 2 2 379.548 3.663 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@@H](c2ccccc2)N2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC001461018172 1069339231 /nfs/dbraw/zinc/33/92/31/1069339231.db2.gz CLDCUXJLHLMOSZ-ZEQRLZLVSA-N 2 2 393.575 3.703 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@@H](c2ccccc2)N2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC001461018172 1069339239 /nfs/dbraw/zinc/33/92/39/1069339239.db2.gz CLDCUXJLHLMOSZ-ZEQRLZLVSA-N 2 2 393.575 3.703 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC000839186389 1025702815 /nfs/dbraw/zinc/70/28/15/1025702815.db2.gz LGAOSLDVJAGOOI-ZCNNSNEGSA-N 2 2 396.535 3.998 20 0 GHADLP Cc1nc(N2CCCCC2)sc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001461029975 1069346217 /nfs/dbraw/zinc/34/62/17/1069346217.db2.gz KWHVCXVDYWNWEN-UHFFFAOYSA-N 2 2 381.549 3.976 20 0 GHADLP CC(C)(C)[PH+](CCCNc1cc(N2CCC[C@H]2C(N)=O)nc[nH+]1)C(C)(C)C ZINC001162473676 1025761369 /nfs/dbraw/zinc/76/13/69/1025761369.db2.gz WBFOVHSZXXHMBX-HNNXBMFYSA-N 2 2 393.516 3.812 20 0 GHADLP CC(C)(C)[PH+](CCCNc1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1)C(C)(C)C ZINC001162473676 1025761381 /nfs/dbraw/zinc/76/13/81/1025761381.db2.gz WBFOVHSZXXHMBX-HNNXBMFYSA-N 2 2 393.516 3.812 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1ccc(-c3cccs3)s1)CC2 ZINC001139018237 1025777338 /nfs/dbraw/zinc/77/73/38/1025777338.db2.gz IDSYTGVERRVZCO-UHFFFAOYSA-N 2 2 389.590 3.653 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1ccc(-c3cccs3)s1)CC2 ZINC001139018237 1025777351 /nfs/dbraw/zinc/77/73/51/1025777351.db2.gz IDSYTGVERRVZCO-UHFFFAOYSA-N 2 2 389.590 3.653 20 0 GHADLP c1ccc(C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CCOCC2)cc1 ZINC001139062709 1025855315 /nfs/dbraw/zinc/85/53/15/1025855315.db2.gz TUCSFSPLNJUBEN-UHFFFAOYSA-N 2 2 380.532 3.700 20 0 GHADLP c1ccc(C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CCOCC2)cc1 ZINC001139062709 1025855337 /nfs/dbraw/zinc/85/53/37/1025855337.db2.gz TUCSFSPLNJUBEN-UHFFFAOYSA-N 2 2 380.532 3.700 20 0 GHADLP CC1(C)C[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC001461038716 1069353061 /nfs/dbraw/zinc/35/30/61/1069353061.db2.gz XUCSFVSJHYVFGY-GOSISDBHSA-N 2 2 399.501 3.765 20 0 GHADLP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001139094538 1025907060 /nfs/dbraw/zinc/90/70/60/1025907060.db2.gz DFALZMCIWYQPBB-UHFFFAOYSA-N 2 2 396.926 3.617 20 0 GHADLP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001139094538 1025907068 /nfs/dbraw/zinc/90/70/68/1025907068.db2.gz DFALZMCIWYQPBB-UHFFFAOYSA-N 2 2 396.926 3.617 20 0 GHADLP COc1ccc(C[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)nc1OC ZINC001139106732 1025914257 /nfs/dbraw/zinc/91/42/57/1025914257.db2.gz OMUUASJJNVNRNQ-UHFFFAOYSA-N 2 2 390.443 3.606 20 0 GHADLP CC(C)C[C@@H](C(=O)N(C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001162920519 1025967558 /nfs/dbraw/zinc/96/75/58/1025967558.db2.gz LNZAXSVAOZHHST-YADHBBJMSA-N 2 2 382.552 3.982 20 0 GHADLP CC(C)C[C@@H](C(=O)N(C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001162920519 1025967565 /nfs/dbraw/zinc/96/75/65/1025967565.db2.gz LNZAXSVAOZHHST-YADHBBJMSA-N 2 2 382.552 3.982 20 0 GHADLP O[C@@H](C[C@H]1COCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccco1 ZINC000839507099 1025993248 /nfs/dbraw/zinc/99/32/48/1025993248.db2.gz FAHAVCWHQLLLJC-VXKWHMMOSA-N 2 2 384.520 3.590 20 0 GHADLP O[C@@H](C[C@H]1COCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccco1 ZINC000839507099 1025993254 /nfs/dbraw/zinc/99/32/54/1025993254.db2.gz FAHAVCWHQLLLJC-VXKWHMMOSA-N 2 2 384.520 3.590 20 0 GHADLP Cc1ccc(N2C[C@]3(CC[N@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C3)CC2=O)cc1 ZINC001139359707 1026233373 /nfs/dbraw/zinc/23/33/73/1026233373.db2.gz IKEVREHRTRHLES-XMMPIXPASA-N 2 2 386.499 3.810 20 0 GHADLP Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C3)CC2=O)cc1 ZINC001139359707 1026233384 /nfs/dbraw/zinc/23/33/84/1026233384.db2.gz IKEVREHRTRHLES-XMMPIXPASA-N 2 2 386.499 3.810 20 0 GHADLP O=C1Nc2ccccc2CN1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001139360027 1026233452 /nfs/dbraw/zinc/23/34/52/1026233452.db2.gz FLPCRKSUTHMHKF-UHFFFAOYSA-N 2 2 387.487 3.884 20 0 GHADLP COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](c2ccccc2)C1 ZINC001139361595 1026236750 /nfs/dbraw/zinc/23/67/50/1026236750.db2.gz UWNQBQPNIOZMTO-IRLDBZIGSA-N 2 2 375.472 3.999 20 0 GHADLP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](c2ccccc2)C1 ZINC001139361595 1026236761 /nfs/dbraw/zinc/23/67/61/1026236761.db2.gz UWNQBQPNIOZMTO-IRLDBZIGSA-N 2 2 375.472 3.999 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)C1 ZINC001139542755 1026404617 /nfs/dbraw/zinc/40/46/17/1026404617.db2.gz PDEXOGPOZCEYOZ-HNNXBMFYSA-N 2 2 376.382 3.938 20 0 GHADLP COC(=O)c1cc2[nH+]c[nH]c2c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC001164493640 1026531810 /nfs/dbraw/zinc/53/18/10/1026531810.db2.gz VMNWHQWAPGWNEJ-BHIYHBOVSA-N 2 2 390.487 3.672 20 0 GHADLP COC(=O)c1cc2[nH+]c[nH]c2c(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC001164493640 1026531821 /nfs/dbraw/zinc/53/18/21/1026531821.db2.gz VMNWHQWAPGWNEJ-BHIYHBOVSA-N 2 2 390.487 3.672 20 0 GHADLP Nc1nc(N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC001165100890 1026606853 /nfs/dbraw/zinc/60/68/53/1026606853.db2.gz QFPWBYVGQHKSTG-FQEVSTJZSA-N 2 2 379.895 3.624 20 0 GHADLP Brc1ccc2oc(C[NH2+]CCCCNc3cccc[nH+]3)nc2c1 ZINC001461146678 1069412793 /nfs/dbraw/zinc/41/27/93/1069412793.db2.gz HIOBHLXFXQMJBF-UHFFFAOYSA-N 2 2 375.270 3.967 20 0 GHADLP Cc1nccn1-c1ccccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001140021663 1026805695 /nfs/dbraw/zinc/80/56/95/1026805695.db2.gz ORTKOUNSDKWKPU-BGYRXZFFSA-N 2 2 378.545 3.806 20 0 GHADLP Cc1nccn1-c1ccccc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001140021663 1026805706 /nfs/dbraw/zinc/80/57/06/1026805706.db2.gz ORTKOUNSDKWKPU-BGYRXZFFSA-N 2 2 378.545 3.806 20 0 GHADLP Cc1nccn1-c1ccccc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001140021663 1026805714 /nfs/dbraw/zinc/80/57/14/1026805714.db2.gz ORTKOUNSDKWKPU-BGYRXZFFSA-N 2 2 378.545 3.806 20 0 GHADLP Cc1nccn1-c1ccccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001140021663 1026805723 /nfs/dbraw/zinc/80/57/23/1026805723.db2.gz ORTKOUNSDKWKPU-BGYRXZFFSA-N 2 2 378.545 3.806 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001140025866 1026813079 /nfs/dbraw/zinc/81/30/79/1026813079.db2.gz FBEQJOBUPNHARJ-UHFFFAOYSA-N 2 2 382.508 3.766 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001140025866 1026813088 /nfs/dbraw/zinc/81/30/88/1026813088.db2.gz FBEQJOBUPNHARJ-UHFFFAOYSA-N 2 2 382.508 3.766 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC001140028610 1026816302 /nfs/dbraw/zinc/81/63/02/1026816302.db2.gz YIWLKYYGBXGSEB-UHFFFAOYSA-N 2 2 380.536 3.795 20 0 GHADLP COc1c(Cl)cccc1C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001140059900 1026839466 /nfs/dbraw/zinc/83/94/66/1026839466.db2.gz ZFLUPVWXQSHODO-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1c(Cl)cccc1C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001140059900 1026839477 /nfs/dbraw/zinc/83/94/77/1026839477.db2.gz ZFLUPVWXQSHODO-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1c(Cl)cccc1C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001140059900 1026839489 /nfs/dbraw/zinc/83/94/89/1026839489.db2.gz ZFLUPVWXQSHODO-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1c(Cl)cccc1C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001140059900 1026839498 /nfs/dbraw/zinc/83/94/98/1026839498.db2.gz ZFLUPVWXQSHODO-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1cc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1F ZINC001461158559 1069418528 /nfs/dbraw/zinc/41/85/28/1069418528.db2.gz BCLSCBGBBSRFSF-UHFFFAOYSA-N 2 2 391.918 3.790 20 0 GHADLP COc1cc2cc[nH+]c(N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)c2cc1F ZINC001165910341 1026866617 /nfs/dbraw/zinc/86/66/17/1026866617.db2.gz FJMOBSCLAYKKIN-UHFFFAOYSA-N 2 2 395.482 3.631 20 0 GHADLP CC(C)c1ccc(N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)[nH+]c1 ZINC001165912457 1026867659 /nfs/dbraw/zinc/86/76/59/1026867659.db2.gz JDMFIJHKRUJLIA-UHFFFAOYSA-N 2 2 388.519 3.562 20 0 GHADLP COc1cc(C)ccc1C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001461160163 1069419274 /nfs/dbraw/zinc/41/92/74/1069419274.db2.gz HRTUUMQURYVFPB-UHFFFAOYSA-N 2 2 387.955 3.959 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc2c1OCO2 ZINC001209718646 1027114354 /nfs/dbraw/zinc/11/43/54/1027114354.db2.gz GZZHKSIMLXPHFB-DEOSSOPVSA-N 2 2 394.515 3.912 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc2c1OCO2 ZINC001209718646 1027114361 /nfs/dbraw/zinc/11/43/61/1027114361.db2.gz GZZHKSIMLXPHFB-DEOSSOPVSA-N 2 2 394.515 3.912 20 0 GHADLP COc1cc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc2c1OCO2 ZINC001209718646 1027114372 /nfs/dbraw/zinc/11/43/72/1027114372.db2.gz GZZHKSIMLXPHFB-DEOSSOPVSA-N 2 2 394.515 3.912 20 0 GHADLP COc1cc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc2c1OCO2 ZINC001209718646 1027114378 /nfs/dbraw/zinc/11/43/78/1027114378.db2.gz GZZHKSIMLXPHFB-DEOSSOPVSA-N 2 2 394.515 3.912 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[C@H]([N@@H+](Cc2c[nH+]ccc2N)CC2CCC2)CC1 ZINC001209732919 1027127617 /nfs/dbraw/zinc/12/76/17/1027127617.db2.gz NSCTYAHNSDHLRC-WGSAOQKQSA-N 2 2 388.556 3.932 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[C@H]([N@H+](Cc2c[nH+]ccc2N)CC2CCC2)CC1 ZINC001209732919 1027127624 /nfs/dbraw/zinc/12/76/24/1027127624.db2.gz NSCTYAHNSDHLRC-WGSAOQKQSA-N 2 2 388.556 3.932 20 0 GHADLP CC(C)(C)C(=O)Nc1ccc(N)[nH+]c1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001166890027 1027135919 /nfs/dbraw/zinc/13/59/19/1027135919.db2.gz VTIJJJYEHYQICH-GOSISDBHSA-N 2 2 381.524 3.897 20 0 GHADLP CCc1[nH]c(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C)[nH+]1 ZINC001203239047 1027244071 /nfs/dbraw/zinc/24/40/71/1027244071.db2.gz UWOPXNDLEHODES-HXUWFJFHSA-N 3 2 382.552 3.536 20 0 GHADLP CCc1[nH]c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C)[nH+]1 ZINC001203239047 1027244082 /nfs/dbraw/zinc/24/40/82/1027244082.db2.gz UWOPXNDLEHODES-HXUWFJFHSA-N 3 2 382.552 3.536 20 0 GHADLP Fc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001203405924 1027318138 /nfs/dbraw/zinc/31/81/38/1027318138.db2.gz UKCQGGFQVLNOTB-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cccc(Cl)c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001203405924 1027318157 /nfs/dbraw/zinc/31/81/57/1027318157.db2.gz UKCQGGFQVLNOTB-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cccc(Cl)c1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001203405924 1027318176 /nfs/dbraw/zinc/31/81/76/1027318176.db2.gz UKCQGGFQVLNOTB-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cccc(Cl)c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001203405924 1027318190 /nfs/dbraw/zinc/31/81/90/1027318190.db2.gz UKCQGGFQVLNOTB-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP [NH3+]CC1C[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1 ZINC001210542948 1027550440 /nfs/dbraw/zinc/55/04/40/1027550440.db2.gz DIMUEPAWUCLBMT-UHFFFAOYSA-N 2 2 397.320 3.692 20 0 GHADLP CN(C(=O)OCCc1ccccc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001211394698 1027939761 /nfs/dbraw/zinc/93/97/61/1027939761.db2.gz RZRVTBFZQFKAJH-FCHUYYIVSA-N 2 2 387.568 3.635 20 0 GHADLP CN(C(=O)OCCc1ccccc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001211394698 1027939762 /nfs/dbraw/zinc/93/97/62/1027939762.db2.gz RZRVTBFZQFKAJH-FCHUYYIVSA-N 2 2 387.568 3.635 20 0 GHADLP COc1cc(OCC[NH+](C)C)ccc1NCc1c[nH+]c(C)n1-c1ccccc1 ZINC000840957421 1027986261 /nfs/dbraw/zinc/98/62/61/1027986261.db2.gz BAQXTQIZEUBQKV-UHFFFAOYSA-N 2 2 380.492 3.742 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000841065473 1028083236 /nfs/dbraw/zinc/08/32/36/1028083236.db2.gz PSNVNTSCRLPBRZ-QRVBRYPASA-N 2 2 376.447 3.796 20 0 GHADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001461343772 1069509917 /nfs/dbraw/zinc/50/99/17/1069509917.db2.gz KAKIVIQCKHLEES-SJORKVTESA-N 2 2 388.886 3.799 20 0 GHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001142167272 1028281515 /nfs/dbraw/zinc/28/15/15/1028281515.db2.gz CRGHEVYBNDARCR-JOCHJYFZSA-N 2 2 376.589 3.578 20 0 GHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001142167272 1028281534 /nfs/dbraw/zinc/28/15/34/1028281534.db2.gz CRGHEVYBNDARCR-JOCHJYFZSA-N 2 2 376.589 3.578 20 0 GHADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001142167272 1028281555 /nfs/dbraw/zinc/28/15/55/1028281555.db2.gz CRGHEVYBNDARCR-JOCHJYFZSA-N 2 2 376.589 3.578 20 0 GHADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001142167272 1028281576 /nfs/dbraw/zinc/28/15/76/1028281576.db2.gz CRGHEVYBNDARCR-JOCHJYFZSA-N 2 2 376.589 3.578 20 0 GHADLP Cc1cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)ccc1Br ZINC001461358014 1069517638 /nfs/dbraw/zinc/51/76/38/1069517638.db2.gz SSFVPGDSXKCUSK-KRWDZBQOSA-N 2 2 389.341 3.905 20 0 GHADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC001142239612 1028448549 /nfs/dbraw/zinc/44/85/49/1028448549.db2.gz IVNGXESKJPCIAT-WIYYLYMNSA-N 2 2 389.559 3.807 20 0 GHADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC001142239612 1028448560 /nfs/dbraw/zinc/44/85/60/1028448560.db2.gz IVNGXESKJPCIAT-WIYYLYMNSA-N 2 2 389.559 3.807 20 0 GHADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC001142239612 1028448564 /nfs/dbraw/zinc/44/85/64/1028448564.db2.gz IVNGXESKJPCIAT-WIYYLYMNSA-N 2 2 389.559 3.807 20 0 GHADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC001142239612 1028448574 /nfs/dbraw/zinc/44/85/74/1028448574.db2.gz IVNGXESKJPCIAT-WIYYLYMNSA-N 2 2 389.559 3.807 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]cc2-c2nc(-c3ccc(C(C)(C)C)cc3)no2)CC1 ZINC001214672059 1028851403 /nfs/dbraw/zinc/85/14/03/1028851403.db2.gz QVKNSOBTILNQOR-UHFFFAOYSA-N 2 2 377.492 3.848 20 0 GHADLP CC/C(=C\C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccc(C)cc1 ZINC001142467835 1028973942 /nfs/dbraw/zinc/97/39/42/1028973942.db2.gz DAZLXJYRMREKNI-XUTLUUPISA-N 2 2 383.580 3.807 20 0 GHADLP CC/C(=C\C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccc(C)cc1 ZINC001142467835 1028973944 /nfs/dbraw/zinc/97/39/44/1028973944.db2.gz DAZLXJYRMREKNI-XUTLUUPISA-N 2 2 383.580 3.807 20 0 GHADLP Cc1nc(Nc2ccc(C[NH2+]CC(C)C)cc2)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001215744550 1029378262 /nfs/dbraw/zinc/37/82/62/1029378262.db2.gz XPOQQSKUYNIYIL-CALCHBBNSA-N 2 2 383.540 3.888 20 0 GHADLP COc1cc(C)cc(OC)c1C[NH+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001143139855 1029864219 /nfs/dbraw/zinc/86/42/19/1029864219.db2.gz SOWGPSMWZOYCEF-NHCUHLMSSA-N 2 2 380.532 3.884 20 0 GHADLP COc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c(Br)c1OC ZINC001222320754 1030070064 /nfs/dbraw/zinc/07/00/64/1030070064.db2.gz MPCZIBPVRSVNSL-GOSISDBHSA-N 2 2 383.330 3.574 20 0 GHADLP COc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(Br)c1OC ZINC001222320754 1030070079 /nfs/dbraw/zinc/07/00/79/1030070079.db2.gz MPCZIBPVRSVNSL-GOSISDBHSA-N 2 2 383.330 3.574 20 0 GHADLP Brc1cc(CN2CCC[C@@]3(CCCC[NH2+]3)C2)ccc1-n1cc[nH+]c1 ZINC001222395284 1030105175 /nfs/dbraw/zinc/10/51/75/1030105175.db2.gz JWQSTIIGMWMFDS-IBGZPJMESA-N 2 2 389.341 3.743 20 0 GHADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000131356662 1030898520 /nfs/dbraw/zinc/89/85/20/1030898520.db2.gz PORYGOQJMWRQTA-RTBURBONSA-N 2 2 390.531 3.705 20 0 GHADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000131356662 1030898545 /nfs/dbraw/zinc/89/85/45/1030898545.db2.gz PORYGOQJMWRQTA-RTBURBONSA-N 2 2 390.531 3.705 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218337269 1030901214 /nfs/dbraw/zinc/90/12/14/1030901214.db2.gz WGPFOHLCCTUEPD-HYBUGGRVSA-N 3 2 393.575 3.899 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218337269 1030901220 /nfs/dbraw/zinc/90/12/20/1030901220.db2.gz WGPFOHLCCTUEPD-HYBUGGRVSA-N 3 2 393.575 3.899 20 0 GHADLP Cc1nc2c(c(O[C@@H]3C[NH2+]Cc4ccccc43)n1)CC[N@H+](Cc1ccccc1)C2 ZINC001218488887 1030959096 /nfs/dbraw/zinc/95/90/96/1030959096.db2.gz NHQSXVVKJCTCOT-HSZRJFAPSA-N 2 2 386.499 3.567 20 0 GHADLP Cc1nc2c(c(O[C@@H]3C[NH2+]Cc4ccccc43)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001218488887 1030959107 /nfs/dbraw/zinc/95/91/07/1030959107.db2.gz NHQSXVVKJCTCOT-HSZRJFAPSA-N 2 2 386.499 3.567 20 0 GHADLP CCC1([NH+]2CCCC2)CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC001224614705 1031059340 /nfs/dbraw/zinc/05/93/40/1031059340.db2.gz CKYKWUJXWOLEDJ-UHFFFAOYSA-N 2 2 399.514 3.561 20 0 GHADLP C[N@H+](Cc1ccccc1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C1CCCCC1 ZINC001219025381 1031218095 /nfs/dbraw/zinc/21/80/95/1031218095.db2.gz HRMQVZDTPHCYTH-NRFANRHFSA-N 3 2 380.536 3.662 20 0 GHADLP C[N@@H+](Cc1ccccc1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C1CCCCC1 ZINC001219025381 1031218111 /nfs/dbraw/zinc/21/81/11/1031218111.db2.gz HRMQVZDTPHCYTH-NRFANRHFSA-N 3 2 380.536 3.662 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c1C ZINC001225639995 1031522938 /nfs/dbraw/zinc/52/29/38/1031522938.db2.gz MGTFRKJOMNLPFL-LJQANCHMSA-N 2 2 388.556 3.503 20 0 GHADLP COc1ccc(-c2ccc(F)cc2OC)cc1C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205795284 1033576754 /nfs/dbraw/zinc/57/67/54/1033576754.db2.gz FQOOBEPJEWAQGS-INIZCTEOSA-N 2 2 394.437 3.926 20 0 GHADLP COc1ccc(-c2ccc(F)cc2OC)cc1C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205795284 1033576764 /nfs/dbraw/zinc/57/67/64/1033576764.db2.gz FQOOBEPJEWAQGS-INIZCTEOSA-N 2 2 394.437 3.926 20 0 GHADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001205813965 1033586912 /nfs/dbraw/zinc/58/69/12/1033586912.db2.gz AOPUWBOYUKMHSL-URXFXBBRSA-N 3 2 392.591 3.568 20 0 GHADLP CC(C)[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206598775 1033919087 /nfs/dbraw/zinc/91/90/87/1033919087.db2.gz MNIQESBTNKUDOF-QGZVFWFLSA-N 3 2 391.357 3.987 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206598775 1033919094 /nfs/dbraw/zinc/91/90/94/1033919094.db2.gz MNIQESBTNKUDOF-QGZVFWFLSA-N 3 2 391.357 3.987 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4cnn([C@@H]5CCCCO5)c4c3)cc2)C1 ZINC001206672483 1033939871 /nfs/dbraw/zinc/93/98/71/1033939871.db2.gz AWNWIZXKGNIJGB-GMAHTHKFSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4cnn([C@@H]5CCCCO5)c4c3)cc2)C1 ZINC001206672483 1033939874 /nfs/dbraw/zinc/93/98/74/1033939874.db2.gz AWNWIZXKGNIJGB-GMAHTHKFSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)CC2)C1 ZINC001158267611 1033994169 /nfs/dbraw/zinc/99/41/69/1033994169.db2.gz IHQILWSFYRYQMW-QFIPXVFZSA-N 2 2 399.542 3.812 20 0 GHADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)CC2)C1 ZINC001158267611 1033994177 /nfs/dbraw/zinc/99/41/77/1033994177.db2.gz IHQILWSFYRYQMW-QFIPXVFZSA-N 2 2 399.542 3.812 20 0 GHADLP Cc1nc2scc(-c3cccs3)c2c(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158269882 1033995845 /nfs/dbraw/zinc/99/58/45/1033995845.db2.gz SAAVGLGSZVCAEI-CQSZACIVSA-N 2 2 399.589 3.730 20 0 GHADLP Cc1nc2scc(-c3cccs3)c2c(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158269882 1033995847 /nfs/dbraw/zinc/99/58/47/1033995847.db2.gz SAAVGLGSZVCAEI-CQSZACIVSA-N 2 2 399.589 3.730 20 0 GHADLP Fc1ccc(-c2cc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)no2)cc1 ZINC001206835241 1034018980 /nfs/dbraw/zinc/01/89/80/1034018980.db2.gz NMRSFOWZOMMQAI-UXHICEINSA-N 2 2 392.478 3.830 20 0 GHADLP Fc1ccc(-c2cc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)no2)cc1 ZINC001206835241 1034018994 /nfs/dbraw/zinc/01/89/94/1034018994.db2.gz NMRSFOWZOMMQAI-UXHICEINSA-N 2 2 392.478 3.830 20 0 GHADLP Fc1ccc(-c2cc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)no2)cc1 ZINC001206835241 1034019010 /nfs/dbraw/zinc/01/90/10/1034019010.db2.gz NMRSFOWZOMMQAI-UXHICEINSA-N 2 2 392.478 3.830 20 0 GHADLP Fc1ccc(-c2cc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)no2)cc1 ZINC001206835241 1034019030 /nfs/dbraw/zinc/01/90/30/1034019030.db2.gz NMRSFOWZOMMQAI-UXHICEINSA-N 2 2 392.478 3.830 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001207316349 1034263419 /nfs/dbraw/zinc/26/34/19/1034263419.db2.gz XFFRIIOEDZJMMN-IBGZPJMESA-N 2 2 383.552 3.674 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001207365661 1034308240 /nfs/dbraw/zinc/30/82/40/1034308240.db2.gz CIDFKOQFLGNZIA-OKZBNKHCSA-N 2 2 391.581 3.511 20 0 GHADLP c1ccc(CC[C@@H]2CCC[N@H+]2Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001461902404 1069860966 /nfs/dbraw/zinc/86/09/66/1069860966.db2.gz VRRIVHDCCDRQPT-DEOSSOPVSA-N 2 2 394.559 3.995 20 0 GHADLP c1ccc(CC[C@@H]2CCC[N@@H+]2Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001461902404 1069860982 /nfs/dbraw/zinc/86/09/82/1069860982.db2.gz VRRIVHDCCDRQPT-DEOSSOPVSA-N 2 2 394.559 3.995 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(C)(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001207810157 1034588706 /nfs/dbraw/zinc/58/87/06/1034588706.db2.gz VGJDBPWPBNOQDZ-UHFFFAOYSA-N 2 2 389.540 3.962 20 0 GHADLP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001207824885 1034601339 /nfs/dbraw/zinc/60/13/39/1034601339.db2.gz FBRXOAGEIAPSBC-OKZBNKHCSA-N 2 2 377.492 3.850 20 0 GHADLP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001207824885 1034601347 /nfs/dbraw/zinc/60/13/47/1034601347.db2.gz FBRXOAGEIAPSBC-OKZBNKHCSA-N 2 2 377.492 3.850 20 0 GHADLP CC1(C)C[NH2+]Cc2cc(Nc3ccc(OCC[NH+]4CCOCC4)cc3)ccc21 ZINC001160286283 1034928306 /nfs/dbraw/zinc/92/83/06/1034928306.db2.gz GVYIBWWFQBDEHS-UHFFFAOYSA-N 2 2 381.520 3.522 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc4c2OCCO4)C3)cc1 ZINC001231886750 1034968691 /nfs/dbraw/zinc/96/86/91/1034968691.db2.gz ZGZMPGXGAXVMRS-DEOSSOPVSA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc4c2OCCO4)C3)cc1 ZINC001231886750 1034968697 /nfs/dbraw/zinc/96/86/97/1034968697.db2.gz ZGZMPGXGAXVMRS-DEOSSOPVSA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2cccc4c2OCCO4)C3)cc1 ZINC001231886750 1034968700 /nfs/dbraw/zinc/96/87/00/1034968700.db2.gz ZGZMPGXGAXVMRS-DEOSSOPVSA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc4c2OCCO4)C3)cc1 ZINC001231886750 1034968708 /nfs/dbraw/zinc/96/87/08/1034968708.db2.gz ZGZMPGXGAXVMRS-DEOSSOPVSA-N 2 2 378.516 3.946 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccnc(C(F)F)c3)CC[C@@H]21 ZINC001231889395 1034969823 /nfs/dbraw/zinc/96/98/23/1034969823.db2.gz SFGFEJHBEQOJSS-HBFSDRIKSA-N 2 2 389.494 3.589 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccnc(C(F)F)c3)CC[C@@H]21 ZINC001231889395 1034969832 /nfs/dbraw/zinc/96/98/32/1034969832.db2.gz SFGFEJHBEQOJSS-HBFSDRIKSA-N 2 2 389.494 3.589 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccnc(C(F)F)c3)CC[C@@H]21 ZINC001231889395 1034969837 /nfs/dbraw/zinc/96/98/37/1034969837.db2.gz SFGFEJHBEQOJSS-HBFSDRIKSA-N 2 2 389.494 3.589 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccnc(C(F)F)c3)CC[C@@H]21 ZINC001231889395 1034969842 /nfs/dbraw/zinc/96/98/42/1034969842.db2.gz SFGFEJHBEQOJSS-HBFSDRIKSA-N 2 2 389.494 3.589 20 0 GHADLP C[C@@H](C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2)OCc1ccccc1 ZINC001208697170 1034983887 /nfs/dbraw/zinc/98/38/87/1034983887.db2.gz BGFOKTGMJUIRQR-FQEVSTJZSA-N 2 2 384.520 3.552 20 0 GHADLP C[C@@H](C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2)OCc1ccccc1 ZINC001208697170 1034983889 /nfs/dbraw/zinc/98/38/89/1034983889.db2.gz BGFOKTGMJUIRQR-FQEVSTJZSA-N 2 2 384.520 3.552 20 0 GHADLP CC[C@@H](CCC(=O)OC)C[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001208780979 1035017518 /nfs/dbraw/zinc/01/75/18/1035017518.db2.gz DFPUMSKNBORFTJ-SFHVURJKSA-N 2 2 399.535 3.644 20 0 GHADLP CC[C@@H](CCC(=O)OC)C[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001208780979 1035017526 /nfs/dbraw/zinc/01/75/26/1035017526.db2.gz DFPUMSKNBORFTJ-SFHVURJKSA-N 2 2 399.535 3.644 20 0 GHADLP CC[C@@H](CCC(=O)OC)C[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001208780979 1035017534 /nfs/dbraw/zinc/01/75/34/1035017534.db2.gz DFPUMSKNBORFTJ-SFHVURJKSA-N 2 2 399.535 3.644 20 0 GHADLP CC[C@@H](CCC(=O)OC)C[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001208780979 1035017539 /nfs/dbraw/zinc/01/75/39/1035017539.db2.gz DFPUMSKNBORFTJ-SFHVURJKSA-N 2 2 399.535 3.644 20 0 GHADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001160739898 1035050869 /nfs/dbraw/zinc/05/08/69/1035050869.db2.gz RRBCWUZIGSXZOE-JOCHJYFZSA-N 2 2 380.536 3.576 20 0 GHADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001160739898 1035050876 /nfs/dbraw/zinc/05/08/76/1035050876.db2.gz RRBCWUZIGSXZOE-JOCHJYFZSA-N 2 2 380.536 3.576 20 0 GHADLP CN(Cc1ccccc1Oc1ccccc1)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160751423 1035056434 /nfs/dbraw/zinc/05/64/34/1035056434.db2.gz UYCLGWOZAIRTIP-OAQYLSRUSA-N 2 2 375.472 3.710 20 0 GHADLP c1csc(C[NH+]2C[C@@H]3C[NH+](C[C@H]4CC[N@H+](Cc5ccccc5)C4)C[C@H]3C2)c1 ZINC001208943891 1035114160 /nfs/dbraw/zinc/11/41/60/1035114160.db2.gz WFNMEPNXTONERI-FKBYEOEOSA-N 3 2 381.589 3.634 20 0 GHADLP c1csc(C[NH+]2C[C@@H]3C[NH+](C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)c1 ZINC001208943891 1035114164 /nfs/dbraw/zinc/11/41/64/1035114164.db2.gz WFNMEPNXTONERI-FKBYEOEOSA-N 3 2 381.589 3.634 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001232149651 1035127412 /nfs/dbraw/zinc/12/74/12/1035127412.db2.gz NPOGFUVTPIHHMH-XZOQPEGZSA-N 3 2 381.539 3.841 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001232149651 1035127416 /nfs/dbraw/zinc/12/74/16/1035127416.db2.gz NPOGFUVTPIHHMH-XZOQPEGZSA-N 3 2 381.539 3.841 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001232149651 1035127418 /nfs/dbraw/zinc/12/74/18/1035127418.db2.gz NPOGFUVTPIHHMH-XZOQPEGZSA-N 3 2 381.539 3.841 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001232149651 1035127421 /nfs/dbraw/zinc/12/74/21/1035127421.db2.gz NPOGFUVTPIHHMH-XZOQPEGZSA-N 3 2 381.539 3.841 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001232149646 1035127506 /nfs/dbraw/zinc/12/75/06/1035127506.db2.gz NPOGFUVTPIHHMH-DHIUTWEWSA-N 3 2 381.539 3.841 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001232149646 1035127513 /nfs/dbraw/zinc/12/75/13/1035127513.db2.gz NPOGFUVTPIHHMH-DHIUTWEWSA-N 3 2 381.539 3.841 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001232149646 1035127516 /nfs/dbraw/zinc/12/75/16/1035127516.db2.gz NPOGFUVTPIHHMH-DHIUTWEWSA-N 3 2 381.539 3.841 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001232149646 1035127521 /nfs/dbraw/zinc/12/75/21/1035127521.db2.gz NPOGFUVTPIHHMH-DHIUTWEWSA-N 3 2 381.539 3.841 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2ccnc4c(F)cccc24)CC3)n1 ZINC001232207758 1035162225 /nfs/dbraw/zinc/16/22/25/1035162225.db2.gz HWKLTHNMKPAMEE-UHFFFAOYSA-N 2 2 393.510 3.738 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2ccnc4c(F)cccc24)CC3)n1 ZINC001232207758 1035162228 /nfs/dbraw/zinc/16/22/28/1035162228.db2.gz HWKLTHNMKPAMEE-UHFFFAOYSA-N 2 2 393.510 3.738 20 0 GHADLP COc1cccc(C[NH+]2CCC3(CC[NH+](Cc4nnc(C)s4)CC3)CC2)c1 ZINC001232241814 1035180277 /nfs/dbraw/zinc/18/02/77/1035180277.db2.gz HFIRNGCXQXNWRU-UHFFFAOYSA-N 2 2 386.565 3.733 20 0 GHADLP C[C@H]1CN(C(=O)CC2=C(c3ccccc3)[NH2+]C(c3ccccc3)S2)C[C@H](C)[NH2+]1 ZINC001161229082 1035186354 /nfs/dbraw/zinc/18/63/54/1035186354.db2.gz BXKDRUIDKJWLEP-IRXDYDNUSA-N 2 2 392.548 3.828 20 0 GHADLP CN(CCC[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1)C(=O)OC(C)(C)C ZINC001209139519 1035190675 /nfs/dbraw/zinc/19/06/75/1035190675.db2.gz XQYUHADMHAHMPV-UHFFFAOYSA-N 2 2 387.568 3.766 20 0 GHADLP CN(CCC[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1)C(=O)OC(C)(C)C ZINC001209139519 1035190676 /nfs/dbraw/zinc/19/06/76/1035190676.db2.gz XQYUHADMHAHMPV-UHFFFAOYSA-N 2 2 387.568 3.766 20 0 GHADLP [NH3+][C@@H](CC(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1)c1cccc2ccccc21 ZINC001161472648 1035238556 /nfs/dbraw/zinc/23/85/56/1035238556.db2.gz XIFWWCBZWFBZIU-VQTJNVASSA-N 2 2 387.474 3.562 20 0 GHADLP [NH3+][C@@H]1CCCC[C@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000166673340 1035276555 /nfs/dbraw/zinc/27/65/55/1035276555.db2.gz RNJCPHYZRWLMGA-DHIUTWEWSA-N 2 2 388.515 3.732 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3c[nH]c4cc(F)ccc34)CC[C@@H]21 ZINC001209686569 1035355401 /nfs/dbraw/zinc/35/54/01/1035355401.db2.gz CCSAGJHGVDGPGT-MONBJTKQSA-N 2 2 395.526 3.877 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3c[nH]c4cc(F)ccc34)CC[C@@H]21 ZINC001209686569 1035355402 /nfs/dbraw/zinc/35/54/02/1035355402.db2.gz CCSAGJHGVDGPGT-MONBJTKQSA-N 2 2 395.526 3.877 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3c[nH]c4cc(F)ccc34)CC[C@@H]21 ZINC001209686569 1035355411 /nfs/dbraw/zinc/35/54/11/1035355411.db2.gz CCSAGJHGVDGPGT-MONBJTKQSA-N 2 2 395.526 3.877 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3c[nH]c4cc(F)ccc34)CC[C@@H]21 ZINC001209686569 1035355418 /nfs/dbraw/zinc/35/54/18/1035355418.db2.gz CCSAGJHGVDGPGT-MONBJTKQSA-N 2 2 395.526 3.877 20 0 GHADLP [NH3+][C@@H](Cc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1)Cc1ccc(Cl)cc1 ZINC001248179513 1035606876 /nfs/dbraw/zinc/60/68/76/1035606876.db2.gz YIOAUYCGNFZFTI-QGZVFWFLSA-N 2 2 379.851 3.688 20 0 GHADLP c1cc(C[NH+]2CCOCC2)cc(-c2ccc3nc([C@H]4[NH2+][C@@H]5CC[C@H]4C5)[nH]c3c2)c1 ZINC001241818073 1035711319 /nfs/dbraw/zinc/71/13/19/1035711319.db2.gz LNPIVQQGKAOWJG-MZKRTTBSSA-N 2 2 388.515 3.875 20 0 GHADLP COCC[N@H+](Cc1cccs1)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001462033249 1069958142 /nfs/dbraw/zinc/95/81/42/1069958142.db2.gz LVVTVFYIYOHDFQ-UHFFFAOYSA-N 2 2 398.475 3.780 20 0 GHADLP COCC[N@@H+](Cc1cccs1)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001462033249 1069958148 /nfs/dbraw/zinc/95/81/48/1069958148.db2.gz LVVTVFYIYOHDFQ-UHFFFAOYSA-N 2 2 398.475 3.780 20 0 GHADLP Fc1ccc2occc2c1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001248535658 1035940784 /nfs/dbraw/zinc/94/07/84/1035940784.db2.gz ZIPWPVIIEJUIGA-UHFFFAOYSA-N 2 2 382.483 3.813 20 0 GHADLP Fc1ccc2occc2c1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001248535658 1035940794 /nfs/dbraw/zinc/94/07/94/1035940794.db2.gz ZIPWPVIIEJUIGA-UHFFFAOYSA-N 2 2 382.483 3.813 20 0 GHADLP C[C@H]([NH2+][C@H](CC(N)=O)c1ccccc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001462056994 1069970408 /nfs/dbraw/zinc/97/04/08/1069970408.db2.gz AZGQXWAEKGEABD-DJPFJPOOSA-N 2 2 385.939 3.757 20 0 GHADLP C[C@H]([NH2+][C@H](CC(N)=O)c1ccccc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462056994 1069970413 /nfs/dbraw/zinc/97/04/13/1069970413.db2.gz AZGQXWAEKGEABD-DJPFJPOOSA-N 2 2 385.939 3.757 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC001462074003 1069980970 /nfs/dbraw/zinc/98/09/70/1069980970.db2.gz WDMSLBHAWKTTQX-FQEVSTJZSA-N 2 2 398.551 3.900 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC001462074003 1069980973 /nfs/dbraw/zinc/98/09/73/1069980973.db2.gz WDMSLBHAWKTTQX-FQEVSTJZSA-N 2 2 398.551 3.900 20 0 GHADLP C[NH+](C)CCOc1cccc(-c2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)c1 ZINC001243746988 1036267010 /nfs/dbraw/zinc/26/70/10/1036267010.db2.gz FTQIKTJUJPEPRF-UHFFFAOYSA-N 2 2 385.471 3.937 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@H]([NH2+][C@H]4[C@H]5C[NH2+]C[C@H]54)C[C@@H]23)cc1 ZINC001246148029 1037214384 /nfs/dbraw/zinc/21/43/84/1037214384.db2.gz ORLFKJWHZDQVBW-KTKTTYTDSA-N 3 2 387.571 3.559 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H]([NH2+][C@H]4[C@H]5C[NH2+]C[C@H]54)C[C@@H]23)cc1 ZINC001246148029 1037214397 /nfs/dbraw/zinc/21/43/97/1037214397.db2.gz ORLFKJWHZDQVBW-KTKTTYTDSA-N 3 2 387.571 3.559 20 0 GHADLP C[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246206616 1037238507 /nfs/dbraw/zinc/23/85/07/1037238507.db2.gz JBIRHJDGGFFXRI-YOEHRIQHSA-N 2 2 399.373 3.809 20 0 GHADLP C[N@H+](CCC[NH3+])CCC[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001246284887 1037277435 /nfs/dbraw/zinc/27/74/35/1037277435.db2.gz QBBSOWHLUAUTPE-UHFFFAOYSA-N 3 2 382.390 3.736 20 0 GHADLP C[N@@H+](CCC[NH3+])CCC[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001246284887 1037277455 /nfs/dbraw/zinc/27/74/55/1037277455.db2.gz QBBSOWHLUAUTPE-UHFFFAOYSA-N 3 2 382.390 3.736 20 0 GHADLP Cc1cc(C)cc([C@@H]([NH3+])[C@H]([NH2+][C@@H]2CCOC3(C[NH2+]C3)C2)c2cc(C)cc(C)c2)c1 ZINC001246336823 1037300550 /nfs/dbraw/zinc/30/05/50/1037300550.db2.gz QHBFIDHSRIVNCP-WXFUMESZSA-N 3 2 393.575 3.772 20 0 GHADLP CCc1ccc(C[N@H+](CC[NH3+])C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC001246352498 1037310745 /nfs/dbraw/zinc/31/07/45/1037310745.db2.gz RYOPIQUCKKRAMU-UHFFFAOYSA-N 2 2 399.966 3.968 20 0 GHADLP CCc1ccc(C[N@@H+](CC[NH3+])C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC001246352498 1037310765 /nfs/dbraw/zinc/31/07/65/1037310765.db2.gz RYOPIQUCKKRAMU-UHFFFAOYSA-N 2 2 399.966 3.968 20 0 GHADLP FC(F)(F)c1ccccc1CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246389970 1037350392 /nfs/dbraw/zinc/35/03/92/1037350392.db2.gz RJEMQDTWFHXUHD-BCDXTJNWSA-N 3 2 381.486 3.633 20 0 GHADLP [NH3+]C1(Cc2cccc(F)c2)CC[NH+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246421437 1037379199 /nfs/dbraw/zinc/37/91/99/1037379199.db2.gz SAKJHMYWLYCQGF-XZOQPEGZSA-N 3 2 381.539 3.525 20 0 GHADLP FC(F)(F)c1ccc(CC2(C[NH2+][C@@H]3CC4CC[NH+](CC4)C3)CC[NH2+]CC2)cc1 ZINC001246427546 1037387884 /nfs/dbraw/zinc/38/78/84/1037387884.db2.gz CTAQFGZLUROUDP-HXUWFJFHSA-N 3 2 395.513 3.692 20 0 GHADLP C[NH2+]CC[C@H](C)[NH2+][C@@]1(O)C=Cc2ccccc2[C@H]1c1c(O)ccc2ccccc21 ZINC001246489709 1037435095 /nfs/dbraw/zinc/43/50/95/1037435095.db2.gz AQODYVFRPBUCKQ-WGXRPPGPSA-N 2 2 388.511 3.980 20 0 GHADLP COc1cccc(N2CC[NH+]([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)c1 ZINC001246538753 1037470661 /nfs/dbraw/zinc/47/06/61/1037470661.db2.gz NQKVSJZZWCFHSG-REWPJTCUSA-N 2 2 383.511 3.758 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246957306 1037768615 /nfs/dbraw/zinc/76/86/15/1037768615.db2.gz BGVWVKGOOIJLRJ-QKNQBKEWSA-N 2 2 399.510 3.874 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246957306 1037768648 /nfs/dbraw/zinc/76/86/48/1037768648.db2.gz BGVWVKGOOIJLRJ-QKNQBKEWSA-N 2 2 399.510 3.874 20 0 GHADLP FC1(F)CN([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC[C@@H]1[NH+]1CCCCC1 ZINC001246992849 1037814468 /nfs/dbraw/zinc/81/44/68/1037814468.db2.gz ZRMHMQRGMKACBM-HBMCJLEFSA-N 2 2 377.523 3.545 20 0 GHADLP CCOC(=O)[C@H]1c2ccc(Cl)cc2CC[N@@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001247005436 1037830204 /nfs/dbraw/zinc/83/02/04/1037830204.db2.gz UEAPOZHKTGSJLZ-IEBWSBKVSA-N 2 2 376.928 3.725 20 0 GHADLP CCOC(=O)[C@H]1c2ccc(Cl)cc2CC[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001247005436 1037830229 /nfs/dbraw/zinc/83/02/29/1037830229.db2.gz UEAPOZHKTGSJLZ-IEBWSBKVSA-N 2 2 376.928 3.725 20 0 GHADLP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001462232247 1070104932 /nfs/dbraw/zinc/10/49/32/1070104932.db2.gz QFDFQRZRKKKOJY-IEBWSBKVSA-N 2 2 375.557 3.932 20 0 GHADLP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001462232247 1070104936 /nfs/dbraw/zinc/10/49/36/1070104936.db2.gz QFDFQRZRKKKOJY-IEBWSBKVSA-N 2 2 375.557 3.932 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cccnc2NC(=O)OC(C)(C)C)C1 ZINC001232543945 1038310430 /nfs/dbraw/zinc/31/04/30/1038310430.db2.gz BYEKKQONMCOZCL-QGZVFWFLSA-N 2 2 384.480 3.785 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cccnc2NC(=O)OC(C)(C)C)C1 ZINC001232543945 1038310444 /nfs/dbraw/zinc/31/04/44/1038310444.db2.gz BYEKKQONMCOZCL-QGZVFWFLSA-N 2 2 384.480 3.785 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC001462262855 1070129650 /nfs/dbraw/zinc/12/96/50/1070129650.db2.gz XKBCLJWMZKBXLJ-MOPGFXCFSA-N 2 2 394.506 3.998 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC001462262855 1070129657 /nfs/dbraw/zinc/12/96/57/1070129657.db2.gz XKBCLJWMZKBXLJ-MOPGFXCFSA-N 2 2 394.506 3.998 20 0 GHADLP COc1ncc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c2ccccc21 ZINC001232949660 1038726595 /nfs/dbraw/zinc/72/65/95/1038726595.db2.gz XLJITGXLDBAUCC-QHCPKHFHSA-N 2 2 383.536 3.566 20 0 GHADLP COc1ncc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c2ccccc21 ZINC001232949660 1038726601 /nfs/dbraw/zinc/72/66/01/1038726601.db2.gz XLJITGXLDBAUCC-QHCPKHFHSA-N 2 2 383.536 3.566 20 0 GHADLP COc1ncc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c2ccccc21 ZINC001232949660 1038726606 /nfs/dbraw/zinc/72/66/06/1038726606.db2.gz XLJITGXLDBAUCC-QHCPKHFHSA-N 2 2 383.536 3.566 20 0 GHADLP COc1ncc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c2ccccc21 ZINC001232949660 1038726612 /nfs/dbraw/zinc/72/66/12/1038726612.db2.gz XLJITGXLDBAUCC-QHCPKHFHSA-N 2 2 383.536 3.566 20 0 GHADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cnn(-c4cccc(C(F)(F)F)c4)c3)C[C@@H]2C1 ZINC001233043189 1038802925 /nfs/dbraw/zinc/80/29/25/1038802925.db2.gz MVEOJHIDPDXWGO-CALCHBBNSA-N 2 2 378.442 3.665 20 0 GHADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cnn(-c4cccc(C(F)(F)F)c4)c3)C[C@@H]2C1 ZINC001233043189 1038802947 /nfs/dbraw/zinc/80/29/47/1038802947.db2.gz MVEOJHIDPDXWGO-CALCHBBNSA-N 2 2 378.442 3.665 20 0 GHADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cnn(-c4cccc(C(F)(F)F)c4)c3)C[C@@H]2C1 ZINC001233043189 1038802964 /nfs/dbraw/zinc/80/29/64/1038802964.db2.gz MVEOJHIDPDXWGO-CALCHBBNSA-N 2 2 378.442 3.665 20 0 GHADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cnn(-c4cccc(C(F)(F)F)c4)c3)C[C@@H]2C1 ZINC001233043189 1038802987 /nfs/dbraw/zinc/80/29/87/1038802987.db2.gz MVEOJHIDPDXWGO-CALCHBBNSA-N 2 2 378.442 3.665 20 0 GHADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccc(OC)c3NC(=O)OC(C)(C)C)C[C@H]2C1 ZINC001233131040 1038914912 /nfs/dbraw/zinc/91/49/12/1038914912.db2.gz XTSHGNOLODUVKP-QZTJIDSGSA-N 2 2 389.540 3.816 20 0 GHADLP Oc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OCC1CC1 ZINC001233228905 1038989380 /nfs/dbraw/zinc/98/93/80/1038989380.db2.gz ZVWXSZPGOSQSCF-SZPZYZBQSA-N 2 2 378.516 3.745 20 0 GHADLP Oc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OCC1CC1 ZINC001233228905 1038989386 /nfs/dbraw/zinc/98/93/86/1038989386.db2.gz ZVWXSZPGOSQSCF-SZPZYZBQSA-N 2 2 378.516 3.745 20 0 GHADLP Oc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1OCC1CC1 ZINC001233228905 1038989389 /nfs/dbraw/zinc/98/93/89/1038989389.db2.gz ZVWXSZPGOSQSCF-SZPZYZBQSA-N 2 2 378.516 3.745 20 0 GHADLP Oc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1OCC1CC1 ZINC001233228905 1038989393 /nfs/dbraw/zinc/98/93/93/1038989393.db2.gz ZVWXSZPGOSQSCF-SZPZYZBQSA-N 2 2 378.516 3.745 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cnn3ccccc13)CC2 ZINC001233237793 1038997375 /nfs/dbraw/zinc/99/73/75/1038997375.db2.gz UNRZQSQQNHGGJB-UHFFFAOYSA-N 2 2 379.508 3.570 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cnn3ccccc13)CC2 ZINC001233237793 1038997380 /nfs/dbraw/zinc/99/73/80/1038997380.db2.gz UNRZQSQQNHGGJB-UHFFFAOYSA-N 2 2 379.508 3.570 20 0 GHADLP COc1cc(C[N@H+](C)C2CC[NH+](C)CC2)cc(OCc2ccccc2)c1OC ZINC001233251099 1039013343 /nfs/dbraw/zinc/01/33/43/1039013343.db2.gz NNLFZMXKWRTMRZ-UHFFFAOYSA-N 2 2 384.520 3.809 20 0 GHADLP COc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)cc(OCc2ccccc2)c1OC ZINC001233251099 1039013348 /nfs/dbraw/zinc/01/33/48/1039013348.db2.gz NNLFZMXKWRTMRZ-UHFFFAOYSA-N 2 2 384.520 3.809 20 0 GHADLP CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001252765486 1039157295 /nfs/dbraw/zinc/15/72/95/1039157295.db2.gz WVWVFIVIOFVBSV-OAQYLSRUSA-N 2 2 397.563 3.625 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c(F)ccc(O)c1F)CC2 ZINC001233394548 1039227693 /nfs/dbraw/zinc/22/76/93/1039227693.db2.gz RLKONVUCEDDHHV-HNNXBMFYSA-N 2 2 392.446 3.519 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c(F)ccc(O)c1F)CC2 ZINC001233394548 1039227706 /nfs/dbraw/zinc/22/77/06/1039227706.db2.gz RLKONVUCEDDHHV-HNNXBMFYSA-N 2 2 392.446 3.519 20 0 GHADLP O[C@@]1(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948811 1039291479 /nfs/dbraw/zinc/29/14/79/1039291479.db2.gz XUJRKCARAFTLJO-HXUWFJFHSA-N 2 2 390.449 3.921 20 0 GHADLP O[C@@]1(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948811 1039291490 /nfs/dbraw/zinc/29/14/90/1039291490.db2.gz XUJRKCARAFTLJO-HXUWFJFHSA-N 2 2 390.449 3.921 20 0 GHADLP CCCC[C@H](CC)COC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001253028318 1039360877 /nfs/dbraw/zinc/36/08/77/1039360877.db2.gz CKKLJUFUOWNYMF-CVDCTZTESA-N 2 2 392.584 3.540 20 0 GHADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001253209356 1039476004 /nfs/dbraw/zinc/47/60/04/1039476004.db2.gz ASNOJEJRMGLHFG-MJGOQNOKSA-N 2 2 391.556 3.555 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)ccc1-n1ccnc1 ZINC001234044556 1039782246 /nfs/dbraw/zinc/78/22/46/1039782246.db2.gz XUCBPMFOGUTQPP-RTBURBONSA-N 2 2 394.544 3.506 20 0 GHADLP CCNc1cc(CNC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC001253742159 1039789726 /nfs/dbraw/zinc/78/97/26/1039789726.db2.gz BFCOVLUNNFOPDW-UHFFFAOYSA-N 2 2 395.551 3.615 20 0 GHADLP COc1cc(C[NH+]2CCC3(CC[C@@H](COC(C)=O)C3)CC2)ccc1-n1cc[nH+]c1 ZINC001234085129 1039823812 /nfs/dbraw/zinc/82/38/12/1039823812.db2.gz NBGVLWRXRWYLQP-HXUWFJFHSA-N 2 2 397.519 3.826 20 0 GHADLP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001462428450 1070245377 /nfs/dbraw/zinc/24/53/77/1070245377.db2.gz RICLFXDPAQHCJO-ROUUACIJSA-N 2 2 385.552 3.694 20 0 GHADLP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC001462428450 1070245390 /nfs/dbraw/zinc/24/53/90/1070245390.db2.gz RICLFXDPAQHCJO-ROUUACIJSA-N 2 2 385.552 3.694 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001254296795 1040146692 /nfs/dbraw/zinc/14/66/92/1040146692.db2.gz VFIPELRKUBSKCW-QGZVFWFLSA-N 2 2 391.531 3.865 20 0 GHADLP CC(C)(C)c1ccc(OCc2ccccc2)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c1 ZINC001235000923 1040494938 /nfs/dbraw/zinc/49/49/38/1040494938.db2.gz IEUXENYHUQPIPY-RDGATRHJSA-N 2 2 394.559 3.577 20 0 GHADLP CC(C)(C)c1ccc(OCc2ccccc2)c(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c1 ZINC001235000923 1040494945 /nfs/dbraw/zinc/49/49/45/1040494945.db2.gz IEUXENYHUQPIPY-RDGATRHJSA-N 2 2 394.559 3.577 20 0 GHADLP COC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-n3cc[nH+]c3)c(Br)c1)C2 ZINC001235027351 1040518114 /nfs/dbraw/zinc/51/81/14/1040518114.db2.gz JLCJMRHWHBVKDG-APWZRJJASA-N 2 2 390.325 3.883 20 0 GHADLP COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-n3cc[nH+]c3)c(Br)c1)C2 ZINC001235027351 1040518134 /nfs/dbraw/zinc/51/81/34/1040518134.db2.gz JLCJMRHWHBVKDG-APWZRJJASA-N 2 2 390.325 3.883 20 0 GHADLP Brc1cc(C[N@@H+]2CC[C@@]3(C2)CCCCO3)ccc1-n1cc[nH+]c1 ZINC001235027636 1040519430 /nfs/dbraw/zinc/51/94/30/1040519430.db2.gz NOHPKQWFBXQKDR-GOSISDBHSA-N 2 2 376.298 3.780 20 0 GHADLP Brc1cc(C[N@H+]2CC[C@@]3(C2)CCCCO3)ccc1-n1cc[nH+]c1 ZINC001235027636 1040519447 /nfs/dbraw/zinc/51/94/47/1040519447.db2.gz NOHPKQWFBXQKDR-GOSISDBHSA-N 2 2 376.298 3.780 20 0 GHADLP Brc1cc(C[NH+]2CCC3(CCCO3)CC2)ccc1-n1cc[nH+]c1 ZINC001235032227 1040522842 /nfs/dbraw/zinc/52/28/42/1040522842.db2.gz USVOEHWCSGHZMJ-UHFFFAOYSA-N 2 2 376.298 3.780 20 0 GHADLP Brc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)ccc1-n1ccnc1 ZINC001235038509 1040531847 /nfs/dbraw/zinc/53/18/47/1040531847.db2.gz JTXDJMRKBBLGHM-LJQANCHMSA-N 2 2 389.341 3.743 20 0 GHADLP Brc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)ccc1-n1ccnc1 ZINC001235038509 1040531861 /nfs/dbraw/zinc/53/18/61/1040531861.db2.gz JTXDJMRKBBLGHM-LJQANCHMSA-N 2 2 389.341 3.743 20 0 GHADLP FC(F)(F)c1ccc(Cl)c(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1Cl ZINC001235039372 1040534554 /nfs/dbraw/zinc/53/45/54/1040534554.db2.gz ZDWDAZNTGSSDMQ-QMTHXVAHSA-N 2 2 383.241 3.823 20 0 GHADLP FC(F)(F)c1ccc(Cl)c(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1Cl ZINC001235039372 1040534571 /nfs/dbraw/zinc/53/45/71/1040534571.db2.gz ZDWDAZNTGSSDMQ-QMTHXVAHSA-N 2 2 383.241 3.823 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2cccc(N4CCCC4)c2)CC3)n1 ZINC001235086870 1040574344 /nfs/dbraw/zinc/57/43/44/1040574344.db2.gz WHAUAIHPMVFDMO-UHFFFAOYSA-N 2 2 393.579 3.651 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2cccc(N4CCCC4)c2)CC3)n1 ZINC001235086870 1040574352 /nfs/dbraw/zinc/57/43/52/1040574352.db2.gz WHAUAIHPMVFDMO-UHFFFAOYSA-N 2 2 393.579 3.651 20 0 GHADLP c1[nH]c2cc(OCc3ccccc3)ccc2c1C[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235114143 1040603240 /nfs/dbraw/zinc/60/32/40/1040603240.db2.gz KQNHODRLEFDFFY-DEOSSOPVSA-N 2 2 391.515 3.701 20 0 GHADLP c1[nH]c2cc(OCc3ccccc3)ccc2c1C[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235114143 1040603291 /nfs/dbraw/zinc/60/32/91/1040603291.db2.gz KQNHODRLEFDFFY-DEOSSOPVSA-N 2 2 391.515 3.701 20 0 GHADLP COC1CC[NH+](C2CC[NH+](Cc3ccc(Oc4cccnc4)cc3)CC2)CC1 ZINC001235125625 1040616740 /nfs/dbraw/zinc/61/67/40/1040616740.db2.gz HQFKFDGEBQOCCC-UHFFFAOYSA-N 2 2 381.520 3.949 20 0 GHADLP FC(F)Oc1ccc(Br)c(C[N@@H+]2CCCC23CC[NH2+]CC3)c1 ZINC001235145301 1040638683 /nfs/dbraw/zinc/63/86/83/1040638683.db2.gz SWODIBKCLWGKCV-UHFFFAOYSA-N 2 2 375.257 3.769 20 0 GHADLP FC(F)Oc1ccc(Br)c(C[N@H+]2CCCC23CC[NH2+]CC3)c1 ZINC001235145301 1040638705 /nfs/dbraw/zinc/63/87/05/1040638705.db2.gz SWODIBKCLWGKCV-UHFFFAOYSA-N 2 2 375.257 3.769 20 0 GHADLP C[C@H](c1nccc2ccccc21)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462480054 1070289336 /nfs/dbraw/zinc/28/93/36/1070289336.db2.gz NWWXHHYGENGPPM-NTKDMRAZSA-N 2 2 375.516 3.865 20 0 GHADLP C[C@H](c1nccc2ccccc21)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462480054 1070289342 /nfs/dbraw/zinc/28/93/42/1070289342.db2.gz NWWXHHYGENGPPM-NTKDMRAZSA-N 2 2 375.516 3.865 20 0 GHADLP C[C@H](c1nccc2ccccc21)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001462480054 1070289355 /nfs/dbraw/zinc/28/93/55/1070289355.db2.gz NWWXHHYGENGPPM-NTKDMRAZSA-N 2 2 375.516 3.865 20 0 GHADLP C[C@H](c1nccc2ccccc21)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001462480054 1070289361 /nfs/dbraw/zinc/28/93/61/1070289361.db2.gz NWWXHHYGENGPPM-NTKDMRAZSA-N 2 2 375.516 3.865 20 0 GHADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cccc(-c3ccc(Cl)cn3)c1)C2 ZINC001235233098 1040712267 /nfs/dbraw/zinc/71/22/67/1040712267.db2.gz NMZSMZURULLHDF-YJBOKZPZSA-N 2 2 381.829 3.986 20 0 GHADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cccc(-c3ccc(Cl)cn3)c1)C2 ZINC001235233098 1040712282 /nfs/dbraw/zinc/71/22/82/1040712282.db2.gz NMZSMZURULLHDF-YJBOKZPZSA-N 2 2 381.829 3.986 20 0 GHADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001235240696 1040722309 /nfs/dbraw/zinc/72/23/09/1040722309.db2.gz ZAZHEAWWRRRDBC-FCHUYYIVSA-N 2 2 395.551 3.721 20 0 GHADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001235240696 1040722321 /nfs/dbraw/zinc/72/23/21/1040722321.db2.gz ZAZHEAWWRRRDBC-FCHUYYIVSA-N 2 2 395.551 3.721 20 0 GHADLP Clc1cc2c(cc1C[N@@H+]1CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C1)OCO2 ZINC001235361249 1040846696 /nfs/dbraw/zinc/84/66/96/1040846696.db2.gz DKSMXOIERPZRPC-XMSQKQJNSA-N 2 2 384.907 3.822 20 0 GHADLP Clc1cc2c(cc1C[N@H+]1CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C1)OCO2 ZINC001235361249 1040846713 /nfs/dbraw/zinc/84/67/13/1040846713.db2.gz DKSMXOIERPZRPC-XMSQKQJNSA-N 2 2 384.907 3.822 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(F)c1OC ZINC001235379601 1040898598 /nfs/dbraw/zinc/89/85/98/1040898598.db2.gz HWJCACTXHMGWRI-CVDCTZTESA-N 2 2 384.495 3.596 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(F)c1OC ZINC001235379601 1040898637 /nfs/dbraw/zinc/89/86/37/1040898637.db2.gz HWJCACTXHMGWRI-CVDCTZTESA-N 2 2 384.495 3.596 20 0 GHADLP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1cc3c(c(OCc4ccccc4)c1)OCO3)C2 ZINC001235400849 1040913444 /nfs/dbraw/zinc/91/34/44/1040913444.db2.gz LEPRRWCNOJVPLA-GGAORHGYSA-N 2 2 398.478 3.518 20 0 GHADLP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cc3c(c(OCc4ccccc4)c1)OCO3)C2 ZINC001235400849 1040913445 /nfs/dbraw/zinc/91/34/45/1040913445.db2.gz LEPRRWCNOJVPLA-GGAORHGYSA-N 2 2 398.478 3.518 20 0 GHADLP COc1ccc(OCc2ccccc2)c(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235405742 1040917742 /nfs/dbraw/zinc/91/77/42/1040917742.db2.gz OOPWJERSICMCMH-PKTZIBPZSA-N 2 2 384.495 3.798 20 0 GHADLP COc1ccc(OCc2ccccc2)c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235405742 1040917743 /nfs/dbraw/zinc/91/77/43/1040917743.db2.gz OOPWJERSICMCMH-PKTZIBPZSA-N 2 2 384.495 3.798 20 0 GHADLP Cc1cc(F)c(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c(Br)c1 ZINC001235457721 1040946385 /nfs/dbraw/zinc/94/63/85/1040946385.db2.gz XGTVTYQMIAZUQU-UHFFFAOYSA-N 2 2 384.293 3.527 20 0 GHADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC2(CCn3c(-c4ccccc4)cnc32)CC1 ZINC001235575386 1040995298 /nfs/dbraw/zinc/99/52/98/1040995298.db2.gz TYGNRFBBCNEXLT-JOCHJYFZSA-N 2 2 386.543 3.857 20 0 GHADLP C[NH2+]CC1CC[NH+](Cc2c(Br)ccc(Br)c2F)CC1 ZINC001235678859 1041141626 /nfs/dbraw/zinc/14/16/26/1041141626.db2.gz GPZQBPOLTNVLLD-UHFFFAOYSA-N 2 2 394.126 3.782 20 0 GHADLP Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001235695367 1041170192 /nfs/dbraw/zinc/17/01/92/1041170192.db2.gz RKFFRVTXRDQHAN-GOSISDBHSA-N 2 2 385.502 3.671 20 0 GHADLP COCCC[N@H+](Cc1ccc(Br)c2cccnc12)[C@@H]1CCC[NH2+]C1 ZINC001235804040 1041312875 /nfs/dbraw/zinc/31/28/75/1041312875.db2.gz BQNVMVOZACIBKF-MRXNPFEDSA-N 2 2 392.341 3.588 20 0 GHADLP COCCC[N@@H+](Cc1ccc(Br)c2cccnc12)[C@@H]1CCC[NH2+]C1 ZINC001235804040 1041312889 /nfs/dbraw/zinc/31/28/89/1041312889.db2.gz BQNVMVOZACIBKF-MRXNPFEDSA-N 2 2 392.341 3.588 20 0 GHADLP CC1([NH+]2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)CC[NH2+]CC1 ZINC001235816661 1041332839 /nfs/dbraw/zinc/33/28/39/1041332839.db2.gz VTOOOWFHUGKSFR-UHFFFAOYSA-N 2 2 379.548 3.525 20 0 GHADLP CC1([NH+]2CCN(Cc3cc(Cl)cc(Cl)c3Cl)CC2)CC[NH2+]CC1 ZINC001235822067 1041339062 /nfs/dbraw/zinc/33/90/62/1041339062.db2.gz PUSYUJRFGYQVRP-UHFFFAOYSA-N 2 2 376.759 3.907 20 0 GHADLP COCCC[N@H+](Cc1cc(Br)c(Cl)cc1F)C1CC[NH2+]CC1 ZINC001235939691 1041446685 /nfs/dbraw/zinc/44/66/85/1041446685.db2.gz GSLGNLITTMCARR-UHFFFAOYSA-N 2 2 393.728 3.832 20 0 GHADLP COCCC[N@@H+](Cc1cc(Br)c(Cl)cc1F)C1CC[NH2+]CC1 ZINC001235939691 1041446705 /nfs/dbraw/zinc/44/67/05/1041446705.db2.gz GSLGNLITTMCARR-UHFFFAOYSA-N 2 2 393.728 3.832 20 0 GHADLP COCC[N@H+](Cc1cc(C)cc(Br)c1OC(C)C)C1CC[NH2+]CC1 ZINC001235949194 1041454138 /nfs/dbraw/zinc/45/41/38/1041454138.db2.gz ZEXLPZWSPIGLAD-UHFFFAOYSA-N 2 2 399.373 3.745 20 0 GHADLP COCC[N@@H+](Cc1cc(C)cc(Br)c1OC(C)C)C1CC[NH2+]CC1 ZINC001235949194 1041454149 /nfs/dbraw/zinc/45/41/49/1041454149.db2.gz ZEXLPZWSPIGLAD-UHFFFAOYSA-N 2 2 399.373 3.745 20 0 GHADLP C[N@@H+](Cc1ccc(Br)cc1OC(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC001235957303 1041465023 /nfs/dbraw/zinc/46/50/23/1041465023.db2.gz MNUWUBUKFINPMQ-NSHDSACASA-N 2 2 381.236 3.779 20 0 GHADLP C[N@H+](Cc1ccc(Br)cc1OC(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC001235957303 1041465033 /nfs/dbraw/zinc/46/50/33/1041465033.db2.gz MNUWUBUKFINPMQ-NSHDSACASA-N 2 2 381.236 3.779 20 0 GHADLP COc1ccc(C(F)(F)F)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236010539 1041502612 /nfs/dbraw/zinc/50/26/12/1041502612.db2.gz MDMJWOLUOULTOG-XLIONFOSSA-N 2 2 376.422 3.687 20 0 GHADLP COc1ccc(C(F)(F)F)c(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236010539 1041502622 /nfs/dbraw/zinc/50/26/22/1041502622.db2.gz MDMJWOLUOULTOG-XLIONFOSSA-N 2 2 376.422 3.687 20 0 GHADLP Fc1cc(-c2ccc(OCC[NH+]3CCOCC3)nc2)ccc1C[NH+]1CCCCC1 ZINC001236259183 1041645043 /nfs/dbraw/zinc/64/50/43/1041645043.db2.gz UVOAIUJUJXVTGD-UHFFFAOYSA-N 2 2 399.510 3.585 20 0 GHADLP CC(=O)Nc1snc([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1-c1ccccc1 ZINC001256216165 1041654225 /nfs/dbraw/zinc/65/42/25/1041654225.db2.gz UXZKSVWGWKSLRJ-KRWDZBQOSA-N 2 2 384.549 3.652 20 0 GHADLP CC(=O)Nc1snc([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1-c1ccccc1 ZINC001256216165 1041654257 /nfs/dbraw/zinc/65/42/57/1041654257.db2.gz UXZKSVWGWKSLRJ-KRWDZBQOSA-N 2 2 384.549 3.652 20 0 GHADLP Cc1ccc(O)c(C[N@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)n1 ZINC001236377435 1041688260 /nfs/dbraw/zinc/68/82/60/1041688260.db2.gz VMPULBAMUZNNCF-UHFFFAOYSA-N 2 2 390.325 3.612 20 0 GHADLP Cc1ccc(O)c(C[N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)n1 ZINC001236377435 1041688264 /nfs/dbraw/zinc/68/82/64/1041688264.db2.gz VMPULBAMUZNNCF-UHFFFAOYSA-N 2 2 390.325 3.612 20 0 GHADLP O=C(C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC001462559151 1070360946 /nfs/dbraw/zinc/36/09/46/1070360946.db2.gz RZEVMBJILJEDIS-HRAATJIYSA-N 2 2 385.458 3.861 20 0 GHADLP O=C(C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC001462559151 1070360965 /nfs/dbraw/zinc/36/09/65/1070360965.db2.gz RZEVMBJILJEDIS-HRAATJIYSA-N 2 2 385.458 3.861 20 0 GHADLP Nc1cc(Br)ccc1C[N@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236405366 1041703481 /nfs/dbraw/zinc/70/34/81/1041703481.db2.gz WRLBIEFEQYFFLF-UHFFFAOYSA-N 2 2 392.316 3.925 20 0 GHADLP Nc1cc(Br)ccc1C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236405366 1041703489 /nfs/dbraw/zinc/70/34/89/1041703489.db2.gz WRLBIEFEQYFFLF-UHFFFAOYSA-N 2 2 392.316 3.925 20 0 GHADLP Cc1cc(F)ccc1C[N@H+](Cc1ccc(Br)[nH]1)C1CC[NH2+]CC1 ZINC001236521174 1041751748 /nfs/dbraw/zinc/75/17/48/1041751748.db2.gz JRHOGCBDLXHTSQ-UHFFFAOYSA-N 2 2 380.305 3.979 20 0 GHADLP Cc1cc(F)ccc1C[N@@H+](Cc1ccc(Br)[nH]1)C1CC[NH2+]CC1 ZINC001236521174 1041751756 /nfs/dbraw/zinc/75/17/56/1041751756.db2.gz JRHOGCBDLXHTSQ-UHFFFAOYSA-N 2 2 380.305 3.979 20 0 GHADLP CC(C)Oc1c(Cl)cc(CN2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)cc1Cl ZINC001236622557 1041788996 /nfs/dbraw/zinc/78/89/96/1041788996.db2.gz PQRKJNVXDFQPGZ-OAHLLOKOSA-N 2 2 386.367 3.778 20 0 GHADLP CC(C)Oc1c(Cl)cc(CN2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)cc1Cl ZINC001236622557 1041788998 /nfs/dbraw/zinc/78/89/98/1041788998.db2.gz PQRKJNVXDFQPGZ-OAHLLOKOSA-N 2 2 386.367 3.778 20 0 GHADLP COc1ccc2nc(C[N@H+](Cc3ccccc3OC)[C@H]3CC[C@H]([NH3+])CC3)[nH]c2c1 ZINC001236713350 1041849951 /nfs/dbraw/zinc/84/99/51/1041849951.db2.gz AOBFCSXOHOWDQG-IYARVYRRSA-N 2 2 394.519 3.852 20 0 GHADLP COc1ccc2nc(C[N@@H+](Cc3ccccc3OC)[C@H]3CC[C@H]([NH3+])CC3)[nH]c2c1 ZINC001236713350 1041849956 /nfs/dbraw/zinc/84/99/56/1041849956.db2.gz AOBFCSXOHOWDQG-IYARVYRRSA-N 2 2 394.519 3.852 20 0 GHADLP Fc1cc(OC(F)F)ccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001236717645 1041853006 /nfs/dbraw/zinc/85/30/06/1041853006.db2.gz HZPDPERNQSAEIQ-AEFFLSMTSA-N 2 2 391.437 3.776 20 0 GHADLP Fc1cc(OC(F)F)ccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001236717645 1041853009 /nfs/dbraw/zinc/85/30/09/1041853009.db2.gz HZPDPERNQSAEIQ-AEFFLSMTSA-N 2 2 391.437 3.776 20 0 GHADLP Fc1cc(OC(F)F)ccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001236717645 1041853014 /nfs/dbraw/zinc/85/30/14/1041853014.db2.gz HZPDPERNQSAEIQ-AEFFLSMTSA-N 2 2 391.437 3.776 20 0 GHADLP Fc1cc(OC(F)F)ccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001236717645 1041853019 /nfs/dbraw/zinc/85/30/19/1041853019.db2.gz HZPDPERNQSAEIQ-AEFFLSMTSA-N 2 2 391.437 3.776 20 0 GHADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Br)cc(OC(F)(F)F)c3)C[C@H]12 ZINC001236826308 1041918674 /nfs/dbraw/zinc/91/86/74/1041918674.db2.gz BSEXCXAULIOWMN-DDTOSNHZSA-N 2 2 379.220 3.517 20 0 GHADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Br)cc(OC(F)(F)F)c3)C[C@H]12 ZINC001236826308 1041918677 /nfs/dbraw/zinc/91/86/77/1041918677.db2.gz BSEXCXAULIOWMN-DDTOSNHZSA-N 2 2 379.220 3.517 20 0 GHADLP Cc1cc(Br)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC001236832040 1041921495 /nfs/dbraw/zinc/92/14/95/1041921495.db2.gz TUJYFBJAIGVCMO-RWSFTLGLSA-N 2 2 388.147 3.689 20 0 GHADLP Cc1cc(Br)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC001236832040 1041921498 /nfs/dbraw/zinc/92/14/98/1041921498.db2.gz TUJYFBJAIGVCMO-RWSFTLGLSA-N 2 2 388.147 3.689 20 0 GHADLP Fc1ccccc1-c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cn1 ZINC001236988124 1041979440 /nfs/dbraw/zinc/97/94/40/1041979440.db2.gz FBGQNJXMMQRERJ-WOJBJXKFSA-N 2 2 388.490 3.847 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)C[NH2+]CCO4)cc2)cc1 ZINC001237143518 1042063056 /nfs/dbraw/zinc/06/30/56/1042063056.db2.gz RVSCJKKTSNFCMQ-FQEVSTJZSA-N 2 2 392.421 3.817 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CCO4)cc2)cc1 ZINC001237143518 1042063063 /nfs/dbraw/zinc/06/30/63/1042063063.db2.gz RVSCJKKTSNFCMQ-FQEVSTJZSA-N 2 2 392.421 3.817 20 0 GHADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OC(F)(F)F)c(Br)c3)C[C@@H]2C1 ZINC001237165923 1042074110 /nfs/dbraw/zinc/07/41/10/1042074110.db2.gz WVWOTLWEXFZUAP-OLZOCXBDSA-N 2 2 393.247 3.731 20 0 GHADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OC(F)(F)F)c(Br)c3)C[C@@H]2C1 ZINC001237165923 1042074114 /nfs/dbraw/zinc/07/41/14/1042074114.db2.gz WVWOTLWEXFZUAP-OLZOCXBDSA-N 2 2 393.247 3.731 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OC(F)(F)F)c(Br)c3)C[C@@H]2C1 ZINC001237165923 1042074122 /nfs/dbraw/zinc/07/41/22/1042074122.db2.gz WVWOTLWEXFZUAP-OLZOCXBDSA-N 2 2 393.247 3.731 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)c(Br)c3)C[C@@H]2C1 ZINC001237165923 1042074129 /nfs/dbraw/zinc/07/41/29/1042074129.db2.gz WVWOTLWEXFZUAP-OLZOCXBDSA-N 2 2 393.247 3.731 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1OC(=O)c1cccs1 ZINC001237393766 1042187092 /nfs/dbraw/zinc/18/70/92/1042187092.db2.gz SSEBYCNIDIKWNV-IRXDYDNUSA-N 2 2 386.517 3.550 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1OC(=O)c1cccs1 ZINC001237393766 1042187095 /nfs/dbraw/zinc/18/70/95/1042187095.db2.gz SSEBYCNIDIKWNV-IRXDYDNUSA-N 2 2 386.517 3.550 20 0 GHADLP C[C@H](c1ccccc1)[N@H+](C[C@@H]1C[NH2+]CCO1)[C@H]1CC[C@H]1OCc1ccccc1 ZINC001237463558 1042218472 /nfs/dbraw/zinc/21/84/72/1042218472.db2.gz MZVSRMAFLRWXAW-QLBRKBSLSA-N 2 2 380.532 3.786 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@H]1CC[C@H]1OCc1ccccc1 ZINC001237463558 1042218478 /nfs/dbraw/zinc/21/84/78/1042218478.db2.gz MZVSRMAFLRWXAW-QLBRKBSLSA-N 2 2 380.532 3.786 20 0 GHADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)C[C@H]2C1 ZINC001238203252 1042518558 /nfs/dbraw/zinc/51/85/58/1042518558.db2.gz AEABKHHWTUVZPY-WOJBJXKFSA-N 2 2 385.552 3.758 20 0 GHADLP COCC[N@H+](Cc1ccc(O)c(OCc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001238256670 1042534518 /nfs/dbraw/zinc/53/45/18/1042534518.db2.gz QUNNWUDPAVJJOB-UHFFFAOYSA-N 2 2 384.520 3.514 20 0 GHADLP COCC[N@@H+](Cc1ccc(O)c(OCc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001238256670 1042534521 /nfs/dbraw/zinc/53/45/21/1042534521.db2.gz QUNNWUDPAVJJOB-UHFFFAOYSA-N 2 2 384.520 3.514 20 0 GHADLP C[NH+]1CCC(C2CC[NH+](Cc3c(Br)ccc(O)c3F)CC2)CC1 ZINC001238306355 1042549475 /nfs/dbraw/zinc/54/94/75/1042549475.db2.gz JKDFWSLOTCSVCH-UHFFFAOYSA-N 2 2 385.321 3.848 20 0 GHADLP Fc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c(F)c1Cl ZINC001278308236 1042894180 /nfs/dbraw/zinc/89/41/80/1042894180.db2.gz LPULJLCIPFOWOS-UHFFFAOYSA-N 2 2 380.870 3.829 20 0 GHADLP Fc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c(F)c1Cl ZINC001278308236 1042894184 /nfs/dbraw/zinc/89/41/84/1042894184.db2.gz LPULJLCIPFOWOS-UHFFFAOYSA-N 2 2 380.870 3.829 20 0 GHADLP C[C@@H]1C[C@H](N2CC[NH+](Cc3ccc(F)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256539904 1043487703 /nfs/dbraw/zinc/48/77/03/1043487703.db2.gz YUMAVXDCHQRZNA-HYBUGGRVSA-N 2 2 381.539 3.996 20 0 GHADLP C[C@@H]1C[C@H](N2CC[NH+](Cc3ccc(F)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256539904 1043487716 /nfs/dbraw/zinc/48/77/16/1043487716.db2.gz YUMAVXDCHQRZNA-HYBUGGRVSA-N 2 2 381.539 3.996 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(OC3CCOCC3)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC001256540137 1043487880 /nfs/dbraw/zinc/48/78/80/1043487880.db2.gz XRSOBXVOQUYBMU-PZJWPPBQSA-N 2 2 395.547 3.782 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(OC3CCOCC3)ccn2)CC[N@H+]1Cc1ccccc1 ZINC001256540137 1043487885 /nfs/dbraw/zinc/48/78/85/1043487885.db2.gz XRSOBXVOQUYBMU-PZJWPPBQSA-N 2 2 395.547 3.782 20 0 GHADLP COc1cccc(N2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC001256539661 1043488293 /nfs/dbraw/zinc/48/82/93/1043488293.db2.gz YATNWFAVRURQKJ-REWPJTCUSA-N 2 2 379.548 3.870 20 0 GHADLP COc1cccc(N2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC001256539661 1043488304 /nfs/dbraw/zinc/48/83/04/1043488304.db2.gz YATNWFAVRURQKJ-REWPJTCUSA-N 2 2 379.548 3.870 20 0 GHADLP C[C@H]1C[C@H](N2CC[NH+](Cc3ccccc3F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256550415 1043514186 /nfs/dbraw/zinc/51/41/86/1043514186.db2.gz MHYDYVMWSPJFBN-NZQKXSOJSA-N 2 2 381.539 3.996 20 0 GHADLP C[C@H]1C[C@H](N2CC[NH+](Cc3ccccc3F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256550415 1043514190 /nfs/dbraw/zinc/51/41/90/1043514190.db2.gz MHYDYVMWSPJFBN-NZQKXSOJSA-N 2 2 381.539 3.996 20 0 GHADLP FC(F)(F)COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001256596094 1043561418 /nfs/dbraw/zinc/56/14/18/1043561418.db2.gz UNEWJXGFTDSCCB-UHFFFAOYSA-N 2 2 379.426 3.777 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001256605148 1043569281 /nfs/dbraw/zinc/56/92/81/1043569281.db2.gz CDUKYNCRCVLYAW-FPOVZHCZSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001256605148 1043569288 /nfs/dbraw/zinc/56/92/88/1043569288.db2.gz CDUKYNCRCVLYAW-FPOVZHCZSA-N 2 2 385.552 3.592 20 0 GHADLP O=C1Nc2ccccc2C2(CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)N1 ZINC001256609565 1043574412 /nfs/dbraw/zinc/57/44/12/1043574412.db2.gz ONPBJQPHIINPOS-UHFFFAOYSA-N 2 2 390.531 3.777 20 0 GHADLP COc1cc(OC2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)ccn1 ZINC001256612273 1043575582 /nfs/dbraw/zinc/57/55/82/1043575582.db2.gz GZEQWAZMDLHLAO-UHFFFAOYSA-N 2 2 381.520 3.598 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC001292093891 1043589661 /nfs/dbraw/zinc/58/96/61/1043589661.db2.gz YAKFDYOCUINTDY-GPMSIDNRSA-N 2 2 379.976 3.815 20 0 GHADLP Cn1cc[nH+]c1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC001256941485 1043763634 /nfs/dbraw/zinc/76/36/34/1043763634.db2.gz UCPHABFPGUFNRJ-OALUTQOASA-N 2 2 384.524 3.693 20 0 GHADLP CC[C@H]1C[C@@H](n2c[nH+]c(C)c2CSCC[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257126120 1043873836 /nfs/dbraw/zinc/87/38/36/1043873836.db2.gz KMHTVFZARVGUEL-HOTGVXAUSA-N 2 2 382.574 3.734 20 0 GHADLP CCOC(=O)c1ccc(C[C@H](C)N(c2ccc(C)c[nH+]2)C2CC[NH2+]CC2)cc1 ZINC001257166424 1043912150 /nfs/dbraw/zinc/91/21/50/1043912150.db2.gz GAONYWFERCMJOR-SFHVURJKSA-N 2 2 381.520 3.756 20 0 GHADLP CC(C)[NH+]1CCC([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)CC1 ZINC001257219142 1043940241 /nfs/dbraw/zinc/94/02/41/1043940241.db2.gz ZIJVDSQNYHJVSG-FQEVSTJZSA-N 3 2 391.625 3.676 20 0 GHADLP CCC[C@H](C)CC[C@H](C)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001257480555 1044012263 /nfs/dbraw/zinc/01/22/63/1044012263.db2.gz XRQKHLXIDGJSBY-UFYCRDLUSA-N 2 2 375.605 3.612 20 0 GHADLP CCC[C@H](C)CC[C@H](C)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001257480555 1044012277 /nfs/dbraw/zinc/01/22/77/1044012277.db2.gz XRQKHLXIDGJSBY-UFYCRDLUSA-N 2 2 375.605 3.612 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257585761 1044070604 /nfs/dbraw/zinc/07/06/04/1044070604.db2.gz ALYASTWBQLRLIQ-IZZQQSIFSA-N 2 2 377.573 3.581 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257585761 1044070614 /nfs/dbraw/zinc/07/06/14/1044070614.db2.gz ALYASTWBQLRLIQ-IZZQQSIFSA-N 2 2 377.573 3.581 20 0 GHADLP Cc1cccc(-c2cccc(C(=O)N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2)c1 ZINC001293255865 1044076080 /nfs/dbraw/zinc/07/60/80/1044076080.db2.gz ZSPLXPDBSGEVTH-DEOSSOPVSA-N 2 2 391.559 3.903 20 0 GHADLP Cc1cccc(-c2cccc(C(=O)N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2)c1 ZINC001293255865 1044076093 /nfs/dbraw/zinc/07/60/93/1044076093.db2.gz ZSPLXPDBSGEVTH-DEOSSOPVSA-N 2 2 391.559 3.903 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001257655017 1044102933 /nfs/dbraw/zinc/10/29/33/1044102933.db2.gz LETJBJOKHIKNRK-BZSNNMDCSA-N 2 2 375.513 3.631 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001257655017 1044102941 /nfs/dbraw/zinc/10/29/41/1044102941.db2.gz LETJBJOKHIKNRK-BZSNNMDCSA-N 2 2 375.513 3.631 20 0 GHADLP COc1ccc(CC2([NH3+])CC[NH+]([C@H]3COc4ccc(Cl)cc4C3)CC2)cc1 ZINC001257957361 1044274235 /nfs/dbraw/zinc/27/42/35/1044274235.db2.gz YWQMBNSXDMORDC-LJQANCHMSA-N 2 2 386.923 3.688 20 0 GHADLP COC(=O)C[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1cccc(Br)c1 ZINC001258008572 1044335182 /nfs/dbraw/zinc/33/51/82/1044335182.db2.gz XFDFERIOQMDBDS-GOSISDBHSA-N 2 2 397.357 3.763 20 0 GHADLP [NH3+]C1(Cc2cccc(F)c2)CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258138438 1044423805 /nfs/dbraw/zinc/42/38/05/1044423805.db2.gz XDMOVNHEAIINCQ-UHFFFAOYSA-N 3 2 395.566 3.869 20 0 GHADLP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001294047510 1044445860 /nfs/dbraw/zinc/44/58/60/1044445860.db2.gz KZPMPKULENWEDF-YKSBVNFPSA-N 2 2 391.559 3.729 20 0 GHADLP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001294047510 1044445875 /nfs/dbraw/zinc/44/58/75/1044445875.db2.gz KZPMPKULENWEDF-YKSBVNFPSA-N 2 2 391.559 3.729 20 0 GHADLP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC001294048733 1044446069 /nfs/dbraw/zinc/44/60/69/1044446069.db2.gz QKQATGLMTWWQMY-NRFANRHFSA-N 2 2 381.520 3.785 20 0 GHADLP CCOC(=O)CC[C@H](C)[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001258496444 1044582440 /nfs/dbraw/zinc/58/24/40/1044582440.db2.gz RJLICTBVGRXPNJ-HNNXBMFYSA-N 2 2 375.900 3.742 20 0 GHADLP CCCC[C@H](Cc1ccccc1)[NH+]1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001258710265 1044727051 /nfs/dbraw/zinc/72/70/51/1044727051.db2.gz PNWYOLAICJZLRX-HSZRJFAPSA-N 2 2 393.575 3.898 20 0 GHADLP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC001262558593 1046268641 /nfs/dbraw/zinc/26/86/41/1046268641.db2.gz KFDZTNWZTQXMSU-AZUAARDMSA-N 2 2 399.922 3.695 20 0 GHADLP Cc1nc(NCC[C@H](C)[N@H+](C)Cc2ccccc2)c(Br)c(C)[nH+]1 ZINC000379670594 1046770712 /nfs/dbraw/zinc/77/07/12/1046770712.db2.gz JAIXPDHVLUWBJI-ZDUSSCGKSA-N 2 2 377.330 3.600 20 0 GHADLP Cc1nc(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c(Br)c(C)[nH+]1 ZINC000379670594 1046770727 /nfs/dbraw/zinc/77/07/27/1046770727.db2.gz JAIXPDHVLUWBJI-ZDUSSCGKSA-N 2 2 377.330 3.600 20 0 GHADLP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(F)c(Cl)cc1F)CC2 ZINC001279302519 1047760783 /nfs/dbraw/zinc/76/07/83/1047760783.db2.gz HXHFONGTXHFQJL-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1cc(F)c(Cl)cc1F)CC2 ZINC001279302519 1047760787 /nfs/dbraw/zinc/76/07/87/1047760787.db2.gz HXHFONGTXHFQJL-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)ccc1N ZINC001279307979 1047761862 /nfs/dbraw/zinc/76/18/62/1047761862.db2.gz UPJZORPWKBXAHL-ALOPSCKCSA-N 2 2 376.957 3.972 20 0 GHADLP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccc1N ZINC001279307979 1047761865 /nfs/dbraw/zinc/76/18/65/1047761865.db2.gz UPJZORPWKBXAHL-ALOPSCKCSA-N 2 2 376.957 3.972 20 0 GHADLP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(Br)ccc3F)(C1)CCC2 ZINC001279341695 1047774581 /nfs/dbraw/zinc/77/45/81/1047774581.db2.gz RNCANXFIPPYPMM-RBUKOAKNSA-N 2 2 398.364 3.674 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)ccc1Br ZINC001279391708 1047791790 /nfs/dbraw/zinc/79/17/90/1047791790.db2.gz CIITZYXBKUYQSB-UHFFFAOYSA-N 2 2 394.401 3.607 20 0 GHADLP Cc1cc(C[NH+]2CC3(C2)CC[NH+](Cc2ccc(Cl)cc2F)CC3)n(C)n1 ZINC001279401104 1047794546 /nfs/dbraw/zinc/79/45/46/1047794546.db2.gz WITGNDJBHCRQLI-UHFFFAOYSA-N 2 2 376.907 3.619 20 0 GHADLP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1c(F)cc(Cl)cc1Cl)CC2 ZINC001279405449 1047795381 /nfs/dbraw/zinc/79/53/81/1047795381.db2.gz JVCXZPXECZUBMN-UHFFFAOYSA-N 2 2 388.358 3.982 20 0 GHADLP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1c(F)cc(Cl)cc1Cl)CC2 ZINC001279405449 1047795388 /nfs/dbraw/zinc/79/53/88/1047795388.db2.gz JVCXZPXECZUBMN-UHFFFAOYSA-N 2 2 388.358 3.982 20 0 GHADLP Fc1cnc(C[NH+]2CCC3(CC[N@H+](CCCC(F)(F)F)C3)CC2)c(F)c1 ZINC001279567532 1047840831 /nfs/dbraw/zinc/84/08/31/1047840831.db2.gz AUZKEZTVBQCMDZ-UHFFFAOYSA-N 2 2 377.401 3.990 20 0 GHADLP Fc1cnc(C[NH+]2CCC3(CC[N@@H+](CCCC(F)(F)F)C3)CC2)c(F)c1 ZINC001279567532 1047840839 /nfs/dbraw/zinc/84/08/39/1047840839.db2.gz AUZKEZTVBQCMDZ-UHFFFAOYSA-N 2 2 377.401 3.990 20 0 GHADLP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1sc(Cl)c2ccccc21 ZINC001279952977 1048005130 /nfs/dbraw/zinc/00/51/30/1048005130.db2.gz WGFWQAJUMIKRHK-GOOCMWNKSA-N 2 2 391.968 3.728 20 0 GHADLP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1sc(Cl)c2ccccc21 ZINC001279952977 1048005143 /nfs/dbraw/zinc/00/51/43/1048005143.db2.gz WGFWQAJUMIKRHK-GOOCMWNKSA-N 2 2 391.968 3.728 20 0 GHADLP c1ccc(C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]2CCCO2)cc1 ZINC001307430870 1049266938 /nfs/dbraw/zinc/26/69/38/1049266938.db2.gz OLSGFSXGZJIXNJ-VWLOTQADSA-N 2 2 393.575 3.880 20 0 GHADLP c1ccc(C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]2CCCO2)cc1 ZINC001307430870 1049266948 /nfs/dbraw/zinc/26/69/48/1049266948.db2.gz OLSGFSXGZJIXNJ-VWLOTQADSA-N 2 2 393.575 3.880 20 0 GHADLP C[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001307524185 1049369291 /nfs/dbraw/zinc/36/92/91/1049369291.db2.gz TZPRUJPAVAQLPP-HLAWJBBLSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001307524185 1049369309 /nfs/dbraw/zinc/36/93/09/1049369309.db2.gz TZPRUJPAVAQLPP-HLAWJBBLSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001307524185 1049369322 /nfs/dbraw/zinc/36/93/22/1049369322.db2.gz TZPRUJPAVAQLPP-HLAWJBBLSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001307524185 1049369336 /nfs/dbraw/zinc/36/93/36/1049369336.db2.gz TZPRUJPAVAQLPP-HLAWJBBLSA-N 2 2 387.568 3.886 20 0 GHADLP CNC(=O)[C@H]1CCCC[N@@H+]1C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001307583833 1049423772 /nfs/dbraw/zinc/42/37/72/1049423772.db2.gz QTGIBUINHYWNNO-XZOQPEGZSA-N 2 2 379.548 3.503 20 0 GHADLP CNC(=O)[C@H]1CCCC[N@H+]1C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001307583833 1049423776 /nfs/dbraw/zinc/42/37/76/1049423776.db2.gz QTGIBUINHYWNNO-XZOQPEGZSA-N 2 2 379.548 3.503 20 0 GHADLP CNC(=O)[C@H]1CCCC[NH+]1C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307583833 1049423784 /nfs/dbraw/zinc/42/37/84/1049423784.db2.gz QTGIBUINHYWNNO-XZOQPEGZSA-N 2 2 379.548 3.503 20 0 GHADLP CNC(=O)[C@H]1CCCC[NH+]1C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307583833 1049423787 /nfs/dbraw/zinc/42/37/87/1049423787.db2.gz QTGIBUINHYWNNO-XZOQPEGZSA-N 2 2 379.548 3.503 20 0 GHADLP COc1ccc(C[C@H](C)C[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001307645997 1049473529 /nfs/dbraw/zinc/47/35/29/1049473529.db2.gz UKCUSHZAXVALHP-FQEVSTJZSA-N 2 2 382.548 3.838 20 0 GHADLP COc1ccc(C[C@H](C)C[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001307645997 1049473543 /nfs/dbraw/zinc/47/35/43/1049473543.db2.gz UKCUSHZAXVALHP-FQEVSTJZSA-N 2 2 382.548 3.838 20 0 GHADLP C[C@@](O)(C[NH+]1CCC(C)([NH+]2CCCC2)CC1)c1ccc(Br)cc1F ZINC001307982206 1049737855 /nfs/dbraw/zinc/73/78/55/1049737855.db2.gz PRRUOQZKXOTIJK-LJQANCHMSA-N 2 2 399.348 3.746 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)[C@@H](C)C1 ZINC001308269127 1049932063 /nfs/dbraw/zinc/93/20/63/1049932063.db2.gz IGSPQGZNINNAQW-KSSFIOAISA-N 2 2 387.337 3.815 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)[C@@H](C)C1 ZINC001308269127 1049932067 /nfs/dbraw/zinc/93/20/67/1049932067.db2.gz IGSPQGZNINNAQW-KSSFIOAISA-N 2 2 387.337 3.815 20 0 GHADLP C[C@@H](O)[C@H]([NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1ccccc1 ZINC001308478954 1049985014 /nfs/dbraw/zinc/98/50/14/1049985014.db2.gz WYIDXQKCDHYDGY-IERDGZPVSA-N 2 2 385.895 3.827 20 0 GHADLP Brc1cccc2c1C[C@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CO2 ZINC001308499348 1049991519 /nfs/dbraw/zinc/99/15/19/1049991519.db2.gz FKTFTESLMGHSNY-LBPRGKRZSA-N 2 2 390.306 3.790 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1nn(C)c2ccccc12 ZINC001308508326 1049993757 /nfs/dbraw/zinc/99/37/57/1049993757.db2.gz QZXAJYOSQZARHO-UHFFFAOYSA-N 2 2 376.508 3.877 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)OC)cc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001308577330 1050017209 /nfs/dbraw/zinc/01/72/09/1050017209.db2.gz YANITMYMIBPKHP-LJQANCHMSA-N 2 2 384.495 3.956 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)OC)cc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001308577330 1050017214 /nfs/dbraw/zinc/01/72/14/1050017214.db2.gz YANITMYMIBPKHP-LJQANCHMSA-N 2 2 384.495 3.956 20 0 GHADLP CC[NH+](Cc1ccc(C(=O)OC)cc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001308577330 1050017220 /nfs/dbraw/zinc/01/72/20/1050017220.db2.gz YANITMYMIBPKHP-LJQANCHMSA-N 2 2 384.495 3.956 20 0 GHADLP CC[NH+](Cc1ccc(C(=O)OC)cc1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308577330 1050017225 /nfs/dbraw/zinc/01/72/25/1050017225.db2.gz YANITMYMIBPKHP-LJQANCHMSA-N 2 2 384.495 3.956 20 0 GHADLP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001308746900 1050079559 /nfs/dbraw/zinc/07/95/59/1050079559.db2.gz JUFNDPJTSKPFCD-MRXNPFEDSA-N 2 2 392.450 3.747 20 0 GHADLP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001308746900 1050079565 /nfs/dbraw/zinc/07/95/65/1050079565.db2.gz JUFNDPJTSKPFCD-MRXNPFEDSA-N 2 2 392.450 3.747 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)CC1 ZINC001308840999 1050118561 /nfs/dbraw/zinc/11/85/61/1050118561.db2.gz QFUFJESJZLJVDM-OALUTQOASA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)C2)CC1 ZINC001308840999 1050118568 /nfs/dbraw/zinc/11/85/68/1050118568.db2.gz QFUFJESJZLJVDM-OALUTQOASA-N 2 2 377.573 3.773 20 0 GHADLP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC001308897366 1050146800 /nfs/dbraw/zinc/14/68/00/1050146800.db2.gz HASZZIOQJUXLPS-JSGCOSHPSA-N 2 2 378.866 3.725 20 0 GHADLP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC001308897366 1050146806 /nfs/dbraw/zinc/14/68/06/1050146806.db2.gz HASZZIOQJUXLPS-JSGCOSHPSA-N 2 2 378.866 3.725 20 0 GHADLP CCc1oc2ccccc2c1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC001327611486 1050233903 /nfs/dbraw/zinc/23/39/03/1050233903.db2.gz NELZHPOQXQHXRK-UHFFFAOYSA-N 2 2 383.536 3.627 20 0 GHADLP CCc1oc2ccccc2c1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC001327611486 1050233915 /nfs/dbraw/zinc/23/39/15/1050233915.db2.gz NELZHPOQXQHXRK-UHFFFAOYSA-N 2 2 383.536 3.627 20 0 GHADLP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1 ZINC001330377504 1051003860 /nfs/dbraw/zinc/00/38/60/1051003860.db2.gz HRBWZIGTFMOPHO-HXUWFJFHSA-N 2 2 393.522 3.537 20 0 GHADLP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1 ZINC001330377504 1051003878 /nfs/dbraw/zinc/00/38/78/1051003878.db2.gz HRBWZIGTFMOPHO-HXUWFJFHSA-N 2 2 393.522 3.537 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCC([NH+](C)CC(F)F)CC2)c1 ZINC001330377504 1051003888 /nfs/dbraw/zinc/00/38/88/1051003888.db2.gz HRBWZIGTFMOPHO-HXUWFJFHSA-N 2 2 393.522 3.537 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCC([NH+](C)CC(F)F)CC2)c1 ZINC001330377504 1051003900 /nfs/dbraw/zinc/00/39/00/1051003900.db2.gz HRBWZIGTFMOPHO-HXUWFJFHSA-N 2 2 393.522 3.537 20 0 GHADLP C[C@H](CNC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1)[N@H+](C)Cc1ccccc1 ZINC001310793732 1051594437 /nfs/dbraw/zinc/59/44/37/1051594437.db2.gz PDWNHUHXVIOHPP-QGZVFWFLSA-N 2 2 391.519 3.943 20 0 GHADLP C[C@H](CNC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC001310793732 1051594447 /nfs/dbraw/zinc/59/44/47/1051594447.db2.gz PDWNHUHXVIOHPP-QGZVFWFLSA-N 2 2 391.519 3.943 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC001335346370 1052079909 /nfs/dbraw/zinc/07/99/09/1052079909.db2.gz WPVLYGIDGKWDNP-RTWAWAEBSA-N 2 2 399.922 3.525 20 0 GHADLP Cc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Cl)c1Cl ZINC001336027414 1052217491 /nfs/dbraw/zinc/21/74/91/1052217491.db2.gz XCSKDYYFFFGINC-UHFFFAOYSA-N 2 2 387.355 3.792 20 0 GHADLP Cc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)c1Cl ZINC001336027414 1052217503 /nfs/dbraw/zinc/21/75/03/1052217503.db2.gz XCSKDYYFFFGINC-UHFFFAOYSA-N 2 2 387.355 3.792 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001312641779 1052821036 /nfs/dbraw/zinc/82/10/36/1052821036.db2.gz MVXJDUVNLPCUJG-HKUYNNGSSA-N 2 2 389.588 3.648 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001312641779 1052821038 /nfs/dbraw/zinc/82/10/38/1052821038.db2.gz MVXJDUVNLPCUJG-HKUYNNGSSA-N 2 2 389.588 3.648 20 0 GHADLP C[C@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC001312659218 1052828765 /nfs/dbraw/zinc/82/87/65/1052828765.db2.gz JBXGNRRLYWYWGP-NYVOZVTQSA-N 2 2 391.519 3.615 20 0 GHADLP CCCCCC[N@H+](C)CC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318505746 1054686261 /nfs/dbraw/zinc/68/62/61/1054686261.db2.gz YGIJNKNAUQGFQG-UHFFFAOYSA-N 2 2 385.556 3.999 20 0 GHADLP CCCCCC[N@@H+](C)CC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318505746 1054686263 /nfs/dbraw/zinc/68/62/63/1054686263.db2.gz YGIJNKNAUQGFQG-UHFFFAOYSA-N 2 2 385.556 3.999 20 0 GHADLP CCCCCC[N@H+](C)CC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318505746 1054686266 /nfs/dbraw/zinc/68/62/66/1054686266.db2.gz YGIJNKNAUQGFQG-UHFFFAOYSA-N 2 2 385.556 3.999 20 0 GHADLP CCCCCC[N@@H+](C)CC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318505746 1054686268 /nfs/dbraw/zinc/68/62/68/1054686268.db2.gz YGIJNKNAUQGFQG-UHFFFAOYSA-N 2 2 385.556 3.999 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1cc(F)c(F)c(F)c1 ZINC001319290064 1055160672 /nfs/dbraw/zinc/16/06/72/1055160672.db2.gz MPFNUHJPCYATSJ-OAHLLOKOSA-N 2 2 377.454 3.702 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC001319492863 1055288070 /nfs/dbraw/zinc/28/80/70/1055288070.db2.gz AADVSCBLMATJGX-UHFFFAOYSA-N 2 2 390.365 3.698 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 ZINC001319705679 1055413073 /nfs/dbraw/zinc/41/30/73/1055413073.db2.gz YAQVLMVBSNSRJQ-AQNXPRMDSA-N 2 2 389.902 3.643 20 0 GHADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 ZINC001319705679 1055413082 /nfs/dbraw/zinc/41/30/82/1055413082.db2.gz YAQVLMVBSNSRJQ-AQNXPRMDSA-N 2 2 389.902 3.643 20 0 GHADLP COCCOc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(Cl)c1 ZINC001320352736 1055768295 /nfs/dbraw/zinc/76/82/95/1055768295.db2.gz DXLRYYXFAZKDDD-UHFFFAOYSA-N 2 2 386.839 3.507 20 0 GHADLP CC(C)(C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)Cc1ccccc1 ZINC001200498985 1056134097 /nfs/dbraw/zinc/13/40/97/1056134097.db2.gz BDLGWNFXUKJULZ-UHFFFAOYSA-N 2 2 382.548 3.756 20 0 GHADLP O=C(CCCC[NH+]1CCCC1)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001321581678 1056327938 /nfs/dbraw/zinc/32/79/38/1056327938.db2.gz WLDGHZAREOVPIP-UHFFFAOYSA-N 2 2 383.540 3.753 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC001322615854 1056772052 /nfs/dbraw/zinc/77/20/52/1056772052.db2.gz YMTMXLGEBRIQAH-UHFFFAOYSA-N 2 2 387.230 3.783 20 0 GHADLP Fc1cccc2c1CC[C@H]2[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001323485598 1056975760 /nfs/dbraw/zinc/97/57/60/1056975760.db2.gz LACRHPDTKMPEHJ-WMZHIEFXSA-N 2 2 394.538 3.742 20 0 GHADLP Fc1cccc2c1CC[C@H]2[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001323485598 1056975764 /nfs/dbraw/zinc/97/57/64/1056975764.db2.gz LACRHPDTKMPEHJ-WMZHIEFXSA-N 2 2 394.538 3.742 20 0 GHADLP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001325579468 1057342629 /nfs/dbraw/zinc/34/26/29/1057342629.db2.gz JRQRIGPNDIEJBN-KNKQGSTJSA-N 2 2 392.632 3.553 20 0 GHADLP [NH2+]=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1cccc(OC(F)(F)F)c1 ZINC000849082982 1057585054 /nfs/dbraw/zinc/58/50/54/1057585054.db2.gz HSUMGMKQUZSMHM-UHFFFAOYSA-N 2 2 389.381 3.966 20 0 GHADLP C[NH+](C)[C@H](CNC(=[NH2+])NCCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000849088868 1057588568 /nfs/dbraw/zinc/58/85/68/1057588568.db2.gz VJKVNFNSFXGXGS-GOSISDBHSA-N 2 2 378.442 3.665 20 0 GHADLP CC(C)(CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)[NH+]1CCCCC1 ZINC001440353505 1058502766 /nfs/dbraw/zinc/50/27/66/1058502766.db2.gz PHUZXFZQUWISLP-HXUWFJFHSA-N 2 2 375.532 3.561 20 0 GHADLP CC(C)(CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)[NH+]1CCCCC1 ZINC001440353505 1058502786 /nfs/dbraw/zinc/50/27/86/1058502786.db2.gz PHUZXFZQUWISLP-HXUWFJFHSA-N 2 2 375.532 3.561 20 0 GHADLP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC001444848713 1059396445 /nfs/dbraw/zinc/39/64/45/1059396445.db2.gz OLGHHRRTRLVHEM-QZTJIDSGSA-N 2 2 394.441 3.672 20 0 GHADLP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001453644522 1061174745 /nfs/dbraw/zinc/17/47/45/1061174745.db2.gz XICPOFBMMOWWDK-IFMALSPDSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001453644522 1061174749 /nfs/dbraw/zinc/17/47/49/1061174749.db2.gz XICPOFBMMOWWDK-IFMALSPDSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001453644522 1061174755 /nfs/dbraw/zinc/17/47/55/1061174755.db2.gz XICPOFBMMOWWDK-IFMALSPDSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001453644522 1061174762 /nfs/dbraw/zinc/17/47/62/1061174762.db2.gz XICPOFBMMOWWDK-IFMALSPDSA-N 2 2 387.543 3.703 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)N3[C@@H](C)CCC[C@H]3CC[NH+](C)C)cn2c1 ZINC001453753102 1061200597 /nfs/dbraw/zinc/20/05/97/1061200597.db2.gz QMOCZMBMWUOTNR-HKUYNNGSSA-N 2 2 388.581 3.597 20 0 GHADLP Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC[NH2+]1 ZINC001454457467 1061787965 /nfs/dbraw/zinc/78/79/65/1061787965.db2.gz FUTDRLLAMLEBDL-GOTSBHOMSA-N 2 2 395.522 3.662 20 0 GHADLP Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC[NH2+]1 ZINC001454457467 1061787982 /nfs/dbraw/zinc/78/79/82/1061787982.db2.gz FUTDRLLAMLEBDL-GOTSBHOMSA-N 2 2 395.522 3.662 20 0 GHADLP CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001545880435 1062059683 /nfs/dbraw/zinc/05/96/83/1062059683.db2.gz ZXXSIKBOPHURSZ-RBBKRZOGSA-N 2 2 398.551 3.689 20 0 GHADLP CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001545880435 1062059709 /nfs/dbraw/zinc/05/97/09/1062059709.db2.gz ZXXSIKBOPHURSZ-RBBKRZOGSA-N 2 2 398.551 3.689 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001455460030 1062163017 /nfs/dbraw/zinc/16/30/17/1062163017.db2.gz XLJWKZPXPVPMSJ-HSZRJFAPSA-N 2 2 397.538 3.839 20 0 GHADLP CCC1([NH+]2CCCC2)CCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2CC(C)C)CC1 ZINC001347644996 1062548172 /nfs/dbraw/zinc/54/81/72/1062548172.db2.gz KCSWODVQFSDISB-IBGZPJMESA-N 2 2 388.604 3.546 20 0 GHADLP CCC1([NH+]2CCCC2)CCN(c2nnc([C@@H]3CCC[N@H+]3C)n2CC(C)C)CC1 ZINC001347644996 1062548194 /nfs/dbraw/zinc/54/81/94/1062548194.db2.gz KCSWODVQFSDISB-IBGZPJMESA-N 2 2 388.604 3.546 20 0 GHADLP CC[NH+](CC)CCOc1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001457148937 1062989729 /nfs/dbraw/zinc/98/97/29/1062989729.db2.gz OGZMAZYKOJUBFB-UHFFFAOYSA-N 2 2 392.503 3.904 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NCc3ccccc3C[N@H+]3CCCC[C@@H]3C)ccn12 ZINC001350341028 1064059801 /nfs/dbraw/zinc/05/98/01/1064059801.db2.gz RCPLUVIWLDWHRG-KRWDZBQOSA-N 2 2 376.504 3.947 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NCc3ccccc3C[N@@H+]3CCCC[C@@H]3C)ccn12 ZINC001350341028 1064059810 /nfs/dbraw/zinc/05/98/10/1064059810.db2.gz RCPLUVIWLDWHRG-KRWDZBQOSA-N 2 2 376.504 3.947 20 0 GHADLP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001459603409 1064139033 /nfs/dbraw/zinc/13/90/33/1064139033.db2.gz RCJCNZFKPIINBZ-XUZZJYLKSA-N 2 2 385.596 3.868 20 0 GHADLP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001459603409 1064139035 /nfs/dbraw/zinc/13/90/35/1064139035.db2.gz RCJCNZFKPIINBZ-XUZZJYLKSA-N 2 2 385.596 3.868 20 0 GHADLP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001459603409 1064139038 /nfs/dbraw/zinc/13/90/38/1064139038.db2.gz RCJCNZFKPIINBZ-XUZZJYLKSA-N 2 2 385.596 3.868 20 0 GHADLP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001459603409 1064139043 /nfs/dbraw/zinc/13/90/43/1064139043.db2.gz RCJCNZFKPIINBZ-XUZZJYLKSA-N 2 2 385.596 3.868 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC001463825034 1064651806 /nfs/dbraw/zinc/65/18/06/1064651806.db2.gz BQHAPYQOFNPYPN-OAQYLSRUSA-N 2 2 385.939 3.677 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC001463825034 1064651810 /nfs/dbraw/zinc/65/18/10/1064651810.db2.gz BQHAPYQOFNPYPN-OAQYLSRUSA-N 2 2 385.939 3.677 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cc2)C1 ZINC001464212947 1064910167 /nfs/dbraw/zinc/91/01/67/1064910167.db2.gz QVEHURSQDGCGAZ-CALCHBBNSA-N 2 2 376.504 3.971 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cc2)C1 ZINC001464212947 1064910169 /nfs/dbraw/zinc/91/01/69/1064910169.db2.gz QVEHURSQDGCGAZ-CALCHBBNSA-N 2 2 376.504 3.971 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C/c1ccc(C(=O)OC(C)(C)C)o1 ZINC001465206837 1065461452 /nfs/dbraw/zinc/46/14/52/1065461452.db2.gz WCMMXMFVWVORFB-SOFGYWHQSA-N 2 2 394.431 3.776 20 0 GHADLP Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc(C)[nH+]1 ZINC001465885853 1065910805 /nfs/dbraw/zinc/91/08/05/1065910805.db2.gz RQXVDNFYKGLOTN-KRWDZBQOSA-N 2 2 392.425 3.535 20 0 GHADLP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc(C)[nH+]1 ZINC001465885853 1065910808 /nfs/dbraw/zinc/91/08/08/1065910808.db2.gz RQXVDNFYKGLOTN-KRWDZBQOSA-N 2 2 392.425 3.535 20 0 GHADLP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)c2)C1 ZINC001353555602 1066037106 /nfs/dbraw/zinc/03/71/06/1066037106.db2.gz IGGVWOOTIDORGT-JOCHJYFZSA-N 2 2 392.547 3.811 20 0 GHADLP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)c2)C1 ZINC001353555602 1066037120 /nfs/dbraw/zinc/03/71/20/1066037120.db2.gz IGGVWOOTIDORGT-JOCHJYFZSA-N 2 2 392.547 3.811 20 0 GHADLP Cc1cc(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cn2cc[nH+]c12 ZINC001466702077 1066266185 /nfs/dbraw/zinc/26/61/85/1066266185.db2.gz WAQZHTXUCNLHSB-HXUWFJFHSA-N 2 2 395.507 3.854 20 0 GHADLP OC1(C[NH+]2CCCCC2)CC[NH+](Cc2cc(-c3ccccc3Cl)on2)CC1 ZINC001460945712 1069290538 /nfs/dbraw/zinc/29/05/38/1069290538.db2.gz OTQCSNVTNJAVLU-UHFFFAOYSA-N 2 2 389.927 3.808 20 0 GHADLP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001470636712 1072661320 /nfs/dbraw/zinc/66/13/20/1072661320.db2.gz WTMYBQJMZVRXPD-OAQYLSRUSA-N 2 2 383.923 3.723 20 0 GHADLP CC[N@H+]1CC[C@@H]1CNc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC001472861340 1073699628 /nfs/dbraw/zinc/69/96/28/1073699628.db2.gz AGFKVAJPZNTTPI-MRXNPFEDSA-N 2 2 381.549 3.926 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001473176579 1073834601 /nfs/dbraw/zinc/83/46/01/1073834601.db2.gz XSXWRKNSIMTMLG-JOCHJYFZSA-N 2 2 393.575 3.615 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001473176579 1073834608 /nfs/dbraw/zinc/83/46/08/1073834608.db2.gz XSXWRKNSIMTMLG-JOCHJYFZSA-N 2 2 393.575 3.615 20 0 GHADLP COC(=O)c1csc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC001473456307 1073973851 /nfs/dbraw/zinc/97/38/51/1073973851.db2.gz ZRHHLVNJZDTVOX-OAHLLOKOSA-N 2 2 378.563 3.859 20 0 GHADLP COC(=O)c1csc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC001473456307 1073973854 /nfs/dbraw/zinc/97/38/54/1073973854.db2.gz ZRHHLVNJZDTVOX-OAHLLOKOSA-N 2 2 378.563 3.859 20 0 GHADLP COC(=O)c1csc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC001473456307 1073973858 /nfs/dbraw/zinc/97/38/58/1073973858.db2.gz ZRHHLVNJZDTVOX-OAHLLOKOSA-N 2 2 378.563 3.859 20 0 GHADLP COC(=O)c1csc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c1 ZINC001473456307 1073973860 /nfs/dbraw/zinc/97/38/60/1073973860.db2.gz ZRHHLVNJZDTVOX-OAHLLOKOSA-N 2 2 378.563 3.859 20 0 GHADLP CC(C)(C)OC(=O)NCCCCCCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001473467703 1073979844 /nfs/dbraw/zinc/97/98/44/1073979844.db2.gz GMQABHULFZSPTM-FQEVSTJZSA-N 2 2 397.604 3.648 20 0 GHADLP CC(C)(C)OC(=O)NCCCCCCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001473467703 1073979849 /nfs/dbraw/zinc/97/98/49/1073979849.db2.gz GMQABHULFZSPTM-FQEVSTJZSA-N 2 2 397.604 3.648 20 0 GHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cnc([C@H]4CCCO4)s3)c2)CCO1 ZINC001473955407 1074216866 /nfs/dbraw/zinc/21/68/66/1074216866.db2.gz ZRIWKZAZJHWJHO-OXJNMPFZSA-N 2 2 387.549 3.505 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnc([C@H]4CCCO4)s3)c2)CCO1 ZINC001473955407 1074216871 /nfs/dbraw/zinc/21/68/71/1074216871.db2.gz ZRIWKZAZJHWJHO-OXJNMPFZSA-N 2 2 387.549 3.505 20 0 GHADLP CCS[C@H]1CCC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001474037919 1074244224 /nfs/dbraw/zinc/24/42/24/1074244224.db2.gz ISAOVKUQRFHQPY-FPOVZHCZSA-N 2 2 378.582 3.552 20 0 GHADLP FC(F)(F)c1nc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c2n1CCCC2 ZINC001474169035 1074282304 /nfs/dbraw/zinc/28/23/04/1074282304.db2.gz SSWQLBJWVNGWTD-UHFFFAOYSA-N 2 2 389.425 3.773 20 0 GHADLP COc1ncc(Br)cc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC001474632172 1074491595 /nfs/dbraw/zinc/49/15/95/1074491595.db2.gz VOQKPRFUYHZTBQ-RDTXWAMCSA-N 2 2 396.373 3.985 20 0 GHADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC001474716606 1074531142 /nfs/dbraw/zinc/53/11/42/1074531142.db2.gz QORUIIUJLVGWEM-RLLQIKCJSA-N 2 2 390.572 3.842 20 0 GHADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)c3cn4ccccc4n3)[nH+]c12 ZINC000550902712 370700475 /nfs/dbraw/zinc/70/04/75/370700475.db2.gz WNCSFBWTNKCVRF-CQSZACIVSA-N 2 2 398.308 3.946 20 0 GHADLP Brc1cc2c(cc1C[NH+]1CCC(n3cc[nH+]c3)CC1)OCCCO2 ZINC000095992516 211292317 /nfs/dbraw/zinc/29/23/17/211292317.db2.gz HIGKRSIZBMVNBG-UHFFFAOYSA-N 2 2 392.297 3.644 20 0 GHADLP c1ccc2c(c1)CO[C@]21CC[N@@H+](CCC[NH+]2CC[C@]3(C2)OCc2ccccc23)C1 ZINC000186634421 570943112 /nfs/dbraw/zinc/94/31/12/570943112.db2.gz NTPLBOVQMJSJBJ-PLQXJYEYSA-N 2 2 390.527 3.639 20 0 GHADLP c1ccc2c(c1)CO[C@]21CC[N@H+](CCC[NH+]2CC[C@]3(C2)OCc2ccccc23)C1 ZINC000186634421 570943117 /nfs/dbraw/zinc/94/31/17/570943117.db2.gz NTPLBOVQMJSJBJ-PLQXJYEYSA-N 2 2 390.527 3.639 20 0 GHADLP c1ccc2c(c1)CO[C@]21CC[NH+](CCC[N@@H+]2CC[C@]3(C2)OCc2ccccc23)C1 ZINC000186634421 570943120 /nfs/dbraw/zinc/94/31/20/570943120.db2.gz NTPLBOVQMJSJBJ-PLQXJYEYSA-N 2 2 390.527 3.639 20 0 GHADLP c1ccc2c(c1)CO[C@]21CC[NH+](CCC[N@H+]2CC[C@]3(C2)OCc2ccccc23)C1 ZINC000186634421 570943124 /nfs/dbraw/zinc/94/31/24/570943124.db2.gz NTPLBOVQMJSJBJ-PLQXJYEYSA-N 2 2 390.527 3.639 20 0 GHADLP CCSc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000173180415 837588189 /nfs/dbraw/zinc/58/81/89/837588189.db2.gz BMTDLLNFWMXMJQ-UHFFFAOYSA-N 2 2 390.597 3.870 20 0 GHADLP C[C@H](CCc1ccc(Br)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655698028 837688289 /nfs/dbraw/zinc/68/82/89/837688289.db2.gz ZKAAGEJCIBGOET-DNVCBOLYSA-N 2 2 381.358 3.613 20 0 GHADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000583456604 834409118 /nfs/dbraw/zinc/40/91/18/834409118.db2.gz NNWJXAAHCSDZOT-CSNJMZFVSA-N 2 2 383.536 3.729 20 0 GHADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000583456604 834409125 /nfs/dbraw/zinc/40/91/25/834409125.db2.gz NNWJXAAHCSDZOT-CSNJMZFVSA-N 2 2 383.536 3.729 20 0 GHADLP Brc1ccc2ncc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)n2c1 ZINC000584401817 834528003 /nfs/dbraw/zinc/52/80/03/834528003.db2.gz HZTHWRUJUCWKCJ-UHFFFAOYSA-N 2 2 396.292 3.631 20 0 GHADLP CN(C(=O)CCc1c(Cl)cccc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654773982 834542328 /nfs/dbraw/zinc/54/23/28/834542328.db2.gz PSBSEACSQIWTNJ-MRXNPFEDSA-N 2 2 398.378 3.553 20 0 GHADLP CN(C(=O)CCc1c(Cl)cccc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654773982 834542336 /nfs/dbraw/zinc/54/23/36/834542336.db2.gz PSBSEACSQIWTNJ-MRXNPFEDSA-N 2 2 398.378 3.553 20 0 GHADLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H]1CCOC1 ZINC000151886582 834545731 /nfs/dbraw/zinc/54/57/31/834545731.db2.gz KQXZURZHPRFIIO-PXNSSMCTSA-N 2 2 399.501 3.622 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2OCC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000090942527 834614484 /nfs/dbraw/zinc/61/44/84/834614484.db2.gz LWEAOVFZDDOMDD-VQIMIIECSA-N 2 2 375.463 3.868 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2OCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000090942527 834614485 /nfs/dbraw/zinc/61/44/85/834614485.db2.gz LWEAOVFZDDOMDD-VQIMIIECSA-N 2 2 375.463 3.868 20 0 GHADLP C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458615801 834763327 /nfs/dbraw/zinc/76/33/27/834763327.db2.gz YNWKULHCJAVRQQ-ROUUACIJSA-N 2 2 398.954 3.644 20 0 GHADLP C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458615801 834763333 /nfs/dbraw/zinc/76/33/33/834763333.db2.gz YNWKULHCJAVRQQ-ROUUACIJSA-N 2 2 398.954 3.644 20 0 GHADLP COc1cccc(Sc2ccccc2C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000668740528 834907253 /nfs/dbraw/zinc/90/72/53/834907253.db2.gz UZIVCMRULRIHBW-FQEVSTJZSA-N 2 2 398.572 3.877 20 0 GHADLP COc1cccc(Sc2ccccc2C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000668740528 834907257 /nfs/dbraw/zinc/90/72/57/834907257.db2.gz UZIVCMRULRIHBW-FQEVSTJZSA-N 2 2 398.572 3.877 20 0 GHADLP Clc1ccc(N2CCC[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)c(Cl)c1 ZINC000655760445 837825455 /nfs/dbraw/zinc/82/54/55/837825455.db2.gz QGEMDVCNMKVSQW-MSOLQXFVSA-N 2 2 398.378 3.805 20 0 GHADLP C[NH+](C)[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655757667 837830749 /nfs/dbraw/zinc/83/07/49/837830749.db2.gz WROIUNCNNKYPPR-VQTJNVASSA-N 2 2 399.501 3.541 20 0 GHADLP CN(C)[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655757667 837830758 /nfs/dbraw/zinc/83/07/58/837830758.db2.gz WROIUNCNNKYPPR-VQTJNVASSA-N 2 2 399.501 3.541 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)cs2)cc1OC ZINC000685412268 834989885 /nfs/dbraw/zinc/98/98/85/834989885.db2.gz XNGVRMGALWXVRH-OAHLLOKOSA-N 2 2 384.505 3.550 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)cs2)cc1OC ZINC000685412268 834989891 /nfs/dbraw/zinc/98/98/91/834989891.db2.gz XNGVRMGALWXVRH-OAHLLOKOSA-N 2 2 384.505 3.550 20 0 GHADLP Fc1ccc(/C=C/C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000685441965 835010531 /nfs/dbraw/zinc/01/05/31/835010531.db2.gz OLCWNCDAQYRSAA-BSBODGDASA-N 2 2 379.523 3.731 20 0 GHADLP Fc1ccc(/C=C/C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000685441965 835010536 /nfs/dbraw/zinc/01/05/36/835010536.db2.gz OLCWNCDAQYRSAA-BSBODGDASA-N 2 2 379.523 3.731 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C3CCC4(CCOCC4)CC3)CC2)cc1 ZINC000583912282 835235356 /nfs/dbraw/zinc/23/53/56/835235356.db2.gz UATBYKGOVPGKTA-UHFFFAOYSA-N 2 2 399.579 3.938 20 0 GHADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cnc(C(F)(F)F)nc2)CC1 ZINC000658083066 835408898 /nfs/dbraw/zinc/40/88/98/835408898.db2.gz PSPYELWXSJBNBQ-HNNXBMFYSA-N 2 2 378.442 3.681 20 0 GHADLP Brc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)s1 ZINC000658295842 835560732 /nfs/dbraw/zinc/56/07/32/835560732.db2.gz PAZBFCUSRZNKLO-WMLDXEAASA-N 2 2 385.371 3.805 20 0 GHADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548865954 835565709 /nfs/dbraw/zinc/56/57/09/835565709.db2.gz UISFYPSNMDJMLP-SFHLNBCPSA-N 2 2 394.563 3.707 20 0 GHADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548865954 835565713 /nfs/dbraw/zinc/56/57/13/835565713.db2.gz UISFYPSNMDJMLP-SFHLNBCPSA-N 2 2 394.563 3.707 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@H]3CCc4cccnc4CC3)CC2)cc1 ZINC000421822145 835591287 /nfs/dbraw/zinc/59/12/87/835591287.db2.gz VYQPEHZVBZVBLE-DEOSSOPVSA-N 2 2 392.591 3.517 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000154405054 835653166 /nfs/dbraw/zinc/65/31/66/835653166.db2.gz YCBYRDMIXVCLKR-KSSFIOAISA-N 2 2 389.341 3.821 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC[N@H+]1C ZINC000154405054 835653172 /nfs/dbraw/zinc/65/31/72/835653172.db2.gz YCBYRDMIXVCLKR-KSSFIOAISA-N 2 2 389.341 3.821 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC[NH+]1C ZINC000154405054 835653176 /nfs/dbraw/zinc/65/31/76/835653176.db2.gz YCBYRDMIXVCLKR-KSSFIOAISA-N 2 2 389.341 3.821 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC[NH+]1C ZINC000154405054 835653179 /nfs/dbraw/zinc/65/31/79/835653179.db2.gz YCBYRDMIXVCLKR-KSSFIOAISA-N 2 2 389.341 3.821 20 0 GHADLP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000471959965 844096778 /nfs/dbraw/zinc/09/67/78/844096778.db2.gz BITCPNMIRHXIBO-CQSZACIVSA-N 2 2 386.367 3.581 20 0 GHADLP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000471959965 844096789 /nfs/dbraw/zinc/09/67/89/844096789.db2.gz BITCPNMIRHXIBO-CQSZACIVSA-N 2 2 386.367 3.581 20 0 GHADLP S=c1scc(-c2ccccc2)n1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000177136033 836022848 /nfs/dbraw/zinc/02/28/48/836022848.db2.gz SNMCQAGTMGEDDG-UHFFFAOYSA-N 2 2 389.590 3.948 20 0 GHADLP C[C@@H](c1ccc(Cl)cc1)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000180024420 836030655 /nfs/dbraw/zinc/03/06/55/836030655.db2.gz WLPZLBZNDMLERT-INIZCTEOSA-N 2 2 385.943 3.607 20 0 GHADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000180024420 836030667 /nfs/dbraw/zinc/03/06/67/836030667.db2.gz WLPZLBZNDMLERT-INIZCTEOSA-N 2 2 385.943 3.607 20 0 GHADLP C[C@@H](NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccs1 ZINC000548932077 836272055 /nfs/dbraw/zinc/27/20/55/836272055.db2.gz PIHVOPIEDQRQCL-XLIONFOSSA-N 2 2 385.577 3.816 20 0 GHADLP C[C@@H](NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccs1 ZINC000548932077 836272062 /nfs/dbraw/zinc/27/20/62/836272062.db2.gz PIHVOPIEDQRQCL-XLIONFOSSA-N 2 2 385.577 3.816 20 0 GHADLP CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000893788969 844145634 /nfs/dbraw/zinc/14/56/34/844145634.db2.gz PBTZOGOBWILMIJ-IRLDBZIGSA-N 2 2 397.567 3.615 20 0 GHADLP COC1(CC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCC1 ZINC000549709757 844146463 /nfs/dbraw/zinc/14/64/63/844146463.db2.gz QLSFZCDKZLHEIH-UHFFFAOYSA-N 2 2 382.302 3.700 20 0 GHADLP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC000582003079 844181470 /nfs/dbraw/zinc/18/14/70/844181470.db2.gz SFDGGSQOIDRZNR-LJQANCHMSA-N 2 2 378.442 3.526 20 0 GHADLP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC000582003079 844181476 /nfs/dbraw/zinc/18/14/76/844181476.db2.gz SFDGGSQOIDRZNR-LJQANCHMSA-N 2 2 378.442 3.526 20 0 GHADLP C[NH+](C)CCOc1ccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c(F)c1 ZINC000413901779 836695678 /nfs/dbraw/zinc/69/56/78/836695678.db2.gz NMYCQNWTHGHKLG-LJQANCHMSA-N 2 2 393.890 3.661 20 0 GHADLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CCO1 ZINC000668784546 836758464 /nfs/dbraw/zinc/75/84/64/836758464.db2.gz FGIPXUFMALCUEY-JOCHJYFZSA-N 2 2 398.595 3.772 20 0 GHADLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CCO1 ZINC000668784546 836758471 /nfs/dbraw/zinc/75/84/71/836758471.db2.gz FGIPXUFMALCUEY-JOCHJYFZSA-N 2 2 398.595 3.772 20 0 GHADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000431687268 836810667 /nfs/dbraw/zinc/81/06/67/836810667.db2.gz WXYSTJGTGFYDIH-FPOVZHCZSA-N 2 2 383.540 3.572 20 0 GHADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)C1 ZINC000067222879 844207352 /nfs/dbraw/zinc/20/73/52/844207352.db2.gz ODPVGNSRWSWCMU-QGZVFWFLSA-N 2 2 378.923 3.854 20 0 GHADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)C1 ZINC000067222879 844207360 /nfs/dbraw/zinc/20/73/60/844207360.db2.gz ODPVGNSRWSWCMU-QGZVFWFLSA-N 2 2 378.923 3.854 20 0 GHADLP CN(C(=O)c1ccc(C2CC2)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612961002 837022048 /nfs/dbraw/zinc/02/20/48/837022048.db2.gz VQWAOSWTLLCJHK-PKTZIBPZSA-N 2 2 383.580 3.973 20 0 GHADLP CN(C(=O)c1ccc(C2CC2)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612961002 837022056 /nfs/dbraw/zinc/02/20/56/837022056.db2.gz VQWAOSWTLLCJHK-PKTZIBPZSA-N 2 2 383.580 3.973 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000579909480 837238330 /nfs/dbraw/zinc/23/83/30/837238330.db2.gz TYEYSJDQEFGRFH-MRXNPFEDSA-N 2 2 387.911 3.592 20 0 GHADLP O=C1[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCN1c1ccc(Cl)cc1 ZINC000237702237 837309871 /nfs/dbraw/zinc/30/98/71/837309871.db2.gz VINOCHRAWPFIQH-QFIPXVFZSA-N 2 2 397.950 3.742 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655847607 838045705 /nfs/dbraw/zinc/04/57/05/838045705.db2.gz CIVYDDPQITUAAH-UXHICEINSA-N 2 2 375.944 3.551 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655847607 838045717 /nfs/dbraw/zinc/04/57/17/838045717.db2.gz CIVYDDPQITUAAH-UXHICEINSA-N 2 2 375.944 3.551 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N3CCC(C[N@@H+](C)Cc4ccccc4)CC3)ccn12 ZINC000579970711 838191878 /nfs/dbraw/zinc/19/18/78/838191878.db2.gz JGXCTMWKIOOZIN-UHFFFAOYSA-N 2 2 376.504 3.627 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N3CCC(C[N@H+](C)Cc4ccccc4)CC3)ccn12 ZINC000579970711 838191889 /nfs/dbraw/zinc/19/18/89/838191889.db2.gz JGXCTMWKIOOZIN-UHFFFAOYSA-N 2 2 376.504 3.627 20 0 GHADLP Cc1ccc2[nH]c(CNc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)cc2c1C ZINC000471471030 838347574 /nfs/dbraw/zinc/34/75/74/838347574.db2.gz LLIKBEJRWIWNER-UHFFFAOYSA-N 2 2 377.536 3.744 20 0 GHADLP C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000151840526 838530469 /nfs/dbraw/zinc/53/04/69/838530469.db2.gz FBIIZHAPVIPLCV-UGKGYDQZSA-N 2 2 395.551 3.662 20 0 GHADLP Brc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000124523161 838624383 /nfs/dbraw/zinc/62/43/83/838624383.db2.gz JBDANMPNTATOGZ-LSDHHAIUSA-N 2 2 388.147 3.928 20 0 GHADLP Brc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1Br ZINC000124523161 838624388 /nfs/dbraw/zinc/62/43/88/838624388.db2.gz JBDANMPNTATOGZ-LSDHHAIUSA-N 2 2 388.147 3.928 20 0 GHADLP Brc1ccc(-c2c[nH]c(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000415057089 839140183 /nfs/dbraw/zinc/14/01/83/839140183.db2.gz TWGPUWQSQYXYJH-YJBOKZPZSA-N 2 2 389.341 3.803 20 0 GHADLP Brc1ccc(-c2c[nH]c(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000415057089 839140189 /nfs/dbraw/zinc/14/01/89/839140189.db2.gz TWGPUWQSQYXYJH-YJBOKZPZSA-N 2 2 389.341 3.803 20 0 GHADLP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(OC)c(OC)c1 ZINC000163712387 839232142 /nfs/dbraw/zinc/23/21/42/839232142.db2.gz BAHCJKLJSXTBFR-OAQYLSRUSA-N 2 2 384.520 3.777 20 0 GHADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000655353573 839332113 /nfs/dbraw/zinc/33/21/13/839332113.db2.gz UOSPIMDGVCJFCV-CEWLAPEOSA-N 2 2 384.568 3.626 20 0 GHADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000655353573 839332125 /nfs/dbraw/zinc/33/21/25/839332125.db2.gz UOSPIMDGVCJFCV-CEWLAPEOSA-N 2 2 384.568 3.626 20 0 GHADLP CCc1cnc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)s1 ZINC000544112211 839388675 /nfs/dbraw/zinc/38/86/75/839388675.db2.gz VARZQVWERAIWBU-OAHLLOKOSA-N 2 2 376.545 3.837 20 0 GHADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000473005857 839515865 /nfs/dbraw/zinc/51/58/65/839515865.db2.gz BJAHLRNPVKAISU-PKTZIBPZSA-N 2 2 379.548 3.908 20 0 GHADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000473005857 839515868 /nfs/dbraw/zinc/51/58/68/839515868.db2.gz BJAHLRNPVKAISU-PKTZIBPZSA-N 2 2 379.548 3.908 20 0 GHADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000473005857 839515874 /nfs/dbraw/zinc/51/58/74/839515874.db2.gz BJAHLRNPVKAISU-PKTZIBPZSA-N 2 2 379.548 3.908 20 0 GHADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000473005857 839515881 /nfs/dbraw/zinc/51/58/81/839515881.db2.gz BJAHLRNPVKAISU-PKTZIBPZSA-N 2 2 379.548 3.908 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000656262787 839913312 /nfs/dbraw/zinc/91/33/12/839913312.db2.gz ZGMOWCPSBZPTIW-KDOFPFPSSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000656262787 839913321 /nfs/dbraw/zinc/91/33/21/839913321.db2.gz ZGMOWCPSBZPTIW-KDOFPFPSSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000656262787 839913331 /nfs/dbraw/zinc/91/33/31/839913331.db2.gz ZGMOWCPSBZPTIW-KDOFPFPSSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000656262787 839913336 /nfs/dbraw/zinc/91/33/36/839913336.db2.gz ZGMOWCPSBZPTIW-KDOFPFPSSA-N 2 2 391.357 3.715 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000429800712 840175201 /nfs/dbraw/zinc/17/52/01/840175201.db2.gz JQYRIRUSTWQBME-KSSFIOAISA-N 2 2 386.367 3.614 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000429800712 840175211 /nfs/dbraw/zinc/17/52/11/840175211.db2.gz JQYRIRUSTWQBME-KSSFIOAISA-N 2 2 386.367 3.614 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000429800712 840175217 /nfs/dbraw/zinc/17/52/17/840175217.db2.gz JQYRIRUSTWQBME-KSSFIOAISA-N 2 2 386.367 3.614 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000429800712 840175226 /nfs/dbraw/zinc/17/52/26/840175226.db2.gz JQYRIRUSTWQBME-KSSFIOAISA-N 2 2 386.367 3.614 20 0 GHADLP COc1ccc(Br)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535809079 844512303 /nfs/dbraw/zinc/51/23/03/844512303.db2.gz FGZSBGBAZDSORY-KUHUBIRLSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535809079 844512309 /nfs/dbraw/zinc/51/23/09/844512309.db2.gz FGZSBGBAZDSORY-KUHUBIRLSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000535809079 844512313 /nfs/dbraw/zinc/51/23/13/844512313.db2.gz FGZSBGBAZDSORY-KUHUBIRLSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000535809079 844512320 /nfs/dbraw/zinc/51/23/20/844512320.db2.gz FGZSBGBAZDSORY-KUHUBIRLSA-N 2 2 379.342 3.906 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC[C@@H]1Sc2ccccc2NC1=O ZINC000660125446 840316181 /nfs/dbraw/zinc/31/61/81/840316181.db2.gz IHMZMGMFBWQMAB-FQEVSTJZSA-N 2 2 383.561 3.990 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC[C@@H]1Sc2ccccc2NC1=O ZINC000660125446 840316195 /nfs/dbraw/zinc/31/61/95/840316195.db2.gz IHMZMGMFBWQMAB-FQEVSTJZSA-N 2 2 383.561 3.990 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000581048331 840639660 /nfs/dbraw/zinc/63/96/60/840639660.db2.gz NKBYGOJZAAZLBH-JOCHJYFZSA-N 2 2 393.531 3.817 20 0 GHADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000581168184 840816592 /nfs/dbraw/zinc/81/65/92/840816592.db2.gz MPVSCKNRUYQHDG-OFNKIYASSA-N 2 2 395.547 3.593 20 0 GHADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000581168184 840816604 /nfs/dbraw/zinc/81/66/04/840816604.db2.gz MPVSCKNRUYQHDG-OFNKIYASSA-N 2 2 395.547 3.593 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)CC1 ZINC000581368701 841173737 /nfs/dbraw/zinc/17/37/37/841173737.db2.gz YCUJWDBKBIVJDG-QGZVFWFLSA-N 2 2 396.560 3.571 20 0 GHADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000651669128 841273968 /nfs/dbraw/zinc/27/39/68/841273968.db2.gz GTULGIUZTOYDRA-UHFFFAOYSA-N 2 2 390.531 3.611 20 0 GHADLP CC1(C)C[C@H]([NH2+]CCCc2nnc3n2CCCCC3)C[N@@H+]1Cc1ccccc1 ZINC000090184752 841720685 /nfs/dbraw/zinc/72/06/85/841720685.db2.gz MSUPWLNDUVPARC-FQEVSTJZSA-N 2 2 381.568 3.580 20 0 GHADLP CC1(C)C[C@H]([NH2+]CCCc2nnc3n2CCCCC3)C[N@H+]1Cc1ccccc1 ZINC000090184752 841720693 /nfs/dbraw/zinc/72/06/93/841720693.db2.gz MSUPWLNDUVPARC-FQEVSTJZSA-N 2 2 381.568 3.580 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045865004 841839766 /nfs/dbraw/zinc/83/97/66/841839766.db2.gz PKQBQGTYXNATLK-UHFFFAOYSA-N 2 2 395.551 3.523 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893487729 842038647 /nfs/dbraw/zinc/03/86/47/842038647.db2.gz MBIMLBRICCJTGL-CVEARBPZSA-N 2 2 389.544 3.566 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487729 842038661 /nfs/dbraw/zinc/03/86/61/842038661.db2.gz MBIMLBRICCJTGL-CVEARBPZSA-N 2 2 389.544 3.566 20 0 GHADLP CN1CC[C@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000512006214 842098664 /nfs/dbraw/zinc/09/86/64/842098664.db2.gz GJNGFJFPKLQEMH-AUUYWEPGSA-N 2 2 396.963 3.780 20 0 GHADLP FC(F)(F)c1ccc(-n2cc(C[NH2+]CCCNc3cccc[nH+]3)cn2)cc1 ZINC000512005320 842102988 /nfs/dbraw/zinc/10/29/88/842102988.db2.gz DAYGIZDRBFQPMB-UHFFFAOYSA-N 2 2 375.398 3.878 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3c(F)cccc3Br)[nH+]c2)C1 ZINC000474874550 861273909 /nfs/dbraw/zinc/27/39/09/861273909.db2.gz DFGJNOFAHMVYPH-CQSZACIVSA-N 2 2 393.304 3.736 20 0 GHADLP CC(C)[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1nnc2ccccn21 ZINC000155583426 842136776 /nfs/dbraw/zinc/13/67/76/842136776.db2.gz NSUDEQIKYHQWDL-QFIPXVFZSA-N 2 2 395.526 3.862 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CCCO1 ZINC000432357456 842160239 /nfs/dbraw/zinc/16/02/39/842160239.db2.gz LCWNBFMQDSEKEJ-HXUWFJFHSA-N 2 2 398.595 3.819 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CCCO1 ZINC000432357456 842160244 /nfs/dbraw/zinc/16/02/44/842160244.db2.gz LCWNBFMQDSEKEJ-HXUWFJFHSA-N 2 2 398.595 3.819 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(Cl)ccc1Br)CC2 ZINC001137524989 842215503 /nfs/dbraw/zinc/21/55/03/842215503.db2.gz BHSQARSTVVKZDB-UHFFFAOYSA-N 2 2 386.721 3.733 20 0 GHADLP O=C(NCc1ccn2cc[nH+]c2c1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000177954955 861288227 /nfs/dbraw/zinc/28/82/27/861288227.db2.gz OIXNFRUURVWXNR-UHFFFAOYSA-N 2 2 391.519 3.710 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000066986607 842262804 /nfs/dbraw/zinc/26/28/04/842262804.db2.gz BBUZTOBLLIZVMC-IBGZPJMESA-N 2 2 395.532 3.570 20 0 GHADLP CN(C(=O)C(C1CCC1)C1CCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000581847374 842283689 /nfs/dbraw/zinc/28/36/89/842283689.db2.gz HEHOLGFLIBBCJF-FCHUYYIVSA-N 2 2 389.628 3.998 20 0 GHADLP CN(C(=O)C(C1CCC1)C1CCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000581847374 842283696 /nfs/dbraw/zinc/28/36/96/842283696.db2.gz HEHOLGFLIBBCJF-FCHUYYIVSA-N 2 2 389.628 3.998 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)[C@H]1CC[NH3+] ZINC000652354588 842352710 /nfs/dbraw/zinc/35/27/10/842352710.db2.gz CMWAFZFHLIJWHG-JQWIXIFHSA-N 2 2 385.331 3.510 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)[C@H]1CC[NH3+] ZINC000652354588 842352716 /nfs/dbraw/zinc/35/27/16/842352716.db2.gz CMWAFZFHLIJWHG-JQWIXIFHSA-N 2 2 385.331 3.510 20 0 GHADLP Cc1[nH+]c[nH]c1CC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000278994965 842445547 /nfs/dbraw/zinc/44/55/47/842445547.db2.gz ZVZMYFQFNCNKBV-UHFFFAOYSA-N 2 2 383.323 3.548 20 0 GHADLP O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000326400177 842517466 /nfs/dbraw/zinc/51/74/66/842517466.db2.gz HQLPNHBLKIABPO-UHFFFAOYSA-N 2 2 391.269 3.511 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)s1 ZINC000512112601 842534409 /nfs/dbraw/zinc/53/44/09/842534409.db2.gz FEWBPNVSNZPREF-GOSISDBHSA-N 2 2 378.973 3.785 20 0 GHADLP COc1cccc(C([NH2+]C2CC[NH+](CC(C)(C)O)CC2)c2cccc(OC)c2)c1 ZINC000638721691 842559880 /nfs/dbraw/zinc/55/98/80/842559880.db2.gz MJEHVRUQCCHQQU-UHFFFAOYSA-N 2 2 398.547 3.618 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000648162177 842649013 /nfs/dbraw/zinc/64/90/13/842649013.db2.gz MXMLIPJSNJAVGQ-RCCFBDPRSA-N 2 2 378.303 3.555 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000648162177 842649020 /nfs/dbraw/zinc/64/90/20/842649020.db2.gz MXMLIPJSNJAVGQ-RCCFBDPRSA-N 2 2 378.303 3.555 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1cccn1C1CC[NH2+]CC1 ZINC000648165007 842713284 /nfs/dbraw/zinc/71/32/84/842713284.db2.gz UQDHMGGVJXSTAP-UHFFFAOYSA-N 2 2 387.487 3.580 20 0 GHADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(OCC(F)(F)F)c1Br ZINC000662264812 843031878 /nfs/dbraw/zinc/03/18/78/843031878.db2.gz MMAYTVGHUIBFKB-MNOVXSKESA-N 2 2 381.236 3.559 20 0 GHADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(OCC(F)(F)F)c1Br ZINC000662264812 843031886 /nfs/dbraw/zinc/03/18/86/843031886.db2.gz MMAYTVGHUIBFKB-MNOVXSKESA-N 2 2 381.236 3.559 20 0 GHADLP CC[C@@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)CC[C@H]1[NH3+] ZINC000662271696 843048581 /nfs/dbraw/zinc/04/85/81/843048581.db2.gz YIOHZNZYUVFDNL-DGCLKSJQSA-N 2 2 395.263 3.949 20 0 GHADLP CC[C@@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)CC[C@H]1[NH3+] ZINC000662271696 843048590 /nfs/dbraw/zinc/04/85/90/843048590.db2.gz YIOHZNZYUVFDNL-DGCLKSJQSA-N 2 2 395.263 3.949 20 0 GHADLP CC(CC[NH+]1CCC[C@@H](c2cc[nH]n2)C1)CC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000662504955 843350353 /nfs/dbraw/zinc/35/03/53/843350353.db2.gz NNOMFXZPGXLNEX-WOJBJXKFSA-N 2 2 384.572 3.608 20 0 GHADLP CC(CC[NH+]1CCC[C@@H](c2cc[nH]n2)C1)CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000662504955 843350361 /nfs/dbraw/zinc/35/03/61/843350361.db2.gz NNOMFXZPGXLNEX-WOJBJXKFSA-N 2 2 384.572 3.608 20 0 GHADLP CC(CC[NH+]1CCC[C@@H](c2ccn[nH]2)C1)CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000662504955 843350367 /nfs/dbraw/zinc/35/03/67/843350367.db2.gz NNOMFXZPGXLNEX-WOJBJXKFSA-N 2 2 384.572 3.608 20 0 GHADLP CC(CC[NH+]1CCC[C@@H](c2ccn[nH]2)C1)CC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000662504955 843350375 /nfs/dbraw/zinc/35/03/75/843350375.db2.gz NNOMFXZPGXLNEX-WOJBJXKFSA-N 2 2 384.572 3.608 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)oc1ccccc12 ZINC000512312569 843362464 /nfs/dbraw/zinc/36/24/64/843362464.db2.gz IBPXFJXWOBYBMA-UHFFFAOYSA-N 2 2 379.504 3.684 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)oc1ccccc12 ZINC000512312569 843362481 /nfs/dbraw/zinc/36/24/81/843362481.db2.gz IBPXFJXWOBYBMA-UHFFFAOYSA-N 2 2 379.504 3.684 20 0 GHADLP c1cc(C[N@H+](Cc2csc(-c3ncccn3)n2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000432672110 843402299 /nfs/dbraw/zinc/40/22/99/843402299.db2.gz SCYXEFXBPQYIJO-QGZVFWFLSA-N 2 2 397.573 3.806 20 0 GHADLP c1cc(C[N@@H+](Cc2csc(-c3ncccn3)n2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000432672110 843402307 /nfs/dbraw/zinc/40/23/07/843402307.db2.gz SCYXEFXBPQYIJO-QGZVFWFLSA-N 2 2 397.573 3.806 20 0 GHADLP O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052003921 843842943 /nfs/dbraw/zinc/84/29/43/843842943.db2.gz SQTRCSHYVJFKAC-INIZCTEOSA-N 2 2 387.351 3.683 20 0 GHADLP CC(C)[C@@H](C[NH2+]Cc1ccccc1N1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000236699308 843870579 /nfs/dbraw/zinc/87/05/79/843870579.db2.gz GFJPVPQUUMSFNN-RUZDIDTESA-N 2 2 393.575 3.696 20 0 GHADLP CC(C)[C@@H](C[NH2+]Cc1ccccc1N1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000236699308 843870585 /nfs/dbraw/zinc/87/05/85/843870585.db2.gz GFJPVPQUUMSFNN-RUZDIDTESA-N 2 2 393.575 3.696 20 0 GHADLP CN(C(=O)[C@H]1CC12CCCCC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535853060 844797775 /nfs/dbraw/zinc/79/77/75/844797775.db2.gz ACJUEDRNHSGEDJ-NJDAHSKKSA-N 2 2 375.601 3.752 20 0 GHADLP CN(C(=O)[C@H]1CC12CCCCC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535853060 844797786 /nfs/dbraw/zinc/79/77/86/844797786.db2.gz ACJUEDRNHSGEDJ-NJDAHSKKSA-N 2 2 375.601 3.752 20 0 GHADLP COCC[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000237125587 845707857 /nfs/dbraw/zinc/70/78/57/845707857.db2.gz KWTPKICPOAVLSH-UHFFFAOYSA-N 2 2 393.325 3.910 20 0 GHADLP CC(C)n1ncc2cc(C[N@H+](C)C[C@@H]3CC[NH+](C)[C@H]3c3cccnc3)cnc21 ZINC000434015338 845729150 /nfs/dbraw/zinc/72/91/50/845729150.db2.gz ZGAFTQAUYUQEMS-FPOVZHCZSA-N 2 2 378.524 3.532 20 0 GHADLP CC(C)n1ncc2cc(C[N@@H+](C)C[C@@H]3CC[NH+](C)[C@H]3c3cccnc3)cnc21 ZINC000434015338 845729159 /nfs/dbraw/zinc/72/91/59/845729159.db2.gz ZGAFTQAUYUQEMS-FPOVZHCZSA-N 2 2 378.524 3.532 20 0 GHADLP CC(C)n1ncc2cc(C[NH+](C)C[C@@H]3CC[N@H+](C)[C@H]3c3cccnc3)cnc21 ZINC000434015338 845729164 /nfs/dbraw/zinc/72/91/64/845729164.db2.gz ZGAFTQAUYUQEMS-FPOVZHCZSA-N 2 2 378.524 3.532 20 0 GHADLP CC(C)n1ncc2cc(C[NH+](C)C[C@@H]3CC[N@@H+](C)[C@H]3c3cccnc3)cnc21 ZINC000434015338 845729172 /nfs/dbraw/zinc/72/91/72/845729172.db2.gz ZGAFTQAUYUQEMS-FPOVZHCZSA-N 2 2 378.524 3.532 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000731498828 861664691 /nfs/dbraw/zinc/66/46/91/861664691.db2.gz SFXUUAFXWXKHGP-QFIPXVFZSA-N 2 2 395.551 3.716 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000731498828 861664698 /nfs/dbraw/zinc/66/46/98/861664698.db2.gz SFXUUAFXWXKHGP-QFIPXVFZSA-N 2 2 395.551 3.716 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc(OCC=C(C)C)c3)CC2)CC1 ZINC000422010197 846749065 /nfs/dbraw/zinc/74/90/65/846749065.db2.gz BQCIVNGKEUUTHP-UHFFFAOYSA-N 2 2 399.579 3.664 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc(OCC=C(C)C)c3)CC2)CC1 ZINC000422010197 846749068 /nfs/dbraw/zinc/74/90/68/846749068.db2.gz BQCIVNGKEUUTHP-UHFFFAOYSA-N 2 2 399.579 3.664 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)NCC2(c3ccc(F)cc3)CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000503053404 846769753 /nfs/dbraw/zinc/76/97/53/846769753.db2.gz PKRGHVBZYUJQHW-GHTZIAJQSA-N 2 2 398.526 3.533 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)NCC2(c3ccc(F)cc3)CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000503053404 846769759 /nfs/dbraw/zinc/76/97/59/846769759.db2.gz PKRGHVBZYUJQHW-GHTZIAJQSA-N 2 2 398.526 3.533 20 0 GHADLP c1nn(-c2ccccc2)c2nc[nH+]c(NCC3CCN(c4cc[nH+]cc4)CC3)c12 ZINC000179708454 861719740 /nfs/dbraw/zinc/71/97/40/861719740.db2.gz LMIUSRVWUIVVGH-UHFFFAOYSA-N 2 2 385.475 3.539 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ncc(Br)s1 ZINC000272150798 847003408 /nfs/dbraw/zinc/00/34/08/847003408.db2.gz ALXAMCHMUDCIPO-AAEUAGOBSA-N 2 2 396.358 3.614 20 0 GHADLP COc1ccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(OC)c1 ZINC000272194329 847013558 /nfs/dbraw/zinc/01/35/58/847013558.db2.gz HUOQKYAKCGNHQZ-MRXNPFEDSA-N 2 2 384.524 3.802 20 0 GHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(-n2ccnc2)cc1 ZINC000272309099 847043611 /nfs/dbraw/zinc/04/36/11/847043611.db2.gz SUPKNZRUAZZYTH-GOSISDBHSA-N 2 2 390.535 3.971 20 0 GHADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000420349386 847146820 /nfs/dbraw/zinc/14/68/20/847146820.db2.gz CSIIRAMOQJAYPG-LBPRGKRZSA-N 2 2 380.323 3.629 20 0 GHADLP Brc1cc2c(cc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)OCCCO2 ZINC000420378066 847147955 /nfs/dbraw/zinc/14/79/55/847147955.db2.gz BBPZGXHNJBRUSF-YOEHRIQHSA-N 2 2 395.341 3.574 20 0 GHADLP Brc1cc2c(cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)OCCCO2 ZINC000420378066 847147960 /nfs/dbraw/zinc/14/79/60/847147960.db2.gz BBPZGXHNJBRUSF-YOEHRIQHSA-N 2 2 395.341 3.574 20 0 GHADLP COC(=O)c1cccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)c1 ZINC000420403338 847168384 /nfs/dbraw/zinc/16/83/84/847168384.db2.gz RDHJDABVGLSUAM-PKOBYXMFSA-N 2 2 385.533 3.561 20 0 GHADLP COC(=O)c1cccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)c1 ZINC000420403338 847168389 /nfs/dbraw/zinc/16/83/89/847168389.db2.gz RDHJDABVGLSUAM-PKOBYXMFSA-N 2 2 385.533 3.561 20 0 GHADLP CC(=O)Nc1ccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000272779832 847170564 /nfs/dbraw/zinc/17/05/64/847170564.db2.gz VLCCRZVKKZSWBR-MRXNPFEDSA-N 2 2 381.524 3.744 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)c3cccc(C4CC4)c3)CC2)CC1 ZINC000422217830 847476620 /nfs/dbraw/zinc/47/66/20/847476620.db2.gz XRQIOKWEKLEISM-LJQANCHMSA-N 2 2 398.595 3.827 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](C)c3cccc(C4CC4)c3)CC2)CC1 ZINC000422217830 847476628 /nfs/dbraw/zinc/47/66/28/847476628.db2.gz XRQIOKWEKLEISM-LJQANCHMSA-N 2 2 398.595 3.827 20 0 GHADLP CN(C(=O)c1cc(Cl)cc2ccccc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668618670 847477877 /nfs/dbraw/zinc/47/78/77/847477877.db2.gz RYABYYXJJFVUMT-LJQANCHMSA-N 2 2 385.939 3.734 20 0 GHADLP CN(C(=O)c1cc(Cl)cc2ccccc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668618670 847477879 /nfs/dbraw/zinc/47/78/79/847477879.db2.gz RYABYYXJJFVUMT-LJQANCHMSA-N 2 2 385.939 3.734 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)c3cccc(C)c3C)CC2)CC1 ZINC000422240158 847485789 /nfs/dbraw/zinc/48/57/89/847485789.db2.gz VGEHTBNPJHFMGS-HXUWFJFHSA-N 2 2 386.584 3.566 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](C)c3cccc(C)c3C)CC2)CC1 ZINC000422240158 847485790 /nfs/dbraw/zinc/48/57/90/847485790.db2.gz VGEHTBNPJHFMGS-HXUWFJFHSA-N 2 2 386.584 3.566 20 0 GHADLP Cc1cc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc(C)[nH+]1 ZINC000420869325 847511651 /nfs/dbraw/zinc/51/16/51/847511651.db2.gz UQEKLIBXLRQINR-OAQYLSRUSA-N 2 2 380.536 3.798 20 0 GHADLP Cc1cc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc(C)[nH+]1 ZINC000420869325 847511654 /nfs/dbraw/zinc/51/16/54/847511654.db2.gz UQEKLIBXLRQINR-OAQYLSRUSA-N 2 2 380.536 3.798 20 0 GHADLP Clc1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000420913389 847532099 /nfs/dbraw/zinc/53/20/99/847532099.db2.gz AZHWDUTWYAHIRT-YADHBBJMSA-N 2 2 386.923 3.792 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(Br)ccc3F)CC2)CC1 ZINC000420983675 847590498 /nfs/dbraw/zinc/59/04/98/847590498.db2.gz RERGYVIFRONETM-UHFFFAOYSA-N 2 2 398.364 3.580 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(Br)ccc3F)CC2)CC1 ZINC000420983675 847590501 /nfs/dbraw/zinc/59/05/01/847590501.db2.gz RERGYVIFRONETM-UHFFFAOYSA-N 2 2 398.364 3.580 20 0 GHADLP c1ccc([C@@H]2[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC23CCOCC3)cc1 ZINC000420973007 847599932 /nfs/dbraw/zinc/59/99/32/847599932.db2.gz MUUVVESQLVUAQK-DEOSSOPVSA-N 2 2 392.543 3.873 20 0 GHADLP c1ccc([C@@H]2[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC23CCOCC3)cc1 ZINC000420973007 847599943 /nfs/dbraw/zinc/59/99/43/847599943.db2.gz MUUVVESQLVUAQK-DEOSSOPVSA-N 2 2 392.543 3.873 20 0 GHADLP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000503411812 847677541 /nfs/dbraw/zinc/67/75/41/847677541.db2.gz QQKIFYBKOCTECB-RBUKOAKNSA-N 2 2 380.536 3.840 20 0 GHADLP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000503411812 847677547 /nfs/dbraw/zinc/67/75/47/847677547.db2.gz QQKIFYBKOCTECB-RBUKOAKNSA-N 2 2 380.536 3.840 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc4ccsc43)CC2)CC1 ZINC000421091554 847710551 /nfs/dbraw/zinc/71/05/51/847710551.db2.gz VKXOQPUJWRJEBC-UHFFFAOYSA-N 2 2 386.565 3.925 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc4ccsc43)CC2)CC1 ZINC000421091554 847710559 /nfs/dbraw/zinc/71/05/59/847710559.db2.gz VKXOQPUJWRJEBC-UHFFFAOYSA-N 2 2 386.565 3.925 20 0 GHADLP CCc1ccc(NC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)cc1CC ZINC000421099858 847743582 /nfs/dbraw/zinc/74/35/82/847743582.db2.gz ZOFIJNOFCKJKGV-UHFFFAOYSA-N 2 2 386.584 3.835 20 0 GHADLP CCc1ccc(NC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)cc1CC ZINC000421099858 847743584 /nfs/dbraw/zinc/74/35/84/847743584.db2.gz ZOFIJNOFCKJKGV-UHFFFAOYSA-N 2 2 386.584 3.835 20 0 GHADLP CCCOc1ccc(Oc2ncccc2C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000422697965 847772394 /nfs/dbraw/zinc/77/23/94/847772394.db2.gz WZMMVXYIQDDOFV-HKUYNNGSSA-N 2 2 385.508 3.519 20 0 GHADLP Brc1cccc2c1OCC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000502356346 847791839 /nfs/dbraw/zinc/79/18/39/847791839.db2.gz TTWVNLFHASUSGP-QGZVFWFLSA-N 2 2 388.309 3.926 20 0 GHADLP CC[C@H]1C[C@H](C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC000503582299 847803065 /nfs/dbraw/zinc/80/30/65/847803065.db2.gz YHKKRNYPJXDULC-NQIIRXRSSA-N 2 2 379.976 3.647 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422739215 847803891 /nfs/dbraw/zinc/80/38/91/847803891.db2.gz KTKFQTJFMHAUCJ-SSKFGXFMSA-N 3 2 382.527 3.763 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@H]2CCN(c3cccc(OC)c3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422898345 847877997 /nfs/dbraw/zinc/87/79/97/847877997.db2.gz DTXCGIRYRYPAJN-QFWMQHCXSA-N 2 2 395.547 3.613 20 0 GHADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000423009264 847936022 /nfs/dbraw/zinc/93/60/22/847936022.db2.gz VJWWRCFRCDTSHW-DVECYGJZSA-N 3 2 377.532 3.960 20 0 GHADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000423009264 847936026 /nfs/dbraw/zinc/93/60/26/847936026.db2.gz VJWWRCFRCDTSHW-DVECYGJZSA-N 3 2 377.532 3.960 20 0 GHADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000423009264 847936030 /nfs/dbraw/zinc/93/60/30/847936030.db2.gz VJWWRCFRCDTSHW-DVECYGJZSA-N 2 2 377.532 3.960 20 0 GHADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000423009264 847936035 /nfs/dbraw/zinc/93/60/35/847936035.db2.gz VJWWRCFRCDTSHW-DVECYGJZSA-N 2 2 377.532 3.960 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423061849 847957633 /nfs/dbraw/zinc/95/76/33/847957633.db2.gz ROFOBRGCXVSKES-NQYYFHDYSA-N 2 2 386.458 3.562 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)[C@@H]2CCC[NH2+]2)cc1 ZINC000423070895 847962216 /nfs/dbraw/zinc/96/22/16/847962216.db2.gz GVWYEMPLQDBPPO-JMBSJVKXSA-N 2 2 382.548 3.708 20 0 GHADLP Brc1cc2c(c(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)c1)OCC2 ZINC000423052176 847966051 /nfs/dbraw/zinc/96/60/51/847966051.db2.gz PYFDZQPHCQGSBD-RTBURBONSA-N 2 2 387.321 3.967 20 0 GHADLP CCN(CC)C(=O)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000116387162 847985468 /nfs/dbraw/zinc/98/54/68/847985468.db2.gz YTLJKKKJWAADEG-QHCPKHFHSA-N 2 2 379.548 3.982 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000116443540 847995202 /nfs/dbraw/zinc/99/52/02/847995202.db2.gz NBBHSJPLJDDSHY-FQEVSTJZSA-N 2 2 392.478 3.540 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000116443540 847995210 /nfs/dbraw/zinc/99/52/10/847995210.db2.gz NBBHSJPLJDDSHY-FQEVSTJZSA-N 2 2 392.478 3.540 20 0 GHADLP CCC(CC)[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000604178029 861935894 /nfs/dbraw/zinc/93/58/94/861935894.db2.gz DIEBPUOKZUOTLU-XLIONFOSSA-N 2 2 392.613 3.693 20 0 GHADLP CCC(CC)[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000604178029 861935898 /nfs/dbraw/zinc/93/58/98/861935898.db2.gz DIEBPUOKZUOTLU-XLIONFOSSA-N 2 2 392.613 3.693 20 0 GHADLP [NH3+][C@H](CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000237872372 848754104 /nfs/dbraw/zinc/75/41/04/848754104.db2.gz HBFYYXFWAVQWSX-AZUAARDMSA-N 2 2 389.902 3.650 20 0 GHADLP [NH3+][C@H](CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000237872372 848754110 /nfs/dbraw/zinc/75/41/10/848754110.db2.gz HBFYYXFWAVQWSX-AZUAARDMSA-N 2 2 389.902 3.650 20 0 GHADLP Cc1sc2nc([C@@H](C)[NH+]3CCC(CCC[NH+](C)C)CC3)[nH]c(=O)c2c1C ZINC000123296397 849096959 /nfs/dbraw/zinc/09/69/59/849096959.db2.gz QUYONFFTNCZSPW-CQSZACIVSA-N 2 2 376.570 3.716 20 0 GHADLP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCn1cc[nH+]c1C ZINC000052120064 849138052 /nfs/dbraw/zinc/13/80/52/849138052.db2.gz MBNDXKSQZYGUBT-UHFFFAOYSA-N 2 2 378.307 3.841 20 0 GHADLP CCCN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H](CC)c1ccccc1 ZINC000604208945 861993614 /nfs/dbraw/zinc/99/36/14/861993614.db2.gz KZKLNFYHRDHRDK-IFMALSPDSA-N 2 2 386.584 3.728 20 0 GHADLP CCCN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H](CC)c1ccccc1 ZINC000604208945 861993618 /nfs/dbraw/zinc/99/36/18/861993618.db2.gz KZKLNFYHRDHRDK-IFMALSPDSA-N 2 2 386.584 3.728 20 0 GHADLP CCCCN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H](C)c1ccc(C)o1 ZINC000604208753 861993833 /nfs/dbraw/zinc/99/38/33/861993833.db2.gz MNCXPEYLDGLTGU-RBUKOAKNSA-N 2 2 390.572 3.629 20 0 GHADLP CCCCN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H](C)c1ccc(C)o1 ZINC000604208753 861993844 /nfs/dbraw/zinc/99/38/44/861993844.db2.gz MNCXPEYLDGLTGU-RBUKOAKNSA-N 2 2 390.572 3.629 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1ccc(Br)cc1OCCCO ZINC000423122030 849748532 /nfs/dbraw/zinc/74/85/32/849748532.db2.gz BVHBSOKXAKSUTR-RRQGHBQHSA-N 2 2 385.346 3.521 20 0 GHADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1=O ZINC000423138059 849771400 /nfs/dbraw/zinc/77/14/00/849771400.db2.gz RXKFCOLZZLDZSR-FUAMJQMHSA-N 2 2 395.522 3.961 20 0 GHADLP O=C(NCC1CC[NH+](C2CC2)CC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000278253654 849895309 /nfs/dbraw/zinc/89/53/09/849895309.db2.gz WFMMBBBLEFRNOO-UHFFFAOYSA-N 2 2 391.519 3.598 20 0 GHADLP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000583434246 849896179 /nfs/dbraw/zinc/89/61/79/849896179.db2.gz BRPQQXBGDDZGLU-NZQKXSOJSA-N 2 2 380.532 3.953 20 0 GHADLP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000583434246 849896190 /nfs/dbraw/zinc/89/61/90/849896190.db2.gz BRPQQXBGDDZGLU-NZQKXSOJSA-N 2 2 380.532 3.953 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000504209658 849960621 /nfs/dbraw/zinc/96/06/21/849960621.db2.gz GZFKYRHYLFIERT-UQASEVPWSA-N 2 2 397.485 3.620 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000504209658 849960627 /nfs/dbraw/zinc/96/06/27/849960627.db2.gz GZFKYRHYLFIERT-UQASEVPWSA-N 2 2 397.485 3.620 20 0 GHADLP CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000504209658 849960631 /nfs/dbraw/zinc/96/06/31/849960631.db2.gz GZFKYRHYLFIERT-UQASEVPWSA-N 2 2 397.485 3.620 20 0 GHADLP CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000504209658 849960635 /nfs/dbraw/zinc/96/06/35/849960635.db2.gz GZFKYRHYLFIERT-UQASEVPWSA-N 2 2 397.485 3.620 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(CN3CCC(c4[nH+]cc5n4CCCC5)CC3)sc2C1 ZINC000435057102 850030973 /nfs/dbraw/zinc/03/09/73/850030973.db2.gz BBEDAGRFFMHRKE-UHFFFAOYSA-N 2 2 399.608 3.822 20 0 GHADLP CC(C)[N@H+]1CCc2nc(CN3CCC(c4[nH+]cc5n4CCCC5)CC3)sc2C1 ZINC000435057102 850030981 /nfs/dbraw/zinc/03/09/81/850030981.db2.gz BBEDAGRFFMHRKE-UHFFFAOYSA-N 2 2 399.608 3.822 20 0 GHADLP COC(=O)c1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)c(C)o1 ZINC000518778429 850084939 /nfs/dbraw/zinc/08/49/39/850084939.db2.gz NZPSJOWHAYGOIR-INIZCTEOSA-N 2 2 376.522 3.698 20 0 GHADLP COC(=O)c1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)c(C)o1 ZINC000518778429 850084948 /nfs/dbraw/zinc/08/49/48/850084948.db2.gz NZPSJOWHAYGOIR-INIZCTEOSA-N 2 2 376.522 3.698 20 0 GHADLP COC(=O)c1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)c(C)o1 ZINC000518778429 850084953 /nfs/dbraw/zinc/08/49/53/850084953.db2.gz NZPSJOWHAYGOIR-INIZCTEOSA-N 2 2 376.522 3.698 20 0 GHADLP COC(=O)c1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c(C)o1 ZINC000518778429 850084963 /nfs/dbraw/zinc/08/49/63/850084963.db2.gz NZPSJOWHAYGOIR-INIZCTEOSA-N 2 2 376.522 3.698 20 0 GHADLP Cc1ccc([C@H]2CCCCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000514757656 850252066 /nfs/dbraw/zinc/25/20/66/850252066.db2.gz ARBNRIGCEOFJRY-HXUWFJFHSA-N 2 2 396.535 3.639 20 0 GHADLP Cc1ccc([C@H]2CCCCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000514757656 850252075 /nfs/dbraw/zinc/25/20/75/850252075.db2.gz ARBNRIGCEOFJRY-HXUWFJFHSA-N 2 2 396.535 3.639 20 0 GHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccco1 ZINC000425309023 850261674 /nfs/dbraw/zinc/26/16/74/850261674.db2.gz WHTZUFDIJGECMU-QXAKKESOSA-N 2 2 380.492 3.770 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC(C)(C)C(=O)OC(C)(C)C ZINC000424325803 850363353 /nfs/dbraw/zinc/36/33/53/850363353.db2.gz MXZYHLLEDHHVGX-IEBWSBKVSA-N 2 2 375.557 3.640 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC(C)(C)C(=O)OC(C)(C)C ZINC000424325803 850363356 /nfs/dbraw/zinc/36/33/56/850363356.db2.gz MXZYHLLEDHHVGX-IEBWSBKVSA-N 2 2 375.557 3.640 20 0 GHADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccc(C(F)(F)F)cc4)o3)CC2)C1 ZINC000668741217 850494785 /nfs/dbraw/zinc/49/47/85/850494785.db2.gz PGUHGVFMKASITR-SFHVURJKSA-N 2 2 394.437 3.996 20 0 GHADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-c4ccc(C(F)(F)F)cc4)o3)CC2)C1 ZINC000668741217 850494793 /nfs/dbraw/zinc/49/47/93/850494793.db2.gz PGUHGVFMKASITR-SFHVURJKSA-N 2 2 394.437 3.996 20 0 GHADLP Cn1ccnc1C[N@H+](Cc1cc(Cl)cc2cccnc21)[C@H]1CC12CC[NH2+]CC2 ZINC000435422609 850501094 /nfs/dbraw/zinc/50/10/94/850501094.db2.gz MRUTUCAOPJULEY-IBGZPJMESA-N 2 2 395.938 3.766 20 0 GHADLP Cn1ccnc1C[N@@H+](Cc1cc(Cl)cc2cccnc21)[C@H]1CC12CC[NH2+]CC2 ZINC000435422609 850501103 /nfs/dbraw/zinc/50/11/03/850501103.db2.gz MRUTUCAOPJULEY-IBGZPJMESA-N 2 2 395.938 3.766 20 0 GHADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)C2)C1 ZINC000519125001 850656452 /nfs/dbraw/zinc/65/64/52/850656452.db2.gz UYTIQSDDRHYNHA-IBGZPJMESA-N 2 2 389.341 3.553 20 0 GHADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)C2)C1 ZINC000519125001 850656471 /nfs/dbraw/zinc/65/64/71/850656471.db2.gz UYTIQSDDRHYNHA-IBGZPJMESA-N 2 2 389.341 3.553 20 0 GHADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)C2)C1 ZINC000519125001 850656480 /nfs/dbraw/zinc/65/64/80/850656480.db2.gz UYTIQSDDRHYNHA-IBGZPJMESA-N 2 2 389.341 3.553 20 0 GHADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)C2)C1 ZINC000519125001 850656489 /nfs/dbraw/zinc/65/64/89/850656489.db2.gz UYTIQSDDRHYNHA-IBGZPJMESA-N 2 2 389.341 3.553 20 0 GHADLP CC[NH+](CC)CCOc1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000604374819 862157124 /nfs/dbraw/zinc/15/71/24/862157124.db2.gz WJKKDGNXWJSWQF-UHFFFAOYSA-N 2 2 392.503 3.523 20 0 GHADLP C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435624349 850720996 /nfs/dbraw/zinc/72/09/96/850720996.db2.gz JFFUARMHRDSFDV-MAUKXSAKSA-N 2 2 384.351 3.731 20 0 GHADLP C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435624349 850721003 /nfs/dbraw/zinc/72/10/03/850721003.db2.gz JFFUARMHRDSFDV-MAUKXSAKSA-N 2 2 384.351 3.731 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425073171 851024770 /nfs/dbraw/zinc/02/47/70/851024770.db2.gz AJSTVXBYGTXRCW-UHFFFAOYSA-N 2 2 378.567 3.675 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425073171 851024777 /nfs/dbraw/zinc/02/47/77/851024777.db2.gz AJSTVXBYGTXRCW-UHFFFAOYSA-N 2 2 378.567 3.675 20 0 GHADLP Brc1cccc(-c2nc(C[NH2+]CCCn3cc[nH+]c3)cs2)c1 ZINC000120004224 851486712 /nfs/dbraw/zinc/48/67/12/851486712.db2.gz XHRSGGADCZYLOW-UHFFFAOYSA-N 2 2 377.311 3.949 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000484152606 862249190 /nfs/dbraw/zinc/24/91/90/862249190.db2.gz UMQIDNLQPSCMIX-YYWHXJBOSA-N 2 2 386.536 3.835 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000484152606 862249206 /nfs/dbraw/zinc/24/92/06/862249206.db2.gz UMQIDNLQPSCMIX-YYWHXJBOSA-N 2 2 386.536 3.835 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000438104728 852033304 /nfs/dbraw/zinc/03/33/04/852033304.db2.gz MCODKUNDXCKEPC-AVRDEDQJSA-N 2 2 396.531 3.967 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000438104728 852033314 /nfs/dbraw/zinc/03/33/14/852033314.db2.gz MCODKUNDXCKEPC-AVRDEDQJSA-N 2 2 396.531 3.967 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000438104728 852033317 /nfs/dbraw/zinc/03/33/17/852033317.db2.gz MCODKUNDXCKEPC-AVRDEDQJSA-N 2 2 396.531 3.967 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000438104728 852033328 /nfs/dbraw/zinc/03/33/28/852033328.db2.gz MCODKUNDXCKEPC-AVRDEDQJSA-N 2 2 396.531 3.967 20 0 GHADLP CCC(CC)[C@@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCC1 ZINC000604637006 862363736 /nfs/dbraw/zinc/36/37/36/862363736.db2.gz MCGVBOXZERAJOP-OAQYLSRUSA-N 2 2 383.540 3.572 20 0 GHADLP CC[N@H+](CC(=O)N1CCC(CCC[NH+](C)C)CC1)Cc1ccccc1Cl ZINC000550282123 852643706 /nfs/dbraw/zinc/64/37/06/852643706.db2.gz IZXNROKITIJBCN-UHFFFAOYSA-N 2 2 379.976 3.742 20 0 GHADLP CC[N@@H+](CC(=O)N1CCC(CCC[NH+](C)C)CC1)Cc1ccccc1Cl ZINC000550282123 852643712 /nfs/dbraw/zinc/64/37/12/852643712.db2.gz IZXNROKITIJBCN-UHFFFAOYSA-N 2 2 379.976 3.742 20 0 GHADLP CC[C@@H](C)[NH2+][C@@H](CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)c1ccco1 ZINC000509573769 852980326 /nfs/dbraw/zinc/98/03/26/852980326.db2.gz YLQVGWILQOEISS-WBVHZDCISA-N 2 2 388.512 3.571 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)N(C)CCCn1cc[nH+]c1)c1ccccc1Cl ZINC000426237456 853104869 /nfs/dbraw/zinc/10/48/69/853104869.db2.gz IUYKRQKBIMTIFQ-LJQANCHMSA-N 2 2 391.947 3.651 20 0 GHADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000516901030 853144502 /nfs/dbraw/zinc/14/45/02/853144502.db2.gz LFDUWQBLJBKHLP-KRWDZBQOSA-N 2 2 381.524 3.738 20 0 GHADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000516901030 853144504 /nfs/dbraw/zinc/14/45/04/853144504.db2.gz LFDUWQBLJBKHLP-KRWDZBQOSA-N 2 2 381.524 3.738 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506481022 853273009 /nfs/dbraw/zinc/27/30/09/853273009.db2.gz NUGXZYNWWKPACR-SVFBPWRDSA-N 2 2 389.559 3.759 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506481022 853273017 /nfs/dbraw/zinc/27/30/17/853273017.db2.gz NUGXZYNWWKPACR-SVFBPWRDSA-N 2 2 389.559 3.759 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506481022 853273024 /nfs/dbraw/zinc/27/30/24/853273024.db2.gz NUGXZYNWWKPACR-SVFBPWRDSA-N 2 2 389.559 3.759 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506481022 853273032 /nfs/dbraw/zinc/27/30/32/853273032.db2.gz NUGXZYNWWKPACR-SVFBPWRDSA-N 2 2 389.559 3.759 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000437587045 853302868 /nfs/dbraw/zinc/30/28/68/853302868.db2.gz DQSLFACQVIFFGY-HXUWFJFHSA-N 2 2 396.531 3.826 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000437587045 853302872 /nfs/dbraw/zinc/30/28/72/853302872.db2.gz DQSLFACQVIFFGY-HXUWFJFHSA-N 2 2 396.531 3.826 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000437587045 853302874 /nfs/dbraw/zinc/30/28/74/853302874.db2.gz DQSLFACQVIFFGY-HXUWFJFHSA-N 2 2 396.531 3.826 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000437587045 853302878 /nfs/dbraw/zinc/30/28/78/853302878.db2.gz DQSLFACQVIFFGY-HXUWFJFHSA-N 2 2 396.531 3.826 20 0 GHADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000518628648 853588585 /nfs/dbraw/zinc/58/85/85/853588585.db2.gz GPSBQFIKPKHOBZ-IYBDPMFKSA-N 2 2 379.574 3.513 20 0 GHADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000518628648 853588595 /nfs/dbraw/zinc/58/85/95/853588595.db2.gz GPSBQFIKPKHOBZ-IYBDPMFKSA-N 2 2 379.574 3.513 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000163895247 853620621 /nfs/dbraw/zinc/62/06/21/853620621.db2.gz ZEDRYTOMLCYELH-UHFFFAOYSA-N 2 2 392.547 3.638 20 0 GHADLP CC[C@@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000571130383 853760431 /nfs/dbraw/zinc/76/04/31/853760431.db2.gz NOUYTCKEOYUUPD-CVDCTZTESA-N 2 2 395.547 3.929 20 0 GHADLP CC[C@@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000571130383 853760438 /nfs/dbraw/zinc/76/04/38/853760438.db2.gz NOUYTCKEOYUUPD-CVDCTZTESA-N 2 2 395.547 3.929 20 0 GHADLP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000623902420 862504853 /nfs/dbraw/zinc/50/48/53/862504853.db2.gz HQVAXCKNSFISEF-ABAIWWIYSA-N 2 2 381.895 3.712 20 0 GHADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+](C2CCC2)C1 ZINC000571710106 853996609 /nfs/dbraw/zinc/99/66/09/853996609.db2.gz GFHYINGYHVEQFD-PGRDOPGGSA-N 2 2 387.543 3.513 20 0 GHADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@H+](C2CCC2)C1 ZINC000571710106 853996615 /nfs/dbraw/zinc/99/66/15/853996615.db2.gz GFHYINGYHVEQFD-PGRDOPGGSA-N 2 2 387.543 3.513 20 0 GHADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+](C2CCC2)C1 ZINC000571710106 853996621 /nfs/dbraw/zinc/99/66/21/853996621.db2.gz GFHYINGYHVEQFD-PGRDOPGGSA-N 2 2 387.543 3.513 20 0 GHADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC[NH+](C2CCC2)C1 ZINC000571710106 853996627 /nfs/dbraw/zinc/99/66/27/853996627.db2.gz GFHYINGYHVEQFD-PGRDOPGGSA-N 2 2 387.543 3.513 20 0 GHADLP CC[N@H+](CCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(C)C ZINC000588277532 854267161 /nfs/dbraw/zinc/26/71/61/854267161.db2.gz LCXAFLWIKVYDSM-SFHVURJKSA-N 2 2 398.954 3.646 20 0 GHADLP CC[N@@H+](CCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(C)C ZINC000588277532 854267167 /nfs/dbraw/zinc/26/71/67/854267167.db2.gz LCXAFLWIKVYDSM-SFHVURJKSA-N 2 2 398.954 3.646 20 0 GHADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C[C@@H]1C ZINC000458893546 854475867 /nfs/dbraw/zinc/47/58/67/854475867.db2.gz XTBMOHFNZRPYQV-JKSUJKDBSA-N 2 2 389.931 3.540 20 0 GHADLP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C[C@@H]1C ZINC000458893546 854475869 /nfs/dbraw/zinc/47/58/69/854475869.db2.gz XTBMOHFNZRPYQV-JKSUJKDBSA-N 2 2 389.931 3.540 20 0 GHADLP Cc1cc(C)c(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c[nH+]1 ZINC000572356093 854486046 /nfs/dbraw/zinc/48/60/46/854486046.db2.gz FKASFRNSTFVNOQ-QGZVFWFLSA-N 2 2 380.536 3.930 20 0 GHADLP Cc1cc(C)c(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c[nH+]1 ZINC000572356093 854486057 /nfs/dbraw/zinc/48/60/57/854486057.db2.gz FKASFRNSTFVNOQ-QGZVFWFLSA-N 2 2 380.536 3.930 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(F)c(Br)cc1F ZINC000624014686 862583193 /nfs/dbraw/zinc/58/31/93/862583193.db2.gz DUQACMATRLNBNP-YPMHNXCESA-N 2 2 389.284 3.631 20 0 GHADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482013007 862608358 /nfs/dbraw/zinc/60/83/58/862608358.db2.gz FCNZYTNQICCKKY-RTWAWAEBSA-N 2 2 399.604 3.873 20 0 GHADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482013007 862608365 /nfs/dbraw/zinc/60/83/65/862608365.db2.gz FCNZYTNQICCKKY-RTWAWAEBSA-N 2 2 399.604 3.873 20 0 GHADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1OCc1c(C)noc1C ZINC000655855747 855284593 /nfs/dbraw/zinc/28/45/93/855284593.db2.gz HRTNWIWTBILNJH-SFTDATJTSA-N 2 2 399.535 3.986 20 0 GHADLP COc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1OCc1c(C)noc1C ZINC000655855747 855284601 /nfs/dbraw/zinc/28/46/01/855284601.db2.gz HRTNWIWTBILNJH-SFTDATJTSA-N 2 2 399.535 3.986 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4cc(C)cc(F)c4)CC[C@@H]3C2)cs1 ZINC001143586406 855670259 /nfs/dbraw/zinc/67/02/59/855670259.db2.gz LODLZCCLIONCFG-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4cc(C)cc(F)c4)CC[C@@H]3C2)cs1 ZINC001143586406 855670263 /nfs/dbraw/zinc/67/02/63/855670263.db2.gz LODLZCCLIONCFG-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4cc(C)cc(F)c4)CC[C@@H]3C2)cs1 ZINC001143586406 855670271 /nfs/dbraw/zinc/67/02/71/855670271.db2.gz LODLZCCLIONCFG-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4cc(C)cc(F)c4)CC[C@@H]3C2)cs1 ZINC001143586406 855670274 /nfs/dbraw/zinc/67/02/74/855670274.db2.gz LODLZCCLIONCFG-WIYYLYMNSA-N 2 2 389.540 3.622 20 0 GHADLP C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001168003586 855678532 /nfs/dbraw/zinc/67/85/32/855678532.db2.gz PQCMWLPUIYLHRX-UFPRQQMNSA-N 2 2 377.573 3.722 20 0 GHADLP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001168003586 855678539 /nfs/dbraw/zinc/67/85/39/855678539.db2.gz PQCMWLPUIYLHRX-UFPRQQMNSA-N 2 2 377.573 3.722 20 0 GHADLP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001168003586 855678547 /nfs/dbraw/zinc/67/85/47/855678547.db2.gz PQCMWLPUIYLHRX-UFPRQQMNSA-N 2 2 377.573 3.722 20 0 GHADLP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001168003586 855678562 /nfs/dbraw/zinc/67/85/62/855678562.db2.gz PQCMWLPUIYLHRX-UFPRQQMNSA-N 2 2 377.573 3.722 20 0 GHADLP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000061003052 855708073 /nfs/dbraw/zinc/70/80/73/855708073.db2.gz INDADUXQWUQTGD-UHFFFAOYSA-N 2 2 378.307 3.923 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000573079040 855857109 /nfs/dbraw/zinc/85/71/09/855857109.db2.gz PNUPGXDGDKZSQW-GGAORHGYSA-N 3 2 387.531 3.530 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000573079040 855857111 /nfs/dbraw/zinc/85/71/11/855857111.db2.gz PNUPGXDGDKZSQW-GGAORHGYSA-N 3 2 387.531 3.530 20 0 GHADLP CCc1cc(C)cc(CC)c1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000280833736 855879359 /nfs/dbraw/zinc/87/93/59/855879359.db2.gz VMDWRXOGEBVNOP-UHFFFAOYSA-N 2 2 386.584 3.800 20 0 GHADLP C[C@@H](CCCOc1ccccc1C(N)=O)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110166 856081900 /nfs/dbraw/zinc/08/19/00/856081900.db2.gz CCUSOZFEWPZBSM-FHWLQOOXSA-N 2 2 396.535 3.505 20 0 GHADLP COc1cc2c(cc1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1)O[C@H](C)C2 ZINC000030664611 856121576 /nfs/dbraw/zinc/12/15/76/856121576.db2.gz KCUNOTUGXSHMED-QGZVFWFLSA-N 2 2 377.488 3.596 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)ccn12 ZINC000573385031 856133804 /nfs/dbraw/zinc/13/38/04/856133804.db2.gz MWVSMNLVGPPWMA-LAUBAEHRSA-N 2 2 376.504 3.768 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)ccn12 ZINC000573385031 856133808 /nfs/dbraw/zinc/13/38/08/856133808.db2.gz MWVSMNLVGPPWMA-LAUBAEHRSA-N 2 2 376.504 3.768 20 0 GHADLP CN(C(=O)c1ccc(OC2CCCCC2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000605128883 862796587 /nfs/dbraw/zinc/79/65/87/862796587.db2.gz RKLHEVAJSXLWKL-OAQYLSRUSA-N 2 2 399.579 3.639 20 0 GHADLP CN(C(=O)c1ccc(OC2CCCCC2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000605128883 862796599 /nfs/dbraw/zinc/79/65/99/862796599.db2.gz RKLHEVAJSXLWKL-OAQYLSRUSA-N 2 2 399.579 3.639 20 0 GHADLP C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000045976097 856792615 /nfs/dbraw/zinc/79/26/15/856792615.db2.gz DTZKVIWSHIGBHZ-KRWDZBQOSA-N 2 2 393.601 3.763 20 0 GHADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000045976097 856792618 /nfs/dbraw/zinc/79/26/18/856792618.db2.gz DTZKVIWSHIGBHZ-KRWDZBQOSA-N 2 2 393.601 3.763 20 0 GHADLP Cc1cn2cc(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)ccc2[nH+]1 ZINC000509211791 862842246 /nfs/dbraw/zinc/84/22/46/862842246.db2.gz OKEULTYPFHHJRK-GOSISDBHSA-N 2 2 384.430 3.739 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000665253152 856969922 /nfs/dbraw/zinc/96/99/22/856969922.db2.gz IDOPOJWTDNEXHV-CQURBHOASA-N 2 2 399.485 3.991 20 0 GHADLP Cc1ccccc1[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000465921154 857003717 /nfs/dbraw/zinc/00/37/17/857003717.db2.gz KMMVLWHCBQCEDV-JOCHJYFZSA-N 2 2 398.595 3.696 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000282168133 857066253 /nfs/dbraw/zinc/06/62/53/857066253.db2.gz UWPAKNMZXWNLBA-IBGZPJMESA-N 2 2 394.519 3.630 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000282168133 857066267 /nfs/dbraw/zinc/06/62/67/857066267.db2.gz UWPAKNMZXWNLBA-IBGZPJMESA-N 2 2 394.519 3.630 20 0 GHADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1)c1cccc(-n2cnnn2)c1 ZINC000675763219 857592393 /nfs/dbraw/zinc/59/23/93/857592393.db2.gz IVKIODBYUIATAI-AUSIDOKSSA-N 2 2 390.535 3.786 20 0 GHADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)c1cccc(-n2cnnn2)c1 ZINC000675763221 857592429 /nfs/dbraw/zinc/59/24/29/857592429.db2.gz IVKIODBYUIATAI-CVDCTZTESA-N 2 2 390.535 3.786 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000675786946 857613257 /nfs/dbraw/zinc/61/32/57/857613257.db2.gz MMLDPXBKTBWNPS-NHTMILBNSA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000675786946 857613262 /nfs/dbraw/zinc/61/32/62/857613262.db2.gz MMLDPXBKTBWNPS-NHTMILBNSA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000675786946 857613265 /nfs/dbraw/zinc/61/32/65/857613265.db2.gz MMLDPXBKTBWNPS-NHTMILBNSA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000675786946 857613269 /nfs/dbraw/zinc/61/32/69/857613269.db2.gz MMLDPXBKTBWNPS-NHTMILBNSA-N 3 2 387.612 3.625 20 0 GHADLP COCC[N@H+](C)CC[C@@H](Nc1cc(N2CCC[C@H](C)C2)nc[nH+]1)c1ccccc1 ZINC000521118651 857615946 /nfs/dbraw/zinc/61/59/46/857615946.db2.gz GZZGBVMTDVABBE-PZJWPPBQSA-N 2 2 397.567 3.834 20 0 GHADLP COCC[N@@H+](C)CC[C@@H](Nc1cc(N2CCC[C@H](C)C2)nc[nH+]1)c1ccccc1 ZINC000521118651 857615954 /nfs/dbraw/zinc/61/59/54/857615954.db2.gz GZZGBVMTDVABBE-PZJWPPBQSA-N 2 2 397.567 3.834 20 0 GHADLP COCC[N@H+](C)CC[C@@H](Nc1cc(N2CCC[C@H](C)C2)[nH+]cn1)c1ccccc1 ZINC000521118651 857615963 /nfs/dbraw/zinc/61/59/63/857615963.db2.gz GZZGBVMTDVABBE-PZJWPPBQSA-N 2 2 397.567 3.834 20 0 GHADLP COCC[N@@H+](C)CC[C@@H](Nc1cc(N2CCC[C@H](C)C2)[nH+]cn1)c1ccccc1 ZINC000521118651 857615975 /nfs/dbraw/zinc/61/59/75/857615975.db2.gz GZZGBVMTDVABBE-PZJWPPBQSA-N 2 2 397.567 3.834 20 0 GHADLP CC(C)(C)OC(=O)[C@@](C)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000593681193 857656827 /nfs/dbraw/zinc/65/68/27/857656827.db2.gz WGBDBGMRNWWDDU-DEOSSOPVSA-N 2 2 395.547 3.940 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCO2 ZINC000675880528 857658330 /nfs/dbraw/zinc/65/83/30/857658330.db2.gz FSIVWNOASCZXLX-FUHWJXTLSA-N 2 2 395.341 3.506 20 0 GHADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000675970268 857688442 /nfs/dbraw/zinc/68/84/42/857688442.db2.gz BPAUPWDVSTXBOX-GHTZIAJQSA-N 2 2 384.495 3.702 20 0 GHADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000675970268 857688452 /nfs/dbraw/zinc/68/84/52/857688452.db2.gz BPAUPWDVSTXBOX-GHTZIAJQSA-N 2 2 384.495 3.702 20 0 GHADLP Fc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(Br)c1 ZINC000064344482 857697415 /nfs/dbraw/zinc/69/74/15/857697415.db2.gz DLMWBXFNHXAEJC-UHFFFAOYSA-N 2 2 385.321 3.523 20 0 GHADLP C[C@@H](CCC1CCCCC1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466027711 857885106 /nfs/dbraw/zinc/88/51/06/857885106.db2.gz VNFPSGCKILXLFD-FQEVSTJZSA-N 2 2 392.632 3.985 20 0 GHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000676478755 857910069 /nfs/dbraw/zinc/91/00/69/857910069.db2.gz OYSVABDTLMYRDW-RBBKRZOGSA-N 2 2 390.487 3.909 20 0 GHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000676478755 857910080 /nfs/dbraw/zinc/91/00/80/857910080.db2.gz OYSVABDTLMYRDW-RBBKRZOGSA-N 2 2 390.487 3.909 20 0 GHADLP C[C@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[NH+]1CCC(C)CC1 ZINC000521465643 858021862 /nfs/dbraw/zinc/02/18/62/858021862.db2.gz XEKULQXBFCANTB-IAGOWNOFSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[NH+]1CCC(C)CC1 ZINC000521465643 858021871 /nfs/dbraw/zinc/02/18/71/858021871.db2.gz XEKULQXBFCANTB-IAGOWNOFSA-N 2 2 393.601 3.617 20 0 GHADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000594921423 858304880 /nfs/dbraw/zinc/30/48/80/858304880.db2.gz DHDUTGMHQPPIKX-NLSFWIRASA-N 2 2 389.499 3.886 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000521887463 858419871 /nfs/dbraw/zinc/41/98/71/858419871.db2.gz QBJWLPWHPUNMEZ-IYBDPMFKSA-N 2 2 390.572 3.605 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000521887463 858419874 /nfs/dbraw/zinc/41/98/74/858419874.db2.gz QBJWLPWHPUNMEZ-IYBDPMFKSA-N 2 2 390.572 3.605 20 0 GHADLP O[C@H](COc1cccc2ccccc21)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000761117583 858556913 /nfs/dbraw/zinc/55/69/13/858556913.db2.gz JFVPELZQAHXMKB-FQEVSTJZSA-N 2 2 377.488 3.551 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000482653418 858735906 /nfs/dbraw/zinc/73/59/06/858735906.db2.gz XYKSBIYSWZPPCR-QYZOEREBSA-N 2 2 397.485 3.661 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000482653418 858735910 /nfs/dbraw/zinc/73/59/10/858735910.db2.gz XYKSBIYSWZPPCR-QYZOEREBSA-N 2 2 397.485 3.661 20 0 GHADLP Cc1ccccc1-c1nc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)no1 ZINC000134081895 858830317 /nfs/dbraw/zinc/83/03/17/858830317.db2.gz KAPMQNKXJOYPCB-KDURUIRLSA-N 2 2 398.551 3.756 20 0 GHADLP Cc1ccccc1-c1nc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)no1 ZINC000134081895 858830327 /nfs/dbraw/zinc/83/03/27/858830327.db2.gz KAPMQNKXJOYPCB-KDURUIRLSA-N 2 2 398.551 3.756 20 0 GHADLP CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1CC[NH+]1CCCOCC1 ZINC000429281694 858923374 /nfs/dbraw/zinc/92/33/74/858923374.db2.gz DBWVVMLWUVJITR-QFIPXVFZSA-N 2 2 394.003 3.595 20 0 GHADLP CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1CC[NH+]1CCCOCC1 ZINC000429281694 858923383 /nfs/dbraw/zinc/92/33/83/858923383.db2.gz DBWVVMLWUVJITR-QFIPXVFZSA-N 2 2 394.003 3.595 20 0 GHADLP CC(C)C[C@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1CC[N@@H+]1CCCOCC1 ZINC000429281694 858923393 /nfs/dbraw/zinc/92/33/93/858923393.db2.gz DBWVVMLWUVJITR-QFIPXVFZSA-N 2 2 394.003 3.595 20 0 GHADLP CC(C)C[C@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1CC[N@H+]1CCCOCC1 ZINC000429281694 858923397 /nfs/dbraw/zinc/92/33/97/858923397.db2.gz DBWVVMLWUVJITR-QFIPXVFZSA-N 2 2 394.003 3.595 20 0 GHADLP Cc1oc(-c2ccccc2)cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000625856183 859028890 /nfs/dbraw/zinc/02/88/90/859028890.db2.gz HYJQDOYLPBGVPI-UHFFFAOYSA-N 2 2 395.547 3.935 20 0 GHADLP CCc1ccc(-c2ccc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)o2)cc1 ZINC000172929648 859047058 /nfs/dbraw/zinc/04/70/58/859047058.db2.gz QANXUZCQRJSSNG-UHFFFAOYSA-N 2 2 395.547 3.797 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000185211318 859057129 /nfs/dbraw/zinc/05/71/29/859057129.db2.gz NLMMQPUSMJZTQC-AWEZNQCLSA-N 2 2 399.848 3.583 20 0 GHADLP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000543266758 859091959 /nfs/dbraw/zinc/09/19/59/859091959.db2.gz XGGUIPHOYHDCSV-LJQANCHMSA-N 2 2 384.568 3.580 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)C2)ccn1 ZINC000856554119 881385970 /nfs/dbraw/zinc/38/59/70/881385970.db2.gz PGOXVDRKTWSIQQ-QFIPXVFZSA-N 2 2 391.519 3.577 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)C2)ccn1 ZINC000856554119 881385997 /nfs/dbraw/zinc/38/59/97/881385997.db2.gz PGOXVDRKTWSIQQ-QFIPXVFZSA-N 2 2 391.519 3.577 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)ccn1 ZINC000856554119 881386038 /nfs/dbraw/zinc/38/60/38/881386038.db2.gz PGOXVDRKTWSIQQ-QFIPXVFZSA-N 2 2 391.519 3.577 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)ccn1 ZINC000856554119 881386066 /nfs/dbraw/zinc/38/60/66/881386066.db2.gz PGOXVDRKTWSIQQ-QFIPXVFZSA-N 2 2 391.519 3.577 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)C2)ccn1 ZINC000856554119 881386099 /nfs/dbraw/zinc/38/60/99/881386099.db2.gz PGOXVDRKTWSIQQ-QFIPXVFZSA-N 2 2 391.519 3.577 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)C2)ccn1 ZINC000856554119 881386137 /nfs/dbraw/zinc/38/61/37/881386137.db2.gz PGOXVDRKTWSIQQ-QFIPXVFZSA-N 2 2 391.519 3.577 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3c[nH]c(-c4ccccc4)n3)C2)ccn1 ZINC000856554119 881386159 /nfs/dbraw/zinc/38/61/59/881386159.db2.gz PGOXVDRKTWSIQQ-QFIPXVFZSA-N 2 2 391.519 3.577 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3c[nH]c(-c4ccccc4)n3)C2)ccn1 ZINC000856554119 881386196 /nfs/dbraw/zinc/38/61/96/881386196.db2.gz PGOXVDRKTWSIQQ-QFIPXVFZSA-N 2 2 391.519 3.577 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)c(C)c1 ZINC000483206030 859205670 /nfs/dbraw/zinc/20/56/70/859205670.db2.gz ZZZOOIAGZYJHIO-UNMCSNQZSA-N 2 2 397.567 3.805 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000429414451 859307441 /nfs/dbraw/zinc/30/74/41/859307441.db2.gz YCQTXLWCRHEGCB-ISKFKSNPSA-N 2 2 380.532 3.953 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000429414451 859307446 /nfs/dbraw/zinc/30/74/46/859307446.db2.gz YCQTXLWCRHEGCB-ISKFKSNPSA-N 2 2 380.532 3.953 20 0 GHADLP C[C@@H]1C[N@H+](C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000597182816 859341673 /nfs/dbraw/zinc/34/16/73/859341673.db2.gz CAQNJJBWQWXEAG-OAHLLOKOSA-N 2 2 381.549 3.560 20 0 GHADLP C[C@@H]1C[N@@H+](C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000597182816 859341685 /nfs/dbraw/zinc/34/16/85/859341685.db2.gz CAQNJJBWQWXEAG-OAHLLOKOSA-N 2 2 381.549 3.560 20 0 GHADLP CCOC(=O)c1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000597228679 859362005 /nfs/dbraw/zinc/36/20/05/859362005.db2.gz FSZSRBRUHXYPKF-IBGZPJMESA-N 2 2 382.504 3.848 20 0 GHADLP CCOC(=O)c1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000597228679 859362014 /nfs/dbraw/zinc/36/20/14/859362014.db2.gz FSZSRBRUHXYPKF-IBGZPJMESA-N 2 2 382.504 3.848 20 0 GHADLP FC(F)(F)COc1cnccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000466417866 859404820 /nfs/dbraw/zinc/40/48/20/859404820.db2.gz RWMUAHNMGANFHR-UHFFFAOYSA-N 2 2 379.426 3.777 20 0 GHADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000113934446 859407684 /nfs/dbraw/zinc/40/76/84/859407684.db2.gz ZSWODFAONCSLRP-QYZOEREBSA-N 2 2 389.609 3.608 20 0 GHADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000113934446 859407692 /nfs/dbraw/zinc/40/76/92/859407692.db2.gz ZSWODFAONCSLRP-QYZOEREBSA-N 2 2 389.609 3.608 20 0 GHADLP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000113934446 859407696 /nfs/dbraw/zinc/40/76/96/859407696.db2.gz ZSWODFAONCSLRP-QYZOEREBSA-N 2 2 389.609 3.608 20 0 GHADLP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000113934446 859407701 /nfs/dbraw/zinc/40/77/01/859407701.db2.gz ZSWODFAONCSLRP-QYZOEREBSA-N 2 2 389.609 3.608 20 0 GHADLP Cn1cc(-c2ccc(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)s2)cn1 ZINC000509430411 859415431 /nfs/dbraw/zinc/41/54/31/859415431.db2.gz PASLJNWMZLKWFX-FQEVSTJZSA-N 2 2 396.560 3.529 20 0 GHADLP Cn1cc(-c2ccc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)s2)cn1 ZINC000509430411 859415435 /nfs/dbraw/zinc/41/54/35/859415435.db2.gz PASLJNWMZLKWFX-FQEVSTJZSA-N 2 2 396.560 3.529 20 0 GHADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000626063293 859437146 /nfs/dbraw/zinc/43/71/46/859437146.db2.gz YQONPUNZFAVYCZ-KRWDZBQOSA-N 2 2 381.520 3.800 20 0 GHADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000626063293 859437152 /nfs/dbraw/zinc/43/71/52/859437152.db2.gz YQONPUNZFAVYCZ-KRWDZBQOSA-N 2 2 381.520 3.800 20 0 GHADLP COc1cc2c(cc1C[NH2+][C@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)OCO2 ZINC000509444375 859455548 /nfs/dbraw/zinc/45/55/48/859455548.db2.gz OWUIJLLRXVNMCA-QFIPXVFZSA-N 2 2 382.504 3.814 20 0 GHADLP COc1cc2c(cc1C[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)OCO2 ZINC000509444375 859455552 /nfs/dbraw/zinc/45/55/52/859455552.db2.gz OWUIJLLRXVNMCA-QFIPXVFZSA-N 2 2 382.504 3.814 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)nnn1-c1ccc(C)cc1 ZINC000484125199 859815778 /nfs/dbraw/zinc/81/57/78/859815778.db2.gz GSKUCZZHRJUQHD-GOSISDBHSA-N 2 2 390.535 3.907 20 0 GHADLP O[C@@]1(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484166234 859857756 /nfs/dbraw/zinc/85/77/56/859857756.db2.gz UQHNOXXWJKWHNN-IFMALSPDSA-N 2 2 386.923 3.780 20 0 GHADLP O[C@@]1(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484166234 859857765 /nfs/dbraw/zinc/85/77/65/859857765.db2.gz UQHNOXXWJKWHNN-IFMALSPDSA-N 2 2 386.923 3.780 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000096574150 859898075 /nfs/dbraw/zinc/89/80/75/859898075.db2.gz QUDDNMXNROAECU-DHZHZOJOSA-N 2 2 391.559 4.000 20 0 GHADLP CC1(C)[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1OCc1ccccc1 ZINC001170388028 881503913 /nfs/dbraw/zinc/50/39/13/881503913.db2.gz XRHOXRUZKHXGPL-ZEQRLZLVSA-N 2 2 394.559 3.992 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@](C)(O)c3cccc(Cl)c3)CC2)cc1 ZINC000765684713 860399532 /nfs/dbraw/zinc/39/95/32/860399532.db2.gz SODKESQLCVAGMT-JOCHJYFZSA-N 2 2 387.955 3.872 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000766189839 860454061 /nfs/dbraw/zinc/45/40/61/860454061.db2.gz HXSAUXUEFQYWQS-HKUYNNGSSA-N 2 2 388.556 3.724 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@H]3CC[C@H](C(F)(F)F)O3)CC2)cc1 ZINC000922677494 860464697 /nfs/dbraw/zinc/46/46/97/860464697.db2.gz PABAZIIPQYPFQY-RTBURBONSA-N 2 2 385.474 3.811 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C(C)(C)[NH3+])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000904597898 860526857 /nfs/dbraw/zinc/52/68/57/860526857.db2.gz UYTTUNBTSAZPKK-RTBURBONSA-N 2 2 388.462 3.726 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C(C)(C)[NH3+])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000904597898 860526863 /nfs/dbraw/zinc/52/68/63/860526863.db2.gz UYTTUNBTSAZPKK-RTBURBONSA-N 2 2 388.462 3.726 20 0 GHADLP C[NH+]1CCN(C(=[NH2+])Nc2nc(Cl)nc3ccc(-c4ccc(F)cc4)cc32)CC1 ZINC001168736074 860697601 /nfs/dbraw/zinc/69/76/01/860697601.db2.gz YNQWFRAYVWRMPY-UHFFFAOYSA-N 2 2 398.873 3.683 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(-c4ccco4)on3)C2)ccn1 ZINC000856597014 881572982 /nfs/dbraw/zinc/57/29/82/881572982.db2.gz CKOVORYCNBPDJQ-HXUWFJFHSA-N 2 2 396.491 3.823 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(-c4ccco4)on3)C2)ccn1 ZINC000856597014 881572999 /nfs/dbraw/zinc/57/29/99/881572999.db2.gz CKOVORYCNBPDJQ-HXUWFJFHSA-N 2 2 396.491 3.823 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(-c4ccco4)on3)C2)ccn1 ZINC000856597014 881573013 /nfs/dbraw/zinc/57/30/13/881573013.db2.gz CKOVORYCNBPDJQ-HXUWFJFHSA-N 2 2 396.491 3.823 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(-c4ccco4)on3)C2)ccn1 ZINC000856597014 881573025 /nfs/dbraw/zinc/57/30/25/881573025.db2.gz CKOVORYCNBPDJQ-HXUWFJFHSA-N 2 2 396.491 3.823 20 0 GHADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001170411822 881579647 /nfs/dbraw/zinc/57/96/47/881579647.db2.gz MBNACUWVJJMRSC-FQEVSTJZSA-N 2 2 396.531 3.999 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Br)c(Cl)c2)C[C@H](C)O1 ZINC000494356312 881588316 /nfs/dbraw/zinc/58/83/16/881588316.db2.gz CTXPMIRHXCZZQD-BETUJISGSA-N 2 2 375.738 3.691 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Br)c(Cl)c2)C[C@H](C)O1 ZINC000494356312 881588322 /nfs/dbraw/zinc/58/83/22/881588322.db2.gz CTXPMIRHXCZZQD-BETUJISGSA-N 2 2 375.738 3.691 20 0 GHADLP Cc1[nH]c(C2CCN(C(=O)c3oc4ccccc4c3C[NH+](C)C)CC2)[nH+]c1C ZINC000899506732 860975110 /nfs/dbraw/zinc/97/51/10/860975110.db2.gz XKZUSLYDNHLNTI-UHFFFAOYSA-N 2 2 380.492 3.854 20 0 GHADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2csc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000623398591 861000918 /nfs/dbraw/zinc/00/09/18/861000918.db2.gz KEYQAVRVNJNWTH-KRWDZBQOSA-N 2 2 383.483 3.845 20 0 GHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177392647 861187952 /nfs/dbraw/zinc/18/79/52/861187952.db2.gz MURMGDLFEQIJJV-UHFFFAOYSA-N 2 2 395.551 3.528 20 0 GHADLP CCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000522713130 863125277 /nfs/dbraw/zinc/12/52/77/863125277.db2.gz RYDGQDFQCMWGRS-HSZRJFAPSA-N 2 2 378.564 3.678 20 0 GHADLP CCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000522713130 863125282 /nfs/dbraw/zinc/12/52/82/863125282.db2.gz RYDGQDFQCMWGRS-HSZRJFAPSA-N 2 2 378.564 3.678 20 0 GHADLP CC[NH+](CC)Cc1cc([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)ccc1OC ZINC000182875134 863388024 /nfs/dbraw/zinc/38/80/24/863388024.db2.gz RRCIGXPWDLHAHQ-GOSISDBHSA-N 2 2 398.551 3.942 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(F)c1F ZINC000183235943 863515641 /nfs/dbraw/zinc/51/56/41/863515641.db2.gz RNWHLACGUNCVHO-MRXNPFEDSA-N 2 2 376.447 3.527 20 0 GHADLP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)cc2)c1 ZINC000494415077 881692300 /nfs/dbraw/zinc/69/23/00/881692300.db2.gz QOLUDOCQDXGKNV-QGZVFWFLSA-N 2 2 379.460 3.797 20 0 GHADLP CCc1cnc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000120741845 881700990 /nfs/dbraw/zinc/70/09/90/881700990.db2.gz SEAUNRJLRLOQDP-ZWKOTPCHSA-N 2 2 393.601 3.506 20 0 GHADLP CCc1cnc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000120741845 881701002 /nfs/dbraw/zinc/70/10/02/881701002.db2.gz SEAUNRJLRLOQDP-ZWKOTPCHSA-N 2 2 393.601 3.506 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1C ZINC000455939839 864083728 /nfs/dbraw/zinc/08/37/28/864083728.db2.gz TVKAYYSNONLIDU-FQEVSTJZSA-N 2 2 382.508 3.920 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccnn2CCc2ccccc2)CC1 ZINC000621342960 864096885 /nfs/dbraw/zinc/09/68/85/864096885.db2.gz PXDBZCZZODPBNP-HXUWFJFHSA-N 2 2 389.547 3.836 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3ccc(C4CCCCC4)cc3)CC2)CC1 ZINC000667641463 864284186 /nfs/dbraw/zinc/28/41/86/864284186.db2.gz UTDDVZOHFWCWCR-UHFFFAOYSA-N 2 2 397.607 3.952 20 0 GHADLP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000289676438 864517504 /nfs/dbraw/zinc/51/75/04/864517504.db2.gz JIJXMHHBYUBREA-KRWDZBQOSA-N 2 2 376.545 3.724 20 0 GHADLP Cc1cc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cn2cc[nH+]c12 ZINC000554594180 864590310 /nfs/dbraw/zinc/59/03/10/864590310.db2.gz HGJSLURKENCWBU-IAGOWNOFSA-N 2 2 378.476 3.504 20 0 GHADLP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)cc2)CC1 ZINC000608009923 864912461 /nfs/dbraw/zinc/91/24/61/864912461.db2.gz BMAVEEGVJRVTTQ-HSZRJFAPSA-N 2 2 392.547 3.917 20 0 GHADLP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)cc2)CC1 ZINC000608009923 864912471 /nfs/dbraw/zinc/91/24/71/864912471.db2.gz BMAVEEGVJRVTTQ-HSZRJFAPSA-N 2 2 392.547 3.917 20 0 GHADLP Cc1ccccc1CN(C)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000554844402 865004121 /nfs/dbraw/zinc/00/41/21/865004121.db2.gz WIEWMFCDOYZNER-QHCPKHFHSA-N 2 2 393.575 3.844 20 0 GHADLP Cc1ccccc1CN(C)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554844402 865004124 /nfs/dbraw/zinc/00/41/24/865004124.db2.gz WIEWMFCDOYZNER-QHCPKHFHSA-N 2 2 393.575 3.844 20 0 GHADLP COCCC[NH+]1CCC(Nc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301165499 865201162 /nfs/dbraw/zinc/20/11/62/865201162.db2.gz UNEHLGOGNSDIED-UHFFFAOYSA-N 2 2 378.314 3.910 20 0 GHADLP C[NH+]1CCC(CNc2ncnc3c4ccccc4oc32)([NH+]2CCCCC2)CC1 ZINC000301454728 865371675 /nfs/dbraw/zinc/37/16/75/865371675.db2.gz MMYIEFVPABTLES-UHFFFAOYSA-N 2 2 379.508 3.738 20 0 GHADLP CCc1cccc(NC(=O)C[NH+]2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)c1 ZINC000555132553 865552704 /nfs/dbraw/zinc/55/27/04/865552704.db2.gz KWJIHWXPPQEMSM-LJQANCHMSA-N 2 2 398.576 3.631 20 0 GHADLP CCc1cccc(NC(=O)C[NH+]2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)c1 ZINC000555132553 865552707 /nfs/dbraw/zinc/55/27/07/865552707.db2.gz KWJIHWXPPQEMSM-LJQANCHMSA-N 2 2 398.576 3.631 20 0 GHADLP Cc1cccc([C@@H]2CCCCN2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000608686798 865592491 /nfs/dbraw/zinc/59/24/91/865592491.db2.gz XJRAVJMAFMEHOW-REWPJTCUSA-N 2 2 398.595 3.709 20 0 GHADLP Cc1cccc([C@@H]2CCCCN2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000608686798 865592498 /nfs/dbraw/zinc/59/24/98/865592498.db2.gz XJRAVJMAFMEHOW-REWPJTCUSA-N 2 2 398.595 3.709 20 0 GHADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301972239 865641019 /nfs/dbraw/zinc/64/10/19/865641019.db2.gz HSGZDIVVJJWLOR-UHFFFAOYSA-N 2 2 393.539 3.719 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1c2ccccc2C[C@H]1C ZINC000481167699 865910795 /nfs/dbraw/zinc/91/07/95/865910795.db2.gz LTCHJZTZTVEKLB-FAKFISEUSA-N 2 2 391.559 3.853 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1c2ccccc2C[C@H]1C ZINC000481167699 865910799 /nfs/dbraw/zinc/91/07/99/865910799.db2.gz LTCHJZTZTVEKLB-FAKFISEUSA-N 2 2 391.559 3.853 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(OC)cc1 ZINC000481180195 865937767 /nfs/dbraw/zinc/93/77/67/865937767.db2.gz JVFMJQAZLUDRNH-YFXJRYMSSA-N 2 2 395.547 3.913 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(OC)cc1 ZINC000481180195 865937772 /nfs/dbraw/zinc/93/77/72/865937772.db2.gz JVFMJQAZLUDRNH-YFXJRYMSSA-N 2 2 395.547 3.913 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000481183342 865946328 /nfs/dbraw/zinc/94/63/28/865946328.db2.gz ROUQCDQLSKNWND-FOIQADDNSA-N 2 2 389.902 3.918 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000481183342 865946339 /nfs/dbraw/zinc/94/63/39/865946339.db2.gz ROUQCDQLSKNWND-FOIQADDNSA-N 2 2 389.902 3.918 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(Cl)cn1 ZINC000481186272 865951484 /nfs/dbraw/zinc/95/14/84/865951484.db2.gz XLJLOUPWFWEFOY-TXPKVOOTSA-N 2 2 386.927 3.562 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(Cl)cn1 ZINC000481186272 865951490 /nfs/dbraw/zinc/95/14/90/865951490.db2.gz XLJLOUPWFWEFOY-TXPKVOOTSA-N 2 2 386.927 3.562 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481190445 865971258 /nfs/dbraw/zinc/97/12/58/865971258.db2.gz ORNLUAKCKQLFRC-DYXWJJEUSA-N 2 2 395.547 3.913 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481190445 865971268 /nfs/dbraw/zinc/97/12/68/865971268.db2.gz ORNLUAKCKQLFRC-DYXWJJEUSA-N 2 2 395.547 3.913 20 0 GHADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000153201912 866260928 /nfs/dbraw/zinc/26/09/28/866260928.db2.gz QFQJVDWWCKVLNP-HSZRJFAPSA-N 2 2 393.531 3.512 20 0 GHADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000153201912 866260939 /nfs/dbraw/zinc/26/09/39/866260939.db2.gz QFQJVDWWCKVLNP-HSZRJFAPSA-N 2 2 393.531 3.512 20 0 GHADLP CCC(C)(C)[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000665786226 866294265 /nfs/dbraw/zinc/29/42/65/866294265.db2.gz LCWNRKFHQWGWCA-YSIASYRMSA-N 2 2 380.621 3.790 20 0 GHADLP CCC(C)(C)[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000665786226 866294278 /nfs/dbraw/zinc/29/42/78/866294278.db2.gz LCWNRKFHQWGWCA-YSIASYRMSA-N 2 2 380.621 3.790 20 0 GHADLP C[C@@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000456319864 866430432 /nfs/dbraw/zinc/43/04/32/866430432.db2.gz BRCPYJNHVLMABH-FQEVSTJZSA-N 2 2 388.515 3.526 20 0 GHADLP CC(C)[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508617105 882000356 /nfs/dbraw/zinc/00/03/56/882000356.db2.gz XITFAAWFZIDQIL-JQVVWYNYSA-N 2 2 387.568 3.745 20 0 GHADLP CC(C)[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508617105 882000380 /nfs/dbraw/zinc/00/03/80/882000380.db2.gz XITFAAWFZIDQIL-JQVVWYNYSA-N 2 2 387.568 3.745 20 0 GHADLP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCCCC1 ZINC000553039398 866680932 /nfs/dbraw/zinc/68/09/32/866680932.db2.gz OECAKFUDAGNXTR-HXUWFJFHSA-N 2 2 380.536 3.526 20 0 GHADLP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCCCC1 ZINC000553039398 866680939 /nfs/dbraw/zinc/68/09/39/866680939.db2.gz OECAKFUDAGNXTR-HXUWFJFHSA-N 2 2 380.536 3.526 20 0 GHADLP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000620550060 866848558 /nfs/dbraw/zinc/84/85/58/866848558.db2.gz FRAMFZCKZWDOOH-QAPCUYQASA-N 2 2 398.954 3.646 20 0 GHADLP C[C@@H]([C@H](C)[NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)C1CCCCC1 ZINC000544425169 882032716 /nfs/dbraw/zinc/03/27/16/882032716.db2.gz QLDMWOGLHMBZOH-HOTGVXAUSA-N 2 2 378.586 3.872 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2OC2CCCC2)[C@H](C)C1 ZINC000153883080 867131169 /nfs/dbraw/zinc/13/11/69/867131169.db2.gz OLDMBSGMBAIMGA-WIYYLYMNSA-N 2 2 375.557 3.630 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2OC2CCCC2)[C@H](C)C1 ZINC000153883080 867131180 /nfs/dbraw/zinc/13/11/80/867131180.db2.gz OLDMBSGMBAIMGA-WIYYLYMNSA-N 2 2 375.557 3.630 20 0 GHADLP CC(=O)c1ccc(NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000189960726 882052022 /nfs/dbraw/zinc/05/20/22/882052022.db2.gz WFJANQPAZWWAAA-ROUUACIJSA-N 2 2 393.531 3.574 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+]C2CCN(CC(F)(F)F)CC2)CCOCC1)c1ccccc1 ZINC000153912856 867151222 /nfs/dbraw/zinc/15/12/22/867151222.db2.gz FCJNXCCLBAAKBQ-QGZVFWFLSA-N 2 2 399.501 3.503 20 0 GHADLP COC[C@@H](Cc1ccccc1)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000153940069 867163605 /nfs/dbraw/zinc/16/36/05/867163605.db2.gz IIEMNVOHAUUXBJ-NFBKMPQASA-N 2 2 382.548 3.734 20 0 GHADLP COc1ccc([C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)N2CCCCC2)cc1 ZINC000154215463 867304420 /nfs/dbraw/zinc/30/44/20/867304420.db2.gz SBYHXRCUHXSISL-HSZRJFAPSA-N 2 2 394.563 3.876 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000553465534 867498916 /nfs/dbraw/zinc/49/89/16/867498916.db2.gz FCFRWQRFTZLWMA-VXKWHMMOSA-N 2 2 388.515 3.713 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000553465534 867498928 /nfs/dbraw/zinc/49/89/28/867498928.db2.gz FCFRWQRFTZLWMA-VXKWHMMOSA-N 2 2 388.515 3.713 20 0 GHADLP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465567997 867630472 /nfs/dbraw/zinc/63/04/72/867630472.db2.gz HLWQEBDTIQQNME-QHAWAJNXSA-N 2 2 392.632 3.697 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(Br)c2OC(F)F)CC[N@@H+]1C ZINC000154961160 867683796 /nfs/dbraw/zinc/68/37/96/867683796.db2.gz YKOJWXPRFLACTP-AAEUAGOBSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(Br)c2OC(F)F)CC[N@H+]1C ZINC000154961160 867683797 /nfs/dbraw/zinc/68/37/97/867683797.db2.gz YKOJWXPRFLACTP-AAEUAGOBSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(Br)c2OC(F)F)CC[NH+]1C ZINC000154961160 867683806 /nfs/dbraw/zinc/68/38/06/867683806.db2.gz YKOJWXPRFLACTP-AAEUAGOBSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(Br)c2OC(F)F)CC[NH+]1C ZINC000154961160 867683814 /nfs/dbraw/zinc/68/38/14/867683814.db2.gz YKOJWXPRFLACTP-AAEUAGOBSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000479512807 867933778 /nfs/dbraw/zinc/93/37/78/867933778.db2.gz MZQACKPHKRHMRV-JRPNMDOOSA-N 2 2 392.712 3.763 20 0 GHADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000479512807 867933785 /nfs/dbraw/zinc/93/37/85/867933785.db2.gz MZQACKPHKRHMRV-JRPNMDOOSA-N 2 2 392.712 3.763 20 0 GHADLP Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)c[nH+]1 ZINC000535060452 868010966 /nfs/dbraw/zinc/01/09/66/868010966.db2.gz UWVAYEHUWXKNIK-UNMCSNQZSA-N 2 2 378.520 3.639 20 0 GHADLP Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)c[nH+]1 ZINC000535060452 868010978 /nfs/dbraw/zinc/01/09/78/868010978.db2.gz UWVAYEHUWXKNIK-UNMCSNQZSA-N 2 2 378.520 3.639 20 0 GHADLP Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)c[nH+]1 ZINC000535060449 868011801 /nfs/dbraw/zinc/01/18/01/868011801.db2.gz UWVAYEHUWXKNIK-IFMALSPDSA-N 2 2 378.520 3.639 20 0 GHADLP Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)c[nH+]1 ZINC000535060449 868011844 /nfs/dbraw/zinc/01/18/44/868011844.db2.gz UWVAYEHUWXKNIK-IFMALSPDSA-N 2 2 378.520 3.639 20 0 GHADLP C[C@H]1CC[C@H](NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000535118420 868201953 /nfs/dbraw/zinc/20/19/53/868201953.db2.gz VMPZWPYPEYUOBX-QIJZPMMNSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@H]1CC[C@H](NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000535118420 868201969 /nfs/dbraw/zinc/20/19/69/868201969.db2.gz VMPZWPYPEYUOBX-QIJZPMMNSA-N 2 2 378.605 3.544 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCCC[C@H]3c3ccccc3)CC2)CC1 ZINC000523880116 868225284 /nfs/dbraw/zinc/22/52/84/868225284.db2.gz QQDIUWGSUZDBFA-XZOQPEGZSA-N 2 2 398.595 3.571 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCCC[C@H]3c3ccccc3)CC2)CC1 ZINC000523880114 868225704 /nfs/dbraw/zinc/22/57/04/868225704.db2.gz QQDIUWGSUZDBFA-GOTSBHOMSA-N 2 2 398.595 3.571 20 0 GHADLP CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000743723892 868385827 /nfs/dbraw/zinc/38/58/27/868385827.db2.gz QYWWBULRCNBEHL-DEOSSOPVSA-N 2 2 393.575 3.720 20 0 GHADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000157292243 868615847 /nfs/dbraw/zinc/61/58/47/868615847.db2.gz PKPDNMOHXRMKQH-NYVOZVTQSA-N 2 2 386.584 3.726 20 0 GHADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000157292243 868615857 /nfs/dbraw/zinc/61/58/57/868615857.db2.gz PKPDNMOHXRMKQH-NYVOZVTQSA-N 2 2 386.584 3.726 20 0 GHADLP CCN(C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000535577009 869030482 /nfs/dbraw/zinc/03/04/82/869030482.db2.gz XNMNWFDMMRCZKQ-QGZVFWFLSA-N 2 2 384.499 3.707 20 0 GHADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001168149050 882257087 /nfs/dbraw/zinc/25/70/87/882257087.db2.gz IRIHJQAWUIZTRQ-SFHVURJKSA-N 2 2 388.939 3.772 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC(F)F)c(Br)c3)CC[C@@H]21 ZINC000539404290 869063394 /nfs/dbraw/zinc/06/33/94/869063394.db2.gz FZKSBCDKQHJILA-HIFRSBDPSA-N 2 2 389.284 3.967 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC(F)F)c(Br)c3)CC[C@@H]21 ZINC000539404290 869063405 /nfs/dbraw/zinc/06/34/05/869063405.db2.gz FZKSBCDKQHJILA-HIFRSBDPSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(OC(F)F)c(Br)c3)CC[C@@H]21 ZINC000539404290 869063413 /nfs/dbraw/zinc/06/34/13/869063413.db2.gz FZKSBCDKQHJILA-HIFRSBDPSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)c(Br)c3)CC[C@@H]21 ZINC000539404290 869063421 /nfs/dbraw/zinc/06/34/21/869063421.db2.gz FZKSBCDKQHJILA-HIFRSBDPSA-N 2 2 389.284 3.967 20 0 GHADLP CCCn1c(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)nc2ccccc21 ZINC000539526572 869287886 /nfs/dbraw/zinc/28/78/86/869287886.db2.gz QNIJPXYYQXDZAC-UHFFFAOYSA-N 2 2 392.551 3.984 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2OCc2ccccn2)C[C@H]1C ZINC000539837010 869880059 /nfs/dbraw/zinc/88/00/59/869880059.db2.gz UDQJQVXAJDFKDH-NQIIRXRSSA-N 2 2 383.536 3.974 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2OCc2ccccn2)C[C@H]1C ZINC000539837010 869880073 /nfs/dbraw/zinc/88/00/73/869880073.db2.gz UDQJQVXAJDFKDH-NQIIRXRSSA-N 2 2 383.536 3.974 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)ccc2OCc2ccccn2)C[C@H]1C ZINC000539837010 869880088 /nfs/dbraw/zinc/88/00/88/869880088.db2.gz UDQJQVXAJDFKDH-NQIIRXRSSA-N 2 2 383.536 3.974 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)ccc2OCc2ccccn2)C[C@H]1C ZINC000539837010 869880103 /nfs/dbraw/zinc/88/01/03/869880103.db2.gz UDQJQVXAJDFKDH-NQIIRXRSSA-N 2 2 383.536 3.974 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OC(C)(C)C)cc1 ZINC000462809817 870104368 /nfs/dbraw/zinc/10/43/68/870104368.db2.gz SQAIGULJFBDMMD-XMSQKQJNSA-N 2 2 382.548 3.934 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OC(C)(C)C)cc1 ZINC000462809817 870104373 /nfs/dbraw/zinc/10/43/73/870104373.db2.gz SQAIGULJFBDMMD-XMSQKQJNSA-N 2 2 382.548 3.934 20 0 GHADLP CN(C(=O)CCCC(F)(F)F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539971501 870133252 /nfs/dbraw/zinc/13/32/52/870133252.db2.gz YNWIHTUBBORVKH-SJORKVTESA-N 2 2 377.495 3.515 20 0 GHADLP CN(C(=O)CCCC(F)(F)F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539971501 870133263 /nfs/dbraw/zinc/13/32/63/870133263.db2.gz YNWIHTUBBORVKH-SJORKVTESA-N 2 2 377.495 3.515 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)CC[C@H]21 ZINC000248004183 870260038 /nfs/dbraw/zinc/26/00/38/870260038.db2.gz KQYQLSAUKHAKMS-KJXAQDMKSA-N 2 2 387.543 3.589 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)CC[C@H]21 ZINC000248004183 870260055 /nfs/dbraw/zinc/26/00/55/870260055.db2.gz KQYQLSAUKHAKMS-KJXAQDMKSA-N 2 2 387.543 3.589 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)CC[C@H]21 ZINC000248004183 870260073 /nfs/dbraw/zinc/26/00/73/870260073.db2.gz KQYQLSAUKHAKMS-KJXAQDMKSA-N 2 2 387.543 3.589 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)CC[C@H]21 ZINC000248004183 870260091 /nfs/dbraw/zinc/26/00/91/870260091.db2.gz KQYQLSAUKHAKMS-KJXAQDMKSA-N 2 2 387.543 3.589 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000248132001 870296194 /nfs/dbraw/zinc/29/61/94/870296194.db2.gz OOISHPFVKGZSMT-HUVFLSCGSA-N 2 2 378.564 3.546 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000248132001 870296208 /nfs/dbraw/zinc/29/62/08/870296208.db2.gz OOISHPFVKGZSMT-HUVFLSCGSA-N 2 2 378.564 3.546 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000248132001 870296218 /nfs/dbraw/zinc/29/62/18/870296218.db2.gz OOISHPFVKGZSMT-HUVFLSCGSA-N 2 2 378.564 3.546 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000248132001 870296230 /nfs/dbraw/zinc/29/62/30/870296230.db2.gz OOISHPFVKGZSMT-HUVFLSCGSA-N 2 2 378.564 3.546 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(c3ccc(F)cc3F)CCCC2)CC1 ZINC000462907937 870361368 /nfs/dbraw/zinc/36/13/68/870361368.db2.gz WJWVJEYDZIVGQG-UHFFFAOYSA-N 2 2 394.506 3.784 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)s2)CC1 ZINC000462909488 870363181 /nfs/dbraw/zinc/36/31/81/870363181.db2.gz HRWAQDKLGXMBEW-LBPRGKRZSA-N 2 2 389.359 3.579 20 0 GHADLP CN(Cc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248429373 870411077 /nfs/dbraw/zinc/41/10/77/870411077.db2.gz TWYVDZRKXLNSBL-FCHUYYIVSA-N 2 2 386.584 3.507 20 0 GHADLP CN(Cc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248429373 870411088 /nfs/dbraw/zinc/41/10/88/870411088.db2.gz TWYVDZRKXLNSBL-FCHUYYIVSA-N 2 2 386.584 3.507 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CCCS2 ZINC000446835529 870519156 /nfs/dbraw/zinc/51/91/56/870519156.db2.gz OYEXGFHIWLMXHQ-GMAHTHKFSA-N 2 2 398.572 3.849 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CCCS2 ZINC000446835529 870519171 /nfs/dbraw/zinc/51/91/71/870519171.db2.gz OYEXGFHIWLMXHQ-GMAHTHKFSA-N 2 2 398.572 3.849 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@H]3c3cccc(Cl)c3)cn2)CC1 ZINC000446850799 870537918 /nfs/dbraw/zinc/53/79/18/870537918.db2.gz DBWQTKUHEHSNJD-FQEVSTJZSA-N 2 2 385.943 3.609 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@H]3c3cccc(Cl)c3)cn2)CC1 ZINC000446850799 870537947 /nfs/dbraw/zinc/53/79/47/870537947.db2.gz DBWQTKUHEHSNJD-FQEVSTJZSA-N 2 2 385.943 3.609 20 0 GHADLP CN(C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000248684714 870590777 /nfs/dbraw/zinc/59/07/77/870590777.db2.gz FZEGYHULGXMQDX-NHCUHLMSSA-N 2 2 390.547 3.651 20 0 GHADLP CN(C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000248684714 870590796 /nfs/dbraw/zinc/59/07/96/870590796.db2.gz FZEGYHULGXMQDX-NHCUHLMSSA-N 2 2 390.547 3.651 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(CN3CC[NH+]([C@H](C)c4ccsc4)CC3)sc2C1 ZINC000463054977 870798792 /nfs/dbraw/zinc/79/87/92/870798792.db2.gz PRPKVYWOEZRJAN-MRXNPFEDSA-N 2 2 390.622 3.850 20 0 GHADLP CC(C)[N@H+]1CCc2nc(CN3CC[NH+]([C@H](C)c4ccsc4)CC3)sc2C1 ZINC000463054977 870798797 /nfs/dbraw/zinc/79/87/97/870798797.db2.gz PRPKVYWOEZRJAN-MRXNPFEDSA-N 2 2 390.622 3.850 20 0 GHADLP Cc1ccc(SC2CCCC2)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617765278 870843238 /nfs/dbraw/zinc/84/32/38/870843238.db2.gz ZPCVRTDOFXRTIN-UHFFFAOYSA-N 2 2 377.598 3.643 20 0 GHADLP Cc1ccc(SC2CCCC2)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617765278 870843251 /nfs/dbraw/zinc/84/32/51/870843251.db2.gz ZPCVRTDOFXRTIN-UHFFFAOYSA-N 2 2 377.598 3.643 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CN1C(=O)OC(C)(C)C ZINC001168870916 870923743 /nfs/dbraw/zinc/92/37/43/870923743.db2.gz GNJYNMHVKSYHEH-GCJKJVERSA-N 2 2 399.579 3.907 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CN1C(=O)OC(C)(C)C ZINC001168870916 870923757 /nfs/dbraw/zinc/92/37/57/870923757.db2.gz GNJYNMHVKSYHEH-GCJKJVERSA-N 2 2 399.579 3.907 20 0 GHADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000461796060 870971789 /nfs/dbraw/zinc/97/17/89/870971789.db2.gz NDFDSRHKWBWQML-IOMROCGXSA-N 2 2 383.540 3.531 20 0 GHADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000461796060 870971798 /nfs/dbraw/zinc/97/17/98/870971798.db2.gz NDFDSRHKWBWQML-IOMROCGXSA-N 2 2 383.540 3.531 20 0 GHADLP CSc1ccccc1NC(=O)CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000429711843 871031115 /nfs/dbraw/zinc/03/11/15/871031115.db2.gz GKIYIRDENAKSHK-UHFFFAOYSA-N 2 2 385.533 3.984 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000429718066 871037165 /nfs/dbraw/zinc/03/71/65/871037165.db2.gz DRYGBNZJHMAUGB-HKUYNNGSSA-N 2 2 381.520 3.542 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000144392127 871105509 /nfs/dbraw/zinc/10/55/09/871105509.db2.gz BSNRGBMIORNSOB-OAQYLSRUSA-N 2 2 385.939 3.724 20 0 GHADLP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001169077484 871181759 /nfs/dbraw/zinc/18/17/59/871181759.db2.gz IVQNONDERQCMNE-QFIPXVFZSA-N 2 2 395.595 3.780 20 0 GHADLP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001169077484 871181764 /nfs/dbraw/zinc/18/17/64/871181764.db2.gz IVQNONDERQCMNE-QFIPXVFZSA-N 2 2 395.595 3.780 20 0 GHADLP C[C@H]1C[C@H](CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000539043105 871215716 /nfs/dbraw/zinc/21/57/16/871215716.db2.gz QCYSFKGPHXFXDP-UNMCSNQZSA-N 3 2 378.564 3.941 20 0 GHADLP C[C@H]1C[C@H](CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000539043105 871215734 /nfs/dbraw/zinc/21/57/34/871215734.db2.gz QCYSFKGPHXFXDP-UNMCSNQZSA-N 3 2 378.564 3.941 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001169128632 871216859 /nfs/dbraw/zinc/21/68/59/871216859.db2.gz GBDBZIUTJBWAHE-AINOVGTFSA-N 2 2 397.563 3.830 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001169128632 871216875 /nfs/dbraw/zinc/21/68/75/871216875.db2.gz GBDBZIUTJBWAHE-AINOVGTFSA-N 2 2 397.563 3.830 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001169128632 871216891 /nfs/dbraw/zinc/21/68/91/871216891.db2.gz GBDBZIUTJBWAHE-AINOVGTFSA-N 2 2 397.563 3.830 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001169128632 871216907 /nfs/dbraw/zinc/21/69/07/871216907.db2.gz GBDBZIUTJBWAHE-AINOVGTFSA-N 2 2 397.563 3.830 20 0 GHADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC[NH+]3CCOCC3)CC1)CCC2 ZINC000539048091 871225160 /nfs/dbraw/zinc/22/51/60/871225160.db2.gz YOSCBXNQVUKKFZ-DEOSSOPVSA-N 2 2 385.596 3.574 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)N1Cc2ccccc2C1 ZINC000463243287 871249341 /nfs/dbraw/zinc/24/93/41/871249341.db2.gz NYPWYDYBLYOYAQ-DNVFCKCGSA-N 2 2 377.532 3.560 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)N1Cc2ccccc2C1 ZINC000463243287 871249351 /nfs/dbraw/zinc/24/93/51/871249351.db2.gz NYPWYDYBLYOYAQ-DNVFCKCGSA-N 2 2 377.532 3.560 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2nc(-c3ccncc3)cs2)[C@H](C)C1 ZINC000539071254 871259638 /nfs/dbraw/zinc/25/96/38/871259638.db2.gz GTPMISZBURNSBN-LMMKCTJWSA-N 2 2 388.581 3.993 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2nc(-c3ccncc3)cs2)[C@H](C)C1 ZINC000539071254 871259654 /nfs/dbraw/zinc/25/96/54/871259654.db2.gz GTPMISZBURNSBN-LMMKCTJWSA-N 2 2 388.581 3.993 20 0 GHADLP Cc1ccc([C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C2CC2)cc1 ZINC000091310589 871272666 /nfs/dbraw/zinc/27/26/66/871272666.db2.gz MSXZFWGDIDPFGT-XMMPIXPASA-N 2 2 380.532 3.947 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1Cc3ccccc3C[C@H]1CNC(=O)OC(C)(C)C)C2 ZINC001169161737 871273706 /nfs/dbraw/zinc/27/37/06/871273706.db2.gz QJMLBGFQCIYJJW-BQJUDKOJSA-N 2 2 385.552 3.563 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1Cc3ccccc3C[C@H]1CNC(=O)OC(C)(C)C)C2 ZINC001169161737 871273726 /nfs/dbraw/zinc/27/37/26/871273726.db2.gz QJMLBGFQCIYJJW-BQJUDKOJSA-N 2 2 385.552 3.563 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1Cc3ccccc3C[C@H]1CNC(=O)OC(C)(C)C)C2 ZINC001169161737 871273743 /nfs/dbraw/zinc/27/37/43/871273743.db2.gz QJMLBGFQCIYJJW-BQJUDKOJSA-N 2 2 385.552 3.563 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1Cc3ccccc3C[C@H]1CNC(=O)OC(C)(C)C)C2 ZINC001169161737 871273755 /nfs/dbraw/zinc/27/37/55/871273755.db2.gz QJMLBGFQCIYJJW-BQJUDKOJSA-N 2 2 385.552 3.563 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)n2C ZINC000463283098 871328285 /nfs/dbraw/zinc/32/82/85/871328285.db2.gz OIVGUPSUYOSMRZ-IEBWSBKVSA-N 2 2 378.520 3.725 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)n2C ZINC000463283098 871328307 /nfs/dbraw/zinc/32/83/07/871328307.db2.gz OIVGUPSUYOSMRZ-IEBWSBKVSA-N 2 2 378.520 3.725 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(c3ccccc3OC)CCCC2)CC1 ZINC000463291413 871385315 /nfs/dbraw/zinc/38/53/15/871385315.db2.gz ZMXRJNRTSDNKML-UHFFFAOYSA-N 2 2 388.552 3.514 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000506663267 871436083 /nfs/dbraw/zinc/43/60/83/871436083.db2.gz VNODGEFYDPAHFE-UHFFFAOYSA-N 2 2 377.330 3.551 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000506663267 871436091 /nfs/dbraw/zinc/43/60/91/871436091.db2.gz VNODGEFYDPAHFE-UHFFFAOYSA-N 2 2 377.330 3.551 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NCCc3ccc(OC(F)(F)F)cc3)c2)C1 ZINC001169353609 871445391 /nfs/dbraw/zinc/44/53/91/871445391.db2.gz RSJFDVNHMHOOOY-QGZVFWFLSA-N 2 2 379.426 3.773 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NCCc3ccc(OC(F)(F)F)cc3)c2)C1 ZINC001169353609 871445408 /nfs/dbraw/zinc/44/54/08/871445408.db2.gz RSJFDVNHMHOOOY-QGZVFWFLSA-N 2 2 379.426 3.773 20 0 GHADLP CCOC(=O)C1(Nc2ccc3[nH]c(-c4ccccc4)[nH+]c3c2)CC[NH+](C)CC1 ZINC001169496092 871553084 /nfs/dbraw/zinc/55/30/84/871553084.db2.gz RXVAFJLQJSLNIY-UHFFFAOYSA-N 2 2 378.476 3.669 20 0 GHADLP C[C@@]([NH3+])(C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000447433256 871641041 /nfs/dbraw/zinc/64/10/41/871641041.db2.gz ACVRAMILLMFTCH-NQIIRXRSSA-N 2 2 389.902 3.606 20 0 GHADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cc2cc(Br)ccc2o1 ZINC000540595009 871656211 /nfs/dbraw/zinc/65/62/11/871656211.db2.gz MHRNZFRTDHYWFI-PBHICJAKSA-N 2 2 395.341 3.939 20 0 GHADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000447566047 871876259 /nfs/dbraw/zinc/87/62/59/871876259.db2.gz PVPJRGOGRMFPSJ-JRPNMDOOSA-N 2 2 392.712 3.763 20 0 GHADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000447566047 871876276 /nfs/dbraw/zinc/87/62/76/871876276.db2.gz PVPJRGOGRMFPSJ-JRPNMDOOSA-N 2 2 392.712 3.763 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@H](C)[N@H+](Cc3ccccc3)CC1)C2 ZINC000526020339 871960086 /nfs/dbraw/zinc/96/00/86/871960086.db2.gz VIXIAPIWNWNMNY-AZUAARDMSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@H](C)[N@@H+](Cc3ccccc3)CC1)C2 ZINC000526020339 871960093 /nfs/dbraw/zinc/96/00/93/871960093.db2.gz VIXIAPIWNWNMNY-AZUAARDMSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@H](C)[N@H+](Cc3ccccc3)CC1)CC2 ZINC000526020339 871960101 /nfs/dbraw/zinc/96/01/01/871960101.db2.gz VIXIAPIWNWNMNY-AZUAARDMSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@H](C)[N@@H+](Cc3ccccc3)CC1)CC2 ZINC000526020339 871960102 /nfs/dbraw/zinc/96/01/02/871960102.db2.gz VIXIAPIWNWNMNY-AZUAARDMSA-N 2 2 394.563 3.761 20 0 GHADLP CN(C(=O)c1sccc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000552114851 872041223 /nfs/dbraw/zinc/04/12/23/872041223.db2.gz ASGLZPQBDZFOOG-SJORKVTESA-N 2 2 383.989 3.811 20 0 GHADLP CN(C(=O)c1sccc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000552114851 872041246 /nfs/dbraw/zinc/04/12/46/872041246.db2.gz ASGLZPQBDZFOOG-SJORKVTESA-N 2 2 383.989 3.811 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1nc2ccc(Cl)cc2n1C ZINC000540757437 872070017 /nfs/dbraw/zinc/07/00/17/872070017.db2.gz UAEFSTGHZRUNHB-YOEHRIQHSA-N 2 2 398.942 3.935 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(C)c1 ZINC000775627056 872085391 /nfs/dbraw/zinc/08/53/91/872085391.db2.gz FZOONNUHWCYNKP-QUCCMNQESA-N 2 2 384.524 3.840 20 0 GHADLP C[NH+](C)[C@@H](C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)c1cccc(Cl)c1 ZINC000447728068 872168711 /nfs/dbraw/zinc/16/87/11/872168711.db2.gz KXUZYSRPCCGTFJ-RTBURBONSA-N 2 2 387.911 3.967 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3Cc4ccccc4C[C@H]3c3ccccc3)cn2)CC1 ZINC000093614619 872298947 /nfs/dbraw/zinc/29/89/47/872298947.db2.gz YRIVYRZSYJOOSF-DEOSSOPVSA-N 2 2 399.542 3.528 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@H+]3Cc4ccccc4C[C@H]3c3ccccc3)cn2)CC1 ZINC000093614619 872298964 /nfs/dbraw/zinc/29/89/64/872298964.db2.gz YRIVYRZSYJOOSF-DEOSSOPVSA-N 2 2 399.542 3.528 20 0 GHADLP CC[N@@H+](Cc1cnc2nc(C)cc(C)n12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818782 872440087 /nfs/dbraw/zinc/44/00/87/872440087.db2.gz AKXDLCMMYXZTMD-NRFANRHFSA-N 2 2 377.536 3.690 20 0 GHADLP CC[N@H+](Cc1cnc2nc(C)cc(C)n12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818782 872440092 /nfs/dbraw/zinc/44/00/92/872440092.db2.gz AKXDLCMMYXZTMD-NRFANRHFSA-N 2 2 377.536 3.690 20 0 GHADLP CC[NH+](Cc1cnc2nc(C)cc(C)n12)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818782 872440100 /nfs/dbraw/zinc/44/01/00/872440100.db2.gz AKXDLCMMYXZTMD-NRFANRHFSA-N 2 2 377.536 3.690 20 0 GHADLP CC[NH+](Cc1cnc2nc(C)cc(C)n12)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818782 872440107 /nfs/dbraw/zinc/44/01/07/872440107.db2.gz AKXDLCMMYXZTMD-NRFANRHFSA-N 2 2 377.536 3.690 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC000527013375 872471513 /nfs/dbraw/zinc/47/15/13/872471513.db2.gz OHAZLBWAEOYTJL-DFQSSKMNSA-N 2 2 394.563 3.807 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC000527013375 872471523 /nfs/dbraw/zinc/47/15/23/872471523.db2.gz OHAZLBWAEOYTJL-DFQSSKMNSA-N 2 2 394.563 3.807 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000527013375 872471537 /nfs/dbraw/zinc/47/15/37/872471537.db2.gz OHAZLBWAEOYTJL-DFQSSKMNSA-N 2 2 394.563 3.807 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000527013375 872471550 /nfs/dbraw/zinc/47/15/50/872471550.db2.gz OHAZLBWAEOYTJL-DFQSSKMNSA-N 2 2 394.563 3.807 20 0 GHADLP C[NH+]1CCN([C@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)c2cccs2)CC1 ZINC000540915491 872493941 /nfs/dbraw/zinc/49/39/41/872493941.db2.gz XIJZKPBJVWXOQS-FYYLOGMGSA-N 2 2 392.572 3.811 20 0 GHADLP C[NH+]1CCN([C@@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)c2cccs2)CC1 ZINC000540915494 872494571 /nfs/dbraw/zinc/49/45/71/872494571.db2.gz XIJZKPBJVWXOQS-JTHBVZDNSA-N 2 2 392.572 3.811 20 0 GHADLP CCCCOc1ccccc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000463747607 872496504 /nfs/dbraw/zinc/49/65/04/872496504.db2.gz SUZNLGCDNVTXGA-UHFFFAOYSA-N 2 2 382.552 3.825 20 0 GHADLP CC(C)(C)OC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001195795759 872669126 /nfs/dbraw/zinc/66/91/26/872669126.db2.gz BRFCDRBRTUCNBY-NRFANRHFSA-N 2 2 388.552 3.605 20 0 GHADLP CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001195795759 872669131 /nfs/dbraw/zinc/66/91/31/872669131.db2.gz BRFCDRBRTUCNBY-NRFANRHFSA-N 2 2 388.552 3.605 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3F)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000552567939 872863058 /nfs/dbraw/zinc/86/30/58/872863058.db2.gz FSOMTMGAUMOIBG-LMNJBCLMSA-N 2 2 381.495 3.574 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3F)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000552567939 872863068 /nfs/dbraw/zinc/86/30/68/872863068.db2.gz FSOMTMGAUMOIBG-LMNJBCLMSA-N 2 2 381.495 3.574 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001170444968 882665865 /nfs/dbraw/zinc/66/58/65/882665865.db2.gz UVZGTLWGYDVKCT-IEBWSBKVSA-N 2 2 398.551 3.850 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001170444968 882665869 /nfs/dbraw/zinc/66/58/69/882665869.db2.gz UVZGTLWGYDVKCT-IEBWSBKVSA-N 2 2 398.551 3.850 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001170444968 882665874 /nfs/dbraw/zinc/66/58/74/882665874.db2.gz UVZGTLWGYDVKCT-IEBWSBKVSA-N 2 2 398.551 3.850 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001170444968 882665883 /nfs/dbraw/zinc/66/58/83/882665883.db2.gz UVZGTLWGYDVKCT-IEBWSBKVSA-N 2 2 398.551 3.850 20 0 GHADLP CCCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000152911474 872965443 /nfs/dbraw/zinc/96/54/43/872965443.db2.gz PBDUWXVMQRAMJG-CBQOVEMMSA-N 2 2 386.584 3.856 20 0 GHADLP CCCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000152911474 872965448 /nfs/dbraw/zinc/96/54/48/872965448.db2.gz PBDUWXVMQRAMJG-CBQOVEMMSA-N 2 2 386.584 3.856 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[NH+]3CCC(c4ccon4)CC3)CC2)cc1 ZINC001196262700 872976631 /nfs/dbraw/zinc/97/66/31/872976631.db2.gz HVKIXFRCTNUYFO-UHFFFAOYSA-N 2 2 388.943 3.720 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@@H](C[NH+]3CCC(C)CC3)C1)C2 ZINC000527531193 873222345 /nfs/dbraw/zinc/22/23/45/873222345.db2.gz OLOTYRMGLOUJPQ-RBUKOAKNSA-N 2 2 386.584 3.609 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H](C[NH+]3CCC(C)CC3)C1)CC2 ZINC000527531193 873222355 /nfs/dbraw/zinc/22/23/55/873222355.db2.gz OLOTYRMGLOUJPQ-RBUKOAKNSA-N 2 2 386.584 3.609 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2ccc(-c3ccccc3F)o2)([NH+]2CCCCC2)CC1 ZINC000460482434 882700253 /nfs/dbraw/zinc/70/02/53/882700253.db2.gz DZVCKRDKLUILEK-UHFFFAOYSA-N 2 2 399.510 3.766 20 0 GHADLP C[N@H+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001196574989 873232966 /nfs/dbraw/zinc/23/29/66/873232966.db2.gz RFAFBANMNGHYSU-SDHOMARFSA-N 2 2 394.559 3.866 20 0 GHADLP C[N@@H+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001196574989 873232979 /nfs/dbraw/zinc/23/29/79/873232979.db2.gz RFAFBANMNGHYSU-SDHOMARFSA-N 2 2 394.559 3.866 20 0 GHADLP C[NH+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001196574989 873232993 /nfs/dbraw/zinc/23/29/93/873232993.db2.gz RFAFBANMNGHYSU-SDHOMARFSA-N 2 2 394.559 3.866 20 0 GHADLP C[NH+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001196574989 873233013 /nfs/dbraw/zinc/23/30/13/873233013.db2.gz RFAFBANMNGHYSU-SDHOMARFSA-N 2 2 394.559 3.866 20 0 GHADLP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ncc(Cl)cc2Br)c1 ZINC000527641928 873392203 /nfs/dbraw/zinc/39/22/03/873392203.db2.gz WERDZMDXNZOKOL-UHFFFAOYSA-N 2 2 398.732 3.728 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCc2ccccc2NC1=O ZINC000192049784 882721777 /nfs/dbraw/zinc/72/17/77/882721777.db2.gz AADZVQQQTUVJPB-OAQYLSRUSA-N 2 2 378.520 3.573 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCc2ccccc2NC1=O ZINC000192049784 882721790 /nfs/dbraw/zinc/72/17/90/882721790.db2.gz AADZVQQQTUVJPB-OAQYLSRUSA-N 2 2 378.520 3.573 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](C[NH+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)c1ccccc1 ZINC001196869683 873446133 /nfs/dbraw/zinc/44/61/33/873446133.db2.gz PLZFSUPCWSDHBT-IMBSWCNGSA-N 2 2 396.600 3.888 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)c1ccccc1 ZINC001196869683 873446136 /nfs/dbraw/zinc/44/61/36/873446136.db2.gz PLZFSUPCWSDHBT-IMBSWCNGSA-N 2 2 396.600 3.888 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)c1ccccc1 ZINC001196869683 873446143 /nfs/dbraw/zinc/44/61/43/873446143.db2.gz PLZFSUPCWSDHBT-IMBSWCNGSA-N 2 2 396.600 3.888 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)c1ccccc1 ZINC001196869683 873446147 /nfs/dbraw/zinc/44/61/47/873446147.db2.gz PLZFSUPCWSDHBT-IMBSWCNGSA-N 2 2 396.600 3.888 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2nc3ccccc3s2)cc1 ZINC001198006983 874158755 /nfs/dbraw/zinc/15/87/55/874158755.db2.gz GSEWSUQJKMLHMK-UHFFFAOYSA-N 2 2 382.533 3.932 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2nc3ccccc3s2)cc1 ZINC001198006983 874158761 /nfs/dbraw/zinc/15/87/61/874158761.db2.gz GSEWSUQJKMLHMK-UHFFFAOYSA-N 2 2 382.533 3.932 20 0 GHADLP C[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198008537 874160361 /nfs/dbraw/zinc/16/03/61/874160361.db2.gz YBKXEAVUWFZGIM-LJQANCHMSA-N 2 2 379.548 3.830 20 0 GHADLP C[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198008537 874160366 /nfs/dbraw/zinc/16/03/66/874160366.db2.gz YBKXEAVUWFZGIM-LJQANCHMSA-N 2 2 379.548 3.830 20 0 GHADLP CN(CCc1ccc(F)cc1)C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198017761 874165947 /nfs/dbraw/zinc/16/59/47/874165947.db2.gz CIOHIBQTZCETAH-UHFFFAOYSA-N 2 2 385.527 3.524 20 0 GHADLP CN(CCc1ccc(F)cc1)C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198017761 874165954 /nfs/dbraw/zinc/16/59/54/874165954.db2.gz CIOHIBQTZCETAH-UHFFFAOYSA-N 2 2 385.527 3.524 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccc(C(F)F)cn2)cc1 ZINC001198017919 874166011 /nfs/dbraw/zinc/16/60/11/874166011.db2.gz NHJUERSZUBYGQP-UHFFFAOYSA-N 2 2 376.451 3.655 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccc(C(F)F)cn2)cc1 ZINC001198017919 874166020 /nfs/dbraw/zinc/16/60/20/874166020.db2.gz NHJUERSZUBYGQP-UHFFFAOYSA-N 2 2 376.451 3.655 20 0 GHADLP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000769962769 874367005 /nfs/dbraw/zinc/36/70/05/874367005.db2.gz QHFOXKUWZHECOJ-YLJYHZDGSA-N 2 2 396.535 3.742 20 0 GHADLP CC1(C)C[C@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000769930940 874374342 /nfs/dbraw/zinc/37/43/42/874374342.db2.gz QSLMUDFHYSDNAR-MHIUNMELSA-N 2 2 379.548 3.855 20 0 GHADLP CC1(C)C[C@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000769930940 874374359 /nfs/dbraw/zinc/37/43/59/874374359.db2.gz QSLMUDFHYSDNAR-MHIUNMELSA-N 2 2 379.548 3.855 20 0 GHADLP COc1ccccc1[C@H](C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)N(C)C ZINC000449061526 874399010 /nfs/dbraw/zinc/39/90/10/874399010.db2.gz GMHYNSQCFZXVGP-RDPSFJRHSA-N 2 2 395.591 3.983 20 0 GHADLP COc1ccccc1[C@H](CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)[NH+](C)C ZINC000449061526 874399029 /nfs/dbraw/zinc/39/90/29/874399029.db2.gz GMHYNSQCFZXVGP-RDPSFJRHSA-N 2 2 395.591 3.983 20 0 GHADLP O=C(CC[N@@H+]1CCCC2(C1)CCCCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000464765809 874456499 /nfs/dbraw/zinc/45/64/99/874456499.db2.gz QIBSZMSDPCRJKW-UHFFFAOYSA-N 2 2 384.568 3.557 20 0 GHADLP O=C(CC[N@H+]1CCCC2(C1)CCCCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000464765809 874456508 /nfs/dbraw/zinc/45/65/08/874456508.db2.gz QIBSZMSDPCRJKW-UHFFFAOYSA-N 2 2 384.568 3.557 20 0 GHADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000449143167 874531834 /nfs/dbraw/zinc/53/18/34/874531834.db2.gz HOFIWLOBOKVHHC-GCJKJVERSA-N 2 2 395.522 3.616 20 0 GHADLP CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845432 874625562 /nfs/dbraw/zinc/62/55/62/874625562.db2.gz FTKXWWLNQZVLGH-XMMPIXPASA-N 2 2 393.575 3.878 20 0 GHADLP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845432 874625567 /nfs/dbraw/zinc/62/55/67/874625567.db2.gz FTKXWWLNQZVLGH-XMMPIXPASA-N 2 2 393.575 3.878 20 0 GHADLP CC(C)N(Cc1ccccc1)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845432 874625574 /nfs/dbraw/zinc/62/55/74/874625574.db2.gz FTKXWWLNQZVLGH-XMMPIXPASA-N 2 2 393.575 3.878 20 0 GHADLP CC(C)N(Cc1ccccc1)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845432 874625592 /nfs/dbraw/zinc/62/55/92/874625592.db2.gz FTKXWWLNQZVLGH-XMMPIXPASA-N 2 2 393.575 3.878 20 0 GHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CCCO1 ZINC000449286898 874673123 /nfs/dbraw/zinc/67/31/23/874673123.db2.gz VOIXWPZJIDDPID-AWEZNQCLSA-N 2 2 381.492 3.679 20 0 GHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CCCO1 ZINC000449286898 874673126 /nfs/dbraw/zinc/67/31/26/874673126.db2.gz VOIXWPZJIDDPID-AWEZNQCLSA-N 2 2 381.492 3.679 20 0 GHADLP C[C@H](C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1cc(F)cc(F)c1 ZINC000449318353 874724283 /nfs/dbraw/zinc/72/42/83/874724283.db2.gz CRLVRYQHHDQLTA-DVECYGJZSA-N 2 2 399.529 3.960 20 0 GHADLP C[C@H](C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1cc(F)cc(F)c1 ZINC000449318353 874724293 /nfs/dbraw/zinc/72/42/93/874724293.db2.gz CRLVRYQHHDQLTA-DVECYGJZSA-N 2 2 399.529 3.960 20 0 GHADLP C[C@@H](C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1cc(F)cc(F)c1 ZINC000449318348 874724694 /nfs/dbraw/zinc/72/46/94/874724694.db2.gz CRLVRYQHHDQLTA-CYFREDJKSA-N 2 2 399.529 3.960 20 0 GHADLP C[C@@H](C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1cc(F)cc(F)c1 ZINC000449318348 874724702 /nfs/dbraw/zinc/72/47/02/874724702.db2.gz CRLVRYQHHDQLTA-CYFREDJKSA-N 2 2 399.529 3.960 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cn2c(=O)sc3c2CC[C@H](C)C3)CC1)CC1CC1 ZINC000770686714 874822972 /nfs/dbraw/zinc/82/29/72/874822972.db2.gz PVVYUJYDXQUPQR-KRWDZBQOSA-N 2 2 391.625 3.826 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cn2c(=O)sc3c2CC[C@H](C)C3)CC1)CC1CC1 ZINC000770686714 874822984 /nfs/dbraw/zinc/82/29/84/874822984.db2.gz PVVYUJYDXQUPQR-KRWDZBQOSA-N 2 2 391.625 3.826 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1C ZINC000858146595 882882515 /nfs/dbraw/zinc/88/25/15/882882515.db2.gz HRIDGWIYFGUGNB-UHFFFAOYSA-N 2 2 398.551 3.633 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)Cc3ccn(C(C)C)n3)CC2)cc1 ZINC000449525401 875003126 /nfs/dbraw/zinc/00/31/26/875003126.db2.gz RTYQECMCFVQOCJ-SFHVURJKSA-N 2 2 397.567 3.608 20 0 GHADLP CC(C)[C@@H](CNC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000542131926 875026229 /nfs/dbraw/zinc/02/62/29/875026229.db2.gz BFUYMNAHSDFGAW-HSZRJFAPSA-N 2 2 396.579 3.931 20 0 GHADLP CC(C)(C)C1CCC(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001199896473 875216381 /nfs/dbraw/zinc/21/63/81/875216381.db2.gz LXBSZSWDJFVJJB-UHFFFAOYSA-N 2 2 386.584 3.562 20 0 GHADLP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)cc2)C1 ZINC000465197343 875306244 /nfs/dbraw/zinc/30/62/44/875306244.db2.gz YKINQMDQHDWLHL-GOSISDBHSA-N 2 2 390.487 3.845 20 0 GHADLP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)cc2)C1 ZINC000465197343 875306263 /nfs/dbraw/zinc/30/62/63/875306263.db2.gz YKINQMDQHDWLHL-GOSISDBHSA-N 2 2 390.487 3.845 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1 ZINC001201666737 875805033 /nfs/dbraw/zinc/80/50/33/875805033.db2.gz YIKZDESOLOWVMW-UHFFFAOYSA-N 3 2 390.535 3.945 20 0 GHADLP C[C@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000776217334 875891136 /nfs/dbraw/zinc/89/11/36/875891136.db2.gz LMDKXXYTNWMIMU-FQEVSTJZSA-N 2 2 382.552 3.806 20 0 GHADLP Fc1cc(Br)c(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1F ZINC001202315562 876133615 /nfs/dbraw/zinc/13/36/15/876133615.db2.gz XNZWMMNYQJCJQM-UHFFFAOYSA-N 2 2 379.208 3.598 20 0 GHADLP C[C@@H]1C[C@H](CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC(C)(C)C1 ZINC000303973329 876151273 /nfs/dbraw/zinc/15/12/73/876151273.db2.gz UPCPDRZELCGSLW-WOJBJXKFSA-N 2 2 377.617 3.905 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000173359125 876338995 /nfs/dbraw/zinc/33/89/95/876338995.db2.gz ZTOZWYAUDUKKLT-INIZCTEOSA-N 2 2 376.447 3.527 20 0 GHADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000492209129 876440220 /nfs/dbraw/zinc/44/02/20/876440220.db2.gz KBDVNMODQWSTGE-QHCPKHFHSA-N 2 2 399.966 3.962 20 0 GHADLP OCc1cc(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc[nH+]1 ZINC000858327200 883028697 /nfs/dbraw/zinc/02/86/97/883028697.db2.gz LFUZRPZYHXNMJY-UHFFFAOYSA-N 2 2 395.453 3.764 20 0 GHADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000858367000 883051610 /nfs/dbraw/zinc/05/16/10/883051610.db2.gz HJUOCUICPNFSGO-MSOLQXFVSA-N 2 2 387.549 3.622 20 0 GHADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000858367000 883051628 /nfs/dbraw/zinc/05/16/28/883051628.db2.gz HJUOCUICPNFSGO-MSOLQXFVSA-N 2 2 387.549 3.622 20 0 GHADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000530029850 876991659 /nfs/dbraw/zinc/99/16/59/876991659.db2.gz XEASSBFPAFIOJC-QUCCMNQESA-N 2 2 384.568 3.626 20 0 GHADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000530029850 876991666 /nfs/dbraw/zinc/99/16/66/876991666.db2.gz XEASSBFPAFIOJC-QUCCMNQESA-N 2 2 384.568 3.626 20 0 GHADLP CC[N@@H+](CC(=O)Nc1cc(C)ccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391953 877002085 /nfs/dbraw/zinc/00/20/85/877002085.db2.gz NHCOXESKCHKMSV-UHFFFAOYSA-N 2 2 396.535 3.576 20 0 GHADLP CC[N@H+](CC(=O)Nc1cc(C)ccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391953 877002105 /nfs/dbraw/zinc/00/21/05/877002105.db2.gz NHCOXESKCHKMSV-UHFFFAOYSA-N 2 2 396.535 3.576 20 0 GHADLP FC1(c2ccccn2)CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000450934674 877089815 /nfs/dbraw/zinc/08/98/15/877089815.db2.gz XCFOCMVJMNWCBI-UHFFFAOYSA-N 2 2 382.527 3.555 20 0 GHADLP CC[N@@H+](Cc1cc(Br)nn1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000787197614 877243755 /nfs/dbraw/zinc/24/37/55/877243755.db2.gz RQFICSVYXKQLJX-QGZVFWFLSA-N 2 2 391.357 3.527 20 0 GHADLP CC[N@H+](Cc1cc(Br)nn1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000787197614 877243776 /nfs/dbraw/zinc/24/37/76/877243776.db2.gz RQFICSVYXKQLJX-QGZVFWFLSA-N 2 2 391.357 3.527 20 0 GHADLP CC[NH+](Cc1cc(Br)nn1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000787197614 877243792 /nfs/dbraw/zinc/24/37/92/877243792.db2.gz RQFICSVYXKQLJX-QGZVFWFLSA-N 2 2 391.357 3.527 20 0 GHADLP CC[NH+](Cc1cc(Br)nn1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000787197614 877243810 /nfs/dbraw/zinc/24/38/10/877243810.db2.gz RQFICSVYXKQLJX-QGZVFWFLSA-N 2 2 391.357 3.527 20 0 GHADLP C[N@@H+]1CCC[C@]2(CC[NH+](CCCC(=O)c3ccc(Br)cc3)C2)C1 ZINC000451069724 877303981 /nfs/dbraw/zinc/30/39/81/877303981.db2.gz MKMMVEFJHFOPND-IBGZPJMESA-N 2 2 379.342 3.830 20 0 GHADLP C[N@H+]1CCC[C@]2(CC[NH+](CCCC(=O)c3ccc(Br)cc3)C2)C1 ZINC000451069724 877304003 /nfs/dbraw/zinc/30/40/03/877304003.db2.gz MKMMVEFJHFOPND-IBGZPJMESA-N 2 2 379.342 3.830 20 0 GHADLP C[NH+]1CCC[C@]2(CC[N@H+](CCCC(=O)c3ccc(Br)cc3)C2)C1 ZINC000451069724 877304023 /nfs/dbraw/zinc/30/40/23/877304023.db2.gz MKMMVEFJHFOPND-IBGZPJMESA-N 2 2 379.342 3.830 20 0 GHADLP C[NH+]1CCC[C@]2(CC[N@@H+](CCCC(=O)c3ccc(Br)cc3)C2)C1 ZINC000451069724 877304041 /nfs/dbraw/zinc/30/40/41/877304041.db2.gz MKMMVEFJHFOPND-IBGZPJMESA-N 2 2 379.342 3.830 20 0 GHADLP C[C@@H]1CN(CCC[NH+]2CCCCC2)C(C)(C)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000451082393 877335279 /nfs/dbraw/zinc/33/52/79/877335279.db2.gz MJRSAXLCQRLYBE-JOCHJYFZSA-N 3 2 378.649 3.523 20 0 GHADLP C[C@@H]1CN(CCC[NH+]2CCCCC2)C(C)(C)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000451082393 877335290 /nfs/dbraw/zinc/33/52/90/877335290.db2.gz MJRSAXLCQRLYBE-JOCHJYFZSA-N 3 2 378.649 3.523 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)C(C)(C)CN1CCC[NH+]1CCCCC1 ZINC000451082393 877335301 /nfs/dbraw/zinc/33/53/01/877335301.db2.gz MJRSAXLCQRLYBE-JOCHJYFZSA-N 3 2 378.649 3.523 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)C(C)(C)CN1CCC[NH+]1CCCCC1 ZINC000451082393 877335312 /nfs/dbraw/zinc/33/53/12/877335312.db2.gz MJRSAXLCQRLYBE-JOCHJYFZSA-N 3 2 378.649 3.523 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)[C@@H](C)C1 ZINC000245433536 877871699 /nfs/dbraw/zinc/87/16/99/877871699.db2.gz PHQQWQSYTQUJAR-GREBRCKQSA-N 2 2 399.604 3.924 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)[C@@H](C)C1 ZINC000245433536 877871708 /nfs/dbraw/zinc/87/17/08/877871708.db2.gz PHQQWQSYTQUJAR-GREBRCKQSA-N 2 2 399.604 3.924 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)[C@@H](C)C1 ZINC000245433536 877871720 /nfs/dbraw/zinc/87/17/20/877871720.db2.gz PHQQWQSYTQUJAR-GREBRCKQSA-N 2 2 399.604 3.924 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)[C@@H](C)C1 ZINC000245433536 877871732 /nfs/dbraw/zinc/87/17/32/877871732.db2.gz PHQQWQSYTQUJAR-GREBRCKQSA-N 2 2 399.604 3.924 20 0 GHADLP CCN(C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000245439782 877881660 /nfs/dbraw/zinc/88/16/60/877881660.db2.gz FYCUZXYPLBZHSZ-OALUTQOASA-N 2 2 375.532 3.543 20 0 GHADLP CCN(C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000245439782 877881701 /nfs/dbraw/zinc/88/17/01/877881701.db2.gz FYCUZXYPLBZHSZ-OALUTQOASA-N 2 2 375.532 3.543 20 0 GHADLP CCN(C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000245439625 877882512 /nfs/dbraw/zinc/88/25/12/877882512.db2.gz FYCUZXYPLBZHSZ-MOPGFXCFSA-N 2 2 375.532 3.543 20 0 GHADLP CCN(C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000245439625 877882517 /nfs/dbraw/zinc/88/25/17/877882517.db2.gz FYCUZXYPLBZHSZ-MOPGFXCFSA-N 2 2 375.532 3.543 20 0 GHADLP C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000788260143 877965835 /nfs/dbraw/zinc/96/58/35/877965835.db2.gz UQFNNLULLKTZEZ-MJGOQNOKSA-N 2 2 375.557 3.585 20 0 GHADLP C[C@@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000477655940 877999570 /nfs/dbraw/zinc/99/95/70/877999570.db2.gz WEMWMZABBVQNQN-KURKYZTESA-N 2 2 384.524 3.619 20 0 GHADLP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H]3C[NH+](Cc4ccccc4)CCO3)c2C1 ZINC000175941256 878005219 /nfs/dbraw/zinc/00/52/19/878005219.db2.gz BBYRLPRQCNNGML-OAQYLSRUSA-N 2 2 393.531 3.642 20 0 GHADLP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H]3C[NH+](Cc4ccccc4)CCO3)c2C1 ZINC000175941256 878005238 /nfs/dbraw/zinc/00/52/38/878005238.db2.gz BBYRLPRQCNNGML-OAQYLSRUSA-N 2 2 393.531 3.642 20 0 GHADLP CCC[NH+]1Cc2cccc(NC(=O)C[C@@H]3C[N@H+](Cc4ccccc4)CCO3)c2C1 ZINC000175941256 878005256 /nfs/dbraw/zinc/00/52/56/878005256.db2.gz BBYRLPRQCNNGML-OAQYLSRUSA-N 2 2 393.531 3.642 20 0 GHADLP CCC[NH+]1Cc2cccc(NC(=O)C[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)c2C1 ZINC000175941256 878005276 /nfs/dbraw/zinc/00/52/76/878005276.db2.gz BBYRLPRQCNNGML-OAQYLSRUSA-N 2 2 393.531 3.642 20 0 GHADLP Cc1cccc([C@H]2CC(=O)N(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)C2)c1 ZINC000788380971 878045876 /nfs/dbraw/zinc/04/58/76/878045876.db2.gz AHHXRTPVJLZQTN-NRFANRHFSA-N 2 2 392.547 3.681 20 0 GHADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451538657 878098420 /nfs/dbraw/zinc/09/84/20/878098420.db2.gz TWXCGDYHDCWGNL-AVRDEDQJSA-N 2 2 393.522 3.682 20 0 GHADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451538657 878098435 /nfs/dbraw/zinc/09/84/35/878098435.db2.gz TWXCGDYHDCWGNL-AVRDEDQJSA-N 2 2 393.522 3.682 20 0 GHADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451538657 878098455 /nfs/dbraw/zinc/09/84/55/878098455.db2.gz TWXCGDYHDCWGNL-AVRDEDQJSA-N 2 2 393.522 3.682 20 0 GHADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451538657 878098472 /nfs/dbraw/zinc/09/84/72/878098472.db2.gz TWXCGDYHDCWGNL-AVRDEDQJSA-N 2 2 393.522 3.682 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4ccc(Cl)nc43)cc2)CC1 ZINC000788538939 878132872 /nfs/dbraw/zinc/13/28/72/878132872.db2.gz IVDNMJOPMMHBOU-FQEVSTJZSA-N 2 2 384.955 3.650 20 0 GHADLP CN(C(=O)Nc1ccc2c(c1)CCC2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245576648 878135056 /nfs/dbraw/zinc/13/50/56/878135056.db2.gz GBYHSIMVRVJIOR-XZOQPEGZSA-N 2 2 398.595 3.976 20 0 GHADLP CN(C(=O)Nc1ccc2c(c1)CCC2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245576648 878135063 /nfs/dbraw/zinc/13/50/63/878135063.db2.gz GBYHSIMVRVJIOR-XZOQPEGZSA-N 2 2 398.595 3.976 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)NCCNc1cccc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000537721177 878195159 /nfs/dbraw/zinc/19/51/59/878195159.db2.gz WWQKMMTUWVDTRH-GOSISDBHSA-N 2 2 394.441 3.712 20 0 GHADLP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cn1ncn(C(C)(C)C)c1=S ZINC000179916944 878213310 /nfs/dbraw/zinc/21/33/10/878213310.db2.gz GUIZMXMZCROHPI-UHFFFAOYSA-N 2 2 388.585 3.760 20 0 GHADLP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cn1ncn(C(C)(C)C)c1=S ZINC000179916944 878213319 /nfs/dbraw/zinc/21/33/19/878213319.db2.gz GUIZMXMZCROHPI-UHFFFAOYSA-N 2 2 388.585 3.760 20 0 GHADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000451985158 878776259 /nfs/dbraw/zinc/77/62/59/878776259.db2.gz MEVNNRMNQSKDRO-UHFFFAOYSA-N 2 2 376.932 3.501 20 0 GHADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000054382574 878801343 /nfs/dbraw/zinc/80/13/43/878801343.db2.gz FXGRPECSAQDYCI-INIZCTEOSA-N 2 2 393.601 3.761 20 0 GHADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000054382574 878801350 /nfs/dbraw/zinc/80/13/50/878801350.db2.gz FXGRPECSAQDYCI-INIZCTEOSA-N 2 2 393.601 3.761 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)ccc2[nH+]1 ZINC000530949371 878824234 /nfs/dbraw/zinc/82/42/34/878824234.db2.gz GTAVHILISVNJLP-MJGOQNOKSA-N 2 2 377.492 3.817 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)ccc2[nH+]1 ZINC000530949371 878824242 /nfs/dbraw/zinc/82/42/42/878824242.db2.gz GTAVHILISVNJLP-MJGOQNOKSA-N 2 2 377.492 3.817 20 0 GHADLP Fc1cccc(-c2nnc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)o2)c1 ZINC000789357786 878845980 /nfs/dbraw/zinc/84/59/80/878845980.db2.gz OQOIUKNUAMZRSX-UHFFFAOYSA-N 2 2 381.455 3.788 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CCCC1)c1ccccc1 ZINC000246015855 878857213 /nfs/dbraw/zinc/85/72/13/878857213.db2.gz IYSCNJRAKBJSMH-YSIASYRMSA-N 2 2 378.582 3.595 20 0 GHADLP CC1CC[NH+]([C@@H](CNC(=O)NCc2ccn3cc[nH+]c3c2)c2cccs2)CC1 ZINC000177907003 878911600 /nfs/dbraw/zinc/91/16/00/878911600.db2.gz IOMINHNDAKKIPQ-SFHVURJKSA-N 2 2 397.548 3.668 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1Sc1ccccc1 ZINC000460986534 878936603 /nfs/dbraw/zinc/93/66/03/878936603.db2.gz JDJCYVAODFCUOS-UHFFFAOYSA-N 2 2 397.588 3.936 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1Sc1ccccc1 ZINC000460986534 878936613 /nfs/dbraw/zinc/93/66/13/878936613.db2.gz JDJCYVAODFCUOS-UHFFFAOYSA-N 2 2 397.588 3.936 20 0 GHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000122758696 879400387 /nfs/dbraw/zinc/40/03/87/879400387.db2.gz XVBOZJHWELRPSY-INIZCTEOSA-N 2 2 380.496 3.526 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000246339794 879424781 /nfs/dbraw/zinc/42/47/81/879424781.db2.gz UMJAPJDXXPTKIB-SWLSCSKDSA-N 2 2 398.841 3.660 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000246339794 879424785 /nfs/dbraw/zinc/42/47/85/879424785.db2.gz UMJAPJDXXPTKIB-SWLSCSKDSA-N 2 2 398.841 3.660 20 0 GHADLP Cn1c[nH+]cc1CCC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452455239 879470219 /nfs/dbraw/zinc/47/02/19/879470219.db2.gz XFJIZTBDWUNHGD-HSZRJFAPSA-N 2 2 394.563 3.502 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000246459172 879582165 /nfs/dbraw/zinc/58/21/65/879582165.db2.gz FHKKKHLKKNAJEO-OEOAZWSVSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000246459172 879582171 /nfs/dbraw/zinc/58/21/71/879582171.db2.gz FHKKKHLKKNAJEO-OEOAZWSVSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000246459172 879582181 /nfs/dbraw/zinc/58/21/81/879582181.db2.gz FHKKKHLKKNAJEO-OEOAZWSVSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000246459172 879582190 /nfs/dbraw/zinc/58/21/90/879582190.db2.gz FHKKKHLKKNAJEO-OEOAZWSVSA-N 2 2 391.559 3.966 20 0 GHADLP CC[N@H+](Cc1ccc2ccccc2c1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790368571 879672334 /nfs/dbraw/zinc/67/23/34/879672334.db2.gz JUEVRNZEZGOPNZ-HSZRJFAPSA-N 2 2 379.504 3.536 20 0 GHADLP COc1cc(F)c([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1OC ZINC000538556474 879707770 /nfs/dbraw/zinc/70/77/70/879707770.db2.gz CMHKGSPJLONTEQ-GDBMZVCRSA-N 2 2 388.487 3.551 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1Br ZINC000246739113 879784387 /nfs/dbraw/zinc/78/43/87/879784387.db2.gz GQHOZLRUEGVIRZ-MPGHIAIKSA-N 2 2 394.357 3.501 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1Br ZINC000246739113 879784406 /nfs/dbraw/zinc/78/44/06/879784406.db2.gz GQHOZLRUEGVIRZ-MPGHIAIKSA-N 2 2 394.357 3.501 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Br ZINC000246739113 879784422 /nfs/dbraw/zinc/78/44/22/879784422.db2.gz GQHOZLRUEGVIRZ-MPGHIAIKSA-N 2 2 394.357 3.501 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1Br ZINC000246739113 879784436 /nfs/dbraw/zinc/78/44/36/879784436.db2.gz GQHOZLRUEGVIRZ-MPGHIAIKSA-N 2 2 394.357 3.501 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000246952222 879860457 /nfs/dbraw/zinc/86/04/57/879860457.db2.gz IENNBZMIEFOIFS-XMSQKQJNSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000246952222 879860473 /nfs/dbraw/zinc/86/04/73/879860473.db2.gz IENNBZMIEFOIFS-XMSQKQJNSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1nc(C(C)(C)C)cs1 ZINC000184687159 880364231 /nfs/dbraw/zinc/36/42/31/880364231.db2.gz WIKQJUXBWNYOIG-WBVHZDCISA-N 2 2 388.581 3.510 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000531785535 880479414 /nfs/dbraw/zinc/47/94/14/880479414.db2.gz NUZCWZPWTFEVGJ-UHFFFAOYSA-N 3 2 389.547 3.694 20 0 GHADLP Cc1cc2oc(=O)cc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2cc1C ZINC000791619471 880546071 /nfs/dbraw/zinc/54/60/71/880546071.db2.gz CTXDYKOIIHHUSO-SZPZYZBQSA-N 2 2 388.511 3.974 20 0 GHADLP Cc1cc2oc(=O)cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2cc1C ZINC000791619471 880546079 /nfs/dbraw/zinc/54/60/79/880546079.db2.gz CTXDYKOIIHHUSO-SZPZYZBQSA-N 2 2 388.511 3.974 20 0 GHADLP Cc1cc2oc(=O)cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)c2cc1C ZINC000791619471 880546084 /nfs/dbraw/zinc/54/60/84/880546084.db2.gz CTXDYKOIIHHUSO-SZPZYZBQSA-N 2 2 388.511 3.974 20 0 GHADLP Cc1cc2oc(=O)cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)c2cc1C ZINC000791619471 880546090 /nfs/dbraw/zinc/54/60/90/880546090.db2.gz CTXDYKOIIHHUSO-SZPZYZBQSA-N 2 2 388.511 3.974 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000453270876 880712690 /nfs/dbraw/zinc/71/26/90/880712690.db2.gz RUMWFUSXVPHNSC-YWZLYKJASA-N 2 2 377.891 3.753 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000453270876 880712699 /nfs/dbraw/zinc/71/26/99/880712699.db2.gz RUMWFUSXVPHNSC-YWZLYKJASA-N 2 2 377.891 3.753 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Br)ccc3OC(F)F)CC[C@H]21 ZINC000531988581 880842467 /nfs/dbraw/zinc/84/24/67/880842467.db2.gz CZTQRMQVNWBNIO-IUODEOHRSA-N 2 2 389.284 3.967 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Br)ccc3OC(F)F)CC[C@H]21 ZINC000531988581 880842478 /nfs/dbraw/zinc/84/24/78/880842478.db2.gz CZTQRMQVNWBNIO-IUODEOHRSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Br)ccc3OC(F)F)CC[C@H]21 ZINC000531988581 880842490 /nfs/dbraw/zinc/84/24/90/880842490.db2.gz CZTQRMQVNWBNIO-IUODEOHRSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3OC(F)F)CC[C@H]21 ZINC000531988581 880842504 /nfs/dbraw/zinc/84/25/04/880842504.db2.gz CZTQRMQVNWBNIO-IUODEOHRSA-N 2 2 389.284 3.967 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1Cl ZINC000531976735 880856032 /nfs/dbraw/zinc/85/60/32/880856032.db2.gz CLQOBHGVEMCDGH-LDQXTDLNSA-N 2 2 388.939 3.882 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1Cl ZINC000531976735 880856052 /nfs/dbraw/zinc/85/60/52/880856052.db2.gz CLQOBHGVEMCDGH-LDQXTDLNSA-N 2 2 388.939 3.882 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000187025231 881052912 /nfs/dbraw/zinc/05/29/12/881052912.db2.gz DYAKDTFJCSSQHA-WIYYLYMNSA-N 2 2 389.584 3.649 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000187025231 881052927 /nfs/dbraw/zinc/05/29/27/881052927.db2.gz DYAKDTFJCSSQHA-WIYYLYMNSA-N 2 2 389.584 3.649 20 0 GHADLP Clc1cccc(N2CC[NH+](C3CC[NH+](C[C@@H]4CCSC4)CC3)CC2)c1 ZINC000453578876 881083166 /nfs/dbraw/zinc/08/31/66/881083166.db2.gz VMFZVGGLXBFYMR-KRWDZBQOSA-N 2 2 380.001 3.680 20 0 GHADLP c1c[nH]c([C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C2CCCCC2)n1 ZINC000286234844 912642831 /nfs/dbraw/zinc/64/28/31/912642831.db2.gz SYRSSRODYNVPPZ-JOCHJYFZSA-N 2 2 398.551 3.532 20 0 GHADLP C[NH+]1CCC2(CC[N@H+](Cc3cc(Br)c(Br)o3)C2)CC1 ZINC001138877725 912674809 /nfs/dbraw/zinc/67/48/09/912674809.db2.gz HQBAROGNXVYQGC-UHFFFAOYSA-N 2 2 392.135 3.722 20 0 GHADLP C[NH+]1CCC2(CC[N@@H+](Cc3cc(Br)c(Br)o3)C2)CC1 ZINC001138877725 912674815 /nfs/dbraw/zinc/67/48/15/912674815.db2.gz HQBAROGNXVYQGC-UHFFFAOYSA-N 2 2 392.135 3.722 20 0 GHADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)CC2)oc1C ZINC000551049835 883171390 /nfs/dbraw/zinc/17/13/90/883171390.db2.gz BSMLONYMXXMQJA-XZOQPEGZSA-N 3 2 396.579 3.929 20 0 GHADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)CC2)oc1C ZINC000551049835 883171394 /nfs/dbraw/zinc/17/13/94/883171394.db2.gz BSMLONYMXXMQJA-XZOQPEGZSA-N 3 2 396.579 3.929 20 0 GHADLP Nc1[nH+]ccn1Cc1ccccc1NC(=[NH2+])c1ccc(Br)cc1F ZINC001170464150 883275315 /nfs/dbraw/zinc/27/53/15/883275315.db2.gz HFQNAPFSRUGHKC-UHFFFAOYSA-N 2 2 388.244 3.853 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CCOCC1)c1ccccc1 ZINC000194050287 883650278 /nfs/dbraw/zinc/65/02/78/883650278.db2.gz GCFJYSJAMJHQPT-ZHHKINOHSA-N 2 2 384.564 3.824 20 0 GHADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000476301358 884351353 /nfs/dbraw/zinc/35/13/53/884351353.db2.gz AMKLNXGAZNQMTI-YJBOKZPZSA-N 2 2 392.494 3.640 20 0 GHADLP Cc1cccc(C2(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)CCCCC2)c1 ZINC000498424889 884394929 /nfs/dbraw/zinc/39/49/29/884394929.db2.gz UXCBHOHHGSGAGF-UHFFFAOYSA-N 2 2 385.596 3.681 20 0 GHADLP Cc1cccc(C2(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)CCCCC2)c1 ZINC000498424889 884394949 /nfs/dbraw/zinc/39/49/49/884394949.db2.gz UXCBHOHHGSGAGF-UHFFFAOYSA-N 2 2 385.596 3.681 20 0 GHADLP COC(=O)[C@@H]1CC[C@H]([NH2+]CC2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001170512161 884979331 /nfs/dbraw/zinc/97/93/31/884979331.db2.gz HFYKOYUGSKQJFP-YADHBBJMSA-N 2 2 378.516 3.639 20 0 GHADLP c1cn(-c2ccc(C[NH2+]C[C@H]3CSCCN3Cc3ccccc3)cc2)c[nH+]1 ZINC000428560365 885468008 /nfs/dbraw/zinc/46/80/08/885468008.db2.gz RYEBIZIPFZETRO-QFIPXVFZSA-N 2 2 378.545 3.580 20 0 GHADLP C[NH+](C)CC1CCN(c2ccc([NH2+]CC3CCC4(CC3)OCCO4)cc2)CC1 ZINC000795888080 912954541 /nfs/dbraw/zinc/95/45/41/912954541.db2.gz GOPOOYQAAHGJCR-UHFFFAOYSA-N 2 2 387.568 3.810 20 0 GHADLP c1cn(Cc2ccccc2)nc1C[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000556607693 885631565 /nfs/dbraw/zinc/63/15/65/885631565.db2.gz ASPDFMSTHTZDBU-CAOCKLPOSA-N 2 2 386.543 3.932 20 0 GHADLP c1cn(Cc2ccccc2)nc1C[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556607693 885631573 /nfs/dbraw/zinc/63/15/73/885631573.db2.gz ASPDFMSTHTZDBU-CAOCKLPOSA-N 2 2 386.543 3.932 20 0 GHADLP Cc1cc2occ(CC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2cc1C(C)C ZINC000498779024 885683477 /nfs/dbraw/zinc/68/34/77/885683477.db2.gz AVWUKYNRRXIKFJ-UHFFFAOYSA-N 2 2 399.579 3.892 20 0 GHADLP Cc1cc2occ(CC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2cc1C(C)C ZINC000498779024 885683484 /nfs/dbraw/zinc/68/34/84/885683484.db2.gz AVWUKYNRRXIKFJ-UHFFFAOYSA-N 2 2 399.579 3.892 20 0 GHADLP C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccc(F)cc1 ZINC000498837739 885898088 /nfs/dbraw/zinc/89/80/88/885898088.db2.gz MROFWONGAYHNSN-AABGKKOBSA-N 2 2 389.559 3.835 20 0 GHADLP C[C@@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccc(F)cc1 ZINC000498837739 885898096 /nfs/dbraw/zinc/89/80/96/885898096.db2.gz MROFWONGAYHNSN-AABGKKOBSA-N 2 2 389.559 3.835 20 0 GHADLP CC[NH+](CC)CCOc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000117728599 886134546 /nfs/dbraw/zinc/13/45/46/886134546.db2.gz RLMGNMYYLQLJFZ-UHFFFAOYSA-N 2 2 378.476 3.845 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000643492950 886160073 /nfs/dbraw/zinc/16/00/73/886160073.db2.gz AMNBVMKZKDFPPV-RBZQAINGSA-N 3 2 398.595 3.510 20 0 GHADLP C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000762480099 886270694 /nfs/dbraw/zinc/27/06/94/886270694.db2.gz JVUARCRFQCWWOL-WMLDXEAASA-N 2 2 376.526 3.669 20 0 GHADLP O[C@H](C[C@H]1CCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1)c1cccs1 ZINC000795930954 913025536 /nfs/dbraw/zinc/02/55/36/913025536.db2.gz VDMQCKNEXFALCP-FGZHOGPDSA-N 2 2 399.604 3.848 20 0 GHADLP O[C@H](C[C@H]1CCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1)c1cccs1 ZINC000795930954 913025548 /nfs/dbraw/zinc/02/55/48/913025548.db2.gz VDMQCKNEXFALCP-FGZHOGPDSA-N 2 2 399.604 3.848 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c(Br)c1 ZINC000056522504 886308344 /nfs/dbraw/zinc/30/83/44/886308344.db2.gz PZFGOHKWCLWCTM-HNNXBMFYSA-N 2 2 396.373 3.748 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000119115704 886654817 /nfs/dbraw/zinc/65/48/17/886654817.db2.gz KNAKSWQLROLHTF-PGRDOPGGSA-N 2 2 379.504 3.958 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000119115704 886654825 /nfs/dbraw/zinc/65/48/25/886654825.db2.gz KNAKSWQLROLHTF-PGRDOPGGSA-N 2 2 379.504 3.958 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1C ZINC000057611639 886768962 /nfs/dbraw/zinc/76/89/62/886768962.db2.gz YCIUVCSIDWQCQJ-UHFFFAOYSA-N 2 2 398.551 3.889 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1C ZINC000057611639 886768969 /nfs/dbraw/zinc/76/89/69/886768969.db2.gz YCIUVCSIDWQCQJ-UHFFFAOYSA-N 2 2 398.551 3.889 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000762749849 886793487 /nfs/dbraw/zinc/79/34/87/886793487.db2.gz TUWTYSAJDFWCLP-ZGXWSNOMSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000762749849 886793500 /nfs/dbraw/zinc/79/35/00/886793500.db2.gz TUWTYSAJDFWCLP-ZGXWSNOMSA-N 2 2 377.573 3.629 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1c[nH+]c(C)cc1C)c1cccc(OC)c1 ZINC000454213083 886859398 /nfs/dbraw/zinc/85/93/98/886859398.db2.gz FYEXMIBHMMPMFF-NRFANRHFSA-N 2 2 384.524 3.589 20 0 GHADLP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000237681279 886978332 /nfs/dbraw/zinc/97/83/32/886978332.db2.gz AYJCTLBBLHRBKK-OFVILXPXSA-N 2 2 377.576 3.804 20 0 GHADLP COc1ccc2c(c1)[C@H]([N@H+](CCc1c[nH+]cn1C)Cc1ccccc1)CCO2 ZINC000459335959 887459102 /nfs/dbraw/zinc/45/91/02/887459102.db2.gz HCXDVNZVYRSWPX-JOCHJYFZSA-N 2 2 377.488 3.997 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cc2ncc(C3OCCO3)s2)CC1)CC(C)C ZINC000809755173 887795131 /nfs/dbraw/zinc/79/51/31/887795131.db2.gz GXQYPOWEZIABPI-UHFFFAOYSA-N 2 2 381.586 3.769 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cc2ncc(C3OCCO3)s2)CC1)CC(C)C ZINC000809755173 887795140 /nfs/dbraw/zinc/79/51/40/887795140.db2.gz GXQYPOWEZIABPI-UHFFFAOYSA-N 2 2 381.586 3.769 20 0 GHADLP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000134404876 887871900 /nfs/dbraw/zinc/87/19/00/887871900.db2.gz BEHBJSMOGAZLFQ-SCLBCKFNSA-N 2 2 397.332 3.666 20 0 GHADLP CCCCCC[C@@H](CC)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001170599654 888283725 /nfs/dbraw/zinc/28/37/25/888283725.db2.gz PKPMKGRFYZCQMR-VQTJNVASSA-N 2 2 375.605 3.756 20 0 GHADLP CCCCCC[C@@H](CC)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001170599654 888283739 /nfs/dbraw/zinc/28/37/39/888283739.db2.gz PKPMKGRFYZCQMR-VQTJNVASSA-N 2 2 375.605 3.756 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Br)nc1 ZINC000810206592 888316723 /nfs/dbraw/zinc/31/67/23/888316723.db2.gz APGGSPSCGFQQHY-HNNXBMFYSA-N 2 2 390.325 3.527 20 0 GHADLP Cc1cc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc(N2CCCC2)n1 ZINC000810251280 888353635 /nfs/dbraw/zinc/35/36/35/888353635.db2.gz QAUINHMNTITLDQ-UHFFFAOYSA-N 2 2 393.579 3.815 20 0 GHADLP C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000121053782 888869152 /nfs/dbraw/zinc/86/91/52/888869152.db2.gz QRPCVTVIJCYBNT-UZUQRXQVSA-N 2 2 385.527 3.962 20 0 GHADLP c1csc([C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c2nnc[nH]2)c1 ZINC000866470093 888895919 /nfs/dbraw/zinc/89/59/19/888895919.db2.gz PBPAELMRYRETMF-FQEVSTJZSA-N 2 2 381.549 3.848 20 0 GHADLP CC(C)C[C@H](C[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)[NH+](C)C ZINC000532764077 888907554 /nfs/dbraw/zinc/90/75/54/888907554.db2.gz ZQBSHOSUGSLQEX-GUDVDZBRSA-N 2 2 385.552 3.550 20 0 GHADLP CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1 ZINC000532783900 888939096 /nfs/dbraw/zinc/93/90/96/888939096.db2.gz DEHXOMPQXNKHGH-XMMPIXPASA-N 2 2 392.547 3.504 20 0 GHADLP CN(C(=O)CCc1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124528773 889663017 /nfs/dbraw/zinc/66/30/17/889663017.db2.gz SZVSDTJAMXSZEW-YADHBBJMSA-N 2 2 389.559 3.554 20 0 GHADLP CN(C(=O)CCc1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124528773 889663023 /nfs/dbraw/zinc/66/30/23/889663023.db2.gz SZVSDTJAMXSZEW-YADHBBJMSA-N 2 2 389.559 3.554 20 0 GHADLP CCc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)oc1CC ZINC000124673829 889721198 /nfs/dbraw/zinc/72/11/98/889721198.db2.gz JHBGGLJUTZVDGZ-VQTJNVASSA-N 2 2 389.584 3.814 20 0 GHADLP CCc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)oc1CC ZINC000124673829 889721206 /nfs/dbraw/zinc/72/12/06/889721206.db2.gz JHBGGLJUTZVDGZ-VQTJNVASSA-N 2 2 389.584 3.814 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000124855061 889792466 /nfs/dbraw/zinc/79/24/66/889792466.db2.gz PYIBYLGPJVAXKQ-RTWAWAEBSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000124855061 889792476 /nfs/dbraw/zinc/79/24/76/889792476.db2.gz PYIBYLGPJVAXKQ-RTWAWAEBSA-N 2 2 375.532 3.543 20 0 GHADLP C[C@H]1C[C@H](CCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000533119600 889817864 /nfs/dbraw/zinc/81/78/64/889817864.db2.gz BFODLIAZFHXRCQ-ICSRJNTNSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@H]1C[C@H](CCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000533119600 889817881 /nfs/dbraw/zinc/81/78/81/889817881.db2.gz BFODLIAZFHXRCQ-ICSRJNTNSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@H]1C[C@H](CCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000533119600 889817899 /nfs/dbraw/zinc/81/78/99/889817899.db2.gz BFODLIAZFHXRCQ-ICSRJNTNSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@H]1C[C@H](CCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000533119600 889817917 /nfs/dbraw/zinc/81/79/17/889817917.db2.gz BFODLIAZFHXRCQ-ICSRJNTNSA-N 2 2 395.551 3.599 20 0 GHADLP CCc1nc2cc(C[NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)ccc2n1C1CC1 ZINC000644641498 913421233 /nfs/dbraw/zinc/42/12/33/913421233.db2.gz XOTOSWRPIUNSKB-OAQYLSRUSA-N 2 2 392.547 3.516 20 0 GHADLP CCc1nc2cc(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)ccc2n1C1CC1 ZINC000644641498 913421245 /nfs/dbraw/zinc/42/12/45/913421245.db2.gz XOTOSWRPIUNSKB-OAQYLSRUSA-N 2 2 392.547 3.516 20 0 GHADLP CC[NH+](CC)Cc1ccccc1Nc1cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c(C)n1 ZINC001211989089 890364038 /nfs/dbraw/zinc/36/40/38/890364038.db2.gz ITDDLRFETGJRST-CALCHBBNSA-N 2 2 383.540 3.984 20 0 GHADLP CC[NH+](CC)Cc1ccccc1Nc1cc(N2C[C@@H](C)O[C@@H](C)C2)nc(C)[nH+]1 ZINC001211989089 890364055 /nfs/dbraw/zinc/36/40/55/890364055.db2.gz ITDDLRFETGJRST-CALCHBBNSA-N 2 2 383.540 3.984 20 0 GHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000533525495 890756381 /nfs/dbraw/zinc/75/63/81/890756381.db2.gz DSUACAKOWFNWIG-GHTZIAJQSA-N 2 2 390.487 3.978 20 0 GHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000533525495 890756394 /nfs/dbraw/zinc/75/63/94/890756394.db2.gz DSUACAKOWFNWIG-GHTZIAJQSA-N 2 2 390.487 3.978 20 0 GHADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000533563415 890852403 /nfs/dbraw/zinc/85/24/03/890852403.db2.gz XZEFNBYMJARNEQ-LJQANCHMSA-N 2 2 382.426 3.900 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC000812841352 891030171 /nfs/dbraw/zinc/03/01/71/891030171.db2.gz WJRVTXAJLKXYOU-HNNXBMFYSA-N 2 2 384.923 3.982 20 0 GHADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC000812841352 891030178 /nfs/dbraw/zinc/03/01/78/891030178.db2.gz WJRVTXAJLKXYOU-HNNXBMFYSA-N 2 2 384.923 3.982 20 0 GHADLP CN(C(=O)NCCC1CCCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533664110 891073240 /nfs/dbraw/zinc/07/32/40/891073240.db2.gz INKMLKQNGNGAHU-LEWJYISDSA-N 2 2 378.605 3.545 20 0 GHADLP CN(C(=O)NCCC1CCCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533664110 891073245 /nfs/dbraw/zinc/07/32/45/891073245.db2.gz INKMLKQNGNGAHU-LEWJYISDSA-N 2 2 378.605 3.545 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247034248 891336095 /nfs/dbraw/zinc/33/60/95/891336095.db2.gz YMZAPESHLQVQTB-MSYCTHLASA-N 2 2 396.579 3.563 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247034248 891336104 /nfs/dbraw/zinc/33/61/04/891336104.db2.gz YMZAPESHLQVQTB-MSYCTHLASA-N 2 2 396.579 3.563 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247034248 891336120 /nfs/dbraw/zinc/33/61/20/891336120.db2.gz YMZAPESHLQVQTB-MSYCTHLASA-N 2 2 396.579 3.563 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247034248 891336136 /nfs/dbraw/zinc/33/61/36/891336136.db2.gz YMZAPESHLQVQTB-MSYCTHLASA-N 2 2 396.579 3.563 20 0 GHADLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1n1cc[nH+]c1 ZINC000247358753 891372245 /nfs/dbraw/zinc/37/22/45/891372245.db2.gz HGHRUUNYWKYACJ-NPDDRXJXSA-N 2 2 395.551 3.529 20 0 GHADLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1n1cc[nH+]c1 ZINC000247358753 891372256 /nfs/dbraw/zinc/37/22/56/891372256.db2.gz HGHRUUNYWKYACJ-NPDDRXJXSA-N 2 2 395.551 3.529 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000248054550 891407701 /nfs/dbraw/zinc/40/77/01/891407701.db2.gz XAYFUOJAYUJDEC-FCEUIQTBSA-N 2 2 382.552 3.702 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000248054550 891407704 /nfs/dbraw/zinc/40/77/04/891407704.db2.gz XAYFUOJAYUJDEC-FCEUIQTBSA-N 2 2 382.552 3.702 20 0 GHADLP COc1cccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)C2)c1 ZINC000248164938 891414347 /nfs/dbraw/zinc/41/43/47/891414347.db2.gz SUSVWKZLUHJPTN-IZIIKQMZSA-N 2 2 394.563 3.559 20 0 GHADLP COc1cccc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)C2)c1 ZINC000248164938 891414356 /nfs/dbraw/zinc/41/43/56/891414356.db2.gz SUSVWKZLUHJPTN-IZIIKQMZSA-N 2 2 394.563 3.559 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000116561410 891595895 /nfs/dbraw/zinc/59/58/95/891595895.db2.gz SSRNIHAYZNOIQD-IBGZPJMESA-N 2 2 395.551 3.799 20 0 GHADLP COc1cc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000237389771 891627184 /nfs/dbraw/zinc/62/71/84/891627184.db2.gz MJIBOAMYVBHOHX-KDURUIRLSA-N 2 2 398.547 3.960 20 0 GHADLP COc1cc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000237389771 891627191 /nfs/dbraw/zinc/62/71/91/891627191.db2.gz MJIBOAMYVBHOHX-KDURUIRLSA-N 2 2 398.547 3.960 20 0 GHADLP CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000269066203 892691275 /nfs/dbraw/zinc/69/12/75/892691275.db2.gz LLVBVVAWYSGGCN-SWYRRKHMSA-N 2 2 380.573 3.502 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000154586421 892859581 /nfs/dbraw/zinc/85/95/81/892859581.db2.gz OZBBSGFMDZENCI-UHFFFAOYSA-N 2 2 395.551 3.670 20 0 GHADLP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000778188435 893177175 /nfs/dbraw/zinc/17/71/75/893177175.db2.gz HCESRDOUDUYRRS-INIZCTEOSA-N 2 2 390.318 3.848 20 0 GHADLP Cc1ccc2cc[nH+]c(N3CCC(OCC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000645205653 913753478 /nfs/dbraw/zinc/75/34/78/913753478.db2.gz KKRDPVPQYGKHAL-KDURUIRLSA-N 2 2 383.536 3.638 20 0 GHADLP Cc1ccc2cc[nH+]c(N3CCC(OCC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000645205653 913753495 /nfs/dbraw/zinc/75/34/95/913753495.db2.gz KKRDPVPQYGKHAL-KDURUIRLSA-N 2 2 383.536 3.638 20 0 GHADLP C[NH+](C)CCOc1ccc(C[NH2+]Cc2nc(Cl)ccc2Br)cc1 ZINC000876942416 893396972 /nfs/dbraw/zinc/39/69/72/893396972.db2.gz UPTOPYJUQRANMK-UHFFFAOYSA-N 2 2 398.732 3.728 20 0 GHADLP C[C@](O)(C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(Br)cc1Cl ZINC000815060816 893400175 /nfs/dbraw/zinc/40/01/75/893400175.db2.gz UIDJBSJEZWIEHD-KRWDZBQOSA-N 2 2 398.732 3.844 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)cc2)C1 ZINC000536655443 893430537 /nfs/dbraw/zinc/43/05/37/893430537.db2.gz WCYNYQHWVFZVDK-QGZVFWFLSA-N 2 2 375.476 3.752 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)cc2)C1 ZINC000536655443 893430545 /nfs/dbraw/zinc/43/05/45/893430545.db2.gz WCYNYQHWVFZVDK-QGZVFWFLSA-N 2 2 375.476 3.752 20 0 GHADLP CCOc1cc(C[NH2+]CCCCNc2cccc[nH+]2)cc(Br)c1O ZINC000459406837 893440273 /nfs/dbraw/zinc/44/02/73/893440273.db2.gz OQHJDDVQAAVXEH-UHFFFAOYSA-N 2 2 394.313 3.930 20 0 GHADLP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000129787461 893971704 /nfs/dbraw/zinc/97/17/04/893971704.db2.gz MIWOXQGDUMGNHL-PMACEKPBSA-N 2 2 389.902 3.716 20 0 GHADLP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000129787461 893971707 /nfs/dbraw/zinc/97/17/07/893971707.db2.gz MIWOXQGDUMGNHL-PMACEKPBSA-N 2 2 389.902 3.716 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccccc1SC(C)(C)C ZINC000815580693 894020116 /nfs/dbraw/zinc/02/01/16/894020116.db2.gz PCUGYVYOEAUFCZ-RTBURBONSA-N 2 2 391.625 3.634 20 0 GHADLP CN(C(=O)C[C@H]1CCCC1(F)F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000935078862 894172167 /nfs/dbraw/zinc/17/21/67/894172167.db2.gz NTKOINDUYRMDPM-BHIYHBOVSA-N 2 2 385.543 3.608 20 0 GHADLP CN(C(=O)C[C@H]1CCCC1(F)F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000935078862 894172171 /nfs/dbraw/zinc/17/21/71/894172171.db2.gz NTKOINDUYRMDPM-BHIYHBOVSA-N 2 2 385.543 3.608 20 0 GHADLP COc1ccc(C(=O)Nc2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c2)cc1 ZINC000022820518 894472251 /nfs/dbraw/zinc/47/22/51/894472251.db2.gz JSNOVFFJTVYJDJ-UHFFFAOYSA-N 2 2 379.504 3.664 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000816451479 894844896 /nfs/dbraw/zinc/84/48/96/894844896.db2.gz MLLJNLHBXXRGBS-PGRDOPGGSA-N 2 2 375.472 3.940 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000816451479 894844908 /nfs/dbraw/zinc/84/49/08/894844908.db2.gz MLLJNLHBXXRGBS-PGRDOPGGSA-N 2 2 375.472 3.940 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001135659324 895007450 /nfs/dbraw/zinc/00/74/50/895007450.db2.gz LEXPAXADHJJPOW-JOCHJYFZSA-N 2 2 391.559 3.793 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001135659324 895007468 /nfs/dbraw/zinc/00/74/68/895007468.db2.gz LEXPAXADHJJPOW-JOCHJYFZSA-N 2 2 391.559 3.793 20 0 GHADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cscc2C(F)(F)F)c2ccccc2)CC1 ZINC000564529131 895056506 /nfs/dbraw/zinc/05/65/06/895056506.db2.gz MVEMGKLZQLBNGR-GOSISDBHSA-N 2 2 383.483 3.845 20 0 GHADLP c1cc(C[NH+]2CCOCC2)cc(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)c1 ZINC000879553393 895132579 /nfs/dbraw/zinc/13/25/79/895132579.db2.gz KHOGGIAQHGBPOO-UHFFFAOYSA-N 2 2 396.535 3.549 20 0 GHADLP Cc1csc(C[NH+]2CC[C@@H]3C[N@H+](Cc4csc(C)n4)CCO[C@@H]3C2)c1 ZINC001137155969 895735610 /nfs/dbraw/zinc/73/56/10/895735610.db2.gz OOHAIDWRRPIWCC-VQIMIIECSA-N 2 2 377.579 3.544 20 0 GHADLP Cc1csc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4csc(C)n4)CCO[C@@H]3C2)c1 ZINC001137155969 895735622 /nfs/dbraw/zinc/73/56/22/895735622.db2.gz OOHAIDWRRPIWCC-VQIMIIECSA-N 2 2 377.579 3.544 20 0 GHADLP Cc1csc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)c1 ZINC001137155969 895735634 /nfs/dbraw/zinc/73/56/34/895735634.db2.gz OOHAIDWRRPIWCC-VQIMIIECSA-N 2 2 377.579 3.544 20 0 GHADLP Cc1csc(C[N@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)c1 ZINC001137155969 895735641 /nfs/dbraw/zinc/73/56/41/895735641.db2.gz OOHAIDWRRPIWCC-VQIMIIECSA-N 2 2 377.579 3.544 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=S)Nc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000817565898 895737539 /nfs/dbraw/zinc/73/75/39/895737539.db2.gz HWJBVTBSJVMDJX-UHFFFAOYSA-N 2 2 398.979 3.668 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=S)Nc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000817565898 895737547 /nfs/dbraw/zinc/73/75/47/895737547.db2.gz HWJBVTBSJVMDJX-UHFFFAOYSA-N 2 2 398.979 3.668 20 0 GHADLP CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)s1 ZINC000565627338 895769148 /nfs/dbraw/zinc/76/91/48/895769148.db2.gz QZZHLGANRMIZCE-LSDHHAIUSA-N 2 2 392.956 3.575 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C(C)=C\c3ccccc3Cl)CC2)CC1 ZINC000817657163 895792379 /nfs/dbraw/zinc/79/23/79/895792379.db2.gz WFBFRTGWUUDBNV-ZCXUNETKSA-N 2 2 389.971 3.762 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C(C)=C\c3ccccc3Cl)CC2)CC1 ZINC000817657163 895792398 /nfs/dbraw/zinc/79/23/98/895792398.db2.gz WFBFRTGWUUDBNV-ZCXUNETKSA-N 2 2 389.971 3.762 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C(\C)c3ccccc3Cl)CC2)CC1 ZINC000817659643 895796341 /nfs/dbraw/zinc/79/63/41/895796341.db2.gz WTMNMJDPTNDDRC-ISLYRVAYSA-N 2 2 389.971 3.762 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C(\C)c3ccccc3Cl)CC2)CC1 ZINC000817659643 895796362 /nfs/dbraw/zinc/79/63/62/895796362.db2.gz WTMNMJDPTNDDRC-ISLYRVAYSA-N 2 2 389.971 3.762 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCCC1)c1ccccc1 ZINC000565793580 895883903 /nfs/dbraw/zinc/88/39/03/895883903.db2.gz IUQTVENMEBUXMB-SFHVURJKSA-N 2 2 395.551 3.962 20 0 GHADLP COc1ccc([C@H]([NH2+]CCc2c[nH]c3cccc(OC)c23)[C@H]2CCC[NH2+]2)cc1 ZINC000817920134 895962667 /nfs/dbraw/zinc/96/26/67/895962667.db2.gz BPWFJGKPMNCHDU-OFNKIYASSA-N 2 2 379.504 3.811 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000880893204 895974141 /nfs/dbraw/zinc/97/41/41/895974141.db2.gz HFPCBLCQMXFMIW-UHFFFAOYSA-N 2 2 391.318 3.622 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000880893204 895974153 /nfs/dbraw/zinc/97/41/53/895974153.db2.gz HFPCBLCQMXFMIW-UHFFFAOYSA-N 2 2 391.318 3.622 20 0 GHADLP C[C@H](CC[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000566038286 896064893 /nfs/dbraw/zinc/06/48/93/896064893.db2.gz MTMGODBXGSYBEC-FXTUREPZSA-N 2 2 388.596 3.832 20 0 GHADLP C[C@H](CC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000566038286 896064901 /nfs/dbraw/zinc/06/49/01/896064901.db2.gz MTMGODBXGSYBEC-FXTUREPZSA-N 2 2 388.596 3.832 20 0 GHADLP C[C@H](CC[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000566038286 896064912 /nfs/dbraw/zinc/06/49/12/896064912.db2.gz MTMGODBXGSYBEC-FXTUREPZSA-N 2 2 388.596 3.832 20 0 GHADLP C[C@H](CC[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000566038286 896064924 /nfs/dbraw/zinc/06/49/24/896064924.db2.gz MTMGODBXGSYBEC-FXTUREPZSA-N 2 2 388.596 3.832 20 0 GHADLP COC(OC)c1ccc(F)c(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000818193044 896072586 /nfs/dbraw/zinc/07/25/86/896072586.db2.gz URCIQQIPELYASZ-FQEVSTJZSA-N 2 2 383.467 3.924 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1Cl ZINC000566417077 896297141 /nfs/dbraw/zinc/29/71/41/896297141.db2.gz RQXVVRNODFFIMC-MELADBBJSA-N 2 2 395.334 3.782 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1Cl ZINC000566417077 896297150 /nfs/dbraw/zinc/29/71/50/896297150.db2.gz RQXVVRNODFFIMC-MELADBBJSA-N 2 2 395.334 3.782 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000818981877 896299535 /nfs/dbraw/zinc/29/95/35/896299535.db2.gz ZUGQYPUPHINNIC-LJQANCHMSA-N 2 2 375.394 3.584 20 0 GHADLP C[C@H]([NH2+]C(C)(C)C[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)c1ccccc1 ZINC000819014650 896347799 /nfs/dbraw/zinc/34/77/99/896347799.db2.gz SJGSSOTZGFKMNP-SFHVURJKSA-N 2 2 382.552 3.800 20 0 GHADLP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)COc1ccc(-c3ccccc3)cc1)CC2 ZINC000566702178 896506414 /nfs/dbraw/zinc/50/64/14/896506414.db2.gz YBXJJLIMEQIJDW-JOCHJYFZSA-N 2 2 380.532 3.654 20 0 GHADLP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)COc1ccc(-c3ccccc3)cc1)CC2 ZINC000566702178 896506420 /nfs/dbraw/zinc/50/64/20/896506420.db2.gz YBXJJLIMEQIJDW-JOCHJYFZSA-N 2 2 380.532 3.654 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129364318 896603072 /nfs/dbraw/zinc/60/30/72/896603072.db2.gz ONCZNPUYGYYPTM-BBRMVZONSA-N 2 2 380.464 3.719 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129364318 896603077 /nfs/dbraw/zinc/60/30/77/896603077.db2.gz ONCZNPUYGYYPTM-BBRMVZONSA-N 2 2 380.464 3.719 20 0 GHADLP O[C@H](C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000567691083 897340120 /nfs/dbraw/zinc/34/01/20/897340120.db2.gz OVYDJUCFFHTUSP-IBGZPJMESA-N 2 2 375.394 3.584 20 0 GHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000883386317 897548661 /nfs/dbraw/zinc/54/86/61/897548661.db2.gz DGUHEJZWVSZOBY-BEFAXECRSA-N 2 2 387.480 3.518 20 0 GHADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386631 897550911 /nfs/dbraw/zinc/55/09/11/897550911.db2.gz KDIGYUZJSGHBRG-FXAWDEMLSA-N 2 2 378.476 3.640 20 0 GHADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000568101327 897593892 /nfs/dbraw/zinc/59/38/92/897593892.db2.gz QHFQFYSAXOTTTC-UHFFFAOYSA-N 2 2 398.378 3.773 20 0 GHADLP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)C2=O)cc1 ZINC000568304398 897725517 /nfs/dbraw/zinc/72/55/17/897725517.db2.gz MXWNHRWEBHZPNA-VJBWXMMDSA-N 2 2 377.532 3.521 20 0 GHADLP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)C2=O)cc1 ZINC000568304398 897725525 /nfs/dbraw/zinc/72/55/25/897725525.db2.gz MXWNHRWEBHZPNA-VJBWXMMDSA-N 2 2 377.532 3.521 20 0 GHADLP Cc1cccc2ncc(C[NH+]3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)n21 ZINC001137196477 897898738 /nfs/dbraw/zinc/89/87/38/897898738.db2.gz HVTKIYDVOAQWEA-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2ncc(C[NH+]3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)n21 ZINC001137196477 897898744 /nfs/dbraw/zinc/89/87/44/897898744.db2.gz HVTKIYDVOAQWEA-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2ncc(C[N@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@H]4C3)n21 ZINC001137196477 897898749 /nfs/dbraw/zinc/89/87/49/897898749.db2.gz HVTKIYDVOAQWEA-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2ncc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@H]4C3)n21 ZINC001137196477 897898755 /nfs/dbraw/zinc/89/87/55/897898755.db2.gz HVTKIYDVOAQWEA-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000568809140 898120103 /nfs/dbraw/zinc/12/01/03/898120103.db2.gz RKMXTGOAYFMPAL-IFMALSPDSA-N 2 2 394.563 3.587 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000568809140 898120115 /nfs/dbraw/zinc/12/01/15/898120115.db2.gz RKMXTGOAYFMPAL-IFMALSPDSA-N 2 2 394.563 3.587 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)Cc1ccc(C(F)(F)F)cc1 ZINC000568975432 898252391 /nfs/dbraw/zinc/25/23/91/898252391.db2.gz GNYCNPXEAXSGCN-HXUWFJFHSA-N 2 2 389.421 3.643 20 0 GHADLP COc1ccc(CCC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1OC ZINC000155207676 898420149 /nfs/dbraw/zinc/42/01/49/898420149.db2.gz VCLQHBQHLUAIOF-UHFFFAOYSA-N 2 2 397.563 3.961 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cc(Cl)cc2ccccc21 ZINC001136650146 898757629 /nfs/dbraw/zinc/75/76/29/898757629.db2.gz QPFXTUDBKCLSPJ-UHFFFAOYSA-N 2 2 387.955 3.520 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cc(Cl)cc2ccccc21 ZINC001136650146 898757646 /nfs/dbraw/zinc/75/76/46/898757646.db2.gz QPFXTUDBKCLSPJ-UHFFFAOYSA-N 2 2 387.955 3.520 20 0 GHADLP Cc1c(Br)cc(C[NH2+]CCCn2cc[nH+]c2)cc1Br ZINC000569597733 898817354 /nfs/dbraw/zinc/81/73/54/898817354.db2.gz ZVHXUYQTUZZQTB-UHFFFAOYSA-N 2 2 387.119 3.896 20 0 GHADLP O=C(OCc1ccccc1)c1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c[nH]1 ZINC000823653709 899164970 /nfs/dbraw/zinc/16/49/70/899164970.db2.gz BBGAUZPKLAZTAB-UHFFFAOYSA-N 2 2 390.487 3.525 20 0 GHADLP CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000570569147 899397306 /nfs/dbraw/zinc/39/73/06/899397306.db2.gz FKHLPZFRTWKNIE-JOCHJYFZSA-N 2 2 377.532 3.723 20 0 GHADLP CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000570569147 899397319 /nfs/dbraw/zinc/39/73/19/899397319.db2.gz FKHLPZFRTWKNIE-JOCHJYFZSA-N 2 2 377.532 3.723 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCCCCc3ccc(F)cc3)c2)CC1 ZINC001171050642 899495667 /nfs/dbraw/zinc/49/56/67/899495667.db2.gz GYJKYCZHXURROP-UHFFFAOYSA-N 2 2 384.499 3.714 20 0 GHADLP C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282909295 899607648 /nfs/dbraw/zinc/60/76/48/899607648.db2.gz RUYCIVJAVUDXPF-GOSISDBHSA-N 2 2 381.524 3.693 20 0 GHADLP C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000824642491 899733225 /nfs/dbraw/zinc/73/32/25/899733225.db2.gz CKOFBCJXJCONNG-DLBZAZTESA-N 2 2 390.572 3.613 20 0 GHADLP Clc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001136927009 899781718 /nfs/dbraw/zinc/78/17/18/899781718.db2.gz RKCMXEZHWXTFJM-UHFFFAOYSA-N 2 2 377.941 3.664 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4[nH]cnc4c3)C[C@@H]21 ZINC001137045621 900204844 /nfs/dbraw/zinc/20/48/44/900204844.db2.gz PKKCGIABJZDEMT-GREBRCKQSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4[nH]cnc4c3)C[C@@H]21 ZINC001137045621 900204849 /nfs/dbraw/zinc/20/48/49/900204849.db2.gz PKKCGIABJZDEMT-GREBRCKQSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4[nH]cnc4c3)C[C@@H]21 ZINC001137045621 900204858 /nfs/dbraw/zinc/20/48/58/900204858.db2.gz PKKCGIABJZDEMT-GREBRCKQSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4[nH]cnc4c3)C[C@@H]21 ZINC001137045621 900204867 /nfs/dbraw/zinc/20/48/67/900204867.db2.gz PKKCGIABJZDEMT-GREBRCKQSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4nc[nH]c4c3)C[C@@H]21 ZINC001137045621 900204873 /nfs/dbraw/zinc/20/48/73/900204873.db2.gz PKKCGIABJZDEMT-GREBRCKQSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4nc[nH]c4c3)C[C@@H]21 ZINC001137045621 900204885 /nfs/dbraw/zinc/20/48/85/900204885.db2.gz PKKCGIABJZDEMT-GREBRCKQSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4nc[nH]c4c3)C[C@@H]21 ZINC001137045621 900204892 /nfs/dbraw/zinc/20/48/92/900204892.db2.gz PKKCGIABJZDEMT-GREBRCKQSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4nc[nH]c4c3)C[C@@H]21 ZINC001137045621 900204897 /nfs/dbraw/zinc/20/48/97/900204897.db2.gz PKKCGIABJZDEMT-GREBRCKQSA-N 2 2 375.520 3.690 20 0 GHADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(OC(F)(F)F)c1 ZINC001143358348 900220976 /nfs/dbraw/zinc/22/09/76/900220976.db2.gz YQMYNLUPFKPIHE-UHFFFAOYSA-N 2 2 396.837 3.555 20 0 GHADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(OC(F)(F)F)c1 ZINC001143358348 900220984 /nfs/dbraw/zinc/22/09/84/900220984.db2.gz YQMYNLUPFKPIHE-UHFFFAOYSA-N 2 2 396.837 3.555 20 0 GHADLP [NH3+][C@H]1CCc2c3ccccc3n(-c3c[nH+]c4c(Br)cccn34)c2C1 ZINC001171092834 900228713 /nfs/dbraw/zinc/22/87/13/900228713.db2.gz IAKGCHZGPXXBPX-LBPRGKRZSA-N 2 2 381.277 3.857 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000844221010 900587506 /nfs/dbraw/zinc/58/75/06/900587506.db2.gz HECUNZWGAAVIGF-CZAFVFSZSA-N 2 2 390.531 3.664 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000844221010 900587521 /nfs/dbraw/zinc/58/75/21/900587521.db2.gz HECUNZWGAAVIGF-CZAFVFSZSA-N 2 2 390.531 3.664 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccc(OC)c(OC)c3)s2)CC1 ZINC001144064851 901009993 /nfs/dbraw/zinc/00/99/93/901009993.db2.gz VMTBHILSHOTRKN-UHFFFAOYSA-N 2 2 375.538 3.743 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccc(OC)c(OC)c3)s2)CC1 ZINC001144064851 901009997 /nfs/dbraw/zinc/00/99/97/901009997.db2.gz VMTBHILSHOTRKN-UHFFFAOYSA-N 2 2 375.538 3.743 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000575236745 901172683 /nfs/dbraw/zinc/17/26/83/901172683.db2.gz XJXMSFVEGKVBDR-AWEZNQCLSA-N 2 2 379.932 3.591 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886938741 901340340 /nfs/dbraw/zinc/34/03/40/901340340.db2.gz XPQAYPDTNNDQEQ-QHCPKHFHSA-N 2 2 391.519 3.599 20 0 GHADLP c1ccc([C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C2CC2)cc1 ZINC000826520828 901383900 /nfs/dbraw/zinc/38/39/00/901383900.db2.gz SIGOWRPWQITOFD-QFIPXVFZSA-N 2 2 388.519 3.572 20 0 GHADLP COc1ccc2oc(C[N@H+](C)C3CC[NH+](CCc4ccccn4)CC3)cc2c1 ZINC000092645383 901502576 /nfs/dbraw/zinc/50/25/76/901502576.db2.gz YYLSTYQMYAYVNR-UHFFFAOYSA-N 2 2 379.504 3.975 20 0 GHADLP COc1ccc2oc(C[N@@H+](C)C3CC[NH+](CCc4ccccn4)CC3)cc2c1 ZINC000092645383 901502586 /nfs/dbraw/zinc/50/25/86/901502586.db2.gz YYLSTYQMYAYVNR-UHFFFAOYSA-N 2 2 379.504 3.975 20 0 GHADLP c1cn(C2CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC2)c[nH+]1 ZINC000092648635 901503133 /nfs/dbraw/zinc/50/31/33/901503133.db2.gz XPGALJMKGOMQGE-UHFFFAOYSA-N 2 2 384.487 3.968 20 0 GHADLP CSc1nc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)cc(N2CCCC2)[nH+]1 ZINC001171165031 901848046 /nfs/dbraw/zinc/84/80/46/901848046.db2.gz MLBYLUYZPJPHOT-HNNXBMFYSA-N 2 2 381.549 3.941 20 0 GHADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000576725426 902218662 /nfs/dbraw/zinc/21/86/62/902218662.db2.gz FVMKJOWIVAUCHE-OAQYLSRUSA-N 2 2 376.504 3.522 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000778977763 902431373 /nfs/dbraw/zinc/43/13/73/902431373.db2.gz QCBDEKANCWTPTM-FPOVZHCZSA-N 2 2 390.478 3.590 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000778977763 902431380 /nfs/dbraw/zinc/43/13/80/902431380.db2.gz QCBDEKANCWTPTM-FPOVZHCZSA-N 2 2 390.478 3.590 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cccc4cc[nH]c43)CC2)C1 ZINC001144721249 902746560 /nfs/dbraw/zinc/74/65/60/902746560.db2.gz CVFOHIBOSPAZCM-LJQANCHMSA-N 2 2 398.551 3.731 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](Cc3cccc4cc[nH]c43)CC2)C1 ZINC001144721249 902746566 /nfs/dbraw/zinc/74/65/66/902746566.db2.gz CVFOHIBOSPAZCM-LJQANCHMSA-N 2 2 398.551 3.731 20 0 GHADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccncc2OCCC[NH+](C)C)CC1 ZINC000577676387 903036093 /nfs/dbraw/zinc/03/60/93/903036093.db2.gz BYTORNPSPYPGDB-DENIHFKCSA-N 3 2 388.600 3.545 20 0 GHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000264538072 903181852 /nfs/dbraw/zinc/18/18/52/903181852.db2.gz KLWRHSDPBNVNNY-SFHVURJKSA-N 2 2 376.504 3.791 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000265086239 903621327 /nfs/dbraw/zinc/62/13/27/903621327.db2.gz ZYYBLPHCLXZJEV-TZIWHRDSSA-N 2 2 380.536 3.658 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000265086239 903621336 /nfs/dbraw/zinc/62/13/36/903621336.db2.gz ZYYBLPHCLXZJEV-TZIWHRDSSA-N 2 2 380.536 3.658 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000578217120 903624682 /nfs/dbraw/zinc/62/46/82/903624682.db2.gz IVUSLDPJCUBERA-CZJMCEMMSA-N 2 2 395.551 3.508 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000578217120 903624690 /nfs/dbraw/zinc/62/46/90/903624690.db2.gz IVUSLDPJCUBERA-CZJMCEMMSA-N 2 2 395.551 3.508 20 0 GHADLP C[NH+](C)CCCOc1cccc(NC(=O)c2c[nH+]ccc2Nc2ccccc2)c1 ZINC001146926251 903640794 /nfs/dbraw/zinc/64/07/94/903640794.db2.gz KHGLOMWINKMIII-UHFFFAOYSA-N 2 2 390.487 3.830 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000779063152 903756454 /nfs/dbraw/zinc/75/64/54/903756454.db2.gz WTZZHXKJWNMIOZ-MJGOQNOKSA-N 2 2 397.604 3.549 20 0 GHADLP Cn1c(CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)nc2c1cccc2F ZINC000772985558 903881321 /nfs/dbraw/zinc/88/13/21/903881321.db2.gz SPJTZLWCFYEIAX-UHFFFAOYSA-N 2 2 395.526 3.580 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)NC3CCC(C)CC3)C2)s1 ZINC000579040131 904307337 /nfs/dbraw/zinc/30/73/37/904307337.db2.gz IWSOBDKCCULNHJ-BUGOSIMFSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)NC3CCC(C)CC3)C2)s1 ZINC000579040131 904307352 /nfs/dbraw/zinc/30/73/52/904307352.db2.gz IWSOBDKCCULNHJ-BUGOSIMFSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NC3CCC(C)CC3)C2)s1 ZINC000579040131 904307366 /nfs/dbraw/zinc/30/73/66/904307366.db2.gz IWSOBDKCCULNHJ-BUGOSIMFSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NC3CCC(C)CC3)C2)s1 ZINC000579040131 904307375 /nfs/dbraw/zinc/30/73/75/904307375.db2.gz IWSOBDKCCULNHJ-BUGOSIMFSA-N 2 2 391.625 3.894 20 0 GHADLP Fc1cccc2c1CC[C@H]([NH+]1CCC3(CC1)C[N@H+](Cc1ccoc1)CCO3)C2 ZINC001171424462 904567855 /nfs/dbraw/zinc/56/78/55/904567855.db2.gz HYNFZYXGRLCXMV-FQEVSTJZSA-N 2 2 384.495 3.643 20 0 GHADLP Fc1cccc2c1CC[C@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccoc1)CCO3)C2 ZINC001171424462 904567870 /nfs/dbraw/zinc/56/78/70/904567870.db2.gz HYNFZYXGRLCXMV-FQEVSTJZSA-N 2 2 384.495 3.643 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)c1ccco1 ZINC000646775686 914834966 /nfs/dbraw/zinc/83/49/66/914834966.db2.gz NSTJVSHIKOKFBS-OAQYLSRUSA-N 2 2 394.519 3.562 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)c1ccco1 ZINC000646775686 914834980 /nfs/dbraw/zinc/83/49/80/914834980.db2.gz NSTJVSHIKOKFBS-OAQYLSRUSA-N 2 2 394.519 3.562 20 0 GHADLP C[NH+]1C(C)(C)CC([NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1(C)C ZINC001171642976 904931881 /nfs/dbraw/zinc/93/18/81/904931881.db2.gz OIVCSYRGTCEGES-UHFFFAOYSA-N 2 2 377.960 3.749 20 0 GHADLP CC1(C)C[C@H]([NH2+]Cc2ccnn2CC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001171979951 905228142 /nfs/dbraw/zinc/22/81/42/905228142.db2.gz RNYUEXLGBSZAQH-QGZVFWFLSA-N 2 2 380.458 3.978 20 0 GHADLP CC1(C)C[C@H]([NH2+]Cc2ccnn2CC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001171979951 905228155 /nfs/dbraw/zinc/22/81/55/905228155.db2.gz RNYUEXLGBSZAQH-QGZVFWFLSA-N 2 2 380.458 3.978 20 0 GHADLP [NH3+]CC[N@H+](Cc1ccccc1)C1CCN(c2ccc(Br)cc2)CC1 ZINC001171985677 905243554 /nfs/dbraw/zinc/24/35/54/905243554.db2.gz LFUNFJKZJQCJGA-UHFFFAOYSA-N 2 2 388.353 3.879 20 0 GHADLP [NH3+]CC[N@@H+](Cc1ccccc1)C1CCN(c2ccc(Br)cc2)CC1 ZINC001171985677 905243568 /nfs/dbraw/zinc/24/35/68/905243568.db2.gz LFUNFJKZJQCJGA-UHFFFAOYSA-N 2 2 388.353 3.879 20 0 GHADLP c1coc(C[NH+]2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)c1 ZINC001172074916 905283972 /nfs/dbraw/zinc/28/39/72/905283972.db2.gz MTBGQGQUNRPXHD-NUNAXRQHSA-N 2 2 379.548 3.983 20 0 GHADLP c1coc(C[NH+]2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)c1 ZINC001172074916 905283991 /nfs/dbraw/zinc/28/39/91/905283991.db2.gz MTBGQGQUNRPXHD-NUNAXRQHSA-N 2 2 379.548 3.983 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH+](Cc3ccccc3)C[C@@H]1C(F)(F)F)C2 ZINC001172134369 905346629 /nfs/dbraw/zinc/34/66/29/905346629.db2.gz WZRMWNLWMGPVFN-IYWMVGAKSA-N 2 2 381.486 3.750 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH+](Cc3ccccc3)C[C@@H]1C(F)(F)F)C2 ZINC001172134369 905346640 /nfs/dbraw/zinc/34/66/40/905346640.db2.gz WZRMWNLWMGPVFN-IYWMVGAKSA-N 2 2 381.486 3.750 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[N@H+](Cc3ccccc3)C[C@@H]1C(F)(F)F)C2 ZINC001172134369 905346657 /nfs/dbraw/zinc/34/66/57/905346657.db2.gz WZRMWNLWMGPVFN-IYWMVGAKSA-N 2 2 381.486 3.750 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[N@@H+](Cc3ccccc3)C[C@@H]1C(F)(F)F)C2 ZINC001172134369 905346675 /nfs/dbraw/zinc/34/66/75/905346675.db2.gz WZRMWNLWMGPVFN-IYWMVGAKSA-N 2 2 381.486 3.750 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@H]2CSc3ccccc3C2)cs1 ZINC001172183097 905386471 /nfs/dbraw/zinc/38/64/71/905386471.db2.gz BREPBABVLVJSFP-OAHLLOKOSA-N 2 2 379.620 3.745 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001172213846 905415867 /nfs/dbraw/zinc/41/58/67/905415867.db2.gz LLODPZKHXVJIKV-UHFFFAOYSA-N 2 2 387.911 3.714 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001172213846 905415871 /nfs/dbraw/zinc/41/58/71/905415871.db2.gz LLODPZKHXVJIKV-UHFFFAOYSA-N 2 2 387.911 3.714 20 0 GHADLP c1ccc([C@@H]2CC[C@@H]([NH+]3CCN(c4cc[nH+]c(N5CCCC5)n4)CC3)C2)cc1 ZINC001172567884 905629022 /nfs/dbraw/zinc/62/90/22/905629022.db2.gz HPNHLCNYHXXIQV-NHCUHLMSSA-N 2 2 377.536 3.535 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CC[C@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172581064 905681256 /nfs/dbraw/zinc/68/12/56/905681256.db2.gz OVUMJLCOBWMOIE-LNLFQRSKSA-N 2 2 377.504 3.608 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CC[C@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172581064 905681257 /nfs/dbraw/zinc/68/12/57/905681257.db2.gz OVUMJLCOBWMOIE-LNLFQRSKSA-N 2 2 377.504 3.608 20 0 GHADLP COC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)CC1 ZINC001172776285 905816264 /nfs/dbraw/zinc/81/62/64/905816264.db2.gz FEQZUQFNNAEZMP-FXAWDEMLSA-N 2 2 376.516 3.810 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+]([C@H](C)CCC(=O)OC(C)C)CC2 ZINC001172753012 905837071 /nfs/dbraw/zinc/83/70/71/905837071.db2.gz WCFVGDBCWGEQFN-QGZVFWFLSA-N 2 2 391.556 3.842 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+]([C@H](C)CCC(=O)OC(C)C)CC2 ZINC001172753012 905837082 /nfs/dbraw/zinc/83/70/82/905837082.db2.gz WCFVGDBCWGEQFN-QGZVFWFLSA-N 2 2 391.556 3.842 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+]([C@@H](C)CCC(=O)OC(C)C)CC2 ZINC001172753011 905837305 /nfs/dbraw/zinc/83/73/05/905837305.db2.gz WCFVGDBCWGEQFN-KRWDZBQOSA-N 2 2 391.556 3.842 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+]([C@@H](C)CCC(=O)OC(C)C)CC2 ZINC001172753011 905837318 /nfs/dbraw/zinc/83/73/18/905837318.db2.gz WCFVGDBCWGEQFN-KRWDZBQOSA-N 2 2 391.556 3.842 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H](C)Cc3ccc(F)cc3Cl)CC2)C1 ZINC001172870737 905942177 /nfs/dbraw/zinc/94/21/77/905942177.db2.gz CMLXTHMNRGAMTI-DOTOQJQBSA-N 2 2 396.934 3.760 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)Cc3ccc(F)cc3Cl)CC2)C1 ZINC001172870737 905942190 /nfs/dbraw/zinc/94/21/90/905942190.db2.gz CMLXTHMNRGAMTI-DOTOQJQBSA-N 2 2 396.934 3.760 20 0 GHADLP CC(C)(C)OC(=O)C[NH+]1CCC(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)CC1 ZINC001172882169 905968681 /nfs/dbraw/zinc/96/86/81/905968681.db2.gz DXBXEOGORHKYTN-UHFFFAOYSA-N 2 2 375.557 3.576 20 0 GHADLP CO[C@@H]1CCC[C@@H]([N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)C1 ZINC001172935750 906002641 /nfs/dbraw/zinc/00/26/41/906002641.db2.gz LIYAKKKHSVXCJA-VAMGGRTRSA-N 2 2 379.495 3.572 20 0 GHADLP CO[C@@H]1CCC[C@@H]([N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)C1 ZINC001172935750 906002657 /nfs/dbraw/zinc/00/26/57/906002657.db2.gz LIYAKKKHSVXCJA-VAMGGRTRSA-N 2 2 379.495 3.572 20 0 GHADLP CO[C@@H]1CCC[C@@H]([NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)C1 ZINC001172935750 906002674 /nfs/dbraw/zinc/00/26/74/906002674.db2.gz LIYAKKKHSVXCJA-VAMGGRTRSA-N 2 2 379.495 3.572 20 0 GHADLP CO[C@@H]1CCC[C@@H]([NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)C1 ZINC001172935750 906002689 /nfs/dbraw/zinc/00/26/89/906002689.db2.gz LIYAKKKHSVXCJA-VAMGGRTRSA-N 2 2 379.495 3.572 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccsc3C(F)(F)F)CC2)CC1 ZINC000628188303 906003809 /nfs/dbraw/zinc/00/38/09/906003809.db2.gz VRTSJFTXZQZVNO-UHFFFAOYSA-N 2 2 375.504 3.757 20 0 GHADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001172958149 906065932 /nfs/dbraw/zinc/06/59/32/906065932.db2.gz WAXAJIRATUGFMS-QUCCMNQESA-N 2 2 375.557 3.886 20 0 GHADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001172958149 906065940 /nfs/dbraw/zinc/06/59/40/906065940.db2.gz WAXAJIRATUGFMS-QUCCMNQESA-N 2 2 375.557 3.886 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000628424349 906120830 /nfs/dbraw/zinc/12/08/30/906120830.db2.gz GBJDULJHLAFGCH-QHCPKHFHSA-N 2 2 388.471 3.576 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000628424349 906120839 /nfs/dbraw/zinc/12/08/39/906120839.db2.gz GBJDULJHLAFGCH-QHCPKHFHSA-N 2 2 388.471 3.576 20 0 GHADLP [NH3+]C1(C(=O)NCc2ccccc2)CC[NH+](C2CCC3(CCCCC3)CC2)CC1 ZINC001173118803 906207167 /nfs/dbraw/zinc/20/71/67/906207167.db2.gz PZNUNNHDEZDMIB-UHFFFAOYSA-N 2 2 383.580 3.989 20 0 GHADLP CCOC(=O)[C@H]1CC12CCC([NH2+][C@@H](C[NH3+])c1ccc(Br)cc1)CC2 ZINC001173618594 906566170 /nfs/dbraw/zinc/56/61/70/906566170.db2.gz RHAIVJQZEUZDAP-ISXWCOSWSA-N 2 2 395.341 3.551 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1nc2ccc(Cl)cc2n1C ZINC000180193312 906712647 /nfs/dbraw/zinc/71/26/47/906712647.db2.gz ZCNJWRCDHGGSNE-QMIHWGKISA-N 2 2 390.959 3.645 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC000180416701 906763647 /nfs/dbraw/zinc/76/36/47/906763647.db2.gz VAJDHPPVQIWILR-UHFFFAOYSA-N 2 2 389.503 3.655 20 0 GHADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2OCc2cccnc2)CC[C@H]1C(F)(F)F ZINC000629652911 906929858 /nfs/dbraw/zinc/92/98/58/906929858.db2.gz CJXTYKNJWFTRCA-QZTJIDSGSA-N 2 2 379.426 3.620 20 0 GHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2OCc2cccnc2)CC[C@H]1C(F)(F)F ZINC000629652911 906929864 /nfs/dbraw/zinc/92/98/64/906929864.db2.gz CJXTYKNJWFTRCA-QZTJIDSGSA-N 2 2 379.426 3.620 20 0 GHADLP CCOc1cccc2cc([C@H](C)[NH2+]Cc3cccnc3N3CC[NH+](C)CC3)oc21 ZINC000181591541 907034392 /nfs/dbraw/zinc/03/43/92/907034392.db2.gz RIKDXCOPBMGWKI-KRWDZBQOSA-N 2 2 394.519 3.829 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182243765 907167643 /nfs/dbraw/zinc/16/76/43/907167643.db2.gz WMONDHSPMMAEEE-YADARESESA-N 3 2 390.531 3.680 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182243765 907167654 /nfs/dbraw/zinc/16/76/54/907167654.db2.gz WMONDHSPMMAEEE-YADARESESA-N 3 2 390.531 3.680 20 0 GHADLP O[C@@]1(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001174846713 907254110 /nfs/dbraw/zinc/25/41/10/907254110.db2.gz XEZGRALNMRTNLW-NZQKXSOJSA-N 2 2 386.486 3.781 20 0 GHADLP O[C@@]1(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001174846713 907254117 /nfs/dbraw/zinc/25/41/17/907254117.db2.gz XEZGRALNMRTNLW-NZQKXSOJSA-N 2 2 386.486 3.781 20 0 GHADLP O[C@@]1(C[NH+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001174846713 907254125 /nfs/dbraw/zinc/25/41/25/907254125.db2.gz XEZGRALNMRTNLW-NZQKXSOJSA-N 2 2 386.486 3.781 20 0 GHADLP O[C@@]1(C[NH+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001174846713 907254131 /nfs/dbraw/zinc/25/41/31/907254131.db2.gz XEZGRALNMRTNLW-NZQKXSOJSA-N 2 2 386.486 3.781 20 0 GHADLP C[C@]12C[NH+](CCOC(=O)Cc3ccccc3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001175382103 907528480 /nfs/dbraw/zinc/52/84/80/907528480.db2.gz NAENVQFUFYMYLP-JWQCQUIFSA-N 2 2 392.543 3.616 20 0 GHADLP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(OC)c1OC ZINC000631564310 907759534 /nfs/dbraw/zinc/75/95/34/907759534.db2.gz IZCLTUNSQFXCKW-OAQYLSRUSA-N 2 2 384.520 3.777 20 0 GHADLP C[C@@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185742967 907830143 /nfs/dbraw/zinc/83/01/43/907830143.db2.gz SGFKUVRSCCEEGT-QAPCUYQASA-N 2 2 398.576 3.652 20 0 GHADLP C[C@@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185742967 907830171 /nfs/dbraw/zinc/83/01/71/907830171.db2.gz SGFKUVRSCCEEGT-QAPCUYQASA-N 2 2 398.576 3.652 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(N2CCOCC2)c1 ZINC000366215033 921383772 /nfs/dbraw/zinc/38/37/72/921383772.db2.gz TTYHTUHFMSTNPX-QGZVFWFLSA-N 2 2 380.467 3.699 20 0 GHADLP CCOC(=O)CCC[NH2+][C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001176641553 908193647 /nfs/dbraw/zinc/19/36/47/908193647.db2.gz RRPHIGDXPMFJCH-LADGPHEKSA-N 2 2 380.532 3.978 20 0 GHADLP CCOC(=O)CCC[NH2+][C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001176641553 908193652 /nfs/dbraw/zinc/19/36/52/908193652.db2.gz RRPHIGDXPMFJCH-LADGPHEKSA-N 2 2 380.532 3.978 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc4c(c3)C[C@H](C)O4)CC2)c1 ZINC001177161914 908440975 /nfs/dbraw/zinc/44/09/75/908440975.db2.gz HDCXQDDBOVDNJE-FQEVSTJZSA-N 2 2 379.548 3.620 20 0 GHADLP CC(C)[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC001177186627 908464219 /nfs/dbraw/zinc/46/42/19/908464219.db2.gz STMKCRKLUNKHMK-XMMPIXPASA-N 2 2 382.548 3.927 20 0 GHADLP CCS(=O)(=O)CCCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000190654636 908513035 /nfs/dbraw/zinc/51/30/35/908513035.db2.gz KGGZDYVYAHXUOG-TZIWHRDSSA-N 2 2 380.598 3.576 20 0 GHADLP CCS(=O)(=O)CCCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000190654636 908513044 /nfs/dbraw/zinc/51/30/44/908513044.db2.gz KGGZDYVYAHXUOG-TZIWHRDSSA-N 2 2 380.598 3.576 20 0 GHADLP CCS(=O)(=O)CCCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000190654636 908513056 /nfs/dbraw/zinc/51/30/56/908513056.db2.gz KGGZDYVYAHXUOG-TZIWHRDSSA-N 2 2 380.598 3.576 20 0 GHADLP CCS(=O)(=O)CCCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000190654636 908513071 /nfs/dbraw/zinc/51/30/71/908513071.db2.gz KGGZDYVYAHXUOG-TZIWHRDSSA-N 2 2 380.598 3.576 20 0 GHADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3C)nc1)CCC2 ZINC000192705624 908816218 /nfs/dbraw/zinc/81/62/18/908816218.db2.gz SPSLIFXPXGNCJE-KRWDZBQOSA-N 2 2 394.475 3.821 20 0 GHADLP COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)n2c1CCCC2 ZINC001178409411 909048026 /nfs/dbraw/zinc/04/80/26/909048026.db2.gz RUNDCJRBQIMSAU-MRXNPFEDSA-N 2 2 378.476 3.648 20 0 GHADLP C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000267342408 909458705 /nfs/dbraw/zinc/45/87/05/909458705.db2.gz ICLZYDJOBDPQEQ-UHFFFAOYSA-N 2 2 388.515 3.668 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(C)c1Br ZINC001179914190 909833156 /nfs/dbraw/zinc/83/31/56/909833156.db2.gz SSQULQDWFUTWAO-QFBILLFUSA-N 2 2 394.401 3.524 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(C)c1Br ZINC001179914190 909833168 /nfs/dbraw/zinc/83/31/68/909833168.db2.gz SSQULQDWFUTWAO-QFBILLFUSA-N 2 2 394.401 3.524 20 0 GHADLP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001180051152 909914967 /nfs/dbraw/zinc/91/49/67/909914967.db2.gz BHARSLDJFISHBJ-YKSBVNFPSA-N 2 2 380.532 3.776 20 0 GHADLP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001180051152 909914979 /nfs/dbraw/zinc/91/49/79/909914979.db2.gz BHARSLDJFISHBJ-YKSBVNFPSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1NC(C)=O ZINC000268750964 909996510 /nfs/dbraw/zinc/99/65/10/909996510.db2.gz HPKPHLPYOPEMDE-MRXNPFEDSA-N 2 2 378.476 3.749 20 0 GHADLP CC[N@H+]([C@H](C)C(C)(C)n1cncn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000638075751 910047006 /nfs/dbraw/zinc/04/70/06/910047006.db2.gz HOPOBFYYHDSLSC-GOSISDBHSA-N 2 2 399.587 3.614 20 0 GHADLP CC[N@@H+]([C@H](C)C(C)(C)n1cncn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000638075751 910047015 /nfs/dbraw/zinc/04/70/15/910047015.db2.gz HOPOBFYYHDSLSC-GOSISDBHSA-N 2 2 399.587 3.614 20 0 GHADLP COCCCOc1cccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000269137932 910157557 /nfs/dbraw/zinc/15/75/57/910157557.db2.gz KPXINHWGBHGTGV-UHFFFAOYSA-N 2 2 398.551 3.639 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccccc2OCCCCO)CC1 ZINC000638788697 910235943 /nfs/dbraw/zinc/23/59/43/910235943.db2.gz QDWROOZNAAHMNK-LJQANCHMSA-N 2 2 383.536 3.548 20 0 GHADLP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CC[C@@H](C[NH+](C)Cc3cccnc3)C1)CC2 ZINC000639081392 910309143 /nfs/dbraw/zinc/30/91/43/910309143.db2.gz QNWNIUCMKLMGJF-RXVVDRJESA-N 2 2 381.520 3.540 20 0 GHADLP COc1cc2c(cc1OC)[C@@H]([N@H+]1CC[C@@H](C[NH+](C)Cc3cccnc3)C1)CC2 ZINC000639081392 910309158 /nfs/dbraw/zinc/30/91/58/910309158.db2.gz QNWNIUCMKLMGJF-RXVVDRJESA-N 2 2 381.520 3.540 20 0 GHADLP COc1cc2c(cc1OC)[C@@H]([NH+]1CC[C@@H](C[N@H+](C)Cc3cccnc3)C1)CC2 ZINC000639081392 910309165 /nfs/dbraw/zinc/30/91/65/910309165.db2.gz QNWNIUCMKLMGJF-RXVVDRJESA-N 2 2 381.520 3.540 20 0 GHADLP COc1cc2c(cc1OC)[C@@H]([NH+]1CC[C@@H](C[N@@H+](C)Cc3cccnc3)C1)CC2 ZINC000639081392 910309180 /nfs/dbraw/zinc/30/91/80/910309180.db2.gz QNWNIUCMKLMGJF-RXVVDRJESA-N 2 2 381.520 3.540 20 0 GHADLP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270224651 910486132 /nfs/dbraw/zinc/48/61/32/910486132.db2.gz HQTFGWLRHXCLFM-QGZVFWFLSA-N 2 2 379.508 3.598 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1cc2ccccc2s1 ZINC000247019265 910887014 /nfs/dbraw/zinc/88/70/14/910887014.db2.gz KSAVGQNJVSOCLU-LSTHTHJFSA-N 2 2 381.545 3.830 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1cc2ccccc2s1 ZINC000247019265 910887020 /nfs/dbraw/zinc/88/70/20/910887020.db2.gz KSAVGQNJVSOCLU-LSTHTHJFSA-N 2 2 381.545 3.830 20 0 GHADLP Clc1cccc(-c2noc(CC[NH2+]C3CCN(c4cccc[nH+]4)CC3)n2)c1 ZINC000271411379 910894389 /nfs/dbraw/zinc/89/43/89/910894389.db2.gz ABNCLSFROXNHNT-UHFFFAOYSA-N 2 2 383.883 3.586 20 0 GHADLP Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NCc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000152266047 911641270 /nfs/dbraw/zinc/64/12/70/911641270.db2.gz XTJOPQKGBGYBTB-LJQANCHMSA-N 2 2 394.567 3.528 20 0 GHADLP Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NCc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000152266047 911641287 /nfs/dbraw/zinc/64/12/87/911641287.db2.gz XTJOPQKGBGYBTB-LJQANCHMSA-N 2 2 394.567 3.528 20 0 GHADLP Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NCc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000152265970 911641876 /nfs/dbraw/zinc/64/18/76/911641876.db2.gz XTJOPQKGBGYBTB-IBGZPJMESA-N 2 2 394.567 3.528 20 0 GHADLP Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NCc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000152265970 911641887 /nfs/dbraw/zinc/64/18/87/911641887.db2.gz XTJOPQKGBGYBTB-IBGZPJMESA-N 2 2 394.567 3.528 20 0 GHADLP COc1ccc2c(C[N@@H+]3CCC[C@H](C[NH+]4CCCC[C@H]4C)C3)cc(=O)oc2c1 ZINC000303533718 914909858 /nfs/dbraw/zinc/90/98/58/914909858.db2.gz FEJIJRUEXLKIIT-MSOLQXFVSA-N 2 2 384.520 3.888 20 0 GHADLP COc1ccc2c(C[N@H+]3CCC[C@H](C[NH+]4CCCC[C@H]4C)C3)cc(=O)oc2c1 ZINC000303533718 914909869 /nfs/dbraw/zinc/90/98/69/914909869.db2.gz FEJIJRUEXLKIIT-MSOLQXFVSA-N 2 2 384.520 3.888 20 0 GHADLP COc1ccc2c(C[NH+]3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)cc(=O)oc2c1 ZINC000303533718 914909879 /nfs/dbraw/zinc/90/98/79/914909879.db2.gz FEJIJRUEXLKIIT-MSOLQXFVSA-N 2 2 384.520 3.888 20 0 GHADLP COc1ccc2c(C[NH+]3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)cc(=O)oc2c1 ZINC000303533718 914909893 /nfs/dbraw/zinc/90/98/93/914909893.db2.gz FEJIJRUEXLKIIT-MSOLQXFVSA-N 2 2 384.520 3.888 20 0 GHADLP CCOc1cc(C[NH+]2CCC([NH3+])CC2)ccc1OCCOc1ccc(C)cc1 ZINC000647481945 915294880 /nfs/dbraw/zinc/29/48/80/915294880.db2.gz VLEDCCBPWJRZAQ-UHFFFAOYSA-N 2 2 384.520 3.775 20 0 GHADLP FC(F)Oc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1Br ZINC000647553675 915321587 /nfs/dbraw/zinc/32/15/87/915321587.db2.gz GZWOZWXWSUTSOU-AWEZNQCLSA-N 2 2 375.257 3.815 20 0 GHADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000647940095 915444494 /nfs/dbraw/zinc/44/44/94/915444494.db2.gz MDQHCVFMSFGKDD-SFGWALBWSA-N 2 2 381.520 3.652 20 0 GHADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000647940095 915444507 /nfs/dbraw/zinc/44/45/07/915444507.db2.gz MDQHCVFMSFGKDD-SFGWALBWSA-N 2 2 381.520 3.652 20 0 GHADLP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000292499419 915713162 /nfs/dbraw/zinc/71/31/62/915713162.db2.gz ZDGPVVYEKDYSLV-GGAORHGYSA-N 2 2 386.499 3.688 20 0 GHADLP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000292499419 915713167 /nfs/dbraw/zinc/71/31/67/915713167.db2.gz ZDGPVVYEKDYSLV-GGAORHGYSA-N 2 2 386.499 3.688 20 0 GHADLP COc1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)cc1C[NH+]1CCCCC1 ZINC000775362693 917167976 /nfs/dbraw/zinc/16/79/76/917167976.db2.gz GPXLZJHPGHJCOX-VGSWGCGISA-N 2 2 381.520 3.558 20 0 GHADLP CC(C)COC(=O)N1CCC([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000775373878 917239595 /nfs/dbraw/zinc/23/95/95/917239595.db2.gz DLKMCNLYKFAPMC-JOCHJYFZSA-N 2 2 387.568 3.744 20 0 GHADLP CC(C)COC(=O)N1CCC([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000775373878 917239603 /nfs/dbraw/zinc/23/96/03/917239603.db2.gz DLKMCNLYKFAPMC-JOCHJYFZSA-N 2 2 387.568 3.744 20 0 GHADLP Clc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC001190643578 917473360 /nfs/dbraw/zinc/47/33/60/917473360.db2.gz MCFDXVSNXBANPS-OAQYLSRUSA-N 2 2 398.982 3.812 20 0 GHADLP Clc1ccc(CC[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC001190643578 917473366 /nfs/dbraw/zinc/47/33/66/917473366.db2.gz MCFDXVSNXBANPS-OAQYLSRUSA-N 2 2 398.982 3.812 20 0 GHADLP CN(C(=O)CCCc1ccc2c(c1)CCCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651314845 917579017 /nfs/dbraw/zinc/57/90/17/917579017.db2.gz JYIWQLHAWRSALB-DEOSSOPVSA-N 2 2 397.607 3.515 20 0 GHADLP CN(C(=O)CCCc1ccc2c(c1)CCCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651314845 917579023 /nfs/dbraw/zinc/57/90/23/917579023.db2.gz JYIWQLHAWRSALB-DEOSSOPVSA-N 2 2 397.607 3.515 20 0 GHADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000651472619 917614645 /nfs/dbraw/zinc/61/46/45/917614645.db2.gz DHJABKPORRAPAQ-UHFFFAOYSA-N 2 2 382.552 3.700 20 0 GHADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000651472619 917614648 /nfs/dbraw/zinc/61/46/48/917614648.db2.gz DHJABKPORRAPAQ-UHFFFAOYSA-N 2 2 382.552 3.700 20 0 GHADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000363065865 917713025 /nfs/dbraw/zinc/71/30/25/917713025.db2.gz HDNGQUNUMDSZGD-AWEZNQCLSA-N 2 2 394.441 3.788 20 0 GHADLP Cc1ccc(N2CCC(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)CC2)[nH+]c1 ZINC000363274177 918016053 /nfs/dbraw/zinc/01/60/53/918016053.db2.gz JJCWDQANQMHXRA-HXUWFJFHSA-N 2 2 396.535 3.543 20 0 GHADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000363793550 918869729 /nfs/dbraw/zinc/86/97/29/918869729.db2.gz REMQVZOMEGXKBY-KRWDZBQOSA-N 2 2 381.524 3.931 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)NC1CC[NH+](C2CCC2)CC1 ZINC000297777176 919763903 /nfs/dbraw/zinc/76/39/03/919763903.db2.gz NHIPDTWVLBQCDX-UHFFFAOYSA-N 2 2 391.519 3.740 20 0 GHADLP CO[C@H](C)c1nsc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000800853343 920531406 /nfs/dbraw/zinc/53/14/06/920531406.db2.gz PEYFKUKYBSORFH-CQSZACIVSA-N 2 2 375.542 3.767 20 0 GHADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900956126 920761626 /nfs/dbraw/zinc/76/16/26/920761626.db2.gz UQWQTOHNCIQCHH-UHFFFAOYSA-N 2 2 377.492 3.618 20 0 GHADLP C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1c1cccs1 ZINC000365568331 920958200 /nfs/dbraw/zinc/95/82/00/920958200.db2.gz GUDKNCDSODGCFU-TZIWHRDSSA-N 2 2 394.544 3.806 20 0 GHADLP C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1c1cccs1 ZINC000365568331 920958220 /nfs/dbraw/zinc/95/82/20/920958220.db2.gz GUDKNCDSODGCFU-TZIWHRDSSA-N 2 2 394.544 3.806 20 0 GHADLP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc(Br)s1 ZINC000902500179 922241316 /nfs/dbraw/zinc/24/13/16/922241316.db2.gz CQMNMIVIFIQNOZ-PLQHRBFRSA-N 2 2 394.338 3.812 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902766008 922482980 /nfs/dbraw/zinc/48/29/80/922482980.db2.gz WIDZIXGJEULNHE-VGSWGCGISA-N 2 2 390.487 3.841 20 0 GHADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)s1 ZINC000902767810 922486798 /nfs/dbraw/zinc/48/67/98/922486798.db2.gz KCDABHFVDBGASY-ZDUSSCGKSA-N 2 2 384.471 3.765 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000368433329 922670480 /nfs/dbraw/zinc/67/04/80/922670480.db2.gz GRDDIXQRYDNZKQ-UXHICEINSA-N 2 2 392.975 3.601 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000368433329 922670488 /nfs/dbraw/zinc/67/04/88/922670488.db2.gz GRDDIXQRYDNZKQ-UXHICEINSA-N 2 2 392.975 3.601 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903058131 922735444 /nfs/dbraw/zinc/73/54/44/922735444.db2.gz DYJCMYIXNQRDOL-KRWDZBQOSA-N 2 2 375.476 3.643 20 0 GHADLP C[C@H]([NH2+]CC1(OCCO)CCC(C(F)F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903263228 922890529 /nfs/dbraw/zinc/89/05/29/922890529.db2.gz LRZGSOZEGQOTGB-AFJQURTJSA-N 2 2 393.478 3.726 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903424375 923014455 /nfs/dbraw/zinc/01/44/55/923014455.db2.gz SVXFSAVMKKNXTB-MRXNPFEDSA-N 2 2 396.516 3.627 20 0 GHADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956196 923435633 /nfs/dbraw/zinc/43/56/33/923435633.db2.gz IQABLKYXJZHFDP-GOSISDBHSA-N 2 2 376.495 3.563 20 0 GHADLP Cc1c(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc2ccccn12 ZINC001137272462 924146391 /nfs/dbraw/zinc/14/63/91/924146391.db2.gz VXPKFCAROCBZOD-WPYKKVEZSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1c(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc2ccccn12 ZINC001137272462 924146414 /nfs/dbraw/zinc/14/64/14/924146414.db2.gz VXPKFCAROCBZOD-WPYKKVEZSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1c(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)nc2ccccn12 ZINC001137272462 924146422 /nfs/dbraw/zinc/14/64/22/924146422.db2.gz VXPKFCAROCBZOD-WPYKKVEZSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)nc2ccccn12 ZINC001137272462 924146427 /nfs/dbraw/zinc/14/64/27/924146427.db2.gz VXPKFCAROCBZOD-WPYKKVEZSA-N 2 2 389.547 3.770 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000677113224 924243855 /nfs/dbraw/zinc/24/38/55/924243855.db2.gz BVINEUUXBNLZTM-QUCCMNQESA-N 2 2 395.551 3.599 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000677113224 924243866 /nfs/dbraw/zinc/24/38/66/924243866.db2.gz BVINEUUXBNLZTM-QUCCMNQESA-N 2 2 395.551 3.599 20 0 GHADLP COc1cccc([C@@H](C)N2CC[NH+](Cc3ccc(OCC[NH+](C)C)cc3)CC2)c1 ZINC000678236566 924681223 /nfs/dbraw/zinc/68/12/23/924681223.db2.gz GLEWEHMWSYWSQK-HXUWFJFHSA-N 2 2 397.563 3.514 20 0 GHADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cscc2Cl)CC1 ZINC000678268351 924698008 /nfs/dbraw/zinc/69/80/08/924698008.db2.gz YQVWZMZULXADFM-UHFFFAOYSA-N 2 2 379.957 3.664 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c4ccc(F)cc34)CC2)C1 ZINC001137334950 924738798 /nfs/dbraw/zinc/73/87/98/924738798.db2.gz AWDJBEKDIGHMGQ-MRXNPFEDSA-N 2 2 387.499 3.547 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c4ccc(F)cc34)CC2)C1 ZINC001137334950 924738806 /nfs/dbraw/zinc/73/88/06/924738806.db2.gz AWDJBEKDIGHMGQ-MRXNPFEDSA-N 2 2 387.499 3.547 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2CNc2ccc(N3CCCC3)c[nH+]2)CC1 ZINC000678359351 924741397 /nfs/dbraw/zinc/74/13/97/924741397.db2.gz JKKISIMYGKHSLX-UHFFFAOYSA-N 2 2 385.943 3.699 20 0 GHADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000678931286 924976675 /nfs/dbraw/zinc/97/66/75/924976675.db2.gz YSYKZFQOVOEFHW-JOCHJYFZSA-N 2 2 382.552 3.729 20 0 GHADLP Cc1ccncc1[C@H](C)[NH2+]CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000679940767 925312686 /nfs/dbraw/zinc/31/26/86/925312686.db2.gz BTPNTTPGNHXWRR-FQEVSTJZSA-N 2 2 394.563 3.508 20 0 GHADLP CN(C)C(=O)[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000680036951 925338074 /nfs/dbraw/zinc/33/80/74/925338074.db2.gz CASYQYFHLAJEFE-CJRSTVEYSA-N 2 2 391.559 3.706 20 0 GHADLP CN(C)C(=O)[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000680036951 925338093 /nfs/dbraw/zinc/33/80/93/925338093.db2.gz CASYQYFHLAJEFE-CJRSTVEYSA-N 2 2 391.559 3.706 20 0 GHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3c[nH]nc3-c3ccccc3)C2)CC1 ZINC000373495959 926193726 /nfs/dbraw/zinc/19/37/26/926193726.db2.gz OFEIZNZCMUDMPU-UHFFFAOYSA-N 2 2 378.442 3.972 20 0 GHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc2c(c1)OCCO2 ZINC000373519573 926214256 /nfs/dbraw/zinc/21/42/56/926214256.db2.gz JIYZYQREGCTCFW-NVPAJSRCSA-N 2 2 384.442 3.914 20 0 GHADLP CCOC(=O)c1ccc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000411538692 926503428 /nfs/dbraw/zinc/50/34/28/926503428.db2.gz KZVUUKDCMVWSGK-OEWRPIJISA-N 2 2 381.520 3.505 20 0 GHADLP CCOC(=O)c1ccc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000411538692 926503433 /nfs/dbraw/zinc/50/34/33/926503433.db2.gz KZVUUKDCMVWSGK-OEWRPIJISA-N 2 2 381.520 3.505 20 0 GHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000726237001 926601472 /nfs/dbraw/zinc/60/14/72/926601472.db2.gz IQEICDMDQJBPGB-RXVVDRJESA-N 2 2 389.503 3.507 20 0 GHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000726237001 926601483 /nfs/dbraw/zinc/60/14/83/926601483.db2.gz IQEICDMDQJBPGB-RXVVDRJESA-N 2 2 389.503 3.507 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)CCC2 ZINC000374576450 927302259 /nfs/dbraw/zinc/30/22/59/927302259.db2.gz PHZQOFPGBCDSNO-CRAIPNDOSA-N 2 2 388.943 3.749 20 0 GHADLP Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(N(C)C)[nH+]1 ZINC000750386339 927595728 /nfs/dbraw/zinc/59/57/28/927595728.db2.gz DVHATRZXEQLNSR-MJGOQNOKSA-N 2 2 381.524 3.631 20 0 GHADLP Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(N(C)C)[nH+]1 ZINC000750386339 927595732 /nfs/dbraw/zinc/59/57/32/927595732.db2.gz DVHATRZXEQLNSR-MJGOQNOKSA-N 2 2 381.524 3.631 20 0 GHADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000375266814 928104558 /nfs/dbraw/zinc/10/45/58/928104558.db2.gz RHJRINQWUGBACE-IBGZPJMESA-N 2 2 382.552 3.748 20 0 GHADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000375266814 928104586 /nfs/dbraw/zinc/10/45/86/928104586.db2.gz RHJRINQWUGBACE-IBGZPJMESA-N 2 2 382.552 3.748 20 0 GHADLP O[C@@H](COc1ccc(Oc2ccccc2)cc1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467150778 928762491 /nfs/dbraw/zinc/76/24/91/928762491.db2.gz UQURLAJRVHCZHO-LJQANCHMSA-N 2 2 393.487 3.821 20 0 GHADLP C[NH+](C)CCN(C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CCCC1 ZINC000544229993 928957044 /nfs/dbraw/zinc/95/70/44/928957044.db2.gz OGTDDZAJJMLMKM-IBGZPJMESA-N 2 2 386.584 3.826 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1CO)CCS2 ZINC000467407898 929042325 /nfs/dbraw/zinc/04/23/25/929042325.db2.gz PDPPDDSMZVZCPQ-BVYCBKJFSA-N 2 2 398.572 3.705 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1CO)CCS2 ZINC000467407898 929042336 /nfs/dbraw/zinc/04/23/36/929042336.db2.gz PDPPDDSMZVZCPQ-BVYCBKJFSA-N 2 2 398.572 3.705 20 0 GHADLP CCS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)c1 ZINC000467422256 929054674 /nfs/dbraw/zinc/05/46/74/929054674.db2.gz ZNHBQCJDRUTEBL-UWJYYQICSA-N 2 2 378.582 3.613 20 0 GHADLP COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000753533829 929394572 /nfs/dbraw/zinc/39/45/72/929394572.db2.gz CMOUCIJZHJGUGE-IBGZPJMESA-N 2 2 382.489 3.546 20 0 GHADLP COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000753533829 929394578 /nfs/dbraw/zinc/39/45/78/929394578.db2.gz CMOUCIJZHJGUGE-IBGZPJMESA-N 2 2 382.489 3.546 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](C2CCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000469494888 929939214 /nfs/dbraw/zinc/93/92/14/929939214.db2.gz ZFNLFVDMZFZWLX-LJQANCHMSA-N 2 2 397.485 3.785 20 0 GHADLP Cc1ccc(NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c(F)c1 ZINC000469766906 930147142 /nfs/dbraw/zinc/14/71/42/930147142.db2.gz YCEIUWRXZKLWJS-QZTJIDSGSA-N 2 2 383.511 3.819 20 0 GHADLP Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1OC(F)F ZINC000469882180 930232245 /nfs/dbraw/zinc/23/22/45/930232245.db2.gz SDMSJCMACPQKKA-GDLCADMTSA-N 2 2 375.257 3.528 20 0 GHADLP Cc1cc(Br)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1OC(F)F ZINC000469882180 930232251 /nfs/dbraw/zinc/23/22/51/930232251.db2.gz SDMSJCMACPQKKA-GDLCADMTSA-N 2 2 375.257 3.528 20 0 GHADLP C[C@H](CCC1CC1)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000470337396 930540088 /nfs/dbraw/zinc/54/00/88/930540088.db2.gz LISIEQZDZFEZJA-QMMLZNLJSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@H](CCC1CC1)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000470337396 930540099 /nfs/dbraw/zinc/54/00/99/930540099.db2.gz LISIEQZDZFEZJA-QMMLZNLJSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@H](CCC1CC1)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000470337392 930540153 /nfs/dbraw/zinc/54/01/53/930540153.db2.gz LISIEQZDZFEZJA-DUXKGJEZSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@H](CCC1CC1)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000470337392 930540157 /nfs/dbraw/zinc/54/01/57/930540157.db2.gz LISIEQZDZFEZJA-DUXKGJEZSA-N 2 2 378.605 3.544 20 0 GHADLP CC(=O)N1CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c2ccccc21 ZINC000781517649 930875610 /nfs/dbraw/zinc/87/56/10/930875610.db2.gz OXOZKDGXPFIQOA-QHCPKHFHSA-N 2 2 392.547 3.809 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2Oc2ccccc2C)CC1 ZINC000547330263 930921696 /nfs/dbraw/zinc/92/16/96/930921696.db2.gz OADOYFDHNYIMDQ-IRLDBZIGSA-N 2 2 388.552 3.692 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000547509030 931081547 /nfs/dbraw/zinc/08/15/47/931081547.db2.gz RYMHIGABPMNQKP-GCJKJVERSA-N 2 2 381.520 3.524 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000547509030 931081559 /nfs/dbraw/zinc/08/15/59/931081559.db2.gz RYMHIGABPMNQKP-GCJKJVERSA-N 2 2 381.520 3.524 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000782545202 931263765 /nfs/dbraw/zinc/26/37/65/931263765.db2.gz CELOMDKQNYLQGO-IAGOWNOFSA-N 2 2 388.487 3.937 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2cn(C(C)C)nn2)CC1 ZINC000924958926 931595068 /nfs/dbraw/zinc/59/50/68/931595068.db2.gz BFSSJLNTFXXNDO-SJORKVTESA-N 2 2 388.535 3.552 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)CCOCC1)c1ccccc1 ZINC000925112930 931651494 /nfs/dbraw/zinc/65/14/94/931651494.db2.gz OEHRQCPQFDRMJF-AJSBUHFISA-N 2 2 396.579 3.621 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CCOCC1)c1ccccc1 ZINC000925112933 931651582 /nfs/dbraw/zinc/65/15/82/931651582.db2.gz OEHRQCPQFDRMJF-WWPVKYPJSA-N 2 2 396.579 3.621 20 0 GHADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[NH2+]C2(c3ccc(Cl)cc3)CCCCC2)C1 ZINC000783975898 931737257 /nfs/dbraw/zinc/73/72/57/931737257.db2.gz ZUVOZIJLMVMGGX-MRXNPFEDSA-N 2 2 386.927 3.796 20 0 GHADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000925557865 931822470 /nfs/dbraw/zinc/82/24/70/931822470.db2.gz QBPGSJMMLDEIDY-ZTCHMBHUSA-N 3 2 397.607 3.540 20 0 GHADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000925557865 931822477 /nfs/dbraw/zinc/82/24/77/931822477.db2.gz QBPGSJMMLDEIDY-ZTCHMBHUSA-N 3 2 397.607 3.540 20 0 GHADLP COc1ccc([C@H](Cc2ccccc2)[N@@H+]2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000925752560 931894522 /nfs/dbraw/zinc/89/45/22/931894522.db2.gz WJPRDLKDGGHREB-FQEVSTJZSA-N 2 2 379.529 3.953 20 0 GHADLP COc1ccc([C@H](Cc2ccccc2)[N@H+]2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000925752560 931894529 /nfs/dbraw/zinc/89/45/29/931894529.db2.gz WJPRDLKDGGHREB-FQEVSTJZSA-N 2 2 379.529 3.953 20 0 GHADLP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1COCc2cccc(Cl)c21 ZINC000926124101 932056916 /nfs/dbraw/zinc/05/69/16/932056916.db2.gz GCYWGYKJHJUHFQ-PZJWPPBQSA-N 2 2 386.923 3.658 20 0 GHADLP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1COCc2cccc(Cl)c21 ZINC000926124101 932056922 /nfs/dbraw/zinc/05/69/22/932056922.db2.gz GCYWGYKJHJUHFQ-PZJWPPBQSA-N 2 2 386.923 3.658 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H](C2CCCC2)C1 ZINC000926448813 932189162 /nfs/dbraw/zinc/18/91/62/932189162.db2.gz CETRLRGJXIMVIG-KURKYZTESA-N 2 2 388.556 3.672 20 0 GHADLP CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000558738423 932202823 /nfs/dbraw/zinc/20/28/23/932202823.db2.gz QYLVPGRXRZLGBH-JOCHJYFZSA-N 2 2 379.548 3.535 20 0 GHADLP CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000558738423 932202830 /nfs/dbraw/zinc/20/28/30/932202830.db2.gz QYLVPGRXRZLGBH-JOCHJYFZSA-N 2 2 379.548 3.535 20 0 GHADLP Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)nc(C(C)C)[nH+]1 ZINC000558974381 932348038 /nfs/dbraw/zinc/34/80/38/932348038.db2.gz WXZWLUFRPPKQKH-OAQYLSRUSA-N 2 2 394.563 3.671 20 0 GHADLP Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)nc(C(C)C)[nH+]1 ZINC000558974381 932348046 /nfs/dbraw/zinc/34/80/46/932348046.db2.gz WXZWLUFRPPKQKH-OAQYLSRUSA-N 2 2 394.563 3.671 20 0 GHADLP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000559245227 932546509 /nfs/dbraw/zinc/54/65/09/932546509.db2.gz VVQMTJMEMQTLQI-DENIHFKCSA-N 2 2 388.552 3.511 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000559312294 932593956 /nfs/dbraw/zinc/59/39/56/932593956.db2.gz SCIFLUUYQQSMLK-CJFMBICVSA-N 2 2 391.559 3.698 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000559312294 932593960 /nfs/dbraw/zinc/59/39/60/932593960.db2.gz SCIFLUUYQQSMLK-CJFMBICVSA-N 2 2 391.559 3.698 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000559312294 932593966 /nfs/dbraw/zinc/59/39/66/932593966.db2.gz SCIFLUUYQQSMLK-CJFMBICVSA-N 2 2 391.559 3.698 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000559312294 932593973 /nfs/dbraw/zinc/59/39/73/932593973.db2.gz SCIFLUUYQQSMLK-CJFMBICVSA-N 2 2 391.559 3.698 20 0 GHADLP C[N@H+](Cc1ccc(C(F)(F)F)cn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000560160511 933100294 /nfs/dbraw/zinc/10/02/94/933100294.db2.gz ZTYYIBZXVMYKPP-UHFFFAOYSA-N 2 2 378.442 3.634 20 0 GHADLP C[N@@H+](Cc1ccc(C(F)(F)F)cn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000560160511 933100296 /nfs/dbraw/zinc/10/02/96/933100296.db2.gz ZTYYIBZXVMYKPP-UHFFFAOYSA-N 2 2 378.442 3.634 20 0 GHADLP CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001115984804 933269911 /nfs/dbraw/zinc/26/99/11/933269911.db2.gz DGWFBOUGUDHCDP-HXUWFJFHSA-N 2 2 394.523 3.526 20 0 GHADLP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001115984804 933269915 /nfs/dbraw/zinc/26/99/15/933269915.db2.gz DGWFBOUGUDHCDP-HXUWFJFHSA-N 2 2 394.523 3.526 20 0 GHADLP COc1ccc(CCCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(OC)c1 ZINC001116372501 933514703 /nfs/dbraw/zinc/51/47/03/933514703.db2.gz PHAKQAMMVUMNHA-UHFFFAOYSA-N 2 2 380.448 3.554 20 0 GHADLP CCCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000561194314 933947101 /nfs/dbraw/zinc/94/71/01/933947101.db2.gz ZRGPABXRYHEPBO-HXUWFJFHSA-N 2 2 386.584 3.828 20 0 GHADLP C[NH2+]CCCCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001121996772 934800713 /nfs/dbraw/zinc/80/07/13/934800713.db2.gz NHDIJNLUUBTPDB-UHFFFAOYSA-N 2 2 376.504 3.604 20 0 GHADLP C[C@@H]1C[C@H]2CC[C@@H](C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)C[N@@H+]2C1 ZINC001123677165 935250444 /nfs/dbraw/zinc/25/04/44/935250444.db2.gz GDSZAFNBZTZWBS-BHIYHBOVSA-N 2 2 376.504 3.661 20 0 GHADLP C[C@@H]1C[C@H]2CC[C@@H](C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)C[N@H+]2C1 ZINC001123677165 935250450 /nfs/dbraw/zinc/25/04/50/935250450.db2.gz GDSZAFNBZTZWBS-BHIYHBOVSA-N 2 2 376.504 3.661 20 0 GHADLP Cc1cccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1F ZINC001137675041 935698224 /nfs/dbraw/zinc/69/82/24/935698224.db2.gz QJZIWUCWIIBWPD-FSSWDIPSSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1cccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1F ZINC001137675041 935698227 /nfs/dbraw/zinc/69/82/27/935698227.db2.gz QJZIWUCWIIBWPD-FSSWDIPSSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c1F ZINC001137675041 935698231 /nfs/dbraw/zinc/69/82/31/935698231.db2.gz QJZIWUCWIIBWPD-FSSWDIPSSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c1F ZINC001137675041 935698235 /nfs/dbraw/zinc/69/82/35/935698235.db2.gz QJZIWUCWIIBWPD-FSSWDIPSSA-N 2 2 382.527 3.706 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000545204715 1015651284 /nfs/dbraw/zinc/65/12/84/1015651284.db2.gz HJNSONAFLSHSQU-OAHLLOKOSA-N 2 2 386.458 3.644 20 0 GHADLP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000468669505 1015889046 /nfs/dbraw/zinc/88/90/46/1015889046.db2.gz AEIOQXRFTDNNIG-RBUKOAKNSA-N 2 2 398.954 3.598 20 0 GHADLP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000468669505 1015889060 /nfs/dbraw/zinc/88/90/60/1015889060.db2.gz AEIOQXRFTDNNIG-RBUKOAKNSA-N 2 2 398.954 3.598 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000469006925 1016330728 /nfs/dbraw/zinc/33/07/28/1016330728.db2.gz QZMMDMGBNULFKQ-PMACEKPBSA-N 2 2 377.960 3.714 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000469006925 1016330732 /nfs/dbraw/zinc/33/07/32/1016330732.db2.gz QZMMDMGBNULFKQ-PMACEKPBSA-N 2 2 377.960 3.714 20 0 GHADLP CCc1csc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000557705837 1017032632 /nfs/dbraw/zinc/03/26/32/1017032632.db2.gz YCYAETSSACGSOH-MSOLQXFVSA-N 2 2 393.601 3.506 20 0 GHADLP CCc1csc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000557705837 1017032642 /nfs/dbraw/zinc/03/26/42/1017032642.db2.gz YCYAETSSACGSOH-MSOLQXFVSA-N 2 2 393.601 3.506 20 0 GHADLP CCC(CC)[C@@H](CNC(=O)N1CCC(Nc2cccc[nH+]2)CC1)[NH+]1CCCC1 ZINC001220984297 1032223378 /nfs/dbraw/zinc/22/33/78/1032223378.db2.gz LQCDYPGFQAXFAI-HXUWFJFHSA-N 2 2 387.572 3.568 20 0 GHADLP c1[nH+]cn(-c2ncnc3cc(OCc4ccccc4)ccc32)c1C1CC[NH2+]CC1 ZINC001155062450 1032398621 /nfs/dbraw/zinc/39/86/21/1032398621.db2.gz ABYOIIRGPOSAGL-UHFFFAOYSA-N 2 2 385.471 3.862 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC001204216731 1032665174 /nfs/dbraw/zinc/66/51/74/1032665174.db2.gz GXNSHPSGFQYYKF-SFHVURJKSA-N 2 2 376.447 3.813 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC001204216731 1032665175 /nfs/dbraw/zinc/66/51/75/1032665175.db2.gz GXNSHPSGFQYYKF-SFHVURJKSA-N 2 2 376.447 3.813 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC001204217796 1032667638 /nfs/dbraw/zinc/66/76/38/1032667638.db2.gz ZUCBELGHRBBMNY-HXUWFJFHSA-N 2 2 387.474 3.615 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC001204217796 1032667648 /nfs/dbraw/zinc/66/76/48/1032667648.db2.gz ZUCBELGHRBBMNY-HXUWFJFHSA-N 2 2 387.474 3.615 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000558492576 1017214415 /nfs/dbraw/zinc/21/44/15/1017214415.db2.gz LHRIFBWASINEHF-QFIPXVFZSA-N 3 2 389.547 3.968 20 0 GHADLP CC1([NH+]2CCC2)CCC(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000927296042 1017383667 /nfs/dbraw/zinc/38/36/67/1017383667.db2.gz YQGCMLVJTWRJOQ-UHFFFAOYSA-N 2 2 399.583 3.515 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001204267688 1032709961 /nfs/dbraw/zinc/70/99/61/1032709961.db2.gz DRWIMWZDFIRSCV-SZPZYZBQSA-N 3 2 397.563 3.564 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001204267688 1032709947 /nfs/dbraw/zinc/70/99/47/1032709947.db2.gz DRWIMWZDFIRSCV-SZPZYZBQSA-N 3 2 397.563 3.564 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cc1 ZINC001204267688 1032709980 /nfs/dbraw/zinc/70/99/80/1032709980.db2.gz DRWIMWZDFIRSCV-SZPZYZBQSA-N 3 2 397.563 3.564 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cc1 ZINC001204267688 1032709994 /nfs/dbraw/zinc/70/99/94/1032709994.db2.gz DRWIMWZDFIRSCV-SZPZYZBQSA-N 3 2 397.563 3.564 20 0 GHADLP CCOc1ccc(-c2nc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)cs2)cc1OC ZINC000561284769 1017829906 /nfs/dbraw/zinc/82/99/06/1017829906.db2.gz SGDYVRFCUXQVTD-SFHVURJKSA-N 2 2 375.538 3.695 20 0 GHADLP CC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001204299246 1032739016 /nfs/dbraw/zinc/73/90/16/1032739016.db2.gz SNQYKNKSKBXUHU-XMMPIXPASA-N 2 2 380.532 3.907 20 0 GHADLP CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001204299246 1032739031 /nfs/dbraw/zinc/73/90/31/1032739031.db2.gz SNQYKNKSKBXUHU-XMMPIXPASA-N 2 2 380.532 3.907 20 0 GHADLP Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1C ZINC000562888815 1018756774 /nfs/dbraw/zinc/75/67/74/1018756774.db2.gz QBROZQRSUYWTBX-HXUWFJFHSA-N 2 2 382.552 3.870 20 0 GHADLP O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000564764019 1019110447 /nfs/dbraw/zinc/11/04/47/1019110447.db2.gz DBULUEFCUIHJNK-UHFFFAOYSA-N 2 2 384.549 3.516 20 0 GHADLP O=C(CC[N@H+]1CCc2ccccc2C1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000564764019 1019110451 /nfs/dbraw/zinc/11/04/51/1019110451.db2.gz DBULUEFCUIHJNK-UHFFFAOYSA-N 2 2 384.549 3.516 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)cs2)c(OC)c1 ZINC000565159528 1019169702 /nfs/dbraw/zinc/16/97/02/1019169702.db2.gz ZHCPYGLWOGAXGU-AWEZNQCLSA-N 2 2 384.505 3.550 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)cs2)c(OC)c1 ZINC000565159528 1019169708 /nfs/dbraw/zinc/16/97/08/1019169708.db2.gz ZHCPYGLWOGAXGU-AWEZNQCLSA-N 2 2 384.505 3.550 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)nc1C1CC1 ZINC000574627360 1019895286 /nfs/dbraw/zinc/89/52/86/1019895286.db2.gz ROTDDEVGCHRMCH-JXFKEZNVSA-N 2 2 385.552 3.878 20 0 GHADLP CCn1c(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)nc2cc(Br)ccc21 ZINC000628251726 1020681703 /nfs/dbraw/zinc/68/17/03/1020681703.db2.gz SWYROSQVTXLWFS-AWEZNQCLSA-N 2 2 379.346 3.781 20 0 GHADLP CCn1c(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)nc2cc(Br)ccc21 ZINC000628251726 1020681708 /nfs/dbraw/zinc/68/17/08/1020681708.db2.gz SWYROSQVTXLWFS-AWEZNQCLSA-N 2 2 379.346 3.781 20 0 GHADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000190778242 1020727225 /nfs/dbraw/zinc/72/72/25/1020727225.db2.gz KJLAVYAUXLURFG-UHFFFAOYSA-N 2 2 391.918 3.612 20 0 GHADLP COc1cccc2c1CC[C@H]([NH2+]C1CCN(c3ccc([NH+](C)C)cc3)CC1)C2 ZINC000192443638 1020878428 /nfs/dbraw/zinc/87/84/28/1020878428.db2.gz LFDVUQWKGCNFTJ-FQEVSTJZSA-N 2 2 379.548 3.877 20 0 GHADLP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000633379649 1020927834 /nfs/dbraw/zinc/92/78/34/1020927834.db2.gz ZTTCHTMOKRVBAG-IBGZPJMESA-N 2 2 375.900 3.652 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])c3c(F)cccc3F)cc2)C1 ZINC000645500680 1021123643 /nfs/dbraw/zinc/12/36/43/1021123643.db2.gz HYWBYTNZCHTCFS-YCRPNKLZSA-N 2 2 387.474 3.513 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])c3c(F)cccc3F)cc2)C1 ZINC000645500680 1021123649 /nfs/dbraw/zinc/12/36/49/1021123649.db2.gz HYWBYTNZCHTCFS-YCRPNKLZSA-N 2 2 387.474 3.513 20 0 GHADLP CC(C)(C)OC(=O)NC(C)(C)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800527978 1021314034 /nfs/dbraw/zinc/31/40/34/1021314034.db2.gz GIMWMRRSCVEIKZ-INIZCTEOSA-N 2 2 376.545 3.702 20 0 GHADLP CC(C)(C)OC(=O)NC(C)(C)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800527978 1021314052 /nfs/dbraw/zinc/31/40/52/1021314052.db2.gz GIMWMRRSCVEIKZ-INIZCTEOSA-N 2 2 376.545 3.702 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H](CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)C1 ZINC000801935528 1021456748 /nfs/dbraw/zinc/45/67/48/1021456748.db2.gz GQODYDNSDIJZAM-SFHVURJKSA-N 2 2 388.556 3.995 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C(F)(F)F)cn1 ZINC000902920102 1021550930 /nfs/dbraw/zinc/55/09/30/1021550930.db2.gz BNVRAMCWXBOYQO-XJKSGUPXSA-N 2 2 379.430 3.809 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4cc5ccccc5[nH]4)CC[C@@H]3C2)cs1 ZINC001137317113 1021899766 /nfs/dbraw/zinc/89/97/66/1021899766.db2.gz CHJQWJFBMYGWMA-XMSQKQJNSA-N 2 2 396.560 3.656 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4cc5ccccc5[nH]4)CC[C@@H]3C2)cs1 ZINC001137317113 1021899785 /nfs/dbraw/zinc/89/97/85/1021899785.db2.gz CHJQWJFBMYGWMA-XMSQKQJNSA-N 2 2 396.560 3.656 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4cc5ccccc5[nH]4)CC[C@@H]3C2)cs1 ZINC001137317113 1021899800 /nfs/dbraw/zinc/89/98/00/1021899800.db2.gz CHJQWJFBMYGWMA-XMSQKQJNSA-N 2 2 396.560 3.656 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4cc5ccccc5[nH]4)CC[C@@H]3C2)cs1 ZINC001137317113 1021899810 /nfs/dbraw/zinc/89/98/10/1021899810.db2.gz CHJQWJFBMYGWMA-XMSQKQJNSA-N 2 2 396.560 3.656 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001140523675 1021915830 /nfs/dbraw/zinc/91/58/30/1021915830.db2.gz SYNAGJAUDPMDNU-PWIZWCRZSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001140523675 1021915836 /nfs/dbraw/zinc/91/58/36/1021915836.db2.gz SYNAGJAUDPMDNU-PWIZWCRZSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001140523675 1021915844 /nfs/dbraw/zinc/91/58/44/1021915844.db2.gz SYNAGJAUDPMDNU-PWIZWCRZSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001140523675 1021915847 /nfs/dbraw/zinc/91/58/47/1021915847.db2.gz SYNAGJAUDPMDNU-PWIZWCRZSA-N 2 2 399.560 3.662 20 0 GHADLP Fc1cccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1Cl ZINC001140563023 1021974746 /nfs/dbraw/zinc/97/47/46/1021974746.db2.gz TTZBSSUPZDRDIG-YLJYHZDGSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1Cl ZINC001140563023 1021974751 /nfs/dbraw/zinc/97/47/51/1021974751.db2.gz TTZBSSUPZDRDIG-YLJYHZDGSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1Cl ZINC001140563023 1021974757 /nfs/dbraw/zinc/97/47/57/1021974757.db2.gz TTZBSSUPZDRDIG-YLJYHZDGSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1Cl ZINC001140563023 1021974758 /nfs/dbraw/zinc/97/47/58/1021974758.db2.gz TTZBSSUPZDRDIG-YLJYHZDGSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1Cl ZINC001140563316 1021975754 /nfs/dbraw/zinc/97/57/54/1021975754.db2.gz XKEMEIPTAZGWNY-UHFFFAOYSA-N 2 2 376.907 3.720 20 0 GHADLP Fc1cccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1Cl ZINC001140563316 1021975763 /nfs/dbraw/zinc/97/57/63/1021975763.db2.gz XKEMEIPTAZGWNY-UHFFFAOYSA-N 2 2 376.907 3.720 20 0 GHADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)ccc1C(F)(F)F ZINC001140566435 1021982033 /nfs/dbraw/zinc/98/20/33/1021982033.db2.gz GRUYLUGFWJYLRS-UHFFFAOYSA-N 2 2 380.838 3.676 20 0 GHADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)ccc1C(F)(F)F ZINC001140566435 1021982034 /nfs/dbraw/zinc/98/20/34/1021982034.db2.gz GRUYLUGFWJYLRS-UHFFFAOYSA-N 2 2 380.838 3.676 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c(Cl)ncc5ccccc54)C[C@H]3C2)cn1 ZINC001140722708 1022360918 /nfs/dbraw/zinc/36/09/18/1022360918.db2.gz IBVZZWODJHROCV-RTBURBONSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c(Cl)ncc5ccccc54)C[C@H]3C2)cn1 ZINC001140722708 1022360938 /nfs/dbraw/zinc/36/09/38/1022360938.db2.gz IBVZZWODJHROCV-RTBURBONSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c(Cl)ncc5ccccc54)C[C@H]3C2)cn1 ZINC001140722708 1022360953 /nfs/dbraw/zinc/36/09/53/1022360953.db2.gz IBVZZWODJHROCV-RTBURBONSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c(Cl)ncc5ccccc54)C[C@H]3C2)cn1 ZINC001140722708 1022360968 /nfs/dbraw/zinc/36/09/68/1022360968.db2.gz IBVZZWODJHROCV-RTBURBONSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cnc2ccc(C[NH+]3CC(c4[nH+]cn5cc(Br)ccc45)C3)cc21 ZINC001140740442 1022398710 /nfs/dbraw/zinc/39/87/10/1022398710.db2.gz LWEDTKVNJYGVIL-UHFFFAOYSA-N 2 2 396.292 3.583 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4c[nH]c5cc[nH+]cc45)CC3)C2)cc1 ZINC001140802705 1022572083 /nfs/dbraw/zinc/57/20/83/1022572083.db2.gz BEDLTNGGQRUMOS-UHFFFAOYSA-N 3 2 390.531 3.738 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4c[nH]c5cc[nH+]cc45)CC3)C2)cc1 ZINC001140802705 1022572096 /nfs/dbraw/zinc/57/20/96/1022572096.db2.gz BEDLTNGGQRUMOS-UHFFFAOYSA-N 3 2 390.531 3.738 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4c[nH]c5ccncc45)CC3)C2)cc1 ZINC001140802705 1022572102 /nfs/dbraw/zinc/57/21/02/1022572102.db2.gz BEDLTNGGQRUMOS-UHFFFAOYSA-N 2 2 390.531 3.738 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4c[nH]c5ccncc45)CC3)C2)cc1 ZINC001140802705 1022572110 /nfs/dbraw/zinc/57/21/10/1022572110.db2.gz BEDLTNGGQRUMOS-UHFFFAOYSA-N 2 2 390.531 3.738 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H]1C(F)(F)F ZINC001140805301 1022579628 /nfs/dbraw/zinc/57/96/28/1022579628.db2.gz AATYNIGCKFYNSR-ZBFHGGJFSA-N 2 2 398.429 3.840 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H]1C(F)(F)F ZINC001140805301 1022579644 /nfs/dbraw/zinc/57/96/44/1022579644.db2.gz AATYNIGCKFYNSR-ZBFHGGJFSA-N 2 2 398.429 3.840 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@H]1C(F)(F)F ZINC001140805299 1022580212 /nfs/dbraw/zinc/58/02/12/1022580212.db2.gz AATYNIGCKFYNSR-GOEBONIOSA-N 2 2 398.429 3.840 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@H]1C(F)(F)F ZINC001140805299 1022580221 /nfs/dbraw/zinc/58/02/21/1022580221.db2.gz AATYNIGCKFYNSR-GOEBONIOSA-N 2 2 398.429 3.840 20 0 GHADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc(O)c(F)c1F)CC2 ZINC001140888796 1022803712 /nfs/dbraw/zinc/80/37/12/1022803712.db2.gz IMLUFHFNSQDCCN-UHFFFAOYSA-N 2 2 387.474 3.942 20 0 GHADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc(O)c(F)c1F)CC2 ZINC001140888796 1022803726 /nfs/dbraw/zinc/80/37/26/1022803726.db2.gz IMLUFHFNSQDCCN-UHFFFAOYSA-N 2 2 387.474 3.942 20 0 GHADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)F)c(OCC4CC4)c3)C[C@@H]2C1 ZINC001140908711 1022849174 /nfs/dbraw/zinc/84/91/74/1022849174.db2.gz MEUVALQQWPOIMG-HDICACEKSA-N 2 2 380.479 3.850 20 0 GHADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)F)c(OCC4CC4)c3)C[C@@H]2C1 ZINC001140908711 1022849194 /nfs/dbraw/zinc/84/91/94/1022849194.db2.gz MEUVALQQWPOIMG-HDICACEKSA-N 2 2 380.479 3.850 20 0 GHADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)c(OCC4CC4)c3)C[C@@H]2C1 ZINC001140908711 1022849216 /nfs/dbraw/zinc/84/92/16/1022849216.db2.gz MEUVALQQWPOIMG-HDICACEKSA-N 2 2 380.479 3.850 20 0 GHADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC(F)F)c(OCC4CC4)c3)C[C@@H]2C1 ZINC001140908711 1022849232 /nfs/dbraw/zinc/84/92/32/1022849232.db2.gz MEUVALQQWPOIMG-HDICACEKSA-N 2 2 380.479 3.850 20 0 GHADLP C/C(=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000755206071 1023127973 /nfs/dbraw/zinc/12/79/73/1023127973.db2.gz KAESGEUQHROPHX-MMXYFPLCSA-N 2 2 383.580 3.886 20 0 GHADLP C/C(=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000755206071 1023127988 /nfs/dbraw/zinc/12/79/88/1023127988.db2.gz KAESGEUQHROPHX-MMXYFPLCSA-N 2 2 383.580 3.886 20 0 GHADLP Cc1cccc(-c2nn(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c(=S)n2C)c1 ZINC000755782529 1023374647 /nfs/dbraw/zinc/37/46/47/1023374647.db2.gz ZMYHUQIDAZTAQB-IBGZPJMESA-N 2 2 385.581 3.548 20 0 GHADLP Cc1cccc(-c2nn(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c(=S)n2C)c1 ZINC000755782529 1023374660 /nfs/dbraw/zinc/37/46/60/1023374660.db2.gz ZMYHUQIDAZTAQB-IBGZPJMESA-N 2 2 385.581 3.548 20 0 GHADLP COc1ccccc1-c1nn(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(=S)o1 ZINC000755781324 1023375153 /nfs/dbraw/zinc/37/51/53/1023375153.db2.gz UIDWAJKTLNLONV-MRXNPFEDSA-N 2 2 388.537 3.502 20 0 GHADLP COc1ccccc1-c1nn(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(=S)o1 ZINC000755781324 1023375162 /nfs/dbraw/zinc/37/51/62/1023375162.db2.gz UIDWAJKTLNLONV-MRXNPFEDSA-N 2 2 388.537 3.502 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141047651 1023382235 /nfs/dbraw/zinc/38/22/35/1023382235.db2.gz OKVNUPSMMKPQDE-UHFFFAOYSA-N 2 2 384.524 3.947 20 0 GHADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1cccc(C(C)(C)C)c1)CCC2 ZINC001141103999 1023505086 /nfs/dbraw/zinc/50/50/86/1023505086.db2.gz XJWRBLHRVGTAFZ-UHFFFAOYSA-N 2 2 396.579 3.789 20 0 GHADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](Cc1cccc(C(C)(C)C)c1)CCC2 ZINC001141103999 1023505098 /nfs/dbraw/zinc/50/50/98/1023505098.db2.gz XJWRBLHRVGTAFZ-UHFFFAOYSA-N 2 2 396.579 3.789 20 0 GHADLP Fc1ccc(-c2cc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccn2)cc1 ZINC001141116969 1023536068 /nfs/dbraw/zinc/53/60/68/1023536068.db2.gz SOQMGLDVEWYQES-VXKWHMMOSA-N 2 2 388.490 3.847 20 0 GHADLP COc1cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)cc(O)c1OC ZINC001141170151 1024002026 /nfs/dbraw/zinc/00/20/26/1024002026.db2.gz LVXRHSATXRKAJY-UHFFFAOYSA-N 2 2 393.487 3.588 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(OCC)cc3C)CC2)C1 ZINC001138432225 1024833980 /nfs/dbraw/zinc/83/39/80/1024833980.db2.gz IMRBQEZOTHIKIK-HXUWFJFHSA-N 2 2 388.552 3.633 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(OCC)cc3C)CC2)C1 ZINC001138432225 1024834003 /nfs/dbraw/zinc/83/40/03/1024834003.db2.gz IMRBQEZOTHIKIK-HXUWFJFHSA-N 2 2 388.552 3.633 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC)c(Cl)c1)C2 ZINC001138472414 1024901331 /nfs/dbraw/zinc/90/13/31/1024901331.db2.gz GIWSDTGFZSWGER-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC)c(Cl)c1)C2 ZINC001138472414 1024901335 /nfs/dbraw/zinc/90/13/35/1024901335.db2.gz GIWSDTGFZSWGER-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OC)c(Cl)c1)C2 ZINC001138472414 1024901339 /nfs/dbraw/zinc/90/13/39/1024901339.db2.gz GIWSDTGFZSWGER-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OC)c(Cl)c1)C2 ZINC001138472414 1024901342 /nfs/dbraw/zinc/90/13/42/1024901342.db2.gz GIWSDTGFZSWGER-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP CCCc1ccc(C[N@@H+]2CCCn3c(=O)cc(C[NH+](CC)CC)nc3C2)s1 ZINC001138525025 1024964885 /nfs/dbraw/zinc/96/48/85/1024964885.db2.gz VLPBQAZTWCFBGZ-UHFFFAOYSA-N 2 2 388.581 3.505 20 0 GHADLP CCCc1ccc(C[N@H+]2CCCn3c(=O)cc(C[NH+](CC)CC)nc3C2)s1 ZINC001138525025 1024964890 /nfs/dbraw/zinc/96/48/90/1024964890.db2.gz VLPBQAZTWCFBGZ-UHFFFAOYSA-N 2 2 388.581 3.505 20 0 GHADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc(Oc5ncccn5)c4)C[C@H]3C2)c1 ZINC001138619956 1025113691 /nfs/dbraw/zinc/11/36/91/1025113691.db2.gz KUUCWNUGERBNRS-OALUTQOASA-N 2 2 392.528 3.894 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205116469 1033261112 /nfs/dbraw/zinc/26/11/12/1033261112.db2.gz ABELMECFQICLAY-LBPRGKRZSA-N 2 2 384.307 3.965 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205116469 1033261119 /nfs/dbraw/zinc/26/11/19/1033261119.db2.gz ABELMECFQICLAY-LBPRGKRZSA-N 2 2 384.307 3.965 20 0 GHADLP CCN(CC)c1ncc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)s1 ZINC001138801253 1025388331 /nfs/dbraw/zinc/38/83/31/1025388331.db2.gz OQTPSKUSPDVUKR-WOJBJXKFSA-N 2 2 384.593 3.862 20 0 GHADLP COc1cc2[nH+]c(N(Cc3ccncc3)[C@H]3CC[C@H]([NH3+])CC3)ccc2c(OC)c1 ZINC001162197323 1025663386 /nfs/dbraw/zinc/66/33/86/1025663386.db2.gz DKCLSNCBZRPFIC-IYARVYRRSA-N 2 2 392.503 3.924 20 0 GHADLP CCCOc1ccccc1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001138998924 1025743873 /nfs/dbraw/zinc/74/38/73/1025743873.db2.gz RECJXPNZGORXFB-UHFFFAOYSA-N 2 2 382.552 3.716 20 0 GHADLP CCCOc1ccccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001138998924 1025743879 /nfs/dbraw/zinc/74/38/79/1025743879.db2.gz RECJXPNZGORXFB-UHFFFAOYSA-N 2 2 382.552 3.716 20 0 GHADLP C[C@H]1CCCN(c2cc(NCCCP(CCC[NH3+])c3ccccc3)[nH+]cn2)C1 ZINC001162469317 1025759215 /nfs/dbraw/zinc/75/92/15/1025759215.db2.gz PNXUZBPTYYSPAZ-ZAFBDEJNSA-N 2 2 399.523 3.671 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c4cc(Cl)ccc34)CC2)C1 ZINC001141591142 1025759721 /nfs/dbraw/zinc/75/97/21/1025759721.db2.gz QXWPXFGORZWCBT-OAHLLOKOSA-N 2 2 389.927 3.671 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c4cc(Cl)ccc34)CC2)C1 ZINC001141591142 1025759733 /nfs/dbraw/zinc/75/97/33/1025759733.db2.gz QXWPXFGORZWCBT-OAHLLOKOSA-N 2 2 389.927 3.671 20 0 GHADLP COc1cc(O)ccc1C[NH+]1CCC2(CCC[N@@H+]2Cc2c(C)noc2C)CC1 ZINC001139141317 1025955007 /nfs/dbraw/zinc/95/50/07/1025955007.db2.gz VTTUTVOGVYHMRT-UHFFFAOYSA-N 2 2 385.508 3.636 20 0 GHADLP COc1cc(O)ccc1C[NH+]1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001139141317 1025955008 /nfs/dbraw/zinc/95/50/08/1025955008.db2.gz VTTUTVOGVYHMRT-UHFFFAOYSA-N 2 2 385.508 3.636 20 0 GHADLP Clc1ccc(-c2cn3cc(NCc4noc5c4C[NH2+]CC5)ccc3[nH+]2)cc1 ZINC001163134577 1026061915 /nfs/dbraw/zinc/06/19/15/1026061915.db2.gz VYGUKUAWUBMJLU-UHFFFAOYSA-N 2 2 379.851 3.901 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001139358671 1026231562 /nfs/dbraw/zinc/23/15/62/1026231562.db2.gz UMIMBRKMXJBPJO-HKUYNNGSSA-N 2 2 384.524 3.855 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001139358671 1026231575 /nfs/dbraw/zinc/23/15/75/1026231575.db2.gz UMIMBRKMXJBPJO-HKUYNNGSSA-N 2 2 384.524 3.855 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360048 1026232615 /nfs/dbraw/zinc/23/26/15/1026232615.db2.gz GNKUQNSLQMLPQI-FNLKRUPLSA-N 2 2 382.508 3.892 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360048 1026232629 /nfs/dbraw/zinc/23/26/29/1026232629.db2.gz GNKUQNSLQMLPQI-FNLKRUPLSA-N 2 2 382.508 3.892 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n(-c2ccccc2)n1 ZINC001139360780 1026234344 /nfs/dbraw/zinc/23/43/44/1026234344.db2.gz HGZOBTHOONJFBL-UHFFFAOYSA-N 2 2 398.514 3.689 20 0 GHADLP C[C@@H]1CN(c2ccc(C[N@H+](C3CCCC3)C3CC[NH+](C)CC3)cn2)C[C@@H](C)O1 ZINC001139389550 1026256820 /nfs/dbraw/zinc/25/68/20/1026256820.db2.gz ULWHCWNONKHFOK-RTBURBONSA-N 2 2 386.584 3.534 20 0 GHADLP C[C@@H]1CN(c2ccc(C[N@@H+](C3CCCC3)C3CC[NH+](C)CC3)cn2)C[C@@H](C)O1 ZINC001139389550 1026256831 /nfs/dbraw/zinc/25/68/31/1026256831.db2.gz ULWHCWNONKHFOK-RTBURBONSA-N 2 2 386.584 3.534 20 0 GHADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001139653604 1026514863 /nfs/dbraw/zinc/51/48/63/1026514863.db2.gz BXDYTZMTJGRJKC-UHFFFAOYSA-N 2 2 393.597 3.959 20 0 GHADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001139653604 1026514873 /nfs/dbraw/zinc/51/48/73/1026514873.db2.gz BXDYTZMTJGRJKC-UHFFFAOYSA-N 2 2 393.597 3.959 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001139655629 1026517451 /nfs/dbraw/zinc/51/74/51/1026517451.db2.gz IVGJSQOKICSCIS-UHFFFAOYSA-N 2 2 390.553 3.760 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001139655629 1026517456 /nfs/dbraw/zinc/51/74/56/1026517456.db2.gz IVGJSQOKICSCIS-UHFFFAOYSA-N 2 2 390.553 3.760 20 0 GHADLP COC(=O)c1cc2[nH+]c[nH]c2c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164493642 1026531889 /nfs/dbraw/zinc/53/18/89/1026531889.db2.gz VMNWHQWAPGWNEJ-QXAKKESOSA-N 2 2 390.487 3.672 20 0 GHADLP COC(=O)c1cc2[nH+]c[nH]c2c(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164493642 1026531897 /nfs/dbraw/zinc/53/18/97/1026531897.db2.gz VMNWHQWAPGWNEJ-QXAKKESOSA-N 2 2 390.487 3.672 20 0 GHADLP Cn1c(=O)cc(C[N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)c2ccccc21 ZINC001139762579 1026599637 /nfs/dbraw/zinc/59/96/37/1026599637.db2.gz OAAOLMVRQGKGOD-UHFFFAOYSA-N 2 2 393.506 3.774 20 0 GHADLP Cn1c(=O)cc(C[N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)c2ccccc21 ZINC001139762579 1026599643 /nfs/dbraw/zinc/59/96/43/1026599643.db2.gz OAAOLMVRQGKGOD-UHFFFAOYSA-N 2 2 393.506 3.774 20 0 GHADLP Cc1nc(-c2ccccc2)sc1C[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001139825159 1026645292 /nfs/dbraw/zinc/64/52/92/1026645292.db2.gz ZOISEJWBDVZGLR-UHFFFAOYSA-N 2 2 384.593 3.578 20 0 GHADLP Cc1c[nH+]c(N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)c(C)c1 ZINC001165320574 1026703830 /nfs/dbraw/zinc/70/38/30/1026703830.db2.gz XZFIVNAFIWWJAS-HNNXBMFYSA-N 2 2 387.281 3.687 20 0 GHADLP CCc1ccccc1Oc1nc(Cl)ncc1-n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001165356725 1026712180 /nfs/dbraw/zinc/71/21/80/1026712180.db2.gz PYLZXIQKAUHLGU-UHFFFAOYSA-N 2 2 383.883 3.667 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 ZINC001140023641 1026810118 /nfs/dbraw/zinc/81/01/18/1026810118.db2.gz TVYDWHQOVUHPBL-LJQANCHMSA-N 2 2 382.508 3.670 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 ZINC001140023641 1026810128 /nfs/dbraw/zinc/81/01/28/1026810128.db2.gz TVYDWHQOVUHPBL-LJQANCHMSA-N 2 2 382.508 3.670 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001140026331 1026815175 /nfs/dbraw/zinc/81/51/75/1026815175.db2.gz KOIGWQGKLIEBRT-GOSISDBHSA-N 2 2 384.524 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001140026331 1026815180 /nfs/dbraw/zinc/81/51/80/1026815180.db2.gz KOIGWQGKLIEBRT-GOSISDBHSA-N 2 2 384.524 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001140030192 1026820052 /nfs/dbraw/zinc/82/00/52/1026820052.db2.gz XRXODUMSLLVZBM-SXLOBPIMSA-N 2 2 396.535 3.916 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001140030192 1026820060 /nfs/dbraw/zinc/82/00/60/1026820060.db2.gz XRXODUMSLLVZBM-SXLOBPIMSA-N 2 2 396.535 3.916 20 0 GHADLP COc1c(Cl)ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001209697590 1027098682 /nfs/dbraw/zinc/09/86/82/1027098682.db2.gz INQBWXZILJEKLR-AEFFLSMTSA-N 2 2 389.902 3.837 20 0 GHADLP COc1c(Cl)ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001209697590 1027098694 /nfs/dbraw/zinc/09/86/94/1027098694.db2.gz INQBWXZILJEKLR-AEFFLSMTSA-N 2 2 389.902 3.837 20 0 GHADLP COc1c(Cl)ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001209697590 1027098713 /nfs/dbraw/zinc/09/87/13/1027098713.db2.gz INQBWXZILJEKLR-AEFFLSMTSA-N 2 2 389.902 3.837 20 0 GHADLP COc1c(Cl)ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001209697590 1027098731 /nfs/dbraw/zinc/09/87/31/1027098731.db2.gz INQBWXZILJEKLR-AEFFLSMTSA-N 2 2 389.902 3.837 20 0 GHADLP CC(C)(C)OC(=O)NCC1(c2ccccc2)CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209729116 1027124790 /nfs/dbraw/zinc/12/47/90/1027124790.db2.gz GLUGROMDBIUEDC-UHFFFAOYSA-N 2 2 396.535 3.553 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc(OC)c1OC ZINC001203844606 1027650936 /nfs/dbraw/zinc/65/09/36/1027650936.db2.gz XGBNQPVQAXAUQN-SFTDATJTSA-N 2 2 396.531 3.585 20 0 GHADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000841043195 1028064014 /nfs/dbraw/zinc/06/40/14/1028064014.db2.gz UEYUONSZYCKYOO-UHFFFAOYSA-N 2 2 383.927 3.558 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3[nH]cnc3C(C)(C)C)C[C@H]21 ZINC001142226157 1028420880 /nfs/dbraw/zinc/42/08/80/1028420880.db2.gz HTSRIAUKXRIMNO-YFVAEKQCSA-N 2 2 381.568 3.835 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3[nH]cnc3C(C)(C)C)C[C@H]21 ZINC001142226157 1028420886 /nfs/dbraw/zinc/42/08/86/1028420886.db2.gz HTSRIAUKXRIMNO-YFVAEKQCSA-N 2 2 381.568 3.835 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3[nH]cnc3C(C)(C)C)C[C@H]21 ZINC001142226157 1028420896 /nfs/dbraw/zinc/42/08/96/1028420896.db2.gz HTSRIAUKXRIMNO-YFVAEKQCSA-N 2 2 381.568 3.835 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3[nH]cnc3C(C)(C)C)C[C@H]21 ZINC001142226157 1028420910 /nfs/dbraw/zinc/42/09/10/1028420910.db2.gz HTSRIAUKXRIMNO-YFVAEKQCSA-N 2 2 381.568 3.835 20 0 GHADLP C[NH+](C)Cc1ccc(CNc2c[nH+]cc3c2CCCC3)c2c1OC(F)(F)O2 ZINC001203120367 1028790080 /nfs/dbraw/zinc/79/00/80/1028790080.db2.gz XPPRYVQCKCENNO-UHFFFAOYSA-N 2 2 375.419 3.956 20 0 GHADLP C[C@@H](C[NH+](C)C)NC(=O)CC1=C(c2ccccc2)[NH2+]C(c2ccccc2)S1 ZINC001142486881 1028985711 /nfs/dbraw/zinc/98/57/11/1028985711.db2.gz OABYAXZXJIJSOZ-INIZCTEOSA-N 2 2 380.537 3.686 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC001215551042 1029275821 /nfs/dbraw/zinc/27/58/21/1029275821.db2.gz XXDSPNRFCCKCMX-UHFFFAOYSA-N 2 2 395.547 3.909 20 0 GHADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC000842672865 1029478409 /nfs/dbraw/zinc/47/84/09/1029478409.db2.gz FGQAWQKJAJVBKW-GFCCVEGCSA-N 2 2 377.273 3.870 20 0 GHADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC000842672865 1029478415 /nfs/dbraw/zinc/47/84/15/1029478415.db2.gz FGQAWQKJAJVBKW-GFCCVEGCSA-N 2 2 377.273 3.870 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CSc4ccccc4O3)CC2)cc1 ZINC000842721692 1029532973 /nfs/dbraw/zinc/53/29/73/1029532973.db2.gz KWFYRRDPQFSBTN-FQEVSTJZSA-N 2 2 383.561 3.864 20 0 GHADLP COc1cc(C)cc(OC)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001143139856 1029864407 /nfs/dbraw/zinc/86/44/07/1029864407.db2.gz SOWGPSMWZOYCEF-OYRHEFFESA-N 2 2 380.532 3.884 20 0 GHADLP COc1cc(C)cc(OC)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001143139856 1029864418 /nfs/dbraw/zinc/86/44/18/1029864418.db2.gz SOWGPSMWZOYCEF-OYRHEFFESA-N 2 2 380.532 3.884 20 0 GHADLP COc1cc(C)cc(OC)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001143139856 1029864428 /nfs/dbraw/zinc/86/44/28/1029864428.db2.gz SOWGPSMWZOYCEF-OYRHEFFESA-N 2 2 380.532 3.884 20 0 GHADLP COc1cc(C)cc(OC)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001143139856 1029864435 /nfs/dbraw/zinc/86/44/35/1029864435.db2.gz SOWGPSMWZOYCEF-OYRHEFFESA-N 2 2 380.532 3.884 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398912 1029969938 /nfs/dbraw/zinc/96/99/38/1029969938.db2.gz AXRVZQJTZGILPF-MISYRCLQSA-N 2 2 398.551 3.939 20 0 GHADLP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1cc(C)cc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC001222225702 1030019408 /nfs/dbraw/zinc/01/94/08/1030019408.db2.gz HETIFGUXYVFNBA-QGZVFWFLSA-N 2 2 384.442 3.521 20 0 GHADLP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1cc(C)cc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC001222225702 1030019427 /nfs/dbraw/zinc/01/94/27/1030019427.db2.gz HETIFGUXYVFNBA-QGZVFWFLSA-N 2 2 384.442 3.521 20 0 GHADLP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1ccc(OC(C)C)c(Cl)c1)CC[NH2+]CC2 ZINC001222226328 1030019579 /nfs/dbraw/zinc/01/95/79/1030019579.db2.gz QTZMSZUWIUZGNI-GOSISDBHSA-N 2 2 394.943 3.634 20 0 GHADLP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccc(OC(C)C)c(Cl)c1)CC[NH2+]CC2 ZINC001222226328 1030019595 /nfs/dbraw/zinc/01/95/95/1030019595.db2.gz QTZMSZUWIUZGNI-GOSISDBHSA-N 2 2 394.943 3.634 20 0 GHADLP C[C@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001222249549 1030031520 /nfs/dbraw/zinc/03/15/20/1030031520.db2.gz OETPYTZUECHIBD-SFHVURJKSA-N 2 2 383.540 3.887 20 0 GHADLP COc1cc(Br)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c(OC)c1 ZINC001222308054 1030062783 /nfs/dbraw/zinc/06/27/83/1030062783.db2.gz GMEKFEBBGOYZDH-GOSISDBHSA-N 2 2 383.330 3.574 20 0 GHADLP COc1cc(Br)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(OC)c1 ZINC001222308054 1030062798 /nfs/dbraw/zinc/06/27/98/1030062798.db2.gz GMEKFEBBGOYZDH-GOSISDBHSA-N 2 2 383.330 3.574 20 0 GHADLP CC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001461631530 1069648793 /nfs/dbraw/zinc/64/87/93/1069648793.db2.gz JZMXWNNSJUHNDM-QFIPXVFZSA-N 2 2 386.511 3.648 20 0 GHADLP COc1cc(F)ccc1-c1noc(-c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)n1 ZINC001217116311 1030178315 /nfs/dbraw/zinc/17/83/15/1030178315.db2.gz LLAFYAYFQVAWSQ-UHFFFAOYSA-N 2 2 398.482 3.935 20 0 GHADLP COc1cc(F)ccc1-c1noc(-c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)n1 ZINC001217116311 1030178322 /nfs/dbraw/zinc/17/83/22/1030178322.db2.gz LLAFYAYFQVAWSQ-UHFFFAOYSA-N 2 2 398.482 3.935 20 0 GHADLP C[N@H+](CC(=O)c1cccc(OC2CCC3(C[NH2+]C3)CC2)c1)Cc1ccccc1 ZINC001218263551 1030860101 /nfs/dbraw/zinc/86/01/01/1030860101.db2.gz IDSASZLQRYRRFI-UHFFFAOYSA-N 2 2 378.516 3.912 20 0 GHADLP C[N@@H+](CC(=O)c1cccc(OC2CCC3(C[NH2+]C3)CC2)c1)Cc1ccccc1 ZINC001218263551 1030860132 /nfs/dbraw/zinc/86/01/32/1030860132.db2.gz IDSASZLQRYRRFI-UHFFFAOYSA-N 2 2 378.516 3.912 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccco1 ZINC001225323626 1031349635 /nfs/dbraw/zinc/34/96/35/1031349635.db2.gz ZURCVTDSYDLUAU-UXHICEINSA-N 2 2 395.507 3.600 20 0 GHADLP C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(-c2ccccc2)cc1 ZINC001225657148 1031525719 /nfs/dbraw/zinc/52/57/19/1031525719.db2.gz YCBCRJXDNXZQQW-IBGZPJMESA-N 2 2 382.552 3.597 20 0 GHADLP C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(-c2ccccc2)cc1 ZINC001225657148 1031525724 /nfs/dbraw/zinc/52/57/24/1031525724.db2.gz YCBCRJXDNXZQQW-IBGZPJMESA-N 2 2 382.552 3.597 20 0 GHADLP [NH3+]C12CCC(C(=O)NC3C[NH+](C(c4ccccc4)c4ccccc4)C3)(CC1)CC2 ZINC001219716626 1031577878 /nfs/dbraw/zinc/57/78/78/1031577878.db2.gz VQPVMSHRDHKVAY-UHFFFAOYSA-N 2 2 389.543 3.628 20 0 GHADLP Cc1cccn2cc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc12 ZINC001153503373 1031619796 /nfs/dbraw/zinc/61/97/96/1031619796.db2.gz GLSXZHCAALOAKB-VXKWHMMOSA-N 2 2 396.579 3.657 20 0 GHADLP Cc1cccn2cc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc12 ZINC001153503373 1031619806 /nfs/dbraw/zinc/61/98/06/1031619806.db2.gz GLSXZHCAALOAKB-VXKWHMMOSA-N 2 2 396.579 3.657 20 0 GHADLP Cc1cccn2cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc12 ZINC001153503371 1031620541 /nfs/dbraw/zinc/62/05/41/1031620541.db2.gz GLSXZHCAALOAKB-FCHUYYIVSA-N 2 2 396.579 3.657 20 0 GHADLP Cc1cccn2cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc12 ZINC001153503371 1031620553 /nfs/dbraw/zinc/62/05/53/1031620553.db2.gz GLSXZHCAALOAKB-FCHUYYIVSA-N 2 2 396.579 3.657 20 0 GHADLP C[N@@H+](Cc1ccccc1-c1ccc(OC(F)(F)F)cc1)C[C@H]1C[NH2+]CCO1 ZINC001205539474 1033458911 /nfs/dbraw/zinc/45/89/11/1033458911.db2.gz ZPSNVQCAKMXWKB-GOSISDBHSA-N 2 2 380.410 3.672 20 0 GHADLP C[N@H+](Cc1ccccc1-c1ccc(OC(F)(F)F)cc1)C[C@H]1C[NH2+]CCO1 ZINC001205539474 1033458928 /nfs/dbraw/zinc/45/89/28/1033458928.db2.gz ZPSNVQCAKMXWKB-GOSISDBHSA-N 2 2 380.410 3.672 20 0 GHADLP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)s1 ZINC001205767788 1033565294 /nfs/dbraw/zinc/56/52/94/1033565294.db2.gz APEIARHUURZOMU-JTQLQIEISA-N 2 2 394.413 3.583 20 0 GHADLP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)s1 ZINC001205767788 1033565305 /nfs/dbraw/zinc/56/53/05/1033565305.db2.gz APEIARHUURZOMU-JTQLQIEISA-N 2 2 394.413 3.583 20 0 GHADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCc3cnc(Cl)s3)cc2)CCC1(F)F ZINC001205768357 1033565353 /nfs/dbraw/zinc/56/53/53/1033565353.db2.gz FWFCVKQFPKTYLJ-CYBMUJFWSA-N 2 2 387.883 3.791 20 0 GHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCc3cnc(Cl)s3)cc2)CCC1(F)F ZINC001205768357 1033565359 /nfs/dbraw/zinc/56/53/59/1033565359.db2.gz FWFCVKQFPKTYLJ-CYBMUJFWSA-N 2 2 387.883 3.791 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@@H+]3CCC[C@H](C[NH3+])[C@@H]3C)c2n1 ZINC001205916953 1033634139 /nfs/dbraw/zinc/63/41/39/1033634139.db2.gz WYUKHQIFKOFFHC-QWHCGFSZSA-N 2 2 378.314 3.565 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@H+]3CCC[C@H](C[NH3+])[C@@H]3C)c2n1 ZINC001205916953 1033634146 /nfs/dbraw/zinc/63/41/46/1033634146.db2.gz WYUKHQIFKOFFHC-QWHCGFSZSA-N 2 2 378.314 3.565 20 0 GHADLP COc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2F)cc1C[NH+]1CCCC1 ZINC001206739622 1033963599 /nfs/dbraw/zinc/96/35/99/1033963599.db2.gz CBMGTOCTIHXYMK-UHFFFAOYSA-N 2 2 384.495 3.929 20 0 GHADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)c(OC(F)(F)F)c1 ZINC001206810821 1033993972 /nfs/dbraw/zinc/99/39/72/1033993972.db2.gz PVLJJQIGDJCKSV-CMPLNLGQSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(Br)c(OC(F)(F)F)c1 ZINC001206810821 1033993975 /nfs/dbraw/zinc/99/39/75/1033993975.db2.gz PVLJJQIGDJCKSV-CMPLNLGQSA-N 2 2 381.236 3.907 20 0 GHADLP C[NH+]1CCC(N(Cc2ccc(F)cc2)c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC001158455115 1034086996 /nfs/dbraw/zinc/08/69/96/1034086996.db2.gz ZQKZMVNCRAESBC-UHFFFAOYSA-N 2 2 383.515 3.707 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cccc(C(F)F)c3)CC[C@@H]21 ZINC001207128082 1034110979 /nfs/dbraw/zinc/11/09/79/1034110979.db2.gz KXYKKAOCISQQRU-AABGKKOBSA-N 2 2 389.494 3.589 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cccc(C(F)F)c3)CC[C@@H]21 ZINC001207128082 1034110996 /nfs/dbraw/zinc/11/09/96/1034110996.db2.gz KXYKKAOCISQQRU-AABGKKOBSA-N 2 2 389.494 3.589 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3cccc(C(F)F)c3)CC[C@@H]21 ZINC001207128082 1034111001 /nfs/dbraw/zinc/11/10/01/1034111001.db2.gz KXYKKAOCISQQRU-AABGKKOBSA-N 2 2 389.494 3.589 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3cccc(C(F)F)c3)CC[C@@H]21 ZINC001207128082 1034111010 /nfs/dbraw/zinc/11/10/10/1034111010.db2.gz KXYKKAOCISQQRU-AABGKKOBSA-N 2 2 389.494 3.589 20 0 GHADLP Cc1[nH+]c(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)cc2[nH]ccc21 ZINC001158590294 1034182014 /nfs/dbraw/zinc/18/20/14/1034182014.db2.gz NIGZBDONZYHUIT-FXAWDEMLSA-N 2 2 378.476 3.742 20 0 GHADLP C[N@H+](Cc1ccccc1)C1CC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001207374673 1034317022 /nfs/dbraw/zinc/31/70/22/1034317022.db2.gz QADANBLFXFZZRI-NRFANRHFSA-N 2 2 387.568 3.982 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001207374673 1034317036 /nfs/dbraw/zinc/31/70/36/1034317036.db2.gz QADANBLFXFZZRI-NRFANRHFSA-N 2 2 387.568 3.982 20 0 GHADLP C[NH+]1CCC(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2F)CC1 ZINC001207398418 1034341979 /nfs/dbraw/zinc/34/19/79/1034341979.db2.gz NYYSQTHKJIVXRD-FQEVSTJZSA-N 2 2 391.531 3.761 20 0 GHADLP C[NH+]1CCC(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2F)CC1 ZINC001207398418 1034341985 /nfs/dbraw/zinc/34/19/85/1034341985.db2.gz NYYSQTHKJIVXRD-FQEVSTJZSA-N 2 2 391.531 3.761 20 0 GHADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](CCC2CC[NH+](C)CC2)CC3)cs1 ZINC001207482838 1034392256 /nfs/dbraw/zinc/39/22/56/1034392256.db2.gz PFOHVASEDGXIRE-UHFFFAOYSA-N 3 2 376.614 3.614 20 0 GHADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](CCC2CC[NH+](C)CC2)CC3)cs1 ZINC001207482838 1034392261 /nfs/dbraw/zinc/39/22/61/1034392261.db2.gz PFOHVASEDGXIRE-UHFFFAOYSA-N 3 2 376.614 3.614 20 0 GHADLP COC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001231426106 1034574653 /nfs/dbraw/zinc/57/46/53/1034574653.db2.gz LQNUVMLZYCVCJE-LDQXTDLNSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001231426106 1034574662 /nfs/dbraw/zinc/57/46/62/1034574662.db2.gz LQNUVMLZYCVCJE-LDQXTDLNSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001231426106 1034574671 /nfs/dbraw/zinc/57/46/71/1034574671.db2.gz LQNUVMLZYCVCJE-LDQXTDLNSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001231426106 1034574681 /nfs/dbraw/zinc/57/46/81/1034574681.db2.gz LQNUVMLZYCVCJE-LDQXTDLNSA-N 2 2 399.560 3.662 20 0 GHADLP CN(C)c1ccc2cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)ccc2c1 ZINC001231440163 1034588249 /nfs/dbraw/zinc/58/82/49/1034588249.db2.gz BJHXNDZNSTWJKI-DHIUTWEWSA-N 2 2 386.543 3.865 20 0 GHADLP Cc1ccc(CCC[NH+]2CCC([N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)o1 ZINC001207947335 1034676226 /nfs/dbraw/zinc/67/62/26/1034676226.db2.gz AKQAWDRZJYQRHG-GOSISDBHSA-N 2 2 391.556 3.584 20 0 GHADLP Cc1ccc(CCC[NH+]2CCC([N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)o1 ZINC001207947335 1034676240 /nfs/dbraw/zinc/67/62/40/1034676240.db2.gz AKQAWDRZJYQRHG-GOSISDBHSA-N 2 2 391.556 3.584 20 0 GHADLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(F)c(Oc4ccccc4)c3)CC2)CC1 ZINC001231541113 1034696056 /nfs/dbraw/zinc/69/60/56/1034696056.db2.gz KWSQHUUCMWOGIZ-UHFFFAOYSA-N 2 2 383.511 3.830 20 0 GHADLP COCCCOc1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)ccc1OC ZINC001231614001 1034770005 /nfs/dbraw/zinc/77/00/05/1034770005.db2.gz FOLCJJUQWJOINI-UHFFFAOYSA-N 2 2 390.568 3.949 20 0 GHADLP COCCCOc1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)ccc1OC ZINC001231614001 1034770009 /nfs/dbraw/zinc/77/00/09/1034770009.db2.gz FOLCJJUQWJOINI-UHFFFAOYSA-N 2 2 390.568 3.949 20 0 GHADLP Cc1cc(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)cnc1F ZINC001231929452 1034995720 /nfs/dbraw/zinc/99/57/20/1034995720.db2.gz YWIIMOYXKFERAD-UHFFFAOYSA-N 2 2 380.467 3.707 20 0 GHADLP Cc1cc(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)cnc1F ZINC001231929452 1034995728 /nfs/dbraw/zinc/99/57/28/1034995728.db2.gz YWIIMOYXKFERAD-UHFFFAOYSA-N 2 2 380.467 3.707 20 0 GHADLP Cc1cc(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cnc1F ZINC001231929452 1034995729 /nfs/dbraw/zinc/99/57/29/1034995729.db2.gz YWIIMOYXKFERAD-UHFFFAOYSA-N 2 2 380.467 3.707 20 0 GHADLP Cc1cc(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cnc1F ZINC001231929452 1034995732 /nfs/dbraw/zinc/99/57/32/1034995732.db2.gz YWIIMOYXKFERAD-UHFFFAOYSA-N 2 2 380.467 3.707 20 0 GHADLP c1ccc(COCCCCC[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001208811634 1035033457 /nfs/dbraw/zinc/03/34/57/1035033457.db2.gz OLHSUCXCKLRRKH-DNQXCXABSA-N 2 2 379.548 3.832 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(C[N@@H+]3CCCC(=O)C3)CC2)cc1 ZINC001208816903 1035036770 /nfs/dbraw/zinc/03/67/70/1035036770.db2.gz IQAYQKDAANSHCR-UHFFFAOYSA-N 2 2 386.536 3.519 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(C[N@H+]3CCCC(=O)C3)CC2)cc1 ZINC001208816903 1035036780 /nfs/dbraw/zinc/03/67/80/1035036780.db2.gz IQAYQKDAANSHCR-UHFFFAOYSA-N 2 2 386.536 3.519 20 0 GHADLP COC[C@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)Cc2cn(CC3CCCC3)nc21 ZINC001232013081 1035043142 /nfs/dbraw/zinc/04/31/42/1035043142.db2.gz XIHPPUFWSLABJO-LJQANCHMSA-N 2 2 379.508 3.695 20 0 GHADLP COC[C@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)Cc2cn(CC3CCCC3)nc21 ZINC001232013081 1035043148 /nfs/dbraw/zinc/04/31/48/1035043148.db2.gz XIHPPUFWSLABJO-LJQANCHMSA-N 2 2 379.508 3.695 20 0 GHADLP c1c2ccncc2[nH]c1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001232094331 1035090976 /nfs/dbraw/zinc/09/09/76/1035090976.db2.gz BNEDAUGRLXFZHB-URXFXBBRSA-N 2 2 394.563 3.523 20 0 GHADLP c1c2ccncc2[nH]c1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001232094331 1035090987 /nfs/dbraw/zinc/09/09/87/1035090987.db2.gz BNEDAUGRLXFZHB-URXFXBBRSA-N 2 2 394.563 3.523 20 0 GHADLP c1c2ccncc2[nH]c1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001232094331 1035090993 /nfs/dbraw/zinc/09/09/93/1035090993.db2.gz BNEDAUGRLXFZHB-URXFXBBRSA-N 2 2 394.563 3.523 20 0 GHADLP c1c2ccncc2[nH]c1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001232094331 1035091000 /nfs/dbraw/zinc/09/10/00/1035091000.db2.gz BNEDAUGRLXFZHB-URXFXBBRSA-N 2 2 394.563 3.523 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208933184 1035097532 /nfs/dbraw/zinc/09/75/32/1035097532.db2.gz USAQOSAEXWNKJS-OAQYLSRUSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208933184 1035097538 /nfs/dbraw/zinc/09/75/38/1035097538.db2.gz USAQOSAEXWNKJS-OAQYLSRUSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[NH+]2C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208933184 1035097541 /nfs/dbraw/zinc/09/75/41/1035097541.db2.gz USAQOSAEXWNKJS-OAQYLSRUSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[NH+]2C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208933184 1035097548 /nfs/dbraw/zinc/09/75/48/1035097548.db2.gz USAQOSAEXWNKJS-OAQYLSRUSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208936194 1035103048 /nfs/dbraw/zinc/10/30/48/1035103048.db2.gz NRUZQVNYAAOMJU-LOSJGSFVSA-N 3 2 399.623 3.721 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208936194 1035103051 /nfs/dbraw/zinc/10/30/51/1035103051.db2.gz NRUZQVNYAAOMJU-LOSJGSFVSA-N 3 2 399.623 3.721 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208936194 1035103057 /nfs/dbraw/zinc/10/30/57/1035103057.db2.gz NRUZQVNYAAOMJU-LOSJGSFVSA-N 3 2 399.623 3.721 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208936194 1035103061 /nfs/dbraw/zinc/10/30/61/1035103061.db2.gz NRUZQVNYAAOMJU-LOSJGSFVSA-N 3 2 399.623 3.721 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@@H+]2C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208941591 1035109676 /nfs/dbraw/zinc/10/96/76/1035109676.db2.gz MPBXLMMLJJBZJH-NJDAHSKKSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@H+]2C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208941591 1035109680 /nfs/dbraw/zinc/10/96/80/1035109680.db2.gz MPBXLMMLJJBZJH-NJDAHSKKSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[NH+]2C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208941591 1035109683 /nfs/dbraw/zinc/10/96/83/1035109683.db2.gz MPBXLMMLJJBZJH-NJDAHSKKSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[NH+]2C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208941591 1035109687 /nfs/dbraw/zinc/10/96/87/1035109687.db2.gz MPBXLMMLJJBZJH-NJDAHSKKSA-N 2 2 385.552 3.592 20 0 GHADLP Cc1ccc([C@H](C(=O)N(C)C(C)(C)Cc2ccccc2)[NH+]2CCC([NH3+])CC2)cc1 ZINC001160974995 1035109858 /nfs/dbraw/zinc/10/98/58/1035109858.db2.gz LNIFIJSBSVZAPT-HSZRJFAPSA-N 2 2 393.575 3.939 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208944965 1035114936 /nfs/dbraw/zinc/11/49/36/1035114936.db2.gz QAFLCLIZIZASTM-FKBYEOEOSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208944965 1035114940 /nfs/dbraw/zinc/11/49/40/1035114940.db2.gz QAFLCLIZIZASTM-FKBYEOEOSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[NH+]2C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208944965 1035114946 /nfs/dbraw/zinc/11/49/46/1035114946.db2.gz QAFLCLIZIZASTM-FKBYEOEOSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[NH+]2C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208944965 1035114952 /nfs/dbraw/zinc/11/49/52/1035114952.db2.gz QAFLCLIZIZASTM-FKBYEOEOSA-N 2 2 399.579 3.982 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145067 1035122879 /nfs/dbraw/zinc/12/28/79/1035122879.db2.gz TVAOBDHGOYYGPG-IYBDPMFKSA-N 2 2 379.520 3.717 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145067 1035122885 /nfs/dbraw/zinc/12/28/85/1035122885.db2.gz TVAOBDHGOYYGPG-IYBDPMFKSA-N 2 2 379.520 3.717 20 0 GHADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)C[C@@H]([NH3+])Cc1ccc2ccccc2c1 ZINC001161030914 1035123017 /nfs/dbraw/zinc/12/30/17/1035123017.db2.gz LOVZZHNOCWZPBR-QHCPKHFHSA-N 2 2 398.510 3.944 20 0 GHADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](CCOC(=O)c2ccccc2)CC3)cs1 ZINC001209042717 1035155113 /nfs/dbraw/zinc/15/51/13/1035155113.db2.gz LHCHQWMGBKCOGQ-UHFFFAOYSA-N 2 2 399.560 3.739 20 0 GHADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](CCOC(=O)c2ccccc2)CC3)cs1 ZINC001209042717 1035155117 /nfs/dbraw/zinc/15/51/17/1035155117.db2.gz LHCHQWMGBKCOGQ-UHFFFAOYSA-N 2 2 399.560 3.739 20 0 GHADLP Clc1ccc(CC[N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)c(Cl)c1 ZINC001209080024 1035165263 /nfs/dbraw/zinc/16/52/63/1035165263.db2.gz ALQQONGXBLMRNP-UHFFFAOYSA-N 2 2 379.335 3.844 20 0 GHADLP Clc1ccc(CC[N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)c(Cl)c1 ZINC001209080024 1035165269 /nfs/dbraw/zinc/16/52/69/1035165269.db2.gz ALQQONGXBLMRNP-UHFFFAOYSA-N 2 2 379.335 3.844 20 0 GHADLP FC(F)(F)c1cccc(CC[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001209116186 1035179956 /nfs/dbraw/zinc/17/99/56/1035179956.db2.gz IUOKVOIIYSUOBH-ROUUACIJSA-N 2 2 375.438 3.707 20 0 GHADLP FC(F)(F)c1cccc(CC[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001209117308 1035180997 /nfs/dbraw/zinc/18/09/97/1035180997.db2.gz UHBGXFOCYIHEFS-OALUTQOASA-N 2 2 375.438 3.707 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)C[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC001209318264 1035240358 /nfs/dbraw/zinc/24/03/58/1035240358.db2.gz MTCAQQVNQBRQML-FQEVSTJZSA-N 2 2 384.524 3.567 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC001209318264 1035240360 /nfs/dbraw/zinc/24/03/60/1035240360.db2.gz MTCAQQVNQBRQML-FQEVSTJZSA-N 2 2 384.524 3.567 20 0 GHADLP C[C@@H]1CC(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)C[C@@H](C)O1 ZINC001209380411 1035263543 /nfs/dbraw/zinc/26/35/43/1035263543.db2.gz MENLUVWHGQSMEZ-QZTJIDSGSA-N 2 2 383.536 3.868 20 0 GHADLP C[C@@H]1CC(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)C[C@@H](C)O1 ZINC001209380411 1035263547 /nfs/dbraw/zinc/26/35/47/1035263547.db2.gz MENLUVWHGQSMEZ-QZTJIDSGSA-N 2 2 383.536 3.868 20 0 GHADLP C[C@@H]1CC(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)C[C@@H](C)O1 ZINC001209380411 1035263555 /nfs/dbraw/zinc/26/35/55/1035263555.db2.gz MENLUVWHGQSMEZ-QZTJIDSGSA-N 2 2 383.536 3.868 20 0 GHADLP C[C@@H]1CC(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)C[C@@H](C)O1 ZINC001209380411 1035263562 /nfs/dbraw/zinc/26/35/62/1035263562.db2.gz MENLUVWHGQSMEZ-QZTJIDSGSA-N 2 2 383.536 3.868 20 0 GHADLP CC[N@H+](Cc1c(C)ccnc1N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001461987918 1069931215 /nfs/dbraw/zinc/93/12/15/1069931215.db2.gz RPTZKAAMFSUJEU-UHFFFAOYSA-N 2 2 382.556 3.685 20 0 GHADLP CC[N@@H+](Cc1c(C)ccnc1N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001461987918 1069931222 /nfs/dbraw/zinc/93/12/22/1069931222.db2.gz RPTZKAAMFSUJEU-UHFFFAOYSA-N 2 2 382.556 3.685 20 0 GHADLP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3c(F)ccc(Cl)c3Cl)C[C@H]2CC1 ZINC001278340474 1035798985 /nfs/dbraw/zinc/79/89/85/1035798985.db2.gz MKXWHWJJQOIXAP-GASCZTMLSA-N 2 2 388.358 3.838 20 0 GHADLP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3c(F)ccc(Cl)c3Cl)C[C@H]2CC1 ZINC001278340474 1035799000 /nfs/dbraw/zinc/79/90/00/1035799000.db2.gz MKXWHWJJQOIXAP-GASCZTMLSA-N 2 2 388.358 3.838 20 0 GHADLP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1c(Cl)ccc(F)c1F)CC2 ZINC001278353369 1035958291 /nfs/dbraw/zinc/95/82/91/1035958291.db2.gz WJEDROZDEQZSEM-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1c(Cl)ccc(F)c1F)CC2 ZINC001278353369 1035958301 /nfs/dbraw/zinc/95/83/01/1035958301.db2.gz WJEDROZDEQZSEM-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP Fc1ccc(C[NH+]2CCOCC2)c(-c2cccc3c2C2(CC3)CC[NH2+]CC2)c1 ZINC001243083839 1036027095 /nfs/dbraw/zinc/02/70/95/1036027095.db2.gz GESRQPNPDYUCTR-UHFFFAOYSA-N 2 2 380.507 3.892 20 0 GHADLP Fc1ccc(C[NH+]2CCOCC2)c(-c2cccc3c2C2(C=C3)CC[NH2+]CC2)c1 ZINC001243085058 1036029370 /nfs/dbraw/zinc/02/93/70/1036029370.db2.gz OEYFLKTZNHKACY-UHFFFAOYSA-N 2 2 378.491 3.973 20 0 GHADLP c1[nH]c2ccc(-c3cc[nH+]c(N4CCOCC4)c3)cc2c1CC[NH+]1CCCC1 ZINC001243901605 1036326941 /nfs/dbraw/zinc/32/69/41/1036326941.db2.gz FDMGNAAFJMTSNR-UHFFFAOYSA-N 2 2 376.504 3.705 20 0 GHADLP COc1cc(N2CC[NH+](C)CC2)ccc1-c1c[nH+]c(N2CCCCC2)cc1C ZINC001244159283 1036403942 /nfs/dbraw/zinc/40/39/42/1036403942.db2.gz UCLAOMRXVVRKJK-UHFFFAOYSA-N 2 2 380.536 3.808 20 0 GHADLP CC(C)c1ccc(OC[C@@H](O)C[NH2+]C2(c3ccc(F)cc3)CC[NH2+]CC2)cc1 ZINC001246000510 1037121543 /nfs/dbraw/zinc/12/15/43/1037121543.db2.gz PIVCGHHOSRSMLC-NRFANRHFSA-N 2 2 386.511 3.557 20 0 GHADLP CCCC[C@@H](CC)COC[C@H](O)C[NH2+]C1(c2cccc(F)c2)CC[NH2+]CC1 ZINC001246004407 1037125856 /nfs/dbraw/zinc/12/58/56/1037125856.db2.gz FWPDQPOJIGYNJD-WIYYLYMNSA-N 2 2 380.548 3.588 20 0 GHADLP CCCC[C@@H](CC)COC[C@@H](O)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001246065749 1037177685 /nfs/dbraw/zinc/17/76/85/1037177685.db2.gz QGLGEYACOJQYDP-IRLDBZIGSA-N 2 2 388.596 3.717 20 0 GHADLP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC4(CC[NH2+]CC4)Oc4ccccc43)CC[NH2+]2)cc1 ZINC001246132244 1037207532 /nfs/dbraw/zinc/20/75/32/1037207532.db2.gz OTRRJIBKRPSNGG-BVSLBCMMSA-N 3 2 377.532 3.715 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]Cc2cc(OCC3CCC3)ncn2)CC[NH2+]1 ZINC001246383329 1037343606 /nfs/dbraw/zinc/34/36/06/1037343606.db2.gz HVQAGRSYKYLGBI-RXVVDRJESA-N 2 2 384.499 3.686 20 0 GHADLP [NH3+]C1(Cc2ccc(F)cc2)CC[NH+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246395105 1037357193 /nfs/dbraw/zinc/35/71/93/1037357193.db2.gz MNDYJRFFWHYWPR-PKTZIBPZSA-N 3 2 381.539 3.525 20 0 GHADLP C[C@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)C(O)(c2ccccc2)c2ccccc2)C[NH2+]1 ZINC001246410436 1037365510 /nfs/dbraw/zinc/36/55/10/1037365510.db2.gz JPFKOWLERUCBRT-BUUDZMLXSA-N 2 2 386.539 3.874 20 0 GHADLP FC(F)(F)c1ccc(CC2(C[NH2+][C@H]3CC4CC[NH+](CC4)C3)CC[NH2+]CC2)cc1 ZINC001246427544 1037386341 /nfs/dbraw/zinc/38/63/41/1037386341.db2.gz CTAQFGZLUROUDP-FQEVSTJZSA-N 3 2 395.513 3.692 20 0 GHADLP Fc1cccc(-c2ccc3nc(C4CC[NH+]([C@@H]5CCCC[NH2+]C5)CC4)nn3c2)c1 ZINC001246708432 1037560564 /nfs/dbraw/zinc/56/05/64/1037560564.db2.gz JYQXMWJYUHMYOX-OAQYLSRUSA-N 2 2 393.510 3.857 20 0 GHADLP C[C@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246722213 1037572060 /nfs/dbraw/zinc/57/20/60/1037572060.db2.gz QRPNOUCDWDHEMO-AZUAARDMSA-N 2 2 386.584 3.889 20 0 GHADLP C[C@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246722213 1037572074 /nfs/dbraw/zinc/57/20/74/1037572074.db2.gz QRPNOUCDWDHEMO-AZUAARDMSA-N 2 2 386.584 3.889 20 0 GHADLP CCCC[C@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)CC[NH2+]1 ZINC001246750631 1037590778 /nfs/dbraw/zinc/59/07/78/1037590778.db2.gz ZSVPGIBLQLHSQS-ZEQRLZLVSA-N 3 2 399.623 3.973 20 0 GHADLP CCCC[C@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)CC[NH2+]1 ZINC001246750631 1037590790 /nfs/dbraw/zinc/59/07/90/1037590790.db2.gz ZSVPGIBLQLHSQS-ZEQRLZLVSA-N 3 2 399.623 3.973 20 0 GHADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)CC[NH2+]1 ZINC001246770395 1037613284 /nfs/dbraw/zinc/61/32/84/1037613284.db2.gz JUDCUEUENYMIKX-ZRCGQRJVSA-N 2 2 398.551 3.547 20 0 GHADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)CC[NH2+]1 ZINC001246770395 1037613288 /nfs/dbraw/zinc/61/32/88/1037613288.db2.gz JUDCUEUENYMIKX-ZRCGQRJVSA-N 2 2 398.551 3.547 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@H+]([C@@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)CC2 ZINC001246811969 1037644576 /nfs/dbraw/zinc/64/45/76/1037644576.db2.gz FQCVEGKZPQISDB-IFMALSPDSA-N 2 2 382.479 3.772 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)CC2 ZINC001246811969 1037644592 /nfs/dbraw/zinc/64/45/92/1037644592.db2.gz FQCVEGKZPQISDB-IFMALSPDSA-N 2 2 382.479 3.772 20 0 GHADLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246849531 1037673741 /nfs/dbraw/zinc/67/37/41/1037673741.db2.gz FVFNOOGGNAXSPM-SDHOMARFSA-N 3 2 377.576 3.804 20 0 GHADLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246849531 1037673749 /nfs/dbraw/zinc/67/37/49/1037673749.db2.gz FVFNOOGGNAXSPM-SDHOMARFSA-N 3 2 377.576 3.804 20 0 GHADLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246849531 1037673754 /nfs/dbraw/zinc/67/37/54/1037673754.db2.gz FVFNOOGGNAXSPM-SDHOMARFSA-N 3 2 377.576 3.804 20 0 GHADLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246849531 1037673761 /nfs/dbraw/zinc/67/37/61/1037673761.db2.gz FVFNOOGGNAXSPM-SDHOMARFSA-N 3 2 377.576 3.804 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1)C2 ZINC001246943929 1037748710 /nfs/dbraw/zinc/74/87/10/1037748710.db2.gz UPTQRMGMIAKELR-JSXRDJHFSA-N 2 2 389.515 3.532 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1)C2 ZINC001246943929 1037748732 /nfs/dbraw/zinc/74/87/32/1037748732.db2.gz UPTQRMGMIAKELR-JSXRDJHFSA-N 2 2 389.515 3.532 20 0 GHADLP CC1(C)CC([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC(C)(C)N1O ZINC001246962515 1037785905 /nfs/dbraw/zinc/78/59/05/1037785905.db2.gz JRNIXXPBIVAGGR-UHFFFAOYSA-N 2 2 381.511 3.930 20 0 GHADLP CC1(C)CC([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC(C)(C)N1O ZINC001246962515 1037785916 /nfs/dbraw/zinc/78/59/16/1037785916.db2.gz JRNIXXPBIVAGGR-UHFFFAOYSA-N 2 2 381.511 3.930 20 0 GHADLP COC(=O)CC1CCC([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001246966780 1037789255 /nfs/dbraw/zinc/78/92/55/1037789255.db2.gz YFUMMWMQQHQFDF-UHFFFAOYSA-N 2 2 380.479 3.641 20 0 GHADLP COC(=O)CC1CCC([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001246966780 1037789270 /nfs/dbraw/zinc/78/92/70/1037789270.db2.gz YFUMMWMQQHQFDF-UHFFFAOYSA-N 2 2 380.479 3.641 20 0 GHADLP CCn1c2ccccc2nc1N1CC[NH+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC001246968983 1037792042 /nfs/dbraw/zinc/79/20/42/1037792042.db2.gz RZWMGDAQAVJGFP-RBBKRZOGSA-N 2 2 389.547 3.672 20 0 GHADLP COc1cccc(OC2CC[NH+]([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)n1 ZINC001246969057 1037792810 /nfs/dbraw/zinc/79/28/10/1037792810.db2.gz JCVGRBIICSEHLX-NQIIRXRSSA-N 2 2 399.510 3.874 20 0 GHADLP COC(=O)c1cccc2n[nH]c(C[N@H+](C)C3CC[NH+](C4CCCCC4)CC3)c21 ZINC001232442818 1038224049 /nfs/dbraw/zinc/22/40/49/1038224049.db2.gz JTXIINZGWSSXIW-UHFFFAOYSA-N 2 2 384.524 3.578 20 0 GHADLP COC(=O)c1cccc2n[nH]c(C[N@@H+](C)C3CC[NH+](C4CCCCC4)CC3)c21 ZINC001232442818 1038224064 /nfs/dbraw/zinc/22/40/64/1038224064.db2.gz JTXIINZGWSSXIW-UHFFFAOYSA-N 2 2 384.524 3.578 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3ccc(Cl)c(OC(F)(F)F)c3)no2)cc1 ZINC001247698349 1038337465 /nfs/dbraw/zinc/33/74/65/1038337465.db2.gz GGCBFYMKYHVHPR-CYBMUJFWSA-N 2 2 398.772 3.914 20 0 GHADLP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Br)c(C(F)(F)F)c1)CC2 ZINC001232663454 1038455281 /nfs/dbraw/zinc/45/52/81/1038455281.db2.gz DIKFRQCIXNLHBP-UHFFFAOYSA-N 2 2 377.248 3.996 20 0 GHADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(OC)c3NC(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001233131038 1038915417 /nfs/dbraw/zinc/91/54/17/1038915417.db2.gz XTSHGNOLODUVKP-HDICACEKSA-N 2 2 389.540 3.816 20 0 GHADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(OC)c3NC(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001233131038 1038915422 /nfs/dbraw/zinc/91/54/22/1038915422.db2.gz XTSHGNOLODUVKP-HDICACEKSA-N 2 2 389.540 3.816 20 0 GHADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(OC)c3NC(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001233131038 1038915430 /nfs/dbraw/zinc/91/54/30/1038915430.db2.gz XTSHGNOLODUVKP-HDICACEKSA-N 2 2 389.540 3.816 20 0 GHADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(OC)c3NC(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001233131038 1038915431 /nfs/dbraw/zinc/91/54/31/1038915431.db2.gz XTSHGNOLODUVKP-HDICACEKSA-N 2 2 389.540 3.816 20 0 GHADLP CN(C)c1ccc(-c2nnc(-c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)o2)cc1 ZINC001252371008 1038960529 /nfs/dbraw/zinc/96/05/29/1038960529.db2.gz UOOBRJTXESCXDP-UHFFFAOYSA-N 2 2 393.535 3.853 20 0 GHADLP CN(C)c1ccc(-c2nnc(-c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)o2)cc1 ZINC001252371008 1038960533 /nfs/dbraw/zinc/96/05/33/1038960533.db2.gz UOOBRJTXESCXDP-UHFFFAOYSA-N 2 2 393.535 3.853 20 0 GHADLP COc1cc(Br)cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001233217032 1038978664 /nfs/dbraw/zinc/97/86/64/1038978664.db2.gz KGJSIBIHNWRZLH-MRXNPFEDSA-N 2 2 377.282 3.814 20 0 GHADLP COc1cc(Br)cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001233217032 1038978666 /nfs/dbraw/zinc/97/86/66/1038978666.db2.gz KGJSIBIHNWRZLH-MRXNPFEDSA-N 2 2 377.282 3.814 20 0 GHADLP Fc1cc(F)cc(-c2n[nH]cc2C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001233405442 1039253028 /nfs/dbraw/zinc/25/30/28/1039253028.db2.gz YLFVRIZAUILQTQ-BGYRXZFFSA-N 2 2 394.469 3.919 20 0 GHADLP Fc1cc(F)cc(-c2n[nH]cc2C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001233405442 1039253034 /nfs/dbraw/zinc/25/30/34/1039253034.db2.gz YLFVRIZAUILQTQ-BGYRXZFFSA-N 2 2 394.469 3.919 20 0 GHADLP Fc1cc(F)cc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001233405442 1039253045 /nfs/dbraw/zinc/25/30/45/1039253045.db2.gz YLFVRIZAUILQTQ-BGYRXZFFSA-N 2 2 394.469 3.919 20 0 GHADLP Fc1cc(F)cc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001233405442 1039253064 /nfs/dbraw/zinc/25/30/64/1039253064.db2.gz YLFVRIZAUILQTQ-BGYRXZFFSA-N 2 2 394.469 3.919 20 0 GHADLP O[C@@]1(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948399 1039291837 /nfs/dbraw/zinc/29/18/37/1039291837.db2.gz NADBKZGRIAVHIO-HXUWFJFHSA-N 2 2 390.449 3.921 20 0 GHADLP O[C@@]1(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948399 1039291842 /nfs/dbraw/zinc/29/18/42/1039291842.db2.gz NADBKZGRIAVHIO-HXUWFJFHSA-N 2 2 390.449 3.921 20 0 GHADLP Clc1ccc2cc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)ccc2n1 ZINC001233443277 1039324433 /nfs/dbraw/zinc/32/44/33/1039324433.db2.gz YDYRNRUYOQMXAD-WOJBJXKFSA-N 2 2 378.907 3.847 20 0 GHADLP CCCC[C@@H](CC)COC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001253028322 1039362490 /nfs/dbraw/zinc/36/24/90/1039362490.db2.gz CKKLJUFUOWNYMF-XXBNENTESA-N 2 2 392.584 3.540 20 0 GHADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001253209355 1039475804 /nfs/dbraw/zinc/47/58/04/1039475804.db2.gz ASNOJEJRMGLHFG-IEBWSBKVSA-N 2 2 391.556 3.555 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC001254198174 1040047613 /nfs/dbraw/zinc/04/76/13/1040047613.db2.gz JCSLRCMLBSQYIA-KRWDZBQOSA-N 2 2 375.513 3.714 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001254301734 1040153949 /nfs/dbraw/zinc/15/39/49/1040153949.db2.gz CXCIXZKBHZQIRT-QGZVFWFLSA-N 2 2 375.513 3.714 20 0 GHADLP COc1cccc(C[NH+]2CCC3(CC[NH+](Cc4[nH]c(C)[nH+]c4C)CC3)CC2)c1 ZINC001234607771 1040165605 /nfs/dbraw/zinc/16/56/05/1040165605.db2.gz BKPXTGJKUQPZSF-UHFFFAOYSA-N 3 2 382.552 3.913 20 0 GHADLP CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254622125 1040394849 /nfs/dbraw/zinc/39/48/49/1040394849.db2.gz VBGADCYBJLHIAN-ZEQRLZLVSA-N 2 2 397.538 3.674 20 0 GHADLP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254622125 1040394862 /nfs/dbraw/zinc/39/48/62/1040394862.db2.gz VBGADCYBJLHIAN-ZEQRLZLVSA-N 2 2 397.538 3.674 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[C@@H]([N@@H+]3Cc4ccccc4C[C@H]3C[NH3+])C2)CC1 ZINC001254742815 1040503040 /nfs/dbraw/zinc/50/30/40/1040503040.db2.gz JLNSSTUPPKVSMO-RTWAWAEBSA-N 2 2 399.579 3.942 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[C@@H]([N@H+]3Cc4ccccc4C[C@H]3C[NH3+])C2)CC1 ZINC001254742815 1040503055 /nfs/dbraw/zinc/50/30/55/1040503055.db2.gz JLNSSTUPPKVSMO-RTWAWAEBSA-N 2 2 399.579 3.942 20 0 GHADLP CC[N@H+]([C@@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1CC[NH+](C)CC1 ZINC001254747783 1040507022 /nfs/dbraw/zinc/50/70/22/1040507022.db2.gz FCZGSYNHSKKVEX-LJQANCHMSA-N 2 2 379.589 3.972 20 0 GHADLP CC[N@@H+]([C@@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1CC[NH+](C)CC1 ZINC001254747783 1040507041 /nfs/dbraw/zinc/50/70/41/1040507041.db2.gz FCZGSYNHSKKVEX-LJQANCHMSA-N 2 2 379.589 3.972 20 0 GHADLP O=C1CCC2(CCC([NH2+][C@@H]3CC4CC[NH+](CC4)C3)CC2)N1Cc1cccc(F)c1 ZINC001254833980 1040582780 /nfs/dbraw/zinc/58/27/80/1040582780.db2.gz TUSGSYNYBVOALR-XERBYJISSA-N 2 2 399.554 3.703 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C1)CCC([NH2+][C@@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254839440 1040586120 /nfs/dbraw/zinc/58/61/20/1040586120.db2.gz QOHBEHKUZZDVFF-GSVIPDFHSA-N 2 2 377.573 3.630 20 0 GHADLP FC(F)(F)Oc1ccc(-c2cccc(C[N@@H+]3CCC34CC[NH2+]CC4)n2)cc1 ZINC001235102039 1040590745 /nfs/dbraw/zinc/59/07/45/1040590745.db2.gz KMCMIDHJBICVKP-UHFFFAOYSA-N 2 2 377.410 3.975 20 0 GHADLP FC(F)(F)Oc1ccc(-c2cccc(C[N@H+]3CCC34CC[NH2+]CC4)n2)cc1 ZINC001235102039 1040590763 /nfs/dbraw/zinc/59/07/63/1040590763.db2.gz KMCMIDHJBICVKP-UHFFFAOYSA-N 2 2 377.410 3.975 20 0 GHADLP Fc1cc(Br)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(F)c1Cl ZINC001235106399 1040593308 /nfs/dbraw/zinc/59/33/08/1040593308.db2.gz MSKFAZMKNGDSHN-UHFFFAOYSA-N 2 2 379.676 3.956 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@]12CCC[N@@H+]([C@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254854707 1040599432 /nfs/dbraw/zinc/59/94/32/1040599432.db2.gz HIURPAQUQJMOPO-SIKLNZKXSA-N 2 2 377.573 3.726 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@]12CCC[N@H+]([C@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254854707 1040599456 /nfs/dbraw/zinc/59/94/56/1040599456.db2.gz HIURPAQUQJMOPO-SIKLNZKXSA-N 2 2 377.573 3.726 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]21 ZINC001254879809 1040628169 /nfs/dbraw/zinc/62/81/69/1040628169.db2.gz SNBKANRONLKHMJ-QJLFFNEXSA-N 2 2 377.573 3.582 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]21 ZINC001254879809 1040628186 /nfs/dbraw/zinc/62/81/86/1040628186.db2.gz SNBKANRONLKHMJ-QJLFFNEXSA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]21 ZINC001254879809 1040628206 /nfs/dbraw/zinc/62/82/06/1040628206.db2.gz SNBKANRONLKHMJ-QJLFFNEXSA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]21 ZINC001254879809 1040628235 /nfs/dbraw/zinc/62/82/35/1040628235.db2.gz SNBKANRONLKHMJ-QJLFFNEXSA-N 2 2 377.573 3.582 20 0 GHADLP FC(F)(F)Oc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC001235183648 1040673306 /nfs/dbraw/zinc/67/33/06/1040673306.db2.gz DGURMTKUIOWURD-CVEARBPZSA-N 2 2 377.410 3.689 20 0 GHADLP FC(F)(F)Oc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC001235183648 1040673312 /nfs/dbraw/zinc/67/33/12/1040673312.db2.gz DGURMTKUIOWURD-CVEARBPZSA-N 2 2 377.410 3.689 20 0 GHADLP CCCCCC[NH+]1CCN(C2C[C@@H]3COC[C@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255004496 1040724492 /nfs/dbraw/zinc/72/44/92/1040724492.db2.gz IGBJNYOKSJYVDV-CWAQXLGLSA-N 2 2 385.596 3.616 20 0 GHADLP CCCCCC[NH+]1CCN(C2C[C@@H]3COC[C@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255004496 1040724505 /nfs/dbraw/zinc/72/45/05/1040724505.db2.gz IGBJNYOKSJYVDV-CWAQXLGLSA-N 2 2 385.596 3.616 20 0 GHADLP O[C@@H]1C[N@@H+]([C@@H]2CC[C@]3(c4ccccc4)CC[NH+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1F ZINC001255072815 1040767460 /nfs/dbraw/zinc/76/74/60/1040767460.db2.gz CAYXWVOXGWBWRE-QERLCLQCSA-N 2 2 394.534 3.766 20 0 GHADLP O[C@@H]1C[N@H+]([C@@H]2CC[C@]3(c4ccccc4)CC[NH+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1F ZINC001255072815 1040767470 /nfs/dbraw/zinc/76/74/70/1040767470.db2.gz CAYXWVOXGWBWRE-QERLCLQCSA-N 2 2 394.534 3.766 20 0 GHADLP O[C@@H]1C[NH+]([C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1F ZINC001255072815 1040767481 /nfs/dbraw/zinc/76/74/81/1040767481.db2.gz CAYXWVOXGWBWRE-QERLCLQCSA-N 2 2 394.534 3.766 20 0 GHADLP O[C@@H]1C[NH+]([C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1F ZINC001255072815 1040767488 /nfs/dbraw/zinc/76/74/88/1040767488.db2.gz CAYXWVOXGWBWRE-QERLCLQCSA-N 2 2 394.534 3.766 20 0 GHADLP CCOC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccnc1 ZINC001255129493 1040822577 /nfs/dbraw/zinc/82/25/77/1040822577.db2.gz ZSBDGWFRICVJIN-KAOXLYBCSA-N 2 2 393.531 3.861 20 0 GHADLP CCOC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccnc1 ZINC001255129493 1040822585 /nfs/dbraw/zinc/82/25/85/1040822585.db2.gz ZSBDGWFRICVJIN-KAOXLYBCSA-N 2 2 393.531 3.861 20 0 GHADLP Cc1cnc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)s1 ZINC001255146027 1040861542 /nfs/dbraw/zinc/86/15/42/1040861542.db2.gz ZFNXCFAUESVPDJ-WKCHPHFGSA-N 2 2 382.577 3.769 20 0 GHADLP Cc1cnc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)s1 ZINC001255146027 1040861552 /nfs/dbraw/zinc/86/15/52/1040861552.db2.gz ZFNXCFAUESVPDJ-WKCHPHFGSA-N 2 2 382.577 3.769 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235377197 1040889805 /nfs/dbraw/zinc/88/98/05/1040889805.db2.gz CQXAFYWOUCBRMS-ARMFNRFLSA-N 3 2 389.587 3.978 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235377197 1040889816 /nfs/dbraw/zinc/88/98/16/1040889816.db2.gz CQXAFYWOUCBRMS-ARMFNRFLSA-N 3 2 389.587 3.978 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235377197 1040889830 /nfs/dbraw/zinc/88/98/30/1040889830.db2.gz CQXAFYWOUCBRMS-ARMFNRFLSA-N 3 2 389.587 3.978 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235377197 1040889842 /nfs/dbraw/zinc/88/98/42/1040889842.db2.gz CQXAFYWOUCBRMS-ARMFNRFLSA-N 3 2 389.587 3.978 20 0 GHADLP COc1ncc(C2CC2)cc1C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235382053 1040903344 /nfs/dbraw/zinc/90/33/44/1040903344.db2.gz MHPWLNXFDYTDEA-UPVQGACJSA-N 2 2 377.532 3.721 20 0 GHADLP COc1ncc(C2CC2)cc1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235382053 1040903357 /nfs/dbraw/zinc/90/33/57/1040903357.db2.gz MHPWLNXFDYTDEA-UPVQGACJSA-N 2 2 377.532 3.721 20 0 GHADLP CC(C)n1cnc2c1cc(C1CC[NH+](C[C@H](C)[NH3+])CC1)nc2-c1cccnc1 ZINC001235440142 1040939865 /nfs/dbraw/zinc/93/98/65/1040939865.db2.gz CTFYMIQSUOJPIC-INIZCTEOSA-N 2 2 378.524 3.601 20 0 GHADLP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ncc(Cl)cc3Cl)(C1)CCC2 ZINC001278858738 1040947993 /nfs/dbraw/zinc/94/79/93/1040947993.db2.gz BGPFHJMNRCRDFJ-MSOLQXFVSA-N 2 2 388.339 3.534 20 0 GHADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC001462510575 1070313815 /nfs/dbraw/zinc/31/38/15/1070313815.db2.gz UGVFMLBHHXFEGH-PMACEKPBSA-N 2 2 375.557 3.586 20 0 GHADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC001462510575 1070313833 /nfs/dbraw/zinc/31/38/33/1070313833.db2.gz UGVFMLBHHXFEGH-PMACEKPBSA-N 2 2 375.557 3.586 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001255378124 1040970713 /nfs/dbraw/zinc/97/07/13/1040970713.db2.gz MRYGUEBUKVGZPI-WIYYLYMNSA-N 2 2 376.516 3.844 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001255378124 1040970716 /nfs/dbraw/zinc/97/07/16/1040970716.db2.gz MRYGUEBUKVGZPI-WIYYLYMNSA-N 2 2 376.516 3.844 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3[C@@H]2CCC[NH+](Cc3ccccc3)CC2)cc1 ZINC001255406420 1040993771 /nfs/dbraw/zinc/99/37/71/1040993771.db2.gz SBTGTCYBPPQBMU-DSITVLBTSA-N 2 2 375.560 4.000 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3[C@@H]2CCC[NH+](Cc3ccccc3)CC2)cc1 ZINC001255406420 1040993772 /nfs/dbraw/zinc/99/37/72/1040993772.db2.gz SBTGTCYBPPQBMU-DSITVLBTSA-N 2 2 375.560 4.000 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255406420 1040993774 /nfs/dbraw/zinc/99/37/74/1040993774.db2.gz SBTGTCYBPPQBMU-DSITVLBTSA-N 2 2 375.560 4.000 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255406420 1040993775 /nfs/dbraw/zinc/99/37/75/1040993775.db2.gz SBTGTCYBPPQBMU-DSITVLBTSA-N 2 2 375.560 4.000 20 0 GHADLP CC(C)(C)Oc1cccc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)n1 ZINC001235646670 1041087169 /nfs/dbraw/zinc/08/71/69/1041087169.db2.gz RZNVFJGQQZVXKX-UHFFFAOYSA-N 2 2 397.567 3.894 20 0 GHADLP CC(C)(C)Oc1cccc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)n1 ZINC001235646670 1041087196 /nfs/dbraw/zinc/08/71/96/1041087196.db2.gz RZNVFJGQQZVXKX-UHFFFAOYSA-N 2 2 397.567 3.894 20 0 GHADLP FC(F)(F)C1CCC(N(c2cccc[nH+]2)[C@H]2COC3(C2)CC[NH2+]CC3)CC1 ZINC001255517211 1041105394 /nfs/dbraw/zinc/10/53/94/1041105394.db2.gz XMVODGHQZSKGFQ-OFLPRAFFSA-N 2 2 383.458 3.920 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCO1 ZINC001255528143 1041112834 /nfs/dbraw/zinc/11/28/34/1041112834.db2.gz HKKPNDRXABKFLN-XZOQPEGZSA-N 2 2 382.548 3.597 20 0 GHADLP CC1(C)C[C@@H]([N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542476 1041119705 /nfs/dbraw/zinc/11/97/05/1041119705.db2.gz HMPNLNSSFXYCRK-ICSRJNTNSA-N 2 2 379.495 3.572 20 0 GHADLP CC1(C)C[C@@H]([N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542476 1041119714 /nfs/dbraw/zinc/11/97/14/1041119714.db2.gz HMPNLNSSFXYCRK-ICSRJNTNSA-N 2 2 379.495 3.572 20 0 GHADLP CC1(C)C[C@@H]([NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542476 1041119724 /nfs/dbraw/zinc/11/97/24/1041119724.db2.gz HMPNLNSSFXYCRK-ICSRJNTNSA-N 2 2 379.495 3.572 20 0 GHADLP CC1(C)C[C@@H]([NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542476 1041119739 /nfs/dbraw/zinc/11/97/39/1041119739.db2.gz HMPNLNSSFXYCRK-ICSRJNTNSA-N 2 2 379.495 3.572 20 0 GHADLP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC001235672392 1041129166 /nfs/dbraw/zinc/12/91/66/1041129166.db2.gz CFRFHESUVKVZHM-UHFFFAOYSA-N 3 2 398.963 3.918 20 0 GHADLP C[NH2+]CC1CC[NH+](Cc2c(Br)cc(F)cc2Br)CC1 ZINC001235677412 1041137486 /nfs/dbraw/zinc/13/74/86/1041137486.db2.gz CQOBSOJXZBZIBV-UHFFFAOYSA-N 2 2 394.126 3.782 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)cn2)cc1 ZINC001235713628 1041196299 /nfs/dbraw/zinc/19/62/99/1041196299.db2.gz MSWKLFFYSLBYCP-UHFFFAOYSA-N 2 2 377.410 3.833 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@H+]3CCCC4(C[NH2+]C4)C3)cn2)cc1 ZINC001235713628 1041196323 /nfs/dbraw/zinc/19/63/23/1041196323.db2.gz MSWKLFFYSLBYCP-UHFFFAOYSA-N 2 2 377.410 3.833 20 0 GHADLP C[C@@H](CSc1ccc(F)cc1)[NH2+]C1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001255728426 1041251581 /nfs/dbraw/zinc/25/15/81/1041251581.db2.gz TUSHUABZNRHPSJ-GPWPYBQESA-N 2 2 382.545 3.878 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)CSc1ccc(F)cc1)C2 ZINC001255741854 1041262106 /nfs/dbraw/zinc/26/21/06/1041262106.db2.gz PTFFRIDCVKHVSV-INIZCTEOSA-N 2 2 376.545 3.859 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)CSc1ccc(F)cc1)C2 ZINC001255741854 1041262122 /nfs/dbraw/zinc/26/21/22/1041262122.db2.gz PTFFRIDCVKHVSV-INIZCTEOSA-N 2 2 376.545 3.859 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H](C)CSc1ccc(F)cc1)C2 ZINC001255741854 1041262135 /nfs/dbraw/zinc/26/21/35/1041262135.db2.gz PTFFRIDCVKHVSV-INIZCTEOSA-N 2 2 376.545 3.859 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H](C)CSc1ccc(F)cc1)C2 ZINC001255741854 1041262148 /nfs/dbraw/zinc/26/21/48/1041262148.db2.gz PTFFRIDCVKHVSV-INIZCTEOSA-N 2 2 376.545 3.859 20 0 GHADLP CC1([NH+]2CCN(Cc3ccccc3Oc3ccc(F)cc3)CC2)CC[NH2+]CC1 ZINC001235815192 1041328843 /nfs/dbraw/zinc/32/88/43/1041328843.db2.gz JVSKWEZRSGYRQN-UHFFFAOYSA-N 2 2 383.511 3.878 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@@H](C)Cc3ccc(F)cc3)CC2)cc1 ZINC001255864615 1041356369 /nfs/dbraw/zinc/35/63/69/1041356369.db2.gz IJVULDXUBZGJKM-KRWDZBQOSA-N 2 2 384.495 3.798 20 0 GHADLP CC(C)N(C(=O)c1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1)C(C)C ZINC001235917955 1041429630 /nfs/dbraw/zinc/42/96/30/1041429630.db2.gz CWOVMHDBMHCCST-UHFFFAOYSA-N 2 2 376.504 3.947 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 ZINC001255961390 1041439730 /nfs/dbraw/zinc/43/97/30/1041439730.db2.gz CZWZOPQUWRMSIE-QNWVGRARSA-N 2 2 389.584 3.590 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 ZINC001255961390 1041439736 /nfs/dbraw/zinc/43/97/36/1041439736.db2.gz CZWZOPQUWRMSIE-QNWVGRARSA-N 2 2 389.584 3.590 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001255961332 1041439879 /nfs/dbraw/zinc/43/98/79/1041439879.db2.gz CJYUNKRSADNQEB-CVDCTZTESA-N 2 2 389.559 3.761 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001255961332 1041439885 /nfs/dbraw/zinc/43/98/85/1041439885.db2.gz CJYUNKRSADNQEB-CVDCTZTESA-N 2 2 389.559 3.761 20 0 GHADLP FC(F)Oc1ccc(Br)cc1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236004852 1041496867 /nfs/dbraw/zinc/49/68/67/1041496867.db2.gz HWECIJRUPVDOKG-UHFFFAOYSA-N 2 2 375.257 3.626 20 0 GHADLP Brc1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c(Br)c1 ZINC001236010635 1041501430 /nfs/dbraw/zinc/50/14/30/1041501430.db2.gz VWAMXTMHSQXARI-UHFFFAOYSA-N 2 2 388.147 3.787 20 0 GHADLP Fc1ccc(C[NH+](Cc2cnc3n2CC[NH2+]CC3)Cc2ccc(F)cc2)cc1 ZINC001236042732 1041513787 /nfs/dbraw/zinc/51/37/87/1041513787.db2.gz SWHUNJKDHASMOF-UHFFFAOYSA-N 2 2 382.458 3.509 20 0 GHADLP CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@H+](C)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236089527 1041528105 /nfs/dbraw/zinc/52/81/05/1041528105.db2.gz AOMRECIDLPFFDU-QRQLOZEOSA-N 2 2 382.495 3.567 20 0 GHADLP CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@@H+](C)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236089527 1041528121 /nfs/dbraw/zinc/52/81/21/1041528121.db2.gz AOMRECIDLPFFDU-QRQLOZEOSA-N 2 2 382.495 3.567 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236274301 1041650035 /nfs/dbraw/zinc/65/00/35/1041650035.db2.gz NDJNXDIPFYYSBW-GOTSBHOMSA-N 2 2 378.516 3.991 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236274301 1041650049 /nfs/dbraw/zinc/65/00/49/1041650049.db2.gz NDJNXDIPFYYSBW-GOTSBHOMSA-N 2 2 378.516 3.991 20 0 GHADLP CCC[N@H+](Cc1ccc(Br)c2ccc(OC)nc12)[C@H]1CC[NH2+]C1 ZINC001236323552 1041671325 /nfs/dbraw/zinc/67/13/25/1041671325.db2.gz GLARLSRMBLWYKL-AWEZNQCLSA-N 2 2 378.314 3.580 20 0 GHADLP CCC[N@@H+](Cc1ccc(Br)c2ccc(OC)nc12)[C@H]1CC[NH2+]C1 ZINC001236323552 1041671327 /nfs/dbraw/zinc/67/13/27/1041671327.db2.gz GLARLSRMBLWYKL-AWEZNQCLSA-N 2 2 378.314 3.580 20 0 GHADLP COC(=O)c1cc(C[N@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)ccc1O ZINC001236453267 1041718481 /nfs/dbraw/zinc/71/84/81/1041718481.db2.gz ABWWQGYMQYWMPZ-UHFFFAOYSA-N 2 2 388.895 3.586 20 0 GHADLP COC(=O)c1cc(C[N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)ccc1O ZINC001236453267 1041718487 /nfs/dbraw/zinc/71/84/87/1041718487.db2.gz ABWWQGYMQYWMPZ-UHFFFAOYSA-N 2 2 388.895 3.586 20 0 GHADLP COC(=O)c1cccc(C[N@H+](Cc2cc(F)cc(F)c2C)C2CC[NH2+]CC2)c1 ZINC001236464505 1041726475 /nfs/dbraw/zinc/72/64/75/1041726475.db2.gz HEEKAMATNRAOLJ-UHFFFAOYSA-N 2 2 388.458 3.814 20 0 GHADLP COC(=O)c1cccc(C[N@@H+](Cc2cc(F)cc(F)c2C)C2CC[NH2+]CC2)c1 ZINC001236464505 1041726483 /nfs/dbraw/zinc/72/64/83/1041726483.db2.gz HEEKAMATNRAOLJ-UHFFFAOYSA-N 2 2 388.458 3.814 20 0 GHADLP COC(=O)Cc1cccc(C[N@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)c1 ZINC001236496708 1041739863 /nfs/dbraw/zinc/73/98/63/1041739863.db2.gz OQEHXOZQMJFUEF-UHFFFAOYSA-N 2 2 384.495 3.604 20 0 GHADLP COC(=O)Cc1cccc(C[N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)c1 ZINC001236496708 1041739869 /nfs/dbraw/zinc/73/98/69/1041739869.db2.gz OQEHXOZQMJFUEF-UHFFFAOYSA-N 2 2 384.495 3.604 20 0 GHADLP COc1cc(C[N@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)cc(F)c1O ZINC001236508870 1041746024 /nfs/dbraw/zinc/74/60/24/1041746024.db2.gz FIWJNPMWIQHJEB-UHFFFAOYSA-N 2 2 376.447 3.742 20 0 GHADLP COc1cc(C[N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)cc(F)c1O ZINC001236508870 1041746029 /nfs/dbraw/zinc/74/60/29/1041746029.db2.gz FIWJNPMWIQHJEB-UHFFFAOYSA-N 2 2 376.447 3.742 20 0 GHADLP Brc1cc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)ccc1-n1cc[nH+]c1 ZINC001236636671 1041796648 /nfs/dbraw/zinc/79/66/48/1041796648.db2.gz HMMXTLRJSNRDJB-UHFFFAOYSA-N 3 2 389.341 3.741 20 0 GHADLP Brc1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)ccc1-n1cc[nH+]c1 ZINC001236636671 1041796653 /nfs/dbraw/zinc/79/66/53/1041796653.db2.gz HMMXTLRJSNRDJB-UHFFFAOYSA-N 3 2 389.341 3.741 20 0 GHADLP COC(=O)c1cc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)ccc1Br ZINC001236664471 1041812423 /nfs/dbraw/zinc/81/24/23/1041812423.db2.gz TYQXCDBJYGQKEV-INIZCTEOSA-N 2 2 395.341 3.732 20 0 GHADLP COC(=O)c1cc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)ccc1Br ZINC001236664471 1041812427 /nfs/dbraw/zinc/81/24/27/1041812427.db2.gz TYQXCDBJYGQKEV-INIZCTEOSA-N 2 2 395.341 3.732 20 0 GHADLP O=C([C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1)N1CCCCC1 ZINC001236905919 1041950262 /nfs/dbraw/zinc/95/02/62/1041950262.db2.gz RIMOVDZULPTGDD-GOSISDBHSA-N 2 2 386.927 3.750 20 0 GHADLP O=C([C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1)N1CCCCC1 ZINC001236905919 1041950265 /nfs/dbraw/zinc/95/02/65/1041950265.db2.gz RIMOVDZULPTGDD-GOSISDBHSA-N 2 2 386.927 3.750 20 0 GHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001236914710 1041955659 /nfs/dbraw/zinc/95/56/59/1041955659.db2.gz RJGXAECIQYCOJZ-MRXNPFEDSA-N 2 2 390.915 3.967 20 0 GHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001236914710 1041955663 /nfs/dbraw/zinc/95/56/63/1041955663.db2.gz RJGXAECIQYCOJZ-MRXNPFEDSA-N 2 2 390.915 3.967 20 0 GHADLP CCN(CC)C(=O)NC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236919327 1041958958 /nfs/dbraw/zinc/95/89/58/1041958958.db2.gz NMQIMMSRZJYPJP-UHFFFAOYSA-N 2 2 389.931 3.542 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001236921258 1041960328 /nfs/dbraw/zinc/96/03/28/1041960328.db2.gz GUDZIXPDYMTKFZ-CTNGQTDRSA-N 2 2 387.911 3.686 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001236921258 1041960334 /nfs/dbraw/zinc/96/03/34/1041960334.db2.gz GUDZIXPDYMTKFZ-CTNGQTDRSA-N 2 2 387.911 3.686 20 0 GHADLP FC(F)(F)[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001237014579 1041990950 /nfs/dbraw/zinc/99/09/50/1041990950.db2.gz FJZSAQUWUXRDDA-NRFANRHFSA-N 2 2 389.465 3.581 20 0 GHADLP FC(F)(F)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001237014579 1041990953 /nfs/dbraw/zinc/99/09/53/1041990953.db2.gz FJZSAQUWUXRDDA-NRFANRHFSA-N 2 2 389.465 3.581 20 0 GHADLP Fc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1N1CCCC1 ZINC001237097179 1042034048 /nfs/dbraw/zinc/03/40/48/1042034048.db2.gz XPHYGFNHPVLFJO-SZPZYZBQSA-N 2 2 379.523 3.990 20 0 GHADLP Fc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1N1CCCC1 ZINC001237097179 1042034053 /nfs/dbraw/zinc/03/40/53/1042034053.db2.gz XPHYGFNHPVLFJO-SZPZYZBQSA-N 2 2 379.523 3.990 20 0 GHADLP Fc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1N1CCCC1 ZINC001237097179 1042034064 /nfs/dbraw/zinc/03/40/64/1042034064.db2.gz XPHYGFNHPVLFJO-SZPZYZBQSA-N 2 2 379.523 3.990 20 0 GHADLP Fc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1N1CCCC1 ZINC001237097179 1042034065 /nfs/dbraw/zinc/03/40/65/1042034065.db2.gz XPHYGFNHPVLFJO-SZPZYZBQSA-N 2 2 379.523 3.990 20 0 GHADLP FC(F)(F)c1cccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)C[NH2+]CCO4)s2)c1 ZINC001237142092 1042061379 /nfs/dbraw/zinc/06/13/79/1042061379.db2.gz LYZOVCWTTBHQMJ-GOSISDBHSA-N 2 2 382.451 3.998 20 0 GHADLP FC(F)(F)c1cccc(-c2ccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CCO4)s2)c1 ZINC001237142092 1042061381 /nfs/dbraw/zinc/06/13/81/1042061381.db2.gz LYZOVCWTTBHQMJ-GOSISDBHSA-N 2 2 382.451 3.998 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3c(C)cc(F)cc3C)CC2)C1 ZINC001237318843 1042145033 /nfs/dbraw/zinc/14/50/33/1042145033.db2.gz VOCRMOPUHMPNRC-GOSISDBHSA-N 2 2 376.516 3.682 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c(C)cc(F)cc3C)CC2)C1 ZINC001237318843 1042145037 /nfs/dbraw/zinc/14/50/37/1042145037.db2.gz VOCRMOPUHMPNRC-GOSISDBHSA-N 2 2 376.516 3.682 20 0 GHADLP CCOC(=O)c1csc(C[NH+]2CCC(CC3CC[NH+](CC)CC3)CC2)n1 ZINC001237351371 1042161631 /nfs/dbraw/zinc/16/16/31/1042161631.db2.gz XUEGRJGKBLGABZ-UHFFFAOYSA-N 2 2 379.570 3.654 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(F)c1OC ZINC001462593466 1070397201 /nfs/dbraw/zinc/39/72/01/1070397201.db2.gz USXKCWOZIQWMNO-QUCCMNQESA-N 2 2 384.495 3.797 20 0 GHADLP COc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(F)c1OC ZINC001462593466 1070397226 /nfs/dbraw/zinc/39/72/26/1070397226.db2.gz USXKCWOZIQWMNO-QUCCMNQESA-N 2 2 384.495 3.797 20 0 GHADLP COc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(F)c1OC ZINC001462593466 1070397248 /nfs/dbraw/zinc/39/72/48/1070397248.db2.gz USXKCWOZIQWMNO-QUCCMNQESA-N 2 2 384.495 3.797 20 0 GHADLP COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(F)c1OC ZINC001462593466 1070397265 /nfs/dbraw/zinc/39/72/65/1070397265.db2.gz USXKCWOZIQWMNO-QUCCMNQESA-N 2 2 384.495 3.797 20 0 GHADLP COC(=O)c1ccc(C[N@H+](CC[C@H]2COC(C)(C)[NH2+]2)Cc2ccccc2)cc1 ZINC001237408918 1042195318 /nfs/dbraw/zinc/19/53/18/1042195318.db2.gz DPHYLPUAIRGOGO-NRFANRHFSA-N 2 2 382.504 3.590 20 0 GHADLP COC(=O)c1ccc(C[N@@H+](CC[C@H]2COC(C)(C)[NH2+]2)Cc2ccccc2)cc1 ZINC001237408918 1042195319 /nfs/dbraw/zinc/19/53/19/1042195319.db2.gz DPHYLPUAIRGOGO-NRFANRHFSA-N 2 2 382.504 3.590 20 0 GHADLP C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001237461383 1042217868 /nfs/dbraw/zinc/21/78/68/1042217868.db2.gz FUENYQDXASMDGQ-LPHOPBHVSA-N 2 2 380.374 3.660 20 0 GHADLP CCC[NH+](CCC)CCN1CC[NH+](Cc2ccc3ncnc(Cl)c3c2)CC1 ZINC001237577643 1042269923 /nfs/dbraw/zinc/26/99/23/1042269923.db2.gz IJDOLLZYMRPYKF-UHFFFAOYSA-N 2 2 389.975 3.523 20 0 GHADLP CCOc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c(F)c1 ZINC001237629000 1042295159 /nfs/dbraw/zinc/29/51/59/1042295159.db2.gz KQZZQLMGUDENGS-UHFFFAOYSA-N 2 2 388.483 3.684 20 0 GHADLP CCOc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c(F)c1 ZINC001237629000 1042295161 /nfs/dbraw/zinc/29/51/61/1042295161.db2.gz KQZZQLMGUDENGS-UHFFFAOYSA-N 2 2 388.483 3.684 20 0 GHADLP CC(C)C1=[NH+]CCc2ccc(CN3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)cc21 ZINC001237880498 1042407527 /nfs/dbraw/zinc/40/75/27/1042407527.db2.gz XCZDVAMXVWHHRM-HXUWFJFHSA-N 2 2 375.507 3.993 20 0 GHADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc(N5CCCCC5)n4)C[C@@H]3C2)cc1 ZINC001238002735 1042453854 /nfs/dbraw/zinc/45/38/54/1042453854.db2.gz DIKXPCOSEHFCDS-GOTSBHOMSA-N 2 2 390.575 3.944 20 0 GHADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc(N5CCCCC5)n4)C[C@H]3C2)c1 ZINC001238002275 1042453860 /nfs/dbraw/zinc/45/38/60/1042453860.db2.gz CVRIGXHXSYVCAU-OALUTQOASA-N 2 2 382.577 3.697 20 0 GHADLP Cc1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cnc1C1CC1 ZINC001238623104 1042662505 /nfs/dbraw/zinc/66/25/05/1042662505.db2.gz VRZFORBVGLRXLS-UHFFFAOYSA-N 2 2 379.552 3.508 20 0 GHADLP COc1ccccc1C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256531441 1043465023 /nfs/dbraw/zinc/46/50/23/1043465023.db2.gz HURATLCSJKZPMJ-ZTCOLXNVSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccccc1C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256531441 1043465040 /nfs/dbraw/zinc/46/50/40/1043465040.db2.gz HURATLCSJKZPMJ-ZTCOLXNVSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccccc1C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256531441 1043465052 /nfs/dbraw/zinc/46/50/52/1043465052.db2.gz HURATLCSJKZPMJ-ZTCOLXNVSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccccc1C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256531441 1043465063 /nfs/dbraw/zinc/46/50/63/1043465063.db2.gz HURATLCSJKZPMJ-ZTCOLXNVSA-N 2 2 393.575 3.912 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)CCN(C)C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256536422 1043479580 /nfs/dbraw/zinc/47/95/80/1043479580.db2.gz GYCYOCROOPMPED-AZUAARDMSA-N 2 2 375.557 3.838 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)CCN(C)C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256536422 1043479590 /nfs/dbraw/zinc/47/95/90/1043479590.db2.gz GYCYOCROOPMPED-AZUAARDMSA-N 2 2 375.557 3.838 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)CCN(C)C(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001256536422 1043479606 /nfs/dbraw/zinc/47/96/06/1043479606.db2.gz GYCYOCROOPMPED-AZUAARDMSA-N 2 2 375.557 3.838 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)CCN(C)C(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001256536422 1043479627 /nfs/dbraw/zinc/47/96/27/1043479627.db2.gz GYCYOCROOPMPED-AZUAARDMSA-N 2 2 375.557 3.838 20 0 GHADLP Cc1nccnc1O[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556785 1043528299 /nfs/dbraw/zinc/52/82/99/1043528299.db2.gz IUNZHADGAPGXJW-VLCRHTCISA-N 2 2 380.536 3.681 20 0 GHADLP Cc1nccnc1O[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556785 1043528304 /nfs/dbraw/zinc/52/83/04/1043528304.db2.gz IUNZHADGAPGXJW-VLCRHTCISA-N 2 2 380.536 3.681 20 0 GHADLP Cc1nccnc1O[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556785 1043528309 /nfs/dbraw/zinc/52/83/09/1043528309.db2.gz IUNZHADGAPGXJW-VLCRHTCISA-N 2 2 380.536 3.681 20 0 GHADLP Cc1nccnc1O[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556785 1043528316 /nfs/dbraw/zinc/52/83/16/1043528316.db2.gz IUNZHADGAPGXJW-VLCRHTCISA-N 2 2 380.536 3.681 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(F)c(OC3CCOCC3)c(F)c2)CC1 ZINC001256565996 1043540030 /nfs/dbraw/zinc/54/00/30/1043540030.db2.gz OTFHUZQXGIWTAL-UHFFFAOYSA-N 2 2 382.495 3.875 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C3CC[NH+](C(C)(C)C)CC3)C[C@H]21 ZINC001256571040 1043544793 /nfs/dbraw/zinc/54/47/93/1043544793.db2.gz AVOJVQJRKSTGTH-UEVCKROQSA-N 3 2 384.612 3.877 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C3CC[NH+](C(C)(C)C)CC3)C[C@H]21 ZINC001256571040 1043544804 /nfs/dbraw/zinc/54/48/04/1043544804.db2.gz AVOJVQJRKSTGTH-UEVCKROQSA-N 3 2 384.612 3.877 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@H]21 ZINC001256571040 1043544820 /nfs/dbraw/zinc/54/48/20/1043544820.db2.gz AVOJVQJRKSTGTH-UEVCKROQSA-N 3 2 384.612 3.877 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@H]21 ZINC001256571040 1043544825 /nfs/dbraw/zinc/54/48/25/1043544825.db2.gz AVOJVQJRKSTGTH-UEVCKROQSA-N 3 2 384.612 3.877 20 0 GHADLP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@H]21 ZINC001256571040 1043544832 /nfs/dbraw/zinc/54/48/32/1043544832.db2.gz AVOJVQJRKSTGTH-UEVCKROQSA-N 2 2 384.612 3.877 20 0 GHADLP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@H]21 ZINC001256571040 1043544839 /nfs/dbraw/zinc/54/48/39/1043544839.db2.gz AVOJVQJRKSTGTH-UEVCKROQSA-N 2 2 384.612 3.877 20 0 GHADLP CCOC(=O)C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC001256600863 1043564029 /nfs/dbraw/zinc/56/40/29/1043564029.db2.gz IJZOUZLNGOLPAL-JOCHJYFZSA-N 2 2 382.504 3.641 20 0 GHADLP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604196 1043567172 /nfs/dbraw/zinc/56/71/72/1043567172.db2.gz MRQQWLMZNYPZBV-IBGZPJMESA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604196 1043567176 /nfs/dbraw/zinc/56/71/76/1043567176.db2.gz MRQQWLMZNYPZBV-IBGZPJMESA-N 2 2 387.568 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C[NH+](C3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001256606014 1043571042 /nfs/dbraw/zinc/57/10/42/1043571042.db2.gz OVOBEMZTNOTXTF-UHFFFAOYSA-N 2 2 385.552 3.594 20 0 GHADLP FC(F)(F)c1nc([C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)no1 ZINC001256610381 1043574489 /nfs/dbraw/zinc/57/44/89/1043574489.db2.gz DALXUZAMBYWPKW-MRXNPFEDSA-N 2 2 394.441 3.932 20 0 GHADLP FC(F)(F)c1nc([C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)no1 ZINC001256610381 1043574499 /nfs/dbraw/zinc/57/44/99/1043574499.db2.gz DALXUZAMBYWPKW-MRXNPFEDSA-N 2 2 394.441 3.932 20 0 GHADLP COc1cccc(O[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001256612381 1043576125 /nfs/dbraw/zinc/57/61/25/1043576125.db2.gz JGTUXCXMLGCXJB-OAQYLSRUSA-N 2 2 381.520 3.598 20 0 GHADLP COc1cccc(O[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001256612381 1043576131 /nfs/dbraw/zinc/57/61/31/1043576131.db2.gz JGTUXCXMLGCXJB-OAQYLSRUSA-N 2 2 381.520 3.598 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)C[C@H](C)O1 ZINC001257079070 1043833682 /nfs/dbraw/zinc/83/36/82/1043833682.db2.gz WXKQHAOXLFCNSX-WNXIRNOKSA-N 2 2 382.548 3.595 20 0 GHADLP Cc1[nH+]cn([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)c1CSCC[NH3+] ZINC001257173186 1043916623 /nfs/dbraw/zinc/91/66/23/1043916623.db2.gz DNIGTXOJFKRNQK-IAGOWNOFSA-N 2 2 396.601 3.980 20 0 GHADLP CC(C)[C@H]1C[C@H]([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257187933 1043926694 /nfs/dbraw/zinc/92/66/94/1043926694.db2.gz SLPSWKFMOXETRK-QHAWAJNXSA-N 2 2 387.568 3.796 20 0 GHADLP CC(C)[C@H]1C[C@H]([N@H+]2Cc3ccccc3C[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257187933 1043926695 /nfs/dbraw/zinc/92/66/95/1043926695.db2.gz SLPSWKFMOXETRK-QHAWAJNXSA-N 2 2 387.568 3.796 20 0 GHADLP Cc1[nH+]c2c(n1[C@H]1CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC[NH2+]CC2 ZINC001257809208 1044190511 /nfs/dbraw/zinc/19/05/11/1044190511.db2.gz HSYHPJTXIRXARL-HTAPYJJXSA-N 2 2 388.556 3.622 20 0 GHADLP COc1ccccc1CC1([NH3+])CC[NH+]([C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257956616 1044273295 /nfs/dbraw/zinc/27/32/95/1044273295.db2.gz QOKPRROXKFZRCB-LJQANCHMSA-N 2 2 386.923 3.688 20 0 GHADLP COc1cc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc2ccccc21 ZINC001258011292 1044336172 /nfs/dbraw/zinc/33/61/72/1044336172.db2.gz JMWLAXBGKVSKQU-KRWDZBQOSA-N 2 2 383.536 3.885 20 0 GHADLP CC(C)C[NH+]1CCC([NH+]2CCN(c3cccc(Br)c3)CC2)CC1 ZINC001258017122 1044343593 /nfs/dbraw/zinc/34/35/93/1044343593.db2.gz RWZBQYSQOZFZHW-UHFFFAOYSA-N 2 2 380.374 3.692 20 0 GHADLP COC(C[N@H+](Cc1ccccc1)C1CC[NH+](CCc2ccccc2)CC1)OC ZINC001258140695 1044425350 /nfs/dbraw/zinc/42/53/50/1044425350.db2.gz CWXBTQPHEUNEFS-UHFFFAOYSA-N 2 2 382.548 3.815 20 0 GHADLP COC(C[N@@H+](Cc1ccccc1)C1CC[NH+](CCc2ccccc2)CC1)OC ZINC001258140695 1044425355 /nfs/dbraw/zinc/42/53/55/1044425355.db2.gz CWXBTQPHEUNEFS-UHFFFAOYSA-N 2 2 382.548 3.815 20 0 GHADLP CSCC[C@H](C)[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001258229598 1044478885 /nfs/dbraw/zinc/47/88/85/1044478885.db2.gz PAFCTQXMPPMPNZ-KRWDZBQOSA-N 2 2 399.645 3.924 20 0 GHADLP CSCC[C@H](C)[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001258229598 1044478900 /nfs/dbraw/zinc/47/89/00/1044478900.db2.gz PAFCTQXMPPMPNZ-KRWDZBQOSA-N 2 2 399.645 3.924 20 0 GHADLP C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001258304547 1044499263 /nfs/dbraw/zinc/49/92/63/1044499263.db2.gz DUUZTVLLLBLYLH-QMMLZNLJSA-N 2 2 387.593 3.871 20 0 GHADLP CSC(C)(C)C[C@H](C)[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001258345565 1044520491 /nfs/dbraw/zinc/52/04/91/1044520491.db2.gz ARQRUWDDTHCPKK-IRXDYDNUSA-N 2 2 399.645 3.970 20 0 GHADLP CSC(C)(C)C[C@H](C)[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001258345565 1044520508 /nfs/dbraw/zinc/52/05/08/1044520508.db2.gz ARQRUWDDTHCPKK-IRXDYDNUSA-N 2 2 399.645 3.970 20 0 GHADLP CCOC(=O)CC[C@@H](C)[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001258501429 1044584009 /nfs/dbraw/zinc/58/40/09/1044584009.db2.gz UAZBMXSHULPSMU-OAHLLOKOSA-N 2 2 386.458 3.991 20 0 GHADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000479048952 1044667183 /nfs/dbraw/zinc/66/71/83/1044667183.db2.gz AECHGCPDTUDBLY-IRXDYDNUSA-N 2 2 398.532 3.548 20 0 GHADLP CCCC[C@@H](Cc1ccccc1)[NH+]1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001258710270 1044726165 /nfs/dbraw/zinc/72/61/65/1044726165.db2.gz PNWYOLAICJZLRX-QHCPKHFHSA-N 2 2 393.575 3.898 20 0 GHADLP CCCC[C@H](Cc1ccccc1)[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001258712468 1044730559 /nfs/dbraw/zinc/73/05/59/1044730559.db2.gz UUHAKQTZOQLSCM-JOCHJYFZSA-N 2 2 395.595 3.924 20 0 GHADLP CCCC[C@H](Cc1ccccc1)[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001258712468 1044730573 /nfs/dbraw/zinc/73/05/73/1044730573.db2.gz UUHAKQTZOQLSCM-JOCHJYFZSA-N 2 2 395.595 3.924 20 0 GHADLP CCC[NH+]1CCC([NH2+][C@@H](CC(=O)OC)c2ccc(Br)cc2)CC1 ZINC001258770713 1044757409 /nfs/dbraw/zinc/75/74/09/1044757409.db2.gz NIKKPJSPQDVDIU-KRWDZBQOSA-N 2 2 383.330 3.517 20 0 GHADLP O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccc(C[NH+]2CCCC2)o1 ZINC001297645945 1045595584 /nfs/dbraw/zinc/59/55/84/1045595584.db2.gz AGQYHSOQNKCOBR-HXUWFJFHSA-N 2 2 393.487 3.729 20 0 GHADLP CCOc1ccccc1[C@H]([NH3+])CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC001263092797 1046556335 /nfs/dbraw/zinc/55/63/35/1046556335.db2.gz FRBQOQJRHAYNPT-QGZVFWFLSA-N 2 2 388.537 3.556 20 0 GHADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC001264591563 1047384577 /nfs/dbraw/zinc/38/45/77/1047384577.db2.gz CMGSFYFJDIVXBO-LEWJYISDSA-N 2 2 397.588 3.837 20 0 GHADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC001264591563 1047384585 /nfs/dbraw/zinc/38/45/85/1047384585.db2.gz CMGSFYFJDIVXBO-LEWJYISDSA-N 2 2 397.588 3.837 20 0 GHADLP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001264591563 1047384592 /nfs/dbraw/zinc/38/45/92/1047384592.db2.gz CMGSFYFJDIVXBO-LEWJYISDSA-N 2 2 397.588 3.837 20 0 GHADLP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001264591563 1047384603 /nfs/dbraw/zinc/38/46/03/1047384603.db2.gz CMGSFYFJDIVXBO-LEWJYISDSA-N 2 2 397.588 3.837 20 0 GHADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC001264591566 1047384771 /nfs/dbraw/zinc/38/47/71/1047384771.db2.gz CMGSFYFJDIVXBO-SFTDATJTSA-N 2 2 397.588 3.837 20 0 GHADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC001264591566 1047384783 /nfs/dbraw/zinc/38/47/83/1047384783.db2.gz CMGSFYFJDIVXBO-SFTDATJTSA-N 2 2 397.588 3.837 20 0 GHADLP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001264591566 1047384795 /nfs/dbraw/zinc/38/47/95/1047384795.db2.gz CMGSFYFJDIVXBO-SFTDATJTSA-N 2 2 397.588 3.837 20 0 GHADLP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001264591566 1047384807 /nfs/dbraw/zinc/38/48/07/1047384807.db2.gz CMGSFYFJDIVXBO-SFTDATJTSA-N 2 2 397.588 3.837 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000668171315 1047497475 /nfs/dbraw/zinc/49/74/75/1047497475.db2.gz JWKCJMIKCHBLBR-WMZOPIPTSA-N 2 2 375.398 3.654 20 0 GHADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3c(Cl)cncc3Cl)C2)C1 ZINC001279391195 1047791204 /nfs/dbraw/zinc/79/12/04/1047791204.db2.gz XQNJCMNYVTZEED-LJQANCHMSA-N 2 2 385.383 3.628 20 0 GHADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3c(Cl)cncc3Cl)C2)C1 ZINC001279391195 1047791208 /nfs/dbraw/zinc/79/12/08/1047791208.db2.gz XQNJCMNYVTZEED-LJQANCHMSA-N 2 2 385.383 3.628 20 0 GHADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001279448574 1047813063 /nfs/dbraw/zinc/81/30/63/1047813063.db2.gz GQISVFYOLQUNMV-IRXDYDNUSA-N 2 2 375.866 3.569 20 0 GHADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001279448574 1047813069 /nfs/dbraw/zinc/81/30/69/1047813069.db2.gz GQISVFYOLQUNMV-IRXDYDNUSA-N 2 2 375.866 3.569 20 0 GHADLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1nc(Cl)ccc1F)CC2 ZINC001279550851 1047838585 /nfs/dbraw/zinc/83/85/85/1047838585.db2.gz FPCGKQSHRLHUHA-UHFFFAOYSA-N 2 2 380.920 3.737 20 0 GHADLP Cc1ncsc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3sc(=O)[nH]c3Cl)(C1)CCC2 ZINC001279689068 1047916025 /nfs/dbraw/zinc/91/60/25/1047916025.db2.gz YJYJFOTYOPAVNR-DLBZAZTESA-N 2 2 398.985 3.992 20 0 GHADLP C[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001307524187 1049367645 /nfs/dbraw/zinc/36/76/45/1049367645.db2.gz TZPRUJPAVAQLPP-NRSPTQNISA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001307524187 1049367657 /nfs/dbraw/zinc/36/76/57/1049367657.db2.gz TZPRUJPAVAQLPP-NRSPTQNISA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001307524187 1049367672 /nfs/dbraw/zinc/36/76/72/1049367672.db2.gz TZPRUJPAVAQLPP-NRSPTQNISA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001307524187 1049367688 /nfs/dbraw/zinc/36/76/88/1049367688.db2.gz TZPRUJPAVAQLPP-NRSPTQNISA-N 2 2 387.568 3.886 20 0 GHADLP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001307704597 1049520891 /nfs/dbraw/zinc/52/08/91/1049520891.db2.gz DAKQEFOGEREQIR-RUZDIDTESA-N 2 2 395.591 3.765 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(Br)ccc3C)CC2)CC1 ZINC001307854517 1049636087 /nfs/dbraw/zinc/63/60/87/1049636087.db2.gz HRRVNHPPMNNPCN-UHFFFAOYSA-N 2 2 394.401 3.750 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(Br)ccc3C)CC2)CC1 ZINC001307854517 1049636092 /nfs/dbraw/zinc/63/60/92/1049636092.db2.gz HRRVNHPPMNNPCN-UHFFFAOYSA-N 2 2 394.401 3.750 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(Br)ccc3C)CC2)CC1 ZINC001307854517 1049636098 /nfs/dbraw/zinc/63/60/98/1049636098.db2.gz HRRVNHPPMNNPCN-UHFFFAOYSA-N 2 2 394.401 3.750 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(Br)ccc3C)CC2)CC1 ZINC001307854517 1049636101 /nfs/dbraw/zinc/63/61/01/1049636101.db2.gz HRRVNHPPMNNPCN-UHFFFAOYSA-N 2 2 394.401 3.750 20 0 GHADLP COC[C@H](C)[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC001307977544 1049735312 /nfs/dbraw/zinc/73/53/12/1049735312.db2.gz ZEFJEZUUAUBJCR-NGYIFUPDSA-N 2 2 382.548 3.504 20 0 GHADLP COC[C@H](C)[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC001307977544 1049735319 /nfs/dbraw/zinc/73/53/19/1049735319.db2.gz ZEFJEZUUAUBJCR-NGYIFUPDSA-N 2 2 382.548 3.504 20 0 GHADLP COC[C@H](C)[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC001307977544 1049735328 /nfs/dbraw/zinc/73/53/28/1049735328.db2.gz ZEFJEZUUAUBJCR-NGYIFUPDSA-N 2 2 382.548 3.504 20 0 GHADLP COC[C@H](C)[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC001307977544 1049735335 /nfs/dbraw/zinc/73/53/35/1049735335.db2.gz ZEFJEZUUAUBJCR-NGYIFUPDSA-N 2 2 382.548 3.504 20 0 GHADLP C[C@H](Cc1ccccc1Cl)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001308202760 1049910942 /nfs/dbraw/zinc/91/09/42/1049910942.db2.gz LDUUBRDFIMCDSO-GOSISDBHSA-N 2 2 388.939 3.772 20 0 GHADLP CC1(C)[C@H]([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)[C@H]2CCO[C@@H]21 ZINC001308279646 1049934892 /nfs/dbraw/zinc/93/48/92/1049934892.db2.gz BPMOOHRNDIAMGB-LZQZEXGQSA-N 2 2 375.900 3.519 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC[N@@H+]1C ZINC001308293214 1049940218 /nfs/dbraw/zinc/94/02/18/1049940218.db2.gz KNKNFCPRVJTOKB-ZBFHGGJFSA-N 2 2 379.570 3.614 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC[N@H+]1C ZINC001308293214 1049940221 /nfs/dbraw/zinc/94/02/21/1049940221.db2.gz KNKNFCPRVJTOKB-ZBFHGGJFSA-N 2 2 379.570 3.614 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(I)cc2Cl)CC1(C)C ZINC001308381699 1049962860 /nfs/dbraw/zinc/96/28/60/1049962860.db2.gz OZKGXIBFQCWEJT-ZDUSSCGKSA-N 2 2 392.712 3.907 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(I)cc2Cl)CC1(C)C ZINC001308381699 1049962862 /nfs/dbraw/zinc/96/28/62/1049962862.db2.gz OZKGXIBFQCWEJT-ZDUSSCGKSA-N 2 2 392.712 3.907 20 0 GHADLP Brc1ccc2ncc(C[NH2+][C@@H](Cn3cc[nH+]c3)c3ccccc3)n2c1 ZINC001308499331 1049991506 /nfs/dbraw/zinc/99/15/06/1049991506.db2.gz CXJJGINOOZACRH-SFHVURJKSA-N 2 2 396.292 3.824 20 0 GHADLP C[C@@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001308716099 1050069542 /nfs/dbraw/zinc/06/95/42/1050069542.db2.gz KRYCAOIZZAKHBJ-GOSISDBHSA-N 2 2 379.589 3.878 20 0 GHADLP COC(=O)c1c[nH]c(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)c1C1CC1 ZINC001308784421 1050092780 /nfs/dbraw/zinc/09/27/80/1050092780.db2.gz IDGFQRFTIWAQJW-UHFFFAOYSA-N 2 2 384.867 3.808 20 0 GHADLP C[N@H+](Cc1cc2c(cccc2O)s1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001308887798 1050141102 /nfs/dbraw/zinc/14/11/02/1050141102.db2.gz TUPTXMXYQYXDDL-JOCHJYFZSA-N 2 2 382.529 3.676 20 0 GHADLP C[N@@H+](Cc1cc2c(cccc2O)s1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001308887798 1050141105 /nfs/dbraw/zinc/14/11/05/1050141105.db2.gz TUPTXMXYQYXDDL-JOCHJYFZSA-N 2 2 382.529 3.676 20 0 GHADLP C[NH+](Cc1cc2c(cccc2O)s1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001308887798 1050141107 /nfs/dbraw/zinc/14/11/07/1050141107.db2.gz TUPTXMXYQYXDDL-JOCHJYFZSA-N 2 2 382.529 3.676 20 0 GHADLP C[NH+](Cc1cc2c(cccc2O)s1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001308887798 1050141111 /nfs/dbraw/zinc/14/11/11/1050141111.db2.gz TUPTXMXYQYXDDL-JOCHJYFZSA-N 2 2 382.529 3.676 20 0 GHADLP Cn1cc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c(-c2cc3ccccc3o2)n1 ZINC001331564358 1051325692 /nfs/dbraw/zinc/32/56/92/1051325692.db2.gz DAKCXQVNYNYOCO-UHFFFAOYSA-N 2 2 394.519 3.566 20 0 GHADLP Cc1cn(C(C)(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH+]1 ZINC001331700799 1051355489 /nfs/dbraw/zinc/35/54/89/1051355489.db2.gz NLKFFWCPJNPJJQ-SEJPIABJSA-N 2 2 380.536 3.629 20 0 GHADLP Cc1cn(C(C)(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]1 ZINC001331700799 1051355518 /nfs/dbraw/zinc/35/55/18/1051355518.db2.gz NLKFFWCPJNPJJQ-SEJPIABJSA-N 2 2 380.536 3.629 20 0 GHADLP COc1ccc([C@H](CNC(=O)Nc2cc(C)c3[nH+]ccn3c2)[NH+]2CCCC2)cc1 ZINC001310807917 1051607787 /nfs/dbraw/zinc/60/77/87/1051607787.db2.gz ZATLKJSLEZTTAN-FQEVSTJZSA-N 2 2 393.491 3.610 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC001335346368 1052079133 /nfs/dbraw/zinc/07/91/33/1052079133.db2.gz WPVLYGIDGKWDNP-LEWJYISDSA-N 2 2 399.922 3.525 20 0 GHADLP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001335972475 1052209908 /nfs/dbraw/zinc/20/99/08/1052209908.db2.gz IRKLUHVQYJQVMB-GDZNZVCISA-N 2 2 385.733 3.543 20 0 GHADLP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001335972475 1052209915 /nfs/dbraw/zinc/20/99/15/1052209915.db2.gz IRKLUHVQYJQVMB-GDZNZVCISA-N 2 2 385.733 3.543 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC001343710388 1053981065 /nfs/dbraw/zinc/98/10/65/1053981065.db2.gz ZTFPSZZQDLDXEV-UHFFFAOYSA-N 2 2 390.834 3.938 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(OCc2cccnc2)cc1 ZINC001318490884 1054674453 /nfs/dbraw/zinc/67/44/53/1054674453.db2.gz KMARLYFVPWREKN-UHFFFAOYSA-N 2 2 385.427 3.802 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(Br)ccc1F ZINC001318587042 1054734489 /nfs/dbraw/zinc/73/44/89/1054734489.db2.gz SMFAWAQLUJZJPB-UHFFFAOYSA-N 2 2 375.201 3.730 20 0 GHADLP CN(C(=O)CC(C1CC1)C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001319486149 1055280378 /nfs/dbraw/zinc/28/03/78/1055280378.db2.gz JEONQJPKNJMKRS-YADHBBJMSA-N 2 2 375.601 3.608 20 0 GHADLP CN(C(=O)CC(C1CC1)C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001319486149 1055280394 /nfs/dbraw/zinc/28/03/94/1055280394.db2.gz JEONQJPKNJMKRS-YADHBBJMSA-N 2 2 375.601 3.608 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ncc(Br)s1 ZINC001320211878 1055709424 /nfs/dbraw/zinc/70/94/24/1055709424.db2.gz CKBSLVCPHWKDLN-CYBMUJFWSA-N 2 2 395.370 3.508 20 0 GHADLP C[NH+]1CCN(Cc2cccc(C[NH2+][C@@H](c3ncc[nH]3)C3CCCCC3)c2)CC1 ZINC001321903997 1056439234 /nfs/dbraw/zinc/43/92/34/1056439234.db2.gz YAQUWSKZGAQMEF-JOCHJYFZSA-N 2 2 381.568 3.568 20 0 GHADLP C[NH+]1CCN(c2ccccc2C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC001323786244 1057013148 /nfs/dbraw/zinc/01/31/48/1057013148.db2.gz UCJOPSWQKRNGKP-XMMPIXPASA-N 2 2 390.506 3.852 20 0 GHADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848536359 1057157162 /nfs/dbraw/zinc/15/71/62/1057157162.db2.gz OBYRIFNRITZPBG-LJQANCHMSA-N 2 2 388.943 3.567 20 0 GHADLP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CCN1C(=O)OC(C)(C)C ZINC001324724199 1057212125 /nfs/dbraw/zinc/21/21/25/1057212125.db2.gz LWICFUXYHMXWQK-QRVBRYPASA-N 2 2 390.572 3.710 20 0 GHADLP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CCN1C(=O)OC(C)(C)C ZINC001324724199 1057212133 /nfs/dbraw/zinc/21/21/33/1057212133.db2.gz LWICFUXYHMXWQK-QRVBRYPASA-N 2 2 390.572 3.710 20 0 GHADLP [NH3+]Cc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)cc(C(F)(F)F)c1 ZINC001326372214 1057469003 /nfs/dbraw/zinc/46/90/03/1057469003.db2.gz ORFVQOPJUMTLMW-SFHVURJKSA-N 2 2 392.425 3.552 20 0 GHADLP [NH3+]Cc1cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)cc(C(F)(F)F)c1 ZINC001326372214 1057469005 /nfs/dbraw/zinc/46/90/05/1057469005.db2.gz ORFVQOPJUMTLMW-SFHVURJKSA-N 2 2 392.425 3.552 20 0 GHADLP [NH2+]=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000849054682 1057564210 /nfs/dbraw/zinc/56/42/10/1057564210.db2.gz IQOVUTIKZJXLBY-UHFFFAOYSA-N 2 2 389.381 3.966 20 0 GHADLP CCOc1ccc(OCC)c(NC(=[NH2+])NCc2cccnc2-n2cc[nH+]c2C)c1 ZINC000849067185 1057578216 /nfs/dbraw/zinc/57/82/16/1057578216.db2.gz MOIPZLDTALUQKC-UHFFFAOYSA-N 2 2 394.479 3.510 20 0 GHADLP COc1cccc([C@H](CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)[NH+](C)C)c1 ZINC000849083662 1057586419 /nfs/dbraw/zinc/58/64/19/1057586419.db2.gz CYLXXGMXMNLHGX-KRWDZBQOSA-N 2 2 396.413 3.833 20 0 GHADLP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001338823686 1058812294 /nfs/dbraw/zinc/81/22/94/1058812294.db2.gz HJWUCGISZZAWDO-QFIPXVFZSA-N 2 2 398.595 3.741 20 0 GHADLP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001338823686 1058812313 /nfs/dbraw/zinc/81/23/13/1058812313.db2.gz HJWUCGISZZAWDO-QFIPXVFZSA-N 2 2 398.595 3.741 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)n2)C1 ZINC001442022794 1058905094 /nfs/dbraw/zinc/90/50/94/1058905094.db2.gz UENXHBMBJGVIFU-AHRSYUTCSA-N 2 2 398.576 3.659 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)n2)C1 ZINC001442022794 1058905101 /nfs/dbraw/zinc/90/51/01/1058905101.db2.gz UENXHBMBJGVIFU-AHRSYUTCSA-N 2 2 398.576 3.659 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)n2)C1 ZINC001442022794 1058905104 /nfs/dbraw/zinc/90/51/04/1058905104.db2.gz UENXHBMBJGVIFU-AHRSYUTCSA-N 2 2 398.576 3.659 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)n2)C1 ZINC001442022794 1058905107 /nfs/dbraw/zinc/90/51/07/1058905107.db2.gz UENXHBMBJGVIFU-AHRSYUTCSA-N 2 2 398.576 3.659 20 0 GHADLP C[C@@H](CC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1)n1cc[nH+]c1 ZINC001444504327 1059330976 /nfs/dbraw/zinc/33/09/76/1059330976.db2.gz PJVXHLOZQHULIB-FQEVSTJZSA-N 2 2 380.536 3.882 20 0 GHADLP C[C@@H](CC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1)n1cc[nH+]c1 ZINC001444504327 1059330999 /nfs/dbraw/zinc/33/09/99/1059330999.db2.gz PJVXHLOZQHULIB-FQEVSTJZSA-N 2 2 380.536 3.882 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)c2c[nH+]ccc2Nc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001445788192 1059616977 /nfs/dbraw/zinc/61/69/77/1059616977.db2.gz IMDHLJDYFKDNDE-WIYYLYMNSA-N 2 2 386.499 3.640 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)c2c[nH+]ccc2Nc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001445788192 1059616991 /nfs/dbraw/zinc/61/69/91/1059616991.db2.gz IMDHLJDYFKDNDE-WIYYLYMNSA-N 2 2 386.499 3.640 20 0 GHADLP C[C@H](C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[NH+]1CCCCCC1 ZINC001448621187 1060231153 /nfs/dbraw/zinc/23/11/53/1060231153.db2.gz QEZGNUPCHKDOQM-GOSISDBHSA-N 2 2 388.943 3.830 20 0 GHADLP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001341257280 1060533329 /nfs/dbraw/zinc/53/33/29/1060533329.db2.gz MFMITYDYSPJWQW-FPOVZHCZSA-N 2 2 399.579 3.720 20 0 GHADLP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001341257280 1060533352 /nfs/dbraw/zinc/53/33/52/1060533352.db2.gz MFMITYDYSPJWQW-FPOVZHCZSA-N 2 2 399.579 3.720 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](c3ccc(CC(C)C)cc3)[NH+](C)C)ccn12 ZINC001450797975 1060694507 /nfs/dbraw/zinc/69/45/07/1060694507.db2.gz JKJIZHHZMCQLHP-NRFANRHFSA-N 2 2 378.520 3.874 20 0 GHADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC001456222370 1062561886 /nfs/dbraw/zinc/56/18/86/1062561886.db2.gz REIBVCGZSOIIRP-CTNGQTDRSA-N 2 2 386.584 3.682 20 0 GHADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC001456222370 1062561910 /nfs/dbraw/zinc/56/19/10/1062561910.db2.gz REIBVCGZSOIIRP-CTNGQTDRSA-N 2 2 386.584 3.682 20 0 GHADLP Cc1cccc([C@@H]2C[C@H]2C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001435866112 1062969315 /nfs/dbraw/zinc/96/93/15/1062969315.db2.gz RSHRRAFDTLCGLT-OLKYXYMISA-N 2 2 397.607 3.894 20 0 GHADLP Cc1cccc([C@@H]2C[C@H]2C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001435866112 1062969321 /nfs/dbraw/zinc/96/93/21/1062969321.db2.gz RSHRRAFDTLCGLT-OLKYXYMISA-N 2 2 397.607 3.894 20 0 GHADLP FC(F)c1cccc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001351780691 1064599042 /nfs/dbraw/zinc/59/90/42/1064599042.db2.gz HRMMDADRODLNJE-UHFFFAOYSA-N 2 2 376.447 3.625 20 0 GHADLP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001464130449 1064844262 /nfs/dbraw/zinc/84/42/62/1064844262.db2.gz UWKOJQZPNLRQIW-RBUKOAKNSA-N 2 2 395.950 3.997 20 0 GHADLP CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001464130449 1064844270 /nfs/dbraw/zinc/84/42/70/1064844270.db2.gz UWKOJQZPNLRQIW-RBUKOAKNSA-N 2 2 395.950 3.997 20 0 GHADLP C[C@@H]1Cc2cc(C[NH2+]CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)ccc2O1 ZINC001200171601 1065466790 /nfs/dbraw/zinc/46/67/90/1065466790.db2.gz CBRWXPRUIOEHQO-GOSISDBHSA-N 2 2 399.966 3.965 20 0 GHADLP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)c1 ZINC000849113684 1067734249 /nfs/dbraw/zinc/73/42/49/1067734249.db2.gz ZYRZYYMEJXZSOV-SFHVURJKSA-N 2 2 388.537 3.665 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC001470008165 1068518245 /nfs/dbraw/zinc/51/82/45/1068518245.db2.gz UGVPNKXKWQJSLQ-BENRWUELSA-N 2 2 389.540 3.567 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC001470008165 1068518255 /nfs/dbraw/zinc/51/82/55/1068518255.db2.gz UGVPNKXKWQJSLQ-BENRWUELSA-N 2 2 389.540 3.567 20 0 GHADLP Cc1csc(C[C@H]2CCC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)n1 ZINC001460793571 1069183527 /nfs/dbraw/zinc/18/35/27/1069183527.db2.gz MNJQTFAWRMVXGJ-OAQYLSRUSA-N 2 2 398.620 3.918 20 0 GHADLP Cc1csc(C[C@H]2CCC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)n1 ZINC001460793571 1069183531 /nfs/dbraw/zinc/18/35/31/1069183531.db2.gz MNJQTFAWRMVXGJ-OAQYLSRUSA-N 2 2 398.620 3.918 20 0 GHADLP CC[N@H+](CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1)CCC(F)(F)F ZINC001478422483 1078862101 /nfs/dbraw/zinc/86/21/01/1078862101.db2.gz OCOMJQVGQFIMKW-OAHLLOKOSA-N 2 2 397.445 3.507 20 0 GHADLP CC[N@@H+](CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1)CCC(F)(F)F ZINC001478422483 1078862109 /nfs/dbraw/zinc/86/21/09/1078862109.db2.gz OCOMJQVGQFIMKW-OAHLLOKOSA-N 2 2 397.445 3.507 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001473176580 1073834419 /nfs/dbraw/zinc/83/44/19/1073834419.db2.gz XSXWRKNSIMTMLG-QFIPXVFZSA-N 2 2 393.575 3.615 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001473176580 1073834433 /nfs/dbraw/zinc/83/44/33/1073834433.db2.gz XSXWRKNSIMTMLG-QFIPXVFZSA-N 2 2 393.575 3.615 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)CCOC(=O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001473206584 1073859491 /nfs/dbraw/zinc/85/94/91/1073859491.db2.gz SNCQQYXZIQWSKB-REWPJTCUSA-N 2 2 380.532 3.757 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)CCOC(=O)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001473206584 1073859502 /nfs/dbraw/zinc/85/95/02/1073859502.db2.gz SNCQQYXZIQWSKB-REWPJTCUSA-N 2 2 380.532 3.757 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)CCOC(=O)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001473206584 1073859511 /nfs/dbraw/zinc/85/95/11/1073859511.db2.gz SNCQQYXZIQWSKB-REWPJTCUSA-N 2 2 380.532 3.757 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)CCOC(=O)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001473206584 1073859519 /nfs/dbraw/zinc/85/95/19/1073859519.db2.gz SNCQQYXZIQWSKB-REWPJTCUSA-N 2 2 380.532 3.757 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+]C3(c4ccccc4)CC3)CC2)cc1 ZINC001473308915 1073915059 /nfs/dbraw/zinc/91/50/59/1073915059.db2.gz MADXETFSRWBKJV-UHFFFAOYSA-N 2 2 391.559 3.733 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](C)c3cccc(O)c3)CC2)cc1 ZINC001473377633 1073940458 /nfs/dbraw/zinc/94/04/58/1073940458.db2.gz BYJYVADYBWEBQW-LJQANCHMSA-N 2 2 395.547 3.511 20 0 GHADLP COc1ccc(NC(=O)CC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1Cl ZINC001473747417 1074120892 /nfs/dbraw/zinc/12/08/92/1074120892.db2.gz OKKSFURSHCXTMS-LJQANCHMSA-N 2 2 398.894 3.905 20 0 GHADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001473788085 1074143154 /nfs/dbraw/zinc/14/31/54/1074143154.db2.gz CBUNSXVYJRPFOQ-FCHUYYIVSA-N 2 2 393.531 3.763 20 0 GHADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001473788085 1074143157 /nfs/dbraw/zinc/14/31/57/1074143157.db2.gz CBUNSXVYJRPFOQ-FCHUYYIVSA-N 2 2 393.531 3.763 20 0 GHADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001473788085 1074143160 /nfs/dbraw/zinc/14/31/60/1074143160.db2.gz CBUNSXVYJRPFOQ-FCHUYYIVSA-N 2 2 393.531 3.763 20 0 GHADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001473788085 1074143162 /nfs/dbraw/zinc/14/31/62/1074143162.db2.gz CBUNSXVYJRPFOQ-FCHUYYIVSA-N 2 2 393.531 3.763 20 0 GHADLP CC1(C)Cc2cc(C[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)ccc2O1 ZINC001473928495 1074206949 /nfs/dbraw/zinc/20/69/49/1074206949.db2.gz PWZOFWDYAOHGKE-UHFFFAOYSA-N 2 2 379.548 3.702 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001473935844 1074210428 /nfs/dbraw/zinc/21/04/28/1074210428.db2.gz QIYSPDORDUXNSV-IYBDPMFKSA-N 3 2 397.510 3.527 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001473935844 1074210434 /nfs/dbraw/zinc/21/04/34/1074210434.db2.gz QIYSPDORDUXNSV-IYBDPMFKSA-N 3 2 397.510 3.527 20 0 GHADLP COC[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1ccc(F)cc1 ZINC001474023460 1074239048 /nfs/dbraw/zinc/23/90/48/1074239048.db2.gz ARWBZALJQLZPBV-QGZVFWFLSA-N 2 2 396.409 3.686 20 0 GHADLP Cc1cc(Cl)ccc1Oc1ccc(F)cc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC001474081706 1074257775 /nfs/dbraw/zinc/25/77/75/1074257775.db2.gz BAJCEXKBJHNCDF-FQEVSTJZSA-N 2 2 380.891 3.982 20 0 GHADLP Cn1ccc(-c2nc(C[NH2+]C[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)cs2)n1 ZINC001474168837 1074282097 /nfs/dbraw/zinc/28/20/97/1074282097.db2.gz LVRUZBOXDORBCD-IBGZPJMESA-N 2 2 395.576 3.936 20 0 GHADLP Cn1ccc(-c2nc(C[NH2+]C[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)cs2)n1 ZINC001474168837 1074282102 /nfs/dbraw/zinc/28/21/02/1074282102.db2.gz LVRUZBOXDORBCD-IBGZPJMESA-N 2 2 395.576 3.936 20 0 GHADLP COc1ccc(OCc2nc(C[NH2+]Cc3ccc4c[nH+]cn4c3)cs2)cc1 ZINC001474174642 1074284292 /nfs/dbraw/zinc/28/42/92/1074284292.db2.gz UYCAGCDDRKYUHR-UHFFFAOYSA-N 2 2 380.473 3.668 20 0 GHADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(F)c(F)c1F ZINC001474185689 1074286932 /nfs/dbraw/zinc/28/69/32/1074286932.db2.gz XJRRICMBYDZGNN-IEBWSBKVSA-N 2 2 378.438 3.731 20 0 GHADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(F)c(F)c1F ZINC001474185689 1074286934 /nfs/dbraw/zinc/28/69/34/1074286934.db2.gz XJRRICMBYDZGNN-IEBWSBKVSA-N 2 2 378.438 3.731 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001474301307 1074330749 /nfs/dbraw/zinc/33/07/49/1074330749.db2.gz JKJTZAMYHWDIJL-DOPJRALCSA-N 2 2 379.335 3.917 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001474301307 1074330757 /nfs/dbraw/zinc/33/07/57/1074330757.db2.gz JKJTZAMYHWDIJL-DOPJRALCSA-N 2 2 379.335 3.917 20 0 GHADLP c1ccc([C@@H]2CSCC[N@H+]2Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001474401493 1074388115 /nfs/dbraw/zinc/38/81/15/1074388115.db2.gz XKQRRXGXYNDXGC-QHCPKHFHSA-N 2 2 398.572 3.688 20 0 GHADLP c1ccc([C@@H]2CSCC[N@@H+]2Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001474401493 1074388130 /nfs/dbraw/zinc/38/81/30/1074388130.db2.gz XKQRRXGXYNDXGC-QHCPKHFHSA-N 2 2 398.572 3.688 20 0 GHADLP Cc1cc(NC(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)c(C)c[nH+]1 ZINC001476303343 1075120126 /nfs/dbraw/zinc/12/01/26/1075120126.db2.gz HHPRXARURPKAIR-KRWDZBQOSA-N 2 2 380.414 3.564 20 0 GHADLP CN(c1c(-c2nn[nH]n2)c[nH+]c2ccccc21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821619106 606044638 /nfs/dbraw/zinc/04/46/38/606044638.db2.gz JUJNJTKPGJPPCX-SFHVURJKSA-N 2 2 399.502 3.516 20 0 GHADLP CN(c1c(-c2nn[nH]n2)c[nH+]c2ccccc21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821619106 606044642 /nfs/dbraw/zinc/04/46/42/606044642.db2.gz JUJNJTKPGJPPCX-SFHVURJKSA-N 2 2 399.502 3.516 20 0 GHADLP C[C@H]([NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000824547410 608514026 /nfs/dbraw/zinc/51/40/26/608514026.db2.gz NXXMYNVONPJZCW-BTYIYWSLSA-N 2 2 385.475 3.781 20 0 GHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC000826307606 609134311 /nfs/dbraw/zinc/13/43/11/609134311.db2.gz OYUFMMBMWAKPCT-INIZCTEOSA-N 2 2 394.498 3.629 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824546399 609335227 /nfs/dbraw/zinc/33/52/27/609335227.db2.gz IQPTVTNHROBAQD-HZPDHXFCSA-N 2 2 394.498 3.882 20 0 GHADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164692165 719812577 /nfs/dbraw/zinc/81/25/77/719812577.db2.gz MQTFNVNVJUOUBE-UHFFFAOYSA-N 2 2 399.564 3.748 20 0 GHADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164692165 719812578 /nfs/dbraw/zinc/81/25/78/719812578.db2.gz MQTFNVNVJUOUBE-UHFFFAOYSA-N 2 2 399.564 3.748 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000431809821 837744591 /nfs/dbraw/zinc/74/45/91/837744591.db2.gz GPIBPPSCTFGZMU-HBMCJLEFSA-N 2 2 391.506 3.623 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000431809821 837744601 /nfs/dbraw/zinc/74/46/01/837744601.db2.gz GPIBPPSCTFGZMU-HBMCJLEFSA-N 2 2 391.506 3.623 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000431809821 837744610 /nfs/dbraw/zinc/74/46/10/837744610.db2.gz GPIBPPSCTFGZMU-HBMCJLEFSA-N 2 2 391.506 3.623 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000431809821 837744622 /nfs/dbraw/zinc/74/46/22/837744622.db2.gz GPIBPPSCTFGZMU-HBMCJLEFSA-N 2 2 391.506 3.623 20 0 GHADLP Cc1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc(C(F)(F)F)c1 ZINC000683087460 834437628 /nfs/dbraw/zinc/43/76/28/834437628.db2.gz DILNLTBWURARJR-UHFFFAOYSA-N 2 2 398.473 3.694 20 0 GHADLP Cc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000643547795 834707028 /nfs/dbraw/zinc/70/70/28/834707028.db2.gz JBKDLWCIDPZUFZ-IFMALSPDSA-N 2 2 398.572 3.752 20 0 GHADLP C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458615799 834763393 /nfs/dbraw/zinc/76/33/93/834763393.db2.gz YNWKULHCJAVRQQ-MSOLQXFVSA-N 2 2 398.954 3.644 20 0 GHADLP C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458615799 834763401 /nfs/dbraw/zinc/76/34/01/834763401.db2.gz YNWKULHCJAVRQQ-MSOLQXFVSA-N 2 2 398.954 3.644 20 0 GHADLP O=C(NC1CC1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000146720358 834827236 /nfs/dbraw/zinc/82/72/36/834827236.db2.gz GYBQPRDGIXDXGS-UTKZUKDTSA-N 2 2 383.561 3.570 20 0 GHADLP O=C(NC1CC1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000146720358 834827244 /nfs/dbraw/zinc/82/72/44/834827244.db2.gz GYBQPRDGIXDXGS-UTKZUKDTSA-N 2 2 383.561 3.570 20 0 GHADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3cccc(OCCCc4ccccc4)c3)CC2)C1 ZINC000668741595 834958857 /nfs/dbraw/zinc/95/88/57/834958857.db2.gz VNHUYTUSVLNBGX-DEOSSOPVSA-N 2 2 394.559 3.729 20 0 GHADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3cccc(OCCCc4ccccc4)c3)CC2)C1 ZINC000668741595 834958864 /nfs/dbraw/zinc/95/88/64/834958864.db2.gz VNHUYTUSVLNBGX-DEOSSOPVSA-N 2 2 394.559 3.729 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)c(F)c(C)c3)CC2)C1 ZINC001143374408 835045870 /nfs/dbraw/zinc/04/58/70/835045870.db2.gz WHFXCTRZFKBJGB-IBGZPJMESA-N 2 2 376.516 3.682 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)c(F)c(C)c3)CC2)C1 ZINC001143374408 835045877 /nfs/dbraw/zinc/04/58/77/835045877.db2.gz WHFXCTRZFKBJGB-IBGZPJMESA-N 2 2 376.516 3.682 20 0 GHADLP Brc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)[C@@H]2CCCO2)cc1 ZINC000685662121 835278749 /nfs/dbraw/zinc/27/87/49/835278749.db2.gz FPWPKZYRBMAGMY-WBAXXEDZSA-N 2 2 376.298 3.539 20 0 GHADLP CCC[NH+]1CCC(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000151392239 835414876 /nfs/dbraw/zinc/41/48/76/835414876.db2.gz IPCMWMHNDDTAKR-VXKWHMMOSA-N 2 2 395.551 3.533 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2cccc(Br)c21 ZINC000658296352 835561793 /nfs/dbraw/zinc/56/17/93/835561793.db2.gz ZCFCZZMCDPSZFH-QIIPPGSGSA-N 2 2 379.342 3.840 20 0 GHADLP Cc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000584226047 835780368 /nfs/dbraw/zinc/78/03/68/835780368.db2.gz COEAQSJLHNAYSL-QNLWVQNGSA-N 2 2 398.572 3.669 20 0 GHADLP C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000151836006 835800928 /nfs/dbraw/zinc/80/09/28/835800928.db2.gz FRBCHOFCYJWDDD-SIKLNZKXSA-N 2 2 395.551 3.662 20 0 GHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(Cl)cc3F)CC2)C[C@H](C)O1 ZINC000547742860 835954128 /nfs/dbraw/zinc/95/41/28/835954128.db2.gz LPVQDNIMONBGBE-HOTGVXAUSA-N 2 2 384.923 3.569 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000471229949 836050764 /nfs/dbraw/zinc/05/07/64/836050764.db2.gz INHAWPFZEMPCGR-HUVFLSCGSA-N 2 2 393.575 3.749 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000471229949 836050779 /nfs/dbraw/zinc/05/07/79/836050779.db2.gz INHAWPFZEMPCGR-HUVFLSCGSA-N 2 2 393.575 3.749 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000471229949 836050801 /nfs/dbraw/zinc/05/08/01/836050801.db2.gz INHAWPFZEMPCGR-HUVFLSCGSA-N 2 2 393.575 3.749 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000471229949 836050811 /nfs/dbraw/zinc/05/08/11/836050811.db2.gz INHAWPFZEMPCGR-HUVFLSCGSA-N 2 2 393.575 3.749 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000533525497 836202119 /nfs/dbraw/zinc/20/21/19/836202119.db2.gz DSUACAKOWFNWIG-RXVVDRJESA-N 2 2 390.487 3.978 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000533525497 836202127 /nfs/dbraw/zinc/20/21/27/836202127.db2.gz DSUACAKOWFNWIG-RXVVDRJESA-N 2 2 390.487 3.978 20 0 GHADLP C[C@H](NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccs1 ZINC000548932075 836272294 /nfs/dbraw/zinc/27/22/94/836272294.db2.gz PIHVOPIEDQRQCL-FXAWDEMLSA-N 2 2 385.577 3.816 20 0 GHADLP C[C@H](NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccs1 ZINC000548932075 836272304 /nfs/dbraw/zinc/27/23/04/836272304.db2.gz PIHVOPIEDQRQCL-FXAWDEMLSA-N 2 2 385.577 3.816 20 0 GHADLP O=C(NCc1ccco1)c1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000173877543 836317483 /nfs/dbraw/zinc/31/74/83/836317483.db2.gz ZKHFUQNKFYSLTJ-HXUWFJFHSA-N 2 2 381.520 3.517 20 0 GHADLP O=C(NCc1ccco1)c1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000173877543 836317495 /nfs/dbraw/zinc/31/74/95/836317495.db2.gz ZKHFUQNKFYSLTJ-HXUWFJFHSA-N 2 2 381.520 3.517 20 0 GHADLP C[C@H](c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1)[NH+](C)C ZINC000923880880 836336078 /nfs/dbraw/zinc/33/60/78/836336078.db2.gz LEPBSZUUACILRP-QGZVFWFLSA-N 2 2 392.503 3.858 20 0 GHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000332681123 836456878 /nfs/dbraw/zinc/45/68/78/836456878.db2.gz IDXVVVZDCIMZQG-ICSRJNTNSA-N 2 2 384.568 3.794 20 0 GHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000332681123 836456884 /nfs/dbraw/zinc/45/68/84/836456884.db2.gz IDXVVVZDCIMZQG-ICSRJNTNSA-N 2 2 384.568 3.794 20 0 GHADLP Cc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000174755774 836534325 /nfs/dbraw/zinc/53/43/25/836534325.db2.gz WKMXGXZBHDZLTO-UHFFFAOYSA-N 2 2 386.462 3.504 20 0 GHADLP Cc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000174755774 836534333 /nfs/dbraw/zinc/53/43/33/836534333.db2.gz WKMXGXZBHDZLTO-UHFFFAOYSA-N 2 2 386.462 3.504 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2cccc(Cl)c2s1 ZINC000570453098 836876984 /nfs/dbraw/zinc/87/69/84/836876984.db2.gz MFSXZIICJDUFKJ-UHFFFAOYSA-N 2 2 379.957 3.653 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2cccc(Cl)c2s1 ZINC000570453098 836876985 /nfs/dbraw/zinc/87/69/85/836876985.db2.gz MFSXZIICJDUFKJ-UHFFFAOYSA-N 2 2 379.957 3.653 20 0 GHADLP O=C1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccc(F)cc1 ZINC000414305611 837001043 /nfs/dbraw/zinc/00/10/43/837001043.db2.gz DMIJJNLLYVNOKE-SNJCGAMXSA-N 2 2 393.506 3.716 20 0 GHADLP O=C1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccc(F)cc1 ZINC000414305611 837001052 /nfs/dbraw/zinc/00/10/52/837001052.db2.gz DMIJJNLLYVNOKE-SNJCGAMXSA-N 2 2 393.506 3.716 20 0 GHADLP CN(C(=O)c1ccsc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612958372 837017762 /nfs/dbraw/zinc/01/77/62/837017762.db2.gz BCWFRKPLWBGBKU-IAGOWNOFSA-N 2 2 383.989 3.811 20 0 GHADLP CN(C(=O)c1ccsc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612958372 837017775 /nfs/dbraw/zinc/01/77/75/837017775.db2.gz BCWFRKPLWBGBKU-IAGOWNOFSA-N 2 2 383.989 3.811 20 0 GHADLP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000892527839 837326688 /nfs/dbraw/zinc/32/66/88/837326688.db2.gz YQNQAYPLIFFJKU-UHFFFAOYSA-N 2 2 389.425 3.701 20 0 GHADLP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162553331 837349992 /nfs/dbraw/zinc/34/99/92/837349992.db2.gz SHNINPYDSODGTJ-UHFFFAOYSA-N 2 2 389.466 3.584 20 0 GHADLP CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655770145 837835947 /nfs/dbraw/zinc/83/59/47/837835947.db2.gz AJYFUTJLCJRKKE-DNVCBOLYSA-N 2 2 393.369 3.915 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655847853 838047122 /nfs/dbraw/zinc/04/71/22/838047122.db2.gz DLGCJBGNJSQEGT-AHRSYUTCSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655847853 838047131 /nfs/dbraw/zinc/04/71/31/838047131.db2.gz DLGCJBGNJSQEGT-AHRSYUTCSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1Cl ZINC000118842960 838262783 /nfs/dbraw/zinc/26/27/83/838262783.db2.gz GVJJGNNNFYNFNL-SOUVJXGZSA-N 2 2 386.367 3.833 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1Cl ZINC000118842960 838262791 /nfs/dbraw/zinc/26/27/91/838262791.db2.gz GVJJGNNNFYNFNL-SOUVJXGZSA-N 2 2 386.367 3.833 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000118842960 838262795 /nfs/dbraw/zinc/26/27/95/838262795.db2.gz GVJJGNNNFYNFNL-SOUVJXGZSA-N 2 2 386.367 3.833 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000118842960 838262803 /nfs/dbraw/zinc/26/28/03/838262803.db2.gz GVJJGNNNFYNFNL-SOUVJXGZSA-N 2 2 386.367 3.833 20 0 GHADLP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(OCC)cc3)CC2)c1 ZINC000415938409 838290637 /nfs/dbraw/zinc/29/06/37/838290637.db2.gz YBJCQEZIFHJJJI-UHFFFAOYSA-N 2 2 396.535 3.545 20 0 GHADLP C[NH+](C)CCOc1ccc(CNc2[nH]c3ccc(Br)cc3[nH+]2)cc1 ZINC000683723956 838435906 /nfs/dbraw/zinc/43/59/06/838435906.db2.gz YUZGONJXENSGHD-UHFFFAOYSA-N 2 2 389.297 3.878 20 0 GHADLP C[NH+](C)CCOc1ccc(CNc2[nH]c3cc(Br)ccc3[nH+]2)cc1 ZINC000683723956 838435912 /nfs/dbraw/zinc/43/59/12/838435912.db2.gz YUZGONJXENSGHD-UHFFFAOYSA-N 2 2 389.297 3.878 20 0 GHADLP O=C(CC[NH+]1CCC(Nc2cccc[nH+]2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000580046715 838732845 /nfs/dbraw/zinc/73/28/45/838732845.db2.gz GYAGLURHDZRHBZ-OAQYLSRUSA-N 2 2 378.520 3.542 20 0 GHADLP Cc1c(Cl)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)nc2ccccc12 ZINC000378319184 838855236 /nfs/dbraw/zinc/85/52/36/838855236.db2.gz NHGNPOZFXYMSSF-KKSFZXQISA-N 2 2 386.971 3.654 20 0 GHADLP Cc1c(Cl)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)nc2ccccc12 ZINC000378319184 838855246 /nfs/dbraw/zinc/85/52/46/838855246.db2.gz NHGNPOZFXYMSSF-KKSFZXQISA-N 2 2 386.971 3.654 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000124445699 839053770 /nfs/dbraw/zinc/05/37/70/839053770.db2.gz KZZDSFBACUUTPW-NRFANRHFSA-N 2 2 378.476 3.594 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000124445699 839053786 /nfs/dbraw/zinc/05/37/86/839053786.db2.gz KZZDSFBACUUTPW-NRFANRHFSA-N 2 2 378.476 3.594 20 0 GHADLP CN(C(=O)c1ccc(F)cc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124566007 839110478 /nfs/dbraw/zinc/11/04/78/839110478.db2.gz FHTNNEMTDKBUBJ-UXHICEINSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1ccc(F)cc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124566007 839110487 /nfs/dbraw/zinc/11/04/87/839110487.db2.gz FHTNNEMTDKBUBJ-UXHICEINSA-N 2 2 395.950 3.888 20 0 GHADLP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001167373052 839155455 /nfs/dbraw/zinc/15/54/55/839155455.db2.gz QREBBSNTGGLMJO-HSZRJFAPSA-N 2 2 388.515 3.855 20 0 GHADLP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001167373052 839155462 /nfs/dbraw/zinc/15/54/62/839155462.db2.gz QREBBSNTGGLMJO-HSZRJFAPSA-N 2 2 388.515 3.855 20 0 GHADLP CCOc1ccc(F)c(F)c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001143489650 839176923 /nfs/dbraw/zinc/17/69/23/839176923.db2.gz AXRULWLCFAJOQI-MSOLQXFVSA-N 2 2 387.474 3.712 20 0 GHADLP CCOc1ccc(F)c(F)c1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001143489650 839176933 /nfs/dbraw/zinc/17/69/33/839176933.db2.gz AXRULWLCFAJOQI-MSOLQXFVSA-N 2 2 387.474 3.712 20 0 GHADLP CCOc1ccc(F)c(F)c1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001143489650 839176936 /nfs/dbraw/zinc/17/69/36/839176936.db2.gz AXRULWLCFAJOQI-MSOLQXFVSA-N 2 2 387.474 3.712 20 0 GHADLP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000549192520 839232990 /nfs/dbraw/zinc/23/29/90/839232990.db2.gz VSFJNRLOGHEPDX-NRFANRHFSA-N 2 2 397.563 3.686 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1nc3cc(C(F)(F)F)ccc3n1C)CCC2 ZINC000363886930 839428529 /nfs/dbraw/zinc/42/85/29/839428529.db2.gz FJHKMIYNBHSOMZ-CYBMUJFWSA-N 2 2 377.414 3.764 20 0 GHADLP Cc1cc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc1OCC[NH+](C)C ZINC000458194719 844438640 /nfs/dbraw/zinc/43/86/40/844438640.db2.gz DYLLTEQPZQCXOG-MRXNPFEDSA-N 2 2 384.524 3.526 20 0 GHADLP Cc1cc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc1OCC[NH+](C)C ZINC000458194719 844438644 /nfs/dbraw/zinc/43/86/44/844438644.db2.gz DYLLTEQPZQCXOG-MRXNPFEDSA-N 2 2 384.524 3.526 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ncc(C3OCCO3)s2)CC1 ZINC000377541284 839694565 /nfs/dbraw/zinc/69/45/65/839694565.db2.gz LSYUAFGZSDNESE-INIZCTEOSA-N 2 2 379.570 3.665 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ncc(C3OCCO3)s2)CC1 ZINC000377541284 839694571 /nfs/dbraw/zinc/69/45/71/839694571.db2.gz LSYUAFGZSDNESE-INIZCTEOSA-N 2 2 379.570 3.665 20 0 GHADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000580499316 839694528 /nfs/dbraw/zinc/69/45/28/839694528.db2.gz WMCIQKJZFVSQBG-GVAUOCQISA-N 3 2 386.543 3.932 20 0 GHADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000580499316 839694535 /nfs/dbraw/zinc/69/45/35/839694535.db2.gz WMCIQKJZFVSQBG-GVAUOCQISA-N 3 2 386.543 3.932 20 0 GHADLP CC[N@H+](CCO[C@H]1CC1(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000660079517 840100112 /nfs/dbraw/zinc/10/01/12/840100112.db2.gz KUOSZKLTTMLJFU-KRWDZBQOSA-N 2 2 382.499 3.623 20 0 GHADLP CC[N@@H+](CCO[C@H]1CC1(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000660079517 840100121 /nfs/dbraw/zinc/10/01/21/840100121.db2.gz KUOSZKLTTMLJFU-KRWDZBQOSA-N 2 2 382.499 3.623 20 0 GHADLP CC(C)Cn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000601475346 840132407 /nfs/dbraw/zinc/13/24/07/840132407.db2.gz YJNOOTRFUSXJJU-HXUWFJFHSA-N 2 2 396.579 3.538 20 0 GHADLP CC(C)Cn1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000601475346 840132411 /nfs/dbraw/zinc/13/24/11/840132411.db2.gz YJNOOTRFUSXJJU-HXUWFJFHSA-N 2 2 396.579 3.538 20 0 GHADLP C[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000759856738 840221677 /nfs/dbraw/zinc/22/16/77/840221677.db2.gz ZHUWAWMTURTSCW-NRFANRHFSA-N 2 2 391.918 3.546 20 0 GHADLP C[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000759856738 840221690 /nfs/dbraw/zinc/22/16/90/840221690.db2.gz ZHUWAWMTURTSCW-NRFANRHFSA-N 2 2 391.918 3.546 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000563060837 840567845 /nfs/dbraw/zinc/56/78/45/840567845.db2.gz GYVPWHRTXCJWPB-QVKFZJNVSA-N 2 2 387.474 3.513 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000563060837 840567847 /nfs/dbraw/zinc/56/78/47/840567847.db2.gz GYVPWHRTXCJWPB-QVKFZJNVSA-N 2 2 387.474 3.513 20 0 GHADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000581168185 840816085 /nfs/dbraw/zinc/81/60/85/840816085.db2.gz MPVSCKNRUYQHDG-REWPJTCUSA-N 2 2 395.547 3.593 20 0 GHADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000581168185 840816098 /nfs/dbraw/zinc/81/60/98/840816098.db2.gz MPVSCKNRUYQHDG-REWPJTCUSA-N 2 2 395.547 3.593 20 0 GHADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000430559505 841092119 /nfs/dbraw/zinc/09/21/19/841092119.db2.gz CXLMKLYPAUPGNM-RISCZKNCSA-N 2 2 379.854 3.991 20 0 GHADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000430559505 841092128 /nfs/dbraw/zinc/09/21/28/841092128.db2.gz CXLMKLYPAUPGNM-RISCZKNCSA-N 2 2 379.854 3.991 20 0 GHADLP C[NH+](C)[C@H]1CCC[NH+](Cc2cccc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)c2)CC1 ZINC000277101481 844619997 /nfs/dbraw/zinc/61/99/97/844619997.db2.gz GOQBPYASSSXIAN-ZEQRLZLVSA-N 4 2 386.628 3.519 20 0 GHADLP C[NH+](C)[C@H]1CCC[NH+](Cc2cccc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)c2)CC1 ZINC000277101481 844620005 /nfs/dbraw/zinc/62/00/05/844620005.db2.gz GOQBPYASSSXIAN-ZEQRLZLVSA-N 4 2 386.628 3.519 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000277100432 844620515 /nfs/dbraw/zinc/62/05/15/844620515.db2.gz WBKAMGLUYITCRH-UHFFFAOYSA-N 2 2 399.583 3.909 20 0 GHADLP Fc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)c(I)c1 ZINC000417890597 841251675 /nfs/dbraw/zinc/25/16/75/841251675.db2.gz BGVSTDNIKFBISU-UHFFFAOYSA-N 2 2 399.251 3.807 20 0 GHADLP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000119000200 841853346 /nfs/dbraw/zinc/85/33/46/841853346.db2.gz KOZBHFJSCFWGNT-NPTZKERSSA-N 2 2 395.551 3.531 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc(C4CCCC4)n3C(C)C)CC2)CC1 ZINC000581789315 842215856 /nfs/dbraw/zinc/21/58/56/842215856.db2.gz KTHPAYVCFRZCFA-UHFFFAOYSA-N 2 2 388.604 3.513 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnc(C4CCCC4)n3C(C)C)CC2)CC1 ZINC000581789315 842215864 /nfs/dbraw/zinc/21/58/64/842215864.db2.gz KTHPAYVCFRZCFA-UHFFFAOYSA-N 2 2 388.604 3.513 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2Br)[C@H](C)C1 ZINC000512054079 842346396 /nfs/dbraw/zinc/34/63/96/842346396.db2.gz USJQDKCIDTWHLP-DNVCBOLYSA-N 2 2 399.373 3.684 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2Br)[C@H](C)C1 ZINC000512054079 842346409 /nfs/dbraw/zinc/34/64/09/842346409.db2.gz USJQDKCIDTWHLP-DNVCBOLYSA-N 2 2 399.373 3.684 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351565 842346644 /nfs/dbraw/zinc/34/66/44/842346644.db2.gz GMHZTLAHAKSTRS-STSQHVNTSA-N 2 2 379.504 3.867 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351565 842346655 /nfs/dbraw/zinc/34/66/55/842346655.db2.gz GMHZTLAHAKSTRS-STSQHVNTSA-N 2 2 379.504 3.867 20 0 GHADLP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351499 842347060 /nfs/dbraw/zinc/34/70/60/842347060.db2.gz BBJMHTOYABTQHD-QITLCBANSA-N 2 2 380.414 3.877 20 0 GHADLP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351499 842347071 /nfs/dbraw/zinc/34/70/71/842347071.db2.gz BBJMHTOYABTQHD-QITLCBANSA-N 2 2 380.414 3.877 20 0 GHADLP CC(C)N1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000511907828 842358588 /nfs/dbraw/zinc/35/85/88/842358588.db2.gz DOVIEGROYYSRDO-ICSRJNTNSA-N 2 2 394.535 3.797 20 0 GHADLP Cc1c(O)ccc2c(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cc(=O)oc12 ZINC000278945931 842360107 /nfs/dbraw/zinc/36/01/07/842360107.db2.gz VCPKTOFZQKYMRQ-UHFFFAOYSA-N 2 2 393.487 3.719 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)[NH+](CC)CC)cc1 ZINC000432443975 842516897 /nfs/dbraw/zinc/51/68/97/842516897.db2.gz MQQFTGBJIVCQEU-NHCUHLMSSA-N 2 2 397.567 3.565 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@](C)([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162018 842654148 /nfs/dbraw/zinc/65/41/48/842654148.db2.gz CTHHAERZBVKTEY-ZJOUEHCJSA-N 2 2 389.902 3.605 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)[C@@](C)([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162018 842654151 /nfs/dbraw/zinc/65/41/51/842654151.db2.gz CTHHAERZBVKTEY-ZJOUEHCJSA-N 2 2 389.902 3.605 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162938427 842920589 /nfs/dbraw/zinc/92/05/89/842920589.db2.gz VESMGMUPWXTUHQ-YKSBVNFPSA-N 3 2 378.564 3.678 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162938427 842920597 /nfs/dbraw/zinc/92/05/97/842920597.db2.gz VESMGMUPWXTUHQ-YKSBVNFPSA-N 3 2 378.564 3.678 20 0 GHADLP Cc1cccc([C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c2cccc(F)c2)c1 ZINC000510658787 843145713 /nfs/dbraw/zinc/14/57/13/843145713.db2.gz VJEXJVUMPNGIBF-PKTZIBPZSA-N 2 2 397.538 3.756 20 0 GHADLP Cc1cccc([C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c2cccc(F)c2)c1 ZINC000510658787 843145719 /nfs/dbraw/zinc/14/57/19/843145719.db2.gz VJEXJVUMPNGIBF-PKTZIBPZSA-N 2 2 397.538 3.756 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCOc2ccccc2Br)C1 ZINC000091704853 843337450 /nfs/dbraw/zinc/33/74/50/843337450.db2.gz LWIDHTBTDUSULQ-HNNXBMFYSA-N 2 2 378.314 3.516 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCOc2ccccc2Br)C1 ZINC000091704853 843337459 /nfs/dbraw/zinc/33/74/59/843337459.db2.gz LWIDHTBTDUSULQ-HNNXBMFYSA-N 2 2 378.314 3.516 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000549613486 843596954 /nfs/dbraw/zinc/59/69/54/843596954.db2.gz IFUWNBFXRPTLAT-UTKZUKDTSA-N 2 2 397.494 3.734 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc3-n3ccnc32)[C@@H](C)C1 ZINC000663470425 843680568 /nfs/dbraw/zinc/68/05/68/843680568.db2.gz IBYZCJPLWRKTIR-JBACZVJFSA-N 2 2 382.552 3.586 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc3-n3ccnc32)[C@@H](C)C1 ZINC000663470425 843680571 /nfs/dbraw/zinc/68/05/71/843680571.db2.gz IBYZCJPLWRKTIR-JBACZVJFSA-N 2 2 382.552 3.586 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000419285209 843863128 /nfs/dbraw/zinc/86/31/28/843863128.db2.gz DHZCDHGZNPEYTO-ZDUSSCGKSA-N 2 2 385.430 3.519 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246125454 844722683 /nfs/dbraw/zinc/72/26/83/844722683.db2.gz AUOMPVUJZQLXPY-SFTDATJTSA-N 2 2 391.559 3.698 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246125454 844722694 /nfs/dbraw/zinc/72/26/94/844722694.db2.gz AUOMPVUJZQLXPY-SFTDATJTSA-N 2 2 391.559 3.698 20 0 GHADLP CN(C(=O)c1cn(C)c2ccccc12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535848725 844766815 /nfs/dbraw/zinc/76/68/15/844766815.db2.gz ATGAOMTWDONICB-XZOQPEGZSA-N 2 2 396.579 3.588 20 0 GHADLP CN(C(=O)c1cn(C)c2ccccc12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535848725 844766818 /nfs/dbraw/zinc/76/68/18/844766818.db2.gz ATGAOMTWDONICB-XZOQPEGZSA-N 2 2 396.579 3.588 20 0 GHADLP Cc1cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)ccc1C[NH+](C)C ZINC000458283858 844807826 /nfs/dbraw/zinc/80/78/26/844807826.db2.gz MOJQWWGNLTWXII-OAQYLSRUSA-N 2 2 383.561 3.785 20 0 GHADLP C[N@H+](CCCO)C1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000182791896 844902319 /nfs/dbraw/zinc/90/23/19/844902319.db2.gz XRXGBDHQBCNGMN-UHFFFAOYSA-N 2 2 393.984 3.759 20 0 GHADLP C[N@@H+](CCCO)C1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000182791896 844902326 /nfs/dbraw/zinc/90/23/26/844902326.db2.gz XRXGBDHQBCNGMN-UHFFFAOYSA-N 2 2 393.984 3.759 20 0 GHADLP c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000512662756 844918122 /nfs/dbraw/zinc/91/81/22/844918122.db2.gz ADMZIPATLDIJBO-QTJGBDASSA-N 2 2 390.575 3.719 20 0 GHADLP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000512662756 844918130 /nfs/dbraw/zinc/91/81/30/844918130.db2.gz ADMZIPATLDIJBO-QTJGBDASSA-N 2 2 390.575 3.719 20 0 GHADLP O=C(CC[C@@H]1CC[NH2+]C1)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000261734295 845100276 /nfs/dbraw/zinc/10/02/76/845100276.db2.gz GEFWDCOVUIVLIQ-LJQANCHMSA-N 2 2 388.515 3.604 20 0 GHADLP CC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000052713514 845181703 /nfs/dbraw/zinc/18/17/03/845181703.db2.gz CYCAQPXAEWEJNH-SFHVURJKSA-N 2 2 385.552 3.804 20 0 GHADLP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(Nc2[nH+]ccc3[nH]ccc32)CC1 ZINC000663973341 845196792 /nfs/dbraw/zinc/19/67/92/845196792.db2.gz MKFPFAZJVNJYTP-HNNXBMFYSA-N 2 2 398.532 3.604 20 0 GHADLP CSc1cc2c(cc1C[N@@H+]1CC[C@H](n3c[nH+]c4c3CCCC4)C1)OCCO2 ZINC000433763099 845324637 /nfs/dbraw/zinc/32/46/37/845324637.db2.gz UMCRXWATDKVFME-INIZCTEOSA-N 2 2 385.533 3.702 20 0 GHADLP CSc1cc2c(cc1C[N@H+]1CC[C@H](n3c[nH+]c4c3CCCC4)C1)OCCO2 ZINC000433763099 845324646 /nfs/dbraw/zinc/32/46/46/845324646.db2.gz UMCRXWATDKVFME-INIZCTEOSA-N 2 2 385.533 3.702 20 0 GHADLP Cc1noc(C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)n1 ZINC000277226808 845350186 /nfs/dbraw/zinc/35/01/86/845350186.db2.gz YKEPRLNMJGDADE-JOCHJYFZSA-N 2 2 376.504 3.916 20 0 GHADLP CC(C)Cc1ccc([C@H](CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)[NH+](C)C)cc1 ZINC000513396330 845351926 /nfs/dbraw/zinc/35/19/26/845351926.db2.gz PWPGEAIRDUMYCG-SFTDATJTSA-N 2 2 397.567 3.800 20 0 GHADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H](Cc2ccccn2)c2cccnc2)[nH+]1 ZINC000513487317 845538509 /nfs/dbraw/zinc/53/85/09/845538509.db2.gz BCLCSTMPRJJKNB-HSZRJFAPSA-N 2 2 383.499 3.838 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(C)c1 ZINC000433958487 845668389 /nfs/dbraw/zinc/66/83/89/845668389.db2.gz OOBWVPPYKOQQMT-IRLDBZIGSA-N 2 2 395.551 3.557 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c(C)c1 ZINC000433958487 845668397 /nfs/dbraw/zinc/66/83/97/845668397.db2.gz OOBWVPPYKOQQMT-IRLDBZIGSA-N 2 2 395.551 3.557 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000280284227 846351123 /nfs/dbraw/zinc/35/11/23/846351123.db2.gz YSFIAWUPEXWQTQ-CQSZACIVSA-N 2 2 389.546 3.887 20 0 GHADLP COc1ccc([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)c(F)c1 ZINC000421818977 846619521 /nfs/dbraw/zinc/61/95/21/846619521.db2.gz DKZAYIOXSFAANY-HSZRJFAPSA-N 2 2 384.495 3.907 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000422024016 846755331 /nfs/dbraw/zinc/75/53/31/846755331.db2.gz QHZJZGRBAUZUOD-HSZRJFAPSA-N 2 2 385.596 3.835 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000422024016 846755334 /nfs/dbraw/zinc/75/53/34/846755334.db2.gz QHZJZGRBAUZUOD-HSZRJFAPSA-N 2 2 385.596 3.835 20 0 GHADLP CCCC[C@H]1CCC[C@H]1NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422153225 846858941 /nfs/dbraw/zinc/85/89/41/846858941.db2.gz IVTHQIVAYDDREF-PZJWPPBQSA-N 2 2 378.605 3.547 20 0 GHADLP CCCC[C@H]1CCC[C@H]1NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422153225 846858947 /nfs/dbraw/zinc/85/89/47/846858947.db2.gz IVTHQIVAYDDREF-PZJWPPBQSA-N 2 2 378.605 3.547 20 0 GHADLP CCCN(C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CC[NH2+]CC1 ZINC000582348603 846916848 /nfs/dbraw/zinc/91/68/48/846916848.db2.gz FCFQETXYNDZJFA-UHFFFAOYSA-N 2 2 381.524 3.882 20 0 GHADLP c1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)CC2)cc1 ZINC000501446661 846933794 /nfs/dbraw/zinc/93/37/94/846933794.db2.gz BXZUWSQCSXPRCC-GGAORHGYSA-N 2 2 378.564 3.910 20 0 GHADLP C[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000420351494 847132963 /nfs/dbraw/zinc/13/29/63/847132963.db2.gz KHAIWLQYLLCDDH-LBPRGKRZSA-N 2 2 380.323 3.629 20 0 GHADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000420352069 847133738 /nfs/dbraw/zinc/13/37/38/847133738.db2.gz AKLNTCCELJTZIW-QUCCMNQESA-N 2 2 396.362 3.732 20 0 GHADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000420352069 847133742 /nfs/dbraw/zinc/13/37/42/847133742.db2.gz AKLNTCCELJTZIW-QUCCMNQESA-N 2 2 396.362 3.732 20 0 GHADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000420352067 847133916 /nfs/dbraw/zinc/13/39/16/847133916.db2.gz AKLNTCCELJTZIW-ICSRJNTNSA-N 2 2 396.362 3.732 20 0 GHADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000420352067 847133920 /nfs/dbraw/zinc/13/39/20/847133920.db2.gz AKLNTCCELJTZIW-ICSRJNTNSA-N 2 2 396.362 3.732 20 0 GHADLP [NH3+]C[C@H]([NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C1CCCCC1 ZINC000420366753 847142009 /nfs/dbraw/zinc/14/20/09/847142009.db2.gz MFEKBMZXOSHGOV-NZQKXSOJSA-N 2 2 397.588 3.719 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000420407399 847171199 /nfs/dbraw/zinc/17/11/99/847171199.db2.gz VEJFHOWUKVPFMU-IYOUNJFTSA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000420407399 847171206 /nfs/dbraw/zinc/17/12/06/847171206.db2.gz VEJFHOWUKVPFMU-IYOUNJFTSA-N 2 2 384.351 3.635 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)cc1OC ZINC000420409161 847173556 /nfs/dbraw/zinc/17/35/56/847173556.db2.gz WQLQTCSDHIPFLY-WMZOPIPTSA-N 2 2 387.549 3.791 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)cc1OC ZINC000420409161 847173560 /nfs/dbraw/zinc/17/35/60/847173560.db2.gz WQLQTCSDHIPFLY-WMZOPIPTSA-N 2 2 387.549 3.791 20 0 GHADLP Cc1cc(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc(C)[nH+]1 ZINC000420855424 847490506 /nfs/dbraw/zinc/49/05/06/847490506.db2.gz WLUCBBBRDOZTLC-UHFFFAOYSA-N 2 2 386.927 3.816 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000420911412 847531806 /nfs/dbraw/zinc/53/18/06/847531806.db2.gz GMNUZAOJGUCZDY-MBSDFSHPSA-N 2 2 384.495 3.620 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000420911412 847531812 /nfs/dbraw/zinc/53/18/12/847531812.db2.gz GMNUZAOJGUCZDY-MBSDFSHPSA-N 2 2 384.495 3.620 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000420911411 847531991 /nfs/dbraw/zinc/53/19/91/847531991.db2.gz GMNUZAOJGUCZDY-JPYJTQIMSA-N 2 2 384.495 3.620 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000420911411 847531996 /nfs/dbraw/zinc/53/19/96/847531996.db2.gz GMNUZAOJGUCZDY-JPYJTQIMSA-N 2 2 384.495 3.620 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3c(Cl)ccc(C)c3C)CC2)CC1 ZINC000421105111 847749387 /nfs/dbraw/zinc/74/93/87/847749387.db2.gz HAERUBVAGRNTFF-UHFFFAOYSA-N 2 2 392.975 3.981 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3c(Cl)ccc(C)c3C)CC2)CC1 ZINC000421105111 847749391 /nfs/dbraw/zinc/74/93/91/847749391.db2.gz HAERUBVAGRNTFF-UHFFFAOYSA-N 2 2 392.975 3.981 20 0 GHADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422733408 847788405 /nfs/dbraw/zinc/78/84/05/847788405.db2.gz QXYUMTUJSZMFAT-ORYQWCPZSA-N 2 2 391.481 3.828 20 0 GHADLP C[N@@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764232 847824028 /nfs/dbraw/zinc/82/40/28/847824028.db2.gz PPQWPIOXVBWYRS-QRTFOUQQSA-N 3 2 381.486 3.961 20 0 GHADLP C[N@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764232 847824034 /nfs/dbraw/zinc/82/40/34/847824034.db2.gz PPQWPIOXVBWYRS-QRTFOUQQSA-N 3 2 381.486 3.961 20 0 GHADLP COc1ccc([C@H](NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422823518 847841981 /nfs/dbraw/zinc/84/19/81/847841981.db2.gz DNJIJHIPNNEEDX-GOTSBHOMSA-N 2 2 376.504 3.523 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000422968807 847921610 /nfs/dbraw/zinc/92/16/10/847921610.db2.gz XTWXRLNYAMVPHS-YKSBVNFPSA-N 3 2 393.575 3.806 20 0 GHADLP COC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(OC)c1 ZINC000657611891 848325227 /nfs/dbraw/zinc/32/52/27/848325227.db2.gz HMDXBQOBWVEKHW-HSZRJFAPSA-N 2 2 386.511 3.819 20 0 GHADLP C[C@@H](CC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)n1cc[nH+]c1 ZINC000582790602 848383306 /nfs/dbraw/zinc/38/33/06/848383306.db2.gz VTLLPDIUVPEKRA-SFHVURJKSA-N 2 2 386.499 3.748 20 0 GHADLP COc1ccc(-n2cc(C[NH+]3CCC(Oc4cc[nH+]cc4C)CC3)cn2)cc1 ZINC000582885580 848625013 /nfs/dbraw/zinc/62/50/13/848625013.db2.gz VFGYRZVUDSIARW-UHFFFAOYSA-N 2 2 378.476 3.628 20 0 GHADLP Fc1ccccc1-c1n[nH]cc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192357326 861928841 /nfs/dbraw/zinc/92/88/41/861928841.db2.gz CMXLQJKGSWSNIQ-FQEVSTJZSA-N 2 2 394.494 3.597 20 0 GHADLP Fc1ccccc1-c1n[nH]cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192357326 861928849 /nfs/dbraw/zinc/92/88/49/861928849.db2.gz CMXLQJKGSWSNIQ-FQEVSTJZSA-N 2 2 394.494 3.597 20 0 GHADLP CC(C)C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccccn1 ZINC000162007750 848787100 /nfs/dbraw/zinc/78/71/00/848787100.db2.gz SQVXLKNMLNYJJI-QFIPXVFZSA-N 2 2 383.536 3.670 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1NC(C)=O ZINC000153669959 848891986 /nfs/dbraw/zinc/89/19/86/848891986.db2.gz GUFLBLRUYISRFQ-CQSZACIVSA-N 2 2 382.439 3.829 20 0 GHADLP Cc1ccccc1[C@H](CC(C)C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604199168 861966474 /nfs/dbraw/zinc/96/64/74/861966474.db2.gz KMEHTPKIFRAPRQ-UGKGYDQZSA-N 2 2 386.584 3.550 20 0 GHADLP Cc1ccccc1[C@H](CC(C)C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604199168 861966483 /nfs/dbraw/zinc/96/64/83/861966483.db2.gz KMEHTPKIFRAPRQ-UGKGYDQZSA-N 2 2 386.584 3.550 20 0 GHADLP CCCN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H](CC)c1ccccc1 ZINC000604208946 861993898 /nfs/dbraw/zinc/99/38/98/861993898.db2.gz KZKLNFYHRDHRDK-IRLDBZIGSA-N 2 2 386.584 3.728 20 0 GHADLP CCCN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H](CC)c1ccccc1 ZINC000604208946 861993906 /nfs/dbraw/zinc/99/39/06/861993906.db2.gz KZKLNFYHRDHRDK-IRLDBZIGSA-N 2 2 386.584 3.728 20 0 GHADLP c1ccc2nc(N3CCCCC3)c(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2c1 ZINC000657750178 849597753 /nfs/dbraw/zinc/59/77/53/849597753.db2.gz CHWXCQFQRHTASG-JOCHJYFZSA-N 2 2 394.563 3.568 20 0 GHADLP C[C@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423187410 849795104 /nfs/dbraw/zinc/79/51/04/849795104.db2.gz PHDYOZHDKBINTO-KXBFYZLASA-N 2 2 380.374 3.534 20 0 GHADLP C[C@H](NC1CC[NH+](Cc2cccc(Br)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423187410 849795109 /nfs/dbraw/zinc/79/51/09/849795109.db2.gz PHDYOZHDKBINTO-KXBFYZLASA-N 2 2 380.374 3.534 20 0 GHADLP CS(=O)(=O)c1cccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccc(Cl)cc2)c1 ZINC000423365690 849886430 /nfs/dbraw/zinc/88/64/30/849886430.db2.gz PKOQOLLZZIIMQZ-QUCCMNQESA-N 2 2 392.952 3.565 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000434999623 849969051 /nfs/dbraw/zinc/96/90/51/849969051.db2.gz IQQWMOUCNCNGOD-QFIPXVFZSA-N 2 2 390.487 3.978 20 0 GHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000434989829 849977770 /nfs/dbraw/zinc/97/77/70/849977770.db2.gz FRHWXVBPSQCKQH-AABGKKOBSA-N 2 2 377.532 3.714 20 0 GHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000434989829 849977775 /nfs/dbraw/zinc/97/77/75/849977775.db2.gz FRHWXVBPSQCKQH-AABGKKOBSA-N 2 2 377.532 3.714 20 0 GHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000434989829 849977780 /nfs/dbraw/zinc/97/77/80/849977780.db2.gz FRHWXVBPSQCKQH-AABGKKOBSA-N 2 2 377.532 3.714 20 0 GHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000434989829 849977783 /nfs/dbraw/zinc/97/77/83/849977783.db2.gz FRHWXVBPSQCKQH-AABGKKOBSA-N 2 2 377.532 3.714 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccc2c(c1)CCCC2 ZINC000434994525 849982148 /nfs/dbraw/zinc/98/21/48/849982148.db2.gz BUCOVHOFGQDAMO-IRXDYDNUSA-N 2 2 380.536 3.734 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)CC2)cc1 ZINC000434998028 849983769 /nfs/dbraw/zinc/98/37/69/849983769.db2.gz ZZAFPCCHSTWUIT-UHFFFAOYSA-N 2 2 394.563 3.769 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425286612 850145417 /nfs/dbraw/zinc/14/54/17/850145417.db2.gz UTYZZLPBUKRFSX-IRLDBZIGSA-N 2 2 388.515 3.570 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425286612 850145425 /nfs/dbraw/zinc/14/54/25/850145425.db2.gz UTYZZLPBUKRFSX-IRLDBZIGSA-N 2 2 388.515 3.570 20 0 GHADLP CN(C(=O)c1cc[nH]c1C1CCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486827019 850147597 /nfs/dbraw/zinc/14/75/97/850147597.db2.gz XLQWTDDWOANVMR-SFTDATJTSA-N 2 2 386.584 3.691 20 0 GHADLP CN(C(=O)c1cc[nH]c1C1CCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486827019 850147601 /nfs/dbraw/zinc/14/76/01/850147601.db2.gz XLQWTDDWOANVMR-SFTDATJTSA-N 2 2 386.584 3.691 20 0 GHADLP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C[C@H]2C1 ZINC000424314653 850356817 /nfs/dbraw/zinc/35/68/17/850356817.db2.gz OXPSPYRIKFLQLD-FHNDKLDSSA-N 2 2 391.987 3.645 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC(C)(C)C(=O)OC(C)(C)C ZINC000424325802 850363685 /nfs/dbraw/zinc/36/36/85/850363685.db2.gz MXZYHLLEDHHVGX-HKUYNNGSSA-N 2 2 375.557 3.640 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC(C)(C)C(=O)OC(C)(C)C ZINC000424325802 850363698 /nfs/dbraw/zinc/36/36/98/850363698.db2.gz MXZYHLLEDHHVGX-HKUYNNGSSA-N 2 2 375.557 3.640 20 0 GHADLP CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000504890600 850419222 /nfs/dbraw/zinc/41/92/22/850419222.db2.gz BPSOVFURLJIMES-HSZRJFAPSA-N 2 2 388.515 3.668 20 0 GHADLP CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000504890600 850419231 /nfs/dbraw/zinc/41/92/31/850419231.db2.gz BPSOVFURLJIMES-HSZRJFAPSA-N 2 2 388.515 3.668 20 0 GHADLP CC[N@H+](Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000435390691 850456166 /nfs/dbraw/zinc/45/61/66/850456166.db2.gz PVUHIVBWQSMJDU-MRXNPFEDSA-N 2 2 377.330 3.803 20 0 GHADLP CC[N@@H+](Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000435390691 850456172 /nfs/dbraw/zinc/45/61/72/850456172.db2.gz PVUHIVBWQSMJDU-MRXNPFEDSA-N 2 2 377.330 3.803 20 0 GHADLP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000424435713 850468590 /nfs/dbraw/zinc/46/85/90/850468590.db2.gz LTKOOIPYGNOKKE-LEWJYISDSA-N 2 2 375.476 3.701 20 0 GHADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000732243687 862150184 /nfs/dbraw/zinc/15/01/84/862150184.db2.gz RQAPPNQQZOCHFQ-GOSISDBHSA-N 2 2 383.540 3.572 20 0 GHADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000732243687 862150189 /nfs/dbraw/zinc/15/01/89/862150189.db2.gz RQAPPNQQZOCHFQ-GOSISDBHSA-N 2 2 383.540 3.572 20 0 GHADLP CC[C@H](Cc1ccccc1C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000424682575 850614768 /nfs/dbraw/zinc/61/47/68/850614768.db2.gz DSNAPRHRWOHHGX-OAQYLSRUSA-N 2 2 385.596 3.630 20 0 GHADLP Cc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000515259071 850835163 /nfs/dbraw/zinc/83/51/63/850835163.db2.gz LNSYRXIYYAAHEI-SFTDATJTSA-N 2 2 391.625 3.785 20 0 GHADLP Cc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000515259071 850835170 /nfs/dbraw/zinc/83/51/70/850835170.db2.gz LNSYRXIYYAAHEI-SFTDATJTSA-N 2 2 391.625 3.785 20 0 GHADLP CC[C@@H]1C[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000647938764 850988714 /nfs/dbraw/zinc/98/87/14/850988714.db2.gz UGOAPGRQOUFBMT-NQIIRXRSSA-N 2 2 375.532 3.546 20 0 GHADLP CC[C@@H]1C[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000647938764 850988719 /nfs/dbraw/zinc/98/87/19/850988719.db2.gz UGOAPGRQOUFBMT-NQIIRXRSSA-N 2 2 375.532 3.546 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000515534950 851142696 /nfs/dbraw/zinc/14/26/96/851142696.db2.gz VLFPTZXCOIJSJC-CTNGQTDRSA-N 2 2 397.567 3.530 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000515534950 851142700 /nfs/dbraw/zinc/14/27/00/851142700.db2.gz VLFPTZXCOIJSJC-CTNGQTDRSA-N 2 2 397.567 3.530 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(I)c(Cl)c1 ZINC000436094775 851213130 /nfs/dbraw/zinc/21/31/30/851213130.db2.gz WKYVVOPQSQRDPF-UHFFFAOYSA-N 2 2 389.668 3.663 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(I)c(Cl)c1 ZINC000436094775 851213141 /nfs/dbraw/zinc/21/31/41/851213141.db2.gz WKYVVOPQSQRDPF-UHFFFAOYSA-N 2 2 389.668 3.663 20 0 GHADLP COCC[NH+]1CCC(Nc2cc(C)[nH+]c3c(OC(F)(F)F)cccc23)CC1 ZINC000522647633 862231718 /nfs/dbraw/zinc/23/17/18/862231718.db2.gz YNRRSESKFRXCLV-UHFFFAOYSA-N 2 2 383.414 3.965 20 0 GHADLP c1ccc([C@@H]2CC[C@@H]([NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)cc1 ZINC000436286733 851408836 /nfs/dbraw/zinc/40/88/36/851408836.db2.gz SVPBREGAYFYYBP-DHIUTWEWSA-N 2 2 380.532 3.824 20 0 GHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 ZINC000414850479 851479173 /nfs/dbraw/zinc/47/91/73/851479173.db2.gz SIOFTELSGPRTMS-LJQANCHMSA-N 2 2 378.476 3.718 20 0 GHADLP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1nc(-c2ccccc2)cs1 ZINC000488423747 851484601 /nfs/dbraw/zinc/48/46/01/851484601.db2.gz YFKGBPZEEUKFPG-UHFFFAOYSA-N 2 2 384.549 3.556 20 0 GHADLP O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000101545116 851659037 /nfs/dbraw/zinc/65/90/37/851659037.db2.gz CBWCQWYKUNCDJM-QGZVFWFLSA-N 2 2 395.894 3.771 20 0 GHADLP O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000101545116 851659047 /nfs/dbraw/zinc/65/90/47/851659047.db2.gz CBWCQWYKUNCDJM-QGZVFWFLSA-N 2 2 395.894 3.771 20 0 GHADLP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1NCC1([NH+](C)C)CCOCC1 ZINC000303834220 851708647 /nfs/dbraw/zinc/70/86/47/851708647.db2.gz HVAXVLPMCYLULB-UHFFFAOYSA-N 2 2 385.508 3.551 20 0 GHADLP CC1(C)C[NH+](CCOCC[N@H+]2CC(C)(C)[C@H]2c2ccncc2)[C@@H]1c1ccncc1 ZINC000664831394 851710499 /nfs/dbraw/zinc/71/04/99/851710499.db2.gz CZPFTQUEYJKBFL-FGZHOGPDSA-N 2 2 394.563 3.959 20 0 GHADLP CC1(C)C[NH+](CCOCC[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)[C@@H]1c1ccncc1 ZINC000664831394 851710507 /nfs/dbraw/zinc/71/05/07/851710507.db2.gz CZPFTQUEYJKBFL-FGZHOGPDSA-N 2 2 394.563 3.959 20 0 GHADLP Cc1cc(NC(=O)C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000664838627 851877644 /nfs/dbraw/zinc/87/76/44/851877644.db2.gz UACFSTWLPUCSMF-JOCHJYFZSA-N 2 2 396.535 3.544 20 0 GHADLP Cc1cc(NC(=O)C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000664838627 851877651 /nfs/dbraw/zinc/87/76/51/851877651.db2.gz UACFSTWLPUCSMF-JOCHJYFZSA-N 2 2 396.535 3.544 20 0 GHADLP C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838602 851881795 /nfs/dbraw/zinc/88/17/95/851881795.db2.gz VFASHSFEZIAPSC-UWJYYQICSA-N 2 2 394.567 3.692 20 0 GHADLP C[C@@H](c1nnnn1C1CC1)[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838602 851881801 /nfs/dbraw/zinc/88/18/01/851881801.db2.gz VFASHSFEZIAPSC-UWJYYQICSA-N 2 2 394.567 3.692 20 0 GHADLP C[N@H+](Cc1cccc(Br)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940382 851928175 /nfs/dbraw/zinc/92/81/75/851928175.db2.gz WRSKFOSAEVRJOO-FQEVSTJZSA-N 2 2 389.337 3.518 20 0 GHADLP C[N@@H+](Cc1cccc(Br)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940382 851928185 /nfs/dbraw/zinc/92/81/85/851928185.db2.gz WRSKFOSAEVRJOO-FQEVSTJZSA-N 2 2 389.337 3.518 20 0 GHADLP C[NH+](Cc1cccc(Br)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425940382 851928194 /nfs/dbraw/zinc/92/81/94/851928194.db2.gz WRSKFOSAEVRJOO-FQEVSTJZSA-N 2 2 389.337 3.518 20 0 GHADLP C[NH+](Cc1cccc(Br)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425940382 851928203 /nfs/dbraw/zinc/92/82/03/851928203.db2.gz WRSKFOSAEVRJOO-FQEVSTJZSA-N 2 2 389.337 3.518 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1cccc2ccccc21 ZINC000550237969 852074279 /nfs/dbraw/zinc/07/42/79/852074279.db2.gz JOJIQUPCQJKNLT-AXHZCLLHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1cccc2ccccc21 ZINC000550237969 852074289 /nfs/dbraw/zinc/07/42/89/852074289.db2.gz JOJIQUPCQJKNLT-AXHZCLLHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1cccc2ccccc21 ZINC000550237969 852074300 /nfs/dbraw/zinc/07/43/00/852074300.db2.gz JOJIQUPCQJKNLT-AXHZCLLHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1cccc2ccccc21 ZINC000550237969 852074311 /nfs/dbraw/zinc/07/43/11/852074311.db2.gz JOJIQUPCQJKNLT-AXHZCLLHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1cccc2ccccc21 ZINC000550237971 852074481 /nfs/dbraw/zinc/07/44/81/852074481.db2.gz JOJIQUPCQJKNLT-JXQFQVJHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1cccc2ccccc21 ZINC000550237971 852074491 /nfs/dbraw/zinc/07/44/91/852074491.db2.gz JOJIQUPCQJKNLT-JXQFQVJHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1cccc2ccccc21 ZINC000550237971 852074494 /nfs/dbraw/zinc/07/44/94/852074494.db2.gz JOJIQUPCQJKNLT-JXQFQVJHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1cccc2ccccc21 ZINC000550237971 852074499 /nfs/dbraw/zinc/07/44/99/852074499.db2.gz JOJIQUPCQJKNLT-JXQFQVJHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000604582740 862321109 /nfs/dbraw/zinc/32/11/09/862321109.db2.gz SMLVDILSLVZFOZ-NQIIRXRSSA-N 2 2 389.503 3.507 20 0 GHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000604582740 862321128 /nfs/dbraw/zinc/32/11/28/862321128.db2.gz SMLVDILSLVZFOZ-NQIIRXRSSA-N 2 2 389.503 3.507 20 0 GHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000604582741 862321987 /nfs/dbraw/zinc/32/19/87/862321987.db2.gz SMLVDILSLVZFOZ-RXVVDRJESA-N 2 2 389.503 3.507 20 0 GHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000604582741 862322002 /nfs/dbraw/zinc/32/20/02/862322002.db2.gz SMLVDILSLVZFOZ-RXVVDRJESA-N 2 2 389.503 3.507 20 0 GHADLP CC[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000438274863 852195023 /nfs/dbraw/zinc/19/50/23/852195023.db2.gz XTLXRFTZZQIJKK-IBGZPJMESA-N 2 2 399.501 3.683 20 0 GHADLP CC[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000438274863 852195028 /nfs/dbraw/zinc/19/50/28/852195028.db2.gz XTLXRFTZZQIJKK-IBGZPJMESA-N 2 2 399.501 3.683 20 0 GHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000604655176 862373001 /nfs/dbraw/zinc/37/30/01/862373001.db2.gz HQOOAFNFLZJRED-SFHVURJKSA-N 2 2 391.519 3.801 20 0 GHADLP Cc1ccc([C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c2ccccc2)cc1 ZINC000490145293 852791116 /nfs/dbraw/zinc/79/11/16/852791116.db2.gz SPEJXZFLVFDKKR-GOTSBHOMSA-N 2 2 379.548 3.617 20 0 GHADLP Cc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c2ccccc2)cc1 ZINC000490145293 852791121 /nfs/dbraw/zinc/79/11/21/852791121.db2.gz SPEJXZFLVFDKKR-GOTSBHOMSA-N 2 2 379.548 3.617 20 0 GHADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)[C@H](C)C2 ZINC000490158236 852797294 /nfs/dbraw/zinc/79/72/94/852797294.db2.gz QUBPWKJPZKQWCP-DVECYGJZSA-N 2 2 380.532 3.729 20 0 GHADLP C[N@H+](CC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)Cc1ccccc1 ZINC000507400480 852893698 /nfs/dbraw/zinc/89/36/98/852893698.db2.gz GBULTKJLQYEJAS-UHFFFAOYSA-N 2 2 396.922 3.697 20 0 GHADLP C[N@@H+](CC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)Cc1ccccc1 ZINC000507400480 852893702 /nfs/dbraw/zinc/89/37/02/852893702.db2.gz GBULTKJLQYEJAS-UHFFFAOYSA-N 2 2 396.922 3.697 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=S)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000732721813 862452557 /nfs/dbraw/zinc/45/25/57/862452557.db2.gz VSFSNRIJFSFYAH-IBGZPJMESA-N 2 2 394.588 3.809 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=S)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000732721813 862452560 /nfs/dbraw/zinc/45/25/60/862452560.db2.gz VSFSNRIJFSFYAH-IBGZPJMESA-N 2 2 394.588 3.809 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc(OC)c1O ZINC000519666979 853374300 /nfs/dbraw/zinc/37/43/00/853374300.db2.gz CUYFPFWHSCMIGD-SFTDATJTSA-N 2 2 396.531 3.896 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc(OC)c1O ZINC000519666979 853374302 /nfs/dbraw/zinc/37/43/02/853374302.db2.gz CUYFPFWHSCMIGD-SFTDATJTSA-N 2 2 396.531 3.896 20 0 GHADLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc(OC)c1O ZINC000519666979 853374310 /nfs/dbraw/zinc/37/43/10/853374310.db2.gz CUYFPFWHSCMIGD-SFTDATJTSA-N 2 2 396.531 3.896 20 0 GHADLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc(OC)c1O ZINC000519666979 853374319 /nfs/dbraw/zinc/37/43/19/853374319.db2.gz CUYFPFWHSCMIGD-SFTDATJTSA-N 2 2 396.531 3.896 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3ccc(NC(C)=O)cc3)CC1)CC2 ZINC000519864979 853564409 /nfs/dbraw/zinc/56/44/09/853564409.db2.gz INXRIJBHDSDLKT-DEOSSOPVSA-N 2 2 393.531 3.895 20 0 GHADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623869697 862486701 /nfs/dbraw/zinc/48/67/01/862486701.db2.gz GUTKHOHSGNOGJO-SFHVURJKSA-N 2 2 398.532 3.815 20 0 GHADLP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000571080100 853733927 /nfs/dbraw/zinc/73/39/27/853733927.db2.gz NSAFDLOWKFGPPK-IFXJQAMLSA-N 2 2 389.902 3.893 20 0 GHADLP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000571080100 853733933 /nfs/dbraw/zinc/73/39/33/853733933.db2.gz NSAFDLOWKFGPPK-IFXJQAMLSA-N 2 2 389.902 3.893 20 0 GHADLP [NH3+][C@H](CCC(=O)Nc1ccccc1OCCn1cc[nH+]c1)CC1CCCCC1 ZINC000571448958 853879927 /nfs/dbraw/zinc/87/99/27/853879927.db2.gz DGPJIWKQGRTNEJ-LJQANCHMSA-N 2 2 384.524 3.979 20 0 GHADLP Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)sc1C ZINC000441387193 854169522 /nfs/dbraw/zinc/16/95/22/854169522.db2.gz QVXVBADBRFLHQE-LPHOPBHVSA-N 2 2 397.548 3.931 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441417993 854199067 /nfs/dbraw/zinc/19/90/67/854199067.db2.gz HNAJPTJKYAQSTE-WNOPAQSVSA-N 2 2 395.591 3.762 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441417993 854199071 /nfs/dbraw/zinc/19/90/71/854199071.db2.gz HNAJPTJKYAQSTE-WNOPAQSVSA-N 2 2 395.591 3.762 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441417993 854199078 /nfs/dbraw/zinc/19/90/78/854199078.db2.gz HNAJPTJKYAQSTE-WNOPAQSVSA-N 2 2 395.591 3.762 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441417993 854199082 /nfs/dbraw/zinc/19/90/82/854199082.db2.gz HNAJPTJKYAQSTE-WNOPAQSVSA-N 2 2 395.591 3.762 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441417991 854199597 /nfs/dbraw/zinc/19/95/97/854199597.db2.gz HNAJPTJKYAQSTE-UCFCWBNQSA-N 2 2 395.591 3.762 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441417991 854199599 /nfs/dbraw/zinc/19/95/99/854199599.db2.gz HNAJPTJKYAQSTE-UCFCWBNQSA-N 2 2 395.591 3.762 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441417991 854199601 /nfs/dbraw/zinc/19/96/01/854199601.db2.gz HNAJPTJKYAQSTE-UCFCWBNQSA-N 2 2 395.591 3.762 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441417991 854199602 /nfs/dbraw/zinc/19/96/02/854199602.db2.gz HNAJPTJKYAQSTE-UCFCWBNQSA-N 2 2 395.591 3.762 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000156766365 854255088 /nfs/dbraw/zinc/25/50/88/854255088.db2.gz WVVSFTGBSUEKEV-PXNSSMCTSA-N 2 2 388.556 3.596 20 0 GHADLP c1[nH+]cn2c1c(N1CCC([NH2+]CCOc3ccccc3)CC1)nc1ccccc12 ZINC000623983675 862567009 /nfs/dbraw/zinc/56/70/09/862567009.db2.gz IOPOBFQOSVTAOS-UHFFFAOYSA-N 2 2 387.487 3.520 20 0 GHADLP C[C@]1(C[N@@H+]2CCC[C@H]2c2nc(-c3ccccc3Br)no2)CC[NH2+]C1 ZINC000262085330 854491778 /nfs/dbraw/zinc/49/17/78/854491778.db2.gz UGIGYQFDOJNMNH-YJBOKZPZSA-N 2 2 391.313 3.636 20 0 GHADLP C[C@]1(C[N@H+]2CCC[C@H]2c2nc(-c3ccccc3Br)no2)CC[NH2+]C1 ZINC000262085330 854491780 /nfs/dbraw/zinc/49/17/80/854491780.db2.gz UGIGYQFDOJNMNH-YJBOKZPZSA-N 2 2 391.313 3.636 20 0 GHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H]2C[N@@H+]4CCC[C@@H]4CO2)CCC3)cc1 ZINC000765789675 854820384 /nfs/dbraw/zinc/82/03/84/854820384.db2.gz CQCFZIQXAOEMKU-NZSAHSFTSA-N 2 2 399.560 3.649 20 0 GHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H]2C[N@H+]4CCC[C@@H]4CO2)CCC3)cc1 ZINC000765789675 854820389 /nfs/dbraw/zinc/82/03/89/854820389.db2.gz CQCFZIQXAOEMKU-NZSAHSFTSA-N 2 2 399.560 3.649 20 0 GHADLP C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC001128011905 854824934 /nfs/dbraw/zinc/82/49/34/854824934.db2.gz UUWQDHCEMJRMDT-PXIKZMAHSA-N 2 2 377.617 3.854 20 0 GHADLP C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC001128011905 854824940 /nfs/dbraw/zinc/82/49/40/854824940.db2.gz UUWQDHCEMJRMDT-PXIKZMAHSA-N 2 2 377.617 3.854 20 0 GHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765792924 854827104 /nfs/dbraw/zinc/82/71/04/854827104.db2.gz USUJBBCVJWADOY-MORSLUCNSA-N 2 2 375.513 3.771 20 0 GHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000765792924 854827109 /nfs/dbraw/zinc/82/71/09/854827109.db2.gz USUJBBCVJWADOY-MORSLUCNSA-N 2 2 375.513 3.771 20 0 GHADLP C[C@H](OC[C@@H](O)C[NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000572714554 854947263 /nfs/dbraw/zinc/94/72/63/854947263.db2.gz PLTGOIMKDZJWCJ-JXFKEZNVSA-N 2 2 385.895 3.754 20 0 GHADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000482035618 862629826 /nfs/dbraw/zinc/62/98/26/862629826.db2.gz AYWQWDQXCKYPQK-ROUUACIJSA-N 2 2 386.367 3.977 20 0 GHADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000482035618 862629839 /nfs/dbraw/zinc/62/98/39/862629839.db2.gz AYWQWDQXCKYPQK-ROUUACIJSA-N 2 2 386.367 3.977 20 0 GHADLP Fc1ccc(Cn2cc(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)cn2)cc1 ZINC000189034966 855012990 /nfs/dbraw/zinc/01/29/90/855012990.db2.gz CJNXEYPIBCNPLF-UHFFFAOYSA-N 2 2 375.451 3.605 20 0 GHADLP Cc1ccc2cc(C[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)ccc2n1 ZINC000189284730 855057534 /nfs/dbraw/zinc/05/75/34/855057534.db2.gz GVIGQOZXGQCLJC-UHFFFAOYSA-N 2 2 391.515 3.544 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000482049976 862642361 /nfs/dbraw/zinc/64/23/61/862642361.db2.gz QEEVTRRLGUHXLI-GOTSBHOMSA-N 2 2 379.548 3.503 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000482049976 862642369 /nfs/dbraw/zinc/64/23/69/862642369.db2.gz QEEVTRRLGUHXLI-GOTSBHOMSA-N 2 2 379.548 3.503 20 0 GHADLP O=C([C@H](c1ccccc1)[NH+]1CCC(Nc2cccc[nH+]2)CC1)N1CCCCC1 ZINC000536370126 855154217 /nfs/dbraw/zinc/15/42/17/855154217.db2.gz LTBLKDRPTRDEPM-QFIPXVFZSA-N 2 2 378.520 3.712 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2CNc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000536423276 855443528 /nfs/dbraw/zinc/44/35/28/855443528.db2.gz VWOCCISPGBAXFZ-UHFFFAOYSA-N 2 2 381.911 3.890 20 0 GHADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000459118511 855778465 /nfs/dbraw/zinc/77/84/65/855778465.db2.gz LURREUODQYAUBY-DUXKGJEZSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000459118511 855778480 /nfs/dbraw/zinc/77/84/80/855778480.db2.gz LURREUODQYAUBY-DUXKGJEZSA-N 2 2 378.605 3.544 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](Cc3cccs3)C2)[C@H](C)C1 ZINC000482121811 862731914 /nfs/dbraw/zinc/73/19/14/862731914.db2.gz LYUFFTGQUVOVSJ-SJBKTWHCSA-N 3 2 393.641 3.687 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](Cc3cccs3)C2)[C@H](C)C1 ZINC000482121811 862731926 /nfs/dbraw/zinc/73/19/26/862731926.db2.gz LYUFFTGQUVOVSJ-SJBKTWHCSA-N 3 2 393.641 3.687 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@H](C)C1 ZINC000482121811 862731934 /nfs/dbraw/zinc/73/19/34/862731934.db2.gz LYUFFTGQUVOVSJ-SJBKTWHCSA-N 3 2 393.641 3.687 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H](C)C1 ZINC000482121811 862731945 /nfs/dbraw/zinc/73/19/45/862731945.db2.gz LYUFFTGQUVOVSJ-SJBKTWHCSA-N 3 2 393.641 3.687 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000591422452 855970486 /nfs/dbraw/zinc/97/04/86/855970486.db2.gz RJDJPRYCWGNJDW-QFIPXVFZSA-N 2 2 376.504 3.631 20 0 GHADLP Fc1cccc(OC2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)c1 ZINC000528573029 856048107 /nfs/dbraw/zinc/04/81/07/856048107.db2.gz WUMAPNIGARWXRM-UHFFFAOYSA-N 2 2 384.495 3.701 20 0 GHADLP COc1cccc(NC(=O)C[C@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000895110402 856093982 /nfs/dbraw/zinc/09/39/82/856093982.db2.gz KXBRTISGWFKSMK-LNLFQRSKSA-N 2 2 382.508 3.584 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000057843733 856235619 /nfs/dbraw/zinc/23/56/19/856235619.db2.gz NPJIWKGMEYBPQZ-UHFFFAOYSA-N 2 2 387.474 3.747 20 0 GHADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000057843733 856235627 /nfs/dbraw/zinc/23/56/27/856235627.db2.gz NPJIWKGMEYBPQZ-UHFFFAOYSA-N 2 2 387.474 3.747 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)sc1-c1ccccc1 ZINC000654774029 856327703 /nfs/dbraw/zinc/32/77/03/856327703.db2.gz RPVOPPPDSKSFHP-FQEVSTJZSA-N 2 2 397.588 3.964 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)sc1-c1ccccc1 ZINC000654774029 856327714 /nfs/dbraw/zinc/32/77/14/856327714.db2.gz RPVOPPPDSKSFHP-FQEVSTJZSA-N 2 2 397.588 3.964 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000780563724 856347237 /nfs/dbraw/zinc/34/72/37/856347237.db2.gz XXHFGINSOJUXMR-OAHLLOKOSA-N 2 2 376.526 3.813 20 0 GHADLP CC[N@H+](C)C1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)CC1 ZINC001168575729 856539487 /nfs/dbraw/zinc/53/94/87/856539487.db2.gz YGVAQEBPIKIRFE-CVEARBPZSA-N 2 2 393.494 3.733 20 0 GHADLP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)CC1 ZINC001168575729 856539556 /nfs/dbraw/zinc/53/95/56/856539556.db2.gz YGVAQEBPIKIRFE-CVEARBPZSA-N 2 2 393.494 3.733 20 0 GHADLP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000605165599 862818231 /nfs/dbraw/zinc/81/82/31/862818231.db2.gz LREJSXWWSNKLEF-PKOBYXMFSA-N 2 2 378.442 3.977 20 0 GHADLP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000605165599 862818245 /nfs/dbraw/zinc/81/82/45/862818245.db2.gz LREJSXWWSNKLEF-PKOBYXMFSA-N 2 2 378.442 3.977 20 0 GHADLP CC(C)C[C@H](CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000675196543 857080394 /nfs/dbraw/zinc/08/03/94/857080394.db2.gz CCCJWDSFJRWXCE-KSEOMHKRSA-N 2 2 397.567 3.995 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000665257780 857159806 /nfs/dbraw/zinc/15/98/06/857159806.db2.gz USNUCDLGZVBTDX-JJEOQYAHSA-N 3 2 385.527 3.562 20 0 GHADLP CCCC[C@@H]1CCC[C@@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465943683 857165523 /nfs/dbraw/zinc/16/55/23/857165523.db2.gz QELQYAKFFBIRJQ-UXHICEINSA-N 2 2 378.605 3.595 20 0 GHADLP COc1ccc([C@H]2C[C@@H]([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CCO2)cc1 ZINC001168582400 857240942 /nfs/dbraw/zinc/24/09/42/857240942.db2.gz DRMADNPBZJYAPP-LADGPHEKSA-N 2 2 396.531 3.537 20 0 GHADLP Cc1cc(Br)cc2c1[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CC2 ZINC000658296786 857278073 /nfs/dbraw/zinc/27/80/73/857278073.db2.gz VWEOJNVXPIKTQO-ROUUACIJSA-N 2 2 379.342 3.588 20 0 GHADLP CC(C[NH+]1CCCC[C@@H]1c1ccnn1C)C[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000281230002 862897912 /nfs/dbraw/zinc/89/79/12/862897912.db2.gz CEVNZWGOFHCURP-FGZHOGPDSA-N 2 2 384.572 3.544 20 0 GHADLP CC(C[NH+]1CCCC[C@@H]1c1ccnn1C)C[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000281230002 862897926 /nfs/dbraw/zinc/89/79/26/862897926.db2.gz CEVNZWGOFHCURP-FGZHOGPDSA-N 2 2 384.572 3.544 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188876 862908004 /nfs/dbraw/zinc/90/80/04/862908004.db2.gz KAQTXRFWLAIMGO-VQIMIIECSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624188876 862908012 /nfs/dbraw/zinc/90/80/12/862908012.db2.gz KAQTXRFWLAIMGO-VQIMIIECSA-N 2 2 377.960 3.684 20 0 GHADLP CC(C)(C)C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000593292537 857456223 /nfs/dbraw/zinc/45/62/23/857456223.db2.gz FEYPRIDPXOXOHF-WOJBJXKFSA-N 2 2 386.515 3.953 20 0 GHADLP CC(C)(C)C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000593292537 857456226 /nfs/dbraw/zinc/45/62/26/857456226.db2.gz FEYPRIDPXOXOHF-WOJBJXKFSA-N 2 2 386.515 3.953 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000593293280 857456356 /nfs/dbraw/zinc/45/63/56/857456356.db2.gz PDVBYDSRTBWCNP-UNMCSNQZSA-N 2 2 384.499 3.707 20 0 GHADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000593293280 857456360 /nfs/dbraw/zinc/45/63/60/857456360.db2.gz PDVBYDSRTBWCNP-UNMCSNQZSA-N 2 2 384.499 3.707 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000521063424 857573861 /nfs/dbraw/zinc/57/38/61/857573861.db2.gz UQIZCMXXPGUNAH-RXVVDRJESA-N 2 2 390.487 3.598 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000521063424 857573870 /nfs/dbraw/zinc/57/38/70/857573870.db2.gz UQIZCMXXPGUNAH-RXVVDRJESA-N 2 2 390.487 3.598 20 0 GHADLP C[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1cccc(-n2cnnn2)c1 ZINC000675894792 857651856 /nfs/dbraw/zinc/65/18/56/857651856.db2.gz OTTIUGIJMYJCOD-OALUTQOASA-N 2 2 390.535 3.977 20 0 GHADLP CC(C)CC[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000675886295 857661164 /nfs/dbraw/zinc/66/11/64/857661164.db2.gz QQDNKLUPJPGKGI-FCHUYYIVSA-N 2 2 394.003 3.813 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C2CCCCC2)cc1 ZINC000675886019 857661214 /nfs/dbraw/zinc/66/12/14/857661214.db2.gz LHYAWISKOBPCJN-YKSBVNFPSA-N 2 2 385.596 3.791 20 0 GHADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000675920513 857665135 /nfs/dbraw/zinc/66/51/35/857665135.db2.gz SLMQCJXUHXRLNN-DYESRHJHSA-N 2 2 392.503 3.719 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675920786 857665258 /nfs/dbraw/zinc/66/52/58/857665258.db2.gz KZQZUYFJGSYTST-UZLBHIALSA-N 2 2 380.467 3.850 20 0 GHADLP COc1ccc2c(c1)OCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000675903385 857669412 /nfs/dbraw/zinc/66/94/12/857669412.db2.gz DAQGQRWJEGNNOQ-QFIPXVFZSA-N 2 2 384.495 3.955 20 0 GHADLP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000574340031 857679741 /nfs/dbraw/zinc/67/97/41/857679741.db2.gz RKAOZGBDKIGGES-AOBSDOCKSA-N 2 2 380.479 3.878 20 0 GHADLP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000574340031 857679748 /nfs/dbraw/zinc/67/97/48/857679748.db2.gz RKAOZGBDKIGGES-AOBSDOCKSA-N 2 2 380.479 3.878 20 0 GHADLP CC1(C)C[C@H]([NH2+]CCCn2cc(Br)cn2)C[N@@H+]1Cc1ccccc1 ZINC000672804767 857725681 /nfs/dbraw/zinc/72/56/81/857725681.db2.gz UJYADASANIKUGM-SFHVURJKSA-N 2 2 391.357 3.678 20 0 GHADLP CC1(C)C[C@H]([NH2+]CCCn2cc(Br)cn2)C[N@H+]1Cc1ccccc1 ZINC000672804767 857725687 /nfs/dbraw/zinc/72/56/87/857725687.db2.gz UJYADASANIKUGM-SFHVURJKSA-N 2 2 391.357 3.678 20 0 GHADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000574463423 857864994 /nfs/dbraw/zinc/86/49/94/857864994.db2.gz WFRIJPBXYZOMSJ-KRWDZBQOSA-N 2 2 375.476 3.545 20 0 GHADLP c1cn(-c2ccnc(-c3nc(-c4ccccc4C[NH+]4CCCCC4)no3)c2)c[nH+]1 ZINC000569527810 858019638 /nfs/dbraw/zinc/01/96/38/858019638.db2.gz RHMWRQMWTKTLOH-UHFFFAOYSA-N 2 2 386.459 3.970 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1 ZINC000574561011 858083396 /nfs/dbraw/zinc/08/33/96/858083396.db2.gz AWOZUXFGUKUHTF-IBGZPJMESA-N 2 2 376.460 3.818 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3nccc4c3CCCC4)CC2)cc1 ZINC000922157804 858157540 /nfs/dbraw/zinc/15/75/40/858157540.db2.gz DMUMYXDVCBXRJO-UHFFFAOYSA-N 2 2 392.547 3.673 20 0 GHADLP CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544350234 858170722 /nfs/dbraw/zinc/17/07/22/858170722.db2.gz YKFXUFGNTVOGHF-MRXNPFEDSA-N 2 2 382.533 3.935 20 0 GHADLP CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544350234 858170733 /nfs/dbraw/zinc/17/07/33/858170733.db2.gz YKFXUFGNTVOGHF-MRXNPFEDSA-N 2 2 382.533 3.935 20 0 GHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000574819768 858331179 /nfs/dbraw/zinc/33/11/79/858331179.db2.gz KUBDSGODEWCPIS-GHTZIAJQSA-N 2 2 390.487 3.598 20 0 GHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000574819768 858331184 /nfs/dbraw/zinc/33/11/84/858331184.db2.gz KUBDSGODEWCPIS-GHTZIAJQSA-N 2 2 390.487 3.598 20 0 GHADLP CC[C@H](c1ccccc1)[N@H+](CC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000521823377 858356528 /nfs/dbraw/zinc/35/65/28/858356528.db2.gz RXECQRWLFJMSRQ-HSZRJFAPSA-N 2 2 395.547 3.931 20 0 GHADLP c1cc2n(n1)C[C@H](C[NH2+]Cc1ccccc1-c1ccc(Cn3cc[nH+]c3)cc1)CN2 ZINC000595147550 858427996 /nfs/dbraw/zinc/42/79/96/858427996.db2.gz VDMJIRBXRGKJEF-HXUWFJFHSA-N 2 2 398.514 3.626 20 0 GHADLP O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000761117698 858555944 /nfs/dbraw/zinc/55/59/44/858555944.db2.gz LQIKAVGTFXVPBJ-MRXNPFEDSA-N 2 2 396.318 3.705 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C1CCC(F)(F)CC1 ZINC000474054491 858722231 /nfs/dbraw/zinc/72/22/31/858722231.db2.gz FYBWHOHIHWEJSB-QGZVFWFLSA-N 2 2 382.495 3.701 20 0 GHADLP C[NH+](C)C[C@H](O)C[NH2+][C@H](Cc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000482654576 858735710 /nfs/dbraw/zinc/73/57/10/858735710.db2.gz JPMWSEGVMVRJDH-VQIMIIECSA-N 2 2 385.310 3.928 20 0 GHADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc2ccccc2s1 ZINC000184362969 858920679 /nfs/dbraw/zinc/92/06/79/858920679.db2.gz ZCROELWPVCKMHD-KRWDZBQOSA-N 2 2 394.544 3.686 20 0 GHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cnc3n2CCC3)cc1 ZINC000668155168 858952847 /nfs/dbraw/zinc/95/28/47/858952847.db2.gz GTUYFIGEKXYGBO-UHFFFAOYSA-N 2 2 379.508 3.517 20 0 GHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cnc3n2CCC3)cc1 ZINC000668155168 858952858 /nfs/dbraw/zinc/95/28/58/858952858.db2.gz GTUYFIGEKXYGBO-UHFFFAOYSA-N 2 2 379.508 3.517 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(-n2cccn2)c1 ZINC000429684506 859016697 /nfs/dbraw/zinc/01/66/97/859016697.db2.gz MUYMMQITEOZMAA-YKSBVNFPSA-N 2 2 390.531 3.814 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(-n2cccn2)c1 ZINC000429684506 859016705 /nfs/dbraw/zinc/01/67/05/859016705.db2.gz MUYMMQITEOZMAA-YKSBVNFPSA-N 2 2 390.531 3.814 20 0 GHADLP C[N@H+](CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CCCCC1 ZINC000443601124 859041837 /nfs/dbraw/zinc/04/18/37/859041837.db2.gz FMDCAKSUDIYRCZ-UHFFFAOYSA-N 2 2 393.535 3.988 20 0 GHADLP C[N@@H+](CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CCCCC1 ZINC000443601124 859041850 /nfs/dbraw/zinc/04/18/50/859041850.db2.gz FMDCAKSUDIYRCZ-UHFFFAOYSA-N 2 2 393.535 3.988 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)co2)cc1 ZINC000185673619 859116054 /nfs/dbraw/zinc/11/60/54/859116054.db2.gz GSQOFQJEPRFHGF-LPHOPBHVSA-N 2 2 397.519 3.871 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)co2)cc1 ZINC000185673619 859116058 /nfs/dbraw/zinc/11/60/58/859116058.db2.gz GSQOFQJEPRFHGF-LPHOPBHVSA-N 2 2 397.519 3.871 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)co2)cc1 ZINC000185673604 859116168 /nfs/dbraw/zinc/11/61/68/859116168.db2.gz GSQOFQJEPRFHGF-VQIMIIECSA-N 2 2 397.519 3.871 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)co2)cc1 ZINC000185673604 859116171 /nfs/dbraw/zinc/11/61/71/859116171.db2.gz GSQOFQJEPRFHGF-VQIMIIECSA-N 2 2 397.519 3.871 20 0 GHADLP Cc1c([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)nnn1-c1ccc(C)cc1 ZINC000483126412 859165901 /nfs/dbraw/zinc/16/59/01/859165901.db2.gz KZXSFBOMADIZTR-MRXNPFEDSA-N 2 2 381.499 3.936 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000191490498 859183085 /nfs/dbraw/zinc/18/30/85/859183085.db2.gz QMWCGNZPXGUQEB-UHFFFAOYSA-N 2 2 389.500 3.545 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000191490498 859183090 /nfs/dbraw/zinc/18/30/90/859183090.db2.gz QMWCGNZPXGUQEB-UHFFFAOYSA-N 2 2 389.500 3.545 20 0 GHADLP Cc1c2cc(F)ccc2sc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472114 859283486 /nfs/dbraw/zinc/28/34/86/859283486.db2.gz DKWXNPKWARIOAQ-QGZVFWFLSA-N 2 2 389.540 3.589 20 0 GHADLP Cc1c2cc(F)ccc2sc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472114 859283498 /nfs/dbraw/zinc/28/34/98/859283498.db2.gz DKWXNPKWARIOAQ-QGZVFWFLSA-N 2 2 389.540 3.589 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](c3ccccc3)C3CCCCC3)CC[C@@H]21 ZINC000483485114 859407877 /nfs/dbraw/zinc/40/78/77/859407877.db2.gz YZBMBILMQIYESD-GPXNEJASSA-N 2 2 383.580 3.840 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](c3ccccc3)C3CCCCC3)CC[C@@H]21 ZINC000483485114 859407881 /nfs/dbraw/zinc/40/78/81/859407881.db2.gz YZBMBILMQIYESD-GPXNEJASSA-N 2 2 383.580 3.840 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](c3ccccc3)C3CCCCC3)CC[C@@H]21 ZINC000483485114 859407885 /nfs/dbraw/zinc/40/78/85/859407885.db2.gz YZBMBILMQIYESD-GPXNEJASSA-N 2 2 383.580 3.840 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3ccccc3)C3CCCCC3)CC[C@@H]21 ZINC000483485114 859407889 /nfs/dbraw/zinc/40/78/89/859407889.db2.gz YZBMBILMQIYESD-GPXNEJASSA-N 2 2 383.580 3.840 20 0 GHADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117661062 859556725 /nfs/dbraw/zinc/55/67/25/859556725.db2.gz REQCMKJSZUBXQH-BRTIRZTQSA-N 2 2 386.499 3.798 20 0 GHADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117661062 859556732 /nfs/dbraw/zinc/55/67/32/859556732.db2.gz REQCMKJSZUBXQH-BRTIRZTQSA-N 2 2 386.499 3.798 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cnn(-c2ccccc2)c1 ZINC000765090039 859776164 /nfs/dbraw/zinc/77/61/64/859776164.db2.gz NQORPLYRVTUGMT-LJQANCHMSA-N 2 2 376.504 3.555 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3ncc4ccc(OCc5ccccc5)cc43)CC[C@@H]21 ZINC000765108263 859793939 /nfs/dbraw/zinc/79/39/39/859793939.db2.gz VRRMLRMOBPDMJJ-GMAHTHKFSA-N 2 2 390.531 3.989 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3ncc4ccc(OCc5ccccc5)cc43)CC[C@@H]21 ZINC000765108263 859793947 /nfs/dbraw/zinc/79/39/47/859793947.db2.gz VRRMLRMOBPDMJJ-GMAHTHKFSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3ncc4ccc(OCc5ccccc5)cc43)CC[C@@H]21 ZINC000765108263 859793955 /nfs/dbraw/zinc/79/39/55/859793955.db2.gz VRRMLRMOBPDMJJ-GMAHTHKFSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3ncc4ccc(OCc5ccccc5)cc43)CC[C@@H]21 ZINC000765108263 859793962 /nfs/dbraw/zinc/79/39/62/859793962.db2.gz VRRMLRMOBPDMJJ-GMAHTHKFSA-N 2 2 390.531 3.989 20 0 GHADLP Clc1cccc(-c2noc(CC[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)n2)c1 ZINC000114773054 859906482 /nfs/dbraw/zinc/90/64/82/859906482.db2.gz YKUZPCVIDWZBMP-UHFFFAOYSA-N 2 2 379.851 3.908 20 0 GHADLP CC[NH+](CC)[C@H](CN[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccco1 ZINC000765441499 859976384 /nfs/dbraw/zinc/97/63/84/859976384.db2.gz LTFHNLBEKPIZKW-XKCSPQBFSA-N 2 2 385.552 3.542 20 0 GHADLP CC[NH+](CC)[C@H](CN[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccco1 ZINC000765441499 859976387 /nfs/dbraw/zinc/97/63/87/859976387.db2.gz LTFHNLBEKPIZKW-XKCSPQBFSA-N 2 2 385.552 3.542 20 0 GHADLP [NH3+]CC[C@@H]1CN(c2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)c2ccccc21 ZINC001168548497 860329039 /nfs/dbraw/zinc/32/90/39/860329039.db2.gz HMPAPIAKLSQBSX-QZTJIDSGSA-N 3 2 375.520 3.935 20 0 GHADLP COC(=O)c1ccc([C@H](CO)[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001168036867 860332212 /nfs/dbraw/zinc/33/22/12/860332212.db2.gz XLNGNBYUYVZJSW-PNCHPQGNSA-N 2 2 396.531 3.538 20 0 GHADLP Brc1cscc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000285428921 860379993 /nfs/dbraw/zinc/37/99/93/860379993.db2.gz KIDGLJSKXSTXSW-UHFFFAOYSA-N 2 2 381.339 3.633 20 0 GHADLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cnn(-c2ccccc2)c1 ZINC000765682679 860403948 /nfs/dbraw/zinc/40/39/48/860403948.db2.gz KEPYQUOMOGSJFV-GBXCKJPGSA-N 2 2 389.547 3.512 20 0 GHADLP CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428954209 860506110 /nfs/dbraw/zinc/50/61/10/860506110.db2.gz LUOZJZNRMRLHRK-IAGOWNOFSA-N 2 2 396.626 3.577 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCc3cccnc3CC2)CCOCC1 ZINC000922744472 860548447 /nfs/dbraw/zinc/54/84/47/860548447.db2.gz YESKZASMCSPVBH-JOCHJYFZSA-N 2 2 379.548 3.600 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCc3cccnc3CC2)CCOCC1 ZINC000922744472 860548454 /nfs/dbraw/zinc/54/84/54/860548454.db2.gz YESKZASMCSPVBH-JOCHJYFZSA-N 2 2 379.548 3.600 20 0 GHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1Cl ZINC000026215852 860583818 /nfs/dbraw/zinc/58/38/18/860583818.db2.gz DBVGSWWVIVGSST-SFHVURJKSA-N 2 2 399.966 3.941 20 0 GHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1Cl ZINC000026215852 860583823 /nfs/dbraw/zinc/58/38/23/860583823.db2.gz DBVGSWWVIVGSST-SFHVURJKSA-N 2 2 399.966 3.941 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3csc(-c4ccoc4)n3)C2)ccn1 ZINC000856592538 881564275 /nfs/dbraw/zinc/56/42/75/881564275.db2.gz VFQQNQLFPNXOKF-FQEVSTJZSA-N 2 2 398.532 3.903 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3csc(-c4ccoc4)n3)C2)ccn1 ZINC000856592538 881564285 /nfs/dbraw/zinc/56/42/85/881564285.db2.gz VFQQNQLFPNXOKF-FQEVSTJZSA-N 2 2 398.532 3.903 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3csc(-c4ccoc4)n3)C2)ccn1 ZINC000856592538 881564296 /nfs/dbraw/zinc/56/42/96/881564296.db2.gz VFQQNQLFPNXOKF-FQEVSTJZSA-N 2 2 398.532 3.903 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)ccn1 ZINC000856592538 881564301 /nfs/dbraw/zinc/56/43/01/881564301.db2.gz VFQQNQLFPNXOKF-FQEVSTJZSA-N 2 2 398.532 3.903 20 0 GHADLP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000599321847 861059596 /nfs/dbraw/zinc/05/95/96/861059596.db2.gz USGFCAGEFKCMCD-SFHVURJKSA-N 2 2 395.572 3.621 20 0 GHADLP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000599321847 861059612 /nfs/dbraw/zinc/05/96/12/861059612.db2.gz USGFCAGEFKCMCD-SFHVURJKSA-N 2 2 395.572 3.621 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000429535614 881615164 /nfs/dbraw/zinc/61/51/64/881615164.db2.gz CAVABJNLRZBPGN-SFHVURJKSA-N 2 2 397.485 3.613 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000429535614 881615170 /nfs/dbraw/zinc/61/51/70/881615170.db2.gz CAVABJNLRZBPGN-SFHVURJKSA-N 2 2 397.485 3.613 20 0 GHADLP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000482551647 863295639 /nfs/dbraw/zinc/29/56/39/863295639.db2.gz HVUPLRDHYNBKQO-LJQANCHMSA-N 3 2 378.520 3.706 20 0 GHADLP Cc1cc([C@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)c(C)s1 ZINC000182741172 863342898 /nfs/dbraw/zinc/34/28/98/863342898.db2.gz BBYPKLGBSPYKPA-ZDUSSCGKSA-N 2 2 378.567 3.707 20 0 GHADLP Cc1cn2cc(NC(=O)N(CC[NH+](C)C)Cc3cccc(Cl)c3)ccc2[nH+]1 ZINC000606569497 863711511 /nfs/dbraw/zinc/71/15/11/863711511.db2.gz ABVSKVWNFFWIAX-UHFFFAOYSA-N 2 2 385.899 3.892 20 0 GHADLP C[N@H+](Cc1ccc2nc(NC(=O)NCCNc3cccc[nH+]3)sc2c1)C1CC1 ZINC000667611842 863975299 /nfs/dbraw/zinc/97/52/99/863975299.db2.gz DLJCSSFDSXLCDW-UHFFFAOYSA-N 2 2 396.520 3.519 20 0 GHADLP C[N@@H+](Cc1ccc2nc(NC(=O)NCCNc3cccc[nH+]3)sc2c1)C1CC1 ZINC000667611842 863975308 /nfs/dbraw/zinc/97/53/08/863975308.db2.gz DLJCSSFDSXLCDW-UHFFFAOYSA-N 2 2 396.520 3.519 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C4CCN(c5cccc[nH+]5)CC4)C[C@@H]3C2)cc1 ZINC000898522936 864090214 /nfs/dbraw/zinc/09/02/14/864090214.db2.gz VZXKFKZXGIXPFJ-ZDXQCDESSA-N 3 2 390.575 3.941 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CCN(c5cccc[nH+]5)CC4)C[C@@H]3C2)cc1 ZINC000898522936 864090230 /nfs/dbraw/zinc/09/02/30/864090230.db2.gz VZXKFKZXGIXPFJ-ZDXQCDESSA-N 3 2 390.575 3.941 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c1C ZINC000734271499 864109630 /nfs/dbraw/zinc/10/96/30/864109630.db2.gz ARJBVNHPRCERLD-OAQYLSRUSA-N 2 2 396.535 3.733 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000607279825 864235886 /nfs/dbraw/zinc/23/58/86/864235886.db2.gz OWPBCPGWVHVDSN-DAYGRLMNSA-N 2 2 381.923 3.605 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000607279825 864235895 /nfs/dbraw/zinc/23/58/95/864235895.db2.gz OWPBCPGWVHVDSN-DAYGRLMNSA-N 2 2 381.923 3.605 20 0 GHADLP COc1ccc2ccccc2c1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000607366231 864349011 /nfs/dbraw/zinc/34/90/11/864349011.db2.gz CBMQLPYIUGHODM-DEOSSOPVSA-N 2 2 376.500 3.575 20 0 GHADLP COc1ccc2ccccc2c1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366231 864349014 /nfs/dbraw/zinc/34/90/14/864349014.db2.gz CBMQLPYIUGHODM-DEOSSOPVSA-N 2 2 376.500 3.575 20 0 GHADLP COc1ccc2ccccc2c1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000607366234 864349342 /nfs/dbraw/zinc/34/93/42/864349342.db2.gz CBMQLPYIUGHODM-XMMPIXPASA-N 2 2 376.500 3.575 20 0 GHADLP COc1ccc2ccccc2c1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366234 864349359 /nfs/dbraw/zinc/34/93/59/864349359.db2.gz CBMQLPYIUGHODM-XMMPIXPASA-N 2 2 376.500 3.575 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cccc(OC3CCCC3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366529 864353631 /nfs/dbraw/zinc/35/36/31/864353631.db2.gz NBJAUWUARYTMMB-XMMPIXPASA-N 2 2 380.532 3.735 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cccc(OC3CCCC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366529 864353641 /nfs/dbraw/zinc/35/36/41/864353641.db2.gz NBJAUWUARYTMMB-XMMPIXPASA-N 2 2 380.532 3.735 20 0 GHADLP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000554564674 864535247 /nfs/dbraw/zinc/53/52/47/864535247.db2.gz OMDWRBWHUXXGSV-OAQYLSRUSA-N 2 2 394.563 3.985 20 0 GHADLP CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000554564674 864535256 /nfs/dbraw/zinc/53/52/56/864535256.db2.gz OMDWRBWHUXXGSV-OAQYLSRUSA-N 2 2 394.563 3.985 20 0 GHADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)N1CCN(c2ccccc2)CC1 ZINC000480617011 864954092 /nfs/dbraw/zinc/95/40/92/864954092.db2.gz NJOXGBLXXXNABH-SFTDATJTSA-N 2 2 389.547 3.734 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@H](C3CC3)[N@H+](C)Cc3ccccc3)ccc2[nH+]1 ZINC000480604431 864961825 /nfs/dbraw/zinc/96/18/25/864961825.db2.gz BLQRTDRWRDIHGN-HXUWFJFHSA-N 2 2 377.492 3.675 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@H](C3CC3)[N@@H+](C)Cc3ccccc3)ccc2[nH+]1 ZINC000480604431 864961830 /nfs/dbraw/zinc/96/18/30/864961830.db2.gz BLQRTDRWRDIHGN-HXUWFJFHSA-N 2 2 377.492 3.675 20 0 GHADLP COc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(OC)c1OC ZINC000608076244 864967050 /nfs/dbraw/zinc/96/70/50/864967050.db2.gz YSIIVYPUQCIUOF-SFHVURJKSA-N 2 2 381.476 3.520 20 0 GHADLP Cc1ccccc1CN(C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000554844399 865003923 /nfs/dbraw/zinc/00/39/23/865003923.db2.gz WIEWMFCDOYZNER-HSZRJFAPSA-N 2 2 393.575 3.844 20 0 GHADLP Cc1ccccc1CN(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554844399 865003932 /nfs/dbraw/zinc/00/39/32/865003932.db2.gz WIEWMFCDOYZNER-HSZRJFAPSA-N 2 2 393.575 3.844 20 0 GHADLP Cc1ccc(N2CC[NH+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)CC2)nc1 ZINC001168064958 865048392 /nfs/dbraw/zinc/04/83/92/865048392.db2.gz SUQBBQKJDAKWCV-NHCUHLMSSA-N 2 2 378.564 3.954 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001170423270 881830470 /nfs/dbraw/zinc/83/04/70/881830470.db2.gz CRVMUHOQWXBMFZ-HXUWFJFHSA-N 2 2 396.531 3.999 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000667734908 865143552 /nfs/dbraw/zinc/14/35/52/865143552.db2.gz BRPSXPZMEQOVSO-MOPGFXCFSA-N 2 2 390.890 3.895 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000667734908 865143556 /nfs/dbraw/zinc/14/35/56/865143556.db2.gz BRPSXPZMEQOVSO-MOPGFXCFSA-N 2 2 390.890 3.895 20 0 GHADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000480748691 865191676 /nfs/dbraw/zinc/19/16/76/865191676.db2.gz LTEMNWOUXTZRRC-KXBFYZLASA-N 2 2 391.357 3.534 20 0 GHADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000480748691 865191678 /nfs/dbraw/zinc/19/16/78/865191678.db2.gz LTEMNWOUXTZRRC-KXBFYZLASA-N 2 2 391.357 3.534 20 0 GHADLP C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171387672 865236713 /nfs/dbraw/zinc/23/67/13/865236713.db2.gz QZTQUXTWCXMVMH-CQSZACIVSA-N 2 2 390.528 3.570 20 0 GHADLP FC(F)(F)c1ccc2c(NC[C@@]3([NH+]4CCOCC4)CCSC3)cc[nH+]c2c1 ZINC000301801633 865542258 /nfs/dbraw/zinc/54/22/58/865542258.db2.gz SQOSGADJAUPZAE-SFHVURJKSA-N 2 2 397.466 3.873 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc(Cl)ccc1O ZINC000185197485 865700959 /nfs/dbraw/zinc/70/09/59/865700959.db2.gz TWDIIHHHEJCFGW-MRXNPFEDSA-N 2 2 390.911 3.607 20 0 GHADLP O[C@@H](C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1Cl)C[NH+]1CCCC1 ZINC000481035235 865725180 /nfs/dbraw/zinc/72/51/80/865725180.db2.gz JEWABBCDGFDVOI-RXVVDRJESA-N 2 2 376.903 3.809 20 0 GHADLP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000121062537 881900334 /nfs/dbraw/zinc/90/03/34/881900334.db2.gz UMGKZSCNFWBSQD-INIZCTEOSA-N 2 2 380.602 3.557 20 0 GHADLP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000121062537 881900346 /nfs/dbraw/zinc/90/03/46/881900346.db2.gz UMGKZSCNFWBSQD-INIZCTEOSA-N 2 2 380.602 3.557 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(F)c(F)c1 ZINC000481179883 865938846 /nfs/dbraw/zinc/93/88/46/865938846.db2.gz VTHZSLGDFYRDDI-QYWGDWMGSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(F)c(F)c1 ZINC000481179883 865938854 /nfs/dbraw/zinc/93/88/54/865938854.db2.gz VTHZSLGDFYRDDI-QYWGDWMGSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(F)cc1F ZINC000481181134 865940115 /nfs/dbraw/zinc/94/01/15/865940115.db2.gz YUGMFNMQMNFWHA-GQIGUUNPSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(F)cc1F ZINC000481181134 865940118 /nfs/dbraw/zinc/94/01/18/865940118.db2.gz YUGMFNMQMNFWHA-GQIGUUNPSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)oc(=O)n3C)CC[N@@H+]1Cc1ccccc1 ZINC000508485272 865961681 /nfs/dbraw/zinc/96/16/81/865961681.db2.gz XCFITHCSYALXTJ-YLJYHZDGSA-N 2 2 379.504 3.616 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)oc(=O)n3C)CC[N@H+]1Cc1ccccc1 ZINC000508485272 865961687 /nfs/dbraw/zinc/96/16/87/865961687.db2.gz XCFITHCSYALXTJ-YLJYHZDGSA-N 2 2 379.504 3.616 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)oc(=O)n3C)CC[NH+]1Cc1ccccc1 ZINC000508485272 865961689 /nfs/dbraw/zinc/96/16/89/865961689.db2.gz XCFITHCSYALXTJ-YLJYHZDGSA-N 2 2 379.504 3.616 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)oc(=O)n3C)CC[NH+]1Cc1ccccc1 ZINC000508485272 865961695 /nfs/dbraw/zinc/96/16/95/865961695.db2.gz XCFITHCSYALXTJ-YLJYHZDGSA-N 2 2 379.504 3.616 20 0 GHADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481174450 865961726 /nfs/dbraw/zinc/96/17/26/865961726.db2.gz KXMMTZLWDMISHX-LQWHRVPQSA-N 2 2 383.511 3.961 20 0 GHADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481174450 865961731 /nfs/dbraw/zinc/96/17/31/865961731.db2.gz KXMMTZLWDMISHX-LQWHRVPQSA-N 2 2 383.511 3.961 20 0 GHADLP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481188918 865970077 /nfs/dbraw/zinc/97/00/77/865970077.db2.gz LKLBKNILYYYLEG-STSQHVNTSA-N 2 2 393.531 3.716 20 0 GHADLP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481188918 865970087 /nfs/dbraw/zinc/97/00/87/865970087.db2.gz LKLBKNILYYYLEG-STSQHVNTSA-N 2 2 393.531 3.716 20 0 GHADLP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481188915 865970190 /nfs/dbraw/zinc/97/01/90/865970190.db2.gz LKLBKNILYYYLEG-IEGUWTFLSA-N 2 2 393.531 3.716 20 0 GHADLP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481188915 865970199 /nfs/dbraw/zinc/97/01/99/865970199.db2.gz LKLBKNILYYYLEG-IEGUWTFLSA-N 2 2 393.531 3.716 20 0 GHADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCCCc3ccccc32)c1 ZINC000481198758 866022167 /nfs/dbraw/zinc/02/21/67/866022167.db2.gz CHMPKOSITQTACN-HSZRJFAPSA-N 2 2 380.532 3.955 20 0 GHADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(Br)cn1 ZINC000555377438 866029636 /nfs/dbraw/zinc/02/96/36/866029636.db2.gz UCRHHRNCISUDKD-OAHLLOKOSA-N 2 2 385.309 3.982 20 0 GHADLP CC1CC[NH+](CCN2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000153225886 866277697 /nfs/dbraw/zinc/27/76/97/866277697.db2.gz PBKRVFABMUDRPC-UHFFFAOYSA-N 2 2 384.395 3.885 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1 ZINC000552870888 866361684 /nfs/dbraw/zinc/36/16/84/866361684.db2.gz UBUNTTFVDYYLCD-IFMALSPDSA-N 2 2 377.488 3.530 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3nc(C(C)C)c(C)s3)CC2)CC1 ZINC000667363815 866373031 /nfs/dbraw/zinc/37/30/31/866373031.db2.gz NSMILKBFVKRQTR-UHFFFAOYSA-N 2 2 393.601 3.599 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3nc(C(C)C)c(C)s3)CC2)CC1 ZINC000667363815 866373044 /nfs/dbraw/zinc/37/30/44/866373044.db2.gz NSMILKBFVKRQTR-UHFFFAOYSA-N 2 2 393.601 3.599 20 0 GHADLP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)o2)cc1 ZINC000153355134 866381670 /nfs/dbraw/zinc/38/16/70/866381670.db2.gz XOALIYGEGLCPLL-KRWDZBQOSA-N 2 2 393.487 3.921 20 0 GHADLP COC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)o2)cc1 ZINC000153355134 866381674 /nfs/dbraw/zinc/38/16/74/866381674.db2.gz XOALIYGEGLCPLL-KRWDZBQOSA-N 2 2 393.487 3.921 20 0 GHADLP C[N@H+](CCOCC(F)(F)C(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000189671689 881970158 /nfs/dbraw/zinc/97/01/58/881970158.db2.gz CZDWUHZXDDJAQO-UHFFFAOYSA-N 2 2 380.401 3.797 20 0 GHADLP C[N@@H+](CCOCC(F)(F)C(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000189671689 881970162 /nfs/dbraw/zinc/97/01/62/881970162.db2.gz CZDWUHZXDDJAQO-UHFFFAOYSA-N 2 2 380.401 3.797 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000534315512 866547161 /nfs/dbraw/zinc/54/71/61/866547161.db2.gz KJWFNMTVSWVRNP-LZNRXBQRSA-N 2 2 394.544 3.733 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000534315512 866547180 /nfs/dbraw/zinc/54/71/80/866547180.db2.gz KJWFNMTVSWVRNP-LZNRXBQRSA-N 2 2 394.544 3.733 20 0 GHADLP CCCCS[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361050 866645650 /nfs/dbraw/zinc/64/56/50/866645650.db2.gz CMJIRZMYLHZJHO-YZGWKJHDSA-N 2 2 383.646 3.704 20 0 GHADLP CCCCS[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361050 866645655 /nfs/dbraw/zinc/64/56/55/866645655.db2.gz CMJIRZMYLHZJHO-YZGWKJHDSA-N 2 2 383.646 3.704 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)c1C ZINC000857085111 882001747 /nfs/dbraw/zinc/00/17/47/882001747.db2.gz CGOHHJCEQFZPGQ-HXUWFJFHSA-N 2 2 381.520 3.788 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)c1C ZINC000857085111 882001770 /nfs/dbraw/zinc/00/17/70/882001770.db2.gz CGOHHJCEQFZPGQ-HXUWFJFHSA-N 2 2 381.520 3.788 20 0 GHADLP C[C@@H]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534384983 866698596 /nfs/dbraw/zinc/69/85/96/866698596.db2.gz MQOSCKBHKDQDOE-KRXUUXHPSA-N 2 2 392.632 3.791 20 0 GHADLP C[C@@H]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534384983 866698604 /nfs/dbraw/zinc/69/86/04/866698604.db2.gz MQOSCKBHKDQDOE-KRXUUXHPSA-N 2 2 392.632 3.791 20 0 GHADLP C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[NH+]1CCC(C)CC1 ZINC000151201253 866938818 /nfs/dbraw/zinc/93/88/18/866938818.db2.gz DYCJCOWULLNTHB-COPCDDAFSA-N 2 2 395.551 3.531 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189901017 882038088 /nfs/dbraw/zinc/03/80/88/882038088.db2.gz OLOZFGVSMMDWHI-BEFAXECRSA-N 2 2 380.879 3.982 20 0 GHADLP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000523315351 867056433 /nfs/dbraw/zinc/05/64/33/867056433.db2.gz SMQZDNGWWSFVNN-VQTJNVASSA-N 2 2 382.527 3.816 20 0 GHADLP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000523315351 867056438 /nfs/dbraw/zinc/05/64/38/867056438.db2.gz SMQZDNGWWSFVNN-VQTJNVASSA-N 2 2 382.527 3.816 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H](c4ccccc4)CC3)CC2)CC1 ZINC000171323051 882098203 /nfs/dbraw/zinc/09/82/03/882098203.db2.gz SLYTWVCMEJMIAQ-OAQYLSRUSA-N 2 2 398.595 3.524 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553555783 867651341 /nfs/dbraw/zinc/65/13/41/867651341.db2.gz PHQISUYJVLMYEM-BVYCBKJFSA-N 2 2 388.515 3.568 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553555783 867651346 /nfs/dbraw/zinc/65/13/46/867651346.db2.gz PHQISUYJVLMYEM-BVYCBKJFSA-N 2 2 388.515 3.568 20 0 GHADLP Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)c[nH+]1 ZINC000535060450 868011431 /nfs/dbraw/zinc/01/14/31/868011431.db2.gz UWVAYEHUWXKNIK-IRLDBZIGSA-N 2 2 378.520 3.639 20 0 GHADLP Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)c[nH+]1 ZINC000535060450 868011447 /nfs/dbraw/zinc/01/14/47/868011447.db2.gz UWVAYEHUWXKNIK-IRLDBZIGSA-N 2 2 378.520 3.639 20 0 GHADLP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000667530924 868250805 /nfs/dbraw/zinc/25/08/05/868250805.db2.gz PPFJZGFPNFREBC-RTBURBONSA-N 2 2 389.286 3.664 20 0 GHADLP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000667530924 868250815 /nfs/dbraw/zinc/25/08/15/868250815.db2.gz PPFJZGFPNFREBC-RTBURBONSA-N 2 2 389.286 3.664 20 0 GHADLP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000667530921 868251680 /nfs/dbraw/zinc/25/16/80/868251680.db2.gz PPFJZGFPNFREBC-MOPGFXCFSA-N 2 2 389.286 3.664 20 0 GHADLP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000667530921 868251696 /nfs/dbraw/zinc/25/16/96/868251696.db2.gz PPFJZGFPNFREBC-MOPGFXCFSA-N 2 2 389.286 3.664 20 0 GHADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000554030688 868653384 /nfs/dbraw/zinc/65/33/84/868653384.db2.gz KWKWUDKHVYFERQ-UHFFFAOYSA-N 2 2 393.531 3.757 20 0 GHADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3nccn3-c3ccccc3)cc2)C[C@H](C)O1 ZINC000190730526 882256419 /nfs/dbraw/zinc/25/64/19/882256419.db2.gz BLKXAUNUAZDVAK-PMACEKPBSA-N 2 2 390.531 3.771 20 0 GHADLP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c2)CC1 ZINC000524429748 869071647 /nfs/dbraw/zinc/07/16/47/869071647.db2.gz YRAIIHQKXNONLX-UHFFFAOYSA-N 2 2 395.551 3.731 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000524474465 869133280 /nfs/dbraw/zinc/13/32/80/869133280.db2.gz UONYHOWKHUUYQU-NHCUHLMSSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000524474465 869133282 /nfs/dbraw/zinc/13/32/82/869133282.db2.gz UONYHOWKHUUYQU-NHCUHLMSSA-N 2 2 385.939 3.724 20 0 GHADLP Cc1ccc(OC(F)F)c(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000428434954 869554058 /nfs/dbraw/zinc/55/40/58/869554058.db2.gz MRIZLVNDLUFRRK-QFIPXVFZSA-N 2 2 390.474 3.665 20 0 GHADLP Cc1ccc(OC(F)F)c(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000428434954 869554067 /nfs/dbraw/zinc/55/40/67/869554067.db2.gz MRIZLVNDLUFRRK-QFIPXVFZSA-N 2 2 390.474 3.665 20 0 GHADLP Cc1ccc(OC(F)F)c(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000428434954 869554078 /nfs/dbraw/zinc/55/40/78/869554078.db2.gz MRIZLVNDLUFRRK-QFIPXVFZSA-N 2 2 390.474 3.665 20 0 GHADLP Cc1ccc(OC(F)F)c(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000428434954 869554087 /nfs/dbraw/zinc/55/40/87/869554087.db2.gz MRIZLVNDLUFRRK-QFIPXVFZSA-N 2 2 390.474 3.665 20 0 GHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc2c(c1)OCCCO2 ZINC000539688526 869600872 /nfs/dbraw/zinc/60/08/72/869600872.db2.gz GELFCLHOLHYUKT-KRWDZBQOSA-N 2 2 396.535 3.946 20 0 GHADLP COc1ccc([C@@H](CN(C)C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000793571805 882322159 /nfs/dbraw/zinc/32/21/59/882322159.db2.gz LXEGIKFIWANTSF-XMMPIXPASA-N 2 2 396.579 3.623 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000248013531 870261318 /nfs/dbraw/zinc/26/13/18/870261318.db2.gz LOFYESAZUZCECH-YEWWUXTCSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000248013531 870261333 /nfs/dbraw/zinc/26/13/33/870261333.db2.gz LOFYESAZUZCECH-YEWWUXTCSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000248013531 870261344 /nfs/dbraw/zinc/26/13/44/870261344.db2.gz LOFYESAZUZCECH-YEWWUXTCSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000248013531 870261356 /nfs/dbraw/zinc/26/13/56/870261356.db2.gz LOFYESAZUZCECH-YEWWUXTCSA-N 2 2 384.351 3.587 20 0 GHADLP O[C@@H](C[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1)C[NH+]1CCCC1 ZINC000446751851 870295123 /nfs/dbraw/zinc/29/51/23/870295123.db2.gz MLQYSHWEZUQWMX-WMLDXEAASA-N 2 2 387.749 3.600 20 0 GHADLP Cc1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000462892597 870311180 /nfs/dbraw/zinc/31/11/80/870311180.db2.gz CYPOWEZJXWNWIO-OAHLLOKOSA-N 2 2 395.425 3.600 20 0 GHADLP C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538730793 870457434 /nfs/dbraw/zinc/45/74/34/870457434.db2.gz PSFYBGAFIWOTRI-HXUWFJFHSA-N 2 2 378.495 3.965 20 0 GHADLP C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538730793 870457472 /nfs/dbraw/zinc/45/74/72/870457472.db2.gz PSFYBGAFIWOTRI-HXUWFJFHSA-N 2 2 378.495 3.965 20 0 GHADLP C[NH+](Cc1cnn(-c2ccc(F)cc2)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538730793 870457737 /nfs/dbraw/zinc/45/77/37/870457737.db2.gz PSFYBGAFIWOTRI-HXUWFJFHSA-N 2 2 378.495 3.965 20 0 GHADLP C[NH+](Cc1cnn(-c2ccc(F)cc2)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538730793 870457878 /nfs/dbraw/zinc/45/78/78/870457878.db2.gz PSFYBGAFIWOTRI-HXUWFJFHSA-N 2 2 378.495 3.965 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)n(C)c1C ZINC000462947362 870474867 /nfs/dbraw/zinc/47/48/67/870474867.db2.gz LSMVUCNUCOVEHQ-DEOSSOPVSA-N 2 2 395.547 3.608 20 0 GHADLP COC(=O)c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)n(C)c1C ZINC000462947362 870474878 /nfs/dbraw/zinc/47/48/78/870474878.db2.gz LSMVUCNUCOVEHQ-DEOSSOPVSA-N 2 2 395.547 3.608 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n(C)c1C ZINC000462947362 870474892 /nfs/dbraw/zinc/47/48/92/870474892.db2.gz LSMVUCNUCOVEHQ-DEOSSOPVSA-N 2 2 395.547 3.608 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n(C)c1C ZINC000462947362 870474902 /nfs/dbraw/zinc/47/49/02/870474902.db2.gz LSMVUCNUCOVEHQ-DEOSSOPVSA-N 2 2 395.547 3.608 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000248757636 870624473 /nfs/dbraw/zinc/62/44/73/870624473.db2.gz GHRAALCDJHDCFC-RTBURBONSA-N 2 2 392.613 3.648 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000248757636 870624475 /nfs/dbraw/zinc/62/44/75/870624475.db2.gz GHRAALCDJHDCFC-RTBURBONSA-N 2 2 392.613 3.648 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nnc(-c2ccccc2)n1C ZINC000249509032 870851462 /nfs/dbraw/zinc/85/14/62/870851462.db2.gz ZJKSADKDWNWNRL-MOJGAOKDSA-N 2 2 389.547 3.728 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nnc(-c2ccccc2)n1C ZINC000249509032 870851472 /nfs/dbraw/zinc/85/14/72/870851472.db2.gz ZJKSADKDWNWNRL-MOJGAOKDSA-N 2 2 389.547 3.728 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1)c1nnc2ccccn21 ZINC001193142084 870916738 /nfs/dbraw/zinc/91/67/38/870916738.db2.gz QCCSMQNVNGEQSK-LJQANCHMSA-N 2 2 377.536 3.725 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1)c1nnc2ccccn21 ZINC001193142083 870916868 /nfs/dbraw/zinc/91/68/68/870916868.db2.gz QCCSMQNVNGEQSK-IBGZPJMESA-N 2 2 377.536 3.725 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000540302232 870946063 /nfs/dbraw/zinc/94/60/63/870946063.db2.gz MXRLWYLWQFCSSD-SFTDATJTSA-N 2 2 375.532 3.589 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000540302232 870946076 /nfs/dbraw/zinc/94/60/76/870946076.db2.gz MXRLWYLWQFCSSD-SFTDATJTSA-N 2 2 375.532 3.589 20 0 GHADLP C[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)N(C)Cc1ccccc1 ZINC000463154831 871032812 /nfs/dbraw/zinc/03/28/12/871032812.db2.gz XPZDGDXEOXZZAI-HXUWFJFHSA-N 2 2 383.555 3.943 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000429718074 871038148 /nfs/dbraw/zinc/03/81/48/871038148.db2.gz DRYGBNZJHMAUGB-PKOBYXMFSA-N 2 2 381.520 3.542 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccccc3Br)CCOCC1)C2 ZINC001169119920 871210661 /nfs/dbraw/zinc/21/06/61/871210661.db2.gz YKUCCWBIRQXQAZ-PHZGNYQRSA-N 2 2 379.342 3.670 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccccc3Br)CCOCC1)C2 ZINC001169119920 871210681 /nfs/dbraw/zinc/21/06/81/871210681.db2.gz YKUCCWBIRQXQAZ-PHZGNYQRSA-N 2 2 379.342 3.670 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000463237834 871233525 /nfs/dbraw/zinc/23/35/25/871233525.db2.gz OIAPRGURDVXLOI-LJQANCHMSA-N 2 2 377.960 3.655 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000463237834 871233536 /nfs/dbraw/zinc/23/35/36/871233536.db2.gz OIAPRGURDVXLOI-LJQANCHMSA-N 2 2 377.960 3.655 20 0 GHADLP Clc1ccc(-c2cn3cc(NCc4ncn5c4C[NH2+]CCC5)ccc3[nH+]2)cc1 ZINC001169243750 871343270 /nfs/dbraw/zinc/34/32/70/871343270.db2.gz RHDRRCOEBGQDEE-UHFFFAOYSA-N 2 2 392.894 3.957 20 0 GHADLP CC[NH+](CC)CCOc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000539171778 871458728 /nfs/dbraw/zinc/45/87/28/871458728.db2.gz ZYELPNKIWJVEBX-UHFFFAOYSA-N 2 2 392.503 3.523 20 0 GHADLP CN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CCC(C)(C)CC1 ZINC000447411076 871571719 /nfs/dbraw/zinc/57/17/19/871571719.db2.gz ZNPKYKVVICUYPM-UHFFFAOYSA-N 2 2 378.605 3.547 20 0 GHADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000163039622 871854773 /nfs/dbraw/zinc/85/47/73/871854773.db2.gz MIJPAZBVWFFMQM-SFHVURJKSA-N 2 2 385.581 3.670 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(OCc2cccnc2)c1 ZINC000447727276 872168650 /nfs/dbraw/zinc/16/86/50/872168650.db2.gz BCVPFVURKFYLIH-QFIPXVFZSA-N 2 2 391.471 3.718 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(OCc2cccnc2)c1 ZINC000447727276 872168656 /nfs/dbraw/zinc/16/86/56/872168656.db2.gz BCVPFVURKFYLIH-QFIPXVFZSA-N 2 2 391.471 3.718 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(OCc2cccnc2)c1 ZINC000447729401 872172978 /nfs/dbraw/zinc/17/29/78/872172978.db2.gz OROZXIGIHAFAJF-HXUWFJFHSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(OCc2cccnc2)c1 ZINC000447729401 872172982 /nfs/dbraw/zinc/17/29/82/872172982.db2.gz OROZXIGIHAFAJF-HXUWFJFHSA-N 2 2 381.520 3.587 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[N@@H+]1Cc1ccccc1 ZINC000182415819 872334580 /nfs/dbraw/zinc/33/45/80/872334580.db2.gz LZBCUUDVJNCJAG-FXAWDEMLSA-N 2 2 392.499 3.984 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[N@H+]1Cc1ccccc1 ZINC000182415819 872334595 /nfs/dbraw/zinc/33/45/95/872334595.db2.gz LZBCUUDVJNCJAG-FXAWDEMLSA-N 2 2 392.499 3.984 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[NH+]1Cc1ccccc1 ZINC000182415819 872334600 /nfs/dbraw/zinc/33/46/00/872334600.db2.gz LZBCUUDVJNCJAG-FXAWDEMLSA-N 2 2 392.499 3.984 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[NH+]1Cc1ccccc1 ZINC000182415819 872334615 /nfs/dbraw/zinc/33/46/15/872334615.db2.gz LZBCUUDVJNCJAG-FXAWDEMLSA-N 2 2 392.499 3.984 20 0 GHADLP C[C@H]1C[C@@H](CCNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000447813956 872344969 /nfs/dbraw/zinc/34/49/69/872344969.db2.gz YBVAFISKZAINMW-RBUKOAKNSA-N 2 2 380.621 3.506 20 0 GHADLP C[C@H]1C[C@@H](CCNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000447813956 872344993 /nfs/dbraw/zinc/34/49/93/872344993.db2.gz YBVAFISKZAINMW-RBUKOAKNSA-N 2 2 380.621 3.506 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[NH2+]CCCNc3cccc[nH+]3)c2C)cc1 ZINC000463740067 872454565 /nfs/dbraw/zinc/45/45/65/872454565.db2.gz ANOJCQVURDCXDR-UHFFFAOYSA-N 2 2 379.508 3.544 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCOc4cc(F)ccc43)cc2)CC1 ZINC000540991407 872687977 /nfs/dbraw/zinc/68/79/77/872687977.db2.gz DQTYPLOHXUVFBZ-QHCPKHFHSA-N 2 2 397.538 3.967 20 0 GHADLP Cc1cc(Br)cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1OC(F)F ZINC000478272497 872763774 /nfs/dbraw/zinc/76/37/74/872763774.db2.gz LIKNVLFCZBVAPX-RISCZKNCSA-N 2 2 377.273 3.931 20 0 GHADLP Cc1cc(Br)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1OC(F)F ZINC000478272497 872763777 /nfs/dbraw/zinc/76/37/77/872763777.db2.gz LIKNVLFCZBVAPX-RISCZKNCSA-N 2 2 377.273 3.931 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000191917646 882666415 /nfs/dbraw/zinc/66/64/15/882666415.db2.gz PYMHMSAMVUXJLM-UHFFFAOYSA-N 2 2 392.478 3.668 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000191917646 882666422 /nfs/dbraw/zinc/66/64/22/882666422.db2.gz PYMHMSAMVUXJLM-UHFFFAOYSA-N 2 2 392.478 3.668 20 0 GHADLP CC[NH+](CC)CCOc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000921207574 882687282 /nfs/dbraw/zinc/68/72/82/882687282.db2.gz GKHNOATYFQGLGU-UHFFFAOYSA-N 2 2 392.503 3.523 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000192039813 882715620 /nfs/dbraw/zinc/71/56/20/882715620.db2.gz ZBWMYQZHEGYHIY-UHFFFAOYSA-N 2 2 390.516 3.508 20 0 GHADLP Clc1ccc(-n2cc(C[NH2+]CCCCNc3cccc[nH+]3)nn2)cc1Cl ZINC000541374423 873471251 /nfs/dbraw/zinc/47/12/51/873471251.db2.gz PGCUSLAOPKCXSS-UHFFFAOYSA-N 2 2 391.306 3.951 20 0 GHADLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2[C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC001196936061 873488173 /nfs/dbraw/zinc/48/81/73/873488173.db2.gz OZKYVZGPRVQNLB-IFMALSPDSA-N 2 2 387.543 3.908 20 0 GHADLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2[C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC001196936061 873488182 /nfs/dbraw/zinc/48/81/82/873488182.db2.gz OZKYVZGPRVQNLB-IFMALSPDSA-N 2 2 387.543 3.908 20 0 GHADLP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cc(-c2ccccc2)n(C)n1 ZINC000527897321 873732230 /nfs/dbraw/zinc/73/22/30/873732230.db2.gz GBBXOMSBSLBGSV-GOSISDBHSA-N 2 2 393.535 3.663 20 0 GHADLP Fc1ccc([C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)c2cnn[nH]2)cc1 ZINC000550885754 882768956 /nfs/dbraw/zinc/76/89/56/882768956.db2.gz JGDUJHAKNILIJF-HXUWFJFHSA-N 2 2 385.512 3.597 20 0 GHADLP Fc1ccc([C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)c2cn[nH]n2)cc1 ZINC000550885754 882768968 /nfs/dbraw/zinc/76/89/68/882768968.db2.gz JGDUJHAKNILIJF-HXUWFJFHSA-N 2 2 385.512 3.597 20 0 GHADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000528145815 874138217 /nfs/dbraw/zinc/13/82/17/874138217.db2.gz FGUNFDXCMNLFNX-NRFANRHFSA-N 2 2 399.583 3.515 20 0 GHADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000528145815 874138231 /nfs/dbraw/zinc/13/82/31/874138231.db2.gz FGUNFDXCMNLFNX-NRFANRHFSA-N 2 2 399.583 3.515 20 0 GHADLP Cn1ccc2cc(NC(=O)c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)ccc21 ZINC001198021205 874184083 /nfs/dbraw/zinc/18/40/83/874184083.db2.gz HIFBHVZTFBPXOF-UHFFFAOYSA-N 2 2 378.520 3.814 20 0 GHADLP Cn1ccc2cc(NC(=O)c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)ccc21 ZINC001198021205 874184086 /nfs/dbraw/zinc/18/40/86/874184086.db2.gz HIFBHVZTFBPXOF-UHFFFAOYSA-N 2 2 378.520 3.814 20 0 GHADLP C[C@H](C[C@@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCC1)NC(=O)OC(C)(C)C ZINC000769684519 874206169 /nfs/dbraw/zinc/20/61/69/874206169.db2.gz NMRSTYFQPCOOOV-IAGOWNOFSA-N 2 2 385.618 3.629 20 0 GHADLP COC(=O)c1cccc2c1OCC[N@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC001198289695 874327875 /nfs/dbraw/zinc/32/78/75/874327875.db2.gz RPADQBUXJPHURU-UHFFFAOYSA-N 2 2 394.515 3.854 20 0 GHADLP COC(=O)c1cccc2c1OCC[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC001198289695 874327890 /nfs/dbraw/zinc/32/78/90/874327890.db2.gz RPADQBUXJPHURU-UHFFFAOYSA-N 2 2 394.515 3.854 20 0 GHADLP CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CC[NH+](CCCn1cc[nH+]c1)CC2 ZINC001198624331 874555218 /nfs/dbraw/zinc/55/52/18/874555218.db2.gz YCMQOVUGMBTMMP-SFHVURJKSA-N 2 2 376.545 3.631 20 0 GHADLP CCc1ccc(CN(C)C(=O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000464841461 874614813 /nfs/dbraw/zinc/61/48/13/874614813.db2.gz XODZVHFUOXGQNI-XMMPIXPASA-N 2 2 393.575 3.661 20 0 GHADLP CCc1ccc(CN(C)C(=O)C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000464841461 874614828 /nfs/dbraw/zinc/61/48/28/874614828.db2.gz XODZVHFUOXGQNI-XMMPIXPASA-N 2 2 393.575 3.661 20 0 GHADLP CCc1ccc(CN(C)C(=O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000464841461 874614836 /nfs/dbraw/zinc/61/48/36/874614836.db2.gz XODZVHFUOXGQNI-XMMPIXPASA-N 2 2 393.575 3.661 20 0 GHADLP CCc1ccc(CN(C)C(=O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000464841461 874614845 /nfs/dbraw/zinc/61/48/45/874614845.db2.gz XODZVHFUOXGQNI-XMMPIXPASA-N 2 2 393.575 3.661 20 0 GHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000303013808 874812218 /nfs/dbraw/zinc/81/22/18/874812218.db2.gz KVGNFUKAYNYMAW-UNMCSNQZSA-N 2 2 375.601 3.826 20 0 GHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000303013808 874812232 /nfs/dbraw/zinc/81/22/32/874812232.db2.gz KVGNFUKAYNYMAW-UNMCSNQZSA-N 2 2 375.601 3.826 20 0 GHADLP CCc1cccc(Cl)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449507279 874972631 /nfs/dbraw/zinc/97/26/31/874972631.db2.gz SYWYLWUOGASLRO-LJQANCHMSA-N 2 2 391.987 3.669 20 0 GHADLP CCc1cccc(Cl)c1C[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449507279 874972638 /nfs/dbraw/zinc/97/26/38/874972638.db2.gz SYWYLWUOGASLRO-LJQANCHMSA-N 2 2 391.987 3.669 20 0 GHADLP CCc1cccc(Cl)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449507279 874972645 /nfs/dbraw/zinc/97/26/45/874972645.db2.gz SYWYLWUOGASLRO-LJQANCHMSA-N 2 2 391.987 3.669 20 0 GHADLP CCc1cccc(Cl)c1C[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449507279 874972651 /nfs/dbraw/zinc/97/26/51/874972651.db2.gz SYWYLWUOGASLRO-LJQANCHMSA-N 2 2 391.987 3.669 20 0 GHADLP COc1ccccc1C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449522745 874995485 /nfs/dbraw/zinc/99/54/85/874995485.db2.gz KEPZFBIRGZRTBI-SFHVURJKSA-N 2 2 395.547 3.839 20 0 GHADLP Fc1ccc(C(F)(F)F)c(Br)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000858165391 882902987 /nfs/dbraw/zinc/90/29/87/882902987.db2.gz GTBXICMVYSLFNR-QMMMGPOBSA-N 2 2 392.194 3.977 20 0 GHADLP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000529056876 875517622 /nfs/dbraw/zinc/51/76/22/875517622.db2.gz ASBWUJJVROPXGA-FQEVSTJZSA-N 2 2 386.927 3.673 20 0 GHADLP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000529056876 875517633 /nfs/dbraw/zinc/51/76/33/875517633.db2.gz ASBWUJJVROPXGA-FQEVSTJZSA-N 2 2 386.927 3.673 20 0 GHADLP Cc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000491382534 875661673 /nfs/dbraw/zinc/66/16/73/875661673.db2.gz QLTHNALMOMCIDE-QFIPXVFZSA-N 2 2 397.544 3.673 20 0 GHADLP OC1CCN(c2ccc(NC3=C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c[nH+]2)CC1 ZINC001201469981 875704306 /nfs/dbraw/zinc/70/43/06/875704306.db2.gz HEKDQLZPZVCCRF-YADHBBJMSA-N 2 2 390.531 3.775 20 0 GHADLP OC1CCN(c2ccc(NC3=C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c[nH+]2)CC1 ZINC001201469981 875704315 /nfs/dbraw/zinc/70/43/15/875704315.db2.gz HEKDQLZPZVCCRF-YADHBBJMSA-N 2 2 390.531 3.775 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000449965461 875713748 /nfs/dbraw/zinc/71/37/48/875713748.db2.gz MWPQSPNFBPKATP-UHFFFAOYSA-N 2 2 397.485 3.694 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC001201671128 875808157 /nfs/dbraw/zinc/80/81/57/875808157.db2.gz CEERLFQFBSKHNT-FQEVSTJZSA-N 2 2 387.568 3.683 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC001201671128 875808166 /nfs/dbraw/zinc/80/81/66/875808166.db2.gz CEERLFQFBSKHNT-FQEVSTJZSA-N 2 2 387.568 3.683 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+](Cn2c3c(sc2=O)C[C@@H](CC)CC3)CC1 ZINC000151804970 875945857 /nfs/dbraw/zinc/94/58/57/875945857.db2.gz FVMWYMKFVRVDAD-KRWDZBQOSA-N 2 2 379.614 3.826 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+](Cn2c3c(sc2=O)C[C@@H](CC)CC3)CC1 ZINC000151804970 875945866 /nfs/dbraw/zinc/94/58/66/875945866.db2.gz FVMWYMKFVRVDAD-KRWDZBQOSA-N 2 2 379.614 3.826 20 0 GHADLP CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000492044999 876114772 /nfs/dbraw/zinc/11/47/72/876114772.db2.gz QFKUKPPBVRCFRT-UHFFFAOYSA-N 2 2 398.555 3.692 20 0 GHADLP COCC[NH+]1CCC(Nc2cc[nH+]c3cc(F)c(Br)cc23)CC1 ZINC000450275397 876179097 /nfs/dbraw/zinc/17/90/97/876179097.db2.gz JLZSBRSSRQNBQL-UHFFFAOYSA-N 2 2 382.277 3.659 20 0 GHADLP FC(F)(F)c1ccc2c(cc[nH+]c2NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000450342482 876296570 /nfs/dbraw/zinc/29/65/70/876296570.db2.gz SDRJRDAEXJKRLU-CQSZACIVSA-N 2 2 379.426 3.588 20 0 GHADLP CCc1ccc2[nH+]ccc(N3CCC[C@H]([N@H+](C)Cc4noc(C)n4)CC3)c2c1 ZINC000450470683 876480654 /nfs/dbraw/zinc/48/06/54/876480654.db2.gz UQOPHCNCKICJSV-SFHVURJKSA-N 2 2 379.508 3.980 20 0 GHADLP CCc1ccc2[nH+]ccc(N3CCC[C@H]([N@@H+](C)Cc4noc(C)n4)CC3)c2c1 ZINC000450470683 876480658 /nfs/dbraw/zinc/48/06/58/876480658.db2.gz UQOPHCNCKICJSV-SFHVURJKSA-N 2 2 379.508 3.980 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3c4ccccc4CCc4ccccc43)CC[C@@H]21 ZINC000193445786 876529795 /nfs/dbraw/zinc/52/97/95/876529795.db2.gz YDOWNIQNGILTCK-VXKWHMMOSA-N 2 2 389.543 3.866 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3c4ccccc4CCc4ccccc43)CC[C@@H]21 ZINC000193445786 876529808 /nfs/dbraw/zinc/52/98/08/876529808.db2.gz YDOWNIQNGILTCK-VXKWHMMOSA-N 2 2 389.543 3.866 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3c4ccccc4CCc4ccccc43)CC[C@@H]21 ZINC000193445786 876529820 /nfs/dbraw/zinc/52/98/20/876529820.db2.gz YDOWNIQNGILTCK-VXKWHMMOSA-N 2 2 389.543 3.866 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3c4ccccc4CCc4ccccc43)CC[C@@H]21 ZINC000193445786 876529823 /nfs/dbraw/zinc/52/98/23/876529823.db2.gz YDOWNIQNGILTCK-VXKWHMMOSA-N 2 2 389.543 3.866 20 0 GHADLP CC[N@@H+](Cc1nnc(-c2ccccc2)n1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971838 876752938 /nfs/dbraw/zinc/75/29/38/876752938.db2.gz ITZLSKDXGCAVGM-UHFFFAOYSA-N 2 2 390.535 3.616 20 0 GHADLP CC[N@H+](Cc1nnc(-c2ccccc2)n1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971838 876752943 /nfs/dbraw/zinc/75/29/43/876752943.db2.gz ITZLSKDXGCAVGM-UHFFFAOYSA-N 2 2 390.535 3.616 20 0 GHADLP C[NH+]1CCC(CNC(=O)Cc2ccc(Cl)cc2Cl)([NH+]2CCCCC2)CC1 ZINC000460507494 883077245 /nfs/dbraw/zinc/07/72/45/883077245.db2.gz GQJNAPNTVOVCRO-UHFFFAOYSA-N 2 2 398.378 3.602 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(N2CCNC2=O)cc1 ZINC000786834673 876953051 /nfs/dbraw/zinc/95/30/51/876953051.db2.gz GOTPXVXZOSNFPO-IRXDYDNUSA-N 2 2 375.476 3.814 20 0 GHADLP COC(=O)c1nc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)ccc1Cl ZINC000850514598 876984475 /nfs/dbraw/zinc/98/44/75/876984475.db2.gz VCEHASPUMWQORB-PBHICJAKSA-N 2 2 379.932 3.654 20 0 GHADLP CCN(CC)C(=O)[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193069926 883085022 /nfs/dbraw/zinc/08/50/22/883085022.db2.gz UNEZMICCGCIVEM-GMAHTHKFSA-N 2 2 379.548 3.708 20 0 GHADLP CCN(CC)C(=O)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193069926 883085037 /nfs/dbraw/zinc/08/50/37/883085037.db2.gz UNEZMICCGCIVEM-GMAHTHKFSA-N 2 2 379.548 3.708 20 0 GHADLP Cc1ccc([C@@H]2CCCCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000174467739 877041369 /nfs/dbraw/zinc/04/13/69/877041369.db2.gz YECROOVOAFZZNE-QHCPKHFHSA-N 2 2 398.595 3.790 20 0 GHADLP Cn1nc(Br)cc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000787145870 877195550 /nfs/dbraw/zinc/19/55/50/877195550.db2.gz FGSRZCSNOGLQNZ-UHFFFAOYSA-N 2 2 391.357 3.527 20 0 GHADLP Cn1nc(Br)cc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000787145870 877195553 /nfs/dbraw/zinc/19/55/53/877195553.db2.gz FGSRZCSNOGLQNZ-UHFFFAOYSA-N 2 2 391.357 3.527 20 0 GHADLP CC1([NH+]2CCCC2)CCC(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000913972348 877238835 /nfs/dbraw/zinc/23/88/35/877238835.db2.gz YPYHDUCNBBZLDM-UHFFFAOYSA-N 2 2 395.551 3.528 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)[C@H](C)C1 ZINC000081095015 877606235 /nfs/dbraw/zinc/60/62/35/877606235.db2.gz MQVANERAOFPLFZ-YLJYHZDGSA-N 2 2 377.548 3.615 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)[C@H](C)C1 ZINC000081095015 877606241 /nfs/dbraw/zinc/60/62/41/877606241.db2.gz MQVANERAOFPLFZ-YLJYHZDGSA-N 2 2 377.548 3.615 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)[C@H](C)C1 ZINC000081095015 877606249 /nfs/dbraw/zinc/60/62/49/877606249.db2.gz MQVANERAOFPLFZ-YLJYHZDGSA-N 2 2 377.548 3.615 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)[C@H](C)C1 ZINC000081095015 877606259 /nfs/dbraw/zinc/60/62/59/877606259.db2.gz MQVANERAOFPLFZ-YLJYHZDGSA-N 2 2 377.548 3.615 20 0 GHADLP c1ccc(COC[C@@H]2CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699424 877663637 /nfs/dbraw/zinc/66/36/37/877663637.db2.gz ANUQBJRSRWYFJE-JWQCQUIFSA-N 2 2 394.559 3.816 20 0 GHADLP c1ccc(COC[C@@H]2CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699424 877663655 /nfs/dbraw/zinc/66/36/55/877663655.db2.gz ANUQBJRSRWYFJE-JWQCQUIFSA-N 2 2 394.559 3.816 20 0 GHADLP c1ccc(COC[C@@H]2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699424 877663665 /nfs/dbraw/zinc/66/36/65/877663665.db2.gz ANUQBJRSRWYFJE-JWQCQUIFSA-N 2 2 394.559 3.816 20 0 GHADLP c1ccc(COC[C@@H]2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699424 877663675 /nfs/dbraw/zinc/66/36/75/877663675.db2.gz ANUQBJRSRWYFJE-JWQCQUIFSA-N 2 2 394.559 3.816 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CCOCC1)c1ccccc1 ZINC000245549113 878093842 /nfs/dbraw/zinc/09/38/42/878093842.db2.gz GCFJYSJAMJHQPT-VXSCBNMQSA-N 2 2 384.564 3.824 20 0 GHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000245596123 878168106 /nfs/dbraw/zinc/16/81/06/878168106.db2.gz LNHOMXUXNMYKEK-NYVOZVTQSA-N 2 2 396.535 3.528 20 0 GHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000245596123 878168121 /nfs/dbraw/zinc/16/81/21/878168121.db2.gz LNHOMXUXNMYKEK-NYVOZVTQSA-N 2 2 396.535 3.528 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245597680 878171305 /nfs/dbraw/zinc/17/13/05/878171305.db2.gz LVLMCEKSBIBHBM-AUSIDOKSSA-N 2 2 388.515 3.996 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245597680 878171311 /nfs/dbraw/zinc/17/13/11/878171311.db2.gz LVLMCEKSBIBHBM-AUSIDOKSSA-N 2 2 388.515 3.996 20 0 GHADLP CN(C(=O)c1ccc2cc[nH]c2c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245629126 878246504 /nfs/dbraw/zinc/24/65/04/878246504.db2.gz DBZYXGIGLIWVQP-FCHUYYIVSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1ccc2cc[nH]c2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245629126 878246520 /nfs/dbraw/zinc/24/65/20/878246520.db2.gz DBZYXGIGLIWVQP-FCHUYYIVSA-N 2 2 382.552 3.577 20 0 GHADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245698407 878418486 /nfs/dbraw/zinc/41/84/86/878418486.db2.gz RFCKRIAGLWQICB-ZIFCJYIRSA-N 2 2 380.492 3.732 20 0 GHADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245698407 878418488 /nfs/dbraw/zinc/41/84/88/878418488.db2.gz RFCKRIAGLWQICB-ZIFCJYIRSA-N 2 2 380.492 3.732 20 0 GHADLP Cc1nn(Cc2cccc(C[NH+]3CCCCC3)c2)c(C)c1[C@H]1COCC[N@H+]1C ZINC000852963551 878673839 /nfs/dbraw/zinc/67/38/39/878673839.db2.gz BRJGXUHULNKJEP-JOCHJYFZSA-N 2 2 382.552 3.537 20 0 GHADLP Cc1nn(Cc2cccc(C[NH+]3CCCCC3)c2)c(C)c1[C@H]1COCC[N@@H+]1C ZINC000852963551 878673846 /nfs/dbraw/zinc/67/38/46/878673846.db2.gz BRJGXUHULNKJEP-JOCHJYFZSA-N 2 2 382.552 3.537 20 0 GHADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177492095 878729333 /nfs/dbraw/zinc/72/93/33/878729333.db2.gz VXYFSLVFWONRPU-SFHVURJKSA-N 2 2 389.584 3.617 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000177956997 878928414 /nfs/dbraw/zinc/92/84/14/878928414.db2.gz MJCNEPGLSWZNJU-SFHVURJKSA-N 2 2 395.494 3.636 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc2ccccc2c1 ZINC000246170859 879099260 /nfs/dbraw/zinc/09/92/60/879099260.db2.gz JBGSVYSJUHEXQE-UFYCRDLUSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc2ccccc2c1 ZINC000246170859 879099272 /nfs/dbraw/zinc/09/92/72/879099272.db2.gz JBGSVYSJUHEXQE-UFYCRDLUSA-N 2 2 379.548 3.823 20 0 GHADLP CC/C(=C\C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000746860493 879276172 /nfs/dbraw/zinc/27/61/72/879276172.db2.gz ZVRSQOUJQUHLPD-CZIZESTLSA-N 2 2 399.579 3.555 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000088520747 879462536 /nfs/dbraw/zinc/46/25/36/879462536.db2.gz VKTCNUUBDLJLTD-IBGZPJMESA-N 2 2 379.495 3.514 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000088520747 879462540 /nfs/dbraw/zinc/46/25/40/879462540.db2.gz VKTCNUUBDLJLTD-IBGZPJMESA-N 2 2 379.495 3.514 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000246380381 879489032 /nfs/dbraw/zinc/48/90/32/879489032.db2.gz JZOJWFYQWZRQPG-KBXCAEBGSA-N 2 2 395.334 3.662 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000246380381 879489034 /nfs/dbraw/zinc/48/90/34/879489034.db2.gz JZOJWFYQWZRQPG-KBXCAEBGSA-N 2 2 395.334 3.662 20 0 GHADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246426743 879551977 /nfs/dbraw/zinc/55/19/77/879551977.db2.gz CLBCALMNTQMZHJ-NYVOZVTQSA-N 2 2 399.579 3.601 20 0 GHADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246426743 879551980 /nfs/dbraw/zinc/55/19/80/879551980.db2.gz CLBCALMNTQMZHJ-NYVOZVTQSA-N 2 2 399.579 3.601 20 0 GHADLP CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246426743 879551989 /nfs/dbraw/zinc/55/19/89/879551989.db2.gz CLBCALMNTQMZHJ-NYVOZVTQSA-N 2 2 399.579 3.601 20 0 GHADLP CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246426743 879551998 /nfs/dbraw/zinc/55/19/98/879551998.db2.gz CLBCALMNTQMZHJ-NYVOZVTQSA-N 2 2 399.579 3.601 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2ccccc2)cc1 ZINC000494074977 879898291 /nfs/dbraw/zinc/89/82/91/879898291.db2.gz KATRYIYCCLPFFL-WXFUMESZSA-N 2 2 380.532 3.752 20 0 GHADLP CCCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000247054379 879901988 /nfs/dbraw/zinc/90/19/88/879901988.db2.gz PBDUWXVMQRAMJG-VCOUNFBDSA-N 2 2 386.584 3.856 20 0 GHADLP CCCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000247054379 879901993 /nfs/dbraw/zinc/90/19/93/879901993.db2.gz PBDUWXVMQRAMJG-VCOUNFBDSA-N 2 2 386.584 3.856 20 0 GHADLP CCC1CCC(c2ccc(-c3noc([C@H](N)C[NH+]4CCC([NH3+])CC4)n3)cc2)CC1 ZINC001212314836 880030803 /nfs/dbraw/zinc/03/08/03/880030803.db2.gz KRVUYOHMNWOTBT-MYKUNDNFSA-N 2 2 397.567 3.843 20 0 GHADLP C[C@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000531721304 880379415 /nfs/dbraw/zinc/37/94/15/880379415.db2.gz FHYFBLCOZVLDIE-FQEVSTJZSA-N 2 2 382.552 3.806 20 0 GHADLP COCCC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453084289 880441288 /nfs/dbraw/zinc/44/12/88/880441288.db2.gz DJHQSDMMSAKAPG-SMIHKQSGSA-N 3 2 385.596 3.520 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ncc(-c2ccccc2)n1C ZINC000453167493 880567991 /nfs/dbraw/zinc/56/79/91/880567991.db2.gz CSPDKDYBQKCHSL-PXNSSMCTSA-N 2 2 390.535 3.796 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000453270874 880712811 /nfs/dbraw/zinc/71/28/11/880712811.db2.gz RUMWFUSXVPHNSC-QRWLVFNGSA-N 2 2 377.891 3.753 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000453270874 880712819 /nfs/dbraw/zinc/71/28/19/880712819.db2.gz RUMWFUSXVPHNSC-QRWLVFNGSA-N 2 2 377.891 3.753 20 0 GHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000113605392 880712834 /nfs/dbraw/zinc/71/28/34/880712834.db2.gz HXNBNQPFTJFPOQ-SFHVURJKSA-N 2 2 391.519 3.801 20 0 GHADLP C[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000453290381 880731929 /nfs/dbraw/zinc/73/19/29/880731929.db2.gz AWCLZEQXDZDIJL-KRWDZBQOSA-N 2 2 379.504 3.723 20 0 GHADLP C[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000453290381 880731937 /nfs/dbraw/zinc/73/19/37/880731937.db2.gz AWCLZEQXDZDIJL-KRWDZBQOSA-N 2 2 379.504 3.723 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](c3cccnc3)C(C)C)CC2)cc1 ZINC000453324028 880795596 /nfs/dbraw/zinc/79/55/96/880795596.db2.gz KMDORBPQTMDOOB-HSZRJFAPSA-N 2 2 380.536 3.991 20 0 GHADLP C[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)[NH+]1CCC(C)CC1 ZINC000531962814 880827268 /nfs/dbraw/zinc/82/72/68/880827268.db2.gz RIGIBHUBEYLGRG-ZWKOTPCHSA-N 2 2 379.976 3.787 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2nc(C)c3ccccc3n2)CC1 ZINC000532042613 880973525 /nfs/dbraw/zinc/97/35/25/880973525.db2.gz NQRZCUOHHNQFSK-UHFFFAOYSA-N 2 2 389.547 3.760 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccccc1 ZINC000643378072 912666019 /nfs/dbraw/zinc/66/60/19/912666019.db2.gz VLAOGPWBTGSUAP-GOSISDBHSA-N 2 2 380.458 3.710 20 0 GHADLP COc1ccc(OC)c(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000181779497 883183851 /nfs/dbraw/zinc/18/38/51/883183851.db2.gz ADNXZZQBEPRVRL-AVRDEDQJSA-N 2 2 383.536 3.532 20 0 GHADLP COc1ccc(OC)c(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000181779497 883183858 /nfs/dbraw/zinc/18/38/58/883183858.db2.gz ADNXZZQBEPRVRL-AVRDEDQJSA-N 2 2 383.536 3.532 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nc(=O)c3c(C)c(C)sc3[nH]2)cc1 ZINC000183690036 883281068 /nfs/dbraw/zinc/28/10/68/883281068.db2.gz BFGIPQQWUGNUDS-ZDUSSCGKSA-N 2 2 393.516 3.946 20 0 GHADLP COc1ccc([C@H]([NH2+]CCc2c[nH]c3ccc(OC)cc23)[C@@H]2CCC[NH2+]2)cc1 ZINC000643453891 912709002 /nfs/dbraw/zinc/70/90/02/912709002.db2.gz FPFSYCUBTFPOKN-GOTSBHOMSA-N 2 2 379.504 3.811 20 0 GHADLP CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccc(Cl)cc2)c1 ZINC000643458217 912711383 /nfs/dbraw/zinc/71/13/83/912711383.db2.gz FEZZVMMOWMBNNI-UYAOXDASSA-N 2 2 392.952 3.565 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000859157081 883626034 /nfs/dbraw/zinc/62/60/34/883626034.db2.gz YDYNVDFSVYYYCJ-YSFYHYPLSA-N 4 2 396.740 3.524 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000859157081 883626045 /nfs/dbraw/zinc/62/60/45/883626045.db2.gz YDYNVDFSVYYYCJ-YSFYHYPLSA-N 4 2 396.740 3.524 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CC[NH+]1C ZINC000859157081 883626055 /nfs/dbraw/zinc/62/60/55/883626055.db2.gz YDYNVDFSVYYYCJ-YSFYHYPLSA-N 4 2 396.740 3.524 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CC[NH+]1C ZINC000859157081 883626063 /nfs/dbraw/zinc/62/60/63/883626063.db2.gz YDYNVDFSVYYYCJ-YSFYHYPLSA-N 4 2 396.740 3.524 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429546404 884021274 /nfs/dbraw/zinc/02/12/74/884021274.db2.gz HQOAFGCLYNLNHO-SIKLNZKXSA-N 2 2 379.548 3.697 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429546404 884021291 /nfs/dbraw/zinc/02/12/91/884021291.db2.gz HQOAFGCLYNLNHO-SIKLNZKXSA-N 2 2 379.548 3.697 20 0 GHADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000556176603 884023304 /nfs/dbraw/zinc/02/33/04/884023304.db2.gz AWEYIJIUODKPKJ-NRFANRHFSA-N 2 2 378.520 3.796 20 0 GHADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000556176603 884023318 /nfs/dbraw/zinc/02/33/18/884023318.db2.gz AWEYIJIUODKPKJ-NRFANRHFSA-N 2 2 378.520 3.796 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000777121777 884038535 /nfs/dbraw/zinc/03/85/35/884038535.db2.gz FVIAIHHDUJJICY-KRWDZBQOSA-N 2 2 378.866 3.942 20 0 GHADLP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000192060260 884231606 /nfs/dbraw/zinc/23/16/06/884231606.db2.gz RBYGHMSVGJUQQJ-UHFFFAOYSA-N 2 2 389.547 3.715 20 0 GHADLP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000192060260 884231625 /nfs/dbraw/zinc/23/16/25/884231625.db2.gz RBYGHMSVGJUQQJ-UHFFFAOYSA-N 2 2 389.547 3.715 20 0 GHADLP C[NH+](C)CCOC1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000476195473 884256930 /nfs/dbraw/zinc/25/69/30/884256930.db2.gz GNJYEEQJIWZITR-UHFFFAOYSA-N 2 2 378.314 3.544 20 0 GHADLP O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495007143 884363457 /nfs/dbraw/zinc/36/34/57/884363457.db2.gz ULPCZTFRAJKWTJ-LEWJYISDSA-N 2 2 377.488 3.696 20 0 GHADLP O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495007143 884363475 /nfs/dbraw/zinc/36/34/75/884363475.db2.gz ULPCZTFRAJKWTJ-LEWJYISDSA-N 2 2 377.488 3.696 20 0 GHADLP CN(C)C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(F)cc1 ZINC000806173114 884394770 /nfs/dbraw/zinc/39/47/70/884394770.db2.gz WRHGFJYUPWIRFO-HSZRJFAPSA-N 2 2 384.543 3.753 20 0 GHADLP Fc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c2ncccc12 ZINC000428554783 884971878 /nfs/dbraw/zinc/97/18/78/884971878.db2.gz UJZRRWCXVBUEMT-FQEVSTJZSA-N 2 2 379.479 3.755 20 0 GHADLP Fc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ncccc12 ZINC000428554783 884971893 /nfs/dbraw/zinc/97/18/93/884971893.db2.gz UJZRRWCXVBUEMT-FQEVSTJZSA-N 2 2 379.479 3.755 20 0 GHADLP C[N@H+]1Cc2c(NC(=O)CCc3ccc(N)[nH+]c3)cccc2[C@@H](c2ccccc2)C1 ZINC001183935347 912892124 /nfs/dbraw/zinc/89/21/24/912892124.db2.gz USAGCHJUHCYLGT-HXUWFJFHSA-N 2 2 386.499 3.812 20 0 GHADLP C[N@@H+]1Cc2c(NC(=O)CCc3ccc(N)[nH+]c3)cccc2[C@@H](c2ccccc2)C1 ZINC001183935347 912892140 /nfs/dbraw/zinc/89/21/40/912892140.db2.gz USAGCHJUHCYLGT-HXUWFJFHSA-N 2 2 386.499 3.812 20 0 GHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)N(Cc3ccccc3)C3CC3)C2)CC1 ZINC000498880220 886011665 /nfs/dbraw/zinc/01/16/65/886011665.db2.gz KTOAFZOFIXNNRP-QFIPXVFZSA-N 2 2 383.580 3.622 20 0 GHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)N(Cc3ccccc3)C3CC3)C2)CC1 ZINC000498880220 886011672 /nfs/dbraw/zinc/01/16/72/886011672.db2.gz KTOAFZOFIXNNRP-QFIPXVFZSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000762480097 886270480 /nfs/dbraw/zinc/27/04/80/886270480.db2.gz JVUARCRFQCWWOL-RHSMWYFYSA-N 2 2 376.526 3.669 20 0 GHADLP Cc1c([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cnn1-c1ccccc1 ZINC000777257030 886331760 /nfs/dbraw/zinc/33/17/60/886331760.db2.gz YLFYNITZDNULCF-UWJYYQICSA-N 2 2 390.535 3.889 20 0 GHADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000499053574 886511955 /nfs/dbraw/zinc/51/19/55/886511955.db2.gz IINQTAXSWWNCMJ-QGZVFWFLSA-N 2 2 381.307 3.992 20 0 GHADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000499053574 886511965 /nfs/dbraw/zinc/51/19/65/886511965.db2.gz IINQTAXSWWNCMJ-QGZVFWFLSA-N 2 2 381.307 3.992 20 0 GHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000808679044 886680984 /nfs/dbraw/zinc/68/09/84/886680984.db2.gz BGOFEAYPOLTDPP-AZUAARDMSA-N 2 2 384.524 3.941 20 0 GHADLP C[C@@]1(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CCCC[NH2+]1 ZINC000237378274 886941717 /nfs/dbraw/zinc/94/17/17/886941717.db2.gz SMPDYAZCKAZYBV-DEOSSOPVSA-N 2 2 388.515 3.747 20 0 GHADLP CC[N@H+](Cc1cc(COC)on1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000459352328 887571683 /nfs/dbraw/zinc/57/16/83/887571683.db2.gz QGCORYKSSLXBIO-UHFFFAOYSA-N 2 2 387.528 3.534 20 0 GHADLP CC[N@@H+](Cc1cc(COC)on1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000459352328 887571690 /nfs/dbraw/zinc/57/16/90/887571690.db2.gz QGCORYKSSLXBIO-UHFFFAOYSA-N 2 2 387.528 3.534 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000809606077 887577573 /nfs/dbraw/zinc/57/75/73/887577573.db2.gz LSDQUYAWPDLNRL-INIZCTEOSA-N 2 2 387.549 3.853 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000809606077 887577582 /nfs/dbraw/zinc/57/75/82/887577582.db2.gz LSDQUYAWPDLNRL-INIZCTEOSA-N 2 2 387.549 3.853 20 0 GHADLP CC(C)COc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000532675075 887609889 /nfs/dbraw/zinc/60/98/89/887609889.db2.gz PQZXEKLPSLBNTM-UHFFFAOYSA-N 2 2 382.552 3.681 20 0 GHADLP CC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1 ZINC000051758615 887781367 /nfs/dbraw/zinc/78/13/67/887781367.db2.gz IXUAOOCMPLRLGF-HXUWFJFHSA-N 2 2 392.975 3.649 20 0 GHADLP CN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287204430 913183887 /nfs/dbraw/zinc/18/38/87/913183887.db2.gz UJOBBRCIFIKTMM-DFNIBXOVSA-N 2 2 391.519 3.691 20 0 GHADLP CN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287204430 913183898 /nfs/dbraw/zinc/18/38/98/913183898.db2.gz UJOBBRCIFIKTMM-DFNIBXOVSA-N 2 2 391.519 3.691 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000025361206 887893930 /nfs/dbraw/zinc/89/39/30/887893930.db2.gz LWDGXOOBZPUAFS-AUSIDOKSSA-N 2 2 395.522 3.868 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000025361206 887893938 /nfs/dbraw/zinc/89/39/38/887893938.db2.gz LWDGXOOBZPUAFS-AUSIDOKSSA-N 2 2 395.522 3.868 20 0 GHADLP CCc1ccc([C@H](CNC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)[NH+](C)C)cc1 ZINC000194054136 887991192 /nfs/dbraw/zinc/99/11/92/887991192.db2.gz STNAXDSTANOPLE-QFIPXVFZSA-N 2 2 394.563 3.588 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000809952859 888019277 /nfs/dbraw/zinc/01/92/77/888019277.db2.gz GJMLPRDKKBIYTA-IYARVYRRSA-N 2 2 376.545 3.851 20 0 GHADLP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC000135987330 888271195 /nfs/dbraw/zinc/27/11/95/888271195.db2.gz VMROATZUHFCHLD-GOSISDBHSA-N 2 2 380.536 3.526 20 0 GHADLP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC000135987330 888271209 /nfs/dbraw/zinc/27/12/09/888271209.db2.gz VMROATZUHFCHLD-GOSISDBHSA-N 2 2 380.536 3.526 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Br)nc1 ZINC000810206593 888317171 /nfs/dbraw/zinc/31/71/71/888317171.db2.gz APGGSPSCGFQQHY-OAHLLOKOSA-N 2 2 390.325 3.527 20 0 GHADLP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)no1 ZINC000459382603 888709772 /nfs/dbraw/zinc/70/97/72/888709772.db2.gz WRHYJZMJGUGDQG-UHFFFAOYSA-N 2 2 376.504 3.595 20 0 GHADLP C[NH+](C)Cc1cc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)ccc1F ZINC000120935246 888763502 /nfs/dbraw/zinc/76/35/02/888763502.db2.gz MVHFEPQSNWGFIY-UHFFFAOYSA-N 3 2 384.543 3.712 20 0 GHADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C(=O)N(C)C)cc1 ZINC000644536607 913349511 /nfs/dbraw/zinc/34/95/11/913349511.db2.gz JQPMCQPVMINBEE-LAUBAEHRSA-N 2 2 376.504 3.757 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124296585 889581447 /nfs/dbraw/zinc/58/14/47/889581447.db2.gz MERSODWTQVCXOG-LBPRGKRZSA-N 2 2 388.821 3.904 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124296585 889581457 /nfs/dbraw/zinc/58/14/57/889581457.db2.gz MERSODWTQVCXOG-LBPRGKRZSA-N 2 2 388.821 3.904 20 0 GHADLP C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000124459905 889638358 /nfs/dbraw/zinc/63/83/58/889638358.db2.gz VFZOSXATFWEAGD-LPHOPBHVSA-N 2 2 380.374 3.612 20 0 GHADLP C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000124459905 889638364 /nfs/dbraw/zinc/63/83/64/889638364.db2.gz VFZOSXATFWEAGD-LPHOPBHVSA-N 2 2 380.374 3.612 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CS2 ZINC000655761959 889717906 /nfs/dbraw/zinc/71/79/06/889717906.db2.gz RXEIFTQQNSJDET-DOTOQJQBSA-N 2 2 397.382 3.829 20 0 GHADLP Cc1cccc([C@H](C)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124764932 889754110 /nfs/dbraw/zinc/75/41/10/889754110.db2.gz PANPHWSEKDUTSX-AJSBUHFISA-N 2 2 385.596 3.894 20 0 GHADLP Cc1cccc([C@H](C)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124764932 889754115 /nfs/dbraw/zinc/75/41/15/889754115.db2.gz PANPHWSEKDUTSX-AJSBUHFISA-N 2 2 385.596 3.894 20 0 GHADLP CC(C)c1ncc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124837792 889784422 /nfs/dbraw/zinc/78/44/22/889784422.db2.gz FRQCVCHQXKFSNB-MSOLQXFVSA-N 2 2 392.613 3.676 20 0 GHADLP CC(C)c1ncc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124837792 889784430 /nfs/dbraw/zinc/78/44/30/889784430.db2.gz FRQCVCHQXKFSNB-MSOLQXFVSA-N 2 2 392.613 3.676 20 0 GHADLP O=C(NCCCCC[NH+]1CCCC1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455029991 890188428 /nfs/dbraw/zinc/18/84/28/890188428.db2.gz BDKLERVWWSZLKG-UHFFFAOYSA-N 2 2 389.931 3.591 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc4c(c3)-c3ccccc3C4)CC2)CC1 ZINC000747774657 890436620 /nfs/dbraw/zinc/43/66/20/890436620.db2.gz WGRPEPIRHRLFAI-UHFFFAOYSA-N 2 2 389.543 3.546 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c(C)c1 ZINC000533528410 890760584 /nfs/dbraw/zinc/76/05/84/890760584.db2.gz WKYYRLLQEUTNAO-UGKGYDQZSA-N 2 2 395.551 3.557 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c(C)c1 ZINC000533528410 890760597 /nfs/dbraw/zinc/76/05/97/890760597.db2.gz WKYYRLLQEUTNAO-UGKGYDQZSA-N 2 2 395.551 3.557 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000812719443 890895830 /nfs/dbraw/zinc/89/58/30/890895830.db2.gz SWLOLZFLIHFUOH-MJGOQNOKSA-N 2 2 397.604 3.501 20 0 GHADLP C[C@H](CC1CCCC1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650024 891046397 /nfs/dbraw/zinc/04/63/97/891046397.db2.gz YBSBLYUSSMBFDK-STZQEDGTSA-N 2 2 377.617 3.998 20 0 GHADLP C[C@H](CC1CCCC1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650024 891046414 /nfs/dbraw/zinc/04/64/14/891046414.db2.gz YBSBLYUSSMBFDK-STZQEDGTSA-N 2 2 377.617 3.998 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)[C@H]1C ZINC000533662952 891071129 /nfs/dbraw/zinc/07/11/29/891071129.db2.gz PLPDGSJNAQTJAE-OCFWJZSCSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)[C@H]1C ZINC000533662952 891071144 /nfs/dbraw/zinc/07/11/44/891071144.db2.gz PLPDGSJNAQTJAE-OCFWJZSCSA-N 2 2 392.632 3.790 20 0 GHADLP Cc1ccsc1CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533672784 891111156 /nfs/dbraw/zinc/11/11/56/891111156.db2.gz UMYXVPGMUIDICK-RTBURBONSA-N 2 2 392.613 3.535 20 0 GHADLP Cc1ccsc1CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533672784 891111163 /nfs/dbraw/zinc/11/11/63/891111163.db2.gz UMYXVPGMUIDICK-RTBURBONSA-N 2 2 392.613 3.535 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000248054543 891407636 /nfs/dbraw/zinc/40/76/36/891407636.db2.gz XAYFUOJAYUJDEC-CEMLEFRQSA-N 2 2 382.552 3.702 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000248054543 891407640 /nfs/dbraw/zinc/40/76/40/891407640.db2.gz XAYFUOJAYUJDEC-CEMLEFRQSA-N 2 2 382.552 3.702 20 0 GHADLP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000262000440 892192925 /nfs/dbraw/zinc/19/29/25/892192925.db2.gz PKAVGJRYAHSHRE-UHFFFAOYSA-N 2 2 377.838 3.619 20 0 GHADLP CC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)s1 ZINC000128804303 892459849 /nfs/dbraw/zinc/45/98/49/892459849.db2.gz QLMGSJODZKDINX-HNNXBMFYSA-N 2 2 392.956 3.576 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](c3ccc(F)cn3)C(C)C)cc2)CC1 ZINC000497841867 892530862 /nfs/dbraw/zinc/53/08/62/892530862.db2.gz GREJNWCWQARURE-QHCPKHFHSA-N 2 2 384.543 3.845 20 0 GHADLP C[NH+](C)CCOc1ccc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)cc1 ZINC000648606626 892589700 /nfs/dbraw/zinc/58/97/00/892589700.db2.gz GUBKZSZQVTZLQB-UHFFFAOYSA-N 3 2 384.911 3.756 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000428589645 892628625 /nfs/dbraw/zinc/62/86/25/892628625.db2.gz MYFBENMFNYFSIK-IBGZPJMESA-N 2 2 391.604 3.768 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000428589645 892628631 /nfs/dbraw/zinc/62/86/31/892628631.db2.gz MYFBENMFNYFSIK-IBGZPJMESA-N 2 2 391.604 3.768 20 0 GHADLP O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000876032972 892919418 /nfs/dbraw/zinc/91/94/18/892919418.db2.gz FPZNVNXLUCHEMC-UHFFFAOYSA-N 2 2 395.551 3.532 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000162651521 892952458 /nfs/dbraw/zinc/95/24/58/892952458.db2.gz PBVOUUOJJOSWHE-GCJKJVERSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000162651521 892952467 /nfs/dbraw/zinc/95/24/67/892952467.db2.gz PBVOUUOJJOSWHE-GCJKJVERSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)c(Br)c1 ZINC000645195139 913744393 /nfs/dbraw/zinc/74/43/93/913744393.db2.gz AYPJMBXRFUECJJ-RHSMWYFYSA-N 2 2 395.316 3.732 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)c(Br)c1 ZINC000645195139 913744400 /nfs/dbraw/zinc/74/44/00/913744400.db2.gz AYPJMBXRFUECJJ-RHSMWYFYSA-N 2 2 395.316 3.732 20 0 GHADLP Cc1cc(N2CC[NH+](C[C@@H](O)c3cc4ccccc4o3)CC2)nc(C(C)C)[nH+]1 ZINC000815015536 893340821 /nfs/dbraw/zinc/34/08/21/893340821.db2.gz JFSPQFMIROOFDO-GOSISDBHSA-N 2 2 380.492 3.510 20 0 GHADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000129495174 893509964 /nfs/dbraw/zinc/50/99/64/893509964.db2.gz BCTDKDPZLNSNTM-ZWKOTPCHSA-N 2 2 386.458 3.608 20 0 GHADLP Cc1nn(C)c2ncc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc12 ZINC000536674888 893513627 /nfs/dbraw/zinc/51/36/27/893513627.db2.gz FJTVQHAMMGESBC-DEOSSOPVSA-N 2 2 389.547 3.765 20 0 GHADLP Cc1nn(C)c2ncc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc12 ZINC000536674888 893513645 /nfs/dbraw/zinc/51/36/45/893513645.db2.gz FJTVQHAMMGESBC-DEOSSOPVSA-N 2 2 389.547 3.765 20 0 GHADLP Cc1nn(C)c2ncc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)cc12 ZINC000536674888 893513662 /nfs/dbraw/zinc/51/36/62/893513662.db2.gz FJTVQHAMMGESBC-DEOSSOPVSA-N 2 2 389.547 3.765 20 0 GHADLP Cc1nn(C)c2ncc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)cc12 ZINC000536674888 893513678 /nfs/dbraw/zinc/51/36/78/893513678.db2.gz FJTVQHAMMGESBC-DEOSSOPVSA-N 2 2 389.547 3.765 20 0 GHADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)c1cccc2ccccc21 ZINC000444796430 893550147 /nfs/dbraw/zinc/55/01/47/893550147.db2.gz BPBZHZMASCNCPA-IEBWSBKVSA-N 2 2 376.504 3.630 20 0 GHADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)c1cccc2ccccc21 ZINC000444796430 893550169 /nfs/dbraw/zinc/55/01/69/893550169.db2.gz BPBZHZMASCNCPA-IEBWSBKVSA-N 2 2 376.504 3.630 20 0 GHADLP C[C@H]1CCc2c(sc3nc(C[NH+]4CCC(C[NH+]5CCCC5)CC4)nc(N)c23)C1 ZINC000536754080 893737628 /nfs/dbraw/zinc/73/76/28/893737628.db2.gz HENKKZREAUDLSD-HNNXBMFYSA-N 2 2 399.608 3.706 20 0 GHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3c4sccc4OC(C)(C)[C@@H]3O)CC2)C1 ZINC000459698225 894092197 /nfs/dbraw/zinc/09/21/97/894092197.db2.gz NASLBGBRJIIAFV-GNUPYSACSA-N 2 2 378.582 3.954 20 0 GHADLP C[C@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCC1(F)F ZINC000563918806 894326423 /nfs/dbraw/zinc/32/64/23/894326423.db2.gz GZZBNXCGTZZCPE-YJBOKZPZSA-N 2 2 399.913 3.570 20 0 GHADLP C[C@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCC1(F)F ZINC000563918806 894326438 /nfs/dbraw/zinc/32/64/38/894326438.db2.gz GZZBNXCGTZZCPE-YJBOKZPZSA-N 2 2 399.913 3.570 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)CCn2cc[nH+]c2)cc1)C[C@H]1CCCCO1 ZINC000537119030 894337393 /nfs/dbraw/zinc/33/73/93/894337393.db2.gz QGANNPVPPBJHPV-OAQYLSRUSA-N 2 2 384.524 3.691 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)CCn2cc[nH+]c2)cc1)C[C@H]1CCCCO1 ZINC000537119030 894337401 /nfs/dbraw/zinc/33/74/01/894337401.db2.gz QGANNPVPPBJHPV-OAQYLSRUSA-N 2 2 384.524 3.691 20 0 GHADLP COc1ccc([C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1F ZINC000626127655 895248571 /nfs/dbraw/zinc/24/85/71/895248571.db2.gz TUOSFVFOQIKKAL-OAQYLSRUSA-N 2 2 384.495 3.656 20 0 GHADLP COc1ccc([C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1F ZINC000626127655 895248580 /nfs/dbraw/zinc/24/85/80/895248580.db2.gz TUOSFVFOQIKKAL-OAQYLSRUSA-N 2 2 384.495 3.656 20 0 GHADLP CC[NH+](CC)CCOC1CCN(c2[nH+]ccc3cc(OC)c(F)cc32)CC1 ZINC000565501819 895680072 /nfs/dbraw/zinc/68/00/72/895680072.db2.gz BHRAAOSCPJAFOV-UHFFFAOYSA-N 2 2 375.488 3.710 20 0 GHADLP C[C@@H](OC[C@@H](O)C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000566116454 896119724 /nfs/dbraw/zinc/11/97/24/896119724.db2.gz IZYSCMADMPWKIB-IERDGZPVSA-N 2 2 385.895 3.754 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)c3ccccc3)C2)s1 ZINC000566306348 896228915 /nfs/dbraw/zinc/22/89/15/896228915.db2.gz NAPJOZCQRWVAHE-RBUKOAKNSA-N 2 2 385.577 3.862 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)N(C)c3ccccc3)C2)s1 ZINC000566306348 896228926 /nfs/dbraw/zinc/22/89/26/896228926.db2.gz NAPJOZCQRWVAHE-RBUKOAKNSA-N 2 2 385.577 3.862 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N(C)c3ccccc3)C2)s1 ZINC000566306348 896228935 /nfs/dbraw/zinc/22/89/35/896228935.db2.gz NAPJOZCQRWVAHE-RBUKOAKNSA-N 2 2 385.577 3.862 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N(C)c3ccccc3)C2)s1 ZINC000566306348 896228950 /nfs/dbraw/zinc/22/89/50/896228950.db2.gz NAPJOZCQRWVAHE-RBUKOAKNSA-N 2 2 385.577 3.862 20 0 GHADLP Cc1cc(CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc(N2CCCC2)[nH+]1 ZINC000566419509 896300775 /nfs/dbraw/zinc/30/07/75/896300775.db2.gz URAVJUHAIWLXSB-FQEVSTJZSA-N 2 2 386.927 3.563 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C2 ZINC000566574024 896384517 /nfs/dbraw/zinc/38/45/17/896384517.db2.gz ODRQRANJTYCRJZ-DNVCBOLYSA-N 2 2 388.943 3.711 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC001136192666 896398469 /nfs/dbraw/zinc/39/84/69/896398469.db2.gz MOGKIVUTAQUVAK-JOCHJYFZSA-N 2 2 399.966 3.986 20 0 GHADLP O[C@@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(F)cc1Cl ZINC000819274649 896561152 /nfs/dbraw/zinc/56/11/52/896561152.db2.gz IQGXMBSRNPJWJA-KVULBXGLSA-N 2 2 394.840 3.907 20 0 GHADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000566893497 896674012 /nfs/dbraw/zinc/67/40/12/896674012.db2.gz AVHZHBRAPWGAHC-RTBURBONSA-N 2 2 394.563 3.707 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCc3csc(N4CCCC4)n3)CC2)cc1 ZINC000129507978 896701474 /nfs/dbraw/zinc/70/14/74/896701474.db2.gz WEABVTWNTOCMEQ-UHFFFAOYSA-N 2 2 399.608 3.610 20 0 GHADLP Cc1cc(C)cc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826264650 896753734 /nfs/dbraw/zinc/75/37/34/896753734.db2.gz VNGKCFUJMKNQJI-SFHVURJKSA-N 2 2 390.535 3.799 20 0 GHADLP OC1CC[NH+](CCC[NH2+]Cc2cc(F)ccc2Oc2cncc(Cl)c2)CC1 ZINC000882916279 897106498 /nfs/dbraw/zinc/10/64/98/897106498.db2.gz LNHHNSYMIRZGSN-UHFFFAOYSA-N 2 2 393.890 3.603 20 0 GHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000883386874 897550010 /nfs/dbraw/zinc/55/00/10/897550010.db2.gz OEBISDHYZUFWNV-UWJYYQICSA-N 2 2 376.460 3.932 20 0 GHADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386632 897550622 /nfs/dbraw/zinc/55/06/22/897550622.db2.gz KDIGYUZJSGHBRG-PXNSSMCTSA-N 2 2 378.476 3.640 20 0 GHADLP C[C@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000883601828 897751139 /nfs/dbraw/zinc/75/11/39/897751139.db2.gz HCGXLSRKTXOPAW-VCOUNFBDSA-N 2 2 395.551 3.577 20 0 GHADLP C[C@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000883601828 897751143 /nfs/dbraw/zinc/75/11/43/897751143.db2.gz HCGXLSRKTXOPAW-VCOUNFBDSA-N 2 2 395.551 3.577 20 0 GHADLP O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000101545407 897944336 /nfs/dbraw/zinc/94/43/36/897944336.db2.gz ZOUVSUGVYDDEDY-UHFFFAOYSA-N 2 2 375.476 3.658 20 0 GHADLP O[C@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)Cc1ccc(C(F)(F)F)cc1 ZINC000568976564 898253666 /nfs/dbraw/zinc/25/36/66/898253666.db2.gz YDNFSNBYMULAAB-SFHVURJKSA-N 2 2 375.394 3.584 20 0 GHADLP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001136561737 898265221 /nfs/dbraw/zinc/26/52/21/898265221.db2.gz WDOZKNRTAIEMKA-OYRHEFFESA-N 2 2 380.536 3.773 20 0 GHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000569244070 898462432 /nfs/dbraw/zinc/46/24/32/898462432.db2.gz GUBGJIJHWQKOEY-HRAATJIYSA-N 2 2 392.465 3.645 20 0 GHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000569244070 898462439 /nfs/dbraw/zinc/46/24/39/898462439.db2.gz GUBGJIJHWQKOEY-HRAATJIYSA-N 2 2 392.465 3.645 20 0 GHADLP COc1nc2ccccc2cc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001137202436 898831029 /nfs/dbraw/zinc/83/10/29/898831029.db2.gz KMWMIFVIOORLDN-OALUTQOASA-N 2 2 379.529 3.869 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000569666888 898866457 /nfs/dbraw/zinc/86/64/57/898866457.db2.gz BBJBEYLJHSHPGS-SFHVURJKSA-N 2 2 394.563 3.839 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)Cc1ccccc1C(F)(F)F ZINC000569715974 898907486 /nfs/dbraw/zinc/90/74/86/898907486.db2.gz XFIKETRBFJUAKX-LJQANCHMSA-N 2 2 389.421 3.643 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000332148675 899436958 /nfs/dbraw/zinc/43/69/58/899436958.db2.gz IAYXGNXSBSZSGD-UONOGXRCSA-N 2 2 391.313 3.687 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000332148675 899436968 /nfs/dbraw/zinc/43/69/68/899436968.db2.gz IAYXGNXSBSZSGD-UONOGXRCSA-N 2 2 391.313 3.687 20 0 GHADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824217044 899461850 /nfs/dbraw/zinc/46/18/50/899461850.db2.gz XMEWHBVOKQMTLJ-NHCUHLMSSA-N 2 2 382.556 3.636 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000570700191 899517644 /nfs/dbraw/zinc/51/76/44/899517644.db2.gz IFKISAXPJUFCBB-UZUQRXQVSA-N 2 2 379.504 3.723 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000570700191 899517645 /nfs/dbraw/zinc/51/76/45/899517645.db2.gz IFKISAXPJUFCBB-UZUQRXQVSA-N 2 2 379.504 3.723 20 0 GHADLP CCn1nc(C)c(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000824344901 899543216 /nfs/dbraw/zinc/54/32/16/899543216.db2.gz VEOOMJNGDYDCSD-ZJVRTDGDSA-N 2 2 387.959 3.964 20 0 GHADLP CCn1nc(C)c(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000824344901 899543223 /nfs/dbraw/zinc/54/32/23/899543223.db2.gz VEOOMJNGDYDCSD-ZJVRTDGDSA-N 2 2 387.959 3.964 20 0 GHADLP C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282909298 899607705 /nfs/dbraw/zinc/60/77/05/899607705.db2.gz RUYCIVJAVUDXPF-SFHVURJKSA-N 2 2 381.524 3.693 20 0 GHADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000333010498 899889970 /nfs/dbraw/zinc/88/99/70/899889970.db2.gz FSUOEKWMSHRAJT-MSOLQXFVSA-N 2 2 380.536 3.665 20 0 GHADLP c1[nH+]c(C2CC[NH+](Cc3nc(Cc4ccccc4)no3)CC2)n2c1CCCC2 ZINC000333107847 899969015 /nfs/dbraw/zinc/96/90/15/899969015.db2.gz DWKWLLCWIWRTQG-UHFFFAOYSA-N 2 2 377.492 3.573 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1=S ZINC000884483112 900128237 /nfs/dbraw/zinc/12/82/37/900128237.db2.gz NTATVAAGYZMHQU-FGTMMUONSA-N 2 2 395.617 3.685 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1=S ZINC000884483112 900128244 /nfs/dbraw/zinc/12/82/44/900128244.db2.gz NTATVAAGYZMHQU-FGTMMUONSA-N 2 2 395.617 3.685 20 0 GHADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000574334961 900847689 /nfs/dbraw/zinc/84/76/89/900847689.db2.gz IVRMQNOVCMDZDG-MXVIHJGJSA-N 2 2 387.487 3.795 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(Cl)cc(C(F)(F)F)c1)CC2 ZINC001143993308 900894417 /nfs/dbraw/zinc/89/44/17/900894417.db2.gz ZVZFSKNFDPYTTQ-UHFFFAOYSA-N 2 2 375.822 3.989 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886948619 901346760 /nfs/dbraw/zinc/34/67/60/901346760.db2.gz NZWSPUXQEUNBDY-HSZRJFAPSA-N 2 2 393.535 3.884 20 0 GHADLP C[C@@H](CC(=O)OC[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1)n1cc[nH+]c1 ZINC000845467196 902183510 /nfs/dbraw/zinc/18/35/10/902183510.db2.gz FIHFUYLBXDYVJO-HOTGVXAUSA-N 2 2 377.435 3.568 20 0 GHADLP C[C@@H](CC(=O)OC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)n1cc[nH+]c1 ZINC000845467196 902183515 /nfs/dbraw/zinc/18/35/15/902183515.db2.gz FIHFUYLBXDYVJO-HOTGVXAUSA-N 2 2 377.435 3.568 20 0 GHADLP O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)N1CCn2c[nH+]cc2C1 ZINC000646534384 914621519 /nfs/dbraw/zinc/62/15/19/914621519.db2.gz TTZNXKYNKIPQQZ-UHFFFAOYSA-N 2 2 385.537 3.509 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000778977761 902430896 /nfs/dbraw/zinc/43/08/96/902430896.db2.gz QCBDEKANCWTPTM-CTNGQTDRSA-N 2 2 390.478 3.590 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000778977761 902430905 /nfs/dbraw/zinc/43/09/05/902430905.db2.gz QCBDEKANCWTPTM-CTNGQTDRSA-N 2 2 390.478 3.590 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000130125817 902899428 /nfs/dbraw/zinc/89/94/28/902899428.db2.gz XWTPQQALJDCGDO-NQIIRXRSSA-N 2 2 399.539 3.719 20 0 GHADLP [NH3+][C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1c(F)cccc1F ZINC000577726333 903121164 /nfs/dbraw/zinc/12/11/64/903121164.db2.gz VSXSFPDNCJBTSK-OAQYLSRUSA-N 2 2 387.474 3.657 20 0 GHADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000577802341 903211378 /nfs/dbraw/zinc/21/13/78/903211378.db2.gz SVCCSZAWXCHLPJ-HXUWFJFHSA-N 2 2 386.927 3.939 20 0 GHADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000577802341 903211386 /nfs/dbraw/zinc/21/13/86/903211386.db2.gz SVCCSZAWXCHLPJ-HXUWFJFHSA-N 2 2 386.927 3.939 20 0 GHADLP c1cn(-c2ccc(-c3noc(-c4ccc(CC[NH+]5CCCC5)nc4)n3)cc2)c[nH+]1 ZINC001212616062 903578752 /nfs/dbraw/zinc/57/87/52/903578752.db2.gz JAFNBITUSWEOQK-UHFFFAOYSA-N 2 2 386.459 3.623 20 0 GHADLP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C1)CC2 ZINC001171311887 903831039 /nfs/dbraw/zinc/83/10/39/903831039.db2.gz PFYVYNOBNCPYTF-OTWHNJEPSA-N 2 2 397.950 3.665 20 0 GHADLP COc1ccc(Cl)c2c1C[C@@H]([N@@H+]1C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C1)CC2 ZINC001171311887 903831048 /nfs/dbraw/zinc/83/10/48/903831048.db2.gz PFYVYNOBNCPYTF-OTWHNJEPSA-N 2 2 397.950 3.665 20 0 GHADLP COc1ccc(Cl)c2c1C[C@@H]([NH+]1C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C1)CC2 ZINC001171311887 903831053 /nfs/dbraw/zinc/83/10/53/903831053.db2.gz PFYVYNOBNCPYTF-OTWHNJEPSA-N 2 2 397.950 3.665 20 0 GHADLP COc1ccc(Cl)c2c1C[C@@H]([NH+]1C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C1)CC2 ZINC001171311887 903831060 /nfs/dbraw/zinc/83/10/60/903831060.db2.gz PFYVYNOBNCPYTF-OTWHNJEPSA-N 2 2 397.950 3.665 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc(OC)c1OCC(F)F ZINC000578470141 903874426 /nfs/dbraw/zinc/87/44/26/903874426.db2.gz QEXHYWAAGZYNBQ-QGZVFWFLSA-N 2 2 398.494 3.798 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc(OC)c1OCC(F)F ZINC000578470141 903874430 /nfs/dbraw/zinc/87/44/30/903874430.db2.gz QEXHYWAAGZYNBQ-QGZVFWFLSA-N 2 2 398.494 3.798 20 0 GHADLP COc1ccc(Cl)c2c1C[C@H]([NH+]1CCC([NH+]3CCC(OC)CC3)CC1)CC2 ZINC001171326233 904014731 /nfs/dbraw/zinc/01/47/31/904014731.db2.gz LNJDHGMJMUAREC-QGZVFWFLSA-N 2 2 392.971 3.781 20 0 GHADLP Fc1cc(F)c2c(c1)C[C@H](N(c1cccc[nH+]1)[C@H]1COC3(C1)CC[NH2+]CC3)CC2 ZINC001171368303 904361658 /nfs/dbraw/zinc/36/16/58/904361658.db2.gz DDQYCHFYWIGUKP-RTBURBONSA-N 2 2 399.485 3.635 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000153732092 904394091 /nfs/dbraw/zinc/39/40/91/904394091.db2.gz JKSSMISBWHPPKY-CQSZACIVSA-N 2 2 387.480 3.574 20 0 GHADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000579598171 904727936 /nfs/dbraw/zinc/72/79/36/904727936.db2.gz UFIBOAZZXLELJE-FQEVSTJZSA-N 2 2 392.528 3.718 20 0 GHADLP Cc1cccc2c1CC[C@@H](N(c1cccc[nH+]1)[C@@H]1COC3(C1)CC[NH2+]CC3)C2 ZINC001171573642 904842789 /nfs/dbraw/zinc/84/27/89/904842789.db2.gz XESDYXXHNDMACK-RTWAWAEBSA-N 2 2 377.532 3.665 20 0 GHADLP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@@H](c3cccc(S(C)(=O)=O)c3)C2)CC1(C)C ZINC001171643494 904931782 /nfs/dbraw/zinc/93/17/82/904931782.db2.gz VWYYNZLPDFYEPQ-GOSISDBHSA-N 2 2 392.609 3.921 20 0 GHADLP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H](c3cccc(S(C)(=O)=O)c3)C2)CC1(C)C ZINC001171643494 904931795 /nfs/dbraw/zinc/93/17/95/904931795.db2.gz VWYYNZLPDFYEPQ-GOSISDBHSA-N 2 2 392.609 3.921 20 0 GHADLP CC1([NH+]2CCCCC2)CCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000890241827 904952865 /nfs/dbraw/zinc/95/28/65/904952865.db2.gz CTKWFWHZRSYTLU-NRFANRHFSA-N 2 2 395.551 3.674 20 0 GHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171903800 905134123 /nfs/dbraw/zinc/13/41/23/905134123.db2.gz QNNBQRZFTVIWDB-JOCHJYFZSA-N 2 2 388.515 3.999 20 0 GHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171903800 905134126 /nfs/dbraw/zinc/13/41/26/905134126.db2.gz QNNBQRZFTVIWDB-JOCHJYFZSA-N 2 2 388.515 3.999 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[NH+](Cc3ccccc3)C[C@@H]1C(F)(F)F)C2 ZINC001172134364 905346529 /nfs/dbraw/zinc/34/65/29/905346529.db2.gz WZRMWNLWMGPVFN-FUMNGEBKSA-N 2 2 381.486 3.750 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[NH+](Cc3ccccc3)C[C@@H]1C(F)(F)F)C2 ZINC001172134364 905346545 /nfs/dbraw/zinc/34/65/45/905346545.db2.gz WZRMWNLWMGPVFN-FUMNGEBKSA-N 2 2 381.486 3.750 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[N@H+](Cc3ccccc3)C[C@@H]1C(F)(F)F)C2 ZINC001172134364 905346559 /nfs/dbraw/zinc/34/65/59/905346559.db2.gz WZRMWNLWMGPVFN-FUMNGEBKSA-N 2 2 381.486 3.750 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[N@@H+](Cc3ccccc3)C[C@@H]1C(F)(F)F)C2 ZINC001172134364 905346577 /nfs/dbraw/zinc/34/65/77/905346577.db2.gz WZRMWNLWMGPVFN-FUMNGEBKSA-N 2 2 381.486 3.750 20 0 GHADLP COCCC[NH+]1CCC([NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001172255543 905451260 /nfs/dbraw/zinc/45/12/60/905451260.db2.gz VHDAZXDQBJNNBA-UHFFFAOYSA-N 2 2 378.944 3.736 20 0 GHADLP C[N@H+](Cc1ccccc1N1CCCCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000779224621 905484425 /nfs/dbraw/zinc/48/44/25/905484425.db2.gz GKPHUWAMZNIRFC-RUZDIDTESA-N 2 2 393.575 3.746 20 0 GHADLP C[N@@H+](Cc1ccccc1N1CCCCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000779224621 905484431 /nfs/dbraw/zinc/48/44/31/905484431.db2.gz GKPHUWAMZNIRFC-RUZDIDTESA-N 2 2 393.575 3.746 20 0 GHADLP C[NH+](Cc1ccccc1N1CCCCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000779224621 905484441 /nfs/dbraw/zinc/48/44/41/905484441.db2.gz GKPHUWAMZNIRFC-RUZDIDTESA-N 2 2 393.575 3.746 20 0 GHADLP C[NH+](Cc1ccccc1N1CCCCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000779224621 905484453 /nfs/dbraw/zinc/48/44/53/905484453.db2.gz GKPHUWAMZNIRFC-RUZDIDTESA-N 2 2 393.575 3.746 20 0 GHADLP C[C@@H]1CC[C@H]([NH+]2CCC([N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)C[C@@H]1C ZINC001172384764 905542778 /nfs/dbraw/zinc/54/27/78/905542778.db2.gz WGMRFJXISAKQRX-RMJJICAUSA-N 2 2 379.589 3.875 20 0 GHADLP C[C@@H]1CC[C@H]([NH+]2CCC([N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)C[C@@H]1C ZINC001172384764 905542791 /nfs/dbraw/zinc/54/27/91/905542791.db2.gz WGMRFJXISAKQRX-RMJJICAUSA-N 2 2 379.589 3.875 20 0 GHADLP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)C1 ZINC001172615953 905674031 /nfs/dbraw/zinc/67/40/31/905674031.db2.gz JUOANFPSMVHVJT-DNVCBOLYSA-N 2 2 379.460 3.725 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+]C3CC(C)(C)OC(C)(C)C3)CC2)cc1 ZINC001172653656 905716858 /nfs/dbraw/zinc/71/68/58/905716858.db2.gz MAZHXPJWHNFMND-UHFFFAOYSA-N 2 2 388.552 3.763 20 0 GHADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172671964 905755250 /nfs/dbraw/zinc/75/52/50/905755250.db2.gz ZFUSVOOAOOEVGI-XMMPIXPASA-N 2 2 391.559 3.774 20 0 GHADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172671964 905755255 /nfs/dbraw/zinc/75/52/55/905755255.db2.gz ZFUSVOOAOOEVGI-XMMPIXPASA-N 2 2 391.559 3.774 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000627794899 905755421 /nfs/dbraw/zinc/75/54/21/905755421.db2.gz WFUCUIJKGJOPIJ-FGZHOGPDSA-N 2 2 383.580 3.589 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000627794899 905755432 /nfs/dbraw/zinc/75/54/32/905755432.db2.gz WFUCUIJKGJOPIJ-FGZHOGPDSA-N 2 2 383.580 3.589 20 0 GHADLP COC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)CC1 ZINC001172777028 905817424 /nfs/dbraw/zinc/81/74/24/905817424.db2.gz HZDXDEVYQVWXME-PXNSSMCTSA-N 2 2 376.516 3.810 20 0 GHADLP COC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001172803310 905876222 /nfs/dbraw/zinc/87/62/22/905876222.db2.gz NTONUBRVQZEHPA-QUCCMNQESA-N 2 2 376.516 3.844 20 0 GHADLP COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001172803310 905876225 /nfs/dbraw/zinc/87/62/25/905876225.db2.gz NTONUBRVQZEHPA-QUCCMNQESA-N 2 2 376.516 3.844 20 0 GHADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001172873097 905944356 /nfs/dbraw/zinc/94/43/56/905944356.db2.gz JYCKODTYYUSTDK-XYPHTWIQSA-N 2 2 399.988 3.747 20 0 GHADLP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001173075695 906171688 /nfs/dbraw/zinc/17/16/88/906171688.db2.gz MASRSKPGSHAATN-OAHLLOKOSA-N 2 2 379.426 3.861 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178199291 906308762 /nfs/dbraw/zinc/30/87/62/906308762.db2.gz KYYAYFZIRHNYKY-GJZGRUSLSA-N 2 2 387.480 3.827 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ncc(Br)s1 ZINC000179206726 906448195 /nfs/dbraw/zinc/44/81/95/906448195.db2.gz PSZRXBTXQHLILF-GFCCVEGCSA-N 2 2 384.343 3.697 20 0 GHADLP Cc1[nH+]cn(C2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)c1CSCC[NH3+] ZINC001173675357 906612340 /nfs/dbraw/zinc/61/23/40/906612340.db2.gz QNTPWITVDYBZCT-ZIAGYGMSSA-N 2 2 382.574 3.732 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC001173709021 906659806 /nfs/dbraw/zinc/65/98/06/906659806.db2.gz KLYJNLBWQTUZNJ-GOSISDBHSA-N 2 2 396.531 3.667 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000366007976 921282601 /nfs/dbraw/zinc/28/26/01/921282601.db2.gz WVAKAYLKIUCXOJ-XQBPLPMBSA-N 2 2 382.527 3.547 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000366007976 921282603 /nfs/dbraw/zinc/28/26/03/921282603.db2.gz WVAKAYLKIUCXOJ-XQBPLPMBSA-N 2 2 382.527 3.547 20 0 GHADLP COc1cc2c(cc1OC)[C@H](C)[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC001175882334 907789479 /nfs/dbraw/zinc/78/94/79/907789479.db2.gz GDZTXTIXXYGAGE-SFHVURJKSA-N 2 2 396.531 3.655 20 0 GHADLP COc1cc2c(cc1OC)[C@H](C)[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC001175882334 907789484 /nfs/dbraw/zinc/78/94/84/907789484.db2.gz GDZTXTIXXYGAGE-SFHVURJKSA-N 2 2 396.531 3.655 20 0 GHADLP COc1cc[nH+]cc1Nc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC001176120657 907947067 /nfs/dbraw/zinc/94/70/67/907947067.db2.gz HWYGZZXPEPTLNA-UHFFFAOYSA-N 2 2 394.519 3.924 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2I)C1 ZINC001177541777 908636400 /nfs/dbraw/zinc/63/64/00/908636400.db2.gz CGZHAQNJGJQVQP-LBPRGKRZSA-N 2 2 392.712 3.766 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2I)C1 ZINC001177541777 908636407 /nfs/dbraw/zinc/63/64/07/908636407.db2.gz CGZHAQNJGJQVQP-LBPRGKRZSA-N 2 2 392.712 3.766 20 0 GHADLP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001178095188 908900985 /nfs/dbraw/zinc/90/09/85/908900985.db2.gz UVMKZBWZRMKEKA-OAQYLSRUSA-N 2 2 378.520 3.539 20 0 GHADLP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001178095188 908901003 /nfs/dbraw/zinc/90/10/03/908901003.db2.gz UVMKZBWZRMKEKA-OAQYLSRUSA-N 2 2 378.520 3.539 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1CN(C(=O)OCc2ccccc2)C1 ZINC001178931069 909295083 /nfs/dbraw/zinc/29/50/83/909295083.db2.gz KIPXOOMWSJKRFP-UHFFFAOYSA-N 2 2 395.547 3.755 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1CN(C(=O)OCc2ccccc2)C1 ZINC001178931069 909295091 /nfs/dbraw/zinc/29/50/91/909295091.db2.gz KIPXOOMWSJKRFP-UHFFFAOYSA-N 2 2 395.547 3.755 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1)C[C@@H]1CCCCO1 ZINC000635765098 909343647 /nfs/dbraw/zinc/34/36/47/909343647.db2.gz BKZJCSNAHGJWQZ-PWRODBHTSA-N 2 2 396.535 3.931 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1)C[C@@H]1CCCCO1 ZINC000635765098 909343663 /nfs/dbraw/zinc/34/36/63/909343663.db2.gz BKZJCSNAHGJWQZ-PWRODBHTSA-N 2 2 396.535 3.931 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1)C[C@@H]1CCCCO1 ZINC000635765098 909343680 /nfs/dbraw/zinc/34/36/80/909343680.db2.gz BKZJCSNAHGJWQZ-PWRODBHTSA-N 2 2 396.535 3.931 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1)C[C@@H]1CCCCO1 ZINC000635765098 909343696 /nfs/dbraw/zinc/34/36/96/909343696.db2.gz BKZJCSNAHGJWQZ-PWRODBHTSA-N 2 2 396.535 3.931 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000267444884 909503730 /nfs/dbraw/zinc/50/37/30/909503730.db2.gz JSEJRQVKADUYIK-XXBNENTESA-N 2 2 388.515 3.714 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000267444884 909503741 /nfs/dbraw/zinc/50/37/41/909503741.db2.gz JSEJRQVKADUYIK-XXBNENTESA-N 2 2 388.515 3.714 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(C)c1Br ZINC001179914189 909833211 /nfs/dbraw/zinc/83/32/11/909833211.db2.gz SSQULQDWFUTWAO-LPHOPBHVSA-N 2 2 394.401 3.524 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(C)c1Br ZINC001179914189 909833220 /nfs/dbraw/zinc/83/32/20/909833220.db2.gz SSQULQDWFUTWAO-LPHOPBHVSA-N 2 2 394.401 3.524 20 0 GHADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)CC1 ZINC001180165201 910002967 /nfs/dbraw/zinc/00/29/67/910002967.db2.gz FDVLWDYDDPATMX-UHFFFAOYSA-N 3 2 397.510 3.622 20 0 GHADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)CC1 ZINC001180165201 910002972 /nfs/dbraw/zinc/00/29/72/910002972.db2.gz FDVLWDYDDPATMX-UHFFFAOYSA-N 3 2 397.510 3.622 20 0 GHADLP COc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)c21 ZINC000245997711 910042494 /nfs/dbraw/zinc/04/24/94/910042494.db2.gz RLLHGVKXZNTPCM-FXAWDEMLSA-N 2 2 378.520 3.614 20 0 GHADLP COc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)c21 ZINC000245997711 910042514 /nfs/dbraw/zinc/04/25/14/910042514.db2.gz RLLHGVKXZNTPCM-FXAWDEMLSA-N 2 2 378.520 3.614 20 0 GHADLP C[N@H+](CCc1ccc(Cl)cc1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001180350395 910090210 /nfs/dbraw/zinc/09/02/10/910090210.db2.gz ZWOYCUVPLQYTJE-UHFFFAOYSA-N 2 2 388.939 3.726 20 0 GHADLP C[N@@H+](CCc1ccc(Cl)cc1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001180350395 910090228 /nfs/dbraw/zinc/09/02/28/910090228.db2.gz ZWOYCUVPLQYTJE-UHFFFAOYSA-N 2 2 388.939 3.726 20 0 GHADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001274485339 910335397 /nfs/dbraw/zinc/33/53/97/910335397.db2.gz DNBSPEZRRJWOFJ-HSALFYBXSA-N 2 2 375.944 3.562 20 0 GHADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001274485339 910335410 /nfs/dbraw/zinc/33/54/10/910335410.db2.gz DNBSPEZRRJWOFJ-HSALFYBXSA-N 2 2 375.944 3.562 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(F)cc1Br ZINC001180785950 910340057 /nfs/dbraw/zinc/34/00/57/910340057.db2.gz AALNQBFWUVHPPL-ZDUSSCGKSA-N 2 2 396.304 3.785 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(F)cc1Br ZINC001180785950 910340075 /nfs/dbraw/zinc/34/00/75/910340075.db2.gz AALNQBFWUVHPPL-ZDUSSCGKSA-N 2 2 396.304 3.785 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)CC[N@@H+]1Cc1ccccc1 ZINC000246734885 910561651 /nfs/dbraw/zinc/56/16/51/910561651.db2.gz MIIRBXWCQGIREC-PTUXOGIPSA-N 2 2 393.531 3.997 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)CC[N@H+]1Cc1ccccc1 ZINC000246734885 910561660 /nfs/dbraw/zinc/56/16/60/910561660.db2.gz MIIRBXWCQGIREC-PTUXOGIPSA-N 2 2 393.531 3.997 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000246734885 910561670 /nfs/dbraw/zinc/56/16/70/910561670.db2.gz MIIRBXWCQGIREC-PTUXOGIPSA-N 2 2 393.531 3.997 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000246734885 910561681 /nfs/dbraw/zinc/56/16/81/910561681.db2.gz MIIRBXWCQGIREC-PTUXOGIPSA-N 2 2 393.531 3.997 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(Br)ccc1F ZINC000271561511 910959409 /nfs/dbraw/zinc/95/94/09/910959409.db2.gz WYXJZPNLYUNOSZ-RZAIGCCYSA-N 2 2 385.321 3.617 20 0 GHADLP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC001181944431 911096529 /nfs/dbraw/zinc/09/65/29/911096529.db2.gz DMCNOWSLCPVROW-OALUTQOASA-N 2 2 383.374 3.597 20 0 GHADLP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC001181944431 911096549 /nfs/dbraw/zinc/09/65/49/911096549.db2.gz DMCNOWSLCPVROW-OALUTQOASA-N 2 2 383.374 3.597 20 0 GHADLP Cc1nc(C[NH+]2CCC(CNc3cc[nH+]cc3Br)CC2)oc1C ZINC000274410363 911327760 /nfs/dbraw/zinc/32/77/60/911327760.db2.gz ZWUQWZXMMQXIGC-UHFFFAOYSA-N 2 2 379.302 3.773 20 0 GHADLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C[C@@H](O)c1ccccc1Cl)CC2 ZINC000283174319 911398709 /nfs/dbraw/zinc/39/87/09/911398709.db2.gz POJWCOMABYNGKX-MSOLQXFVSA-N 2 2 391.968 3.816 20 0 GHADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C[C@@H](O)c1ccccc1Cl)CC2 ZINC000283174319 911398725 /nfs/dbraw/zinc/39/87/25/911398725.db2.gz POJWCOMABYNGKX-MSOLQXFVSA-N 2 2 391.968 3.816 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000774415034 911722357 /nfs/dbraw/zinc/72/23/57/911722357.db2.gz XJGWZQNIXYBLLS-WMLDXEAASA-N 2 2 376.932 3.521 20 0 GHADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001182619487 911929432 /nfs/dbraw/zinc/92/94/32/911929432.db2.gz SFOPRFKDIFKPOD-IRXDYDNUSA-N 2 2 386.462 3.538 20 0 GHADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001182619487 911929446 /nfs/dbraw/zinc/92/94/46/911929446.db2.gz SFOPRFKDIFKPOD-IRXDYDNUSA-N 2 2 386.462 3.538 20 0 GHADLP COCOc1ccc(OC)cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000093016766 912012656 /nfs/dbraw/zinc/01/26/56/912012656.db2.gz KDTJMXGLIRBXEG-IBGZPJMESA-N 2 2 376.541 3.766 20 0 GHADLP COCOc1ccc(OC)cc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000093016766 912012668 /nfs/dbraw/zinc/01/26/68/912012668.db2.gz KDTJMXGLIRBXEG-IBGZPJMESA-N 2 2 376.541 3.766 20 0 GHADLP CCN(C(=O)C[C@H]1C[N@H+](C(c2ccccc2)c2ccccc2)[C@H]1C)C1C[NH+](C)C1 ZINC001186945270 914885501 /nfs/dbraw/zinc/88/55/01/914885501.db2.gz AIMVABAHUHXNOH-UGKGYDQZSA-N 2 2 391.559 3.649 20 0 GHADLP CCN(C(=O)C[C@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@H]1C)C1C[NH+](C)C1 ZINC001186945270 914885516 /nfs/dbraw/zinc/88/55/16/914885516.db2.gz AIMVABAHUHXNOH-UGKGYDQZSA-N 2 2 391.559 3.649 20 0 GHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000291290530 915081437 /nfs/dbraw/zinc/08/14/37/915081437.db2.gz ZRMPRYWIWIKGAF-UHFFFAOYSA-N 3 2 383.502 3.905 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000647344375 915167513 /nfs/dbraw/zinc/16/75/13/915167513.db2.gz PFNCKRLDXYGPHT-ZBCONREDSA-N 3 2 377.576 3.832 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000647344375 915167521 /nfs/dbraw/zinc/16/75/21/915167521.db2.gz PFNCKRLDXYGPHT-ZBCONREDSA-N 3 2 377.576 3.832 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344375 915167533 /nfs/dbraw/zinc/16/75/33/915167533.db2.gz PFNCKRLDXYGPHT-ZBCONREDSA-N 3 2 377.576 3.832 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344375 915167537 /nfs/dbraw/zinc/16/75/37/915167537.db2.gz PFNCKRLDXYGPHT-ZBCONREDSA-N 3 2 377.576 3.832 20 0 GHADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000647834554 915405128 /nfs/dbraw/zinc/40/51/28/915405128.db2.gz WXPVHZWTAVHSOH-NRFANRHFSA-N 2 2 394.906 3.807 20 0 GHADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000647834554 915405139 /nfs/dbraw/zinc/40/51/39/915405139.db2.gz WXPVHZWTAVHSOH-NRFANRHFSA-N 2 2 394.906 3.807 20 0 GHADLP Cc1cc(C)c(NC(=O)N2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)c(C)[nH+]1 ZINC000647977213 915460189 /nfs/dbraw/zinc/46/01/89/915460189.db2.gz GLOMFBLCIGMZSD-FQEVSTJZSA-N 2 2 381.524 3.920 20 0 GHADLP Cc1cc(C)c(NC(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccn3)CC2)c(C)[nH+]1 ZINC000647977213 915460197 /nfs/dbraw/zinc/46/01/97/915460197.db2.gz GLOMFBLCIGMZSD-FQEVSTJZSA-N 2 2 381.524 3.920 20 0 GHADLP O=C1CCC2(CC[NH+](Cc3ccc(Cl)s3)CC2)CN1CCn1cc[nH+]c1 ZINC001275695894 916083903 /nfs/dbraw/zinc/08/39/03/916083903.db2.gz WVKLEKYUJSNJAQ-UHFFFAOYSA-N 2 2 392.956 3.503 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]([NH3+])c3cccc(Cl)c3)n2)C1 ZINC000649278596 916091707 /nfs/dbraw/zinc/09/17/07/916091707.db2.gz OYHXHTWNZHGXOZ-MLGOLLRUSA-N 2 2 378.929 3.667 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]([NH3+])c3cccc(Cl)c3)n2)C1 ZINC000649278596 916091718 /nfs/dbraw/zinc/09/17/18/916091718.db2.gz OYHXHTWNZHGXOZ-MLGOLLRUSA-N 2 2 378.929 3.667 20 0 GHADLP Cc1cc[nH+]c(N2CCN(CCC[NH+]3CCC(Cc4ccccc4)CC3)CC2)c1 ZINC001191539784 918051933 /nfs/dbraw/zinc/05/19/33/918051933.db2.gz GNWCOOQUKKGWRQ-UHFFFAOYSA-N 2 2 392.591 3.857 20 0 GHADLP Fc1cccc(F)c1CCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000653672540 918402489 /nfs/dbraw/zinc/40/24/89/918402489.db2.gz RDQZSSJODZWVMF-OAQYLSRUSA-N 2 2 399.529 3.790 20 0 GHADLP Fc1cccc(F)c1CCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000653672540 918402498 /nfs/dbraw/zinc/40/24/98/918402498.db2.gz RDQZSSJODZWVMF-OAQYLSRUSA-N 2 2 399.529 3.790 20 0 GHADLP CN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297419704 919318936 /nfs/dbraw/zinc/31/89/36/919318936.db2.gz YXPLFNWWDDGOHE-DHIUTWEWSA-N 2 2 398.595 3.523 20 0 GHADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)s1 ZINC000902767809 922486680 /nfs/dbraw/zinc/48/66/80/922486680.db2.gz KCDABHFVDBGASY-CYBMUJFWSA-N 2 2 384.471 3.765 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000368433328 922670988 /nfs/dbraw/zinc/67/09/88/922670988.db2.gz GRDDIXQRYDNZKQ-PMACEKPBSA-N 2 2 392.975 3.601 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000368433328 922670995 /nfs/dbraw/zinc/67/09/95/922670995.db2.gz GRDDIXQRYDNZKQ-PMACEKPBSA-N 2 2 392.975 3.601 20 0 GHADLP C[C@@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903037288 922720369 /nfs/dbraw/zinc/72/03/69/922720369.db2.gz HKKUPUQCTKGWII-QGZVFWFLSA-N 2 2 385.508 3.661 20 0 GHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C[C@H]1C ZINC000676759754 924064129 /nfs/dbraw/zinc/06/41/29/924064129.db2.gz YPVXOIUBRGYJPZ-URVUXULASA-N 2 2 397.567 3.755 20 0 GHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C[C@H]1C ZINC000676759754 924064139 /nfs/dbraw/zinc/06/41/39/924064139.db2.gz YPVXOIUBRGYJPZ-URVUXULASA-N 2 2 397.567 3.755 20 0 GHADLP C[N@@H+](Cc1cccc(Br)c1OC(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000676890459 924131698 /nfs/dbraw/zinc/13/16/98/924131698.db2.gz YSXNPQMDYMBARM-GFCCVEGCSA-N 2 2 377.273 3.824 20 0 GHADLP C[N@H+](Cc1cccc(Br)c1OC(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000676890459 924131703 /nfs/dbraw/zinc/13/17/03/924131703.db2.gz YSXNPQMDYMBARM-GFCCVEGCSA-N 2 2 377.273 3.824 20 0 GHADLP C[NH+](Cc1cccc(Br)c1OC(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000676890459 924131711 /nfs/dbraw/zinc/13/17/11/924131711.db2.gz YSXNPQMDYMBARM-GFCCVEGCSA-N 2 2 377.273 3.824 20 0 GHADLP C[NH+](Cc1cccc(Br)c1OC(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000676890459 924131721 /nfs/dbraw/zinc/13/17/21/924131721.db2.gz YSXNPQMDYMBARM-GFCCVEGCSA-N 2 2 377.273 3.824 20 0 GHADLP C[C@H]1C[C@H](CCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000677113223 924243725 /nfs/dbraw/zinc/24/37/25/924243725.db2.gz BVINEUUXBNLZTM-ICSRJNTNSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@H]1C[C@H](CCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000677113223 924243739 /nfs/dbraw/zinc/24/37/39/924243739.db2.gz BVINEUUXBNLZTM-ICSRJNTNSA-N 2 2 395.551 3.599 20 0 GHADLP Cc1ccc2ncc(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)n2c1 ZINC001137308906 924461019 /nfs/dbraw/zinc/46/10/19/924461019.db2.gz LZLXYKOXQHMITP-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccc2ncc(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)n2c1 ZINC001137308906 924461021 /nfs/dbraw/zinc/46/10/21/924461021.db2.gz LZLXYKOXQHMITP-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccc2ncc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)n2c1 ZINC001137308906 924461025 /nfs/dbraw/zinc/46/10/25/924461025.db2.gz LZLXYKOXQHMITP-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccc2ncc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)n2c1 ZINC001137308906 924461028 /nfs/dbraw/zinc/46/10/28/924461028.db2.gz LZLXYKOXQHMITP-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc2c(ccc3ccccc23)o1 ZINC000678926916 924975580 /nfs/dbraw/zinc/97/55/80/924975580.db2.gz DBCPSJANDRFWCY-AZUAARDMSA-N 2 2 393.531 3.643 20 0 GHADLP CC(C)(C)C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000678927951 924975679 /nfs/dbraw/zinc/97/56/79/924975679.db2.gz NMUSCBRQJPOAMX-NHCUHLMSSA-N 2 2 394.003 3.813 20 0 GHADLP CN(C(=O)Nc1cc(Cl)cc(Cl)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681986866 925973903 /nfs/dbraw/zinc/97/39/03/925973903.db2.gz FJOGJJNQZVSAQZ-KRWDZBQOSA-N 2 2 385.339 3.626 20 0 GHADLP CN(C(=O)Nc1cc(Cl)cc(Cl)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681986866 925973913 /nfs/dbraw/zinc/97/39/13/925973913.db2.gz FJOGJJNQZVSAQZ-KRWDZBQOSA-N 2 2 385.339 3.626 20 0 GHADLP Brc1cccc([C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C2CCOCC2)c1 ZINC000682436646 926115184 /nfs/dbraw/zinc/11/51/84/926115184.db2.gz KNONKVXQKRWQRB-VQTJNVASSA-N 2 2 393.369 3.991 20 0 GHADLP Brc1cccc([C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C2CCOCC2)c1 ZINC000682436646 926115189 /nfs/dbraw/zinc/11/51/89/926115189.db2.gz KNONKVXQKRWQRB-VQTJNVASSA-N 2 2 393.369 3.991 20 0 GHADLP CC1(C)CC[C@H](C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)O1 ZINC000411726369 926689619 /nfs/dbraw/zinc/68/96/19/926689619.db2.gz XVYFQOCUQVZLOE-OAHLLOKOSA-N 2 2 382.302 3.698 20 0 GHADLP CC1(C)CC[C@H](C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)O1 ZINC000411726369 926689624 /nfs/dbraw/zinc/68/96/24/926689624.db2.gz XVYFQOCUQVZLOE-OAHLLOKOSA-N 2 2 382.302 3.698 20 0 GHADLP O=C1N(CCn2cc[nH+]c2)CC[C@@]12CCC[N@H+](Cc1csc(Cl)c1)CC2 ZINC001276205874 927343902 /nfs/dbraw/zinc/34/39/02/927343902.db2.gz UGZUWQPGNUEGBE-IBGZPJMESA-N 2 2 392.956 3.503 20 0 GHADLP Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000374804536 927540834 /nfs/dbraw/zinc/54/08/34/927540834.db2.gz ZYJNIUSBQWVEHW-OAQYLSRUSA-N 2 2 397.498 3.597 20 0 GHADLP Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCC[N@H+]1CCCn1cc[nH+]c1C ZINC000374804536 927540840 /nfs/dbraw/zinc/54/08/40/927540840.db2.gz ZYJNIUSBQWVEHW-OAQYLSRUSA-N 2 2 397.498 3.597 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1c(F)cccc1F ZINC000375379314 928235715 /nfs/dbraw/zinc/23/57/15/928235715.db2.gz LPXQBQRJWPHNSD-FTRWYGJKSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1c(F)cccc1F ZINC000375379314 928235726 /nfs/dbraw/zinc/23/57/26/928235726.db2.gz LPXQBQRJWPHNSD-FTRWYGJKSA-N 2 2 387.474 3.792 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2)c1ccccc1 ZINC000544059643 928750511 /nfs/dbraw/zinc/75/05/11/928750511.db2.gz GEMYOKPKSDZDBG-IBGZPJMESA-N 2 2 386.565 3.931 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2)c1ccccc1 ZINC000544059643 928750519 /nfs/dbraw/zinc/75/05/19/928750519.db2.gz GEMYOKPKSDZDBG-IBGZPJMESA-N 2 2 386.565 3.931 20 0 GHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544223885 928951390 /nfs/dbraw/zinc/95/13/90/928951390.db2.gz UTSNCMCYDIILSO-ZCNNSNEGSA-N 2 2 384.568 3.578 20 0 GHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544223885 928951399 /nfs/dbraw/zinc/95/13/99/928951399.db2.gz UTSNCMCYDIILSO-ZCNNSNEGSA-N 2 2 384.568 3.578 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000469519644 929961088 /nfs/dbraw/zinc/96/10/88/929961088.db2.gz WPQFAVLRSSNKPT-VQTJNVASSA-N 2 2 380.536 3.907 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000469519644 929961091 /nfs/dbraw/zinc/96/10/91/929961091.db2.gz WPQFAVLRSSNKPT-VQTJNVASSA-N 2 2 380.536 3.907 20 0 GHADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000758485936 930059284 /nfs/dbraw/zinc/05/92/84/930059284.db2.gz QPJNXTYJVDBYQD-JOCHJYFZSA-N 2 2 396.579 3.903 20 0 GHADLP Cc1cc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)ccc1OCC[NH+]1CCCC1 ZINC000469880713 930231429 /nfs/dbraw/zinc/23/14/29/930231429.db2.gz RHRINZMALJSSNQ-QFIPXVFZSA-N 2 2 393.531 3.683 20 0 GHADLP Cc1cc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)ccc1OCC[NH+]1CCCC1 ZINC000469880713 930231435 /nfs/dbraw/zinc/23/14/35/930231435.db2.gz RHRINZMALJSSNQ-QFIPXVFZSA-N 2 2 393.531 3.683 20 0 GHADLP CC(C)[C@@H](CC[NH2+]C1CCN(c2cccc[nH+]2)CC1)NC(=O)OC(C)(C)C ZINC000693007705 931084358 /nfs/dbraw/zinc/08/43/58/931084358.db2.gz JLLHQNXRWLMANH-GOSISDBHSA-N 2 2 376.545 3.579 20 0 GHADLP C[N@H+](Cc1cc(Cl)nc2ccccc12)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000782550704 931266698 /nfs/dbraw/zinc/26/66/98/931266698.db2.gz GDAMICMAFHSBIM-HSZRJFAPSA-N 2 2 395.934 3.957 20 0 GHADLP C[N@@H+](Cc1cc(Cl)nc2ccccc12)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000782550704 931266702 /nfs/dbraw/zinc/26/67/02/931266702.db2.gz GDAMICMAFHSBIM-HSZRJFAPSA-N 2 2 395.934 3.957 20 0 GHADLP C[NH+](Cc1cc(Cl)nc2ccccc12)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000782550704 931266719 /nfs/dbraw/zinc/26/67/19/931266719.db2.gz GDAMICMAFHSBIM-HSZRJFAPSA-N 2 2 395.934 3.957 20 0 GHADLP C[NH+](Cc1cc(Cl)nc2ccccc12)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000782550704 931266722 /nfs/dbraw/zinc/26/67/22/931266722.db2.gz GDAMICMAFHSBIM-HSZRJFAPSA-N 2 2 395.934 3.957 20 0 GHADLP COc1ccc2c(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cc(=O)oc2c1 ZINC000783032306 931390548 /nfs/dbraw/zinc/39/05/48/931390548.db2.gz YEPHLBXTIUDHMT-UHFFFAOYSA-N 2 2 381.476 3.691 20 0 GHADLP CN(C(=O)CCCc1ccsc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000783527324 931572322 /nfs/dbraw/zinc/57/23/22/931572322.db2.gz AHVFBYKDJRKFOK-LEWJYISDSA-N 2 2 391.625 3.866 20 0 GHADLP CN(C(=O)CCCc1ccsc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000783527324 931572324 /nfs/dbraw/zinc/57/23/24/931572324.db2.gz AHVFBYKDJRKFOK-LEWJYISDSA-N 2 2 391.625 3.866 20 0 GHADLP Brc1ccc([C@@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)s1 ZINC000925789615 931904100 /nfs/dbraw/zinc/90/41/00/931904100.db2.gz AORUOJIWJDZWMS-CJNGLKHVSA-N 2 2 385.371 3.710 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(Br)n1 ZINC000925936265 931966747 /nfs/dbraw/zinc/96/67/47/931966747.db2.gz LIQZYTCPWZZLGJ-ZFWWWQNUSA-N 2 2 390.329 3.553 20 0 GHADLP COc1c(C)cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000796779636 932064420 /nfs/dbraw/zinc/06/44/20/932064420.db2.gz QBTOEDUUNJELLS-HTAPYJJXSA-N 2 2 388.939 3.945 20 0 GHADLP COc1c(C)cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000796779636 932064424 /nfs/dbraw/zinc/06/44/24/932064424.db2.gz QBTOEDUUNJELLS-HTAPYJJXSA-N 2 2 388.939 3.945 20 0 GHADLP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796964982 932127594 /nfs/dbraw/zinc/12/75/94/932127594.db2.gz LUXXYJMCDYCRQZ-INIZCTEOSA-N 2 2 376.545 3.623 20 0 GHADLP C[N@@H+]1CCC[C@H](c2cccc(C(=O)N3CCC(Nc4cccc[nH+]4)CC3)c2)C1 ZINC000927075670 932401512 /nfs/dbraw/zinc/40/15/12/932401512.db2.gz YMORJDCMALAAHT-FQEVSTJZSA-N 2 2 378.520 3.608 20 0 GHADLP C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CCC(Nc4cccc[nH+]4)CC3)c2)C1 ZINC000927075670 932401516 /nfs/dbraw/zinc/40/15/16/932401516.db2.gz YMORJDCMALAAHT-FQEVSTJZSA-N 2 2 378.520 3.608 20 0 GHADLP C[C@@H](CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)NC(=O)OC(C)(C)C ZINC000798272092 932586793 /nfs/dbraw/zinc/58/67/93/932586793.db2.gz ARIICPARWITFBU-KRWDZBQOSA-N 2 2 390.572 3.614 20 0 GHADLP CC(C)[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)NC(=O)OC(C)(C)C ZINC000798273635 932586826 /nfs/dbraw/zinc/58/68/26/932586826.db2.gz GPELSCJLAVDYQR-OAHLLOKOSA-N 2 2 381.483 3.542 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1=O ZINC000559342256 932613833 /nfs/dbraw/zinc/61/38/33/932613833.db2.gz LNRMJGOXSOYABW-MGPUTAFESA-N 2 2 398.507 3.915 20 0 GHADLP C[C@]1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000798529864 932693593 /nfs/dbraw/zinc/69/35/93/932693593.db2.gz YEVILZUZCKOQFM-XMMPIXPASA-N 2 2 388.515 3.573 20 0 GHADLP C[C@]1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798529864 932693597 /nfs/dbraw/zinc/69/35/97/932693597.db2.gz YEVILZUZCKOQFM-XMMPIXPASA-N 2 2 388.515 3.573 20 0 GHADLP CN(c1ccccc1)C1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000560160457 933100107 /nfs/dbraw/zinc/10/01/07/933100107.db2.gz YHNGLTRNEXBFCP-VWLOTQADSA-N 2 2 393.575 3.878 20 0 GHADLP CN(c1ccccc1)C1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000560160457 933100112 /nfs/dbraw/zinc/10/01/12/933100112.db2.gz YHNGLTRNEXBFCP-VWLOTQADSA-N 2 2 393.575 3.878 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)[C@@H]2CCCCC23CC[NH2+]CC3)C1 ZINC001122455603 934874132 /nfs/dbraw/zinc/87/41/32/934874132.db2.gz BIUMVRSOPJKXPE-MOPGFXCFSA-N 2 2 386.584 3.904 20 0 GHADLP Cn1c(C(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)ccc1[C@@H]1CCCC[NH2+]1 ZINC001122457441 934874751 /nfs/dbraw/zinc/87/47/51/934874751.db2.gz QFSLNLDMDBRYGX-ROUUACIJSA-N 2 2 397.567 3.811 20 0 GHADLP Brc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)s1 ZINC001137643535 935659928 /nfs/dbraw/zinc/65/99/28/935659928.db2.gz NYEKSNXIDXYQOZ-CVEARBPZSA-N 2 2 392.366 3.860 20 0 GHADLP Brc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)s1 ZINC001137643535 935659929 /nfs/dbraw/zinc/65/99/29/935659929.db2.gz NYEKSNXIDXYQOZ-CVEARBPZSA-N 2 2 392.366 3.860 20 0 GHADLP Brc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)s1 ZINC001137643535 935659933 /nfs/dbraw/zinc/65/99/33/935659933.db2.gz NYEKSNXIDXYQOZ-CVEARBPZSA-N 2 2 392.366 3.860 20 0 GHADLP Brc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)s1 ZINC001137643535 935659938 /nfs/dbraw/zinc/65/99/38/935659938.db2.gz NYEKSNXIDXYQOZ-CVEARBPZSA-N 2 2 392.366 3.860 20 0 GHADLP Fc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001137659170 935682812 /nfs/dbraw/zinc/68/28/12/935682812.db2.gz LATWSNKDKPTMAM-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001137659170 935682815 /nfs/dbraw/zinc/68/28/15/935682815.db2.gz LATWSNKDKPTMAM-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cc(Cl)ccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001137659170 935682817 /nfs/dbraw/zinc/68/28/17/935682817.db2.gz LATWSNKDKPTMAM-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cc(Cl)ccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001137659170 935682818 /nfs/dbraw/zinc/68/28/18/935682818.db2.gz LATWSNKDKPTMAM-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP CC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccc(OC)cc1 ZINC001461003678 1069330099 /nfs/dbraw/zinc/33/00/99/1069330099.db2.gz ODYHWFFXTGXJSZ-QHCPKHFHSA-N 2 2 384.520 3.647 20 0 GHADLP CCCC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220768939 1032108436 /nfs/dbraw/zinc/10/84/36/1032108436.db2.gz FICCZIVFTOXGDJ-PZJWPPBQSA-N 2 2 378.520 3.658 20 0 GHADLP CCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220768940 1032108777 /nfs/dbraw/zinc/10/87/77/1032108777.db2.gz FICCZIVFTOXGDJ-TZIWHRDSSA-N 2 2 378.520 3.658 20 0 GHADLP CC[C@H]1CN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000546838419 1016753182 /nfs/dbraw/zinc/75/31/82/1016753182.db2.gz XYERILHWFLNLQL-FQEVSTJZSA-N 2 2 377.492 3.771 20 0 GHADLP CC[C@H]1CN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC[N@H+]1Cc1ccccc1 ZINC000546838419 1016753184 /nfs/dbraw/zinc/75/31/84/1016753184.db2.gz XYERILHWFLNLQL-FQEVSTJZSA-N 2 2 377.492 3.771 20 0 GHADLP C[NH+](C)Cc1cc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)ccc1F ZINC000547159390 1016835500 /nfs/dbraw/zinc/83/55/00/1016835500.db2.gz LBUGOPJQYYYCOQ-FQEVSTJZSA-N 2 2 396.466 3.511 20 0 GHADLP C[NH+](C)Cc1cc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)ccc1F ZINC000547159390 1016835515 /nfs/dbraw/zinc/83/55/15/1016835515.db2.gz LBUGOPJQYYYCOQ-FQEVSTJZSA-N 2 2 396.466 3.511 20 0 GHADLP CCCC(=O)[C@H](CCC)Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C ZINC001227161603 1032300960 /nfs/dbraw/zinc/30/09/60/1032300960.db2.gz SCSUHFHSDSTSMI-QFIPXVFZSA-N 3 2 391.600 3.788 20 0 GHADLP CCCC(=O)[C@H](CCC)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1C[NH+](C)C ZINC001227161603 1032300971 /nfs/dbraw/zinc/30/09/71/1032300971.db2.gz SCSUHFHSDSTSMI-QFIPXVFZSA-N 2 2 391.600 3.788 20 0 GHADLP CCc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001204179146 1032630510 /nfs/dbraw/zinc/63/05/10/1032630510.db2.gz KZAVLOWTDVRPAM-HXUWFJFHSA-N 2 2 387.568 3.812 20 0 GHADLP CCc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001204179146 1032630519 /nfs/dbraw/zinc/63/05/19/1032630519.db2.gz KZAVLOWTDVRPAM-HXUWFJFHSA-N 2 2 387.568 3.812 20 0 GHADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000558272917 1017154539 /nfs/dbraw/zinc/15/45/39/1017154539.db2.gz SPKUZYPJQJKJAG-CQSZACIVSA-N 2 2 377.330 3.659 20 0 GHADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000558272917 1017154550 /nfs/dbraw/zinc/15/45/50/1017154550.db2.gz SPKUZYPJQJKJAG-CQSZACIVSA-N 2 2 377.330 3.659 20 0 GHADLP CC(C)C[NH+]1CCC(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)CC1 ZINC001155839653 1032736601 /nfs/dbraw/zinc/73/66/01/1032736601.db2.gz SSGKYTZPXSORLS-LJQANCHMSA-N 2 2 386.584 3.799 20 0 GHADLP CC(C)C[NH+]1CCC(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)CC1 ZINC001155839653 1032736618 /nfs/dbraw/zinc/73/66/18/1032736618.db2.gz SSGKYTZPXSORLS-LJQANCHMSA-N 2 2 386.584 3.799 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)N[C@H](CC[NH+](C)C)c3cccnc3)ccc21 ZINC000931589308 1018009691 /nfs/dbraw/zinc/00/96/91/1018009691.db2.gz OQRWLHMKWDZTMG-HXUWFJFHSA-N 2 2 392.507 3.510 20 0 GHADLP CC(=O)n1cc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c2ccccc21 ZINC001204410032 1032834103 /nfs/dbraw/zinc/83/41/03/1032834103.db2.gz ZDYSFIGBXVDESC-HSZRJFAPSA-N 2 2 383.536 3.624 20 0 GHADLP CC(=O)n1cc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c2ccccc21 ZINC001204410032 1032834120 /nfs/dbraw/zinc/83/41/20/1032834120.db2.gz ZDYSFIGBXVDESC-HSZRJFAPSA-N 2 2 383.536 3.624 20 0 GHADLP CC(=O)n1cc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c2ccccc21 ZINC001204410032 1032834133 /nfs/dbraw/zinc/83/41/33/1032834133.db2.gz ZDYSFIGBXVDESC-HSZRJFAPSA-N 2 2 383.536 3.624 20 0 GHADLP CC(=O)n1cc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c2ccccc21 ZINC001204410032 1032834146 /nfs/dbraw/zinc/83/41/46/1032834146.db2.gz ZDYSFIGBXVDESC-HSZRJFAPSA-N 2 2 383.536 3.624 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000779007492 1020180209 /nfs/dbraw/zinc/18/02/09/1020180209.db2.gz FLQFLOWVFMQFNW-ICSRJNTNSA-N 2 2 384.524 3.714 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccccc2OCCCCO)cc1F ZINC000638421249 1021042812 /nfs/dbraw/zinc/04/28/12/1021042812.db2.gz SGOOVTLUACLPDX-UHFFFAOYSA-N 2 2 383.467 3.761 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])c3c(F)cccc3F)cc2)C1 ZINC000645500676 1021123329 /nfs/dbraw/zinc/12/33/29/1021123329.db2.gz HYWBYTNZCHTCFS-BTYIYWSLSA-N 2 2 387.474 3.513 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])c3c(F)cccc3F)cc2)C1 ZINC000645500676 1021123360 /nfs/dbraw/zinc/12/33/60/1021123360.db2.gz HYWBYTNZCHTCFS-BTYIYWSLSA-N 2 2 387.474 3.513 20 0 GHADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000647814276 1021151022 /nfs/dbraw/zinc/15/10/22/1021151022.db2.gz GXIPVZGCODTWRF-HSZRJFAPSA-N 2 2 397.950 3.762 20 0 GHADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000647814276 1021151024 /nfs/dbraw/zinc/15/10/24/1021151024.db2.gz GXIPVZGCODTWRF-HSZRJFAPSA-N 2 2 397.950 3.762 20 0 GHADLP CC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834574923 1021277744 /nfs/dbraw/zinc/27/77/44/1021277744.db2.gz FYVHWJNMZSZPQA-RBUKOAKNSA-N 2 2 397.604 3.644 20 0 GHADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cn(C(=O)OC(C)(C)C)c4cccc(O)c34)C[C@@H]2C1 ZINC001140359831 1021491641 /nfs/dbraw/zinc/49/16/41/1021491641.db2.gz WFXVJPFYNZDPIN-CVEARBPZSA-N 2 2 385.508 3.514 20 0 GHADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cn(C(=O)OC(C)(C)C)c4cccc(O)c34)C[C@@H]2C1 ZINC001140359831 1021491650 /nfs/dbraw/zinc/49/16/50/1021491650.db2.gz WFXVJPFYNZDPIN-CVEARBPZSA-N 2 2 385.508 3.514 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cn(C(=O)OC(C)(C)C)c4cccc(O)c34)C[C@@H]2C1 ZINC001140359831 1021491657 /nfs/dbraw/zinc/49/16/57/1021491657.db2.gz WFXVJPFYNZDPIN-CVEARBPZSA-N 2 2 385.508 3.514 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cn(C(=O)OC(C)(C)C)c4cccc(O)c34)C[C@@H]2C1 ZINC001140359831 1021491663 /nfs/dbraw/zinc/49/16/63/1021491663.db2.gz WFXVJPFYNZDPIN-CVEARBPZSA-N 2 2 385.508 3.514 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4cc(N5CCCCC5)[nH+]cn4)[C@H]3C2)cc1 ZINC001156319091 1032983516 /nfs/dbraw/zinc/98/35/16/1032983516.db2.gz VBCYBFWWWHFCIP-PCCBWWKXSA-N 2 2 377.536 3.789 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4cc(N5CCCCC5)[nH+]cn4)[C@H]3C2)cc1 ZINC001156319091 1032983520 /nfs/dbraw/zinc/98/35/20/1032983520.db2.gz VBCYBFWWWHFCIP-PCCBWWKXSA-N 2 2 377.536 3.789 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4cc(N5CCCCC5)nc[nH+]4)[C@H]3C2)cc1 ZINC001156319091 1032983525 /nfs/dbraw/zinc/98/35/25/1032983525.db2.gz VBCYBFWWWHFCIP-PCCBWWKXSA-N 2 2 377.536 3.789 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4cc(N5CCCCC5)nc[nH+]4)[C@H]3C2)cc1 ZINC001156319091 1032983529 /nfs/dbraw/zinc/98/35/29/1032983529.db2.gz VBCYBFWWWHFCIP-PCCBWWKXSA-N 2 2 377.536 3.789 20 0 GHADLP Fc1ccccc1-c1ncc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001140399892 1021565989 /nfs/dbraw/zinc/56/59/89/1021565989.db2.gz LHUBDWVGIQNGQU-SFTDATJTSA-N 2 2 388.490 3.847 20 0 GHADLP CCC[NH+](CCC)CCN1CC[NH+](Cc2cnc(-c3ccccc3F)nc2)CC1 ZINC001140404975 1021578882 /nfs/dbraw/zinc/57/88/82/1021578882.db2.gz HYRPXKWXBZFKTH-UHFFFAOYSA-N 2 2 399.558 3.522 20 0 GHADLP CC(C)C(NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000677280745 1021813360 /nfs/dbraw/zinc/81/33/60/1021813360.db2.gz APECQMAYJFSSEO-VQTJNVASSA-N 2 2 380.621 3.646 20 0 GHADLP CC(C)C(NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000677280745 1021813366 /nfs/dbraw/zinc/81/33/66/1021813366.db2.gz APECQMAYJFSSEO-VQTJNVASSA-N 2 2 380.621 3.646 20 0 GHADLP c1ccc(C[NH+]2CC(CNc3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)cc1 ZINC001156399899 1033018728 /nfs/dbraw/zinc/01/87/28/1033018728.db2.gz BSDHSXSJRXUCIJ-UHFFFAOYSA-N 2 2 399.542 3.579 20 0 GHADLP c1ccc(C[NH+]2CC(CNc3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)cc1 ZINC001156399899 1033018739 /nfs/dbraw/zinc/01/87/39/1033018739.db2.gz BSDHSXSJRXUCIJ-UHFFFAOYSA-N 2 2 399.542 3.579 20 0 GHADLP Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(C)c[nH+]1 ZINC000680224685 1022118127 /nfs/dbraw/zinc/11/81/27/1022118127.db2.gz WWDAPIRTSSXAQP-QHAWAJNXSA-N 2 2 378.520 3.543 20 0 GHADLP Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(C)c[nH+]1 ZINC000680224685 1022118135 /nfs/dbraw/zinc/11/81/35/1022118135.db2.gz WWDAPIRTSSXAQP-QHAWAJNXSA-N 2 2 378.520 3.543 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c(Cl)ncc5ccccc54)C[C@@H]3C2)cn1 ZINC001140724950 1022364397 /nfs/dbraw/zinc/36/43/97/1022364397.db2.gz IBVZZWODJHROCV-MOPGFXCFSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c(Cl)ncc5ccccc54)C[C@@H]3C2)cn1 ZINC001140724950 1022364413 /nfs/dbraw/zinc/36/44/13/1022364413.db2.gz IBVZZWODJHROCV-MOPGFXCFSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c(Cl)ncc5ccccc54)C[C@@H]3C2)cn1 ZINC001140724950 1022364428 /nfs/dbraw/zinc/36/44/28/1022364428.db2.gz IBVZZWODJHROCV-MOPGFXCFSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c(Cl)ncc5ccccc54)C[C@@H]3C2)cn1 ZINC001140724950 1022364442 /nfs/dbraw/zinc/36/44/42/1022364442.db2.gz IBVZZWODJHROCV-MOPGFXCFSA-N 2 2 395.938 3.576 20 0 GHADLP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Br)cc1C(F)(F)F)CC2 ZINC001140777205 1022501040 /nfs/dbraw/zinc/50/10/40/1022501040.db2.gz IDUCDTARVRUXSE-UHFFFAOYSA-N 2 2 377.248 3.996 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC)cc1Cl)C2 ZINC001140819215 1022623437 /nfs/dbraw/zinc/62/34/37/1022623437.db2.gz OEHXZYDGVZEYEF-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC)cc1Cl)C2 ZINC001140819215 1022623443 /nfs/dbraw/zinc/62/34/43/1022623443.db2.gz OEHXZYDGVZEYEF-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OC)cc1Cl)C2 ZINC001140819215 1022623447 /nfs/dbraw/zinc/62/34/47/1022623447.db2.gz OEHXZYDGVZEYEF-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OC)cc1Cl)C2 ZINC001140819215 1022623451 /nfs/dbraw/zinc/62/34/51/1022623451.db2.gz OEHXZYDGVZEYEF-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP Cc1c[nH]c(C[NH+]2CCC([NH+]3CCC(NC(=O)OC(C)(C)C)CC3)CC2)c1C ZINC001140864034 1022730135 /nfs/dbraw/zinc/73/01/35/1022730135.db2.gz FMKSQPFQULVQKR-UHFFFAOYSA-N 2 2 390.572 3.585 20 0 GHADLP C[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000755065874 1023055646 /nfs/dbraw/zinc/05/56/46/1023055646.db2.gz JSOZNPXEVMTPFO-MISYRCLQSA-N 2 2 380.621 3.647 20 0 GHADLP C[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000755065874 1023055657 /nfs/dbraw/zinc/05/56/57/1023055657.db2.gz JSOZNPXEVMTPFO-MISYRCLQSA-N 2 2 380.621 3.647 20 0 GHADLP C[C@@H](c1ccccc1)n1cnn(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755773918 1023371947 /nfs/dbraw/zinc/37/19/47/1023371947.db2.gz CUMGCLWVHBIGHN-PXNSSMCTSA-N 2 2 385.581 3.645 20 0 GHADLP C[C@@H](c1ccccc1)n1cnn(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755773918 1023371953 /nfs/dbraw/zinc/37/19/53/1023371953.db2.gz CUMGCLWVHBIGHN-PXNSSMCTSA-N 2 2 385.581 3.645 20 0 GHADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)CC12CCCCC2 ZINC001141158360 1023982533 /nfs/dbraw/zinc/98/25/33/1023982533.db2.gz XPEYXFLDDMVGKI-FQEVSTJZSA-N 2 2 389.971 3.781 20 0 GHADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)CC12CCCCC2 ZINC001141158360 1023982537 /nfs/dbraw/zinc/98/25/37/1023982537.db2.gz XPEYXFLDDMVGKI-FQEVSTJZSA-N 2 2 389.971 3.781 20 0 GHADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC12CCCCC2 ZINC001141158360 1023982551 /nfs/dbraw/zinc/98/25/51/1023982551.db2.gz XPEYXFLDDMVGKI-FQEVSTJZSA-N 2 2 389.971 3.781 20 0 GHADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC12CCCCC2 ZINC001141158360 1023982553 /nfs/dbraw/zinc/98/25/53/1023982553.db2.gz XPEYXFLDDMVGKI-FQEVSTJZSA-N 2 2 389.971 3.781 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ncccc2NC(=O)OC(C)(C)C)C1 ZINC001138411744 1024796113 /nfs/dbraw/zinc/79/61/13/1024796113.db2.gz SHGWLSPJVXEJFE-MRXNPFEDSA-N 2 2 384.480 3.785 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ncccc2NC(=O)OC(C)(C)C)C1 ZINC001138411744 1024796127 /nfs/dbraw/zinc/79/61/27/1024796127.db2.gz SHGWLSPJVXEJFE-MRXNPFEDSA-N 2 2 384.480 3.785 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3sc4ccccc4c3C)C2)C1 ZINC001138461092 1024888510 /nfs/dbraw/zinc/88/85/10/1024888510.db2.gz BPEWEAZWSROASK-QFIPXVFZSA-N 2 2 388.577 3.771 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3sc4ccccc4c3C)C2)C1 ZINC001138461092 1024888515 /nfs/dbraw/zinc/88/85/15/1024888515.db2.gz BPEWEAZWSROASK-QFIPXVFZSA-N 2 2 388.577 3.771 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3sc4ccccc4c3C)C2)C1 ZINC001138461092 1024888517 /nfs/dbraw/zinc/88/85/17/1024888517.db2.gz BPEWEAZWSROASK-QFIPXVFZSA-N 2 2 388.577 3.771 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3sc4ccccc4c3C)C2)C1 ZINC001138461092 1024888531 /nfs/dbraw/zinc/88/85/31/1024888531.db2.gz BPEWEAZWSROASK-QFIPXVFZSA-N 2 2 388.577 3.771 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205145733 1033273490 /nfs/dbraw/zinc/27/34/90/1033273490.db2.gz DHCHFZRRIPMKPR-WDEREUQCSA-N 2 2 384.307 3.678 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205145733 1033273502 /nfs/dbraw/zinc/27/35/02/1033273502.db2.gz DHCHFZRRIPMKPR-WDEREUQCSA-N 2 2 384.307 3.678 20 0 GHADLP Fc1ccc(COc2ccc[nH+]c2NCC2(c3cccnc3)CC[NH2+]CC2)cc1 ZINC001162040531 1025557383 /nfs/dbraw/zinc/55/73/83/1025557383.db2.gz WGKMEZWHMHLBSO-UHFFFAOYSA-N 2 2 392.478 3.928 20 0 GHADLP FC(F)Oc1ccccc1C[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001138909277 1025563605 /nfs/dbraw/zinc/56/36/05/1025563605.db2.gz JRCBUUQVOKQKSD-UHFFFAOYSA-N 2 2 389.446 3.554 20 0 GHADLP COC(=O)c1cccc(CN(c2cc(C)[nH+]c(C3CC3)n2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162191828 1025657872 /nfs/dbraw/zinc/65/78/72/1025657872.db2.gz DWGNYQLAVKTEMI-MXVIHJGJSA-N 2 2 394.519 3.726 20 0 GHADLP C[C@@H]1CN(Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001139052337 1025839713 /nfs/dbraw/zinc/83/97/13/1025839713.db2.gz BGBXAHZCFRTHLR-YADHBBJMSA-N 2 2 393.575 3.614 20 0 GHADLP C[C@@H]1CN(Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001139052337 1025839735 /nfs/dbraw/zinc/83/97/35/1025839735.db2.gz BGBXAHZCFRTHLR-YADHBBJMSA-N 2 2 393.575 3.614 20 0 GHADLP C[N@@H+]1CCc2ncnc(NC3(C)C[NH+](C(c4ccccc4)c4ccccc4)C3)c2C1 ZINC001162855224 1025940871 /nfs/dbraw/zinc/94/08/71/1025940871.db2.gz WRHCBFHQXIRQBD-UHFFFAOYSA-N 2 2 399.542 3.740 20 0 GHADLP C[N@H+]1CCc2ncnc(NC3(C)C[NH+](C(c4ccccc4)c4ccccc4)C3)c2C1 ZINC001162855224 1025940882 /nfs/dbraw/zinc/94/08/82/1025940882.db2.gz WRHCBFHQXIRQBD-UHFFFAOYSA-N 2 2 399.542 3.740 20 0 GHADLP CC(C)C[C@@H](C(=O)N(C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001162920518 1025968157 /nfs/dbraw/zinc/96/81/57/1025968157.db2.gz LNZAXSVAOZHHST-VXKWHMMOSA-N 2 2 382.552 3.982 20 0 GHADLP CC(C)C[C@@H](C(=O)N(C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001162920518 1025968165 /nfs/dbraw/zinc/96/81/65/1025968165.db2.gz LNZAXSVAOZHHST-VXKWHMMOSA-N 2 2 382.552 3.982 20 0 GHADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)sc2Br)C1 ZINC001461068877 1069374621 /nfs/dbraw/zinc/37/46/21/1069374621.db2.gz NMXWDVOMKOQSDC-SECBINFHSA-N 2 2 382.165 3.705 20 0 GHADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)sc2Br)C1 ZINC001461068877 1069374630 /nfs/dbraw/zinc/37/46/30/1069374630.db2.gz NMXWDVOMKOQSDC-SECBINFHSA-N 2 2 382.165 3.705 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139356709 1026229470 /nfs/dbraw/zinc/22/94/70/1026229470.db2.gz RIABWMQQDLLBOF-QFIPXVFZSA-N 2 2 382.508 3.848 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139356709 1026229476 /nfs/dbraw/zinc/22/94/76/1026229476.db2.gz RIABWMQQDLLBOF-QFIPXVFZSA-N 2 2 382.508 3.848 20 0 GHADLP Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4ccc(-n5cc[nH+]c5)cc4)CC[N@@H+]3C2)cc1 ZINC001139360614 1026234377 /nfs/dbraw/zinc/23/43/77/1026234377.db2.gz YRUQETQPAFQVRW-LADGPHEKSA-N 2 2 388.515 3.518 20 0 GHADLP Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4ccc(-n5cc[nH+]c5)cc4)CC[N@H+]3C2)cc1 ZINC001139360614 1026234391 /nfs/dbraw/zinc/23/43/91/1026234391.db2.gz YRUQETQPAFQVRW-LADGPHEKSA-N 2 2 388.515 3.518 20 0 GHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139361996 1026236174 /nfs/dbraw/zinc/23/61/74/1026236174.db2.gz FRJDMYYEAAJVHS-LJQANCHMSA-N 2 2 384.524 3.951 20 0 GHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139361996 1026236187 /nfs/dbraw/zinc/23/61/87/1026236187.db2.gz FRJDMYYEAAJVHS-LJQANCHMSA-N 2 2 384.524 3.951 20 0 GHADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001139364283 1026240956 /nfs/dbraw/zinc/24/09/56/1026240956.db2.gz QGSJEWYCJKDWGB-XMMPIXPASA-N 2 2 390.531 3.595 20 0 GHADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001139364283 1026240971 /nfs/dbraw/zinc/24/09/71/1026240971.db2.gz QGSJEWYCJKDWGB-XMMPIXPASA-N 2 2 390.531 3.595 20 0 GHADLP c1cc(-c2ccc(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)cn2)cs1 ZINC001139497866 1026354458 /nfs/dbraw/zinc/35/44/58/1026354458.db2.gz HHHXCLAJJCFBCU-PMACEKPBSA-N 2 2 376.529 3.769 20 0 GHADLP C[NH+](C)C1CC[NH+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001139515605 1026372946 /nfs/dbraw/zinc/37/29/46/1026372946.db2.gz TVOGMFKBKJSBFM-UHFFFAOYSA-N 3 2 392.591 3.535 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc(Cl)ccn4)CC3)C2)cc1 ZINC001139562969 1026433588 /nfs/dbraw/zinc/43/35/88/1026433588.db2.gz URSGNVHSMOIKFS-UHFFFAOYSA-N 2 2 385.939 3.910 20 0 GHADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001164202632 1026449352 /nfs/dbraw/zinc/44/93/52/1026449352.db2.gz AEBBMOCHPKOOBB-UHFFFAOYSA-N 2 2 375.476 3.532 20 0 GHADLP COC(=O)c1cccc2[nH]cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)c21 ZINC001139717446 1026560040 /nfs/dbraw/zinc/56/00/40/1026560040.db2.gz DEJIGNUNBZJCIZ-CALCHBBNSA-N 2 2 395.528 3.580 20 0 GHADLP COC(=O)c1cccc2[nH]cc(C[N@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)c21 ZINC001139717446 1026560050 /nfs/dbraw/zinc/56/00/50/1026560050.db2.gz DEJIGNUNBZJCIZ-CALCHBBNSA-N 2 2 395.528 3.580 20 0 GHADLP COC(=O)c1cccc2[nH]cc(C[NH+]3C[C@@H]4C[N@H+](Cc5cccs5)C[C@@H]4C3)c21 ZINC001139717446 1026560056 /nfs/dbraw/zinc/56/00/56/1026560056.db2.gz DEJIGNUNBZJCIZ-CALCHBBNSA-N 2 2 395.528 3.580 20 0 GHADLP COC(=O)c1cccc2[nH]cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccs5)C[C@@H]4C3)c21 ZINC001139717446 1026560066 /nfs/dbraw/zinc/56/00/66/1026560066.db2.gz DEJIGNUNBZJCIZ-CALCHBBNSA-N 2 2 395.528 3.580 20 0 GHADLP COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)[C@H]1c1ccccc1 ZINC001140021963 1026807433 /nfs/dbraw/zinc/80/74/33/1026807433.db2.gz VRHPOGSWIYNFED-IRLDBZIGSA-N 2 2 375.472 3.917 20 0 GHADLP COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)[C@H]1c1ccccc1 ZINC001140021963 1026807441 /nfs/dbraw/zinc/80/74/41/1026807441.db2.gz VRHPOGSWIYNFED-IRLDBZIGSA-N 2 2 375.472 3.917 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(N(C)C(=O)c2ccccc2)CC1 ZINC001140027695 1026816994 /nfs/dbraw/zinc/81/69/94/1026816994.db2.gz VTFRZPOXECHCJQ-UHFFFAOYSA-N 2 2 388.515 3.917 20 0 GHADLP COc1c(Cl)cccc1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001140060977 1026841227 /nfs/dbraw/zinc/84/12/27/1026841227.db2.gz UEVJMIGWYGIADW-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP COc1c(Cl)cccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001140060977 1026841235 /nfs/dbraw/zinc/84/12/35/1026841235.db2.gz UEVJMIGWYGIADW-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP C[NH+]1CC2(C1)CC[NH+](Cc1nc(Cl)ccc1NC(=O)OC(C)(C)C)CC2 ZINC001140188097 1026960916 /nfs/dbraw/zinc/96/09/16/1026960916.db2.gz LPMPRDXONJPRGF-UHFFFAOYSA-N 2 2 380.920 3.610 20 0 GHADLP [NH3+]CCN(Cc1ccc(Cl)cc1Cl)c1cc(N2CCCCC2)[nH+]cn1 ZINC001166911161 1027149815 /nfs/dbraw/zinc/14/98/15/1027149815.db2.gz WRRLPZHUBPAKKM-UHFFFAOYSA-N 2 2 380.323 3.739 20 0 GHADLP Cc1cc(CNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)cc(C)[nH+]1 ZINC001276417733 1027568726 /nfs/dbraw/zinc/56/87/26/1027568726.db2.gz DJHKTGBVNZRFFC-LJQANCHMSA-N 2 2 381.520 3.882 20 0 GHADLP Cc1cc(CNC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)cc(C)[nH+]1 ZINC001276417733 1027568745 /nfs/dbraw/zinc/56/87/45/1027568745.db2.gz DJHKTGBVNZRFFC-LJQANCHMSA-N 2 2 381.520 3.882 20 0 GHADLP CN(C)c1ccc([NH+]2CCC(N(CC[NH3+])c3ccc4ccccc4n3)CC2)cc1 ZINC000840957251 1027986781 /nfs/dbraw/zinc/98/67/81/1027986781.db2.gz KELKPIAPHBQTLS-UHFFFAOYSA-N 2 2 389.547 3.735 20 0 GHADLP C[C@@H]1CC[C@@](C)(/C=C/C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000841388506 1028554783 /nfs/dbraw/zinc/55/47/83/1028554783.db2.gz XAPBDVIWLQIOKO-IWWFEXJGSA-N 2 2 375.601 3.680 20 0 GHADLP CNc1nc(Cl)ncc1C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001142485103 1028984855 /nfs/dbraw/zinc/98/48/55/1028984855.db2.gz ANNZCJXDYPOVAH-UHFFFAOYSA-N 2 2 391.972 3.721 20 0 GHADLP CNc1nc(Cl)ncc1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001142485103 1028984857 /nfs/dbraw/zinc/98/48/57/1028984857.db2.gz ANNZCJXDYPOVAH-UHFFFAOYSA-N 2 2 391.972 3.721 20 0 GHADLP C[N@@H+]1CCC[C@H](NC(=O)CC2=C(c3ccccc3)[NH2+]C(c3ccccc3)S2)C1 ZINC001142486912 1028985825 /nfs/dbraw/zinc/98/58/25/1028985825.db2.gz OWQZXLZLSMYBLM-IBGZPJMESA-N 2 2 392.548 3.830 20 0 GHADLP C[N@H+]1CCC[C@H](NC(=O)CC2=C(c3ccccc3)[NH2+]C(c3ccccc3)S2)C1 ZINC001142486912 1028985828 /nfs/dbraw/zinc/98/58/28/1028985828.db2.gz OWQZXLZLSMYBLM-IBGZPJMESA-N 2 2 392.548 3.830 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1Nc1ccccc1C[NH+]1CCCC1 ZINC001215550726 1029276174 /nfs/dbraw/zinc/27/61/74/1029276174.db2.gz UIPLYIVWCKEKKD-UHFFFAOYSA-N 2 2 381.520 3.867 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCCCNc3cccc[nH+]3)C[C@@H]2C1 ZINC000842674728 1029479513 /nfs/dbraw/zinc/47/95/13/1029479513.db2.gz AFXPGFFSXVHXQK-IPMKNSEASA-N 2 2 388.556 3.899 20 0 GHADLP Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000843048232 1029786423 /nfs/dbraw/zinc/78/64/23/1029786423.db2.gz DBBUXJIKJQBKKZ-GFCCVEGCSA-N 2 2 387.742 3.981 20 0 GHADLP Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000843048232 1029786435 /nfs/dbraw/zinc/78/64/35/1029786435.db2.gz DBBUXJIKJQBKKZ-GFCCVEGCSA-N 2 2 387.742 3.981 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cccc3n[nH]cc31)CC2 ZINC001143090094 1029837946 /nfs/dbraw/zinc/83/79/46/1029837946.db2.gz IRGNZNFDGISSLP-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cccc3n[nH]cc31)CC2 ZINC001143090094 1029837951 /nfs/dbraw/zinc/83/79/51/1029837951.db2.gz IRGNZNFDGISSLP-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP Fc1cc(C[NH+]2CCC3(C[NH2+]C3)CC2)c(Br)cc1Br ZINC001222207941 1030004754 /nfs/dbraw/zinc/00/47/54/1030004754.db2.gz GOVPWTZYMQKNLF-UHFFFAOYSA-N 2 2 392.110 3.536 20 0 GHADLP CCOc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc(Br)c1OC ZINC001461605681 1069637105 /nfs/dbraw/zinc/63/71/05/1069637105.db2.gz KVBAHOSFQVGXCZ-DLBZAZTESA-N 2 2 397.357 3.963 20 0 GHADLP CCOc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc(Br)c1OC ZINC001461605681 1069637108 /nfs/dbraw/zinc/63/71/08/1069637108.db2.gz KVBAHOSFQVGXCZ-DLBZAZTESA-N 2 2 397.357 3.963 20 0 GHADLP CC(C)Oc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c(Br)cn1 ZINC001222321571 1030070159 /nfs/dbraw/zinc/07/01/59/1030070159.db2.gz ZCRYSFQMXPFBCP-GOSISDBHSA-N 2 2 382.346 3.739 20 0 GHADLP CC(C)Oc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(Br)cn1 ZINC001222321571 1030070165 /nfs/dbraw/zinc/07/01/65/1030070165.db2.gz ZCRYSFQMXPFBCP-GOSISDBHSA-N 2 2 382.346 3.739 20 0 GHADLP COc1ccc(-c2noc(-c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)n2)c(F)c1 ZINC001217116895 1030177880 /nfs/dbraw/zinc/17/78/80/1030177880.db2.gz UOENMRYSKUMBFE-UHFFFAOYSA-N 2 2 398.482 3.935 20 0 GHADLP COc1ccc(-c2noc(-c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)n2)c(F)c1 ZINC001217116895 1030177886 /nfs/dbraw/zinc/17/78/86/1030177886.db2.gz UOENMRYSKUMBFE-UHFFFAOYSA-N 2 2 398.482 3.935 20 0 GHADLP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001222576457 1030206578 /nfs/dbraw/zinc/20/65/78/1030206578.db2.gz SYPZXGLGJYRAPC-QHCPKHFHSA-N 3 2 385.596 3.666 20 0 GHADLP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001222576457 1030206587 /nfs/dbraw/zinc/20/65/87/1030206587.db2.gz SYPZXGLGJYRAPC-QHCPKHFHSA-N 3 2 385.596 3.666 20 0 GHADLP Cc1ncc(F)cc1C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590996 1030218583 /nfs/dbraw/zinc/21/85/83/1030218583.db2.gz QIZQQVZJZHJOHZ-JOCHJYFZSA-N 2 2 383.511 3.833 20 0 GHADLP Cc1ncc(F)cc1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590996 1030218596 /nfs/dbraw/zinc/21/85/96/1030218596.db2.gz QIZQQVZJZHJOHZ-JOCHJYFZSA-N 2 2 383.511 3.833 20 0 GHADLP Fc1cc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1OC(F)(F)F ZINC001222601906 1030226829 /nfs/dbraw/zinc/22/68/29/1030226829.db2.gz COUQQWBFUQRFLB-MRXNPFEDSA-N 2 2 380.385 3.913 20 0 GHADLP Fc1cc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1OC(F)(F)F ZINC001222601906 1030226848 /nfs/dbraw/zinc/22/68/48/1030226848.db2.gz COUQQWBFUQRFLB-MRXNPFEDSA-N 2 2 380.385 3.913 20 0 GHADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(Br)cc(OC(F)(F)F)c2)C1 ZINC001206633072 1030460444 /nfs/dbraw/zinc/46/04/44/1030460444.db2.gz SHYTVPGFSBFBJT-NSHDSACASA-N 2 2 381.236 3.909 20 0 GHADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(Br)cc(OC(F)(F)F)c2)C1 ZINC001206633072 1030460460 /nfs/dbraw/zinc/46/04/60/1030460460.db2.gz SHYTVPGFSBFBJT-NSHDSACASA-N 2 2 381.236 3.909 20 0 GHADLP [NH3+]C1CC[NH+](Cc2ccccc2O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001218175523 1030808655 /nfs/dbraw/zinc/80/86/55/1030808655.db2.gz ACKCPZYEZWXSBE-HSZRJFAPSA-N 3 2 379.548 3.653 20 0 GHADLP [NH3+]C1CC[NH+](Cc2ccccc2O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001218175523 1030808684 /nfs/dbraw/zinc/80/86/84/1030808684.db2.gz ACKCPZYEZWXSBE-HSZRJFAPSA-N 3 2 379.548 3.653 20 0 GHADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001151970581 1031062620 /nfs/dbraw/zinc/06/26/20/1031062620.db2.gz SOYRQIRCLKUSQQ-JOCHJYFZSA-N 2 2 378.451 3.583 20 0 GHADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001151970581 1031062634 /nfs/dbraw/zinc/06/26/34/1031062634.db2.gz SOYRQIRCLKUSQQ-JOCHJYFZSA-N 2 2 378.451 3.583 20 0 GHADLP O=C(Nc1cccc2c1C[NH2+]C2)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC001218992641 1031199431 /nfs/dbraw/zinc/19/94/31/1031199431.db2.gz AEVPDMAQQMVNLO-XMMPIXPASA-N 2 2 383.495 3.855 20 0 GHADLP O=C(Nc1cccc2c1C[NH2+]C2)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC001218992641 1031199434 /nfs/dbraw/zinc/19/94/34/1031199434.db2.gz AEVPDMAQQMVNLO-XMMPIXPASA-N 2 2 383.495 3.855 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001154161915 1031959115 /nfs/dbraw/zinc/95/91/15/1031959115.db2.gz SSIYYGDUJIBFMI-TZIWHRDSSA-N 2 2 375.532 3.541 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001154161915 1031959121 /nfs/dbraw/zinc/95/91/21/1031959121.db2.gz SSIYYGDUJIBFMI-TZIWHRDSSA-N 2 2 375.532 3.541 20 0 GHADLP C[NH2+][C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C)c1ccccc1 ZINC001220534124 1031980895 /nfs/dbraw/zinc/98/08/95/1031980895.db2.gz VYFMYKPNKPUGSW-ROUUACIJSA-N 2 2 380.319 3.673 20 0 GHADLP C[C@H]1CCCN(c2cc(N3CCC([N@H+](C)Cc4ccc(F)cc4)CC3)nc[nH+]2)C1 ZINC001157083610 1033406712 /nfs/dbraw/zinc/40/67/12/1033406712.db2.gz ORGIITLNJBEWMS-SFHVURJKSA-N 2 2 397.542 3.953 20 0 GHADLP C[C@H]1CCCN(c2cc(N3CCC([N@@H+](C)Cc4ccc(F)cc4)CC3)nc[nH+]2)C1 ZINC001157083610 1033406719 /nfs/dbraw/zinc/40/67/19/1033406719.db2.gz ORGIITLNJBEWMS-SFHVURJKSA-N 2 2 397.542 3.953 20 0 GHADLP C[C@H]1CCCN(c2cc(N3CCC([N@H+](C)Cc4ccc(F)cc4)CC3)[nH+]cn2)C1 ZINC001157083610 1033406726 /nfs/dbraw/zinc/40/67/26/1033406726.db2.gz ORGIITLNJBEWMS-SFHVURJKSA-N 2 2 397.542 3.953 20 0 GHADLP C[C@H]1CCCN(c2cc(N3CCC([N@@H+](C)Cc4ccc(F)cc4)CC3)[nH+]cn2)C1 ZINC001157083610 1033406739 /nfs/dbraw/zinc/40/67/39/1033406739.db2.gz ORGIITLNJBEWMS-SFHVURJKSA-N 2 2 397.542 3.953 20 0 GHADLP C[N@@H+](Cc1ccccc1-c1ccc(OC(F)(F)F)cc1)C[C@@H]1C[NH2+]CCO1 ZINC001205539476 1033462304 /nfs/dbraw/zinc/46/23/04/1033462304.db2.gz ZPSNVQCAKMXWKB-SFHVURJKSA-N 2 2 380.410 3.672 20 0 GHADLP C[N@H+](Cc1ccccc1-c1ccc(OC(F)(F)F)cc1)C[C@@H]1C[NH2+]CCO1 ZINC001205539476 1033462320 /nfs/dbraw/zinc/46/23/20/1033462320.db2.gz ZPSNVQCAKMXWKB-SFHVURJKSA-N 2 2 380.410 3.672 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)ccc21 ZINC001205601455 1033488898 /nfs/dbraw/zinc/48/88/98/1033488898.db2.gz WCTYRLUJFCSQBU-HXUWFJFHSA-N 2 2 391.519 3.595 20 0 GHADLP O=C(/C=C/c1ccc(Cn2cc[nH+]c2)cc1)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158027606 1033872543 /nfs/dbraw/zinc/87/25/43/1033872543.db2.gz GYHVRSAYAUTGDI-GTCGAKFVSA-N 2 2 392.547 3.717 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc3cnn([C@H]4CCCCO4)c3c2)C1 ZINC001206676644 1033940921 /nfs/dbraw/zinc/94/09/21/1033940921.db2.gz WLQHSNSVCQLJCZ-NZQKXSOJSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc3cnn([C@H]4CCCCO4)c3c2)C1 ZINC001206676644 1033940923 /nfs/dbraw/zinc/94/09/23/1033940923.db2.gz WLQHSNSVCQLJCZ-NZQKXSOJSA-N 2 2 376.504 3.935 20 0 GHADLP CCCCOc1ccccc1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001206846076 1034031277 /nfs/dbraw/zinc/03/12/77/1034031277.db2.gz FHJKGUVAFGFSJP-DEOSSOPVSA-N 2 2 382.548 3.934 20 0 GHADLP CCCCOc1ccccc1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001206846076 1034031294 /nfs/dbraw/zinc/03/12/94/1034031294.db2.gz FHJKGUVAFGFSJP-DEOSSOPVSA-N 2 2 382.548 3.934 20 0 GHADLP CCCCOc1ccccc1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001206846076 1034031312 /nfs/dbraw/zinc/03/13/12/1034031312.db2.gz FHJKGUVAFGFSJP-DEOSSOPVSA-N 2 2 382.548 3.934 20 0 GHADLP CCCCOc1ccccc1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001206846076 1034031327 /nfs/dbraw/zinc/03/13/27/1034031327.db2.gz FHJKGUVAFGFSJP-DEOSSOPVSA-N 2 2 382.548 3.934 20 0 GHADLP CC(C)(C)OC(=O)NCC1CC([NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001207174670 1034145575 /nfs/dbraw/zinc/14/55/75/1034145575.db2.gz NFBYQPAFXDYJDL-XVAXZDLZSA-N 2 2 387.568 3.934 20 0 GHADLP CC(C)(C)OC(=O)NCC1CC([NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001207174670 1034145588 /nfs/dbraw/zinc/14/55/88/1034145588.db2.gz NFBYQPAFXDYJDL-XVAXZDLZSA-N 2 2 387.568 3.934 20 0 GHADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+]CC2CCC3(CCCCC3)CC2)C1 ZINC001207301100 1034253092 /nfs/dbraw/zinc/25/30/92/1034253092.db2.gz BLUUFSRIMPAXDO-JOCHJYFZSA-N 2 2 377.617 3.513 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001207365656 1034309733 /nfs/dbraw/zinc/30/97/33/1034309733.db2.gz CIDFKOQFLGNZIA-FGTMMUONSA-N 2 2 391.581 3.511 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001207365656 1034309745 /nfs/dbraw/zinc/30/97/45/1034309745.db2.gz CIDFKOQFLGNZIA-FGTMMUONSA-N 2 2 391.581 3.511 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001207365656 1034309756 /nfs/dbraw/zinc/30/97/56/1034309756.db2.gz CIDFKOQFLGNZIA-FGTMMUONSA-N 2 2 391.581 3.511 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001207365656 1034309772 /nfs/dbraw/zinc/30/97/72/1034309772.db2.gz CIDFKOQFLGNZIA-FGTMMUONSA-N 2 2 391.581 3.511 20 0 GHADLP [NH3+]C1CCN(c2[nH+]cccc2NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001159262728 1034510039 /nfs/dbraw/zinc/51/00/39/1034510039.db2.gz XCHURFGXSJHJEE-YADHBBJMSA-N 3 2 389.547 3.742 20 0 GHADLP [NH3+]C1CCN(c2[nH+]cccc2NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001159262728 1034510052 /nfs/dbraw/zinc/51/00/52/1034510052.db2.gz XCHURFGXSJHJEE-YADHBBJMSA-N 3 2 389.547 3.742 20 0 GHADLP Cc1cc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)nc(C(C)C)[nH+]1 ZINC001159467601 1034610007 /nfs/dbraw/zinc/61/00/07/1034610007.db2.gz PPSQBAPJSPMSDW-UHFFFAOYSA-N 3 2 377.536 3.818 20 0 GHADLP Cc1cccc(N2CCC[C@@]3(C2)C[N@H+](CC2(C[NH+](C)C)CCCC2)CCO3)c1 ZINC001208184336 1034780671 /nfs/dbraw/zinc/78/06/71/1034780671.db2.gz BAZOMZLNWBKGIQ-DEOSSOPVSA-N 2 2 385.596 3.788 20 0 GHADLP Cc1cccc(N2CCC[C@@]3(C2)C[N@@H+](CC2(C[NH+](C)C)CCCC2)CCO3)c1 ZINC001208184336 1034780681 /nfs/dbraw/zinc/78/06/81/1034780681.db2.gz BAZOMZLNWBKGIQ-DEOSSOPVSA-N 2 2 385.596 3.788 20 0 GHADLP CCN(CC[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001208583104 1034940384 /nfs/dbraw/zinc/94/03/84/1034940384.db2.gz WAORIBKNKHLANQ-UHFFFAOYSA-N 2 2 393.547 3.979 20 0 GHADLP CCN(CC[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001208583104 1034940392 /nfs/dbraw/zinc/94/03/92/1034940392.db2.gz WAORIBKNKHLANQ-UHFFFAOYSA-N 2 2 393.547 3.979 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ncccc1Cl)CC2 ZINC001231957595 1035006639 /nfs/dbraw/zinc/00/66/39/1035006639.db2.gz HTDAALJQBLVOCH-MRXNPFEDSA-N 2 2 375.900 3.584 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ncccc1Cl)CC2 ZINC001231957595 1035006648 /nfs/dbraw/zinc/00/66/48/1035006648.db2.gz HTDAALJQBLVOCH-MRXNPFEDSA-N 2 2 375.900 3.584 20 0 GHADLP c1ccc(COCCCCC[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208810265 1035032467 /nfs/dbraw/zinc/03/24/67/1035032467.db2.gz GBEXGLLUXFZJOW-GOTSBHOMSA-N 2 2 379.548 3.832 20 0 GHADLP Brc1ccc2c(C3C[NH+](Cc4cc5c[nH+]ccc5[nH]4)C3)ncn2c1 ZINC001232016218 1035045125 /nfs/dbraw/zinc/04/51/25/1035045125.db2.gz VCHNLTGQSSLXTN-UHFFFAOYSA-N 2 2 382.265 3.573 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[NH+](C[C@@H]4CC[N@H+](Cc5ccccc5)C4)C[C@H]3C2)c1 ZINC001208943892 1035113854 /nfs/dbraw/zinc/11/38/54/1035113854.db2.gz WFNMEPNXTONERI-VSKRKVRLSA-N 3 2 381.589 3.634 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[NH+](C[C@@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)c1 ZINC001208943892 1035113859 /nfs/dbraw/zinc/11/38/59/1035113859.db2.gz WFNMEPNXTONERI-VSKRKVRLSA-N 3 2 381.589 3.634 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[N@H+](C[C@@H]4CC[NH+](Cc5ccccc5)C4)C[C@H]3C2)c1 ZINC001208943892 1035113861 /nfs/dbraw/zinc/11/38/61/1035113861.db2.gz WFNMEPNXTONERI-VSKRKVRLSA-N 3 2 381.589 3.634 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](C[C@@H]4CC[NH+](Cc5ccccc5)C4)C[C@H]3C2)c1 ZINC001208943892 1035113864 /nfs/dbraw/zinc/11/38/64/1035113864.db2.gz WFNMEPNXTONERI-VSKRKVRLSA-N 3 2 381.589 3.634 20 0 GHADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)C[C@H]([NH3+])Cc1cccc2ccccc21 ZINC001161031064 1035122703 /nfs/dbraw/zinc/12/27/03/1035122703.db2.gz RFEXQNAEHCAYMA-JOCHJYFZSA-N 2 2 398.510 3.944 20 0 GHADLP COC1CCC(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)CC1 ZINC001209391623 1035266724 /nfs/dbraw/zinc/26/67/24/1035266724.db2.gz RIDZRIUDZACHPQ-UHFFFAOYSA-N 2 2 383.536 3.870 20 0 GHADLP COC1CCC(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)CC1 ZINC001209391623 1035266729 /nfs/dbraw/zinc/26/67/29/1035266729.db2.gz RIDZRIUDZACHPQ-UHFFFAOYSA-N 2 2 383.536 3.870 20 0 GHADLP COC1CCC(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)CC1 ZINC001209391623 1035266731 /nfs/dbraw/zinc/26/67/31/1035266731.db2.gz RIDZRIUDZACHPQ-UHFFFAOYSA-N 2 2 383.536 3.870 20 0 GHADLP COC1CCC(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)CC1 ZINC001209391623 1035266738 /nfs/dbraw/zinc/26/67/38/1035266738.db2.gz RIDZRIUDZACHPQ-UHFFFAOYSA-N 2 2 383.536 3.870 20 0 GHADLP C[NH+]1CCN(c2cccc(N[C@@H](c3ccc(C(F)(F)F)cn3)C3CC3)[nH+]2)CC1 ZINC001161786706 1035302235 /nfs/dbraw/zinc/30/22/35/1035302235.db2.gz KOXVNCGHTURMFU-LJQANCHMSA-N 2 2 391.441 3.810 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1c3ccccc3nn1C)CC2 ZINC001209532896 1035306735 /nfs/dbraw/zinc/30/67/35/1035306735.db2.gz QHFXPHYUDAKFSX-UHFFFAOYSA-N 2 2 393.535 3.809 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1c3ccccc3nn1C)CC2 ZINC001209532896 1035306738 /nfs/dbraw/zinc/30/67/38/1035306738.db2.gz QHFXPHYUDAKFSX-UHFFFAOYSA-N 2 2 393.535 3.809 20 0 GHADLP [NH3+][C@@H](Cc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1)Cc1ccccc1Cl ZINC001248228425 1035663144 /nfs/dbraw/zinc/66/31/44/1035663144.db2.gz YCULLAMZTPGNFF-MRXNPFEDSA-N 2 2 379.851 3.688 20 0 GHADLP COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CC[NH2+]CC3)n2)c2ccccc12 ZINC001248253470 1035704601 /nfs/dbraw/zinc/70/46/01/1035704601.db2.gz QZAOZUFZDBZTAG-IBGZPJMESA-N 2 2 378.476 3.787 20 0 GHADLP COc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CC[NH2+]CC3)n2)c2ccccc12 ZINC001248253470 1035704620 /nfs/dbraw/zinc/70/46/20/1035704620.db2.gz QZAOZUFZDBZTAG-IBGZPJMESA-N 2 2 378.476 3.787 20 0 GHADLP C[N@@H+]1CCc2oc(-c3ccc(-c4ccccc4C[NH+]4CCOCC4)cc3)nc2C1 ZINC001241995627 1035784734 /nfs/dbraw/zinc/78/47/34/1035784734.db2.gz RQRPIEUDZFSGEU-UHFFFAOYSA-N 2 2 389.499 3.829 20 0 GHADLP C[N@H+]1CCc2oc(-c3ccc(-c4ccccc4C[NH+]4CCOCC4)cc3)nc2C1 ZINC001241995627 1035784752 /nfs/dbraw/zinc/78/47/52/1035784752.db2.gz RQRPIEUDZFSGEU-UHFFFAOYSA-N 2 2 389.499 3.829 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3c4ccoc4ccc3F)CC[C@@H]21 ZINC001248531009 1035936692 /nfs/dbraw/zinc/93/66/92/1035936692.db2.gz ICANOCPCHYIRLA-WWMYMODYSA-N 2 2 397.498 3.537 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3c4ccoc4ccc3F)CC[C@@H]21 ZINC001248531009 1035936697 /nfs/dbraw/zinc/93/66/97/1035936697.db2.gz ICANOCPCHYIRLA-WWMYMODYSA-N 2 2 397.498 3.537 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3c4ccoc4ccc3F)CC[C@@H]21 ZINC001248531009 1035936703 /nfs/dbraw/zinc/93/67/03/1035936703.db2.gz ICANOCPCHYIRLA-WWMYMODYSA-N 2 2 397.498 3.537 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3c4ccoc4ccc3F)CC[C@@H]21 ZINC001248531009 1035936712 /nfs/dbraw/zinc/93/67/12/1035936712.db2.gz ICANOCPCHYIRLA-WWMYMODYSA-N 2 2 397.498 3.537 20 0 GHADLP CCCN(CCC)C(=O)c1cccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001244213907 1036433038 /nfs/dbraw/zinc/43/30/38/1036433038.db2.gz HTXOVARVQAAMGW-UHFFFAOYSA-N 2 2 376.504 3.950 20 0 GHADLP COC(=O)c1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1C(F)(F)F ZINC001244599699 1036562321 /nfs/dbraw/zinc/56/23/21/1036562321.db2.gz XIQWZFFHSQVZSM-HNNXBMFYSA-N 2 2 378.394 3.692 20 0 GHADLP COC(=O)c1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1C(F)(F)F ZINC001244599699 1036562338 /nfs/dbraw/zinc/56/23/38/1036562338.db2.gz XIQWZFFHSQVZSM-HNNXBMFYSA-N 2 2 378.394 3.692 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)c1cc(Cl)ccc1Cl ZINC001245975952 1037101106 /nfs/dbraw/zinc/10/11/06/1037101106.db2.gz AGQVYDRLPGVXQA-WQRJOSILSA-N 2 2 389.273 3.853 20 0 GHADLP COC(=O)c1ccc(C2([NH2+][C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)cc1 ZINC001246114424 1037198854 /nfs/dbraw/zinc/19/88/54/1037198854.db2.gz MDMMEYBQIZPHEB-FPOVZHCZSA-N 2 2 382.479 3.993 20 0 GHADLP [NH3+]C1CC([NH2+][C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246112781 1037199267 /nfs/dbraw/zinc/19/92/67/1037199267.db2.gz OEGATVRUVRQQOK-IJHFPEKYSA-N 3 2 375.560 3.831 20 0 GHADLP [NH3+]C1CC([NH2+][C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246112781 1037199281 /nfs/dbraw/zinc/19/92/81/1037199281.db2.gz OEGATVRUVRQQOK-IJHFPEKYSA-N 3 2 375.560 3.831 20 0 GHADLP C[C@@]1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH2+]CC1(F)F ZINC001246218577 1037243232 /nfs/dbraw/zinc/24/32/32/1037243232.db2.gz BOSUSCPCCUIHGE-BURNTYAHSA-N 3 2 377.523 3.797 20 0 GHADLP C[C@@]1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH2+]CC1(F)F ZINC001246218577 1037243242 /nfs/dbraw/zinc/24/32/42/1037243242.db2.gz BOSUSCPCCUIHGE-BURNTYAHSA-N 3 2 377.523 3.797 20 0 GHADLP COC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246349154 1037310645 /nfs/dbraw/zinc/31/06/45/1037310645.db2.gz HCIPRMPEJJZSJO-UCLAIMLFSA-N 2 2 385.335 3.589 20 0 GHADLP COc1ccccc1CN1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246360816 1037320012 /nfs/dbraw/zinc/32/00/12/1037320012.db2.gz IILIUSYQZSXOGU-FUPPJEDESA-N 2 2 397.538 3.800 20 0 GHADLP COc1ccccc1C[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246360816 1037320025 /nfs/dbraw/zinc/32/00/25/1037320025.db2.gz IILIUSYQZSXOGU-FUPPJEDESA-N 2 2 397.538 3.800 20 0 GHADLP COc1ccccc1C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246360816 1037320041 /nfs/dbraw/zinc/32/00/41/1037320041.db2.gz IILIUSYQZSXOGU-FUPPJEDESA-N 2 2 397.538 3.800 20 0 GHADLP Fc1ccccc1CC1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]CC1 ZINC001246381856 1037341829 /nfs/dbraw/zinc/34/18/29/1037341829.db2.gz SLLHFDFOSCRVRA-UHFFFAOYSA-N 3 2 395.566 3.787 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]Cc2ccnc(OCC3CCC3)n2)CC[NH2+]1 ZINC001246434028 1037395525 /nfs/dbraw/zinc/39/55/25/1037395525.db2.gz LLAIHEKFABENBF-NQIIRXRSSA-N 2 2 384.499 3.686 20 0 GHADLP FC(F)(F)c1cccnc1N1CC[NH+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC001246528119 1037460272 /nfs/dbraw/zinc/46/02/72/1037460272.db2.gz FWMQDMZBHKSRIF-HKUYNNGSSA-N 2 2 390.453 3.716 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH+]2CCN(c3noc4ccccc43)CC2)CC[NH2+]1 ZINC001246529702 1037463375 /nfs/dbraw/zinc/46/33/75/1037463375.db2.gz UDLXBKBGFUAALN-GHTZIAJQSA-N 2 2 394.494 3.891 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246540923 1037473477 /nfs/dbraw/zinc/47/34/77/1037473477.db2.gz UDOMZURWJGPDLY-LMMKCTJWSA-N 2 2 378.488 3.953 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246540923 1037473485 /nfs/dbraw/zinc/47/34/85/1037473485.db2.gz UDOMZURWJGPDLY-LMMKCTJWSA-N 2 2 378.488 3.953 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH+]2CCC3(CCC[NH2+]3)CC2)CC1 ZINC001246624675 1037514724 /nfs/dbraw/zinc/51/47/24/1037514724.db2.gz NZJDFXYCGUGYLD-UHFFFAOYSA-N 2 2 390.955 3.911 20 0 GHADLP CC(C)n1cnc2c1cc(C1CC[NH+]([C@@H]3CCC[NH2+]C3)CC1)nc2N1CCCC1 ZINC001246691880 1037551448 /nfs/dbraw/zinc/55/14/48/1037551448.db2.gz UMXLPRMQIRFKJX-LJQANCHMSA-N 2 2 396.583 3.544 20 0 GHADLP C(OC[C@@H]1COCCC12CC[NH+]([C@H]1CC[NH2+]C3(CCCCC3)C1)CC2)C1CC1 ZINC001246738149 1037582819 /nfs/dbraw/zinc/58/28/19/1037582819.db2.gz MBBWVDFPFSVBCB-VXKWHMMOSA-N 2 2 390.612 3.987 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CC[NH+](Cc3ccccc3F)CC2)CC[NH2+]1 ZINC001246789317 1037628343 /nfs/dbraw/zinc/62/83/43/1037628343.db2.gz XFGWCSKROOLBKH-REWPJTCUSA-N 2 2 385.502 3.884 20 0 GHADLP Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN([C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246789614 1037629085 /nfs/dbraw/zinc/62/90/85/1037629085.db2.gz MIASCWQYCDPGQZ-JOCHJYFZSA-N 2 2 385.502 3.814 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH+]2CCN(c3nccc4occc43)CC2)CC[NH2+]1 ZINC001246815410 1037646994 /nfs/dbraw/zinc/64/69/94/1037646994.db2.gz BTKOKJDABHLPJY-GHTZIAJQSA-N 2 2 394.494 3.891 20 0 GHADLP C[C@H]1C[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001246880069 1037694692 /nfs/dbraw/zinc/69/46/92/1037694692.db2.gz PJYIWUQGUOJPNQ-KTJVCJKDSA-N 3 2 375.560 3.513 20 0 GHADLP C[C@H]1C[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246880069 1037694711 /nfs/dbraw/zinc/69/47/11/1037694711.db2.gz PJYIWUQGUOJPNQ-KTJVCJKDSA-N 3 2 375.560 3.513 20 0 GHADLP C[C@H]1C[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001246880069 1037694722 /nfs/dbraw/zinc/69/47/22/1037694722.db2.gz PJYIWUQGUOJPNQ-KTJVCJKDSA-N 3 2 375.560 3.513 20 0 GHADLP C[C@H]1C[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001246880069 1037694736 /nfs/dbraw/zinc/69/47/36/1037694736.db2.gz PJYIWUQGUOJPNQ-KTJVCJKDSA-N 3 2 375.560 3.513 20 0 GHADLP CCOC(=O)[C@@H]1C[C@@H](n2cc(C[NH2+]Cc3ccccc3)c3ccccc32)CC[NH2+]1 ZINC001246913752 1037721906 /nfs/dbraw/zinc/72/19/06/1037721906.db2.gz LPISSZWBTRQLNX-UNMCSNQZSA-N 2 2 391.515 3.787 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)nc1 ZINC001246973794 1037798198 /nfs/dbraw/zinc/79/81/98/1037798198.db2.gz OWADIDWUHSAVMW-ZVDOUQERSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)nc1 ZINC001246973794 1037798211 /nfs/dbraw/zinc/79/82/11/1037798211.db2.gz OWADIDWUHSAVMW-ZVDOUQERSA-N 2 2 384.499 3.569 20 0 GHADLP CC[N@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246974835 1037800440 /nfs/dbraw/zinc/80/04/40/1037800440.db2.gz JZUIABORWACYFW-DSNGMDLFSA-N 2 2 393.575 3.703 20 0 GHADLP CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246974835 1037800467 /nfs/dbraw/zinc/80/04/67/1037800467.db2.gz JZUIABORWACYFW-DSNGMDLFSA-N 2 2 393.575 3.703 20 0 GHADLP FC(F)(F)[C@H]1C[N@H+](Cc2ccccc2)CCN1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246993167 1037817782 /nfs/dbraw/zinc/81/77/82/1037817782.db2.gz LHEWEEDGBHONKX-RBUKOAKNSA-N 2 2 381.486 3.657 20 0 GHADLP FC(F)(F)[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246993167 1037817794 /nfs/dbraw/zinc/81/77/94/1037817794.db2.gz LHEWEEDGBHONKX-RBUKOAKNSA-N 2 2 381.486 3.657 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(C)n1 ZINC001232334230 1038115144 /nfs/dbraw/zinc/11/51/44/1038115144.db2.gz WMUMOXAMBKJPHA-BVSLBCMMSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(C)n1 ZINC001232334230 1038115158 /nfs/dbraw/zinc/11/51/58/1038115158.db2.gz WMUMOXAMBKJPHA-BVSLBCMMSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(C)n1 ZINC001232334230 1038115167 /nfs/dbraw/zinc/11/51/67/1038115167.db2.gz WMUMOXAMBKJPHA-BVSLBCMMSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(C)n1 ZINC001232334230 1038115178 /nfs/dbraw/zinc/11/51/78/1038115178.db2.gz WMUMOXAMBKJPHA-BVSLBCMMSA-N 2 2 380.536 3.526 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cn4cc(F)ccc4n3)C[C@@H]21 ZINC001232411944 1038196454 /nfs/dbraw/zinc/19/64/54/1038196454.db2.gz GNRDKEADQPLDCU-VOQZNFBZSA-N 2 2 393.510 3.601 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cn4cc(F)ccc4n3)C[C@@H]21 ZINC001232411944 1038196457 /nfs/dbraw/zinc/19/64/57/1038196457.db2.gz GNRDKEADQPLDCU-VOQZNFBZSA-N 2 2 393.510 3.601 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cn4cc(F)ccc4n3)C[C@@H]21 ZINC001232411944 1038196462 /nfs/dbraw/zinc/19/64/62/1038196462.db2.gz GNRDKEADQPLDCU-VOQZNFBZSA-N 2 2 393.510 3.601 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cn4cc(F)ccc4n3)C[C@@H]21 ZINC001232411944 1038196466 /nfs/dbraw/zinc/19/64/66/1038196466.db2.gz GNRDKEADQPLDCU-VOQZNFBZSA-N 2 2 393.510 3.601 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CCC1 ZINC001462260345 1070128369 /nfs/dbraw/zinc/12/83/69/1070128369.db2.gz QWZSNEYLSSCHFK-NFBKMPQASA-N 2 2 399.579 3.888 20 0 GHADLP Cc1c(Br)ccc(-c2noc(-c3ccc([C@H]([NH3+])C[NH3+])cc3)n2)c1F ZINC001247700281 1038338243 /nfs/dbraw/zinc/33/82/43/1038338243.db2.gz MJMJHRIGSBGDCW-CQSZACIVSA-N 2 2 391.244 3.572 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CCC1 ZINC001462260345 1070128382 /nfs/dbraw/zinc/12/83/82/1070128382.db2.gz QWZSNEYLSSCHFK-NFBKMPQASA-N 2 2 399.579 3.888 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC001462262876 1070129692 /nfs/dbraw/zinc/12/96/92/1070129692.db2.gz XKBCLJWMZKBXLJ-RTBURBONSA-N 2 2 394.506 3.998 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC001462262876 1070129697 /nfs/dbraw/zinc/12/96/97/1070129697.db2.gz XKBCLJWMZKBXLJ-RTBURBONSA-N 2 2 394.506 3.998 20 0 GHADLP FC(F)(F)[C@@H]1CC[C@H](c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)[NH2+]C1 ZINC001247763497 1038369648 /nfs/dbraw/zinc/36/96/48/1038369648.db2.gz VSYNWRDIQHTCLJ-SNVZYIDKSA-N 2 2 393.413 3.801 20 0 GHADLP FC(F)(F)c1ccc(Cl)cc1-c1noc([C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001247862365 1038432655 /nfs/dbraw/zinc/43/26/55/1038432655.db2.gz VNFMXHBJRKLFCI-ZDUSSCGKSA-N 2 2 386.805 3.956 20 0 GHADLP FC(F)(F)c1ccc(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c(Cl)c1 ZINC001247863127 1038433784 /nfs/dbraw/zinc/43/37/84/1038433784.db2.gz YJYGBFAHZOXEDM-ZDUSSCGKSA-N 2 2 386.805 3.956 20 0 GHADLP Clc1cc(Br)cc(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c1 ZINC001247863350 1038434704 /nfs/dbraw/zinc/43/47/04/1038434704.db2.gz ZLUIRILYFRVVGY-ZDUSSCGKSA-N 2 2 397.704 3.699 20 0 GHADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cnn(-c4cccc(C(F)(F)F)c4)c3)C[C@H]2C1 ZINC001233043196 1038801537 /nfs/dbraw/zinc/80/15/37/1038801537.db2.gz MVEOJHIDPDXWGO-IAGOWNOFSA-N 2 2 378.442 3.665 20 0 GHADLP C[NH+]1CCC([N@H+](C[C@H](O)COc2cccc3ccccc32)C2CCCC2)CC1 ZINC001252388407 1038971464 /nfs/dbraw/zinc/97/14/64/1038971464.db2.gz WDVAZEIYKFFAOZ-QFIPXVFZSA-N 2 2 382.548 3.918 20 0 GHADLP C[NH+]1CCC([N@@H+](C[C@H](O)COc2cccc3ccccc32)C2CCCC2)CC1 ZINC001252388407 1038971471 /nfs/dbraw/zinc/97/14/71/1038971471.db2.gz WDVAZEIYKFFAOZ-QFIPXVFZSA-N 2 2 382.548 3.918 20 0 GHADLP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001233249367 1039008839 /nfs/dbraw/zinc/00/88/39/1039008839.db2.gz TVPPIRHJMSDUFS-HJNYFJLDSA-N 2 2 399.970 3.615 20 0 GHADLP Cc1ccc(Cl)cc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001233249367 1039008854 /nfs/dbraw/zinc/00/88/54/1039008854.db2.gz TVPPIRHJMSDUFS-HJNYFJLDSA-N 2 2 399.970 3.615 20 0 GHADLP Cc1ccc(Cl)cc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001233249367 1039008867 /nfs/dbraw/zinc/00/88/67/1039008867.db2.gz TVPPIRHJMSDUFS-HJNYFJLDSA-N 2 2 399.970 3.615 20 0 GHADLP Cc1ccc(Cl)cc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001233249367 1039008886 /nfs/dbraw/zinc/00/88/86/1039008886.db2.gz TVPPIRHJMSDUFS-HJNYFJLDSA-N 2 2 399.970 3.615 20 0 GHADLP Cc1cc(F)cc(C[NH+]2CCC([NH2+]C[C@H](O)c3ccc(F)c(F)c3)CC2)c1 ZINC001253377245 1039586108 /nfs/dbraw/zinc/58/61/08/1039586108.db2.gz PWNOCIGDWCGTSU-NRFANRHFSA-N 2 2 378.438 3.700 20 0 GHADLP COc1ccc(COCCCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001253749057 1039794524 /nfs/dbraw/zinc/79/45/24/1039794524.db2.gz CMGIWKWXDOJHCZ-UHFFFAOYSA-N 2 2 380.448 3.520 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@H](Oc3cc(C)ccn3)C2)ccc1-n1cc[nH+]c1 ZINC001234085750 1039825120 /nfs/dbraw/zinc/82/51/20/1039825120.db2.gz WINUDJFZQRDPBS-LJQANCHMSA-N 2 2 378.476 3.628 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@H](Oc3cc(C)ccn3)C2)ccc1-n1cc[nH+]c1 ZINC001234085750 1039825136 /nfs/dbraw/zinc/82/51/36/1039825136.db2.gz WINUDJFZQRDPBS-LJQANCHMSA-N 2 2 378.476 3.628 20 0 GHADLP Cc1[nH+]c[nH]c1CSCC[NH2+]C[C@H](O)C(c1ccccc1)c1ccccc1 ZINC001253936906 1039913745 /nfs/dbraw/zinc/91/37/45/1039913745.db2.gz BFQZCGYVNCWSHV-NRFANRHFSA-N 2 2 381.545 3.734 20 0 GHADLP Cc1ccc(N([C@H]2Cc3ccc(Br)cc3C2)C2CC[NH2+]CC2)[nH+]c1 ZINC001254286058 1040135211 /nfs/dbraw/zinc/13/52/11/1040135211.db2.gz HEDVDRLDYYPKOC-IBGZPJMESA-N 2 2 386.337 3.878 20 0 GHADLP CCC[C@H](CCc1ccccc1)[NH2+]C1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001254487592 1040273144 /nfs/dbraw/zinc/27/31/44/1040273144.db2.gz QIYZPXOACUEAGY-HSZRJFAPSA-N 2 2 393.575 3.898 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1cccc(-c3cc[nH]n3)c1)CC2 ZINC001235020963 1040513067 /nfs/dbraw/zinc/51/30/67/1040513067.db2.gz WGHAGTMNNGACFZ-UHFFFAOYSA-N 2 2 388.515 3.722 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1cccc(-c3cc[nH]n3)c1)CC2 ZINC001235020963 1040513083 /nfs/dbraw/zinc/51/30/83/1040513083.db2.gz WGHAGTMNNGACFZ-UHFFFAOYSA-N 2 2 388.515 3.722 20 0 GHADLP Brc1cc(C[NH+]2CCC3(CCOC3)CC2)ccc1-n1cc[nH+]c1 ZINC001235021770 1040514602 /nfs/dbraw/zinc/51/46/02/1040514602.db2.gz YJBSQDFHXRBEPL-UHFFFAOYSA-N 2 2 376.298 3.637 20 0 GHADLP CC(C)[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)C[C@@H]1C ZINC001235037841 1040532071 /nfs/dbraw/zinc/53/20/71/1040532071.db2.gz ICCOKZBUDFLUCY-HNNXBMFYSA-N 2 2 377.330 3.549 20 0 GHADLP CC(C)[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)C[C@@H]1C ZINC001235037841 1040532088 /nfs/dbraw/zinc/53/20/88/1040532088.db2.gz ICCOKZBUDFLUCY-HNNXBMFYSA-N 2 2 377.330 3.549 20 0 GHADLP CC(C)(C)OC(=O)N1c2ccccc2CC[C@H]1C[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254842580 1040586955 /nfs/dbraw/zinc/58/69/55/1040586955.db2.gz FJGZIRPUSCEKNG-PMACEKPBSA-N 2 2 385.552 3.817 20 0 GHADLP Brc1cccc(C2(C[NH2+][C@H]3CC4CC[NH+](CC4)C3)CCOCC2)c1 ZINC001254845160 1040588700 /nfs/dbraw/zinc/58/87/00/1040588700.db2.gz NGRKULYHOYJGFY-IBGZPJMESA-N 2 2 393.369 3.571 20 0 GHADLP c1cncc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(Oc5cccnc5)cc4)C[C@@H]3C2)c1 ZINC001235111826 1040596329 /nfs/dbraw/zinc/59/63/29/1040596329.db2.gz ZSTJDRCQZCORIY-FGZHOGPDSA-N 2 2 386.499 3.833 20 0 GHADLP COc1cc(C)c(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1OCc1ccccc1 ZINC001235118045 1040607778 /nfs/dbraw/zinc/60/77/78/1040607778.db2.gz LQMRQSGJXGWYQF-DEOSSOPVSA-N 2 2 396.531 3.537 20 0 GHADLP COc1cc(C)c(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1OCc1ccccc1 ZINC001235118045 1040607793 /nfs/dbraw/zinc/60/77/93/1040607793.db2.gz LQMRQSGJXGWYQF-DEOSSOPVSA-N 2 2 396.531 3.537 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](n3c[nH+]cc3-c3ccc(C[NH3+])cc3)C[C@@H]2C1 ZINC001254902361 1040657525 /nfs/dbraw/zinc/65/75/25/1040657525.db2.gz TVHNKVQBRPOYOY-REPLKXPHSA-N 2 2 382.508 3.827 20 0 GHADLP CCOC(=O)C1CCN(c2ccccc2C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)CC1 ZINC001235179533 1040669585 /nfs/dbraw/zinc/66/95/85/1040669585.db2.gz QXYSQFHBQQSTAR-DEOSSOPVSA-N 2 2 399.579 3.574 20 0 GHADLP CCOC(=O)C1CCN(c2ccccc2C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)CC1 ZINC001235179533 1040669597 /nfs/dbraw/zinc/66/95/97/1040669597.db2.gz QXYSQFHBQQSTAR-DEOSSOPVSA-N 2 2 399.579 3.574 20 0 GHADLP FC(F)(F)Oc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC001235197185 1040685742 /nfs/dbraw/zinc/68/57/42/1040685742.db2.gz DGURMTKUIOWURD-HZPDHXFCSA-N 2 2 377.410 3.689 20 0 GHADLP FC(F)(F)Oc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC001235197185 1040685745 /nfs/dbraw/zinc/68/57/45/1040685745.db2.gz DGURMTKUIOWURD-HZPDHXFCSA-N 2 2 377.410 3.689 20 0 GHADLP Brc1ccc2[nH]nc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)c2c1 ZINC001235226787 1040708089 /nfs/dbraw/zinc/70/80/89/1040708089.db2.gz FJOHYGSOSCGZBW-MRXNPFEDSA-N 2 2 377.330 3.680 20 0 GHADLP COCCCOc1ccc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235251500 1040733711 /nfs/dbraw/zinc/73/37/11/1040733711.db2.gz TYMSFZYYMMWBFD-DNQXCXABSA-N 2 2 380.532 3.824 20 0 GHADLP COCCCOc1ccc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235251500 1040733728 /nfs/dbraw/zinc/73/37/28/1040733728.db2.gz TYMSFZYYMMWBFD-DNQXCXABSA-N 2 2 380.532 3.824 20 0 GHADLP O=C(C[C@@H]1CC2(CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)c2ccccc21)NCC1CC1 ZINC001235253198 1040736213 /nfs/dbraw/zinc/73/62/13/1040736213.db2.gz DAADDMFXYWVZIX-NHCUHLMSSA-N 2 2 395.591 3.566 20 0 GHADLP CCOC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccnc1 ZINC001255129490 1040822939 /nfs/dbraw/zinc/82/29/39/1040822939.db2.gz ZSBDGWFRICVJIN-BJESRGMDSA-N 2 2 393.531 3.861 20 0 GHADLP CCOC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccnc1 ZINC001255129490 1040822955 /nfs/dbraw/zinc/82/29/55/1040822955.db2.gz ZSBDGWFRICVJIN-BJESRGMDSA-N 2 2 393.531 3.861 20 0 GHADLP COC(=O)CC[N@H+](Cc1ccco1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255144706 1040856328 /nfs/dbraw/zinc/85/63/28/1040856328.db2.gz VSGACVUNRUHNAV-AERCQKQUSA-N 2 2 382.504 3.840 20 0 GHADLP COC(=O)CC[N@@H+](Cc1ccco1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255144706 1040856353 /nfs/dbraw/zinc/85/63/53/1040856353.db2.gz VSGACVUNRUHNAV-AERCQKQUSA-N 2 2 382.504 3.840 20 0 GHADLP COC(=O)CC[NH+](Cc1ccco1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255144706 1040856372 /nfs/dbraw/zinc/85/63/72/1040856372.db2.gz VSGACVUNRUHNAV-AERCQKQUSA-N 2 2 382.504 3.840 20 0 GHADLP COC(=O)CC[NH+](Cc1ccco1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255144706 1040856379 /nfs/dbraw/zinc/85/63/79/1040856379.db2.gz VSGACVUNRUHNAV-AERCQKQUSA-N 2 2 382.504 3.840 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235369372 1040868848 /nfs/dbraw/zinc/86/88/48/1040868848.db2.gz MGAYELBKDMWCJC-UKILVPOCSA-N 3 2 386.543 3.934 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235369372 1040868854 /nfs/dbraw/zinc/86/88/54/1040868854.db2.gz MGAYELBKDMWCJC-UKILVPOCSA-N 3 2 386.543 3.934 20 0 GHADLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001235384615 1040904092 /nfs/dbraw/zinc/90/40/92/1040904092.db2.gz BVFQBORBTJMZEC-UHFFFAOYSA-N 2 2 385.552 3.996 20 0 GHADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001235384615 1040904100 /nfs/dbraw/zinc/90/41/00/1040904100.db2.gz BVFQBORBTJMZEC-UHFFFAOYSA-N 2 2 385.552 3.996 20 0 GHADLP COc1cc(-c2ccc[nH]2)[nH]c1C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235388692 1040906123 /nfs/dbraw/zinc/90/61/23/1040906123.db2.gz YWWTVEISTOKOMB-YADARESESA-N 2 2 390.531 3.772 20 0 GHADLP COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235388692 1040906131 /nfs/dbraw/zinc/90/61/31/1040906131.db2.gz YWWTVEISTOKOMB-YADARESESA-N 2 2 390.531 3.772 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c(OCc2ccccc2)c1 ZINC001235400844 1040914526 /nfs/dbraw/zinc/91/45/26/1040914526.db2.gz FKXQNWKMALHVJB-XZOQPEGZSA-N 2 2 384.495 3.798 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c(OCc2ccccc2)c1 ZINC001235400844 1040914528 /nfs/dbraw/zinc/91/45/28/1040914528.db2.gz FKXQNWKMALHVJB-XZOQPEGZSA-N 2 2 384.495 3.798 20 0 GHADLP Cc1ccc(Br)c(C[N@@H+]2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)c1Cl ZINC001235409056 1040919935 /nfs/dbraw/zinc/91/99/35/1040919935.db2.gz VTBNCSGPKGKEDR-AAEUAGOBSA-N 2 2 375.713 3.920 20 0 GHADLP Cc1ccc(Br)c(C[N@H+]2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)c1Cl ZINC001235409056 1040919936 /nfs/dbraw/zinc/91/99/36/1040919936.db2.gz VTBNCSGPKGKEDR-AAEUAGOBSA-N 2 2 375.713 3.920 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001255380382 1040971572 /nfs/dbraw/zinc/97/15/72/1040971572.db2.gz RMMWWHRZPMQSIO-XLIONFOSSA-N 2 2 376.516 3.844 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001255380382 1040971576 /nfs/dbraw/zinc/97/15/76/1040971576.db2.gz RMMWWHRZPMQSIO-XLIONFOSSA-N 2 2 376.516 3.844 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]Cc3ccnc(OCC4CCC4)n3)CC2)cc1 ZINC001255392576 1040980781 /nfs/dbraw/zinc/98/07/81/1040980781.db2.gz JIFVRNIGGBNMTP-NRFANRHFSA-N 2 2 380.536 3.800 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]Cc3ccnc(OCC4CCC4)n3)CC2)cc1 ZINC001255392576 1040980786 /nfs/dbraw/zinc/98/07/86/1040980786.db2.gz JIFVRNIGGBNMTP-NRFANRHFSA-N 2 2 380.536 3.800 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@H](c3nnc(C4CCN(c5cccc[nH+]5)CC4)o3)C2)cc1 ZINC001255414329 1041008645 /nfs/dbraw/zinc/00/86/45/1041008645.db2.gz LKBRBOHDPYDJHA-HXUWFJFHSA-N 2 2 389.503 3.838 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@H](c3nnc(C4CCN(c5cccc[nH+]5)CC4)o3)C2)cc1 ZINC001255414329 1041008660 /nfs/dbraw/zinc/00/86/60/1041008660.db2.gz LKBRBOHDPYDJHA-HXUWFJFHSA-N 2 2 389.503 3.838 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCO1 ZINC001255528140 1041112534 /nfs/dbraw/zinc/11/25/34/1041112534.db2.gz HKKPNDRXABKFLN-DHIUTWEWSA-N 2 2 382.548 3.597 20 0 GHADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC001255579996 1041142195 /nfs/dbraw/zinc/14/21/95/1041142195.db2.gz FZUMUEQQIVPDCP-QFIPXVFZSA-N 2 2 380.536 3.917 20 0 GHADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC001255579996 1041142205 /nfs/dbraw/zinc/14/22/05/1041142205.db2.gz FZUMUEQQIVPDCP-QFIPXVFZSA-N 2 2 380.536 3.917 20 0 GHADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001255592271 1041151191 /nfs/dbraw/zinc/15/11/91/1041151191.db2.gz FRLXZRPRIIZDJS-FQEVSTJZSA-N 2 2 391.531 3.698 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[NH+]1CCN(Cc2ccc(C)cc2)CC1 ZINC001235691007 1041163193 /nfs/dbraw/zinc/16/31/93/1041163193.db2.gz IRYMLMNVVPVAKB-UHFFFAOYSA-N 2 2 384.593 3.545 20 0 GHADLP Cc1ccc(SC[C@H](C)[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001255761718 1041275734 /nfs/dbraw/zinc/27/57/34/1041275734.db2.gz CJWILIXMSSKQFW-CEWLAPEOSA-N 2 2 384.593 3.663 20 0 GHADLP Cc1ccc(SC[C@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001255761718 1041275754 /nfs/dbraw/zinc/27/57/54/1041275754.db2.gz CJWILIXMSSKQFW-CEWLAPEOSA-N 2 2 384.593 3.663 20 0 GHADLP Cc1ccc(SC[C@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001255761718 1041275767 /nfs/dbraw/zinc/27/57/67/1041275767.db2.gz CJWILIXMSSKQFW-CEWLAPEOSA-N 2 2 384.593 3.663 20 0 GHADLP Cc1ccc(SC[C@H](C)[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001255761718 1041275782 /nfs/dbraw/zinc/27/57/82/1041275782.db2.gz CJWILIXMSSKQFW-CEWLAPEOSA-N 2 2 384.593 3.663 20 0 GHADLP Cc1ccc(OCc2ccccc2)c(CN2CC[NH+](C3(C)CC[NH2+]CC3)CC2)c1 ZINC001235822840 1041340475 /nfs/dbraw/zinc/34/04/75/1041340475.db2.gz UPTJYWUXTKRNPL-UHFFFAOYSA-N 2 2 393.575 3.834 20 0 GHADLP Cc1cc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cnc1Br ZINC001235826020 1041344859 /nfs/dbraw/zinc/34/48/59/1041344859.db2.gz CEQDBJVPKOYRSW-CALCHBBNSA-N 2 2 390.325 3.699 20 0 GHADLP Cc1cc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cnc1Br ZINC001235826020 1041344872 /nfs/dbraw/zinc/34/48/72/1041344872.db2.gz CEQDBJVPKOYRSW-CALCHBBNSA-N 2 2 390.325 3.699 20 0 GHADLP Cc1cc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cnc1Br ZINC001235826020 1041344888 /nfs/dbraw/zinc/34/48/88/1041344888.db2.gz CEQDBJVPKOYRSW-CALCHBBNSA-N 2 2 390.325 3.699 20 0 GHADLP Cc1cc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cnc1Br ZINC001235826020 1041344908 /nfs/dbraw/zinc/34/49/08/1041344908.db2.gz CEQDBJVPKOYRSW-CALCHBBNSA-N 2 2 390.325 3.699 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC001255952052 1041434132 /nfs/dbraw/zinc/43/41/32/1041434132.db2.gz SKGUEVYIZBNQHL-GCJKJVERSA-N 2 2 388.577 3.890 20 0 GHADLP FC(F)(F)c1cccc(Cn2cncc2C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001256071699 1041507701 /nfs/dbraw/zinc/50/77/01/1041507701.db2.gz LJHVOVNSDNZLHK-UHFFFAOYSA-N 2 2 378.442 3.667 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+]([C@@H]4CCC[C@H](c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001256114885 1041541282 /nfs/dbraw/zinc/54/12/82/1041541282.db2.gz FMOHAHXCUNGKHE-OLKYXYMISA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4CCC[C@H](c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001256114885 1041541302 /nfs/dbraw/zinc/54/13/02/1041541302.db2.gz FMOHAHXCUNGKHE-OLKYXYMISA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4CCC[C@H](c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001256114885 1041541325 /nfs/dbraw/zinc/54/13/25/1041541325.db2.gz FMOHAHXCUNGKHE-OLKYXYMISA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4CCC[C@H](c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001256114885 1041541365 /nfs/dbraw/zinc/54/13/65/1041541365.db2.gz FMOHAHXCUNGKHE-OLKYXYMISA-N 2 2 378.564 3.900 20 0 GHADLP COc1ccc(C[N@H+](Cc2c(C)nc3cc(C)ccn32)C2CC[NH2+]CC2)cc1 ZINC001236442276 1041714074 /nfs/dbraw/zinc/71/40/74/1041714074.db2.gz MCKVULRHXYJYNL-UHFFFAOYSA-N 2 2 378.520 3.714 20 0 GHADLP COc1ccc(C[N@@H+](Cc2c(C)nc3cc(C)ccn32)C2CC[NH2+]CC2)cc1 ZINC001236442276 1041714080 /nfs/dbraw/zinc/71/40/80/1041714080.db2.gz MCKVULRHXYJYNL-UHFFFAOYSA-N 2 2 378.520 3.714 20 0 GHADLP Cn1c(=O)cc(C[N@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)c2ccccc21 ZINC001236449372 1041717685 /nfs/dbraw/zinc/71/76/85/1041717685.db2.gz IVZZEQBGOAEJSG-UHFFFAOYSA-N 2 2 395.934 3.946 20 0 GHADLP Cn1c(=O)cc(C[N@@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)c2ccccc21 ZINC001236449372 1041717692 /nfs/dbraw/zinc/71/76/92/1041717692.db2.gz IVZZEQBGOAEJSG-UHFFFAOYSA-N 2 2 395.934 3.946 20 0 GHADLP COC(=O)c1ccc(Br)c(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236459487 1041722690 /nfs/dbraw/zinc/72/26/90/1041722690.db2.gz QTHZVCFLQZJOOH-UHFFFAOYSA-N 2 2 397.357 3.836 20 0 GHADLP COC(=O)c1ccc(Br)c(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236459487 1041722693 /nfs/dbraw/zinc/72/26/93/1041722693.db2.gz QTHZVCFLQZJOOH-UHFFFAOYSA-N 2 2 397.357 3.836 20 0 GHADLP C[C@@H](Cc1ccccn1)[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001256413594 1041723839 /nfs/dbraw/zinc/72/38/39/1041723839.db2.gz AZADLPRUMVPKQX-SFHVURJKSA-N 2 2 376.504 3.691 20 0 GHADLP C[C@@H](Cc1ccccn1)[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001256413594 1041723843 /nfs/dbraw/zinc/72/38/43/1041723843.db2.gz AZADLPRUMVPKQX-SFHVURJKSA-N 2 2 376.504 3.691 20 0 GHADLP C[C@@H](Cc1ccccn1)[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001256413594 1041723846 /nfs/dbraw/zinc/72/38/46/1041723846.db2.gz AZADLPRUMVPKQX-SFHVURJKSA-N 2 2 376.504 3.691 20 0 GHADLP C[C@@H](Cc1ccccn1)[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001256413594 1041723850 /nfs/dbraw/zinc/72/38/50/1041723850.db2.gz AZADLPRUMVPKQX-SFHVURJKSA-N 2 2 376.504 3.691 20 0 GHADLP COC(=O)Cc1ccc(C[N@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)cc1 ZINC001236490456 1041737758 /nfs/dbraw/zinc/73/77/58/1041737758.db2.gz NDGZHSLEOHEZRV-UHFFFAOYSA-N 2 2 384.495 3.604 20 0 GHADLP COC(=O)Cc1ccc(C[N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)cc1 ZINC001236490456 1041737762 /nfs/dbraw/zinc/73/77/62/1041737762.db2.gz NDGZHSLEOHEZRV-UHFFFAOYSA-N 2 2 384.495 3.604 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001236604018 1041776170 /nfs/dbraw/zinc/77/61/70/1041776170.db2.gz GPTOSXYJKDHKQT-WQVCFCJDSA-N 2 2 378.385 3.570 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001236604018 1041776172 /nfs/dbraw/zinc/77/61/72/1041776172.db2.gz GPTOSXYJKDHKQT-WQVCFCJDSA-N 2 2 378.385 3.570 20 0 GHADLP Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001236633344 1041795011 /nfs/dbraw/zinc/79/50/11/1041795011.db2.gz SHIFIZBLOMVILF-UHFFFAOYSA-N 2 2 391.968 3.972 20 0 GHADLP Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001236633344 1041795020 /nfs/dbraw/zinc/79/50/20/1041795020.db2.gz SHIFIZBLOMVILF-UHFFFAOYSA-N 2 2 391.968 3.972 20 0 GHADLP CC1(C(=O)N2CCCC2)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236917370 1041957029 /nfs/dbraw/zinc/95/70/29/1041957029.db2.gz SVMYJHVEVMTVSC-UHFFFAOYSA-N 2 2 386.927 3.750 20 0 GHADLP COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236917284 1041957096 /nfs/dbraw/zinc/95/70/96/1041957096.db2.gz JOEULDBYPFEOAK-UXHICEINSA-N 2 2 375.900 3.543 20 0 GHADLP COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236917284 1041957098 /nfs/dbraw/zinc/95/70/98/1041957098.db2.gz JOEULDBYPFEOAK-UXHICEINSA-N 2 2 375.900 3.543 20 0 GHADLP Fc1ccc(-c2cncc(C[N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c2)cc1 ZINC001236999495 1041984997 /nfs/dbraw/zinc/98/49/97/1041984997.db2.gz HNHARBRUZMUXIG-ZRZAMGCNSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(-c2cncc(C[N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c2)cc1 ZINC001236999495 1041984998 /nfs/dbraw/zinc/98/49/98/1041984998.db2.gz HNHARBRUZMUXIG-ZRZAMGCNSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(-c2cncc(C[NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)c2)cc1 ZINC001236999495 1041985000 /nfs/dbraw/zinc/98/50/00/1041985000.db2.gz HNHARBRUZMUXIG-ZRZAMGCNSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(-c2cncc(C[NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)c2)cc1 ZINC001236999495 1041985004 /nfs/dbraw/zinc/98/50/04/1041985004.db2.gz HNHARBRUZMUXIG-ZRZAMGCNSA-N 2 2 388.490 3.847 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(OC(C)(C)C)c3)CC2)C1 ZINC001237104094 1042038362 /nfs/dbraw/zinc/03/83/62/1042038362.db2.gz DWSAYWSPOGNQRL-IBGZPJMESA-N 2 2 388.552 3.713 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(OC(C)(C)C)c3)CC2)C1 ZINC001237104094 1042038370 /nfs/dbraw/zinc/03/83/70/1042038370.db2.gz DWSAYWSPOGNQRL-IBGZPJMESA-N 2 2 388.552 3.713 20 0 GHADLP FC(F)(F)c1ccccc1-c1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CCO3)cc1 ZINC001237143413 1042062671 /nfs/dbraw/zinc/06/26/71/1042062671.db2.gz RCQRKKWVZPLHHN-HXUWFJFHSA-N 2 2 376.422 3.937 20 0 GHADLP FC(F)(F)c1ccccc1-c1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CCO3)cc1 ZINC001237143413 1042062674 /nfs/dbraw/zinc/06/26/74/1042062674.db2.gz RCQRKKWVZPLHHN-HXUWFJFHSA-N 2 2 376.422 3.937 20 0 GHADLP C[NH+]1CCC2(C[NH+](Cc3ccc(OC(F)(F)F)c(Br)c3)C2)CC1 ZINC001237164520 1042073336 /nfs/dbraw/zinc/07/33/36/1042073336.db2.gz MGZMMVVTGDFRGL-UHFFFAOYSA-N 2 2 393.247 3.875 20 0 GHADLP CCOC(=O)[C@H]1C[N@H+](Cc2c(Cl)ccc(Cl)c2Cl)CCC12C[NH2+]C2 ZINC001237432955 1042206448 /nfs/dbraw/zinc/20/64/48/1042206448.db2.gz YIZQRTQYPHSZCA-GFCCVEGCSA-N 2 2 391.726 3.621 20 0 GHADLP CCOC(=O)[C@H]1C[N@@H+](Cc2c(Cl)ccc(Cl)c2Cl)CCC12C[NH2+]C2 ZINC001237432955 1042206451 /nfs/dbraw/zinc/20/64/51/1042206451.db2.gz YIZQRTQYPHSZCA-GFCCVEGCSA-N 2 2 391.726 3.621 20 0 GHADLP CCOC(=O)Cc1ccc(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC001237474595 1042224720 /nfs/dbraw/zinc/22/47/20/1042224720.db2.gz BPSNIWNEENISGR-UHFFFAOYSA-N 2 2 380.532 3.889 20 0 GHADLP CCOC(=O)Cc1ccc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC001237474595 1042224726 /nfs/dbraw/zinc/22/47/26/1042224726.db2.gz BPSNIWNEENISGR-UHFFFAOYSA-N 2 2 380.532 3.889 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Br)nc(Br)c2)CC1 ZINC001237513975 1042245259 /nfs/dbraw/zinc/24/52/59/1042245259.db2.gz GMJQNDVMOPPCDN-UHFFFAOYSA-N 2 2 391.151 3.523 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Br)nc(Br)c2)CC1 ZINC001237513975 1042245263 /nfs/dbraw/zinc/24/52/63/1042245263.db2.gz GMJQNDVMOPPCDN-UHFFFAOYSA-N 2 2 391.151 3.523 20 0 GHADLP COc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1Br ZINC001237870122 1042402662 /nfs/dbraw/zinc/40/26/62/1042402662.db2.gz YDCCBWOLXQHQOJ-OAHLLOKOSA-N 2 2 377.282 3.814 20 0 GHADLP COc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1Br ZINC001237870122 1042402664 /nfs/dbraw/zinc/40/26/64/1042402664.db2.gz YDCCBWOLXQHQOJ-OAHLLOKOSA-N 2 2 377.282 3.814 20 0 GHADLP c1ccc(C2CCOCC2)c(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001237895018 1042413382 /nfs/dbraw/zinc/41/33/82/1042413382.db2.gz JMTXPJOGLYCKLI-DHIUTWEWSA-N 2 2 377.532 3.539 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2cncc(Cl)c2Cl)CC3)n1 ZINC001238008710 1042456786 /nfs/dbraw/zinc/45/67/86/1042456786.db2.gz RKZJZEGAPHWNCP-UHFFFAOYSA-N 2 2 394.350 3.753 20 0 GHADLP CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@@H+](Cc4cccc5c[nH+]cn54)C[C@H]3O2)n1 ZINC001238106739 1042493571 /nfs/dbraw/zinc/49/35/71/1042493571.db2.gz NDSPFSWSDKUPLL-ORYQWCPZSA-N 2 2 377.492 3.600 20 0 GHADLP CCOc1ccc(C)c(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)c1 ZINC001238707480 1042694338 /nfs/dbraw/zinc/69/43/38/1042694338.db2.gz MFPCSPPUFCGALK-UHFFFAOYSA-N 2 2 382.552 3.758 20 0 GHADLP CCOc1ccc(C)c(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)c1 ZINC001238707480 1042694341 /nfs/dbraw/zinc/69/43/41/1042694341.db2.gz MFPCSPPUFCGALK-UHFFFAOYSA-N 2 2 382.552 3.758 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542712 1043496205 /nfs/dbraw/zinc/49/62/05/1043496205.db2.gz QHCPGLJWJABAJZ-QESAQDPVSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256542712 1043496220 /nfs/dbraw/zinc/49/62/20/1043496220.db2.gz QHCPGLJWJABAJZ-QESAQDPVSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256542712 1043496221 /nfs/dbraw/zinc/49/62/21/1043496221.db2.gz QHCPGLJWJABAJZ-QESAQDPVSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@H]1C[C@@H]([N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256542712 1043496225 /nfs/dbraw/zinc/49/62/25/1043496225.db2.gz QHCPGLJWJABAJZ-QESAQDPVSA-N 2 2 399.579 3.981 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256556146 1043525987 /nfs/dbraw/zinc/52/59/87/1043525987.db2.gz XGQHDQOPRPBTGF-MBSDFSHPSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256556146 1043525989 /nfs/dbraw/zinc/52/59/89/1043525989.db2.gz XGQHDQOPRPBTGF-MBSDFSHPSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)C[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256556146 1043525993 /nfs/dbraw/zinc/52/59/93/1043525993.db2.gz XGQHDQOPRPBTGF-MBSDFSHPSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)C[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256556146 1043526003 /nfs/dbraw/zinc/52/60/03/1043526003.db2.gz XGQHDQOPRPBTGF-MBSDFSHPSA-N 2 2 378.516 3.884 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256556941 1043527925 /nfs/dbraw/zinc/52/79/25/1043527925.db2.gz JHPSJYXDMAMDGD-ILWGZMRPSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256556941 1043527931 /nfs/dbraw/zinc/52/79/31/1043527931.db2.gz JHPSJYXDMAMDGD-ILWGZMRPSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256556941 1043527940 /nfs/dbraw/zinc/52/79/40/1043527940.db2.gz JHPSJYXDMAMDGD-ILWGZMRPSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256556941 1043527950 /nfs/dbraw/zinc/52/79/50/1043527950.db2.gz JHPSJYXDMAMDGD-ILWGZMRPSA-N 2 2 380.536 3.681 20 0 GHADLP COc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC001256558397 1043529742 /nfs/dbraw/zinc/52/97/42/1043529742.db2.gz RRQUAWYXHQXDHQ-AUSIDOKSSA-N 3 2 394.563 3.702 20 0 GHADLP COc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC001256558397 1043529748 /nfs/dbraw/zinc/52/97/48/1043529748.db2.gz RRQUAWYXHQXDHQ-AUSIDOKSSA-N 3 2 394.563 3.702 20 0 GHADLP COCCC1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCC(F)(F)CC1 ZINC001256584609 1043554081 /nfs/dbraw/zinc/55/40/81/1043554081.db2.gz RWHVTUSECXDWEE-UHFFFAOYSA-N 2 2 381.511 3.868 20 0 GHADLP COC(=O)CC1CCC([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001256990409 1043789154 /nfs/dbraw/zinc/78/91/54/1043789154.db2.gz FPFZHXXMMLCFOY-UHFFFAOYSA-N 2 2 376.516 3.844 20 0 GHADLP COC(=O)CC1CCC([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001256990409 1043789164 /nfs/dbraw/zinc/78/91/64/1043789164.db2.gz FPFZHXXMMLCFOY-UHFFFAOYSA-N 2 2 376.516 3.844 20 0 GHADLP CC(C)[C@H]1C[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257207046 1043936953 /nfs/dbraw/zinc/93/69/53/1043936953.db2.gz YBPQDRFEZUBZTR-RTBURBONSA-N 2 2 376.545 3.944 20 0 GHADLP CCC[C@H](CC)n1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001257254862 1043946814 /nfs/dbraw/zinc/94/68/14/1043946814.db2.gz VTJJQBYYOMNJDJ-LPHOPBHVSA-N 2 2 396.491 3.558 20 0 GHADLP Cc1[nH+]cn([C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1CSCC[NH3+] ZINC001257576383 1044060998 /nfs/dbraw/zinc/06/09/98/1044060998.db2.gz QNTPWITVDYBZCT-MIFYACCESA-N 2 2 382.574 3.732 20 0 GHADLP C[C@@H]1C[C@@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257591043 1044072542 /nfs/dbraw/zinc/07/25/42/1044072542.db2.gz AZMHBZZDNBASMC-IZZQQSIFSA-N 2 2 388.556 3.817 20 0 GHADLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Br)o1)CC2 ZINC001279029526 1044089137 /nfs/dbraw/zinc/08/91/37/1044089137.db2.gz DESAIAIPYCNLGD-UHFFFAOYSA-N 2 2 396.354 3.905 20 0 GHADLP C[NH+]1CCC([N@H+](C2CCN(C(=O)OC(C)(C)C)CC2)[C@@H]2CCCSC2)CC1 ZINC001257683398 1044114476 /nfs/dbraw/zinc/11/44/76/1044114476.db2.gz JUKPADAHULITHK-LJQANCHMSA-N 2 2 397.629 3.678 20 0 GHADLP C[NH+]1CCC([N@@H+](C2CCN(C(=O)OC(C)(C)C)CC2)[C@@H]2CCCSC2)CC1 ZINC001257683398 1044114482 /nfs/dbraw/zinc/11/44/82/1044114482.db2.gz JUKPADAHULITHK-LJQANCHMSA-N 2 2 397.629 3.678 20 0 GHADLP Cc1cc(N2CC[NH+](C3CCC(OCc4ccccc4)CC3)CC2)nc(C)[nH+]1 ZINC001257833185 1044209543 /nfs/dbraw/zinc/20/95/43/1044209543.db2.gz OAQZVKDIWWCUIJ-UHFFFAOYSA-N 2 2 380.536 3.743 20 0 GHADLP CCC(CC)(CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)[NH2+][C@H](C)c1ccccc1 ZINC001293488230 1044209772 /nfs/dbraw/zinc/20/97/72/1044209772.db2.gz NQXYFUFABCTWPM-UTKZUKDTSA-N 2 2 397.567 3.816 20 0 GHADLP CCC(CC)(CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)[NH2+][C@H](C)c1ccccc1 ZINC001293488230 1044209781 /nfs/dbraw/zinc/20/97/81/1044209781.db2.gz NQXYFUFABCTWPM-UTKZUKDTSA-N 2 2 397.567 3.816 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1csc(NC2(C)CCCC2)n1 ZINC001293591200 1044256282 /nfs/dbraw/zinc/25/62/82/1044256282.db2.gz PJTCNFDCISQECS-UHFFFAOYSA-N 2 2 396.520 3.958 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1COc2ccc(Cl)cc2C1 ZINC001257960035 1044278080 /nfs/dbraw/zinc/27/80/80/1044278080.db2.gz PUPGCJWOQDFMAZ-RZUBCFFCSA-N 2 2 386.923 3.523 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1COc2ccc(Cl)cc2C1 ZINC001257960035 1044278085 /nfs/dbraw/zinc/27/80/85/1044278085.db2.gz PUPGCJWOQDFMAZ-RZUBCFFCSA-N 2 2 386.923 3.523 20 0 GHADLP [NH3+]C1(C(=O)NCc2ccccc2)CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC001257995329 1044322686 /nfs/dbraw/zinc/32/26/86/1044322686.db2.gz PHQFJTKIHBBQNJ-UHFFFAOYSA-N 2 2 391.559 3.823 20 0 GHADLP CSc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]CCn4cc[nH+]c4)(C2)CCC3)s1 ZINC001279077472 1044419459 /nfs/dbraw/zinc/41/94/59/1044419459.db2.gz RKOMFPCRXBKTDU-MOPGFXCFSA-N 3 2 376.595 3.891 20 0 GHADLP OC1(c2ccc(F)cc2)CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258146047 1044433408 /nfs/dbraw/zinc/43/34/08/1044433408.db2.gz PWXLNMNZMJBFKU-UHFFFAOYSA-N 2 2 382.523 3.816 20 0 GHADLP C[C@H](Cc1ccco1)[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001258191488 1044464555 /nfs/dbraw/zinc/46/45/55/1044464555.db2.gz GLCJBGCDDUSWKL-XLIONFOSSA-N 2 2 375.463 3.839 20 0 GHADLP C[C@H](Cc1ccco1)[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001258191488 1044464562 /nfs/dbraw/zinc/46/45/62/1044464562.db2.gz GLCJBGCDDUSWKL-XLIONFOSSA-N 2 2 375.463 3.839 20 0 GHADLP C[C@H](Cc1ccco1)[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001258191488 1044464567 /nfs/dbraw/zinc/46/45/67/1044464567.db2.gz GLCJBGCDDUSWKL-XLIONFOSSA-N 2 2 375.463 3.839 20 0 GHADLP C[C@H](Cc1ccco1)[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001258191488 1044464572 /nfs/dbraw/zinc/46/45/72/1044464572.db2.gz GLCJBGCDDUSWKL-XLIONFOSSA-N 2 2 375.463 3.839 20 0 GHADLP CSC(C)(C)C[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001258345567 1044520109 /nfs/dbraw/zinc/52/01/09/1044520109.db2.gz ARQRUWDDTHCPKK-SJORKVTESA-N 2 2 399.645 3.970 20 0 GHADLP CSC(C)(C)C[C@@H](C)[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001258345567 1044520115 /nfs/dbraw/zinc/52/01/15/1044520115.db2.gz ARQRUWDDTHCPKK-SJORKVTESA-N 2 2 399.645 3.970 20 0 GHADLP CCOC(=O)CC[C@H](C)[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001258501428 1044583402 /nfs/dbraw/zinc/58/34/02/1044583402.db2.gz UAZBMXSHULPSMU-HNNXBMFYSA-N 2 2 386.458 3.991 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](C1CCN(c3ccccc3)CC1)CC2 ZINC001258513212 1044588593 /nfs/dbraw/zinc/58/85/93/1044588593.db2.gz PEORTCKXALULAS-UHFFFAOYSA-N 2 2 381.568 3.553 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](C1CCN(c3ccccc3)CC1)CC2 ZINC001258513212 1044588610 /nfs/dbraw/zinc/58/86/10/1044588610.db2.gz PEORTCKXALULAS-UHFFFAOYSA-N 2 2 381.568 3.553 20 0 GHADLP C[C@H](Cc1cccnc1)[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001258627712 1044676525 /nfs/dbraw/zinc/67/65/25/1044676525.db2.gz TWWZCUTVELMFKK-GOSISDBHSA-N 2 2 376.504 3.691 20 0 GHADLP C[C@H](Cc1cccnc1)[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001258627712 1044676530 /nfs/dbraw/zinc/67/65/30/1044676530.db2.gz TWWZCUTVELMFKK-GOSISDBHSA-N 2 2 376.504 3.691 20 0 GHADLP C[C@H](Cc1cccnc1)[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001258627712 1044676535 /nfs/dbraw/zinc/67/65/35/1044676535.db2.gz TWWZCUTVELMFKK-GOSISDBHSA-N 2 2 376.504 3.691 20 0 GHADLP C[C@H](Cc1cccnc1)[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001258627712 1044676539 /nfs/dbraw/zinc/67/65/39/1044676539.db2.gz TWWZCUTVELMFKK-GOSISDBHSA-N 2 2 376.504 3.691 20 0 GHADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001294538873 1044689236 /nfs/dbraw/zinc/68/92/36/1044689236.db2.gz OJLJCECTGVOQMK-UHFFFAOYSA-N 2 2 398.532 3.624 20 0 GHADLP COc1cc(C[C@@H](C)n2c[nH+]cc2-c2cccc(C[NH3+])c2)cc(OC)c1OC ZINC001258864972 1044805941 /nfs/dbraw/zinc/80/59/41/1044805941.db2.gz JFFPTKYYNPWWPK-OAHLLOKOSA-N 2 2 381.476 3.838 20 0 GHADLP COc1cc(C[C@H](C)[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc(OC)c1OC ZINC001258867798 1044808744 /nfs/dbraw/zinc/80/87/44/1044808744.db2.gz RMHYLLLEUXKXEF-INIZCTEOSA-N 2 2 386.492 3.582 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@H](C)Cc3ccccc3OC)CC2)cc1 ZINC001258882766 1044833389 /nfs/dbraw/zinc/83/33/89/1044833389.db2.gz BWIQMYWKTUAIEV-GOSISDBHSA-N 2 2 396.531 3.667 20 0 GHADLP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001297114292 1045455363 /nfs/dbraw/zinc/45/53/63/1045455363.db2.gz FBVBDAPVDRQVJZ-YADHBBJMSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001297114292 1045455366 /nfs/dbraw/zinc/45/53/66/1045455366.db2.gz FBVBDAPVDRQVJZ-YADHBBJMSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001297114292 1045455369 /nfs/dbraw/zinc/45/53/69/1045455369.db2.gz FBVBDAPVDRQVJZ-YADHBBJMSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001297114292 1045455371 /nfs/dbraw/zinc/45/53/71/1045455371.db2.gz FBVBDAPVDRQVJZ-YADHBBJMSA-N 2 2 387.543 3.703 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000371281729 1046234500 /nfs/dbraw/zinc/23/45/00/1046234500.db2.gz DEOPSOJPSPUCFA-UONOGXRCSA-N 2 2 396.413 3.666 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001303313130 1047357082 /nfs/dbraw/zinc/35/70/82/1047357082.db2.gz LFRYZXPALVTBJB-BMQTXXJKSA-N 2 2 375.532 3.682 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001303313130 1047357092 /nfs/dbraw/zinc/35/70/92/1047357092.db2.gz LFRYZXPALVTBJB-BMQTXXJKSA-N 2 2 375.532 3.682 20 0 GHADLP Fc1ccc(C[N@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)cc1Cl ZINC001279227081 1047745201 /nfs/dbraw/zinc/74/52/01/1047745201.db2.gz JXWKDYFDTFHPMU-HDICACEKSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)cc1Cl ZINC001279227081 1047745203 /nfs/dbraw/zinc/74/52/03/1047745203.db2.gz JXWKDYFDTFHPMU-HDICACEKSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)cc1Cl ZINC001279227081 1047745208 /nfs/dbraw/zinc/74/52/08/1047745208.db2.gz JXWKDYFDTFHPMU-HDICACEKSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)cc1Cl ZINC001279227081 1047745212 /nfs/dbraw/zinc/74/52/12/1047745212.db2.gz JXWKDYFDTFHPMU-HDICACEKSA-N 3 2 376.907 3.520 20 0 GHADLP Cc1cc(C[NH+]2CC3(C2)CC[NH+](Cc2ccc(Cl)c(F)c2)CC3)n(C)n1 ZINC001279396971 1047792683 /nfs/dbraw/zinc/79/26/83/1047792683.db2.gz JWIRUWLDRQVENF-UHFFFAOYSA-N 2 2 376.907 3.619 20 0 GHADLP Cc1cnc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c(Br)c1 ZINC001279552860 1047838696 /nfs/dbraw/zinc/83/86/96/1047838696.db2.gz UJLYHRFPBXMQKY-UHFFFAOYSA-N 2 2 389.341 3.579 20 0 GHADLP Fc1c(Cl)cc(Cl)cc1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001279803068 1047954433 /nfs/dbraw/zinc/95/44/33/1047954433.db2.gz BTVGCPLGNXZEOS-UHFFFAOYSA-N 2 2 383.298 3.954 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)c(Cl)n1 ZINC001280185759 1048120682 /nfs/dbraw/zinc/12/06/82/1048120682.db2.gz WFXUMPZJUFALMX-UHFFFAOYSA-N 2 2 378.992 3.708 20 0 GHADLP Cc1cccc(Br)c1C[NH2+][C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001280270603 1048152964 /nfs/dbraw/zinc/15/29/64/1048152964.db2.gz KAACYEFNGQUFRJ-UXHICEINSA-N 2 2 394.401 3.844 20 0 GHADLP Cc1cccn2cc(CC(=O)NCCC3CC[NH+](Cc4ccccc4)CC3)[nH+]c12 ZINC001287391509 1048753383 /nfs/dbraw/zinc/75/33/83/1048753383.db2.gz RBEMAUHWSTUZOS-UHFFFAOYSA-N 2 2 390.531 3.604 20 0 GHADLP Cc1ccc(NC(=O)C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(Br)c1 ZINC001307988131 1049741569 /nfs/dbraw/zinc/74/15/69/1049741569.db2.gz KBILFLLJCFDLPN-UHFFFAOYSA-N 2 2 394.357 3.504 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCOC34CCCC4)CC2)cc1 ZINC001308145386 1049883061 /nfs/dbraw/zinc/88/30/61/1049883061.db2.gz MQJRPTXLHZDXLF-FQEVSTJZSA-N 2 2 377.960 3.543 20 0 GHADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1NCc1cc(-n2cc[nH+]c2)cs1 ZINC001308289054 1049938761 /nfs/dbraw/zinc/93/87/61/1049938761.db2.gz GEOTUVSUXZRPQR-UHFFFAOYSA-N 2 2 397.548 3.696 20 0 GHADLP Brc1cc(C[NH2+]CCCNc2cccc[nH+]2)cc2c1OCCCO2 ZINC001308298574 1049942115 /nfs/dbraw/zinc/94/21/15/1049942115.db2.gz TVHADNJPODJTSL-UHFFFAOYSA-N 2 2 392.297 3.597 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)c2c1OC(F)(F)O2 ZINC001308373332 1049961373 /nfs/dbraw/zinc/96/13/73/1049961373.db2.gz QOVUXCHXNZKZPT-MRXNPFEDSA-N 2 2 394.393 3.822 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001290963848 1049961541 /nfs/dbraw/zinc/96/15/41/1049961541.db2.gz XLQUWXHWYHFZKC-UHFFFAOYSA-N 2 2 392.503 3.774 20 0 GHADLP C[C@H]1C[C@H]([NH2+]C(C)(C)CNC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC001308673008 1050055048 /nfs/dbraw/zinc/05/50/48/1050055048.db2.gz PSCSLASSHZWJTD-HKUYNNGSSA-N 2 2 375.557 3.790 20 0 GHADLP C[C@H]1C[C@H]([NH2+]C(C)(C)CNC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC001308673008 1050055052 /nfs/dbraw/zinc/05/50/52/1050055052.db2.gz PSCSLASSHZWJTD-HKUYNNGSSA-N 2 2 375.557 3.790 20 0 GHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(OC(F)F)ccc2Br)C1 ZINC001308748358 1050080240 /nfs/dbraw/zinc/08/02/40/1050080240.db2.gz SRLJRCSFCQJUAR-BLLLJJGKSA-N 2 2 389.284 3.967 20 0 GHADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(OC(F)F)ccc2Br)C1 ZINC001308748358 1050080247 /nfs/dbraw/zinc/08/02/47/1050080247.db2.gz SRLJRCSFCQJUAR-BLLLJJGKSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(OC(F)F)ccc2Br)C1 ZINC001308748358 1050080254 /nfs/dbraw/zinc/08/02/54/1050080254.db2.gz SRLJRCSFCQJUAR-BLLLJJGKSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(OC(F)F)ccc2Br)C1 ZINC001308748358 1050080261 /nfs/dbraw/zinc/08/02/61/1050080261.db2.gz SRLJRCSFCQJUAR-BLLLJJGKSA-N 2 2 389.284 3.967 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC001311589650 1052267988 /nfs/dbraw/zinc/26/79/88/1052267988.db2.gz XJKCYPXACNSHSK-UHFFFAOYSA-N 2 2 395.551 3.710 20 0 GHADLP CCCCCCN(Cc1ccco1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001312016223 1052530744 /nfs/dbraw/zinc/53/07/44/1052530744.db2.gz XXBRHNPYPDEDMY-IBGZPJMESA-N 2 2 390.572 3.540 20 0 GHADLP CCCCCCN(Cc1ccco1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001312016223 1052530752 /nfs/dbraw/zinc/53/07/52/1052530752.db2.gz XXBRHNPYPDEDMY-IBGZPJMESA-N 2 2 390.572 3.540 20 0 GHADLP C[C@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC001312659217 1052829020 /nfs/dbraw/zinc/82/90/20/1052829020.db2.gz JBXGNRRLYWYWGP-BWAGFHJFSA-N 2 2 391.519 3.615 20 0 GHADLP CCn1c2ccccc2nc1SCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001318480108 1054667087 /nfs/dbraw/zinc/66/70/87/1054667087.db2.gz NDGYULYZQJOUOI-UHFFFAOYSA-N 2 2 392.488 3.676 20 0 GHADLP CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001318552669 1054714053 /nfs/dbraw/zinc/71/40/53/1054714053.db2.gz IVFWKDGMVKMECH-CQSZACIVSA-N 2 2 389.463 3.852 20 0 GHADLP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)sc1-c1cccc(Cl)c1 ZINC001300614055 1056662783 /nfs/dbraw/zinc/66/27/83/1056662783.db2.gz UXXUCEXEOKCFSB-UHFFFAOYSA-N 2 2 393.984 3.990 20 0 GHADLP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)sc1-c1cccc(Cl)c1 ZINC001300614055 1056662789 /nfs/dbraw/zinc/66/27/89/1056662789.db2.gz UXXUCEXEOKCFSB-UHFFFAOYSA-N 2 2 393.984 3.990 20 0 GHADLP C[C@@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001322643819 1056782783 /nfs/dbraw/zinc/78/27/83/1056782783.db2.gz WIINRFSLZVWIDH-HBFSDRIKSA-N 2 2 390.572 3.527 20 0 GHADLP C[C@@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001322643819 1056782794 /nfs/dbraw/zinc/78/27/94/1056782794.db2.gz WIINRFSLZVWIDH-HBFSDRIKSA-N 2 2 390.572 3.527 20 0 GHADLP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC001323422479 1056968014 /nfs/dbraw/zinc/96/80/14/1056968014.db2.gz RPQIGXOCDZIQRV-UXHICEINSA-N 2 2 394.401 3.876 20 0 GHADLP COc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1-c1ccccn1 ZINC001324432136 1057133114 /nfs/dbraw/zinc/13/31/14/1057133114.db2.gz KNCDUCGXLAQMGD-UHFFFAOYSA-N 2 2 385.427 3.899 20 0 GHADLP CC(C)[N@H+](C)CC1CCN(c2nnc([C@H](C)[NH+](C)Cc3ccccc3)n2C)CC1 ZINC001355485525 1057180029 /nfs/dbraw/zinc/18/00/29/1057180029.db2.gz QUAVRIZLLODXRF-IBGZPJMESA-N 2 2 398.599 3.565 20 0 GHADLP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H](C)[NH+](C)Cc3ccccc3)n2C)CC1 ZINC001355485525 1057180031 /nfs/dbraw/zinc/18/00/31/1057180031.db2.gz QUAVRIZLLODXRF-IBGZPJMESA-N 2 2 398.599 3.565 20 0 GHADLP CC(C)[NH+](C)CC1CCN(c2nnc([C@H](C)[N@H+](C)Cc3ccccc3)n2C)CC1 ZINC001355485525 1057180032 /nfs/dbraw/zinc/18/00/32/1057180032.db2.gz QUAVRIZLLODXRF-IBGZPJMESA-N 2 2 398.599 3.565 20 0 GHADLP CC(C)[NH+](C)CC1CCN(c2nnc([C@H](C)[N@@H+](C)Cc3ccccc3)n2C)CC1 ZINC001355485525 1057180035 /nfs/dbraw/zinc/18/00/35/1057180035.db2.gz QUAVRIZLLODXRF-IBGZPJMESA-N 2 2 398.599 3.565 20 0 GHADLP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCN1C(=O)OC(C)(C)C ZINC001324724200 1057212241 /nfs/dbraw/zinc/21/22/41/1057212241.db2.gz LWICFUXYHMXWQK-QYZOEREBSA-N 2 2 390.572 3.710 20 0 GHADLP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCN1C(=O)OC(C)(C)C ZINC001324724200 1057212249 /nfs/dbraw/zinc/21/22/49/1057212249.db2.gz LWICFUXYHMXWQK-QYZOEREBSA-N 2 2 390.572 3.710 20 0 GHADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3cccnc3)ccc21 ZINC001325525092 1057337165 /nfs/dbraw/zinc/33/71/65/1057337165.db2.gz JLQKFGDDKBSVOB-FCHUYYIVSA-N 2 2 378.520 3.624 20 0 GHADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CCCC[N@H+]3Cc3cccnc3)ccc21 ZINC001325525092 1057337172 /nfs/dbraw/zinc/33/71/72/1057337172.db2.gz JLQKFGDDKBSVOB-FCHUYYIVSA-N 2 2 378.520 3.624 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CCN(c3cccc(OC)c3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC001325715723 1057354678 /nfs/dbraw/zinc/35/46/78/1057354678.db2.gz DDOQUOALEZMWMG-RPWUZVMVSA-N 2 2 395.547 3.756 20 0 GHADLP CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001356371035 1057491763 /nfs/dbraw/zinc/49/17/63/1057491763.db2.gz BAJSJQFCVDMGPA-FPOVZHCZSA-N 2 2 396.583 3.556 20 0 GHADLP CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001356371035 1057491771 /nfs/dbraw/zinc/49/17/71/1057491771.db2.gz BAJSJQFCVDMGPA-FPOVZHCZSA-N 2 2 396.583 3.556 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000849090962 1057589630 /nfs/dbraw/zinc/58/96/30/1057589630.db2.gz VFIKVXQSOGEERF-INIZCTEOSA-N 2 2 382.430 3.995 20 0 GHADLP Cc1cccn2cc(CCNC(=[NH2+])NCc3cccc(C(F)(F)F)c3)[nH+]c12 ZINC000849092010 1057590460 /nfs/dbraw/zinc/59/04/60/1057590460.db2.gz XGGIBZMJIINHES-UHFFFAOYSA-N 2 2 375.398 3.518 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC001442477338 1058967673 /nfs/dbraw/zinc/96/76/73/1058967673.db2.gz ZVXONSMNRZAKCG-HXUWFJFHSA-N 2 2 377.960 3.667 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccco1 ZINC001442492964 1058968687 /nfs/dbraw/zinc/96/86/87/1058968687.db2.gz PMCNITOQGHIHDM-PKOBYXMFSA-N 2 2 377.916 3.735 20 0 GHADLP CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001340079894 1059677261 /nfs/dbraw/zinc/67/72/61/1059677261.db2.gz OKLWKKCJUBBLHO-HXUWFJFHSA-N 2 2 399.587 3.585 20 0 GHADLP CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001340079894 1059677273 /nfs/dbraw/zinc/67/72/73/1059677273.db2.gz OKLWKKCJUBBLHO-HXUWFJFHSA-N 2 2 399.587 3.585 20 0 GHADLP [NH3+][C@@H](Cc1ccc2cc[nH]c2c1)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001341571272 1060750745 /nfs/dbraw/zinc/75/07/45/1060750745.db2.gz OHBCHCLJURUHIM-NRFANRHFSA-N 2 2 399.498 3.876 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001455460065 1062164773 /nfs/dbraw/zinc/16/47/73/1062164773.db2.gz XTCRVWRQVYUAEC-OZROYSPXSA-N 2 2 387.543 3.541 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@H+]3C2)CC1 ZINC001455460065 1062164791 /nfs/dbraw/zinc/16/47/91/1062164791.db2.gz XTCRVWRQVYUAEC-OZROYSPXSA-N 2 2 387.543 3.541 20 0 GHADLP CCCC[NH+]1CCC(NC(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CC1 ZINC001347327091 1062299565 /nfs/dbraw/zinc/29/95/65/1062299565.db2.gz LVSKGFYIOIGRRK-SFHVURJKSA-N 2 2 389.588 3.792 20 0 GHADLP Cc1cccc([C@@H]2C[C@H]2C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001435866113 1062969685 /nfs/dbraw/zinc/96/96/85/1062969685.db2.gz RSHRRAFDTLCGLT-UARRHKHWSA-N 2 2 397.607 3.894 20 0 GHADLP Cc1cccc([C@@H]2C[C@H]2C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001435866113 1062969688 /nfs/dbraw/zinc/96/96/88/1062969688.db2.gz RSHRRAFDTLCGLT-UARRHKHWSA-N 2 2 397.607 3.894 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)ccn12 ZINC001348261179 1062970724 /nfs/dbraw/zinc/97/07/24/1062970724.db2.gz YZUMHVUDAFFCEU-GOSISDBHSA-N 2 2 382.533 3.907 20 0 GHADLP Brc1cccc2c(N3CCC([NH2+]C4CCOCC4)CC3)cc[nH+]c12 ZINC001348743290 1063305360 /nfs/dbraw/zinc/30/53/60/1063305360.db2.gz UWSQGUKYVITDEI-UHFFFAOYSA-N 2 2 390.325 3.735 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+]C(c3ccccc3)c3ccccc3)ccn12 ZINC001458035523 1063517487 /nfs/dbraw/zinc/51/74/87/1063517487.db2.gz NSOPWBYTPVOCRY-UHFFFAOYSA-N 2 2 384.483 3.752 20 0 GHADLP CC[NH+](CC)CC[C@H](C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001350144920 1064002923 /nfs/dbraw/zinc/00/29/23/1064002923.db2.gz TYIBPUUXVXNOPW-HOTGVXAUSA-N 2 2 381.590 3.617 20 0 GHADLP CC[NH+](CC)CC[C@H](C)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC001350144920 1064002932 /nfs/dbraw/zinc/00/29/32/1064002932.db2.gz TYIBPUUXVXNOPW-HOTGVXAUSA-N 2 2 381.590 3.617 20 0 GHADLP CC[C@@]1(C)CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)C1 ZINC001459564372 1064129289 /nfs/dbraw/zinc/12/92/89/1064129289.db2.gz OOKVXSJWRVFSEO-DEOSSOPVSA-N 2 2 385.596 3.966 20 0 GHADLP CC[C@@]1(C)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)C1 ZINC001459564372 1064129294 /nfs/dbraw/zinc/12/92/94/1064129294.db2.gz OOKVXSJWRVFSEO-DEOSSOPVSA-N 2 2 385.596 3.966 20 0 GHADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC001460016951 1064348309 /nfs/dbraw/zinc/34/83/09/1064348309.db2.gz NGKMLAZQHZRKTD-HNNXBMFYSA-N 2 2 392.437 3.547 20 0 GHADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC001460016951 1064348320 /nfs/dbraw/zinc/34/83/20/1064348320.db2.gz NGKMLAZQHZRKTD-HNNXBMFYSA-N 2 2 392.437 3.547 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001460046234 1064371645 /nfs/dbraw/zinc/37/16/45/1064371645.db2.gz KPHWTSVJUQSKBQ-XJUOHMSHSA-N 2 2 377.532 3.776 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001460046234 1064371660 /nfs/dbraw/zinc/37/16/60/1064371660.db2.gz KPHWTSVJUQSKBQ-XJUOHMSHSA-N 2 2 377.532 3.776 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001460046234 1064371672 /nfs/dbraw/zinc/37/16/72/1064371672.db2.gz KPHWTSVJUQSKBQ-XJUOHMSHSA-N 2 2 377.532 3.776 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001460046234 1064371687 /nfs/dbraw/zinc/37/16/87/1064371687.db2.gz KPHWTSVJUQSKBQ-XJUOHMSHSA-N 2 2 377.532 3.776 20 0 GHADLP COc1cc2ccc(C(=O)Nc3c[nH+]ccc3-n3cc[nH+]c3C)cc2cc1OC ZINC001465206927 1065460985 /nfs/dbraw/zinc/46/09/85/1065460985.db2.gz YYIXDXGQZXMMGM-UHFFFAOYSA-N 2 2 388.427 3.998 20 0 GHADLP Cc1[nH]c(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)[nH+]c1C ZINC001465749176 1065826441 /nfs/dbraw/zinc/82/64/41/1065826441.db2.gz OFEIHWSLXPIGJT-LEWJYISDSA-N 2 2 380.536 3.581 20 0 GHADLP Cc1[nH]c(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)[nH+]c1C ZINC001465749176 1065826457 /nfs/dbraw/zinc/82/64/57/1065826457.db2.gz OFEIHWSLXPIGJT-LEWJYISDSA-N 2 2 380.536 3.581 20 0 GHADLP CC[N@@H+]1CCN(C(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C[C@H]1C ZINC001466103756 1065984036 /nfs/dbraw/zinc/98/40/36/1065984036.db2.gz PFFZKRREGYCHSI-OFNKIYASSA-N 2 2 397.538 3.580 20 0 GHADLP CC[N@H+]1CCN(C(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C[C@H]1C ZINC001466103756 1065984040 /nfs/dbraw/zinc/98/40/40/1065984040.db2.gz PFFZKRREGYCHSI-OFNKIYASSA-N 2 2 397.538 3.580 20 0 GHADLP CC[NH+]1CCC(C(=O)NCc2ccccc2-n2cc[nH+]c2)(c2ccccc2)CC1 ZINC001466503611 1066174103 /nfs/dbraw/zinc/17/41/03/1066174103.db2.gz VKIJIKHHIITKPM-UHFFFAOYSA-N 2 2 388.515 3.542 20 0 GHADLP CC[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC[N@@H+]1Cc1ccccc1 ZINC001466752531 1066295216 /nfs/dbraw/zinc/29/52/16/1066295216.db2.gz GBPACAREQRGKGP-FQEVSTJZSA-N 2 2 381.520 3.612 20 0 GHADLP CC[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC[N@H+]1Cc1ccccc1 ZINC001466752531 1066295231 /nfs/dbraw/zinc/29/52/31/1066295231.db2.gz GBPACAREQRGKGP-FQEVSTJZSA-N 2 2 381.520 3.612 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001477578624 1078474374 /nfs/dbraw/zinc/47/43/74/1078474374.db2.gz NKRYDZIBUYHEGW-ZSYWTGECSA-N 2 2 392.613 3.503 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001477578624 1078474375 /nfs/dbraw/zinc/47/43/75/1078474375.db2.gz NKRYDZIBUYHEGW-ZSYWTGECSA-N 2 2 392.613 3.503 20 0 GHADLP C[N@H+](CCc1ccccc1)CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001467560816 1067359624 /nfs/dbraw/zinc/35/96/24/1067359624.db2.gz IXPAFAUFODCGMY-UHFFFAOYSA-N 2 2 388.515 3.999 20 0 GHADLP C[N@@H+](CCc1ccccc1)CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001467560816 1067359637 /nfs/dbraw/zinc/35/96/37/1067359637.db2.gz IXPAFAUFODCGMY-UHFFFAOYSA-N 2 2 388.515 3.999 20 0 GHADLP C[C@@H](C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC001468323657 1067685166 /nfs/dbraw/zinc/68/51/66/1067685166.db2.gz CBERZWZPAFCXRN-KURKYZTESA-N 2 2 378.520 3.844 20 0 GHADLP COCCC1CC[NH+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001460491697 1068979329 /nfs/dbraw/zinc/97/93/29/1068979329.db2.gz WABSMHFOIUUZMB-UHFFFAOYSA-N 2 2 379.976 3.601 20 0 GHADLP CCOc1ccc(NC(=O)CC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001460689303 1069087964 /nfs/dbraw/zinc/08/79/64/1069087964.db2.gz HQKNKHLDVGBSTQ-NRFANRHFSA-N 2 2 378.476 3.642 20 0 GHADLP COc1ccc([C@@H](CNC(=O)Cn2c[nH+]c(C(C)(C)C)c2)[NH+]2CCCCC2)cc1 ZINC001473069901 1073768941 /nfs/dbraw/zinc/76/89/41/1073768941.db2.gz KXDXBPMFLVLQIE-HXUWFJFHSA-N 2 2 398.551 3.533 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001473144623 1073805474 /nfs/dbraw/zinc/80/54/74/1073805474.db2.gz XIRDINGYRWCYOT-ZRZAMGCNSA-N 3 2 398.639 3.663 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001473144623 1073805486 /nfs/dbraw/zinc/80/54/86/1073805486.db2.gz XIRDINGYRWCYOT-ZRZAMGCNSA-N 3 2 398.639 3.663 20 0 GHADLP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC001473264325 1073897040 /nfs/dbraw/zinc/89/70/40/1073897040.db2.gz ODJZYIXVWFWHDZ-MSOLQXFVSA-N 2 2 389.927 3.668 20 0 GHADLP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC001473264325 1073897047 /nfs/dbraw/zinc/89/70/47/1073897047.db2.gz ODJZYIXVWFWHDZ-MSOLQXFVSA-N 2 2 389.927 3.668 20 0 GHADLP C[C@@]12C[NH+](CCOCC(F)(F)C(F)F)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001473718400 1074105351 /nfs/dbraw/zinc/10/53/51/1074105351.db2.gz JTPKZRRKLWKSEX-OALUTQOASA-N 2 2 388.449 3.747 20 0 GHADLP Fc1ccc(OC[C@@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001473834228 1074165442 /nfs/dbraw/zinc/16/54/42/1074165442.db2.gz OESIYGGEQVHPRR-QFIPXVFZSA-N 2 2 384.495 3.701 20 0 GHADLP Fc1ccc(OC[C@@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001473834228 1074165447 /nfs/dbraw/zinc/16/54/47/1074165447.db2.gz OESIYGGEQVHPRR-QFIPXVFZSA-N 2 2 384.495 3.701 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2noc3cc(F)ccc23)c2c1OC(F)(F)O2 ZINC001474246056 1074308345 /nfs/dbraw/zinc/30/83/45/1074308345.db2.gz YRDQRMAARFTDGS-UHFFFAOYSA-N 2 2 393.365 3.640 20 0 GHADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000736479807 598620281 /nfs/dbraw/zinc/62/02/81/598620281.db2.gz ICTVHGQVAIKNFJ-UHFFFAOYSA-N 2 2 390.535 3.840 20 0 GHADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000736479807 598620282 /nfs/dbraw/zinc/62/02/82/598620282.db2.gz ICTVHGQVAIKNFJ-UHFFFAOYSA-N 2 2 390.535 3.840 20 0 GHADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000735876245 598760301 /nfs/dbraw/zinc/76/03/01/598760301.db2.gz XPODUZDVDCAKSM-UHFFFAOYSA-N 2 2 390.535 3.838 20 0 GHADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000735876245 598760302 /nfs/dbraw/zinc/76/03/02/598760302.db2.gz XPODUZDVDCAKSM-UHFFFAOYSA-N 2 2 390.535 3.838 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824554406 609338307 /nfs/dbraw/zinc/33/83/07/609338307.db2.gz PPIZWVSKZWAXFI-QYWGDWMGSA-N 2 2 394.498 3.567 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824554406 609338309 /nfs/dbraw/zinc/33/83/09/609338309.db2.gz PPIZWVSKZWAXFI-QYWGDWMGSA-N 2 2 394.498 3.567 20 0 GHADLP COc1ccc2c(cc[nH+]c2N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1 ZINC001164647094 719309033 /nfs/dbraw/zinc/30/90/33/719309033.db2.gz KLJWEQOWAXAGHW-UHFFFAOYSA-N 2 2 379.508 3.645 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cccc(C4CC4)[nH+]3)C2)C1 ZINC001164779841 721374654 /nfs/dbraw/zinc/37/46/54/721374654.db2.gz CQXYVJPVCHNIIB-QHCPKHFHSA-N 2 2 396.535 3.683 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cccc(C4CC4)[nH+]3)C2)C1 ZINC001164779841 721374658 /nfs/dbraw/zinc/37/46/58/721374658.db2.gz CQXYVJPVCHNIIB-QHCPKHFHSA-N 2 2 396.535 3.683 20 0 GHADLP Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]c2ccccc12 ZINC001164983769 722114822 /nfs/dbraw/zinc/11/48/22/722114822.db2.gz ZZODZYJQPVZLLT-OFNKIYASSA-N 2 2 388.515 3.666 20 0 GHADLP Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]c2ccccc12 ZINC001164983769 722114823 /nfs/dbraw/zinc/11/48/23/722114823.db2.gz ZZODZYJQPVZLLT-OFNKIYASSA-N 2 2 388.515 3.666 20 0 GHADLP Clc1cccc([C@@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)[NH+]2CCCC2)c1 ZINC000655688811 837610567 /nfs/dbraw/zinc/61/05/67/837610567.db2.gz JPLJKNYNDUBITE-FGZHOGPDSA-N 2 2 391.987 3.710 20 0 GHADLP Clc1cccc([C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)N2CCCC2)c1 ZINC000655688811 837610573 /nfs/dbraw/zinc/61/05/73/837610573.db2.gz JPLJKNYNDUBITE-FGZHOGPDSA-N 2 2 391.987 3.710 20 0 GHADLP CCN(CC)[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Cl ZINC000655684323 837666422 /nfs/dbraw/zinc/66/64/22/837666422.db2.gz OAAVVVXGFPAUHB-SIKLNZKXSA-N 2 2 394.003 3.956 20 0 GHADLP C[C@@H](CCc1ccc(Br)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655698029 837687869 /nfs/dbraw/zinc/68/78/69/837687869.db2.gz ZKAAGEJCIBGOET-HNAYVOBHSA-N 2 2 381.358 3.613 20 0 GHADLP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000173391390 837703217 /nfs/dbraw/zinc/70/32/17/837703217.db2.gz RONYZPCHVBZHMB-KRWDZBQOSA-N 2 2 392.975 3.651 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc2ccncc2s1 ZINC000657856706 834542276 /nfs/dbraw/zinc/54/22/76/834542276.db2.gz VQXFCTPZDPBKJV-KRWDZBQOSA-N 2 2 397.544 3.858 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000090585224 834617319 /nfs/dbraw/zinc/61/73/19/834617319.db2.gz UNGVYSHLFLPGNM-OAQYLSRUSA-N 3 2 375.576 3.790 20 0 GHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000090585224 834617322 /nfs/dbraw/zinc/61/73/22/834617322.db2.gz UNGVYSHLFLPGNM-OAQYLSRUSA-N 3 2 375.576 3.790 20 0 GHADLP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000138597903 834902475 /nfs/dbraw/zinc/90/24/75/834902475.db2.gz NYZMAMQEOZJWKY-UHFFFAOYSA-N 2 2 392.528 3.733 20 0 GHADLP CC[C@]1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)OCCc2ccccc21 ZINC000685657121 835271345 /nfs/dbraw/zinc/27/13/45/835271345.db2.gz DLRVFLDNKJLSKU-WDJPJFJCSA-N 2 2 379.548 3.760 20 0 GHADLP CC[C@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)OCCc2ccccc21 ZINC000685657121 835271351 /nfs/dbraw/zinc/27/13/51/835271351.db2.gz DLRVFLDNKJLSKU-WDJPJFJCSA-N 2 2 379.548 3.760 20 0 GHADLP CC(C)c1ncsc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000410686200 844048740 /nfs/dbraw/zinc/04/87/40/844048740.db2.gz GGCISJKLDWRPCN-ROUUACIJSA-N 2 2 392.613 3.676 20 0 GHADLP CC(C)c1ncsc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410686200 844048748 /nfs/dbraw/zinc/04/87/48/844048748.db2.gz GGCISJKLDWRPCN-ROUUACIJSA-N 2 2 392.613 3.676 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658053947 835397060 /nfs/dbraw/zinc/39/70/60/835397060.db2.gz CDGQEGYZCAEIKN-BBRMVZONSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658053947 835397068 /nfs/dbraw/zinc/39/70/68/835397068.db2.gz CDGQEGYZCAEIKN-BBRMVZONSA-N 2 2 382.346 3.629 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000471173469 835412688 /nfs/dbraw/zinc/41/26/88/835412688.db2.gz RQDOVRDOBWRJBS-GHTZIAJQSA-N 2 2 394.544 3.947 20 0 GHADLP O=C(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000471173469 835412690 /nfs/dbraw/zinc/41/26/90/835412690.db2.gz RQDOVRDOBWRJBS-GHTZIAJQSA-N 2 2 394.544 3.947 20 0 GHADLP COCC[NH+]1CCC([NH2+]Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 ZINC000151432005 835435107 /nfs/dbraw/zinc/43/51/07/835435107.db2.gz XLWKOMJVPURMEA-UHFFFAOYSA-N 2 2 384.568 3.679 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC(c1ccccc1)c1ccccc1 ZINC000471186791 835565161 /nfs/dbraw/zinc/56/51/61/835565161.db2.gz MLIORHXVRKFBQO-OAQYLSRUSA-N 2 2 388.515 3.885 20 0 GHADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC(c1ccccc1)c1ccccc1 ZINC000471186791 835565173 /nfs/dbraw/zinc/56/51/73/835565173.db2.gz MLIORHXVRKFBQO-OAQYLSRUSA-N 2 2 388.515 3.885 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000154358635 835572956 /nfs/dbraw/zinc/57/29/56/835572956.db2.gz HGHRUUNYWKYACJ-YVNJGZBMSA-N 2 2 395.551 3.529 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC[N@H+]1Cc1ccccc1 ZINC000154358635 835572962 /nfs/dbraw/zinc/57/29/62/835572962.db2.gz HGHRUUNYWKYACJ-YVNJGZBMSA-N 2 2 395.551 3.529 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000191486376 835576331 /nfs/dbraw/zinc/57/63/31/835576331.db2.gz HEYCFQCHZZQGAP-UHFFFAOYSA-N 2 2 390.894 3.731 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000191486376 835576340 /nfs/dbraw/zinc/57/63/40/835576340.db2.gz HEYCFQCHZZQGAP-UHFFFAOYSA-N 2 2 390.894 3.731 20 0 GHADLP COc1ccc(-c2noc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)n2)cc1 ZINC000278786089 835943127 /nfs/dbraw/zinc/94/31/27/835943127.db2.gz DQFXFRCOLODLTH-UHFFFAOYSA-N 2 2 393.491 3.658 20 0 GHADLP COc1ccc(CCC[N@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001167130420 836502064 /nfs/dbraw/zinc/50/20/64/836502064.db2.gz HBZPIMVIAVHWSN-DEOSSOPVSA-N 2 2 382.548 3.851 20 0 GHADLP COc1ccc(CCC[N@@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001167130420 836502072 /nfs/dbraw/zinc/50/20/72/836502072.db2.gz HBZPIMVIAVHWSN-DEOSSOPVSA-N 2 2 382.548 3.851 20 0 GHADLP COc1ccc(CCC[NH+](C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001167130420 836502076 /nfs/dbraw/zinc/50/20/76/836502076.db2.gz HBZPIMVIAVHWSN-DEOSSOPVSA-N 2 2 382.548 3.851 20 0 GHADLP COc1ccc(CCC[NH+](C)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001167130420 836502081 /nfs/dbraw/zinc/50/20/81/836502081.db2.gz HBZPIMVIAVHWSN-DEOSSOPVSA-N 2 2 382.548 3.851 20 0 GHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000685795540 836616515 /nfs/dbraw/zinc/61/65/15/836616515.db2.gz YSJHFWKSVSYYIL-UHFFFAOYSA-N 2 2 394.563 3.589 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000513057246 844189481 /nfs/dbraw/zinc/18/94/81/844189481.db2.gz LDMAPGHIGKMMOG-KNQAVFIVSA-N 2 2 377.532 3.609 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000513057246 844189482 /nfs/dbraw/zinc/18/94/82/844189482.db2.gz LDMAPGHIGKMMOG-KNQAVFIVSA-N 2 2 377.532 3.609 20 0 GHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1cccc(Oc2ccccc2)c1 ZINC000109796290 836706399 /nfs/dbraw/zinc/70/63/99/836706399.db2.gz VUCLLOIZSVSJNT-UHFFFAOYSA-N 2 2 376.460 3.951 20 0 GHADLP CN(C(=O)c1ccsc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612958376 837017507 /nfs/dbraw/zinc/01/75/07/837017507.db2.gz BCWFRKPLWBGBKU-SJORKVTESA-N 2 2 383.989 3.811 20 0 GHADLP CN(C(=O)c1ccsc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612958376 837017512 /nfs/dbraw/zinc/01/75/12/837017512.db2.gz BCWFRKPLWBGBKU-SJORKVTESA-N 2 2 383.989 3.811 20 0 GHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000530566142 837068374 /nfs/dbraw/zinc/06/83/74/837068374.db2.gz XQWOUGDCYXLIHT-SFTDATJTSA-N 2 2 381.520 3.587 20 0 GHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000530566142 837068386 /nfs/dbraw/zinc/06/83/86/837068386.db2.gz XQWOUGDCYXLIHT-SFTDATJTSA-N 2 2 381.520 3.587 20 0 GHADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCc3ccccc3NC2=O)CC1 ZINC000655791572 837916481 /nfs/dbraw/zinc/91/64/81/837916481.db2.gz PCWPPACCMHSCHS-JPYJTQIMSA-N 2 2 377.532 3.625 20 0 GHADLP Cc1cccc2c1cc[nH+]c2N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000579951090 837995293 /nfs/dbraw/zinc/99/52/93/837995293.db2.gz MVKTYYABYNUUFI-RTBURBONSA-N 2 2 383.536 3.638 20 0 GHADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cc2OCCCO)CC1 ZINC000462945475 838075733 /nfs/dbraw/zinc/07/57/33/838075733.db2.gz MWYZJRBMDAKDJK-OAHLLOKOSA-N 2 2 399.373 3.734 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cnc(CC(F)(F)F)s3)[nH+]c2)CC1 ZINC000893135023 838204497 /nfs/dbraw/zinc/20/44/97/838204497.db2.gz LVNCMAYNYWXGIG-UHFFFAOYSA-N 2 2 399.486 3.785 20 0 GHADLP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000415969654 838338403 /nfs/dbraw/zinc/33/84/03/838338403.db2.gz YRXLFQKTPSZCII-RTBURBONSA-N 2 2 390.890 3.765 20 0 GHADLP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000415969654 838338411 /nfs/dbraw/zinc/33/84/11/838338411.db2.gz YRXLFQKTPSZCII-RTBURBONSA-N 2 2 390.890 3.765 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]Cc3ccc4cnccc4c3)CC2)cc1 ZINC000683766013 838626275 /nfs/dbraw/zinc/62/62/75/838626275.db2.gz QEDIPLQWCBDTIU-UHFFFAOYSA-N 2 2 388.559 3.922 20 0 GHADLP CCn1c2ccc(Br)cc2nc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894000537 844349841 /nfs/dbraw/zinc/34/98/41/844349841.db2.gz QEWHSCCIFYVVJI-GOOCMWNKSA-N 2 2 377.330 3.534 20 0 GHADLP CCn1c2ccc(Br)cc2nc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894000537 844349865 /nfs/dbraw/zinc/34/98/65/844349865.db2.gz QEWHSCCIFYVVJI-GOOCMWNKSA-N 2 2 377.330 3.534 20 0 GHADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000659912901 838655376 /nfs/dbraw/zinc/65/53/76/838655376.db2.gz JKMOFSDPTKKIDS-GDBMZVCRSA-N 2 2 387.387 3.619 20 0 GHADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000659912901 838655380 /nfs/dbraw/zinc/65/53/80/838655380.db2.gz JKMOFSDPTKKIDS-GDBMZVCRSA-N 2 2 387.387 3.619 20 0 GHADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000659912901 838655382 /nfs/dbraw/zinc/65/53/82/838655382.db2.gz JKMOFSDPTKKIDS-GDBMZVCRSA-N 2 2 387.387 3.619 20 0 GHADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000659912901 838655387 /nfs/dbraw/zinc/65/53/87/838655387.db2.gz JKMOFSDPTKKIDS-GDBMZVCRSA-N 2 2 387.387 3.619 20 0 GHADLP CC(=O)Nc1nc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cs1 ZINC000378302487 838821039 /nfs/dbraw/zinc/82/10/39/838821039.db2.gz YOJWAUVIGUAHFR-UHFFFAOYSA-N 2 2 384.549 3.590 20 0 GHADLP CC(=O)Nc1nc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cs1 ZINC000378302487 838821045 /nfs/dbraw/zinc/82/10/45/838821045.db2.gz YOJWAUVIGUAHFR-UHFFFAOYSA-N 2 2 384.549 3.590 20 0 GHADLP COC(=O)c1ccc(Br)cc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000549139496 838985046 /nfs/dbraw/zinc/98/50/46/838985046.db2.gz XZSGWBZSJQKQKQ-UHFFFAOYSA-N 2 2 397.357 3.788 20 0 GHADLP COC(=O)c1ccc(Br)cc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000549139496 838985054 /nfs/dbraw/zinc/98/50/54/838985054.db2.gz XZSGWBZSJQKQKQ-UHFFFAOYSA-N 2 2 397.357 3.788 20 0 GHADLP CC(C)[C@@H]1C[C@@H](CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000683849772 839145046 /nfs/dbraw/zinc/14/50/46/839145046.db2.gz AKRYZWCALAUFOE-LEEZEASISA-N 2 2 397.607 3.931 20 0 GHADLP CC(C)[C@@H]1C[C@@H](CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000683849772 839145052 /nfs/dbraw/zinc/14/50/52/839145052.db2.gz AKRYZWCALAUFOE-LEEZEASISA-N 2 2 397.607 3.931 20 0 GHADLP Cc1cc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc1OCC[NH+](C)C ZINC000458194718 844439119 /nfs/dbraw/zinc/43/91/19/844439119.db2.gz DYLLTEQPZQCXOG-INIZCTEOSA-N 2 2 384.524 3.526 20 0 GHADLP Cc1cc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc1OCC[NH+](C)C ZINC000458194718 844439122 /nfs/dbraw/zinc/43/91/22/844439122.db2.gz DYLLTEQPZQCXOG-INIZCTEOSA-N 2 2 384.524 3.526 20 0 GHADLP [NH3+]CCCN(CC1CCCC1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000415365080 839672015 /nfs/dbraw/zinc/67/20/15/839672015.db2.gz TUASQQWRJHPTMN-UHFFFAOYSA-N 2 2 393.535 3.975 20 0 GHADLP C[C@H](CCNC(=O)NCc1ccccc1-n1cc[nH+]c1)[N@H+](C)Cc1ccccc1 ZINC000473010145 840110090 /nfs/dbraw/zinc/11/00/90/840110090.db2.gz OAKTZNLBQFLPQW-LJQANCHMSA-N 2 2 391.519 3.582 20 0 GHADLP C[C@H](CCNC(=O)NCc1ccccc1-n1cc[nH+]c1)[N@@H+](C)Cc1ccccc1 ZINC000473010145 840110093 /nfs/dbraw/zinc/11/00/93/840110093.db2.gz OAKTZNLBQFLPQW-LJQANCHMSA-N 2 2 391.519 3.582 20 0 GHADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000581006075 840586457 /nfs/dbraw/zinc/58/64/57/840586457.db2.gz YFFVTSDGKJPDGU-YPMHNXCESA-N 2 2 389.853 3.802 20 0 GHADLP O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000581075764 840669574 /nfs/dbraw/zinc/66/95/74/840669574.db2.gz UOCFNQUVGMPAMA-QGZVFWFLSA-N 2 2 384.549 3.662 20 0 GHADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000581168182 840815344 /nfs/dbraw/zinc/81/53/44/840815344.db2.gz MPVSCKNRUYQHDG-NFBKMPQASA-N 2 2 395.547 3.593 20 0 GHADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000581168182 840815352 /nfs/dbraw/zinc/81/53/52/840815352.db2.gz MPVSCKNRUYQHDG-NFBKMPQASA-N 2 2 395.547 3.593 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000548159929 841092945 /nfs/dbraw/zinc/09/29/45/841092945.db2.gz PXRYTGXHJRJGAA-YHYVQYDKSA-N 2 2 397.950 3.946 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000548159929 841092956 /nfs/dbraw/zinc/09/29/56/841092956.db2.gz PXRYTGXHJRJGAA-YHYVQYDKSA-N 2 2 397.950 3.946 20 0 GHADLP c1c(C[NH2+]CCCNc2cccc[nH+]2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000177591121 861199015 /nfs/dbraw/zinc/19/90/15/861199015.db2.gz WUVWVTHBKWEOCE-UHFFFAOYSA-N 2 2 384.487 3.921 20 0 GHADLP Cc1cc(C)c(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c[nH+]1 ZINC000661291422 841610965 /nfs/dbraw/zinc/61/09/65/841610965.db2.gz GWYWUQCWTGTUFA-JOCHJYFZSA-N 2 2 392.547 3.800 20 0 GHADLP Cc1cc(C)c(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c[nH+]1 ZINC000661291422 841610973 /nfs/dbraw/zinc/61/09/73/841610973.db2.gz GWYWUQCWTGTUFA-JOCHJYFZSA-N 2 2 392.547 3.800 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccccc1OCc1ccccc1 ZINC000581634851 841846126 /nfs/dbraw/zinc/84/61/26/841846126.db2.gz IHHPWFWGCSPLRN-UHFFFAOYSA-N 2 2 381.564 3.723 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccccc1OCc1ccccc1 ZINC000581634851 841846132 /nfs/dbraw/zinc/84/61/32/841846132.db2.gz IHHPWFWGCSPLRN-UHFFFAOYSA-N 2 2 381.564 3.723 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893487731 842039075 /nfs/dbraw/zinc/03/90/75/842039075.db2.gz MBIMLBRICCJTGL-HZPDHXFCSA-N 2 2 389.544 3.566 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487731 842039082 /nfs/dbraw/zinc/03/90/82/842039082.db2.gz MBIMLBRICCJTGL-HZPDHXFCSA-N 2 2 389.544 3.566 20 0 GHADLP COc1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c(Br)c1 ZINC000512012077 842132460 /nfs/dbraw/zinc/13/24/60/842132460.db2.gz YKJWQHVDBYIXGQ-UHFFFAOYSA-N 2 2 381.289 3.948 20 0 GHADLP Cc1cc(NCCCC[NH+]2CCOCC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000604881687 842170608 /nfs/dbraw/zinc/17/06/08/842170608.db2.gz KWXIAQZZFNSCQX-UHFFFAOYSA-N 2 2 383.414 3.966 20 0 GHADLP C[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Oc1ccc(Br)cc1 ZINC000512036932 842240521 /nfs/dbraw/zinc/24/05/21/842240521.db2.gz MRTOLECDMBQKMD-LBPRGKRZSA-N 2 2 384.343 3.524 20 0 GHADLP C[C@@H]1CCC[N@H+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)[C@@H]1CC[NH3+] ZINC000652354467 842350667 /nfs/dbraw/zinc/35/06/67/842350667.db2.gz ZKXVPJIOBOKQJN-FQELHTAISA-N 2 2 389.540 3.542 20 0 GHADLP C[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)[C@@H]1CC[NH3+] ZINC000652354467 842350681 /nfs/dbraw/zinc/35/06/81/842350681.db2.gz ZKXVPJIOBOKQJN-FQELHTAISA-N 2 2 389.540 3.542 20 0 GHADLP C[C@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278950559 842365991 /nfs/dbraw/zinc/36/59/91/842365991.db2.gz VPQHSTATPOGFJI-OAHLLOKOSA-N 2 2 377.492 3.547 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)s1 ZINC000511942955 842513331 /nfs/dbraw/zinc/51/33/31/842513331.db2.gz MSVUQUJVYZOXJY-GFCCVEGCSA-N 2 2 385.364 3.880 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603882647 861322000 /nfs/dbraw/zinc/32/20/00/861322000.db2.gz TTZPBSWMADVYLC-QGZVFWFLSA-N 2 2 378.476 3.840 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603882647 861322020 /nfs/dbraw/zinc/32/20/20/861322020.db2.gz TTZPBSWMADVYLC-QGZVFWFLSA-N 2 2 378.476 3.840 20 0 GHADLP COc1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(Br)c1 ZINC000512129315 842590262 /nfs/dbraw/zinc/59/02/62/842590262.db2.gz KPKPNPQPPMVKHJ-UHFFFAOYSA-N 2 2 386.293 3.992 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2OCc2ccccn2)[C@@H](C)C1 ZINC000245713800 842614799 /nfs/dbraw/zinc/61/47/99/842614799.db2.gz GLOQHALQVQCUQO-PGRDOPGGSA-N 2 2 383.536 3.831 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2OCc2ccccn2)[C@@H](C)C1 ZINC000245713800 842614800 /nfs/dbraw/zinc/61/48/00/842614800.db2.gz GLOQHALQVQCUQO-PGRDOPGGSA-N 2 2 383.536 3.831 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)ccc2OCc2ccccn2)[C@@H](C)C1 ZINC000245713800 842614802 /nfs/dbraw/zinc/61/48/02/842614802.db2.gz GLOQHALQVQCUQO-PGRDOPGGSA-N 2 2 383.536 3.831 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)ccc2OCc2ccccn2)[C@@H](C)C1 ZINC000245713800 842614804 /nfs/dbraw/zinc/61/48/04/842614804.db2.gz GLOQHALQVQCUQO-PGRDOPGGSA-N 2 2 383.536 3.831 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162053 842654211 /nfs/dbraw/zinc/65/42/11/842654211.db2.gz FFURACHNFOQGRH-KSZLIROESA-N 2 2 396.293 3.694 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162053 842654213 /nfs/dbraw/zinc/65/42/13/842654213.db2.gz FFURACHNFOQGRH-KSZLIROESA-N 2 2 396.293 3.694 20 0 GHADLP FC(F)(F)[C@@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)COC2)C1 ZINC000248420999 842681582 /nfs/dbraw/zinc/68/15/82/842681582.db2.gz MBZIDHOKVFEEOH-ZIAGYGMSSA-N 2 2 388.396 3.552 20 0 GHADLP FC(F)(F)[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)COC2)C1 ZINC000248420999 842681589 /nfs/dbraw/zinc/68/15/89/842681589.db2.gz MBZIDHOKVFEEOH-ZIAGYGMSSA-N 2 2 388.396 3.552 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(OC)c1OCc1ccccc1 ZINC000581943519 842781506 /nfs/dbraw/zinc/78/15/06/842781506.db2.gz KVDLSCZBXUQYIH-XMMPIXPASA-N 2 2 396.531 3.858 20 0 GHADLP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(OC)c1OCc1ccccc1 ZINC000581943519 842781513 /nfs/dbraw/zinc/78/15/13/842781513.db2.gz KVDLSCZBXUQYIH-XMMPIXPASA-N 2 2 396.531 3.858 20 0 GHADLP COc1ccccc1-n1nccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000430725355 842903753 /nfs/dbraw/zinc/90/37/53/842903753.db2.gz QROQHWUWKIMKRU-OAQYLSRUSA-N 2 2 390.531 3.835 20 0 GHADLP COc1ccccc1-n1nccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000430725355 842903759 /nfs/dbraw/zinc/90/37/59/842903759.db2.gz QROQHWUWKIMKRU-OAQYLSRUSA-N 2 2 390.531 3.835 20 0 GHADLP COc1ccccc1-n1nccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000430725355 842903762 /nfs/dbraw/zinc/90/37/62/842903762.db2.gz QROQHWUWKIMKRU-OAQYLSRUSA-N 2 2 390.531 3.835 20 0 GHADLP COc1ccccc1-n1nccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000430725355 842903770 /nfs/dbraw/zinc/90/37/70/842903770.db2.gz QROQHWUWKIMKRU-OAQYLSRUSA-N 2 2 390.531 3.835 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1OC)c1ccccc1Cl ZINC000430855319 843084069 /nfs/dbraw/zinc/08/40/69/843084069.db2.gz SATLOAAQXZSUPJ-QUCCMNQESA-N 2 2 389.927 3.548 20 0 GHADLP Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)[NH+]2CCCC2)cc1 ZINC000247667404 843138042 /nfs/dbraw/zinc/13/80/42/843138042.db2.gz QOCURFVYJGPARC-HJNYFJLDSA-N 2 2 395.551 3.621 20 0 GHADLP O=C(C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1cccc(Cl)c1 ZINC000432663986 843371091 /nfs/dbraw/zinc/37/10/91/843371091.db2.gz LTCJJGHXZHPBTP-SFHVURJKSA-N 2 2 389.952 3.984 20 0 GHADLP O=C(C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1cccc(Cl)c1 ZINC000432663986 843371105 /nfs/dbraw/zinc/37/11/05/843371105.db2.gz LTCJJGHXZHPBTP-SFHVURJKSA-N 2 2 389.952 3.984 20 0 GHADLP [NH3+]CCC[C@@H](NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000418673380 843525212 /nfs/dbraw/zinc/52/52/12/843525212.db2.gz NKJKHULCGKQOHB-JXOZOUPFSA-N 2 2 392.547 3.507 20 0 GHADLP CCC[N@H+](CC(=O)Nc1c(Cl)cccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000431069846 843539515 /nfs/dbraw/zinc/53/95/15/843539515.db2.gz IGXYDFMTSQEZOY-UHFFFAOYSA-N 2 2 377.838 3.761 20 0 GHADLP CCC[N@@H+](CC(=O)Nc1c(Cl)cccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000431069846 843539523 /nfs/dbraw/zinc/53/95/23/843539523.db2.gz IGXYDFMTSQEZOY-UHFFFAOYSA-N 2 2 377.838 3.761 20 0 GHADLP Fc1cc(Br)ccc1[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000925777558 843688975 /nfs/dbraw/zinc/68/89/75/843688975.db2.gz POXLBCRURLOSNI-NHYWBVRUSA-N 2 2 377.248 3.874 20 0 GHADLP O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000510895499 843742682 /nfs/dbraw/zinc/74/26/82/843742682.db2.gz FKKWSEJSPVKWMI-UHFFFAOYSA-N 2 2 378.501 3.673 20 0 GHADLP CN(C(=O)c1cn(C)c2ccccc12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535848723 844767135 /nfs/dbraw/zinc/76/71/35/844767135.db2.gz ATGAOMTWDONICB-GOTSBHOMSA-N 2 2 396.579 3.588 20 0 GHADLP CN(C(=O)c1cn(C)c2ccccc12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535848723 844767148 /nfs/dbraw/zinc/76/71/48/844767148.db2.gz ATGAOMTWDONICB-GOTSBHOMSA-N 2 2 396.579 3.588 20 0 GHADLP CN(C(=O)[C@@H]1CC12CCCCC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535853053 844797464 /nfs/dbraw/zinc/79/74/64/844797464.db2.gz ACJUEDRNHSGEDJ-HBMCJLEFSA-N 2 2 375.601 3.752 20 0 GHADLP CN(C(=O)[C@@H]1CC12CCCCC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535853053 844797473 /nfs/dbraw/zinc/79/74/73/844797473.db2.gz ACJUEDRNHSGEDJ-HBMCJLEFSA-N 2 2 375.601 3.752 20 0 GHADLP O=C1Nc2ccccc2C12CCC([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)CC2 ZINC000152120422 844797547 /nfs/dbraw/zinc/79/75/47/844797547.db2.gz GGBUSSHUEUBCOA-UHFFFAOYSA-N 2 2 386.499 3.854 20 0 GHADLP CC(C)C1CCC([N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000433150926 845515213 /nfs/dbraw/zinc/51/52/13/845515213.db2.gz MTMBDERWWLRMBR-UHFFFAOYSA-N 2 2 387.568 3.604 20 0 GHADLP Cc1cc(F)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000124576473 845540671 /nfs/dbraw/zinc/54/06/71/845540671.db2.gz FSBAMFKWQFJOJR-LEWJYISDSA-N 2 2 393.522 3.682 20 0 GHADLP Cc1cc(F)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000124576473 845540683 /nfs/dbraw/zinc/54/06/83/845540683.db2.gz FSBAMFKWQFJOJR-LEWJYISDSA-N 2 2 393.522 3.682 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000673750986 861582239 /nfs/dbraw/zinc/58/22/39/861582239.db2.gz YLLWHZDNVBPQLM-FQEVSTJZSA-N 2 2 382.895 3.618 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@@H](C)CC2CCOCC2)[C@@H]1c1cnn(C)c1 ZINC000434015109 845729788 /nfs/dbraw/zinc/72/97/88/845729788.db2.gz BPVQHECQEFSUTC-RCZSKKKRSA-N 2 2 376.589 3.578 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@@H](C)CC2CCOCC2)[C@@H]1c1cnn(C)c1 ZINC000434015109 845729793 /nfs/dbraw/zinc/72/97/93/845729793.db2.gz BPVQHECQEFSUTC-RCZSKKKRSA-N 2 2 376.589 3.578 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@@H](C)CC2CCOCC2)[C@@H]1c1cnn(C)c1 ZINC000434015109 845729802 /nfs/dbraw/zinc/72/98/02/845729802.db2.gz BPVQHECQEFSUTC-RCZSKKKRSA-N 2 2 376.589 3.578 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@@H](C)CC2CCOCC2)[C@@H]1c1cnn(C)c1 ZINC000434015109 845729809 /nfs/dbraw/zinc/72/98/09/845729809.db2.gz BPVQHECQEFSUTC-RCZSKKKRSA-N 2 2 376.589 3.578 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000124649467 846003227 /nfs/dbraw/zinc/00/32/27/846003227.db2.gz AGGZBYDLWNORJQ-PMACEKPBSA-N 2 2 377.598 3.774 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000124649467 846003235 /nfs/dbraw/zinc/00/32/35/846003235.db2.gz AGGZBYDLWNORJQ-PMACEKPBSA-N 2 2 377.598 3.774 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cnn(C2CCCC2)c1 ZINC000502723849 846399077 /nfs/dbraw/zinc/39/90/77/846399077.db2.gz RPXVZMWFCYLPGR-LJQANCHMSA-N 2 2 398.551 3.560 20 0 GHADLP CC(=O)NCC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccc(Cl)cc1Cl ZINC000502791133 846468579 /nfs/dbraw/zinc/46/85/79/846468579.db2.gz OPPWFUHVABXXIP-UHFFFAOYSA-N 2 2 397.350 3.917 20 0 GHADLP CC(=O)NCC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccc(Cl)cc1Cl ZINC000502791133 846468587 /nfs/dbraw/zinc/46/85/87/846468587.db2.gz OPPWFUHVABXXIP-UHFFFAOYSA-N 2 2 397.350 3.917 20 0 GHADLP CC1CC[NH+](CCCCNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CC1 ZINC000502804021 846487392 /nfs/dbraw/zinc/48/73/92/846487392.db2.gz RSUSYNAMRUUFLO-YFHOEESVSA-N 2 2 398.595 3.539 20 0 GHADLP CC[C@H](Sc1ccccc1)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422015774 846768251 /nfs/dbraw/zinc/76/82/51/846768251.db2.gz HRVQLSQKAJVXGB-NRFANRHFSA-N 2 2 389.609 3.576 20 0 GHADLP CC[C@H](Sc1ccccc1)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422015774 846768265 /nfs/dbraw/zinc/76/82/65/846768265.db2.gz HRVQLSQKAJVXGB-NRFANRHFSA-N 2 2 389.609 3.576 20 0 GHADLP CC[C@@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)C1CCC(C)CC1 ZINC000422015550 846768712 /nfs/dbraw/zinc/76/87/12/846768712.db2.gz GXLFWUUBZLEYIB-QETWGEEDSA-N 2 2 377.617 3.858 20 0 GHADLP CC[C@@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)C1CCC(C)CC1 ZINC000422015550 846768714 /nfs/dbraw/zinc/76/87/14/846768714.db2.gz GXLFWUUBZLEYIB-QETWGEEDSA-N 2 2 377.617 3.858 20 0 GHADLP Cc1cc(F)cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000179703010 861718408 /nfs/dbraw/zinc/71/84/08/861718408.db2.gz MVLZDJYVXNHHJA-NHCUHLMSSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cc(F)cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000179703010 861718416 /nfs/dbraw/zinc/71/84/16/861718416.db2.gz MVLZDJYVXNHHJA-NHCUHLMSSA-N 2 2 390.547 3.935 20 0 GHADLP Clc1cc(I)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000501428967 846923067 /nfs/dbraw/zinc/92/30/67/846923067.db2.gz WFICXSYIADEKDQ-UHFFFAOYSA-N 2 2 390.696 3.661 20 0 GHADLP COc1ccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1OC ZINC000272294205 847040047 /nfs/dbraw/zinc/04/00/47/847040047.db2.gz QJRXLKVNQNLPHD-INIZCTEOSA-N 2 2 384.524 3.802 20 0 GHADLP CC(C)NC(=O)Nc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272512914 847095887 /nfs/dbraw/zinc/09/58/87/847095887.db2.gz GOVKEKRIJYGFRP-UHFFFAOYSA-N 2 2 386.462 3.723 20 0 GHADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)c1 ZINC000273392847 847325657 /nfs/dbraw/zinc/32/56/57/847325657.db2.gz IUGOGCBFASAQDE-UHFFFAOYSA-N 2 2 394.968 3.874 20 0 GHADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)c1 ZINC000273392847 847325665 /nfs/dbraw/zinc/32/56/65/847325665.db2.gz IUGOGCBFASAQDE-UHFFFAOYSA-N 2 2 394.968 3.874 20 0 GHADLP CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000414463069 847347394 /nfs/dbraw/zinc/34/73/94/847347394.db2.gz ZVWOBZUCSIYHSA-GOSISDBHSA-N 2 2 392.590 3.544 20 0 GHADLP CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000414463069 847347403 /nfs/dbraw/zinc/34/74/03/847347403.db2.gz ZVWOBZUCSIYHSA-GOSISDBHSA-N 2 2 392.590 3.544 20 0 GHADLP Cc1cc(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc(C)[nH+]1 ZINC000420852317 847486762 /nfs/dbraw/zinc/48/67/62/847486762.db2.gz SBNOBPKDVFYCJF-DEOSSOPVSA-N 2 2 392.547 3.896 20 0 GHADLP Cc1cc(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc(C)[nH+]1 ZINC000420852317 847486766 /nfs/dbraw/zinc/48/67/66/847486766.db2.gz SBNOBPKDVFYCJF-DEOSSOPVSA-N 2 2 392.547 3.896 20 0 GHADLP Cc1cc(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc(C)[nH+]1 ZINC000420852318 847487101 /nfs/dbraw/zinc/48/71/01/847487101.db2.gz SBNOBPKDVFYCJF-XMMPIXPASA-N 2 2 392.547 3.896 20 0 GHADLP Cc1cc(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc(C)[nH+]1 ZINC000420852318 847487106 /nfs/dbraw/zinc/48/71/06/847487106.db2.gz SBNOBPKDVFYCJF-XMMPIXPASA-N 2 2 392.547 3.896 20 0 GHADLP CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000420948211 847568443 /nfs/dbraw/zinc/56/84/43/847568443.db2.gz PGULQBOHFDKGMJ-SFHVURJKSA-N 2 2 384.520 3.777 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3nc(-c4ccsc4)oc3C)CC2)CC1 ZINC000420986092 847592520 /nfs/dbraw/zinc/59/25/20/847592520.db2.gz XSHVJARSSHHLGX-UHFFFAOYSA-N 2 2 388.581 3.704 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3nc(-c4ccsc4)oc3C)CC2)CC1 ZINC000420986092 847592530 /nfs/dbraw/zinc/59/25/30/847592530.db2.gz XSHVJARSSHHLGX-UHFFFAOYSA-N 2 2 388.581 3.704 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3nc(-c4ccsc4)oc3C)CC2)CC1 ZINC000420986092 847592542 /nfs/dbraw/zinc/59/25/42/847592542.db2.gz XSHVJARSSHHLGX-UHFFFAOYSA-N 2 2 388.581 3.704 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3nc(-c4ccsc4)oc3C)CC2)CC1 ZINC000420986092 847592553 /nfs/dbraw/zinc/59/25/53/847592553.db2.gz XSHVJARSSHHLGX-UHFFFAOYSA-N 2 2 388.581 3.704 20 0 GHADLP CCc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503381463 847655688 /nfs/dbraw/zinc/65/56/88/847655688.db2.gz ZERYKBKHBDBOHN-OAQYLSRUSA-N 2 2 394.563 3.620 20 0 GHADLP CCc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503381463 847655699 /nfs/dbraw/zinc/65/56/99/847655699.db2.gz ZERYKBKHBDBOHN-OAQYLSRUSA-N 2 2 394.563 3.620 20 0 GHADLP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503406823 847670737 /nfs/dbraw/zinc/67/07/37/847670737.db2.gz NHIBPYNNWFRLIO-UYAOXDASSA-N 2 2 392.547 3.767 20 0 GHADLP C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503406823 847670740 /nfs/dbraw/zinc/67/07/40/847670740.db2.gz NHIBPYNNWFRLIO-UYAOXDASSA-N 2 2 392.547 3.767 20 0 GHADLP O=C1[C@@H]([N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCN1c1cccc(F)c1 ZINC000503441946 847707750 /nfs/dbraw/zinc/70/77/50/847707750.db2.gz PGORQKCDMUTVRY-UWJYYQICSA-N 2 2 396.510 3.734 20 0 GHADLP O=C1[C@@H]([N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCN1c1cccc(F)c1 ZINC000503441946 847707757 /nfs/dbraw/zinc/70/77/57/847707757.db2.gz PGORQKCDMUTVRY-UWJYYQICSA-N 2 2 396.510 3.734 20 0 GHADLP COc1ccccc1[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])N1CCCCC1 ZINC000422719517 847795254 /nfs/dbraw/zinc/79/52/54/847795254.db2.gz YJIIQJHXIQCMIO-VJBMBRPKSA-N 2 2 381.564 3.770 20 0 GHADLP CCC(CC)C(=O)N1CCC([NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422726433 847800130 /nfs/dbraw/zinc/80/01/30/847800130.db2.gz ZWSCHDLNVNCIRW-VXKWHMMOSA-N 2 2 387.568 3.505 20 0 GHADLP COc1ccc([C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422814826 847836897 /nfs/dbraw/zinc/83/68/97/847836897.db2.gz AGVQMPFHFCPFRL-GOTSBHOMSA-N 2 2 376.504 3.506 20 0 GHADLP COc1ccc([C@@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422824049 847840431 /nfs/dbraw/zinc/84/04/31/847840431.db2.gz MSUJIUVGHHTIBQ-DHIUTWEWSA-N 2 2 376.504 3.506 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC[N@@H+]1C ZINC000179904153 861839898 /nfs/dbraw/zinc/83/98/98/861839898.db2.gz RUSDMCNNDCTOCB-KSSFIOAISA-N 2 2 377.330 3.549 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC[N@H+]1C ZINC000179904153 861839912 /nfs/dbraw/zinc/83/99/12/861839912.db2.gz RUSDMCNNDCTOCB-KSSFIOAISA-N 2 2 377.330 3.549 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC[NH+]1C ZINC000179904153 861839921 /nfs/dbraw/zinc/83/99/21/861839921.db2.gz RUSDMCNNDCTOCB-KSSFIOAISA-N 2 2 377.330 3.549 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC[NH+]1C ZINC000179904153 861839928 /nfs/dbraw/zinc/83/99/28/861839928.db2.gz RUSDMCNNDCTOCB-KSSFIOAISA-N 2 2 377.330 3.549 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000116383196 847985524 /nfs/dbraw/zinc/98/55/24/847985524.db2.gz VOCBPHBCPDCZHG-KUHUBIRLSA-N 2 2 392.316 3.983 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000116383196 847985531 /nfs/dbraw/zinc/98/55/31/847985531.db2.gz VOCBPHBCPDCZHG-KUHUBIRLSA-N 2 2 392.316 3.983 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109882 848201383 /nfs/dbraw/zinc/20/13/83/848201383.db2.gz QRTMTQZSLNVBTN-IRLDBZIGSA-N 2 2 379.548 3.660 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109882 848201390 /nfs/dbraw/zinc/20/13/90/848201390.db2.gz QRTMTQZSLNVBTN-IRLDBZIGSA-N 2 2 379.548 3.660 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109882 848201398 /nfs/dbraw/zinc/20/13/98/848201398.db2.gz QRTMTQZSLNVBTN-IRLDBZIGSA-N 2 2 379.548 3.660 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109882 848201405 /nfs/dbraw/zinc/20/14/05/848201405.db2.gz QRTMTQZSLNVBTN-IRLDBZIGSA-N 2 2 379.548 3.660 20 0 GHADLP COc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1SC ZINC000192357958 861928149 /nfs/dbraw/zinc/92/81/49/861928149.db2.gz NCQRWPKHLXMFGG-HXUWFJFHSA-N 2 2 386.561 3.798 20 0 GHADLP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1SC ZINC000192357958 861928164 /nfs/dbraw/zinc/92/81/64/861928164.db2.gz NCQRWPKHLXMFGG-HXUWFJFHSA-N 2 2 386.561 3.798 20 0 GHADLP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000604206863 861947224 /nfs/dbraw/zinc/94/72/24/861947224.db2.gz WWCYFQDTMYKBJA-WOJBJXKFSA-N 2 2 381.524 3.526 20 0 GHADLP CCCOc1c(Cl)cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1OCC ZINC000657750245 849599289 /nfs/dbraw/zinc/59/92/89/849599289.db2.gz FGCSTBHRIZBADK-GOSISDBHSA-N 2 2 396.959 3.870 20 0 GHADLP C[C@H](NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423104736 849754892 /nfs/dbraw/zinc/75/48/92/849754892.db2.gz MPCZHKHUZPCVAT-IAOVAPTHSA-N 2 2 377.882 3.995 20 0 GHADLP C[C@H](NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423104736 849754899 /nfs/dbraw/zinc/75/48/99/849754899.db2.gz MPCZHKHUZPCVAT-IAOVAPTHSA-N 2 2 377.882 3.995 20 0 GHADLP CCN(CC)C(=O)Nc1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000423224275 849814463 /nfs/dbraw/zinc/81/44/63/849814463.db2.gz BPOUDPMMHKPTHB-KRWDZBQOSA-N 2 2 396.539 3.538 20 0 GHADLP CC[NH+](CC)Cc1cc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)ccc1OC ZINC000423240902 849824505 /nfs/dbraw/zinc/82/45/05/849824505.db2.gz XPWSMTXCSDMUNE-SFHVURJKSA-N 3 2 397.567 3.515 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000156231513 849826156 /nfs/dbraw/zinc/82/61/56/849826156.db2.gz XKJBLDZOWRXBLT-SFHVURJKSA-N 2 2 391.519 3.714 20 0 GHADLP CCC([NH3+])(CC)C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000423288417 849840375 /nfs/dbraw/zinc/84/03/75/849840375.db2.gz SABISTSEWIZCIP-OAQYLSRUSA-N 2 2 388.577 3.903 20 0 GHADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000423346638 849864625 /nfs/dbraw/zinc/86/46/25/849864625.db2.gz ZAUQPIDXTHYAJS-LXBDKUERSA-N 2 2 395.547 3.710 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2C)cc1 ZINC000423340758 849874436 /nfs/dbraw/zinc/87/44/36/849874436.db2.gz TVYWDPBMTZGYGA-HYVJGQCMSA-N 2 2 395.547 3.764 20 0 GHADLP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3csc(C(F)(F)F)n3)cc2)CC1 ZINC000894303151 849930937 /nfs/dbraw/zinc/93/09/37/849930937.db2.gz YTMIMZLVXCATDH-UHFFFAOYSA-N 2 2 385.455 3.925 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000434983339 849950831 /nfs/dbraw/zinc/95/08/31/849950831.db2.gz UTMTUQNQNPYSBE-QFIPXVFZSA-N 2 2 390.487 3.978 20 0 GHADLP Brc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423492441 849953708 /nfs/dbraw/zinc/95/37/08/849953708.db2.gz NCIYCRRZRZKZBQ-MOPGFXCFSA-N 2 2 375.310 3.507 20 0 GHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423514320 849962893 /nfs/dbraw/zinc/96/28/93/849962893.db2.gz WGHSFYGWDZYKDP-VGSWGCGISA-N 2 2 378.520 3.912 20 0 GHADLP CC[N@H+](C)[C@@H](c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)c1ccccc1 ZINC000504223255 849977763 /nfs/dbraw/zinc/97/77/63/849977763.db2.gz NZVOXGKNCQIFMN-OAQYLSRUSA-N 2 2 392.503 3.610 20 0 GHADLP CC[N@@H+](C)[C@@H](c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)c1ccccc1 ZINC000504223255 849977771 /nfs/dbraw/zinc/97/77/71/849977771.db2.gz NZVOXGKNCQIFMN-OAQYLSRUSA-N 2 2 392.503 3.610 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC000908417531 850090980 /nfs/dbraw/zinc/09/09/80/850090980.db2.gz XBTRIYVMWBKWDF-OAHLLOKOSA-N 2 2 381.480 3.772 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)sc1Br ZINC000486947265 850270637 /nfs/dbraw/zinc/27/06/37/850270637.db2.gz VZXPCXJJCDHQOK-XJKSGUPXSA-N 2 2 397.386 3.725 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)sc1Br ZINC000486947265 850270644 /nfs/dbraw/zinc/27/06/44/850270644.db2.gz VZXPCXJJCDHQOK-XJKSGUPXSA-N 2 2 397.386 3.725 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000435382404 850447784 /nfs/dbraw/zinc/44/77/84/850447784.db2.gz ZRRHOAIHAODBFV-LSDHHAIUSA-N 2 2 390.325 3.592 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000435382404 850447789 /nfs/dbraw/zinc/44/77/89/850447789.db2.gz ZRRHOAIHAODBFV-LSDHHAIUSA-N 2 2 390.325 3.592 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OC(F)F)c(Br)c2)CC[N@@H+]1C ZINC000180424209 862132248 /nfs/dbraw/zinc/13/22/48/862132248.db2.gz YPWIETHUNVZJOE-YPMHNXCESA-N 2 2 377.273 3.965 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OC(F)F)c(Br)c2)CC[N@H+]1C ZINC000180424209 862132252 /nfs/dbraw/zinc/13/22/52/862132252.db2.gz YPWIETHUNVZJOE-YPMHNXCESA-N 2 2 377.273 3.965 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OC(F)F)c(Br)c2)CC[NH+]1C ZINC000180424209 862132259 /nfs/dbraw/zinc/13/22/59/862132259.db2.gz YPWIETHUNVZJOE-YPMHNXCESA-N 2 2 377.273 3.965 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC(F)F)c(Br)c2)CC[NH+]1C ZINC000180424209 862132265 /nfs/dbraw/zinc/13/22/65/862132265.db2.gz YPWIETHUNVZJOE-YPMHNXCESA-N 2 2 377.273 3.965 20 0 GHADLP CC(=O)N(c1nc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cs1)c1ccc(F)cc1 ZINC000414793526 850502325 /nfs/dbraw/zinc/50/23/25/850502325.db2.gz DNNSLDQYFFPLSE-RDTXWAMCSA-N 2 2 376.501 3.574 20 0 GHADLP FC(F)Oc1cccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435426740 850507817 /nfs/dbraw/zinc/50/78/17/850507817.db2.gz JHNNMLIQIFNKQX-MRXNPFEDSA-N 2 2 379.476 3.889 20 0 GHADLP FC(F)Oc1cccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435426740 850507829 /nfs/dbraw/zinc/50/78/29/850507829.db2.gz JHNNMLIQIFNKQX-MRXNPFEDSA-N 2 2 379.476 3.889 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000505138620 850641811 /nfs/dbraw/zinc/64/18/11/850641811.db2.gz FUVGDYHWXCDFDK-UHFFFAOYSA-N 2 2 380.536 3.954 20 0 GHADLP COc1ccc(C)cc1NC(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435690274 850770644 /nfs/dbraw/zinc/77/06/44/850770644.db2.gz ACHFCDFGSAPKGE-FQEVSTJZSA-N 2 2 399.560 3.648 20 0 GHADLP COc1ccc(C)cc1NC(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435690274 850770649 /nfs/dbraw/zinc/77/06/49/850770649.db2.gz ACHFCDFGSAPKGE-FQEVSTJZSA-N 2 2 399.560 3.648 20 0 GHADLP O=C(C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1ccc(F)c(F)c1 ZINC000435691525 850771236 /nfs/dbraw/zinc/77/12/36/850771236.db2.gz GRADJTFRANPTTP-SFHVURJKSA-N 2 2 391.487 3.609 20 0 GHADLP O=C(C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1ccc(F)c(F)c1 ZINC000435691525 850771242 /nfs/dbraw/zinc/77/12/42/850771242.db2.gz GRADJTFRANPTTP-SFHVURJKSA-N 2 2 391.487 3.609 20 0 GHADLP COc1cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)ccc1OCc1ccccc1 ZINC000668785893 850788019 /nfs/dbraw/zinc/78/80/19/850788019.db2.gz QDFVNGCIJJBLAT-JOCHJYFZSA-N 2 2 398.547 3.817 20 0 GHADLP COc1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)ccc1OCc1ccccc1 ZINC000668785893 850788024 /nfs/dbraw/zinc/78/80/24/850788024.db2.gz QDFVNGCIJJBLAT-JOCHJYFZSA-N 2 2 398.547 3.817 20 0 GHADLP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513999621 851127967 /nfs/dbraw/zinc/12/79/67/851127967.db2.gz OIEQRECHYAJYBH-NRFANRHFSA-N 2 2 392.890 3.687 20 0 GHADLP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513999622 851128071 /nfs/dbraw/zinc/12/80/71/851128071.db2.gz OIEQRECHYAJYBH-OAQYLSRUSA-N 2 2 392.890 3.687 20 0 GHADLP Fc1ccc(Cn2cc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cn2)cc1 ZINC000515557137 851170589 /nfs/dbraw/zinc/17/05/89/851170589.db2.gz REARWBYISJXMLQ-UHFFFAOYSA-N 2 2 381.499 3.959 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000514145898 851291289 /nfs/dbraw/zinc/29/12/89/851291289.db2.gz QQNLGOCGCNIAHK-QFIPXVFZSA-N 2 2 391.519 3.755 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000484152604 862249700 /nfs/dbraw/zinc/24/97/00/862249700.db2.gz UMQIDNLQPSCMIX-IOMROCGXSA-N 2 2 386.536 3.835 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000484152604 862249717 /nfs/dbraw/zinc/24/97/17/862249717.db2.gz UMQIDNLQPSCMIX-IOMROCGXSA-N 2 2 386.536 3.835 20 0 GHADLP CCOc1cc(F)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(F)c1 ZINC001143571110 851688383 /nfs/dbraw/zinc/68/83/83/851688383.db2.gz YFFDKZYFNMQQGW-MSOLQXFVSA-N 2 2 387.474 3.712 20 0 GHADLP CCOc1cc(F)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(F)c1 ZINC001143571110 851688390 /nfs/dbraw/zinc/68/83/90/851688390.db2.gz YFFDKZYFNMQQGW-MSOLQXFVSA-N 2 2 387.474 3.712 20 0 GHADLP CCOc1cc(F)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c(F)c1 ZINC001143571110 851688396 /nfs/dbraw/zinc/68/83/96/851688396.db2.gz YFFDKZYFNMQQGW-MSOLQXFVSA-N 2 2 387.474 3.712 20 0 GHADLP CCOc1cc(F)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c(F)c1 ZINC001143571110 851688401 /nfs/dbraw/zinc/68/84/01/851688401.db2.gz YFFDKZYFNMQQGW-MSOLQXFVSA-N 2 2 387.474 3.712 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@@H]1c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000570254550 851794353 /nfs/dbraw/zinc/79/43/53/851794353.db2.gz NQOPAWIMPRFENX-HSZRJFAPSA-N 2 2 393.531 3.685 20 0 GHADLP O=C(C[N@H+]1CCCC[C@@H]1c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000570254550 851794358 /nfs/dbraw/zinc/79/43/58/851794358.db2.gz NQOPAWIMPRFENX-HSZRJFAPSA-N 2 2 393.531 3.685 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc3c(cccc3F)[nH]2)[C@@H]1c1cnn(C)c1 ZINC000437982025 851918059 /nfs/dbraw/zinc/91/80/59/851918059.db2.gz YFXFFLPRIPVRIY-KSFYIVLOSA-N 2 2 383.515 3.946 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc3c(cccc3F)[nH]2)[C@@H]1c1cnn(C)c1 ZINC000437982025 851918066 /nfs/dbraw/zinc/91/80/66/851918066.db2.gz YFXFFLPRIPVRIY-KSFYIVLOSA-N 2 2 383.515 3.946 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc3c(cccc3F)[nH]2)[C@@H]1c1cnn(C)c1 ZINC000437982025 851918074 /nfs/dbraw/zinc/91/80/74/851918074.db2.gz YFXFFLPRIPVRIY-KSFYIVLOSA-N 2 2 383.515 3.946 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc3c(cccc3F)[nH]2)[C@@H]1c1cnn(C)c1 ZINC000437982025 851918080 /nfs/dbraw/zinc/91/80/80/851918080.db2.gz YFXFFLPRIPVRIY-KSFYIVLOSA-N 2 2 383.515 3.946 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC[C@@H]21 ZINC000180734897 862306156 /nfs/dbraw/zinc/30/61/56/862306156.db2.gz JPIQGPCHAMYSML-OFNKIYASSA-N 2 2 387.531 3.850 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC[C@@H]21 ZINC000180734897 862306174 /nfs/dbraw/zinc/30/61/74/862306174.db2.gz JPIQGPCHAMYSML-OFNKIYASSA-N 2 2 387.531 3.850 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC[C@@H]21 ZINC000180734897 862306189 /nfs/dbraw/zinc/30/61/89/862306189.db2.gz JPIQGPCHAMYSML-OFNKIYASSA-N 2 2 387.531 3.850 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC[C@@H]21 ZINC000180734897 862306206 /nfs/dbraw/zinc/30/62/06/862306206.db2.gz JPIQGPCHAMYSML-OFNKIYASSA-N 2 2 387.531 3.850 20 0 GHADLP c1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)onc1-c1ccc2c(c1)OCO2 ZINC001167977901 851932243 /nfs/dbraw/zinc/93/22/43/851932243.db2.gz IRXHJJKYSBZWHU-AYHJJNSGSA-N 2 2 381.476 3.565 20 0 GHADLP c1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)onc1-c1ccc2c(c1)OCO2 ZINC001167977901 851932246 /nfs/dbraw/zinc/93/22/46/851932246.db2.gz IRXHJJKYSBZWHU-AYHJJNSGSA-N 2 2 381.476 3.565 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180725248 862300351 /nfs/dbraw/zinc/30/03/51/862300351.db2.gz ZXUGYCCUZJYROQ-HNAYVOBHSA-N 2 2 380.879 3.982 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC[C@@H]21 ZINC000180733025 862303417 /nfs/dbraw/zinc/30/34/17/862303417.db2.gz FVBDCPIKASUDLX-REWPJTCUSA-N 2 2 387.531 3.850 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC[C@@H]21 ZINC000180733025 862303435 /nfs/dbraw/zinc/30/34/35/862303435.db2.gz FVBDCPIKASUDLX-REWPJTCUSA-N 2 2 387.531 3.850 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC[C@@H]21 ZINC000180733025 862303453 /nfs/dbraw/zinc/30/34/53/862303453.db2.gz FVBDCPIKASUDLX-REWPJTCUSA-N 2 2 387.531 3.850 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC[C@@H]21 ZINC000180733025 862303470 /nfs/dbraw/zinc/30/34/70/862303470.db2.gz FVBDCPIKASUDLX-REWPJTCUSA-N 2 2 387.531 3.850 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000438084387 852023555 /nfs/dbraw/zinc/02/35/55/852023555.db2.gz YOIYQBNCROHWEX-UHFFFAOYSA-N 2 2 394.515 3.769 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000438104732 852033620 /nfs/dbraw/zinc/03/36/20/852033620.db2.gz MCODKUNDXCKEPC-PGRDOPGGSA-N 2 2 396.531 3.967 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000438104732 852033630 /nfs/dbraw/zinc/03/36/30/852033630.db2.gz MCODKUNDXCKEPC-PGRDOPGGSA-N 2 2 396.531 3.967 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000438104732 852033641 /nfs/dbraw/zinc/03/36/41/852033641.db2.gz MCODKUNDXCKEPC-PGRDOPGGSA-N 2 2 396.531 3.967 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000438104732 852033652 /nfs/dbraw/zinc/03/36/52/852033652.db2.gz MCODKUNDXCKEPC-PGRDOPGGSA-N 2 2 396.531 3.967 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCc4ccccc43)CC2)cc1 ZINC000894729495 852049699 /nfs/dbraw/zinc/04/96/99/852049699.db2.gz QFYJIEAVGYLGIS-NRFANRHFSA-N 2 2 377.532 3.929 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C2CC2)cc1 ZINC000550238618 852081355 /nfs/dbraw/zinc/08/13/55/852081355.db2.gz LTNSSQGPJPMTGQ-XMMPIXPASA-N 2 2 383.580 3.719 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C2CC2)cc1 ZINC000550238618 852081365 /nfs/dbraw/zinc/08/13/65/852081365.db2.gz LTNSSQGPJPMTGQ-XMMPIXPASA-N 2 2 383.580 3.719 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)C2CC2)cc1 ZINC000550238618 852081377 /nfs/dbraw/zinc/08/13/77/852081377.db2.gz LTNSSQGPJPMTGQ-XMMPIXPASA-N 2 2 383.580 3.719 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)C2CC2)cc1 ZINC000550238618 852081385 /nfs/dbraw/zinc/08/13/85/852081385.db2.gz LTNSSQGPJPMTGQ-XMMPIXPASA-N 2 2 383.580 3.719 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000505851688 852116460 /nfs/dbraw/zinc/11/64/60/852116460.db2.gz OJKUHTIJFJSZES-QHCPKHFHSA-N 2 2 388.515 3.572 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000505851688 852116469 /nfs/dbraw/zinc/11/64/69/852116469.db2.gz OJKUHTIJFJSZES-QHCPKHFHSA-N 2 2 388.515 3.572 20 0 GHADLP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000489273872 852177376 /nfs/dbraw/zinc/17/73/76/852177376.db2.gz ZTJYAPDBCKCWBP-QHCPKHFHSA-N 2 2 393.531 3.764 20 0 GHADLP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000489273872 852177383 /nfs/dbraw/zinc/17/73/83/852177383.db2.gz ZTJYAPDBCKCWBP-QHCPKHFHSA-N 2 2 393.531 3.764 20 0 GHADLP C[C@@H]1[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000489956785 852671105 /nfs/dbraw/zinc/67/11/05/852671105.db2.gz NPDQEFMFEUFHNJ-BWKNWUBXSA-N 2 2 377.576 3.946 20 0 GHADLP CN(c1ccccc1C[NH+]1CCC([NH+]2CCCCC2)CC1)C1CC[NH+](C)CC1 ZINC000506325828 852742694 /nfs/dbraw/zinc/74/26/94/852742694.db2.gz KIGCFIMTDOWRBB-UHFFFAOYSA-N 3 2 384.612 3.667 20 0 GHADLP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000490172713 852805131 /nfs/dbraw/zinc/80/51/31/852805131.db2.gz QEMYBQYQWLXRHD-NRFANRHFSA-N 2 2 383.879 3.995 20 0 GHADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)cc1 ZINC000414949022 852839339 /nfs/dbraw/zinc/83/93/39/852839339.db2.gz ZJVGJLKARDXVPJ-AOMKIAJQSA-N 2 2 377.488 3.855 20 0 GHADLP C[C@@H](CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)n1cc[nH+]c1 ZINC000516654543 852843934 /nfs/dbraw/zinc/84/39/34/852843934.db2.gz FNIMTRCENGNWIC-HNNXBMFYSA-N 2 2 394.441 3.634 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccccc3C(F)F)CC2)CC1 ZINC000425753708 852896317 /nfs/dbraw/zinc/89/63/17/852896317.db2.gz CLHJNEGVJDSLTA-UHFFFAOYSA-N 2 2 380.483 3.648 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccccc3C(F)F)CC2)CC1 ZINC000425753708 852896323 /nfs/dbraw/zinc/89/63/23/852896323.db2.gz CLHJNEGVJDSLTA-UHFFFAOYSA-N 2 2 380.483 3.648 20 0 GHADLP c1nc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)sc1C1OCCO1 ZINC000289296567 852964666 /nfs/dbraw/zinc/96/46/66/852964666.db2.gz QIJJMLPSQZQQEA-UHFFFAOYSA-N 2 2 387.549 3.854 20 0 GHADLP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000516858538 853087392 /nfs/dbraw/zinc/08/73/92/853087392.db2.gz MJCZZKRVFFJNFC-QLFBSQMISA-N 2 2 398.536 3.600 20 0 GHADLP C[NH+](C)C1(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CCCCC1 ZINC000426237576 853104088 /nfs/dbraw/zinc/10/40/88/853104088.db2.gz LGUJRYJVIXEHPQ-LEWJYISDSA-N 2 2 395.551 3.675 20 0 GHADLP CCOc1c(C[NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c(C)nn1CC(C)C ZINC000518279289 853155919 /nfs/dbraw/zinc/15/59/19/853155919.db2.gz LZOXVGCZKLAUCG-KRWDZBQOSA-N 2 2 387.572 3.845 20 0 GHADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@H](C)c3nnnn3C3CCCCC3)C1)CCCC2 ZINC000329943167 862443975 /nfs/dbraw/zinc/44/39/75/862443975.db2.gz HOXAKAPYOPSCRT-CRAIPNDOSA-N 2 2 383.544 3.570 20 0 GHADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@H](C)c3nnnn3C3CCCCC3)C1)CCCC2 ZINC000329943167 862443984 /nfs/dbraw/zinc/44/39/84/862443984.db2.gz HOXAKAPYOPSCRT-CRAIPNDOSA-N 2 2 383.544 3.570 20 0 GHADLP Cc1cc(CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000518355950 853260351 /nfs/dbraw/zinc/26/03/51/853260351.db2.gz MZMLMKHGMRRUHB-OAQYLSRUSA-N 2 2 380.536 3.800 20 0 GHADLP Cc1cc(CNC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000518355950 853260355 /nfs/dbraw/zinc/26/03/55/853260355.db2.gz MZMLMKHGMRRUHB-OAQYLSRUSA-N 2 2 380.536 3.800 20 0 GHADLP CCn1c2ccc(Br)cc2nc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000517065883 853322624 /nfs/dbraw/zinc/32/26/24/853322624.db2.gz QJPRRBXBHWUBEG-UHFFFAOYSA-N 2 2 391.357 3.783 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623864477 862465060 /nfs/dbraw/zinc/46/50/60/862465060.db2.gz PQGUFXPDWAHNQE-MTNREXPMSA-N 2 2 399.560 3.765 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623864477 862465064 /nfs/dbraw/zinc/46/50/64/862465064.db2.gz PQGUFXPDWAHNQE-MTNREXPMSA-N 2 2 399.560 3.765 20 0 GHADLP C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000414912577 853477130 /nfs/dbraw/zinc/47/71/30/853477130.db2.gz VGFFEQZITBJUKX-ZACQAIPSSA-N 2 2 382.508 3.960 20 0 GHADLP Cc1cscc1CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000426364945 853595036 /nfs/dbraw/zinc/59/50/36/853595036.db2.gz KBWOVCRMXBRUMN-PMACEKPBSA-N 2 2 392.613 3.535 20 0 GHADLP Cc1cscc1CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000426364945 853595045 /nfs/dbraw/zinc/59/50/45/853595045.db2.gz KBWOVCRMXBRUMN-PMACEKPBSA-N 2 2 392.613 3.535 20 0 GHADLP Cc1ccc([C@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)[NH+](C)C)cc1 ZINC000519921663 853621773 /nfs/dbraw/zinc/62/17/73/853621773.db2.gz MZVQEECDBBQIJL-FCHUYYIVSA-N 2 2 397.588 3.504 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)[NH+](C)C)cc1 ZINC000519921665 853621952 /nfs/dbraw/zinc/62/19/52/853621952.db2.gz MZVQEECDBBQIJL-YADHBBJMSA-N 2 2 397.588 3.504 20 0 GHADLP CCC[NH+](CCC)CCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426401069 853702502 /nfs/dbraw/zinc/70/25/02/853702502.db2.gz MWVSDIQFZXNQEC-VXKWHMMOSA-N 2 2 397.567 3.923 20 0 GHADLP C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000171585245 862493461 /nfs/dbraw/zinc/49/34/61/862493461.db2.gz BNOYVPUFFVPDMM-KRWDZBQOSA-N 2 2 384.524 3.998 20 0 GHADLP Cc1cc(CNC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)cc(C)[nH+]1 ZINC000571070272 853728753 /nfs/dbraw/zinc/72/87/53/853728753.db2.gz VNAWUZCVPDKNJX-UHFFFAOYSA-N 2 2 380.536 3.930 20 0 GHADLP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000571080099 853733992 /nfs/dbraw/zinc/73/39/92/853733992.db2.gz NSAFDLOWKFGPPK-AUUYWEPGSA-N 2 2 389.902 3.893 20 0 GHADLP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000571080099 853733999 /nfs/dbraw/zinc/73/39/99/853733999.db2.gz NSAFDLOWKFGPPK-AUUYWEPGSA-N 2 2 389.902 3.893 20 0 GHADLP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000556051599 862499375 /nfs/dbraw/zinc/49/93/75/862499375.db2.gz GBNQLHNKSUBPIH-SDHOMARFSA-N 2 2 393.575 3.793 20 0 GHADLP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000556051599 862499382 /nfs/dbraw/zinc/49/93/82/862499382.db2.gz GBNQLHNKSUBPIH-SDHOMARFSA-N 2 2 393.575 3.793 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(OC(F)F)c(Br)c3)CC[C@@H]21 ZINC000539404292 854009627 /nfs/dbraw/zinc/00/96/27/854009627.db2.gz FZKSBCDKQHJILA-ZFWWWQNUSA-N 2 2 389.284 3.967 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(OC(F)F)c(Br)c3)CC[C@@H]21 ZINC000539404292 854009636 /nfs/dbraw/zinc/00/96/36/854009636.db2.gz FZKSBCDKQHJILA-ZFWWWQNUSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(OC(F)F)c(Br)c3)CC[C@@H]21 ZINC000539404292 854009643 /nfs/dbraw/zinc/00/96/43/854009643.db2.gz FZKSBCDKQHJILA-ZFWWWQNUSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)c(Br)c3)CC[C@@H]21 ZINC000539404292 854009650 /nfs/dbraw/zinc/00/96/50/854009650.db2.gz FZKSBCDKQHJILA-ZFWWWQNUSA-N 2 2 389.284 3.967 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000604827648 862533312 /nfs/dbraw/zinc/53/33/12/862533312.db2.gz WEEZZVJCYIDNCY-HKUYNNGSSA-N 2 2 381.524 3.524 20 0 GHADLP C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000520380652 854150086 /nfs/dbraw/zinc/15/00/86/854150086.db2.gz FMWCDGAYGXTCSZ-KKSFZXQISA-N 2 2 385.939 3.506 20 0 GHADLP C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000520380652 854150089 /nfs/dbraw/zinc/15/00/89/854150089.db2.gz FMWCDGAYGXTCSZ-KKSFZXQISA-N 2 2 385.939 3.506 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000588691633 854362633 /nfs/dbraw/zinc/36/26/33/854362633.db2.gz PVHQJOROBKIPCC-HXUWFJFHSA-N 2 2 395.478 3.596 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000588691633 854362641 /nfs/dbraw/zinc/36/26/41/854362641.db2.gz PVHQJOROBKIPCC-HXUWFJFHSA-N 2 2 395.478 3.596 20 0 GHADLP C[C@]1(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)CC[NH2+]C1 ZINC000262085327 854491848 /nfs/dbraw/zinc/49/18/48/854491848.db2.gz UGIGYQFDOJNMNH-QAPCUYQASA-N 2 2 391.313 3.636 20 0 GHADLP C[C@]1(C[N@H+]2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)CC[NH2+]C1 ZINC000262085327 854491850 /nfs/dbraw/zinc/49/18/50/854491850.db2.gz UGIGYQFDOJNMNH-QAPCUYQASA-N 2 2 391.313 3.636 20 0 GHADLP C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000156956913 854535843 /nfs/dbraw/zinc/53/58/43/854535843.db2.gz QWPLBKHZBMKXKV-LJQANCHMSA-N 2 2 398.463 3.990 20 0 GHADLP C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000156956913 854535847 /nfs/dbraw/zinc/53/58/47/854535847.db2.gz QWPLBKHZBMKXKV-LJQANCHMSA-N 2 2 398.463 3.990 20 0 GHADLP C[NH+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000156956913 854535853 /nfs/dbraw/zinc/53/58/53/854535853.db2.gz QWPLBKHZBMKXKV-LJQANCHMSA-N 2 2 398.463 3.990 20 0 GHADLP C[NH+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000156956913 854535856 /nfs/dbraw/zinc/53/58/56/854535856.db2.gz QWPLBKHZBMKXKV-LJQANCHMSA-N 2 2 398.463 3.990 20 0 GHADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)s2)cc1 ZINC000765791451 854820325 /nfs/dbraw/zinc/82/03/25/854820325.db2.gz JFBLTUKADLMXHR-UCLAIMLFSA-N 2 2 387.549 3.641 20 0 GHADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)s2)cc1 ZINC000765791451 854820329 /nfs/dbraw/zinc/82/03/29/854820329.db2.gz JFBLTUKADLMXHR-UCLAIMLFSA-N 2 2 387.549 3.641 20 0 GHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765792923 854827171 /nfs/dbraw/zinc/82/71/71/854827171.db2.gz USUJBBCVJWADOY-KKXDTOCCSA-N 2 2 375.513 3.771 20 0 GHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000765792923 854827174 /nfs/dbraw/zinc/82/71/74/854827174.db2.gz USUJBBCVJWADOY-KKXDTOCCSA-N 2 2 375.513 3.771 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(SCC(F)F)cc1 ZINC000482033926 862627322 /nfs/dbraw/zinc/62/73/22/862627322.db2.gz QGFHAEIYENHQJD-YJBOKZPZSA-N 2 2 399.551 3.637 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(SCC(F)F)cc1 ZINC000482033926 862627328 /nfs/dbraw/zinc/62/73/28/862627328.db2.gz QGFHAEIYENHQJD-YJBOKZPZSA-N 2 2 399.551 3.637 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(SCC(F)F)cc1 ZINC000482033925 862627451 /nfs/dbraw/zinc/62/74/51/862627451.db2.gz QGFHAEIYENHQJD-QAPCUYQASA-N 2 2 399.551 3.637 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(SCC(F)F)cc1 ZINC000482033925 862627457 /nfs/dbraw/zinc/62/74/57/862627457.db2.gz QGFHAEIYENHQJD-QAPCUYQASA-N 2 2 399.551 3.637 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000590155505 855301555 /nfs/dbraw/zinc/30/15/55/855301555.db2.gz IUJSFMQKZPYHAB-WIYYLYMNSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000590155505 855301564 /nfs/dbraw/zinc/30/15/64/855301564.db2.gz IUJSFMQKZPYHAB-WIYYLYMNSA-N 2 2 395.551 3.873 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@]3(CO)C[C@H]3c3ccc(F)cc3)CC2)cc1 ZINC000760039796 855593507 /nfs/dbraw/zinc/59/35/07/855593507.db2.gz FTHAODUUJCXIDG-ZEQRLZLVSA-N 2 2 397.538 3.616 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000590851158 855613587 /nfs/dbraw/zinc/61/35/87/855613587.db2.gz GDBWLUNZVRLPKA-DENIHFKCSA-N 2 2 395.551 3.662 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000590851158 855613591 /nfs/dbraw/zinc/61/35/91/855613591.db2.gz GDBWLUNZVRLPKA-DENIHFKCSA-N 2 2 395.551 3.662 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083140 855752739 /nfs/dbraw/zinc/75/27/39/855752739.db2.gz PJMCWGKMSLXRFW-SIKLNZKXSA-N 2 2 388.515 3.814 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083140 855752742 /nfs/dbraw/zinc/75/27/42/855752742.db2.gz PJMCWGKMSLXRFW-SIKLNZKXSA-N 2 2 388.515 3.814 20 0 GHADLP Cc1ccc([C@H]2CCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000520129727 855832676 /nfs/dbraw/zinc/83/26/76/855832676.db2.gz MTUZVPDQBHHYKP-JOCHJYFZSA-N 2 2 392.547 3.574 20 0 GHADLP Cc1ccc([C@H]2CCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000520129727 855832687 /nfs/dbraw/zinc/83/26/87/855832687.db2.gz MTUZVPDQBHHYKP-JOCHJYFZSA-N 2 2 392.547 3.574 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000591429534 855974665 /nfs/dbraw/zinc/97/46/65/855974665.db2.gz IFWIJKFWKNCNFF-UWJYYQICSA-N 2 2 385.577 3.694 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000591429534 855974679 /nfs/dbraw/zinc/97/46/79/855974679.db2.gz IFWIJKFWKNCNFF-UWJYYQICSA-N 2 2 385.577 3.694 20 0 GHADLP COC(=O)C(C)(C)[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000591473481 856040413 /nfs/dbraw/zinc/04/04/13/856040413.db2.gz UKLOSUIGXQJCPS-JOCHJYFZSA-N 2 2 396.531 3.549 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000181100230 862750740 /nfs/dbraw/zinc/75/07/40/862750740.db2.gz BPHAHXAPVMRJQW-NRFANRHFSA-N 2 2 382.552 3.866 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000181100230 862750747 /nfs/dbraw/zinc/75/07/47/862750747.db2.gz BPHAHXAPVMRJQW-NRFANRHFSA-N 2 2 382.552 3.866 20 0 GHADLP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1NC1CC[NH+](CCOC)CC1 ZINC000303824860 856171305 /nfs/dbraw/zinc/17/13/05/856171305.db2.gz GGQKFIKOTDYMPD-UHFFFAOYSA-N 2 2 385.508 3.551 20 0 GHADLP CC(C)[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000605083061 862769349 /nfs/dbraw/zinc/76/93/49/862769349.db2.gz NUJPGXLSIXSSIT-HSZRJFAPSA-N 2 2 388.515 3.685 20 0 GHADLP CC(C)[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)[N@H+]1CCc2ccccc2C1 ZINC000605083061 862769357 /nfs/dbraw/zinc/76/93/57/862769357.db2.gz NUJPGXLSIXSSIT-HSZRJFAPSA-N 2 2 388.515 3.685 20 0 GHADLP Clc1ccc(I)c(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000405358060 856239921 /nfs/dbraw/zinc/23/99/21/856239921.db2.gz ABPPGPCEQYPPOV-UHFFFAOYSA-N 2 2 389.668 3.711 20 0 GHADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3csc(-c4ccc(Cl)cc4)n3)C2)CC1 ZINC000172348682 856468304 /nfs/dbraw/zinc/46/83/04/856468304.db2.gz RCQCCBAZGGOAKM-IBGZPJMESA-N 2 2 390.984 3.675 20 0 GHADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc(-c4ccc(Cl)cc4)n3)C2)CC1 ZINC000172348682 856468305 /nfs/dbraw/zinc/46/83/05/856468305.db2.gz RCQCCBAZGGOAKM-IBGZPJMESA-N 2 2 390.984 3.675 20 0 GHADLP C[C@@H](CC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC000573806309 856490582 /nfs/dbraw/zinc/49/05/82/856490582.db2.gz BJYMKHZEESAGHS-WMZHIEFXSA-N 2 2 394.563 3.983 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000507897134 856646226 /nfs/dbraw/zinc/64/62/26/856646226.db2.gz UJPYBDIHZZTZCZ-OFNKIYASSA-N 2 2 388.515 3.999 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000507897134 856646231 /nfs/dbraw/zinc/64/62/31/856646231.db2.gz UJPYBDIHZZTZCZ-OFNKIYASSA-N 2 2 388.515 3.999 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000665254251 857055621 /nfs/dbraw/zinc/05/56/21/857055621.db2.gz LBZKATWOTZVXKU-FIKMYACPSA-N 2 2 381.495 3.852 20 0 GHADLP CC(C)C[C@H](CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000675196544 857080416 /nfs/dbraw/zinc/08/04/16/857080416.db2.gz CCCJWDSFJRWXCE-NNWRFLSQSA-N 2 2 397.567 3.995 20 0 GHADLP CCC[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CCCCC1 ZINC000465943841 857165335 /nfs/dbraw/zinc/16/53/35/857165335.db2.gz WBKUEGAIOYZUCL-NRFANRHFSA-N 2 2 392.632 3.985 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCC[NH+]3C3CCCC3)n2)C1 ZINC000485885972 857192899 /nfs/dbraw/zinc/19/28/99/857192899.db2.gz YXVNUIOVPZKZLZ-CRAIPNDOSA-N 2 2 376.570 3.721 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCC[NH+]3C3CCCC3)n2)C1 ZINC000485885972 857192905 /nfs/dbraw/zinc/19/29/05/857192905.db2.gz YXVNUIOVPZKZLZ-CRAIPNDOSA-N 2 2 376.570 3.721 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)n2)C1 ZINC000485885972 857192909 /nfs/dbraw/zinc/19/29/09/857192909.db2.gz YXVNUIOVPZKZLZ-CRAIPNDOSA-N 2 2 376.570 3.721 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)n2)C1 ZINC000485885972 857192912 /nfs/dbraw/zinc/19/29/12/857192912.db2.gz YXVNUIOVPZKZLZ-CRAIPNDOSA-N 2 2 376.570 3.721 20 0 GHADLP O[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000766127966 857342941 /nfs/dbraw/zinc/34/29/41/857342941.db2.gz GVGWVTUSTJPWRH-AJSBUHFISA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000766127966 857342948 /nfs/dbraw/zinc/34/29/48/857342948.db2.gz GVGWVTUSTJPWRH-AJSBUHFISA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000766127966 857342957 /nfs/dbraw/zinc/34/29/57/857342957.db2.gz GVGWVTUSTJPWRH-AJSBUHFISA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000766127966 857342967 /nfs/dbraw/zinc/34/29/67/857342967.db2.gz GVGWVTUSTJPWRH-AJSBUHFISA-N 2 2 386.486 3.985 20 0 GHADLP Cc1cn2cc(NC(=O)N3C[C@@H](C)[N@@H+](Cc4ccccc4)C[C@@H]3C)ccc2[nH+]1 ZINC000499580765 857575433 /nfs/dbraw/zinc/57/54/33/857575433.db2.gz WGJRRYDKFLZGIZ-MSOLQXFVSA-N 2 2 377.492 3.769 20 0 GHADLP Cc1cn2cc(NC(=O)N3C[C@@H](C)[N@H+](Cc4ccccc4)C[C@@H]3C)ccc2[nH+]1 ZINC000499580765 857575445 /nfs/dbraw/zinc/57/54/45/857575445.db2.gz WGJRRYDKFLZGIZ-MSOLQXFVSA-N 2 2 377.492 3.769 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000442247785 857652806 /nfs/dbraw/zinc/65/28/06/857652806.db2.gz FIVLTZVLQUZOGV-RBBKRZOGSA-N 2 2 397.567 3.757 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c(C)c1 ZINC000442247785 857652811 /nfs/dbraw/zinc/65/28/11/857652811.db2.gz FIVLTZVLQUZOGV-RBBKRZOGSA-N 2 2 397.567 3.757 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccc(F)cc2O1 ZINC000675898002 857654667 /nfs/dbraw/zinc/65/46/67/857654667.db2.gz CEPZJXJZMCBAQI-REWPJTCUSA-N 2 2 384.495 3.655 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccc(F)cc2O1 ZINC000675898002 857654672 /nfs/dbraw/zinc/65/46/72/857654672.db2.gz CEPZJXJZMCBAQI-REWPJTCUSA-N 2 2 384.495 3.655 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)c1ccccc1 ZINC000675924373 857667772 /nfs/dbraw/zinc/66/77/72/857667772.db2.gz YARRSWWLLDLTQL-HXUWFJFHSA-N 2 2 382.552 3.721 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccccc2c1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000065227775 857782865 /nfs/dbraw/zinc/78/28/65/857782865.db2.gz RFNBIYQFQHHTGE-UHFFFAOYSA-N 2 2 390.487 3.883 20 0 GHADLP C[N@H+](CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442752699 858111260 /nfs/dbraw/zinc/11/12/60/858111260.db2.gz FHIYEXPKJDYYKV-MXHMCPQYSA-N 2 2 397.950 3.760 20 0 GHADLP C[N@@H+](CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442752699 858111263 /nfs/dbraw/zinc/11/12/63/858111263.db2.gz FHIYEXPKJDYYKV-MXHMCPQYSA-N 2 2 397.950 3.760 20 0 GHADLP C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000543080831 858233958 /nfs/dbraw/zinc/23/39/58/858233958.db2.gz HVAMENFKXXKAOU-TZIWHRDSSA-N 2 2 384.593 3.608 20 0 GHADLP C[C@H](Cc1ccsc1)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000543080831 858233972 /nfs/dbraw/zinc/23/39/72/858233972.db2.gz HVAMENFKXXKAOU-TZIWHRDSSA-N 2 2 384.593 3.608 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)C(C)(C)c1ccccc1 ZINC000181772061 863007813 /nfs/dbraw/zinc/00/78/13/863007813.db2.gz WXDKHCQIBLXBBV-INIZCTEOSA-N 2 2 386.565 3.633 20 0 GHADLP C[C@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C[C@@H]1n1cc[nH+]c1 ZINC000443067696 858336471 /nfs/dbraw/zinc/33/64/71/858336471.db2.gz UNDLBYLVDZOMFS-AYEXWZOKSA-N 2 2 392.547 3.595 20 0 GHADLP C[C@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C[C@@H]1n1cc[nH+]c1 ZINC000443067696 858336476 /nfs/dbraw/zinc/33/64/76/858336476.db2.gz UNDLBYLVDZOMFS-AYEXWZOKSA-N 2 2 392.547 3.595 20 0 GHADLP Ic1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CC2 ZINC000595018590 858351777 /nfs/dbraw/zinc/35/17/77/858351777.db2.gz SOGGUSGPYSPRPW-MRXNPFEDSA-N 2 2 381.261 3.545 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(-c2ccccc2F)s1 ZINC000482644647 858719134 /nfs/dbraw/zinc/71/91/34/858719134.db2.gz DUMFGZUMCFGYEJ-PBHICJAKSA-N 2 2 375.513 3.545 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(-c2ccccc2F)s1 ZINC000482644647 858719139 /nfs/dbraw/zinc/71/91/39/858719139.db2.gz DUMFGZUMCFGYEJ-PBHICJAKSA-N 2 2 375.513 3.545 20 0 GHADLP Cn1ccc([C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c2ccc(Cl)cc2)n1 ZINC000543601524 858928382 /nfs/dbraw/zinc/92/83/82/858928382.db2.gz LNTZLSGGZVBZIP-QFIPXVFZSA-N 2 2 398.938 3.893 20 0 GHADLP c1cc(C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668166957 858987266 /nfs/dbraw/zinc/98/72/66/858987266.db2.gz NOVWMKRQWWRHTJ-SFHVURJKSA-N 2 2 391.523 3.813 20 0 GHADLP c1cc(C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668166957 858987276 /nfs/dbraw/zinc/98/72/76/858987276.db2.gz NOVWMKRQWWRHTJ-SFHVURJKSA-N 2 2 391.523 3.813 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543238123 858989659 /nfs/dbraw/zinc/98/96/59/858989659.db2.gz FCRMMJQXODCNTF-NQIIRXRSSA-N 3 2 375.520 3.576 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543238123 858989667 /nfs/dbraw/zinc/98/96/67/858989667.db2.gz FCRMMJQXODCNTF-NQIIRXRSSA-N 3 2 375.520 3.576 20 0 GHADLP COc1ccc([C@H]2CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000509309442 859009453 /nfs/dbraw/zinc/00/94/53/859009453.db2.gz DWFBKHCRSIVMHS-QFIPXVFZSA-N 2 2 379.548 3.697 20 0 GHADLP COc1ccc([C@H]2CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000509309442 859009454 /nfs/dbraw/zinc/00/94/54/859009454.db2.gz DWFBKHCRSIVMHS-QFIPXVFZSA-N 2 2 379.548 3.697 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(F)cccc3Cl)C2)ccn1 ZINC000856553912 881384532 /nfs/dbraw/zinc/38/45/32/881384532.db2.gz DYFPMDOYQMJDNT-KRWDZBQOSA-N 2 2 377.891 3.979 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(F)cccc3Cl)C2)ccn1 ZINC000856553912 881384551 /nfs/dbraw/zinc/38/45/51/881384551.db2.gz DYFPMDOYQMJDNT-KRWDZBQOSA-N 2 2 377.891 3.979 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3c(F)cccc3Cl)C2)ccn1 ZINC000856553912 881384570 /nfs/dbraw/zinc/38/45/70/881384570.db2.gz DYFPMDOYQMJDNT-KRWDZBQOSA-N 2 2 377.891 3.979 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3c(F)cccc3Cl)C2)ccn1 ZINC000856553912 881384586 /nfs/dbraw/zinc/38/45/86/881384586.db2.gz DYFPMDOYQMJDNT-KRWDZBQOSA-N 2 2 377.891 3.979 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3occc3Br)C2)ccn1 ZINC000856554205 881389794 /nfs/dbraw/zinc/38/97/94/881389794.db2.gz QDOSMGWAPXHHOY-INIZCTEOSA-N 2 2 394.313 3.542 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3occc3Br)C2)ccn1 ZINC000856554205 881389808 /nfs/dbraw/zinc/38/98/08/881389808.db2.gz QDOSMGWAPXHHOY-INIZCTEOSA-N 2 2 394.313 3.542 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3occc3Br)C2)ccn1 ZINC000856554205 881389820 /nfs/dbraw/zinc/38/98/20/881389820.db2.gz QDOSMGWAPXHHOY-INIZCTEOSA-N 2 2 394.313 3.542 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3occc3Br)C2)ccn1 ZINC000856554205 881389839 /nfs/dbraw/zinc/38/98/39/881389839.db2.gz QDOSMGWAPXHHOY-INIZCTEOSA-N 2 2 394.313 3.542 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]1 ZINC000483165949 859198860 /nfs/dbraw/zinc/19/88/60/859198860.db2.gz FBXUMPRGVQOFDG-AUSIDOKSSA-N 3 2 378.564 3.859 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]1 ZINC000483165949 859198861 /nfs/dbraw/zinc/19/88/61/859198861.db2.gz FBXUMPRGVQOFDG-AUSIDOKSSA-N 3 2 378.564 3.859 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)n1 ZINC000483165949 859198862 /nfs/dbraw/zinc/19/88/62/859198862.db2.gz FBXUMPRGVQOFDG-AUSIDOKSSA-N 2 2 378.564 3.859 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)n1 ZINC000483165949 859198863 /nfs/dbraw/zinc/19/88/63/859198863.db2.gz FBXUMPRGVQOFDG-AUSIDOKSSA-N 2 2 378.564 3.859 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3occc3Br)C2)ccn1 ZINC000856554257 881393729 /nfs/dbraw/zinc/39/37/29/881393729.db2.gz QDOSMGWAPXHHOY-MRXNPFEDSA-N 2 2 394.313 3.542 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3occc3Br)C2)ccn1 ZINC000856554257 881393805 /nfs/dbraw/zinc/39/38/05/881393805.db2.gz QDOSMGWAPXHHOY-MRXNPFEDSA-N 2 2 394.313 3.542 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3occc3Br)C2)ccn1 ZINC000856554257 881393872 /nfs/dbraw/zinc/39/38/72/881393872.db2.gz QDOSMGWAPXHHOY-MRXNPFEDSA-N 2 2 394.313 3.542 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3occc3Br)C2)ccn1 ZINC000856554257 881393914 /nfs/dbraw/zinc/39/39/14/881393914.db2.gz QDOSMGWAPXHHOY-MRXNPFEDSA-N 2 2 394.313 3.542 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]3CC3CCCCC3)CC2)CC1 ZINC000051761188 859313829 /nfs/dbraw/zinc/31/38/29/859313829.db2.gz TUORRQXWABQUKT-JOCHJYFZSA-N 2 2 390.616 3.689 20 0 GHADLP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429427578 859349787 /nfs/dbraw/zinc/34/97/87/859349787.db2.gz PDHOKPBQBHTACE-RBBKRZOGSA-N 2 2 384.495 3.920 20 0 GHADLP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429427578 859349792 /nfs/dbraw/zinc/34/97/92/859349792.db2.gz PDHOKPBQBHTACE-RBBKRZOGSA-N 2 2 384.495 3.920 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c(F)c1 ZINC000597223325 859375071 /nfs/dbraw/zinc/37/50/71/859375071.db2.gz VGCCOXJNJAHMSQ-UHFFFAOYSA-N 2 2 388.458 3.548 20 0 GHADLP O=[S@](CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483511948 859425757 /nfs/dbraw/zinc/42/57/57/859425757.db2.gz KLDOBBZQMYSNAD-WHCXKFMVSA-N 2 2 382.573 3.781 20 0 GHADLP O=[S@](CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483511948 859425758 /nfs/dbraw/zinc/42/57/58/859425758.db2.gz KLDOBBZQMYSNAD-WHCXKFMVSA-N 2 2 382.573 3.781 20 0 GHADLP O=[S@](CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483511948 859425761 /nfs/dbraw/zinc/42/57/61/859425761.db2.gz KLDOBBZQMYSNAD-WHCXKFMVSA-N 2 2 382.573 3.781 20 0 GHADLP O=[S@](CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483511948 859425763 /nfs/dbraw/zinc/42/57/63/859425763.db2.gz KLDOBBZQMYSNAD-WHCXKFMVSA-N 2 2 382.573 3.781 20 0 GHADLP C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117769941 859616109 /nfs/dbraw/zinc/61/61/09/859616109.db2.gz YDXLBFBVHSDEJN-UHFFFAOYSA-N 2 2 376.504 3.509 20 0 GHADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CCCO2 ZINC000484128279 859818717 /nfs/dbraw/zinc/81/87/17/859818717.db2.gz JOHUGQMUSUCWAU-ISKFKSNPSA-N 2 2 380.532 3.744 20 0 GHADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CCCO2 ZINC000484128279 859818725 /nfs/dbraw/zinc/81/87/25/859818725.db2.gz JOHUGQMUSUCWAU-ISKFKSNPSA-N 2 2 380.532 3.744 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1OC(F)F ZINC000484139279 859826919 /nfs/dbraw/zinc/82/69/19/859826919.db2.gz DXMFRIOHWGGOPO-XKGZKEIXSA-N 2 2 390.474 3.822 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1OC(F)F ZINC000484139279 859826925 /nfs/dbraw/zinc/82/69/25/859826925.db2.gz DXMFRIOHWGGOPO-XKGZKEIXSA-N 2 2 390.474 3.822 20 0 GHADLP C[C@@H]1C[C@H](c2ccccc2)[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000513261772 859876047 /nfs/dbraw/zinc/87/60/47/859876047.db2.gz PBFBMIIRLKEJBB-AUSIDOKSSA-N 2 2 393.531 3.540 20 0 GHADLP C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000513261772 859876058 /nfs/dbraw/zinc/87/60/58/859876058.db2.gz PBFBMIIRLKEJBB-AUSIDOKSSA-N 2 2 393.531 3.540 20 0 GHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000765363730 859928999 /nfs/dbraw/zinc/92/89/99/859928999.db2.gz LXUDTYNQJVGCIU-QAPCUYQASA-N 2 2 376.545 3.550 20 0 GHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000765363730 859929002 /nfs/dbraw/zinc/92/90/02/859929002.db2.gz LXUDTYNQJVGCIU-QAPCUYQASA-N 2 2 376.545 3.550 20 0 GHADLP C[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)N1CCc2ccccc21 ZINC000765376768 859935828 /nfs/dbraw/zinc/93/58/28/859935828.db2.gz OOSIBRZPLXRDRQ-LJQANCHMSA-N 2 2 378.564 3.762 20 0 GHADLP CC[NH+](CC)[C@H](CN[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccco1 ZINC000765441496 859976931 /nfs/dbraw/zinc/97/69/31/859976931.db2.gz LTFHNLBEKPIZKW-LSWJPFSZSA-N 2 2 385.552 3.542 20 0 GHADLP CC[NH+](CC)[C@H](CN[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccco1 ZINC000765441496 859976933 /nfs/dbraw/zinc/97/69/33/859976933.db2.gz LTFHNLBEKPIZKW-LSWJPFSZSA-N 2 2 385.552 3.542 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@H]32)cc1 ZINC000765544012 860120324 /nfs/dbraw/zinc/12/03/24/860120324.db2.gz DMFOHORQWQEXKH-NHCUHLMSSA-N 2 2 377.536 3.568 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@H]32)cc1 ZINC000765544012 860120328 /nfs/dbraw/zinc/12/03/28/860120328.db2.gz DMFOHORQWQEXKH-NHCUHLMSSA-N 2 2 377.536 3.568 20 0 GHADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3c3cccs3)CC2)c1 ZINC000057598304 860209421 /nfs/dbraw/zinc/20/94/21/860209421.db2.gz SZVVUFAPSXJQRX-HXUWFJFHSA-N 2 2 383.561 3.538 20 0 GHADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@@H]3c3cccs3)CC2)c1 ZINC000057598304 860209429 /nfs/dbraw/zinc/20/94/29/860209429.db2.gz SZVVUFAPSXJQRX-HXUWFJFHSA-N 2 2 383.561 3.538 20 0 GHADLP Clc1cccc2c1C[C@@H]([NH+]1CCC3(CC1)C[N@H+](Cc1ccoc1)CCO3)C2 ZINC001168729196 860268537 /nfs/dbraw/zinc/26/85/37/860268537.db2.gz WXYILQUALQQDBI-IBGZPJMESA-N 2 2 386.923 3.767 20 0 GHADLP Clc1cccc2c1C[C@@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccoc1)CCO3)C2 ZINC001168729196 860268549 /nfs/dbraw/zinc/26/85/49/860268549.db2.gz WXYILQUALQQDBI-IBGZPJMESA-N 2 2 386.923 3.767 20 0 GHADLP Clc1cccc2c1C[C@H](N(c1cccc[nH+]1)[C@@H]1COC3(C1)CC[NH2+]CC3)C2 ZINC001168730590 860335378 /nfs/dbraw/zinc/33/53/78/860335378.db2.gz JYWJHPWUJOXUEN-MSOLQXFVSA-N 2 2 383.923 3.620 20 0 GHADLP Clc1cccc2c1C[C@@H](N(c1cccc[nH+]1)[C@H]1COC3(C1)CC[NH2+]CC3)C2 ZINC001168730593 860335554 /nfs/dbraw/zinc/33/55/54/860335554.db2.gz JYWJHPWUJOXUEN-ZWKOTPCHSA-N 2 2 383.923 3.620 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](CC3CC3)CC3CCC3)n2)CC1 ZINC000428942012 860458801 /nfs/dbraw/zinc/45/88/01/860458801.db2.gz XXTWQCYHYATRNM-UHFFFAOYSA-N 2 2 390.597 3.826 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](CC3CC3)CC3CCC3)n2)CC1 ZINC000428942012 860458808 /nfs/dbraw/zinc/45/88/08/860458808.db2.gz XXTWQCYHYATRNM-UHFFFAOYSA-N 2 2 390.597 3.826 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000904640605 860540497 /nfs/dbraw/zinc/54/04/97/860540497.db2.gz PSHVNVBXHAOMEP-IEBWSBKVSA-N 2 2 392.425 3.520 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000904640605 860540501 /nfs/dbraw/zinc/54/05/01/860540501.db2.gz PSHVNVBXHAOMEP-IEBWSBKVSA-N 2 2 392.425 3.520 20 0 GHADLP CCCc1nc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cs1 ZINC000856599750 881575296 /nfs/dbraw/zinc/57/52/96/881575296.db2.gz RZXDFIVAQIABGK-HXUWFJFHSA-N 2 2 388.581 3.984 20 0 GHADLP CCCc1nc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cs1 ZINC000856599750 881575298 /nfs/dbraw/zinc/57/52/98/881575298.db2.gz RZXDFIVAQIABGK-HXUWFJFHSA-N 2 2 388.581 3.984 20 0 GHADLP CCCc1nc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cs1 ZINC000856599750 881575305 /nfs/dbraw/zinc/57/53/05/881575305.db2.gz RZXDFIVAQIABGK-HXUWFJFHSA-N 2 2 388.581 3.984 20 0 GHADLP CCCc1nc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cs1 ZINC000856599750 881575314 /nfs/dbraw/zinc/57/53/14/881575314.db2.gz RZXDFIVAQIABGK-HXUWFJFHSA-N 2 2 388.581 3.984 20 0 GHADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623358232 860916648 /nfs/dbraw/zinc/91/66/48/860916648.db2.gz UYVIDQGRTQDWSS-MSOLQXFVSA-N 2 2 397.485 3.831 20 0 GHADLP C[N@H+]1CC[C@@H]([NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623358232 860916661 /nfs/dbraw/zinc/91/66/61/860916661.db2.gz UYVIDQGRTQDWSS-MSOLQXFVSA-N 2 2 397.485 3.831 20 0 GHADLP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000120492175 881604402 /nfs/dbraw/zinc/60/44/02/881604402.db2.gz CJJQNGKPZQYTAD-LEWJYISDSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000120492175 881604410 /nfs/dbraw/zinc/60/44/10/881604410.db2.gz CJJQNGKPZQYTAD-LEWJYISDSA-N 2 2 390.547 3.935 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000600142820 861114614 /nfs/dbraw/zinc/11/46/14/861114614.db2.gz QHCBPXMQZBBIJB-OEWRPIJISA-N 2 2 381.520 3.505 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000600142820 861114625 /nfs/dbraw/zinc/11/46/25/861114625.db2.gz QHCBPXMQZBBIJB-OEWRPIJISA-N 2 2 381.520 3.505 20 0 GHADLP CC[N@@H+](Cc1ccncc1Br)CC1CCN(c2cccc[nH+]2)CC1 ZINC000625198206 861147705 /nfs/dbraw/zinc/14/77/05/861147705.db2.gz REVYHKFMXGMGSQ-UHFFFAOYSA-N 2 2 389.341 3.978 20 0 GHADLP CC[N@H+](Cc1ccncc1Br)CC1CCN(c2cccc[nH+]2)CC1 ZINC000625198206 861147718 /nfs/dbraw/zinc/14/77/18/861147718.db2.gz REVYHKFMXGMGSQ-UHFFFAOYSA-N 2 2 389.341 3.978 20 0 GHADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120655949 881657439 /nfs/dbraw/zinc/65/74/39/881657439.db2.gz HDPHCYBALGFFKY-CVDCTZTESA-N 2 2 376.504 3.596 20 0 GHADLP C[C@H]1C[C@H](CCNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC(C)(C)C1 ZINC000444102615 863423101 /nfs/dbraw/zinc/42/31/01/863423101.db2.gz FXKUGVFJZKAFGU-OALUTQOASA-N 2 2 392.632 3.697 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)c1cccc(OC)c1 ZINC000606583084 863732288 /nfs/dbraw/zinc/73/22/88/863732288.db2.gz OIZVTRFYLBGNMY-LJQANCHMSA-N 2 2 381.480 3.548 20 0 GHADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000158531587 863865927 /nfs/dbraw/zinc/86/59/27/863865927.db2.gz OQFDZYMDADLHMX-AWEZNQCLSA-N 2 2 379.335 3.991 20 0 GHADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000158563989 863874539 /nfs/dbraw/zinc/87/45/39/863874539.db2.gz JAGAWQFUMKAHMJ-IRFCIJBXSA-N 2 2 392.609 3.790 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccnn1CCc1ccccc1)c1ccccc1 ZINC000621338668 864092429 /nfs/dbraw/zinc/09/24/29/864092429.db2.gz HRTHOECVPJDUBI-HSZRJFAPSA-N 2 2 385.515 3.933 20 0 GHADLP CCCCC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000734273885 864111405 /nfs/dbraw/zinc/11/14/05/864111405.db2.gz DAVPUNHWZXEXJC-IRLDBZIGSA-N 2 2 386.584 3.776 20 0 GHADLP CCCCC[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000734273885 864111410 /nfs/dbraw/zinc/11/14/10/864111410.db2.gz DAVPUNHWZXEXJC-IRLDBZIGSA-N 2 2 386.584 3.776 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000607284968 864241981 /nfs/dbraw/zinc/24/19/81/864241981.db2.gz XTWSOZZAFFWMPV-JOCHJYFZSA-N 2 2 392.478 3.682 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000607284968 864241995 /nfs/dbraw/zinc/24/19/95/864241995.db2.gz XTWSOZZAFFWMPV-JOCHJYFZSA-N 2 2 392.478 3.682 20 0 GHADLP CCOc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc(Br)c1OC ZINC000475128808 864248013 /nfs/dbraw/zinc/24/80/13/864248013.db2.gz KALUZBYELPIPOW-UHFFFAOYSA-N 2 2 397.357 3.917 20 0 GHADLP CCOc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc(Br)c1OC ZINC000475128808 864248022 /nfs/dbraw/zinc/24/80/22/864248022.db2.gz KALUZBYELPIPOW-UHFFFAOYSA-N 2 2 397.357 3.917 20 0 GHADLP C[C@H]1CC([NH+]2CCN(c3ccc(Cl)nn3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056899 864358104 /nfs/dbraw/zinc/35/81/04/864358104.db2.gz JOJYKXPNTJVBPI-ROUUACIJSA-N 2 2 399.970 3.694 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)s1 ZINC000475200680 864565111 /nfs/dbraw/zinc/56/51/11/864565111.db2.gz DSUVRAIEDBQRSU-NVXWUHKLSA-N 2 2 384.611 3.674 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000622071950 864740627 /nfs/dbraw/zinc/74/06/27/864740627.db2.gz VZJIRWIFZHTSGU-OAQYLSRUSA-N 2 2 398.551 3.932 20 0 GHADLP COCCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000167251747 864774142 /nfs/dbraw/zinc/77/41/42/864774142.db2.gz GECDNFDOQCZEQL-REWPJTCUSA-N 2 2 397.563 3.806 20 0 GHADLP COCCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000167251747 864774155 /nfs/dbraw/zinc/77/41/55/864774155.db2.gz GECDNFDOQCZEQL-REWPJTCUSA-N 2 2 397.563 3.806 20 0 GHADLP C[C@H]([NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000554720666 864794594 /nfs/dbraw/zinc/79/45/94/864794594.db2.gz UGCVIOXCQULQOZ-UGKGYDQZSA-N 2 2 388.515 3.757 20 0 GHADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000480562190 864868697 /nfs/dbraw/zinc/86/86/97/864868697.db2.gz YYHFCNMNHISUAP-HXUWFJFHSA-N 2 2 383.511 3.963 20 0 GHADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000480562190 864868712 /nfs/dbraw/zinc/86/87/12/864868712.db2.gz YYHFCNMNHISUAP-HXUWFJFHSA-N 2 2 383.511 3.963 20 0 GHADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000480562190 864868724 /nfs/dbraw/zinc/86/87/24/864868724.db2.gz YYHFCNMNHISUAP-HXUWFJFHSA-N 2 2 383.511 3.963 20 0 GHADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000480562190 864868741 /nfs/dbraw/zinc/86/87/41/864868741.db2.gz YYHFCNMNHISUAP-HXUWFJFHSA-N 2 2 383.511 3.963 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC(NC(=O)C(F)(F)F)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168062683 864891948 /nfs/dbraw/zinc/89/19/48/864891948.db2.gz LOMUNSNFHIKEEW-HGKCTWBKSA-N 2 2 397.485 3.571 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC(NC(=O)C(F)(F)F)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168062683 864891965 /nfs/dbraw/zinc/89/19/65/864891965.db2.gz LOMUNSNFHIKEEW-HGKCTWBKSA-N 2 2 397.485 3.571 20 0 GHADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(C2CCCCC2)cc1 ZINC000168930465 865017739 /nfs/dbraw/zinc/01/77/39/865017739.db2.gz KGNVWVNHEYKYOJ-OAQYLSRUSA-N 2 2 387.612 3.775 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000667735467 865138688 /nfs/dbraw/zinc/13/86/88/865138688.db2.gz UOIDNOFAFKGWNF-MSOLQXFVSA-N 2 2 376.863 3.505 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000667735467 865138697 /nfs/dbraw/zinc/13/86/97/865138697.db2.gz UOIDNOFAFKGWNF-MSOLQXFVSA-N 2 2 376.863 3.505 20 0 GHADLP Brc1cccc2c(N3CC[NH+](CC4CCOCC4)CC3)cc[nH+]c12 ZINC000301253278 865247454 /nfs/dbraw/zinc/24/74/54/865247454.db2.gz CDRDFKQHEWGPHC-UHFFFAOYSA-N 2 2 390.325 3.546 20 0 GHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc3ccccc3C1)CCCO2 ZINC000480817103 865340542 /nfs/dbraw/zinc/34/05/42/865340542.db2.gz KHLNQKFRRZSRHC-GGAORHGYSA-N 2 2 380.532 3.526 20 0 GHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc3ccccc3C1)CCCO2 ZINC000480817103 865340556 /nfs/dbraw/zinc/34/05/56/865340556.db2.gz KHLNQKFRRZSRHC-GGAORHGYSA-N 2 2 380.532 3.526 20 0 GHADLP C[NH+](C)CCOC1CC[NH+](Cn2cc(-c3ccc(F)cc3)oc2=S)CC1 ZINC000738210157 865503575 /nfs/dbraw/zinc/50/35/75/865503575.db2.gz PDKJKOJIVAEJAN-UHFFFAOYSA-N 2 2 379.501 3.617 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1Cl ZINC000173857254 865849856 /nfs/dbraw/zinc/84/98/56/865849856.db2.gz GATCABJLNKWJJB-AWEZNQCLSA-N 2 2 379.335 3.991 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(C)Cc1ccccc1 ZINC000481189549 865968714 /nfs/dbraw/zinc/96/87/14/865968714.db2.gz KFJVYRLYJAYCQP-QTEQDKRBSA-N 2 2 379.548 3.534 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(C)Cc1ccccc1 ZINC000481189549 865968726 /nfs/dbraw/zinc/96/87/26/865968726.db2.gz KFJVYRLYJAYCQP-QTEQDKRBSA-N 2 2 379.548 3.534 20 0 GHADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000151898761 866009028 /nfs/dbraw/zinc/00/90/28/866009028.db2.gz UKVRARJAEUCKCK-RTBURBONSA-N 2 2 399.539 3.612 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCC2 ZINC000481198701 866021449 /nfs/dbraw/zinc/02/14/49/866021449.db2.gz BYDJBOFQPKUCFG-QHCPKHFHSA-N 2 2 396.531 3.573 20 0 GHADLP CCOc1c(Br)cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1OC ZINC000475581362 866421184 /nfs/dbraw/zinc/42/11/84/866421184.db2.gz OQXDDVUAVKELGX-UHFFFAOYSA-N 2 2 397.357 3.963 20 0 GHADLP Cc1cccc(CCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534360650 866647778 /nfs/dbraw/zinc/64/77/78/866647778.db2.gz OSKHOKZVVBXEPD-GOTSBHOMSA-N 2 2 385.596 3.723 20 0 GHADLP Cc1cccc(CCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534360650 866647786 /nfs/dbraw/zinc/64/77/86/866647786.db2.gz OSKHOKZVVBXEPD-GOTSBHOMSA-N 2 2 385.596 3.723 20 0 GHADLP CCCC1(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000534385541 866660131 /nfs/dbraw/zinc/66/01/31/866660131.db2.gz WJVJUUSADNNLIT-RTWAWAEBSA-N 2 2 392.632 3.935 20 0 GHADLP CCCC1(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000534385541 866660137 /nfs/dbraw/zinc/66/01/37/866660137.db2.gz WJVJUUSADNNLIT-RTWAWAEBSA-N 2 2 392.632 3.935 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+](C)C)cc1 ZINC000553060450 866720977 /nfs/dbraw/zinc/72/09/77/866720977.db2.gz CGTGPEABFFXBMF-LEWJYISDSA-N 2 2 376.504 3.659 20 0 GHADLP Cc1c(Cl)cccc1NC(=S)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000741875928 866873297 /nfs/dbraw/zinc/87/32/97/866873297.db2.gz NIBQBXKXUXELDW-UHFFFAOYSA-N 2 2 395.016 3.885 20 0 GHADLP C[C@]1(CNC2CC[NH+](Cc3ccncc3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000152978920 866897362 /nfs/dbraw/zinc/89/73/62/866897362.db2.gz XPRLZJZAWHUHCI-XMMPIXPASA-N 2 2 378.564 3.690 20 0 GHADLP C[C@]1(CNC2CC[NH+](Cc3ccncc3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000152978920 866897380 /nfs/dbraw/zinc/89/73/80/866897380.db2.gz XPRLZJZAWHUHCI-XMMPIXPASA-N 2 2 378.564 3.690 20 0 GHADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000121480336 866957885 /nfs/dbraw/zinc/95/78/85/866957885.db2.gz LUZMHUKIRVPRTH-HSZRJFAPSA-N 2 2 393.531 3.512 20 0 GHADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000121480336 866957901 /nfs/dbraw/zinc/95/79/01/866957901.db2.gz LUZMHUKIRVPRTH-HSZRJFAPSA-N 2 2 393.531 3.512 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153674536 867017666 /nfs/dbraw/zinc/01/76/66/867017666.db2.gz VFBRRSMVEJZXKV-VQIMIIECSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153674536 867017678 /nfs/dbraw/zinc/01/76/78/867017678.db2.gz VFBRRSMVEJZXKV-VQIMIIECSA-N 2 2 377.960 3.684 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000456701047 867032369 /nfs/dbraw/zinc/03/23/69/867032369.db2.gz UZCGVYUZRBIIBR-UHFFFAOYSA-N 2 2 382.552 3.904 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000620754067 867263800 /nfs/dbraw/zinc/26/38/00/867263800.db2.gz TURNAXFMMGNBRV-QZTJIDSGSA-N 2 2 397.357 3.581 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000620754067 867263811 /nfs/dbraw/zinc/26/38/11/867263811.db2.gz TURNAXFMMGNBRV-QZTJIDSGSA-N 2 2 397.357 3.581 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000523444449 867325452 /nfs/dbraw/zinc/32/54/52/867325452.db2.gz ZWLWHUFIPQGDAP-NFBKMPQASA-N 2 2 383.580 3.764 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000523444449 867325463 /nfs/dbraw/zinc/32/54/63/867325463.db2.gz ZWLWHUFIPQGDAP-NFBKMPQASA-N 2 2 383.580 3.764 20 0 GHADLP C[NH+](C)CCNC(=O)c1cccc(CNc2cc[nH+]c3c(Cl)cccc23)c1 ZINC000553384419 867336636 /nfs/dbraw/zinc/33/66/36/867336636.db2.gz QNJBNHHBWNQRJT-UHFFFAOYSA-N 2 2 382.895 3.792 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000479284736 867482273 /nfs/dbraw/zinc/48/22/73/867482273.db2.gz QDMHLEMPYAWMPY-OAHLLOKOSA-N 2 2 383.374 3.859 20 0 GHADLP c1ccc2c(c1)CCSC[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155178891 867787840 /nfs/dbraw/zinc/78/78/40/867787840.db2.gz CBNLCHAYUBDTQO-QHCPKHFHSA-N 2 2 398.572 3.518 20 0 GHADLP C[NH+]1CCC([N@H+](CCO)Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000155510885 867926721 /nfs/dbraw/zinc/92/67/21/867926721.db2.gz SUCWBSDJRXSSMN-UHFFFAOYSA-N 2 2 388.939 3.808 20 0 GHADLP C[NH+]1CCC([N@@H+](CCO)Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000155510885 867926738 /nfs/dbraw/zinc/92/67/38/867926738.db2.gz SUCWBSDJRXSSMN-UHFFFAOYSA-N 2 2 388.939 3.808 20 0 GHADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cn(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000475623258 867932523 /nfs/dbraw/zinc/93/25/23/867932523.db2.gz KBSLMXOAIHUOLM-UHFFFAOYSA-N 2 2 397.910 3.560 20 0 GHADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000479830968 868577837 /nfs/dbraw/zinc/57/78/37/868577837.db2.gz PSESJSFWUVGWFT-IAGOWNOFSA-N 2 2 393.601 3.761 20 0 GHADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000479830968 868577845 /nfs/dbraw/zinc/57/78/45/868577845.db2.gz PSESJSFWUVGWFT-IAGOWNOFSA-N 2 2 393.601 3.761 20 0 GHADLP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000158446447 868949682 /nfs/dbraw/zinc/94/96/82/868949682.db2.gz UBEURNFREJBYQX-IBGZPJMESA-N 2 2 388.943 3.736 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@@H]([NH+]2CCC(Nc3cccc[nH+]3)CC2)C1=O ZINC000535573080 869024147 /nfs/dbraw/zinc/02/41/47/869024147.db2.gz FVMPAUXWPOZJIP-HXUWFJFHSA-N 2 2 382.483 3.601 20 0 GHADLP CC(C)[NH+](CCn1c(=O)c2ccccc2nc1SCCn1cc[nH+]c1)C(C)C ZINC000121861114 882271520 /nfs/dbraw/zinc/27/15/20/882271520.db2.gz QVNHTQJTJFIJJM-UHFFFAOYSA-N 2 2 399.564 3.504 20 0 GHADLP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)oc21 ZINC000539496960 869248568 /nfs/dbraw/zinc/24/85/68/869248568.db2.gz WJJLXFUIDJJUQD-IOMROCGXSA-N 2 2 394.515 3.975 20 0 GHADLP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)oc21 ZINC000539496960 869248577 /nfs/dbraw/zinc/24/85/77/869248577.db2.gz WJJLXFUIDJJUQD-IOMROCGXSA-N 2 2 394.515 3.975 20 0 GHADLP Cn1cc(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000121794931 882284109 /nfs/dbraw/zinc/28/41/09/882284109.db2.gz SCFMDHPJXKMBJQ-QHCPKHFHSA-N 2 2 375.520 3.626 20 0 GHADLP Cn1cc(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000121794931 882284126 /nfs/dbraw/zinc/28/41/26/882284126.db2.gz SCFMDHPJXKMBJQ-QHCPKHFHSA-N 2 2 375.520 3.626 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000248171474 870308413 /nfs/dbraw/zinc/30/84/13/870308413.db2.gz UVYGOPAEQCTYGF-RDTXWAMCSA-N 2 2 394.350 3.696 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000248171474 870308427 /nfs/dbraw/zinc/30/84/27/870308427.db2.gz UVYGOPAEQCTYGF-RDTXWAMCSA-N 2 2 394.350 3.696 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC(CO)(Cc4ccccc4)CC3)sc2C1 ZINC000446846595 870527386 /nfs/dbraw/zinc/52/73/86/870527386.db2.gz BRFUTRVFCMKFFD-UHFFFAOYSA-N 2 2 399.604 3.727 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC(CO)(Cc4ccccc4)CC3)sc2C1 ZINC000446846595 870527407 /nfs/dbraw/zinc/52/74/07/870527407.db2.gz BRFUTRVFCMKFFD-UHFFFAOYSA-N 2 2 399.604 3.727 20 0 GHADLP CCCOc1c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cccc1OCC ZINC000538799281 870630302 /nfs/dbraw/zinc/63/03/02/870630302.db2.gz XICQXOICUUNIES-IRFCIJBXSA-N 2 2 376.541 3.558 20 0 GHADLP CCCOc1c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cccc1OCC ZINC000538799281 870630312 /nfs/dbraw/zinc/63/03/12/870630312.db2.gz XICQXOICUUNIES-IRFCIJBXSA-N 2 2 376.541 3.558 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC001192955179 870782427 /nfs/dbraw/zinc/78/24/27/870782427.db2.gz GAHWAXAKOSLILQ-UHFFFAOYSA-N 2 2 392.657 3.851 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC001192955179 870782439 /nfs/dbraw/zinc/78/24/39/870782439.db2.gz GAHWAXAKOSLILQ-UHFFFAOYSA-N 2 2 392.657 3.851 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(C)cccc2C(C)C)[C@@H](C)C1 ZINC000249486953 870843812 /nfs/dbraw/zinc/84/38/12/870843812.db2.gz YLKDEEYYRDAPRI-FPOVZHCZSA-N 2 2 389.584 3.784 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(C)cccc2C(C)C)[C@@H](C)C1 ZINC000249486953 870843826 /nfs/dbraw/zinc/84/38/26/870843826.db2.gz YLKDEEYYRDAPRI-FPOVZHCZSA-N 2 2 389.584 3.784 20 0 GHADLP C[C@H](c1cc(F)ccc1F)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000540245423 870848906 /nfs/dbraw/zinc/84/89/06/870848906.db2.gz PKBUJNYMZVSJFM-BRWVUGGUSA-N 2 2 382.495 3.616 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)CN1C(=O)OC(C)(C)C ZINC001168835562 870892582 /nfs/dbraw/zinc/89/25/82/870892582.db2.gz SPKYICPPHNLFIC-JKSUJKDBSA-N 2 2 393.959 3.988 20 0 GHADLP CC(C)[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000540302669 870947968 /nfs/dbraw/zinc/94/79/68/870947968.db2.gz QWAXDFAWRAOGQO-OALUTQOASA-N 2 2 399.501 3.935 20 0 GHADLP CC(C)[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000540302669 870947978 /nfs/dbraw/zinc/94/79/78/870947978.db2.gz QWAXDFAWRAOGQO-OALUTQOASA-N 2 2 399.501 3.935 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463134449 870979053 /nfs/dbraw/zinc/97/90/53/870979053.db2.gz ZLQKGKYZVYNSMD-PXDATVDWSA-N 2 2 393.575 3.662 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463134449 870979065 /nfs/dbraw/zinc/97/90/65/870979065.db2.gz ZLQKGKYZVYNSMD-PXDATVDWSA-N 2 2 393.575 3.662 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463134449 870979074 /nfs/dbraw/zinc/97/90/74/870979074.db2.gz ZLQKGKYZVYNSMD-PXDATVDWSA-N 3 2 393.575 3.662 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463134449 870979083 /nfs/dbraw/zinc/97/90/83/870979083.db2.gz ZLQKGKYZVYNSMD-PXDATVDWSA-N 3 2 393.575 3.662 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000463141109 870996128 /nfs/dbraw/zinc/99/61/28/870996128.db2.gz NAAONFSRJSRXDN-WOJBJXKFSA-N 3 2 375.576 3.790 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cc(C)ccc1OC ZINC000538984792 871049716 /nfs/dbraw/zinc/04/97/16/871049716.db2.gz CKTPDOKSOHPJBX-PMVMPFDFSA-N 2 2 382.548 3.927 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cc(C)ccc1OC ZINC000538984792 871049734 /nfs/dbraw/zinc/04/97/34/871049734.db2.gz CKTPDOKSOHPJBX-PMVMPFDFSA-N 2 2 382.548 3.927 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000463167166 871064042 /nfs/dbraw/zinc/06/40/42/871064042.db2.gz DJJPGFHTXYZFEN-ZWKOTPCHSA-N 2 2 375.582 3.608 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000463167166 871064067 /nfs/dbraw/zinc/06/40/67/871064067.db2.gz DJJPGFHTXYZFEN-ZWKOTPCHSA-N 2 2 375.582 3.608 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H](Cc3ccccc3)CC(C)C)C2)C1 ZINC001169072427 871161389 /nfs/dbraw/zinc/16/13/89/871161389.db2.gz ZXMOQGIOMGENLW-BJKOFHAPSA-N 2 2 388.596 3.705 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@H](Cc3ccccc3)CC(C)C)C2)C1 ZINC001169072427 871161399 /nfs/dbraw/zinc/16/13/99/871161399.db2.gz ZXMOQGIOMGENLW-BJKOFHAPSA-N 2 2 388.596 3.705 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H](Cc3ccccc3)CC(C)C)C2)C1 ZINC001169072427 871161406 /nfs/dbraw/zinc/16/14/06/871161406.db2.gz ZXMOQGIOMGENLW-BJKOFHAPSA-N 2 2 388.596 3.705 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@H](Cc3ccccc3)CC(C)C)C2)C1 ZINC001169072427 871161424 /nfs/dbraw/zinc/16/14/24/871161424.db2.gz ZXMOQGIOMGENLW-BJKOFHAPSA-N 2 2 388.596 3.705 20 0 GHADLP FC(F)(F)COc1cnccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463237434 871227702 /nfs/dbraw/zinc/22/77/02/871227702.db2.gz NFOKLVRQPVHYFQ-UHFFFAOYSA-N 2 2 393.453 3.819 20 0 GHADLP COC(=O)CCC[NH+]1CCC(Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1 ZINC000463294261 871354275 /nfs/dbraw/zinc/35/42/75/871354275.db2.gz QVIBIKJPFPJGBU-UHFFFAOYSA-N 2 2 396.535 3.716 20 0 GHADLP O=c1c(Nc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)cccn1CC1CC1 ZINC001169447916 871509994 /nfs/dbraw/zinc/50/99/94/871509994.db2.gz LJDNFRWTZXOGFO-SFHVURJKSA-N 2 2 377.492 3.666 20 0 GHADLP CCN(CC)C(=O)C[C@H](C)[NH+]1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001169465988 871543499 /nfs/dbraw/zinc/54/34/99/871543499.db2.gz CJTBCPKFEFNZEU-KRWDZBQOSA-N 2 2 392.613 3.529 20 0 GHADLP CCN(CC)C(=O)C[C@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001169465988 871543506 /nfs/dbraw/zinc/54/35/06/871543506.db2.gz CJTBCPKFEFNZEU-KRWDZBQOSA-N 2 2 392.613 3.529 20 0 GHADLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(OC)c(OC)c1 ZINC001194212379 871558008 /nfs/dbraw/zinc/55/80/08/871558008.db2.gz ANJBLXBZBSJNHB-QFIPXVFZSA-N 2 2 397.563 3.957 20 0 GHADLP Cc1cc(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c2[nH+]ccn2c1 ZINC001169515319 871584170 /nfs/dbraw/zinc/58/41/70/871584170.db2.gz AOSWHMKNFKBGMA-UYAOXDASSA-N 2 2 378.476 3.514 20 0 GHADLP Cc1cc(Br)cc2cc([C@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)C)oc21 ZINC000540645684 871832245 /nfs/dbraw/zinc/83/22/45/871832245.db2.gz FGPVAQCXHOJLEE-DOTOQJQBSA-N 2 2 383.330 3.713 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]C3(c4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000540751103 872057202 /nfs/dbraw/zinc/05/72/02/872057202.db2.gz XOKFRSIAJNRTGE-UHFFFAOYSA-N 2 2 382.479 3.840 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1nc2ccc(Cl)cc2n1C ZINC000540757434 872070299 /nfs/dbraw/zinc/07/02/99/872070299.db2.gz UAEFSTGHZRUNHB-PBHICJAKSA-N 2 2 398.942 3.935 20 0 GHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000093742343 872379337 /nfs/dbraw/zinc/37/93/37/872379337.db2.gz XXSKPNGOPOGNNX-KRWDZBQOSA-N 2 2 376.495 3.931 20 0 GHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000093742343 872379357 /nfs/dbraw/zinc/37/93/57/872379357.db2.gz XXSKPNGOPOGNNX-KRWDZBQOSA-N 2 2 376.495 3.931 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000093742343 872379377 /nfs/dbraw/zinc/37/93/77/872379377.db2.gz XXSKPNGOPOGNNX-KRWDZBQOSA-N 2 2 376.495 3.931 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000093742343 872379394 /nfs/dbraw/zinc/37/93/94/872379394.db2.gz XXSKPNGOPOGNNX-KRWDZBQOSA-N 2 2 376.495 3.931 20 0 GHADLP CC[N@H+](CCC(C)(C)C(=O)OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000526971175 872384394 /nfs/dbraw/zinc/38/43/94/872384394.db2.gz TTYYZCHZHNHSTI-UHFFFAOYSA-N 2 2 390.572 3.788 20 0 GHADLP CC[N@@H+](CCC(C)(C)C(=O)OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000526971175 872384412 /nfs/dbraw/zinc/38/44/12/872384412.db2.gz TTYYZCHZHNHSTI-UHFFFAOYSA-N 2 2 390.572 3.788 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)CCc2c[nH+]cn2C)cc1)C[C@@H]1CCCCO1 ZINC000527003342 872410110 /nfs/dbraw/zinc/41/01/10/872410110.db2.gz UHIYYSMVPLXUBJ-QFIPXVFZSA-N 2 2 398.551 3.771 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)CCc2c[nH+]cn2C)cc1)C[C@@H]1CCCCO1 ZINC000527003342 872410126 /nfs/dbraw/zinc/41/01/26/872410126.db2.gz UHIYYSMVPLXUBJ-QFIPXVFZSA-N 2 2 398.551 3.771 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000527012956 872466781 /nfs/dbraw/zinc/46/67/81/872466781.db2.gz GXWVQHTUWONHLM-SXLOBPIMSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000527012956 872466802 /nfs/dbraw/zinc/46/68/02/872466802.db2.gz GXWVQHTUWONHLM-SXLOBPIMSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000527012956 872466818 /nfs/dbraw/zinc/46/68/18/872466818.db2.gz GXWVQHTUWONHLM-SXLOBPIMSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000527012956 872466838 /nfs/dbraw/zinc/46/68/38/872466838.db2.gz GXWVQHTUWONHLM-SXLOBPIMSA-N 2 2 394.563 3.665 20 0 GHADLP C[C@@H](c1nnc(SCCC[NH+]2CCCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000191803282 882619540 /nfs/dbraw/zinc/61/95/40/882619540.db2.gz STBBSXUKOPSCTF-INIZCTEOSA-N 2 2 391.560 3.997 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4ccc(Cl)nc43)CC2)cc1 ZINC000857913796 882634802 /nfs/dbraw/zinc/63/48/02/882634802.db2.gz NTSFVIKALXYZEZ-HXUWFJFHSA-N 2 2 398.938 3.935 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000527263098 872906817 /nfs/dbraw/zinc/90/68/17/872906817.db2.gz SBKDGQSYYANUKN-PMACEKPBSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000527263098 872906819 /nfs/dbraw/zinc/90/68/19/872906819.db2.gz SBKDGQSYYANUKN-PMACEKPBSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000527263098 872906824 /nfs/dbraw/zinc/90/68/24/872906824.db2.gz SBKDGQSYYANUKN-PMACEKPBSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000527263098 872906827 /nfs/dbraw/zinc/90/68/27/872906827.db2.gz SBKDGQSYYANUKN-PMACEKPBSA-N 2 2 394.563 3.619 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541201982 873124840 /nfs/dbraw/zinc/12/48/40/873124840.db2.gz DEXKBRLQKZFITB-SFHVURJKSA-N 2 2 386.515 3.734 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc(CC[NH+]3CCCC3)cc1)C2 ZINC000527527205 873249416 /nfs/dbraw/zinc/24/94/16/873249416.db2.gz PTPLCFFMBSMBGP-SFHVURJKSA-N 2 2 380.536 3.915 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc(CC[NH+]3CCCC3)cc1)CC2 ZINC000527527205 873249426 /nfs/dbraw/zinc/24/94/26/873249426.db2.gz PTPLCFFMBSMBGP-SFHVURJKSA-N 2 2 380.536 3.915 20 0 GHADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2ncc3ccc(OCc4ccccc4)cc32)C1 ZINC000768500431 873339813 /nfs/dbraw/zinc/33/98/13/873339813.db2.gz ODTQMKASWHWQFE-GMAHTHKFSA-N 2 2 390.531 3.989 20 0 GHADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2ncc3ccc(OCc4ccccc4)cc32)C1 ZINC000768500431 873339827 /nfs/dbraw/zinc/33/98/27/873339827.db2.gz ODTQMKASWHWQFE-GMAHTHKFSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cn2ncc3ccc(OCc4ccccc4)cc32)C1 ZINC000768500431 873339840 /nfs/dbraw/zinc/33/98/40/873339840.db2.gz ODTQMKASWHWQFE-GMAHTHKFSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cn2ncc3ccc(OCc4ccccc4)cc32)C1 ZINC000768500431 873339855 /nfs/dbraw/zinc/33/98/55/873339855.db2.gz ODTQMKASWHWQFE-GMAHTHKFSA-N 2 2 390.531 3.989 20 0 GHADLP CCOC(=O)[C@H](Cc1cccc2ccccc21)[NH2+]CCCCn1cc[nH+]c1C ZINC001196747653 873349520 /nfs/dbraw/zinc/34/95/20/873349520.db2.gz RWDGZYYFAGZGND-QFIPXVFZSA-N 2 2 379.504 3.889 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C[C@@H]3CCC[N@H+](C)[C@H]3c3cccs3)cs2)cn1 ZINC000527669817 873431687 /nfs/dbraw/zinc/43/16/87/873431687.db2.gz ZFZBZEVTCLBNPW-KBXCAEBGSA-N 2 2 387.578 3.778 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C[C@@H]3CCC[N@@H+](C)[C@H]3c3cccs3)cs2)cn1 ZINC000527669817 873431699 /nfs/dbraw/zinc/43/16/99/873431699.db2.gz ZFZBZEVTCLBNPW-KBXCAEBGSA-N 2 2 387.578 3.778 20 0 GHADLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2[C@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC001196936062 873488023 /nfs/dbraw/zinc/48/80/23/873488023.db2.gz OZKYVZGPRVQNLB-IRLDBZIGSA-N 2 2 387.543 3.908 20 0 GHADLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2[C@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC001196936062 873488028 /nfs/dbraw/zinc/48/80/28/873488028.db2.gz OZKYVZGPRVQNLB-IRLDBZIGSA-N 2 2 387.543 3.908 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000192057203 882727752 /nfs/dbraw/zinc/72/77/52/882727752.db2.gz JTKLQEBDOFHZJD-FQEVSTJZSA-N 2 2 388.515 3.823 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000192057203 882727764 /nfs/dbraw/zinc/72/77/64/882727764.db2.gz JTKLQEBDOFHZJD-FQEVSTJZSA-N 2 2 388.515 3.823 20 0 GHADLP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000541627273 873987491 /nfs/dbraw/zinc/98/74/91/873987491.db2.gz UDHQCXPQVCZXFI-LJQANCHMSA-N 2 2 391.943 3.777 20 0 GHADLP Cc1cccc2c1[C@H](NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1)CCO2 ZINC001198030749 874187784 /nfs/dbraw/zinc/18/77/84/874187784.db2.gz PDCBHTBXAWTOIV-OAQYLSRUSA-N 2 2 395.547 3.632 20 0 GHADLP Cc1cccc2c1[C@H](NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1)CCO2 ZINC001198030749 874187794 /nfs/dbraw/zinc/18/77/94/874187794.db2.gz PDCBHTBXAWTOIV-OAQYLSRUSA-N 2 2 395.547 3.632 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NC[C@H]2CCCC(F)(F)C2)cc1 ZINC001198041590 874195253 /nfs/dbraw/zinc/19/52/53/874195253.db2.gz IOOLLVYEAWHOOC-SFHVURJKSA-N 2 2 381.511 3.625 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NC[C@H]2CCCC(F)(F)C2)cc1 ZINC001198041590 874195261 /nfs/dbraw/zinc/19/52/61/874195261.db2.gz IOOLLVYEAWHOOC-SFHVURJKSA-N 2 2 381.511 3.625 20 0 GHADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC000302734312 874373519 /nfs/dbraw/zinc/37/35/19/874373519.db2.gz APEGEZYXTMMDDE-HXUWFJFHSA-N 2 2 383.561 3.538 20 0 GHADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC000302734312 874373536 /nfs/dbraw/zinc/37/35/36/874373536.db2.gz APEGEZYXTMMDDE-HXUWFJFHSA-N 2 2 383.561 3.538 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770002903 874396901 /nfs/dbraw/zinc/39/69/01/874396901.db2.gz BTIMDSDOCOIJED-RTBURBONSA-N 2 2 395.551 3.617 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770002903 874396921 /nfs/dbraw/zinc/39/69/21/874396921.db2.gz BTIMDSDOCOIJED-RTBURBONSA-N 2 2 395.551 3.617 20 0 GHADLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(Cl)sc3Cl)cn2)CC1 ZINC000449082040 874463465 /nfs/dbraw/zinc/46/34/65/874463465.db2.gz JXWNCBVBXIPNMY-UHFFFAOYSA-N 2 2 385.364 3.882 20 0 GHADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000449143159 874529809 /nfs/dbraw/zinc/52/98/09/874529809.db2.gz HOFIWLOBOKVHHC-AVRDEDQJSA-N 2 2 395.522 3.616 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC001198790687 874611353 /nfs/dbraw/zinc/61/13/53/874611353.db2.gz LSPAOIYLOUAZKF-OAHLLOKOSA-N 2 2 387.503 3.568 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC001198790687 874611362 /nfs/dbraw/zinc/61/13/62/874611362.db2.gz LSPAOIYLOUAZKF-OAHLLOKOSA-N 2 2 387.503 3.568 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(S(=O)(=O)C(C)C)cc2)CC1 ZINC000541988642 874678934 /nfs/dbraw/zinc/67/89/34/874678934.db2.gz MKCZJFBSZQLFTI-UHFFFAOYSA-N 2 2 380.598 3.813 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(S(=O)(=O)C(C)C)cc2)CC1 ZINC000541988642 874678938 /nfs/dbraw/zinc/67/89/38/874678938.db2.gz MKCZJFBSZQLFTI-UHFFFAOYSA-N 2 2 380.598 3.813 20 0 GHADLP COc1ccc(-n2cc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cn2)cc1 ZINC000449291012 874703456 /nfs/dbraw/zinc/70/34/56/874703456.db2.gz IKISUZFOGQEEBL-UHFFFAOYSA-N 2 2 391.519 3.793 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000449494077 874950656 /nfs/dbraw/zinc/95/06/56/874950656.db2.gz GBWNOXUOYSDZRD-IEBWSBKVSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000449494077 874950669 /nfs/dbraw/zinc/95/06/69/874950669.db2.gz GBWNOXUOYSDZRD-IEBWSBKVSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000449494077 874950672 /nfs/dbraw/zinc/95/06/72/874950672.db2.gz GBWNOXUOYSDZRD-IEBWSBKVSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000449494077 874950685 /nfs/dbraw/zinc/95/06/85/874950685.db2.gz GBWNOXUOYSDZRD-IEBWSBKVSA-N 2 2 377.960 3.667 20 0 GHADLP CCOc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1 ZINC000449525536 875003072 /nfs/dbraw/zinc/00/30/72/875003072.db2.gz VWWYHOPTTFTNOB-UHFFFAOYSA-N 2 2 381.520 3.798 20 0 GHADLP Fc1cccc(-n2cccn2)c1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000449688680 875264362 /nfs/dbraw/zinc/26/43/62/875264362.db2.gz HKDZOHMEYWUTNC-UHFFFAOYSA-N 2 2 378.495 3.808 20 0 GHADLP Cc1cc(CNc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)c2c([nH+]1)CCCC2 ZINC001201209196 875562683 /nfs/dbraw/zinc/56/26/83/875562683.db2.gz HNJIVRNRMMVVQK-IBGZPJMESA-N 2 2 392.547 3.578 20 0 GHADLP Cc1cc(CNc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)c2c([nH+]1)CCCC2 ZINC001201209196 875562691 /nfs/dbraw/zinc/56/26/91/875562691.db2.gz HNJIVRNRMMVVQK-IBGZPJMESA-N 2 2 392.547 3.578 20 0 GHADLP C[C@H](O)C[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccc1 ZINC000121569897 875609958 /nfs/dbraw/zinc/60/99/58/875609958.db2.gz PACFWPFWTQIOMD-FPOVZHCZSA-N 2 2 381.564 3.866 20 0 GHADLP Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(Cl)c1Cl ZINC000449963842 875709635 /nfs/dbraw/zinc/70/96/35/875709635.db2.gz COFMOGBKZMNMBB-UHFFFAOYSA-N 2 2 398.378 3.982 20 0 GHADLP Cc1ccc(Oc2ccccc2)c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC001201606392 875782964 /nfs/dbraw/zinc/78/29/64/875782964.db2.gz BCGRAGBTDRFQLF-UHFFFAOYSA-N 2 2 384.524 3.792 20 0 GHADLP Cc1ccc(Oc2ccccc2)c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC001201606392 875782971 /nfs/dbraw/zinc/78/29/71/875782971.db2.gz BCGRAGBTDRFQLF-UHFFFAOYSA-N 2 2 384.524 3.792 20 0 GHADLP CC[C@@H](C)[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000303956452 876123839 /nfs/dbraw/zinc/12/38/39/876123839.db2.gz KPUWASCURUHUST-IFMALSPDSA-N 2 2 385.596 3.883 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccsc3Br)CC2)CC1 ZINC000529611778 876377477 /nfs/dbraw/zinc/37/74/77/876377477.db2.gz PCUGQMHLFJWJGK-UHFFFAOYSA-N 2 2 386.403 3.503 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccsc3Br)CC2)CC1 ZINC000529611778 876377484 /nfs/dbraw/zinc/37/74/84/876377484.db2.gz PCUGQMHLFJWJGK-UHFFFAOYSA-N 2 2 386.403 3.503 20 0 GHADLP C[NH+](C)CC1CC[NH+](c2ccc(NCc3ccnn3-c3cc[nH+]cc3)cc2)CC1 ZINC000850217758 876734083 /nfs/dbraw/zinc/73/40/83/876734083.db2.gz LVOMFAQJKTYYBH-UHFFFAOYSA-N 3 2 390.535 3.657 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786777899 876931227 /nfs/dbraw/zinc/93/12/27/876931227.db2.gz BKHXFJNVNSAGRW-DLBZAZTESA-N 2 2 375.476 3.814 20 0 GHADLP COC(=O)c1nc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)ccc1Cl ZINC000850512573 876982861 /nfs/dbraw/zinc/98/28/61/876982861.db2.gz HMGDXXNATJKSSD-KSSFIOAISA-N 2 2 379.932 3.654 20 0 GHADLP Fc1cccc(OC(F)(F)F)c1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000551561438 877422785 /nfs/dbraw/zinc/42/27/85/877422785.db2.gz QDXVSBGFYKJVMU-UHFFFAOYSA-N 2 2 398.400 3.846 20 0 GHADLP CN(CCCn1cc[nH+]c1)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000137357355 877536958 /nfs/dbraw/zinc/53/69/58/877536958.db2.gz HRWRVOMSIPAKSA-UHFFFAOYSA-N 2 2 397.567 3.879 20 0 GHADLP CN(CCCn1cc[nH+]c1)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000137357355 877536973 /nfs/dbraw/zinc/53/69/73/877536973.db2.gz HRWRVOMSIPAKSA-UHFFFAOYSA-N 2 2 397.567 3.879 20 0 GHADLP Cc1nc(C(C)C)oc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000551748051 877770776 /nfs/dbraw/zinc/77/07/76/877770776.db2.gz RHYXUFBOMJXXND-RBUKOAKNSA-N 2 2 390.572 3.516 20 0 GHADLP Cc1nc(C(C)C)oc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000551748051 877770783 /nfs/dbraw/zinc/77/07/83/877770783.db2.gz RHYXUFBOMJXXND-RBUKOAKNSA-N 2 2 390.572 3.516 20 0 GHADLP C[C@H](CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)Cn1cc[nH+]c1 ZINC000081801505 878255160 /nfs/dbraw/zinc/25/51/60/878255160.db2.gz BHERJWGIRINPIP-LJQANCHMSA-N 2 2 376.504 3.581 20 0 GHADLP C[C@H](CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)Cn1cc[nH+]c1 ZINC000081801505 878255179 /nfs/dbraw/zinc/25/51/79/878255179.db2.gz BHERJWGIRINPIP-LJQANCHMSA-N 2 2 376.504 3.581 20 0 GHADLP CSc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000245681812 878367428 /nfs/dbraw/zinc/36/74/28/878367428.db2.gz HKUCOXDKQUFMQB-NHCUHLMSSA-N 2 2 389.609 3.818 20 0 GHADLP CSc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000245681812 878367448 /nfs/dbraw/zinc/36/74/48/878367448.db2.gz HKUCOXDKQUFMQB-NHCUHLMSSA-N 2 2 389.609 3.818 20 0 GHADLP C[NH+](C)CCN(CC1CCCCC1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000667033133 878386623 /nfs/dbraw/zinc/38/66/23/878386623.db2.gz FDVRLDHWFNZZDQ-OAQYLSRUSA-N 2 2 382.552 3.902 20 0 GHADLP CC[N@H+](CCCC1CC[NH+]([C@H](C)c2nnc(C)o2)CC1)[C@H](C)c1nnc(C)o1 ZINC000245716478 878454933 /nfs/dbraw/zinc/45/49/33/878454933.db2.gz GSJUCCAXWTVWGC-HUUCEWRRSA-N 2 2 390.532 3.706 20 0 GHADLP CC[N@@H+](CCCC1CC[NH+]([C@H](C)c2nnc(C)o2)CC1)[C@H](C)c1nnc(C)o1 ZINC000245716478 878454944 /nfs/dbraw/zinc/45/49/44/878454944.db2.gz GSJUCCAXWTVWGC-HUUCEWRRSA-N 2 2 390.532 3.706 20 0 GHADLP CN(C(=O)c1cccc(Cl)c1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245719478 878466513 /nfs/dbraw/zinc/46/65/13/878466513.db2.gz PIMIHHFKZVBJCU-RBUKOAKNSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1cccc(Cl)c1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245719478 878466520 /nfs/dbraw/zinc/46/65/20/878466520.db2.gz PIMIHHFKZVBJCU-RBUKOAKNSA-N 2 2 395.950 3.888 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000245778671 878586178 /nfs/dbraw/zinc/58/61/78/878586178.db2.gz LTWLHFLNGYSJKO-VAMGGRTRSA-N 2 2 386.584 3.798 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000245778671 878586189 /nfs/dbraw/zinc/58/61/89/878586189.db2.gz LTWLHFLNGYSJKO-VAMGGRTRSA-N 2 2 386.584 3.798 20 0 GHADLP C[NH+]1CCN(c2cc(C[NH2+][C@@H](c3ccccc3)c3ccc(F)cc3)ccn2)CC1 ZINC000177222660 878605398 /nfs/dbraw/zinc/60/53/98/878605398.db2.gz SPWVQJNUUMIAKS-DEOSSOPVSA-N 2 2 390.506 3.852 20 0 GHADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000177304764 878642096 /nfs/dbraw/zinc/64/20/96/878642096.db2.gz DTIVDXGGLQFIEO-NRFANRHFSA-N 2 2 383.561 3.785 20 0 GHADLP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)NCc1c[nH+]cn1C ZINC000854066985 879496083 /nfs/dbraw/zinc/49/60/83/879496083.db2.gz LZPWCICURUFBQM-UHFFFAOYSA-N 2 2 391.947 3.517 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Br)cs1 ZINC000493961525 879778311 /nfs/dbraw/zinc/77/83/11/879778311.db2.gz QERYLRKERPEMIO-RDTXWAMCSA-N 2 2 395.366 3.798 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(Br)cs1 ZINC000493961525 879778318 /nfs/dbraw/zinc/77/83/18/879778318.db2.gz QERYLRKERPEMIO-RDTXWAMCSA-N 2 2 395.366 3.798 20 0 GHADLP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000246730680 879780968 /nfs/dbraw/zinc/78/09/68/879780968.db2.gz GGBFDTJNPXPJLW-XMSQKQJNSA-N 2 2 375.520 3.576 20 0 GHADLP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000246730680 879780977 /nfs/dbraw/zinc/78/09/77/879780977.db2.gz GGBFDTJNPXPJLW-XMSQKQJNSA-N 2 2 375.520 3.576 20 0 GHADLP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246819405 879814527 /nfs/dbraw/zinc/81/45/27/879814527.db2.gz NRIHNGBTGIFXAW-NKRSRWBGSA-N 2 2 383.580 3.981 20 0 GHADLP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246819405 879814544 /nfs/dbraw/zinc/81/45/44/879814544.db2.gz NRIHNGBTGIFXAW-NKRSRWBGSA-N 2 2 383.580 3.981 20 0 GHADLP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246819405 879814556 /nfs/dbraw/zinc/81/45/56/879814556.db2.gz NRIHNGBTGIFXAW-NKRSRWBGSA-N 2 2 383.580 3.981 20 0 GHADLP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246819405 879814571 /nfs/dbraw/zinc/81/45/71/879814571.db2.gz NRIHNGBTGIFXAW-NKRSRWBGSA-N 2 2 383.580 3.981 20 0 GHADLP CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000246874892 879837062 /nfs/dbraw/zinc/83/70/62/879837062.db2.gz ARNNLJGYJFXLLJ-FYYLOGMGSA-N 2 2 399.579 3.699 20 0 GHADLP CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000246874892 879837078 /nfs/dbraw/zinc/83/70/78/879837078.db2.gz ARNNLJGYJFXLLJ-FYYLOGMGSA-N 2 2 399.579 3.699 20 0 GHADLP CN(C(=O)Nc1ccc(F)cc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000247079768 879911064 /nfs/dbraw/zinc/91/10/64/879911064.db2.gz VXABPPFMGSAULH-WOJBJXKFSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1ccc(F)cc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247079768 879911074 /nfs/dbraw/zinc/91/10/74/879911074.db2.gz VXABPPFMGSAULH-WOJBJXKFSA-N 2 2 394.510 3.766 20 0 GHADLP C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C[NH+]1CCCCC1 ZINC000247311250 879967582 /nfs/dbraw/zinc/96/75/82/879967582.db2.gz FUUGHOSYAHSCLI-QIJUGHKUSA-N 2 2 395.551 3.533 20 0 GHADLP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1nc(C(C)(C)C)cs1 ZINC000184687178 880364146 /nfs/dbraw/zinc/36/41/46/880364146.db2.gz WIKQJUXBWNYOIG-DOTOQJQBSA-N 2 2 388.581 3.510 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCCO1 ZINC000453220477 880639408 /nfs/dbraw/zinc/63/94/08/880639408.db2.gz UEZLGFNANJIPMU-ONTLXTELSA-N 3 2 385.596 3.520 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCCO1 ZINC000453220477 880639413 /nfs/dbraw/zinc/63/94/13/880639413.db2.gz UEZLGFNANJIPMU-ONTLXTELSA-N 3 2 385.596 3.520 20 0 GHADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCCO1 ZINC000453220477 880639416 /nfs/dbraw/zinc/63/94/16/880639416.db2.gz UEZLGFNANJIPMU-ONTLXTELSA-N 3 2 385.596 3.520 20 0 GHADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCCO1 ZINC000453220477 880639418 /nfs/dbraw/zinc/63/94/18/880639418.db2.gz UEZLGFNANJIPMU-ONTLXTELSA-N 3 2 385.596 3.520 20 0 GHADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453330092 880762397 /nfs/dbraw/zinc/76/23/97/880762397.db2.gz RVJKRLNAGQGMRV-KOSHJBKYSA-N 2 2 395.547 3.975 20 0 GHADLP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1 ZINC000453317675 880787281 /nfs/dbraw/zinc/78/72/81/880787281.db2.gz AKKSCPIPTNWBHJ-QGZVFWFLSA-N 2 2 381.520 3.969 20 0 GHADLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1sccc1Br ZINC000531938377 880793808 /nfs/dbraw/zinc/79/38/08/880793808.db2.gz WYACVHSXAREFFI-ZDUSSCGKSA-N 2 2 395.370 3.508 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000531962778 880827189 /nfs/dbraw/zinc/82/71/89/880827189.db2.gz MVYAPEINNPWSLO-CVEARBPZSA-N 2 2 381.948 3.776 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2Br)CC[N@@H+]1C ZINC000186760513 880978884 /nfs/dbraw/zinc/97/88/84/880978884.db2.gz WNXNPOPNDZSDTM-ZWNOBZJWSA-N 2 2 376.136 3.784 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2Br)CC[N@H+]1C ZINC000186760513 880978898 /nfs/dbraw/zinc/97/88/98/880978898.db2.gz WNXNPOPNDZSDTM-ZWNOBZJWSA-N 2 2 376.136 3.784 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000792260682 881023512 /nfs/dbraw/zinc/02/35/12/881023512.db2.gz PAYRJMMPGUNBKV-QFIPXVFZSA-N 2 2 384.524 3.964 20 0 GHADLP C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000543707618 881025403 /nfs/dbraw/zinc/02/54/03/881025403.db2.gz KGCFCERHLYETSE-SIKLNZKXSA-N 2 2 398.595 3.560 20 0 GHADLP COc1ccc([C@@H]([NH2+]CCc2c[nH]c3ccc(OC)cc23)[C@@H]2CCC[NH2+]2)cc1 ZINC000643453893 912709325 /nfs/dbraw/zinc/70/93/25/912709325.db2.gz FPFSYCUBTFPOKN-XZOQPEGZSA-N 2 2 379.504 3.811 20 0 GHADLP Cc1ccc(C2(C[NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)CCCC2)c(C)c1 ZINC000551296304 883610617 /nfs/dbraw/zinc/61/06/17/883610617.db2.gz IOEZLSZDKGXHJN-UHFFFAOYSA-N 2 2 399.623 3.501 20 0 GHADLP Cc1ccc(C2(C[NH2+]C3CC[NH+](CCN4CCOCC4)CC3)CCCC2)c(C)c1 ZINC000551296304 883610622 /nfs/dbraw/zinc/61/06/22/883610622.db2.gz IOEZLSZDKGXHJN-UHFFFAOYSA-N 2 2 399.623 3.501 20 0 GHADLP CC[NH+]1CCC([NH+](C)CC[Si](C)(C)CC[N@@H+](C)C2CC[NH+](CC)CC2)CC1 ZINC000859154753 883622912 /nfs/dbraw/zinc/62/29/12/883622912.db2.gz GSQDWMWTUNSEAH-UHFFFAOYSA-N 4 2 396.740 3.527 20 0 GHADLP CC[NH+]1CCC([NH+](C)CC[Si](C)(C)CC[N@H+](C)C2CC[NH+](CC)CC2)CC1 ZINC000859154753 883622921 /nfs/dbraw/zinc/62/29/21/883622921.db2.gz GSQDWMWTUNSEAH-UHFFFAOYSA-N 4 2 396.740 3.527 20 0 GHADLP CSc1ccc([C@H](CNC2CC[NH+](Cc3ccncc3)CC2)[NH+](C)C)cc1 ZINC000551310475 883666796 /nfs/dbraw/zinc/66/67/96/883666796.db2.gz IFEIYXJZNAGQSH-QFIPXVFZSA-N 2 2 384.593 3.660 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000188714763 883863488 /nfs/dbraw/zinc/86/34/88/883863488.db2.gz WPCAMUKPAHQVBH-LPHOPBHVSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000188714763 883863504 /nfs/dbraw/zinc/86/35/04/883863504.db2.gz WPCAMUKPAHQVBH-LPHOPBHVSA-N 2 2 375.463 3.726 20 0 GHADLP CSc1ccc(/C=C\C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)s1 ZINC000859644251 883966230 /nfs/dbraw/zinc/96/62/30/883966230.db2.gz VGXOWIQAKXZVOS-VURMDHGXSA-N 2 2 393.622 3.550 20 0 GHADLP O[C@@](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)(c1ccc(Cl)cc1)C(F)(F)F ZINC000777124084 884021663 /nfs/dbraw/zinc/02/16/63/884021663.db2.gz VGFUJTUCXDEZLT-SFHVURJKSA-N 2 2 399.844 3.744 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000190533475 884096921 /nfs/dbraw/zinc/09/69/21/884096921.db2.gz CWVCIFYKLCUWJX-UHFFFAOYSA-N 2 2 389.588 3.664 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1C ZINC000806641464 884891603 /nfs/dbraw/zinc/89/16/03/884891603.db2.gz NGOQSARDHKLFSW-PXNSSMCTSA-N 2 2 384.524 3.506 20 0 GHADLP C[C@@H]1[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCN1Cc1ccccc1 ZINC000806662625 884920167 /nfs/dbraw/zinc/92/01/67/884920167.db2.gz FUILLMPMRHNEMY-CJFMBICVSA-N 2 2 392.591 3.974 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1CCN(c2ccccc2)C1=O ZINC000808165959 886036000 /nfs/dbraw/zinc/03/60/00/886036000.db2.gz UWZVAVDJFHSFSQ-UHFFFAOYSA-N 2 2 393.535 3.520 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cn2c(=S)snc2-c2ccccc2)C1 ZINC000747471838 886146678 /nfs/dbraw/zinc/14/66/78/886146678.db2.gz WKKDFSTXJSIERY-KRWDZBQOSA-N 2 2 392.594 3.731 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cn2c(=S)snc2-c2ccccc2)C1 ZINC000747471838 886146684 /nfs/dbraw/zinc/14/66/84/886146684.db2.gz WKKDFSTXJSIERY-KRWDZBQOSA-N 2 2 392.594 3.731 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000287007303 913028760 /nfs/dbraw/zinc/02/87/60/913028760.db2.gz HLJJBJGIZNNJPO-IEBWSBKVSA-N 2 2 391.519 3.692 20 0 GHADLP Cc1cc(OC[C@@H](O)C[NH+]2CCC([NH2+]C(C)C)CC2)c(C(C)C)cc1Cl ZINC000118984972 886314295 /nfs/dbraw/zinc/31/42/95/886314295.db2.gz QNLSSFDQZGXRGW-SFHVURJKSA-N 2 2 382.976 3.974 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000119203266 886476856 /nfs/dbraw/zinc/47/68/56/886476856.db2.gz GHRAALCDJHDCFC-MOPGFXCFSA-N 2 2 392.613 3.648 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000119203266 886476868 /nfs/dbraw/zinc/47/68/68/886476868.db2.gz GHRAALCDJHDCFC-MOPGFXCFSA-N 2 2 392.613 3.648 20 0 GHADLP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000119842950 886481645 /nfs/dbraw/zinc/48/16/45/886481645.db2.gz CUOKMKTYMRJRNH-GCJKJVERSA-N 2 2 380.536 3.676 20 0 GHADLP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000119842950 886481652 /nfs/dbraw/zinc/48/16/52/886481652.db2.gz CUOKMKTYMRJRNH-GCJKJVERSA-N 2 2 380.536 3.676 20 0 GHADLP CN(C(=O)Nc1ccc(F)c(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000119314817 886584697 /nfs/dbraw/zinc/58/46/97/886584697.db2.gz CKCHTVQYKVMIJN-UXHICEINSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1ccc(F)c(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000119314817 886584715 /nfs/dbraw/zinc/58/47/15/886584715.db2.gz CKCHTVQYKVMIJN-UXHICEINSA-N 2 2 394.510 3.766 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000119107382 886647730 /nfs/dbraw/zinc/64/77/30/886647730.db2.gz NQQDZLXQSFSJAB-AVRDEDQJSA-N 2 2 379.504 3.958 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000119107382 886647738 /nfs/dbraw/zinc/64/77/38/886647738.db2.gz NQQDZLXQSFSJAB-AVRDEDQJSA-N 2 2 379.504 3.958 20 0 GHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000808679046 886680659 /nfs/dbraw/zinc/68/06/59/886680659.db2.gz BGOFEAYPOLTDPP-QUCCMNQESA-N 2 2 384.524 3.941 20 0 GHADLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(C(=O)OC)cc1 ZINC000550752421 886687047 /nfs/dbraw/zinc/68/70/47/886687047.db2.gz KMZORVXVAURLKL-NRFANRHFSA-N 2 2 396.535 3.962 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119514613 886699591 /nfs/dbraw/zinc/69/95/91/886699591.db2.gz DMNYZFMJMJXEFT-DENIHFKCSA-N 2 2 388.515 3.757 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1NC(C)=O ZINC000132256839 886761410 /nfs/dbraw/zinc/76/14/10/886761410.db2.gz KZUNEXAEPXSHRL-QGZVFWFLSA-N 2 2 392.503 3.792 20 0 GHADLP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)c2)cc1 ZINC000237499862 886957753 /nfs/dbraw/zinc/95/77/53/886957753.db2.gz ZMXWILIGYQUSIN-VXKWHMMOSA-N 2 2 379.504 3.664 20 0 GHADLP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)c2)cc1 ZINC000237499862 886957759 /nfs/dbraw/zinc/95/77/59/886957759.db2.gz ZMXWILIGYQUSIN-VXKWHMMOSA-N 2 2 379.504 3.664 20 0 GHADLP C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000915493045 887098133 /nfs/dbraw/zinc/09/81/33/887098133.db2.gz NFOBLRSLVAVUBU-CVDCTZTESA-N 2 2 398.595 3.523 20 0 GHADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)s1 ZINC000809589804 887597672 /nfs/dbraw/zinc/59/76/72/887597672.db2.gz KWAGMBWDEARVDQ-CQSZACIVSA-N 2 2 376.595 3.920 20 0 GHADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)s1 ZINC000809589804 887597681 /nfs/dbraw/zinc/59/76/81/887597681.db2.gz KWAGMBWDEARVDQ-CQSZACIVSA-N 2 2 376.595 3.920 20 0 GHADLP COc1cccc([C@H](CNc2nc(C)[nH+]c(C)c2Br)[NH+](C)C)c1 ZINC000322889715 887656209 /nfs/dbraw/zinc/65/62/09/887656209.db2.gz MPTRJMPLEHSBRI-HNNXBMFYSA-N 2 2 379.302 3.579 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc3c(cc2Br)OCO3)cc1 ZINC000809739100 887773416 /nfs/dbraw/zinc/77/34/16/887773416.db2.gz XKKMJPANTWFZCW-UHFFFAOYSA-N 2 2 391.309 3.871 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc3c(cc2Br)OCO3)cc1 ZINC000809739100 887773431 /nfs/dbraw/zinc/77/34/31/887773431.db2.gz XKKMJPANTWFZCW-UHFFFAOYSA-N 2 2 391.309 3.871 20 0 GHADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051758660 887780623 /nfs/dbraw/zinc/78/06/23/887780623.db2.gz MCCDRTRWPNJBIJ-INIZCTEOSA-N 2 2 392.975 3.601 20 0 GHADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000287250115 913213767 /nfs/dbraw/zinc/21/37/67/913213767.db2.gz XEPVQITVQJJSQM-LAUBAEHRSA-N 2 2 391.519 3.692 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000136294484 888281921 /nfs/dbraw/zinc/28/19/21/888281921.db2.gz HENXKHYUXGZTSI-UHFFFAOYSA-N 2 2 379.386 3.782 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000136294484 888281940 /nfs/dbraw/zinc/28/19/40/888281940.db2.gz HENXKHYUXGZTSI-UHFFFAOYSA-N 2 2 379.386 3.782 20 0 GHADLP CCCn1cc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)nn1 ZINC000865448382 888359846 /nfs/dbraw/zinc/35/98/46/888359846.db2.gz DQBQRUQLQUBCND-UHFFFAOYSA-N 2 2 386.503 3.890 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000865507920 888397871 /nfs/dbraw/zinc/39/78/71/888397871.db2.gz DHBWBNMWMSNRMW-IBGZPJMESA-N 2 2 392.547 3.633 20 0 GHADLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3c(F)cc(C)cc3Cl)cn2)CC1 ZINC000459376988 888413442 /nfs/dbraw/zinc/41/34/42/888413442.db2.gz OVQHVOLGUYXROO-UHFFFAOYSA-N 2 2 376.907 3.614 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000444195214 888532806 /nfs/dbraw/zinc/53/28/06/888532806.db2.gz NOFWGHOERHBEBS-QUCCMNQESA-N 2 2 395.551 3.535 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C3CCC3)[C@H]3CCCO3)CC2)cc1 ZINC000866368303 888848594 /nfs/dbraw/zinc/84/85/94/888848594.db2.gz ZTRBXKMLWGZVJZ-DHIUTWEWSA-N 2 2 385.552 3.547 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)cc1 ZINC000287363021 913288317 /nfs/dbraw/zinc/28/83/17/913288317.db2.gz ODLGONIBNAYBTO-IEBWSBKVSA-N 2 2 392.503 3.842 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C(C)(C)C1 ZINC000866464908 888892405 /nfs/dbraw/zinc/89/24/05/888892405.db2.gz AHHXGUZBTYGCSZ-SFHVURJKSA-N 2 2 388.556 3.676 20 0 GHADLP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1OC ZINC000245588085 889021631 /nfs/dbraw/zinc/02/16/31/889021631.db2.gz KDXAEPLMALQNTC-NNMXDRDESA-N 2 2 397.563 3.778 20 0 GHADLP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1OC ZINC000245588085 889021647 /nfs/dbraw/zinc/02/16/47/889021647.db2.gz KDXAEPLMALQNTC-NNMXDRDESA-N 2 2 397.563 3.778 20 0 GHADLP CN(C(=O)Cc1ccccc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124518531 889657707 /nfs/dbraw/zinc/65/77/07/889657707.db2.gz ZQESNQZAGRIWAL-RTWAWAEBSA-N 2 2 391.987 3.678 20 0 GHADLP CN(C(=O)Cc1ccccc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124518531 889657717 /nfs/dbraw/zinc/65/77/17/889657717.db2.gz ZQESNQZAGRIWAL-RTWAWAEBSA-N 2 2 391.987 3.678 20 0 GHADLP CN(C(=O)c1cccc(Cl)c1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124572461 889679345 /nfs/dbraw/zinc/67/93/45/889679345.db2.gz PIMIHHFKZVBJCU-OALUTQOASA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1cccc(Cl)c1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124572461 889679348 /nfs/dbraw/zinc/67/93/48/889679348.db2.gz PIMIHHFKZVBJCU-OALUTQOASA-N 2 2 395.950 3.888 20 0 GHADLP Cc1cc(C)c(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c[nH+]1 ZINC000454999419 890117183 /nfs/dbraw/zinc/11/71/83/890117183.db2.gz XWQIZKIKXMFCFZ-UHFFFAOYSA-N 2 2 382.508 3.885 20 0 GHADLP C[NH+](C)CCCC(C)(C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000455026756 890182484 /nfs/dbraw/zinc/18/24/84/890182484.db2.gz TXUJDOIMEZBDKJ-UHFFFAOYSA-N 2 2 381.524 3.844 20 0 GHADLP CC[C@H](C)C[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533672527 891052481 /nfs/dbraw/zinc/05/24/81/891052481.db2.gz ONVBTVMFTDFTCX-QIJZPMMNSA-N 2 2 380.621 3.790 20 0 GHADLP CC[C@H](C)C[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533672527 891052495 /nfs/dbraw/zinc/05/24/95/891052495.db2.gz ONVBTVMFTDFTCX-QIJZPMMNSA-N 2 2 380.621 3.790 20 0 GHADLP Brc1cccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)[C@@H]2CCOC2)c1 ZINC000872022965 891121342 /nfs/dbraw/zinc/12/13/42/891121342.db2.gz AJXFWWNLZNJZDS-SJLPKXTDSA-N 2 2 378.314 3.793 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(C4CCCCC4)cc3)C2)CC1 ZINC000644895636 913537112 /nfs/dbraw/zinc/53/71/12/913537112.db2.gz NQRYNANWBYALOJ-JOCHJYFZSA-N 2 2 398.595 3.702 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(C4CCCCC4)cc3)C2)CC1 ZINC000644895636 913537119 /nfs/dbraw/zinc/53/71/19/913537119.db2.gz NQRYNANWBYALOJ-JOCHJYFZSA-N 2 2 398.595 3.702 20 0 GHADLP Fc1cc(F)c2c(c1)CC[C@H]([N@@H+]1C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C1)C2 ZINC001170696609 891285720 /nfs/dbraw/zinc/28/57/20/891285720.db2.gz FVHUEBXGKWBZIS-DYXWJJEUSA-N 2 2 383.486 3.671 20 0 GHADLP Fc1cc(F)c2c(c1)CC[C@H]([N@H+]1C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C1)C2 ZINC001170696609 891285737 /nfs/dbraw/zinc/28/57/37/891285737.db2.gz FVHUEBXGKWBZIS-DYXWJJEUSA-N 2 2 383.486 3.671 20 0 GHADLP Fc1cc(F)c2c(c1)CC[C@H]([NH+]1C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C1)C2 ZINC001170696609 891285754 /nfs/dbraw/zinc/28/57/54/891285754.db2.gz FVHUEBXGKWBZIS-DYXWJJEUSA-N 2 2 383.486 3.671 20 0 GHADLP Fc1cc(F)c2c(c1)CC[C@H]([NH+]1C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C1)C2 ZINC001170696609 891285769 /nfs/dbraw/zinc/28/57/69/891285769.db2.gz FVHUEBXGKWBZIS-DYXWJJEUSA-N 2 2 383.486 3.671 20 0 GHADLP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCOCC1 ZINC000246852601 891315684 /nfs/dbraw/zinc/31/56/84/891315684.db2.gz CQCLZLKASSPCEG-QPPBQGQZSA-N 2 2 393.575 3.938 20 0 GHADLP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCOCC1 ZINC000246852601 891315693 /nfs/dbraw/zinc/31/56/93/891315693.db2.gz CQCLZLKASSPCEG-QPPBQGQZSA-N 2 2 393.575 3.938 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000247177435 891351959 /nfs/dbraw/zinc/35/19/59/891351959.db2.gz UZWVUZPZFBDFOK-NZQKXSOJSA-N 2 2 379.548 3.630 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000247177435 891351975 /nfs/dbraw/zinc/35/19/75/891351975.db2.gz UZWVUZPZFBDFOK-NZQKXSOJSA-N 2 2 379.548 3.630 20 0 GHADLP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247885170 891398370 /nfs/dbraw/zinc/39/83/70/891398370.db2.gz CUOKMKTYMRJRNH-XMSQKQJNSA-N 2 2 380.536 3.676 20 0 GHADLP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247885170 891398387 /nfs/dbraw/zinc/39/83/87/891398387.db2.gz CUOKMKTYMRJRNH-XMSQKQJNSA-N 2 2 380.536 3.676 20 0 GHADLP CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208170 891523389 /nfs/dbraw/zinc/52/33/89/891523389.db2.gz DMQSYXLWVFWCNS-UHFFFAOYSA-N 2 2 397.466 3.873 20 0 GHADLP CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208170 891523401 /nfs/dbraw/zinc/52/34/01/891523401.db2.gz DMQSYXLWVFWCNS-UHFFFAOYSA-N 2 2 397.466 3.873 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000873328557 891586506 /nfs/dbraw/zinc/58/65/06/891586506.db2.gz SRDWPSVQTMNENH-OAQYLSRUSA-N 2 2 384.499 3.846 20 0 GHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497501685 891714056 /nfs/dbraw/zinc/71/40/56/891714056.db2.gz CKMKEMAVTJCBBL-ZCNNSNEGSA-N 2 2 389.902 3.819 20 0 GHADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497501685 891714072 /nfs/dbraw/zinc/71/40/72/891714072.db2.gz CKMKEMAVTJCBBL-ZCNNSNEGSA-N 2 2 389.902 3.819 20 0 GHADLP CCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124699615 891852088 /nfs/dbraw/zinc/85/20/88/891852088.db2.gz NRIHDGWXHIYSDK-RTBURBONSA-N 2 2 377.598 3.720 20 0 GHADLP CCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124699615 891852097 /nfs/dbraw/zinc/85/20/97/891852097.db2.gz NRIHDGWXHIYSDK-RTBURBONSA-N 2 2 377.598 3.720 20 0 GHADLP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(OC)cc1 ZINC000162024539 892017903 /nfs/dbraw/zinc/01/79/03/892017903.db2.gz HEJKSYBSYADERZ-QFIPXVFZSA-N 2 2 384.520 3.647 20 0 GHADLP CCCC1(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000162277733 892156912 /nfs/dbraw/zinc/15/69/12/892156912.db2.gz VELIJCDFTIJAJZ-WOJBJXKFSA-N 2 2 378.605 3.545 20 0 GHADLP CCCC1(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000162277733 892156921 /nfs/dbraw/zinc/15/69/21/892156921.db2.gz VELIJCDFTIJAJZ-WOJBJXKFSA-N 2 2 378.605 3.545 20 0 GHADLP CC(C)N(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000648565957 892308334 /nfs/dbraw/zinc/30/83/34/892308334.db2.gz OPUJFOLAOXUJHD-HSZRJFAPSA-N 2 2 388.515 3.997 20 0 GHADLP CC(C)N(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648565957 892308352 /nfs/dbraw/zinc/30/83/52/892308352.db2.gz OPUJFOLAOXUJHD-HSZRJFAPSA-N 2 2 388.515 3.997 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000645064558 913651274 /nfs/dbraw/zinc/65/12/74/913651274.db2.gz LWDGXOOBZPUAFS-CVDCTZTESA-N 2 2 395.522 3.868 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000645064558 913651278 /nfs/dbraw/zinc/65/12/78/913651278.db2.gz LWDGXOOBZPUAFS-CVDCTZTESA-N 2 2 395.522 3.868 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cn2c3c(sc2=O)CCCC3)CC1 ZINC000125524909 892752234 /nfs/dbraw/zinc/75/22/34/892752234.db2.gz HFVAHJPLDSGFHE-QGZVFWFLSA-N 2 2 377.598 3.723 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cn2c3c(sc2=O)CCCC3)CC1 ZINC000125524909 892752238 /nfs/dbraw/zinc/75/22/38/892752238.db2.gz HFVAHJPLDSGFHE-QGZVFWFLSA-N 2 2 377.598 3.723 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)C1 ZINC000814671475 893079017 /nfs/dbraw/zinc/07/90/17/893079017.db2.gz BVIVJOJHFWVYSU-RTBURBONSA-N 2 2 376.545 3.632 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)C1 ZINC000814671475 893079040 /nfs/dbraw/zinc/07/90/40/893079040.db2.gz BVIVJOJHFWVYSU-RTBURBONSA-N 2 2 376.545 3.632 20 0 GHADLP c1ccc(C[N@H+]2C[C@H](C[NH2+]Cc3nc4c(s3)CCC4)C3(C2)CCOCC3)cc1 ZINC000645198078 913747150 /nfs/dbraw/zinc/74/71/50/913747150.db2.gz QUSNSGWYVDYRCK-IBGZPJMESA-N 2 2 397.588 3.650 20 0 GHADLP c1ccc(C[N@@H+]2C[C@H](C[NH2+]Cc3nc4c(s3)CCC4)C3(C2)CCOCC3)cc1 ZINC000645198078 913747157 /nfs/dbraw/zinc/74/71/57/913747157.db2.gz QUSNSGWYVDYRCK-IBGZPJMESA-N 2 2 397.588 3.650 20 0 GHADLP Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000459436386 893492571 /nfs/dbraw/zinc/49/25/71/893492571.db2.gz XURXCXFSCGQTFW-UHFFFAOYSA-N 2 2 376.570 3.561 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc2c(c1)CCCC2 ZINC000444791911 893530225 /nfs/dbraw/zinc/53/02/25/893530225.db2.gz MEBGMIAMSCULSZ-SPEDKVCISA-N 2 2 394.563 3.744 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc2c(c1)CCCC2 ZINC000444791911 893530244 /nfs/dbraw/zinc/53/02/44/893530244.db2.gz MEBGMIAMSCULSZ-SPEDKVCISA-N 2 2 394.563 3.744 20 0 GHADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1)c1cccc2ccccc21 ZINC000444796431 893551021 /nfs/dbraw/zinc/55/10/21/893551021.db2.gz BPBZHZMASCNCPA-MJGOQNOKSA-N 2 2 376.504 3.630 20 0 GHADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1)c1cccc2ccccc21 ZINC000444796431 893551038 /nfs/dbraw/zinc/55/10/38/893551038.db2.gz BPBZHZMASCNCPA-MJGOQNOKSA-N 2 2 376.504 3.630 20 0 GHADLP CCOc1ccc([C@@H](O)C2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)cc1 ZINC000825955787 893562033 /nfs/dbraw/zinc/56/20/33/893562033.db2.gz SFRFFSPIHCTFNV-HSZRJFAPSA-N 2 2 392.503 3.612 20 0 GHADLP COCCCCC[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459498990 893636003 /nfs/dbraw/zinc/63/60/03/893636003.db2.gz BQLMGPOUDINBAF-UHFFFAOYSA-N 2 2 379.976 3.743 20 0 GHADLP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(=O)Nc1nccs1 ZINC000556118128 893830645 /nfs/dbraw/zinc/83/06/45/893830645.db2.gz LCFPVQVNJHPOLB-GBESFXJTSA-N 2 2 386.565 3.921 20 0 GHADLP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(=O)Nc1nccs1 ZINC000556118128 893830657 /nfs/dbraw/zinc/83/06/57/893830657.db2.gz LCFPVQVNJHPOLB-GBESFXJTSA-N 2 2 386.565 3.921 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000536864346 893960637 /nfs/dbraw/zinc/96/06/37/893960637.db2.gz QZAFHGORXCNJPL-RHSMWYFYSA-N 2 2 391.437 3.543 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000536864346 893960654 /nfs/dbraw/zinc/96/06/54/893960654.db2.gz QZAFHGORXCNJPL-RHSMWYFYSA-N 2 2 391.437 3.543 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000536864349 893961351 /nfs/dbraw/zinc/96/13/51/893961351.db2.gz QZAFHGORXCNJPL-WMLDXEAASA-N 2 2 391.437 3.543 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000536864349 893961370 /nfs/dbraw/zinc/96/13/70/893961370.db2.gz QZAFHGORXCNJPL-WMLDXEAASA-N 2 2 391.437 3.543 20 0 GHADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccccc1SC(C)(C)C ZINC000815580691 894020986 /nfs/dbraw/zinc/02/09/86/894020986.db2.gz PCUGYVYOEAUFCZ-OALUTQOASA-N 2 2 391.625 3.634 20 0 GHADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000129868327 894022250 /nfs/dbraw/zinc/02/22/50/894022250.db2.gz CPTVUJYYPRTUHU-UHFFFAOYSA-N 2 2 392.528 3.982 20 0 GHADLP CC(C)[N@@H+](C)C[C@@H](C)NC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000563786891 894190881 /nfs/dbraw/zinc/19/08/81/894190881.db2.gz QELYAYWUOMQCCA-MRXNPFEDSA-N 2 2 382.390 3.732 20 0 GHADLP CC(C)[N@H+](C)C[C@@H](C)NC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000563786891 894190886 /nfs/dbraw/zinc/19/08/86/894190886.db2.gz QELYAYWUOMQCCA-MRXNPFEDSA-N 2 2 382.390 3.732 20 0 GHADLP Brc1cccnc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000878528072 894362276 /nfs/dbraw/zinc/36/22/76/894362276.db2.gz KCTQJLDQBVZFKC-UHFFFAOYSA-N 2 2 375.314 3.757 20 0 GHADLP C[NH+](C)CCOc1cccc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)c1 ZINC000564258570 894782734 /nfs/dbraw/zinc/78/27/34/894782734.db2.gz ZWOWXGFIOIYGMK-UHFFFAOYSA-N 2 2 389.459 3.589 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248802 894929994 /nfs/dbraw/zinc/92/99/94/894929994.db2.gz URLYEWPJTKYWJW-HNNXBMFYSA-N 2 2 394.357 3.584 20 0 GHADLP O=c1c(C[NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)cccn1C(F)F ZINC000897570311 895080349 /nfs/dbraw/zinc/08/03/49/895080349.db2.gz ZIEQVAVKTGJZMP-UHFFFAOYSA-N 2 2 387.474 3.831 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C(F)(F)F)nc1 ZINC000880102461 895515835 /nfs/dbraw/zinc/51/58/35/895515835.db2.gz CLKGNDHAZJGGID-HNNXBMFYSA-N 2 2 379.426 3.783 20 0 GHADLP COc1ccc([C@@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000817922769 895962629 /nfs/dbraw/zinc/96/26/29/895962629.db2.gz LQPPFFDEDIDFOL-LQBIAYRMSA-N 2 2 380.532 3.908 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000819183926 896452500 /nfs/dbraw/zinc/45/25/00/896452500.db2.gz ULLSQJANCZWYFF-FOIQADDNSA-N 2 2 393.453 3.949 20 0 GHADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000567122028 896892864 /nfs/dbraw/zinc/89/28/64/896892864.db2.gz ZAINOLMKXZVCHL-FQEVSTJZSA-N 2 2 376.504 3.627 20 0 GHADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000567122028 896892876 /nfs/dbraw/zinc/89/28/76/896892876.db2.gz ZAINOLMKXZVCHL-FQEVSTJZSA-N 2 2 376.504 3.627 20 0 GHADLP Fc1ccc(/C=C\C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1F ZINC000567147310 896913088 /nfs/dbraw/zinc/91/30/88/896913088.db2.gz GUQAXBUASVZPNT-VWTGBZJHSA-N 2 2 397.513 3.870 20 0 GHADLP Fc1ccc(/C=C\C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1F ZINC000567147310 896913101 /nfs/dbraw/zinc/91/31/01/896913101.db2.gz GUQAXBUASVZPNT-VWTGBZJHSA-N 2 2 397.513 3.870 20 0 GHADLP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000567183543 896945102 /nfs/dbraw/zinc/94/51/02/896945102.db2.gz ASNUVSCRFWFWJH-UHFFFAOYSA-N 2 2 380.536 3.708 20 0 GHADLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000882873492 897062256 /nfs/dbraw/zinc/06/22/56/897062256.db2.gz BWDDSKWSCZNBAE-HSZRJFAPSA-N 2 2 388.515 3.653 20 0 GHADLP Cc1cn2cc(NC(=O)N3CC[N@H+](Cc4ccccc4)C[C@H](C)C3)ccc2[nH+]1 ZINC000567342399 897078562 /nfs/dbraw/zinc/07/85/62/897078562.db2.gz SROVRDAKDWIEEN-KRWDZBQOSA-N 2 2 377.492 3.629 20 0 GHADLP Cc1cn2cc(NC(=O)N3CC[N@@H+](Cc4ccccc4)C[C@H](C)C3)ccc2[nH+]1 ZINC000567342399 897078572 /nfs/dbraw/zinc/07/85/72/897078572.db2.gz SROVRDAKDWIEEN-KRWDZBQOSA-N 2 2 377.492 3.629 20 0 GHADLP Cc1cccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1C ZINC000826296289 897189312 /nfs/dbraw/zinc/18/93/12/897189312.db2.gz QDFYAMPFTKUPGF-SFHVURJKSA-N 2 2 390.535 3.799 20 0 GHADLP CC[N@@H+](Cc1cn(-c2ccccc2C)nn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000567546622 897240906 /nfs/dbraw/zinc/24/09/06/897240906.db2.gz YLYQOKFWRYNRES-UHFFFAOYSA-N 2 2 390.535 3.709 20 0 GHADLP CC[N@H+](Cc1cn(-c2ccccc2C)nn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000567546622 897240923 /nfs/dbraw/zinc/24/09/23/897240923.db2.gz YLYQOKFWRYNRES-UHFFFAOYSA-N 2 2 390.535 3.709 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)CC[N@@H+]1C ZINC000883281667 897442129 /nfs/dbraw/zinc/44/21/29/897442129.db2.gz UKOQWAVOTGNZIS-QAPCUYQASA-N 2 2 375.513 3.711 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)CC[N@H+]1C ZINC000883281667 897442137 /nfs/dbraw/zinc/44/21/37/897442137.db2.gz UKOQWAVOTGNZIS-QAPCUYQASA-N 2 2 375.513 3.711 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)CC[NH+]1C ZINC000883281667 897442141 /nfs/dbraw/zinc/44/21/41/897442141.db2.gz UKOQWAVOTGNZIS-QAPCUYQASA-N 2 2 375.513 3.711 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)CC[NH+]1C ZINC000883281667 897442145 /nfs/dbraw/zinc/44/21/45/897442145.db2.gz UKOQWAVOTGNZIS-QAPCUYQASA-N 2 2 375.513 3.711 20 0 GHADLP c1ccc(N2CCC([NH2+][C@@H]3CC4(CCOCC4)Oc4ccccc43)CC2)[nH+]c1 ZINC000883383545 897546632 /nfs/dbraw/zinc/54/66/32/897546632.db2.gz ATTPKLUDYYHOOE-HXUWFJFHSA-N 2 2 379.504 3.713 20 0 GHADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103093485 898066928 /nfs/dbraw/zinc/06/69/28/898066928.db2.gz XAWFXRLOWHPTNJ-NRFANRHFSA-N 2 2 380.536 3.660 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC(n4cc[nH+]c4)CC3)cc2)C1 ZINC000103303356 898082911 /nfs/dbraw/zinc/08/29/11/898082911.db2.gz YTLYYSPPGMMBOL-LJQANCHMSA-N 2 2 395.551 3.662 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(n4cc[nH+]c4)CC3)cc2)C1 ZINC000103303356 898082923 /nfs/dbraw/zinc/08/29/23/898082923.db2.gz YTLYYSPPGMMBOL-LJQANCHMSA-N 2 2 395.551 3.662 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC(n4cc[nH+]c4)CC3)cc2)C1 ZINC000103303358 898083145 /nfs/dbraw/zinc/08/31/45/898083145.db2.gz YTLYYSPPGMMBOL-IBGZPJMESA-N 2 2 395.551 3.662 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(n4cc[nH+]c4)CC3)cc2)C1 ZINC000103303358 898083155 /nfs/dbraw/zinc/08/31/55/898083155.db2.gz YTLYYSPPGMMBOL-IBGZPJMESA-N 2 2 395.551 3.662 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243072 898794830 /nfs/dbraw/zinc/79/48/30/898794830.db2.gz AGBBMOQJCDXHAO-ZWKOTPCHSA-N 2 2 376.504 3.939 20 0 GHADLP C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001136677144 898846499 /nfs/dbraw/zinc/84/64/99/898846499.db2.gz FPDBSZBFZHMZLZ-FQEVSTJZSA-N 2 2 391.559 3.556 20 0 GHADLP C[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)[NH+]1CCc2ccccc2C1 ZINC001136677144 898846514 /nfs/dbraw/zinc/84/65/14/898846514.db2.gz FPDBSZBFZHMZLZ-FQEVSTJZSA-N 2 2 391.559 3.556 20 0 GHADLP C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)[NH+]1CCc2ccccc2C1 ZINC001136677144 898846519 /nfs/dbraw/zinc/84/65/19/898846519.db2.gz FPDBSZBFZHMZLZ-FQEVSTJZSA-N 2 2 391.559 3.556 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(Cl)c4occc43)CC2)CC1 ZINC000823114651 898854869 /nfs/dbraw/zinc/85/48/69/898854869.db2.gz XXPPULZHDIXDPT-UHFFFAOYSA-N 2 2 389.927 3.718 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(Cl)c4occc43)CC2)CC1 ZINC000823114651 898854882 /nfs/dbraw/zinc/85/48/82/898854882.db2.gz XXPPULZHDIXDPT-UHFFFAOYSA-N 2 2 389.927 3.718 20 0 GHADLP CC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)[NH+](CC)CC ZINC001136752453 899141424 /nfs/dbraw/zinc/14/14/24/899141424.db2.gz RAQSIIIDHHYQAL-PKOBYXMFSA-N 2 2 383.939 3.680 20 0 GHADLP CC[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)[NH+](CC)CC ZINC001136752453 899141434 /nfs/dbraw/zinc/14/14/34/899141434.db2.gz RAQSIIIDHHYQAL-PKOBYXMFSA-N 2 2 383.939 3.680 20 0 GHADLP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1C ZINC000570155902 899164850 /nfs/dbraw/zinc/16/48/50/899164850.db2.gz TXOZBGQCFHZHTP-REWPJTCUSA-N 2 2 397.563 3.562 20 0 GHADLP C[C@@H]1C[C@H](C[NH2+]CCCCNc2cccc[nH+]2)CCN1C(=O)OC(C)(C)C ZINC000823781654 899246920 /nfs/dbraw/zinc/24/69/20/899246920.db2.gz FFGWWZHSZFSXOY-QZTJIDSGSA-N 2 2 376.545 3.899 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333014985 899893761 /nfs/dbraw/zinc/89/37/61/899893761.db2.gz GREHZLONQOXYNE-DLBZAZTESA-N 2 2 398.526 3.804 20 0 GHADLP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333062786 899931077 /nfs/dbraw/zinc/93/10/77/899931077.db2.gz STPMKUFGXRQRNP-QGZVFWFLSA-N 2 2 380.536 3.988 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000571969527 900024183 /nfs/dbraw/zinc/02/41/83/900024183.db2.gz WNQAWBTVYXOSQM-GHTZIAJQSA-N 2 2 388.515 3.504 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000571969527 900024189 /nfs/dbraw/zinc/02/41/89/900024189.db2.gz WNQAWBTVYXOSQM-GHTZIAJQSA-N 2 2 388.515 3.504 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4[nH]cnc4c3)C[C@H]21 ZINC001137045622 900204478 /nfs/dbraw/zinc/20/44/78/900204478.db2.gz PKKCGIABJZDEMT-JXHRLWIKSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4[nH]cnc4c3)C[C@H]21 ZINC001137045622 900204490 /nfs/dbraw/zinc/20/44/90/900204490.db2.gz PKKCGIABJZDEMT-JXHRLWIKSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4[nH]cnc4c3)C[C@H]21 ZINC001137045622 900204498 /nfs/dbraw/zinc/20/44/98/900204498.db2.gz PKKCGIABJZDEMT-JXHRLWIKSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4[nH]cnc4c3)C[C@H]21 ZINC001137045622 900204512 /nfs/dbraw/zinc/20/45/12/900204512.db2.gz PKKCGIABJZDEMT-JXHRLWIKSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4nc[nH]c4c3)C[C@H]21 ZINC001137045622 900204517 /nfs/dbraw/zinc/20/45/17/900204517.db2.gz PKKCGIABJZDEMT-JXHRLWIKSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4nc[nH]c4c3)C[C@H]21 ZINC001137045622 900204527 /nfs/dbraw/zinc/20/45/27/900204527.db2.gz PKKCGIABJZDEMT-JXHRLWIKSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4nc[nH]c4c3)C[C@H]21 ZINC001137045622 900204535 /nfs/dbraw/zinc/20/45/35/900204535.db2.gz PKKCGIABJZDEMT-JXHRLWIKSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4nc[nH]c4c3)C[C@H]21 ZINC001137045622 900204546 /nfs/dbraw/zinc/20/45/46/900204546.db2.gz PKKCGIABJZDEMT-JXHRLWIKSA-N 2 2 375.520 3.690 20 0 GHADLP O=C(NCc1[nH+]cn2ccccc12)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC001186321410 914434202 /nfs/dbraw/zinc/43/42/02/914434202.db2.gz YBSXOOAVQRFVJD-DEOSSOPVSA-N 2 2 396.494 3.578 20 0 GHADLP O=C(NCc1[nH+]cn2ccccc12)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC001186321410 914434216 /nfs/dbraw/zinc/43/42/16/914434216.db2.gz YBSXOOAVQRFVJD-DEOSSOPVSA-N 2 2 396.494 3.578 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccnc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000886265657 900911177 /nfs/dbraw/zinc/91/11/77/900911177.db2.gz NYRSGBIKOBDZNT-UHFFFAOYSA-N 2 2 379.464 3.904 20 0 GHADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000575076828 901110885 /nfs/dbraw/zinc/11/08/85/901110885.db2.gz PBYPSXVPUHTYBL-GOSISDBHSA-N 2 2 379.508 3.588 20 0 GHADLP Cc1[nH]c(C2CC[NH+](Cc3nc(COc4cc(C)cc(C)c4)no3)CC2)[nH+]c1C ZINC000886664594 901213587 /nfs/dbraw/zinc/21/35/87/901213587.db2.gz RDMFASUCWJQJCW-UHFFFAOYSA-N 2 2 395.507 3.985 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2nc3ccc(Br)cc3s2)CCCO1 ZINC000775016044 914536488 /nfs/dbraw/zinc/53/64/88/914536488.db2.gz MQLYCHZABVEUPL-CYBMUJFWSA-N 2 2 398.370 3.649 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2nc3ccc(Br)cc3s2)CCCO1 ZINC000775016044 914536494 /nfs/dbraw/zinc/53/64/94/914536494.db2.gz MQLYCHZABVEUPL-CYBMUJFWSA-N 2 2 398.370 3.649 20 0 GHADLP c1nc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)sc1C1OCCO1 ZINC000290232574 914586758 /nfs/dbraw/zinc/58/67/58/914586758.db2.gz FYDUCIUMVOJNNN-UHFFFAOYSA-N 2 2 387.549 3.854 20 0 GHADLP C[C@H](CC(=O)OC[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1)n1cc[nH+]c1 ZINC000845467193 902183895 /nfs/dbraw/zinc/18/38/95/902183895.db2.gz FIHFUYLBXDYVJO-CVEARBPZSA-N 2 2 377.435 3.568 20 0 GHADLP C[C@H](CC(=O)OC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)n1cc[nH+]c1 ZINC000845467193 902183901 /nfs/dbraw/zinc/18/39/01/902183901.db2.gz FIHFUYLBXDYVJO-CVEARBPZSA-N 2 2 377.435 3.568 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000845945372 902548093 /nfs/dbraw/zinc/54/80/93/902548093.db2.gz YNXCNHGXLIKXIR-LYBXBRPPSA-N 2 2 398.551 3.987 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)[NH+]2CCCC2)o1 ZINC000600985561 903187737 /nfs/dbraw/zinc/18/77/37/903187737.db2.gz ZEMXOEHHCCNSTD-QUCCMNQESA-N 2 2 389.927 3.797 20 0 GHADLP CN(C(=O)CCCc1ccc(C2CC2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001145064992 903424742 /nfs/dbraw/zinc/42/47/42/903424742.db2.gz JAHXJZVDPLGWSV-HSZRJFAPSA-N 2 2 383.580 3.514 20 0 GHADLP CN(C(=O)CCCc1ccc(C2CC2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001145064992 903424746 /nfs/dbraw/zinc/42/47/46/903424746.db2.gz JAHXJZVDPLGWSV-HSZRJFAPSA-N 2 2 383.580 3.514 20 0 GHADLP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001146291156 903489279 /nfs/dbraw/zinc/48/92/79/903489279.db2.gz NECCSBLGIRJGSH-KFKAGJAMSA-N 2 2 395.950 3.680 20 0 GHADLP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001146291156 903489287 /nfs/dbraw/zinc/48/92/87/903489287.db2.gz NECCSBLGIRJGSH-KFKAGJAMSA-N 2 2 395.950 3.680 20 0 GHADLP CSc1ccc([C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[NH+](C)C)cc1 ZINC000578168266 903582961 /nfs/dbraw/zinc/58/29/61/903582961.db2.gz NHXFGYIYWDXLNL-FQEVSTJZSA-N 2 2 380.517 3.627 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(Cl)cc1 ZINC001147103971 903697773 /nfs/dbraw/zinc/69/77/73/903697773.db2.gz PVLKGQAVYVRCOC-SFTDATJTSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(Cl)cc1 ZINC001147103971 903697781 /nfs/dbraw/zinc/69/77/81/903697781.db2.gz PVLKGQAVYVRCOC-SFTDATJTSA-N 2 2 385.939 3.724 20 0 GHADLP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001148698934 904158894 /nfs/dbraw/zinc/15/88/94/904158894.db2.gz YBARQXJGNXPKLV-UHFFFAOYSA-N 2 2 396.457 3.538 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000151689572 904179428 /nfs/dbraw/zinc/17/94/28/904179428.db2.gz KRRQZJYSXGZYGK-CVEARBPZSA-N 2 2 384.505 3.656 20 0 GHADLP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000712463910 904467422 /nfs/dbraw/zinc/46/74/22/904467422.db2.gz UCIDFJWOMNANDG-QGZVFWFLSA-N 2 2 391.357 3.575 20 0 GHADLP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000712463910 904467428 /nfs/dbraw/zinc/46/74/28/904467428.db2.gz UCIDFJWOMNANDG-QGZVFWFLSA-N 2 2 391.357 3.575 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4c(C)cccc4C3)CC2)cc1 ZINC001171560614 904830155 /nfs/dbraw/zinc/83/01/55/904830155.db2.gz UKTXWACVRGBBPN-QHCPKHFHSA-N 2 2 392.543 3.893 20 0 GHADLP CC(C)(C)OC(=O)N1CC=C(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000187741127 904832004 /nfs/dbraw/zinc/83/20/04/904832004.db2.gz WSUDXFNOTJYHHA-UHFFFAOYSA-N 2 2 391.478 3.560 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCOc2cc[nH+]cc2)C[C@H]1C(C)(C)C ZINC001171600176 904862825 /nfs/dbraw/zinc/86/28/25/904862825.db2.gz FDCNXDDUIMHUHT-WMZOPIPTSA-N 2 2 377.529 3.864 20 0 GHADLP Cc1cccnc1N1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171975959 905220678 /nfs/dbraw/zinc/22/06/78/905220678.db2.gz HDDFTDFCNSJPFQ-JOCHJYFZSA-N 2 2 378.564 3.955 20 0 GHADLP Cc1cccnc1N1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171975959 905220695 /nfs/dbraw/zinc/22/06/95/905220695.db2.gz HDDFTDFCNSJPFQ-JOCHJYFZSA-N 2 2 378.564 3.955 20 0 GHADLP COc1ccc(OCc2nc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cs2)cc1 ZINC000174600211 905306796 /nfs/dbraw/zinc/30/67/96/905306796.db2.gz BNLBJIAZVOPMAA-ZNXRZULTSA-N 2 2 387.549 3.836 20 0 GHADLP COc1ccc(OCc2nc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cs2)cc1 ZINC000174600211 905306814 /nfs/dbraw/zinc/30/68/14/905306814.db2.gz BNLBJIAZVOPMAA-ZNXRZULTSA-N 2 2 387.549 3.836 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(Cc3cccc(C(F)(F)F)c3)CC1)C2 ZINC001172129973 905345111 /nfs/dbraw/zinc/34/51/11/905345111.db2.gz MPMFUKUUPNOBEN-ACDBMABISA-N 2 2 381.486 3.838 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(Cc3cccc(C(F)(F)F)c3)CC1)C2 ZINC001172129973 905345120 /nfs/dbraw/zinc/34/51/20/905345120.db2.gz MPMFUKUUPNOBEN-ACDBMABISA-N 2 2 381.486 3.838 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001172215872 905420322 /nfs/dbraw/zinc/42/03/22/905420322.db2.gz MALISNXLLRKMLH-UXRJZLDDSA-N 2 2 390.955 3.719 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001172215872 905420329 /nfs/dbraw/zinc/42/03/29/905420329.db2.gz MALISNXLLRKMLH-UXRJZLDDSA-N 2 2 390.955 3.719 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)CC1 ZINC001172215872 905420334 /nfs/dbraw/zinc/42/03/34/905420334.db2.gz MALISNXLLRKMLH-UXRJZLDDSA-N 2 2 390.955 3.719 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)CC1 ZINC001172215872 905420343 /nfs/dbraw/zinc/42/03/43/905420343.db2.gz MALISNXLLRKMLH-UXRJZLDDSA-N 2 2 390.955 3.719 20 0 GHADLP COCCC[NH+]1CCC([NH2+]C(c2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC001172243524 905443683 /nfs/dbraw/zinc/44/36/83/905443683.db2.gz NIXJEHDWTYWPPR-UHFFFAOYSA-N 2 2 398.547 3.884 20 0 GHADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C[C@@H]1C ZINC001172372607 905484464 /nfs/dbraw/zinc/48/44/64/905484464.db2.gz YILRIOJMBIIVIS-UMGGQSCQSA-N 2 2 379.589 3.875 20 0 GHADLP NC(=O)C1([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001172541311 905645333 /nfs/dbraw/zinc/64/53/33/905645333.db2.gz WIQIQTPPHMMIKE-DHIUTWEWSA-N 2 2 391.559 3.823 20 0 GHADLP c1cnn(Cc2c[nH+]c3n2CC[N@@H+]([C@@H]2CCC[C@@H](c4ccccc4)C2)CC3)c1 ZINC001172544149 905649126 /nfs/dbraw/zinc/64/91/26/905649126.db2.gz RMLDGSLZHQQACP-NHCUHLMSSA-N 2 2 375.520 3.712 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+]C2CCC3(CCOCC3)CC2)cs1 ZINC001173041224 906112507 /nfs/dbraw/zinc/11/25/07/906112507.db2.gz USESDWKNVKFJIP-UHFFFAOYSA-N 2 2 383.627 3.767 20 0 GHADLP c1ccc(N([C@H]2COC3(C2)CC[NH2+]CC3)C2CCC3(CCOCC3)CC2)[nH+]c1 ZINC001173048158 906121273 /nfs/dbraw/zinc/12/12/73/906121273.db2.gz PCQJONMCFPKDSB-HXUWFJFHSA-N 2 2 385.552 3.539 20 0 GHADLP COc1cccc2c1C[C@@H]([N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1)CO2 ZINC001173165030 906222541 /nfs/dbraw/zinc/22/25/41/906222541.db2.gz BFJCJPTYLXMZOP-HXUWFJFHSA-N 2 2 384.495 3.734 20 0 GHADLP COc1cccc2c1C[C@@H]([N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1)CO2 ZINC001173165030 906222557 /nfs/dbraw/zinc/22/25/57/906222557.db2.gz BFJCJPTYLXMZOP-HXUWFJFHSA-N 2 2 384.495 3.734 20 0 GHADLP CCSC[C@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC001173296029 906357029 /nfs/dbraw/zinc/35/70/29/906357029.db2.gz PFDFWLRBJPRRMP-YWZLYKJASA-N 2 2 382.533 3.859 20 0 GHADLP CCc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000179963910 906644893 /nfs/dbraw/zinc/64/48/93/906644893.db2.gz FYTFXSVNZBXHRA-QFIPXVFZSA-N 2 2 397.544 3.618 20 0 GHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173771011 906690360 /nfs/dbraw/zinc/69/03/60/906690360.db2.gz JIWPRWBQVNHXDL-INIZCTEOSA-N 2 2 395.950 3.794 20 0 GHADLP CC(C)n1nc(-c2cc3cc(O)ccc3n2-c2cc[nH+]cc2)c2c1nc[nH+]c2N ZINC001173881152 906744285 /nfs/dbraw/zinc/74/42/85/906744285.db2.gz DBFXAWRZROKGDK-UHFFFAOYSA-N 2 2 385.431 3.701 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629657285 906935340 /nfs/dbraw/zinc/93/53/40/906935340.db2.gz VTIKPQDZRWAPDI-DYVFJYSZSA-N 2 2 386.849 3.793 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629657285 906935353 /nfs/dbraw/zinc/93/53/53/906935353.db2.gz VTIKPQDZRWAPDI-DYVFJYSZSA-N 2 2 386.849 3.793 20 0 GHADLP CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000192611462 907782950 /nfs/dbraw/zinc/78/29/50/907782950.db2.gz XWAJTJHVWUTGKT-UHFFFAOYSA-N 2 2 386.500 3.641 20 0 GHADLP Cc1nc(Nc2cccc(C[NH+]3CCCC3)c2)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001176194418 907969689 /nfs/dbraw/zinc/96/96/89/907969689.db2.gz FOLBUFLZDBAWGH-IAGOWNOFSA-N 2 2 381.524 3.738 20 0 GHADLP Cc1nc(N2C[C@@H](C)O[C@H](C)C2)cc(Nc2cccc(C[NH+]3CCCC3)c2)[nH+]1 ZINC001176194418 907969696 /nfs/dbraw/zinc/96/96/96/907969696.db2.gz FOLBUFLZDBAWGH-IAGOWNOFSA-N 2 2 381.524 3.738 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189352023 908311079 /nfs/dbraw/zinc/31/10/79/908311079.db2.gz UKVVAQCIEPRLTE-SFHVURJKSA-N 2 2 393.510 3.781 20 0 GHADLP CC[NH+](CC)C1CC[NH+](CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000067399829 908464141 /nfs/dbraw/zinc/46/41/41/908464141.db2.gz CEKMZMLECQOSIM-UHFFFAOYSA-N 2 2 397.567 3.624 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cn(C)nc3C3CCCC3)cc2)CC1 ZINC001177294119 908499268 /nfs/dbraw/zinc/49/92/68/908499268.db2.gz FZFOSNAMGZSYFE-UHFFFAOYSA-N 2 2 395.595 3.505 20 0 GHADLP CC(C)[C@H](C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccccc1 ZINC001177506431 908607277 /nfs/dbraw/zinc/60/72/77/908607277.db2.gz NKCCVDOEAILYOA-DEOSSOPVSA-N 2 2 382.548 3.927 20 0 GHADLP COc1cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc2ccccc21 ZINC001178233091 908969464 /nfs/dbraw/zinc/96/94/64/908969464.db2.gz YXHUZEMAMAFCJK-FQEVSTJZSA-N 2 2 376.504 3.996 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(SC(F)F)cc3)CC2)CC1 ZINC000195341910 908999218 /nfs/dbraw/zinc/99/92/18/908999218.db2.gz CQZMSCSQFOFEFT-UHFFFAOYSA-N 2 2 398.523 3.681 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635141470 909155176 /nfs/dbraw/zinc/15/51/76/909155176.db2.gz SSHWDUVCVXCLKB-KRWDZBQOSA-N 2 2 382.430 3.535 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccsc1 ZINC000635279652 909201802 /nfs/dbraw/zinc/20/18/02/909201802.db2.gz PXQZZWBRCWVHQS-LSDHHAIUSA-N 2 2 388.459 3.637 20 0 GHADLP Fc1cc(Br)ccc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000069747588 909701234 /nfs/dbraw/zinc/70/12/34/909701234.db2.gz BRMFSIXXSWLERT-UHFFFAOYSA-N 2 2 393.300 3.710 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638335244 910122888 /nfs/dbraw/zinc/12/28/88/910122888.db2.gz JTSFMRDVWSBQSE-FYYLOGMGSA-N 2 2 377.532 3.846 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638335244 910122900 /nfs/dbraw/zinc/12/29/00/910122900.db2.gz JTSFMRDVWSBQSE-FYYLOGMGSA-N 2 2 377.532 3.846 20 0 GHADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638439922 910153651 /nfs/dbraw/zinc/15/36/51/910153651.db2.gz GCGMUHHEOUZLOW-DENIHFKCSA-N 2 2 384.545 3.548 20 0 GHADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638439922 910153664 /nfs/dbraw/zinc/15/36/64/910153664.db2.gz GCGMUHHEOUZLOW-DENIHFKCSA-N 2 2 384.545 3.548 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3c[nH]nc3-c3ccc(F)cc3)[nH+]c2)CC1 ZINC000269147776 910161089 /nfs/dbraw/zinc/16/10/89/910161089.db2.gz OSMDGKCYTWGVGA-UHFFFAOYSA-N 2 2 394.498 3.753 20 0 GHADLP Cn1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c(C(F)(F)F)n1 ZINC000638790577 910237704 /nfs/dbraw/zinc/23/77/04/910237704.db2.gz IZTBPMVUYAUTLN-SJLPKXTDSA-N 2 2 378.442 3.897 20 0 GHADLP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c(C(F)(F)F)n1 ZINC000638790577 910237716 /nfs/dbraw/zinc/23/77/16/910237716.db2.gz IZTBPMVUYAUTLN-SJLPKXTDSA-N 2 2 378.442 3.897 20 0 GHADLP FC(F)(F)c1ncc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000639304983 910381305 /nfs/dbraw/zinc/38/13/05/910381305.db2.gz HANPSUPCMXBIQZ-SJLPKXTDSA-N 2 2 376.426 3.953 20 0 GHADLP FC(F)(F)c1ncc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000639304983 910381321 /nfs/dbraw/zinc/38/13/21/910381321.db2.gz HANPSUPCMXBIQZ-SJLPKXTDSA-N 2 2 376.426 3.953 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001182634384 911910577 /nfs/dbraw/zinc/91/05/77/911910577.db2.gz LLBIABCAEWQRPU-FHLIZLRMSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001182634384 911910588 /nfs/dbraw/zinc/91/05/88/911910588.db2.gz LLBIABCAEWQRPU-FHLIZLRMSA-N 2 2 394.357 3.773 20 0 GHADLP c1ccc([C@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)CCS2)cc1 ZINC001182764189 912010338 /nfs/dbraw/zinc/01/03/38/912010338.db2.gz KXPGWCRDDSAFSL-HSZRJFAPSA-N 2 2 398.572 3.688 20 0 GHADLP c1ccc([C@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)CCS2)cc1 ZINC001182764189 912010355 /nfs/dbraw/zinc/01/03/55/912010355.db2.gz KXPGWCRDDSAFSL-HSZRJFAPSA-N 2 2 398.572 3.688 20 0 GHADLP C[C@@H](NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1=CC[N@H+](C)CC1 ZINC000291261909 915067288 /nfs/dbraw/zinc/06/72/88/915067288.db2.gz GNDPOSZLYYAOFK-MRXNPFEDSA-N 2 2 379.508 3.658 20 0 GHADLP C[C@@H](NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1=CC[N@@H+](C)CC1 ZINC000291261909 915067309 /nfs/dbraw/zinc/06/73/09/915067309.db2.gz GNDPOSZLYYAOFK-MRXNPFEDSA-N 2 2 379.508 3.658 20 0 GHADLP Clc1ccc(OC[C@@H]2CCCO2)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647479802 915290552 /nfs/dbraw/zinc/29/05/52/915290552.db2.gz UYTAGNVHGXZIOC-UXPWSPDFSA-N 2 2 378.944 3.862 20 0 GHADLP Clc1ccc(OC[C@@H]2CCCO2)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647479802 915290564 /nfs/dbraw/zinc/29/05/64/915290564.db2.gz UYTAGNVHGXZIOC-UXPWSPDFSA-N 2 2 378.944 3.862 20 0 GHADLP CC[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000647936412 915442724 /nfs/dbraw/zinc/44/27/24/915442724.db2.gz DGKNVGGVNXOQCH-BSLALVQMSA-N 2 2 385.939 3.605 20 0 GHADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000647936412 915442731 /nfs/dbraw/zinc/44/27/31/915442731.db2.gz DGKNVGGVNXOQCH-BSLALVQMSA-N 2 2 385.939 3.605 20 0 GHADLP Cc1cc(C)c(NC(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)c(C)[nH+]1 ZINC000647977214 915460084 /nfs/dbraw/zinc/46/00/84/915460084.db2.gz GLOMFBLCIGMZSD-HXUWFJFHSA-N 2 2 381.524 3.920 20 0 GHADLP Cc1cc(C)c(NC(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC2)c(C)[nH+]1 ZINC000647977214 915460093 /nfs/dbraw/zinc/46/00/93/915460093.db2.gz GLOMFBLCIGMZSD-HXUWFJFHSA-N 2 2 381.524 3.920 20 0 GHADLP Cc1ccc(-c2nn(C)cc2C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000648029616 915487859 /nfs/dbraw/zinc/48/78/59/915487859.db2.gz OJNDLDIBAHAUTO-BGYRXZFFSA-N 2 2 376.504 3.552 20 0 GHADLP Cc1ccc(-c2nn(C)cc2C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000648029616 915487863 /nfs/dbraw/zinc/48/78/63/915487863.db2.gz OJNDLDIBAHAUTO-BGYRXZFFSA-N 2 2 376.504 3.552 20 0 GHADLP Cc1ccc(-c2nn(C)cc2C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000648029616 915487866 /nfs/dbraw/zinc/48/78/66/915487866.db2.gz OJNDLDIBAHAUTO-BGYRXZFFSA-N 2 2 376.504 3.552 20 0 GHADLP Cc1ccc(-c2nn(C)cc2C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000648029616 915487871 /nfs/dbraw/zinc/48/78/71/915487871.db2.gz OJNDLDIBAHAUTO-BGYRXZFFSA-N 2 2 376.504 3.552 20 0 GHADLP FC1(F)C(F)(F)C12CC[NH+](C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000649709607 916348837 /nfs/dbraw/zinc/34/88/37/916348837.db2.gz STTZYBXQJWKFNU-KRWDZBQOSA-N 2 2 386.433 3.644 20 0 GHADLP FC1(F)C(F)(F)C12CC[NH+](C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000649709607 916348855 /nfs/dbraw/zinc/34/88/55/916348855.db2.gz STTZYBXQJWKFNU-KRWDZBQOSA-N 2 2 386.433 3.644 20 0 GHADLP COc1ccc(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cc1Cl ZINC001190865161 917615170 /nfs/dbraw/zinc/61/51/70/917615170.db2.gz PTVZBOXRYILISG-UHFFFAOYSA-N 2 2 387.955 3.598 20 0 GHADLP COc1ccc(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cc1Cl ZINC001190865161 917615176 /nfs/dbraw/zinc/61/51/76/917615176.db2.gz PTVZBOXRYILISG-UHFFFAOYSA-N 2 2 387.955 3.598 20 0 GHADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000652970790 918069441 /nfs/dbraw/zinc/06/94/41/918069441.db2.gz GINYEGYVJHTDTA-SFTDATJTSA-N 2 2 397.567 3.514 20 0 GHADLP O[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(Br)c1 ZINC000800288855 919847459 /nfs/dbraw/zinc/84/74/59/919847459.db2.gz BIDPUWBREJOTFM-INIZCTEOSA-N 2 2 378.295 3.520 20 0 GHADLP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1nc(Br)cs1 ZINC000902502057 922242128 /nfs/dbraw/zinc/24/21/28/922242128.db2.gz LIRKZQUAIFLQGR-PLQHRBFRSA-N 2 2 394.338 3.812 20 0 GHADLP CN(C)c1nc(C[NH2+]CCCCNc2cccc[nH+]2)c(Cl)n1-c1ccccc1 ZINC000802645157 922290873 /nfs/dbraw/zinc/29/08/73/922290873.db2.gz QEDDLXMDGCVAAA-UHFFFAOYSA-N 2 2 398.942 3.969 20 0 GHADLP Cc1cc(Br)cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1OC(F)F ZINC000903955662 923432990 /nfs/dbraw/zinc/43/29/90/923432990.db2.gz YMHVKBMTUNMEDU-LLVKDONJSA-N 2 2 399.226 3.693 20 0 GHADLP COc1cc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)ccc1OCc1ccccc1 ZINC000903971339 923442775 /nfs/dbraw/zinc/44/27/75/923442775.db2.gz AHEAKZCYVQNECK-NRFANRHFSA-N 2 2 396.531 3.523 20 0 GHADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1OCc1ccccc1 ZINC000903972674 923443880 /nfs/dbraw/zinc/44/38/80/923443880.db2.gz JUURKGRISBJYJI-NRFANRHFSA-N 2 2 396.531 3.523 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2cccc(C(F)F)c2)([NH+]2CCCCC2)CC1 ZINC000369782565 923617714 /nfs/dbraw/zinc/61/77/14/923617714.db2.gz OAUNRFAVNBGZQT-UHFFFAOYSA-N 2 2 380.483 3.696 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000677750338 924477206 /nfs/dbraw/zinc/47/72/06/924477206.db2.gz BNPGUENHQWUORN-XZOQPEGZSA-N 2 2 391.559 3.678 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC000677750338 924477210 /nfs/dbraw/zinc/47/72/10/924477210.db2.gz BNPGUENHQWUORN-XZOQPEGZSA-N 2 2 391.559 3.678 20 0 GHADLP Cc1cc(C)c(C[NH+]2CCC([NH+]3CCC(NC(=O)OC(C)(C)C)CC3)CC2)[nH]1 ZINC001137332581 924722293 /nfs/dbraw/zinc/72/22/93/924722293.db2.gz ZSNYCJBALLTEAD-UHFFFAOYSA-N 2 2 390.572 3.585 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000409532752 924735758 /nfs/dbraw/zinc/73/57/58/924735758.db2.gz FKSHWYZNDUHHJK-IEBWSBKVSA-N 2 2 391.968 3.958 20 0 GHADLP CC(C)(C)C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000678927949 924975372 /nfs/dbraw/zinc/97/53/72/924975372.db2.gz NMUSCBRQJPOAMX-LEWJYISDSA-N 2 2 394.003 3.813 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1nc2ccccc2n1C ZINC000678998841 924994535 /nfs/dbraw/zinc/99/45/35/924994535.db2.gz SWTRAINMGGHQOE-UHFFFAOYSA-N 2 2 376.508 3.877 20 0 GHADLP CCSc1cc(Cl)ccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372020783 925073886 /nfs/dbraw/zinc/07/38/86/925073886.db2.gz OZRXSUSIJVIEDG-KRWDZBQOSA-N 2 2 396.000 3.693 20 0 GHADLP CCSc1cc(Cl)ccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372020783 925073895 /nfs/dbraw/zinc/07/38/95/925073895.db2.gz OZRXSUSIJVIEDG-KRWDZBQOSA-N 2 2 396.000 3.693 20 0 GHADLP C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218168 925765130 /nfs/dbraw/zinc/76/51/30/925765130.db2.gz DRLMQHWVHPIUIL-JZWVFAODSA-N 2 2 398.595 3.510 20 0 GHADLP C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218168 925765134 /nfs/dbraw/zinc/76/51/34/925765134.db2.gz DRLMQHWVHPIUIL-JZWVFAODSA-N 2 2 398.595 3.510 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3C)cc1)CCC2 ZINC000373381054 926069460 /nfs/dbraw/zinc/06/94/60/926069460.db2.gz AIGOPKRIQNEICL-HRAATJIYSA-N 2 2 379.508 3.752 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)s1 ZINC000373472701 926166857 /nfs/dbraw/zinc/16/68/57/926166857.db2.gz FVBNKXDNQJHHKJ-CRAIPNDOSA-N 2 2 384.611 3.674 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)s1 ZINC000373472704 926166988 /nfs/dbraw/zinc/16/69/88/926166988.db2.gz FVBNKXDNQJHHKJ-QAPCUYQASA-N 2 2 384.611 3.674 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000373576378 926259207 /nfs/dbraw/zinc/25/92/07/926259207.db2.gz KFVDURIKMJJZCI-UHFFFAOYSA-N 2 2 390.478 3.536 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000411629647 926584843 /nfs/dbraw/zinc/58/48/43/926584843.db2.gz DSDHPRPNWFRCAA-UHFFFAOYSA-N 2 2 398.580 3.823 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3CCCC[C@H]3C(C)(C)C)CC2)CC1 ZINC000726241359 926606852 /nfs/dbraw/zinc/60/68/52/926606852.db2.gz FLDQCDXHNTWUNR-WIYYLYMNSA-N 2 2 392.632 3.697 20 0 GHADLP CCCCOC(=O)C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000749335326 927057469 /nfs/dbraw/zinc/05/74/69/927057469.db2.gz JPNXFMFZSNWWCL-UHFFFAOYSA-N 2 2 376.545 3.542 20 0 GHADLP CCCCOC(=O)C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000749335326 927057486 /nfs/dbraw/zinc/05/74/86/927057486.db2.gz JPNXFMFZSNWWCL-UHFFFAOYSA-N 2 2 376.545 3.542 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000751083792 928019733 /nfs/dbraw/zinc/01/97/33/928019733.db2.gz DEPOUXQAUFXRHB-YLJYHZDGSA-N 2 2 396.535 3.559 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000751083792 928019746 /nfs/dbraw/zinc/01/97/46/928019746.db2.gz DEPOUXQAUFXRHB-YLJYHZDGSA-N 2 2 396.535 3.559 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000751482214 928214429 /nfs/dbraw/zinc/21/44/29/928214429.db2.gz JKWQFIKBMAQAQW-QGZVFWFLSA-N 2 2 381.524 3.607 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543988820 928651789 /nfs/dbraw/zinc/65/17/89/928651789.db2.gz IZYSAVFMZFETBZ-NRFANRHFSA-N 2 2 384.524 3.801 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000544656179 929394551 /nfs/dbraw/zinc/39/45/51/929394551.db2.gz YTWJFEBFWSTPMD-SIKLNZKXSA-N 2 2 397.567 3.613 20 0 GHADLP CCOc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc(Br)c1OC(F)F ZINC000469852572 930207038 /nfs/dbraw/zinc/20/70/38/930207038.db2.gz HGSBMHFOHXWQIB-CMPLNLGQSA-N 2 2 393.272 3.618 20 0 GHADLP CCOc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc(Br)c1OC(F)F ZINC000469852572 930207043 /nfs/dbraw/zinc/20/70/43/930207043.db2.gz HGSBMHFOHXWQIB-CMPLNLGQSA-N 2 2 393.272 3.618 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNc1cc[nH+]c(N2CCCCC2)n1 ZINC000546760861 930410504 /nfs/dbraw/zinc/41/05/04/930410504.db2.gz PAACIGPGRYPOAD-UHFFFAOYSA-N 2 2 391.519 3.726 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1cc[nH+]c(N2CCCCC2)n1 ZINC000546760861 930410506 /nfs/dbraw/zinc/41/05/06/930410506.db2.gz PAACIGPGRYPOAD-UHFFFAOYSA-N 2 2 391.519 3.726 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000470362526 930561856 /nfs/dbraw/zinc/56/18/56/930561856.db2.gz DRHRQFMMSOYSOP-VQTJNVASSA-N 2 2 387.886 3.648 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000470362526 930561866 /nfs/dbraw/zinc/56/18/66/930561866.db2.gz DRHRQFMMSOYSOP-VQTJNVASSA-N 2 2 387.886 3.648 20 0 GHADLP CC(C)[C@@H](C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccccn1)N1CC[NH+](C)CC1 ZINC000924630268 931455543 /nfs/dbraw/zinc/45/55/43/931455543.db2.gz AEYUWIMIJFPQJZ-YADHBBJMSA-N 2 2 386.971 3.686 20 0 GHADLP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CCCc3c(Cl)ccnc32)c2ccccc2)CC1 ZINC000924928016 931588119 /nfs/dbraw/zinc/58/81/19/931588119.db2.gz NTCRAPWBJOWVBN-LEWJYISDSA-N 2 2 384.955 3.691 20 0 GHADLP C[NH+](C)CCOc1cc(C[NH2+][C@H](c2ccc(Cl)cc2)c2ccccn2)ccn1 ZINC000925654613 931864770 /nfs/dbraw/zinc/86/47/70/931864770.db2.gz SCEXPPIOKLFTLB-JOCHJYFZSA-N 2 2 396.922 3.950 20 0 GHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000558460203 932014198 /nfs/dbraw/zinc/01/41/98/932014198.db2.gz POKNGFZLVWVPRD-PXAZEXFGSA-N 2 2 379.957 3.878 20 0 GHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000558460203 932014204 /nfs/dbraw/zinc/01/42/04/932014204.db2.gz POKNGFZLVWVPRD-PXAZEXFGSA-N 2 2 379.957 3.878 20 0 GHADLP CC(C)COC(=O)N1CCC([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000796760340 932057620 /nfs/dbraw/zinc/05/76/20/932057620.db2.gz KPBCXZURWSALRD-SFHVURJKSA-N 2 2 375.557 3.962 20 0 GHADLP C[C@H](CC[NH2+][C@@H](C)c1cnccc1NC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000796935600 932114197 /nfs/dbraw/zinc/11/41/97/932114197.db2.gz HSYGVBVFZGKXEQ-SJORKVTESA-N 2 2 376.545 3.766 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@H](C2CCCC2)C1 ZINC000926448815 932188885 /nfs/dbraw/zinc/18/88/85/932188885.db2.gz CETRLRGJXIMVIG-SQNIBIBYSA-N 2 2 388.556 3.672 20 0 GHADLP C[C@H]1Cc2ccccc2N1C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000558736819 932203190 /nfs/dbraw/zinc/20/31/90/932203190.db2.gz VLGZSCRDFIYDOT-WMZHIEFXSA-N 2 2 391.559 3.855 20 0 GHADLP C[C@H]1Cc2ccccc2N1C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000558736819 932203195 /nfs/dbraw/zinc/20/31/95/932203195.db2.gz VLGZSCRDFIYDOT-WMZHIEFXSA-N 2 2 391.559 3.855 20 0 GHADLP C[NH+]1CCC2(CCC[N@H+](CCS(=O)(=O)c3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000799178899 932901029 /nfs/dbraw/zinc/90/10/29/932901029.db2.gz QCPLPZHGCRNPNW-UHFFFAOYSA-N 2 2 392.609 3.566 20 0 GHADLP C[NH+]1CCC2(CCC[N@@H+](CCS(=O)(=O)c3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000799178899 932901033 /nfs/dbraw/zinc/90/10/33/932901033.db2.gz QCPLPZHGCRNPNW-UHFFFAOYSA-N 2 2 392.609 3.566 20 0 GHADLP Ic1cccc(C[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000560049911 933034879 /nfs/dbraw/zinc/03/48/79/933034879.db2.gz VMFXRFIJIZNEID-UHFFFAOYSA-N 2 2 381.261 3.668 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C(F)(F)F)cn1 ZINC000560158963 933099191 /nfs/dbraw/zinc/09/91/91/933099191.db2.gz CVBCLYQRTWQJIQ-UHFFFAOYSA-N 3 2 398.517 3.729 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C(F)(F)F)cn1 ZINC000560158963 933099209 /nfs/dbraw/zinc/09/92/09/933099209.db2.gz CVBCLYQRTWQJIQ-UHFFFAOYSA-N 3 2 398.517 3.729 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC001116071023 933318407 /nfs/dbraw/zinc/31/84/07/933318407.db2.gz NGVKEOVFCLWDRI-UHFFFAOYSA-N 2 2 395.850 3.608 20 0 GHADLP CC(C)[C@@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[NH+]1CCCCC1 ZINC000560595943 933371639 /nfs/dbraw/zinc/37/16/39/933371639.db2.gz OJRVOCYQEKPVJK-AEFFLSMTSA-N 2 2 378.586 3.824 20 0 GHADLP CC(C)[C@@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[NH+]1CCCCC1 ZINC000560595943 933371647 /nfs/dbraw/zinc/37/16/47/933371647.db2.gz OJRVOCYQEKPVJK-AEFFLSMTSA-N 2 2 378.586 3.824 20 0 GHADLP CC(C)[C@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)[NH+]1CCCCC1 ZINC000560595945 933372087 /nfs/dbraw/zinc/37/20/87/933372087.db2.gz OJRVOCYQEKPVJK-FUHWJXTLSA-N 2 2 378.586 3.824 20 0 GHADLP CC(C)[C@H](C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)[NH+]1CCCCC1 ZINC000560595945 933372096 /nfs/dbraw/zinc/37/20/96/933372096.db2.gz OJRVOCYQEKPVJK-FUHWJXTLSA-N 2 2 378.586 3.824 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+]C3[C@@H](C)CCC[C@@H]3C)n2)CC1 ZINC001117990915 934072826 /nfs/dbraw/zinc/07/28/26/934072826.db2.gz FZTNVIZVZXUEDF-HOTGVXAUSA-N 2 2 378.586 3.728 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC001117992952 934073097 /nfs/dbraw/zinc/07/30/97/934073097.db2.gz JMHPLCZQBMWPRC-NLPWIYRPSA-N 4 2 394.692 3.727 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC001117992952 934073105 /nfs/dbraw/zinc/07/31/05/934073105.db2.gz JMHPLCZQBMWPRC-NLPWIYRPSA-N 4 2 394.692 3.727 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC001117992952 934073109 /nfs/dbraw/zinc/07/31/09/934073109.db2.gz JMHPLCZQBMWPRC-NLPWIYRPSA-N 4 2 394.692 3.727 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC001117992952 934073120 /nfs/dbraw/zinc/07/31/20/934073120.db2.gz JMHPLCZQBMWPRC-NLPWIYRPSA-N 2 2 394.692 3.727 20 0 GHADLP C[NH+](C)C1(C)CCN(Cc2cccc(C[NH+]3CCC(C)([NH+](C)C)CC3)c2)CC1 ZINC000931354276 934517577 /nfs/dbraw/zinc/51/75/77/934517577.db2.gz IJVQKNYJQUEFSI-UHFFFAOYSA-N 3 2 386.628 3.519 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CCCCC1 ZINC000561938173 934573502 /nfs/dbraw/zinc/57/35/02/934573502.db2.gz IMEXFPPBBOBUIZ-MRXNPFEDSA-N 2 2 378.586 3.872 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000562047187 934657060 /nfs/dbraw/zinc/65/70/60/934657060.db2.gz PLOGTFCYIOTREO-FCHUYYIVSA-N 2 2 382.458 3.994 20 0 GHADLP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000562206055 934758787 /nfs/dbraw/zinc/75/87/87/934758787.db2.gz LEVZQENIZYEQAE-PUWPPSGDSA-N 2 2 393.522 3.793 20 0 GHADLP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000562206055 934758790 /nfs/dbraw/zinc/75/87/90/934758790.db2.gz LEVZQENIZYEQAE-PUWPPSGDSA-N 2 2 393.522 3.793 20 0 GHADLP C[C@@H]1[NH2+]CCn2c(C(=O)Nc3ccc(-c4[nH+]cc5n4CCCC5)cc3)ccc21 ZINC001121989331 934798968 /nfs/dbraw/zinc/79/89/68/934798968.db2.gz SRFHCEUVQXNSOV-HNNXBMFYSA-N 2 2 375.476 3.604 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(F)c1F)CC2 ZINC001137869418 935835004 /nfs/dbraw/zinc/83/50/04/935835004.db2.gz NUMYDTGHIWMBPA-KRWDZBQOSA-N 2 2 394.437 3.952 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(F)c1F)CC2 ZINC001137869418 935835007 /nfs/dbraw/zinc/83/50/07/935835007.db2.gz NUMYDTGHIWMBPA-KRWDZBQOSA-N 2 2 394.437 3.952 20 0 GHADLP COc1ccc(F)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001137992233 935912990 /nfs/dbraw/zinc/91/29/90/935912990.db2.gz NGOMDGWPXHHNRM-UHFFFAOYSA-N 2 2 390.524 3.763 20 0 GHADLP COc1ccc(F)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001137992233 935912992 /nfs/dbraw/zinc/91/29/92/935912992.db2.gz NGOMDGWPXHHNRM-UHFFFAOYSA-N 2 2 390.524 3.763 20 0 GHADLP Cc1cccc(C)c1[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000545502425 1015953181 /nfs/dbraw/zinc/95/31/81/1015953181.db2.gz DUGFAAZNBYXZDN-FQEVSTJZSA-N 2 2 386.584 3.614 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000469765652 1016617771 /nfs/dbraw/zinc/61/77/71/1016617771.db2.gz UUNXUAPYNYIQDW-HOTGVXAUSA-N 2 2 387.474 3.650 20 0 GHADLP CCC(CC)[C@H](CNC(=O)N1CCC(Nc2cccc[nH+]2)CC1)[NH+]1CCCC1 ZINC001220984296 1032223828 /nfs/dbraw/zinc/22/38/28/1032223828.db2.gz LQCDYPGFQAXFAI-FQEVSTJZSA-N 2 2 387.572 3.568 20 0 GHADLP Cc1sc2nc(C[NH+]3CCCC3)nc(-n3c[nH+]cc3C3CC[NH2+]CC3)c2c1C ZINC001155063449 1032398684 /nfs/dbraw/zinc/39/86/84/1032398684.db2.gz BBHSMHJUSXRUIO-UHFFFAOYSA-N 3 2 396.564 3.557 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1-n1cccn1 ZINC000560162482 1017562935 /nfs/dbraw/zinc/56/29/35/1017562935.db2.gz BSHHULSGPLWGTQ-RBBKRZOGSA-N 2 2 390.531 3.814 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1-n1cccn1 ZINC000560162482 1017562954 /nfs/dbraw/zinc/56/29/54/1017562954.db2.gz BSHHULSGPLWGTQ-RBBKRZOGSA-N 2 2 390.531 3.814 20 0 GHADLP CCCCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000560584204 1017671101 /nfs/dbraw/zinc/67/11/01/1017671101.db2.gz JACYCGXNLHSNSY-LBFURVHYSA-N 2 2 387.568 3.600 20 0 GHADLP CCCCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000560584204 1017671104 /nfs/dbraw/zinc/67/11/04/1017671104.db2.gz JACYCGXNLHSNSY-LBFURVHYSA-N 2 2 387.568 3.600 20 0 GHADLP Cc1cn2c(nc(C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc2=O)s1 ZINC000929805581 1017743256 /nfs/dbraw/zinc/74/32/56/1017743256.db2.gz DDRVFDZYBHTRAC-JXFKEZNVSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1cn2c(nc(C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cc2=O)s1 ZINC000929805581 1017743267 /nfs/dbraw/zinc/74/32/67/1017743267.db2.gz DDRVFDZYBHTRAC-JXFKEZNVSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1cn2c(nc(C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cc2=O)s1 ZINC000929805581 1017743280 /nfs/dbraw/zinc/74/32/80/1017743280.db2.gz DDRVFDZYBHTRAC-JXFKEZNVSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1cn2c(nc(C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cc2=O)s1 ZINC000929805581 1017743295 /nfs/dbraw/zinc/74/32/95/1017743295.db2.gz DDRVFDZYBHTRAC-JXFKEZNVSA-N 2 2 396.560 3.549 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccccc1OCc1ccccc1)CC2 ZINC001204332362 1032775711 /nfs/dbraw/zinc/77/57/11/1032775711.db2.gz NUIPSKHDVQFDLK-UHFFFAOYSA-N 2 2 379.504 3.896 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CC[NH+](C)[C@@H](c4ccccc4)C3)c2)CCO1 ZINC000564230730 1019035850 /nfs/dbraw/zinc/03/58/50/1019035850.db2.gz GZVJXLFCMUMQNI-NIJXNBFTSA-N 3 2 393.575 3.832 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[NH+](C)[C@@H](c4ccccc4)C3)c2)CCO1 ZINC000564230730 1019035863 /nfs/dbraw/zinc/03/58/63/1019035863.db2.gz GZVJXLFCMUMQNI-NIJXNBFTSA-N 3 2 393.575 3.832 20 0 GHADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)c2)CCO1 ZINC000564230730 1019035874 /nfs/dbraw/zinc/03/58/74/1019035874.db2.gz GZVJXLFCMUMQNI-NIJXNBFTSA-N 3 2 393.575 3.832 20 0 GHADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)c2)CCO1 ZINC000564230730 1019035888 /nfs/dbraw/zinc/03/58/88/1019035888.db2.gz GZVJXLFCMUMQNI-NIJXNBFTSA-N 3 2 393.575 3.832 20 0 GHADLP CC(C)(C)c1ccc(C[N@@H+]2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC001204396944 1032821859 /nfs/dbraw/zinc/82/18/59/1032821859.db2.gz CGUVIDSCGSYKNZ-UHFFFAOYSA-N 2 2 394.563 3.543 20 0 GHADLP CC(C)(C)c1ccc(C[N@H+]2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC001204396944 1032821877 /nfs/dbraw/zinc/82/18/77/1032821877.db2.gz CGUVIDSCGSYKNZ-UHFFFAOYSA-N 2 2 394.563 3.543 20 0 GHADLP C[N@H+](CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CCCC1 ZINC000567534598 1019306445 /nfs/dbraw/zinc/30/64/45/1019306445.db2.gz RLXOUUJGTKBDRH-UHFFFAOYSA-N 2 2 381.524 3.882 20 0 GHADLP C[N@@H+](CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CCCC1 ZINC000567534598 1019306454 /nfs/dbraw/zinc/30/64/54/1019306454.db2.gz RLXOUUJGTKBDRH-UHFFFAOYSA-N 2 2 381.524 3.882 20 0 GHADLP CC(C)Oc1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)cc1 ZINC001204454210 1032899287 /nfs/dbraw/zinc/89/92/87/1032899287.db2.gz FOUBIFGANUYSEA-UHFFFAOYSA-N 2 2 382.552 3.838 20 0 GHADLP CC(C)Oc1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)cc1 ZINC001204454210 1032899298 /nfs/dbraw/zinc/89/92/98/1032899298.db2.gz FOUBIFGANUYSEA-UHFFFAOYSA-N 2 2 382.552 3.838 20 0 GHADLP C[NH+](C)C1(CNC(F)(F)c2ccc3ccnc(Cl)c3c2)CC[NH+](C)CC1 ZINC001156181858 1032914860 /nfs/dbraw/zinc/91/48/60/1032914860.db2.gz GTSDSNWDMQZERH-UHFFFAOYSA-N 2 2 382.886 3.553 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])c3c(F)cccc3F)cc2)C1 ZINC000645500679 1021123943 /nfs/dbraw/zinc/12/39/43/1021123943.db2.gz HYWBYTNZCHTCFS-VFNWGFHPSA-N 2 2 387.474 3.513 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])c3c(F)cccc3F)cc2)C1 ZINC000645500679 1021123945 /nfs/dbraw/zinc/12/39/45/1021123945.db2.gz HYWBYTNZCHTCFS-VFNWGFHPSA-N 2 2 387.474 3.513 20 0 GHADLP CC[C@@H]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001228543042 1032977884 /nfs/dbraw/zinc/97/78/84/1032977884.db2.gz PNRUMFPPHBLRGN-UGESXGAOSA-N 2 2 392.632 3.791 20 0 GHADLP CC[C@@H]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001228543042 1032977886 /nfs/dbraw/zinc/97/78/86/1032977886.db2.gz PNRUMFPPHBLRGN-UGESXGAOSA-N 2 2 392.632 3.791 20 0 GHADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cn(C(=O)OC(C)(C)C)c4cc(OC)ccc34)C[C@H]2C1 ZINC001140370888 1021511836 /nfs/dbraw/zinc/51/18/36/1021511836.db2.gz LSOBPZFMPSPMLM-IAGOWNOFSA-N 2 2 399.535 3.817 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4ccc5c(c4)CCC5)CC[C@@H]3C2)cs1 ZINC001203030268 1021527487 /nfs/dbraw/zinc/52/74/87/1021527487.db2.gz HYULPSJKAWLECU-FYYLOGMGSA-N 2 2 397.588 3.663 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4ccc5c(c4)CCC5)CC[C@@H]3C2)cs1 ZINC001203030268 1021527496 /nfs/dbraw/zinc/52/74/96/1021527496.db2.gz HYULPSJKAWLECU-FYYLOGMGSA-N 2 2 397.588 3.663 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4ccc5c(c4)CCC5)CC[C@@H]3C2)cs1 ZINC001203030268 1021527509 /nfs/dbraw/zinc/52/75/09/1021527509.db2.gz HYULPSJKAWLECU-FYYLOGMGSA-N 2 2 397.588 3.663 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4ccc5c(c4)CCC5)CC[C@@H]3C2)cs1 ZINC001203030268 1021527525 /nfs/dbraw/zinc/52/75/25/1021527525.db2.gz HYULPSJKAWLECU-FYYLOGMGSA-N 2 2 397.588 3.663 20 0 GHADLP Brc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)[C@H]2CCCO2)cc1 ZINC000679333308 1021989209 /nfs/dbraw/zinc/98/92/09/1021989209.db2.gz IZAWOCQIAHVJGH-QZTJIDSGSA-N 2 2 378.314 3.936 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CC[NH+](C[C@H]5CCCO5)CC4)[C@@H]3C2)cc1 ZINC000679721366 1022042749 /nfs/dbraw/zinc/04/27/49/1022042749.db2.gz LMZSKCZXRSAFNJ-QVQNZMNRSA-N 3 2 397.607 3.520 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CC[NH+](C[C@H]5CCCO5)CC4)[C@@H]3C2)cc1 ZINC000679721366 1022042760 /nfs/dbraw/zinc/04/27/60/1022042760.db2.gz LMZSKCZXRSAFNJ-QVQNZMNRSA-N 3 2 397.607 3.520 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1csc3ccccc13)CCC2 ZINC001140636180 1022124521 /nfs/dbraw/zinc/12/45/21/1022124521.db2.gz NVCYYRWOFBCOIZ-UHFFFAOYSA-N 2 2 396.560 3.704 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1csc3ccccc13)CCC2 ZINC001140636180 1022124527 /nfs/dbraw/zinc/12/45/27/1022124527.db2.gz NVCYYRWOFBCOIZ-UHFFFAOYSA-N 2 2 396.560 3.704 20 0 GHADLP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1csc3ccccc13)CCC2 ZINC001140636180 1022124538 /nfs/dbraw/zinc/12/45/38/1022124538.db2.gz NVCYYRWOFBCOIZ-UHFFFAOYSA-N 2 2 396.560 3.704 20 0 GHADLP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](Cc1csc3ccccc13)CCC2 ZINC001140636180 1022124545 /nfs/dbraw/zinc/12/45/45/1022124545.db2.gz NVCYYRWOFBCOIZ-UHFFFAOYSA-N 2 2 396.560 3.704 20 0 GHADLP Cc1cccc(N2CCC[C@@]3(C2)C[N@H+](Cc2c[nH]c4cc[nH+]cc24)CCO3)c1 ZINC001140802684 1022571136 /nfs/dbraw/zinc/57/11/36/1022571136.db2.gz AUSLLLFCSCGTCA-QHCPKHFHSA-N 2 2 376.504 3.743 20 0 GHADLP Cc1cccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2c[nH]c4cc[nH+]cc24)CCO3)c1 ZINC001140802684 1022571149 /nfs/dbraw/zinc/57/11/49/1022571149.db2.gz AUSLLLFCSCGTCA-QHCPKHFHSA-N 2 2 376.504 3.743 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC)cc1Cl)C2 ZINC001140819216 1022623271 /nfs/dbraw/zinc/62/32/71/1022623271.db2.gz OEHXZYDGVZEYEF-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC)cc1Cl)C2 ZINC001140819216 1022623278 /nfs/dbraw/zinc/62/32/78/1022623278.db2.gz OEHXZYDGVZEYEF-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OC)cc1Cl)C2 ZINC001140819216 1022623283 /nfs/dbraw/zinc/62/32/83/1022623283.db2.gz OEHXZYDGVZEYEF-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OC)cc1Cl)C2 ZINC001140819216 1022623288 /nfs/dbraw/zinc/62/32/88/1022623288.db2.gz OEHXZYDGVZEYEF-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP C[N@H+](Cc1ccccc1Br)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140968557 1023031897 /nfs/dbraw/zinc/03/18/97/1023031897.db2.gz NUUQWNUZGKUWOZ-UHFFFAOYSA-N 2 2 388.353 3.833 20 0 GHADLP C[N@@H+](Cc1ccccc1Br)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140968557 1023031909 /nfs/dbraw/zinc/03/19/09/1023031909.db2.gz NUUQWNUZGKUWOZ-UHFFFAOYSA-N 2 2 388.353 3.833 20 0 GHADLP c1cc(-c2ccccn2)sc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001140999990 1023137741 /nfs/dbraw/zinc/13/77/41/1023137741.db2.gz NZCFVJOMPFZJEI-ROUUACIJSA-N 2 2 376.529 3.769 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccc3c(c1)OCCO3)CC2 ZINC001141037504 1023349906 /nfs/dbraw/zinc/34/99/06/1023349906.db2.gz QNZDUNWGLUHXBR-UHFFFAOYSA-N 2 2 397.519 3.693 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccc3c(c1)OCCO3)CC2 ZINC001141037504 1023349920 /nfs/dbraw/zinc/34/99/20/1023349920.db2.gz QNZDUNWGLUHXBR-UHFFFAOYSA-N 2 2 397.519 3.693 20 0 GHADLP C[NH2+][C@H]1CCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001156659637 1033162923 /nfs/dbraw/zinc/16/29/23/1033162923.db2.gz IZPYNVIFRNXZDP-KBXCAEBGSA-N 2 2 385.581 3.558 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1=S ZINC000756885977 1023847188 /nfs/dbraw/zinc/84/71/88/1023847188.db2.gz LAINSRIYGYYILA-OKZBNKHCSA-N 2 2 395.617 3.685 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1=S ZINC000756885977 1023847195 /nfs/dbraw/zinc/84/71/95/1023847195.db2.gz LAINSRIYGYYILA-OKZBNKHCSA-N 2 2 395.617 3.685 20 0 GHADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(-c2ccccc2C(F)(F)F)o1 ZINC001204963031 1033185362 /nfs/dbraw/zinc/18/53/62/1033185362.db2.gz PFNXNYBQOLKAAD-UHFFFAOYSA-N 2 2 381.442 3.645 20 0 GHADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(-c2ccccc2C(F)(F)F)o1 ZINC001204963031 1033185374 /nfs/dbraw/zinc/18/53/74/1033185374.db2.gz PFNXNYBQOLKAAD-UHFFFAOYSA-N 2 2 381.442 3.645 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001138508353 1024945427 /nfs/dbraw/zinc/94/54/27/1024945427.db2.gz VMDBRMUGAIXWIZ-NRFANRHFSA-N 2 2 376.504 3.905 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001138508353 1024945430 /nfs/dbraw/zinc/94/54/30/1024945430.db2.gz VMDBRMUGAIXWIZ-NRFANRHFSA-N 2 2 376.504 3.905 20 0 GHADLP CCCc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)OCC)C3)CC2)s1 ZINC001138525679 1024964555 /nfs/dbraw/zinc/96/45/55/1024964555.db2.gz IXWDEPIZGAGOQM-KRWDZBQOSA-N 2 2 378.582 3.940 20 0 GHADLP CCCc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)OCC)C3)CC2)s1 ZINC001138525679 1024964559 /nfs/dbraw/zinc/96/45/59/1024964559.db2.gz IXWDEPIZGAGOQM-KRWDZBQOSA-N 2 2 378.582 3.940 20 0 GHADLP Cc1nc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001141432672 1025035599 /nfs/dbraw/zinc/03/55/99/1025035599.db2.gz GYMQSVKNDWSUNT-KDURUIRLSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1nc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001141432672 1025035611 /nfs/dbraw/zinc/03/56/11/1025035611.db2.gz GYMQSVKNDWSUNT-KDURUIRLSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1nc(C(F)(F)F)ccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001141432672 1025035619 /nfs/dbraw/zinc/03/56/19/1025035619.db2.gz GYMQSVKNDWSUNT-KDURUIRLSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1nc(C(F)(F)F)ccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001141432672 1025035624 /nfs/dbraw/zinc/03/56/24/1025035624.db2.gz GYMQSVKNDWSUNT-KDURUIRLSA-N 2 2 375.438 3.973 20 0 GHADLP CCOc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc(Br)c1O ZINC000838908549 1025434922 /nfs/dbraw/zinc/43/49/22/1025434922.db2.gz FZBHQDMPXVOFTH-MRXNPFEDSA-N 2 2 396.329 3.954 20 0 GHADLP Fc1ccc(OCC2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC001139058756 1025846093 /nfs/dbraw/zinc/84/60/93/1025846093.db2.gz ALJNYDBXXFUONO-UHFFFAOYSA-N 2 2 398.522 3.949 20 0 GHADLP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](C[NH+](Cc4ccc(Oc5ncccn5)cc4)C3)C2)c1 ZINC001139079806 1025894840 /nfs/dbraw/zinc/89/48/40/1025894840.db2.gz HWOMQLZVJYGHMD-BGYRXZFFSA-N 2 2 390.487 3.816 20 0 GHADLP c1coc(C[N@H+]2C[C@@H]3C[C@@H](C[NH+](Cc4ccc(Oc5ncccn5)cc4)C3)C2)c1 ZINC001139079806 1025894857 /nfs/dbraw/zinc/89/48/57/1025894857.db2.gz HWOMQLZVJYGHMD-BGYRXZFFSA-N 2 2 390.487 3.816 20 0 GHADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@H+](Cc2ccc(Oc4ncccn4)cc2)C3)c1 ZINC001139079806 1025894876 /nfs/dbraw/zinc/89/48/76/1025894876.db2.gz HWOMQLZVJYGHMD-BGYRXZFFSA-N 2 2 390.487 3.816 20 0 GHADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@@H+](Cc2ccc(Oc4ncccn4)cc2)C3)c1 ZINC001139079806 1025894901 /nfs/dbraw/zinc/89/49/01/1025894901.db2.gz HWOMQLZVJYGHMD-BGYRXZFFSA-N 2 2 390.487 3.816 20 0 GHADLP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1 ZINC001162737608 1025898865 /nfs/dbraw/zinc/89/88/65/1025898865.db2.gz QWMUBFACHVQTKU-HXUWFJFHSA-N 2 2 380.492 3.773 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(N3CCC(O)CC3)s2)C2CCCC2)CC1 ZINC001139295204 1026146822 /nfs/dbraw/zinc/14/68/22/1026146822.db2.gz SITXSIAZSAHQMK-UHFFFAOYSA-N 2 2 377.598 3.548 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(N3CCC(O)CC3)s2)C2CCCC2)CC1 ZINC001139295204 1026146830 /nfs/dbraw/zinc/14/68/30/1026146830.db2.gz SITXSIAZSAHQMK-UHFFFAOYSA-N 2 2 377.598 3.548 20 0 GHADLP COc1ccc2c(c1)c(C[N@@H+]1CC[C@@]3(CC[NH+](C)C3)C1)cn2C(=O)OC(C)(C)C ZINC001139297856 1026150345 /nfs/dbraw/zinc/15/03/45/1026150345.db2.gz LMUKZFAGMILPOX-HSZRJFAPSA-N 2 2 399.535 3.961 20 0 GHADLP COc1ccc2c(c1)c(C[N@H+]1CC[C@@]3(CC[NH+](C)C3)C1)cn2C(=O)OC(C)(C)C ZINC001139297856 1026150352 /nfs/dbraw/zinc/15/03/52/1026150352.db2.gz LMUKZFAGMILPOX-HSZRJFAPSA-N 2 2 399.535 3.961 20 0 GHADLP COc1ccc2c(c1)c(C[NH+]1CC[C@@]3(CC[N@H+](C)C3)C1)cn2C(=O)OC(C)(C)C ZINC001139297856 1026150356 /nfs/dbraw/zinc/15/03/56/1026150356.db2.gz LMUKZFAGMILPOX-HSZRJFAPSA-N 2 2 399.535 3.961 20 0 GHADLP COc1ccc2c(c1)c(C[NH+]1CC[C@@]3(CC[N@@H+](C)C3)C1)cn2C(=O)OC(C)(C)C ZINC001139297856 1026150367 /nfs/dbraw/zinc/15/03/67/1026150367.db2.gz LMUKZFAGMILPOX-HSZRJFAPSA-N 2 2 399.535 3.961 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]3c3ccccc3Cl)s2)CC1 ZINC001139325044 1026184902 /nfs/dbraw/zinc/18/49/02/1026184902.db2.gz ZMODKKDLQTXLBH-SFHVURJKSA-N 2 2 376.957 3.885 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]3c3ccccc3Cl)s2)CC1 ZINC001139325044 1026184910 /nfs/dbraw/zinc/18/49/10/1026184910.db2.gz ZMODKKDLQTXLBH-SFHVURJKSA-N 2 2 376.957 3.885 20 0 GHADLP COc1cccc(C(=O)C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC001139356221 1026228274 /nfs/dbraw/zinc/22/82/74/1026228274.db2.gz JTFDHNQGSXKEOO-UHFFFAOYSA-N 2 2 375.472 3.976 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]12CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139356934 1026229318 /nfs/dbraw/zinc/22/93/18/1026229318.db2.gz TYIXSLJPCJULNJ-QFIPXVFZSA-N 2 2 382.508 3.848 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]12CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139356934 1026229331 /nfs/dbraw/zinc/22/93/31/1026229331.db2.gz TYIXSLJPCJULNJ-QFIPXVFZSA-N 2 2 382.508 3.848 20 0 GHADLP O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139359577 1026232910 /nfs/dbraw/zinc/23/29/10/1026232910.db2.gz GBHICYAKBPDVTK-VWLOTQADSA-N 2 2 398.510 3.773 20 0 GHADLP O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139359577 1026232920 /nfs/dbraw/zinc/23/29/20/1026232920.db2.gz GBHICYAKBPDVTK-VWLOTQADSA-N 2 2 398.510 3.773 20 0 GHADLP COC(=O)[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](c2ccccc2)C1 ZINC001139361599 1026235856 /nfs/dbraw/zinc/23/58/56/1026235856.db2.gz UWNQBQPNIOZMTO-UNMCSNQZSA-N 2 2 375.472 3.999 20 0 GHADLP COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](c2ccccc2)C1 ZINC001139361599 1026235868 /nfs/dbraw/zinc/23/58/68/1026235868.db2.gz UWNQBQPNIOZMTO-UNMCSNQZSA-N 2 2 375.472 3.999 20 0 GHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139361993 1026236519 /nfs/dbraw/zinc/23/65/19/1026236519.db2.gz FRJDMYYEAAJVHS-IBGZPJMESA-N 2 2 384.524 3.951 20 0 GHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139361993 1026236533 /nfs/dbraw/zinc/23/65/33/1026236533.db2.gz FRJDMYYEAAJVHS-IBGZPJMESA-N 2 2 384.524 3.951 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001139361955 1026237102 /nfs/dbraw/zinc/23/71/02/1026237102.db2.gz FHEQEXWLVBNZPX-RBUKOAKNSA-N 2 2 382.508 3.561 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001139361955 1026237116 /nfs/dbraw/zinc/23/71/16/1026237116.db2.gz FHEQEXWLVBNZPX-RBUKOAKNSA-N 2 2 382.508 3.561 20 0 GHADLP Nc1ncnc(Cl)c1C[NH+]1CCC2(CC[NH+](Cc3cccs3)CC2)CC1 ZINC001139438940 1026306926 /nfs/dbraw/zinc/30/69/26/1026306926.db2.gz GKOOJIXQCPBTEM-UHFFFAOYSA-N 2 2 391.972 3.652 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc3ccc(Br)cc3[nH]1)CC2 ZINC001139472542 1026336020 /nfs/dbraw/zinc/33/60/20/1026336020.db2.gz ZSLYZPSXEMCROS-UHFFFAOYSA-N 2 2 391.313 3.560 20 0 GHADLP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC001139508004 1026361924 /nfs/dbraw/zinc/36/19/24/1026361924.db2.gz OBHZQDARZZNOHF-UHFFFAOYSA-N 2 2 379.548 3.620 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC001139508004 1026361935 /nfs/dbraw/zinc/36/19/35/1026361935.db2.gz OBHZQDARZZNOHF-UHFFFAOYSA-N 2 2 379.548 3.620 20 0 GHADLP CCOC(=O)Cc1cc[nH+]c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1C ZINC001164486343 1026525889 /nfs/dbraw/zinc/52/58/89/1026525889.db2.gz NGSWKBXEDFTFQY-BHIFYINESA-N 2 2 393.531 3.818 20 0 GHADLP CCOC(=O)Cc1cc[nH+]c(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1C ZINC001164486343 1026525893 /nfs/dbraw/zinc/52/58/93/1026525893.db2.gz NGSWKBXEDFTFQY-BHIFYINESA-N 2 2 393.531 3.818 20 0 GHADLP CCOC(=O)Cc1cc[nH+]c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1C ZINC001164486345 1026526189 /nfs/dbraw/zinc/52/61/89/1026526189.db2.gz NGSWKBXEDFTFQY-FDFHNCONSA-N 2 2 393.531 3.818 20 0 GHADLP CCOC(=O)Cc1cc[nH+]c(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1C ZINC001164486345 1026526198 /nfs/dbraw/zinc/52/61/98/1026526198.db2.gz NGSWKBXEDFTFQY-FDFHNCONSA-N 2 2 393.531 3.818 20 0 GHADLP Cn1c(=O)cc(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)c2ccccc21 ZINC001139756742 1026594991 /nfs/dbraw/zinc/59/49/91/1026594991.db2.gz ADPYISAHEHAZNG-UHFFFAOYSA-N 2 2 375.516 3.635 20 0 GHADLP Cn1c(=O)cc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)c2ccccc21 ZINC001139756742 1026595001 /nfs/dbraw/zinc/59/50/01/1026595001.db2.gz ADPYISAHEHAZNG-UHFFFAOYSA-N 2 2 375.516 3.635 20 0 GHADLP COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763121 1026601436 /nfs/dbraw/zinc/60/14/36/1026601436.db2.gz FVAYPPDZYCLZLP-HSZRJFAPSA-N 2 2 396.531 3.743 20 0 GHADLP COc1ccccc1[C@H]1CCC[N@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763121 1026601440 /nfs/dbraw/zinc/60/14/40/1026601440.db2.gz FVAYPPDZYCLZLP-HSZRJFAPSA-N 2 2 396.531 3.743 20 0 GHADLP c1ccc([C@@H]2CCC[N@@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)cc1 ZINC001139764092 1026602912 /nfs/dbraw/zinc/60/29/12/1026602912.db2.gz AKMDLAQTVZNMOZ-HSZRJFAPSA-N 2 2 380.532 3.777 20 0 GHADLP c1ccc([C@@H]2CCC[N@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)cc1 ZINC001139764092 1026602917 /nfs/dbraw/zinc/60/29/17/1026602917.db2.gz AKMDLAQTVZNMOZ-HSZRJFAPSA-N 2 2 380.532 3.777 20 0 GHADLP c1ccc([C@H]2CSCC[N@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001139763902 1026603003 /nfs/dbraw/zinc/60/30/03/1026603003.db2.gz UKDMMHYFDCJHHL-HSZRJFAPSA-N 2 2 398.572 3.688 20 0 GHADLP c1ccc([C@H]2CSCC[N@@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001139763902 1026603007 /nfs/dbraw/zinc/60/30/07/1026603007.db2.gz UKDMMHYFDCJHHL-HSZRJFAPSA-N 2 2 398.572 3.688 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4cccc5cnccc54)CC3)C2)co1 ZINC001140141882 1026915644 /nfs/dbraw/zinc/91/56/44/1026915644.db2.gz UBMUMYHRHKIDFT-UHFFFAOYSA-N 2 2 377.488 3.695 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc5cnccc54)CC3)C2)co1 ZINC001140141882 1026915646 /nfs/dbraw/zinc/91/56/46/1026915646.db2.gz UBMUMYHRHKIDFT-UHFFFAOYSA-N 2 2 377.488 3.695 20 0 GHADLP Clc1ccccc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001203381946 1026959020 /nfs/dbraw/zinc/95/90/20/1026959020.db2.gz MTRXERVGCBMVET-URVUXULASA-N 2 2 384.955 3.912 20 0 GHADLP Clc1ccccc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001203381946 1026959026 /nfs/dbraw/zinc/95/90/26/1026959026.db2.gz MTRXERVGCBMVET-URVUXULASA-N 2 2 384.955 3.912 20 0 GHADLP Clc1ccccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001203381946 1026959028 /nfs/dbraw/zinc/95/90/28/1026959028.db2.gz MTRXERVGCBMVET-URVUXULASA-N 2 2 384.955 3.912 20 0 GHADLP Clc1ccccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001203381946 1026959034 /nfs/dbraw/zinc/95/90/34/1026959034.db2.gz MTRXERVGCBMVET-URVUXULASA-N 2 2 384.955 3.912 20 0 GHADLP Cn1ncc(Br)c1C[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001209711500 1027108193 /nfs/dbraw/zinc/10/81/93/1027108193.db2.gz NEVDKDBWGDMUPA-UHFFFAOYSA-N 2 2 391.357 3.527 20 0 GHADLP Cn1ncc(Br)c1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001209711500 1027108199 /nfs/dbraw/zinc/10/81/99/1027108199.db2.gz NEVDKDBWGDMUPA-UHFFFAOYSA-N 2 2 391.357 3.527 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+](Cc2c[nH+]ccc2N)C2CCCC2)C1 ZINC001209732592 1027127265 /nfs/dbraw/zinc/12/72/65/1027127265.db2.gz JLSFZUCQSXZSCS-QGZVFWFLSA-N 2 2 388.556 3.886 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+](Cc2c[nH+]ccc2N)C2CCCC2)C1 ZINC001209732592 1027127272 /nfs/dbraw/zinc/12/72/72/1027127272.db2.gz JLSFZUCQSXZSCS-QGZVFWFLSA-N 2 2 388.556 3.886 20 0 GHADLP CC(=O)OCc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC001141793648 1027299814 /nfs/dbraw/zinc/29/98/14/1027299814.db2.gz FMEHDGAQNHMGSH-HSZRJFAPSA-N 2 2 382.504 3.831 20 0 GHADLP CC(=O)OCc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC001141793648 1027299829 /nfs/dbraw/zinc/29/98/29/1027299829.db2.gz FMEHDGAQNHMGSH-HSZRJFAPSA-N 2 2 382.504 3.831 20 0 GHADLP CC(=O)OCc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC001141793648 1027299846 /nfs/dbraw/zinc/29/98/46/1027299846.db2.gz FMEHDGAQNHMGSH-HSZRJFAPSA-N 2 2 382.504 3.831 20 0 GHADLP CC(=O)OCc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC001141793648 1027299862 /nfs/dbraw/zinc/29/98/62/1027299862.db2.gz FMEHDGAQNHMGSH-HSZRJFAPSA-N 2 2 382.504 3.831 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)c(OC)c1 ZINC001203475336 1027365037 /nfs/dbraw/zinc/36/50/37/1027365037.db2.gz HKJMWAWZHYWXQU-UHFFFAOYSA-N 2 2 399.535 3.939 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)c(OC)c1 ZINC001203475336 1027365052 /nfs/dbraw/zinc/36/50/52/1027365052.db2.gz HKJMWAWZHYWXQU-UHFFFAOYSA-N 2 2 399.535 3.939 20 0 GHADLP C[NH+](C)C1(CNC2CC[NH+](Cc3ccc(Cl)cc3)CC2)Cc2ccccc2C1 ZINC001461231481 1069453862 /nfs/dbraw/zinc/45/38/62/1069453862.db2.gz FZXHICOOPFKBKS-UHFFFAOYSA-N 2 2 397.994 3.993 20 0 GHADLP COc1ccc2c(Nc3cc(N4C[C@@H](C)O[C@@H](C)C4)[nH+]c(C)n3)cc[nH+]c2c1 ZINC001203523482 1027404133 /nfs/dbraw/zinc/40/41/33/1027404133.db2.gz PVWRCLMKRSYRBU-OKILXGFUSA-N 2 2 379.464 3.699 20 0 GHADLP Cc1cccc(C[NH+]2CCC([NH+]3CCC(NC(=O)OC(C)(C)C)CC3)CC2)c1 ZINC001203893332 1027688052 /nfs/dbraw/zinc/68/80/52/1027688052.db2.gz AUGLSMJZIULKSQ-UHFFFAOYSA-N 2 2 387.568 3.949 20 0 GHADLP Cc1onc(-c2ccccc2)c1C[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001141985826 1027816571 /nfs/dbraw/zinc/81/65/71/1027816571.db2.gz LLZNMTXFUVUPCK-JTHBVZDNSA-N 2 2 395.547 3.973 20 0 GHADLP Cc1onc(-c2ccccc2)c1C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001141985826 1027816588 /nfs/dbraw/zinc/81/65/88/1027816588.db2.gz LLZNMTXFUVUPCK-JTHBVZDNSA-N 2 2 395.547 3.973 20 0 GHADLP Cc1onc(-c2ccccc2)c1C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001141985826 1027816607 /nfs/dbraw/zinc/81/66/07/1027816607.db2.gz LLZNMTXFUVUPCK-JTHBVZDNSA-N 2 2 395.547 3.973 20 0 GHADLP Cc1onc(-c2ccccc2)c1C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001141985826 1027816619 /nfs/dbraw/zinc/81/66/19/1027816619.db2.gz LLZNMTXFUVUPCK-JTHBVZDNSA-N 2 2 395.547 3.973 20 0 GHADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001204089475 1027866936 /nfs/dbraw/zinc/86/69/36/1027866936.db2.gz NWHAAIYTNAGMDL-FSPWUOQZSA-N 2 2 379.335 3.917 20 0 GHADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001204089475 1027866955 /nfs/dbraw/zinc/86/69/55/1027866955.db2.gz NWHAAIYTNAGMDL-FSPWUOQZSA-N 2 2 379.335 3.917 20 0 GHADLP CCOc1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)ccc1OC(=O)CC ZINC000840885243 1027923071 /nfs/dbraw/zinc/92/30/71/1027923071.db2.gz VZXXHFRXRRSPQS-UHFFFAOYSA-N 2 2 379.460 3.876 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001142192488 1028331093 /nfs/dbraw/zinc/33/10/93/1028331093.db2.gz JWFJXVSCUQGEGQ-VXKWHMMOSA-N 2 2 393.531 3.601 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)o1 ZINC001142624795 1029170002 /nfs/dbraw/zinc/17/00/02/1029170002.db2.gz LOHQPASZTZACAA-UHFFFAOYSA-N 2 2 377.400 3.573 20 0 GHADLP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1cc(C(F)(F)F)ccc1C)CC[NH2+]CC2 ZINC001222220677 1030014633 /nfs/dbraw/zinc/01/46/33/1030014633.db2.gz FTLIDCUYMWHHCO-QGZVFWFLSA-N 2 2 384.442 3.521 20 0 GHADLP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1cc(C(F)(F)F)ccc1C)CC[NH2+]CC2 ZINC001222220677 1030014648 /nfs/dbraw/zinc/01/46/48/1030014648.db2.gz FTLIDCUYMWHHCO-QGZVFWFLSA-N 2 2 384.442 3.521 20 0 GHADLP Cc1cc(C)c(-c2noc(-c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)n2)cn1 ZINC001217115802 1030176084 /nfs/dbraw/zinc/17/60/84/1030176084.db2.gz CKTLQLZVBGZSCF-UHFFFAOYSA-N 2 2 379.508 3.799 20 0 GHADLP Cc1cc(C)c(-c2noc(-c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)n2)cn1 ZINC001217115802 1030176095 /nfs/dbraw/zinc/17/60/95/1030176095.db2.gz CKTLQLZVBGZSCF-UHFFFAOYSA-N 2 2 379.508 3.799 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000131370247 1030898752 /nfs/dbraw/zinc/89/87/52/1030898752.db2.gz GNPMZGRIVSWBRI-VQIMIIECSA-N 2 2 386.927 3.524 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000131370247 1030898777 /nfs/dbraw/zinc/89/87/77/1030898777.db2.gz GNPMZGRIVSWBRI-VQIMIIECSA-N 2 2 386.927 3.524 20 0 GHADLP Cc1nc2c(c(O[C@H]3C[NH2+]Cc4ccccc43)n1)CC[N@H+](Cc1ccccc1)C2 ZINC001218488893 1030959294 /nfs/dbraw/zinc/95/92/94/1030959294.db2.gz NHQSXVVKJCTCOT-QHCPKHFHSA-N 2 2 386.499 3.567 20 0 GHADLP Cc1nc2c(c(O[C@H]3C[NH2+]Cc4ccccc43)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001218488893 1030959300 /nfs/dbraw/zinc/95/93/00/1030959300.db2.gz NHQSXVVKJCTCOT-QHCPKHFHSA-N 2 2 386.499 3.567 20 0 GHADLP O=C(Nc1cc2ccccc2s1)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001218581060 1030993826 /nfs/dbraw/zinc/99/38/26/1030993826.db2.gz LOLFWTCKSDKZOY-SFHVURJKSA-N 2 2 377.513 3.561 20 0 GHADLP O=C(Nc1cc2ccccc2s1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001218581060 1030993838 /nfs/dbraw/zinc/99/38/38/1030993838.db2.gz LOLFWTCKSDKZOY-SFHVURJKSA-N 2 2 377.513 3.561 20 0 GHADLP O=C(CC1(c2ccccc2F)CC[NH2+]CC1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001218810932 1031088682 /nfs/dbraw/zinc/08/86/82/1031088682.db2.gz BYNAERIEIXFLPY-UHFFFAOYSA-N 2 2 378.451 3.661 20 0 GHADLP CN(C(=O)/C=C/CCc1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001153505921 1031622331 /nfs/dbraw/zinc/62/23/31/1031622331.db2.gz WGORFSUOEHXEKH-SKXQQNSKSA-N 2 2 397.607 3.971 20 0 GHADLP CN(C(=O)/C=C/CCc1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001153505921 1031622338 /nfs/dbraw/zinc/62/23/38/1031622338.db2.gz WGORFSUOEHXEKH-SKXQQNSKSA-N 2 2 397.607 3.971 20 0 GHADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cc1 ZINC001154124245 1031939438 /nfs/dbraw/zinc/93/94/38/1031939438.db2.gz QHICMIVADPWFHF-JOCHJYFZSA-N 2 2 383.511 3.844 20 0 GHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cc1 ZINC001154124245 1031939445 /nfs/dbraw/zinc/93/94/45/1031939445.db2.gz QHICMIVADPWFHF-JOCHJYFZSA-N 2 2 383.511 3.844 20 0 GHADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC001205916897 1033634485 /nfs/dbraw/zinc/63/44/85/1033634485.db2.gz WGPBHTIRVPAQPX-CMPLNLGQSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC001205916897 1033634490 /nfs/dbraw/zinc/63/44/90/1033634490.db2.gz WGPBHTIRVPAQPX-CMPLNLGQSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@]1(C[NH3+])CCC[N@H+](Cc2c(F)cc(I)cc2F)CC1 ZINC001206325245 1033797518 /nfs/dbraw/zinc/79/75/18/1033797518.db2.gz GNIKLSDSQLCOFR-HNNXBMFYSA-N 2 2 394.247 3.520 20 0 GHADLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(F)cc(I)cc2F)CC1 ZINC001206325245 1033797519 /nfs/dbraw/zinc/79/75/19/1033797519.db2.gz GNIKLSDSQLCOFR-HNNXBMFYSA-N 2 2 394.247 3.520 20 0 GHADLP COc1ccc2c(c1)nc(NC(=[NH2+])N1CC[NH+](C)CC1)cc2-c1ccccc1 ZINC001157915990 1033822454 /nfs/dbraw/zinc/82/24/54/1033822454.db2.gz JNASDLWFGUPGAG-UHFFFAOYSA-N 2 2 375.476 3.504 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1cccc(C[NH+]2CCCC2)c1F ZINC001206539208 1033898623 /nfs/dbraw/zinc/89/86/23/1033898623.db2.gz FMFZPBYRXSCUBR-UHFFFAOYSA-N 2 2 384.495 3.929 20 0 GHADLP C[NH+]1CCC(N(Cc2ccc(F)cc2)c2nc(N3CCCCC3)cc[nH+]2)CC1 ZINC001158449185 1034083133 /nfs/dbraw/zinc/08/31/33/1034083133.db2.gz VPLBKKOSVISBBE-UHFFFAOYSA-N 2 2 383.515 3.707 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207182499 1034150638 /nfs/dbraw/zinc/15/06/38/1034150638.db2.gz LBNOQSOIMOBFHE-BAGYTPMASA-N 2 2 392.971 3.504 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207182499 1034150643 /nfs/dbraw/zinc/15/06/43/1034150643.db2.gz LBNOQSOIMOBFHE-BAGYTPMASA-N 2 2 392.971 3.504 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207182499 1034150657 /nfs/dbraw/zinc/15/06/57/1034150657.db2.gz LBNOQSOIMOBFHE-BAGYTPMASA-N 2 2 392.971 3.504 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207182499 1034150673 /nfs/dbraw/zinc/15/06/73/1034150673.db2.gz LBNOQSOIMOBFHE-BAGYTPMASA-N 2 2 392.971 3.504 20 0 GHADLP O=C(OCc1ccccc1)[C@H]1CCC[NH2+][C@H](Nc2cc(N3CCCC3)cc[nH+]2)C1 ZINC001158586982 1034178132 /nfs/dbraw/zinc/17/81/32/1034178132.db2.gz UEUCFAUFBOZHDG-PZJWPPBQSA-N 2 2 394.519 3.553 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC001207319096 1034267612 /nfs/dbraw/zinc/26/76/12/1034267612.db2.gz YWIZEYDEHHZIHB-ROUUACIJSA-N 2 2 375.513 3.633 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC001207319096 1034267615 /nfs/dbraw/zinc/26/76/15/1034267615.db2.gz YWIZEYDEHHZIHB-ROUUACIJSA-N 2 2 375.513 3.633 20 0 GHADLP C[NH+](C)CCC[NH+](CCC[NH+](C)C)C[C@@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207408613 1034348898 /nfs/dbraw/zinc/34/88/98/1034348898.db2.gz ZSILKGMIDCYLED-JOCHJYFZSA-N 3 2 381.649 3.860 20 0 GHADLP Fc1ccccc1CC[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001207498871 1034403643 /nfs/dbraw/zinc/40/36/43/1034403643.db2.gz BMTSSVQLRIFFJP-NRFANRHFSA-N 2 2 389.465 3.997 20 0 GHADLP Fc1ccccc1CC[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001207498871 1034403649 /nfs/dbraw/zinc/40/36/49/1034403649.db2.gz BMTSSVQLRIFFJP-NRFANRHFSA-N 2 2 389.465 3.997 20 0 GHADLP Fc1ccccc1CC[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001207498871 1034403656 /nfs/dbraw/zinc/40/36/56/1034403656.db2.gz BMTSSVQLRIFFJP-NRFANRHFSA-N 2 2 389.465 3.997 20 0 GHADLP Fc1ccccc1CC[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001207498871 1034403664 /nfs/dbraw/zinc/40/36/64/1034403664.db2.gz BMTSSVQLRIFFJP-NRFANRHFSA-N 2 2 389.465 3.997 20 0 GHADLP CN(Cc1ccccc1)c1ccc(Nc2cccnc2OC2CC[NH2+]CC2)c[nH+]1 ZINC001159241747 1034499753 /nfs/dbraw/zinc/49/97/53/1034499753.db2.gz DKPZBDPSLGVUQV-UHFFFAOYSA-N 2 2 389.503 3.987 20 0 GHADLP [NH3+]C1CCN(c2ccc(NC3=CC[C@@H](OC(=O)c4ccccc4)CC3)c[nH+]2)CC1 ZINC001159324256 1034545022 /nfs/dbraw/zinc/54/50/22/1034545022.db2.gz YRTNTIABWBSQJV-OAQYLSRUSA-N 2 2 392.503 3.714 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001207827287 1034604427 /nfs/dbraw/zinc/60/44/27/1034604427.db2.gz JEVXQKYBNHBKMZ-WBVHZDCISA-N 2 2 398.498 3.658 20 0 GHADLP Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208186013 1034782275 /nfs/dbraw/zinc/78/22/75/1034782275.db2.gz HGFLLUABMUWZFZ-UHFFFAOYSA-N 2 2 393.579 3.729 20 0 GHADLP Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208186013 1034782282 /nfs/dbraw/zinc/78/22/82/1034782282.db2.gz HGFLLUABMUWZFZ-UHFFFAOYSA-N 2 2 393.579 3.729 20 0 GHADLP Fc1cccc(CC[N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)c1 ZINC001208199235 1034793624 /nfs/dbraw/zinc/79/36/24/1034793624.db2.gz XGXBOJKFPMSTOW-NRFANRHFSA-N 2 2 389.465 3.997 20 0 GHADLP Fc1cccc(CC[N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)c1 ZINC001208199235 1034793636 /nfs/dbraw/zinc/79/36/36/1034793636.db2.gz XGXBOJKFPMSTOW-NRFANRHFSA-N 2 2 389.465 3.997 20 0 GHADLP Fc1cccc(CC[NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001208199235 1034793649 /nfs/dbraw/zinc/79/36/49/1034793649.db2.gz XGXBOJKFPMSTOW-NRFANRHFSA-N 2 2 389.465 3.997 20 0 GHADLP Fc1cccc(CC[NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001208199235 1034793663 /nfs/dbraw/zinc/79/36/63/1034793663.db2.gz XGXBOJKFPMSTOW-NRFANRHFSA-N 2 2 389.465 3.997 20 0 GHADLP FC(F)(F)c1cc(CN2CC[NH2+]CC2)cc(Nc2cccc3[nH+]c[nH]c32)c1 ZINC001159965472 1034807039 /nfs/dbraw/zinc/80/70/39/1034807039.db2.gz XKWUUQMPJFHWLD-UHFFFAOYSA-N 2 2 375.398 3.731 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1Nc1ccc2c(c1)C[NH2+]CC2(C)C ZINC001160284877 1034928379 /nfs/dbraw/zinc/92/83/79/1034928379.db2.gz JYVBNSQCSMPKRC-UHFFFAOYSA-N 2 2 381.520 3.652 20 0 GHADLP c1ccc(C2(C[N@H+]3CCc4nnc(C[NH+]5CCCCC5)n4CC3)CCCC2)cc1 ZINC001208774693 1035014307 /nfs/dbraw/zinc/01/43/07/1035014307.db2.gz DWUHBNXZSCXZCZ-UHFFFAOYSA-N 2 2 393.579 3.634 20 0 GHADLP c1ccc(C2(C[N@@H+]3CCc4nnc(C[NH+]5CCCCC5)n4CC3)CCCC2)cc1 ZINC001208774693 1035014317 /nfs/dbraw/zinc/01/43/17/1035014317.db2.gz DWUHBNXZSCXZCZ-UHFFFAOYSA-N 2 2 393.579 3.634 20 0 GHADLP Cc1cc(F)ncc1C[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001231983627 1035023883 /nfs/dbraw/zinc/02/38/83/1035023883.db2.gz ZQKSNYHTHJUNAM-UHFFFAOYSA-N 2 2 380.467 3.707 20 0 GHADLP Cc1cc(F)ncc1C[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001231983627 1035023893 /nfs/dbraw/zinc/02/38/93/1035023893.db2.gz ZQKSNYHTHJUNAM-UHFFFAOYSA-N 2 2 380.467 3.707 20 0 GHADLP Cc1cc(F)ncc1C[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001231983627 1035023902 /nfs/dbraw/zinc/02/39/02/1035023902.db2.gz ZQKSNYHTHJUNAM-UHFFFAOYSA-N 2 2 380.467 3.707 20 0 GHADLP Cc1cc(F)ncc1C[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001231983627 1035023912 /nfs/dbraw/zinc/02/39/12/1035023912.db2.gz ZQKSNYHTHJUNAM-UHFFFAOYSA-N 2 2 380.467 3.707 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](F)[C@H](F)C3)CC2)cc1 ZINC001208814891 1035035847 /nfs/dbraw/zinc/03/58/47/1035035847.db2.gz IEPFXFSBPQVFKJ-WOJBJXKFSA-N 2 2 394.506 3.846 20 0 GHADLP COc1ccccc1CCC[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001208839767 1035053035 /nfs/dbraw/zinc/05/30/35/1035053035.db2.gz UBNTZEAVMXZNAC-UHFFFAOYSA-N 2 2 384.520 3.588 20 0 GHADLP COc1ccccc1CCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001208839767 1035053047 /nfs/dbraw/zinc/05/30/47/1035053047.db2.gz UBNTZEAVMXZNAC-UHFFFAOYSA-N 2 2 384.520 3.588 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000090003837 1035065666 /nfs/dbraw/zinc/06/56/66/1035065666.db2.gz BYBOQMDOAIKPQO-GOSISDBHSA-N 2 2 375.520 3.549 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000090003837 1035065679 /nfs/dbraw/zinc/06/56/79/1035065679.db2.gz BYBOQMDOAIKPQO-GOSISDBHSA-N 2 2 375.520 3.549 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCN(c4nsc5ccccc54)CC3)C2)cc1 ZINC001208942190 1035111432 /nfs/dbraw/zinc/11/14/32/1035111432.db2.gz OTBUGQOPUSYQBR-FQEVSTJZSA-N 2 2 392.572 3.940 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCN(c4nsc5ccccc54)CC3)C2)cc1 ZINC001208942190 1035111435 /nfs/dbraw/zinc/11/14/35/1035111435.db2.gz OTBUGQOPUSYQBR-FQEVSTJZSA-N 2 2 392.572 3.940 20 0 GHADLP FC1(F)CN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@@H]1[NH+]1CCCC1 ZINC001208948270 1035119365 /nfs/dbraw/zinc/11/93/65/1035119365.db2.gz PFOXYGHJAXFXMQ-SFTDATJTSA-N 2 2 377.523 3.704 20 0 GHADLP FC1(F)CN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1[NH+]1CCCC1 ZINC001208948270 1035119370 /nfs/dbraw/zinc/11/93/70/1035119370.db2.gz PFOXYGHJAXFXMQ-SFTDATJTSA-N 2 2 377.523 3.704 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[NH+](C[C@H]4CC[N@H+](Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001208949690 1035120155 /nfs/dbraw/zinc/12/01/55/1035120155.db2.gz NJOLEESWUDAWRS-SDHOMARFSA-N 3 2 375.560 3.572 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[NH+](C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001208949690 1035120158 /nfs/dbraw/zinc/12/01/58/1035120158.db2.gz NJOLEESWUDAWRS-SDHOMARFSA-N 3 2 375.560 3.572 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232147359 1035125251 /nfs/dbraw/zinc/12/52/51/1035125251.db2.gz GEJOMRORQODDDH-CVEARBPZSA-N 2 2 379.520 3.717 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232147359 1035125255 /nfs/dbraw/zinc/12/52/55/1035125255.db2.gz GEJOMRORQODDDH-CVEARBPZSA-N 2 2 379.520 3.717 20 0 GHADLP Cn1cc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c(C2CC2)n1 ZINC001232171288 1035142351 /nfs/dbraw/zinc/14/23/51/1035142351.db2.gz MOXBUWRILWPSAG-UHFFFAOYSA-N 2 2 381.911 3.821 20 0 GHADLP CC[NH+](CC)C1CC[NH+](CC[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC001209011855 1035149707 /nfs/dbraw/zinc/14/97/07/1035149707.db2.gz SQHUJHFBGSIDFH-SFHVURJKSA-N 2 2 383.577 3.555 20 0 GHADLP COC(=O)CCCCCCCCC[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001209095050 1035170654 /nfs/dbraw/zinc/17/06/54/1035170654.db2.gz OOXBPODJIOAXNM-UHFFFAOYSA-N 2 2 376.545 3.509 20 0 GHADLP CN1CC[N@H+](Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)Cc2ccccc21 ZINC001461959159 1069915749 /nfs/dbraw/zinc/91/57/49/1069915749.db2.gz MBRYTVMEPMDLER-UHFFFAOYSA-N 2 2 389.446 3.522 20 0 GHADLP CN1CC[N@@H+](Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)Cc2ccccc21 ZINC001461959159 1069915753 /nfs/dbraw/zinc/91/57/53/1069915753.db2.gz MBRYTVMEPMDLER-UHFFFAOYSA-N 2 2 389.446 3.522 20 0 GHADLP CC/C=C\CCCCCC[N@@H+]1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001209285284 1035230995 /nfs/dbraw/zinc/23/09/95/1035230995.db2.gz IOFPMCPBVZBSFF-ARJAWSKDSA-N 2 2 383.540 3.611 20 0 GHADLP CC/C=C\CCCCCC[N@H+]1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001209285284 1035231001 /nfs/dbraw/zinc/23/10/01/1035231001.db2.gz IOFPMCPBVZBSFF-ARJAWSKDSA-N 2 2 383.540 3.611 20 0 GHADLP Clc1ccnc2c(-c3noc([C@@H]4CCC[N@@H+]4C4CC[NH2+]CC4)n3)cccc12 ZINC001248251351 1035701709 /nfs/dbraw/zinc/70/17/09/1035701709.db2.gz BVPFWMOADAELJE-KRWDZBQOSA-N 2 2 383.883 3.827 20 0 GHADLP Clc1ccnc2c(-c3noc([C@@H]4CCC[N@H+]4C4CC[NH2+]CC4)n3)cccc12 ZINC001248251351 1035701730 /nfs/dbraw/zinc/70/17/30/1035701730.db2.gz BVPFWMOADAELJE-KRWDZBQOSA-N 2 2 383.883 3.827 20 0 GHADLP CC[NH+](CC)Cc1ccc(-c2cccc(C(=O)N3CC[NH+](C)CC3)c2)cc1F ZINC001241880365 1035740030 /nfs/dbraw/zinc/74/00/30/1035740030.db2.gz XBMSKVXJTAQYDH-UHFFFAOYSA-N 2 2 383.511 3.722 20 0 GHADLP Fc1ccc(C[C@H]2C[NH2+][C@H](c3nc(-c4ccccc4-n4cc[nH+]c4)no3)C2)cc1 ZINC001248592650 1035977517 /nfs/dbraw/zinc/97/75/17/1035977517.db2.gz CYEQEJPBBQQFJB-APWZRJJASA-N 2 2 389.434 3.955 20 0 GHADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4nc(Br)sc4c3)C[C@@H]2C1 ZINC001248596119 1035979104 /nfs/dbraw/zinc/97/91/04/1035979104.db2.gz BYAALXQUEILZFK-KBPBESRZSA-N 2 2 380.355 3.832 20 0 GHADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4nc(Br)sc4c3)C[C@@H]2C1 ZINC001248596120 1035979475 /nfs/dbraw/zinc/97/94/75/1035979475.db2.gz BYAALXQUEILZFK-OKILXGFUSA-N 2 2 380.355 3.832 20 0 GHADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4nc(Br)sc4c3)C[C@@H]2C1 ZINC001248596120 1035979479 /nfs/dbraw/zinc/97/94/79/1035979479.db2.gz BYAALXQUEILZFK-OKILXGFUSA-N 2 2 380.355 3.832 20 0 GHADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4nc(Br)sc4c3)C[C@@H]2C1 ZINC001248596120 1035979485 /nfs/dbraw/zinc/97/94/85/1035979485.db2.gz BYAALXQUEILZFK-OKILXGFUSA-N 2 2 380.355 3.832 20 0 GHADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4nc(Br)sc4c3)C[C@@H]2C1 ZINC001248596120 1035979491 /nfs/dbraw/zinc/97/94/91/1035979491.db2.gz BYAALXQUEILZFK-OKILXGFUSA-N 2 2 380.355 3.832 20 0 GHADLP C[C@@H]([NH2+][C@H](CC(N)=O)c1ccccc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001462056996 1069970517 /nfs/dbraw/zinc/97/05/17/1069970517.db2.gz AZGQXWAEKGEABD-HGHGUNKESA-N 2 2 385.939 3.757 20 0 GHADLP C[C@@H]([NH2+][C@H](CC(N)=O)c1ccccc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462056996 1069970521 /nfs/dbraw/zinc/97/05/21/1069970521.db2.gz AZGQXWAEKGEABD-HGHGUNKESA-N 2 2 385.939 3.757 20 0 GHADLP Cn1c(Br)ccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001248776229 1036131182 /nfs/dbraw/zinc/13/11/82/1036131182.db2.gz LVYQOERJUHRZKJ-KRWDZBQOSA-N 2 2 376.342 3.742 20 0 GHADLP Cn1c(Br)ccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001248776229 1036131195 /nfs/dbraw/zinc/13/11/95/1036131195.db2.gz LVYQOERJUHRZKJ-KRWDZBQOSA-N 2 2 376.342 3.742 20 0 GHADLP Cn1c(Br)ccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001248776229 1036131200 /nfs/dbraw/zinc/13/12/00/1036131200.db2.gz LVYQOERJUHRZKJ-KRWDZBQOSA-N 2 2 376.342 3.742 20 0 GHADLP Cn1c(Br)ccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001248776229 1036131210 /nfs/dbraw/zinc/13/12/10/1036131210.db2.gz LVYQOERJUHRZKJ-KRWDZBQOSA-N 2 2 376.342 3.742 20 0 GHADLP C[NH+]1CCN(c2cccc(-c3ccc(-c4ccc(-n5cc[nH+]c5)cc4)nn3)c2)CC1 ZINC001243668892 1036245980 /nfs/dbraw/zinc/24/59/80/1036245980.db2.gz IBDCXDIMINPYLH-UHFFFAOYSA-N 2 2 396.498 3.748 20 0 GHADLP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNc1cc[nH+]c2c(Cl)cccc12 ZINC001245959312 1037082308 /nfs/dbraw/zinc/08/23/08/1037082308.db2.gz LPCGGAJRZJUSAR-FUHWJXTLSA-N 2 2 377.822 3.509 20 0 GHADLP O[C@H](C[NH2+]C[C@H]1CCC[NH2+]1)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245980121 1037105187 /nfs/dbraw/zinc/10/51/87/1037105187.db2.gz GMEFPGHWIDUISC-VQIMIIECSA-N 2 2 377.315 3.940 20 0 GHADLP CCCC[C@H](CC)COC[C@H](O)C[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001246052067 1037162215 /nfs/dbraw/zinc/16/22/15/1037162215.db2.gz LZPJKNQFSVDSQS-SIKLNZKXSA-N 2 2 394.575 3.974 20 0 GHADLP CCCC[C@H](CC)COC[C@H](O)C[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001246052067 1037162226 /nfs/dbraw/zinc/16/22/26/1037162226.db2.gz LZPJKNQFSVDSQS-SIKLNZKXSA-N 2 2 394.575 3.974 20 0 GHADLP Cc1ccc(C[N@H+](C[C@@H](O)c2ccc(F)c(F)c2)C2CC[NH2+]CC2)c(F)c1 ZINC001246054161 1037168003 /nfs/dbraw/zinc/16/80/03/1037168003.db2.gz CUMVJAMWSZGWET-OAQYLSRUSA-N 2 2 378.438 3.700 20 0 GHADLP Cc1ccc(C[N@@H+](C[C@@H](O)c2ccc(F)c(F)c2)C2CC[NH2+]CC2)c(F)c1 ZINC001246054161 1037168016 /nfs/dbraw/zinc/16/80/16/1037168016.db2.gz CUMVJAMWSZGWET-OAQYLSRUSA-N 2 2 378.438 3.700 20 0 GHADLP O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001246067776 1037180504 /nfs/dbraw/zinc/18/05/04/1037180504.db2.gz XOIOOSKFKHAXTC-RBUKOAKNSA-N 2 2 393.531 3.667 20 0 GHADLP O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001246067776 1037180520 /nfs/dbraw/zinc/18/05/20/1037180520.db2.gz XOIOOSKFKHAXTC-RBUKOAKNSA-N 2 2 393.531 3.667 20 0 GHADLP CCOC(=O)C[C@]1([NH2+][C@@H](C)CC(c2ccccc2)c2ccccc2)CC[NH2+]C1 ZINC001246126021 1037204573 /nfs/dbraw/zinc/20/45/73/1037204573.db2.gz JUBYDCKHJJEIGZ-YADARESESA-N 2 2 380.532 3.872 20 0 GHADLP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246204468 1037237670 /nfs/dbraw/zinc/23/76/70/1037237670.db2.gz XGCMLWUQJQMRER-PBHICJAKSA-N 2 2 399.373 3.809 20 0 GHADLP O=C(OCc1ccccc1)[C@H](Cc1ccccc1)[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246214763 1037242132 /nfs/dbraw/zinc/24/21/32/1037242132.db2.gz SEBHUURHYRERGE-GOTSBHOMSA-N 2 2 392.543 3.853 20 0 GHADLP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2C(=O)OC)C[C@H](CC)[NH2+]1 ZINC001246278006 1037273962 /nfs/dbraw/zinc/27/39/62/1037273962.db2.gz JGVGSUQKVVDZCE-ZSHCYNCHSA-N 2 2 383.330 3.635 20 0 GHADLP COC(=O)c1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246278664 1037274034 /nfs/dbraw/zinc/27/40/34/1037274034.db2.gz LIIGCMQLJDTCQP-MRXNPFEDSA-N 2 2 395.341 3.780 20 0 GHADLP c1ccc(-c2nnc3ccc(C[NH2+][C@@H]4CC[NH2+][C@H](c5ccccc5)C4)cn32)cc1 ZINC001246391105 1037351096 /nfs/dbraw/zinc/35/10/96/1037351096.db2.gz QUHIGHONFMCDBE-YADHBBJMSA-N 2 2 383.499 3.979 20 0 GHADLP Clc1ccc(CC2([NH2+][C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246391626 1037351788 /nfs/dbraw/zinc/35/17/88/1037351788.db2.gz OCEAFVJXRPIURT-GOTSBHOMSA-N 3 2 397.994 3.958 20 0 GHADLP COC(=O)[C@H](Cc1ccc2ccccc2c1)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246403525 1037360503 /nfs/dbraw/zinc/36/05/03/1037360503.db2.gz FOGZNEJTGIRHMF-QFIPXVFZSA-N 2 2 380.532 3.826 20 0 GHADLP CC(C)[C@H]1C[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3C(F)(F)F)CC2)CC[NH2+]1 ZINC001246439017 1037402456 /nfs/dbraw/zinc/40/24/56/1037402456.db2.gz RBQWXSVISNLFMW-PKOBYXMFSA-N 3 2 383.502 3.818 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+]([C@@H]4CC[NH2+][C@H](C(C)(C)C)C4)CC3)C2)cc1 ZINC001246747578 1037587386 /nfs/dbraw/zinc/58/73/86/1037587386.db2.gz PFYOABROXJFGIT-PKTZIBPZSA-N 3 2 399.623 3.829 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@@H]4CC[NH2+][C@H](C(C)(C)C)C4)CC3)C2)cc1 ZINC001246747578 1037587397 /nfs/dbraw/zinc/58/73/97/1037587397.db2.gz PFYOABROXJFGIT-PKTZIBPZSA-N 3 2 399.623 3.829 20 0 GHADLP CCCC[C@@H]1C[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246761022 1037605126 /nfs/dbraw/zinc/60/51/26/1037605126.db2.gz YFRDEZQZQFLLMG-DHIUTWEWSA-N 3 2 385.596 3.664 20 0 GHADLP CCCC[C@@H]1C[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246761022 1037605137 /nfs/dbraw/zinc/60/51/37/1037605137.db2.gz YFRDEZQZQFLLMG-DHIUTWEWSA-N 3 2 385.596 3.664 20 0 GHADLP CC(C)[C@H]1C[C@@H]([NH+]2CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC2)CC[NH2+]1 ZINC001246787240 1037625995 /nfs/dbraw/zinc/62/59/95/1037625995.db2.gz KUJJNAPXULPREG-DZGCQCFKSA-N 2 2 390.881 3.652 20 0 GHADLP CCCC[C@@H]1C[C@@H]([NH+]2CCN(c3cc(C)nn3-c3ccccc3)CC2)CC[NH2+]1 ZINC001246881204 1037697016 /nfs/dbraw/zinc/69/70/16/1037697016.db2.gz YTIZXGOZYQNFST-IRLDBZIGSA-N 2 2 381.568 3.614 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+]([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246894748 1037711561 /nfs/dbraw/zinc/71/15/61/1037711561.db2.gz PWXBHMMQSDDYTQ-CXSMSNRLSA-N 3 2 375.560 3.934 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[NH+]([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246894748 1037711578 /nfs/dbraw/zinc/71/15/78/1037711578.db2.gz PWXBHMMQSDDYTQ-CXSMSNRLSA-N 3 2 375.560 3.934 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+]([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246894748 1037711603 /nfs/dbraw/zinc/71/16/03/1037711603.db2.gz PWXBHMMQSDDYTQ-CXSMSNRLSA-N 3 2 375.560 3.934 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3CC[N@H+]([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246894748 1037711623 /nfs/dbraw/zinc/71/16/23/1037711623.db2.gz PWXBHMMQSDDYTQ-CXSMSNRLSA-N 3 2 375.560 3.934 20 0 GHADLP CC(C)(C)[C@@H]1C[C@H]([NH+]2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246925058 1037730634 /nfs/dbraw/zinc/73/06/34/1037730634.db2.gz LHJSINMYSYMCMY-MJGOQNOKSA-N 2 2 399.501 3.870 20 0 GHADLP Fc1cc(F)c(C[N@H+](C2CC[NH2+]CC2)C2CCC3(CCC[NH2+]C3)CC2)c(F)c1 ZINC001246959686 1037777945 /nfs/dbraw/zinc/77/79/45/1037777945.db2.gz XQVDHAUXCJYCHJ-UHFFFAOYSA-N 3 2 395.513 3.970 20 0 GHADLP Fc1cc(F)c(C[N@@H+](C2CC[NH2+]CC2)C2CCC3(CCC[NH2+]C3)CC2)c(F)c1 ZINC001246959686 1037777966 /nfs/dbraw/zinc/77/79/66/1037777966.db2.gz XQVDHAUXCJYCHJ-UHFFFAOYSA-N 3 2 395.513 3.970 20 0 GHADLP [NH3+][C@H](c1nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2[nH]1)c1ccccc1 ZINC001247011883 1037834707 /nfs/dbraw/zinc/83/47/07/1037834707.db2.gz XBIKMDIVHYOJSV-DEOSSOPVSA-N 2 2 397.526 3.933 20 0 GHADLP COc1cc(-c2nc3cccc(F)c3n2C2CC[NH2+]CC2)ccc1-n1cc[nH+]c1 ZINC001247029858 1037849849 /nfs/dbraw/zinc/84/98/49/1037849849.db2.gz KXXKFRZCHDZBAT-UHFFFAOYSA-N 2 2 391.450 3.961 20 0 GHADLP CC(C)(C)c1ccc(-c2noc([C@@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)cc1 ZINC001247124807 1037935843 /nfs/dbraw/zinc/93/58/43/1037935843.db2.gz FMDVRYGNSNERBW-KRWDZBQOSA-N 2 2 377.492 3.649 20 0 GHADLP Clc1ccc(Cl)c(-c2noc([C@@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)c1 ZINC001247125869 1037935898 /nfs/dbraw/zinc/93/58/98/1037935898.db2.gz IXZGDWAXOMSISZ-ZDUSSCGKSA-N 2 2 390.274 3.659 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cn4cc(F)ccc4n3)C[C@@H]21 ZINC001232411941 1038195916 /nfs/dbraw/zinc/19/59/16/1038195916.db2.gz GNRDKEADQPLDCU-BULFRSBZSA-N 2 2 393.510 3.601 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cn4cc(F)ccc4n3)C[C@@H]21 ZINC001232411941 1038195921 /nfs/dbraw/zinc/19/59/21/1038195921.db2.gz GNRDKEADQPLDCU-BULFRSBZSA-N 2 2 393.510 3.601 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cn4cc(F)ccc4n3)C[C@@H]21 ZINC001232411941 1038195923 /nfs/dbraw/zinc/19/59/23/1038195923.db2.gz GNRDKEADQPLDCU-BULFRSBZSA-N 2 2 393.510 3.601 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cn4cc(F)ccc4n3)C[C@@H]21 ZINC001232411941 1038195929 /nfs/dbraw/zinc/19/59/29/1038195929.db2.gz GNRDKEADQPLDCU-BULFRSBZSA-N 2 2 393.510 3.601 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3ccc(Cl)c(Br)c3)no2)cc1 ZINC001247696921 1038337297 /nfs/dbraw/zinc/33/72/97/1038337297.db2.gz AJAZQUYXKMIPFT-CQSZACIVSA-N 2 2 393.672 3.778 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(Br)c(C)n2)CC1 ZINC001232663190 1038455377 /nfs/dbraw/zinc/45/53/77/1038455377.db2.gz STNHYBINIJGVNE-UHFFFAOYSA-N 2 2 375.314 3.595 20 0 GHADLP CNc1ccccc1C[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001232671177 1038470486 /nfs/dbraw/zinc/47/04/86/1038470486.db2.gz WCXRWIADTRYCBO-OAQYLSRUSA-N 2 2 386.490 3.857 20 0 GHADLP CNc1ccccc1C[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001232671177 1038470492 /nfs/dbraw/zinc/47/04/92/1038470492.db2.gz WCXRWIADTRYCBO-OAQYLSRUSA-N 2 2 386.490 3.857 20 0 GHADLP CNc1ccccc1C[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001232671177 1038470497 /nfs/dbraw/zinc/47/04/97/1038470497.db2.gz WCXRWIADTRYCBO-OAQYLSRUSA-N 2 2 386.490 3.857 20 0 GHADLP CNc1ccccc1C[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001232671177 1038470502 /nfs/dbraw/zinc/47/05/02/1038470502.db2.gz WCXRWIADTRYCBO-OAQYLSRUSA-N 2 2 386.490 3.857 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c(OC)cc1C ZINC001232829630 1038581621 /nfs/dbraw/zinc/58/16/21/1038581621.db2.gz FTZSEVLRFRPMDJ-VXKWHMMOSA-N 2 2 380.532 3.884 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001252019479 1038814849 /nfs/dbraw/zinc/81/48/49/1038814849.db2.gz YGESKGIDYBJSOO-QUCCMNQESA-N 2 2 394.991 3.549 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001252019479 1038814873 /nfs/dbraw/zinc/81/48/73/1038814873.db2.gz YGESKGIDYBJSOO-QUCCMNQESA-N 2 2 394.991 3.549 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(O)c(OCC4CC4)c3)C2)C1 ZINC001233225856 1038986118 /nfs/dbraw/zinc/98/61/18/1038986118.db2.gz RLMMXXSPKUHOQK-QHCPKHFHSA-N 2 2 388.552 3.504 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(O)c(OCC4CC4)c3)C2)C1 ZINC001233225856 1038986126 /nfs/dbraw/zinc/98/61/26/1038986126.db2.gz RLMMXXSPKUHOQK-QHCPKHFHSA-N 2 2 388.552 3.504 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(O)c(OCC4CC4)c3)C2)C1 ZINC001233225856 1038986130 /nfs/dbraw/zinc/98/61/30/1038986130.db2.gz RLMMXXSPKUHOQK-QHCPKHFHSA-N 2 2 388.552 3.504 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(O)c(OCC4CC4)c3)C2)C1 ZINC001233225856 1038986135 /nfs/dbraw/zinc/98/61/35/1038986135.db2.gz RLMMXXSPKUHOQK-QHCPKHFHSA-N 2 2 388.552 3.504 20 0 GHADLP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC001233239307 1038997658 /nfs/dbraw/zinc/99/76/58/1038997658.db2.gz QWFXZBRYTKGILG-UHFFFAOYSA-N 2 2 377.879 3.858 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cccc(OCC3CCC3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001252949749 1039293477 /nfs/dbraw/zinc/29/34/77/1039293477.db2.gz SUPAHMNGLQKMSO-XMMPIXPASA-N 2 2 380.532 3.592 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cccc(OCC3CCC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252949749 1039293481 /nfs/dbraw/zinc/29/34/81/1039293481.db2.gz SUPAHMNGLQKMSO-XMMPIXPASA-N 2 2 380.532 3.592 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC001253152674 1039450895 /nfs/dbraw/zinc/45/08/95/1039450895.db2.gz COVOPCNMRQSURJ-FXAWDEMLSA-N 2 2 390.597 3.543 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001253152674 1039450900 /nfs/dbraw/zinc/45/09/00/1039450900.db2.gz COVOPCNMRQSURJ-FXAWDEMLSA-N 2 2 390.597 3.543 20 0 GHADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC001253216926 1039477677 /nfs/dbraw/zinc/47/76/77/1039477677.db2.gz QLJNRJBLGQECFE-YADHBBJMSA-N 2 2 390.955 3.890 20 0 GHADLP CCCCC[C@@H](O)C[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2ccccc2c1 ZINC001253560487 1039704117 /nfs/dbraw/zinc/70/41/17/1039704117.db2.gz MXOCVPVDWXVYLY-YADHBBJMSA-N 2 2 394.519 3.644 20 0 GHADLP CC[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cc(C)ccc1C ZINC001234558361 1040127721 /nfs/dbraw/zinc/12/77/21/1040127721.db2.gz JTJCXTVGGDUWOO-RBBKRZOGSA-N 2 2 386.584 3.564 20 0 GHADLP CC[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cc(C)ccc1C ZINC001234558361 1040127726 /nfs/dbraw/zinc/12/77/26/1040127726.db2.gz JTJCXTVGGDUWOO-RBBKRZOGSA-N 2 2 386.584 3.564 20 0 GHADLP Cc1[nH]c(C[NH+]2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)c(C)[nH+]1 ZINC001234626116 1040176755 /nfs/dbraw/zinc/17/67/55/1040176755.db2.gz CHKCCCXVHHORIT-UHFFFAOYSA-N 2 2 390.531 3.580 20 0 GHADLP CCC1([NH+]2CCCCC2)CCN(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CC1 ZINC001254399765 1040210218 /nfs/dbraw/zinc/21/02/18/1040210218.db2.gz NOZGOAHASLZHLR-NRFANRHFSA-N 2 2 384.568 3.613 20 0 GHADLP CCC1([NH+]2CCCCC2)CCN(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC001254399765 1040210228 /nfs/dbraw/zinc/21/02/28/1040210228.db2.gz NOZGOAHASLZHLR-NRFANRHFSA-N 2 2 384.568 3.613 20 0 GHADLP CC(C)CCO[C@@H]1CC[N@H+](Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001462465082 1070272961 /nfs/dbraw/zinc/27/29/61/1070272961.db2.gz DSAYYZOPHBWNLW-QGZVFWFLSA-N 2 2 384.467 3.707 20 0 GHADLP CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001462465082 1070272976 /nfs/dbraw/zinc/27/29/76/1070272976.db2.gz DSAYYZOPHBWNLW-QGZVFWFLSA-N 2 2 384.467 3.707 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1cc(F)cc3cc[nH]c31)CC2 ZINC001235024430 1040516277 /nfs/dbraw/zinc/51/62/77/1040516277.db2.gz LNXUVNCPLDZQSR-UHFFFAOYSA-N 2 2 379.479 3.953 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1cc(F)cc3cc[nH]c31)CC2 ZINC001235024430 1040516292 /nfs/dbraw/zinc/51/62/92/1040516292.db2.gz LNXUVNCPLDZQSR-UHFFFAOYSA-N 2 2 379.479 3.953 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CCC[C@@]1(C)O ZINC001235026917 1040517579 /nfs/dbraw/zinc/51/75/79/1040517579.db2.gz JJTHOTTXLLKXRJ-RDTXWAMCSA-N 2 2 378.314 3.618 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CCC[C@@]1(C)O ZINC001235026917 1040517595 /nfs/dbraw/zinc/51/75/95/1040517595.db2.gz JJTHOTTXLLKXRJ-RDTXWAMCSA-N 2 2 378.314 3.618 20 0 GHADLP COc1ccc(Cc2nnc(-c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)o2)cc1 ZINC001254814437 1040572692 /nfs/dbraw/zinc/57/26/92/1040572692.db2.gz XAMITHNLEKPRKW-UHFFFAOYSA-N 2 2 394.519 3.720 20 0 GHADLP COc1ccc(Cc2nnc(-c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)o2)cc1 ZINC001254814437 1040572698 /nfs/dbraw/zinc/57/26/98/1040572698.db2.gz XAMITHNLEKPRKW-UHFFFAOYSA-N 2 2 394.519 3.720 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)c2cc(Br)ccc21 ZINC001235093653 1040584091 /nfs/dbraw/zinc/58/40/91/1040584091.db2.gz ZAGXBELKYWORNX-QGZVFWFLSA-N 2 2 398.295 3.762 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)c2cc(Br)ccc21 ZINC001235093653 1040584106 /nfs/dbraw/zinc/58/41/06/1040584106.db2.gz ZAGXBELKYWORNX-QGZVFWFLSA-N 2 2 398.295 3.762 20 0 GHADLP FC(F)(F)c1ccc(CC2([NH2+][C@@H]3CC4CC[NH+](CC4)C3)CCOCC2)cc1 ZINC001254845226 1040588583 /nfs/dbraw/zinc/58/85/83/1040588583.db2.gz NYAFKFQTDYSYPV-LJQANCHMSA-N 2 2 382.470 3.871 20 0 GHADLP c1[nH]c2cccc(OCc3ccccc3)c2c1C[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235113213 1040599779 /nfs/dbraw/zinc/59/97/79/1040599779.db2.gz AIBZKQVPZOQBQF-XMMPIXPASA-N 2 2 391.515 3.701 20 0 GHADLP c1[nH]c2cccc(OCc3ccccc3)c2c1C[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235113213 1040599794 /nfs/dbraw/zinc/59/97/94/1040599794.db2.gz AIBZKQVPZOQBQF-XMMPIXPASA-N 2 2 391.515 3.701 20 0 GHADLP c1[nH]c2c(cccc2OCc2ccccc2)c1C[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235113775 1040601411 /nfs/dbraw/zinc/60/14/11/1040601411.db2.gz FTZBEZCNEVJIAI-XMMPIXPASA-N 2 2 391.515 3.701 20 0 GHADLP c1[nH]c2c(cccc2OCc2ccccc2)c1C[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235113775 1040601416 /nfs/dbraw/zinc/60/14/16/1040601416.db2.gz FTZBEZCNEVJIAI-XMMPIXPASA-N 2 2 391.515 3.701 20 0 GHADLP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2ccc(Oc3cccnc3)cc2)CC1 ZINC001235120271 1040612182 /nfs/dbraw/zinc/61/21/82/1040612182.db2.gz KWSCGQSAGMDEKD-UHFFFAOYSA-N 2 2 381.520 3.949 20 0 GHADLP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2ccc(Oc3cccnc3)cc2)CC1 ZINC001235120271 1040612208 /nfs/dbraw/zinc/61/22/08/1040612208.db2.gz KWSCGQSAGMDEKD-UHFFFAOYSA-N 2 2 381.520 3.949 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cn2)cc1 ZINC001235198277 1040687716 /nfs/dbraw/zinc/68/77/16/1040687716.db2.gz PNVASDJPVOKKQF-IAGOWNOFSA-N 2 2 377.410 3.689 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cn2)cc1 ZINC001235198277 1040687722 /nfs/dbraw/zinc/68/77/22/1040687722.db2.gz PNVASDJPVOKKQF-IAGOWNOFSA-N 2 2 377.410 3.689 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC001254987926 1040709406 /nfs/dbraw/zinc/70/94/06/1040709406.db2.gz XYEQLJNDLIIKGR-VJANTYMQSA-N 2 2 387.524 3.631 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC001254987926 1040709420 /nfs/dbraw/zinc/70/94/20/1040709420.db2.gz XYEQLJNDLIIKGR-VJANTYMQSA-N 2 2 387.524 3.631 20 0 GHADLP C[NH+]1CCC([N@H+](C2CCSCC2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001255094682 1040778470 /nfs/dbraw/zinc/77/84/70/1040778470.db2.gz DSTBJNAZINLLEO-UHFFFAOYSA-N 2 2 397.629 3.678 20 0 GHADLP C[NH+]1CCC([N@@H+](C2CCSCC2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001255094682 1040778486 /nfs/dbraw/zinc/77/84/86/1040778486.db2.gz DSTBJNAZINLLEO-UHFFFAOYSA-N 2 2 397.629 3.678 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(O)c1 ZINC001255131112 1040825178 /nfs/dbraw/zinc/82/51/78/1040825178.db2.gz YKMDGJVCNBCAHO-KGSLCBSSSA-N 2 2 394.515 3.782 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(O)c1 ZINC001255131112 1040825187 /nfs/dbraw/zinc/82/51/87/1040825187.db2.gz YKMDGJVCNBCAHO-KGSLCBSSSA-N 2 2 394.515 3.782 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(OC)c1Cl ZINC001235357604 1040836812 /nfs/dbraw/zinc/83/68/12/1040836812.db2.gz DTHSILVRISHPHM-XMSQKQJNSA-N 2 2 386.923 3.936 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(OC)c1Cl ZINC001235357604 1040836819 /nfs/dbraw/zinc/83/68/19/1040836819.db2.gz DTHSILVRISHPHM-XMSQKQJNSA-N 2 2 386.923 3.936 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(OC)c1Cl ZINC001235374122 1040883868 /nfs/dbraw/zinc/88/38/68/1040883868.db2.gz DTHSILVRISHPHM-GCJKJVERSA-N 2 2 386.923 3.936 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(OC)c1Cl ZINC001235374122 1040883880 /nfs/dbraw/zinc/88/38/80/1040883880.db2.gz DTHSILVRISHPHM-GCJKJVERSA-N 2 2 386.923 3.936 20 0 GHADLP COC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235379631 1040900300 /nfs/dbraw/zinc/90/03/00/1040900300.db2.gz IIOXCZDVDAIUAW-REWPJTCUSA-N 2 2 398.934 3.880 20 0 GHADLP COC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235379631 1040900302 /nfs/dbraw/zinc/90/03/02/1040900302.db2.gz IIOXCZDVDAIUAW-REWPJTCUSA-N 2 2 398.934 3.880 20 0 GHADLP COc1cncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001235467086 1040951202 /nfs/dbraw/zinc/95/12/02/1040951202.db2.gz VBQAWCIULXXXLX-YUXAGFNASA-N 2 2 380.536 3.526 20 0 GHADLP COc1cncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001235467086 1040951205 /nfs/dbraw/zinc/95/12/05/1040951205.db2.gz VBQAWCIULXXXLX-YUXAGFNASA-N 2 2 380.536 3.526 20 0 GHADLP COc1cncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001235467086 1040951216 /nfs/dbraw/zinc/95/12/16/1040951216.db2.gz VBQAWCIULXXXLX-YUXAGFNASA-N 2 2 380.536 3.526 20 0 GHADLP COc1cncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001235467086 1040951219 /nfs/dbraw/zinc/95/12/19/1040951219.db2.gz VBQAWCIULXXXLX-YUXAGFNASA-N 2 2 380.536 3.526 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H](c3nnc([C@H]4CCCN(c5cccc[nH+]5)C4)o3)C2)cc1 ZINC001255414299 1041006319 /nfs/dbraw/zinc/00/63/19/1041006319.db2.gz KYIWFNJUZVKBPE-PMACEKPBSA-N 2 2 389.503 3.838 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H](c3nnc([C@H]4CCCN(c5cccc[nH+]5)C4)o3)C2)cc1 ZINC001255414299 1041006337 /nfs/dbraw/zinc/00/63/37/1041006337.db2.gz KYIWFNJUZVKBPE-PMACEKPBSA-N 2 2 389.503 3.838 20 0 GHADLP COc1cccc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c1Cl ZINC001235649800 1041092982 /nfs/dbraw/zinc/09/29/82/1041092982.db2.gz UFALDMXJSWINID-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP COc1cccc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c1Cl ZINC001235649800 1041093006 /nfs/dbraw/zinc/09/30/06/1041093006.db2.gz UFALDMXJSWINID-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP CC1(C)C[C@H]([N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542478 1041120078 /nfs/dbraw/zinc/12/00/78/1041120078.db2.gz HMPNLNSSFXYCRK-UYAOXDASSA-N 2 2 379.495 3.572 20 0 GHADLP CC1(C)C[C@H]([N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542478 1041120084 /nfs/dbraw/zinc/12/00/84/1041120084.db2.gz HMPNLNSSFXYCRK-UYAOXDASSA-N 2 2 379.495 3.572 20 0 GHADLP CC1(C)C[C@H]([NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542478 1041120094 /nfs/dbraw/zinc/12/00/94/1041120094.db2.gz HMPNLNSSFXYCRK-UYAOXDASSA-N 2 2 379.495 3.572 20 0 GHADLP CC1(C)C[C@H]([NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542478 1041120102 /nfs/dbraw/zinc/12/01/02/1041120102.db2.gz HMPNLNSSFXYCRK-UYAOXDASSA-N 2 2 379.495 3.572 20 0 GHADLP COCCC[N@H+](Cc1ccc(-c2ccc(C(=O)OC)cc2)cc1)[C@H]1CCC[NH2+]C1 ZINC001235809144 1041319436 /nfs/dbraw/zinc/31/94/36/1041319436.db2.gz JAVHFBFSUCGNFO-QHCPKHFHSA-N 2 2 396.531 3.731 20 0 GHADLP COCCC[N@@H+](Cc1ccc(-c2ccc(C(=O)OC)cc2)cc1)[C@H]1CCC[NH2+]C1 ZINC001235809144 1041319451 /nfs/dbraw/zinc/31/94/51/1041319451.db2.gz JAVHFBFSUCGNFO-QHCPKHFHSA-N 2 2 396.531 3.731 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@]12CCC[N@@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256076301 1041511676 /nfs/dbraw/zinc/51/16/76/1041511676.db2.gz XMQQOEGDOJMDDK-QFIPXVFZSA-N 2 2 377.573 3.869 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@]12CCC[N@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256076301 1041511687 /nfs/dbraw/zinc/51/16/87/1041511687.db2.gz XMQQOEGDOJMDDK-QFIPXVFZSA-N 2 2 377.573 3.869 20 0 GHADLP CCOC(=O)C[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)[C@H](C)c1ccccc1 ZINC001236267037 1041647416 /nfs/dbraw/zinc/64/74/16/1041647416.db2.gz WOZNUKMYMRTCGC-GOSISDBHSA-N 2 2 391.515 3.871 20 0 GHADLP CCOC(=O)C[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)[C@H](C)c1ccccc1 ZINC001236267037 1041647426 /nfs/dbraw/zinc/64/74/26/1041647426.db2.gz WOZNUKMYMRTCGC-GOSISDBHSA-N 2 2 391.515 3.871 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236273779 1041648648 /nfs/dbraw/zinc/64/86/48/1041648648.db2.gz IMLFLXJGPYFMFG-GOTSBHOMSA-N 2 2 378.516 3.991 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236273779 1041648653 /nfs/dbraw/zinc/64/86/53/1041648653.db2.gz IMLFLXJGPYFMFG-GOTSBHOMSA-N 2 2 378.516 3.991 20 0 GHADLP Clc1ccc(-c2cc3n(n2)CC[N@H+](Cc2ccc4c(c2)CC[NH2+]C4)C3)cc1 ZINC001236321659 1041670259 /nfs/dbraw/zinc/67/02/59/1041670259.db2.gz ODCAAZQZDYYDEP-UHFFFAOYSA-N 2 2 378.907 3.865 20 0 GHADLP Clc1ccc(-c2cc3n(n2)CC[N@@H+](Cc2ccc4c(c2)CC[NH2+]C4)C3)cc1 ZINC001236321659 1041670263 /nfs/dbraw/zinc/67/02/63/1041670263.db2.gz ODCAAZQZDYYDEP-UHFFFAOYSA-N 2 2 378.907 3.865 20 0 GHADLP Fc1ccc(CN(Cc2c[nH+]cn2Cc2ccccc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236389840 1041695218 /nfs/dbraw/zinc/69/52/18/1041695218.db2.gz ALTCLHXFBCMTQS-JOCHJYFZSA-N 2 2 378.495 3.825 20 0 GHADLP CCOC(=O)c1cc(C[N@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)c[nH]1 ZINC001236454725 1041719852 /nfs/dbraw/zinc/71/98/52/1041719852.db2.gz PVLJSZRCJFPAAG-UHFFFAOYSA-N 2 2 375.900 3.599 20 0 GHADLP CCOC(=O)c1cc(C[N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)c[nH]1 ZINC001236454725 1041719855 /nfs/dbraw/zinc/71/98/55/1041719855.db2.gz PVLJSZRCJFPAAG-UHFFFAOYSA-N 2 2 375.900 3.599 20 0 GHADLP COC(=O)c1cccc(C[N@H+](Cc2c(C)cccc2OC)C2CC[NH2+]CC2)c1 ZINC001236466865 1041729567 /nfs/dbraw/zinc/72/95/67/1041729567.db2.gz LITANDSLVOINJV-UHFFFAOYSA-N 2 2 382.504 3.544 20 0 GHADLP COC(=O)c1cccc(C[N@@H+](Cc2c(C)cccc2OC)C2CC[NH2+]CC2)c1 ZINC001236466865 1041729572 /nfs/dbraw/zinc/72/95/72/1041729572.db2.gz LITANDSLVOINJV-UHFFFAOYSA-N 2 2 382.504 3.544 20 0 GHADLP CCOC1CCC([NH2+]C[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001256432497 1041730237 /nfs/dbraw/zinc/73/02/37/1041730237.db2.gz LLVCYGPMGWSJPI-OADZCNSWSA-N 2 2 396.575 3.987 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256468860 1041748190 /nfs/dbraw/zinc/74/81/90/1041748190.db2.gz BMOREDZIJIUXDE-IAGOWNOFSA-N 2 2 375.513 3.713 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001236604014 1041776622 /nfs/dbraw/zinc/77/66/22/1041776622.db2.gz GPTOSXYJKDHKQT-KCXAZCMYSA-N 2 2 378.385 3.570 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001236604014 1041776628 /nfs/dbraw/zinc/77/66/28/1041776628.db2.gz GPTOSXYJKDHKQT-KCXAZCMYSA-N 2 2 378.385 3.570 20 0 GHADLP CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC[C@@H]21 ZINC001236903996 1041948320 /nfs/dbraw/zinc/94/83/20/1041948320.db2.gz LDXMQSBAWWAQGL-MJGOQNOKSA-N 2 2 386.927 3.605 20 0 GHADLP CC(C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC[C@@H]21 ZINC001236903996 1041948325 /nfs/dbraw/zinc/94/83/25/1041948325.db2.gz LDXMQSBAWWAQGL-MJGOQNOKSA-N 2 2 386.927 3.605 20 0 GHADLP O=C(NC1CCC1)[C@@H]1CC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)CC2 ZINC001236916577 1041957226 /nfs/dbraw/zinc/95/72/26/1041957226.db2.gz FZBDMCQXZGIUDV-IBGZPJMESA-N 2 2 398.938 3.797 20 0 GHADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1ccc(C3CCC3)cc1)CCC2 ZINC001237105494 1042039262 /nfs/dbraw/zinc/03/92/62/1042039262.db2.gz PAROGWYQGLHIIG-UHFFFAOYSA-N 2 2 394.563 3.759 20 0 GHADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](Cc1ccc(C3CCC3)cc1)CCC2 ZINC001237105494 1042039269 /nfs/dbraw/zinc/03/92/69/1042039269.db2.gz PAROGWYQGLHIIG-UHFFFAOYSA-N 2 2 394.563 3.759 20 0 GHADLP O=C1CCC2(CC[NH+](Cc3ccsc3Cl)CC2)CN1CCn1cc[nH+]c1 ZINC001278071748 1042102158 /nfs/dbraw/zinc/10/21/58/1042102158.db2.gz WODURHSARSJMRT-UHFFFAOYSA-N 2 2 392.956 3.503 20 0 GHADLP COC(=O)c1cccc2[nH]cc(C[NH+]3CCC4(CC3)[NH2+]Cc3ccccc34)c21 ZINC001237365548 1042173697 /nfs/dbraw/zinc/17/36/97/1042173697.db2.gz HMQTVDQVNOLZMN-UHFFFAOYSA-N 2 2 375.472 3.549 20 0 GHADLP Brc1cnc2[nH]cc(C[NH+]3CCC4(CC3)[NH2+]Cc3ccccc34)c2c1 ZINC001237367302 1042174594 /nfs/dbraw/zinc/17/45/94/1042174594.db2.gz XIONCQYAKSAVRL-UHFFFAOYSA-N 2 2 397.320 3.920 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)C1 ZINC001237424921 1042202025 /nfs/dbraw/zinc/20/20/25/1042202025.db2.gz KCVQQKKPUHXNEE-GOSISDBHSA-N 2 2 399.510 3.613 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)C1 ZINC001237424921 1042202032 /nfs/dbraw/zinc/20/20/32/1042202032.db2.gz KCVQQKKPUHXNEE-GOSISDBHSA-N 2 2 399.510 3.613 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)C1 ZINC001237424923 1042202231 /nfs/dbraw/zinc/20/22/31/1042202231.db2.gz KCVQQKKPUHXNEE-SFHVURJKSA-N 2 2 399.510 3.613 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)C1 ZINC001237424923 1042202234 /nfs/dbraw/zinc/20/22/34/1042202234.db2.gz KCVQQKKPUHXNEE-SFHVURJKSA-N 2 2 399.510 3.613 20 0 GHADLP C[NH+](C)CCCN1CC[NH+](Cc2sc3ccccc3c2Br)CC1 ZINC001237585152 1042273537 /nfs/dbraw/zinc/27/35/37/1042273537.db2.gz ISKRJYNJAWJVHH-UHFFFAOYSA-N 2 2 396.398 3.733 20 0 GHADLP Clc1ccc(CCC[N@@H+]2CC[C@H]3[C@@H]2CCN3CCn2cc[nH+]c2)cc1Cl ZINC001278122715 1042287556 /nfs/dbraw/zinc/28/75/56/1042287556.db2.gz MBPGVWGRNMUTJX-PMACEKPBSA-N 2 2 393.362 3.971 20 0 GHADLP Clc1ccc(CCC[N@H+]2CC[C@H]3[C@@H]2CCN3CCn2cc[nH+]c2)cc1Cl ZINC001278122715 1042287559 /nfs/dbraw/zinc/28/75/59/1042287559.db2.gz MBPGVWGRNMUTJX-PMACEKPBSA-N 2 2 393.362 3.971 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4ccsc4C)CC[C@@H]3C2)cs1 ZINC001237967625 1042440099 /nfs/dbraw/zinc/44/00/99/1042440099.db2.gz YQVYARUETSRMKT-IEBWSBKVSA-N 2 2 377.579 3.544 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4ccsc4C)CC[C@@H]3C2)cs1 ZINC001237967625 1042440100 /nfs/dbraw/zinc/44/01/00/1042440100.db2.gz YQVYARUETSRMKT-IEBWSBKVSA-N 2 2 377.579 3.544 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4ccsc4C)CC[C@@H]3C2)cs1 ZINC001237967625 1042440101 /nfs/dbraw/zinc/44/01/01/1042440101.db2.gz YQVYARUETSRMKT-IEBWSBKVSA-N 2 2 377.579 3.544 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4ccsc4C)CC[C@@H]3C2)cs1 ZINC001237967625 1042440102 /nfs/dbraw/zinc/44/01/02/1042440102.db2.gz YQVYARUETSRMKT-IEBWSBKVSA-N 2 2 377.579 3.544 20 0 GHADLP COc1c(Br)cc(C)cc1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001238331593 1042559057 /nfs/dbraw/zinc/55/90/57/1042559057.db2.gz ILGNGAGVKYGCTG-UHFFFAOYSA-N 2 2 390.325 3.792 20 0 GHADLP CCOc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c(Cl)c1 ZINC001238397000 1042583208 /nfs/dbraw/zinc/58/32/08/1042583208.db2.gz PLZWULSRRSXYDZ-DENIHFKCSA-N 2 2 392.971 3.919 20 0 GHADLP CCOc1ccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c(Cl)c1 ZINC001238397000 1042583212 /nfs/dbraw/zinc/58/32/12/1042583212.db2.gz PLZWULSRRSXYDZ-DENIHFKCSA-N 2 2 392.971 3.919 20 0 GHADLP CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c(Cl)c1 ZINC001238397000 1042583216 /nfs/dbraw/zinc/58/32/16/1042583216.db2.gz PLZWULSRRSXYDZ-DENIHFKCSA-N 2 2 392.971 3.919 20 0 GHADLP CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c(Cl)c1 ZINC001238397000 1042583219 /nfs/dbraw/zinc/58/32/19/1042583219.db2.gz PLZWULSRRSXYDZ-DENIHFKCSA-N 2 2 392.971 3.919 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(OC(C)C)c1F)C2 ZINC001238422704 1042591988 /nfs/dbraw/zinc/59/19/88/1042591988.db2.gz MFFITSAEGNRYMA-OFNKIYASSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(OC(C)C)c1F)C2 ZINC001238422704 1042591992 /nfs/dbraw/zinc/59/19/92/1042591992.db2.gz MFFITSAEGNRYMA-OFNKIYASSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(OC(C)C)c1F)C2 ZINC001238422704 1042591996 /nfs/dbraw/zinc/59/19/96/1042591996.db2.gz MFFITSAEGNRYMA-OFNKIYASSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(OC(C)C)c1F)C2 ZINC001238422704 1042591999 /nfs/dbraw/zinc/59/19/99/1042591999.db2.gz MFFITSAEGNRYMA-OFNKIYASSA-N 2 2 390.543 3.793 20 0 GHADLP COc1ccc(-c2ccc(F)cc2OC)cc1C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001238649368 1042669266 /nfs/dbraw/zinc/66/92/66/1042669266.db2.gz PGMQZOOBWHKHSZ-WZONZLPQSA-N 2 2 384.495 3.893 20 0 GHADLP COc1ccc(-c2ccc(F)cc2OC)cc1C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001238649368 1042669268 /nfs/dbraw/zinc/66/92/68/1042669268.db2.gz PGMQZOOBWHKHSZ-WZONZLPQSA-N 2 2 384.495 3.893 20 0 GHADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(OC)ccc2-c2ccncc2)CC1 ZINC001238652058 1042670864 /nfs/dbraw/zinc/67/08/64/1042670864.db2.gz PILXNTYCCLOWJR-JOCHJYFZSA-N 2 2 395.547 3.832 20 0 GHADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(OC)ccc2-c2ccncc2)CC1 ZINC001238652058 1042670867 /nfs/dbraw/zinc/67/08/67/1042670867.db2.gz PILXNTYCCLOWJR-JOCHJYFZSA-N 2 2 395.547 3.832 20 0 GHADLP CSc1ncc(C)cc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001238713315 1042697761 /nfs/dbraw/zinc/69/77/61/1042697761.db2.gz KOYZSBRDZUDABK-GIVPXCGWSA-N 2 2 399.608 3.682 20 0 GHADLP CSc1ncc(C)cc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001238713315 1042697766 /nfs/dbraw/zinc/69/77/66/1042697766.db2.gz KOYZSBRDZUDABK-GIVPXCGWSA-N 2 2 399.608 3.682 20 0 GHADLP CSc1ncc(C)cc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001238713315 1042697767 /nfs/dbraw/zinc/69/77/67/1042697767.db2.gz KOYZSBRDZUDABK-GIVPXCGWSA-N 2 2 399.608 3.682 20 0 GHADLP CSc1ncc(C)cc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001238713315 1042697769 /nfs/dbraw/zinc/69/77/69/1042697769.db2.gz KOYZSBRDZUDABK-GIVPXCGWSA-N 2 2 399.608 3.682 20 0 GHADLP C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3ccc(C[NH+]4CCOCC4)nc3)cc12 ZINC001239591044 1042838349 /nfs/dbraw/zinc/83/83/49/1042838349.db2.gz XHPSKMKSIMOMIL-JOCHJYFZSA-N 2 2 390.531 3.699 20 0 GHADLP C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3ccc(C[NH+]4CCOCC4)nc3)cc12 ZINC001239591044 1042838351 /nfs/dbraw/zinc/83/83/51/1042838351.db2.gz XHPSKMKSIMOMIL-JOCHJYFZSA-N 2 2 390.531 3.699 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3NC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001256527904 1043455704 /nfs/dbraw/zinc/45/57/04/1043455704.db2.gz BDWGTHXWSGOBDD-QFIXIFRTSA-N 2 2 383.923 3.846 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3NC2=O)CC[N@H+]1Cc1ccccc1 ZINC001256527904 1043455714 /nfs/dbraw/zinc/45/57/14/1043455714.db2.gz BDWGTHXWSGOBDD-QFIXIFRTSA-N 2 2 383.923 3.846 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(OC)c1 ZINC001256535156 1043472631 /nfs/dbraw/zinc/47/26/31/1043472631.db2.gz DGCZQTJJFICLSZ-AAIMPIBUSA-N 2 2 396.531 3.942 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(OC)c1 ZINC001256535156 1043472643 /nfs/dbraw/zinc/47/26/43/1043472643.db2.gz DGCZQTJJFICLSZ-AAIMPIBUSA-N 2 2 396.531 3.942 20 0 GHADLP COc1cccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001256535431 1043475817 /nfs/dbraw/zinc/47/58/17/1043475817.db2.gz ZIMYBQXAHQCLFE-QDSKXPNFSA-N 2 2 393.575 3.912 20 0 GHADLP COc1cccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001256535431 1043475828 /nfs/dbraw/zinc/47/58/28/1043475828.db2.gz ZIMYBQXAHQCLFE-QDSKXPNFSA-N 2 2 393.575 3.912 20 0 GHADLP COc1cccc(C[NH+]2CC[C@H](N[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001256535431 1043475845 /nfs/dbraw/zinc/47/58/45/1043475845.db2.gz ZIMYBQXAHQCLFE-QDSKXPNFSA-N 2 2 393.575 3.912 20 0 GHADLP COc1cccc(C[NH+]2CC[C@H](N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001256535431 1043475857 /nfs/dbraw/zinc/47/58/57/1043475857.db2.gz ZIMYBQXAHQCLFE-QDSKXPNFSA-N 2 2 393.575 3.912 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256536810 1043481218 /nfs/dbraw/zinc/48/12/18/1043481218.db2.gz GBTJNTFXCBCBMD-NMIHRBCNSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001256536810 1043481226 /nfs/dbraw/zinc/48/12/26/1043481226.db2.gz GBTJNTFXCBCBMD-NMIHRBCNSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC[NH+]1Cc1ccccc1 ZINC001256536810 1043481234 /nfs/dbraw/zinc/48/12/34/1043481234.db2.gz GBTJNTFXCBCBMD-NMIHRBCNSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC[NH+]1Cc1ccccc1 ZINC001256536810 1043481241 /nfs/dbraw/zinc/48/12/41/1043481241.db2.gz GBTJNTFXCBCBMD-NMIHRBCNSA-N 2 2 399.579 3.981 20 0 GHADLP COc1ccccc1N1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256538301 1043483306 /nfs/dbraw/zinc/48/33/06/1043483306.db2.gz RSFHFUGPFXYSDJ-IFMALSPDSA-N 2 2 379.548 3.870 20 0 GHADLP COc1ccccc1N1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256538301 1043483315 /nfs/dbraw/zinc/48/33/15/1043483315.db2.gz RSFHFUGPFXYSDJ-IFMALSPDSA-N 2 2 379.548 3.870 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CCO2 ZINC001256537593 1043484736 /nfs/dbraw/zinc/48/47/36/1043484736.db2.gz OOGIMNVLGRBFCQ-UCNVEGJOSA-N 2 2 394.515 3.940 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CCO2 ZINC001256537593 1043484755 /nfs/dbraw/zinc/48/47/55/1043484755.db2.gz OOGIMNVLGRBFCQ-UCNVEGJOSA-N 2 2 394.515 3.940 20 0 GHADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)Cc2ccccc21 ZINC001256559250 1043531933 /nfs/dbraw/zinc/53/19/33/1043531933.db2.gz KATCNIMQCZNQHW-QTGUNEKASA-N 2 2 378.516 3.812 20 0 GHADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)Cc2ccccc21 ZINC001256559250 1043531946 /nfs/dbraw/zinc/53/19/46/1043531946.db2.gz KATCNIMQCZNQHW-QTGUNEKASA-N 2 2 378.516 3.812 20 0 GHADLP COC(=O)[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)Cc2ccccc21 ZINC001256559250 1043531956 /nfs/dbraw/zinc/53/19/56/1043531956.db2.gz KATCNIMQCZNQHW-QTGUNEKASA-N 2 2 378.516 3.812 20 0 GHADLP COC(=O)[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)Cc2ccccc21 ZINC001256559250 1043531971 /nfs/dbraw/zinc/53/19/71/1043531971.db2.gz KATCNIMQCZNQHW-QTGUNEKASA-N 2 2 378.516 3.812 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256559233 1043532342 /nfs/dbraw/zinc/53/23/42/1043532342.db2.gz ZNVJXVVMUYRBSR-VJBMBRPKSA-N 2 2 389.543 3.770 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CC[N@H+]1Cc1ccccc1 ZINC001256559233 1043532351 /nfs/dbraw/zinc/53/23/51/1043532351.db2.gz ZNVJXVVMUYRBSR-VJBMBRPKSA-N 2 2 389.543 3.770 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CC[NH+]1Cc1ccccc1 ZINC001256559233 1043532366 /nfs/dbraw/zinc/53/23/66/1043532366.db2.gz ZNVJXVVMUYRBSR-VJBMBRPKSA-N 2 2 389.543 3.770 20 0 GHADLP C[C@H]1C[C@@H]([N@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CC[NH+]1Cc1ccccc1 ZINC001256559233 1043532378 /nfs/dbraw/zinc/53/23/78/1043532378.db2.gz ZNVJXVVMUYRBSR-VJBMBRPKSA-N 2 2 389.543 3.770 20 0 GHADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001256571398 1043545194 /nfs/dbraw/zinc/54/51/94/1043545194.db2.gz YPIXNBSDWPVJRV-NRFANRHFSA-N 2 2 375.582 3.830 20 0 GHADLP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001256571398 1043545201 /nfs/dbraw/zinc/54/52/01/1043545201.db2.gz YPIXNBSDWPVJRV-NRFANRHFSA-N 2 2 375.582 3.830 20 0 GHADLP C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC001256597148 1043561549 /nfs/dbraw/zinc/56/15/49/1043561549.db2.gz ZYHFMYQPUIBHKG-IBGZPJMESA-N 2 2 382.527 3.564 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2C1CC[NH+](Cc2ccccc2)CC1 ZINC001256606204 1043571316 /nfs/dbraw/zinc/57/13/16/1043571316.db2.gz RDZCIQIWQPZYND-UHFFFAOYSA-N 2 2 385.552 3.736 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2C1CC[NH+](Cc2ccccc2)CC1 ZINC001256606204 1043571322 /nfs/dbraw/zinc/57/13/22/1043571322.db2.gz RDZCIQIWQPZYND-UHFFFAOYSA-N 2 2 385.552 3.736 20 0 GHADLP c1ccc(CN2CC[C@H]3C[N@@H+](C4CC[NH+](Cc5ccccc5)CC4)C[C@H]32)cc1 ZINC001256611917 1043575722 /nfs/dbraw/zinc/57/57/22/1043575722.db2.gz ZTFFHHFILCONDD-UKILVPOCSA-N 2 2 375.560 3.857 20 0 GHADLP c1ccc(CN2CC[C@H]3C[N@H+](C4CC[NH+](Cc5ccccc5)CC4)C[C@H]32)cc1 ZINC001256611917 1043575727 /nfs/dbraw/zinc/57/57/27/1043575727.db2.gz ZTFFHHFILCONDD-UKILVPOCSA-N 2 2 375.560 3.857 20 0 GHADLP O=c1oc2ccccc2n1C1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256611756 1043576272 /nfs/dbraw/zinc/57/62/72/1043576272.db2.gz WQUWFJWVDIMNGE-UHFFFAOYSA-N 2 2 391.515 3.896 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)cs1 ZINC001256790078 1043653666 /nfs/dbraw/zinc/65/36/66/1043653666.db2.gz PGDWYVWSSJVUMN-PKOBYXMFSA-N 2 2 391.606 3.948 20 0 GHADLP Fc1ccc(CN2CCC([NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)CC2)c(F)c1 ZINC001256909288 1043735562 /nfs/dbraw/zinc/73/55/62/1043735562.db2.gz SZZHPUZYTBAQNF-HXUWFJFHSA-N 2 2 377.523 3.926 20 0 GHADLP Fc1ccc(CN2CCC([NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)CC2)c(F)c1 ZINC001256909288 1043735575 /nfs/dbraw/zinc/73/55/75/1043735575.db2.gz SZZHPUZYTBAQNF-HXUWFJFHSA-N 2 2 377.523 3.926 20 0 GHADLP CC(C)[C@@H]([NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001256911042 1043736198 /nfs/dbraw/zinc/73/61/98/1043736198.db2.gz IBQKTRZYGUHNDI-AZUAARDMSA-N 2 2 379.589 3.875 20 0 GHADLP CC(C)[C@@H]([NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001256911042 1043736212 /nfs/dbraw/zinc/73/62/12/1043736212.db2.gz IBQKTRZYGUHNDI-AZUAARDMSA-N 2 2 379.589 3.875 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CCN1C(=O)OC(C)(C)C ZINC001257132501 1043880878 /nfs/dbraw/zinc/88/08/78/1043880878.db2.gz PGLNTBNOLXYSCI-MOPGFXCFSA-N 2 2 377.573 3.582 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CCN1C(=O)OC(C)(C)C ZINC001257132501 1043880898 /nfs/dbraw/zinc/88/08/98/1043880898.db2.gz PGLNTBNOLXYSCI-MOPGFXCFSA-N 2 2 377.573 3.582 20 0 GHADLP CC(C)[C@H]1C[C@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CCN1C(=O)OC(C)(C)C ZINC001257194233 1043929375 /nfs/dbraw/zinc/92/93/75/1043929375.db2.gz UWKDFAMDMFKVLS-WOJBJXKFSA-N 2 2 391.600 3.828 20 0 GHADLP CC(C)[C@H]1C[C@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CCN1C(=O)OC(C)(C)C ZINC001257194233 1043929380 /nfs/dbraw/zinc/92/93/80/1043929380.db2.gz UWKDFAMDMFKVLS-WOJBJXKFSA-N 2 2 391.600 3.828 20 0 GHADLP CC(C)C[NH+]1CCC([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001258014225 1044340945 /nfs/dbraw/zinc/34/09/45/1044340945.db2.gz GEFXCGHOPPZAMX-NKKJXINNSA-N 3 2 384.612 3.734 20 0 GHADLP CC(C)C[NH+]1CCC([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001258014225 1044340957 /nfs/dbraw/zinc/34/09/57/1044340957.db2.gz GEFXCGHOPPZAMX-NKKJXINNSA-N 3 2 384.612 3.734 20 0 GHADLP CC(C)C[NH+]1CCC([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001258014225 1044340973 /nfs/dbraw/zinc/34/09/73/1044340973.db2.gz GEFXCGHOPPZAMX-NKKJXINNSA-N 3 2 384.612 3.734 20 0 GHADLP CC(C)C[NH+]1CCC([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001258014225 1044340991 /nfs/dbraw/zinc/34/09/91/1044340991.db2.gz GEFXCGHOPPZAMX-NKKJXINNSA-N 3 2 384.612 3.734 20 0 GHADLP c1csc(C[NH+]2C[C@@H]3C[N@H+](C4CC[NH+](CCc5ccccc5)CC4)C[C@@H]3C2)c1 ZINC001258141827 1044427450 /nfs/dbraw/zinc/42/74/50/1044427450.db2.gz DJMJTODJMUYDPB-SZPZYZBQSA-N 3 2 395.616 3.819 20 0 GHADLP c1csc(C[NH+]2C[C@@H]3C[N@@H+](C4CC[NH+](CCc5ccccc5)CC4)C[C@@H]3C2)c1 ZINC001258141827 1044427453 /nfs/dbraw/zinc/42/74/53/1044427453.db2.gz DJMJTODJMUYDPB-SZPZYZBQSA-N 3 2 395.616 3.819 20 0 GHADLP c1csc(C[N@@H+]2C[C@@H]3C[NH+](C4CC[NH+](CCc5ccccc5)CC4)C[C@@H]3C2)c1 ZINC001258141827 1044427457 /nfs/dbraw/zinc/42/74/57/1044427457.db2.gz DJMJTODJMUYDPB-SZPZYZBQSA-N 3 2 395.616 3.819 20 0 GHADLP c1csc(C[N@H+]2C[C@@H]3C[NH+](C4CC[NH+](CCc5ccccc5)CC4)C[C@@H]3C2)c1 ZINC001258141827 1044427459 /nfs/dbraw/zinc/42/74/59/1044427459.db2.gz DJMJTODJMUYDPB-SZPZYZBQSA-N 3 2 395.616 3.819 20 0 GHADLP Fc1ccc(N2CC[NH+](C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1F ZINC001258140866 1044427790 /nfs/dbraw/zinc/42/77/90/1044427790.db2.gz LXUNNYKJBBLMDT-UHFFFAOYSA-N 2 2 385.502 3.794 20 0 GHADLP CSC(C)(C)C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258328869 1044507590 /nfs/dbraw/zinc/50/75/90/1044507590.db2.gz ZPWWSJJYFZPVCJ-FUHWJXTLSA-N 2 2 399.645 3.970 20 0 GHADLP CCCCC[C@H](CCC)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001258671758 1044704674 /nfs/dbraw/zinc/70/46/74/1044704674.db2.gz QRZJIWNXIVPUFX-UXHICEINSA-N 2 2 375.605 3.756 20 0 GHADLP CCCCC[C@H](CCC)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001258671758 1044704688 /nfs/dbraw/zinc/70/46/88/1044704688.db2.gz QRZJIWNXIVPUFX-UXHICEINSA-N 2 2 375.605 3.756 20 0 GHADLP CCCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001258709067 1044724705 /nfs/dbraw/zinc/72/47/05/1044724705.db2.gz GIWNGNVCEVVEJS-TZRRMPRUSA-N 2 2 380.580 3.975 20 0 GHADLP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001258709067 1044724720 /nfs/dbraw/zinc/72/47/20/1044724720.db2.gz GIWNGNVCEVVEJS-TZRRMPRUSA-N 2 2 380.580 3.975 20 0 GHADLP CCCC[C@H](Cc1ccccc1)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001258709067 1044724739 /nfs/dbraw/zinc/72/47/39/1044724739.db2.gz GIWNGNVCEVVEJS-TZRRMPRUSA-N 2 2 380.580 3.975 20 0 GHADLP CCCC[C@H](Cc1ccccc1)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001258709067 1044724755 /nfs/dbraw/zinc/72/47/55/1044724755.db2.gz GIWNGNVCEVVEJS-TZRRMPRUSA-N 2 2 380.580 3.975 20 0 GHADLP CCCC[C@@H](Cc1ccccc1)[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001258712819 1044730644 /nfs/dbraw/zinc/73/06/44/1044730644.db2.gz YIUCUCJVUHHCOS-NRFANRHFSA-N 2 2 377.536 3.788 20 0 GHADLP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001258712819 1044730662 /nfs/dbraw/zinc/73/06/62/1044730662.db2.gz YIUCUCJVUHHCOS-NRFANRHFSA-N 2 2 377.536 3.788 20 0 GHADLP COc1ccccc1C[C@@H](C)[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001258890190 1044845580 /nfs/dbraw/zinc/84/55/80/1044845580.db2.gz UGTJTXIMAFLNKW-LJQANCHMSA-N 2 2 384.520 3.586 20 0 GHADLP COc1ccccc1C[C@@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001258890190 1044845602 /nfs/dbraw/zinc/84/56/02/1044845602.db2.gz UGTJTXIMAFLNKW-LJQANCHMSA-N 2 2 384.520 3.586 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC001295136233 1044927584 /nfs/dbraw/zinc/92/75/84/1044927584.db2.gz GAJVTSCOPSRTEI-QHCPKHFHSA-N 2 2 393.531 3.547 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC001295136233 1044927588 /nfs/dbraw/zinc/92/75/88/1044927588.db2.gz GAJVTSCOPSRTEI-QHCPKHFHSA-N 2 2 393.531 3.547 20 0 GHADLP C[NH2+][C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2C)C1)c1cccc(Cl)c1Cl ZINC000662448921 1045143150 /nfs/dbraw/zinc/14/31/50/1045143150.db2.gz RAIAVXARJUFEHR-GUYCJALGSA-N 2 2 381.307 3.623 20 0 GHADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(Cl)ccc(Cl)c1Cl)C2 ZINC001279266799 1047751650 /nfs/dbraw/zinc/75/16/50/1047751650.db2.gz HMQPJRCXINCPBE-OLZOCXBDSA-N 2 2 376.759 3.715 20 0 GHADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(Cl)ccc(Cl)c1Cl)C2 ZINC001279266799 1047751652 /nfs/dbraw/zinc/75/16/52/1047751652.db2.gz HMQPJRCXINCPBE-OLZOCXBDSA-N 2 2 376.759 3.715 20 0 GHADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3cc(F)c(Cl)cc3F)C2)C1 ZINC001279302929 1047761314 /nfs/dbraw/zinc/76/13/14/1047761314.db2.gz SKFHRIPPIVGJHA-HXUWFJFHSA-N 2 2 385.930 3.858 20 0 GHADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3cc(F)c(Cl)cc3F)C2)C1 ZINC001279302929 1047761317 /nfs/dbraw/zinc/76/13/17/1047761317.db2.gz SKFHRIPPIVGJHA-HXUWFJFHSA-N 2 2 385.930 3.858 20 0 GHADLP COc1c(Cl)ccc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c1F ZINC001279611265 1047867715 /nfs/dbraw/zinc/86/77/15/1047867715.db2.gz UWZZGWMKHLQZNG-UHFFFAOYSA-N 2 2 377.891 3.914 20 0 GHADLP Cc1ccc(Br)c(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)c1 ZINC001279663691 1047904213 /nfs/dbraw/zinc/90/42/13/1047904213.db2.gz BCSOIZMCSKPOCU-UHFFFAOYSA-N 2 2 394.401 3.607 20 0 GHADLP CCn1ccnc1C[NH+]1CC2(C1)CC[NH+](Cc1cc(Cl)cnc1Cl)CC2 ZINC001279707663 1047925863 /nfs/dbraw/zinc/92/58/63/1047925863.db2.gz BQCNMFKZANOMIJ-UHFFFAOYSA-N 2 2 394.350 3.703 20 0 GHADLP COc1nccc(Cl)c1C[NH+]1CCC2(C[NH+](Cc3scnc3C)C2)CC1 ZINC001279895825 1047982293 /nfs/dbraw/zinc/98/22/93/1047982293.db2.gz BYWDGTMFJULHQG-UHFFFAOYSA-N 2 2 392.956 3.607 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)CCCO2 ZINC001307945251 1049715264 /nfs/dbraw/zinc/71/52/64/1049715264.db2.gz BRQXSAYHNFYJCQ-HXUWFJFHSA-N 2 2 379.548 3.875 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC001290052868 1049720177 /nfs/dbraw/zinc/72/01/77/1049720177.db2.gz YANOJGCPHKPDAN-QHCPKHFHSA-N 2 2 379.548 3.722 20 0 GHADLP C[C@@H](C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)C[NH+]1CCCCC1 ZINC001308215819 1049915708 /nfs/dbraw/zinc/91/57/08/1049915708.db2.gz GKXBFHWAZGLMEU-SFHVURJKSA-N 3 2 390.959 3.827 20 0 GHADLP CC1(C)[C@H]([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)[C@@H]2CCO[C@H]21 ZINC001308279645 1049935022 /nfs/dbraw/zinc/93/50/22/1049935022.db2.gz BPMOOHRNDIAMGB-KFKAGJAMSA-N 2 2 375.900 3.519 20 0 GHADLP C[C@@H]([NH2+]Cc1sc(N(C)C)nc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001308643693 1050045289 /nfs/dbraw/zinc/04/52/89/1050045289.db2.gz RLIACPKEGUCSGH-GDBMZVCRSA-N 2 2 378.973 3.863 20 0 GHADLP C[C@@H]([NH2+]Cc1sc(N(C)C)nc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308643693 1050045293 /nfs/dbraw/zinc/04/52/93/1050045293.db2.gz RLIACPKEGUCSGH-GDBMZVCRSA-N 2 2 378.973 3.863 20 0 GHADLP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001311026763 1051783007 /nfs/dbraw/zinc/78/30/07/1051783007.db2.gz NMRDCQZAAVNNMI-HXUWFJFHSA-N 2 2 377.492 3.709 20 0 GHADLP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001311026763 1051783020 /nfs/dbraw/zinc/78/30/20/1051783020.db2.gz NMRDCQZAAVNNMI-HXUWFJFHSA-N 2 2 377.492 3.709 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC001311433554 1052141304 /nfs/dbraw/zinc/14/13/04/1052141304.db2.gz IEMGXAKBLUFWGB-SFHVURJKSA-N 2 2 392.613 3.791 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCc1cccc(Br)c1 ZINC001318553200 1054716341 /nfs/dbraw/zinc/71/63/41/1054716341.db2.gz PBLHZUZADPCGFL-UHFFFAOYSA-N 2 2 385.265 3.910 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(C)c2)cn1 ZINC001318885842 1054934558 /nfs/dbraw/zinc/93/45/58/1054934558.db2.gz HSPUQYWNYHHEKP-OAQYLSRUSA-N 2 2 389.503 3.877 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(C)c2)cn1 ZINC001318885842 1054934560 /nfs/dbraw/zinc/93/45/60/1054934560.db2.gz HSPUQYWNYHHEKP-OAQYLSRUSA-N 2 2 389.503 3.877 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)C[C@@H]2C1 ZINC000848568265 1057184171 /nfs/dbraw/zinc/18/41/71/1057184171.db2.gz CHCCLRIQOPTAIX-PXTPFGJHSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)C[C@@H]2C1 ZINC000848568265 1057184174 /nfs/dbraw/zinc/18/41/74/1057184174.db2.gz CHCCLRIQOPTAIX-PXTPFGJHSA-N 2 2 377.573 3.629 20 0 GHADLP CC[N@H+](Cc1cnc(Cl)n1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000848884051 1057394653 /nfs/dbraw/zinc/39/46/53/1057394653.db2.gz HRECOOGFUWZEEJ-UHFFFAOYSA-N 2 2 390.963 3.786 20 0 GHADLP CC[N@@H+](Cc1cnc(Cl)n1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000848884051 1057394659 /nfs/dbraw/zinc/39/46/59/1057394659.db2.gz HRECOOGFUWZEEJ-UHFFFAOYSA-N 2 2 390.963 3.786 20 0 GHADLP COC(=O)/C=C\c1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000848885215 1057395227 /nfs/dbraw/zinc/39/52/27/1057395227.db2.gz RHRWGWQKHWFABG-IACUCBDGSA-N 2 2 382.504 3.951 20 0 GHADLP COC(=O)/C=C\c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000848885215 1057395229 /nfs/dbraw/zinc/39/52/29/1057395229.db2.gz RHRWGWQKHWFABG-IACUCBDGSA-N 2 2 382.504 3.951 20 0 GHADLP COC(=O)/C=C\c1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000848885215 1057395234 /nfs/dbraw/zinc/39/52/34/1057395234.db2.gz RHRWGWQKHWFABG-IACUCBDGSA-N 2 2 382.504 3.951 20 0 GHADLP COC(=O)/C=C\c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000848885215 1057395243 /nfs/dbraw/zinc/39/52/43/1057395243.db2.gz RHRWGWQKHWFABG-IACUCBDGSA-N 2 2 382.504 3.951 20 0 GHADLP CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001545880436 1062060025 /nfs/dbraw/zinc/06/00/25/1062060025.db2.gz ZXXSIKBOPHURSZ-UNMCSNQZSA-N 2 2 398.551 3.689 20 0 GHADLP CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001545880436 1062060048 /nfs/dbraw/zinc/06/00/48/1062060048.db2.gz ZXXSIKBOPHURSZ-UNMCSNQZSA-N 2 2 398.551 3.689 20 0 GHADLP COc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC(C)C ZINC001459854299 1064243568 /nfs/dbraw/zinc/24/35/68/1064243568.db2.gz SFRXNBAYZSCORT-YADARESESA-N 2 2 398.547 3.770 20 0 GHADLP COc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC(C)C ZINC001459854299 1064243572 /nfs/dbraw/zinc/24/35/72/1064243572.db2.gz SFRXNBAYZSCORT-YADARESESA-N 2 2 398.547 3.770 20 0 GHADLP CC(C)n1cc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)cn1 ZINC001459904228 1064265453 /nfs/dbraw/zinc/26/54/53/1064265453.db2.gz USKAPRFASDVHHH-SFHVURJKSA-N 2 2 389.975 3.980 20 0 GHADLP CC[N@H+](CC(=O)NCCCC[NH+]1CCCC[C@H]1C)Cc1ccccc1Cl ZINC001464224126 1064915573 /nfs/dbraw/zinc/91/55/73/1064915573.db2.gz FUWHOVZRILBWCZ-GOSISDBHSA-N 2 2 379.976 3.933 20 0 GHADLP CC[N@@H+](CC(=O)NCCCC[NH+]1CCCC[C@H]1C)Cc1ccccc1Cl ZINC001464224126 1064915574 /nfs/dbraw/zinc/91/55/74/1064915574.db2.gz FUWHOVZRILBWCZ-GOSISDBHSA-N 2 2 379.976 3.933 20 0 GHADLP CC[NH+](CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)Cc1ccccc1Cl ZINC001464224126 1064915575 /nfs/dbraw/zinc/91/55/75/1064915575.db2.gz FUWHOVZRILBWCZ-GOSISDBHSA-N 2 2 379.976 3.933 20 0 GHADLP CC[NH+](CC(=O)NCCCC[N@H+]1CCCC[C@H]1C)Cc1ccccc1Cl ZINC001464224126 1064915579 /nfs/dbraw/zinc/91/55/79/1064915579.db2.gz FUWHOVZRILBWCZ-GOSISDBHSA-N 2 2 379.976 3.933 20 0 GHADLP Oc1ccc(Br)c(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC001200095713 1065203468 /nfs/dbraw/zinc/20/34/68/1065203468.db2.gz MILCWRNYEXXGJP-QGZVFWFLSA-N 2 2 389.337 3.809 20 0 GHADLP Oc1ccc(Br)c(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC001200095713 1065203473 /nfs/dbraw/zinc/20/34/73/1065203473.db2.gz MILCWRNYEXXGJP-QGZVFWFLSA-N 2 2 389.337 3.809 20 0 GHADLP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001465536486 1065698833 /nfs/dbraw/zinc/69/88/33/1065698833.db2.gz WKXVWSROZDAKET-FCHUYYIVSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001465536486 1065698843 /nfs/dbraw/zinc/69/88/43/1065698843.db2.gz WKXVWSROZDAKET-FCHUYYIVSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001465536486 1065698861 /nfs/dbraw/zinc/69/88/61/1065698861.db2.gz WKXVWSROZDAKET-FCHUYYIVSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001465536486 1065698880 /nfs/dbraw/zinc/69/88/80/1065698880.db2.gz WKXVWSROZDAKET-FCHUYYIVSA-N 2 2 387.543 3.561 20 0 GHADLP CC(C)Cc1ccc([C@@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)[NH+](C)C)cc1 ZINC001467069803 1067047107 /nfs/dbraw/zinc/04/71/07/1067047107.db2.gz YDDXADVVMRDZTH-HXUWFJFHSA-N 2 2 379.508 3.957 20 0 GHADLP O=C(Nc1c[nH+]ccc1Nc1ccccc1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001469690521 1068313285 /nfs/dbraw/zinc/31/32/85/1068313285.db2.gz JEKMPCJBGZKUAS-UHFFFAOYSA-N 2 2 398.470 3.808 20 0 GHADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)[NH+](C)C ZINC001470094870 1068569839 /nfs/dbraw/zinc/56/98/39/1068569839.db2.gz OPRUMSIHRXRGIQ-XMSQKQJNSA-N 2 2 395.551 3.667 20 0 GHADLP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001470294002 1068669507 /nfs/dbraw/zinc/66/95/07/1068669507.db2.gz QWMUMDDHUUDKDQ-JOCHJYFZSA-N 2 2 395.547 3.858 20 0 GHADLP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001470294002 1068669510 /nfs/dbraw/zinc/66/95/10/1068669510.db2.gz QWMUMDDHUUDKDQ-JOCHJYFZSA-N 2 2 395.547 3.858 20 0 GHADLP O[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC001460694701 1069092148 /nfs/dbraw/zinc/09/21/48/1069092148.db2.gz PIFYEJQEAHKPHO-RBUKOAKNSA-N 2 2 375.394 3.966 20 0 GHADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC001460705506 1069104473 /nfs/dbraw/zinc/10/44/73/1069104473.db2.gz MEQWTNHQIUQABX-UHFFFAOYSA-N 2 2 396.000 3.628 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)c1cc2ccccc2o1 ZINC001460706748 1069106417 /nfs/dbraw/zinc/10/64/17/1069106417.db2.gz IOZCGXLBIFVBBU-SQNIBIBYSA-N 2 2 392.503 3.604 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)c1cc2ccccc2o1 ZINC001460706748 1069106424 /nfs/dbraw/zinc/10/64/24/1069106424.db2.gz IOZCGXLBIFVBBU-SQNIBIBYSA-N 2 2 392.503 3.604 20 0 GHADLP C[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001472533272 1073535972 /nfs/dbraw/zinc/53/59/72/1073535972.db2.gz XRIBKUKCMBMODA-KRWDZBQOSA-N 2 2 383.455 3.924 20 0 GHADLP CC(C)N(C)c1ccc(NC(=O)CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1F ZINC001473205217 1073857894 /nfs/dbraw/zinc/85/78/94/1073857894.db2.gz DWAUCCAUWHMWEI-UHFFFAOYSA-N 2 2 387.503 3.602 20 0 GHADLP COc1cccc(C2([NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)CCC2)c1 ZINC001473665620 1074073935 /nfs/dbraw/zinc/07/39/35/1074073935.db2.gz FIUWCKLWKNLNAC-UHFFFAOYSA-N 2 2 379.548 3.876 20 0 GHADLP CCOC(=O)c1c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)occ1C(F)(F)F ZINC001473703850 1074096781 /nfs/dbraw/zinc/09/67/81/1074096781.db2.gz AWTXOBCZKHDBGP-UHFFFAOYSA-N 2 2 388.430 3.783 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)[C@]12C[C@H]1CCCC2 ZINC001473711199 1074102005 /nfs/dbraw/zinc/10/20/05/1074102005.db2.gz KWQCTYHTLKHUGE-LZJOCLMNSA-N 2 2 390.597 3.872 20 0 GHADLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001473716366 1074104328 /nfs/dbraw/zinc/10/43/28/1074104328.db2.gz FYCBIHKAUKFIKT-DEOSSOPVSA-N 3 2 385.596 3.605 20 0 GHADLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001473716366 1074104332 /nfs/dbraw/zinc/10/43/32/1074104332.db2.gz FYCBIHKAUKFIKT-DEOSSOPVSA-N 3 2 385.596 3.605 20 0 GHADLP COc1cc2ccccc2cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001474020109 1074238418 /nfs/dbraw/zinc/23/84/18/1074238418.db2.gz JUOLYBLNVGDPFY-BJKOFHAPSA-N 2 2 390.527 3.821 20 0 GHADLP COc1cc2ccccc2cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001474020109 1074238421 /nfs/dbraw/zinc/23/84/21/1074238421.db2.gz JUOLYBLNVGDPFY-BJKOFHAPSA-N 2 2 390.527 3.821 20 0 GHADLP CCS[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001474037917 1074244279 /nfs/dbraw/zinc/24/42/79/1074244279.db2.gz ISAOVKUQRFHQPY-CTNGQTDRSA-N 2 2 378.582 3.552 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC001474199727 1074291051 /nfs/dbraw/zinc/29/10/51/1074291051.db2.gz LRYSLAHNJMQADW-RTBURBONSA-N 2 2 382.508 3.798 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001474301313 1074331057 /nfs/dbraw/zinc/33/10/57/1074331057.db2.gz JKJTZAMYHWDIJL-MORSLUCNSA-N 2 2 379.335 3.917 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001474301313 1074331066 /nfs/dbraw/zinc/33/10/66/1074331066.db2.gz JKJTZAMYHWDIJL-MORSLUCNSA-N 2 2 379.335 3.917 20 0 GHADLP CCc1cccc(F)c1C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001474333709 1074347780 /nfs/dbraw/zinc/34/77/80/1074347780.db2.gz RGUFDEBRXKPXIT-HXUWFJFHSA-N 2 2 396.554 3.817 20 0 GHADLP CCc1cccc(F)c1C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001474333709 1074347786 /nfs/dbraw/zinc/34/77/86/1074347786.db2.gz RGUFDEBRXKPXIT-HXUWFJFHSA-N 2 2 396.554 3.817 20 0 GHADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cccc(-c3ccc(Cl)cc3)c2)CC1 ZINC001474372227 1074368565 /nfs/dbraw/zinc/36/85/65/1074368565.db2.gz YHVLQNMORXINTO-UHFFFAOYSA-N 2 2 399.966 3.993 20 0 GHADLP C[C@H]([NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000824547714 608497125 /nfs/dbraw/zinc/49/71/25/608497125.db2.gz SFJMRSSDRLKUKP-BTYIYWSLSA-N 2 2 385.475 3.781 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164812913 720202839 /nfs/dbraw/zinc/20/28/39/720202839.db2.gz NCLHQDKWQBFLBA-WIYYLYMNSA-N 2 2 377.960 3.650 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164812913 720202849 /nfs/dbraw/zinc/20/28/49/720202849.db2.gz NCLHQDKWQBFLBA-WIYYLYMNSA-N 2 2 377.960 3.650 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164812913 720202861 /nfs/dbraw/zinc/20/28/61/720202861.db2.gz NCLHQDKWQBFLBA-WIYYLYMNSA-N 2 2 377.960 3.650 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164812913 720202873 /nfs/dbraw/zinc/20/28/73/720202873.db2.gz NCLHQDKWQBFLBA-WIYYLYMNSA-N 2 2 377.960 3.650 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]ccc4ccccc43)CC[C@@H]21 ZINC001164833684 720514952 /nfs/dbraw/zinc/51/49/52/720514952.db2.gz DMHNOKHIMJCWDL-ONTIZHBOSA-N 2 2 375.520 3.809 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]ccc4ccccc43)CC[C@@H]21 ZINC001164833684 720514953 /nfs/dbraw/zinc/51/49/53/720514953.db2.gz DMHNOKHIMJCWDL-ONTIZHBOSA-N 2 2 375.520 3.809 20 0 GHADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(C3CC3)[nH+]1)CC2 ZINC001164788818 721471484 /nfs/dbraw/zinc/47/14/84/721471484.db2.gz LJRSFZJGLQWUOD-NRFANRHFSA-N 2 2 399.579 3.693 20 0 GHADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(C3CC3)[nH+]1)CC2 ZINC001164788818 721471488 /nfs/dbraw/zinc/47/14/88/721471488.db2.gz LJRSFZJGLQWUOD-NRFANRHFSA-N 2 2 399.579 3.693 20 0 GHADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1NC(C)C ZINC001165028138 721797846 /nfs/dbraw/zinc/79/78/46/721797846.db2.gz YPXICUYVPDNBDP-SESVDKBCSA-N 2 2 394.567 3.737 20 0 GHADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1NC(C)C ZINC001165028138 721797847 /nfs/dbraw/zinc/79/78/47/721797847.db2.gz YPXICUYVPDNBDP-SESVDKBCSA-N 2 2 394.567 3.737 20 0 GHADLP Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]c2ccccc12 ZINC001164983770 722114940 /nfs/dbraw/zinc/11/49/40/722114940.db2.gz ZZODZYJQPVZLLT-REWPJTCUSA-N 2 2 388.515 3.666 20 0 GHADLP Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]c2ccccc12 ZINC001164983770 722114944 /nfs/dbraw/zinc/11/49/44/722114944.db2.gz ZZODZYJQPVZLLT-REWPJTCUSA-N 2 2 388.515 3.666 20 0 GHADLP C[C@H](C(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000511463748 837481660 /nfs/dbraw/zinc/48/16/60/837481660.db2.gz RGJJQIAZAWOEAV-FGTMMUONSA-N 2 2 377.960 3.636 20 0 GHADLP C[C@H](C(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000511463748 837481663 /nfs/dbraw/zinc/48/16/63/837481663.db2.gz RGJJQIAZAWOEAV-FGTMMUONSA-N 2 2 377.960 3.636 20 0 GHADLP C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000511463748 837481667 /nfs/dbraw/zinc/48/16/67/837481667.db2.gz RGJJQIAZAWOEAV-FGTMMUONSA-N 2 2 377.960 3.636 20 0 GHADLP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000511463748 837481670 /nfs/dbraw/zinc/48/16/70/837481670.db2.gz RGJJQIAZAWOEAV-FGTMMUONSA-N 2 2 377.960 3.636 20 0 GHADLP COc1cccc(Oc2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cn2)c1 ZINC000655695117 837685387 /nfs/dbraw/zinc/68/53/87/837685387.db2.gz RDOASGZSZGNGCI-QFIPXVFZSA-N 2 2 397.519 3.616 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(OCc2ccccn2)c1 ZINC000655696110 837686799 /nfs/dbraw/zinc/68/67/99/837686799.db2.gz AODQLIXETZFUOJ-AVRDEDQJSA-N 2 2 381.520 3.565 20 0 GHADLP CCOc1ccc(Oc2cc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)ccn2)cc1 ZINC000655697219 837686866 /nfs/dbraw/zinc/68/68/66/837686866.db2.gz OQCAOPOIACJFHA-HXUWFJFHSA-N 2 2 397.519 3.616 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1)C1CCCC1 ZINC000655697447 837687131 /nfs/dbraw/zinc/68/71/31/837687131.db2.gz QZWPFPIBUGAYQA-JOCHJYFZSA-N 2 2 385.552 3.548 20 0 GHADLP Cc1cc(C)c(CNC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c[nH+]1 ZINC000458587761 834636467 /nfs/dbraw/zinc/63/64/67/834636467.db2.gz VOUILUUDJJPWGA-ROUUACIJSA-N 2 2 380.536 3.654 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092071789 834665881 /nfs/dbraw/zinc/66/58/81/834665881.db2.gz YWCZOZFEUBUDER-KRWDZBQOSA-N 2 2 378.476 3.772 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092071789 834665882 /nfs/dbraw/zinc/66/58/82/834665882.db2.gz YWCZOZFEUBUDER-KRWDZBQOSA-N 2 2 378.476 3.772 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000655743380 837795491 /nfs/dbraw/zinc/79/54/91/837795491.db2.gz HJJZJMQAKYOHRY-CJNGLKHVSA-N 2 2 377.330 3.516 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000655743380 837795496 /nfs/dbraw/zinc/79/54/96/837795496.db2.gz HJJZJMQAKYOHRY-CJNGLKHVSA-N 2 2 377.330 3.516 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000536082042 834712145 /nfs/dbraw/zinc/71/21/45/834712145.db2.gz HYUPZCAXSMEJRO-QGZVFWFLSA-N 2 2 379.508 3.598 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000536082042 834712154 /nfs/dbraw/zinc/71/21/54/834712154.db2.gz HYUPZCAXSMEJRO-QGZVFWFLSA-N 2 2 379.508 3.598 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773942 834746737 /nfs/dbraw/zinc/74/67/37/834746737.db2.gz WMEBAKROHPWPGD-SFHVURJKSA-N 2 2 392.469 3.837 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773942 834746740 /nfs/dbraw/zinc/74/67/40/834746740.db2.gz WMEBAKROHPWPGD-SFHVURJKSA-N 2 2 392.469 3.837 20 0 GHADLP Fc1cc(Br)cc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)c1 ZINC000655755708 837828758 /nfs/dbraw/zinc/82/87/58/837828758.db2.gz ITSRRWIHWRKNCF-OALUTQOASA-N 2 2 397.332 3.882 20 0 GHADLP Fc1ccc(/C=C\C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000685441966 835010830 /nfs/dbraw/zinc/01/08/30/835010830.db2.gz OLCWNCDAQYRSAA-MKRXODRLSA-N 2 2 379.523 3.731 20 0 GHADLP Fc1ccc(/C=C\C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000685441966 835010844 /nfs/dbraw/zinc/01/08/44/835010844.db2.gz OLCWNCDAQYRSAA-MKRXODRLSA-N 2 2 379.523 3.731 20 0 GHADLP CC(C)(C)CCOc1cnccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655767714 837833763 /nfs/dbraw/zinc/83/37/63/837833763.db2.gz IQXAFGMTUDKVFQ-FQEVSTJZSA-N 2 2 375.557 3.630 20 0 GHADLP COc1cc(-c2ccccc2)ccc1CN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457289 835022953 /nfs/dbraw/zinc/02/29/53/835022953.db2.gz UIJBMXVADUDJFG-XMMPIXPASA-N 2 2 393.575 3.963 20 0 GHADLP COc1cc(-c2ccccc2)ccc1CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457289 835022964 /nfs/dbraw/zinc/02/29/64/835022964.db2.gz UIJBMXVADUDJFG-XMMPIXPASA-N 2 2 393.575 3.963 20 0 GHADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583822016 835094961 /nfs/dbraw/zinc/09/49/61/835094961.db2.gz YYMZIHXXNCAYKW-SFHVURJKSA-N 2 2 394.906 3.664 20 0 GHADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583822016 835094972 /nfs/dbraw/zinc/09/49/72/835094972.db2.gz YYMZIHXXNCAYKW-SFHVURJKSA-N 2 2 394.906 3.664 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000685579658 835189906 /nfs/dbraw/zinc/18/99/06/835189906.db2.gz CUBMKWPSPCYOMU-ROUUACIJSA-N 2 2 379.504 3.600 20 0 GHADLP CC[C@]1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)OCCc2ccccc21 ZINC000685657122 835271130 /nfs/dbraw/zinc/27/11/30/835271130.db2.gz DLRVFLDNKJLSKU-WUMKDDEVSA-N 2 2 379.548 3.760 20 0 GHADLP CC[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)OCCc2ccccc21 ZINC000685657122 835271133 /nfs/dbraw/zinc/27/11/33/835271133.db2.gz DLRVFLDNKJLSKU-WUMKDDEVSA-N 2 2 379.548 3.760 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn2cc(Br)ccc2n1 ZINC000683224309 835279280 /nfs/dbraw/zinc/27/92/80/835279280.db2.gz HGKSKWJGENTMNR-UHFFFAOYSA-N 2 2 390.329 3.768 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn2cc(Br)ccc2n1 ZINC000683224309 835279290 /nfs/dbraw/zinc/27/92/90/835279290.db2.gz HGKSKWJGENTMNR-UHFFFAOYSA-N 2 2 390.329 3.768 20 0 GHADLP CCC[NH+]1CCC(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000151392407 835414861 /nfs/dbraw/zinc/41/48/61/835414861.db2.gz IPCMWMHNDDTAKR-YADHBBJMSA-N 2 2 395.551 3.533 20 0 GHADLP CC(C)C1CCC(N(C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000433400428 844103910 /nfs/dbraw/zinc/10/39/10/844103910.db2.gz NOMADDAQUMCYDW-UHFFFAOYSA-N 2 2 392.632 3.793 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC[C@@H]21 ZINC000584377992 835944555 /nfs/dbraw/zinc/94/45/55/835944555.db2.gz OXPZRUAUDMOGNF-LPHOPBHVSA-N 2 2 378.442 3.807 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC[C@@H]21 ZINC000584377992 835944562 /nfs/dbraw/zinc/94/45/62/835944562.db2.gz OXPZRUAUDMOGNF-LPHOPBHVSA-N 2 2 378.442 3.807 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC[C@@H]21 ZINC000584377992 835944569 /nfs/dbraw/zinc/94/45/69/835944569.db2.gz OXPZRUAUDMOGNF-LPHOPBHVSA-N 2 2 378.442 3.807 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC[C@@H]21 ZINC000584377992 835944573 /nfs/dbraw/zinc/94/45/73/835944573.db2.gz OXPZRUAUDMOGNF-LPHOPBHVSA-N 2 2 378.442 3.807 20 0 GHADLP CCCN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000547758072 836098227 /nfs/dbraw/zinc/09/82/27/836098227.db2.gz CGEPOPFDPRISLV-VQTJNVASSA-N 2 2 380.536 3.733 20 0 GHADLP CCCN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000547758072 836098237 /nfs/dbraw/zinc/09/82/37/836098237.db2.gz CGEPOPFDPRISLV-VQTJNVASSA-N 2 2 380.536 3.733 20 0 GHADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000180496229 836181442 /nfs/dbraw/zinc/18/14/42/836181442.db2.gz XAOJNCCMCMWNBB-IERDGZPVSA-N 2 2 375.919 3.794 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCC1=CCCCC1 ZINC000548932924 836275296 /nfs/dbraw/zinc/27/52/96/836275296.db2.gz JAQGFPQLXUYTOL-QFIPXVFZSA-N 2 2 383.580 3.883 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCC1=CCCCC1 ZINC000548932924 836275307 /nfs/dbraw/zinc/27/53/07/836275307.db2.gz JAQGFPQLXUYTOL-QFIPXVFZSA-N 2 2 383.580 3.883 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1nnnn1-c1ccccc1 ZINC000174087200 836378246 /nfs/dbraw/zinc/37/82/46/836378246.db2.gz FDLKQLNLQSZIME-IBGZPJMESA-N 2 2 390.535 3.889 20 0 GHADLP C[C@@H](c1cccs1)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000109694291 836475912 /nfs/dbraw/zinc/47/59/12/836475912.db2.gz ATNLHLCWMNHEFK-INIZCTEOSA-N 2 2 389.590 3.928 20 0 GHADLP C[C@@H](c1cccs1)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000109694291 836475917 /nfs/dbraw/zinc/47/59/17/836475917.db2.gz ATNLHLCWMNHEFK-INIZCTEOSA-N 2 2 389.590 3.928 20 0 GHADLP CC(C)[NH+](CCCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000511365229 836629275 /nfs/dbraw/zinc/62/92/75/836629275.db2.gz FKSIXXZTUCPBPI-LEWJYISDSA-N 2 2 381.992 3.810 20 0 GHADLP CC(C)[NH+](CCCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000511365229 836629280 /nfs/dbraw/zinc/62/92/80/836629280.db2.gz FKSIXXZTUCPBPI-LEWJYISDSA-N 2 2 381.992 3.810 20 0 GHADLP CCN(CCC[NH+](C)C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000468458426 836830494 /nfs/dbraw/zinc/83/04/94/836830494.db2.gz LXOMZFYNWKAFJM-SFHVURJKSA-N 2 2 398.954 3.599 20 0 GHADLP C[C@@H]1C[C@H](C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCO1 ZINC000510933526 844213447 /nfs/dbraw/zinc/21/34/47/844213447.db2.gz DMRKWOISRYDHHG-HUUCEWRRSA-N 2 2 382.302 3.556 20 0 GHADLP C[C@@H]1C[C@H](C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCO1 ZINC000510933526 844213458 /nfs/dbraw/zinc/21/34/58/844213458.db2.gz DMRKWOISRYDHHG-HUUCEWRRSA-N 2 2 382.302 3.556 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000376120001 836939079 /nfs/dbraw/zinc/93/90/79/836939079.db2.gz XQRFPZRIQMKYFJ-KYNGSXCRSA-N 2 2 379.464 3.704 20 0 GHADLP CN(CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1)C(=O)OC(C)(C)C ZINC000728931938 844220158 /nfs/dbraw/zinc/22/01/58/844220158.db2.gz NJLBXYHKVXIFMY-UHFFFAOYSA-N 2 2 384.524 3.951 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000175882579 837044304 /nfs/dbraw/zinc/04/43/04/837044304.db2.gz AYPAKNHTOXDOEF-UHFFFAOYSA-N 2 2 386.565 3.905 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000175882579 837044311 /nfs/dbraw/zinc/04/43/11/837044311.db2.gz AYPAKNHTOXDOEF-UHFFFAOYSA-N 2 2 386.565 3.905 20 0 GHADLP COc1cc(Br)c(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000472596818 837368754 /nfs/dbraw/zinc/36/87/54/837368754.db2.gz AWXNGCSPWFGMFK-UHFFFAOYSA-N 2 2 383.330 3.527 20 0 GHADLP COc1cc(Br)c(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000472596818 837368762 /nfs/dbraw/zinc/36/87/62/837368762.db2.gz AWXNGCSPWFGMFK-UHFFFAOYSA-N 2 2 383.330 3.527 20 0 GHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000893049284 837847528 /nfs/dbraw/zinc/84/75/28/837847528.db2.gz ZJZIWXJWRBIULJ-XLIONFOSSA-N 2 2 378.438 3.736 20 0 GHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000893049284 837847534 /nfs/dbraw/zinc/84/75/34/837847534.db2.gz ZJZIWXJWRBIULJ-XLIONFOSSA-N 2 2 378.438 3.736 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849353 838054950 /nfs/dbraw/zinc/05/49/50/838054950.db2.gz OALGZMIHZJYHNK-UXPWSPDFSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849353 838054966 /nfs/dbraw/zinc/05/49/66/838054966.db2.gz OALGZMIHZJYHNK-UXPWSPDFSA-N 2 2 377.960 3.684 20 0 GHADLP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000415923729 838275486 /nfs/dbraw/zinc/27/54/86/838275486.db2.gz QFRWVMMGUNOMBB-MOPGFXCFSA-N 2 2 390.890 3.765 20 0 GHADLP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000415923729 838275495 /nfs/dbraw/zinc/27/54/95/838275495.db2.gz QFRWVMMGUNOMBB-MOPGFXCFSA-N 2 2 390.890 3.765 20 0 GHADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000659912904 838655249 /nfs/dbraw/zinc/65/52/49/838655249.db2.gz JKMOFSDPTKKIDS-ZBFHGGJFSA-N 2 2 387.387 3.619 20 0 GHADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000659912904 838655254 /nfs/dbraw/zinc/65/52/54/838655254.db2.gz JKMOFSDPTKKIDS-ZBFHGGJFSA-N 2 2 387.387 3.619 20 0 GHADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000659912904 838655255 /nfs/dbraw/zinc/65/52/55/838655255.db2.gz JKMOFSDPTKKIDS-ZBFHGGJFSA-N 2 2 387.387 3.619 20 0 GHADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000659912904 838655259 /nfs/dbraw/zinc/65/52/59/838655259.db2.gz JKMOFSDPTKKIDS-ZBFHGGJFSA-N 2 2 387.387 3.619 20 0 GHADLP Cc1nn2c(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)c(C)nc2s1 ZINC000549821970 844368356 /nfs/dbraw/zinc/36/83/56/844368356.db2.gz KXYXERDTHPRWJF-IBGZPJMESA-N 2 2 383.565 3.798 20 0 GHADLP Cc1nn2c(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)c(C)nc2s1 ZINC000549821970 844368374 /nfs/dbraw/zinc/36/83/74/844368374.db2.gz KXYXERDTHPRWJF-IBGZPJMESA-N 2 2 383.565 3.798 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000376891260 838818196 /nfs/dbraw/zinc/81/81/96/838818196.db2.gz AEOQKIKLKYFGLO-ZZNFJVAJSA-N 2 2 383.511 3.941 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000376891260 838818211 /nfs/dbraw/zinc/81/82/11/838818211.db2.gz AEOQKIKLKYFGLO-ZZNFJVAJSA-N 2 2 383.511 3.941 20 0 GHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000415044242 839110474 /nfs/dbraw/zinc/11/04/74/839110474.db2.gz BOBMNNWMDRSGIE-KSSFIOAISA-N 2 2 389.927 3.918 20 0 GHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000415065602 839152594 /nfs/dbraw/zinc/15/25/94/839152594.db2.gz NDQYOOSAHWEGKA-OAQYLSRUSA-N 2 2 385.939 3.797 20 0 GHADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(OC)c(OC)c1 ZINC000163712257 839231254 /nfs/dbraw/zinc/23/12/54/839231254.db2.gz BAHCJKLJSXTBFR-NRFANRHFSA-N 2 2 384.520 3.777 20 0 GHADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(N)CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC000415125364 839246969 /nfs/dbraw/zinc/24/69/69/839246969.db2.gz DOZFQZPHIZDJEX-XUZZJYLKSA-N 3 2 398.639 3.613 20 0 GHADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000783030026 839672250 /nfs/dbraw/zinc/67/22/50/839672250.db2.gz FSUMPFOVEHFCRP-UHFFFAOYSA-N 2 2 395.551 3.614 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000656262007 839909232 /nfs/dbraw/zinc/90/92/32/839909232.db2.gz OXOZTDJMLFVYNI-LIRRHRJNSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000656262007 839909239 /nfs/dbraw/zinc/90/92/39/839909239.db2.gz OXOZTDJMLFVYNI-LIRRHRJNSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000656262007 839909244 /nfs/dbraw/zinc/90/92/44/839909244.db2.gz OXOZTDJMLFVYNI-LIRRHRJNSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000656262007 839909251 /nfs/dbraw/zinc/90/92/51/839909251.db2.gz OXOZTDJMLFVYNI-LIRRHRJNSA-N 2 2 391.357 3.715 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000429800714 840175769 /nfs/dbraw/zinc/17/57/69/840175769.db2.gz JQYRIRUSTWQBME-RDTXWAMCSA-N 2 2 386.367 3.614 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000429800714 840175776 /nfs/dbraw/zinc/17/57/76/840175776.db2.gz JQYRIRUSTWQBME-RDTXWAMCSA-N 2 2 386.367 3.614 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000429800714 840175784 /nfs/dbraw/zinc/17/57/84/840175784.db2.gz JQYRIRUSTWQBME-RDTXWAMCSA-N 2 2 386.367 3.614 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000429800714 840175792 /nfs/dbraw/zinc/17/57/92/840175792.db2.gz JQYRIRUSTWQBME-RDTXWAMCSA-N 2 2 386.367 3.614 20 0 GHADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000416938631 840294029 /nfs/dbraw/zinc/29/40/29/840294029.db2.gz LIBQIQNQEMBJOB-OAQYLSRUSA-N 2 2 395.551 3.695 20 0 GHADLP CCN(CC)c1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000126827873 840298696 /nfs/dbraw/zinc/29/86/96/840298696.db2.gz AAHDVRSGRLWAFJ-UHFFFAOYSA-N 2 2 384.543 3.864 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)c1C ZINC000418500065 840336152 /nfs/dbraw/zinc/33/61/52/840336152.db2.gz NGMDVFKIJQWRGB-FQEVSTJZSA-N 2 2 392.503 3.702 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000332763306 844534454 /nfs/dbraw/zinc/53/44/54/844534454.db2.gz YIUPDMKAFUFLAC-RXVVDRJESA-N 2 2 395.551 3.731 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000332763306 844534464 /nfs/dbraw/zinc/53/44/64/844534464.db2.gz YIUPDMKAFUFLAC-RXVVDRJESA-N 2 2 395.551 3.731 20 0 GHADLP Cc1sc2nc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)nc(N)c2c1C ZINC000580913727 840422191 /nfs/dbraw/zinc/42/21/91/840422191.db2.gz TVDCKLNFOBYSSB-UHFFFAOYSA-N 2 2 384.553 3.779 20 0 GHADLP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000417270630 840657802 /nfs/dbraw/zinc/65/78/02/840657802.db2.gz OMYXOFOYGDCGJE-FQEVSTJZSA-N 2 2 395.482 3.634 20 0 GHADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162396840 840787711 /nfs/dbraw/zinc/78/77/11/840787711.db2.gz AWWRQYZMDSDKMD-FQEVSTJZSA-N 2 2 395.551 3.832 20 0 GHADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162396840 840787715 /nfs/dbraw/zinc/78/77/15/840787715.db2.gz AWWRQYZMDSDKMD-FQEVSTJZSA-N 2 2 395.551 3.832 20 0 GHADLP OCC1([NH2+]CC2CC2)CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000584784461 840856335 /nfs/dbraw/zinc/85/63/35/840856335.db2.gz PLKLWGORWGGSQT-UHFFFAOYSA-N 2 2 398.522 3.731 20 0 GHADLP C[C@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)Cn1cc[nH+]c1 ZINC000067500603 841012009 /nfs/dbraw/zinc/01/20/09/841012009.db2.gz LFQZYJPQOHGCKH-LJQANCHMSA-N 2 2 386.503 3.616 20 0 GHADLP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)c2)cc1 ZINC000067500649 841012435 /nfs/dbraw/zinc/01/24/35/841012435.db2.gz KRTFQDWBBFDYAV-QGZVFWFLSA-N 2 2 378.476 3.570 20 0 GHADLP O[C@H](COc1cccc2ccccc21)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660673767 841087292 /nfs/dbraw/zinc/08/72/92/841087292.db2.gz FHWSKGPGOUNRGO-QHCPKHFHSA-N 2 2 390.527 3.834 20 0 GHADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000430559506 841091969 /nfs/dbraw/zinc/09/19/69/841091969.db2.gz CXLMKLYPAUPGNM-SMDDNHRTSA-N 2 2 379.854 3.991 20 0 GHADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000430559506 841091977 /nfs/dbraw/zinc/09/19/77/841091977.db2.gz CXLMKLYPAUPGNM-SMDDNHRTSA-N 2 2 379.854 3.991 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000548159927 841092435 /nfs/dbraw/zinc/09/24/35/841092435.db2.gz PXRYTGXHJRJGAA-VOQZNFBZSA-N 2 2 397.950 3.946 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000548159927 841092447 /nfs/dbraw/zinc/09/24/47/841092447.db2.gz PXRYTGXHJRJGAA-VOQZNFBZSA-N 2 2 397.950 3.946 20 0 GHADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000430579720 841230055 /nfs/dbraw/zinc/23/00/55/841230055.db2.gz CSLQEACBGSZQDI-CQSZACIVSA-N 2 2 385.352 3.626 20 0 GHADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000417910166 841260037 /nfs/dbraw/zinc/26/00/37/841260037.db2.gz JIEZIKFHBJFIKO-CYBMUJFWSA-N 2 2 390.284 3.640 20 0 GHADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000417910166 841260045 /nfs/dbraw/zinc/26/00/45/841260045.db2.gz JIEZIKFHBJFIKO-CYBMUJFWSA-N 2 2 390.284 3.640 20 0 GHADLP Cc1cc2c(s1)N(c1ncccc1N1CC[NH2+]CC1)c1ccccc1NC2=[NH2+] ZINC001167460323 841343199 /nfs/dbraw/zinc/34/31/99/841343199.db2.gz KOBNGZMRQUTXKY-UHFFFAOYSA-N 2 2 390.516 3.681 20 0 GHADLP CC1(C)C[C@@H](NC2CC[NH+](Cc3ccccn3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000090169645 841697650 /nfs/dbraw/zinc/69/76/50/841697650.db2.gz LFWSNUZKEYRHTE-HSZRJFAPSA-N 2 2 378.564 3.689 20 0 GHADLP CC1(C)C[C@@H](NC2CC[NH+](Cc3ccccn3)CC2)C[N@H+]1Cc1ccccc1 ZINC000090169645 841697655 /nfs/dbraw/zinc/69/76/55/841697655.db2.gz LFWSNUZKEYRHTE-HSZRJFAPSA-N 2 2 378.564 3.689 20 0 GHADLP CN1CC[C@@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000512006218 842099092 /nfs/dbraw/zinc/09/90/92/842099092.db2.gz GJNGFJFPKLQEMH-LIRRHRJNSA-N 2 2 396.963 3.780 20 0 GHADLP CN1CC[C@@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000512006216 842099195 /nfs/dbraw/zinc/09/91/95/842099195.db2.gz GJNGFJFPKLQEMH-IFXJQAMLSA-N 2 2 396.963 3.780 20 0 GHADLP C[NH+](C)CCOc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000684412432 842135024 /nfs/dbraw/zinc/13/50/24/842135024.db2.gz KVYDXJNSEOXRSL-UHFFFAOYSA-N 3 2 399.501 3.522 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000618174367 842408479 /nfs/dbraw/zinc/40/84/79/842408479.db2.gz YGHXRPCYZZSFMV-KRWDZBQOSA-N 2 2 376.932 3.858 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3ncc(C[NH+](C)C)s3)cc2)C1 ZINC000512116814 842546227 /nfs/dbraw/zinc/54/62/27/842546227.db2.gz PVSUEWOOKIQNSO-HDICACEKSA-N 3 2 386.609 3.972 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3ncc(C[NH+](C)C)s3)cc2)C1 ZINC000512116814 842546239 /nfs/dbraw/zinc/54/62/39/842546239.db2.gz PVSUEWOOKIQNSO-HDICACEKSA-N 3 2 386.609 3.972 20 0 GHADLP CCN1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000511959378 842578486 /nfs/dbraw/zinc/57/84/86/842578486.db2.gz FKYFUFFHNUZHLL-QFBILLFUSA-N 2 2 398.498 3.547 20 0 GHADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000512132210 842596543 /nfs/dbraw/zinc/59/65/43/842596543.db2.gz UHABQKSGTKTJQG-WCQYABFASA-N 2 2 377.838 3.760 20 0 GHADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000512132210 842596548 /nfs/dbraw/zinc/59/65/48/842596548.db2.gz UHABQKSGTKTJQG-WCQYABFASA-N 2 2 377.838 3.760 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246125436 842628388 /nfs/dbraw/zinc/62/83/88/842628388.db2.gz AUOMPVUJZQLXPY-RTWAWAEBSA-N 2 2 391.559 3.698 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246125436 842628396 /nfs/dbraw/zinc/62/83/96/842628396.db2.gz AUOMPVUJZQLXPY-RTWAWAEBSA-N 2 2 391.559 3.698 20 0 GHADLP Cc1nc2sc3c(c2c(NC2CC[NH+](C4CC[NH+](C)CC4)CC2)n1)CCCC3 ZINC000050954540 842859521 /nfs/dbraw/zinc/85/95/21/842859521.db2.gz LQZZRQUSEFGQKR-UHFFFAOYSA-N 2 2 399.608 3.849 20 0 GHADLP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000188298528 842878968 /nfs/dbraw/zinc/87/89/68/842878968.db2.gz XFVWALUYHKGZNJ-UHFFFAOYSA-N 2 2 387.572 3.526 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@H](C)C1 ZINC000178477544 861372801 /nfs/dbraw/zinc/37/28/01/861372801.db2.gz ZEIJHVRMWDXDOL-KNQAVFIVSA-N 2 2 396.579 3.588 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@H](C)C1 ZINC000178477544 861372812 /nfs/dbraw/zinc/37/28/12/861372812.db2.gz ZEIJHVRMWDXDOL-KNQAVFIVSA-N 2 2 396.579 3.588 20 0 GHADLP [NH3+]CCCn1ccc2cc(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)ccc21 ZINC000430838100 843061786 /nfs/dbraw/zinc/06/17/86/843061786.db2.gz MAKURUQAUVVIFD-UHFFFAOYSA-N 2 2 397.548 3.685 20 0 GHADLP c1cn(-c2csc(C[N@@H+](CCc3ccccn3)Cc3cccnc3)c2)c[nH+]1 ZINC000430867099 843108029 /nfs/dbraw/zinc/10/80/29/843108029.db2.gz JDYFSUYVJBUCRX-UHFFFAOYSA-N 2 2 375.501 3.969 20 0 GHADLP c1cn(-c2csc(C[N@H+](CCc3ccccn3)Cc3cccnc3)c2)c[nH+]1 ZINC000430867099 843108035 /nfs/dbraw/zinc/10/80/35/843108035.db2.gz JDYFSUYVJBUCRX-UHFFFAOYSA-N 2 2 375.501 3.969 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662512674 843377662 /nfs/dbraw/zinc/37/76/62/843377662.db2.gz RKDSNICYGNTVPH-UXHICEINSA-N 2 2 387.886 3.648 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662512674 843377670 /nfs/dbraw/zinc/37/76/70/843377670.db2.gz RKDSNICYGNTVPH-UXHICEINSA-N 2 2 387.886 3.648 20 0 GHADLP [NH3+][C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc(F)cc1F ZINC000662678068 843512515 /nfs/dbraw/zinc/51/25/15/843512515.db2.gz AZXQDLJOZDRBTK-RTBURBONSA-N 2 2 393.865 3.571 20 0 GHADLP C[N@H+](Cc1ccc(F)c2cccnc12)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512359078 843548402 /nfs/dbraw/zinc/54/84/02/843548402.db2.gz AMVSXELIIGECFE-UHFFFAOYSA-N 2 2 378.495 3.908 20 0 GHADLP C[N@@H+](Cc1ccc(F)c2cccnc12)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512359078 843548410 /nfs/dbraw/zinc/54/84/10/843548410.db2.gz AMVSXELIIGECFE-UHFFFAOYSA-N 2 2 378.495 3.908 20 0 GHADLP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccc(F)cc1F ZINC000433214057 843864861 /nfs/dbraw/zinc/86/48/61/843864861.db2.gz RAVSUSCSVWTJOP-UHFFFAOYSA-N 2 2 399.485 3.891 20 0 GHADLP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccc(F)cc1F ZINC000433214057 843864869 /nfs/dbraw/zinc/86/48/69/843864869.db2.gz RAVSUSCSVWTJOP-UHFFFAOYSA-N 2 2 399.485 3.891 20 0 GHADLP [NH3+][C@H]1CCC[C@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000237912483 843987041 /nfs/dbraw/zinc/98/70/41/843987041.db2.gz YCNYYJCTBXRTRE-UNMCSNQZSA-N 2 2 388.515 3.732 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](CC3CCC3)c3ccccc3)CC2)CC1 ZINC000180990862 844676532 /nfs/dbraw/zinc/67/65/32/844676532.db2.gz GDACFGRXKVUZOL-HSZRJFAPSA-N 2 2 398.595 3.776 20 0 GHADLP c1oc2ccccc2c1C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512697564 845060229 /nfs/dbraw/zinc/06/02/29/845060229.db2.gz SOFMEHBXJVCWNB-HXUWFJFHSA-N 2 2 390.531 3.862 20 0 GHADLP c1oc2ccccc2c1C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512697564 845060237 /nfs/dbraw/zinc/06/02/37/845060237.db2.gz SOFMEHBXJVCWNB-HXUWFJFHSA-N 2 2 390.531 3.862 20 0 GHADLP Cc1cccn2cc(COc3ccc(C[NH2+][C@H]4CCn5cc[nH+]c5C4)cc3)nc12 ZINC000548622640 845897360 /nfs/dbraw/zinc/89/73/60/845897360.db2.gz MGVIDGXJGUULJT-IBGZPJMESA-N 2 2 387.487 3.523 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657311563 846051599 /nfs/dbraw/zinc/05/15/99/846051599.db2.gz NRHAFIPRVCKJQA-LJQANCHMSA-N 3 2 375.520 3.932 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657311563 846051606 /nfs/dbraw/zinc/05/16/06/846051606.db2.gz NRHAFIPRVCKJQA-LJQANCHMSA-N 3 2 375.520 3.932 20 0 GHADLP CC(C)c1ccc([C@H](C)CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000157742115 846154194 /nfs/dbraw/zinc/15/41/94/846154194.db2.gz CPOJFJNSEVNYNR-LJQANCHMSA-N 2 2 385.596 3.978 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(S(C)(=O)=O)ccc2F)cc1 ZINC000502547586 846187259 /nfs/dbraw/zinc/18/72/59/846187259.db2.gz RBPKUGLVICDQDF-AWEZNQCLSA-N 2 2 387.480 3.574 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc(OC4CC4)c3F)c2)CCO1 ZINC000657328989 846257902 /nfs/dbraw/zinc/25/79/02/846257902.db2.gz GTEXDHMNZYJGOT-QGZVFWFLSA-N 2 2 384.495 3.877 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(OC4CC4)c3F)c2)CCO1 ZINC000657328989 846257910 /nfs/dbraw/zinc/25/79/10/846257910.db2.gz GTEXDHMNZYJGOT-QGZVFWFLSA-N 2 2 384.495 3.877 20 0 GHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc(OC4CC4)c3F)c2)CCO1 ZINC000657328988 846258249 /nfs/dbraw/zinc/25/82/49/846258249.db2.gz GTEXDHMNZYJGOT-KRWDZBQOSA-N 2 2 384.495 3.877 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(OC4CC4)c3F)c2)CCO1 ZINC000657328988 846258257 /nfs/dbraw/zinc/25/82/57/846258257.db2.gz GTEXDHMNZYJGOT-KRWDZBQOSA-N 2 2 384.495 3.877 20 0 GHADLP Cc1cccn2cc(CCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c3ccccc3)[nH+]c12 ZINC000673774885 861668172 /nfs/dbraw/zinc/66/81/72/861668172.db2.gz IPPWRIOGEYXSDZ-SFHVURJKSA-N 2 2 393.535 3.614 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000502839196 846509411 /nfs/dbraw/zinc/50/94/11/846509411.db2.gz DDWMLKVAHVWTPE-XAYKGCCJSA-N 2 2 398.595 3.682 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000502839196 846509419 /nfs/dbraw/zinc/50/94/19/846509419.db2.gz DDWMLKVAHVWTPE-XAYKGCCJSA-N 2 2 398.595 3.682 20 0 GHADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1C ZINC000501104610 846645709 /nfs/dbraw/zinc/64/57/09/846645709.db2.gz ASOXCFRADLVIBI-PMACEKPBSA-N 2 2 385.596 3.805 20 0 GHADLP CC[C@@H](Sc1ccccc1)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422015781 846768894 /nfs/dbraw/zinc/76/88/94/846768894.db2.gz HRVQLSQKAJVXGB-OAQYLSRUSA-N 2 2 389.609 3.576 20 0 GHADLP CC[C@@H](Sc1ccccc1)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422015781 846768904 /nfs/dbraw/zinc/76/89/04/846768904.db2.gz HRVQLSQKAJVXGB-OAQYLSRUSA-N 2 2 389.609 3.576 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3CCC(c4ccccc4)CC3)CC2)CC1 ZINC000422020062 846772722 /nfs/dbraw/zinc/77/27/22/846772722.db2.gz MBLNYDBHMXSVTG-UHFFFAOYSA-N 2 2 397.607 3.979 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3CCC(c4ccccc4)CC3)CC2)CC1 ZINC000422020062 846772730 /nfs/dbraw/zinc/77/27/30/846772730.db2.gz MBLNYDBHMXSVTG-UHFFFAOYSA-N 2 2 397.607 3.979 20 0 GHADLP Cc1cc(F)cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000179702987 861718294 /nfs/dbraw/zinc/71/82/94/861718294.db2.gz MVLZDJYVXNHHJA-LEWJYISDSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cc(F)cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000179702987 861718299 /nfs/dbraw/zinc/71/82/99/861718299.db2.gz MVLZDJYVXNHHJA-LEWJYISDSA-N 2 2 390.547 3.935 20 0 GHADLP C[NH+](C)CC(C)(C)C[NH+]1CCC(C(=O)c2ccc(Br)cc2)CC1 ZINC001207285400 846826352 /nfs/dbraw/zinc/82/63/52/846826352.db2.gz IXRNCSDBOAAJBF-UHFFFAOYSA-N 2 2 381.358 3.932 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1ccsc1 ZINC000501488850 846950763 /nfs/dbraw/zinc/95/07/63/846950763.db2.gz CVGLDGPAVPPNDK-ROUUACIJSA-N 2 2 394.972 3.606 20 0 GHADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000158452862 846967741 /nfs/dbraw/zinc/96/77/41/846967741.db2.gz OVDLMRLXLSLPFF-CYBMUJFWSA-N 2 2 395.370 3.508 20 0 GHADLP Cc1ccccc1NC(=O)C[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272160913 847005359 /nfs/dbraw/zinc/00/53/59/847005359.db2.gz BSQMTQASNNJNMZ-GOSISDBHSA-N 2 2 395.551 3.750 20 0 GHADLP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000158507085 847043845 /nfs/dbraw/zinc/04/38/45/847043845.db2.gz UKQUZUGFXVRPAQ-GOSISDBHSA-N 2 2 390.478 3.676 20 0 GHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCOCCOCc2ccccc2)CC1 ZINC000272478175 847086638 /nfs/dbraw/zinc/08/66/38/847086638.db2.gz APZNAAQPIQJHDW-UHFFFAOYSA-N 2 2 388.474 3.616 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000420355141 847136095 /nfs/dbraw/zinc/13/60/95/847136095.db2.gz BTVGREFTRFVHRC-VXKWHMMOSA-N 2 2 387.568 3.636 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420398335 847160312 /nfs/dbraw/zinc/16/03/12/847160312.db2.gz GYKLEUGKDPKGDM-JLMWRMLUSA-N 2 2 381.520 3.600 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420398335 847160319 /nfs/dbraw/zinc/16/03/19/847160319.db2.gz GYKLEUGKDPKGDM-JLMWRMLUSA-N 2 2 381.520 3.600 20 0 GHADLP C[C@H](Nc1ccc([NH+]2CCC(O)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272857687 847191355 /nfs/dbraw/zinc/19/13/55/847191355.db2.gz UGQVDYIXUCGSJI-FPOVZHCZSA-N 2 2 379.548 3.970 20 0 GHADLP C[C@H](Nc1ccc([NH+]2CCC(O)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272857687 847191362 /nfs/dbraw/zinc/19/13/62/847191362.db2.gz UGQVDYIXUCGSJI-FPOVZHCZSA-N 2 2 379.548 3.970 20 0 GHADLP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000273372709 847320575 /nfs/dbraw/zinc/32/05/75/847320575.db2.gz DCLGHZPFQSYWGR-UHFFFAOYSA-N 2 2 394.968 3.875 20 0 GHADLP Cc1cc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)[nH+]1 ZINC000422199408 847452939 /nfs/dbraw/zinc/45/29/39/847452939.db2.gz DPKANUFAKUIFAA-UGKGYDQZSA-N 2 2 380.536 3.893 20 0 GHADLP Cc1cc(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)[nH+]1 ZINC000422199408 847452948 /nfs/dbraw/zinc/45/29/48/847452948.db2.gz DPKANUFAKUIFAA-UGKGYDQZSA-N 2 2 380.536 3.893 20 0 GHADLP O=C1[C@@H]([N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCN1c1ccc(Cl)cc1 ZINC000503409980 847674610 /nfs/dbraw/zinc/67/46/10/847674610.db2.gz YECXODANSPWLOO-UZLBHIALSA-N 2 2 398.938 3.858 20 0 GHADLP O=C1[C@@H]([N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCN1c1ccc(Cl)cc1 ZINC000503409980 847674616 /nfs/dbraw/zinc/67/46/16/847674616.db2.gz YECXODANSPWLOO-UZLBHIALSA-N 2 2 398.938 3.858 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cs2)cc1OC ZINC000422632962 847741753 /nfs/dbraw/zinc/74/17/53/847741753.db2.gz HMHYQLXDUDBUTD-DZKIICNBSA-N 2 2 375.538 3.633 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cs2)cc1OC ZINC000422632962 847741762 /nfs/dbraw/zinc/74/17/62/847741762.db2.gz HMHYQLXDUDBUTD-DZKIICNBSA-N 2 2 375.538 3.633 20 0 GHADLP COc1ccc(Oc2cc(C[NH2+][C@@H](Cc3ccccc3)[C@H](C)[NH3+])ccn2)cc1 ZINC000422690553 847782517 /nfs/dbraw/zinc/78/25/17/847782517.db2.gz GSOVNFSEDJPVJO-JTSKRJEESA-N 2 2 377.488 3.931 20 0 GHADLP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422768379 847816194 /nfs/dbraw/zinc/81/61/94/847816194.db2.gz NUISKWFRFGHWGN-RVHYNSKXSA-N 2 2 387.549 3.513 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422842374 847862364 /nfs/dbraw/zinc/86/23/64/847862364.db2.gz FQMLMHFVXBRRTN-UKILVPOCSA-N 3 2 391.559 3.539 20 0 GHADLP Cc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1F ZINC000179947179 861864259 /nfs/dbraw/zinc/86/42/59/861864259.db2.gz GUVPDOGRAIDXGF-VQTJNVASSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1F ZINC000179947179 861864280 /nfs/dbraw/zinc/86/42/80/861864280.db2.gz GUVPDOGRAIDXGF-VQTJNVASSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1F ZINC000179947212 861864751 /nfs/dbraw/zinc/86/47/51/861864751.db2.gz GUVPDOGRAIDXGF-WOJBJXKFSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1F ZINC000179947212 861864762 /nfs/dbraw/zinc/86/47/62/861864762.db2.gz GUVPDOGRAIDXGF-WOJBJXKFSA-N 2 2 390.547 3.935 20 0 GHADLP CC(C)[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000604164210 861912335 /nfs/dbraw/zinc/91/23/35/861912335.db2.gz BAOLKPAPHJQDIE-AZUAARDMSA-N 2 2 392.975 3.505 20 0 GHADLP CC(C)[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000604164210 861912350 /nfs/dbraw/zinc/91/23/50/861912350.db2.gz BAOLKPAPHJQDIE-AZUAARDMSA-N 2 2 392.975 3.505 20 0 GHADLP COc1ccc([C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C(C)C)cc1 ZINC000180053643 861925765 /nfs/dbraw/zinc/92/57/65/861925765.db2.gz ATBPDTHTNUDHST-XMMPIXPASA-N 2 2 398.547 3.893 20 0 GHADLP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192358017 861927790 /nfs/dbraw/zinc/92/77/90/861927790.db2.gz DCLGXBUFQNBHMY-QHCPKHFHSA-N 2 2 390.531 3.766 20 0 GHADLP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192358017 861927809 /nfs/dbraw/zinc/92/78/09/861927809.db2.gz DCLGXBUFQNBHMY-QHCPKHFHSA-N 2 2 390.531 3.766 20 0 GHADLP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000153634048 848808593 /nfs/dbraw/zinc/80/85/93/848808593.db2.gz VABQBUDQFJSHIA-CYBMUJFWSA-N 2 2 387.846 3.567 20 0 GHADLP C[C@H](OC[C@H](O)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000583019401 848887953 /nfs/dbraw/zinc/88/79/53/848887953.db2.gz ANPYIPLUIKNJMI-HTAPYJJXSA-N 2 2 399.922 3.813 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000153675680 848898342 /nfs/dbraw/zinc/89/83/42/848898342.db2.gz YNTNCWYVWAPOBE-KRWDZBQOSA-N 2 2 375.944 3.551 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000153675680 848898348 /nfs/dbraw/zinc/89/83/48/848898348.db2.gz YNTNCWYVWAPOBE-KRWDZBQOSA-N 2 2 375.944 3.551 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000583053844 848963151 /nfs/dbraw/zinc/96/31/51/848963151.db2.gz YENVFBFGUQEETF-PMACEKPBSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000583053844 848963158 /nfs/dbraw/zinc/96/31/58/848963158.db2.gz YENVFBFGUQEETF-PMACEKPBSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000583053844 848963165 /nfs/dbraw/zinc/96/31/65/848963165.db2.gz YENVFBFGUQEETF-PMACEKPBSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000583053844 848963172 /nfs/dbraw/zinc/96/31/72/848963172.db2.gz YENVFBFGUQEETF-PMACEKPBSA-N 2 2 382.479 3.566 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)c(OC)c1 ZINC000583087505 849037186 /nfs/dbraw/zinc/03/71/86/849037186.db2.gz XWUWBMLPSZFWAP-KXBFYZLASA-N 2 2 387.549 3.791 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)c(OC)c1 ZINC000583087505 849037193 /nfs/dbraw/zinc/03/71/93/849037193.db2.gz XWUWBMLPSZFWAP-KXBFYZLASA-N 2 2 387.549 3.791 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1cc2ccccc2o1 ZINC000472280472 849045036 /nfs/dbraw/zinc/04/50/36/849045036.db2.gz XSCGGQIJRHUQJF-WIYYLYMNSA-N 2 2 391.515 3.644 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000472280472 849045048 /nfs/dbraw/zinc/04/50/48/849045048.db2.gz XSCGGQIJRHUQJF-WIYYLYMNSA-N 2 2 391.515 3.644 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1cc2ccccc2o1 ZINC000472280472 849045058 /nfs/dbraw/zinc/04/50/58/849045058.db2.gz XSCGGQIJRHUQJF-WIYYLYMNSA-N 2 2 391.515 3.644 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1cc2ccccc2o1 ZINC000472280472 849045063 /nfs/dbraw/zinc/04/50/63/849045063.db2.gz XSCGGQIJRHUQJF-WIYYLYMNSA-N 2 2 391.515 3.644 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)c3cc4ccccc4o3)CC2)CC1 ZINC000583257010 849465040 /nfs/dbraw/zinc/46/50/40/849465040.db2.gz LCSNASOLSBNOQW-SFHVURJKSA-N 2 2 398.551 3.695 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)c3cc4ccccc4o3)CC2)CC1 ZINC000583257010 849465046 /nfs/dbraw/zinc/46/50/46/849465046.db2.gz LCSNASOLSBNOQW-SFHVURJKSA-N 2 2 398.551 3.695 20 0 GHADLP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000155905898 849693278 /nfs/dbraw/zinc/69/32/78/849693278.db2.gz ZECDGYCYACRIQS-RXVVDRJESA-N 2 2 377.536 3.630 20 0 GHADLP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000155905898 849693282 /nfs/dbraw/zinc/69/32/82/849693282.db2.gz ZECDGYCYACRIQS-RXVVDRJESA-N 2 2 377.536 3.630 20 0 GHADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423262651 849821285 /nfs/dbraw/zinc/82/12/85/849821285.db2.gz NCHIWIRIDAQFKY-IERDGZPVSA-N 2 2 378.582 3.961 20 0 GHADLP CN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425209945 849821390 /nfs/dbraw/zinc/82/13/90/849821390.db2.gz VISZHWBASZGJPD-VXKWHMMOSA-N 2 2 388.515 3.665 20 0 GHADLP CN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425209945 849821395 /nfs/dbraw/zinc/82/13/95/849821395.db2.gz VISZHWBASZGJPD-VXKWHMMOSA-N 2 2 388.515 3.665 20 0 GHADLP CCC(CC)[C@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[NH+]1CCCC1 ZINC000504048828 849856023 /nfs/dbraw/zinc/85/60/23/849856023.db2.gz AAFUBWMCLWGVOI-QFIPXVFZSA-N 2 2 397.567 3.631 20 0 GHADLP Cc1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000423364004 849886658 /nfs/dbraw/zinc/88/66/58/849886658.db2.gz OOJUFZZWSNEVPX-KNQAVFIVSA-N 2 2 386.561 3.528 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(Br)cc1Br ZINC000423387673 849896922 /nfs/dbraw/zinc/89/69/22/849896922.db2.gz HXALYQCNBRSDIY-BFVZDQMLSA-N 2 2 376.136 3.860 20 0 GHADLP Brc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423492443 849953800 /nfs/dbraw/zinc/95/38/00/849953800.db2.gz NCIYCRRZRZKZBQ-RBUKOAKNSA-N 2 2 375.310 3.507 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(-c2ccccc2Br)s1 ZINC000423510452 849961205 /nfs/dbraw/zinc/96/12/05/849961205.db2.gz JQYHXEQJTAENKF-ZIAGYGMSSA-N 2 2 394.382 3.732 20 0 GHADLP Cc1ccc([C@@H]([NH2+]CCC[NH2+]C2CC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000423549122 849978110 /nfs/dbraw/zinc/97/81/10/849978110.db2.gz HJKUWUZWIMHGGT-QFIPXVFZSA-N 2 2 386.561 3.528 20 0 GHADLP CS(=O)(=O)c1cccc([C@H]([NH2+]CCC[NH2+]C2CC2)c2ccc(Cl)cc2)c1 ZINC000423549046 849978196 /nfs/dbraw/zinc/97/81/96/849978196.db2.gz HFIHGBZNVFGDRE-HXUWFJFHSA-N 2 2 392.952 3.565 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434994610 849982136 /nfs/dbraw/zinc/98/21/36/849982136.db2.gz KNWLRYKBLNABCZ-LBPRGKRZSA-N 2 2 382.386 3.515 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC000908412355 850085861 /nfs/dbraw/zinc/08/58/61/850085861.db2.gz VWRUKJYXZAQEBP-UHFFFAOYSA-N 2 2 384.505 3.799 20 0 GHADLP CC(=O)N(c1nc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cs1)c1ccc(F)cc1 ZINC000435370590 850438447 /nfs/dbraw/zinc/43/84/47/850438447.db2.gz POBXKUKAQOHPBT-CYBMUJFWSA-N 2 2 376.501 3.526 20 0 GHADLP COc1cc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)ccc1SC ZINC000435442177 850531768 /nfs/dbraw/zinc/53/17/68/850531768.db2.gz HASUWUYVQMOCBP-INIZCTEOSA-N 2 2 377.579 3.794 20 0 GHADLP COc1cc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)ccc1SC ZINC000435442177 850531778 /nfs/dbraw/zinc/53/17/78/850531778.db2.gz HASUWUYVQMOCBP-INIZCTEOSA-N 2 2 377.579 3.794 20 0 GHADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000732243688 862150490 /nfs/dbraw/zinc/15/04/90/862150490.db2.gz RQAPPNQQZOCHFQ-SFHVURJKSA-N 2 2 383.540 3.572 20 0 GHADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000732243688 862150496 /nfs/dbraw/zinc/15/04/96/862150496.db2.gz RQAPPNQQZOCHFQ-SFHVURJKSA-N 2 2 383.540 3.572 20 0 GHADLP O=C(C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1ccc(F)cc1F ZINC000435695067 850774322 /nfs/dbraw/zinc/77/43/22/850774322.db2.gz PWFZISZASQOGPW-GOSISDBHSA-N 2 2 391.487 3.609 20 0 GHADLP O=C(C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1ccc(F)cc1F ZINC000435695067 850774328 /nfs/dbraw/zinc/77/43/28/850774328.db2.gz PWFZISZASQOGPW-GOSISDBHSA-N 2 2 391.487 3.609 20 0 GHADLP [NH3+]CCCC[C@H]([NH2+][C@H]1CCc2cc(F)ccc2C1)C(=O)OCc1ccccc1 ZINC001168406610 850872233 /nfs/dbraw/zinc/87/22/33/850872233.db2.gz IBGTUICYTXJDSH-VXKWHMMOSA-N 2 2 384.495 3.514 20 0 GHADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)c(OC)c1 ZINC000414844668 851034951 /nfs/dbraw/zinc/03/49/51/851034951.db2.gz LCHHYAXNHNNDSX-OXJNMPFZSA-N 2 2 399.535 3.834 20 0 GHADLP CC(C)CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccoc1 ZINC000514095318 851332356 /nfs/dbraw/zinc/33/23/56/851332356.db2.gz QROZRYYPWBCHRY-JOCHJYFZSA-N 2 2 383.536 3.934 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)N(Cc1ccccc1)C1CC1 ZINC000434674199 851469142 /nfs/dbraw/zinc/46/91/42/851469142.db2.gz GWQJKTFYDWWXJG-UHFFFAOYSA-N 2 2 392.547 3.590 20 0 GHADLP CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688767 851478990 /nfs/dbraw/zinc/47/89/90/851478990.db2.gz PKIXVZXGCKEKPA-UHFFFAOYSA-N 2 2 394.563 3.836 20 0 GHADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000111465826 851669637 /nfs/dbraw/zinc/66/96/37/851669637.db2.gz PJZPHGKQDMPWHP-IBGZPJMESA-N 2 2 397.567 3.631 20 0 GHADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000111465826 851669640 /nfs/dbraw/zinc/66/96/40/851669640.db2.gz PJZPHGKQDMPWHP-IBGZPJMESA-N 2 2 397.567 3.631 20 0 GHADLP CC[N@H+](Cc1ccc(OC)nc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000438112738 852041185 /nfs/dbraw/zinc/04/11/85/852041185.db2.gz HIWUELQDRLPELY-UHFFFAOYSA-N 2 2 383.540 3.803 20 0 GHADLP CC[N@@H+](Cc1ccc(OC)nc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000438112738 852041199 /nfs/dbraw/zinc/04/11/99/852041199.db2.gz HIWUELQDRLPELY-UHFFFAOYSA-N 2 2 383.540 3.803 20 0 GHADLP CN(C(=O)[C@@H]1CC2CCC1CC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489135532 852054784 /nfs/dbraw/zinc/05/47/84/852054784.db2.gz ZVIXUMHOFPHJLT-MMHUWFFVSA-N 2 2 375.601 3.608 20 0 GHADLP CN(C(=O)[C@@H]1CC2CCC1CC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489135532 852054790 /nfs/dbraw/zinc/05/47/90/852054790.db2.gz ZVIXUMHOFPHJLT-MMHUWFFVSA-N 2 2 375.601 3.608 20 0 GHADLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000489399444 852302617 /nfs/dbraw/zinc/30/26/17/852302617.db2.gz YFJNGQZCKUNJQF-OFNKIYASSA-N 2 2 395.522 3.775 20 0 GHADLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000489399444 852302624 /nfs/dbraw/zinc/30/26/24/852302624.db2.gz YFJNGQZCKUNJQF-OFNKIYASSA-N 2 2 395.522 3.775 20 0 GHADLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000489399444 852302626 /nfs/dbraw/zinc/30/26/26/852302626.db2.gz YFJNGQZCKUNJQF-OFNKIYASSA-N 2 2 395.522 3.775 20 0 GHADLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000489399444 852302633 /nfs/dbraw/zinc/30/26/33/852302633.db2.gz YFJNGQZCKUNJQF-OFNKIYASSA-N 2 2 395.522 3.775 20 0 GHADLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000489399441 852303026 /nfs/dbraw/zinc/30/30/26/852303026.db2.gz YFJNGQZCKUNJQF-NZQKXSOJSA-N 2 2 395.522 3.775 20 0 GHADLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000489399441 852303035 /nfs/dbraw/zinc/30/30/35/852303035.db2.gz YFJNGQZCKUNJQF-NZQKXSOJSA-N 2 2 395.522 3.775 20 0 GHADLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000489399441 852303042 /nfs/dbraw/zinc/30/30/42/852303042.db2.gz YFJNGQZCKUNJQF-NZQKXSOJSA-N 2 2 395.522 3.775 20 0 GHADLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000489399441 852303046 /nfs/dbraw/zinc/30/30/46/852303046.db2.gz YFJNGQZCKUNJQF-NZQKXSOJSA-N 2 2 395.522 3.775 20 0 GHADLP CCC(CC)n1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000438454291 852420037 /nfs/dbraw/zinc/42/00/37/852420037.db2.gz JNEQHFSEKMBCHX-UHFFFAOYSA-N 3 2 389.632 3.872 20 0 GHADLP CCC(CC)n1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000438454291 852420039 /nfs/dbraw/zinc/42/00/39/852420039.db2.gz JNEQHFSEKMBCHX-UHFFFAOYSA-N 3 2 389.632 3.872 20 0 GHADLP C[C@@H]1C[NH+](CCC2CC[NH+](CC(=O)c3c[nH]c4ccccc34)CC2)C[C@@H](C)O1 ZINC000426814812 852424946 /nfs/dbraw/zinc/42/49/46/852424946.db2.gz IHXMMFLGGURVFZ-QZTJIDSGSA-N 2 2 383.536 3.562 20 0 GHADLP CN(C(=O)/C=C\c1ccc(C(C)(C)C)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732558914 862356950 /nfs/dbraw/zinc/35/69/50/862356950.db2.gz DTKHHZMEJJQCBT-GIVJRHHMSA-N 2 2 383.580 3.624 20 0 GHADLP CN(C(=O)/C=C\c1ccc(C(C)(C)C)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732558914 862356961 /nfs/dbraw/zinc/35/69/61/862356961.db2.gz DTKHHZMEJJQCBT-GIVJRHHMSA-N 2 2 383.580 3.624 20 0 GHADLP CC(C)c1ccc2cc(C(=O)N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)[nH]c2c1 ZINC000732559782 862357520 /nfs/dbraw/zinc/35/75/20/862357520.db2.gz RCAYKEIWAFQIJI-HXUWFJFHSA-N 2 2 382.552 3.532 20 0 GHADLP CC(C)c1ccc2cc(C(=O)N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)[nH]c2c1 ZINC000732559782 862357535 /nfs/dbraw/zinc/35/75/35/862357535.db2.gz RCAYKEIWAFQIJI-HXUWFJFHSA-N 2 2 382.552 3.532 20 0 GHADLP CCC[NH+](CCC)CCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507184787 852634957 /nfs/dbraw/zinc/63/49/57/852634957.db2.gz WPOYZMCPRZJZLR-IBGZPJMESA-N 2 2 389.588 3.621 20 0 GHADLP O=C(C[C@@H]1CC[NH2+]C1)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000427308700 852966967 /nfs/dbraw/zinc/96/69/67/852966967.db2.gz MQZARXHOIDQGOF-FDDCHVKYSA-N 2 2 397.950 3.573 20 0 GHADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000516901031 853144590 /nfs/dbraw/zinc/14/45/90/853144590.db2.gz LFDUWQBLJBKHLP-QGZVFWFLSA-N 2 2 381.524 3.738 20 0 GHADLP CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000516901031 853144598 /nfs/dbraw/zinc/14/45/98/853144598.db2.gz LFDUWQBLJBKHLP-QGZVFWFLSA-N 2 2 381.524 3.738 20 0 GHADLP C[C@@H]1C[N@@H+]([C@@H]2CCc3c2cc(Cl)cc3Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490628501 853151219 /nfs/dbraw/zinc/15/12/19/853151219.db2.gz HJKUQKHRNPBNKD-VOBQZIQPSA-N 2 2 382.379 3.939 20 0 GHADLP C[C@@H]1C[N@H+]([C@@H]2CCc3c2cc(Cl)cc3Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490628501 853151223 /nfs/dbraw/zinc/15/12/23/853151223.db2.gz HJKUQKHRNPBNKD-VOBQZIQPSA-N 2 2 382.379 3.939 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccn4cc[nH+]c4c3)cc2)C1 ZINC000439047104 853233244 /nfs/dbraw/zinc/23/32/44/853233244.db2.gz MQPGPOKVPFBCHB-QGZVFWFLSA-N 2 2 377.492 3.888 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccn4cc[nH+]c4c3)cc2)C1 ZINC000439047104 853233252 /nfs/dbraw/zinc/23/32/52/853233252.db2.gz MQPGPOKVPFBCHB-QGZVFWFLSA-N 2 2 377.492 3.888 20 0 GHADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426335739 853484044 /nfs/dbraw/zinc/48/40/44/853484044.db2.gz QSEXNKKYWHWMLX-GMQQQROESA-N 2 2 395.551 3.674 20 0 GHADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426335739 853484051 /nfs/dbraw/zinc/48/40/51/853484051.db2.gz QSEXNKKYWHWMLX-GMQQQROESA-N 2 2 395.551 3.674 20 0 GHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000440861476 853686335 /nfs/dbraw/zinc/68/63/35/853686335.db2.gz MIVZLNICOAMWIE-NRFANRHFSA-N 2 2 394.523 3.526 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c(C)c1 ZINC000440866019 853712413 /nfs/dbraw/zinc/71/24/13/853712413.db2.gz YVEAPGJLTYNSOY-SFTDATJTSA-N 2 2 399.583 3.907 20 0 GHADLP Fc1cccc(OC2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)c1 ZINC000528569930 862512229 /nfs/dbraw/zinc/51/22/29/862512229.db2.gz AGMLCQRFQSWNQX-UHFFFAOYSA-N 2 2 384.495 3.701 20 0 GHADLP CC1(C)CC[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000481927856 862534457 /nfs/dbraw/zinc/53/44/57/862534457.db2.gz SJQUOHBYWMDKCQ-OAQYLSRUSA-N 2 2 392.547 3.523 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NC2CCC(C)CC2)c(C)c1 ZINC000441375922 854160601 /nfs/dbraw/zinc/16/06/01/854160601.db2.gz CFMXEXZNZASMOK-BIJMAHLGSA-N 2 2 382.552 3.914 20 0 GHADLP COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441391177 854173557 /nfs/dbraw/zinc/17/35/57/854173557.db2.gz ZPVXETMGEKWGRU-NQIIRXRSSA-N 2 2 392.503 3.867 20 0 GHADLP CC(C)(C)OC(=O)N1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C(C)(C)C1 ZINC001167995750 854541312 /nfs/dbraw/zinc/54/13/12/854541312.db2.gz PPGGWGFBXUZDRI-DFNIBXOVSA-N 2 2 377.573 3.723 20 0 GHADLP CC(C)(C)OC(=O)N1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C(C)(C)C1 ZINC001167995750 854541319 /nfs/dbraw/zinc/54/13/19/854541319.db2.gz PPGGWGFBXUZDRI-DFNIBXOVSA-N 2 2 377.573 3.723 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C(C)(C)C1 ZINC001167995750 854541324 /nfs/dbraw/zinc/54/13/24/854541324.db2.gz PPGGWGFBXUZDRI-DFNIBXOVSA-N 2 2 377.573 3.723 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C(C)(C)C1 ZINC001167995750 854541331 /nfs/dbraw/zinc/54/13/31/854541331.db2.gz PPGGWGFBXUZDRI-DFNIBXOVSA-N 2 2 377.573 3.723 20 0 GHADLP Cc1cn2ccc(I)c(N[C@H]3CCCC[C@@H]3[NH+](C)C)c2[nH+]1 ZINC001168601403 854646142 /nfs/dbraw/zinc/64/61/42/854646142.db2.gz OHVDAVJXRSEYCV-KBPBESRZSA-N 2 2 398.292 3.532 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3ccccc3C[N@H+]3CCC[C@H](C)C3)[nH+]c12 ZINC000624580031 854917824 /nfs/dbraw/zinc/91/78/24/854917824.db2.gz MAIMHRQITMTFQD-SFHVURJKSA-N 2 2 390.531 3.734 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3ccccc3C[N@@H+]3CCC[C@H](C)C3)[nH+]c12 ZINC000624580031 854917833 /nfs/dbraw/zinc/91/78/33/854917833.db2.gz MAIMHRQITMTFQD-SFHVURJKSA-N 2 2 390.531 3.734 20 0 GHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000589838042 855158311 /nfs/dbraw/zinc/15/83/11/855158311.db2.gz RZUUIMOTNYBLQU-LBPRGKRZSA-N 2 2 377.311 3.947 20 0 GHADLP FC(F)(F)Oc1cccc(N2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001168395308 855168004 /nfs/dbraw/zinc/16/80/04/855168004.db2.gz UPTNJULEWWPVFX-UHFFFAOYSA-N 2 2 383.458 3.582 20 0 GHADLP Cc1csc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000459018890 855208789 /nfs/dbraw/zinc/20/87/89/855208789.db2.gz MZKGEGZUSFAEOD-PMACEKPBSA-N 2 2 392.613 3.535 20 0 GHADLP Cc1csc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000459018890 855208797 /nfs/dbraw/zinc/20/87/97/855208797.db2.gz MZKGEGZUSFAEOD-PMACEKPBSA-N 2 2 392.613 3.535 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)CC(C)C ZINC000107938122 855624300 /nfs/dbraw/zinc/62/43/00/855624300.db2.gz IVCGLRCQPVKLJC-FQEVSTJZSA-N 2 2 389.588 3.628 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591082609 855751158 /nfs/dbraw/zinc/75/11/58/855751158.db2.gz RUEYDYLAIZEQEZ-RBBKRZOGSA-N 2 2 390.487 3.909 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591082609 855751164 /nfs/dbraw/zinc/75/11/64/855751164.db2.gz RUEYDYLAIZEQEZ-RBBKRZOGSA-N 2 2 390.487 3.909 20 0 GHADLP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181097268 862749585 /nfs/dbraw/zinc/74/95/85/862749585.db2.gz YPGKAYFJPWBCBD-JOCHJYFZSA-N 2 2 392.503 3.984 20 0 GHADLP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181097268 862749591 /nfs/dbraw/zinc/74/95/91/862749591.db2.gz YPGKAYFJPWBCBD-JOCHJYFZSA-N 2 2 392.503 3.984 20 0 GHADLP CC[NH+](CC)CC1CC[NH+](Cn2cc(C)n(-c3ccc(Cl)cc3)c2=O)CC1 ZINC000738070901 856248650 /nfs/dbraw/zinc/24/86/50/856248650.db2.gz MJNFALRIQUPPQZ-UHFFFAOYSA-N 2 2 390.959 3.612 20 0 GHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 ZINC000573476287 856248752 /nfs/dbraw/zinc/24/87/52/856248752.db2.gz SBVFKOQDCHDXPO-KURKYZTESA-N 2 2 376.287 3.833 20 0 GHADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCC[C@@H]2c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465887375 856764097 /nfs/dbraw/zinc/76/40/97/856764097.db2.gz KSOHAHGVVINVTO-YADHBBJMSA-N 2 2 398.595 3.572 20 0 GHADLP Cc1cn2cc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)ccc2[nH+]1 ZINC000509211792 862842519 /nfs/dbraw/zinc/84/25/19/862842519.db2.gz OKEULTYPFHHJRK-SFHVURJKSA-N 2 2 384.430 3.739 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000665253009 857017226 /nfs/dbraw/zinc/01/72/26/857017226.db2.gz CXCYYMLQMRAGGJ-UJUVCNOISA-N 2 2 396.510 3.906 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253406 857050380 /nfs/dbraw/zinc/05/03/80/857050380.db2.gz PQOOQNOINZMWPO-WSXQUGQNSA-N 2 2 391.437 3.556 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056894720 857125257 /nfs/dbraw/zinc/12/52/57/857125257.db2.gz YMZHDOGUFUQYMR-UHFFFAOYSA-N 2 2 391.519 3.714 20 0 GHADLP Brc1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)cc1 ZINC000658293662 857255654 /nfs/dbraw/zinc/25/56/54/857255654.db2.gz IKTGWZLERRIQRR-OALUTQOASA-N 2 2 379.342 3.743 20 0 GHADLP Brc1cccc2c1OCCC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294205 857257680 /nfs/dbraw/zinc/25/76/80/857257680.db2.gz MHHRXCOMHRPCIV-MAUKXSAKSA-N 2 2 395.341 3.506 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000658292750 857263267 /nfs/dbraw/zinc/26/32/67/857263267.db2.gz AZCIERWHLITEJU-GRDNDAEWSA-N 2 2 387.351 3.992 20 0 GHADLP c1ccc(CCC[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000060277937 857419058 /nfs/dbraw/zinc/41/90/58/857419058.db2.gz LJTWTIGEZFWXSP-QHCPKHFHSA-N 2 2 378.564 3.548 20 0 GHADLP c1ccc(CCC[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000060277937 857419064 /nfs/dbraw/zinc/41/90/64/857419064.db2.gz LJTWTIGEZFWXSP-QHCPKHFHSA-N 2 2 378.564 3.548 20 0 GHADLP CN(C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000486105491 857433140 /nfs/dbraw/zinc/43/31/40/857433140.db2.gz AITJJJJQLKUHBH-SFTDATJTSA-N 2 2 378.605 3.640 20 0 GHADLP CN(C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000486105491 857433144 /nfs/dbraw/zinc/43/31/44/857433144.db2.gz AITJJJJQLKUHBH-SFTDATJTSA-N 2 2 378.605 3.640 20 0 GHADLP CCC(CC)[C@H](CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)[NH+]1CCCC1 ZINC000060536245 857452706 /nfs/dbraw/zinc/45/27/06/857452706.db2.gz TZIZGTKWYWTELD-FQEVSTJZSA-N 2 2 390.572 3.749 20 0 GHADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000675495671 857470471 /nfs/dbraw/zinc/47/04/71/857470471.db2.gz RBTMVBBCNYSSCI-RTBURBONSA-N 2 2 380.374 3.612 20 0 GHADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000675495671 857470482 /nfs/dbraw/zinc/47/04/82/857470482.db2.gz RBTMVBBCNYSSCI-RTBURBONSA-N 2 2 380.374 3.612 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)ccn12 ZINC000521064600 857552754 /nfs/dbraw/zinc/55/27/54/857552754.db2.gz FMNAEIAJTQSMCG-XMMPIXPASA-N 2 2 388.515 3.771 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)ccn12 ZINC000521064600 857552757 /nfs/dbraw/zinc/55/27/57/857552757.db2.gz FMNAEIAJTQSMCG-XMMPIXPASA-N 2 2 388.515 3.771 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000486476159 857774465 /nfs/dbraw/zinc/77/44/65/857774465.db2.gz ZELBHDNSXFOUPY-IFMALSPDSA-N 2 2 398.595 3.571 20 0 GHADLP CCn1c(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)nc2ccccc21 ZINC000676201438 857783072 /nfs/dbraw/zinc/78/30/72/857783072.db2.gz CQEBZFKXSYXPGN-UHFFFAOYSA-N 2 2 378.524 3.594 20 0 GHADLP COc1cc2c(c(CNc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)c1)O[C@@H](C)C2 ZINC000676201726 857783147 /nfs/dbraw/zinc/78/31/47/857783147.db2.gz IAKZKYVJEMRCBX-INIZCTEOSA-N 2 2 396.535 3.556 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1Br ZINC000676479414 857910296 /nfs/dbraw/zinc/91/02/96/857910296.db2.gz SVRJFVDHSTXTOA-HOCLYGCPSA-N 2 2 391.313 3.618 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1Br ZINC000676479414 857910302 /nfs/dbraw/zinc/91/03/02/857910302.db2.gz SVRJFVDHSTXTOA-HOCLYGCPSA-N 2 2 391.313 3.618 20 0 GHADLP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000132206546 857950138 /nfs/dbraw/zinc/95/01/38/857950138.db2.gz ISWGZNPENLBJPA-FCHUYYIVSA-N 2 2 395.551 3.531 20 0 GHADLP C[N@H+](CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442799081 858140946 /nfs/dbraw/zinc/14/09/46/858140946.db2.gz YQDHVARTFPFJRC-XNMUZJSGSA-N 2 2 375.532 3.634 20 0 GHADLP C[N@@H+](CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442799081 858140953 /nfs/dbraw/zinc/14/09/53/858140953.db2.gz YQDHVARTFPFJRC-XNMUZJSGSA-N 2 2 375.532 3.634 20 0 GHADLP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000674092561 862997835 /nfs/dbraw/zinc/99/78/35/862997835.db2.gz OUUNQYXQPUIFIW-NHCUHLMSSA-N 2 2 391.987 3.707 20 0 GHADLP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000674092561 862997846 /nfs/dbraw/zinc/99/78/46/862997846.db2.gz OUUNQYXQPUIFIW-NHCUHLMSSA-N 2 2 391.987 3.707 20 0 GHADLP COc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OCc1ccccc1 ZINC000521821939 858355815 /nfs/dbraw/zinc/35/58/15/858355815.db2.gz IBQSTTMZZQKCCI-WOJBJXKFSA-N 2 2 398.547 3.863 20 0 GHADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000521998450 858522219 /nfs/dbraw/zinc/52/22/19/858522219.db2.gz KUNQSLZMGLJTCK-OAQYLSRUSA-N 2 2 387.568 3.844 20 0 GHADLP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000067331915 858530039 /nfs/dbraw/zinc/53/00/39/858530039.db2.gz OMSFVTIDMKNSHQ-JOCHJYFZSA-N 2 2 380.536 3.706 20 0 GHADLP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000067331915 858530045 /nfs/dbraw/zinc/53/00/45/858530045.db2.gz OMSFVTIDMKNSHQ-JOCHJYFZSA-N 2 2 380.536 3.706 20 0 GHADLP CCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)CC1 ZINC000183304766 858716526 /nfs/dbraw/zinc/71/65/26/858716526.db2.gz GDVQWXQFOSXJQE-QHCPKHFHSA-N 2 2 379.548 3.725 20 0 GHADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3ccc(O[C@H]4CCOC4)cc3)C2)n2c1CCCC2 ZINC000668104068 858769672 /nfs/dbraw/zinc/76/96/72/858769672.db2.gz ABCTYBKYXUIJFA-UGKGYDQZSA-N 2 2 381.520 3.767 20 0 GHADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3ccc(O[C@H]4CCOC4)cc3)C2)n2c1CCCC2 ZINC000668104068 858769678 /nfs/dbraw/zinc/76/96/78/858769678.db2.gz ABCTYBKYXUIJFA-UGKGYDQZSA-N 2 2 381.520 3.767 20 0 GHADLP Clc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCCCO2 ZINC000676712930 858773405 /nfs/dbraw/zinc/77/34/05/858773405.db2.gz UBWZMWNSTMLHED-APWZRJJASA-N 2 2 376.928 3.950 20 0 GHADLP Clc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCCCO2 ZINC000676712930 858773410 /nfs/dbraw/zinc/77/34/10/858773410.db2.gz UBWZMWNSTMLHED-APWZRJJASA-N 2 2 376.928 3.950 20 0 GHADLP Clc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCCCO2 ZINC000676712930 858773413 /nfs/dbraw/zinc/77/34/13/858773413.db2.gz UBWZMWNSTMLHED-APWZRJJASA-N 2 2 376.928 3.950 20 0 GHADLP Clc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc2c1OCCCO2 ZINC000676712930 858773416 /nfs/dbraw/zinc/77/34/16/858773416.db2.gz UBWZMWNSTMLHED-APWZRJJASA-N 2 2 376.928 3.950 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@H]3Cc4cccc(Cl)c4C3)CC2)cc1 ZINC001168710411 858801254 /nfs/dbraw/zinc/80/12/54/858801254.db2.gz ZQXPBUVBXSOAER-FQEVSTJZSA-N 2 2 398.934 3.848 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000482795528 858869601 /nfs/dbraw/zinc/86/96/01/858869601.db2.gz ZFLVHHYNXDMOIF-GUYCJALGSA-N 2 2 377.330 3.516 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000482795528 858869610 /nfs/dbraw/zinc/86/96/10/858869610.db2.gz ZFLVHHYNXDMOIF-GUYCJALGSA-N 2 2 377.330 3.516 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000532186922 881358742 /nfs/dbraw/zinc/35/87/42/881358742.db2.gz QDOUMMYCHZIEFU-JXFKEZNVSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000532186922 881358751 /nfs/dbraw/zinc/35/87/51/881358751.db2.gz QDOUMMYCHZIEFU-JXFKEZNVSA-N 2 2 375.463 3.726 20 0 GHADLP O=C1CCCN1C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000162270394 859167680 /nfs/dbraw/zinc/16/76/80/859167680.db2.gz KWNNUYKKGGGZCV-LJQANCHMSA-N 2 2 397.485 3.835 20 0 GHADLP COC(=O)c1sc2cccc(F)c2c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000483480882 859403722 /nfs/dbraw/zinc/40/37/22/859403722.db2.gz XLELPPWIMNQDNT-CZUORRHYSA-N 2 2 376.497 3.743 20 0 GHADLP COC(=O)c1sc2cccc(F)c2c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000483480882 859403733 /nfs/dbraw/zinc/40/37/33/859403733.db2.gz XLELPPWIMNQDNT-CZUORRHYSA-N 2 2 376.497 3.743 20 0 GHADLP COC(=O)c1sc2cccc(F)c2c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000483480882 859403742 /nfs/dbraw/zinc/40/37/42/859403742.db2.gz XLELPPWIMNQDNT-CZUORRHYSA-N 2 2 376.497 3.743 20 0 GHADLP COC(=O)c1sc2cccc(F)c2c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000483480882 859403748 /nfs/dbraw/zinc/40/37/48/859403748.db2.gz XLELPPWIMNQDNT-CZUORRHYSA-N 2 2 376.497 3.743 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000483837586 859654541 /nfs/dbraw/zinc/65/45/41/859654541.db2.gz WLRLBAZCAISMJY-HZPDHXFCSA-N 2 2 384.505 3.656 20 0 GHADLP Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000484071599 859787460 /nfs/dbraw/zinc/78/74/60/859787460.db2.gz UIHKEAIFVQXZCB-XMMPIXPASA-N 2 2 390.531 3.652 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC3CCC(c4ccccc4)CC3)C2)CC1 ZINC000602192857 859830943 /nfs/dbraw/zinc/83/09/43/859830943.db2.gz CNUYMTFDAZBPLO-KITAHSCOSA-N 2 2 383.580 3.635 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC3CCC(c4ccccc4)CC3)C2)CC1 ZINC000602192857 859830952 /nfs/dbraw/zinc/83/09/52/859830952.db2.gz CNUYMTFDAZBPLO-KITAHSCOSA-N 2 2 383.580 3.635 20 0 GHADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1OCC(=O)N(C)C ZINC000765250375 859865745 /nfs/dbraw/zinc/86/57/45/859865745.db2.gz LQSYLKIAEZDLNS-AZUAARDMSA-N 2 2 386.540 3.506 20 0 GHADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCCCNc1cccc[nH+]1)[NH+](C)C ZINC000508915270 859987796 /nfs/dbraw/zinc/98/77/96/859987796.db2.gz FKDCSAIDOAWOQJ-WIYYLYMNSA-N 2 2 383.540 3.573 20 0 GHADLP CC[N@H+](Cc1c[nH]c(C(=O)OC)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000537628010 881499995 /nfs/dbraw/zinc/49/99/95/881499995.db2.gz ZDTFPZJADQJZRC-UHFFFAOYSA-N 2 2 399.539 3.514 20 0 GHADLP CC[N@@H+](Cc1c[nH]c(C(=O)OC)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000537628010 881500007 /nfs/dbraw/zinc/50/00/07/881500007.db2.gz ZDTFPZJADQJZRC-UHFFFAOYSA-N 2 2 399.539 3.514 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(CC[NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000727467863 860105255 /nfs/dbraw/zinc/10/52/55/860105255.db2.gz AQTCFMAILFQQOK-UHFFFAOYSA-N 2 2 384.524 3.999 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000602822433 860297232 /nfs/dbraw/zinc/29/72/32/860297232.db2.gz FIWDAKKSFDVZTK-GOSISDBHSA-N 2 2 387.549 3.710 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000602822433 860297239 /nfs/dbraw/zinc/29/72/39/860297239.db2.gz FIWDAKKSFDVZTK-GOSISDBHSA-N 2 2 387.549 3.710 20 0 GHADLP CSCc1cnc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000508968197 860343970 /nfs/dbraw/zinc/34/39/70/860343970.db2.gz VXYSCYLVONHIIK-HZPDHXFCSA-N 2 2 383.627 3.717 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1ncc[nH]1 ZINC000285868060 860388219 /nfs/dbraw/zinc/38/82/19/860388219.db2.gz YUPTXWLCGIJTDP-LJQANCHMSA-N 2 2 375.520 3.583 20 0 GHADLP CC(C)(CO)[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000519675584 860558355 /nfs/dbraw/zinc/55/83/55/860558355.db2.gz YQLLUGXEIBLBSY-HSZRJFAPSA-N 2 2 381.564 3.548 20 0 GHADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccccc1Br ZINC000116397080 860560314 /nfs/dbraw/zinc/56/03/14/860560314.db2.gz HJSZKXYEYMKPPL-CZUORRHYSA-N 2 2 384.362 3.732 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000509036945 860644274 /nfs/dbraw/zinc/64/42/74/860644274.db2.gz ZEQQNGVLYHDADP-NRFANRHFSA-N 2 2 389.547 3.735 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCCC1)c1ccccc1 ZINC000603611237 860904116 /nfs/dbraw/zinc/90/41/16/860904116.db2.gz YWRINKXAWSALST-PZJWPPBQSA-N 2 2 395.551 3.893 20 0 GHADLP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)COC2 ZINC000481313139 861044886 /nfs/dbraw/zinc/04/48/86/861044886.db2.gz JFTROCIDRCVLNC-NRFANRHFSA-N 2 2 393.575 3.965 20 0 GHADLP CN(CCC[N@H+](C)Cc1ccco1)c1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624219302 863150813 /nfs/dbraw/zinc/15/08/13/863150813.db2.gz QCYRIKPKPKQBSH-UHFFFAOYSA-N 2 2 377.492 3.548 20 0 GHADLP CN(CCC[N@@H+](C)Cc1ccco1)c1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624219302 863150819 /nfs/dbraw/zinc/15/08/19/863150819.db2.gz QCYRIKPKPKQBSH-UHFFFAOYSA-N 2 2 377.492 3.548 20 0 GHADLP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000522745340 863190928 /nfs/dbraw/zinc/19/09/28/863190928.db2.gz SBAYNKKSINWUHN-UHFFFAOYSA-N 2 2 382.895 3.730 20 0 GHADLP COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000182623614 863304755 /nfs/dbraw/zinc/30/47/55/863304755.db2.gz GZBZEWGJGGQOOJ-OAQYLSRUSA-N 2 2 383.517 4.000 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CCCC1)c1ccccc1 ZINC000183001773 863441746 /nfs/dbraw/zinc/44/17/46/863441746.db2.gz IYSCNJRAKBJSMH-IHPCNDPISA-N 2 2 378.582 3.595 20 0 GHADLP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000606435024 863611796 /nfs/dbraw/zinc/61/17/96/863611796.db2.gz YZWAWFDWPMEKPG-WOJBJXKFSA-N 2 2 397.588 3.579 20 0 GHADLP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000606435024 863611811 /nfs/dbraw/zinc/61/18/11/863611811.db2.gz YZWAWFDWPMEKPG-WOJBJXKFSA-N 2 2 397.588 3.579 20 0 GHADLP CC(C)OC(=O)CC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000533957552 863889628 /nfs/dbraw/zinc/88/96/28/863889628.db2.gz KQIUQRFVXDVYSE-UHFFFAOYSA-N 2 2 386.458 3.943 20 0 GHADLP CC(C)OC(=O)CC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000533957552 863889639 /nfs/dbraw/zinc/88/96/39/863889639.db2.gz KQIUQRFVXDVYSE-UHFFFAOYSA-N 2 2 386.458 3.943 20 0 GHADLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(Cl)ccc1Cl ZINC000159206722 864066810 /nfs/dbraw/zinc/06/68/10/864066810.db2.gz XXRHGHHYPJTZJG-CQSZACIVSA-N 2 2 379.335 3.991 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[NH+]1CCc2ccccc2C1 ZINC000480275631 864385239 /nfs/dbraw/zinc/38/52/39/864385239.db2.gz DTBWKAWLQKGMMN-OFVILXPXSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[NH+]1CCc2ccccc2C1 ZINC000480275631 864385252 /nfs/dbraw/zinc/38/52/52/864385252.db2.gz DTBWKAWLQKGMMN-OFVILXPXSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000480275631 864385267 /nfs/dbraw/zinc/38/52/67/864385267.db2.gz DTBWKAWLQKGMMN-OFVILXPXSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000480275631 864385283 /nfs/dbraw/zinc/38/52/83/864385283.db2.gz DTBWKAWLQKGMMN-OFVILXPXSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[NH+]1CCc2ccccc2C1 ZINC000480275633 864386143 /nfs/dbraw/zinc/38/61/43/864386143.db2.gz DTBWKAWLQKGMMN-SQJMNOBHSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[NH+]1CCc2ccccc2C1 ZINC000480275633 864386157 /nfs/dbraw/zinc/38/61/57/864386157.db2.gz DTBWKAWLQKGMMN-SQJMNOBHSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000480275633 864386175 /nfs/dbraw/zinc/38/61/75/864386175.db2.gz DTBWKAWLQKGMMN-SQJMNOBHSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000480275633 864386192 /nfs/dbraw/zinc/38/61/92/864386192.db2.gz DTBWKAWLQKGMMN-SQJMNOBHSA-N 3 2 377.576 3.935 20 0 GHADLP Fc1ccc(-n2nccc2C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000475192727 864530278 /nfs/dbraw/zinc/53/02/78/864530278.db2.gz BCSVNFMMYULTHE-UHFFFAOYSA-N 2 2 379.483 3.924 20 0 GHADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000475289288 864720608 /nfs/dbraw/zinc/72/06/08/864720608.db2.gz YGZBRFQDFFKUFV-UHFFFAOYSA-N 2 2 393.535 3.956 20 0 GHADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000475289288 864720615 /nfs/dbraw/zinc/72/06/15/864720615.db2.gz YGZBRFQDFFKUFV-UHFFFAOYSA-N 2 2 393.535 3.956 20 0 GHADLP Brc1ccoc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000735321550 864723876 /nfs/dbraw/zinc/72/38/76/864723876.db2.gz VZPFLRZTJZAFLA-UHFFFAOYSA-N 2 2 379.298 3.807 20 0 GHADLP c1ccc(COC2CC([NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000494511516 881802194 /nfs/dbraw/zinc/80/21/94/881802194.db2.gz HYLZPSVLAWRENL-KXTRFFEISA-N 2 2 380.532 3.615 20 0 GHADLP c1ccc(COC2CC([NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000494511516 881802205 /nfs/dbraw/zinc/80/22/05/881802205.db2.gz HYLZPSVLAWRENL-KXTRFFEISA-N 2 2 380.532 3.615 20 0 GHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1 ZINC000167860748 864801780 /nfs/dbraw/zinc/80/17/80/864801780.db2.gz QVAQBTUOXDQFNC-DLBZAZTESA-N 2 2 389.565 3.838 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000480558793 864860929 /nfs/dbraw/zinc/86/09/29/864860929.db2.gz SSWGUHXRFKZYLM-XUZZJYLKSA-N 3 2 388.559 3.974 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000480558793 864860947 /nfs/dbraw/zinc/86/09/47/864860947.db2.gz SSWGUHXRFKZYLM-XUZZJYLKSA-N 3 2 388.559 3.974 20 0 GHADLP COc1cccc(N2CC[NH+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001168064753 865021563 /nfs/dbraw/zinc/02/15/63/865021563.db2.gz RSCXWJWZIMYJJS-WOJBJXKFSA-N 2 2 394.563 3.654 20 0 GHADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)ccc21 ZINC000455950491 865058257 /nfs/dbraw/zinc/05/82/57/865058257.db2.gz ZMNSXRHMRFNIGP-HXUWFJFHSA-N 2 2 393.466 3.882 20 0 GHADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608313751 865226750 /nfs/dbraw/zinc/22/67/50/865226750.db2.gz LUZPMWSBTQZTNN-IBGZPJMESA-N 2 2 377.492 3.710 20 0 GHADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608313751 865226765 /nfs/dbraw/zinc/22/67/65/865226765.db2.gz LUZPMWSBTQZTNN-IBGZPJMESA-N 2 2 377.492 3.710 20 0 GHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000480771398 865269609 /nfs/dbraw/zinc/26/96/09/865269609.db2.gz RBAQELOPDWDOGB-MSOLQXFVSA-N 2 2 375.476 3.849 20 0 GHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000480771400 865269652 /nfs/dbraw/zinc/26/96/52/865269652.db2.gz RBAQELOPDWDOGB-ROUUACIJSA-N 2 2 375.476 3.849 20 0 GHADLP Cn1cc[nH+]c1C[C@@H](NC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000608431400 865328404 /nfs/dbraw/zinc/32/84/04/865328404.db2.gz YZQHBOFLCLOUQC-OAQYLSRUSA-N 2 2 397.567 3.659 20 0 GHADLP Cc1c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cnn1-c1ccc(Cl)cc1Cl ZINC000481023881 865697111 /nfs/dbraw/zinc/69/71/11/865697111.db2.gz NMVAIROBWXVGKK-BBRMVZONSA-N 2 2 397.350 3.595 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cnn1-c1ccc(Cl)cc1Cl ZINC000481023883 865697129 /nfs/dbraw/zinc/69/71/29/865697129.db2.gz NMVAIROBWXVGKK-CZUORRHYSA-N 2 2 397.350 3.595 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000481027945 865704593 /nfs/dbraw/zinc/70/45/93/865704593.db2.gz XGEZQACKAHFDJO-IAQYHMDHSA-N 2 2 384.364 3.832 20 0 GHADLP Cc1ccc2[nH+]ccc(NCc3cccc(OCC[NH+]4CCOCC4)c3)c2c1 ZINC000302146471 865733297 /nfs/dbraw/zinc/73/32/97/865733297.db2.gz ICWMFQHAKRRHHJ-UHFFFAOYSA-N 2 2 377.488 3.866 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1c2ccccc2C[C@H]1C ZINC000481167701 865911157 /nfs/dbraw/zinc/91/11/57/865911157.db2.gz LTCHJZTZTVEKLB-ISHFTEKXSA-N 2 2 391.559 3.853 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1c2ccccc2C[C@H]1C ZINC000481167701 865911167 /nfs/dbraw/zinc/91/11/67/865911167.db2.gz LTCHJZTZTVEKLB-ISHFTEKXSA-N 2 2 391.559 3.853 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000481169782 865915040 /nfs/dbraw/zinc/91/50/40/865915040.db2.gz FWDURAJRVZHVBF-VOQZNFBZSA-N 2 2 397.950 3.946 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000481169782 865915048 /nfs/dbraw/zinc/91/50/48/865915048.db2.gz FWDURAJRVZHVBF-VOQZNFBZSA-N 2 2 397.950 3.946 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NCc1ccccc1Cl ZINC000481176150 865928443 /nfs/dbraw/zinc/92/84/43/865928443.db2.gz XGZDNZUSXWJOQD-SPEDKVCISA-N 2 2 399.966 3.845 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NCc1ccccc1Cl ZINC000481176150 865928453 /nfs/dbraw/zinc/92/84/53/865928453.db2.gz XGZDNZUSXWJOQD-SPEDKVCISA-N 2 2 399.966 3.845 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481182374 865942668 /nfs/dbraw/zinc/94/26/68/865942668.db2.gz BKCDFSRQFRWCTM-SVFBPWRDSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481182374 865942676 /nfs/dbraw/zinc/94/26/76/865942676.db2.gz BKCDFSRQFRWCTM-SVFBPWRDSA-N 2 2 395.547 3.831 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000481186404 865950672 /nfs/dbraw/zinc/95/06/72/865950672.db2.gz FTPMCOCRCJYXAU-MAODMQOUSA-N 2 2 399.485 3.570 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000481186404 865950683 /nfs/dbraw/zinc/95/06/83/865950683.db2.gz FTPMCOCRCJYXAU-MAODMQOUSA-N 2 2 399.485 3.570 20 0 GHADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481174453 865961503 /nfs/dbraw/zinc/96/15/03/865961503.db2.gz KXMMTZLWDMISHX-WFXMLNOXSA-N 2 2 383.511 3.961 20 0 GHADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481174453 865961517 /nfs/dbraw/zinc/96/15/17/865961517.db2.gz KXMMTZLWDMISHX-WFXMLNOXSA-N 2 2 383.511 3.961 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481190446 865971517 /nfs/dbraw/zinc/97/15/17/865971517.db2.gz ORNLUAKCKQLFRC-IRFCIJBXSA-N 2 2 395.547 3.913 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481190446 865971526 /nfs/dbraw/zinc/97/15/26/865971526.db2.gz ORNLUAKCKQLFRC-IRFCIJBXSA-N 2 2 395.547 3.913 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481196476 865985382 /nfs/dbraw/zinc/98/53/82/865985382.db2.gz ZIBYDGOURZEORM-DPLHUUCSSA-N 2 2 393.575 3.924 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481196476 865985388 /nfs/dbraw/zinc/98/53/88/865985388.db2.gz ZIBYDGOURZEORM-DPLHUUCSSA-N 2 2 393.575 3.924 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2)C1=O ZINC000481202266 865995567 /nfs/dbraw/zinc/99/55/67/865995567.db2.gz SBKBVTVDINUKLW-WTIAFYNJSA-N 2 2 377.532 3.682 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2)C1=O ZINC000481202266 865995574 /nfs/dbraw/zinc/99/55/74/865995574.db2.gz SBKBVTVDINUKLW-WTIAFYNJSA-N 2 2 377.532 3.682 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000552902409 866465124 /nfs/dbraw/zinc/46/51/24/866465124.db2.gz BANQWTNLSOEXJC-NZQKXSOJSA-N 2 2 379.548 3.678 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000552902409 866465135 /nfs/dbraw/zinc/46/51/35/866465135.db2.gz BANQWTNLSOEXJC-NZQKXSOJSA-N 2 2 379.548 3.678 20 0 GHADLP CN(C(=O)C1CCC(C)(C)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359246 866642196 /nfs/dbraw/zinc/64/21/96/866642196.db2.gz NQFDWDFOVJPGEL-SFTDATJTSA-N 2 2 377.617 3.998 20 0 GHADLP CN(C(=O)C1CCC(C)(C)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359246 866642201 /nfs/dbraw/zinc/64/22/01/866642201.db2.gz NQFDWDFOVJPGEL-SFTDATJTSA-N 2 2 377.617 3.998 20 0 GHADLP Cc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534361283 866646041 /nfs/dbraw/zinc/64/60/41/866646041.db2.gz XIUJCVJVJMOZGC-GOTSBHOMSA-N 2 2 385.596 3.723 20 0 GHADLP Cc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534361283 866646046 /nfs/dbraw/zinc/64/60/46/866646046.db2.gz XIUJCVJVJMOZGC-GOTSBHOMSA-N 2 2 385.596 3.723 20 0 GHADLP C[C@@H]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534384984 866698787 /nfs/dbraw/zinc/69/87/87/866698787.db2.gz MQOSCKBHKDQDOE-UGESXGAOSA-N 2 2 392.632 3.791 20 0 GHADLP C[C@@H]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534384984 866698800 /nfs/dbraw/zinc/69/88/00/866698800.db2.gz MQOSCKBHKDQDOE-UGESXGAOSA-N 2 2 392.632 3.791 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900978 882036999 /nfs/dbraw/zinc/03/69/99/882036999.db2.gz OLOZFGVSMMDWHI-DNVCBOLYSA-N 2 2 380.879 3.982 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1cccc(OC)c1 ZINC000523419738 867289500 /nfs/dbraw/zinc/28/95/00/867289500.db2.gz RVJZYRLTJXIADE-FQEVSTJZSA-N 2 2 395.507 3.856 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(-c2ccccc2Br)s1 ZINC000154342468 867362626 /nfs/dbraw/zinc/36/26/26/867362626.db2.gz PMCGLQJSHOLHQW-CHWSQXEVSA-N 2 2 383.355 3.751 20 0 GHADLP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534861770 867661657 /nfs/dbraw/zinc/66/16/57/867661657.db2.gz AOSVSFMOXKMIHM-FUHWJXTLSA-N 2 2 384.549 3.772 20 0 GHADLP CC[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(OC)c1 ZINC000155155235 867775035 /nfs/dbraw/zinc/77/50/35/867775035.db2.gz BDZRAUZQUAHNHK-QHCPKHFHSA-N 2 2 384.520 3.647 20 0 GHADLP c1ccc2c(c1)SCC[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155158116 867776134 /nfs/dbraw/zinc/77/61/34/867776134.db2.gz LVZLERQCTUGZCP-OAQYLSRUSA-N 2 2 384.545 3.724 20 0 GHADLP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155165317 867780478 /nfs/dbraw/zinc/78/04/78/867780478.db2.gz YQEYXLSSPLJHDU-LJQANCHMSA-N 2 2 384.520 3.565 20 0 GHADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155189127 867795604 /nfs/dbraw/zinc/79/56/04/867795604.db2.gz OCLQPLHSBARVIV-UZUQRXQVSA-N 2 2 384.495 3.560 20 0 GHADLP CN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097484 868164651 /nfs/dbraw/zinc/16/46/51/868164651.db2.gz SRKPGMHWYFCWPQ-YADHBBJMSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097484 868164657 /nfs/dbraw/zinc/16/46/57/868164657.db2.gz SRKPGMHWYFCWPQ-YADHBBJMSA-N 2 2 382.552 3.577 20 0 GHADLP OCCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000667552763 868519019 /nfs/dbraw/zinc/51/90/19/868519019.db2.gz SIKXBMPCMJPIIX-UHFFFAOYSA-N 2 2 391.302 3.959 20 0 GHADLP OCCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000667552763 868519031 /nfs/dbraw/zinc/51/90/31/868519031.db2.gz SIKXBMPCMJPIIX-UHFFFAOYSA-N 2 2 391.302 3.959 20 0 GHADLP Cc1cc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)ccc1OCC[NH+]1CCCC1 ZINC000524236509 868785886 /nfs/dbraw/zinc/78/58/86/868785886.db2.gz QPIAWRRBBPXFIW-UHFFFAOYSA-N 2 2 390.487 3.908 20 0 GHADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000155501920 868828870 /nfs/dbraw/zinc/82/88/70/868828870.db2.gz RQPJISQWBSSWTJ-UHFFFAOYSA-N 2 2 376.447 3.646 20 0 GHADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000155501920 868828883 /nfs/dbraw/zinc/82/88/83/868828883.db2.gz RQPJISQWBSSWTJ-UHFFFAOYSA-N 2 2 376.447 3.646 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)C1 ZINC000524368537 868993634 /nfs/dbraw/zinc/99/36/34/868993634.db2.gz RCKQILPSINXRDC-NQIIRXRSSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)C1 ZINC000524368537 868993637 /nfs/dbraw/zinc/99/36/37/868993637.db2.gz RCKQILPSINXRDC-NQIIRXRSSA-N 2 2 395.551 3.731 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(Br)cc3c1OCC3)CCC2 ZINC000462531598 869625319 /nfs/dbraw/zinc/62/53/19/869625319.db2.gz NJOMRXAZMXAGRA-AWEZNQCLSA-N 2 2 376.298 3.556 20 0 GHADLP Brc1cc2c(c(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c1)OCC2 ZINC000462795461 870098710 /nfs/dbraw/zinc/09/87/10/870098710.db2.gz SQLHHVCNWQCYCU-KXBFYZLASA-N 2 2 391.353 3.833 20 0 GHADLP Brc1cc2c(c(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c1)OCC2 ZINC000462795461 870098721 /nfs/dbraw/zinc/09/87/21/870098721.db2.gz SQLHHVCNWQCYCU-KXBFYZLASA-N 2 2 391.353 3.833 20 0 GHADLP Brc1cc2c(c(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c1)OCC2 ZINC000462795461 870098732 /nfs/dbraw/zinc/09/87/32/870098732.db2.gz SQLHHVCNWQCYCU-KXBFYZLASA-N 2 2 391.353 3.833 20 0 GHADLP Brc1cc2c(c(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c1)OCC2 ZINC000462795461 870098741 /nfs/dbraw/zinc/09/87/41/870098741.db2.gz SQLHHVCNWQCYCU-KXBFYZLASA-N 2 2 391.353 3.833 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cnn(C(C)(C)C)c3C)cc2)CC1 ZINC000191181844 882378455 /nfs/dbraw/zinc/37/84/55/882378455.db2.gz JSZXIVBWMIVPBZ-IBGZPJMESA-N 2 2 397.611 3.935 20 0 GHADLP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000122019995 882381361 /nfs/dbraw/zinc/38/13/61/882381361.db2.gz FQILGEQEBJXKPP-LJQANCHMSA-N 2 2 386.561 3.625 20 0 GHADLP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000122019762 882382431 /nfs/dbraw/zinc/38/24/31/882382431.db2.gz FQILGEQEBJXKPP-IBGZPJMESA-N 2 2 386.561 3.625 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[NH+]3CCC([C@H]4CCOC4)CC3)CC2)cc1 ZINC001192472797 870389033 /nfs/dbraw/zinc/38/90/33/870389033.db2.gz YRMITJCAMQOOBM-FQEVSTJZSA-N 2 2 391.987 3.601 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)c(C)c1 ZINC000540148400 870602817 /nfs/dbraw/zinc/60/28/17/870602817.db2.gz MSZIRQRBBXEOSH-PGRDOPGGSA-N 2 2 387.491 3.568 20 0 GHADLP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(OCCC)c1 ZINC000538795309 870623091 /nfs/dbraw/zinc/62/30/91/870623091.db2.gz UKXIJLRFTBYORS-KJXAQDMKSA-N 2 2 390.568 3.948 20 0 GHADLP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(OCCC)c1 ZINC000538795309 870623100 /nfs/dbraw/zinc/62/31/00/870623100.db2.gz UKXIJLRFTBYORS-KJXAQDMKSA-N 2 2 390.568 3.948 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Br ZINC000538799291 870630583 /nfs/dbraw/zinc/63/05/83/870630583.db2.gz XKXAZJYNTPXEPI-CRAIPNDOSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Br ZINC000538799291 870630593 /nfs/dbraw/zinc/63/05/93/870630593.db2.gz XKXAZJYNTPXEPI-CRAIPNDOSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC000538799291 870630602 /nfs/dbraw/zinc/63/06/02/870630602.db2.gz XKXAZJYNTPXEPI-CRAIPNDOSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Br ZINC000538799291 870630609 /nfs/dbraw/zinc/63/06/09/870630609.db2.gz XKXAZJYNTPXEPI-CRAIPNDOSA-N 2 2 379.342 3.906 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000540152858 870634790 /nfs/dbraw/zinc/63/47/90/870634790.db2.gz SOSONEULPQPMBB-SJORKVTESA-N 2 2 396.535 3.925 20 0 GHADLP COC(=O)C1(C)CCC([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001168793990 870761013 /nfs/dbraw/zinc/76/10/13/870761013.db2.gz ICZUNFFTLPSYTC-UHFFFAOYSA-N 2 2 376.516 3.844 20 0 GHADLP COC(=O)C1(C)CCC([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001168793990 870761026 /nfs/dbraw/zinc/76/10/26/870761026.db2.gz ICZUNFFTLPSYTC-UHFFFAOYSA-N 2 2 376.516 3.844 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3ccc(OC)cc3s2)[C@@H](C)C1 ZINC000249378433 870818427 /nfs/dbraw/zinc/81/84/27/870818427.db2.gz QBLLVPCVBCUUPG-DOTOQJQBSA-N 2 2 377.554 3.532 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc3ccc(OC)cc3s2)[C@@H](C)C1 ZINC000249378433 870818434 /nfs/dbraw/zinc/81/84/34/870818434.db2.gz QBLLVPCVBCUUPG-DOTOQJQBSA-N 2 2 377.554 3.532 20 0 GHADLP CC(=O)c1ccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000249496515 870845514 /nfs/dbraw/zinc/84/55/14/870845514.db2.gz WFJANQPAZWWAAA-PFWHTEFJSA-N 2 2 393.531 3.574 20 0 GHADLP CC(=O)c1ccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000249496515 870845524 /nfs/dbraw/zinc/84/55/24/870845524.db2.gz WFJANQPAZWWAAA-PFWHTEFJSA-N 2 2 393.531 3.574 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001168825679 870879808 /nfs/dbraw/zinc/87/98/08/870879808.db2.gz UDAZIUVIHXAOLP-NRSPTQNISA-N 2 2 387.568 3.681 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)CN1C(=O)OC(C)(C)C ZINC001168835559 870892397 /nfs/dbraw/zinc/89/23/97/870892397.db2.gz SPKYICPPHNLFIC-CVEARBPZSA-N 2 2 393.959 3.988 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000540319889 870972118 /nfs/dbraw/zinc/97/21/18/870972118.db2.gz WLFHNBQLDLQESU-QFIPXVFZSA-N 2 2 396.922 3.764 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000540319889 870972124 /nfs/dbraw/zinc/97/21/24/870972124.db2.gz WLFHNBQLDLQESU-QFIPXVFZSA-N 2 2 396.922 3.764 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000463165671 871061577 /nfs/dbraw/zinc/06/15/77/871061577.db2.gz XXVAXEDIEAIRBY-KRWDZBQOSA-N 2 2 392.528 3.828 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000525709133 871270077 /nfs/dbraw/zinc/27/00/77/871270077.db2.gz TXFUBBKXNCFKEW-GUYCJALGSA-N 2 2 391.357 3.824 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000525709133 871270098 /nfs/dbraw/zinc/27/00/98/871270098.db2.gz TXFUBBKXNCFKEW-GUYCJALGSA-N 2 2 391.357 3.824 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000463283769 871329231 /nfs/dbraw/zinc/32/92/31/871329231.db2.gz PYAZGHFUEKGEKR-KJXAQDMKSA-N 2 2 383.580 3.953 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000463283769 871329249 /nfs/dbraw/zinc/32/92/49/871329249.db2.gz PYAZGHFUEKGEKR-KJXAQDMKSA-N 2 2 383.580 3.953 20 0 GHADLP O[C@H](C(F)F)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000462113646 871636943 /nfs/dbraw/zinc/63/69/43/871636943.db2.gz TWUBULKLEGPBJL-YADHBBJMSA-N 2 2 388.502 3.520 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2cc(Cl)ccc2o1 ZINC000540594496 871652666 /nfs/dbraw/zinc/65/26/66/871652666.db2.gz WJHUEINYNGFVSH-WMLDXEAASA-N 2 2 377.916 3.680 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2cc(Cl)ccc2o1 ZINC000540594496 871652677 /nfs/dbraw/zinc/65/26/77/871652677.db2.gz WJHUEINYNGFVSH-WMLDXEAASA-N 2 2 377.916 3.680 20 0 GHADLP O=C(NC1CCCCC1)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168360202 871814321 /nfs/dbraw/zinc/81/43/21/871814321.db2.gz LIICANDVTQUVRW-QHCPKHFHSA-N 2 2 383.580 3.511 20 0 GHADLP O=C(c1ccccc1)N1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C1 ZINC001169735361 871831981 /nfs/dbraw/zinc/83/19/81/871831981.db2.gz IMCFPXWWZOKYEQ-RPWUZVMVSA-N 2 2 391.559 3.588 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1nc2ccc(Cl)cc2n1C ZINC000540757436 872069515 /nfs/dbraw/zinc/06/95/15/872069515.db2.gz UAEFSTGHZRUNHB-WMLDXEAASA-N 2 2 398.942 3.935 20 0 GHADLP Cc1ccc(N2CCC(C(=O)N[C@@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)CC2)[nH+]c1 ZINC000619029079 872244733 /nfs/dbraw/zinc/24/47/33/872244733.db2.gz ITFQOJDCXXGJKP-DENIHFKCSA-N 2 2 392.547 3.558 20 0 GHADLP Cc1ccc(N2CCC(C(=O)N[C@@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)CC2)[nH+]c1 ZINC000619029079 872244754 /nfs/dbraw/zinc/24/47/54/872244754.db2.gz ITFQOJDCXXGJKP-DENIHFKCSA-N 2 2 392.547 3.558 20 0 GHADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000552230720 872273989 /nfs/dbraw/zinc/27/39/89/872273989.db2.gz VIBMAPYCKCQMHW-MEMLXQNLSA-N 2 2 378.520 3.831 20 0 GHADLP CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@H]1C ZINC000463687057 872329686 /nfs/dbraw/zinc/32/96/86/872329686.db2.gz YEWNGNFUQBELPX-IAGOWNOFSA-N 2 2 381.524 3.833 20 0 GHADLP CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@H]1C ZINC000463687057 872329694 /nfs/dbraw/zinc/32/96/94/872329694.db2.gz YEWNGNFUQBELPX-IAGOWNOFSA-N 2 2 381.524 3.833 20 0 GHADLP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@@H]1C ZINC000463687058 872330575 /nfs/dbraw/zinc/33/05/75/872330575.db2.gz YEWNGNFUQBELPX-IRXDYDNUSA-N 2 2 381.524 3.833 20 0 GHADLP CC[N@H+]1C[C@H](C)N(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@@H]1C ZINC000463687058 872330596 /nfs/dbraw/zinc/33/05/96/872330596.db2.gz YEWNGNFUQBELPX-IRXDYDNUSA-N 2 2 381.524 3.833 20 0 GHADLP O=C(NCC[NH+]1CCCCCC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463686259 872331529 /nfs/dbraw/zinc/33/15/29/872331529.db2.gz OZXILKQFUNVIJV-UHFFFAOYSA-N 2 2 381.524 3.884 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000527002849 872404085 /nfs/dbraw/zinc/40/40/85/872404085.db2.gz BYWKAVUYKBQSCO-SXLOBPIMSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000527002849 872404097 /nfs/dbraw/zinc/40/40/97/872404097.db2.gz BYWKAVUYKBQSCO-SXLOBPIMSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000527002849 872404111 /nfs/dbraw/zinc/40/41/11/872404111.db2.gz BYWKAVUYKBQSCO-SXLOBPIMSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000527002849 872404120 /nfs/dbraw/zinc/40/41/20/872404120.db2.gz BYWKAVUYKBQSCO-SXLOBPIMSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)(C)[C@@H](NC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC001195534381 872473291 /nfs/dbraw/zinc/47/32/91/872473291.db2.gz CSVVHAJVLMYBTE-FQEVSTJZSA-N 2 2 386.565 3.559 20 0 GHADLP CC(C)(C)[C@@H](NC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC001195534381 872473296 /nfs/dbraw/zinc/47/32/96/872473296.db2.gz CSVVHAJVLMYBTE-FQEVSTJZSA-N 2 2 386.565 3.559 20 0 GHADLP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1OC(F)F ZINC000478272499 872763598 /nfs/dbraw/zinc/76/35/98/872763598.db2.gz LIKNVLFCZBVAPX-SMDDNHRTSA-N 2 2 377.273 3.931 20 0 GHADLP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1OC(F)F ZINC000478272499 872763606 /nfs/dbraw/zinc/76/36/06/872763606.db2.gz LIKNVLFCZBVAPX-SMDDNHRTSA-N 2 2 377.273 3.931 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768197038 873163920 /nfs/dbraw/zinc/16/39/20/873163920.db2.gz GIHBNSYGRMHRIT-QGZVFWFLSA-N 2 2 388.556 3.676 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000541248926 873237511 /nfs/dbraw/zinc/23/75/11/873237511.db2.gz HOINUWZDWNBUSA-MRXNPFEDSA-N 2 2 395.975 3.845 20 0 GHADLP O=C1C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CN1c1ccc(Cl)c(F)c1 ZINC000541379670 873479396 /nfs/dbraw/zinc/47/93/96/873479396.db2.gz AZFNQGZBDKWPLH-LBPRGKRZSA-N 2 2 390.871 3.621 20 0 GHADLP CC[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc(C)ccc1C ZINC000527727936 873503980 /nfs/dbraw/zinc/50/39/80/873503980.db2.gz SGNILOWIQIPMDM-QFIPXVFZSA-N 2 2 386.584 3.612 20 0 GHADLP c1ccc(N2CC[NH+](C[C@@H]3CCCN(c4[nH+]ccc5ccccc54)C3)CC2)nc1 ZINC000527868066 873696220 /nfs/dbraw/zinc/69/62/20/873696220.db2.gz KPAMQJOPFQWDCV-FQEVSTJZSA-N 2 2 387.531 3.668 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000527849342 873706799 /nfs/dbraw/zinc/70/67/99/873706799.db2.gz SQZOAKLVGQTEHZ-LJQANCHMSA-N 2 2 390.531 3.770 20 0 GHADLP Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000192086326 882754317 /nfs/dbraw/zinc/75/43/17/882754317.db2.gz SXVFXYDZOIVIRR-UHFFFAOYSA-N 2 2 388.515 3.884 20 0 GHADLP COCOc1ccc(OC)cc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000769148780 873847588 /nfs/dbraw/zinc/84/75/88/873847588.db2.gz RXMTUGLONFTUIR-OALUTQOASA-N 2 2 376.541 3.764 20 0 GHADLP COCOc1ccc(OC)cc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000769148780 873847596 /nfs/dbraw/zinc/84/75/96/873847596.db2.gz RXMTUGLONFTUIR-OALUTQOASA-N 2 2 376.541 3.764 20 0 GHADLP COCOc1ccc(OC)cc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000769148780 873847608 /nfs/dbraw/zinc/84/76/08/873847608.db2.gz RXMTUGLONFTUIR-OALUTQOASA-N 2 2 376.541 3.764 20 0 GHADLP COCOc1ccc(OC)cc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000769148780 873847620 /nfs/dbraw/zinc/84/76/20/873847620.db2.gz RXMTUGLONFTUIR-OALUTQOASA-N 2 2 376.541 3.764 20 0 GHADLP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000541571059 873884372 /nfs/dbraw/zinc/88/43/72/873884372.db2.gz MMPGPIQYBBLDNP-LADGPHEKSA-N 2 2 391.490 3.667 20 0 GHADLP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000541571059 873884390 /nfs/dbraw/zinc/88/43/90/873884390.db2.gz MMPGPIQYBBLDNP-LADGPHEKSA-N 2 2 391.490 3.667 20 0 GHADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(CSC(F)F)o3)CC2)CC1 ZINC000769537471 874142258 /nfs/dbraw/zinc/14/22/58/874142258.db2.gz KVVHSRNMFUEZBL-UHFFFAOYSA-N 2 2 387.540 3.726 20 0 GHADLP Cc1nc2sccc2c(NC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)n1 ZINC001198008546 874160116 /nfs/dbraw/zinc/16/01/16/874160116.db2.gz YEVZBAQBJOTQJK-UHFFFAOYSA-N 2 2 397.548 3.636 20 0 GHADLP Cc1nc2sccc2c(NC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)n1 ZINC001198008546 874160123 /nfs/dbraw/zinc/16/01/23/874160123.db2.gz YEVZBAQBJOTQJK-UHFFFAOYSA-N 2 2 397.548 3.636 20 0 GHADLP Cc1n[nH]c2cc(NC(=O)c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)ccc12 ZINC001198022241 874184234 /nfs/dbraw/zinc/18/42/34/874184234.db2.gz RIZRTKYGSFATFB-UHFFFAOYSA-N 2 2 379.508 3.507 20 0 GHADLP Cc1n[nH]c2cc(NC(=O)c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)ccc12 ZINC001198022241 874184238 /nfs/dbraw/zinc/18/42/38/874184238.db2.gz RIZRTKYGSFATFB-UHFFFAOYSA-N 2 2 379.508 3.507 20 0 GHADLP C[C@@H](N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H](c1ccccc1)[NH+](C)C ZINC000769988299 874388451 /nfs/dbraw/zinc/38/84/51/874388451.db2.gz KLCSKXKEILXUIA-QEFHDYNCSA-N 2 2 381.564 3.557 20 0 GHADLP C[C@@H](N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H](c1ccccc1)[NH+](C)C ZINC000769988299 874388468 /nfs/dbraw/zinc/38/84/68/874388468.db2.gz KLCSKXKEILXUIA-QEFHDYNCSA-N 2 2 381.564 3.557 20 0 GHADLP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cccc(O)c3Cl)CC2)CC1 ZINC000508877973 874426103 /nfs/dbraw/zinc/42/61/03/874426103.db2.gz HWUALGMFJSMRJS-UHFFFAOYSA-N 2 2 379.976 3.674 20 0 GHADLP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccc(O)c3Cl)CC2)CC1 ZINC000508877973 874426108 /nfs/dbraw/zinc/42/61/08/874426108.db2.gz HWUALGMFJSMRJS-UHFFFAOYSA-N 2 2 379.976 3.674 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(O)c1Cl ZINC000508877973 874426113 /nfs/dbraw/zinc/42/61/13/874426113.db2.gz HWUALGMFJSMRJS-UHFFFAOYSA-N 3 2 379.976 3.674 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(O)c1Cl ZINC000508877973 874426122 /nfs/dbraw/zinc/42/61/22/874426122.db2.gz HWUALGMFJSMRJS-UHFFFAOYSA-N 3 2 379.976 3.674 20 0 GHADLP Fc1c(Br)cccc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000449094070 874493704 /nfs/dbraw/zinc/49/37/04/874493704.db2.gz ZKYDBYQMRRGVFJ-UHFFFAOYSA-N 2 2 393.300 3.710 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccnc1C(F)(F)F ZINC000528397893 874515080 /nfs/dbraw/zinc/51/50/80/874515080.db2.gz SDXAZZNSHFQACW-UHFFFAOYSA-N 3 2 398.517 3.729 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccnc1C(F)(F)F ZINC000528397893 874515087 /nfs/dbraw/zinc/51/50/87/874515087.db2.gz SDXAZZNSHFQACW-UHFFFAOYSA-N 3 2 398.517 3.729 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2F)[C@@H](C)C1 ZINC000449136394 874520633 /nfs/dbraw/zinc/52/06/33/874520633.db2.gz AZYXNJZFRGLCPQ-YOEHRIQHSA-N 2 2 387.337 3.815 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2F)[C@@H](C)C1 ZINC000449136394 874520641 /nfs/dbraw/zinc/52/06/41/874520641.db2.gz AZYXNJZFRGLCPQ-YOEHRIQHSA-N 2 2 387.337 3.815 20 0 GHADLP COC(=O)c1oc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1C ZINC000475728474 882871556 /nfs/dbraw/zinc/87/15/56/882871556.db2.gz SPQKPOHJIFWRFA-QHCPKHFHSA-N 2 2 382.504 3.863 20 0 GHADLP COC(=O)c1oc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1C ZINC000475728474 882871573 /nfs/dbraw/zinc/87/15/73/882871573.db2.gz SPQKPOHJIFWRFA-QHCPKHFHSA-N 2 2 382.504 3.863 20 0 GHADLP COC(=O)c1oc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1C ZINC000475728474 882871592 /nfs/dbraw/zinc/87/15/92/882871592.db2.gz SPQKPOHJIFWRFA-QHCPKHFHSA-N 2 2 382.504 3.863 20 0 GHADLP COC(=O)c1oc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1C ZINC000475728474 882871609 /nfs/dbraw/zinc/87/16/09/882871609.db2.gz SPQKPOHJIFWRFA-QHCPKHFHSA-N 2 2 382.504 3.863 20 0 GHADLP CCc1ccc(-c2ccc(C[NH2+]CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)o2)cc1 ZINC000465004986 874903470 /nfs/dbraw/zinc/90/34/70/874903470.db2.gz XFNUXDLPOTVHGV-NRFANRHFSA-N 2 2 383.536 3.541 20 0 GHADLP CCc1ccc(-c2ccc(C[NH2+]CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)o2)cc1 ZINC000465004986 874903474 /nfs/dbraw/zinc/90/34/74/874903474.db2.gz XFNUXDLPOTVHGV-NRFANRHFSA-N 2 2 383.536 3.541 20 0 GHADLP COc1nc(Cl)c(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)n1C ZINC001199308909 874903709 /nfs/dbraw/zinc/90/37/09/874903709.db2.gz AWUJNNCXWAOQCT-HZPDHXFCSA-N 2 2 390.959 3.850 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C/C=C/c3ccc(Cl)cc3)C2)CC1 ZINC000449493656 874926876 /nfs/dbraw/zinc/92/68/76/874926876.db2.gz FHDDBKBKOPKFPU-XGLIRFAXSA-N 2 2 389.971 3.619 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C/C=C/c3ccc(Cl)cc3)C2)CC1 ZINC000449493656 874926885 /nfs/dbraw/zinc/92/68/85/874926885.db2.gz FHDDBKBKOPKFPU-XGLIRFAXSA-N 2 2 389.971 3.619 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C/C=C/c3ccc(Cl)cc3)C2)CC1 ZINC000449493656 874926892 /nfs/dbraw/zinc/92/68/92/874926892.db2.gz FHDDBKBKOPKFPU-XGLIRFAXSA-N 2 2 389.971 3.619 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C/C=C/c3ccc(Cl)cc3)C2)CC1 ZINC000449493656 874926901 /nfs/dbraw/zinc/92/69/01/874926901.db2.gz FHDDBKBKOPKFPU-XGLIRFAXSA-N 2 2 389.971 3.619 20 0 GHADLP CCSc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000449502888 874965686 /nfs/dbraw/zinc/96/56/86/874965686.db2.gz PDTZCWFBKJKDKG-OAQYLSRUSA-N 2 2 389.609 3.565 20 0 GHADLP CCSc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000449502888 874965690 /nfs/dbraw/zinc/96/56/90/874965690.db2.gz PDTZCWFBKJKDKG-OAQYLSRUSA-N 2 2 389.609 3.565 20 0 GHADLP CCSc1cccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000449502888 874965700 /nfs/dbraw/zinc/96/57/00/874965700.db2.gz PDTZCWFBKJKDKG-OAQYLSRUSA-N 2 2 389.609 3.565 20 0 GHADLP CCSc1cccc(C[NH+]2CCC[C@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000449502888 874965710 /nfs/dbraw/zinc/96/57/10/874965710.db2.gz PDTZCWFBKJKDKG-OAQYLSRUSA-N 2 2 389.609 3.565 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3cc4cc(C)c(C)cc4o3)C2)CC1 ZINC000449507849 874970706 /nfs/dbraw/zinc/97/07/06/874970706.db2.gz UKVFUDKIMGFRPH-OAQYLSRUSA-N 2 2 397.563 3.816 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3cc4cc(C)c(C)cc4o3)C2)CC1 ZINC000449507849 874970717 /nfs/dbraw/zinc/97/07/17/874970717.db2.gz UKVFUDKIMGFRPH-OAQYLSRUSA-N 2 2 397.563 3.816 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3cc4cc(C)c(C)cc4o3)C2)CC1 ZINC000449507849 874970721 /nfs/dbraw/zinc/97/07/21/874970721.db2.gz UKVFUDKIMGFRPH-OAQYLSRUSA-N 2 2 397.563 3.816 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3cc4cc(C)c(C)cc4o3)C2)CC1 ZINC000449507849 874970727 /nfs/dbraw/zinc/97/07/27/874970727.db2.gz UKVFUDKIMGFRPH-OAQYLSRUSA-N 2 2 397.563 3.816 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000542167741 875070113 /nfs/dbraw/zinc/07/01/13/875070113.db2.gz BZHVBEKQOQDXAB-JOCHJYFZSA-N 2 2 382.552 3.985 20 0 GHADLP CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475733122 882912502 /nfs/dbraw/zinc/91/25/02/882912502.db2.gz RWFYQFPZUJDBLF-ILBGXUMGSA-N 2 2 391.559 3.804 20 0 GHADLP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475733122 882912511 /nfs/dbraw/zinc/91/25/11/882912511.db2.gz RWFYQFPZUJDBLF-ILBGXUMGSA-N 2 2 391.559 3.804 20 0 GHADLP CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475733122 882912515 /nfs/dbraw/zinc/91/25/15/882912515.db2.gz RWFYQFPZUJDBLF-ILBGXUMGSA-N 2 2 391.559 3.804 20 0 GHADLP CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475733122 882912522 /nfs/dbraw/zinc/91/25/22/882912522.db2.gz RWFYQFPZUJDBLF-ILBGXUMGSA-N 2 2 391.559 3.804 20 0 GHADLP CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475733125 882912566 /nfs/dbraw/zinc/91/25/66/882912566.db2.gz RWFYQFPZUJDBLF-NOZRDPDXSA-N 2 2 391.559 3.804 20 0 GHADLP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475733125 882912575 /nfs/dbraw/zinc/91/25/75/882912575.db2.gz RWFYQFPZUJDBLF-NOZRDPDXSA-N 2 2 391.559 3.804 20 0 GHADLP CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475733125 882912583 /nfs/dbraw/zinc/91/25/83/882912583.db2.gz RWFYQFPZUJDBLF-NOZRDPDXSA-N 2 2 391.559 3.804 20 0 GHADLP CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475733125 882912592 /nfs/dbraw/zinc/91/25/92/882912592.db2.gz RWFYQFPZUJDBLF-NOZRDPDXSA-N 2 2 391.559 3.804 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@]3(C)COc4ccccc4O3)CC2)cc1 ZINC000858208462 882942075 /nfs/dbraw/zinc/94/20/75/882942075.db2.gz DUTVYASVSSPVDZ-HSZRJFAPSA-N 2 2 381.520 3.541 20 0 GHADLP C[NH+]1CCC(CNC(=O)C[C@H]2CCCc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000172750562 875898686 /nfs/dbraw/zinc/89/86/86/875898686.db2.gz VNTXURSXSAFIEA-OAQYLSRUSA-N 2 2 383.580 3.563 20 0 GHADLP Clc1cc(C[NH2+]C[C@@H]2CCCCN2C2CC2)ccc1OCCn1cc[nH+]c1 ZINC001202298439 876117661 /nfs/dbraw/zinc/11/76/61/876117661.db2.gz AIWWEDCQLLDZQJ-IBGZPJMESA-N 2 2 388.943 3.722 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCCN(C4CCCCC4)C3=O)CC2)cc1 ZINC000785568923 876132845 /nfs/dbraw/zinc/13/28/45/876132845.db2.gz SPKRRORHOCMYKU-HSZRJFAPSA-N 2 2 398.595 3.635 20 0 GHADLP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1Cl ZINC000173385486 876354666 /nfs/dbraw/zinc/35/46/66/876354666.db2.gz CCIOKHAPOXETHD-QGZVFWFLSA-N 2 2 392.975 3.651 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000492197634 876390207 /nfs/dbraw/zinc/39/02/07/876390207.db2.gz RTGWVZLFMVJSTP-ZEQRLZLVSA-N 2 2 387.527 3.859 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000492197634 876390221 /nfs/dbraw/zinc/39/02/21/876390221.db2.gz RTGWVZLFMVJSTP-ZEQRLZLVSA-N 2 2 387.527 3.859 20 0 GHADLP C[C@H]1CN(c2nccc3cc(C(F)(F)F)ccc32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000450416064 876399921 /nfs/dbraw/zinc/39/99/21/876399921.db2.gz GASCRKWGOPPCCB-HNNXBMFYSA-N 2 2 392.469 3.858 20 0 GHADLP C[C@H]1CN(c2nccc3cc(C(F)(F)F)ccc32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000450416064 876399939 /nfs/dbraw/zinc/39/99/39/876399939.db2.gz GASCRKWGOPPCCB-HNNXBMFYSA-N 2 2 392.469 3.858 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000192925554 883048737 /nfs/dbraw/zinc/04/87/37/883048737.db2.gz OZELFRAFBNSIOW-HSZRJFAPSA-N 3 2 395.566 3.944 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000192925554 883048753 /nfs/dbraw/zinc/04/87/53/883048753.db2.gz OZELFRAFBNSIOW-HSZRJFAPSA-N 3 2 395.566 3.944 20 0 GHADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000858367002 883051387 /nfs/dbraw/zinc/05/13/87/883051387.db2.gz HJUOCUICPNFSGO-ROUUACIJSA-N 2 2 387.549 3.622 20 0 GHADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000858367002 883051401 /nfs/dbraw/zinc/05/14/01/883051401.db2.gz HJUOCUICPNFSGO-ROUUACIJSA-N 2 2 387.549 3.622 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCCOC2)s1 ZINC000850359563 876848635 /nfs/dbraw/zinc/84/86/35/876848635.db2.gz KLSMYLJASZQBGR-IBGZPJMESA-N 2 2 379.957 3.740 20 0 GHADLP Cc1ccc(S[C@@H](C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460506788 883074980 /nfs/dbraw/zinc/07/49/80/883074980.db2.gz IGVGFUMYRBWKRQ-IBGZPJMESA-N 2 2 389.609 3.542 20 0 GHADLP CC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000123126895 883080516 /nfs/dbraw/zinc/08/05/16/883080516.db2.gz VSLHWEUGALTVTJ-AMDXRBSFSA-N 2 2 392.591 3.719 20 0 GHADLP CC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000123126895 883080527 /nfs/dbraw/zinc/08/05/27/883080527.db2.gz VSLHWEUGALTVTJ-AMDXRBSFSA-N 2 2 392.591 3.719 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)CCCn3cc[nH+]c3)cc2)C1 ZINC000137241593 877524662 /nfs/dbraw/zinc/52/46/62/877524662.db2.gz LCPLDEVFYPJJDW-BGYRXZFFSA-N 2 2 397.567 3.593 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)CCCn3cc[nH+]c3)cc2)C1 ZINC000137241593 877524675 /nfs/dbraw/zinc/52/46/75/877524675.db2.gz LCPLDEVFYPJJDW-BGYRXZFFSA-N 2 2 397.567 3.593 20 0 GHADLP C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1cccc(OCC[NH+](C)C)c1 ZINC000530366181 877637507 /nfs/dbraw/zinc/63/75/07/877637507.db2.gz ZKQQNYHKZYWOBF-QRVBRYPASA-N 2 2 398.551 3.809 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]21 ZINC000248624281 912285698 /nfs/dbraw/zinc/28/56/98/912285698.db2.gz UNVLEPCJSIJPAN-DFQSSKMNSA-N 2 2 382.508 3.607 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]21 ZINC000248624281 912285716 /nfs/dbraw/zinc/28/57/16/912285716.db2.gz UNVLEPCJSIJPAN-DFQSSKMNSA-N 2 2 382.508 3.607 20 0 GHADLP Cn1cc[nH+]c1N1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000492995929 877930670 /nfs/dbraw/zinc/93/06/70/877930670.db2.gz UISCLRWMUXHEDS-UHFFFAOYSA-N 2 2 387.940 3.536 20 0 GHADLP C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000176105946 878081716 /nfs/dbraw/zinc/08/17/16/878081716.db2.gz HOFWHVYELZGWIX-RBBKRZOGSA-N 2 2 398.595 3.524 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2ccc(Oc3ccccc3)o2)([NH+]2CCCCC2)CC1 ZINC000176494570 878283758 /nfs/dbraw/zinc/28/37/58/878283758.db2.gz NUXZGTRUZYAYHJ-UHFFFAOYSA-N 2 2 397.519 3.752 20 0 GHADLP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1nc2c(s1)CCCC2 ZINC000537882489 878453184 /nfs/dbraw/zinc/45/31/84/878453184.db2.gz HVEUNCKIUOCEAJ-DOTOQJQBSA-N 2 2 390.622 3.723 20 0 GHADLP Cc1cccc([C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C(C)(C)C)c1 ZINC000176856401 878453231 /nfs/dbraw/zinc/45/32/31/878453231.db2.gz CAFAUYXRWTTYRR-NRFANRHFSA-N 2 2 388.600 3.750 20 0 GHADLP Cc1cccc([C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C(C)(C)C)c1 ZINC000176856401 878453242 /nfs/dbraw/zinc/45/32/42/878453242.db2.gz CAFAUYXRWTTYRR-NRFANRHFSA-N 2 2 388.600 3.750 20 0 GHADLP Brc1ccccc1[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000852744544 878574733 /nfs/dbraw/zinc/57/47/33/878574733.db2.gz DOSDZVMMKKYFTQ-FQEVSTJZSA-N 2 2 387.321 3.668 20 0 GHADLP Brc1ccccc1[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000852744544 878574746 /nfs/dbraw/zinc/57/47/46/878574746.db2.gz DOSDZVMMKKYFTQ-FQEVSTJZSA-N 2 2 387.321 3.668 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177388242 878685635 /nfs/dbraw/zinc/68/56/35/878685635.db2.gz JJNQNJNSDPMGNV-SJORKVTESA-N 2 2 398.532 3.534 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000531077244 879064684 /nfs/dbraw/zinc/06/46/84/879064684.db2.gz RHOXOOLUGKIBDA-FQEVSTJZSA-N 2 2 397.910 3.628 20 0 GHADLP c1ccc(Oc2ccccc2C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000643075222 912447911 /nfs/dbraw/zinc/44/79/11/912447911.db2.gz NURVOHNHIAFPJQ-UHFFFAOYSA-N 2 2 389.503 3.553 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H](C)O1 ZINC000246410189 879534941 /nfs/dbraw/zinc/53/49/41/879534941.db2.gz GTSBEMLLWVAJTN-SBHAEUEKSA-N 2 2 399.579 3.889 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H](C)O1 ZINC000246410189 879534952 /nfs/dbraw/zinc/53/49/52/879534952.db2.gz GTSBEMLLWVAJTN-SBHAEUEKSA-N 2 2 399.579 3.889 20 0 GHADLP COc1cc(OC)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1Cl ZINC000246463332 879584092 /nfs/dbraw/zinc/58/40/92/879584092.db2.gz QALBYTCVVNTFDQ-GDIGMMSISA-N 2 2 396.959 3.776 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000854225194 879643789 /nfs/dbraw/zinc/64/37/89/879643789.db2.gz YRHLWWWHHICLLY-NPFVIJTESA-N 2 2 381.495 3.749 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538587430 879722994 /nfs/dbraw/zinc/72/29/94/879722994.db2.gz CTUCNGJXTQUINE-INIZCTEOSA-N 2 2 399.514 3.580 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247220236 879945607 /nfs/dbraw/zinc/94/56/07/879945607.db2.gz XPLOAFBRGXTPEM-SQGPQFPESA-N 2 2 377.960 3.856 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247220236 879945620 /nfs/dbraw/zinc/94/56/20/879945620.db2.gz XPLOAFBRGXTPEM-SQGPQFPESA-N 2 2 377.960 3.856 20 0 GHADLP C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C[NH+]1CCCCC1 ZINC000247311262 879967538 /nfs/dbraw/zinc/96/75/38/879967538.db2.gz FUUGHOSYAHSCLI-STZQEDGTSA-N 2 2 395.551 3.533 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1nnnn1-c1ccccc1 ZINC000247417093 879995054 /nfs/dbraw/zinc/99/50/54/879995054.db2.gz JUDGPWKSECASAC-RBUKOAKNSA-N 2 2 390.535 3.745 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1nnnn1-c1ccccc1 ZINC000247417093 879995068 /nfs/dbraw/zinc/99/50/68/879995068.db2.gz JUDGPWKSECASAC-RBUKOAKNSA-N 2 2 390.535 3.745 20 0 GHADLP CC[C@H]1CC[C@H](c2ccc(-c3noc([C@H](N)C[NH+]4CCC([NH3+])CC4)n3)cc2)CC1 ZINC001212314834 880030598 /nfs/dbraw/zinc/03/05/98/880030598.db2.gz KRVUYOHMNWOTBT-CBGDNZLLSA-N 2 2 397.567 3.843 20 0 GHADLP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182962116 880045491 /nfs/dbraw/zinc/04/54/91/880045491.db2.gz JDYIBRWHWQDQKZ-MRXNPFEDSA-N 2 2 390.553 3.684 20 0 GHADLP Fc1cccc(-c2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)o2)c1F ZINC000790961418 880103328 /nfs/dbraw/zinc/10/33/28/880103328.db2.gz AFLXQNOAYPLZFU-QGZVFWFLSA-N 2 2 376.447 3.958 20 0 GHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000531685167 880316777 /nfs/dbraw/zinc/31/67/77/880316777.db2.gz MERDWKODIQJGAV-NWDGAFQWSA-N 2 2 388.821 3.951 20 0 GHADLP c1c(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)[nH+]c2n1CCCC2 ZINC000453083165 880439440 /nfs/dbraw/zinc/43/94/40/880439440.db2.gz MXOTZRWAYDEFSF-VABKMULXSA-N 3 2 378.564 3.795 20 0 GHADLP c1c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)[nH+]c2n1CCCC2 ZINC000453083165 880439447 /nfs/dbraw/zinc/43/94/47/880439447.db2.gz MXOTZRWAYDEFSF-VABKMULXSA-N 3 2 378.564 3.795 20 0 GHADLP CCn1ccnc1[C@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000453125264 880503023 /nfs/dbraw/zinc/50/30/23/880503023.db2.gz OIAWYPKKQNABHX-HNNXBMFYSA-N 2 2 395.473 3.524 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000453270870 880713165 /nfs/dbraw/zinc/71/31/65/880713165.db2.gz RUMWFUSXVPHNSC-FOIQADDNSA-N 2 2 377.891 3.753 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000453270870 880713170 /nfs/dbraw/zinc/71/31/70/880713170.db2.gz RUMWFUSXVPHNSC-FOIQADDNSA-N 2 2 377.891 3.753 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000453304252 880768262 /nfs/dbraw/zinc/76/82/62/880768262.db2.gz ONPZKOFGNWKLQS-QPPBQGQZSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000453304252 880768270 /nfs/dbraw/zinc/76/82/70/880768270.db2.gz ONPZKOFGNWKLQS-QPPBQGQZSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000453304252 880768277 /nfs/dbraw/zinc/76/82/77/880768277.db2.gz ONPZKOFGNWKLQS-QPPBQGQZSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000453304252 880768284 /nfs/dbraw/zinc/76/82/84/880768284.db2.gz ONPZKOFGNWKLQS-QPPBQGQZSA-N 2 2 392.591 3.936 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 ZINC000429524792 880819147 /nfs/dbraw/zinc/81/91/47/880819147.db2.gz AZZYGEFDKJKWGP-LADGPHEKSA-N 2 2 391.559 3.577 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 ZINC000429524792 880819161 /nfs/dbraw/zinc/81/91/61/880819161.db2.gz AZZYGEFDKJKWGP-LADGPHEKSA-N 2 2 391.559 3.577 20 0 GHADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000531960885 880825139 /nfs/dbraw/zinc/82/51/39/880825139.db2.gz FPQNGMREMOGKGX-FDDCHVKYSA-N 2 2 395.547 3.932 20 0 GHADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000531960885 880825154 /nfs/dbraw/zinc/82/51/54/880825154.db2.gz FPQNGMREMOGKGX-FDDCHVKYSA-N 2 2 395.547 3.932 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)cn2c1 ZINC000186495821 880901502 /nfs/dbraw/zinc/90/15/02/880901502.db2.gz OMRLXOJIRUACLM-JTSKRJEESA-N 2 2 396.560 3.684 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000792259119 881022311 /nfs/dbraw/zinc/02/23/11/881022311.db2.gz JJFPRZLYYPFMOY-ZWKOTPCHSA-N 2 2 384.524 3.916 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000792259119 881022327 /nfs/dbraw/zinc/02/23/27/881022327.db2.gz JJFPRZLYYPFMOY-ZWKOTPCHSA-N 2 2 384.524 3.916 20 0 GHADLP Clc1cccc(N2CC[NH+](C3CC[NH+](C[C@H]4CCSC4)CC3)CC2)c1 ZINC000453578879 881083436 /nfs/dbraw/zinc/08/34/36/881083436.db2.gz VMFZVGGLXBFYMR-QGZVFWFLSA-N 2 2 380.001 3.680 20 0 GHADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)o1 ZINC001170196106 881231942 /nfs/dbraw/zinc/23/19/42/881231942.db2.gz YCOUGJDDZKTSSS-XIRDDKMYSA-N 2 2 394.313 3.698 20 0 GHADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)o1 ZINC001170196106 881231952 /nfs/dbraw/zinc/23/19/52/881231952.db2.gz YCOUGJDDZKTSSS-XIRDDKMYSA-N 2 2 394.313 3.698 20 0 GHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccnn1-c1ccccc1 ZINC000467350724 881339440 /nfs/dbraw/zinc/33/94/40/881339440.db2.gz TVTXORMOCVGLGM-SFHVURJKSA-N 2 2 390.535 3.971 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1NC(C)=O ZINC000181590458 883165836 /nfs/dbraw/zinc/16/58/36/883165836.db2.gz CZNQSHPYVDDTNY-IRXDYDNUSA-N 2 2 396.535 3.925 20 0 GHADLP COc1ccc([C@@H]([NH2+]CCc2c[nH]c3ccc(OC)cc23)[C@H]2CCC[NH2+]2)cc1 ZINC000643453890 912709464 /nfs/dbraw/zinc/70/94/64/912709464.db2.gz FPFSYCUBTFPOKN-DHIUTWEWSA-N 2 2 379.504 3.811 20 0 GHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c2ccccc21 ZINC000643466055 912715772 /nfs/dbraw/zinc/71/57/72/912715772.db2.gz ULFFNSDXECRCRJ-MORSLUCNSA-N 2 2 375.394 3.545 20 0 GHADLP C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000551242627 883533621 /nfs/dbraw/zinc/53/36/21/883533621.db2.gz UUIPGXPADYCSGT-DYESRHJHSA-N 2 2 396.510 3.531 20 0 GHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502615 912724688 /nfs/dbraw/zinc/72/46/88/912724688.db2.gz LPSZWXDAEKRUCA-YPMHNXCESA-N 2 2 377.838 3.808 20 0 GHADLP C[NH+](C)Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cc1 ZINC000551386080 883769570 /nfs/dbraw/zinc/76/95/70/883769570.db2.gz KCADKKYMFZCXRW-UHFFFAOYSA-N 2 2 398.532 3.625 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(OC(F)(F)F)c1 ZINC000556240377 884237767 /nfs/dbraw/zinc/23/77/67/884237767.db2.gz NTGCFFUIWLAHCF-DNVCBOLYSA-N 2 2 394.437 3.655 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(OC(F)(F)F)c1 ZINC000556240377 884237786 /nfs/dbraw/zinc/23/77/86/884237786.db2.gz NTGCFFUIWLAHCF-DNVCBOLYSA-N 2 2 394.437 3.655 20 0 GHADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000556409890 884809284 /nfs/dbraw/zinc/80/92/84/884809284.db2.gz HQIDNZUJUGLRHT-AWEZNQCLSA-N 2 2 375.519 3.578 20 0 GHADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498561523 884835632 /nfs/dbraw/zinc/83/56/32/884835632.db2.gz GCQZEIHMJQPXPN-PMACEKPBSA-N 2 2 382.527 3.816 20 0 GHADLP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498561523 884835652 /nfs/dbraw/zinc/83/56/52/884835652.db2.gz GCQZEIHMJQPXPN-PMACEKPBSA-N 2 2 382.527 3.816 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000666451803 885099907 /nfs/dbraw/zinc/09/99/07/885099907.db2.gz PGDNDVPYRZBUJY-QGZVFWFLSA-N 2 2 393.535 3.844 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000666451803 885099922 /nfs/dbraw/zinc/09/99/22/885099922.db2.gz PGDNDVPYRZBUJY-QGZVFWFLSA-N 2 2 393.535 3.844 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cc2ccc(S(C)(=O)=O)cc2)CC1)CC(C)C ZINC000556501720 885183032 /nfs/dbraw/zinc/18/30/32/885183032.db2.gz LMLOGUDHEQRHEO-UHFFFAOYSA-N 2 2 380.598 3.670 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cc2ccc(S(C)(=O)=O)cc2)CC1)CC(C)C ZINC000556501720 885183039 /nfs/dbraw/zinc/18/30/39/885183039.db2.gz LMLOGUDHEQRHEO-UHFFFAOYSA-N 2 2 380.598 3.670 20 0 GHADLP Cn1c[nH+]c(CCNC(=O)CCC[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC001183982235 912939985 /nfs/dbraw/zinc/93/99/85/912939985.db2.gz NIOJTYHCOZRXKP-UHFFFAOYSA-N 2 2 390.531 3.561 20 0 GHADLP O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc2c[nH+]cn2c1 ZINC000550650350 885701521 /nfs/dbraw/zinc/70/15/21/885701521.db2.gz DHZFCGXFYHHTMS-UHFFFAOYSA-N 2 2 389.484 3.601 20 0 GHADLP O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc2c[nH+]cn2c1 ZINC000550650350 885701533 /nfs/dbraw/zinc/70/15/33/885701533.db2.gz DHZFCGXFYHHTMS-UHFFFAOYSA-N 2 2 389.484 3.601 20 0 GHADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000171063744 885711548 /nfs/dbraw/zinc/71/15/48/885711548.db2.gz NBOLYQVHTHNZLG-UHFFFAOYSA-N 2 2 388.515 3.992 20 0 GHADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000171063744 885711560 /nfs/dbraw/zinc/71/15/60/885711560.db2.gz NBOLYQVHTHNZLG-UHFFFAOYSA-N 2 2 388.515 3.992 20 0 GHADLP CN(CCC[NH+]1CCCC1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000282110282 885744200 /nfs/dbraw/zinc/74/42/00/885744200.db2.gz ZYDYTXPEOLUDPU-UHFFFAOYSA-N 2 2 379.508 3.551 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000532515539 885910338 /nfs/dbraw/zinc/91/03/38/885910338.db2.gz DVVCJGVPSZOYQG-YOEHRIQHSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000532515539 885910353 /nfs/dbraw/zinc/91/03/53/885910353.db2.gz DVVCJGVPSZOYQG-YOEHRIQHSA-N 2 2 394.357 3.773 20 0 GHADLP CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000105597863 886017860 /nfs/dbraw/zinc/01/78/60/886017860.db2.gz OZDQVLUPYLFHAT-JBVUFVISSA-N 2 2 399.579 3.552 20 0 GHADLP C[N@H+](Cc1ccc(Br)c(Br)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216881 886073185 /nfs/dbraw/zinc/07/31/85/886073185.db2.gz LVMIMTBZTSMDAA-UONOGXRCSA-N 2 2 376.136 3.913 20 0 GHADLP C[N@@H+](Cc1ccc(Br)c(Br)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216881 886073208 /nfs/dbraw/zinc/07/32/08/886073208.db2.gz LVMIMTBZTSMDAA-UONOGXRCSA-N 2 2 376.136 3.913 20 0 GHADLP C[NH+]1CCC(C[NH2+][C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC001184078955 913010332 /nfs/dbraw/zinc/01/03/32/913010332.db2.gz WGOSVEXGDWKJFI-LOSJGSFVSA-N 3 2 377.576 3.976 20 0 GHADLP C[NH+]1CCC(C[NH2+][C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC001184078955 913010347 /nfs/dbraw/zinc/01/03/47/913010347.db2.gz WGOSVEXGDWKJFI-LOSJGSFVSA-N 3 2 377.576 3.976 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000119107484 886647617 /nfs/dbraw/zinc/64/76/17/886647617.db2.gz NQQDZLXQSFSJAB-GCJKJVERSA-N 2 2 379.504 3.958 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000119107484 886647648 /nfs/dbraw/zinc/64/76/48/886647648.db2.gz NQQDZLXQSFSJAB-GCJKJVERSA-N 2 2 379.504 3.958 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000556913191 886698799 /nfs/dbraw/zinc/69/87/99/886698799.db2.gz QXDZYGVPAOCZQV-XMSQKQJNSA-N 2 2 382.527 3.821 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000556913191 886698808 /nfs/dbraw/zinc/69/88/08/886698808.db2.gz QXDZYGVPAOCZQV-XMSQKQJNSA-N 2 2 382.527 3.821 20 0 GHADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000132218235 886741065 /nfs/dbraw/zinc/74/10/65/886741065.db2.gz IXFCBTCUEPGZIH-LJQANCHMSA-N 2 2 388.515 3.952 20 0 GHADLP COc1cc(OC)cc(N2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000532644601 886799243 /nfs/dbraw/zinc/79/92/43/886799243.db2.gz NKFAVDZYNSUZGW-UHFFFAOYSA-N 2 2 392.503 3.602 20 0 GHADLP COc1cc(OC)cc(N2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000532644601 886799252 /nfs/dbraw/zinc/79/92/52/886799252.db2.gz NKFAVDZYNSUZGW-UHFFFAOYSA-N 2 2 392.503 3.602 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@@H](c2ccccc2)OC1=O ZINC000863261710 886975406 /nfs/dbraw/zinc/97/54/06/886975406.db2.gz LZLGYKVJMJHTEY-NRFANRHFSA-N 2 2 394.519 3.771 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@@H](c2ccccc2)OC1=O ZINC000863261710 886975417 /nfs/dbraw/zinc/97/54/17/886975417.db2.gz LZLGYKVJMJHTEY-NRFANRHFSA-N 2 2 394.519 3.771 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001184251144 913100605 /nfs/dbraw/zinc/10/06/05/913100605.db2.gz LFRHCBUYSZKIRK-GUDVDZBRSA-N 2 2 379.589 3.876 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001184251144 913100614 /nfs/dbraw/zinc/10/06/14/913100614.db2.gz LFRHCBUYSZKIRK-GUDVDZBRSA-N 2 2 379.589 3.876 20 0 GHADLP C[C@@H]([NH2+][C@@H](c1nccn1C)c1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000128322949 887172359 /nfs/dbraw/zinc/17/23/59/887172359.db2.gz SIVVYOHCJTUDKM-VGOFRKELSA-N 2 2 396.510 3.940 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425146610 887193456 /nfs/dbraw/zinc/19/34/56/887193456.db2.gz PTZIUPDTVKNIIY-IZZBFERCSA-N 2 2 380.536 3.796 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425146610 887193463 /nfs/dbraw/zinc/19/34/63/887193463.db2.gz PTZIUPDTVKNIIY-IZZBFERCSA-N 2 2 380.536 3.796 20 0 GHADLP C[NH+](C)Cc1cnc(C[N@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)s1 ZINC000809551609 887568763 /nfs/dbraw/zinc/56/87/63/887568763.db2.gz BBNLBLCADQKGSC-UHFFFAOYSA-N 2 2 387.528 3.799 20 0 GHADLP C[NH+](C)Cc1cnc(C[N@@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)s1 ZINC000809551609 887568769 /nfs/dbraw/zinc/56/87/69/887568769.db2.gz BBNLBLCADQKGSC-UHFFFAOYSA-N 2 2 387.528 3.799 20 0 GHADLP C[C@H]1C[C@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000132365027 887647022 /nfs/dbraw/zinc/64/70/22/887647022.db2.gz QRTJJDBHRWATDD-SIKLNZKXSA-N 2 2 388.515 3.997 20 0 GHADLP C[C@H]1C[C@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000132365027 887647036 /nfs/dbraw/zinc/64/70/36/887647036.db2.gz QRTJJDBHRWATDD-SIKLNZKXSA-N 2 2 388.515 3.997 20 0 GHADLP CCCc1sc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1CC ZINC000050801088 887709431 /nfs/dbraw/zinc/70/94/31/887709431.db2.gz HASWTFJTUCORTA-UHFFFAOYSA-N 2 2 377.598 3.551 20 0 GHADLP Cc1c2cccc(Cl)c2oc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050800836 887710015 /nfs/dbraw/zinc/71/00/15/887710015.db2.gz JHPZKMJBJGPXCO-UHFFFAOYSA-N 2 2 389.927 3.683 20 0 GHADLP COCOc1ccc(OC)cc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000809703482 887719160 /nfs/dbraw/zinc/71/91/60/887719160.db2.gz KPRQBAIQKQXYEH-DEOSSOPVSA-N 2 2 396.531 3.776 20 0 GHADLP COCOc1ccc(OC)cc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000809703482 887719172 /nfs/dbraw/zinc/71/91/72/887719172.db2.gz KPRQBAIQKQXYEH-DEOSSOPVSA-N 2 2 396.531 3.776 20 0 GHADLP COCOc1ccc(OC)cc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000809703482 887719179 /nfs/dbraw/zinc/71/91/79/887719179.db2.gz KPRQBAIQKQXYEH-DEOSSOPVSA-N 2 2 396.531 3.776 20 0 GHADLP COCOc1ccc(OC)cc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000809703482 887719196 /nfs/dbraw/zinc/71/91/96/887719196.db2.gz KPRQBAIQKQXYEH-DEOSSOPVSA-N 2 2 396.531 3.776 20 0 GHADLP C[NH+](C)[C@H](CNc1nc(Cl)nc2c1C[NH2+]C2)c1ccc(Cl)cc1Cl ZINC001170585888 887725066 /nfs/dbraw/zinc/72/50/66/887725066.db2.gz PDASYEBAEGCXMP-CQSZACIVSA-N 2 2 386.714 3.755 20 0 GHADLP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@H]1Sc1ccccc1 ZINC000459372714 887794977 /nfs/dbraw/zinc/79/49/77/887794977.db2.gz JOPVFPVBRSOTGR-KCZVDYSFSA-N 2 2 383.561 3.978 20 0 GHADLP C[C@H](c1ccccc1F)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000193916830 887820098 /nfs/dbraw/zinc/82/00/98/887820098.db2.gz LIRVOXXLLCQDJJ-GOSISDBHSA-N 2 2 383.511 3.731 20 0 GHADLP C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000193916830 887820109 /nfs/dbraw/zinc/82/01/09/887820109.db2.gz LIRVOXXLLCQDJJ-GOSISDBHSA-N 2 2 383.511 3.731 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000648890359 888137434 /nfs/dbraw/zinc/13/74/34/888137434.db2.gz PHBRUBDQHCYERD-QGZVFWFLSA-N 2 2 399.926 3.976 20 0 GHADLP C[N@H+](Cc1ccccc1C[NH2+]Cc1cn(C[C@H]2CCCO2)nn1)C1CCCCC1 ZINC000865425501 888342783 /nfs/dbraw/zinc/34/27/83/888342783.db2.gz MZFCNPLJPZIFDM-HSZRJFAPSA-N 2 2 397.567 3.511 20 0 GHADLP C[N@@H+](Cc1ccccc1C[NH2+]Cc1cn(C[C@H]2CCCO2)nn1)C1CCCCC1 ZINC000865425501 888342793 /nfs/dbraw/zinc/34/27/93/888342793.db2.gz MZFCNPLJPZIFDM-HSZRJFAPSA-N 2 2 397.567 3.511 20 0 GHADLP Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000532720565 888701965 /nfs/dbraw/zinc/70/19/65/888701965.db2.gz JGQOMWCHNCAYFP-MRXNPFEDSA-N 2 2 390.447 3.803 20 0 GHADLP Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000532720565 888701976 /nfs/dbraw/zinc/70/19/76/888701976.db2.gz JGQOMWCHNCAYFP-MRXNPFEDSA-N 2 2 390.447 3.803 20 0 GHADLP O=C1CCC2(CC[NH+](Cc3sccc3Cl)CC2)CN1CCn1cc[nH+]c1 ZINC001275313809 913273842 /nfs/dbraw/zinc/27/38/42/913273842.db2.gz HIXRLWIVBKMJKU-UHFFFAOYSA-N 2 2 392.956 3.503 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c(C)c1 ZINC000810698848 888808442 /nfs/dbraw/zinc/80/84/42/888808442.db2.gz XNEHIFPGSCFQSK-KNQAVFIVSA-N 2 2 386.515 3.570 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)c(C)c1 ZINC000810698848 888808455 /nfs/dbraw/zinc/80/84/55/888808455.db2.gz XNEHIFPGSCFQSK-KNQAVFIVSA-N 2 2 386.515 3.570 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc4cc(OC)ccc4o3)cc2)CC1 ZINC000123354125 888839095 /nfs/dbraw/zinc/83/90/95/888839095.db2.gz HVRIHLPHJPHKER-UHFFFAOYSA-N 2 2 393.531 3.869 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](C)C1 ZINC000245657333 889176749 /nfs/dbraw/zinc/17/67/49/889176749.db2.gz DWKOSKTWIAFNMT-JRBASJLZSA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](C)C1 ZINC000245657333 889176754 /nfs/dbraw/zinc/17/67/54/889176754.db2.gz DWKOSKTWIAFNMT-JRBASJLZSA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000245657333 889176758 /nfs/dbraw/zinc/17/67/58/889176758.db2.gz DWKOSKTWIAFNMT-JRBASJLZSA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000245657333 889176761 /nfs/dbraw/zinc/17/67/61/889176761.db2.gz DWKOSKTWIAFNMT-JRBASJLZSA-N 3 2 399.623 3.909 20 0 GHADLP Cc1cc(C)c(-c2csc(NC(=O)C[N@H+](C)CCCn3cc[nH+]c3)n2)c(C)c1 ZINC000124363345 889606715 /nfs/dbraw/zinc/60/67/15/889606715.db2.gz CMTUYBHSMBSBER-UHFFFAOYSA-N 2 2 397.548 3.892 20 0 GHADLP Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+](C)CCCn3cc[nH+]c3)n2)c(C)c1 ZINC000124363345 889606726 /nfs/dbraw/zinc/60/67/26/889606726.db2.gz CMTUYBHSMBSBER-UHFFFAOYSA-N 2 2 397.548 3.892 20 0 GHADLP CCCc1ncc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124584397 889683780 /nfs/dbraw/zinc/68/37/80/889683780.db2.gz UEAOWZLMKPXYPW-QZTJIDSGSA-N 2 2 392.613 3.505 20 0 GHADLP CCCc1ncc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124584397 889683789 /nfs/dbraw/zinc/68/37/89/889683789.db2.gz UEAOWZLMKPXYPW-QZTJIDSGSA-N 2 2 392.613 3.505 20 0 GHADLP CC(C)c1nc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000124589413 889685920 /nfs/dbraw/zinc/68/59/20/889685920.db2.gz QMZYBQVJSBYDST-RTBURBONSA-N 2 2 392.613 3.676 20 0 GHADLP CC(C)c1nc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000124589413 889685926 /nfs/dbraw/zinc/68/59/26/889685926.db2.gz QMZYBQVJSBYDST-RTBURBONSA-N 2 2 392.613 3.676 20 0 GHADLP CN(C(=O)c1ccc2cc[nH]c2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124612374 889695095 /nfs/dbraw/zinc/69/50/95/889695095.db2.gz DBZYXGIGLIWVQP-VXKWHMMOSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1ccc2cc[nH]c2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124612374 889695102 /nfs/dbraw/zinc/69/51/02/889695102.db2.gz DBZYXGIGLIWVQP-VXKWHMMOSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1ccc2c(c1)CCC2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124693692 889726673 /nfs/dbraw/zinc/72/66/73/889726673.db2.gz RABLTSVDMWLDHL-GOTSBHOMSA-N 2 2 383.580 3.585 20 0 GHADLP CN(C(=O)c1ccc2c(c1)CCC2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124693692 889726679 /nfs/dbraw/zinc/72/66/79/889726679.db2.gz RABLTSVDMWLDHL-GOTSBHOMSA-N 2 2 383.580 3.585 20 0 GHADLP CC(C)c1ncc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124837555 889784873 /nfs/dbraw/zinc/78/48/73/889784873.db2.gz FRQCVCHQXKFSNB-QZTJIDSGSA-N 2 2 392.613 3.676 20 0 GHADLP CC(C)c1ncc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124837555 889784883 /nfs/dbraw/zinc/78/48/83/889784883.db2.gz FRQCVCHQXKFSNB-QZTJIDSGSA-N 2 2 392.613 3.676 20 0 GHADLP [NH3+]C1CCC(N(c2ccc(Cn3cc[nH+]c3)cn2)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001170644118 889969872 /nfs/dbraw/zinc/96/98/72/889969872.db2.gz BUTGJVSOBRZIDJ-ZSTXGWIISA-N 2 2 387.531 3.959 20 0 GHADLP Cc1cc(C)c(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c[nH+]1 ZINC000454932111 890011524 /nfs/dbraw/zinc/01/15/24/890011524.db2.gz WSQJCKOKBMZPQO-OAQYLSRUSA-N 2 2 380.536 3.798 20 0 GHADLP Cc1cc(C)c(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c[nH+]1 ZINC000454932111 890011540 /nfs/dbraw/zinc/01/15/40/890011540.db2.gz WSQJCKOKBMZPQO-OAQYLSRUSA-N 2 2 380.536 3.798 20 0 GHADLP COCCOc1cc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)cc[nH+]1 ZINC001170646523 890057768 /nfs/dbraw/zinc/05/77/68/890057768.db2.gz COMGDCIMOXHWPG-IJZHQTRZSA-N 2 2 381.520 3.739 20 0 GHADLP CC[NH+](CC)Cc1ccccc1Nc1cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c(C)n1 ZINC001211989091 890364737 /nfs/dbraw/zinc/36/47/37/890364737.db2.gz ITDDLRFETGJRST-IRXDYDNUSA-N 2 2 383.540 3.984 20 0 GHADLP CC[NH+](CC)Cc1ccccc1Nc1cc(N2C[C@H](C)O[C@@H](C)C2)nc(C)[nH+]1 ZINC001211989091 890364750 /nfs/dbraw/zinc/36/47/50/890364750.db2.gz ITDDLRFETGJRST-IRXDYDNUSA-N 2 2 383.540 3.984 20 0 GHADLP O=C(CC[NH2+][C@@H](c1ccccc1)C1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000533521205 890785901 /nfs/dbraw/zinc/78/59/01/890785901.db2.gz DYUHJCBJWFBRBU-DEOSSOPVSA-N 2 2 392.547 3.641 20 0 GHADLP COc1ccccc1[C@H](CNC(=O)Nc1c(C)cc(C)[nH+]c1C)[NH+]1CCCC1 ZINC000455462290 890982950 /nfs/dbraw/zinc/98/29/50/890982950.db2.gz BRWNZXHXUHZORU-IBGZPJMESA-N 2 2 382.508 3.974 20 0 GHADLP CC(C)[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1nc(C2CC2)no1 ZINC000812832866 891017134 /nfs/dbraw/zinc/01/71/34/891017134.db2.gz JXWGFDFTBGCIKF-HXUWFJFHSA-N 2 2 383.540 3.969 20 0 GHADLP Cc1cc(C)c(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)[nH+]1 ZINC000455494699 891019988 /nfs/dbraw/zinc/01/99/88/891019988.db2.gz FBPPTKSIZAPDDE-SFTDATJTSA-N 2 2 378.520 3.993 20 0 GHADLP Cc1cc(C)c(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)[nH+]1 ZINC000455494699 891019999 /nfs/dbraw/zinc/01/99/99/891019999.db2.gz FBPPTKSIZAPDDE-SFTDATJTSA-N 2 2 378.520 3.993 20 0 GHADLP CN1CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@@H]1c1ccccc1 ZINC000812841086 891030455 /nfs/dbraw/zinc/03/04/55/891030455.db2.gz MIPTWJDHFCDVFV-ZEQRLZLVSA-N 2 2 378.564 3.756 20 0 GHADLP CN(C(=O)c1cccc2c1ccn2C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533646517 891036515 /nfs/dbraw/zinc/03/65/15/891036515.db2.gz CTLUCWDFSYHHJJ-GOTSBHOMSA-N 2 2 396.579 3.588 20 0 GHADLP CN(C(=O)c1cccc2c1ccn2C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533646517 891036522 /nfs/dbraw/zinc/03/65/22/891036522.db2.gz CTLUCWDFSYHHJJ-GOTSBHOMSA-N 2 2 396.579 3.588 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)[C@@H]1C ZINC000533662954 891071767 /nfs/dbraw/zinc/07/17/67/891071767.db2.gz PLPDGSJNAQTJAE-OPNZPCBVSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)[C@@H]1C ZINC000533662954 891071782 /nfs/dbraw/zinc/07/17/82/891071782.db2.gz PLPDGSJNAQTJAE-OPNZPCBVSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@H]1C[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000533665487 891074838 /nfs/dbraw/zinc/07/48/38/891074838.db2.gz QTHYSLADPKJUDR-DMPNSMEDSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@H]1C[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000533665487 891074853 /nfs/dbraw/zinc/07/48/53/891074853.db2.gz QTHYSLADPKJUDR-DMPNSMEDSA-N 2 2 392.632 3.790 20 0 GHADLP Cc1ccsc1CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533672783 891110927 /nfs/dbraw/zinc/11/09/27/891110927.db2.gz UMYXVPGMUIDICK-RBUKOAKNSA-N 2 2 392.613 3.535 20 0 GHADLP Cc1ccsc1CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533672783 891110933 /nfs/dbraw/zinc/11/09/33/891110933.db2.gz UMYXVPGMUIDICK-RBUKOAKNSA-N 2 2 392.613 3.535 20 0 GHADLP COc1cccc(OC)c1Oc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cn1 ZINC000459387717 891176918 /nfs/dbraw/zinc/17/69/18/891176918.db2.gz JVYAEUVGGVENIU-UHFFFAOYSA-N 2 2 383.492 3.608 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c[nH+]1 ZINC000455556709 891208477 /nfs/dbraw/zinc/20/84/77/891208477.db2.gz KNRCTEMYLKSPER-UHFFFAOYSA-N 2 2 380.536 3.752 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c[nH+]1 ZINC000455556709 891208493 /nfs/dbraw/zinc/20/84/93/891208493.db2.gz KNRCTEMYLKSPER-UHFFFAOYSA-N 2 2 380.536 3.752 20 0 GHADLP Cc1cc(C)c(CNC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000455574228 891260928 /nfs/dbraw/zinc/26/09/28/891260928.db2.gz QPGQMJLQCHSAIZ-PZJWPPBQSA-N 2 2 380.536 3.798 20 0 GHADLP Cc1cc(C)c(CNC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000455574228 891260941 /nfs/dbraw/zinc/26/09/41/891260941.db2.gz QPGQMJLQCHSAIZ-PZJWPPBQSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000246959291 891326179 /nfs/dbraw/zinc/32/61/79/891326179.db2.gz IMYLWHZCCSECFX-DNVFCKCGSA-N 2 2 382.527 3.547 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000246959291 891326187 /nfs/dbraw/zinc/32/61/87/891326187.db2.gz IMYLWHZCCSECFX-DNVFCKCGSA-N 2 2 382.527 3.547 20 0 GHADLP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247003124 891329506 /nfs/dbraw/zinc/32/95/06/891329506.db2.gz KTBHLUIEDNFSSQ-MSYCTHLASA-N 2 2 394.563 3.610 20 0 GHADLP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247003124 891329521 /nfs/dbraw/zinc/32/95/21/891329521.db2.gz KTBHLUIEDNFSSQ-MSYCTHLASA-N 2 2 394.563 3.610 20 0 GHADLP COc1ccc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1OC ZINC000247029225 891334926 /nfs/dbraw/zinc/33/49/26/891334926.db2.gz MCMLUYPJKIXRSQ-WIYYLYMNSA-N 2 2 383.536 3.532 20 0 GHADLP COc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1OC ZINC000247029225 891334941 /nfs/dbraw/zinc/33/49/41/891334941.db2.gz MCMLUYPJKIXRSQ-WIYYLYMNSA-N 2 2 383.536 3.532 20 0 GHADLP C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1cccs1 ZINC000247435548 891375898 /nfs/dbraw/zinc/37/58/98/891375898.db2.gz PAJKUSRMYGHADR-XLIONFOSSA-N 2 2 380.517 3.747 20 0 GHADLP C[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1cccs1 ZINC000247435548 891375912 /nfs/dbraw/zinc/37/59/12/891375912.db2.gz PAJKUSRMYGHADR-XLIONFOSSA-N 2 2 380.517 3.747 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000248141096 891412207 /nfs/dbraw/zinc/41/22/07/891412207.db2.gz PRCVIAWGDWYKCZ-JSNMRZPZSA-N 2 2 394.346 3.922 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000248141096 891412219 /nfs/dbraw/zinc/41/22/19/891412219.db2.gz PRCVIAWGDWYKCZ-JSNMRZPZSA-N 2 2 394.346 3.922 20 0 GHADLP CCc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124699805 891851768 /nfs/dbraw/zinc/85/17/68/891851768.db2.gz NRIHDGWXHIYSDK-MOPGFXCFSA-N 2 2 377.598 3.720 20 0 GHADLP CCc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124699805 891851786 /nfs/dbraw/zinc/85/17/86/891851786.db2.gz NRIHDGWXHIYSDK-MOPGFXCFSA-N 2 2 377.598 3.720 20 0 GHADLP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001137084687 892408229 /nfs/dbraw/zinc/40/82/29/892408229.db2.gz ALWHJZUHIIDFIS-FCHUYYIVSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001137084687 892408238 /nfs/dbraw/zinc/40/82/38/892408238.db2.gz ALWHJZUHIIDFIS-FCHUYYIVSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001137084687 892408247 /nfs/dbraw/zinc/40/82/47/892408247.db2.gz ALWHJZUHIIDFIS-FCHUYYIVSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001137084687 892408252 /nfs/dbraw/zinc/40/82/52/892408252.db2.gz ALWHJZUHIIDFIS-FCHUYYIVSA-N 2 2 387.543 3.561 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000288351193 913739937 /nfs/dbraw/zinc/73/99/37/913739937.db2.gz ZIGLQMPSOPLXNJ-GHTZIAJQSA-N 2 2 385.556 3.559 20 0 GHADLP Cc1nsc(N2CCC[NH+](CC(C)(C)C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000536667254 893487435 /nfs/dbraw/zinc/48/74/35/893487435.db2.gz USKJCMKXAVMMCY-UHFFFAOYSA-N 2 2 387.597 3.517 20 0 GHADLP Cc1nsc(N2CCC[NH+](CC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000536667254 893487439 /nfs/dbraw/zinc/48/74/39/893487439.db2.gz USKJCMKXAVMMCY-UHFFFAOYSA-N 2 2 387.597 3.517 20 0 GHADLP Cc1nsc(N2CCC[N@@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)CC2)n1 ZINC000536667254 893487442 /nfs/dbraw/zinc/48/74/42/893487442.db2.gz USKJCMKXAVMMCY-UHFFFAOYSA-N 2 2 387.597 3.517 20 0 GHADLP Cc1nsc(N2CCC[N@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)CC2)n1 ZINC000536667254 893487445 /nfs/dbraw/zinc/48/74/45/893487445.db2.gz USKJCMKXAVMMCY-UHFFFAOYSA-N 2 2 387.597 3.517 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000877115609 893492604 /nfs/dbraw/zinc/49/26/04/893492604.db2.gz QKQDVNUYIJTUNH-KRWDZBQOSA-N 2 2 390.572 3.748 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000444794244 893537088 /nfs/dbraw/zinc/53/70/88/893537088.db2.gz RIDDKKMWAXAXTM-FGZHOGPDSA-N 2 2 388.515 3.657 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000444794244 893537106 /nfs/dbraw/zinc/53/71/06/893537106.db2.gz RIDDKKMWAXAXTM-FGZHOGPDSA-N 2 2 388.515 3.657 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000444799994 893581982 /nfs/dbraw/zinc/58/19/82/893581982.db2.gz IPAFDEVXDNSDRE-UWJYYQICSA-N 2 2 376.504 3.630 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000444799994 893581998 /nfs/dbraw/zinc/58/19/98/893581998.db2.gz IPAFDEVXDNSDRE-UWJYYQICSA-N 2 2 376.504 3.630 20 0 GHADLP [NH3+][C@H](C[C@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1)C1CCCC1 ZINC000877448084 893611267 /nfs/dbraw/zinc/61/12/67/893611267.db2.gz CUDTZSRIOYMRQV-DENIHFKCSA-N 2 2 380.536 3.691 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cc2ccccc2o1 ZINC000129560980 893625129 /nfs/dbraw/zinc/62/51/29/893625129.db2.gz LGURQCICWICBRI-DFEOGRTESA-N 2 2 380.492 3.778 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cc2ccccc2o1 ZINC000129560980 893625134 /nfs/dbraw/zinc/62/51/34/893625134.db2.gz LGURQCICWICBRI-DFEOGRTESA-N 2 2 380.492 3.778 20 0 GHADLP CC1CC[NH+](CCc2cccc(NC(=O)NCCCNc3cccc[nH+]3)c2)CC1 ZINC000536720781 893657834 /nfs/dbraw/zinc/65/78/34/893657834.db2.gz GSXLGAGWGWCTBO-UHFFFAOYSA-N 2 2 395.551 3.980 20 0 GHADLP CC(C)N1C(=O)C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000459492172 893662642 /nfs/dbraw/zinc/66/26/42/893662642.db2.gz YETDPSZSFXETAQ-CTNGQTDRSA-N 2 2 393.934 3.746 20 0 GHADLP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2cccc(C(C)=O)c2)CC1)CC1CC1 ZINC000536738658 893701109 /nfs/dbraw/zinc/70/11/09/893701109.db2.gz GUEAFYPGTQRAAA-UHFFFAOYSA-N 2 2 385.552 3.662 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2cccc(C(C)=O)c2)CC1)CC1CC1 ZINC000536738658 893701116 /nfs/dbraw/zinc/70/11/16/893701116.db2.gz GUEAFYPGTQRAAA-UHFFFAOYSA-N 2 2 385.552 3.662 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)C[C@@H]1c1ccccc1 ZINC000556119559 893833378 /nfs/dbraw/zinc/83/33/78/893833378.db2.gz AGMWTRVHEGTSDQ-WAOWUJCRSA-N 2 2 383.923 3.870 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)C[C@@H]1c1ccccc1 ZINC000556119559 893833386 /nfs/dbraw/zinc/83/33/86/893833386.db2.gz AGMWTRVHEGTSDQ-WAOWUJCRSA-N 2 2 383.923 3.870 20 0 GHADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1csc(-c2cccs2)n1 ZINC000288608501 913818727 /nfs/dbraw/zinc/81/87/27/913818727.db2.gz QKVFMKLTSJNSDO-UHFFFAOYSA-N 2 2 388.562 3.887 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)CC2)cc1 ZINC000556158919 894002834 /nfs/dbraw/zinc/00/28/34/894002834.db2.gz UDYWZCNECHJBFB-YZUZCNPQSA-N 2 2 399.579 3.794 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000288790029 913879290 /nfs/dbraw/zinc/87/92/90/913879290.db2.gz YQZUMNIMWCCWOS-VQIMIIECSA-N 2 2 392.906 3.865 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000288790029 913879303 /nfs/dbraw/zinc/87/93/03/913879303.db2.gz YQZUMNIMWCCWOS-VQIMIIECSA-N 2 2 392.906 3.865 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](C)C[C@@H]3CC=CCC3)n2)CC1 ZINC000564154239 894657592 /nfs/dbraw/zinc/65/75/92/894657592.db2.gz YPJDVQIFOLFATM-QGZVFWFLSA-N 2 2 376.570 3.602 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](C)C[C@@H]3CC=CCC3)n2)CC1 ZINC000564154239 894657602 /nfs/dbraw/zinc/65/76/02/894657602.db2.gz YPJDVQIFOLFATM-QGZVFWFLSA-N 2 2 376.570 3.602 20 0 GHADLP C[N@H+](CCC[NH2+]Cc1cn2ccc(Br)cc2n1)C1CCCCC1 ZINC000564617087 895126067 /nfs/dbraw/zinc/12/60/67/895126067.db2.gz YPQONYGSDYJYHX-UHFFFAOYSA-N 2 2 379.346 3.841 20 0 GHADLP C[N@@H+](CCC[NH2+]Cc1cn2ccc(Br)cc2n1)C1CCCCC1 ZINC000564617087 895126072 /nfs/dbraw/zinc/12/60/72/895126072.db2.gz YPQONYGSDYJYHX-UHFFFAOYSA-N 2 2 379.346 3.841 20 0 GHADLP C[NH+]1CCN(C2CC[NH+](Cc3nc(-c4ccccc4Cl)cs3)CC2)CC1 ZINC000879595810 895159584 /nfs/dbraw/zinc/15/95/84/895159584.db2.gz FJAFKWSVILCAQG-UHFFFAOYSA-N 2 2 390.984 3.675 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)Nc2ccn3cc[nH+]c3c2)C[N@@H+]1Cc1ccccc1 ZINC000564690194 895184539 /nfs/dbraw/zinc/18/45/39/895184539.db2.gz QBIZRDFVLYKLKU-IEBWSBKVSA-N 2 2 377.492 3.757 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)Nc2ccn3cc[nH+]c3c2)C[N@H+]1Cc1ccccc1 ZINC000564690194 895184543 /nfs/dbraw/zinc/18/45/43/895184543.db2.gz QBIZRDFVLYKLKU-IEBWSBKVSA-N 2 2 377.492 3.757 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)nnn1-c1ccccc1 ZINC000564828031 895268457 /nfs/dbraw/zinc/26/84/57/895268457.db2.gz NKSSKZGGCDBCAS-GTCCEBARSA-N 2 2 393.510 3.759 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NCCc3ccccc3)C2)s1 ZINC000565049899 895369637 /nfs/dbraw/zinc/36/96/37/895369637.db2.gz UGDJKKRSIGHQKQ-FPOVZHCZSA-N 2 2 399.604 3.558 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)NCCc3ccccc3)C2)s1 ZINC000565049899 895369653 /nfs/dbraw/zinc/36/96/53/895369653.db2.gz UGDJKKRSIGHQKQ-FPOVZHCZSA-N 2 2 399.604 3.558 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NCCc3ccccc3)C2)s1 ZINC000565049899 895369665 /nfs/dbraw/zinc/36/96/65/895369665.db2.gz UGDJKKRSIGHQKQ-FPOVZHCZSA-N 2 2 399.604 3.558 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NCCc3ccccc3)C2)s1 ZINC000565049899 895369671 /nfs/dbraw/zinc/36/96/71/895369671.db2.gz UGDJKKRSIGHQKQ-FPOVZHCZSA-N 2 2 399.604 3.558 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261074 895597621 /nfs/dbraw/zinc/59/76/21/895597621.db2.gz HQSNGCQTPNSZMQ-LSDHHAIUSA-N 2 2 392.425 3.638 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261074 895597634 /nfs/dbraw/zinc/59/76/34/895597634.db2.gz HQSNGCQTPNSZMQ-LSDHHAIUSA-N 2 2 392.425 3.638 20 0 GHADLP CC[N@H+](CCCNC(=O)OC(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000774905257 913996100 /nfs/dbraw/zinc/99/61/00/913996100.db2.gz ZANSVXUJYWGLLT-UHFFFAOYSA-N 2 2 376.545 3.535 20 0 GHADLP CC[N@@H+](CCCNC(=O)OC(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000774905257 913996111 /nfs/dbraw/zinc/99/61/11/913996111.db2.gz ZANSVXUJYWGLLT-UHFFFAOYSA-N 2 2 376.545 3.535 20 0 GHADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571055 895751903 /nfs/dbraw/zinc/75/19/03/895751903.db2.gz NAFOLMSRXSQOAV-HRAATJIYSA-N 2 2 398.457 3.712 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+](C)Cc1ccccc1)c1ccccc1Cl ZINC001136034191 895934947 /nfs/dbraw/zinc/93/49/47/895934947.db2.gz RRQLJTJCQRPHDM-NRFANRHFSA-N 2 2 387.955 3.971 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)c1ccccc1Cl ZINC001136034191 895934956 /nfs/dbraw/zinc/93/49/56/895934956.db2.gz RRQLJTJCQRPHDM-NRFANRHFSA-N 2 2 387.955 3.971 20 0 GHADLP O=c1nc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)[nH]c2sc(-c3ccccc3)cc21 ZINC000566242891 896195252 /nfs/dbraw/zinc/19/52/52/896195252.db2.gz NPEVLZDVFSBCFY-KRWDZBQOSA-N 2 2 394.544 3.885 20 0 GHADLP CC(C)[NH2+]C1(CO)CC[NH+](CCOc2ccc(Oc3ccccc3)cc2)CC1 ZINC000566422507 896303307 /nfs/dbraw/zinc/30/33/07/896303307.db2.gz AFDQJQSCUQYGPM-UHFFFAOYSA-N 2 2 384.520 3.683 20 0 GHADLP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000566915376 896692449 /nfs/dbraw/zinc/69/24/49/896692449.db2.gz XJAOWCYBQOTHKH-HKBOAZHASA-N 2 2 387.474 3.613 20 0 GHADLP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000566915376 896692456 /nfs/dbraw/zinc/69/24/56/896692456.db2.gz XJAOWCYBQOTHKH-HKBOAZHASA-N 2 2 387.474 3.613 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129682039 896825957 /nfs/dbraw/zinc/82/59/57/896825957.db2.gz GKQXIXGAGXVLSP-UGKGYDQZSA-N 2 2 395.551 3.785 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129682039 896825968 /nfs/dbraw/zinc/82/59/68/896825968.db2.gz GKQXIXGAGXVLSP-UGKGYDQZSA-N 2 2 395.551 3.785 20 0 GHADLP O=C(Cn1cc[nH+]c1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000567462351 897180217 /nfs/dbraw/zinc/18/02/17/897180217.db2.gz MJBYKKZXKDRPPY-JOCHJYFZSA-N 2 2 380.536 3.567 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@H]3CCc4cccc(Cl)c4C3)CC2)C1 ZINC001170945371 897262208 /nfs/dbraw/zinc/26/22/08/897262208.db2.gz WOCRKXJBCFOPIG-HKUYNNGSSA-N 2 2 390.955 3.547 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H]3CCc4cccc(Cl)c4C3)CC2)C1 ZINC001170945371 897262223 /nfs/dbraw/zinc/26/22/23/897262223.db2.gz WOCRKXJBCFOPIG-HKUYNNGSSA-N 2 2 390.955 3.547 20 0 GHADLP CC(C)(C)OC(=O)NC(C)(C)CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000883274701 897427059 /nfs/dbraw/zinc/42/70/59/897427059.db2.gz RWGMKYWIFCZOGL-UHFFFAOYSA-N 2 2 381.483 3.686 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC000883279134 897436445 /nfs/dbraw/zinc/43/64/45/897436445.db2.gz JRBHKCYHQVRSPS-MJGOQNOKSA-N 2 2 390.572 3.575 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC000883279134 897436451 /nfs/dbraw/zinc/43/64/51/897436451.db2.gz JRBHKCYHQVRSPS-MJGOQNOKSA-N 2 2 390.572 3.575 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386147 897548314 /nfs/dbraw/zinc/54/83/14/897548314.db2.gz AIGNPWHTLVUNMW-IIBYNOLFSA-N 2 2 378.476 3.942 20 0 GHADLP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388402 897552356 /nfs/dbraw/zinc/55/23/56/897552356.db2.gz UOYWNZGGNPISFJ-PXNSSMCTSA-N 2 2 379.460 3.527 20 0 GHADLP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000568631042 897994384 /nfs/dbraw/zinc/99/43/84/897994384.db2.gz YVGJTCNULQOSTI-GOSISDBHSA-N 2 2 393.531 3.566 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000568751028 898080230 /nfs/dbraw/zinc/08/02/30/898080230.db2.gz UTMFSKHSHKTMEO-INIZCTEOSA-N 2 2 386.927 3.879 20 0 GHADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000105083915 898185903 /nfs/dbraw/zinc/18/59/03/898185903.db2.gz HPPMOMCXGWJAPV-GOSISDBHSA-N 2 2 382.552 3.568 20 0 GHADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000105083915 898185907 /nfs/dbraw/zinc/18/59/07/898185907.db2.gz HPPMOMCXGWJAPV-GOSISDBHSA-N 2 2 382.552 3.568 20 0 GHADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CN1C(=O)OC(C)(C)C ZINC000822450557 898380315 /nfs/dbraw/zinc/38/03/15/898380315.db2.gz ABOVUYFJXMWNRT-FXAWDEMLSA-N 2 2 384.524 3.809 20 0 GHADLP CCCC1(C[NH2+][C@H]2CCn3cc[nH+]c3C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000822469646 898392619 /nfs/dbraw/zinc/39/26/19/898392619.db2.gz BUUZFAPOXXBJKS-KRWDZBQOSA-N 2 2 376.545 3.605 20 0 GHADLP O=C1CCN1c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000569220850 898441670 /nfs/dbraw/zinc/44/16/70/898441670.db2.gz FNADZWPBHLXHDU-NRFANRHFSA-N 2 2 375.516 3.710 20 0 GHADLP O=C1CCN1c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000569220850 898441676 /nfs/dbraw/zinc/44/16/76/898441676.db2.gz FNADZWPBHLXHDU-NRFANRHFSA-N 2 2 375.516 3.710 20 0 GHADLP CC1CC[NH+]([C@H](CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)c2cccs2)CC1 ZINC000570326760 899264875 /nfs/dbraw/zinc/26/48/75/899264875.db2.gz FVJXXZSDLZHXTL-VQIMIIECSA-N 2 2 393.503 3.616 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)c1ccccc1 ZINC000823944269 899326307 /nfs/dbraw/zinc/32/63/07/899326307.db2.gz VBXADEJRMMROMB-YDHSSHFGSA-N 2 2 396.535 3.551 20 0 GHADLP Cc1ccn2c(C[NH+]3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)cnc2c1 ZINC001136889480 899649667 /nfs/dbraw/zinc/64/96/67/899649667.db2.gz YYEJZHGXHNBHGW-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccn2c(C[NH+]3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)cnc2c1 ZINC001136889480 899649672 /nfs/dbraw/zinc/64/96/72/899649672.db2.gz YYEJZHGXHNBHGW-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccn2c(C[N@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@H]4C3)cnc2c1 ZINC001136889480 899649677 /nfs/dbraw/zinc/64/96/77/899649677.db2.gz YYEJZHGXHNBHGW-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccn2c(C[N@@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@H]4C3)cnc2c1 ZINC001136889480 899649683 /nfs/dbraw/zinc/64/96/83/899649683.db2.gz YYEJZHGXHNBHGW-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccn2c(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)cnc2c1 ZINC001136889481 899650081 /nfs/dbraw/zinc/65/00/81/899650081.db2.gz YYEJZHGXHNBHGW-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccn2c(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)cnc2c1 ZINC001136889481 899650088 /nfs/dbraw/zinc/65/00/88/899650088.db2.gz YYEJZHGXHNBHGW-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccn2c(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)cnc2c1 ZINC001136889481 899650092 /nfs/dbraw/zinc/65/00/92/899650092.db2.gz YYEJZHGXHNBHGW-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccn2c(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)cnc2c1 ZINC001136889481 899650100 /nfs/dbraw/zinc/65/01/00/899650100.db2.gz YYEJZHGXHNBHGW-WWPVKYPJSA-N 2 2 389.547 3.770 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccc(Cl)c1 ZINC000824545852 899702580 /nfs/dbraw/zinc/70/25/80/899702580.db2.gz DYFNZJMYPHMUMV-HNNXBMFYSA-N 2 2 396.926 3.835 20 0 GHADLP COC(=O)CCc1c(C)[nH]c(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC001136913236 899737157 /nfs/dbraw/zinc/73/71/57/899737157.db2.gz FZQIISVCPWEVDO-UHFFFAOYSA-N 2 2 397.563 3.834 20 0 GHADLP COC(=O)CCc1c(C)[nH]c(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC001136913236 899737169 /nfs/dbraw/zinc/73/71/69/899737169.db2.gz FZQIISVCPWEVDO-UHFFFAOYSA-N 2 2 397.563 3.834 20 0 GHADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824875581 899879217 /nfs/dbraw/zinc/87/92/17/899879217.db2.gz NDQMDFFZYBMGLU-OXQOHEQNSA-N 2 2 382.556 3.636 20 0 GHADLP [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171072503 899911608 /nfs/dbraw/zinc/91/16/08/899911608.db2.gz JRRFSKCMSJFYOV-YYWHXJBOSA-N 2 2 390.358 3.652 20 0 GHADLP Cc1c(F)cc(F)cc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001143760635 900509537 /nfs/dbraw/zinc/50/95/37/900509537.db2.gz BGDKWOZBYCOAFC-UHFFFAOYSA-N 2 2 376.447 3.733 20 0 GHADLP Cc1c(F)cc(F)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001143760635 900509547 /nfs/dbraw/zinc/50/95/47/900509547.db2.gz BGDKWOZBYCOAFC-UHFFFAOYSA-N 2 2 376.447 3.733 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H](O)c3c(F)cccc3F)C2)s1 ZINC000844330266 900703568 /nfs/dbraw/zinc/70/35/68/900703568.db2.gz VYRUXNBUHRLFFE-BEFAXECRSA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H](O)c3c(F)cccc3F)C2)s1 ZINC000844330266 900703581 /nfs/dbraw/zinc/70/35/81/900703581.db2.gz VYRUXNBUHRLFFE-BEFAXECRSA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](O)c3c(F)cccc3F)C2)s1 ZINC000844330266 900703596 /nfs/dbraw/zinc/70/35/96/900703596.db2.gz VYRUXNBUHRLFFE-BEFAXECRSA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](O)c3c(F)cccc3F)C2)s1 ZINC000844330266 900703605 /nfs/dbraw/zinc/70/36/05/900703605.db2.gz VYRUXNBUHRLFFE-BEFAXECRSA-N 2 2 380.504 3.822 20 0 GHADLP COc1ccc(Cl)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001143894348 900723551 /nfs/dbraw/zinc/72/35/51/900723551.db2.gz SGGMDWBKZGOIBS-SJORKVTESA-N 2 2 389.902 3.837 20 0 GHADLP COc1ccc(Cl)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001143894348 900723564 /nfs/dbraw/zinc/72/35/64/900723564.db2.gz SGGMDWBKZGOIBS-SJORKVTESA-N 2 2 389.902 3.837 20 0 GHADLP COc1ccc(Cl)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001143894348 900723579 /nfs/dbraw/zinc/72/35/79/900723579.db2.gz SGGMDWBKZGOIBS-SJORKVTESA-N 2 2 389.902 3.837 20 0 GHADLP COc1ccc(Cl)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001143894348 900723588 /nfs/dbraw/zinc/72/35/88/900723588.db2.gz SGGMDWBKZGOIBS-SJORKVTESA-N 2 2 389.902 3.837 20 0 GHADLP CC(C)(C)[N@@H+]1CCCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000574017181 900740264 /nfs/dbraw/zinc/74/02/64/900740264.db2.gz QLZUOWRLLVIGSH-UHFFFAOYSA-N 2 2 389.931 3.542 20 0 GHADLP CC(C)(C)[N@H+]1CCCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000574017181 900740278 /nfs/dbraw/zinc/74/02/78/900740278.db2.gz QLZUOWRLLVIGSH-UHFFFAOYSA-N 2 2 389.931 3.542 20 0 GHADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000067065178 901036169 /nfs/dbraw/zinc/03/61/69/901036169.db2.gz KDRLXUHGITYPMM-UHFFFAOYSA-N 2 2 391.519 3.666 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886668314 901217105 /nfs/dbraw/zinc/21/71/05/901217105.db2.gz QNALKWLZUXCCGR-UHFFFAOYSA-N 2 2 376.888 3.507 20 0 GHADLP C[C@@H]([NH2+]Cc1nc(Cc2ccccc2F)no1)c1ccc(OCC[NH+](C)C)cc1 ZINC000886714820 901244639 /nfs/dbraw/zinc/24/46/39/901244639.db2.gz VQHGVKWYOBQUAS-MRXNPFEDSA-N 2 2 398.482 3.591 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575744882 901270634 /nfs/dbraw/zinc/27/06/34/901270634.db2.gz FYUCCLFATXHWMY-SVFBPWRDSA-N 2 2 389.902 3.821 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575744882 901270644 /nfs/dbraw/zinc/27/06/44/901270644.db2.gz FYUCCLFATXHWMY-SVFBPWRDSA-N 2 2 389.902 3.821 20 0 GHADLP COC(=O)c1ccc(F)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000576316293 901939922 /nfs/dbraw/zinc/93/99/22/901939922.db2.gz LAAVOCZQXNREOE-TZIWHRDSSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(F)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000576316293 901939928 /nfs/dbraw/zinc/93/99/28/901939928.db2.gz LAAVOCZQXNREOE-TZIWHRDSSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(F)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000576316293 901939935 /nfs/dbraw/zinc/93/99/35/901939935.db2.gz LAAVOCZQXNREOE-TZIWHRDSSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(F)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000576316293 901939945 /nfs/dbraw/zinc/93/99/45/901939945.db2.gz LAAVOCZQXNREOE-TZIWHRDSSA-N 2 2 382.479 3.566 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3ccc4c(c3)COC4)CC2)cc1 ZINC000577036114 902453515 /nfs/dbraw/zinc/45/35/15/902453515.db2.gz YGZIMPAQXJDIRA-QGZVFWFLSA-N 2 2 393.531 3.990 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cncc(Br)c1 ZINC000578144521 903556962 /nfs/dbraw/zinc/55/69/62/903556962.db2.gz WGWQDEGEFIQAMF-CXAGYDPISA-N 2 2 390.329 3.553 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001146892612 903630243 /nfs/dbraw/zinc/63/02/43/903630243.db2.gz XBHIDEDHLMKDLY-UHFFFAOYSA-N 2 2 389.927 3.746 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001146892612 903630247 /nfs/dbraw/zinc/63/02/47/903630247.db2.gz XBHIDEDHLMKDLY-UHFFFAOYSA-N 2 2 389.927 3.746 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000779063150 903757095 /nfs/dbraw/zinc/75/70/95/903757095.db2.gz WTZZHXKJWNMIOZ-IEBWSBKVSA-N 2 2 397.604 3.549 20 0 GHADLP Fc1cc2c(cc1F)C[C@@H](N(c1cccc[nH+]1)[C@H]1COC3(C1)CC[NH2+]CC3)CC2 ZINC001171483505 904727187 /nfs/dbraw/zinc/72/71/87/904727187.db2.gz MXMSGODNSUDUGW-RBUKOAKNSA-N 2 2 399.485 3.635 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2 ZINC000889741159 904743939 /nfs/dbraw/zinc/74/39/39/904743939.db2.gz URAVKBMQTRQQFF-UHFFFAOYSA-N 2 2 398.551 3.505 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2 ZINC000889741159 904743948 /nfs/dbraw/zinc/74/39/48/904743948.db2.gz URAVKBMQTRQQFF-UHFFFAOYSA-N 2 2 398.551 3.505 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171481709 904753914 /nfs/dbraw/zinc/75/39/14/904753914.db2.gz IHZDUXKXAADLIX-SIKLNZKXSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171481709 904753921 /nfs/dbraw/zinc/75/39/21/904753921.db2.gz IHZDUXKXAADLIX-SIKLNZKXSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171481709 904753932 /nfs/dbraw/zinc/75/39/32/904753932.db2.gz IHZDUXKXAADLIX-SIKLNZKXSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171481709 904753945 /nfs/dbraw/zinc/75/39/45/904753945.db2.gz IHZDUXKXAADLIX-SIKLNZKXSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)C2)C1 ZINC001171534235 904759096 /nfs/dbraw/zinc/75/90/96/904759096.db2.gz FOIKAOYATFKIJR-HTAPYJJXSA-N 2 2 396.497 3.784 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)C2)C1 ZINC001171534235 904759107 /nfs/dbraw/zinc/75/91/07/904759107.db2.gz FOIKAOYATFKIJR-HTAPYJJXSA-N 2 2 396.497 3.784 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)C2)C1 ZINC001171534235 904759112 /nfs/dbraw/zinc/75/91/12/904759112.db2.gz FOIKAOYATFKIJR-HTAPYJJXSA-N 2 2 396.497 3.784 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)C2)C1 ZINC001171534235 904759123 /nfs/dbraw/zinc/75/91/23/904759123.db2.gz FOIKAOYATFKIJR-HTAPYJJXSA-N 2 2 396.497 3.784 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCOc2cc[nH+]cc2)C[C@@H]1C(C)(C)C ZINC001171600175 904862504 /nfs/dbraw/zinc/86/25/04/904862504.db2.gz FDCNXDDUIMHUHT-SJLPKXTDSA-N 2 2 377.529 3.864 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC12CCC2 ZINC001171838765 905089035 /nfs/dbraw/zinc/08/90/35/905089035.db2.gz JMTRRTPSPDNEHG-QZTJIDSGSA-N 2 2 377.573 3.915 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC12CCC2 ZINC001171838765 905089052 /nfs/dbraw/zinc/08/90/52/905089052.db2.gz JMTRRTPSPDNEHG-QZTJIDSGSA-N 2 2 377.573 3.915 20 0 GHADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171880800 905153442 /nfs/dbraw/zinc/15/34/42/905153442.db2.gz MXARAQYSVXGOMW-YPAWHYETSA-N 2 2 392.547 3.853 20 0 GHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001171966798 905174537 /nfs/dbraw/zinc/17/45/37/905174537.db2.gz NJBNDIMSWPSFSX-MRXNPFEDSA-N 2 2 392.469 3.945 20 0 GHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001171966798 905174541 /nfs/dbraw/zinc/17/45/41/905174541.db2.gz NJBNDIMSWPSFSX-MRXNPFEDSA-N 2 2 392.469 3.945 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)C1CCN(c2ccc(Br)cc2)CC1 ZINC001171996204 905207999 /nfs/dbraw/zinc/20/79/99/905207999.db2.gz ATFOQIWZKVBBLV-UHFFFAOYSA-N 2 2 377.330 3.637 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)C1CCN(c2ccc(Br)cc2)CC1 ZINC001171996204 905208015 /nfs/dbraw/zinc/20/80/15/905208015.db2.gz ATFOQIWZKVBBLV-UHFFFAOYSA-N 2 2 377.330 3.637 20 0 GHADLP Cc1ccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(Br)c1 ZINC000174296014 905248315 /nfs/dbraw/zinc/24/83/15/905248315.db2.gz RVVYBTAUGLLDHU-CQSZACIVSA-N 2 2 382.346 3.547 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3cccc(Br)c3)CC1)C2 ZINC001172126855 905342121 /nfs/dbraw/zinc/34/21/21/905342121.db2.gz YVFHZNGWBSUZTR-DZFIZOCASA-N 2 2 378.358 3.586 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3cccc(Br)c3)CC1)C2 ZINC001172126855 905342138 /nfs/dbraw/zinc/34/21/38/905342138.db2.gz YVFHZNGWBSUZTR-DZFIZOCASA-N 2 2 378.358 3.586 20 0 GHADLP Cc1ccc(C[NH+]2CCOC3(CC[NH+]([C@@H]4C[C@H]5CCC[C@@H](C4)[N@H+]5C)CC3)C2)cc1 ZINC001172117463 905371959 /nfs/dbraw/zinc/37/19/59/905371959.db2.gz QIVMHMLIENSPHL-BKFWDETESA-N 3 2 397.607 3.677 20 0 GHADLP Cc1ccc(C[NH+]2CCOC3(CC[NH+]([C@@H]4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)CC3)C2)cc1 ZINC001172117463 905371966 /nfs/dbraw/zinc/37/19/66/905371966.db2.gz QIVMHMLIENSPHL-BKFWDETESA-N 3 2 397.607 3.677 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+]([C@@H]4C[C@H]5CCC[C@@H](C4)[NH+]5C)CC3)C2)cc1 ZINC001172117463 905371974 /nfs/dbraw/zinc/37/19/74/905371974.db2.gz QIVMHMLIENSPHL-BKFWDETESA-N 3 2 397.607 3.677 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@@H]4C[C@H]5CCC[C@@H](C4)[NH+]5C)CC3)C2)cc1 ZINC001172117463 905371984 /nfs/dbraw/zinc/37/19/84/905371984.db2.gz QIVMHMLIENSPHL-BKFWDETESA-N 3 2 397.607 3.677 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001172215869 905419232 /nfs/dbraw/zinc/41/92/32/905419232.db2.gz MALISNXLLRKMLH-CMRPQRIMSA-N 2 2 390.955 3.719 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001172215869 905419242 /nfs/dbraw/zinc/41/92/42/905419242.db2.gz MALISNXLLRKMLH-CMRPQRIMSA-N 2 2 390.955 3.719 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)CC1 ZINC001172215869 905419249 /nfs/dbraw/zinc/41/92/49/905419249.db2.gz MALISNXLLRKMLH-CMRPQRIMSA-N 2 2 390.955 3.719 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)CC1 ZINC001172215869 905419261 /nfs/dbraw/zinc/41/92/61/905419261.db2.gz MALISNXLLRKMLH-CMRPQRIMSA-N 2 2 390.955 3.719 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)C1CCC(C(=O)OC)(c2ccc(Cl)cc2)CC1 ZINC001172217750 905422605 /nfs/dbraw/zinc/42/26/05/905422605.db2.gz QWBCMLJAAIPOOW-UHFFFAOYSA-N 2 2 389.927 3.912 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)C1CCC(C(=O)OC)(c2ccc(Cl)cc2)CC1 ZINC001172217750 905422610 /nfs/dbraw/zinc/42/26/10/905422610.db2.gz QWBCMLJAAIPOOW-UHFFFAOYSA-N 2 2 389.927 3.912 20 0 GHADLP COc1cccc2cc(C[N@H+](C)C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)oc21 ZINC000779225229 905496927 /nfs/dbraw/zinc/49/69/27/905496927.db2.gz PUKFHUKSOUNBAA-QHCPKHFHSA-N 2 2 380.488 3.510 20 0 GHADLP COc1cccc2cc(C[N@@H+](C)C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)oc21 ZINC000779225229 905496935 /nfs/dbraw/zinc/49/69/35/905496935.db2.gz PUKFHUKSOUNBAA-QHCPKHFHSA-N 2 2 380.488 3.510 20 0 GHADLP COc1cccc2cc(C[NH+](C)C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)oc21 ZINC000779225229 905496941 /nfs/dbraw/zinc/49/69/41/905496941.db2.gz PUKFHUKSOUNBAA-QHCPKHFHSA-N 2 2 380.488 3.510 20 0 GHADLP COc1cccc2cc(C[NH+](C)C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)oc21 ZINC000779225229 905496947 /nfs/dbraw/zinc/49/69/47/905496947.db2.gz PUKFHUKSOUNBAA-QHCPKHFHSA-N 2 2 380.488 3.510 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@H]([NH2+]Cc3ccc4[nH+]ccn4c3)CC[C@H]2C1 ZINC001172534614 905639970 /nfs/dbraw/zinc/63/99/70/905639970.db2.gz OOEDZJJYTUXBNZ-FDFHNCONSA-N 2 2 388.515 3.755 20 0 GHADLP c1ccc([C@@H]2CCC[C@H]([N@H+]3CCc4nnc(C[NH+]5CCCCC5)n4CC3)C2)cc1 ZINC001172544310 905649451 /nfs/dbraw/zinc/64/94/51/905649451.db2.gz SQEMDLPGEGCNQH-YADHBBJMSA-N 2 2 393.579 3.849 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001172627799 905732630 /nfs/dbraw/zinc/73/26/30/905732630.db2.gz QPDLAWPGKBYRMX-WOJBJXKFSA-N 3 2 398.636 3.547 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001172627799 905732642 /nfs/dbraw/zinc/73/26/42/905732642.db2.gz QPDLAWPGKBYRMX-WOJBJXKFSA-N 3 2 398.636 3.547 20 0 GHADLP Clc1ccc2c(c1)C[C@@H](N(c1cccc[nH+]1)[C@@H]1COC3(C1)CC[NH2+]CC3)C2 ZINC001172718533 905768716 /nfs/dbraw/zinc/76/87/16/905768716.db2.gz RIZDYXANRZQUPL-PMACEKPBSA-N 2 2 383.923 3.620 20 0 GHADLP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001172806015 905879408 /nfs/dbraw/zinc/87/94/08/905879408.db2.gz FKCKQWVAZQRQKQ-FXAWDEMLSA-N 2 2 376.516 3.844 20 0 GHADLP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001172806015 905879414 /nfs/dbraw/zinc/87/94/14/905879414.db2.gz FKCKQWVAZQRQKQ-FXAWDEMLSA-N 2 2 376.516 3.844 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)Cc1c(F)cccc1Cl)C2 ZINC001172851176 905905894 /nfs/dbraw/zinc/90/58/94/905905894.db2.gz OLFQYYUOVKOKRW-OAHLLOKOSA-N 2 2 378.923 3.963 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)Cc1c(F)cccc1Cl)C2 ZINC001172851176 905905905 /nfs/dbraw/zinc/90/59/05/905905905.db2.gz OLFQYYUOVKOKRW-OAHLLOKOSA-N 2 2 378.923 3.963 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@H](C)Cc1c(F)cccc1Cl)C2 ZINC001172851176 905905923 /nfs/dbraw/zinc/90/59/23/905905923.db2.gz OLFQYYUOVKOKRW-OAHLLOKOSA-N 2 2 378.923 3.963 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H](C)Cc1c(F)cccc1Cl)C2 ZINC001172851176 905905939 /nfs/dbraw/zinc/90/59/39/905905939.db2.gz OLFQYYUOVKOKRW-OAHLLOKOSA-N 2 2 378.923 3.963 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3csc(C(F)(F)F)c3)CC2)CC1 ZINC000628316434 906048926 /nfs/dbraw/zinc/04/89/26/906048926.db2.gz UKPIIWLBRXCCQZ-UHFFFAOYSA-N 2 2 375.504 3.759 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3csc(C(F)(F)F)c3)CC2)CC1 ZINC000628316434 906048935 /nfs/dbraw/zinc/04/89/35/906048935.db2.gz UKPIIWLBRXCCQZ-UHFFFAOYSA-N 2 2 375.504 3.759 20 0 GHADLP O=C(c1ccc(F)cc1)N1CCC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001172998916 906073147 /nfs/dbraw/zinc/07/31/47/906073147.db2.gz RSMHLKWPFZHQKV-QHCPKHFHSA-N 2 2 395.522 3.685 20 0 GHADLP O=C(c1ccc(F)cc1)N1CCC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001172998916 906073159 /nfs/dbraw/zinc/07/31/59/906073159.db2.gz RSMHLKWPFZHQKV-QHCPKHFHSA-N 2 2 395.522 3.685 20 0 GHADLP C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001173058781 906135654 /nfs/dbraw/zinc/13/56/54/906135654.db2.gz ZUTDTMVAGKNJRN-IAGOWNOFSA-N 2 2 375.513 3.713 20 0 GHADLP CCSC[C@@H](C)[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001173307205 906363055 /nfs/dbraw/zinc/36/30/55/906363055.db2.gz DDKXATSXANBWCR-QGZVFWFLSA-N 2 2 399.645 3.924 20 0 GHADLP CCSC[C@@H](C)[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001173307205 906363072 /nfs/dbraw/zinc/36/30/72/906363072.db2.gz DDKXATSXANBWCR-QGZVFWFLSA-N 2 2 399.645 3.924 20 0 GHADLP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1)CC2 ZINC001173606348 906558405 /nfs/dbraw/zinc/55/84/05/906558405.db2.gz DUTDNDAJSQTEDS-BPBCLYCFSA-N 2 2 384.564 3.795 20 0 GHADLP COc1ccc(C(=O)Nc2cccc(C[NH+]3CCC([NH2+]C(C)C)CC3)c2)cc1 ZINC000179833210 906614319 /nfs/dbraw/zinc/61/43/19/906614319.db2.gz VNUPFGQUAKMWLE-UHFFFAOYSA-N 2 2 381.520 3.910 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCc3ccc4ccccc4c3)CC2)CC1 ZINC000180115413 906691873 /nfs/dbraw/zinc/69/18/73/906691873.db2.gz SSRGJIGIYARYNO-UHFFFAOYSA-N 2 2 393.575 3.837 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000366007975 921282700 /nfs/dbraw/zinc/28/27/00/921282700.db2.gz WVAKAYLKIUCXOJ-WOIUINJBSA-N 2 2 382.527 3.547 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000366007975 921282705 /nfs/dbraw/zinc/28/27/05/921282705.db2.gz WVAKAYLKIUCXOJ-WOIUINJBSA-N 2 2 382.527 3.547 20 0 GHADLP Cc1[nH+]ccn1Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001174432797 907022601 /nfs/dbraw/zinc/02/26/01/907022601.db2.gz YZPDTRUBTDLGOV-UHFFFAOYSA-N 2 2 392.503 3.694 20 0 GHADLP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000299433673 921309346 /nfs/dbraw/zinc/30/93/46/921309346.db2.gz FWDWWACUCFKTTC-LJQANCHMSA-N 2 2 394.544 3.635 20 0 GHADLP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000299433673 921309347 /nfs/dbraw/zinc/30/93/47/921309347.db2.gz FWDWWACUCFKTTC-LJQANCHMSA-N 2 2 394.544 3.635 20 0 GHADLP Cn1c(C[N@H+](C)CCCC[NH+]2CCCCC2)nnc1-c1ccc(Cl)cc1 ZINC001175686182 907693532 /nfs/dbraw/zinc/69/35/32/907693532.db2.gz BMYOEIRXMVYDCT-UHFFFAOYSA-N 2 2 375.948 3.833 20 0 GHADLP Cn1c(C[N@@H+](C)CCCC[NH+]2CCCCC2)nnc1-c1ccc(Cl)cc1 ZINC001175686182 907693542 /nfs/dbraw/zinc/69/35/42/907693542.db2.gz BMYOEIRXMVYDCT-UHFFFAOYSA-N 2 2 375.948 3.833 20 0 GHADLP CN(C(=O)c1ccc2cccnc2c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000632101192 907937146 /nfs/dbraw/zinc/93/71/46/907937146.db2.gz RDAZHDZGHFYSLC-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccc2cccnc2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000632101192 907937161 /nfs/dbraw/zinc/93/71/61/907937161.db2.gz RDAZHDZGHFYSLC-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP O=C(NCc1cccc2c1CC[NH2+]C2)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000632944160 908162143 /nfs/dbraw/zinc/16/21/43/908162143.db2.gz IHIBQRKYTAQYIM-UHFFFAOYSA-N 2 2 399.498 3.569 20 0 GHADLP CN(C)[C@H](C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1ccco1 ZINC001177117305 908396327 /nfs/dbraw/zinc/39/63/27/908396327.db2.gz PWKJKVKQLNTFJL-GOSISDBHSA-N 2 2 388.899 3.601 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC001178231999 908969062 /nfs/dbraw/zinc/96/90/62/908969062.db2.gz MFZVOTKMPCSKQF-NRFANRHFSA-N 2 2 390.535 3.637 20 0 GHADLP Clc1cc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)ccc1OCCn1cc[nH+]c1 ZINC001178436512 909037483 /nfs/dbraw/zinc/03/74/83/909037483.db2.gz JUSZXVGIBCFGJQ-FXAWDEMLSA-N 2 2 375.900 3.663 20 0 GHADLP CC(C)C[C@@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)n1cc[nH+]c1 ZINC000635281241 909201484 /nfs/dbraw/zinc/20/14/84/909201484.db2.gz WIPBOALTBWFIOT-UXHICEINSA-N 2 2 396.535 3.575 20 0 GHADLP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179598282 909603506 /nfs/dbraw/zinc/60/35/06/909603506.db2.gz MTQDEHXBIFFBIE-QGZVFWFLSA-N 2 2 380.458 3.853 20 0 GHADLP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179598282 909603512 /nfs/dbraw/zinc/60/35/12/909603512.db2.gz MTQDEHXBIFFBIE-QGZVFWFLSA-N 2 2 380.458 3.853 20 0 GHADLP CN(C(=O)Nc1ccnc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245555563 909731565 /nfs/dbraw/zinc/73/15/65/909731565.db2.gz SYLAMOYQRNREAR-ZWKOTPCHSA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1ccnc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245555563 909731579 /nfs/dbraw/zinc/73/15/79/909731579.db2.gz SYLAMOYQRNREAR-ZWKOTPCHSA-N 2 2 393.963 3.536 20 0 GHADLP C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001180051149 909915738 /nfs/dbraw/zinc/91/57/38/909915738.db2.gz BHARSLDJFISHBJ-GBXCKJPGSA-N 2 2 380.532 3.776 20 0 GHADLP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001180051149 909915749 /nfs/dbraw/zinc/91/57/49/909915749.db2.gz BHARSLDJFISHBJ-GBXCKJPGSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]CCn3cc[nH+]c3)s2)cc1OC ZINC000268740818 909993810 /nfs/dbraw/zinc/99/38/10/909993810.db2.gz SBCNCTUQBHPJCX-CQSZACIVSA-N 2 2 386.521 3.607 20 0 GHADLP Cc1cc(C[NH3+])oc1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000638066267 910044859 /nfs/dbraw/zinc/04/48/59/910044859.db2.gz GDSCKTYRQQRGOU-LJQANCHMSA-N 2 2 395.528 3.638 20 0 GHADLP Cc1cc(C[NH3+])oc1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000638066267 910044867 /nfs/dbraw/zinc/04/48/67/910044867.db2.gz GDSCKTYRQQRGOU-LJQANCHMSA-N 2 2 395.528 3.638 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001274451100 910067157 /nfs/dbraw/zinc/06/71/57/910067157.db2.gz KWRVRONQFWINGQ-PZJWPPBQSA-N 2 2 377.960 3.667 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001274451100 910067164 /nfs/dbraw/zinc/06/71/64/910067164.db2.gz KWRVRONQFWINGQ-PZJWPPBQSA-N 2 2 377.960 3.667 20 0 GHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C[C@@H]3CCN(c4ccccc4)C3)C2)CC1 ZINC000639122171 910324997 /nfs/dbraw/zinc/32/49/97/910324997.db2.gz ZGGUWGPGDCDFJO-VQSBYGRUSA-N 2 2 381.486 3.908 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)[C@@H](C)C1 ZINC000639590038 910536760 /nfs/dbraw/zinc/53/67/60/910536760.db2.gz SKWLDVMTYVUCOF-FJIDUMEYSA-N 2 2 392.506 3.651 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)[C@@H](C)C1 ZINC000639590038 910536772 /nfs/dbraw/zinc/53/67/72/910536772.db2.gz SKWLDVMTYVUCOF-FJIDUMEYSA-N 2 2 392.506 3.651 20 0 GHADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@@H](C)C1 ZINC000270405171 910551744 /nfs/dbraw/zinc/55/17/44/910551744.db2.gz ZVBXMJAWKKJJOX-LAUBAEHRSA-N 2 2 393.535 3.796 20 0 GHADLP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@@H](C)C1 ZINC000270405171 910551749 /nfs/dbraw/zinc/55/17/49/910551749.db2.gz ZVBXMJAWKKJJOX-LAUBAEHRSA-N 2 2 393.535 3.796 20 0 GHADLP Brc1ccc(-c2c[nH]c(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)n2)cc1 ZINC000271219805 910822708 /nfs/dbraw/zinc/82/27/08/910822708.db2.gz ZUESGABROYEFTA-UHFFFAOYSA-N 2 2 386.297 3.942 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1Cl ZINC001182220393 911312074 /nfs/dbraw/zinc/31/20/74/911312074.db2.gz AZHQMZAXRCOBMT-VDGAXYAQSA-N 2 2 379.976 3.958 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@H+](C(C)C)C[C@@H]1C)c1ccccc1Cl ZINC001182220393 911312093 /nfs/dbraw/zinc/31/20/93/911312093.db2.gz AZHQMZAXRCOBMT-VDGAXYAQSA-N 2 2 379.976 3.958 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C(=O)OC)c1ccccc1C ZINC000466799765 911632282 /nfs/dbraw/zinc/63/22/82/911632282.db2.gz ASABBCINNHDDNN-JOCHJYFZSA-N 2 2 381.520 3.843 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C(=O)OC)c1ccccc1C ZINC000466799765 911632291 /nfs/dbraw/zinc/63/22/91/911632291.db2.gz ASABBCINNHDDNN-JOCHJYFZSA-N 2 2 381.520 3.843 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000774415035 911722825 /nfs/dbraw/zinc/72/28/25/911722825.db2.gz XJGWZQNIXYBLLS-YOEHRIQHSA-N 2 2 376.932 3.521 20 0 GHADLP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H](c3ncc[nH]3)c3ccccc3)cc2)CC1 ZINC000284372448 911844862 /nfs/dbraw/zinc/84/48/62/911844862.db2.gz NUBSPZRWMZFESJ-JOCHJYFZSA-N 2 2 376.504 3.762 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000796365150 915022795 /nfs/dbraw/zinc/02/27/95/915022795.db2.gz YAYHSURVWDUNBV-IBGZPJMESA-N 2 2 395.938 3.841 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000796365150 915022815 /nfs/dbraw/zinc/02/28/15/915022815.db2.gz YAYHSURVWDUNBV-IBGZPJMESA-N 2 2 395.938 3.841 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000647344373 915166919 /nfs/dbraw/zinc/16/69/19/915166919.db2.gz PFNCKRLDXYGPHT-PQVVKJAFSA-N 3 2 377.576 3.832 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000647344373 915166924 /nfs/dbraw/zinc/16/69/24/915166924.db2.gz PFNCKRLDXYGPHT-PQVVKJAFSA-N 3 2 377.576 3.832 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344373 915166932 /nfs/dbraw/zinc/16/69/32/915166932.db2.gz PFNCKRLDXYGPHT-PQVVKJAFSA-N 3 2 377.576 3.832 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344373 915166936 /nfs/dbraw/zinc/16/69/36/915166936.db2.gz PFNCKRLDXYGPHT-PQVVKJAFSA-N 3 2 377.576 3.832 20 0 GHADLP O=C(CC[C@H]1CCC[NH2+]1)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000292012567 915473650 /nfs/dbraw/zinc/47/36/50/915473650.db2.gz DLELOGKHISUTOH-JOCHJYFZSA-N 2 2 388.515 3.747 20 0 GHADLP S=c1oc2ccc(Cl)cc2n1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000097506829 915635428 /nfs/dbraw/zinc/63/54/28/915635428.db2.gz MMPIHICGIPNMDS-UHFFFAOYSA-N 2 2 381.929 3.619 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000648739061 915850140 /nfs/dbraw/zinc/85/01/40/915850140.db2.gz WDALTDSRJOLWDM-KZNAEPCWSA-N 2 2 384.524 3.645 20 0 GHADLP C[N@H+](C[C@@H](O)c1cc2ccccc2o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000292846780 915872043 /nfs/dbraw/zinc/87/20/43/915872043.db2.gz QAIFRGGGAJZOAM-OAQYLSRUSA-N 2 2 379.504 3.500 20 0 GHADLP C[N@@H+](C[C@@H](O)c1cc2ccccc2o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000292846780 915872055 /nfs/dbraw/zinc/87/20/55/915872055.db2.gz QAIFRGGGAJZOAM-OAQYLSRUSA-N 2 2 379.504 3.500 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000292855494 915876382 /nfs/dbraw/zinc/87/63/82/915876382.db2.gz ZQJKQAZCTBOWJZ-RBUKOAKNSA-N 2 2 387.549 3.683 20 0 GHADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@H+](Cc3ccc(Cl)s3)CC2)C1=O ZINC001275695465 916079695 /nfs/dbraw/zinc/07/96/95/916079695.db2.gz QTFNLKRLAYKGGJ-IBGZPJMESA-N 2 2 392.956 3.540 20 0 GHADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Cl)s3)CC2)C1=O ZINC001275695465 916079712 /nfs/dbraw/zinc/07/97/12/916079712.db2.gz QTFNLKRLAYKGGJ-IBGZPJMESA-N 2 2 392.956 3.540 20 0 GHADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc(N2CCCC2)n1 ZINC000293688481 916331623 /nfs/dbraw/zinc/33/16/23/916331623.db2.gz NONOHFDBJIEYAS-FPOVZHCZSA-N 2 2 379.552 3.528 20 0 GHADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc(N2CCCC2)n1 ZINC000293688481 916331646 /nfs/dbraw/zinc/33/16/46/916331646.db2.gz NONOHFDBJIEYAS-FPOVZHCZSA-N 2 2 379.552 3.528 20 0 GHADLP CN(C(=O)c1ccc2ccncc2c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000649917666 916523515 /nfs/dbraw/zinc/52/35/15/916523515.db2.gz XCARZFQFBBJTDY-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccc2ccncc2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000649917666 916523526 /nfs/dbraw/zinc/52/35/26/916523526.db2.gz XCARZFQFBBJTDY-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)c3cccc4ccccc43)CC2)CC1 ZINC000294682346 916930209 /nfs/dbraw/zinc/93/02/09/916930209.db2.gz JWSBHHZKNQEIIO-UHFFFAOYSA-N 2 2 393.575 3.792 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccccc3Sc3ccccc3)C2)CC1 ZINC000363054148 917690171 /nfs/dbraw/zinc/69/01/71/917690171.db2.gz QUPKHFJAIKJZQD-GOSISDBHSA-N 2 2 395.572 3.736 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccccc3Sc3ccccc3)C2)CC1 ZINC000363054148 917690180 /nfs/dbraw/zinc/69/01/80/917690180.db2.gz QUPKHFJAIKJZQD-GOSISDBHSA-N 2 2 395.572 3.736 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CCCC[C@H]3C(C)C)CC2)cc1 ZINC001191022875 917711590 /nfs/dbraw/zinc/71/15/90/917711590.db2.gz YQYGBABAUYQINC-QHCPKHFHSA-N 2 2 385.596 3.965 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCCC[C@H]3C(C)C)CC2)cc1 ZINC001191022875 917711592 /nfs/dbraw/zinc/71/15/92/917711592.db2.gz YQYGBABAUYQINC-QHCPKHFHSA-N 2 2 385.596 3.965 20 0 GHADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2c(F)ccc(Br)c2F)C1 ZINC000652363458 917884957 /nfs/dbraw/zinc/88/49/57/917884957.db2.gz FHWGNJOCINOJIG-HFBAOOFYSA-N 2 2 389.284 3.588 20 0 GHADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2c(F)ccc(Br)c2F)C1 ZINC000652363458 917884972 /nfs/dbraw/zinc/88/49/72/917884972.db2.gz FHWGNJOCINOJIG-HFBAOOFYSA-N 2 2 389.284 3.588 20 0 GHADLP CC(C)C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)C1 ZINC001191344295 917916987 /nfs/dbraw/zinc/91/69/87/917916987.db2.gz WQRCZCGIJJFXJC-JOCHJYFZSA-N 2 2 385.596 3.822 20 0 GHADLP CC(C)C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)C1 ZINC001191344295 917916996 /nfs/dbraw/zinc/91/69/96/917916996.db2.gz WQRCZCGIJJFXJC-JOCHJYFZSA-N 2 2 385.596 3.822 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CCCCC2)[C@H](C)C1 ZINC001191601406 918091963 /nfs/dbraw/zinc/09/19/63/918091963.db2.gz NPNYHKWANCSOOD-IFMALSPDSA-N 2 2 385.596 3.667 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CCCCC2)[C@H](C)C1 ZINC001191601406 918091973 /nfs/dbraw/zinc/09/19/73/918091973.db2.gz NPNYHKWANCSOOD-IFMALSPDSA-N 2 2 385.596 3.667 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCC2(c3ccccc3)CCCCC2)[C@H](C)C1 ZINC001191601406 918091978 /nfs/dbraw/zinc/09/19/78/918091978.db2.gz NPNYHKWANCSOOD-IFMALSPDSA-N 2 2 385.596 3.667 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCC2(c3ccccc3)CCCCC2)[C@H](C)C1 ZINC001191601406 918091993 /nfs/dbraw/zinc/09/19/93/918091993.db2.gz NPNYHKWANCSOOD-IFMALSPDSA-N 2 2 385.596 3.667 20 0 GHADLP O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000653114848 918129762 /nfs/dbraw/zinc/12/97/62/918129762.db2.gz YRGLWOXNBBWEDF-NRFANRHFSA-N 2 2 388.515 3.604 20 0 GHADLP C[NH+](C)CCCN(C(=O)Cc1c[nH+]c[nH]1)C(c1ccccc1)c1ccccc1 ZINC000900536042 920379680 /nfs/dbraw/zinc/37/96/80/920379680.db2.gz VNMNBGUUFCGOAE-UHFFFAOYSA-N 2 2 376.504 3.522 20 0 GHADLP Cn1cc(-c2ccc(C[NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)s2)cn1 ZINC000800885874 920565710 /nfs/dbraw/zinc/56/57/10/920565710.db2.gz KDRXUOVEBWYQGM-UHFFFAOYSA-N 2 2 395.576 3.973 20 0 GHADLP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1nc(Br)cs1 ZINC000902502056 922241718 /nfs/dbraw/zinc/24/17/18/922241718.db2.gz LIRKZQUAIFLQGR-BNLOLNQZSA-N 2 2 394.338 3.812 20 0 GHADLP Cc1[nH+]ccn1CCC[NH2+]Cc1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl ZINC000802643954 922289013 /nfs/dbraw/zinc/28/90/13/922289013.db2.gz YSCNITHKPYGUKP-UHFFFAOYSA-N 2 2 386.931 3.585 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902981811 922679248 /nfs/dbraw/zinc/67/92/48/922679248.db2.gz FMBDSCFECVANCU-FXAWDEMLSA-N 2 2 375.476 3.829 20 0 GHADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@@H]3CCO[C@@]34CCOC4)cc2)c[nH+]1 ZINC000903086818 922761069 /nfs/dbraw/zinc/76/10/69/922761069.db2.gz AKYADEBOMANLBG-DNQXCXABSA-N 2 2 389.499 3.636 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](c3ccccn3)C3CC3)CC2)cc1 ZINC000903178899 922835045 /nfs/dbraw/zinc/83/50/45/922835045.db2.gz JRVOOBFFJQWQNX-QHCPKHFHSA-N 2 2 378.520 3.745 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000371300304 924514746 /nfs/dbraw/zinc/51/47/46/924514746.db2.gz OEATYVHSJSRSOL-ZLNRFVROSA-N 2 2 393.531 3.622 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000371300304 924514750 /nfs/dbraw/zinc/51/47/50/924514750.db2.gz OEATYVHSJSRSOL-ZLNRFVROSA-N 2 2 393.531 3.622 20 0 GHADLP O=C(c1ccccc1)N1CCC(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000371605827 924712317 /nfs/dbraw/zinc/71/23/17/924712317.db2.gz IWZNCIJDYQUSTD-UHFFFAOYSA-N 2 2 397.485 3.545 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c4ccc(F)cc34)CC2)C1 ZINC001137334949 924738726 /nfs/dbraw/zinc/73/87/26/924738726.db2.gz AWDJBEKDIGHMGQ-INIZCTEOSA-N 2 2 387.499 3.547 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c4ccc(F)cc34)CC2)C1 ZINC001137334949 924738733 /nfs/dbraw/zinc/73/87/33/924738733.db2.gz AWDJBEKDIGHMGQ-INIZCTEOSA-N 2 2 387.499 3.547 20 0 GHADLP O[C@H]([C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000679042959 925008133 /nfs/dbraw/zinc/00/81/33/925008133.db2.gz IXBXHLFJDHLVDY-WOJBJXKFSA-N 2 2 384.486 3.908 20 0 GHADLP C[C@@H]([NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000679045814 925010475 /nfs/dbraw/zinc/01/04/75/925010475.db2.gz XOQHHCFJAIPWQQ-YKSBVNFPSA-N 2 2 390.531 3.550 20 0 GHADLP O=C1[C@@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000679213092 925067869 /nfs/dbraw/zinc/06/78/69/925067869.db2.gz ARYMGYDSBQJWGV-YOEHRIQHSA-N 2 2 379.291 3.632 20 0 GHADLP O=C1[C@@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000679213092 925067878 /nfs/dbraw/zinc/06/78/78/925067878.db2.gz ARYMGYDSBQJWGV-YOEHRIQHSA-N 2 2 379.291 3.632 20 0 GHADLP Brc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c2ncccc12 ZINC000679330359 925097287 /nfs/dbraw/zinc/09/72/87/925097287.db2.gz SAJXLAZTFHJZKU-UHFFFAOYSA-N 2 2 383.293 3.715 20 0 GHADLP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)oc21 ZINC000680405683 925469969 /nfs/dbraw/zinc/46/99/69/925469969.db2.gz CBYHNRBEXCMZCL-XLIONFOSSA-N 2 2 382.504 3.975 20 0 GHADLP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)oc21 ZINC000680405683 925469977 /nfs/dbraw/zinc/46/99/77/925469977.db2.gz CBYHNRBEXCMZCL-XLIONFOSSA-N 2 2 382.504 3.975 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000410282573 925497414 /nfs/dbraw/zinc/49/74/14/925497414.db2.gz OXENCTRMJLMRDO-FPOVZHCZSA-N 2 2 380.536 3.618 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000410282573 925497420 /nfs/dbraw/zinc/49/74/20/925497420.db2.gz OXENCTRMJLMRDO-FPOVZHCZSA-N 2 2 380.536 3.618 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ccccc1 ZINC000681977327 925968360 /nfs/dbraw/zinc/96/83/60/925968360.db2.gz RTBATJUPKOOFEG-JOCHJYFZSA-N 2 2 389.478 3.878 20 0 GHADLP Cc1cc2ncc([C@@H](C)[NH2+]C3CC([NH+]4CCC(C(F)(F)F)CC4)C3)c(C)n2n1 ZINC000373527778 926220595 /nfs/dbraw/zinc/22/05/95/926220595.db2.gz IKSYNTHNTCZWSS-NVPAJSRCSA-N 2 2 395.473 3.802 20 0 GHADLP Cc1ccc(N2CC[C@@H]([NH2+][C@H](Cn3cc[nH+]c3)c3ccc(C)cc3C)C2=O)cc1 ZINC000749605963 927210866 /nfs/dbraw/zinc/21/08/66/927210866.db2.gz RDFJBMVGZAWABH-DHIUTWEWSA-N 2 2 388.515 3.945 20 0 GHADLP C/C(=C\C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000750052144 927406667 /nfs/dbraw/zinc/40/66/67/927406667.db2.gz VCOPFMYBZMBEPN-OBGWFSINSA-N 2 2 389.971 3.810 20 0 GHADLP Cc1ccc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c(N(C)C)[nH+]1 ZINC000750386334 927595807 /nfs/dbraw/zinc/59/58/07/927595807.db2.gz DPGRXXZWXDAACR-SFHVURJKSA-N 2 2 387.572 3.964 20 0 GHADLP Cc1ccc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(N(C)C)[nH+]1 ZINC000750386334 927595816 /nfs/dbraw/zinc/59/58/16/927595816.db2.gz DPGRXXZWXDAACR-SFHVURJKSA-N 2 2 387.572 3.964 20 0 GHADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1nc3ccc(F)cc3o1)CC2 ZINC000374854826 927605470 /nfs/dbraw/zinc/60/54/70/927605470.db2.gz YTCANBHUENHTMX-QGZVFWFLSA-N 2 2 386.496 3.910 20 0 GHADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1nc3ccc(F)cc3o1)CC2 ZINC000374854826 927605476 /nfs/dbraw/zinc/60/54/76/927605476.db2.gz YTCANBHUENHTMX-QGZVFWFLSA-N 2 2 386.496 3.910 20 0 GHADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375434103 928300553 /nfs/dbraw/zinc/30/05/53/928300553.db2.gz CUDXDVVEQAYOPV-LJQANCHMSA-N 2 2 383.540 3.573 20 0 GHADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375434103 928300569 /nfs/dbraw/zinc/30/05/69/928300569.db2.gz CUDXDVVEQAYOPV-LJQANCHMSA-N 2 2 383.540 3.573 20 0 GHADLP O[C@H](COCc1ccccc1Cl)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543988279 928653235 /nfs/dbraw/zinc/65/32/35/928653235.db2.gz JAOUZJDPQPTNQI-FQEVSTJZSA-N 2 2 391.943 3.606 20 0 GHADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)N[C@H](c1ccccc1)C1CC1 ZINC000543988952 928653299 /nfs/dbraw/zinc/65/32/99/928653299.db2.gz NRMZTYIYBBTDML-HSZRJFAPSA-N 2 2 380.536 3.643 20 0 GHADLP O[C@H](CO[C@H]1CCCc2ccccc21)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543989342 928654894 /nfs/dbraw/zinc/65/48/94/928654894.db2.gz DQPYTLCTCXVWGX-UPVQGACJSA-N 2 2 397.563 3.830 20 0 GHADLP C[C@@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000467132651 928738773 /nfs/dbraw/zinc/73/87/73/928738773.db2.gz YLCGGSZNVNNUNC-GFCCVEGCSA-N 2 2 381.307 3.773 20 0 GHADLP Brc1cccc(-c2noc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)n2)c1 ZINC000467137190 928744019 /nfs/dbraw/zinc/74/40/19/928744019.db2.gz JWYZVAFOERMVOT-UHFFFAOYSA-N 2 2 388.269 3.602 20 0 GHADLP Fc1cncc([C@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)C2CC2)c1 ZINC000467354676 928989648 /nfs/dbraw/zinc/98/96/48/928989648.db2.gz DMDLSJJCXSTABX-XMMPIXPASA-N 2 2 396.554 3.859 20 0 GHADLP CCS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)c1 ZINC000467422253 929055394 /nfs/dbraw/zinc/05/53/94/929055394.db2.gz ZNHBQCJDRUTEBL-DYESRHJHSA-N 2 2 378.582 3.613 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](c3ccc(F)cc3)c3ccccn3)[nH+]c2)C1 ZINC000544384217 929113991 /nfs/dbraw/zinc/11/39/91/929113991.db2.gz HVUDRBWKPCJGEU-OFNKIYASSA-N 2 2 391.494 3.958 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2C(C)(C)C)[C@H](C)C1 ZINC000469789738 930163875 /nfs/dbraw/zinc/16/38/75/930163875.db2.gz FXMPZZCKAWMRPT-UYAOXDASSA-N 2 2 389.584 3.649 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2C(C)(C)C)[C@H](C)C1 ZINC000469789738 930163878 /nfs/dbraw/zinc/16/38/78/930163878.db2.gz FXMPZZCKAWMRPT-UYAOXDASSA-N 2 2 389.584 3.649 20 0 GHADLP C/C(=C/c1cccc(Cl)c1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000759183147 930301723 /nfs/dbraw/zinc/30/17/23/930301723.db2.gz KGXSZVMBIWNSIG-SDXDJHTJSA-N 2 2 389.971 3.810 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000547509032 931081318 /nfs/dbraw/zinc/08/13/18/931081318.db2.gz RYMHIGABPMNQKP-XMSQKQJNSA-N 2 2 381.520 3.524 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000547509032 931081327 /nfs/dbraw/zinc/08/13/27/931081327.db2.gz RYMHIGABPMNQKP-XMSQKQJNSA-N 2 2 381.520 3.524 20 0 GHADLP O[C@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1cccc(Br)c1 ZINC000783029794 931390107 /nfs/dbraw/zinc/39/01/07/931390107.db2.gz GETGWRVAKGLNRK-LJQANCHMSA-N 2 2 392.341 3.871 20 0 GHADLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cc(-c2ccccc2)no1 ZINC000924926647 931587307 /nfs/dbraw/zinc/58/73/07/931587307.db2.gz DUMGZHDLDGVJMB-WMZHIEFXSA-N 2 2 390.531 3.981 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCc2c1nccc2Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000924963891 931596720 /nfs/dbraw/zinc/59/67/20/931596720.db2.gz MYOVXNCQIHNFBI-KUHUBIRLSA-N 2 2 388.918 3.964 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)COc2ccccc2C)c(C)c1 ZINC000557931990 931761462 /nfs/dbraw/zinc/76/14/62/931761462.db2.gz XJEXZFLYZCNXOR-UNMCSNQZSA-N 2 2 379.504 3.579 20 0 GHADLP Nc1cc[nH+]c(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)c1 ZINC000925766315 931897069 /nfs/dbraw/zinc/89/70/69/931897069.db2.gz ITJOPSADBCHRJT-GOSISDBHSA-N 2 2 376.298 3.684 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CCOCC1)c1ccccc1 ZINC000558243554 931900228 /nfs/dbraw/zinc/90/02/28/931900228.db2.gz FIVAXPYCHYPJGX-JQHSSLGASA-N 2 2 386.458 3.586 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796695880 932033244 /nfs/dbraw/zinc/03/32/44/932033244.db2.gz PZXWPQRMUVIBIH-KZNAEPCWSA-N 2 2 390.572 3.869 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926107196 932050032 /nfs/dbraw/zinc/05/00/32/932050032.db2.gz LCCFAENCQVHFQD-JOCHJYFZSA-N 2 2 379.508 3.636 20 0 GHADLP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000926332737 932138749 /nfs/dbraw/zinc/13/87/49/932138749.db2.gz ZANZYBGDVSRNLO-GWFLUQINSA-N 2 2 384.490 3.526 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)C[C@H]1c1ccccc1 ZINC000559738627 932828112 /nfs/dbraw/zinc/82/81/12/932828112.db2.gz CTNFHGNEBNVEPN-ROUUACIJSA-N 2 2 379.426 3.948 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)C[C@H]1c1ccccc1 ZINC000559738627 932828118 /nfs/dbraw/zinc/82/81/18/932828118.db2.gz CTNFHGNEBNVEPN-ROUUACIJSA-N 2 2 379.426 3.948 20 0 GHADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000560517046 933305441 /nfs/dbraw/zinc/30/54/41/933305441.db2.gz WVWBYTHZCWLATG-FKBYEOEOSA-N 2 2 392.547 3.833 20 0 GHADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000560517046 933305451 /nfs/dbraw/zinc/30/54/51/933305451.db2.gz WVWBYTHZCWLATG-FKBYEOEOSA-N 2 2 392.547 3.833 20 0 GHADLP CCOc1c(Cl)cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1OC ZINC001116061944 933312987 /nfs/dbraw/zinc/31/29/87/933312987.db2.gz ZKMFLGJXUZARON-UHFFFAOYSA-N 2 2 386.839 3.889 20 0 GHADLP Cc1noc2nc(C(C)C)cc(C(=O)Nc3c[nH+]ccc3-n3cc[nH+]c3C)c12 ZINC001116070800 933317967 /nfs/dbraw/zinc/31/79/67/933317967.db2.gz DJIQGWGSIKYJQW-UHFFFAOYSA-N 2 2 376.420 3.796 20 0 GHADLP CCOc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1OC(=O)CC ZINC001117948059 934066244 /nfs/dbraw/zinc/06/62/44/934066244.db2.gz KSGSSURPOMNTFD-QGZVFWFLSA-N 2 2 385.508 3.589 20 0 GHADLP CCOc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1OC(=O)CC ZINC001117948059 934066257 /nfs/dbraw/zinc/06/62/57/934066257.db2.gz KSGSSURPOMNTFD-QGZVFWFLSA-N 2 2 385.508 3.589 20 0 GHADLP COc1ccc(C([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccc(OC)cc2)cc1 ZINC001118387453 934152129 /nfs/dbraw/zinc/15/21/29/934152129.db2.gz RIOYEFTUEVJQMD-NRFANRHFSA-N 2 2 396.531 3.636 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC001118816871 934256485 /nfs/dbraw/zinc/25/64/85/934256485.db2.gz UFBPRWXXHXAWIJ-LBPRGKRZSA-N 2 2 384.268 3.916 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC001118816871 934256492 /nfs/dbraw/zinc/25/64/92/934256492.db2.gz UFBPRWXXHXAWIJ-LBPRGKRZSA-N 2 2 384.268 3.916 20 0 GHADLP COc1cccc(C[NH+]2CCC([NH2+]CCC(=O)Nc3cccc(F)c3C)CC2)c1 ZINC001120467296 934466380 /nfs/dbraw/zinc/46/63/80/934466380.db2.gz IHXGFZFHGKLXCA-UHFFFAOYSA-N 2 2 399.510 3.726 20 0 GHADLP CCOc1ccccc1[C@@H]([NH3+])CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC001121974208 934795824 /nfs/dbraw/zinc/79/58/24/934795824.db2.gz FRBQOQJRHAYNPT-KRWDZBQOSA-N 2 2 388.537 3.556 20 0 GHADLP Cc1ccc(S(=O)(=O)n2cc(C[N@@H+](C)CCC[NH+](C)C)c3ccccc32)cc1 ZINC001137586745 935604085 /nfs/dbraw/zinc/60/40/85/935604085.db2.gz CDHXABSENMZJMP-UHFFFAOYSA-N 2 2 399.560 3.570 20 0 GHADLP Cc1ccc(S(=O)(=O)n2cc(C[N@H+](C)CCC[NH+](C)C)c3ccccc32)cc1 ZINC001137586745 935604090 /nfs/dbraw/zinc/60/40/90/935604090.db2.gz CDHXABSENMZJMP-UHFFFAOYSA-N 2 2 399.560 3.570 20 0 GHADLP Cc1nn(C)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001137748450 935768110 /nfs/dbraw/zinc/76/81/10/935768110.db2.gz BALUZQGHMANSCF-DBVUQKKJSA-N 2 2 387.959 3.509 20 0 GHADLP Cc1nn(C)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001137748450 935768112 /nfs/dbraw/zinc/76/81/12/935768112.db2.gz BALUZQGHMANSCF-DBVUQKKJSA-N 2 2 387.959 3.509 20 0 GHADLP Cc1nn(C)c(Cl)c1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001137748450 935768113 /nfs/dbraw/zinc/76/81/13/935768113.db2.gz BALUZQGHMANSCF-DBVUQKKJSA-N 2 2 387.959 3.509 20 0 GHADLP Cc1nn(C)c(Cl)c1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001137748450 935768115 /nfs/dbraw/zinc/76/81/15/935768115.db2.gz BALUZQGHMANSCF-DBVUQKKJSA-N 2 2 387.959 3.509 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000829751850 935856462 /nfs/dbraw/zinc/85/64/62/935856462.db2.gz OTOURGKOSAMJLZ-QGZVFWFLSA-N 2 2 375.476 3.561 20 0 GHADLP FC(F)(F)c1ccnc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000545330643 1015781177 /nfs/dbraw/zinc/78/11/77/1015781177.db2.gz BXEDJUSVACRSFW-UHFFFAOYSA-N 2 2 387.409 3.608 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001221424843 1032409805 /nfs/dbraw/zinc/40/98/05/1032409805.db2.gz MJPNALZUGMREDJ-LJQANCHMSA-N 2 2 399.514 3.608 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001221424843 1032409812 /nfs/dbraw/zinc/40/98/12/1032409812.db2.gz MJPNALZUGMREDJ-LJQANCHMSA-N 2 2 399.514 3.608 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1F)CC2 ZINC001204194934 1032648818 /nfs/dbraw/zinc/64/88/18/1032648818.db2.gz JMIMZGMUSSZQOV-IBGZPJMESA-N 2 2 387.474 3.615 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1F)CC2 ZINC001204194934 1032648822 /nfs/dbraw/zinc/64/88/22/1032648822.db2.gz JMIMZGMUSSZQOV-IBGZPJMESA-N 2 2 387.474 3.615 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1c(F)cccc1F)CC2 ZINC001204200052 1032652543 /nfs/dbraw/zinc/65/25/43/1032652543.db2.gz HLWUQHNRBKYXSQ-SFHVURJKSA-N 2 2 387.474 3.615 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1c(F)cccc1F)CC2 ZINC001204200052 1032652554 /nfs/dbraw/zinc/65/25/54/1032652554.db2.gz HLWUQHNRBKYXSQ-SFHVURJKSA-N 2 2 387.474 3.615 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC001204224156 1032670203 /nfs/dbraw/zinc/67/02/03/1032670203.db2.gz NLRMDKRXSJBXFB-LJQANCHMSA-N 2 2 387.474 3.615 20 0 GHADLP Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1C ZINC000562888814 1018757522 /nfs/dbraw/zinc/75/75/22/1018757522.db2.gz QBROZQRSUYWTBX-FQEVSTJZSA-N 2 2 382.552 3.870 20 0 GHADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000562892392 1018762560 /nfs/dbraw/zinc/76/25/60/1018762560.db2.gz IYQKJYRLQRRKQN-UHFFFAOYSA-N 2 2 397.523 3.801 20 0 GHADLP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000563752422 1018950785 /nfs/dbraw/zinc/95/07/85/1018950785.db2.gz GQPDDBOTQTZGQP-ILWGZMRPSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000563752422 1018950789 /nfs/dbraw/zinc/95/07/89/1018950789.db2.gz GQPDDBOTQTZGQP-ILWGZMRPSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1ccccc1NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000563752422 1018950795 /nfs/dbraw/zinc/95/07/95/1018950795.db2.gz GQPDDBOTQTZGQP-ILWGZMRPSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1ccccc1NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000563752422 1018950799 /nfs/dbraw/zinc/95/07/99/1018950799.db2.gz GQPDDBOTQTZGQP-ILWGZMRPSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000563752423 1018951200 /nfs/dbraw/zinc/95/12/00/1018951200.db2.gz GQPDDBOTQTZGQP-KSEOMHKRSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000563752423 1018951207 /nfs/dbraw/zinc/95/12/07/1018951207.db2.gz GQPDDBOTQTZGQP-KSEOMHKRSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1ccccc1NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000563752423 1018951208 /nfs/dbraw/zinc/95/12/08/1018951208.db2.gz GQPDDBOTQTZGQP-KSEOMHKRSA-N 2 2 377.532 3.776 20 0 GHADLP Cc1ccccc1NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000563752423 1018951209 /nfs/dbraw/zinc/95/12/09/1018951209.db2.gz GQPDDBOTQTZGQP-KSEOMHKRSA-N 2 2 377.532 3.776 20 0 GHADLP CC[N@H+](CCC1CC[NH+](CCS(=O)(=O)c2ccc(F)cc2)CC1)CC(C)C ZINC000575949562 1019959877 /nfs/dbraw/zinc/95/98/77/1019959877.db2.gz VYUZNBCYBXXJFE-UHFFFAOYSA-N 2 2 398.588 3.679 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](CCS(=O)(=O)c2ccc(F)cc2)CC1)CC(C)C ZINC000575949562 1019959882 /nfs/dbraw/zinc/95/98/82/1019959882.db2.gz VYUZNBCYBXXJFE-UHFFFAOYSA-N 2 2 398.588 3.679 20 0 GHADLP CN(C(=O)Nc1cccc2[nH]ccc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245642796 1032907690 /nfs/dbraw/zinc/90/76/90/1032907690.db2.gz DYDQBKPCZOSJGB-FCHUYYIVSA-N 2 2 397.567 3.969 20 0 GHADLP CN(C(=O)Nc1cccc2[nH]ccc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245642796 1032907695 /nfs/dbraw/zinc/90/76/95/1032907695.db2.gz DYDQBKPCZOSJGB-FCHUYYIVSA-N 2 2 397.567 3.969 20 0 GHADLP Oc1cccc2[nH]cc(C[NH+]3CC(c4[nH+]cn5cc(Br)ccc45)C3)c21 ZINC001140234437 1021208692 /nfs/dbraw/zinc/20/86/92/1021208692.db2.gz HZYLDTFERUFYQQ-UHFFFAOYSA-N 2 2 397.276 3.883 20 0 GHADLP Fc1ccccc1-c1ncc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC001140400880 1021567967 /nfs/dbraw/zinc/56/79/67/1021567967.db2.gz FDRIRWREMITZAE-HDICACEKSA-N 2 2 394.519 3.908 20 0 GHADLP Fc1ccccc1-c1ncc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC001140400880 1021567987 /nfs/dbraw/zinc/56/79/87/1021567987.db2.gz FDRIRWREMITZAE-HDICACEKSA-N 2 2 394.519 3.908 20 0 GHADLP Fc1ccccc1-c1ncc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC001140400880 1021568002 /nfs/dbraw/zinc/56/80/02/1021568002.db2.gz FDRIRWREMITZAE-HDICACEKSA-N 2 2 394.519 3.908 20 0 GHADLP Fc1ccccc1-c1ncc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC001140400880 1021568018 /nfs/dbraw/zinc/56/80/18/1021568018.db2.gz FDRIRWREMITZAE-HDICACEKSA-N 2 2 394.519 3.908 20 0 GHADLP C[C@@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000835288523 1022006586 /nfs/dbraw/zinc/00/65/86/1022006586.db2.gz ZASWZNXSXOPHAU-XXBNENTESA-N 2 2 389.499 3.999 20 0 GHADLP C[C@@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000835288523 1022006600 /nfs/dbraw/zinc/00/66/00/1022006600.db2.gz ZASWZNXSXOPHAU-XXBNENTESA-N 2 2 389.499 3.999 20 0 GHADLP Cc1cc(Br)ccc1N1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140805614 1022579438 /nfs/dbraw/zinc/57/94/38/1022579438.db2.gz KUCDURYQBJLRIA-UHFFFAOYSA-N 2 2 385.309 3.956 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H]1C(F)(F)F ZINC001140805298 1022579729 /nfs/dbraw/zinc/57/97/29/1022579729.db2.gz AATYNIGCKFYNSR-GDBMZVCRSA-N 2 2 398.429 3.840 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H]1C(F)(F)F ZINC001140805298 1022579736 /nfs/dbraw/zinc/57/97/36/1022579736.db2.gz AATYNIGCKFYNSR-GDBMZVCRSA-N 2 2 398.429 3.840 20 0 GHADLP C[C@@H]([NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754479127 1022730015 /nfs/dbraw/zinc/73/00/15/1022730015.db2.gz WBSRUYSQPOHJSA-NEPJUHHUSA-N 2 2 378.870 3.835 20 0 GHADLP C[C@@H]([NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754479127 1022730033 /nfs/dbraw/zinc/73/00/33/1022730033.db2.gz WBSRUYSQPOHJSA-NEPJUHHUSA-N 2 2 378.870 3.835 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000754897323 1022956101 /nfs/dbraw/zinc/95/61/01/1022956101.db2.gz FXOQGPJUIMSDEX-ICSRJNTNSA-N 2 2 381.923 3.607 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000754897323 1022956106 /nfs/dbraw/zinc/95/61/06/1022956106.db2.gz FXOQGPJUIMSDEX-ICSRJNTNSA-N 2 2 381.923 3.607 20 0 GHADLP COC(=O)c1cnc([C@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC001204804206 1033095982 /nfs/dbraw/zinc/09/59/82/1033095982.db2.gz XXWQDRBGTZKIIQ-KRWDZBQOSA-N 2 2 399.560 3.979 20 0 GHADLP COC(=O)c1cnc([C@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC001204804206 1033095996 /nfs/dbraw/zinc/09/59/96/1033095996.db2.gz XXWQDRBGTZKIIQ-KRWDZBQOSA-N 2 2 399.560 3.979 20 0 GHADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001228806236 1033108016 /nfs/dbraw/zinc/10/80/16/1033108016.db2.gz MZWFGPRZVUTUBQ-HDFUYHJRSA-N 2 2 398.595 3.538 20 0 GHADLP Cc1ccc(-c2nn(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c(=S)n2C)cc1 ZINC000755779933 1023373611 /nfs/dbraw/zinc/37/36/11/1023373611.db2.gz VKEOUHPALYBXMU-IBGZPJMESA-N 2 2 385.581 3.548 20 0 GHADLP Cc1ccc(-c2nn(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c(=S)n2C)cc1 ZINC000755779933 1023373623 /nfs/dbraw/zinc/37/36/23/1023373623.db2.gz VKEOUHPALYBXMU-IBGZPJMESA-N 2 2 385.581 3.548 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3nc(-c4ccc(F)cc4)oc3=S)C2)CC1 ZINC000755778013 1023374085 /nfs/dbraw/zinc/37/40/85/1023374085.db2.gz CVPSFTQEDKRYJG-MRXNPFEDSA-N 2 2 376.501 3.633 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3nc(-c4ccc(F)cc4)oc3=S)C2)CC1 ZINC000755778013 1023374096 /nfs/dbraw/zinc/37/40/96/1023374096.db2.gz CVPSFTQEDKRYJG-MRXNPFEDSA-N 2 2 376.501 3.633 20 0 GHADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cccc(OCc2ccccc2)c1 ZINC001138079495 1024017998 /nfs/dbraw/zinc/01/79/98/1024017998.db2.gz LNFPHDDEDVFBCU-UHFFFAOYSA-N 2 2 384.520 3.582 20 0 GHADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cccc(OCc2ccccc2)c1 ZINC001138079495 1024018017 /nfs/dbraw/zinc/01/80/17/1024018017.db2.gz LNFPHDDEDVFBCU-UHFFFAOYSA-N 2 2 384.520 3.582 20 0 GHADLP O=C1N(CC2CCCC2)CCC12CC[NH+](Cc1cccc(-n3cc[nH+]c3)c1)CC2 ZINC001141239479 1024242393 /nfs/dbraw/zinc/24/23/93/1024242393.db2.gz UPIDSNMSHAKHDK-UHFFFAOYSA-N 2 2 392.547 3.877 20 0 GHADLP Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4cccc(-n5cc[nH+]c5)c4)CC[N@@H+]3C2)cc1 ZINC001141241208 1024244252 /nfs/dbraw/zinc/24/42/52/1024244252.db2.gz GALAXUGISGCLPQ-ISKFKSNPSA-N 2 2 388.515 3.518 20 0 GHADLP Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4cccc(-n5cc[nH+]c5)c4)CC[N@H+]3C2)cc1 ZINC001141241208 1024244273 /nfs/dbraw/zinc/24/42/73/1024244273.db2.gz GALAXUGISGCLPQ-ISKFKSNPSA-N 2 2 388.515 3.518 20 0 GHADLP Cc1ccc2[nH]c(C[NH+]3CCC4(CCC[N@H+]4Cc4cnn(C)c4)CC3)cc2c1 ZINC001138418489 1024809056 /nfs/dbraw/zinc/80/90/56/1024809056.db2.gz PPKUVRXQXCTVON-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP Cc1ccc2[nH]c(C[NH+]3CCC4(CCC[N@@H+]4Cc4cnn(C)c4)CC3)cc2c1 ZINC001138418489 1024809074 /nfs/dbraw/zinc/80/90/74/1024809074.db2.gz PPKUVRXQXCTVON-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001202840363 1024973483 /nfs/dbraw/zinc/97/34/83/1024973483.db2.gz SPBMLGXJCBFHHD-UHFFFAOYSA-N 2 2 389.908 3.609 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@](F)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC001138550144 1024998562 /nfs/dbraw/zinc/99/85/62/1024998562.db2.gz KWEIDKWKFSGZFK-NRFANRHFSA-N 2 2 388.487 3.619 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@](F)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC001138550144 1024998565 /nfs/dbraw/zinc/99/85/65/1024998565.db2.gz KWEIDKWKFSGZFK-NRFANRHFSA-N 2 2 388.487 3.619 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1c[nH]nc1C(C)(C)C)CC2 ZINC001138577213 1025055490 /nfs/dbraw/zinc/05/54/90/1025055490.db2.gz TUVIZEFXXSZPPO-UHFFFAOYSA-N 2 2 385.556 3.943 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1c[nH]nc1C(C)(C)C)CC2 ZINC001138577213 1025055502 /nfs/dbraw/zinc/05/55/02/1025055502.db2.gz TUVIZEFXXSZPPO-UHFFFAOYSA-N 2 2 385.556 3.943 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccccc4N4CCCC4)CC3)C2)co1 ZINC001138609051 1025098749 /nfs/dbraw/zinc/09/87/49/1025098749.db2.gz FQLSDAVRRRFUAW-UHFFFAOYSA-N 2 2 395.547 3.747 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4ccccc4N4CCCC4)CC3)C2)co1 ZINC001138609051 1025098760 /nfs/dbraw/zinc/09/87/60/1025098760.db2.gz FQLSDAVRRRFUAW-UHFFFAOYSA-N 2 2 395.547 3.747 20 0 GHADLP Fc1ccc(-n2cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)cn2)cc1 ZINC001138648257 1025159625 /nfs/dbraw/zinc/15/96/25/1025159625.db2.gz VWRLGWMAUJHBLK-HDICACEKSA-N 2 2 382.508 3.637 20 0 GHADLP Fc1ccc(-n2cc(C[N@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)cn2)cc1 ZINC001138648257 1025159628 /nfs/dbraw/zinc/15/96/28/1025159628.db2.gz VWRLGWMAUJHBLK-HDICACEKSA-N 2 2 382.508 3.637 20 0 GHADLP Fc1ccc(-n2cc(C[NH+]3C[C@@H]4C[N@H+](Cc5cccs5)C[C@@H]4C3)cn2)cc1 ZINC001138648257 1025159635 /nfs/dbraw/zinc/15/96/35/1025159635.db2.gz VWRLGWMAUJHBLK-HDICACEKSA-N 2 2 382.508 3.637 20 0 GHADLP Fc1ccc(-n2cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccs5)C[C@@H]4C3)cn2)cc1 ZINC001138648257 1025159640 /nfs/dbraw/zinc/15/96/40/1025159640.db2.gz VWRLGWMAUJHBLK-HDICACEKSA-N 2 2 382.508 3.637 20 0 GHADLP Fc1ccc(-n2cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)cn2)cc1 ZINC001138653177 1025168221 /nfs/dbraw/zinc/16/82/21/1025168221.db2.gz UTKZIGZDXPUNAQ-NHCUHLMSSA-N 2 2 376.479 3.575 20 0 GHADLP C[NH+](C)CCOc1ccc(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC001138772685 1025343637 /nfs/dbraw/zinc/34/36/37/1025343637.db2.gz VZVOFGKFMYEYCZ-UHFFFAOYSA-N 3 2 381.564 3.723 20 0 GHADLP C[NH+](C)CCOc1ccc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC001138772685 1025343647 /nfs/dbraw/zinc/34/36/47/1025343647.db2.gz VZVOFGKFMYEYCZ-UHFFFAOYSA-N 3 2 381.564 3.723 20 0 GHADLP CC1([NH+]2CCCCC2)CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000832224645 1025349005 /nfs/dbraw/zinc/34/90/05/1025349005.db2.gz DVFKIMACZUZRIG-HXUWFJFHSA-N 2 2 380.536 3.799 20 0 GHADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(I)o2)CC1 ZINC001138902304 1025551735 /nfs/dbraw/zinc/55/17/35/1025551735.db2.gz OSUHFJIMFUDTSK-UHFFFAOYSA-N 2 2 376.282 3.581 20 0 GHADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(I)o2)CC1 ZINC001138902304 1025551727 /nfs/dbraw/zinc/55/17/27/1025551727.db2.gz OSUHFJIMFUDTSK-UHFFFAOYSA-N 2 2 376.282 3.581 20 0 GHADLP COC(=O)c1cccc(CN(c2cc(C(C)C)[nH+]c(C)n2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162190059 1025656830 /nfs/dbraw/zinc/65/68/30/1025656830.db2.gz OLNQZNXDMNAOQI-MXVIHJGJSA-N 2 2 396.535 3.972 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@H](c2ccccc2)N2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC001461018169 1069339485 /nfs/dbraw/zinc/33/94/85/1069339485.db2.gz CLDCUXJLHLMOSZ-BJKOFHAPSA-N 2 2 393.575 3.703 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@H](c2ccccc2)N2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC001461018169 1069339496 /nfs/dbraw/zinc/33/94/96/1069339496.db2.gz CLDCUXJLHLMOSZ-BJKOFHAPSA-N 2 2 393.575 3.703 20 0 GHADLP CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC001139052689 1025841189 /nfs/dbraw/zinc/84/11/89/1025841189.db2.gz KTHXEGLQMPDBTH-HXUWFJFHSA-N 2 2 382.548 3.981 20 0 GHADLP CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC001139052689 1025841210 /nfs/dbraw/zinc/84/12/10/1025841210.db2.gz KTHXEGLQMPDBTH-HXUWFJFHSA-N 2 2 382.548 3.981 20 0 GHADLP COC(=O)c1ccc(-c2ccc(NCC[C@@H]3CC[NH2+]CC3(F)F)[nH+]c2C)cc1 ZINC001162813481 1025926386 /nfs/dbraw/zinc/92/63/86/1025926386.db2.gz VNDWETJQXUZKGD-KRWDZBQOSA-N 2 2 389.446 3.890 20 0 GHADLP COc1ccc(OC)c2c1C[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C[C@@H]2O ZINC000839464878 1025954834 /nfs/dbraw/zinc/95/48/34/1025954834.db2.gz KRPNUWFQWXFBMS-NRFANRHFSA-N 2 2 396.531 3.739 20 0 GHADLP COc1ccc(OC)c2c1C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C[C@@H]2O ZINC000839464878 1025954846 /nfs/dbraw/zinc/95/48/46/1025954846.db2.gz KRPNUWFQWXFBMS-NRFANRHFSA-N 2 2 396.531 3.739 20 0 GHADLP Cc1ccc2c(c1)[C@H](Nc1cc(C3(C)OCCO3)cc[nH+]1)CC21CC[NH2+]CC1 ZINC001163029378 1026012538 /nfs/dbraw/zinc/01/25/38/1026012538.db2.gz AXQGRQIXBWEVQO-HXUWFJFHSA-N 2 2 379.504 3.788 20 0 GHADLP C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139356143 1026226860 /nfs/dbraw/zinc/22/68/60/1026226860.db2.gz FOUHPLOYIPMVKJ-IEBWSBKVSA-N 2 2 384.524 3.998 20 0 GHADLP C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139356143 1026226870 /nfs/dbraw/zinc/22/68/70/1026226870.db2.gz FOUHPLOYIPMVKJ-IEBWSBKVSA-N 2 2 384.524 3.998 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]21 ZINC001139355827 1026227580 /nfs/dbraw/zinc/22/75/80/1026227580.db2.gz BWQZIZYBFVNYPC-UYAOXDASSA-N 2 2 382.508 3.704 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]21 ZINC001139355827 1026227595 /nfs/dbraw/zinc/22/75/95/1026227595.db2.gz BWQZIZYBFVNYPC-UYAOXDASSA-N 2 2 382.508 3.704 20 0 GHADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC001139422412 1026292109 /nfs/dbraw/zinc/29/21/09/1026292109.db2.gz FGTRSZDBFHUOTE-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC001139422412 1026292119 /nfs/dbraw/zinc/29/21/19/1026292119.db2.gz FGTRSZDBFHUOTE-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(Cl)n1)CC2 ZINC001139549251 1026413339 /nfs/dbraw/zinc/41/33/39/1026413339.db2.gz HWLPRGFISPHBPO-QGZVFWFLSA-N 2 2 375.900 3.584 20 0 GHADLP CCOc1ccc(C)cc1C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001139604488 1026469205 /nfs/dbraw/zinc/46/92/05/1026469205.db2.gz RUNXFMQYQSETLK-UHFFFAOYSA-N 2 2 382.552 3.758 20 0 GHADLP CCOc1ccc(C)cc1C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001139604488 1026469212 /nfs/dbraw/zinc/46/92/12/1026469212.db2.gz RUNXFMQYQSETLK-UHFFFAOYSA-N 2 2 382.552 3.758 20 0 GHADLP C[N@H+](Cc1cccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1)C(C)(C)C ZINC001139710396 1026555306 /nfs/dbraw/zinc/55/53/06/1026555306.db2.gz LKMQZMDNDWYNAO-UHFFFAOYSA-N 2 2 375.557 3.970 20 0 GHADLP C[N@@H+](Cc1cccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1)C(C)(C)C ZINC001139710396 1026555313 /nfs/dbraw/zinc/55/53/13/1026555313.db2.gz LKMQZMDNDWYNAO-UHFFFAOYSA-N 2 2 375.557 3.970 20 0 GHADLP COc1cccc([C@H]2CCC[N@@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001139764444 1026602849 /nfs/dbraw/zinc/60/28/49/1026602849.db2.gz LVMGJKNORZPMIH-XMMPIXPASA-N 2 2 396.531 3.743 20 0 GHADLP COc1cccc([C@H]2CCC[N@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001139764444 1026602853 /nfs/dbraw/zinc/60/28/53/1026602853.db2.gz LVMGJKNORZPMIH-XMMPIXPASA-N 2 2 396.531 3.743 20 0 GHADLP Cc1[nH+]c2c(n1-c1cnc(Cl)nc1Oc1cccc(Cl)c1)CC[NH2+]CC2 ZINC001165356439 1026711674 /nfs/dbraw/zinc/71/16/74/1026711674.db2.gz PPCFYTSEWQIQLK-UHFFFAOYSA-N 2 2 390.274 3.758 20 0 GHADLP COc1cc2cc[nH+]c(N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c2cc1F ZINC001165421752 1026723676 /nfs/dbraw/zinc/72/36/76/1026723676.db2.gz ROKBKRZHMUWAQR-XXBNENTESA-N 2 2 377.463 3.966 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC2(CCCN2c2ncccn2)CC1 ZINC001140021138 1026804941 /nfs/dbraw/zinc/80/49/41/1026804941.db2.gz ICVFBFVFAADNEC-UHFFFAOYSA-N 2 2 388.519 3.606 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001140028277 1026817299 /nfs/dbraw/zinc/81/72/99/1026817299.db2.gz QFBXGCQRILNSFS-UHFFFAOYSA-N 2 2 383.883 3.668 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001140027385 1026817511 /nfs/dbraw/zinc/81/75/11/1026817511.db2.gz KQMPCHRKGKKJQG-LJQANCHMSA-N 2 2 392.478 3.714 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001140027385 1026817522 /nfs/dbraw/zinc/81/75/22/1026817522.db2.gz KQMPCHRKGKKJQG-LJQANCHMSA-N 2 2 392.478 3.714 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)[C@H]1c1ccc(F)cc1 ZINC001209729340 1027124100 /nfs/dbraw/zinc/12/41/00/1027124100.db2.gz YCMMFMKBMBTGIA-TZIWHRDSSA-N 2 2 397.498 3.778 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)[C@H]1c1ccc(F)cc1 ZINC001209729340 1027124110 /nfs/dbraw/zinc/12/41/10/1027124110.db2.gz YCMMFMKBMBTGIA-TZIWHRDSSA-N 2 2 397.498 3.778 20 0 GHADLP CC(C)(C)OC(=O)N1Cc2ccccc2C12CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001209732617 1027126792 /nfs/dbraw/zinc/12/67/92/1027126792.db2.gz AFUDLJUBGZAYOE-UHFFFAOYSA-N 2 2 394.519 3.736 20 0 GHADLP O[C@H]1C[NH2+]CC[N@H+](Cc2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)C1 ZINC001210400252 1027489831 /nfs/dbraw/zinc/48/98/31/1027489831.db2.gz SNTKMQMHQWRQPJ-IBGZPJMESA-N 2 2 391.490 3.684 20 0 GHADLP O[C@H]1C[NH2+]CC[N@@H+](Cc2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)C1 ZINC001210400252 1027489839 /nfs/dbraw/zinc/48/98/39/1027489839.db2.gz SNTKMQMHQWRQPJ-IBGZPJMESA-N 2 2 391.490 3.684 20 0 GHADLP Cc1c[nH+]c(C)c(Nc2cc3cccc4c3c(c2)C(=O)N(CC[NH+](C)C)C4=O)c1 ZINC001203663374 1027516607 /nfs/dbraw/zinc/51/66/07/1027516607.db2.gz IXMLSDDYCBHUTM-UHFFFAOYSA-N 2 2 388.471 3.753 20 0 GHADLP Cc1cc(CNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)cc(C)[nH+]1 ZINC001276417732 1027569681 /nfs/dbraw/zinc/56/96/81/1027569681.db2.gz DJHKTGBVNZRFFC-IBGZPJMESA-N 2 2 381.520 3.882 20 0 GHADLP Cc1cc(CNC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)cc(C)[nH+]1 ZINC001276417732 1027569689 /nfs/dbraw/zinc/56/96/89/1027569689.db2.gz DJHKTGBVNZRFFC-IBGZPJMESA-N 2 2 381.520 3.882 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1O ZINC001203868998 1027672288 /nfs/dbraw/zinc/67/22/88/1027672288.db2.gz KHNBHIQWDXHLRE-SESVDKBCSA-N 2 2 381.520 3.528 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1O ZINC001203868998 1027672292 /nfs/dbraw/zinc/67/22/92/1027672292.db2.gz KHNBHIQWDXHLRE-SESVDKBCSA-N 2 2 381.520 3.528 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1O ZINC001203868998 1027672306 /nfs/dbraw/zinc/67/23/06/1027672306.db2.gz KHNBHIQWDXHLRE-SESVDKBCSA-N 2 2 381.520 3.528 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1O ZINC001203868998 1027672312 /nfs/dbraw/zinc/67/23/12/1027672312.db2.gz KHNBHIQWDXHLRE-SESVDKBCSA-N 2 2 381.520 3.528 20 0 GHADLP NC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(Oc4ccccc4)cc3)CC2)CC1 ZINC001203944879 1027738745 /nfs/dbraw/zinc/73/87/45/1027738745.db2.gz VLXXNGUWSZVNSC-UHFFFAOYSA-N 2 2 393.531 3.641 20 0 GHADLP Cc1ccc(Br)c(F)c1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC001461277772 1069477885 /nfs/dbraw/zinc/47/78/85/1069477885.db2.gz YKSJHHQZDIQREC-UHFFFAOYSA-N 2 2 387.337 3.876 20 0 GHADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(F)ccc2Oc2ccc(F)cc2Cl)C1 ZINC001461409332 1069538103 /nfs/dbraw/zinc/53/81/03/1069538103.db2.gz MVSDFMKGNYZLAT-IBGZPJMESA-N 2 2 382.838 3.567 20 0 GHADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(F)ccc2Oc2ccc(F)cc2Cl)C1 ZINC001461409332 1069538104 /nfs/dbraw/zinc/53/81/04/1069538104.db2.gz MVSDFMKGNYZLAT-IBGZPJMESA-N 2 2 382.838 3.567 20 0 GHADLP C[NH+](C)Cc1cc(C[NH2+]Cc2cc(Br)cnc2Cl)ccc1F ZINC000842678963 1029486644 /nfs/dbraw/zinc/48/66/44/1029486644.db2.gz IKJRTANBEUNBOM-UHFFFAOYSA-N 2 2 386.696 3.988 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)C1 ZINC001142852695 1029584397 /nfs/dbraw/zinc/58/43/97/1029584397.db2.gz JAWMPXWUKYYJNI-OAQYLSRUSA-N 2 2 393.531 3.598 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)C1 ZINC001142852695 1029584403 /nfs/dbraw/zinc/58/44/03/1029584403.db2.gz JAWMPXWUKYYJNI-OAQYLSRUSA-N 2 2 393.531 3.598 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cc(Br)ncc1F ZINC000842922218 1029687010 /nfs/dbraw/zinc/68/70/10/1029687010.db2.gz AQQRNBFBEBDJRO-UNEWFSDZSA-N 2 2 392.316 3.979 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cc(Br)ncc1F ZINC000842922218 1029687013 /nfs/dbraw/zinc/68/70/13/1029687013.db2.gz AQQRNBFBEBDJRO-UNEWFSDZSA-N 2 2 392.316 3.979 20 0 GHADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cn2ccc(Br)cc2n1 ZINC001143046629 1029809646 /nfs/dbraw/zinc/80/96/46/1029809646.db2.gz CLRDCQDEMGXILK-ROUUACIJSA-N 2 2 391.357 3.936 20 0 GHADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cn2ccc(Br)cc2n1 ZINC001143046629 1029809658 /nfs/dbraw/zinc/80/96/58/1029809658.db2.gz CLRDCQDEMGXILK-ROUUACIJSA-N 2 2 391.357 3.936 20 0 GHADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cn2ccc(Br)cc2n1 ZINC001143046629 1029809667 /nfs/dbraw/zinc/80/96/67/1029809667.db2.gz CLRDCQDEMGXILK-ROUUACIJSA-N 2 2 391.357 3.936 20 0 GHADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cn2ccc(Br)cc2n1 ZINC001143046629 1029809673 /nfs/dbraw/zinc/80/96/73/1029809673.db2.gz CLRDCQDEMGXILK-ROUUACIJSA-N 2 2 391.357 3.936 20 0 GHADLP COC(=O)c1ccc2[nH]cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)c2c1 ZINC001143228188 1029928135 /nfs/dbraw/zinc/92/81/35/1029928135.db2.gz IDGIUCIMTRZSPM-HDICACEKSA-N 2 2 395.528 3.580 20 0 GHADLP COC(=O)c1ccc2[nH]cc(C[N@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)c2c1 ZINC001143228188 1029928148 /nfs/dbraw/zinc/92/81/48/1029928148.db2.gz IDGIUCIMTRZSPM-HDICACEKSA-N 2 2 395.528 3.580 20 0 GHADLP COC(=O)c1ccc2[nH]cc(C[NH+]3C[C@@H]4C[N@H+](Cc5cccs5)C[C@@H]4C3)c2c1 ZINC001143228188 1029928155 /nfs/dbraw/zinc/92/81/55/1029928155.db2.gz IDGIUCIMTRZSPM-HDICACEKSA-N 2 2 395.528 3.580 20 0 GHADLP COC(=O)c1ccc2[nH]cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccs5)C[C@@H]4C3)c2c1 ZINC001143228188 1029928162 /nfs/dbraw/zinc/92/81/62/1029928162.db2.gz IDGIUCIMTRZSPM-HDICACEKSA-N 2 2 395.528 3.580 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCC[C@H](c4ccccc4)CC3)C2)CC1 ZINC001222012066 1029931300 /nfs/dbraw/zinc/93/13/00/1029931300.db2.gz UUCHIUJJYBWCDL-FKBYEOEOSA-N 2 2 398.595 3.571 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCC[C@H](c4ccccc4)CC3)C2)CC1 ZINC001222012066 1029931303 /nfs/dbraw/zinc/93/13/03/1029931303.db2.gz UUCHIUJJYBWCDL-FKBYEOEOSA-N 2 2 398.595 3.571 20 0 GHADLP CCC[NH+]1CCC([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2F)CC1 ZINC000404654801 1029941608 /nfs/dbraw/zinc/94/16/08/1029941608.db2.gz OWGWSGKBQZCIMX-UHFFFAOYSA-N 2 2 379.520 3.814 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398914 1029969543 /nfs/dbraw/zinc/96/95/43/1029969543.db2.gz AXRVZQJTZGILPF-YZGWKJHDSA-N 2 2 398.551 3.939 20 0 GHADLP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)s1 ZINC001222242100 1030029560 /nfs/dbraw/zinc/02/95/60/1030029560.db2.gz AIVNQPFUKXSNEK-KRWDZBQOSA-N 2 2 384.471 3.885 20 0 GHADLP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)s1 ZINC001222242100 1030029575 /nfs/dbraw/zinc/02/95/75/1030029575.db2.gz AIVNQPFUKXSNEK-KRWDZBQOSA-N 2 2 384.471 3.885 20 0 GHADLP Cc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)cc1I ZINC001222320142 1030068518 /nfs/dbraw/zinc/06/85/18/1030068518.db2.gz AZUQVVUWHZLCFT-KRWDZBQOSA-N 2 2 384.305 3.708 20 0 GHADLP Cc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1I ZINC001222320142 1030068534 /nfs/dbraw/zinc/06/85/34/1030068534.db2.gz AZUQVVUWHZLCFT-KRWDZBQOSA-N 2 2 384.305 3.708 20 0 GHADLP Fc1cc(C[N@@H+]2CCOCC3(CC[NH2+]CC3)C2)c(Cl)c(C(F)(F)F)c1 ZINC001222414947 1030116508 /nfs/dbraw/zinc/11/65/08/1030116508.db2.gz QTOGCBDADUPZRN-UHFFFAOYSA-N 2 2 380.813 3.700 20 0 GHADLP Fc1cc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c(Cl)c(C(F)(F)F)c1 ZINC001222414947 1030116520 /nfs/dbraw/zinc/11/65/20/1030116520.db2.gz QTOGCBDADUPZRN-UHFFFAOYSA-N 2 2 380.813 3.700 20 0 GHADLP COc1ccc(-c2noc(-c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)n2)cc1F ZINC001217116068 1030178359 /nfs/dbraw/zinc/17/83/59/1030178359.db2.gz HHYKFTLJLATYDG-UHFFFAOYSA-N 2 2 398.482 3.935 20 0 GHADLP COc1ccc(-c2noc(-c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)n2)cc1F ZINC001217116068 1030178370 /nfs/dbraw/zinc/17/83/70/1030178370.db2.gz HHYKFTLJLATYDG-UHFFFAOYSA-N 2 2 398.482 3.935 20 0 GHADLP C[N@@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H]2CC[NH2+]CC2(F)F)c1-3 ZINC001218009907 1030721885 /nfs/dbraw/zinc/72/18/85/1030721885.db2.gz KFKYWSXCCYMFRO-SJLPKXTDSA-N 2 2 386.442 3.520 20 0 GHADLP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H]2CC[NH2+]CC2(F)F)c1-3 ZINC001218009907 1030721900 /nfs/dbraw/zinc/72/19/00/1030721900.db2.gz KFKYWSXCCYMFRO-SJLPKXTDSA-N 2 2 386.442 3.520 20 0 GHADLP O=C(NCc1[nH+]cn2ccccc12)c1cccc2c1C[N@H+](Cc1ccccc1)C2 ZINC001151819288 1031016141 /nfs/dbraw/zinc/01/61/41/1031016141.db2.gz HINPDNMAYBNLDH-UHFFFAOYSA-N 2 2 382.467 3.780 20 0 GHADLP O=C(NCc1[nH+]cn2ccccc12)c1cccc2c1C[N@@H+](Cc1ccccc1)C2 ZINC001151819288 1031016155 /nfs/dbraw/zinc/01/61/55/1031016155.db2.gz HINPDNMAYBNLDH-UHFFFAOYSA-N 2 2 382.467 3.780 20 0 GHADLP CC(C)(c1ccc(N)cc1)c1ccc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)cc1 ZINC001218911204 1031148295 /nfs/dbraw/zinc/14/82/95/1031148295.db2.gz NEGAJSVVBFLURA-JOCHJYFZSA-N 2 2 388.515 3.806 20 0 GHADLP CN(C(=O)/C=C/C=C(Cl)Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001153503217 1031619965 /nfs/dbraw/zinc/61/99/65/1031619965.db2.gz CCNYISCXEAWYJC-DTIZEGCPSA-N 2 2 388.383 3.657 20 0 GHADLP CN(C(=O)/C=C/C=C(Cl)Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001153503217 1031619974 /nfs/dbraw/zinc/61/99/74/1031619974.db2.gz CCNYISCXEAWYJC-DTIZEGCPSA-N 2 2 388.383 3.657 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@@]1([NH3+])CCc2ccccc21)c1ccc(Cl)cc1Cl ZINC001220532311 1031979678 /nfs/dbraw/zinc/97/96/78/1031979678.db2.gz GEIHAZRGTYWUGW-UYAOXDASSA-N 2 2 392.330 3.513 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCCCC2)C[C@@H]1C[NH3+] ZINC001205303551 1033350819 /nfs/dbraw/zinc/35/08/19/1033350819.db2.gz HUUGGBKRNJVFGW-WBVHZDCISA-N 2 2 380.374 3.856 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2N2CCCCC2)C[C@@H]1C[NH3+] ZINC001205303551 1033350835 /nfs/dbraw/zinc/35/08/35/1033350835.db2.gz HUUGGBKRNJVFGW-WBVHZDCISA-N 2 2 380.374 3.856 20 0 GHADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Br)c(OC(F)(F)F)c1 ZINC001205913151 1033632888 /nfs/dbraw/zinc/63/28/88/1033632888.db2.gz HFWAZDWKMFPHIA-ZYHUDNBSSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(Br)c(OC(F)(F)F)c1 ZINC001205913151 1033632895 /nfs/dbraw/zinc/63/28/95/1033632895.db2.gz HFWAZDWKMFPHIA-ZYHUDNBSSA-N 2 2 381.236 3.907 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@@H]3C)c2n1 ZINC001205916954 1033634232 /nfs/dbraw/zinc/63/42/32/1033634232.db2.gz WYUKHQIFKOFFHC-STQMWFEESA-N 2 2 378.314 3.565 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H]3C)c2n1 ZINC001205916954 1033634237 /nfs/dbraw/zinc/63/42/37/1033634237.db2.gz WYUKHQIFKOFFHC-STQMWFEESA-N 2 2 378.314 3.565 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(C[NH+]2CCCC2)c(F)c1 ZINC001206539536 1033898465 /nfs/dbraw/zinc/89/84/65/1033898465.db2.gz LOHUYUIBYDJCIY-UHFFFAOYSA-N 2 2 384.495 3.929 20 0 GHADLP Cc1cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cc(C)c1I ZINC001206572932 1033912203 /nfs/dbraw/zinc/91/22/03/1033912203.db2.gz HZVQQMWDESSKPH-KRWDZBQOSA-N 2 2 386.321 3.859 20 0 GHADLP Cc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc(C)c1I ZINC001206572932 1033912206 /nfs/dbraw/zinc/91/22/06/1033912206.db2.gz HZVQQMWDESSKPH-KRWDZBQOSA-N 2 2 386.321 3.859 20 0 GHADLP CC(C)[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC001206598774 1033919589 /nfs/dbraw/zinc/91/95/89/1033919589.db2.gz MNIQESBTNKUDOF-KRWDZBQOSA-N 3 2 391.357 3.987 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC001206598774 1033919596 /nfs/dbraw/zinc/91/95/96/1033919596.db2.gz MNIQESBTNKUDOF-KRWDZBQOSA-N 3 2 391.357 3.987 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC3(C)CCC(C)(C)CC3)CC2)CC1 ZINC001230150673 1033919873 /nfs/dbraw/zinc/91/98/73/1033919873.db2.gz SHISEAGMOBKFOY-UHFFFAOYSA-N 2 2 392.632 3.795 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC3(C)CCC(C)(C)CC3)CC2)CC1 ZINC001230150673 1033919881 /nfs/dbraw/zinc/91/98/81/1033919881.db2.gz SHISEAGMOBKFOY-UHFFFAOYSA-N 2 2 392.632 3.795 20 0 GHADLP COC(=O)c1ccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(Br)c1 ZINC001206599270 1033921004 /nfs/dbraw/zinc/92/10/04/1033921004.db2.gz PTYYSPPXXSSEOR-INIZCTEOSA-N 2 2 383.330 3.588 20 0 GHADLP COC(=O)c1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(Br)c1 ZINC001206599270 1033921010 /nfs/dbraw/zinc/92/10/10/1033921010.db2.gz PTYYSPPXXSSEOR-INIZCTEOSA-N 2 2 383.330 3.588 20 0 GHADLP COc1ccc(CN(c2nc(NC(C)C)c(C)c[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158156394 1033942455 /nfs/dbraw/zinc/94/24/55/1033942455.db2.gz SPGOTLIJWVIOSE-WGSAOQKQSA-N 2 2 383.540 3.890 20 0 GHADLP Cc1cc(N(C2CC[NH2+]CC2)C(F)(F)c2nc(Cl)ccc2C)nc(C)[nH+]1 ZINC001158391949 1034059326 /nfs/dbraw/zinc/05/93/26/1034059326.db2.gz PWBICOMYSJRMPT-UHFFFAOYSA-N 2 2 381.858 3.758 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1[nH+]cc3ccccn31)CC2 ZINC001207051605 1034071464 /nfs/dbraw/zinc/07/14/64/1034071464.db2.gz KZLFJAANTWZAPC-JOCHJYFZSA-N 2 2 390.531 3.590 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CCCCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC001207101173 1034092374 /nfs/dbraw/zinc/09/23/74/1034092374.db2.gz GIZFHLFSPZHGIK-KRWDZBQOSA-N 2 2 385.512 3.537 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC001207101173 1034092392 /nfs/dbraw/zinc/09/23/92/1034092392.db2.gz GIZFHLFSPZHGIK-KRWDZBQOSA-N 2 2 385.512 3.537 20 0 GHADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)CC[C@H]21 ZINC001207175130 1034145404 /nfs/dbraw/zinc/14/54/04/1034145404.db2.gz QYGBNGKIHWNCHF-CRAIPNDOSA-N 2 2 391.581 3.567 20 0 GHADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)CC[C@H]21 ZINC001207175130 1034145413 /nfs/dbraw/zinc/14/54/13/1034145413.db2.gz QYGBNGKIHWNCHF-CRAIPNDOSA-N 2 2 391.581 3.567 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)CC[C@H]21 ZINC001207175130 1034145420 /nfs/dbraw/zinc/14/54/20/1034145420.db2.gz QYGBNGKIHWNCHF-CRAIPNDOSA-N 2 2 391.581 3.567 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)CC[C@H]21 ZINC001207175130 1034145434 /nfs/dbraw/zinc/14/54/34/1034145434.db2.gz QYGBNGKIHWNCHF-CRAIPNDOSA-N 2 2 391.581 3.567 20 0 GHADLP CC(C)(C)[C@]1(C[NH+]2CCN(CC(F)F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001461895153 1069850318 /nfs/dbraw/zinc/85/03/18/1069850318.db2.gz IAGSVEAEWFBEDM-QFIPXVFZSA-N 2 2 379.539 3.808 20 0 GHADLP CC(C)(C)[C@]1(C[NH+]2CCN(CC(F)F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001461895153 1069850340 /nfs/dbraw/zinc/85/03/40/1069850340.db2.gz IAGSVEAEWFBEDM-QFIPXVFZSA-N 2 2 379.539 3.808 20 0 GHADLP COC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001231426108 1034575438 /nfs/dbraw/zinc/57/54/38/1034575438.db2.gz LQNUVMLZYCVCJE-NBHGPNQESA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001231426108 1034575442 /nfs/dbraw/zinc/57/54/42/1034575442.db2.gz LQNUVMLZYCVCJE-NBHGPNQESA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001231426108 1034575444 /nfs/dbraw/zinc/57/54/44/1034575444.db2.gz LQNUVMLZYCVCJE-NBHGPNQESA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001231426108 1034575447 /nfs/dbraw/zinc/57/54/47/1034575447.db2.gz LQNUVMLZYCVCJE-NBHGPNQESA-N 2 2 399.560 3.662 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC(C[NH+]3CCC(n4cc[nH+]c4)CC3)C2)CC1 ZINC001207807095 1034585134 /nfs/dbraw/zinc/58/51/34/1034585134.db2.gz CPSLLVCLPZNYJX-UHFFFAOYSA-N 2 2 388.556 3.947 20 0 GHADLP CCOC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cc1 ZINC001207825781 1034603314 /nfs/dbraw/zinc/60/33/14/1034603314.db2.gz ZTDRTRWZSRDVRG-LJQANCHMSA-N 2 2 399.535 3.960 20 0 GHADLP CCOC(=O)COc1ccc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cc1 ZINC001207825781 1034603318 /nfs/dbraw/zinc/60/33/18/1034603318.db2.gz ZTDRTRWZSRDVRG-LJQANCHMSA-N 2 2 399.535 3.960 20 0 GHADLP Cc1c(C)c(C)c(C[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)c(C)c1C ZINC001231492973 1034635983 /nfs/dbraw/zinc/63/59/83/1034635983.db2.gz IRKJLWMFQRNSGF-UHFFFAOYSA-N 2 2 395.595 3.864 20 0 GHADLP Cc1c(C)c(C)c(C[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)c(C)c1C ZINC001231492973 1034635994 /nfs/dbraw/zinc/63/59/94/1034635994.db2.gz IRKJLWMFQRNSGF-UHFFFAOYSA-N 2 2 395.595 3.864 20 0 GHADLP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCc3[nH+]cc(Cn4cccn4)n3CC2)cc1 ZINC001207939239 1034669536 /nfs/dbraw/zinc/66/95/36/1034669536.db2.gz GRQVDCKJFTUZRQ-HXUWFJFHSA-N 2 2 391.563 3.988 20 0 GHADLP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CCc3[nH+]cc(Cn4cccn4)n3CC2)cc1 ZINC001207939239 1034669543 /nfs/dbraw/zinc/66/95/43/1034669543.db2.gz GRQVDCKJFTUZRQ-HXUWFJFHSA-N 2 2 391.563 3.988 20 0 GHADLP CCc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)nc1 ZINC001231640947 1034799304 /nfs/dbraw/zinc/79/93/04/1034799304.db2.gz QCLUHAXAMMSQHT-UPVQGACJSA-N 2 2 383.580 3.605 20 0 GHADLP CCc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)nc1 ZINC001231640947 1034799317 /nfs/dbraw/zinc/79/93/17/1034799317.db2.gz QCLUHAXAMMSQHT-UPVQGACJSA-N 2 2 383.580 3.605 20 0 GHADLP CCc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)nc1 ZINC001231640947 1034799324 /nfs/dbraw/zinc/79/93/24/1034799324.db2.gz QCLUHAXAMMSQHT-UPVQGACJSA-N 2 2 383.580 3.605 20 0 GHADLP CCc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)nc1 ZINC001231640947 1034799328 /nfs/dbraw/zinc/79/93/28/1034799328.db2.gz QCLUHAXAMMSQHT-UPVQGACJSA-N 2 2 383.580 3.605 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](CC[C@H](C)CCCC(C)(C)OC)C2)C1 ZINC001208210448 1034802097 /nfs/dbraw/zinc/80/20/97/1034802097.db2.gz RXQHZCLWLQECLN-FYYLOGMGSA-N 2 2 398.632 3.669 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](CC[C@H](C)CCCC(C)(C)OC)C2)C1 ZINC001208210448 1034802105 /nfs/dbraw/zinc/80/21/05/1034802105.db2.gz RXQHZCLWLQECLN-FYYLOGMGSA-N 2 2 398.632 3.669 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](CC[C@H](C)CCCC(C)(C)OC)C2)C1 ZINC001208210448 1034802114 /nfs/dbraw/zinc/80/21/14/1034802114.db2.gz RXQHZCLWLQECLN-FYYLOGMGSA-N 2 2 398.632 3.669 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](CC[C@H](C)CCCC(C)(C)OC)C2)C1 ZINC001208210448 1034802122 /nfs/dbraw/zinc/80/21/22/1034802122.db2.gz RXQHZCLWLQECLN-FYYLOGMGSA-N 2 2 398.632 3.669 20 0 GHADLP CCOc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001231765461 1034897018 /nfs/dbraw/zinc/89/70/18/1034897018.db2.gz UXMUTDXZXINGGP-NYVOZVTQSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ncccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001231765461 1034897030 /nfs/dbraw/zinc/89/70/30/1034897030.db2.gz UXMUTDXZXINGGP-NYVOZVTQSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ncccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231765461 1034897035 /nfs/dbraw/zinc/89/70/35/1034897035.db2.gz UXMUTDXZXINGGP-NYVOZVTQSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ncccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231765461 1034897043 /nfs/dbraw/zinc/89/70/43/1034897043.db2.gz UXMUTDXZXINGGP-NYVOZVTQSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ncccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001231764739 1034897240 /nfs/dbraw/zinc/89/72/40/1034897240.db2.gz WKSFCRLASRCLSM-UHFFFAOYSA-N 2 2 395.547 3.656 20 0 GHADLP CCOc1ncccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001231764739 1034897246 /nfs/dbraw/zinc/89/72/46/1034897246.db2.gz WKSFCRLASRCLSM-UHFFFAOYSA-N 2 2 395.547 3.656 20 0 GHADLP c1csc(C[NH+]2CC[C@H]3C[N@H+](CC4CCN(c5ccccc5)CC4)CC[C@@H]32)n1 ZINC001208908830 1035084434 /nfs/dbraw/zinc/08/44/34/1035084434.db2.gz VMXWDXBXKWNJBS-UNMCSNQZSA-N 2 2 396.604 3.956 20 0 GHADLP c1csc(C[NH+]2CC[C@H]3C[N@@H+](CC4CCN(c5ccccc5)CC4)CC[C@@H]32)n1 ZINC001208908830 1035084441 /nfs/dbraw/zinc/08/44/41/1035084441.db2.gz VMXWDXBXKWNJBS-UNMCSNQZSA-N 2 2 396.604 3.956 20 0 GHADLP c1csc(C[N@H+]2CC[C@H]3C[NH+](CC4CCN(c5ccccc5)CC4)CC[C@@H]32)n1 ZINC001208908830 1035084451 /nfs/dbraw/zinc/08/44/51/1035084451.db2.gz VMXWDXBXKWNJBS-UNMCSNQZSA-N 2 2 396.604 3.956 20 0 GHADLP c1csc(C[N@@H+]2CC[C@H]3C[NH+](CC4CCN(c5ccccc5)CC4)CC[C@@H]32)n1 ZINC001208908830 1035084459 /nfs/dbraw/zinc/08/44/59/1035084459.db2.gz VMXWDXBXKWNJBS-UNMCSNQZSA-N 2 2 396.604 3.956 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCN(Cc4ccncc4)CC3)C2)cc1 ZINC001208931318 1035094147 /nfs/dbraw/zinc/09/41/47/1035094147.db2.gz JAAWZFZIIJNKKD-DEOSSOPVSA-N 2 2 378.564 3.502 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCN(Cc4ccncc4)CC3)C2)cc1 ZINC001208931318 1035094157 /nfs/dbraw/zinc/09/41/57/1035094157.db2.gz JAAWZFZIIJNKKD-DEOSSOPVSA-N 2 2 378.564 3.502 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCN(Cc4ccncc4)CC3)C2)cc1 ZINC001208931318 1035094170 /nfs/dbraw/zinc/09/41/70/1035094170.db2.gz JAAWZFZIIJNKKD-DEOSSOPVSA-N 2 2 378.564 3.502 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCN(Cc4ccncc4)CC3)C2)cc1 ZINC001208931318 1035094179 /nfs/dbraw/zinc/09/41/79/1035094179.db2.gz JAAWZFZIIJNKKD-DEOSSOPVSA-N 2 2 378.564 3.502 20 0 GHADLP CCCCN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001160921891 1035094201 /nfs/dbraw/zinc/09/42/01/1035094201.db2.gz PKFCKADYLZLTKJ-KBXCAEBGSA-N 2 2 396.457 3.558 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208937310 1035105023 /nfs/dbraw/zinc/10/50/23/1035105023.db2.gz RRUYATICJZVZTA-FDFHNCONSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208937310 1035105024 /nfs/dbraw/zinc/10/50/24/1035105024.db2.gz RRUYATICJZVZTA-FDFHNCONSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[NH+]2C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208937310 1035105026 /nfs/dbraw/zinc/10/50/26/1035105026.db2.gz RRUYATICJZVZTA-FDFHNCONSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[NH+]2C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208937310 1035105029 /nfs/dbraw/zinc/10/50/29/1035105029.db2.gz RRUYATICJZVZTA-FDFHNCONSA-N 2 2 399.579 3.982 20 0 GHADLP Clc1ccccc1C[NH+]1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208947784 1035119264 /nfs/dbraw/zinc/11/92/64/1035119264.db2.gz CXPNGWLODRXKAC-OAQYLSRUSA-N 2 2 383.967 3.980 20 0 GHADLP Clc1ccccc1C[NH+]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208947784 1035119267 /nfs/dbraw/zinc/11/92/67/1035119267.db2.gz CXPNGWLODRXKAC-OAQYLSRUSA-N 2 2 383.967 3.980 20 0 GHADLP Clc1ccccc1CN1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208947784 1035119275 /nfs/dbraw/zinc/11/92/75/1035119275.db2.gz CXPNGWLODRXKAC-OAQYLSRUSA-N 2 2 383.967 3.980 20 0 GHADLP Clc1ccccc1CN1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208947784 1035119279 /nfs/dbraw/zinc/11/92/79/1035119279.db2.gz CXPNGWLODRXKAC-OAQYLSRUSA-N 2 2 383.967 3.980 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](C[C@H]4CC[N@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208949688 1035120679 /nfs/dbraw/zinc/12/06/79/1035120679.db2.gz NJOLEESWUDAWRS-ISJGIBHGSA-N 3 2 375.560 3.572 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208949688 1035120685 /nfs/dbraw/zinc/12/06/85/1035120685.db2.gz NJOLEESWUDAWRS-ISJGIBHGSA-N 3 2 375.560 3.572 20 0 GHADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC001209104231 1035175082 /nfs/dbraw/zinc/17/50/82/1035175082.db2.gz XZCIUDBTCDDBJO-UHFFFAOYSA-N 2 2 376.516 3.655 20 0 GHADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC001209104231 1035175086 /nfs/dbraw/zinc/17/50/86/1035175086.db2.gz XZCIUDBTCDDBJO-UHFFFAOYSA-N 2 2 376.516 3.655 20 0 GHADLP FC(F)(F)c1cccc(CC[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001209117309 1035181210 /nfs/dbraw/zinc/18/12/10/1035181210.db2.gz UHBGXFOCYIHEFS-RTBURBONSA-N 2 2 375.438 3.707 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4c(cn3)OCCC4)C[C@@H]21 ZINC001209503113 1035294676 /nfs/dbraw/zinc/29/46/76/1035294676.db2.gz SKKBCANPHBUBMQ-AJSBUHFISA-N 2 2 392.547 3.534 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4c(cn3)OCCC4)C[C@@H]21 ZINC001209503113 1035294680 /nfs/dbraw/zinc/29/46/80/1035294680.db2.gz SKKBCANPHBUBMQ-AJSBUHFISA-N 2 2 392.547 3.534 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4c(cn3)OCCC4)C[C@@H]21 ZINC001209503113 1035294684 /nfs/dbraw/zinc/29/46/84/1035294684.db2.gz SKKBCANPHBUBMQ-AJSBUHFISA-N 2 2 392.547 3.534 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c(cn3)OCCC4)C[C@@H]21 ZINC001209503113 1035294687 /nfs/dbraw/zinc/29/46/87/1035294687.db2.gz SKKBCANPHBUBMQ-AJSBUHFISA-N 2 2 392.547 3.534 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4c(cn3)OCCC4)C[C@H]21 ZINC001209503119 1035294754 /nfs/dbraw/zinc/29/47/54/1035294754.db2.gz SKKBCANPHBUBMQ-WWPVKYPJSA-N 2 2 392.547 3.534 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4c(cn3)OCCC4)C[C@H]21 ZINC001209503119 1035294755 /nfs/dbraw/zinc/29/47/55/1035294755.db2.gz SKKBCANPHBUBMQ-WWPVKYPJSA-N 2 2 392.547 3.534 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4c(cn3)OCCC4)C[C@H]21 ZINC001209503119 1035294760 /nfs/dbraw/zinc/29/47/60/1035294760.db2.gz SKKBCANPHBUBMQ-WWPVKYPJSA-N 2 2 392.547 3.534 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c(cn3)OCCC4)C[C@H]21 ZINC001209503119 1035294765 /nfs/dbraw/zinc/29/47/65/1035294765.db2.gz SKKBCANPHBUBMQ-WWPVKYPJSA-N 2 2 392.547 3.534 20 0 GHADLP C[C@H]([NH2+][C@H](CC(N)=O)c1ccccc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001462057001 1069970544 /nfs/dbraw/zinc/97/05/44/1069970544.db2.gz AZGQXWAEKGEABD-YRISNDGFSA-N 2 2 385.939 3.757 20 0 GHADLP C[C@H]([NH2+][C@H](CC(N)=O)c1ccccc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462057001 1069970546 /nfs/dbraw/zinc/97/05/46/1069970546.db2.gz AZGQXWAEKGEABD-YRISNDGFSA-N 2 2 385.939 3.757 20 0 GHADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2Cl)C1 ZINC001248820540 1036181870 /nfs/dbraw/zinc/18/18/70/1036181870.db2.gz PVSBPNVWVLHPJV-HXUWFJFHSA-N 2 2 385.939 3.649 20 0 GHADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2Cl)C1 ZINC001248820540 1036181889 /nfs/dbraw/zinc/18/18/89/1036181889.db2.gz PVSBPNVWVLHPJV-HXUWFJFHSA-N 2 2 385.939 3.649 20 0 GHADLP Fc1cc(OCC[NH+]2CCOCC2)ccc1-c1cc(C[NH+]2CCCCC2)ccn1 ZINC001244136595 1036391717 /nfs/dbraw/zinc/39/17/17/1036391717.db2.gz UMPYOKDBHIRKAV-UHFFFAOYSA-N 2 2 399.510 3.585 20 0 GHADLP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1C(F)(F)F ZINC001244598405 1036558948 /nfs/dbraw/zinc/55/89/48/1036558948.db2.gz KQAMAOPBIIQEBC-MRXNPFEDSA-N 2 2 378.394 3.692 20 0 GHADLP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1C(F)(F)F ZINC001244598405 1036558971 /nfs/dbraw/zinc/55/89/71/1036558971.db2.gz KQAMAOPBIIQEBC-MRXNPFEDSA-N 2 2 378.394 3.692 20 0 GHADLP C[N@@H+]1CCc2oc(-c3ccc(C4=CC[C@H]([NH+]5CCOCC5)CC4)cc3)nc2C1 ZINC001245426158 1036919992 /nfs/dbraw/zinc/91/99/92/1036919992.db2.gz HYMUTAXBACOQAF-FQEVSTJZSA-N 2 2 379.504 3.598 20 0 GHADLP C[N@H+]1CCc2oc(-c3ccc(C4=CC[C@H]([NH+]5CCOCC5)CC4)cc3)nc2C1 ZINC001245426158 1036919993 /nfs/dbraw/zinc/91/99/93/1036919993.db2.gz HYMUTAXBACOQAF-FQEVSTJZSA-N 2 2 379.504 3.598 20 0 GHADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cc(C(F)(F)F)cc(Cl)c1F ZINC001245996789 1037116754 /nfs/dbraw/zinc/11/67/54/1037116754.db2.gz HFACOTAKBDVIPG-JKSUJKDBSA-N 2 2 390.808 3.518 20 0 GHADLP O[C@@H](C[NH2+][C@H]1C[C@@H]2C[NH2+][C@H]1C2)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001246013542 1037133274 /nfs/dbraw/zinc/13/32/74/1037133274.db2.gz FWMXRLVDFQSNQD-CLPJCENMSA-N 2 2 389.326 3.938 20 0 GHADLP COc1ccc2cc(CC[C@H](C)[NH2+]C[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)ccc2c1 ZINC001246149353 1037216276 /nfs/dbraw/zinc/21/62/76/1037216276.db2.gz UUPYEXJCHKOUPZ-PGRDOPGGSA-N 3 2 381.564 3.633 20 0 GHADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246206622 1037238939 /nfs/dbraw/zinc/23/89/39/1037238939.db2.gz JJDNKMJSLKFLBK-WBMJQRKESA-N 2 2 375.340 3.963 20 0 GHADLP O=C(OCc1ccccc1)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246214771 1037241905 /nfs/dbraw/zinc/24/19/05/1037241905.db2.gz SEBHUURHYRERGE-PKTZIBPZSA-N 2 2 392.543 3.853 20 0 GHADLP CCOC(=O)[C@@H]1C[C@H](n2c(C)c(CC[NH3+])c3c2cc(Cl)cc3Cl)CC[NH2+]1 ZINC001246255886 1037257314 /nfs/dbraw/zinc/25/73/14/1037257314.db2.gz DDNXNYHULYROGN-CJNGLKHVSA-N 2 2 398.334 3.614 20 0 GHADLP CC(C)[C@@H]1C[C@@H]([NH2+]C2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246436877 1037399416 /nfs/dbraw/zinc/39/94/16/1037399416.db2.gz MNWDHKNCOFRPRS-OALUTQOASA-N 3 2 383.502 3.736 20 0 GHADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001246528851 1037463174 /nfs/dbraw/zinc/46/31/74/1037463174.db2.gz ZIQMRARXJJLUSX-SCLBCKFNSA-N 2 2 380.410 3.713 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH+]2CCN(c3noc4ccccc43)CC2)CC[NH2+]1 ZINC001246529707 1037465060 /nfs/dbraw/zinc/46/50/60/1037465060.db2.gz UDLXBKBGFUAALN-RXVVDRJESA-N 2 2 394.494 3.891 20 0 GHADLP C(=C/c1ccccc1)\CN1CC[NH+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246535853 1037471105 /nfs/dbraw/zinc/47/11/05/1037471105.db2.gz MPMAAUTXWSLQKF-OYVZEWTCSA-N 2 2 375.560 3.681 20 0 GHADLP C[C@H]1CC([N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246653973 1037529393 /nfs/dbraw/zinc/52/93/93/1037529393.db2.gz GCHPYLYTBQRCOC-DUPRYPCISA-N 3 2 381.486 3.512 20 0 GHADLP C[C@H]1CC([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246653973 1037529402 /nfs/dbraw/zinc/52/94/02/1037529402.db2.gz GCHPYLYTBQRCOC-DUPRYPCISA-N 3 2 381.486 3.512 20 0 GHADLP CC1(C)C[C@@H]([NH+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001246659143 1037531517 /nfs/dbraw/zinc/53/15/17/1037531517.db2.gz WDQLYTBHRRKSPQ-BJLQDIEVSA-N 3 2 381.486 3.513 20 0 GHADLP CC1(C)C[C@@H]([NH+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC001246659143 1037531529 /nfs/dbraw/zinc/53/15/29/1037531529.db2.gz WDQLYTBHRRKSPQ-BJLQDIEVSA-N 3 2 381.486 3.513 20 0 GHADLP CC1(C)C[C@@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CC[NH+]1Cc1ccccc1 ZINC001246659143 1037531543 /nfs/dbraw/zinc/53/15/43/1037531543.db2.gz WDQLYTBHRRKSPQ-BJLQDIEVSA-N 3 2 381.486 3.513 20 0 GHADLP CC1(C)C[C@@H]([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CC[NH+]1Cc1ccccc1 ZINC001246659143 1037531554 /nfs/dbraw/zinc/53/15/54/1037531554.db2.gz WDQLYTBHRRKSPQ-BJLQDIEVSA-N 3 2 381.486 3.513 20 0 GHADLP C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H](CC(=O)NCC4CC4)c4ccccc43)CC2)C[NH2+]1 ZINC001246661010 1037533383 /nfs/dbraw/zinc/53/33/83/1037533383.db2.gz QQQKLOFSDPHWNZ-HMXCVIKNSA-N 2 2 395.591 3.564 20 0 GHADLP c1ccc([C@H]2C[C@@H]([NH+]3CCN(c4nsc5ccccc54)CC3)CC[NH2+]2)cc1 ZINC001246682903 1037545279 /nfs/dbraw/zinc/54/52/79/1037545279.db2.gz XHIAIJAFEYMUPS-AZUAARDMSA-N 2 2 378.545 3.912 20 0 GHADLP C(OC[C@H]1COCCC12CC[NH+]([C@@H]1CC[NH2+]C3(CCCCC3)C1)CC2)C1CC1 ZINC001246738140 1037582142 /nfs/dbraw/zinc/58/21/42/1037582142.db2.gz MBBWVDFPFSVBCB-FGZHOGPDSA-N 2 2 390.612 3.987 20 0 GHADLP COc1ccc(Cl)cc1N1CC[NH+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC001246831435 1037663408 /nfs/dbraw/zinc/66/34/08/1037663408.db2.gz FASYUNDTJFGRPQ-WOJBJXKFSA-N 2 2 385.939 3.964 20 0 GHADLP O=C1C[C@@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC001246941339 1037747881 /nfs/dbraw/zinc/74/78/81/1037747881.db2.gz ZRZILYQASMYOEZ-GOTSBHOMSA-N 2 2 395.522 3.571 20 0 GHADLP O=C1C[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC001246941339 1037747901 /nfs/dbraw/zinc/74/79/01/1037747901.db2.gz ZRZILYQASMYOEZ-GOTSBHOMSA-N 2 2 395.522 3.571 20 0 GHADLP Clc1ccc(Cl)c(-c2noc([C@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)c1 ZINC001247125868 1037936206 /nfs/dbraw/zinc/93/62/06/1037936206.db2.gz IXZGDWAXOMSISZ-CYBMUJFWSA-N 2 2 390.274 3.659 20 0 GHADLP CSc1ccc(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cn1 ZINC001232329675 1038110297 /nfs/dbraw/zinc/11/02/97/1038110297.db2.gz YQKWWTACPZKUQO-UHFFFAOYSA-N 2 2 394.544 3.982 20 0 GHADLP CSc1ccc(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cn1 ZINC001232329675 1038110301 /nfs/dbraw/zinc/11/03/01/1038110301.db2.gz YQKWWTACPZKUQO-UHFFFAOYSA-N 2 2 394.544 3.982 20 0 GHADLP CSc1ccc(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)cn1 ZINC001232329675 1038110308 /nfs/dbraw/zinc/11/03/08/1038110308.db2.gz YQKWWTACPZKUQO-UHFFFAOYSA-N 2 2 394.544 3.982 20 0 GHADLP CSc1ccc(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)cn1 ZINC001232329675 1038110314 /nfs/dbraw/zinc/11/03/14/1038110314.db2.gz YQKWWTACPZKUQO-UHFFFAOYSA-N 2 2 394.544 3.982 20 0 GHADLP Cc1ccc(CCc2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)c(C)[nH+]1 ZINC001247351708 1038146295 /nfs/dbraw/zinc/14/62/95/1038146295.db2.gz FXSUPCKWEVMTKJ-RVDMUPIBSA-N 2 2 375.476 3.995 20 0 GHADLP FC(F)(F)c1cc(Cl)ccc1-c1noc([C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001247860034 1038430421 /nfs/dbraw/zinc/43/04/21/1038430421.db2.gz KZQUBMSLFQSIBC-ZDUSSCGKSA-N 2 2 386.805 3.956 20 0 GHADLP c1ccc(COc2cccc(-c3noc([C@@H]4CCC5(CC[NH2+]CC5)[NH2+]4)n3)c2)cc1 ZINC001247861908 1038432571 /nfs/dbraw/zinc/43/25/71/1038432571.db2.gz SQONAHIPDFKJDD-FQEVSTJZSA-N 2 2 390.487 3.862 20 0 GHADLP Cc1ncsc1-c1ccc(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)cc1 ZINC001247866970 1038436383 /nfs/dbraw/zinc/43/63/83/1038436383.db2.gz CMBZFJLLSGSZMM-INIZCTEOSA-N 2 2 381.505 3.715 20 0 GHADLP COc1ccc(-c2ccc(-c3noc([C@H]4CCC5(CC[NH2+]CC5)[NH2+]4)n3)cc2)cc1 ZINC001247867668 1038437585 /nfs/dbraw/zinc/43/75/85/1038437585.db2.gz IOIWFLXRFNXYHE-HXUWFJFHSA-N 2 2 390.487 3.959 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2c[nH]c4cc(Cl)ncc24)CC3)n1 ZINC001232820706 1038574522 /nfs/dbraw/zinc/57/45/22/1038574522.db2.gz LYZJKSCMLKUBIW-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2c[nH]c4cc(Cl)ncc24)CC3)n1 ZINC001232820706 1038574529 /nfs/dbraw/zinc/57/45/29/1038574529.db2.gz LYZJKSCMLKUBIW-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC001252004225 1038806048 /nfs/dbraw/zinc/80/60/48/1038806048.db2.gz WOQDZLVCRPMFJN-FQEVSTJZSA-N 2 2 378.438 3.993 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3[nH]nc4cc(F)ccc43)C[C@H]21 ZINC001233124724 1038911616 /nfs/dbraw/zinc/91/16/16/1038911616.db2.gz OMLKRPLGXLKIFF-LERMDLETSA-N 2 2 393.510 3.830 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3[nH]nc4cc(F)ccc43)C[C@H]21 ZINC001233124724 1038911619 /nfs/dbraw/zinc/91/16/19/1038911619.db2.gz OMLKRPLGXLKIFF-LERMDLETSA-N 2 2 393.510 3.830 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3[nH]nc4cc(F)ccc43)C[C@H]21 ZINC001233124724 1038911624 /nfs/dbraw/zinc/91/16/24/1038911624.db2.gz OMLKRPLGXLKIFF-LERMDLETSA-N 2 2 393.510 3.830 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3[nH]nc4cc(F)ccc43)C[C@H]21 ZINC001233124724 1038911626 /nfs/dbraw/zinc/91/16/26/1038911626.db2.gz OMLKRPLGXLKIFF-LERMDLETSA-N 2 2 393.510 3.830 20 0 GHADLP CC[N@H+](Cc1cccc(OC)c1NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001233127470 1038912953 /nfs/dbraw/zinc/91/29/53/1038912953.db2.gz FTKNUGYFHNXADO-UHFFFAOYSA-N 2 2 377.529 3.958 20 0 GHADLP CC[N@@H+](Cc1cccc(OC)c1NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001233127470 1038912954 /nfs/dbraw/zinc/91/29/54/1038912954.db2.gz FTKNUGYFHNXADO-UHFFFAOYSA-N 2 2 377.529 3.958 20 0 GHADLP Cc1cc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[nH+]c(C)c1Br ZINC001252916009 1039254863 /nfs/dbraw/zinc/25/48/63/1039254863.db2.gz MGTFTUCHJRLTDW-IBGZPJMESA-N 2 2 390.325 3.510 20 0 GHADLP Cc1cc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[nH+]c(C)c1Br ZINC001252916009 1039254870 /nfs/dbraw/zinc/25/48/70/1039254870.db2.gz MGTFTUCHJRLTDW-IBGZPJMESA-N 2 2 390.325 3.510 20 0 GHADLP CCCC[C@@H](CC)COC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001253028308 1039361167 /nfs/dbraw/zinc/36/11/67/1039361167.db2.gz CKKLJUFUOWNYMF-AUSIDOKSSA-N 2 2 392.584 3.540 20 0 GHADLP COc1ccccc1O[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)C1 ZINC001234058746 1039792556 /nfs/dbraw/zinc/79/25/56/1039792556.db2.gz NGPXHNDAYRMBQU-GOSISDBHSA-N 2 2 379.460 3.543 20 0 GHADLP COc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)C1 ZINC001234058746 1039792567 /nfs/dbraw/zinc/79/25/67/1039792567.db2.gz NGPXHNDAYRMBQU-GOSISDBHSA-N 2 2 379.460 3.543 20 0 GHADLP CCCc1noc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)c(OC)c3)CC2)n1 ZINC001234075623 1039814112 /nfs/dbraw/zinc/81/41/12/1039814112.db2.gz MHOKKHXVXNYCTC-UHFFFAOYSA-N 2 2 381.480 3.596 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@H](Oc3ncccc3C)C2)ccc1-n1cc[nH+]c1 ZINC001234085738 1039823579 /nfs/dbraw/zinc/82/35/79/1039823579.db2.gz VZRBCHOAUFYMJE-IBGZPJMESA-N 2 2 378.476 3.628 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@H](Oc3ncccc3C)C2)ccc1-n1cc[nH+]c1 ZINC001234085738 1039823604 /nfs/dbraw/zinc/82/36/04/1039823604.db2.gz VZRBCHOAUFYMJE-IBGZPJMESA-N 2 2 378.476 3.628 20 0 GHADLP COc1cc(C[NH+]2CCC3(CC[C@H](COC(C)=O)C3)CC2)ccc1-n1cc[nH+]c1 ZINC001234085128 1039826149 /nfs/dbraw/zinc/82/61/49/1039826149.db2.gz NBGVLWRXRWYLQP-FQEVSTJZSA-N 2 2 397.519 3.826 20 0 GHADLP CN(C(=O)OC(C)(C)C)c1ncc(C[NH+]2CCC(n3cc[nH+]c3)CC2)s1 ZINC001234389044 1039995765 /nfs/dbraw/zinc/99/57/65/1039995765.db2.gz DYDQXSXKQNXGLM-UHFFFAOYSA-N 2 2 377.514 3.548 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001254293601 1040144406 /nfs/dbraw/zinc/14/44/06/1040144406.db2.gz ZCCFUAMVYMOTEV-LJQANCHMSA-N 2 2 388.556 3.677 20 0 GHADLP CCOC(OCC)c1ccc(C[NH+]2CCC([N@H+](CC)[C@H]3CCOC3)CC2)cc1 ZINC001234893074 1040405749 /nfs/dbraw/zinc/40/57/49/1040405749.db2.gz XHUIFUDBINVQLB-QFIPXVFZSA-N 2 2 390.568 3.833 20 0 GHADLP CCOC(OCC)c1ccc(C[NH+]2CCC([N@@H+](CC)[C@H]3CCOC3)CC2)cc1 ZINC001234893074 1040405761 /nfs/dbraw/zinc/40/57/61/1040405761.db2.gz XHUIFUDBINVQLB-QFIPXVFZSA-N 2 2 390.568 3.833 20 0 GHADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2cccc(Cl)c2nc1Cl ZINC001278801976 1040435791 /nfs/dbraw/zinc/43/57/91/1040435791.db2.gz CZMVGANCVQREBV-CALCHBBNSA-N 2 2 393.362 3.752 20 0 GHADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2cccc(Cl)c2nc1Cl ZINC001278801976 1040435796 /nfs/dbraw/zinc/43/57/96/1040435796.db2.gz CZMVGANCVQREBV-CALCHBBNSA-N 2 2 393.362 3.752 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1cc3ccccc3n1C)CC2 ZINC001235019288 1040509069 /nfs/dbraw/zinc/50/90/69/1040509069.db2.gz MHLFHNUBAIBKDW-UHFFFAOYSA-N 2 2 375.516 3.824 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1cc3ccccc3n1C)CC2 ZINC001235019288 1040509085 /nfs/dbraw/zinc/50/90/85/1040509085.db2.gz MHLFHNUBAIBKDW-UHFFFAOYSA-N 2 2 375.516 3.824 20 0 GHADLP CC[N@H+](Cc1ccc(-n2ccnc2)c(Br)c1)C1CC[NH+](C)CC1 ZINC001235026504 1040518920 /nfs/dbraw/zinc/51/89/20/1040518920.db2.gz CEZMZUPQSKXMBE-UHFFFAOYSA-N 2 2 377.330 3.551 20 0 GHADLP CC[N@@H+](Cc1ccc(-n2ccnc2)c(Br)c1)C1CC[NH+](C)CC1 ZINC001235026504 1040518944 /nfs/dbraw/zinc/51/89/44/1040518944.db2.gz CEZMZUPQSKXMBE-UHFFFAOYSA-N 2 2 377.330 3.551 20 0 GHADLP FC(F)(F)c1ccc(-c2ccc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)o2)c(Cl)c1 ZINC001235059006 1040549445 /nfs/dbraw/zinc/54/94/45/1040549445.db2.gz CAQRTZVUAMFCHA-SFHVURJKSA-N 2 2 399.844 3.756 20 0 GHADLP FC(F)(F)c1ccc(-c2ccc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)o2)c(Cl)c1 ZINC001235059006 1040549460 /nfs/dbraw/zinc/54/94/60/1040549460.db2.gz CAQRTZVUAMFCHA-SFHVURJKSA-N 2 2 399.844 3.756 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]21 ZINC001254798530 1040560789 /nfs/dbraw/zinc/56/07/89/1040560789.db2.gz SBMXYUQQARCTLJ-UYAOXDASSA-N 2 2 391.600 3.972 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]21 ZINC001254798530 1040560802 /nfs/dbraw/zinc/56/08/02/1040560802.db2.gz SBMXYUQQARCTLJ-UYAOXDASSA-N 2 2 391.600 3.972 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]21 ZINC001254798530 1040560819 /nfs/dbraw/zinc/56/08/19/1040560819.db2.gz SBMXYUQQARCTLJ-UYAOXDASSA-N 2 2 391.600 3.972 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]21 ZINC001254798530 1040560836 /nfs/dbraw/zinc/56/08/36/1040560836.db2.gz SBMXYUQQARCTLJ-UYAOXDASSA-N 2 2 391.600 3.972 20 0 GHADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2cccc(N3CCOCC3)c2)CC1 ZINC001235087108 1040575959 /nfs/dbraw/zinc/57/59/59/1040575959.db2.gz WUCPLJMRFBKJQT-UHFFFAOYSA-N 2 2 397.538 3.759 20 0 GHADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2cccc(N3CCOCC3)c2)CC1 ZINC001235087108 1040575964 /nfs/dbraw/zinc/57/59/64/1040575964.db2.gz WUCPLJMRFBKJQT-UHFFFAOYSA-N 2 2 397.538 3.759 20 0 GHADLP C[C@@H](c1nccc2ccccc21)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462480060 1070288588 /nfs/dbraw/zinc/28/85/88/1070288588.db2.gz NWWXHHYGENGPPM-YADARESESA-N 2 2 375.516 3.865 20 0 GHADLP C[C@@H](c1nccc2ccccc21)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462480060 1070288596 /nfs/dbraw/zinc/28/85/96/1070288596.db2.gz NWWXHHYGENGPPM-YADARESESA-N 2 2 375.516 3.865 20 0 GHADLP C[C@@H](c1nccc2ccccc21)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001462480060 1070288602 /nfs/dbraw/zinc/28/86/02/1070288602.db2.gz NWWXHHYGENGPPM-YADARESESA-N 2 2 375.516 3.865 20 0 GHADLP C[C@@H](c1nccc2ccccc21)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001462480060 1070288612 /nfs/dbraw/zinc/28/86/12/1070288612.db2.gz NWWXHHYGENGPPM-YADARESESA-N 2 2 375.516 3.865 20 0 GHADLP Cc1ccc(I)cc1C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235192149 1040681721 /nfs/dbraw/zinc/68/17/21/1040681721.db2.gz XQVKRFQXKMIUJX-UHFFFAOYSA-N 2 2 384.305 3.708 20 0 GHADLP Cc1ccc(I)cc1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235192149 1040681732 /nfs/dbraw/zinc/68/17/32/1040681732.db2.gz XQVKRFQXKMIUJX-UHFFFAOYSA-N 2 2 384.305 3.708 20 0 GHADLP CCCC[NH+](CCCC)CC[NH2+]C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001254993210 1040713902 /nfs/dbraw/zinc/71/39/02/1040713902.db2.gz MWDRWKBKSQVPPV-CWAQXLGLSA-N 2 2 387.612 3.910 20 0 GHADLP COc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC001255104915 1040785031 /nfs/dbraw/zinc/78/50/31/1040785031.db2.gz LQXRECRTZGYGKR-DEOSSOPVSA-N 2 2 393.575 3.566 20 0 GHADLP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC001255103987 1040786179 /nfs/dbraw/zinc/78/61/79/1040786179.db2.gz AGXZOOACDLAYMT-LUBQAEIYSA-N 2 2 395.550 3.837 20 0 GHADLP CCOC(=O)c1ccnc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001255123945 1040814330 /nfs/dbraw/zinc/81/43/30/1040814330.db2.gz GLUBEANLNQFCHJ-MMVMTREESA-N 2 2 379.504 3.544 20 0 GHADLP CCOC(=O)c1ccnc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255123945 1040814351 /nfs/dbraw/zinc/81/43/51/1040814351.db2.gz GLUBEANLNQFCHJ-MMVMTREESA-N 2 2 379.504 3.544 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001255128094 1040820206 /nfs/dbraw/zinc/82/02/06/1040820206.db2.gz KSAGGGUOSORARW-WKCHPHFGSA-N 2 2 379.504 3.544 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001255128094 1040820227 /nfs/dbraw/zinc/82/02/27/1040820227.db2.gz KSAGGGUOSORARW-WKCHPHFGSA-N 2 2 379.504 3.544 20 0 GHADLP CCOC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccnc1 ZINC001255129492 1040821903 /nfs/dbraw/zinc/82/19/03/1040821903.db2.gz ZSBDGWFRICVJIN-GPJHCHHRSA-N 2 2 393.531 3.861 20 0 GHADLP CCOC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccnc1 ZINC001255129492 1040821923 /nfs/dbraw/zinc/82/19/23/1040821923.db2.gz ZSBDGWFRICVJIN-GPJHCHHRSA-N 2 2 393.531 3.861 20 0 GHADLP COC(=O)CC[N@H+](Cc1ccco1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255144709 1040858644 /nfs/dbraw/zinc/85/86/44/1040858644.db2.gz VSGACVUNRUHNAV-WKCHPHFGSA-N 2 2 382.504 3.840 20 0 GHADLP COC(=O)CC[N@@H+](Cc1ccco1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255144709 1040858658 /nfs/dbraw/zinc/85/86/58/1040858658.db2.gz VSGACVUNRUHNAV-WKCHPHFGSA-N 2 2 382.504 3.840 20 0 GHADLP COC(=O)CC[NH+](Cc1ccco1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255144709 1040858678 /nfs/dbraw/zinc/85/86/78/1040858678.db2.gz VSGACVUNRUHNAV-WKCHPHFGSA-N 2 2 382.504 3.840 20 0 GHADLP COC(=O)CC[NH+](Cc1ccco1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255144709 1040858696 /nfs/dbraw/zinc/85/86/96/1040858696.db2.gz VSGACVUNRUHNAV-WKCHPHFGSA-N 2 2 382.504 3.840 20 0 GHADLP Cc1cc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc[nH+]1 ZINC001255150579 1040866600 /nfs/dbraw/zinc/86/66/00/1040866600.db2.gz NSLIRPQQJNCACN-UBRQYEGLSA-N 3 2 376.548 3.708 20 0 GHADLP Cc1cc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc[nH+]1 ZINC001255150579 1040866722 /nfs/dbraw/zinc/86/67/22/1040866722.db2.gz NSLIRPQQJNCACN-UBRQYEGLSA-N 3 2 376.548 3.708 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235379317 1040898732 /nfs/dbraw/zinc/89/87/32/1040898732.db2.gz NYPRBYPURZBCSY-CAOCKLPOSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235379317 1040898761 /nfs/dbraw/zinc/89/87/61/1040898761.db2.gz NYPRBYPURZBCSY-CAOCKLPOSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235379317 1040898765 /nfs/dbraw/zinc/89/87/65/1040898765.db2.gz NYPRBYPURZBCSY-CAOCKLPOSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235379317 1040898780 /nfs/dbraw/zinc/89/87/80/1040898780.db2.gz NYPRBYPURZBCSY-CAOCKLPOSA-N 3 2 375.560 3.588 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(Cl)c1OC ZINC001235380857 1040901192 /nfs/dbraw/zinc/90/11/92/1040901192.db2.gz QPDBLHMQQWTUGC-GCJKJVERSA-N 2 2 386.923 3.936 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(Cl)c1OC ZINC001235380857 1040901202 /nfs/dbraw/zinc/90/12/02/1040901202.db2.gz QPDBLHMQQWTUGC-GCJKJVERSA-N 2 2 386.923 3.936 20 0 GHADLP CCOc1cc(O)cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001235398719 1040912196 /nfs/dbraw/zinc/91/21/96/1040912196.db2.gz TZOKOTMZBMFWQY-IGKWTDBASA-N 2 2 395.547 3.918 20 0 GHADLP CCOc1cc(O)cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001235398719 1040912197 /nfs/dbraw/zinc/91/21/97/1040912197.db2.gz TZOKOTMZBMFWQY-IGKWTDBASA-N 2 2 395.547 3.918 20 0 GHADLP CCOc1cc(O)cc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001235398719 1040912206 /nfs/dbraw/zinc/91/22/06/1040912206.db2.gz TZOKOTMZBMFWQY-IGKWTDBASA-N 2 2 395.547 3.918 20 0 GHADLP CCOc1cc(O)cc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001235398719 1040912210 /nfs/dbraw/zinc/91/22/10/1040912210.db2.gz TZOKOTMZBMFWQY-IGKWTDBASA-N 2 2 395.547 3.918 20 0 GHADLP Clc1cnc(C[NH+]2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)c(Cl)c1 ZINC001278858757 1040948300 /nfs/dbraw/zinc/94/83/00/1040948300.db2.gz CABBBDCQSMAXAW-UHFFFAOYSA-N 2 2 394.350 3.990 20 0 GHADLP Clc1cnc(C[NH+]2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)c(Cl)c1 ZINC001278858757 1040948305 /nfs/dbraw/zinc/94/83/05/1040948305.db2.gz CABBBDCQSMAXAW-UHFFFAOYSA-N 2 2 394.350 3.990 20 0 GHADLP O=c1cccc(C[NH+]2CC3(C2)CC[NH+](Cc2ncc(Cl)cc2Cl)CC3)[nH]1 ZINC001278859343 1040950797 /nfs/dbraw/zinc/95/07/97/1040950797.db2.gz ZKRQAGKOYPUTLG-UHFFFAOYSA-N 2 2 393.318 3.587 20 0 GHADLP COc1cncc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c1C ZINC001235466388 1040951359 /nfs/dbraw/zinc/95/13/59/1040951359.db2.gz PTUKDUIRNBLDMC-UHFFFAOYSA-N 2 2 382.895 3.922 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001255381943 1040973171 /nfs/dbraw/zinc/97/31/71/1040973171.db2.gz ABKAYQCJACPMLR-RUZDIDTESA-N 3 2 393.575 3.663 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001255381943 1040973172 /nfs/dbraw/zinc/97/31/72/1040973172.db2.gz ABKAYQCJACPMLR-RUZDIDTESA-N 3 2 393.575 3.663 20 0 GHADLP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001255398607 1040984644 /nfs/dbraw/zinc/98/46/44/1040984644.db2.gz LCGLBNLJXXJVHU-TZIWHRDSSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001255398607 1040984646 /nfs/dbraw/zinc/98/46/46/1040984646.db2.gz LCGLBNLJXXJVHU-TZIWHRDSSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001255398607 1040984651 /nfs/dbraw/zinc/98/46/51/1040984651.db2.gz LCGLBNLJXXJVHU-TZIWHRDSSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001255398607 1040984657 /nfs/dbraw/zinc/98/46/57/1040984657.db2.gz LCGLBNLJXXJVHU-TZIWHRDSSA-N 2 2 387.568 3.982 20 0 GHADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC2(CC[NH+](Cc3cccs3)CC2)CC1 ZINC001235573427 1040994524 /nfs/dbraw/zinc/99/45/24/1040994524.db2.gz AEAXVHUFAFRLJY-OAQYLSRUSA-N 3 2 383.605 3.996 20 0 GHADLP Cc1ccnc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1Cl ZINC001235582425 1040998310 /nfs/dbraw/zinc/99/83/10/1040998310.db2.gz XYOGMYRBGBJZPA-UHFFFAOYSA-N 2 2 391.968 3.972 20 0 GHADLP Cc1ccnc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1Cl ZINC001235582425 1040998328 /nfs/dbraw/zinc/99/83/28/1040998328.db2.gz XYOGMYRBGBJZPA-UHFFFAOYSA-N 2 2 391.968 3.972 20 0 GHADLP O=C(C[C@@H]1CC2(CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)c2ccccc21)NC1CCC1 ZINC001235598336 1041011639 /nfs/dbraw/zinc/01/16/39/1041011639.db2.gz XMNZZYCVUYHVHP-TZIWHRDSSA-N 2 2 395.591 3.708 20 0 GHADLP FC(F)(F)C1CCC(N(c2cccc[nH+]2)[C@@H]2COC3(C2)CC[NH2+]CC3)CC1 ZINC001255517210 1041104701 /nfs/dbraw/zinc/10/47/01/1041104701.db2.gz XMVODGHQZSKGFQ-JCYILVPMSA-N 2 2 383.458 3.920 20 0 GHADLP Oc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1OC(F)(F)F ZINC001235671686 1041128725 /nfs/dbraw/zinc/12/87/25/1041128725.db2.gz XEEXPJZDOBVGGI-QZTJIDSGSA-N 2 2 392.421 3.855 20 0 GHADLP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2cc3c(s2)C[NH2+]CC3)CC1 ZINC001235672911 1041131434 /nfs/dbraw/zinc/13/14/34/1041131434.db2.gz JEWHBTIZQQHKNW-UHFFFAOYSA-N 3 2 398.963 3.918 20 0 GHADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC001255579993 1041141635 /nfs/dbraw/zinc/14/16/35/1041141635.db2.gz FZUMUEQQIVPDCP-JOCHJYFZSA-N 2 2 380.536 3.917 20 0 GHADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC001255579993 1041141651 /nfs/dbraw/zinc/14/16/51/1041141651.db2.gz FZUMUEQQIVPDCP-JOCHJYFZSA-N 2 2 380.536 3.917 20 0 GHADLP FC(F)(F)c1ccc(CN2CC[NH+](C3CC[NH2+]CC3)CC2)c(C(F)(F)F)c1 ZINC001235699972 1041175364 /nfs/dbraw/zinc/17/53/64/1041175364.db2.gz VSIGANNTFQXRNH-UHFFFAOYSA-N 2 2 395.391 3.594 20 0 GHADLP COCC[N@H+](C)[C@H](CNC1C[C@H]2CCC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC001255677909 1041210375 /nfs/dbraw/zinc/21/03/75/1041210375.db2.gz ZUYXDLQMLXUAAH-OTYNDTSQSA-N 2 2 379.976 3.564 20 0 GHADLP COCC[N@@H+](C)[C@H](CNC1C[C@H]2CCC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC001255677909 1041210392 /nfs/dbraw/zinc/21/03/92/1041210392.db2.gz ZUYXDLQMLXUAAH-OTYNDTSQSA-N 2 2 379.976 3.564 20 0 GHADLP CC1([NH+]2CCN(Cc3ccc(F)cc3OCc3ccccc3)CC2)CC[NH2+]CC1 ZINC001235821625 1041338158 /nfs/dbraw/zinc/33/81/58/1041338158.db2.gz KRXFSQWFMFHKSL-UHFFFAOYSA-N 2 2 397.538 3.664 20 0 GHADLP CC1([NH+]2CCN(Cc3ccc(OCc4ccccc4)cc3F)CC2)CC[NH2+]CC1 ZINC001235823388 1041340662 /nfs/dbraw/zinc/34/06/62/1041340662.db2.gz YKYREGHVDRERMZ-UHFFFAOYSA-N 2 2 397.538 3.664 20 0 GHADLP Oc1cc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)ccc1Br ZINC001235977059 1041482591 /nfs/dbraw/zinc/48/25/91/1041482591.db2.gz HKVQJMNGOOKDLR-UHFFFAOYSA-N 2 2 387.321 3.792 20 0 GHADLP Oc1cc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)ccc1Br ZINC001235977059 1041482596 /nfs/dbraw/zinc/48/25/96/1041482596.db2.gz HKVQJMNGOOKDLR-UHFFFAOYSA-N 2 2 387.321 3.792 20 0 GHADLP CCCOc1ccc(Br)c(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1F ZINC001236005612 1041496653 /nfs/dbraw/zinc/49/66/53/1041496653.db2.gz KUOIJOGASAHWEX-UHFFFAOYSA-N 2 2 385.321 3.953 20 0 GHADLP c1ccc(COc2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)nc2)cc1 ZINC001236010764 1041503416 /nfs/dbraw/zinc/50/34/16/1041503416.db2.gz PBZXFBDMKDGYME-RDGATRHJSA-N 2 2 385.511 3.634 20 0 GHADLP c1ccc(COc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)nc2)cc1 ZINC001236010764 1041503429 /nfs/dbraw/zinc/50/34/29/1041503429.db2.gz PBZXFBDMKDGYME-RDGATRHJSA-N 2 2 385.511 3.634 20 0 GHADLP C[C@@H]([C@@H](Oc1ccccc1)c1ccccc1)[N@H+](C)Cc1cnc2n1CC[NH2+]C2 ZINC001236161745 1041582524 /nfs/dbraw/zinc/58/25/24/1041582524.db2.gz RZIKAKOTFXPVMZ-FDDCHVKYSA-N 2 2 376.504 3.627 20 0 GHADLP C[C@@H]([C@@H](Oc1ccccc1)c1ccccc1)[N@@H+](C)Cc1cnc2n1CC[NH2+]C2 ZINC001236161745 1041582539 /nfs/dbraw/zinc/58/25/39/1041582539.db2.gz RZIKAKOTFXPVMZ-FDDCHVKYSA-N 2 2 376.504 3.627 20 0 GHADLP Cc1cc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc(C)c1I ZINC001236240817 1041640232 /nfs/dbraw/zinc/64/02/32/1041640232.db2.gz PGDKHZDWTRMXJB-MRXNPFEDSA-N 2 2 384.305 3.624 20 0 GHADLP Cc1cc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc(C)c1I ZINC001236240817 1041640237 /nfs/dbraw/zinc/64/02/37/1041640237.db2.gz PGDKHZDWTRMXJB-MRXNPFEDSA-N 2 2 384.305 3.624 20 0 GHADLP C[NH+]1CCC(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1 ZINC001256207404 1041649521 /nfs/dbraw/zinc/64/95/21/1041649521.db2.gz IGEJRBSVYGHGJD-UHFFFAOYSA-N 2 2 385.502 3.766 20 0 GHADLP CCOc1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(Br)cn1 ZINC001236377293 1041688739 /nfs/dbraw/zinc/68/87/39/1041688739.db2.gz YPDRHTHUAQHGHU-OAHLLOKOSA-N 2 2 396.373 3.987 20 0 GHADLP CCOc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(Br)cn1 ZINC001236377293 1041688743 /nfs/dbraw/zinc/68/87/43/1041688743.db2.gz YPDRHTHUAQHGHU-OAHLLOKOSA-N 2 2 396.373 3.987 20 0 GHADLP Cc1cc(N2CC[NH+](C3CCN(c4ccc(Cl)cc4)CC3)CC2)nc(C)[nH+]1 ZINC001256312738 1041697997 /nfs/dbraw/zinc/69/79/97/1041697997.db2.gz PYDMYHPAKFBUNM-UHFFFAOYSA-N 2 2 385.943 3.538 20 0 GHADLP O=C(C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC001462559158 1070361679 /nfs/dbraw/zinc/36/16/79/1070361679.db2.gz RZEVMBJILJEDIS-IERDGZPVSA-N 2 2 385.458 3.861 20 0 GHADLP O=C(C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC001462559158 1070361706 /nfs/dbraw/zinc/36/17/06/1070361706.db2.gz RZEVMBJILJEDIS-IERDGZPVSA-N 2 2 385.458 3.861 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[N@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)c1C ZINC001236441164 1041712695 /nfs/dbraw/zinc/71/26/95/1041712695.db2.gz SEAPWDXMKSOHPB-UHFFFAOYSA-N 2 2 399.535 3.571 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[N@@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)c1C ZINC001236441164 1041712698 /nfs/dbraw/zinc/71/26/98/1041712698.db2.gz SEAPWDXMKSOHPB-UHFFFAOYSA-N 2 2 399.535 3.571 20 0 GHADLP CCOCC[N@H+](Cc1cc(Cl)c(OCC)c(Cl)c1)C1CC[NH2+]CC1 ZINC001236460615 1041722262 /nfs/dbraw/zinc/72/22/62/1041722262.db2.gz GKENGEDWFAVHEH-UHFFFAOYSA-N 2 2 375.340 3.983 20 0 GHADLP CCOCC[N@@H+](Cc1cc(Cl)c(OCC)c(Cl)c1)C1CC[NH2+]CC1 ZINC001236460615 1041722269 /nfs/dbraw/zinc/72/22/69/1041722269.db2.gz GKENGEDWFAVHEH-UHFFFAOYSA-N 2 2 375.340 3.983 20 0 GHADLP CC(C)(C)C[N@H+](Cc1nc2cc(Br)ccc2[nH]1)C1CC[NH2+]CC1 ZINC001236459544 1041722481 /nfs/dbraw/zinc/72/24/81/1041722481.db2.gz UHWLNUBTZNCFCD-UHFFFAOYSA-N 2 2 379.346 3.926 20 0 GHADLP CC(C)(C)C[N@@H+](Cc1nc2cc(Br)ccc2[nH]1)C1CC[NH2+]CC1 ZINC001236459544 1041722488 /nfs/dbraw/zinc/72/24/88/1041722488.db2.gz UHWLNUBTZNCFCD-UHFFFAOYSA-N 2 2 379.346 3.926 20 0 GHADLP CC[C@@H](CCC(=O)OC)C[N@H+](Cc1c(F)cc(F)cc1F)C1CC[NH2+]CC1 ZINC001236493775 1041739198 /nfs/dbraw/zinc/73/91/98/1041739198.db2.gz FDNHXWYNUVJTEU-AWEZNQCLSA-N 2 2 386.458 3.637 20 0 GHADLP CC[C@@H](CCC(=O)OC)C[N@@H+](Cc1c(F)cc(F)cc1F)C1CC[NH2+]CC1 ZINC001236493775 1041739202 /nfs/dbraw/zinc/73/92/02/1041739202.db2.gz FDNHXWYNUVJTEU-AWEZNQCLSA-N 2 2 386.458 3.637 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256457920 1041740751 /nfs/dbraw/zinc/74/07/51/1041740751.db2.gz RSFCCGCSWQTCTM-IEBWSBKVSA-N 2 2 388.556 3.676 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CCN1C(=O)OC(C)(C)C ZINC001256464289 1041744895 /nfs/dbraw/zinc/74/48/95/1041744895.db2.gz XQVNRNVOZWYSMB-SJORKVTESA-N 2 2 391.531 3.864 20 0 GHADLP COc1ccc(C[N@H+](Cc2ccc3cccc(O)c3n2)C2CC[NH2+]CC2)cc1F ZINC001236515062 1041748688 /nfs/dbraw/zinc/74/86/88/1041748688.db2.gz HMGFLDRAESEBJO-UHFFFAOYSA-N 2 2 395.478 3.842 20 0 GHADLP COc1ccc(C[N@@H+](Cc2ccc3cccc(O)c3n2)C2CC[NH2+]CC2)cc1F ZINC001236515062 1041748693 /nfs/dbraw/zinc/74/86/93/1041748693.db2.gz HMGFLDRAESEBJO-UHFFFAOYSA-N 2 2 395.478 3.842 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2cc(F)cc4c2OCCC4)CC3)n1 ZINC001236619712 1041787033 /nfs/dbraw/zinc/78/70/33/1041787033.db2.gz POJFVACUMJQMHW-UHFFFAOYSA-N 2 2 398.526 3.515 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2cc(F)cc4c2OCCC4)CC3)n1 ZINC001236619712 1041787036 /nfs/dbraw/zinc/78/70/36/1041787036.db2.gz POJFVACUMJQMHW-UHFFFAOYSA-N 2 2 398.526 3.515 20 0 GHADLP COc1ccc2sc(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)cc2c1 ZINC001236657895 1041808315 /nfs/dbraw/zinc/80/83/15/1041808315.db2.gz LGJBQKCXMNMKPI-QZTJIDSGSA-N 2 2 379.529 3.869 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc4ccccc4cc3OC)CC2)C1 ZINC001236681035 1041827185 /nfs/dbraw/zinc/82/71/85/1041827185.db2.gz ZOHZCDMMWHNQQH-HXUWFJFHSA-N 2 2 396.531 3.698 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc4ccccc4cc3OC)CC2)C1 ZINC001236681035 1041827190 /nfs/dbraw/zinc/82/71/90/1041827190.db2.gz ZOHZCDMMWHNQQH-HXUWFJFHSA-N 2 2 396.531 3.698 20 0 GHADLP Cc1cccc(C[N@H+](Cc2n[nH]cc2Br)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236729057 1041861676 /nfs/dbraw/zinc/86/16/76/1041861676.db2.gz KXILBZGAKSAADG-WKILWMFISA-N 2 2 377.330 3.753 20 0 GHADLP Cc1cccc(C[N@@H+](Cc2n[nH]cc2Br)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236729057 1041861682 /nfs/dbraw/zinc/86/16/82/1041861682.db2.gz KXILBZGAKSAADG-WKILWMFISA-N 2 2 377.330 3.753 20 0 GHADLP CCOc1cncc(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)c1 ZINC001236836753 1041923649 /nfs/dbraw/zinc/92/36/49/1041923649.db2.gz BXBQGGIPLHFOIO-UHFFFAOYSA-N 2 2 384.524 3.716 20 0 GHADLP CCOc1cncc(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)c1 ZINC001236836753 1041923651 /nfs/dbraw/zinc/92/36/51/1041923651.db2.gz BXBQGGIPLHFOIO-UHFFFAOYSA-N 2 2 384.524 3.716 20 0 GHADLP O=C(NC1CCC1)[C@H]1C[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C[C@H]2C1 ZINC001236906955 1041949994 /nfs/dbraw/zinc/94/99/94/1041949994.db2.gz YHNXMSFCHBTPMS-NNZMDNLPSA-N 2 2 398.938 3.652 20 0 GHADLP O=C(NC1CCC1)[C@H]1C[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C[C@H]2C1 ZINC001236906955 1041950000 /nfs/dbraw/zinc/95/00/00/1041950000.db2.gz YHNXMSFCHBTPMS-NNZMDNLPSA-N 2 2 398.938 3.652 20 0 GHADLP CN1c2ccccc2[C@@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)C1=O ZINC001236905977 1041950213 /nfs/dbraw/zinc/95/02/13/1041950213.db2.gz SNJHONQPKGSWBB-QFIPXVFZSA-N 2 2 392.890 3.646 20 0 GHADLP CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)C1=O ZINC001236905977 1041950216 /nfs/dbraw/zinc/95/02/16/1041950216.db2.gz SNJHONQPKGSWBB-QFIPXVFZSA-N 2 2 392.890 3.646 20 0 GHADLP Clc1cc(C[N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)ccc1-n1cc[nH+]c1 ZINC001236906337 1041950292 /nfs/dbraw/zinc/95/02/92/1041950292.db2.gz UYCNRDYHTIADBK-RXVVDRJESA-N 2 2 387.911 3.686 20 0 GHADLP Clc1cc(C[N@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)ccc1-n1cc[nH+]c1 ZINC001236906337 1041950295 /nfs/dbraw/zinc/95/02/95/1041950295.db2.gz UYCNRDYHTIADBK-RXVVDRJESA-N 2 2 387.911 3.686 20 0 GHADLP F[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@@H]1[NH+]1CCCCC1 ZINC001236908976 1041951592 /nfs/dbraw/zinc/95/15/92/1041951592.db2.gz LAMKOBNEDPGDKM-ICSRJNTNSA-N 2 2 376.907 3.924 20 0 GHADLP CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@@H]1C ZINC001236930295 1041962981 /nfs/dbraw/zinc/96/29/81/1041962981.db2.gz ZFIGPNVCXODDDY-JKSUJKDBSA-N 2 2 375.900 3.937 20 0 GHADLP CCOC(=O)C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@@H]1C ZINC001236930295 1041962983 /nfs/dbraw/zinc/96/29/83/1041962983.db2.gz ZFIGPNVCXODDDY-JKSUJKDBSA-N 2 2 375.900 3.937 20 0 GHADLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC001237352302 1042162819 /nfs/dbraw/zinc/16/28/19/1042162819.db2.gz GPXJMEIKJLJHMH-DYESRHJHSA-N 2 2 398.469 3.607 20 0 GHADLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC001237352302 1042162823 /nfs/dbraw/zinc/16/28/23/1042162823.db2.gz GPXJMEIKJLJHMH-DYESRHJHSA-N 2 2 398.469 3.607 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC001237352302 1042162824 /nfs/dbraw/zinc/16/28/24/1042162824.db2.gz GPXJMEIKJLJHMH-DYESRHJHSA-N 2 2 398.469 3.607 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC001237352302 1042162830 /nfs/dbraw/zinc/16/28/30/1042162830.db2.gz GPXJMEIKJLJHMH-DYESRHJHSA-N 2 2 398.469 3.607 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC(F)F)c(F)c1)C2 ZINC001237355022 1042165443 /nfs/dbraw/zinc/16/54/43/1042165443.db2.gz YERFYWKTARUTMA-UTKZUKDTSA-N 2 2 398.469 3.607 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC(F)F)c(F)c1)C2 ZINC001237355022 1042165447 /nfs/dbraw/zinc/16/54/47/1042165447.db2.gz YERFYWKTARUTMA-UTKZUKDTSA-N 2 2 398.469 3.607 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OC(F)F)c(F)c1)C2 ZINC001237355022 1042165451 /nfs/dbraw/zinc/16/54/51/1042165451.db2.gz YERFYWKTARUTMA-UTKZUKDTSA-N 2 2 398.469 3.607 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C2 ZINC001237355022 1042165455 /nfs/dbraw/zinc/16/54/55/1042165455.db2.gz YERFYWKTARUTMA-UTKZUKDTSA-N 2 2 398.469 3.607 20 0 GHADLP C[C@@H]([NH2+]C(CCc1ccccc1)CCc1ccccc1)[C@@H]1C[N@H+](C)CCN1C ZINC001462596853 1070402124 /nfs/dbraw/zinc/40/21/24/1070402124.db2.gz SDIHWQLZFFRVJB-BWKNWUBXSA-N 2 2 379.592 3.845 20 0 GHADLP C[C@@H]([NH2+]C(CCc1ccccc1)CCc1ccccc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001462596853 1070402127 /nfs/dbraw/zinc/40/21/27/1070402127.db2.gz SDIHWQLZFFRVJB-BWKNWUBXSA-N 2 2 379.592 3.845 20 0 GHADLP CC(C)C1=[NH+]CCc2ccc(CN3CCC[N@H+](Cc4ccncc4)CC3)cc21 ZINC001237880948 1042407454 /nfs/dbraw/zinc/40/74/54/1042407454.db2.gz KOMFOFZTDNVUJZ-UHFFFAOYSA-N 2 2 376.548 3.791 20 0 GHADLP CC(C)C1=[NH+]CCc2ccc(CN3CCC[N@@H+](Cc4ccncc4)CC3)cc21 ZINC001237880948 1042407457 /nfs/dbraw/zinc/40/74/57/1042407457.db2.gz KOMFOFZTDNVUJZ-UHFFFAOYSA-N 2 2 376.548 3.791 20 0 GHADLP CCOC(=O)c1c(Cl)cccc1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001238039324 1042469242 /nfs/dbraw/zinc/46/92/42/1042469242.db2.gz DUGOZIPZJNGKEB-UHFFFAOYSA-N 2 2 387.911 3.959 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(F)c1O ZINC001238361702 1042569541 /nfs/dbraw/zinc/56/95/41/1042569541.db2.gz XETYXVIYAYSTEV-FFZOFVMBSA-N 2 2 399.510 3.667 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(F)c1O ZINC001238361702 1042569547 /nfs/dbraw/zinc/56/95/47/1042569547.db2.gz XETYXVIYAYSTEV-FFZOFVMBSA-N 2 2 399.510 3.667 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(F)c1O ZINC001238361702 1042569553 /nfs/dbraw/zinc/56/95/53/1042569553.db2.gz XETYXVIYAYSTEV-FFZOFVMBSA-N 2 2 399.510 3.667 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(F)c1O ZINC001238361702 1042569556 /nfs/dbraw/zinc/56/95/56/1042569556.db2.gz XETYXVIYAYSTEV-FFZOFVMBSA-N 2 2 399.510 3.667 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(F)c1O ZINC001238361704 1042569849 /nfs/dbraw/zinc/56/98/49/1042569849.db2.gz XETYXVIYAYSTEV-PWIZWCRZSA-N 2 2 399.510 3.667 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(F)c1O ZINC001238361704 1042569851 /nfs/dbraw/zinc/56/98/51/1042569851.db2.gz XETYXVIYAYSTEV-PWIZWCRZSA-N 2 2 399.510 3.667 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(F)c1O ZINC001238361704 1042569855 /nfs/dbraw/zinc/56/98/55/1042569855.db2.gz XETYXVIYAYSTEV-PWIZWCRZSA-N 2 2 399.510 3.667 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(F)c1O ZINC001238361704 1042569857 /nfs/dbraw/zinc/56/98/57/1042569857.db2.gz XETYXVIYAYSTEV-PWIZWCRZSA-N 2 2 399.510 3.667 20 0 GHADLP COC1CC[NH+](C2CC[NH+](Cc3ccc(F)c(-c4ccncc4)c3)CC2)CC1 ZINC001238560194 1042640328 /nfs/dbraw/zinc/64/03/28/1042640328.db2.gz MMBQMKCVYGMVOH-UHFFFAOYSA-N 2 2 383.511 3.963 20 0 GHADLP Fc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc(N2CCCC2)c1 ZINC001238707930 1042694256 /nfs/dbraw/zinc/69/42/56/1042694256.db2.gz RWOMCDPTFLANKV-SZPZYZBQSA-N 2 2 379.523 3.990 20 0 GHADLP Fc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc(N2CCCC2)c1 ZINC001238707930 1042694259 /nfs/dbraw/zinc/69/42/59/1042694259.db2.gz RWOMCDPTFLANKV-SZPZYZBQSA-N 2 2 379.523 3.990 20 0 GHADLP Fc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc(N2CCCC2)c1 ZINC001238707930 1042694261 /nfs/dbraw/zinc/69/42/61/1042694261.db2.gz RWOMCDPTFLANKV-SZPZYZBQSA-N 2 2 379.523 3.990 20 0 GHADLP Fc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc(N2CCCC2)c1 ZINC001238707930 1042694263 /nfs/dbraw/zinc/69/42/63/1042694263.db2.gz RWOMCDPTFLANKV-SZPZYZBQSA-N 2 2 379.523 3.990 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(N3CCCCC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256534575 1043469604 /nfs/dbraw/zinc/46/96/04/1043469604.db2.gz SGMMUPWXEGLLMP-KNQAVFIVSA-N 2 2 392.547 3.741 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(N3CCCCC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC001256534575 1043469620 /nfs/dbraw/zinc/46/96/20/1043469620.db2.gz SGMMUPWXEGLLMP-KNQAVFIVSA-N 2 2 392.547 3.741 20 0 GHADLP Cc1noc([C@H]2C[C@@H]3CC[NH+]([C@@H]4CC[N@H+](Cc5ccccc5)[C@H](C)C4)C[C@H]3O2)n1 ZINC001256544678 1043499059 /nfs/dbraw/zinc/49/90/59/1043499059.db2.gz NNWYXEWKZCOYJR-CHKJKVEQSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@H]2C[C@@H]3CC[NH+]([C@@H]4CC[N@@H+](Cc5ccccc5)[C@H](C)C4)C[C@H]3O2)n1 ZINC001256544678 1043499065 /nfs/dbraw/zinc/49/90/65/1043499065.db2.gz NNWYXEWKZCOYJR-CHKJKVEQSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@H]2C[C@@H]3CC[N@@H+]([C@@H]4CC[NH+](Cc5ccccc5)[C@H](C)C4)C[C@H]3O2)n1 ZINC001256544678 1043499072 /nfs/dbraw/zinc/49/90/72/1043499072.db2.gz NNWYXEWKZCOYJR-CHKJKVEQSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@H]2C[C@@H]3CC[N@H+]([C@@H]4CC[NH+](Cc5ccccc5)[C@H](C)C4)C[C@H]3O2)n1 ZINC001256544678 1043499074 /nfs/dbraw/zinc/49/90/74/1043499074.db2.gz NNWYXEWKZCOYJR-CHKJKVEQSA-N 2 2 396.535 3.583 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH+]2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC001256570119 1043542104 /nfs/dbraw/zinc/54/21/04/1043542104.db2.gz YKZLWCMLZILOIN-UHFFFAOYSA-N 2 2 380.374 3.834 20 0 GHADLP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256608895 1043573608 /nfs/dbraw/zinc/57/36/08/1043573608.db2.gz JDJKZXZLMTTXOJ-ICSRJNTNSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256608895 1043573621 /nfs/dbraw/zinc/57/36/21/1043573621.db2.gz JDJKZXZLMTTXOJ-ICSRJNTNSA-N 2 2 387.568 3.886 20 0 GHADLP O=C(NC1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1)c1ccccc1F ZINC001256613546 1043577831 /nfs/dbraw/zinc/57/78/31/1043577831.db2.gz PDFBVXOQHYJCER-UHFFFAOYSA-N 2 2 395.522 3.685 20 0 GHADLP COc1cccc(C[NH+]2CCC([NH2+][C@H]3CCc4c(cccc4OC)C3)CC2)c1 ZINC001256638724 1043587078 /nfs/dbraw/zinc/58/70/78/1043587078.db2.gz FZLRPHZPIQVANE-NRFANRHFSA-N 2 2 380.532 3.815 20 0 GHADLP COc1ccc(C[NH+]2CCC(N[C@H]3CCC[N@@H+](C4CCCC4)C3)CC2)cc1F ZINC001256908087 1043734546 /nfs/dbraw/zinc/73/45/46/1043734546.db2.gz KTXLPBNQXLDRRM-FQEVSTJZSA-N 2 2 389.559 3.795 20 0 GHADLP COc1ccc(C[NH+]2CCC(N[C@H]3CCC[N@H+](C4CCCC4)C3)CC2)cc1F ZINC001256908087 1043734562 /nfs/dbraw/zinc/73/45/62/1043734562.db2.gz KTXLPBNQXLDRRM-FQEVSTJZSA-N 2 2 389.559 3.795 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001257048781 1043820743 /nfs/dbraw/zinc/82/07/43/1043820743.db2.gz ULSGBVGQESPHJO-PBHICJAKSA-N 2 2 384.442 3.687 20 0 GHADLP C[C@@H]1C[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)C[C@H](C)O1 ZINC001257080037 1043833219 /nfs/dbraw/zinc/83/32/19/1043833219.db2.gz JSXAXLJFYKCXIT-IALVJMBCSA-N 2 2 392.503 3.673 20 0 GHADLP CC(C)[NH+]1CCC([NH+]2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001257212547 1043938769 /nfs/dbraw/zinc/93/87/69/1043938769.db2.gz YALFGCPWUGNKKA-UHFFFAOYSA-N 3 2 383.502 3.914 20 0 GHADLP CCC(CC)(CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)[NH2+][C@@H](C)c1ccccc1 ZINC001293488229 1044209688 /nfs/dbraw/zinc/20/96/88/1044209688.db2.gz NQXYFUFABCTWPM-LAUBAEHRSA-N 2 2 397.567 3.816 20 0 GHADLP CCC(CC)(CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)[NH2+][C@@H](C)c1ccccc1 ZINC001293488229 1044209699 /nfs/dbraw/zinc/20/96/99/1044209699.db2.gz NQXYFUFABCTWPM-LAUBAEHRSA-N 2 2 397.567 3.816 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1nc(-c2ccccc2)cs1 ZINC001293591990 1044256159 /nfs/dbraw/zinc/25/61/59/1044256159.db2.gz WBHYFDWSKCMSAA-UHFFFAOYSA-N 2 2 375.457 3.880 20 0 GHADLP CCC[NH+](CCC)CCCN1CC[NH+]([C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257966428 1044285016 /nfs/dbraw/zinc/28/50/16/1044285016.db2.gz JMFKNWAGIVSFAZ-OAQYLSRUSA-N 2 2 394.003 3.773 20 0 GHADLP CSC(C)(C)C[C@H](C)[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001258342746 1044519028 /nfs/dbraw/zinc/51/90/28/1044519028.db2.gz NEJYPYGBARYXFE-KVSKMBFKSA-N 2 2 397.654 3.894 20 0 GHADLP CSC(C)(C)C[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001258342746 1044519042 /nfs/dbraw/zinc/51/90/42/1044519042.db2.gz NEJYPYGBARYXFE-KVSKMBFKSA-N 2 2 397.654 3.894 20 0 GHADLP CSC(C)(C)C[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001258342746 1044519055 /nfs/dbraw/zinc/51/90/55/1044519055.db2.gz NEJYPYGBARYXFE-KVSKMBFKSA-N 2 2 397.654 3.894 20 0 GHADLP CSC(C)(C)C[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001258342746 1044519070 /nfs/dbraw/zinc/51/90/70/1044519070.db2.gz NEJYPYGBARYXFE-KVSKMBFKSA-N 2 2 397.654 3.894 20 0 GHADLP Cc1[nH+]cn([C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c1CSCC[NH3+] ZINC001258550695 1044628577 /nfs/dbraw/zinc/62/85/77/1044628577.db2.gz SJUNWWXQAOLHMM-HNNXBMFYSA-N 2 2 382.574 3.734 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@@H](C)Cc1ccc(Cl)cc1Cl)CC2 ZINC001258681266 1044709514 /nfs/dbraw/zinc/70/95/14/1044709514.db2.gz JZBWYEACYYWBBF-HNNXBMFYSA-N 2 2 398.378 3.601 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@@H](C)Cc1ccc(Cl)cc1Cl)CC2 ZINC001258681266 1044709525 /nfs/dbraw/zinc/70/95/25/1044709525.db2.gz JZBWYEACYYWBBF-HNNXBMFYSA-N 2 2 398.378 3.601 20 0 GHADLP CCC[NH+]1CCC([N@@H+]2CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)CC1 ZINC001258775046 1044760050 /nfs/dbraw/zinc/76/00/50/1044760050.db2.gz XYTMSNRRYVWPEZ-QHCPKHFHSA-N 2 2 387.543 3.515 20 0 GHADLP CCC[NH+]1CCC([N@H+]2CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)CC1 ZINC001258775046 1044760062 /nfs/dbraw/zinc/76/00/62/1044760062.db2.gz XYTMSNRRYVWPEZ-QHCPKHFHSA-N 2 2 387.543 3.515 20 0 GHADLP COc1cc(C[C@@H](C)[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc(OC)c1OC ZINC001258875296 1044819233 /nfs/dbraw/zinc/81/92/33/1044819233.db2.gz ALXMIPVTXZTTOF-QGZVFWFLSA-N 2 2 390.568 3.982 20 0 GHADLP COc1cc(C[C@@H](C)[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc(OC)c1OC ZINC001258875296 1044819260 /nfs/dbraw/zinc/81/92/60/1044819260.db2.gz ALXMIPVTXZTTOF-QGZVFWFLSA-N 2 2 390.568 3.982 20 0 GHADLP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)C1 ZINC001297179067 1045470267 /nfs/dbraw/zinc/47/02/67/1045470267.db2.gz WCMADBSMVMCNAU-QUCCMNQESA-N 2 2 388.943 3.686 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001298378846 1045790599 /nfs/dbraw/zinc/79/05/99/1045790599.db2.gz RMWHZGTXKOZFSN-IFMALSPDSA-N 2 2 382.552 3.636 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001298378846 1045790614 /nfs/dbraw/zinc/79/06/14/1045790614.db2.gz RMWHZGTXKOZFSN-IFMALSPDSA-N 2 2 382.552 3.636 20 0 GHADLP C[C@@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC001302316813 1046907359 /nfs/dbraw/zinc/90/73/59/1046907359.db2.gz KBXRUNRCQSPUTP-CQSZACIVSA-N 2 2 392.425 3.594 20 0 GHADLP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001264206029 1047265651 /nfs/dbraw/zinc/26/56/51/1047265651.db2.gz RYRDBGPVVINONM-UHFFFAOYSA-N 2 2 397.910 3.690 20 0 GHADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000598036086 1047490251 /nfs/dbraw/zinc/49/02/51/1047490251.db2.gz UCPZGXCOSMUINV-GJZGRUSLSA-N 2 2 384.307 3.575 20 0 GHADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000598036086 1047490257 /nfs/dbraw/zinc/49/02/57/1047490257.db2.gz UCPZGXCOSMUINV-GJZGRUSLSA-N 2 2 384.307 3.575 20 0 GHADLP Fc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]CCn4cc[nH+]c4)(C2)CCC3)ccc1Cl ZINC001279396577 1047792587 /nfs/dbraw/zinc/79/25/87/1047792587.db2.gz AEZWODIMEFFZBD-UXHICEINSA-N 3 2 376.907 3.900 20 0 GHADLP COc1nc(Cl)ccc1C[NH+]1CCC2(C[NH+](CCCC(F)(F)F)C2)CC1 ZINC001279702934 1047923865 /nfs/dbraw/zinc/92/38/65/1047923865.db2.gz VJWWNKRYIZZIKF-UHFFFAOYSA-N 2 2 391.865 3.984 20 0 GHADLP COc1c(Cl)ccc(F)c1C[NH2+][C@@]12CC[C@@](NCC[NH+](C)C)(C1)CCC2 ZINC001280127001 1048093987 /nfs/dbraw/zinc/09/39/87/1048093987.db2.gz KGDBEEBRMJZGEE-UXHICEINSA-N 2 2 383.939 3.574 20 0 GHADLP CCc1c[nH]c2nc[nH+]c(NC3CC[NH+](Cc4ccc(NC(C)=O)cc4)CC3)c12 ZINC001307125122 1049091496 /nfs/dbraw/zinc/09/14/96/1049091496.db2.gz ZUODFLQSYXZWOP-UHFFFAOYSA-N 2 2 392.507 3.555 20 0 GHADLP Cc1nc(N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)c(C)c(C)[nH+]1 ZINC001307136198 1049098274 /nfs/dbraw/zinc/09/82/74/1049098274.db2.gz QGEVNURHAVKCNX-UHFFFAOYSA-N 2 2 399.970 3.846 20 0 GHADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC001307697681 1049514886 /nfs/dbraw/zinc/51/48/86/1049514886.db2.gz IMVMVYOAIIJYMX-LJQANCHMSA-N 2 2 390.568 3.522 20 0 GHADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC001307697681 1049514900 /nfs/dbraw/zinc/51/49/00/1049514900.db2.gz IMVMVYOAIIJYMX-LJQANCHMSA-N 2 2 390.568 3.522 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1cccc(F)c1 ZINC001290306575 1049796513 /nfs/dbraw/zinc/79/65/13/1049796513.db2.gz WEXQAVVUDJBNOM-MOPGFXCFSA-N 2 2 377.891 3.501 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC001308467336 1049983016 /nfs/dbraw/zinc/98/30/16/1049983016.db2.gz ZKIJEVHGDVXWQF-QHCPKHFHSA-N 3 2 384.612 3.715 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001308467336 1049983018 /nfs/dbraw/zinc/98/30/18/1049983018.db2.gz ZKIJEVHGDVXWQF-QHCPKHFHSA-N 3 2 384.612 3.715 20 0 GHADLP CCc1[nH]c(C[N@H+](CC)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1C(=O)OC ZINC001308575001 1050015212 /nfs/dbraw/zinc/01/52/12/1050015212.db2.gz HRUXOUNTNXAYDU-IBGZPJMESA-N 2 2 383.536 3.708 20 0 GHADLP CCc1[nH]c(C[N@@H+](CC)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1C(=O)OC ZINC001308575001 1050015219 /nfs/dbraw/zinc/01/52/19/1050015219.db2.gz HRUXOUNTNXAYDU-IBGZPJMESA-N 2 2 383.536 3.708 20 0 GHADLP CCc1[nH]c(C[NH+](CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C(=O)OC ZINC001308575001 1050015228 /nfs/dbraw/zinc/01/52/28/1050015228.db2.gz HRUXOUNTNXAYDU-IBGZPJMESA-N 2 2 383.536 3.708 20 0 GHADLP CCc1[nH]c(C[NH+](CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C(=O)OC ZINC001308575001 1050015232 /nfs/dbraw/zinc/01/52/32/1050015232.db2.gz HRUXOUNTNXAYDU-IBGZPJMESA-N 2 2 383.536 3.708 20 0 GHADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CCc2ccc(I)cc2)C1 ZINC001308733909 1050075568 /nfs/dbraw/zinc/07/55/68/1050075568.db2.gz GIGADGCSLCTEIW-YOEHRIQHSA-N 2 2 386.321 3.686 20 0 GHADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CCc2ccc(I)cc2)C1 ZINC001308733909 1050075575 /nfs/dbraw/zinc/07/55/75/1050075575.db2.gz GIGADGCSLCTEIW-YOEHRIQHSA-N 2 2 386.321 3.686 20 0 GHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCN(c4c(F)cccc4F)C3=O)CC2)C1 ZINC001308921678 1050173596 /nfs/dbraw/zinc/17/35/96/1050173596.db2.gz GDRYMVYJWMHAMN-WRWLIDTKSA-N 2 2 391.506 3.703 20 0 GHADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cccc(F)c2I)CC1 ZINC001308983129 1050244886 /nfs/dbraw/zinc/24/48/86/1050244886.db2.gz LKNDSQXKOWNADU-UHFFFAOYSA-N 2 2 399.251 3.543 20 0 GHADLP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(Br)cc1F ZINC001329965912 1050931492 /nfs/dbraw/zinc/93/14/92/1050931492.db2.gz KRYADSZOZXCDKO-OALUTQOASA-N 2 2 399.348 3.754 20 0 GHADLP [NH3+][C@@H](CCC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1ccccc1 ZINC001332515924 1051536129 /nfs/dbraw/zinc/53/61/29/1051536129.db2.gz HWUQRLIIHMCWFJ-IBGZPJMESA-N 2 2 391.519 3.968 20 0 GHADLP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC001311048615 1051804470 /nfs/dbraw/zinc/80/44/70/1051804470.db2.gz OCVVRRFCXHTZFE-RTBURBONSA-N 2 2 378.586 3.857 20 0 GHADLP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC001311048615 1051804487 /nfs/dbraw/zinc/80/44/87/1051804487.db2.gz OCVVRRFCXHTZFE-RTBURBONSA-N 2 2 378.586 3.857 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+]CCC(=O)Nc2ccccc2F)CCOCC1)c1ccccc1 ZINC001335421344 1052096764 /nfs/dbraw/zinc/09/67/64/1052096764.db2.gz LFHJQUMYSTVALT-SFHVURJKSA-N 2 2 399.510 3.644 20 0 GHADLP CC(C)(C)[NH2+]CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001318210557 1054500141 /nfs/dbraw/zinc/50/01/41/1054500141.db2.gz BGUZKKQBAKOUCU-UHFFFAOYSA-N 2 2 389.540 3.587 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COc1ccc(Cl)cc1Cl ZINC001318498045 1054679396 /nfs/dbraw/zinc/67/93/96/1054679396.db2.gz RBJMCQIHWVFAMX-UHFFFAOYSA-N 2 2 377.231 3.900 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC001318696903 1054802230 /nfs/dbraw/zinc/80/22/30/1054802230.db2.gz MBAKGGCKMIXWHG-OAQYLSRUSA-N 2 2 375.476 3.569 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC001318696903 1054802243 /nfs/dbraw/zinc/80/22/43/1054802243.db2.gz MBAKGGCKMIXWHG-OAQYLSRUSA-N 2 2 375.476 3.569 20 0 GHADLP CC(=O)c1ccc(OCCCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001318833588 1054907005 /nfs/dbraw/zinc/90/70/05/1054907005.db2.gz RQXHZCNONDMXSX-UHFFFAOYSA-N 2 2 378.432 3.576 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3ccccc3N3CCCC3)[nH+]c2)CC1 ZINC001319953983 1055562215 /nfs/dbraw/zinc/56/22/15/1055562215.db2.gz GVXBDDHYRMJQKU-UHFFFAOYSA-N 2 2 379.552 3.824 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC001320180766 1055695270 /nfs/dbraw/zinc/69/52/70/1055695270.db2.gz BRZLTZMQAITNAQ-MRXNPFEDSA-N 2 2 385.512 3.617 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC001320180766 1055695275 /nfs/dbraw/zinc/69/52/75/1055695275.db2.gz BRZLTZMQAITNAQ-MRXNPFEDSA-N 2 2 385.512 3.617 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cnn(-c2ccc(F)cc2F)c1C ZINC001322869560 1056873705 /nfs/dbraw/zinc/87/37/05/1056873705.db2.gz RIZCLHUJGQNYBA-UHFFFAOYSA-N 2 2 394.385 3.600 20 0 GHADLP COc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3CNc3cccc(C)[nH+]3)o2)cc1 ZINC001324296566 1057106291 /nfs/dbraw/zinc/10/62/91/1057106291.db2.gz GDQCOPZFOCPCBU-KRWDZBQOSA-N 2 2 379.464 3.525 20 0 GHADLP COc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3CNc3cccc(C)[nH+]3)o2)cc1 ZINC001324296566 1057106294 /nfs/dbraw/zinc/10/62/94/1057106294.db2.gz GDQCOPZFOCPCBU-KRWDZBQOSA-N 2 2 379.464 3.525 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000848909157 1057414110 /nfs/dbraw/zinc/41/41/10/1057414110.db2.gz MCDPCTYZBPCSQQ-VIOKTNGOSA-N 2 2 382.504 3.856 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000848909157 1057414111 /nfs/dbraw/zinc/41/41/11/1057414111.db2.gz MCDPCTYZBPCSQQ-VIOKTNGOSA-N 2 2 382.504 3.856 20 0 GHADLP COc1ccccc1CNC(=[NH2+])NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000849054791 1057564949 /nfs/dbraw/zinc/56/49/49/1057564949.db2.gz BRTUZUMMGYZHKO-IBGZPJMESA-N 2 2 386.927 3.800 20 0 GHADLP C[NH+](C)[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000849090152 1057590421 /nfs/dbraw/zinc/59/04/21/1057590421.db2.gz YISWXCIBMGROEG-KRWDZBQOSA-N 2 2 382.405 3.761 20 0 GHADLP CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001339093573 1058957272 /nfs/dbraw/zinc/95/72/72/1058957272.db2.gz IWWVXHFNAKZIOI-CYBMUJFWSA-N 2 2 395.488 3.653 20 0 GHADLP O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccc(C[NH+]2CCCC2)o1 ZINC001442548590 1058974857 /nfs/dbraw/zinc/97/48/57/1058974857.db2.gz DHRIXPQZHGXVCK-UHFFFAOYSA-N 2 2 385.533 3.677 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CC[N@H+](CC)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC001446196622 1059727412 /nfs/dbraw/zinc/72/74/12/1059727412.db2.gz QYPUXMCXXUOAMS-CRAIPNDOSA-N 2 2 385.474 3.641 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CC[N@@H+](CC)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC001446196622 1059727433 /nfs/dbraw/zinc/72/74/33/1059727433.db2.gz QYPUXMCXXUOAMS-CRAIPNDOSA-N 2 2 385.474 3.641 20 0 GHADLP CCOc1ccccc1[C@@H]([NH3+])CC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001342079788 1061044128 /nfs/dbraw/zinc/04/41/28/1061044128.db2.gz MDLLMHCVJDWGOO-MJGOQNOKSA-N 2 2 398.551 3.833 20 0 GHADLP C[C@@H]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001459552691 1064124902 /nfs/dbraw/zinc/12/49/02/1064124902.db2.gz BPKTXGNKICROOL-JOCHJYFZSA-N 2 2 393.575 3.615 20 0 GHADLP C[C@@H]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001459552691 1064124907 /nfs/dbraw/zinc/12/49/07/1064124907.db2.gz BPKTXGNKICROOL-JOCHJYFZSA-N 2 2 393.575 3.615 20 0 GHADLP OCCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCCc2ccccc21 ZINC001459580735 1064133913 /nfs/dbraw/zinc/13/39/13/1064133913.db2.gz NRZGFXDIRRLNGX-RUZDIDTESA-N 2 2 394.559 3.781 20 0 GHADLP OCCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCCc2ccccc21 ZINC001459580735 1064133919 /nfs/dbraw/zinc/13/39/19/1064133919.db2.gz NRZGFXDIRRLNGX-RUZDIDTESA-N 2 2 394.559 3.781 20 0 GHADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001468360071 1067703061 /nfs/dbraw/zinc/70/30/61/1067703061.db2.gz QXWUSNQPWKJBLT-GOTSBHOMSA-N 2 2 397.538 3.580 20 0 GHADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001468360071 1067703069 /nfs/dbraw/zinc/70/30/69/1067703069.db2.gz QXWUSNQPWKJBLT-GOTSBHOMSA-N 2 2 397.538 3.580 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC001460478591 1068974341 /nfs/dbraw/zinc/97/43/41/1068974341.db2.gz AIEKDGZCPXYPIK-LJQANCHMSA-N 2 2 382.508 3.894 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CCC[C@@H](C(C)C)CC3)CC2)CC1 ZINC001478485548 1078887453 /nfs/dbraw/zinc/88/74/53/1078887453.db2.gz BXJHFILACYJDJK-RTWAWAEBSA-N 2 2 392.632 3.793 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CCC[C@@H](C(C)C)CC3)CC2)CC1 ZINC001478485548 1078887456 /nfs/dbraw/zinc/88/74/56/1078887456.db2.gz BXJHFILACYJDJK-RTWAWAEBSA-N 2 2 392.632 3.793 20 0 GHADLP CN(C)c1ccc(C2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC001473412943 1073954819 /nfs/dbraw/zinc/95/48/19/1073954819.db2.gz XYEXLQKGHSAHKI-UHFFFAOYSA-N 2 2 393.575 3.964 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@@H+]3CC[C@@H](c4ccccn4)C3)CC2)cc1 ZINC001473423216 1073958981 /nfs/dbraw/zinc/95/89/81/1073958981.db2.gz KBTAAISCAPLCOS-LJQANCHMSA-N 2 2 384.955 3.737 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@H+]3CC[C@@H](c4ccccn4)C3)CC2)cc1 ZINC001473423216 1073958985 /nfs/dbraw/zinc/95/89/85/1073958985.db2.gz KBTAAISCAPLCOS-LJQANCHMSA-N 2 2 384.955 3.737 20 0 GHADLP O=C(C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC001473747070 1074120445 /nfs/dbraw/zinc/12/04/45/1074120445.db2.gz KIFSXJXIRCVOMJ-GOSISDBHSA-N 2 2 388.393 3.872 20 0 GHADLP Cc1csc(C[C@H]2CC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC001473824677 1074161634 /nfs/dbraw/zinc/16/16/34/1074161634.db2.gz PNEVAKYSNZHRRP-RTWAWAEBSA-N 2 2 385.577 3.607 20 0 GHADLP Cc1csc(C[C@H]2CC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC001473824677 1074161635 /nfs/dbraw/zinc/16/16/35/1074161635.db2.gz PNEVAKYSNZHRRP-RTWAWAEBSA-N 2 2 385.577 3.607 20 0 GHADLP Cc1csc(C[C@H]2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC001473824677 1074161639 /nfs/dbraw/zinc/16/16/39/1074161639.db2.gz PNEVAKYSNZHRRP-RTWAWAEBSA-N 2 2 385.577 3.607 20 0 GHADLP Cc1csc(C[C@H]2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC001473824677 1074161640 /nfs/dbraw/zinc/16/16/40/1074161640.db2.gz PNEVAKYSNZHRRP-RTWAWAEBSA-N 2 2 385.577 3.607 20 0 GHADLP Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(O)(C[NH+]4CCCCC4)CC3)o2)cc1C ZINC001473878026 1074187498 /nfs/dbraw/zinc/18/74/98/1074187498.db2.gz ZCGXOZYVBOYXRK-LJQANCHMSA-N 2 2 398.551 3.727 20 0 GHADLP CCOc1ccc(Cl)cc1C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001473934634 1074210535 /nfs/dbraw/zinc/21/05/35/1074210535.db2.gz VLPDRFNUQNNRBL-UHFFFAOYSA-N 2 2 387.955 3.776 20 0 GHADLP CCOc1ccc(Cl)cc1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001473934634 1074210541 /nfs/dbraw/zinc/21/05/41/1074210541.db2.gz VLPDRFNUQNNRBL-UHFFFAOYSA-N 2 2 387.955 3.776 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(F)cc3Cl)cc2)CC1 ZINC001473936491 1074211343 /nfs/dbraw/zinc/21/13/43/1074211343.db2.gz WVAYQAVRCPUULK-UHFFFAOYSA-N 2 2 375.919 3.906 20 0 GHADLP Cc1nc(C[NH+]2CCC(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC2)oc1C ZINC001473979370 1074224346 /nfs/dbraw/zinc/22/43/46/1074224346.db2.gz QKTRJMGVGOUJAH-UHFFFAOYSA-N 3 2 396.579 3.758 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001474020143 1074238241 /nfs/dbraw/zinc/23/82/41/1074238241.db2.gz KBWWRCHUFGDJHY-ICSRJNTNSA-N 2 2 378.438 3.678 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001474020143 1074238245 /nfs/dbraw/zinc/23/82/45/1074238245.db2.gz KBWWRCHUFGDJHY-ICSRJNTNSA-N 2 2 378.438 3.678 20 0 GHADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001474184139 1074286352 /nfs/dbraw/zinc/28/63/52/1074286352.db2.gz AIZATALFQIMYBD-FBBABVLZSA-N 2 2 399.604 3.895 20 0 GHADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001474184139 1074286356 /nfs/dbraw/zinc/28/63/56/1074286356.db2.gz AIZATALFQIMYBD-FBBABVLZSA-N 2 2 399.604 3.895 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001474238261 1074304945 /nfs/dbraw/zinc/30/49/45/1074304945.db2.gz RWIMQNYIMURMSF-HSALFYBXSA-N 2 2 387.568 3.932 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001474238261 1074304950 /nfs/dbraw/zinc/30/49/50/1074304950.db2.gz RWIMQNYIMURMSF-HSALFYBXSA-N 2 2 387.568 3.932 20 0 GHADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)CC1 ZINC001474673421 1074508710 /nfs/dbraw/zinc/50/87/10/1074508710.db2.gz BLMQCCUBHBCINT-UDDWMFPDSA-N 2 2 390.593 3.624 20 0 GHADLP Fc1ccc(N2CC[C@@H](C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)C2)cc1F ZINC000359893086 209200121 /nfs/dbraw/zinc/20/01/21/209200121.db2.gz CXDFIWUZGGNYCW-AWEZNQCLSA-N 2 2 391.428 3.798 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820414359 599377161 /nfs/dbraw/zinc/37/71/61/599377161.db2.gz YBVDFHHPMVXFJX-DLBZAZTESA-N 2 2 376.508 3.743 20 0 GHADLP CN(c1c(-c2nn[nH]n2)c[nH+]c2ccccc21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821619105 606045487 /nfs/dbraw/zinc/04/54/87/606045487.db2.gz JUJNJTKPGJPPCX-GOSISDBHSA-N 2 2 399.502 3.516 20 0 GHADLP CN(c1c(-c2nn[nH]n2)c[nH+]c2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821619105 606045493 /nfs/dbraw/zinc/04/54/93/606045493.db2.gz JUJNJTKPGJPPCX-GOSISDBHSA-N 2 2 399.502 3.516 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000824547716 608497090 /nfs/dbraw/zinc/49/70/90/608497090.db2.gz SFJMRSSDRLKUKP-VFNWGFHPSA-N 2 2 385.475 3.781 20 0 GHADLP Cc1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(C)c(C)[nH+]1 ZINC001164913961 721730045 /nfs/dbraw/zinc/73/00/45/721730045.db2.gz ZRJVNAKURZXMGL-FQEVSTJZSA-N 2 2 387.478 3.535 20 0 GHADLP Cc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(C)c(C)[nH+]1 ZINC001164913961 721730049 /nfs/dbraw/zinc/73/00/49/721730049.db2.gz ZRJVNAKURZXMGL-FQEVSTJZSA-N 2 2 387.478 3.535 20 0 GHADLP CCCc1cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc(C)[nH+]1 ZINC001165020225 721842574 /nfs/dbraw/zinc/84/25/74/721842574.db2.gz ADEKNXJBSGENIV-UHFFFAOYSA-N 2 2 398.551 3.856 20 0 GHADLP C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000511463751 837481693 /nfs/dbraw/zinc/48/16/93/837481693.db2.gz RGJJQIAZAWOEAV-KZNAEPCWSA-N 2 2 377.960 3.636 20 0 GHADLP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000511463751 837481695 /nfs/dbraw/zinc/48/16/95/837481695.db2.gz RGJJQIAZAWOEAV-KZNAEPCWSA-N 2 2 377.960 3.636 20 0 GHADLP COc1ccc(Oc2cc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)ccn2)cc1 ZINC000655695214 837685424 /nfs/dbraw/zinc/68/54/24/837685424.db2.gz UIPIKPXBXBOCNH-QFIPXVFZSA-N 2 2 397.519 3.616 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584399157 834519559 /nfs/dbraw/zinc/51/95/59/834519559.db2.gz VNTOOFRLIVYJDG-RBUKOAKNSA-N 2 2 388.874 3.649 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584399157 834519567 /nfs/dbraw/zinc/51/95/67/834519567.db2.gz VNTOOFRLIVYJDG-RBUKOAKNSA-N 2 2 388.874 3.649 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Br)c1 ZINC000579775299 834625122 /nfs/dbraw/zinc/62/51/22/834625122.db2.gz YMSMCBXFHGGNMM-DNVCBOLYSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Br)c1 ZINC000579775299 834625128 /nfs/dbraw/zinc/62/51/28/834625128.db2.gz YMSMCBXFHGGNMM-DNVCBOLYSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Br)c1 ZINC000579775299 834625131 /nfs/dbraw/zinc/62/51/31/834625131.db2.gz YMSMCBXFHGGNMM-DNVCBOLYSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Br)c1 ZINC000579775299 834625134 /nfs/dbraw/zinc/62/51/34/834625134.db2.gz YMSMCBXFHGGNMM-DNVCBOLYSA-N 2 2 379.342 3.906 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000144391918 834804537 /nfs/dbraw/zinc/80/45/37/834804537.db2.gz BSNRGBMIORNSOB-NRFANRHFSA-N 2 2 385.939 3.724 20 0 GHADLP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)c(C)c2)CC1 ZINC000635124269 834834164 /nfs/dbraw/zinc/83/41/64/834834164.db2.gz QGTNBZCPCYERKY-OAQYLSRUSA-N 2 2 383.540 3.559 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCCCn1cc[nH+]c1 ZINC000057376542 837830801 /nfs/dbraw/zinc/83/08/01/837830801.db2.gz HIZGEMLAHIUKEZ-LJQANCHMSA-N 2 2 383.540 3.537 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCCCn1cc[nH+]c1 ZINC000057376542 837830814 /nfs/dbraw/zinc/83/08/14/837830814.db2.gz HIZGEMLAHIUKEZ-LJQANCHMSA-N 2 2 383.540 3.537 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782844756 837832541 /nfs/dbraw/zinc/83/25/41/837832541.db2.gz FARSGASSEJVXCN-WIYYLYMNSA-N 2 2 397.485 3.622 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782844756 837832553 /nfs/dbraw/zinc/83/25/53/837832553.db2.gz FARSGASSEJVXCN-WIYYLYMNSA-N 2 2 397.485 3.622 20 0 GHADLP Cc1sc2nc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)nc(N)c2c1C ZINC000333091601 844018114 /nfs/dbraw/zinc/01/81/14/844018114.db2.gz ZPSLGCODGBQHQQ-UHFFFAOYSA-N 2 2 396.564 3.803 20 0 GHADLP COc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1Br ZINC000152732756 835179998 /nfs/dbraw/zinc/17/99/98/835179998.db2.gz ZXVGXQVPKXQXHN-ZDUSSCGKSA-N 2 2 378.314 3.884 20 0 GHADLP Brc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)[C@H]2CCCO2)cc1 ZINC000685662120 835278436 /nfs/dbraw/zinc/27/84/36/835278436.db2.gz FPWPKZYRBMAGMY-QGTPRVQTSA-N 2 2 376.298 3.539 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658053990 835396469 /nfs/dbraw/zinc/39/64/69/835396469.db2.gz CLHXFUCRQWBXRT-CZUORRHYSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658053990 835396480 /nfs/dbraw/zinc/39/64/80/835396480.db2.gz CLHXFUCRQWBXRT-CZUORRHYSA-N 2 2 382.346 3.629 20 0 GHADLP Brc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295199 835559078 /nfs/dbraw/zinc/55/90/78/835559078.db2.gz REIWXYYXXAHULK-BEFAXECRSA-N 2 2 379.342 3.669 20 0 GHADLP COc1cc2[nH+]ccc(NCc3c[nH+]c4n3CCCC4)c2cc1Br ZINC000584109316 835650458 /nfs/dbraw/zinc/65/04/58/835650458.db2.gz MQNPMOAMIQESHZ-UHFFFAOYSA-N 2 2 387.281 3.573 20 0 GHADLP Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)CC2)[nH+]c1 ZINC000180167332 836101178 /nfs/dbraw/zinc/10/11/78/836101178.db2.gz BOAPDGVLFDVEQB-OEMFJLHTSA-N 3 2 390.575 3.859 20 0 GHADLP Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC2)[nH+]c1 ZINC000180167332 836101182 /nfs/dbraw/zinc/10/11/82/836101182.db2.gz BOAPDGVLFDVEQB-OEMFJLHTSA-N 3 2 390.575 3.859 20 0 GHADLP O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047295361 836114087 /nfs/dbraw/zinc/11/40/87/836114087.db2.gz KPPOAWAFIQNWJX-UHFFFAOYSA-N 2 2 380.536 3.850 20 0 GHADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000180496207 836180920 /nfs/dbraw/zinc/18/09/20/836180920.db2.gz XAOJNCCMCMWNBB-KKSFZXQISA-N 2 2 375.919 3.794 20 0 GHADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000569929671 836181026 /nfs/dbraw/zinc/18/10/26/836181026.db2.gz UYEAXKFCAOELRR-FFZOFVMBSA-N 2 2 389.902 3.597 20 0 GHADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000569929671 836181034 /nfs/dbraw/zinc/18/10/34/836181034.db2.gz UYEAXKFCAOELRR-FFZOFVMBSA-N 2 2 389.902 3.597 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)[C@H](C)C1 ZINC000471242979 836289638 /nfs/dbraw/zinc/28/96/38/836289638.db2.gz LFBZNJIDFGYSGI-FHZYATBESA-N 2 2 389.559 3.835 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)[C@H](C)C1 ZINC000471242979 836289646 /nfs/dbraw/zinc/28/96/46/836289646.db2.gz LFBZNJIDFGYSGI-FHZYATBESA-N 2 2 389.559 3.835 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)[C@H](C)C1 ZINC000471242979 836289658 /nfs/dbraw/zinc/28/96/58/836289658.db2.gz LFBZNJIDFGYSGI-FHZYATBESA-N 2 2 389.559 3.835 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)[C@H](C)C1 ZINC000471242979 836289670 /nfs/dbraw/zinc/28/96/70/836289670.db2.gz LFBZNJIDFGYSGI-FHZYATBESA-N 2 2 389.559 3.835 20 0 GHADLP C[C@H](CC(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2)n1cc[nH+]c1 ZINC000636131721 836789358 /nfs/dbraw/zinc/78/93/58/836789358.db2.gz SUUCMDFJKOBGBM-HXUWFJFHSA-N 2 2 380.536 3.739 20 0 GHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000431729730 837185387 /nfs/dbraw/zinc/18/53/87/837185387.db2.gz RZEZQXFAGIRQFB-UHFFFAOYSA-N 2 2 394.563 3.589 20 0 GHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000431729730 837185389 /nfs/dbraw/zinc/18/53/89/837185389.db2.gz RZEZQXFAGIRQFB-UHFFFAOYSA-N 2 2 394.563 3.589 20 0 GHADLP [NH3+][C@@H](C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000237826076 837359998 /nfs/dbraw/zinc/35/99/98/837359998.db2.gz SXHDDAFBSJQBGB-RBBKRZOGSA-N 2 2 391.540 3.664 20 0 GHADLP [NH3+][C@@H](C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000237826076 837360010 /nfs/dbraw/zinc/36/00/10/837360010.db2.gz SXHDDAFBSJQBGB-RBBKRZOGSA-N 2 2 391.540 3.664 20 0 GHADLP CCc1ccc(C(C)(C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000177337745 837908363 /nfs/dbraw/zinc/90/83/63/837908363.db2.gz CHNGGFCGWZQIJB-UHFFFAOYSA-N 2 2 385.596 3.593 20 0 GHADLP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000423467467 837908649 /nfs/dbraw/zinc/90/86/49/837908649.db2.gz IZEIJOXVDYCPQG-MZURWIMNSA-N 3 2 381.539 3.944 20 0 GHADLP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000423467467 837908653 /nfs/dbraw/zinc/90/86/53/837908653.db2.gz IZEIJOXVDYCPQG-MZURWIMNSA-N 3 2 381.539 3.944 20 0 GHADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCNc1cccc[nH+]1 ZINC000163801906 838055883 /nfs/dbraw/zinc/05/58/83/838055883.db2.gz ASRFEFYYDKQOQZ-CQSZACIVSA-N 2 2 380.414 3.909 20 0 GHADLP CC[NH2+]Cc1cccc(NC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000415926083 838277099 /nfs/dbraw/zinc/27/70/99/838277099.db2.gz YPWBEPXCJKSXJS-UHFFFAOYSA-N 2 2 386.927 3.629 20 0 GHADLP CC[NH2+]Cc1cccc(NC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000415926083 838277104 /nfs/dbraw/zinc/27/71/04/838277104.db2.gz YPWBEPXCJKSXJS-UHFFFAOYSA-N 2 2 386.927 3.629 20 0 GHADLP CC[C@H](CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000510310397 838447224 /nfs/dbraw/zinc/44/72/24/838447224.db2.gz YQOUVDWKVSRMKF-OAQYLSRUSA-N 2 2 388.515 3.747 20 0 GHADLP CC[C@H](CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000510310397 838447229 /nfs/dbraw/zinc/44/72/29/838447229.db2.gz YQOUVDWKVSRMKF-OAQYLSRUSA-N 2 2 388.515 3.747 20 0 GHADLP [NH3+][C@@H](CCC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000168591357 838546165 /nfs/dbraw/zinc/54/61/65/838546165.db2.gz LBEXPZXOOYFBKE-UWJYYQICSA-N 2 2 387.474 3.526 20 0 GHADLP [NH3+][C@@H](CCC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000168591357 838546174 /nfs/dbraw/zinc/54/61/74/838546174.db2.gz LBEXPZXOOYFBKE-UWJYYQICSA-N 2 2 387.474 3.526 20 0 GHADLP CC(C)Oc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1Cl ZINC000188146792 838555542 /nfs/dbraw/zinc/55/55/42/838555542.db2.gz OIZGWNXIQLQBGQ-YOFSQIOKSA-N 2 2 391.987 3.870 20 0 GHADLP CC(C)Oc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1Cl ZINC000188146792 838555549 /nfs/dbraw/zinc/55/55/49/838555549.db2.gz OIZGWNXIQLQBGQ-YOFSQIOKSA-N 2 2 391.987 3.870 20 0 GHADLP CC(C)(c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)[C@@H]([NH3+])c1ccccc1 ZINC000414627456 838705934 /nfs/dbraw/zinc/70/59/34/838705934.db2.gz RGCADEOQNINVDE-FQEVSTJZSA-N 2 2 392.503 3.546 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@H]3c3cccc4ccccc43)CC2)CC1 ZINC000107578671 838782630 /nfs/dbraw/zinc/78/26/30/838782630.db2.gz GGDIAAPLYQRNCV-ZEQRLZLVSA-N 2 2 391.559 3.618 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(Cl)cc1 ZINC000549166028 839125944 /nfs/dbraw/zinc/12/59/44/839125944.db2.gz NFIBLALFBUZTLX-NRFANRHFSA-N 2 2 399.966 3.847 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(Cl)cc1 ZINC000549166028 839125951 /nfs/dbraw/zinc/12/59/51/839125951.db2.gz NFIBLALFBUZTLX-NRFANRHFSA-N 2 2 399.966 3.847 20 0 GHADLP Cc1ccccc1CCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124856646 839253593 /nfs/dbraw/zinc/25/35/93/839253593.db2.gz ZYVXCDQLKDBPEU-XZOQPEGZSA-N 2 2 385.596 3.723 20 0 GHADLP Cc1ccccc1CCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124856646 839253600 /nfs/dbraw/zinc/25/36/00/839253600.db2.gz ZYVXCDQLKDBPEU-XZOQPEGZSA-N 2 2 385.596 3.723 20 0 GHADLP C[NH+](C)C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000549240043 839463205 /nfs/dbraw/zinc/46/32/05/839463205.db2.gz NFMCXVKSXJSLQV-HXUWFJFHSA-N 2 2 382.895 3.618 20 0 GHADLP O[C@@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)Cc1cccc(Cl)c1 ZINC000644636227 839890212 /nfs/dbraw/zinc/89/02/12/839890212.db2.gz ROJNUVSXEQHJOE-DAWZGUTISA-N 2 2 390.877 3.638 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000656262005 839909496 /nfs/dbraw/zinc/90/94/96/839909496.db2.gz OXOZTDJMLFVYNI-KUHUBIRLSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000656262005 839909497 /nfs/dbraw/zinc/90/94/97/839909497.db2.gz OXOZTDJMLFVYNI-KUHUBIRLSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000656262005 839909499 /nfs/dbraw/zinc/90/94/99/839909499.db2.gz OXOZTDJMLFVYNI-KUHUBIRLSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000656262005 839909502 /nfs/dbraw/zinc/90/95/02/839909502.db2.gz OXOZTDJMLFVYNI-KUHUBIRLSA-N 2 2 391.357 3.715 20 0 GHADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc2ccccc2c1 ZINC000364403276 840222023 /nfs/dbraw/zinc/22/20/23/840222023.db2.gz ABKCTKGXUSLIBR-WZONZLPQSA-N 2 2 379.548 3.570 20 0 GHADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc2ccccc2c1 ZINC000364403276 840222031 /nfs/dbraw/zinc/22/20/31/840222031.db2.gz ABKCTKGXUSLIBR-WZONZLPQSA-N 2 2 379.548 3.570 20 0 GHADLP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564618 840373225 /nfs/dbraw/zinc/37/32/25/840373225.db2.gz XOCNDDVYIANMPX-UHFFFAOYSA-N 3 2 396.579 3.761 20 0 GHADLP CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564618 840373234 /nfs/dbraw/zinc/37/32/34/840373234.db2.gz XOCNDDVYIANMPX-UHFFFAOYSA-N 3 2 396.579 3.761 20 0 GHADLP O=C1Nc2ccccc2S[C@@H]1CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478494 840628634 /nfs/dbraw/zinc/62/86/34/840628634.db2.gz CEBKNANEDOIRKS-OXJNMPFZSA-N 2 2 396.560 3.902 20 0 GHADLP O=C1Nc2ccccc2S[C@@H]1CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478494 840628638 /nfs/dbraw/zinc/62/86/38/840628638.db2.gz CEBKNANEDOIRKS-OXJNMPFZSA-N 2 2 396.560 3.902 20 0 GHADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000581168183 840816487 /nfs/dbraw/zinc/81/64/87/840816487.db2.gz MPVSCKNRUYQHDG-NZQKXSOJSA-N 2 2 395.547 3.593 20 0 GHADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000581168183 840816499 /nfs/dbraw/zinc/81/64/99/840816499.db2.gz MPVSCKNRUYQHDG-NZQKXSOJSA-N 2 2 395.547 3.593 20 0 GHADLP CC(C)C[NH+]1CCC(NC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000043546340 840864513 /nfs/dbraw/zinc/86/45/13/840864513.db2.gz FPXDXJXHFFMZNB-INIZCTEOSA-N 2 2 393.601 3.617 20 0 GHADLP CC(C)C[NH+]1CCC(NC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000043546340 840864517 /nfs/dbraw/zinc/86/45/17/840864517.db2.gz FPXDXJXHFFMZNB-INIZCTEOSA-N 2 2 393.601 3.617 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c(C)c1 ZINC000417933624 841288988 /nfs/dbraw/zinc/28/89/88/841288988.db2.gz OJRAERHDHXCSAM-XMSQKQJNSA-N 2 2 391.519 3.760 20 0 GHADLP [NH3+]CCCN(CC1CCCC1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000418261858 841704352 /nfs/dbraw/zinc/70/43/52/841704352.db2.gz RSQPREPSQBBJQH-UHFFFAOYSA-N 2 2 389.931 3.576 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)s1 ZINC000512067017 842385691 /nfs/dbraw/zinc/38/56/91/842385691.db2.gz JEUXHLSGYCPTPN-MRXNPFEDSA-N 2 2 396.963 3.751 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000057613329 842713959 /nfs/dbraw/zinc/71/39/59/842713959.db2.gz GMERAEIVPSVDOM-IRXDYDNUSA-N 2 2 390.572 3.607 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000051334367 842828449 /nfs/dbraw/zinc/82/84/49/842828449.db2.gz IOPJOYMRFTWEMO-UHFFFAOYSA-N 2 2 384.524 3.548 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162938540 842920423 /nfs/dbraw/zinc/92/04/23/842920423.db2.gz VESMGMUPWXTUHQ-RDPSFJRHSA-N 3 2 378.564 3.678 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162938540 842920434 /nfs/dbraw/zinc/92/04/34/842920434.db2.gz VESMGMUPWXTUHQ-RDPSFJRHSA-N 3 2 378.564 3.678 20 0 GHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[NH+](C)C ZINC000510556341 842957533 /nfs/dbraw/zinc/95/75/33/842957533.db2.gz XPUZDWPXZMDWCM-FIKGOQFSSA-N 2 2 382.552 3.754 20 0 GHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[NH+](C)C ZINC000510556341 842957540 /nfs/dbraw/zinc/95/75/40/842957540.db2.gz XPUZDWPXZMDWCM-FIKGOQFSSA-N 2 2 382.552 3.754 20 0 GHADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662245716 843004912 /nfs/dbraw/zinc/00/49/12/843004912.db2.gz OFDRPMIEVXWSPC-NEPJUHHUSA-N 2 2 395.263 3.949 20 0 GHADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662245716 843004920 /nfs/dbraw/zinc/00/49/20/843004920.db2.gz OFDRPMIEVXWSPC-NEPJUHHUSA-N 2 2 395.263 3.949 20 0 GHADLP Cc1nc(NCC2CCN(c3cc[nH+]cc3)CC2)c(Br)c(C)[nH+]1 ZINC000663768115 843136071 /nfs/dbraw/zinc/13/60/71/843136071.db2.gz GAVBDUAJTKBBSL-UHFFFAOYSA-N 2 2 376.302 3.579 20 0 GHADLP c1coc(-c2nc(C[NH+]3CCC(c4cc(C5CC[NH2+]CC5)n[nH]4)CC3)cs2)c1 ZINC000662326870 843154829 /nfs/dbraw/zinc/15/48/29/843154829.db2.gz FSTACTWELCYNMR-UHFFFAOYSA-N 2 2 397.548 3.973 20 0 GHADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279596637 843160045 /nfs/dbraw/zinc/16/00/45/843160045.db2.gz VARVXLUHSDLYPF-QFIPXVFZSA-N 2 2 392.547 3.590 20 0 GHADLP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279596637 843160047 /nfs/dbraw/zinc/16/00/47/843160047.db2.gz VARVXLUHSDLYPF-QFIPXVFZSA-N 2 2 392.547 3.590 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512275093 843298015 /nfs/dbraw/zinc/29/80/15/843298015.db2.gz CZORKOPNGXOXPB-SQJMNOBHSA-N 2 2 391.559 3.632 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512275093 843298023 /nfs/dbraw/zinc/29/80/23/843298023.db2.gz CZORKOPNGXOXPB-SQJMNOBHSA-N 2 2 391.559 3.632 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512275093 843298034 /nfs/dbraw/zinc/29/80/34/843298034.db2.gz CZORKOPNGXOXPB-SQJMNOBHSA-N 2 2 391.559 3.632 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512275093 843298046 /nfs/dbraw/zinc/29/80/46/843298046.db2.gz CZORKOPNGXOXPB-SQJMNOBHSA-N 2 2 391.559 3.632 20 0 GHADLP c1csc(-c2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cs2)c1 ZINC000512417086 843736329 /nfs/dbraw/zinc/73/63/29/843736329.db2.gz XXPFBORAFGNMRW-UHFFFAOYSA-N 2 2 377.579 3.806 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)CCC2 ZINC000366208195 843761358 /nfs/dbraw/zinc/76/13/58/843761358.db2.gz GZAGMQVYXXKWDP-DOTOQJQBSA-N 2 2 388.943 3.749 20 0 GHADLP O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052003919 843842859 /nfs/dbraw/zinc/84/28/59/843842859.db2.gz SQTRCSHYVJFKAC-MRXNPFEDSA-N 2 2 387.351 3.683 20 0 GHADLP CCC1(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCOCC1 ZINC000512454526 843856081 /nfs/dbraw/zinc/85/60/81/843856081.db2.gz UICWACCTUGZBMC-UHFFFAOYSA-N 2 2 379.976 3.649 20 0 GHADLP CN(C(=O)[C@@H]1CC12CCCCC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535853071 844797056 /nfs/dbraw/zinc/79/70/56/844797056.db2.gz ACJUEDRNHSGEDJ-PWRODBHTSA-N 2 2 375.601 3.752 20 0 GHADLP CN(C(=O)[C@@H]1CC12CCCCC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535853071 844797060 /nfs/dbraw/zinc/79/70/60/844797060.db2.gz ACJUEDRNHSGEDJ-PWRODBHTSA-N 2 2 375.601 3.752 20 0 GHADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OC(F)(F)F)cc1 ZINC000513466864 845490919 /nfs/dbraw/zinc/49/09/19/845490919.db2.gz LQQQZFOSTWLBJT-BEFAXECRSA-N 2 2 394.437 3.655 20 0 GHADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OC(F)(F)F)cc1 ZINC000513466864 845490920 /nfs/dbraw/zinc/49/09/20/845490920.db2.gz LQQQZFOSTWLBJT-BEFAXECRSA-N 2 2 394.437 3.655 20 0 GHADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)[nH+]1 ZINC000513487318 845538096 /nfs/dbraw/zinc/53/80/96/845538096.db2.gz BCLCSTMPRJJKNB-QHCPKHFHSA-N 2 2 383.499 3.838 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000421380420 846190878 /nfs/dbraw/zinc/19/08/78/846190878.db2.gz JMZGBROJGWYFSQ-HZPDHXFCSA-N 2 2 393.597 3.709 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000421380420 846190880 /nfs/dbraw/zinc/19/08/80/846190880.db2.gz JMZGBROJGWYFSQ-HZPDHXFCSA-N 2 2 393.597 3.709 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000421380420 846190886 /nfs/dbraw/zinc/19/08/86/846190886.db2.gz JMZGBROJGWYFSQ-HZPDHXFCSA-N 2 2 393.597 3.709 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000421380420 846190891 /nfs/dbraw/zinc/19/08/91/846190891.db2.gz JMZGBROJGWYFSQ-HZPDHXFCSA-N 2 2 393.597 3.709 20 0 GHADLP O[C@@]1(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC[N@H+](Cc2ccccc2)C1 ZINC000431353889 846318175 /nfs/dbraw/zinc/31/81/75/846318175.db2.gz WFQKWBXVCCODHS-ILBGXUMGSA-N 2 2 392.543 3.616 20 0 GHADLP O[C@@]1(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC[N@@H+](Cc2ccccc2)C1 ZINC000431353889 846318187 /nfs/dbraw/zinc/31/81/87/846318187.db2.gz WFQKWBXVCCODHS-ILBGXUMGSA-N 2 2 392.543 3.616 20 0 GHADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccccc1I ZINC000502866749 846572605 /nfs/dbraw/zinc/57/26/05/846572605.db2.gz GGPTXBWIYPMNJO-RHSMWYFYSA-N 2 2 384.305 3.912 20 0 GHADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccccc1I ZINC000502866749 846572609 /nfs/dbraw/zinc/57/26/09/846572609.db2.gz GGPTXBWIYPMNJO-RHSMWYFYSA-N 2 2 384.305 3.912 20 0 GHADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000502866749 846572615 /nfs/dbraw/zinc/57/26/15/846572615.db2.gz GGPTXBWIYPMNJO-RHSMWYFYSA-N 2 2 384.305 3.912 20 0 GHADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000502866749 846572618 /nfs/dbraw/zinc/57/26/18/846572618.db2.gz GGPTXBWIYPMNJO-RHSMWYFYSA-N 2 2 384.305 3.912 20 0 GHADLP COc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C2CC2)c(F)c1 ZINC000421830502 846607721 /nfs/dbraw/zinc/60/77/21/846607721.db2.gz KBRRXUKVEQCRNM-XZOQPEGZSA-N 2 2 384.495 3.512 20 0 GHADLP COc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C2CC2)c(F)c1 ZINC000421830502 846607727 /nfs/dbraw/zinc/60/77/27/846607727.db2.gz KBRRXUKVEQCRNM-XZOQPEGZSA-N 2 2 384.495 3.512 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1OCCc2sccc21 ZINC000429130076 861713587 /nfs/dbraw/zinc/71/35/87/861713587.db2.gz BYDBCOZBNQTVGK-JLMWRMLUSA-N 2 2 386.561 3.631 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1OCCc2sccc21 ZINC000429130076 861713597 /nfs/dbraw/zinc/71/35/97/861713597.db2.gz BYDBCOZBNQTVGK-JLMWRMLUSA-N 2 2 386.561 3.631 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)CC1 ZINC000422005932 846745054 /nfs/dbraw/zinc/74/50/54/846745054.db2.gz KLHVKCRLAGMJSU-UHFFFAOYSA-N 2 2 399.510 3.718 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)CC1 ZINC000422005932 846745060 /nfs/dbraw/zinc/74/50/60/846745060.db2.gz KLHVKCRLAGMJSU-UHFFFAOYSA-N 2 2 399.510 3.718 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)c3ccc4ccccc4c3)CC2)CC1 ZINC000422025486 846755788 /nfs/dbraw/zinc/75/57/88/846755788.db2.gz SANJHRYMAANWMH-HXUWFJFHSA-N 2 2 393.575 3.962 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)c3ccc4ccccc4c3)CC2)CC1 ZINC000422025486 846755791 /nfs/dbraw/zinc/75/57/91/846755791.db2.gz SANJHRYMAANWMH-HXUWFJFHSA-N 2 2 393.575 3.962 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc(OC4CCCC4)c3)CC2)CC1 ZINC000422027695 846758801 /nfs/dbraw/zinc/75/88/01/846758801.db2.gz WPTCPEOOLGKSMF-UHFFFAOYSA-N 2 2 399.579 3.640 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc(OC4CCCC4)c3)CC2)CC1 ZINC000422027695 846758806 /nfs/dbraw/zinc/75/88/06/846758806.db2.gz WPTCPEOOLGKSMF-UHFFFAOYSA-N 2 2 399.579 3.640 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000503065582 846763669 /nfs/dbraw/zinc/76/36/69/846763669.db2.gz WSZIAJMUXHKCJV-OAOOKAIFSA-N 2 2 398.526 3.953 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000503065582 846763675 /nfs/dbraw/zinc/76/36/75/846763675.db2.gz WSZIAJMUXHKCJV-OAOOKAIFSA-N 2 2 398.526 3.953 20 0 GHADLP COc1ccc([C@H](CNC(=O)NCc2cc(C)[nH+]c(C)c2)[NH+]2CCCCC2)cc1 ZINC000422129595 846830825 /nfs/dbraw/zinc/83/08/25/846830825.db2.gz GXJIGRHGMCJBAP-QFIPXVFZSA-N 2 2 396.535 3.733 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1ccsc1 ZINC000501488849 846950731 /nfs/dbraw/zinc/95/07/31/846950731.db2.gz CVGLDGPAVPPNDK-QZTJIDSGSA-N 2 2 394.972 3.606 20 0 GHADLP C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272420651 847073422 /nfs/dbraw/zinc/07/34/22/847073422.db2.gz GLSSSUMVDZRFME-WMZHIEFXSA-N 2 2 388.515 3.572 20 0 GHADLP C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272420651 847073430 /nfs/dbraw/zinc/07/34/30/847073430.db2.gz GLSSSUMVDZRFME-WMZHIEFXSA-N 2 2 388.515 3.572 20 0 GHADLP CN(C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C(c1ccccc1)c1ccccc1 ZINC000647899572 847084917 /nfs/dbraw/zinc/08/49/17/847084917.db2.gz POZLMVGOTRGLJP-XZOQPEGZSA-N 2 2 391.559 3.698 20 0 GHADLP CN(C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C(c1ccccc1)c1ccccc1 ZINC000647899572 847084926 /nfs/dbraw/zinc/08/49/26/847084926.db2.gz POZLMVGOTRGLJP-XZOQPEGZSA-N 2 2 391.559 3.698 20 0 GHADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CCCCC1 ZINC000420363682 847140076 /nfs/dbraw/zinc/14/00/76/847140076.db2.gz PTZKIGXUZYKMRT-HNNXBMFYSA-N 2 2 377.838 3.795 20 0 GHADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1ccc(OCc2ccccc2)cc1)C1CCCCC1 ZINC000420362992 847140327 /nfs/dbraw/zinc/14/03/27/847140327.db2.gz OPYGGLZRNSNORM-JOCHJYFZSA-N 2 2 381.520 3.701 20 0 GHADLP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000158688217 847226142 /nfs/dbraw/zinc/22/61/42/847226142.db2.gz DJMIGUJONPNZTQ-GOSISDBHSA-N 2 2 386.561 3.795 20 0 GHADLP CCC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668616572 847267545 /nfs/dbraw/zinc/26/75/45/847267545.db2.gz DNDSQGBDVASUPF-RTWAWAEBSA-N 2 2 391.987 3.851 20 0 GHADLP CCC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668616572 847267550 /nfs/dbraw/zinc/26/75/50/847267550.db2.gz DNDSQGBDVASUPF-RTWAWAEBSA-N 2 2 391.987 3.851 20 0 GHADLP Cc1ccc(C(=O)C2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000420904242 847522387 /nfs/dbraw/zinc/52/23/87/847522387.db2.gz PGPPOSZJSXZOOI-UHFFFAOYSA-N 2 2 392.543 3.922 20 0 GHADLP Fc1ccc(C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CCOCC2)cc1 ZINC000420926190 847545322 /nfs/dbraw/zinc/54/53/22/847545322.db2.gz XNSZOFARYDRGAD-UHFFFAOYSA-N 2 2 398.522 3.839 20 0 GHADLP Fc1ccc(C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CCOCC2)cc1 ZINC000420926190 847545329 /nfs/dbraw/zinc/54/53/29/847545329.db2.gz XNSZOFARYDRGAD-UHFFFAOYSA-N 2 2 398.522 3.839 20 0 GHADLP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503404534 847668704 /nfs/dbraw/zinc/66/87/04/847668704.db2.gz GYJJDYFOABTBAY-UYAOXDASSA-N 2 2 392.547 3.767 20 0 GHADLP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503404534 847668709 /nfs/dbraw/zinc/66/87/09/847668709.db2.gz GYJJDYFOABTBAY-UYAOXDASSA-N 2 2 392.547 3.767 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407234 847670576 /nfs/dbraw/zinc/67/05/76/847670576.db2.gz OXOXTMOKTUXMJF-QWFCFKBJSA-N 2 2 392.547 3.765 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407234 847670584 /nfs/dbraw/zinc/67/05/84/847670584.db2.gz OXOXTMOKTUXMJF-QWFCFKBJSA-N 2 2 392.547 3.765 20 0 GHADLP FC(F)(F)C(F)(F)COCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503408675 847673583 /nfs/dbraw/zinc/67/35/83/847673583.db2.gz UMIITDIDDIMICP-CYBMUJFWSA-N 2 2 381.389 3.613 20 0 GHADLP FC(F)(F)C(F)(F)COCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503408675 847673588 /nfs/dbraw/zinc/67/35/88/847673588.db2.gz UMIITDIDDIMICP-CYBMUJFWSA-N 2 2 381.389 3.613 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000152815293 847767052 /nfs/dbraw/zinc/76/70/52/847767052.db2.gz IMYLWHZCCSECFX-MSYCTHLASA-N 2 2 382.527 3.547 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000152815293 847767060 /nfs/dbraw/zinc/76/70/60/847767060.db2.gz IMYLWHZCCSECFX-MSYCTHLASA-N 2 2 382.527 3.547 20 0 GHADLP COc1ccc([C@@H](NCc2ccccc2Cn2cc[nH+]c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422802401 847829866 /nfs/dbraw/zinc/82/98/66/847829866.db2.gz BHDQESRBPQGZOZ-DHIUTWEWSA-N 2 2 376.504 3.523 20 0 GHADLP COc1ccc([C@H](NCc2ccccc2Cn2cc[nH+]c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422802402 847829908 /nfs/dbraw/zinc/82/99/08/847829908.db2.gz BHDQESRBPQGZOZ-GOTSBHOMSA-N 2 2 376.504 3.523 20 0 GHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000179956469 861868516 /nfs/dbraw/zinc/86/85/16/861868516.db2.gz CWDGHNNTXPIVCS-MRXNPFEDSA-N 2 2 391.357 3.799 20 0 GHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000179956469 861868539 /nfs/dbraw/zinc/86/85/39/861868539.db2.gz CWDGHNNTXPIVCS-MRXNPFEDSA-N 2 2 391.357 3.799 20 0 GHADLP CC[NH+](CC)CC1CC[NH+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000472259876 848393781 /nfs/dbraw/zinc/39/37/81/848393781.db2.gz SSITWTPPBJSDEO-UHFFFAOYSA-N 2 2 394.625 3.812 20 0 GHADLP O=C(NCC[NH+]1Cc2ccccc2C1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604184275 861909173 /nfs/dbraw/zinc/90/91/73/861909173.db2.gz BDPXEKRIQIOZAH-HSZRJFAPSA-N 2 2 392.547 3.529 20 0 GHADLP [NH3+][C@H](CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000237869216 848751428 /nfs/dbraw/zinc/75/14/28/848751428.db2.gz HBFYYXFWAVQWSX-UYAOXDASSA-N 2 2 389.902 3.650 20 0 GHADLP [NH3+][C@H](CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000237869216 848751439 /nfs/dbraw/zinc/75/14/39/848751439.db2.gz HBFYYXFWAVQWSX-UYAOXDASSA-N 2 2 389.902 3.650 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000423112781 849759747 /nfs/dbraw/zinc/75/97/47/849759747.db2.gz XVXUSQNWRLVKPU-ZMYBRWDISA-N 2 2 386.458 3.530 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(Br)c(F)c1 ZINC000423237109 849808412 /nfs/dbraw/zinc/80/84/12/849808412.db2.gz SWOZTECILBXTFE-GFCCVEGCSA-N 2 2 379.277 3.566 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000423316771 849854178 /nfs/dbraw/zinc/85/41/78/849854178.db2.gz ALVPWBIQOJJIFC-LKUPVBHCSA-N 2 2 384.520 3.817 20 0 GHADLP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423529404 849957826 /nfs/dbraw/zinc/95/78/26/849957826.db2.gz VJBWXWPYHMBYAA-AAEUAGOBSA-N 2 2 396.354 3.520 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(-c2ccccc2Br)s1 ZINC000423522942 849966644 /nfs/dbraw/zinc/96/66/44/849966644.db2.gz MLDUDUJDUZBZIE-QWHCGFSZSA-N 2 2 381.339 3.817 20 0 GHADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccc2c(c1)CCCC2 ZINC000434994526 849982097 /nfs/dbraw/zinc/98/20/97/849982097.db2.gz BUCOVHOFGQDAMO-SJORKVTESA-N 2 2 380.536 3.734 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C(F)(F)F ZINC000514599932 850043131 /nfs/dbraw/zinc/04/31/31/850043131.db2.gz QRUTZCLKEGMUEZ-IBGZPJMESA-N 2 2 375.394 3.611 20 0 GHADLP Fc1cc2c(cc1Br)[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CO2 ZINC000504547750 850140127 /nfs/dbraw/zinc/14/01/27/850140127.db2.gz SFKYHBIOLGUFGE-INIZCTEOSA-N 2 2 392.272 3.675 20 0 GHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3ccc4c(c3)OC(F)(F)O4)C2)CC1 ZINC000424194226 850283676 /nfs/dbraw/zinc/28/36/76/850283676.db2.gz RZNNRYKMQLRSSD-UHFFFAOYSA-N 2 2 392.368 3.903 20 0 GHADLP C[C@@H](c1cccc(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)c1)[NH+]1CCOCC1 ZINC000514860561 850397435 /nfs/dbraw/zinc/39/74/35/850397435.db2.gz MDYIVOCFVGYCGD-UWJYYQICSA-N 2 2 381.520 3.745 20 0 GHADLP CC[N@H+](Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000435390690 850455937 /nfs/dbraw/zinc/45/59/37/850455937.db2.gz PVUHIVBWQSMJDU-INIZCTEOSA-N 2 2 377.330 3.803 20 0 GHADLP CC[N@@H+](Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000435390690 850455945 /nfs/dbraw/zinc/45/59/45/850455945.db2.gz PVUHIVBWQSMJDU-INIZCTEOSA-N 2 2 377.330 3.803 20 0 GHADLP Cc1cc(NC(=O)C[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1Br ZINC000425367387 850458148 /nfs/dbraw/zinc/45/81/48/850458148.db2.gz HWVBCEKYYVDYEI-UHFFFAOYSA-N 2 2 382.346 3.549 20 0 GHADLP CCOc1ccccc1NC(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435684339 850750672 /nfs/dbraw/zinc/75/06/72/850750672.db2.gz VAVYKIBUWCNEOS-HXUWFJFHSA-N 2 2 399.560 3.730 20 0 GHADLP CCOc1ccccc1NC(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435684339 850750676 /nfs/dbraw/zinc/75/06/76/850750676.db2.gz VAVYKIBUWCNEOS-HXUWFJFHSA-N 2 2 399.560 3.730 20 0 GHADLP c1cc(C[N@H+](Cc2nc(-c3ccccc3)no2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435696310 850778419 /nfs/dbraw/zinc/77/84/19/850778419.db2.gz PKUCNDQCTOFHBM-GOSISDBHSA-N 2 2 380.517 3.942 20 0 GHADLP c1cc(C[N@@H+](Cc2nc(-c3ccccc3)no2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435696310 850778426 /nfs/dbraw/zinc/77/84/26/850778426.db2.gz PKUCNDQCTOFHBM-GOSISDBHSA-N 2 2 380.517 3.942 20 0 GHADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(Oc3cnccn3)cc2)cc1 ZINC000414875839 851060993 /nfs/dbraw/zinc/06/09/93/851060993.db2.gz CKJPXZKGLPTJPF-YADHBBJMSA-N 2 2 390.487 3.513 20 0 GHADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000514083688 851219742 /nfs/dbraw/zinc/21/97/42/851219742.db2.gz MGPZBRLEPVGVFD-WWJQXNHESA-N 2 2 382.552 3.643 20 0 GHADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000514083688 851219754 /nfs/dbraw/zinc/21/97/54/851219754.db2.gz MGPZBRLEPVGVFD-WWJQXNHESA-N 2 2 382.552 3.643 20 0 GHADLP CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000111056152 851517840 /nfs/dbraw/zinc/51/78/40/851517840.db2.gz IKSWMGLSWRMPGD-SFTDATJTSA-N 2 2 387.568 3.652 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc3ccc(F)cc3[nH]2)[C@@H]1c1cnn(C)c1 ZINC000488523240 851582699 /nfs/dbraw/zinc/58/26/99/851582699.db2.gz BGWYFUUSHLHXLP-HTAPYJJXSA-N 2 2 383.515 3.946 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc3ccc(F)cc3[nH]2)[C@@H]1c1cnn(C)c1 ZINC000488523240 851582703 /nfs/dbraw/zinc/58/27/03/851582703.db2.gz BGWYFUUSHLHXLP-HTAPYJJXSA-N 2 2 383.515 3.946 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc3ccc(F)cc3[nH]2)[C@@H]1c1cnn(C)c1 ZINC000488523240 851582707 /nfs/dbraw/zinc/58/27/07/851582707.db2.gz BGWYFUUSHLHXLP-HTAPYJJXSA-N 2 2 383.515 3.946 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc3ccc(F)cc3[nH]2)[C@@H]1c1cnn(C)c1 ZINC000488523240 851582717 /nfs/dbraw/zinc/58/27/17/851582717.db2.gz BGWYFUUSHLHXLP-HTAPYJJXSA-N 2 2 383.515 3.946 20 0 GHADLP O=C(c1ccc(Cl)cc1)N1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000101545422 851656209 /nfs/dbraw/zinc/65/62/09/851656209.db2.gz NTJPLPPDAUSSTK-UHFFFAOYSA-N 2 2 394.906 3.874 20 0 GHADLP O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000101545422 851656212 /nfs/dbraw/zinc/65/62/12/851656212.db2.gz NTJPLPPDAUSSTK-UHFFFAOYSA-N 2 2 394.906 3.874 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000438104730 852034006 /nfs/dbraw/zinc/03/40/06/852034006.db2.gz MCODKUNDXCKEPC-GCJKJVERSA-N 2 2 396.531 3.967 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000438104730 852034015 /nfs/dbraw/zinc/03/40/15/852034015.db2.gz MCODKUNDXCKEPC-GCJKJVERSA-N 2 2 396.531 3.967 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000438104730 852034024 /nfs/dbraw/zinc/03/40/24/852034024.db2.gz MCODKUNDXCKEPC-GCJKJVERSA-N 2 2 396.531 3.967 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000438104730 852034031 /nfs/dbraw/zinc/03/40/31/852034031.db2.gz MCODKUNDXCKEPC-GCJKJVERSA-N 2 2 396.531 3.967 20 0 GHADLP CC(=O)N(c1nc(C[NH+]2CCC(C[NH+](C)C)CC2)cs1)c1ccc(F)cc1 ZINC000506931500 852357517 /nfs/dbraw/zinc/35/75/17/852357517.db2.gz WUKXMCHVATWHBX-UHFFFAOYSA-N 2 2 390.528 3.740 20 0 GHADLP Cc1ccc(C[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000489708834 852538175 /nfs/dbraw/zinc/53/81/75/852538175.db2.gz AOAVHZMKBCKZPK-NKKJXINNSA-N 2 2 399.623 3.969 20 0 GHADLP Cc1ccc(C[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000489708834 852538178 /nfs/dbraw/zinc/53/81/78/852538178.db2.gz AOAVHZMKBCKZPK-NKKJXINNSA-N 2 2 399.623 3.969 20 0 GHADLP CCC[C@H]1CCCC[C@@H]1NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000516561606 852726463 /nfs/dbraw/zinc/72/64/63/852726463.db2.gz FWTAFHXDKGEUOE-FPOVZHCZSA-N 2 2 378.605 3.547 20 0 GHADLP CCC[C@H]1CCCC[C@@H]1NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000516561606 852726474 /nfs/dbraw/zinc/72/64/74/852726474.db2.gz FWTAFHXDKGEUOE-FPOVZHCZSA-N 2 2 378.605 3.547 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490088915 852765115 /nfs/dbraw/zinc/76/51/15/852765115.db2.gz NALMFXGCXGGLJF-LJQANCHMSA-N 2 2 389.341 3.519 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490088915 852765121 /nfs/dbraw/zinc/76/51/21/852765121.db2.gz NALMFXGCXGGLJF-LJQANCHMSA-N 2 2 389.341 3.519 20 0 GHADLP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[NH2+]Cc2ccccc21 ZINC000516927500 853165110 /nfs/dbraw/zinc/16/51/10/853165110.db2.gz NZDQARXKYWWPMT-GOSISDBHSA-N 2 2 378.520 3.630 20 0 GHADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)NC1CC[NH+](C2CC2)CC1 ZINC000439036100 853212462 /nfs/dbraw/zinc/21/24/62/853212462.db2.gz FHTMWYCOCZJUCB-UHFFFAOYSA-N 2 2 379.508 3.635 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000439080772 853266685 /nfs/dbraw/zinc/26/66/85/853266685.db2.gz VVGLCVFESONDSV-CQSZACIVSA-N 2 2 382.439 3.829 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000491062803 853433095 /nfs/dbraw/zinc/43/30/95/853433095.db2.gz SUMUBEDYYJTHRF-OAQYLSRUSA-N 2 2 384.568 3.554 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000491062803 853433105 /nfs/dbraw/zinc/43/31/05/853433105.db2.gz SUMUBEDYYJTHRF-OAQYLSRUSA-N 2 2 384.568 3.554 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000440798453 853617440 /nfs/dbraw/zinc/61/74/40/853617440.db2.gz PPRYQZCONWICBD-VCOUNFBDSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000440798453 853617447 /nfs/dbraw/zinc/61/74/47/853617447.db2.gz PPRYQZCONWICBD-VCOUNFBDSA-N 2 2 397.567 3.661 20 0 GHADLP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000415969652 853679320 /nfs/dbraw/zinc/67/93/20/853679320.db2.gz YRXLFQKTPSZCII-OALUTQOASA-N 2 2 390.890 3.765 20 0 GHADLP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000415969652 853679327 /nfs/dbraw/zinc/67/93/27/853679327.db2.gz YRXLFQKTPSZCII-OALUTQOASA-N 2 2 390.890 3.765 20 0 GHADLP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000556051597 862499549 /nfs/dbraw/zinc/49/95/49/862499549.db2.gz GBNQLHNKSUBPIH-DSNGMDLFSA-N 2 2 393.575 3.793 20 0 GHADLP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000556051597 862499555 /nfs/dbraw/zinc/49/95/55/862499555.db2.gz GBNQLHNKSUBPIH-DSNGMDLFSA-N 2 2 393.575 3.793 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000156766223 854255061 /nfs/dbraw/zinc/25/50/61/854255061.db2.gz WVVSFTGBSUEKEV-YLJYHZDGSA-N 2 2 388.556 3.596 20 0 GHADLP C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156832892 854403536 /nfs/dbraw/zinc/40/35/36/854403536.db2.gz GWFUFZREKSFDIZ-KUHUBIRLSA-N 2 2 399.878 3.681 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC(Nc3nc(C)[nH+]c4c3CCCC4)CC2)cc1 ZINC000572234046 854448889 /nfs/dbraw/zinc/44/88/89/854448889.db2.gz CZNDPGLKGFLNBS-UHFFFAOYSA-N 2 2 393.535 3.699 20 0 GHADLP Cc1cc(NCC2([NH+](C)C)CCOCC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000604882937 862599273 /nfs/dbraw/zinc/59/92/73/862599273.db2.gz IDOHMOVLSKHKNA-UHFFFAOYSA-N 2 2 383.414 3.965 20 0 GHADLP Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CCC2 ZINC000765792186 854824961 /nfs/dbraw/zinc/82/49/61/854824961.db2.gz PRSBLMXHMFUHGM-HDMKZQKVSA-N 2 2 387.524 3.779 20 0 GHADLP Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCC2 ZINC000765792186 854824966 /nfs/dbraw/zinc/82/49/66/854824966.db2.gz PRSBLMXHMFUHGM-HDMKZQKVSA-N 2 2 387.524 3.779 20 0 GHADLP CN(C(=O)[C@@H]1CCC=CCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001128012107 854826895 /nfs/dbraw/zinc/82/68/95/854826895.db2.gz XNBSAKMRLOQWEY-CEMLEFRQSA-N 2 2 375.601 3.919 20 0 GHADLP CN(C(=O)[C@@H]1CCC=CCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001128012107 854826900 /nfs/dbraw/zinc/82/69/00/854826900.db2.gz XNBSAKMRLOQWEY-CEMLEFRQSA-N 2 2 375.601 3.919 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000482017046 862632448 /nfs/dbraw/zinc/63/24/48/862632448.db2.gz PHKUMNNLGWPERT-MOPGFXCFSA-N 2 2 385.577 3.811 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000482017046 862632455 /nfs/dbraw/zinc/63/24/55/862632455.db2.gz PHKUMNNLGWPERT-MOPGFXCFSA-N 2 2 385.577 3.811 20 0 GHADLP C[C@@H](Oc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1)c1ccccc1 ZINC000624086514 862635123 /nfs/dbraw/zinc/63/51/23/862635123.db2.gz JBEMOMUIGRFTGV-YYDVJCTNSA-N 2 2 395.547 3.817 20 0 GHADLP C[C@@H](Oc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1)c1ccccc1 ZINC000624086514 862635127 /nfs/dbraw/zinc/63/51/27/862635127.db2.gz JBEMOMUIGRFTGV-YYDVJCTNSA-N 2 2 395.547 3.817 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000624086511 862635527 /nfs/dbraw/zinc/63/55/27/862635527.db2.gz JBEMOMUIGRFTGV-MSYCTHLASA-N 2 2 395.547 3.817 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000624086511 862635532 /nfs/dbraw/zinc/63/55/32/862635532.db2.gz JBEMOMUIGRFTGV-MSYCTHLASA-N 2 2 395.547 3.817 20 0 GHADLP Cc1cc2c(ncnc2N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)s1 ZINC000189529751 855125691 /nfs/dbraw/zinc/12/56/91/855125691.db2.gz KDBCFQFPPMWECG-UHFFFAOYSA-N 2 2 390.516 3.508 20 0 GHADLP O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536369150 855152600 /nfs/dbraw/zinc/15/26/00/855152600.db2.gz GSQXOFYWZYGBAG-HNNXBMFYSA-N 2 2 396.318 3.705 20 0 GHADLP Cc1csc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000459018906 855208380 /nfs/dbraw/zinc/20/83/80/855208380.db2.gz MZKGEGZUSFAEOD-WOJBJXKFSA-N 2 2 392.613 3.535 20 0 GHADLP Cc1csc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000459018906 855208389 /nfs/dbraw/zinc/20/83/89/855208389.db2.gz MZKGEGZUSFAEOD-WOJBJXKFSA-N 2 2 392.613 3.535 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c(C)c1 ZINC000441499144 855479084 /nfs/dbraw/zinc/47/90/84/855479084.db2.gz GTJMIZAXKHUULR-IFMALSPDSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c(C)c1 ZINC000441499144 855479091 /nfs/dbraw/zinc/47/90/91/855479091.db2.gz GTJMIZAXKHUULR-IFMALSPDSA-N 2 2 397.567 3.661 20 0 GHADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000591083224 855752936 /nfs/dbraw/zinc/75/29/36/855752936.db2.gz RSVHKSBFQVXJFP-DHIUTWEWSA-N 2 2 388.515 3.620 20 0 GHADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000591083224 855752939 /nfs/dbraw/zinc/75/29/39/855752939.db2.gz RSVHKSBFQVXJFP-DHIUTWEWSA-N 2 2 388.515 3.620 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000191933347 855753437 /nfs/dbraw/zinc/75/34/37/855753437.db2.gz XLUWAOYWDVIQPC-FQEVSTJZSA-N 2 2 390.535 3.878 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000191933347 855753444 /nfs/dbraw/zinc/75/34/44/855753444.db2.gz XLUWAOYWDVIQPC-FQEVSTJZSA-N 2 2 390.535 3.878 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)o1 ZINC000591251429 855825283 /nfs/dbraw/zinc/82/52/83/855825283.db2.gz ATZCJZLBQYBOCR-KRWDZBQOSA-N 2 2 385.508 3.767 20 0 GHADLP COCCC[NH+]1CCC([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000237210663 855871060 /nfs/dbraw/zinc/87/10/60/855871060.db2.gz WWAMCQQSSKJTRR-UHFFFAOYSA-N 2 2 396.579 3.816 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCCCCn3cc[nH+]c3)cc2)C1 ZINC000057376124 855871955 /nfs/dbraw/zinc/87/19/55/855871955.db2.gz UOHJYIQVIHGVPR-WOJBJXKFSA-N 2 2 397.567 3.641 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(I)cc1 ZINC000614637365 855918464 /nfs/dbraw/zinc/91/84/64/855918464.db2.gz MBJKYKBTQMLOPO-CABCVRRESA-N 2 2 381.261 3.543 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1coc(-c2ccc(Br)cc2)n1 ZINC000181106086 862755039 /nfs/dbraw/zinc/75/50/39/862755039.db2.gz JZWAQJHJUFUPHP-UHFFFAOYSA-N 2 2 375.270 3.823 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1coc(-c2ccc(Br)cc2)n1 ZINC000181106086 862755044 /nfs/dbraw/zinc/75/50/44/862755044.db2.gz JZWAQJHJUFUPHP-UHFFFAOYSA-N 2 2 375.270 3.823 20 0 GHADLP C[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508898247 856082970 /nfs/dbraw/zinc/08/29/70/856082970.db2.gz PMJPXNSMAWMQTM-SIKLNZKXSA-N 2 2 397.567 3.776 20 0 GHADLP Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+](C)CCCn3cc[nH+]c3)n2)cc1 ZINC000181114025 862757695 /nfs/dbraw/zinc/75/76/95/862757695.db2.gz YVYAKDQTXZHKEA-INIZCTEOSA-N 2 2 383.521 3.664 20 0 GHADLP Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+](C)CCCn3cc[nH+]c3)n2)cc1 ZINC000181114025 862757702 /nfs/dbraw/zinc/75/77/02/862757702.db2.gz YVYAKDQTXZHKEA-INIZCTEOSA-N 2 2 383.521 3.664 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000591562446 856151796 /nfs/dbraw/zinc/15/17/96/856151796.db2.gz OJSFWQNLQDTMKA-NRFANRHFSA-N 2 2 388.600 3.831 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000591562446 856151800 /nfs/dbraw/zinc/15/18/00/856151800.db2.gz OJSFWQNLQDTMKA-NRFANRHFSA-N 2 2 388.600 3.831 20 0 GHADLP COC(=O)c1ccc(Cl)c(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000482165480 862765460 /nfs/dbraw/zinc/76/54/60/862765460.db2.gz RWGQZWOEMNHGLR-UHFFFAOYSA-N 2 2 383.879 3.704 20 0 GHADLP CC(C)(C)C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1 ZINC000507857797 856580571 /nfs/dbraw/zinc/58/05/71/856580571.db2.gz ANAYDXWTKOSTJD-UHFFFAOYSA-N 2 2 394.563 3.669 20 0 GHADLP CC(C)(C)C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1 ZINC000507857797 856580584 /nfs/dbraw/zinc/58/05/84/856580584.db2.gz ANAYDXWTKOSTJD-UHFFFAOYSA-N 2 2 394.563 3.669 20 0 GHADLP COc1ccc([C@@H]2C[C@H](N(c3cc[nH+]c(OC)c3)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168677941 856624630 /nfs/dbraw/zinc/62/46/30/856624630.db2.gz RNULZLQIHZPPLI-IRLDBZIGSA-N 2 2 397.519 3.578 20 0 GHADLP CN(C(=O)CCCc1csc2ccccc12)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674800300 856809889 /nfs/dbraw/zinc/80/98/89/856809889.db2.gz ZTRLNFOXDGXBHU-HXUWFJFHSA-N 2 2 399.604 3.851 20 0 GHADLP CN(C(=O)CCCc1csc2ccccc12)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674800300 856809898 /nfs/dbraw/zinc/80/98/98/856809898.db2.gz ZTRLNFOXDGXBHU-HXUWFJFHSA-N 2 2 399.604 3.851 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000427897505 856834590 /nfs/dbraw/zinc/83/45/90/856834590.db2.gz RJCPPSKVMVRMRC-WMZHIEFXSA-N 2 2 375.520 3.973 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000427897505 856834596 /nfs/dbraw/zinc/83/45/96/856834596.db2.gz RJCPPSKVMVRMRC-WMZHIEFXSA-N 2 2 375.520 3.973 20 0 GHADLP O=C(Nc1ccccc1)C1([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000427968969 856950451 /nfs/dbraw/zinc/95/04/51/856950451.db2.gz VUPJHPXUGOKPCB-KSEOMHKRSA-N 2 2 375.516 3.658 20 0 GHADLP O=C(Nc1ccccc1)C1([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000427968969 856950464 /nfs/dbraw/zinc/95/04/64/856950464.db2.gz VUPJHPXUGOKPCB-KSEOMHKRSA-N 2 2 375.516 3.658 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cnn1-c1cc(C)ccc1C ZINC000658294297 857258463 /nfs/dbraw/zinc/25/84/63/857258463.db2.gz MMRGXDJGUXJWTI-WIYYLYMNSA-N 2 2 382.552 3.701 20 0 GHADLP CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000574221602 857300984 /nfs/dbraw/zinc/30/09/84/857300984.db2.gz KXNGCKXPZXTEES-UHFFFAOYSA-N 2 2 382.533 3.689 20 0 GHADLP CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000574221602 857300992 /nfs/dbraw/zinc/30/09/92/857300992.db2.gz KXNGCKXPZXTEES-UHFFFAOYSA-N 2 2 382.533 3.689 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624189538 862914861 /nfs/dbraw/zinc/91/48/61/862914861.db2.gz QRYJDOBTBAKRJT-WMLDXEAASA-N 2 2 379.932 3.672 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624189538 862914874 /nfs/dbraw/zinc/91/48/74/862914874.db2.gz QRYJDOBTBAKRJT-WMLDXEAASA-N 2 2 379.932 3.672 20 0 GHADLP CN(C(=O)c1cccc(Nc2ccccc2)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000605306232 862920514 /nfs/dbraw/zinc/92/05/14/862920514.db2.gz JXIRAJXSMBIUBZ-QHCPKHFHSA-N 2 2 392.547 3.671 20 0 GHADLP CN(C(=O)c1cccc(Nc2ccccc2)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000605306232 862920524 /nfs/dbraw/zinc/92/05/24/862920524.db2.gz JXIRAJXSMBIUBZ-QHCPKHFHSA-N 2 2 392.547 3.671 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@H](C)c2cc3cc(Br)ccc3o2)CC1 ZINC000181581923 862928423 /nfs/dbraw/zinc/92/84/23/862928423.db2.gz MWQFUDMVDIWCIB-CYBMUJFWSA-N 2 2 381.314 3.957 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Oc2ccccc2)cc1 ZINC000675885488 857660194 /nfs/dbraw/zinc/66/01/94/857660194.db2.gz CIARTWAMJNMBPA-RBBKRZOGSA-N 2 2 395.547 3.536 20 0 GHADLP COc1ccc(C[C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1OC ZINC000675920288 857666058 /nfs/dbraw/zinc/66/60/58/857666058.db2.gz JVIKGJWPNBYCGY-PXNSSMCTSA-N 2 2 379.504 3.942 20 0 GHADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000675921730 857666119 /nfs/dbraw/zinc/66/61/19/857666119.db2.gz ZFNOJIVKXHZSLJ-WMZHIEFXSA-N 2 2 390.531 3.891 20 0 GHADLP COc1ccc2c(c1)OCC[C@H]2[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000675903384 857669230 /nfs/dbraw/zinc/66/92/30/857669230.db2.gz DAQGQRWJEGNNOQ-JOCHJYFZSA-N 2 2 384.495 3.955 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCC[C@H](c4ccccc4)C3)CC2)CC1 ZINC000486476161 857774489 /nfs/dbraw/zinc/77/44/89/857774489.db2.gz ZELBHDNSXFOUPY-RBBKRZOGSA-N 2 2 398.595 3.571 20 0 GHADLP O=C(NC1CC1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000065886956 857855943 /nfs/dbraw/zinc/85/59/43/857855943.db2.gz VOBGBQVEBBWAFB-OFNKIYASSA-N 2 2 377.532 3.508 20 0 GHADLP O=C(NC1CC1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000065886956 857855953 /nfs/dbraw/zinc/85/59/53/857855953.db2.gz VOBGBQVEBBWAFB-OFNKIYASSA-N 2 2 377.532 3.508 20 0 GHADLP CC(C)C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668638701 857875436 /nfs/dbraw/zinc/87/54/36/857875436.db2.gz ARLWQGIPNJEKRA-TZIWHRDSSA-N 2 2 391.987 3.754 20 0 GHADLP CC(C)C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668638701 857875441 /nfs/dbraw/zinc/87/54/41/857875441.db2.gz ARLWQGIPNJEKRA-TZIWHRDSSA-N 2 2 391.987 3.754 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000676487052 857915010 /nfs/dbraw/zinc/91/50/10/857915010.db2.gz IGWPZHAURSSMIU-QGZVFWFLSA-N 2 2 393.384 3.723 20 0 GHADLP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cccc(Oc3ccccn3)c2)CCC[N@@H+]1C ZINC000922118509 857930192 /nfs/dbraw/zinc/93/01/92/857930192.db2.gz ARTWSEBQXHUYQM-WMZHIEFXSA-N 2 2 391.519 3.780 20 0 GHADLP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cccc(Oc3ccccn3)c2)CCC[N@H+]1C ZINC000922118509 857930201 /nfs/dbraw/zinc/93/02/01/857930201.db2.gz ARTWSEBQXHUYQM-WMZHIEFXSA-N 2 2 391.519 3.780 20 0 GHADLP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)c2)cc1 ZINC000067693902 858059267 /nfs/dbraw/zinc/05/92/67/858059267.db2.gz ZMXWILIGYQUSIN-FGZHOGPDSA-N 2 2 379.504 3.664 20 0 GHADLP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)c2)cc1 ZINC000067693902 858059275 /nfs/dbraw/zinc/05/92/75/858059275.db2.gz ZMXWILIGYQUSIN-FGZHOGPDSA-N 2 2 379.504 3.664 20 0 GHADLP FC(F)C1CCC([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000442715701 858087245 /nfs/dbraw/zinc/08/72/45/858087245.db2.gz LRMSFOSDCSTEJQ-UHFFFAOYSA-N 2 2 379.539 3.998 20 0 GHADLP Cc1oc2nc(C[N@@H+]3CCCC[C@H]3[C@H](C[NH3+])Cc3ccccc3)nc(N)c2c1C ZINC000574637880 858125889 /nfs/dbraw/zinc/12/58/89/858125889.db2.gz JDTCDJRCBSGQJH-OALUTQOASA-N 2 2 393.535 3.594 20 0 GHADLP Cc1oc2nc(C[N@H+]3CCCC[C@H]3[C@H](C[NH3+])Cc3ccccc3)nc(N)c2c1C ZINC000574637880 858125901 /nfs/dbraw/zinc/12/59/01/858125901.db2.gz JDTCDJRCBSGQJH-OALUTQOASA-N 2 2 393.535 3.594 20 0 GHADLP C[N@H+](CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442769180 858128269 /nfs/dbraw/zinc/12/82/69/858128269.db2.gz NBMVGEJTAMJVRH-MXHMCPQYSA-N 2 2 397.950 3.760 20 0 GHADLP C[N@@H+](CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442769180 858128271 /nfs/dbraw/zinc/12/82/71/858128271.db2.gz NBMVGEJTAMJVRH-MXHMCPQYSA-N 2 2 397.950 3.760 20 0 GHADLP Cc1ccc(CN(C(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C2CC2)cc1 ZINC000543060265 858135646 /nfs/dbraw/zinc/13/56/46/858135646.db2.gz DUBPWSDNLHQHON-UHFFFAOYSA-N 2 2 394.563 3.875 20 0 GHADLP [NH3+]CCCC[C@H]([NH2+][C@H]1Cc2cccc(Cl)c2C1)C(=O)OCc1ccccc1 ZINC001168703087 858174623 /nfs/dbraw/zinc/17/46/23/858174623.db2.gz ZADCAOYCOFNBBA-RXVVDRJESA-N 2 2 386.923 3.638 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@H]2CCc3cc(F)ccc3C2)cs1 ZINC001168405297 858251924 /nfs/dbraw/zinc/25/19/24/858251924.db2.gz QSUHXMMQNHNEKO-KRWDZBQOSA-N 2 2 379.570 3.724 20 0 GHADLP C[C@H](C[NH2+]Cc1cc(Cl)ccc1I)Cn1cc[nH+]c1 ZINC000594917734 858304431 /nfs/dbraw/zinc/30/44/31/858304431.db2.gz MSRFKNZSQSXCKH-LLVKDONJSA-N 2 2 389.668 3.567 20 0 GHADLP C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158955693 858666950 /nfs/dbraw/zinc/66/69/50/858666950.db2.gz PFFQZUORTOEWJI-MOPGFXCFSA-N 2 2 382.556 3.700 20 0 GHADLP C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158955693 858666955 /nfs/dbraw/zinc/66/69/55/858666955.db2.gz PFFQZUORTOEWJI-MOPGFXCFSA-N 2 2 382.556 3.700 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)C1CCC(F)(F)CC1 ZINC000474053947 858725258 /nfs/dbraw/zinc/72/52/58/858725258.db2.gz FKIZUBBLPHBMRY-QGZVFWFLSA-N 2 2 382.495 3.701 20 0 GHADLP COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)s1 ZINC000595921753 858734993 /nfs/dbraw/zinc/73/49/93/858734993.db2.gz XGTOLFSDNQEEBF-KRWDZBQOSA-N 2 2 396.516 3.803 20 0 GHADLP COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)s1 ZINC000595921753 858734999 /nfs/dbraw/zinc/73/49/99/858734999.db2.gz XGTOLFSDNQEEBF-KRWDZBQOSA-N 2 2 396.516 3.803 20 0 GHADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000596112132 858797262 /nfs/dbraw/zinc/79/72/62/858797262.db2.gz XDCHXYRVOVRTSS-IBGZPJMESA-N 2 2 398.378 3.948 20 0 GHADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000596112132 858797269 /nfs/dbraw/zinc/79/72/69/858797269.db2.gz XDCHXYRVOVRTSS-IBGZPJMESA-N 2 2 398.378 3.948 20 0 GHADLP COC(=O)Cc1cc[nH+]c(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000596524694 858922762 /nfs/dbraw/zinc/92/27/62/858922762.db2.gz CYFFBZXCEJFOLW-FQEVSTJZSA-N 2 2 379.504 3.511 20 0 GHADLP COC(=O)Cc1cc[nH+]c(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000596524694 858922772 /nfs/dbraw/zinc/92/27/72/858922772.db2.gz CYFFBZXCEJFOLW-FQEVSTJZSA-N 2 2 379.504 3.511 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ncc(CSC)s3)C2)ccn1 ZINC000856549776 881364483 /nfs/dbraw/zinc/36/44/83/881364483.db2.gz UUXSKTPSHIXEOM-QGZVFWFLSA-N 2 2 392.594 3.506 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ncc(CSC)s3)C2)ccn1 ZINC000856549776 881364507 /nfs/dbraw/zinc/36/45/07/881364507.db2.gz UUXSKTPSHIXEOM-QGZVFWFLSA-N 2 2 392.594 3.506 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ncc(CSC)s3)C2)ccn1 ZINC000856549776 881364529 /nfs/dbraw/zinc/36/45/29/881364529.db2.gz UUXSKTPSHIXEOM-QGZVFWFLSA-N 2 2 392.594 3.506 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ncc(CSC)s3)C2)ccn1 ZINC000856549776 881364550 /nfs/dbraw/zinc/36/45/50/881364550.db2.gz UUXSKTPSHIXEOM-QGZVFWFLSA-N 2 2 392.594 3.506 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000668171802 858993502 /nfs/dbraw/zinc/99/35/02/858993502.db2.gz XBLCSBRTHOZFAK-DEOSSOPVSA-N 2 2 380.532 3.951 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000668171802 858993507 /nfs/dbraw/zinc/99/35/07/858993507.db2.gz XBLCSBRTHOZFAK-DEOSSOPVSA-N 2 2 380.532 3.951 20 0 GHADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000443598610 859029101 /nfs/dbraw/zinc/02/91/01/859029101.db2.gz AKNULNQCBVLJQR-LJQANCHMSA-N 2 2 399.539 3.594 20 0 GHADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000443598610 859029103 /nfs/dbraw/zinc/02/91/03/859029103.db2.gz AKNULNQCBVLJQR-LJQANCHMSA-N 2 2 399.539 3.594 20 0 GHADLP CC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1OCC(=O)N(C)C ZINC000483149177 859181879 /nfs/dbraw/zinc/18/18/79/859181879.db2.gz NFAHGWVTROGHIZ-NRFANRHFSA-N 2 2 392.503 3.580 20 0 GHADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(Br)o3)CC2)C[C@H](C)O1 ZINC000483291239 859274743 /nfs/dbraw/zinc/27/47/43/859274743.db2.gz BEGOXBNOOHCSKJ-GASCZTMLSA-N 2 2 385.346 3.753 20 0 GHADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(Br)o3)CC2)C[C@H](C)O1 ZINC000483291239 859274754 /nfs/dbraw/zinc/27/47/54/859274754.db2.gz BEGOXBNOOHCSKJ-GASCZTMLSA-N 2 2 385.346 3.753 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000522399554 859338644 /nfs/dbraw/zinc/33/86/44/859338644.db2.gz QTXUDHMDPFPEPS-UHFFFAOYSA-N 2 2 391.519 3.714 20 0 GHADLP CCn1c(C[NH2+]C2CC[NH+](C(C)C)CC2)nc2cc(Br)ccc21 ZINC000483490172 859397112 /nfs/dbraw/zinc/39/71/12/859397112.db2.gz LPKWJZXYXNTYST-UHFFFAOYSA-N 2 2 379.346 3.781 20 0 GHADLP O[C@H]1CCC[C@]1(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)Cc1ccc(F)cc1 ZINC000429459512 859421373 /nfs/dbraw/zinc/42/13/73/859421373.db2.gz WAYHSQXJZYVTFQ-JTHBVZDNSA-N 2 2 383.511 3.553 20 0 GHADLP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191832207 859506395 /nfs/dbraw/zinc/50/63/95/859506395.db2.gz ROJAVERCVBMCRL-CTNGQTDRSA-N 2 2 398.547 3.954 20 0 GHADLP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191832207 859506406 /nfs/dbraw/zinc/50/64/06/859506406.db2.gz ROJAVERCVBMCRL-CTNGQTDRSA-N 2 2 398.547 3.954 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191835907 859515043 /nfs/dbraw/zinc/51/50/43/859515043.db2.gz POLGSHPKQYBXIB-GHTZIAJQSA-N 2 2 384.520 3.646 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191835907 859515050 /nfs/dbraw/zinc/51/50/50/859515050.db2.gz POLGSHPKQYBXIB-GHTZIAJQSA-N 2 2 384.520 3.646 20 0 GHADLP COc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1SC ZINC000484126744 859817344 /nfs/dbraw/zinc/81/73/44/859817344.db2.gz JEQAXZWAYRHQIR-HTAPYJJXSA-N 2 2 386.561 3.705 20 0 GHADLP COc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1SC ZINC000484126744 859817353 /nfs/dbraw/zinc/81/73/53/859817353.db2.gz JEQAXZWAYRHQIR-HTAPYJJXSA-N 2 2 386.561 3.705 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1OC(F)F ZINC000484139270 859826784 /nfs/dbraw/zinc/82/67/84/859826784.db2.gz DXMFRIOHWGGOPO-HQRMLTQVSA-N 2 2 390.474 3.822 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1OC(F)F ZINC000484139270 859826789 /nfs/dbraw/zinc/82/67/89/859826789.db2.gz DXMFRIOHWGGOPO-HQRMLTQVSA-N 2 2 390.474 3.822 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OC)c(OC)c1 ZINC000484149668 859837913 /nfs/dbraw/zinc/83/79/13/859837913.db2.gz WLRBXCPNQFVYAL-FSSWDIPSSA-N 2 2 398.547 3.628 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OC)c(OC)c1 ZINC000484149668 859837923 /nfs/dbraw/zinc/83/79/23/859837923.db2.gz WLRBXCPNQFVYAL-FSSWDIPSSA-N 2 2 398.547 3.628 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000484151427 859838498 /nfs/dbraw/zinc/83/84/98/859838498.db2.gz GSRYGKVDKWRDHE-ACIOBRDBSA-N 2 2 392.543 3.906 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000484151427 859838506 /nfs/dbraw/zinc/83/85/06/859838506.db2.gz GSRYGKVDKWRDHE-ACIOBRDBSA-N 2 2 392.543 3.906 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCCCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000602205068 859850042 /nfs/dbraw/zinc/85/00/42/859850042.db2.gz QYDAYLRTYTVGAA-JOCHJYFZSA-N 2 2 399.623 3.982 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCCCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000602205068 859850055 /nfs/dbraw/zinc/85/00/55/859850055.db2.gz QYDAYLRTYTVGAA-JOCHJYFZSA-N 2 2 399.623 3.982 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000484178716 859866731 /nfs/dbraw/zinc/86/67/31/859866731.db2.gz XGVRBSVPCGJFCK-UZLBHIALSA-N 2 2 389.337 3.737 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000484178716 859866743 /nfs/dbraw/zinc/86/67/43/859866743.db2.gz XGVRBSVPCGJFCK-UZLBHIALSA-N 2 2 389.337 3.737 20 0 GHADLP C[C@H]1C[C@H](c2ccccc2)[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000513261774 859875408 /nfs/dbraw/zinc/87/54/08/859875408.db2.gz PBFBMIIRLKEJBB-WMZHIEFXSA-N 2 2 393.531 3.540 20 0 GHADLP C[C@H]1C[C@H](c2ccccc2)[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000513261774 859875414 /nfs/dbraw/zinc/87/54/14/859875414.db2.gz PBFBMIIRLKEJBB-WMZHIEFXSA-N 2 2 393.531 3.540 20 0 GHADLP CCc1cccc(Cl)c1C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000474345111 859889770 /nfs/dbraw/zinc/88/97/70/859889770.db2.gz FORGTXLFXLLHIY-UHFFFAOYSA-N 2 2 385.939 3.580 20 0 GHADLP C[C@H]1CC([NH2+]C2CC[NH+](CC3CCOCC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168034525 860035208 /nfs/dbraw/zinc/03/52/08/860035208.db2.gz QGDWUQWRWNIYKT-SFTDATJTSA-N 3 2 399.623 3.909 20 0 GHADLP C[C@H](CCC1CCCCC1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000115675739 860075170 /nfs/dbraw/zinc/07/51/70/860075170.db2.gz OSBKXBNLIXBTQQ-GOSISDBHSA-N 2 2 378.605 3.593 20 0 GHADLP C[C@H]1CC([NH2+]Cc2ccnc(OC3CCC3)n2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168036169 860231522 /nfs/dbraw/zinc/23/15/22/860231522.db2.gz UGHHIRJQOCWKLP-ROUUACIJSA-N 2 2 380.536 3.939 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000533848392 860241549 /nfs/dbraw/zinc/24/15/49/860241549.db2.gz SOYZFUFBZOGUPN-AOMKIAJQSA-N 2 2 389.503 3.728 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000533848392 860241557 /nfs/dbraw/zinc/24/15/57/860241557.db2.gz SOYZFUFBZOGUPN-AOMKIAJQSA-N 2 2 389.503 3.728 20 0 GHADLP COC(=O)c1ccc([C@H](CO)[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168036864 860332013 /nfs/dbraw/zinc/33/20/13/860332013.db2.gz XLNGNBYUYVZJSW-BSRJHKFKSA-N 2 2 396.531 3.538 20 0 GHADLP [NH3+]C[C@H](NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CCCCC1 ZINC000557014094 881534278 /nfs/dbraw/zinc/53/42/78/881534278.db2.gz UGDSECQDCRJFFS-FQEVSTJZSA-N 2 2 381.524 3.916 20 0 GHADLP [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000904449128 860452833 /nfs/dbraw/zinc/45/28/33/860452833.db2.gz FFSICADDJZNGGP-HTAPYJJXSA-N 2 2 379.508 3.622 20 0 GHADLP c1sc(-c2ccccn2)nc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904471394 860464856 /nfs/dbraw/zinc/46/48/56/860464856.db2.gz ANUSAXFIYTYCDS-GHTZIAJQSA-N 2 2 378.501 3.551 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCCN(c4ccccc4)C3=O)CC2)cc1 ZINC000766002071 860675555 /nfs/dbraw/zinc/67/55/55/860675555.db2.gz NXJCVRWRSWHECA-HSZRJFAPSA-N 2 2 392.547 3.507 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)CCCC1)c1ccccc1 ZINC000603611240 860904097 /nfs/dbraw/zinc/90/40/97/860904097.db2.gz ZBMPSEUGCHWSKA-LJQANCHMSA-N 2 2 395.551 3.893 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000625143411 861016117 /nfs/dbraw/zinc/01/61/17/861016117.db2.gz QOIGESCRCKDAOX-HDICACEKSA-N 2 2 399.535 3.983 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000625143411 861016127 /nfs/dbraw/zinc/01/61/27/861016127.db2.gz QOIGESCRCKDAOX-HDICACEKSA-N 2 2 399.535 3.983 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000599323346 861062475 /nfs/dbraw/zinc/06/24/75/861062475.db2.gz IHIDUOBBVDESCC-OAQYLSRUSA-N 2 2 399.966 3.896 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000599323346 861062491 /nfs/dbraw/zinc/06/24/91/861062491.db2.gz IHIDUOBBVDESCC-OAQYLSRUSA-N 2 2 399.966 3.896 20 0 GHADLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1OC1CC1 ZINC000623469549 861099196 /nfs/dbraw/zinc/09/91/96/861099196.db2.gz FPPHWFLJCPXCDZ-KRWDZBQOSA-N 2 2 381.520 3.947 20 0 GHADLP Cc1cccc([C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(C)(C)C)c1 ZINC000674158088 863077750 /nfs/dbraw/zinc/07/77/50/863077750.db2.gz JTUZPCONYLAIEN-FPOVZHCZSA-N 2 2 386.584 3.550 20 0 GHADLP Cc1cccc([C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(C)(C)C)c1 ZINC000674158088 863077766 /nfs/dbraw/zinc/07/77/66/863077766.db2.gz JTUZPCONYLAIEN-FPOVZHCZSA-N 2 2 386.584 3.550 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1nccn1C ZINC000182398347 863213497 /nfs/dbraw/zinc/21/34/97/863213497.db2.gz IDIYVUVPSNZYEZ-FQEVSTJZSA-N 2 2 389.547 3.593 20 0 GHADLP Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(-c2cnn(C)c2)c1 ZINC000282662743 863274784 /nfs/dbraw/zinc/27/47/84/863274784.db2.gz MWWVBKMLHXLYQF-UHFFFAOYSA-N 2 2 390.531 3.518 20 0 GHADLP Cc1ccc([C@@H](Cc2ccccc2)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1C ZINC000482632372 863405790 /nfs/dbraw/zinc/40/57/90/863405790.db2.gz FVQOAEYHCFPLAX-DHIUTWEWSA-N 2 2 379.548 3.517 20 0 GHADLP Cc1ccc([C@@H](Cc2ccccc2)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1C ZINC000482632372 863405799 /nfs/dbraw/zinc/40/57/99/863405799.db2.gz FVQOAEYHCFPLAX-DHIUTWEWSA-N 2 2 379.548 3.517 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc4c3OC(C)(C)C4)cc2)CC1 ZINC000606469312 863648373 /nfs/dbraw/zinc/64/83/73/863648373.db2.gz MOCQZFQYMUXEKK-UHFFFAOYSA-N 2 2 393.575 3.827 20 0 GHADLP CCc1cnc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000120742011 881700383 /nfs/dbraw/zinc/70/03/83/881700383.db2.gz SEAUNRJLRLOQDP-ROUUACIJSA-N 2 2 393.601 3.506 20 0 GHADLP CCc1cnc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000120742011 881700393 /nfs/dbraw/zinc/70/03/93/881700393.db2.gz SEAUNRJLRLOQDP-ROUUACIJSA-N 2 2 393.601 3.506 20 0 GHADLP CCCCC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000734273884 864111048 /nfs/dbraw/zinc/11/10/48/864111048.db2.gz DAVPUNHWZXEXJC-IFMALSPDSA-N 2 2 386.584 3.776 20 0 GHADLP CCCCC[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000734273884 864111057 /nfs/dbraw/zinc/11/10/57/864111057.db2.gz DAVPUNHWZXEXJC-IFMALSPDSA-N 2 2 386.584 3.776 20 0 GHADLP CCc1cc(N2CCC[C@H]([N@H+](C)Cc3noc(C)n3)CC2)c2ccccc2[nH+]1 ZINC000480241019 864329578 /nfs/dbraw/zinc/32/95/78/864329578.db2.gz MURRYEKPABWPNA-SFHVURJKSA-N 2 2 379.508 3.980 20 0 GHADLP CCc1cc(N2CCC[C@H]([N@@H+](C)Cc3noc(C)n3)CC2)c2ccccc2[nH+]1 ZINC000480241019 864329597 /nfs/dbraw/zinc/32/95/97/864329597.db2.gz MURRYEKPABWPNA-SFHVURJKSA-N 2 2 379.508 3.980 20 0 GHADLP O[C@]1(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000607366801 864351442 /nfs/dbraw/zinc/35/14/42/864351442.db2.gz VQJPVTPKGAVUDF-FQEVSTJZSA-N 2 2 396.865 3.668 20 0 GHADLP O[C@]1(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366801 864351450 /nfs/dbraw/zinc/35/14/50/864351450.db2.gz VQJPVTPKGAVUDF-FQEVSTJZSA-N 2 2 396.865 3.668 20 0 GHADLP O[C@]1(C[NH2+]Cc2cnc(-c3ccccc3)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366843 864351719 /nfs/dbraw/zinc/35/17/19/864351719.db2.gz XCYWOVOCFBDAKO-QFIPXVFZSA-N 2 2 379.529 3.537 20 0 GHADLP O[C@]1(C[NH2+]Cc2cnc(-c3ccccc3)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366843 864351735 /nfs/dbraw/zinc/35/17/35/864351735.db2.gz XCYWOVOCFBDAKO-QFIPXVFZSA-N 2 2 379.529 3.537 20 0 GHADLP C[C@@H]1CC(N2CCC(C)([NH+]3CCOCC3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059397 864544225 /nfs/dbraw/zinc/54/42/25/864544225.db2.gz FFQXVWQZVPUDLQ-NHCUHLMSSA-N 2 2 385.596 3.615 20 0 GHADLP COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3[nH+]cc4n3CCCC4)C1)O[C@@H](C)C2 ZINC000554558743 864548854 /nfs/dbraw/zinc/54/88/54/864548854.db2.gz SYQSKRHKJPLOSQ-DLBZAZTESA-N 2 2 381.520 3.931 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)[C@H](C)C1 ZINC000164967780 864644787 /nfs/dbraw/zinc/64/47/87/864644787.db2.gz GLVWEFSYGKFXHH-AQCRLBJHSA-N 3 2 393.641 3.858 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)[C@H](C)C1 ZINC000164967780 864644789 /nfs/dbraw/zinc/64/47/89/864644789.db2.gz GLVWEFSYGKFXHH-AQCRLBJHSA-N 3 2 393.641 3.858 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@H](C)C1 ZINC000164967780 864644791 /nfs/dbraw/zinc/64/47/91/864644791.db2.gz GLVWEFSYGKFXHH-AQCRLBJHSA-N 3 2 393.641 3.858 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@H](C)C1 ZINC000164967780 864644794 /nfs/dbraw/zinc/64/47/94/864644794.db2.gz GLVWEFSYGKFXHH-AQCRLBJHSA-N 3 2 393.641 3.858 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000165541897 864681875 /nfs/dbraw/zinc/68/18/75/864681875.db2.gz FVPBIOCZFRZWMF-QZTJIDSGSA-N 2 2 378.586 3.857 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000165541897 864681882 /nfs/dbraw/zinc/68/18/82/864681882.db2.gz FVPBIOCZFRZWMF-QZTJIDSGSA-N 2 2 378.586 3.857 20 0 GHADLP C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182569546 864696732 /nfs/dbraw/zinc/69/67/32/864696732.db2.gz SHWTWJMGOGCMJY-LATSOQNDSA-N 2 2 392.385 3.753 20 0 GHADLP C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182569546 864696737 /nfs/dbraw/zinc/69/67/37/864696737.db2.gz SHWTWJMGOGCMJY-LATSOQNDSA-N 2 2 392.385 3.753 20 0 GHADLP CC(C)C[C@@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)[NH2+][C@H](C)c1ccccc1 ZINC000475291693 864723986 /nfs/dbraw/zinc/72/39/86/864723986.db2.gz PMFPFLPCZXUBMY-NQIIRXRSSA-N 2 2 393.535 3.899 20 0 GHADLP Fc1ccc(Cn2cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cn2)cc1 ZINC000475334456 864822583 /nfs/dbraw/zinc/82/25/83/864822583.db2.gz PSPYPTCCPRFEGJ-ZRZAMGCNSA-N 2 2 390.506 3.634 20 0 GHADLP Fc1ccc(Cn2cc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cn2)cc1 ZINC000475334456 864822606 /nfs/dbraw/zinc/82/26/06/864822606.db2.gz PSPYPTCCPRFEGJ-ZRZAMGCNSA-N 2 2 390.506 3.634 20 0 GHADLP Fc1ccc(Cn2cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cn2)cc1 ZINC000475334456 864822627 /nfs/dbraw/zinc/82/26/27/864822627.db2.gz PSPYPTCCPRFEGJ-ZRZAMGCNSA-N 2 2 390.506 3.634 20 0 GHADLP Fc1ccc(Cn2cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cn2)cc1 ZINC000475334456 864822648 /nfs/dbraw/zinc/82/26/48/864822648.db2.gz PSPYPTCCPRFEGJ-ZRZAMGCNSA-N 2 2 390.506 3.634 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000667707320 864946434 /nfs/dbraw/zinc/94/64/34/864946434.db2.gz WNFICHTWBAQDHZ-NRSPTQNISA-N 2 2 385.483 3.697 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000667707320 864946445 /nfs/dbraw/zinc/94/64/45/864946445.db2.gz WNFICHTWBAQDHZ-NRSPTQNISA-N 2 2 385.483 3.697 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608069295 864961222 /nfs/dbraw/zinc/96/12/22/864961222.db2.gz AVXXZPFXIBMLTC-SFHVURJKSA-N 2 2 381.476 3.520 20 0 GHADLP CC(C)C[C@@H](C)Oc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccn1 ZINC000655712870 865018484 /nfs/dbraw/zinc/01/84/84/865018484.db2.gz XNQFYBUAYRCCFN-NQIIRXRSSA-N 2 2 375.557 3.628 20 0 GHADLP Cc1ccnc(N2CC[NH+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC001168065446 865081107 /nfs/dbraw/zinc/08/11/07/865081107.db2.gz WFRFJVPGNLZKBK-SFTDATJTSA-N 2 2 378.564 3.954 20 0 GHADLP CC1CC[NH+](CCCCNC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000608408217 865288671 /nfs/dbraw/zinc/28/86/71/865288671.db2.gz FMBOTESMNQOVNI-OAQYLSRUSA-N 2 2 397.567 3.515 20 0 GHADLP CC[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CCCCC1 ZINC000608663566 865568785 /nfs/dbraw/zinc/56/87/85/865568785.db2.gz RDYCCWQGVQVGMO-HXUWFJFHSA-N 2 2 378.605 3.595 20 0 GHADLP Cc1cccc([C@H]2CCCCN2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000608686795 865592380 /nfs/dbraw/zinc/59/23/80/865592380.db2.gz XJRAVJMAFMEHOW-NFBKMPQASA-N 2 2 398.595 3.709 20 0 GHADLP Cc1cccc([C@H]2CCCCN2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000608686795 865592392 /nfs/dbraw/zinc/59/23/92/865592392.db2.gz XJRAVJMAFMEHOW-NFBKMPQASA-N 2 2 398.595 3.709 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCc1ccc(Cl)cc1 ZINC000481169862 865914473 /nfs/dbraw/zinc/91/44/73/865914473.db2.gz JEXUEPNIHHAUIE-FGSXEWAUSA-N 2 2 399.966 3.845 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCc1ccc(Cl)cc1 ZINC000481169862 865914477 /nfs/dbraw/zinc/91/44/77/865914477.db2.gz JEXUEPNIHHAUIE-FGSXEWAUSA-N 2 2 399.966 3.845 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000481177882 865932223 /nfs/dbraw/zinc/93/22/23/865932223.db2.gz RGYVPFRITFIOJT-SJLPKXTDSA-N 2 2 394.544 3.735 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000481177882 865932239 /nfs/dbraw/zinc/93/22/39/865932239.db2.gz RGYVPFRITFIOJT-SJLPKXTDSA-N 2 2 394.544 3.735 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000153364493 866393805 /nfs/dbraw/zinc/39/38/05/866393805.db2.gz LWFUMHLGMHNBLO-GCJKJVERSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000153364493 866393812 /nfs/dbraw/zinc/39/38/12/866393812.db2.gz LWFUMHLGMHNBLO-GCJKJVERSA-N 2 2 380.536 3.798 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[N@H+](Cc3ccccc3)C[C@@H](C)C1)C2 ZINC000456351387 866472710 /nfs/dbraw/zinc/47/27/10/866472710.db2.gz WUUZXIHNDWYFIK-QUCCMNQESA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[N@@H+](Cc3ccccc3)C[C@@H](C)C1)C2 ZINC000456351387 866472713 /nfs/dbraw/zinc/47/27/13/866472713.db2.gz WUUZXIHNDWYFIK-QUCCMNQESA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[N@H+](Cc3ccccc3)C[C@@H](C)C1)CC2 ZINC000456351387 866472720 /nfs/dbraw/zinc/47/27/20/866472720.db2.gz WUUZXIHNDWYFIK-QUCCMNQESA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[N@@H+](Cc3ccccc3)C[C@@H](C)C1)CC2 ZINC000456351387 866472729 /nfs/dbraw/zinc/47/27/29/866472729.db2.gz WUUZXIHNDWYFIK-QUCCMNQESA-N 2 2 394.563 3.619 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CC34CCC4)ccn12 ZINC000620196042 866538356 /nfs/dbraw/zinc/53/83/56/866538356.db2.gz LDVAAGBZFAUXFA-OAQYLSRUSA-N 2 2 388.515 3.675 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)ccn12 ZINC000620196042 866538362 /nfs/dbraw/zinc/53/83/62/866538362.db2.gz LDVAAGBZFAUXFA-OAQYLSRUSA-N 2 2 388.515 3.675 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C(C)C ZINC000153606356 866980409 /nfs/dbraw/zinc/98/04/09/866980409.db2.gz BTQDQTHMIAOXMQ-YADHBBJMSA-N 2 2 397.567 3.920 20 0 GHADLP Brc1ccc(Cn2cc[nH+]c2NCc2cccc3[nH+]ccn32)cc1 ZINC000508503882 867017775 /nfs/dbraw/zinc/01/77/75/867017775.db2.gz PNXNCTZYHCYOGV-UHFFFAOYSA-N 2 2 382.265 3.954 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153766947 867068015 /nfs/dbraw/zinc/06/80/15/867068015.db2.gz VIERSAWIKPINAB-GOEBONIOSA-N 2 2 379.932 3.672 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153766947 867068033 /nfs/dbraw/zinc/06/80/33/867068033.db2.gz VIERSAWIKPINAB-GOEBONIOSA-N 2 2 379.932 3.672 20 0 GHADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479080534 867145120 /nfs/dbraw/zinc/14/51/20/867145120.db2.gz NVLIFKPSFZDGGW-QFBILLFUSA-N 2 2 399.348 3.722 20 0 GHADLP C[C@@H](CSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000479216781 867370063 /nfs/dbraw/zinc/37/00/63/867370063.db2.gz OONOZKKFXWRTFK-AWEZNQCLSA-N 2 2 379.961 3.559 20 0 GHADLP C[NH+](C)[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccs1 ZINC000155065163 867735191 /nfs/dbraw/zinc/73/51/91/867735191.db2.gz KKVZPCSRYOHWFC-FQEVSTJZSA-N 2 2 375.557 3.787 20 0 GHADLP CN(C)[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccs1 ZINC000155065163 867735204 /nfs/dbraw/zinc/73/52/04/867735204.db2.gz KKVZPCSRYOHWFC-FQEVSTJZSA-N 2 2 375.557 3.787 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)C[C@@H](C)O1 ZINC000194250952 882134172 /nfs/dbraw/zinc/13/41/72/882134172.db2.gz KBIQJUSRJTWVSX-RTBURBONSA-N 2 2 390.531 3.976 20 0 GHADLP FC(F)(F)COc1ccc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cn1 ZINC000479578717 868117705 /nfs/dbraw/zinc/11/77/05/868117705.db2.gz RMRRHUUBOVKONS-UHFFFAOYSA-N 2 2 382.411 3.602 20 0 GHADLP CN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097483 868164699 /nfs/dbraw/zinc/16/46/99/868164699.db2.gz SRKPGMHWYFCWPQ-VXKWHMMOSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097483 868164706 /nfs/dbraw/zinc/16/47/06/868164706.db2.gz SRKPGMHWYFCWPQ-VXKWHMMOSA-N 2 2 382.552 3.577 20 0 GHADLP CC[N@H+](Cc1cnccc1OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000553888974 868394405 /nfs/dbraw/zinc/39/44/05/868394405.db2.gz NZKTVRLADSIYSI-UHFFFAOYSA-N 2 2 383.540 3.803 20 0 GHADLP CC[N@@H+](Cc1cnccc1OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000553888974 868394422 /nfs/dbraw/zinc/39/44/22/868394422.db2.gz NZKTVRLADSIYSI-UHFFFAOYSA-N 2 2 383.540 3.803 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000479829590 868576612 /nfs/dbraw/zinc/57/66/12/868576612.db2.gz IHCLUDDGRHXRAR-WOJBJXKFSA-N 2 2 396.526 3.518 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000479829590 868576618 /nfs/dbraw/zinc/57/66/18/868576618.db2.gz IHCLUDDGRHXRAR-WOJBJXKFSA-N 2 2 396.526 3.518 20 0 GHADLP CCN(C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000157448252 868656831 /nfs/dbraw/zinc/65/68/31/868656831.db2.gz IUEXOTPDRVQQSB-RXVVDRJESA-N 2 2 375.532 3.686 20 0 GHADLP CCN(C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000157448252 868656836 /nfs/dbraw/zinc/65/68/36/868656836.db2.gz IUEXOTPDRVQQSB-RXVVDRJESA-N 2 2 375.532 3.686 20 0 GHADLP O=C1[C@@H]([N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCN1c1ccc(Cl)cc1 ZINC000503409973 868692261 /nfs/dbraw/zinc/69/22/61/868692261.db2.gz YECXODANSPWLOO-JXFKEZNVSA-N 2 2 398.938 3.858 20 0 GHADLP O=C1[C@@H]([N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCN1c1ccc(Cl)cc1 ZINC000503409973 868692265 /nfs/dbraw/zinc/69/22/65/868692265.db2.gz YECXODANSPWLOO-JXFKEZNVSA-N 2 2 398.938 3.858 20 0 GHADLP COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000479906075 868707539 /nfs/dbraw/zinc/70/75/39/868707539.db2.gz YHSZMSAYILFZRV-MRXNPFEDSA-N 2 2 388.483 3.526 20 0 GHADLP Brc1cc(Br)cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000394567173 882255869 /nfs/dbraw/zinc/25/58/69/882255869.db2.gz LTGNSBWDYNFVAX-HUUCEWRRSA-N 2 2 388.147 3.928 20 0 GHADLP Brc1cc(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000394567173 882255879 /nfs/dbraw/zinc/25/58/79/882255879.db2.gz LTGNSBWDYNFVAX-HUUCEWRRSA-N 2 2 388.147 3.928 20 0 GHADLP CN(C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000190803684 882276491 /nfs/dbraw/zinc/27/64/91/882276491.db2.gz FZEGYHULGXMQDX-SFTDATJTSA-N 2 2 390.547 3.651 20 0 GHADLP CN(C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000190803684 882276499 /nfs/dbraw/zinc/27/64/99/882276499.db2.gz FZEGYHULGXMQDX-SFTDATJTSA-N 2 2 390.547 3.651 20 0 GHADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000524713611 869481468 /nfs/dbraw/zinc/48/14/68/869481468.db2.gz BVXIWNKBNXVHCG-GOSISDBHSA-N 2 2 381.520 3.667 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1csc(Cl)c1 ZINC000191229777 882392201 /nfs/dbraw/zinc/39/22/01/882392201.db2.gz QYEPANZXNDLMEQ-OAHLLOKOSA-N 2 2 380.941 3.963 20 0 GHADLP CN(C(=O)C1(Cc2ccccc2)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248383545 870350668 /nfs/dbraw/zinc/35/06/68/870350668.db2.gz ALEXXWGLVSPJES-DHIUTWEWSA-N 2 2 397.607 3.805 20 0 GHADLP CN(C(=O)C1(Cc2ccccc2)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248383545 870350689 /nfs/dbraw/zinc/35/06/89/870350689.db2.gz ALEXXWGLVSPJES-DHIUTWEWSA-N 2 2 397.607 3.805 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[NH+]3CCC([C@@H]4CCOC4)CC3)CC2)cc1 ZINC001192472800 870390887 /nfs/dbraw/zinc/39/08/87/870390887.db2.gz YRMITJCAMQOOBM-HXUWFJFHSA-N 2 2 391.987 3.601 20 0 GHADLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc2c1OCCO2 ZINC000538733074 870470599 /nfs/dbraw/zinc/47/05/99/870470599.db2.gz PFKJYXSAIFHUHG-GHTZIAJQSA-N 2 2 396.531 3.951 20 0 GHADLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc2c1OCCO2 ZINC000538733074 870470607 /nfs/dbraw/zinc/47/06/07/870470607.db2.gz PFKJYXSAIFHUHG-GHTZIAJQSA-N 2 2 396.531 3.951 20 0 GHADLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc2c1OCCO2 ZINC000538733074 870470614 /nfs/dbraw/zinc/47/06/14/870470614.db2.gz PFKJYXSAIFHUHG-GHTZIAJQSA-N 2 2 396.531 3.951 20 0 GHADLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc2c1OCCO2 ZINC000538733074 870470621 /nfs/dbraw/zinc/47/06/21/870470621.db2.gz PFKJYXSAIFHUHG-GHTZIAJQSA-N 2 2 396.531 3.951 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000775546861 870651506 /nfs/dbraw/zinc/65/15/06/870651506.db2.gz GISYUIVPETVIBF-YJBOKZPZSA-N 2 2 382.426 3.729 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000775546861 870651513 /nfs/dbraw/zinc/65/15/13/870651513.db2.gz GISYUIVPETVIBF-YJBOKZPZSA-N 2 2 382.426 3.729 20 0 GHADLP C[C@H]1CC[N@H+](Cc2nc3ccc(Br)cc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000463112973 870912829 /nfs/dbraw/zinc/91/28/29/870912829.db2.gz ATYANPSNWHDOHZ-WFASDCNBSA-N 2 2 375.270 3.870 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000463112973 870912840 /nfs/dbraw/zinc/91/28/40/870912840.db2.gz ATYANPSNWHDOHZ-WFASDCNBSA-N 2 2 375.270 3.870 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCCN3Cc3ccccc3)CC2)cc1 ZINC000463134006 870979712 /nfs/dbraw/zinc/97/97/12/870979712.db2.gz GSPLXUOEUHWERP-VWLOTQADSA-N 2 2 377.576 3.948 20 0 GHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191487709 882486318 /nfs/dbraw/zinc/48/63/18/882486318.db2.gz AFQBRUJPOMYCNB-RTBURBONSA-N 2 2 381.358 3.991 20 0 GHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191487709 882486331 /nfs/dbraw/zinc/48/63/31/882486331.db2.gz AFQBRUJPOMYCNB-RTBURBONSA-N 2 2 381.358 3.991 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC1)C2 ZINC001169131818 871223113 /nfs/dbraw/zinc/22/31/13/871223113.db2.gz ZYYRWDCOORNHAL-BWTSREIZSA-N 2 2 377.573 3.725 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC1)C2 ZINC001169131818 871223128 /nfs/dbraw/zinc/22/31/28/871223128.db2.gz ZYYRWDCOORNHAL-BWTSREIZSA-N 2 2 377.573 3.725 20 0 GHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCOc2ccc(C(F)(F)F)cn2)CC1 ZINC000463243263 871249373 /nfs/dbraw/zinc/24/93/73/871249373.db2.gz BTMCDAWTVOGJIS-UHFFFAOYSA-N 2 2 399.379 3.876 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)N1Cc2ccccc2C1 ZINC000463242745 871251397 /nfs/dbraw/zinc/25/13/97/871251397.db2.gz NYPWYDYBLYOYAQ-YDHSSHFGSA-N 2 2 377.532 3.560 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)N1Cc2ccccc2C1 ZINC000463242745 871251415 /nfs/dbraw/zinc/25/14/15/871251415.db2.gz NYPWYDYBLYOYAQ-YDHSSHFGSA-N 2 2 377.532 3.560 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc2cc(Cl)ccc2o1 ZINC000540594497 871651988 /nfs/dbraw/zinc/65/19/88/871651988.db2.gz WJHUEINYNGFVSH-YOEHRIQHSA-N 2 2 377.916 3.680 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc2cc(Cl)ccc2o1 ZINC000540594497 871651994 /nfs/dbraw/zinc/65/19/94/871651994.db2.gz WJHUEINYNGFVSH-YOEHRIQHSA-N 2 2 377.916 3.680 20 0 GHADLP CCc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000133884735 882543788 /nfs/dbraw/zinc/54/37/88/882543788.db2.gz RHTMJXNZIIYKHS-IEXUWNMDSA-N 2 2 380.580 3.747 20 0 GHADLP CCc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000133884735 882543797 /nfs/dbraw/zinc/54/37/97/882543797.db2.gz RHTMJXNZIIYKHS-IEXUWNMDSA-N 2 2 380.580 3.747 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463444486 871758186 /nfs/dbraw/zinc/75/81/86/871758186.db2.gz RZLVCEVBQHLLBQ-DEOSSOPVSA-N 2 2 375.516 3.998 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463444486 871758189 /nfs/dbraw/zinc/75/81/89/871758189.db2.gz RZLVCEVBQHLLBQ-DEOSSOPVSA-N 2 2 375.516 3.998 20 0 GHADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000447537096 871804048 /nfs/dbraw/zinc/80/40/48/871804048.db2.gz SNAAYHHQWGGWFV-BBWFWOEESA-N 2 2 386.492 3.526 20 0 GHADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000447537096 871804074 /nfs/dbraw/zinc/80/40/74/871804074.db2.gz SNAAYHHQWGGWFV-BBWFWOEESA-N 2 2 386.492 3.526 20 0 GHADLP CC(C)[C@H]1C[N@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CCCO1 ZINC001194624981 871835606 /nfs/dbraw/zinc/83/56/06/871835606.db2.gz IZMYQSHLWIXFEM-OAQYLSRUSA-N 2 2 379.976 3.599 20 0 GHADLP CC(C)[C@H]1C[N@@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CCCO1 ZINC001194624981 871835624 /nfs/dbraw/zinc/83/56/24/871835624.db2.gz IZMYQSHLWIXFEM-OAQYLSRUSA-N 2 2 379.976 3.599 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-n2ccnc2)cc1 ZINC000540757098 872071831 /nfs/dbraw/zinc/07/18/31/872071831.db2.gz XVHYPXIFMUIEEK-DYESRHJHSA-N 2 2 376.508 3.581 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-n2ccnc2)cc1 ZINC000540757101 872071949 /nfs/dbraw/zinc/07/19/49/872071949.db2.gz XVHYPXIFMUIEEK-UWJYYQICSA-N 2 2 376.508 3.581 20 0 GHADLP C[NH+](C)[C@H](C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)c1cccc(Cl)c1 ZINC000447728062 872168739 /nfs/dbraw/zinc/16/87/39/872168739.db2.gz KXUZYSRPCCGTFJ-MOPGFXCFSA-N 2 2 387.911 3.967 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(OCc2cccnc2)c1 ZINC000447732487 872218301 /nfs/dbraw/zinc/21/83/01/872218301.db2.gz PMPJBMBJNSIBJD-KNQAVFIVSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(OCc2cccnc2)c1 ZINC000447732487 872218315 /nfs/dbraw/zinc/21/83/15/872218315.db2.gz PMPJBMBJNSIBJD-KNQAVFIVSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(OCc2cccnc2)c1 ZINC000447732487 872218330 /nfs/dbraw/zinc/21/83/30/872218330.db2.gz PMPJBMBJNSIBJD-KNQAVFIVSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(OCc2cccnc2)c1 ZINC000447732487 872218347 /nfs/dbraw/zinc/21/83/47/872218347.db2.gz PMPJBMBJNSIBJD-KNQAVFIVSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(OCc2cccnc2)c1 ZINC000447734225 872220548 /nfs/dbraw/zinc/22/05/48/872220548.db2.gz UQIFMDASFIDUKG-UHFFFAOYSA-N 2 2 378.476 3.772 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1OCC(F)(F)F ZINC000093683598 872340399 /nfs/dbraw/zinc/34/03/99/872340399.db2.gz JBZSIXCUXOPEGG-KRWDZBQOSA-N 2 2 386.458 3.944 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1OCC(F)(F)F ZINC000093683598 872340416 /nfs/dbraw/zinc/34/04/16/872340416.db2.gz JBZSIXCUXOPEGG-KRWDZBQOSA-N 2 2 386.458 3.944 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)CCc2c[nH+]cn2C)cc1)C[C@H]1CCCCO1 ZINC000527003341 872410338 /nfs/dbraw/zinc/41/03/38/872410338.db2.gz UHIYYSMVPLXUBJ-JOCHJYFZSA-N 2 2 398.551 3.771 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)CCc2c[nH+]cn2C)cc1)C[C@H]1CCCCO1 ZINC000527003341 872410347 /nfs/dbraw/zinc/41/03/47/872410347.db2.gz UHIYYSMVPLXUBJ-JOCHJYFZSA-N 2 2 398.551 3.771 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@@H]3CCCn4cc(C)[nH+]c43)c2C)cc1 ZINC000463735603 872444838 /nfs/dbraw/zinc/44/48/38/872444838.db2.gz TWJANLWVNMIVGF-FQEVSTJZSA-N 2 2 393.535 3.729 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000767451065 872540999 /nfs/dbraw/zinc/54/09/99/872540999.db2.gz VGPDLGDODDXWHU-UHFFFAOYSA-N 2 2 396.314 3.588 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000767451065 872541004 /nfs/dbraw/zinc/54/10/04/872541004.db2.gz VGPDLGDODDXWHU-UHFFFAOYSA-N 2 2 396.314 3.588 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@@H](CSC)c2ccc(C(F)(F)F)cc2)CC1 ZINC000540990243 872685752 /nfs/dbraw/zinc/68/57/52/872685752.db2.gz JPSTUQGVCXESRU-KRWDZBQOSA-N 2 2 376.488 3.810 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@H](CSC)c2ccc(C(F)(F)F)cc2)CC1 ZINC000540990244 872686012 /nfs/dbraw/zinc/68/60/12/872686012.db2.gz JPSTUQGVCXESRU-QGZVFWFLSA-N 2 2 376.488 3.810 20 0 GHADLP FC(F)c1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000527520637 873243170 /nfs/dbraw/zinc/24/31/70/873243170.db2.gz ZOPCEKNOODZLHJ-UHFFFAOYSA-N 2 2 376.447 3.625 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000541253076 873245127 /nfs/dbraw/zinc/24/51/27/873245127.db2.gz SGDPETNYHVAZIX-DBVUQKKJSA-N 2 2 377.598 3.647 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000541253076 873245142 /nfs/dbraw/zinc/24/51/42/873245142.db2.gz SGDPETNYHVAZIX-DBVUQKKJSA-N 2 2 377.598 3.647 20 0 GHADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2ncc3ccc(OCc4ccccc4)cc32)C1 ZINC000768499982 873340499 /nfs/dbraw/zinc/34/04/99/873340499.db2.gz ODTQMKASWHWQFE-FYYLOGMGSA-N 2 2 390.531 3.989 20 0 GHADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2ncc3ccc(OCc4ccccc4)cc32)C1 ZINC000768499982 873340511 /nfs/dbraw/zinc/34/05/11/873340511.db2.gz ODTQMKASWHWQFE-FYYLOGMGSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cn2ncc3ccc(OCc4ccccc4)cc32)C1 ZINC000768499982 873340520 /nfs/dbraw/zinc/34/05/20/873340520.db2.gz ODTQMKASWHWQFE-FYYLOGMGSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cn2ncc3ccc(OCc4ccccc4)cc32)C1 ZINC000768499982 873340531 /nfs/dbraw/zinc/34/05/31/873340531.db2.gz ODTQMKASWHWQFE-FYYLOGMGSA-N 2 2 390.531 3.989 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1C ZINC000508875240 873815061 /nfs/dbraw/zinc/81/50/61/873815061.db2.gz BRVQHVKLBZCSMB-GHTZIAJQSA-N 2 2 398.551 3.848 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H](c3ccccc3)c3ccc(F)cn3)[nH+]c2)C1 ZINC000541568439 873875908 /nfs/dbraw/zinc/87/59/08/873875908.db2.gz RMQMWYQWUJIFDI-REWPJTCUSA-N 2 2 391.494 3.958 20 0 GHADLP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528012185 873884557 /nfs/dbraw/zinc/88/45/57/873884557.db2.gz OMMFKKLEQJUVMP-RLLQIKCJSA-N 2 2 395.547 3.590 20 0 GHADLP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528012185 873884575 /nfs/dbraw/zinc/88/45/75/873884575.db2.gz OMMFKKLEQJUVMP-RLLQIKCJSA-N 2 2 395.547 3.590 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccc(C(F)F)nc2)cc1 ZINC001198017199 874165846 /nfs/dbraw/zinc/16/58/46/874165846.db2.gz HTSDWSNCPJULSB-UHFFFAOYSA-N 2 2 376.451 3.655 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccc(C(F)F)nc2)cc1 ZINC001198017199 874165853 /nfs/dbraw/zinc/16/58/53/874165853.db2.gz HTSDWSNCPJULSB-UHFFFAOYSA-N 2 2 376.451 3.655 20 0 GHADLP Fc1c(Br)cccc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000449059609 874397547 /nfs/dbraw/zinc/39/75/47/874397547.db2.gz BZFULYMATOEQMA-UHFFFAOYSA-N 2 2 393.300 3.710 20 0 GHADLP CC[N@@H+](CC(=O)N1c2ccccc2C[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804184 874513626 /nfs/dbraw/zinc/51/36/26/874513626.db2.gz DABKQIHPMYCSMF-IBGZPJMESA-N 2 2 392.547 3.598 20 0 GHADLP CC[N@H+](CC(=O)N1c2ccccc2C[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804184 874513648 /nfs/dbraw/zinc/51/36/48/874513648.db2.gz DABKQIHPMYCSMF-IBGZPJMESA-N 2 2 392.547 3.598 20 0 GHADLP CSC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000541913269 874514271 /nfs/dbraw/zinc/51/42/71/874514271.db2.gz DNSCQSIQVXYFTE-ZWKOTPCHSA-N 2 2 390.515 3.792 20 0 GHADLP CC[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808661 874530487 /nfs/dbraw/zinc/53/04/87/874530487.db2.gz LWTQWYIAGBEFKU-FPOVZHCZSA-N 2 2 386.584 3.657 20 0 GHADLP CC[N@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808661 874530495 /nfs/dbraw/zinc/53/04/95/874530495.db2.gz LWTQWYIAGBEFKU-FPOVZHCZSA-N 2 2 386.584 3.657 20 0 GHADLP CC[N@H+](C[C@H](O)COc1ccc(C)cc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810038 874532302 /nfs/dbraw/zinc/53/23/02/874532302.db2.gz NVOQRHBWTXLUMX-QFIPXVFZSA-N 2 2 397.563 3.677 20 0 GHADLP CC[N@@H+](C[C@H](O)COc1ccc(C)cc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810038 874532308 /nfs/dbraw/zinc/53/23/08/874532308.db2.gz NVOQRHBWTXLUMX-QFIPXVFZSA-N 2 2 397.563 3.677 20 0 GHADLP CC[N@@H+](CC(=O)N[C@@H](C)c1cccs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810971 874534079 /nfs/dbraw/zinc/53/40/79/874534079.db2.gz QEWPNSORDKQTNS-KRWDZBQOSA-N 2 2 386.565 3.559 20 0 GHADLP CC[N@H+](CC(=O)N[C@@H](C)c1cccs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810971 874534088 /nfs/dbraw/zinc/53/40/88/874534088.db2.gz QEWPNSORDKQTNS-KRWDZBQOSA-N 2 2 386.565 3.559 20 0 GHADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449184568 874576761 /nfs/dbraw/zinc/57/67/61/874576761.db2.gz FCVHYNXEHYCZLF-ZWKOTPCHSA-N 2 2 393.503 3.556 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000770349111 874634933 /nfs/dbraw/zinc/63/49/33/874634933.db2.gz BPVPLGGUDLFGPL-XLIONFOSSA-N 2 2 390.934 3.948 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000770349111 874634935 /nfs/dbraw/zinc/63/49/35/874634935.db2.gz BPVPLGGUDLFGPL-XLIONFOSSA-N 2 2 390.934 3.948 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000770349111 874634938 /nfs/dbraw/zinc/63/49/38/874634938.db2.gz BPVPLGGUDLFGPL-XLIONFOSSA-N 2 2 390.934 3.948 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000770349111 874634941 /nfs/dbraw/zinc/63/49/41/874634941.db2.gz BPVPLGGUDLFGPL-XLIONFOSSA-N 2 2 390.934 3.948 20 0 GHADLP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000528487509 874647373 /nfs/dbraw/zinc/64/73/73/874647373.db2.gz RHVGUBIBSFSSAX-ICSRJNTNSA-N 2 2 391.556 3.602 20 0 GHADLP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000528487509 874647380 /nfs/dbraw/zinc/64/73/80/874647380.db2.gz RHVGUBIBSFSSAX-ICSRJNTNSA-N 2 2 391.556 3.602 20 0 GHADLP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000528487509 874647388 /nfs/dbraw/zinc/64/73/88/874647388.db2.gz RHVGUBIBSFSSAX-ICSRJNTNSA-N 2 2 391.556 3.602 20 0 GHADLP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000528487509 874647399 /nfs/dbraw/zinc/64/73/99/874647399.db2.gz RHVGUBIBSFSSAX-ICSRJNTNSA-N 2 2 391.556 3.602 20 0 GHADLP C[C@H]1C[N@H+](Cc2cnc(CCc3ccccc3)s2)CCN1C1CC[NH+](C)CC1 ZINC000449325684 874707362 /nfs/dbraw/zinc/70/73/62/874707362.db2.gz OSVUSNXRZIWRRN-IBGZPJMESA-N 2 2 398.620 3.529 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cnc(CCc3ccccc3)s2)CCN1C1CC[NH+](C)CC1 ZINC000449325684 874707369 /nfs/dbraw/zinc/70/73/69/874707369.db2.gz OSVUSNXRZIWRRN-IBGZPJMESA-N 2 2 398.620 3.529 20 0 GHADLP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cn1sc2ccccc2c1=O ZINC000770651458 874824380 /nfs/dbraw/zinc/82/43/80/874824380.db2.gz MSVSPSGOYBGDPI-UHFFFAOYSA-N 2 2 382.533 3.654 20 0 GHADLP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cn1sc2ccccc2c1=O ZINC000770651458 874824389 /nfs/dbraw/zinc/82/43/89/874824389.db2.gz MSVSPSGOYBGDPI-UHFFFAOYSA-N 2 2 382.533 3.654 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C/C=C/c3ccc(Cl)cc3)C2)CC1 ZINC000449493652 874926277 /nfs/dbraw/zinc/92/62/77/874926277.db2.gz FHDDBKBKOPKFPU-RHRNASEZSA-N 2 2 389.971 3.619 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C/C=C/c3ccc(Cl)cc3)C2)CC1 ZINC000449493652 874926295 /nfs/dbraw/zinc/92/62/95/874926295.db2.gz FHDDBKBKOPKFPU-RHRNASEZSA-N 2 2 389.971 3.619 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C/C=C/c3ccc(Cl)cc3)C2)CC1 ZINC000449493652 874926306 /nfs/dbraw/zinc/92/63/06/874926306.db2.gz FHDDBKBKOPKFPU-RHRNASEZSA-N 2 2 389.971 3.619 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C/C=C/c3ccc(Cl)cc3)C2)CC1 ZINC000449493652 874926321 /nfs/dbraw/zinc/92/63/21/874926321.db2.gz FHDDBKBKOPKFPU-RHRNASEZSA-N 2 2 389.971 3.619 20 0 GHADLP C[C@@H]1CCC[C@@](CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)([NH+](C)C)C1 ZINC000542115268 874956254 /nfs/dbraw/zinc/95/62/54/874956254.db2.gz CJKGVTQAMYOERT-DENIHFKCSA-N 2 2 389.588 3.595 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CS[C@@H](C(C)C)C3)CC2)cc1 ZINC000449522328 874996839 /nfs/dbraw/zinc/99/68/39/874996839.db2.gz JDFHXSXKJUPXGV-LEWJYISDSA-N 2 2 375.582 3.729 20 0 GHADLP CCN(C(=O)Nc1ccc(C)[nH+]c1N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000771757612 875442456 /nfs/dbraw/zinc/44/24/56/875442456.db2.gz VIESPXJCXCMJJC-IBGZPJMESA-N 2 2 381.524 3.584 20 0 GHADLP CCN(C(=O)Nc1ccc(C)[nH+]c1N(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000771757612 875442464 /nfs/dbraw/zinc/44/24/64/875442464.db2.gz VIESPXJCXCMJJC-IBGZPJMESA-N 2 2 381.524 3.584 20 0 GHADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC001201415979 875679374 /nfs/dbraw/zinc/67/93/74/875679374.db2.gz ITFCCPKVLYDAPN-DLBZAZTESA-N 2 2 387.749 3.570 20 0 GHADLP CC(C)=CCC[C@H](C)C[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001201495697 875719885 /nfs/dbraw/zinc/71/98/85/875719885.db2.gz FFFLVQQFBYHZRK-QFIPXVFZSA-N 3 2 390.660 3.545 20 0 GHADLP C[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[NH+]1CCCCCC1 ZINC000303594597 875857977 /nfs/dbraw/zinc/85/79/77/875857977.db2.gz WDSTXMRHICSVRQ-KRWDZBQOSA-N 2 2 398.576 3.904 20 0 GHADLP C[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[NH+]1CCCCCC1 ZINC000303594597 875857984 /nfs/dbraw/zinc/85/79/84/875857984.db2.gz WDSTXMRHICSVRQ-KRWDZBQOSA-N 2 2 398.576 3.904 20 0 GHADLP CC1(C)C[C@H]([NH2+]CCCNC(=O)/C=C\c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001202118794 876007769 /nfs/dbraw/zinc/00/77/69/876007769.db2.gz JBZVNYUVIMUNEQ-SYKNXGGPSA-N 2 2 391.559 3.849 20 0 GHADLP CC1(C)C[C@H]([NH2+]CCCNC(=O)/C=C\c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001202118794 876007777 /nfs/dbraw/zinc/00/77/77/876007777.db2.gz JBZVNYUVIMUNEQ-SYKNXGGPSA-N 2 2 391.559 3.849 20 0 GHADLP Cc1cc(NC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c[nH+]1 ZINC001202246173 876088648 /nfs/dbraw/zinc/08/86/48/876088648.db2.gz UASZZTNCAPQNFU-IRXDYDNUSA-N 2 2 380.536 3.920 20 0 GHADLP CN(C(=O)c1ccc2cnccc2c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450228467 876092066 /nfs/dbraw/zinc/09/20/66/876092066.db2.gz UNLUPBWRZSHRAC-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccc2cnccc2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450228467 876092074 /nfs/dbraw/zinc/09/20/74/876092074.db2.gz UNLUPBWRZSHRAC-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP CC[N@@H+](Cc1cnn(CC(F)(F)F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537660281 883055457 /nfs/dbraw/zinc/05/54/57/883055457.db2.gz AZSGUKHKGCKELW-GOSISDBHSA-N 2 2 380.458 3.789 20 0 GHADLP CC[N@H+](Cc1cnn(CC(F)(F)F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537660281 883055489 /nfs/dbraw/zinc/05/54/89/883055489.db2.gz AZSGUKHKGCKELW-GOSISDBHSA-N 2 2 380.458 3.789 20 0 GHADLP CC[NH+](Cc1cnn(CC(F)(F)F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537660281 883055510 /nfs/dbraw/zinc/05/55/10/883055510.db2.gz AZSGUKHKGCKELW-GOSISDBHSA-N 2 2 380.458 3.789 20 0 GHADLP CC[NH+](Cc1cnn(CC(F)(F)F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537660281 883055528 /nfs/dbraw/zinc/05/55/28/883055528.db2.gz AZSGUKHKGCKELW-GOSISDBHSA-N 2 2 380.458 3.789 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2ccc(F)c(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000174382408 876997375 /nfs/dbraw/zinc/99/73/75/876997375.db2.gz CULGWYRGPPPXBS-UHFFFAOYSA-N 2 2 382.911 3.551 20 0 GHADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2ncnn2-c2ccccc2)ccc1OC ZINC000786943048 877068622 /nfs/dbraw/zinc/06/86/22/877068622.db2.gz ZJSPGOLQBVJZNG-GOSISDBHSA-N 2 2 393.535 3.969 20 0 GHADLP CC(C)[C@H](C[NH2+][C@H](C)c1ncc(C(F)(F)F)cc1Cl)N1CC[NH+](C)CC1 ZINC000924630329 877260765 /nfs/dbraw/zinc/26/07/65/877260765.db2.gz BFRRKCACKZVZCR-CJNGLKHVSA-N 2 2 392.897 3.676 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@H](CC(C)(C)C)CC1=O ZINC000787227353 877280748 /nfs/dbraw/zinc/28/07/48/877280748.db2.gz FUJWTJDLNTXFAS-FQEVSTJZSA-N 2 2 386.584 3.862 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@H](CC(C)(C)C)CC1=O ZINC000787227353 877280757 /nfs/dbraw/zinc/28/07/57/877280757.db2.gz FUJWTJDLNTXFAS-FQEVSTJZSA-N 2 2 386.584 3.862 20 0 GHADLP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000451285744 877720650 /nfs/dbraw/zinc/72/06/50/877720650.db2.gz MGATXEIYJCDBMN-NRFANRHFSA-N 2 2 384.568 3.723 20 0 GHADLP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000451285744 877720663 /nfs/dbraw/zinc/72/06/63/877720663.db2.gz MGATXEIYJCDBMN-NRFANRHFSA-N 2 2 384.568 3.723 20 0 GHADLP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c1 ZINC000788244271 877945522 /nfs/dbraw/zinc/94/55/22/877945522.db2.gz OVOZGQRWEBPVCP-IBGZPJMESA-N 2 2 380.536 3.806 20 0 GHADLP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c1 ZINC000788244271 877945540 /nfs/dbraw/zinc/94/55/40/877945540.db2.gz OVOZGQRWEBPVCP-IBGZPJMESA-N 2 2 380.536 3.806 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000530527798 878005140 /nfs/dbraw/zinc/00/51/40/878005140.db2.gz RYMZLNXDPXMUBV-GOSISDBHSA-N 2 2 394.563 3.727 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000530527798 878005159 /nfs/dbraw/zinc/00/51/59/878005159.db2.gz RYMZLNXDPXMUBV-GOSISDBHSA-N 2 2 394.563 3.727 20 0 GHADLP O=C1C[C@H](c2ccccc2F)CN1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788382226 878048066 /nfs/dbraw/zinc/04/80/66/878048066.db2.gz LENKCIGPNYLMSV-SFHVURJKSA-N 2 2 396.510 3.512 20 0 GHADLP CCOCN(C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1c(C)cccc1CC ZINC000788485447 878097334 /nfs/dbraw/zinc/09/73/34/878097334.db2.gz KQIASJSKUZGCRH-WIYYLYMNSA-N 2 2 398.551 3.664 20 0 GHADLP CCOCN(C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1c(C)cccc1CC ZINC000788485447 878097351 /nfs/dbraw/zinc/09/73/51/878097351.db2.gz KQIASJSKUZGCRH-WIYYLYMNSA-N 2 2 398.551 3.664 20 0 GHADLP C[C@@H](CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)Cn1cc[nH+]c1 ZINC000081801503 878254608 /nfs/dbraw/zinc/25/46/08/878254608.db2.gz BHERJWGIRINPIP-IBGZPJMESA-N 2 2 376.504 3.581 20 0 GHADLP C[C@@H](CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)Cn1cc[nH+]c1 ZINC000081801503 878254623 /nfs/dbraw/zinc/25/46/23/878254623.db2.gz BHERJWGIRINPIP-IBGZPJMESA-N 2 2 376.504 3.581 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@@H](C)c1ccc(Cl)cc1 ZINC000285580240 912347469 /nfs/dbraw/zinc/34/74/69/912347469.db2.gz HEVWZLJXTGUORS-VLEKXVRISA-N 2 2 377.960 3.505 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@@H](C)c1ccc(Cl)cc1 ZINC000285580240 912347482 /nfs/dbraw/zinc/34/74/82/912347482.db2.gz HEVWZLJXTGUORS-VLEKXVRISA-N 2 2 377.960 3.505 20 0 GHADLP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000537941187 878556854 /nfs/dbraw/zinc/55/68/54/878556854.db2.gz KNYVIXHVRLOBCG-HXUWFJFHSA-N 2 2 389.337 3.737 20 0 GHADLP CN(C(=O)c1ccc(Cl)c(F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245793436 878598763 /nfs/dbraw/zinc/59/87/63/878598763.db2.gz XTQNIQPQEIGUDY-VQTJNVASSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1ccc(Cl)c(F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245793436 878598776 /nfs/dbraw/zinc/59/87/76/878598776.db2.gz XTQNIQPQEIGUDY-VQTJNVASSA-N 2 2 395.950 3.888 20 0 GHADLP O=C(C=C1CC[NH2+]CC1)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000852863421 878637472 /nfs/dbraw/zinc/63/74/72/878637472.db2.gz OBXQPBYXQWJNKG-UHFFFAOYSA-N 2 2 386.499 3.524 20 0 GHADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000178248180 879057188 /nfs/dbraw/zinc/05/71/88/879057188.db2.gz BYGKZROHCUTVEE-SFHVURJKSA-N 2 2 392.503 3.526 20 0 GHADLP COc1ccccc1-c1ccnc(C2CC[NH+](CCCn3cc[nH+]c3)CC2)n1 ZINC000854096683 879525406 /nfs/dbraw/zinc/52/54/06/879525406.db2.gz WUIVTOWABJRACM-UHFFFAOYSA-N 2 2 377.492 3.618 20 0 GHADLP COc1cc(OC)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1Cl ZINC000246463340 879584784 /nfs/dbraw/zinc/58/47/84/879584784.db2.gz QALBYTCVVNTFDQ-ZOCIIQOWSA-N 2 2 396.959 3.776 20 0 GHADLP COc1cc(C[NH2+]C[C@]2([NH+](C)C)CCSC2)c(-c2ccccc2)cc1OC ZINC000531360347 879697606 /nfs/dbraw/zinc/69/76/06/879697606.db2.gz RQGGLBAZEYSVPH-JOCHJYFZSA-N 2 2 386.561 3.898 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246577273 879697734 /nfs/dbraw/zinc/69/77/34/879697734.db2.gz LUCIAMUMMZSSMJ-GXKRZCMTSA-N 2 2 381.564 3.692 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246577273 879697739 /nfs/dbraw/zinc/69/77/39/879697739.db2.gz LUCIAMUMMZSSMJ-GXKRZCMTSA-N 2 2 381.564 3.692 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246577273 879697742 /nfs/dbraw/zinc/69/77/42/879697742.db2.gz LUCIAMUMMZSSMJ-GXKRZCMTSA-N 2 2 381.564 3.692 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246577273 879697744 /nfs/dbraw/zinc/69/77/44/879697744.db2.gz LUCIAMUMMZSSMJ-GXKRZCMTSA-N 2 2 381.564 3.692 20 0 GHADLP CCN(C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000247006946 879881342 /nfs/dbraw/zinc/88/13/42/879881342.db2.gz IUEXOTPDRVQQSB-GHTZIAJQSA-N 2 2 375.532 3.686 20 0 GHADLP CCN(C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000247006946 879881356 /nfs/dbraw/zinc/88/13/56/879881356.db2.gz IUEXOTPDRVQQSB-GHTZIAJQSA-N 2 2 375.532 3.686 20 0 GHADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247035675 879895247 /nfs/dbraw/zinc/89/52/47/879895247.db2.gz RNDOLEYAXKMHBD-QHAWAJNXSA-N 2 2 383.580 3.546 20 0 GHADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247035675 879895255 /nfs/dbraw/zinc/89/52/55/879895255.db2.gz RNDOLEYAXKMHBD-QHAWAJNXSA-N 2 2 383.580 3.546 20 0 GHADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247035675 879895271 /nfs/dbraw/zinc/89/52/71/879895271.db2.gz RNDOLEYAXKMHBD-QHAWAJNXSA-N 2 2 383.580 3.546 20 0 GHADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247035675 879895288 /nfs/dbraw/zinc/89/52/88/879895288.db2.gz RNDOLEYAXKMHBD-QHAWAJNXSA-N 2 2 383.580 3.546 20 0 GHADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247072635 879907654 /nfs/dbraw/zinc/90/76/54/879907654.db2.gz QHAQYXLWBBNWTA-HYBUGGRVSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247072635 879907667 /nfs/dbraw/zinc/90/76/67/879907667.db2.gz QHAQYXLWBBNWTA-HYBUGGRVSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247072635 879907672 /nfs/dbraw/zinc/90/76/72/879907672.db2.gz QHAQYXLWBBNWTA-HYBUGGRVSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247072635 879907679 /nfs/dbraw/zinc/90/76/79/879907679.db2.gz QHAQYXLWBBNWTA-HYBUGGRVSA-N 3 2 380.580 3.922 20 0 GHADLP C[NH+](C)CC[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C(C)(C)C ZINC000247656464 880040076 /nfs/dbraw/zinc/04/00/76/880040076.db2.gz XEMZGJSDSFXBCZ-QHAWAJNXSA-N 2 2 397.567 3.777 20 0 GHADLP CCO[C@@H](C)c1nc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cs1 ZINC000182965206 880045779 /nfs/dbraw/zinc/04/57/79/880045779.db2.gz OZCPMYHPDIOLFC-KRWDZBQOSA-N 2 2 381.586 3.565 20 0 GHADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000183821322 880159761 /nfs/dbraw/zinc/15/97/61/880159761.db2.gz LYRROODLRVQNAU-ROUUACIJSA-N 2 2 376.541 3.596 20 0 GHADLP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000531692958 880349641 /nfs/dbraw/zinc/34/96/41/880349641.db2.gz IBVQGFNFPZOJMV-LJQANCHMSA-N 2 2 384.520 3.565 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000531733081 880360951 /nfs/dbraw/zinc/36/09/51/880360951.db2.gz DFSHRJIWJRCCHM-ZFWWWQNUSA-N 2 2 390.915 3.738 20 0 GHADLP Fc1ccccc1COC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000643251536 912573851 /nfs/dbraw/zinc/57/38/51/912573851.db2.gz LUXAGFUGVLWHKK-UHFFFAOYSA-N 2 2 398.522 3.839 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC12CC([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C2 ZINC001183498189 912593488 /nfs/dbraw/zinc/59/34/88/912593488.db2.gz DOTVBHBRKJQZFX-DBAFAGGRSA-N 2 2 382.508 3.660 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccnn1-c1ccccc1 ZINC000467348499 881136753 /nfs/dbraw/zinc/13/67/53/881136753.db2.gz GARRXCXLCXEJSL-YLJYHZDGSA-N 2 2 376.508 3.581 20 0 GHADLP COc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000643377008 912665580 /nfs/dbraw/zinc/66/55/80/912665580.db2.gz FMPGLFCDLCVNCG-NRFANRHFSA-N 2 2 384.495 3.955 20 0 GHADLP Cc1sc2nc([C@@H](C)[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)nc(N)c2c1C ZINC000181053163 883120923 /nfs/dbraw/zinc/12/09/23/883120923.db2.gz CGFBFLMQPRJXNV-UKRRQHHQSA-N 2 2 384.553 3.640 20 0 GHADLP Cc1sc2nc([C@@H](C)[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)nc(N)c2c1C ZINC000181053163 883120927 /nfs/dbraw/zinc/12/09/27/883120927.db2.gz CGFBFLMQPRJXNV-UKRRQHHQSA-N 2 2 384.553 3.640 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134943023 883128224 /nfs/dbraw/zinc/12/82/24/883128224.db2.gz HNAJPTJKYAQSTE-ZFJSRUIDSA-N 2 2 395.591 3.762 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134943023 883128228 /nfs/dbraw/zinc/12/82/28/883128228.db2.gz HNAJPTJKYAQSTE-ZFJSRUIDSA-N 2 2 395.591 3.762 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134943023 883128233 /nfs/dbraw/zinc/12/82/33/883128233.db2.gz HNAJPTJKYAQSTE-ZFJSRUIDSA-N 2 2 395.591 3.762 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134943023 883128238 /nfs/dbraw/zinc/12/82/38/883128238.db2.gz HNAJPTJKYAQSTE-ZFJSRUIDSA-N 2 2 395.591 3.762 20 0 GHADLP COc1c(Br)cccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000181262376 883130718 /nfs/dbraw/zinc/13/07/18/883130718.db2.gz LPGXKIGREVSIPN-UHFFFAOYSA-N 2 2 376.298 3.611 20 0 GHADLP Cc1nc2ccc(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)cc2s1 ZINC000428544815 883999118 /nfs/dbraw/zinc/99/91/18/883999118.db2.gz KINXAIPHZKSBKG-FQEVSTJZSA-N 2 2 381.545 3.985 20 0 GHADLP Cc1nc2ccc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)cc2s1 ZINC000428544815 883999123 /nfs/dbraw/zinc/99/91/23/883999123.db2.gz KINXAIPHZKSBKG-FQEVSTJZSA-N 2 2 381.545 3.985 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)C2 ZINC000476239757 884309806 /nfs/dbraw/zinc/30/98/06/884309806.db2.gz RCXOELJKPVAXFK-IEBWSBKVSA-N 2 2 382.552 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)C2 ZINC000476239757 884309827 /nfs/dbraw/zinc/30/98/27/884309827.db2.gz RCXOELJKPVAXFK-IEBWSBKVSA-N 2 2 382.552 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)CC2 ZINC000476239757 884309847 /nfs/dbraw/zinc/30/98/47/884309847.db2.gz RCXOELJKPVAXFK-IEBWSBKVSA-N 2 2 382.552 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)CC2 ZINC000476239757 884309866 /nfs/dbraw/zinc/30/98/66/884309866.db2.gz RCXOELJKPVAXFK-IEBWSBKVSA-N 2 2 382.552 3.665 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2c(Br)cnn2C)CC1 ZINC000494987144 884319976 /nfs/dbraw/zinc/31/99/76/884319976.db2.gz SIQZGELOEIOQGT-HNNXBMFYSA-N 2 2 383.378 3.659 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2c(Br)cnn2C)CC1 ZINC000494987144 884319995 /nfs/dbraw/zinc/31/99/95/884319995.db2.gz SIQZGELOEIOQGT-HNNXBMFYSA-N 2 2 383.378 3.659 20 0 GHADLP c1nnc([C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C2CCCCC2)[nH]1 ZINC000495065361 884468070 /nfs/dbraw/zinc/46/80/70/884468070.db2.gz ZLLJPZJDJIHNSV-NRFANRHFSA-N 2 2 383.540 3.691 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000495095262 884532292 /nfs/dbraw/zinc/53/22/92/884532292.db2.gz WQZGCJYMTAIYGH-DYESRHJHSA-N 2 2 378.532 3.772 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000130339613 884558322 /nfs/dbraw/zinc/55/83/22/884558322.db2.gz SNISWLBBOBMNIE-UHFFFAOYSA-N 2 2 383.521 3.584 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000130339613 884558334 /nfs/dbraw/zinc/55/83/34/884558334.db2.gz SNISWLBBOBMNIE-UHFFFAOYSA-N 2 2 383.521 3.584 20 0 GHADLP COC(=O)c1ccc2cc(CC[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)oc2c1 ZINC000898220186 884637469 /nfs/dbraw/zinc/63/74/69/884637469.db2.gz XCTVPFCDVUGHBM-UHFFFAOYSA-N 2 2 398.425 3.768 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1C ZINC000806641463 884891735 /nfs/dbraw/zinc/89/17/35/884891735.db2.gz NGOQSARDHKLFSW-FXAWDEMLSA-N 2 2 384.524 3.506 20 0 GHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000498598468 884990559 /nfs/dbraw/zinc/99/05/59/884990559.db2.gz RPGWJFASBIOKGP-RTWAWAEBSA-N 2 2 381.520 3.587 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000130701983 885028941 /nfs/dbraw/zinc/02/89/41/885028941.db2.gz SDOIAYHVRNPSFL-UHFFFAOYSA-N 2 2 396.314 3.588 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000532449961 885512525 /nfs/dbraw/zinc/51/25/25/885512525.db2.gz MHAFSICBPQGLAE-HUUCEWRRSA-N 2 2 382.346 3.630 20 0 GHADLP CN(C(=O)NCCCC1CCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000666614586 885547652 /nfs/dbraw/zinc/54/76/52/885547652.db2.gz RWGXJMFGJJPGNZ-LEWJYISDSA-N 2 2 378.605 3.545 20 0 GHADLP CN(C(=O)NCCCC1CCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000666614586 885547663 /nfs/dbraw/zinc/54/76/63/885547663.db2.gz RWGXJMFGJJPGNZ-LEWJYISDSA-N 2 2 378.605 3.545 20 0 GHADLP COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)[NH+](C)C)cc1OC ZINC000550678819 885850584 /nfs/dbraw/zinc/85/05/84/885850584.db2.gz UYOGEDXTXKWISV-VSKRKVRLSA-N 2 2 397.563 3.732 20 0 GHADLP COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)[NH+](C)C)cc1OC ZINC000550678819 885850597 /nfs/dbraw/zinc/85/05/97/885850597.db2.gz UYOGEDXTXKWISV-VSKRKVRLSA-N 2 2 397.563 3.732 20 0 GHADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)N(C)C)cc1OC ZINC000550678819 885850606 /nfs/dbraw/zinc/85/06/06/885850606.db2.gz UYOGEDXTXKWISV-VSKRKVRLSA-N 2 2 397.563 3.732 20 0 GHADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)N(C)C)cc1OC ZINC000550678819 885850616 /nfs/dbraw/zinc/85/06/16/885850616.db2.gz UYOGEDXTXKWISV-VSKRKVRLSA-N 2 2 397.563 3.732 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000532514326 885907357 /nfs/dbraw/zinc/90/73/57/885907357.db2.gz NIZFXMKRSOGBBX-RHSMWYFYSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000532514326 885907363 /nfs/dbraw/zinc/90/73/63/885907363.db2.gz NIZFXMKRSOGBBX-RHSMWYFYSA-N 2 2 394.357 3.773 20 0 GHADLP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117774030 886111032 /nfs/dbraw/zinc/11/10/32/886111032.db2.gz HRBKNGZQUDHPKO-KRWDZBQOSA-N 2 2 380.517 3.576 20 0 GHADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117774030 886111036 /nfs/dbraw/zinc/11/10/36/886111036.db2.gz HRBKNGZQUDHPKO-KRWDZBQOSA-N 2 2 380.517 3.576 20 0 GHADLP Cc1c([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cnn1-c1ccccc1 ZINC000777257028 886332272 /nfs/dbraw/zinc/33/22/72/886332272.db2.gz YLFYNITZDNULCF-UTKZUKDTSA-N 2 2 390.535 3.889 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(s1)CCCCCC2 ZINC000495787792 886763643 /nfs/dbraw/zinc/76/36/43/886763643.db2.gz HNALYFRTJHBXOT-UHFFFAOYSA-N 2 2 377.598 3.505 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(s1)CCCCCC2 ZINC000495787792 886763655 /nfs/dbraw/zinc/76/36/55/886763655.db2.gz HNALYFRTJHBXOT-UHFFFAOYSA-N 2 2 377.598 3.505 20 0 GHADLP Cc1cc(F)ccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000119579046 886765712 /nfs/dbraw/zinc/76/57/12/886765712.db2.gz VYCOAPIDBOKSGW-LEWJYISDSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cc(F)ccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000119579046 886765723 /nfs/dbraw/zinc/76/57/23/886765723.db2.gz VYCOAPIDBOKSGW-LEWJYISDSA-N 2 2 390.547 3.935 20 0 GHADLP O[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccc(F)cc1F ZINC000747532339 886868364 /nfs/dbraw/zinc/86/83/64/886868364.db2.gz WUBNMKGQSOXTDP-DHIUTWEWSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccc(F)cc1F ZINC000747532339 886868383 /nfs/dbraw/zinc/86/83/83/886868383.db2.gz WUBNMKGQSOXTDP-DHIUTWEWSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccc(F)cc1F ZINC000747532339 886868402 /nfs/dbraw/zinc/86/84/02/886868402.db2.gz WUBNMKGQSOXTDP-DHIUTWEWSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccc(F)cc1F ZINC000747532339 886868417 /nfs/dbraw/zinc/86/84/17/886868417.db2.gz WUBNMKGQSOXTDP-DHIUTWEWSA-N 2 2 386.486 3.986 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237613192 886969455 /nfs/dbraw/zinc/96/94/55/886969455.db2.gz OMXPKKLVBJMORE-IYBDPMFKSA-N 2 2 390.959 3.731 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237613192 886969464 /nfs/dbraw/zinc/96/94/64/886969464.db2.gz OMXPKKLVBJMORE-IYBDPMFKSA-N 2 2 390.959 3.731 20 0 GHADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000810218246 888296574 /nfs/dbraw/zinc/29/65/74/888296574.db2.gz HOZPJXYTUKLUFC-NLWGTHIKSA-N 2 2 390.572 3.575 20 0 GHADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000810218246 888296586 /nfs/dbraw/zinc/29/65/86/888296586.db2.gz HOZPJXYTUKLUFC-NLWGTHIKSA-N 2 2 390.572 3.575 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000648934429 888418944 /nfs/dbraw/zinc/41/89/44/888418944.db2.gz YLXZALFHBPDILC-CYBMUJFWSA-N 2 2 375.542 3.648 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000648934429 888418950 /nfs/dbraw/zinc/41/89/50/888418950.db2.gz YLXZALFHBPDILC-CYBMUJFWSA-N 2 2 375.542 3.648 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1)c1ccc(Cl)cc1 ZINC000729683868 888527590 /nfs/dbraw/zinc/52/75/90/888527590.db2.gz DREZWKXEWGEYRV-NHCUHLMSSA-N 2 2 399.922 3.545 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1)c1ccc(Cl)cc1 ZINC000729683868 888527595 /nfs/dbraw/zinc/52/75/95/888527595.db2.gz DREZWKXEWGEYRV-NHCUHLMSSA-N 2 2 399.922 3.545 20 0 GHADLP c1c(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc2n1Cc1ccccc1 ZINC000729683781 888534233 /nfs/dbraw/zinc/53/42/33/888534233.db2.gz AUBSXFRMEZKXFG-FCHUYYIVSA-N 2 2 375.516 3.642 20 0 GHADLP c1c(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c2ccccc2n1Cc1ccccc1 ZINC000729683781 888534246 /nfs/dbraw/zinc/53/42/46/888534246.db2.gz AUBSXFRMEZKXFG-FCHUYYIVSA-N 2 2 375.516 3.642 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c(C)c1 ZINC000810698849 888808964 /nfs/dbraw/zinc/80/89/64/888808964.db2.gz XNEHIFPGSCFQSK-SIKLNZKXSA-N 2 2 386.515 3.570 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)c(C)c1 ZINC000810698849 888808976 /nfs/dbraw/zinc/80/89/76/888808976.db2.gz XNEHIFPGSCFQSK-SIKLNZKXSA-N 2 2 386.515 3.570 20 0 GHADLP COc1cccc([C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)N(C)C)c1 ZINC000121713642 889099955 /nfs/dbraw/zinc/09/99/55/889099955.db2.gz XSFRDFYNVBYOLR-XMMPIXPASA-N 2 2 381.564 3.595 20 0 GHADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245700497 889281164 /nfs/dbraw/zinc/28/11/64/889281164.db2.gz LRZOSEZGFDVPFX-NHTNDUFYSA-N 3 2 397.607 3.540 20 0 GHADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245700497 889281177 /nfs/dbraw/zinc/28/11/77/889281177.db2.gz LRZOSEZGFDVPFX-NHTNDUFYSA-N 3 2 397.607 3.540 20 0 GHADLP CN(C(=O)c1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124808014 889770678 /nfs/dbraw/zinc/77/06/78/889770678.db2.gz AJPWUOCZABEYKS-UXHICEINSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124808014 889770687 /nfs/dbraw/zinc/77/06/87/889770687.db2.gz AJPWUOCZABEYKS-UXHICEINSA-N 2 2 395.950 3.888 20 0 GHADLP COCCC[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000124809350 889771817 /nfs/dbraw/zinc/77/18/17/889771817.db2.gz MXUHYBZGUHHMNJ-UHFFFAOYSA-N 2 2 398.595 3.819 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)cc1F ZINC000124884148 889802928 /nfs/dbraw/zinc/80/29/28/889802928.db2.gz PUBYRUVLOUJPHA-NHCUHLMSSA-N 2 2 393.522 3.682 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)cc1F ZINC000124884148 889802940 /nfs/dbraw/zinc/80/29/40/889802940.db2.gz PUBYRUVLOUJPHA-NHCUHLMSSA-N 2 2 393.522 3.682 20 0 GHADLP CC[C@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[NH+](C)C ZINC000125124451 889881756 /nfs/dbraw/zinc/88/17/56/889881756.db2.gz ZXDYAMVTICFBCL-JOCHJYFZSA-N 2 2 376.504 3.555 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC000795102327 890261702 /nfs/dbraw/zinc/26/17/02/890261702.db2.gz NSVOIDZOOUPHBP-UYAOXDASSA-N 2 2 382.508 3.704 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC000795102327 890261717 /nfs/dbraw/zinc/26/17/17/890261717.db2.gz NSVOIDZOOUPHBP-UYAOXDASSA-N 2 2 382.508 3.704 20 0 GHADLP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(Cl)c1F ZINC000287630054 913457195 /nfs/dbraw/zinc/45/71/95/913457195.db2.gz KIDDDSLMMZMSAT-PXNSSMCTSA-N 2 2 392.902 3.523 20 0 GHADLP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(Cl)c1F ZINC000287630054 913457203 /nfs/dbraw/zinc/45/72/03/913457203.db2.gz KIDDDSLMMZMSAT-PXNSSMCTSA-N 2 2 392.902 3.523 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cc(F)cc(C(F)(F)F)c3)[nH+]c2)CC1 ZINC000533446588 890610412 /nfs/dbraw/zinc/61/04/12/890610412.db2.gz UFVRQABFDLDNCF-UHFFFAOYSA-N 2 2 396.432 3.804 20 0 GHADLP CN(C(=O)c1cccc2c1ccn2C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533646519 891036353 /nfs/dbraw/zinc/03/63/53/891036353.db2.gz CTLUCWDFSYHHJJ-PKTZIBPZSA-N 2 2 396.579 3.588 20 0 GHADLP CN(C(=O)c1cccc2c1ccn2C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533646519 891036364 /nfs/dbraw/zinc/03/63/64/891036364.db2.gz CTLUCWDFSYHHJJ-PKTZIBPZSA-N 2 2 396.579 3.588 20 0 GHADLP CCCCSCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648720 891044179 /nfs/dbraw/zinc/04/41/79/891044179.db2.gz QYBQPPGUHNMMQB-PMACEKPBSA-N 2 2 383.646 3.705 20 0 GHADLP CCCCSCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648720 891044193 /nfs/dbraw/zinc/04/41/93/891044193.db2.gz QYBQPPGUHNMMQB-PMACEKPBSA-N 2 2 383.646 3.705 20 0 GHADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000123833497 891056554 /nfs/dbraw/zinc/05/65/54/891056554.db2.gz BXNGGQPVRRVEIJ-GOSISDBHSA-N 2 2 393.466 3.566 20 0 GHADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000123833497 891056568 /nfs/dbraw/zinc/05/65/68/891056568.db2.gz BXNGGQPVRRVEIJ-GOSISDBHSA-N 2 2 393.466 3.566 20 0 GHADLP C[C@H]1C[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000533665494 891074906 /nfs/dbraw/zinc/07/49/06/891074906.db2.gz QTHYSLADPKJUDR-YUQCVWRMSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@H]1C[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000533665494 891074919 /nfs/dbraw/zinc/07/49/19/891074919.db2.gz QTHYSLADPKJUDR-YUQCVWRMSA-N 2 2 392.632 3.790 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@@H](C(C)(C)C)C3)CC2)cc1 ZINC000872075579 891141291 /nfs/dbraw/zinc/14/12/91/891141291.db2.gz DVCBQGIBPMSIRB-FGZHOGPDSA-N 2 2 387.568 3.793 20 0 GHADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)C[C@H]1C(F)(F)F ZINC000872150571 891183558 /nfs/dbraw/zinc/18/35/58/891183558.db2.gz FRICEQVZHQUSLM-GXTWGEPZSA-N 2 2 388.231 3.566 20 0 GHADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)C[C@H]1C(F)(F)F ZINC000872150571 891183562 /nfs/dbraw/zinc/18/35/62/891183562.db2.gz FRICEQVZHQUSLM-GXTWGEPZSA-N 2 2 388.231 3.566 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cccc(-n2ccnn2)c1 ZINC000287792442 913537801 /nfs/dbraw/zinc/53/78/01/913537801.db2.gz SVNWFMROBDOLJR-QZTJIDSGSA-N 2 2 376.508 3.539 20 0 GHADLP C[C@@H]([NH2+]C1(CN[C@@H](C)c2cn3c([nH+]2)CCCC3)CCOCC1)c1ccccc1 ZINC000813325699 891487893 /nfs/dbraw/zinc/48/78/93/891487893.db2.gz JGHNOYBZCZMPFW-MOPGFXCFSA-N 2 2 382.552 3.770 20 0 GHADLP FC(F)Oc1ccc([C@@H]2C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)cc1 ZINC000873208392 891523946 /nfs/dbraw/zinc/52/39/46/891523946.db2.gz NMTLFMCGWAIFHP-KRWDZBQOSA-N 2 2 380.460 3.569 20 0 GHADLP FC(F)Oc1ccc([C@@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)cc1 ZINC000873208392 891523955 /nfs/dbraw/zinc/52/39/55/891523955.db2.gz NMTLFMCGWAIFHP-KRWDZBQOSA-N 2 2 380.460 3.569 20 0 GHADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C[C@H]1C(F)(F)F ZINC000873228161 891534333 /nfs/dbraw/zinc/53/43/33/891534333.db2.gz QACLJQRSIVQPSV-QZTJIDSGSA-N 2 2 392.469 3.794 20 0 GHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C[C@H]1C(F)(F)F ZINC000873228161 891534343 /nfs/dbraw/zinc/53/43/43/891534343.db2.gz QACLJQRSIVQPSV-QZTJIDSGSA-N 2 2 392.469 3.794 20 0 GHADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccn3)C[C@H]1C)CCO2 ZINC000252696105 891727005 /nfs/dbraw/zinc/72/70/05/891727005.db2.gz LUBRILJATGEEFS-ZPMCFJSWSA-N 2 2 381.520 3.804 20 0 GHADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccn3)C[C@H]1C)CCO2 ZINC000252696105 891727010 /nfs/dbraw/zinc/72/70/10/891727010.db2.gz LUBRILJATGEEFS-ZPMCFJSWSA-N 2 2 381.520 3.804 20 0 GHADLP C[C@@H](CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000508709215 892802319 /nfs/dbraw/zinc/80/23/19/892802319.db2.gz GQOPFFKNXBISKH-HFMPRLQTSA-N 2 2 377.576 3.933 20 0 GHADLP C[C@@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000508709215 892802342 /nfs/dbraw/zinc/80/23/42/892802342.db2.gz GQOPFFKNXBISKH-HFMPRLQTSA-N 2 2 377.576 3.933 20 0 GHADLP C[C@@H](CN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000508709215 892802368 /nfs/dbraw/zinc/80/23/68/892802368.db2.gz GQOPFFKNXBISKH-HFMPRLQTSA-N 2 2 377.576 3.933 20 0 GHADLP C[C@@H](CN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000508709215 892802389 /nfs/dbraw/zinc/80/23/89/892802389.db2.gz GQOPFFKNXBISKH-HFMPRLQTSA-N 2 2 377.576 3.933 20 0 GHADLP O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000876033102 892919631 /nfs/dbraw/zinc/91/96/31/892919631.db2.gz KKPTWWGXXFAHAO-NRFANRHFSA-N 2 2 395.551 3.601 20 0 GHADLP C[NH+](C)C1(C)CCC(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000876111014 892972651 /nfs/dbraw/zinc/97/26/51/892972651.db2.gz UUCCVLYVCQETKD-VRCACPIISA-N 2 2 395.551 3.674 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000428649143 893052080 /nfs/dbraw/zinc/05/20/80/893052080.db2.gz JWKOTUFEVLZHNA-UHFFFAOYSA-N 2 2 376.504 3.501 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000428649143 893052097 /nfs/dbraw/zinc/05/20/97/893052097.db2.gz JWKOTUFEVLZHNA-UHFFFAOYSA-N 2 2 376.504 3.501 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000428700807 893327450 /nfs/dbraw/zinc/32/74/50/893327450.db2.gz PEOUVJNFFAYCLU-NRFANRHFSA-N 2 2 397.567 3.704 20 0 GHADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1nc(Cl)ccc1Br ZINC000876987409 893421480 /nfs/dbraw/zinc/42/14/80/893421480.db2.gz YUFDJARGZCUIOU-UHFFFAOYSA-N 2 2 398.732 3.728 20 0 GHADLP CN(c1ccccc1C[NH2+]Cc1c(F)cc(F)cc1F)C1CC[NH+](C)CC1 ZINC000815152534 893486911 /nfs/dbraw/zinc/48/69/11/893486911.db2.gz PIDYJQLBHHARMH-UHFFFAOYSA-N 2 2 377.454 3.924 20 0 GHADLP [NH3+][C@H](C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1)C1CCCC1 ZINC000877444380 893605526 /nfs/dbraw/zinc/60/55/26/893605526.db2.gz JUIKYOYLFIOSOZ-NFBKMPQASA-N 2 2 394.563 3.620 20 0 GHADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000288524015 913794153 /nfs/dbraw/zinc/79/41/53/913794153.db2.gz JRILDTXHYIARBG-UHFFFAOYSA-N 2 2 388.562 3.887 20 0 GHADLP COCC[N@@H+](Cc1csc(COc2ccccc2)n1)CC1CC[NH+](C)CC1 ZINC000877665372 893751528 /nfs/dbraw/zinc/75/15/28/893751528.db2.gz SOTUOXIFRYWQIN-UHFFFAOYSA-N 2 2 389.565 3.512 20 0 GHADLP COCC[N@H+](Cc1csc(COc2ccccc2)n1)CC1CC[NH+](C)CC1 ZINC000877665372 893751536 /nfs/dbraw/zinc/75/15/36/893751536.db2.gz SOTUOXIFRYWQIN-UHFFFAOYSA-N 2 2 389.565 3.512 20 0 GHADLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(=O)Nc1nccs1 ZINC000556118129 893831353 /nfs/dbraw/zinc/83/13/53/893831353.db2.gz LCFPVQVNJHPOLB-QYZOEREBSA-N 2 2 386.565 3.921 20 0 GHADLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(=O)Nc1nccs1 ZINC000556118129 893831367 /nfs/dbraw/zinc/83/13/67/893831367.db2.gz LCFPVQVNJHPOLB-QYZOEREBSA-N 2 2 386.565 3.921 20 0 GHADLP C[C@@H]1C[C@H](CC[NH2+][C@H](c2cccs2)c2nnc[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000556120747 893836230 /nfs/dbraw/zinc/83/62/30/893836230.db2.gz YDUXWUURJFBFNY-IMFGXOCKSA-N 2 2 381.549 3.846 20 0 GHADLP C[C@@H]1C[C@H](CC[NH2+][C@H](c2cccs2)c2nnc[nH]2)C[N@H+]1Cc1ccccc1 ZINC000556120747 893836250 /nfs/dbraw/zinc/83/62/50/893836250.db2.gz YDUXWUURJFBFNY-IMFGXOCKSA-N 2 2 381.549 3.846 20 0 GHADLP C[C@@H]1C[C@@H](CC[NH2+][C@H](c2cccs2)c2nnc[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000556120750 893836624 /nfs/dbraw/zinc/83/66/24/893836624.db2.gz YDUXWUURJFBFNY-YVWKXTFCSA-N 2 2 381.549 3.846 20 0 GHADLP C[C@@H]1C[C@@H](CC[NH2+][C@H](c2cccs2)c2nnc[nH]2)C[N@H+]1Cc1ccccc1 ZINC000556120750 893836638 /nfs/dbraw/zinc/83/66/38/893836638.db2.gz YDUXWUURJFBFNY-YVWKXTFCSA-N 2 2 381.549 3.846 20 0 GHADLP Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+]CCCn2cc[nH+]c2)c1 ZINC000459766546 894190996 /nfs/dbraw/zinc/19/09/96/894190996.db2.gz OVIUFBKHYDPFDZ-XZOQPEGZSA-N 2 2 378.495 3.670 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2c(C)cccc2Cl)[C@@H](C)C1 ZINC000878445388 894297907 /nfs/dbraw/zinc/29/79/07/894297907.db2.gz GIIUOWAMPFLFCT-SCTDSRPQSA-N 2 2 395.975 3.702 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2c(C)cccc2Cl)[C@@H](C)C1 ZINC000878445388 894297918 /nfs/dbraw/zinc/29/79/18/894297918.db2.gz GIIUOWAMPFLFCT-SCTDSRPQSA-N 2 2 395.975 3.702 20 0 GHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@H](C)c3cccs3)CC2)cc1 ZINC000537211524 894566680 /nfs/dbraw/zinc/56/66/80/894566680.db2.gz ILWMYJVQCMZLEZ-LJQANCHMSA-N 2 2 385.577 3.784 20 0 GHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@H](C)c3cccs3)CC2)cc1 ZINC000537211524 894566691 /nfs/dbraw/zinc/56/66/91/894566691.db2.gz ILWMYJVQCMZLEZ-LJQANCHMSA-N 2 2 385.577 3.784 20 0 GHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@H](C)c3cccs3)CC2)cc1 ZINC000537211524 894566706 /nfs/dbraw/zinc/56/67/06/894566706.db2.gz ILWMYJVQCMZLEZ-LJQANCHMSA-N 2 2 385.577 3.784 20 0 GHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@H](C)c3cccs3)CC2)cc1 ZINC000537211524 894566717 /nfs/dbraw/zinc/56/67/17/894566717.db2.gz ILWMYJVQCMZLEZ-LJQANCHMSA-N 2 2 385.577 3.784 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000816451480 894845396 /nfs/dbraw/zinc/84/53/96/894845396.db2.gz MLLJNLHBXXRGBS-XMSQKQJNSA-N 2 2 375.472 3.940 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000816451480 894845411 /nfs/dbraw/zinc/84/54/11/894845411.db2.gz MLLJNLHBXXRGBS-XMSQKQJNSA-N 2 2 375.472 3.940 20 0 GHADLP CCC[N@H+](CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)Cc1ccc(C)cc1 ZINC000565281501 895501983 /nfs/dbraw/zinc/50/19/83/895501983.db2.gz XMLDAKULMZZYDN-UHFFFAOYSA-N 2 2 386.565 3.898 20 0 GHADLP CCC[N@@H+](CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)Cc1ccc(C)cc1 ZINC000565281501 895501988 /nfs/dbraw/zinc/50/19/88/895501988.db2.gz XMLDAKULMZZYDN-UHFFFAOYSA-N 2 2 386.565 3.898 20 0 GHADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000880135514 895534107 /nfs/dbraw/zinc/53/41/07/895534107.db2.gz WQLXNLAUCWPGLQ-LEWJYISDSA-N 2 2 379.504 3.976 20 0 GHADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000880135514 895534114 /nfs/dbraw/zinc/53/41/14/895534114.db2.gz WQLXNLAUCWPGLQ-LEWJYISDSA-N 2 2 379.504 3.976 20 0 GHADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000880135514 895534124 /nfs/dbraw/zinc/53/41/24/895534124.db2.gz WQLXNLAUCWPGLQ-LEWJYISDSA-N 2 2 379.504 3.976 20 0 GHADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000880135514 895534152 /nfs/dbraw/zinc/53/41/52/895534152.db2.gz WQLXNLAUCWPGLQ-LEWJYISDSA-N 2 2 379.504 3.976 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C(C)=C/c3cccc(Cl)c3)CC2)CC1 ZINC000817656755 895793204 /nfs/dbraw/zinc/79/32/04/895793204.db2.gz OBPYRZIEYPKJGA-FBMGVBCBSA-N 2 2 389.971 3.762 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C(C)=C/c3cccc(Cl)c3)CC2)CC1 ZINC000817656755 895793223 /nfs/dbraw/zinc/79/32/23/895793223.db2.gz OBPYRZIEYPKJGA-FBMGVBCBSA-N 2 2 389.971 3.762 20 0 GHADLP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cc(Br)ncc1F ZINC000817984568 895992722 /nfs/dbraw/zinc/99/27/22/895992722.db2.gz UJBMMJXILFUJIS-STDAWHRDSA-N 2 2 382.321 3.787 20 0 GHADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566245559 896197014 /nfs/dbraw/zinc/19/70/14/896197014.db2.gz VEQWWQGYVZKIAS-GOSISDBHSA-N 2 2 387.568 3.559 20 0 GHADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566245559 896197015 /nfs/dbraw/zinc/19/70/15/896197015.db2.gz VEQWWQGYVZKIAS-GOSISDBHSA-N 2 2 387.568 3.559 20 0 GHADLP Clc1cccc(N2CC[NH+](C3CC[NH+](CCC[C@H]4CCOC4)CC3)CC2)c1 ZINC000645927244 914133581 /nfs/dbraw/zinc/13/35/81/914133581.db2.gz ZFVCDUGAMZARTR-IBGZPJMESA-N 2 2 391.987 3.743 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000567801688 897408016 /nfs/dbraw/zinc/40/80/16/897408016.db2.gz QKIQXCCMOABBFG-OAQYLSRUSA-N 2 2 396.922 3.546 20 0 GHADLP Cc1cc(SC(C)(C)C)ccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000820737765 897526275 /nfs/dbraw/zinc/52/62/75/897526275.db2.gz LAHXQPRUNYBNLZ-UHFFFAOYSA-N 2 2 380.602 3.891 20 0 GHADLP Cc1cc(SC(C)(C)C)ccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000820737765 897526283 /nfs/dbraw/zinc/52/62/83/897526283.db2.gz LAHXQPRUNYBNLZ-UHFFFAOYSA-N 2 2 380.602 3.891 20 0 GHADLP CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000568036289 897549506 /nfs/dbraw/zinc/54/95/06/897549506.db2.gz HKUOLISGTOVRJJ-QGZVFWFLSA-N 2 2 381.524 3.834 20 0 GHADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000883442889 897586470 /nfs/dbraw/zinc/58/64/70/897586470.db2.gz VEZFKEZSCNCYSW-IUCAKERBSA-N 2 2 385.122 3.954 20 0 GHADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000883501931 897632511 /nfs/dbraw/zinc/63/25/11/897632511.db2.gz WTGCRXWWZKAWJX-HRTMPFAESA-N 2 2 395.551 3.721 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cc4[nH]ccc4cc3C)CC2)CC1 ZINC000568737498 898074763 /nfs/dbraw/zinc/07/47/63/898074763.db2.gz YEHXTIFBOCFMEJ-UHFFFAOYSA-N 2 2 383.540 3.500 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cc4[nH]ccc4cc3C)CC2)CC1 ZINC000568737498 898074771 /nfs/dbraw/zinc/07/47/71/898074771.db2.gz YEHXTIFBOCFMEJ-UHFFFAOYSA-N 2 2 383.540 3.500 20 0 GHADLP COc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc(OC)c1O ZINC000569271814 898490110 /nfs/dbraw/zinc/49/01/10/898490110.db2.gz CLEBLFBAXQNEGP-IBGZPJMESA-N 2 2 381.476 3.754 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(-c2c(F)cccc2F)cc1 ZINC000569294491 898515669 /nfs/dbraw/zinc/51/56/69/898515669.db2.gz XESUVDQPKXOJLZ-QRWLVFNGSA-N 2 2 387.474 3.622 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(-c2c(F)cccc2F)cc1 ZINC000569294491 898515677 /nfs/dbraw/zinc/51/56/77/898515677.db2.gz XESUVDQPKXOJLZ-QRWLVFNGSA-N 2 2 387.474 3.622 20 0 GHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000109793344 898594924 /nfs/dbraw/zinc/59/49/24/898594924.db2.gz MTQZRLACKDLNJF-OAQYLSRUSA-N 2 2 398.507 3.626 20 0 GHADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569482031 898700674 /nfs/dbraw/zinc/70/06/74/898700674.db2.gz XFINJIUARLIOCG-YSSFQJQWSA-N 2 2 389.902 3.597 20 0 GHADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569482031 898700683 /nfs/dbraw/zinc/70/06/83/898700683.db2.gz XFINJIUARLIOCG-YSSFQJQWSA-N 2 2 389.902 3.597 20 0 GHADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000569929676 899029016 /nfs/dbraw/zinc/02/90/16/899029016.db2.gz UYEAXKFCAOELRR-LSTHTHJFSA-N 2 2 389.902 3.597 20 0 GHADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000569929676 899029032 /nfs/dbraw/zinc/02/90/32/899029032.db2.gz UYEAXKFCAOELRR-LSTHTHJFSA-N 2 2 389.902 3.597 20 0 GHADLP C[C@@H]1C[C@H](C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000823684369 899185913 /nfs/dbraw/zinc/18/59/13/899185913.db2.gz UOUOGIUMRBHZHB-KZNAEPCWSA-N 2 2 378.561 3.923 20 0 GHADLP Cc1ccccc1-n1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)nn1 ZINC000571240675 899794985 /nfs/dbraw/zinc/79/49/85/899794985.db2.gz KEEJEADIKDUYOJ-UHFFFAOYSA-N 2 2 375.520 3.851 20 0 GHADLP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000333069228 899936044 /nfs/dbraw/zinc/93/60/44/899936044.db2.gz UQGGIUWUHGLGPU-QGZVFWFLSA-N 2 2 380.536 3.988 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)N[C@@H]1CCCc2ccccc21 ZINC000333083894 899947715 /nfs/dbraw/zinc/94/77/15/899947715.db2.gz XWEGCHLXYBYWIX-JOCHJYFZSA-N 2 2 392.547 3.593 20 0 GHADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000825140466 900002376 /nfs/dbraw/zinc/00/23/76/900002376.db2.gz JMUKQFHEGOWJTF-OAQYLSRUSA-N 2 2 376.508 3.572 20 0 GHADLP CCOc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1OC(F)F ZINC000121350228 900008378 /nfs/dbraw/zinc/00/83/78/900008378.db2.gz IODKEILHCBNFDD-UHFFFAOYSA-N 2 2 377.435 3.840 20 0 GHADLP COc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1C ZINC001137004926 900030009 /nfs/dbraw/zinc/03/00/09/900030009.db2.gz SDIAVJPTBUZZDZ-ILWGZMRPSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1C ZINC001137004926 900030022 /nfs/dbraw/zinc/03/00/22/900030022.db2.gz SDIAVJPTBUZZDZ-ILWGZMRPSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1C ZINC001137004926 900030032 /nfs/dbraw/zinc/03/00/32/900030032.db2.gz SDIAVJPTBUZZDZ-ILWGZMRPSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1C ZINC001137004926 900030040 /nfs/dbraw/zinc/03/00/40/900030040.db2.gz SDIAVJPTBUZZDZ-ILWGZMRPSA-N 2 2 380.536 3.526 20 0 GHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000134675427 900105882 /nfs/dbraw/zinc/10/58/82/900105882.db2.gz LXUDTYNQJVGCIU-MAUKXSAKSA-N 2 2 376.545 3.550 20 0 GHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000134675427 900105889 /nfs/dbraw/zinc/10/58/89/900105889.db2.gz LXUDTYNQJVGCIU-MAUKXSAKSA-N 2 2 376.545 3.550 20 0 GHADLP CC(C)(CO)[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000573590195 900569534 /nfs/dbraw/zinc/56/95/34/900569534.db2.gz FQFMADBMRKBLHA-DHIUTWEWSA-N 2 2 382.548 3.627 20 0 GHADLP CC(C)(CO)[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000573590195 900569539 /nfs/dbraw/zinc/56/95/39/900569539.db2.gz FQFMADBMRKBLHA-DHIUTWEWSA-N 2 2 382.548 3.627 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cn1 ZINC000886509011 901099639 /nfs/dbraw/zinc/09/96/39/901099639.db2.gz XLYWETFVTDLEHD-ZRBLBEILSA-N 3 2 387.531 3.718 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000886509011 901099654 /nfs/dbraw/zinc/09/96/54/901099654.db2.gz XLYWETFVTDLEHD-ZRBLBEILSA-N 3 2 387.531 3.718 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886664145 901213904 /nfs/dbraw/zinc/21/39/04/901213904.db2.gz CNMRSSUAUXWBIN-CQSZACIVSA-N 2 2 390.915 3.895 20 0 GHADLP Cc1[nH]c(C2CC[NH+](CC(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)CC2)[nH+]c1C ZINC000886664401 901214315 /nfs/dbraw/zinc/21/43/15/901214315.db2.gz LJFGWRVDEODZFY-HNNXBMFYSA-N 2 2 390.478 3.704 20 0 GHADLP CCc1cccc(C[NH+]2CCC([N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC001144328643 901776979 /nfs/dbraw/zinc/77/69/79/901776979.db2.gz BJQULOVCMLAJKX-FQEVSTJZSA-N 2 2 387.568 3.812 20 0 GHADLP CCc1cccc(C[NH+]2CCC([N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC001144328643 901777026 /nfs/dbraw/zinc/77/70/26/901777026.db2.gz BJQULOVCMLAJKX-FQEVSTJZSA-N 2 2 387.568 3.812 20 0 GHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000264142200 902872948 /nfs/dbraw/zinc/87/29/48/902872948.db2.gz OMJDDTIGQQJLSB-SFHVURJKSA-N 2 2 376.504 3.791 20 0 GHADLP Cc1c([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cnn1-c1cccc(Cl)c1 ZINC000577839700 903259582 /nfs/dbraw/zinc/25/95/82/903259582.db2.gz KGPYOHRGOREBBJ-HNNXBMFYSA-N 2 2 396.926 3.812 20 0 GHADLP CC[C@@H](C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C)[N@H+](C)Cc1ccccc1 ZINC000577967249 903395175 /nfs/dbraw/zinc/39/51/75/903395175.db2.gz WIDNGXCSXCXTCJ-QHCPKHFHSA-N 2 2 395.547 3.676 20 0 GHADLP CC[C@@H](C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C)[N@@H+](C)Cc1ccccc1 ZINC000577967249 903395187 /nfs/dbraw/zinc/39/51/87/903395187.db2.gz WIDNGXCSXCXTCJ-QHCPKHFHSA-N 2 2 395.547 3.676 20 0 GHADLP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001146291159 903488530 /nfs/dbraw/zinc/48/85/30/903488530.db2.gz NECCSBLGIRJGSH-ZYSHUDEJSA-N 2 2 395.950 3.680 20 0 GHADLP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001146291159 903488542 /nfs/dbraw/zinc/48/85/42/903488542.db2.gz NECCSBLGIRJGSH-ZYSHUDEJSA-N 2 2 395.950 3.680 20 0 GHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000265024964 903567640 /nfs/dbraw/zinc/56/76/40/903567640.db2.gz JOBCNQKZARVYCF-PZJWPPBQSA-N 2 2 380.536 3.658 20 0 GHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000265024964 903567647 /nfs/dbraw/zinc/56/76/47/903567647.db2.gz JOBCNQKZARVYCF-PZJWPPBQSA-N 2 2 380.536 3.658 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646687501 914775710 /nfs/dbraw/zinc/77/57/10/914775710.db2.gz NBPKLCXADWBGKF-JOCHJYFZSA-N 2 2 392.547 3.568 20 0 GHADLP CCN(C(=O)NCc1[nH+]cc(C)c(OC)c1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159843511 904211218 /nfs/dbraw/zinc/21/12/18/904211218.db2.gz HSXQSWASDJYMHE-FQEVSTJZSA-N 2 2 396.535 3.513 20 0 GHADLP CCN(C(=O)NCc1[nH+]cc(C)c(OC)c1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159843511 904211232 /nfs/dbraw/zinc/21/12/32/904211232.db2.gz HSXQSWASDJYMHE-FQEVSTJZSA-N 2 2 396.535 3.513 20 0 GHADLP Cc1cc(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc(C)[nH+]1 ZINC000579097519 904347547 /nfs/dbraw/zinc/34/75/47/904347547.db2.gz GZWUCCUOBIFOPV-QGZVFWFLSA-N 2 2 380.536 3.930 20 0 GHADLP Cc1cc(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc(C)[nH+]1 ZINC000579097519 904347567 /nfs/dbraw/zinc/34/75/67/904347567.db2.gz GZWUCCUOBIFOPV-QGZVFWFLSA-N 2 2 380.536 3.930 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)C2=O)cc1 ZINC000773019207 904378396 /nfs/dbraw/zinc/37/83/96/904378396.db2.gz XESIEVYPKRQFIJ-VJBMBRPKSA-N 2 2 377.532 3.601 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)C2=O)cc1 ZINC000773019207 904378411 /nfs/dbraw/zinc/37/84/11/904378411.db2.gz XESIEVYPKRQFIJ-VJBMBRPKSA-N 2 2 377.532 3.601 20 0 GHADLP Fc1cc2c(c(F)c1F)C[C@@H]([NH2+]CC1CCN(c3cccc[nH+]3)CC1)CC2 ZINC001171518202 904793458 /nfs/dbraw/zinc/79/34/58/904793458.db2.gz SUDFUVXUCLBLES-INIZCTEOSA-N 2 2 375.438 3.862 20 0 GHADLP CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001171786466 905047903 /nfs/dbraw/zinc/04/79/03/905047903.db2.gz YHARMEPXIAARDC-CVDCTZTESA-N 2 2 396.535 3.999 20 0 GHADLP CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001171786466 905047923 /nfs/dbraw/zinc/04/79/23/905047923.db2.gz YHARMEPXIAARDC-CVDCTZTESA-N 2 2 396.535 3.999 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC12CCC2 ZINC001171843920 905093339 /nfs/dbraw/zinc/09/33/39/905093339.db2.gz DXECFVKREJPBFF-PMACEKPBSA-N 2 2 385.552 3.694 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC12CCC2 ZINC001171843920 905093359 /nfs/dbraw/zinc/09/33/59/905093359.db2.gz DXECFVKREJPBFF-PMACEKPBSA-N 2 2 385.552 3.694 20 0 GHADLP CCN1CC[C@@]2(CCC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1=O ZINC001171978487 905227009 /nfs/dbraw/zinc/22/70/09/905227009.db2.gz DLRXMSHCWNWDNT-XUZZJYLKSA-N 2 2 383.580 3.764 20 0 GHADLP CCN1CC[C@@]2(CCC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1=O ZINC001171978487 905227024 /nfs/dbraw/zinc/22/70/24/905227024.db2.gz DLRXMSHCWNWDNT-XUZZJYLKSA-N 2 2 383.580 3.764 20 0 GHADLP CCN1CC[C@@]2(CCC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)C1=O ZINC001171978487 905227033 /nfs/dbraw/zinc/22/70/33/905227033.db2.gz DLRXMSHCWNWDNT-XUZZJYLKSA-N 2 2 383.580 3.764 20 0 GHADLP CCN1CC[C@@]2(CCC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)C1=O ZINC001171978487 905227050 /nfs/dbraw/zinc/22/70/50/905227050.db2.gz DLRXMSHCWNWDNT-XUZZJYLKSA-N 2 2 383.580 3.764 20 0 GHADLP CC[N@@H+](Cc1nccn1CC(F)(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395034 905265517 /nfs/dbraw/zinc/26/55/17/905265517.db2.gz PTZBBOUJYCQTPA-UHFFFAOYSA-N 2 2 381.446 3.579 20 0 GHADLP CC[N@H+](Cc1nccn1CC(F)(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395034 905265538 /nfs/dbraw/zinc/26/55/38/905265538.db2.gz PTZBBOUJYCQTPA-UHFFFAOYSA-N 2 2 381.446 3.579 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(OC(C)(C)C)cc3)CC2)CC1 ZINC000174467719 905278031 /nfs/dbraw/zinc/27/80/31/905278031.db2.gz ZGIFTQRDEPKWNC-UHFFFAOYSA-N 2 2 388.556 3.544 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC[NH+](Cc4ccncc4)CC2)C3)cc1 ZINC001172073809 905280510 /nfs/dbraw/zinc/28/05/10/905280510.db2.gz CIVSSORAVXCTPY-QEIWAGNOSA-N 2 2 390.575 3.785 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC[NH+](Cc4ccncc4)CC2)C3)cc1 ZINC001172073809 905280526 /nfs/dbraw/zinc/28/05/26/905280526.db2.gz CIVSSORAVXCTPY-QEIWAGNOSA-N 2 2 390.575 3.785 20 0 GHADLP Cc1[nH+]cn([C@@H]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)c1CSCC[NH3+] ZINC001172085984 905301080 /nfs/dbraw/zinc/30/10/80/905301080.db2.gz WQTSDDBKPHFATM-BJWYYQGGSA-N 2 2 394.585 3.877 20 0 GHADLP c1ccc(N([C@H]2COC3(C2)CC[NH2+]CC3)[C@H]2CSc3ccccc3C2)[nH+]c1 ZINC001172202167 905397930 /nfs/dbraw/zinc/39/79/30/905397930.db2.gz DBZKFOCYLFUYBK-RTBURBONSA-N 2 2 381.545 3.516 20 0 GHADLP COCCC[NH+]1CCC([NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC001172253501 905448737 /nfs/dbraw/zinc/44/87/37/905448737.db2.gz RVWSBFVKTWJSQK-UHFFFAOYSA-N 3 2 399.623 3.866 20 0 GHADLP CCCC[C@H]1C[C@H]([N@H+]2CCc3[nH+]ccn3CC2)CCN1C(=O)OC(C)(C)C ZINC001172645093 905708052 /nfs/dbraw/zinc/70/80/52/905708052.db2.gz CEWAJMURXDMOIF-MSOLQXFVSA-N 2 2 376.545 3.700 20 0 GHADLP CCCC[C@H]1C[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)CCN1C(=O)OC(C)(C)C ZINC001172645093 905708063 /nfs/dbraw/zinc/70/80/63/905708063.db2.gz CEWAJMURXDMOIF-MSOLQXFVSA-N 2 2 376.545 3.700 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@H]3Cc4ccc(Cl)cc4C3)CC2)cc1 ZINC001172715596 905762534 /nfs/dbraw/zinc/76/25/34/905762534.db2.gz HROWUSANRCAWOT-QFIPXVFZSA-N 2 2 398.934 3.848 20 0 GHADLP Cc1ccc2c(c1)C[C@H](N(c1cccc[nH+]1)[C@@H]1COC3(C1)CC[NH2+]CC3)CC2 ZINC001172831118 905861493 /nfs/dbraw/zinc/86/14/93/905861493.db2.gz FSTMZYMCWHGZRF-YADHBBJMSA-N 2 2 377.532 3.665 20 0 GHADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172867805 905890324 /nfs/dbraw/zinc/89/03/24/905890324.db2.gz QQEQVODDWITSEW-KFKAGJAMSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172867805 905890335 /nfs/dbraw/zinc/89/03/35/905890335.db2.gz QQEQVODDWITSEW-KFKAGJAMSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172867805 905890355 /nfs/dbraw/zinc/89/03/55/905890355.db2.gz QQEQVODDWITSEW-KFKAGJAMSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172867805 905891033 /nfs/dbraw/zinc/89/10/33/905891033.db2.gz QQEQVODDWITSEW-KFKAGJAMSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001172863698 905917729 /nfs/dbraw/zinc/91/77/29/905917729.db2.gz PNDUSRBUYMGPFF-CZTOGXCSSA-N 2 2 384.923 3.982 20 0 GHADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001172881035 905965857 /nfs/dbraw/zinc/96/58/57/905965857.db2.gz WHFQYPYXGAZLHB-XPGWFJOJSA-N 2 2 375.969 3.622 20 0 GHADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001172960679 906070797 /nfs/dbraw/zinc/07/07/97/906070797.db2.gz XMLPJLCTJSOQDQ-INIZCTEOSA-N 2 2 379.520 3.721 20 0 GHADLP CC[NH+](CC)C1CCC([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)CC1 ZINC001173109526 906195219 /nfs/dbraw/zinc/19/52/19/906195219.db2.gz CHFQXJVCTSOUTQ-HDYDNRTBSA-N 3 2 375.605 3.753 20 0 GHADLP CC[NH+](CC)C1CCC([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)CC1 ZINC001173109526 906195226 /nfs/dbraw/zinc/19/52/26/906195226.db2.gz CHFQXJVCTSOUTQ-HDYDNRTBSA-N 3 2 375.605 3.753 20 0 GHADLP CC[NH+](CC)C1CCC([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)CC1 ZINC001173109526 906195232 /nfs/dbraw/zinc/19/52/32/906195232.db2.gz CHFQXJVCTSOUTQ-HDYDNRTBSA-N 3 2 375.605 3.753 20 0 GHADLP CCCC[C@H](CC(C)C)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001173256286 906340693 /nfs/dbraw/zinc/34/06/93/906340693.db2.gz PCTXSUSCKWFXHW-VQTJNVASSA-N 2 2 375.605 3.612 20 0 GHADLP CCCC[C@H](CC(C)C)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001173256286 906340709 /nfs/dbraw/zinc/34/07/09/906340709.db2.gz PCTXSUSCKWFXHW-VQTJNVASSA-N 2 2 375.605 3.612 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3nccn3-c3ccccc3)CC2)cc1 ZINC000191210773 906751782 /nfs/dbraw/zinc/75/17/82/906751782.db2.gz YCHVILFBXPIZOI-UHFFFAOYSA-N 2 2 375.520 3.697 20 0 GHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629654929 906932966 /nfs/dbraw/zinc/93/29/66/906932966.db2.gz JUVLKEBXHJFFHG-KDOFPFPSSA-N 2 2 384.421 3.587 20 0 GHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629654929 906932980 /nfs/dbraw/zinc/93/29/80/906932980.db2.gz JUVLKEBXHJFFHG-KDOFPFPSSA-N 2 2 384.421 3.587 20 0 GHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629657210 906934741 /nfs/dbraw/zinc/93/47/41/906934741.db2.gz UXZFBLLDDBPQPL-UYAOXDASSA-N 2 2 394.485 3.816 20 0 GHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629657210 906934751 /nfs/dbraw/zinc/93/47/51/906934751.db2.gz UXZFBLLDDBPQPL-UYAOXDASSA-N 2 2 394.485 3.816 20 0 GHADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C12CCC2 ZINC001174572740 907090706 /nfs/dbraw/zinc/09/07/06/907090706.db2.gz AUZQBQMOJBCNFS-VXKWHMMOSA-N 2 2 385.596 3.915 20 0 GHADLP CCCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCc2ccccc21 ZINC000299479593 921362873 /nfs/dbraw/zinc/36/28/73/921362873.db2.gz BJXRZUULDOXTFM-HSZRJFAPSA-N 2 2 398.595 3.654 20 0 GHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000186748893 907979181 /nfs/dbraw/zinc/97/91/81/907979181.db2.gz PDVSIXCRBHUCBB-UHFFFAOYSA-N 2 2 399.379 3.572 20 0 GHADLP C[NH+](C)CCn1cc(Nc2cccc3c2[C@@H]2Cc4ccccc4C[N@@H+]2CC3)cn1 ZINC001176448284 908113829 /nfs/dbraw/zinc/11/38/29/908113829.db2.gz DGWRCVXEWJDAOV-QHCPKHFHSA-N 2 2 387.531 3.844 20 0 GHADLP C[NH+](C)CCn1cc(Nc2cccc3c2[C@@H]2Cc4ccccc4C[N@H+]2CC3)cn1 ZINC001176448284 908113838 /nfs/dbraw/zinc/11/38/38/908113838.db2.gz DGWRCVXEWJDAOV-QHCPKHFHSA-N 2 2 387.531 3.844 20 0 GHADLP C[C@@H]1CC[C@](CO)([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc21 ZINC001176933410 908308302 /nfs/dbraw/zinc/30/83/02/908308302.db2.gz WZUYGRMOBHZABC-PXDATVDWSA-N 2 2 393.575 3.573 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3ccccc3n2C(F)F)[C@H](C)C1 ZINC000189995409 908398230 /nfs/dbraw/zinc/39/82/30/908398230.db2.gz FTZJYTDHCPWKCQ-HZPDHXFCSA-N 2 2 380.483 3.658 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc3ccccc3n2C(F)F)[C@H](C)C1 ZINC000189995409 908398242 /nfs/dbraw/zinc/39/82/42/908398242.db2.gz FTZJYTDHCPWKCQ-HZPDHXFCSA-N 2 2 380.483 3.658 20 0 GHADLP CC[NH+](CC)[C@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)Cc1ccccc1 ZINC001177222893 908472257 /nfs/dbraw/zinc/47/22/57/908472257.db2.gz UAQCMGUXEDZVFH-QFIPXVFZSA-N 2 2 387.612 3.956 20 0 GHADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC001177295040 908499101 /nfs/dbraw/zinc/49/91/01/908499101.db2.gz XDCNFLIEQBCZQN-ROUUACIJSA-N 2 2 379.976 3.634 20 0 GHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(C(C)(C)C)s3)cc2)CC1 ZINC001177268293 908507728 /nfs/dbraw/zinc/50/77/28/908507728.db2.gz USDFZLJXKAVMMY-UHFFFAOYSA-N 2 2 385.577 3.723 20 0 GHADLP COc1cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc2ccccc21 ZINC001178233093 908968958 /nfs/dbraw/zinc/96/89/58/908968958.db2.gz YXHUZEMAMAFCJK-HXUWFJFHSA-N 2 2 376.504 3.996 20 0 GHADLP Cc1nn(-c2ccccc2F)cc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC001178859573 909287310 /nfs/dbraw/zinc/28/73/10/909287310.db2.gz ADMWZZPIACHSSN-UHFFFAOYSA-N 2 2 375.451 3.854 20 0 GHADLP CC[NH+]1CCN(c2ccc(NCc3ccc(-n4cc[nH+]c4)cc3)cc2F)CC1 ZINC001179425481 909534186 /nfs/dbraw/zinc/53/41/86/909534186.db2.gz HSWMCLHBDUKTOK-UHFFFAOYSA-N 2 2 379.483 3.765 20 0 GHADLP Fc1ccc(C(C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)c2ccc(F)cc2)cc1 ZINC001179666398 909657235 /nfs/dbraw/zinc/65/72/35/909657235.db2.gz QVPTZKBMXOUTIE-JOCHJYFZSA-N 2 2 386.486 3.940 20 0 GHADLP Fc1ccc(C(C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)c2ccc(F)cc2)cc1 ZINC001179666398 909657240 /nfs/dbraw/zinc/65/72/40/909657240.db2.gz QVPTZKBMXOUTIE-JOCHJYFZSA-N 2 2 386.486 3.940 20 0 GHADLP COCCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1OC ZINC000268776340 910009802 /nfs/dbraw/zinc/00/98/02/910009802.db2.gz ROCPXDBMGSFSDY-GOSISDBHSA-N 2 2 395.503 3.816 20 0 GHADLP Nc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000638305261 910109625 /nfs/dbraw/zinc/10/96/25/910109625.db2.gz SXIGAODCKZNVTM-UHFFFAOYSA-N 2 2 380.319 3.698 20 0 GHADLP OCCCCOc1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000639158546 910336132 /nfs/dbraw/zinc/33/61/32/910336132.db2.gz WDZINUIFIVSRPG-FQEVSTJZSA-N 2 2 383.536 3.750 20 0 GHADLP OCCCCOc1ccccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000639158546 910336144 /nfs/dbraw/zinc/33/61/44/910336144.db2.gz WDZINUIFIVSRPG-FQEVSTJZSA-N 2 2 383.536 3.750 20 0 GHADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270224648 910486146 /nfs/dbraw/zinc/48/61/46/910486146.db2.gz HQTFGWLRHXCLFM-KRWDZBQOSA-N 2 2 379.508 3.598 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)[C@H](C)C1 ZINC000639590037 910537087 /nfs/dbraw/zinc/53/70/87/910537087.db2.gz SKWLDVMTYVUCOF-BDXSIMOUSA-N 2 2 392.506 3.651 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)[C@H](C)C1 ZINC000639590037 910537099 /nfs/dbraw/zinc/53/70/99/910537099.db2.gz SKWLDVMTYVUCOF-BDXSIMOUSA-N 2 2 392.506 3.651 20 0 GHADLP c1cc([C@@H]2CCC[NH+]2CC(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)c2ccccc2)n[nH]1 ZINC000639616348 910563661 /nfs/dbraw/zinc/56/36/61/910563661.db2.gz FQLPKEFVMXLUAB-GOTSBHOMSA-N 2 2 390.535 3.891 20 0 GHADLP c1cc([C@@H]2CCC[NH+]2CC(C[N@H+]2CCC[C@H]2c2cc[nH]n2)c2ccccc2)n[nH]1 ZINC000639616348 910563673 /nfs/dbraw/zinc/56/36/73/910563673.db2.gz FQLPKEFVMXLUAB-GOTSBHOMSA-N 2 2 390.535 3.891 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(Br)c(F)c3)CC2)CC1 ZINC000270992935 910751331 /nfs/dbraw/zinc/75/13/31/910751331.db2.gz YFHXKSXVECVJRY-UHFFFAOYSA-N 2 2 398.364 3.579 20 0 GHADLP CO[C@@](C)(C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CC1 ZINC001181506612 910808156 /nfs/dbraw/zinc/80/81/56/910808156.db2.gz SUHPPPDXCKGWOT-KRWDZBQOSA-N 2 2 382.302 3.556 20 0 GHADLP CO[C@@](C)(C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CC1 ZINC001181506612 910808163 /nfs/dbraw/zinc/80/81/63/910808163.db2.gz SUHPPPDXCKGWOT-KRWDZBQOSA-N 2 2 382.302 3.556 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000271466985 910916005 /nfs/dbraw/zinc/91/60/05/910916005.db2.gz GWZIORHXGXATJQ-NTKDMRAZSA-N 2 2 395.547 3.965 20 0 GHADLP Cc1cccc(F)c1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000274105380 911224460 /nfs/dbraw/zinc/22/44/60/911224460.db2.gz KQZYKRRSYPHSTM-VQTJNVASSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cccc(F)c1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000274105380 911224468 /nfs/dbraw/zinc/22/44/68/911224468.db2.gz KQZYKRRSYPHSTM-VQTJNVASSA-N 2 2 390.547 3.935 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2)c1ccccc1Cl ZINC001182222946 911316825 /nfs/dbraw/zinc/31/68/25/911316825.db2.gz HDPPDVLBCBCESE-HXUWFJFHSA-N 2 2 389.971 3.667 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2)c1ccccc1Cl ZINC001182222946 911316845 /nfs/dbraw/zinc/31/68/45/911316845.db2.gz HDPPDVLBCBCESE-HXUWFJFHSA-N 2 2 389.971 3.667 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000290971149 914891897 /nfs/dbraw/zinc/89/18/97/914891897.db2.gz ONGCSGCDDYKVKB-FQEVSTJZSA-N 2 2 395.551 3.601 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000290971149 914891920 /nfs/dbraw/zinc/89/19/20/914891920.db2.gz ONGCSGCDDYKVKB-FQEVSTJZSA-N 2 2 395.551 3.601 20 0 GHADLP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000290971150 914892014 /nfs/dbraw/zinc/89/20/14/914892014.db2.gz ONGCSGCDDYKVKB-HXUWFJFHSA-N 2 2 395.551 3.601 20 0 GHADLP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000290971150 914892032 /nfs/dbraw/zinc/89/20/32/914892032.db2.gz ONGCSGCDDYKVKB-HXUWFJFHSA-N 2 2 395.551 3.601 20 0 GHADLP COc1ccc([C@H](CNC2CC[NH+](CCC(F)(F)F)CC2)[NH+]2CCCC2)cc1 ZINC000291037487 914930425 /nfs/dbraw/zinc/93/04/25/914930425.db2.gz FZSHMOQGYLOJBX-FQEVSTJZSA-N 2 2 399.501 3.839 20 0 GHADLP COc1ncncc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000647184483 915075004 /nfs/dbraw/zinc/07/50/04/915075004.db2.gz JYYKTIZGISVAHS-CRAIPNDOSA-N 2 2 394.441 3.677 20 0 GHADLP COc1ncncc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000647184483 915075024 /nfs/dbraw/zinc/07/50/24/915075024.db2.gz JYYKTIZGISVAHS-CRAIPNDOSA-N 2 2 394.441 3.677 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162052 915529040 /nfs/dbraw/zinc/52/90/40/915529040.db2.gz FFURACHNFOQGRH-BZSNNMDCSA-N 2 2 396.293 3.694 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162052 915529048 /nfs/dbraw/zinc/52/90/48/915529048.db2.gz FFURACHNFOQGRH-BZSNNMDCSA-N 2 2 396.293 3.694 20 0 GHADLP C[N@H+](Cc1cc2cc(Cl)cnc2o1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000648530471 915741340 /nfs/dbraw/zinc/74/13/40/915741340.db2.gz XLNZUJYYUNIDGU-OAQYLSRUSA-N 2 2 385.895 3.550 20 0 GHADLP C[N@@H+](Cc1cc2cc(Cl)cnc2o1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000648530471 915741351 /nfs/dbraw/zinc/74/13/51/915741351.db2.gz XLNZUJYYUNIDGU-OAQYLSRUSA-N 2 2 385.895 3.550 20 0 GHADLP C[NH+](Cc1cc2cc(Cl)cnc2o1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000648530471 915741364 /nfs/dbraw/zinc/74/13/64/915741364.db2.gz XLNZUJYYUNIDGU-OAQYLSRUSA-N 2 2 385.895 3.550 20 0 GHADLP C[NH+](Cc1cc2cc(Cl)cnc2o1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000648530471 915741375 /nfs/dbraw/zinc/74/13/75/915741375.db2.gz XLNZUJYYUNIDGU-OAQYLSRUSA-N 2 2 385.895 3.550 20 0 GHADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1ccc(C2CC[NH+](C)CC2)cc1 ZINC001188313617 915881214 /nfs/dbraw/zinc/88/12/14/915881214.db2.gz XJGCDHHZYWEMNU-UHFFFAOYSA-N 2 2 388.515 3.954 20 0 GHADLP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)C(=O)c2ccccc2-n2cc[nH+]c2)CC1 ZINC001190114637 917136461 /nfs/dbraw/zinc/13/64/61/917136461.db2.gz RAHFPHKDRZNQCW-WGSAOQKQSA-N 2 2 392.478 3.924 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1Cl ZINC000651052809 917397359 /nfs/dbraw/zinc/39/73/59/917397359.db2.gz ZLRZEWNIINUYAP-LJQANCHMSA-N 2 2 388.943 3.615 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)Cc3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000651114117 917441104 /nfs/dbraw/zinc/44/11/04/917441104.db2.gz OJMPQUWWFQTSFJ-RTBURBONSA-N 2 2 394.563 3.556 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651118594 917445574 /nfs/dbraw/zinc/44/55/74/917445574.db2.gz YITKANPJGNROLP-KDURUIRLSA-N 2 2 394.563 3.556 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651118594 917445579 /nfs/dbraw/zinc/44/55/79/917445579.db2.gz YITKANPJGNROLP-KDURUIRLSA-N 2 2 394.563 3.556 20 0 GHADLP CCC1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000651571543 917666200 /nfs/dbraw/zinc/66/62/00/917666200.db2.gz OXGHAZOZZHEOKZ-UHFFFAOYSA-N 2 2 394.563 3.571 20 0 GHADLP Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])cs2)cc1 ZINC000652354812 917879318 /nfs/dbraw/zinc/87/93/18/917879318.db2.gz JBOOHGXATKNNCV-LPHOPBHVSA-N 2 2 386.565 3.582 20 0 GHADLP Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])cs2)cc1 ZINC000652354812 917879326 /nfs/dbraw/zinc/87/93/26/917879326.db2.gz JBOOHGXATKNNCV-LPHOPBHVSA-N 2 2 386.565 3.582 20 0 GHADLP Cc1cc(C)c(CNC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000652521750 917920138 /nfs/dbraw/zinc/92/01/38/917920138.db2.gz XZJBYUDYMKMOJV-MDNUFGMLSA-N 2 2 392.547 3.798 20 0 GHADLP Cc1cc(C)c(CNC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000652521750 917920145 /nfs/dbraw/zinc/92/01/45/917920145.db2.gz XZJBYUDYMKMOJV-MDNUFGMLSA-N 2 2 392.547 3.798 20 0 GHADLP CCc1ccc2[nH+]ccc(N3CCC[N@H+](Cc4nc([C@H](C)OC)no4)CC3)c2c1 ZINC000297481576 919366990 /nfs/dbraw/zinc/36/69/90/919366990.db2.gz LSJHJEUKJAGALB-INIZCTEOSA-N 2 2 395.507 3.600 20 0 GHADLP CCc1ccc2[nH+]ccc(N3CCC[N@@H+](Cc4nc([C@H](C)OC)no4)CC3)c2c1 ZINC000297481576 919367008 /nfs/dbraw/zinc/36/70/08/919367008.db2.gz LSJHJEUKJAGALB-INIZCTEOSA-N 2 2 395.507 3.600 20 0 GHADLP COc1ccccc1-c1csc(C2CC[NH+](CCc3c[nH+]cn3C)CC2)n1 ZINC000297732341 919684066 /nfs/dbraw/zinc/68/40/66/919684066.db2.gz SNQQVAWVAZWABT-UHFFFAOYSA-N 2 2 382.533 3.974 20 0 GHADLP O[C@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1Cl ZINC000800403375 920034631 /nfs/dbraw/zinc/03/46/31/920034631.db2.gz KFCWNAMHPRLCFW-IFXJQAMLSA-N 2 2 377.891 3.925 20 0 GHADLP O[C@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1Cl ZINC000800403375 920034646 /nfs/dbraw/zinc/03/46/46/920034646.db2.gz KFCWNAMHPRLCFW-IFXJQAMLSA-N 2 2 377.891 3.925 20 0 GHADLP CN(CCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(=O)OC(C)(C)C ZINC000800403981 920036040 /nfs/dbraw/zinc/03/60/40/920036040.db2.gz DYDMEGDLFRLEHT-KRWDZBQOSA-N 2 2 376.545 3.656 20 0 GHADLP CN(CCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(=O)OC(C)(C)C ZINC000800403981 920036083 /nfs/dbraw/zinc/03/60/83/920036083.db2.gz DYDMEGDLFRLEHT-KRWDZBQOSA-N 2 2 376.545 3.656 20 0 GHADLP Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)C2=O)cc1 ZINC000800406515 920040384 /nfs/dbraw/zinc/04/03/84/920040384.db2.gz ZGZSVSRGCHCCQG-RXVVDRJESA-N 2 2 378.520 3.513 20 0 GHADLP Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)C2=O)cc1 ZINC000800406515 920040401 /nfs/dbraw/zinc/04/04/01/920040401.db2.gz ZGZSVSRGCHCCQG-RXVVDRJESA-N 2 2 378.520 3.513 20 0 GHADLP [NH3+]CCCC[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(F)cc1F ZINC000902320723 922086386 /nfs/dbraw/zinc/08/63/86/922086386.db2.gz RTEJIFYNBKEQGF-HNNXBMFYSA-N 2 2 376.373 3.684 20 0 GHADLP c1nc([C@H]2CCCO2)sc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000367959894 922392267 /nfs/dbraw/zinc/39/22/67/922392267.db2.gz HJCXNHNRSXWISS-SVFBPWRDSA-N 2 2 383.561 3.949 20 0 GHADLP c1nc([C@H]2CCCO2)sc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000367959894 922392295 /nfs/dbraw/zinc/39/22/95/922392295.db2.gz HJCXNHNRSXWISS-SVFBPWRDSA-N 2 2 383.561 3.949 20 0 GHADLP c1nc([C@H]2CCCO2)sc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000367959894 922392310 /nfs/dbraw/zinc/39/23/10/922392310.db2.gz HJCXNHNRSXWISS-SVFBPWRDSA-N 2 2 383.561 3.949 20 0 GHADLP c1nc([C@H]2CCCO2)sc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000367959894 922392327 /nfs/dbraw/zinc/39/23/27/922392327.db2.gz HJCXNHNRSXWISS-SVFBPWRDSA-N 2 2 383.561 3.949 20 0 GHADLP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000367959891 922393050 /nfs/dbraw/zinc/39/30/50/922393050.db2.gz HJCXNHNRSXWISS-DYXWJJEUSA-N 2 2 383.561 3.949 20 0 GHADLP c1nc([C@@H]2CCCO2)sc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000367959891 922393067 /nfs/dbraw/zinc/39/30/67/922393067.db2.gz HJCXNHNRSXWISS-DYXWJJEUSA-N 2 2 383.561 3.949 20 0 GHADLP c1nc([C@@H]2CCCO2)sc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000367959891 922393078 /nfs/dbraw/zinc/39/30/78/922393078.db2.gz HJCXNHNRSXWISS-DYXWJJEUSA-N 2 2 383.561 3.949 20 0 GHADLP c1nc([C@@H]2CCCO2)sc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000367959891 922393092 /nfs/dbraw/zinc/39/30/92/922393092.db2.gz HJCXNHNRSXWISS-DYXWJJEUSA-N 2 2 383.561 3.949 20 0 GHADLP C[N@@H+]1CCC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090824 923104533 /nfs/dbraw/zinc/10/45/33/923104533.db2.gz GQSQPAMBPVQAJC-DNVCBOLYSA-N 2 2 394.441 3.560 20 0 GHADLP C[N@H+]1CCC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090824 923104540 /nfs/dbraw/zinc/10/45/40/923104540.db2.gz GQSQPAMBPVQAJC-DNVCBOLYSA-N 2 2 394.441 3.560 20 0 GHADLP C[N@@H+]1CCC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090824 923104547 /nfs/dbraw/zinc/10/45/47/923104547.db2.gz GQSQPAMBPVQAJC-DNVCBOLYSA-N 2 2 394.441 3.560 20 0 GHADLP C[N@H+]1CCC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090824 923104554 /nfs/dbraw/zinc/10/45/54/923104554.db2.gz GQSQPAMBPVQAJC-DNVCBOLYSA-N 2 2 394.441 3.560 20 0 GHADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2nc(-c3cc(F)c(F)c(F)c3)no2)CCC1 ZINC000903812624 923308774 /nfs/dbraw/zinc/30/87/74/923308774.db2.gz UVOSBXDBPROMEI-HNNXBMFYSA-N 2 2 380.414 3.637 20 0 GHADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2nc(-c3cc(F)c(F)c(F)c3)no2)CCC1 ZINC000903812624 923308784 /nfs/dbraw/zinc/30/87/84/923308784.db2.gz UVOSBXDBPROMEI-HNNXBMFYSA-N 2 2 380.414 3.637 20 0 GHADLP Cc1cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cc(C)c1I ZINC001206572933 923898206 /nfs/dbraw/zinc/89/82/06/923898206.db2.gz HZVQQMWDESSKPH-QGZVFWFLSA-N 2 2 386.321 3.859 20 0 GHADLP Cc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc(C)c1I ZINC001206572933 923898218 /nfs/dbraw/zinc/89/82/18/923898218.db2.gz HZVQQMWDESSKPH-QGZVFWFLSA-N 2 2 386.321 3.859 20 0 GHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C[C@@H]1C ZINC000676759751 924064316 /nfs/dbraw/zinc/06/43/16/924064316.db2.gz YPVXOIUBRGYJPZ-JAXLGGSGSA-N 2 2 397.567 3.755 20 0 GHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C[C@@H]1C ZINC000676759751 924064327 /nfs/dbraw/zinc/06/43/27/924064327.db2.gz YPVXOIUBRGYJPZ-JAXLGGSGSA-N 2 2 397.567 3.755 20 0 GHADLP C[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000370408635 924078280 /nfs/dbraw/zinc/07/82/80/924078280.db2.gz XCFXVCQCOIQYJU-QTJGBDASSA-N 2 2 395.547 3.764 20 0 GHADLP C[N@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000370408635 924078304 /nfs/dbraw/zinc/07/83/04/924078304.db2.gz XCFXVCQCOIQYJU-QTJGBDASSA-N 2 2 395.547 3.764 20 0 GHADLP C[NH+](Cc1ccc(OC[C@H]2CCCO2)cc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000370408635 924078315 /nfs/dbraw/zinc/07/83/15/924078315.db2.gz XCFXVCQCOIQYJU-QTJGBDASSA-N 2 2 395.547 3.764 20 0 GHADLP C[NH+](Cc1ccc(OC[C@H]2CCCO2)cc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000370408635 924078328 /nfs/dbraw/zinc/07/83/28/924078328.db2.gz XCFXVCQCOIQYJU-QTJGBDASSA-N 2 2 395.547 3.764 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000677805432 924504263 /nfs/dbraw/zinc/50/42/63/924504263.db2.gz KWRAEOUMHVCLMD-HSZRJFAPSA-N 2 2 391.559 3.934 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000677805432 924504266 /nfs/dbraw/zinc/50/42/66/924504266.db2.gz KWRAEOUMHVCLMD-HSZRJFAPSA-N 2 2 391.559 3.934 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000677804577 924504339 /nfs/dbraw/zinc/50/43/39/924504339.db2.gz HDLCLMPXMJSFFP-NQIIRXRSSA-N 2 2 375.520 3.971 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000677804577 924504344 /nfs/dbraw/zinc/50/43/44/924504344.db2.gz HDLCLMPXMJSFFP-NQIIRXRSSA-N 2 2 375.520 3.971 20 0 GHADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cccc(OCc4ccc(F)cc4)c3)CC2)C1 ZINC000678258969 924692650 /nfs/dbraw/zinc/69/26/50/924692650.db2.gz TXOBZOUWHSXLCQ-HSZRJFAPSA-N 2 2 397.538 3.617 20 0 GHADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cccc(OCc4ccc(F)cc4)c3)CC2)C1 ZINC000678258969 924692658 /nfs/dbraw/zinc/69/26/58/924692658.db2.gz TXOBZOUWHSXLCQ-HSZRJFAPSA-N 2 2 397.538 3.617 20 0 GHADLP COc1cccc([C@@H]2[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCN2C2CC2)c1 ZINC000679361207 925109168 /nfs/dbraw/zinc/10/91/68/925109168.db2.gz MVUXAZKYFYDNMQ-DNQXCXABSA-N 2 2 388.515 3.949 20 0 GHADLP CN(C(=O)[C@H]1CCCC(F)(F)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000409960754 925187047 /nfs/dbraw/zinc/18/70/47/925187047.db2.gz YASXXXLFXKWZIR-QXAKKESOSA-N 2 2 385.543 3.608 20 0 GHADLP CN(C(=O)[C@H]1CCCC(F)(F)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000409960754 925187051 /nfs/dbraw/zinc/18/70/51/925187051.db2.gz YASXXXLFXKWZIR-QXAKKESOSA-N 2 2 385.543 3.608 20 0 GHADLP Cc1ccncc1[C@@H](C)[NH2+]CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000679940768 925313534 /nfs/dbraw/zinc/31/35/34/925313534.db2.gz BTPNTTPGNHXWRR-HXUWFJFHSA-N 2 2 394.563 3.508 20 0 GHADLP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3nc(C(F)(F)F)cs3)C2)nc(C)[nH+]1 ZINC000681053739 925708477 /nfs/dbraw/zinc/70/84/77/925708477.db2.gz AJFNDESENRPLON-AAEUAGOBSA-N 2 2 385.459 3.888 20 0 GHADLP Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3nc(C(F)(F)F)cs3)C2)nc(C)[nH+]1 ZINC000681053747 925708706 /nfs/dbraw/zinc/70/87/06/925708706.db2.gz AJFNDESENRPLON-DGCLKSJQSA-N 2 2 385.459 3.888 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C34CC5(C)CC(C)(CC(C)(C5)C3)C4)C2)CC1 ZINC000681231236 925768095 /nfs/dbraw/zinc/76/80/95/925768095.db2.gz FHMRMGOKBBCVPC-ZTZVXNSDSA-N 2 2 387.612 3.658 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C34CC5(C)CC(C)(CC(C)(C5)C3)C4)C2)CC1 ZINC000681231236 925768103 /nfs/dbraw/zinc/76/81/03/925768103.db2.gz FHMRMGOKBBCVPC-ZTZVXNSDSA-N 2 2 387.612 3.658 20 0 GHADLP Cc1ccc(N2CCC(C(=O)N[C@H](C)[C@H](c3ccccc3C)[NH+](C)C)CC2)[nH+]c1 ZINC000682396076 926098318 /nfs/dbraw/zinc/09/83/18/926098318.db2.gz MJNFKVVCIGHQLW-AUSIDOKSSA-N 2 2 394.563 3.722 20 0 GHADLP Brc1cccc([C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C2CCOCC2)c1 ZINC000682436648 926115282 /nfs/dbraw/zinc/11/52/82/926115282.db2.gz KNONKVXQKRWQRB-WOJBJXKFSA-N 2 2 393.369 3.991 20 0 GHADLP Brc1cccc([C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C2CCOCC2)c1 ZINC000682436648 926115287 /nfs/dbraw/zinc/11/52/87/926115287.db2.gz KNONKVXQKRWQRB-WOJBJXKFSA-N 2 2 393.369 3.991 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccc(OC)cc3)no2)[C@@H](C)C1 ZINC000682535936 926156238 /nfs/dbraw/zinc/15/62/38/926156238.db2.gz MGDFHZNZTXJFFW-LAUBAEHRSA-N 2 2 387.524 3.577 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccc(OC)cc3)no2)[C@@H](C)C1 ZINC000682535936 926156242 /nfs/dbraw/zinc/15/62/42/926156242.db2.gz MGDFHZNZTXJFFW-LAUBAEHRSA-N 2 2 387.524 3.577 20 0 GHADLP CCOc1cc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccc1OC ZINC000373485753 926183146 /nfs/dbraw/zinc/18/31/46/926183146.db2.gz PCYQGRKXVGEODK-UHFFFAOYSA-N 2 2 386.458 3.989 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000382527799 926353646 /nfs/dbraw/zinc/35/36/46/926353646.db2.gz IAIFBDNCKXHVOW-CEXWTWQISA-N 2 2 376.545 3.821 20 0 GHADLP O=C1[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCN1c1cccc(Cl)c1 ZINC000749879319 927326941 /nfs/dbraw/zinc/32/69/41/927326941.db2.gz MSMMFSZBYMEJCJ-OAQYLSRUSA-N 2 2 383.923 3.700 20 0 GHADLP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000467180984 928795349 /nfs/dbraw/zinc/79/53/49/928795349.db2.gz LQDDKDLDPKIFRT-KRWDZBQOSA-N 2 2 395.975 3.798 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC2(C[NH+](C)C)CCCC2)c(C)c1 ZINC000546140091 929894520 /nfs/dbraw/zinc/89/45/20/929894520.db2.gz FMPHYYIROGTWJG-OAQYLSRUSA-N 2 2 397.567 3.662 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2=O)cc1 ZINC000781518683 930876561 /nfs/dbraw/zinc/87/65/61/930876561.db2.gz RBDUDSXVWAJHKQ-RRPUWOKSSA-N 2 2 377.532 3.743 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2=O)cc1 ZINC000781518683 930876567 /nfs/dbraw/zinc/87/65/67/930876567.db2.gz RBDUDSXVWAJHKQ-RRPUWOKSSA-N 2 2 377.532 3.743 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2nc(C3CCCCC3)cs2)CC1 ZINC000547329734 930922339 /nfs/dbraw/zinc/92/23/39/930922339.db2.gz LZNZLYOVMKEURX-UHFFFAOYSA-N 2 2 393.597 3.741 20 0 GHADLP C[N@@H+]1CCCN(c2ccc(-c3noc([C@@H]4C[C@H]4c4c[nH]c[nH+]4)n3)cc2Cl)CC1 ZINC000923920908 931155552 /nfs/dbraw/zinc/15/55/52/931155552.db2.gz KLRNQGYJPRLNCX-HUUCEWRRSA-N 2 2 398.898 3.526 20 0 GHADLP C[N@H+]1CCCN(c2ccc(-c3noc([C@@H]4C[C@H]4c4c[nH]c[nH+]4)n3)cc2Cl)CC1 ZINC000923920908 931155558 /nfs/dbraw/zinc/15/55/58/931155558.db2.gz KLRNQGYJPRLNCX-HUUCEWRRSA-N 2 2 398.898 3.526 20 0 GHADLP C[N@H+](CCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)Cc1ccccc1 ZINC000557457741 931442502 /nfs/dbraw/zinc/44/25/02/931442502.db2.gz RGVJSUXPYBTNMD-NRFANRHFSA-N 2 2 376.504 3.570 20 0 GHADLP C[N@@H+](CCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)Cc1ccccc1 ZINC000557457741 931442509 /nfs/dbraw/zinc/44/25/09/931442509.db2.gz RGVJSUXPYBTNMD-NRFANRHFSA-N 2 2 376.504 3.570 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccnn3C3CCC3)cc2)CC1 ZINC000924692478 931477578 /nfs/dbraw/zinc/47/75/78/931477578.db2.gz NNGCYCXHTODOHR-IBGZPJMESA-N 2 2 381.568 3.596 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCN(OCc3ccccc3)CC2)CC1 ZINC000925589569 931832719 /nfs/dbraw/zinc/83/27/19/931832719.db2.gz AEASTLDYPHPNGU-HXUWFJFHSA-N 2 2 394.563 3.793 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CCOCC1)c1ccccc1 ZINC000558243552 931899913 /nfs/dbraw/zinc/89/99/13/931899913.db2.gz FIVAXPYCHYPJGX-CGTJXYLNSA-N 2 2 386.458 3.586 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(OC(F)F)cc1OC(F)F ZINC000925779790 931901221 /nfs/dbraw/zinc/90/12/21/931901221.db2.gz PKRHUHYQJDBXPS-VHSXEESVSA-N 2 2 386.336 3.785 20 0 GHADLP Cc1ccc([C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)c2cccnc2)cc1 ZINC000926436099 932180642 /nfs/dbraw/zinc/18/06/42/932180642.db2.gz VBIHWMYHDGKCHX-DEOSSOPVSA-N 2 2 390.531 3.995 20 0 GHADLP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cc(-c2ccccc2)no1 ZINC000926436626 932181608 /nfs/dbraw/zinc/18/16/08/932181608.db2.gz YHNYFPZSFFPVNH-QGZVFWFLSA-N 2 2 380.492 3.918 20 0 GHADLP Cc1ccc([C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)c2cccnc2)cc1 ZINC000926436101 932181729 /nfs/dbraw/zinc/18/17/29/932181729.db2.gz VBIHWMYHDGKCHX-XMMPIXPASA-N 2 2 390.531 3.995 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3ccnn3C3CCC3)CC2)cc1 ZINC000926529754 932218432 /nfs/dbraw/zinc/21/84/32/932218432.db2.gz XTZFSAIWTPZDBG-KRWDZBQOSA-N 2 2 395.551 3.882 20 0 GHADLP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000926867028 932331004 /nfs/dbraw/zinc/33/10/04/932331004.db2.gz ZUHZCRMUMAPNGB-HVETUWLQSA-N 2 2 380.467 3.619 20 0 GHADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000559245249 932546480 /nfs/dbraw/zinc/54/64/80/932546480.db2.gz VVQMTJMEMQTLQI-UGKGYDQZSA-N 2 2 388.552 3.511 20 0 GHADLP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2COCc3cccc(Cl)c32)CC1 ZINC000798181884 932553402 /nfs/dbraw/zinc/55/34/02/932553402.db2.gz BJZHGZZISLTBEY-NRFANRHFSA-N 2 2 386.923 3.658 20 0 GHADLP C[C@@]1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000798529863 932693633 /nfs/dbraw/zinc/69/36/33/932693633.db2.gz YEVILZUZCKOQFM-DEOSSOPVSA-N 2 2 388.515 3.573 20 0 GHADLP C[C@@]1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798529863 932693637 /nfs/dbraw/zinc/69/36/37/932693637.db2.gz YEVILZUZCKOQFM-DEOSSOPVSA-N 2 2 388.515 3.573 20 0 GHADLP COc1ncc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1Cl ZINC000560249093 933154714 /nfs/dbraw/zinc/15/47/14/933154714.db2.gz FVHOXXBUTCJQGN-QGZVFWFLSA-N 2 2 388.943 3.607 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)s1 ZINC000560482233 933282713 /nfs/dbraw/zinc/28/27/13/933282713.db2.gz PHIUOQWRUHPXCE-GOSISDBHSA-N 2 2 394.544 3.836 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)s1 ZINC000560482233 933282720 /nfs/dbraw/zinc/28/27/20/933282720.db2.gz PHIUOQWRUHPXCE-GOSISDBHSA-N 2 2 394.544 3.836 20 0 GHADLP Clc1ccc(COc2ccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cc2)cc1 ZINC001116018497 933285907 /nfs/dbraw/zinc/28/59/07/933285907.db2.gz FBPCLENYGXNTPD-RBBKRZOGSA-N 2 2 386.923 3.872 20 0 GHADLP Clc1ccc(COc2ccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)cc2)cc1 ZINC001116018497 933285919 /nfs/dbraw/zinc/28/59/19/933285919.db2.gz FBPCLENYGXNTPD-RBBKRZOGSA-N 2 2 386.923 3.872 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl ZINC001116326268 933482934 /nfs/dbraw/zinc/48/29/34/933482934.db2.gz ZRYLTRUQJSRKML-UHFFFAOYSA-N 2 2 398.854 3.575 20 0 GHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(C)[nH+]c3N(C)C)CC2)cc1 ZINC001116352680 933503455 /nfs/dbraw/zinc/50/34/55/933503455.db2.gz SHSJCFDCRVULKO-UHFFFAOYSA-N 2 2 381.524 3.504 20 0 GHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(C)[nH+]c3N(C)C)CC2)cc1 ZINC001116352680 933503462 /nfs/dbraw/zinc/50/34/62/933503462.db2.gz SHSJCFDCRVULKO-UHFFFAOYSA-N 2 2 381.524 3.504 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000560955158 933726185 /nfs/dbraw/zinc/72/61/85/933726185.db2.gz QFTCRWIDWCJZDX-NFBKMPQASA-N 2 2 388.515 3.994 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000560955158 933726188 /nfs/dbraw/zinc/72/61/88/933726188.db2.gz QFTCRWIDWCJZDX-NFBKMPQASA-N 2 2 388.515 3.994 20 0 GHADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)cc1 ZINC001116745043 933732544 /nfs/dbraw/zinc/73/25/44/933732544.db2.gz ZJXBWFRQEBEFBH-JOCHJYFZSA-N 2 2 380.536 3.917 20 0 GHADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)cc1 ZINC001116745043 933732552 /nfs/dbraw/zinc/73/25/52/933732552.db2.gz ZJXBWFRQEBEFBH-JOCHJYFZSA-N 2 2 380.536 3.917 20 0 GHADLP C[NH+](C)CCCOc1ccc(NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000930243287 933918278 /nfs/dbraw/zinc/91/82/78/933918278.db2.gz IURXFUSHZUBBPF-UHFFFAOYSA-N 2 2 397.523 3.521 20 0 GHADLP C[NH2+]CCC1CC[NH+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)CC1 ZINC001118260967 934121548 /nfs/dbraw/zinc/12/15/48/934121548.db2.gz LEUXBNHEPQBCRL-UHFFFAOYSA-N 2 2 391.865 3.557 20 0 GHADLP CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001121706078 934743727 /nfs/dbraw/zinc/74/37/27/934743727.db2.gz CNYXBXNLUCONID-CTNGQTDRSA-N 2 2 396.583 3.556 20 0 GHADLP CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001121706078 934743730 /nfs/dbraw/zinc/74/37/30/934743730.db2.gz CNYXBXNLUCONID-CTNGQTDRSA-N 2 2 396.583 3.556 20 0 GHADLP C[C@H](c1cccc(NC(=O)[C@H]2CCCCC23CC[NH2+]CC3)c1)[NH+]1CCOCC1 ZINC001121921022 934788727 /nfs/dbraw/zinc/78/87/27/934788727.db2.gz NJULNSBQFKTTLB-WIYYLYMNSA-N 2 2 385.552 3.578 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000829661754 935841400 /nfs/dbraw/zinc/84/14/00/935841400.db2.gz JDLRJKXEWMHDFD-PXNSSMCTSA-N 2 2 384.524 3.916 20 0 GHADLP C[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001575510702 949126303 /nfs/dbraw/zinc/12/63/03/949126303.db2.gz GZYHJIHGZLSQOA-YJBOKZPZSA-N 2 2 379.512 3.759 20 0 GHADLP C[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001575510702 949126312 /nfs/dbraw/zinc/12/63/12/949126312.db2.gz GZYHJIHGZLSQOA-YJBOKZPZSA-N 2 2 379.512 3.759 20 0 GHADLP CC(C)C[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468020362 1015152301 /nfs/dbraw/zinc/15/23/01/1015152301.db2.gz WWFOQBRKPRXTEP-PZJWPPBQSA-N 2 2 397.567 3.995 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000468882785 1016160234 /nfs/dbraw/zinc/16/02/34/1016160234.db2.gz HEVPVTIPIDVTSO-HXUWFJFHSA-N 2 2 380.536 3.909 20 0 GHADLP C[NH+](C)Cc1cc(-c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)ccc1F ZINC000545752820 1016337989 /nfs/dbraw/zinc/33/79/89/1016337989.db2.gz XJDOZCYHJRAWLH-UHFFFAOYSA-N 2 2 377.423 3.849 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000469765838 1016618227 /nfs/dbraw/zinc/61/82/27/1016618227.db2.gz CDYZEFKGULLXGE-RKVPGOIHSA-N 2 2 399.938 3.533 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000469765838 1016618231 /nfs/dbraw/zinc/61/82/31/1016618231.db2.gz CDYZEFKGULLXGE-RKVPGOIHSA-N 2 2 399.938 3.533 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC2(c3ccc(F)cc3)CCC(F)(F)CC2)cc1 ZINC001221217004 1032338134 /nfs/dbraw/zinc/33/81/34/1032338134.db2.gz SAIDQIZETWITNG-GOSISDBHSA-N 2 2 391.437 3.619 20 0 GHADLP CCC1([NH+]2CCCCC2)CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001221581672 1032469526 /nfs/dbraw/zinc/46/95/26/1032469526.db2.gz CVMJFFBBRYZLFE-UHFFFAOYSA-N 2 2 395.551 3.812 20 0 GHADLP Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc(C(C)C)[nH+]1 ZINC001155361472 1032519258 /nfs/dbraw/zinc/51/92/58/1032519258.db2.gz MWOULQXHJAURAL-NRFANRHFSA-N 3 2 393.579 3.822 20 0 GHADLP Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc(C(C)C)[nH+]1 ZINC001155361472 1032519262 /nfs/dbraw/zinc/51/92/62/1032519262.db2.gz MWOULQXHJAURAL-NRFANRHFSA-N 3 2 393.579 3.822 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC001204208997 1032659046 /nfs/dbraw/zinc/65/90/46/1032659046.db2.gz MZNZEEBUVUJWGA-HXUWFJFHSA-N 2 2 387.474 3.615 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC001204208997 1032659057 /nfs/dbraw/zinc/65/90/57/1032659057.db2.gz MZNZEEBUVUJWGA-HXUWFJFHSA-N 2 2 387.474 3.615 20 0 GHADLP Cc1ccc([C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000925844790 1017159747 /nfs/dbraw/zinc/15/97/47/1017159747.db2.gz IWLHODUCGFSHEF-XPWALMASSA-N 2 2 398.572 3.610 20 0 GHADLP O=C(Nc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1)c1ccncc1 ZINC000562747934 1018597845 /nfs/dbraw/zinc/59/78/45/1018597845.db2.gz VBIHGDVIHAKRKC-JTHBVZDNSA-N 2 2 386.499 3.917 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000563331013 1018904692 /nfs/dbraw/zinc/90/46/92/1018904692.db2.gz ZANJTFBIJVIYJC-NRFANRHFSA-N 2 2 397.588 3.523 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000563331013 1018904696 /nfs/dbraw/zinc/90/46/96/1018904696.db2.gz ZANJTFBIJVIYJC-NRFANRHFSA-N 2 2 397.588 3.523 20 0 GHADLP FC(F)(F)Oc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204414531 1032841650 /nfs/dbraw/zinc/84/16/50/1032841650.db2.gz PIWLVGBXDWARCF-CALCHBBNSA-N 2 2 377.410 3.544 20 0 GHADLP FC(F)(F)Oc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204414531 1032841669 /nfs/dbraw/zinc/84/16/69/1032841669.db2.gz PIWLVGBXDWARCF-CALCHBBNSA-N 2 2 377.410 3.544 20 0 GHADLP FC(F)(F)Oc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204414531 1032841687 /nfs/dbraw/zinc/84/16/87/1032841687.db2.gz PIWLVGBXDWARCF-CALCHBBNSA-N 2 2 377.410 3.544 20 0 GHADLP FC(F)(F)Oc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204414531 1032841698 /nfs/dbraw/zinc/84/16/98/1032841698.db2.gz PIWLVGBXDWARCF-CALCHBBNSA-N 2 2 377.410 3.544 20 0 GHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)CCC3)cc1 ZINC000576934812 1020090659 /nfs/dbraw/zinc/09/06/59/1020090659.db2.gz HFMJSHVQLZTSJI-YXJHDRRASA-N 2 2 387.549 3.553 20 0 GHADLP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647815137 1021150953 /nfs/dbraw/zinc/15/09/53/1021150953.db2.gz QNFTYGKFUWQOHU-QFIPXVFZSA-N 2 2 383.580 3.864 20 0 GHADLP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647815137 1021150957 /nfs/dbraw/zinc/15/09/57/1021150957.db2.gz QNFTYGKFUWQOHU-QFIPXVFZSA-N 2 2 383.580 3.864 20 0 GHADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834508155 1021233041 /nfs/dbraw/zinc/23/30/41/1021233041.db2.gz IUZNPCARWGQBLN-MSOLQXFVSA-N 2 2 376.545 3.530 20 0 GHADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc(-n3ccnn3)cc2)CC1 ZINC001137369725 1021982724 /nfs/dbraw/zinc/98/27/24/1021982724.db2.gz VAMIGSCLWHSGEI-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc(-n3ccnn3)cc2)CC1 ZINC001137369725 1021982726 /nfs/dbraw/zinc/98/27/26/1021982726.db2.gz VAMIGSCLWHSGEI-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001140800987 1022567922 /nfs/dbraw/zinc/56/79/22/1022567922.db2.gz CZNTYPJCGJPHGU-URXFXBBRSA-N 2 2 394.563 3.523 20 0 GHADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001140800987 1022567932 /nfs/dbraw/zinc/56/79/32/1022567932.db2.gz CZNTYPJCGJPHGU-URXFXBBRSA-N 2 2 394.563 3.523 20 0 GHADLP c1[nH]c2ccncc2c1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001140800987 1022567980 /nfs/dbraw/zinc/56/79/80/1022567980.db2.gz CZNTYPJCGJPHGU-URXFXBBRSA-N 2 2 394.563 3.523 20 0 GHADLP c1[nH]c2ccncc2c1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001140800987 1022567983 /nfs/dbraw/zinc/56/79/83/1022567983.db2.gz CZNTYPJCGJPHGU-URXFXBBRSA-N 2 2 394.563 3.523 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000755786942 1023378268 /nfs/dbraw/zinc/37/82/68/1023378268.db2.gz CCKLSNXYXSZZNQ-FQEVSTJZSA-N 2 2 387.487 3.796 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000755786942 1023378273 /nfs/dbraw/zinc/37/82/73/1023378273.db2.gz CCKLSNXYXSZZNQ-FQEVSTJZSA-N 2 2 387.487 3.796 20 0 GHADLP CC1(C)CCc2cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)ccc2O1 ZINC001141183114 1024029769 /nfs/dbraw/zinc/02/97/69/1024029769.db2.gz RGWOJPXBWNFRIN-SFTDATJTSA-N 2 2 377.532 3.749 20 0 GHADLP Cc1ccc2[nH]c(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)cc2c1 ZINC001138415638 1024802026 /nfs/dbraw/zinc/80/20/26/1024802026.db2.gz JVNMTFMSRWXXES-UHFFFAOYSA-N 2 2 379.504 3.936 20 0 GHADLP Cc1ccc2[nH]c(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)cc2c1 ZINC001138415638 1024802050 /nfs/dbraw/zinc/80/20/50/1024802050.db2.gz JVNMTFMSRWXXES-UHFFFAOYSA-N 2 2 379.504 3.936 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)c(OC)c(C)c3)CC2)C1 ZINC001138428962 1024825154 /nfs/dbraw/zinc/82/51/54/1024825154.db2.gz PSTHONSOCCSFJB-HXUWFJFHSA-N 2 2 388.552 3.552 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)c(OC)c(C)c3)CC2)C1 ZINC001138428962 1024825171 /nfs/dbraw/zinc/82/51/71/1024825171.db2.gz PSTHONSOCCSFJB-HXUWFJFHSA-N 2 2 388.552 3.552 20 0 GHADLP Cc1nc(C(F)(F)F)ccc1C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001141426400 1025008672 /nfs/dbraw/zinc/00/86/72/1025008672.db2.gz BUWPTAMQROAGKT-UYAOXDASSA-N 2 2 397.485 3.589 20 0 GHADLP Cc1nc(C(F)(F)F)ccc1C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001141426400 1025008678 /nfs/dbraw/zinc/00/86/78/1025008678.db2.gz BUWPTAMQROAGKT-UYAOXDASSA-N 2 2 397.485 3.589 20 0 GHADLP Cc1nc(C(F)(F)F)ccc1C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001141426400 1025008685 /nfs/dbraw/zinc/00/86/85/1025008685.db2.gz BUWPTAMQROAGKT-UYAOXDASSA-N 2 2 397.485 3.589 20 0 GHADLP Cc1nc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001141426400 1025008692 /nfs/dbraw/zinc/00/86/92/1025008692.db2.gz BUWPTAMQROAGKT-UYAOXDASSA-N 2 2 397.485 3.589 20 0 GHADLP Fc1ccc(Cl)c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001138672351 1025195062 /nfs/dbraw/zinc/19/50/62/1025195062.db2.gz AHJCBUFQZKXGNF-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1ccc(Cl)c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001138672351 1025195065 /nfs/dbraw/zinc/19/50/65/1025195065.db2.gz AHJCBUFQZKXGNF-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1ccc(Cl)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001138672351 1025195068 /nfs/dbraw/zinc/19/50/68/1025195068.db2.gz AHJCBUFQZKXGNF-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1ccc(Cl)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001138672351 1025195070 /nfs/dbraw/zinc/19/50/70/1025195070.db2.gz AHJCBUFQZKXGNF-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2I)CC1 ZINC001205124174 1033265950 /nfs/dbraw/zinc/26/59/50/1033265950.db2.gz KOQIEPVBSVDLNK-GFCCVEGCSA-N 2 2 398.210 3.623 20 0 GHADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2I)CC1 ZINC001205124174 1033265960 /nfs/dbraw/zinc/26/59/60/1033265960.db2.gz KOQIEPVBSVDLNK-GFCCVEGCSA-N 2 2 398.210 3.623 20 0 GHADLP Cc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)n1 ZINC000838865488 1025404514 /nfs/dbraw/zinc/40/45/14/1025404514.db2.gz GULNDJWUJHXXLF-UHFFFAOYSA-N 3 2 378.992 3.672 20 0 GHADLP Cc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)n1 ZINC000838865488 1025404524 /nfs/dbraw/zinc/40/45/24/1025404524.db2.gz GULNDJWUJHXXLF-UHFFFAOYSA-N 3 2 378.992 3.672 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(OCC(C)C)cc3)CC2)C1 ZINC001138970274 1025684242 /nfs/dbraw/zinc/68/42/42/1025684242.db2.gz PSBHBUVENCUIJV-FQEVSTJZSA-N 2 2 388.552 3.571 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(OCC(C)C)cc3)CC2)C1 ZINC001138970274 1025684254 /nfs/dbraw/zinc/68/42/54/1025684254.db2.gz PSBHBUVENCUIJV-FQEVSTJZSA-N 2 2 388.552 3.571 20 0 GHADLP CC(C)(C)[PH+](CCCNc1cc(N2CCC[C@@H]2C(N)=O)nc[nH+]1)C(C)(C)C ZINC001162473677 1025760953 /nfs/dbraw/zinc/76/09/53/1025760953.db2.gz WBFOVHSZXXHMBX-OAHLLOKOSA-N 2 2 393.516 3.812 20 0 GHADLP CC(C)(C)[PH+](CCCNc1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1)C(C)(C)C ZINC001162473677 1025760962 /nfs/dbraw/zinc/76/09/62/1025760962.db2.gz WBFOVHSZXXHMBX-OAHLLOKOSA-N 2 2 393.516 3.812 20 0 GHADLP c1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@H](C4CCOCC4)C3)CC2)cc1 ZINC001461035957 1069350420 /nfs/dbraw/zinc/35/04/20/1069350420.db2.gz RFGAOGIQHUNPNR-GOTSBHOMSA-N 2 2 385.596 3.774 20 0 GHADLP c1ccc(COC2CC3(C2)C[NH+](Cc2cccc(C[NH+]4CCOCC4)c2)C3)cc1 ZINC001139059223 1025849759 /nfs/dbraw/zinc/84/97/59/1025849759.db2.gz QLCGMRWBVJTROW-UHFFFAOYSA-N 2 2 392.543 3.700 20 0 GHADLP c1ccc(OCC2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC001139061342 1025853532 /nfs/dbraw/zinc/85/35/32/1025853532.db2.gz ANTBKNAPCAWXGG-UHFFFAOYSA-N 2 2 380.532 3.810 20 0 GHADLP Cc1cc(N(CC[NH+](C)C)Cc2ccc(Br)cc2)nc(C2CC2)[nH+]1 ZINC001162748876 1025903245 /nfs/dbraw/zinc/90/32/45/1025903245.db2.gz AKEBTWZQPMLRIO-UHFFFAOYSA-N 2 2 389.341 3.993 20 0 GHADLP COc1cc(O)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001139140707 1025954847 /nfs/dbraw/zinc/95/48/47/1025954847.db2.gz PIVRLCIMTAZKPH-BULFRSBZSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001139140707 1025954857 /nfs/dbraw/zinc/95/48/57/1025954857.db2.gz PIVRLCIMTAZKPH-BULFRSBZSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)ccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001139140707 1025954864 /nfs/dbraw/zinc/95/48/64/1025954864.db2.gz PIVRLCIMTAZKPH-BULFRSBZSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)ccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001139140707 1025954867 /nfs/dbraw/zinc/95/48/67/1025954867.db2.gz PIVRLCIMTAZKPH-BULFRSBZSA-N 2 2 381.520 3.528 20 0 GHADLP Cc1ccc2c(c1)[C@@H](Nc1cc(C3(C)OCCO3)cc[nH+]1)CC21CC[NH2+]CC1 ZINC001163029377 1026013277 /nfs/dbraw/zinc/01/32/77/1026013277.db2.gz AXQGRQIXBWEVQO-FQEVSTJZSA-N 2 2 379.504 3.788 20 0 GHADLP FC(F)(F)Oc1ccc(-c2cc[nH+]c(NCc3noc4c3C[NH2+]CC4)c2)cc1 ZINC001163126871 1026056941 /nfs/dbraw/zinc/05/69/41/1026056941.db2.gz ZPMLZSHOHQURQO-UHFFFAOYSA-N 2 2 390.365 3.893 20 0 GHADLP Cc1[nH]c(-c2cccc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)c2)[nH+]c1C ZINC000839572676 1026070576 /nfs/dbraw/zinc/07/05/76/1026070576.db2.gz HRANTEADANWHFM-IBGZPJMESA-N 2 2 384.549 3.850 20 0 GHADLP CCOc1ccc([C@H]2CCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)s2)cc1 ZINC001139324768 1026184380 /nfs/dbraw/zinc/18/43/80/1026184380.db2.gz OGPYTJOROBIKST-HXUWFJFHSA-N 2 2 386.565 3.631 20 0 GHADLP CCOc1ccc([C@H]2CCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)s2)cc1 ZINC001139324768 1026184389 /nfs/dbraw/zinc/18/43/89/1026184389.db2.gz OGPYTJOROBIKST-HXUWFJFHSA-N 2 2 386.565 3.631 20 0 GHADLP Brc1ccc2[nH]c(NCc3cccnc3C3CC[NH2+]CC3)[nH+]c2c1 ZINC001163909867 1026358319 /nfs/dbraw/zinc/35/83/19/1026358319.db2.gz QIXSRKLMEPHUAF-UHFFFAOYSA-N 2 2 386.297 3.800 20 0 GHADLP Brc1ccc2[nH+]c(NCc3cccnc3C3CC[NH2+]CC3)[nH]c2c1 ZINC001163909867 1026358330 /nfs/dbraw/zinc/35/83/30/1026358330.db2.gz QIXSRKLMEPHUAF-UHFFFAOYSA-N 2 2 386.297 3.800 20 0 GHADLP Cc1cc(N2CCN(c3nc(N4CCCC4)c(C)c[nH+]3)CC2)c2ccccc2[nH+]1 ZINC001164198476 1026447492 /nfs/dbraw/zinc/44/74/92/1026447492.db2.gz CQLQQSGZFRNMOK-UHFFFAOYSA-N 2 2 388.519 3.568 20 0 GHADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)nn2)c1C ZINC001164486491 1026527316 /nfs/dbraw/zinc/52/73/16/1026527316.db2.gz OSXGXJXTFWWVIE-NJDAHSKKSA-N 2 2 388.519 3.602 20 0 GHADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)nn2)c1C ZINC001164486491 1026527327 /nfs/dbraw/zinc/52/73/27/1026527327.db2.gz OSXGXJXTFWWVIE-NJDAHSKKSA-N 2 2 388.519 3.602 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(c2nc3ccc(C)cn3n2)CC1 ZINC001140025717 1026813279 /nfs/dbraw/zinc/81/32/79/1026813279.db2.gz SFIQRFAYIIQCSC-UHFFFAOYSA-N 2 2 386.503 3.911 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001140026221 1026813765 /nfs/dbraw/zinc/81/37/65/1026813765.db2.gz IVJRZPHCDRESPM-CEQLMSFQSA-N 2 2 396.535 3.916 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001140026221 1026813774 /nfs/dbraw/zinc/81/37/74/1026813774.db2.gz IVJRZPHCDRESPM-CEQLMSFQSA-N 2 2 396.535 3.916 20 0 GHADLP COc1ccc2n[nH]c(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)c2c1 ZINC001140069513 1026849031 /nfs/dbraw/zinc/84/90/31/1026849031.db2.gz XLUYVWUQSMLTFI-HSZRJFAPSA-N 2 2 376.504 3.670 20 0 GHADLP COc1ccc2n[nH]c(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)c2c1 ZINC001140069513 1026849047 /nfs/dbraw/zinc/84/90/47/1026849047.db2.gz XLUYVWUQSMLTFI-HSZRJFAPSA-N 2 2 376.504 3.670 20 0 GHADLP COc1ccc2n[nH]c(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)c2c1 ZINC001140069513 1026849061 /nfs/dbraw/zinc/84/90/61/1026849061.db2.gz XLUYVWUQSMLTFI-HSZRJFAPSA-N 2 2 376.504 3.670 20 0 GHADLP COc1ccc2n[nH]c(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2c1 ZINC001140069513 1026849071 /nfs/dbraw/zinc/84/90/71/1026849071.db2.gz XLUYVWUQSMLTFI-HSZRJFAPSA-N 2 2 376.504 3.670 20 0 GHADLP Cc1[nH+]c2c(n1CC(=O)N1CC[NH+](Cc3ccc(C(C)C)cc3)CC1)CCCC2 ZINC001166220734 1026946793 /nfs/dbraw/zinc/94/67/93/1026946793.db2.gz CXGMYCSSNLYWGY-UHFFFAOYSA-N 2 2 394.563 3.538 20 0 GHADLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccccc3Br)C2)C1 ZINC001203322040 1027274544 /nfs/dbraw/zinc/27/45/44/1027274544.db2.gz ZDXVOKYLXJATKM-UYAOXDASSA-N 2 2 393.369 3.629 20 0 GHADLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccccc3Br)C2)C1 ZINC001203322040 1027274555 /nfs/dbraw/zinc/27/45/55/1027274555.db2.gz ZDXVOKYLXJATKM-UYAOXDASSA-N 2 2 393.369 3.629 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccccc3Br)C2)C1 ZINC001203322040 1027274565 /nfs/dbraw/zinc/27/45/65/1027274565.db2.gz ZDXVOKYLXJATKM-UYAOXDASSA-N 2 2 393.369 3.629 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccccc3Br)C2)C1 ZINC001203322040 1027274579 /nfs/dbraw/zinc/27/45/79/1027274579.db2.gz ZDXVOKYLXJATKM-UYAOXDASSA-N 2 2 393.369 3.629 20 0 GHADLP Cc1[nH+]cc(Nc2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc2)cc1N ZINC001210287931 1027428150 /nfs/dbraw/zinc/42/81/50/1027428150.db2.gz HKDJFCMOFXCPKI-UHFFFAOYSA-N 2 2 393.535 3.806 20 0 GHADLP CCOC(=O)CCCc1[nH+]c2cc(Nc3ccc(C[NH2+]C)cc3)ccc2n1C ZINC001211131455 1027801196 /nfs/dbraw/zinc/80/11/96/1027801196.db2.gz VOPAOAQXAIGMLZ-UHFFFAOYSA-N 2 2 380.492 3.922 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CCNC(=O)OCc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001204096936 1027871678 /nfs/dbraw/zinc/87/16/78/1027871678.db2.gz JUDSXAHBZDBFJH-OAQYLSRUSA-N 2 2 381.520 3.556 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CCNC(=O)OCc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001204096936 1027871696 /nfs/dbraw/zinc/87/16/96/1027871696.db2.gz JUDSXAHBZDBFJH-OAQYLSRUSA-N 2 2 381.520 3.556 20 0 GHADLP Fc1cc(OCC[NH+]2CCOCC2)ccc1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001213483160 1028215119 /nfs/dbraw/zinc/21/51/19/1028215119.db2.gz KBXLMKBYJDLXCV-UHFFFAOYSA-N 2 2 399.510 3.876 20 0 GHADLP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC001461432744 1069546966 /nfs/dbraw/zinc/54/69/66/1069546966.db2.gz SFYTXGVVMNODOV-IBGZPJMESA-N 2 2 385.558 3.728 20 0 GHADLP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC001461432744 1069546975 /nfs/dbraw/zinc/54/69/75/1069546975.db2.gz SFYTXGVVMNODOV-IBGZPJMESA-N 2 2 385.558 3.728 20 0 GHADLP CC(C)CN(C(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001142373791 1028778025 /nfs/dbraw/zinc/77/80/25/1028778025.db2.gz HZZBYCPBMSAPIK-XKDQGBLPSA-N 2 2 380.536 3.699 20 0 GHADLP CN(C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CCC([NH3+])CC1 ZINC000841692205 1028844388 /nfs/dbraw/zinc/84/43/88/1028844388.db2.gz GLBQHAYIDVPOBD-JTTJXQCZSA-N 2 2 396.938 3.527 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]cc2-c2nc(-c3cccc(-c4ccncc4)c3)no2)CC1 ZINC001214673479 1028851145 /nfs/dbraw/zinc/85/11/45/1028851145.db2.gz AVFDCYJGRLLCOX-UHFFFAOYSA-N 2 2 398.470 3.612 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3CC(C)(C)CC(C)(C)C3)CC2)CC1 ZINC001142467943 1028973557 /nfs/dbraw/zinc/97/35/57/1028973557.db2.gz ITXIIPRERSPTNL-UHFFFAOYSA-N 2 2 377.617 3.858 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3CC(C)(C)CC(C)(C)C3)CC2)CC1 ZINC001142467943 1028973565 /nfs/dbraw/zinc/97/35/65/1028973565.db2.gz ITXIIPRERSPTNL-UHFFFAOYSA-N 2 2 377.617 3.858 20 0 GHADLP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CC2)cc1 ZINC001142662464 1029225322 /nfs/dbraw/zinc/22/53/22/1029225322.db2.gz JQUVWVWPHWEEQR-JOCHJYFZSA-N 2 2 398.551 3.507 20 0 GHADLP O=C(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Nc1ccc(F)c(F)c1 ZINC000842662599 1029465525 /nfs/dbraw/zinc/46/55/25/1029465525.db2.gz ZGMVLGZBCPUUHE-SFHVURJKSA-N 2 2 385.458 3.690 20 0 GHADLP O=C(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Nc1ccc(F)c(F)c1 ZINC000842662599 1029465529 /nfs/dbraw/zinc/46/55/29/1029465529.db2.gz ZGMVLGZBCPUUHE-SFHVURJKSA-N 2 2 385.458 3.690 20 0 GHADLP COc1cc2c(cc1NC(=O)C[N@@H+]1C[C@@H]3CCC[C@H]([NH3+])[C@H]3C1)oc1ccccc12 ZINC000843367249 1029943595 /nfs/dbraw/zinc/94/35/95/1029943595.db2.gz BTOTVZNRYYSBHA-WBAXXEDZSA-N 2 2 393.487 3.592 20 0 GHADLP COc1cc2c(cc1NC(=O)C[N@H+]1C[C@@H]3CCC[C@H]([NH3+])[C@H]3C1)oc1ccccc12 ZINC000843367249 1029943598 /nfs/dbraw/zinc/94/35/98/1029943598.db2.gz BTOTVZNRYYSBHA-WBAXXEDZSA-N 2 2 393.487 3.592 20 0 GHADLP c1cn(-c2ccccc2-c2noc(-c3cccc(OC4CC[NH2+]CC4)c3)n2)c[nH+]1 ZINC001216940002 1030013065 /nfs/dbraw/zinc/01/30/65/1030013065.db2.gz JZFJFYBMIBHFES-UHFFFAOYSA-N 2 2 387.443 3.720 20 0 GHADLP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1ccc(OC(C)C)c(Cl)c1)CC[NH2+]CC2 ZINC001222226329 1030021053 /nfs/dbraw/zinc/02/10/53/1030021053.db2.gz QTZMSZUWIUZGNI-SFHVURJKSA-N 2 2 394.943 3.634 20 0 GHADLP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccc(OC(C)C)c(Cl)c1)CC[NH2+]CC2 ZINC001222226329 1030021066 /nfs/dbraw/zinc/02/10/66/1030021066.db2.gz QTZMSZUWIUZGNI-SFHVURJKSA-N 2 2 394.943 3.634 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)ccc1C(F)(F)F ZINC001143345288 1030055537 /nfs/dbraw/zinc/05/55/37/1030055537.db2.gz PKUPVXQKVBDFON-IRXDYDNUSA-N 2 2 391.437 3.673 20 0 GHADLP Cc1cc(-c2noc(-c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)n2)cnc1C ZINC001217116853 1030178047 /nfs/dbraw/zinc/17/80/47/1030178047.db2.gz SMZZBDQLXQXPIQ-UHFFFAOYSA-N 2 2 379.508 3.799 20 0 GHADLP Cc1cc(-c2noc(-c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)n2)cnc1C ZINC001217116853 1030178053 /nfs/dbraw/zinc/17/80/53/1030178053.db2.gz SMZZBDQLXQXPIQ-UHFFFAOYSA-N 2 2 379.508 3.799 20 0 GHADLP Cc1nc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)ccc1F ZINC001222595550 1030221641 /nfs/dbraw/zinc/22/16/41/1030221641.db2.gz CNCZKJSSKBKLQL-OAQYLSRUSA-N 2 2 383.511 3.833 20 0 GHADLP Cc1nc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)ccc1F ZINC001222595550 1030221658 /nfs/dbraw/zinc/22/16/58/1030221658.db2.gz CNCZKJSSKBKLQL-OAQYLSRUSA-N 2 2 383.511 3.833 20 0 GHADLP O=C(C[C@@H]1CC2(CC[NH2+]CC2)c2cc(F)ccc21)Nc1cccc2[nH+]ccn21 ZINC001218499377 1030962540 /nfs/dbraw/zinc/96/25/40/1030962540.db2.gz UPEWWBVQSLYMFN-OAHLLOKOSA-N 2 2 378.451 3.611 20 0 GHADLP O=C(Nc1cc2ccccc2s1)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001218581059 1030994095 /nfs/dbraw/zinc/99/40/95/1030994095.db2.gz LOLFWTCKSDKZOY-GOSISDBHSA-N 2 2 377.513 3.561 20 0 GHADLP O=C(Nc1cc2ccccc2s1)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001218581059 1030994097 /nfs/dbraw/zinc/99/40/97/1030994097.db2.gz LOLFWTCKSDKZOY-GOSISDBHSA-N 2 2 377.513 3.561 20 0 GHADLP [NH3+]C1(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC[NH2+]CC1 ZINC001218941239 1031167260 /nfs/dbraw/zinc/16/72/60/1031167260.db2.gz NKVVZFYHZGMFFE-UHFFFAOYSA-N 2 2 379.382 3.517 20 0 GHADLP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001220071604 1031768630 /nfs/dbraw/zinc/76/86/30/1031768630.db2.gz KSGGAXFYZVIOHF-HXUWFJFHSA-N 2 2 386.927 3.859 20 0 GHADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001154161912 1031959191 /nfs/dbraw/zinc/95/91/91/1031959191.db2.gz SSIYYGDUJIBFMI-CTNGQTDRSA-N 2 2 375.532 3.541 20 0 GHADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001154161912 1031959193 /nfs/dbraw/zinc/95/91/93/1031959193.db2.gz SSIYYGDUJIBFMI-CTNGQTDRSA-N 2 2 375.532 3.541 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1Cl ZINC001220531878 1031979758 /nfs/dbraw/zinc/97/97/58/1031979758.db2.gz BHNWIBRBBVXQSD-BDCDKBNASA-N 2 2 384.351 3.633 20 0 GHADLP COC(=O)c1ccc(Br)c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206599692 1033921249 /nfs/dbraw/zinc/92/12/49/1033921249.db2.gz VRMFYMHCEAMPHM-INIZCTEOSA-N 2 2 383.330 3.588 20 0 GHADLP COC(=O)c1ccc(Br)c(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206599692 1033921255 /nfs/dbraw/zinc/92/12/55/1033921255.db2.gz VRMFYMHCEAMPHM-INIZCTEOSA-N 2 2 383.330 3.588 20 0 GHADLP Cn1c[nH+]cc1-c1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001231083540 1034386888 /nfs/dbraw/zinc/38/68/88/1034386888.db2.gz LHFAQQWHSCDVIV-JOCHJYFZSA-N 2 2 377.488 3.757 20 0 GHADLP Cn1c[nH+]cc1-c1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001231083540 1034386898 /nfs/dbraw/zinc/38/68/98/1034386898.db2.gz LHFAQQWHSCDVIV-JOCHJYFZSA-N 2 2 377.488 3.757 20 0 GHADLP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)cc1 ZINC001207938639 1034668190 /nfs/dbraw/zinc/66/81/90/1034668190.db2.gz BSJXUZXWVDVBGK-IBGZPJMESA-N 2 2 392.551 3.731 20 0 GHADLP CC(C)c1ccc(C[C@H](C)C[N@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)cc1 ZINC001207938639 1034668197 /nfs/dbraw/zinc/66/81/97/1034668197.db2.gz BSJXUZXWVDVBGK-IBGZPJMESA-N 2 2 392.551 3.731 20 0 GHADLP Cc1cccc(N2CCC[C@]3(C2)C[N@H+](CC2(C[NH+](C)C)CCCC2)CCO3)c1 ZINC001208184338 1034780078 /nfs/dbraw/zinc/78/00/78/1034780078.db2.gz BAZOMZLNWBKGIQ-XMMPIXPASA-N 2 2 385.596 3.788 20 0 GHADLP Cc1cccc(N2CCC[C@]3(C2)C[N@@H+](CC2(C[NH+](C)C)CCCC2)CCO3)c1 ZINC001208184338 1034780094 /nfs/dbraw/zinc/78/00/94/1034780094.db2.gz BAZOMZLNWBKGIQ-XMMPIXPASA-N 2 2 385.596 3.788 20 0 GHADLP FC(F)(F)c1cc(CN2CC[NH2+]CC2)cc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001159962038 1034805021 /nfs/dbraw/zinc/80/50/21/1034805021.db2.gz OMXWUCDYNKMTLI-UHFFFAOYSA-N 2 2 375.398 3.502 20 0 GHADLP c1ccc(C2(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)CCOCC2)cc1 ZINC001208227718 1034816699 /nfs/dbraw/zinc/81/66/99/1034816699.db2.gz VXNRLIYRPLPHRW-PKTZIBPZSA-N 2 2 391.559 3.584 20 0 GHADLP c1ccc(C2(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)CCOCC2)cc1 ZINC001208227718 1034816705 /nfs/dbraw/zinc/81/67/05/1034816705.db2.gz VXNRLIYRPLPHRW-PKTZIBPZSA-N 2 2 391.559 3.584 20 0 GHADLP c1ccc(C2(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)CCOCC2)cc1 ZINC001208227718 1034816712 /nfs/dbraw/zinc/81/67/12/1034816712.db2.gz VXNRLIYRPLPHRW-PKTZIBPZSA-N 2 2 391.559 3.584 20 0 GHADLP c1ccc(C2(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)CCOCC2)cc1 ZINC001208227718 1034816721 /nfs/dbraw/zinc/81/67/21/1034816721.db2.gz VXNRLIYRPLPHRW-PKTZIBPZSA-N 2 2 391.559 3.584 20 0 GHADLP CC(C)Sc1nc2sccn2c1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001231777629 1034901722 /nfs/dbraw/zinc/90/17/22/1034901722.db2.gz UOWMMBFAHXFWCD-UHFFFAOYSA-N 2 2 393.582 3.526 20 0 GHADLP CN(C)c1ccc(Nc2ccc([C@@H](O)C[NH2+]CCc3ccccc3)cc2)c[nH+]1 ZINC001160253519 1034918735 /nfs/dbraw/zinc/91/87/35/1034918735.db2.gz JXRVZKQSZWZCGF-QFIPXVFZSA-N 2 2 376.504 3.757 20 0 GHADLP c1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)ccc1C[C@@H]1CCC[NH2+]C1 ZINC001160256727 1034920405 /nfs/dbraw/zinc/92/04/05/1034920405.db2.gz NKXJEZJPVIWFBC-NRFANRHFSA-N 2 2 395.547 3.683 20 0 GHADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](CCCCCOCc1ccccc1)C2 ZINC001208813616 1035034735 /nfs/dbraw/zinc/03/47/35/1035034735.db2.gz NWOSGMKIIHCWHY-UHFFFAOYSA-N 2 2 399.583 3.711 20 0 GHADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](CCCCCOCc1ccccc1)C2 ZINC001208813616 1035034742 /nfs/dbraw/zinc/03/47/42/1035034742.db2.gz NWOSGMKIIHCWHY-UHFFFAOYSA-N 2 2 399.583 3.711 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](CCCCCOCc1ccccc1)C2 ZINC001208813616 1035034748 /nfs/dbraw/zinc/03/47/48/1035034748.db2.gz NWOSGMKIIHCWHY-UHFFFAOYSA-N 2 2 399.583 3.711 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](CCCCCOCc1ccccc1)C2 ZINC001208813616 1035034754 /nfs/dbraw/zinc/03/47/54/1035034754.db2.gz NWOSGMKIIHCWHY-UHFFFAOYSA-N 2 2 399.583 3.711 20 0 GHADLP FC(F)(F)c1ccccc1CCC[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001208828859 1035044861 /nfs/dbraw/zinc/04/48/61/1035044861.db2.gz ORKVEJVXPQNTGR-UHFFFAOYSA-N 2 2 390.409 3.929 20 0 GHADLP FC(F)(F)c1ccccc1CCC[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001208828859 1035044869 /nfs/dbraw/zinc/04/48/69/1035044869.db2.gz ORKVEJVXPQNTGR-UHFFFAOYSA-N 2 2 390.409 3.929 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4noc5ccccc54)CC3)C2)cc1 ZINC001208932898 1035096583 /nfs/dbraw/zinc/09/65/83/1035096583.db2.gz SDFXXQQCLQHHNT-NRFANRHFSA-N 2 2 390.531 3.862 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4noc5ccccc54)CC3)C2)cc1 ZINC001208932898 1035096589 /nfs/dbraw/zinc/09/65/89/1035096589.db2.gz SDFXXQQCLQHHNT-NRFANRHFSA-N 2 2 390.531 3.862 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208940393 1035108980 /nfs/dbraw/zinc/10/89/80/1035108980.db2.gz CJAODZZEHHVLSP-SVFBPWRDSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208940393 1035108985 /nfs/dbraw/zinc/10/89/85/1035108985.db2.gz CJAODZZEHHVLSP-SVFBPWRDSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208940393 1035108988 /nfs/dbraw/zinc/10/89/88/1035108988.db2.gz CJAODZZEHHVLSP-SVFBPWRDSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208940393 1035108992 /nfs/dbraw/zinc/10/89/92/1035108992.db2.gz CJAODZZEHHVLSP-SVFBPWRDSA-N 2 2 387.568 3.838 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001232149648 1035127323 /nfs/dbraw/zinc/12/73/23/1035127323.db2.gz NPOGFUVTPIHHMH-GOTSBHOMSA-N 3 2 381.539 3.841 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001232149648 1035127327 /nfs/dbraw/zinc/12/73/27/1035127327.db2.gz NPOGFUVTPIHHMH-GOTSBHOMSA-N 3 2 381.539 3.841 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001232149648 1035127333 /nfs/dbraw/zinc/12/73/33/1035127333.db2.gz NPOGFUVTPIHHMH-GOTSBHOMSA-N 3 2 381.539 3.841 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001232149648 1035127340 /nfs/dbraw/zinc/12/73/40/1035127340.db2.gz NPOGFUVTPIHHMH-GOTSBHOMSA-N 3 2 381.539 3.841 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]2c2ccc(OC(F)(F)F)cc2)cc1 ZINC001161252487 1035194000 /nfs/dbraw/zinc/19/40/00/1035194000.db2.gz LFKJXEUQYXYYIG-MSOLQXFVSA-N 2 2 393.409 3.521 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCC(c3csc4ccccc43)CC2)cc1 ZINC001161453603 1035234259 /nfs/dbraw/zinc/23/42/59/1035234259.db2.gz KPYUTROGTOGFCA-FQEVSTJZSA-N 2 2 379.529 3.880 20 0 GHADLP CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001209311006 1035238210 /nfs/dbraw/zinc/23/82/10/1035238210.db2.gz UMJPAGANFDAHGM-QFIPXVFZSA-N 2 2 399.579 3.909 20 0 GHADLP CC[NH+]1CCC([N@H+](C)C[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1 ZINC001209316603 1035239729 /nfs/dbraw/zinc/23/97/29/1035239729.db2.gz HBGXGXZFZUBSMY-NRFANRHFSA-N 2 2 387.568 3.765 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)C[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1 ZINC001209316603 1035239732 /nfs/dbraw/zinc/23/97/32/1035239732.db2.gz HBGXGXZFZUBSMY-NRFANRHFSA-N 2 2 387.568 3.765 20 0 GHADLP CC[C@H](C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001209457521 1035278841 /nfs/dbraw/zinc/27/88/41/1035278841.db2.gz QPBMIBGVZQYVEW-LJQANCHMSA-N 2 2 375.557 3.886 20 0 GHADLP CC[C@H](C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001209457521 1035278847 /nfs/dbraw/zinc/27/88/47/1035278847.db2.gz QPBMIBGVZQYVEW-LJQANCHMSA-N 2 2 375.557 3.886 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)C1 ZINC001209518408 1035301180 /nfs/dbraw/zinc/30/11/80/1035301180.db2.gz LBSJCQBHECWFIR-IBGZPJMESA-N 2 2 398.551 3.731 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)C1 ZINC001209518408 1035301185 /nfs/dbraw/zinc/30/11/85/1035301185.db2.gz LBSJCQBHECWFIR-IBGZPJMESA-N 2 2 398.551 3.731 20 0 GHADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3c(Cl)ccc(F)c3F)C2)C1 ZINC001278360060 1036062048 /nfs/dbraw/zinc/06/20/48/1036062048.db2.gz XPELOVYMQNVWBE-HXUWFJFHSA-N 2 2 385.930 3.858 20 0 GHADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3c(Cl)ccc(F)c3F)C2)C1 ZINC001278360060 1036062070 /nfs/dbraw/zinc/06/20/70/1036062070.db2.gz XPELOVYMQNVWBE-HXUWFJFHSA-N 2 2 385.930 3.858 20 0 GHADLP Fc1cc(OCC[NH+]2CCOCC2)ccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001244136196 1036391254 /nfs/dbraw/zinc/39/12/54/1036391254.db2.gz IXVKROKFTMPAHV-UHFFFAOYSA-N 2 2 384.495 3.800 20 0 GHADLP COc1cc(C[NH+]2CCOCC2)ccc1-c1ccc(OCCC[NH+](C)C)cc1 ZINC001245342077 1036889227 /nfs/dbraw/zinc/88/92/27/1036889227.db2.gz RVNBKIAEYWXEHR-UHFFFAOYSA-N 2 2 384.520 3.525 20 0 GHADLP C[C@H]1C[NH2+]C[C@@H]1[NH2+]C[C@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245983753 1037108340 /nfs/dbraw/zinc/10/83/40/1037108340.db2.gz OLILKJZGZHFCIT-BKOMCJNNSA-N 2 2 377.315 3.796 20 0 GHADLP CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc1 ZINC001246060962 1037172975 /nfs/dbraw/zinc/17/29/75/1037172975.db2.gz RZYRXRDGMIZGPM-OAQYLSRUSA-N 2 2 394.559 3.818 20 0 GHADLP O[C@@H](C[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC001246069176 1037183156 /nfs/dbraw/zinc/18/31/56/1037183156.db2.gz LZNPGGUCVWSLHQ-FQEVSTJZSA-N 2 2 380.866 3.906 20 0 GHADLP O[C@@H](C[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC001246069176 1037183163 /nfs/dbraw/zinc/18/31/63/1037183163.db2.gz LZNPGGUCVWSLHQ-FQEVSTJZSA-N 2 2 380.866 3.906 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3NC2=O)CC[NH2+]1 ZINC001246324771 1037296591 /nfs/dbraw/zinc/29/65/91/1037296591.db2.gz HFPBAJGOYSATBI-FFZOFVMBSA-N 2 2 387.886 3.734 20 0 GHADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246401932 1037360090 /nfs/dbraw/zinc/36/00/90/1037360090.db2.gz PWGHWKRRWCPXKQ-QRWLVFNGSA-N 2 2 392.902 3.851 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)C(O)(c2ccccc2)c2ccccc2)C[NH2+]1 ZINC001246410440 1037366152 /nfs/dbraw/zinc/36/61/52/1037366152.db2.gz JPFKOWLERUCBRT-NIJXNBFTSA-N 2 2 386.539 3.874 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246749411 1037588536 /nfs/dbraw/zinc/58/85/36/1037588536.db2.gz WLJLMHOVQKLGTJ-BKFWDETESA-N 3 2 399.623 3.971 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246749411 1037588558 /nfs/dbraw/zinc/58/85/58/1037588558.db2.gz WLJLMHOVQKLGTJ-BKFWDETESA-N 3 2 399.623 3.971 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH+]2CCN(c3nccc4occc43)CC2)CC[NH2+]1 ZINC001246815412 1037648386 /nfs/dbraw/zinc/64/83/86/1037648386.db2.gz BTKOKJDABHLPJY-RXVVDRJESA-N 2 2 394.494 3.891 20 0 GHADLP c1ccc(C[C@@H]2C[C@H]([N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246830522 1037660420 /nfs/dbraw/zinc/66/04/20/1037660420.db2.gz VKJSSFIPCZVEGA-TWJOJJKGSA-N 3 2 389.587 3.948 20 0 GHADLP c1ccc(C[C@@H]2C[C@H]([N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246830522 1037660429 /nfs/dbraw/zinc/66/04/29/1037660429.db2.gz VKJSSFIPCZVEGA-TWJOJJKGSA-N 3 2 389.587 3.948 20 0 GHADLP c1ccc(C[C@@H]2C[C@H]([NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246830522 1037660439 /nfs/dbraw/zinc/66/04/39/1037660439.db2.gz VKJSSFIPCZVEGA-TWJOJJKGSA-N 3 2 389.587 3.948 20 0 GHADLP c1ccc(C[C@@H]2C[C@H]([NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246830522 1037660451 /nfs/dbraw/zinc/66/04/51/1037660451.db2.gz VKJSSFIPCZVEGA-TWJOJJKGSA-N 3 2 389.587 3.948 20 0 GHADLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246849529 1037674059 /nfs/dbraw/zinc/67/40/59/1037674059.db2.gz FVFNOOGGNAXSPM-GVAUOCQISA-N 3 2 377.576 3.804 20 0 GHADLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246849529 1037674066 /nfs/dbraw/zinc/67/40/66/1037674066.db2.gz FVFNOOGGNAXSPM-GVAUOCQISA-N 3 2 377.576 3.804 20 0 GHADLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246849529 1037674079 /nfs/dbraw/zinc/67/40/79/1037674079.db2.gz FVFNOOGGNAXSPM-GVAUOCQISA-N 3 2 377.576 3.804 20 0 GHADLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246849529 1037674090 /nfs/dbraw/zinc/67/40/90/1037674090.db2.gz FVFNOOGGNAXSPM-GVAUOCQISA-N 3 2 377.576 3.804 20 0 GHADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)Cc2ccccc21 ZINC001246903604 1037715276 /nfs/dbraw/zinc/71/52/76/1037715276.db2.gz ATURNWFJQRBWCY-STZQEDGTSA-N 2 2 382.479 3.700 20 0 GHADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)Cc2ccccc21 ZINC001246903604 1037715298 /nfs/dbraw/zinc/71/52/98/1037715298.db2.gz ATURNWFJQRBWCY-STZQEDGTSA-N 2 2 382.479 3.700 20 0 GHADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)Cc2ccccc21 ZINC001246903591 1037715763 /nfs/dbraw/zinc/71/57/63/1037715763.db2.gz ATURNWFJQRBWCY-BWAGFHJFSA-N 2 2 382.479 3.700 20 0 GHADLP COC(=O)[C@@H]1C[N@H+]([C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)Cc2ccccc21 ZINC001246903591 1037715789 /nfs/dbraw/zinc/71/57/89/1037715789.db2.gz ATURNWFJQRBWCY-BWAGFHJFSA-N 2 2 382.479 3.700 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246936206 1037739434 /nfs/dbraw/zinc/73/94/34/1037739434.db2.gz MRLOMXVEOYRJIF-JTSKRJEESA-N 2 2 384.495 3.798 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246936206 1037739457 /nfs/dbraw/zinc/73/94/57/1037739457.db2.gz MRLOMXVEOYRJIF-JTSKRJEESA-N 2 2 384.495 3.798 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1)C2 ZINC001246939295 1037744886 /nfs/dbraw/zinc/74/48/86/1037744886.db2.gz UMRYDTWDQYBLKJ-MHTWAQMVSA-N 2 2 389.515 3.532 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1)C2 ZINC001246939295 1037744903 /nfs/dbraw/zinc/74/49/03/1037744903.db2.gz UMRYDTWDQYBLKJ-MHTWAQMVSA-N 2 2 389.515 3.532 20 0 GHADLP COC(=O)c1cccc2c1CC[N@@H+]([C@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246946818 1037749912 /nfs/dbraw/zinc/74/99/12/1037749912.db2.gz HWEFTPMHDGKHOJ-AVRDEDQJSA-N 2 2 382.479 3.772 20 0 GHADLP COC(=O)c1cccc2c1CC[N@H+]([C@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246946818 1037749927 /nfs/dbraw/zinc/74/99/27/1037749927.db2.gz HWEFTPMHDGKHOJ-AVRDEDQJSA-N 2 2 382.479 3.772 20 0 GHADLP O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1)c1cccc(F)c1 ZINC001246954792 1037764673 /nfs/dbraw/zinc/76/46/73/1037764673.db2.gz MSWBJEGTWBMPCJ-YPAWHYETSA-N 2 2 381.495 3.513 20 0 GHADLP O=C(N[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1)c1cccc(F)c1 ZINC001246954792 1037764697 /nfs/dbraw/zinc/76/46/97/1037764697.db2.gz MSWBJEGTWBMPCJ-YPAWHYETSA-N 2 2 381.495 3.513 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246957309 1037767794 /nfs/dbraw/zinc/76/77/94/1037767794.db2.gz BGVWVKGOOIJLRJ-SFHLNBCPSA-N 2 2 399.510 3.874 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246957309 1037767812 /nfs/dbraw/zinc/76/78/12/1037767812.db2.gz BGVWVKGOOIJLRJ-SFHLNBCPSA-N 2 2 399.510 3.874 20 0 GHADLP CCOC(=O)C1CCC([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001246966120 1037787555 /nfs/dbraw/zinc/78/75/55/1037787555.db2.gz UQHAFTVDWDRHRS-UHFFFAOYSA-N 2 2 380.479 3.641 20 0 GHADLP CCOC(=O)C1CCC([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001246966120 1037787586 /nfs/dbraw/zinc/78/75/86/1037787586.db2.gz UQHAFTVDWDRHRS-UHFFFAOYSA-N 2 2 380.479 3.641 20 0 GHADLP COc1ccc(OC2CC[NH+]([C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)nc1 ZINC001246971261 1037794399 /nfs/dbraw/zinc/79/43/99/1037794399.db2.gz BQBHUSJWJCQBCF-XMSQKQJNSA-N 2 2 399.510 3.874 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)CC[NH2+]1 ZINC001246984222 1037808415 /nfs/dbraw/zinc/80/84/15/1037808415.db2.gz DRXSUAIVCVUABT-IHPCNDPISA-N 2 2 381.486 3.733 20 0 GHADLP CC(C)[C@@H]1C[C@@H]([NH+]2CCN([C@@H](C)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001247019737 1037841836 /nfs/dbraw/zinc/84/18/36/1037841836.db2.gz ZRHGGZRMXBYBPA-VDGAXYAQSA-N 2 2 394.401 3.904 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4cc(Cl)cs4)CC[C@@H]3C2)cs1 ZINC001232281266 1038015773 /nfs/dbraw/zinc/01/57/73/1038015773.db2.gz FIEJWSKNJLYEKJ-RDTXWAMCSA-N 2 2 397.997 3.889 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4cc(Cl)cs4)CC[C@@H]3C2)cs1 ZINC001232281266 1038015793 /nfs/dbraw/zinc/01/57/93/1038015793.db2.gz FIEJWSKNJLYEKJ-RDTXWAMCSA-N 2 2 397.997 3.889 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4cc(Cl)cs4)CC[C@@H]3C2)cs1 ZINC001232281266 1038015797 /nfs/dbraw/zinc/01/57/97/1038015797.db2.gz FIEJWSKNJLYEKJ-RDTXWAMCSA-N 2 2 397.997 3.889 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4cc(Cl)cs4)CC[C@@H]3C2)cs1 ZINC001232281266 1038015808 /nfs/dbraw/zinc/01/58/08/1038015808.db2.gz FIEJWSKNJLYEKJ-RDTXWAMCSA-N 2 2 397.997 3.889 20 0 GHADLP COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001232354073 1038134241 /nfs/dbraw/zinc/13/42/41/1038134241.db2.gz DLBWPBBLNQBWPK-YUXAGFNASA-N 2 2 380.536 3.526 20 0 GHADLP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001232354073 1038134247 /nfs/dbraw/zinc/13/42/47/1038134247.db2.gz DLBWPBBLNQBWPK-YUXAGFNASA-N 2 2 380.536 3.526 20 0 GHADLP COc1cc(C)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001232354073 1038134258 /nfs/dbraw/zinc/13/42/58/1038134258.db2.gz DLBWPBBLNQBWPK-YUXAGFNASA-N 2 2 380.536 3.526 20 0 GHADLP COc1cc(C)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001232354073 1038134264 /nfs/dbraw/zinc/13/42/64/1038134264.db2.gz DLBWPBBLNQBWPK-YUXAGFNASA-N 2 2 380.536 3.526 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3nc4ccccc4o3)C[C@H]21 ZINC001232557836 1038325544 /nfs/dbraw/zinc/32/55/44/1038325544.db2.gz KDKUIDKFZIEDBR-FBBABVLZSA-N 2 2 376.504 3.955 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3nc4ccccc4o3)C[C@H]21 ZINC001232557836 1038325563 /nfs/dbraw/zinc/32/55/63/1038325563.db2.gz KDKUIDKFZIEDBR-FBBABVLZSA-N 2 2 376.504 3.955 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2c[nH]c3cc(Br)ncc23)C1 ZINC001232861937 1038612936 /nfs/dbraw/zinc/61/29/36/1038612936.db2.gz JFOPKYSZZLNSHN-AWEZNQCLSA-N 2 2 387.281 3.682 20 0 GHADLP CCOc1c(Cl)cc(C[N@H+](CCC[NH+](C)C)CCC(=O)OC)cc1Cl ZINC001233105210 1038888189 /nfs/dbraw/zinc/88/81/89/1038888189.db2.gz IAMLCYMIMCELTP-UHFFFAOYSA-N 2 2 391.339 3.709 20 0 GHADLP CCOc1c(Cl)cc(C[N@@H+](CCC[NH+](C)C)CCC(=O)OC)cc1Cl ZINC001233105210 1038888210 /nfs/dbraw/zinc/88/82/10/1038888210.db2.gz IAMLCYMIMCELTP-UHFFFAOYSA-N 2 2 391.339 3.709 20 0 GHADLP COc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1NC(=O)OC(C)(C)C ZINC001233124152 1038911340 /nfs/dbraw/zinc/91/13/40/1038911340.db2.gz FAPYHXMBZYAJHA-UHFFFAOYSA-N 2 2 398.507 3.759 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cnn3ccccc13)C2 ZINC001233239147 1038997079 /nfs/dbraw/zinc/99/70/79/1038997079.db2.gz MPKPXYPUWWETQH-UHFFFAOYSA-N 2 2 387.487 3.513 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cnn3ccccc13)C2 ZINC001233239147 1038997092 /nfs/dbraw/zinc/99/70/92/1038997092.db2.gz MPKPXYPUWWETQH-UHFFFAOYSA-N 2 2 387.487 3.513 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1cnn3ccccc13)C2 ZINC001233239147 1038997093 /nfs/dbraw/zinc/99/70/93/1038997093.db2.gz MPKPXYPUWWETQH-UHFFFAOYSA-N 2 2 387.487 3.513 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1cnn3ccccc13)C2 ZINC001233239147 1038997098 /nfs/dbraw/zinc/99/70/98/1038997098.db2.gz MPKPXYPUWWETQH-UHFFFAOYSA-N 2 2 387.487 3.513 20 0 GHADLP CC(C)OC[C@@H](O)C[N@@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001252681946 1039077311 /nfs/dbraw/zinc/07/73/11/1039077311.db2.gz WXDIMTDJMOPCCA-QHCPKHFHSA-N 2 2 394.559 3.570 20 0 GHADLP CC(C)OC[C@@H](O)C[N@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001252681946 1039077332 /nfs/dbraw/zinc/07/73/32/1039077332.db2.gz WXDIMTDJMOPCCA-QHCPKHFHSA-N 2 2 394.559 3.570 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(F)c(F)cc3N)C[C@H]21 ZINC001233380631 1039206960 /nfs/dbraw/zinc/20/69/60/1039206960.db2.gz XUBSQPAQDLYWKT-YBOAYWMSSA-N 2 2 386.490 3.675 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(F)c(F)cc3N)C[C@H]21 ZINC001233380631 1039206974 /nfs/dbraw/zinc/20/69/74/1039206974.db2.gz XUBSQPAQDLYWKT-YBOAYWMSSA-N 2 2 386.490 3.675 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3N)C[C@H]21 ZINC001233380631 1039206977 /nfs/dbraw/zinc/20/69/77/1039206977.db2.gz XUBSQPAQDLYWKT-YBOAYWMSSA-N 2 2 386.490 3.675 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3N)C[C@H]21 ZINC001233380631 1039206986 /nfs/dbraw/zinc/20/69/86/1039206986.db2.gz XUBSQPAQDLYWKT-YBOAYWMSSA-N 2 2 386.490 3.675 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001254209057 1040064137 /nfs/dbraw/zinc/06/41/37/1040064137.db2.gz JQVQZXZNCSIYKS-MSOLQXFVSA-N 2 2 375.513 3.633 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001254209057 1040064154 /nfs/dbraw/zinc/06/41/54/1040064154.db2.gz JQVQZXZNCSIYKS-MSOLQXFVSA-N 2 2 375.513 3.633 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cc(C)ccc1C ZINC001234558362 1040127367 /nfs/dbraw/zinc/12/73/67/1040127367.db2.gz JTJCXTVGGDUWOO-UNMCSNQZSA-N 2 2 386.584 3.564 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cc(C)ccc1C ZINC001234558362 1040127378 /nfs/dbraw/zinc/12/73/78/1040127378.db2.gz JTJCXTVGGDUWOO-UNMCSNQZSA-N 2 2 386.584 3.564 20 0 GHADLP C[C@H]1C[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Br)c3)CC[C@H]2O1 ZINC001235027514 1040519501 /nfs/dbraw/zinc/51/95/01/1040519501.db2.gz LMFMWVMRXVIYOV-DHSIGJKJSA-N 2 2 376.298 3.634 20 0 GHADLP C[C@H]1C[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Br)c3)CC[C@H]2O1 ZINC001235027514 1040519514 /nfs/dbraw/zinc/51/95/14/1040519514.db2.gz LMFMWVMRXVIYOV-DHSIGJKJSA-N 2 2 376.298 3.634 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 ZINC001254798528 1040561538 /nfs/dbraw/zinc/56/15/38/1040561538.db2.gz SBMXYUQQARCTLJ-ICSRJNTNSA-N 2 2 391.600 3.972 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 ZINC001254798528 1040561552 /nfs/dbraw/zinc/56/15/52/1040561552.db2.gz SBMXYUQQARCTLJ-ICSRJNTNSA-N 2 2 391.600 3.972 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 ZINC001254798528 1040561571 /nfs/dbraw/zinc/56/15/71/1040561571.db2.gz SBMXYUQQARCTLJ-ICSRJNTNSA-N 2 2 391.600 3.972 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 ZINC001254798528 1040561580 /nfs/dbraw/zinc/56/15/80/1040561580.db2.gz SBMXYUQQARCTLJ-ICSRJNTNSA-N 2 2 391.600 3.972 20 0 GHADLP Brc1cccc(C2(C[NH2+][C@@H]3CC4CC[NH+](CC4)C3)CCOCC2)c1 ZINC001254845161 1040589388 /nfs/dbraw/zinc/58/93/88/1040589388.db2.gz NGRKULYHOYJGFY-LJQANCHMSA-N 2 2 393.369 3.571 20 0 GHADLP FC(F)(F)c1cccc(CC2([NH2+][C@@H]3CC4CC[NH+](CC4)C3)CCOCC2)c1 ZINC001254848833 1040591765 /nfs/dbraw/zinc/59/17/65/1040591765.db2.gz XFRFZGSIPWPHFQ-LJQANCHMSA-N 2 2 382.470 3.871 20 0 GHADLP COc1cc(C)c(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1OCc1ccccc1 ZINC001235118047 1040609311 /nfs/dbraw/zinc/60/93/11/1040609311.db2.gz LQMRQSGJXGWYQF-XMMPIXPASA-N 2 2 396.531 3.537 20 0 GHADLP COc1cc(C)c(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1OCc1ccccc1 ZINC001235118047 1040609330 /nfs/dbraw/zinc/60/93/30/1040609330.db2.gz LQMRQSGJXGWYQF-XMMPIXPASA-N 2 2 396.531 3.537 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C1)CCC([N@@H+]1Cc3ccccc3C[C@@H]1C[NH3+])CC2 ZINC001254875997 1040620918 /nfs/dbraw/zinc/62/09/18/1040620918.db2.gz SZJREQUHOMXJLK-ZPGVXSSASA-N 2 2 399.579 3.942 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C1)CCC([N@H+]1Cc3ccccc3C[C@@H]1C[NH3+])CC2 ZINC001254875997 1040620921 /nfs/dbraw/zinc/62/09/21/1040620921.db2.gz SZJREQUHOMXJLK-ZPGVXSSASA-N 2 2 399.579 3.942 20 0 GHADLP C[N@H+](Cc1cc2c(ccnc2Cl)o1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462479110 1070287559 /nfs/dbraw/zinc/28/75/59/1070287559.db2.gz MBIYIYDWOQNLPU-OAQYLSRUSA-N 2 2 385.895 3.550 20 0 GHADLP C[N@@H+](Cc1cc2c(ccnc2Cl)o1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462479110 1070287578 /nfs/dbraw/zinc/28/75/78/1070287578.db2.gz MBIYIYDWOQNLPU-OAQYLSRUSA-N 2 2 385.895 3.550 20 0 GHADLP C[NH+](Cc1cc2c(ccnc2Cl)o1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001462479110 1070287592 /nfs/dbraw/zinc/28/75/92/1070287592.db2.gz MBIYIYDWOQNLPU-OAQYLSRUSA-N 2 2 385.895 3.550 20 0 GHADLP C[NH+](Cc1cc2c(ccnc2Cl)o1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001462479110 1070287599 /nfs/dbraw/zinc/28/75/99/1070287599.db2.gz MBIYIYDWOQNLPU-OAQYLSRUSA-N 2 2 385.895 3.550 20 0 GHADLP COc1ccc([C@H]([NH3+])[C@@H]([NH2+]C2C[C@H]3CC(=O)C[C@@H]3C2)c2ccc(OC)cc2)cc1 ZINC001254929788 1040674490 /nfs/dbraw/zinc/67/44/90/1040674490.db2.gz XYXPVFWSESGZGX-MQQADFIWSA-N 2 2 394.515 3.792 20 0 GHADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001235249938 1040730164 /nfs/dbraw/zinc/73/01/64/1040730164.db2.gz BDHJNUAXWUXTPW-FQEVSTJZSA-N 2 2 386.584 3.715 20 0 GHADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001235249938 1040730177 /nfs/dbraw/zinc/73/01/77/1040730177.db2.gz BDHJNUAXWUXTPW-FQEVSTJZSA-N 2 2 386.584 3.715 20 0 GHADLP FC1(F)CC[N@@H+](C2Cc3ccccc3C2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001255024748 1040737542 /nfs/dbraw/zinc/73/75/42/1040737542.db2.gz ONEQGUNPXVCOKU-JOCHJYFZSA-N 2 2 383.486 3.782 20 0 GHADLP FC1(F)CC[N@H+](C2Cc3ccccc3C2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001255024748 1040737558 /nfs/dbraw/zinc/73/75/58/1040737558.db2.gz ONEQGUNPXVCOKU-JOCHJYFZSA-N 2 2 383.486 3.782 20 0 GHADLP FC1(F)CC[NH+](C2Cc3ccccc3C2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001255024748 1040737572 /nfs/dbraw/zinc/73/75/72/1040737572.db2.gz ONEQGUNPXVCOKU-JOCHJYFZSA-N 2 2 383.486 3.782 20 0 GHADLP FC1(F)CC[NH+](C2Cc3ccccc3C2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001255024748 1040737586 /nfs/dbraw/zinc/73/75/86/1040737586.db2.gz ONEQGUNPXVCOKU-JOCHJYFZSA-N 2 2 383.486 3.782 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cn2)cc1 ZINC001235268958 1040747191 /nfs/dbraw/zinc/74/71/91/1040747191.db2.gz KECLELRVYMFOGB-APWZRJJASA-N 2 2 377.410 3.831 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cn2)cc1 ZINC001235268958 1040747208 /nfs/dbraw/zinc/74/72/08/1040747208.db2.gz KECLELRVYMFOGB-APWZRJJASA-N 2 2 377.410 3.831 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccnc(OCC4CC4)n2)C3)cc1 ZINC001255133515 1040830899 /nfs/dbraw/zinc/83/08/99/1040830899.db2.gz UBXKJSUZSKMQMH-KOUNCHBCSA-N 2 2 378.520 3.551 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccnc(OCC4CC4)n2)C3)cc1 ZINC001255133515 1040830912 /nfs/dbraw/zinc/83/09/12/1040830912.db2.gz UBXKJSUZSKMQMH-KOUNCHBCSA-N 2 2 378.520 3.551 20 0 GHADLP COc1cc(Cl)c(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(OC)c1 ZINC001235377517 1040889628 /nfs/dbraw/zinc/88/96/28/1040889628.db2.gz URGIKYSMVYHPRL-KNQAVFIVSA-N 2 2 386.923 3.936 20 0 GHADLP COc1cc(Cl)c(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(OC)c1 ZINC001235377517 1040889642 /nfs/dbraw/zinc/88/96/42/1040889642.db2.gz URGIKYSMVYHPRL-KNQAVFIVSA-N 2 2 386.923 3.936 20 0 GHADLP FC(F)(F)COc1ccc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cn1 ZINC001235377997 1040893142 /nfs/dbraw/zinc/89/31/42/1040893142.db2.gz ZCVGYVFDLLLKOW-QUCCMNQESA-N 2 2 391.437 3.602 20 0 GHADLP FC(F)(F)COc1ccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cn1 ZINC001235377997 1040893153 /nfs/dbraw/zinc/89/31/53/1040893153.db2.gz ZCVGYVFDLLLKOW-QUCCMNQESA-N 2 2 391.437 3.602 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c(OCc2ccccc2)c1 ZINC001235400841 1040913835 /nfs/dbraw/zinc/91/38/35/1040913835.db2.gz FKXQNWKMALHVJB-DHIUTWEWSA-N 2 2 384.495 3.798 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c(OCc2ccccc2)c1 ZINC001235400841 1040913837 /nfs/dbraw/zinc/91/38/37/1040913837.db2.gz FKXQNWKMALHVJB-DHIUTWEWSA-N 2 2 384.495 3.798 20 0 GHADLP Cc1c(Cl)c(Br)ccc1C[N@@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235401153 1040914329 /nfs/dbraw/zinc/91/43/29/1040914329.db2.gz GBVREQIGVQFMTI-QWHCGFSZSA-N 2 2 375.713 3.920 20 0 GHADLP Cc1c(Cl)c(Br)ccc1C[N@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235401153 1040914331 /nfs/dbraw/zinc/91/43/31/1040914331.db2.gz GBVREQIGVQFMTI-QWHCGFSZSA-N 2 2 375.713 3.920 20 0 GHADLP CCC[NH+](CCC)CCCN1CC[NH+](Cc2c[nH]c3cnc(Cl)cc23)CC1 ZINC001235510946 1040968790 /nfs/dbraw/zinc/96/87/90/1040968790.db2.gz INSQXXLETBXCCY-UHFFFAOYSA-N 2 2 391.991 3.846 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001235557202 1040985576 /nfs/dbraw/zinc/98/55/76/1040985576.db2.gz GEIGSGXQGWZQBZ-QVHQYWGISA-N 3 2 397.579 3.771 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001235557202 1040985578 /nfs/dbraw/zinc/98/55/78/1040985578.db2.gz GEIGSGXQGWZQBZ-QVHQYWGISA-N 3 2 397.579 3.771 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001235557202 1040985579 /nfs/dbraw/zinc/98/55/79/1040985579.db2.gz GEIGSGXQGWZQBZ-QVHQYWGISA-N 3 2 397.579 3.771 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001235557202 1040985582 /nfs/dbraw/zinc/98/55/82/1040985582.db2.gz GEIGSGXQGWZQBZ-QVHQYWGISA-N 3 2 397.579 3.771 20 0 GHADLP CCOc1ccc(Cl)cc1C[N@@H+]1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001235558193 1040987170 /nfs/dbraw/zinc/98/71/70/1040987170.db2.gz QDQPZDXVMKVZCT-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP CCOc1ccc(Cl)cc1C[N@H+]1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001235558193 1040987171 /nfs/dbraw/zinc/98/71/71/1040987171.db2.gz QDQPZDXVMKVZCT-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP C[C@@H]1CN(C(=O)c2ccccc2)CC[N@@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255410508 1041004638 /nfs/dbraw/zinc/00/46/38/1041004638.db2.gz XYEVVRSWOAGOQE-ZJSXRUAMSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@@H]1CN(C(=O)c2ccccc2)CC[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255410508 1041004652 /nfs/dbraw/zinc/00/46/52/1041004652.db2.gz XYEVVRSWOAGOQE-ZJSXRUAMSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@@H]1CN(C(=O)c2ccccc2)CC[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255410508 1041004667 /nfs/dbraw/zinc/00/46/67/1041004667.db2.gz XYEVVRSWOAGOQE-ZJSXRUAMSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@@H]1CN(C(=O)c2ccccc2)CC[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255410508 1041004686 /nfs/dbraw/zinc/00/46/86/1041004686.db2.gz XYEVVRSWOAGOQE-ZJSXRUAMSA-N 2 2 391.559 3.888 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@H](c3nnc([C@@H]4CCCN(c5cccc[nH+]5)C4)o3)C2)cc1 ZINC001255414307 1041006168 /nfs/dbraw/zinc/00/61/68/1041006168.db2.gz KYIWFNJUZVKBPE-WOJBJXKFSA-N 2 2 389.503 3.838 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@H](c3nnc([C@@H]4CCCN(c5cccc[nH+]5)C4)o3)C2)cc1 ZINC001255414307 1041006204 /nfs/dbraw/zinc/00/62/04/1041006204.db2.gz KYIWFNJUZVKBPE-WOJBJXKFSA-N 2 2 389.503 3.838 20 0 GHADLP Fc1cc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c2c(c1)CCCO2 ZINC001235648116 1041090160 /nfs/dbraw/zinc/09/01/60/1041090160.db2.gz FLQXPHRJNHNXMP-UHFFFAOYSA-N 2 2 398.526 3.785 20 0 GHADLP Fc1cc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c2c(c1)CCCO2 ZINC001235648116 1041090185 /nfs/dbraw/zinc/09/01/85/1041090185.db2.gz FLQXPHRJNHNXMP-UHFFFAOYSA-N 2 2 398.526 3.785 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCC[NH2+]C3CCCCC3)C[C@H]21 ZINC001235659864 1041111203 /nfs/dbraw/zinc/11/12/03/1041111203.db2.gz BZVFULGLKIOQBM-AGILITTLSA-N 3 2 384.612 3.926 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCC[NH2+]C3CCCCC3)C[C@H]21 ZINC001235659864 1041111225 /nfs/dbraw/zinc/11/12/25/1041111225.db2.gz BZVFULGLKIOQBM-AGILITTLSA-N 3 2 384.612 3.926 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CCC[NH2+]C3CCCCC3)C[C@H]21 ZINC001235659864 1041111250 /nfs/dbraw/zinc/11/12/50/1041111250.db2.gz BZVFULGLKIOQBM-AGILITTLSA-N 3 2 384.612 3.926 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CCC[NH2+]C3CCCCC3)C[C@H]21 ZINC001235659864 1041111271 /nfs/dbraw/zinc/11/12/71/1041111271.db2.gz BZVFULGLKIOQBM-AGILITTLSA-N 3 2 384.612 3.926 20 0 GHADLP CC1(C)[NH2+][C@@H](CC[NH+]2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)CO1 ZINC001235676170 1041134292 /nfs/dbraw/zinc/13/42/92/1041134292.db2.gz YXYFVBHMDICYJQ-AWEZNQCLSA-N 2 2 388.430 3.543 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC001235689664 1041161579 /nfs/dbraw/zinc/16/15/79/1041161579.db2.gz ABJVLJBLMPYQNL-UKRRQHHQSA-N 2 2 392.321 3.602 20 0 GHADLP C[C@H](CC(F)(F)F)[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001255653413 1041192995 /nfs/dbraw/zinc/19/29/95/1041192995.db2.gz ONBRMPFNLMZVNJ-GDBMZVCRSA-N 2 2 377.401 3.956 20 0 GHADLP C[C@H](CC(F)(F)F)[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001255653413 1041193004 /nfs/dbraw/zinc/19/30/04/1041193004.db2.gz ONBRMPFNLMZVNJ-GDBMZVCRSA-N 2 2 377.401 3.956 20 0 GHADLP C[C@H](CC(F)(F)F)[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001255653413 1041193010 /nfs/dbraw/zinc/19/30/10/1041193010.db2.gz ONBRMPFNLMZVNJ-GDBMZVCRSA-N 2 2 377.401 3.956 20 0 GHADLP C[C@H](CC(F)(F)F)[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001255653413 1041193020 /nfs/dbraw/zinc/19/30/20/1041193020.db2.gz ONBRMPFNLMZVNJ-GDBMZVCRSA-N 2 2 377.401 3.956 20 0 GHADLP Brc1cccc([C@H]2CN(Cc3ccc(-n4cc[nH+]c4)cc3)CC[NH2+]2)c1 ZINC001235790098 1041280771 /nfs/dbraw/zinc/28/07/71/1041280771.db2.gz DYNYXRVSPDDFBI-HXUWFJFHSA-N 2 2 397.320 3.781 20 0 GHADLP Cc1ccc2[nH+]cc(CN3CC[NH2+][C@H](c4cccc(Br)c4)C3)n2c1 ZINC001235795136 1041294270 /nfs/dbraw/zinc/29/42/70/1041294270.db2.gz YEWVQROZEOWBPH-SFHVURJKSA-N 2 2 385.309 3.552 20 0 GHADLP COCCC[N@H+](Cc1c[nH]c2cc(Br)ccc12)[C@H]1CCC[NH2+]C1 ZINC001235807751 1041315649 /nfs/dbraw/zinc/31/56/49/1041315649.db2.gz WBSOYCNDUYUMOJ-INIZCTEOSA-N 2 2 380.330 3.521 20 0 GHADLP COCCC[N@@H+](Cc1c[nH]c2cc(Br)ccc12)[C@H]1CCC[NH2+]C1 ZINC001235807751 1041315660 /nfs/dbraw/zinc/31/56/60/1041315660.db2.gz WBSOYCNDUYUMOJ-INIZCTEOSA-N 2 2 380.330 3.521 20 0 GHADLP COc1ccc(Oc2cccc(CN3CC[NH+](C4(C)CC[NH2+]CC4)CC3)c2)cc1 ZINC001235815092 1041329037 /nfs/dbraw/zinc/32/90/37/1041329037.db2.gz IYTSVTJIOOAINO-UHFFFAOYSA-N 2 2 395.547 3.747 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001235867747 1041401790 /nfs/dbraw/zinc/40/17/90/1041401790.db2.gz RZZMRPUZADHQGU-JSGCOSHPSA-N 2 2 378.294 3.606 20 0 GHADLP COc1cccc(OC)c1C[NH+]1CCC(N[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC001255922172 1041410804 /nfs/dbraw/zinc/41/08/04/1041410804.db2.gz VNTYCSYFLCDGHE-JOCHJYFZSA-N 2 2 397.563 3.561 20 0 GHADLP Cn1c2ccccc2c(C[N@H+](C2COC2)C2CC[NH2+]CC2)c1-c1ccccc1 ZINC001235927115 1041433452 /nfs/dbraw/zinc/43/34/52/1041433452.db2.gz CFZZDLSRWSWVDY-UHFFFAOYSA-N 2 2 375.516 3.798 20 0 GHADLP Cn1c2ccccc2c(C[N@@H+](C2COC2)C2CC[NH2+]CC2)c1-c1ccccc1 ZINC001235927115 1041433464 /nfs/dbraw/zinc/43/34/64/1041433464.db2.gz CFZZDLSRWSWVDY-UHFFFAOYSA-N 2 2 375.516 3.798 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)c1cccc(OC)c1 ZINC001255955051 1041434761 /nfs/dbraw/zinc/43/47/61/1041434761.db2.gz MZFGSJHNPFQNBL-PXNSSMCTSA-N 2 2 393.572 3.971 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c(C(F)(F)F)c1 ZINC001236010262 1041501714 /nfs/dbraw/zinc/50/17/14/1041501714.db2.gz QNDRUYPGKWXMAD-XLIONFOSSA-N 2 2 376.422 3.687 20 0 GHADLP COc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c(C(F)(F)F)c1 ZINC001236010262 1041501722 /nfs/dbraw/zinc/50/17/22/1041501722.db2.gz QNDRUYPGKWXMAD-XLIONFOSSA-N 2 2 376.422 3.687 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(F)(F)[C@]2(CC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256075460 1041509382 /nfs/dbraw/zinc/50/93/82/1041509382.db2.gz LNQVVINIDMACAU-FQEVSTJZSA-N 2 2 399.526 3.581 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(F)(F)[C@]2(CC[N@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256075460 1041509396 /nfs/dbraw/zinc/50/93/96/1041509396.db2.gz LNQVVINIDMACAU-FQEVSTJZSA-N 2 2 399.526 3.581 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CCCC[N@@H+]2C2CC[NH+](C3CC3)CC2)CC1 ZINC001256076646 1041511347 /nfs/dbraw/zinc/51/13/47/1041511347.db2.gz ZURYQSDVOXTDDF-UHFFFAOYSA-N 2 2 377.573 3.869 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CCCC[N@H+]2C2CC[NH+](C3CC3)CC2)CC1 ZINC001256076646 1041511351 /nfs/dbraw/zinc/51/13/51/1041511351.db2.gz ZURYQSDVOXTDDF-UHFFFAOYSA-N 2 2 377.573 3.869 20 0 GHADLP C[N@H+](Cc1cc(Br)c(Br)s1)C1(C)CC[NH2+]CC1 ZINC001236226106 1041632739 /nfs/dbraw/zinc/63/27/39/1041632739.db2.gz IMVQPMVZAPBUBC-UHFFFAOYSA-N 2 2 382.165 3.847 20 0 GHADLP C[N@@H+](Cc1cc(Br)c(Br)s1)C1(C)CC[NH2+]CC1 ZINC001236226106 1041632745 /nfs/dbraw/zinc/63/27/45/1041632745.db2.gz IMVQPMVZAPBUBC-UHFFFAOYSA-N 2 2 382.165 3.847 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@H+](C)[C@]3(C)CCC[NH2+]C3)c2n1 ZINC001236207098 1041619548 /nfs/dbraw/zinc/61/95/48/1041619548.db2.gz OSPJYKQOXBBOGT-GOSISDBHSA-N 2 2 378.314 3.580 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@@H+](C)[C@]3(C)CCC[NH2+]C3)c2n1 ZINC001236207098 1041619580 /nfs/dbraw/zinc/61/95/80/1041619580.db2.gz OSPJYKQOXBBOGT-GOSISDBHSA-N 2 2 378.314 3.580 20 0 GHADLP COc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc(OC)c1OCc1ccccc1 ZINC001236219357 1041627471 /nfs/dbraw/zinc/62/74/71/1041627471.db2.gz VLFDEHVOZFKQQV-UXHICEINSA-N 2 2 384.520 3.985 20 0 GHADLP COc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc(OC)c1OCc1ccccc1 ZINC001236219357 1041627480 /nfs/dbraw/zinc/62/74/80/1041627480.db2.gz VLFDEHVOZFKQQV-UXHICEINSA-N 2 2 384.520 3.985 20 0 GHADLP Cn1c2ccccc2c(Cl)c(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)c1=O ZINC001236300457 1041664642 /nfs/dbraw/zinc/66/46/42/1041664642.db2.gz CYRLWILJALKKPL-UHFFFAOYSA-N 2 2 395.934 3.946 20 0 GHADLP Cn1c2ccccc2c(Cl)c(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)c1=O ZINC001236300457 1041664651 /nfs/dbraw/zinc/66/46/51/1041664651.db2.gz CYRLWILJALKKPL-UHFFFAOYSA-N 2 2 395.934 3.946 20 0 GHADLP Clc1ccc(C[N@H+](Cc2cc3c(s2)C[NH2+]CC3)C2CC[NH2+]CC2)cc1 ZINC001236454120 1041719677 /nfs/dbraw/zinc/71/96/77/1041719677.db2.gz KKUFHAKXYMYOFV-UHFFFAOYSA-N 3 2 375.969 3.801 20 0 GHADLP Clc1ccc(C[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)C2CC[NH2+]CC2)cc1 ZINC001236454120 1041719682 /nfs/dbraw/zinc/71/96/82/1041719682.db2.gz KKUFHAKXYMYOFV-UHFFFAOYSA-N 3 2 375.969 3.801 20 0 GHADLP CCOCC[N@H+](Cc1c(C)nc2ccc(-c3ccccc3)cn21)C1CC[NH2+]CC1 ZINC001236465719 1041726900 /nfs/dbraw/zinc/72/69/00/1041726900.db2.gz RNNYOFFWGOEWQB-UHFFFAOYSA-N 2 2 392.547 3.900 20 0 GHADLP CCOCC[N@@H+](Cc1c(C)nc2ccc(-c3ccccc3)cn21)C1CC[NH2+]CC1 ZINC001236465719 1041726902 /nfs/dbraw/zinc/72/69/02/1041726902.db2.gz RNNYOFFWGOEWQB-UHFFFAOYSA-N 2 2 392.547 3.900 20 0 GHADLP COC(=O)c1ccc(C[N@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)cc1F ZINC001236521642 1041752222 /nfs/dbraw/zinc/75/22/22/1041752222.db2.gz MQZVDOKYWDXVOU-UHFFFAOYSA-N 2 2 388.458 3.814 20 0 GHADLP COC(=O)c1ccc(C[N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)cc1F ZINC001236521642 1041752229 /nfs/dbraw/zinc/75/22/29/1041752229.db2.gz MQZVDOKYWDXVOU-UHFFFAOYSA-N 2 2 388.458 3.814 20 0 GHADLP FC(F)(F)c1cccc(-n2cc(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)cn2)c1 ZINC001236600400 1041774330 /nfs/dbraw/zinc/77/43/30/1041774330.db2.gz HXRZPBMONIUNQN-OAHLLOKOSA-N 2 2 378.442 3.855 20 0 GHADLP FC(F)(F)c1cccc(-n2cc(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)cn2)c1 ZINC001236600400 1041774338 /nfs/dbraw/zinc/77/43/38/1041774338.db2.gz HXRZPBMONIUNQN-OAHLLOKOSA-N 2 2 378.442 3.855 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(Cc3ccc(OCc4ccccc4)c(Cl)c3)CC2)C1 ZINC001236615907 1041782508 /nfs/dbraw/zinc/78/25/08/1041782508.db2.gz KJQZBDFUFINYPJ-HXUWFJFHSA-N 2 2 399.966 3.916 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](C2CCN(Cc3ccc(OCc4ccccc4)c(Cl)c3)CC2)C1 ZINC001236615907 1041782510 /nfs/dbraw/zinc/78/25/10/1041782510.db2.gz KJQZBDFUFINYPJ-HXUWFJFHSA-N 2 2 399.966 3.916 20 0 GHADLP COc1ccc2sc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)cc2c1 ZINC001236657896 1041808198 /nfs/dbraw/zinc/80/81/98/1041808198.db2.gz LGJBQKCXMNMKPI-ROUUACIJSA-N 2 2 379.529 3.869 20 0 GHADLP Cc1c(F)ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1Cl ZINC001236711662 1041847918 /nfs/dbraw/zinc/84/79/18/1041847918.db2.gz VQCOISFJDXFLJE-UHFFFAOYSA-N 2 2 376.907 3.638 20 0 GHADLP Cc1c(F)ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1Cl ZINC001236711662 1041847923 /nfs/dbraw/zinc/84/79/23/1041847923.db2.gz VQCOISFJDXFLJE-UHFFFAOYSA-N 2 2 376.907 3.638 20 0 GHADLP COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)c1 ZINC001236926255 1041961595 /nfs/dbraw/zinc/96/15/95/1041961595.db2.gz DFVYOGGUUWEYNJ-GOSISDBHSA-N 2 2 384.867 3.583 20 0 GHADLP COc1ccnc(O[C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)c1 ZINC001236926255 1041961600 /nfs/dbraw/zinc/96/16/00/1041961600.db2.gz DFVYOGGUUWEYNJ-GOSISDBHSA-N 2 2 384.867 3.583 20 0 GHADLP CC(C)N1CC2(CC1=O)CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)CC2 ZINC001236929169 1041962041 /nfs/dbraw/zinc/96/20/41/1041962041.db2.gz PMEZIVXCAWRKKH-UHFFFAOYSA-N 2 2 386.927 3.749 20 0 GHADLP COc1cccnc1O[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236928110 1041962203 /nfs/dbraw/zinc/96/22/03/1041962203.db2.gz HXQUGCOHPXIWEL-QGZVFWFLSA-N 2 2 384.867 3.583 20 0 GHADLP COc1cccnc1O[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236928110 1041962204 /nfs/dbraw/zinc/96/22/04/1041962204.db2.gz HXQUGCOHPXIWEL-QGZVFWFLSA-N 2 2 384.867 3.583 20 0 GHADLP Oc1c(F)cc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)cc1Br ZINC001236961634 1041970825 /nfs/dbraw/zinc/97/08/25/1041970825.db2.gz FUIKRCXKJOLKLE-UHFFFAOYSA-N 2 2 385.321 3.896 20 0 GHADLP FC(F)(F)[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc2c(s1)C[NH2+]CC2 ZINC001237014056 1041990668 /nfs/dbraw/zinc/99/06/68/1041990668.db2.gz BWXPOUKDXROYNL-LJQANCHMSA-N 2 2 395.494 3.643 20 0 GHADLP FC(F)(F)[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc2c(s1)C[NH2+]CC2 ZINC001237014056 1041990672 /nfs/dbraw/zinc/99/06/72/1041990672.db2.gz BWXPOUKDXROYNL-LJQANCHMSA-N 2 2 395.494 3.643 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCN(c2ccc(F)c(Cl)c2Cl)CC1 ZINC001237192028 1042087128 /nfs/dbraw/zinc/08/71/28/1042087128.db2.gz RSCWXUMYMUKVJX-NWDGAFQWSA-N 2 2 396.284 3.745 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(O)c(C)cc2Br)CC1 ZINC001237298485 1042130916 /nfs/dbraw/zinc/13/09/16/1042130916.db2.gz OBPHNUUYPYGOGG-UHFFFAOYSA-N 2 2 390.325 3.906 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3c(C)cc(Cl)cc3C)CC2)C1 ZINC001237352800 1042163441 /nfs/dbraw/zinc/16/34/41/1042163441.db2.gz JHMHWUAUZMCCOD-QGZVFWFLSA-N 2 2 378.944 3.806 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c(C)cc(Cl)cc3C)CC2)C1 ZINC001237352800 1042163446 /nfs/dbraw/zinc/16/34/46/1042163446.db2.gz JHMHWUAUZMCCOD-QGZVFWFLSA-N 2 2 378.944 3.806 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1ccn3nccc3c1)C2 ZINC001237536749 1042255091 /nfs/dbraw/zinc/25/50/91/1042255091.db2.gz ARZIDPVOYFFKBM-UHFFFAOYSA-N 2 2 387.487 3.513 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1ccn3nccc3c1)C2 ZINC001237536749 1042255097 /nfs/dbraw/zinc/25/50/97/1042255097.db2.gz ARZIDPVOYFFKBM-UHFFFAOYSA-N 2 2 387.487 3.513 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1ccn3nccc3c1)C2 ZINC001237536749 1042255101 /nfs/dbraw/zinc/25/51/01/1042255101.db2.gz ARZIDPVOYFFKBM-UHFFFAOYSA-N 2 2 387.487 3.513 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1ccn3nccc3c1)C2 ZINC001237536749 1042255105 /nfs/dbraw/zinc/25/51/05/1042255105.db2.gz ARZIDPVOYFFKBM-UHFFFAOYSA-N 2 2 387.487 3.513 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc4nccc(C)c34)CC2)CC1 ZINC001237627635 1042293943 /nfs/dbraw/zinc/29/39/43/1042293943.db2.gz VCPLOJDBWYEYAQ-UHFFFAOYSA-N 2 2 395.547 3.783 20 0 GHADLP CCc1cc(Br)ccc1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001237744755 1042349546 /nfs/dbraw/zinc/34/95/46/1042349546.db2.gz ISCNWFQWTVCJKH-UHFFFAOYSA-N 2 2 380.330 3.642 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1 ZINC001238108406 1042494198 /nfs/dbraw/zinc/49/41/98/1042494198.db2.gz VSYFBTSMGNSYEB-RXVVDRJESA-N 2 2 388.487 3.505 20 0 GHADLP Cc1cc(Br)ccc1N1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238111276 1042494804 /nfs/dbraw/zinc/49/48/04/1042494804.db2.gz SVCUZYJXIALTBV-UHFFFAOYSA-N 2 2 385.309 3.727 20 0 GHADLP COc1c(C)c[nH+]c(CN2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c1C ZINC001238176251 1042509546 /nfs/dbraw/zinc/50/95/46/1042509546.db2.gz NBSWYGLLWWEAAC-UHFFFAOYSA-N 2 2 395.547 3.574 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(Cl)c(C)c3C)C2)C1 ZINC001238210902 1042520726 /nfs/dbraw/zinc/52/07/26/1042520726.db2.gz CABXBCCBAVSJPI-OAQYLSRUSA-N 2 2 380.960 3.518 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(Cl)c(C)c3C)C2)C1 ZINC001238210902 1042520728 /nfs/dbraw/zinc/52/07/28/1042520728.db2.gz CABXBCCBAVSJPI-OAQYLSRUSA-N 2 2 380.960 3.518 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(Cl)c(C)c3C)C2)C1 ZINC001238210902 1042520732 /nfs/dbraw/zinc/52/07/32/1042520732.db2.gz CABXBCCBAVSJPI-OAQYLSRUSA-N 2 2 380.960 3.518 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(Cl)c(C)c3C)C2)C1 ZINC001238210902 1042520736 /nfs/dbraw/zinc/52/07/36/1042520736.db2.gz CABXBCCBAVSJPI-OAQYLSRUSA-N 2 2 380.960 3.518 20 0 GHADLP Cc1cc(Cl)c(Cl)cc1C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001238254676 1042534015 /nfs/dbraw/zinc/53/40/15/1042534015.db2.gz JVFLSERLDVPGDF-AEFFLSMTSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1cc(Cl)c(Cl)cc1C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001238254676 1042534019 /nfs/dbraw/zinc/53/40/19/1042534019.db2.gz JVFLSERLDVPGDF-AEFFLSMTSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1cc(Cl)c(Cl)cc1C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001238254676 1042534025 /nfs/dbraw/zinc/53/40/25/1042534025.db2.gz JVFLSERLDVPGDF-AEFFLSMTSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001238254676 1042534028 /nfs/dbraw/zinc/53/40/28/1042534028.db2.gz JVFLSERLDVPGDF-AEFFLSMTSA-N 2 2 393.362 3.989 20 0 GHADLP CC(C)Oc1c(F)cccc1C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001238321224 1042556707 /nfs/dbraw/zinc/55/67/07/1042556707.db2.gz KBHPNYMEXVKLSP-NFBKMPQASA-N 2 2 390.543 3.793 20 0 GHADLP CC(C)Oc1c(F)cccc1C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001238321224 1042556709 /nfs/dbraw/zinc/55/67/09/1042556709.db2.gz KBHPNYMEXVKLSP-NFBKMPQASA-N 2 2 390.543 3.793 20 0 GHADLP CC(C)Oc1c(F)cccc1C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001238321224 1042556714 /nfs/dbraw/zinc/55/67/14/1042556714.db2.gz KBHPNYMEXVKLSP-NFBKMPQASA-N 2 2 390.543 3.793 20 0 GHADLP CC(C)Oc1c(F)cccc1C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001238321224 1042556715 /nfs/dbraw/zinc/55/67/15/1042556715.db2.gz KBHPNYMEXVKLSP-NFBKMPQASA-N 2 2 390.543 3.793 20 0 GHADLP CCOc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)c(Cl)c1 ZINC001238397712 1042583760 /nfs/dbraw/zinc/58/37/60/1042583760.db2.gz VJCYLGDHKHCQNC-KNQAVFIVSA-N 2 2 392.971 3.919 20 0 GHADLP CCOc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)c(Cl)c1 ZINC001238397712 1042583763 /nfs/dbraw/zinc/58/37/63/1042583763.db2.gz VJCYLGDHKHCQNC-KNQAVFIVSA-N 2 2 392.971 3.919 20 0 GHADLP CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c(Cl)c1 ZINC001238397712 1042583765 /nfs/dbraw/zinc/58/37/65/1042583765.db2.gz VJCYLGDHKHCQNC-KNQAVFIVSA-N 2 2 392.971 3.919 20 0 GHADLP CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)c(Cl)c1 ZINC001238397712 1042583768 /nfs/dbraw/zinc/58/37/68/1042583768.db2.gz VJCYLGDHKHCQNC-KNQAVFIVSA-N 2 2 392.971 3.919 20 0 GHADLP Fc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1-c1ccncc1 ZINC001238563190 1042641468 /nfs/dbraw/zinc/64/14/68/1042641468.db2.gz ZMWUMRNRYJUFKY-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1-c1ccncc1 ZINC001238563190 1042641470 /nfs/dbraw/zinc/64/14/70/1042641470.db2.gz ZMWUMRNRYJUFKY-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1-c1ccncc1 ZINC001238563190 1042641471 /nfs/dbraw/zinc/64/14/71/1042641471.db2.gz ZMWUMRNRYJUFKY-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1-c1ccncc1 ZINC001238563190 1042641472 /nfs/dbraw/zinc/64/14/72/1042641472.db2.gz ZMWUMRNRYJUFKY-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)cnc1C1CC1 ZINC001238621363 1042662207 /nfs/dbraw/zinc/66/22/07/1042662207.db2.gz KFKDFQIQWMPLJL-UHFFFAOYSA-N 2 2 379.552 3.632 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)cnc1C1CC1 ZINC001238621363 1042662210 /nfs/dbraw/zinc/66/22/10/1042662210.db2.gz KFKDFQIQWMPLJL-UHFFFAOYSA-N 2 2 379.552 3.632 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)cc(SC)c3)CC2)C1 ZINC001238676802 1042681051 /nfs/dbraw/zinc/68/10/51/1042681051.db2.gz FCCKRDOVYMFFLT-IBGZPJMESA-N 2 2 390.593 3.956 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)cc(SC)c3)CC2)C1 ZINC001238676802 1042681054 /nfs/dbraw/zinc/68/10/54/1042681054.db2.gz FCCKRDOVYMFFLT-IBGZPJMESA-N 2 2 390.593 3.956 20 0 GHADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3ccc(F)c(Cl)c3F)C2)C1 ZINC001278308433 1042894529 /nfs/dbraw/zinc/89/45/29/1042894529.db2.gz NDICYQADQHTKJB-HXUWFJFHSA-N 2 2 385.930 3.858 20 0 GHADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3ccc(F)c(Cl)c3F)C2)C1 ZINC001278308433 1042894533 /nfs/dbraw/zinc/89/45/33/1042894533.db2.gz NDICYQADQHTKJB-HXUWFJFHSA-N 2 2 385.930 3.858 20 0 GHADLP Cc1ccc(C[NH+]2CCCC2)cc1-c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001240451886 1042931670 /nfs/dbraw/zinc/93/16/70/1042931670.db2.gz IUUVFCVIIUTSRJ-UHFFFAOYSA-N 2 2 380.532 3.969 20 0 GHADLP CC[NH+](CC)Cc1cc(-c2ccc(OCC[NH+]3CCOCC3)cc2)ccc1OC ZINC001240452426 1042931685 /nfs/dbraw/zinc/93/16/85/1042931685.db2.gz WHXPOHKUIWVYJW-UHFFFAOYSA-N 2 2 398.547 3.915 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256556144 1043524308 /nfs/dbraw/zinc/52/43/08/1043524308.db2.gz XGQHDQOPRPBTGF-FDDCHVKYSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256556144 1043524321 /nfs/dbraw/zinc/52/43/21/1043524321.db2.gz XGQHDQOPRPBTGF-FDDCHVKYSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)C[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256556144 1043524325 /nfs/dbraw/zinc/52/43/25/1043524325.db2.gz XGQHDQOPRPBTGF-FDDCHVKYSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)C[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256556144 1043524334 /nfs/dbraw/zinc/52/43/34/1043524334.db2.gz XGQHDQOPRPBTGF-FDDCHVKYSA-N 2 2 378.516 3.884 20 0 GHADLP C[NH+]1CCC(N(Cc2ccc(F)cc2)C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC001256595728 1043561940 /nfs/dbraw/zinc/56/19/40/1043561940.db2.gz MLHPYLNAHLOAQW-UHFFFAOYSA-N 2 2 396.554 3.782 20 0 GHADLP C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001292111998 1043596733 /nfs/dbraw/zinc/59/67/33/1043596733.db2.gz BSJUYWQNVOKLLL-UHFFFAOYSA-N 2 2 397.567 3.579 20 0 GHADLP c1ccc([C@@H]2C[C@@H]([NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)CCO2)cc1 ZINC001256807365 1043662289 /nfs/dbraw/zinc/66/22/89/1043662289.db2.gz AGYXIDACJKCKPM-SBFWRKJZSA-N 2 2 377.532 3.756 20 0 GHADLP c1ccc([C@@H]2C[C@@H]([NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)CCO2)cc1 ZINC001256807365 1043662299 /nfs/dbraw/zinc/66/22/99/1043662299.db2.gz AGYXIDACJKCKPM-SBFWRKJZSA-N 2 2 377.532 3.756 20 0 GHADLP c1ccc([C@@H]2C[C@@H]([N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)CCO2)cc1 ZINC001256807365 1043662309 /nfs/dbraw/zinc/66/23/09/1043662309.db2.gz AGYXIDACJKCKPM-SBFWRKJZSA-N 2 2 377.532 3.756 20 0 GHADLP c1ccc([C@@H]2C[C@@H]([N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)CCO2)cc1 ZINC001256807365 1043662319 /nfs/dbraw/zinc/66/23/19/1043662319.db2.gz AGYXIDACJKCKPM-SBFWRKJZSA-N 2 2 377.532 3.756 20 0 GHADLP FC(F)(F)c1cccnc1N1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC001256884244 1043720849 /nfs/dbraw/zinc/72/08/49/1043720849.db2.gz ZDSDSPGMMZDOBQ-MRXNPFEDSA-N 2 2 382.474 3.676 20 0 GHADLP FC(F)(F)c1cccnc1N1CCC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC001256884244 1043720860 /nfs/dbraw/zinc/72/08/60/1043720860.db2.gz ZDSDSPGMMZDOBQ-MRXNPFEDSA-N 2 2 382.474 3.676 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)C1 ZINC001257037404 1043813452 /nfs/dbraw/zinc/81/34/52/1043813452.db2.gz CDFPOZYDQSRVBK-CABCVRRESA-N 2 2 384.442 3.687 20 0 GHADLP CCOC(=O)c1cc2cc(N3CC[NH+](C4CC[NH+](C(C)C)CC4)CC3)ccc2o1 ZINC001257224008 1043941297 /nfs/dbraw/zinc/94/12/97/1043941297.db2.gz MEERXNCBYONXQU-UHFFFAOYSA-N 2 2 399.535 3.604 20 0 GHADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH+]ccc2Nc2ccccc2)C1 ZINC001293349211 1044128791 /nfs/dbraw/zinc/12/87/91/1044128791.db2.gz ATEGGAKFTXVGSG-SFHVURJKSA-N 2 2 380.536 3.878 20 0 GHADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c[nH+]ccc2Nc2ccccc2)C1 ZINC001293349211 1044128800 /nfs/dbraw/zinc/12/88/00/1044128800.db2.gz ATEGGAKFTXVGSG-SFHVURJKSA-N 2 2 380.536 3.878 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@H]21 ZINC001257774312 1044164925 /nfs/dbraw/zinc/16/49/25/1044164925.db2.gz QZWHMRTUTDJOEO-TVJQWHPQSA-N 2 2 391.600 3.972 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@H]21 ZINC001257774312 1044164931 /nfs/dbraw/zinc/16/49/31/1044164931.db2.gz QZWHMRTUTDJOEO-TVJQWHPQSA-N 2 2 391.600 3.972 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@H]21 ZINC001257774312 1044164934 /nfs/dbraw/zinc/16/49/34/1044164934.db2.gz QZWHMRTUTDJOEO-TVJQWHPQSA-N 2 2 391.600 3.972 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@H]21 ZINC001257774312 1044164942 /nfs/dbraw/zinc/16/49/42/1044164942.db2.gz QZWHMRTUTDJOEO-TVJQWHPQSA-N 2 2 391.600 3.972 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([N@@H+]1Cc3ccccc3C[C@@H]1C[NH3+])C2 ZINC001257808810 1044190833 /nfs/dbraw/zinc/19/08/33/1044190833.db2.gz RZWIMETYIXUKHR-IMSXRSKXSA-N 2 2 399.579 3.942 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([N@H+]1Cc3ccccc3C[C@@H]1C[NH3+])C2 ZINC001257808810 1044190838 /nfs/dbraw/zinc/19/08/38/1044190838.db2.gz RZWIMETYIXUKHR-IMSXRSKXSA-N 2 2 399.579 3.942 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]43)CC2)cc1 ZINC001258149128 1044438841 /nfs/dbraw/zinc/43/88/41/1044438841.db2.gz ZDIRPBLZBAQOPD-AOYPEHQESA-N 2 2 389.587 3.900 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]43)CC2)cc1 ZINC001258149128 1044438847 /nfs/dbraw/zinc/43/88/47/1044438847.db2.gz ZDIRPBLZBAQOPD-AOYPEHQESA-N 2 2 389.587 3.900 20 0 GHADLP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258149900 1044440808 /nfs/dbraw/zinc/44/08/08/1044440808.db2.gz SQTGHIGTEDUFGV-UHFFFAOYSA-N 3 2 378.564 3.656 20 0 GHADLP C[C@H](Cc1ccco1)[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001258191489 1044464262 /nfs/dbraw/zinc/46/42/62/1044464262.db2.gz GLCJBGCDDUSWKL-YLJYHZDGSA-N 2 2 375.463 3.839 20 0 GHADLP C[C@H](Cc1ccco1)[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001258191489 1044464265 /nfs/dbraw/zinc/46/42/65/1044464265.db2.gz GLCJBGCDDUSWKL-YLJYHZDGSA-N 2 2 375.463 3.839 20 0 GHADLP C[C@H](Cc1ccco1)[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001258191489 1044464268 /nfs/dbraw/zinc/46/42/68/1044464268.db2.gz GLCJBGCDDUSWKL-YLJYHZDGSA-N 2 2 375.463 3.839 20 0 GHADLP C[C@H](Cc1ccco1)[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001258191489 1044464276 /nfs/dbraw/zinc/46/42/76/1044464276.db2.gz GLCJBGCDDUSWKL-YLJYHZDGSA-N 2 2 375.463 3.839 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@H](C)CC(C)(C)SC)CC2)cc1 ZINC001258328724 1044507498 /nfs/dbraw/zinc/50/74/98/1044507498.db2.gz YCHVDRNJFHDMKU-MRXNPFEDSA-N 2 2 378.582 3.947 20 0 GHADLP CCC[NH+]1CCC([NH2+]Cc2cc(F)c(OCC3CCOCC3)c(F)c2)CC1 ZINC001258770235 1044756552 /nfs/dbraw/zinc/75/65/52/1044756552.db2.gz VIPBSXVTAIYSMJ-UHFFFAOYSA-N 2 2 382.495 3.734 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001258774989 1044759377 /nfs/dbraw/zinc/75/93/77/1044759377.db2.gz WARXNUQTPFSYSD-HSZRJFAPSA-N 3 2 385.596 3.616 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001258774989 1044759390 /nfs/dbraw/zinc/75/93/90/1044759390.db2.gz WARXNUQTPFSYSD-HSZRJFAPSA-N 3 2 385.596 3.616 20 0 GHADLP C[C@@H](C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@H]([NH3+])c1ccccc1 ZINC001261502749 1046012073 /nfs/dbraw/zinc/01/20/73/1046012073.db2.gz XDSWUOYZDRWXPU-ZHRRBRCNSA-N 2 2 391.519 3.823 20 0 GHADLP FC(F)(F)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1scc2c1OCCO2 ZINC001279134968 1047728850 /nfs/dbraw/zinc/72/88/50/1047728850.db2.gz ZEBIMCQQLPMULT-AGUYFDCRSA-N 2 2 390.471 3.947 20 0 GHADLP FC(F)(F)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1scc2c1OCCO2 ZINC001279134968 1047728852 /nfs/dbraw/zinc/72/88/52/1047728852.db2.gz ZEBIMCQQLPMULT-AGUYFDCRSA-N 2 2 390.471 3.947 20 0 GHADLP C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(-n3cc[nH+]c3)c(Br)c1)C2 ZINC001279331910 1047770280 /nfs/dbraw/zinc/77/02/80/1047770280.db2.gz YGBDWGHHCQEOIG-LJQANCHMSA-N 2 2 389.341 3.553 20 0 GHADLP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(-n3cc[nH+]c3)c(Br)c1)C2 ZINC001279331910 1047770283 /nfs/dbraw/zinc/77/02/83/1047770283.db2.gz YGBDWGHHCQEOIG-LJQANCHMSA-N 2 2 389.341 3.553 20 0 GHADLP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3cccc(F)c3Br)(C1)CCC2 ZINC001279408323 1047796801 /nfs/dbraw/zinc/79/68/01/1047796801.db2.gz FYLBYNBQMHFVDG-RBUKOAKNSA-N 2 2 398.364 3.674 20 0 GHADLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)c(F)cc1F)CC2 ZINC001279428444 1047803497 /nfs/dbraw/zinc/80/34/97/1047803497.db2.gz HBDPEENDLDSPIC-UHFFFAOYSA-N 2 2 381.467 3.967 20 0 GHADLP Brc1sccc1C[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001279515198 1047830804 /nfs/dbraw/zinc/83/08/04/1047830804.db2.gz JYMWUYVWQGBION-UHFFFAOYSA-N 2 2 380.355 3.937 20 0 GHADLP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)ncc1O)CC2 ZINC001279682780 1047912888 /nfs/dbraw/zinc/91/28/88/1047912888.db2.gz JRTLNVLYDIVNDC-UHFFFAOYSA-N 2 2 392.956 3.694 20 0 GHADLP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)ncc1O)CC2 ZINC001279682780 1047912892 /nfs/dbraw/zinc/91/28/92/1047912892.db2.gz JRTLNVLYDIVNDC-UHFFFAOYSA-N 2 2 392.956 3.694 20 0 GHADLP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)c(F)c1F)CC2 ZINC001279712249 1047930970 /nfs/dbraw/zinc/93/09/70/1047930970.db2.gz PZBCAZSUOAHVMN-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)c(F)c1F)CC2 ZINC001279712249 1047930974 /nfs/dbraw/zinc/93/09/74/1047930974.db2.gz PZBCAZSUOAHVMN-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](C)CC(C)(C)C3)CC2)cc1 ZINC001307605750 1049443750 /nfs/dbraw/zinc/44/37/50/1049443750.db2.gz AXYWDQFLOYUGIA-FQEVSTJZSA-N 2 2 385.596 3.822 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](C)CC(C)(C)C3)CC2)cc1 ZINC001307605750 1049443755 /nfs/dbraw/zinc/44/37/55/1049443755.db2.gz AXYWDQFLOYUGIA-FQEVSTJZSA-N 2 2 385.596 3.822 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H]3CCN(c4ccc(C)cc4)C3=O)C2)s1 ZINC001307750354 1049564283 /nfs/dbraw/zinc/56/42/83/1049564283.db2.gz IJJLBTWYSMAHCI-SIKLNZKXSA-N 2 2 397.588 3.924 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H]3CCN(c4ccc(C)cc4)C3=O)C2)s1 ZINC001307750354 1049564295 /nfs/dbraw/zinc/56/42/95/1049564295.db2.gz IJJLBTWYSMAHCI-SIKLNZKXSA-N 2 2 397.588 3.924 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H]3CCN(c4ccc(C)cc4)C3=O)C2)s1 ZINC001307750354 1049564306 /nfs/dbraw/zinc/56/43/06/1049564306.db2.gz IJJLBTWYSMAHCI-SIKLNZKXSA-N 2 2 397.588 3.924 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H]3CCN(c4ccc(C)cc4)C3=O)C2)s1 ZINC001307750354 1049564315 /nfs/dbraw/zinc/56/43/15/1049564315.db2.gz IJJLBTWYSMAHCI-SIKLNZKXSA-N 2 2 397.588 3.924 20 0 GHADLP Cc1ccccc1OCCC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001308107642 1049853565 /nfs/dbraw/zinc/85/35/65/1049853565.db2.gz QMDNNXWHDZKLQK-UHFFFAOYSA-N 2 2 382.548 3.988 20 0 GHADLP Cc1ccccc1OCCC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001308107642 1049853575 /nfs/dbraw/zinc/85/35/75/1049853575.db2.gz QMDNNXWHDZKLQK-UHFFFAOYSA-N 2 2 382.548 3.988 20 0 GHADLP Cc1ccccc1OCCC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001308107642 1049853589 /nfs/dbraw/zinc/85/35/89/1049853589.db2.gz QMDNNXWHDZKLQK-UHFFFAOYSA-N 2 2 382.548 3.988 20 0 GHADLP Cc1ccccc1OCCC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001308107642 1049853602 /nfs/dbraw/zinc/85/36/02/1049853602.db2.gz QMDNNXWHDZKLQK-UHFFFAOYSA-N 2 2 382.548 3.988 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3cn4cc(Cl)ccc4n3)cc2)C[C@H](C)O1 ZINC001308196066 1049908270 /nfs/dbraw/zinc/90/82/70/1049908270.db2.gz AOTLMDLCVFSWLG-CALCHBBNSA-N 2 2 398.938 3.887 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cn4cc(Cl)ccc4n3)cc2)C[C@H](C)O1 ZINC001308196066 1049908273 /nfs/dbraw/zinc/90/82/73/1049908273.db2.gz AOTLMDLCVFSWLG-CALCHBBNSA-N 2 2 398.938 3.887 20 0 GHADLP CSCc1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001308227664 1049920052 /nfs/dbraw/zinc/92/00/52/1049920052.db2.gz NZSDTGWVOWANSW-UHFFFAOYSA-N 2 2 386.561 3.550 20 0 GHADLP C[C@](O)(C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1ccsc1 ZINC001308277621 1049935230 /nfs/dbraw/zinc/93/52/30/1049935230.db2.gz KVRIWDBJCXDPID-IBGZPJMESA-N 2 2 391.924 3.674 20 0 GHADLP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC001308802996 1050100378 /nfs/dbraw/zinc/10/03/78/1050100378.db2.gz QVTOMZJQVAGETN-ATZDWAIDSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC001308802996 1050100382 /nfs/dbraw/zinc/10/03/82/1050100382.db2.gz QVTOMZJQVAGETN-ATZDWAIDSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[N@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC001308802996 1050100385 /nfs/dbraw/zinc/10/03/85/1050100385.db2.gz QVTOMZJQVAGETN-ATZDWAIDSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC001308802996 1050100388 /nfs/dbraw/zinc/10/03/88/1050100388.db2.gz QVTOMZJQVAGETN-ATZDWAIDSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)CC1 ZINC001308840996 1050118712 /nfs/dbraw/zinc/11/87/12/1050118712.db2.gz QFUFJESJZLJVDM-MOPGFXCFSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2)CC1 ZINC001308840996 1050118713 /nfs/dbraw/zinc/11/87/13/1050118713.db2.gz QFUFJESJZLJVDM-MOPGFXCFSA-N 2 2 377.573 3.773 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001308841815 1050119315 /nfs/dbraw/zinc/11/93/15/1050119315.db2.gz ZNHOGQJSMZEXPU-BVYCBKJFSA-N 2 2 397.563 3.838 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001308841815 1050119320 /nfs/dbraw/zinc/11/93/20/1050119320.db2.gz ZNHOGQJSMZEXPU-BVYCBKJFSA-N 2 2 397.563 3.838 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@H](Cn3cc[nH+]c3)c3ccccc3)C2)C1 ZINC001332021671 1051440460 /nfs/dbraw/zinc/44/04/60/1051440460.db2.gz PENOTYMZTFCWEX-LJQANCHMSA-N 2 2 382.508 3.614 20 0 GHADLP CC[C@@H]1CN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC001310807175 1051606812 /nfs/dbraw/zinc/60/68/12/1051606812.db2.gz TWSAYQUFWUJBHE-HXUWFJFHSA-N 2 2 377.492 3.771 20 0 GHADLP CC[C@@H]1CN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC001310807175 1051606824 /nfs/dbraw/zinc/60/68/24/1051606824.db2.gz TWSAYQUFWUJBHE-HXUWFJFHSA-N 2 2 377.492 3.771 20 0 GHADLP [NH3+]C[C@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)c1ccc2ccccc2c1 ZINC001335587804 1052134497 /nfs/dbraw/zinc/13/44/97/1052134497.db2.gz GIBLTXPQEJSCOS-NRFANRHFSA-N 2 2 389.503 3.521 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001312641782 1052821366 /nfs/dbraw/zinc/82/13/66/1052821366.db2.gz MVXJDUVNLPCUJG-PKOBYXMFSA-N 2 2 389.588 3.648 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001312641782 1052821370 /nfs/dbraw/zinc/82/13/70/1052821370.db2.gz MVXJDUVNLPCUJG-PKOBYXMFSA-N 2 2 389.588 3.648 20 0 GHADLP Cc1cc(CNC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)cc(C)[nH+]1 ZINC001312893157 1052904491 /nfs/dbraw/zinc/90/44/91/1052904491.db2.gz PKESMWCDJIMUDZ-UHFFFAOYSA-N 2 2 392.547 3.995 20 0 GHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(C)c4[nH+]ccn4c3)CC2)cc1 ZINC001344482897 1054510324 /nfs/dbraw/zinc/51/03/24/1054510324.db2.gz IFUPZZFGILSTGS-UHFFFAOYSA-N 2 2 377.492 3.691 20 0 GHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc(C)c4[nH+]ccn4c3)CC2)cc1 ZINC001344482897 1054510336 /nfs/dbraw/zinc/51/03/36/1054510336.db2.gz IFUPZZFGILSTGS-UHFFFAOYSA-N 2 2 377.492 3.691 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC001319179162 1055081845 /nfs/dbraw/zinc/08/18/45/1055081845.db2.gz ZFFUKZCVDZFCIS-NNWRFLSQSA-N 2 2 380.536 3.656 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC001319179162 1055081857 /nfs/dbraw/zinc/08/18/57/1055081857.db2.gz ZFFUKZCVDZFCIS-NNWRFLSQSA-N 2 2 380.536 3.656 20 0 GHADLP Cn1cc([C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c2ccccc2)cn1 ZINC001320091721 1055649692 /nfs/dbraw/zinc/64/96/92/1055649692.db2.gz KZIHDRALXFCAJK-XMMPIXPASA-N 2 2 389.547 3.834 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC001324042888 1057060284 /nfs/dbraw/zinc/06/02/84/1057060284.db2.gz SRKRRMPKWVYODW-HNNXBMFYSA-N 2 2 381.867 3.694 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3cc(-c4ccc(Br)cc4)cn3)CC[C@H]21 ZINC000848481766 1057118235 /nfs/dbraw/zinc/11/82/35/1057118235.db2.gz GAEPJIVBFKJNMM-QFBILLFUSA-N 2 2 389.341 3.686 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3cc(-c4ccc(Br)cc4)cn3)CC[C@H]21 ZINC000848481766 1057118240 /nfs/dbraw/zinc/11/82/40/1057118240.db2.gz GAEPJIVBFKJNMM-QFBILLFUSA-N 2 2 389.341 3.686 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3cc(-c4ccc(Br)cc4)cn3)CC[C@H]21 ZINC000848481766 1057118241 /nfs/dbraw/zinc/11/82/41/1057118241.db2.gz GAEPJIVBFKJNMM-QFBILLFUSA-N 2 2 389.341 3.686 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3cc(-c4ccc(Br)cc4)cn3)CC[C@H]21 ZINC000848481766 1057118247 /nfs/dbraw/zinc/11/82/47/1057118247.db2.gz GAEPJIVBFKJNMM-QFBILLFUSA-N 2 2 389.341 3.686 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(Br)c1OC ZINC000848575373 1057189036 /nfs/dbraw/zinc/18/90/36/1057189036.db2.gz PKWXUPQNUFGZBA-CVEARBPZSA-N 2 2 383.330 3.573 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc(Br)c1OC ZINC000848575373 1057189041 /nfs/dbraw/zinc/18/90/41/1057189041.db2.gz PKWXUPQNUFGZBA-CVEARBPZSA-N 2 2 383.330 3.573 20 0 GHADLP CC[N@@H+](Cc1ccc(/C=C/C(=O)OC)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000848888179 1057397397 /nfs/dbraw/zinc/39/73/97/1057397397.db2.gz OAQRQZJIUPEQEO-MDZDMXLPSA-N 2 2 383.492 3.599 20 0 GHADLP CC[N@H+](Cc1ccc(/C=C/C(=O)OC)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000848888179 1057397403 /nfs/dbraw/zinc/39/74/03/1057397403.db2.gz OAQRQZJIUPEQEO-MDZDMXLPSA-N 2 2 383.492 3.599 20 0 GHADLP CC[C@H](C)c1nc(C)c(CC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(C)n1 ZINC001326779797 1057555836 /nfs/dbraw/zinc/55/58/36/1057555836.db2.gz DIHNUQAOVBNRBE-ZDUSSCGKSA-N 2 2 378.480 3.677 20 0 GHADLP CC[C@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC001441234076 1058728922 /nfs/dbraw/zinc/72/89/22/1058728922.db2.gz BTZRSNKLLRABBZ-YADHBBJMSA-N 2 2 399.966 3.896 20 0 GHADLP CC[C@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC001441234076 1058728937 /nfs/dbraw/zinc/72/89/37/1058728937.db2.gz BTZRSNKLLRABBZ-YADHBBJMSA-N 2 2 399.966 3.896 20 0 GHADLP Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001338768359 1058773779 /nfs/dbraw/zinc/77/37/79/1058773779.db2.gz XPZBECCUXIUUFJ-UHFFFAOYSA-N 2 2 394.385 3.600 20 0 GHADLP COc1ccc(CC[C@@H](C)[NH2+]c2ccc(N3CC[NH+](C)CC3)c(C)c2)cc1O ZINC001339006362 1058921500 /nfs/dbraw/zinc/92/15/00/1058921500.db2.gz JEICFMULSNIOLK-GOSISDBHSA-N 2 2 383.536 3.894 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCC(C)(C)C[C@@H]3c3ccccc3)C2)CC1 ZINC001443746181 1059191869 /nfs/dbraw/zinc/19/18/69/1059191869.db2.gz YXABXXGOQMLDCU-ACIOBRDBSA-N 2 2 397.607 3.881 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCC(C)(C)C[C@@H]3c3ccccc3)C2)CC1 ZINC001443746181 1059191878 /nfs/dbraw/zinc/19/18/78/1059191878.db2.gz YXABXXGOQMLDCU-ACIOBRDBSA-N 2 2 397.607 3.881 20 0 GHADLP CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001340959079 1060287189 /nfs/dbraw/zinc/28/71/89/1060287189.db2.gz KHWCHAZZTYFEMS-HXUWFJFHSA-N 2 2 399.587 3.585 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC001341686239 1060812020 /nfs/dbraw/zinc/81/20/20/1060812020.db2.gz LCXBEEKAMCADTK-QGZVFWFLSA-N 2 2 387.572 3.544 20 0 GHADLP O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001452746424 1060999887 /nfs/dbraw/zinc/99/98/87/1060999887.db2.gz GUVFTBLJCRQPMZ-JOCHJYFZSA-N 2 2 387.487 3.635 20 0 GHADLP O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001452746424 1060999894 /nfs/dbraw/zinc/99/98/94/1060999894.db2.gz GUVFTBLJCRQPMZ-JOCHJYFZSA-N 2 2 387.487 3.635 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)C1 ZINC001342079605 1061044070 /nfs/dbraw/zinc/04/40/70/1061044070.db2.gz KVENAHPYTCCKAD-PKOBYXMFSA-N 2 2 394.519 3.660 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001455460064 1062165484 /nfs/dbraw/zinc/16/54/84/1062165484.db2.gz XTCRVWRQVYUAEC-JHMKDJTOSA-N 2 2 387.543 3.541 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@H+]3C2)CC1 ZINC001455460064 1062165493 /nfs/dbraw/zinc/16/54/93/1062165493.db2.gz XTCRVWRQVYUAEC-JHMKDJTOSA-N 2 2 387.543 3.541 20 0 GHADLP COc1ccc2[nH+]cc(Cl)c(N3CCC([NH2+]C4CCOCC4)CC3)c2c1 ZINC001348742412 1063305905 /nfs/dbraw/zinc/30/59/05/1063305905.db2.gz DKCKMBUAAZQHLV-UHFFFAOYSA-N 2 2 375.900 3.634 20 0 GHADLP C[C@H](CC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@@H]1CCC[NH2+]C1 ZINC001349488031 1063749698 /nfs/dbraw/zinc/74/96/98/1063749698.db2.gz ZLIYQVJSQDRDFV-IAGOWNOFSA-N 2 2 383.540 3.513 20 0 GHADLP C[C@H](CC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@H]1CCC[NH2+]C1 ZINC001349488033 1063750168 /nfs/dbraw/zinc/75/01/68/1063750168.db2.gz ZLIYQVJSQDRDFV-SJORKVTESA-N 2 2 383.540 3.513 20 0 GHADLP Fc1cccc(-c2ccc(C[NH+]3CCC([NH2+]C4CCOCC4)CC3)o2)c1F ZINC001350337325 1064059119 /nfs/dbraw/zinc/05/91/19/1064059119.db2.gz ARQUJYSVGRWSFK-UHFFFAOYSA-N 2 2 376.447 3.958 20 0 GHADLP COc1ccccc1[C@@H](CO)[NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001459803376 1064224158 /nfs/dbraw/zinc/22/41/58/1064224158.db2.gz FPOCSNMDGJPFLK-HSZRJFAPSA-N 2 2 382.548 3.663 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC001464200178 1064904156 /nfs/dbraw/zinc/90/41/56/1064904156.db2.gz QPVYARXYYSWGEK-QGZVFWFLSA-N 2 2 398.429 3.736 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cccc(CC[NH+](C)C)c2)C[C@H](C)O1 ZINC001464270351 1064935210 /nfs/dbraw/zinc/93/52/10/1064935210.db2.gz KKBPUPSJNMLDRA-KDURUIRLSA-N 2 2 395.547 3.652 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cccc(CC[NH+](C)C)c2)C[C@H](C)O1 ZINC001464270351 1064935211 /nfs/dbraw/zinc/93/52/11/1064935211.db2.gz KKBPUPSJNMLDRA-KDURUIRLSA-N 2 2 395.547 3.652 20 0 GHADLP COc1cc(C)ccc1Oc1ccccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001200269590 1065778125 /nfs/dbraw/zinc/77/81/25/1065778125.db2.gz YISUQSXKAMEDOZ-VQTJNVASSA-N 2 2 382.504 3.749 20 0 GHADLP COc1cc(C)ccc1Oc1ccccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001200269590 1065778139 /nfs/dbraw/zinc/77/81/39/1065778139.db2.gz YISUQSXKAMEDOZ-VQTJNVASSA-N 2 2 382.504 3.749 20 0 GHADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001477578622 1078474299 /nfs/dbraw/zinc/47/42/99/1078474299.db2.gz NKRYDZIBUYHEGW-HCXYKTFWSA-N 2 2 392.613 3.503 20 0 GHADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001477578622 1078474301 /nfs/dbraw/zinc/47/43/01/1078474301.db2.gz NKRYDZIBUYHEGW-HCXYKTFWSA-N 2 2 392.613 3.503 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)c1ccco1 ZINC001467373572 1067258611 /nfs/dbraw/zinc/25/86/11/1067258611.db2.gz RKYZJHQPAOTRCR-GOSISDBHSA-N 2 2 385.512 3.870 20 0 GHADLP C[C@@H]1CCC[C@@](CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)([NH+](C)C)C1 ZINC001468178478 1067622364 /nfs/dbraw/zinc/62/23/64/1067622364.db2.gz YFCSPNQNZQPYQQ-MRLLPBQPSA-N 2 2 398.595 3.538 20 0 GHADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccc(Oc4ccccc4Cl)cc3)C[C@@H]2C1 ZINC001460603824 1069021195 /nfs/dbraw/zinc/02/11/95/1069021195.db2.gz JYKVYCOOHZLIHM-SJORKVTESA-N 2 2 399.922 3.954 20 0 GHADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccc(Oc4ccccc4Cl)cc3)C[C@@H]2C1 ZINC001460603824 1069021211 /nfs/dbraw/zinc/02/12/11/1069021211.db2.gz JYKVYCOOHZLIHM-SJORKVTESA-N 2 2 399.922 3.954 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Oc4ccccc4Cl)cc3)C[C@@H]2C1 ZINC001460603824 1069021221 /nfs/dbraw/zinc/02/12/21/1069021221.db2.gz JYKVYCOOHZLIHM-SJORKVTESA-N 2 2 399.922 3.954 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Oc4ccccc4Cl)cc3)C[C@@H]2C1 ZINC001460603824 1069021239 /nfs/dbraw/zinc/02/12/39/1069021239.db2.gz JYKVYCOOHZLIHM-SJORKVTESA-N 2 2 399.922 3.954 20 0 GHADLP CC[N@H+](C)C[C@H](O)C[NH+](C)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1 ZINC001473165119 1073823540 /nfs/dbraw/zinc/82/35/40/1073823540.db2.gz GYTCIQXROJXCOR-QHCPKHFHSA-N 2 2 384.564 3.935 20 0 GHADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1 ZINC001473165119 1073823551 /nfs/dbraw/zinc/82/35/51/1073823551.db2.gz GYTCIQXROJXCOR-QHCPKHFHSA-N 2 2 384.564 3.935 20 0 GHADLP CC[NH+](C)C[C@H](O)C[N@H+](C)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1 ZINC001473165119 1073823562 /nfs/dbraw/zinc/82/35/62/1073823562.db2.gz GYTCIQXROJXCOR-QHCPKHFHSA-N 2 2 384.564 3.935 20 0 GHADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1 ZINC001473165119 1073823576 /nfs/dbraw/zinc/82/35/76/1073823576.db2.gz GYTCIQXROJXCOR-QHCPKHFHSA-N 2 2 384.564 3.935 20 0 GHADLP COC(C)(C)CC[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001473529111 1074003485 /nfs/dbraw/zinc/00/34/85/1074003485.db2.gz RBKFLUIRJKQHCP-UHFFFAOYSA-N 2 2 379.976 3.742 20 0 GHADLP C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473898332 1074195817 /nfs/dbraw/zinc/19/58/17/1074195817.db2.gz XCTWUDRNOZAFQR-SJLPKXTDSA-N 2 2 386.515 3.662 20 0 GHADLP C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473898332 1074195821 /nfs/dbraw/zinc/19/58/21/1074195821.db2.gz XCTWUDRNOZAFQR-SJLPKXTDSA-N 2 2 386.515 3.662 20 0 GHADLP Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+]C[C@H](C)C[NH+]3CCCC3)cc12 ZINC001473939910 1074211935 /nfs/dbraw/zinc/21/19/35/1074211935.db2.gz GJNWUYSKWNAKBE-AWEZNQCLSA-N 2 2 377.964 3.970 20 0 GHADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc3oc4ccccc4c3c2)CC1 ZINC001474371699 1074368798 /nfs/dbraw/zinc/36/87/98/1074368798.db2.gz LVTYBNOMYVYYBS-UHFFFAOYSA-N 2 2 379.504 3.572 20 0 GHADLP CC[C@@](C)(C[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1)OC ZINC001474565677 1074465928 /nfs/dbraw/zinc/46/59/28/1074465928.db2.gz KOJKVIIGPFGVQB-NRFANRHFSA-N 2 2 379.976 3.742 20 0 GHADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000826304659 608370148 /nfs/dbraw/zinc/37/01/48/608370148.db2.gz TVQNLAFTRWGHAS-IXDOHACOSA-N 2 2 391.523 3.565 20 0 GHADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000826304659 608370150 /nfs/dbraw/zinc/37/01/50/608370150.db2.gz TVQNLAFTRWGHAS-IXDOHACOSA-N 2 2 391.523 3.565 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824532475 609147122 /nfs/dbraw/zinc/14/71/22/609147122.db2.gz UTBQBBHXGOKDDL-UONOGXRCSA-N 2 2 377.427 3.603 20 0 GHADLP C[C@@H](CC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000824585041 609147744 /nfs/dbraw/zinc/14/77/44/609147744.db2.gz MHCQYHBQKPFGBK-HOTGVXAUSA-N 2 2 382.487 3.567 20 0 GHADLP C[C@@H](CC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000824585041 609147745 /nfs/dbraw/zinc/14/77/45/609147745.db2.gz MHCQYHBQKPFGBK-HOTGVXAUSA-N 2 2 382.487 3.567 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc1 ZINC000826330782 609150407 /nfs/dbraw/zinc/15/04/07/609150407.db2.gz IEBPRLVIZQVNSF-UONOGXRCSA-N 2 2 391.454 3.912 20 0 GHADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](C)[N@@H+](C)C[C@H]3C)c2c1C ZINC001164637617 719236267 /nfs/dbraw/zinc/23/62/67/719236267.db2.gz WPBPXIHQDBIQKP-LSDHHAIUSA-N 2 2 387.597 3.823 20 0 GHADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](C)[N@H+](C)C[C@H]3C)c2c1C ZINC001164637617 719236271 /nfs/dbraw/zinc/23/62/71/719236271.db2.gz WPBPXIHQDBIQKP-LSDHHAIUSA-N 2 2 387.597 3.823 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CC[NH+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164812910 720203217 /nfs/dbraw/zinc/20/32/17/720203217.db2.gz NCLHQDKWQBFLBA-RXVVDRJESA-N 2 2 377.960 3.650 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CC[NH+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164812910 720203224 /nfs/dbraw/zinc/20/32/24/720203224.db2.gz NCLHQDKWQBFLBA-RXVVDRJESA-N 2 2 377.960 3.650 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@]12CC[N@@H+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164812910 720203233 /nfs/dbraw/zinc/20/32/33/720203233.db2.gz NCLHQDKWQBFLBA-RXVVDRJESA-N 2 2 377.960 3.650 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@]12CC[N@H+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164812910 720203239 /nfs/dbraw/zinc/20/32/39/720203239.db2.gz NCLHQDKWQBFLBA-RXVVDRJESA-N 2 2 377.960 3.650 20 0 GHADLP COc1cc(C)c[nH+]c1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842355 720705644 /nfs/dbraw/zinc/70/56/44/720705644.db2.gz YSNRWPGJWKWSHT-FQEVSTJZSA-N 2 2 381.520 3.659 20 0 GHADLP COc1cc(C)c[nH+]c1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842355 720705648 /nfs/dbraw/zinc/70/56/48/720705648.db2.gz YSNRWPGJWKWSHT-FQEVSTJZSA-N 2 2 381.520 3.659 20 0 GHADLP CCCc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C)[nH+]1 ZINC001165021586 721818187 /nfs/dbraw/zinc/81/81/87/721818187.db2.gz DTEXBTXYZPHIMT-BWAGFHJFSA-N 2 2 379.552 3.869 20 0 GHADLP CCCc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C)[nH+]1 ZINC001165021586 721818189 /nfs/dbraw/zinc/81/81/89/721818189.db2.gz DTEXBTXYZPHIMT-BWAGFHJFSA-N 2 2 379.552 3.869 20 0 GHADLP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cc[nH+]c(N4CCCCC4)n2)C3)c1 ZINC001164995007 722207295 /nfs/dbraw/zinc/20/72/95/722207295.db2.gz KIYVHEVVRAGAFS-QHCPKHFHSA-N 2 2 395.526 3.851 20 0 GHADLP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cc[nH+]c(N4CCCCC4)n2)C3)c1 ZINC001164995007 722207297 /nfs/dbraw/zinc/20/72/97/722207297.db2.gz KIYVHEVVRAGAFS-QHCPKHFHSA-N 2 2 395.526 3.851 20 0 GHADLP COc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc(OC)c1OCc1ccccc1 ZINC000030909883 837691913 /nfs/dbraw/zinc/69/19/13/837691913.db2.gz VQMUGCSMGPFTPP-QGZVFWFLSA-N 2 2 381.476 3.658 20 0 GHADLP CC[C@H](Cc1ccccc1Br)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655733347 837769620 /nfs/dbraw/zinc/76/96/20/837769620.db2.gz LOMZFUACLXBARV-SJLPKXTDSA-N 2 2 381.358 3.613 20 0 GHADLP CCc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)sc1-c1ccccc1 ZINC000654775488 834543870 /nfs/dbraw/zinc/54/38/70/834543870.db2.gz NBCOXPNYGCHNMA-LJQANCHMSA-N 2 2 397.588 3.876 20 0 GHADLP CCc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)sc1-c1ccccc1 ZINC000654775488 834543877 /nfs/dbraw/zinc/54/38/77/834543877.db2.gz NBCOXPNYGCHNMA-LJQANCHMSA-N 2 2 397.588 3.876 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CCOCC1 ZINC000151888654 834548592 /nfs/dbraw/zinc/54/85/92/834548592.db2.gz SGXPHDVEKQSPQT-KRWDZBQOSA-N 2 2 399.501 3.622 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)OC)c(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000151890005 834553300 /nfs/dbraw/zinc/55/33/00/834553300.db2.gz IUGLLERNZKELMA-UHFFFAOYSA-N 2 2 385.483 3.746 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)OC)c(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000151890005 834553304 /nfs/dbraw/zinc/55/33/04/834553304.db2.gz IUGLLERNZKELMA-UHFFFAOYSA-N 2 2 385.483 3.746 20 0 GHADLP CN(Cc1c(Cl)cccc1N1CCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457501 835022324 /nfs/dbraw/zinc/02/23/24/835022324.db2.gz CWDCCKMIDFVQIQ-LJQANCHMSA-N 2 2 391.003 3.541 20 0 GHADLP CN(Cc1c(Cl)cccc1N1CCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457501 835022332 /nfs/dbraw/zinc/02/23/32/835022332.db2.gz CWDCCKMIDFVQIQ-LJQANCHMSA-N 2 2 391.003 3.541 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000685579656 835189860 /nfs/dbraw/zinc/18/98/60/835189860.db2.gz CUBMKWPSPCYOMU-MSOLQXFVSA-N 2 2 379.504 3.600 20 0 GHADLP c1cn(-c2ccc(C[NH2+]Cc3cccc(COC[C@@H]4CCCO4)c3)cc2)c[nH+]1 ZINC000657802997 835203183 /nfs/dbraw/zinc/20/31/83/835203183.db2.gz HNTSMDAYOBIOLF-QHCPKHFHSA-N 2 2 377.488 3.858 20 0 GHADLP COc1ccccc1-c1ncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000430241794 835348482 /nfs/dbraw/zinc/34/84/82/835348482.db2.gz OLUJPBFCLZOLRH-WIYYLYMNSA-N 2 2 378.520 3.601 20 0 GHADLP COc1ccccc1-c1ncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000430241794 835348491 /nfs/dbraw/zinc/34/84/91/835348491.db2.gz OLUJPBFCLZOLRH-WIYYLYMNSA-N 2 2 378.520 3.601 20 0 GHADLP COc1ccccc1-c1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000430241794 835348498 /nfs/dbraw/zinc/34/84/98/835348498.db2.gz OLUJPBFCLZOLRH-WIYYLYMNSA-N 2 2 378.520 3.601 20 0 GHADLP COc1ccccc1-c1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000430241794 835348516 /nfs/dbraw/zinc/34/85/16/835348516.db2.gz OLUJPBFCLZOLRH-WIYYLYMNSA-N 2 2 378.520 3.601 20 0 GHADLP COC(=O)c1c[nH]c(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1C1CC1 ZINC000894141887 844047981 /nfs/dbraw/zinc/04/79/81/844047981.db2.gz MZDJUAUORSPPOV-UHFFFAOYSA-N 2 2 399.457 3.574 20 0 GHADLP CC(C)c1ncsc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000410686199 844048648 /nfs/dbraw/zinc/04/86/48/844048648.db2.gz GGCISJKLDWRPCN-QZTJIDSGSA-N 2 2 392.613 3.676 20 0 GHADLP CC(C)c1ncsc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410686199 844048656 /nfs/dbraw/zinc/04/86/56/844048656.db2.gz GGCISJKLDWRPCN-QZTJIDSGSA-N 2 2 392.613 3.676 20 0 GHADLP CCC[NH+]1CCC(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000151392160 835414709 /nfs/dbraw/zinc/41/47/09/835414709.db2.gz IPCMWMHNDDTAKR-FCHUYYIVSA-N 2 2 395.551 3.533 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092573 835417473 /nfs/dbraw/zinc/41/74/73/835417473.db2.gz QNDFTESIYPZOMU-CJNGLKHVSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092573 835417476 /nfs/dbraw/zinc/41/74/76/835417476.db2.gz QNDFTESIYPZOMU-CJNGLKHVSA-N 2 2 382.346 3.629 20 0 GHADLP C[NH+](C)[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccccc1 ZINC000433372437 844058294 /nfs/dbraw/zinc/05/82/94/844058294.db2.gz HXIZGXYJJFIWGV-NRFANRHFSA-N 2 2 380.536 3.771 20 0 GHADLP C[NH+](C)[C@H](CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccccc1 ZINC000433372440 844058311 /nfs/dbraw/zinc/05/83/11/844058311.db2.gz HXIZGXYJJFIWGV-OAQYLSRUSA-N 2 2 380.536 3.771 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCCO2 ZINC000191837810 835762801 /nfs/dbraw/zinc/76/28/01/835762801.db2.gz XOTVMFCWAZMXIK-DENIHFKCSA-N 2 2 396.531 3.790 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCCO2 ZINC000191837810 835762810 /nfs/dbraw/zinc/76/28/10/835762810.db2.gz XOTVMFCWAZMXIK-DENIHFKCSA-N 2 2 396.531 3.790 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(Cc4cccs4)CCCCC3)C2)CC1 ZINC000685734432 835821791 /nfs/dbraw/zinc/82/17/91/835821791.db2.gz VUWKXWQCIRUQEB-GOSISDBHSA-N 2 2 389.609 3.526 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(Cc4cccs4)CCCCC3)C2)CC1 ZINC000685734432 835821799 /nfs/dbraw/zinc/82/17/99/835821799.db2.gz VUWKXWQCIRUQEB-GOSISDBHSA-N 2 2 389.609 3.526 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632001 835967717 /nfs/dbraw/zinc/96/77/17/835967717.db2.gz RKZJBHBNSRAFKA-LZLYRXPVSA-N 2 2 377.960 3.569 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632001 835967721 /nfs/dbraw/zinc/96/77/21/835967721.db2.gz RKZJBHBNSRAFKA-LZLYRXPVSA-N 2 2 377.960 3.569 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081632001 835967723 /nfs/dbraw/zinc/96/77/23/835967723.db2.gz RKZJBHBNSRAFKA-LZLYRXPVSA-N 2 2 377.960 3.569 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081632001 835967728 /nfs/dbraw/zinc/96/77/28/835967728.db2.gz RKZJBHBNSRAFKA-LZLYRXPVSA-N 2 2 377.960 3.569 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCc4ccc(Cl)cc4Cl)C[C@@H]3C2)cn1 ZINC001209080649 835980148 /nfs/dbraw/zinc/98/01/48/835980148.db2.gz GGKSFFLHOFMBQZ-MSOLQXFVSA-N 2 2 393.362 3.723 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCc4ccc(Cl)cc4Cl)C[C@@H]3C2)cn1 ZINC001209080649 835980152 /nfs/dbraw/zinc/98/01/52/835980152.db2.gz GGKSFFLHOFMBQZ-MSOLQXFVSA-N 2 2 393.362 3.723 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCc4ccc(Cl)cc4Cl)C[C@@H]3C2)cn1 ZINC001209080649 835980162 /nfs/dbraw/zinc/98/01/62/835980162.db2.gz GGKSFFLHOFMBQZ-MSOLQXFVSA-N 2 2 393.362 3.723 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCc4ccc(Cl)cc4Cl)C[C@@H]3C2)cn1 ZINC001209080649 835980168 /nfs/dbraw/zinc/98/01/68/835980168.db2.gz GGKSFFLHOFMBQZ-MSOLQXFVSA-N 2 2 393.362 3.723 20 0 GHADLP Brc1cccc(C[NH+]2CCC(Nc3[nH+]cnc4[nH]ccc43)CC2)c1 ZINC000413617061 835998161 /nfs/dbraw/zinc/99/81/61/835998161.db2.gz JTOGMDQQZODBPG-UHFFFAOYSA-N 2 2 386.297 3.797 20 0 GHADLP Cn1cc([C@@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c2cccc(F)c2)cn1 ZINC000180425945 836168598 /nfs/dbraw/zinc/16/85/98/836168598.db2.gz GCEAIKXLBMMARF-RDPSFJRHSA-N 2 2 392.522 3.803 20 0 GHADLP Cn1cc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c2cccc(F)c2)cn1 ZINC000180425945 836168603 /nfs/dbraw/zinc/16/86/03/836168603.db2.gz GCEAIKXLBMMARF-RDPSFJRHSA-N 2 2 392.522 3.803 20 0 GHADLP C[C@H](C[NH2+][C@H](c1ccccc1Cl)c1cc(F)ccc1F)N1CC[NH+](C)CC1 ZINC000180463779 836175469 /nfs/dbraw/zinc/17/54/69/836175469.db2.gz QBYDOJSYZDSPJY-QVKFZJNVSA-N 2 2 393.909 3.933 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](Cc2ccco2)C2CCCC2)CC1 ZINC000613469371 836460704 /nfs/dbraw/zinc/46/07/04/836460704.db2.gz AOCHUJUOTXMPSP-FQEVSTJZSA-N 2 2 395.547 3.930 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](Cc2ccco2)C2CCCC2)CC1 ZINC000613469371 836460710 /nfs/dbraw/zinc/46/07/10/836460710.db2.gz AOCHUJUOTXMPSP-FQEVSTJZSA-N 2 2 395.547 3.930 20 0 GHADLP CCCCc1ccc(NC(=S)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000066007511 836512353 /nfs/dbraw/zinc/51/23/53/836512353.db2.gz WKQLIMAALUYNAB-UHFFFAOYSA-N 2 2 376.614 3.684 20 0 GHADLP CCCCc1ccc(NC(=S)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000066007511 836512356 /nfs/dbraw/zinc/51/23/56/836512356.db2.gz WKQLIMAALUYNAB-UHFFFAOYSA-N 2 2 376.614 3.684 20 0 GHADLP CCC[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000170768546 836677946 /nfs/dbraw/zinc/67/79/46/836677946.db2.gz VHHJYKQLDVBBCY-QFIPXVFZSA-N 2 2 381.520 3.588 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000510214508 836790140 /nfs/dbraw/zinc/79/01/40/836790140.db2.gz YSTDRKUCRJYDBH-FQEVSTJZSA-N 2 2 378.476 3.731 20 0 GHADLP Cc1ccc(C)c(OC2CC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001167178839 836815779 /nfs/dbraw/zinc/81/57/79/836815779.db2.gz MHMPJCUIBJPAEZ-RUZDIDTESA-N 2 2 394.559 3.784 20 0 GHADLP Cc1ccc(C)c(OC2CC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001167178839 836815787 /nfs/dbraw/zinc/81/57/87/836815787.db2.gz MHMPJCUIBJPAEZ-RUZDIDTESA-N 2 2 394.559 3.784 20 0 GHADLP CCC[C@](C)(NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000892522274 837258377 /nfs/dbraw/zinc/25/83/77/837258377.db2.gz VTMJXZICHKDDSC-QHCPKHFHSA-N 2 2 386.584 3.560 20 0 GHADLP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(N(C)C)[nH+]1 ZINC000162340477 837283895 /nfs/dbraw/zinc/28/38/95/837283895.db2.gz OCCFRJLWOMGRPU-INIZCTEOSA-N 2 2 387.553 3.551 20 0 GHADLP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(N(C)C)[nH+]1 ZINC000162340477 837283905 /nfs/dbraw/zinc/28/39/05/837283905.db2.gz OCCFRJLWOMGRPU-INIZCTEOSA-N 2 2 387.553 3.551 20 0 GHADLP Cc1cc(C(=O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c(C)n1Cc1ccco1 ZINC000176331198 837286909 /nfs/dbraw/zinc/28/69/09/837286909.db2.gz JYEOTRGDEFPTHC-UHFFFAOYSA-N 2 2 394.519 3.617 20 0 GHADLP CC[C@H](C)Oc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000177337808 837908456 /nfs/dbraw/zinc/90/84/56/837908456.db2.gz NVFMWFNDWYSXOV-IBGZPJMESA-N 2 2 387.568 3.544 20 0 GHADLP Cc1[nH+]ccn1CCC[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000535668029 844275272 /nfs/dbraw/zinc/27/52/72/844275272.db2.gz LJOOGEMZDAKAKT-UHFFFAOYSA-N 2 2 399.539 3.662 20 0 GHADLP FC(F)(F)Oc1cccc(C2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)c1 ZINC000655846003 838051138 /nfs/dbraw/zinc/05/11/38/838051138.db2.gz YZRDUQMNDWUMGC-SFHVURJKSA-N 2 2 384.442 3.807 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2F)CC1 ZINC000052074578 838104723 /nfs/dbraw/zinc/10/47/23/838104723.db2.gz WJNJEJJRVKKMSH-IBGZPJMESA-N 2 2 397.538 3.908 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2F)CC1 ZINC000052074578 838104730 /nfs/dbraw/zinc/10/47/30/838104730.db2.gz WJNJEJJRVKKMSH-IBGZPJMESA-N 2 2 397.538 3.908 20 0 GHADLP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000415924010 838275694 /nfs/dbraw/zinc/27/56/94/838275694.db2.gz QFRWVMMGUNOMBB-RBUKOAKNSA-N 2 2 390.890 3.765 20 0 GHADLP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000415924010 838275698 /nfs/dbraw/zinc/27/56/98/838275698.db2.gz QFRWVMMGUNOMBB-RBUKOAKNSA-N 2 2 390.890 3.765 20 0 GHADLP Cc1[nH]c(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)c(C)[nH+]1 ZINC000930573157 838690672 /nfs/dbraw/zinc/69/06/72/838690672.db2.gz VPQNAXHCXFJVMX-UHFFFAOYSA-N 2 2 396.304 3.810 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000107622852 838790452 /nfs/dbraw/zinc/79/04/52/838790452.db2.gz YULOWMBXRNAIDG-UHFFFAOYSA-N 2 2 388.515 3.588 20 0 GHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000107622852 838790460 /nfs/dbraw/zinc/79/04/60/838790460.db2.gz YULOWMBXRNAIDG-UHFFFAOYSA-N 2 2 388.515 3.588 20 0 GHADLP Cc1cc(N[C@H](C)CC[NH+]2CCN(C)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000472680162 839089517 /nfs/dbraw/zinc/08/95/17/839089517.db2.gz VFTULPFMESAZKC-CQSZACIVSA-N 2 2 396.457 3.880 20 0 GHADLP CC(C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025540999 839137603 /nfs/dbraw/zinc/13/76/03/839137603.db2.gz QKYSOUZXTLFVER-HSZRJFAPSA-N 2 2 388.515 3.685 20 0 GHADLP CC(C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000025540999 839137611 /nfs/dbraw/zinc/13/76/11/839137611.db2.gz QKYSOUZXTLFVER-HSZRJFAPSA-N 2 2 388.515 3.685 20 0 GHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000415065866 839144500 /nfs/dbraw/zinc/14/45/00/839144500.db2.gz NSPZUMBIOVCEMI-QGZVFWFLSA-N 2 2 382.426 3.988 20 0 GHADLP Cc1ccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)c(-c2cnn(C)c2)c1 ZINC000549238571 839466445 /nfs/dbraw/zinc/46/64/45/839466445.db2.gz ROIJFNHSNREPLJ-UHFFFAOYSA-N 2 2 384.593 3.847 20 0 GHADLP O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000377439167 839512654 /nfs/dbraw/zinc/51/26/54/839512654.db2.gz DIJYXGBQVBJOMO-UHFFFAOYSA-N 2 2 395.551 3.612 20 0 GHADLP Cc1ccc(-c2ncc(C[NH+]3CCN([C@H]4CCC[N@@H+](C)C4)CC3)s2)cc1C ZINC000656251454 839808344 /nfs/dbraw/zinc/80/83/44/839808344.db2.gz HGSGDEOVMBUHJR-FQEVSTJZSA-N 2 2 384.593 3.639 20 0 GHADLP Cc1ccc(-c2ncc(C[NH+]3CCN([C@H]4CCC[N@H+](C)C4)CC3)s2)cc1C ZINC000656251454 839808357 /nfs/dbraw/zinc/80/83/57/839808357.db2.gz HGSGDEOVMBUHJR-FQEVSTJZSA-N 2 2 384.593 3.639 20 0 GHADLP CC(C)Oc1ccc([C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[NH+](C)C)cc1 ZINC000580593338 839871268 /nfs/dbraw/zinc/87/12/68/839871268.db2.gz HLGIINFGNYZXPW-JOCHJYFZSA-N 2 2 392.503 3.692 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000656262789 839913636 /nfs/dbraw/zinc/91/36/36/839913636.db2.gz ZGMOWCPSBZPTIW-RDTXWAMCSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000656262789 839913640 /nfs/dbraw/zinc/91/36/40/839913640.db2.gz ZGMOWCPSBZPTIW-RDTXWAMCSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000656262789 839913649 /nfs/dbraw/zinc/91/36/49/839913649.db2.gz ZGMOWCPSBZPTIW-RDTXWAMCSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000656262789 839913653 /nfs/dbraw/zinc/91/36/53/839913653.db2.gz ZGMOWCPSBZPTIW-RDTXWAMCSA-N 2 2 391.357 3.715 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)C2)cc1 ZINC000500401997 840385104 /nfs/dbraw/zinc/38/51/04/840385104.db2.gz YLAAVLLKVAFTGB-GMKZXUHWSA-N 2 2 379.548 3.989 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)C2)cc1 ZINC000500401997 840385115 /nfs/dbraw/zinc/38/51/15/840385115.db2.gz YLAAVLLKVAFTGB-GMKZXUHWSA-N 2 2 379.548 3.989 20 0 GHADLP Cc1ncoc1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000894172634 844539823 /nfs/dbraw/zinc/53/98/23/844539823.db2.gz CWSBFRYTNLSADW-UHFFFAOYSA-N 2 2 376.504 3.595 20 0 GHADLP FC(F)(F)c1ccc(-n2cc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cn2)cc1 ZINC000511775964 840723213 /nfs/dbraw/zinc/72/32/13/840723213.db2.gz JDKMRHTWNCDGKN-UHFFFAOYSA-N 2 2 378.442 3.998 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(C(F)F)cc3)CC2)CC1 ZINC000933096628 840812428 /nfs/dbraw/zinc/81/24/28/840812428.db2.gz KGSSXDYRBNXTDM-UHFFFAOYSA-N 2 2 380.483 3.648 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(C(F)F)cc3)CC2)CC1 ZINC000933096628 840812436 /nfs/dbraw/zinc/81/24/36/840812436.db2.gz KGSSXDYRBNXTDM-UHFFFAOYSA-N 2 2 380.483 3.648 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc(OC)c1OC ZINC000093016773 840866917 /nfs/dbraw/zinc/86/69/17/840866917.db2.gz SWIUCQHXNMEBIL-GOSISDBHSA-N 2 2 376.541 3.800 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc(OC)c1OC ZINC000093016773 840866919 /nfs/dbraw/zinc/86/69/19/840866919.db2.gz SWIUCQHXNMEBIL-GOSISDBHSA-N 2 2 376.541 3.800 20 0 GHADLP C[NH+]1CCC(CNC(=O)N[C@H]2CC(C)(C)c3ccccc32)([NH+]2CCCCC2)CC1 ZINC000432155101 840870153 /nfs/dbraw/zinc/87/01/53/840870153.db2.gz DPRDBHZLQFQCCN-NRFANRHFSA-N 2 2 398.595 3.659 20 0 GHADLP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000047597931 841044625 /nfs/dbraw/zinc/04/46/25/841044625.db2.gz ZNMZROADVZFFGJ-UHFFFAOYSA-N 2 2 391.519 3.501 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000417769560 841186439 /nfs/dbraw/zinc/18/64/39/841186439.db2.gz BDPUXUPNMKKXEN-KNQAVFIVSA-N 2 2 379.548 3.873 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000417769560 841186449 /nfs/dbraw/zinc/18/64/49/841186449.db2.gz BDPUXUPNMKKXEN-KNQAVFIVSA-N 2 2 379.548 3.873 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2C(=O)N(C)C)CC[NH+]1Cc1ccccc1 ZINC000417769560 841186455 /nfs/dbraw/zinc/18/64/55/841186455.db2.gz BDPUXUPNMKKXEN-KNQAVFIVSA-N 2 2 379.548 3.873 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C(=O)N(C)C)CC[NH+]1Cc1ccccc1 ZINC000417769560 841186461 /nfs/dbraw/zinc/18/64/61/841186461.db2.gz BDPUXUPNMKKXEN-KNQAVFIVSA-N 2 2 379.548 3.873 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000417769561 841186895 /nfs/dbraw/zinc/18/68/95/841186895.db2.gz BDPUXUPNMKKXEN-SIKLNZKXSA-N 2 2 379.548 3.873 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000417769561 841186901 /nfs/dbraw/zinc/18/69/01/841186901.db2.gz BDPUXUPNMKKXEN-SIKLNZKXSA-N 2 2 379.548 3.873 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2C(=O)N(C)C)CC[NH+]1Cc1ccccc1 ZINC000417769561 841186908 /nfs/dbraw/zinc/18/69/08/841186908.db2.gz BDPUXUPNMKKXEN-SIKLNZKXSA-N 2 2 379.548 3.873 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2C(=O)N(C)C)CC[NH+]1Cc1ccccc1 ZINC000417769561 841186913 /nfs/dbraw/zinc/18/69/13/841186913.db2.gz BDPUXUPNMKKXEN-SIKLNZKXSA-N 2 2 379.548 3.873 20 0 GHADLP C[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)N(C)Cc1ccccc1 ZINC000160875325 841198304 /nfs/dbraw/zinc/19/83/04/841198304.db2.gz IIOBVHAAQVYHOT-HXUWFJFHSA-N 2 2 380.580 3.832 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1csc(Cl)c1 ZINC000276384764 841765316 /nfs/dbraw/zinc/76/53/16/841765316.db2.gz QMPAVTWOJGCYHW-CQSZACIVSA-N 2 2 377.941 3.640 20 0 GHADLP Cc1ccsc1C[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000581619884 841798343 /nfs/dbraw/zinc/79/83/43/841798343.db2.gz VTCVLYXJWOIRMK-UHFFFAOYSA-N 2 2 385.577 3.531 20 0 GHADLP Cc1ccsc1C[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000581619884 841798352 /nfs/dbraw/zinc/79/83/52/841798352.db2.gz VTCVLYXJWOIRMK-UHFFFAOYSA-N 2 2 385.577 3.531 20 0 GHADLP Cc1ccsc1C[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000581619884 841798368 /nfs/dbraw/zinc/79/83/68/841798368.db2.gz VTCVLYXJWOIRMK-UHFFFAOYSA-N 2 2 385.577 3.531 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC3CCCCC3)C2)s1 ZINC000581634532 841846526 /nfs/dbraw/zinc/84/65/26/841846526.db2.gz SOAJNGPSOVEHJJ-ZWKOTPCHSA-N 2 2 377.598 3.648 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)NC3CCCCC3)C2)s1 ZINC000581634532 841846532 /nfs/dbraw/zinc/84/65/32/841846532.db2.gz SOAJNGPSOVEHJJ-ZWKOTPCHSA-N 2 2 377.598 3.648 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NC3CCCCC3)C2)s1 ZINC000581634532 841846539 /nfs/dbraw/zinc/84/65/39/841846539.db2.gz SOAJNGPSOVEHJJ-ZWKOTPCHSA-N 2 2 377.598 3.648 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NC3CCCCC3)C2)s1 ZINC000581634532 841846545 /nfs/dbraw/zinc/84/65/45/841846545.db2.gz SOAJNGPSOVEHJJ-ZWKOTPCHSA-N 2 2 377.598 3.648 20 0 GHADLP CN(C(=O)/C=C\c1cccs1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000255339239 841903889 /nfs/dbraw/zinc/90/38/89/841903889.db2.gz MFAONYZHRRGVDQ-RAKWIPDMSA-N 2 2 375.582 3.557 20 0 GHADLP CN(C(=O)/C=C\c1cccs1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000255339239 841903894 /nfs/dbraw/zinc/90/38/94/841903894.db2.gz MFAONYZHRRGVDQ-RAKWIPDMSA-N 2 2 375.582 3.557 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(-n3cccn3)c2)cc1 ZINC000656790256 841929854 /nfs/dbraw/zinc/92/98/54/841929854.db2.gz MGHAKAWBPUDOAS-GOTSBHOMSA-N 2 2 376.504 3.506 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430634956 841954141 /nfs/dbraw/zinc/95/41/41/841954141.db2.gz FKDSEQIFDVDURB-PZJWPPBQSA-N 2 2 388.515 3.964 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430634956 841954149 /nfs/dbraw/zinc/95/41/49/841954149.db2.gz FKDSEQIFDVDURB-PZJWPPBQSA-N 2 2 388.515 3.964 20 0 GHADLP CN1CC[C@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000512006217 842098907 /nfs/dbraw/zinc/09/89/07/842098907.db2.gz GJNGFJFPKLQEMH-KUHUBIRLSA-N 2 2 396.963 3.780 20 0 GHADLP Fc1ccccc1-c1noc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000278933121 842132935 /nfs/dbraw/zinc/13/29/35/842132935.db2.gz SVAKLPFTICINII-UHFFFAOYSA-N 2 2 381.455 3.788 20 0 GHADLP Cc1cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)sc1Br ZINC000512032578 842214212 /nfs/dbraw/zinc/21/42/12/842214212.db2.gz VMMRLWMVSIJRAK-UONOGXRCSA-N 2 2 375.376 3.562 20 0 GHADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430661938 842250177 /nfs/dbraw/zinc/25/01/77/842250177.db2.gz GVJDLHATALTHLH-KBXCAEBGSA-N 2 2 384.351 3.588 20 0 GHADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430661938 842250188 /nfs/dbraw/zinc/25/01/88/842250188.db2.gz GVJDLHATALTHLH-KBXCAEBGSA-N 2 2 384.351 3.588 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000625243614 861288362 /nfs/dbraw/zinc/28/83/62/861288362.db2.gz ZNJCFAGKPWUHCU-XPWALMASSA-N 2 2 394.563 3.841 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000625243614 861288375 /nfs/dbraw/zinc/28/83/75/861288375.db2.gz ZNJCFAGKPWUHCU-XPWALMASSA-N 2 2 394.563 3.841 20 0 GHADLP CC[C@H](C)Oc1cc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)ccc1OC ZINC000684429300 842271792 /nfs/dbraw/zinc/27/17/92/842271792.db2.gz UPCXGGOCNRTQKL-KRWDZBQOSA-N 2 2 385.508 3.598 20 0 GHADLP CC(C)OC(=O)Cc1nc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cs1 ZINC000063741409 842345575 /nfs/dbraw/zinc/34/55/75/842345575.db2.gz OLSAIUXGBYMZNO-UHFFFAOYSA-N 2 2 393.597 3.725 20 0 GHADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432254118 842399038 /nfs/dbraw/zinc/39/90/38/842399038.db2.gz RDRNBTBSNVXSTG-CVEARBPZSA-N 2 2 375.315 3.990 20 0 GHADLP COc1ccccc1[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)N1CCCCC1 ZINC000512085351 842448199 /nfs/dbraw/zinc/44/81/99/842448199.db2.gz VBBOOLIATMXYCL-IBGZPJMESA-N 2 2 388.581 3.530 20 0 GHADLP Cc1cc(C)c(CNC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000652521749 842644802 /nfs/dbraw/zinc/64/48/02/842644802.db2.gz XZJBYUDYMKMOJV-AKIFATBCSA-N 2 2 392.547 3.798 20 0 GHADLP Cc1cc(C)c(CNC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000652521749 842644807 /nfs/dbraw/zinc/64/48/07/842644807.db2.gz XZJBYUDYMKMOJV-AKIFATBCSA-N 2 2 392.547 3.798 20 0 GHADLP c1ccc(CSCCNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)cc1 ZINC000430752456 842931479 /nfs/dbraw/zinc/93/14/79/842931479.db2.gz CORRLXVBBYTWKG-UHFFFAOYSA-N 2 2 396.560 3.783 20 0 GHADLP Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000606690809 842954125 /nfs/dbraw/zinc/95/41/25/842954125.db2.gz NMJHKXISMKRKCK-LSWJPFSZSA-N 2 2 398.595 3.646 20 0 GHADLP Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000606690809 842954132 /nfs/dbraw/zinc/95/41/32/842954132.db2.gz NMJHKXISMKRKCK-LSWJPFSZSA-N 2 2 398.595 3.646 20 0 GHADLP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000430792448 842992289 /nfs/dbraw/zinc/99/22/89/842992289.db2.gz RMRSNXRNFUAVGD-UZZNCIHVSA-N 2 2 397.607 3.832 20 0 GHADLP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000430792448 842992298 /nfs/dbraw/zinc/99/22/98/842992298.db2.gz RMRSNXRNFUAVGD-UZZNCIHVSA-N 2 2 397.607 3.832 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000471863622 843002205 /nfs/dbraw/zinc/00/22/05/843002205.db2.gz WRGLFXXGGIHSHY-DYESRHJHSA-N 2 2 387.474 3.575 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)cc1F ZINC000471863622 843002218 /nfs/dbraw/zinc/00/22/18/843002218.db2.gz WRGLFXXGGIHSHY-DYESRHJHSA-N 2 2 387.474 3.575 20 0 GHADLP Cc1ccc(-c2nc(NC(=[NH2+])NCCCC[NH3+])nc3sc4c(c32)CCC4)cc1 ZINC001167880208 843183869 /nfs/dbraw/zinc/18/38/69/843183869.db2.gz BXWQYBVPKWASRA-UHFFFAOYSA-N 2 2 394.548 3.831 20 0 GHADLP COCCOc1ccc(C[NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000500462510 843494970 /nfs/dbraw/zinc/49/49/70/843494970.db2.gz QIZFPPPKOZJRRB-DEOSSOPVSA-N 2 2 382.548 3.884 20 0 GHADLP COCCOc1ccc(C[NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000500462510 843494976 /nfs/dbraw/zinc/49/49/76/843494976.db2.gz QIZFPPPKOZJRRB-DEOSSOPVSA-N 2 2 382.548 3.884 20 0 GHADLP COc1ccccc1C[C@@H](C)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1 ZINC000431072570 843555333 /nfs/dbraw/zinc/55/53/33/843555333.db2.gz SXXVNCFDYFXKMJ-QGZVFWFLSA-N 2 2 394.519 3.905 20 0 GHADLP COc1ccccc1C[C@@H](C)[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1 ZINC000431072570 843555344 /nfs/dbraw/zinc/55/53/44/843555344.db2.gz SXXVNCFDYFXKMJ-QGZVFWFLSA-N 2 2 394.519 3.905 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000512887121 843940038 /nfs/dbraw/zinc/94/00/38/843940038.db2.gz QUDDNMXNROAECU-FLIBITNWSA-N 2 2 391.559 4.000 20 0 GHADLP Cc1ccc(C)c(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535851838 844793505 /nfs/dbraw/zinc/79/35/05/844793505.db2.gz SDNRKABWDQLJAB-PKTZIBPZSA-N 2 2 385.596 3.642 20 0 GHADLP Cc1ccc(C)c(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535851838 844793510 /nfs/dbraw/zinc/79/35/10/844793510.db2.gz SDNRKABWDQLJAB-PKTZIBPZSA-N 2 2 385.596 3.642 20 0 GHADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C(F)(F)F)ccc3Cl)C2)CC1 ZINC000093132802 845213080 /nfs/dbraw/zinc/21/30/80/845213080.db2.gz WUQFRVBNTWPYAN-MRXNPFEDSA-N 2 2 375.866 3.571 20 0 GHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C(F)(F)F)ccc3Cl)C2)CC1 ZINC000093132802 845213090 /nfs/dbraw/zinc/21/30/90/845213090.db2.gz WUQFRVBNTWPYAN-MRXNPFEDSA-N 2 2 375.866 3.571 20 0 GHADLP Brc1cccc2c(N3CCC([N@@H+]4CCCOCC4)CC3)cc[nH+]c12 ZINC000664009843 845350139 /nfs/dbraw/zinc/35/01/39/845350139.db2.gz OLEQTJDBFGMOMX-UHFFFAOYSA-N 2 2 390.325 3.688 20 0 GHADLP Brc1cccc2c(N3CCC([N@H+]4CCCOCC4)CC3)cc[nH+]c12 ZINC000664009843 845350149 /nfs/dbraw/zinc/35/01/49/845350149.db2.gz OLEQTJDBFGMOMX-UHFFFAOYSA-N 2 2 390.325 3.688 20 0 GHADLP O=C(C[NH+]1CCCCCC1)Nc1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC000179419256 861573030 /nfs/dbraw/zinc/57/30/30/861573030.db2.gz NTNWLBGIMAQWER-UHFFFAOYSA-N 2 2 377.492 3.761 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4c3c(F)ccc4F)cc2)CC1 ZINC000513524051 845585482 /nfs/dbraw/zinc/58/54/82/845585482.db2.gz DRMQIVZSKODDEX-JOCHJYFZSA-N 2 2 385.502 3.879 20 0 GHADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430027386 845604860 /nfs/dbraw/zinc/60/48/60/845604860.db2.gz ADYLONSOZRJLRX-UXHICEINSA-N 2 2 378.944 3.596 20 0 GHADLP CN(C(=O)CC1(C(F)(F)F)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502530563 846163808 /nfs/dbraw/zinc/16/38/08/846163808.db2.gz XUSFOBZTJXVGQD-IAGOWNOFSA-N 2 2 389.506 3.515 20 0 GHADLP CN(C(=O)CC1(C(F)(F)F)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502530563 846163815 /nfs/dbraw/zinc/16/38/15/846163815.db2.gz XUSFOBZTJXVGQD-IAGOWNOFSA-N 2 2 389.506 3.515 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2c(F)cncc2Br)cc1 ZINC000657351876 846448728 /nfs/dbraw/zinc/44/87/28/846448728.db2.gz HJKDCOVLQPAQEE-UHFFFAOYSA-N 2 2 396.304 3.604 20 0 GHADLP CN(C(=O)CCc1ccccc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124812573 846616308 /nfs/dbraw/zinc/61/63/08/846616308.db2.gz IYZIXXHBKSOMKP-VXKWHMMOSA-N 2 2 389.559 3.554 20 0 GHADLP CN(C(=O)CCc1ccccc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124812573 846616310 /nfs/dbraw/zinc/61/63/10/846616310.db2.gz IYZIXXHBKSOMKP-VXKWHMMOSA-N 2 2 389.559 3.554 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000422004973 846743537 /nfs/dbraw/zinc/74/35/37/846743537.db2.gz ICETULVTDAARDX-UHFFFAOYSA-N 2 2 398.378 3.555 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000422004973 846743541 /nfs/dbraw/zinc/74/35/41/846743541.db2.gz ICETULVTDAARDX-UHFFFAOYSA-N 2 2 398.378 3.555 20 0 GHADLP Cc1cc(F)cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000179703001 861717441 /nfs/dbraw/zinc/71/74/41/861717441.db2.gz MVLZDJYVXNHHJA-SFTDATJTSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cc(F)cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000179703001 861717452 /nfs/dbraw/zinc/71/74/52/861717452.db2.gz MVLZDJYVXNHHJA-SFTDATJTSA-N 2 2 390.547 3.935 20 0 GHADLP CC[C@@H](C)[C@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422027090 846758543 /nfs/dbraw/zinc/75/85/43/846758543.db2.gz VQYCWRYKIIWTSM-OFNKIYASSA-N 2 2 385.596 3.835 20 0 GHADLP CC[C@@H](C)[C@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422027090 846758550 /nfs/dbraw/zinc/75/85/50/846758550.db2.gz VQYCWRYKIIWTSM-OFNKIYASSA-N 2 2 385.596 3.835 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000582301971 846812546 /nfs/dbraw/zinc/81/25/46/846812546.db2.gz LQXSEOIYJQTCTR-JLMWRMLUSA-N 2 2 381.520 3.743 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000582301971 846812554 /nfs/dbraw/zinc/81/25/54/846812554.db2.gz LQXSEOIYJQTCTR-JLMWRMLUSA-N 2 2 381.520 3.743 20 0 GHADLP CCC[C@H](NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422145081 846849814 /nfs/dbraw/zinc/84/98/14/846849814.db2.gz RWSQJCFTXGPVPR-QFIPXVFZSA-N 2 2 386.584 3.729 20 0 GHADLP CCC[C@H](NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422145081 846849817 /nfs/dbraw/zinc/84/98/17/846849817.db2.gz RWSQJCFTXGPVPR-QFIPXVFZSA-N 2 2 386.584 3.729 20 0 GHADLP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3c(F)ccc(O)c3F)CC2)cs1 ZINC000511104069 846958561 /nfs/dbraw/zinc/95/85/61/846958561.db2.gz ACHCXMHYAHSFPT-UHFFFAOYSA-N 2 2 381.492 3.691 20 0 GHADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000420311400 847109195 /nfs/dbraw/zinc/10/91/95/847109195.db2.gz VUMRDWZQIQUZPY-PXNSSMCTSA-N 2 2 394.437 3.830 20 0 GHADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000420311400 847109199 /nfs/dbraw/zinc/10/91/99/847109199.db2.gz VUMRDWZQIQUZPY-PXNSSMCTSA-N 2 2 394.437 3.830 20 0 GHADLP CN(C(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000420381730 847149687 /nfs/dbraw/zinc/14/96/87/847149687.db2.gz ZIMGKQSIVBXVHQ-VWNXMTODSA-N 2 2 397.538 3.871 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c2cccs2)cc1 ZINC000420413050 847162213 /nfs/dbraw/zinc/16/22/13/847162213.db2.gz ZLCVAEXKXRODEA-VIZSFHNOSA-N 2 2 397.588 3.726 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c2cccs2)cc1 ZINC000420413050 847162223 /nfs/dbraw/zinc/16/22/23/847162223.db2.gz ZLCVAEXKXRODEA-VIZSFHNOSA-N 2 2 397.588 3.726 20 0 GHADLP CCCNC(=O)CCC[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000563348773 847169824 /nfs/dbraw/zinc/16/98/24/847169824.db2.gz BFGHSNSZJKLVLM-UHFFFAOYSA-N 2 2 389.588 3.506 20 0 GHADLP CCCNC(=O)CCC[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000563348773 847169830 /nfs/dbraw/zinc/16/98/30/847169830.db2.gz BFGHSNSZJKLVLM-UHFFFAOYSA-N 2 2 389.588 3.506 20 0 GHADLP c1ccc(COC2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000420901392 847520933 /nfs/dbraw/zinc/52/09/33/847520933.db2.gz KYWXPZCWEWSKGA-UHFFFAOYSA-N 2 2 380.532 3.700 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000503263846 847536332 /nfs/dbraw/zinc/53/63/32/847536332.db2.gz ODCHTURHFZIOCK-HSZRJFAPSA-N 2 2 384.483 3.874 20 0 GHADLP Fc1ccc(CC2([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CCOCC2)cc1 ZINC000420918877 847539203 /nfs/dbraw/zinc/53/92/03/847539203.db2.gz AFDIJQZOUZTLSJ-UHFFFAOYSA-N 2 2 398.522 3.539 20 0 GHADLP c1ccc(COC[C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC000420917388 847562765 /nfs/dbraw/zinc/56/27/65/847562765.db2.gz RGUOQOJTPQFKIM-XMMPIXPASA-N 2 2 380.532 3.558 20 0 GHADLP c1ccc(COC[C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC000420917388 847562773 /nfs/dbraw/zinc/56/27/73/847562773.db2.gz RGUOQOJTPQFKIM-XMMPIXPASA-N 2 2 380.532 3.558 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3sccc3Br)CC2)CC1 ZINC000420986760 847593320 /nfs/dbraw/zinc/59/33/20/847593320.db2.gz YUSHENGMTYXREG-UHFFFAOYSA-N 2 2 386.403 3.503 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3sccc3Br)CC2)CC1 ZINC000420986760 847593330 /nfs/dbraw/zinc/59/33/30/847593330.db2.gz YUSHENGMTYXREG-UHFFFAOYSA-N 2 2 386.403 3.503 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3sccc3Br)CC2)CC1 ZINC000420986760 847593339 /nfs/dbraw/zinc/59/33/39/847593339.db2.gz YUSHENGMTYXREG-UHFFFAOYSA-N 2 2 386.403 3.503 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3sccc3Br)CC2)CC1 ZINC000420986760 847593344 /nfs/dbraw/zinc/59/33/44/847593344.db2.gz YUSHENGMTYXREG-UHFFFAOYSA-N 2 2 386.403 3.503 20 0 GHADLP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1OC ZINC000502245768 847636180 /nfs/dbraw/zinc/63/61/80/847636180.db2.gz ZSEJYVLIJAGEJJ-GOSISDBHSA-N 2 2 379.504 3.978 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407944 847672368 /nfs/dbraw/zinc/67/23/68/847672368.db2.gz GOLLAANZEDBFGQ-FPOVZHCZSA-N 2 2 394.563 3.836 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407944 847672373 /nfs/dbraw/zinc/67/23/73/847672373.db2.gz GOLLAANZEDBFGQ-FPOVZHCZSA-N 2 2 394.563 3.836 20 0 GHADLP COc1ccc(Br)cc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000237129020 847693390 /nfs/dbraw/zinc/69/33/90/847693390.db2.gz GLCWFFYRHSNTPK-UHFFFAOYSA-N 2 2 376.298 3.611 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414498670 847713428 /nfs/dbraw/zinc/71/34/28/847713428.db2.gz INHMBUAARUHQOY-PXNSSMCTSA-N 2 2 378.944 3.983 20 0 GHADLP Brc1ccc2nc(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)cn2c1 ZINC000422731621 847787643 /nfs/dbraw/zinc/78/76/43/847787643.db2.gz MBWHSODDPMLYAS-AEFFLSMTSA-N 2 2 385.309 3.680 20 0 GHADLP CCc1cc(OC)ccc1C[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000503559337 847799086 /nfs/dbraw/zinc/79/90/86/847799086.db2.gz FZMSGDNEQMEGRS-NZQKXSOJSA-N 2 2 384.568 3.896 20 0 GHADLP CCc1cc(OC)ccc1C[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000503559337 847799092 /nfs/dbraw/zinc/79/90/92/847799092.db2.gz FZMSGDNEQMEGRS-NZQKXSOJSA-N 2 2 384.568 3.896 20 0 GHADLP CCc1cc(OC)ccc1C[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000503559337 847799101 /nfs/dbraw/zinc/79/91/01/847799101.db2.gz FZMSGDNEQMEGRS-NZQKXSOJSA-N 2 2 384.568 3.896 20 0 GHADLP CCc1cc(OC)ccc1C[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000503559337 847799110 /nfs/dbraw/zinc/79/91/10/847799110.db2.gz FZMSGDNEQMEGRS-NZQKXSOJSA-N 2 2 384.568 3.896 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1OCCc2sccc21 ZINC000429142100 861830514 /nfs/dbraw/zinc/83/05/14/861830514.db2.gz MHKHTSDGXRBCCM-XMSQKQJNSA-N 2 2 385.577 3.552 20 0 GHADLP COc1ccc([C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422820937 847840038 /nfs/dbraw/zinc/84/00/38/847840038.db2.gz SXIDPJROSZZBBL-UXHICEINSA-N 2 2 399.501 3.742 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422899817 847877911 /nfs/dbraw/zinc/87/79/11/847877911.db2.gz PGVLCKHSZIFRRZ-RTFZILSDSA-N 2 2 383.511 3.744 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)[C@H]2CCC[NH2+]2)cc1 ZINC000422971266 847923057 /nfs/dbraw/zinc/92/30/57/847923057.db2.gz XYFRVZPXHUQPJR-ZRBLBEILSA-N 2 2 382.548 3.880 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000423050361 847954198 /nfs/dbraw/zinc/95/41/98/847954198.db2.gz LRHPLVQQDHXHDH-COXVUDFISA-N 2 2 375.513 3.683 20 0 GHADLP COc1cc2cccnc2c(N(c2ccn3cc(N)[nH+]c3c2)[C@H](C)CCC[NH3+])c1 ZINC001167614801 848359011 /nfs/dbraw/zinc/35/90/11/848359011.db2.gz ISUFSAJZRKBIPU-OAHLLOKOSA-N 2 2 390.491 3.739 20 0 GHADLP FC(F)COc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192354992 861926087 /nfs/dbraw/zinc/92/60/87/861926087.db2.gz VCDYEPVGEIMTOB-OAQYLSRUSA-N 2 2 390.474 3.711 20 0 GHADLP FC(F)COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192354992 861926100 /nfs/dbraw/zinc/92/61/00/861926100.db2.gz VCDYEPVGEIMTOB-OAQYLSRUSA-N 2 2 390.474 3.711 20 0 GHADLP CC1CC[NH+](C2CCC(NC(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC2)CC1 ZINC000121107052 848694264 /nfs/dbraw/zinc/69/42/64/848694264.db2.gz YRWVYLLLADOGHZ-UHFFFAOYSA-N 2 2 399.583 3.524 20 0 GHADLP CCc1ccc(C(C)(C)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000180099668 861953043 /nfs/dbraw/zinc/95/30/43/861953043.db2.gz DCBHLBHIUHDDBX-UHFFFAOYSA-N 2 2 395.547 3.545 20 0 GHADLP c1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)ccc1C[NH+]1CCCCC1 ZINC000278023091 848904580 /nfs/dbraw/zinc/90/45/80/848904580.db2.gz JWYBNFDUAPXXLQ-WOJBJXKFSA-N 2 2 382.508 3.648 20 0 GHADLP c1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)ccc1C[NH+]1CCCCC1 ZINC000278023091 848904588 /nfs/dbraw/zinc/90/45/88/848904588.db2.gz JWYBNFDUAPXXLQ-WOJBJXKFSA-N 2 2 382.508 3.648 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000154042030 849173189 /nfs/dbraw/zinc/17/31/89/849173189.db2.gz XAYFUOJAYUJDEC-HJNYFJLDSA-N 2 2 382.552 3.702 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000154042030 849173199 /nfs/dbraw/zinc/17/31/99/849173199.db2.gz XAYFUOJAYUJDEC-HJNYFJLDSA-N 2 2 382.552 3.702 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000583220072 849364749 /nfs/dbraw/zinc/36/47/49/849364749.db2.gz FNJOLTILFZPUDT-RTBURBONSA-N 2 2 394.544 3.947 20 0 GHADLP COc1ccc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1OC ZINC000155215081 849480362 /nfs/dbraw/zinc/48/03/62/849480362.db2.gz MCMLUYPJKIXRSQ-RXVVDRJESA-N 2 2 383.536 3.532 20 0 GHADLP COc1ccc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1OC ZINC000155215081 849480375 /nfs/dbraw/zinc/48/03/75/849480375.db2.gz MCMLUYPJKIXRSQ-RXVVDRJESA-N 2 2 383.536 3.532 20 0 GHADLP CCCOc1ccc(Br)cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657752621 849631532 /nfs/dbraw/zinc/63/15/32/849631532.db2.gz SXCPUEOFCGHOSM-SFHVURJKSA-N 2 2 397.357 3.581 20 0 GHADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1=O ZINC000423138060 849771215 /nfs/dbraw/zinc/77/12/15/849771215.db2.gz RXKFCOLZZLDZSR-GNRVTEMESA-N 2 2 395.522 3.961 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)CC(=O)Nc2cccc(C)c2C)cc1 ZINC000423340756 849874320 /nfs/dbraw/zinc/87/43/20/849874320.db2.gz TVYWDPBMTZGYGA-FRGLQRNOSA-N 2 2 395.547 3.764 20 0 GHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423371330 849876104 /nfs/dbraw/zinc/87/61/04/849876104.db2.gz VCSAILQJGSJYEC-HFAKWTLXSA-N 2 2 377.838 3.664 20 0 GHADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425246634 849900828 /nfs/dbraw/zinc/90/08/28/849900828.db2.gz YGRHCFQMLVHRAC-NQIIRXRSSA-N 2 2 376.504 3.568 20 0 GHADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425246634 849900836 /nfs/dbraw/zinc/90/08/36/849900836.db2.gz YGRHCFQMLVHRAC-NQIIRXRSSA-N 2 2 376.504 3.568 20 0 GHADLP COC[C@@]1(C[NH2+][C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CCC[NH2+]1 ZINC000423443296 849919131 /nfs/dbraw/zinc/91/91/31/849919131.db2.gz WXWCBCYQVYAOBZ-UWJYYQICSA-N 2 2 387.549 3.554 20 0 GHADLP C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000425252912 849940966 /nfs/dbraw/zinc/94/09/66/849940966.db2.gz IEUZXNJYALNPFB-UCNVEGJOSA-N 2 2 376.504 3.739 20 0 GHADLP Cn1cc([C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c2cccc(F)c2)cn1 ZINC000423478573 849941183 /nfs/dbraw/zinc/94/11/83/849941183.db2.gz TYPIBSJARCLBJD-CDNPAEQRSA-N 2 2 396.485 3.771 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(OCc2cccnc2)c1 ZINC000435054225 850027072 /nfs/dbraw/zinc/02/70/72/850027072.db2.gz BCVPFVURKFYLIH-JOCHJYFZSA-N 2 2 391.471 3.718 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(OCc2cccnc2)c1 ZINC000435054225 850027078 /nfs/dbraw/zinc/02/70/78/850027078.db2.gz BCVPFVURKFYLIH-JOCHJYFZSA-N 2 2 391.471 3.718 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)c2c[nH]c3ncccc23)c(C)c1 ZINC000504393653 850049880 /nfs/dbraw/zinc/04/98/80/850049880.db2.gz IMQMBORGMFLNNF-LAUBAEHRSA-N 2 2 387.487 3.979 20 0 GHADLP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000486822698 850143019 /nfs/dbraw/zinc/14/30/19/850143019.db2.gz OLFPBVJRSGQSPD-UXHICEINSA-N 2 2 389.902 3.716 20 0 GHADLP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000486822698 850143026 /nfs/dbraw/zinc/14/30/26/850143026.db2.gz OLFPBVJRSGQSPD-UXHICEINSA-N 2 2 389.902 3.716 20 0 GHADLP OCC[NH+]1CCN(CCCC[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC000467387112 850193189 /nfs/dbraw/zinc/19/31/89/850193189.db2.gz DXPIHBMHUXVPMJ-QFIPXVFZSA-N 2 2 394.003 3.551 20 0 GHADLP C[C@H](C(=O)NCCCCNc1cccc[nH+]1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000518945338 850395823 /nfs/dbraw/zinc/39/58/23/850395823.db2.gz LJRGVURNVJMXBP-HXUWFJFHSA-N 2 2 394.563 3.733 20 0 GHADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000435382403 850447797 /nfs/dbraw/zinc/44/77/97/850447797.db2.gz ZRRHOAIHAODBFV-HUUCEWRRSA-N 2 2 390.325 3.592 20 0 GHADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000435382403 850447803 /nfs/dbraw/zinc/44/78/03/850447803.db2.gz ZRRHOAIHAODBFV-HUUCEWRRSA-N 2 2 390.325 3.592 20 0 GHADLP COc1cc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000435387557 850452979 /nfs/dbraw/zinc/45/29/79/850452979.db2.gz APVMTILWXFKHEK-SFHVURJKSA-N 2 2 391.462 3.836 20 0 GHADLP COc1cc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000435387557 850452985 /nfs/dbraw/zinc/45/29/85/850452985.db2.gz APVMTILWXFKHEK-SFHVURJKSA-N 2 2 391.462 3.836 20 0 GHADLP Cn1ccnc1C[N@H+](Cc1cccc(C(F)(F)F)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435431189 850489403 /nfs/dbraw/zinc/48/94/03/850489403.db2.gz HJEYDRCDANPSLN-KRWDZBQOSA-N 2 2 378.442 3.583 20 0 GHADLP Cn1ccnc1C[N@@H+](Cc1cccc(C(F)(F)F)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435431189 850489410 /nfs/dbraw/zinc/48/94/10/850489410.db2.gz HJEYDRCDANPSLN-KRWDZBQOSA-N 2 2 378.442 3.583 20 0 GHADLP Cc1cc2cc(C[N@@H+](Cc3nccn3C)[C@@H]3CC34CC[NH2+]CC4)oc2cc1C ZINC000435425109 850507605 /nfs/dbraw/zinc/50/76/05/850507605.db2.gz BWBBOZWGQQKAND-OAQYLSRUSA-N 2 2 378.520 3.927 20 0 GHADLP Cc1cc2cc(C[N@H+](Cc3nccn3C)[C@@H]3CC34CC[NH2+]CC4)oc2cc1C ZINC000435425109 850507614 /nfs/dbraw/zinc/50/76/14/850507614.db2.gz BWBBOZWGQQKAND-OAQYLSRUSA-N 2 2 378.520 3.927 20 0 GHADLP CC(C)COc1ccc(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435431360 850515919 /nfs/dbraw/zinc/51/59/19/850515919.db2.gz CUKMWGOZDYBYRX-NRFANRHFSA-N 2 2 382.552 3.599 20 0 GHADLP CC(C)COc1ccc(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435431360 850515926 /nfs/dbraw/zinc/51/59/26/850515926.db2.gz CUKMWGOZDYBYRX-NRFANRHFSA-N 2 2 382.552 3.599 20 0 GHADLP CCOc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)cc(Br)c1OC(F)F ZINC000414802223 850592567 /nfs/dbraw/zinc/59/25/67/850592567.db2.gz VERAFFKJUKPIDX-LBPRGKRZSA-N 2 2 381.261 3.522 20 0 GHADLP CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435611329 850699163 /nfs/dbraw/zinc/69/91/63/850699163.db2.gz ANHDLCULZZUMOE-CYBMUJFWSA-N 2 2 377.838 3.761 20 0 GHADLP CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435611329 850699165 /nfs/dbraw/zinc/69/91/65/850699165.db2.gz ANHDLCULZZUMOE-CYBMUJFWSA-N 2 2 377.838 3.761 20 0 GHADLP C[N@H+](CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435629188 850724917 /nfs/dbraw/zinc/72/49/17/850724917.db2.gz WYWTWZWYAZXBOF-UNMCSNQZSA-N 2 2 385.939 3.620 20 0 GHADLP C[N@@H+](CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435629188 850724925 /nfs/dbraw/zinc/72/49/25/850724925.db2.gz WYWTWZWYAZXBOF-UNMCSNQZSA-N 2 2 385.939 3.620 20 0 GHADLP c1ccc(CCCOc2cccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)c2)cc1 ZINC000732229282 862161436 /nfs/dbraw/zinc/16/14/36/862161436.db2.gz NREFPAHTGLTJGA-VWNXMTODSA-N 2 2 380.532 3.651 20 0 GHADLP c1ccc(CCCOc2cccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)c2)cc1 ZINC000732229282 862161447 /nfs/dbraw/zinc/16/14/47/862161447.db2.gz NREFPAHTGLTJGA-VWNXMTODSA-N 2 2 380.532 3.651 20 0 GHADLP C[NH+](C)CCC[C@@H]1C[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCO1 ZINC000668784614 850760421 /nfs/dbraw/zinc/76/04/21/850760421.db2.gz GSYHEFQWRCPHMD-QGZVFWFLSA-N 2 2 385.335 3.812 20 0 GHADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCO1 ZINC000668784614 850760426 /nfs/dbraw/zinc/76/04/26/850760426.db2.gz GSYHEFQWRCPHMD-QGZVFWFLSA-N 2 2 385.335 3.812 20 0 GHADLP COc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1OCc1ccccc1 ZINC000668784922 850781260 /nfs/dbraw/zinc/78/12/60/850781260.db2.gz KRFGCZQWKQFGFY-JOCHJYFZSA-N 2 2 398.547 3.817 20 0 GHADLP COc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1OCc1ccccc1 ZINC000668784922 850781265 /nfs/dbraw/zinc/78/12/65/850781265.db2.gz KRFGCZQWKQFGFY-JOCHJYFZSA-N 2 2 398.547 3.817 20 0 GHADLP C[C@H](c1cccc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1)[NH+]1CCOCC1 ZINC000522617207 862190158 /nfs/dbraw/zinc/19/01/58/862190158.db2.gz RCAHEEFLVFIUSS-XLIONFOSSA-N 2 2 390.572 3.568 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2ccccc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000519396028 851001502 /nfs/dbraw/zinc/00/15/02/851001502.db2.gz UBUIZGKWXOLQCH-XUVXKRRUSA-N 2 2 389.902 3.739 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2ccccc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000519396028 851001505 /nfs/dbraw/zinc/00/15/05/851001505.db2.gz UBUIZGKWXOLQCH-XUVXKRRUSA-N 2 2 389.902 3.739 20 0 GHADLP CC[N@H+](C)[C@@H](C(=O)Nc1nc2c(s1)C[NH+](C(C)(C)C)CC2)c1ccccc1 ZINC000425084758 851165601 /nfs/dbraw/zinc/16/56/01/851165601.db2.gz RGEYRUJESQKFLB-GOSISDBHSA-N 2 2 386.565 3.931 20 0 GHADLP CC[N@@H+](C)[C@@H](C(=O)Nc1nc2c(s1)C[NH+](C(C)(C)C)CC2)c1ccccc1 ZINC000425084758 851165607 /nfs/dbraw/zinc/16/56/07/851165607.db2.gz RGEYRUJESQKFLB-GOSISDBHSA-N 2 2 386.565 3.931 20 0 GHADLP CC[NH+](C)[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)c1ccccc1 ZINC000425084758 851165611 /nfs/dbraw/zinc/16/56/11/851165611.db2.gz RGEYRUJESQKFLB-GOSISDBHSA-N 2 2 386.565 3.931 20 0 GHADLP CC[NH+](C)[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)c1ccccc1 ZINC000425084758 851165617 /nfs/dbraw/zinc/16/56/17/851165617.db2.gz RGEYRUJESQKFLB-GOSISDBHSA-N 2 2 386.565 3.931 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccccc2Br)C[C@H]2CCCOC2)CC1 ZINC000515564387 851195165 /nfs/dbraw/zinc/19/51/65/851195165.db2.gz LAIGPNDZIFRNLC-MRXNPFEDSA-N 2 2 381.358 3.772 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccccc2Br)C[C@H]2CCCOC2)CC1 ZINC000515564387 851195171 /nfs/dbraw/zinc/19/51/71/851195171.db2.gz LAIGPNDZIFRNLC-MRXNPFEDSA-N 2 2 381.358 3.772 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc3ccccc3C1)CCCS2 ZINC000187755454 851248418 /nfs/dbraw/zinc/24/84/18/851248418.db2.gz JYXLOXMTUMCWLA-DENIHFKCSA-N 2 2 398.572 3.631 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc3ccccc3C1)CCCS2 ZINC000187755454 851248435 /nfs/dbraw/zinc/24/84/35/851248435.db2.gz JYXLOXMTUMCWLA-DENIHFKCSA-N 2 2 398.572 3.631 20 0 GHADLP Clc1nc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)ccc1Br ZINC001167969078 851318632 /nfs/dbraw/zinc/31/86/32/851318632.db2.gz ZORPCSZFKQIHEU-GOOCMWNKSA-N 2 2 384.749 3.993 20 0 GHADLP Clc1nc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)ccc1Br ZINC001167969078 851318639 /nfs/dbraw/zinc/31/86/39/851318639.db2.gz ZORPCSZFKQIHEU-GOOCMWNKSA-N 2 2 384.749 3.993 20 0 GHADLP FC(F)(F)COc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cn1 ZINC000434685652 851475938 /nfs/dbraw/zinc/47/59/38/851475938.db2.gz QVRPEGUEMOVETD-UHFFFAOYSA-N 2 2 394.441 3.935 20 0 GHADLP C[NH+](C)CCOc1ccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000425145329 851510359 /nfs/dbraw/zinc/51/03/59/851510359.db2.gz OAUBRBVGKGSACM-HXUWFJFHSA-N 2 2 378.476 3.511 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000425151143 851528052 /nfs/dbraw/zinc/52/80/52/851528052.db2.gz ZHUCNJISJDMLDU-QFIPXVFZSA-N 2 2 388.515 3.844 20 0 GHADLP COCc1ccccc1/C=C(/C)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000510001250 851576388 /nfs/dbraw/zinc/57/63/88/851576388.db2.gz ZXOKDCJZSVYHFF-ZHZULCJRSA-N 2 2 380.532 3.858 20 0 GHADLP C[C@]1(CNC(=O)NCCCCNc2cccc[nH+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000489054085 851955189 /nfs/dbraw/zinc/95/51/89/851955189.db2.gz PGTNSKCYEULBJK-HSZRJFAPSA-N 2 2 395.551 3.628 20 0 GHADLP C[C@]1(CNC(=O)NCCCCNc2cccc[nH+]2)CCC[N@H+]1Cc1ccccc1 ZINC000489054085 851955196 /nfs/dbraw/zinc/95/51/96/851955196.db2.gz PGTNSKCYEULBJK-HSZRJFAPSA-N 2 2 395.551 3.628 20 0 GHADLP C[C@H](c1nnc(SC[C@H]2CC[N@H+](C)C2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000473795305 852047440 /nfs/dbraw/zinc/04/74/40/852047440.db2.gz JDJQRBKBGROKEZ-KGLIPLIRSA-N 2 2 379.961 3.587 20 0 GHADLP C[C@H](c1nnc(SC[C@H]2CC[N@@H+](C)C2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000473795305 852047449 /nfs/dbraw/zinc/04/74/49/852047449.db2.gz JDJQRBKBGROKEZ-KGLIPLIRSA-N 2 2 379.961 3.587 20 0 GHADLP CCCCC1CCC(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000101999493 852079820 /nfs/dbraw/zinc/07/98/20/852079820.db2.gz KVONDTGMPDFKFS-UHFFFAOYSA-N 2 2 378.605 3.593 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)CC2)cc1 ZINC000550238888 852080130 /nfs/dbraw/zinc/08/01/30/852080130.db2.gz OIELHUNCANDGNR-VWLOTQADSA-N 2 2 397.607 3.584 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)CC2)cc1 ZINC000550238888 852080138 /nfs/dbraw/zinc/08/01/38/852080138.db2.gz OIELHUNCANDGNR-VWLOTQADSA-N 2 2 397.607 3.584 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)CC2)cc1 ZINC000550238888 852080144 /nfs/dbraw/zinc/08/01/44/852080144.db2.gz OIELHUNCANDGNR-VWLOTQADSA-N 2 2 397.607 3.584 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)CC2)cc1 ZINC000550238888 852080151 /nfs/dbraw/zinc/08/01/51/852080151.db2.gz OIELHUNCANDGNR-VWLOTQADSA-N 2 2 397.607 3.584 20 0 GHADLP OCC1CC[NH+](Cc2ccccc2NCc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000438296018 852214924 /nfs/dbraw/zinc/21/49/24/852214924.db2.gz WNSVHKIWWRRULI-UHFFFAOYSA-N 2 2 390.531 3.748 20 0 GHADLP CC(C)[NH2+]C1CCN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1 ZINC000425680422 852625282 /nfs/dbraw/zinc/62/52/82/852625282.db2.gz ZHDBZSCTFXOKNI-UHFFFAOYSA-N 2 2 381.524 3.881 20 0 GHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000427089573 852716749 /nfs/dbraw/zinc/71/67/49/852716749.db2.gz ZVXNNWZRQLRRQN-SLFFLAALSA-N 2 2 393.934 3.746 20 0 GHADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000427089573 852716751 /nfs/dbraw/zinc/71/67/51/852716751.db2.gz ZVXNNWZRQLRRQN-SLFFLAALSA-N 2 2 393.934 3.746 20 0 GHADLP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000427089573 852716752 /nfs/dbraw/zinc/71/67/52/852716752.db2.gz ZVXNNWZRQLRRQN-SLFFLAALSA-N 2 2 393.934 3.746 20 0 GHADLP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000427089573 852716757 /nfs/dbraw/zinc/71/67/57/852716757.db2.gz ZVXNNWZRQLRRQN-SLFFLAALSA-N 2 2 393.934 3.746 20 0 GHADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)CC3 ZINC000490111437 852759362 /nfs/dbraw/zinc/75/93/62/852759362.db2.gz GPVSAWDUSUDFSG-OAQYLSRUSA-N 2 2 389.543 3.956 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000490141606 852788499 /nfs/dbraw/zinc/78/84/99/852788499.db2.gz CJZBGXJVOSTBKZ-YADHBBJMSA-N 2 2 399.966 3.962 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000490141606 852788501 /nfs/dbraw/zinc/78/85/01/852788501.db2.gz CJZBGXJVOSTBKZ-YADHBBJMSA-N 2 2 399.966 3.962 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000490141604 852789042 /nfs/dbraw/zinc/78/90/42/852789042.db2.gz CJZBGXJVOSTBKZ-FGZHOGPDSA-N 2 2 399.966 3.962 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000490141604 852789044 /nfs/dbraw/zinc/78/90/44/852789044.db2.gz CJZBGXJVOSTBKZ-FGZHOGPDSA-N 2 2 399.966 3.962 20 0 GHADLP C[NH+](C)CCCCCCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000151063378 853014125 /nfs/dbraw/zinc/01/41/25/853014125.db2.gz JELBHMZSRGOKKG-VXKWHMMOSA-N 2 2 397.567 3.923 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000516876505 853106408 /nfs/dbraw/zinc/10/64/08/853106408.db2.gz ZPJHICQHZMWIGB-KDURUIRLSA-N 2 2 395.547 3.652 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000516876505 853106410 /nfs/dbraw/zinc/10/64/10/853106410.db2.gz ZPJHICQHZMWIGB-KDURUIRLSA-N 2 2 395.547 3.652 20 0 GHADLP C[C@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000490566811 853111399 /nfs/dbraw/zinc/11/13/99/853111399.db2.gz PVNMTAGQODFFBN-KZNAEPCWSA-N 2 2 394.523 3.523 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000518262576 853153083 /nfs/dbraw/zinc/15/30/83/853153083.db2.gz OVSNIOOXUKAGCM-ICSRJNTNSA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000518262576 853153088 /nfs/dbraw/zinc/15/30/88/853153088.db2.gz OVSNIOOXUKAGCM-ICSRJNTNSA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000518262576 853153092 /nfs/dbraw/zinc/15/30/92/853153092.db2.gz OVSNIOOXUKAGCM-ICSRJNTNSA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000518262576 853153098 /nfs/dbraw/zinc/15/30/98/853153098.db2.gz OVSNIOOXUKAGCM-ICSRJNTNSA-N 2 2 382.504 3.583 20 0 GHADLP CCc1ccc(-c2noc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)n2)cc1 ZINC000506051386 853161137 /nfs/dbraw/zinc/16/11/37/853161137.db2.gz KDCQYNMHMGSGCU-UHFFFAOYSA-N 2 2 398.551 3.623 20 0 GHADLP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491055054 853429237 /nfs/dbraw/zinc/42/92/37/853429237.db2.gz DYMKWNMJPDRCEV-FGZHOGPDSA-N 2 2 385.596 3.630 20 0 GHADLP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491055054 853429243 /nfs/dbraw/zinc/42/92/43/853429243.db2.gz DYMKWNMJPDRCEV-FGZHOGPDSA-N 2 2 385.596 3.630 20 0 GHADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491063690 853434035 /nfs/dbraw/zinc/43/40/35/853434035.db2.gz VHVUZHGXGHDLOH-IRLDBZIGSA-N 2 2 375.601 3.970 20 0 GHADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491063690 853434047 /nfs/dbraw/zinc/43/40/47/853434047.db2.gz VHVUZHGXGHDLOH-IRLDBZIGSA-N 2 2 375.601 3.970 20 0 GHADLP C[NH+](C)CCC[C@H]1CN(c2cc[nH+]c3cc(F)c(Br)cc32)CCO1 ZINC000664655637 853518933 /nfs/dbraw/zinc/51/89/33/853518933.db2.gz BOWNREWNSFRMNW-ZDUSSCGKSA-N 2 2 396.304 3.683 20 0 GHADLP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000414998537 853649713 /nfs/dbraw/zinc/64/97/13/853649713.db2.gz ICTZAUNZQPDNJA-XVFIICMOSA-N 2 2 381.539 3.944 20 0 GHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000440861478 853686461 /nfs/dbraw/zinc/68/64/61/853686461.db2.gz MIVZLNICOAMWIE-OAQYLSRUSA-N 2 2 394.523 3.526 20 0 GHADLP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000571342475 853848237 /nfs/dbraw/zinc/84/82/37/853848237.db2.gz AHQSVZHCLFAFKM-HXUWFJFHSA-N 2 2 395.551 3.601 20 0 GHADLP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000571342475 853848240 /nfs/dbraw/zinc/84/82/40/853848240.db2.gz AHQSVZHCLFAFKM-HXUWFJFHSA-N 2 2 395.551 3.601 20 0 GHADLP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000571342475 853848242 /nfs/dbraw/zinc/84/82/42/853848242.db2.gz AHQSVZHCLFAFKM-HXUWFJFHSA-N 2 2 395.551 3.601 20 0 GHADLP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000571342475 853848244 /nfs/dbraw/zinc/84/82/44/853848244.db2.gz AHQSVZHCLFAFKM-HXUWFJFHSA-N 2 2 395.551 3.601 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NC2CCC(C)CC2)c(C)c1 ZINC000441375928 854160612 /nfs/dbraw/zinc/16/06/12/854160612.db2.gz CFMXEXZNZASMOK-SMBBENKFSA-N 2 2 382.552 3.914 20 0 GHADLP CCN(C(=O)NCCCNc1cccc[nH+]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473941082 854354297 /nfs/dbraw/zinc/35/42/97/854354297.db2.gz BJHRRGGHTPGCDP-PZJWPPBQSA-N 2 2 395.551 3.751 20 0 GHADLP CCN(C(=O)NCCCNc1cccc[nH+]1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473941082 854354307 /nfs/dbraw/zinc/35/43/07/854354307.db2.gz BJHRRGGHTPGCDP-PZJWPPBQSA-N 2 2 395.551 3.751 20 0 GHADLP c1ccc2sc(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)CC3)nc2c1 ZINC001167993985 854424738 /nfs/dbraw/zinc/42/47/38/854424738.db2.gz VBJLYGQNLVEUPJ-DFNIBXOVSA-N 2 2 382.577 3.824 20 0 GHADLP c1ccc2sc(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)CC3)nc2c1 ZINC001167993985 854424742 /nfs/dbraw/zinc/42/47/42/854424742.db2.gz VBJLYGQNLVEUPJ-DFNIBXOVSA-N 2 2 382.577 3.824 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(Sc2ccccc2)CCCC1 ZINC000604866374 862571706 /nfs/dbraw/zinc/57/17/06/862571706.db2.gz PKVSYPVXFQODKD-UHFFFAOYSA-N 2 2 389.609 3.576 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(Sc2ccccc2)CCCC1 ZINC000604866374 862571719 /nfs/dbraw/zinc/57/17/19/862571719.db2.gz PKVSYPVXFQODKD-UHFFFAOYSA-N 2 2 389.609 3.576 20 0 GHADLP O=C1[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCN1c1ccccc1Cl ZINC000111372060 854746633 /nfs/dbraw/zinc/74/66/33/854746633.db2.gz HAUCNUCMHBICGC-OAQYLSRUSA-N 2 2 397.950 3.742 20 0 GHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H]2C[N@@H+]4CCC[C@H]4CO2)CCC3)cc1 ZINC000765789682 854820352 /nfs/dbraw/zinc/82/03/52/854820352.db2.gz CQCFZIQXAOEMKU-YTQUADARSA-N 2 2 399.560 3.649 20 0 GHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H]2C[N@H+]4CCC[C@H]4CO2)CCC3)cc1 ZINC000765789682 854820355 /nfs/dbraw/zinc/82/03/55/854820355.db2.gz CQCFZIQXAOEMKU-YTQUADARSA-N 2 2 399.560 3.649 20 0 GHADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(I)cc1 ZINC000589350003 854821442 /nfs/dbraw/zinc/82/14/42/854821442.db2.gz QRFORSNPURLWAV-UONOGXRCSA-N 2 2 381.261 3.613 20 0 GHADLP CN(C(=O)[C@H]1CCC=CCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001128012109 854827033 /nfs/dbraw/zinc/82/70/33/854827033.db2.gz XNBSAKMRLOQWEY-KSEOMHKRSA-N 2 2 375.601 3.919 20 0 GHADLP CN(C(=O)[C@H]1CCC=CCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001128012109 854827038 /nfs/dbraw/zinc/82/70/38/854827038.db2.gz XNBSAKMRLOQWEY-KSEOMHKRSA-N 2 2 375.601 3.919 20 0 GHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)([NH+]2CCCCC2)CC1 ZINC000465615443 854843901 /nfs/dbraw/zinc/84/39/01/854843901.db2.gz KNFMPERWKZYNBP-PWRODBHTSA-N 2 2 390.616 3.595 20 0 GHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)([NH+]2CCCCC2)CC1 ZINC000465615444 854848129 /nfs/dbraw/zinc/84/81/29/854848129.db2.gz KNFMPERWKZYNBP-QHAWAJNXSA-N 2 2 390.616 3.595 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000765797387 854852990 /nfs/dbraw/zinc/85/29/90/854852990.db2.gz ODSDIHVQNOJWMH-HYVJGQCMSA-N 2 2 384.495 3.919 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000765797387 854852993 /nfs/dbraw/zinc/85/29/93/854852993.db2.gz ODSDIHVQNOJWMH-HYVJGQCMSA-N 2 2 384.495 3.919 20 0 GHADLP CC[C@@H]1CCCC[C@H]1N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466593842 862617677 /nfs/dbraw/zinc/61/76/77/862617677.db2.gz URRXWHHWHMFQPW-WOJBJXKFSA-N 2 2 378.605 3.547 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(F)c(Cl)cc1Cl ZINC000482023537 862618358 /nfs/dbraw/zinc/61/83/58/862618358.db2.gz BDHPCRZHJRADJP-SJKOYZFVSA-N 2 2 390.330 3.726 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(F)c(Cl)cc1Cl ZINC000482023537 862618360 /nfs/dbraw/zinc/61/83/60/862618360.db2.gz BDHPCRZHJRADJP-SJKOYZFVSA-N 2 2 390.330 3.726 20 0 GHADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441453855 854925265 /nfs/dbraw/zinc/92/52/65/854925265.db2.gz ZYLCMLCCDZYVOL-UNMCSNQZSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441453855 854925271 /nfs/dbraw/zinc/92/52/71/854925271.db2.gz ZYLCMLCCDZYVOL-UNMCSNQZSA-N 2 2 383.580 3.622 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1OCc1c(C)noc1C ZINC000655855745 855284367 /nfs/dbraw/zinc/28/43/67/855284367.db2.gz HRTNWIWTBILNJH-NHCUHLMSSA-N 2 2 399.535 3.986 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1OCc1c(C)noc1C ZINC000655855745 855284378 /nfs/dbraw/zinc/28/43/78/855284378.db2.gz HRTNWIWTBILNJH-NHCUHLMSSA-N 2 2 399.535 3.986 20 0 GHADLP Cc1cc(C)c(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c[nH+]1 ZINC000459072973 855383647 /nfs/dbraw/zinc/38/36/47/855383647.db2.gz IXIDTSUKXQPFFT-UGKGYDQZSA-N 2 2 380.536 3.893 20 0 GHADLP Cc1cc(C)c(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c[nH+]1 ZINC000459072973 855383655 /nfs/dbraw/zinc/38/36/55/855383655.db2.gz IXIDTSUKXQPFFT-UGKGYDQZSA-N 2 2 380.536 3.893 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NC3[C@H](C)C[NH+](Cc4ccccc4)C[C@H]3C)ccn12 ZINC000572973525 855448059 /nfs/dbraw/zinc/44/80/59/855448059.db2.gz ZXFGYWQXWDPSRP-IAGOWNOFSA-N 2 2 376.504 3.529 20 0 GHADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000590728121 855547792 /nfs/dbraw/zinc/54/77/92/855547792.db2.gz QNRFYMFKJLWZLF-HSZRJFAPSA-N 2 2 388.515 3.992 20 0 GHADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000590728121 855547803 /nfs/dbraw/zinc/54/78/03/855547803.db2.gz QNRFYMFKJLWZLF-HSZRJFAPSA-N 2 2 388.515 3.992 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190649737 855592411 /nfs/dbraw/zinc/59/24/11/855592411.db2.gz ONPVWGAYGQPLOG-RTBURBONSA-N 2 2 389.588 3.520 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000190649737 855592419 /nfs/dbraw/zinc/59/24/19/855592419.db2.gz ONPVWGAYGQPLOG-RTBURBONSA-N 2 2 389.588 3.520 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000590851689 855615056 /nfs/dbraw/zinc/61/50/56/855615056.db2.gz CDBCQBZNLPMIQP-UGKGYDQZSA-N 2 2 395.551 3.662 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000590851689 855615058 /nfs/dbraw/zinc/61/50/58/855615058.db2.gz CDBCQBZNLPMIQP-UGKGYDQZSA-N 2 2 395.551 3.662 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590851823 855615163 /nfs/dbraw/zinc/61/51/63/855615163.db2.gz UISZZRBFPQYCRY-KNQAVFIVSA-N 2 2 395.551 3.804 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000590851823 855615172 /nfs/dbraw/zinc/61/51/72/855615172.db2.gz UISZZRBFPQYCRY-KNQAVFIVSA-N 2 2 395.551 3.804 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)o1 ZINC000590919498 855652490 /nfs/dbraw/zinc/65/24/90/855652490.db2.gz RRIHHAFURPJKJG-GOSISDBHSA-N 2 2 399.535 3.649 20 0 GHADLP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000057847214 855765388 /nfs/dbraw/zinc/76/53/88/855765388.db2.gz WHDLKNHNAKTRBS-CQSZACIVSA-N 2 2 396.919 3.629 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000192089168 855787207 /nfs/dbraw/zinc/78/72/07/855787207.db2.gz WWYAUMBQGKQZJC-UHFFFAOYSA-N 2 2 395.551 3.777 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000591429533 855974562 /nfs/dbraw/zinc/97/45/62/855974562.db2.gz IFWIJKFWKNCNFF-UTKZUKDTSA-N 2 2 385.577 3.694 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000591429533 855974576 /nfs/dbraw/zinc/97/45/76/855974576.db2.gz IFWIJKFWKNCNFF-UTKZUKDTSA-N 2 2 385.577 3.694 20 0 GHADLP OCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000624290184 855984568 /nfs/dbraw/zinc/98/45/68/855984568.db2.gz XANODJXPZLUCHZ-OALUTQOASA-N 2 2 387.351 3.650 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(C)c1 ZINC000624782260 856355551 /nfs/dbraw/zinc/35/55/51/856355551.db2.gz HNNJYQAUYOEQKJ-RBBKRZOGSA-N 2 2 395.551 3.557 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c(C)c1 ZINC000624782260 856355561 /nfs/dbraw/zinc/35/55/61/856355561.db2.gz HNNJYQAUYOEQKJ-RBBKRZOGSA-N 2 2 395.551 3.557 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485390267 856431584 /nfs/dbraw/zinc/43/15/84/856431584.db2.gz YACZAJYYHMOUJC-SVFBPWRDSA-N 2 2 375.520 3.829 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485390267 856431589 /nfs/dbraw/zinc/43/15/89/856431589.db2.gz YACZAJYYHMOUJC-SVFBPWRDSA-N 2 2 375.520 3.829 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043517516 856537356 /nfs/dbraw/zinc/53/73/56/856537356.db2.gz MONYWBWUYRRVBP-SFHVURJKSA-N 2 2 399.564 3.525 20 0 GHADLP CCN(C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC000507898267 856647472 /nfs/dbraw/zinc/64/74/72/856647472.db2.gz XGQQZLSJYRBTGX-GCJKJVERSA-N 2 2 376.504 3.972 20 0 GHADLP CCN(C(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC000507898267 856647474 /nfs/dbraw/zinc/64/74/74/856647474.db2.gz XGQQZLSJYRBTGX-GCJKJVERSA-N 2 2 376.504 3.972 20 0 GHADLP CCCCNc1cc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)nc(N)[nH+]1 ZINC000672216426 856862797 /nfs/dbraw/zinc/86/27/97/856862797.db2.gz IGQPOFWJOXBBLC-QGZVFWFLSA-N 2 2 398.555 3.583 20 0 GHADLP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3sc(Cl)nc3Cl)(C1)CCC2 ZINC001279170544 857230714 /nfs/dbraw/zinc/23/07/14/857230714.db2.gz ASZCGVBTKVSFRV-JKSUJKDBSA-N 2 2 377.385 3.536 20 0 GHADLP COc1cc2ccc([C@H](C)[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2cc1OC ZINC000658295591 857268080 /nfs/dbraw/zinc/26/80/80/857268080.db2.gz NZFUDNMVRFYHKV-HRAATJIYSA-N 2 2 384.520 3.761 20 0 GHADLP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658296891 857278567 /nfs/dbraw/zinc/27/85/67/857278567.db2.gz WOAWIAHDHSSBEU-UXHICEINSA-N 2 2 395.385 3.859 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000058958823 857380848 /nfs/dbraw/zinc/38/08/48/857380848.db2.gz QKYLKEBHBCVMCW-UHFFFAOYSA-N 2 2 381.520 3.578 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)ccc21 ZINC000574272026 857488337 /nfs/dbraw/zinc/48/83/37/857488337.db2.gz WWIUYTJDXHIBFS-LJQANCHMSA-N 2 2 389.503 3.547 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)ccc21 ZINC000574272026 857488347 /nfs/dbraw/zinc/48/83/47/857488347.db2.gz WWIUYTJDXHIBFS-LJQANCHMSA-N 2 2 389.503 3.547 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccn(-c4ccccc4)n3)CC2)cc1 ZINC000163204914 862920657 /nfs/dbraw/zinc/92/06/57/862920657.db2.gz VCGSUWHUPLXXHY-UHFFFAOYSA-N 2 2 375.520 3.697 20 0 GHADLP CCC[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000675886097 857661404 /nfs/dbraw/zinc/66/14/04/857661404.db2.gz NFPXBQGVRUWXBQ-VQTJNVASSA-N 2 2 399.501 3.543 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675920784 857665153 /nfs/dbraw/zinc/66/51/53/857665153.db2.gz KZQZUYFJGSYTST-OXJNMPFZSA-N 2 2 380.467 3.850 20 0 GHADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000675918228 857665266 /nfs/dbraw/zinc/66/52/66/857665266.db2.gz FJWQSWBRGBMNSL-WMZHIEFXSA-N 3 2 392.547 3.995 20 0 GHADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919911 857666021 /nfs/dbraw/zinc/66/60/21/857666021.db2.gz PMLHJSPOOSBOIM-FXAWDEMLSA-N 2 2 392.503 3.719 20 0 GHADLP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000672905815 857851972 /nfs/dbraw/zinc/85/19/72/857851972.db2.gz AGWPLTWTBOROPU-NRFANRHFSA-N 2 2 397.567 3.611 20 0 GHADLP CSc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000442712622 858068357 /nfs/dbraw/zinc/06/83/57/858068357.db2.gz GQCGOPVESBXQKS-QGZVFWFLSA-N 2 2 383.561 3.647 20 0 GHADLP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000521590466 858153636 /nfs/dbraw/zinc/15/36/36/858153636.db2.gz ATZOMKLIXARUPM-SSKFGXFMSA-N 2 2 389.503 3.631 20 0 GHADLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c(C)c1 ZINC000922158255 858160650 /nfs/dbraw/zinc/16/06/50/858160650.db2.gz HPINYIXAJDGSNR-UHFFFAOYSA-N 2 2 381.520 3.716 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000521628590 858195135 /nfs/dbraw/zinc/19/51/35/858195135.db2.gz UBNDLKQNDFRNEK-RTWAWAEBSA-N 2 2 385.939 3.896 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000574819771 858331137 /nfs/dbraw/zinc/33/11/37/858331137.db2.gz KUBDSGODEWCPIS-NQIIRXRSSA-N 2 2 390.487 3.598 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000574819771 858331140 /nfs/dbraw/zinc/33/11/40/858331140.db2.gz KUBDSGODEWCPIS-NQIIRXRSSA-N 2 2 390.487 3.598 20 0 GHADLP Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000521876248 858408277 /nfs/dbraw/zinc/40/82/77/858408277.db2.gz SVGYKAACYQRGIW-IHPCNDPISA-N 2 2 379.504 3.785 20 0 GHADLP Cc1ccc(Oc2ccccc2NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000521876248 858408284 /nfs/dbraw/zinc/40/82/84/858408284.db2.gz SVGYKAACYQRGIW-IHPCNDPISA-N 2 2 379.504 3.785 20 0 GHADLP CCC1CCC(N(C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000466136809 858436614 /nfs/dbraw/zinc/43/66/14/858436614.db2.gz FNRYPZKSJPSWIE-UHFFFAOYSA-N 2 2 378.605 3.547 20 0 GHADLP CC(C)[C@@H](CC1CCCCC1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000115351970 858505674 /nfs/dbraw/zinc/50/56/74/858505674.db2.gz VMQUMXWPARZKHI-JOCHJYFZSA-N 2 2 377.617 3.904 20 0 GHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2c2ccsc2)([NH+]2CCCCC2)CC1 ZINC000466160247 858523211 /nfs/dbraw/zinc/52/32/11/858523211.db2.gz VZTCXOCMDWIYKJ-LJQANCHMSA-N 2 2 390.597 3.545 20 0 GHADLP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000761116347 858567394 /nfs/dbraw/zinc/56/73/94/858567394.db2.gz BHZNEWHHFBDKLF-GOSISDBHSA-N 2 2 379.426 3.580 20 0 GHADLP Cc1cccc(COc2ccc([C@@H](C)[NH2+]CCC[N@@H+]3CCC[C@@H]3C(N)=O)cc2)c1 ZINC000482643635 858718361 /nfs/dbraw/zinc/71/83/61/858718361.db2.gz PZJZXZMPEYKECB-AUSIDOKSSA-N 2 2 395.547 3.564 20 0 GHADLP Cc1cccc(COc2ccc([C@@H](C)[NH2+]CCC[N@H+]3CCC[C@@H]3C(N)=O)cc2)c1 ZINC000482643635 858718365 /nfs/dbraw/zinc/71/83/65/858718365.db2.gz PZJZXZMPEYKECB-AUSIDOKSSA-N 2 2 395.547 3.564 20 0 GHADLP Cc1ccccc1-c1nc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)no1 ZINC000134082076 858830730 /nfs/dbraw/zinc/83/07/30/858830730.db2.gz KAPMQNKXJOYPCB-RTBURBONSA-N 2 2 398.551 3.756 20 0 GHADLP CN(C)c1cc[nH+]cc1C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000184095405 858873775 /nfs/dbraw/zinc/87/37/75/858873775.db2.gz CXGLOHSSYFHJOV-UHFFFAOYSA-N 2 2 398.510 3.675 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000922968127 858906276 /nfs/dbraw/zinc/90/62/76/858906276.db2.gz IJBJOERUMATHOY-LSDHHAIUSA-N 2 2 376.526 3.717 20 0 GHADLP O=C1[C@@H]([NH+]2CCC(CCC[NH+]3CCCC3)CC2)CCN1c1c(F)cccc1F ZINC000443604488 859033218 /nfs/dbraw/zinc/03/32/18/859033218.db2.gz OIPVJUUHSOMCRY-FQEVSTJZSA-N 2 2 391.506 3.658 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1nc2ccc(F)cc2s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185767726 859126846 /nfs/dbraw/zinc/12/68/46/859126846.db2.gz YVFMREMZGKCVMN-KGLIPLIRSA-N 2 2 390.528 3.617 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1nc2ccc(F)cc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185767726 859126853 /nfs/dbraw/zinc/12/68/53/859126853.db2.gz YVFMREMZGKCVMN-KGLIPLIRSA-N 2 2 390.528 3.617 20 0 GHADLP Clc1ccc(N2CCOCC2)c(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000466362931 859230023 /nfs/dbraw/zinc/23/00/23/859230023.db2.gz SGOSOTGRRKEMET-UHFFFAOYSA-N 2 2 388.924 3.714 20 0 GHADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000483280563 859266942 /nfs/dbraw/zinc/26/69/42/859266942.db2.gz VTPKJZCAPZQVHQ-HXUWFJFHSA-N 2 2 382.552 3.747 20 0 GHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000483280563 859266955 /nfs/dbraw/zinc/26/69/55/859266955.db2.gz VTPKJZCAPZQVHQ-HXUWFJFHSA-N 2 2 382.552 3.747 20 0 GHADLP CC(C)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2ccccc2n1 ZINC000601477047 859287638 /nfs/dbraw/zinc/28/76/38/859287638.db2.gz AOIGNOUAMYDULQ-IBGZPJMESA-N 2 2 394.563 3.599 20 0 GHADLP CC(C)c1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2ccccc2n1 ZINC000601477047 859287646 /nfs/dbraw/zinc/28/76/46/859287646.db2.gz AOIGNOUAMYDULQ-IBGZPJMESA-N 2 2 394.563 3.599 20 0 GHADLP CN(C(=O)c1cc2c(cccc2Cl)s1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477245 859288116 /nfs/dbraw/zinc/28/81/16/859288116.db2.gz HQCGAGVVALKXQP-OAHLLOKOSA-N 2 2 391.968 3.795 20 0 GHADLP CN(C(=O)c1cc2c(cccc2Cl)s1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477245 859288126 /nfs/dbraw/zinc/28/81/26/859288126.db2.gz HQCGAGVVALKXQP-OAHLLOKOSA-N 2 2 391.968 3.795 20 0 GHADLP Cc1ccc([C@H]2CCCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000051761640 859313380 /nfs/dbraw/zinc/31/33/80/859313380.db2.gz JUJMSGVYRCEAQI-HSZRJFAPSA-N 2 2 398.595 3.709 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1N(C)C ZINC000429445006 859391036 /nfs/dbraw/zinc/39/10/36/859391036.db2.gz IIIIQWGWUHRUSE-NQIIRXRSSA-N 2 2 385.527 3.833 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1N(C)C ZINC000429445006 859391043 /nfs/dbraw/zinc/39/10/43/859391043.db2.gz IIIIQWGWUHRUSE-NQIIRXRSSA-N 2 2 385.527 3.833 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000483468690 859394771 /nfs/dbraw/zinc/39/47/71/859394771.db2.gz FHSURSCTFSSJQP-PMOQBDJRSA-N 2 2 393.531 3.791 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000483468690 859394777 /nfs/dbraw/zinc/39/47/77/859394777.db2.gz FHSURSCTFSSJQP-PMOQBDJRSA-N 2 2 393.531 3.791 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000483468690 859394785 /nfs/dbraw/zinc/39/47/85/859394785.db2.gz FHSURSCTFSSJQP-PMOQBDJRSA-N 2 2 393.531 3.791 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000483468690 859394789 /nfs/dbraw/zinc/39/47/89/859394789.db2.gz FHSURSCTFSSJQP-PMOQBDJRSA-N 2 2 393.531 3.791 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(O)c3Cl)C2)ccn1 ZINC000856558174 881424596 /nfs/dbraw/zinc/42/45/96/881424596.db2.gz GRNPSVSZZRBTAE-LJQANCHMSA-N 2 2 389.927 3.934 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(O)c3Cl)C2)ccn1 ZINC000856558174 881424609 /nfs/dbraw/zinc/42/46/09/881424609.db2.gz GRNPSVSZZRBTAE-LJQANCHMSA-N 2 2 389.927 3.934 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc(O)c3Cl)C2)ccn1 ZINC000856558174 881424614 /nfs/dbraw/zinc/42/46/14/881424614.db2.gz GRNPSVSZZRBTAE-LJQANCHMSA-N 2 2 389.927 3.934 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc(O)c3Cl)C2)ccn1 ZINC000856558174 881424618 /nfs/dbraw/zinc/42/46/18/881424618.db2.gz GRNPSVSZZRBTAE-LJQANCHMSA-N 2 2 389.927 3.934 20 0 GHADLP c1nc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cs1 ZINC000060524081 859456786 /nfs/dbraw/zinc/45/67/86/859456786.db2.gz OXVKTIANBLQGTJ-UHFFFAOYSA-N 2 2 378.545 3.755 20 0 GHADLP CCc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1CC ZINC000487650631 859560491 /nfs/dbraw/zinc/56/04/91/859560491.db2.gz IHXLPDGIELRUDC-UHFFFAOYSA-N 2 2 386.584 3.883 20 0 GHADLP COc1ccccc1C[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@@H]1CCCO1 ZINC000543397880 859565380 /nfs/dbraw/zinc/56/53/80/859565380.db2.gz JBKHPASTEQGZEW-QFIPXVFZSA-N 2 2 392.503 3.766 20 0 GHADLP COc1ccccc1C[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@@H]1CCCO1 ZINC000543397880 859565384 /nfs/dbraw/zinc/56/53/84/859565384.db2.gz JBKHPASTEQGZEW-QFIPXVFZSA-N 2 2 392.503 3.766 20 0 GHADLP COc1ccc(Cl)c(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000483935108 859706710 /nfs/dbraw/zinc/70/67/10/859706710.db2.gz ZOMGYQILGSMFHU-UHFFFAOYSA-N 3 2 394.003 3.977 20 0 GHADLP COc1ccc(Cl)c(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000483935108 859706716 /nfs/dbraw/zinc/70/67/16/859706716.db2.gz ZOMGYQILGSMFHU-UHFFFAOYSA-N 3 2 394.003 3.977 20 0 GHADLP O[C@H](C[N@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1)C[NH+]1CCCC1 ZINC000729543841 859722551 /nfs/dbraw/zinc/72/25/51/859722551.db2.gz RZWBAKBTDQFALX-SFHVURJKSA-N 2 2 386.458 3.787 20 0 GHADLP O[C@H](C[N@@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1)C[NH+]1CCCC1 ZINC000729543841 859722561 /nfs/dbraw/zinc/72/25/61/859722561.db2.gz RZWBAKBTDQFALX-SFHVURJKSA-N 2 2 386.458 3.787 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000474292174 859771452 /nfs/dbraw/zinc/77/14/52/859771452.db2.gz MGWVOAXPPMAJRO-UHFFFAOYSA-N 2 2 398.457 3.535 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000484144521 859830441 /nfs/dbraw/zinc/83/04/41/859830441.db2.gz WCPDEAAZSSDSQN-OXQOHEQNSA-N 2 2 394.437 3.873 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000484144521 859830453 /nfs/dbraw/zinc/83/04/53/859830453.db2.gz WCPDEAAZSSDSQN-OXQOHEQNSA-N 2 2 394.437 3.873 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(OC(F)(F)F)c1 ZINC000484142641 859830693 /nfs/dbraw/zinc/83/06/93/859830693.db2.gz SNNCADVMCUXXEB-OXJNMPFZSA-N 2 2 394.437 3.873 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC(F)(F)F)c1 ZINC000484142641 859830700 /nfs/dbraw/zinc/83/07/00/859830700.db2.gz SNNCADVMCUXXEB-OXJNMPFZSA-N 2 2 394.437 3.873 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000484166013 859858587 /nfs/dbraw/zinc/85/85/87/859858587.db2.gz QFSUQXMNZCAJAP-HRAATJIYSA-N 2 2 376.447 3.576 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000484166013 859858590 /nfs/dbraw/zinc/85/85/90/859858590.db2.gz QFSUQXMNZCAJAP-HRAATJIYSA-N 2 2 376.447 3.576 20 0 GHADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cc3ccccc3nc2N2CCOCC2)CC1 ZINC000895827551 859974400 /nfs/dbraw/zinc/97/44/00/859974400.db2.gz MVXTXMUFJAHYRD-UHFFFAOYSA-N 2 2 394.563 3.522 20 0 GHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428866047 860065333 /nfs/dbraw/zinc/06/53/33/860065333.db2.gz XVESELAZQDGCBX-WBVHZDCISA-N 2 2 384.467 3.740 20 0 GHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428866047 860065338 /nfs/dbraw/zinc/06/53/38/860065338.db2.gz XVESELAZQDGCBX-WBVHZDCISA-N 2 2 384.467 3.740 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428866044 860065522 /nfs/dbraw/zinc/06/55/22/860065522.db2.gz XVESELAZQDGCBX-DOTOQJQBSA-N 2 2 384.467 3.740 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428866044 860065530 /nfs/dbraw/zinc/06/55/30/860065530.db2.gz XVESELAZQDGCBX-DOTOQJQBSA-N 2 2 384.467 3.740 20 0 GHADLP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc(C)cc1Br)C[C@@H]1CCCO1 ZINC000499904216 860137922 /nfs/dbraw/zinc/13/79/22/860137922.db2.gz AHLMTPXLTMYBSI-SFHVURJKSA-N 2 2 392.341 3.944 20 0 GHADLP Cc1[nH+]ccn1CC[N@H+](Cc1ccc(C)cc1Br)C[C@@H]1CCCO1 ZINC000499904216 860137929 /nfs/dbraw/zinc/13/79/29/860137929.db2.gz AHLMTPXLTMYBSI-SFHVURJKSA-N 2 2 392.341 3.944 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000921536455 860222819 /nfs/dbraw/zinc/22/28/19/860222819.db2.gz QQBDAXOUYNCQOK-AWEZNQCLSA-N 2 2 377.330 3.836 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000921536455 860222830 /nfs/dbraw/zinc/22/28/30/860222830.db2.gz QQBDAXOUYNCQOK-AWEZNQCLSA-N 2 2 377.330 3.836 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccsc1 ZINC000474505550 860254964 /nfs/dbraw/zinc/25/49/64/860254964.db2.gz IZQXGDTWZBFECA-VQTJNVASSA-N 2 2 389.540 3.661 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccsc1 ZINC000474505550 860254971 /nfs/dbraw/zinc/25/49/71/860254971.db2.gz IZQXGDTWZBFECA-VQTJNVASSA-N 2 2 389.540 3.661 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc2c(c1)CC(=O)N2C ZINC000765699692 860419718 /nfs/dbraw/zinc/41/97/18/860419718.db2.gz ZFRKINRVDLLCBR-KRWDZBQOSA-N 2 2 392.547 3.591 20 0 GHADLP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c(OC)c1 ZINC000508991576 860455673 /nfs/dbraw/zinc/45/56/73/860455673.db2.gz NXHZBIWJBOQFGA-IBGZPJMESA-N 2 2 383.536 3.567 20 0 GHADLP Fc1cccc(Br)c1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904475203 860466439 /nfs/dbraw/zinc/46/64/39/860466439.db2.gz ZMFUACAEJCSVSO-MJGOQNOKSA-N 2 2 391.284 3.934 20 0 GHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccc(C(C)(C)[NH3+])cc3)CC2)c1 ZINC000904575927 860520891 /nfs/dbraw/zinc/52/08/91/860520891.db2.gz DPJAPHNIYIDIJK-KRWDZBQOSA-N 2 2 396.535 3.800 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000904639613 860540588 /nfs/dbraw/zinc/54/05/88/860540588.db2.gz JUYTZBIWZWGYPM-MOPGFXCFSA-N 2 2 390.890 3.895 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000904639613 860540594 /nfs/dbraw/zinc/54/05/94/860540594.db2.gz JUYTZBIWZWGYPM-MOPGFXCFSA-N 2 2 390.890 3.895 20 0 GHADLP COc1ccc(Br)cc1-c1nc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cs1 ZINC000484972457 860563209 /nfs/dbraw/zinc/56/32/09/860563209.db2.gz OMWWVFBPGIVVHU-NWDGAFQWSA-N 2 2 396.354 3.750 20 0 GHADLP COc1ccc(Br)cc1-c1nc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cs1 ZINC000484972457 860563214 /nfs/dbraw/zinc/56/32/14/860563214.db2.gz OMWWVFBPGIVVHU-NWDGAFQWSA-N 2 2 396.354 3.750 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(=O)N1c2ccccc2C[C@H]1C ZINC000453375876 860683258 /nfs/dbraw/zinc/68/32/58/860683258.db2.gz PFYJHLYCUKLOLP-JHBZICRXSA-N 2 2 377.532 3.778 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(=O)N1c2ccccc2C[C@H]1C ZINC000453375876 860683262 /nfs/dbraw/zinc/68/32/62/860683262.db2.gz PFYJHLYCUKLOLP-JHBZICRXSA-N 2 2 377.532 3.778 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000453375892 860683281 /nfs/dbraw/zinc/68/32/81/860683281.db2.gz PFYJHLYCUKLOLP-MYEKKWIISA-N 2 2 377.532 3.778 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000453375892 860683282 /nfs/dbraw/zinc/68/32/82/860683282.db2.gz PFYJHLYCUKLOLP-MYEKKWIISA-N 2 2 377.532 3.778 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000598967664 860695877 /nfs/dbraw/zinc/69/58/77/860695877.db2.gz MEEXDRIECYDUQG-MSOLQXFVSA-N 2 2 394.581 3.561 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000098033587 860701640 /nfs/dbraw/zinc/70/16/40/860701640.db2.gz FMTDRMAPMYRJQN-OAQYLSRUSA-N 2 2 389.503 3.509 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)Cc1ccccc1 ZINC000474775374 860777284 /nfs/dbraw/zinc/77/72/84/860777284.db2.gz MVJDETWDBCZEMU-PMACEKPBSA-N 2 2 396.579 3.707 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)Cc1ccccc1 ZINC000474775374 860777289 /nfs/dbraw/zinc/77/72/89/860777289.db2.gz MVJDETWDBCZEMU-PMACEKPBSA-N 2 2 396.579 3.707 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCC1)c1ccccc1 ZINC000603611235 860903556 /nfs/dbraw/zinc/90/35/56/860903556.db2.gz YWRINKXAWSALST-CTNGQTDRSA-N 2 2 395.551 3.893 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CCCN3Cc3ccccc3)CC2)cc1 ZINC000766013895 861138910 /nfs/dbraw/zinc/13/89/10/861138910.db2.gz ZKOVHVKYTJOBHU-VWLOTQADSA-N 2 2 392.591 3.976 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(NC(N)=O)cc1 ZINC000766191160 863305127 /nfs/dbraw/zinc/30/51/27/863305127.db2.gz KSDJTSRJFFBMRI-MRXNPFEDSA-N 2 2 381.524 3.563 20 0 GHADLP C[C@H](CCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[NH+]1CCCCC1 ZINC000182707408 863334895 /nfs/dbraw/zinc/33/48/95/863334895.db2.gz OWWKSYZUGPBCBC-COPCDDAFSA-N 2 2 395.551 3.675 20 0 GHADLP C[C@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000606448361 863621831 /nfs/dbraw/zinc/62/18/31/863621831.db2.gz FRTFZYINJAMBLI-SFHVURJKSA-N 2 2 395.522 3.657 20 0 GHADLP C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000606448361 863621839 /nfs/dbraw/zinc/62/18/39/863621839.db2.gz FRTFZYINJAMBLI-SFHVURJKSA-N 2 2 395.522 3.657 20 0 GHADLP Cc1cn2cc(NC(=O)N(C)C3CC[NH+](Cc4ccccc4)CC3)ccc2[nH+]1 ZINC000606570561 863711480 /nfs/dbraw/zinc/71/14/80/863711480.db2.gz FXVJTEQONUTISV-UHFFFAOYSA-N 2 2 377.492 3.771 20 0 GHADLP COc1ccccc1[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)[NH+]1CCCCC1 ZINC000606584448 863731575 /nfs/dbraw/zinc/73/15/75/863731575.db2.gz VJSNLYCUUAWKGS-IBGZPJMESA-N 2 2 393.491 3.692 20 0 GHADLP CN(C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C(c1ccccc1)c1ccccc1 ZINC000158522941 863859683 /nfs/dbraw/zinc/85/96/83/863859683.db2.gz UEWGZYQMGVTZMO-GOTSBHOMSA-N 2 2 391.559 3.651 20 0 GHADLP CN(C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C(c1ccccc1)c1ccccc1 ZINC000158522941 863859692 /nfs/dbraw/zinc/85/96/92/863859692.db2.gz UEWGZYQMGVTZMO-GOTSBHOMSA-N 2 2 391.559 3.651 20 0 GHADLP CN(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C(c1ccccc1)c1ccccc1 ZINC000158522941 863859708 /nfs/dbraw/zinc/85/97/08/863859708.db2.gz UEWGZYQMGVTZMO-GOTSBHOMSA-N 2 2 391.559 3.651 20 0 GHADLP CN(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C(c1ccccc1)c1ccccc1 ZINC000158522941 863859728 /nfs/dbraw/zinc/85/97/28/863859728.db2.gz UEWGZYQMGVTZMO-GOTSBHOMSA-N 2 2 391.559 3.651 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158796040 863955127 /nfs/dbraw/zinc/95/51/27/863955127.db2.gz FHSURSCTFSSJQP-OIBXWCBGSA-N 2 2 393.531 3.791 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158796040 863955145 /nfs/dbraw/zinc/95/51/45/863955145.db2.gz FHSURSCTFSSJQP-OIBXWCBGSA-N 2 2 393.531 3.791 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158796040 863955159 /nfs/dbraw/zinc/95/51/59/863955159.db2.gz FHSURSCTFSSJQP-OIBXWCBGSA-N 2 2 393.531 3.791 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158796040 863955178 /nfs/dbraw/zinc/95/51/78/863955178.db2.gz FHSURSCTFSSJQP-OIBXWCBGSA-N 2 2 393.531 3.791 20 0 GHADLP C[N@@H+]1CCC[C@H](c2cccc(C(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)c2)C1 ZINC000856775285 881735910 /nfs/dbraw/zinc/73/59/10/881735910.db2.gz JXEFYLBMUBZIFK-QFIPXVFZSA-N 2 2 393.531 3.580 20 0 GHADLP C[N@H+]1CCC[C@H](c2cccc(C(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)c2)C1 ZINC000856775285 881735924 /nfs/dbraw/zinc/73/59/24/881735924.db2.gz JXEFYLBMUBZIFK-QFIPXVFZSA-N 2 2 393.531 3.580 20 0 GHADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000554362586 864198984 /nfs/dbraw/zinc/19/89/84/864198984.db2.gz WFXLCOYIUJYKKO-GOSISDBHSA-N 2 2 385.581 3.670 20 0 GHADLP CCc1nc2c(s1)[C@@H]([NH2+]CCC[NH+]1CCN(c3ccccc3)CC1)CCC2 ZINC000480223620 864290205 /nfs/dbraw/zinc/29/02/05/864290205.db2.gz DJIUFRSWYIDMCY-IBGZPJMESA-N 2 2 384.593 3.885 20 0 GHADLP COc1cc(C[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)c(SC)cc1OC ZINC000667665115 864559021 /nfs/dbraw/zinc/55/90/21/864559021.db2.gz ZMIWFHZPGRKEMS-UHFFFAOYSA-N 2 2 384.505 3.638 20 0 GHADLP COc1cc(C[N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)c(SC)cc1OC ZINC000667665115 864559035 /nfs/dbraw/zinc/55/90/35/864559035.db2.gz ZMIWFHZPGRKEMS-UHFFFAOYSA-N 2 2 384.505 3.638 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)s1 ZINC000475200681 864565466 /nfs/dbraw/zinc/56/54/66/864565466.db2.gz DSUVRAIEDBQRSU-RDJZCZTQSA-N 2 2 384.611 3.674 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)[NH+](C)C)cc1 ZINC000622071961 864740415 /nfs/dbraw/zinc/74/04/15/864740415.db2.gz YZFOXTQUDYMGQL-OAQYLSRUSA-N 2 2 398.551 3.714 20 0 GHADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CO)o2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000608057040 864980371 /nfs/dbraw/zinc/98/03/71/864980371.db2.gz WXDNALOZXBEMIO-HNAYVOBHSA-N 2 2 382.426 3.963 20 0 GHADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CO)o2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000608057040 864980382 /nfs/dbraw/zinc/98/03/82/864980382.db2.gz WXDNALOZXBEMIO-HNAYVOBHSA-N 2 2 382.426 3.963 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Oc2ccc(F)cc2)cc1Cl ZINC000480690287 865094808 /nfs/dbraw/zinc/09/48/08/865094808.db2.gz QXGXOTAVBXNZFS-VBKZILBWSA-N 2 2 378.875 3.989 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Oc2ccc(F)cc2)cc1Cl ZINC000480690287 865094813 /nfs/dbraw/zinc/09/48/13/865094813.db2.gz QXGXOTAVBXNZFS-VBKZILBWSA-N 2 2 378.875 3.989 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Oc2ccc(F)cc2)cc1Cl ZINC000480690289 865094985 /nfs/dbraw/zinc/09/49/85/865094985.db2.gz QXGXOTAVBXNZFS-XOBRGWDASA-N 2 2 378.875 3.989 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Oc2ccc(F)cc2)cc1Cl ZINC000480690289 865094990 /nfs/dbraw/zinc/09/49/90/865094990.db2.gz QXGXOTAVBXNZFS-XOBRGWDASA-N 2 2 378.875 3.989 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CC[C@H]3CCCC[NH+]3C)n2)C1 ZINC000608267175 865130546 /nfs/dbraw/zinc/13/05/46/865130546.db2.gz BPFUMIOWPBAXDK-FUHWJXTLSA-N 2 2 393.601 3.713 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CC[C@H]3CCCC[NH+]3C)n2)C1 ZINC000608267175 865130557 /nfs/dbraw/zinc/13/05/57/865130557.db2.gz BPFUMIOWPBAXDK-FUHWJXTLSA-N 2 2 393.601 3.713 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)n2)C1 ZINC000608267175 865130567 /nfs/dbraw/zinc/13/05/67/865130567.db2.gz BPFUMIOWPBAXDK-FUHWJXTLSA-N 2 2 393.601 3.713 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N(C)CC[C@H]3CCCC[N@H+]3C)n2)C1 ZINC000608267175 865130575 /nfs/dbraw/zinc/13/05/75/865130575.db2.gz BPFUMIOWPBAXDK-FUHWJXTLSA-N 2 2 393.601 3.713 20 0 GHADLP CC(C)[C@H](CNc1cc[nH+]c2c(Br)cccc12)[NH+]1CCN(C)CC1 ZINC000301367515 865315017 /nfs/dbraw/zinc/31/50/17/865315017.db2.gz ODPJLPKSAZJXCN-SFHVURJKSA-N 2 2 391.357 3.681 20 0 GHADLP CCCN(Cc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074767597 881868711 /nfs/dbraw/zinc/86/87/11/881868711.db2.gz IXGCRKFCAQTZII-UHFFFAOYSA-N 2 2 386.584 3.559 20 0 GHADLP C[NH+](C)C1CC[NH+](CCNc2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000301512035 865398465 /nfs/dbraw/zinc/39/84/65/865398465.db2.gz DGNCAROGRKODRY-UHFFFAOYSA-N 2 2 375.520 3.735 20 0 GHADLP CC[NH+](CC)CC1CC[NH+](Cn2cc(C)n(-c3ccccc3Cl)c2=O)CC1 ZINC000738070208 865478222 /nfs/dbraw/zinc/47/82/22/865478222.db2.gz FCIYTBSFTYVJHJ-UHFFFAOYSA-N 2 2 390.959 3.612 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(Cl)ccc1O ZINC000185146919 865488675 /nfs/dbraw/zinc/48/86/75/865488675.db2.gz NPCBPUGGASBQJV-INIZCTEOSA-N 2 2 390.911 3.607 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(Cl)ccc1O ZINC000185146934 865489081 /nfs/dbraw/zinc/48/90/81/865489081.db2.gz NPCBPUGGASBQJV-MRXNPFEDSA-N 2 2 390.911 3.607 20 0 GHADLP C[C@@H]1CCC[C@@](CNC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)([NH+](C)C)C1 ZINC000608648312 865533034 /nfs/dbraw/zinc/53/30/34/865533034.db2.gz RRCFGEOJDZAZIY-QMHWCDLVSA-N 2 2 397.567 3.514 20 0 GHADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000172346177 865557982 /nfs/dbraw/zinc/55/79/82/865557982.db2.gz YCXSNQDUZAKOLC-UHFFFAOYSA-N 2 2 388.515 3.946 20 0 GHADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000172346177 865557987 /nfs/dbraw/zinc/55/79/87/865557987.db2.gz YCXSNQDUZAKOLC-UHFFFAOYSA-N 2 2 388.515 3.946 20 0 GHADLP C[NH+](C)CCN(CC1CCCCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000738991580 865684736 /nfs/dbraw/zinc/68/47/36/865684736.db2.gz QJLJAACGBPWJMY-UHFFFAOYSA-N 2 2 383.540 3.526 20 0 GHADLP C[C@H](c1nc2ccccc2o1)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000481070738 865780110 /nfs/dbraw/zinc/78/01/10/865780110.db2.gz HIRVVNHBMUPCST-GOSISDBHSA-N 2 2 394.519 3.651 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000481166682 865909863 /nfs/dbraw/zinc/90/98/63/865909863.db2.gz BOUGZEJKFGXOHS-UYAOXDASSA-N 2 2 395.572 3.626 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000481166682 865909872 /nfs/dbraw/zinc/90/98/72/865909872.db2.gz BOUGZEJKFGXOHS-UYAOXDASSA-N 2 2 395.572 3.626 20 0 GHADLP CN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000665717575 865929089 /nfs/dbraw/zinc/92/90/89/865929089.db2.gz ILDCKSGSDFVUQJ-WWNPGLIZSA-N 2 2 398.595 3.523 20 0 GHADLP CN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000665717575 865929094 /nfs/dbraw/zinc/92/90/94/865929094.db2.gz ILDCKSGSDFVUQJ-WWNPGLIZSA-N 2 2 398.595 3.523 20 0 GHADLP CC[NH+](CC)CCC[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000514118732 865931931 /nfs/dbraw/zinc/93/19/31/865931931.db2.gz MSAXTIDPRHHMLZ-UHFFFAOYSA-N 3 2 375.605 3.931 20 0 GHADLP CC[NH+](CC)CCC[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000514118732 865931944 /nfs/dbraw/zinc/93/19/44/865931944.db2.gz MSAXTIDPRHHMLZ-UHFFFAOYSA-N 3 2 375.605 3.931 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481182638 865945104 /nfs/dbraw/zinc/94/51/04/865945104.db2.gz YULUXMOKGAMTSU-ZFGGDYGUSA-N 2 2 393.575 3.842 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481182638 865945118 /nfs/dbraw/zinc/94/51/18/865945118.db2.gz YULUXMOKGAMTSU-ZFGGDYGUSA-N 2 2 393.575 3.842 20 0 GHADLP C[C@@H](CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000481181755 865945422 /nfs/dbraw/zinc/94/54/22/865945422.db2.gz NONGXBACRCZLQV-SEDAZVQISA-N 2 2 393.575 3.795 20 0 GHADLP C[C@@H](CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000481181755 865945434 /nfs/dbraw/zinc/94/54/34/865945434.db2.gz NONGXBACRCZLQV-SEDAZVQISA-N 2 2 393.575 3.795 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)[C@H](C)C1 ZINC000185461424 866125401 /nfs/dbraw/zinc/12/54/01/866125401.db2.gz APBSXEURLPPBTC-VKJFTORMSA-N 2 2 399.373 3.942 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)[C@H](C)C1 ZINC000185461424 866125410 /nfs/dbraw/zinc/12/54/10/866125410.db2.gz APBSXEURLPPBTC-VKJFTORMSA-N 2 2 399.373 3.942 20 0 GHADLP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534128455 866178901 /nfs/dbraw/zinc/17/89/01/866178901.db2.gz JDIIUXXAKPISKP-MSOLQXFVSA-N 2 2 380.536 3.786 20 0 GHADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)ccc21 ZINC000456289827 866349707 /nfs/dbraw/zinc/34/97/07/866349707.db2.gz XZEGIVAWGUFHAG-YADHBBJMSA-N 2 2 395.572 3.964 20 0 GHADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)ccc21 ZINC000456289820 866349805 /nfs/dbraw/zinc/34/98/05/866349805.db2.gz XZEGIVAWGUFHAG-FGZHOGPDSA-N 2 2 395.572 3.964 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1 ZINC000552870889 866361250 /nfs/dbraw/zinc/36/12/50/866361250.db2.gz UBUNTTFVDYYLCD-IRLDBZIGSA-N 2 2 377.488 3.530 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000456317576 866420699 /nfs/dbraw/zinc/42/06/99/866420699.db2.gz AVWYPYZDGZXHPK-HXUWFJFHSA-N 2 2 388.515 3.775 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@H+](Cc3ccccc3)C[C@H](C)C1)C2 ZINC000456351383 866472629 /nfs/dbraw/zinc/47/26/29/866472629.db2.gz WUUZXIHNDWYFIK-AZUAARDMSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@@H+](Cc3ccccc3)C[C@H](C)C1)C2 ZINC000456351383 866472632 /nfs/dbraw/zinc/47/26/32/866472632.db2.gz WUUZXIHNDWYFIK-AZUAARDMSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@H+](Cc3ccccc3)C[C@H](C)C1)CC2 ZINC000456351383 866472638 /nfs/dbraw/zinc/47/26/38/866472638.db2.gz WUUZXIHNDWYFIK-AZUAARDMSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@@H+](Cc3ccccc3)C[C@H](C)C1)CC2 ZINC000456351383 866472640 /nfs/dbraw/zinc/47/26/40/866472640.db2.gz WUUZXIHNDWYFIK-AZUAARDMSA-N 2 2 394.563 3.619 20 0 GHADLP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000534315535 866547790 /nfs/dbraw/zinc/54/77/90/866547790.db2.gz UNQVPNQZGBJGQW-CPUCHLNUSA-N 2 2 380.414 3.812 20 0 GHADLP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000534315535 866547801 /nfs/dbraw/zinc/54/78/01/866547801.db2.gz UNQVPNQZGBJGQW-CPUCHLNUSA-N 2 2 380.414 3.812 20 0 GHADLP CC1CCC(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000534357964 866596228 /nfs/dbraw/zinc/59/62/28/866596228.db2.gz DJNRCGGHRWUENW-SLMMIHQXSA-N 2 2 377.617 3.998 20 0 GHADLP CC1CCC(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000534357964 866596238 /nfs/dbraw/zinc/59/62/38/866596238.db2.gz DJNRCGGHRWUENW-SLMMIHQXSA-N 2 2 377.617 3.998 20 0 GHADLP Cc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000534361201 866645325 /nfs/dbraw/zinc/64/53/25/866645325.db2.gz VTHWTULNACYXFQ-XZOQPEGZSA-N 2 2 385.596 3.642 20 0 GHADLP Cc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000534361201 866645334 /nfs/dbraw/zinc/64/53/34/866645334.db2.gz VTHWTULNACYXFQ-XZOQPEGZSA-N 2 2 385.596 3.642 20 0 GHADLP CC(C)CCSCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359527 866645940 /nfs/dbraw/zinc/64/59/40/866645940.db2.gz KBXCAIUWMIKDAE-PMACEKPBSA-N 2 2 383.646 3.561 20 0 GHADLP CC(C)CCSCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359527 866645945 /nfs/dbraw/zinc/64/59/45/866645945.db2.gz KBXCAIUWMIKDAE-PMACEKPBSA-N 2 2 383.646 3.561 20 0 GHADLP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1Br ZINC000111243471 866668356 /nfs/dbraw/zinc/66/83/56/866668356.db2.gz JLTUFYRPXSOUJB-CQSZACIVSA-N 2 2 391.313 3.618 20 0 GHADLP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1ccn(-c3ccccc3)n1)c1ccccc1O2 ZINC000553093186 866784887 /nfs/dbraw/zinc/78/48/87/866784887.db2.gz BQMOWLJWFRUAKB-JOCHJYFZSA-N 2 2 388.515 3.950 20 0 GHADLP C[NH+]1CCC(CNC(=S)Nc2ccccc2Cl)([NH+]2CCCCC2)CC1 ZINC000741874801 866871226 /nfs/dbraw/zinc/87/12/26/866871226.db2.gz QRQYZZRTEAISJN-UHFFFAOYSA-N 2 2 380.989 3.577 20 0 GHADLP CC[C@@H](C)[C@@H]1CN(CCC[NH+]2CCCCC2)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444609298 866945233 /nfs/dbraw/zinc/94/52/33/866945233.db2.gz MMQRXQUPTGHYEM-RPWUZVMVSA-N 3 2 392.676 3.771 20 0 GHADLP CC[C@@H](C)[C@@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444609298 866945236 /nfs/dbraw/zinc/94/52/36/866945236.db2.gz MMQRXQUPTGHYEM-RPWUZVMVSA-N 3 2 392.676 3.771 20 0 GHADLP CC[C@@H](C)[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)CCN1CCC[NH+]1CCCCC1 ZINC000444609298 866945242 /nfs/dbraw/zinc/94/52/42/866945242.db2.gz MMQRXQUPTGHYEM-RPWUZVMVSA-N 3 2 392.676 3.771 20 0 GHADLP CC[C@@H](C)[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CCN1CCC[NH+]1CCCCC1 ZINC000444609298 866945254 /nfs/dbraw/zinc/94/52/54/866945254.db2.gz MMQRXQUPTGHYEM-RPWUZVMVSA-N 3 2 392.676 3.771 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000444803266 867232690 /nfs/dbraw/zinc/23/26/90/867232690.db2.gz PDNUODNLJHDAOZ-QFIPXVFZSA-N 2 2 379.504 3.831 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000444803266 867232710 /nfs/dbraw/zinc/23/27/10/867232710.db2.gz PDNUODNLJHDAOZ-QFIPXVFZSA-N 2 2 379.504 3.831 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000154262211 867326108 /nfs/dbraw/zinc/32/61/08/867326108.db2.gz JNBCYSNVHDBWCX-UHFFFAOYSA-N 2 2 395.551 3.670 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000553465535 867498267 /nfs/dbraw/zinc/49/82/67/867498267.db2.gz FCFRWQRFTZLWMA-YADHBBJMSA-N 2 2 388.515 3.713 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000553465535 867498281 /nfs/dbraw/zinc/49/82/81/867498281.db2.gz FCFRWQRFTZLWMA-YADHBBJMSA-N 2 2 388.515 3.713 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(F)ccc1F ZINC000155154313 867775014 /nfs/dbraw/zinc/77/50/14/867775014.db2.gz SUCAEZSFTXRDFM-MRXNPFEDSA-N 2 2 376.447 3.527 20 0 GHADLP c1ccc2c(c1)CCSC[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155178997 867788919 /nfs/dbraw/zinc/78/89/19/867788919.db2.gz CBNLCHAYUBDTQO-HSZRJFAPSA-N 2 2 398.572 3.518 20 0 GHADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000508623406 882153138 /nfs/dbraw/zinc/15/31/38/882153138.db2.gz AMBYNEUYZINPQI-OPYAIIAOSA-N 2 2 375.557 3.601 20 0 GHADLP Cc1nn(C)c2ncc(C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc12 ZINC000157051156 868539184 /nfs/dbraw/zinc/53/91/84/868539184.db2.gz DBAVXFVBAWJHEA-DYESRHJHSA-N 2 2 377.536 3.762 20 0 GHADLP Cc1nn(C)c2ncc(C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc12 ZINC000157051156 868539190 /nfs/dbraw/zinc/53/91/90/868539190.db2.gz DBAVXFVBAWJHEA-DYESRHJHSA-N 2 2 377.536 3.762 20 0 GHADLP Cc1nn(C)c2ncc(C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cc12 ZINC000157051156 868539193 /nfs/dbraw/zinc/53/91/93/868539193.db2.gz DBAVXFVBAWJHEA-DYESRHJHSA-N 2 2 377.536 3.762 20 0 GHADLP Cc1nn(C)c2ncc(C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cc12 ZINC000157051156 868539198 /nfs/dbraw/zinc/53/91/98/868539198.db2.gz DBAVXFVBAWJHEA-DYESRHJHSA-N 2 2 377.536 3.762 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)C1 ZINC000524368536 868993912 /nfs/dbraw/zinc/99/39/12/868993912.db2.gz RCKQILPSINXRDC-GHTZIAJQSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)C1 ZINC000524368536 868993917 /nfs/dbraw/zinc/99/39/17/868993917.db2.gz RCKQILPSINXRDC-GHTZIAJQSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535576193 869029147 /nfs/dbraw/zinc/02/91/47/869029147.db2.gz QHTDDUXPSVVUGL-ZWKOTPCHSA-N 2 2 378.520 3.714 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000445822814 869034267 /nfs/dbraw/zinc/03/42/67/869034267.db2.gz XCHJTUBWIJQTDM-AWEZNQCLSA-N 2 2 396.304 3.655 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000445822814 869034277 /nfs/dbraw/zinc/03/42/77/869034277.db2.gz XCHJTUBWIJQTDM-AWEZNQCLSA-N 2 2 396.304 3.655 20 0 GHADLP C[N@H+](Cc1cccc(-c2ccccn2)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428420809 869062264 /nfs/dbraw/zinc/06/22/64/869062264.db2.gz JBACXBBHXWJBGH-VWLOTQADSA-N 2 2 387.527 3.817 20 0 GHADLP C[N@@H+](Cc1cccc(-c2ccccn2)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428420809 869062275 /nfs/dbraw/zinc/06/22/75/869062275.db2.gz JBACXBBHXWJBGH-VWLOTQADSA-N 2 2 387.527 3.817 20 0 GHADLP C[NH+](Cc1cccc(-c2ccccn2)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428420809 869062283 /nfs/dbraw/zinc/06/22/83/869062283.db2.gz JBACXBBHXWJBGH-VWLOTQADSA-N 2 2 387.527 3.817 20 0 GHADLP C[NH+](Cc1cccc(-c2ccccn2)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428420809 869062289 /nfs/dbraw/zinc/06/22/89/869062289.db2.gz JBACXBBHXWJBGH-VWLOTQADSA-N 2 2 387.527 3.817 20 0 GHADLP C[N@H+](Cc1cccc(-c2ccncc2)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428436443 869527219 /nfs/dbraw/zinc/52/72/19/869527219.db2.gz QGMLPOOYVHYTJB-VWLOTQADSA-N 2 2 387.527 3.817 20 0 GHADLP C[N@@H+](Cc1cccc(-c2ccncc2)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428436443 869527229 /nfs/dbraw/zinc/52/72/29/869527229.db2.gz QGMLPOOYVHYTJB-VWLOTQADSA-N 2 2 387.527 3.817 20 0 GHADLP C[NH+](Cc1cccc(-c2ccncc2)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428436443 869527239 /nfs/dbraw/zinc/52/72/39/869527239.db2.gz QGMLPOOYVHYTJB-VWLOTQADSA-N 2 2 387.527 3.817 20 0 GHADLP C[NH+](Cc1cccc(-c2ccncc2)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428436443 869527252 /nfs/dbraw/zinc/52/72/52/869527252.db2.gz QGMLPOOYVHYTJB-VWLOTQADSA-N 2 2 387.527 3.817 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2OCc2ccccn2)C[C@H]1C ZINC000539837012 869879905 /nfs/dbraw/zinc/87/99/05/869879905.db2.gz UDQJQVXAJDFKDH-WIYYLYMNSA-N 2 2 383.536 3.974 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2OCc2ccccn2)C[C@H]1C ZINC000539837012 869879918 /nfs/dbraw/zinc/87/99/18/869879918.db2.gz UDQJQVXAJDFKDH-WIYYLYMNSA-N 2 2 383.536 3.974 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)ccc2OCc2ccccn2)C[C@H]1C ZINC000539837012 869879931 /nfs/dbraw/zinc/87/99/31/869879931.db2.gz UDQJQVXAJDFKDH-WIYYLYMNSA-N 2 2 383.536 3.974 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)ccc2OCc2ccccn2)C[C@H]1C ZINC000539837012 869879945 /nfs/dbraw/zinc/87/99/45/869879945.db2.gz UDQJQVXAJDFKDH-WIYYLYMNSA-N 2 2 383.536 3.974 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000745984527 869927560 /nfs/dbraw/zinc/92/75/60/869927560.db2.gz NQQBNXSPSZUIKT-QGZVFWFLSA-N 2 2 381.524 3.607 20 0 GHADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000462824780 870165301 /nfs/dbraw/zinc/16/53/01/870165301.db2.gz YYPQJMOZFLYHMY-GCJKJVERSA-N 2 2 398.595 3.756 20 0 GHADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000462824780 870165305 /nfs/dbraw/zinc/16/53/05/870165305.db2.gz YYPQJMOZFLYHMY-GCJKJVERSA-N 2 2 398.595 3.756 20 0 GHADLP CCOc1cc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1OC ZINC000248156813 870302591 /nfs/dbraw/zinc/30/25/91/870302591.db2.gz RMCBDXJETUCHCJ-DENIHFKCSA-N 2 2 397.563 3.922 20 0 GHADLP CCOc1cc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1OC ZINC000248156813 870302607 /nfs/dbraw/zinc/30/26/07/870302607.db2.gz RMCBDXJETUCHCJ-DENIHFKCSA-N 2 2 397.563 3.922 20 0 GHADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000775546858 870650915 /nfs/dbraw/zinc/65/09/15/870650915.db2.gz GISYUIVPETVIBF-QAPCUYQASA-N 2 2 382.426 3.729 20 0 GHADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000775546858 870650923 /nfs/dbraw/zinc/65/09/23/870650923.db2.gz GISYUIVPETVIBF-QAPCUYQASA-N 2 2 382.426 3.729 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000617764410 870843281 /nfs/dbraw/zinc/84/32/81/870843281.db2.gz WABCXTVBUGGXJW-UHFFFAOYSA-N 2 2 397.350 3.602 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000617764410 870843298 /nfs/dbraw/zinc/84/32/98/870843298.db2.gz WABCXTVBUGGXJW-UHFFFAOYSA-N 2 2 397.350 3.602 20 0 GHADLP C[N@H+](Cc1cncc(C(F)(F)F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000463100716 870925354 /nfs/dbraw/zinc/92/53/54/870925354.db2.gz XTLUOGIPOCFIDZ-UHFFFAOYSA-N 2 2 378.442 3.634 20 0 GHADLP C[N@@H+](Cc1cncc(C(F)(F)F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000463100716 870925364 /nfs/dbraw/zinc/92/53/64/870925364.db2.gz XTLUOGIPOCFIDZ-UHFFFAOYSA-N 2 2 378.442 3.634 20 0 GHADLP CN(c1ccccc1C[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1)C1CC[NH+](C)CC1 ZINC000447078857 870956209 /nfs/dbraw/zinc/95/62/09/870956209.db2.gz VPXREBMRDJGQNF-UHFFFAOYSA-N 2 2 383.584 3.870 20 0 GHADLP CN(c1ccccc1C[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1)C1CC[NH+](C)CC1 ZINC000447078857 870956226 /nfs/dbraw/zinc/95/62/26/870956226.db2.gz VPXREBMRDJGQNF-UHFFFAOYSA-N 2 2 383.584 3.870 20 0 GHADLP Cc1ccc([C@H]2CCCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000525634452 871117392 /nfs/dbraw/zinc/11/73/92/871117392.db2.gz VRQVDYVWPVRUPJ-JOCHJYFZSA-N 2 2 392.547 3.656 20 0 GHADLP Cc1ccc([C@H]2CCCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000525634452 871117403 /nfs/dbraw/zinc/11/74/03/871117403.db2.gz VRQVDYVWPVRUPJ-JOCHJYFZSA-N 2 2 392.547 3.656 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000463200599 871169449 /nfs/dbraw/zinc/16/94/49/871169449.db2.gz BZHPWZHVLDUNAS-OLKYXYMISA-N 2 2 386.580 3.683 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000463200599 871169464 /nfs/dbraw/zinc/16/94/64/871169464.db2.gz BZHPWZHVLDUNAS-OLKYXYMISA-N 2 2 386.580 3.683 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000463200599 871169476 /nfs/dbraw/zinc/16/94/76/871169476.db2.gz BZHPWZHVLDUNAS-OLKYXYMISA-N 2 2 386.580 3.683 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000463200599 871169489 /nfs/dbraw/zinc/16/94/89/871169489.db2.gz BZHPWZHVLDUNAS-OLKYXYMISA-N 2 2 386.580 3.683 20 0 GHADLP O[C@@H]1CCCC[C@H]1[C@H]1CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000463201656 871174021 /nfs/dbraw/zinc/17/40/21/871174021.db2.gz WLTKJUYWWYTYCW-RBZQAINGSA-N 2 2 385.596 3.604 20 0 GHADLP O[C@@H]1CCCC[C@H]1[C@H]1CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000463201656 871174033 /nfs/dbraw/zinc/17/40/33/871174033.db2.gz WLTKJUYWWYTYCW-RBZQAINGSA-N 2 2 385.596 3.604 20 0 GHADLP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+]([C@H]2C[C@H]4CC[C@@H](C2)[N@H+]4C)CC3)c1 ZINC001169135539 871225793 /nfs/dbraw/zinc/22/57/93/871225793.db2.gz ZEQZWYODJKFAQR-JKHIJQBDSA-N 3 2 397.607 3.998 20 0 GHADLP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+]([C@H]2C[C@H]4CC[C@@H](C2)[N@@H+]4C)CC3)c1 ZINC001169135539 871225812 /nfs/dbraw/zinc/22/58/12/871225812.db2.gz ZEQZWYODJKFAQR-JKHIJQBDSA-N 3 2 397.607 3.998 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC1)C2 ZINC001169142779 871250998 /nfs/dbraw/zinc/25/09/98/871250998.db2.gz VRSOCKDEMDKEJH-WDNDVIMCSA-N 2 2 388.865 3.501 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC1)C2 ZINC001169142779 871251014 /nfs/dbraw/zinc/25/10/14/871251014.db2.gz VRSOCKDEMDKEJH-WDNDVIMCSA-N 2 2 388.865 3.501 20 0 GHADLP C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169162127 871274353 /nfs/dbraw/zinc/27/43/53/871274353.db2.gz SHWTWJMGOGCMJY-GEALJGNFSA-N 2 2 392.385 3.753 20 0 GHADLP C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169162127 871274366 /nfs/dbraw/zinc/27/43/66/871274366.db2.gz SHWTWJMGOGCMJY-GEALJGNFSA-N 2 2 392.385 3.753 20 0 GHADLP CC[NH+]1CCC([NH2+][C@@H](CC(=O)OC)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001169231316 871319929 /nfs/dbraw/zinc/31/99/29/871319929.db2.gz XHHXMRWRSAOMQT-QHCPKHFHSA-N 2 2 396.531 3.944 20 0 GHADLP CC[NH+]1CCC([NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)CC1 ZINC001169263497 871328426 /nfs/dbraw/zinc/32/84/26/871328426.db2.gz AJLOTAUYRZBKEC-UHFFFAOYSA-N 2 2 379.548 3.872 20 0 GHADLP CC[NH+]1CCC([NH2+][C@@H](CCSC)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC001169241071 871340008 /nfs/dbraw/zinc/34/00/08/871340008.db2.gz GDCXSIICMQFAKY-NRFANRHFSA-N 2 2 385.577 3.974 20 0 GHADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000462002791 871428700 /nfs/dbraw/zinc/42/87/00/871428700.db2.gz NDFDSRHKWBWQML-JRGCBEDISA-N 2 2 383.540 3.531 20 0 GHADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000462002791 871428714 /nfs/dbraw/zinc/42/87/14/871428714.db2.gz NDFDSRHKWBWQML-JRGCBEDISA-N 2 2 383.540 3.531 20 0 GHADLP C[C@H](c1ccc(F)cc1F)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000539148479 871431088 /nfs/dbraw/zinc/43/10/88/871431088.db2.gz OLWRBUXEKFWQMJ-BRWVUGGUSA-N 2 2 382.495 3.616 20 0 GHADLP CC[C@H](C[N@H+](CC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC001169482322 871531938 /nfs/dbraw/zinc/53/19/38/871531938.db2.gz IYYCRZSSNLUBKS-OAQYLSRUSA-N 2 2 394.563 3.636 20 0 GHADLP CC[C@H](C[N@@H+](CC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC001169482322 871531951 /nfs/dbraw/zinc/53/19/51/871531951.db2.gz IYYCRZSSNLUBKS-OAQYLSRUSA-N 2 2 394.563 3.636 20 0 GHADLP COC(=[NH2+])c1cccc(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1 ZINC001169516087 871583586 /nfs/dbraw/zinc/58/35/86/871583586.db2.gz BUEVHJZLUNTEMM-AZUAARDMSA-N 2 2 381.476 3.529 20 0 GHADLP COC(=[NH2+])c1cccc(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1 ZINC001169516090 871585564 /nfs/dbraw/zinc/58/55/64/871585564.db2.gz BUEVHJZLUNTEMM-UYAOXDASSA-N 2 2 381.476 3.529 20 0 GHADLP Cc1[nH]c2ccc(N[C@@H]3C[C@@H](C(=O)OCc4ccccc4)CCC[NH2+]3)cc2[nH+]1 ZINC001169519168 871591535 /nfs/dbraw/zinc/59/15/35/871591535.db2.gz NITVCNQKCUPFSA-LAUBAEHRSA-N 2 2 378.476 3.742 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000462108867 871628485 /nfs/dbraw/zinc/62/84/85/871628485.db2.gz BWJPNPHOTUOLMF-JOCHJYFZSA-N 2 2 396.510 3.617 20 0 GHADLP COc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c(Br)c1 ZINC000540598231 871664463 /nfs/dbraw/zinc/66/44/63/871664463.db2.gz BVMXZZPIHOICFC-ZDUSSCGKSA-N 2 2 378.314 3.884 20 0 GHADLP CN(C)C(=O)O[C@@H]1CC[N@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001194541600 871780959 /nfs/dbraw/zinc/78/09/59/871780959.db2.gz JLVXSJMNPNEYDI-DHIUTWEWSA-N 2 2 395.547 3.675 20 0 GHADLP CN(C)C(=O)O[C@@H]1CC[N@@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001194541600 871780966 /nfs/dbraw/zinc/78/09/66/871780966.db2.gz JLVXSJMNPNEYDI-DHIUTWEWSA-N 2 2 395.547 3.675 20 0 GHADLP CN(C)C(=O)O[C@@H]1CC[NH+](C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001194541600 871780972 /nfs/dbraw/zinc/78/09/72/871780972.db2.gz JLVXSJMNPNEYDI-DHIUTWEWSA-N 2 2 395.547 3.675 20 0 GHADLP CN(C)C(=O)O[C@@H]1CC[NH+](C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001194541600 871780977 /nfs/dbraw/zinc/78/09/77/871780977.db2.gz JLVXSJMNPNEYDI-DHIUTWEWSA-N 2 2 395.547 3.675 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)C(C)C ZINC000462206616 871809178 /nfs/dbraw/zinc/80/91/78/871809178.db2.gz CGMFFQZOXZOJFF-GOSISDBHSA-N 2 2 380.602 3.645 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC2CC([NH+]3CCCCC3)C2)c(C)c1 ZINC000525984945 871863341 /nfs/dbraw/zinc/86/33/41/871863341.db2.gz DTKNYXKAEYHVHE-QETWGEEDSA-N 2 2 395.551 3.557 20 0 GHADLP CCN(C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000526013006 871900547 /nfs/dbraw/zinc/90/05/47/871900547.db2.gz RFDQOYULUXMNDS-UXHICEINSA-N 2 2 394.563 3.761 20 0 GHADLP CCN(C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000526013006 871900559 /nfs/dbraw/zinc/90/05/59/871900559.db2.gz RFDQOYULUXMNDS-UXHICEINSA-N 2 2 394.563 3.761 20 0 GHADLP CCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000526013006 871900578 /nfs/dbraw/zinc/90/05/78/871900578.db2.gz RFDQOYULUXMNDS-UXHICEINSA-N 2 2 394.563 3.761 20 0 GHADLP CCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000526013006 871900591 /nfs/dbraw/zinc/90/05/91/871900591.db2.gz RFDQOYULUXMNDS-UXHICEINSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C1)C2 ZINC000526004586 871930637 /nfs/dbraw/zinc/93/06/37/871930637.db2.gz LPNXFQHETJDFSV-IPMKNSEASA-N 2 2 386.584 3.751 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C1)C2 ZINC000526004586 871930646 /nfs/dbraw/zinc/93/06/46/871930646.db2.gz LPNXFQHETJDFSV-IPMKNSEASA-N 2 2 386.584 3.751 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C1)CC2 ZINC000526004586 871930653 /nfs/dbraw/zinc/93/06/53/871930653.db2.gz LPNXFQHETJDFSV-IPMKNSEASA-N 2 2 386.584 3.751 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C1)CC2 ZINC000526004586 871930664 /nfs/dbraw/zinc/93/06/64/871930664.db2.gz LPNXFQHETJDFSV-IPMKNSEASA-N 2 2 386.584 3.751 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1OC(F)F ZINC000540757027 872072017 /nfs/dbraw/zinc/07/20/17/872072017.db2.gz VQLBPVDQOAQTMX-GOEBONIOSA-N 2 2 376.451 3.996 20 0 GHADLP Cc1ccc(COc2ccc(C[NH+]3CCC([N@H+](C)CCCO)CC3)cc2)cc1 ZINC000093412961 872162839 /nfs/dbraw/zinc/16/28/39/872162839.db2.gz OYMOOWJEEPBPQT-UHFFFAOYSA-N 2 2 382.548 3.853 20 0 GHADLP Cc1ccc(COc2ccc(C[NH+]3CCC([N@@H+](C)CCCO)CC3)cc2)cc1 ZINC000093412961 872162842 /nfs/dbraw/zinc/16/28/42/872162842.db2.gz OYMOOWJEEPBPQT-UHFFFAOYSA-N 2 2 382.548 3.853 20 0 GHADLP COc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(OCc2cccnc2)c1 ZINC000447728409 872170506 /nfs/dbraw/zinc/17/05/06/872170506.db2.gz LKOHEDQZNGVVPA-NRFANRHFSA-N 2 2 383.536 3.975 20 0 GHADLP COc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(OCc2cccnc2)c1 ZINC000447728409 872170514 /nfs/dbraw/zinc/17/05/14/872170514.db2.gz LKOHEDQZNGVVPA-NRFANRHFSA-N 2 2 383.536 3.975 20 0 GHADLP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(OCc2cccnc2)c1 ZINC000447728409 872170524 /nfs/dbraw/zinc/17/05/24/872170524.db2.gz LKOHEDQZNGVVPA-NRFANRHFSA-N 2 2 383.536 3.975 20 0 GHADLP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(OCc2cccnc2)c1 ZINC000447728409 872170537 /nfs/dbraw/zinc/17/05/37/872170537.db2.gz LKOHEDQZNGVVPA-NRFANRHFSA-N 2 2 383.536 3.975 20 0 GHADLP O=C(c1ccc2c[nH+]cn2c1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000552238696 872288991 /nfs/dbraw/zinc/28/89/91/872288991.db2.gz WQHSJZGCOKFVRC-UHFFFAOYSA-N 2 2 379.851 3.527 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093643815 872315679 /nfs/dbraw/zinc/31/56/79/872315679.db2.gz GSOKPALUXTYDIT-AUUYWEPGSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093643815 872315694 /nfs/dbraw/zinc/31/56/94/872315694.db2.gz GSOKPALUXTYDIT-AUUYWEPGSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643815 872315709 /nfs/dbraw/zinc/31/57/09/872315709.db2.gz GSOKPALUXTYDIT-AUUYWEPGSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643815 872315721 /nfs/dbraw/zinc/31/57/21/872315721.db2.gz GSOKPALUXTYDIT-AUUYWEPGSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1cccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1OC(F)F ZINC000540859412 872331248 /nfs/dbraw/zinc/33/12/48/872331248.db2.gz KPLUJJYCGJVYFR-UHFFFAOYSA-N 2 2 390.478 3.556 20 0 GHADLP c1ccc(C(OCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c2ccccc2)cc1 ZINC000670985354 872362595 /nfs/dbraw/zinc/36/25/95/872362595.db2.gz RAUFOPUOOHDFOZ-XMMPIXPASA-N 2 2 394.559 3.979 20 0 GHADLP c1ccc(C(OCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c2ccccc2)cc1 ZINC000670985354 872362605 /nfs/dbraw/zinc/36/26/05/872362605.db2.gz RAUFOPUOOHDFOZ-XMMPIXPASA-N 2 2 394.559 3.979 20 0 GHADLP C[C@@H](CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C[NH+]1CCCC1 ZINC000463706875 872405635 /nfs/dbraw/zinc/40/56/35/872405635.db2.gz TZFNHACJWZOHQY-KRWDZBQOSA-N 2 2 381.524 3.740 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H]3[NH+](C)CCCC3(C)C)n2)C1 ZINC000447893438 872491089 /nfs/dbraw/zinc/49/10/89/872491089.db2.gz MPRSPNAVBFHLMP-RDJZCZTQSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H]3[NH+](C)CCCC3(C)C)n2)C1 ZINC000447893438 872491096 /nfs/dbraw/zinc/49/10/96/872491096.db2.gz MPRSPNAVBFHLMP-RDJZCZTQSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)n2)C1 ZINC000447893438 872491104 /nfs/dbraw/zinc/49/11/04/872491104.db2.gz MPRSPNAVBFHLMP-RDJZCZTQSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)n2)C1 ZINC000447893438 872491111 /nfs/dbraw/zinc/49/11/11/872491111.db2.gz MPRSPNAVBFHLMP-RDJZCZTQSA-N 2 2 393.601 3.617 20 0 GHADLP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1F ZINC000552336610 872492879 /nfs/dbraw/zinc/49/28/79/872492879.db2.gz GORIEXHURDSMQO-KVSYXXJQSA-N 2 2 395.950 3.849 20 0 GHADLP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1F ZINC000552336610 872492886 /nfs/dbraw/zinc/49/28/86/872492886.db2.gz GORIEXHURDSMQO-KVSYXXJQSA-N 2 2 395.950 3.849 20 0 GHADLP CCSc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000552341141 872497747 /nfs/dbraw/zinc/49/77/47/872497747.db2.gz GLVPGBMZUPXFGL-BPIHKTFHSA-N 2 2 375.582 3.533 20 0 GHADLP CCSc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000552341141 872497750 /nfs/dbraw/zinc/49/77/50/872497750.db2.gz GLVPGBMZUPXFGL-BPIHKTFHSA-N 2 2 375.582 3.533 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nc3ccccc3[nH]2)CC1 ZINC000552423556 872658414 /nfs/dbraw/zinc/65/84/14/872658414.db2.gz KZFDTDKIUJDPDX-INIZCTEOSA-N 2 2 381.499 3.695 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448023014 872678905 /nfs/dbraw/zinc/67/89/05/872678905.db2.gz REBLIZPPKOTPQX-KSSFIOAISA-N 2 2 381.948 3.776 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448023014 872678912 /nfs/dbraw/zinc/67/89/12/872678912.db2.gz REBLIZPPKOTPQX-KSSFIOAISA-N 2 2 381.948 3.776 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)OC)[nH]1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000540998559 872713918 /nfs/dbraw/zinc/71/39/18/872713918.db2.gz YLQWSKSSPQWCRQ-UHFFFAOYSA-N 2 2 399.539 3.514 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)OC)[nH]1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000540998559 872713935 /nfs/dbraw/zinc/71/39/35/872713935.db2.gz YLQWSKSSPQWCRQ-UHFFFAOYSA-N 2 2 399.539 3.514 20 0 GHADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cc2ccccc2s1 ZINC000527194280 872765707 /nfs/dbraw/zinc/76/57/07/872765707.db2.gz NYOWWZNWWJMWSG-INIZCTEOSA-N 2 2 399.585 3.958 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC000527263051 872906116 /nfs/dbraw/zinc/90/61/16/872906116.db2.gz BYLIOZHVRDATLD-VQTJNVASSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000527263051 872906136 /nfs/dbraw/zinc/90/61/36/872906136.db2.gz BYLIOZHVRDATLD-VQTJNVASSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000527263051 872906150 /nfs/dbraw/zinc/90/61/50/872906150.db2.gz BYLIOZHVRDATLD-VQTJNVASSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000527263051 872906166 /nfs/dbraw/zinc/90/61/66/872906166.db2.gz BYLIOZHVRDATLD-VQTJNVASSA-N 2 2 394.563 3.761 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768203618 873139219 /nfs/dbraw/zinc/13/92/19/873139219.db2.gz VTDOYVJYKNBKJZ-QGZVFWFLSA-N 2 2 384.524 3.998 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2cc(F)cc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000153123851 873216536 /nfs/dbraw/zinc/21/65/36/873216536.db2.gz DSVWVFMQQZYTOP-UHFFFAOYSA-N 2 2 382.911 3.551 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH2+]CCC[N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000122770744 882702548 /nfs/dbraw/zinc/70/25/48/882702548.db2.gz XWZMBLFZWATULB-UHFFFAOYSA-N 3 2 377.576 3.732 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH2+]CCC[N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000122770744 882702557 /nfs/dbraw/zinc/70/25/57/882702557.db2.gz XWZMBLFZWATULB-UHFFFAOYSA-N 3 2 377.576 3.732 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527869381 873697676 /nfs/dbraw/zinc/69/76/76/873697676.db2.gz QPGHAEWKPAVHQB-BULFRSBZSA-N 2 2 388.914 3.939 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527869381 873697679 /nfs/dbraw/zinc/69/76/79/873697679.db2.gz QPGHAEWKPAVHQB-BULFRSBZSA-N 2 2 388.914 3.939 20 0 GHADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000541558540 873829374 /nfs/dbraw/zinc/82/93/74/873829374.db2.gz CVGCOOOJGBQKOL-YOEHRIQHSA-N 2 2 383.939 3.899 20 0 GHADLP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000541571061 873884443 /nfs/dbraw/zinc/88/44/43/873884443.db2.gz MMPGPIQYBBLDNP-UPVQGACJSA-N 2 2 391.490 3.667 20 0 GHADLP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000541571061 873884461 /nfs/dbraw/zinc/88/44/61/873884461.db2.gz MMPGPIQYBBLDNP-UPVQGACJSA-N 2 2 391.490 3.667 20 0 GHADLP CCn1nc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c2ccccc21 ZINC000769916266 874339115 /nfs/dbraw/zinc/33/91/15/874339115.db2.gz FUKMFCXCSFPVIX-UHFFFAOYSA-N 2 2 377.536 3.881 20 0 GHADLP Fc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1Br ZINC000449059157 874396321 /nfs/dbraw/zinc/39/63/21/874396321.db2.gz ASRRDNBSMMCGAO-UHFFFAOYSA-N 2 2 393.300 3.710 20 0 GHADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464832712 874565164 /nfs/dbraw/zinc/56/51/64/874565164.db2.gz CLUHOWLUUGCXNH-UYAOXDASSA-N 2 2 399.966 3.799 20 0 GHADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464832712 874565171 /nfs/dbraw/zinc/56/51/71/874565171.db2.gz CLUHOWLUUGCXNH-UYAOXDASSA-N 2 2 399.966 3.799 20 0 GHADLP C[C@H](C(=O)NCc1ccccc1Cl)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464832712 874565177 /nfs/dbraw/zinc/56/51/77/874565177.db2.gz CLUHOWLUUGCXNH-UYAOXDASSA-N 2 2 399.966 3.799 20 0 GHADLP C[C@H](C(=O)NCc1ccccc1Cl)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464832712 874565188 /nfs/dbraw/zinc/56/51/88/874565188.db2.gz CLUHOWLUUGCXNH-UYAOXDASSA-N 2 2 399.966 3.799 20 0 GHADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464836244 874570021 /nfs/dbraw/zinc/57/00/21/874570021.db2.gz JQQOYOUJKSAJLL-NQIIRXRSSA-N 2 2 399.966 3.799 20 0 GHADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464836244 874570033 /nfs/dbraw/zinc/57/00/33/874570033.db2.gz JQQOYOUJKSAJLL-NQIIRXRSSA-N 2 2 399.966 3.799 20 0 GHADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464836244 874570040 /nfs/dbraw/zinc/57/00/40/874570040.db2.gz JQQOYOUJKSAJLL-NQIIRXRSSA-N 2 2 399.966 3.799 20 0 GHADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464836244 874570050 /nfs/dbraw/zinc/57/00/50/874570050.db2.gz JQQOYOUJKSAJLL-NQIIRXRSSA-N 2 2 399.966 3.799 20 0 GHADLP CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844170 874617354 /nfs/dbraw/zinc/61/73/54/874617354.db2.gz FFHFDVZUOWTUKZ-JOCHJYFZSA-N 2 2 397.538 3.628 20 0 GHADLP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844170 874617367 /nfs/dbraw/zinc/61/73/67/874617367.db2.gz FFHFDVZUOWTUKZ-JOCHJYFZSA-N 2 2 397.538 3.628 20 0 GHADLP CCN(Cc1cccc(F)c1)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844170 874617378 /nfs/dbraw/zinc/61/73/78/874617378.db2.gz FFHFDVZUOWTUKZ-JOCHJYFZSA-N 2 2 397.538 3.628 20 0 GHADLP CCN(Cc1cccc(F)c1)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464844170 874617392 /nfs/dbraw/zinc/61/73/92/874617392.db2.gz FFHFDVZUOWTUKZ-JOCHJYFZSA-N 2 2 397.538 3.628 20 0 GHADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc(OCc3ccccc3F)nc2)CC1 ZINC001198772133 874624601 /nfs/dbraw/zinc/62/46/01/874624601.db2.gz ZQBJCUGPYFNDHW-UHFFFAOYSA-N 2 2 380.467 3.913 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cn2nc(N(C)C)sc2=S)CC1)CC1CC1 ZINC000770685327 874821396 /nfs/dbraw/zinc/82/13/96/874821396.db2.gz NGJDDINUOJBRIX-UHFFFAOYSA-N 2 2 383.631 3.532 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cn2nc(N(C)C)sc2=S)CC1)CC1CC1 ZINC000770685327 874821406 /nfs/dbraw/zinc/82/14/06/874821406.db2.gz NGJDDINUOJBRIX-UHFFFAOYSA-N 2 2 383.631 3.532 20 0 GHADLP OCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000449439973 874893220 /nfs/dbraw/zinc/89/32/20/874893220.db2.gz XXBOVDPAIKSXPX-GOSISDBHSA-N 2 2 379.426 3.783 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3cc4cc(C)c(C)cc4o3)C2)CC1 ZINC000449507848 874970145 /nfs/dbraw/zinc/97/01/45/874970145.db2.gz UKVFUDKIMGFRPH-NRFANRHFSA-N 2 2 397.563 3.816 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3cc4cc(C)c(C)cc4o3)C2)CC1 ZINC000449507848 874970155 /nfs/dbraw/zinc/97/01/55/874970155.db2.gz UKVFUDKIMGFRPH-NRFANRHFSA-N 2 2 397.563 3.816 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3cc4cc(C)c(C)cc4o3)C2)CC1 ZINC000449507848 874970163 /nfs/dbraw/zinc/97/01/63/874970163.db2.gz UKVFUDKIMGFRPH-NRFANRHFSA-N 2 2 397.563 3.816 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc4cc(C)c(C)cc4o3)C2)CC1 ZINC000449507848 874970174 /nfs/dbraw/zinc/97/01/74/874970174.db2.gz UKVFUDKIMGFRPH-NRFANRHFSA-N 2 2 397.563 3.816 20 0 GHADLP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000528802027 875077021 /nfs/dbraw/zinc/07/70/21/875077021.db2.gz KTEGUYKPPUEKDF-NHCUHLMSSA-N 2 2 380.536 3.664 20 0 GHADLP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000528802027 875077033 /nfs/dbraw/zinc/07/70/33/875077033.db2.gz KTEGUYKPPUEKDF-NHCUHLMSSA-N 2 2 380.536 3.664 20 0 GHADLP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000528802027 875077047 /nfs/dbraw/zinc/07/70/47/875077047.db2.gz KTEGUYKPPUEKDF-NHCUHLMSSA-N 2 2 380.536 3.664 20 0 GHADLP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000528802027 875077059 /nfs/dbraw/zinc/07/70/59/875077059.db2.gz KTEGUYKPPUEKDF-NHCUHLMSSA-N 2 2 380.536 3.664 20 0 GHADLP C[C@@H](O)c1ccc(C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)cc1 ZINC001199731985 875153749 /nfs/dbraw/zinc/15/37/49/875153749.db2.gz AUNCAMPTIRHHHM-MRXNPFEDSA-N 2 2 385.895 3.959 20 0 GHADLP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2cccnc2Cl)CC1)CC1CC1 ZINC000771475222 875277702 /nfs/dbraw/zinc/27/77/02/875277702.db2.gz GYKDCJVGNGLXHW-MRXNPFEDSA-N 2 2 392.975 3.896 20 0 GHADLP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2cccnc2Cl)CC1)CC1CC1 ZINC000771475222 875277713 /nfs/dbraw/zinc/27/77/13/875277713.db2.gz GYKDCJVGNGLXHW-MRXNPFEDSA-N 2 2 392.975 3.896 20 0 GHADLP OC[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(C(F)(F)F)cc1 ZINC000542313717 875353057 /nfs/dbraw/zinc/35/30/57/875353057.db2.gz WTWGCNFJLWEKKW-OAHLLOKOSA-N 2 2 395.450 3.893 20 0 GHADLP C[C@H](c1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c1)[NH+]1CCOCC1 ZINC000449846238 875509685 /nfs/dbraw/zinc/50/96/85/875509685.db2.gz WTVWLSAGCMBKRM-GCJKJVERSA-N 2 2 385.552 3.815 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccccc3OCC(F)(F)F)[nH+]c2)C1 ZINC001201536630 875734234 /nfs/dbraw/zinc/73/42/34/875734234.db2.gz UEALOZSNZMZBJA-KRWDZBQOSA-N 2 2 394.441 3.775 20 0 GHADLP CCCn1c(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)nc2ccccc21 ZINC001201542364 875738236 /nfs/dbraw/zinc/73/82/36/875738236.db2.gz PQTFWIYMKAVROE-SFHVURJKSA-N 2 2 378.524 3.594 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2cc(Cl)ccc2Cl)([NH+]2CCCCC2)CC1 ZINC000172750382 875898115 /nfs/dbraw/zinc/89/81/15/875898115.db2.gz WDRRUFHGVVWDGK-UHFFFAOYSA-N 2 2 384.351 3.674 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2ccc(-c3ccc(F)cc3)o2)([NH+]2CCCCC2)CC1 ZINC000172750143 875898343 /nfs/dbraw/zinc/89/83/43/875898343.db2.gz GWDKNQHDNAORDH-UHFFFAOYSA-N 2 2 399.510 3.766 20 0 GHADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000108428107 876466639 /nfs/dbraw/zinc/46/66/39/876466639.db2.gz BRLLZKPMCDMNPA-OAHLLOKOSA-N 2 2 381.351 3.978 20 0 GHADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000108428107 876466652 /nfs/dbraw/zinc/46/66/52/876466652.db2.gz BRLLZKPMCDMNPA-OAHLLOKOSA-N 2 2 381.351 3.978 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CCN3Cc3ccccc3)CC2)cc1 ZINC000850416671 876897334 /nfs/dbraw/zinc/89/73/34/876897334.db2.gz NWKNOFSNABDITA-XMMPIXPASA-N 2 2 378.564 3.586 20 0 GHADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000786836872 876956584 /nfs/dbraw/zinc/95/65/84/876956584.db2.gz PMTNPLMXLLZJCS-UWJYYQICSA-N 2 2 389.503 3.584 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cccc2ccccc21 ZINC000134874340 883083514 /nfs/dbraw/zinc/08/35/14/883083514.db2.gz VDGXHTRLDPEBPL-MFSJNOQSSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cccc2ccccc21 ZINC000134874340 883083523 /nfs/dbraw/zinc/08/35/23/883083523.db2.gz VDGXHTRLDPEBPL-MFSJNOQSSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc2ccccc21 ZINC000134874340 883083534 /nfs/dbraw/zinc/08/35/34/883083534.db2.gz VDGXHTRLDPEBPL-MFSJNOQSSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc2ccccc21 ZINC000134874340 883083546 /nfs/dbraw/zinc/08/35/46/883083546.db2.gz VDGXHTRLDPEBPL-MFSJNOQSSA-N 2 2 391.559 3.966 20 0 GHADLP CC[N@@H+](CC(=O)N(C1CC1)C1CCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392190 877004469 /nfs/dbraw/zinc/00/44/69/877004469.db2.gz IKOKODXCIARLDA-UHFFFAOYSA-N 2 2 384.568 3.554 20 0 GHADLP CC[N@H+](CC(=O)N(C1CC1)C1CCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392190 877004483 /nfs/dbraw/zinc/00/44/83/877004483.db2.gz IKOKODXCIARLDA-UHFFFAOYSA-N 2 2 384.568 3.554 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H](O)c3cc(F)cc(Cl)c3)CC2)cc1 ZINC000787025279 877101309 /nfs/dbraw/zinc/10/13/09/877101309.db2.gz KLFQETICYSXVAI-OAQYLSRUSA-N 2 2 391.918 3.837 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000134911634 883104254 /nfs/dbraw/zinc/10/42/54/883104254.db2.gz ZJMNYFKVDMZBHY-MHYXUVESSA-N 2 2 395.547 3.947 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000134911634 883104274 /nfs/dbraw/zinc/10/42/74/883104274.db2.gz ZJMNYFKVDMZBHY-MHYXUVESSA-N 2 2 395.547 3.947 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000134911634 883104295 /nfs/dbraw/zinc/10/42/95/883104295.db2.gz ZJMNYFKVDMZBHY-MHYXUVESSA-N 2 2 395.547 3.947 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000134911634 883104308 /nfs/dbraw/zinc/10/43/08/883104308.db2.gz ZJMNYFKVDMZBHY-MHYXUVESSA-N 2 2 395.547 3.947 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000787301668 877328363 /nfs/dbraw/zinc/32/83/63/877328363.db2.gz CCSGXOQOINCAAH-AVRDEDQJSA-N 2 2 383.536 3.505 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000787301668 877328374 /nfs/dbraw/zinc/32/83/74/877328374.db2.gz CCSGXOQOINCAAH-AVRDEDQJSA-N 2 2 383.536 3.505 20 0 GHADLP C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1ccc(Cn3cc[nH+]c3)cc1)CC2 ZINC000615439336 877735870 /nfs/dbraw/zinc/73/58/70/877735870.db2.gz AYFSSODDGLSMBD-UHFFFAOYSA-N 2 2 380.536 3.658 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000788245171 877946561 /nfs/dbraw/zinc/94/65/61/877946561.db2.gz PVQVVUXYELYSFQ-QZTJIDSGSA-N 2 2 376.545 3.578 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000530527801 878004861 /nfs/dbraw/zinc/00/48/61/878004861.db2.gz RYMZLNXDPXMUBV-SFHVURJKSA-N 2 2 394.563 3.727 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000530527801 878004882 /nfs/dbraw/zinc/00/48/82/878004882.db2.gz RYMZLNXDPXMUBV-SFHVURJKSA-N 2 2 394.563 3.727 20 0 GHADLP Brc1ccccc1OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245537313 878062334 /nfs/dbraw/zinc/06/23/34/878062334.db2.gz IVFKGLRPYOPGCC-MAUKXSAKSA-N 2 2 379.342 3.777 20 0 GHADLP Brc1ccccc1OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245537313 878062348 /nfs/dbraw/zinc/06/23/48/878062348.db2.gz IVFKGLRPYOPGCC-MAUKXSAKSA-N 2 2 379.342 3.777 20 0 GHADLP Brc1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245537313 878062367 /nfs/dbraw/zinc/06/23/67/878062367.db2.gz IVFKGLRPYOPGCC-MAUKXSAKSA-N 2 2 379.342 3.777 20 0 GHADLP Brc1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245537313 878062382 /nfs/dbraw/zinc/06/23/82/878062382.db2.gz IVFKGLRPYOPGCC-MAUKXSAKSA-N 2 2 379.342 3.777 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000245573940 878131853 /nfs/dbraw/zinc/13/18/53/878131853.db2.gz DBHASDUXKHIPKS-SYYKKAFVSA-N 2 2 382.527 3.690 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000245573940 878131860 /nfs/dbraw/zinc/13/18/60/878131860.db2.gz DBHASDUXKHIPKS-SYYKKAFVSA-N 2 2 382.527 3.690 20 0 GHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000245596121 878167608 /nfs/dbraw/zinc/16/76/08/878167608.db2.gz LNHOMXUXNMYKEK-BVYCBKJFSA-N 2 2 396.535 3.528 20 0 GHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000245596121 878167613 /nfs/dbraw/zinc/16/76/13/878167613.db2.gz LNHOMXUXNMYKEK-BVYCBKJFSA-N 2 2 396.535 3.528 20 0 GHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000788608299 878203535 /nfs/dbraw/zinc/20/35/35/878203535.db2.gz MWAVYXMXPHVTPP-DLBZAZTESA-N 2 2 375.557 3.961 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000245719557 878467856 /nfs/dbraw/zinc/46/78/56/878467856.db2.gz PJQLEMUXMCNJJX-MTNREXPMSA-N 2 2 389.559 3.725 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000245719557 878467863 /nfs/dbraw/zinc/46/78/63/878467863.db2.gz PJQLEMUXMCNJJX-MTNREXPMSA-N 2 2 389.559 3.725 20 0 GHADLP O=C1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccccc1 ZINC000245741207 878514802 /nfs/dbraw/zinc/51/48/02/878514802.db2.gz ROOBTWUFIUUCTB-MALNDZBISA-N 2 2 375.516 3.577 20 0 GHADLP O=C1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccccc1 ZINC000245741207 878514819 /nfs/dbraw/zinc/51/48/19/878514819.db2.gz ROOBTWUFIUUCTB-MALNDZBISA-N 2 2 375.516 3.577 20 0 GHADLP COc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1SC(F)(F)F ZINC000852760897 878584160 /nfs/dbraw/zinc/58/41/60/878584160.db2.gz NZFKMMLNCMYBDH-OAHLLOKOSA-N 2 2 392.487 3.850 20 0 GHADLP COc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1SC(F)(F)F ZINC000852760897 878584176 /nfs/dbraw/zinc/58/41/76/878584176.db2.gz NZFKMMLNCMYBDH-OAHLLOKOSA-N 2 2 392.487 3.850 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCOc3ccc(F)cc32)CC1 ZINC000178123995 879010495 /nfs/dbraw/zinc/01/04/95/879010495.db2.gz KKEUNKLVLLMYNU-LJQANCHMSA-N 2 2 389.902 3.844 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246122310 879017661 /nfs/dbraw/zinc/01/76/61/879017661.db2.gz HIUSXWNLKMZHQA-UXHICEINSA-N 2 2 379.548 3.554 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246122310 879017677 /nfs/dbraw/zinc/01/76/77/879017677.db2.gz HIUSXWNLKMZHQA-UXHICEINSA-N 2 2 379.548 3.554 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246122310 879017695 /nfs/dbraw/zinc/01/76/95/879017695.db2.gz HIUSXWNLKMZHQA-UXHICEINSA-N 2 2 379.548 3.554 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246122310 879017715 /nfs/dbraw/zinc/01/77/15/879017715.db2.gz HIUSXWNLKMZHQA-UXHICEINSA-N 2 2 379.548 3.554 20 0 GHADLP O=C1[C@@H](C2CCCCC2)CCN1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000853511190 879073051 /nfs/dbraw/zinc/07/30/51/879073051.db2.gz NLLLWDXBXDBUMI-OAQYLSRUSA-N 2 2 384.568 3.785 20 0 GHADLP CC(C)CC[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246177711 879114466 /nfs/dbraw/zinc/11/44/66/879114466.db2.gz CYSTZNRACDHWTH-CEWLAPEOSA-N 2 2 380.621 3.790 20 0 GHADLP CC(C)CC[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246177711 879114474 /nfs/dbraw/zinc/11/44/74/879114474.db2.gz CYSTZNRACDHWTH-CEWLAPEOSA-N 2 2 380.621 3.790 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1c(Cl)cccc1N1CCCC1 ZINC000538305535 879225135 /nfs/dbraw/zinc/22/51/35/879225135.db2.gz RWHRDNPANLEKOB-HBGVWJBISA-N 2 2 377.960 3.624 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1c(Cl)cccc1N1CCCC1 ZINC000538305535 879225147 /nfs/dbraw/zinc/22/51/47/879225147.db2.gz RWHRDNPANLEKOB-HBGVWJBISA-N 2 2 377.960 3.624 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NC3CC[NH+](Cc4ccccc4)CC3)[nH+]c2)CC1 ZINC000538502457 879587150 /nfs/dbraw/zinc/58/71/50/879587150.db2.gz VHVKPDFXSKOJLJ-UHFFFAOYSA-N 3 2 393.579 3.689 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246487760 879610828 /nfs/dbraw/zinc/61/08/28/879610828.db2.gz GYYHSRTXWQWIQQ-PWIZWCRZSA-N 2 2 387.593 3.533 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246487760 879610835 /nfs/dbraw/zinc/61/08/35/879610835.db2.gz GYYHSRTXWQWIQQ-PWIZWCRZSA-N 2 2 387.593 3.533 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246487760 879610839 /nfs/dbraw/zinc/61/08/39/879610839.db2.gz GYYHSRTXWQWIQQ-PWIZWCRZSA-N 2 2 387.593 3.533 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246487760 879610842 /nfs/dbraw/zinc/61/08/42/879610842.db2.gz GYYHSRTXWQWIQQ-PWIZWCRZSA-N 2 2 387.593 3.533 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)oc1C ZINC000531342776 879660566 /nfs/dbraw/zinc/66/05/66/879660566.db2.gz ABVSYKZEFGSCCQ-HSZRJFAPSA-N 2 2 382.504 3.863 20 0 GHADLP COC(=O)c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)oc1C ZINC000531342776 879660569 /nfs/dbraw/zinc/66/05/69/879660569.db2.gz ABVSYKZEFGSCCQ-HSZRJFAPSA-N 2 2 382.504 3.863 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)oc1C ZINC000531342776 879660573 /nfs/dbraw/zinc/66/05/73/879660573.db2.gz ABVSYKZEFGSCCQ-HSZRJFAPSA-N 2 2 382.504 3.863 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)oc1C ZINC000531342776 879660580 /nfs/dbraw/zinc/66/05/80/879660580.db2.gz ABVSYKZEFGSCCQ-HSZRJFAPSA-N 2 2 382.504 3.863 20 0 GHADLP CC[N@H+](Cc1ccc2ccccc2c1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790368573 879672523 /nfs/dbraw/zinc/67/25/23/879672523.db2.gz JUEVRNZEZGOPNZ-QHCPKHFHSA-N 2 2 379.504 3.536 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cs2)cc1OC ZINC000247005820 879880453 /nfs/dbraw/zinc/88/04/53/879880453.db2.gz PVMCOHWSKCOANP-FUHWJXTLSA-N 2 2 387.549 3.743 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cs2)cc1OC ZINC000247005820 879880472 /nfs/dbraw/zinc/88/04/72/879880472.db2.gz PVMCOHWSKCOANP-FUHWJXTLSA-N 2 2 387.549 3.743 20 0 GHADLP COc1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cs2)cc1OC ZINC000247005820 879880494 /nfs/dbraw/zinc/88/04/94/879880494.db2.gz PVMCOHWSKCOANP-FUHWJXTLSA-N 2 2 387.549 3.743 20 0 GHADLP COc1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cs2)cc1OC ZINC000247005820 879880507 /nfs/dbraw/zinc/88/05/07/879880507.db2.gz PVMCOHWSKCOANP-FUHWJXTLSA-N 2 2 387.549 3.743 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000477777150 879908642 /nfs/dbraw/zinc/90/86/42/879908642.db2.gz XYMPHNOBSZLQLN-PZPSRYQVSA-N 2 2 385.474 3.522 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000477777150 879908655 /nfs/dbraw/zinc/90/86/55/879908655.db2.gz XYMPHNOBSZLQLN-PZPSRYQVSA-N 2 2 385.474 3.522 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000247797206 880068848 /nfs/dbraw/zinc/06/88/48/880068848.db2.gz ZTNRNNRBSUFLRT-NRSPTQNISA-N 2 2 383.540 3.559 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ncc(-c2ccccc2)n1C ZINC000453193142 880599670 /nfs/dbraw/zinc/59/96/70/880599670.db2.gz DXLKWUZALFEQGQ-AVRDEDQJSA-N 2 2 390.531 3.505 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ncc(-c2ccccc2)n1C ZINC000453193142 880599683 /nfs/dbraw/zinc/59/96/83/880599683.db2.gz DXLKWUZALFEQGQ-AVRDEDQJSA-N 2 2 390.531 3.505 20 0 GHADLP CCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000531891674 880692578 /nfs/dbraw/zinc/69/25/78/880692578.db2.gz CHNWXEAECIBPGY-WIYYLYMNSA-N 2 2 391.519 3.701 20 0 GHADLP CCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000531891674 880692583 /nfs/dbraw/zinc/69/25/83/880692583.db2.gz CHNWXEAECIBPGY-WIYYLYMNSA-N 2 2 391.519 3.701 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000187013309 881049908 /nfs/dbraw/zinc/04/99/08/881049908.db2.gz UHZUXEDSHMZDQC-WIYYLYMNSA-N 2 2 383.536 3.505 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000187013309 881049927 /nfs/dbraw/zinc/04/99/27/881049927.db2.gz UHZUXEDSHMZDQC-WIYYLYMNSA-N 2 2 383.536 3.505 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000187367861 881166952 /nfs/dbraw/zinc/16/69/52/881166952.db2.gz CWGRQPVAJRIDML-GOSISDBHSA-N 2 2 394.494 3.988 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000187367861 881166962 /nfs/dbraw/zinc/16/69/62/881166962.db2.gz CWGRQPVAJRIDML-GOSISDBHSA-N 2 2 394.494 3.988 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)C[C@H]1c1ccccc1 ZINC000551084249 883259009 /nfs/dbraw/zinc/25/90/09/883259009.db2.gz UFMLWBHCKIDKRX-CUWPLCDZSA-N 2 2 383.923 3.870 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)C[C@H]1c1ccccc1 ZINC000551084249 883259022 /nfs/dbraw/zinc/25/90/22/883259022.db2.gz UFMLWBHCKIDKRX-CUWPLCDZSA-N 2 2 383.923 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(-c3cnn(C)c3C)no2)cc1 ZINC000184732369 883363315 /nfs/dbraw/zinc/36/33/15/883363315.db2.gz ZNZMBOLMOSPWCX-AWEZNQCLSA-N 2 2 376.464 3.728 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(Br)cs1 ZINC000193968252 883606271 /nfs/dbraw/zinc/60/62/71/883606271.db2.gz ANWZFWAHOBVIKL-CXAGYDPISA-N 2 2 395.366 3.580 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(Br)cs1 ZINC000193968252 883606275 /nfs/dbraw/zinc/60/62/75/883606275.db2.gz ANWZFWAHOBVIKL-CXAGYDPISA-N 2 2 395.366 3.580 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1 ZINC000859215249 883668952 /nfs/dbraw/zinc/66/89/52/883668952.db2.gz ZXNXSSXMTMANHL-UHFFFAOYSA-N 2 2 382.533 3.579 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1 ZINC000859215249 883668961 /nfs/dbraw/zinc/66/89/61/883668961.db2.gz ZXNXSSXMTMANHL-UHFFFAOYSA-N 2 2 382.533 3.579 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)C[C@H]1c1ccccc1 ZINC000556177956 884024421 /nfs/dbraw/zinc/02/44/21/884024421.db2.gz RSWIWUKKENUEOB-HKUYNNGSSA-N 2 2 392.952 3.669 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)C[C@H]1c1ccccc1 ZINC000556177956 884024436 /nfs/dbraw/zinc/02/44/36/884024436.db2.gz RSWIWUKKENUEOB-HKUYNNGSSA-N 2 2 392.952 3.669 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000192080684 884233360 /nfs/dbraw/zinc/23/33/60/884233360.db2.gz REEDDOKUSOGTHB-UHFFFAOYSA-N 2 2 390.487 3.737 20 0 GHADLP COc1ccc([NH+]2C=CC(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)C=C2)c2[nH]ccc21 ZINC001170494259 884246785 /nfs/dbraw/zinc/24/67/85/884246785.db2.gz ZDWILZJOHLTWCL-KLAILNCOSA-N 2 2 392.503 3.548 20 0 GHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000494950367 884277827 /nfs/dbraw/zinc/27/78/27/884277827.db2.gz GBWUQQJJAVAJCS-FTXHTYHOSA-N 2 2 397.485 3.844 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)CC2)cc1 ZINC000495005946 884361658 /nfs/dbraw/zinc/36/16/58/884361658.db2.gz KPSKWAJCFZZPLW-JOCHJYFZSA-N 2 2 394.563 3.769 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)CC2)cc1 ZINC000495005946 884361681 /nfs/dbraw/zinc/36/16/81/884361681.db2.gz KPSKWAJCFZZPLW-JOCHJYFZSA-N 2 2 394.563 3.769 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000250116634 884545956 /nfs/dbraw/zinc/54/59/56/884545956.db2.gz UORFMEYXMLHMID-SDUSCBPUSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000250116634 884545964 /nfs/dbraw/zinc/54/59/64/884545964.db2.gz UORFMEYXMLHMID-SDUSCBPUSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000250116634 884545973 /nfs/dbraw/zinc/54/59/73/884545973.db2.gz UORFMEYXMLHMID-SDUSCBPUSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000250116634 884545983 /nfs/dbraw/zinc/54/59/83/884545983.db2.gz UORFMEYXMLHMID-SDUSCBPUSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(F)cc1N(C)C ZINC000537485368 884559946 /nfs/dbraw/zinc/55/99/46/884559946.db2.gz AOPGQFMSTBMCCF-INIZCTEOSA-N 2 2 385.531 3.990 20 0 GHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000130651153 884942039 /nfs/dbraw/zinc/94/20/39/884942039.db2.gz IGLVUJOISLJMQF-JOCHJYFZSA-N 2 2 392.503 3.902 20 0 GHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000130651153 884942060 /nfs/dbraw/zinc/94/20/60/884942060.db2.gz IGLVUJOISLJMQF-JOCHJYFZSA-N 2 2 392.503 3.902 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000130722446 885036411 /nfs/dbraw/zinc/03/64/11/885036411.db2.gz LXFCQRACGVQQQS-UHFFFAOYSA-N 2 2 388.821 3.824 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000130722446 885036430 /nfs/dbraw/zinc/03/64/30/885036430.db2.gz LXFCQRACGVQQQS-UHFFFAOYSA-N 2 2 388.821 3.824 20 0 GHADLP CCC[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000465480714 885138353 /nfs/dbraw/zinc/13/83/53/885138353.db2.gz XFIHSZYQRUCIOE-NRFANRHFSA-N 2 2 386.584 3.777 20 0 GHADLP CC(C)Cc1ccc([C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)N(C)C)cc1 ZINC000655768658 885532145 /nfs/dbraw/zinc/53/21/45/885532145.db2.gz LMOUGTOBILGVKR-RPWUZVMVSA-N 2 2 387.612 3.721 20 0 GHADLP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)c(Cl)c1 ZINC001275281978 912962514 /nfs/dbraw/zinc/96/25/14/912962514.db2.gz KRQKEKGMGPKBEN-LJQANCHMSA-N 2 2 384.351 3.512 20 0 GHADLP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)c(Cl)c1 ZINC001275281978 912962520 /nfs/dbraw/zinc/96/25/20/912962520.db2.gz KRQKEKGMGPKBEN-LJQANCHMSA-N 2 2 384.351 3.512 20 0 GHADLP Cc1cc(C)c(CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c[nH+]1 ZINC000556663344 885832979 /nfs/dbraw/zinc/83/29/79/885832979.db2.gz IGHLSTVWLUWAOQ-UHFFFAOYSA-N 2 2 381.524 3.542 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccc(F)cc1 ZINC000498837742 885897580 /nfs/dbraw/zinc/89/75/80/885897580.db2.gz MROFWONGAYHNSN-UFYCRDLUSA-N 2 2 389.559 3.835 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccc(F)cc1 ZINC000498837742 885897587 /nfs/dbraw/zinc/89/75/87/885897587.db2.gz MROFWONGAYHNSN-UFYCRDLUSA-N 2 2 389.559 3.835 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498838349 885900896 /nfs/dbraw/zinc/90/08/96/885900896.db2.gz OTVRHGZAHKXMHB-FYYLOGMGSA-N 2 2 385.596 3.868 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498838349 885900908 /nfs/dbraw/zinc/90/09/08/885900908.db2.gz OTVRHGZAHKXMHB-FYYLOGMGSA-N 2 2 385.596 3.868 20 0 GHADLP Cc1cc(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(C)n1-c1nccs1 ZINC000131393760 886013982 /nfs/dbraw/zinc/01/39/82/886013982.db2.gz ZVMDWNFLGRSBGJ-UHFFFAOYSA-N 2 2 386.565 3.541 20 0 GHADLP C[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173451591 886279585 /nfs/dbraw/zinc/27/95/85/886279585.db2.gz ZGJZXXCRANUNKC-UYAOXDASSA-N 2 2 381.524 3.593 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842024 886283513 /nfs/dbraw/zinc/28/35/13/886283513.db2.gz HIUSXWNLKMZHQA-WOJBJXKFSA-N 2 2 379.548 3.554 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842024 886283531 /nfs/dbraw/zinc/28/35/31/886283531.db2.gz HIUSXWNLKMZHQA-WOJBJXKFSA-N 2 2 379.548 3.554 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842024 886283549 /nfs/dbraw/zinc/28/35/49/886283549.db2.gz HIUSXWNLKMZHQA-WOJBJXKFSA-N 2 2 379.548 3.554 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842024 886283568 /nfs/dbraw/zinc/28/35/68/886283568.db2.gz HIUSXWNLKMZHQA-WOJBJXKFSA-N 2 2 379.548 3.554 20 0 GHADLP Brc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc2c1OCCCO2 ZINC000556834910 886300924 /nfs/dbraw/zinc/30/09/24/886300924.db2.gz DNBQSGGXBKDBHC-UHFFFAOYSA-N 2 2 392.297 3.713 20 0 GHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CCC[C@H]([NH+](C)C)CC3)ccc2c1 ZINC000429551603 886732785 /nfs/dbraw/zinc/73/27/85/886732785.db2.gz FSJGPRPKZQMNQB-AVRDEDQJSA-N 2 2 397.563 3.611 20 0 GHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CCC[C@H]([NH+](C)C)CC3)ccc2c1 ZINC000429551603 886732792 /nfs/dbraw/zinc/73/27/92/886732792.db2.gz FSJGPRPKZQMNQB-AVRDEDQJSA-N 2 2 397.563 3.611 20 0 GHADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000236934273 886896584 /nfs/dbraw/zinc/89/65/84/886896584.db2.gz XBUUFLOKHXPVGG-CQSZACIVSA-N 2 2 377.330 3.661 20 0 GHADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000236934273 886896596 /nfs/dbraw/zinc/89/65/96/886896596.db2.gz XBUUFLOKHXPVGG-CQSZACIVSA-N 2 2 377.330 3.661 20 0 GHADLP C[C@H]([NH2+][C@H](c1nccn1C)c1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000128322239 887172227 /nfs/dbraw/zinc/17/22/27/887172227.db2.gz SIVVYOHCJTUDKM-JTSKRJEESA-N 2 2 396.510 3.940 20 0 GHADLP CCC[N@H+](CCCCn1cc[nH+]c1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000128573660 887201992 /nfs/dbraw/zinc/20/19/92/887201992.db2.gz IEGOTRXFBPPESM-UHFFFAOYSA-N 3 2 384.572 3.760 20 0 GHADLP CCC[N@@H+](CCCCn1cc[nH+]c1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000128573660 887202007 /nfs/dbraw/zinc/20/20/07/887202007.db2.gz IEGOTRXFBPPESM-UHFFFAOYSA-N 3 2 384.572 3.760 20 0 GHADLP CC[NH+](CC)CCOc1ccc(-c2noc([C@H]([NH3+])c3cccc(OC)c3)n2)cc1 ZINC000863667584 887276655 /nfs/dbraw/zinc/27/66/55/887276655.db2.gz JNCRMIMXVRRDFT-HXUWFJFHSA-N 2 2 396.491 3.514 20 0 GHADLP CC(C)Oc1ccc([C@@H](CNC2CC[NH+](Cc3ccccn3)CC2)[NH+](C)C)cc1 ZINC000287140958 913137560 /nfs/dbraw/zinc/13/75/60/913137560.db2.gz SFWAQCUWQQXZGD-XMMPIXPASA-N 2 2 396.579 3.726 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000536594540 887397983 /nfs/dbraw/zinc/39/79/83/887397983.db2.gz RYZZGHRTWRXJDX-XGHQBKJUSA-N 2 2 376.504 3.629 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000536594540 887397995 /nfs/dbraw/zinc/39/79/95/887397995.db2.gz RYZZGHRTWRXJDX-XGHQBKJUSA-N 2 2 376.504 3.629 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4c(ccc5ccccc45)[nH]3)CC2)CC1 ZINC000050803177 887711772 /nfs/dbraw/zinc/71/17/72/887711772.db2.gz QTGYALSMTFSBGL-UHFFFAOYSA-N 2 2 390.531 3.610 20 0 GHADLP C[C@H]([NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000865524033 888407203 /nfs/dbraw/zinc/40/72/03/888407203.db2.gz HJVIJTHMZZXYHW-JKSUJKDBSA-N 2 2 389.544 3.566 20 0 GHADLP C[C@H]([NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000865524033 888407211 /nfs/dbraw/zinc/40/72/11/888407211.db2.gz HJVIJTHMZZXYHW-JKSUJKDBSA-N 2 2 389.544 3.566 20 0 GHADLP Clc1ccc(N2CCC[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)c(Cl)c1 ZINC000655760446 888452413 /nfs/dbraw/zinc/45/24/13/888452413.db2.gz QGEMDVCNMKVSQW-QZTJIDSGSA-N 2 2 398.378 3.805 20 0 GHADLP Cc1cccn2cc(CC(=O)NCC[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000532794956 889004925 /nfs/dbraw/zinc/00/49/25/889004925.db2.gz DNPGVLUZQHQJLV-PZJWPPBQSA-N 2 2 390.531 3.602 20 0 GHADLP Cc1cccn2cc(CC(=O)NCC[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000532794956 889004937 /nfs/dbraw/zinc/00/49/37/889004937.db2.gz DNPGVLUZQHQJLV-PZJWPPBQSA-N 2 2 390.531 3.602 20 0 GHADLP CN(C(=O)c1coc2ccccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124545161 889669711 /nfs/dbraw/zinc/66/97/11/889669711.db2.gz GZNNLNONJUUXLM-RTWAWAEBSA-N 2 2 383.536 3.842 20 0 GHADLP CN(C(=O)c1coc2ccccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124545161 889669715 /nfs/dbraw/zinc/66/97/15/889669715.db2.gz GZNNLNONJUUXLM-RTWAWAEBSA-N 2 2 383.536 3.842 20 0 GHADLP CN(C(=O)c1ccc2c(c1)CCC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124693490 889726974 /nfs/dbraw/zinc/72/69/74/889726974.db2.gz RABLTSVDMWLDHL-PKTZIBPZSA-N 2 2 383.580 3.585 20 0 GHADLP CN(C(=O)c1ccc2c(c1)CCC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124693490 889726981 /nfs/dbraw/zinc/72/69/81/889726981.db2.gz RABLTSVDMWLDHL-PKTZIBPZSA-N 2 2 383.580 3.585 20 0 GHADLP [NH3+][C@H]1CC[C@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000870881820 890559623 /nfs/dbraw/zinc/55/96/23/890559623.db2.gz NEQJNSRRPONMTJ-AQYVVDRMSA-N 2 2 388.515 3.732 20 0 GHADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)[C@@H](C)c3ccccc3F)cc2)CC1 ZINC000917063655 890911429 /nfs/dbraw/zinc/91/14/29/890911429.db2.gz DJJOULVKXVTUDH-SFHVURJKSA-N 2 2 398.526 3.599 20 0 GHADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@@H](C)c3ccccc3F)cc2)CC1 ZINC000917063655 890911434 /nfs/dbraw/zinc/91/14/34/890911434.db2.gz DJJOULVKXVTUDH-SFHVURJKSA-N 2 2 398.526 3.599 20 0 GHADLP Cc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c(N2CCCC2)n1 ZINC000812841759 891028662 /nfs/dbraw/zinc/02/86/62/891028662.db2.gz HWKSAGJEVPWLJP-UHFFFAOYSA-N 2 2 393.579 3.815 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCOC4(CCCC4)C3)CC2)cc1 ZINC000872076397 891141548 /nfs/dbraw/zinc/14/15/48/891141548.db2.gz KUPVBOVHPRBMFG-QFIPXVFZSA-N 2 2 385.552 3.691 20 0 GHADLP C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000246413569 891230850 /nfs/dbraw/zinc/23/08/50/891230850.db2.gz QWZUIUUJRRGRLA-LQBOVUBWSA-N 2 2 393.535 3.592 20 0 GHADLP C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000246413569 891230866 /nfs/dbraw/zinc/23/08/66/891230866.db2.gz QWZUIUUJRRGRLA-LQBOVUBWSA-N 2 2 393.535 3.592 20 0 GHADLP Cc1csc2nc(C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc(=O)n12 ZINC000246993472 891330733 /nfs/dbraw/zinc/33/07/33/891330733.db2.gz HZQBSPGNOUEDFB-JXFKEZNVSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1csc2nc(C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cc(=O)n12 ZINC000246993472 891330750 /nfs/dbraw/zinc/33/07/50/891330750.db2.gz HZQBSPGNOUEDFB-JXFKEZNVSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1csc2nc(C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cc(=O)n12 ZINC000246993472 891330767 /nfs/dbraw/zinc/33/07/67/891330767.db2.gz HZQBSPGNOUEDFB-JXFKEZNVSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1csc2nc(C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cc(=O)n12 ZINC000246993472 891330783 /nfs/dbraw/zinc/33/07/83/891330783.db2.gz HZQBSPGNOUEDFB-JXFKEZNVSA-N 2 2 396.560 3.549 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247444075 891377150 /nfs/dbraw/zinc/37/71/50/891377150.db2.gz XQXMXPYWQWYXFL-CABCVRRESA-N 2 2 394.441 3.721 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247444075 891377162 /nfs/dbraw/zinc/37/71/62/891377162.db2.gz XQXMXPYWQWYXFL-CABCVRRESA-N 2 2 394.441 3.721 20 0 GHADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000873328555 891586275 /nfs/dbraw/zinc/58/62/75/891586275.db2.gz SRDWPSVQTMNENH-NRFANRHFSA-N 2 2 384.499 3.846 20 0 GHADLP CN(C(=O)/C=C/c1cccs1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124561304 891681725 /nfs/dbraw/zinc/68/17/25/891681725.db2.gz MFAONYZHRRGVDQ-WNGAPAKLSA-N 2 2 375.582 3.557 20 0 GHADLP CN(C(=O)/C=C/c1cccs1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124561304 891681733 /nfs/dbraw/zinc/68/17/33/891681733.db2.gz MFAONYZHRRGVDQ-WNGAPAKLSA-N 2 2 375.582 3.557 20 0 GHADLP Cc1c(Br)cccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000497490581 891692171 /nfs/dbraw/zinc/69/21/71/891692171.db2.gz PWNIOJUMSHDIAF-DFNIBXOVSA-N 2 2 392.385 3.500 20 0 GHADLP Cc1c(Br)cccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000497490581 891692180 /nfs/dbraw/zinc/69/21/80/891692180.db2.gz PWNIOJUMSHDIAF-DFNIBXOVSA-N 2 2 392.385 3.500 20 0 GHADLP CC(C)C[C@@H](C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)n1cc[nH+]c1 ZINC000874105385 891996257 /nfs/dbraw/zinc/99/62/57/891996257.db2.gz ORCBYBCPPHEQGX-NRFANRHFSA-N 2 2 383.540 3.639 20 0 GHADLP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000162030744 892021153 /nfs/dbraw/zinc/02/11/53/892021153.db2.gz NWZDBDCBLQOUSJ-NRFANRHFSA-N 2 2 390.474 3.917 20 0 GHADLP COc1cc(OC)c(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000508715783 892867066 /nfs/dbraw/zinc/86/70/66/892867066.db2.gz XXVCIRMUGWBDJB-IEBWSBKVSA-N 2 2 384.520 3.713 20 0 GHADLP COc1cc(OC)c(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000508715783 892867079 /nfs/dbraw/zinc/86/70/79/892867079.db2.gz XXVCIRMUGWBDJB-IEBWSBKVSA-N 2 2 384.520 3.713 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)C1 ZINC000814671474 893078000 /nfs/dbraw/zinc/07/80/00/893078000.db2.gz BVIVJOJHFWVYSU-RBUKOAKNSA-N 2 2 376.545 3.632 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)C1 ZINC000814671474 893078018 /nfs/dbraw/zinc/07/80/18/893078018.db2.gz BVIVJOJHFWVYSU-RBUKOAKNSA-N 2 2 376.545 3.632 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000428697546 893293354 /nfs/dbraw/zinc/29/33/54/893293354.db2.gz BAILTFDHTPYWPK-UHFFFAOYSA-N 2 2 397.567 3.663 20 0 GHADLP C[C@@](O)(C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(Br)cc1Cl ZINC000815060817 893400458 /nfs/dbraw/zinc/40/04/58/893400458.db2.gz UIDJBSJEZWIEHD-QGZVFWFLSA-N 2 2 398.732 3.844 20 0 GHADLP O=C(CC[NH+]1CCC(Nc2cccc[nH+]2)CC1)Nc1ccc(Cl)cc1F ZINC000563189479 893460576 /nfs/dbraw/zinc/46/05/76/893460576.db2.gz PCOCCYVFZOIKNG-UHFFFAOYSA-N 2 2 376.863 3.779 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000815101954 893472801 /nfs/dbraw/zinc/47/28/01/893472801.db2.gz DHPZLPXTELYNCW-YOEHRIQHSA-N 2 2 389.765 3.726 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000815101954 893472808 /nfs/dbraw/zinc/47/28/08/893472808.db2.gz DHPZLPXTELYNCW-YOEHRIQHSA-N 2 2 389.765 3.726 20 0 GHADLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(=O)Nc1nccs1 ZINC000556118126 893831153 /nfs/dbraw/zinc/83/11/53/893831153.db2.gz LCFPVQVNJHPOLB-CEXWTWQISA-N 2 2 386.565 3.921 20 0 GHADLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(=O)Nc1nccs1 ZINC000556118126 893831168 /nfs/dbraw/zinc/83/11/68/893831168.db2.gz LCFPVQVNJHPOLB-CEXWTWQISA-N 2 2 386.565 3.921 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2cccc3c2CC[NH2+]C3)c(C)c1 ZINC000563499210 893831341 /nfs/dbraw/zinc/83/13/41/893831341.db2.gz QPLJDTQUVUSHQX-JOCHJYFZSA-N 2 2 389.503 3.709 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]CC3Cc4ccccc4C3)CC2)cc1 ZINC000563506161 893841245 /nfs/dbraw/zinc/84/12/45/893841245.db2.gz AHMBWMKIVIZICJ-UHFFFAOYSA-N 2 2 377.532 3.614 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1OCC(F)F ZINC000536835881 893909572 /nfs/dbraw/zinc/90/95/72/893909572.db2.gz ZNPFHAHDBXHVAN-VQIMIIECSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1OCC(F)F ZINC000536835881 893909579 /nfs/dbraw/zinc/90/95/79/893909579.db2.gz ZNPFHAHDBXHVAN-VQIMIIECSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000536876414 893992153 /nfs/dbraw/zinc/99/21/53/893992153.db2.gz LMVQSMDGNRWVDC-AEFFLSMTSA-N 2 2 399.489 3.869 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000536876414 893992166 /nfs/dbraw/zinc/99/21/66/893992166.db2.gz LMVQSMDGNRWVDC-AEFFLSMTSA-N 2 2 399.489 3.869 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)CC2)cc1 ZINC000556158918 894003523 /nfs/dbraw/zinc/00/35/23/894003523.db2.gz UDYWZCNECHJBFB-PQNGQFLHSA-N 2 2 399.579 3.794 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686238632 894012970 /nfs/dbraw/zinc/01/29/70/894012970.db2.gz OQUHQNFVETWAGF-WZONZLPQSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686238632 894012986 /nfs/dbraw/zinc/01/29/86/894012986.db2.gz OQUHQNFVETWAGF-WZONZLPQSA-N 2 2 387.568 3.886 20 0 GHADLP O[C@@]1(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000537116762 894367845 /nfs/dbraw/zinc/36/78/45/894367845.db2.gz WFAHTNFGCKFYSD-IFMALSPDSA-N 2 2 386.923 3.780 20 0 GHADLP O[C@@]1(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000537116762 894367857 /nfs/dbraw/zinc/36/78/57/894367857.db2.gz WFAHTNFGCKFYSD-IFMALSPDSA-N 2 2 386.923 3.780 20 0 GHADLP CN(C(=O)CC(C)(C)CC(F)F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000879290080 894955373 /nfs/dbraw/zinc/95/53/73/894955373.db2.gz AGXPCEQADUDKMK-MSOLQXFVSA-N 2 2 387.559 3.854 20 0 GHADLP CN(C(=O)CC(C)(C)CC(F)F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000879290080 894955383 /nfs/dbraw/zinc/95/53/83/894955383.db2.gz AGXPCEQADUDKMK-MSOLQXFVSA-N 2 2 387.559 3.854 20 0 GHADLP Cn1c[nH+]cc1CCC[N@@H+]1CCOc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC000879403692 895035319 /nfs/dbraw/zinc/03/53/19/895035319.db2.gz FHTFNMGQJJMEHH-UHFFFAOYSA-N 2 2 386.496 3.594 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)c3ccc(CC[NH+](C)C)cc3)n2)CC1 ZINC000816838045 895098756 /nfs/dbraw/zinc/09/87/56/895098756.db2.gz OQIYFRWNRLTCDV-UHFFFAOYSA-N 2 2 386.565 3.731 20 0 GHADLP C[C@H]1C[C@@H](CCNC(=O)Nc2ccn3cc[nH+]c3c2)C[N@@H+]1Cc1ccccc1 ZINC000564690196 895184170 /nfs/dbraw/zinc/18/41/70/895184170.db2.gz QBIZRDFVLYKLKU-PKOBYXMFSA-N 2 2 377.492 3.757 20 0 GHADLP C[C@H]1C[C@@H](CCNC(=O)Nc2ccn3cc[nH+]c3c2)C[N@H+]1Cc1ccccc1 ZINC000564690196 895184175 /nfs/dbraw/zinc/18/41/75/895184175.db2.gz QBIZRDFVLYKLKU-PKOBYXMFSA-N 2 2 377.492 3.757 20 0 GHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000564939214 895315244 /nfs/dbraw/zinc/31/52/44/895315244.db2.gz AEYFVRHSWBDRQL-QGZVFWFLSA-N 2 2 387.553 3.671 20 0 GHADLP COc1ccc2ccccc2c1-c1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)on1 ZINC000565165796 895433508 /nfs/dbraw/zinc/43/35/08/895433508.db2.gz RMSHVYDZWHRVJZ-UHFFFAOYSA-N 2 2 389.459 3.549 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C(F)(F)F)nc1 ZINC000880099329 895512534 /nfs/dbraw/zinc/51/25/34/895512534.db2.gz CLKGNDHAZJGGID-OAHLLOKOSA-N 2 2 379.426 3.783 20 0 GHADLP CC(C)Oc1cccc([C@H](O)C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000128386844 895672888 /nfs/dbraw/zinc/67/28/88/895672888.db2.gz QFDYJBIMQZGRBY-XMMPIXPASA-N 2 2 397.563 3.832 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000565591848 895747841 /nfs/dbraw/zinc/74/78/41/895747841.db2.gz ZHNAOBQSHZOUCF-CEMLEFRQSA-N 2 2 392.609 3.934 20 0 GHADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CC[C@]4(C3)CCc3ccccc3O4)CC2)cc1 ZINC000565742787 895845589 /nfs/dbraw/zinc/84/55/89/895845589.db2.gz GOKVEKLBLFSZFO-VWLOTQADSA-N 2 2 391.559 3.668 20 0 GHADLP c1ccc(N2CC[NH+](CCC[N@H+]3CC[C@]4(C3)CCc3ccccc3O4)CC2)cc1 ZINC000565742787 895845596 /nfs/dbraw/zinc/84/55/96/895845596.db2.gz GOKVEKLBLFSZFO-VWLOTQADSA-N 2 2 391.559 3.668 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ncc(C3OCCO3)s2)cc1 ZINC000289040359 914010869 /nfs/dbraw/zinc/01/08/69/914010869.db2.gz AQDNEXROFMBDIC-INIZCTEOSA-N 2 2 387.549 3.853 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ncc(C3OCCO3)s2)cc1 ZINC000289040359 914010885 /nfs/dbraw/zinc/01/08/85/914010885.db2.gz AQDNEXROFMBDIC-INIZCTEOSA-N 2 2 387.549 3.853 20 0 GHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000566033180 896060522 /nfs/dbraw/zinc/06/05/22/896060522.db2.gz KEWGQHCNLMHNSI-GOSISDBHSA-N 2 2 383.414 3.944 20 0 GHADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000566033180 896060535 /nfs/dbraw/zinc/06/05/35/896060535.db2.gz KEWGQHCNLMHNSI-GOSISDBHSA-N 2 2 383.414 3.944 20 0 GHADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000566694591 896499164 /nfs/dbraw/zinc/49/91/64/896499164.db2.gz LRVKQGRYTAWOFE-SOUXKNCUSA-N 2 2 399.579 3.697 20 0 GHADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000566694591 896499173 /nfs/dbraw/zinc/49/91/73/896499173.db2.gz LRVKQGRYTAWOFE-SOUXKNCUSA-N 2 2 399.579 3.697 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)CC2)cc1 ZINC000567322363 897059984 /nfs/dbraw/zinc/05/99/84/897059984.db2.gz JYGNUCVTVLRULB-FGCOXFRFSA-N 2 2 399.579 3.794 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000567801687 897408520 /nfs/dbraw/zinc/40/85/20/897408520.db2.gz QKIQXCCMOABBFG-NRFANRHFSA-N 2 2 396.922 3.546 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]Cc3ccnc(-c4ccccn4)n3)CC23CC3)cc1 ZINC000883285134 897445843 /nfs/dbraw/zinc/44/58/43/897445843.db2.gz HFZINMGORAMUQA-FQEVSTJZSA-N 2 2 385.515 3.825 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccnc(-c4ccccn4)n3)CC23CC3)cc1 ZINC000883285134 897445851 /nfs/dbraw/zinc/44/58/51/897445851.db2.gz HFZINMGORAMUQA-FQEVSTJZSA-N 2 2 385.515 3.825 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883387030 897550817 /nfs/dbraw/zinc/55/08/17/897550817.db2.gz QPMDOARZDYBBRL-KURKYZTESA-N 2 2 377.435 3.581 20 0 GHADLP CCOc1c(OC)cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1OC ZINC000883398370 897560067 /nfs/dbraw/zinc/56/00/67/897560067.db2.gz LMNWITRBEIQUGQ-LJQANCHMSA-N 2 2 381.476 3.830 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cncc(Br)c1 ZINC000569259593 898479407 /nfs/dbraw/zinc/47/94/07/898479407.db2.gz GIBSKGLCFWRVID-OAHLLOKOSA-N 2 2 390.325 3.527 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000569401353 898621824 /nfs/dbraw/zinc/62/18/24/898621824.db2.gz LPJZTQIAOXYOJN-UXHICEINSA-N 2 2 391.559 3.649 20 0 GHADLP COCCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569456110 898682676 /nfs/dbraw/zinc/68/26/76/898682676.db2.gz VKJWSWKKWWLMGJ-JOCHJYFZSA-N 2 2 380.532 3.999 20 0 GHADLP COCCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569456110 898682684 /nfs/dbraw/zinc/68/26/84/898682684.db2.gz VKJWSWKKWWLMGJ-JOCHJYFZSA-N 2 2 380.532 3.999 20 0 GHADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000569769625 898940251 /nfs/dbraw/zinc/94/02/51/898940251.db2.gz NTGZWGZNETXWKA-LPHOPBHVSA-N 2 2 378.442 3.807 20 0 GHADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000569769625 898940262 /nfs/dbraw/zinc/94/02/62/898940262.db2.gz NTGZWGZNETXWKA-LPHOPBHVSA-N 2 2 378.442 3.807 20 0 GHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000569769625 898940271 /nfs/dbraw/zinc/94/02/71/898940271.db2.gz NTGZWGZNETXWKA-LPHOPBHVSA-N 2 2 378.442 3.807 20 0 GHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000569769625 898940275 /nfs/dbraw/zinc/94/02/75/898940275.db2.gz NTGZWGZNETXWKA-LPHOPBHVSA-N 2 2 378.442 3.807 20 0 GHADLP CN(C)C(=O)C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000570091754 899117691 /nfs/dbraw/zinc/11/76/91/899117691.db2.gz HUJUBCKVNFHQOG-XZOQPEGZSA-N 2 2 391.559 3.993 20 0 GHADLP CN(C)C(=O)C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000570091754 899117699 /nfs/dbraw/zinc/11/76/99/899117699.db2.gz HUJUBCKVNFHQOG-XZOQPEGZSA-N 2 2 391.559 3.993 20 0 GHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001136811945 899353558 /nfs/dbraw/zinc/35/35/58/899353558.db2.gz RYEXVADBJJTEFD-FPOVZHCZSA-N 2 2 380.536 3.528 20 0 GHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001136811945 899353570 /nfs/dbraw/zinc/35/35/70/899353570.db2.gz RYEXVADBJJTEFD-FPOVZHCZSA-N 2 2 380.536 3.528 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCCc1ccccc1 ZINC000570569519 899397189 /nfs/dbraw/zinc/39/71/89/899397189.db2.gz YDCCGPXNTRKZLF-NFBKMPQASA-N 2 2 391.559 3.521 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCCc1ccccc1 ZINC000570569519 899397204 /nfs/dbraw/zinc/39/72/04/899397204.db2.gz YDCCGPXNTRKZLF-NFBKMPQASA-N 2 2 391.559 3.521 20 0 GHADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824217045 899461694 /nfs/dbraw/zinc/46/16/94/899461694.db2.gz XMEWHBVOKQMTLJ-RTWAWAEBSA-N 2 2 382.556 3.636 20 0 GHADLP CN(C(=O)Nc1c(F)cccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000119308033 899585141 /nfs/dbraw/zinc/58/51/41/899585141.db2.gz XWMOVGURODGIMS-MOPGFXCFSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1c(F)cccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000119308033 899585149 /nfs/dbraw/zinc/58/51/49/899585149.db2.gz XWMOVGURODGIMS-MOPGFXCFSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000571010334 899713051 /nfs/dbraw/zinc/71/30/51/899713051.db2.gz ZRSGMXHUZKEGRS-MJGOQNOKSA-N 2 2 386.367 3.527 20 0 GHADLP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000824642496 899733200 /nfs/dbraw/zinc/73/32/00/899733200.db2.gz CKOFBCJXJCONNG-IRXDYDNUSA-N 2 2 390.572 3.613 20 0 GHADLP COC(=O)CCc1c(C)[nH]c(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1C ZINC001136924668 899747125 /nfs/dbraw/zinc/74/71/25/899747125.db2.gz NOMHQILRZPHIBL-UHFFFAOYSA-N 2 2 375.557 3.576 20 0 GHADLP COC(=O)CCc1c(C)[nH]c(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1C ZINC001136924668 899747138 /nfs/dbraw/zinc/74/71/38/899747138.db2.gz NOMHQILRZPHIBL-UHFFFAOYSA-N 2 2 375.557 3.576 20 0 GHADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824875584 899879756 /nfs/dbraw/zinc/87/97/56/899879756.db2.gz NDQMDFFZYBMGLU-UZLBHIALSA-N 2 2 382.556 3.636 20 0 GHADLP COC(=O)c1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)s1 ZINC000571482915 899884385 /nfs/dbraw/zinc/88/43/85/899884385.db2.gz JVMGYZAYRHTRBA-OAHLLOKOSA-N 2 2 378.563 3.859 20 0 GHADLP COC(=O)c1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)s1 ZINC000571482915 899884394 /nfs/dbraw/zinc/88/43/94/899884394.db2.gz JVMGYZAYRHTRBA-OAHLLOKOSA-N 2 2 378.563 3.859 20 0 GHADLP COC(=O)c1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)s1 ZINC000571482915 899884397 /nfs/dbraw/zinc/88/43/97/899884397.db2.gz JVMGYZAYRHTRBA-OAHLLOKOSA-N 2 2 378.563 3.859 20 0 GHADLP COC(=O)c1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)s1 ZINC000571482915 899884408 /nfs/dbraw/zinc/88/44/08/899884408.db2.gz JVMGYZAYRHTRBA-OAHLLOKOSA-N 2 2 378.563 3.859 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3c[nH]c4cccc(F)c34)CC[C@@H]21 ZINC001136982429 899955222 /nfs/dbraw/zinc/95/52/22/899955222.db2.gz BMDLRBXZHZXLOK-LZNRXBQRSA-N 2 2 395.526 3.877 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3c[nH]c4cccc(F)c34)CC[C@@H]21 ZINC001136982429 899955226 /nfs/dbraw/zinc/95/52/26/899955226.db2.gz BMDLRBXZHZXLOK-LZNRXBQRSA-N 2 2 395.526 3.877 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3c[nH]c4cccc(F)c34)CC[C@@H]21 ZINC001136982429 899955231 /nfs/dbraw/zinc/95/52/31/899955231.db2.gz BMDLRBXZHZXLOK-LZNRXBQRSA-N 2 2 395.526 3.877 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3c[nH]c4cccc(F)c34)CC[C@@H]21 ZINC001136982429 899955235 /nfs/dbraw/zinc/95/52/35/899955235.db2.gz BMDLRBXZHZXLOK-LZNRXBQRSA-N 2 2 395.526 3.877 20 0 GHADLP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333238239 900058882 /nfs/dbraw/zinc/05/88/82/900058882.db2.gz IBOVPTGKOPHPNJ-UHFFFAOYSA-N 2 2 395.551 3.875 20 0 GHADLP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333238239 900058897 /nfs/dbraw/zinc/05/88/97/900058897.db2.gz IBOVPTGKOPHPNJ-UHFFFAOYSA-N 2 2 395.551 3.875 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000825299076 900078278 /nfs/dbraw/zinc/07/82/78/900078278.db2.gz AWUMOOIXVNTMMK-INIZCTEOSA-N 2 2 376.526 3.811 20 0 GHADLP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282943230 900607964 /nfs/dbraw/zinc/60/79/64/900607964.db2.gz ZZVLLCHEZYIMCB-OAQYLSRUSA-N 2 2 392.547 3.835 20 0 GHADLP CCOc1ccc(F)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001143937957 900785455 /nfs/dbraw/zinc/78/54/55/900785455.db2.gz GTLBHKXMQWQVHR-MSOLQXFVSA-N 2 2 387.474 3.712 20 0 GHADLP CCOc1ccc(F)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001143937957 900785460 /nfs/dbraw/zinc/78/54/60/900785460.db2.gz GTLBHKXMQWQVHR-MSOLQXFVSA-N 2 2 387.474 3.712 20 0 GHADLP CCOc1ccc(F)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001143937957 900785466 /nfs/dbraw/zinc/78/54/66/900785466.db2.gz GTLBHKXMQWQVHR-MSOLQXFVSA-N 2 2 387.474 3.712 20 0 GHADLP CCOc1ccc(F)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001143937957 900785471 /nfs/dbraw/zinc/78/54/71/900785471.db2.gz GTLBHKXMQWQVHR-MSOLQXFVSA-N 2 2 387.474 3.712 20 0 GHADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(Br)cc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001144009635 900919438 /nfs/dbraw/zinc/91/94/38/900919438.db2.gz FMEPQPVYAWJXDB-OLZOCXBDSA-N 2 2 393.247 3.731 20 0 GHADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(Br)cc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001144009635 900919455 /nfs/dbraw/zinc/91/94/55/900919455.db2.gz FMEPQPVYAWJXDB-OLZOCXBDSA-N 2 2 393.247 3.731 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(Br)cc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001144009635 900919465 /nfs/dbraw/zinc/91/94/65/900919465.db2.gz FMEPQPVYAWJXDB-OLZOCXBDSA-N 2 2 393.247 3.731 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(Br)cc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001144009635 900919474 /nfs/dbraw/zinc/91/94/74/900919474.db2.gz FMEPQPVYAWJXDB-OLZOCXBDSA-N 2 2 393.247 3.731 20 0 GHADLP COC(=O)c1cncc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000886553696 901154025 /nfs/dbraw/zinc/15/40/25/901154025.db2.gz SYZKGKYEOGVANI-DYESRHJHSA-N 2 2 378.476 3.774 20 0 GHADLP C[NH+]1CCN(C2C[NH+](Cc3cccc(-c4ccc(C(F)(F)F)cc4)c3)C2)CC1 ZINC001144344875 901845255 /nfs/dbraw/zinc/84/52/55/901845255.db2.gz JMOUTPJYBIAENU-UHFFFAOYSA-N 2 2 389.465 3.804 20 0 GHADLP COC(=O)c1ccc(F)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000576316292 901940335 /nfs/dbraw/zinc/94/03/35/901940335.db2.gz LAAVOCZQXNREOE-PZJWPPBQSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(F)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000576316292 901940341 /nfs/dbraw/zinc/94/03/41/901940341.db2.gz LAAVOCZQXNREOE-PZJWPPBQSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(F)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000576316292 901940352 /nfs/dbraw/zinc/94/03/52/901940352.db2.gz LAAVOCZQXNREOE-PZJWPPBQSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(F)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000576316292 901940363 /nfs/dbraw/zinc/94/03/63/901940363.db2.gz LAAVOCZQXNREOE-PZJWPPBQSA-N 2 2 382.479 3.566 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576766713 902246203 /nfs/dbraw/zinc/24/62/03/902246203.db2.gz UQZGINDVGQPFHZ-QFIPXVFZSA-N 2 2 392.547 3.600 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576766713 902246219 /nfs/dbraw/zinc/24/62/19/902246219.db2.gz UQZGINDVGQPFHZ-QFIPXVFZSA-N 2 2 392.547 3.600 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000576989504 902412692 /nfs/dbraw/zinc/41/26/92/902412692.db2.gz IBAHPDVQGDCRPM-JOCHJYFZSA-N 2 2 377.532 3.675 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000576989504 902412703 /nfs/dbraw/zinc/41/27/03/902412703.db2.gz IBAHPDVQGDCRPM-JOCHJYFZSA-N 2 2 377.532 3.675 20 0 GHADLP COc1cc(OC)c([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Cl ZINC000133102329 903345538 /nfs/dbraw/zinc/34/55/38/903345538.db2.gz NGDKOPHCHSZWNL-GJZGRUSLSA-N 2 2 382.932 3.509 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC001146890451 903630702 /nfs/dbraw/zinc/63/07/02/903630702.db2.gz ICOSQQWDWXILAW-UHFFFAOYSA-N 2 2 389.927 3.746 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC001146890451 903630709 /nfs/dbraw/zinc/63/07/09/903630709.db2.gz ICOSQQWDWXILAW-UHFFFAOYSA-N 2 2 389.927 3.746 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171371295 904377151 /nfs/dbraw/zinc/37/71/51/904377151.db2.gz OOFBYPWOLMZZQZ-DENIHFKCSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171371295 904377164 /nfs/dbraw/zinc/37/71/64/904377164.db2.gz OOFBYPWOLMZZQZ-DENIHFKCSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171371295 904377176 /nfs/dbraw/zinc/37/71/76/904377176.db2.gz OOFBYPWOLMZZQZ-DENIHFKCSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171371295 904377185 /nfs/dbraw/zinc/37/71/85/904377185.db2.gz OOFBYPWOLMZZQZ-DENIHFKCSA-N 2 2 378.507 3.645 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cn2c3cc(F)ccc3oc2=O)CC1 ZINC000773308702 904701284 /nfs/dbraw/zinc/70/12/84/904701284.db2.gz INNUBKRGKXCCPG-MRXNPFEDSA-N 2 2 375.488 3.668 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cn2c3cc(F)ccc3oc2=O)CC1 ZINC000773308702 904701292 /nfs/dbraw/zinc/70/12/92/904701292.db2.gz INNUBKRGKXCCPG-MRXNPFEDSA-N 2 2 375.488 3.668 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)cs1 ZINC001171455049 904719097 /nfs/dbraw/zinc/71/90/97/904719097.db2.gz ZERVEEHNDOCCKO-OAHLLOKOSA-N 2 2 397.560 3.863 20 0 GHADLP Cc1cccc2c1CC[C@H]([NH+]1CCC3(CC1)C[N@H+](Cc1ccoc1)CCO3)C2 ZINC001171566471 904831385 /nfs/dbraw/zinc/83/13/85/904831385.db2.gz IMWPIZRZUQANIK-QFIPXVFZSA-N 2 2 380.532 3.812 20 0 GHADLP Cc1cccc2c1CC[C@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccoc1)CCO3)C2 ZINC001171566471 904831402 /nfs/dbraw/zinc/83/14/02/904831402.db2.gz IMWPIZRZUQANIK-QFIPXVFZSA-N 2 2 380.532 3.812 20 0 GHADLP C[NH+]1C(C)(C)CC([NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)CC1(C)C ZINC001171638357 904927927 /nfs/dbraw/zinc/92/79/27/904927927.db2.gz UKSAGTVSCOLZRL-UHFFFAOYSA-N 2 2 385.600 3.810 20 0 GHADLP C[NH+]1C(C)(C)CC([N@@H+]2CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171640334 904930627 /nfs/dbraw/zinc/93/06/27/904930627.db2.gz CZBYQYWULWCTBM-OAHLLOKOSA-N 2 2 389.531 3.872 20 0 GHADLP C[NH+]1C(C)(C)CC([N@H+]2CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171640334 904930636 /nfs/dbraw/zinc/93/06/36/904930636.db2.gz CZBYQYWULWCTBM-OAHLLOKOSA-N 2 2 389.531 3.872 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171753954 904985996 /nfs/dbraw/zinc/98/59/96/904985996.db2.gz YUWQWAZIVBVSHY-PSWRPDDJSA-N 2 2 381.589 3.775 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171753954 904986006 /nfs/dbraw/zinc/98/60/06/904986006.db2.gz YUWQWAZIVBVSHY-PSWRPDDJSA-N 2 2 381.589 3.775 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171753954 904986013 /nfs/dbraw/zinc/98/60/13/904986013.db2.gz YUWQWAZIVBVSHY-PSWRPDDJSA-N 2 2 381.589 3.775 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171753954 904986018 /nfs/dbraw/zinc/98/60/18/904986018.db2.gz YUWQWAZIVBVSHY-PSWRPDDJSA-N 2 2 381.589 3.775 20 0 GHADLP CC[N@H+](C[C@@H](O)c1ccc(F)c(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108894 905043129 /nfs/dbraw/zinc/04/31/29/905043129.db2.gz LOGSBJNZCJJKKY-HXUWFJFHSA-N 2 2 375.463 3.632 20 0 GHADLP CC[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108894 905043146 /nfs/dbraw/zinc/04/31/46/905043146.db2.gz LOGSBJNZCJJKKY-HXUWFJFHSA-N 2 2 375.463 3.632 20 0 GHADLP CCOC(=O)C1(C)CCC([N@@H+]2CC[C@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001171953907 905160903 /nfs/dbraw/zinc/16/09/03/905160903.db2.gz XHWSREVXVVFFIH-RAJLDSNDSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)C1(C)CCC([N@H+]2CC[C@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001171953907 905160909 /nfs/dbraw/zinc/16/09/09/905160909.db2.gz XHWSREVXVVFFIH-RAJLDSNDSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)C1(C)CCC([NH+]2CC[C@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)CC1 ZINC001171953907 905160916 /nfs/dbraw/zinc/16/09/16/905160916.db2.gz XHWSREVXVVFFIH-RAJLDSNDSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)C1(C)CCC([NH+]2CC[C@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001171953907 905160921 /nfs/dbraw/zinc/16/09/21/905160921.db2.gz XHWSREVXVVFFIH-RAJLDSNDSA-N 2 2 391.581 3.551 20 0 GHADLP CC1(C)C[C@@H](N2CC[NH+](Cc3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171981513 905235702 /nfs/dbraw/zinc/23/57/02/905235702.db2.gz MLWCUAGWLWAQMW-QHCPKHFHSA-N 2 2 378.564 3.642 20 0 GHADLP CC1(C)C[C@@H](N2CC[NH+](Cc3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171981513 905235719 /nfs/dbraw/zinc/23/57/19/905235719.db2.gz MLWCUAGWLWAQMW-QHCPKHFHSA-N 2 2 378.564 3.642 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000174301600 905250453 /nfs/dbraw/zinc/25/04/53/905250453.db2.gz BHLOPUQYNWGHEC-GOSISDBHSA-N 2 2 397.519 3.506 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001172072959 905279369 /nfs/dbraw/zinc/27/93/69/905279369.db2.gz OAYHKPWBTVFSKM-DKUWSORSSA-N 2 2 393.531 3.934 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172072959 905279386 /nfs/dbraw/zinc/27/93/86/905279386.db2.gz OAYHKPWBTVFSKM-DKUWSORSSA-N 2 2 393.531 3.934 20 0 GHADLP CCCNC(=O)[C@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172073845 905279741 /nfs/dbraw/zinc/27/97/41/905279741.db2.gz CYUXDTDMDOXORC-WZYRSQIMSA-N 2 2 383.580 3.953 20 0 GHADLP CCCNC(=O)[C@H]1CCCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172073845 905279758 /nfs/dbraw/zinc/27/97/58/905279758.db2.gz CYUXDTDMDOXORC-WZYRSQIMSA-N 2 2 383.580 3.953 20 0 GHADLP CCCNC(=O)[C@H]1CCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172073845 905279771 /nfs/dbraw/zinc/27/97/71/905279771.db2.gz CYUXDTDMDOXORC-WZYRSQIMSA-N 2 2 383.580 3.953 20 0 GHADLP CCCNC(=O)[C@H]1CCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073845 905279786 /nfs/dbraw/zinc/27/97/86/905279786.db2.gz CYUXDTDMDOXORC-WZYRSQIMSA-N 2 2 383.580 3.953 20 0 GHADLP CC[NH+](CC)CCN1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172076567 905287483 /nfs/dbraw/zinc/28/74/83/905287483.db2.gz FZIISOKTNCWIQJ-QEIWAGNOSA-N 3 2 398.639 3.532 20 0 GHADLP CC[NH+](CC)CCN1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076567 905287501 /nfs/dbraw/zinc/28/75/01/905287501.db2.gz FZIISOKTNCWIQJ-QEIWAGNOSA-N 3 2 398.639 3.532 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001172087109 905303029 /nfs/dbraw/zinc/30/30/29/905303029.db2.gz FQSUIALBAQFPRO-LWYYNNOASA-N 2 2 377.573 3.771 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001172087109 905303042 /nfs/dbraw/zinc/30/30/42/905303042.db2.gz FQSUIALBAQFPRO-LWYYNNOASA-N 2 2 377.573 3.771 20 0 GHADLP COC(=O)c1ccnc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172066339 905332145 /nfs/dbraw/zinc/33/21/45/905332145.db2.gz VSIDCLGZJGOYTO-MMVMTREESA-N 2 2 379.504 3.544 20 0 GHADLP COC(=O)c1ccnc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172066339 905332163 /nfs/dbraw/zinc/33/21/63/905332163.db2.gz VSIDCLGZJGOYTO-MMVMTREESA-N 2 2 379.504 3.544 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC(c3[nH+]cn4cc(Br)ccc34)C1)C2 ZINC001172128602 905340686 /nfs/dbraw/zinc/34/06/86/905340686.db2.gz SQZMWAWQQNFHCS-BJWYYQGGSA-N 2 2 389.341 3.511 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC(c3[nH+]cn4cc(Br)ccc34)C1)C2 ZINC001172128602 905340716 /nfs/dbraw/zinc/34/07/16/905340716.db2.gz SQZMWAWQQNFHCS-BJWYYQGGSA-N 2 2 389.341 3.511 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(c3ncn4cc(Br)ccc34)C1)C2 ZINC001172128602 905340749 /nfs/dbraw/zinc/34/07/49/905340749.db2.gz SQZMWAWQQNFHCS-BJWYYQGGSA-N 2 2 389.341 3.511 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(c3ncn4cc(Br)ccc34)C1)C2 ZINC001172128602 905340783 /nfs/dbraw/zinc/34/07/83/905340783.db2.gz SQZMWAWQQNFHCS-BJWYYQGGSA-N 2 2 389.341 3.511 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001172213739 905415764 /nfs/dbraw/zinc/41/57/64/905415764.db2.gz QVUAWEHJLZTBSV-UHFFFAOYSA-N 2 2 378.944 3.719 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001172213739 905415771 /nfs/dbraw/zinc/41/57/71/905415771.db2.gz QVUAWEHJLZTBSV-UHFFFAOYSA-N 2 2 378.944 3.719 20 0 GHADLP CCC[N@H+]([C@H](C)C(=O)Nc1ccccc1C)C1CC[NH+](CCCOC)CC1 ZINC001172253461 905448927 /nfs/dbraw/zinc/44/89/27/905448927.db2.gz QCYHCSJYGZNIAL-LJQANCHMSA-N 2 2 375.557 3.535 20 0 GHADLP CCC[N@@H+]([C@H](C)C(=O)Nc1ccccc1C)C1CC[NH+](CCCOC)CC1 ZINC001172253461 905448934 /nfs/dbraw/zinc/44/89/34/905448934.db2.gz QCYHCSJYGZNIAL-LJQANCHMSA-N 2 2 375.557 3.535 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@@H](n3cc[nH+]c3[C@@H]3CCC[NH2+]C3)CC[C@H]2C1 ZINC001172532619 905594023 /nfs/dbraw/zinc/59/40/23/905594023.db2.gz UQNOQJYZEQIGMU-LRSLUSHPSA-N 2 2 392.547 3.854 20 0 GHADLP c1ccc([C@@H]2CCC[C@H]([NH+]3CCN(c4cc[nH+]c(N5CCCC5)n4)CC3)C2)cc1 ZINC001172548820 905652766 /nfs/dbraw/zinc/65/27/66/905652766.db2.gz JNBNERXLAWUGIO-YADHBBJMSA-N 2 2 391.563 3.925 20 0 GHADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001172960325 906068296 /nfs/dbraw/zinc/06/82/96/906068296.db2.gz VFMQBUWVHOOGIU-INIZCTEOSA-N 2 2 379.520 3.721 20 0 GHADLP [NH3+]Cc1cccc(-c2c[nH+]cn2C2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC001172996810 906072128 /nfs/dbraw/zinc/07/21/28/906072128.db2.gz GGGXAEVYDWZIJI-UHFFFAOYSA-N 2 2 378.451 3.625 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-n3ccnc3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000177263776 906080406 /nfs/dbraw/zinc/08/04/06/906080406.db2.gz CUVDSFXVYNTONQ-SIKLNZKXSA-N 2 2 375.520 3.752 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-n3ccnc3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000177263776 906080417 /nfs/dbraw/zinc/08/04/17/906080417.db2.gz CUVDSFXVYNTONQ-SIKLNZKXSA-N 2 2 375.520 3.752 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-n3ccnc3)nc2)CC[NH+]1Cc1ccccc1 ZINC000177263776 906080428 /nfs/dbraw/zinc/08/04/28/906080428.db2.gz CUVDSFXVYNTONQ-SIKLNZKXSA-N 2 2 375.520 3.752 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3ccnc3)nc2)CC[NH+]1Cc1ccccc1 ZINC000177263776 906080438 /nfs/dbraw/zinc/08/04/38/906080438.db2.gz CUVDSFXVYNTONQ-SIKLNZKXSA-N 2 2 375.520 3.752 20 0 GHADLP C[C@H]1CC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001173057921 906131918 /nfs/dbraw/zinc/13/19/18/906131918.db2.gz GGBBLANKCCZHGL-CADBVGFASA-N 2 2 388.556 3.946 20 0 GHADLP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001173075694 906171201 /nfs/dbraw/zinc/17/12/01/906171201.db2.gz MASRSKPGSHAATN-HNNXBMFYSA-N 2 2 379.426 3.861 20 0 GHADLP c1ccc(OC2CCC([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC001173197552 906283489 /nfs/dbraw/zinc/28/34/89/906283489.db2.gz HWFUUSQGOAMSEP-UHFFFAOYSA-N 2 2 380.532 3.999 20 0 GHADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173663480 906601930 /nfs/dbraw/zinc/60/19/30/906601930.db2.gz GGBSHLJQFHCYTC-UHFFFAOYSA-N 2 2 387.465 3.715 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1nc2ccc(Cl)cc2n1C ZINC000179979157 906648731 /nfs/dbraw/zinc/64/87/31/906648731.db2.gz WKWZPACITMDXDH-MRXNPFEDSA-N 2 2 398.938 3.910 20 0 GHADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000629528344 906857130 /nfs/dbraw/zinc/85/71/30/906857130.db2.gz WUFONENOOFOYQT-LEWSCRJBSA-N 2 2 377.838 3.806 20 0 GHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629654930 906932818 /nfs/dbraw/zinc/93/28/18/906932818.db2.gz JUVLKEBXHJFFHG-KSSFIOAISA-N 2 2 384.421 3.587 20 0 GHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629654930 906932833 /nfs/dbraw/zinc/93/28/33/906932833.db2.gz JUVLKEBXHJFFHG-KSSFIOAISA-N 2 2 384.421 3.587 20 0 GHADLP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000182250377 907169137 /nfs/dbraw/zinc/16/91/37/907169137.db2.gz VHTMLKHWMJNASX-NOZRDPDXSA-N 2 2 387.527 3.918 20 0 GHADLP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000182250377 907169144 /nfs/dbraw/zinc/16/91/44/907169144.db2.gz VHTMLKHWMJNASX-NOZRDPDXSA-N 2 2 387.527 3.918 20 0 GHADLP FC(F)(F)c1cccc(OCCC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC001175070732 907366321 /nfs/dbraw/zinc/36/63/21/907366321.db2.gz XOHNMVRJMALPLY-UHFFFAOYSA-N 2 2 386.458 3.661 20 0 GHADLP FC(F)(F)c1cccc(OCCC[NH+]2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC001175070732 907366335 /nfs/dbraw/zinc/36/63/35/907366335.db2.gz XOHNMVRJMALPLY-UHFFFAOYSA-N 2 2 386.458 3.661 20 0 GHADLP C[C@H](C[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1)NC(=O)OC(C)(C)C ZINC001175381084 907528263 /nfs/dbraw/zinc/52/82/63/907528263.db2.gz DJJKKVHOJBAIHS-LEOXJPRUSA-N 2 2 387.568 3.744 20 0 GHADLP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(OC)c1OC ZINC000631569549 907761131 /nfs/dbraw/zinc/76/11/31/907761131.db2.gz KIQMSSZKDIIHBG-OAQYLSRUSA-N 2 2 384.520 3.777 20 0 GHADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001176281698 908012299 /nfs/dbraw/zinc/01/22/99/908012299.db2.gz OWFXISWNXZQVQE-JOCHJYFZSA-N 3 2 392.591 3.937 20 0 GHADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001176281698 908012315 /nfs/dbraw/zinc/01/23/15/908012315.db2.gz OWFXISWNXZQVQE-JOCHJYFZSA-N 3 2 392.591 3.937 20 0 GHADLP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000187243462 908060591 /nfs/dbraw/zinc/06/05/91/908060591.db2.gz VEVQTFOEPCCYKH-UHFFFAOYSA-N 2 2 398.931 3.624 20 0 GHADLP C[NH+](C)CCn1cc(Nc2cccc3c2[C@H]2Cc4ccccc4C[N@@H+]2CC3)cn1 ZINC001176448283 908113732 /nfs/dbraw/zinc/11/37/32/908113732.db2.gz DGWRCVXEWJDAOV-HSZRJFAPSA-N 2 2 387.531 3.844 20 0 GHADLP C[NH+](C)CCn1cc(Nc2cccc3c2[C@H]2Cc4ccccc4C[N@H+]2CC3)cn1 ZINC001176448283 908113738 /nfs/dbraw/zinc/11/37/38/908113738.db2.gz DGWRCVXEWJDAOV-HSZRJFAPSA-N 2 2 387.531 3.844 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001176620907 908187230 /nfs/dbraw/zinc/18/72/30/908187230.db2.gz WDJIYFUSVLSZNO-INIZCTEOSA-N 2 2 387.409 3.979 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001176620907 908187234 /nfs/dbraw/zinc/18/72/34/908187234.db2.gz WDJIYFUSVLSZNO-INIZCTEOSA-N 2 2 387.409 3.979 20 0 GHADLP CCOc1cc(F)cc(C[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC001177161669 908439302 /nfs/dbraw/zinc/43/93/02/908439302.db2.gz DZLGEKBUXVKNER-UHFFFAOYSA-N 2 2 385.527 3.835 20 0 GHADLP Brc1cccc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CCOCC2)c1 ZINC000191484806 908630959 /nfs/dbraw/zinc/63/09/59/908630959.db2.gz PKERPJHLCVAKDB-GOSISDBHSA-N 2 2 378.314 3.793 20 0 GHADLP CC(C)C[C@@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)n1cc[nH+]c1 ZINC000635443248 909250585 /nfs/dbraw/zinc/25/05/85/909250585.db2.gz FUSHGUNUFGNROG-QFIPXVFZSA-N 2 2 380.536 3.520 20 0 GHADLP CC(C)C[C@@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)n1cc[nH+]c1 ZINC000635443248 909250600 /nfs/dbraw/zinc/25/06/00/909250600.db2.gz FUSHGUNUFGNROG-QFIPXVFZSA-N 2 2 380.536 3.520 20 0 GHADLP C[N@@H+]1CC[C@H](CC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000635498447 909273458 /nfs/dbraw/zinc/27/34/58/909273458.db2.gz DVKIKGNAVKBSOE-HXUWFJFHSA-N 2 2 388.515 3.556 20 0 GHADLP C[N@H+]1CC[C@H](CC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000635498447 909273468 /nfs/dbraw/zinc/27/34/68/909273468.db2.gz DVKIKGNAVKBSOE-HXUWFJFHSA-N 2 2 388.515 3.556 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)c2)cs1 ZINC000266784342 909300504 /nfs/dbraw/zinc/30/05/04/909300504.db2.gz VUOSKBQOXSZULW-UHFFFAOYSA-N 2 2 381.505 3.660 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(C)c1Br ZINC001179914188 909832461 /nfs/dbraw/zinc/83/24/61/909832461.db2.gz SSQULQDWFUTWAO-APWZRJJASA-N 2 2 394.401 3.524 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(C)c1Br ZINC001179914188 909832471 /nfs/dbraw/zinc/83/24/71/909832471.db2.gz SSQULQDWFUTWAO-APWZRJJASA-N 2 2 394.401 3.524 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000268480167 909899180 /nfs/dbraw/zinc/89/91/80/909899180.db2.gz JDEDAJDHCDOVGZ-UHFFFAOYSA-N 2 2 384.524 3.668 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cnc2ccsc2c1 ZINC000268796692 910022649 /nfs/dbraw/zinc/02/26/49/910022649.db2.gz GFBASNITNKZFOW-INIZCTEOSA-N 2 2 394.544 3.535 20 0 GHADLP Cc1nc2ccccc2nc1C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000638567669 910195490 /nfs/dbraw/zinc/19/54/90/910195490.db2.gz QGFZBUBAMBCCRO-INIZCTEOSA-N 2 2 393.510 3.680 20 0 GHADLP FC(F)(F)Cn1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638762826 910226716 /nfs/dbraw/zinc/22/67/16/910226716.db2.gz KUCIKCUIWONOFA-PKOBYXMFSA-N 2 2 378.442 3.903 20 0 GHADLP FC(F)(F)Cn1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638762826 910226728 /nfs/dbraw/zinc/22/67/28/910226728.db2.gz KUCIKCUIWONOFA-PKOBYXMFSA-N 2 2 378.442 3.903 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccccc2OCCCCO)CC1 ZINC000638788696 910236611 /nfs/dbraw/zinc/23/66/11/910236611.db2.gz QDWROOZNAAHMNK-IBGZPJMESA-N 2 2 383.536 3.548 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCCN1c1cccnc1 ZINC000639038588 910295111 /nfs/dbraw/zinc/29/51/11/910295111.db2.gz LQDLXZKRQPOTDE-PMOQBDJRSA-N 2 2 390.531 3.535 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCCN1c1cccnc1 ZINC000639038588 910295124 /nfs/dbraw/zinc/29/51/24/910295124.db2.gz LQDLXZKRQPOTDE-PMOQBDJRSA-N 2 2 390.531 3.535 20 0 GHADLP COc1cc(Br)ccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001181074659 910547240 /nfs/dbraw/zinc/54/72/40/910547240.db2.gz VCSVCKRCUMDMRC-UHFFFAOYSA-N 2 2 376.298 3.611 20 0 GHADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC001181244315 910625289 /nfs/dbraw/zinc/62/52/89/910625289.db2.gz PDSKBJWUHVNNON-RTBURBONSA-N 2 2 397.563 3.696 20 0 GHADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC001181244315 910625297 /nfs/dbraw/zinc/62/52/97/910625297.db2.gz PDSKBJWUHVNNON-RTBURBONSA-N 2 2 397.563 3.696 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(F)c(C(F)(F)F)c3)CC2)CC1 ZINC000271231295 910826082 /nfs/dbraw/zinc/82/60/82/910826082.db2.gz UMPHVZBBYQLIDY-UHFFFAOYSA-N 2 2 387.465 3.835 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(Br)ccc1F ZINC000271561509 910959847 /nfs/dbraw/zinc/95/98/47/910959847.db2.gz WYXJZPNLYUNOSZ-JBBXEZCESA-N 2 2 385.321 3.617 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2)cn1 ZINC000274097360 911221432 /nfs/dbraw/zinc/22/14/32/911221432.db2.gz YXMDDOXZPAFNFF-LJQANCHMSA-N 2 2 386.459 3.963 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)cn1 ZINC000274097360 911221442 /nfs/dbraw/zinc/22/14/42/911221442.db2.gz YXMDDOXZPAFNFF-LJQANCHMSA-N 2 2 386.459 3.963 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C[NH3+])c1ccccc1Cl ZINC001182223167 911317554 /nfs/dbraw/zinc/31/75/54/911317554.db2.gz QSUGVMZVANHWHC-GHTZIAJQSA-N 2 2 385.939 3.635 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774437044 911744388 /nfs/dbraw/zinc/74/43/88/911744388.db2.gz LFKDYJNOTUSJEZ-XOBRGWDASA-N 2 2 394.346 3.863 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774437044 911744395 /nfs/dbraw/zinc/74/43/95/911744395.db2.gz LFKDYJNOTUSJEZ-XOBRGWDASA-N 2 2 394.346 3.863 20 0 GHADLP Cc1c([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nnn1-c1ccccc1 ZINC000647343880 915162664 /nfs/dbraw/zinc/16/26/64/915162664.db2.gz FFGPWYAOCZKJLK-WEYGHZABSA-N 2 2 375.520 3.572 20 0 GHADLP Cc1c([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)nnn1-c1ccccc1 ZINC000647343880 915162670 /nfs/dbraw/zinc/16/26/70/915162670.db2.gz FFGPWYAOCZKJLK-WEYGHZABSA-N 2 2 375.520 3.572 20 0 GHADLP Cc1nc(NCCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(C)c(C)[nH+]1 ZINC001187551076 915347143 /nfs/dbraw/zinc/34/71/43/915347143.db2.gz SJAMNLFTPTXJOX-UHFFFAOYSA-N 2 2 391.560 3.537 20 0 GHADLP CCCc1nc(C)c(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)o1 ZINC000291814027 915375635 /nfs/dbraw/zinc/37/56/35/915375635.db2.gz YNUVQOVVDGCRQJ-UHFFFAOYSA-N 2 2 376.932 3.631 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1cccc2ccccc21 ZINC000647902064 915432514 /nfs/dbraw/zinc/43/25/14/915432514.db2.gz ZIRNOIWBRQGDKF-DSXMGRQXSA-N 2 2 379.548 3.870 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1cccc2ccccc21 ZINC000647902064 915432519 /nfs/dbraw/zinc/43/25/19/915432519.db2.gz ZIRNOIWBRQGDKF-DSXMGRQXSA-N 2 2 379.548 3.870 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](CC)C3)cs2)cc1OC ZINC000647940120 915444305 /nfs/dbraw/zinc/44/43/05/915444305.db2.gz NDMBPWYFPPVFOP-RHSMWYFYSA-N 2 2 375.538 3.777 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H]([NH3+])[C@H](CC)C3)cs2)cc1OC ZINC000647940120 915444307 /nfs/dbraw/zinc/44/43/07/915444307.db2.gz NDMBPWYFPPVFOP-RHSMWYFYSA-N 2 2 375.538 3.777 20 0 GHADLP Cc1ccc(-c2nn(C)cc2C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)o1 ZINC000648004462 915473126 /nfs/dbraw/zinc/47/31/26/915473126.db2.gz JGIAFKMDPHAKIO-UHFFFAOYSA-N 2 2 393.535 3.522 20 0 GHADLP Cc1ccc(-c2nn(C)cc2C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)o1 ZINC000648004462 915473141 /nfs/dbraw/zinc/47/31/41/915473141.db2.gz JGIAFKMDPHAKIO-UHFFFAOYSA-N 2 2 393.535 3.522 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)cn1 ZINC000292018091 915475466 /nfs/dbraw/zinc/47/54/66/915475466.db2.gz CAHJGMGCCNTMBQ-UTKZUKDTSA-N 2 2 380.467 3.972 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162055 915529202 /nfs/dbraw/zinc/52/92/02/915529202.db2.gz FFURACHNFOQGRH-RCCFBDPRSA-N 2 2 396.293 3.694 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162055 915529208 /nfs/dbraw/zinc/52/92/08/915529208.db2.gz FFURACHNFOQGRH-RCCFBDPRSA-N 2 2 396.293 3.694 20 0 GHADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2cc3cc(Cl)cnc3o2)c2ccccc2)CC1 ZINC000648399967 915679690 /nfs/dbraw/zinc/67/96/90/915679690.db2.gz KHSDJJVXFGIZSJ-FQEVSTJZSA-N 2 2 384.911 3.560 20 0 GHADLP CSC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000543777750 915866946 /nfs/dbraw/zinc/86/69/46/915866946.db2.gz YMEAVUDIRXJFGS-KRWDZBQOSA-N 2 2 376.488 3.546 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000648899984 915929822 /nfs/dbraw/zinc/92/98/22/915929822.db2.gz DZKDYYRVJQCGCN-IEBWSBKVSA-N 2 2 380.492 3.637 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000648910452 915936554 /nfs/dbraw/zinc/93/65/54/915936554.db2.gz BCWDKEBIIRZSMP-KRWDZBQOSA-N 2 2 389.503 3.993 20 0 GHADLP c1nc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)sc1C1OCCO1 ZINC000293793327 916386268 /nfs/dbraw/zinc/38/62/68/916386268.db2.gz CQJVYSNDIKWKNM-UHFFFAOYSA-N 2 2 399.560 3.677 20 0 GHADLP c1nc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)sc1C1OCCO1 ZINC000293793327 916386288 /nfs/dbraw/zinc/38/62/88/916386288.db2.gz CQJVYSNDIKWKNM-UHFFFAOYSA-N 2 2 399.560 3.677 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccc(F)c3Br)CC2)CC1 ZINC000294644605 916908372 /nfs/dbraw/zinc/90/83/72/916908372.db2.gz BDSOQRFEEVVVHY-UHFFFAOYSA-N 2 2 398.364 3.579 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000650416406 916970112 /nfs/dbraw/zinc/97/01/12/916970112.db2.gz FRQBQDJQJDANEG-KRWDZBQOSA-N 2 2 399.564 3.629 20 0 GHADLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1C ZINC001190643430 917471415 /nfs/dbraw/zinc/47/14/15/917471415.db2.gz LPUMSIBYPJDVIF-HSZRJFAPSA-N 2 2 378.564 3.733 20 0 GHADLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1C ZINC001190643430 917471421 /nfs/dbraw/zinc/47/14/21/917471421.db2.gz LPUMSIBYPJDVIF-HSZRJFAPSA-N 2 2 378.564 3.733 20 0 GHADLP CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000651427031 917606078 /nfs/dbraw/zinc/60/60/78/917606078.db2.gz YUISTGIPWWEKRU-ZRBLBEILSA-N 2 2 398.572 3.623 20 0 GHADLP CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000651427031 917606086 /nfs/dbraw/zinc/60/60/86/917606086.db2.gz YUISTGIPWWEKRU-ZRBLBEILSA-N 2 2 398.572 3.623 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654023542 918705235 /nfs/dbraw/zinc/70/52/35/918705235.db2.gz YZABJZLHIAYBIQ-RTWAWAEBSA-N 2 2 391.519 3.740 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654023542 918705244 /nfs/dbraw/zinc/70/52/44/918705244.db2.gz YZABJZLHIAYBIQ-RTWAWAEBSA-N 2 2 391.519 3.740 20 0 GHADLP CC[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1F ZINC000654463389 919136496 /nfs/dbraw/zinc/13/64/96/919136496.db2.gz NRAWBYUDBIXNOA-HXUWFJFHSA-N 2 2 390.547 3.526 20 0 GHADLP Cc1csc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCn2cc[nH+]c2)C3)c1Cl ZINC001275918563 919621634 /nfs/dbraw/zinc/62/16/34/919621634.db2.gz JMEXXJJCRILHDJ-IBGZPJMESA-N 2 2 392.956 3.564 20 0 GHADLP Cc1csc(C[N@H+]2CCCC[C@@]23CC(=O)N(CCn2cc[nH+]c2)C3)c1Cl ZINC001275918563 919621644 /nfs/dbraw/zinc/62/16/44/919621644.db2.gz JMEXXJJCRILHDJ-IBGZPJMESA-N 2 2 392.956 3.564 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)C2 ZINC000364557388 919638495 /nfs/dbraw/zinc/63/84/95/919638495.db2.gz ARLWSNHXLQSWPN-MRXNPFEDSA-N 2 2 395.551 3.783 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)CC2 ZINC000364557388 919638501 /nfs/dbraw/zinc/63/85/01/919638501.db2.gz ARLWSNHXLQSWPN-MRXNPFEDSA-N 2 2 395.551 3.783 20 0 GHADLP CC[N@H+](Cc1cn(C(C)(C)C)nn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365244812 920559429 /nfs/dbraw/zinc/55/94/29/920559429.db2.gz UELMOKIDOQPNKZ-UHFFFAOYSA-N 2 2 399.587 3.746 20 0 GHADLP CC[N@@H+](Cc1cn(C(C)(C)C)nn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365244812 920559461 /nfs/dbraw/zinc/55/94/61/920559461.db2.gz UELMOKIDOQPNKZ-UHFFFAOYSA-N 2 2 399.587 3.746 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccsc1 ZINC000365252967 920571204 /nfs/dbraw/zinc/57/12/04/920571204.db2.gz XNJQBYWQFFOQGO-GOSISDBHSA-N 2 2 389.569 3.505 20 0 GHADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccncc2OC[C@@H]2CCOC2)CC1 ZINC000367579733 922211992 /nfs/dbraw/zinc/21/19/92/922211992.db2.gz HMGKJHFUAJZRIJ-WOIUINJBSA-N 2 2 387.568 3.630 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3c[nH]c(=O)c4ccccc34)CC2)cc1 ZINC000903231012 922871213 /nfs/dbraw/zinc/87/12/13/922871213.db2.gz ICSGEQNRUSABAQ-UHFFFAOYSA-N 2 2 376.504 3.765 20 0 GHADLP Cc1c(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc2ccccn12 ZINC001137272463 924146921 /nfs/dbraw/zinc/14/69/21/924146921.db2.gz VXPKFCAROCBZOD-XKCSPQBFSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1c(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc2ccccn12 ZINC001137272463 924146926 /nfs/dbraw/zinc/14/69/26/924146926.db2.gz VXPKFCAROCBZOD-XKCSPQBFSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)nc2ccccn12 ZINC001137272463 924146933 /nfs/dbraw/zinc/14/69/33/924146933.db2.gz VXPKFCAROCBZOD-XKCSPQBFSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)nc2ccccn12 ZINC001137272463 924146938 /nfs/dbraw/zinc/14/69/38/924146938.db2.gz VXPKFCAROCBZOD-XKCSPQBFSA-N 2 2 389.547 3.770 20 0 GHADLP CC1(C)C[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000677803871 924504151 /nfs/dbraw/zinc/50/41/51/924504151.db2.gz AHNYWTKOXJFNIS-FQEVSTJZSA-N 2 2 381.520 3.527 20 0 GHADLP CC1(C)C[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C[N@H+]1Cc1ccccc1 ZINC000677803871 924504153 /nfs/dbraw/zinc/50/41/53/924504153.db2.gz AHNYWTKOXJFNIS-FQEVSTJZSA-N 2 2 381.520 3.527 20 0 GHADLP FC(F)Oc1cccc(Cl)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000678224026 924674406 /nfs/dbraw/zinc/67/44/06/924674406.db2.gz QDDHDSFQMKFIRS-UHFFFAOYSA-N 2 2 388.886 3.876 20 0 GHADLP CC(C)(C)C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000678927953 924975527 /nfs/dbraw/zinc/97/55/27/924975527.db2.gz NMUSCBRQJPOAMX-RTWAWAEBSA-N 2 2 394.003 3.813 20 0 GHADLP O[C@H]([C@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000678992129 924992793 /nfs/dbraw/zinc/99/27/93/924992793.db2.gz CANDQKRJRUFGQC-LEWJYISDSA-N 2 2 392.465 3.775 20 0 GHADLP COc1ccc2oc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)c(C)c2c1 ZINC000680416751 925471753 /nfs/dbraw/zinc/47/17/53/925471753.db2.gz AWODZUBGYMRFPA-IEBWSBKVSA-N 2 2 382.504 3.893 20 0 GHADLP COc1ccc2oc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)c(C)c2c1 ZINC000680416751 925471761 /nfs/dbraw/zinc/47/17/61/925471761.db2.gz AWODZUBGYMRFPA-IEBWSBKVSA-N 2 2 382.504 3.893 20 0 GHADLP Cc1ccc(N2CCC(C(=O)N[C@H](C)[C@@H](c3ccccc3C)[NH+](C)C)CC2)[nH+]c1 ZINC000682396079 926098373 /nfs/dbraw/zinc/09/83/73/926098373.db2.gz MJNFKVVCIGHQLW-XXBNENTESA-N 2 2 394.563 3.722 20 0 GHADLP CC(CC[NH+]1CCO[C@@H](c2ccco2)C1)CC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000411321889 926301562 /nfs/dbraw/zinc/30/15/62/926301562.db2.gz CZYRZJDYOZZETB-FGZHOGPDSA-N 2 2 388.508 3.736 20 0 GHADLP CC(CC[NH+]1CCO[C@@H](c2ccco2)C1)CC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000411321889 926301573 /nfs/dbraw/zinc/30/15/73/926301573.db2.gz CZYRZJDYOZZETB-FGZHOGPDSA-N 2 2 388.508 3.736 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000382527808 926353711 /nfs/dbraw/zinc/35/37/11/926353711.db2.gz IAIFBDNCKXHVOW-IPMKNSEASA-N 2 2 376.545 3.821 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(OCc3nccn3C)cc1)CCC2 ZINC000374572996 927299814 /nfs/dbraw/zinc/29/98/14/927299814.db2.gz AKWVTIXSPUWFFL-MJGOQNOKSA-N 2 2 379.508 3.732 20 0 GHADLP CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(C)[nH+]c3N(C)C)c(C)c2)CC1 ZINC000750404404 927607132 /nfs/dbraw/zinc/60/71/32/927607132.db2.gz UNUKKCALRIJWRL-UHFFFAOYSA-N 2 2 396.539 3.550 20 0 GHADLP C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000543989161 928654521 /nfs/dbraw/zinc/65/45/21/928654521.db2.gz XHOYSLOWEHHRQQ-VQTJNVASSA-N 2 2 382.552 3.684 20 0 GHADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc2c(c1)CCCC2 ZINC000467140355 928747791 /nfs/dbraw/zinc/74/77/91/928747791.db2.gz XFGLZTMTENWIBM-IAGOWNOFSA-N 2 2 380.536 3.734 20 0 GHADLP CCOc1c(Br)cc(C[N@H+](C)CCC[NH+]2CCCC2)cc1OC ZINC000467512444 929145116 /nfs/dbraw/zinc/14/51/16/929145116.db2.gz OZWNUTUWQOEZCW-UHFFFAOYSA-N 2 2 385.346 3.774 20 0 GHADLP CCOc1c(Br)cc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1OC ZINC000467512444 929145121 /nfs/dbraw/zinc/14/51/21/929145121.db2.gz OZWNUTUWQOEZCW-UHFFFAOYSA-N 2 2 385.346 3.774 20 0 GHADLP CCOC(=O)c1csc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000720045113 929150158 /nfs/dbraw/zinc/15/01/58/929150158.db2.gz QNFWLSURPVVWFH-UHFFFAOYSA-N 2 2 387.549 3.664 20 0 GHADLP CCOC(=O)c1csc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000720045113 929150166 /nfs/dbraw/zinc/15/01/66/929150166.db2.gz QNFWLSURPVVWFH-UHFFFAOYSA-N 2 2 387.549 3.664 20 0 GHADLP CC[C@@]1(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CCC[NH2+]1 ZINC000467709289 929324116 /nfs/dbraw/zinc/32/41/16/929324116.db2.gz SIGANFXCUJAVMW-DEOSSOPVSA-N 2 2 388.515 3.747 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000545912907 929668980 /nfs/dbraw/zinc/66/89/80/929668980.db2.gz WKXNCJIHVVNBPD-KRWDZBQOSA-N 2 2 385.335 3.988 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2Oc2cccc(C)c2)CC1 ZINC000545916950 929673899 /nfs/dbraw/zinc/67/38/99/929673899.db2.gz XJGUPKBAPNEOOD-YADHBBJMSA-N 2 2 388.552 3.692 20 0 GHADLP Cc1cccc(NCCNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)[nH+]1 ZINC000469598077 930017021 /nfs/dbraw/zinc/01/70/21/930017021.db2.gz CCJYWRVHXHJYIN-UHFFFAOYSA-N 2 2 388.515 3.621 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccccc2C(C)(C)C)[C@@H](C)C1 ZINC000469789736 930163940 /nfs/dbraw/zinc/16/39/40/930163940.db2.gz FXMPZZCKAWMRPT-ICSRJNTNSA-N 2 2 389.584 3.649 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccccc2C(C)(C)C)[C@@H](C)C1 ZINC000469789736 930163943 /nfs/dbraw/zinc/16/39/43/930163943.db2.gz FXMPZZCKAWMRPT-ICSRJNTNSA-N 2 2 389.584 3.649 20 0 GHADLP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C(=O)N1c1ccccc1 ZINC000781518408 930876282 /nfs/dbraw/zinc/87/62/82/930876282.db2.gz JYVWHFRPZODTKX-MBSDFSHPSA-N 2 2 392.547 3.505 20 0 GHADLP COCCn1c(C)c(C)n(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1=S ZINC000782943598 931370315 /nfs/dbraw/zinc/37/03/15/931370315.db2.gz WXDXMUDUNRGBSB-UHFFFAOYSA-N 2 2 391.585 3.629 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCc2c1nccc2Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000924963889 931596329 /nfs/dbraw/zinc/59/63/29/931596329.db2.gz MYOVXNCQIHNFBI-IFXJQAMLSA-N 2 2 388.918 3.964 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000783727719 931633368 /nfs/dbraw/zinc/63/33/68/931633368.db2.gz DVEKTIPXMMQOSY-BGYRXZFFSA-N 2 2 397.523 3.550 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000783727719 931633372 /nfs/dbraw/zinc/63/33/72/931633372.db2.gz DVEKTIPXMMQOSY-BGYRXZFFSA-N 2 2 397.523 3.550 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000925180651 931692893 /nfs/dbraw/zinc/69/28/93/931692893.db2.gz RMNQRONAFZJTDF-SXLOBPIMSA-N 2 2 398.551 3.987 20 0 GHADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[NH2+]CC3(CCOCC3)C1)CCS2 ZINC000925794746 931905670 /nfs/dbraw/zinc/90/56/70/931905670.db2.gz IXDVWZDIPYENQE-HOCLYGCPSA-N 2 2 397.382 3.734 20 0 GHADLP CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000784487996 931911984 /nfs/dbraw/zinc/91/19/84/931911984.db2.gz QSRGEGAYLXQGRD-FQEVSTJZSA-N 2 2 382.533 3.503 20 0 GHADLP CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000784487998 931912115 /nfs/dbraw/zinc/91/21/15/931912115.db2.gz QSRGEGAYLXQGRD-HXUWFJFHSA-N 2 2 382.533 3.503 20 0 GHADLP COc1c(C)cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000796779638 932064608 /nfs/dbraw/zinc/06/46/08/932064608.db2.gz QBTOEDUUNJELLS-VGOFRKELSA-N 2 2 388.939 3.945 20 0 GHADLP COc1c(C)cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000796779638 932064614 /nfs/dbraw/zinc/06/46/14/932064614.db2.gz QBTOEDUUNJELLS-VGOFRKELSA-N 2 2 388.939 3.945 20 0 GHADLP Cc1cc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc(Cl)n1 ZINC000797592010 932337553 /nfs/dbraw/zinc/33/75/53/932337553.db2.gz KOODGNWFZQMXMU-UHFFFAOYSA-N 3 2 378.992 3.672 20 0 GHADLP Cc1cc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc(Cl)n1 ZINC000797592010 932337562 /nfs/dbraw/zinc/33/75/62/932337562.db2.gz KOODGNWFZQMXMU-UHFFFAOYSA-N 3 2 378.992 3.672 20 0 GHADLP COc1ncc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1Cl ZINC000560249092 933155034 /nfs/dbraw/zinc/15/50/34/933155034.db2.gz FVHOXXBUTCJQGN-KRWDZBQOSA-N 2 2 388.943 3.607 20 0 GHADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)c1 ZINC001116020778 933286469 /nfs/dbraw/zinc/28/64/69/933286469.db2.gz UGRGWDHPNITPLY-QFIPXVFZSA-N 2 2 380.536 3.917 20 0 GHADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)c1 ZINC001116020778 933286486 /nfs/dbraw/zinc/28/64/86/933286486.db2.gz UGRGWDHPNITPLY-QFIPXVFZSA-N 2 2 380.536 3.917 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000560524743 933310897 /nfs/dbraw/zinc/31/08/97/933310897.db2.gz NCVQGMREPWFRAF-UHFFFAOYSA-N 3 2 387.612 3.909 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000560524743 933310911 /nfs/dbraw/zinc/31/09/11/933310911.db2.gz NCVQGMREPWFRAF-UHFFFAOYSA-N 3 2 387.612 3.909 20 0 GHADLP COc1ccc(Cl)cc1NCCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001116061687 933312642 /nfs/dbraw/zinc/31/26/42/933312642.db2.gz MLXVLOQJQRQKIJ-UHFFFAOYSA-N 2 2 385.855 3.678 20 0 GHADLP CC(C)(C)n1ncnc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000560535674 933321079 /nfs/dbraw/zinc/32/10/79/933321079.db2.gz IATKCMKMZHCHJZ-PWRODBHTSA-N 2 2 381.568 3.814 20 0 GHADLP CC(C)(C)n1ncnc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000560535674 933321089 /nfs/dbraw/zinc/32/10/89/933321089.db2.gz IATKCMKMZHCHJZ-PWRODBHTSA-N 2 2 381.568 3.814 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000560548402 933333501 /nfs/dbraw/zinc/33/35/01/933333501.db2.gz HLZTYNQLUHIWLK-JPYJTQIMSA-N 2 2 375.520 3.829 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000560548402 933333512 /nfs/dbraw/zinc/33/35/12/933333512.db2.gz HLZTYNQLUHIWLK-JPYJTQIMSA-N 2 2 375.520 3.829 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC001116603071 933657984 /nfs/dbraw/zinc/65/79/84/933657984.db2.gz IXQZNXNCAZTYLW-FQEVSTJZSA-N 2 2 376.504 3.849 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC001116603071 933657991 /nfs/dbraw/zinc/65/79/91/933657991.db2.gz IXQZNXNCAZTYLW-FQEVSTJZSA-N 2 2 376.504 3.849 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC001118304945 934131610 /nfs/dbraw/zinc/13/16/10/934131610.db2.gz FYDMBOLCUHTIJX-JKSUJKDBSA-N 2 2 399.495 3.598 20 0 GHADLP COc1cccc(C[NH+]2CCC([NH2+]C[C@H](O)c3ccc(F)cc3Cl)CC2)c1 ZINC001120468847 934466586 /nfs/dbraw/zinc/46/65/86/934466586.db2.gz OEAOWBWVHLNGFW-NRFANRHFSA-N 2 2 392.902 3.775 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000562047191 934657458 /nfs/dbraw/zinc/65/74/58/934657458.db2.gz PLOGTFCYIOTREO-VXKWHMMOSA-N 2 2 382.458 3.994 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2cccc4ncccc24)CC3)n1 ZINC001137626830 935641197 /nfs/dbraw/zinc/64/11/97/935641197.db2.gz XKFOTUKCVLZHTN-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2cccc4ncccc24)CC3)n1 ZINC001137626830 935641198 /nfs/dbraw/zinc/64/11/98/935641198.db2.gz XKFOTUKCVLZHTN-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)OC(C)(C)C ZINC000830463067 935950401 /nfs/dbraw/zinc/95/04/01/935950401.db2.gz GQSYRJXKZHCPCH-FQEVSTJZSA-N 2 2 384.524 3.706 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)OC(C)(C)C ZINC000830463067 935950404 /nfs/dbraw/zinc/95/04/04/935950404.db2.gz GQSYRJXKZHCPCH-FQEVSTJZSA-N 2 2 384.524 3.706 20 0 GHADLP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000468898180 1016185545 /nfs/dbraw/zinc/18/55/45/1016185545.db2.gz ISXXIRMKWJITGB-QZTJIDSGSA-N 2 2 384.524 3.645 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)([NH+]2CCCCC2)CC1 ZINC000469488504 1016577115 /nfs/dbraw/zinc/57/71/15/1016577115.db2.gz TUTXJFZROOPZCH-HZPDHXFCSA-N 2 2 396.000 3.572 20 0 GHADLP Cn1c[nH+]cc1-c1cccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CC[NH2+]CC2)c1 ZINC001221041989 1032250178 /nfs/dbraw/zinc/25/01/78/1032250178.db2.gz CBRIZNWJICGLEI-QFIPXVFZSA-N 2 2 392.478 3.697 20 0 GHADLP Cc1nc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc(C(C)C)[nH+]1 ZINC001155359182 1032518303 /nfs/dbraw/zinc/51/83/03/1032518303.db2.gz XZODBIJNGQZNQP-NRFANRHFSA-N 3 2 393.579 3.822 20 0 GHADLP Cc1nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc(C(C)C)[nH+]1 ZINC001155359182 1032518311 /nfs/dbraw/zinc/51/83/11/1032518311.db2.gz XZODBIJNGQZNQP-NRFANRHFSA-N 3 2 393.579 3.822 20 0 GHADLP Cc1ccc([C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000925844783 1017159797 /nfs/dbraw/zinc/15/97/97/1017159797.db2.gz IWLHODUCGFSHEF-DNVJHFABSA-N 2 2 398.572 3.610 20 0 GHADLP Brc1ccc(C[N@H+](CCCc2cccnc2)CCn2cc[nH+]c2)o1 ZINC000930447523 1017837437 /nfs/dbraw/zinc/83/74/37/1017837437.db2.gz ZTWQOWJDYHGOGJ-UHFFFAOYSA-N 2 2 389.297 3.769 20 0 GHADLP Brc1ccc(C[N@@H+](CCCc2cccnc2)CCn2cc[nH+]c2)o1 ZINC000930447523 1017837447 /nfs/dbraw/zinc/83/74/47/1017837447.db2.gz ZTWQOWJDYHGOGJ-UHFFFAOYSA-N 2 2 389.297 3.769 20 0 GHADLP C[NH+](C)[C@@H](C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)c1ccc(Cl)cc1 ZINC000565159992 1019170244 /nfs/dbraw/zinc/17/02/44/1019170244.db2.gz AVAAPBAZWKGBSF-RBUKOAKNSA-N 2 2 387.911 3.967 20 0 GHADLP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000566383375 1019224845 /nfs/dbraw/zinc/22/48/45/1019224845.db2.gz HBYLTXIBJJXBCU-GOSISDBHSA-N 2 2 391.519 3.998 20 0 GHADLP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000566383375 1019224851 /nfs/dbraw/zinc/22/48/51/1019224851.db2.gz HBYLTXIBJJXBCU-GOSISDBHSA-N 2 2 391.519 3.998 20 0 GHADLP Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)c1 ZINC000567990691 1019363844 /nfs/dbraw/zinc/36/38/44/1019363844.db2.gz WYTOTDLHICMFOC-YTQUADARSA-N 2 2 398.576 3.500 20 0 GHADLP Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)c1 ZINC000567990691 1019363852 /nfs/dbraw/zinc/36/38/52/1019363852.db2.gz WYTOTDLHICMFOC-YTQUADARSA-N 2 2 398.576 3.500 20 0 GHADLP C[NH+](C)C1(CNC(F)(F)c2ccc3ccc(Cl)nc3c2)CC[NH+](C)CC1 ZINC001156181926 1032915022 /nfs/dbraw/zinc/91/50/22/1032915022.db2.gz JBACRZKNMXWPOI-UHFFFAOYSA-N 2 2 382.886 3.553 20 0 GHADLP CC(C)(C)OC(=O)NC(C)(C)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800527981 1021314246 /nfs/dbraw/zinc/31/42/46/1021314246.db2.gz GIMWMRRSCVEIKZ-MRXNPFEDSA-N 2 2 376.545 3.702 20 0 GHADLP CC(C)(C)OC(=O)NC(C)(C)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800527981 1021314263 /nfs/dbraw/zinc/31/42/63/1021314263.db2.gz GIMWMRRSCVEIKZ-MRXNPFEDSA-N 2 2 376.545 3.702 20 0 GHADLP Cc1ccc2n[nH]c(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001140330597 1021422304 /nfs/dbraw/zinc/42/23/04/1021422304.db2.gz GWRFRCYGPORMFE-NSXLHWASSA-N 2 2 389.547 3.999 20 0 GHADLP Cc1ccc2n[nH]c(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001140330597 1021422308 /nfs/dbraw/zinc/42/23/08/1021422308.db2.gz GWRFRCYGPORMFE-NSXLHWASSA-N 2 2 389.547 3.999 20 0 GHADLP Cc1ccc2n[nH]c(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001140330597 1021422311 /nfs/dbraw/zinc/42/23/11/1021422311.db2.gz GWRFRCYGPORMFE-NSXLHWASSA-N 2 2 389.547 3.999 20 0 GHADLP Cc1ccc2n[nH]c(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001140330597 1021422313 /nfs/dbraw/zinc/42/23/13/1021422313.db2.gz GWRFRCYGPORMFE-NSXLHWASSA-N 2 2 389.547 3.999 20 0 GHADLP CC[N@H+](CCC[NH+](C)C)Cc1cn(C(=O)OC(C)(C)C)c2cccc(O)c12 ZINC001140361635 1021495786 /nfs/dbraw/zinc/49/57/86/1021495786.db2.gz DUCSUMGSUKTSDU-UHFFFAOYSA-N 2 2 375.513 3.904 20 0 GHADLP CC[N@@H+](CCC[NH+](C)C)Cc1cn(C(=O)OC(C)(C)C)c2cccc(O)c12 ZINC001140361635 1021495792 /nfs/dbraw/zinc/49/57/92/1021495792.db2.gz DUCSUMGSUKTSDU-UHFFFAOYSA-N 2 2 375.513 3.904 20 0 GHADLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(C(F)(F)F)cn1 ZINC000902790783 1021540632 /nfs/dbraw/zinc/54/06/32/1021540632.db2.gz RXZOBRWJOHNEGO-UZLBHIALSA-N 2 2 392.469 3.740 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000749132892 1021751476 /nfs/dbraw/zinc/75/14/76/1021751476.db2.gz VIHMKHICQXGFDG-IBGZPJMESA-N 2 2 384.524 3.693 20 0 GHADLP Brc1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1-n1cc[nH+]c1 ZINC001204743013 1033059608 /nfs/dbraw/zinc/05/96/08/1033059608.db2.gz XHGDUOOMGXCUSM-UHFFFAOYSA-N 3 2 389.341 3.600 20 0 GHADLP Brc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1-n1cc[nH+]c1 ZINC001204743013 1033059619 /nfs/dbraw/zinc/05/96/19/1033059619.db2.gz XHGDUOOMGXCUSM-UHFFFAOYSA-N 3 2 389.341 3.600 20 0 GHADLP Oc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC001140788273 1022530869 /nfs/dbraw/zinc/53/08/69/1022530869.db2.gz BDIQVHYCOBLLOX-UHFFFAOYSA-N 2 2 376.884 3.506 20 0 GHADLP Oc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC001140788273 1022530878 /nfs/dbraw/zinc/53/08/78/1022530878.db2.gz BDIQVHYCOBLLOX-UHFFFAOYSA-N 2 2 376.884 3.506 20 0 GHADLP Cc1cc(Br)c(F)cc1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001140793275 1022543203 /nfs/dbraw/zinc/54/32/03/1022543203.db2.gz PBJLOOOEPMZNDG-UHFFFAOYSA-N 2 2 384.293 3.527 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c(Cl)c1 ZINC001140819735 1022624585 /nfs/dbraw/zinc/62/45/85/1022624585.db2.gz HZCWOIASFCXGHJ-UHFFFAOYSA-N 2 2 390.911 3.809 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c(Cl)c1 ZINC001140819735 1022624592 /nfs/dbraw/zinc/62/45/92/1022624592.db2.gz HZCWOIASFCXGHJ-UHFFFAOYSA-N 2 2 390.911 3.809 20 0 GHADLP Cc1cc(OC(F)(F)F)ccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140962359 1023015881 /nfs/dbraw/zinc/01/58/81/1023015881.db2.gz JFGUKLCDFAOWOL-ROUUACIJSA-N 2 2 391.437 3.852 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)CC1 ZINC001204818255 1033106829 /nfs/dbraw/zinc/10/68/29/1033106829.db2.gz ZFTJYGJVRSTUNH-UHFFFAOYSA-N 2 2 396.478 3.528 20 0 GHADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001228806239 1033108442 /nfs/dbraw/zinc/10/84/42/1033108442.db2.gz MZWFGPRZVUTUBQ-HHMVEJHFSA-N 2 2 398.595 3.538 20 0 GHADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141043716 1023373333 /nfs/dbraw/zinc/37/33/33/1023373333.db2.gz IOJWEDSDXDFQAD-UHFFFAOYSA-N 3 2 375.520 3.606 20 0 GHADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141043716 1023373344 /nfs/dbraw/zinc/37/33/44/1023373344.db2.gz IOJWEDSDXDFQAD-UHFFFAOYSA-N 3 2 375.520 3.606 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000755790301 1023380838 /nfs/dbraw/zinc/38/08/38/1023380838.db2.gz JMCXTUQYSJWWBI-CQSZACIVSA-N 2 2 391.306 3.741 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000755790301 1023380847 /nfs/dbraw/zinc/38/08/47/1023380847.db2.gz JMCXTUQYSJWWBI-CQSZACIVSA-N 2 2 391.306 3.741 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccncc2NC(=O)OC(C)(C)C)C1 ZINC001141088798 1023462969 /nfs/dbraw/zinc/46/29/69/1023462969.db2.gz VGLJPIZYSHUJNA-QGZVFWFLSA-N 2 2 384.480 3.785 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccncc2NC(=O)OC(C)(C)C)C1 ZINC001141088798 1023462978 /nfs/dbraw/zinc/46/29/78/1023462978.db2.gz VGLJPIZYSHUJNA-QGZVFWFLSA-N 2 2 384.480 3.785 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)cn1 ZINC000756098247 1023521298 /nfs/dbraw/zinc/52/12/98/1023521298.db2.gz GJXWIHZAUXOCIF-UHFFFAOYSA-N 2 2 394.479 3.608 20 0 GHADLP C[C@H]([NH2+]Cc1cc(Br)cnc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001205007677 1033205615 /nfs/dbraw/zinc/20/56/15/1033205615.db2.gz MEUZNEMCRPQKRZ-GOEBONIOSA-N 2 2 392.316 3.983 20 0 GHADLP C[C@H]([NH2+]Cc1cc(Br)cnc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001205007677 1033205634 /nfs/dbraw/zinc/20/56/34/1033205634.db2.gz MEUZNEMCRPQKRZ-GOEBONIOSA-N 2 2 392.316 3.983 20 0 GHADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138373484 1024739092 /nfs/dbraw/zinc/73/90/92/1024739092.db2.gz AXZSVUORYHZKMM-WTOYTKOKSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138373484 1024739103 /nfs/dbraw/zinc/73/91/03/1024739103.db2.gz AXZSVUORYHZKMM-WTOYTKOKSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)cc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138373484 1024739113 /nfs/dbraw/zinc/73/91/13/1024739113.db2.gz AXZSVUORYHZKMM-WTOYTKOKSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)cc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138373484 1024739118 /nfs/dbraw/zinc/73/91/18/1024739118.db2.gz AXZSVUORYHZKMM-WTOYTKOKSA-N 2 2 383.511 3.962 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3[nH]c4ccccc4c3C)CC2)C1 ZINC001138398470 1024776288 /nfs/dbraw/zinc/77/62/88/1024776288.db2.gz XNMFNTVRZPISSU-SFHVURJKSA-N 2 2 383.536 3.716 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3[nH]c4ccccc4c3C)CC2)C1 ZINC001138398470 1024776302 /nfs/dbraw/zinc/77/63/02/1024776302.db2.gz XNMFNTVRZPISSU-SFHVURJKSA-N 2 2 383.536 3.716 20 0 GHADLP CCOc1ccc2ccccc2c1C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001138443375 1024860101 /nfs/dbraw/zinc/86/01/01/1024860101.db2.gz ASEKTJHJDXEALU-UHFFFAOYSA-N 2 2 376.504 3.968 20 0 GHADLP CCCCc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](CCOC)C3)s1 ZINC001138753099 1025298682 /nfs/dbraw/zinc/29/86/82/1025298682.db2.gz HDVZLTOVDLKFPF-OAQYLSRUSA-N 2 2 380.598 3.652 20 0 GHADLP CCCCc1ccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](CCOC)C3)s1 ZINC001138753099 1025298699 /nfs/dbraw/zinc/29/86/99/1025298699.db2.gz HDVZLTOVDLKFPF-OAQYLSRUSA-N 2 2 380.598 3.652 20 0 GHADLP CCCCc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](CCOC)C3)s1 ZINC001138753099 1025298712 /nfs/dbraw/zinc/29/87/12/1025298712.db2.gz HDVZLTOVDLKFPF-OAQYLSRUSA-N 2 2 380.598 3.652 20 0 GHADLP CCCCc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](CCOC)C3)s1 ZINC001138753099 1025298729 /nfs/dbraw/zinc/29/87/29/1025298729.db2.gz HDVZLTOVDLKFPF-OAQYLSRUSA-N 2 2 380.598 3.652 20 0 GHADLP C[NH+](C)CC1CC[NH+](Cc2cc(Br)c(Br)o2)CC1 ZINC001138876720 1025507568 /nfs/dbraw/zinc/50/75/68/1025507568.db2.gz JORUYBFCJOPFCY-UHFFFAOYSA-N 2 2 380.124 3.578 20 0 GHADLP COc1ccc([C@@H](CNc2nc3ccccc3n3c[nH+]cc23)[NH+](C)C)cc1OC ZINC001161941805 1025507567 /nfs/dbraw/zinc/50/75/67/1025507567.db2.gz QVLKETRYIZFHTG-GOSISDBHSA-N 2 2 391.475 3.615 20 0 GHADLP Clc1cc(-c2cc[nH+]c(NCC3(c4cccnc4)CC[NH2+]CC3)c2)ccn1 ZINC001162036472 1025553516 /nfs/dbraw/zinc/55/35/16/1025553516.db2.gz LQJJNYQMSZHGHL-UHFFFAOYSA-N 2 2 379.895 3.925 20 0 GHADLP CCOC(=O)Cc1cc[nH+]c(N[C@@H](CC2CC[NH2+]CC2)c2ccccc2F)c1 ZINC001162237527 1025685763 /nfs/dbraw/zinc/68/57/63/1025685763.db2.gz NUISXJXSJLVLFR-FQEVSTJZSA-N 2 2 385.483 3.869 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2C1 ZINC000839186386 1025700927 /nfs/dbraw/zinc/70/09/27/1025700927.db2.gz LGAOSLDVJAGOOI-SLFFLAALSA-N 2 2 396.535 3.998 20 0 GHADLP CC(C)(C)[N@@H+]1CCc2nc(NC(=O)Cc3ccc(-n4cc[nH+]c4)cc3)sc2C1 ZINC001162509582 1025775928 /nfs/dbraw/zinc/77/59/28/1025775928.db2.gz BMLQFKUMYWZRPC-UHFFFAOYSA-N 2 2 395.532 3.667 20 0 GHADLP CC(C)(C)[N@H+]1CCc2nc(NC(=O)Cc3ccc(-n4cc[nH+]c4)cc3)sc2C1 ZINC001162509582 1025775935 /nfs/dbraw/zinc/77/59/35/1025775935.db2.gz BMLQFKUMYWZRPC-UHFFFAOYSA-N 2 2 395.532 3.667 20 0 GHADLP COc1ccccc1S[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001139059856 1025847958 /nfs/dbraw/zinc/84/79/58/1025847958.db2.gz JOMNJRHWSAYGSL-OAQYLSRUSA-N 2 2 398.572 3.894 20 0 GHADLP COc1ccccc1S[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001139059856 1025847980 /nfs/dbraw/zinc/84/79/80/1025847980.db2.gz JOMNJRHWSAYGSL-OAQYLSRUSA-N 2 2 398.572 3.894 20 0 GHADLP COC[C@@H](C)[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1cccc(OC)c1 ZINC001139059176 1025849887 /nfs/dbraw/zinc/84/98/87/1025849887.db2.gz NXNJBBYUYBVOCR-HXUWFJFHSA-N 2 2 398.547 3.565 20 0 GHADLP COC[C@@H](C)[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1cccc(OC)c1 ZINC001139059176 1025849907 /nfs/dbraw/zinc/84/99/07/1025849907.db2.gz NXNJBBYUYBVOCR-HXUWFJFHSA-N 2 2 398.547 3.565 20 0 GHADLP CCc1nc(-n2c3ccccc3c(CC[NH3+])c2CC(=O)OC(C)(C)C)cc(C)[nH+]1 ZINC001162680754 1025869984 /nfs/dbraw/zinc/86/99/84/1025869984.db2.gz YOELBTGHRZTHLC-UHFFFAOYSA-N 2 2 394.519 3.677 20 0 GHADLP Cc1nc(-n2c3ccccc3c(CC[NH3+])c2CC(=O)OC(C)(C)C)c(C)c(C)[nH+]1 ZINC001162680422 1025870370 /nfs/dbraw/zinc/87/03/70/1025870370.db2.gz RJDCLMQJFQYHCM-UHFFFAOYSA-N 2 2 394.519 3.731 20 0 GHADLP Cc1cccc2[nH]cc(C[NH+]3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)c21 ZINC001139196811 1026039642 /nfs/dbraw/zinc/03/96/42/1026039642.db2.gz XVFZAEVPYAMVEV-UHFFFAOYSA-N 2 2 376.504 3.743 20 0 GHADLP Cc1[nH]c(-c2cccc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)c2)[nH+]c1C ZINC000839572677 1026069840 /nfs/dbraw/zinc/06/98/40/1026069840.db2.gz HRANTEADANWHFM-LJQANCHMSA-N 2 2 384.549 3.850 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CC1 ZINC001139356146 1026228125 /nfs/dbraw/zinc/22/81/25/1026228125.db2.gz FPZXIZXSMJLNST-UHFFFAOYSA-N 2 2 382.508 3.705 20 0 GHADLP CC(C)(C)OC(=O)N1CC(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C1 ZINC001139356740 1026228930 /nfs/dbraw/zinc/22/89/30/1026228930.db2.gz SGFRWDASIUZRLM-UHFFFAOYSA-N 2 2 396.535 3.951 20 0 GHADLP O=C1C[C@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CN1c1cccc(F)c1 ZINC001139360494 1026233065 /nfs/dbraw/zinc/23/30/65/1026233065.db2.gz XUTZKGZQWXXYLU-QHCPKHFHSA-N 2 2 390.462 3.640 20 0 GHADLP O=C1C[C@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CN1c1cccc(F)c1 ZINC001139360494 1026233083 /nfs/dbraw/zinc/23/30/83/1026233083.db2.gz XUTZKGZQWXXYLU-QHCPKHFHSA-N 2 2 390.462 3.640 20 0 GHADLP COC(=O)c1ccc(OC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC001139360078 1026233154 /nfs/dbraw/zinc/23/31/54/1026233154.db2.gz HRFSDOKOVOQZMG-UHFFFAOYSA-N 2 2 391.471 3.702 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CCC(Oc4cnc5ccccc5n4)CC3)cc2)c[nH+]1 ZINC001139361731 1026235905 /nfs/dbraw/zinc/23/59/05/1026235905.db2.gz XOORXBRXUDCBDV-UHFFFAOYSA-N 2 2 385.471 3.859 20 0 GHADLP Clc1ccnc(Cl)c1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001139475884 1026338625 /nfs/dbraw/zinc/33/86/25/1026338625.db2.gz CSUCIFLTTNEJOA-UHFFFAOYSA-N 2 2 396.318 3.848 20 0 GHADLP Clc1ccnc(Cl)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001139475884 1026338637 /nfs/dbraw/zinc/33/86/37/1026338637.db2.gz CSUCIFLTTNEJOA-UHFFFAOYSA-N 2 2 396.318 3.848 20 0 GHADLP CC(C)OC1C[NH+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001139515993 1026372810 /nfs/dbraw/zinc/37/28/10/1026372810.db2.gz PEIHUIKFTZBQQI-UHFFFAOYSA-N 2 2 379.548 3.618 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccccc3C(F)F)CC[C@@H]21 ZINC001139798287 1026622075 /nfs/dbraw/zinc/62/20/75/1026622075.db2.gz NTNDJGMEFQTKDW-HBFSDRIKSA-N 2 2 389.494 3.589 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccccc3C(F)F)CC[C@@H]21 ZINC001139798287 1026622078 /nfs/dbraw/zinc/62/20/78/1026622078.db2.gz NTNDJGMEFQTKDW-HBFSDRIKSA-N 2 2 389.494 3.589 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccccc3C(F)F)CC[C@@H]21 ZINC001139798287 1026622081 /nfs/dbraw/zinc/62/20/81/1026622081.db2.gz NTNDJGMEFQTKDW-HBFSDRIKSA-N 2 2 389.494 3.589 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccccc3C(F)F)CC[C@@H]21 ZINC001139798287 1026622091 /nfs/dbraw/zinc/62/20/91/1026622091.db2.gz NTNDJGMEFQTKDW-HBFSDRIKSA-N 2 2 389.494 3.589 20 0 GHADLP Cc1ccc(C(F)(F)F)cc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001139885356 1026700798 /nfs/dbraw/zinc/70/07/98/1026700798.db2.gz JSXYOCSWHTVUDN-QZTJIDSGSA-N 2 2 375.438 3.973 20 0 GHADLP Brc1cccc2c([C@H]3CN(c4[nH+]ccc5[nH]ccc54)CCO3)[nH+]cn21 ZINC001165318271 1026703134 /nfs/dbraw/zinc/70/31/34/1026703134.db2.gz IIHXWELAHDJNNG-OAHLLOKOSA-N 2 2 398.264 3.551 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(F)c4ccccc34)CC2)C1 ZINC001139893297 1026708509 /nfs/dbraw/zinc/70/85/09/1026708509.db2.gz OGHQHNHYXSXDSR-GOSISDBHSA-N 2 2 384.495 3.828 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(F)c4ccccc34)CC2)C1 ZINC001139893297 1026708513 /nfs/dbraw/zinc/70/85/13/1026708513.db2.gz OGHQHNHYXSXDSR-GOSISDBHSA-N 2 2 384.495 3.828 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cc4ccccc4cn2)CC3)cn1 ZINC001139997371 1026785524 /nfs/dbraw/zinc/78/55/24/1026785524.db2.gz FKMYSSUKWMAUBN-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cc4ccccc4cn2)CC3)cn1 ZINC001139997371 1026785534 /nfs/dbraw/zinc/78/55/34/1026785534.db2.gz FKMYSSUKWMAUBN-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc(O)cc4F)CC3)C2)cc1 ZINC001140126268 1026903702 /nfs/dbraw/zinc/90/37/02/1026903702.db2.gz SKMNTDVSUKCCCM-UHFFFAOYSA-N 2 2 384.495 3.707 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(O)cc4F)CC3)C2)cc1 ZINC001140126268 1026903708 /nfs/dbraw/zinc/90/37/08/1026903708.db2.gz SKMNTDVSUKCCCM-UHFFFAOYSA-N 2 2 384.495 3.707 20 0 GHADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001140216245 1026992878 /nfs/dbraw/zinc/99/28/78/1026992878.db2.gz BLJRQRAGLWTUQD-UHFFFAOYSA-N 2 2 398.498 3.508 20 0 GHADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001140216245 1026992882 /nfs/dbraw/zinc/99/28/82/1026992882.db2.gz BLJRQRAGLWTUQD-UHFFFAOYSA-N 2 2 398.498 3.508 20 0 GHADLP c1cc(-c2ccc3c(C4CN(c5nc(N6CCCC6)cc[nH+]5)C4)[nH+]cn3c2)co1 ZINC001166495794 1027015118 /nfs/dbraw/zinc/01/51/18/1027015118.db2.gz UJKDNQHWTROMOY-UHFFFAOYSA-N 2 2 386.459 3.588 20 0 GHADLP Nc1cc[nH+]cc1C[NH+]1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1 ZINC001209730745 1027126611 /nfs/dbraw/zinc/12/66/11/1027126611.db2.gz OQGBKLJSGZGPCZ-UHFFFAOYSA-N 2 2 384.487 3.583 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccccc2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001203319427 1027271709 /nfs/dbraw/zinc/27/17/09/1027271709.db2.gz XKCOIMNZZSAONI-UHFFFAOYSA-N 2 2 387.568 3.982 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001203319427 1027271721 /nfs/dbraw/zinc/27/17/21/1027271721.db2.gz XKCOIMNZZSAONI-UHFFFAOYSA-N 2 2 387.568 3.982 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(OC)c1 ZINC001203479566 1027370128 /nfs/dbraw/zinc/37/01/28/1027370128.db2.gz ZGWCVADDVVLDLD-CDNPAEQRSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(OC)c1 ZINC001203479566 1027370137 /nfs/dbraw/zinc/37/01/37/1027370137.db2.gz ZGWCVADDVVLDLD-CDNPAEQRSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(OC)c1 ZINC001203479566 1027370150 /nfs/dbraw/zinc/37/01/50/1027370150.db2.gz ZGWCVADDVVLDLD-CDNPAEQRSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(OC)c1 ZINC001203479566 1027370163 /nfs/dbraw/zinc/37/01/63/1027370163.db2.gz ZGWCVADDVVLDLD-CDNPAEQRSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(OC)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001203526015 1027406768 /nfs/dbraw/zinc/40/67/68/1027406768.db2.gz ULSUSXUMPCZMQH-CDNPAEQRSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(OC)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001203526015 1027406778 /nfs/dbraw/zinc/40/67/78/1027406778.db2.gz ULSUSXUMPCZMQH-CDNPAEQRSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(OC)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001203526015 1027406788 /nfs/dbraw/zinc/40/67/88/1027406788.db2.gz ULSUSXUMPCZMQH-CDNPAEQRSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(OC)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001203526015 1027406799 /nfs/dbraw/zinc/40/67/99/1027406799.db2.gz ULSUSXUMPCZMQH-CDNPAEQRSA-N 2 2 395.547 3.831 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(Br)c1)C2 ZINC001203765304 1027587108 /nfs/dbraw/zinc/58/71/08/1027587108.db2.gz MNOXPDLZXGXKNU-QUCCMNQESA-N 2 2 393.369 3.629 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(Br)c1)C2 ZINC001203765304 1027587123 /nfs/dbraw/zinc/58/71/23/1027587123.db2.gz MNOXPDLZXGXKNU-QUCCMNQESA-N 2 2 393.369 3.629 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(Br)c1)C2 ZINC001203765304 1027587130 /nfs/dbraw/zinc/58/71/30/1027587130.db2.gz MNOXPDLZXGXKNU-QUCCMNQESA-N 2 2 393.369 3.629 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(Br)c1)C2 ZINC001203765304 1027587142 /nfs/dbraw/zinc/58/71/42/1027587142.db2.gz MNOXPDLZXGXKNU-QUCCMNQESA-N 2 2 393.369 3.629 20 0 GHADLP Cc1nc(Nc2ccc(C[NH+]3CCCC3)cc2)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001203785781 1027604471 /nfs/dbraw/zinc/60/44/71/1027604471.db2.gz IKJSPKYPHLFGGF-IAGOWNOFSA-N 2 2 381.524 3.738 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)cc1OC ZINC001203835188 1027643960 /nfs/dbraw/zinc/64/39/60/1027643960.db2.gz KISQCEBUBHYAPU-UHFFFAOYSA-N 2 2 399.535 3.939 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)cc1OC ZINC001203835188 1027643963 /nfs/dbraw/zinc/64/39/63/1027643963.db2.gz KISQCEBUBHYAPU-UHFFFAOYSA-N 2 2 399.535 3.939 20 0 GHADLP Cc1ccc(C2(C[NH2+]Cc3ccc(OCC[NH+]4CCOCC4)cc3)CC2)c(C)c1 ZINC001461544382 1069601578 /nfs/dbraw/zinc/60/15/78/1069601578.db2.gz RSNFCPMXQNQIRV-UHFFFAOYSA-N 2 2 394.559 3.836 20 0 GHADLP COc1cc2c(cc1NC(=O)C[N@@H+]1C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C1)oc1ccccc12 ZINC000843367246 1029944213 /nfs/dbraw/zinc/94/42/13/1029944213.db2.gz BTOTVZNRYYSBHA-QGTPRVQTSA-N 2 2 393.487 3.592 20 0 GHADLP COc1cc2c(cc1NC(=O)C[N@H+]1C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C1)oc1ccccc12 ZINC000843367246 1029944216 /nfs/dbraw/zinc/94/42/16/1029944216.db2.gz BTOTVZNRYYSBHA-QGTPRVQTSA-N 2 2 393.487 3.592 20 0 GHADLP CSc1ncc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c(NC2CCCC2)n1 ZINC001222308002 1030062711 /nfs/dbraw/zinc/06/27/11/1030062711.db2.gz DZSZMKKVQMYIEG-HXUWFJFHSA-N 2 2 375.586 3.661 20 0 GHADLP CSc1ncc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(NC2CCCC2)n1 ZINC001222308002 1030062723 /nfs/dbraw/zinc/06/27/23/1030062723.db2.gz DZSZMKKVQMYIEG-HXUWFJFHSA-N 2 2 375.586 3.661 20 0 GHADLP CC(C)[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(=O)OC(C)(C)C ZINC001461613540 1069640801 /nfs/dbraw/zinc/64/08/01/1069640801.db2.gz USUTVBGISAZLKI-OAQYLSRUSA-N 2 2 389.584 3.925 20 0 GHADLP Fc1cccc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c1I ZINC001222320346 1030068602 /nfs/dbraw/zinc/06/86/02/1030068602.db2.gz GYSFLTGBSLVELB-INIZCTEOSA-N 2 2 388.268 3.538 20 0 GHADLP Fc1cccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1I ZINC001222320346 1030068614 /nfs/dbraw/zinc/06/86/14/1030068614.db2.gz GYSFLTGBSLVELB-INIZCTEOSA-N 2 2 388.268 3.538 20 0 GHADLP Oc1cccc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1F ZINC001222590517 1030215200 /nfs/dbraw/zinc/21/52/00/1030215200.db2.gz IPIVAQIBDACVNA-HXUWFJFHSA-N 2 2 384.495 3.835 20 0 GHADLP Oc1cccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1F ZINC001222590517 1030215204 /nfs/dbraw/zinc/21/52/04/1030215204.db2.gz IPIVAQIBDACVNA-HXUWFJFHSA-N 2 2 384.495 3.835 20 0 GHADLP Cc1cnc(F)c(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222590775 1030216492 /nfs/dbraw/zinc/21/64/92/1030216492.db2.gz NDXATWUPDKOKRK-NRFANRHFSA-N 2 2 383.511 3.833 20 0 GHADLP Cc1cnc(F)c(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222590775 1030216513 /nfs/dbraw/zinc/21/65/13/1030216513.db2.gz NDXATWUPDKOKRK-NRFANRHFSA-N 2 2 383.511 3.833 20 0 GHADLP c1ccc(COc2ccnc(C[N@@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)c2)cc1 ZINC001222608540 1030230759 /nfs/dbraw/zinc/23/07/59/1030230759.db2.gz BQYAHKMHXWOIDB-DEOSSOPVSA-N 2 2 385.511 3.850 20 0 GHADLP c1ccc(COc2ccnc(C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)c2)cc1 ZINC001222608540 1030230767 /nfs/dbraw/zinc/23/07/67/1030230767.db2.gz BQYAHKMHXWOIDB-DEOSSOPVSA-N 2 2 385.511 3.850 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1C(F)(F)F ZINC001222610477 1030234344 /nfs/dbraw/zinc/23/43/44/1030234344.db2.gz YWMVBKGYQAQZQN-SFHVURJKSA-N 2 2 376.422 3.903 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1C(F)(F)F ZINC001222610477 1030234355 /nfs/dbraw/zinc/23/43/55/1030234355.db2.gz YWMVBKGYQAQZQN-SFHVURJKSA-N 2 2 376.422 3.903 20 0 GHADLP Fc1cc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc(OC(F)(F)F)c1 ZINC001222610508 1030234764 /nfs/dbraw/zinc/23/47/64/1030234764.db2.gz ZZJHOMSUYAYLQZ-GOSISDBHSA-N 2 2 380.385 3.913 20 0 GHADLP Fc1cc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc(OC(F)(F)F)c1 ZINC001222610508 1030234775 /nfs/dbraw/zinc/23/47/75/1030234775.db2.gz ZZJHOMSUYAYLQZ-GOSISDBHSA-N 2 2 380.385 3.913 20 0 GHADLP CC1(C)CCC[N@@H+]1CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001217383031 1030353589 /nfs/dbraw/zinc/35/35/89/1030353589.db2.gz UEJNGXLDITXRAB-UHFFFAOYSA-N 2 2 381.524 3.882 20 0 GHADLP CC1(C)CCC[N@H+]1CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001217383031 1030353609 /nfs/dbraw/zinc/35/36/09/1030353609.db2.gz UEJNGXLDITXRAB-UHFFFAOYSA-N 2 2 381.524 3.882 20 0 GHADLP Clc1cc(C[NH2+]CCC2SCCS2)ccc1OCCn1cc[nH+]c1 ZINC001461663985 1069666176 /nfs/dbraw/zinc/66/61/76/1069666176.db2.gz ZYYJGFOQEHPJSQ-UHFFFAOYSA-N 2 2 383.970 3.901 20 0 GHADLP FC(F)(F)[C@@H]1CCC[NH2+][C@@H]1c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217707962 1030618296 /nfs/dbraw/zinc/61/82/96/1030618296.db2.gz YGELSJWLGNKQKW-XHSDSOJGSA-N 2 2 380.414 3.662 20 0 GHADLP FC(F)(F)[C@@H]1CCC[NH2+][C@@H]1c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217707962 1030618303 /nfs/dbraw/zinc/61/83/03/1030618303.db2.gz YGELSJWLGNKQKW-XHSDSOJGSA-N 2 2 380.414 3.662 20 0 GHADLP FC(F)(F)[C@@H]1CC[C@H](c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)[NH2+]C1 ZINC001217707099 1030619057 /nfs/dbraw/zinc/61/90/57/1030619057.db2.gz ROSKLFKUHNUFEW-ARFHVFGLSA-N 2 2 380.414 3.662 20 0 GHADLP FC(F)(F)[C@@H]1CC[C@H](c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)[NH2+]C1 ZINC001217707099 1030619059 /nfs/dbraw/zinc/61/90/59/1030619059.db2.gz ROSKLFKUHNUFEW-ARFHVFGLSA-N 2 2 380.414 3.662 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCSc3ccc(Cl)cc3)c2)CC1 ZINC001151281973 1030842340 /nfs/dbraw/zinc/84/23/40/1030842340.db2.gz PDXJCMBWZGWOJT-UHFFFAOYSA-N 2 2 390.940 3.608 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H](C(=O)Nc1cc([C@H]2CCC[NH2+]2)no1)c1ccccc1 ZINC001218712640 1031043483 /nfs/dbraw/zinc/04/34/83/1031043483.db2.gz OMCCCDMWFMAJEG-DENIHFKCSA-N 2 2 390.487 3.911 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H](C(=O)Nc1cc([C@H]2CCC[NH2+]2)no1)c1ccccc1 ZINC001218712640 1031043502 /nfs/dbraw/zinc/04/35/02/1031043502.db2.gz OMCCCDMWFMAJEG-DENIHFKCSA-N 2 2 390.487 3.911 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@@H](C(F)(F)F)O3)CC2)cc1 ZINC001461733442 1069709840 /nfs/dbraw/zinc/70/98/40/1069709840.db2.gz CTNVGYMAIFFGLW-OALUTQOASA-N 2 2 385.474 3.811 20 0 GHADLP C[C@H]([NH3+])c1ncc(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)s1 ZINC001220533522 1031980754 /nfs/dbraw/zinc/98/07/54/1031980754.db2.gz OQRXXKVSPPQLAL-ZANVPECISA-N 2 2 387.336 3.502 20 0 GHADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncnc3c1CC[NH+](Cc1ccccc1)C3)C2 ZINC001226564714 1032016625 /nfs/dbraw/zinc/01/66/25/1032016625.db2.gz FENIZWJULGDJFI-AERCQKQUSA-N 2 2 392.547 3.818 20 0 GHADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncnc3c1CC[NH+](Cc1ccccc1)C3)C2 ZINC001226564714 1032016644 /nfs/dbraw/zinc/01/66/44/1032016644.db2.gz FENIZWJULGDJFI-AERCQKQUSA-N 2 2 392.547 3.818 20 0 GHADLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001226564714 1032016660 /nfs/dbraw/zinc/01/66/60/1032016660.db2.gz FENIZWJULGDJFI-AERCQKQUSA-N 2 2 392.547 3.818 20 0 GHADLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001226564714 1032016672 /nfs/dbraw/zinc/01/66/72/1032016672.db2.gz FENIZWJULGDJFI-AERCQKQUSA-N 2 2 392.547 3.818 20 0 GHADLP Cc1sc2nc(C[NH+]3CCCC3)nc(NCc3ccc(N)[nH+]c3C)c2c1C ZINC001156980914 1033355553 /nfs/dbraw/zinc/35/55/53/1033355553.db2.gz PISKYNXGSOSCDU-UHFFFAOYSA-N 2 2 382.537 3.802 20 0 GHADLP C[N@@H+]1CCN(C(=O)[C@H]([NH3+])Cc2ccc(-c3ccccc3)cc2)[C@@H](c2ccccc2)C1 ZINC001157494805 1033619752 /nfs/dbraw/zinc/61/97/52/1033619752.db2.gz AZCSLOJWRXDXIL-JWQCQUIFSA-N 2 2 399.538 3.739 20 0 GHADLP C[N@H+]1CCN(C(=O)[C@H]([NH3+])Cc2ccc(-c3ccccc3)cc2)[C@@H](c2ccccc2)C1 ZINC001157494805 1033619759 /nfs/dbraw/zinc/61/97/59/1033619759.db2.gz AZCSLOJWRXDXIL-JWQCQUIFSA-N 2 2 399.538 3.739 20 0 GHADLP C[NH+](C)Cc1cc(F)ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001229858170 1033757660 /nfs/dbraw/zinc/75/76/60/1033757660.db2.gz HMENDBWOZCTQCD-OAQYLSRUSA-N 2 2 386.511 3.946 20 0 GHADLP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157971205 1033845231 /nfs/dbraw/zinc/84/52/31/1033845231.db2.gz VWBVLSJDYLWXQK-VWLOTQADSA-N 2 2 399.538 3.862 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(F)c(C[NH+]2CCCC2)c1 ZINC001206539291 1033898583 /nfs/dbraw/zinc/89/85/83/1033898583.db2.gz JMWBXCYWDOGPHZ-UHFFFAOYSA-N 2 2 384.495 3.929 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001158077639 1033902934 /nfs/dbraw/zinc/90/29/34/1033902934.db2.gz FVMYRBYUGBUBRY-UHFFFAOYSA-N 2 2 382.552 3.774 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001207185321 1034154424 /nfs/dbraw/zinc/15/44/24/1034154424.db2.gz KXAOMNCVIZJGPF-UHFFFAOYSA-N 2 2 375.513 3.572 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4C[C@H]4c4ccc(Cl)cc4)C[C@H]3C2)cn1 ZINC001207187069 1034158219 /nfs/dbraw/zinc/15/82/19/1034158219.db2.gz OITNNFFUVFUCQP-DYQZNNLLSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4C[C@H]4c4ccc(Cl)cc4)C[C@H]3C2)cn1 ZINC001207187069 1034158230 /nfs/dbraw/zinc/15/82/30/1034158230.db2.gz OITNNFFUVFUCQP-DYQZNNLLSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H]4C[C@H]4c4ccc(Cl)cc4)C[C@H]3C2)cn1 ZINC001207187069 1034158239 /nfs/dbraw/zinc/15/82/39/1034158239.db2.gz OITNNFFUVFUCQP-DYQZNNLLSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@@H]4C[C@H]4c4ccc(Cl)cc4)C[C@H]3C2)cn1 ZINC001207187069 1034158243 /nfs/dbraw/zinc/15/82/43/1034158243.db2.gz OITNNFFUVFUCQP-DYQZNNLLSA-N 2 2 384.955 3.631 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001207223873 1034190632 /nfs/dbraw/zinc/19/06/32/1034190632.db2.gz BPXMQHTWZULXLJ-LJQANCHMSA-N 2 2 389.540 3.880 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001207223873 1034190633 /nfs/dbraw/zinc/19/06/33/1034190633.db2.gz BPXMQHTWZULXLJ-LJQANCHMSA-N 2 2 389.540 3.880 20 0 GHADLP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001159209051 1034483932 /nfs/dbraw/zinc/48/39/32/1034483932.db2.gz VIYJHLCOBZANRT-OFNKIYASSA-N 2 2 396.579 3.780 20 0 GHADLP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001159209051 1034483935 /nfs/dbraw/zinc/48/39/35/1034483935.db2.gz VIYJHLCOBZANRT-OFNKIYASSA-N 2 2 396.579 3.780 20 0 GHADLP CN(c1ccc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)cn1)C1CCCCC1 ZINC001159261619 1034509797 /nfs/dbraw/zinc/50/97/97/1034509797.db2.gz MLSQVGOMVDOXML-UHFFFAOYSA-N 2 2 380.540 3.917 20 0 GHADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC001207741950 1034552106 /nfs/dbraw/zinc/55/21/06/1034552106.db2.gz MVYYACZMZGZOPP-QYZOEREBSA-N 2 2 385.552 3.550 20 0 GHADLP C[C@H]1C[C@H](C[NH+]2CCC(c3c[nH+]cn3C)CC2)CCN1C(=O)OC(C)(C)C ZINC001207822461 1034599926 /nfs/dbraw/zinc/59/99/26/1034599926.db2.gz AIFMJOZCFQTETC-DLBZAZTESA-N 2 2 376.545 3.635 20 0 GHADLP COc1cc(F)ccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001231603096 1034759765 /nfs/dbraw/zinc/75/97/65/1034759765.db2.gz XAEUWJLLWRZVRF-HSQYWUDLSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cc(F)ccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001231603096 1034759774 /nfs/dbraw/zinc/75/97/74/1034759774.db2.gz XAEUWJLLWRZVRF-HSQYWUDLSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cc(F)ccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231603096 1034759787 /nfs/dbraw/zinc/75/97/87/1034759787.db2.gz XAEUWJLLWRZVRF-HSQYWUDLSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cc(F)ccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231603096 1034759791 /nfs/dbraw/zinc/75/97/91/1034759791.db2.gz XAEUWJLLWRZVRF-HSQYWUDLSA-N 2 2 383.511 3.962 20 0 GHADLP C[NH+](C)CCOc1ccc(Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)cc1 ZINC001160350962 1034950601 /nfs/dbraw/zinc/95/06/01/1034950601.db2.gz WCMZKARXDWNHTM-FQEVSTJZSA-N 2 2 391.462 3.747 20 0 GHADLP COc1cccc2c(C[NH+]3CCC4(CCC[N@@H+]4Cc4ccn(C)n4)CC3)c[nH]c21 ZINC001231896984 1034974903 /nfs/dbraw/zinc/97/49/03/1034974903.db2.gz MLABUIOUVHREQL-UHFFFAOYSA-N 2 2 393.535 3.541 20 0 GHADLP COc1cccc2c(C[NH+]3CCC4(CCC[N@H+]4Cc4ccn(C)n4)CC3)c[nH]c21 ZINC001231896984 1034974907 /nfs/dbraw/zinc/97/49/07/1034974907.db2.gz MLABUIOUVHREQL-UHFFFAOYSA-N 2 2 393.535 3.541 20 0 GHADLP CC[C@H](CCC(=O)OC)C[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001208789419 1035022908 /nfs/dbraw/zinc/02/29/08/1035022908.db2.gz TWUWYUMTCULQRK-MRXNPFEDSA-N 2 2 381.476 3.973 20 0 GHADLP Clc1ccccc1C[NH+]1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208947783 1035117500 /nfs/dbraw/zinc/11/75/00/1035117500.db2.gz CXPNGWLODRXKAC-NRFANRHFSA-N 2 2 383.967 3.980 20 0 GHADLP Clc1ccccc1C[NH+]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208947783 1035117510 /nfs/dbraw/zinc/11/75/10/1035117510.db2.gz CXPNGWLODRXKAC-NRFANRHFSA-N 2 2 383.967 3.980 20 0 GHADLP Clc1ccccc1CN1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208947783 1035117515 /nfs/dbraw/zinc/11/75/15/1035117515.db2.gz CXPNGWLODRXKAC-NRFANRHFSA-N 2 2 383.967 3.980 20 0 GHADLP Clc1ccccc1CN1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208947783 1035117525 /nfs/dbraw/zinc/11/75/25/1035117525.db2.gz CXPNGWLODRXKAC-NRFANRHFSA-N 2 2 383.967 3.980 20 0 GHADLP Clc1ccc(CC[N@H+]2CCc3[nH+]cc(Cn4cccn4)n3CC2)c(Cl)c1 ZINC001209081560 1035165194 /nfs/dbraw/zinc/16/51/94/1035165194.db2.gz PZCHLKRDAGLLTC-UHFFFAOYSA-N 2 2 390.318 3.536 20 0 GHADLP Clc1ccc(CC[N@@H+]2CCc3[nH+]cc(Cn4cccn4)n3CC2)c(Cl)c1 ZINC001209081560 1035165197 /nfs/dbraw/zinc/16/51/97/1035165197.db2.gz PZCHLKRDAGLLTC-UHFFFAOYSA-N 2 2 390.318 3.536 20 0 GHADLP COc1cc2[nH+]c(NCC3CC[NH+](C4CCOCC4)CC3)ccc2c(OC)c1 ZINC001161240906 1035188974 /nfs/dbraw/zinc/18/89/74/1035188974.db2.gz JITYCMXGSFEVSQ-UHFFFAOYSA-N 2 2 385.508 3.555 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc4c(cnn4[C@@H]4CCCCO4)c3)c2)C1 ZINC001242450373 1035910057 /nfs/dbraw/zinc/91/00/57/1035910057.db2.gz FDOQNDUSMAKPPB-GGAORHGYSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc4c(cnn4[C@@H]4CCCCO4)c3)c2)C1 ZINC001242450373 1035910064 /nfs/dbraw/zinc/91/00/64/1035910064.db2.gz FDOQNDUSMAKPPB-GGAORHGYSA-N 2 2 376.504 3.935 20 0 GHADLP Cc1ccc2c(C[N@@H+]3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)cccc2n1 ZINC001248556357 1035953040 /nfs/dbraw/zinc/95/30/40/1035953040.db2.gz QIPMGQBCSPPMDT-UHFFFAOYSA-N 2 2 377.536 3.941 20 0 GHADLP Cc1ccc2c(C[N@H+]3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)cccc2n1 ZINC001248556357 1035953042 /nfs/dbraw/zinc/95/30/42/1035953042.db2.gz QIPMGQBCSPPMDT-UHFFFAOYSA-N 2 2 377.536 3.941 20 0 GHADLP Cc1nc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ccc1Cl ZINC001248869930 1036215098 /nfs/dbraw/zinc/21/50/98/1036215098.db2.gz LTUNPQODDTZBFN-UHFFFAOYSA-N 2 2 391.968 3.972 20 0 GHADLP Cc1nc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ccc1Cl ZINC001248869930 1036215103 /nfs/dbraw/zinc/21/51/03/1036215103.db2.gz LTUNPQODDTZBFN-UHFFFAOYSA-N 2 2 391.968 3.972 20 0 GHADLP O[C@H](COc1cccc2ccccc21)C[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001246057694 1037171115 /nfs/dbraw/zinc/17/11/15/1037171115.db2.gz CCRISDYPVLMDNM-NRFANRHFSA-N 2 2 388.511 3.674 20 0 GHADLP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CC4(CC[NH2+]CC4)Oc4ccccc43)CC[NH2+]2)cc1 ZINC001246132250 1037207787 /nfs/dbraw/zinc/20/77/87/1037207787.db2.gz OTRRJIBKRPSNGG-ILWGZMRPSA-N 3 2 377.532 3.715 20 0 GHADLP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2C(=O)OC)CC[NH2+]1 ZINC001246283123 1037274997 /nfs/dbraw/zinc/27/49/97/1037274997.db2.gz ZVHBLVNJXCPBCQ-JKSUJKDBSA-N 2 2 383.330 3.636 20 0 GHADLP COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)cc1 ZINC001246360007 1037318236 /nfs/dbraw/zinc/31/82/36/1037318236.db2.gz DKNHDLLBTRXZFV-DPLHUUCSSA-N 2 2 397.538 3.800 20 0 GHADLP [NH3+]CCC[C@H]([NH2+][C@H]1CCc2cccc(Cl)c2C1)C(=O)OCc1ccccc1 ZINC001246401413 1037357944 /nfs/dbraw/zinc/35/79/44/1037357944.db2.gz LDKZRZLXHRDBPK-RXVVDRJESA-N 2 2 386.923 3.638 20 0 GHADLP CC1([NH2+][C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001246468538 1037419863 /nfs/dbraw/zinc/41/98/63/1037419863.db2.gz YPUPNCATLFFXQB-RPWUZVMVSA-N 3 2 377.576 3.994 20 0 GHADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246535120 1037466079 /nfs/dbraw/zinc/46/60/79/1037466079.db2.gz VXGBYMGJUWFIFC-FOVJLYNBSA-N 2 2 381.539 3.695 20 0 GHADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246535120 1037466107 /nfs/dbraw/zinc/46/61/07/1037466107.db2.gz VXGBYMGJUWFIFC-FOVJLYNBSA-N 2 2 381.539 3.695 20 0 GHADLP c1ccc(C[C@@H]2C[C@H]([NH+]3CCN(c4nsc5ccccc54)CC3)CC[NH2+]2)cc1 ZINC001246683105 1037546265 /nfs/dbraw/zinc/54/62/65/1037546265.db2.gz ZFXYOVAQJSNYBI-WOJBJXKFSA-N 2 2 392.572 3.782 20 0 GHADLP CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)c2ccccc21 ZINC001246757819 1037598776 /nfs/dbraw/zinc/59/87/76/1037598776.db2.gz WGDLLPJRMOOFOK-WOJBJXKFSA-N 2 2 383.580 3.518 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H](N2CC[NH+](Cc3cccc(F)c3)CC2)CC[NH2+]1 ZINC001246774697 1037616127 /nfs/dbraw/zinc/61/61/27/1037616127.db2.gz GGLRTQNFPGWDNX-GGAORHGYSA-N 2 2 385.502 3.884 20 0 GHADLP CC(C)[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC2)CC[NH2+]1 ZINC001246787244 1037625390 /nfs/dbraw/zinc/62/53/90/1037625390.db2.gz KUJJNAPXULPREG-ZFWWWQNUSA-N 2 2 390.881 3.652 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCN(C3=Nc4ccccc4Sc4ccccc43)CC2)CC[NH2+]1 ZINC001246792244 1037630601 /nfs/dbraw/zinc/63/06/01/1037630601.db2.gz OXTGFRHMIHZAIU-QZTJIDSGSA-N 2 2 392.572 3.988 20 0 GHADLP COc1cc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)ccc1Cl ZINC001246887279 1037702214 /nfs/dbraw/zinc/70/22/14/1037702214.db2.gz LEXIVIDFXKYEEN-PZJWPPBQSA-N 2 2 399.966 3.834 20 0 GHADLP COC(=O)C1(C)CCC([N@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246957455 1037769913 /nfs/dbraw/zinc/76/99/13/1037769913.db2.gz NSXMUCARZDAIRL-UHFFFAOYSA-N 2 2 398.469 3.780 20 0 GHADLP COC(=O)C1(C)CCC([N@@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246957455 1037769933 /nfs/dbraw/zinc/76/99/33/1037769933.db2.gz NSXMUCARZDAIRL-UHFFFAOYSA-N 2 2 398.469 3.780 20 0 GHADLP COC(=O)C1(C)CCC([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001246964330 1037785031 /nfs/dbraw/zinc/78/50/31/1037785031.db2.gz KFYDGIAZTKKEMA-UHFFFAOYSA-N 2 2 380.479 3.641 20 0 GHADLP COC(=O)C1(C)CCC([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001246964330 1037785034 /nfs/dbraw/zinc/78/50/34/1037785034.db2.gz KFYDGIAZTKKEMA-UHFFFAOYSA-N 2 2 380.479 3.641 20 0 GHADLP COc1cc(N(C2CC[NH2+]CC2)[C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)cc[nH+]1 ZINC001246981560 1037807010 /nfs/dbraw/zinc/80/70/10/1037807010.db2.gz WXYVZWXKQAALNR-SIKLNZKXSA-N 3 2 398.526 3.589 20 0 GHADLP c1ccc(C(c2ccccc2)[NH+]2CC3(C2)CC[N@@H+]([C@H]2C[C@H]4C[NH2+]C[C@H]4C2)C3)cc1 ZINC001246996109 1037820170 /nfs/dbraw/zinc/82/01/70/1037820170.db2.gz QVVAICZQLIALQZ-BKFWDETESA-N 3 2 387.571 3.782 20 0 GHADLP c1ccc(C(c2ccccc2)[NH+]2CC3(C2)CC[N@H+]([C@H]2C[C@H]4C[NH2+]C[C@H]4C2)C3)cc1 ZINC001246996109 1037820196 /nfs/dbraw/zinc/82/01/96/1037820196.db2.gz QVVAICZQLIALQZ-BKFWDETESA-N 3 2 387.571 3.782 20 0 GHADLP CCc1sc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1Br ZINC001232293202 1038029779 /nfs/dbraw/zinc/02/97/79/1038029779.db2.gz XOLCITUCZUUXGM-UHFFFAOYSA-N 2 2 386.359 3.703 20 0 GHADLP CCOc1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1C ZINC001232308378 1038061515 /nfs/dbraw/zinc/06/15/15/1038061515.db2.gz IPAZTQNMVPHMPE-WWNPGLIZSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1C ZINC001232308378 1038061538 /nfs/dbraw/zinc/06/15/38/1038061538.db2.gz IPAZTQNMVPHMPE-WWNPGLIZSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1C ZINC001232308378 1038061563 /nfs/dbraw/zinc/06/15/63/1038061563.db2.gz IPAZTQNMVPHMPE-WWNPGLIZSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1C ZINC001232308378 1038061583 /nfs/dbraw/zinc/06/15/83/1038061583.db2.gz IPAZTQNMVPHMPE-WWNPGLIZSA-N 2 2 394.563 3.916 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3ccc(OCc4ccccc4)cc3)no2)cc1 ZINC001247702368 1038340402 /nfs/dbraw/zinc/34/04/02/1038340402.db2.gz WKSCLVHJEKKWFC-NRFANRHFSA-N 2 2 386.455 3.941 20 0 GHADLP CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)n1 ZINC001232606024 1038387774 /nfs/dbraw/zinc/38/77/74/1038387774.db2.gz LYXMPGBTTOFFAJ-SFHVURJKSA-N 2 2 384.480 3.867 20 0 GHADLP CC(C)(C)OC(=O)Nc1cccc(C[N@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)n1 ZINC001232606024 1038387780 /nfs/dbraw/zinc/38/77/80/1038387780.db2.gz LYXMPGBTTOFFAJ-SFHVURJKSA-N 2 2 384.480 3.867 20 0 GHADLP FC(F)(F)c1ccc(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)cc1Cl ZINC001247861014 1038431564 /nfs/dbraw/zinc/43/15/64/1038431564.db2.gz OPRCVWNJCPNANA-CYBMUJFWSA-N 2 2 386.805 3.956 20 0 GHADLP c1ccc(COc2ccccc2-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)cc1 ZINC001247867072 1038436592 /nfs/dbraw/zinc/43/65/92/1038436592.db2.gz DOSGEGFIKKIXFY-LJQANCHMSA-N 2 2 390.487 3.862 20 0 GHADLP c1[nH]c2ncncc2c1C[NH+]1CCC2(CCn3c(-c4ccccc4)c[nH+]c32)CC1 ZINC001232654569 1038444553 /nfs/dbraw/zinc/44/45/53/1038444553.db2.gz DOADSSYOULWMLD-UHFFFAOYSA-N 2 2 384.487 3.711 20 0 GHADLP Oc1ccc2[nH]cc(C[NH+]3CC(c4[nH+]cn5cc(Br)ccc45)C3)c2c1 ZINC001232872330 1038639018 /nfs/dbraw/zinc/63/90/18/1038639018.db2.gz VXCKJAABQLNYKG-UHFFFAOYSA-N 2 2 397.276 3.883 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(C)c(Br)cn2)CC1 ZINC001232906299 1038703229 /nfs/dbraw/zinc/70/32/29/1038703229.db2.gz DTMLCMNGHMNYJH-UHFFFAOYSA-N 2 2 375.314 3.595 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc4cccnc4s3)CC2)C1 ZINC001233346126 1039154983 /nfs/dbraw/zinc/15/49/83/1039154983.db2.gz RNRXZWJEEPBOIK-QGZVFWFLSA-N 2 2 387.549 3.536 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc4cccnc4s3)CC2)C1 ZINC001233346126 1039154988 /nfs/dbraw/zinc/15/49/88/1039154988.db2.gz RNRXZWJEEPBOIK-QGZVFWFLSA-N 2 2 387.549 3.536 20 0 GHADLP O[C@]1(C[NH2+]C2(c3ccccc3C(F)(F)F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252946964 1039289789 /nfs/dbraw/zinc/28/97/89/1039289789.db2.gz VYDDBYPOZJMTJV-FQEVSTJZSA-N 2 2 390.449 3.921 20 0 GHADLP O[C@]1(C[NH2+]C2(c3ccccc3C(F)(F)F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252946964 1039289814 /nfs/dbraw/zinc/28/98/14/1039289814.db2.gz VYDDBYPOZJMTJV-FQEVSTJZSA-N 2 2 390.449 3.921 20 0 GHADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(OC(c2ccccc2)c2ccccc2)CC1 ZINC001253189827 1039468048 /nfs/dbraw/zinc/46/80/48/1039468048.db2.gz LFAUMPZLUIDCQR-QHCPKHFHSA-N 2 2 396.575 3.960 20 0 GHADLP COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)ccc1-n1cc[nH+]c1 ZINC001234050581 1039786063 /nfs/dbraw/zinc/78/60/63/1039786063.db2.gz HEOWHCXNWJMLLM-RZUBCFFCSA-N 2 2 381.520 3.908 20 0 GHADLP COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)ccc1-n1cc[nH+]c1 ZINC001234050581 1039786076 /nfs/dbraw/zinc/78/60/76/1039786076.db2.gz HEOWHCXNWJMLLM-RZUBCFFCSA-N 2 2 381.520 3.908 20 0 GHADLP COc1cc(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)ccc1-n1cc[nH+]c1 ZINC001234085339 1039823923 /nfs/dbraw/zinc/82/39/23/1039823923.db2.gz RFOVCDQWGOTFCD-UHFFFAOYSA-N 2 2 380.467 3.732 20 0 GHADLP COc1cc(C[N@H+]2CCCN(c3ccc(F)cc3)CC2)ccc1-n1cc[nH+]c1 ZINC001234085339 1039823946 /nfs/dbraw/zinc/82/39/46/1039823946.db2.gz RFOVCDQWGOTFCD-UHFFFAOYSA-N 2 2 380.467 3.732 20 0 GHADLP C[N@@H+]1CCc2c(cccc2O[C@@H]2CCC[NH+](Cc3cnc(Cl)s3)C2)C1 ZINC001234422374 1040023040 /nfs/dbraw/zinc/02/30/40/1040023040.db2.gz IDHAXAVOXVFBEY-OAHLLOKOSA-N 2 2 377.941 3.828 20 0 GHADLP C[NH+]1CCc2c(cccc2O[C@@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)C1 ZINC001234422374 1040023071 /nfs/dbraw/zinc/02/30/71/1040023071.db2.gz IDHAXAVOXVFBEY-OAHLLOKOSA-N 2 2 377.941 3.828 20 0 GHADLP C[NH+]1CCc2c(cccc2O[C@@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)C1 ZINC001234422374 1040023087 /nfs/dbraw/zinc/02/30/87/1040023087.db2.gz IDHAXAVOXVFBEY-OAHLLOKOSA-N 2 2 377.941 3.828 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H]([NH+]2CCC([NH+]3CCC(F)CC3)CC2)C1 ZINC001254204388 1040056159 /nfs/dbraw/zinc/05/61/59/1040056159.db2.gz ZAVMULVRYCFTLI-LJQANCHMSA-N 2 2 383.552 3.674 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cc(F)c(Br)cc1F ZINC001462436444 1070252012 /nfs/dbraw/zinc/25/20/12/1070252012.db2.gz IEBLBJXQLRZQCZ-NSHDSACASA-N 2 2 391.300 3.613 20 0 GHADLP Fc1c[nH+]ccc1N([C@H]1Cc2ccc(Br)cc2C1)C1CC[NH2+]CC1 ZINC001254287805 1040138415 /nfs/dbraw/zinc/13/84/15/1040138415.db2.gz DGCXBEKQMXHKLQ-KRWDZBQOSA-N 2 2 390.300 3.709 20 0 GHADLP C[N@@H+]1CCC[C@H]([NH+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC001254518545 1040294305 /nfs/dbraw/zinc/29/43/05/1040294305.db2.gz BXPNRXQDRNWWPU-JBACZVJFSA-N 2 2 385.552 3.689 20 0 GHADLP C[N@H+]1CCC[C@H]([NH+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC001254518545 1040294325 /nfs/dbraw/zinc/29/43/25/1040294325.db2.gz BXPNRXQDRNWWPU-JBACZVJFSA-N 2 2 385.552 3.689 20 0 GHADLP C[NH+]1CCC[C@H]([N@@H+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC001254518545 1040294343 /nfs/dbraw/zinc/29/43/43/1040294343.db2.gz BXPNRXQDRNWWPU-JBACZVJFSA-N 2 2 385.552 3.689 20 0 GHADLP C[NH+]1CCC[C@H]([N@H+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC001254518545 1040294357 /nfs/dbraw/zinc/29/43/57/1040294357.db2.gz BXPNRXQDRNWWPU-JBACZVJFSA-N 2 2 385.552 3.689 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[C@@H]([NH2+]CCOc3cc[nH+]cc3)C2)CC1 ZINC001254744624 1040503611 /nfs/dbraw/zinc/50/36/11/1040503611.db2.gz QYSWLYXINDTEAP-QGZVFWFLSA-N 2 2 375.513 3.620 20 0 GHADLP C[NH+]1CCC2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Br)c3)C2)CC1 ZINC001235034609 1040527577 /nfs/dbraw/zinc/52/75/77/1040527577.db2.gz QDZIJDRTZAQSPE-UHFFFAOYSA-N 3 2 389.341 3.553 20 0 GHADLP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Br)c3)C2)CC1 ZINC001235034609 1040527596 /nfs/dbraw/zinc/52/75/96/1040527596.db2.gz QDZIJDRTZAQSPE-UHFFFAOYSA-N 3 2 389.341 3.553 20 0 GHADLP Brc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)ccc1-n1ccnc1 ZINC001235038506 1040530478 /nfs/dbraw/zinc/53/04/78/1040530478.db2.gz JTXDJMRKBBLGHM-IBGZPJMESA-N 2 2 389.341 3.743 20 0 GHADLP Brc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)ccc1-n1ccnc1 ZINC001235038506 1040530494 /nfs/dbraw/zinc/53/04/94/1040530494.db2.gz JTXDJMRKBBLGHM-IBGZPJMESA-N 2 2 389.341 3.743 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)Cc2cccc(N3CCOCC3)c2)CC1 ZINC001235089765 1040577527 /nfs/dbraw/zinc/57/75/27/1040577527.db2.gz QSXGPZFWOPDFLH-UHFFFAOYSA-N 2 2 397.538 3.759 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)Cc2cccc(N3CCOCC3)c2)CC1 ZINC001235089765 1040577542 /nfs/dbraw/zinc/57/75/42/1040577542.db2.gz QSXGPZFWOPDFLH-UHFFFAOYSA-N 2 2 397.538 3.759 20 0 GHADLP FC(F)(F)c1ccc(-c2ccc(C[N@@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)cc2)nc1 ZINC001235116260 1040605063 /nfs/dbraw/zinc/60/50/63/1040605063.db2.gz UPOTUEIWLXXQCT-HXUWFJFHSA-N 2 2 391.437 3.722 20 0 GHADLP FC(F)(F)c1ccc(-c2ccc(C[N@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)cc2)nc1 ZINC001235116260 1040605077 /nfs/dbraw/zinc/60/50/77/1040605077.db2.gz UPOTUEIWLXXQCT-HXUWFJFHSA-N 2 2 391.437 3.722 20 0 GHADLP Cc1cc(Cl)c(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)c1 ZINC001235167730 1040659684 /nfs/dbraw/zinc/65/96/84/1040659684.db2.gz BCIXWBHDARGLPD-IAGOWNOFSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1cc(Cl)c(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)c1 ZINC001235167730 1040659692 /nfs/dbraw/zinc/65/96/92/1040659692.db2.gz BCIXWBHDARGLPD-IAGOWNOFSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1cc(Cl)c(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)c1 ZINC001235167730 1040659705 /nfs/dbraw/zinc/65/97/05/1040659705.db2.gz BCIXWBHDARGLPD-IAGOWNOFSA-N 2 2 393.362 3.989 20 0 GHADLP Cc1cc(Cl)c(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)c1 ZINC001235167730 1040659714 /nfs/dbraw/zinc/65/97/14/1040659714.db2.gz BCIXWBHDARGLPD-IAGOWNOFSA-N 2 2 393.362 3.989 20 0 GHADLP C[N@H+](Cc1ccc(CC(F)(F)F)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462481315 1070289531 /nfs/dbraw/zinc/28/95/31/1070289531.db2.gz SAATZYHCTJDOOG-NRFANRHFSA-N 2 2 392.465 3.860 20 0 GHADLP C[N@@H+](Cc1ccc(CC(F)(F)F)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462481315 1070289537 /nfs/dbraw/zinc/28/95/37/1070289537.db2.gz SAATZYHCTJDOOG-NRFANRHFSA-N 2 2 392.465 3.860 20 0 GHADLP C[NH+](Cc1ccc(CC(F)(F)F)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001462481315 1070289544 /nfs/dbraw/zinc/28/95/44/1070289544.db2.gz SAATZYHCTJDOOG-NRFANRHFSA-N 2 2 392.465 3.860 20 0 GHADLP C[NH+](Cc1ccc(CC(F)(F)F)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001462481315 1070289553 /nfs/dbraw/zinc/28/95/53/1070289553.db2.gz SAATZYHCTJDOOG-NRFANRHFSA-N 2 2 392.465 3.860 20 0 GHADLP COC(=O)c1cccc2[nH]cc(C[N@@H+]3CCC[C@]34C[NH2+]C[C@@H]4c3ccccc3)c21 ZINC001235248814 1040730209 /nfs/dbraw/zinc/73/02/09/1040730209.db2.gz DIMHZJWFCCTKBS-HYBUGGRVSA-N 2 2 389.499 3.676 20 0 GHADLP COC(=O)c1cccc2[nH]cc(C[N@H+]3CCC[C@]34C[NH2+]C[C@@H]4c3ccccc3)c21 ZINC001235248814 1040730225 /nfs/dbraw/zinc/73/02/25/1040730225.db2.gz DIMHZJWFCCTKBS-HYBUGGRVSA-N 2 2 389.499 3.676 20 0 GHADLP FC(F)(F)Oc1cc(Cl)ccc1C[NH+]1CCC(OC2CC[NH2+]CC2)CC1 ZINC001235289964 1040760461 /nfs/dbraw/zinc/76/04/61/1040760461.db2.gz DEXDZOXZWMXOIG-UHFFFAOYSA-N 2 2 392.849 3.972 20 0 GHADLP O=C1Nc2cc(Cl)ccc2C[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255128357 1040822671 /nfs/dbraw/zinc/82/26/71/1040822671.db2.gz BTUKUCLAHWXCNG-IIZPIQPGSA-N 2 2 395.934 3.988 20 0 GHADLP O=C1Nc2cc(Cl)ccc2C[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255128357 1040822683 /nfs/dbraw/zinc/82/26/83/1040822683.db2.gz BTUKUCLAHWXCNG-IIZPIQPGSA-N 2 2 395.934 3.988 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(O)c1 ZINC001255131113 1040823954 /nfs/dbraw/zinc/82/39/54/1040823954.db2.gz YKMDGJVCNBCAHO-QXUYBEEESA-N 2 2 394.515 3.782 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(O)c1 ZINC001255131113 1040823969 /nfs/dbraw/zinc/82/39/69/1040823969.db2.gz YKMDGJVCNBCAHO-QXUYBEEESA-N 2 2 394.515 3.782 20 0 GHADLP FC(F)(F)c1ncncc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255134369 1040833319 /nfs/dbraw/zinc/83/33/19/1040833319.db2.gz BLOWALPOFHNMQA-NNZMDNLPSA-N 2 2 376.426 3.781 20 0 GHADLP FC(F)(F)c1ncncc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255134369 1040833328 /nfs/dbraw/zinc/83/33/28/1040833328.db2.gz BLOWALPOFHNMQA-NNZMDNLPSA-N 2 2 376.426 3.781 20 0 GHADLP Clc1ncnc(Cl)c1CC[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235363538 1040848929 /nfs/dbraw/zinc/84/89/29/1040848929.db2.gz RAKGVAORKYCEOO-UZLBHIALSA-N 2 2 391.346 3.579 20 0 GHADLP Clc1ncnc(Cl)c1CC[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235363538 1040848946 /nfs/dbraw/zinc/84/89/46/1040848946.db2.gz RAKGVAORKYCEOO-UZLBHIALSA-N 2 2 391.346 3.579 20 0 GHADLP FC1(F)CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@H]1[NH+]1CCCC1 ZINC001255149366 1040869108 /nfs/dbraw/zinc/86/91/08/1040869108.db2.gz IAPKRUWLROYLSK-CIAFKFPVSA-N 2 2 389.534 3.987 20 0 GHADLP FC1(F)CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@H]1[NH+]1CCCC1 ZINC001255149366 1040869119 /nfs/dbraw/zinc/86/91/19/1040869119.db2.gz IAPKRUWLROYLSK-CIAFKFPVSA-N 2 2 389.534 3.987 20 0 GHADLP Cc1cc(Br)c(Cl)cc1C[N@@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001235404092 1040916633 /nfs/dbraw/zinc/91/66/33/1040916633.db2.gz MIZAVCDPUZZPIW-STQMWFEESA-N 2 2 375.713 3.920 20 0 GHADLP Cc1cc(Br)c(Cl)cc1C[N@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001235404092 1040916644 /nfs/dbraw/zinc/91/66/44/1040916644.db2.gz MIZAVCDPUZZPIW-STQMWFEESA-N 2 2 375.713 3.920 20 0 GHADLP CC(C)n1cnc2c1cc(C1CC[NH+](C[C@H]3CCC[NH2+]3)CC1)nc2N1CCCC1 ZINC001235452122 1040944527 /nfs/dbraw/zinc/94/45/27/1040944527.db2.gz CCQSNPBWNJMODF-LJQANCHMSA-N 2 2 396.583 3.544 20 0 GHADLP Cc1ccnc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1Cl ZINC001235579940 1040997165 /nfs/dbraw/zinc/99/71/65/1040997165.db2.gz PFZBXLQJKFKYMX-UHFFFAOYSA-N 2 2 375.900 3.503 20 0 GHADLP Cc1ccnc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1Cl ZINC001235579940 1040997166 /nfs/dbraw/zinc/99/71/66/1040997166.db2.gz PFZBXLQJKFKYMX-UHFFFAOYSA-N 2 2 375.900 3.503 20 0 GHADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@H]3[C@@H](C)C[NH2+]CC3(F)F)C[C@@H]21 ZINC001235659195 1041108237 /nfs/dbraw/zinc/10/82/37/1041108237.db2.gz CXVXJEUNYACOAU-JMMIECQRSA-N 3 2 377.523 3.588 20 0 GHADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@H]3[C@@H](C)C[NH2+]CC3(F)F)C[C@@H]21 ZINC001235659195 1041108244 /nfs/dbraw/zinc/10/82/44/1041108244.db2.gz CXVXJEUNYACOAU-JMMIECQRSA-N 3 2 377.523 3.588 20 0 GHADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@H]3[C@@H](C)C[NH2+]CC3(F)F)C[C@@H]21 ZINC001235659195 1041108267 /nfs/dbraw/zinc/10/82/67/1041108267.db2.gz CXVXJEUNYACOAU-JMMIECQRSA-N 3 2 377.523 3.588 20 0 GHADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@H]3[C@@H](C)C[NH2+]CC3(F)F)C[C@@H]21 ZINC001235659195 1041108281 /nfs/dbraw/zinc/10/82/81/1041108281.db2.gz CXVXJEUNYACOAU-JMMIECQRSA-N 3 2 377.523 3.588 20 0 GHADLP FC(F)(F)c1ccc(O[C@H]2CCC[N@H+](Cc3nc4c(s3)C[NH2+]CC4)C2)cc1 ZINC001235688530 1041158545 /nfs/dbraw/zinc/15/85/45/1041158545.db2.gz QKZMZGFOPBAJQW-HNNXBMFYSA-N 2 2 397.466 3.851 20 0 GHADLP FC(F)(F)c1ccc(O[C@H]2CCC[N@@H+](Cc3nc4c(s3)C[NH2+]CC4)C2)cc1 ZINC001235688530 1041158547 /nfs/dbraw/zinc/15/85/47/1041158547.db2.gz QKZMZGFOPBAJQW-HNNXBMFYSA-N 2 2 397.466 3.851 20 0 GHADLP COCCC[N@H+](Cc1ccc2occ(Br)c2c1)[C@@H]1CCC[NH2+]C1 ZINC001235812015 1041323420 /nfs/dbraw/zinc/32/34/20/1041323420.db2.gz XILZMNMHOWJIFD-OAHLLOKOSA-N 2 2 381.314 3.786 20 0 GHADLP COCCC[N@@H+](Cc1ccc2occ(Br)c2c1)[C@@H]1CCC[NH2+]C1 ZINC001235812015 1041323429 /nfs/dbraw/zinc/32/34/29/1041323429.db2.gz XILZMNMHOWJIFD-OAHLLOKOSA-N 2 2 381.314 3.786 20 0 GHADLP CC1([NH+]2CCN(Cc3ccc(C(F)(F)F)cc3Cl)CC2)CC[NH2+]CC1 ZINC001235822591 1041338975 /nfs/dbraw/zinc/33/89/75/1041338975.db2.gz QAGGBRAPDICHEL-UHFFFAOYSA-N 2 2 375.866 3.619 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)C1 ZINC001255903290 1041386210 /nfs/dbraw/zinc/38/62/10/1041386210.db2.gz HXNOPQKDBNIPKB-MRXNPFEDSA-N 2 2 393.959 3.989 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001235867748 1041400429 /nfs/dbraw/zinc/40/04/29/1041400429.db2.gz RZZMRPUZADHQGU-OCCSQVGLSA-N 2 2 378.294 3.606 20 0 GHADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1I ZINC001235925651 1041433644 /nfs/dbraw/zinc/43/36/44/1041433644.db2.gz NNWOGEJFQOJTIQ-LBPRGKRZSA-N 2 2 398.210 3.623 20 0 GHADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1I ZINC001235925651 1041433648 /nfs/dbraw/zinc/43/36/48/1041433648.db2.gz NNWOGEJFQOJTIQ-LBPRGKRZSA-N 2 2 398.210 3.623 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC001255952053 1041433883 /nfs/dbraw/zinc/43/38/83/1041433883.db2.gz SKGUEVYIZBNQHL-PGRDOPGGSA-N 2 2 388.577 3.890 20 0 GHADLP [NH3+][C@H](c1ccccc1)[C@H]([NH2+]C1CCN(C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001255971614 1041448863 /nfs/dbraw/zinc/44/88/63/1041448863.db2.gz ULEMOOCFDZOIKF-RTBURBONSA-N 2 2 391.437 3.571 20 0 GHADLP [NH3+][C@@H](c1ccccc1)[C@H]([NH2+]C1CCN(C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001255977963 1041453533 /nfs/dbraw/zinc/45/35/33/1041453533.db2.gz ULEMOOCFDZOIKF-RBUKOAKNSA-N 2 2 391.437 3.571 20 0 GHADLP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c(OCc2ccccc2)cc1OC ZINC001235950909 1041455808 /nfs/dbraw/zinc/45/58/08/1041455808.db2.gz PIFRGRKCLYOBGM-LJQANCHMSA-N 2 2 384.520 3.714 20 0 GHADLP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c(OCc2ccccc2)cc1OC ZINC001235950909 1041455815 /nfs/dbraw/zinc/45/58/15/1041455815.db2.gz PIFRGRKCLYOBGM-LJQANCHMSA-N 2 2 384.520 3.714 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256075583 1041509350 /nfs/dbraw/zinc/50/93/50/1041509350.db2.gz OCUYZUAOFWUOJS-UHFFFAOYSA-N 2 2 377.573 3.726 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+](C2CCC2)C2CC[NH+](C3CC3)CC2)C1 ZINC001256081690 1041513316 /nfs/dbraw/zinc/51/33/16/1041513316.db2.gz CJEXSWCKPXHGGK-HXUWFJFHSA-N 2 2 377.573 3.867 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+](C2CCC2)C2CC[NH+](C3CC3)CC2)C1 ZINC001256081690 1041513325 /nfs/dbraw/zinc/51/33/25/1041513325.db2.gz CJEXSWCKPXHGGK-HXUWFJFHSA-N 2 2 377.573 3.867 20 0 GHADLP CCCC[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC[NH2+]1 ZINC001236142089 1041564809 /nfs/dbraw/zinc/56/48/09/1041564809.db2.gz PKFKFSJUQROFCD-MRXNPFEDSA-N 2 2 377.330 3.599 20 0 GHADLP C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC001236154460 1041577777 /nfs/dbraw/zinc/57/77/77/1041577777.db2.gz NIKGCOBPSFTUSB-HXUWFJFHSA-N 2 2 386.616 3.739 20 0 GHADLP CCC[N@H+](Cc1cc(I)ccc1Cl)C1CC[NH2+]CC1 ZINC001236185117 1041606264 /nfs/dbraw/zinc/60/62/64/1041606264.db2.gz WNGZUUVNGZABGQ-UHFFFAOYSA-N 2 2 392.712 3.909 20 0 GHADLP CCC[N@@H+](Cc1cc(I)ccc1Cl)C1CC[NH2+]CC1 ZINC001236185117 1041606286 /nfs/dbraw/zinc/60/62/86/1041606286.db2.gz WNGZUUVNGZABGQ-UHFFFAOYSA-N 2 2 392.712 3.909 20 0 GHADLP COc1ccc(C[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C2CC[NH2+]CC2)cc1 ZINC001236442237 1041714305 /nfs/dbraw/zinc/71/43/05/1041714305.db2.gz KYCRRJICLSHXJB-UHFFFAOYSA-N 3 2 390.531 3.944 20 0 GHADLP COc1ccc(C[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C2CC[NH2+]CC2)cc1 ZINC001236442237 1041714313 /nfs/dbraw/zinc/71/43/13/1041714313.db2.gz KYCRRJICLSHXJB-UHFFFAOYSA-N 3 2 390.531 3.944 20 0 GHADLP CCOc1cc(C)ccc1C[N@H+](Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001236468435 1041729313 /nfs/dbraw/zinc/72/93/13/1041729313.db2.gz YXSSXUJLTMEHBV-UHFFFAOYSA-N 2 2 396.531 3.935 20 0 GHADLP CCOc1cc(C)ccc1C[N@@H+](Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001236468435 1041729318 /nfs/dbraw/zinc/72/93/18/1041729318.db2.gz YXSSXUJLTMEHBV-UHFFFAOYSA-N 2 2 396.531 3.935 20 0 GHADLP FC(F)(F)c1cccc([C@H]2C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)c1 ZINC001236605981 1041777402 /nfs/dbraw/zinc/77/74/02/1041777402.db2.gz YBGJVAZGXCFVLF-QGZVFWFLSA-N 2 2 382.451 3.986 20 0 GHADLP FC(F)(F)c1cccc([C@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)c1 ZINC001236605981 1041777412 /nfs/dbraw/zinc/77/74/12/1041777412.db2.gz YBGJVAZGXCFVLF-QGZVFWFLSA-N 2 2 382.451 3.986 20 0 GHADLP CCOc1cncc(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c1 ZINC001236839750 1041924380 /nfs/dbraw/zinc/92/43/80/1041924380.db2.gz STUIHSHHFQEWEO-UHFFFAOYSA-N 2 2 392.503 3.659 20 0 GHADLP CCOc1cncc(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c1 ZINC001236839750 1041924381 /nfs/dbraw/zinc/92/43/81/1041924381.db2.gz STUIHSHHFQEWEO-UHFFFAOYSA-N 2 2 392.503 3.659 20 0 GHADLP CCOc1cncc(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001236839750 1041924385 /nfs/dbraw/zinc/92/43/85/1041924385.db2.gz STUIHSHHFQEWEO-UHFFFAOYSA-N 2 2 392.503 3.659 20 0 GHADLP CCOc1cncc(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001236839750 1041924387 /nfs/dbraw/zinc/92/43/87/1041924387.db2.gz STUIHSHHFQEWEO-UHFFFAOYSA-N 2 2 392.503 3.659 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1CN1CC[NH+](CCc2cccs2)CC1 ZINC001236922067 1041960173 /nfs/dbraw/zinc/96/01/73/1041960173.db2.gz MXMMTZJTJPLWBX-UHFFFAOYSA-N 2 2 386.952 3.948 20 0 GHADLP CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@H]1C ZINC001236930290 1041963092 /nfs/dbraw/zinc/96/30/92/1041963092.db2.gz ZFIGPNVCXODDDY-HZPDHXFCSA-N 2 2 375.900 3.937 20 0 GHADLP CCOC(=O)C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@H]1C ZINC001236930290 1041963093 /nfs/dbraw/zinc/96/30/93/1041963093.db2.gz ZFIGPNVCXODDDY-HZPDHXFCSA-N 2 2 375.900 3.937 20 0 GHADLP Brc1ccc2nc(C[NH+]3CCC(CC4CC[NH2+]CC4)CC3)[nH]c2c1 ZINC001236975923 1041974217 /nfs/dbraw/zinc/97/42/17/1041974217.db2.gz KSISESAAFHZTTJ-UHFFFAOYSA-N 2 2 391.357 3.927 20 0 GHADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(NC(=O)OC(C)(C)C)c(F)c3)C[C@H]2C1 ZINC001237043281 1042002899 /nfs/dbraw/zinc/00/28/99/1042002899.db2.gz DIQHYKJPRSWMNA-IAGOWNOFSA-N 2 2 377.504 3.946 20 0 GHADLP FC(F)(F)COc1ccc(C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cn1 ZINC001237364213 1042172157 /nfs/dbraw/zinc/17/21/57/1042172157.db2.gz SGOXNBOIGOGBNW-UHFFFAOYSA-N 2 2 377.410 3.617 20 0 GHADLP COc1ccc2c(c1)n[nH]c2C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001237393784 1042187421 /nfs/dbraw/zinc/18/74/21/1042187421.db2.gz MVGJMVSCAHAHEY-UHFFFAOYSA-N 2 2 376.504 3.670 20 0 GHADLP Clc1ncnc2ccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc12 ZINC001237584558 1042273004 /nfs/dbraw/zinc/27/30/04/1042273004.db2.gz KODNYFJLYCEAAM-KDURUIRLSA-N 2 2 378.907 3.847 20 0 GHADLP Clc1ncnc2ccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc12 ZINC001237584558 1042273006 /nfs/dbraw/zinc/27/30/06/1042273006.db2.gz KODNYFJLYCEAAM-KDURUIRLSA-N 2 2 378.907 3.847 20 0 GHADLP Clc1ncnc2ccc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cc12 ZINC001237584558 1042273011 /nfs/dbraw/zinc/27/30/11/1042273011.db2.gz KODNYFJLYCEAAM-KDURUIRLSA-N 2 2 378.907 3.847 20 0 GHADLP Clc1ncnc2ccc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cc12 ZINC001237584558 1042273017 /nfs/dbraw/zinc/27/30/17/1042273017.db2.gz KODNYFJLYCEAAM-KDURUIRLSA-N 2 2 378.907 3.847 20 0 GHADLP COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237888111 1042409103 /nfs/dbraw/zinc/40/91/03/1042409103.db2.gz AOVAYPNUADEKGO-QFIPXVFZSA-N 2 2 378.516 3.904 20 0 GHADLP Cc1cc(C[N@@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)cc(C)c1Cl ZINC001238088197 1042487599 /nfs/dbraw/zinc/48/75/99/1042487599.db2.gz ALURISQDTCFNPG-UHFFFAOYSA-N 2 2 390.959 3.637 20 0 GHADLP Cc1cc(C[N@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)cc(C)c1Cl ZINC001238088197 1042487602 /nfs/dbraw/zinc/48/76/02/1042487602.db2.gz ALURISQDTCFNPG-UHFFFAOYSA-N 2 2 390.959 3.637 20 0 GHADLP COc1ccc(-c2ccc(F)cc2OC)cc1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001238647489 1042668281 /nfs/dbraw/zinc/66/82/81/1042668281.db2.gz FQMYPKKRIVOIJN-UHFFFAOYSA-N 2 2 381.451 3.765 20 0 GHADLP COc1ccc(-c2ccc(F)cc2OC)cc1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001238647489 1042668284 /nfs/dbraw/zinc/66/82/84/1042668284.db2.gz FQMYPKKRIVOIJN-UHFFFAOYSA-N 2 2 381.451 3.765 20 0 GHADLP Fc1cc(-c2ccc(OCC[NH+]3CCOCC3)cc2)ccc1C[NH+]1CCCC1 ZINC001240451693 1042931170 /nfs/dbraw/zinc/93/11/70/1042931170.db2.gz BTRWXXHUDRGHFY-UHFFFAOYSA-N 2 2 384.495 3.800 20 0 GHADLP Cc1noc([C@H]2C[C@@H]3CC[NH+]([C@@H]4CC[N@H+](Cc5ccccc5)[C@@H](C)C4)C[C@H]3O2)n1 ZINC001256544683 1043500553 /nfs/dbraw/zinc/50/05/53/1043500553.db2.gz NNWYXEWKZCOYJR-WVCANSMHSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@H]2C[C@@H]3CC[NH+]([C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H](C)C4)C[C@H]3O2)n1 ZINC001256544683 1043500559 /nfs/dbraw/zinc/50/05/59/1043500559.db2.gz NNWYXEWKZCOYJR-WVCANSMHSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@H]2C[C@@H]3CC[N@@H+]([C@@H]4CC[NH+](Cc5ccccc5)[C@@H](C)C4)C[C@H]3O2)n1 ZINC001256544683 1043500574 /nfs/dbraw/zinc/50/05/74/1043500574.db2.gz NNWYXEWKZCOYJR-WVCANSMHSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@H]2C[C@@H]3CC[N@H+]([C@@H]4CC[NH+](Cc5ccccc5)[C@@H](C)C4)C[C@H]3O2)n1 ZINC001256544683 1043500588 /nfs/dbraw/zinc/50/05/88/1043500588.db2.gz NNWYXEWKZCOYJR-WVCANSMHSA-N 2 2 396.535 3.583 20 0 GHADLP c1ccc(C[NH+]2CC3(C2)CCCN(C2CC[NH+](Cc4ccncc4)CC2)C3)cc1 ZINC001256595459 1043561598 /nfs/dbraw/zinc/56/15/98/1043561598.db2.gz CJXCOIRNDNDOER-UHFFFAOYSA-N 2 2 390.575 3.644 20 0 GHADLP O=C1CCCCN1c1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001256601864 1043565870 /nfs/dbraw/zinc/56/58/70/1043565870.db2.gz IGEDBJRVFMPTRP-UHFFFAOYSA-N 2 2 377.532 3.958 20 0 GHADLP C[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001256604665 1043567474 /nfs/dbraw/zinc/56/74/74/1043567474.db2.gz UNMDWEKTQZBSDG-WIYYLYMNSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001256604665 1043567478 /nfs/dbraw/zinc/56/74/78/1043567478.db2.gz UNMDWEKTQZBSDG-WIYYLYMNSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604199 1043567543 /nfs/dbraw/zinc/56/75/43/1043567543.db2.gz MRQQWLMZNYPZBV-LJQANCHMSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604199 1043567551 /nfs/dbraw/zinc/56/75/51/1043567551.db2.gz MRQQWLMZNYPZBV-LJQANCHMSA-N 2 2 387.568 3.982 20 0 GHADLP COc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4c(cccc4OC)C3)CC2)cc1 ZINC001256634376 1043584181 /nfs/dbraw/zinc/58/41/81/1043584181.db2.gz ZNOKLRZFJCPCAU-OAQYLSRUSA-N 2 2 380.532 3.815 20 0 GHADLP c1ccc([C@@H]2C[C@H](N(c3cccc[nH+]3)[C@H]3COC4(C3)CC[NH2+]CC4)CCO2)cc1 ZINC001256813740 1043669794 /nfs/dbraw/zinc/66/97/94/1043669794.db2.gz LKEFGCJLOBOGEE-VSKRKVRLSA-N 2 2 393.531 3.719 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001257031854 1043810128 /nfs/dbraw/zinc/81/01/28/1043810128.db2.gz HGIPYYDWLDLHJJ-VQIMIIECSA-N 2 2 398.469 3.991 20 0 GHADLP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001257048785 1043820866 /nfs/dbraw/zinc/82/08/66/1043820866.db2.gz ULSGBVGQESPHJO-WMLDXEAASA-N 2 2 384.442 3.687 20 0 GHADLP CC[C@@H]1C[C@@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)CCN1C(=O)OC(C)(C)C ZINC001257141679 1043892625 /nfs/dbraw/zinc/89/26/25/1043892625.db2.gz JNPRARMIRGUTIR-MJGOQNOKSA-N 2 2 388.556 3.818 20 0 GHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001257804515 1044187871 /nfs/dbraw/zinc/18/78/71/1044187871.db2.gz NQWIERHZGFSEJS-CNNODRBYSA-N 2 2 379.589 3.876 20 0 GHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001257804515 1044187874 /nfs/dbraw/zinc/18/78/74/1044187874.db2.gz NQWIERHZGFSEJS-CNNODRBYSA-N 2 2 379.589 3.876 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([N@@H+]1Cc3ccccc3C[C@H]1C[NH3+])C2 ZINC001257808807 1044190581 /nfs/dbraw/zinc/19/05/81/1044190581.db2.gz RZWIMETYIXUKHR-HFMPRLQTSA-N 2 2 399.579 3.942 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([N@H+]1Cc3ccccc3C[C@H]1C[NH3+])C2 ZINC001257808807 1044190588 /nfs/dbraw/zinc/19/05/88/1044190588.db2.gz RZWIMETYIXUKHR-HFMPRLQTSA-N 2 2 399.579 3.942 20 0 GHADLP NC(=O)C1([NH2+]C2CCC(c3ccccc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001257994802 1044322566 /nfs/dbraw/zinc/32/25/66/1044322566.db2.gz WRUXUNFQNARNCJ-UHFFFAOYSA-N 2 2 391.559 3.823 20 0 GHADLP COc1cc(Br)cnc1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001279067299 1044330298 /nfs/dbraw/zinc/33/02/98/1044330298.db2.gz GNTGIZQJZHNWHL-UHFFFAOYSA-N 2 2 394.357 3.693 20 0 GHADLP C[C@@H](Cc1cccnc1)[NH2+]C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001258616439 1044670586 /nfs/dbraw/zinc/67/05/86/1044670586.db2.gz JTQSXRGULXNTNB-SQJMNOBHSA-N 2 2 389.543 3.666 20 0 GHADLP CCC[C@H](Cc1ccccc1)[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001258659487 1044698868 /nfs/dbraw/zinc/69/88/68/1044698868.db2.gz QYWZPPCHNWAREM-OAQYLSRUSA-N 2 2 381.568 3.534 20 0 GHADLP CCC[C@H](Cc1ccccc1)[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001258659487 1044698870 /nfs/dbraw/zinc/69/88/70/1044698870.db2.gz QYWZPPCHNWAREM-OAQYLSRUSA-N 2 2 381.568 3.534 20 0 GHADLP CCCC[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001258711459 1044728465 /nfs/dbraw/zinc/72/84/65/1044728465.db2.gz GIWNGNVCEVVEJS-SMIHKQSGSA-N 2 2 380.580 3.975 20 0 GHADLP CCCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001258711459 1044728480 /nfs/dbraw/zinc/72/84/80/1044728480.db2.gz GIWNGNVCEVVEJS-SMIHKQSGSA-N 2 2 380.580 3.975 20 0 GHADLP CCCC[C@@H](Cc1ccccc1)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001258711459 1044728496 /nfs/dbraw/zinc/72/84/96/1044728496.db2.gz GIWNGNVCEVVEJS-SMIHKQSGSA-N 2 2 380.580 3.975 20 0 GHADLP CCCC[C@@H](Cc1ccccc1)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001258711459 1044728512 /nfs/dbraw/zinc/72/85/12/1044728512.db2.gz GIWNGNVCEVVEJS-SMIHKQSGSA-N 2 2 380.580 3.975 20 0 GHADLP CCC[NH+]1CCC([N@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)CC1 ZINC001258775010 1044759964 /nfs/dbraw/zinc/75/99/64/1044759964.db2.gz WPEAMSBIFQONES-UHFFFAOYSA-N 2 2 398.576 3.670 20 0 GHADLP CCC[NH+]1CCC([N@@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)CC1 ZINC001258775010 1044759978 /nfs/dbraw/zinc/75/99/78/1044759978.db2.gz WPEAMSBIFQONES-UHFFFAOYSA-N 2 2 398.576 3.670 20 0 GHADLP COc1cc(C[C@@H](C)n2c[nH+]cc2-c2ccc(C[NH3+])cc2)cc(OC)c1OC ZINC001258866169 1044806843 /nfs/dbraw/zinc/80/68/43/1044806843.db2.gz ZPQWCUVDMQTHQT-OAHLLOKOSA-N 2 2 381.476 3.838 20 0 GHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000482111420 1045208114 /nfs/dbraw/zinc/20/81/14/1045208114.db2.gz RIYGGTJCULPSGP-HKUYNNGSSA-N 3 2 384.568 3.787 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)NCC(C)(C)n1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC001301547863 1046592004 /nfs/dbraw/zinc/59/20/04/1046592004.db2.gz MUUXBLZPEWLCJQ-QGZVFWFLSA-N 2 2 396.457 3.836 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)/C=C/c3cc(Cl)cc(Cl)c3)c2)CC1 ZINC001302317102 1046907657 /nfs/dbraw/zinc/90/76/57/1046907657.db2.gz NSDGZVJZYRVQGK-NSCUHMNNSA-N 2 2 391.302 3.792 20 0 GHADLP Fc1ccc(C[N@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)c(Cl)c1 ZINC001279333270 1047771204 /nfs/dbraw/zinc/77/12/04/1047771204.db2.gz UXQAUAUSWIGLDE-CALCHBBNSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)c(Cl)c1 ZINC001279333270 1047771210 /nfs/dbraw/zinc/77/12/10/1047771210.db2.gz UXQAUAUSWIGLDE-CALCHBBNSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)c(Cl)c1 ZINC001279333270 1047771213 /nfs/dbraw/zinc/77/12/13/1047771213.db2.gz UXQAUAUSWIGLDE-CALCHBBNSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)c(Cl)c1 ZINC001279333270 1047771216 /nfs/dbraw/zinc/77/12/16/1047771216.db2.gz UXQAUAUSWIGLDE-CALCHBBNSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1cc(Cl)cc(Cl)c1C[NH+]1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001279406384 1047796059 /nfs/dbraw/zinc/79/60/59/1047796059.db2.gz ZKSJVAHLPOZWGR-UHFFFAOYSA-N 2 2 397.325 3.927 20 0 GHADLP CC(=O)Nc1nc(C[NH+]2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)cs1 ZINC001279579430 1047847362 /nfs/dbraw/zinc/84/73/62/1047847362.db2.gz DOYGBTLAKIMUMJ-UHFFFAOYSA-N 2 2 376.570 3.722 20 0 GHADLP CC(=O)Nc1nc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)cs1 ZINC001279579430 1047847377 /nfs/dbraw/zinc/84/73/77/1047847377.db2.gz DOYGBTLAKIMUMJ-UHFFFAOYSA-N 2 2 376.570 3.722 20 0 GHADLP Cc1nc(Cl)c(CC[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c(Cl)n1 ZINC001279595643 1047859739 /nfs/dbraw/zinc/85/97/39/1047859739.db2.gz JKUNKVIJGHTLMH-UHFFFAOYSA-N 2 2 394.350 3.560 20 0 GHADLP Cc1cc(Cl)nc(Cl)c1C[NH+]1CCC2(CCN(CC[NH+](C)C)C2)CC1 ZINC001279636488 1047881259 /nfs/dbraw/zinc/88/12/59/1047881259.db2.gz NJJJLBZYBXHIAS-UHFFFAOYSA-N 2 2 385.383 3.546 20 0 GHADLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1cc(Cl)cc(C)n1)CC2 ZINC001279645302 1047888652 /nfs/dbraw/zinc/88/86/52/1047888652.db2.gz PBOTXWWLGRZWHB-UHFFFAOYSA-N 2 2 376.957 3.906 20 0 GHADLP Oc1cc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)ccc1Br ZINC001279653132 1047895568 /nfs/dbraw/zinc/89/55/68/1047895568.db2.gz XTFNZXMCHORADD-UHFFFAOYSA-N 2 2 390.325 3.581 20 0 GHADLP CCOc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c(Cl)c1 ZINC001280312358 1048178247 /nfs/dbraw/zinc/17/82/47/1048178247.db2.gz DROVGFLOARNGGX-RTWAWAEBSA-N 2 2 379.976 3.825 20 0 GHADLP CC(C)c1cc(Br)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1 ZINC001280318990 1048181555 /nfs/dbraw/zinc/18/15/55/1048181555.db2.gz SUSUAFPWZFIGGX-BGYRXZFFSA-N 2 2 394.401 3.783 20 0 GHADLP CC(C)c1cc(Br)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1 ZINC001280318990 1048181560 /nfs/dbraw/zinc/18/15/60/1048181560.db2.gz SUSUAFPWZFIGGX-BGYRXZFFSA-N 2 2 394.401 3.783 20 0 GHADLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1cc(C)c(Cl)cn1)CC2 ZINC001280323556 1048183283 /nfs/dbraw/zinc/18/32/83/1048183283.db2.gz ABQQZQNCPUZBAD-UHFFFAOYSA-N 2 2 376.957 3.906 20 0 GHADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@H](c3ccccc3)[NH+](CC)CC)CC2)cc1 ZINC001288328259 1049043501 /nfs/dbraw/zinc/04/35/01/1049043501.db2.gz XTVZJLCKNFTYOR-DEOSSOPVSA-N 2 2 393.575 3.976 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@@H]4CCCC[C@@H]43)CC2)cc1 ZINC001307604579 1049442568 /nfs/dbraw/zinc/44/25/68/1049442568.db2.gz UGLKBZLMFCENCJ-OYDLWJJNSA-N 2 2 397.607 3.965 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](C)[C@@H]4CCCC[C@@H]43)CC2)cc1 ZINC001307604579 1049442573 /nfs/dbraw/zinc/44/25/73/1049442573.db2.gz UGLKBZLMFCENCJ-OYDLWJJNSA-N 2 2 397.607 3.965 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC001308165851 1049896307 /nfs/dbraw/zinc/89/63/07/1049896307.db2.gz QRZYLYOIUBGCNW-NRFANRHFSA-N 2 2 394.563 3.793 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC001308165851 1049896310 /nfs/dbraw/zinc/89/63/10/1049896310.db2.gz QRZYLYOIUBGCNW-NRFANRHFSA-N 2 2 394.563 3.793 20 0 GHADLP Cn1c[nH+]cc1C1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC001308169144 1049898091 /nfs/dbraw/zinc/89/80/91/1049898091.db2.gz ZKXROLQLJDFLSZ-UHFFFAOYSA-N 2 2 381.307 3.935 20 0 GHADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001308189439 1049906430 /nfs/dbraw/zinc/90/64/30/1049906430.db2.gz WLFBHAAMUVHJEL-IPMKNSEASA-N 2 2 379.564 3.897 20 0 GHADLP C[C@@H](C[NH2+]Cc1ccc(F)cc1I)C[NH+]1CCCCC1 ZINC001308215816 1049915348 /nfs/dbraw/zinc/91/53/48/1049915348.db2.gz GJUQADFEBOZVOD-ZDUSSCGKSA-N 2 2 390.284 3.642 20 0 GHADLP COCC[NH+]1CCC([NH2+]Cc2cc(F)ccc2Oc2cncc(Cl)c2)CC1 ZINC001308226945 1049919734 /nfs/dbraw/zinc/91/97/34/1049919734.db2.gz YPZZEACRGKKLKG-UHFFFAOYSA-N 2 2 393.890 3.867 20 0 GHADLP Cc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1Br ZINC001308330228 1049950388 /nfs/dbraw/zinc/95/03/88/1049950388.db2.gz JNBSGLYDEQZOLA-ROUUACIJSA-N 2 2 381.358 3.615 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCOc3ccc(F)cc32)c2c1OC(F)(F)O2 ZINC001308373331 1049961458 /nfs/dbraw/zinc/96/14/58/1049961458.db2.gz QOVUXCHXNZKZPT-INIZCTEOSA-N 2 2 394.393 3.822 20 0 GHADLP CSc1ccccc1[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001308384643 1049963786 /nfs/dbraw/zinc/96/37/86/1049963786.db2.gz IBEQZHVDWDZTSA-SFHVURJKSA-N 2 2 386.561 3.970 20 0 GHADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001308452069 1049979722 /nfs/dbraw/zinc/97/97/22/1049979722.db2.gz BODWSPUDNUEYEV-HNNXBMFYSA-N 2 2 386.380 3.907 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@]2(Cc3ccccc3)C=CCCC2)CC1 ZINC001308896531 1050145749 /nfs/dbraw/zinc/14/57/49/1050145749.db2.gz BEMRHMNGGBSPAX-DEOSSOPVSA-N 2 2 384.564 3.963 20 0 GHADLP Brc1ccc(CC2C[NH+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC001308961326 1050220423 /nfs/dbraw/zinc/22/04/23/1050220423.db2.gz UEBXZTSPLSZEFR-UHFFFAOYSA-N 2 2 383.293 3.704 20 0 GHADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001313008525 1052932822 /nfs/dbraw/zinc/93/28/22/1052932822.db2.gz SVZYAGCJFAETFP-MOPGFXCFSA-N 2 2 389.588 3.648 20 0 GHADLP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001313050494 1052943602 /nfs/dbraw/zinc/94/36/02/1052943602.db2.gz ODGHEAOHPFQMEN-AVRDEDQJSA-N 2 2 389.503 3.507 20 0 GHADLP C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001313050494 1052943603 /nfs/dbraw/zinc/94/36/03/1052943603.db2.gz ODGHEAOHPFQMEN-AVRDEDQJSA-N 2 2 389.503 3.507 20 0 GHADLP CC[NH+](CC)CC[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC001313416322 1053048151 /nfs/dbraw/zinc/04/81/51/1053048151.db2.gz RFSZAOVQOUFUMD-BVSLBCMMSA-N 2 2 397.567 3.949 20 0 GHADLP CC[NH+](CC)CC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC001313416324 1053048312 /nfs/dbraw/zinc/04/83/12/1053048312.db2.gz RFSZAOVQOUFUMD-HJNYFJLDSA-N 2 2 397.567 3.949 20 0 GHADLP Cn1cc(-c2ccc(C[NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)cc2)cn1 ZINC001344378283 1054403800 /nfs/dbraw/zinc/40/38/00/1054403800.db2.gz PJOITYQUNIHLBZ-UHFFFAOYSA-N 2 2 389.547 3.912 20 0 GHADLP Cc1ccc(C)n1-c1nc(CC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cs1 ZINC001318605851 1054745275 /nfs/dbraw/zinc/74/52/75/1054745275.db2.gz VNFMEJKSMRKGEU-UHFFFAOYSA-N 2 2 392.488 3.621 20 0 GHADLP OCC[C@H]([NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1cccs1 ZINC001200630052 1056528440 /nfs/dbraw/zinc/52/84/40/1056528440.db2.gz GMBVPFGDLURTJX-KRWDZBQOSA-N 2 2 391.924 3.890 20 0 GHADLP Cc1noc(C)c1C[C@H](C)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001200639102 1056556437 /nfs/dbraw/zinc/55/64/37/1056556437.db2.gz BYZGVHWCKSEBPQ-AWEZNQCLSA-N 2 2 388.899 3.941 20 0 GHADLP Cc1c(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc2c[nH+]cn21 ZINC001323522100 1056980815 /nfs/dbraw/zinc/98/08/15/1056980815.db2.gz NKLKTEMHWQWUGL-HZPDHXFCSA-N 2 2 378.476 3.504 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3cc(-c4ccc(Br)cc4)cn3)CC[C@@H]21 ZINC000848481764 1057118416 /nfs/dbraw/zinc/11/84/16/1057118416.db2.gz GAEPJIVBFKJNMM-APWZRJJASA-N 2 2 389.341 3.686 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3cc(-c4ccc(Br)cc4)cn3)CC[C@@H]21 ZINC000848481764 1057118420 /nfs/dbraw/zinc/11/84/20/1057118420.db2.gz GAEPJIVBFKJNMM-APWZRJJASA-N 2 2 389.341 3.686 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3cc(-c4ccc(Br)cc4)cn3)CC[C@@H]21 ZINC000848481764 1057118421 /nfs/dbraw/zinc/11/84/21/1057118421.db2.gz GAEPJIVBFKJNMM-APWZRJJASA-N 2 2 389.341 3.686 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3cc(-c4ccc(Br)cc4)cn3)CC[C@@H]21 ZINC000848481764 1057118423 /nfs/dbraw/zinc/11/84/23/1057118423.db2.gz GAEPJIVBFKJNMM-APWZRJJASA-N 2 2 389.341 3.686 20 0 GHADLP C[NH+]1CCN(Cc2cccc(C[NH2+][C@@H]3CCc4cc(F)c(F)c(F)c43)c2)CC1 ZINC001324601582 1057176752 /nfs/dbraw/zinc/17/67/52/1057176752.db2.gz LCCPEBQEDIQPGA-LJQANCHMSA-N 2 2 389.465 3.628 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)C[C@H]2C1 ZINC000848568266 1057184077 /nfs/dbraw/zinc/18/40/77/1057184077.db2.gz CHCCLRIQOPTAIX-WKWVNEEDSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)C[C@H]2C1 ZINC000848568266 1057184081 /nfs/dbraw/zinc/18/40/81/1057184081.db2.gz CHCCLRIQOPTAIX-WKWVNEEDSA-N 2 2 377.573 3.629 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000848894373 1057402870 /nfs/dbraw/zinc/40/28/70/1057402870.db2.gz DOFBYGVLSUIDON-FUUAEGHPSA-N 2 2 380.488 3.751 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000848894373 1057402872 /nfs/dbraw/zinc/40/28/72/1057402872.db2.gz DOFBYGVLSUIDON-FUUAEGHPSA-N 2 2 380.488 3.751 20 0 GHADLP COC(=O)/C=C\c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000848909155 1057413764 /nfs/dbraw/zinc/41/37/64/1057413764.db2.gz MCDPCTYZBPCSQQ-GMGKOPGTSA-N 2 2 382.504 3.856 20 0 GHADLP COC(=O)/C=C\c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000848909155 1057413766 /nfs/dbraw/zinc/41/37/66/1057413766.db2.gz MCDPCTYZBPCSQQ-GMGKOPGTSA-N 2 2 382.504 3.856 20 0 GHADLP COC(=O)/C=C\c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000848909154 1057414037 /nfs/dbraw/zinc/41/40/37/1057414037.db2.gz MCDPCTYZBPCSQQ-AXUYNXDZSA-N 2 2 382.504 3.856 20 0 GHADLP COC(=O)/C=C\c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000848909154 1057414042 /nfs/dbraw/zinc/41/40/42/1057414042.db2.gz MCDPCTYZBPCSQQ-AXUYNXDZSA-N 2 2 382.504 3.856 20 0 GHADLP CCc1ccc(NC(=[NH2+])NCCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000849069788 1057580091 /nfs/dbraw/zinc/58/00/91/1057580091.db2.gz RBJLCTMNJGDUNH-UHFFFAOYSA-N 2 2 393.579 3.783 20 0 GHADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001450401758 1060588507 /nfs/dbraw/zinc/58/85/07/1060588507.db2.gz LJQROUOVJSRZBZ-VXKWHMMOSA-N 2 2 389.559 3.807 20 0 GHADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001450401758 1060588527 /nfs/dbraw/zinc/58/85/27/1060588527.db2.gz LJQROUOVJSRZBZ-VXKWHMMOSA-N 2 2 389.559 3.807 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001459304986 1064053545 /nfs/dbraw/zinc/05/35/45/1064053545.db2.gz YUOQLWZUXMMVMS-TZIWHRDSSA-N 2 2 397.588 3.866 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001459304986 1064053554 /nfs/dbraw/zinc/05/35/54/1064053554.db2.gz YUOQLWZUXMMVMS-TZIWHRDSSA-N 2 2 397.588 3.866 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC001350740573 1064177252 /nfs/dbraw/zinc/17/72/52/1064177252.db2.gz GMDCACMTKVEXOW-UYAOXDASSA-N 2 2 389.927 3.879 20 0 GHADLP CC(C)n1cc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)cn1 ZINC001459904214 1064265479 /nfs/dbraw/zinc/26/54/79/1064265479.db2.gz USKAPRFASDVHHH-GOSISDBHSA-N 2 2 389.975 3.980 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccccc1 ZINC001463720926 1064569355 /nfs/dbraw/zinc/56/93/55/1064569355.db2.gz BOSBTZFASOPMTM-XMMPIXPASA-N 2 2 387.527 3.787 20 0 GHADLP Cc1ccc(Br)c(F)c1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001200376795 1066027985 /nfs/dbraw/zinc/02/79/85/1066027985.db2.gz FSFINKFTYOGUCB-OAHLLOKOSA-N 2 2 385.321 3.630 20 0 GHADLP CN(C(=O)C/C=C\Cc1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001466644506 1066229470 /nfs/dbraw/zinc/22/94/70/1066229470.db2.gz ZACLYBWFNDVKIF-YGNOELGFSA-N 2 2 397.607 3.971 20 0 GHADLP CN(C(=O)C/C=C\Cc1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001466644506 1066229482 /nfs/dbraw/zinc/22/94/82/1066229482.db2.gz ZACLYBWFNDVKIF-YGNOELGFSA-N 2 2 397.607 3.971 20 0 GHADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001466665449 1066242696 /nfs/dbraw/zinc/24/26/96/1066242696.db2.gz DBCJRPIKIGHHJT-BBWFWOEESA-N 2 2 383.540 3.789 20 0 GHADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001466665449 1066242706 /nfs/dbraw/zinc/24/27/06/1066242706.db2.gz DBCJRPIKIGHHJT-BBWFWOEESA-N 2 2 383.540 3.789 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@H]1CCC1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001473280366 1067147304 /nfs/dbraw/zinc/14/73/04/1067147304.db2.gz QELLSUDXGLDWIS-NRFANRHFSA-N 2 2 384.568 3.555 20 0 GHADLP O=C(CC[N@H+]1CCC[C@H]1CCC1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001473280366 1067147317 /nfs/dbraw/zinc/14/73/17/1067147317.db2.gz QELLSUDXGLDWIS-NRFANRHFSA-N 2 2 384.568 3.555 20 0 GHADLP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001470177758 1068612318 /nfs/dbraw/zinc/61/23/18/1068612318.db2.gz UGTBHKDPVYQQPS-YADHBBJMSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001470177758 1068612321 /nfs/dbraw/zinc/61/23/21/1068612321.db2.gz UGTBHKDPVYQQPS-YADHBBJMSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001470177758 1068612326 /nfs/dbraw/zinc/61/23/26/1068612326.db2.gz UGTBHKDPVYQQPS-YADHBBJMSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001470177758 1068612330 /nfs/dbraw/zinc/61/23/30/1068612330.db2.gz UGTBHKDPVYQQPS-YADHBBJMSA-N 2 2 387.543 3.703 20 0 GHADLP CC(C)[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H](O)c1ccccc1 ZINC001460077413 1068766897 /nfs/dbraw/zinc/76/68/97/1068766897.db2.gz ATQIGQXWSLOKOT-SGNDLWITSA-N 2 2 382.548 3.625 20 0 GHADLP CC(C)[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H](O)c1ccccc1 ZINC001460077413 1068766912 /nfs/dbraw/zinc/76/69/12/1068766912.db2.gz ATQIGQXWSLOKOT-SGNDLWITSA-N 2 2 382.548 3.625 20 0 GHADLP c1csc(C[C@H]2CCC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC001460799211 1069187406 /nfs/dbraw/zinc/18/74/06/1069187406.db2.gz DLZKAJWHZSKXIK-RTWAWAEBSA-N 2 2 385.577 3.689 20 0 GHADLP c1csc(C[C@H]2CCC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC001460799211 1069187415 /nfs/dbraw/zinc/18/74/15/1069187415.db2.gz DLZKAJWHZSKXIK-RTWAWAEBSA-N 2 2 385.577 3.689 20 0 GHADLP c1csc(C[C@H]2CCC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC001460799211 1069187423 /nfs/dbraw/zinc/18/74/23/1069187423.db2.gz DLZKAJWHZSKXIK-RTWAWAEBSA-N 2 2 385.577 3.689 20 0 GHADLP c1csc(C[C@H]2CCC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC001460799211 1069187433 /nfs/dbraw/zinc/18/74/33/1069187433.db2.gz DLZKAJWHZSKXIK-RTWAWAEBSA-N 2 2 385.577 3.689 20 0 GHADLP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001471236844 1072979087 /nfs/dbraw/zinc/97/90/87/1072979087.db2.gz XBNKHLXXUAPXIW-VXKWHMMOSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001471236844 1072979091 /nfs/dbraw/zinc/97/90/91/1072979091.db2.gz XBNKHLXXUAPXIW-VXKWHMMOSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001471236844 1072979097 /nfs/dbraw/zinc/97/90/97/1072979097.db2.gz XBNKHLXXUAPXIW-VXKWHMMOSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001471236844 1072979102 /nfs/dbraw/zinc/97/91/02/1072979102.db2.gz XBNKHLXXUAPXIW-VXKWHMMOSA-N 2 2 387.543 3.703 20 0 GHADLP CC(C)(C)SCCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001473130870 1073795996 /nfs/dbraw/zinc/79/59/96/1073795996.db2.gz HTUMRFYHVPEXEO-HXUWFJFHSA-N 2 2 390.641 3.837 20 0 GHADLP CC(C)(C)SCCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001473130870 1073796001 /nfs/dbraw/zinc/79/60/01/1073796001.db2.gz HTUMRFYHVPEXEO-HXUWFJFHSA-N 2 2 390.641 3.837 20 0 GHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC001473216900 1073866314 /nfs/dbraw/zinc/86/63/14/1073866314.db2.gz CXJIMGUFUUXVPX-MOPGFXCFSA-N 2 2 390.547 3.558 20 0 GHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC001473216900 1073866327 /nfs/dbraw/zinc/86/63/27/1073866327.db2.gz CXJIMGUFUUXVPX-MOPGFXCFSA-N 2 2 390.547 3.558 20 0 GHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC001473216900 1073866331 /nfs/dbraw/zinc/86/63/31/1073866331.db2.gz CXJIMGUFUUXVPX-MOPGFXCFSA-N 2 2 390.547 3.558 20 0 GHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC001473216900 1073866341 /nfs/dbraw/zinc/86/63/41/1073866341.db2.gz CXJIMGUFUUXVPX-MOPGFXCFSA-N 2 2 390.547 3.558 20 0 GHADLP CC(C)c1cccc2c1CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001473442450 1073964874 /nfs/dbraw/zinc/96/48/74/1073964874.db2.gz CLZIFBSTONVYHS-HSZRJFAPSA-N 2 2 379.548 3.587 20 0 GHADLP CC(C)c1cccc2c1CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001473442450 1073964879 /nfs/dbraw/zinc/96/48/79/1073964879.db2.gz CLZIFBSTONVYHS-HSZRJFAPSA-N 2 2 379.548 3.587 20 0 GHADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001473651239 1074068232 /nfs/dbraw/zinc/06/82/32/1074068232.db2.gz LVSYPCMNPZKTAQ-JKSUJKDBSA-N 2 2 395.510 3.743 20 0 GHADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001473651239 1074068235 /nfs/dbraw/zinc/06/82/35/1074068235.db2.gz LVSYPCMNPZKTAQ-JKSUJKDBSA-N 2 2 395.510 3.743 20 0 GHADLP OCC1([NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CCCCCCC1 ZINC001473731057 1074112773 /nfs/dbraw/zinc/11/27/73/1074112773.db2.gz KLJFHCIJTBESPG-UHFFFAOYSA-N 2 2 394.003 3.917 20 0 GHADLP Cn1c[nH+]cc1C1CC[NH+](CC(=O)N(Cc2ccccc2)c2ccccc2)CC1 ZINC001473895615 1074194100 /nfs/dbraw/zinc/19/41/00/1074194100.db2.gz PXQOOWHFICEKBZ-UHFFFAOYSA-N 2 2 388.515 3.833 20 0 GHADLP Clc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1OCCn1ccnc1 ZINC001473960490 1074218362 /nfs/dbraw/zinc/21/83/62/1074218362.db2.gz CWNZYHHAIVBLCD-UHFFFAOYSA-N 2 2 388.943 3.722 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C[C@@H](c2ccccc2)C1 ZINC001474155785 1074278775 /nfs/dbraw/zinc/27/87/75/1074278775.db2.gz OPTKXQUEGRVLQJ-YUSVDLJSSA-N 2 2 378.560 3.968 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C[C@@H](c2ccccc2)C1 ZINC001474155785 1074278780 /nfs/dbraw/zinc/27/87/80/1074278780.db2.gz OPTKXQUEGRVLQJ-YUSVDLJSSA-N 2 2 378.560 3.968 20 0 GHADLP CCC(CC)(C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000736333534 598887176 /nfs/dbraw/zinc/88/71/76/598887176.db2.gz ANJAUILTBYLOCW-QGZVFWFLSA-N 2 2 378.524 3.866 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000824547717 608497039 /nfs/dbraw/zinc/49/70/39/608497039.db2.gz SFJMRSSDRLKUKP-YCRPNKLZSA-N 2 2 385.475 3.781 20 0 GHADLP C[C@H](CC[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F)[N@H+](C)Cc1ccccc1 ZINC000824586512 609338523 /nfs/dbraw/zinc/33/85/23/609338523.db2.gz ZHMVFFDNRSRPIH-HZPDHXFCSA-N 2 2 382.487 3.567 20 0 GHADLP C[C@H](CC[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000824586512 609338525 /nfs/dbraw/zinc/33/85/25/609338525.db2.gz ZHMVFFDNRSRPIH-HZPDHXFCSA-N 2 2 382.487 3.567 20 0 GHADLP C[C@H](CC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)[N@H+](C)Cc1ccccc1 ZINC000824586509 609338743 /nfs/dbraw/zinc/33/87/43/609338743.db2.gz ZHMVFFDNRSRPIH-CVEARBPZSA-N 2 2 382.487 3.567 20 0 GHADLP C[C@H](CC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000824586509 609338745 /nfs/dbraw/zinc/33/87/45/609338745.db2.gz ZHMVFFDNRSRPIH-CVEARBPZSA-N 2 2 382.487 3.567 20 0 GHADLP C[NH+]1CCN(c2cccc(N3CCC4(CCCc5ccccc54)CC3)[nH+]2)CC1 ZINC001164388272 718813629 /nfs/dbraw/zinc/81/36/29/718813629.db2.gz ODTCTMRQLLLPQE-UHFFFAOYSA-N 2 2 376.548 3.708 20 0 GHADLP Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc4[nH]ccc4c[nH+]2)CC3)cc1 ZINC001164671073 719495781 /nfs/dbraw/zinc/49/57/81/719495781.db2.gz BFOFRLGKGMKLPZ-UHFFFAOYSA-N 2 2 380.467 3.573 20 0 GHADLP Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc4[nH]ccc4c[nH+]2)CC3)cc1 ZINC001164671073 719495791 /nfs/dbraw/zinc/49/57/91/719495791.db2.gz BFOFRLGKGMKLPZ-UHFFFAOYSA-N 2 2 380.467 3.573 20 0 GHADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2cc1OC ZINC001164729075 720390930 /nfs/dbraw/zinc/39/09/30/720390930.db2.gz UYQNNPPUUMABSX-WOJBJXKFSA-N 2 2 390.487 3.500 20 0 GHADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2cc1OC ZINC001164729075 720390933 /nfs/dbraw/zinc/39/09/33/720390933.db2.gz UYQNNPPUUMABSX-WOJBJXKFSA-N 2 2 390.487 3.500 20 0 GHADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(C(C)(C)C)[nH+]1 ZINC001164836204 720615524 /nfs/dbraw/zinc/61/55/24/720615524.db2.gz FGIZBGOIRKDGOJ-XUVXKRRUSA-N 2 2 396.583 3.657 20 0 GHADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C(C)(C)C)[nH+]1 ZINC001164836204 720615539 /nfs/dbraw/zinc/61/55/39/720615539.db2.gz FGIZBGOIRKDGOJ-XUVXKRRUSA-N 2 2 396.583 3.657 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N)cc(Cl)[nH+]1)CC2 ZINC001164844794 720681887 /nfs/dbraw/zinc/68/18/87/720681887.db2.gz UVCSZQULIMSJSO-GOSISDBHSA-N 2 2 386.927 3.577 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N)cc(Cl)[nH+]1)CC2 ZINC001164844794 720681900 /nfs/dbraw/zinc/68/19/00/720681900.db2.gz UVCSZQULIMSJSO-GOSISDBHSA-N 2 2 386.927 3.577 20 0 GHADLP COc1ccc2cc[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2c1 ZINC001164863556 720988215 /nfs/dbraw/zinc/98/82/15/720988215.db2.gz WGJIGCIZESGBHB-MRXNPFEDSA-N 2 2 379.508 3.861 20 0 GHADLP COc1ccc2cc[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c2c1 ZINC001164863556 720988228 /nfs/dbraw/zinc/98/82/28/720988228.db2.gz WGJIGCIZESGBHB-MRXNPFEDSA-N 2 2 379.508 3.861 20 0 GHADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164975577 722116849 /nfs/dbraw/zinc/11/68/49/722116849.db2.gz JVJIKOULDLPHSM-FYYLOGMGSA-N 2 2 388.515 3.666 20 0 GHADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164975577 722116855 /nfs/dbraw/zinc/11/68/55/722116855.db2.gz JVJIKOULDLPHSM-FYYLOGMGSA-N 2 2 388.515 3.666 20 0 GHADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655701482 837692058 /nfs/dbraw/zinc/69/20/58/837692058.db2.gz XEEDOGHIWZEAMY-UPVQGACJSA-N 2 2 398.522 3.961 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000655708245 837713451 /nfs/dbraw/zinc/71/34/51/837713451.db2.gz LMBVJNRYWOQERT-UHFFFAOYSA-N 2 2 389.341 3.660 20 0 GHADLP Cc1cccc([C@@H]2CCCCCN2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000605229984 834593471 /nfs/dbraw/zinc/59/34/71/834593471.db2.gz ZQXCLQIHDKSMGF-GGAORHGYSA-N 2 2 398.595 3.790 20 0 GHADLP Cc1cccc([C@@H]2CCCCCN2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000605229984 834593475 /nfs/dbraw/zinc/59/34/75/834593475.db2.gz ZQXCLQIHDKSMGF-GGAORHGYSA-N 2 2 398.595 3.790 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)COc2ccccc2Cl)c(C)c1 ZINC000583626277 834771181 /nfs/dbraw/zinc/77/11/81/834771181.db2.gz KZQZOJFTCYMQIR-NQIIRXRSSA-N 2 2 399.922 3.924 20 0 GHADLP [NH3+][C@H](CC1CCCCC1)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000583628439 834777447 /nfs/dbraw/zinc/77/74/47/834777447.db2.gz COAKINCTQAVTQF-GOSISDBHSA-N 2 2 394.523 3.559 20 0 GHADLP O=C(CC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000044896213 834788060 /nfs/dbraw/zinc/78/80/60/834788060.db2.gz IEXWYOGLSIRDPN-FQEVSTJZSA-N 2 2 398.938 3.611 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000044896213 834788066 /nfs/dbraw/zinc/78/80/66/834788066.db2.gz IEXWYOGLSIRDPN-FQEVSTJZSA-N 2 2 398.938 3.611 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000044958530 834835558 /nfs/dbraw/zinc/83/55/58/834835558.db2.gz LBYZFMBFHKEQQA-UHFFFAOYSA-N 2 2 376.504 3.703 20 0 GHADLP O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000138503012 834896974 /nfs/dbraw/zinc/89/69/74/834896974.db2.gz HDSSOWZNRUAHMK-UHFFFAOYSA-N 2 2 392.528 3.733 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000278391407 834942261 /nfs/dbraw/zinc/94/22/61/834942261.db2.gz FWMDWLDRSCYJML-SFHVURJKSA-N 2 2 375.944 3.551 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000278391407 834942263 /nfs/dbraw/zinc/94/22/63/834942263.db2.gz FWMDWLDRSCYJML-SFHVURJKSA-N 2 2 375.944 3.551 20 0 GHADLP COc1cc(Cl)c(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000685457806 835021790 /nfs/dbraw/zinc/02/17/90/835021790.db2.gz OKYVPCLCKQFBPE-MRXNPFEDSA-N 2 2 386.367 3.602 20 0 GHADLP COc1cc(Cl)c(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000685457806 835021798 /nfs/dbraw/zinc/02/17/98/835021798.db2.gz OKYVPCLCKQFBPE-MRXNPFEDSA-N 2 2 386.367 3.602 20 0 GHADLP CN(Cc1cc(C(F)(F)F)ccc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457966 835023575 /nfs/dbraw/zinc/02/35/75/835023575.db2.gz VDAPJTMTUKONQI-KRWDZBQOSA-N 2 2 389.893 3.959 20 0 GHADLP CN(Cc1cc(C(F)(F)F)ccc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457966 835023587 /nfs/dbraw/zinc/02/35/87/835023587.db2.gz VDAPJTMTUKONQI-KRWDZBQOSA-N 2 2 389.893 3.959 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000151143610 835032901 /nfs/dbraw/zinc/03/29/01/835032901.db2.gz TVMSESDQKRAUTP-INIZCTEOSA-N 2 2 379.495 3.880 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000151143610 835032909 /nfs/dbraw/zinc/03/29/09/835032909.db2.gz TVMSESDQKRAUTP-INIZCTEOSA-N 2 2 379.495 3.880 20 0 GHADLP FC(F)(F)c1cnc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000433328448 844019203 /nfs/dbraw/zinc/01/92/03/844019203.db2.gz DDAPBESDJJKITH-UHFFFAOYSA-N 2 2 385.455 3.926 20 0 GHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000685611816 835219836 /nfs/dbraw/zinc/21/98/36/835219836.db2.gz SSTHBLCWBVBWPY-UHFFFAOYSA-N 2 2 394.563 3.589 20 0 GHADLP CCc1cccc(C)c1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274830773 835670775 /nfs/dbraw/zinc/67/07/75/835670775.db2.gz MFIYLWDNIGXZKH-UGKGYDQZSA-N 2 2 379.548 3.996 20 0 GHADLP CCc1cccc(C)c1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274830773 835670780 /nfs/dbraw/zinc/67/07/80/835670780.db2.gz MFIYLWDNIGXZKH-UGKGYDQZSA-N 2 2 379.548 3.996 20 0 GHADLP COc1cccc(C[C@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001167094554 835903327 /nfs/dbraw/zinc/90/33/27/835903327.db2.gz UKYCLFPDNLQKKJ-HSZRJFAPSA-N 2 2 380.532 3.735 20 0 GHADLP COc1cccc(C[C@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001167094554 835903336 /nfs/dbraw/zinc/90/33/36/835903336.db2.gz UKYCLFPDNLQKKJ-HSZRJFAPSA-N 2 2 380.532 3.735 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2csc([C@H](C)OC)n2)CC1 ZINC000531531178 844105112 /nfs/dbraw/zinc/10/51/12/844105112.db2.gz WVDKRTZAKBWIEU-KRWDZBQOSA-N 2 2 388.581 3.672 20 0 GHADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000180496346 836181279 /nfs/dbraw/zinc/18/12/79/836181279.db2.gz GUPBUXRHSSQJEP-QVKFZJNVSA-N 2 2 393.909 3.933 20 0 GHADLP CC(=O)N1CCC([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000236632244 836310250 /nfs/dbraw/zinc/31/02/50/836310250.db2.gz LILROGLNGACNBF-UHFFFAOYSA-N 2 2 388.515 3.699 20 0 GHADLP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1csc(-c2ccccc2)n1 ZINC000414160961 836355109 /nfs/dbraw/zinc/35/51/09/836355109.db2.gz JSIBIMXSPGCZGW-MRXNPFEDSA-N 2 2 382.533 3.996 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccsc2Br)[C@H](C)C1 ZINC000510927627 844160621 /nfs/dbraw/zinc/16/06/21/844160621.db2.gz IZVNXVXRPYTUDL-HIFRSBDPSA-N 2 2 375.376 3.737 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccsc2Br)[C@H](C)C1 ZINC000510927627 844160628 /nfs/dbraw/zinc/16/06/28/844160628.db2.gz IZVNXVXRPYTUDL-HIFRSBDPSA-N 2 2 375.376 3.737 20 0 GHADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000332675930 836454951 /nfs/dbraw/zinc/45/49/51/836454951.db2.gz BZJOFGFGHRKPAX-ZCNNSNEGSA-N 2 2 394.563 3.973 20 0 GHADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000332675930 836454958 /nfs/dbraw/zinc/45/49/58/836454958.db2.gz BZJOFGFGHRKPAX-ZCNNSNEGSA-N 2 2 394.563 3.973 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2Cl)CC2CC2)CC1 ZINC000510214720 836793341 /nfs/dbraw/zinc/79/33/41/836793341.db2.gz VFMPOXFVOGXGOY-UHFFFAOYSA-N 2 2 377.960 3.541 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2Cl)CC2CC2)CC1 ZINC000510214720 836793348 /nfs/dbraw/zinc/79/33/48/836793348.db2.gz VFMPOXFVOGXGOY-UHFFFAOYSA-N 2 2 377.960 3.541 20 0 GHADLP c1ccc(OCC2CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC001167178864 836815354 /nfs/dbraw/zinc/81/53/54/836815354.db2.gz NFZSYDBEKVKJBD-UHFFFAOYSA-N 2 2 393.575 3.990 20 0 GHADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000376087411 836828629 /nfs/dbraw/zinc/82/86/29/836828629.db2.gz YAZPGEMISLHDAD-QUCCMNQESA-N 2 2 381.568 3.771 20 0 GHADLP COc1ccc([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1Br ZINC000510244018 836942936 /nfs/dbraw/zinc/94/29/36/836942936.db2.gz STIITLSVIAGJEB-NSHDSACASA-N 2 2 384.343 3.827 20 0 GHADLP O=C1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccc(F)cc1 ZINC000414305592 837000982 /nfs/dbraw/zinc/00/09/82/837000982.db2.gz DMIJJNLLYVNOKE-MALNDZBISA-N 2 2 393.506 3.716 20 0 GHADLP O=C1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccc(F)cc1 ZINC000414305592 837000992 /nfs/dbraw/zinc/00/09/92/837000992.db2.gz DMIJJNLLYVNOKE-MALNDZBISA-N 2 2 393.506 3.716 20 0 GHADLP CC1CCN([C@@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)c2cccs2)CC1 ZINC000510251500 837018271 /nfs/dbraw/zinc/01/82/71/837018271.db2.gz CIUDUTYMGRVHTI-KRWDZBQOSA-N 2 2 378.611 3.829 20 0 GHADLP CN(C(=O)C1CCC2(CC2)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612961622 837023316 /nfs/dbraw/zinc/02/33/16/837023316.db2.gz ZXIYCDRJBCZJHN-SFTDATJTSA-N 2 2 375.601 3.752 20 0 GHADLP CN(C(=O)C1CCC2(CC2)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612961622 837023327 /nfs/dbraw/zinc/02/33/27/837023327.db2.gz ZXIYCDRJBCZJHN-SFTDATJTSA-N 2 2 375.601 3.752 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000414315668 837070513 /nfs/dbraw/zinc/07/05/13/837070513.db2.gz MYDREMWTVQCNSG-NQSCKRDGSA-N 2 2 381.495 3.574 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000414315668 837070515 /nfs/dbraw/zinc/07/05/15/837070515.db2.gz MYDREMWTVQCNSG-NQSCKRDGSA-N 2 2 381.495 3.574 20 0 GHADLP C[NH+](C)CCc1ccccc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000275601996 837854493 /nfs/dbraw/zinc/85/44/93/837854493.db2.gz GYZYIHREXZUDGP-OAQYLSRUSA-N 2 2 383.561 3.519 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cscc3-c3ccccc3)CC2)CC1 ZINC000377738798 837875506 /nfs/dbraw/zinc/87/55/06/837875506.db2.gz GFVBLEOXOMIUGW-UHFFFAOYSA-N 2 2 383.561 3.704 20 0 GHADLP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000659865929 837965522 /nfs/dbraw/zinc/96/55/22/837965522.db2.gz RLCCSNFDEBCHEI-RBUKOAKNSA-N 2 2 380.527 3.597 20 0 GHADLP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000659865929 837965524 /nfs/dbraw/zinc/96/55/24/837965524.db2.gz RLCCSNFDEBCHEI-RBUKOAKNSA-N 2 2 380.527 3.597 20 0 GHADLP CCOc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc(Br)c1OC ZINC000377888932 838102460 /nfs/dbraw/zinc/10/24/60/838102460.db2.gz MRECSIYLNDBVPJ-CQSZACIVSA-N 2 2 394.313 3.579 20 0 GHADLP CCOc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc(Br)c1OC ZINC000377888932 838102464 /nfs/dbraw/zinc/10/24/64/838102464.db2.gz MRECSIYLNDBVPJ-CQSZACIVSA-N 2 2 394.313 3.579 20 0 GHADLP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000377943653 838184365 /nfs/dbraw/zinc/18/43/65/838184365.db2.gz FKAVJKFWLWPORB-UHFFFAOYSA-N 2 2 379.439 3.570 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000659316525 838283040 /nfs/dbraw/zinc/28/30/40/838283040.db2.gz DATUQUNEYAZSQK-LPHOPBHVSA-N 2 2 383.561 3.646 20 0 GHADLP CC[C@@H](CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000510310396 838447580 /nfs/dbraw/zinc/44/75/80/838447580.db2.gz YQOUVDWKVSRMKF-NRFANRHFSA-N 2 2 388.515 3.747 20 0 GHADLP CC[C@@H](CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000510310396 838447584 /nfs/dbraw/zinc/44/75/84/838447584.db2.gz YQOUVDWKVSRMKF-NRFANRHFSA-N 2 2 388.515 3.747 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)o1 ZINC000041798167 838768921 /nfs/dbraw/zinc/76/89/21/838768921.db2.gz DXTDNGBRIKHNKA-UHFFFAOYSA-N 2 2 376.526 3.816 20 0 GHADLP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000124213217 838957973 /nfs/dbraw/zinc/95/79/73/838957973.db2.gz BRDXRHOTVRMYED-ZIAGYGMSSA-N 2 2 383.323 3.778 20 0 GHADLP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000124213217 838957975 /nfs/dbraw/zinc/95/79/75/838957975.db2.gz BRDXRHOTVRMYED-ZIAGYGMSSA-N 2 2 383.323 3.778 20 0 GHADLP O=C(NC1CC1)[C@H](c1ccc(F)cc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613644766 839059803 /nfs/dbraw/zinc/05/98/03/839059803.db2.gz YSFCHNOQCFMZDZ-QFIPXVFZSA-N 2 2 387.543 3.733 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549164091 839105662 /nfs/dbraw/zinc/10/56/62/839105662.db2.gz DAYKZFNSQKFTNQ-HSZRJFAPSA-N 2 2 393.575 3.925 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549164091 839105666 /nfs/dbraw/zinc/10/56/66/839105666.db2.gz DAYKZFNSQKFTNQ-HSZRJFAPSA-N 2 2 393.575 3.925 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000683896700 839353541 /nfs/dbraw/zinc/35/35/41/839353541.db2.gz RQTXBWLRZHHSAA-IRXDYDNUSA-N 2 2 385.483 3.638 20 0 GHADLP C[NH+](C)C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000549240042 839463429 /nfs/dbraw/zinc/46/34/29/839463429.db2.gz NFMCXVKSXJSLQV-FQEVSTJZSA-N 2 2 382.895 3.618 20 0 GHADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580487061 839654187 /nfs/dbraw/zinc/65/41/87/839654187.db2.gz DZNJGFXQBNVIAG-QRVBRYPASA-N 2 2 390.572 3.538 20 0 GHADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580487061 839654189 /nfs/dbraw/zinc/65/41/89/839654189.db2.gz DZNJGFXQBNVIAG-QRVBRYPASA-N 2 2 390.572 3.538 20 0 GHADLP CCC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580487061 839654195 /nfs/dbraw/zinc/65/41/95/839654195.db2.gz DZNJGFXQBNVIAG-QRVBRYPASA-N 2 2 390.572 3.538 20 0 GHADLP CCC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580487061 839654198 /nfs/dbraw/zinc/65/41/98/839654198.db2.gz DZNJGFXQBNVIAG-QRVBRYPASA-N 2 2 390.572 3.538 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2cn(-c3cccc(Br)c3)nc2C)CC1 ZINC000656247817 839767088 /nfs/dbraw/zinc/76/70/88/839767088.db2.gz DGWXLPIZJDTPSI-UHFFFAOYSA-N 2 2 391.357 3.859 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(-c3cccc(Br)c3)nc2C)CC1 ZINC000656247817 839767095 /nfs/dbraw/zinc/76/70/95/839767095.db2.gz DGWXLPIZJDTPSI-UHFFFAOYSA-N 2 2 391.357 3.859 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+]C[C@H]2C[C@]2(C)Br)CCOCC1)c1ccccc1 ZINC000892983439 839806420 /nfs/dbraw/zinc/80/64/20/839806420.db2.gz TXUVNUUKQLZFJU-JQHSSLGASA-N 2 2 381.358 3.650 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+]C[C@@H]2C[C@]2(C)Br)CCOCC1)c1ccccc1 ZINC000892983441 839806576 /nfs/dbraw/zinc/80/65/76/839806576.db2.gz TXUVNUUKQLZFJU-SZMVWBNQSA-N 2 2 381.358 3.650 20 0 GHADLP CC[C@@H](C)Oc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1OC ZINC000656280637 840067802 /nfs/dbraw/zinc/06/78/02/840067802.db2.gz CDUZECLMVRWBLT-UYAOXDASSA-N 2 2 376.541 3.559 20 0 GHADLP CC[C@@H](C)Oc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1OC ZINC000656280637 840067809 /nfs/dbraw/zinc/06/78/09/840067809.db2.gz CDUZECLMVRWBLT-UYAOXDASSA-N 2 2 376.541 3.559 20 0 GHADLP C[NH+](C)Cc1cccc(NC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000255766425 840183832 /nfs/dbraw/zinc/18/38/32/840183832.db2.gz BFPHFBWFDYXYCN-XFFZJAGNSA-N 2 2 378.520 3.611 20 0 GHADLP C[N@H+](CCN1CC[NH+](CCc2ccc(F)cc2Cl)CC1)Cc1ccccc1 ZINC000580866021 840355418 /nfs/dbraw/zinc/35/54/18/840355418.db2.gz XRUJVEQDDWTKKP-UHFFFAOYSA-N 2 2 389.946 3.771 20 0 GHADLP C[N@@H+](CCN1CC[NH+](CCc2ccc(F)cc2Cl)CC1)Cc1ccccc1 ZINC000580866021 840355426 /nfs/dbraw/zinc/35/54/26/840355426.db2.gz XRUJVEQDDWTKKP-UHFFFAOYSA-N 2 2 389.946 3.771 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000195194016 840425269 /nfs/dbraw/zinc/42/52/69/840425269.db2.gz XHZZPCWWZBVKNJ-NRFANRHFSA-N 2 2 388.487 3.748 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000511714678 840545081 /nfs/dbraw/zinc/54/50/81/840545081.db2.gz JQIAYFSFBCJDLW-JOCHJYFZSA-N 2 2 388.515 3.903 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000511714678 840545094 /nfs/dbraw/zinc/54/50/94/840545094.db2.gz JQIAYFSFBCJDLW-JOCHJYFZSA-N 2 2 388.515 3.903 20 0 GHADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000581040770 840625436 /nfs/dbraw/zinc/62/54/36/840625436.db2.gz ZQGJNKPDWZVNOH-RHSMWYFYSA-N 2 2 376.850 3.855 20 0 GHADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000581040770 840625440 /nfs/dbraw/zinc/62/54/40/840625440.db2.gz ZQGJNKPDWZVNOH-RHSMWYFYSA-N 2 2 376.850 3.855 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000511751169 840636753 /nfs/dbraw/zinc/63/67/53/840636753.db2.gz GHJJBGDTEBOYTR-QFIPXVFZSA-N 2 2 388.515 3.903 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000511751169 840636759 /nfs/dbraw/zinc/63/67/59/840636759.db2.gz GHJJBGDTEBOYTR-QFIPXVFZSA-N 2 2 388.515 3.903 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000277033767 844578664 /nfs/dbraw/zinc/57/86/64/844578664.db2.gz BHXVBCQQENAAEC-GOSISDBHSA-N 2 2 389.341 3.822 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000277033767 844578673 /nfs/dbraw/zinc/57/86/73/844578673.db2.gz BHXVBCQQENAAEC-GOSISDBHSA-N 2 2 389.341 3.822 20 0 GHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CC(C)(C)c3ccccc32)([NH+]2CCCCC2)CC1 ZINC000432155102 840870267 /nfs/dbraw/zinc/87/02/67/840870267.db2.gz DPRDBHZLQFQCCN-OAQYLSRUSA-N 2 2 398.595 3.659 20 0 GHADLP CC[NH2+]CC1CC[NH+]([C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)CC1 ZINC000430573641 841192142 /nfs/dbraw/zinc/19/21/42/841192142.db2.gz MJKOUHJRKJNNAF-UONOGXRCSA-N 2 2 388.581 3.904 20 0 GHADLP Cc1cc2c(s1)N(c1ccc3c(n1)OCC[NH2+]C3)c1ccccc1NC2=[NH2+] ZINC001167460229 841328656 /nfs/dbraw/zinc/32/86/56/841328656.db2.gz FSLFBRHRERLHNI-UHFFFAOYSA-N 2 2 377.473 3.754 20 0 GHADLP C#CCOc1ccc(Br)cc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000236724891 841683725 /nfs/dbraw/zinc/68/37/25/841683725.db2.gz IBDKYHYVZSYFSH-UHFFFAOYSA-N 2 2 391.353 3.958 20 0 GHADLP CC[N@@H+]1CCC[C@H](C[NH+](C)CCc2noc3ccccc32)[C@H]1c1cnn(C)c1 ZINC000661526541 841842822 /nfs/dbraw/zinc/84/28/22/841842822.db2.gz HUFGOKRNEVTTBQ-VGSWGCGISA-N 2 2 381.524 3.509 20 0 GHADLP CC[N@H+]1CCC[C@H](C[NH+](C)CCc2noc3ccccc32)[C@H]1c1cnn(C)c1 ZINC000661526541 841842831 /nfs/dbraw/zinc/84/28/31/841842831.db2.gz HUFGOKRNEVTTBQ-VGSWGCGISA-N 2 2 381.524 3.509 20 0 GHADLP CC[NH+]1CCC[C@H](C[N@H+](C)CCc2noc3ccccc32)[C@H]1c1cnn(C)c1 ZINC000661526541 841842837 /nfs/dbraw/zinc/84/28/37/841842837.db2.gz HUFGOKRNEVTTBQ-VGSWGCGISA-N 2 2 381.524 3.509 20 0 GHADLP CC[NH+]1CCC[C@H](C[N@@H+](C)CCc2noc3ccccc32)[C@H]1c1cnn(C)c1 ZINC000661526541 841842849 /nfs/dbraw/zinc/84/28/49/841842849.db2.gz HUFGOKRNEVTTBQ-VGSWGCGISA-N 2 2 381.524 3.509 20 0 GHADLP C[NH+](C)Cc1ccc(-c2noc([C@H](c3ccccc3)[NH+]3CCSCC3)n2)cc1 ZINC000581751446 842141887 /nfs/dbraw/zinc/14/18/87/842141887.db2.gz ZPTCNAIRIXPYGX-FQEVSTJZSA-N 2 2 394.544 3.936 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352393 842342117 /nfs/dbraw/zinc/34/21/17/842342117.db2.gz PLPMMNMFVPOKLV-APTRMMRNSA-N 2 2 393.531 3.744 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352393 842342127 /nfs/dbraw/zinc/34/21/27/842342127.db2.gz PLPMMNMFVPOKLV-APTRMMRNSA-N 2 2 393.531 3.744 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)s1 ZINC000511942960 842513467 /nfs/dbraw/zinc/51/34/67/842513467.db2.gz MSVUQUJVYZOXJY-LBPRGKRZSA-N 2 2 385.364 3.880 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1cccc(OCC[NH+](C)C)c1 ZINC000581899039 842536661 /nfs/dbraw/zinc/53/66/61/842536661.db2.gz XMHAUMWVSMGUGJ-KGLIPLIRSA-N 2 2 393.329 3.591 20 0 GHADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3nnc(Cc4ccccc4C)o3)C1)CCCC2 ZINC000548338033 842676796 /nfs/dbraw/zinc/67/67/96/842676796.db2.gz NAUFSHBCIGEURP-IBGZPJMESA-N 2 2 391.519 3.800 20 0 GHADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3nnc(Cc4ccccc4C)o3)C1)CCCC2 ZINC000548338033 842676799 /nfs/dbraw/zinc/67/67/99/842676799.db2.gz NAUFSHBCIGEURP-IBGZPJMESA-N 2 2 391.519 3.800 20 0 GHADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152306 842772075 /nfs/dbraw/zinc/77/20/75/842772075.db2.gz CTHAEEIUVOOMSR-JPYJTQIMSA-N 2 2 393.531 3.531 20 0 GHADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152306 842772081 /nfs/dbraw/zinc/77/20/81/842772081.db2.gz CTHAEEIUVOOMSR-JPYJTQIMSA-N 2 2 393.531 3.531 20 0 GHADLP COc1ccccc1-n1nccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000430725354 842904090 /nfs/dbraw/zinc/90/40/90/842904090.db2.gz QROQHWUWKIMKRU-NRFANRHFSA-N 2 2 390.531 3.835 20 0 GHADLP COc1ccccc1-n1nccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000430725354 842904094 /nfs/dbraw/zinc/90/40/94/842904094.db2.gz QROQHWUWKIMKRU-NRFANRHFSA-N 2 2 390.531 3.835 20 0 GHADLP COc1ccccc1-n1nccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000430725354 842904102 /nfs/dbraw/zinc/90/41/02/842904102.db2.gz QROQHWUWKIMKRU-NRFANRHFSA-N 2 2 390.531 3.835 20 0 GHADLP COc1ccccc1-n1nccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000430725354 842904106 /nfs/dbraw/zinc/90/41/06/842904106.db2.gz QROQHWUWKIMKRU-NRFANRHFSA-N 2 2 390.531 3.835 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@H](C)C1 ZINC000178477558 861373481 /nfs/dbraw/zinc/37/34/81/861373481.db2.gz ZEIJHVRMWDXDOL-DENIHFKCSA-N 2 2 396.579 3.588 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@H](C)C1 ZINC000178477558 861373490 /nfs/dbraw/zinc/37/34/90/861373490.db2.gz ZEIJHVRMWDXDOL-DENIHFKCSA-N 2 2 396.579 3.588 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc(OC)c1OC ZINC000512213841 843109032 /nfs/dbraw/zinc/10/90/32/843109032.db2.gz UHHZLNIFVVZEQT-ZWKOTPCHSA-N 2 2 376.541 3.799 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc(OC)c1OC ZINC000512213841 843109033 /nfs/dbraw/zinc/10/90/33/843109033.db2.gz UHHZLNIFVVZEQT-ZWKOTPCHSA-N 2 2 376.541 3.799 20 0 GHADLP COc1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc(OC)c1OC ZINC000512213841 843109035 /nfs/dbraw/zinc/10/90/35/843109035.db2.gz UHHZLNIFVVZEQT-ZWKOTPCHSA-N 2 2 376.541 3.799 20 0 GHADLP COc1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc(OC)c1OC ZINC000512213841 843109036 /nfs/dbraw/zinc/10/90/36/843109036.db2.gz UHHZLNIFVVZEQT-ZWKOTPCHSA-N 2 2 376.541 3.799 20 0 GHADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)cc(Cl)c1Cl)C2 ZINC001279290590 843112462 /nfs/dbraw/zinc/11/24/62/843112462.db2.gz ABTWBIPVLMQTPV-DOMZBBRYSA-N 2 2 376.759 3.715 20 0 GHADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)cc(Cl)c1Cl)C2 ZINC001279290590 843112466 /nfs/dbraw/zinc/11/24/66/843112466.db2.gz ABTWBIPVLMQTPV-DOMZBBRYSA-N 2 2 376.759 3.715 20 0 GHADLP Cc1cccc([C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c2cccc(F)c2)c1 ZINC000510658788 843145288 /nfs/dbraw/zinc/14/52/88/843145288.db2.gz VJEXJVUMPNGIBF-XZOQPEGZSA-N 2 2 397.538 3.756 20 0 GHADLP Cc1cccc([C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c2cccc(F)c2)c1 ZINC000510658788 843145296 /nfs/dbraw/zinc/14/52/96/843145296.db2.gz VJEXJVUMPNGIBF-XZOQPEGZSA-N 2 2 397.538 3.756 20 0 GHADLP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000430902146 843156892 /nfs/dbraw/zinc/15/68/92/843156892.db2.gz XAJGOTJPPOZDGQ-QZTJIDSGSA-N 2 2 394.523 3.559 20 0 GHADLP [NH3+]CCC[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000418677872 843533797 /nfs/dbraw/zinc/53/37/97/843533797.db2.gz SEMGUPRRUILTRZ-OAQYLSRUSA-N 2 2 383.540 3.565 20 0 GHADLP O[C@@](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)(c1ccccc1)C(F)(F)F ZINC000162943595 843545247 /nfs/dbraw/zinc/54/52/47/843545247.db2.gz NFWLWGSPNYLQJH-NRFANRHFSA-N 2 2 392.465 3.733 20 0 GHADLP CCOc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc(Br)c1OC ZINC000512379747 843597836 /nfs/dbraw/zinc/59/78/36/843597836.db2.gz OCXDMSFIPATVTP-UHFFFAOYSA-N 2 2 394.313 3.959 20 0 GHADLP CCc1nc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cs1 ZINC000091708366 843641918 /nfs/dbraw/zinc/64/19/18/843641918.db2.gz KVJLVWDRQZKBHC-UHFFFAOYSA-N 2 2 388.581 3.822 20 0 GHADLP Brc1ccc(C[N@H+](CCCc2ccncc2)CCn2cc[nH+]c2)o1 ZINC000510907508 843775033 /nfs/dbraw/zinc/77/50/33/843775033.db2.gz XGSJOEWHWBYNMW-UHFFFAOYSA-N 2 2 389.297 3.769 20 0 GHADLP Brc1ccc(C[N@@H+](CCCc2ccncc2)CCn2cc[nH+]c2)o1 ZINC000510907508 843775039 /nfs/dbraw/zinc/77/50/39/843775039.db2.gz XGSJOEWHWBYNMW-UHFFFAOYSA-N 2 2 389.297 3.769 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)CC1 ZINC000051425673 843875400 /nfs/dbraw/zinc/87/54/00/843875400.db2.gz HCVYRTFYOLXAEV-SFHVURJKSA-N 2 2 397.588 3.756 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2C)CC1 ZINC000051425673 843875404 /nfs/dbraw/zinc/87/54/04/843875404.db2.gz HCVYRTFYOLXAEV-SFHVURJKSA-N 2 2 397.588 3.756 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](Cc4cnc5ccccc5c4)CC3)C2)cc1 ZINC000512463803 843885563 /nfs/dbraw/zinc/88/55/63/843885563.db2.gz UAYSDYXOYBQFTO-XMMPIXPASA-N 2 2 386.543 3.627 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](Cc4cnc5ccccc5c4)CC3)C2)cc1 ZINC000512463803 843885569 /nfs/dbraw/zinc/88/55/69/843885569.db2.gz UAYSDYXOYBQFTO-XMMPIXPASA-N 2 2 386.543 3.627 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](CC3CCC3)c3ccccc3)CC2)CC1 ZINC000180990843 844676625 /nfs/dbraw/zinc/67/66/25/844676625.db2.gz GDACFGRXKVUZOL-QHCPKHFHSA-N 2 2 398.595 3.776 20 0 GHADLP CN(C(=O)NC1CCCCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535865780 844866417 /nfs/dbraw/zinc/86/64/17/844866417.db2.gz LXVDABIWWMBCEP-NHCUHLMSSA-N 2 2 378.605 3.688 20 0 GHADLP CN(C(=O)NC1CCCCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535865780 844866420 /nfs/dbraw/zinc/86/64/20/844866420.db2.gz LXVDABIWWMBCEP-NHCUHLMSSA-N 2 2 378.605 3.688 20 0 GHADLP CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)[NH+](C)C)cc1 ZINC000513345167 845274952 /nfs/dbraw/zinc/27/49/52/845274952.db2.gz HNAHWVSCAGOQKQ-JOCHJYFZSA-N 2 2 397.567 3.731 20 0 GHADLP Cc1noc(C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)n1 ZINC000277226809 845349687 /nfs/dbraw/zinc/34/96/87/845349687.db2.gz YKEPRLNMJGDADE-QFIPXVFZSA-N 2 2 376.504 3.916 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cc(Cl)ccc3Cl)[nH+]c2)CC1 ZINC000513488130 845539708 /nfs/dbraw/zinc/53/97/08/845539708.db2.gz PSTVOXPYFKGVKB-UHFFFAOYSA-N 2 2 379.335 3.953 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C3)sc2C1 ZINC000421380423 846190623 /nfs/dbraw/zinc/19/06/23/846190623.db2.gz JMZGBROJGWYFSQ-JKSUJKDBSA-N 2 2 393.597 3.709 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C3)sc2C1 ZINC000421380423 846190626 /nfs/dbraw/zinc/19/06/26/846190626.db2.gz JMZGBROJGWYFSQ-JKSUJKDBSA-N 2 2 393.597 3.709 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C3)sc2C1 ZINC000421380423 846190629 /nfs/dbraw/zinc/19/06/29/846190629.db2.gz JMZGBROJGWYFSQ-JKSUJKDBSA-N 2 2 393.597 3.709 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C3)sc2C1 ZINC000421380423 846190633 /nfs/dbraw/zinc/19/06/33/846190633.db2.gz JMZGBROJGWYFSQ-JKSUJKDBSA-N 2 2 393.597 3.709 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(CN3CC[NH+](Cc4ccccc4)[C@H](C)C3)sc2C1 ZINC000414514040 846191716 /nfs/dbraw/zinc/19/17/16/846191716.db2.gz RATUSGNQPNMVKE-GOSISDBHSA-N 2 2 384.593 3.616 20 0 GHADLP CC(C)[N@H+]1CCc2nc(CN3CC[NH+](Cc4ccccc4)[C@H](C)C3)sc2C1 ZINC000414514040 846191726 /nfs/dbraw/zinc/19/17/26/846191726.db2.gz RATUSGNQPNMVKE-GOSISDBHSA-N 2 2 384.593 3.616 20 0 GHADLP CC(C)[NH+]1CCc2nc(CN3CC[N@H+](Cc4ccccc4)[C@H](C)C3)sc2C1 ZINC000414514040 846191734 /nfs/dbraw/zinc/19/17/34/846191734.db2.gz RATUSGNQPNMVKE-GOSISDBHSA-N 2 2 384.593 3.616 20 0 GHADLP CC(C)[NH+]1CCc2nc(CN3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)sc2C1 ZINC000414514040 846191744 /nfs/dbraw/zinc/19/17/44/846191744.db2.gz RATUSGNQPNMVKE-GOSISDBHSA-N 2 2 384.593 3.616 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc(F)ccc3OC(F)F)c2)CCO1 ZINC000657328861 846259546 /nfs/dbraw/zinc/25/95/46/846259546.db2.gz GDDHUKYCXKIPFS-OAHLLOKOSA-N 2 2 394.437 3.938 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc(F)ccc3OC(F)F)c2)CCO1 ZINC000657328861 846259555 /nfs/dbraw/zinc/25/95/55/846259555.db2.gz GDDHUKYCXKIPFS-OAHLLOKOSA-N 2 2 394.437 3.938 20 0 GHADLP CC[NH+](CC)CCCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000501024317 846559088 /nfs/dbraw/zinc/55/90/88/846559088.db2.gz PDBKBLCOPRLYAY-GOSISDBHSA-N 2 2 398.954 3.647 20 0 GHADLP Cc1ccc(-c2cc(C[NH+]3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)on2)cc1 ZINC000501112257 846659910 /nfs/dbraw/zinc/65/99/10/846659910.db2.gz UKJUPXWUMYMKTR-BGYRXZFFSA-N 2 2 382.552 3.640 20 0 GHADLP Cc1ccc(-c2cc(C[NH+]3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)on2)cc1 ZINC000501112257 846659917 /nfs/dbraw/zinc/65/99/17/846659917.db2.gz UKJUPXWUMYMKTR-BGYRXZFFSA-N 2 2 382.552 3.640 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)CCCc3ccccc3)CC2)CC1 ZINC000422015089 846732855 /nfs/dbraw/zinc/73/28/55/846732855.db2.gz GOLZMZXKKGALEV-OAQYLSRUSA-N 2 2 385.596 3.664 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)CCCc3ccccc3)CC2)CC1 ZINC000422015089 846732860 /nfs/dbraw/zinc/73/28/60/846732860.db2.gz GOLZMZXKKGALEV-OAQYLSRUSA-N 2 2 385.596 3.664 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1OCCc2sccc21 ZINC000429130082 861713980 /nfs/dbraw/zinc/71/39/80/861713980.db2.gz BYDBCOZBNQTVGK-LRXVAGHRSA-N 2 2 386.561 3.631 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1OCCc2sccc21 ZINC000429130082 861713991 /nfs/dbraw/zinc/71/39/91/861713991.db2.gz BYDBCOZBNQTVGK-LRXVAGHRSA-N 2 2 386.561 3.631 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc([C@H]4C[C@H]4C)o3)CC2)CC1 ZINC000422028072 846758360 /nfs/dbraw/zinc/75/83/60/846758360.db2.gz XEXOAAFZKUTMQS-BVOGOJNSSA-N 2 2 399.579 3.525 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc([C@H]4C[C@H]4C)o3)CC2)CC1 ZINC000422028072 846758370 /nfs/dbraw/zinc/75/83/70/846758370.db2.gz XEXOAAFZKUTMQS-BVOGOJNSSA-N 2 2 399.579 3.525 20 0 GHADLP CC[C@@H](C)[C@@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422027088 846758933 /nfs/dbraw/zinc/75/89/33/846758933.db2.gz VQYCWRYKIIWTSM-NFBKMPQASA-N 2 2 385.596 3.835 20 0 GHADLP CC[C@@H](C)[C@@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422027088 846758940 /nfs/dbraw/zinc/75/89/40/846758940.db2.gz VQYCWRYKIIWTSM-NFBKMPQASA-N 2 2 385.596 3.835 20 0 GHADLP COC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(F)c(F)c1 ZINC000272323009 847048881 /nfs/dbraw/zinc/04/88/81/847048881.db2.gz WKRZEVXUHRZPTN-HXUWFJFHSA-N 2 2 390.478 3.690 20 0 GHADLP CN(C(=O)C1CCC(C2CC2)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001268966852 847096759 /nfs/dbraw/zinc/09/67/59/847096759.db2.gz DNIMNZCGXPCDET-AEDUHMMZSA-N 2 2 389.628 3.998 20 0 GHADLP CN(C(=O)C1CCC(C2CC2)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001268966852 847096763 /nfs/dbraw/zinc/09/67/63/847096763.db2.gz DNIMNZCGXPCDET-AEDUHMMZSA-N 2 2 389.628 3.998 20 0 GHADLP CN(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001268967018 847097277 /nfs/dbraw/zinc/09/72/77/847097277.db2.gz GGUXTCVBMCETRQ-XZAAFUHCSA-N 2 2 375.601 3.608 20 0 GHADLP CN(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001268967018 847097286 /nfs/dbraw/zinc/09/72/86/847097286.db2.gz GGUXTCVBMCETRQ-XZAAFUHCSA-N 2 2 375.601 3.608 20 0 GHADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F)C1CCCCC1 ZINC000420356190 847136047 /nfs/dbraw/zinc/13/60/47/847136047.db2.gz GANZFYBPRLTXEO-CQSZACIVSA-N 2 2 377.838 3.795 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420394054 847158022 /nfs/dbraw/zinc/15/80/22/847158022.db2.gz CLHVYCWYFHQMPV-WOPDTQHZSA-N 2 2 377.838 3.603 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420394054 847158027 /nfs/dbraw/zinc/15/80/27/847158027.db2.gz CLHVYCWYFHQMPV-WOPDTQHZSA-N 2 2 377.838 3.603 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)CC2)CC1 ZINC000422217829 847476575 /nfs/dbraw/zinc/47/65/75/847476575.db2.gz XRQIOKWEKLEISM-IBGZPJMESA-N 2 2 398.595 3.827 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)CC2)CC1 ZINC000422217829 847476586 /nfs/dbraw/zinc/47/65/86/847476586.db2.gz XRQIOKWEKLEISM-IBGZPJMESA-N 2 2 398.595 3.827 20 0 GHADLP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000420913388 847531629 /nfs/dbraw/zinc/53/16/29/847531629.db2.gz AZHWDUTWYAHIRT-VXKWHMMOSA-N 2 2 386.923 3.792 20 0 GHADLP O=C(C[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000420937502 847556304 /nfs/dbraw/zinc/55/63/04/847556304.db2.gz NUPXMSGMGKEZHS-HXUWFJFHSA-N 2 2 384.545 3.818 20 0 GHADLP O=C(C[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000420937502 847556315 /nfs/dbraw/zinc/55/63/15/847556315.db2.gz NUPXMSGMGKEZHS-HXUWFJFHSA-N 2 2 384.545 3.818 20 0 GHADLP CN1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000420957972 847578627 /nfs/dbraw/zinc/57/86/27/847578627.db2.gz DHPROMJUSLKOBN-GOTSBHOMSA-N 2 2 399.966 3.707 20 0 GHADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCN(c2ccccc2)CC1 ZINC000420970230 847597862 /nfs/dbraw/zinc/59/78/62/847597862.db2.gz ZRCJGBMCMLDXHU-UHFFFAOYSA-N 2 2 379.548 3.620 20 0 GHADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCN(c2ccccc2)CC1 ZINC000420970230 847597874 /nfs/dbraw/zinc/59/78/74/847597874.db2.gz ZRCJGBMCMLDXHU-UHFFFAOYSA-N 2 2 379.548 3.620 20 0 GHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503389315 847648085 /nfs/dbraw/zinc/64/80/85/847648085.db2.gz GLECZSSJACJRDD-IEBWSBKVSA-N 2 2 398.526 3.758 20 0 GHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503389315 847648089 /nfs/dbraw/zinc/64/80/89/847648089.db2.gz GLECZSSJACJRDD-IEBWSBKVSA-N 2 2 398.526 3.758 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc(C(F)F)c3)CC2)CC1 ZINC000421058517 847652082 /nfs/dbraw/zinc/65/20/82/847652082.db2.gz VULBUJRFENDYLZ-UHFFFAOYSA-N 2 2 380.483 3.648 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc(C(F)F)c3)CC2)CC1 ZINC000421058517 847652087 /nfs/dbraw/zinc/65/20/87/847652087.db2.gz VULBUJRFENDYLZ-UHFFFAOYSA-N 2 2 380.483 3.648 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(Cl)c(F)c3)CC2)CC1 ZINC000421041184 847654370 /nfs/dbraw/zinc/65/43/70/847654370.db2.gz AGLHYJLXJCYZRV-UHFFFAOYSA-N 2 2 382.911 3.503 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(Cl)c(F)c3)CC2)CC1 ZINC000421041184 847654372 /nfs/dbraw/zinc/65/43/72/847654372.db2.gz AGLHYJLXJCYZRV-UHFFFAOYSA-N 2 2 382.911 3.503 20 0 GHADLP CCOc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503380779 847654483 /nfs/dbraw/zinc/65/44/83/847654483.db2.gz YLKHLCZSBXZRIR-GOSISDBHSA-N 2 2 396.535 3.826 20 0 GHADLP CCOc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503380779 847654490 /nfs/dbraw/zinc/65/44/90/847654490.db2.gz YLKHLCZSBXZRIR-GOSISDBHSA-N 2 2 396.535 3.826 20 0 GHADLP COCCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1OC ZINC000502301260 847711577 /nfs/dbraw/zinc/71/15/77/847711577.db2.gz OICGPAPNWNCIRS-IBGZPJMESA-N 2 2 399.535 3.633 20 0 GHADLP COCCOc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1OC ZINC000502301260 847711581 /nfs/dbraw/zinc/71/15/81/847711581.db2.gz OICGPAPNWNCIRS-IBGZPJMESA-N 2 2 399.535 3.633 20 0 GHADLP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502321334 847734223 /nfs/dbraw/zinc/73/42/23/847734223.db2.gz XMRCZTHEJSKIOV-IEBWSBKVSA-N 2 2 397.519 3.539 20 0 GHADLP COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502321334 847734228 /nfs/dbraw/zinc/73/42/28/847734228.db2.gz XMRCZTHEJSKIOV-IEBWSBKVSA-N 2 2 397.519 3.539 20 0 GHADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422698036 847771130 /nfs/dbraw/zinc/77/11/30/847771130.db2.gz XHSQYUKJRFHOCR-PKOBYXMFSA-N 2 2 385.508 3.519 20 0 GHADLP COc1ccc([C@H]([NH2+]CCCc2ccc(OC)c(OC)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422720251 847795706 /nfs/dbraw/zinc/79/57/06/847795706.db2.gz MKCGDWTYZKLDTM-REWPJTCUSA-N 2 2 384.520 3.728 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCCSc1ccccc1Br ZINC000422749975 847810279 /nfs/dbraw/zinc/81/02/79/847810279.db2.gz BQLFUHSITPCYMM-HUUCEWRRSA-N 2 2 387.387 3.678 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CCN(c3ccccc3OC)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422841689 847863028 /nfs/dbraw/zinc/86/30/28/847863028.db2.gz WOVBJQMFDAXDKG-URXFXBBRSA-N 2 2 395.547 3.756 20 0 GHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422901281 847878489 /nfs/dbraw/zinc/87/84/89/847878489.db2.gz RVCDBCXPFWSJHC-UKILVPOCSA-N 3 2 391.559 3.805 20 0 GHADLP Clc1ccc([C@@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C2CCCC2)cc1 ZINC000684957100 847894195 /nfs/dbraw/zinc/89/41/95/847894195.db2.gz NYXQDEOFBUPNPF-YADHBBJMSA-N 2 2 391.987 3.567 20 0 GHADLP COc1cc(C)c(C[C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1OC ZINC000502433912 847900488 /nfs/dbraw/zinc/90/04/88/847900488.db2.gz JVYWEJORKLNABQ-YLJYHZDGSA-N 2 2 398.551 3.591 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000423050362 847954031 /nfs/dbraw/zinc/95/40/31/847954031.db2.gz LRHPLVQQDHXHDH-KBRIMQKVSA-N 2 2 375.513 3.683 20 0 GHADLP COC(=O)c1oc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1C ZINC000582693400 848050920 /nfs/dbraw/zinc/05/09/20/848050920.db2.gz ZAGJXQPVUISFKS-INIZCTEOSA-N 2 2 376.522 3.698 20 0 GHADLP COC(=O)c1oc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1C ZINC000582693400 848050929 /nfs/dbraw/zinc/05/09/29/848050929.db2.gz ZAGJXQPVUISFKS-INIZCTEOSA-N 2 2 376.522 3.698 20 0 GHADLP COC(=O)c1oc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1C ZINC000582693400 848050935 /nfs/dbraw/zinc/05/09/35/848050935.db2.gz ZAGJXQPVUISFKS-INIZCTEOSA-N 2 2 376.522 3.698 20 0 GHADLP COC(=O)c1oc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1C ZINC000582693400 848050938 /nfs/dbraw/zinc/05/09/38/848050938.db2.gz ZAGJXQPVUISFKS-INIZCTEOSA-N 2 2 376.522 3.698 20 0 GHADLP c1ccc(C[NH+]2CCC3(CCN(c4cc(NCC5CC5)[nH+]cn4)C3)CC2)cc1 ZINC000431473228 848070201 /nfs/dbraw/zinc/07/02/01/848070201.db2.gz RFSWUAAZSIBEES-UHFFFAOYSA-N 2 2 377.536 3.791 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000192253236 861871893 /nfs/dbraw/zinc/87/18/93/861871893.db2.gz ROMKVRNMQRJIBT-OAQYLSRUSA-N 2 2 382.552 3.596 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000192253236 861871914 /nfs/dbraw/zinc/87/19/14/861871914.db2.gz ROMKVRNMQRJIBT-OAQYLSRUSA-N 2 2 382.552 3.596 20 0 GHADLP COc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1OC1CC1 ZINC000628157718 848381752 /nfs/dbraw/zinc/38/17/52/848381752.db2.gz RSDKTJGFPCHCTB-UHFFFAOYSA-N 2 2 395.547 3.770 20 0 GHADLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1OC1CC1 ZINC000628157718 848381760 /nfs/dbraw/zinc/38/17/60/848381760.db2.gz RSDKTJGFPCHCTB-UHFFFAOYSA-N 2 2 395.547 3.770 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC(C)(C)CCc4ccccc43)C2)CC1 ZINC000685049615 848687304 /nfs/dbraw/zinc/68/73/04/848687304.db2.gz YKPZIAQYXWHLIT-SIKLNZKXSA-N 2 2 398.595 3.558 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CC(C)(C)CCc4ccccc43)C2)CC1 ZINC000685049615 848687311 /nfs/dbraw/zinc/68/73/11/848687311.db2.gz YKPZIAQYXWHLIT-SIKLNZKXSA-N 2 2 398.595 3.558 20 0 GHADLP CCC(CC)[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000604178030 861935830 /nfs/dbraw/zinc/93/58/30/861935830.db2.gz DIEBPUOKZUOTLU-YLJYHZDGSA-N 2 2 392.613 3.693 20 0 GHADLP CCC(CC)[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000604178030 861935835 /nfs/dbraw/zinc/93/58/35/861935835.db2.gz DIEBPUOKZUOTLU-YLJYHZDGSA-N 2 2 392.613 3.693 20 0 GHADLP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1cc2ccccc2o1 ZINC000472280471 849045276 /nfs/dbraw/zinc/04/52/76/849045276.db2.gz XSCGGQIJRHUQJF-RXVVDRJESA-N 2 2 391.515 3.644 20 0 GHADLP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000472280471 849045287 /nfs/dbraw/zinc/04/52/87/849045287.db2.gz XSCGGQIJRHUQJF-RXVVDRJESA-N 2 2 391.515 3.644 20 0 GHADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1cc2ccccc2o1 ZINC000472280471 849045297 /nfs/dbraw/zinc/04/52/97/849045297.db2.gz XSCGGQIJRHUQJF-RXVVDRJESA-N 2 2 391.515 3.644 20 0 GHADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1cc2ccccc2o1 ZINC000472280471 849045307 /nfs/dbraw/zinc/04/53/07/849045307.db2.gz XSCGGQIJRHUQJF-RXVVDRJESA-N 2 2 391.515 3.644 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cn(-c3ccc(Cl)cc3Cl)nn1)CCC2 ZINC000535942002 849180047 /nfs/dbraw/zinc/18/00/47/849180047.db2.gz DTGWLTIHMOHNQI-ZDUSSCGKSA-N 2 2 391.306 3.746 20 0 GHADLP CC(C)Cc1ccc([C@@H](CNC(=O)NCc2c[nH+]c3n2CCCC3)[NH+](C)C)cc1 ZINC000583281731 849527860 /nfs/dbraw/zinc/52/78/60/849527860.db2.gz GHELRLHSQIFFKH-OAQYLSRUSA-N 2 2 397.567 3.520 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000522545391 862036430 /nfs/dbraw/zinc/03/64/30/862036430.db2.gz PNIQMGBCMRNKLR-KSSFIOAISA-N 2 2 383.964 3.940 20 0 GHADLP Brc1ccc2oc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2c1 ZINC000657751854 849644720 /nfs/dbraw/zinc/64/47/20/849644720.db2.gz MDLAXOMQZQCLKD-MRXNPFEDSA-N 2 2 379.298 3.538 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CC(=O)Nc2cccc(C)c2C)cc1 ZINC000423340754 849874043 /nfs/dbraw/zinc/87/40/43/849874043.db2.gz TVYWDPBMTZGYGA-FHZYATBESA-N 2 2 395.547 3.764 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(Br)cc1Br ZINC000423387674 849896915 /nfs/dbraw/zinc/89/69/15/849896915.db2.gz HXALYQCNBRSDIY-BHDSKKPTSA-N 2 2 376.136 3.860 20 0 GHADLP COC[C@]1(C[NH2+][C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CCC[NH2+]1 ZINC000423443294 849919664 /nfs/dbraw/zinc/91/96/64/849919664.db2.gz WXWCBCYQVYAOBZ-LAUBAEHRSA-N 2 2 387.549 3.554 20 0 GHADLP COC[C@]1(C[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CCC[NH2+]1 ZINC000423439260 849931976 /nfs/dbraw/zinc/93/19/76/849931976.db2.gz VJPPJUARUDJCHR-OXJNMPFZSA-N 2 2 375.513 3.685 20 0 GHADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423531023 849959345 /nfs/dbraw/zinc/95/93/45/849959345.db2.gz PYJNIIGVJJBSMR-URLQWDBASA-N 2 2 391.437 3.768 20 0 GHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434988983 849976122 /nfs/dbraw/zinc/97/61/22/849976122.db2.gz YQEBLGNXANMNHH-UHFFFAOYSA-N 2 2 381.307 3.555 20 0 GHADLP CC[N@H+](C)[C@H](c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)c1ccccc1 ZINC000504223254 849978026 /nfs/dbraw/zinc/97/80/26/849978026.db2.gz NZVOXGKNCQIFMN-NRFANRHFSA-N 2 2 392.503 3.610 20 0 GHADLP CC[N@@H+](C)[C@H](c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)c1ccccc1 ZINC000504223254 849978034 /nfs/dbraw/zinc/97/80/34/849978034.db2.gz NZVOXGKNCQIFMN-NRFANRHFSA-N 2 2 392.503 3.610 20 0 GHADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccco1 ZINC000425309024 850261614 /nfs/dbraw/zinc/26/16/14/850261614.db2.gz WHTZUFDIJGECMU-UHOSZYNNSA-N 2 2 380.492 3.770 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1c(Br)cnn1C ZINC000486937862 850280561 /nfs/dbraw/zinc/28/05/61/850280561.db2.gz HXJRPORZEWGRAB-OAHLLOKOSA-N 2 2 391.357 3.847 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1c(Br)cnn1C ZINC000486937862 850280571 /nfs/dbraw/zinc/28/05/71/850280571.db2.gz HXJRPORZEWGRAB-OAHLLOKOSA-N 2 2 391.357 3.847 20 0 GHADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Br)ccc1OCc1ccccn1 ZINC000435374415 850423348 /nfs/dbraw/zinc/42/33/48/850423348.db2.gz ITKNSALEMHTLKT-GJZGRUSLSA-N 2 2 390.325 3.592 20 0 GHADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Br)ccc1OCc1ccccn1 ZINC000435374415 850423353 /nfs/dbraw/zinc/42/33/53/850423353.db2.gz ITKNSALEMHTLKT-GJZGRUSLSA-N 2 2 390.325 3.592 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC4(CCC4)[C@H]3C3CCOCC3)sc2C1 ZINC000425373880 850466220 /nfs/dbraw/zinc/46/62/20/850466220.db2.gz QQQHWLRYQGMTLD-HXUWFJFHSA-N 2 2 375.582 3.691 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC4(CCC4)[C@H]3C3CCOCC3)sc2C1 ZINC000425373880 850466223 /nfs/dbraw/zinc/46/62/23/850466223.db2.gz QQQHWLRYQGMTLD-HXUWFJFHSA-N 2 2 375.582 3.691 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC4(CCC4)[C@H]3C3CCOCC3)sc2C1 ZINC000425373880 850466227 /nfs/dbraw/zinc/46/62/27/850466227.db2.gz QQQHWLRYQGMTLD-HXUWFJFHSA-N 2 2 375.582 3.691 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC4(CCC4)[C@H]3C3CCOCC3)sc2C1 ZINC000425373880 850466230 /nfs/dbraw/zinc/46/62/30/850466230.db2.gz QQQHWLRYQGMTLD-HXUWFJFHSA-N 2 2 375.582 3.691 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OC(F)F)c(Br)c2)CC[N@@H+]1C ZINC000180424189 862132121 /nfs/dbraw/zinc/13/21/21/862132121.db2.gz YPWIETHUNVZJOE-WCQYABFASA-N 2 2 377.273 3.965 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OC(F)F)c(Br)c2)CC[N@H+]1C ZINC000180424189 862132127 /nfs/dbraw/zinc/13/21/27/862132127.db2.gz YPWIETHUNVZJOE-WCQYABFASA-N 2 2 377.273 3.965 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(OC(F)F)c(Br)c2)CC[NH+]1C ZINC000180424189 862132133 /nfs/dbraw/zinc/13/21/33/862132133.db2.gz YPWIETHUNVZJOE-WCQYABFASA-N 2 2 377.273 3.965 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OC(F)F)c(Br)c2)CC[NH+]1C ZINC000180424189 862132138 /nfs/dbraw/zinc/13/21/38/862132138.db2.gz YPWIETHUNVZJOE-WCQYABFASA-N 2 2 377.273 3.965 20 0 GHADLP Cn1ccnc1C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435424745 850504936 /nfs/dbraw/zinc/50/49/36/850504936.db2.gz AIOLLBFRXRBBKV-KRWDZBQOSA-N 2 2 378.442 3.583 20 0 GHADLP Cn1ccnc1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435424745 850504943 /nfs/dbraw/zinc/50/49/43/850504943.db2.gz AIOLLBFRXRBBKV-KRWDZBQOSA-N 2 2 378.442 3.583 20 0 GHADLP CC[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435627815 850723355 /nfs/dbraw/zinc/72/33/55/850723355.db2.gz ORUYFPWELIWCGW-CYBMUJFWSA-N 2 2 377.838 3.761 20 0 GHADLP CC[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435627815 850723361 /nfs/dbraw/zinc/72/33/61/850723361.db2.gz ORUYFPWELIWCGW-CYBMUJFWSA-N 2 2 377.838 3.761 20 0 GHADLP COC(=O)c1ccc(Br)cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000513960411 851045779 /nfs/dbraw/zinc/04/57/79/851045779.db2.gz HHMLQWUYHLXOOU-UHFFFAOYSA-N 2 2 395.341 3.544 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(OCC(F)F)cc2)cc1 ZINC000414876061 851064046 /nfs/dbraw/zinc/06/40/46/851064046.db2.gz CVOOSNCGEVZECC-PMACEKPBSA-N 2 2 376.447 3.574 20 0 GHADLP COC(=O)[C@H](CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000425444815 851096647 /nfs/dbraw/zinc/09/66/47/851096647.db2.gz OEFHEADMBXHQHP-PZJWPPBQSA-N 2 2 381.520 3.746 20 0 GHADLP COC(=O)[C@H](CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000425444815 851096660 /nfs/dbraw/zinc/09/66/60/851096660.db2.gz OEFHEADMBXHQHP-PZJWPPBQSA-N 2 2 381.520 3.746 20 0 GHADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000519505764 851160705 /nfs/dbraw/zinc/16/07/05/851160705.db2.gz ZGNMGUGGSMSYDJ-UHFFFAOYSA-N 2 2 394.563 3.550 20 0 GHADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000519505764 851160711 /nfs/dbraw/zinc/16/07/11/851160711.db2.gz ZGNMGUGGSMSYDJ-UHFFFAOYSA-N 2 2 394.563 3.550 20 0 GHADLP C[C@@]1(CNC2CC[NH+](Cc3ccccn3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000187702507 851226529 /nfs/dbraw/zinc/22/65/29/851226529.db2.gz KCKKFQBVLLNFMI-DEOSSOPVSA-N 2 2 378.564 3.690 20 0 GHADLP C[C@@]1(CNC2CC[NH+](Cc3ccccn3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000187702507 851226532 /nfs/dbraw/zinc/22/65/32/851226532.db2.gz KCKKFQBVLLNFMI-DEOSSOPVSA-N 2 2 378.564 3.690 20 0 GHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000414847663 851301161 /nfs/dbraw/zinc/30/11/61/851301161.db2.gz PBYGWZYRKUTDJN-HXUWFJFHSA-N 2 2 392.503 3.761 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000438183457 852099306 /nfs/dbraw/zinc/09/93/06/852099306.db2.gz JMVJDXWYBCCSHH-DYESRHJHSA-N 2 2 382.504 3.625 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000438183457 852099311 /nfs/dbraw/zinc/09/93/11/852099311.db2.gz JMVJDXWYBCCSHH-DYESRHJHSA-N 2 2 382.504 3.625 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000489358132 852265969 /nfs/dbraw/zinc/26/59/69/852265969.db2.gz MRHYAXZHUKLHQF-SCCNAQOGSA-N 2 2 386.584 3.703 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000489358132 852265979 /nfs/dbraw/zinc/26/59/79/852265979.db2.gz MRHYAXZHUKLHQF-SCCNAQOGSA-N 2 2 386.584 3.703 20 0 GHADLP FC(F)(F)c1cccnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167983888 852272779 /nfs/dbraw/zinc/27/27/79/852272779.db2.gz KWFTYEIFVBWDKT-JWTNVVGKSA-N 2 2 394.485 3.628 20 0 GHADLP FC(F)(F)c1cccnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167983888 852272790 /nfs/dbraw/zinc/27/27/90/852272790.db2.gz KWFTYEIFVBWDKT-JWTNVVGKSA-N 2 2 394.485 3.628 20 0 GHADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425676919 852618555 /nfs/dbraw/zinc/61/85/55/852618555.db2.gz UDXNXZYYBWFKQM-KRWDZBQOSA-N 2 2 381.524 3.882 20 0 GHADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3CCn4cc[nH+]c4C3)c2c1C ZINC000489901219 852634147 /nfs/dbraw/zinc/63/41/47/852634147.db2.gz WIYZYYPRXZCWGO-OAHLLOKOSA-N 2 2 382.537 3.527 20 0 GHADLP Cc1noc(C2CCC([NH2+]CC3([NH+]4CCSCC4)CCCCC3)CC2)n1 ZINC000438845572 852942281 /nfs/dbraw/zinc/94/22/81/852942281.db2.gz ZSKJJHWOPOQHLP-UHFFFAOYSA-N 2 2 378.586 3.746 20 0 GHADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)c1ccco1 ZINC000509573768 852980002 /nfs/dbraw/zinc/98/00/02/852980002.db2.gz YLQVGWILQOEISS-RDJZCZTQSA-N 2 2 388.512 3.571 20 0 GHADLP CC(C)[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167986233 852999118 /nfs/dbraw/zinc/99/91/18/852999118.db2.gz BFNIMCUYWYTLJK-JKWVGCSGSA-N 2 2 391.600 3.969 20 0 GHADLP CC(C)[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167986233 852999122 /nfs/dbraw/zinc/99/91/22/852999122.db2.gz BFNIMCUYWYTLJK-JKWVGCSGSA-N 2 2 391.600 3.969 20 0 GHADLP CC(C)[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167986233 852999126 /nfs/dbraw/zinc/99/91/26/852999126.db2.gz BFNIMCUYWYTLJK-JKWVGCSGSA-N 2 2 391.600 3.969 20 0 GHADLP CC(C)[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167986233 852999130 /nfs/dbraw/zinc/99/91/30/852999130.db2.gz BFNIMCUYWYTLJK-JKWVGCSGSA-N 2 2 391.600 3.969 20 0 GHADLP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000427440020 853113450 /nfs/dbraw/zinc/11/34/50/853113450.db2.gz WYRAUJJKIIUMLA-UHFFFAOYSA-N 2 2 382.430 3.609 20 0 GHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623851604 862468692 /nfs/dbraw/zinc/46/86/92/862468692.db2.gz COJUFNQUUMQOAP-FXAWDEMLSA-N 2 2 387.549 3.622 20 0 GHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623851604 862468697 /nfs/dbraw/zinc/46/86/97/862468697.db2.gz COJUFNQUUMQOAP-FXAWDEMLSA-N 2 2 387.549 3.622 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623864476 862464879 /nfs/dbraw/zinc/46/48/79/862464879.db2.gz PQGUFXPDWAHNQE-HSQYWUDLSA-N 2 2 399.560 3.765 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623864476 862464881 /nfs/dbraw/zinc/46/48/81/862464881.db2.gz PQGUFXPDWAHNQE-HSQYWUDLSA-N 2 2 399.560 3.765 20 0 GHADLP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000491088992 853446929 /nfs/dbraw/zinc/44/69/29/853446929.db2.gz LOAIYKFDQOXQRC-HXUWFJFHSA-N 2 2 382.527 3.563 20 0 GHADLP Cc1ccc(F)cc1C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000491088992 853446930 /nfs/dbraw/zinc/44/69/30/853446930.db2.gz LOAIYKFDQOXQRC-HXUWFJFHSA-N 2 2 382.527 3.563 20 0 GHADLP C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000414912173 853462141 /nfs/dbraw/zinc/46/21/41/853462141.db2.gz VGFFEQZITBJUKX-BRWVUGGUSA-N 2 2 382.508 3.960 20 0 GHADLP C[NH+](C)CCC[C@@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CCO1 ZINC000664656518 853499953 /nfs/dbraw/zinc/49/99/53/853499953.db2.gz HIOULASCDZJYIS-CYBMUJFWSA-N 2 2 396.304 3.683 20 0 GHADLP CC[N@H+](Cc1cc(OC)ccn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440699083 853538373 /nfs/dbraw/zinc/53/83/73/853538373.db2.gz RVDVHANVCTXPEM-UHFFFAOYSA-N 2 2 383.540 3.803 20 0 GHADLP CC[N@@H+](Cc1cc(OC)ccn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440699083 853538381 /nfs/dbraw/zinc/53/83/81/853538381.db2.gz RVDVHANVCTXPEM-UHFFFAOYSA-N 2 2 383.540 3.803 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC(C)(C)[NH+]2CCCCC2)c(C)c1 ZINC000440808586 853653750 /nfs/dbraw/zinc/65/37/50/853653750.db2.gz MSYIZQUZWDIIRB-NRFANRHFSA-N 2 2 397.567 3.805 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168378526 853800862 /nfs/dbraw/zinc/80/08/62/853800862.db2.gz WJXVPFXNHQPWLN-XMMPIXPASA-N 3 2 397.607 3.616 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168378526 853800867 /nfs/dbraw/zinc/80/08/67/853800867.db2.gz WJXVPFXNHQPWLN-XMMPIXPASA-N 3 2 397.607 3.616 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623890507 862503782 /nfs/dbraw/zinc/50/37/82/862503782.db2.gz OBSYCPWCLQAPNM-DYESRHJHSA-N 2 2 399.560 3.622 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623890507 862503785 /nfs/dbraw/zinc/50/37/85/862503785.db2.gz OBSYCPWCLQAPNM-DYESRHJHSA-N 2 2 399.560 3.622 20 0 GHADLP CC1CC[NH+](C[C@@H]2CCCN(c3nc(N4Cc5ccccc5C4)cc[nH+]3)C2)CC1 ZINC000623912140 862514740 /nfs/dbraw/zinc/51/47/40/862514740.db2.gz ZWQLXZDOVIGTIO-FQEVSTJZSA-N 2 2 391.563 3.945 20 0 GHADLP CC(C)C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000441405715 854201365 /nfs/dbraw/zinc/20/13/65/854201365.db2.gz PWENRCHXWYEZFA-PUHATCMVSA-N 2 2 383.580 3.839 20 0 GHADLP CC(C)C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000441405715 854201372 /nfs/dbraw/zinc/20/13/72/854201372.db2.gz PWENRCHXWYEZFA-PUHATCMVSA-N 2 2 383.580 3.839 20 0 GHADLP CC(C)C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000441405715 854201378 /nfs/dbraw/zinc/20/13/78/854201378.db2.gz PWENRCHXWYEZFA-PUHATCMVSA-N 2 2 383.580 3.839 20 0 GHADLP CC(C)C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000441405715 854201382 /nfs/dbraw/zinc/20/13/82/854201382.db2.gz PWENRCHXWYEZFA-PUHATCMVSA-N 2 2 383.580 3.839 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cn2ccccc2n1 ZINC000572016613 854335036 /nfs/dbraw/zinc/33/50/36/854335036.db2.gz ZVLMCLDFFKAKHB-OTWHNJEPSA-N 2 2 378.520 3.794 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cn2ccccc2n1 ZINC000572016613 854335044 /nfs/dbraw/zinc/33/50/44/854335044.db2.gz ZVLMCLDFFKAKHB-OTWHNJEPSA-N 2 2 378.520 3.794 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(Br)cc1 ZINC000588687350 854359214 /nfs/dbraw/zinc/35/92/14/854359214.db2.gz DSKMYYHRPSJZNF-DNVCBOLYSA-N 2 2 377.326 3.593 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(Br)cc1 ZINC000588687350 854359219 /nfs/dbraw/zinc/35/92/19/854359219.db2.gz DSKMYYHRPSJZNF-DNVCBOLYSA-N 2 2 377.326 3.593 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156833039 854403342 /nfs/dbraw/zinc/40/33/42/854403342.db2.gz GWFUFZREKSFDIZ-IFXJQAMLSA-N 2 2 399.878 3.681 20 0 GHADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000481964295 862571158 /nfs/dbraw/zinc/57/11/58/862571158.db2.gz DKVMYKAEJSELEY-ROUUACIJSA-N 2 2 395.613 3.679 20 0 GHADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000572474361 854514668 /nfs/dbraw/zinc/51/46/68/854514668.db2.gz KIJGTDMLONQDEL-UGKGYDQZSA-N 2 2 394.563 3.872 20 0 GHADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc2ccccc21 ZINC000671768582 854582187 /nfs/dbraw/zinc/58/21/87/854582187.db2.gz IZHYPYMPFYBWFS-CRHVVPOVSA-N 2 2 379.548 3.964 20 0 GHADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc2ccccc21 ZINC000671768582 854582199 /nfs/dbraw/zinc/58/21/99/854582199.db2.gz IZHYPYMPFYBWFS-CRHVVPOVSA-N 2 2 379.548 3.964 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000536303220 854684973 /nfs/dbraw/zinc/68/49/73/854684973.db2.gz VIBOXSANBWKEPW-ROUUACIJSA-N 2 2 384.351 3.513 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000536303220 854684979 /nfs/dbraw/zinc/68/49/79/854684979.db2.gz VIBOXSANBWKEPW-ROUUACIJSA-N 2 2 384.351 3.513 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(Cl)sc1Cl ZINC000482008669 862603921 /nfs/dbraw/zinc/60/39/21/862603921.db2.gz MPODBYQRZVZYSO-AAEUAGOBSA-N 2 2 378.369 3.648 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(Cl)sc1Cl ZINC000482008669 862603931 /nfs/dbraw/zinc/60/39/31/862603931.db2.gz MPODBYQRZVZYSO-AAEUAGOBSA-N 2 2 378.369 3.648 20 0 GHADLP Cc1ccccc1C[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001128011915 854825079 /nfs/dbraw/zinc/82/50/79/854825079.db2.gz UVSMDOKTHRMCTF-TUACAJSNSA-N 2 2 399.623 3.969 20 0 GHADLP Cc1ccccc1C[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001128011915 854825084 /nfs/dbraw/zinc/82/50/84/854825084.db2.gz UVSMDOKTHRMCTF-TUACAJSNSA-N 2 2 399.623 3.969 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000482032686 862627416 /nfs/dbraw/zinc/62/74/16/862627416.db2.gz PQLUZQSVAGGDIC-IRXDYDNUSA-N 2 2 384.351 3.513 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000482032686 862627420 /nfs/dbraw/zinc/62/74/20/862627420.db2.gz PQLUZQSVAGGDIC-IRXDYDNUSA-N 2 2 384.351 3.513 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1cccc2ccccc21 ZINC000536368025 855151708 /nfs/dbraw/zinc/15/17/08/855151708.db2.gz DUHPUHFQDXIAMP-SFHVURJKSA-N 2 2 388.515 3.989 20 0 GHADLP CC[N@H+](C)[C@@H](C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000589993850 855218261 /nfs/dbraw/zinc/21/82/61/855218261.db2.gz VZSUKURZOLZBAP-JOCHJYFZSA-N 2 2 383.511 3.553 20 0 GHADLP CC[N@@H+](C)[C@@H](C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000589993850 855218273 /nfs/dbraw/zinc/21/82/73/855218273.db2.gz VZSUKURZOLZBAP-JOCHJYFZSA-N 2 2 383.511 3.553 20 0 GHADLP CC[NH+](C)[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000589993850 855218278 /nfs/dbraw/zinc/21/82/78/855218278.db2.gz VZSUKURZOLZBAP-JOCHJYFZSA-N 2 2 383.511 3.553 20 0 GHADLP CC[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000589993850 855218283 /nfs/dbraw/zinc/21/82/83/855218283.db2.gz VZSUKURZOLZBAP-JOCHJYFZSA-N 2 2 383.511 3.553 20 0 GHADLP Cc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+](C)CCCn3cc[nH+]c3)n2)cc1 ZINC000181114006 862757055 /nfs/dbraw/zinc/75/70/55/862757055.db2.gz YVYAKDQTXZHKEA-MRXNPFEDSA-N 2 2 383.521 3.664 20 0 GHADLP Cc1ccc(-c2csc(NC(=O)[C@@H](C)[N@@H+](C)CCCn3cc[nH+]c3)n2)cc1 ZINC000181114006 862757057 /nfs/dbraw/zinc/75/70/57/862757057.db2.gz YVYAKDQTXZHKEA-MRXNPFEDSA-N 2 2 383.521 3.664 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000499425591 856133782 /nfs/dbraw/zinc/13/37/82/856133782.db2.gz CXJBWPJYCBLXHQ-PMACEKPBSA-N 2 2 388.515 3.666 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000499425591 856133788 /nfs/dbraw/zinc/13/37/88/856133788.db2.gz CXJBWPJYCBLXHQ-PMACEKPBSA-N 2 2 388.515 3.666 20 0 GHADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccco1 ZINC000485245361 856258296 /nfs/dbraw/zinc/25/82/96/856258296.db2.gz MMDSAFKHOPGPKC-YJBOKZPZSA-N 2 2 399.470 3.533 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1c[nH+]cn1C ZINC000573634750 856363911 /nfs/dbraw/zinc/36/39/11/856363911.db2.gz PLJQCNNMJRQHCU-UHFFFAOYSA-N 2 2 397.350 3.640 20 0 GHADLP c1ccc([C@@H]2C[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CCS2)cc1 ZINC000671682054 856364581 /nfs/dbraw/zinc/36/45/81/856364581.db2.gz CVTSBXHSTXYZAZ-QHCPKHFHSA-N 2 2 381.589 3.989 20 0 GHADLP c1ccc([C@@H]2C[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CCS2)cc1 ZINC000671682054 856364585 /nfs/dbraw/zinc/36/45/85/856364585.db2.gz CVTSBXHSTXYZAZ-QHCPKHFHSA-N 2 2 381.589 3.989 20 0 GHADLP C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485414036 856459916 /nfs/dbraw/zinc/45/99/16/856459916.db2.gz NUEMEPOEAGEWQF-HARLFGEKSA-N 2 2 377.532 3.507 20 0 GHADLP C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485414036 856459921 /nfs/dbraw/zinc/45/99/21/856459921.db2.gz NUEMEPOEAGEWQF-HARLFGEKSA-N 2 2 377.532 3.507 20 0 GHADLP COc1ccc([C@H]2C[C@H](N(c3cc[nH+]cc3F)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168676538 856592213 /nfs/dbraw/zinc/59/22/13/856592213.db2.gz NOQLNVDLAWLGSU-XMSQKQJNSA-N 2 2 385.483 3.708 20 0 GHADLP CCOc1ccc([C@@H](CO)[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC001168010576 856744996 /nfs/dbraw/zinc/74/49/96/856744996.db2.gz KEKIGPQKVLNKAG-JBYIUTFZSA-N 2 2 383.536 3.545 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000181340839 862841247 /nfs/dbraw/zinc/84/12/47/862841247.db2.gz JZOJWFYQWZRQPG-KDOFPFPSSA-N 2 2 395.334 3.662 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000181340839 862841269 /nfs/dbraw/zinc/84/12/69/862841269.db2.gz JZOJWFYQWZRQPG-KDOFPFPSSA-N 2 2 395.334 3.662 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000427897501 856833297 /nfs/dbraw/zinc/83/32/97/856833297.db2.gz RJCPPSKVMVRMRC-AUSIDOKSSA-N 2 2 375.520 3.973 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000427897501 856833310 /nfs/dbraw/zinc/83/33/10/856833310.db2.gz RJCPPSKVMVRMRC-AUSIDOKSSA-N 2 2 375.520 3.973 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000665253008 857017645 /nfs/dbraw/zinc/01/76/45/857017645.db2.gz CXCYYMLQMRAGGJ-ITEAAPOESA-N 2 2 396.510 3.906 20 0 GHADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCN(c3ccc(F)cc3F)CC2)c1 ZINC000665253957 857033431 /nfs/dbraw/zinc/03/34/31/857033431.db2.gz DNSYHDDUTZBTAN-FPOVZHCZSA-N 2 2 389.465 3.808 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000057376090 857194998 /nfs/dbraw/zinc/19/49/98/857194998.db2.gz HIXYHWSYNYHUQM-BGYRXZFFSA-N 2 2 397.567 3.641 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000057376090 857195001 /nfs/dbraw/zinc/19/50/01/857195001.db2.gz HIXYHWSYNYHUQM-BGYRXZFFSA-N 2 2 397.567 3.641 20 0 GHADLP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658293704 857255741 /nfs/dbraw/zinc/25/57/41/857255741.db2.gz IXMXORVOVPDZCF-SJLPKXTDSA-N 2 2 395.341 3.506 20 0 GHADLP Brc1cccc2c1OCCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294210 857257450 /nfs/dbraw/zinc/25/74/50/857257450.db2.gz MHHRXCOMHRPCIV-YJBOKZPZSA-N 2 2 395.341 3.506 20 0 GHADLP O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000766127967 857342497 /nfs/dbraw/zinc/34/24/97/857342497.db2.gz GVGWVTUSTJPWRH-UEVCKROQSA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000766127967 857342511 /nfs/dbraw/zinc/34/25/11/857342511.db2.gz GVGWVTUSTJPWRH-UEVCKROQSA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000766127967 857342517 /nfs/dbraw/zinc/34/25/17/857342517.db2.gz GVGWVTUSTJPWRH-UEVCKROQSA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000766127967 857342528 /nfs/dbraw/zinc/34/25/28/857342528.db2.gz GVGWVTUSTJPWRH-UEVCKROQSA-N 2 2 386.486 3.985 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1CCC(C(C)(C)C)CC1 ZINC000486089806 857416333 /nfs/dbraw/zinc/41/63/33/857416333.db2.gz OPFNYYKEYCGOLC-UHFFFAOYSA-N 2 2 380.621 3.506 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1CCC(C(C)(C)C)CC1 ZINC000486089806 857416338 /nfs/dbraw/zinc/41/63/38/857416338.db2.gz OPFNYYKEYCGOLC-UHFFFAOYSA-N 2 2 380.621 3.506 20 0 GHADLP CC(C)[C@@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000675709456 857572424 /nfs/dbraw/zinc/57/24/24/857572424.db2.gz GLNZRBIAFWTTMU-HSZRJFAPSA-N 2 2 398.595 3.510 20 0 GHADLP CN(C(=O)CC1CCC(C(C)(C)C)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675792516 857615448 /nfs/dbraw/zinc/61/54/48/857615448.db2.gz IOLPYBBWDNFVMB-GZNCHQMQSA-N 2 2 377.617 3.856 20 0 GHADLP CN(C(=O)CC1CCC(C(C)(C)C)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675792516 857615450 /nfs/dbraw/zinc/61/54/50/857615450.db2.gz IOLPYBBWDNFVMB-GZNCHQMQSA-N 2 2 377.617 3.856 20 0 GHADLP CC1(C)CC(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC(C)(C)[NH2+]1 ZINC000130970932 857619735 /nfs/dbraw/zinc/61/97/35/857619735.db2.gz YVOKFECEDSLTNY-WOJBJXKFSA-N 2 2 395.551 3.720 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCC[NH+]2CCC(C)CC2)c(C)c1 ZINC000442243940 857649684 /nfs/dbraw/zinc/64/96/84/857649684.db2.gz SAWPITXITBBKOY-QFIPXVFZSA-N 2 2 397.567 3.662 20 0 GHADLP CC(C)CC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000675886302 857661074 /nfs/dbraw/zinc/66/10/74/857661074.db2.gz QQDNKLUPJPGKGI-YADHBBJMSA-N 2 2 394.003 3.813 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCC[NH2+]C2CCCCC2)c(C)c1 ZINC000442235249 857662521 /nfs/dbraw/zinc/66/25/21/857662521.db2.gz HTVCHNDUPJVQRX-JOCHJYFZSA-N 2 2 397.567 3.853 20 0 GHADLP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000574340032 857679860 /nfs/dbraw/zinc/67/98/60/857679860.db2.gz RKAOZGBDKIGGES-LQATUXICSA-N 2 2 380.479 3.878 20 0 GHADLP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000574340032 857679864 /nfs/dbraw/zinc/67/98/64/857679864.db2.gz RKAOZGBDKIGGES-LQATUXICSA-N 2 2 380.479 3.878 20 0 GHADLP CCC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668616573 857736335 /nfs/dbraw/zinc/73/63/35/857736335.db2.gz DNDSQGBDVASUPF-SFTDATJTSA-N 2 2 391.987 3.851 20 0 GHADLP CCC[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668616573 857736337 /nfs/dbraw/zinc/73/63/37/857736337.db2.gz DNDSQGBDVASUPF-SFTDATJTSA-N 2 2 391.987 3.851 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(CC[NH+](C)C)cc3)n2)C1 ZINC000521219912 857757492 /nfs/dbraw/zinc/75/74/92/857757492.db2.gz YLVJKGCEZABWGS-INIZCTEOSA-N 2 2 386.565 3.731 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(CC[NH+](C)C)cc3)n2)C1 ZINC000521219912 857757497 /nfs/dbraw/zinc/75/74/97/857757497.db2.gz YLVJKGCEZABWGS-INIZCTEOSA-N 2 2 386.565 3.731 20 0 GHADLP Cc1cn2cc(NC(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)ccc2[nH+]1 ZINC000574405677 857786586 /nfs/dbraw/zinc/78/65/86/857786586.db2.gz GUNJSUNWQDDDIP-UHFFFAOYSA-N 2 2 383.418 3.523 20 0 GHADLP CC(C)C[C@@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000166671498 857910984 /nfs/dbraw/zinc/91/09/84/857910984.db2.gz APVSXPBLHVQODL-JOCHJYFZSA-N 2 2 376.504 3.588 20 0 GHADLP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543061240 858140844 /nfs/dbraw/zinc/14/08/44/858140844.db2.gz RAUIPLVMQMOXAM-WOJBJXKFSA-N 2 2 382.552 3.950 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC[C@H]21 ZINC000428265336 858239907 /nfs/dbraw/zinc/23/99/07/858239907.db2.gz HVSZCHKCHCUADC-UYAOXDASSA-N 2 2 392.469 3.866 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC[C@H]21 ZINC000428265336 858239913 /nfs/dbraw/zinc/23/99/13/858239913.db2.gz HVSZCHKCHCUADC-UYAOXDASSA-N 2 2 392.469 3.866 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC[C@H]21 ZINC000428265336 858239919 /nfs/dbraw/zinc/23/99/19/858239919.db2.gz HVSZCHKCHCUADC-UYAOXDASSA-N 2 2 392.469 3.866 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC[C@H]21 ZINC000428265336 858239926 /nfs/dbraw/zinc/23/99/26/858239926.db2.gz HVSZCHKCHCUADC-UYAOXDASSA-N 2 2 392.469 3.866 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[NH+](C(C)(C)C)CC3)n2)C1 ZINC000521823501 858356448 /nfs/dbraw/zinc/35/64/48/858356448.db2.gz YOEZOBWNNGAVGX-INIZCTEOSA-N 2 2 393.601 3.713 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[NH+](C(C)(C)C)CC3)n2)C1 ZINC000521823501 858356458 /nfs/dbraw/zinc/35/64/58/858356458.db2.gz YOEZOBWNNGAVGX-INIZCTEOSA-N 2 2 393.601 3.713 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N3CCC[N@@H+](C(C)(C)C)CC3)n2)C1 ZINC000521823501 858356464 /nfs/dbraw/zinc/35/64/64/858356464.db2.gz YOEZOBWNNGAVGX-INIZCTEOSA-N 2 2 393.601 3.713 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N3CCC[N@H+](C(C)(C)C)CC3)n2)C1 ZINC000521823501 858356475 /nfs/dbraw/zinc/35/64/75/858356475.db2.gz YOEZOBWNNGAVGX-INIZCTEOSA-N 2 2 393.601 3.713 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000281408800 863015538 /nfs/dbraw/zinc/01/55/38/863015538.db2.gz XPQDSXWXFPOEMG-UHFFFAOYSA-N 2 2 391.318 3.622 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000281408800 863015549 /nfs/dbraw/zinc/01/55/49/863015549.db2.gz XPQDSXWXFPOEMG-UHFFFAOYSA-N 2 2 391.318 3.622 20 0 GHADLP CCOC(=O)c1ccnc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168016379 858618507 /nfs/dbraw/zinc/61/85/07/858618507.db2.gz VOUZEJNBNQZUBX-ROUUACIJSA-N 2 2 381.520 3.790 20 0 GHADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)C1 ZINC000522147574 858670105 /nfs/dbraw/zinc/67/01/05/858670105.db2.gz QEFUXZXUBUQVTO-KNQAVFIVSA-N 2 2 397.950 3.525 20 0 GHADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)C1 ZINC000522147574 858670108 /nfs/dbraw/zinc/67/01/08/858670108.db2.gz QEFUXZXUBUQVTO-KNQAVFIVSA-N 2 2 397.950 3.525 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000596118208 858784234 /nfs/dbraw/zinc/78/42/34/858784234.db2.gz SGVFBBBBZJBLEZ-JRGCBEDISA-N 2 2 387.568 3.640 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000596118208 858784238 /nfs/dbraw/zinc/78/42/38/858784238.db2.gz SGVFBBBBZJBLEZ-JRGCBEDISA-N 2 2 387.568 3.640 20 0 GHADLP Cc1c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cnn1-c1cccc(Cl)c1 ZINC000482737913 858808540 /nfs/dbraw/zinc/80/85/40/858808540.db2.gz CLPQURZIMOHNSX-OXJNMPFZSA-N 2 2 390.959 3.578 20 0 GHADLP COc1ccc([C@@H](C[NH3+])C[NH+](Cc2cccc(C)n2)Cc2cccc(C)n2)cc1 ZINC000568096178 858924538 /nfs/dbraw/zinc/92/45/38/858924538.db2.gz SBGFTGKUFPLOJP-NRFANRHFSA-N 2 2 390.531 3.847 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000443547753 858927820 /nfs/dbraw/zinc/92/78/20/858927820.db2.gz DFLSOQHODYBADL-NPDDRXJXSA-N 2 2 392.632 3.934 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000443547753 858927821 /nfs/dbraw/zinc/92/78/21/858927821.db2.gz DFLSOQHODYBADL-NPDDRXJXSA-N 2 2 392.632 3.934 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000185211299 859057490 /nfs/dbraw/zinc/05/74/90/859057490.db2.gz NLMMQPUSMJZTQC-CQSZACIVSA-N 2 2 399.848 3.583 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000185659336 859112997 /nfs/dbraw/zinc/11/29/97/859112997.db2.gz GIXWFBZGLNLKIS-PMACEKPBSA-N 2 2 387.549 3.567 20 0 GHADLP CNc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000625929977 859177065 /nfs/dbraw/zinc/17/70/65/859177065.db2.gz DNMSUZYMHDENHB-LEWJYISDSA-N 2 2 387.572 3.529 20 0 GHADLP CNc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000625929977 859177071 /nfs/dbraw/zinc/17/70/71/859177071.db2.gz DNMSUZYMHDENHB-LEWJYISDSA-N 2 2 387.572 3.529 20 0 GHADLP CN(C(=O)Cc1ccc(-c2ccccc2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472892 859284579 /nfs/dbraw/zinc/28/45/79/859284579.db2.gz ZIMLKWHONBDMFM-DEOSSOPVSA-N 2 2 391.559 3.523 20 0 GHADLP CN(C(=O)Cc1ccc(-c2ccccc2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472892 859284584 /nfs/dbraw/zinc/28/45/84/859284584.db2.gz ZIMLKWHONBDMFM-DEOSSOPVSA-N 2 2 391.559 3.523 20 0 GHADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(S(C)(=O)=O)c(Cl)c3)CC2)C1 ZINC000429412915 859307051 /nfs/dbraw/zinc/30/70/51/859307051.db2.gz QVHDJPADVOSPQA-MAUKXSAKSA-N 2 2 399.000 3.876 20 0 GHADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000429416844 859313208 /nfs/dbraw/zinc/31/32/08/859313208.db2.gz LZWVYHISKQNCLX-BEFAXECRSA-N 2 2 399.000 3.876 20 0 GHADLP c1ccc(C[N@H+]2CCSC[C@@H]2CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000429430037 859355564 /nfs/dbraw/zinc/35/55/64/859355564.db2.gz ABTIYJVBHONNQP-QHCPKHFHSA-N 2 2 387.637 3.991 20 0 GHADLP c1ccc(C[N@@H+]2CCSC[C@@H]2CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000429430037 859355574 /nfs/dbraw/zinc/35/55/74/859355574.db2.gz ABTIYJVBHONNQP-QHCPKHFHSA-N 2 2 387.637 3.991 20 0 GHADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000509420537 859385044 /nfs/dbraw/zinc/38/50/44/859385044.db2.gz XLVJWQBCLJXWPE-INIZCTEOSA-N 2 2 375.513 3.834 20 0 GHADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000509420537 859385056 /nfs/dbraw/zinc/38/50/56/859385056.db2.gz XLVJWQBCLJXWPE-INIZCTEOSA-N 2 2 375.513 3.834 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N(C3CCCCC3)C3CCCCC3)CC[C@@H]21 ZINC000483482347 859404473 /nfs/dbraw/zinc/40/44/73/859404473.db2.gz AWFOHGYKNUEXRQ-KNQAVFIVSA-N 2 2 375.601 3.897 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N(C3CCCCC3)C3CCCCC3)CC[C@@H]21 ZINC000483482347 859404474 /nfs/dbraw/zinc/40/44/74/859404474.db2.gz AWFOHGYKNUEXRQ-KNQAVFIVSA-N 2 2 375.601 3.897 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)CC[C@@H]21 ZINC000483482347 859404478 /nfs/dbraw/zinc/40/44/78/859404478.db2.gz AWFOHGYKNUEXRQ-KNQAVFIVSA-N 2 2 375.601 3.897 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)CC[C@@H]21 ZINC000483482347 859404480 /nfs/dbraw/zinc/40/44/80/859404480.db2.gz AWFOHGYKNUEXRQ-KNQAVFIVSA-N 2 2 375.601 3.897 20 0 GHADLP CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000764457264 859454265 /nfs/dbraw/zinc/45/42/65/859454265.db2.gz JQTSSZMKDXKVFB-QHCPKHFHSA-N 2 2 385.596 3.853 20 0 GHADLP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000466745404 859464768 /nfs/dbraw/zinc/46/47/68/859464768.db2.gz ILYBUFNCOJWHDE-GOSISDBHSA-N 2 2 386.540 3.544 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000764571870 859507432 /nfs/dbraw/zinc/50/74/32/859507432.db2.gz LGFXNJDSOFMZMA-HZPDHXFCSA-N 2 2 384.505 3.656 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3csc(C4CC4)n3)C2)ccn1 ZINC000856558976 881432116 /nfs/dbraw/zinc/43/21/16/881432116.db2.gz CUMMRHOOYMKOGV-HXUWFJFHSA-N 2 2 386.565 3.909 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3csc(C4CC4)n3)C2)ccn1 ZINC000856558976 881432121 /nfs/dbraw/zinc/43/21/21/881432121.db2.gz CUMMRHOOYMKOGV-HXUWFJFHSA-N 2 2 386.565 3.909 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3csc(C4CC4)n3)C2)ccn1 ZINC000856558976 881432127 /nfs/dbraw/zinc/43/21/27/881432127.db2.gz CUMMRHOOYMKOGV-HXUWFJFHSA-N 2 2 386.565 3.909 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3csc(C4CC4)n3)C2)ccn1 ZINC000856558976 881432133 /nfs/dbraw/zinc/43/21/33/881432133.db2.gz CUMMRHOOYMKOGV-HXUWFJFHSA-N 2 2 386.565 3.909 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C2 ZINC000611270499 859675835 /nfs/dbraw/zinc/67/58/35/859675835.db2.gz GPRULGNIOMQYIB-UHFFFAOYSA-N 2 2 393.531 3.519 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C2 ZINC000611270499 859675840 /nfs/dbraw/zinc/67/58/40/859675840.db2.gz GPRULGNIOMQYIB-UHFFFAOYSA-N 2 2 393.531 3.519 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](c3ccc(F)cc3)c3cccnc3)[nH+]c2)C1 ZINC000543427082 859681074 /nfs/dbraw/zinc/68/10/74/859681074.db2.gz RWYZUCDTYGUQBB-FYYLOGMGSA-N 2 2 391.494 3.958 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3ncc4cc(OCc5ccccc5)ccc43)CC[C@@H]21 ZINC000765107430 859794146 /nfs/dbraw/zinc/79/41/46/859794146.db2.gz SUZJVQFDAWBNAV-REWPJTCUSA-N 2 2 390.531 3.989 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3ncc4cc(OCc5ccccc5)ccc43)CC[C@@H]21 ZINC000765107430 859794150 /nfs/dbraw/zinc/79/41/50/859794150.db2.gz SUZJVQFDAWBNAV-REWPJTCUSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3ncc4cc(OCc5ccccc5)ccc43)CC[C@@H]21 ZINC000765107430 859794154 /nfs/dbraw/zinc/79/41/54/859794154.db2.gz SUZJVQFDAWBNAV-REWPJTCUSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3ncc4cc(OCc5ccccc5)ccc43)CC[C@@H]21 ZINC000765107430 859794158 /nfs/dbraw/zinc/79/41/58/859794158.db2.gz SUZJVQFDAWBNAV-REWPJTCUSA-N 2 2 390.531 3.989 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(OC(F)(F)F)c1 ZINC000484142645 859830277 /nfs/dbraw/zinc/83/02/77/859830277.db2.gz SNNCADVMCUXXEB-OXQOHEQNSA-N 2 2 394.437 3.873 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC(F)(F)F)c1 ZINC000484142645 859830287 /nfs/dbraw/zinc/83/02/87/859830287.db2.gz SNNCADVMCUXXEB-OXQOHEQNSA-N 2 2 394.437 3.873 20 0 GHADLP CC(=O)CCCCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000765198080 859831834 /nfs/dbraw/zinc/83/18/34/859831834.db2.gz VHKGJYDJNSNEEH-FCHUYYIVSA-N 2 2 393.616 3.712 20 0 GHADLP CC(=O)CCCCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000765198080 859831843 /nfs/dbraw/zinc/83/18/43/859831843.db2.gz VHKGJYDJNSNEEH-FCHUYYIVSA-N 2 2 393.616 3.712 20 0 GHADLP CCO/C=C\[C@](O)(C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000895716147 859859838 /nfs/dbraw/zinc/85/98/38/859859838.db2.gz GVIWYJNEHDLYSX-NPHXJCOUSA-N 2 2 398.469 3.788 20 0 GHADLP CCO/C=C\[C@](O)(C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000895716147 859859853 /nfs/dbraw/zinc/85/98/53/859859853.db2.gz GVIWYJNEHDLYSX-NPHXJCOUSA-N 2 2 398.469 3.788 20 0 GHADLP C[C@H]1Cc2ccccc2N1CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000765405094 859956217 /nfs/dbraw/zinc/95/62/17/859956217.db2.gz OKPJHZHPGMRJRI-IBGZPJMESA-N 2 2 378.564 3.762 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccccc1 ZINC000474437619 860098025 /nfs/dbraw/zinc/09/80/25/860098025.db2.gz XZEOVTIHTMHSPA-WIYYLYMNSA-N 2 2 382.552 3.837 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccccc1 ZINC000474437619 860098035 /nfs/dbraw/zinc/09/80/35/860098035.db2.gz XZEOVTIHTMHSPA-WIYYLYMNSA-N 2 2 382.552 3.837 20 0 GHADLP COC(=O)Cc1ccc(C[NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)cc1 ZINC001142910968 860117047 /nfs/dbraw/zinc/11/70/47/860117047.db2.gz VVMBZCWDIGJDNW-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP COC(=O)Cc1ccc(C[NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)cc1 ZINC001142910968 860117050 /nfs/dbraw/zinc/11/70/50/860117050.db2.gz VVMBZCWDIGJDNW-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474459248 860129506 /nfs/dbraw/zinc/12/95/06/860129506.db2.gz JJBQPWLYBPEUTB-KLIQENQMSA-N 2 2 390.980 3.902 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474459248 860129510 /nfs/dbraw/zinc/12/95/10/860129510.db2.gz JJBQPWLYBPEUTB-KLIQENQMSA-N 2 2 390.980 3.902 20 0 GHADLP CC(=O)c1ccc2c(c1)CC[N@@H+](CCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000508969303 860329377 /nfs/dbraw/zinc/32/93/77/860329377.db2.gz VUYKEMWSTMUWCE-UHFFFAOYSA-N 2 2 391.559 3.502 20 0 GHADLP CC(=O)c1ccc2c(c1)CC[N@H+](CCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000508969303 860329385 /nfs/dbraw/zinc/32/93/85/860329385.db2.gz VUYKEMWSTMUWCE-UHFFFAOYSA-N 2 2 391.559 3.502 20 0 GHADLP O=C(NCCCCn1cc[nH+]c1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000602925144 860358198 /nfs/dbraw/zinc/35/81/98/860358198.db2.gz JZUPUXISPFLGNF-UHFFFAOYSA-N 2 2 383.540 3.539 20 0 GHADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191837780 860374990 /nfs/dbraw/zinc/37/49/90/860374990.db2.gz RBBLCQIAVPPRQR-UNMCSNQZSA-N 2 2 395.547 3.593 20 0 GHADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191837780 860374996 /nfs/dbraw/zinc/37/49/96/860374996.db2.gz RBBLCQIAVPPRQR-UNMCSNQZSA-N 2 2 395.547 3.593 20 0 GHADLP C[C@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@@H]1CC[NH3+] ZINC000904393840 860389710 /nfs/dbraw/zinc/38/97/10/860389710.db2.gz FVTZTZPIPSSXAD-OXJNMPFZSA-N 2 2 379.508 3.583 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000766189861 860454142 /nfs/dbraw/zinc/45/41/42/860454142.db2.gz HXSAUXUEFQYWQS-PKOBYXMFSA-N 2 2 388.556 3.724 20 0 GHADLP c1ccc(N[C@H]2CCC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000508991169 860455911 /nfs/dbraw/zinc/45/59/11/860455911.db2.gz OVMCYCHTIKWYHC-QHCPKHFHSA-N 2 2 378.564 3.775 20 0 GHADLP c1ccc(N[C@H]2CCC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000508991169 860455918 /nfs/dbraw/zinc/45/59/18/860455918.db2.gz OVMCYCHTIKWYHC-QHCPKHFHSA-N 2 2 378.564 3.775 20 0 GHADLP Cc1cccnc1N1CC[NH+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168039510 860533822 /nfs/dbraw/zinc/53/38/22/860533822.db2.gz GGOHAWHHMWBGPS-NHCUHLMSSA-N 2 2 378.564 3.954 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000532230591 881555616 /nfs/dbraw/zinc/55/56/16/881555616.db2.gz AXHFIXMZMFMBMI-GDBMZVCRSA-N 2 2 399.457 3.909 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000532230591 881555626 /nfs/dbraw/zinc/55/56/26/881555626.db2.gz AXHFIXMZMFMBMI-GDBMZVCRSA-N 2 2 399.457 3.909 20 0 GHADLP CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](C[NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)O2 ZINC000922792610 860598702 /nfs/dbraw/zinc/59/87/02/860598702.db2.gz VUJRDPKCSWPXIS-WRSRUZKNSA-N 2 2 397.519 3.631 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ncc(-c4cccs4)o3)C2)ccn1 ZINC000856592665 881562466 /nfs/dbraw/zinc/56/24/66/881562466.db2.gz VPBQZJPLWXLVIV-GOSISDBHSA-N 2 2 398.532 3.903 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ncc(-c4cccs4)o3)C2)ccn1 ZINC000856592665 881562477 /nfs/dbraw/zinc/56/24/77/881562477.db2.gz VPBQZJPLWXLVIV-GOSISDBHSA-N 2 2 398.532 3.903 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ncc(-c4cccs4)o3)C2)ccn1 ZINC000856592665 881562507 /nfs/dbraw/zinc/56/25/07/881562507.db2.gz VPBQZJPLWXLVIV-GOSISDBHSA-N 2 2 398.532 3.903 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ncc(-c4cccs4)o3)C2)ccn1 ZINC000856592665 881562521 /nfs/dbraw/zinc/56/25/21/881562521.db2.gz VPBQZJPLWXLVIV-GOSISDBHSA-N 2 2 398.532 3.903 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3csc(-c4ccoc4)n3)C2)ccn1 ZINC000856592539 881563381 /nfs/dbraw/zinc/56/33/81/881563381.db2.gz VFQQNQLFPNXOKF-HXUWFJFHSA-N 2 2 398.532 3.903 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3csc(-c4ccoc4)n3)C2)ccn1 ZINC000856592539 881563386 /nfs/dbraw/zinc/56/33/86/881563386.db2.gz VFQQNQLFPNXOKF-HXUWFJFHSA-N 2 2 398.532 3.903 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3csc(-c4ccoc4)n3)C2)ccn1 ZINC000856592539 881563394 /nfs/dbraw/zinc/56/33/94/881563394.db2.gz VFQQNQLFPNXOKF-HXUWFJFHSA-N 2 2 398.532 3.903 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)ccn1 ZINC000856592539 881563405 /nfs/dbraw/zinc/56/34/05/881563405.db2.gz VFQQNQLFPNXOKF-HXUWFJFHSA-N 2 2 398.532 3.903 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(C(C)(C)C)on3)C2)ccn1 ZINC000856605735 881582818 /nfs/dbraw/zinc/58/28/18/881582818.db2.gz YMTFJBJOLFZASV-HXUWFJFHSA-N 2 2 386.540 3.861 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(C(C)(C)C)on3)C2)ccn1 ZINC000856605735 881582838 /nfs/dbraw/zinc/58/28/38/881582838.db2.gz YMTFJBJOLFZASV-HXUWFJFHSA-N 2 2 386.540 3.861 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(C(C)(C)C)on3)C2)ccn1 ZINC000856605735 881582856 /nfs/dbraw/zinc/58/28/56/881582856.db2.gz YMTFJBJOLFZASV-HXUWFJFHSA-N 2 2 386.540 3.861 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(C(C)(C)C)on3)C2)ccn1 ZINC000856605735 881582871 /nfs/dbraw/zinc/58/28/71/881582871.db2.gz YMTFJBJOLFZASV-HXUWFJFHSA-N 2 2 386.540 3.861 20 0 GHADLP Brc1ccc(-c2n[nH]cc2C[NH2+]CCCNc2cccc[nH+]2)s1 ZINC000623441739 861071112 /nfs/dbraw/zinc/07/11/12/861071112.db2.gz HGILDHMWUXGHFT-UHFFFAOYSA-N 2 2 392.326 3.888 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(Nc4ccccc4)c3)CC2)CC1 ZINC000522815585 863439316 /nfs/dbraw/zinc/43/93/16/863439316.db2.gz NIBJIHDUHCHJBX-UHFFFAOYSA-N 2 2 392.547 3.719 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)ccc2[nH+]1 ZINC000606570190 863713010 /nfs/dbraw/zinc/71/30/10/863713010.db2.gz ABOYKTQJUZBJJG-INIZCTEOSA-N 2 2 383.521 3.738 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)ccc2[nH+]1 ZINC000606570190 863713013 /nfs/dbraw/zinc/71/30/13/863713013.db2.gz ABOYKTQJUZBJJG-INIZCTEOSA-N 2 2 383.521 3.738 20 0 GHADLP CC1CC[NH+]([C@@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)c2ccccc2)CC1 ZINC000606582263 863730026 /nfs/dbraw/zinc/73/00/26/863730026.db2.gz ITMGQNIDHUWNQB-FQEVSTJZSA-N 2 2 377.492 3.929 20 0 GHADLP COc1ccc([C@@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)[NH+]2CCCCC2)cc1 ZINC000606582479 863730720 /nfs/dbraw/zinc/73/07/20/863730720.db2.gz QXMARPVQVXMKNH-HXUWFJFHSA-N 2 2 393.491 3.692 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000606582851 863732181 /nfs/dbraw/zinc/73/21/81/863732181.db2.gz GJFILNXUYLRWDS-UHFFFAOYSA-N 2 2 385.471 3.837 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)CC[C@@H]21 ZINC000158800826 863956488 /nfs/dbraw/zinc/95/64/88/863956488.db2.gz KQYQLSAUKHAKMS-UNWVZKJWSA-N 2 2 387.543 3.589 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)CC[C@@H]21 ZINC000158800826 863956500 /nfs/dbraw/zinc/95/65/00/863956500.db2.gz KQYQLSAUKHAKMS-UNWVZKJWSA-N 2 2 387.543 3.589 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)CC[C@@H]21 ZINC000158800826 863956512 /nfs/dbraw/zinc/95/65/12/863956512.db2.gz KQYQLSAUKHAKMS-UNWVZKJWSA-N 2 2 387.543 3.589 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)CC[C@@H]21 ZINC000158800826 863956524 /nfs/dbraw/zinc/95/65/24/863956524.db2.gz KQYQLSAUKHAKMS-UNWVZKJWSA-N 2 2 387.543 3.589 20 0 GHADLP CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000606949838 863957212 /nfs/dbraw/zinc/95/72/12/863957212.db2.gz NMZKGKIXEQGYFU-UHFFFAOYSA-N 2 2 399.539 3.546 20 0 GHADLP CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000606949838 863957229 /nfs/dbraw/zinc/95/72/29/863957229.db2.gz NMZKGKIXEQGYFU-UHFFFAOYSA-N 2 2 399.539 3.546 20 0 GHADLP C[C@H](c1ccccc1)N(CC1CCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607183516 864147007 /nfs/dbraw/zinc/14/70/07/864147007.db2.gz IKTRDPNZHNBAQA-DENIHFKCSA-N 2 2 398.595 3.728 20 0 GHADLP C[C@H](c1ccccc1)N(CC1CCC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607183516 864147011 /nfs/dbraw/zinc/14/70/11/864147011.db2.gz IKTRDPNZHNBAQA-DENIHFKCSA-N 2 2 398.595 3.728 20 0 GHADLP CCO[C@@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)[C@H]1Oc1ccccc1 ZINC000480243235 864306637 /nfs/dbraw/zinc/30/66/37/864306637.db2.gz SAHARGMXSUMJGF-CQOQZXRMSA-N 2 2 391.515 3.689 20 0 GHADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)[C@H]1Oc1ccccc1 ZINC000480230738 864314013 /nfs/dbraw/zinc/31/40/13/864314013.db2.gz RMBOOIPFLDDSEB-DNVJHFABSA-N 2 2 377.488 3.646 20 0 GHADLP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)[C@H]1Oc1ccccc1 ZINC000480230740 864314610 /nfs/dbraw/zinc/31/46/10/864314610.db2.gz RMBOOIPFLDDSEB-YTFSRNRJSA-N 2 2 377.488 3.646 20 0 GHADLP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c2ccccc21 ZINC000621755909 864404197 /nfs/dbraw/zinc/40/41/97/864404197.db2.gz DKFILEDNOWWNII-JTSKRJEESA-N 2 2 378.520 3.695 20 0 GHADLP O=C(C[N@@H+]1CCCCC[C@H]1c1ccco1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000523008951 864437995 /nfs/dbraw/zinc/43/79/95/864437995.db2.gz HCGTVSKBNHKOKB-NRFANRHFSA-N 2 2 381.520 3.541 20 0 GHADLP O=C(C[N@H+]1CCCCC[C@H]1c1ccco1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000523008951 864438000 /nfs/dbraw/zinc/43/80/00/864438000.db2.gz HCGTVSKBNHKOKB-NRFANRHFSA-N 2 2 381.520 3.541 20 0 GHADLP C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163721113 864557602 /nfs/dbraw/zinc/55/76/02/864557602.db2.gz FPAQKQTUQLQERI-WMZHIEFXSA-N 2 2 376.504 3.596 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)COCc2ccccc2F)c(C)c1 ZINC000554643226 864648783 /nfs/dbraw/zinc/64/87/83/864648783.db2.gz WWHSLTLAPWURAO-OFNKIYASSA-N 2 2 397.494 3.548 20 0 GHADLP COc1cccc(N2CC[NH+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001168064748 865020174 /nfs/dbraw/zinc/02/01/74/865020174.db2.gz RSCXWJWZIMYJJS-PMACEKPBSA-N 2 2 394.563 3.654 20 0 GHADLP C[C@@H]1CC([N@@H+]2CCCN(C(=O)c3ccco3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065291 865074362 /nfs/dbraw/zinc/07/43/62/865074362.db2.gz VKNBQAHKWGNNQU-WOJBJXKFSA-N 2 2 395.547 3.869 20 0 GHADLP C[C@@H]1CC([N@H+]2CCCN(C(=O)c3ccco3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065291 865074378 /nfs/dbraw/zinc/07/43/78/865074378.db2.gz VKNBQAHKWGNNQU-WOJBJXKFSA-N 2 2 395.547 3.869 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCN(c3nccc(Cl)n3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065497 865080889 /nfs/dbraw/zinc/08/08/89/865080889.db2.gz WXLWVASOHBALGQ-OPVJXMOQSA-N 2 2 399.970 3.694 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCN(c3nccc(Cl)n3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065497 865080904 /nfs/dbraw/zinc/08/09/04/865080904.db2.gz WXLWVASOHBALGQ-OPVJXMOQSA-N 2 2 399.970 3.694 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CC[C@@H]3CCCC[NH+]3C)n2)C1 ZINC000608267177 865130301 /nfs/dbraw/zinc/13/03/01/865130301.db2.gz BPFUMIOWPBAXDK-WMZOPIPTSA-N 2 2 393.601 3.713 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CC[C@@H]3CCCC[NH+]3C)n2)C1 ZINC000608267177 865130314 /nfs/dbraw/zinc/13/03/14/865130314.db2.gz BPFUMIOWPBAXDK-WMZOPIPTSA-N 2 2 393.601 3.713 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)n2)C1 ZINC000608267177 865130326 /nfs/dbraw/zinc/13/03/26/865130326.db2.gz BPFUMIOWPBAXDK-WMZOPIPTSA-N 2 2 393.601 3.713 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)n2)C1 ZINC000608267177 865130336 /nfs/dbraw/zinc/13/03/36/865130336.db2.gz BPFUMIOWPBAXDK-WMZOPIPTSA-N 2 2 393.601 3.713 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCOc4ccc(F)cc43)cc2)CC1 ZINC000480739044 865170758 /nfs/dbraw/zinc/17/07/58/865170758.db2.gz LNYZMTYYFFMCGL-QHCPKHFHSA-N 2 2 397.538 3.967 20 0 GHADLP CCCC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(=O)Nc1cc(C)on1 ZINC000171976587 865432777 /nfs/dbraw/zinc/43/27/77/865432777.db2.gz RYCPYXLMDCDJKE-OAQYLSRUSA-N 2 2 398.551 3.777 20 0 GHADLP CCCCCC[N@H+](C)CC(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000737870468 865449668 /nfs/dbraw/zinc/44/96/68/865449668.db2.gz NBDNJMNKGXDERP-KDURUIRLSA-N 2 2 375.557 3.746 20 0 GHADLP CCCCCC[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000737870468 865449673 /nfs/dbraw/zinc/44/96/73/865449673.db2.gz NBDNJMNKGXDERP-KDURUIRLSA-N 2 2 375.557 3.746 20 0 GHADLP CCCCCC[NH+](C)CC(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000737870468 865449680 /nfs/dbraw/zinc/44/96/80/865449680.db2.gz NBDNJMNKGXDERP-KDURUIRLSA-N 2 2 375.557 3.746 20 0 GHADLP CCCCCC[NH+](C)CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000737870468 865449687 /nfs/dbraw/zinc/44/96/87/865449687.db2.gz NBDNJMNKGXDERP-KDURUIRLSA-N 2 2 375.557 3.746 20 0 GHADLP C[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@@H+]1CCc2sccc2C1 ZINC000172101203 865487812 /nfs/dbraw/zinc/48/78/12/865487812.db2.gz UEYKYXNDGOKOCM-HNNXBMFYSA-N 2 2 397.544 3.733 20 0 GHADLP C[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@H+]1CCc2sccc2C1 ZINC000172101203 865487822 /nfs/dbraw/zinc/48/78/22/865487822.db2.gz UEYKYXNDGOKOCM-HNNXBMFYSA-N 2 2 397.544 3.733 20 0 GHADLP C[C@@H]1CCC[C@@](CNC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)([NH+](C)C)C1 ZINC000608648307 865533271 /nfs/dbraw/zinc/53/32/71/865533271.db2.gz RRCFGEOJDZAZIY-KKLQWCBXSA-N 2 2 397.567 3.514 20 0 GHADLP CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000494559676 881908712 /nfs/dbraw/zinc/90/87/12/881908712.db2.gz WKFTXSOWOXCRHN-UXHICEINSA-N 2 2 378.605 3.547 20 0 GHADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(C(=O)OC)cc1 ZINC000550795395 881912711 /nfs/dbraw/zinc/91/27/11/881912711.db2.gz QUPRFXKHJSBZKY-GOTSBHOMSA-N 2 2 396.531 3.805 20 0 GHADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(C(=O)OC)cc1 ZINC000550795395 881912720 /nfs/dbraw/zinc/91/27/20/881912720.db2.gz QUPRFXKHJSBZKY-GOTSBHOMSA-N 2 2 396.531 3.805 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NCc1ccc(Cl)cc1 ZINC000481169865 865914541 /nfs/dbraw/zinc/91/45/41/865914541.db2.gz JEXUEPNIHHAUIE-SPEDKVCISA-N 2 2 399.966 3.845 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NCc1ccc(Cl)cc1 ZINC000481169865 865914549 /nfs/dbraw/zinc/91/45/49/865914549.db2.gz JEXUEPNIHHAUIE-SPEDKVCISA-N 2 2 399.966 3.845 20 0 GHADLP COc1cccc2c(NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)c(C)c[nH+]c12 ZINC000302786258 865924381 /nfs/dbraw/zinc/92/43/81/865924381.db2.gz VWIABWHLHKKHMX-LJQANCHMSA-N 2 2 377.488 3.731 20 0 GHADLP COc1cccc2c(NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)c(C)c[nH+]c12 ZINC000302786258 865924396 /nfs/dbraw/zinc/92/43/96/865924396.db2.gz VWIABWHLHKKHMX-LJQANCHMSA-N 2 2 377.488 3.731 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(Cl)cn1 ZINC000481186271 865951354 /nfs/dbraw/zinc/95/13/54/865951354.db2.gz XLJLOUPWFWEFOY-JTDSTZFVSA-N 2 2 386.927 3.562 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(Cl)cn1 ZINC000481186271 865951361 /nfs/dbraw/zinc/95/13/61/865951361.db2.gz XLJLOUPWFWEFOY-JTDSTZFVSA-N 2 2 386.927 3.562 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481190448 865972411 /nfs/dbraw/zinc/97/24/11/865972411.db2.gz ORNLUAKCKQLFRC-ZJOUEHCJSA-N 2 2 395.547 3.913 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481190448 865972423 /nfs/dbraw/zinc/97/24/23/865972423.db2.gz ORNLUAKCKQLFRC-ZJOUEHCJSA-N 2 2 395.547 3.913 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCC2 ZINC000481198700 866021708 /nfs/dbraw/zinc/02/17/08/866021708.db2.gz BYDJBOFQPKUCFG-HSZRJFAPSA-N 2 2 396.531 3.573 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1csc2ccc(Cl)cc12 ZINC000133089159 881935290 /nfs/dbraw/zinc/93/52/90/881935290.db2.gz PNNDYJUDCRJGAS-UHFFFAOYSA-N 2 2 393.984 3.582 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1csc2ccc(Cl)cc12 ZINC000133089159 881935304 /nfs/dbraw/zinc/93/53/04/881935304.db2.gz PNNDYJUDCRJGAS-UHFFFAOYSA-N 2 2 393.984 3.582 20 0 GHADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)CC2)C1 ZINC000671305692 866107317 /nfs/dbraw/zinc/10/73/17/866107317.db2.gz MHKCTEMTBKKKQT-SFHVURJKSA-N 2 2 390.984 3.675 20 0 GHADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)CC2)C1 ZINC000671305692 866107321 /nfs/dbraw/zinc/10/73/21/866107321.db2.gz MHKCTEMTBKKKQT-SFHVURJKSA-N 2 2 390.984 3.675 20 0 GHADLP C[C@@H]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534384982 866699155 /nfs/dbraw/zinc/69/91/55/866699155.db2.gz MQOSCKBHKDQDOE-CZAYHTPWSA-N 2 2 392.632 3.791 20 0 GHADLP C[C@@H]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534384982 866699161 /nfs/dbraw/zinc/69/91/61/866699161.db2.gz MQOSCKBHKDQDOE-CZAYHTPWSA-N 2 2 392.632 3.791 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)([NH+]2CCCCC2)CC1 ZINC000534419985 866765177 /nfs/dbraw/zinc/76/51/77/866765177.db2.gz AEOFGHUWSZLVES-NJDAHSKKSA-N 2 2 375.601 3.659 20 0 GHADLP O=C1c2cccc3cccc(c23)N1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000183518431 866812920 /nfs/dbraw/zinc/81/29/20/866812920.db2.gz ONRJXWPZOUMHGN-UHFFFAOYSA-N 2 2 393.531 3.582 20 0 GHADLP CC[C@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000553231365 867014574 /nfs/dbraw/zinc/01/45/74/867014574.db2.gz GUPGQDSUPPHIPX-LPHOPBHVSA-N 2 2 386.927 3.513 20 0 GHADLP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000793267590 882061198 /nfs/dbraw/zinc/06/11/98/882061198.db2.gz CFEPUBUAFATZLH-CQSZACIVSA-N 2 2 381.483 3.638 20 0 GHADLP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534861774 867661801 /nfs/dbraw/zinc/66/18/01/867661801.db2.gz AOSVSFMOXKMIHM-WMZOPIPTSA-N 2 2 384.549 3.772 20 0 GHADLP CN(C(=O)c1ccc2c(c1)CCCC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096386 868159640 /nfs/dbraw/zinc/15/96/40/868159640.db2.gz NTCLWTIVBMHHRD-RPWUZVMVSA-N 2 2 397.607 3.975 20 0 GHADLP CN(C(=O)c1ccc2c(c1)CCCC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096386 868159644 /nfs/dbraw/zinc/15/96/44/868159644.db2.gz NTCLWTIVBMHHRD-RPWUZVMVSA-N 2 2 397.607 3.975 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000535287591 868495749 /nfs/dbraw/zinc/49/57/49/868495749.db2.gz IXNNMHOTXGOGHN-OAQYLSRUSA-N 2 2 376.504 3.947 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000535287591 868495752 /nfs/dbraw/zinc/49/57/52/868495752.db2.gz IXNNMHOTXGOGHN-OAQYLSRUSA-N 2 2 376.504 3.947 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000479829584 868576558 /nfs/dbraw/zinc/57/65/58/868576558.db2.gz IHCLUDDGRHXRAR-UXHICEINSA-N 2 2 396.526 3.518 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000479829584 868576563 /nfs/dbraw/zinc/57/65/63/868576563.db2.gz IHCLUDDGRHXRAR-UXHICEINSA-N 2 2 396.526 3.518 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000479880671 868650993 /nfs/dbraw/zinc/65/09/93/868650993.db2.gz GOLOMQDUGSOPSH-SQJMNOBHSA-N 2 2 393.575 3.519 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000479880671 868651000 /nfs/dbraw/zinc/65/10/00/868651000.db2.gz GOLOMQDUGSOPSH-SQJMNOBHSA-N 2 2 393.575 3.519 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000479880671 868651003 /nfs/dbraw/zinc/65/10/03/868651003.db2.gz GOLOMQDUGSOPSH-SQJMNOBHSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000479880671 868651007 /nfs/dbraw/zinc/65/10/07/868651007.db2.gz GOLOMQDUGSOPSH-SQJMNOBHSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000766305971 868726124 /nfs/dbraw/zinc/72/61/24/868726124.db2.gz SSHUMXREWWDFRV-MAUKXSAKSA-N 2 2 397.910 3.759 20 0 GHADLP Cc1ccc2[nH+]cc(CNc3ccc(C)c(NC(=O)C[NH+]4CCCCC4)c3)n2c1 ZINC000157814868 868770022 /nfs/dbraw/zinc/77/00/22/868770022.db2.gz WFZQDPJLDSFIPC-UHFFFAOYSA-N 2 2 391.519 3.988 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)cc1 ZINC000535514332 868875459 /nfs/dbraw/zinc/87/54/59/868875459.db2.gz QALJDLYZXCRKHJ-VXNXHJTFSA-N 2 2 397.607 3.522 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000158355603 868927005 /nfs/dbraw/zinc/92/70/05/868927005.db2.gz PTPJDROOIZVLBK-SFHVURJKSA-N 2 2 383.561 3.863 20 0 GHADLP CCN(C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000535577008 869030783 /nfs/dbraw/zinc/03/07/83/869030783.db2.gz XNMNWFDMMRCZKQ-KRWDZBQOSA-N 2 2 384.499 3.707 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC(F)F)c(Br)c3)CC[C@H]21 ZINC000539404291 869062917 /nfs/dbraw/zinc/06/29/17/869062917.db2.gz FZKSBCDKQHJILA-UKRRQHHQSA-N 2 2 389.284 3.967 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC(F)F)c(Br)c3)CC[C@H]21 ZINC000539404291 869062925 /nfs/dbraw/zinc/06/29/25/869062925.db2.gz FZKSBCDKQHJILA-UKRRQHHQSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(OC(F)F)c(Br)c3)CC[C@H]21 ZINC000539404291 869062935 /nfs/dbraw/zinc/06/29/35/869062935.db2.gz FZKSBCDKQHJILA-UKRRQHHQSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)c(Br)c3)CC[C@H]21 ZINC000539404291 869062949 /nfs/dbraw/zinc/06/29/49/869062949.db2.gz FZKSBCDKQHJILA-UKRRQHHQSA-N 2 2 389.284 3.967 20 0 GHADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000133645635 882319848 /nfs/dbraw/zinc/31/98/48/882319848.db2.gz IMLQAVDGHNPRKK-GYSYKLTISA-N 2 2 377.273 3.869 20 0 GHADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000133645635 882319865 /nfs/dbraw/zinc/31/98/65/882319865.db2.gz IMLQAVDGHNPRKK-GYSYKLTISA-N 2 2 377.273 3.869 20 0 GHADLP Brc1cc2c(c(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)c1)OCC2 ZINC000462549361 869656179 /nfs/dbraw/zinc/65/61/79/869656179.db2.gz JRZDXMUZZONIAC-UHFFFAOYSA-N 2 2 390.306 3.921 20 0 GHADLP CC[NH+]1CCN(c2cccc(NCc3c[nH+]c(C)n3-c3ccccc3)c2)CC1 ZINC000190968043 882325168 /nfs/dbraw/zinc/32/51/68/882325168.db2.gz RXJNQOUVILINJL-UHFFFAOYSA-N 2 2 375.520 3.935 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000462779723 870052675 /nfs/dbraw/zinc/05/26/75/870052675.db2.gz UFINELNAQWJFSS-AWEZNQCLSA-N 2 2 383.330 3.517 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000669851713 870056124 /nfs/dbraw/zinc/05/61/24/870056124.db2.gz VDQBQWHRGCERSH-KSNOWIBYSA-N 3 2 377.576 3.975 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000669851713 870056141 /nfs/dbraw/zinc/05/61/41/870056141.db2.gz VDQBQWHRGCERSH-KSNOWIBYSA-N 3 2 377.576 3.975 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000525177871 870114054 /nfs/dbraw/zinc/11/40/54/870114054.db2.gz RSZIHKTWMAONQS-FGZHOGPDSA-N 2 2 395.547 3.896 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000525177871 870114058 /nfs/dbraw/zinc/11/40/58/870114058.db2.gz RSZIHKTWMAONQS-FGZHOGPDSA-N 2 2 395.547 3.896 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000247979666 870253390 /nfs/dbraw/zinc/25/33/90/870253390.db2.gz MDIXEQVBCDCLAQ-ZPMCFJSWSA-N 2 2 386.971 3.838 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000247979666 870253404 /nfs/dbraw/zinc/25/34/04/870253404.db2.gz MDIXEQVBCDCLAQ-ZPMCFJSWSA-N 2 2 386.971 3.838 20 0 GHADLP O[C@H](C1CC[NH+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1)C(F)(F)F ZINC001192434834 870365822 /nfs/dbraw/zinc/36/58/22/870365822.db2.gz HZQPKPJOMMHHJX-OAQYLSRUSA-N 2 2 398.513 3.966 20 0 GHADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000746383531 870591669 /nfs/dbraw/zinc/59/16/69/870591669.db2.gz WXPKHSXQZLCWFQ-OAHLLOKOSA-N 2 2 380.508 3.972 20 0 GHADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000746383531 870591681 /nfs/dbraw/zinc/59/16/81/870591681.db2.gz WXPKHSXQZLCWFQ-OAHLLOKOSA-N 2 2 380.508 3.972 20 0 GHADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000746383531 870591686 /nfs/dbraw/zinc/59/16/86/870591686.db2.gz WXPKHSXQZLCWFQ-OAHLLOKOSA-N 2 2 380.508 3.972 20 0 GHADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000746383531 870591694 /nfs/dbraw/zinc/59/16/94/870591694.db2.gz WXPKHSXQZLCWFQ-OAHLLOKOSA-N 2 2 380.508 3.972 20 0 GHADLP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(OCCC)c1 ZINC000538795310 870622984 /nfs/dbraw/zinc/62/29/84/870622984.db2.gz UKXIJLRFTBYORS-UNWVZKJWSA-N 2 2 390.568 3.948 20 0 GHADLP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(OCCC)c1 ZINC000538795310 870622996 /nfs/dbraw/zinc/62/29/96/870622996.db2.gz UKXIJLRFTBYORS-UNWVZKJWSA-N 2 2 390.568 3.948 20 0 GHADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1Br ZINC000540160136 870624427 /nfs/dbraw/zinc/62/44/27/870624427.db2.gz JUVMFXUXOPMMDR-IPMKNSEASA-N 2 2 381.358 3.868 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Br ZINC000538799293 870629862 /nfs/dbraw/zinc/62/98/62/870629862.db2.gz XKXAZJYNTPXEPI-QAPCUYQASA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Br ZINC000538799293 870629872 /nfs/dbraw/zinc/62/98/72/870629872.db2.gz XKXAZJYNTPXEPI-QAPCUYQASA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC000538799293 870629880 /nfs/dbraw/zinc/62/98/80/870629880.db2.gz XKXAZJYNTPXEPI-QAPCUYQASA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Br ZINC000538799293 870629887 /nfs/dbraw/zinc/62/98/87/870629887.db2.gz XKXAZJYNTPXEPI-QAPCUYQASA-N 2 2 379.342 3.906 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000746453352 870740133 /nfs/dbraw/zinc/74/01/33/870740133.db2.gz IIUUEQLPTBPHEM-ZWKOTPCHSA-N 2 2 381.524 3.607 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000746453352 870740142 /nfs/dbraw/zinc/74/01/42/870740142.db2.gz IIUUEQLPTBPHEM-ZWKOTPCHSA-N 2 2 381.524 3.607 20 0 GHADLP COCCN(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000191348881 882433487 /nfs/dbraw/zinc/43/34/87/882433487.db2.gz PKFODRLLVJBPPS-NZQKXSOJSA-N 2 2 396.579 3.649 20 0 GHADLP COCCN(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000191348881 882433491 /nfs/dbraw/zinc/43/34/91/882433491.db2.gz PKFODRLLVJBPPS-NZQKXSOJSA-N 2 2 396.579 3.649 20 0 GHADLP COCCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000191348881 882433497 /nfs/dbraw/zinc/43/34/97/882433497.db2.gz PKFODRLLVJBPPS-NZQKXSOJSA-N 2 2 396.579 3.649 20 0 GHADLP COCCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000191348881 882433502 /nfs/dbraw/zinc/43/35/02/882433502.db2.gz PKFODRLLVJBPPS-NZQKXSOJSA-N 2 2 396.579 3.649 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168849658 870930999 /nfs/dbraw/zinc/93/09/99/870930999.db2.gz KUWGECYDVGHAOM-RXVVDRJESA-N 2 2 387.568 3.981 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168849658 870931006 /nfs/dbraw/zinc/93/10/06/870931006.db2.gz KUWGECYDVGHAOM-RXVVDRJESA-N 2 2 387.568 3.981 20 0 GHADLP CC[NH+]1CCC([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000461795095 870969376 /nfs/dbraw/zinc/96/93/76/870969376.db2.gz INHILUMNYKUIIU-UHFFFAOYSA-N 3 2 392.591 3.583 20 0 GHADLP O=C1[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCN1c1ccccc1 ZINC000463132316 870975186 /nfs/dbraw/zinc/97/51/86/870975186.db2.gz ANJZMHCUKBJCOD-QHCPKHFHSA-N 2 2 395.522 3.618 20 0 GHADLP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)c1 ZINC000463138013 870990996 /nfs/dbraw/zinc/99/09/96/870990996.db2.gz NWGOVPPYPACDSG-CKUXNOBLSA-N 2 2 381.564 3.941 20 0 GHADLP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)c1 ZINC000463138013 870991002 /nfs/dbraw/zinc/99/10/02/870991002.db2.gz NWGOVPPYPACDSG-CKUXNOBLSA-N 2 2 381.564 3.941 20 0 GHADLP c1ccc(OC[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCO2)cc1 ZINC001193365136 871054739 /nfs/dbraw/zinc/05/47/39/871054739.db2.gz QAEWZXZSWJGVHN-XMMPIXPASA-N 2 2 380.532 3.952 20 0 GHADLP c1ccc(OC[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCO2)cc1 ZINC001193365136 871054764 /nfs/dbraw/zinc/05/47/64/871054764.db2.gz QAEWZXZSWJGVHN-XMMPIXPASA-N 2 2 380.532 3.952 20 0 GHADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(Cl)cc(Cl)c3F)CC2)CC1 ZINC001169092999 871165038 /nfs/dbraw/zinc/16/50/38/871165038.db2.gz XPHKVLUUAGXUEJ-UHFFFAOYSA-N 2 2 388.358 3.982 20 0 GHADLP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000539056156 871191367 /nfs/dbraw/zinc/19/13/67/871191367.db2.gz XMXXFOCJLFBJNY-GGAORHGYSA-N 2 2 397.950 3.866 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2ccncc2OCC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000463248426 871264597 /nfs/dbraw/zinc/26/45/97/871264597.db2.gz TWILENUGQNHUAD-QFBILLFUSA-N 2 2 375.463 3.868 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2ccncc2OCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000463248426 871264603 /nfs/dbraw/zinc/26/46/03/871264603.db2.gz TWILENUGQNHUAD-QFBILLFUSA-N 2 2 375.463 3.868 20 0 GHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000252643938 871339294 /nfs/dbraw/zinc/33/92/94/871339294.db2.gz HWNGNDSQRKUQPG-YKSBVNFPSA-N 3 2 380.580 3.924 20 0 GHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000252643938 871339313 /nfs/dbraw/zinc/33/93/13/871339313.db2.gz HWNGNDSQRKUQPG-YKSBVNFPSA-N 3 2 380.580 3.924 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@@H+]3CCCC4(CCOCC4)C3)CC2)cc1 ZINC001193976883 871414035 /nfs/dbraw/zinc/41/40/35/871414035.db2.gz MHCWDCSBZRKURJ-UHFFFAOYSA-N 2 2 391.987 3.745 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@H+]3CCCC4(CCOCC4)C3)CC2)cc1 ZINC001193976883 871414039 /nfs/dbraw/zinc/41/40/39/871414039.db2.gz MHCWDCSBZRKURJ-UHFFFAOYSA-N 2 2 391.987 3.745 20 0 GHADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000462000272 871421161 /nfs/dbraw/zinc/42/11/61/871421161.db2.gz CPOZLSXSMKNDOD-FCHUYYIVSA-N 2 2 397.567 3.631 20 0 GHADLP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000462004527 871454659 /nfs/dbraw/zinc/45/46/59/871454659.db2.gz DJDKWTXBSXMPDP-XMMPIXPASA-N 2 2 391.559 3.776 20 0 GHADLP CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001169465989 871542712 /nfs/dbraw/zinc/54/27/12/871542712.db2.gz CJTBCPKFEFNZEU-QGZVFWFLSA-N 2 2 392.613 3.529 20 0 GHADLP CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001169465989 871542734 /nfs/dbraw/zinc/54/27/34/871542734.db2.gz CJTBCPKFEFNZEU-QGZVFWFLSA-N 2 2 392.613 3.529 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000447428373 871559677 /nfs/dbraw/zinc/55/96/77/871559677.db2.gz OEWLXNPVDDEKRE-UHFFFAOYSA-N 2 2 391.968 3.811 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000447428373 871559700 /nfs/dbraw/zinc/55/97/00/871559700.db2.gz OEWLXNPVDDEKRE-UHFFFAOYSA-N 2 2 391.968 3.811 20 0 GHADLP Cc1cc2[nH+]ccn2cc1N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169517589 871624182 /nfs/dbraw/zinc/62/41/82/871624182.db2.gz GXUSNYIRDRVHSJ-AZUAARDMSA-N 2 2 378.476 3.514 20 0 GHADLP O[C@H](C(F)F)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000462113645 871637185 /nfs/dbraw/zinc/63/71/85/871637185.db2.gz TWUBULKLEGPBJL-VXKWHMMOSA-N 2 2 388.502 3.520 20 0 GHADLP CC(C)C(CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000447821775 872322571 /nfs/dbraw/zinc/32/25/71/872322571.db2.gz MPBLVQVNCYNIJR-VXKWHMMOSA-N 2 2 394.648 3.893 20 0 GHADLP CC(C)C(CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000447821775 872322574 /nfs/dbraw/zinc/32/25/74/872322574.db2.gz MPBLVQVNCYNIJR-VXKWHMMOSA-N 2 2 394.648 3.893 20 0 GHADLP C[NH+]1CCN([C@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)c2cccs2)CC1 ZINC000540915492 872494148 /nfs/dbraw/zinc/49/41/48/872494148.db2.gz XIJZKPBJVWXOQS-GGAORHGYSA-N 2 2 392.572 3.811 20 0 GHADLP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccco1 ZINC000478231390 872697616 /nfs/dbraw/zinc/69/76/16/872697616.db2.gz KORZGAFBJRAWFC-MJGOQNOKSA-N 2 2 399.539 3.594 20 0 GHADLP C[N@@H+]1CCN(CCC[NH2+]Cc2csc(C(C)(C)C)n2)[C@@H](c2ccccc2)C1 ZINC000619761486 872974033 /nfs/dbraw/zinc/97/40/33/872974033.db2.gz PITDDCKRCITCRO-HXUWFJFHSA-N 2 2 386.609 3.909 20 0 GHADLP C[N@H+]1CCN(CCC[NH2+]Cc2csc(C(C)(C)C)n2)[C@@H](c2ccccc2)C1 ZINC000619761486 872974040 /nfs/dbraw/zinc/97/40/40/872974040.db2.gz PITDDCKRCITCRO-HXUWFJFHSA-N 2 2 386.609 3.909 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768203617 873139721 /nfs/dbraw/zinc/13/97/21/873139721.db2.gz VTDOYVJYKNBKJZ-KRWDZBQOSA-N 2 2 384.524 3.998 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000191984183 882692980 /nfs/dbraw/zinc/69/29/80/882692980.db2.gz VTLWTLLHMJJVQN-PMACEKPBSA-N 3 2 382.552 3.502 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000768216477 873169691 /nfs/dbraw/zinc/16/96/91/873169691.db2.gz HQOLEOCXSCVFBC-QGZVFWFLSA-N 2 2 397.604 3.501 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](C[NH+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)c1ccccc1 ZINC001196869681 873445766 /nfs/dbraw/zinc/44/57/66/873445766.db2.gz PLZFSUPCWSDHBT-NLJXWPIHSA-N 2 2 396.600 3.888 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)c1ccccc1 ZINC001196869681 873445770 /nfs/dbraw/zinc/44/57/70/873445770.db2.gz PLZFSUPCWSDHBT-NLJXWPIHSA-N 2 2 396.600 3.888 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)c1ccccc1 ZINC001196869681 873445774 /nfs/dbraw/zinc/44/57/74/873445774.db2.gz PLZFSUPCWSDHBT-NLJXWPIHSA-N 2 2 396.600 3.888 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)c1ccccc1 ZINC001196869681 873445778 /nfs/dbraw/zinc/44/57/78/873445778.db2.gz PLZFSUPCWSDHBT-NLJXWPIHSA-N 2 2 396.600 3.888 20 0 GHADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccsc1Br ZINC000527708029 873483075 /nfs/dbraw/zinc/48/30/75/873483075.db2.gz DYUSYGWTEFUHFL-UHFFFAOYSA-N 2 2 384.343 3.526 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1OCc1ccncc1 ZINC000537646830 882732288 /nfs/dbraw/zinc/73/22/88/882732288.db2.gz AZFHIMZIOPDELS-QFIPXVFZSA-N 2 2 395.547 3.833 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1OCc1ccncc1 ZINC000537646830 882732295 /nfs/dbraw/zinc/73/22/95/882732295.db2.gz AZFHIMZIOPDELS-QFIPXVFZSA-N 2 2 395.547 3.833 20 0 GHADLP COc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1OCc1ccncc1 ZINC000537646830 882732304 /nfs/dbraw/zinc/73/23/04/882732304.db2.gz AZFHIMZIOPDELS-QFIPXVFZSA-N 2 2 395.547 3.833 20 0 GHADLP COc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1OCc1ccncc1 ZINC000537646830 882732315 /nfs/dbraw/zinc/73/23/15/882732315.db2.gz AZFHIMZIOPDELS-QFIPXVFZSA-N 2 2 395.547 3.833 20 0 GHADLP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)ccc1OCc1c(C)noc1C ZINC000527809084 873594377 /nfs/dbraw/zinc/59/43/77/873594377.db2.gz SKWJLPLWHQWOHC-FQEVSTJZSA-N 2 2 399.535 3.986 20 0 GHADLP COc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)ccc1OCc1c(C)noc1C ZINC000527809084 873594386 /nfs/dbraw/zinc/59/43/86/873594386.db2.gz SKWJLPLWHQWOHC-FQEVSTJZSA-N 2 2 399.535 3.986 20 0 GHADLP C[C@@H](CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[NH+]1CCCCC1 ZINC000541462408 873608439 /nfs/dbraw/zinc/60/84/39/873608439.db2.gz YCIKLNRKIGMXFH-SFHVURJKSA-N 2 2 393.535 3.988 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000192083519 882749863 /nfs/dbraw/zinc/74/98/63/882749863.db2.gz GDXMVKUTWMPSLK-UHFFFAOYSA-N 2 2 390.516 3.508 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccccc2-n2cccn2)cc1 ZINC001198022212 874183950 /nfs/dbraw/zinc/18/39/50/874183950.db2.gz QYHLGPVFEWHURS-UHFFFAOYSA-N 2 2 391.519 3.508 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccccc2-n2cccn2)cc1 ZINC001198022212 874183952 /nfs/dbraw/zinc/18/39/52/874183952.db2.gz QYHLGPVFEWHURS-UHFFFAOYSA-N 2 2 391.519 3.508 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NCc2cccc(C(F)F)c2)cc1 ZINC001198031610 874189703 /nfs/dbraw/zinc/18/97/03/874189703.db2.gz XATMKCXXRKZOJR-UHFFFAOYSA-N 2 2 389.490 3.938 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NCc2cccc(C(F)F)c2)cc1 ZINC001198031610 874189714 /nfs/dbraw/zinc/18/97/14/874189714.db2.gz XATMKCXXRKZOJR-UHFFFAOYSA-N 2 2 389.490 3.938 20 0 GHADLP Fc1ccc(OC[C@@H]2CCC[N@@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001198173307 874259897 /nfs/dbraw/zinc/25/98/97/874259897.db2.gz CEUSDEFCAOSFIU-LADGPHEKSA-N 2 2 398.522 3.960 20 0 GHADLP Fc1ccc(OC[C@@H]2CCC[N@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001198173307 874259906 /nfs/dbraw/zinc/25/99/06/874259906.db2.gz CEUSDEFCAOSFIU-LADGPHEKSA-N 2 2 398.522 3.960 20 0 GHADLP Fc1ccc(OC[C@@H]2CCC[NH+]2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001198173307 874259911 /nfs/dbraw/zinc/25/99/11/874259911.db2.gz CEUSDEFCAOSFIU-LADGPHEKSA-N 2 2 398.522 3.960 20 0 GHADLP Fc1ccc(OC[C@@H]2CCC[NH+]2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001198173307 874259922 /nfs/dbraw/zinc/25/99/22/874259922.db2.gz CEUSDEFCAOSFIU-LADGPHEKSA-N 2 2 398.522 3.960 20 0 GHADLP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000769962762 874366482 /nfs/dbraw/zinc/36/64/82/874366482.db2.gz QHFOXKUWZHECOJ-FXAWDEMLSA-N 2 2 396.535 3.742 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449059376 874395496 /nfs/dbraw/zinc/39/54/96/874395496.db2.gz ABAXAQLXXBFOPN-GOSISDBHSA-N 2 2 398.547 3.898 20 0 GHADLP COCC[NH+]1CCC([NH2+]Cc2cc(Cl)c(C)cc2Br)CC1 ZINC000449103735 874476263 /nfs/dbraw/zinc/47/62/63/874476263.db2.gz CAFAYMRACODPIC-UHFFFAOYSA-N 2 2 375.738 3.611 20 0 GHADLP CCn1nnc(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000449159298 874538409 /nfs/dbraw/zinc/53/84/09/874538409.db2.gz ZBRZBQHALGRJEK-QFBILLFUSA-N 2 2 395.473 3.798 20 0 GHADLP CCn1nnc(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000449159298 874538414 /nfs/dbraw/zinc/53/84/14/874538414.db2.gz ZBRZBQHALGRJEK-QFBILLFUSA-N 2 2 395.473 3.798 20 0 GHADLP CC[N@@H+](CC(=O)N(CC(C)C)CC(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806127 874559215 /nfs/dbraw/zinc/55/92/15/874559215.db2.gz CBMOTIVTMGTLNJ-UHFFFAOYSA-N 2 2 388.600 3.761 20 0 GHADLP CC[N@H+](CC(=O)N(CC(C)C)CC(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806127 874559227 /nfs/dbraw/zinc/55/92/27/874559227.db2.gz CBMOTIVTMGTLNJ-UHFFFAOYSA-N 2 2 388.600 3.761 20 0 GHADLP COc1cc2ccccc2cc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000449187790 874565012 /nfs/dbraw/zinc/56/50/12/874565012.db2.gz MZQXHDAEQYEETP-UHFFFAOYSA-N 2 2 390.531 3.808 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449184509 874576628 /nfs/dbraw/zinc/57/66/28/874576628.db2.gz IABVEACJHVYMBE-FCHUYYIVSA-N 2 2 399.604 3.786 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(ccc3ccccc23)o1 ZINC000528560603 874707523 /nfs/dbraw/zinc/70/75/23/874707523.db2.gz LJLGFISWRNNMCN-UHFFFAOYSA-N 2 2 379.504 3.684 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(ccc3ccccc23)o1 ZINC000528560603 874707531 /nfs/dbraw/zinc/70/75/31/874707531.db2.gz LJLGFISWRNNMCN-UHFFFAOYSA-N 2 2 379.504 3.684 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)Cc3ccn(C(C)C)n3)CC2)cc1 ZINC000449525400 875002878 /nfs/dbraw/zinc/00/28/78/875002878.db2.gz RTYQECMCFVQOCJ-GOSISDBHSA-N 2 2 397.567 3.608 20 0 GHADLP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1C ZINC000542132354 875030634 /nfs/dbraw/zinc/03/06/34/875030634.db2.gz XTOWKAOVZSQOOZ-QFIPXVFZSA-N 2 2 385.552 3.740 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(Br)s3)[nH+]c2)C1 ZINC001201536423 875734390 /nfs/dbraw/zinc/73/43/90/875734390.db2.gz RHDBOBCKJYHKRQ-ZDUSSCGKSA-N 2 2 381.343 3.658 20 0 GHADLP CC[C@H](CC(F)(F)F)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450225602 876114115 /nfs/dbraw/zinc/11/41/15/876114115.db2.gz HCDVCACPZDGAPI-BPQIPLTHSA-N 2 2 391.522 3.761 20 0 GHADLP CC[C@H](CC(F)(F)F)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450225602 876114121 /nfs/dbraw/zinc/11/41/21/876114121.db2.gz HCDVCACPZDGAPI-BPQIPLTHSA-N 2 2 391.522 3.761 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC000858286237 883002024 /nfs/dbraw/zinc/00/20/24/883002024.db2.gz VDOHVIMWZJSVLM-CGBFIWBNSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC000858286237 883002040 /nfs/dbraw/zinc/00/20/40/883002040.db2.gz VDOHVIMWZJSVLM-CGBFIWBNSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC000858286243 883002325 /nfs/dbraw/zinc/00/23/25/883002325.db2.gz VDOHVIMWZJSVLM-JPLJXNOCSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC000858286243 883002341 /nfs/dbraw/zinc/00/23/41/883002341.db2.gz VDOHVIMWZJSVLM-JPLJXNOCSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](C)[C@@H]3OCCc4sccc43)sc2C1 ZINC000492228217 876456142 /nfs/dbraw/zinc/45/61/42/876456142.db2.gz UKTOXYYBIGQNGJ-YJYMSZOUSA-N 2 2 377.579 3.763 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](C)[C@@H]3OCCc4sccc43)sc2C1 ZINC000492228217 876456151 /nfs/dbraw/zinc/45/61/51/876456151.db2.gz UKTOXYYBIGQNGJ-YJYMSZOUSA-N 2 2 377.579 3.763 20 0 GHADLP CCC[N@H+](Cc1nnc(C2CC2)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450565362 876624329 /nfs/dbraw/zinc/62/43/29/876624329.db2.gz QDTSWDHNOBENGR-UHFFFAOYSA-N 2 2 386.569 3.703 20 0 GHADLP CCC[N@@H+](Cc1nnc(C2CC2)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450565362 876624334 /nfs/dbraw/zinc/62/43/34/876624334.db2.gz QDTSWDHNOBENGR-UHFFFAOYSA-N 2 2 386.569 3.703 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000450608303 876678737 /nfs/dbraw/zinc/67/87/37/876678737.db2.gz IOKASIDFNYSHKM-UHFFFAOYSA-N 2 2 378.582 3.568 20 0 GHADLP CC[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000450644732 876703470 /nfs/dbraw/zinc/70/34/70/876703470.db2.gz CDHSCMQHXVDBNR-SFHVURJKSA-N 2 2 387.351 3.604 20 0 GHADLP CC[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000450644731 876703739 /nfs/dbraw/zinc/70/37/39/876703739.db2.gz CDHSCMQHXVDBNR-GOSISDBHSA-N 2 2 387.351 3.604 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1c(=O)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000746628013 877108314 /nfs/dbraw/zinc/10/83/14/877108314.db2.gz SFHLHBYUMCYJRA-INIZCTEOSA-N 2 2 376.570 3.545 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1c(=O)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000746628013 877108323 /nfs/dbraw/zinc/10/83/23/877108323.db2.gz SFHLHBYUMCYJRA-INIZCTEOSA-N 2 2 376.570 3.545 20 0 GHADLP CC(C)NC(=O)CC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136958036 877458791 /nfs/dbraw/zinc/45/87/91/877458791.db2.gz NNRWPQQGMSNBMG-UHFFFAOYSA-N 2 2 385.474 3.516 20 0 GHADLP CC(C)NC(=O)CC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136958036 877458799 /nfs/dbraw/zinc/45/87/99/877458799.db2.gz NNRWPQQGMSNBMG-UHFFFAOYSA-N 2 2 385.474 3.516 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)CCCn3cc[nH+]c3)cc2)C1 ZINC000137241690 877524610 /nfs/dbraw/zinc/52/46/10/877524610.db2.gz LCPLDEVFYPJJDW-WOJBJXKFSA-N 2 2 397.567 3.593 20 0 GHADLP C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000530524305 877976961 /nfs/dbraw/zinc/97/69/61/877976961.db2.gz LZRQZCIWHOYMEB-QRVBRYPASA-N 2 2 398.551 3.809 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000245573936 878131530 /nfs/dbraw/zinc/13/15/30/878131530.db2.gz DBHASDUXKHIPKS-KAGYGMCKSA-N 2 2 382.527 3.690 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000245573936 878131540 /nfs/dbraw/zinc/13/15/40/878131540.db2.gz DBHASDUXKHIPKS-KAGYGMCKSA-N 2 2 382.527 3.690 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000245683197 878369999 /nfs/dbraw/zinc/36/99/99/878369999.db2.gz PKRDURDQIGHUMK-KBXCAEBGSA-N 2 2 395.334 3.731 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000245683197 878370014 /nfs/dbraw/zinc/37/00/14/878370014.db2.gz PKRDURDQIGHUMK-KBXCAEBGSA-N 2 2 395.334 3.731 20 0 GHADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000245689975 878393859 /nfs/dbraw/zinc/39/38/59/878393859.db2.gz JHJNIRLDPIEOQY-UEVCKROQSA-N 2 2 385.596 3.976 20 0 GHADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000245689975 878393869 /nfs/dbraw/zinc/39/38/69/878393869.db2.gz JHJNIRLDPIEOQY-UEVCKROQSA-N 2 2 385.596 3.976 20 0 GHADLP CN(C(=O)c1cc(Cl)ccc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245721726 878470375 /nfs/dbraw/zinc/47/03/75/878470375.db2.gz PUDSRAFSZZEFLW-WOJBJXKFSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1cc(Cl)ccc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245721726 878470381 /nfs/dbraw/zinc/47/03/81/878470381.db2.gz PUDSRAFSZZEFLW-WOJBJXKFSA-N 2 2 395.950 3.888 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001183238992 912351470 /nfs/dbraw/zinc/35/14/70/912351470.db2.gz RCRMWRQZYGAEOD-KBXCAEBGSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001183238992 912351497 /nfs/dbraw/zinc/35/14/97/912351497.db2.gz RCRMWRQZYGAEOD-KBXCAEBGSA-N 2 2 394.357 3.773 20 0 GHADLP CC[C@H](C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[NH+](CC)CC ZINC000530814564 878541928 /nfs/dbraw/zinc/54/19/28/878541928.db2.gz XXMMJSINKLNNHG-GOSISDBHSA-N 2 2 386.565 3.760 20 0 GHADLP CC[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[NH+](CC)CC ZINC000530814564 878541946 /nfs/dbraw/zinc/54/19/46/878541946.db2.gz XXMMJSINKLNNHG-GOSISDBHSA-N 2 2 386.565 3.760 20 0 GHADLP CC[N@H+](CCC1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1)CC(C)C ZINC000538077220 878777723 /nfs/dbraw/zinc/77/77/23/878777723.db2.gz SNFWERRLWIAHEY-UHFFFAOYSA-N 2 2 385.556 3.624 20 0 GHADLP CC[N@@H+](CCC1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1)CC(C)C ZINC000538077220 878777743 /nfs/dbraw/zinc/77/77/43/878777743.db2.gz SNFWERRLWIAHEY-UHFFFAOYSA-N 2 2 385.556 3.624 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000538100373 878808722 /nfs/dbraw/zinc/80/87/22/878808722.db2.gz FGJJOEYWXZWGFN-RBUKOAKNSA-N 2 2 398.378 3.977 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000538100373 878808730 /nfs/dbraw/zinc/80/87/30/878808730.db2.gz FGJJOEYWXZWGFN-RBUKOAKNSA-N 2 2 398.378 3.977 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCCC1)c1ccccc1 ZINC000530963451 878812687 /nfs/dbraw/zinc/81/26/87/878812687.db2.gz RGAKCGXAQNBJQP-SFHVURJKSA-N 2 2 395.551 3.962 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCCC1)c1ccccc1 ZINC000530963451 878812697 /nfs/dbraw/zinc/81/26/97/878812697.db2.gz RGAKCGXAQNBJQP-SFHVURJKSA-N 2 2 395.551 3.962 20 0 GHADLP CC[N@H+](Cc1nnc(C)n1C1CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538146567 878946902 /nfs/dbraw/zinc/94/69/02/878946902.db2.gz AFZIRAXXZLECHS-UHFFFAOYSA-N 2 2 397.571 3.634 20 0 GHADLP CC[N@@H+](Cc1nnc(C)n1C1CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538146567 878946913 /nfs/dbraw/zinc/94/69/13/878946913.db2.gz AFZIRAXXZLECHS-UHFFFAOYSA-N 2 2 397.571 3.634 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H]3CC[NH+](C(C)(C)C)C3)n2)C1 ZINC000853811978 879297216 /nfs/dbraw/zinc/29/72/16/879297216.db2.gz CNYAWRZSMBOFQW-HZPDHXFCSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H]3CC[NH+](C(C)(C)C)C3)n2)C1 ZINC000853811978 879297233 /nfs/dbraw/zinc/29/72/33/879297233.db2.gz CNYAWRZSMBOFQW-HZPDHXFCSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@H]3CC[N@@H+](C(C)(C)C)C3)n2)C1 ZINC000853811978 879297249 /nfs/dbraw/zinc/29/72/49/879297249.db2.gz CNYAWRZSMBOFQW-HZPDHXFCSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@H]3CC[N@H+](C(C)(C)C)C3)n2)C1 ZINC000853811978 879297266 /nfs/dbraw/zinc/29/72/66/879297266.db2.gz CNYAWRZSMBOFQW-HZPDHXFCSA-N 2 2 393.601 3.617 20 0 GHADLP O[C@]1(C[NH2+]Cc2cnc(-c3cccs3)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000531199701 879313033 /nfs/dbraw/zinc/31/30/33/879313033.db2.gz KOEHIAKUHGQRDU-FQEVSTJZSA-N 2 2 385.558 3.598 20 0 GHADLP O[C@]1(C[NH2+]Cc2cnc(-c3cccs3)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000531199701 879313053 /nfs/dbraw/zinc/31/30/53/879313053.db2.gz KOEHIAKUHGQRDU-FQEVSTJZSA-N 2 2 385.558 3.598 20 0 GHADLP COc1cc(C[N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)c(SC)cc1OC ZINC000542466347 879348216 /nfs/dbraw/zinc/34/82/16/879348216.db2.gz BUVRNTWMCWCTJG-UHFFFAOYSA-N 2 2 398.532 3.947 20 0 GHADLP COc1cc(C[N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)c(SC)cc1OC ZINC000542466347 879348237 /nfs/dbraw/zinc/34/82/37/879348237.db2.gz BUVRNTWMCWCTJG-UHFFFAOYSA-N 2 2 398.532 3.947 20 0 GHADLP CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2)ncn1 ZINC000246513648 879642664 /nfs/dbraw/zinc/64/26/64/879642664.db2.gz UFIRQIFCYQAPSO-YLJYHZDGSA-N 2 2 376.508 3.544 20 0 GHADLP COCc1cc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)ccc1OC ZINC000854224528 879643408 /nfs/dbraw/zinc/64/34/08/879643408.db2.gz NVZSPTRQXPKXSY-NPFVIJTESA-N 2 2 384.520 3.647 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000461397300 879735746 /nfs/dbraw/zinc/73/57/46/879735746.db2.gz UKQVYLQAJFHWIB-HXUWFJFHSA-N 2 2 386.584 3.657 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000461397300 879735754 /nfs/dbraw/zinc/73/57/54/879735754.db2.gz UKQVYLQAJFHWIB-HXUWFJFHSA-N 2 2 386.584 3.657 20 0 GHADLP Clc1c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cnn1Cc1ccccc1 ZINC000790519474 879789967 /nfs/dbraw/zinc/78/99/67/879789967.db2.gz QFZHMSZFZAZGBS-UHFFFAOYSA-N 2 2 381.911 3.738 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000494000013 879803803 /nfs/dbraw/zinc/80/38/03/879803803.db2.gz NWKAKUSLFAFHKU-IBGZPJMESA-N 2 2 390.531 3.505 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000494000013 879803825 /nfs/dbraw/zinc/80/38/25/879803825.db2.gz NWKAKUSLFAFHKU-IBGZPJMESA-N 2 2 390.531 3.505 20 0 GHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247059869 879903934 /nfs/dbraw/zinc/90/39/34/879903934.db2.gz ZRFUZNJENHLAMG-HYFFOGBASA-N 2 2 378.520 3.511 20 0 GHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247059869 879903945 /nfs/dbraw/zinc/90/39/45/879903945.db2.gz ZRFUZNJENHLAMG-HYFFOGBASA-N 2 2 378.520 3.511 20 0 GHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247059869 879903954 /nfs/dbraw/zinc/90/39/54/879903954.db2.gz ZRFUZNJENHLAMG-HYFFOGBASA-N 2 2 378.520 3.511 20 0 GHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247059869 879903963 /nfs/dbraw/zinc/90/39/63/879903963.db2.gz ZRFUZNJENHLAMG-HYFFOGBASA-N 2 2 378.520 3.511 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000477777151 879909042 /nfs/dbraw/zinc/90/90/42/879909042.db2.gz XYMPHNOBSZLQLN-ULFGMLNVSA-N 2 2 385.474 3.522 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000477777151 879909054 /nfs/dbraw/zinc/90/90/54/879909054.db2.gz XYMPHNOBSZLQLN-ULFGMLNVSA-N 2 2 385.474 3.522 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000247672232 880045828 /nfs/dbraw/zinc/04/58/28/880045828.db2.gz QFAGIVLMUVDIKQ-AVRDEDQJSA-N 2 2 381.520 3.711 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000247672232 880045839 /nfs/dbraw/zinc/04/58/39/880045839.db2.gz QFAGIVLMUVDIKQ-AVRDEDQJSA-N 2 2 381.520 3.711 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000453304253 880767827 /nfs/dbraw/zinc/76/78/27/880767827.db2.gz ONPZKOFGNWKLQS-URXFXBBRSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000453304253 880767841 /nfs/dbraw/zinc/76/78/41/880767841.db2.gz ONPZKOFGNWKLQS-URXFXBBRSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000453304253 880767854 /nfs/dbraw/zinc/76/78/54/880767854.db2.gz ONPZKOFGNWKLQS-URXFXBBRSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000453304253 880767866 /nfs/dbraw/zinc/76/78/66/880767866.db2.gz ONPZKOFGNWKLQS-URXFXBBRSA-N 2 2 392.591 3.936 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCc4c(O)cccc43)CC2)cc1 ZINC000453326804 880799615 /nfs/dbraw/zinc/79/96/15/880799615.db2.gz NXIIMJRPUOXEDI-HSZRJFAPSA-N 2 2 393.531 3.982 20 0 GHADLP Fc1cc2ncn(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)c2cc1F ZINC000795712344 912610928 /nfs/dbraw/zinc/61/09/28/912610928.db2.gz WOVLVDKEXMYQNA-JOCHJYFZSA-N 2 2 382.458 3.870 20 0 GHADLP Fc1cc2ncn(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)c2cc1F ZINC000795712344 912610935 /nfs/dbraw/zinc/61/09/35/912610935.db2.gz WOVLVDKEXMYQNA-JOCHJYFZSA-N 2 2 382.458 3.870 20 0 GHADLP Fc1cc2ncn(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)c2cc1F ZINC000795712344 912610942 /nfs/dbraw/zinc/61/09/42/912610942.db2.gz WOVLVDKEXMYQNA-JOCHJYFZSA-N 2 2 382.458 3.870 20 0 GHADLP Fc1cc2ncn(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2cc1F ZINC000795712344 912610947 /nfs/dbraw/zinc/61/09/47/912610947.db2.gz WOVLVDKEXMYQNA-JOCHJYFZSA-N 2 2 382.458 3.870 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c(C)nn(-c3ccc(F)cc3F)c1C)CCC2 ZINC000377836548 880926400 /nfs/dbraw/zinc/92/64/00/880926400.db2.gz BSWUAJCZCZNDCO-INIZCTEOSA-N 2 2 385.462 3.939 20 0 GHADLP CN(C(=O)Cc1coc2ccccc12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000556936869 881124177 /nfs/dbraw/zinc/12/41/77/881124177.db2.gz DDIZKWYXDHGRCO-FCHUYYIVSA-N 2 2 397.563 3.771 20 0 GHADLP CN(C(=O)Cc1coc2ccccc12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000556936869 881124183 /nfs/dbraw/zinc/12/41/83/881124183.db2.gz DDIZKWYXDHGRCO-FCHUYYIVSA-N 2 2 397.563 3.771 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cccn2)cc1 ZINC000551391792 883790928 /nfs/dbraw/zinc/79/09/28/883790928.db2.gz OKHMQSWIMJFYNC-RDPSFJRHSA-N 2 2 390.531 3.814 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cccn2)cc1 ZINC000551391792 883790936 /nfs/dbraw/zinc/79/09/36/883790936.db2.gz OKHMQSWIMJFYNC-RDPSFJRHSA-N 2 2 390.531 3.814 20 0 GHADLP Cc1[nH]c2ncc([NH+]3C=CC(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)C=C3)cc2c1C ZINC001170496378 884284010 /nfs/dbraw/zinc/28/40/10/884284010.db2.gz OJBQGWYUJMJCTB-FAEJEUNOSA-N 2 2 391.519 3.551 20 0 GHADLP c1nnc([C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C2CCCCC2)[nH]1 ZINC000495065362 884468232 /nfs/dbraw/zinc/46/82/32/884468232.db2.gz ZLLJPZJDJIHNSV-OAQYLSRUSA-N 2 2 383.540 3.691 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000648746258 884600904 /nfs/dbraw/zinc/60/09/04/884600904.db2.gz RCFJWJRFBAWBLS-CABCVRRESA-N 2 2 375.542 3.724 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000648746258 884600912 /nfs/dbraw/zinc/60/09/12/884600912.db2.gz RCFJWJRFBAWBLS-CABCVRRESA-N 2 2 375.542 3.724 20 0 GHADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000666452384 885102310 /nfs/dbraw/zinc/10/23/10/885102310.db2.gz ZMBHGGYGXTWCEH-GOSISDBHSA-N 2 2 393.535 3.844 20 0 GHADLP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655767249 885403679 /nfs/dbraw/zinc/40/36/79/885403679.db2.gz ANWJQALKYSXTGM-LADGPHEKSA-N 2 2 380.532 3.822 20 0 GHADLP Cc1c[nH]c(CCNC(=O)CCC[NH+](Cc2ccccc2)Cc2ccccc2)[nH+]1 ZINC001183981713 912940229 /nfs/dbraw/zinc/94/02/29/912940229.db2.gz AOWJJPGEKGAAKV-UHFFFAOYSA-N 2 2 390.531 3.859 20 0 GHADLP FC(F)(F)Oc1ccc(C2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000655771099 885805160 /nfs/dbraw/zinc/80/51/60/885805160.db2.gz AFCRPQGKCXOZGV-GOSISDBHSA-N 2 2 384.442 3.807 20 0 GHADLP CC[NH+](CC)CCSCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000807950836 885889298 /nfs/dbraw/zinc/88/92/98/885889298.db2.gz XDAKAETZUDUIAJ-QGZVFWFLSA-N 2 2 392.613 3.506 20 0 GHADLP CC[NH+](CC)CCSCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000807950836 885889312 /nfs/dbraw/zinc/88/93/12/885889312.db2.gz XDAKAETZUDUIAJ-QGZVFWFLSA-N 2 2 392.613 3.506 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCCCc3cccs3)CC2)CC1 ZINC000109095652 886099617 /nfs/dbraw/zinc/09/96/17/886099617.db2.gz XSDGMDALZZEJLS-UHFFFAOYSA-N 2 2 377.598 3.526 20 0 GHADLP O=c1scc(-c2ccccn2)n1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000155076977 886241412 /nfs/dbraw/zinc/24/14/12/886241412.db2.gz ZFBRMHWNNIQMPZ-UHFFFAOYSA-N 2 2 386.565 3.517 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842023 886283363 /nfs/dbraw/zinc/28/33/63/886283363.db2.gz HIUSXWNLKMZHQA-VQTJNVASSA-N 2 2 379.548 3.554 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842023 886283375 /nfs/dbraw/zinc/28/33/75/886283375.db2.gz HIUSXWNLKMZHQA-VQTJNVASSA-N 2 2 379.548 3.554 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842023 886283391 /nfs/dbraw/zinc/28/33/91/886283391.db2.gz HIUSXWNLKMZHQA-VQTJNVASSA-N 2 2 379.548 3.554 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842023 886283405 /nfs/dbraw/zinc/28/34/05/886283405.db2.gz HIUSXWNLKMZHQA-VQTJNVASSA-N 2 2 379.548 3.554 20 0 GHADLP CCC(CC)[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000105138570 886387055 /nfs/dbraw/zinc/38/70/55/886387055.db2.gz VAFQTJNJVJWANI-JOCHJYFZSA-N 2 2 388.600 3.831 20 0 GHADLP CCC(CC)[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000105138570 886387074 /nfs/dbraw/zinc/38/70/74/886387074.db2.gz VAFQTJNJVJWANI-JOCHJYFZSA-N 2 2 388.600 3.831 20 0 GHADLP CC1CC[NH+](CCCNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000131790951 886552413 /nfs/dbraw/zinc/55/24/13/886552413.db2.gz HQRRDAAISIUHOE-FGZHOGPDSA-N 2 2 395.551 3.533 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)C2 ZINC000476511616 886653177 /nfs/dbraw/zinc/65/31/77/886653177.db2.gz SPTSVMKXPYJELR-GOSISDBHSA-N 2 2 382.552 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)C2 ZINC000476511616 886653185 /nfs/dbraw/zinc/65/31/85/886653185.db2.gz SPTSVMKXPYJELR-GOSISDBHSA-N 2 2 382.552 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)CC2 ZINC000476511616 886653198 /nfs/dbraw/zinc/65/31/98/886653198.db2.gz SPTSVMKXPYJELR-GOSISDBHSA-N 2 2 382.552 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000476511616 886653205 /nfs/dbraw/zinc/65/32/05/886653205.db2.gz SPTSVMKXPYJELR-GOSISDBHSA-N 2 2 382.552 3.665 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000119730168 886803664 /nfs/dbraw/zinc/80/36/64/886803664.db2.gz JQEHLZAHXPFYHA-INIZCTEOSA-N 2 2 376.566 3.680 20 0 GHADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C[C@H](C)O1 ZINC000532645909 886859018 /nfs/dbraw/zinc/85/90/18/886859018.db2.gz ORUAURFUHISPQA-PMACEKPBSA-N 3 2 382.552 3.584 20 0 GHADLP CCC[N@H+](Cc1ncc(C[NH+](C)C)s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809550822 887566716 /nfs/dbraw/zinc/56/67/16/887566716.db2.gz WJTOHVNENJLNHE-UHFFFAOYSA-N 2 2 396.601 3.816 20 0 GHADLP CCC[N@@H+](Cc1ncc(C[NH+](C)C)s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809550822 887566727 /nfs/dbraw/zinc/56/67/27/887566727.db2.gz WJTOHVNENJLNHE-UHFFFAOYSA-N 2 2 396.601 3.816 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@@H]21 ZINC000459358701 887660802 /nfs/dbraw/zinc/66/08/02/887660802.db2.gz NCZQUDBOCILTLA-GCJKJVERSA-N 2 2 379.552 3.976 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@@H]21 ZINC000459358701 887660806 /nfs/dbraw/zinc/66/08/06/887660806.db2.gz NCZQUDBOCILTLA-GCJKJVERSA-N 2 2 379.552 3.976 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@@H]21 ZINC000459358701 887660812 /nfs/dbraw/zinc/66/08/12/887660812.db2.gz NCZQUDBOCILTLA-GCJKJVERSA-N 2 2 379.552 3.976 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@@H]21 ZINC000459358701 887660819 /nfs/dbraw/zinc/66/08/19/887660819.db2.gz NCZQUDBOCILTLA-GCJKJVERSA-N 2 2 379.552 3.976 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCN(c4ncccc4Cl)C3)CC2)cc1 ZINC000119987808 887699685 /nfs/dbraw/zinc/69/96/85/887699685.db2.gz NFDXBKYGRQIETL-SFHVURJKSA-N 2 2 399.970 3.638 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000050801146 887709960 /nfs/dbraw/zinc/70/99/60/887709960.db2.gz ZLJSDMMTHIIGQR-UHFFFAOYSA-N 2 2 385.596 3.592 20 0 GHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2nc3ccc(Br)cc3s2)C1 ZINC000809767695 887754999 /nfs/dbraw/zinc/75/49/99/887754999.db2.gz RIMNKXZVRSPMGH-SWLSCSKDSA-N 2 2 380.355 3.975 20 0 GHADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2nc3ccc(Br)cc3s2)C1 ZINC000809767695 887755006 /nfs/dbraw/zinc/75/50/06/887755006.db2.gz RIMNKXZVRSPMGH-SWLSCSKDSA-N 2 2 380.355 3.975 20 0 GHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2nc3ccc(Br)cc3s2)C1 ZINC000809767695 887755014 /nfs/dbraw/zinc/75/50/14/887755014.db2.gz RIMNKXZVRSPMGH-SWLSCSKDSA-N 2 2 380.355 3.975 20 0 GHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2nc3ccc(Br)cc3s2)C1 ZINC000809767695 887755024 /nfs/dbraw/zinc/75/50/24/887755024.db2.gz RIMNKXZVRSPMGH-SWLSCSKDSA-N 2 2 380.355 3.975 20 0 GHADLP Cc1c2ccccc2oc1[C@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051761510 887782770 /nfs/dbraw/zinc/78/27/70/887782770.db2.gz QKBWJQNZGRWKIT-KRWDZBQOSA-N 2 2 398.551 3.660 20 0 GHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000809954081 888022082 /nfs/dbraw/zinc/02/20/82/888022082.db2.gz UUJZSONLSOANKJ-WTGUMLROSA-N 2 2 379.589 3.876 20 0 GHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000809954081 888022098 /nfs/dbraw/zinc/02/20/98/888022098.db2.gz UUJZSONLSOANKJ-WTGUMLROSA-N 2 2 379.589 3.876 20 0 GHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000809954081 888022106 /nfs/dbraw/zinc/02/21/06/888022106.db2.gz UUJZSONLSOANKJ-WTGUMLROSA-N 2 2 379.589 3.876 20 0 GHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000809954081 888022119 /nfs/dbraw/zinc/02/21/19/888022119.db2.gz UUJZSONLSOANKJ-WTGUMLROSA-N 2 2 379.589 3.876 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)CC(F)F ZINC000865430916 888346189 /nfs/dbraw/zinc/34/61/89/888346189.db2.gz VEBQWEWEBMWSNA-AWEZNQCLSA-N 2 2 398.429 3.650 20 0 GHADLP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000729684859 888593584 /nfs/dbraw/zinc/59/35/84/888593584.db2.gz XZDXIZWBHIMEDG-VQTJNVASSA-N 2 2 394.544 3.554 20 0 GHADLP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000729684859 888593595 /nfs/dbraw/zinc/59/35/95/888593595.db2.gz XZDXIZWBHIMEDG-VQTJNVASSA-N 2 2 394.544 3.554 20 0 GHADLP CC(C)[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H](O)c1ccccc1 ZINC000796070187 913269823 /nfs/dbraw/zinc/26/98/23/913269823.db2.gz DCQNJAHBGDMFMV-RPWUZVMVSA-N 2 2 381.564 3.547 20 0 GHADLP O[C@@H]1CCC[C@@]1(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(F)cc1 ZINC000428569875 888742262 /nfs/dbraw/zinc/74/22/62/888742262.db2.gz HDGGGYJXEGLNTF-PKTZIBPZSA-N 2 2 379.479 3.875 20 0 GHADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000532754882 888889003 /nfs/dbraw/zinc/88/90/03/888889003.db2.gz QYKOSKYXHNJDOT-WBVHZDCISA-N 2 2 391.968 3.613 20 0 GHADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000532754882 888889006 /nfs/dbraw/zinc/88/90/06/888889006.db2.gz QYKOSKYXHNJDOT-WBVHZDCISA-N 2 2 391.968 3.613 20 0 GHADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccc(Cl)s1 ZINC000532754882 888889011 /nfs/dbraw/zinc/88/90/11/888889011.db2.gz QYKOSKYXHNJDOT-WBVHZDCISA-N 2 2 391.968 3.613 20 0 GHADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccc(Cl)s1 ZINC000532754882 888889018 /nfs/dbraw/zinc/88/90/18/888889018.db2.gz QYKOSKYXHNJDOT-WBVHZDCISA-N 2 2 391.968 3.613 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C(C)(C)C1 ZINC000866464904 888892855 /nfs/dbraw/zinc/89/28/55/888892855.db2.gz AHHXGUZBTYGCSZ-GOSISDBHSA-N 2 2 388.556 3.676 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3c(F)cccc3N3CCCC3)[nH+]c2)CC1 ZINC000532866594 889162398 /nfs/dbraw/zinc/16/23/98/889162398.db2.gz XEGACRITDHCZFX-UHFFFAOYSA-N 2 2 397.542 3.963 20 0 GHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)c1ccccc1 ZINC000644546014 913357419 /nfs/dbraw/zinc/35/74/19/913357419.db2.gz KHZXPDVPJHRNRN-IEBWSBKVSA-N 2 2 381.520 3.627 20 0 GHADLP CCc1cc(C)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000124531901 889664747 /nfs/dbraw/zinc/66/47/47/889664747.db2.gz SDZKMGMSZASRCF-WOJBJXKFSA-N 2 2 375.557 3.560 20 0 GHADLP CCc1cc(C)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000124531901 889664751 /nfs/dbraw/zinc/66/47/51/889664751.db2.gz SDZKMGMSZASRCF-WOJBJXKFSA-N 2 2 375.557 3.560 20 0 GHADLP CN(C(=O)c1ccccc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124802584 889769079 /nfs/dbraw/zinc/76/90/79/889769079.db2.gz QYVHANPGWPBFAI-PMACEKPBSA-N 2 2 377.960 3.749 20 0 GHADLP CN(C(=O)c1ccccc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124802584 889769085 /nfs/dbraw/zinc/76/90/85/889769085.db2.gz QYVHANPGWPBFAI-PMACEKPBSA-N 2 2 377.960 3.749 20 0 GHADLP C[C@@H](Cc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124872009 889798217 /nfs/dbraw/zinc/79/82/17/889798217.db2.gz GRGQNKRMIDEEIU-VJBMBRPKSA-N 2 2 385.596 3.661 20 0 GHADLP C[C@@H](Cc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124872009 889798228 /nfs/dbraw/zinc/79/82/28/889798228.db2.gz GRGQNKRMIDEEIU-VJBMBRPKSA-N 2 2 385.596 3.661 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]CCC(=O)Nc2ccccc2F)c(C)c1 ZINC000644606598 913396621 /nfs/dbraw/zinc/39/66/21/913396621.db2.gz VUOZOMCTTKAWJA-NRFANRHFSA-N 2 2 380.467 3.999 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1Cc1ccccc1 ZINC000420385808 890096289 /nfs/dbraw/zinc/09/62/89/890096289.db2.gz FIVVJWGAKNBPSS-FYYLOGMGSA-N 2 2 377.532 3.680 20 0 GHADLP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1Cc1ccccc1 ZINC000420385808 890096303 /nfs/dbraw/zinc/09/63/03/890096303.db2.gz FIVVJWGAKNBPSS-FYYLOGMGSA-N 2 2 377.532 3.680 20 0 GHADLP COc1cc[nH+]cc1-n1ccc(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)c2ccnc1-2 ZINC001170665394 890415329 /nfs/dbraw/zinc/41/53/29/890415329.db2.gz PFXSZSKPIOQJLU-CQSZACIVSA-N 2 2 387.443 3.653 20 0 GHADLP O[C@@H]1CCC[C@@]1(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(F)cc1 ZINC000428570225 890591319 /nfs/dbraw/zinc/59/13/19/890591319.db2.gz HIHGUDZTPYRTBN-RTWAWAEBSA-N 2 2 385.508 3.936 20 0 GHADLP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000127103186 890894485 /nfs/dbraw/zinc/89/44/85/890894485.db2.gz RCSJYNBFSGBYIY-UXHICEINSA-N 2 2 388.462 3.593 20 0 GHADLP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000127103186 890894493 /nfs/dbraw/zinc/89/44/93/890894493.db2.gz RCSJYNBFSGBYIY-UXHICEINSA-N 2 2 388.462 3.593 20 0 GHADLP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1c[nH+]c2c(Br)cccn12 ZINC001170685859 890917451 /nfs/dbraw/zinc/91/74/51/890917451.db2.gz IBIMAUHFOASNGM-LBPRGKRZSA-N 2 2 382.265 3.969 20 0 GHADLP CN(C)C(=O)Nc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000812844328 891033946 /nfs/dbraw/zinc/03/39/46/891033946.db2.gz FHGKHYGESGQQDG-UHFFFAOYSA-N 2 2 395.551 3.605 20 0 GHADLP Cc1cc(C)c(NC(=O)NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)[nH+]1 ZINC000455490222 891044257 /nfs/dbraw/zinc/04/42/57/891044257.db2.gz WNAVMJNHCCYWIL-HDICACEKSA-N 2 2 396.535 3.938 20 0 GHADLP Cc1cc(C)c(NC(=O)NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)[nH+]1 ZINC000455490222 891044271 /nfs/dbraw/zinc/04/42/71/891044271.db2.gz WNAVMJNHCCYWIL-HDICACEKSA-N 2 2 396.535 3.938 20 0 GHADLP CC1CCC(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000533672727 891055603 /nfs/dbraw/zinc/05/56/03/891055603.db2.gz QXHKLBAFQUHQNN-FGGKUVOCSA-N 2 2 392.632 3.791 20 0 GHADLP CC1CCC(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000533672727 891055610 /nfs/dbraw/zinc/05/56/10/891055610.db2.gz QXHKLBAFQUHQNN-FGGKUVOCSA-N 2 2 392.632 3.791 20 0 GHADLP CC[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000533664133 891073344 /nfs/dbraw/zinc/07/33/44/891073344.db2.gz IYUFIKAQHUVVIH-NPDDRXJXSA-N 2 2 392.632 3.934 20 0 GHADLP CC[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000533664133 891073355 /nfs/dbraw/zinc/07/33/55/891073355.db2.gz IYUFIKAQHUVVIH-NPDDRXJXSA-N 2 2 392.632 3.934 20 0 GHADLP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248064138 891407298 /nfs/dbraw/zinc/40/72/98/891407298.db2.gz ZECDGYCYACRIQS-WIYYLYMNSA-N 2 2 377.536 3.630 20 0 GHADLP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248064138 891407305 /nfs/dbraw/zinc/40/73/05/891407305.db2.gz ZECDGYCYACRIQS-WIYYLYMNSA-N 2 2 377.536 3.630 20 0 GHADLP FC(F)Oc1ccc([C@H]2C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)cc1 ZINC000873208394 891523442 /nfs/dbraw/zinc/52/34/42/891523442.db2.gz NMTLFMCGWAIFHP-QGZVFWFLSA-N 2 2 380.460 3.569 20 0 GHADLP FC(F)Oc1ccc([C@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)cc1 ZINC000873208394 891523456 /nfs/dbraw/zinc/52/34/56/891523456.db2.gz NMTLFMCGWAIFHP-QGZVFWFLSA-N 2 2 380.460 3.569 20 0 GHADLP C[C@@H]1[C@@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000614903671 891576906 /nfs/dbraw/zinc/57/69/06/891576906.db2.gz VMCCDEMXXXWDLP-COPCDDAFSA-N 2 2 388.515 3.711 20 0 GHADLP C[C@@H]1[C@@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000614903671 891576912 /nfs/dbraw/zinc/57/69/12/891576912.db2.gz VMCCDEMXXXWDLP-COPCDDAFSA-N 2 2 388.515 3.711 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000873331043 891589199 /nfs/dbraw/zinc/58/91/99/891589199.db2.gz MHFXBHDZZNGTHI-OAQYLSRUSA-N 2 2 382.483 3.730 20 0 GHADLP O[C@H](C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000497817102 892492899 /nfs/dbraw/zinc/49/28/99/892492899.db2.gz LOIJACXMZSZJTH-BJKOFHAPSA-N 2 2 380.507 3.770 20 0 GHADLP O[C@H](C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)C[N@H+]1CCc2ccccc2C1 ZINC000497817102 892492905 /nfs/dbraw/zinc/49/29/05/892492905.db2.gz LOIJACXMZSZJTH-BJKOFHAPSA-N 2 2 380.507 3.770 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3OC3CCCCC3)CC2)CC1 ZINC000162475573 892578279 /nfs/dbraw/zinc/57/82/79/892578279.db2.gz DKJNOOGKPHWXFU-UHFFFAOYSA-N 2 2 399.579 3.687 20 0 GHADLP CCc1nc(C(C)C)ccc1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000645123532 913693564 /nfs/dbraw/zinc/69/35/64/913693564.db2.gz HLVIBHXBNUEKGW-DEOSSOPVSA-N 2 2 381.564 3.836 20 0 GHADLP CCc1nc(C(C)C)ccc1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000645123532 913693572 /nfs/dbraw/zinc/69/35/72/913693572.db2.gz HLVIBHXBNUEKGW-DEOSSOPVSA-N 2 2 381.564 3.836 20 0 GHADLP CCc1nc(C(C)C)ccc1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000645123532 913693580 /nfs/dbraw/zinc/69/35/80/913693580.db2.gz HLVIBHXBNUEKGW-DEOSSOPVSA-N 2 2 381.564 3.836 20 0 GHADLP CCc1nc(C(C)C)ccc1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000645123532 913693591 /nfs/dbraw/zinc/69/35/91/913693591.db2.gz HLVIBHXBNUEKGW-DEOSSOPVSA-N 2 2 381.564 3.836 20 0 GHADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508721213 892969668 /nfs/dbraw/zinc/96/96/68/892969668.db2.gz ULXSDISZBYXZNN-URXFXBBRSA-N 3 2 388.559 3.974 20 0 GHADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721213 892969684 /nfs/dbraw/zinc/96/96/84/892969684.db2.gz ULXSDISZBYXZNN-URXFXBBRSA-N 3 2 388.559 3.974 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cn1 ZINC000126332440 893481110 /nfs/dbraw/zinc/48/11/10/893481110.db2.gz DCAJDKZHFXUGNV-CQSZACIVSA-N 2 2 375.476 3.656 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000444789097 893509046 /nfs/dbraw/zinc/50/90/46/893509046.db2.gz BYMGCORLIUSUGH-AWEZNQCLSA-N 2 2 391.397 3.869 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000444789097 893509066 /nfs/dbraw/zinc/50/90/66/893509066.db2.gz BYMGCORLIUSUGH-AWEZNQCLSA-N 2 2 391.397 3.869 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1)c1cccc2ccccc21 ZINC000444796429 893550010 /nfs/dbraw/zinc/55/00/10/893550010.db2.gz BPBZHZMASCNCPA-HKUYNNGSSA-N 2 2 376.504 3.630 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1)c1cccc2ccccc21 ZINC000444796429 893550025 /nfs/dbraw/zinc/55/00/25/893550025.db2.gz BPBZHZMASCNCPA-HKUYNNGSSA-N 2 2 376.504 3.630 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)ccc1Cl ZINC000877624662 893726698 /nfs/dbraw/zinc/72/66/98/893726698.db2.gz GTNYLPDRAYHSTG-OXJNMPFZSA-N 2 2 399.922 3.979 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)ccc1Cl ZINC000877624662 893726707 /nfs/dbraw/zinc/72/67/07/893726707.db2.gz GTNYLPDRAYHSTG-OXJNMPFZSA-N 2 2 399.922 3.979 20 0 GHADLP C[C@@H]1C[C@@H](CC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000556120749 893836399 /nfs/dbraw/zinc/83/63/99/893836399.db2.gz YDUXWUURJFBFNY-POAQFYNOSA-N 2 2 381.549 3.846 20 0 GHADLP C[C@@H]1C[C@@H](CC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)C[N@H+]1Cc1ccccc1 ZINC000556120749 893836416 /nfs/dbraw/zinc/83/64/16/893836416.db2.gz YDUXWUURJFBFNY-POAQFYNOSA-N 2 2 381.549 3.846 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000536834860 893907340 /nfs/dbraw/zinc/90/73/40/893907340.db2.gz YGHVQEGHKXNAMY-NTKDMRAZSA-N 2 2 387.531 3.971 20 0 GHADLP C[NH+](C)CCOc1ccccc1-c1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000563567444 893913018 /nfs/dbraw/zinc/91/30/18/893913018.db2.gz JHBDZVQZZDKHJB-UHFFFAOYSA-N 2 2 389.459 3.589 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000536876440 893992637 /nfs/dbraw/zinc/99/26/37/893992637.db2.gz LMVQSMDGNRWVDC-WMZOPIPTSA-N 2 2 399.489 3.869 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000536876440 893992645 /nfs/dbraw/zinc/99/26/45/893992645.db2.gz LMVQSMDGNRWVDC-WMZOPIPTSA-N 2 2 399.489 3.869 20 0 GHADLP COc1cc2ccccc2cc1-c1nnc(C[N@@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000878288624 894165292 /nfs/dbraw/zinc/16/52/92/894165292.db2.gz ZVYVAQBCGFGFHZ-UHFFFAOYSA-N 2 2 391.475 3.925 20 0 GHADLP C[C@@H]([NH2+]Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccn(C)n2)c1)c1ccn(C)n1 ZINC000459776302 894179161 /nfs/dbraw/zinc/17/91/61/894179161.db2.gz DIBFIACSQWCKOG-GASCZTMLSA-N 2 2 386.931 3.509 20 0 GHADLP COc1cc2ccccc2cc1-c1nnc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000878302871 894180699 /nfs/dbraw/zinc/18/06/99/894180699.db2.gz ZKVASPMUFGDUKU-QGZVFWFLSA-N 2 2 389.459 3.621 20 0 GHADLP COc1cc2ccccc2cc1-c1nnc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000878302871 894180704 /nfs/dbraw/zinc/18/07/04/894180704.db2.gz ZKVASPMUFGDUKU-QGZVFWFLSA-N 2 2 389.459 3.621 20 0 GHADLP COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000564130550 894633020 /nfs/dbraw/zinc/63/30/20/894633020.db2.gz VQSJNUMTSKMBOR-GOSISDBHSA-N 2 2 385.508 3.516 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000537312392 894756789 /nfs/dbraw/zinc/75/67/89/894756789.db2.gz RYWJRIXKTQDRLY-LJQANCHMSA-N 2 2 382.401 3.571 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000537312392 894756797 /nfs/dbraw/zinc/75/67/97/894756797.db2.gz RYWJRIXKTQDRLY-LJQANCHMSA-N 2 2 382.401 3.571 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)s1 ZINC000816659656 895005400 /nfs/dbraw/zinc/00/54/00/895005400.db2.gz WBSOEHGTKWWOCO-UHFFFAOYSA-N 2 2 387.336 3.630 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)N(C(C)C)C(C)C)C2)s1 ZINC000564801235 895256305 /nfs/dbraw/zinc/25/63/05/895256305.db2.gz CYDDYDKTRYRQQQ-RTBURBONSA-N 2 2 379.614 3.844 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)N(C(C)C)C(C)C)C2)s1 ZINC000564801235 895256318 /nfs/dbraw/zinc/25/63/18/895256318.db2.gz CYDDYDKTRYRQQQ-RTBURBONSA-N 2 2 379.614 3.844 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N(C(C)C)C(C)C)C2)s1 ZINC000564801235 895256324 /nfs/dbraw/zinc/25/63/24/895256324.db2.gz CYDDYDKTRYRQQQ-RTBURBONSA-N 2 2 379.614 3.844 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N(C(C)C)C(C)C)C2)s1 ZINC000564801235 895256337 /nfs/dbraw/zinc/25/63/37/895256337.db2.gz CYDDYDKTRYRQQQ-RTBURBONSA-N 2 2 379.614 3.844 20 0 GHADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)n1cc[nH+]c1 ZINC000564802000 895257085 /nfs/dbraw/zinc/25/70/85/895257085.db2.gz JCWNAXCAIMLSQP-WTIAFYNJSA-N 2 2 388.515 3.619 20 0 GHADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)n1cc[nH+]c1 ZINC000564802000 895257093 /nfs/dbraw/zinc/25/70/93/895257093.db2.gz JCWNAXCAIMLSQP-WTIAFYNJSA-N 2 2 388.515 3.619 20 0 GHADLP C[C@H](c1cccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000565180156 895445544 /nfs/dbraw/zinc/44/55/44/895445544.db2.gz IRLCXAMVPGYSMH-KNQAVFIVSA-N 2 2 393.531 3.540 20 0 GHADLP C[C@H](c1cccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000565180156 895445564 /nfs/dbraw/zinc/44/55/64/895445564.db2.gz IRLCXAMVPGYSMH-KNQAVFIVSA-N 2 2 393.531 3.540 20 0 GHADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571056 895752345 /nfs/dbraw/zinc/75/23/45/895752345.db2.gz NAFOLMSRXSQOAV-IERDGZPVSA-N 2 2 398.457 3.712 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ncc(C3OCCO3)s2)cc1 ZINC000289040364 914010024 /nfs/dbraw/zinc/01/00/24/914010024.db2.gz AQDNEXROFMBDIC-MRXNPFEDSA-N 2 2 387.549 3.853 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ncc(C3OCCO3)s2)cc1 ZINC000289040364 914010043 /nfs/dbraw/zinc/01/00/43/914010043.db2.gz AQDNEXROFMBDIC-MRXNPFEDSA-N 2 2 387.549 3.853 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000566246179 896198269 /nfs/dbraw/zinc/19/82/69/896198269.db2.gz LYPFVNCFTOVNMX-JUXOCIIHSA-N 2 2 381.520 3.824 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000566246179 896198274 /nfs/dbraw/zinc/19/82/74/896198274.db2.gz LYPFVNCFTOVNMX-JUXOCIIHSA-N 2 2 381.520 3.824 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000566444570 896317506 /nfs/dbraw/zinc/31/75/06/896317506.db2.gz ICXMEGRKMHJLLG-UHFFFAOYSA-N 2 2 394.563 3.564 20 0 GHADLP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000566517293 896349638 /nfs/dbraw/zinc/34/96/38/896349638.db2.gz DTPIZPXOXFBKGB-QFIPXVFZSA-N 2 2 386.503 3.758 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)N(C)C3CCCCC3)C2)s1 ZINC000566645819 896449325 /nfs/dbraw/zinc/44/93/25/896449325.db2.gz ATVPCWPKEPMFEY-MOPGFXCFSA-N 2 2 391.625 3.990 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)N(C)C3CCCCC3)C2)s1 ZINC000566645819 896449334 /nfs/dbraw/zinc/44/93/34/896449334.db2.gz ATVPCWPKEPMFEY-MOPGFXCFSA-N 2 2 391.625 3.990 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)N(C)C3CCCCC3)C2)s1 ZINC000566645819 896449340 /nfs/dbraw/zinc/44/93/40/896449340.db2.gz ATVPCWPKEPMFEY-MOPGFXCFSA-N 2 2 391.625 3.990 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)N(C)C3CCCCC3)C2)s1 ZINC000566645819 896449349 /nfs/dbraw/zinc/44/93/49/896449349.db2.gz ATVPCWPKEPMFEY-MOPGFXCFSA-N 2 2 391.625 3.990 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000819182765 896452651 /nfs/dbraw/zinc/45/26/51/896452651.db2.gz HZFHUGPSYMOMMU-QRWLVFNGSA-N 2 2 393.453 3.949 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819182524 896452662 /nfs/dbraw/zinc/45/26/62/896452662.db2.gz FUPWBJNKJGLVOG-VBKZILBWSA-N 2 2 377.891 3.723 20 0 GHADLP O[C@@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(Cl)cc1 ZINC000819274249 896559513 /nfs/dbraw/zinc/55/95/13/896559513.db2.gz GINAWQHPYBFGDZ-JCYILVPMSA-N 2 2 376.850 3.768 20 0 GHADLP CC[C@H](NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1csc(C)c1 ZINC000645897311 914114784 /nfs/dbraw/zinc/11/47/84/914114784.db2.gz DGTIGGSBPUMGJV-FQEVSTJZSA-N 2 2 392.613 3.709 20 0 GHADLP CC[C@H](NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1csc(C)c1 ZINC000645897311 914114794 /nfs/dbraw/zinc/11/47/94/914114794.db2.gz DGTIGGSBPUMGJV-FQEVSTJZSA-N 2 2 392.613 3.709 20 0 GHADLP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000567523637 897223435 /nfs/dbraw/zinc/22/34/35/897223435.db2.gz HOKUODIQVBLAJU-MJCUUPPCSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000567523637 897223445 /nfs/dbraw/zinc/22/34/45/897223445.db2.gz HOKUODIQVBLAJU-MJCUUPPCSA-N 2 2 392.632 3.790 20 0 GHADLP CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC001136348315 897371851 /nfs/dbraw/zinc/37/18/51/897371851.db2.gz FMCVXQLBIVDOLS-OAQYLSRUSA-N 2 2 389.559 3.761 20 0 GHADLP CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC001136348315 897371860 /nfs/dbraw/zinc/37/18/60/897371860.db2.gz FMCVXQLBIVDOLS-OAQYLSRUSA-N 2 2 389.559 3.761 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000796290481 914155236 /nfs/dbraw/zinc/15/52/36/914155236.db2.gz ZDPDEVNBSZTXSE-UHFFFAOYSA-N 2 2 397.604 3.549 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000568144389 897634571 /nfs/dbraw/zinc/63/45/71/897634571.db2.gz IHJCVUZSQHMMOY-PZJWPPBQSA-N 2 2 389.503 3.853 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000568144389 897634576 /nfs/dbraw/zinc/63/45/76/897634576.db2.gz IHJCVUZSQHMMOY-PZJWPPBQSA-N 2 2 389.503 3.853 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)[N@@H+]1CCc2sccc2C1 ZINC001136515723 898144418 /nfs/dbraw/zinc/14/44/18/898144418.db2.gz XEFCDFMNYVRHKU-JENIJYKNSA-N 2 2 398.576 3.677 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)[N@H+]1CCc2sccc2C1 ZINC001136515723 898144429 /nfs/dbraw/zinc/14/44/29/898144429.db2.gz XEFCDFMNYVRHKU-JENIJYKNSA-N 2 2 398.576 3.677 20 0 GHADLP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000823015075 898773048 /nfs/dbraw/zinc/77/30/48/898773048.db2.gz ZTYCKLLWYJILNU-NXHRZFHOSA-N 2 2 392.425 3.520 20 0 GHADLP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000823015075 898773056 /nfs/dbraw/zinc/77/30/56/898773056.db2.gz ZTYCKLLWYJILNU-NXHRZFHOSA-N 2 2 392.425 3.520 20 0 GHADLP COCCn1cc2c(n1)[C@@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)CCC2 ZINC000569926795 899028215 /nfs/dbraw/zinc/02/82/15/899028215.db2.gz STKCXWHJTQQIIA-YADHBBJMSA-N 2 2 394.563 3.694 20 0 GHADLP COCCn1cc2c(n1)[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)CCC2 ZINC000569926795 899028226 /nfs/dbraw/zinc/02/82/26/899028226.db2.gz STKCXWHJTQQIIA-YADHBBJMSA-N 2 2 394.563 3.694 20 0 GHADLP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000884195328 899313173 /nfs/dbraw/zinc/31/31/73/899313173.db2.gz JNOPBVQTTUTDQN-OAQYLSRUSA-N 2 2 399.498 3.876 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]CCC(=O)Nc2cccc(F)c2)c(C)c1 ZINC000570711523 899524862 /nfs/dbraw/zinc/52/48/62/899524862.db2.gz WBPYBOAOQQFRAZ-NRFANRHFSA-N 2 2 380.467 3.999 20 0 GHADLP CSc1cc2c(cc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)OCCO2 ZINC000289875700 914395118 /nfs/dbraw/zinc/39/51/18/914395118.db2.gz WKLCUSLBWXDCMD-UHFFFAOYSA-N 2 2 381.501 3.714 20 0 GHADLP Fc1cccc2[nH]cc(C[NH+]3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)c21 ZINC001136982909 899955200 /nfs/dbraw/zinc/95/52/00/899955200.db2.gz JBCFCCQNBGLEQG-UHFFFAOYSA-N 2 2 380.467 3.573 20 0 GHADLP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333195089 900026544 /nfs/dbraw/zinc/02/65/44/900026544.db2.gz WYAWUOLZIHWTFZ-HNNXBMFYSA-N 2 2 377.492 3.809 20 0 GHADLP C[NH+](C)CCOc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c(F)c1 ZINC000572375623 900162615 /nfs/dbraw/zinc/16/26/15/900162615.db2.gz RACAIJFNHMITFE-IBGZPJMESA-N 2 2 393.890 3.661 20 0 GHADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000573397910 900495625 /nfs/dbraw/zinc/49/56/25/900495625.db2.gz KJKRRGNGNIVFCQ-DOTOQJQBSA-N 2 2 384.549 3.758 20 0 GHADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000573397910 900495642 /nfs/dbraw/zinc/49/56/42/900495642.db2.gz KJKRRGNGNIVFCQ-DOTOQJQBSA-N 2 2 384.549 3.758 20 0 GHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)CC(=O)N2CCCC[C@@H]2C)cc1 ZINC000575188707 901153965 /nfs/dbraw/zinc/15/39/65/901153965.db2.gz DNFJZOHSOPEZOW-FQEVSTJZSA-N 2 2 398.551 3.575 20 0 GHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CC(=O)N2CCCC[C@@H]2C)cc1 ZINC000575188707 901153967 /nfs/dbraw/zinc/15/39/67/901153967.db2.gz DNFJZOHSOPEZOW-FQEVSTJZSA-N 2 2 398.551 3.575 20 0 GHADLP C[N@H+](Cc1cccc(OC(F)F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080987270 901309669 /nfs/dbraw/zinc/30/96/69/901309669.db2.gz AGLMMMMULIKMBZ-UHFFFAOYSA-N 2 2 375.463 3.822 20 0 GHADLP C[N@@H+](Cc1cccc(OC(F)F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080987270 901309688 /nfs/dbraw/zinc/30/96/88/901309688.db2.gz AGLMMMMULIKMBZ-UHFFFAOYSA-N 2 2 375.463 3.822 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+](C)CCCn3cc[nH+]c3)cs2)cc1OC ZINC000124226748 902040251 /nfs/dbraw/zinc/04/02/51/902040251.db2.gz UVFCIJBXRCOTII-UHFFFAOYSA-N 2 2 386.521 3.936 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+](C)CCCn3cc[nH+]c3)cs2)cc1OC ZINC000124226748 902040258 /nfs/dbraw/zinc/04/02/58/902040258.db2.gz UVFCIJBXRCOTII-UHFFFAOYSA-N 2 2 386.521 3.936 20 0 GHADLP COC(=O)c1ccc([C@H](C)[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)o1 ZINC000576550779 902090008 /nfs/dbraw/zinc/09/00/08/902090008.db2.gz BGKKIFHQRZCKII-JKSUJKDBSA-N 2 2 376.522 3.951 20 0 GHADLP COC(=O)c1ccc([C@H](C)[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)o1 ZINC000576550779 902090016 /nfs/dbraw/zinc/09/00/16/902090016.db2.gz BGKKIFHQRZCKII-JKSUJKDBSA-N 2 2 376.522 3.951 20 0 GHADLP COC(=O)c1ccc([C@H](C)[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)o1 ZINC000576550779 902090030 /nfs/dbraw/zinc/09/00/30/902090030.db2.gz BGKKIFHQRZCKII-JKSUJKDBSA-N 2 2 376.522 3.951 20 0 GHADLP COC(=O)c1ccc([C@H](C)[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)o1 ZINC000576550779 902090046 /nfs/dbraw/zinc/09/00/46/902090046.db2.gz BGKKIFHQRZCKII-JKSUJKDBSA-N 2 2 376.522 3.951 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c(F)cc(O)cc1F)CC2 ZINC001144550734 902363491 /nfs/dbraw/zinc/36/34/91/902363491.db2.gz WVBDWRCSOHNWRT-OAHLLOKOSA-N 2 2 392.446 3.519 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c(F)cc(O)cc1F)CC2 ZINC001144550734 902363501 /nfs/dbraw/zinc/36/35/01/902363501.db2.gz WVBDWRCSOHNWRT-OAHLLOKOSA-N 2 2 392.446 3.519 20 0 GHADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1cc(OC)c(OC)c(OC)c1 ZINC000846142967 902746763 /nfs/dbraw/zinc/74/67/63/902746763.db2.gz GSOIWLQTCJQNBC-SFHVURJKSA-N 2 2 396.491 3.842 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(CC[NH+]1CCCCCC1)C1CCC1)C2 ZINC000577684330 903045503 /nfs/dbraw/zinc/04/55/03/903045503.db2.gz YAKNWZNVBWGKHH-SFHVURJKSA-N 2 2 386.584 3.895 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(CC[NH+]1CCCCCC1)C1CCC1)CC2 ZINC000577684330 903045516 /nfs/dbraw/zinc/04/55/16/903045516.db2.gz YAKNWZNVBWGKHH-SFHVURJKSA-N 2 2 386.584 3.895 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(Br)c(C)c3)CC2)CC1 ZINC001171278675 903562745 /nfs/dbraw/zinc/56/27/45/903562745.db2.gz QUNZJGZKFIKFSH-UHFFFAOYSA-N 2 2 394.401 3.750 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(Br)c(C)c3)CC2)CC1 ZINC001171278675 903562752 /nfs/dbraw/zinc/56/27/52/903562752.db2.gz QUNZJGZKFIKFSH-UHFFFAOYSA-N 2 2 394.401 3.750 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(Br)c(C)c3)CC2)CC1 ZINC001171278675 903562759 /nfs/dbraw/zinc/56/27/59/903562759.db2.gz QUNZJGZKFIKFSH-UHFFFAOYSA-N 2 2 394.401 3.750 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(Br)c(C)c3)CC2)CC1 ZINC001171278675 903562765 /nfs/dbraw/zinc/56/27/65/903562765.db2.gz QUNZJGZKFIKFSH-UHFFFAOYSA-N 2 2 394.401 3.750 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000290560362 914732982 /nfs/dbraw/zinc/73/29/82/914732982.db2.gz ZPDBIBQUBWGJPT-UHFFFAOYSA-N 2 2 399.516 3.703 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000290560362 914732997 /nfs/dbraw/zinc/73/29/97/914732997.db2.gz ZPDBIBQUBWGJPT-UHFFFAOYSA-N 2 2 399.516 3.703 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Br)nc1 ZINC000290601077 914751579 /nfs/dbraw/zinc/75/15/79/914751579.db2.gz HFKCMFKYCXZCDO-CZUORRHYSA-N 2 2 390.329 3.553 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000265416304 903877168 /nfs/dbraw/zinc/87/71/68/903877168.db2.gz DOCVSPHLQLLTBZ-KRWDZBQOSA-N 2 2 385.512 3.542 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)C2=O)cc1 ZINC000773019201 904378893 /nfs/dbraw/zinc/37/88/93/904378893.db2.gz XESIEVYPKRQFIJ-PTUXOGIPSA-N 2 2 377.532 3.601 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)C2=O)cc1 ZINC000773019201 904378904 /nfs/dbraw/zinc/37/89/04/904378904.db2.gz XESIEVYPKRQFIJ-PTUXOGIPSA-N 2 2 377.532 3.601 20 0 GHADLP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(Nc3nccnc3C[NH3+])c2c1C ZINC001171443289 904683129 /nfs/dbraw/zinc/68/31/29/904683129.db2.gz BBYBSSLKQBJUCK-UHFFFAOYSA-N 2 2 397.552 3.532 20 0 GHADLP C[C@H]1CC2(C[N@@H+]1CCC[NH+]1CCN(c3ccc(Cl)cc3)CC1)CCOCC2 ZINC001171480380 904753420 /nfs/dbraw/zinc/75/34/20/904753420.db2.gz RKOLMYQBNGKNEO-IBGZPJMESA-N 2 2 391.987 3.743 20 0 GHADLP C[C@H]1CC2(C[N@H+]1CCC[NH+]1CCN(c3ccc(Cl)cc3)CC1)CCOCC2 ZINC001171480380 904753433 /nfs/dbraw/zinc/75/34/33/904753433.db2.gz RKOLMYQBNGKNEO-IBGZPJMESA-N 2 2 391.987 3.743 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OC(=O)c1cccs1 ZINC001137258438 904785632 /nfs/dbraw/zinc/78/56/32/904785632.db2.gz LUWYTXSUYXGPBW-OAQYLSRUSA-N 2 2 386.517 3.504 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OC(=O)c1cccs1 ZINC001137258438 904785643 /nfs/dbraw/zinc/78/56/43/904785643.db2.gz LUWYTXSUYXGPBW-OAQYLSRUSA-N 2 2 386.517 3.504 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1OC(=O)c1cccs1 ZINC001137258438 904785654 /nfs/dbraw/zinc/78/56/54/904785654.db2.gz LUWYTXSUYXGPBW-OAQYLSRUSA-N 2 2 386.517 3.504 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1OC(=O)c1cccs1 ZINC001137258438 904785662 /nfs/dbraw/zinc/78/56/62/904785662.db2.gz LUWYTXSUYXGPBW-OAQYLSRUSA-N 2 2 386.517 3.504 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCc3[nH+]ccn3CC2)C[C@H]1C(C)(C)C ZINC001171612587 904874925 /nfs/dbraw/zinc/87/49/25/904874925.db2.gz KRYTZOMIOJWKDE-IRXDYDNUSA-N 2 2 376.545 3.555 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)C[C@H]1C(C)(C)C ZINC001171612587 904874941 /nfs/dbraw/zinc/87/49/41/904874941.db2.gz KRYTZOMIOJWKDE-IRXDYDNUSA-N 2 2 376.545 3.555 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CC12CCC2 ZINC001171843923 905093745 /nfs/dbraw/zinc/09/37/45/905093745.db2.gz DXECFVKREJPBFF-WOJBJXKFSA-N 2 2 385.552 3.694 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CC12CCC2 ZINC001171843923 905093764 /nfs/dbraw/zinc/09/37/64/905093764.db2.gz DXECFVKREJPBFF-WOJBJXKFSA-N 2 2 385.552 3.694 20 0 GHADLP O=C(c1ccccc1)N1CCC[C@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001171889620 905124736 /nfs/dbraw/zinc/12/47/36/905124736.db2.gz YXAXVGQAIVPUNB-FQEVSTJZSA-N 2 2 379.504 3.620 20 0 GHADLP CCOc1ccc([C@@H](CO)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171963900 905171609 /nfs/dbraw/zinc/17/16/09/905171609.db2.gz FSLCFFLIVHZESN-NHCUHLMSSA-N 2 2 383.536 3.547 20 0 GHADLP CCOc1ccc([C@@H](CO)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171963900 905171613 /nfs/dbraw/zinc/17/16/13/905171613.db2.gz FSLCFFLIVHZESN-NHCUHLMSSA-N 2 2 383.536 3.547 20 0 GHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001171966792 905174490 /nfs/dbraw/zinc/17/44/90/905174490.db2.gz NJBNDIMSWPSFSX-INIZCTEOSA-N 2 2 392.469 3.945 20 0 GHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001171966792 905174500 /nfs/dbraw/zinc/17/45/00/905174500.db2.gz NJBNDIMSWPSFSX-INIZCTEOSA-N 2 2 392.469 3.945 20 0 GHADLP CC1CC[NH+](CC[NH2+]C2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC001171991194 905203540 /nfs/dbraw/zinc/20/35/40/905203540.db2.gz SWKMLSFPSCFKGI-UHFFFAOYSA-N 2 2 380.374 3.739 20 0 GHADLP c1csc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)n1 ZINC001172080819 905294371 /nfs/dbraw/zinc/29/43/71/905294371.db2.gz XDPVKHNXXOTCCJ-WKCHPHFGSA-N 2 2 382.577 3.851 20 0 GHADLP c1csc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)n1 ZINC001172080819 905294389 /nfs/dbraw/zinc/29/43/89/905294389.db2.gz XDPVKHNXXOTCCJ-WKCHPHFGSA-N 2 2 382.577 3.851 20 0 GHADLP COc1ccccc1[C@@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066926 905333579 /nfs/dbraw/zinc/33/35/79/905333579.db2.gz DGIIVDHOKGPHOD-CUDBPUKSSA-N 2 2 380.532 3.904 20 0 GHADLP COc1ccccc1[C@@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066926 905333595 /nfs/dbraw/zinc/33/35/95/905333595.db2.gz DGIIVDHOKGPHOD-CUDBPUKSSA-N 2 2 380.532 3.904 20 0 GHADLP CC[C@H](C)OCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC001172337720 905504383 /nfs/dbraw/zinc/50/43/83/905504383.db2.gz QTNNHYNTIDTDPN-ROUUACIJSA-N 2 2 376.541 3.621 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)CCN1C(=O)OC(C)(C)C ZINC001172641584 905703589 /nfs/dbraw/zinc/70/35/89/905703589.db2.gz GYWIOUDKUPYNFR-NMLBUPMWSA-N 2 2 379.589 3.971 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)CCN1C(=O)OC(C)(C)C ZINC001172641584 905703600 /nfs/dbraw/zinc/70/36/00/905703600.db2.gz GYWIOUDKUPYNFR-NMLBUPMWSA-N 2 2 379.589 3.971 20 0 GHADLP CCCC[C@@H]1C[C@H]([NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)CCN1C(=O)OC(C)(C)C ZINC001172641584 905703615 /nfs/dbraw/zinc/70/36/15/905703615.db2.gz GYWIOUDKUPYNFR-NMLBUPMWSA-N 2 2 379.589 3.971 20 0 GHADLP CCCC[C@@H]1C[C@H]([NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)CCN1C(=O)OC(C)(C)C ZINC001172641584 905703618 /nfs/dbraw/zinc/70/36/18/905703618.db2.gz GYWIOUDKUPYNFR-NMLBUPMWSA-N 2 2 379.589 3.971 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(-c4ccccc4)oc3C)CC2)CC1 ZINC000627794646 905755114 /nfs/dbraw/zinc/75/51/14/905755114.db2.gz KLGAFNAZVRFJCP-UHFFFAOYSA-N 2 2 395.547 3.887 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(-c4ccccc4)oc3C)CC2)CC1 ZINC000627794646 905755119 /nfs/dbraw/zinc/75/51/19/905755119.db2.gz KLGAFNAZVRFJCP-UHFFFAOYSA-N 2 2 395.547 3.887 20 0 GHADLP C[NH+]1CCC(c2ccc([N@@H+]3C=CC(=NC(=O)OC(C)(C)C)C(N)=C3)cc2)CC1 ZINC001212689179 905972349 /nfs/dbraw/zinc/97/23/49/905972349.db2.gz PYTSAJLKWVDBCX-UHFFFAOYSA-N 2 2 382.508 3.705 20 0 GHADLP C[NH+]1CCC(c2ccc([N@H+]3C=CC(=NC(=O)OC(C)(C)C)C(N)=C3)cc2)CC1 ZINC001212689179 905972354 /nfs/dbraw/zinc/97/23/54/905972354.db2.gz PYTSAJLKWVDBCX-UHFFFAOYSA-N 2 2 382.508 3.705 20 0 GHADLP COc1cccc2c1C[C@H]([N@@H+]1CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)CO2 ZINC001173167269 906289064 /nfs/dbraw/zinc/28/90/64/906289064.db2.gz FGZLXYKWFYVPGC-OFVILXPXSA-N 2 2 392.543 3.987 20 0 GHADLP COc1cccc2c1C[C@H]([N@H+]1CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)CO2 ZINC001173167269 906289075 /nfs/dbraw/zinc/28/90/75/906289075.db2.gz FGZLXYKWFYVPGC-OFVILXPXSA-N 2 2 392.543 3.987 20 0 GHADLP COc1cccc2c1C[C@H]([NH+]1CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C1)CO2 ZINC001173167269 906289090 /nfs/dbraw/zinc/28/90/90/906289090.db2.gz FGZLXYKWFYVPGC-OFVILXPXSA-N 2 2 392.543 3.987 20 0 GHADLP COc1cccc2c1C[C@H]([NH+]1CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C1)CO2 ZINC001173167269 906289104 /nfs/dbraw/zinc/28/91/04/906289104.db2.gz FGZLXYKWFYVPGC-OFVILXPXSA-N 2 2 392.543 3.987 20 0 GHADLP Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(-n4cc[nH+]c4C)c(F)c3)c(C)n2n1 ZINC000179407595 906495349 /nfs/dbraw/zinc/49/53/49/906495349.db2.gz AFQQSZBDWJJBFC-CQSZACIVSA-N 2 2 378.455 3.830 20 0 GHADLP COCCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000181380218 906985589 /nfs/dbraw/zinc/98/55/89/906985589.db2.gz VRDLHOULAIZZSF-KRWDZBQOSA-N 2 2 387.593 3.998 20 0 GHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)C[C@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000192146017 907471381 /nfs/dbraw/zinc/47/13/81/907471381.db2.gz IDWRGSQXCDGQDS-OAQYLSRUSA-N 2 2 397.519 3.660 20 0 GHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C[C@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000192146017 907471386 /nfs/dbraw/zinc/47/13/86/907471386.db2.gz IDWRGSQXCDGQDS-OAQYLSRUSA-N 2 2 397.519 3.660 20 0 GHADLP C[NH+](C)Cc1cc(C[NH2+]Cc2ncc(Br)cc2Cl)ccc1F ZINC000631073980 907584378 /nfs/dbraw/zinc/58/43/78/907584378.db2.gz SEYLEEYARRQRQK-UHFFFAOYSA-N 2 2 386.696 3.988 20 0 GHADLP CC[C@@](C)([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1nc(C)cs1 ZINC000631079921 907586023 /nfs/dbraw/zinc/58/60/23/907586023.db2.gz LXCKBUPIPDGGMB-OAQYLSRUSA-N 2 2 389.565 3.578 20 0 GHADLP Cc1c(-c2cc(C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)on2)cnn1C ZINC000184606450 907619208 /nfs/dbraw/zinc/61/92/08/907619208.db2.gz SZDPVOXNMHNSEK-YLJYHZDGSA-N 2 2 393.535 3.868 20 0 GHADLP Cc1c(-c2cc(C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)on2)cnn1C ZINC000184606450 907619216 /nfs/dbraw/zinc/61/92/16/907619216.db2.gz SZDPVOXNMHNSEK-YLJYHZDGSA-N 2 2 393.535 3.868 20 0 GHADLP Cc1c(-c2cc(C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)on2)cnn1C ZINC000184606450 907619218 /nfs/dbraw/zinc/61/92/18/907619218.db2.gz SZDPVOXNMHNSEK-YLJYHZDGSA-N 2 2 393.535 3.868 20 0 GHADLP Cc1c(-c2cc(C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)on2)cnn1C ZINC000184606450 907619225 /nfs/dbraw/zinc/61/92/25/907619225.db2.gz SZDPVOXNMHNSEK-YLJYHZDGSA-N 2 2 393.535 3.868 20 0 GHADLP CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(OCC[NH+](C)C)cc1 ZINC001176230137 907996403 /nfs/dbraw/zinc/99/64/03/907996403.db2.gz YHBDRNKZTZNWQS-UHFFFAOYSA-N 2 2 381.480 3.522 20 0 GHADLP C[NH+](C)Cc1ccc(Nc2cc(I)c3[nH+]ccn3c2)cc1 ZINC001176290622 908015780 /nfs/dbraw/zinc/01/57/80/908015780.db2.gz NWFLPHNNLSSAED-UHFFFAOYSA-N 2 2 392.244 3.744 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)CCC2 ZINC000366208197 921377466 /nfs/dbraw/zinc/37/74/66/921377466.db2.gz GZAGMQVYXXKWDP-RDJZCZTQSA-N 2 2 388.943 3.749 20 0 GHADLP c1ccc(Cn2c(C[NH+]3CCCC3)nnc2SCCC[NH+]2CCCC2)cc1 ZINC000188199284 908188555 /nfs/dbraw/zinc/18/85/55/908188555.db2.gz GMFGKUQUVWYBKI-UHFFFAOYSA-N 2 2 385.581 3.500 20 0 GHADLP COc1cc(C[NH+](C)C)ccc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000633376943 908296950 /nfs/dbraw/zinc/29/69/50/908296950.db2.gz FHOFGKHPBXSFEB-GOSISDBHSA-N 2 2 378.476 3.641 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Br)c3cccnc23)C[C@H](C)O1 ZINC001177166313 908415464 /nfs/dbraw/zinc/41/54/64/908415464.db2.gz OFUTZFPVCTXFEO-GASCZTMLSA-N 2 2 392.341 3.586 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Br)c3cccnc23)C[C@H](C)O1 ZINC001177166313 908415470 /nfs/dbraw/zinc/41/54/70/908415470.db2.gz OFUTZFPVCTXFEO-GASCZTMLSA-N 2 2 392.341 3.586 20 0 GHADLP CCCCOc1ccccc1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001177266159 908507522 /nfs/dbraw/zinc/50/75/22/908507522.db2.gz BJRORZNUWJDYFP-UHFFFAOYSA-N 2 2 381.564 3.903 20 0 GHADLP COc1cccc([C@H]([NH3+])c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c1 ZINC000634553789 908763148 /nfs/dbraw/zinc/76/31/48/908763148.db2.gz HRPIDKHSLZEGDG-FQEVSTJZSA-N 2 2 378.476 3.779 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1C ZINC000777486013 908852547 /nfs/dbraw/zinc/85/25/47/908852547.db2.gz GLVHUJQYUUWUNW-HSZRJFAPSA-N 2 2 396.535 3.561 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1C ZINC000777486013 908852570 /nfs/dbraw/zinc/85/25/70/908852570.db2.gz GLVHUJQYUUWUNW-HSZRJFAPSA-N 2 2 396.535 3.561 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2c(Br)c3ccccc3n2C)CCCO1 ZINC001178472643 909070056 /nfs/dbraw/zinc/07/00/56/909070056.db2.gz FSDKDTULYDSTES-OAHLLOKOSA-N 2 2 394.357 3.531 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2c(Br)c3ccccc3n2C)CCCO1 ZINC001178472643 909070068 /nfs/dbraw/zinc/07/00/68/909070068.db2.gz FSDKDTULYDSTES-OAHLLOKOSA-N 2 2 394.357 3.531 20 0 GHADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)Nc1ccccc1C[NH+]1CCSCC1 ZINC000635453080 909253843 /nfs/dbraw/zinc/25/38/43/909253843.db2.gz MCUOJRVNYKTKLD-INIZCTEOSA-N 2 2 398.454 3.564 20 0 GHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000635494114 909271800 /nfs/dbraw/zinc/27/18/00/909271800.db2.gz GBQKLPCWYPWYHW-HOCLYGCPSA-N 2 2 382.430 3.622 20 0 GHADLP CC(C)C[C@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)n1cc[nH+]c1 ZINC000635874562 909366877 /nfs/dbraw/zinc/36/68/77/909366877.db2.gz JCYZPGIUSNWUPN-JOCHJYFZSA-N 2 2 397.567 3.887 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(N2CCOC2=O)cc1 ZINC000268740613 909991681 /nfs/dbraw/zinc/99/16/81/909991681.db2.gz CXOJSDAENCBQFR-KRWDZBQOSA-N 2 2 376.460 3.739 20 0 GHADLP CCC[NH+]1CCC(N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000270228542 910487720 /nfs/dbraw/zinc/48/77/20/910487720.db2.gz ICFSGGRWMAQHMY-UHFFFAOYSA-N 2 2 393.535 3.940 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1Br ZINC000271516952 910939945 /nfs/dbraw/zinc/93/99/45/910939945.db2.gz OSKKSSXUNYOGDO-UYHISHBKSA-N 2 2 385.321 3.617 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CCCc2ccc(C[NH3+])nc21)c1ccccc1Cl ZINC001182223825 911318365 /nfs/dbraw/zinc/31/83/65/911318365.db2.gz LREJMGBTVXTFRT-IBGZPJMESA-N 2 2 386.927 3.556 20 0 GHADLP Cc1ccc(-c2nn(C)cc2C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)o1 ZINC000647196032 915078993 /nfs/dbraw/zinc/07/89/93/915078993.db2.gz MMEBQCUXAZRMCO-QGZVFWFLSA-N 2 2 379.508 3.699 20 0 GHADLP CN(C(=O)C1=C(c2ccccc2)CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648310826 915610749 /nfs/dbraw/zinc/61/07/49/915610749.db2.gz OZRQGHCCWKKKQC-NRFANRHFSA-N 2 2 381.564 3.641 20 0 GHADLP CN(C(=O)C1=C(c2ccccc2)CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648310826 915610755 /nfs/dbraw/zinc/61/07/55/915610755.db2.gz OZRQGHCCWKKKQC-NRFANRHFSA-N 2 2 381.564 3.641 20 0 GHADLP CSCc1cnc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000294218409 916656228 /nfs/dbraw/zinc/65/62/28/916656228.db2.gz SFHCATDHEKIARA-IYBDPMFKSA-N 2 2 391.606 3.905 20 0 GHADLP CSCc1cnc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000294218409 916656236 /nfs/dbraw/zinc/65/62/36/916656236.db2.gz SFHCATDHEKIARA-IYBDPMFKSA-N 2 2 391.606 3.905 20 0 GHADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)ccc1OC ZINC000775368662 917183681 /nfs/dbraw/zinc/18/36/81/917183681.db2.gz DGBOTNLWTKLPJY-GOSISDBHSA-N 3 2 384.568 3.963 20 0 GHADLP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC001191079409 917743722 /nfs/dbraw/zinc/74/37/22/917743722.db2.gz YCVYXZHBZWBOEO-ZIFCJYIRSA-N 2 2 390.597 3.967 20 0 GHADLP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC001191079409 917743731 /nfs/dbraw/zinc/74/37/31/917743731.db2.gz YCVYXZHBZWBOEO-ZIFCJYIRSA-N 2 2 390.597 3.967 20 0 GHADLP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC001191079405 917744177 /nfs/dbraw/zinc/74/41/77/917744177.db2.gz YCVYXZHBZWBOEO-LMMKCTJWSA-N 2 2 390.597 3.967 20 0 GHADLP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC001191079405 917744183 /nfs/dbraw/zinc/74/41/83/917744183.db2.gz YCVYXZHBZWBOEO-LMMKCTJWSA-N 2 2 390.597 3.967 20 0 GHADLP CC(C)C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(F)cc1 ZINC000652198404 917837274 /nfs/dbraw/zinc/83/72/74/917837274.db2.gz FWCVLKCDIXJRGJ-OTYNDTSQSA-N 2 2 375.532 3.586 20 0 GHADLP CC(C)C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(F)cc1 ZINC000652198404 917837278 /nfs/dbraw/zinc/83/72/78/917837278.db2.gz FWCVLKCDIXJRGJ-OTYNDTSQSA-N 2 2 375.532 3.586 20 0 GHADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Br)cc(F)c2F)C1 ZINC000652363314 917882925 /nfs/dbraw/zinc/88/29/25/917882925.db2.gz AWBIYMSYDZQERY-BMFZPTHFSA-N 2 2 389.284 3.588 20 0 GHADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)cc(F)c2F)C1 ZINC000652363314 917882936 /nfs/dbraw/zinc/88/29/36/917882936.db2.gz AWBIYMSYDZQERY-BMFZPTHFSA-N 2 2 389.284 3.588 20 0 GHADLP C[C@H](c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1)C(F)(F)F ZINC000653354668 918228582 /nfs/dbraw/zinc/22/85/82/918228582.db2.gz OOAMIKNHGFOGNH-BEFAXECRSA-N 2 2 397.485 3.593 20 0 GHADLP C[C@H](c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1)C(F)(F)F ZINC000653354668 918228598 /nfs/dbraw/zinc/22/85/98/918228598.db2.gz OOAMIKNHGFOGNH-BEFAXECRSA-N 2 2 397.485 3.593 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1c1cccs1 ZINC000365568330 920959199 /nfs/dbraw/zinc/95/91/99/920959199.db2.gz GUDKNCDSODGCFU-PZJWPPBQSA-N 2 2 394.544 3.806 20 0 GHADLP C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1c1cccs1 ZINC000365568330 920959211 /nfs/dbraw/zinc/95/92/11/920959211.db2.gz GUDKNCDSODGCFU-PZJWPPBQSA-N 2 2 394.544 3.806 20 0 GHADLP c1nc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)sc1C1OCCO1 ZINC000367299331 922023737 /nfs/dbraw/zinc/02/37/37/922023737.db2.gz GVGCWUCHXJCMSA-UHFFFAOYSA-N 2 2 399.560 3.677 20 0 GHADLP c1nc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)sc1C1OCCO1 ZINC000367299331 922023747 /nfs/dbraw/zinc/02/37/47/922023747.db2.gz GVGCWUCHXJCMSA-UHFFFAOYSA-N 2 2 399.560 3.677 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000802864476 922486299 /nfs/dbraw/zinc/48/62/99/922486299.db2.gz FCMRFGVPLHWHHH-AFXVXQJMSA-N 2 2 383.580 3.586 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000802864476 922486307 /nfs/dbraw/zinc/48/63/07/922486307.db2.gz FCMRFGVPLHWHHH-AFXVXQJMSA-N 2 2 383.580 3.586 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903058132 922735193 /nfs/dbraw/zinc/73/51/93/922735193.db2.gz DYJCMYIXNQRDOL-QGZVFWFLSA-N 2 2 375.476 3.643 20 0 GHADLP O=C1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCN1c1ccccc1C(F)(F)F ZINC000903153565 922813613 /nfs/dbraw/zinc/81/36/13/922813613.db2.gz SSGUNGHLYCLMPY-NZZOQPFGSA-N 2 2 393.453 3.558 20 0 GHADLP O=C1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCN1c1ccccc1C(F)(F)F ZINC000903153565 922813617 /nfs/dbraw/zinc/81/36/17/922813617.db2.gz SSGUNGHLYCLMPY-NZZOQPFGSA-N 2 2 393.453 3.558 20 0 GHADLP C[N@@H+](Cc1cccc(Br)c1OC(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000676890460 924132051 /nfs/dbraw/zinc/13/20/51/924132051.db2.gz YSXNPQMDYMBARM-LBPRGKRZSA-N 2 2 377.273 3.824 20 0 GHADLP C[N@H+](Cc1cccc(Br)c1OC(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000676890460 924132056 /nfs/dbraw/zinc/13/20/56/924132056.db2.gz YSXNPQMDYMBARM-LBPRGKRZSA-N 2 2 377.273 3.824 20 0 GHADLP C[NH+](Cc1cccc(Br)c1OC(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000676890460 924132064 /nfs/dbraw/zinc/13/20/64/924132064.db2.gz YSXNPQMDYMBARM-LBPRGKRZSA-N 2 2 377.273 3.824 20 0 GHADLP C[NH+](Cc1cccc(Br)c1OC(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000676890460 924132067 /nfs/dbraw/zinc/13/20/67/924132067.db2.gz YSXNPQMDYMBARM-LBPRGKRZSA-N 2 2 377.273 3.824 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC000370625233 924212948 /nfs/dbraw/zinc/21/29/48/924212948.db2.gz WQIRCLCDKOPLSM-JPYJTQIMSA-N 2 2 382.527 3.690 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC000370625233 924212965 /nfs/dbraw/zinc/21/29/65/924212965.db2.gz WQIRCLCDKOPLSM-JPYJTQIMSA-N 2 2 382.527 3.690 20 0 GHADLP Cc1cccc2nc(C[NH+]3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)cn21 ZINC001137299261 924382429 /nfs/dbraw/zinc/38/24/29/924382429.db2.gz GADOXZAUJJZORO-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2nc(C[NH+]3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)cn21 ZINC001137299261 924382438 /nfs/dbraw/zinc/38/24/38/924382438.db2.gz GADOXZAUJJZORO-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@H]4C3)cn21 ZINC001137299261 924382446 /nfs/dbraw/zinc/38/24/46/924382446.db2.gz GADOXZAUJJZORO-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccc2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@H]4C3)cn21 ZINC001137299261 924382454 /nfs/dbraw/zinc/38/24/54/924382454.db2.gz GADOXZAUJJZORO-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000677715997 924464917 /nfs/dbraw/zinc/46/49/17/924464917.db2.gz HTVCVSZOASEQPZ-AZUAARDMSA-N 2 2 389.927 3.950 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000677715997 924464919 /nfs/dbraw/zinc/46/49/19/924464919.db2.gz HTVCVSZOASEQPZ-AZUAARDMSA-N 2 2 389.927 3.950 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1cccc(Cl)c1 ZINC000409528749 924731726 /nfs/dbraw/zinc/73/17/26/924731726.db2.gz IFPPUGJZEOIUOU-RTBURBONSA-N 2 2 377.891 3.501 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1nnc2n1CCCCC2 ZINC000371664387 924758174 /nfs/dbraw/zinc/75/81/74/924758174.db2.gz HVAMNKFUKYVPNT-FYZZASKESA-N 2 2 379.552 3.566 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1nnc2n1CCCCC2 ZINC000371664387 924758178 /nfs/dbraw/zinc/75/81/78/924758178.db2.gz HVAMNKFUKYVPNT-FYZZASKESA-N 2 2 379.552 3.566 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000678587869 924831522 /nfs/dbraw/zinc/83/15/22/924831522.db2.gz UGMXVPIEFDFRBX-QGZVFWFLSA-N 2 2 383.458 3.663 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1 ZINC000678807380 924932128 /nfs/dbraw/zinc/93/21/28/924932128.db2.gz NGAMDFBZVVZQHL-VLIAUNLRSA-N 2 2 399.491 3.889 20 0 GHADLP FC(F)(F)COc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cn1 ZINC000679952404 925314980 /nfs/dbraw/zinc/31/49/80/925314980.db2.gz INIYKIYBYSDSOK-UHFFFAOYSA-N 2 2 382.430 3.912 20 0 GHADLP CCC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000681215228 925763336 /nfs/dbraw/zinc/76/33/36/925763336.db2.gz HHVWJTFLARXWTD-SFTDATJTSA-N 2 2 378.605 3.545 20 0 GHADLP CCC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000681215228 925763349 /nfs/dbraw/zinc/76/33/49/925763349.db2.gz HHVWJTFLARXWTD-SFTDATJTSA-N 2 2 378.605 3.545 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000681219520 925764899 /nfs/dbraw/zinc/76/48/99/925764899.db2.gz YDJPFKHCAMXWFI-CVEARBPZSA-N 2 2 399.004 3.663 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000681219520 925764904 /nfs/dbraw/zinc/76/49/04/925764904.db2.gz YDJPFKHCAMXWFI-CVEARBPZSA-N 2 2 399.004 3.663 20 0 GHADLP O[C@H]1CCC[C@]1(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)Cc1ccc(F)cc1 ZINC000372994083 925805536 /nfs/dbraw/zinc/80/55/36/925805536.db2.gz AFYYPOLFFCFMOE-BJKOFHAPSA-N 2 2 397.538 3.549 20 0 GHADLP Brc1cnn(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000374010840 926652655 /nfs/dbraw/zinc/65/26/55/926652655.db2.gz SNAIPVDDGLFVNO-UHFFFAOYSA-N 2 2 386.297 3.668 20 0 GHADLP CCCn1nc(C)c(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000374286775 926982218 /nfs/dbraw/zinc/98/22/18/926982218.db2.gz ZMSPXTYWFRRSPJ-UHFFFAOYSA-N 3 2 389.632 3.538 20 0 GHADLP CCCn1nc(C)c(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000374286775 926982228 /nfs/dbraw/zinc/98/22/28/926982228.db2.gz ZMSPXTYWFRRSPJ-UHFFFAOYSA-N 3 2 389.632 3.538 20 0 GHADLP Brc1ccc2c(cc[nH+]c2NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000413087943 928188076 /nfs/dbraw/zinc/18/80/76/928188076.db2.gz ZXAPOWOTDPVOMW-UHFFFAOYSA-N 2 2 397.320 3.891 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2)c1ccccc1 ZINC000544059644 928750362 /nfs/dbraw/zinc/75/03/62/928750362.db2.gz GEMYOKPKSDZDBG-LJQANCHMSA-N 2 2 386.565 3.931 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2)c1ccccc1 ZINC000544059644 928750372 /nfs/dbraw/zinc/75/03/72/928750372.db2.gz GEMYOKPKSDZDBG-LJQANCHMSA-N 2 2 386.565 3.931 20 0 GHADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000544259699 928989577 /nfs/dbraw/zinc/98/95/77/928989577.db2.gz NHHDICLXLKZQDC-PGRDOPGGSA-N 2 2 392.547 3.796 20 0 GHADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000544259699 928989586 /nfs/dbraw/zinc/98/95/86/928989586.db2.gz NHHDICLXLKZQDC-PGRDOPGGSA-N 2 2 392.547 3.796 20 0 GHADLP Cc1nn(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(C)c1Br ZINC000752802124 929030200 /nfs/dbraw/zinc/03/02/00/929030200.db2.gz HDXCYMWIXFWMRJ-UHFFFAOYSA-N 2 2 383.378 3.808 20 0 GHADLP CC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757103754 929641519 /nfs/dbraw/zinc/64/15/19/929641519.db2.gz DKMDAZHTIOIAKU-QUCCMNQESA-N 2 2 384.524 3.998 20 0 GHADLP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757103754 929641523 /nfs/dbraw/zinc/64/15/23/929641523.db2.gz DKMDAZHTIOIAKU-QUCCMNQESA-N 2 2 384.524 3.998 20 0 GHADLP Cc1cc(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c(C)c[nH+]1 ZINC000545983189 929746729 /nfs/dbraw/zinc/74/67/29/929746729.db2.gz JUYMXQYXSMKQTL-QGZVFWFLSA-N 2 2 380.414 3.564 20 0 GHADLP Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1OC(F)F ZINC000469882181 930232100 /nfs/dbraw/zinc/23/21/00/930232100.db2.gz SDMSJCMACPQKKA-LEWSCRJBSA-N 2 2 375.257 3.528 20 0 GHADLP Cc1cc(Br)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1OC(F)F ZINC000469882181 930232107 /nfs/dbraw/zinc/23/21/07/930232107.db2.gz SDMSJCMACPQKKA-LEWSCRJBSA-N 2 2 375.257 3.528 20 0 GHADLP C[C@H]1CC[N@H+](Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C[C@@H]1n1cc[nH+]c1 ZINC000759158492 930293946 /nfs/dbraw/zinc/29/39/46/930293946.db2.gz LQOPTAUXKVEGEX-KKSFZXQISA-N 2 2 397.482 3.985 20 0 GHADLP C[C@H]1CC[N@@H+](Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C[C@@H]1n1cc[nH+]c1 ZINC000759158492 930293954 /nfs/dbraw/zinc/29/39/54/930293954.db2.gz LQOPTAUXKVEGEX-KKSFZXQISA-N 2 2 397.482 3.985 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2Oc2ccccc2C)CC1 ZINC000547330262 930921345 /nfs/dbraw/zinc/92/13/45/930921345.db2.gz OADOYFDHNYIMDQ-IFMALSPDSA-N 2 2 388.552 3.692 20 0 GHADLP C[N@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000470812280 930933617 /nfs/dbraw/zinc/93/36/17/930933617.db2.gz PDJLACKTJULTSW-SDHOMARFSA-N 2 2 389.543 3.763 20 0 GHADLP C[N@@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000470812280 930933627 /nfs/dbraw/zinc/93/36/27/930933627.db2.gz PDJLACKTJULTSW-SDHOMARFSA-N 2 2 389.543 3.763 20 0 GHADLP C[NH+](C[C@@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000470812280 930933650 /nfs/dbraw/zinc/93/36/50/930933650.db2.gz PDJLACKTJULTSW-SDHOMARFSA-N 2 2 389.543 3.763 20 0 GHADLP C[NH+](C[C@@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000470812280 930933659 /nfs/dbraw/zinc/93/36/59/930933659.db2.gz PDJLACKTJULTSW-SDHOMARFSA-N 2 2 389.543 3.763 20 0 GHADLP CC(C)(C)C1=CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000557332239 931349407 /nfs/dbraw/zinc/34/94/07/931349407.db2.gz UPZLTJKMHQKLKM-UHFFFAOYSA-N 2 2 387.593 3.852 20 0 GHADLP CC(C)(C)C1=CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000557332239 931349411 /nfs/dbraw/zinc/34/94/11/931349411.db2.gz UPZLTJKMHQKLKM-UHFFFAOYSA-N 2 2 387.593 3.852 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(Br)n1 ZINC000924574571 931425841 /nfs/dbraw/zinc/42/58/41/931425841.db2.gz ORBVPUGRZMRFHY-HNNXBMFYSA-N 2 2 390.325 3.527 20 0 GHADLP CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000925173171 931689531 /nfs/dbraw/zinc/68/95/31/931689531.db2.gz WSVCAUJVFYRYCK-UWVFGXKGSA-N 2 2 388.556 3.822 20 0 GHADLP COc1cc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(F)cn1 ZINC000558241775 931900061 /nfs/dbraw/zinc/90/00/61/931900061.db2.gz VBVOMILQVJJWGM-CABCVRRESA-N 2 2 390.478 3.532 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC[C@@H]3CCCO)CC2)cc1 ZINC000926528900 932218448 /nfs/dbraw/zinc/21/84/48/932218448.db2.gz SVEGUOXGXJNYEM-OFNKIYASSA-N 2 2 387.568 3.530 20 0 GHADLP Cc1ccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c(-c2cnn(C)c2)c1 ZINC000558778388 932228122 /nfs/dbraw/zinc/22/81/22/932228122.db2.gz DVEGZCFWSODVBC-UHFFFAOYSA-N 2 2 385.515 3.973 20 0 GHADLP CCc1cnc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000559330028 932604825 /nfs/dbraw/zinc/60/48/25/932604825.db2.gz IGKYJOHEIBXSRS-IBGZPJMESA-N 2 2 385.577 3.724 20 0 GHADLP CCc1cnc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000559330028 932604832 /nfs/dbraw/zinc/60/48/32/932604832.db2.gz IGKYJOHEIBXSRS-IBGZPJMESA-N 2 2 385.577 3.724 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000798954635 932836393 /nfs/dbraw/zinc/83/63/93/932836393.db2.gz YQXTZGPKCMFENQ-QFIPXVFZSA-N 2 2 389.540 3.880 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1)c1ccccc1 ZINC001116025996 933291626 /nfs/dbraw/zinc/29/16/26/933291626.db2.gz XFEFELUOXAEZNW-GOTSBHOMSA-N 2 2 394.563 3.635 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1)c1ccccc1 ZINC001116025996 933291633 /nfs/dbraw/zinc/29/16/33/933291633.db2.gz XFEFELUOXAEZNW-GOTSBHOMSA-N 2 2 394.563 3.635 20 0 GHADLP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](c3ncc[nH]3)C3CCCCC3)cc2)CC1 ZINC000560514272 933303059 /nfs/dbraw/zinc/30/30/59/933303059.db2.gz JGQCEZXPVCJBGM-JOCHJYFZSA-N 2 2 381.568 3.568 20 0 GHADLP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H](c3ncc[nH]3)C3CCCCC3)cc2)CC1 ZINC000560514272 933303069 /nfs/dbraw/zinc/30/30/69/933303069.db2.gz JGQCEZXPVCJBGM-JOCHJYFZSA-N 2 2 381.568 3.568 20 0 GHADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000561365144 934082987 /nfs/dbraw/zinc/08/29/87/934082987.db2.gz NBMQAMNYFJRLIW-GOSISDBHSA-N 2 2 378.944 3.708 20 0 GHADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000561365144 934082994 /nfs/dbraw/zinc/08/29/94/934082994.db2.gz NBMQAMNYFJRLIW-GOSISDBHSA-N 2 2 378.944 3.708 20 0 GHADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000561365144 934083005 /nfs/dbraw/zinc/08/30/05/934083005.db2.gz NBMQAMNYFJRLIW-GOSISDBHSA-N 2 2 378.944 3.708 20 0 GHADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000561365144 934083019 /nfs/dbraw/zinc/08/30/19/934083019.db2.gz NBMQAMNYFJRLIW-GOSISDBHSA-N 2 2 378.944 3.708 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc(-c3ccc4c[nH+]cn4c3C)n2)C1 ZINC001118934946 934288379 /nfs/dbraw/zinc/28/83/79/934288379.db2.gz DOOGUZDZXOTGDI-FQEVSTJZSA-N 2 2 389.459 3.575 20 0 GHADLP Cc1ccccc1C[N@H+]1CCO[C@H](c2noc(-c3ccc4c[nH+]cn4c3C)n2)C1 ZINC001118934946 934288386 /nfs/dbraw/zinc/28/83/86/934288386.db2.gz DOOGUZDZXOTGDI-FQEVSTJZSA-N 2 2 389.459 3.575 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001119946817 934423420 /nfs/dbraw/zinc/42/34/20/934423420.db2.gz HPQUDJLKFQQDLQ-INIZCTEOSA-N 2 2 395.569 3.828 20 0 GHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000562247911 934785075 /nfs/dbraw/zinc/78/50/75/934785075.db2.gz MCLUOUZHOPTSJM-JOCHJYFZSA-N 2 2 395.551 3.528 20 0 GHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000562247911 934785078 /nfs/dbraw/zinc/78/50/78/934785078.db2.gz MCLUOUZHOPTSJM-JOCHJYFZSA-N 2 2 395.551 3.528 20 0 GHADLP C[NH+](C)Cc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)cc1F ZINC000829654856 935839615 /nfs/dbraw/zinc/83/96/15/935839615.db2.gz ILGPVCATACCXOE-UHFFFAOYSA-N 2 2 380.467 3.609 20 0 GHADLP C[NH+](C)Cc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)cc1F ZINC000829654856 935839618 /nfs/dbraw/zinc/83/96/18/935839618.db2.gz ILGPVCATACCXOE-UHFFFAOYSA-N 2 2 380.467 3.609 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc5ccccc5nc4Cl)C[C@H]3C2)cn1 ZINC001137976677 935901889 /nfs/dbraw/zinc/90/18/89/935901889.db2.gz SSPPBTDKNBNAKU-UYAOXDASSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc5ccccc5nc4Cl)C[C@H]3C2)cn1 ZINC001137976677 935901890 /nfs/dbraw/zinc/90/18/90/935901890.db2.gz SSPPBTDKNBNAKU-UYAOXDASSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc5ccccc5nc4Cl)C[C@H]3C2)cn1 ZINC001137976677 935901892 /nfs/dbraw/zinc/90/18/92/935901892.db2.gz SSPPBTDKNBNAKU-UYAOXDASSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc5ccccc5nc4Cl)C[C@H]3C2)cn1 ZINC001137976677 935901893 /nfs/dbraw/zinc/90/18/93/935901893.db2.gz SSPPBTDKNBNAKU-UYAOXDASSA-N 2 2 395.938 3.576 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000468034449 1015172307 /nfs/dbraw/zinc/17/23/07/1015172307.db2.gz VWJUGZUUNNQURQ-UHFFFAOYSA-N 2 2 388.515 3.823 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CCc2nc3c(cccc3F)n2C)C[N@H+](Cc2ccccc2)C1 ZINC000468520007 1015772018 /nfs/dbraw/zinc/77/20/18/1015772018.db2.gz VTOIGZWVEGOSTC-IEBWSBKVSA-N 2 2 380.511 3.755 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CCc2nc3c(cccc3F)n2C)C[N@@H+](Cc2ccccc2)C1 ZINC000468520007 1015772024 /nfs/dbraw/zinc/77/20/24/1015772024.db2.gz VTOIGZWVEGOSTC-IEBWSBKVSA-N 2 2 380.511 3.755 20 0 GHADLP C[C@H]1C[C@H]([NH2+]CCc2nc3c(cccc3F)n2C)C[N@H+](Cc2ccccc2)C1 ZINC000468520006 1015772210 /nfs/dbraw/zinc/77/22/10/1015772210.db2.gz VTOIGZWVEGOSTC-HKUYNNGSSA-N 2 2 380.511 3.755 20 0 GHADLP C[C@H]1C[C@H]([NH2+]CCc2nc3c(cccc3F)n2C)C[N@@H+](Cc2ccccc2)C1 ZINC000468520006 1015772211 /nfs/dbraw/zinc/77/22/11/1015772211.db2.gz VTOIGZWVEGOSTC-HKUYNNGSSA-N 2 2 380.511 3.755 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000545420830 1015860285 /nfs/dbraw/zinc/86/02/85/1015860285.db2.gz OQXZDUZVDMWYBW-MJGOQNOKSA-N 2 2 390.890 3.505 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000545420830 1015860292 /nfs/dbraw/zinc/86/02/92/1015860292.db2.gz OQXZDUZVDMWYBW-MJGOQNOKSA-N 2 2 390.890 3.505 20 0 GHADLP COc1cccc2c1[nH+]cc(C)c2N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000468714001 1015942443 /nfs/dbraw/zinc/94/24/43/1015942443.db2.gz KWRUTNGVEMUENZ-UHFFFAOYSA-N 2 2 382.552 3.547 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000925049037 1017034851 /nfs/dbraw/zinc/03/48/51/1017034851.db2.gz LJYXLRZDRRRORV-UHFFFAOYSA-N 2 2 389.588 3.664 20 0 GHADLP Clc1ccc2[nH]c3nc[nH+]c(NCC[C@@H]4C[NH2+]Cc5cccn5C4)c3c2c1 ZINC001155457997 1032550475 /nfs/dbraw/zinc/55/04/75/1032550475.db2.gz DHAMKTAHEBOAMS-CYBMUJFWSA-N 2 2 380.883 3.788 20 0 GHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N[C@H]2C[NH+]3CCC2CC3)n1 ZINC001155668154 1032630704 /nfs/dbraw/zinc/63/07/04/1032630704.db2.gz QOHQNSDQTGKDKR-SFHVURJKSA-N 2 2 393.560 3.926 20 0 GHADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000560447519 1017630156 /nfs/dbraw/zinc/63/01/56/1017630156.db2.gz WNNQQEXGTBGKNO-JTSKRJEESA-N 2 2 393.535 3.541 20 0 GHADLP Cc1cn2c(nc(C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc2=O)s1 ZINC000929805583 1017742462 /nfs/dbraw/zinc/74/24/62/1017742462.db2.gz DDRVFDZYBHTRAC-OXJNMPFZSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1cn2c(nc(C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cc2=O)s1 ZINC000929805583 1017742473 /nfs/dbraw/zinc/74/24/73/1017742473.db2.gz DDRVFDZYBHTRAC-OXJNMPFZSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1cn2c(nc(C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cc2=O)s1 ZINC000929805583 1017742485 /nfs/dbraw/zinc/74/24/85/1017742485.db2.gz DDRVFDZYBHTRAC-OXJNMPFZSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1cn2c(nc(C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cc2=O)s1 ZINC000929805583 1017742491 /nfs/dbraw/zinc/74/24/91/1017742491.db2.gz DDRVFDZYBHTRAC-OXJNMPFZSA-N 2 2 396.560 3.549 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1cccc2ccccc21)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000561076668 1017788767 /nfs/dbraw/zinc/78/87/67/1017788767.db2.gz GJDRNKPIEAOLLA-RTBURBONSA-N 2 2 388.515 3.623 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)N[C@@H](CC[NH+](C)C)c3cccnc3)ccc21 ZINC000931589307 1018009456 /nfs/dbraw/zinc/00/94/56/1018009456.db2.gz OQRWLHMKWDZTMG-FQEVSTJZSA-N 2 2 392.507 3.510 20 0 GHADLP CC(C)[C@H]1N(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC12CCCCCC2 ZINC001228041561 1032749159 /nfs/dbraw/zinc/74/91/59/1032749159.db2.gz AFVSAEGHSKGGGX-PZJWPPBQSA-N 2 2 390.616 3.545 20 0 GHADLP CC(C)[C@H]1N(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC12CCCCCC2 ZINC001228041561 1032749178 /nfs/dbraw/zinc/74/91/78/1032749178.db2.gz AFVSAEGHSKGGGX-PZJWPPBQSA-N 2 2 390.616 3.545 20 0 GHADLP Cc1[nH+]cn(C)c1Nc1cccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001204330356 1032773477 /nfs/dbraw/zinc/77/34/77/1032773477.db2.gz KJDFACWKTFTCNQ-UHFFFAOYSA-N 2 2 385.512 3.525 20 0 GHADLP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]([NH3+])c3c(F)cccc3F)c2)CC1 ZINC000575038571 1019921566 /nfs/dbraw/zinc/92/15/66/1019921566.db2.gz MSZXOZCOZFKHPC-OAQYLSRUSA-N 2 2 387.474 3.878 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc(C(F)(F)F)ccc1Cl ZINC000576433972 1020012769 /nfs/dbraw/zinc/01/27/69/1020012769.db2.gz ZNWITMFDMVFPKB-UHFFFAOYSA-N 2 2 377.882 3.817 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc(C(F)(F)F)ccc1Cl ZINC000576433972 1020012787 /nfs/dbraw/zinc/01/27/87/1020012787.db2.gz ZNWITMFDMVFPKB-UHFFFAOYSA-N 2 2 377.882 3.817 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1CC1CC[NH2+]CC1 ZINC000578195942 1020340122 /nfs/dbraw/zinc/34/01/22/1020340122.db2.gz SAKOSRYMQBDCGD-UHFFFAOYSA-N 2 2 378.451 3.806 20 0 GHADLP CC(C)Oc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc1 ZINC001204453011 1032896658 /nfs/dbraw/zinc/89/66/58/1032896658.db2.gz JLHHYYZCZOYPSX-UHFFFAOYSA-N 2 2 384.520 3.934 20 0 GHADLP CC(C)Oc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc1 ZINC001204453011 1032896668 /nfs/dbraw/zinc/89/66/68/1032896668.db2.gz JLHHYYZCZOYPSX-UHFFFAOYSA-N 2 2 384.520 3.934 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(F)cc4C(F)(F)F)C[C@@H]3C2)cn1 ZINC001204481663 1032916869 /nfs/dbraw/zinc/91/68/69/1032916869.db2.gz VWFZARQFLMHJEB-WBVHZDCISA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(F)cc4C(F)(F)F)C[C@@H]3C2)cn1 ZINC001204481663 1032916875 /nfs/dbraw/zinc/91/68/75/1032916875.db2.gz VWFZARQFLMHJEB-WBVHZDCISA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(F)cc4C(F)(F)F)C[C@@H]3C2)cn1 ZINC001204481663 1032916877 /nfs/dbraw/zinc/91/68/77/1032916877.db2.gz VWFZARQFLMHJEB-WBVHZDCISA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(F)cc4C(F)(F)F)C[C@@H]3C2)cn1 ZINC001204481663 1032916880 /nfs/dbraw/zinc/91/68/80/1032916880.db2.gz VWFZARQFLMHJEB-WBVHZDCISA-N 2 2 396.432 3.532 20 0 GHADLP Cc1ccc(-c2nc3ccccc3c(NCC3([NH+](C)C)CC[NH+](C)CC3)n2)s1 ZINC001156184776 1032915635 /nfs/dbraw/zinc/91/56/35/1032915635.db2.gz BCJMETGHSHTJHS-UHFFFAOYSA-N 2 2 395.576 3.527 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3csc(C(F)(F)F)c3)CC2)CC1 ZINC000628188081 1020675527 /nfs/dbraw/zinc/67/55/27/1020675527.db2.gz NFYVJRFWUYQBIK-UHFFFAOYSA-N 2 2 375.504 3.757 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc4ccccc4n2)CC3)cn1 ZINC001204501502 1032934111 /nfs/dbraw/zinc/93/41/11/1032934111.db2.gz GNTOGTWWUDUBBP-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccc4ccccc4n2)CC3)cn1 ZINC001204501502 1032934117 /nfs/dbraw/zinc/93/41/17/1032934117.db2.gz GNTOGTWWUDUBBP-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cn2cc[nH+]c12 ZINC000653377665 1021241397 /nfs/dbraw/zinc/24/13/97/1021241397.db2.gz XZOQROFZRJLWRT-UHFFFAOYSA-N 2 2 377.492 3.691 20 0 GHADLP Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cn2cc[nH+]c12 ZINC000653377665 1021241408 /nfs/dbraw/zinc/24/14/08/1021241408.db2.gz XZOQROFZRJLWRT-UHFFFAOYSA-N 2 2 377.492 3.691 20 0 GHADLP Cc1ccc2n[nH]c(C[NH+]3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001140330599 1021422262 /nfs/dbraw/zinc/42/22/62/1021422262.db2.gz GWRFRCYGPORMFE-VNZMSGEBSA-N 2 2 389.547 3.999 20 0 GHADLP Cc1ccc2n[nH]c(C[NH+]3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001140330599 1021422264 /nfs/dbraw/zinc/42/22/64/1021422264.db2.gz GWRFRCYGPORMFE-VNZMSGEBSA-N 2 2 389.547 3.999 20 0 GHADLP Cc1ccc2n[nH]c(C[N@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001140330599 1021422270 /nfs/dbraw/zinc/42/22/70/1021422270.db2.gz GWRFRCYGPORMFE-VNZMSGEBSA-N 2 2 389.547 3.999 20 0 GHADLP Cc1ccc2n[nH]c(C[N@@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001140330599 1021422275 /nfs/dbraw/zinc/42/22/75/1021422275.db2.gz GWRFRCYGPORMFE-VNZMSGEBSA-N 2 2 389.547 3.999 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000834808122 1021502471 /nfs/dbraw/zinc/50/24/71/1021502471.db2.gz XFEKJUGXSQTGTM-JRGCBEDISA-N 2 2 396.535 3.997 20 0 GHADLP c1csc([C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2nnc[nH]2)c1 ZINC000903455018 1021603506 /nfs/dbraw/zinc/60/35/06/1021603506.db2.gz HBZFRXMDJGFMAK-PXCRPINLSA-N 2 2 393.560 3.846 20 0 GHADLP c1csc([C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2nnc[nH]2)c1 ZINC000903455018 1021603519 /nfs/dbraw/zinc/60/35/19/1021603519.db2.gz HBZFRXMDJGFMAK-PXCRPINLSA-N 2 2 393.560 3.846 20 0 GHADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2cncc(Br)c2)cc1 ZINC000903566298 1021613599 /nfs/dbraw/zinc/61/35/99/1021613599.db2.gz OMWUCEVXGNZTGH-VQIMIIECSA-N 2 2 390.325 3.732 20 0 GHADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2cncc(Br)c2)cc1 ZINC000903566298 1021613608 /nfs/dbraw/zinc/61/36/08/1021613608.db2.gz OMWUCEVXGNZTGH-VQIMIIECSA-N 2 2 390.325 3.732 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001140523676 1021915657 /nfs/dbraw/zinc/91/56/57/1021915657.db2.gz SYNAGJAUDPMDNU-VDGAXYAQSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001140523676 1021915661 /nfs/dbraw/zinc/91/56/61/1021915661.db2.gz SYNAGJAUDPMDNU-VDGAXYAQSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001140523676 1021915663 /nfs/dbraw/zinc/91/56/63/1021915663.db2.gz SYNAGJAUDPMDNU-VDGAXYAQSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001140523676 1021915666 /nfs/dbraw/zinc/91/56/66/1021915666.db2.gz SYNAGJAUDPMDNU-VDGAXYAQSA-N 2 2 399.560 3.662 20 0 GHADLP Cc1ccc(S(=O)(=O)c2ccccc2C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204735568 1033053301 /nfs/dbraw/zinc/05/33/01/1033053301.db2.gz XTHCVZAISUQYOL-UHFFFAOYSA-N 2 2 398.572 3.793 20 0 GHADLP Cc1ccc(S(=O)(=O)c2ccccc2C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204735568 1033053312 /nfs/dbraw/zinc/05/33/12/1033053312.db2.gz XTHCVZAISUQYOL-UHFFFAOYSA-N 2 2 398.572 3.793 20 0 GHADLP CCCCc1nc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c[nH]1 ZINC001141068386 1023419289 /nfs/dbraw/zinc/41/92/89/1023419289.db2.gz HKIVEZXMQUJUKD-UHFFFAOYSA-N 2 2 388.581 3.681 20 0 GHADLP CCCCc1nc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c[nH]1 ZINC001141068386 1023419298 /nfs/dbraw/zinc/41/92/98/1023419298.db2.gz HKIVEZXMQUJUKD-UHFFFAOYSA-N 2 2 388.581 3.681 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000755987770 1023467946 /nfs/dbraw/zinc/46/79/46/1023467946.db2.gz CUADKZOOYMJXAH-BLIXFSHQSA-N 2 2 399.485 3.713 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000755987770 1023467951 /nfs/dbraw/zinc/46/79/51/1023467951.db2.gz CUADKZOOYMJXAH-BLIXFSHQSA-N 2 2 399.485 3.713 20 0 GHADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001141244730 1024253401 /nfs/dbraw/zinc/25/34/01/1024253401.db2.gz SYSPUGCOBRBPLP-IBGZPJMESA-N 2 2 384.524 3.951 20 0 GHADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001141244730 1024253418 /nfs/dbraw/zinc/25/34/18/1024253418.db2.gz SYSPUGCOBRBPLP-IBGZPJMESA-N 2 2 384.524 3.951 20 0 GHADLP CN(C(=O)c1ccc(CF)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831164590 1024396451 /nfs/dbraw/zinc/39/64/51/1024396451.db2.gz LHLFXZSUZTWTMM-RTWAWAEBSA-N 2 2 375.532 3.565 20 0 GHADLP CN(C(=O)c1ccc(CF)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831164590 1024396470 /nfs/dbraw/zinc/39/64/70/1024396470.db2.gz LHLFXZSUZTWTMM-RTWAWAEBSA-N 2 2 375.532 3.565 20 0 GHADLP Brc1ccc2c(C3C[NH+](Cc4cccc5nccnc45)C3)[nH+]cn2c1 ZINC001138306491 1024604936 /nfs/dbraw/zinc/60/49/36/1024604936.db2.gz VTQQDQRPJPHULG-UHFFFAOYSA-N 2 2 394.276 3.639 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)cc1 ZINC001138448770 1024870327 /nfs/dbraw/zinc/87/03/27/1024870327.db2.gz PYBRHSAYZLCNRZ-QHCPKHFHSA-N 2 2 382.552 3.708 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)cc1 ZINC001138448770 1024870336 /nfs/dbraw/zinc/87/03/36/1024870336.db2.gz PYBRHSAYZLCNRZ-QHCPKHFHSA-N 2 2 382.552 3.708 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001138448770 1024870352 /nfs/dbraw/zinc/87/03/52/1024870352.db2.gz PYBRHSAYZLCNRZ-QHCPKHFHSA-N 2 2 382.552 3.708 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001138448770 1024870371 /nfs/dbraw/zinc/87/03/71/1024870371.db2.gz PYBRHSAYZLCNRZ-QHCPKHFHSA-N 2 2 382.552 3.708 20 0 GHADLP COc1ccc(Cl)cc1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001138482154 1024911777 /nfs/dbraw/zinc/91/17/77/1024911777.db2.gz CNZPWZIJTGQEFK-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP COc1ccc(Cl)cc1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001138482154 1024911784 /nfs/dbraw/zinc/91/17/84/1024911784.db2.gz CNZPWZIJTGQEFK-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2N2CCC(O)CC2)CC1 ZINC001138762272 1025320024 /nfs/dbraw/zinc/32/00/24/1025320024.db2.gz QGIHXYZZKPHTHL-UHFFFAOYSA-N 2 2 393.575 3.744 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2N2CCC(O)CC2)CC1 ZINC001138762272 1025320035 /nfs/dbraw/zinc/32/00/35/1025320035.db2.gz QGIHXYZZKPHTHL-UHFFFAOYSA-N 2 2 393.575 3.744 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(CC([NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)C2)C1 ZINC000838911394 1025437619 /nfs/dbraw/zinc/43/76/19/1025437619.db2.gz QIAKWTOUGMHSOR-UHFFFAOYSA-N 2 2 386.471 3.501 20 0 GHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC001141544507 1025451334 /nfs/dbraw/zinc/45/13/34/1025451334.db2.gz QFJQPAQINZUBKN-JOCHJYFZSA-N 2 2 399.966 3.986 20 0 GHADLP Cc1nc(N2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)c2c([nH+]1)CCC2 ZINC001162056193 1025572156 /nfs/dbraw/zinc/57/21/56/1025572156.db2.gz BDCZSTGYQLZVCT-UHFFFAOYSA-N 2 2 390.453 3.833 20 0 GHADLP CCOc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)ccc1OC(C)=O ZINC001139008932 1025757952 /nfs/dbraw/zinc/75/79/52/1025757952.db2.gz JSSJOEPLWFVNCN-UHFFFAOYSA-N 2 2 379.460 3.828 20 0 GHADLP CCOc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)ccc1OC(C)=O ZINC001139008932 1025757972 /nfs/dbraw/zinc/75/79/72/1025757972.db2.gz JSSJOEPLWFVNCN-UHFFFAOYSA-N 2 2 379.460 3.828 20 0 GHADLP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001141601329 1025824656 /nfs/dbraw/zinc/82/46/56/1025824656.db2.gz KYCYDIJQHYAMHN-QFBILLFUSA-N 2 2 395.950 3.853 20 0 GHADLP CC(C)[N@H+]1CCC[C@H](C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001141601329 1025824680 /nfs/dbraw/zinc/82/46/80/1025824680.db2.gz KYCYDIJQHYAMHN-QFBILLFUSA-N 2 2 395.950 3.853 20 0 GHADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(Oc5ncccn5)cc4)C[C@H]3C2)c1 ZINC001139078027 1025888093 /nfs/dbraw/zinc/88/80/93/1025888093.db2.gz OHXKTMYXOFMGGR-OALUTQOASA-N 2 2 392.528 3.894 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc4c(ccn4C)c2)CC3)cn1 ZINC001139190666 1026027871 /nfs/dbraw/zinc/02/78/71/1026027871.db2.gz XJYPJOJZGMDSMP-UHFFFAOYSA-N 2 2 377.536 3.542 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccc4c(ccn4C)c2)CC3)cn1 ZINC001139190666 1026027890 /nfs/dbraw/zinc/02/78/90/1026027890.db2.gz XJYPJOJZGMDSMP-UHFFFAOYSA-N 2 2 377.536 3.542 20 0 GHADLP Cc1cccc2[nH]cc(C[NH+]3CCC4(CCC[N@H+]4Cc4ccn(C)n4)CC3)c21 ZINC001139196639 1026038789 /nfs/dbraw/zinc/03/87/89/1026038789.db2.gz VNIBOOPWSARAPE-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP Cc1cccc2[nH]cc(C[NH+]3CCC4(CCC[N@@H+]4Cc4ccn(C)n4)CC3)c21 ZINC001139196639 1026038810 /nfs/dbraw/zinc/03/88/10/1026038810.db2.gz VNIBOOPWSARAPE-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP Brc1ccsc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001139311752 1026170775 /nfs/dbraw/zinc/17/07/75/1026170775.db2.gz JCDGEAXWYRQOKN-CVEARBPZSA-N 2 2 392.366 3.860 20 0 GHADLP Brc1ccsc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001139311752 1026170779 /nfs/dbraw/zinc/17/07/79/1026170779.db2.gz JCDGEAXWYRQOKN-CVEARBPZSA-N 2 2 392.366 3.860 20 0 GHADLP Brc1ccsc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001139311752 1026170785 /nfs/dbraw/zinc/17/07/85/1026170785.db2.gz JCDGEAXWYRQOKN-CVEARBPZSA-N 2 2 392.366 3.860 20 0 GHADLP Brc1ccsc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001139311752 1026170791 /nfs/dbraw/zinc/17/07/91/1026170791.db2.gz JCDGEAXWYRQOKN-CVEARBPZSA-N 2 2 392.366 3.860 20 0 GHADLP CC[N@H+](Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)C1CC[NH+](C)CC1 ZINC001139653956 1026516119 /nfs/dbraw/zinc/51/61/19/1026516119.db2.gz NNOJQOVEVZLQIE-UHFFFAOYSA-N 2 2 393.597 3.957 20 0 GHADLP CC[N@@H+](Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)C1CC[NH+](C)CC1 ZINC001139653956 1026516125 /nfs/dbraw/zinc/51/61/25/1026516125.db2.gz NNOJQOVEVZLQIE-UHFFFAOYSA-N 2 2 393.597 3.957 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(N[C@@H]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@H]43)c2)C1 ZINC001164499953 1026536644 /nfs/dbraw/zinc/53/66/44/1026536644.db2.gz WCUDIYFXKQXFSL-WREZULKGSA-N 3 2 390.575 3.542 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(N[C@@H]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@H]43)c2)C1 ZINC001164499953 1026536647 /nfs/dbraw/zinc/53/66/47/1026536647.db2.gz WCUDIYFXKQXFSL-WREZULKGSA-N 3 2 390.575 3.542 20 0 GHADLP [NH3+][C@@H]1CC[NH+](Cc2cccc(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2)C1 ZINC001164499953 1026536652 /nfs/dbraw/zinc/53/66/52/1026536652.db2.gz WCUDIYFXKQXFSL-WREZULKGSA-N 3 2 390.575 3.542 20 0 GHADLP [NH3+][C@@H]1CC[NH+](Cc2cccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2)C1 ZINC001164499953 1026536655 /nfs/dbraw/zinc/53/66/55/1026536655.db2.gz WCUDIYFXKQXFSL-WREZULKGSA-N 3 2 390.575 3.542 20 0 GHADLP c1cncc([C@@H]2CCCC[N@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001139767315 1026604660 /nfs/dbraw/zinc/60/46/60/1026604660.db2.gz QDQQPEAWGJTZJM-QHCPKHFHSA-N 2 2 381.520 3.520 20 0 GHADLP c1cncc([C@@H]2CCCC[N@@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001139767315 1026604664 /nfs/dbraw/zinc/60/46/64/1026604664.db2.gz QDQQPEAWGJTZJM-QHCPKHFHSA-N 2 2 381.520 3.520 20 0 GHADLP CC(C)[N@H+](Cc1ccc2n1CCN(C(=O)OC(C)(C)C)C2)C1CC[NH+](C)CC1 ZINC001139926858 1026735722 /nfs/dbraw/zinc/73/57/22/1026735722.db2.gz BWFSZOCVCDUSCP-UHFFFAOYSA-N 2 2 390.572 3.543 20 0 GHADLP CC(C)[N@@H+](Cc1ccc2n1CCN(C(=O)OC(C)(C)C)C2)C1CC[NH+](C)CC1 ZINC001139926858 1026735733 /nfs/dbraw/zinc/73/57/33/1026735733.db2.gz BWFSZOCVCDUSCP-UHFFFAOYSA-N 2 2 390.572 3.543 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001140021493 1026806103 /nfs/dbraw/zinc/80/61/03/1026806103.db2.gz MXRCIUACNYWCHW-UHFFFAOYSA-N 2 2 382.508 3.766 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001140021493 1026806115 /nfs/dbraw/zinc/80/61/15/1026806115.db2.gz MXRCIUACNYWCHW-UHFFFAOYSA-N 2 2 382.508 3.766 20 0 GHADLP CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C[C@H]2CCCC[C@@H]12 ZINC001140022007 1026807927 /nfs/dbraw/zinc/80/79/27/1026807927.db2.gz XJPFKDAUNSVFLD-NRSPTQNISA-N 2 2 381.520 3.982 20 0 GHADLP CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C[C@H]2CCCC[C@@H]12 ZINC001140022007 1026807936 /nfs/dbraw/zinc/80/79/36/1026807936.db2.gz XJPFKDAUNSVFLD-NRSPTQNISA-N 2 2 381.520 3.982 20 0 GHADLP CCOC[C@H]1C[N@H+](Cc2ccccc2-n2cc[nH+]c2C)Cc2cnn(CC)c21 ZINC001140025165 1026811331 /nfs/dbraw/zinc/81/13/31/1026811331.db2.gz MVEFTFZDHSLAAU-HXUWFJFHSA-N 2 2 379.508 3.533 20 0 GHADLP CCOC[C@H]1C[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)Cc2cnn(CC)c21 ZINC001140025165 1026811342 /nfs/dbraw/zinc/81/13/42/1026811342.db2.gz MVEFTFZDHSLAAU-HXUWFJFHSA-N 2 2 379.508 3.533 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001140028662 1026818315 /nfs/dbraw/zinc/81/83/15/1026818315.db2.gz YYRZIWJVFOSUBU-HNNXBMFYSA-N 2 2 391.397 3.962 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001140028662 1026818319 /nfs/dbraw/zinc/81/83/19/1026818319.db2.gz YYRZIWJVFOSUBU-HNNXBMFYSA-N 2 2 391.397 3.962 20 0 GHADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ncc(-c3ccccc3)s2)c2ccccc2)CC1 ZINC001461149851 1069414023 /nfs/dbraw/zinc/41/40/23/1069414023.db2.gz PBKUDHRTXAVQRS-NRFANRHFSA-N 2 2 392.572 3.888 20 0 GHADLP c1nc2n(c1-c1cccnc1)CCN(c1[nH+]ccc3ccccc31)C21CC[NH2+]CC1 ZINC001165912568 1026867713 /nfs/dbraw/zinc/86/77/13/1026867713.db2.gz VHSWZLUJFNNFQB-UHFFFAOYSA-N 2 2 396.498 3.592 20 0 GHADLP CCc1[nH]c(C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)c(C)[nH+]1 ZINC001203237050 1027242907 /nfs/dbraw/zinc/24/29/07/1027242907.db2.gz WSSWMAWVCMCTQT-UHFFFAOYSA-N 2 2 376.545 3.894 20 0 GHADLP COc1cc(C)c(C[NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)cc1C ZINC001203754795 1027578574 /nfs/dbraw/zinc/57/85/74/1027578574.db2.gz ULQSGJNZWJYPQA-UHFFFAOYSA-N 2 2 382.552 3.676 20 0 GHADLP COc1cc(C)c(C[NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)cc1C ZINC001203754795 1027578582 /nfs/dbraw/zinc/57/85/82/1027578582.db2.gz ULQSGJNZWJYPQA-UHFFFAOYSA-N 2 2 382.552 3.676 20 0 GHADLP C[NH2+]Cc1cccc(Nc2ccc[nH+]c2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001211136618 1027804690 /nfs/dbraw/zinc/80/46/90/1027804690.db2.gz MZNIVTBOUVDQKA-GOSISDBHSA-N 2 2 397.523 3.648 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)C1 ZINC001204050019 1027839769 /nfs/dbraw/zinc/83/97/69/1027839769.db2.gz OCDYZALSKGKUFP-SFHVURJKSA-N 2 2 398.551 3.731 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)C1 ZINC001204050019 1027839791 /nfs/dbraw/zinc/83/97/91/1027839791.db2.gz OCDYZALSKGKUFP-SFHVURJKSA-N 2 2 398.551 3.731 20 0 GHADLP CCOc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1OC(=O)CC ZINC000840875168 1027912578 /nfs/dbraw/zinc/91/25/78/1027912578.db2.gz DYMYCWMDUFBKRH-UHFFFAOYSA-N 2 2 383.492 3.554 20 0 GHADLP Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000841065535 1028084601 /nfs/dbraw/zinc/08/46/01/1028084601.db2.gz ZRRYOLFSADTTPF-BZNIZROVSA-N 2 2 386.849 3.941 20 0 GHADLP C[C@]1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCN(C(=O)OCc2ccccc2)C1 ZINC001461460275 1069559718 /nfs/dbraw/zinc/55/97/18/1069559718.db2.gz LBGCQMQBKWQFBZ-QHCPKHFHSA-N 2 2 390.487 3.763 20 0 GHADLP O=C(CC1=C(c2ccccc2)[NH2+]C(c2ccccc2)S1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001142484275 1028983751 /nfs/dbraw/zinc/98/37/51/1028983751.db2.gz BHGSOBWSKGWCMU-IBGZPJMESA-N 2 2 390.532 3.536 20 0 GHADLP O=C(CC1=C(c2ccccc2)[NH2+]C(c2ccccc2)S1)N1CC[N@H+]2CC[C@H]2C1 ZINC001142484275 1028983754 /nfs/dbraw/zinc/98/37/54/1028983754.db2.gz BHGSOBWSKGWCMU-IBGZPJMESA-N 2 2 390.532 3.536 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC001461491739 1069575065 /nfs/dbraw/zinc/57/50/65/1069575065.db2.gz BZVYWSRMYPJCNU-OAQYLSRUSA-N 2 2 396.535 3.772 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]CCCCNc3cccc[nH+]3)C[C@H]2C1 ZINC000842674726 1029479538 /nfs/dbraw/zinc/47/95/38/1029479538.db2.gz AFXPGFFSXVHXQK-FHWLQOOXSA-N 2 2 388.556 3.899 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cccn3ccnc13)CC2 ZINC001142947997 1029726723 /nfs/dbraw/zinc/72/67/23/1029726723.db2.gz NQVIEELJUCLHCQ-UHFFFAOYSA-N 2 2 379.508 3.570 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cccn3ccnc13)CC2 ZINC001142947997 1029726728 /nfs/dbraw/zinc/72/67/28/1029726728.db2.gz NQVIEELJUCLHCQ-UHFFFAOYSA-N 2 2 379.508 3.570 20 0 GHADLP CC(C)Oc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c(Br)cn1 ZINC001222321572 1030070530 /nfs/dbraw/zinc/07/05/30/1030070530.db2.gz ZCRYSFQMXPFBCP-SFHVURJKSA-N 2 2 382.346 3.739 20 0 GHADLP CC(C)Oc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(Br)cn1 ZINC001222321572 1030070543 /nfs/dbraw/zinc/07/05/43/1030070543.db2.gz ZCRYSFQMXPFBCP-SFHVURJKSA-N 2 2 382.346 3.739 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)C2)cc1 ZINC001222595676 1030221294 /nfs/dbraw/zinc/22/12/94/1030221294.db2.gz GMOFTVGMSOCDEJ-LADGPHEKSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)C2)cc1 ZINC001222595676 1030221313 /nfs/dbraw/zinc/22/13/13/1030221313.db2.gz GMOFTVGMSOCDEJ-LADGPHEKSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)C2)cc1 ZINC001222595676 1030221327 /nfs/dbraw/zinc/22/13/27/1030221327.db2.gz GMOFTVGMSOCDEJ-LADGPHEKSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)C2)cc1 ZINC001222595676 1030221340 /nfs/dbraw/zinc/22/13/40/1030221340.db2.gz GMOFTVGMSOCDEJ-LADGPHEKSA-N 3 2 375.560 3.588 20 0 GHADLP Fc1ccc(OC(F)(F)F)cc1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609242 1030232755 /nfs/dbraw/zinc/23/27/55/1030232755.db2.gz MBGALXBCUAYDIT-QGZVFWFLSA-N 2 2 380.385 3.913 20 0 GHADLP Fc1ccc(OC(F)(F)F)cc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609242 1030232763 /nfs/dbraw/zinc/23/27/63/1030232763.db2.gz MBGALXBCUAYDIT-QGZVFWFLSA-N 2 2 380.385 3.913 20 0 GHADLP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609802 1030234853 /nfs/dbraw/zinc/23/48/53/1030234853.db2.gz RIPJXQZIPQBUJC-SFHVURJKSA-N 2 2 392.421 3.783 20 0 GHADLP COc1ccc(OC(F)(F)F)cc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609802 1030234868 /nfs/dbraw/zinc/23/48/68/1030234868.db2.gz RIPJXQZIPQBUJC-SFHVURJKSA-N 2 2 392.421 3.783 20 0 GHADLP COc1ccc(C(F)(F)F)c(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222614412 1030237305 /nfs/dbraw/zinc/23/73/05/1030237305.db2.gz FLQCYTBBTDLJDI-LJQANCHMSA-N 2 2 376.422 3.903 20 0 GHADLP COc1ccc(C(F)(F)F)c(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222614412 1030237321 /nfs/dbraw/zinc/23/73/21/1030237321.db2.gz FLQCYTBBTDLJDI-LJQANCHMSA-N 2 2 376.422 3.903 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)CC(F)F ZINC001461701563 1069688533 /nfs/dbraw/zinc/68/85/33/1069688533.db2.gz XTWYSRBSRDIIDC-WBVHZDCISA-N 2 2 389.531 3.922 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)CC(F)F ZINC001461701563 1069688536 /nfs/dbraw/zinc/68/85/36/1069688536.db2.gz XTWYSRBSRDIIDC-WBVHZDCISA-N 2 2 389.531 3.922 20 0 GHADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1csc(C(F)(F)F)c1-c1ccccc1 ZINC001218605688 1031002519 /nfs/dbraw/zinc/00/25/19/1031002519.db2.gz VGLCRQCXHKAYKG-LBPRGKRZSA-N 2 2 380.395 3.666 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)C1(c2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC001218788338 1031079259 /nfs/dbraw/zinc/07/92/59/1031079259.db2.gz SQJHQYPZDXCLEN-UHFFFAOYSA-N 2 2 388.393 3.613 20 0 GHADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2ccccc2c1-c1c(O)ccc2ccccc21 ZINC001218917774 1031151586 /nfs/dbraw/zinc/15/15/86/1031151586.db2.gz RZOPCCVYAYHGAT-PMACEKPBSA-N 2 2 397.478 3.851 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)C[N@@H+]1Cc1ccccc1 ZINC001461749149 1069722791 /nfs/dbraw/zinc/72/27/91/1069722791.db2.gz AOXCKOZJRXHENR-YADHBBJMSA-N 2 2 386.580 3.995 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)C[N@H+]1Cc1ccccc1 ZINC001461749149 1069722803 /nfs/dbraw/zinc/72/28/03/1069722803.db2.gz AOXCKOZJRXHENR-YADHBBJMSA-N 2 2 386.580 3.995 20 0 GHADLP Cc1cc(C)cc(C(=O)c2ccccc2NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)c1 ZINC001219494871 1031458527 /nfs/dbraw/zinc/45/85/27/1031458527.db2.gz CZROQOZIEUITRI-NRFANRHFSA-N 2 2 387.483 3.745 20 0 GHADLP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC001225694276 1031547807 /nfs/dbraw/zinc/54/78/07/1031547807.db2.gz KPQWZQTULFGVRU-GOTSBHOMSA-N 2 2 392.547 3.652 20 0 GHADLP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC001225694276 1031547819 /nfs/dbraw/zinc/54/78/19/1031547819.db2.gz KPQWZQTULFGVRU-GOTSBHOMSA-N 2 2 392.547 3.652 20 0 GHADLP O=C([C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001157609182 1033689185 /nfs/dbraw/zinc/68/91/85/1033689185.db2.gz BXDBFAWUGCEMCX-FKIJPYOHSA-N 2 2 389.543 3.585 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@@H+]3C[C@@H](C[NH3+])CC[C@H]3C)c2n1 ZINC001206806726 1033990805 /nfs/dbraw/zinc/99/08/05/1033990805.db2.gz HFYDRVBQDRFUDU-CHWSQXEVSA-N 2 2 378.314 3.565 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@H+]3C[C@@H](C[NH3+])CC[C@H]3C)c2n1 ZINC001206806726 1033990811 /nfs/dbraw/zinc/99/08/11/1033990811.db2.gz HFYDRVBQDRFUDU-CHWSQXEVSA-N 2 2 378.314 3.565 20 0 GHADLP CC(C)COc1ccccc1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001206846666 1034033122 /nfs/dbraw/zinc/03/31/22/1034033122.db2.gz KZKPEXZVXIBWNV-XMMPIXPASA-N 2 2 382.548 3.790 20 0 GHADLP CC(C)COc1ccccc1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001206846666 1034033134 /nfs/dbraw/zinc/03/31/34/1034033134.db2.gz KZKPEXZVXIBWNV-XMMPIXPASA-N 2 2 382.548 3.790 20 0 GHADLP CC(C)COc1ccccc1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001206846666 1034033141 /nfs/dbraw/zinc/03/31/41/1034033141.db2.gz KZKPEXZVXIBWNV-XMMPIXPASA-N 2 2 382.548 3.790 20 0 GHADLP CC(C)COc1ccccc1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001206846666 1034033151 /nfs/dbraw/zinc/03/31/51/1034033151.db2.gz KZKPEXZVXIBWNV-XMMPIXPASA-N 2 2 382.548 3.790 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4C[C@@H]4c4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001207183646 1034152812 /nfs/dbraw/zinc/15/28/12/1034152812.db2.gz OITNNFFUVFUCQP-XWSHUIEDSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4C[C@@H]4c4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001207183646 1034152819 /nfs/dbraw/zinc/15/28/19/1034152819.db2.gz OITNNFFUVFUCQP-XWSHUIEDSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4C[C@@H]4c4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001207183646 1034152827 /nfs/dbraw/zinc/15/28/27/1034152827.db2.gz OITNNFFUVFUCQP-XWSHUIEDSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H]4C[C@@H]4c4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001207183646 1034152832 /nfs/dbraw/zinc/15/28/32/1034152832.db2.gz OITNNFFUVFUCQP-XWSHUIEDSA-N 2 2 384.955 3.631 20 0 GHADLP COc1cc2cc[nH+]c(N3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)c2cc1OC ZINC001158621477 1034203434 /nfs/dbraw/zinc/20/34/34/1034203434.db2.gz GOVDSTYHJPLKNV-SFHVURJKSA-N 2 2 377.435 3.562 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001207309107 1034256466 /nfs/dbraw/zinc/25/64/66/1034256466.db2.gz HDDUQIQJENJOMV-KRWDZBQOSA-N 2 2 375.513 3.714 20 0 GHADLP CCOC(=O)c1c(C)cc(N2CCC3(CC2)[NH2+]CCc2ccccc23)[nH+]c1C ZINC001159020389 1034385254 /nfs/dbraw/zinc/38/52/54/1034385254.db2.gz UNAQHHRLXGNWFR-UHFFFAOYSA-N 2 2 379.504 3.517 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)CC1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001207808902 1034586166 /nfs/dbraw/zinc/58/61/66/1034586166.db2.gz ONNVNRUJTTUPLE-UHFFFAOYSA-N 2 2 376.545 3.632 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)CC1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001207808902 1034586172 /nfs/dbraw/zinc/58/61/72/1034586172.db2.gz ONNVNRUJTTUPLE-UHFFFAOYSA-N 2 2 376.545 3.632 20 0 GHADLP C[C@@H]1C[C@H](C[NH+]2CCC(c3c[nH+]cn3C)CC2)CCN1C(=O)OC(C)(C)C ZINC001207822462 1034599663 /nfs/dbraw/zinc/59/96/63/1034599663.db2.gz AIFMJOZCFQTETC-IAGOWNOFSA-N 2 2 376.545 3.635 20 0 GHADLP Fc1cccc(Nc2ccccc2C[NH+]2CCOCC2)c1OC1CC[NH2+]CC1 ZINC001160173821 1034888700 /nfs/dbraw/zinc/88/87/00/1034888700.db2.gz MKHHQGGCLMCGSW-UHFFFAOYSA-N 2 2 385.483 3.532 20 0 GHADLP CC[C@@H](CCC(=O)OC)C[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001208789418 1035023157 /nfs/dbraw/zinc/02/31/57/1035023157.db2.gz TWUWYUMTCULQRK-INIZCTEOSA-N 2 2 381.476 3.973 20 0 GHADLP Cc1ccc(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c(C)n1 ZINC001232084396 1035085246 /nfs/dbraw/zinc/08/52/46/1035085246.db2.gz PWHURMLWSUJLFY-UHFFFAOYSA-N 2 2 376.504 3.877 20 0 GHADLP Cc1ccc(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c(C)n1 ZINC001232084396 1035085252 /nfs/dbraw/zinc/08/52/52/1035085252.db2.gz PWHURMLWSUJLFY-UHFFFAOYSA-N 2 2 376.504 3.877 20 0 GHADLP Cc1ccc(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c(C)n1 ZINC001232084396 1035085261 /nfs/dbraw/zinc/08/52/61/1035085261.db2.gz PWHURMLWSUJLFY-UHFFFAOYSA-N 2 2 376.504 3.877 20 0 GHADLP Cc1ccc(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c(C)n1 ZINC001232084396 1035085270 /nfs/dbraw/zinc/08/52/70/1035085270.db2.gz PWHURMLWSUJLFY-UHFFFAOYSA-N 2 2 376.504 3.877 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208941545 1035109891 /nfs/dbraw/zinc/10/98/91/1035109891.db2.gz LPMOATACMKUAAC-ZVDOUQERSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208941545 1035109893 /nfs/dbraw/zinc/10/98/93/1035109893.db2.gz LPMOATACMKUAAC-ZVDOUQERSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208941545 1035109898 /nfs/dbraw/zinc/10/98/98/1035109898.db2.gz LPMOATACMKUAAC-ZVDOUQERSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208941545 1035109903 /nfs/dbraw/zinc/10/99/03/1035109903.db2.gz LPMOATACMKUAAC-ZVDOUQERSA-N 2 2 387.568 3.838 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCN(c3ncccc3C(F)(F)F)CC2)c1 ZINC001232145416 1035123282 /nfs/dbraw/zinc/12/32/82/1035123282.db2.gz RWPVQPVABACBAU-UHFFFAOYSA-N 2 2 396.432 3.623 20 0 GHADLP COc1ccc(Cl)cc1N1CC[NH+](Cc2cc(F)cc(C[NH+](C)C)c2)CC1 ZINC001232146569 1035125018 /nfs/dbraw/zinc/12/50/18/1035125018.db2.gz UKRFLTQZTIULBI-UHFFFAOYSA-N 2 2 391.918 3.872 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001208999741 1035143599 /nfs/dbraw/zinc/14/35/99/1035143599.db2.gz RZUYRWYMSCVRST-OAQYLSRUSA-N 2 2 385.552 3.519 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001208999741 1035143603 /nfs/dbraw/zinc/14/36/03/1035143603.db2.gz RZUYRWYMSCVRST-OAQYLSRUSA-N 2 2 385.552 3.519 20 0 GHADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001209006045 1035147071 /nfs/dbraw/zinc/14/70/71/1035147071.db2.gz YDARYAHQMGQMEI-FQEVSTJZSA-N 2 2 391.531 3.731 20 0 GHADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001209006045 1035147075 /nfs/dbraw/zinc/14/70/75/1035147075.db2.gz YDARYAHQMGQMEI-FQEVSTJZSA-N 2 2 391.531 3.731 20 0 GHADLP CCOC(C)(C)C[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001209078380 1035164699 /nfs/dbraw/zinc/16/46/99/1035164699.db2.gz IVORPPPYOVALLU-UHFFFAOYSA-N 2 2 397.604 3.597 20 0 GHADLP CCOC(C)(C)C[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001209078380 1035164701 /nfs/dbraw/zinc/16/47/01/1035164701.db2.gz IVORPPPYOVALLU-UHFFFAOYSA-N 2 2 397.604 3.597 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1ccccc1C(F)(F)F)C2 ZINC001209287111 1035231944 /nfs/dbraw/zinc/23/19/44/1035231944.db2.gz ZNYCEQUUZVDCSJ-UHFFFAOYSA-N 2 2 380.458 3.800 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1ccccc1C(F)(F)F)C2 ZINC001209287111 1035231950 /nfs/dbraw/zinc/23/19/50/1035231950.db2.gz ZNYCEQUUZVDCSJ-UHFFFAOYSA-N 2 2 380.458 3.800 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1ccccc1C(F)(F)F)C2 ZINC001209287111 1035231955 /nfs/dbraw/zinc/23/19/55/1035231955.db2.gz ZNYCEQUUZVDCSJ-UHFFFAOYSA-N 2 2 380.458 3.800 20 0 GHADLP Cc1cccc2c(C[NH+]3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)c[nH]c21 ZINC001209486920 1035289429 /nfs/dbraw/zinc/28/94/29/1035289429.db2.gz ZORWSJXGPMUTBR-UHFFFAOYSA-N 2 2 376.504 3.743 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c1C ZINC001209605844 1035327386 /nfs/dbraw/zinc/32/73/86/1035327386.db2.gz VQFKXNHGIWHZIL-OYRHEFFESA-N 2 2 395.547 3.680 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c1C ZINC001209605844 1035327389 /nfs/dbraw/zinc/32/73/89/1035327389.db2.gz VQFKXNHGIWHZIL-OYRHEFFESA-N 2 2 395.547 3.680 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)c1C ZINC001209605844 1035327394 /nfs/dbraw/zinc/32/73/94/1035327394.db2.gz VQFKXNHGIWHZIL-OYRHEFFESA-N 2 2 395.547 3.680 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)c1C ZINC001209605844 1035327401 /nfs/dbraw/zinc/32/74/01/1035327401.db2.gz VQFKXNHGIWHZIL-OYRHEFFESA-N 2 2 395.547 3.680 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c4cc(F)ccc34)CC2)C1 ZINC001209687121 1035355954 /nfs/dbraw/zinc/35/59/54/1035355954.db2.gz MMHHKQMUKJTOND-MRXNPFEDSA-N 2 2 387.499 3.547 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c4cc(F)ccc34)CC2)C1 ZINC001209687121 1035355959 /nfs/dbraw/zinc/35/59/59/1035355959.db2.gz MMHHKQMUKJTOND-MRXNPFEDSA-N 2 2 387.499 3.547 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cn(C)c4ccnc(Cl)c34)C2)C1 ZINC001248835470 1036191528 /nfs/dbraw/zinc/19/15/28/1036191528.db2.gz GSCIYNHCNDAGSD-NRFANRHFSA-N 2 2 390.959 3.550 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cn(C)c4ccnc(Cl)c34)C2)C1 ZINC001248835470 1036191540 /nfs/dbraw/zinc/19/15/40/1036191540.db2.gz GSCIYNHCNDAGSD-NRFANRHFSA-N 2 2 390.959 3.550 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cn(C)c4ccnc(Cl)c34)C2)C1 ZINC001248835470 1036191548 /nfs/dbraw/zinc/19/15/48/1036191548.db2.gz GSCIYNHCNDAGSD-NRFANRHFSA-N 2 2 390.959 3.550 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cn(C)c4ccnc(Cl)c34)C2)C1 ZINC001248835470 1036191555 /nfs/dbraw/zinc/19/15/55/1036191555.db2.gz GSCIYNHCNDAGSD-NRFANRHFSA-N 2 2 390.959 3.550 20 0 GHADLP Fc1cc(OCC[NH+]2CCOCC2)ccc1-c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC001244135562 1036388199 /nfs/dbraw/zinc/38/81/99/1036388199.db2.gz PNNVNTAMOAEJJK-HXUWFJFHSA-N 2 2 384.495 3.671 20 0 GHADLP CC(C)c1ccc(OC[C@H](O)C[NH2+]C2(c3ccc(F)cc3)CC[NH2+]CC2)cc1 ZINC001246000511 1037121228 /nfs/dbraw/zinc/12/12/28/1037121228.db2.gz PIVCGHHOSRSMLC-OAQYLSRUSA-N 2 2 386.511 3.557 20 0 GHADLP O[C@H](C[NH2+]C1(c2ccc(Cl)cc2)CC[NH2+]CC1)COc1ccc(Cl)cc1 ZINC001246003830 1037123530 /nfs/dbraw/zinc/12/35/30/1037123530.db2.gz WCBJMCRHZGFRGW-GOSISDBHSA-N 2 2 395.330 3.602 20 0 GHADLP CCCC[C@@H](CC)COC[C@@H](O)C[NH2+]C1(c2ccccc2F)CC[NH2+]CC1 ZINC001246009563 1037129135 /nfs/dbraw/zinc/12/91/35/1037129135.db2.gz ZBBYSUPMADLPKI-MOPGFXCFSA-N 2 2 380.548 3.588 20 0 GHADLP [NH3+]C1CC([NH2+][C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246112779 1037197828 /nfs/dbraw/zinc/19/78/28/1037197828.db2.gz OEGATVRUVRQQOK-CRVDUZPGSA-N 3 2 375.560 3.831 20 0 GHADLP [NH3+]C1CC([NH2+][C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246112779 1037197845 /nfs/dbraw/zinc/19/78/45/1037197845.db2.gz OEGATVRUVRQQOK-CRVDUZPGSA-N 3 2 375.560 3.831 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246288905 1037279194 /nfs/dbraw/zinc/27/91/94/1037279194.db2.gz HXYFWAFEVDRLRP-JWQCQUIFSA-N 3 2 377.576 3.646 20 0 GHADLP O=C(c1ccccc1)N1CCC[C@H]([NH2+]C2(c3ccccc3Cl)CC[NH2+]CC2)C1 ZINC001246377065 1037335433 /nfs/dbraw/zinc/33/54/33/1037335433.db2.gz YQAIXVCRDMCCOW-IBGZPJMESA-N 2 2 397.950 3.813 20 0 GHADLP O=C1C[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CN1Cc1ccccc1Cl ZINC001246497491 1037441405 /nfs/dbraw/zinc/44/14/05/1037441405.db2.gz MTYJOFPRWAODQU-ZJOUEHCJSA-N 2 2 383.923 3.524 20 0 GHADLP COc1cccc([C@H](C[NH3+])[NH2+][C@H]2CCc3cccc(Br)c3C2)c1 ZINC001246513159 1037453132 /nfs/dbraw/zinc/45/31/32/1037453132.db2.gz WAXJQJDODPILAG-KXBFYZLASA-N 2 2 375.310 3.605 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@H]([N@@H+]2CCC[C@@]4(C[NH2+]CCO4)C2)CC3)cc1 ZINC001246651045 1037526215 /nfs/dbraw/zinc/52/62/15/1037526215.db2.gz VVZYWOHAPZQIIB-ILBGXUMGSA-N 2 2 392.543 3.577 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@H]([N@H+]2CCC[C@@]4(C[NH2+]CCO4)C2)CC3)cc1 ZINC001246651045 1037526221 /nfs/dbraw/zinc/52/62/21/1037526221.db2.gz VVZYWOHAPZQIIB-ILBGXUMGSA-N 2 2 392.543 3.577 20 0 GHADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)C[NH2+]1 ZINC001246657417 1037532139 /nfs/dbraw/zinc/53/21/39/1037532139.db2.gz HZCPXVIZSCYAAA-ZXMXYHOLSA-N 2 2 379.548 3.672 20 0 GHADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)C[NH2+]1 ZINC001246657417 1037532151 /nfs/dbraw/zinc/53/21/51/1037532151.db2.gz HZCPXVIZSCYAAA-ZXMXYHOLSA-N 2 2 379.548 3.672 20 0 GHADLP c1ccc([C@@H]2C[C@@H]([N@H+]3CCO[C@@]4(CCCN(c5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246714224 1037564946 /nfs/dbraw/zinc/56/49/46/1037564946.db2.gz JYPGPAIPTFKDJJ-CCDWMCETSA-N 2 2 391.559 3.851 20 0 GHADLP c1ccc([C@@H]2C[C@@H]([N@@H+]3CCO[C@@]4(CCCN(c5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246714224 1037564962 /nfs/dbraw/zinc/56/49/62/1037564962.db2.gz JYPGPAIPTFKDJJ-CCDWMCETSA-N 2 2 391.559 3.851 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)CC2 ZINC001246739903 1037583700 /nfs/dbraw/zinc/58/37/00/1037583700.db2.gz OTAJWHQQALCOJY-XPWALMASSA-N 3 2 399.623 3.909 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)CC2 ZINC001246739903 1037583713 /nfs/dbraw/zinc/58/37/13/1037583713.db2.gz OTAJWHQQALCOJY-XPWALMASSA-N 3 2 399.623 3.909 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1C ZINC001462201963 1070079795 /nfs/dbraw/zinc/07/97/95/1070079795.db2.gz LAVHCELJUWDHEK-VXKWHMMOSA-N 2 2 375.472 3.997 20 0 GHADLP [NH3+][C@H]1C[C@@H](C(F)(F)F)C[N@@H+](C2CCC(C3CCC4(CC3)OCCO4)CC2)C1 ZINC001246828188 1037660606 /nfs/dbraw/zinc/66/06/06/1037660606.db2.gz ZOZMLUNEZYAZTP-MKFDVMFOSA-N 2 2 390.490 3.690 20 0 GHADLP [NH3+][C@H]1C[C@@H](C(F)(F)F)C[N@H+](C2CCC(C3CCC4(CC3)OCCO4)CC2)C1 ZINC001246828188 1037660619 /nfs/dbraw/zinc/66/06/19/1037660619.db2.gz ZOZMLUNEZYAZTP-MKFDVMFOSA-N 2 2 390.490 3.690 20 0 GHADLP COc1ccc(Cl)cc1N1CC[NH+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC001246831433 1037662579 /nfs/dbraw/zinc/66/25/79/1037662579.db2.gz FASYUNDTJFGRPQ-UXHICEINSA-N 2 2 385.939 3.964 20 0 GHADLP CCCC[C@@H]1C[C@H]([NH+]2CCN(c3cc(C)nn3-c3ccccc3)CC2)CC[NH2+]1 ZINC001246881203 1037697414 /nfs/dbraw/zinc/69/74/14/1037697414.db2.gz YTIZXGOZYQNFST-IFMALSPDSA-N 2 2 381.568 3.614 20 0 GHADLP Fc1cc(F)c(C[N@H+](C2CC[NH2+]CC2)C2CCC3(CC[NH2+]C3)CC2)c(F)c1 ZINC001246955609 1037765138 /nfs/dbraw/zinc/76/51/38/1037765138.db2.gz LVUVRGADMRPPIG-UHFFFAOYSA-N 3 2 381.486 3.580 20 0 GHADLP Fc1cc(F)c(C[N@@H+](C2CC[NH2+]CC2)C2CCC3(CC[NH2+]C3)CC2)c(F)c1 ZINC001246955609 1037765148 /nfs/dbraw/zinc/76/51/48/1037765148.db2.gz LVUVRGADMRPPIG-UHFFFAOYSA-N 3 2 381.486 3.580 20 0 GHADLP CCn1c2ccccc2nc1N1CC[NH+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC001246968984 1037791723 /nfs/dbraw/zinc/79/17/23/1037791723.db2.gz RZWMGDAQAVJGFP-UNMCSNQZSA-N 2 2 389.547 3.672 20 0 GHADLP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001462232244 1070105068 /nfs/dbraw/zinc/10/50/68/1070105068.db2.gz QFDFQRZRKKKOJY-HKUYNNGSSA-N 2 2 375.557 3.932 20 0 GHADLP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001462232244 1070105073 /nfs/dbraw/zinc/10/50/73/1070105073.db2.gz QFDFQRZRKKKOJY-HKUYNNGSSA-N 2 2 375.557 3.932 20 0 GHADLP CSc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001232328718 1038107804 /nfs/dbraw/zinc/10/78/04/1038107804.db2.gz IDAOMJRBPVPVST-CEWLAPEOSA-N 2 2 382.577 3.931 20 0 GHADLP CSc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001232328718 1038107811 /nfs/dbraw/zinc/10/78/11/1038107811.db2.gz IDAOMJRBPVPVST-CEWLAPEOSA-N 2 2 382.577 3.931 20 0 GHADLP CSc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001232328718 1038107815 /nfs/dbraw/zinc/10/78/15/1038107815.db2.gz IDAOMJRBPVPVST-CEWLAPEOSA-N 2 2 382.577 3.931 20 0 GHADLP CSc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001232328718 1038107824 /nfs/dbraw/zinc/10/78/24/1038107824.db2.gz IDAOMJRBPVPVST-CEWLAPEOSA-N 2 2 382.577 3.931 20 0 GHADLP Cc1cccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1OCc1ccccc1 ZINC001232401445 1038185791 /nfs/dbraw/zinc/18/57/91/1038185791.db2.gz KALIJQNNDKJGMJ-UHFFFAOYSA-N 2 2 393.575 3.787 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)c(OC)cc1C ZINC001232829625 1038582292 /nfs/dbraw/zinc/58/22/92/1038582292.db2.gz FTZSEVLRFRPMDJ-FGZHOGPDSA-N 2 2 380.532 3.884 20 0 GHADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc(Cl)ncc1O)CC2 ZINC001233034708 1038788953 /nfs/dbraw/zinc/78/89/53/1038788953.db2.gz KYXYLAGPMWVHIO-UHFFFAOYSA-N 2 2 386.927 3.712 20 0 GHADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc(Cl)ncc1O)CC2 ZINC001233034708 1038788967 /nfs/dbraw/zinc/78/89/67/1038788967.db2.gz KYXYLAGPMWVHIO-UHFFFAOYSA-N 2 2 386.927 3.712 20 0 GHADLP Fc1ccc(Oc2cccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)c2)cc1 ZINC001233210706 1038972681 /nfs/dbraw/zinc/97/26/81/1038972681.db2.gz FDKKXPALMFUTMB-UHFFFAOYSA-N 2 2 383.511 3.831 20 0 GHADLP COc1cc(Br)cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001233217031 1038978505 /nfs/dbraw/zinc/97/85/05/1038978505.db2.gz KGJSIBIHNWRZLH-INIZCTEOSA-N 2 2 377.282 3.814 20 0 GHADLP COc1cc(Br)cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001233217031 1038978512 /nfs/dbraw/zinc/97/85/12/1038978512.db2.gz KGJSIBIHNWRZLH-INIZCTEOSA-N 2 2 377.282 3.814 20 0 GHADLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(F)cc3OCc3ccccc3)CC2)CC1 ZINC001233245359 1039001260 /nfs/dbraw/zinc/00/12/60/1039001260.db2.gz QVIYRNGUHUXLCF-UHFFFAOYSA-N 2 2 397.538 3.617 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)Cc2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC001233295689 1039084984 /nfs/dbraw/zinc/08/49/84/1039084984.db2.gz KITCCKIDBDKMHA-UHFFFAOYSA-N 2 2 395.478 3.882 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)Cc2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC001233295689 1039085001 /nfs/dbraw/zinc/08/50/01/1039085001.db2.gz KITCCKIDBDKMHA-UHFFFAOYSA-N 2 2 395.478 3.882 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)o1)CC2 ZINC001233314945 1039107207 /nfs/dbraw/zinc/10/72/07/1039107207.db2.gz RRSJJSWZTVXYRN-KRWDZBQOSA-N 2 2 375.900 3.584 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)o1)CC2 ZINC001233314945 1039107229 /nfs/dbraw/zinc/10/72/29/1039107229.db2.gz RRSJJSWZTVXYRN-KRWDZBQOSA-N 2 2 375.900 3.584 20 0 GHADLP CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001252755102 1039136487 /nfs/dbraw/zinc/13/64/87/1039136487.db2.gz RLAWQWZFKLQXQH-NRFANRHFSA-N 2 2 392.559 3.622 20 0 GHADLP Cc1ccccc1[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC001252917517 1039257580 /nfs/dbraw/zinc/25/75/80/1039257580.db2.gz SZNIDLXUOVEZSY-LOSJGSFVSA-N 2 2 387.527 3.706 20 0 GHADLP Cc1ccccc1[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC001252917517 1039257590 /nfs/dbraw/zinc/25/75/90/1039257590.db2.gz SZNIDLXUOVEZSY-LOSJGSFVSA-N 2 2 387.527 3.706 20 0 GHADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(Oc2ccc(Cl)c(Cl)c2)CC1 ZINC001253187871 1039466178 /nfs/dbraw/zinc/46/61/78/1039466178.db2.gz KGIZVSXEFUQTFI-AWEZNQCLSA-N 2 2 375.340 3.539 20 0 GHADLP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4csc(C)n4)CCO[C@@H]3C2)sc1C ZINC001233685422 1039535480 /nfs/dbraw/zinc/53/54/80/1039535480.db2.gz RBWNQZGFMDOSOG-YLJYHZDGSA-N 2 2 391.606 3.853 20 0 GHADLP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4csc(C)n4)CCO[C@@H]3C2)sc1C ZINC001233685422 1039535489 /nfs/dbraw/zinc/53/54/89/1039535489.db2.gz RBWNQZGFMDOSOG-YLJYHZDGSA-N 2 2 391.606 3.853 20 0 GHADLP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)sc1C ZINC001233685422 1039535495 /nfs/dbraw/zinc/53/54/95/1039535495.db2.gz RBWNQZGFMDOSOG-YLJYHZDGSA-N 2 2 391.606 3.853 20 0 GHADLP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)sc1C ZINC001233685422 1039535500 /nfs/dbraw/zinc/53/55/00/1039535500.db2.gz RBWNQZGFMDOSOG-YLJYHZDGSA-N 2 2 391.606 3.853 20 0 GHADLP CCCCC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001253554326 1039701961 /nfs/dbraw/zinc/70/19/61/1039701961.db2.gz KYFSAROIUJQRQC-DNQXCXABSA-N 2 2 384.564 3.581 20 0 GHADLP CCOC[C@H]1COCCC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)c(OC)c1)CC2 ZINC001234057922 1039791840 /nfs/dbraw/zinc/79/18/40/1039791840.db2.gz FIDATXDPGFPKCH-FQEVSTJZSA-N 2 2 399.535 3.536 20 0 GHADLP COc1cc(C[NH+]2CCC(Oc3cc(C)ccn3)CC2)ccc1-n1cc[nH+]c1 ZINC001234084211 1039821195 /nfs/dbraw/zinc/82/11/95/1039821195.db2.gz DHTLGYGIQOQCLK-UHFFFAOYSA-N 2 2 378.476 3.628 20 0 GHADLP Brc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)s2)s1 ZINC001234970494 1040472911 /nfs/dbraw/zinc/47/29/11/1040472911.db2.gz IKQJIWNZZOYFDB-DGCLKSJQSA-N 2 2 399.379 3.659 20 0 GHADLP Brc1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)s2)s1 ZINC001234970494 1040472923 /nfs/dbraw/zinc/47/29/23/1040472923.db2.gz IKQJIWNZZOYFDB-DGCLKSJQSA-N 2 2 399.379 3.659 20 0 GHADLP OC[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)C2 ZINC001235000343 1040494909 /nfs/dbraw/zinc/49/49/09/1040494909.db2.gz DOELDWDEGIHMLG-XLIONFOSSA-N 2 2 392.421 3.511 20 0 GHADLP OC[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)C2 ZINC001235000343 1040494914 /nfs/dbraw/zinc/49/49/14/1040494914.db2.gz DOELDWDEGIHMLG-XLIONFOSSA-N 2 2 392.421 3.511 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c(OCc2ccccc2)c1 ZINC001235023729 1040516231 /nfs/dbraw/zinc/51/62/31/1040516231.db2.gz WKFUPJWFTOVDGV-XMMPIXPASA-N 2 2 380.532 3.776 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c(OCc2ccccc2)c1 ZINC001235023729 1040516247 /nfs/dbraw/zinc/51/62/47/1040516247.db2.gz WKFUPJWFTOVDGV-XMMPIXPASA-N 2 2 380.532 3.776 20 0 GHADLP Cc1c(I)cccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038618 1040531377 /nfs/dbraw/zinc/53/13/77/1040531377.db2.gz OTPNGLIGMUKYFP-KRWDZBQOSA-N 2 2 384.305 3.708 20 0 GHADLP Cc1c(I)cccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038618 1040531392 /nfs/dbraw/zinc/53/13/92/1040531392.db2.gz OTPNGLIGMUKYFP-KRWDZBQOSA-N 2 2 384.305 3.708 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c2c1OC(F)(F)O2 ZINC001462478822 1070287135 /nfs/dbraw/zinc/28/71/35/1070287135.db2.gz VWAFBEZKYFVMBZ-CYBMUJFWSA-N 2 2 380.357 3.844 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c2c1OC(F)(F)O2 ZINC001462478822 1070287147 /nfs/dbraw/zinc/28/71/47/1070287147.db2.gz VWAFBEZKYFVMBZ-CYBMUJFWSA-N 2 2 380.357 3.844 20 0 GHADLP Brc1cccc(CC2([NH2+][C@H]3CC4CC[NH+](CC4)C3)CCOCC2)c1 ZINC001254846531 1040590194 /nfs/dbraw/zinc/59/01/94/1040590194.db2.gz WDQCYMJOKHERAQ-IBGZPJMESA-N 2 2 393.369 3.615 20 0 GHADLP Cc1cccc(C2(C[NH2+][C@@H]3CC4CC[NH+](CC4)C3)CCC3(CC2)OCCO3)c1 ZINC001254845784 1040590868 /nfs/dbraw/zinc/59/08/68/1040590868.db2.gz QBRPAMJGHGIQGG-JOCHJYFZSA-N 2 2 384.564 3.624 20 0 GHADLP Brc1ccn2c(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cnc2c1 ZINC001235290837 1040763891 /nfs/dbraw/zinc/76/38/91/1040763891.db2.gz XPPCSWGINQGMFZ-KRWDZBQOSA-N 2 2 391.357 3.937 20 0 GHADLP Brc1ccn2c(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cnc2c1 ZINC001235290837 1040763907 /nfs/dbraw/zinc/76/39/07/1040763907.db2.gz XPPCSWGINQGMFZ-KRWDZBQOSA-N 2 2 391.357 3.937 20 0 GHADLP COC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(O)c1 ZINC001255131110 1040825076 /nfs/dbraw/zinc/82/50/76/1040825076.db2.gz YKMDGJVCNBCAHO-ADYITMSISA-N 2 2 394.515 3.782 20 0 GHADLP COC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(O)c1 ZINC001255131110 1040825089 /nfs/dbraw/zinc/82/50/89/1040825089.db2.gz YKMDGJVCNBCAHO-ADYITMSISA-N 2 2 394.515 3.782 20 0 GHADLP Oc1ccc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1C(F)(F)F ZINC001235355863 1040832939 /nfs/dbraw/zinc/83/29/39/1040832939.db2.gz UORFBKQXQTYVLI-UYAOXDASSA-N 2 2 376.422 3.990 20 0 GHADLP Oc1ccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1C(F)(F)F ZINC001235355863 1040832953 /nfs/dbraw/zinc/83/29/53/1040832953.db2.gz UORFBKQXQTYVLI-UYAOXDASSA-N 2 2 376.422 3.990 20 0 GHADLP c1[nH+]cn(Cc2ccccc2)c1CN1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235368939 1040864897 /nfs/dbraw/zinc/86/48/97/1040864897.db2.gz XLFUTRKPKKCIMR-ILBGXUMGSA-N 2 2 386.543 3.685 20 0 GHADLP CCOc1cccc(N2CC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)n1 ZINC001255407775 1040995059 /nfs/dbraw/zinc/99/50/59/1040995059.db2.gz DFAPJPTTWNECOJ-JOCHJYFZSA-N 2 2 394.563 3.657 20 0 GHADLP CCOc1cccc(N2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)n1 ZINC001255407775 1040995060 /nfs/dbraw/zinc/99/50/60/1040995060.db2.gz DFAPJPTTWNECOJ-JOCHJYFZSA-N 2 2 394.563 3.657 20 0 GHADLP COC1CCC([NH2+]C[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001255450359 1041052238 /nfs/dbraw/zinc/05/22/38/1041052238.db2.gz VYWAWYMFXWDAIS-NSQNTRMNSA-N 2 2 382.548 3.597 20 0 GHADLP CC(C)Oc1c(Cl)cc(CN2CC[NH+](C3CC[NH2+]CC3)CC2)cc1Cl ZINC001235699527 1041176955 /nfs/dbraw/zinc/17/69/55/1041176955.db2.gz PDOVZROEJLBAMI-UHFFFAOYSA-N 2 2 386.367 3.650 20 0 GHADLP Nc1ccc(OC(F)(F)F)cc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001235790052 1041281670 /nfs/dbraw/zinc/28/16/70/1041281670.db2.gz ZLZPMNLYFLFEFO-QZTJIDSGSA-N 2 2 391.437 3.731 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@H](C)Cc3ccc(C)cc3)CC2)cc1 ZINC001255782548 1041291093 /nfs/dbraw/zinc/29/10/93/1041291093.db2.gz XGPYDNUEKYDJPI-LJQANCHMSA-N 2 2 380.532 3.967 20 0 GHADLP CC1([NH+]2CCN(Cc3ccc(Oc4ccc(F)cc4)cc3)CC2)CC[NH2+]CC1 ZINC001235815826 1041329699 /nfs/dbraw/zinc/32/96/99/1041329699.db2.gz PPOKDVPBJAENHM-UHFFFAOYSA-N 2 2 383.511 3.878 20 0 GHADLP Cc1ccc(C)c2nc(Cl)c(CN3CC[NH+](C4(C)CC[NH2+]CC4)CC3)cc12 ZINC001235821968 1041338306 /nfs/dbraw/zinc/33/83/06/1041338306.db2.gz OSPFINPAFMRTTQ-UHFFFAOYSA-N 2 2 386.971 3.765 20 0 GHADLP Brc1cc(CN2CC[NH2+][C@H](c3ccccc3)C2)ccc1-n1cc[nH+]c1 ZINC001235858757 1041387937 /nfs/dbraw/zinc/38/79/37/1041387937.db2.gz ZOKAVOOZOBBVPV-IBGZPJMESA-N 2 2 397.320 3.781 20 0 GHADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255906842 1041390226 /nfs/dbraw/zinc/39/02/26/1041390226.db2.gz LPMLGXKTYGOJHN-NRFANRHFSA-N 2 2 387.568 3.982 20 0 GHADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255906842 1041390235 /nfs/dbraw/zinc/39/02/35/1041390235.db2.gz LPMLGXKTYGOJHN-NRFANRHFSA-N 2 2 387.568 3.982 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(C[C@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001255958713 1041437104 /nfs/dbraw/zinc/43/71/04/1041437104.db2.gz FDAOAZYCLWWSNK-UXHICEINSA-N 3 2 393.641 3.924 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001255958713 1041437121 /nfs/dbraw/zinc/43/71/21/1041437121.db2.gz FDAOAZYCLWWSNK-UXHICEINSA-N 3 2 393.641 3.924 20 0 GHADLP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235935745 1041439309 /nfs/dbraw/zinc/43/93/09/1041439309.db2.gz FBCJHTNSGRULTF-MNOVXSKESA-N 2 2 382.348 3.774 20 0 GHADLP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235935745 1041439315 /nfs/dbraw/zinc/43/93/15/1041439315.db2.gz FBCJHTNSGRULTF-MNOVXSKESA-N 2 2 382.348 3.774 20 0 GHADLP C[N@@H+](Cc1cc(Br)ccc1OC(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC001235956763 1041464531 /nfs/dbraw/zinc/46/45/31/1041464531.db2.gz HOUKHLWDHVYYCV-LLVKDONJSA-N 2 2 381.236 3.779 20 0 GHADLP C[N@H+](Cc1cc(Br)ccc1OC(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC001235956763 1041464538 /nfs/dbraw/zinc/46/45/38/1041464538.db2.gz HOUKHLWDHVYYCV-LLVKDONJSA-N 2 2 381.236 3.779 20 0 GHADLP c1ccc(C(c2ccccc2)[NH+]2CC(CNC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256067100 1041504601 /nfs/dbraw/zinc/50/46/01/1041504601.db2.gz CIZHAYGQKZDUHJ-UHFFFAOYSA-N 2 2 375.560 3.924 20 0 GHADLP C[N@H+](Cc1ccc(Br)c(Br)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216880 1041625832 /nfs/dbraw/zinc/62/58/32/1041625832.db2.gz LVMIMTBZTSMDAA-KGLIPLIRSA-N 2 2 376.136 3.913 20 0 GHADLP C[N@@H+](Cc1ccc(Br)c(Br)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216880 1041625834 /nfs/dbraw/zinc/62/58/34/1041625834.db2.gz LVMIMTBZTSMDAA-KGLIPLIRSA-N 2 2 376.136 3.913 20 0 GHADLP [NH3+]C1CCC([N@H+](Cc2ccccc2)Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001236227913 1041634325 /nfs/dbraw/zinc/63/43/25/1041634325.db2.gz OIYRSJDAZNHIID-UHFFFAOYSA-N 3 2 393.575 3.791 20 0 GHADLP [NH3+]C1CCC([N@@H+](Cc2ccccc2)Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001236227913 1041634329 /nfs/dbraw/zinc/63/43/29/1041634329.db2.gz OIYRSJDAZNHIID-UHFFFAOYSA-N 3 2 393.575 3.791 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)[N@@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236274300 1041650409 /nfs/dbraw/zinc/65/04/09/1041650409.db2.gz NDJNXDIPFYYSBW-DHIUTWEWSA-N 2 2 378.516 3.991 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236274300 1041650415 /nfs/dbraw/zinc/65/04/15/1041650415.db2.gz NDJNXDIPFYYSBW-DHIUTWEWSA-N 2 2 378.516 3.991 20 0 GHADLP Brc1ccc2ncc(C[N@H+](Cc3ccccc3)C3CC[NH2+]CC3)n2c1 ZINC001236300560 1041664895 /nfs/dbraw/zinc/66/48/95/1041664895.db2.gz SDFXJVJHTJBMBK-UHFFFAOYSA-N 2 2 399.336 3.851 20 0 GHADLP Brc1ccc2ncc(C[N@@H+](Cc3ccccc3)C3CC[NH2+]CC3)n2c1 ZINC001236300560 1041664908 /nfs/dbraw/zinc/66/49/08/1041664908.db2.gz SDFXJVJHTJBMBK-UHFFFAOYSA-N 2 2 399.336 3.851 20 0 GHADLP Oc1cc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)ccc1Br ZINC001236300844 1041665372 /nfs/dbraw/zinc/66/53/72/1041665372.db2.gz NJTAIFUIYNMBPC-UHFFFAOYSA-N 2 2 375.310 3.909 20 0 GHADLP Oc1cc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)ccc1Br ZINC001236300844 1041665376 /nfs/dbraw/zinc/66/53/76/1041665376.db2.gz NJTAIFUIYNMBPC-UHFFFAOYSA-N 2 2 375.310 3.909 20 0 GHADLP CCOc1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(Br)cn1 ZINC001236377292 1041688275 /nfs/dbraw/zinc/68/82/75/1041688275.db2.gz YPDRHTHUAQHGHU-HNNXBMFYSA-N 2 2 396.373 3.987 20 0 GHADLP CCOc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(Br)cn1 ZINC001236377292 1041688280 /nfs/dbraw/zinc/68/82/80/1041688280.db2.gz YPDRHTHUAQHGHU-HNNXBMFYSA-N 2 2 396.373 3.987 20 0 GHADLP Brc1ccc(C[N@H+](Cc2ccc3n2CCC3)C2CC[NH2+]CC2)cc1 ZINC001236378209 1041689720 /nfs/dbraw/zinc/68/97/20/1041689720.db2.gz NINGCKAKKNYMQI-UHFFFAOYSA-N 2 2 388.353 3.951 20 0 GHADLP Brc1ccc(C[N@@H+](Cc2ccc3n2CCC3)C2CC[NH2+]CC2)cc1 ZINC001236378209 1041689724 /nfs/dbraw/zinc/68/97/24/1041689724.db2.gz NINGCKAKKNYMQI-UHFFFAOYSA-N 2 2 388.353 3.951 20 0 GHADLP COc1ccc(C[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C2CC[NH2+]CC2)cc1 ZINC001236441896 1041713349 /nfs/dbraw/zinc/71/33/49/1041713349.db2.gz JEFZRGOKAILMIL-UHFFFAOYSA-N 2 2 390.430 3.771 20 0 GHADLP COc1ccc(C[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C2CC[NH2+]CC2)cc1 ZINC001236441896 1041713355 /nfs/dbraw/zinc/71/33/55/1041713355.db2.gz JEFZRGOKAILMIL-UHFFFAOYSA-N 2 2 390.430 3.771 20 0 GHADLP COc1cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc(OC)c1Br ZINC001236474021 1041732177 /nfs/dbraw/zinc/73/21/77/1041732177.db2.gz KQQYQAIUNNXEDE-OAHLLOKOSA-N 2 2 385.346 3.676 20 0 GHADLP COc1cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc(OC)c1Br ZINC001236474021 1041732184 /nfs/dbraw/zinc/73/21/84/1041732184.db2.gz KQQYQAIUNNXEDE-OAHLLOKOSA-N 2 2 385.346 3.676 20 0 GHADLP COc1ccc(CN(Cc2c[nH+]c3c(C)cccn23)C2CC[NH2+]CC2)cc1F ZINC001236514588 1041748078 /nfs/dbraw/zinc/74/80/78/1041748078.db2.gz DSAVGTOGSXHFFH-UHFFFAOYSA-N 2 2 382.483 3.545 20 0 GHADLP COC(=O)c1cc(F)cc(C[N@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)c1 ZINC001236522342 1041752695 /nfs/dbraw/zinc/75/26/95/1041752695.db2.gz MQPXGVPFOOJPMV-UHFFFAOYSA-N 2 2 388.458 3.814 20 0 GHADLP COC(=O)c1cc(F)cc(C[N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)c1 ZINC001236522342 1041752697 /nfs/dbraw/zinc/75/26/97/1041752697.db2.gz MQPXGVPFOOJPMV-UHFFFAOYSA-N 2 2 388.458 3.814 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3cc(Br)ccc3N(C)C)CC2)cc[nH+]1 ZINC001236707919 1041844738 /nfs/dbraw/zinc/84/47/38/1041844738.db2.gz OUMDKKITOVKVKT-UHFFFAOYSA-N 2 2 389.341 3.541 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(F)c4ccoc43)CC2)C1 ZINC001236897483 1041944517 /nfs/dbraw/zinc/94/45/17/1041944517.db2.gz TVDUFJHTBAMQNU-KRWDZBQOSA-N 2 2 388.483 3.811 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(F)c4ccoc43)CC2)C1 ZINC001236897483 1041944522 /nfs/dbraw/zinc/94/45/22/1041944522.db2.gz TVDUFJHTBAMQNU-KRWDZBQOSA-N 2 2 388.483 3.811 20 0 GHADLP COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236902334 1041947679 /nfs/dbraw/zinc/94/76/79/1041947679.db2.gz HBCODTAHBSDLII-WOJBJXKFSA-N 2 2 375.900 3.543 20 0 GHADLP COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236902334 1041947682 /nfs/dbraw/zinc/94/76/82/1041947682.db2.gz HBCODTAHBSDLII-WOJBJXKFSA-N 2 2 375.900 3.543 20 0 GHADLP COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236902343 1041947694 /nfs/dbraw/zinc/94/76/94/1041947694.db2.gz HEFHVUFVGALOLW-RXVVDRJESA-N 2 2 389.927 3.933 20 0 GHADLP COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236902343 1041947696 /nfs/dbraw/zinc/94/76/96/1041947696.db2.gz HEFHVUFVGALOLW-RXVVDRJESA-N 2 2 389.927 3.933 20 0 GHADLP O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236902838 1041947846 /nfs/dbraw/zinc/94/78/46/1041947846.db2.gz JKGXLZXMXMSDIM-OAQYLSRUSA-N 2 2 378.863 3.622 20 0 GHADLP O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236902838 1041947849 /nfs/dbraw/zinc/94/78/49/1041947849.db2.gz JKGXLZXMXMSDIM-OAQYLSRUSA-N 2 2 378.863 3.622 20 0 GHADLP CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC[C@H]21 ZINC001236903994 1041948799 /nfs/dbraw/zinc/94/87/99/1041948799.db2.gz LDXMQSBAWWAQGL-IEBWSBKVSA-N 2 2 386.927 3.605 20 0 GHADLP CC(C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC[C@H]21 ZINC001236903994 1041948802 /nfs/dbraw/zinc/94/88/02/1041948802.db2.gz LDXMQSBAWWAQGL-IEBWSBKVSA-N 2 2 386.927 3.605 20 0 GHADLP COc1cccnc1O[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236910539 1041952608 /nfs/dbraw/zinc/95/26/08/1041952608.db2.gz QWXIHLCFHSPOEH-INIZCTEOSA-N 2 2 384.867 3.583 20 0 GHADLP COc1cccnc1O[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236910539 1041952611 /nfs/dbraw/zinc/95/26/11/1041952611.db2.gz QWXIHLCFHSPOEH-INIZCTEOSA-N 2 2 384.867 3.583 20 0 GHADLP Cc1cccc(-c2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cn2)c1C ZINC001236988042 1041979096 /nfs/dbraw/zinc/97/90/96/1041979096.db2.gz GCZWQBZITFNJAQ-UHFFFAOYSA-N 2 2 378.564 3.579 20 0 GHADLP Brc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c2nsnc21 ZINC001237159893 1042071093 /nfs/dbraw/zinc/07/10/93/1042071093.db2.gz FKYMHBOKFGPMRA-ZDUSSCGKSA-N 2 2 381.343 3.560 20 0 GHADLP Brc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c2nsnc21 ZINC001237159893 1042071096 /nfs/dbraw/zinc/07/10/96/1042071096.db2.gz FKYMHBOKFGPMRA-ZDUSSCGKSA-N 2 2 381.343 3.560 20 0 GHADLP COCC[N@H+](Cc1ccc2cccc(Br)c2n1)C1CC[NH+](C)CC1 ZINC001237174813 1042078832 /nfs/dbraw/zinc/07/88/32/1042078832.db2.gz PUNNHORDYSOEDG-UHFFFAOYSA-N 2 2 392.341 3.540 20 0 GHADLP COCC[N@@H+](Cc1ccc2cccc(Br)c2n1)C1CC[NH+](C)CC1 ZINC001237174813 1042078838 /nfs/dbraw/zinc/07/88/38/1042078838.db2.gz PUNNHORDYSOEDG-UHFFFAOYSA-N 2 2 392.341 3.540 20 0 GHADLP CCOC(=O)COc1cccc(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)c1 ZINC001237912724 1042419604 /nfs/dbraw/zinc/41/96/04/1042419604.db2.gz YJFLLTOFQFMGGU-UHFFFAOYSA-N 2 2 396.531 3.725 20 0 GHADLP CCOC(=O)COc1cccc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC001237912724 1042419606 /nfs/dbraw/zinc/41/96/06/1042419606.db2.gz YJFLLTOFQFMGGU-UHFFFAOYSA-N 2 2 396.531 3.725 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(-c3cccs3)n1)C2 ZINC001238207719 1042519639 /nfs/dbraw/zinc/51/96/39/1042519639.db2.gz FSDUQHRTPFPGTP-XXBNENTESA-N 2 2 397.588 3.990 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(-c3cccs3)n1)C2 ZINC001238207719 1042519642 /nfs/dbraw/zinc/51/96/42/1042519642.db2.gz FSDUQHRTPFPGTP-XXBNENTESA-N 2 2 397.588 3.990 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(-c3cccs3)n1)C2 ZINC001238207719 1042519645 /nfs/dbraw/zinc/51/96/45/1042519645.db2.gz FSDUQHRTPFPGTP-XXBNENTESA-N 2 2 397.588 3.990 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(-c3cccs3)n1)C2 ZINC001238207719 1042519650 /nfs/dbraw/zinc/51/96/50/1042519650.db2.gz FSDUQHRTPFPGTP-XXBNENTESA-N 2 2 397.588 3.990 20 0 GHADLP CCCOc1ccc(Br)c(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1F ZINC001238299181 1042547356 /nfs/dbraw/zinc/54/73/56/1042547356.db2.gz YRDIDPRPKQFISD-UHFFFAOYSA-N 2 2 385.321 3.905 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(F)c1OC(C)C)C2 ZINC001238322806 1042557913 /nfs/dbraw/zinc/55/79/13/1042557913.db2.gz YEJLYZOMOLSAJA-REWPJTCUSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(F)c1OC(C)C)C2 ZINC001238322806 1042557914 /nfs/dbraw/zinc/55/79/14/1042557914.db2.gz YEJLYZOMOLSAJA-REWPJTCUSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(F)c1OC(C)C)C2 ZINC001238322806 1042557916 /nfs/dbraw/zinc/55/79/16/1042557916.db2.gz YEJLYZOMOLSAJA-REWPJTCUSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(F)c1OC(C)C)C2 ZINC001238322806 1042557918 /nfs/dbraw/zinc/55/79/18/1042557918.db2.gz YEJLYZOMOLSAJA-REWPJTCUSA-N 2 2 390.543 3.793 20 0 GHADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(=O)N3CCCCc4ccccc43)CC2)C1 ZINC001462633061 1070429890 /nfs/dbraw/zinc/42/98/90/1070429890.db2.gz ZKXMFDRCDBEDBY-UGKGYDQZSA-N 2 2 383.580 3.989 20 0 GHADLP Cc1cc(C[NH+]2CC(N3CC[NH+](C)CC3)C2)cc(C)c1-c1ccc(F)cc1F ZINC001238561168 1042640945 /nfs/dbraw/zinc/64/09/45/1042640945.db2.gz NKTYXJHEPIRVIS-UHFFFAOYSA-N 2 2 385.502 3.680 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)cc1OC(C)C)C2 ZINC001238694067 1042688127 /nfs/dbraw/zinc/68/81/27/1042688127.db2.gz YPLCOUZOXXWBOB-REWPJTCUSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)cc1OC(C)C)C2 ZINC001238694067 1042688135 /nfs/dbraw/zinc/68/81/35/1042688135.db2.gz YPLCOUZOXXWBOB-REWPJTCUSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(F)cc1OC(C)C)C2 ZINC001238694067 1042688139 /nfs/dbraw/zinc/68/81/39/1042688139.db2.gz YPLCOUZOXXWBOB-REWPJTCUSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(F)cc1OC(C)C)C2 ZINC001238694067 1042688147 /nfs/dbraw/zinc/68/81/47/1042688147.db2.gz YPLCOUZOXXWBOB-REWPJTCUSA-N 2 2 390.543 3.793 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)c(C)cc3OC)CC2)C1 ZINC001238759170 1042716795 /nfs/dbraw/zinc/71/67/95/1042716795.db2.gz YGHYFLCFOVWRGB-IBGZPJMESA-N 2 2 388.552 3.552 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)c(C)cc3OC)CC2)C1 ZINC001238759170 1042716800 /nfs/dbraw/zinc/71/68/00/1042716800.db2.gz YGHYFLCFOVWRGB-IBGZPJMESA-N 2 2 388.552 3.552 20 0 GHADLP c1cc(C[NH+]2CCOCC2)cc(-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)c1 ZINC001240861115 1042960095 /nfs/dbraw/zinc/96/00/95/1042960095.db2.gz MGPOXXQYSXRFTO-UHFFFAOYSA-N 2 2 378.516 3.507 20 0 GHADLP C[C@@H]1C[C@@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CCN1C(=O)OC(C)(C)C ZINC001256490652 1043426964 /nfs/dbraw/zinc/42/69/64/1043426964.db2.gz UDZDHMHGSMTKLI-WBVHZDCISA-N 2 2 392.519 3.567 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(O)c1 ZINC001256529548 1043459283 /nfs/dbraw/zinc/45/92/83/1043459283.db2.gz VHMCYNHODCIQHH-WEYGHZABSA-N 2 2 382.504 3.639 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(O)c1 ZINC001256529548 1043459291 /nfs/dbraw/zinc/45/92/91/1043459291.db2.gz VHMCYNHODCIQHH-WEYGHZABSA-N 2 2 382.504 3.639 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CCO2 ZINC001256537590 1043485171 /nfs/dbraw/zinc/48/51/71/1043485171.db2.gz OOGIMNVLGRBFCQ-NQSCKRDGSA-N 2 2 394.515 3.940 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CCO2 ZINC001256537590 1043485173 /nfs/dbraw/zinc/48/51/73/1043485173.db2.gz OOGIMNVLGRBFCQ-NQSCKRDGSA-N 2 2 394.515 3.940 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256555429 1043525574 /nfs/dbraw/zinc/52/55/74/1043525574.db2.gz UYPGUKYREQWDEF-GATIMQMVSA-N 2 2 375.560 3.998 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256555429 1043525582 /nfs/dbraw/zinc/52/55/82/1043525582.db2.gz UYPGUKYREQWDEF-GATIMQMVSA-N 2 2 375.560 3.998 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001256555429 1043525589 /nfs/dbraw/zinc/52/55/89/1043525589.db2.gz UYPGUKYREQWDEF-GATIMQMVSA-N 2 2 375.560 3.998 20 0 GHADLP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001256555429 1043525593 /nfs/dbraw/zinc/52/55/93/1043525593.db2.gz UYPGUKYREQWDEF-GATIMQMVSA-N 2 2 375.560 3.998 20 0 GHADLP COC(=O)c1cccc2c1CC[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256559705 1043535097 /nfs/dbraw/zinc/53/50/97/1043535097.db2.gz NEZIGICJSNSFSQ-RXVVDRJESA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1cccc2c1CC[N@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256559705 1043535101 /nfs/dbraw/zinc/53/51/01/1043535101.db2.gz NEZIGICJSNSFSQ-RXVVDRJESA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1cccc2c1CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256559705 1043535110 /nfs/dbraw/zinc/53/51/10/1043535110.db2.gz NEZIGICJSNSFSQ-RXVVDRJESA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1cccc2c1CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256559705 1043535120 /nfs/dbraw/zinc/53/51/20/1043535120.db2.gz NEZIGICJSNSFSQ-RXVVDRJESA-N 2 2 378.516 3.884 20 0 GHADLP Fc1ccccc1CC1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCOCC1 ZINC001256584195 1043553796 /nfs/dbraw/zinc/55/37/96/1043553796.db2.gz HKKKMTRQTJRHKK-UHFFFAOYSA-N 2 2 397.538 3.814 20 0 GHADLP COC(=O)C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(OC)c1 ZINC001256600959 1043564498 /nfs/dbraw/zinc/56/44/98/1043564498.db2.gz CSZARQFHEKXTQA-QFIPXVFZSA-N 2 2 382.504 3.554 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC12CC2 ZINC001256604866 1043567014 /nfs/dbraw/zinc/56/70/14/1043567014.db2.gz YXMGBSCWRSBKED-HXUWFJFHSA-N 2 2 385.552 3.640 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC12CC2 ZINC001256604866 1043567016 /nfs/dbraw/zinc/56/70/16/1043567016.db2.gz YXMGBSCWRSBKED-HXUWFJFHSA-N 2 2 385.552 3.640 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC001256605436 1043568502 /nfs/dbraw/zinc/56/85/02/1043568502.db2.gz GUARZLOAWOHSGD-IFMALSPDSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC001256605436 1043568518 /nfs/dbraw/zinc/56/85/18/1043568518.db2.gz GUARZLOAWOHSGD-IFMALSPDSA-N 2 2 399.579 3.982 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC001292093893 1043589133 /nfs/dbraw/zinc/58/91/33/1043589133.db2.gz YAKFDYOCUINTDY-MDZRGWNJSA-N 2 2 379.976 3.815 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+]([C@H]4CCO[C@H](c5ccccc5)C4)CC3)C2)co1 ZINC001256811823 1043668324 /nfs/dbraw/zinc/66/83/24/1043668324.db2.gz PFTGORHBAWBZTL-GOTSBHOMSA-N 2 2 396.531 3.867 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+]([C@H]4CCO[C@H](c5ccccc5)C4)CC3)C2)co1 ZINC001256811823 1043668335 /nfs/dbraw/zinc/66/83/35/1043668335.db2.gz PFTGORHBAWBZTL-GOTSBHOMSA-N 2 2 396.531 3.867 20 0 GHADLP Fc1ccc(F)c(CN2CCC([NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC001256906828 1043733442 /nfs/dbraw/zinc/73/34/42/1043733442.db2.gz DMLBJQIREAFEMU-HXUWFJFHSA-N 2 2 377.523 3.926 20 0 GHADLP Fc1ccc(F)c(CN2CCC([NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001256906828 1043733456 /nfs/dbraw/zinc/73/34/56/1043733456.db2.gz DMLBJQIREAFEMU-HXUWFJFHSA-N 2 2 377.523 3.926 20 0 GHADLP COc1ccc(C[NH+]2CCC(N[C@@H]3CCC[N@@H+](C4CCCC4)C3)CC2)cc1F ZINC001256908088 1043734984 /nfs/dbraw/zinc/73/49/84/1043734984.db2.gz KTXLPBNQXLDRRM-HXUWFJFHSA-N 2 2 389.559 3.795 20 0 GHADLP COc1ccc(C[NH+]2CCC(N[C@@H]3CCC[N@H+](C4CCCC4)C3)CC2)cc1F ZINC001256908088 1043734989 /nfs/dbraw/zinc/73/49/89/1043734989.db2.gz KTXLPBNQXLDRRM-HXUWFJFHSA-N 2 2 389.559 3.795 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)C[C@H](C)O1 ZINC001257092619 1043840921 /nfs/dbraw/zinc/84/09/21/1043840921.db2.gz GBAFUUZVOLJSAJ-HNJRGHQBSA-N 2 2 379.495 3.571 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)C[C@H](C)O1 ZINC001257092619 1043840942 /nfs/dbraw/zinc/84/09/42/1043840942.db2.gz GBAFUUZVOLJSAJ-HNJRGHQBSA-N 2 2 379.495 3.571 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)C[C@H](C)O1 ZINC001257092619 1043840965 /nfs/dbraw/zinc/84/09/65/1043840965.db2.gz GBAFUUZVOLJSAJ-HNJRGHQBSA-N 2 2 379.495 3.571 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)C[C@H](C)O1 ZINC001257092619 1043840978 /nfs/dbraw/zinc/84/09/78/1043840978.db2.gz GBAFUUZVOLJSAJ-HNJRGHQBSA-N 2 2 379.495 3.571 20 0 GHADLP CCOC(=O)c1ccc(C[C@@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001257155847 1043904361 /nfs/dbraw/zinc/90/43/61/1043904361.db2.gz YFAALMLIDMOZGD-DUXKGJEZSA-N 2 2 381.520 3.966 20 0 GHADLP CC(C)[NH+]1CCC([NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC001257214836 1043938713 /nfs/dbraw/zinc/93/87/13/1043938713.db2.gz MXXIEJUSYZPEJY-UHFFFAOYSA-N 2 2 379.589 3.972 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([NH2+]CCOc1cc[nH+]cc1)C2 ZINC001257804693 1044188305 /nfs/dbraw/zinc/18/83/05/1044188305.db2.gz OVDXHMOLWZGYOB-UWJYYQICSA-N 2 2 375.513 3.620 20 0 GHADLP CCOc1ccc(Cl)cc1C[NH+]1CCC2(CCN(CC[NH+](C)C)C2)CC1 ZINC001279050467 1044208597 /nfs/dbraw/zinc/20/85/97/1044208597.db2.gz PGDVMSXBRMWVEF-UHFFFAOYSA-N 2 2 379.976 3.588 20 0 GHADLP FC1(F)CC[N@@H+](C2CCC3(COC3)CC2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001257907828 1044256713 /nfs/dbraw/zinc/25/67/13/1044256713.db2.gz SAVZRNJGWWJHFY-OAQYLSRUSA-N 2 2 391.506 3.574 20 0 GHADLP FC1(F)CC[N@H+](C2CCC3(COC3)CC2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001257907828 1044256721 /nfs/dbraw/zinc/25/67/21/1044256721.db2.gz SAVZRNJGWWJHFY-OAQYLSRUSA-N 2 2 391.506 3.574 20 0 GHADLP FC1(F)CC[NH+](C2CCC3(COC3)CC2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001257907828 1044256726 /nfs/dbraw/zinc/25/67/26/1044256726.db2.gz SAVZRNJGWWJHFY-OAQYLSRUSA-N 2 2 391.506 3.574 20 0 GHADLP FC1(F)CC[NH+](C2CCC3(COC3)CC2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001257907828 1044256734 /nfs/dbraw/zinc/25/67/34/1044256734.db2.gz SAVZRNJGWWJHFY-OAQYLSRUSA-N 2 2 391.506 3.574 20 0 GHADLP CC[NH+](CC)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257972337 1044294854 /nfs/dbraw/zinc/29/48/54/1044294854.db2.gz YGSJWUQCONWIBG-LEWJYISDSA-N 2 2 389.584 3.929 20 0 GHADLP c1ccc(C2CCC([N@@H+]3CCc4nnc(C[NH+]5CCCCC5)n4CC3)CC2)cc1 ZINC001257999452 1044327777 /nfs/dbraw/zinc/32/77/77/1044327777.db2.gz KCLQUAVVZBTXPF-UHFFFAOYSA-N 2 2 393.579 3.849 20 0 GHADLP c1ccc(C2CCC([N@H+]3CCc4nnc(C[NH+]5CCCCC5)n4CC3)CC2)cc1 ZINC001257999452 1044327795 /nfs/dbraw/zinc/32/77/95/1044327795.db2.gz KCLQUAVVZBTXPF-UHFFFAOYSA-N 2 2 393.579 3.849 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141851 1044427056 /nfs/dbraw/zinc/42/70/56/1044427056.db2.gz FLTGBLKSEZUUFL-DEOSSOPVSA-N 2 2 399.579 3.779 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]12CC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141851 1044427064 /nfs/dbraw/zinc/42/70/64/1044427064.db2.gz FLTGBLKSEZUUFL-DEOSSOPVSA-N 2 2 399.579 3.779 20 0 GHADLP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001258304551 1044499433 /nfs/dbraw/zinc/49/94/33/1044499433.db2.gz DUUZTVLLLBLYLH-YYWHXJBOSA-N 2 2 387.593 3.871 20 0 GHADLP CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC001258509757 1044587574 /nfs/dbraw/zinc/58/75/74/1044587574.db2.gz DZDKXRJYPZKFKH-RPWUZVMVSA-N 2 2 379.548 3.535 20 0 GHADLP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC001258509757 1044587593 /nfs/dbraw/zinc/58/75/93/1044587593.db2.gz DZDKXRJYPZKFKH-RPWUZVMVSA-N 2 2 379.548 3.535 20 0 GHADLP CC1(C)COC2(CCC([N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)CC2)OC1 ZINC001258524636 1044602555 /nfs/dbraw/zinc/60/25/55/1044602555.db2.gz OXLPXWQLYBIVHP-RTWAWAEBSA-N 2 2 399.579 3.547 20 0 GHADLP CC1(C)COC2(CCC([N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)CC2)OC1 ZINC001258524636 1044602568 /nfs/dbraw/zinc/60/25/68/1044602568.db2.gz OXLPXWQLYBIVHP-RTWAWAEBSA-N 2 2 399.579 3.547 20 0 GHADLP CC1(C)COC2(CCC([NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)CC2)OC1 ZINC001258524636 1044602580 /nfs/dbraw/zinc/60/25/80/1044602580.db2.gz OXLPXWQLYBIVHP-RTWAWAEBSA-N 2 2 399.579 3.547 20 0 GHADLP CC1(C)COC2(CCC([NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)CC2)OC1 ZINC001258524636 1044602590 /nfs/dbraw/zinc/60/25/90/1044602590.db2.gz OXLPXWQLYBIVHP-RTWAWAEBSA-N 2 2 399.579 3.547 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCC([NH3+])(Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC001258769985 1044754751 /nfs/dbraw/zinc/75/47/51/1044754751.db2.gz BHBJQVYQFKWZLU-UHFFFAOYSA-N 3 2 383.502 3.916 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)/C=C\c3cc(Cl)cc(Cl)c3)c2)CC1 ZINC001302317101 1046907480 /nfs/dbraw/zinc/90/74/80/1046907480.db2.gz NSDGZVJZYRVQGK-IHWYPQMZSA-N 2 2 391.302 3.792 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001303313132 1047356042 /nfs/dbraw/zinc/35/60/42/1047356042.db2.gz LFRYZXPALVTBJB-RYLXDESZSA-N 2 2 375.532 3.682 20 0 GHADLP c1cn(CCN2C[C@@H]3CC[N@H+](Cc4cc(-c5ccsc5)cs4)[C@@H]3C2)c[nH+]1 ZINC001279342232 1047774693 /nfs/dbraw/zinc/77/46/93/1047774693.db2.gz XTLYLPXMFHVZEF-OXJNMPFZSA-N 2 2 384.574 3.879 20 0 GHADLP c1cn(CCN2C[C@@H]3CC[N@@H+](Cc4cc(-c5ccsc5)cs4)[C@@H]3C2)c[nH+]1 ZINC001279342232 1047774696 /nfs/dbraw/zinc/77/46/96/1047774696.db2.gz XTLYLPXMFHVZEF-OXJNMPFZSA-N 2 2 384.574 3.879 20 0 GHADLP Cc1cc(C[NH+]2CC3(C2)CC[NH+](Cc2cc(Cl)ccc2F)CC3)n(C)n1 ZINC001279384682 1047788327 /nfs/dbraw/zinc/78/83/27/1047788327.db2.gz YDUKYPUMEYUHKY-UHFFFAOYSA-N 2 2 376.907 3.619 20 0 GHADLP CC(C)(C[NH+]1CC2(CN(CCn3cc[nH+]c3)C2)C1)Sc1ccc(Cl)cc1 ZINC001279594172 1047858665 /nfs/dbraw/zinc/85/86/65/1047858665.db2.gz URTAABOJLBYCMW-UHFFFAOYSA-N 2 2 390.984 3.725 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC001307677353 1049499496 /nfs/dbraw/zinc/49/94/96/1049499496.db2.gz OPLQFWSMWMUWRJ-UHFFFAOYSA-N 2 2 396.491 3.799 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC001307677353 1049499503 /nfs/dbraw/zinc/49/95/03/1049499503.db2.gz OPLQFWSMWMUWRJ-UHFFFAOYSA-N 2 2 396.491 3.799 20 0 GHADLP CC1([NH+]2CCCC2)CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC001307981912 1049737916 /nfs/dbraw/zinc/73/79/16/1049737916.db2.gz NLARMZVLSRNPLW-UHFFFAOYSA-N 2 2 385.321 3.917 20 0 GHADLP Ic1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001308233490 1049921472 /nfs/dbraw/zinc/92/14/72/1049921472.db2.gz FYCCJHRUELNJHR-UHFFFAOYSA-N 2 2 389.240 3.767 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(C)(C)c1ccccc1 ZINC001308241452 1049923512 /nfs/dbraw/zinc/92/35/12/1049923512.db2.gz WWAKAQQPSVTTDM-FQEVSTJZSA-N 2 2 382.548 3.854 20 0 GHADLP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3c(Cl)ccc4cccnc43)c2)CC1 ZINC001308245384 1049924723 /nfs/dbraw/zinc/92/47/23/1049924723.db2.gz WYTZHMULTVEUFS-UHFFFAOYSA-N 2 2 394.950 3.925 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2Br)[C@H](C)C1 ZINC001308269128 1049931916 /nfs/dbraw/zinc/93/19/16/1049931916.db2.gz IGSPQGZNINNAQW-RDTXWAMCSA-N 2 2 387.337 3.815 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2Br)[C@H](C)C1 ZINC001308269128 1049931920 /nfs/dbraw/zinc/93/19/20/1049931920.db2.gz IGSPQGZNINNAQW-RDTXWAMCSA-N 2 2 387.337 3.815 20 0 GHADLP NC(=O)C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC001308351509 1049955662 /nfs/dbraw/zinc/95/56/62/1049955662.db2.gz UIHLXBAGWDDIPD-OAQYLSRUSA-N 2 2 385.939 3.553 20 0 GHADLP C[C@@]1([NH2+]Cc2ccc(C(N)=O)cc2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001308538127 1050002902 /nfs/dbraw/zinc/00/29/02/1050002902.db2.gz XARYQHLZIBLOGK-AZGAKELHSA-N 2 2 399.538 3.933 20 0 GHADLP C[C@@]1([NH2+]Cc2ccc(C(N)=O)cc2)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001308538127 1050002905 /nfs/dbraw/zinc/00/29/05/1050002905.db2.gz XARYQHLZIBLOGK-AZGAKELHSA-N 2 2 399.538 3.933 20 0 GHADLP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CC[NH+](C)[C@H](c2ccc(Br)cc2)C1 ZINC001308802272 1050100194 /nfs/dbraw/zinc/10/01/94/1050100194.db2.gz QVTOMZJQVAGETN-IPELMVKDSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[NH+](C)[C@H](c2ccc(Br)cc2)C1 ZINC001308802272 1050100201 /nfs/dbraw/zinc/10/02/01/1050100201.db2.gz QVTOMZJQVAGETN-IPELMVKDSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC001308802272 1050100206 /nfs/dbraw/zinc/10/02/06/1050100206.db2.gz QVTOMZJQVAGETN-IPELMVKDSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC001308802272 1050100210 /nfs/dbraw/zinc/10/02/10/1050100210.db2.gz QVTOMZJQVAGETN-IPELMVKDSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@H](c2ccc(Br)cc2)C1 ZINC001308803000 1050101651 /nfs/dbraw/zinc/10/16/51/1050101651.db2.gz QVTOMZJQVAGETN-LZQZEXGQSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@H](c2ccc(Br)cc2)C1 ZINC001308803000 1050101654 /nfs/dbraw/zinc/10/16/54/1050101654.db2.gz QVTOMZJQVAGETN-LZQZEXGQSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[N@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC001308803000 1050101656 /nfs/dbraw/zinc/10/16/56/1050101656.db2.gz QVTOMZJQVAGETN-LZQZEXGQSA-N 2 2 382.390 3.903 20 0 GHADLP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[N@@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC001308803000 1050101659 /nfs/dbraw/zinc/10/16/59/1050101659.db2.gz QVTOMZJQVAGETN-LZQZEXGQSA-N 2 2 382.390 3.903 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc(-c2ccccc2)c[nH]1 ZINC001329061152 1050709349 /nfs/dbraw/zinc/70/93/49/1050709349.db2.gz KBHGMHLIFJBWKJ-UHFFFAOYSA-N 3 2 395.595 3.705 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc(-c2ccccc2)c[nH]1 ZINC001329061152 1050709370 /nfs/dbraw/zinc/70/93/70/1050709370.db2.gz KBHGMHLIFJBWKJ-UHFFFAOYSA-N 3 2 395.595 3.705 20 0 GHADLP CC[C@H]1CN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC001310807172 1051606658 /nfs/dbraw/zinc/60/66/58/1051606658.db2.gz TWSAYQUFWUJBHE-FQEVSTJZSA-N 2 2 377.492 3.771 20 0 GHADLP CC[C@H]1CN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC001310807172 1051606665 /nfs/dbraw/zinc/60/66/65/1051606665.db2.gz TWSAYQUFWUJBHE-FQEVSTJZSA-N 2 2 377.492 3.771 20 0 GHADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001311247597 1051966051 /nfs/dbraw/zinc/96/60/51/1051966051.db2.gz QSSPDVIELMZEOK-HXUWFJFHSA-N 2 2 385.556 3.991 20 0 GHADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001311247597 1051966059 /nfs/dbraw/zinc/96/60/59/1051966059.db2.gz QSSPDVIELMZEOK-HXUWFJFHSA-N 2 2 385.556 3.991 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)c1ccccc1 ZINC001335892758 1052198604 /nfs/dbraw/zinc/19/86/04/1052198604.db2.gz RTMMJAORTNEUCM-FPOVZHCZSA-N 2 2 399.922 3.525 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1cccc(OCc2cccnc2)c1 ZINC001337090775 1052396795 /nfs/dbraw/zinc/39/67/95/1052396795.db2.gz MARGMZAIVUTVMC-UHFFFAOYSA-N 2 2 399.454 3.731 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC001312854856 1052893738 /nfs/dbraw/zinc/89/37/38/1052893738.db2.gz JJCSSLFGIRASNL-QUCCMNQESA-N 2 2 394.991 3.549 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC001312854856 1052893743 /nfs/dbraw/zinc/89/37/43/1052893743.db2.gz JJCSSLFGIRASNL-QUCCMNQESA-N 2 2 394.991 3.549 20 0 GHADLP CN(C(=O)N[C@H]1CCCC2(CC2)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001313342825 1053025295 /nfs/dbraw/zinc/02/52/95/1053025295.db2.gz OWHJVYPBROUCFF-CEWLAPEOSA-N 2 2 390.616 3.688 20 0 GHADLP CN(C(=O)N[C@H]1CCCC2(CC2)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001313342825 1053025296 /nfs/dbraw/zinc/02/52/96/1053025296.db2.gz OWHJVYPBROUCFF-CEWLAPEOSA-N 2 2 390.616 3.688 20 0 GHADLP Cc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(C)n1Cc1ccccn1 ZINC001321833086 1056412388 /nfs/dbraw/zinc/41/23/88/1056412388.db2.gz YFWAZOLNDSDPQZ-UHFFFAOYSA-N 2 2 386.459 3.690 20 0 GHADLP CC[NH+]1CCC([NH+]2CCC(C(=O)Oc3ccc4ccccc4c3OC)CC2)CC1 ZINC000848163692 1056792166 /nfs/dbraw/zinc/79/21/66/1056792166.db2.gz MTOUBEMORKRYQX-UHFFFAOYSA-N 2 2 396.531 3.950 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC001323410903 1056965877 /nfs/dbraw/zinc/96/58/77/1056965877.db2.gz JJOXEDDMBGFCAT-GOSISDBHSA-N 2 2 383.927 3.773 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC001323410903 1056965879 /nfs/dbraw/zinc/96/58/79/1056965879.db2.gz JJOXEDDMBGFCAT-GOSISDBHSA-N 2 2 383.927 3.773 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001324010635 1057054752 /nfs/dbraw/zinc/05/47/52/1057054752.db2.gz NJLHMTFLMUEWDH-HXUWFJFHSA-N 2 2 379.508 3.588 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001324010635 1057054756 /nfs/dbraw/zinc/05/47/56/1057054756.db2.gz NJLHMTFLMUEWDH-HXUWFJFHSA-N 2 2 379.508 3.588 20 0 GHADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001324049996 1057060995 /nfs/dbraw/zinc/06/09/95/1057060995.db2.gz VXLAMOWZZDVYPT-WOJBJXKFSA-N 2 2 381.524 3.881 20 0 GHADLP Cc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)nn1-c1ccc(Cl)cc1 ZINC001325006849 1057262282 /nfs/dbraw/zinc/26/22/82/1057262282.db2.gz QJGBAOHUIMIBRN-UHFFFAOYSA-N 2 2 392.850 3.976 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(OCC(F)(F)F)nc2)[nH+]1 ZINC001326451263 1057486041 /nfs/dbraw/zinc/48/60/41/1057486041.db2.gz JTNUXDRMASQSGU-INIZCTEOSA-N 2 2 380.414 3.803 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(OCC(F)(F)F)nc2)[nH+]1 ZINC001326451263 1057486043 /nfs/dbraw/zinc/48/60/43/1057486043.db2.gz JTNUXDRMASQSGU-INIZCTEOSA-N 2 2 380.414 3.803 20 0 GHADLP CCCCCCNC(=[NH2+])NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000849082033 1057585558 /nfs/dbraw/zinc/58/55/58/1057585558.db2.gz LEGPRDSMUDEIBI-UHFFFAOYSA-N 2 2 380.334 3.642 20 0 GHADLP [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000849084438 1057586798 /nfs/dbraw/zinc/58/67/98/1057586798.db2.gz QJZCLQADERQNGA-UHFFFAOYSA-N 2 2 387.409 3.764 20 0 GHADLP C[NH+](C)[C@H](CNC(=[NH2+])NCCc1cccs1)c1cccc(C(F)(F)F)c1 ZINC000849088179 1057589016 /nfs/dbraw/zinc/58/90/16/1057589016.db2.gz AXESSHWQRJMDBB-MRXNPFEDSA-N 2 2 384.471 3.726 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)ccn12 ZINC001440742709 1058605163 /nfs/dbraw/zinc/60/51/63/1058605163.db2.gz SOTOYYZXHBFCRT-LJQANCHMSA-N 2 2 382.895 3.863 20 0 GHADLP CC[C@@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC001441234071 1058729169 /nfs/dbraw/zinc/72/91/69/1058729169.db2.gz BTZRSNKLLRABBZ-VXKWHMMOSA-N 2 2 399.966 3.896 20 0 GHADLP CC[C@@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC001441234071 1058729179 /nfs/dbraw/zinc/72/91/79/1058729179.db2.gz BTZRSNKLLRABBZ-VXKWHMMOSA-N 2 2 399.966 3.896 20 0 GHADLP CN(C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001443781938 1059204893 /nfs/dbraw/zinc/20/48/93/1059204893.db2.gz UNKFHGJDLCNZBG-FQEVSTJZSA-N 2 2 396.579 3.706 20 0 GHADLP CN(C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001443781938 1059204910 /nfs/dbraw/zinc/20/49/10/1059204910.db2.gz UNKFHGJDLCNZBG-FQEVSTJZSA-N 2 2 396.579 3.706 20 0 GHADLP [NH3+]Cc1ccccc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001340170242 1059738956 /nfs/dbraw/zinc/73/89/56/1059738956.db2.gz XQJHJCGGALAXRF-GOSISDBHSA-N 2 2 375.875 3.505 20 0 GHADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[NH+](C)C ZINC001447822734 1060045091 /nfs/dbraw/zinc/04/50/91/1060045091.db2.gz TZFNAZHLFZTGGT-WZONZLPQSA-N 2 2 376.504 3.531 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC001341686238 1060811357 /nfs/dbraw/zinc/81/13/57/1060811357.db2.gz LCXBEEKAMCADTK-KRWDZBQOSA-N 2 2 387.572 3.544 20 0 GHADLP CC(C)[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC001453496536 1061143846 /nfs/dbraw/zinc/14/38/46/1061143846.db2.gz MVYQBZVRIBGNOH-HXUWFJFHSA-N 2 2 385.577 3.792 20 0 GHADLP CC(C)[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001453496536 1061143852 /nfs/dbraw/zinc/14/38/52/1061143852.db2.gz MVYQBZVRIBGNOH-HXUWFJFHSA-N 2 2 385.577 3.792 20 0 GHADLP Cc1cc(C[N@H+](C)CCCn2cc[nH+]c2)c(C)cc1I ZINC001459882474 1064256000 /nfs/dbraw/zinc/25/60/00/1064256000.db2.gz KWXLGEHOXSEHHR-UHFFFAOYSA-N 2 2 383.277 3.627 20 0 GHADLP Cc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)c(C)cc1I ZINC001459882474 1064256005 /nfs/dbraw/zinc/25/60/05/1064256005.db2.gz KWXLGEHOXSEHHR-UHFFFAOYSA-N 2 2 383.277 3.627 20 0 GHADLP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001465535910 1065696685 /nfs/dbraw/zinc/69/66/85/1065696685.db2.gz BDJSBFDYMHDTPM-RTWAWAEBSA-N 2 2 389.971 3.685 20 0 GHADLP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001465535910 1065696696 /nfs/dbraw/zinc/69/66/96/1065696696.db2.gz BDJSBFDYMHDTPM-RTWAWAEBSA-N 2 2 389.971 3.685 20 0 GHADLP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001465535910 1065696704 /nfs/dbraw/zinc/69/67/04/1065696704.db2.gz BDJSBFDYMHDTPM-RTWAWAEBSA-N 2 2 389.971 3.685 20 0 GHADLP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001465535910 1065696717 /nfs/dbraw/zinc/69/67/17/1065696717.db2.gz BDJSBFDYMHDTPM-RTWAWAEBSA-N 2 2 389.971 3.685 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)[NH+](C)C)cc1 ZINC001467374052 1067260139 /nfs/dbraw/zinc/26/01/39/1067260139.db2.gz XVSCSVZETJEAAZ-HXUWFJFHSA-N 2 2 381.524 3.805 20 0 GHADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCCC3)c2)cc[nH+]1 ZINC000529720258 1067629586 /nfs/dbraw/zinc/62/95/86/1067629586.db2.gz SHAGDFOTNZFJRA-NRFANRHFSA-N 2 2 393.535 3.534 20 0 GHADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H]3CC[N@H+]3C3CCCCC3)c2)cc[nH+]1 ZINC000529720258 1067629590 /nfs/dbraw/zinc/62/95/90/1067629590.db2.gz SHAGDFOTNZFJRA-NRFANRHFSA-N 2 2 393.535 3.534 20 0 GHADLP COC[C@H](C[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1)C(C)C ZINC001460201341 1068857373 /nfs/dbraw/zinc/85/73/73/1068857373.db2.gz IAFCNPBJTABBNN-IBGZPJMESA-N 2 2 394.003 3.845 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC3CC(C)(C)CC(C)(C)C3)CC2)CC1 ZINC001478340014 1078822326 /nfs/dbraw/zinc/82/23/26/1078822326.db2.gz NTZPPAZFHMPJNX-UHFFFAOYSA-N 2 2 392.632 3.793 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC3CC(C)(C)CC(C)(C)C3)CC2)CC1 ZINC001478340014 1078822331 /nfs/dbraw/zinc/82/23/31/1078822331.db2.gz NTZPPAZFHMPJNX-UHFFFAOYSA-N 2 2 392.632 3.793 20 0 GHADLP CC(C)(C)CN1CCC[C@H]([NH+]2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1=O ZINC001460637308 1069047222 /nfs/dbraw/zinc/04/72/22/1069047222.db2.gz IMLGSKVTGGRUMV-FTBPSBKWSA-N 2 2 397.607 3.868 20 0 GHADLP Cc1[nH]c(C2CC[NH+]([C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)[nH+]c1C ZINC001460794460 1069183195 /nfs/dbraw/zinc/18/31/95/1069183195.db2.gz ZXWKOMSMLSVHMV-SFHVURJKSA-N 2 2 390.890 3.804 20 0 GHADLP CC[NH+](CC)CC[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC001471586533 1073148159 /nfs/dbraw/zinc/14/81/59/1073148159.db2.gz IOXUTGZPRTVZHI-YADHBBJMSA-N 2 2 396.535 3.718 20 0 GHADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001479089232 1079099458 /nfs/dbraw/zinc/09/94/58/1079099458.db2.gz RRQFTXORHXHVJV-KRWDZBQOSA-N 2 2 398.338 3.524 20 0 GHADLP C[NH+](Cc1ccc(OCC(F)(F)F)cc1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001473460817 1073976008 /nfs/dbraw/zinc/97/60/08/1073976008.db2.gz FAPWIZQBVWEABG-IBGZPJMESA-N 2 2 396.453 3.552 20 0 GHADLP C[NH+](Cc1ccc(OCC(F)(F)F)cc1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001473460817 1073976011 /nfs/dbraw/zinc/97/60/11/1073976011.db2.gz FAPWIZQBVWEABG-IBGZPJMESA-N 2 2 396.453 3.552 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC001473460817 1073976014 /nfs/dbraw/zinc/97/60/14/1073976014.db2.gz FAPWIZQBVWEABG-IBGZPJMESA-N 2 2 396.453 3.552 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC001473460817 1073976016 /nfs/dbraw/zinc/97/60/16/1073976016.db2.gz FAPWIZQBVWEABG-IBGZPJMESA-N 2 2 396.453 3.552 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+]3CCCC[C@H]3C3CCC3)n2)CC1 ZINC001473613499 1074049355 /nfs/dbraw/zinc/04/93/55/1074049355.db2.gz FWVJQZXBDNJQOV-IBGZPJMESA-N 2 2 390.597 3.968 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+]3CCCC[C@H]3C3CCC3)n2)CC1 ZINC001473613499 1074049365 /nfs/dbraw/zinc/04/93/65/1074049365.db2.gz FWVJQZXBDNJQOV-IBGZPJMESA-N 2 2 390.597 3.968 20 0 GHADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)sc2Br)C1 ZINC001473994675 1074229316 /nfs/dbraw/zinc/22/93/16/1074229316.db2.gz ARNIJQRJKXAFGF-SECBINFHSA-N 2 2 382.165 3.705 20 0 GHADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)sc2Br)C1 ZINC001473994675 1074229318 /nfs/dbraw/zinc/22/93/18/1074229318.db2.gz ARNIJQRJKXAFGF-SECBINFHSA-N 2 2 382.165 3.705 20 0 GHADLP CCS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001474037923 1074244074 /nfs/dbraw/zinc/24/40/74/1074244074.db2.gz ISAOVKUQRFHQPY-TZIWHRDSSA-N 2 2 378.582 3.552 20 0 GHADLP COc1ccc2ccccc2c1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC001474077320 1074256168 /nfs/dbraw/zinc/25/61/68/1074256168.db2.gz ZOGLCKYZSHBSCM-IBGZPJMESA-N 2 2 376.504 3.996 20 0 GHADLP COc1cc(CCC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cc(OC)c1O ZINC001474222402 1074298552 /nfs/dbraw/zinc/29/85/52/1074298552.db2.gz PNIPTVKLNGDQDV-HXUWFJFHSA-N 2 2 398.547 3.985 20 0 GHADLP COc1cc(CCC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cc(OC)c1O ZINC001474222402 1074298558 /nfs/dbraw/zinc/29/85/58/1074298558.db2.gz PNIPTVKLNGDQDV-HXUWFJFHSA-N 2 2 398.547 3.985 20 0 GHADLP Cn1cc(CCC[N@H+](CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)cn1 ZINC001474506180 1074437951 /nfs/dbraw/zinc/43/79/51/1074437951.db2.gz NYLHZHWNYIMHSW-UHFFFAOYSA-N 2 2 389.906 3.934 20 0 GHADLP Cn1cc(CCC[N@@H+](CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)cn1 ZINC001474506180 1074437954 /nfs/dbraw/zinc/43/79/54/1074437954.db2.gz NYLHZHWNYIMHSW-UHFFFAOYSA-N 2 2 389.906 3.934 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001654630322 1126253940 /nfs/dbraw/zinc/25/39/40/1126253940.db2.gz VHNLFVVSZJTNKO-PMACEKPBSA-N 2 2 389.421 3.805 20 0 GHADLP c1cn(C2CC[NH+](Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)CC2)c[nH+]1 ZINC000738423145 598621045 /nfs/dbraw/zinc/62/10/45/598621045.db2.gz OGJOJIGHSOGAMP-UHFFFAOYSA-N 2 2 385.475 3.567 20 0 GHADLP Cc1[nH+]c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)cc2[nH]ccc21 ZINC001164673393 719519951 /nfs/dbraw/zinc/51/99/51/719519951.db2.gz RPRFEQXEHMOAPJ-UHFFFAOYSA-N 2 2 394.494 3.882 20 0 GHADLP Cc1[nH+]c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)cc2[nH]ccc21 ZINC001164673393 719519959 /nfs/dbraw/zinc/51/99/59/719519959.db2.gz RPRFEQXEHMOAPJ-UHFFFAOYSA-N 2 2 394.494 3.882 20 0 GHADLP Cc1nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001164773814 721185329 /nfs/dbraw/zinc/18/53/29/721185329.db2.gz XEYCLYDTIGUTJE-LEWJYISDSA-N 2 2 394.567 3.525 20 0 GHADLP Cc1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001164773814 721185331 /nfs/dbraw/zinc/18/53/31/721185331.db2.gz XEYCLYDTIGUTJE-LEWJYISDSA-N 2 2 394.567 3.525 20 0 GHADLP COc1cc(C)c[nH+]c1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906605 721717289 /nfs/dbraw/zinc/71/72/89/721717289.db2.gz NEBLAQWDXVKSNT-HXUWFJFHSA-N 2 2 388.462 3.531 20 0 GHADLP COc1cc(C)c[nH+]c1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906605 721717291 /nfs/dbraw/zinc/71/72/91/721717291.db2.gz NEBLAQWDXVKSNT-HXUWFJFHSA-N 2 2 388.462 3.531 20 0 GHADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000431775810 837449010 /nfs/dbraw/zinc/44/90/10/837449010.db2.gz ZFWRXICQEBAQLU-FCHUYYIVSA-N 2 2 397.567 3.631 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]CCCn2cc[nH+]c2)cs1)c1cccc(Cl)c1 ZINC000589034248 837517706 /nfs/dbraw/zinc/51/77/06/837517706.db2.gz GDBVYZGNCQRGTO-UHFFFAOYSA-N 2 2 389.912 3.858 20 0 GHADLP CCN(CC)[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Cl ZINC000655684324 837666576 /nfs/dbraw/zinc/66/65/76/837666576.db2.gz OAAVVVXGFPAUHB-UGKGYDQZSA-N 2 2 394.003 3.956 20 0 GHADLP COc1cc2c(cc1C[NH2+]C1CC[NH+](CCc3ccccc3)CC1)O[C@@H](C)C2 ZINC000030909957 837692159 /nfs/dbraw/zinc/69/21/59/837692159.db2.gz QUGVOWRRIRZBHF-SFHVURJKSA-N 2 2 380.532 3.815 20 0 GHADLP CC(C)C[C@H](C)Oc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccn1 ZINC000655712869 837706713 /nfs/dbraw/zinc/70/67/13/837706713.db2.gz XNQFYBUAYRCCFN-GHTZIAJQSA-N 2 2 375.557 3.628 20 0 GHADLP CC(C)C[C@H](C)Oc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccn1 ZINC000655712871 837707122 /nfs/dbraw/zinc/70/71/22/837707122.db2.gz XNQFYBUAYRCCFN-RXVVDRJESA-N 2 2 375.557 3.628 20 0 GHADLP COc1cccc(C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000655733179 837769408 /nfs/dbraw/zinc/76/94/08/837769408.db2.gz JXYROQOZQHMKPP-UPVQGACJSA-N 2 2 380.532 3.822 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000173594584 837777084 /nfs/dbraw/zinc/77/70/84/837777084.db2.gz HFWYIGLTNUCCGC-OKZBNKHCSA-N 2 2 377.960 3.714 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000173594584 837777096 /nfs/dbraw/zinc/77/70/96/837777096.db2.gz HFWYIGLTNUCCGC-OKZBNKHCSA-N 2 2 377.960 3.714 20 0 GHADLP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471127313 834823981 /nfs/dbraw/zinc/82/39/81/834823981.db2.gz LNBRXTSAXFPNAQ-NYVOZVTQSA-N 2 2 397.588 3.584 20 0 GHADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(F)c(I)c1 ZINC000583853937 835151245 /nfs/dbraw/zinc/15/12/45/835151245.db2.gz ATAVGHDVQOMSJZ-GFCCVEGCSA-N 2 2 387.240 3.758 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000685651266 835265654 /nfs/dbraw/zinc/26/56/54/835265654.db2.gz TVMVLXXSFVFMGI-QGZVFWFLSA-N 2 2 377.492 3.888 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000685651266 835265658 /nfs/dbraw/zinc/26/56/58/835265658.db2.gz TVMVLXXSFVFMGI-QGZVFWFLSA-N 2 2 377.492 3.888 20 0 GHADLP CC(C)c1ncsc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000410686195 844048352 /nfs/dbraw/zinc/04/83/52/844048352.db2.gz GGCISJKLDWRPCN-MSOLQXFVSA-N 2 2 392.613 3.676 20 0 GHADLP CC(C)c1ncsc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410686195 844048358 /nfs/dbraw/zinc/04/83/58/844048358.db2.gz GGCISJKLDWRPCN-MSOLQXFVSA-N 2 2 392.613 3.676 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000584014997 835433625 /nfs/dbraw/zinc/43/36/25/835433625.db2.gz LFRIHFVDHGVILF-RBUKOAKNSA-N 2 2 380.536 3.742 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCCO2 ZINC000658296012 835559667 /nfs/dbraw/zinc/55/96/67/835559667.db2.gz XHCKUZYZJHDPNE-SJLPKXTDSA-N 2 2 395.341 3.506 20 0 GHADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000655353574 835578978 /nfs/dbraw/zinc/57/89/78/835578978.db2.gz UOSPIMDGVCJFCV-HMXCVIKNSA-N 2 2 384.568 3.626 20 0 GHADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000655353574 835578990 /nfs/dbraw/zinc/57/89/90/835578990.db2.gz UOSPIMDGVCJFCV-HMXCVIKNSA-N 2 2 384.568 3.626 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000151829797 835888815 /nfs/dbraw/zinc/88/88/15/835888815.db2.gz PGIXUWRGKHOJAY-WIYYLYMNSA-N 2 2 383.540 3.518 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000471229950 836050861 /nfs/dbraw/zinc/05/08/61/836050861.db2.gz INHAWPFZEMPCGR-OYDLWJJNSA-N 2 2 393.575 3.749 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000471229950 836050871 /nfs/dbraw/zinc/05/08/71/836050871.db2.gz INHAWPFZEMPCGR-OYDLWJJNSA-N 2 2 393.575 3.749 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000471229950 836050883 /nfs/dbraw/zinc/05/08/83/836050883.db2.gz INHAWPFZEMPCGR-OYDLWJJNSA-N 2 2 393.575 3.749 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000471229950 836050895 /nfs/dbraw/zinc/05/08/95/836050895.db2.gz INHAWPFZEMPCGR-OYDLWJJNSA-N 2 2 393.575 3.749 20 0 GHADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000535665705 844137227 /nfs/dbraw/zinc/13/72/27/844137227.db2.gz ZXACVXFGKJGDIC-QGZVFWFLSA-N 2 2 381.307 3.992 20 0 GHADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000535665705 844137230 /nfs/dbraw/zinc/13/72/30/844137230.db2.gz ZXACVXFGKJGDIC-QGZVFWFLSA-N 2 2 381.307 3.992 20 0 GHADLP CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173604888 836221853 /nfs/dbraw/zinc/22/18/53/836221853.db2.gz NCBDQHZIOXIZBX-NFBKMPQASA-N 2 2 399.579 3.557 20 0 GHADLP CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173604888 836221858 /nfs/dbraw/zinc/22/18/58/836221858.db2.gz NCBDQHZIOXIZBX-NFBKMPQASA-N 2 2 399.579 3.557 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3ccc(C[NH+]4CCC(C)CC4)cc3)[nH+]c12 ZINC000116496674 836240111 /nfs/dbraw/zinc/24/01/11/836240111.db2.gz MNILWCWOUNFJBT-UHFFFAOYSA-N 2 2 390.531 3.734 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)[N@@H+]1CCc2ccccc2C1 ZINC000110064574 844191950 /nfs/dbraw/zinc/19/19/50/844191950.db2.gz GIVMKQZLWINKIF-GOSISDBHSA-N 2 2 395.572 3.621 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)[N@H+]1CCc2ccccc2C1 ZINC000110064574 844191958 /nfs/dbraw/zinc/19/19/58/844191958.db2.gz GIVMKQZLWINKIF-GOSISDBHSA-N 2 2 395.572 3.621 20 0 GHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000093742015 844192550 /nfs/dbraw/zinc/19/25/50/844192550.db2.gz GSCWFJKOHZEFRC-IBGZPJMESA-N 2 2 383.536 3.833 20 0 GHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000093742015 844192559 /nfs/dbraw/zinc/19/25/59/844192559.db2.gz GSCWFJKOHZEFRC-IBGZPJMESA-N 2 2 383.536 3.833 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000093742015 844192569 /nfs/dbraw/zinc/19/25/69/844192569.db2.gz GSCWFJKOHZEFRC-IBGZPJMESA-N 2 2 383.536 3.833 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000093742015 844192574 /nfs/dbraw/zinc/19/25/74/844192574.db2.gz GSCWFJKOHZEFRC-IBGZPJMESA-N 2 2 383.536 3.833 20 0 GHADLP Fc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)ccc1-n1ccnc1 ZINC000119503414 836879552 /nfs/dbraw/zinc/87/95/52/836879552.db2.gz MMYLFKIMMVTGGS-UHFFFAOYSA-N 2 2 378.495 3.808 20 0 GHADLP C[C@@H]1C[C@@H](C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCO1 ZINC000510933523 844213644 /nfs/dbraw/zinc/21/36/44/844213644.db2.gz DMRKWOISRYDHHG-CABCVRRESA-N 2 2 382.302 3.556 20 0 GHADLP C[C@@H]1C[C@@H](C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCO1 ZINC000510933523 844213649 /nfs/dbraw/zinc/21/36/49/844213649.db2.gz DMRKWOISRYDHHG-CABCVRRESA-N 2 2 382.302 3.556 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000510307703 838347368 /nfs/dbraw/zinc/34/73/68/838347368.db2.gz NTROCJSDAUERQZ-UHFFFAOYSA-N 2 2 388.515 3.747 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)CC1 ZINC000185929323 838951805 /nfs/dbraw/zinc/95/18/05/838951805.db2.gz BNRXPDHCVJVKMB-IIBYNOLFSA-N 2 2 385.939 3.552 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cncc(Br)c1 ZINC000580217242 839064927 /nfs/dbraw/zinc/06/49/27/839064927.db2.gz XIXVLWDAVVXOEM-HNNXBMFYSA-N 2 2 390.325 3.527 20 0 GHADLP NC1(C[NH2+]Cc2nc(-c3ccccc3)cs2)CC[NH+](Cc2ccccc2)CC1 ZINC000415126984 839237042 /nfs/dbraw/zinc/23/70/42/839237042.db2.gz HMXKOQMVZOWPPE-UHFFFAOYSA-N 2 2 392.572 3.893 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1nccc1-c1ccncc1 ZINC000173513129 839412213 /nfs/dbraw/zinc/41/22/13/839412213.db2.gz TXSZXLSEHRPAID-UHFFFAOYSA-N 2 2 376.508 3.536 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1nccc1-c1ccncc1 ZINC000173513129 839412225 /nfs/dbraw/zinc/41/22/25/839412225.db2.gz TXSZXLSEHRPAID-UHFFFAOYSA-N 2 2 376.508 3.536 20 0 GHADLP COc1ccccc1[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)N(C)C ZINC000153299894 839536129 /nfs/dbraw/zinc/53/61/29/839536129.db2.gz NLXOGYKLTINXLR-HSZRJFAPSA-N 2 2 399.554 3.734 20 0 GHADLP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(C2CC2)cc1 ZINC000416732953 839572574 /nfs/dbraw/zinc/57/25/74/839572574.db2.gz NDJCEVXSFOBMHS-IBGZPJMESA-N 2 2 398.595 3.875 20 0 GHADLP CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)[NH+]1CCCCC1 ZINC000580463005 839598856 /nfs/dbraw/zinc/59/88/56/839598856.db2.gz YPPBCIPABZDEOA-IRLDBZIGSA-N 2 2 383.536 3.737 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1oc2ccccc2c1Br ZINC000656262795 839914970 /nfs/dbraw/zinc/91/49/70/839914970.db2.gz ZKPYAEYDKWVVTA-UHFFFAOYSA-N 2 2 394.357 3.653 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1oc2ccccc2c1Br ZINC000656262795 839914973 /nfs/dbraw/zinc/91/49/73/839914973.db2.gz ZKPYAEYDKWVVTA-UHFFFAOYSA-N 2 2 394.357 3.653 20 0 GHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000580644128 839950549 /nfs/dbraw/zinc/95/05/49/839950549.db2.gz MCKGHTWRXMCYSD-OAQYLSRUSA-N 2 2 387.474 3.513 20 0 GHADLP O=c1nc(C[NH+]2CCC3(CC[NH2+]C3)CC2)[nH]c2sc(-c3ccccc3)cc21 ZINC000580773371 840161311 /nfs/dbraw/zinc/16/13/11/840161311.db2.gz AJZXMZGNXKLPOP-UHFFFAOYSA-N 2 2 380.517 3.639 20 0 GHADLP COc1ccc(Br)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535809080 844512438 /nfs/dbraw/zinc/51/24/38/844512438.db2.gz FGZSBGBAZDSORY-LIRRHRJNSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535809080 844512450 /nfs/dbraw/zinc/51/24/50/844512450.db2.gz FGZSBGBAZDSORY-LIRRHRJNSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000535809080 844512455 /nfs/dbraw/zinc/51/24/55/844512455.db2.gz FGZSBGBAZDSORY-LIRRHRJNSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000535809080 844512461 /nfs/dbraw/zinc/51/24/61/844512461.db2.gz FGZSBGBAZDSORY-LIRRHRJNSA-N 2 2 379.342 3.906 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc2ccccc2c1 ZINC000364403273 840222147 /nfs/dbraw/zinc/22/21/47/840222147.db2.gz ABKCTKGXUSLIBR-FDDCHVKYSA-N 2 2 379.548 3.570 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc2ccccc2c1 ZINC000364403273 840222158 /nfs/dbraw/zinc/22/21/58/840222158.db2.gz ABKCTKGXUSLIBR-FDDCHVKYSA-N 2 2 379.548 3.570 20 0 GHADLP FC(F)SCc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)o1 ZINC000061556625 840423904 /nfs/dbraw/zinc/42/39/04/840423904.db2.gz IPQDPYKEUJVYEQ-UHFFFAOYSA-N 2 2 382.476 3.857 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000563060838 840567729 /nfs/dbraw/zinc/56/77/29/840567729.db2.gz GYVPWHRTXCJWPB-VFNWGFHPSA-N 2 2 387.474 3.513 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000563060838 840567736 /nfs/dbraw/zinc/56/77/36/840567736.db2.gz GYVPWHRTXCJWPB-VFNWGFHPSA-N 2 2 387.474 3.513 20 0 GHADLP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000261725401 840665001 /nfs/dbraw/zinc/66/50/01/840665001.db2.gz MLEGWQHHRKBSSH-UHFFFAOYSA-N 2 2 378.731 3.907 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](C(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000510381498 841049495 /nfs/dbraw/zinc/04/94/95/841049495.db2.gz YKDAEYKFZZPDKS-GOSISDBHSA-N 2 2 385.474 3.641 20 0 GHADLP COc1ncc(Br)cc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660255296 841082129 /nfs/dbraw/zinc/08/21/29/841082129.db2.gz AJTJEHVFLWIZEJ-ZIAGYGMSSA-N 2 2 382.346 3.595 20 0 GHADLP COc1ncc(Br)cc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660255296 841082141 /nfs/dbraw/zinc/08/21/41/841082141.db2.gz AJTJEHVFLWIZEJ-ZIAGYGMSSA-N 2 2 382.346 3.595 20 0 GHADLP COc1ccc([C@H](C)[C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1OC ZINC000474870759 861222723 /nfs/dbraw/zinc/22/27/23/861222723.db2.gz SDQTVWADQNMONK-HLIPFELVSA-N 2 2 398.551 3.843 20 0 GHADLP CCC(CC)[C@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[NH+]1CCCC1 ZINC000500220228 841675763 /nfs/dbraw/zinc/67/57/63/841675763.db2.gz NREBZTMOQPVQHM-QFIPXVFZSA-N 2 2 397.567 3.631 20 0 GHADLP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673656181 861227771 /nfs/dbraw/zinc/22/77/71/861227771.db2.gz SYSIQEUXHJCKHG-UHFFFAOYSA-N 2 2 397.482 3.908 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cccc(F)c3OC(F)F)[nH+]c2)CC1 ZINC000656770726 841907878 /nfs/dbraw/zinc/90/78/78/841907878.db2.gz NXOJYAWXZWDTTE-UHFFFAOYSA-N 2 2 394.441 3.965 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cc(C)c3ncccc3c2)cc1F ZINC000656790179 841924355 /nfs/dbraw/zinc/92/43/55/841924355.db2.gz OGJBPDHEPZEBDP-FPOVZHCZSA-N 2 2 379.479 3.926 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000432243545 842352084 /nfs/dbraw/zinc/35/20/84/842352084.db2.gz WIXMJTTUBFXLCP-LJQANCHMSA-N 2 2 383.294 3.859 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000432243545 842352095 /nfs/dbraw/zinc/35/20/95/842352095.db2.gz WIXMJTTUBFXLCP-LJQANCHMSA-N 2 2 383.294 3.859 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1(c2ccccc2)CC[NH2+]CC1 ZINC000648164940 842707705 /nfs/dbraw/zinc/70/77/05/842707705.db2.gz JSQQDUHMWGEVTA-UHFFFAOYSA-N 2 2 398.510 3.862 20 0 GHADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481417129 861339534 /nfs/dbraw/zinc/33/95/34/861339534.db2.gz QPAMCCHMLDNUSF-HOYKHHGWSA-N 2 2 398.522 3.950 20 0 GHADLP CN(C)C(=O)[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000663305633 843065493 /nfs/dbraw/zinc/06/54/93/843065493.db2.gz AEHJHBOXVMHVPT-XZOQPEGZSA-N 2 2 391.559 3.708 20 0 GHADLP CN(C)C(=O)[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000663305633 843065508 /nfs/dbraw/zinc/06/55/08/843065508.db2.gz AEHJHBOXVMHVPT-XZOQPEGZSA-N 2 2 391.559 3.708 20 0 GHADLP COCCOc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1OC ZINC000512212218 843107044 /nfs/dbraw/zinc/10/70/44/843107044.db2.gz KRLOLCNWUJAQPK-CTNGQTDRSA-N 2 2 390.568 3.807 20 0 GHADLP COCCOc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1OC ZINC000512212218 843107050 /nfs/dbraw/zinc/10/70/50/843107050.db2.gz KRLOLCNWUJAQPK-CTNGQTDRSA-N 2 2 390.568 3.807 20 0 GHADLP COCCOc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1OC ZINC000512212218 843107056 /nfs/dbraw/zinc/10/70/56/843107056.db2.gz KRLOLCNWUJAQPK-CTNGQTDRSA-N 2 2 390.568 3.807 20 0 GHADLP COCCOc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1OC ZINC000512212218 843107062 /nfs/dbraw/zinc/10/70/62/843107062.db2.gz KRLOLCNWUJAQPK-CTNGQTDRSA-N 2 2 390.568 3.807 20 0 GHADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)N(C1CC1)C1CCCC1 ZINC000512253977 843231754 /nfs/dbraw/zinc/23/17/54/843231754.db2.gz SJJAZKXLJDQHFT-XMMPIXPASA-N 2 2 381.564 3.518 20 0 GHADLP O=C(C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)N(C1CC1)C1CCCC1 ZINC000512253977 843231778 /nfs/dbraw/zinc/23/17/78/843231778.db2.gz SJJAZKXLJDQHFT-XMMPIXPASA-N 2 2 381.564 3.518 20 0 GHADLP O=C(C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N(C1CC1)C1CCCC1 ZINC000512253977 843231794 /nfs/dbraw/zinc/23/17/94/843231794.db2.gz SJJAZKXLJDQHFT-XMMPIXPASA-N 2 2 381.564 3.518 20 0 GHADLP O=C(C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N(C1CC1)C1CCCC1 ZINC000512253977 843231811 /nfs/dbraw/zinc/23/18/11/843231811.db2.gz SJJAZKXLJDQHFT-XMMPIXPASA-N 2 2 381.564 3.518 20 0 GHADLP CN(C(=O)Nc1cc(Cl)ccn1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000500441665 843397600 /nfs/dbraw/zinc/39/76/00/843397600.db2.gz PMIALRZSMGGJOO-MSOLQXFVSA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1cc(Cl)ccn1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000500441665 843397612 /nfs/dbraw/zinc/39/76/12/843397612.db2.gz PMIALRZSMGGJOO-MSOLQXFVSA-N 2 2 393.963 3.536 20 0 GHADLP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000431033881 843477424 /nfs/dbraw/zinc/47/74/24/843477424.db2.gz SBPBYLJLLQRVAI-UHFFFAOYSA-N 2 2 376.715 3.661 20 0 GHADLP [NH3+][C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(F)cc1F ZINC000662664357 843502456 /nfs/dbraw/zinc/50/24/56/843502456.db2.gz SBQVOFXKTFTPSU-OALUTQOASA-N 2 2 393.865 3.571 20 0 GHADLP COc1ccc2c(c1)C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H](C1CCCCC1)C2 ZINC000431089565 843584729 /nfs/dbraw/zinc/58/47/29/843584729.db2.gz HCZINVWDXWNPML-LJQANCHMSA-N 2 2 384.524 3.779 20 0 GHADLP COc1ccc2c(c1)C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H](C1CCCCC1)C2 ZINC000431089565 843584735 /nfs/dbraw/zinc/58/47/35/843584735.db2.gz HCZINVWDXWNPML-LJQANCHMSA-N 2 2 384.524 3.779 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[C@@H](c2ccccc2)C1 ZINC000512904581 843956395 /nfs/dbraw/zinc/95/63/95/843956395.db2.gz XIQLBJGCFPRHDD-JKRRVEJZSA-N 2 2 383.580 3.632 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[C@@H](c2ccccc2)C1 ZINC000512904581 843956398 /nfs/dbraw/zinc/95/63/98/843956398.db2.gz XIQLBJGCFPRHDD-JKRRVEJZSA-N 2 2 383.580 3.632 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CCC2 ZINC000512624308 844818216 /nfs/dbraw/zinc/81/82/16/844818216.db2.gz ICEKSZASGGVYNB-WBADGQHESA-N 3 2 378.564 3.959 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CCC2 ZINC000512624308 844818219 /nfs/dbraw/zinc/81/82/19/844818219.db2.gz ICEKSZASGGVYNB-WBADGQHESA-N 3 2 378.564 3.959 20 0 GHADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)ccc1F ZINC000512657970 844927701 /nfs/dbraw/zinc/92/77/01/844927701.db2.gz LXFDUFCEPACULO-NRFANRHFSA-N 2 2 382.527 3.563 20 0 GHADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)ccc1F ZINC000512657970 844927707 /nfs/dbraw/zinc/92/77/07/844927707.db2.gz LXFDUFCEPACULO-NRFANRHFSA-N 2 2 382.527 3.563 20 0 GHADLP CN(C(=O)Nc1cccc2cc[nH]c21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000548506877 845070451 /nfs/dbraw/zinc/07/04/51/845070451.db2.gz HBZPVIZCMRGJRI-SFTDATJTSA-N 2 2 397.567 3.969 20 0 GHADLP CN(C(=O)Nc1cccc2cc[nH]c21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000548506877 845070466 /nfs/dbraw/zinc/07/04/66/845070466.db2.gz HBZPVIZCMRGJRI-SFTDATJTSA-N 2 2 397.567 3.969 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cccc3cccnc32)[C@@H]1c1cnn(C)c1 ZINC000434017655 845732888 /nfs/dbraw/zinc/73/28/88/845732888.db2.gz SDHVSVIEPRZJRI-NZQKXSOJSA-N 2 2 377.536 3.873 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cccc3cccnc32)[C@@H]1c1cnn(C)c1 ZINC000434017655 845732895 /nfs/dbraw/zinc/73/28/95/845732895.db2.gz SDHVSVIEPRZJRI-NZQKXSOJSA-N 2 2 377.536 3.873 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cccc3cccnc32)[C@@H]1c1cnn(C)c1 ZINC000434017655 845732900 /nfs/dbraw/zinc/73/29/00/845732900.db2.gz SDHVSVIEPRZJRI-NZQKXSOJSA-N 2 2 377.536 3.873 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cccc3cccnc32)[C@@H]1c1cnn(C)c1 ZINC000434017655 845732908 /nfs/dbraw/zinc/73/29/08/845732908.db2.gz SDHVSVIEPRZJRI-NZQKXSOJSA-N 2 2 377.536 3.873 20 0 GHADLP Fc1ccc(OC(F)F)c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000657315479 846135129 /nfs/dbraw/zinc/13/51/29/846135129.db2.gz UWBGYYMPRYOISS-UHFFFAOYSA-N 2 2 380.410 3.549 20 0 GHADLP Cc1nc2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2o1 ZINC000279997775 846262193 /nfs/dbraw/zinc/26/21/93/846262193.db2.gz KWFQRFJNCPNWEV-NHCUHLMSSA-N 2 2 398.551 3.545 20 0 GHADLP Cc1nc2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2o1 ZINC000279997775 846262203 /nfs/dbraw/zinc/26/22/03/846262203.db2.gz KWFQRFJNCPNWEV-NHCUHLMSSA-N 2 2 398.551 3.545 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000280060214 846275347 /nfs/dbraw/zinc/27/53/47/846275347.db2.gz KFIWRIRNUPIVIC-CQSZACIVSA-N 2 2 375.519 3.578 20 0 GHADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCO2 ZINC000760015737 846326680 /nfs/dbraw/zinc/32/66/80/846326680.db2.gz GXTQOCACKHAXIN-PKTZIBPZSA-N 2 2 380.532 3.953 20 0 GHADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCO2 ZINC000760015737 846326695 /nfs/dbraw/zinc/32/66/95/846326695.db2.gz GXTQOCACKHAXIN-PKTZIBPZSA-N 2 2 380.532 3.953 20 0 GHADLP c1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657359898 846508678 /nfs/dbraw/zinc/50/86/78/846508678.db2.gz RBKKFZMBZVPKFE-UHFFFAOYSA-N 3 2 375.520 3.933 20 0 GHADLP Cc1ccccc1Cc1nc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000501042997 846566123 /nfs/dbraw/zinc/56/61/23/846566123.db2.gz BBDABTQSHGLWIW-UHFFFAOYSA-N 2 2 391.519 3.712 20 0 GHADLP Cc1ccccc1Cc1nc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000501042997 846566131 /nfs/dbraw/zinc/56/61/31/846566131.db2.gz BBDABTQSHGLWIW-UHFFFAOYSA-N 2 2 391.519 3.712 20 0 GHADLP CCc1c(C(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)[nH]c(C)c1C(C)=O ZINC000501043801 846566979 /nfs/dbraw/zinc/56/69/79/846566979.db2.gz GMYHODAWMDGBBU-UHFFFAOYSA-N 2 2 396.535 3.514 20 0 GHADLP CCc1c(C(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)[nH]c(C)c1C(C)=O ZINC000501043801 846566983 /nfs/dbraw/zinc/56/69/83/846566983.db2.gz GMYHODAWMDGBBU-UHFFFAOYSA-N 2 2 396.535 3.514 20 0 GHADLP C[C@@H](C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1cccc(Br)c1 ZINC000093148093 846614289 /nfs/dbraw/zinc/61/42/89/846614289.db2.gz XZCGXDYWRPSSKI-PXNSSMCTSA-N 2 2 394.401 3.655 20 0 GHADLP C[C@@H](C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1cccc(Br)c1 ZINC000093148093 846614293 /nfs/dbraw/zinc/61/42/93/846614293.db2.gz XZCGXDYWRPSSKI-PXNSSMCTSA-N 2 2 394.401 3.655 20 0 GHADLP COc1ccc([C@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)C2CC2)c(F)c1 ZINC000421838329 846630442 /nfs/dbraw/zinc/63/04/42/846630442.db2.gz UKDMEAAVVGOKQX-VGOFRKELSA-N 2 2 384.499 3.933 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(SC(C)C)cc3)CC2)CC1 ZINC000422007153 846745915 /nfs/dbraw/zinc/74/59/15/846745915.db2.gz MYIUCTULQDWEPF-UHFFFAOYSA-N 2 2 389.609 3.819 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(SC(C)C)cc3)CC2)CC1 ZINC000422007153 846745922 /nfs/dbraw/zinc/74/59/22/846745922.db2.gz MYIUCTULQDWEPF-UHFFFAOYSA-N 2 2 389.609 3.819 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000422008880 846747620 /nfs/dbraw/zinc/74/76/20/846747620.db2.gz QJOXVWYVAIXZSN-UHFFFAOYSA-N 2 2 398.378 3.555 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000422008880 846747626 /nfs/dbraw/zinc/74/76/26/846747626.db2.gz QJOXVWYVAIXZSN-UHFFFAOYSA-N 2 2 398.378 3.555 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2cccc3ccsc32)([NH+]2CCCCC2)CC1 ZINC000501234541 846763695 /nfs/dbraw/zinc/76/36/95/846763695.db2.gz KKHIWRZJJLYGHS-UHFFFAOYSA-N 2 2 386.565 3.973 20 0 GHADLP Cc1cc(CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc(C)[nH+]1 ZINC000422190418 846894144 /nfs/dbraw/zinc/89/41/44/846894144.db2.gz WLRPVBNLSWGOCI-SFHVURJKSA-N 2 2 394.441 3.819 20 0 GHADLP c1cncc([C@@H]2CCC[C@H]([NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)c1 ZINC000501473125 846944689 /nfs/dbraw/zinc/94/46/89/846944689.db2.gz BJBYKMZGSQMFGF-GGAORHGYSA-N 2 2 395.547 3.609 20 0 GHADLP Cc1cscc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000272056976 846980811 /nfs/dbraw/zinc/98/08/11/846980811.db2.gz RKTQQQJYTMXOFK-RTBURBONSA-N 2 2 378.586 3.857 20 0 GHADLP Cc1cscc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000272056976 846980815 /nfs/dbraw/zinc/98/08/15/846980815.db2.gz RKTQQQJYTMXOFK-RTBURBONSA-N 2 2 378.586 3.857 20 0 GHADLP C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272420643 847073017 /nfs/dbraw/zinc/07/30/17/847073017.db2.gz GLSSSUMVDZRFME-AUSIDOKSSA-N 2 2 388.515 3.572 20 0 GHADLP C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272420643 847073026 /nfs/dbraw/zinc/07/30/26/847073026.db2.gz GLSSSUMVDZRFME-AUSIDOKSSA-N 2 2 388.515 3.572 20 0 GHADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000420311399 847109424 /nfs/dbraw/zinc/10/94/24/847109424.db2.gz VUMRDWZQIQUZPY-FXAWDEMLSA-N 2 2 394.437 3.830 20 0 GHADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000420311399 847109429 /nfs/dbraw/zinc/10/94/29/847109429.db2.gz VUMRDWZQIQUZPY-FXAWDEMLSA-N 2 2 394.437 3.830 20 0 GHADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(Br)c1 ZINC000420339441 847118827 /nfs/dbraw/zinc/11/88/27/847118827.db2.gz LSJAPLWMQYLLIA-PBHICJAKSA-N 2 2 394.357 3.549 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000272905246 847204829 /nfs/dbraw/zinc/20/48/29/847204829.db2.gz VXKUULJTUDQMPR-FQEVSTJZSA-N 2 2 384.524 3.811 20 0 GHADLP CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3c(C)c(C)[nH+]c4ccccc43)CC2)n1 ZINC000273296819 847297760 /nfs/dbraw/zinc/29/77/60/847297760.db2.gz GMPVFZLWZRYMAY-QGZVFWFLSA-N 2 2 395.507 3.654 20 0 GHADLP CO[C@H](C)c1noc(C[N@H+]2CCCN(c3c(C)c(C)[nH+]c4ccccc43)CC2)n1 ZINC000273296819 847297771 /nfs/dbraw/zinc/29/77/71/847297771.db2.gz GMPVFZLWZRYMAY-QGZVFWFLSA-N 2 2 395.507 3.654 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)c3ccc(C4CC4)cc3)CC2)CC1 ZINC000422197816 847463708 /nfs/dbraw/zinc/46/37/08/847463708.db2.gz BMNCRSFXEJOCMO-IBGZPJMESA-N 2 2 398.595 3.827 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)c3ccc(C4CC4)cc3)CC2)CC1 ZINC000422197816 847463712 /nfs/dbraw/zinc/46/37/12/847463712.db2.gz BMNCRSFXEJOCMO-IBGZPJMESA-N 2 2 398.595 3.827 20 0 GHADLP COc1ccccc1[C@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)[NH+]1CCCCC1 ZINC000420911744 847530855 /nfs/dbraw/zinc/53/08/55/847530855.db2.gz HLSGFRLRROMVKK-NRFANRHFSA-N 2 2 396.535 3.733 20 0 GHADLP C[NH+]1CCC([N@H+]([C@H]2C[C@H]3C[C@H]3C2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001167949516 847549997 /nfs/dbraw/zinc/54/99/97/847549997.db2.gz XHIFBLQIMGOEFL-YRWFTTLQSA-N 2 2 377.573 3.581 20 0 GHADLP C[NH+]1CCC([N@@H+]([C@H]2C[C@H]3C[C@H]3C2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001167949516 847550011 /nfs/dbraw/zinc/55/00/11/847550011.db2.gz XHIFBLQIMGOEFL-YRWFTTLQSA-N 2 2 377.573 3.581 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420946954 847568022 /nfs/dbraw/zinc/56/80/22/847568022.db2.gz BRYQNHIGXLUPEZ-CDIGIKMISA-N 2 2 386.580 3.670 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420946954 847568032 /nfs/dbraw/zinc/56/80/32/847568032.db2.gz BRYQNHIGXLUPEZ-CDIGIKMISA-N 2 2 386.580 3.670 20 0 GHADLP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000503369769 847633067 /nfs/dbraw/zinc/63/30/67/847633067.db2.gz PIPPFQKYLNTPBD-INIZCTEOSA-N 2 2 394.441 3.935 20 0 GHADLP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000503369769 847633076 /nfs/dbraw/zinc/63/30/76/847633076.db2.gz PIPPFQKYLNTPBD-INIZCTEOSA-N 2 2 394.441 3.935 20 0 GHADLP Clc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCCC34CCOCC4)CC2)c1 ZINC000502243388 847634546 /nfs/dbraw/zinc/63/45/46/847634546.db2.gz WTQJRNBKUKULPP-OAQYLSRUSA-N 2 2 391.987 3.791 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(F)cc3Cl)CC2)CC1 ZINC000421035649 847636344 /nfs/dbraw/zinc/63/63/44/847636344.db2.gz MDWPLCBQSAWKDY-UHFFFAOYSA-N 2 2 382.911 3.503 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(F)cc3Cl)CC2)CC1 ZINC000421035649 847636349 /nfs/dbraw/zinc/63/63/49/847636349.db2.gz MDWPLCBQSAWKDY-UHFFFAOYSA-N 2 2 382.911 3.503 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(Cl)cc3F)CC2)CC1 ZINC000421035650 847636370 /nfs/dbraw/zinc/63/63/70/847636370.db2.gz MEISFJOYSYUSHG-UHFFFAOYSA-N 2 2 382.911 3.503 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(Cl)cc3F)CC2)CC1 ZINC000421035650 847636375 /nfs/dbraw/zinc/63/63/75/847636375.db2.gz MEISFJOYSYUSHG-UHFFFAOYSA-N 2 2 382.911 3.503 20 0 GHADLP CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503364480 847643021 /nfs/dbraw/zinc/64/30/21/847643021.db2.gz DEJZGEUSTKKYGE-CTNGQTDRSA-N 2 2 397.563 3.962 20 0 GHADLP CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503364480 847643026 /nfs/dbraw/zinc/64/30/26/847643026.db2.gz DEJZGEUSTKKYGE-CTNGQTDRSA-N 2 2 397.563 3.962 20 0 GHADLP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503406822 847670432 /nfs/dbraw/zinc/67/04/32/847670432.db2.gz NHIBPYNNWFRLIO-QUCCMNQESA-N 2 2 392.547 3.767 20 0 GHADLP C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503406822 847670437 /nfs/dbraw/zinc/67/04/37/847670437.db2.gz NHIBPYNNWFRLIO-QUCCMNQESA-N 2 2 392.547 3.767 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000513790542 847746034 /nfs/dbraw/zinc/74/60/34/847746034.db2.gz ZJQHWQFWVVDDSC-NHCUHLMSSA-N 2 2 399.579 3.745 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000513790542 847746041 /nfs/dbraw/zinc/74/60/41/847746041.db2.gz ZJQHWQFWVVDDSC-NHCUHLMSSA-N 2 2 399.579 3.745 20 0 GHADLP CCCOc1ccc(Oc2ncccc2C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000422697967 847772253 /nfs/dbraw/zinc/77/22/53/847772253.db2.gz WZMMVXYIQDDOFV-MJGOQNOKSA-N 2 2 385.508 3.519 20 0 GHADLP c1ccc([C@@H]2CCc3nc(C[NH2+][C@@H]4CCOC[C@H]4[C@@H]4CCC[NH2+]4)sc3C2)cc1 ZINC000423049583 847965180 /nfs/dbraw/zinc/96/51/80/847965180.db2.gz KHRQEALXPHAZDR-FUMNGEBKSA-N 2 2 397.588 3.662 20 0 GHADLP OC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1c(Cl)cccc1Cl ZINC000423092467 847975344 /nfs/dbraw/zinc/97/53/44/847975344.db2.gz BYZNIZNSGDTVGS-ZWOKBUDYSA-N 2 2 393.314 3.872 20 0 GHADLP Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192355147 861926358 /nfs/dbraw/zinc/92/63/58/861926358.db2.gz CFVUXQQYVKPEKA-JOCHJYFZSA-N 2 2 394.494 3.597 20 0 GHADLP Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192355147 861926366 /nfs/dbraw/zinc/92/63/66/861926366.db2.gz CFVUXQQYVKPEKA-JOCHJYFZSA-N 2 2 394.494 3.597 20 0 GHADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1NC(C)=O ZINC000153669847 848886981 /nfs/dbraw/zinc/88/69/81/848886981.db2.gz GUFLBLRUYISRFQ-AWEZNQCLSA-N 2 2 382.439 3.829 20 0 GHADLP C[C@H]1C[C@H](N(C)C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000583292819 849559784 /nfs/dbraw/zinc/55/97/84/849559784.db2.gz FGWIFFWKXFEJPL-FXAWDEMLSA-N 2 2 377.492 3.851 20 0 GHADLP C[C@H]1C[C@H](N(C)C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000583292819 849559793 /nfs/dbraw/zinc/55/97/93/849559793.db2.gz FGWIFFWKXFEJPL-FXAWDEMLSA-N 2 2 377.492 3.851 20 0 GHADLP CC(C)CC[NH+]1CCC(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425179564 849746023 /nfs/dbraw/zinc/74/60/23/849746023.db2.gz PXMGQDRRHJGJKX-NRFANRHFSA-N 2 2 382.552 3.806 20 0 GHADLP C[C@H](CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000425179037 849749546 /nfs/dbraw/zinc/74/95/46/849749546.db2.gz SYQBVQNAYRJZET-WIYYLYMNSA-N 2 2 376.504 3.568 20 0 GHADLP C[C@H](CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000425179037 849749552 /nfs/dbraw/zinc/74/95/52/849749552.db2.gz SYQBVQNAYRJZET-WIYYLYMNSA-N 2 2 376.504 3.568 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c(Br)c1 ZINC000423192739 849798581 /nfs/dbraw/zinc/79/85/81/849798581.db2.gz VZXNIVVCZKJGST-CQSZACIVSA-N 2 2 378.314 3.683 20 0 GHADLP Brc1ccc([C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C2CC2)s1 ZINC000423229008 849818353 /nfs/dbraw/zinc/81/83/53/849818353.db2.gz GJGWKQQDPZISKJ-KRWDZBQOSA-N 2 2 393.354 3.878 20 0 GHADLP CS(=O)(=O)c1cccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccc(Cl)cc2)c1 ZINC000423365691 849886617 /nfs/dbraw/zinc/88/66/17/849886617.db2.gz PKOQOLLZZIIMQZ-UYAOXDASSA-N 2 2 392.952 3.565 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000711406753 849945180 /nfs/dbraw/zinc/94/51/80/849945180.db2.gz UVNNOJRIRUVYGU-GOSISDBHSA-N 2 2 387.549 3.712 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000711406753 849945193 /nfs/dbraw/zinc/94/51/93/849945193.db2.gz UVNNOJRIRUVYGU-GOSISDBHSA-N 2 2 387.549 3.712 20 0 GHADLP CC(C)(C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000423753801 850044274 /nfs/dbraw/zinc/04/42/74/850044274.db2.gz HJWZUKJSSIZQJU-NRFANRHFSA-N 2 2 380.536 3.804 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423837898 850070297 /nfs/dbraw/zinc/07/02/97/850070297.db2.gz XJEWCRNKLPCMMN-UFYCRDLUSA-N 2 2 387.474 3.552 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423837898 850070312 /nfs/dbraw/zinc/07/03/12/850070312.db2.gz XJEWCRNKLPCMMN-UFYCRDLUSA-N 2 2 387.474 3.552 20 0 GHADLP CC[NH+](CC)C[C@H]1CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)C1 ZINC000518832244 850200322 /nfs/dbraw/zinc/20/03/22/850200322.db2.gz AYBAQNFOOKWILK-OAHLLOKOSA-N 2 2 379.346 3.569 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)CC1 ZINC000514710831 850200180 /nfs/dbraw/zinc/20/01/80/850200180.db2.gz GEOFQFHDWDVIDX-ICSRJNTNSA-N 2 2 383.561 3.790 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccs2)CC1 ZINC000514710831 850200187 /nfs/dbraw/zinc/20/01/87/850200187.db2.gz GEOFQFHDWDVIDX-ICSRJNTNSA-N 2 2 383.561 3.790 20 0 GHADLP C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000514716757 850209078 /nfs/dbraw/zinc/20/90/78/850209078.db2.gz HCWMQPCIZZQRMQ-RTBURBONSA-N 2 2 383.511 3.724 20 0 GHADLP C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000514716757 850209083 /nfs/dbraw/zinc/20/90/83/850209083.db2.gz HCWMQPCIZZQRMQ-RTBURBONSA-N 2 2 383.511 3.724 20 0 GHADLP COc1cc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc(Cl)c1OC ZINC000435394121 850462372 /nfs/dbraw/zinc/46/23/72/850462372.db2.gz MCOKYSAQNPZEOX-SFHVURJKSA-N 2 2 389.927 3.897 20 0 GHADLP COc1cc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc(Cl)c1OC ZINC000435394121 850462376 /nfs/dbraw/zinc/46/23/76/850462376.db2.gz MCOKYSAQNPZEOX-SFHVURJKSA-N 2 2 389.927 3.897 20 0 GHADLP C[NH+](C)[C@@H]1CCOc2c(NC(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)cccc21 ZINC000514933230 850502656 /nfs/dbraw/zinc/50/26/56/850502656.db2.gz SJZUBQFADZEADI-AZUAARDMSA-N 2 2 390.487 3.956 20 0 GHADLP COC(=O)c1cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)[nH]c1C(C)C ZINC000894309122 850787579 /nfs/dbraw/zinc/78/75/79/850787579.db2.gz YICKGFPFGZQQOX-IBGZPJMESA-N 2 2 380.492 3.732 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000057609629 862191591 /nfs/dbraw/zinc/19/15/91/862191591.db2.gz RVDGQIPJMVHDPL-UHFFFAOYSA-N 2 2 398.551 3.890 20 0 GHADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC000487931948 851000856 /nfs/dbraw/zinc/00/08/56/851000856.db2.gz QNWQLWQSWUMICD-UHFFFAOYSA-N 2 2 376.504 3.849 20 0 GHADLP Cc1ccc(C(F)(F)F)c(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000667944194 862209097 /nfs/dbraw/zinc/20/90/97/862209097.db2.gz INDIHGZZZRZDKO-UHFFFAOYSA-N 2 2 386.462 3.504 20 0 GHADLP Cc1ccc(C(F)(F)F)c(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000667944194 862209108 /nfs/dbraw/zinc/20/91/08/862209108.db2.gz INDIHGZZZRZDKO-UHFFFAOYSA-N 2 2 386.462 3.504 20 0 GHADLP C[C@]1(CNC2CC[NH+](Cc3ccccn3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000187702487 851226595 /nfs/dbraw/zinc/22/65/95/851226595.db2.gz KCKKFQBVLLNFMI-XMMPIXPASA-N 2 2 378.564 3.690 20 0 GHADLP C[C@]1(CNC2CC[NH+](Cc3ccccn3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000187702487 851226599 /nfs/dbraw/zinc/22/65/99/851226599.db2.gz KCKKFQBVLLNFMI-XMMPIXPASA-N 2 2 378.564 3.690 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000515627048 851265065 /nfs/dbraw/zinc/26/50/65/851265065.db2.gz HPPAOPAHUGWZQT-XMMPIXPASA-N 3 2 387.531 3.674 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000515627048 851265075 /nfs/dbraw/zinc/26/50/75/851265075.db2.gz HPPAOPAHUGWZQT-XMMPIXPASA-N 3 2 387.531 3.674 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000515627048 851265084 /nfs/dbraw/zinc/26/50/84/851265084.db2.gz HPPAOPAHUGWZQT-XMMPIXPASA-N 3 2 387.531 3.674 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000515627048 851265095 /nfs/dbraw/zinc/26/50/95/851265095.db2.gz HPPAOPAHUGWZQT-XMMPIXPASA-N 3 2 387.531 3.674 20 0 GHADLP CCC[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000625518434 862225359 /nfs/dbraw/zinc/22/53/59/862225359.db2.gz AZEKTFVXXYDINW-ICSRJNTNSA-N 2 2 377.960 3.508 20 0 GHADLP CCC[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000625518434 862225376 /nfs/dbraw/zinc/22/53/76/862225376.db2.gz AZEKTFVXXYDINW-ICSRJNTNSA-N 2 2 377.960 3.508 20 0 GHADLP Brc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CO2 ZINC001167968941 851302035 /nfs/dbraw/zinc/30/20/35/851302035.db2.gz XGPLLHQPHZSNJW-MMNRESRNSA-N 2 2 377.326 3.878 20 0 GHADLP Brc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CO2 ZINC001167968941 851302037 /nfs/dbraw/zinc/30/20/37/851302037.db2.gz XGPLLHQPHZSNJW-MMNRESRNSA-N 2 2 377.326 3.878 20 0 GHADLP OCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccc(Br)c1 ZINC000488395259 851465290 /nfs/dbraw/zinc/46/52/90/851465290.db2.gz JACZOOVWWHWLMM-UHFFFAOYSA-N 2 2 392.322 3.691 20 0 GHADLP OCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccc(Br)c1 ZINC000488395259 851465305 /nfs/dbraw/zinc/46/53/05/851465305.db2.gz JACZOOVWWHWLMM-UHFFFAOYSA-N 2 2 392.322 3.691 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425147880 851498221 /nfs/dbraw/zinc/49/82/21/851498221.db2.gz RYEUKXSLSAUKEW-YADHBBJMSA-N 2 2 388.515 3.713 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000425147880 851498224 /nfs/dbraw/zinc/49/82/24/851498224.db2.gz RYEUKXSLSAUKEW-YADHBBJMSA-N 2 2 388.515 3.713 20 0 GHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000111243667 851580331 /nfs/dbraw/zinc/58/03/31/851580331.db2.gz NLHAZTPCFCHLPT-HSZRJFAPSA-N 2 2 380.536 3.958 20 0 GHADLP CC1(C)C[NH+](CCOCC[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)[C@H]1c1ccncc1 ZINC000664831396 851710826 /nfs/dbraw/zinc/71/08/26/851710826.db2.gz CZPFTQUEYJKBFL-VXKWHMMOSA-N 2 2 394.563 3.959 20 0 GHADLP CC1(C)C[NH+](CCOCC[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)[C@H]1c1ccncc1 ZINC000664831396 851710833 /nfs/dbraw/zinc/71/08/33/851710833.db2.gz CZPFTQUEYJKBFL-VXKWHMMOSA-N 2 2 394.563 3.959 20 0 GHADLP Cc1c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccn1C(C)C ZINC000489133008 852052689 /nfs/dbraw/zinc/05/26/89/852052689.db2.gz WFIMUNIORCXMTK-FGZHOGPDSA-N 2 2 388.600 3.787 20 0 GHADLP Cc1c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccn1C(C)C ZINC000489133008 852052701 /nfs/dbraw/zinc/05/27/01/852052701.db2.gz WFIMUNIORCXMTK-FGZHOGPDSA-N 2 2 388.600 3.787 20 0 GHADLP C[NH+](CCC[N@@H+](C)C[C@@H]1OCCc2ccccc21)C[C@@H]1OCCc2ccccc21 ZINC000517630446 852203317 /nfs/dbraw/zinc/20/33/17/852203317.db2.gz BPZIHTFGEOAYNA-DQEYMECFSA-N 2 2 394.559 3.868 20 0 GHADLP C[NH+](CCC[N@H+](C)C[C@@H]1OCCc2ccccc21)C[C@@H]1OCCc2ccccc21 ZINC000517630446 852203321 /nfs/dbraw/zinc/20/33/21/852203321.db2.gz BPZIHTFGEOAYNA-DQEYMECFSA-N 2 2 394.559 3.868 20 0 GHADLP C[C@@]1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000506264385 852525330 /nfs/dbraw/zinc/52/53/30/852525330.db2.gz OHHQVPNQUMSCSF-DEOSSOPVSA-N 2 2 388.515 3.716 20 0 GHADLP C[C@@]1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCC[N@H+]1Cc1ccccc1 ZINC000506264385 852525337 /nfs/dbraw/zinc/52/53/37/852525337.db2.gz OHHQVPNQUMSCSF-DEOSSOPVSA-N 2 2 388.515 3.716 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000490141603 852788881 /nfs/dbraw/zinc/78/88/81/852788881.db2.gz CJZBGXJVOSTBKZ-FCHUYYIVSA-N 2 2 399.966 3.962 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000490141603 852788889 /nfs/dbraw/zinc/78/88/89/852788889.db2.gz CJZBGXJVOSTBKZ-FCHUYYIVSA-N 2 2 399.966 3.962 20 0 GHADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)cc1 ZINC000414949025 852839437 /nfs/dbraw/zinc/83/94/37/852839437.db2.gz ZJVGJLKARDXVPJ-ZHRRBRCNSA-N 2 2 377.488 3.855 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CCCC1)c1ccccc1 ZINC000438834020 852943781 /nfs/dbraw/zinc/94/37/81/852943781.db2.gz QVRLGCOPLGTOAB-IHPCNDPISA-N 2 2 378.582 3.595 20 0 GHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000507513438 852991416 /nfs/dbraw/zinc/99/14/16/852991416.db2.gz RNDMHBDMQUQGNY-FNAHDJPLSA-N 3 2 392.591 3.996 20 0 GHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000507513438 852991421 /nfs/dbraw/zinc/99/14/21/852991421.db2.gz RNDMHBDMQUQGNY-FNAHDJPLSA-N 3 2 392.591 3.996 20 0 GHADLP Cc1ccccc1Nc1nc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000180940475 862418080 /nfs/dbraw/zinc/41/80/80/862418080.db2.gz OBMSMQKVUPBWSZ-UHFFFAOYSA-N 2 2 387.597 3.653 20 0 GHADLP Cc1ccccc1Nc1nc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000180940475 862418093 /nfs/dbraw/zinc/41/80/93/862418093.db2.gz OBMSMQKVUPBWSZ-UHFFFAOYSA-N 2 2 387.597 3.653 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N3[C@H](C)CCC[C@H]3C)C2)s1 ZINC000516894252 853135621 /nfs/dbraw/zinc/13/56/21/853135621.db2.gz VUPPSJZMLUYHEB-ZHALLVOQSA-N 2 2 377.598 3.600 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N3[C@H](C)CCC[C@H]3C)C2)s1 ZINC000516894252 853135627 /nfs/dbraw/zinc/13/56/27/853135627.db2.gz VUPPSJZMLUYHEB-ZHALLVOQSA-N 2 2 377.598 3.600 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N3[C@H](C)CCC[C@H]3C)C2)s1 ZINC000516894252 853135632 /nfs/dbraw/zinc/13/56/32/853135632.db2.gz VUPPSJZMLUYHEB-ZHALLVOQSA-N 2 2 377.598 3.600 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N3[C@H](C)CCC[C@H]3C)C2)s1 ZINC000516894252 853135636 /nfs/dbraw/zinc/13/56/36/853135636.db2.gz VUPPSJZMLUYHEB-ZHALLVOQSA-N 2 2 377.598 3.600 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167988388 853548554 /nfs/dbraw/zinc/54/85/54/853548554.db2.gz PQCMWLPUIYLHRX-HEWBTSDHSA-N 2 2 377.573 3.722 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167988388 853548557 /nfs/dbraw/zinc/54/85/57/853548557.db2.gz PQCMWLPUIYLHRX-HEWBTSDHSA-N 2 2 377.573 3.722 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167988388 853548561 /nfs/dbraw/zinc/54/85/61/853548561.db2.gz PQCMWLPUIYLHRX-HEWBTSDHSA-N 2 2 377.573 3.722 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167988388 853548566 /nfs/dbraw/zinc/54/85/66/853548566.db2.gz PQCMWLPUIYLHRX-HEWBTSDHSA-N 2 2 377.573 3.722 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000760678246 854109094 /nfs/dbraw/zinc/10/90/94/854109094.db2.gz FLMJVVTZZCYELC-FQEVSTJZSA-N 2 2 398.551 3.941 20 0 GHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441383015 854144631 /nfs/dbraw/zinc/14/46/31/854144631.db2.gz OTGOXLFYTONNOS-PGRDOPGGSA-N 2 2 392.503 3.867 20 0 GHADLP Cc1ccccc1[C@H](CC(C)C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000112470225 854232683 /nfs/dbraw/zinc/23/26/83/854232683.db2.gz GFVSQLHYYVRZHU-QFIPXVFZSA-N 2 2 388.600 3.750 20 0 GHADLP Cc1ccccc1[C@H](CC(C)C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000112470225 854232688 /nfs/dbraw/zinc/23/26/88/854232688.db2.gz GFVSQLHYYVRZHU-QFIPXVFZSA-N 2 2 388.600 3.750 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000112626292 854277705 /nfs/dbraw/zinc/27/77/05/854277705.db2.gz MFWHWAMTTGMDLK-NHCUHLMSSA-N 2 2 394.563 3.864 20 0 GHADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc4ccccc4n3C(F)F)CC2)C[C@H](C)O1 ZINC000588709726 854370018 /nfs/dbraw/zinc/37/00/18/854370018.db2.gz CXPZNNMYQKDYNE-IYBDPMFKSA-N 2 2 392.494 3.753 20 0 GHADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc4ccccc4n3C(F)F)CC2)C[C@H](C)O1 ZINC000588709726 854370025 /nfs/dbraw/zinc/37/00/25/854370025.db2.gz CXPZNNMYQKDYNE-IYBDPMFKSA-N 2 2 392.494 3.753 20 0 GHADLP c1ccc(C[NH+]2CC[C@]3(CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C3)C2)cc1 ZINC001167995037 854429765 /nfs/dbraw/zinc/42/97/65/854429765.db2.gz UXSOCTCMWDYDPD-NPZNXQLHSA-N 3 2 379.592 3.990 20 0 GHADLP c1ccc(C[NH+]2CC[C@]3(CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C3)C2)cc1 ZINC001167995037 854429772 /nfs/dbraw/zinc/42/97/72/854429772.db2.gz UXSOCTCMWDYDPD-NPZNXQLHSA-N 3 2 379.592 3.990 20 0 GHADLP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C3)C2)cc1 ZINC001167995037 854429776 /nfs/dbraw/zinc/42/97/76/854429776.db2.gz UXSOCTCMWDYDPD-NPZNXQLHSA-N 3 2 379.592 3.990 20 0 GHADLP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C3)C2)cc1 ZINC001167995037 854429781 /nfs/dbraw/zinc/42/97/81/854429781.db2.gz UXSOCTCMWDYDPD-NPZNXQLHSA-N 3 2 379.592 3.990 20 0 GHADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc2cc(OC)ccc2c1 ZINC000482008191 862602796 /nfs/dbraw/zinc/60/27/96/862602796.db2.gz MAYKOFUMKQLUDA-XZOQPEGZSA-N 2 2 397.563 3.832 20 0 GHADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc2cc(OC)ccc2c1 ZINC000482008191 862602798 /nfs/dbraw/zinc/60/27/98/862602798.db2.gz MAYKOFUMKQLUDA-XZOQPEGZSA-N 2 2 397.563 3.832 20 0 GHADLP CN(C(=O)C1CC(C(C)(C)C)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001128011832 854824267 /nfs/dbraw/zinc/82/42/67/854824267.db2.gz SXHLZENHMLXYDX-OWQMCBFZSA-N 2 2 377.617 3.854 20 0 GHADLP CN(C(=O)C1CC(C(C)(C)C)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001128011832 854824277 /nfs/dbraw/zinc/82/42/77/854824277.db2.gz SXHLZENHMLXYDX-OWQMCBFZSA-N 2 2 377.617 3.854 20 0 GHADLP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(OCCC)c1 ZINC000765793502 854826320 /nfs/dbraw/zinc/82/63/20/854826320.db2.gz ZAFHRDJTKBMQOC-CMKODMSKSA-N 2 2 376.541 3.778 20 0 GHADLP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(OCCC)c1 ZINC000765793502 854826322 /nfs/dbraw/zinc/82/63/22/854826322.db2.gz ZAFHRDJTKBMQOC-CMKODMSKSA-N 2 2 376.541 3.778 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000765797386 854852790 /nfs/dbraw/zinc/85/27/90/854852790.db2.gz ODSDIHVQNOJWMH-AMHTUMDSSA-N 2 2 384.495 3.919 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000765797386 854852792 /nfs/dbraw/zinc/85/27/92/854852792.db2.gz ODSDIHVQNOJWMH-AMHTUMDSSA-N 2 2 384.495 3.919 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@@H+]3CCC[C@H]3C3CCOCC3)CC2)cc1 ZINC001168613508 854868454 /nfs/dbraw/zinc/86/84/54/854868454.db2.gz QGNRWRUQNGNJMI-QFIPXVFZSA-N 2 2 391.987 3.743 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@H+]3CCC[C@H]3C3CCOCC3)CC2)cc1 ZINC001168613508 854868456 /nfs/dbraw/zinc/86/84/56/854868456.db2.gz QGNRWRUQNGNJMI-QFIPXVFZSA-N 2 2 391.987 3.743 20 0 GHADLP CC(C)Sc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000482015282 862630993 /nfs/dbraw/zinc/63/09/93/862630993.db2.gz IWTXTALWAWRMJX-FXAWDEMLSA-N 2 2 377.598 3.780 20 0 GHADLP CC(C)Sc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000482015282 862630998 /nfs/dbraw/zinc/63/09/98/862630998.db2.gz IWTXTALWAWRMJX-FXAWDEMLSA-N 2 2 377.598 3.780 20 0 GHADLP CN(C(=O)Nc1ccc(Cl)cn1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165541485 855323332 /nfs/dbraw/zinc/32/33/32/855323332.db2.gz SBZXBSPEMUVOGH-ROUUACIJSA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1ccc(Cl)cn1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165541485 855323340 /nfs/dbraw/zinc/32/33/40/855323340.db2.gz SBZXBSPEMUVOGH-ROUUACIJSA-N 2 2 393.963 3.536 20 0 GHADLP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000441530892 855584252 /nfs/dbraw/zinc/58/42/52/855584252.db2.gz GZFLLGGWNIWGFS-FGZHOGPDSA-N 2 2 378.564 3.985 20 0 GHADLP Cc1cccc([C@@H](C)[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000441530892 855584255 /nfs/dbraw/zinc/58/42/55/855584255.db2.gz GZFLLGGWNIWGFS-FGZHOGPDSA-N 2 2 378.564 3.985 20 0 GHADLP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c2ccccc2)CC1 ZINC000590859551 855633242 /nfs/dbraw/zinc/63/32/42/855633242.db2.gz JYLQXOLBAJUEEP-FCHUYYIVSA-N 2 2 395.551 3.703 20 0 GHADLP CCCC1CCC(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000465748152 855811907 /nfs/dbraw/zinc/81/19/07/855811907.db2.gz HABBKXYIMIYLEW-UHFFFAOYSA-N 2 2 378.605 3.595 20 0 GHADLP CC(C)c1[nH+]c(CN[C@H](CN2CC[NH+](C)CC2)c2ccccc2)c2ccccn21 ZINC000573096712 855863108 /nfs/dbraw/zinc/86/31/08/855863108.db2.gz GRDVGZVHNDJDPQ-JOCHJYFZSA-N 2 2 391.563 3.536 20 0 GHADLP O=C1[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)CCCN1c1ccccc1Cl ZINC000303895123 856194940 /nfs/dbraw/zinc/19/49/40/856194940.db2.gz KQTKJCPJBQGWRL-FQEVSTJZSA-N 2 2 375.944 3.643 20 0 GHADLP Cc1ccc2c(Cl)c(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)sc2c1 ZINC000591641132 856201881 /nfs/dbraw/zinc/20/18/81/856201881.db2.gz HBJDJKMVRWCYKJ-UHFFFAOYSA-N 2 2 393.984 3.961 20 0 GHADLP Cc1ccc2c(Cl)c(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)sc2c1 ZINC000591641132 856201888 /nfs/dbraw/zinc/20/18/88/856201888.db2.gz HBJDJKMVRWCYKJ-UHFFFAOYSA-N 2 2 393.984 3.961 20 0 GHADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000605124261 862793119 /nfs/dbraw/zinc/79/31/19/862793119.db2.gz HVHNXHFHILHPCT-UHFFFAOYSA-N 2 2 386.499 3.535 20 0 GHADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000605124261 862793131 /nfs/dbraw/zinc/79/31/31/862793131.db2.gz HVHNXHFHILHPCT-UHFFFAOYSA-N 2 2 386.499 3.535 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000429234507 856455774 /nfs/dbraw/zinc/45/57/74/856455774.db2.gz OSVMCERLILFBGL-FQEVSTJZSA-N 2 2 386.515 3.801 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000429234507 856455777 /nfs/dbraw/zinc/45/57/77/856455777.db2.gz OSVMCERLILFBGL-FQEVSTJZSA-N 2 2 386.515 3.801 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000507897133 856646299 /nfs/dbraw/zinc/64/62/99/856646299.db2.gz UJPYBDIHZZTZCZ-NZQKXSOJSA-N 2 2 388.515 3.999 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000507897133 856646301 /nfs/dbraw/zinc/64/63/01/856646301.db2.gz UJPYBDIHZZTZCZ-NZQKXSOJSA-N 2 2 388.515 3.999 20 0 GHADLP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000110871864 856692736 /nfs/dbraw/zinc/69/27/36/856692736.db2.gz UHOJEWXAONOEMM-UHFFFAOYSA-N 2 2 376.504 3.702 20 0 GHADLP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000110871864 856692744 /nfs/dbraw/zinc/69/27/44/856692744.db2.gz UHOJEWXAONOEMM-UHFFFAOYSA-N 2 2 376.504 3.702 20 0 GHADLP CN(C(=O)C(C)(C)Cc1cccc(Cl)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674685696 856705846 /nfs/dbraw/zinc/70/58/46/856705846.db2.gz ZWHQCOLNUMWVFC-FQEVSTJZSA-N 2 2 391.987 3.536 20 0 GHADLP CN(C(=O)C(C)(C)Cc1cccc(Cl)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674685696 856705852 /nfs/dbraw/zinc/70/58/52/856705852.db2.gz ZWHQCOLNUMWVFC-FQEVSTJZSA-N 2 2 391.987 3.536 20 0 GHADLP C[N@H+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000574081101 857213696 /nfs/dbraw/zinc/21/36/96/857213696.db2.gz GTOIYFDZZSZMBO-DFNIBXOVSA-N 2 2 378.442 3.948 20 0 GHADLP C[N@@H+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000574081101 857213704 /nfs/dbraw/zinc/21/37/04/857213704.db2.gz GTOIYFDZZSZMBO-DFNIBXOVSA-N 2 2 378.442 3.948 20 0 GHADLP C[NH+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000574081101 857213713 /nfs/dbraw/zinc/21/37/13/857213713.db2.gz GTOIYFDZZSZMBO-DFNIBXOVSA-N 2 2 378.442 3.948 20 0 GHADLP C[NH+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000574081101 857213724 /nfs/dbraw/zinc/21/37/24/857213724.db2.gz GTOIYFDZZSZMBO-DFNIBXOVSA-N 2 2 378.442 3.948 20 0 GHADLP Brc1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)cc1 ZINC000658293660 857255844 /nfs/dbraw/zinc/25/58/44/857255844.db2.gz IKTGWZLERRIQRR-MOPGFXCFSA-N 2 2 379.342 3.743 20 0 GHADLP COc1ccccc1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000574174456 857260749 /nfs/dbraw/zinc/26/07/49/857260749.db2.gz ODFBKGLXDSCOSR-NRFANRHFSA-N 2 2 381.520 3.524 20 0 GHADLP COc1ccccc1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000574174456 857260762 /nfs/dbraw/zinc/26/07/62/857260762.db2.gz ODFBKGLXDSCOSR-NRFANRHFSA-N 2 2 381.520 3.524 20 0 GHADLP Cc1cn2cc(NC(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)C[C@H]3C)ccc2[nH+]1 ZINC000499580772 857575700 /nfs/dbraw/zinc/57/57/00/857575700.db2.gz WGJRRYDKFLZGIZ-ZWKOTPCHSA-N 2 2 377.492 3.769 20 0 GHADLP Cc1cn2cc(NC(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)C[C@H]3C)ccc2[nH+]1 ZINC000499580772 857575707 /nfs/dbraw/zinc/57/57/07/857575707.db2.gz WGJRRYDKFLZGIZ-ZWKOTPCHSA-N 2 2 377.492 3.769 20 0 GHADLP CCC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000675886098 857661064 /nfs/dbraw/zinc/66/10/64/857661064.db2.gz NFPXBQGVRUWXBQ-WOJBJXKFSA-N 2 2 399.501 3.543 20 0 GHADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000675920516 857665251 /nfs/dbraw/zinc/66/52/51/857665251.db2.gz SLMQCJXUHXRLNN-UTKZUKDTSA-N 2 2 392.503 3.719 20 0 GHADLP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676132838 857746111 /nfs/dbraw/zinc/74/61/11/857746111.db2.gz GOVWIFLLQADTKS-HXUWFJFHSA-N 2 2 397.523 3.617 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C2 ZINC000521384540 857949189 /nfs/dbraw/zinc/94/91/89/857949189.db2.gz BZWAKKDUCXKLQE-LJQANCHMSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)CC2 ZINC000521384540 857949201 /nfs/dbraw/zinc/94/92/01/857949201.db2.gz BZWAKKDUCXKLQE-LJQANCHMSA-N 2 2 394.563 3.761 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C1CCCCC1 ZINC000543041631 858042908 /nfs/dbraw/zinc/04/29/08/858042908.db2.gz DUVKNKIVBQCXLS-NRFANRHFSA-N 2 2 389.588 3.595 20 0 GHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290571 858061775 /nfs/dbraw/zinc/06/17/75/858061775.db2.gz CXCXDZPXMRCDSE-SNVBAGLBSA-N 2 2 389.912 3.577 20 0 GHADLP C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442762341 858101357 /nfs/dbraw/zinc/10/13/57/858101357.db2.gz HCJMBDIQDFZKMO-IUPYZPJSSA-N 2 2 383.580 3.862 20 0 GHADLP C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442762341 858101361 /nfs/dbraw/zinc/10/13/61/858101361.db2.gz HCJMBDIQDFZKMO-IUPYZPJSSA-N 2 2 383.580 3.862 20 0 GHADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)N[C@H]1CCCc2ccccc21 ZINC000543060247 858135773 /nfs/dbraw/zinc/13/57/73/858135773.db2.gz DCMMREGLUUOEDG-QFIPXVFZSA-N 2 2 380.536 3.569 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000521628586 858195295 /nfs/dbraw/zinc/19/52/95/858195295.db2.gz UBNDLKQNDFRNEK-LEWJYISDSA-N 2 2 385.939 3.896 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000521628588 858195373 /nfs/dbraw/zinc/19/53/73/858195373.db2.gz UBNDLKQNDFRNEK-NHCUHLMSSA-N 2 2 385.939 3.896 20 0 GHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cc(Cl)ccc3F)CC2)C[C@@H](C)O1 ZINC000682532598 858337545 /nfs/dbraw/zinc/33/75/45/858337545.db2.gz RFIGAVLFFJUDSZ-HZPDHXFCSA-N 2 2 384.923 3.569 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000521887462 858419921 /nfs/dbraw/zinc/41/99/21/858419921.db2.gz QBJWLPWHPUNMEZ-HOTGVXAUSA-N 2 2 390.572 3.605 20 0 GHADLP CC(C)Cc1ccc([C@H](CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)[NH+](C)C)cc1 ZINC000673219439 858423842 /nfs/dbraw/zinc/42/38/42/858423842.db2.gz QWJQGGVMJZZGPZ-VXKWHMMOSA-N 2 2 397.567 3.731 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(SC2CCCC2)cc1 ZINC000482641902 858716547 /nfs/dbraw/zinc/71/65/47/858716547.db2.gz LLWIIFCXDBQUNE-OXJNMPFZSA-N 2 2 375.582 3.712 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(SC2CCCC2)cc1 ZINC000482641902 858716553 /nfs/dbraw/zinc/71/65/53/858716553.db2.gz LLWIIFCXDBQUNE-OXJNMPFZSA-N 2 2 375.582 3.712 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000482653416 858735678 /nfs/dbraw/zinc/73/56/78/858735678.db2.gz XYKSBIYSWZPPCR-OTWHNJEPSA-N 2 2 397.485 3.661 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000482653416 858735680 /nfs/dbraw/zinc/73/56/80/858735680.db2.gz XYKSBIYSWZPPCR-OTWHNJEPSA-N 2 2 397.485 3.661 20 0 GHADLP COc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000676712002 858773846 /nfs/dbraw/zinc/77/38/46/858773846.db2.gz ASXKFGXRYBVUIF-KBXCAEBGSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000676712002 858773852 /nfs/dbraw/zinc/77/38/52/858773852.db2.gz ASXKFGXRYBVUIF-KBXCAEBGSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676712002 858773858 /nfs/dbraw/zinc/77/38/58/858773858.db2.gz ASXKFGXRYBVUIF-KBXCAEBGSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000676712002 858773865 /nfs/dbraw/zinc/77/38/65/858773865.db2.gz ASXKFGXRYBVUIF-KBXCAEBGSA-N 2 2 379.342 3.906 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCC1)c1ccccc1 ZINC000522230064 858856431 /nfs/dbraw/zinc/85/64/31/858856431.db2.gz XVUWUHOGQIWWTA-ICSRJNTNSA-N 2 2 395.551 3.962 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(F)cc(C)cc3F)C2)ccn1 ZINC000856548694 881362283 /nfs/dbraw/zinc/36/22/83/881362283.db2.gz MDKLUXHEMCPADE-SFHVURJKSA-N 2 2 375.463 3.773 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(F)cc(C)cc3F)C2)ccn1 ZINC000856548694 881362301 /nfs/dbraw/zinc/36/23/01/881362301.db2.gz MDKLUXHEMCPADE-SFHVURJKSA-N 2 2 375.463 3.773 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3c(F)cc(C)cc3F)C2)ccn1 ZINC000856548694 881362322 /nfs/dbraw/zinc/36/23/22/881362322.db2.gz MDKLUXHEMCPADE-SFHVURJKSA-N 2 2 375.463 3.773 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3c(F)cc(C)cc3F)C2)ccn1 ZINC000856548694 881362342 /nfs/dbraw/zinc/36/23/42/881362342.db2.gz MDKLUXHEMCPADE-SFHVURJKSA-N 2 2 375.463 3.773 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ncccc3C(F)(F)F)C2)ccn1 ZINC000856552264 881373685 /nfs/dbraw/zinc/37/36/85/881373685.db2.gz KMCBZVKCKPLOHD-QGZVFWFLSA-N 2 2 394.441 3.600 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ncccc3C(F)(F)F)C2)ccn1 ZINC000856552264 881373704 /nfs/dbraw/zinc/37/37/04/881373704.db2.gz KMCBZVKCKPLOHD-QGZVFWFLSA-N 2 2 394.441 3.600 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ncccc3C(F)(F)F)C2)ccn1 ZINC000856552264 881373722 /nfs/dbraw/zinc/37/37/22/881373722.db2.gz KMCBZVKCKPLOHD-QGZVFWFLSA-N 2 2 394.441 3.600 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ncccc3C(F)(F)F)C2)ccn1 ZINC000856552264 881373739 /nfs/dbraw/zinc/37/37/39/881373739.db2.gz KMCBZVKCKPLOHD-QGZVFWFLSA-N 2 2 394.441 3.600 20 0 GHADLP C[N@H+](CCN1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1)Cc1ccccc1 ZINC000543629616 859107271 /nfs/dbraw/zinc/10/72/71/859107271.db2.gz HYHVDQIFVGWQHJ-YVMONPNESA-N 2 2 385.502 3.728 20 0 GHADLP C[N@@H+](CCN1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1)Cc1ccccc1 ZINC000543629616 859107274 /nfs/dbraw/zinc/10/72/74/859107274.db2.gz HYHVDQIFVGWQHJ-YVMONPNESA-N 2 2 385.502 3.728 20 0 GHADLP C[C@H](CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[NH+]1CCCCC1 ZINC000543286144 859145998 /nfs/dbraw/zinc/14/59/98/859145998.db2.gz BNAWEBPNFYZHBL-MRXNPFEDSA-N 2 2 379.574 3.515 20 0 GHADLP Fc1ccc(C2([NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)CCOCC2)cc1 ZINC000509364510 859185333 /nfs/dbraw/zinc/18/53/33/859185333.db2.gz FNRRJSPRGFMAJV-UHFFFAOYSA-N 2 2 397.538 3.633 20 0 GHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c1 ZINC000483178639 859193262 /nfs/dbraw/zinc/19/32/62/859193262.db2.gz HBDMYOYOQPNRBU-FPOVZHCZSA-N 2 2 399.579 3.555 20 0 GHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)c1 ZINC000483178639 859193267 /nfs/dbraw/zinc/19/32/67/859193267.db2.gz HBDMYOYOQPNRBU-FPOVZHCZSA-N 2 2 399.579 3.555 20 0 GHADLP C[C@H](c1cccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1)[NH+]1CCOCC1 ZINC000483181890 859194153 /nfs/dbraw/zinc/19/41/53/859194153.db2.gz GYAWVXHGMADANH-QUCCMNQESA-N 2 2 385.552 3.673 20 0 GHADLP C[C@H](c1cccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1)[NH+]1CCOCC1 ZINC000483181890 859194162 /nfs/dbraw/zinc/19/41/62/859194162.db2.gz GYAWVXHGMADANH-QUCCMNQESA-N 2 2 385.552 3.673 20 0 GHADLP Cc1c2cc(Cl)ccc2oc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474485 859285544 /nfs/dbraw/zinc/28/55/44/859285544.db2.gz PRVXHFKVVZVQHM-QGZVFWFLSA-N 2 2 389.927 3.635 20 0 GHADLP Cc1c2cc(Cl)ccc2oc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474485 859285550 /nfs/dbraw/zinc/28/55/50/859285550.db2.gz PRVXHFKVVZVQHM-QGZVFWFLSA-N 2 2 389.927 3.635 20 0 GHADLP CC(C)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2ccccc2n1 ZINC000601477051 859287887 /nfs/dbraw/zinc/28/78/87/859287887.db2.gz AOIGNOUAMYDULQ-LJQANCHMSA-N 2 2 394.563 3.599 20 0 GHADLP CC(C)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2ccccc2n1 ZINC000601477051 859287901 /nfs/dbraw/zinc/28/79/01/859287901.db2.gz AOIGNOUAMYDULQ-LJQANCHMSA-N 2 2 394.563 3.599 20 0 GHADLP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc2c(c1)CCO2 ZINC000155160471 881408175 /nfs/dbraw/zinc/40/81/75/881408175.db2.gz ZIFCWFKMFIAHKS-HSZRJFAPSA-N 2 2 396.531 3.573 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000195343776 859375683 /nfs/dbraw/zinc/37/56/83/859375683.db2.gz PQHKEAGFNMIAEJ-HSZRJFAPSA-N 2 2 398.595 3.872 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000543394961 859551993 /nfs/dbraw/zinc/55/19/93/859551993.db2.gz QJYLJZOHHBPWDO-UHFFFAOYSA-N 2 2 396.441 3.949 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@H](C)C1 ZINC000483720681 859558914 /nfs/dbraw/zinc/55/89/14/859558914.db2.gz GLVWEFSYGKFXHH-FCIYXJNOSA-N 3 2 393.641 3.858 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@H](C)C1 ZINC000483720681 859558926 /nfs/dbraw/zinc/55/89/26/859558926.db2.gz GLVWEFSYGKFXHH-FCIYXJNOSA-N 3 2 393.641 3.858 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@H](C)C1 ZINC000483720681 859558937 /nfs/dbraw/zinc/55/89/37/859558937.db2.gz GLVWEFSYGKFXHH-FCIYXJNOSA-N 3 2 393.641 3.858 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@H](C)C1 ZINC000483720681 859558947 /nfs/dbraw/zinc/55/89/47/859558947.db2.gz GLVWEFSYGKFXHH-FCIYXJNOSA-N 3 2 393.641 3.858 20 0 GHADLP Cc1c([C@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)nnn1-c1ccc(C)cc1 ZINC000484125200 859815912 /nfs/dbraw/zinc/81/59/12/859815912.db2.gz GSKUCZZHRJUQHD-SFHVURJKSA-N 2 2 390.535 3.907 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1OC(F)F ZINC000484139276 859827148 /nfs/dbraw/zinc/82/71/48/859827148.db2.gz DXMFRIOHWGGOPO-QRFRQXIXSA-N 2 2 390.474 3.822 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1OC(F)F ZINC000484139276 859827155 /nfs/dbraw/zinc/82/71/55/859827155.db2.gz DXMFRIOHWGGOPO-QRFRQXIXSA-N 2 2 390.474 3.822 20 0 GHADLP Cc1ccc(-c2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c(F)c2)cc1 ZINC000602194461 859832835 /nfs/dbraw/zinc/83/28/35/859832835.db2.gz LBCBSXINNCEGBT-HXUWFJFHSA-N 2 2 395.522 3.699 20 0 GHADLP Cc1ccc(-c2ccc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c(F)c2)cc1 ZINC000602194461 859832838 /nfs/dbraw/zinc/83/28/38/859832838.db2.gz LBCBSXINNCEGBT-HXUWFJFHSA-N 2 2 395.522 3.699 20 0 GHADLP Cc1ccc(-c2ccc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c(F)c2)cc1 ZINC000602194439 859832973 /nfs/dbraw/zinc/83/29/73/859832973.db2.gz LBCBSXINNCEGBT-FQEVSTJZSA-N 2 2 395.522 3.699 20 0 GHADLP Cc1ccc(-c2ccc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c(F)c2)cc1 ZINC000602194439 859832978 /nfs/dbraw/zinc/83/29/78/859832978.db2.gz LBCBSXINNCEGBT-FQEVSTJZSA-N 2 2 395.522 3.699 20 0 GHADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cscc3Br)cc2)CC1 ZINC000512136076 859866241 /nfs/dbraw/zinc/86/62/41/859866241.db2.gz PTEPSKZMQDXOGP-UHFFFAOYSA-N 2 2 394.382 3.548 20 0 GHADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cscc3Br)cc2)CC1 ZINC000512136076 859866247 /nfs/dbraw/zinc/86/62/47/859866247.db2.gz PTEPSKZMQDXOGP-UHFFFAOYSA-N 2 2 394.382 3.548 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765252059 859866929 /nfs/dbraw/zinc/86/69/29/859866929.db2.gz PWCVAYNDIYVSHC-VQIMIIECSA-N 2 2 390.959 3.978 20 0 GHADLP O[C@@]1(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484182681 859869435 /nfs/dbraw/zinc/86/94/35/859869435.db2.gz XXRZJORUUNXHMZ-JTHBVZDNSA-N 2 2 378.516 3.660 20 0 GHADLP O[C@@]1(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484182681 859869444 /nfs/dbraw/zinc/86/94/44/859869444.db2.gz XXRZJORUUNXHMZ-JTHBVZDNSA-N 2 2 378.516 3.660 20 0 GHADLP Cc1cccn2cc(CCNC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)[nH+]c12 ZINC000164405400 859960455 /nfs/dbraw/zinc/96/04/55/859960455.db2.gz FWLHIABQUPZFLM-UHFFFAOYSA-N 2 2 390.531 3.604 20 0 GHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629654928 860049452 /nfs/dbraw/zinc/04/94/52/860049452.db2.gz JUVLKEBXHJFFHG-KBXCAEBGSA-N 2 2 384.421 3.587 20 0 GHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629654928 860049465 /nfs/dbraw/zinc/04/94/65/860049465.db2.gz JUVLKEBXHJFFHG-KBXCAEBGSA-N 2 2 384.421 3.587 20 0 GHADLP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000499908336 860150880 /nfs/dbraw/zinc/15/08/80/860150880.db2.gz RFAOEKLPKOOCAB-LJQANCHMSA-N 2 2 397.485 3.614 20 0 GHADLP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000499908336 860150891 /nfs/dbraw/zinc/15/08/91/860150891.db2.gz RFAOEKLPKOOCAB-LJQANCHMSA-N 2 2 397.485 3.614 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)[C@H]1c1ccc(Cl)cc1 ZINC000534789539 860254046 /nfs/dbraw/zinc/25/40/46/860254046.db2.gz NXPUAUCKVDGVSJ-PWRODBHTSA-N 2 2 398.938 3.571 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)[C@H]1c1ccc(Cl)cc1 ZINC000534789539 860254055 /nfs/dbraw/zinc/25/40/55/860254055.db2.gz NXPUAUCKVDGVSJ-PWRODBHTSA-N 2 2 398.938 3.571 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)[C@H]1c1ccc(Cl)cc1 ZINC000534789539 860254059 /nfs/dbraw/zinc/25/40/59/860254059.db2.gz NXPUAUCKVDGVSJ-PWRODBHTSA-N 2 2 398.938 3.571 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)[C@H]1c1ccc(Cl)cc1 ZINC000534789539 860254066 /nfs/dbraw/zinc/25/40/66/860254066.db2.gz NXPUAUCKVDGVSJ-PWRODBHTSA-N 2 2 398.938 3.571 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)cn1 ZINC000765602582 860308967 /nfs/dbraw/zinc/30/89/67/860308967.db2.gz BHYJDBMFDIEANV-UHFFFAOYSA-N 2 2 378.476 3.821 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(C(C)(C)C[NH3+])CC3)n2)C1 ZINC000904280825 860310392 /nfs/dbraw/zinc/31/03/92/860310392.db2.gz BAISFWNGKHCTJQ-HNNXBMFYSA-N 2 2 393.601 3.604 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(C(C)(C)C[NH3+])CC3)n2)C1 ZINC000904280825 860310401 /nfs/dbraw/zinc/31/04/01/860310401.db2.gz BAISFWNGKHCTJQ-HNNXBMFYSA-N 2 2 393.601 3.604 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000508967095 860321547 /nfs/dbraw/zinc/32/15/47/860321547.db2.gz LEIKWEXJWUNOBQ-HXUWFJFHSA-N 2 2 395.547 3.711 20 0 GHADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191835977 860367699 /nfs/dbraw/zinc/36/76/99/860367699.db2.gz SLAJFRDVHZRWMW-DENIHFKCSA-N 2 2 398.547 3.516 20 0 GHADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191835977 860367704 /nfs/dbraw/zinc/36/77/04/860367704.db2.gz SLAJFRDVHZRWMW-DENIHFKCSA-N 2 2 398.547 3.516 20 0 GHADLP [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000904449131 860452797 /nfs/dbraw/zinc/45/27/97/860452797.db2.gz FFSICADDJZNGGP-VGSWGCGISA-N 2 2 379.508 3.622 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1-n1cccn1 ZINC000508991093 860456479 /nfs/dbraw/zinc/45/64/79/860456479.db2.gz LZOVOUKYZDJLCK-OAQYLSRUSA-N 2 2 389.547 3.735 20 0 GHADLP Oc1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1Br ZINC000904471227 860463679 /nfs/dbraw/zinc/46/36/79/860463679.db2.gz FRBPEZFCDSHZGP-KXBFYZLASA-N 2 2 389.293 3.500 20 0 GHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474762524 860730631 /nfs/dbraw/zinc/73/06/31/860730631.db2.gz LDXACZHKSCLSLZ-LEWJYISDSA-N 2 2 399.510 3.727 20 0 GHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474762524 860730638 /nfs/dbraw/zinc/73/06/38/860730638.db2.gz LDXACZHKSCLSLZ-LEWJYISDSA-N 2 2 399.510 3.727 20 0 GHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2([NH+](C)C)Cc3ccccc3C2)cc1OC ZINC000474801968 860803904 /nfs/dbraw/zinc/80/39/04/860803904.db2.gz UBZQTJOMLHLIIW-QZTJIDSGSA-N 2 2 382.548 3.885 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000532235131 881588386 /nfs/dbraw/zinc/58/83/86/881588386.db2.gz YYQWHIZMFRUQNQ-OXJNMPFZSA-N 2 2 378.438 3.993 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000532235131 881588393 /nfs/dbraw/zinc/58/83/93/881588393.db2.gz YYQWHIZMFRUQNQ-OXJNMPFZSA-N 2 2 378.438 3.993 20 0 GHADLP Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000669694777 861103801 /nfs/dbraw/zinc/10/38/01/861103801.db2.gz KUPCZGKPWUSORA-KRWDZBQOSA-N 2 2 377.492 3.957 20 0 GHADLP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000669694777 861103805 /nfs/dbraw/zinc/10/38/05/861103805.db2.gz KUPCZGKPWUSORA-KRWDZBQOSA-N 2 2 377.492 3.957 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000600158784 861132320 /nfs/dbraw/zinc/13/23/20/861132320.db2.gz NJFMBHQZKFXCIF-KRWDZBQOSA-N 2 2 384.524 3.721 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000600158784 861132330 /nfs/dbraw/zinc/13/23/30/861132330.db2.gz NJFMBHQZKFXCIF-KRWDZBQOSA-N 2 2 384.524 3.721 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000143079502 863087500 /nfs/dbraw/zinc/08/75/00/863087500.db2.gz AHFKGBVYQHREDU-GOSISDBHSA-N 2 2 377.366 3.594 20 0 GHADLP COC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(F)c(F)c1 ZINC000182598293 863296265 /nfs/dbraw/zinc/29/62/65/863296265.db2.gz VQTJHXWZRRYUOC-ZHRRBRCNSA-N 2 2 390.474 3.663 20 0 GHADLP COC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(F)c(F)c1 ZINC000182598293 863296280 /nfs/dbraw/zinc/29/62/80/863296280.db2.gz VQTJHXWZRRYUOC-ZHRRBRCNSA-N 2 2 390.474 3.663 20 0 GHADLP Cc1cccn2cc(CC(=O)N(C)[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)[nH+]c12 ZINC000606309187 863512807 /nfs/dbraw/zinc/51/28/07/863512807.db2.gz BGBHVJFMBDXOHS-KNQAVFIVSA-N 2 2 390.531 3.697 20 0 GHADLP Cc1cccn2cc(CC(=O)N(C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)[nH+]c12 ZINC000606309187 863512817 /nfs/dbraw/zinc/51/28/17/863512817.db2.gz BGBHVJFMBDXOHS-KNQAVFIVSA-N 2 2 390.531 3.697 20 0 GHADLP Cc1ccccc1Cn1c2ccccc2[nH+]c1NCc1ncc(C[NH+](C)C)s1 ZINC000508464755 863536569 /nfs/dbraw/zinc/53/65/69/863536569.db2.gz FHDOGEKJDSRBPW-UHFFFAOYSA-N 2 2 391.544 3.945 20 0 GHADLP Cc1cccc(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000606432109 863607789 /nfs/dbraw/zinc/60/77/89/863607789.db2.gz QVAVKBOSQYTUPY-JOCHJYFZSA-N 2 2 378.564 3.733 20 0 GHADLP Cc1cccc(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000606432109 863607796 /nfs/dbraw/zinc/60/77/96/863607796.db2.gz QVAVKBOSQYTUPY-JOCHJYFZSA-N 2 2 378.564 3.733 20 0 GHADLP Brc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000494407804 881682267 /nfs/dbraw/zinc/68/22/67/881682267.db2.gz VFFVAMJUETVBBD-LLVKDONJSA-N 2 2 385.103 3.513 20 0 GHADLP Brc1cccc(-c2nc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cs2)c1 ZINC000494408027 881685311 /nfs/dbraw/zinc/68/53/11/881685311.db2.gz BSEABDVZVKMQLS-AWEZNQCLSA-N 2 2 389.322 3.874 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(OC)ncc1Br ZINC000621286848 864060070 /nfs/dbraw/zinc/06/00/70/864060070.db2.gz VHEJLKGTUFSFDO-UHFFFAOYSA-N 2 2 381.318 3.524 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(OC)ncc1Br ZINC000621286848 864060086 /nfs/dbraw/zinc/06/00/86/864060086.db2.gz VHEJLKGTUFSFDO-UHFFFAOYSA-N 2 2 381.318 3.524 20 0 GHADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1Oc1ccccc1 ZINC000480169795 864188778 /nfs/dbraw/zinc/18/87/78/864188778.db2.gz NNBJWXVYCKOQKU-YTFSRNRJSA-N 2 2 377.488 3.646 20 0 GHADLP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000607278844 864233813 /nfs/dbraw/zinc/23/38/13/864233813.db2.gz NZKVYPUOWDSRSZ-QFIPXVFZSA-N 2 2 378.520 3.671 20 0 GHADLP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000607278844 864233826 /nfs/dbraw/zinc/23/38/26/864233826.db2.gz NZKVYPUOWDSRSZ-QFIPXVFZSA-N 2 2 378.520 3.671 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366839 864351535 /nfs/dbraw/zinc/35/15/35/864351535.db2.gz WWGGNGMVBCSEGZ-QHCPKHFHSA-N 2 2 398.453 3.951 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366839 864351551 /nfs/dbraw/zinc/35/15/51/864351551.db2.gz WWGGNGMVBCSEGZ-QHCPKHFHSA-N 2 2 398.453 3.951 20 0 GHADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480303039 864447209 /nfs/dbraw/zinc/44/72/09/864447209.db2.gz ZVJJEOLBRYRSBL-OALUTQOASA-N 2 2 376.447 3.692 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCNc1cccc[nH+]1 ZINC000163786441 864564324 /nfs/dbraw/zinc/56/43/24/864564324.db2.gz FMRULTRNMHBUKA-AWEZNQCLSA-N 2 2 391.313 3.653 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)ccn12 ZINC000567366092 864569733 /nfs/dbraw/zinc/56/97/33/864569733.db2.gz VBIIWRHECYOTNP-FQEVSTJZSA-N 2 2 376.504 3.675 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)ccn12 ZINC000567366092 864569742 /nfs/dbraw/zinc/56/97/42/864569742.db2.gz VBIIWRHECYOTNP-FQEVSTJZSA-N 2 2 376.504 3.675 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCCC[N@H+](Cc4ccccc4)C3)ccn12 ZINC000567366093 864569864 /nfs/dbraw/zinc/56/98/64/864569864.db2.gz VBIIWRHECYOTNP-HXUWFJFHSA-N 2 2 376.504 3.675 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)ccn12 ZINC000567366093 864569870 /nfs/dbraw/zinc/56/98/70/864569870.db2.gz VBIIWRHECYOTNP-HXUWFJFHSA-N 2 2 376.504 3.675 20 0 GHADLP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000166215217 864724498 /nfs/dbraw/zinc/72/44/98/864724498.db2.gz GVUGNHAPRMKMJI-UPVQGACJSA-N 2 2 380.532 3.776 20 0 GHADLP C[C@@H](CC(F)(F)C[NH3+])c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001211895659 864753292 /nfs/dbraw/zinc/75/32/92/864753292.db2.gz JKRQFUFMFXWZOQ-MEDUHNTESA-N 2 2 391.397 3.695 20 0 GHADLP Cc1ccc(CCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1Cl ZINC000607876229 864785031 /nfs/dbraw/zinc/78/50/31/864785031.db2.gz QMFGRLLJOFEKCT-UHFFFAOYSA-N 2 2 391.987 3.648 20 0 GHADLP FC(F)(F)Cn1cc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cn1 ZINC000554888635 865091622 /nfs/dbraw/zinc/09/16/22/865091622.db2.gz QVQXRZCXECFULZ-ROUUACIJSA-N 2 2 375.398 3.660 20 0 GHADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000494529159 881854809 /nfs/dbraw/zinc/85/48/09/881854809.db2.gz GWCWAGUEISQTNJ-HJNYFJLDSA-N 2 2 395.551 3.675 20 0 GHADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000494529159 881854827 /nfs/dbraw/zinc/85/48/27/881854827.db2.gz GWCWAGUEISQTNJ-HJNYFJLDSA-N 2 2 395.551 3.675 20 0 GHADLP O[C@H](C[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000480793881 865285329 /nfs/dbraw/zinc/28/53/29/865285329.db2.gz IICNEUFGVQYUPJ-FYYLOGMGSA-N 2 2 392.543 3.832 20 0 GHADLP O[C@H](C[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000480793881 865285339 /nfs/dbraw/zinc/28/53/39/865285339.db2.gz IICNEUFGVQYUPJ-FYYLOGMGSA-N 2 2 392.543 3.832 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000090657338 881857703 /nfs/dbraw/zinc/85/77/03/881857703.db2.gz ZEFCGUCAHJCYED-OIBXWCBGSA-N 2 2 381.564 3.684 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000090657338 881857710 /nfs/dbraw/zinc/85/77/10/881857710.db2.gz ZEFCGUCAHJCYED-OIBXWCBGSA-N 2 2 381.564 3.684 20 0 GHADLP CN(C(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608488473 865406515 /nfs/dbraw/zinc/40/65/15/865406515.db2.gz GMMGTMFZIPUWAB-OAHLLOKOSA-N 2 2 385.339 3.626 20 0 GHADLP CN(C(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608488473 865406524 /nfs/dbraw/zinc/40/65/24/865406524.db2.gz GMMGTMFZIPUWAB-OAHLLOKOSA-N 2 2 385.339 3.626 20 0 GHADLP Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)cc1 ZINC000480888491 865442251 /nfs/dbraw/zinc/44/22/51/865442251.db2.gz YIRUNWTXVAVQQS-RDPSFJRHSA-N 2 2 390.531 3.905 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1C ZINC000172269114 865542857 /nfs/dbraw/zinc/54/28/57/865542857.db2.gz LGHVPWZTUAKRLN-GOSISDBHSA-N 2 2 398.551 3.978 20 0 GHADLP O[C@@](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)(c1ccccc1)C(F)(F)F ZINC000174342637 865751722 /nfs/dbraw/zinc/75/17/22/865751722.db2.gz UIIFVWXKWKPCCA-FQEVSTJZSA-N 2 2 378.438 3.691 20 0 GHADLP Cc1cc(NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)cc[nH+]1 ZINC000302347051 865796793 /nfs/dbraw/zinc/79/67/93/865796793.db2.gz XPEIDHQNEJCJOB-UHFFFAOYSA-N 2 2 377.467 3.863 20 0 GHADLP Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)sc1C ZINC000481166328 865907010 /nfs/dbraw/zinc/90/70/10/865907010.db2.gz KENOTLIEOLVYLF-SIXWZSSISA-N 2 2 386.565 3.587 20 0 GHADLP Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)sc1C ZINC000481166328 865907016 /nfs/dbraw/zinc/90/70/16/865907016.db2.gz KENOTLIEOLVYLF-SIXWZSSISA-N 2 2 386.565 3.587 20 0 GHADLP C[C@H](CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000481181751 865944914 /nfs/dbraw/zinc/94/49/14/865944914.db2.gz NONGXBACRCZLQV-IUBSTNSRSA-N 2 2 393.575 3.795 20 0 GHADLP C[C@H](CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000481181751 865944925 /nfs/dbraw/zinc/94/49/25/865944925.db2.gz NONGXBACRCZLQV-IUBSTNSRSA-N 2 2 393.575 3.795 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(Cl)cn1 ZINC000481186270 865951913 /nfs/dbraw/zinc/95/19/13/865951913.db2.gz XLJLOUPWFWEFOY-GJYPPUQNSA-N 2 2 386.927 3.562 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(Cl)cn1 ZINC000481186270 865951927 /nfs/dbraw/zinc/95/19/27/865951927.db2.gz XLJLOUPWFWEFOY-GJYPPUQNSA-N 2 2 386.927 3.562 20 0 GHADLP CC1(C)CCc2cc(C[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)ccc2O1 ZINC000741258144 866359550 /nfs/dbraw/zinc/35/95/50/866359550.db2.gz KUKLTKNTRLPLHD-DEOSSOPVSA-N 2 2 380.532 3.517 20 0 GHADLP CC1(C)CCc2cc(C[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)ccc2O1 ZINC000741258144 866359553 /nfs/dbraw/zinc/35/95/53/866359553.db2.gz KUKLTKNTRLPLHD-DEOSSOPVSA-N 2 2 380.532 3.517 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(Br)c1 ZINC000639758197 866374796 /nfs/dbraw/zinc/37/47/96/866374796.db2.gz QFHZZWBZAJEBNC-HNNXBMFYSA-N 2 2 394.357 3.502 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(Br)c1 ZINC000639758197 866374807 /nfs/dbraw/zinc/37/48/07/866374807.db2.gz QFHZZWBZAJEBNC-HNNXBMFYSA-N 2 2 394.357 3.502 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@H+](Cc3ccccc3)C[C@@H](C)C1)C2 ZINC000456351389 866472591 /nfs/dbraw/zinc/47/25/91/866472591.db2.gz WUUZXIHNDWYFIK-UYAOXDASSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@@H+](Cc3ccccc3)C[C@@H](C)C1)C2 ZINC000456351389 866472596 /nfs/dbraw/zinc/47/25/96/866472596.db2.gz WUUZXIHNDWYFIK-UYAOXDASSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@H+](Cc3ccccc3)C[C@@H](C)C1)CC2 ZINC000456351389 866472601 /nfs/dbraw/zinc/47/26/01/866472601.db2.gz WUUZXIHNDWYFIK-UYAOXDASSA-N 2 2 394.563 3.619 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@@H+](Cc3ccccc3)C[C@@H](C)C1)CC2 ZINC000456351389 866472603 /nfs/dbraw/zinc/47/26/03/866472603.db2.gz WUUZXIHNDWYFIK-UYAOXDASSA-N 2 2 394.563 3.619 20 0 GHADLP CCc1ccsc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358611 866643793 /nfs/dbraw/zinc/64/37/93/866643793.db2.gz FWZFIMBMCXJBFY-MOPGFXCFSA-N 2 2 377.598 3.720 20 0 GHADLP CCc1ccsc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358611 866643800 /nfs/dbraw/zinc/64/38/00/866643800.db2.gz FWZFIMBMCXJBFY-MOPGFXCFSA-N 2 2 377.598 3.720 20 0 GHADLP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000620550064 866849005 /nfs/dbraw/zinc/84/90/05/866849005.db2.gz FRAMFZCKZWDOOH-YJBOKZPZSA-N 2 2 398.954 3.646 20 0 GHADLP CC[C@@H](NC(=S)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccs1 ZINC000741874903 866872033 /nfs/dbraw/zinc/87/20/33/866872033.db2.gz SKBAFSPSOFYQSQ-QGZVFWFLSA-N 2 2 394.654 3.614 20 0 GHADLP CC[C@H](C)[C@@H]1CN(CCC[NH+]2CCCCC2)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444609299 866945722 /nfs/dbraw/zinc/94/57/22/866945722.db2.gz MMQRXQUPTGHYEM-ZEQRLZLVSA-N 3 2 392.676 3.771 20 0 GHADLP CC[C@H](C)[C@@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444609299 866945732 /nfs/dbraw/zinc/94/57/32/866945732.db2.gz MMQRXQUPTGHYEM-ZEQRLZLVSA-N 3 2 392.676 3.771 20 0 GHADLP CC[C@H](C)[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)CCN1CCC[NH+]1CCCCC1 ZINC000444609299 866945745 /nfs/dbraw/zinc/94/57/45/866945745.db2.gz MMQRXQUPTGHYEM-ZEQRLZLVSA-N 3 2 392.676 3.771 20 0 GHADLP CC[C@H](C)[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CCN1CCC[NH+]1CCCCC1 ZINC000444609299 866945762 /nfs/dbraw/zinc/94/57/62/866945762.db2.gz MMQRXQUPTGHYEM-ZEQRLZLVSA-N 3 2 392.676 3.771 20 0 GHADLP CC/C(=C/C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000742011861 866978769 /nfs/dbraw/zinc/97/87/69/866978769.db2.gz RQBZMFYULJAILO-UZYVYHOESA-N 2 2 383.580 3.855 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(-c2ccccc2Br)s1 ZINC000154342362 867361961 /nfs/dbraw/zinc/36/19/61/867361961.db2.gz PMCGLQJSHOLHQW-QWHCGFSZSA-N 2 2 383.355 3.751 20 0 GHADLP CCOc1ccccc1[C@@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155181038 867789346 /nfs/dbraw/zinc/78/93/46/867789346.db2.gz OZORLJARGHYKCT-LJQANCHMSA-N 2 2 384.520 3.647 20 0 GHADLP O=C(CCn1cc[nH+]c1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000523724532 867827604 /nfs/dbraw/zinc/82/76/04/867827604.db2.gz VAVXAVNMHHWDJL-UHFFFAOYSA-N 2 2 395.334 3.705 20 0 GHADLP Cc1ncc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(C)n1 ZINC000155699005 868038131 /nfs/dbraw/zinc/03/81/31/868038131.db2.gz UZMNSLXJQNOEKW-INIZCTEOSA-N 2 2 387.959 3.610 20 0 GHADLP CCc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097751 868162428 /nfs/dbraw/zinc/16/24/28/868162428.db2.gz XQQOFFLGCPDVIL-BJKOFHAPSA-N 2 2 399.623 3.977 20 0 GHADLP CCc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097751 868162435 /nfs/dbraw/zinc/16/24/35/868162435.db2.gz XQQOFFLGCPDVIL-BJKOFHAPSA-N 2 2 399.623 3.977 20 0 GHADLP CCC(=O)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097671 868162873 /nfs/dbraw/zinc/16/28/73/868162873.db2.gz WNUIVLVGMZPAEW-FCHUYYIVSA-N 2 2 399.579 3.689 20 0 GHADLP CCC(=O)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097671 868162880 /nfs/dbraw/zinc/16/28/80/868162880.db2.gz WNUIVLVGMZPAEW-FCHUYYIVSA-N 2 2 399.579 3.689 20 0 GHADLP C[C@@H]1CCC[C@H](CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000535115356 868194914 /nfs/dbraw/zinc/19/49/14/868194914.db2.gz IMEPJUMHIHNNOU-WAGURGNTSA-N 2 2 392.632 3.791 20 0 GHADLP C[C@@H]1CCC[C@H](CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000535115356 868194922 /nfs/dbraw/zinc/19/49/22/868194922.db2.gz IMEPJUMHIHNNOU-WAGURGNTSA-N 2 2 392.632 3.791 20 0 GHADLP C[C@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000156783197 868462285 /nfs/dbraw/zinc/46/22/85/868462285.db2.gz SOINGYVWMHJERZ-QGZVFWFLSA-N 2 2 393.522 3.525 20 0 GHADLP COC[C@@H](C)Oc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000667563408 868580038 /nfs/dbraw/zinc/58/00/38/868580038.db2.gz BXDZCIONDJSYCP-HXUWFJFHSA-N 2 2 397.563 3.634 20 0 GHADLP COC[C@@H](C)Oc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000667563408 868580041 /nfs/dbraw/zinc/58/00/41/868580041.db2.gz BXDZCIONDJSYCP-HXUWFJFHSA-N 2 2 397.563 3.634 20 0 GHADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000554123638 868787969 /nfs/dbraw/zinc/78/79/69/868787969.db2.gz NZZNGYOFBKATQE-XUZZJYLKSA-N 2 2 391.559 3.774 20 0 GHADLP CC(C)CO[C@H](C)c1noc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000121737477 882243064 /nfs/dbraw/zinc/24/30/64/882243064.db2.gz KOHYOBUYGKFUJZ-GOSISDBHSA-N 2 2 378.561 3.891 20 0 GHADLP CC[C@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535575544 869029553 /nfs/dbraw/zinc/02/95/53/869029553.db2.gz NDOIOILXAVYFBC-SFHVURJKSA-N 2 2 384.549 3.555 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)Cc1ccccc1 ZINC000524554164 869261841 /nfs/dbraw/zinc/26/18/41/869261841.db2.gz MQDJUYWDMBYHOG-QFIPXVFZSA-N 2 2 376.504 3.555 20 0 GHADLP Cc1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc2cccnc12 ZINC000428435010 869553657 /nfs/dbraw/zinc/55/36/57/869553657.db2.gz YGAJRUCREKUXDI-XMMPIXPASA-N 2 2 375.516 3.612 20 0 GHADLP Cc1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc2cccnc12 ZINC000428435010 869553663 /nfs/dbraw/zinc/55/36/63/869553663.db2.gz YGAJRUCREKUXDI-XMMPIXPASA-N 2 2 375.516 3.612 20 0 GHADLP Cc1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc2cccnc12 ZINC000428435010 869553672 /nfs/dbraw/zinc/55/36/72/869553672.db2.gz YGAJRUCREKUXDI-XMMPIXPASA-N 2 2 375.516 3.612 20 0 GHADLP Cc1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc2cccnc12 ZINC000428435010 869553682 /nfs/dbraw/zinc/55/36/82/869553682.db2.gz YGAJRUCREKUXDI-XMMPIXPASA-N 2 2 375.516 3.612 20 0 GHADLP C[N@@H+]1CC[C@H](CSc2nnc(C[NH+]3CCCC3)n2-c2ccc(Cl)cc2)C1 ZINC000190960440 882321188 /nfs/dbraw/zinc/32/11/88/882321188.db2.gz MBTQBODAYCWLHM-HNNXBMFYSA-N 2 2 391.972 3.560 20 0 GHADLP C[N@H+]1CC[C@H](CSc2nnc(C[NH+]3CCCC3)n2-c2ccc(Cl)cc2)C1 ZINC000190960440 882321207 /nfs/dbraw/zinc/32/12/07/882321207.db2.gz MBTQBODAYCWLHM-HNNXBMFYSA-N 2 2 391.972 3.560 20 0 GHADLP COc1ccc2oc(C[N@H+](C)C[C@]3(O)CC[NH+](Cc4ccccc4)C3)cc2c1 ZINC000428440933 869788139 /nfs/dbraw/zinc/78/81/39/869788139.db2.gz UKFWIJIOSBFJGU-HSZRJFAPSA-N 2 2 380.488 3.510 20 0 GHADLP COc1ccc2oc(C[N@@H+](C)C[C@]3(O)CC[NH+](Cc4ccccc4)C3)cc2c1 ZINC000428440933 869788151 /nfs/dbraw/zinc/78/81/51/869788151.db2.gz UKFWIJIOSBFJGU-HSZRJFAPSA-N 2 2 380.488 3.510 20 0 GHADLP COc1ccc2oc(C[NH+](C)C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2c1 ZINC000428440933 869788160 /nfs/dbraw/zinc/78/81/60/869788160.db2.gz UKFWIJIOSBFJGU-HSZRJFAPSA-N 2 2 380.488 3.510 20 0 GHADLP COc1ccc2oc(C[NH+](C)C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2c1 ZINC000428440933 869788167 /nfs/dbraw/zinc/78/81/67/869788167.db2.gz UKFWIJIOSBFJGU-HSZRJFAPSA-N 2 2 380.488 3.510 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(-c3cccnc3)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000539831419 869868552 /nfs/dbraw/zinc/86/85/52/869868552.db2.gz NFAIHEZHFBWTIC-GCJKJVERSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(-c3cccnc3)n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000539831419 869868561 /nfs/dbraw/zinc/86/85/61/869868561.db2.gz NFAIHEZHFBWTIC-GCJKJVERSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(-c3cccnc3)n[nH]2)CC[NH+]1Cc1ccccc1 ZINC000539831419 869868569 /nfs/dbraw/zinc/86/85/69/869868569.db2.gz NFAIHEZHFBWTIC-GCJKJVERSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(-c3cccnc3)n[nH]2)CC[NH+]1Cc1ccccc1 ZINC000539831419 869868577 /nfs/dbraw/zinc/86/85/77/869868577.db2.gz NFAIHEZHFBWTIC-GCJKJVERSA-N 2 2 375.520 3.957 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)CC2)c1 ZINC000462793604 870094980 /nfs/dbraw/zinc/09/49/80/870094980.db2.gz STJVTRMFVZPFBO-RJGXRXQPSA-N 2 2 385.596 3.692 20 0 GHADLP CC1(C)CN=C(N2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)S1 ZINC001192271355 870254502 /nfs/dbraw/zinc/25/45/02/870254502.db2.gz HBBXHJBMQUGBAC-UHFFFAOYSA-N 2 2 386.609 3.672 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)CC[C@@H]21 ZINC000248004198 870259592 /nfs/dbraw/zinc/25/95/92/870259592.db2.gz KQYQLSAUKHAKMS-NWSQWKLXSA-N 2 2 387.543 3.589 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)CC[C@@H]21 ZINC000248004198 870259605 /nfs/dbraw/zinc/25/96/05/870259605.db2.gz KQYQLSAUKHAKMS-NWSQWKLXSA-N 2 2 387.543 3.589 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)CC[C@@H]21 ZINC000248004198 870259619 /nfs/dbraw/zinc/25/96/19/870259619.db2.gz KQYQLSAUKHAKMS-NWSQWKLXSA-N 2 2 387.543 3.589 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)CC[C@@H]21 ZINC000248004198 870259622 /nfs/dbraw/zinc/25/96/22/870259622.db2.gz KQYQLSAUKHAKMS-NWSQWKLXSA-N 2 2 387.543 3.589 20 0 GHADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000446742659 870280264 /nfs/dbraw/zinc/28/02/64/870280264.db2.gz HFSXSULZMLJNQC-QHCPKHFHSA-N 2 2 386.503 3.753 20 0 GHADLP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1Cl ZINC000446753959 870300443 /nfs/dbraw/zinc/30/04/43/870300443.db2.gz VHCHNSBDOMZYJZ-BBRMVZONSA-N 2 2 375.738 3.600 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248431284 870415196 /nfs/dbraw/zinc/41/51/96/870415196.db2.gz SYBASYSZXMRSBK-MGPUTAFESA-N 2 2 376.907 3.723 20 0 GHADLP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1C ZINC000122102831 882416729 /nfs/dbraw/zinc/41/67/29/882416729.db2.gz JBVHVDIBZRGKPU-GOSISDBHSA-N 2 2 387.568 3.993 20 0 GHADLP CCCOc1c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cccc1OCC ZINC000538799282 870630538 /nfs/dbraw/zinc/63/05/38/870630538.db2.gz XICQXOICUUNIES-QKNQBKEWSA-N 2 2 376.541 3.558 20 0 GHADLP CCCOc1c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cccc1OCC ZINC000538799282 870630544 /nfs/dbraw/zinc/63/05/44/870630544.db2.gz XICQXOICUUNIES-QKNQBKEWSA-N 2 2 376.541 3.558 20 0 GHADLP CC(C)C[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000525409906 870645497 /nfs/dbraw/zinc/64/54/97/870645497.db2.gz XCEJARLMFHCWPN-QFIPXVFZSA-N 2 2 387.568 3.748 20 0 GHADLP CC(C)C[C@@H]1CCCCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000525409906 870645513 /nfs/dbraw/zinc/64/55/13/870645513.db2.gz XCEJARLMFHCWPN-QFIPXVFZSA-N 2 2 387.568 3.748 20 0 GHADLP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2nc3c(s2)CCC3)CC1)CC(C)C ZINC000540199035 870742561 /nfs/dbraw/zinc/74/25/61/870742561.db2.gz RXHOZURBGDXCBJ-UHFFFAOYSA-N 2 2 392.613 3.650 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2nc3c(s2)CCC3)CC1)CC(C)C ZINC000540199035 870742569 /nfs/dbraw/zinc/74/25/69/870742569.db2.gz RXHOZURBGDXCBJ-UHFFFAOYSA-N 2 2 392.613 3.650 20 0 GHADLP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000428460069 870772676 /nfs/dbraw/zinc/77/26/76/870772676.db2.gz FMYRQNDCNOIZOB-YSFYHYPLSA-N 2 2 379.552 3.702 20 0 GHADLP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428460069 870772688 /nfs/dbraw/zinc/77/26/88/870772688.db2.gz FMYRQNDCNOIZOB-YSFYHYPLSA-N 2 2 379.552 3.702 20 0 GHADLP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000122155019 882452838 /nfs/dbraw/zinc/45/28/38/882452838.db2.gz SHSGYDQWOUKLHP-UHFFFAOYSA-N 2 2 395.975 3.657 20 0 GHADLP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000122155019 882452843 /nfs/dbraw/zinc/45/28/43/882452843.db2.gz SHSGYDQWOUKLHP-UHFFFAOYSA-N 2 2 395.975 3.657 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cncc(C(F)(F)F)c1 ZINC000463107222 870898364 /nfs/dbraw/zinc/89/83/64/870898364.db2.gz LKALVKKGBSDHIE-UHFFFAOYSA-N 3 2 398.517 3.729 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cncc(C(F)(F)F)c1 ZINC000463107222 870898373 /nfs/dbraw/zinc/89/83/73/870898373.db2.gz LKALVKKGBSDHIE-UHFFFAOYSA-N 3 2 398.517 3.729 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168868097 870919702 /nfs/dbraw/zinc/91/97/02/870919702.db2.gz ZXBQUZUEGFUCOD-NQIIRXRSSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168868097 870919704 /nfs/dbraw/zinc/91/97/04/870919704.db2.gz ZXBQUZUEGFUCOD-NQIIRXRSSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000463104219 870930248 /nfs/dbraw/zinc/93/02/48/870930248.db2.gz YBFIICOPZRAYIQ-GOSISDBHSA-N 2 2 383.561 3.863 20 0 GHADLP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001169069048 871151847 /nfs/dbraw/zinc/15/18/47/871151847.db2.gz ADJQMSVFGXBMAW-TZRRMPRUSA-N 2 2 380.580 3.831 20 0 GHADLP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001169069048 871151858 /nfs/dbraw/zinc/15/18/58/871151858.db2.gz ADJQMSVFGXBMAW-TZRRMPRUSA-N 2 2 380.580 3.831 20 0 GHADLP CC(C)C[C@H](Cc1ccccc1)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001169069048 871151875 /nfs/dbraw/zinc/15/18/75/871151875.db2.gz ADJQMSVFGXBMAW-TZRRMPRUSA-N 2 2 380.580 3.831 20 0 GHADLP CC(C)C[C@H](Cc1ccccc1)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001169069048 871151883 /nfs/dbraw/zinc/15/18/83/871151883.db2.gz ADJQMSVFGXBMAW-TZRRMPRUSA-N 2 2 380.580 3.831 20 0 GHADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccccc1-n1c2ccccc2c2ccccc21 ZINC001169076109 871165448 /nfs/dbraw/zinc/16/54/48/871165448.db2.gz NJRHKTNIGCVZGY-QGZVFWFLSA-N 2 2 382.467 3.832 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C1)C2 ZINC001169126076 871214343 /nfs/dbraw/zinc/21/43/43/871214343.db2.gz ORXCBVVGZZPDAB-LRSLUSHPSA-N 2 2 399.579 3.776 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C1)C2 ZINC001169126076 871214355 /nfs/dbraw/zinc/21/43/55/871214355.db2.gz ORXCBVVGZZPDAB-LRSLUSHPSA-N 2 2 399.579 3.776 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C1)C2 ZINC001169126076 871214370 /nfs/dbraw/zinc/21/43/70/871214370.db2.gz ORXCBVVGZZPDAB-LRSLUSHPSA-N 2 2 399.579 3.776 20 0 GHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C1)C2 ZINC001169126076 871214387 /nfs/dbraw/zinc/21/43/87/871214387.db2.gz ORXCBVVGZZPDAB-LRSLUSHPSA-N 2 2 399.579 3.776 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539085471 871232884 /nfs/dbraw/zinc/23/28/84/871232884.db2.gz OHDBLDGJIXFCTE-NOHMWWQBSA-N 2 2 386.499 3.680 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC1)C2 ZINC001169142778 871252019 /nfs/dbraw/zinc/25/20/19/871252019.db2.gz VRSOCKDEMDKEJH-BTTYYORXSA-N 2 2 388.865 3.501 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC1)C2 ZINC001169142778 871252035 /nfs/dbraw/zinc/25/20/35/871252035.db2.gz VRSOCKDEMDKEJH-BTTYYORXSA-N 2 2 388.865 3.501 20 0 GHADLP NC(=O)C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000463267485 871294772 /nfs/dbraw/zinc/29/47/72/871294772.db2.gz OXVLBQAMEIQIKC-OAQYLSRUSA-N 2 2 385.939 3.553 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000428477845 871329869 /nfs/dbraw/zinc/32/98/69/871329869.db2.gz FPIHVIMNJLNCNH-CTNGQTDRSA-N 2 2 397.567 3.703 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000428477845 871329889 /nfs/dbraw/zinc/32/98/89/871329889.db2.gz FPIHVIMNJLNCNH-CTNGQTDRSA-N 2 2 397.567 3.703 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@@H]3CCC[N@@H+](C)[C@H]3c3cccs3)ccc2[nH+]1 ZINC000525747616 871335216 /nfs/dbraw/zinc/33/52/16/871335216.db2.gz PTKCMDHRJNLWIA-HNAYVOBHSA-N 2 2 383.521 3.909 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@@H]3CCC[N@H+](C)[C@H]3c3cccs3)ccc2[nH+]1 ZINC000525747616 871335234 /nfs/dbraw/zinc/33/52/34/871335234.db2.gz PTKCMDHRJNLWIA-HNAYVOBHSA-N 2 2 383.521 3.909 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000539117438 871341746 /nfs/dbraw/zinc/34/17/46/871341746.db2.gz OEYIYXPZGRBJJK-UHFFFAOYSA-N 2 2 393.531 3.563 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000539117438 871341766 /nfs/dbraw/zinc/34/17/66/871341766.db2.gz OEYIYXPZGRBJJK-UHFFFAOYSA-N 2 2 393.531 3.563 20 0 GHADLP O=C(OC1CCC([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC001169274427 871357646 /nfs/dbraw/zinc/35/76/46/871357646.db2.gz HJQCCPSZEINICN-UHFFFAOYSA-N 2 2 378.516 3.876 20 0 GHADLP O=C(OC1CCC(N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CC1)c1ccccc1 ZINC001169307404 871403895 /nfs/dbraw/zinc/40/38/95/871403895.db2.gz MZTZDIGTPZGCRR-UHFFFAOYSA-N 2 2 397.494 3.947 20 0 GHADLP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000461979815 871405623 /nfs/dbraw/zinc/40/56/23/871405623.db2.gz GCHGLOQFWUDCSK-XMMPIXPASA-N 2 2 391.559 3.776 20 0 GHADLP CCOC(=O)N1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001169702294 871785572 /nfs/dbraw/zinc/78/55/72/871785572.db2.gz AXSFLSLBAJRNCK-HXUWFJFHSA-N 2 2 391.531 3.733 20 0 GHADLP CCOC(=O)N1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001169702294 871785585 /nfs/dbraw/zinc/78/55/85/871785585.db2.gz AXSFLSLBAJRNCK-HXUWFJFHSA-N 2 2 391.531 3.733 20 0 GHADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000163039702 871854170 /nfs/dbraw/zinc/85/41/70/871854170.db2.gz MIJPAZBVWFFMQM-GOSISDBHSA-N 2 2 385.581 3.670 20 0 GHADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000447566046 871877033 /nfs/dbraw/zinc/87/70/33/871877033.db2.gz PVPJRGOGRMFPSJ-HFAKWTLXSA-N 2 2 392.712 3.763 20 0 GHADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000447566046 871877052 /nfs/dbraw/zinc/87/70/52/871877052.db2.gz PVPJRGOGRMFPSJ-HFAKWTLXSA-N 2 2 392.712 3.763 20 0 GHADLP Cn1c[nH+]cc1-c1cccc(C(=O)NCC2CC[NH+](C3CCCCC3)CC2)c1 ZINC001194917758 872031642 /nfs/dbraw/zinc/03/16/42/872031642.db2.gz QTCXMKPOXJRLFX-UHFFFAOYSA-N 2 2 380.536 3.862 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCC(C4CC4)CC3)CC2)cc1 ZINC001194891509 872042895 /nfs/dbraw/zinc/04/28/95/872042895.db2.gz YXNQENLAWZVRPV-UHFFFAOYSA-N 2 2 383.580 3.576 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000540886637 872388070 /nfs/dbraw/zinc/38/80/70/872388070.db2.gz PTOZZQGIBYFVOA-GOSISDBHSA-N 2 2 389.503 3.572 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000540886637 872388088 /nfs/dbraw/zinc/38/80/88/872388088.db2.gz PTOZZQGIBYFVOA-GOSISDBHSA-N 2 2 389.503 3.572 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000526988645 872427780 /nfs/dbraw/zinc/42/77/80/872427780.db2.gz OTNICVJTFWLJGE-UHFFFAOYSA-N 2 2 383.883 3.668 20 0 GHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC(=O)N(C)C)CCS2 ZINC000552334092 872459768 /nfs/dbraw/zinc/45/97/68/872459768.db2.gz YPBNDYYSMMLEQY-DLZDZTESSA-N 2 2 387.593 3.514 20 0 GHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC(=O)N(C)C)CCS2 ZINC000552334092 872459777 /nfs/dbraw/zinc/45/97/77/872459777.db2.gz YPBNDYYSMMLEQY-DLZDZTESSA-N 2 2 387.593 3.514 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCc2ccc(Cl)nc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000857904072 882627882 /nfs/dbraw/zinc/62/78/82/882627882.db2.gz AGEXUPIZKMKZAN-KDOFPFPSSA-N 2 2 388.918 3.964 20 0 GHADLP CC(C)(C)OC(=O)C[C@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001195795760 872668892 /nfs/dbraw/zinc/66/88/92/872668892.db2.gz BRFCDRBRTUCNBY-OAQYLSRUSA-N 2 2 388.552 3.605 20 0 GHADLP CC(C)(C)OC(=O)C[C@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001195795760 872668897 /nfs/dbraw/zinc/66/88/97/872668897.db2.gz BRFCDRBRTUCNBY-OAQYLSRUSA-N 2 2 388.552 3.605 20 0 GHADLP COc1ccccc1C[NH+]1CCC([NH2+]C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001169974710 872813744 /nfs/dbraw/zinc/81/37/44/872813744.db2.gz LOXXBEKYKFKKPK-UHFFFAOYSA-N 2 2 375.557 3.660 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c3ccccc3)C1)C2 ZINC000527235919 872849782 /nfs/dbraw/zinc/84/97/82/872849782.db2.gz UCTAQPBEYDPWNI-BHIYHBOVSA-N 2 2 380.536 3.590 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)c3ccccc3)C1)C2 ZINC000527235919 872849789 /nfs/dbraw/zinc/84/97/89/872849789.db2.gz UCTAQPBEYDPWNI-BHIYHBOVSA-N 2 2 380.536 3.590 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c3ccccc3)C1)CC2 ZINC000527235919 872849795 /nfs/dbraw/zinc/84/97/95/872849795.db2.gz UCTAQPBEYDPWNI-BHIYHBOVSA-N 2 2 380.536 3.590 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)c3ccccc3)C1)CC2 ZINC000527235919 872849800 /nfs/dbraw/zinc/84/98/00/872849800.db2.gz UCTAQPBEYDPWNI-BHIYHBOVSA-N 2 2 380.536 3.590 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc3ccn(CC[NH+](C)C)c3c1)C2 ZINC000527248135 872865609 /nfs/dbraw/zinc/86/56/09/872865609.db2.gz FWGFAVSAMAWVIP-QGZVFWFLSA-N 2 2 393.535 3.793 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc3ccn(CC[NH+](C)C)c3c1)CC2 ZINC000527248135 872865621 /nfs/dbraw/zinc/86/56/21/872865621.db2.gz FWGFAVSAMAWVIP-QGZVFWFLSA-N 2 2 393.535 3.793 20 0 GHADLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC001196936701 873488316 /nfs/dbraw/zinc/48/83/16/873488316.db2.gz TXYWZDUUPKMKBZ-NRFANRHFSA-N 2 2 380.536 3.936 20 0 GHADLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC001196936701 873488321 /nfs/dbraw/zinc/48/83/21/873488321.db2.gz TXYWZDUUPKMKBZ-NRFANRHFSA-N 2 2 380.536 3.936 20 0 GHADLP C[NH+](C)C1(CNC(=S)Nc2ccc(Oc3ccccc3)cc2)CC[NH+](C)CC1 ZINC001197059047 873544231 /nfs/dbraw/zinc/54/42/31/873544231.db2.gz BQNMVCSVGQPORM-UHFFFAOYSA-N 2 2 398.576 3.791 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527869395 873697701 /nfs/dbraw/zinc/69/77/01/873697701.db2.gz QPGHAEWKPAVHQB-WTOYTKOKSA-N 2 2 388.914 3.939 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527869395 873697704 /nfs/dbraw/zinc/69/77/04/873697704.db2.gz QPGHAEWKPAVHQB-WTOYTKOKSA-N 2 2 388.914 3.939 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527888804 873718533 /nfs/dbraw/zinc/71/85/33/873718533.db2.gz VPNVNZXSZYPEGO-XMSQKQJNSA-N 2 2 390.531 3.505 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527888804 873718544 /nfs/dbraw/zinc/71/85/44/873718544.db2.gz VPNVNZXSZYPEGO-XMSQKQJNSA-N 2 2 390.531 3.505 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1OC ZINC000527948525 873794739 /nfs/dbraw/zinc/79/47/39/873794739.db2.gz LTMKELDTQYAHNH-FXAWDEMLSA-N 2 2 376.541 3.778 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1OC ZINC000527948525 873794751 /nfs/dbraw/zinc/79/47/51/873794751.db2.gz LTMKELDTQYAHNH-FXAWDEMLSA-N 2 2 376.541 3.778 20 0 GHADLP COc1cc2c(cc1OC)[C@H](C)[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC001197497558 873870957 /nfs/dbraw/zinc/87/09/57/873870957.db2.gz SXXWNYNJTNGMSD-SFHVURJKSA-N 2 2 396.531 3.655 20 0 GHADLP COc1cc2c(cc1OC)[C@H](C)[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC001197497558 873870968 /nfs/dbraw/zinc/87/09/68/873870968.db2.gz SXXWNYNJTNGMSD-SFHVURJKSA-N 2 2 396.531 3.655 20 0 GHADLP C[C@H]1CCN(C(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)CCC1(F)F ZINC001198016984 874164848 /nfs/dbraw/zinc/16/48/48/874164848.db2.gz BTUASWMXDRBVNJ-KRWDZBQOSA-N 2 2 381.511 3.578 20 0 GHADLP C[C@H]1CCN(C(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)CCC1(F)F ZINC001198016984 874164854 /nfs/dbraw/zinc/16/48/54/874164854.db2.gz BTUASWMXDRBVNJ-KRWDZBQOSA-N 2 2 381.511 3.578 20 0 GHADLP Cc1nc2c(cccc2NC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)o1 ZINC001198021147 874183991 /nfs/dbraw/zinc/18/39/91/874183991.db2.gz FMTMDCUPAJWAMF-UHFFFAOYSA-N 2 2 380.492 3.772 20 0 GHADLP Cc1nc2c(cccc2NC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)o1 ZINC001198021147 874183994 /nfs/dbraw/zinc/18/39/94/874183994.db2.gz FMTMDCUPAJWAMF-UHFFFAOYSA-N 2 2 380.492 3.772 20 0 GHADLP CN(C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1)[C@@H]1CCc2ccccc21 ZINC001198022578 874184248 /nfs/dbraw/zinc/18/42/48/874184248.db2.gz WPPZSCLPGHCZKN-HSZRJFAPSA-N 2 2 379.548 3.830 20 0 GHADLP CN(C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1)[C@@H]1CCc2ccccc21 ZINC001198022578 874184253 /nfs/dbraw/zinc/18/42/53/874184253.db2.gz WPPZSCLPGHCZKN-HSZRJFAPSA-N 2 2 379.548 3.830 20 0 GHADLP COc1cc(C)c(NC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)cc1C ZINC001198031412 874189399 /nfs/dbraw/zinc/18/93/99/874189399.db2.gz UTHZGVULKIYJSB-UHFFFAOYSA-N 2 2 383.536 3.948 20 0 GHADLP COc1cc(C)c(NC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)cc1C ZINC001198031412 874189404 /nfs/dbraw/zinc/18/94/04/874189404.db2.gz UTHZGVULKIYJSB-UHFFFAOYSA-N 2 2 383.536 3.948 20 0 GHADLP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCc4cc(F)c(F)c(F)c43)cc2)CC1 ZINC000449084435 874434917 /nfs/dbraw/zinc/43/49/17/874434917.db2.gz XWOOCBLOAQSRSD-IBGZPJMESA-N 2 2 389.465 3.628 20 0 GHADLP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4cc(F)c(F)c(F)c43)cc2)CC1 ZINC000449084435 874434921 /nfs/dbraw/zinc/43/49/21/874434921.db2.gz XWOOCBLOAQSRSD-IBGZPJMESA-N 2 2 389.465 3.628 20 0 GHADLP CC(C)[C@H](C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000449072728 874452468 /nfs/dbraw/zinc/45/24/68/874452468.db2.gz GJWMKRUNSYODKG-NRFANRHFSA-N 3 2 380.665 3.527 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000449194221 874567706 /nfs/dbraw/zinc/56/77/06/874567706.db2.gz UGWFUKGZWOZSAL-NHCUHLMSSA-N 3 2 379.633 3.633 20 0 GHADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2C(F)(F)F)CC1 ZINC000449202916 874600352 /nfs/dbraw/zinc/60/03/52/874600352.db2.gz KUZCQZJSUTYCGN-OAHLLOKOSA-N 2 2 380.458 3.624 20 0 GHADLP CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000464842089 874611590 /nfs/dbraw/zinc/61/15/90/874611590.db2.gz FBZLOSDAJPHMDA-UNMCSNQZSA-N 2 2 379.548 3.882 20 0 GHADLP CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000464842089 874611595 /nfs/dbraw/zinc/61/15/95/874611595.db2.gz FBZLOSDAJPHMDA-UNMCSNQZSA-N 2 2 379.548 3.882 20 0 GHADLP CCN(C(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000464842089 874611599 /nfs/dbraw/zinc/61/15/99/874611599.db2.gz FBZLOSDAJPHMDA-UNMCSNQZSA-N 2 2 379.548 3.882 20 0 GHADLP CCN(C(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000464842089 874611606 /nfs/dbraw/zinc/61/16/06/874611606.db2.gz FBZLOSDAJPHMDA-UNMCSNQZSA-N 2 2 379.548 3.882 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843453 874619034 /nfs/dbraw/zinc/61/90/34/874619034.db2.gz VACCQHGZVFQMFX-OFNKIYASSA-N 2 2 395.547 3.866 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843453 874619045 /nfs/dbraw/zinc/61/90/45/874619045.db2.gz VACCQHGZVFQMFX-OFNKIYASSA-N 2 2 395.547 3.866 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843453 874619053 /nfs/dbraw/zinc/61/90/53/874619053.db2.gz VACCQHGZVFQMFX-OFNKIYASSA-N 2 2 395.547 3.866 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843453 874619064 /nfs/dbraw/zinc/61/90/64/874619064.db2.gz VACCQHGZVFQMFX-OFNKIYASSA-N 2 2 395.547 3.866 20 0 GHADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC001198900143 874682612 /nfs/dbraw/zinc/68/26/12/874682612.db2.gz GGCOGKLSWFPGSB-QHCPKHFHSA-N 2 2 386.511 3.851 20 0 GHADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC001198900143 874682617 /nfs/dbraw/zinc/68/26/17/874682617.db2.gz GGCOGKLSWFPGSB-QHCPKHFHSA-N 2 2 386.511 3.851 20 0 GHADLP CC[NH+](CC)Cc1cncc(NCCSCc2csc(C[NH+](C)C)n2)c1 ZINC001168108100 874684412 /nfs/dbraw/zinc/68/44/12/874684412.db2.gz AUBOFTALGVQRMD-UHFFFAOYSA-N 2 2 393.626 3.787 20 0 GHADLP Clc1ccc(-n2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)nn2)cc1Cl ZINC000542003251 874712254 /nfs/dbraw/zinc/71/22/54/874712254.db2.gz XOGXVLLZAFFGGC-UHFFFAOYSA-N 2 2 394.350 3.882 20 0 GHADLP Cn1cc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c(Br)n1 ZINC000858116365 882857293 /nfs/dbraw/zinc/85/72/93/882857293.db2.gz LUPLODABROHIOD-UHFFFAOYSA-N 2 2 391.357 3.848 20 0 GHADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cc(Cl)cc(Br)c2)C[C@@H](C)O1 ZINC001199085754 874800227 /nfs/dbraw/zinc/80/02/27/874800227.db2.gz NXRYIZKUORWZSG-CHWSQXEVSA-N 2 2 375.738 3.691 20 0 GHADLP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cn(C)nc3Br)c2)CC1 ZINC000858127841 882865919 /nfs/dbraw/zinc/86/59/19/882865919.db2.gz RMJWSFOQPVEHJM-UHFFFAOYSA-N 2 2 391.357 3.704 20 0 GHADLP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cn(-c4ccccc4)nn3)cc2)CC1 ZINC001199110981 874824513 /nfs/dbraw/zinc/82/45/13/874824513.db2.gz RZFNTGLIFCPXBZ-UHFFFAOYSA-N 2 2 375.520 3.789 20 0 GHADLP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475729999 882873715 /nfs/dbraw/zinc/87/37/15/882873715.db2.gz PFKQIRQWFNLINM-QPPBQGQZSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475729999 882873734 /nfs/dbraw/zinc/87/37/34/882873734.db2.gz PFKQIRQWFNLINM-QPPBQGQZSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475729999 882873752 /nfs/dbraw/zinc/87/37/52/882873752.db2.gz PFKQIRQWFNLINM-QPPBQGQZSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475729999 882873769 /nfs/dbraw/zinc/87/37/69/882873769.db2.gz PFKQIRQWFNLINM-QPPBQGQZSA-N 2 2 383.580 3.622 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)ccc2[nH+]1 ZINC001199768330 875173080 /nfs/dbraw/zinc/17/30/80/875173080.db2.gz YNBQSQNYWOCDPS-LPHOPBHVSA-N 2 2 377.492 3.532 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)ccc2[nH+]1 ZINC001199768330 875173082 /nfs/dbraw/zinc/17/30/82/875173082.db2.gz YNBQSQNYWOCDPS-LPHOPBHVSA-N 2 2 377.492 3.532 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000237662925 882930191 /nfs/dbraw/zinc/93/01/91/882930191.db2.gz PSNPPOROADWBGN-HUUCEWRRSA-N 2 2 382.346 3.630 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c(C)c1 ZINC000542450303 875593900 /nfs/dbraw/zinc/59/39/00/875593900.db2.gz GOKOUYPMDZTVMM-IRLDBZIGSA-N 2 2 397.567 3.805 20 0 GHADLP Cc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000491382533 875661701 /nfs/dbraw/zinc/66/17/01/875661701.db2.gz QLTHNALMOMCIDE-JOCHJYFZSA-N 2 2 397.544 3.673 20 0 GHADLP CC(C)(C)OC(=O)NC1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001201609259 875784551 /nfs/dbraw/zinc/78/45/51/875784551.db2.gz FJRZJVAJTSRONV-UHFFFAOYSA-N 2 2 387.568 3.683 20 0 GHADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)CCO1 ZINC001201676202 875809111 /nfs/dbraw/zinc/80/91/11/875809111.db2.gz NPIFETKAFSFIQH-YLJYHZDGSA-N 2 2 377.916 3.909 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529567257 876339835 /nfs/dbraw/zinc/33/98/35/876339835.db2.gz KTMXUIWGTKTXAA-UHFFFAOYSA-N 2 2 380.315 3.619 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529567257 876339850 /nfs/dbraw/zinc/33/98/50/876339850.db2.gz KTMXUIWGTKTXAA-UHFFFAOYSA-N 2 2 380.315 3.619 20 0 GHADLP CCOC(=O)c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc1 ZINC000450458315 876463658 /nfs/dbraw/zinc/46/36/58/876463658.db2.gz XVUFRAOPPRANLX-XMMPIXPASA-N 2 2 393.531 3.746 20 0 GHADLP CCOC(=O)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc1 ZINC000450458315 876463665 /nfs/dbraw/zinc/46/36/65/876463665.db2.gz XVUFRAOPPRANLX-XMMPIXPASA-N 2 2 393.531 3.746 20 0 GHADLP CCOC(=O)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc1 ZINC000450458315 876463670 /nfs/dbraw/zinc/46/36/70/876463670.db2.gz XVUFRAOPPRANLX-XMMPIXPASA-N 2 2 393.531 3.746 20 0 GHADLP CCOC(=O)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc1 ZINC000450458315 876463674 /nfs/dbraw/zinc/46/36/74/876463674.db2.gz XVUFRAOPPRANLX-XMMPIXPASA-N 2 2 393.531 3.746 20 0 GHADLP OC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)c(F)c1 ZINC000492258875 876521604 /nfs/dbraw/zinc/52/16/04/876521604.db2.gz NVMZQUAALVLCBR-GOSISDBHSA-N 2 2 390.256 3.597 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)C[C@H]1c1ccccc1 ZINC000551006781 883038143 /nfs/dbraw/zinc/03/81/43/883038143.db2.gz YXYBHUIBKGMMHR-PMVMPFDFSA-N 2 2 393.531 3.729 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)C[C@H]1c1ccccc1 ZINC000551006781 883038158 /nfs/dbraw/zinc/03/81/58/883038158.db2.gz YXYBHUIBKGMMHR-PMVMPFDFSA-N 2 2 393.531 3.729 20 0 GHADLP Cc1ccc(Cl)cc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000174484959 877050236 /nfs/dbraw/zinc/05/02/36/877050236.db2.gz MMOOKLHCPOMJRE-UHFFFAOYSA-N 2 2 378.948 3.720 20 0 GHADLP CCN(C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000134892695 883093567 /nfs/dbraw/zinc/09/35/67/883093567.db2.gz PETNEKPQTFHVKP-SFGWALBWSA-N 2 2 387.543 3.684 20 0 GHADLP CCN(C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000134892695 883093581 /nfs/dbraw/zinc/09/35/81/883093581.db2.gz PETNEKPQTFHVKP-SFGWALBWSA-N 2 2 387.543 3.684 20 0 GHADLP CCN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000134892695 883093599 /nfs/dbraw/zinc/09/35/99/883093599.db2.gz PETNEKPQTFHVKP-SFGWALBWSA-N 2 2 387.543 3.684 20 0 GHADLP CCN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000134892695 883093613 /nfs/dbraw/zinc/09/36/13/883093613.db2.gz PETNEKPQTFHVKP-SFGWALBWSA-N 2 2 387.543 3.684 20 0 GHADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134919613 883110433 /nfs/dbraw/zinc/11/04/33/883110433.db2.gz IRJJSAJSKSESIC-IRLDBZIGSA-N 2 2 383.580 3.762 20 0 GHADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134919613 883110439 /nfs/dbraw/zinc/11/04/39/883110439.db2.gz IRJJSAJSKSESIC-IRLDBZIGSA-N 2 2 383.580 3.762 20 0 GHADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134919613 883110447 /nfs/dbraw/zinc/11/04/47/883110447.db2.gz IRJJSAJSKSESIC-IRLDBZIGSA-N 2 2 383.580 3.762 20 0 GHADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134919613 883110452 /nfs/dbraw/zinc/11/04/52/883110452.db2.gz IRJJSAJSKSESIC-IRLDBZIGSA-N 2 2 383.580 3.762 20 0 GHADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000391820132 877306493 /nfs/dbraw/zinc/30/64/93/877306493.db2.gz HCHWLWMAXFKMFE-PHIMTYICSA-N 2 2 376.715 3.517 20 0 GHADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000391820132 877306509 /nfs/dbraw/zinc/30/65/09/877306509.db2.gz HCHWLWMAXFKMFE-PHIMTYICSA-N 2 2 376.715 3.517 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000787301672 877327968 /nfs/dbraw/zinc/32/79/68/877327968.db2.gz CCSGXOQOINCAAH-PGRDOPGGSA-N 2 2 383.536 3.505 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000787301672 877327976 /nfs/dbraw/zinc/32/79/76/877327976.db2.gz CCSGXOQOINCAAH-PGRDOPGGSA-N 2 2 383.536 3.505 20 0 GHADLP Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)c2cc1C(C)C ZINC000787675915 877521984 /nfs/dbraw/zinc/52/19/84/877521984.db2.gz MGRAHZQHJNMSCS-FQEVSTJZSA-N 2 2 398.547 3.912 20 0 GHADLP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)c2cc1C(C)C ZINC000787675915 877521994 /nfs/dbraw/zinc/52/19/94/877521994.db2.gz MGRAHZQHJNMSCS-FQEVSTJZSA-N 2 2 398.547 3.912 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)[C@H](C)C1 ZINC000245433538 877873366 /nfs/dbraw/zinc/87/33/66/877873366.db2.gz PHQQWQSYTQUJAR-QMHWCDLVSA-N 2 2 399.604 3.924 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)[C@H](C)C1 ZINC000245433538 877873380 /nfs/dbraw/zinc/87/33/80/877873380.db2.gz PHQQWQSYTQUJAR-QMHWCDLVSA-N 2 2 399.604 3.924 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)[C@H](C)C1 ZINC000245433538 877873392 /nfs/dbraw/zinc/87/33/92/877873392.db2.gz PHQQWQSYTQUJAR-QMHWCDLVSA-N 2 2 399.604 3.924 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)[C@H](C)C1 ZINC000245433538 877873408 /nfs/dbraw/zinc/87/34/08/877873408.db2.gz PHQQWQSYTQUJAR-QMHWCDLVSA-N 2 2 399.604 3.924 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527157 878092781 /nfs/dbraw/zinc/09/27/81/878092781.db2.gz JQCGPZCYCJWGLK-GCJKJVERSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527157 878092803 /nfs/dbraw/zinc/09/28/03/878092803.db2.gz JQCGPZCYCJWGLK-GCJKJVERSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527157 878092823 /nfs/dbraw/zinc/09/28/23/878092823.db2.gz JQCGPZCYCJWGLK-GCJKJVERSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527157 878092842 /nfs/dbraw/zinc/09/28/42/878092842.db2.gz JQCGPZCYCJWGLK-GCJKJVERSA-N 2 2 389.971 3.594 20 0 GHADLP CCOCN(C(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1c(C)cccc1CC ZINC000788485441 878095873 /nfs/dbraw/zinc/09/58/73/878095873.db2.gz KQIASJSKUZGCRH-GHTZIAJQSA-N 2 2 398.551 3.664 20 0 GHADLP CCOCN(C(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1c(C)cccc1CC ZINC000788485441 878095894 /nfs/dbraw/zinc/09/58/94/878095894.db2.gz KQIASJSKUZGCRH-GHTZIAJQSA-N 2 2 398.551 3.664 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000245590699 878160171 /nfs/dbraw/zinc/16/01/71/878160171.db2.gz KQAJLYZNCHXQMX-SUNYJGFJSA-N 2 2 395.334 3.950 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000245590699 878160184 /nfs/dbraw/zinc/16/01/84/878160184.db2.gz KQAJLYZNCHXQMX-SUNYJGFJSA-N 2 2 395.334 3.950 20 0 GHADLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3COC4(CCCCCC4)O3)CC2)cc1 ZINC000180011678 878328162 /nfs/dbraw/zinc/32/81/62/878328162.db2.gz OAMFEKPXWMQSPX-QFIPXVFZSA-N 2 2 383.536 3.578 20 0 GHADLP CN(C(=O)Cc1c[nH]c2ccccc12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245686133 878374199 /nfs/dbraw/zinc/37/41/99/878374199.db2.gz IOFQEAVFOCECHB-XZOQPEGZSA-N 2 2 396.579 3.506 20 0 GHADLP CN(C(=O)Cc1c[nH]c2ccccc12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245686133 878374213 /nfs/dbraw/zinc/37/42/13/878374213.db2.gz IOFQEAVFOCECHB-XZOQPEGZSA-N 2 2 396.579 3.506 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000245719561 878467411 /nfs/dbraw/zinc/46/74/11/878467411.db2.gz PJQLEMUXMCNJJX-WTOYTKOKSA-N 2 2 389.559 3.725 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000245719561 878467420 /nfs/dbraw/zinc/46/74/20/878467420.db2.gz PJQLEMUXMCNJJX-WTOYTKOKSA-N 2 2 389.559 3.725 20 0 GHADLP CN(C(=O)CCCc1cccs1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245750200 878541022 /nfs/dbraw/zinc/54/10/22/878541022.db2.gz XGHDHQKDXVJLPQ-LEWJYISDSA-N 2 2 391.625 3.866 20 0 GHADLP CN(C(=O)CCCc1cccs1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245750200 878541031 /nfs/dbraw/zinc/54/10/31/878541031.db2.gz XGHDHQKDXVJLPQ-LEWJYISDSA-N 2 2 391.625 3.866 20 0 GHADLP Cc1cc(C)n2c(C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cnc2n1 ZINC000245772431 878573422 /nfs/dbraw/zinc/57/34/22/878573422.db2.gz SBWLLCIJQTVMKP-RXVVDRJESA-N 2 2 377.536 3.831 20 0 GHADLP Cc1cc(C)n2c(C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cnc2n1 ZINC000245772431 878573431 /nfs/dbraw/zinc/57/34/31/878573431.db2.gz SBWLLCIJQTVMKP-RXVVDRJESA-N 2 2 377.536 3.831 20 0 GHADLP Cc1cc(C)n2c(C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cnc2n1 ZINC000245772431 878573445 /nfs/dbraw/zinc/57/34/45/878573445.db2.gz SBWLLCIJQTVMKP-RXVVDRJESA-N 2 2 377.536 3.831 20 0 GHADLP Cc1cc(C)n2c(C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cnc2n1 ZINC000245772431 878573456 /nfs/dbraw/zinc/57/34/56/878573456.db2.gz SBWLLCIJQTVMKP-RXVVDRJESA-N 2 2 377.536 3.831 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)c1 ZINC000537952059 878577427 /nfs/dbraw/zinc/57/74/27/878577427.db2.gz OJBJMCICLGYICQ-XMSQKQJNSA-N 2 2 397.544 3.996 20 0 GHADLP Cc1cc2oc(=O)cc(C[N@@H+]3CCO[C@@H](CCC[NH+](C)C)C3)c2cc1C(C)C ZINC000852760368 878583153 /nfs/dbraw/zinc/58/31/53/878583153.db2.gz DLPOYHJOVMPLFI-IBGZPJMESA-N 2 2 386.536 3.767 20 0 GHADLP Cc1cc2oc(=O)cc(C[N@H+]3CCO[C@@H](CCC[NH+](C)C)C3)c2cc1C(C)C ZINC000852760368 878583167 /nfs/dbraw/zinc/58/31/67/878583167.db2.gz DLPOYHJOVMPLFI-IBGZPJMESA-N 2 2 386.536 3.767 20 0 GHADLP CC(C)[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000538101280 878810778 /nfs/dbraw/zinc/81/07/78/878810778.db2.gz ULIBMCBSPWOOND-MOPGFXCFSA-N 2 2 399.501 3.935 20 0 GHADLP CC(C)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000538101280 878810791 /nfs/dbraw/zinc/81/07/91/878810791.db2.gz ULIBMCBSPWOOND-MOPGFXCFSA-N 2 2 399.501 3.935 20 0 GHADLP COC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)c(F)c1 ZINC000246084140 878948664 /nfs/dbraw/zinc/94/86/64/878948664.db2.gz VQTJHXWZRRYUOC-KSFYIVLOSA-N 2 2 390.474 3.663 20 0 GHADLP COC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)c(F)c1 ZINC000246084140 878948675 /nfs/dbraw/zinc/94/86/75/878948675.db2.gz VQTJHXWZRRYUOC-KSFYIVLOSA-N 2 2 390.474 3.663 20 0 GHADLP C[C@@]1(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000616561678 878970439 /nfs/dbraw/zinc/97/04/39/878970439.db2.gz FIFBPFXOTVFURV-XUZZJYLKSA-N 2 2 388.515 3.713 20 0 GHADLP C[C@@]1(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000616561678 878970463 /nfs/dbraw/zinc/97/04/63/878970463.db2.gz FIFBPFXOTVFURV-XUZZJYLKSA-N 2 2 388.515 3.713 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2)C1 ZINC000531202400 879317727 /nfs/dbraw/zinc/31/77/27/879317727.db2.gz FXHNSRNHFSRVFM-GOSISDBHSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2)C1 ZINC000531202400 879317743 /nfs/dbraw/zinc/31/77/43/879317743.db2.gz FXHNSRNHFSRVFM-GOSISDBHSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2)C1 ZINC000531202400 879317765 /nfs/dbraw/zinc/31/77/65/879317765.db2.gz FXHNSRNHFSRVFM-GOSISDBHSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2)C1 ZINC000531202400 879317786 /nfs/dbraw/zinc/31/77/86/879317786.db2.gz FXHNSRNHFSRVFM-GOSISDBHSA-N 2 2 395.551 3.731 20 0 GHADLP CN(C(=O)Nc1ccccc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246393472 879506899 /nfs/dbraw/zinc/50/68/99/879506899.db2.gz HPQNWCVIVMULFN-WOJBJXKFSA-N 2 2 376.520 3.627 20 0 GHADLP CN(C(=O)Nc1ccccc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246393472 879506912 /nfs/dbraw/zinc/50/69/12/879506912.db2.gz HPQNWCVIVMULFN-WOJBJXKFSA-N 2 2 376.520 3.627 20 0 GHADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790314795 879592458 /nfs/dbraw/zinc/59/24/58/879592458.db2.gz PCBSTYYGMGACIM-DEOSSOPVSA-N 2 2 391.559 3.774 20 0 GHADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790314795 879592473 /nfs/dbraw/zinc/59/24/73/879592473.db2.gz PCBSTYYGMGACIM-DEOSSOPVSA-N 2 2 391.559 3.774 20 0 GHADLP CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@@H+]1CCc1c[nH+]cn1C ZINC001168459725 879643393 /nfs/dbraw/zinc/64/33/93/879643393.db2.gz UPHWOEXHJNTEGU-LJQANCHMSA-N 2 2 380.458 3.972 20 0 GHADLP CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@H+]1CCc1c[nH+]cn1C ZINC001168459725 879643399 /nfs/dbraw/zinc/64/33/99/879643399.db2.gz UPHWOEXHJNTEGU-LJQANCHMSA-N 2 2 380.458 3.972 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000246564682 879689186 /nfs/dbraw/zinc/68/91/86/879689186.db2.gz XJDJEWPBSYIULJ-SIKLNZKXSA-N 2 2 390.531 3.899 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000246564682 879689196 /nfs/dbraw/zinc/68/91/96/879689196.db2.gz XJDJEWPBSYIULJ-SIKLNZKXSA-N 2 2 390.531 3.899 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH2+][C@H](Cc2ccccc2)C(=O)NCc2ccccc2)CC1 ZINC000538555178 879705924 /nfs/dbraw/zinc/70/59/24/879705924.db2.gz PNGQRLKAHKCZGL-HSZRJFAPSA-N 2 2 393.575 3.767 20 0 GHADLP CC(=O)c1cccc(NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000184745561 879868766 /nfs/dbraw/zinc/86/87/66/879868766.db2.gz JMBJYZDZRFJZDW-ROUUACIJSA-N 2 2 393.531 3.574 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000247024868 879890355 /nfs/dbraw/zinc/89/03/55/879890355.db2.gz LWFUMHLGMHNBLO-XMSQKQJNSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000247024868 879890368 /nfs/dbraw/zinc/89/03/68/879890368.db2.gz LWFUMHLGMHNBLO-XMSQKQJNSA-N 2 2 380.536 3.798 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000247216273 879943600 /nfs/dbraw/zinc/94/36/00/879943600.db2.gz XGVWYEZWDZQXQI-QMMLZNLJSA-N 2 2 381.520 3.804 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000247216273 879943611 /nfs/dbraw/zinc/94/36/11/879943611.db2.gz XGVWYEZWDZQXQI-QMMLZNLJSA-N 2 2 381.520 3.804 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247781852 880066493 /nfs/dbraw/zinc/06/64/93/880066493.db2.gz XSYWULLHWKXGGO-JKIFEVAISA-N 2 2 380.414 3.812 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247781852 880066501 /nfs/dbraw/zinc/06/65/01/880066501.db2.gz XSYWULLHWKXGGO-JKIFEVAISA-N 2 2 380.414 3.812 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000247856627 880076866 /nfs/dbraw/zinc/07/68/66/880076866.db2.gz YGEJOPITOSBJLD-FGZHOGPDSA-N 2 2 399.485 3.736 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000247856627 880076869 /nfs/dbraw/zinc/07/68/69/880076869.db2.gz YGEJOPITOSBJLD-FGZHOGPDSA-N 2 2 399.485 3.736 20 0 GHADLP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1nc(C(C)(C)C)cs1 ZINC000184687145 880363972 /nfs/dbraw/zinc/36/39/72/880363972.db2.gz WIKQJUXBWNYOIG-RDJZCZTQSA-N 2 2 388.581 3.510 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ncc(-c2ccccc2)n1C ZINC000453073618 880425084 /nfs/dbraw/zinc/42/50/84/880425084.db2.gz ZXCGSKUTGIWXMN-IBGZPJMESA-N 2 2 390.531 3.770 20 0 GHADLP C[C@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000531943969 880763831 /nfs/dbraw/zinc/76/38/31/880763831.db2.gz MJHBRSAMOMZOJW-AVRDEDQJSA-N 2 2 378.520 3.801 20 0 GHADLP COC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000453321650 880792157 /nfs/dbraw/zinc/79/21/57/880792157.db2.gz ONPDSDPKNCXQPW-LZNRXBQRSA-N 2 2 387.955 3.965 20 0 GHADLP COC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000453321650 880792166 /nfs/dbraw/zinc/79/21/66/880792166.db2.gz ONPDSDPKNCXQPW-LZNRXBQRSA-N 2 2 387.955 3.965 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000453325542 880796652 /nfs/dbraw/zinc/79/66/52/880796652.db2.gz MOHRZVIGKMCTMG-QGZVFWFLSA-N 2 2 381.520 3.969 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494241795 881276864 /nfs/dbraw/zinc/27/68/64/881276864.db2.gz OHFILHBHCAYTPI-IFMALSPDSA-N 2 2 396.441 3.521 20 0 GHADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411617714 883184657 /nfs/dbraw/zinc/18/46/57/883184657.db2.gz VCVVFHXOGAYRSP-UHFFFAOYSA-N 2 2 393.531 3.757 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000551210850 883489094 /nfs/dbraw/zinc/48/90/94/883489094.db2.gz AQGGGLQVBJVNNI-KGLIPLIRSA-N 2 2 393.329 3.591 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000127925056 883532578 /nfs/dbraw/zinc/53/25/78/883532578.db2.gz SSTWUCLOOHYJCI-JOCHJYFZSA-N 2 2 389.503 3.509 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000195652248 883541438 /nfs/dbraw/zinc/54/14/38/883541438.db2.gz QTMUADVEPLBRQA-FOIQADDNSA-N 2 2 389.337 3.519 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000195652248 883541452 /nfs/dbraw/zinc/54/14/52/883541452.db2.gz QTMUADVEPLBRQA-FOIQADDNSA-N 2 2 389.337 3.519 20 0 GHADLP CN(C(=O)Cc1ccc(Cl)s1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000193866403 883546819 /nfs/dbraw/zinc/54/68/19/883546819.db2.gz VKXXJIXFHFHZIZ-MSOLQXFVSA-N 2 2 398.016 3.740 20 0 GHADLP CN(C(=O)Cc1ccc(Cl)s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000193866403 883546825 /nfs/dbraw/zinc/54/68/25/883546825.db2.gz VKXXJIXFHFHZIZ-MSOLQXFVSA-N 2 2 398.016 3.740 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CCOCC1)c1ccccc1 ZINC000194050301 883650700 /nfs/dbraw/zinc/65/07/00/883650700.db2.gz GCFJYSJAMJHQPT-WSWWRLHASA-N 2 2 384.564 3.824 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2csc(-c3ccc(C(N)=O)cc3)n2)cc1 ZINC000859211796 883664427 /nfs/dbraw/zinc/66/44/27/883664427.db2.gz FSGGBOGZJXANFJ-UHFFFAOYSA-N 2 2 394.544 3.603 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2csc(-c3ccc(C(N)=O)cc3)n2)cc1 ZINC000859211796 883664431 /nfs/dbraw/zinc/66/44/31/883664431.db2.gz FSGGBOGZJXANFJ-UHFFFAOYSA-N 2 2 394.544 3.603 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC001183758578 912768554 /nfs/dbraw/zinc/76/85/54/912768554.db2.gz WJHFUBKSCJEBMP-XZOQPEGZSA-N 2 2 391.559 3.678 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC001183758578 912768561 /nfs/dbraw/zinc/76/85/61/912768561.db2.gz WJHFUBKSCJEBMP-XZOQPEGZSA-N 2 2 391.559 3.678 20 0 GHADLP CC1(C)C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183758578 912768577 /nfs/dbraw/zinc/76/85/77/912768577.db2.gz WJHFUBKSCJEBMP-XZOQPEGZSA-N 2 2 391.559 3.678 20 0 GHADLP CC1(C)C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183758578 912768587 /nfs/dbraw/zinc/76/85/87/912768587.db2.gz WJHFUBKSCJEBMP-XZOQPEGZSA-N 2 2 391.559 3.678 20 0 GHADLP CCSCc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000455857412 884035270 /nfs/dbraw/zinc/03/52/70/884035270.db2.gz JXDJLUDITCMSDZ-UHFFFAOYSA-N 2 2 390.597 3.620 20 0 GHADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)[C@@H]1c1ccccc1 ZINC000897755574 884446209 /nfs/dbraw/zinc/44/62/09/884446209.db2.gz NRELMPBDLCYBKW-XWUOBKMESA-N 2 2 378.520 3.614 20 0 GHADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)[C@@H]1c1ccccc1 ZINC000897755574 884446217 /nfs/dbraw/zinc/44/62/17/884446217.db2.gz NRELMPBDLCYBKW-XWUOBKMESA-N 2 2 378.520 3.614 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000495095263 884531935 /nfs/dbraw/zinc/53/19/35/884531935.db2.gz WQZGCJYMTAIYGH-LAUBAEHRSA-N 2 2 378.532 3.772 20 0 GHADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000556388223 884726885 /nfs/dbraw/zinc/72/68/85/884726885.db2.gz YCPIYXGCNAHCOS-QGZVFWFLSA-N 2 2 379.957 3.646 20 0 GHADLP CCCOc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000428553208 884927497 /nfs/dbraw/zinc/92/74/97/884927497.db2.gz OONPPIZARFNGRE-JOCHJYFZSA-N 2 2 398.547 3.865 20 0 GHADLP CCCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000428553208 884927516 /nfs/dbraw/zinc/92/75/16/884927516.db2.gz OONPPIZARFNGRE-JOCHJYFZSA-N 2 2 398.547 3.865 20 0 GHADLP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000103440241 884988295 /nfs/dbraw/zinc/98/82/95/884988295.db2.gz IDIKYZGNOVUMJI-TWGQIWQCSA-N 2 2 389.543 3.754 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000666895055 885043005 /nfs/dbraw/zinc/04/30/05/885043005.db2.gz GIHDXFKRJCERPO-LJQANCHMSA-N 2 2 381.524 3.881 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000666895055 885043018 /nfs/dbraw/zinc/04/30/18/885043018.db2.gz GIHDXFKRJCERPO-LJQANCHMSA-N 2 2 381.524 3.881 20 0 GHADLP Nc1ccc(CCC(=O)Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)c[nH+]1 ZINC001183934172 912891687 /nfs/dbraw/zinc/89/16/87/912891687.db2.gz DRHBFWZCJNLMEN-OAQYLSRUSA-N 2 2 378.520 3.578 20 0 GHADLP CCC(C)(C)C1CCC(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000303277896 885501235 /nfs/dbraw/zinc/50/12/35/885501235.db2.gz SWTDRBAWPHIJSV-UHFFFAOYSA-N 2 2 380.621 3.649 20 0 GHADLP CCC(C)(C)C1CCC(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000303277896 885501247 /nfs/dbraw/zinc/50/12/47/885501247.db2.gz SWTDRBAWPHIJSV-UHFFFAOYSA-N 2 2 380.621 3.649 20 0 GHADLP CC(C)[NH+](CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C(C)C ZINC000131114863 885547245 /nfs/dbraw/zinc/54/72/45/885547245.db2.gz HWYUYWMSFZVREE-NHCUHLMSSA-N 2 2 383.540 3.530 20 0 GHADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000495432763 885779305 /nfs/dbraw/zinc/77/93/05/885779305.db2.gz LBJBRIICBYISDO-STZQEDGTSA-N 2 2 387.568 3.508 20 0 GHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000532479805 885791938 /nfs/dbraw/zinc/79/19/38/885791938.db2.gz QGPUPIRFGIGKGQ-GUYCJALGSA-N 2 2 379.957 3.879 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000532497477 885873538 /nfs/dbraw/zinc/87/35/38/885873538.db2.gz IUVRFYWPWOGEGD-IBGZPJMESA-N 2 2 382.401 3.571 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000532497477 885873542 /nfs/dbraw/zinc/87/35/42/885873542.db2.gz IUVRFYWPWOGEGD-IBGZPJMESA-N 2 2 382.401 3.571 20 0 GHADLP CC[NH+](CC)CCSCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000807950831 885889198 /nfs/dbraw/zinc/88/91/98/885889198.db2.gz XDAKAETZUDUIAJ-KRWDZBQOSA-N 2 2 392.613 3.506 20 0 GHADLP CC[NH+](CC)CCSCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000807950831 885889215 /nfs/dbraw/zinc/88/92/15/885889215.db2.gz XDAKAETZUDUIAJ-KRWDZBQOSA-N 2 2 392.613 3.506 20 0 GHADLP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000532538164 885938552 /nfs/dbraw/zinc/93/85/52/885938552.db2.gz ISMSGQZAIKWFRM-UHFFFAOYSA-N 2 2 386.565 3.801 20 0 GHADLP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000532538164 885938565 /nfs/dbraw/zinc/93/85/65/885938565.db2.gz ISMSGQZAIKWFRM-UHFFFAOYSA-N 2 2 386.565 3.801 20 0 GHADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(Br)ccc1O ZINC000155104013 886458036 /nfs/dbraw/zinc/45/80/36/886458036.db2.gz VTCBBSNPWVXFPH-INIZCTEOSA-N 2 2 378.314 3.971 20 0 GHADLP Cc1cncc(COCc2cnc3n2CC[N@H+](C2CCC([NH+](C)C)CC2)[C@H]3C)c1 ZINC001168322464 886462192 /nfs/dbraw/zinc/46/21/92/886462192.db2.gz CCTFWPJKTJQITD-PELRDEGISA-N 2 2 397.567 3.553 20 0 GHADLP Cc1cncc(COCc2cnc3n2CC[N@@H+](C2CCC([NH+](C)C)CC2)[C@H]3C)c1 ZINC001168322464 886462201 /nfs/dbraw/zinc/46/22/01/886462201.db2.gz CCTFWPJKTJQITD-PELRDEGISA-N 2 2 397.567 3.553 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)CCc1[nH]cc[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000287062960 913071485 /nfs/dbraw/zinc/07/14/85/913071485.db2.gz AYVPIOMPQNMNAV-MRXNPFEDSA-N 2 2 382.430 3.560 20 0 GHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CCC[C@H]([NH+](C)C)CC3)ccc2c1 ZINC000429551604 886732629 /nfs/dbraw/zinc/73/26/29/886732629.db2.gz FSJGPRPKZQMNQB-GCJKJVERSA-N 2 2 397.563 3.611 20 0 GHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CCC[C@H]([NH+](C)C)CC3)ccc2c1 ZINC000429551604 886732638 /nfs/dbraw/zinc/73/26/38/886732638.db2.gz FSJGPRPKZQMNQB-GCJKJVERSA-N 2 2 397.563 3.611 20 0 GHADLP Cc1ccc(F)c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000119497639 886739036 /nfs/dbraw/zinc/73/90/36/886739036.db2.gz DCEAWTWIOXKFDX-NHCUHLMSSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1ccc(F)c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000119497639 886739039 /nfs/dbraw/zinc/73/90/39/886739039.db2.gz DCEAWTWIOXKFDX-NHCUHLMSSA-N 2 2 390.547 3.935 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000808787586 886778766 /nfs/dbraw/zinc/77/87/66/886778766.db2.gz ILIRZPOIAFVHAM-DSNGMDLFSA-N 2 2 390.527 3.544 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000808787586 886778779 /nfs/dbraw/zinc/77/87/79/886778779.db2.gz ILIRZPOIAFVHAM-DSNGMDLFSA-N 2 2 390.527 3.544 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000495821529 887156861 /nfs/dbraw/zinc/15/68/61/887156861.db2.gz XKBVJXFMRBJREQ-UHFFFAOYSA-N 2 2 393.575 3.693 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000495821529 887156872 /nfs/dbraw/zinc/15/68/72/887156872.db2.gz XKBVJXFMRBJREQ-UHFFFAOYSA-N 2 2 393.575 3.693 20 0 GHADLP C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1c1cccs1 ZINC000129932486 887370712 /nfs/dbraw/zinc/37/07/12/887370712.db2.gz ZLYHVXORDAUBGJ-YLJYHZDGSA-N 2 2 380.517 3.747 20 0 GHADLP C[N@H+]1CCC[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1c1cccs1 ZINC000129932486 887370725 /nfs/dbraw/zinc/37/07/25/887370725.db2.gz ZLYHVXORDAUBGJ-YLJYHZDGSA-N 2 2 380.517 3.747 20 0 GHADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(Cl)c1 ZINC000131212818 887520223 /nfs/dbraw/zinc/52/02/23/887520223.db2.gz OKDUEVXGTLVONY-DLBZAZTESA-N 2 2 388.943 3.972 20 0 GHADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(Cl)c1 ZINC000131212818 887520230 /nfs/dbraw/zinc/52/02/30/887520230.db2.gz OKDUEVXGTLVONY-DLBZAZTESA-N 2 2 388.943 3.972 20 0 GHADLP C[NH+](C)Cc1cnc(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000809542261 887530655 /nfs/dbraw/zinc/53/06/55/887530655.db2.gz DYUOGJDOAGRMLL-UHFFFAOYSA-N 2 2 378.973 3.566 20 0 GHADLP C[NH+](C)Cc1cnc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000809542261 887530662 /nfs/dbraw/zinc/53/06/62/887530662.db2.gz DYUOGJDOAGRMLL-UHFFFAOYSA-N 2 2 378.973 3.566 20 0 GHADLP C[NH+](C)CCCC1CC[NH+](Cc2nc3ccccn3c2Br)CC1 ZINC000809583969 887594441 /nfs/dbraw/zinc/59/44/41/887594441.db2.gz SOGITQSCQLZYPD-UHFFFAOYSA-N 2 2 379.346 3.651 20 0 GHADLP Cc1c2cc(F)ccc2sc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797128 887699706 /nfs/dbraw/zinc/69/97/06/887699706.db2.gz ZACXSYVYZBRCNC-UHFFFAOYSA-N 2 2 389.540 3.637 20 0 GHADLP CN(c1ccccc1CNc1ccc(N2CCCCC2)c[nH+]1)C1CC[NH+](C)CC1 ZINC000532681100 887701975 /nfs/dbraw/zinc/70/19/75/887701975.db2.gz LLBJVTKPQLSJSU-UHFFFAOYSA-N 2 2 393.579 3.636 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000809718677 887740291 /nfs/dbraw/zinc/74/02/91/887740291.db2.gz XEOFQKUABNVXLE-MBOZVWFJSA-N 2 2 388.556 3.674 20 0 GHADLP O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001184405227 913193805 /nfs/dbraw/zinc/19/38/05/913193805.db2.gz ZCWRCTLBKJLHEH-ZWKOTPCHSA-N 2 2 386.927 3.681 20 0 GHADLP O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001184405227 913193809 /nfs/dbraw/zinc/19/38/09/913193809.db2.gz ZCWRCTLBKJLHEH-ZWKOTPCHSA-N 2 2 386.927 3.681 20 0 GHADLP C[C@@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000287229078 913200139 /nfs/dbraw/zinc/20/01/39/913200139.db2.gz GOEBRJRJYPQGLL-QZTJIDSGSA-N 2 2 378.476 3.533 20 0 GHADLP CCCCCC[C@H](CC)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001170599653 888283882 /nfs/dbraw/zinc/28/38/82/888283882.db2.gz PKPMKGRFYZCQMR-UXHICEINSA-N 2 2 375.605 3.756 20 0 GHADLP CCCCCC[C@H](CC)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001170599653 888283889 /nfs/dbraw/zinc/28/38/89/888283889.db2.gz PKPMKGRFYZCQMR-UXHICEINSA-N 2 2 375.605 3.756 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1nc2ccccc2s1 ZINC000865465015 888367201 /nfs/dbraw/zinc/36/72/01/888367201.db2.gz RZGIEUKTQVKLSQ-KRWDZBQOSA-N 2 2 397.544 3.858 20 0 GHADLP CCOc1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1OCc1ccccc1 ZINC000729684172 888525292 /nfs/dbraw/zinc/52/52/92/888525292.db2.gz KNPPTNFCJZQAAL-FGZHOGPDSA-N 2 2 396.531 3.617 20 0 GHADLP CCOc1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1OCc1ccccc1 ZINC000729684172 888525304 /nfs/dbraw/zinc/52/53/04/888525304.db2.gz KNPPTNFCJZQAAL-FGZHOGPDSA-N 2 2 396.531 3.617 20 0 GHADLP Cc1ccc(N2CCC(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)CC2)[nH+]c1 ZINC000194055369 888553240 /nfs/dbraw/zinc/55/32/40/888553240.db2.gz DINQSTCZLLODLS-LJQANCHMSA-N 2 2 398.576 3.621 20 0 GHADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168509052 888838850 /nfs/dbraw/zinc/83/88/50/888838850.db2.gz KJZRKRTYEPGTCT-HUUCEWRRSA-N 2 2 381.483 3.638 20 0 GHADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168509052 888838865 /nfs/dbraw/zinc/83/88/65/888838865.db2.gz KJZRKRTYEPGTCT-HUUCEWRRSA-N 2 2 381.483 3.638 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)CCc3cccnc3)CC2)cc1 ZINC000866368190 888849002 /nfs/dbraw/zinc/84/90/02/888849002.db2.gz XXHHAOCSFNZUFI-SFHVURJKSA-N 2 2 380.536 3.615 20 0 GHADLP Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000866611810 888967619 /nfs/dbraw/zinc/96/76/19/888967619.db2.gz XCGBWPJUDGALLS-SXLOBPIMSA-N 2 2 384.321 3.741 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC(C)(C)CCC[NH+](C)C)C[C@@H](C)O1 ZINC000454503242 889156062 /nfs/dbraw/zinc/15/60/62/889156062.db2.gz IBIPJZLNCBXOMR-QZTJIDSGSA-N 2 2 390.572 3.538 20 0 GHADLP Cc1ccc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c(C[NH+]2CCOCC2)c1 ZINC001170631802 889432001 /nfs/dbraw/zinc/43/20/01/889432001.db2.gz YZFDNNHWXQPKLT-UHFFFAOYSA-N 2 2 383.580 3.561 20 0 GHADLP CC(C)c1ncc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124837338 889784208 /nfs/dbraw/zinc/78/42/08/889784208.db2.gz FRQCVCHQXKFSNB-ROUUACIJSA-N 2 2 392.613 3.676 20 0 GHADLP CC(C)c1ncc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124837338 889784219 /nfs/dbraw/zinc/78/42/19/889784219.db2.gz FRQCVCHQXKFSNB-ROUUACIJSA-N 2 2 392.613 3.676 20 0 GHADLP CN(C(=O)c1ccc2ccccc2n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124848297 889788972 /nfs/dbraw/zinc/78/89/72/889788972.db2.gz FCAZTCVMKPAKBD-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccc2ccccc2n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124848297 889788983 /nfs/dbraw/zinc/78/89/83/889788983.db2.gz FCAZTCVMKPAKBD-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1nccc2ccccc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124862895 889795516 /nfs/dbraw/zinc/79/55/16/889795516.db2.gz ODZPGMCLEJPREK-VXKWHMMOSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1nccc2ccccc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124862895 889795523 /nfs/dbraw/zinc/79/55/23/889795523.db2.gz ODZPGMCLEJPREK-VXKWHMMOSA-N 2 2 394.563 3.644 20 0 GHADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000666755694 889844257 /nfs/dbraw/zinc/84/42/57/889844257.db2.gz CDAUZQPHOOZFNB-NYVOZVTQSA-N 2 2 395.551 3.531 20 0 GHADLP Cc1ccc(C[N@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)s1 ZINC000533410752 890483356 /nfs/dbraw/zinc/48/33/56/890483356.db2.gz AQJBVXYWVKCZIP-UHFFFAOYSA-N 2 2 385.577 3.531 20 0 GHADLP Cc1ccc(C[N@@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)s1 ZINC000533410752 890483361 /nfs/dbraw/zinc/48/33/61/890483361.db2.gz AQJBVXYWVKCZIP-UHFFFAOYSA-N 2 2 385.577 3.531 20 0 GHADLP Cc1ccc(C[NH+](C)CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)s1 ZINC000533410752 890483378 /nfs/dbraw/zinc/48/33/78/890483378.db2.gz AQJBVXYWVKCZIP-UHFFFAOYSA-N 2 2 385.577 3.531 20 0 GHADLP O=C(CC[NH2+][C@H](c1ccccc1)C1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000533521206 890785562 /nfs/dbraw/zinc/78/55/62/890785562.db2.gz DYUHJCBJWFBRBU-XMMPIXPASA-N 2 2 392.547 3.641 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000812719439 890895781 /nfs/dbraw/zinc/89/57/81/890895781.db2.gz SWLOLZFLIHFUOH-HKUYNNGSSA-N 2 2 397.604 3.501 20 0 GHADLP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)CC2)CC1 ZINC000246273597 890914066 /nfs/dbraw/zinc/91/40/66/890914066.db2.gz AXRSNZZMMYFICJ-UHIMYIODSA-N 3 2 384.612 3.925 20 0 GHADLP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)CC2)CC1 ZINC000246273597 890914074 /nfs/dbraw/zinc/91/40/74/890914074.db2.gz AXRSNZZMMYFICJ-UHIMYIODSA-N 3 2 384.612 3.925 20 0 GHADLP O[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1C(F)(F)F ZINC000812827003 890986236 /nfs/dbraw/zinc/98/62/36/890986236.db2.gz ZGCIVNLDABVFBQ-HNNXBMFYSA-N 2 2 384.364 3.745 20 0 GHADLP COC[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(F)c(F)c1 ZINC000812842716 891029749 /nfs/dbraw/zinc/02/97/49/891029749.db2.gz QIFQOBRIXSVJKR-QFIPXVFZSA-N 2 2 389.490 3.977 20 0 GHADLP CCCCSCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648723 891044449 /nfs/dbraw/zinc/04/44/49/891044449.db2.gz QYBQPPGUHNMMQB-UXHICEINSA-N 2 2 383.646 3.705 20 0 GHADLP CCCCSCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648723 891044462 /nfs/dbraw/zinc/04/44/62/891044462.db2.gz QYBQPPGUHNMMQB-UXHICEINSA-N 2 2 383.646 3.705 20 0 GHADLP Cc1cc(C)c(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)[nH+]1 ZINC000455491642 891047106 /nfs/dbraw/zinc/04/71/06/891047106.db2.gz YTTVDKZWBUYTBT-HDICACEKSA-N 2 2 396.535 3.938 20 0 GHADLP Cc1cc(C)c(NC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)[nH+]1 ZINC000455491642 891047117 /nfs/dbraw/zinc/04/71/17/891047117.db2.gz YTTVDKZWBUYTBT-HDICACEKSA-N 2 2 396.535 3.938 20 0 GHADLP CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533665656 891076092 /nfs/dbraw/zinc/07/60/92/891076092.db2.gz SGYDYEBOGXSRFB-FVTFTPSCSA-N 2 2 392.632 3.934 20 0 GHADLP CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533665656 891076099 /nfs/dbraw/zinc/07/60/99/891076099.db2.gz SGYDYEBOGXSRFB-FVTFTPSCSA-N 2 2 392.632 3.934 20 0 GHADLP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000127594914 891152375 /nfs/dbraw/zinc/15/23/75/891152375.db2.gz GGBFDTJNPXPJLW-PGRDOPGGSA-N 2 2 375.520 3.576 20 0 GHADLP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000127594914 891152381 /nfs/dbraw/zinc/15/23/81/891152381.db2.gz GGBFDTJNPXPJLW-PGRDOPGGSA-N 2 2 375.520 3.576 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123966091 891196096 /nfs/dbraw/zinc/19/60/96/891196096.db2.gz OCNUKMMIOQBWHZ-OXJNMPFZSA-N 2 2 392.906 3.573 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123966091 891196103 /nfs/dbraw/zinc/19/61/03/891196103.db2.gz OCNUKMMIOQBWHZ-OXJNMPFZSA-N 2 2 392.906 3.573 20 0 GHADLP Fc1cc(F)c2c(c1)CC[C@H](N(c1cccc[nH+]1)[C@H]1COC3(C1)CC[NH2+]CC3)C2 ZINC001170698178 891321055 /nfs/dbraw/zinc/32/10/55/891321055.db2.gz LRAVYHNTRNTLAM-RBUKOAKNSA-N 2 2 399.485 3.635 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000246917079 891323236 /nfs/dbraw/zinc/32/32/36/891323236.db2.gz GNWVXCBVNQFTED-NFBKMPQASA-N 2 2 393.579 3.857 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000246917079 891323253 /nfs/dbraw/zinc/32/32/53/891323253.db2.gz GNWVXCBVNQFTED-NFBKMPQASA-N 2 2 393.579 3.857 20 0 GHADLP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246955146 891326532 /nfs/dbraw/zinc/32/65/32/891326532.db2.gz IHHLZZMHSNMANH-XXBNENTESA-N 2 2 394.563 3.564 20 0 GHADLP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246955146 891326547 /nfs/dbraw/zinc/32/65/47/891326547.db2.gz IHHLZZMHSNMANH-XXBNENTESA-N 2 2 394.563 3.564 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000248046640 891407540 /nfs/dbraw/zinc/40/75/40/891407540.db2.gz VESMGMUPWXTUHQ-HYBUGGRVSA-N 3 2 378.564 3.678 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000248046640 891407543 /nfs/dbraw/zinc/40/75/43/891407543.db2.gz VESMGMUPWXTUHQ-HYBUGGRVSA-N 3 2 378.564 3.678 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248820619 891471274 /nfs/dbraw/zinc/47/12/74/891471274.db2.gz WPUJJFOVCCQYDG-WOJBJXKFSA-N 2 2 393.934 3.605 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248820619 891471285 /nfs/dbraw/zinc/47/12/85/891471285.db2.gz WPUJJFOVCCQYDG-WOJBJXKFSA-N 2 2 393.934 3.605 20 0 GHADLP Cc1nc(Cl)sc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124838738 891995600 /nfs/dbraw/zinc/99/56/00/891995600.db2.gz RYVTYLKHNIMPNB-CVEARBPZSA-N 2 2 399.004 3.514 20 0 GHADLP Cc1nc(Cl)sc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124838738 891995613 /nfs/dbraw/zinc/99/56/13/891995613.db2.gz RYVTYLKHNIMPNB-CVEARBPZSA-N 2 2 399.004 3.514 20 0 GHADLP Brc1ccc2c(C3C[NH+](Cc4ccc5nccnc5c4)C3)[nH+]cn2c1 ZINC001137090113 892629691 /nfs/dbraw/zinc/62/96/91/892629691.db2.gz RINKWCQFKWHWAT-UHFFFAOYSA-N 2 2 394.276 3.639 20 0 GHADLP CCC(CC)(CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000533733590 892734559 /nfs/dbraw/zinc/73/45/59/892734559.db2.gz YYXKWFGZGVOCDA-QUCCMNQESA-N 2 2 397.567 3.829 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000428636309 892969859 /nfs/dbraw/zinc/96/98/59/892969859.db2.gz ZASICPUZHXZLSG-GOSISDBHSA-N 2 2 395.551 3.586 20 0 GHADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000778188246 893176998 /nfs/dbraw/zinc/17/69/98/893176998.db2.gz FUKJHLZJYAWUGG-CQSZACIVSA-N 2 2 376.291 3.789 20 0 GHADLP CC(C)(C)OC(=O)NC(C)(C)c1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)on1 ZINC000876619987 893260848 /nfs/dbraw/zinc/26/08/48/893260848.db2.gz IBPWAVUAPMXJLO-AWEZNQCLSA-N 2 2 389.500 3.537 20 0 GHADLP CC(C)(C)OC(=O)NC(C)(C)c1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)on1 ZINC000876619987 893260861 /nfs/dbraw/zinc/26/08/61/893260861.db2.gz IBPWAVUAPMXJLO-AWEZNQCLSA-N 2 2 389.500 3.537 20 0 GHADLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc2c1OCO2 ZINC000536676721 893520651 /nfs/dbraw/zinc/52/06/51/893520651.db2.gz NAQOVUSXCDOFSU-XLIONFOSSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc2c1OCO2 ZINC000536676721 893520668 /nfs/dbraw/zinc/52/06/68/893520668.db2.gz NAQOVUSXCDOFSU-XLIONFOSSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc2c1OCO2 ZINC000536676721 893520686 /nfs/dbraw/zinc/52/06/86/893520686.db2.gz NAQOVUSXCDOFSU-XLIONFOSSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc2c1OCO2 ZINC000536676721 893520704 /nfs/dbraw/zinc/52/07/04/893520704.db2.gz NAQOVUSXCDOFSU-XLIONFOSSA-N 2 2 382.504 3.909 20 0 GHADLP Cc1nc2scc(C3CC3)n2c1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000459444285 893534617 /nfs/dbraw/zinc/53/46/17/893534617.db2.gz FLFYXJICAFIMDI-QGZVFWFLSA-N 2 2 396.564 3.729 20 0 GHADLP CCOc1ccc([C@H](O)C2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)cc1 ZINC000825955788 893561214 /nfs/dbraw/zinc/56/12/14/893561214.db2.gz SFRFFSPIHCTFNV-QHCPKHFHSA-N 2 2 392.503 3.612 20 0 GHADLP CCOC1CC(C[NH+]2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)C1 ZINC000459511300 893706019 /nfs/dbraw/zinc/70/60/19/893706019.db2.gz PWLMZVPHRZRCNW-UHFFFAOYSA-N 2 2 391.987 3.742 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000536856651 893945319 /nfs/dbraw/zinc/94/53/19/893945319.db2.gz HGDJLBGYMFTTJA-YLJYHZDGSA-N 2 2 393.560 3.643 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000536856651 893945323 /nfs/dbraw/zinc/94/53/23/893945323.db2.gz HGDJLBGYMFTTJA-YLJYHZDGSA-N 2 2 393.560 3.643 20 0 GHADLP FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000563669096 894047396 /nfs/dbraw/zinc/04/73/96/894047396.db2.gz FWPKOZUCFJPKLZ-GOEBONIOSA-N 2 2 380.414 3.719 20 0 GHADLP FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000563669096 894047416 /nfs/dbraw/zinc/04/74/16/894047416.db2.gz FWPKOZUCFJPKLZ-GOEBONIOSA-N 2 2 380.414 3.719 20 0 GHADLP Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1C ZINC000563841587 894250108 /nfs/dbraw/zinc/25/01/08/894250108.db2.gz LLCRCVLWFZVHDV-LJQANCHMSA-N 2 2 381.520 3.727 20 0 GHADLP C[NH+](C)[C@H](C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1)c1ccccc1 ZINC000816763774 895055842 /nfs/dbraw/zinc/05/58/42/895055842.db2.gz BRPQIWSWRRJZCX-NRFANRHFSA-N 2 2 378.476 3.665 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1Cl ZINC000564988135 895339499 /nfs/dbraw/zinc/33/94/99/895339499.db2.gz ONZUISWBNIJZDB-YWZLYKJASA-N 2 2 387.911 3.699 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](C[NH3+])C2)cc1Cl ZINC000564988135 895339516 /nfs/dbraw/zinc/33/95/16/895339516.db2.gz ONZUISWBNIJZDB-YWZLYKJASA-N 2 2 387.911 3.699 20 0 GHADLP O=c1[nH]c2ccccc2n1CCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000565497068 895675455 /nfs/dbraw/zinc/67/54/55/895675455.db2.gz LQLBGZCGROQIFD-DEOSSOPVSA-N 2 2 390.531 3.730 20 0 GHADLP O=c1[nH]c2ccccc2n1CCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000565497068 895675461 /nfs/dbraw/zinc/67/54/61/895675461.db2.gz LQLBGZCGROQIFD-DEOSSOPVSA-N 2 2 390.531 3.730 20 0 GHADLP O=c1[nH]c2ccccc2n1CCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000565497068 895675468 /nfs/dbraw/zinc/67/54/68/895675468.db2.gz LQLBGZCGROQIFD-DEOSSOPVSA-N 2 2 390.531 3.730 20 0 GHADLP O=c1[nH]c2ccccc2n1CCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000565497068 895675474 /nfs/dbraw/zinc/67/54/74/895675474.db2.gz LQLBGZCGROQIFD-DEOSSOPVSA-N 2 2 390.531 3.730 20 0 GHADLP CC1([NH+]2CCC2)CC[NH+](CCCCCC[NH+]2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000880475158 895724087 /nfs/dbraw/zinc/72/40/87/895724087.db2.gz UGUARHMMFBXIST-UHFFFAOYSA-N 4 2 390.660 3.667 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(F)c(C(F)F)c3)CC2)CC1 ZINC000880691807 895811826 /nfs/dbraw/zinc/81/18/26/895811826.db2.gz VMCZDHFCFCHHPD-UHFFFAOYSA-N 2 2 398.473 3.787 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(F)c(C(F)F)c3)CC2)CC1 ZINC000880691807 895811831 /nfs/dbraw/zinc/81/18/31/895811831.db2.gz VMCZDHFCFCHHPD-UHFFFAOYSA-N 2 2 398.473 3.787 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(F)cc3C(C)(F)F)CC2)CC1 ZINC000880721183 895832429 /nfs/dbraw/zinc/83/24/29/895832429.db2.gz YKYZSIIVPSLMSP-UHFFFAOYSA-N 2 2 398.473 3.618 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000566246173 896198306 /nfs/dbraw/zinc/19/83/06/896198306.db2.gz LYPFVNCFTOVNMX-JLMWRMLUSA-N 2 2 381.520 3.824 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000566246173 896198314 /nfs/dbraw/zinc/19/83/14/896198314.db2.gz LYPFVNCFTOVNMX-JLMWRMLUSA-N 2 2 381.520 3.824 20 0 GHADLP COc1cc2cc[nH+]c(NCC3(O)CC[NH+](Cc4ccccc4)CC3)c2cc1F ZINC000567028634 896811824 /nfs/dbraw/zinc/81/18/24/896811824.db2.gz RWLJWBZEYSJUCZ-UHFFFAOYSA-N 2 2 395.478 3.822 20 0 GHADLP C[C@@H](OC[C@H](O)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000567678691 897333255 /nfs/dbraw/zinc/33/32/55/897333255.db2.gz ZHXKXDLQQFBOIT-VGOFRKELSA-N 2 2 399.922 3.813 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000567994842 897527149 /nfs/dbraw/zinc/52/71/49/897527149.db2.gz WPZDZFNMZZLEMI-RTBURBONSA-N 2 2 377.598 3.601 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000567994842 897527158 /nfs/dbraw/zinc/52/71/58/897527158.db2.gz WPZDZFNMZZLEMI-RTBURBONSA-N 2 2 377.598 3.601 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000567994842 897527168 /nfs/dbraw/zinc/52/71/68/897527168.db2.gz WPZDZFNMZZLEMI-RTBURBONSA-N 2 2 377.598 3.601 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000567994842 897527177 /nfs/dbraw/zinc/52/71/77/897527177.db2.gz WPZDZFNMZZLEMI-RTBURBONSA-N 2 2 377.598 3.601 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000568144390 897634440 /nfs/dbraw/zinc/63/44/40/897634440.db2.gz IHJCVUZSQHMMOY-TZIWHRDSSA-N 2 2 389.503 3.853 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000568144390 897634451 /nfs/dbraw/zinc/63/44/51/897634451.db2.gz IHJCVUZSQHMMOY-TZIWHRDSSA-N 2 2 389.503 3.853 20 0 GHADLP OCC1([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc2)CC=CC1 ZINC000646083461 914239554 /nfs/dbraw/zinc/23/95/54/914239554.db2.gz YBRGNXVZIFJQJZ-XMMPIXPASA-N 2 2 392.543 3.678 20 0 GHADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824215558 899459903 /nfs/dbraw/zinc/45/99/03/899459903.db2.gz LKIZKSUDWZPIIV-CTNGQTDRSA-N 2 2 382.556 3.636 20 0 GHADLP c1nc2n(c1C[NH+]1CCCCC1)CC[N@@H+](Cc1nc3ccccc3s1)CC2 ZINC001136952058 899861640 /nfs/dbraw/zinc/86/16/40/899861640.db2.gz HUHVCHCXMAZZEF-UHFFFAOYSA-N 2 2 381.549 3.537 20 0 GHADLP c1nc2n(c1C[NH+]1CCCCC1)CC[N@H+](Cc1nc3ccccc3s1)CC2 ZINC001136952058 899861647 /nfs/dbraw/zinc/86/16/47/899861647.db2.gz HUHVCHCXMAZZEF-UHFFFAOYSA-N 2 2 381.549 3.537 20 0 GHADLP O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000332988010 899883613 /nfs/dbraw/zinc/88/36/13/899883613.db2.gz AMASCJRUVOYZQF-OAQYLSRUSA-N 2 2 396.510 3.558 20 0 GHADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333025322 899901556 /nfs/dbraw/zinc/90/15/56/899901556.db2.gz KOBDUPBTBMUDJN-OALUTQOASA-N 2 2 394.563 3.973 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333052314 899923287 /nfs/dbraw/zinc/92/32/87/899923287.db2.gz QQBHKMFOCZKDFZ-AWEZNQCLSA-N 2 2 388.462 3.704 20 0 GHADLP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333052316 899923740 /nfs/dbraw/zinc/92/37/40/899923740.db2.gz QQBHKMFOCZKDFZ-CQSZACIVSA-N 2 2 388.462 3.704 20 0 GHADLP COc1ncc(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)cc1C ZINC001137001590 900037991 /nfs/dbraw/zinc/03/79/91/900037991.db2.gz RCYPQAJUOMTOFH-UHFFFAOYSA-N 2 2 384.524 3.634 20 0 GHADLP COc1ncc(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)cc1C ZINC001137001590 900038001 /nfs/dbraw/zinc/03/80/01/900038001.db2.gz RCYPQAJUOMTOFH-UHFFFAOYSA-N 2 2 384.524 3.634 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1=S ZINC000884483111 900127934 /nfs/dbraw/zinc/12/79/34/900127934.db2.gz NTATVAAGYZMHQU-BZSNNMDCSA-N 2 2 395.617 3.685 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1=S ZINC000884483111 900127945 /nfs/dbraw/zinc/12/79/45/900127945.db2.gz NTATVAAGYZMHQU-BZSNNMDCSA-N 2 2 395.617 3.685 20 0 GHADLP Cc1cc(Br)cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000774995356 914415238 /nfs/dbraw/zinc/41/52/38/914415238.db2.gz BZXFOXDCTLWDCJ-GOSISDBHSA-N 2 2 389.341 3.905 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000289948607 914445448 /nfs/dbraw/zinc/44/54/48/914445448.db2.gz ZVSYCMZHESRLCI-SFHVURJKSA-N 2 2 387.549 3.579 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000289948607 914445456 /nfs/dbraw/zinc/44/54/56/914445456.db2.gz ZVSYCMZHESRLCI-SFHVURJKSA-N 2 2 387.549 3.579 20 0 GHADLP FC(F)(F)c1nn(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c2cc[nH+]cc21 ZINC000573766417 900624900 /nfs/dbraw/zinc/62/49/00/900624900.db2.gz XONUYAANUWDJTH-MRXNPFEDSA-N 2 2 390.409 3.741 20 0 GHADLP FC(F)(F)c1nn(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2cc[nH+]cc21 ZINC000573766417 900624907 /nfs/dbraw/zinc/62/49/07/900624907.db2.gz XONUYAANUWDJTH-MRXNPFEDSA-N 2 2 390.409 3.741 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H](O)c3c(F)cccc3F)C2)s1 ZINC000844330269 900702283 /nfs/dbraw/zinc/70/22/83/900702283.db2.gz VYRUXNBUHRLFFE-KXBFYZLASA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H](O)c3c(F)cccc3F)C2)s1 ZINC000844330269 900702289 /nfs/dbraw/zinc/70/22/89/900702289.db2.gz VYRUXNBUHRLFFE-KXBFYZLASA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](O)c3c(F)cccc3F)C2)s1 ZINC000844330269 900702297 /nfs/dbraw/zinc/70/22/97/900702297.db2.gz VYRUXNBUHRLFFE-KXBFYZLASA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](O)c3c(F)cccc3F)C2)s1 ZINC000844330269 900702306 /nfs/dbraw/zinc/70/23/06/900702306.db2.gz VYRUXNBUHRLFFE-KXBFYZLASA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H](O)c3c(F)cccc3F)C2)s1 ZINC000844330268 900702791 /nfs/dbraw/zinc/70/27/91/900702791.db2.gz VYRUXNBUHRLFFE-HNAYVOBHSA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H](O)c3c(F)cccc3F)C2)s1 ZINC000844330268 900702804 /nfs/dbraw/zinc/70/28/04/900702804.db2.gz VYRUXNBUHRLFFE-HNAYVOBHSA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)c3c(F)cccc3F)C2)s1 ZINC000844330268 900702814 /nfs/dbraw/zinc/70/28/14/900702814.db2.gz VYRUXNBUHRLFFE-HNAYVOBHSA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)c3c(F)cccc3F)C2)s1 ZINC000844330268 900702821 /nfs/dbraw/zinc/70/28/21/900702821.db2.gz VYRUXNBUHRLFFE-HNAYVOBHSA-N 2 2 380.504 3.822 20 0 GHADLP CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c2ccccc21 ZINC000282947705 900775116 /nfs/dbraw/zinc/77/51/16/900775116.db2.gz BQBAVXOQVJJAQZ-SFTDATJTSA-N 2 2 390.487 3.847 20 0 GHADLP Cc1[nH]c(C2CC[NH+](C[C@H](O)c3ccc(F)c(Br)c3)CC2)[nH+]c1C ZINC000886662458 901213758 /nfs/dbraw/zinc/21/37/58/901213758.db2.gz DUNOVPFSWNXJPG-KRWDZBQOSA-N 2 2 396.304 3.841 20 0 GHADLP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)Nc3cccc4ncccc43)CC2)[nH+]c1C ZINC000886664238 901214265 /nfs/dbraw/zinc/21/42/65/901214265.db2.gz GVCVGNBKGZTKIL-MRXNPFEDSA-N 2 2 377.492 3.781 20 0 GHADLP CC[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1cccc2ccccc21 ZINC000886790734 901275892 /nfs/dbraw/zinc/27/58/92/901275892.db2.gz LAFGSAODLNIOCE-XMMPIXPASA-N 2 2 381.564 3.677 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)s1 ZINC000796321228 914563962 /nfs/dbraw/zinc/56/39/62/914563962.db2.gz FGAUPLADMGXLJX-NRFANRHFSA-N 2 2 397.544 3.607 20 0 GHADLP COC1(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCCC1 ZINC000576314417 901937852 /nfs/dbraw/zinc/93/78/52/901937852.db2.gz RGAQWHOUCICVDG-UHFFFAOYSA-N 2 2 382.302 3.700 20 0 GHADLP COC1(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCCC1 ZINC000576314417 901937865 /nfs/dbraw/zinc/93/78/65/901937865.db2.gz RGAQWHOUCICVDG-UHFFFAOYSA-N 2 2 382.302 3.700 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2c[nH]c4nc(Cl)ccc24)CC3)n1 ZINC001144412529 902078525 /nfs/dbraw/zinc/07/85/25/902078525.db2.gz WAOPVAVIWRZKNT-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2c[nH]c4nc(Cl)ccc24)CC3)n1 ZINC001144412529 902078536 /nfs/dbraw/zinc/07/85/36/902078536.db2.gz WAOPVAVIWRZKNT-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000333436827 902089285 /nfs/dbraw/zinc/08/92/85/902089285.db2.gz VMYUMQICXOMLEO-UTKZUKDTSA-N 2 2 393.535 3.977 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1 ZINC000290274203 914607495 /nfs/dbraw/zinc/60/74/95/914607495.db2.gz LTHDXIFOLUCOOI-SFHVURJKSA-N 3 2 393.535 3.757 20 0 GHADLP O=C(CC[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000577056509 902471381 /nfs/dbraw/zinc/47/13/81/902471381.db2.gz GFTGUJISLIHVKA-KRWDZBQOSA-N 2 2 376.460 3.678 20 0 GHADLP COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2[nH+]cn4ccccc24)CC3)c1 ZINC001144619015 902512061 /nfs/dbraw/zinc/51/20/61/902512061.db2.gz NGZMADODNPQTKK-UHFFFAOYSA-N 2 2 390.531 3.831 20 0 GHADLP COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2[nH+]cn4ccccc24)CC3)c1 ZINC001144619015 902512066 /nfs/dbraw/zinc/51/20/66/902512066.db2.gz NGZMADODNPQTKK-UHFFFAOYSA-N 2 2 390.531 3.831 20 0 GHADLP COc1cc(OC)c(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1F ZINC000845944756 902548270 /nfs/dbraw/zinc/54/82/70/902548270.db2.gz TUIFXVXTDFXFHW-UHFFFAOYSA-N 2 2 387.499 3.668 20 0 GHADLP C[C@@H]1CN(C(=O)C[NH+](C)Cc2ccccc2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001144669261 902593470 /nfs/dbraw/zinc/59/34/70/902593470.db2.gz NUCNLTDHDPLLJU-NJDAHSKKSA-N 2 2 379.548 3.628 20 0 GHADLP C[C@@H]1CN(C(=O)C[NH+](C)Cc2ccccc2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001144669261 902593480 /nfs/dbraw/zinc/59/34/80/902593480.db2.gz NUCNLTDHDPLLJU-NJDAHSKKSA-N 2 2 379.548 3.628 20 0 GHADLP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H](C)[C@@H](C)[NH+]1Cc1ccccc1 ZINC001144669261 902593490 /nfs/dbraw/zinc/59/34/90/902593490.db2.gz NUCNLTDHDPLLJU-NJDAHSKKSA-N 2 2 379.548 3.628 20 0 GHADLP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H](C)[C@@H](C)[NH+]1Cc1ccccc1 ZINC001144669261 902593503 /nfs/dbraw/zinc/59/35/03/902593503.db2.gz NUCNLTDHDPLLJU-NJDAHSKKSA-N 2 2 379.548 3.628 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC[C@@H](Nc4ccccc4)C3)C2)cc1 ZINC000577595290 902933203 /nfs/dbraw/zinc/93/32/03/902933203.db2.gz ONNYHOYGXUZPFT-RPWUZVMVSA-N 2 2 379.548 3.854 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC[C@@H](Nc4ccccc4)C3)C2)cc1 ZINC000577595290 902933216 /nfs/dbraw/zinc/93/32/16/902933216.db2.gz ONNYHOYGXUZPFT-RPWUZVMVSA-N 2 2 379.548 3.854 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCC[C@@H](Nc4ccccc4)C3)C2)cc1 ZINC000577595290 902933232 /nfs/dbraw/zinc/93/32/32/902933232.db2.gz ONNYHOYGXUZPFT-RPWUZVMVSA-N 2 2 379.548 3.854 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CCC[C@@H](Nc4ccccc4)C3)C2)cc1 ZINC000577595290 902933246 /nfs/dbraw/zinc/93/32/46/902933246.db2.gz ONNYHOYGXUZPFT-RPWUZVMVSA-N 2 2 379.548 3.854 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000578212994 903619669 /nfs/dbraw/zinc/61/96/69/903619669.db2.gz RTRWZWUKTXUXTL-ZCNNSNEGSA-N 2 2 377.960 3.686 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000578212994 903619678 /nfs/dbraw/zinc/61/96/78/903619678.db2.gz RTRWZWUKTXUXTL-ZCNNSNEGSA-N 2 2 377.960 3.686 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000265416305 903877439 /nfs/dbraw/zinc/87/74/39/903877439.db2.gz DOCVSPHLQLLTBZ-QGZVFWFLSA-N 2 2 385.512 3.542 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000265468040 903910811 /nfs/dbraw/zinc/91/08/11/903910811.db2.gz HIXYISLJYNKEIH-FQEVSTJZSA-N 2 2 398.507 3.696 20 0 GHADLP CC1=CC[N@H+](CCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000578587975 903987495 /nfs/dbraw/zinc/98/74/95/903987495.db2.gz IIXFKLJCXZAFJE-UHFFFAOYSA-N 2 2 379.508 3.660 20 0 GHADLP CC1=CC[N@@H+](CCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000578587975 903987504 /nfs/dbraw/zinc/98/75/04/903987504.db2.gz IIXFKLJCXZAFJE-UHFFFAOYSA-N 2 2 379.508 3.660 20 0 GHADLP CC(C)[C@@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000578610866 904006297 /nfs/dbraw/zinc/00/62/97/904006297.db2.gz YBEGTALXKYBVRU-HSZRJFAPSA-N 2 2 394.563 3.912 20 0 GHADLP Cn1c(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)nc2cc(F)ccc21 ZINC000773003060 904360230 /nfs/dbraw/zinc/36/02/30/904360230.db2.gz WDMKLKUFCPFZFS-UHFFFAOYSA-N 2 2 381.499 3.537 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)C2=O)cc1 ZINC000773019191 904378952 /nfs/dbraw/zinc/37/89/52/904378952.db2.gz XESIEVYPKRQFIJ-OIBXWCBGSA-N 2 2 377.532 3.601 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)C2=O)cc1 ZINC000773019191 904378964 /nfs/dbraw/zinc/37/89/64/904378964.db2.gz XESIEVYPKRQFIJ-OIBXWCBGSA-N 2 2 377.532 3.601 20 0 GHADLP CC[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(C)cc2Br)CCCCC1 ZINC001171382116 904428278 /nfs/dbraw/zinc/42/82/78/904428278.db2.gz VITRKBUANMZTDG-MRXNPFEDSA-N 2 2 383.374 3.819 20 0 GHADLP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(C)cc2Br)CCCCC1 ZINC001171382116 904428284 /nfs/dbraw/zinc/42/82/84/904428284.db2.gz VITRKBUANMZTDG-MRXNPFEDSA-N 2 2 383.374 3.819 20 0 GHADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000579251688 904456085 /nfs/dbraw/zinc/45/60/85/904456085.db2.gz GJCKHYMCYZLVTA-UHFFFAOYSA-N 2 2 382.426 3.902 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000579532048 904677163 /nfs/dbraw/zinc/67/71/63/904677163.db2.gz NETBHDWHHHDOEN-NRFANRHFSA-N 2 2 392.499 3.826 20 0 GHADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC001171914009 905145131 /nfs/dbraw/zinc/14/51/31/905145131.db2.gz ITUIVFTWOVXJQD-PREGVCBESA-N 2 2 397.357 3.939 20 0 GHADLP Brc1ccc(N2CCC([NH2+][C@H]3CC[N@H+](CC4CCC4)C3)CC2)cc1 ZINC001171989703 905199323 /nfs/dbraw/zinc/19/93/23/905199323.db2.gz YXROQDVEMQKUEZ-IBGZPJMESA-N 2 2 392.385 3.882 20 0 GHADLP Brc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](CC4CCC4)C3)CC2)cc1 ZINC001171989703 905199332 /nfs/dbraw/zinc/19/93/32/905199332.db2.gz YXROQDVEMQKUEZ-IBGZPJMESA-N 2 2 392.385 3.882 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]Cc2cc(OCC4CC4)ncn2)C3)cc1 ZINC001172070395 905273773 /nfs/dbraw/zinc/27/37/73/905273773.db2.gz NZOFFAUYBNEOFY-MUSUJDOFSA-N 2 2 392.547 3.941 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]Cc2cc(OCC4CC4)ncn2)C3)cc1 ZINC001172070395 905273780 /nfs/dbraw/zinc/27/37/80/905273780.db2.gz NZOFFAUYBNEOFY-MUSUJDOFSA-N 2 2 392.547 3.941 20 0 GHADLP O=C1Nc2ccccc2C[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172061694 905325171 /nfs/dbraw/zinc/32/51/71/905325171.db2.gz IYICIYVWWBHCOW-ADYITMSISA-N 2 2 375.516 3.725 20 0 GHADLP O=C1Nc2ccccc2C[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061694 905325188 /nfs/dbraw/zinc/32/51/88/905325188.db2.gz IYICIYVWWBHCOW-ADYITMSISA-N 2 2 375.516 3.725 20 0 GHADLP COc1ccccc1[C@@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066923 905335675 /nfs/dbraw/zinc/33/56/75/905335675.db2.gz DGIIVDHOKGPHOD-ADYITMSISA-N 2 2 380.532 3.904 20 0 GHADLP COc1ccccc1[C@@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066923 905335692 /nfs/dbraw/zinc/33/56/92/905335692.db2.gz DGIIVDHOKGPHOD-ADYITMSISA-N 2 2 380.532 3.904 20 0 GHADLP COCCC[NH+]1CCC([NH2+]Cc2nc3ccccc3n2Cc2ccccc2)CC1 ZINC001172246500 905446106 /nfs/dbraw/zinc/44/61/06/905446106.db2.gz KMZIHYGCXRHXLT-UHFFFAOYSA-N 2 2 392.547 3.675 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177182355 906059330 /nfs/dbraw/zinc/05/93/30/906059330.db2.gz KRXDGSHDEKVPGR-IAGOWNOFSA-N 2 2 398.532 3.534 20 0 GHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000177491842 906147259 /nfs/dbraw/zinc/14/72/59/906147259.db2.gz SVYMDHUAOUWBDW-GOSISDBHSA-N 2 2 375.557 3.616 20 0 GHADLP CCCOC1CCC([NH2+]C2CC[NH+](Cc3ccc(C(=O)OC)cc3)CC2)CC1 ZINC001173094339 906152481 /nfs/dbraw/zinc/15/24/81/906152481.db2.gz VLCABDSLRDTCBA-UHFFFAOYSA-N 2 2 388.552 3.765 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001173074620 906170228 /nfs/dbraw/zinc/17/02/28/906170228.db2.gz VUOAKQNEDWUSKU-OKZBNKHCSA-N 2 2 375.513 3.631 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001173074620 906170237 /nfs/dbraw/zinc/17/02/37/906170237.db2.gz VUOAKQNEDWUSKU-OKZBNKHCSA-N 2 2 375.513 3.631 20 0 GHADLP COc1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1OCc1cccnc1 ZINC000177589078 906173383 /nfs/dbraw/zinc/17/33/83/906173383.db2.gz ZUCHIKFLHHCWRT-UHFFFAOYSA-N 2 2 378.476 3.656 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001173086181 906187610 /nfs/dbraw/zinc/18/76/10/906187610.db2.gz RJXXRPXVFMQOKG-OAHLLOKOSA-N 2 2 395.425 3.742 20 0 GHADLP [NH3+]C1(C(=O)NCc2ccccc2)CC[NH+]([C@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173340216 906381151 /nfs/dbraw/zinc/38/11/51/906381151.db2.gz BXFDOGCVJHQIBV-NRFANRHFSA-N 2 2 383.580 3.989 20 0 GHADLP CC[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000179702549 906567496 /nfs/dbraw/zinc/56/74/96/906567496.db2.gz VMKLUBUVDOXFRB-OAQYLSRUSA-N 2 2 398.576 3.652 20 0 GHADLP CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000179702549 906567505 /nfs/dbraw/zinc/56/75/05/906567505.db2.gz VMKLUBUVDOXFRB-OAQYLSRUSA-N 2 2 398.576 3.652 20 0 GHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2nc(-c3ccccn3)cs2)CC1 ZINC000180176019 906706850 /nfs/dbraw/zinc/70/68/50/906706850.db2.gz OCDQXPLNXSZOBW-UHFFFAOYSA-N 2 2 384.471 3.754 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000365940450 921259583 /nfs/dbraw/zinc/25/95/83/921259583.db2.gz CCLKLGSUCKPCDH-UHFFFAOYSA-N 2 2 385.512 3.542 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000365940450 921259598 /nfs/dbraw/zinc/25/95/98/921259598.db2.gz CCLKLGSUCKPCDH-UHFFFAOYSA-N 2 2 385.512 3.542 20 0 GHADLP C[C@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)Cn1cc[nH+]c1 ZINC000180218145 906717870 /nfs/dbraw/zinc/71/78/70/906717870.db2.gz XHJRVPAGRCEVAG-MRXNPFEDSA-N 2 2 391.357 3.536 20 0 GHADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000629601887 906894505 /nfs/dbraw/zinc/89/45/05/906894505.db2.gz NNFQFXMNNMCQHX-JOCHJYFZSA-N 2 2 377.488 3.536 20 0 GHADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000629601887 906894522 /nfs/dbraw/zinc/89/45/22/906894522.db2.gz NNFQFXMNNMCQHX-JOCHJYFZSA-N 2 2 377.488 3.536 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc2cc(Br)ccc2o1 ZINC000181561004 907027443 /nfs/dbraw/zinc/02/74/43/907027443.db2.gz KIOPCQDFWPDUME-CYBMUJFWSA-N 2 2 381.314 3.693 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000181589721 907032312 /nfs/dbraw/zinc/03/23/12/907032312.db2.gz QIYPOEGNZNFLQS-WOJBJXKFSA-N 3 2 396.579 3.898 20 0 GHADLP Cc1c[nH+]ccc1Nc1c[nH+]cc(F)c1N1CCC(C(=O)OC(C)(C)C)CC1 ZINC001174537202 907075731 /nfs/dbraw/zinc/07/57/31/907075731.db2.gz BIUUMTLQABOMHL-UHFFFAOYSA-N 2 2 386.471 3.648 20 0 GHADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000630860948 907478440 /nfs/dbraw/zinc/47/84/40/907478440.db2.gz QXBYHXWDABBEOX-LJQANCHMSA-N 2 2 394.544 3.505 20 0 GHADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000630860948 907478446 /nfs/dbraw/zinc/47/84/46/907478446.db2.gz QXBYHXWDABBEOX-LJQANCHMSA-N 2 2 394.544 3.505 20 0 GHADLP COc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000631631785 907783310 /nfs/dbraw/zinc/78/33/10/907783310.db2.gz LPKZFRQYRAHCSW-DEOSSOPVSA-N 2 2 393.531 3.895 20 0 GHADLP C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001176837573 908272889 /nfs/dbraw/zinc/27/28/89/908272889.db2.gz WDLMUQXQBCTDCM-UHFFFAOYSA-N 2 2 376.504 3.541 20 0 GHADLP C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001176837573 908272904 /nfs/dbraw/zinc/27/29/04/908272904.db2.gz WDLMUQXQBCTDCM-UHFFFAOYSA-N 2 2 376.504 3.541 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)nnn1-c1ccc(C)cc1 ZINC000366247489 921417715 /nfs/dbraw/zinc/41/77/15/921417715.db2.gz PQXMGSHEFGMPEE-QGZVFWFLSA-N 2 2 376.508 3.599 20 0 GHADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1 ZINC001178276332 908980600 /nfs/dbraw/zinc/98/06/00/908980600.db2.gz MFXROWHCBQYVFD-LJQANCHMSA-N 2 2 384.854 3.813 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000266900464 909333148 /nfs/dbraw/zinc/33/31/48/909333148.db2.gz UAMKTXVJUBUWIE-IRXDYDNUSA-N 2 2 398.532 3.534 20 0 GHADLP Clc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001179343351 909499057 /nfs/dbraw/zinc/49/90/57/909499057.db2.gz HLFMSRYIGMKAGM-JOCHJYFZSA-N 2 2 386.923 3.828 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+][C@]2(C)CCOc3ccccc32)c2c1OC(F)(F)O2 ZINC001179658348 909623843 /nfs/dbraw/zinc/62/38/43/909623843.db2.gz GVKORQPFMYTVGW-HXUWFJFHSA-N 2 2 390.430 3.857 20 0 GHADLP Cc1cccc([C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(C)C)c1 ZINC000637478044 909828760 /nfs/dbraw/zinc/82/87/60/909828760.db2.gz MOBABKHAHCRGOQ-VXKWHMMOSA-N 2 2 386.584 3.502 20 0 GHADLP Cc1cccc([C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(C)C)c1 ZINC000637478044 909828773 /nfs/dbraw/zinc/82/87/73/909828773.db2.gz MOBABKHAHCRGOQ-VXKWHMMOSA-N 2 2 386.584 3.502 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1)c1nnc2n1CCC2 ZINC000638908272 910274288 /nfs/dbraw/zinc/27/42/88/910274288.db2.gz ZTTVDPFNGYPSJY-WZONZLPQSA-N 2 2 381.568 3.813 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)c1nnc2n1CCC2 ZINC000638908272 910274303 /nfs/dbraw/zinc/27/43/03/910274303.db2.gz ZTTVDPFNGYPSJY-WZONZLPQSA-N 2 2 381.568 3.813 20 0 GHADLP O=c1c(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cccn1C(F)F ZINC000639174441 910341416 /nfs/dbraw/zinc/34/14/16/910341416.db2.gz BIRGYTPNRFTNFM-UHFFFAOYSA-N 2 2 392.837 3.796 20 0 GHADLP O=c1c(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cccn1C(F)F ZINC000639174441 910341421 /nfs/dbraw/zinc/34/14/21/910341421.db2.gz BIRGYTPNRFTNFM-UHFFFAOYSA-N 2 2 392.837 3.796 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)NC1CC[NH+](CC2CC2)CC1 ZINC000270355744 910533083 /nfs/dbraw/zinc/53/30/83/910533083.db2.gz QNNXLHTTZANQEN-UHFFFAOYSA-N 2 2 391.519 3.598 20 0 GHADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000640041624 910797628 /nfs/dbraw/zinc/79/76/28/910797628.db2.gz JOUWIVZTIPCOIF-WGSAOQKQSA-N 2 2 381.524 3.731 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccc(N2CCOCC2)c1 ZINC000271436520 910905500 /nfs/dbraw/zinc/90/55/00/910905500.db2.gz BQYKRGAVORAKGP-PMACEKPBSA-N 2 2 394.563 3.794 20 0 GHADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000271569042 910964222 /nfs/dbraw/zinc/96/42/22/910964222.db2.gz VJUYVXOKSNYQEE-FYYLOGMGSA-N 2 2 390.535 3.608 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)NCCc1c[nH]c2cc[nH+]cc12)c1ccccc1Cl ZINC001182221320 911313877 /nfs/dbraw/zinc/31/38/77/911313877.db2.gz HTRBWVXITPBKJC-FQEVSTJZSA-N 2 2 384.911 3.958 20 0 GHADLP Fc1ccc(C[NH2+]Cc2cn(Cc3cccc(C[NH+]4CCCCC4)c3)nn2)cc1 ZINC000641180010 911351236 /nfs/dbraw/zinc/35/12/36/911351236.db2.gz ZIXQCHBKWQQKOV-UHFFFAOYSA-N 2 2 393.510 3.741 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001182872885 912093616 /nfs/dbraw/zinc/09/36/16/912093616.db2.gz HDYJOIDYFAAHBQ-HZPDHXFCSA-N 2 2 396.373 3.876 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000291293424 915084692 /nfs/dbraw/zinc/08/46/92/915084692.db2.gz JBYKNIOMHQBWIM-UTKZUKDTSA-N 2 2 393.535 3.977 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCCc1ccccc1 ZINC000647215534 915087794 /nfs/dbraw/zinc/08/77/94/915087794.db2.gz YDCCGPXNTRKZLF-REWPJTCUSA-N 2 2 391.559 3.521 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCCc1ccccc1 ZINC000647215534 915087813 /nfs/dbraw/zinc/08/78/13/915087813.db2.gz YDCCGPXNTRKZLF-REWPJTCUSA-N 2 2 391.559 3.521 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCc1cccs1 ZINC000647241716 915099920 /nfs/dbraw/zinc/09/99/20/915099920.db2.gz VWDVVOUBNUSUBX-CTNGQTDRSA-N 2 2 397.588 3.930 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCc1cccs1 ZINC000647241716 915099932 /nfs/dbraw/zinc/09/99/32/915099932.db2.gz VWDVVOUBNUSUBX-CTNGQTDRSA-N 2 2 397.588 3.930 20 0 GHADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000647956625 915452994 /nfs/dbraw/zinc/45/29/94/915452994.db2.gz QYZWJXDSYSVWNL-AZUAARDMSA-N 2 2 396.362 3.732 20 0 GHADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000647956625 915453004 /nfs/dbraw/zinc/45/30/04/915453004.db2.gz QYZWJXDSYSVWNL-AZUAARDMSA-N 2 2 396.362 3.732 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000292031281 915482821 /nfs/dbraw/zinc/48/28/21/915482821.db2.gz DIXGAKSNANHEDX-ZWKOTPCHSA-N 2 2 380.536 3.660 20 0 GHADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1Cl ZINC000364455133 919476693 /nfs/dbraw/zinc/47/66/93/919476693.db2.gz ZYHGSLZFUUFGTN-XLIONFOSSA-N 2 2 379.976 3.585 20 0 GHADLP CC(C)Oc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1Cl ZINC000364455133 919476698 /nfs/dbraw/zinc/47/66/98/919476698.db2.gz ZYHGSLZFUUFGTN-XLIONFOSSA-N 2 2 379.976 3.585 20 0 GHADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)C2)C1 ZINC000298545556 920653299 /nfs/dbraw/zinc/65/32/99/920653299.db2.gz XCNHCOMQKGYPNW-QHCPKHFHSA-N 2 2 393.535 3.836 20 0 GHADLP C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)C2)C1 ZINC000298545556 920653308 /nfs/dbraw/zinc/65/33/08/920653308.db2.gz XCNHCOMQKGYPNW-QHCPKHFHSA-N 2 2 393.535 3.836 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000367122092 921931770 /nfs/dbraw/zinc/93/17/70/921931770.db2.gz WTIOLDBFUSNIKM-NHCUHLMSSA-N 2 2 379.504 3.822 20 0 GHADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000367614616 922229990 /nfs/dbraw/zinc/22/99/90/922229990.db2.gz IKGZDORKORXBHP-JOCHJYFZSA-N 2 2 376.504 3.739 20 0 GHADLP c1nc([C@@H]2CCCO2)sc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367959892 922392790 /nfs/dbraw/zinc/39/27/90/922392790.db2.gz HJCXNHNRSXWISS-SBHAEUEKSA-N 2 2 383.561 3.949 20 0 GHADLP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367959892 922392810 /nfs/dbraw/zinc/39/28/10/922392810.db2.gz HJCXNHNRSXWISS-SBHAEUEKSA-N 2 2 383.561 3.949 20 0 GHADLP c1nc([C@@H]2CCCO2)sc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367959892 922392820 /nfs/dbraw/zinc/39/28/20/922392820.db2.gz HJCXNHNRSXWISS-SBHAEUEKSA-N 2 2 383.561 3.949 20 0 GHADLP c1nc([C@@H]2CCCO2)sc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367959892 922392834 /nfs/dbraw/zinc/39/28/34/922392834.db2.gz HJCXNHNRSXWISS-SBHAEUEKSA-N 2 2 383.561 3.949 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902832811 922540823 /nfs/dbraw/zinc/54/08/23/922540823.db2.gz QKNXVPASSNTPNQ-IBGZPJMESA-N 3 2 390.531 3.680 20 0 GHADLP Cc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c(N2CCOCC2)c1 ZINC000902839463 922545640 /nfs/dbraw/zinc/54/56/40/922545640.db2.gz ROLCYIFEURNDOR-IBGZPJMESA-N 2 2 376.504 3.868 20 0 GHADLP CC[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000368433330 922670391 /nfs/dbraw/zinc/67/03/91/922670391.db2.gz GRDDIXQRYDNZKQ-VQTJNVASSA-N 2 2 392.975 3.601 20 0 GHADLP CC[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000368433330 922670399 /nfs/dbraw/zinc/67/03/99/922670399.db2.gz GRDDIXQRYDNZKQ-VQTJNVASSA-N 2 2 392.975 3.601 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902981814 922678802 /nfs/dbraw/zinc/67/88/02/922678802.db2.gz FMBDSCFECVANCU-YLJYHZDGSA-N 2 2 375.476 3.829 20 0 GHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000368573905 922752514 /nfs/dbraw/zinc/75/25/14/922752514.db2.gz IFNOTQGKYFMBKD-STJZUHDESA-N 2 2 393.457 3.723 20 0 GHADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@@H]3CCO[C@]34CCOC4)cc2)c[nH+]1 ZINC000903086819 922761622 /nfs/dbraw/zinc/76/16/22/922761622.db2.gz AKYADEBOMANLBG-RPWUZVMVSA-N 2 2 389.499 3.636 20 0 GHADLP COc1ccc2c(c1Cl)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCC2 ZINC000903098670 922770188 /nfs/dbraw/zinc/77/01/88/922770188.db2.gz SEJBBNLXSIBRHX-MAUKXSAKSA-N 2 2 378.944 3.817 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C[N@@H+]1Cc1ccccc1 ZINC000677114433 924243064 /nfs/dbraw/zinc/24/30/64/924243064.db2.gz KJHOVRCUPDTYHV-HJNYFJLDSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C[N@H+]1Cc1ccccc1 ZINC000677114433 924243076 /nfs/dbraw/zinc/24/30/76/924243076.db2.gz KJHOVRCUPDTYHV-HJNYFJLDSA-N 2 2 395.551 3.530 20 0 GHADLP Cn1c(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)nc2c1cccc2F ZINC000677748892 924477040 /nfs/dbraw/zinc/47/70/40/924477040.db2.gz BMRQJJFPZWNDDG-GOSISDBHSA-N 2 2 380.511 3.898 20 0 GHADLP Cn1c(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)nc2c1cccc2F ZINC000677748892 924477048 /nfs/dbraw/zinc/47/70/48/924477048.db2.gz BMRQJJFPZWNDDG-GOSISDBHSA-N 2 2 380.511 3.898 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000677806159 924505358 /nfs/dbraw/zinc/50/53/58/924505358.db2.gz VXJOOKQHEHUXLH-OAQYLSRUSA-N 2 2 381.520 3.527 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000677806159 924505366 /nfs/dbraw/zinc/50/53/66/924505366.db2.gz VXJOOKQHEHUXLH-OAQYLSRUSA-N 2 2 381.520 3.527 20 0 GHADLP O=C(C[NH2+][C@@H](CC1CC1)c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000678777725 924917086 /nfs/dbraw/zinc/91/70/86/924917086.db2.gz VWVQFCJLXVNNHE-NRFANRHFSA-N 2 2 383.561 3.523 20 0 GHADLP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000372238845 925270132 /nfs/dbraw/zinc/27/01/32/925270132.db2.gz ZEQOGQFWEUQJPX-NRFANRHFSA-N 2 2 384.499 3.549 20 0 GHADLP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000372238845 925270137 /nfs/dbraw/zinc/27/01/37/925270137.db2.gz ZEQOGQFWEUQJPX-NRFANRHFSA-N 2 2 384.499 3.549 20 0 GHADLP CC(C)C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000681209772 925762101 /nfs/dbraw/zinc/76/21/01/925762101.db2.gz BLNYWUHAZOXPBS-RTBURBONSA-N 2 2 392.613 3.645 20 0 GHADLP CC(C)C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000681209772 925762109 /nfs/dbraw/zinc/76/21/09/925762109.db2.gz BLNYWUHAZOXPBS-RTBURBONSA-N 2 2 392.613 3.645 20 0 GHADLP O=C(c1ccsc1)N1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411185436 926172264 /nfs/dbraw/zinc/17/22/64/926172264.db2.gz WOFRKTJCBNTXQJ-UHFFFAOYSA-N 2 2 383.561 3.692 20 0 GHADLP COCCOc1cccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000373487828 926184805 /nfs/dbraw/zinc/18/48/05/926184805.db2.gz XSAWWBHFVXRSHL-UHFFFAOYSA-N 2 2 386.458 3.607 20 0 GHADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccccc1OCC(=O)NC ZINC000683020269 926328282 /nfs/dbraw/zinc/32/82/82/926328282.db2.gz BCVXDVCEHRPCIC-NRFANRHFSA-N 2 2 392.503 3.546 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000374424022 927125333 /nfs/dbraw/zinc/12/53/33/927125333.db2.gz YCZNGZQSQIIZID-LSTHTHJFSA-N 2 2 375.900 3.679 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000374424022 927125337 /nfs/dbraw/zinc/12/53/37/927125337.db2.gz YCZNGZQSQIIZID-LSTHTHJFSA-N 2 2 375.900 3.679 20 0 GHADLP Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c(N(C)C)[nH+]1 ZINC000750389971 927597095 /nfs/dbraw/zinc/59/70/95/927597095.db2.gz PTOVNQCMAVBSSI-UHFFFAOYSA-N 2 2 381.524 3.504 20 0 GHADLP Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c(N(C)C)[nH+]1 ZINC000750389971 927597098 /nfs/dbraw/zinc/59/70/98/927597098.db2.gz PTOVNQCMAVBSSI-UHFFFAOYSA-N 2 2 381.524 3.504 20 0 GHADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000467314182 928947986 /nfs/dbraw/zinc/94/79/86/928947986.db2.gz TWKMEZIOUSBGJZ-HRAATJIYSA-N 2 2 392.465 3.645 20 0 GHADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000467314182 928947993 /nfs/dbraw/zinc/94/79/93/928947993.db2.gz TWKMEZIOUSBGJZ-HRAATJIYSA-N 2 2 392.465 3.645 20 0 GHADLP Brc1cccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CCOCC2)c1 ZINC000467423551 929056555 /nfs/dbraw/zinc/05/65/55/929056555.db2.gz NEBJHWCEGVYKNH-HKUYNNGSSA-N 2 2 390.325 3.718 20 0 GHADLP COc1cc(C)c([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1C ZINC000753630486 929453332 /nfs/dbraw/zinc/45/33/32/929453332.db2.gz CAWNAVTVZMXGEU-FQEVSTJZSA-N 2 2 398.547 3.874 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CCC2 ZINC000546268351 930006962 /nfs/dbraw/zinc/00/69/62/930006962.db2.gz WTGMKHSYFXPKRM-YUXAGFNASA-N 2 2 382.552 3.550 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CCC2 ZINC000546268351 930006965 /nfs/dbraw/zinc/00/69/65/930006965.db2.gz WTGMKHSYFXPKRM-YUXAGFNASA-N 2 2 382.552 3.550 20 0 GHADLP C[NH+](C)CCOc1cccc(-c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)c1 ZINC000546383967 930108795 /nfs/dbraw/zinc/10/87/95/930108795.db2.gz MZMSHKVYEJLOAB-UHFFFAOYSA-N 2 2 389.459 3.589 20 0 GHADLP CN(C)[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000469779236 930156239 /nfs/dbraw/zinc/15/62/39/930156239.db2.gz IELGCYOPURXYDA-LJQANCHMSA-N 2 2 392.469 3.962 20 0 GHADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000470629464 930764875 /nfs/dbraw/zinc/76/48/75/930764875.db2.gz ZWRUFOIZOKWXMN-UHFFFAOYSA-N 2 2 382.533 3.918 20 0 GHADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000470978604 931074011 /nfs/dbraw/zinc/07/40/11/931074011.db2.gz UVRMOEGZJJIXKK-HXUWFJFHSA-N 2 2 389.559 3.617 20 0 GHADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000470978604 931074017 /nfs/dbraw/zinc/07/40/17/931074017.db2.gz UVRMOEGZJJIXKK-HXUWFJFHSA-N 2 2 389.559 3.617 20 0 GHADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000470978604 931074023 /nfs/dbraw/zinc/07/40/23/931074023.db2.gz UVRMOEGZJJIXKK-HXUWFJFHSA-N 2 2 389.559 3.617 20 0 GHADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000470978604 931074028 /nfs/dbraw/zinc/07/40/28/931074028.db2.gz UVRMOEGZJJIXKK-HXUWFJFHSA-N 2 2 389.559 3.617 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cccc4c3OCCCO4)CC2)cc1 ZINC000557279957 931319198 /nfs/dbraw/zinc/31/91/98/931319198.db2.gz NJMKQPXEVKEXQX-UHFFFAOYSA-N 2 2 384.495 3.784 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H](c3ccccc3)C3CCOCC3)[nH+]c2)C1 ZINC000782775948 931332827 /nfs/dbraw/zinc/33/28/27/931332827.db2.gz KDIQVAJLBZCDKU-GMAHTHKFSA-N 2 2 380.536 3.802 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1cn(C)cn1 ZINC000924653020 931463844 /nfs/dbraw/zinc/46/38/44/931463844.db2.gz GHSIIDVEEQSKFI-HXUWFJFHSA-N 2 2 389.547 3.593 20 0 GHADLP Cc1cccc([C@H]2CC(=O)N(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)C2)c1 ZINC000783993011 931743871 /nfs/dbraw/zinc/74/38/71/931743871.db2.gz MBYAMZGPUJNORL-QFIPXVFZSA-N 2 2 380.536 3.657 20 0 GHADLP FCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000777566195 931829724 /nfs/dbraw/zinc/82/97/24/931829724.db2.gz KBRPGUORPLLPDJ-QFIPXVFZSA-N 2 2 382.527 3.585 20 0 GHADLP FCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000777566195 931829728 /nfs/dbraw/zinc/82/97/28/931829728.db2.gz KBRPGUORPLLPDJ-QFIPXVFZSA-N 2 2 382.527 3.585 20 0 GHADLP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(F)cn1 ZINC000558222933 931890333 /nfs/dbraw/zinc/89/03/33/931890333.db2.gz VHKFFIRQYLHJHR-IXDOHACOSA-N 2 2 387.499 3.689 20 0 GHADLP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(F)cn1 ZINC000558222933 931890338 /nfs/dbraw/zinc/89/03/38/931890338.db2.gz VHKFFIRQYLHJHR-IXDOHACOSA-N 2 2 387.499 3.689 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]21 ZINC000784508497 931918384 /nfs/dbraw/zinc/91/83/84/931918384.db2.gz CTGJESLJLLCNLN-CEWLAPEOSA-N 2 2 396.535 3.998 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]21 ZINC000784508497 931918392 /nfs/dbraw/zinc/91/83/92/931918392.db2.gz CTGJESLJLLCNLN-CEWLAPEOSA-N 2 2 396.535 3.998 20 0 GHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000558460205 932013842 /nfs/dbraw/zinc/01/38/42/932013842.db2.gz POKNGFZLVWVPRD-SJKOYZFVSA-N 2 2 379.957 3.878 20 0 GHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000558460205 932013845 /nfs/dbraw/zinc/01/38/45/932013845.db2.gz POKNGFZLVWVPRD-SJKOYZFVSA-N 2 2 379.957 3.878 20 0 GHADLP Brc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccnc2)cc1 ZINC000926230082 932091345 /nfs/dbraw/zinc/09/13/45/932091345.db2.gz QVPRQBRQZJQVDH-IEBWSBKVSA-N 2 2 383.293 3.735 20 0 GHADLP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000926332739 932138715 /nfs/dbraw/zinc/13/87/15/932138715.db2.gz ZANZYBGDVSRNLO-JYPHPWERSA-N 2 2 384.490 3.526 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)CC[N@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000558703195 932179050 /nfs/dbraw/zinc/17/90/50/932179050.db2.gz SMADOBHNJPLOPS-OALUTQOASA-N 2 2 387.568 3.889 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000558703195 932179051 /nfs/dbraw/zinc/17/90/51/932179051.db2.gz SMADOBHNJPLOPS-OALUTQOASA-N 2 2 387.568 3.889 20 0 GHADLP Clc1ccc(OCC2CC2)c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000797465562 932293415 /nfs/dbraw/zinc/29/34/15/932293415.db2.gz AHJYOKCKQVVTPC-HXUWFJFHSA-N 2 2 378.944 3.862 20 0 GHADLP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N3CCC(Nc4cccc[nH+]4)CC3)c2)C1 ZINC000927075672 932401586 /nfs/dbraw/zinc/40/15/86/932401586.db2.gz YMORJDCMALAAHT-HXUWFJFHSA-N 2 2 378.520 3.608 20 0 GHADLP C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3CCC(Nc4cccc[nH+]4)CC3)c2)C1 ZINC000927075672 932401589 /nfs/dbraw/zinc/40/15/89/932401589.db2.gz YMORJDCMALAAHT-HXUWFJFHSA-N 2 2 378.520 3.608 20 0 GHADLP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927078992 932403424 /nfs/dbraw/zinc/40/34/24/932403424.db2.gz YXFUXZVBDAYGGT-UHFFFAOYSA-N 2 2 378.520 3.784 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000928008560 932761645 /nfs/dbraw/zinc/76/16/45/932761645.db2.gz FNMTTWWXWXQNSM-UHFFFAOYSA-N 2 2 390.478 3.536 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000798949087 932833705 /nfs/dbraw/zinc/83/37/05/932833705.db2.gz JDEAIJBNNUUFFH-WMZHIEFXSA-N 2 2 398.551 3.941 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1)c1ccccc1 ZINC001116025998 933291701 /nfs/dbraw/zinc/29/17/01/933291701.db2.gz XFEFELUOXAEZNW-XZOQPEGZSA-N 2 2 394.563 3.635 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1)c1ccccc1 ZINC001116025998 933291714 /nfs/dbraw/zinc/29/17/14/933291714.db2.gz XFEFELUOXAEZNW-XZOQPEGZSA-N 2 2 394.563 3.635 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)c(C)c1 ZINC000560546009 933332212 /nfs/dbraw/zinc/33/22/12/933332212.db2.gz PAOFCCOQXYAKOV-UTKZUKDTSA-N 2 2 390.487 3.923 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001119946818 934423132 /nfs/dbraw/zinc/42/31/32/934423132.db2.gz HPQUDJLKFQQDLQ-MRXNPFEDSA-N 2 2 395.569 3.828 20 0 GHADLP CC(C)(C)OC(=O)Nc1nc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cs1 ZINC001119986698 934431221 /nfs/dbraw/zinc/43/12/21/934431221.db2.gz GBLFYJFLMMULPT-UHFFFAOYSA-N 2 2 389.525 3.644 20 0 GHADLP C[C@H]1[NH2+]CCn2c(C(=O)Nc3ccc(-c4[nH+]cc5n4CCCC5)cc3)ccc21 ZINC001121989333 934798770 /nfs/dbraw/zinc/79/87/70/934798770.db2.gz SRFHCEUVQXNSOV-OAHLLOKOSA-N 2 2 375.476 3.604 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1scnc1Cl)CC2 ZINC001137818828 935806478 /nfs/dbraw/zinc/80/64/78/935806478.db2.gz ZCYDPQGKHOSWAJ-CQSZACIVSA-N 2 2 381.929 3.645 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1scnc1Cl)CC2 ZINC001137818828 935806481 /nfs/dbraw/zinc/80/64/81/935806481.db2.gz ZCYDPQGKHOSWAJ-CQSZACIVSA-N 2 2 381.929 3.645 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)C[N@H+](Cc2ccccc2)C1 ZINC000468434569 1015704043 /nfs/dbraw/zinc/70/40/43/1015704043.db2.gz HYNKWFPAEJGZOI-DENIHFKCSA-N 2 2 383.580 3.668 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000468434569 1015704049 /nfs/dbraw/zinc/70/40/49/1015704049.db2.gz HYNKWFPAEJGZOI-DENIHFKCSA-N 2 2 383.580 3.668 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000545420831 1015860522 /nfs/dbraw/zinc/86/05/22/1015860522.db2.gz OQXZDUZVDMWYBW-PKOBYXMFSA-N 2 2 390.890 3.505 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000545420831 1015860526 /nfs/dbraw/zinc/86/05/26/1015860526.db2.gz OQXZDUZVDMWYBW-PKOBYXMFSA-N 2 2 390.890 3.505 20 0 GHADLP CCCN(CCC[NH+](C)C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000468658604 1015879285 /nfs/dbraw/zinc/87/92/85/1015879285.db2.gz ILEAVAUEKUDIBA-OAQYLSRUSA-N 2 2 385.556 3.615 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)c(I)c1 ZINC001233356068 1039174919 /nfs/dbraw/zinc/17/49/19/1039174919.db2.gz YLTDETSAYGFYMT-UHFFFAOYSA-N 2 2 389.668 3.663 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)c(I)c1 ZINC001233356068 1039174927 /nfs/dbraw/zinc/17/49/27/1039174927.db2.gz YLTDETSAYGFYMT-UHFFFAOYSA-N 2 2 389.668 3.663 20 0 GHADLP CC(=O)[C@@H](Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C)c1ccccc1 ZINC001227164590 1032302869 /nfs/dbraw/zinc/30/28/69/1032302869.db2.gz KPLWIKRQJDEGEL-HSZRJFAPSA-N 3 2 397.563 3.581 20 0 GHADLP CC(=O)[C@@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1C[NH+](C)C)c1ccccc1 ZINC001227164590 1032302879 /nfs/dbraw/zinc/30/28/79/1032302879.db2.gz KPLWIKRQJDEGEL-HSZRJFAPSA-N 2 2 397.563 3.581 20 0 GHADLP COc1c[nH+]c(N[C@@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)nc1NC(C)C ZINC001155431601 1032539441 /nfs/dbraw/zinc/53/94/41/1032539441.db2.gz VJIXULNMECMRSX-GOSISDBHSA-N 2 2 381.524 3.792 20 0 GHADLP COC(=O)c1c(C)cc(C)[nH+]c1N[C@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21 ZINC001155436958 1032541801 /nfs/dbraw/zinc/54/18/01/1032541801.db2.gz TXBFODMCQGVZGI-IBGZPJMESA-N 2 2 379.504 3.972 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccoc2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001204247633 1032688400 /nfs/dbraw/zinc/68/84/00/1032688400.db2.gz MFMKWDYZJMGWFH-UHFFFAOYSA-N 2 2 377.529 3.575 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccoc2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001204247633 1032688410 /nfs/dbraw/zinc/68/84/10/1032688410.db2.gz MFMKWDYZJMGWFH-UHFFFAOYSA-N 2 2 377.529 3.575 20 0 GHADLP Cc1noc(C2CCC([NH2+]CC3([N@H+](C)Cc4ccccc4)CCOCC3)CC2)n1 ZINC000926961744 1017333558 /nfs/dbraw/zinc/33/35/58/1017333558.db2.gz YESKSPGCPVSQOJ-UHFFFAOYSA-N 2 2 398.551 3.675 20 0 GHADLP Cc1noc(C2CCC([NH2+]CC3([N@@H+](C)Cc4ccccc4)CCOCC3)CC2)n1 ZINC000926961744 1017333570 /nfs/dbraw/zinc/33/35/70/1017333570.db2.gz YESKSPGCPVSQOJ-UHFFFAOYSA-N 2 2 398.551 3.675 20 0 GHADLP CCCOc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)OCC)C3)CC2)cc1 ZINC001204304050 1032744152 /nfs/dbraw/zinc/74/41/52/1032744152.db2.gz AVFWOTFHMSZYEB-HXUWFJFHSA-N 2 2 388.552 3.715 20 0 GHADLP CCCOc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)OCC)C3)CC2)cc1 ZINC001204304050 1032744170 /nfs/dbraw/zinc/74/41/70/1032744170.db2.gz AVFWOTFHMSZYEB-HXUWFJFHSA-N 2 2 388.552 3.715 20 0 GHADLP Cc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)cc1C ZINC001204356834 1032792289 /nfs/dbraw/zinc/79/22/89/1032792289.db2.gz HNHXMGSSNXNAKP-FQEVSTJZSA-N 2 2 387.568 3.867 20 0 GHADLP Cc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)cc1C ZINC001204356834 1032792307 /nfs/dbraw/zinc/79/23/07/1032792307.db2.gz HNHXMGSSNXNAKP-FQEVSTJZSA-N 2 2 387.568 3.867 20 0 GHADLP Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000935686342 1019029350 /nfs/dbraw/zinc/02/93/50/1019029350.db2.gz IDNVWSWOIFUWQI-UHFFFAOYSA-N 2 2 383.492 3.653 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1ccc(C(C)(C)C)cc1)CCC2 ZINC001204395700 1032821727 /nfs/dbraw/zinc/82/17/27/1032821727.db2.gz AYUCPXXOCRPFNR-UHFFFAOYSA-N 2 2 396.579 3.787 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1ccc(C(C)(C)C)cc1)CCC2 ZINC001204395700 1032821739 /nfs/dbraw/zinc/82/17/39/1032821739.db2.gz AYUCPXXOCRPFNR-UHFFFAOYSA-N 2 2 396.579 3.787 20 0 GHADLP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1ccc(C(C)(C)C)cc1)CCC2 ZINC001204395700 1032821753 /nfs/dbraw/zinc/82/17/53/1032821753.db2.gz AYUCPXXOCRPFNR-UHFFFAOYSA-N 2 2 396.579 3.787 20 0 GHADLP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](Cc1ccc(C(C)(C)C)cc1)CCC2 ZINC001204395700 1032821768 /nfs/dbraw/zinc/82/17/68/1032821768.db2.gz AYUCPXXOCRPFNR-UHFFFAOYSA-N 2 2 396.579 3.787 20 0 GHADLP COc1ccccc1[C@@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000576417054 1020010261 /nfs/dbraw/zinc/01/02/61/1020010261.db2.gz NZTCJUWIZNLPLB-YADHBBJMSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccccc1[C@@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000576417054 1020010274 /nfs/dbraw/zinc/01/02/74/1020010274.db2.gz NZTCJUWIZNLPLB-YADHBBJMSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccccc1[C@@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000576417054 1020010286 /nfs/dbraw/zinc/01/02/86/1020010286.db2.gz NZTCJUWIZNLPLB-YADHBBJMSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccccc1[C@@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000576417054 1020010299 /nfs/dbraw/zinc/01/02/99/1020010299.db2.gz NZTCJUWIZNLPLB-YADHBBJMSA-N 2 2 380.532 3.776 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000576594042 1020041179 /nfs/dbraw/zinc/04/11/79/1020041179.db2.gz BOQONRHYZOESEP-FPOVZHCZSA-N 2 2 394.563 3.871 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000576594042 1020041190 /nfs/dbraw/zinc/04/11/90/1020041190.db2.gz BOQONRHYZOESEP-FPOVZHCZSA-N 2 2 394.563 3.871 20 0 GHADLP Fc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001204438563 1032876650 /nfs/dbraw/zinc/87/66/50/1032876650.db2.gz VXULEBOBWJPTOX-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001204438563 1032876679 /nfs/dbraw/zinc/87/66/79/1032876679.db2.gz VXULEBOBWJPTOX-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001204438563 1032876692 /nfs/dbraw/zinc/87/66/92/1032876692.db2.gz VXULEBOBWJPTOX-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000192025170 1020841099 /nfs/dbraw/zinc/84/10/99/1020841099.db2.gz RFNDFPWQDMXKFO-UHFFFAOYSA-N 2 2 390.487 3.887 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000192025170 1020841105 /nfs/dbraw/zinc/84/11/05/1020841105.db2.gz RFNDFPWQDMXKFO-UHFFFAOYSA-N 2 2 390.487 3.887 20 0 GHADLP COc1ccccc1N1CCC([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000631083206 1020857189 /nfs/dbraw/zinc/85/71/89/1020857189.db2.gz HVICIASZAPTZFZ-NRFANRHFSA-N 2 2 390.531 3.971 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]CCn2cc[nH+]c2C)cs1)c1ccc(C)c(C)c1 ZINC000638457729 1021043253 /nfs/dbraw/zinc/04/32/53/1021043253.db2.gz NNNGLSMTQHRHGJ-UHFFFAOYSA-N 2 2 383.521 3.739 20 0 GHADLP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000638668795 1021050876 /nfs/dbraw/zinc/05/08/76/1021050876.db2.gz PEXPRNFKHZEVCH-KRWDZBQOSA-N 2 2 394.519 3.614 20 0 GHADLP CNC(=O)C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000639129269 1021065950 /nfs/dbraw/zinc/06/59/50/1021065950.db2.gz QSACXBLTFCSTLH-ACIOBRDBSA-N 2 2 377.532 3.822 20 0 GHADLP CNC(=O)C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000639129269 1021065961 /nfs/dbraw/zinc/06/59/61/1021065961.db2.gz QSACXBLTFCSTLH-ACIOBRDBSA-N 2 2 377.532 3.822 20 0 GHADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000647814277 1021151179 /nfs/dbraw/zinc/15/11/79/1021151179.db2.gz GXIPVZGCODTWRF-QHCPKHFHSA-N 2 2 397.950 3.762 20 0 GHADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000647814277 1021151186 /nfs/dbraw/zinc/15/11/86/1021151186.db2.gz GXIPVZGCODTWRF-QHCPKHFHSA-N 2 2 397.950 3.762 20 0 GHADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2cncc(Br)c2)cc1 ZINC000903566297 1021614462 /nfs/dbraw/zinc/61/44/62/1021614462.db2.gz OMWUCEVXGNZTGH-QFBILLFUSA-N 2 2 390.325 3.732 20 0 GHADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2cncc(Br)c2)cc1 ZINC000903566297 1021614476 /nfs/dbraw/zinc/61/44/76/1021614476.db2.gz OMWUCEVXGNZTGH-QFBILLFUSA-N 2 2 390.325 3.732 20 0 GHADLP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000679175523 1021969396 /nfs/dbraw/zinc/96/93/96/1021969396.db2.gz ZQKOQXIDPYEUIK-QGZVFWFLSA-N 2 2 390.491 3.713 20 0 GHADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1csc3ccccc13)CCC2 ZINC001140636364 1022124913 /nfs/dbraw/zinc/12/49/13/1022124913.db2.gz SGMYDMCBHKWJAN-UHFFFAOYSA-N 2 2 396.560 3.706 20 0 GHADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](Cc1csc3ccccc13)CCC2 ZINC001140636364 1022124924 /nfs/dbraw/zinc/12/49/24/1022124924.db2.gz SGMYDMCBHKWJAN-UHFFFAOYSA-N 2 2 396.560 3.706 20 0 GHADLP CCC1(CC)CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000682729986 1022370709 /nfs/dbraw/zinc/37/07/09/1022370709.db2.gz ZNBNWRDUDWZTIE-FQEVSTJZSA-N 2 2 378.605 3.545 20 0 GHADLP CCC1(CC)CCC(NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000682729986 1022370722 /nfs/dbraw/zinc/37/07/22/1022370722.db2.gz ZNBNWRDUDWZTIE-FQEVSTJZSA-N 2 2 378.605 3.545 20 0 GHADLP O=C(OCc1ccc(-n2cc[nH+]c2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000754499173 1022741060 /nfs/dbraw/zinc/74/10/60/1022741060.db2.gz FOCMZSIUADOTAL-UHFFFAOYSA-N 2 2 375.472 3.828 20 0 GHADLP C[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000755065881 1023055465 /nfs/dbraw/zinc/05/54/65/1023055465.db2.gz JSOZNPXEVMTPFO-YZGWKJHDSA-N 2 2 380.621 3.647 20 0 GHADLP C[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000755065881 1023055477 /nfs/dbraw/zinc/05/54/77/1023055477.db2.gz JSOZNPXEVMTPFO-YZGWKJHDSA-N 2 2 380.621 3.647 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@H+](Cn3nc(CCc4ccccc4)oc3=S)C2)CC1 ZINC000755780193 1023373486 /nfs/dbraw/zinc/37/34/86/1023373486.db2.gz NMFLFYFBVOMCGE-IBGZPJMESA-N 2 2 386.565 3.612 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3nc(CCc4ccccc4)oc3=S)C2)CC1 ZINC000755780193 1023373499 /nfs/dbraw/zinc/37/34/99/1023373499.db2.gz NMFLFYFBVOMCGE-IBGZPJMESA-N 2 2 386.565 3.612 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@H+](Cn3[nH]c(/C=C/c4ccccc4)nc3=S)C2)CC1 ZINC000755780132 1023373525 /nfs/dbraw/zinc/37/35/25/1023373525.db2.gz WCTONRHPYWIMGF-UCFODXPJSA-N 2 2 383.565 3.732 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3[nH]c(/C=C/c4ccccc4)nc3=S)C2)CC1 ZINC000755780132 1023373537 /nfs/dbraw/zinc/37/35/37/1023373537.db2.gz WCTONRHPYWIMGF-UCFODXPJSA-N 2 2 383.565 3.732 20 0 GHADLP Cc1ccc(-n2cnn(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c2=S)c(C)c1 ZINC000755781587 1023375615 /nfs/dbraw/zinc/37/56/15/1023375615.db2.gz VUTDYDXWLDZHQW-LJQANCHMSA-N 2 2 385.581 3.641 20 0 GHADLP Cc1ccc(-n2cnn(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c2=S)c(C)c1 ZINC000755781587 1023375623 /nfs/dbraw/zinc/37/56/23/1023375623.db2.gz VUTDYDXWLDZHQW-LJQANCHMSA-N 2 2 385.581 3.641 20 0 GHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000756012852 1023477804 /nfs/dbraw/zinc/47/78/04/1023477804.db2.gz NPQRDTBBGSUYIH-QGZVFWFLSA-N 2 2 393.322 3.975 20 0 GHADLP CCN(CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)CCC(F)(F)F ZINC000756050530 1023496388 /nfs/dbraw/zinc/49/63/88/1023496388.db2.gz POAPRZJGWAKQJD-UHFFFAOYSA-N 2 2 386.506 3.585 20 0 GHADLP COC(=O)c1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n2c1CCCC2 ZINC001204875196 1033138094 /nfs/dbraw/zinc/13/80/94/1033138094.db2.gz LMABKXWYTSVEJX-HXUWFJFHSA-N 2 2 395.547 3.565 20 0 GHADLP COC(=O)c1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n2c1CCCC2 ZINC001204875196 1033138100 /nfs/dbraw/zinc/13/81/00/1033138100.db2.gz LMABKXWYTSVEJX-HXUWFJFHSA-N 2 2 395.547 3.565 20 0 GHADLP COC(=O)c1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n2c1CCCC2 ZINC001204875196 1033138111 /nfs/dbraw/zinc/13/81/11/1033138111.db2.gz LMABKXWYTSVEJX-HXUWFJFHSA-N 2 2 395.547 3.565 20 0 GHADLP COC(=O)c1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n2c1CCCC2 ZINC001204875196 1033138119 /nfs/dbraw/zinc/13/81/19/1033138119.db2.gz LMABKXWYTSVEJX-HXUWFJFHSA-N 2 2 395.547 3.565 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000756097566 1023520595 /nfs/dbraw/zinc/52/05/95/1023520595.db2.gz CEGGNZRYRYKPNM-UHFFFAOYSA-N 2 2 379.464 3.904 20 0 GHADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCN(C(=O)OCC(C)C)CC1)c1ccccc1 ZINC000756883457 1023846242 /nfs/dbraw/zinc/84/62/42/1023846242.db2.gz PUKCPGZQTZCITM-NRFANRHFSA-N 2 2 375.557 3.916 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC001138144245 1024226672 /nfs/dbraw/zinc/22/66/72/1024226672.db2.gz OQZGQYKLVNGVMO-UHFFFAOYSA-N 2 2 376.298 3.597 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCN(c3ccc4c(c3)CCC4=O)CC2)cc1 ZINC001138552042 1025005989 /nfs/dbraw/zinc/00/59/89/1025005989.db2.gz WOBNYALHQKAMEQ-UHFFFAOYSA-N 2 2 386.499 3.632 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc(Oc5ncccn5)c4)C[C@H]3C2)cc1 ZINC001138622708 1025120115 /nfs/dbraw/zinc/12/01/15/1025120115.db2.gz SJLWEKJPOSLSPU-FGZHOGPDSA-N 2 2 386.499 3.833 20 0 GHADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cnn(-c5ccc(F)cc5)c4)C[C@@H]3C2)cc1 ZINC001138647590 1025157986 /nfs/dbraw/zinc/15/79/86/1025157986.db2.gz DCQRKYRGCVVTOP-VXKWHMMOSA-N 2 2 390.506 3.884 20 0 GHADLP CCSc1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001138655904 1025172379 /nfs/dbraw/zinc/17/23/79/1025172379.db2.gz SLKWGTAKYNOAGS-JBACZVJFSA-N 2 2 397.592 3.716 20 0 GHADLP CCSc1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001138655904 1025172380 /nfs/dbraw/zinc/17/23/80/1025172380.db2.gz SLKWGTAKYNOAGS-JBACZVJFSA-N 2 2 397.592 3.716 20 0 GHADLP CCSc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001138655904 1025172382 /nfs/dbraw/zinc/17/23/82/1025172382.db2.gz SLKWGTAKYNOAGS-JBACZVJFSA-N 2 2 397.592 3.716 20 0 GHADLP CCSc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001138655904 1025172383 /nfs/dbraw/zinc/17/23/83/1025172383.db2.gz SLKWGTAKYNOAGS-JBACZVJFSA-N 2 2 397.592 3.716 20 0 GHADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nn(CC)c2ccccc12 ZINC001202860707 1025276356 /nfs/dbraw/zinc/27/63/56/1025276356.db2.gz SJWZEIKIFCMLKC-HYBUGGRVSA-N 2 2 392.547 3.683 20 0 GHADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nn(CC)c2ccccc12 ZINC001202860707 1025276368 /nfs/dbraw/zinc/27/63/68/1025276368.db2.gz SJWZEIKIFCMLKC-HYBUGGRVSA-N 2 2 392.547 3.683 20 0 GHADLP Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001138879341 1025512886 /nfs/dbraw/zinc/51/28/86/1025512886.db2.gz NGAYUAJGNCTDFI-ROUUACIJSA-N 2 2 382.508 3.841 20 0 GHADLP CC(C)(C)OC(=O)NCC1(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000839075300 1025570850 /nfs/dbraw/zinc/57/08/50/1025570850.db2.gz UJOXBVKNARSPNL-KRWDZBQOSA-N 2 2 388.556 3.704 20 0 GHADLP CC(C)(C)OC(=O)NCC1(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000839075300 1025570868 /nfs/dbraw/zinc/57/08/68/1025570868.db2.gz UJOXBVKNARSPNL-KRWDZBQOSA-N 2 2 388.556 3.704 20 0 GHADLP Nc1[nH+]c(N2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)ccc1Cl ZINC001162056624 1025572510 /nfs/dbraw/zinc/57/25/10/1025572510.db2.gz MPLCWJWSZINFEN-UHFFFAOYSA-N 2 2 384.833 3.876 20 0 GHADLP CC(C)(C)OC(=O)[C@@H](Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1)c1ccccc1 ZINC001162057626 1025573997 /nfs/dbraw/zinc/57/39/97/1025573997.db2.gz CIIOBDALTMNXJM-CTNGQTDRSA-N 2 2 381.520 3.715 20 0 GHADLP CC(C)(C)OC(=O)[C@@H](Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1)c1ccccc1 ZINC001162057626 1025574008 /nfs/dbraw/zinc/57/40/08/1025574008.db2.gz CIIOBDALTMNXJM-CTNGQTDRSA-N 2 2 381.520 3.715 20 0 GHADLP Cc1nc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c2c([nH+]1)CCCC2 ZINC001162132344 1025623807 /nfs/dbraw/zinc/62/38/07/1025623807.db2.gz NFJZIJDOESKIDK-IRXDYDNUSA-N 2 2 380.536 3.885 20 0 GHADLP CCOc1ccc(CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1C(F)(F)F ZINC001162180927 1025652413 /nfs/dbraw/zinc/65/24/13/1025652413.db2.gz BJJKFHNXZJMLCN-UHFFFAOYSA-N 2 2 380.414 3.521 20 0 GHADLP CCOc1ccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1OCC ZINC001138972794 1025690111 /nfs/dbraw/zinc/69/01/11/1025690111.db2.gz ZYFHMTIFLJMTIO-HSZRJFAPSA-N 2 2 390.568 3.807 20 0 GHADLP CCOc1ccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1OCC ZINC001138972794 1025690119 /nfs/dbraw/zinc/69/01/19/1025690119.db2.gz ZYFHMTIFLJMTIO-HSZRJFAPSA-N 2 2 390.568 3.807 20 0 GHADLP CCOc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)cc1OCC ZINC001138972794 1025690121 /nfs/dbraw/zinc/69/01/21/1025690121.db2.gz ZYFHMTIFLJMTIO-HSZRJFAPSA-N 2 2 390.568 3.807 20 0 GHADLP CCOc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)cc1OCC ZINC001138972794 1025690124 /nfs/dbraw/zinc/69/01/24/1025690124.db2.gz ZYFHMTIFLJMTIO-HSZRJFAPSA-N 2 2 390.568 3.807 20 0 GHADLP COc1ccc(C2=CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC001139059463 1025848483 /nfs/dbraw/zinc/84/84/83/1025848483.db2.gz BYLRCFUTRTWWJN-UHFFFAOYSA-N 2 2 378.516 3.817 20 0 GHADLP COc1ccc(C2=CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC001139059463 1025848504 /nfs/dbraw/zinc/84/85/04/1025848504.db2.gz BYLRCFUTRTWWJN-UHFFFAOYSA-N 2 2 378.516 3.817 20 0 GHADLP CCc1ccccc1-c1nc(CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)cs1 ZINC001163205499 1026087415 /nfs/dbraw/zinc/08/74/15/1026087415.db2.gz TWDVCLVEHYLDRW-UHFFFAOYSA-N 2 2 379.533 3.789 20 0 GHADLP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001139465634 1026333219 /nfs/dbraw/zinc/33/32/19/1026333219.db2.gz UNKGCCDTVNZJPO-MRXNPFEDSA-N 2 2 379.460 3.701 20 0 GHADLP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001139465634 1026333229 /nfs/dbraw/zinc/33/32/29/1026333229.db2.gz UNKGCCDTVNZJPO-MRXNPFEDSA-N 2 2 379.460 3.701 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(Cl)ccn1)CC2 ZINC001139561720 1026432280 /nfs/dbraw/zinc/43/22/80/1026432280.db2.gz HBZRXJJJYUSHKO-SFHVURJKSA-N 2 2 375.900 3.584 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(Cl)ccn1)CC2 ZINC001139561720 1026432293 /nfs/dbraw/zinc/43/22/93/1026432293.db2.gz HBZRXJJJYUSHKO-SFHVURJKSA-N 2 2 375.900 3.584 20 0 GHADLP C[N@@H+]1CCC[C@@H]1CSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC001164470393 1026519039 /nfs/dbraw/zinc/51/90/39/1026519039.db2.gz SBGRQILPKQEIIQ-QGZVFWFLSA-N 2 2 391.972 3.703 20 0 GHADLP C[N@H+]1CCC[C@@H]1CSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC001164470393 1026519046 /nfs/dbraw/zinc/51/90/46/1026519046.db2.gz SBGRQILPKQEIIQ-QGZVFWFLSA-N 2 2 391.972 3.703 20 0 GHADLP c1ccc(C2=CC[N@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)CC2)cc1 ZINC001139765110 1026602638 /nfs/dbraw/zinc/60/26/38/1026602638.db2.gz VWRIPNUNFWHGBT-UHFFFAOYSA-N 2 2 378.516 3.687 20 0 GHADLP c1ccc(C2=CC[N@@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)CC2)cc1 ZINC001139765110 1026602640 /nfs/dbraw/zinc/60/26/40/1026602640.db2.gz VWRIPNUNFWHGBT-UHFFFAOYSA-N 2 2 378.516 3.687 20 0 GHADLP COc1cc2[nH+]c(N([C@@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)ccc2c(OC)c1 ZINC001165672189 1026792239 /nfs/dbraw/zinc/79/22/39/1026792239.db2.gz QDTKUQSMXZRQIW-INIZCTEOSA-N 2 2 399.535 3.768 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC2(C[C@@H](OCC3CC3)CO2)CC1 ZINC001140026056 1026813436 /nfs/dbraw/zinc/81/34/36/1026813436.db2.gz UBPGCRNGCGVVMV-OAQYLSRUSA-N 2 2 381.520 3.731 20 0 GHADLP Clc1ccc2c(c1)[nH+]ccc2N1CCN(c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC001166569031 1027029608 /nfs/dbraw/zinc/02/96/08/1027029608.db2.gz ANYCNLSKXKDJGO-UHFFFAOYSA-N 2 2 394.910 3.605 20 0 GHADLP CC(C)C[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1)n1cc[nH+]c1 ZINC001166815613 1027092081 /nfs/dbraw/zinc/09/20/81/1027092081.db2.gz QKWBFKILXZJZDS-FCHUYYIVSA-N 2 2 382.552 3.839 20 0 GHADLP CC(C)C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1)n1cc[nH+]c1 ZINC001166815613 1027092086 /nfs/dbraw/zinc/09/20/86/1027092086.db2.gz QKWBFKILXZJZDS-FCHUYYIVSA-N 2 2 382.552 3.839 20 0 GHADLP Cn1cc(C[NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)c2cccnc21 ZINC001209750033 1027140573 /nfs/dbraw/zinc/14/05/73/1027140573.db2.gz DAGXSLDBTHLHQG-UHFFFAOYSA-N 2 2 396.292 3.583 20 0 GHADLP CCc1[nH]c(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4cccs4)CO3)CC2)c(C)[nH+]1 ZINC001203237440 1027241772 /nfs/dbraw/zinc/24/17/72/1027241772.db2.gz BZPONOGSBYDIKE-KRWDZBQOSA-N 3 2 388.581 3.598 20 0 GHADLP CCc1[nH]c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)c(C)[nH+]1 ZINC001203237440 1027241790 /nfs/dbraw/zinc/24/17/90/1027241790.db2.gz BZPONOGSBYDIKE-KRWDZBQOSA-N 3 2 388.581 3.598 20 0 GHADLP CC1(C)C[C@H]([NH2+]CC[C@@H](O)COCc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001203295833 1027265586 /nfs/dbraw/zinc/26/55/86/1027265586.db2.gz YAZDCHVNQLWVHW-XZOQPEGZSA-N 2 2 382.548 3.597 20 0 GHADLP CC1(C)C[C@H]([NH2+]CC[C@@H](O)COCc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001203295833 1027265601 /nfs/dbraw/zinc/26/56/01/1027265601.db2.gz YAZDCHVNQLWVHW-XZOQPEGZSA-N 2 2 382.548 3.597 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)c(C)c1C ZINC001203719643 1027553264 /nfs/dbraw/zinc/55/32/64/1027553264.db2.gz KTCFDQUDAVECLF-UHFFFAOYSA-N 2 2 382.552 3.676 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)c(C)c1C ZINC001203719643 1027553276 /nfs/dbraw/zinc/55/32/76/1027553276.db2.gz KTCFDQUDAVECLF-UHFFFAOYSA-N 2 2 382.552 3.676 20 0 GHADLP Cc1cccc([C@H](O)C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)c1 ZINC001461329921 1069503290 /nfs/dbraw/zinc/50/32/90/1069503290.db2.gz BSGKKBBBWZJQGG-HXUWFJFHSA-N 2 2 385.895 3.747 20 0 GHADLP C[C@@H]1CC[C@](C)(/C=C/C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000841388502 1028555348 /nfs/dbraw/zinc/55/53/48/1028555348.db2.gz XAPBDVIWLQIOKO-BDSJTVHBSA-N 2 2 375.601 3.680 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]cc2-c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC001214671635 1028851070 /nfs/dbraw/zinc/85/10/70/1028851070.db2.gz HUTIRFMNMNWLST-UHFFFAOYSA-N 2 2 389.381 3.569 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]cc2-c2nc(-c3cc(Cl)ccc3Cl)no2)CC1 ZINC001214674522 1028852274 /nfs/dbraw/zinc/85/22/74/1028852274.db2.gz YALFBMBSQDNTLC-UHFFFAOYSA-N 2 2 390.274 3.857 20 0 GHADLP COc1cc(NCc2c[nH+]c(C)n2-c2ccccc2)ccc1OCC[NH+](C)C ZINC000841892901 1028991527 /nfs/dbraw/zinc/99/15/27/1028991527.db2.gz BUVZLNBFKJAUIL-UHFFFAOYSA-N 2 2 380.492 3.742 20 0 GHADLP COc1cc(C)c(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)c(C)c1 ZINC001142935773 1029716634 /nfs/dbraw/zinc/71/66/34/1029716634.db2.gz HZQJJUKGSQRDCO-UHFFFAOYSA-N 2 2 382.552 3.676 20 0 GHADLP COc1cc(C)c(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)c(C)c1 ZINC001142935773 1029716644 /nfs/dbraw/zinc/71/66/44/1029716644.db2.gz HZQJJUKGSQRDCO-UHFFFAOYSA-N 2 2 382.552 3.676 20 0 GHADLP CCC[N@H+](CC(=O)Nc1cc2oc3ccccc3c2cc1OC)C1CC[NH2+]CC1 ZINC000843360847 1029938347 /nfs/dbraw/zinc/93/83/47/1029938347.db2.gz WMBHZECIAVLFHG-UHFFFAOYSA-N 2 2 395.503 3.997 20 0 GHADLP CCC[N@@H+](CC(=O)Nc1cc2oc3ccccc3c2cc1OC)C1CC[NH2+]CC1 ZINC000843360847 1029938351 /nfs/dbraw/zinc/93/83/51/1029938351.db2.gz WMBHZECIAVLFHG-UHFFFAOYSA-N 2 2 395.503 3.997 20 0 GHADLP CC(C)(C)OC(=O)NCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000404656926 1029941261 /nfs/dbraw/zinc/94/12/61/1029941261.db2.gz PTUVUNKIVBYODN-QZTJIDSGSA-N 2 2 377.504 3.567 20 0 GHADLP CC(C)(C)OC(=O)NCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000404656926 1029941264 /nfs/dbraw/zinc/94/12/64/1029941264.db2.gz PTUVUNKIVBYODN-QZTJIDSGSA-N 2 2 377.504 3.567 20 0 GHADLP Cn1nc(C(F)(F)F)c(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1Cl ZINC000843429824 1030002136 /nfs/dbraw/zinc/00/21/36/1030002136.db2.gz IQRKBEJIRAPIOM-HIFRSBDPSA-N 2 2 386.849 3.527 20 0 GHADLP Cn1nc(C(F)(F)F)c(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1Cl ZINC000843429824 1030002153 /nfs/dbraw/zinc/00/21/53/1030002153.db2.gz IQRKBEJIRAPIOM-HIFRSBDPSA-N 2 2 386.849 3.527 20 0 GHADLP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001222249548 1030031929 /nfs/dbraw/zinc/03/19/29/1030031929.db2.gz OETPYTZUECHIBD-GOSISDBHSA-N 2 2 383.540 3.887 20 0 GHADLP CCOc1cncc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222591345 1030217762 /nfs/dbraw/zinc/21/77/62/1030217762.db2.gz UOIBTBACIHNABV-QFIPXVFZSA-N 2 2 395.547 3.784 20 0 GHADLP CCOc1cncc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222591345 1030217778 /nfs/dbraw/zinc/21/77/78/1030217778.db2.gz UOIBTBACIHNABV-QFIPXVFZSA-N 2 2 395.547 3.784 20 0 GHADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(Br)c(OC(F)(F)F)c2)C1 ZINC001206641492 1030992368 /nfs/dbraw/zinc/99/23/68/1030992368.db2.gz YAQCPCYUTVGXFS-LBPRGKRZSA-N 2 2 381.236 3.909 20 0 GHADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(Br)c(OC(F)(F)F)c2)C1 ZINC001206641492 1030992373 /nfs/dbraw/zinc/99/23/73/1030992373.db2.gz YAQCPCYUTVGXFS-LBPRGKRZSA-N 2 2 381.236 3.909 20 0 GHADLP COc1ccccc1[C@H](CNC(=O)Nc1cc(C)c2[nH+]ccn2c1)[NH+]1CCCC1 ZINC001218781647 1031078106 /nfs/dbraw/zinc/07/81/06/1031078106.db2.gz DQIHFZYNSHIITH-IBGZPJMESA-N 2 2 393.491 3.610 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001461751960 1069724278 /nfs/dbraw/zinc/72/42/78/1069724278.db2.gz KGQBLUMLULHIRX-HZPDHXFCSA-N 2 2 390.553 3.917 20 0 GHADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)C(=O)c2c[nH]c3cc[nH+]cc32)cc1 ZINC001152977506 1031416171 /nfs/dbraw/zinc/41/61/71/1031416171.db2.gz RZVYDDPMMAKXLS-GOSISDBHSA-N 2 2 392.503 3.698 20 0 GHADLP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)C(=O)c2c[nH]c3cc[nH+]cc32)cc1 ZINC001152977506 1031416180 /nfs/dbraw/zinc/41/61/80/1031416180.db2.gz RZVYDDPMMAKXLS-GOSISDBHSA-N 2 2 392.503 3.698 20 0 GHADLP CC(C)(C)[NH+]1CCC(Oc2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001226566202 1032017032 /nfs/dbraw/zinc/01/70/32/1032017032.db2.gz XEPZXOMJFJUSRZ-UHFFFAOYSA-N 2 2 380.536 3.677 20 0 GHADLP CC(C)(C)[NH+]1CCC(Oc2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001226566202 1032017046 /nfs/dbraw/zinc/01/70/46/1032017046.db2.gz XEPZXOMJFJUSRZ-UHFFFAOYSA-N 2 2 380.536 3.677 20 0 GHADLP Cc1c[nH+]c(N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)nc1N1CCCC1 ZINC001157060028 1033394349 /nfs/dbraw/zinc/39/43/49/1033394349.db2.gz QJTOHKCCFDOJIH-UHFFFAOYSA-N 2 2 383.515 3.625 20 0 GHADLP Cc1c[nH+]c(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)nc1N1CCCC1 ZINC001157060028 1033394359 /nfs/dbraw/zinc/39/43/59/1033394359.db2.gz QJTOHKCCFDOJIH-UHFFFAOYSA-N 2 2 383.515 3.625 20 0 GHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001157074556 1033402190 /nfs/dbraw/zinc/40/21/90/1033402190.db2.gz KAATUGILUIUHTB-RMKNXTFCSA-N 2 2 397.494 3.816 20 0 GHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001157074556 1033402198 /nfs/dbraw/zinc/40/21/98/1033402198.db2.gz KAATUGILUIUHTB-RMKNXTFCSA-N 2 2 397.494 3.816 20 0 GHADLP Cc1cc(NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC001205706084 1033539761 /nfs/dbraw/zinc/53/97/61/1033539761.db2.gz ZWUPGLBIEFDQEW-HXUWFJFHSA-N 2 2 377.492 3.771 20 0 GHADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001205914079 1033633033 /nfs/dbraw/zinc/63/30/33/1033633033.db2.gz KUSIUMOQVKKQAE-ZYHUDNBSSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001205914079 1033633041 /nfs/dbraw/zinc/63/30/41/1033633041.db2.gz KUSIUMOQVKKQAE-ZYHUDNBSSA-N 2 2 381.236 3.907 20 0 GHADLP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ncccc1C(F)(F)F ZINC001206684238 1033943605 /nfs/dbraw/zinc/94/36/05/1033943605.db2.gz PIWSWQTWYYRXTJ-UHFFFAOYSA-N 2 2 379.426 3.565 20 0 GHADLP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ncccc1C(F)(F)F ZINC001206684238 1033943608 /nfs/dbraw/zinc/94/36/08/1033943608.db2.gz PIWSWQTWYYRXTJ-UHFFFAOYSA-N 2 2 379.426 3.565 20 0 GHADLP CCOC(=O)c1c(C)cc(N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)[nH+]c1C ZINC001158166691 1033947667 /nfs/dbraw/zinc/94/76/67/1033947667.db2.gz LYEMELKQXJCTIF-WGSAOQKQSA-N 2 2 382.508 3.547 20 0 GHADLP COc1ccccc1OC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001206723136 1033958235 /nfs/dbraw/zinc/95/82/35/1033958235.db2.gz UPQBTZQSLXCFCX-UHFFFAOYSA-N 2 2 396.531 3.571 20 0 GHADLP CCC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)[C@H](c3ccc(Br)cc3)C2)C1 ZINC001206777933 1033979717 /nfs/dbraw/zinc/97/97/17/1033979717.db2.gz XFTRYTMIDDRAQN-FHWLQOOXSA-N 2 2 380.374 3.658 20 0 GHADLP CCC[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)[C@H](c3ccc(Br)cc3)C2)C1 ZINC001206777933 1033979731 /nfs/dbraw/zinc/97/97/31/1033979731.db2.gz XFTRYTMIDDRAQN-FHWLQOOXSA-N 2 2 380.374 3.658 20 0 GHADLP CCC[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)[C@H](c3ccc(Br)cc3)C2)C1 ZINC001206777933 1033979734 /nfs/dbraw/zinc/97/97/34/1033979734.db2.gz XFTRYTMIDDRAQN-FHWLQOOXSA-N 2 2 380.374 3.658 20 0 GHADLP CCC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)[C@H](c3ccc(Br)cc3)C2)C1 ZINC001206777933 1033979735 /nfs/dbraw/zinc/97/97/35/1033979735.db2.gz XFTRYTMIDDRAQN-FHWLQOOXSA-N 2 2 380.374 3.658 20 0 GHADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)nc1 ZINC001158628857 1034210434 /nfs/dbraw/zinc/21/04/34/1034210434.db2.gz OYRGOBSEFAQKGA-OALUTQOASA-N 2 2 378.511 3.938 20 0 GHADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)nc1 ZINC001158628857 1034210449 /nfs/dbraw/zinc/21/04/49/1034210449.db2.gz OYRGOBSEFAQKGA-OALUTQOASA-N 2 2 378.511 3.938 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC001207319097 1034267255 /nfs/dbraw/zinc/26/72/55/1034267255.db2.gz YWIZEYDEHHZIHB-ZWKOTPCHSA-N 2 2 375.513 3.633 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC001207319097 1034267273 /nfs/dbraw/zinc/26/72/73/1034267273.db2.gz YWIZEYDEHHZIHB-ZWKOTPCHSA-N 2 2 375.513 3.633 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001207375911 1034318847 /nfs/dbraw/zinc/31/88/47/1034318847.db2.gz QTJMQDBSOMHONQ-QFIPXVFZSA-N 2 2 399.579 3.909 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001207375911 1034318863 /nfs/dbraw/zinc/31/88/63/1034318863.db2.gz QTJMQDBSOMHONQ-QFIPXVFZSA-N 2 2 399.579 3.909 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3cccc(Cl)c3)CC2)C1 ZINC001207422355 1034357143 /nfs/dbraw/zinc/35/71/43/1034357143.db2.gz PSQUPHIGSHSAQW-GOSISDBHSA-N 2 2 378.944 3.622 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3cccc(Cl)c3)CC2)C1 ZINC001207422355 1034357151 /nfs/dbraw/zinc/35/71/51/1034357151.db2.gz PSQUPHIGSHSAQW-GOSISDBHSA-N 2 2 378.944 3.622 20 0 GHADLP CCC[NH+](CCC)CCN1CC[NH+](CCc2cccc(Br)c2)CC1 ZINC001207509275 1034414379 /nfs/dbraw/zinc/41/43/79/1034414379.db2.gz AJLFOJKVPPTUTM-UHFFFAOYSA-N 2 2 396.417 3.731 20 0 GHADLP C[NH+](C)[C@@H](CNc1cccc(N2CCOCC2)[nH+]1)c1ccc(Cl)cc1Cl ZINC001159516426 1034633678 /nfs/dbraw/zinc/63/36/78/1034633678.db2.gz VTMNYELBNUBCEG-KRWDZBQOSA-N 2 2 395.334 3.940 20 0 GHADLP COc1cc(F)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231603098 1034760026 /nfs/dbraw/zinc/76/00/26/1034760026.db2.gz XAEUWJLLWRZVRF-MTNREXPMSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cc(F)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231603098 1034760039 /nfs/dbraw/zinc/76/00/39/1034760039.db2.gz XAEUWJLLWRZVRF-MTNREXPMSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cc(F)ccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231603098 1034760052 /nfs/dbraw/zinc/76/00/52/1034760052.db2.gz XAEUWJLLWRZVRF-MTNREXPMSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cc(F)ccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231603098 1034760065 /nfs/dbraw/zinc/76/00/65/1034760065.db2.gz XAEUWJLLWRZVRF-MTNREXPMSA-N 2 2 383.511 3.962 20 0 GHADLP C[NH+](C)CCOc1cccc(Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)c1 ZINC001160348223 1034948799 /nfs/dbraw/zinc/94/87/99/1034948799.db2.gz LOMWTMQBHNVUMZ-HXUWFJFHSA-N 2 2 391.462 3.747 20 0 GHADLP Cc1ccc([C@H](C(=O)N(C)CCCc2ccccc2)[NH+]2CCC([NH3+])CC2)cc1 ZINC001160448329 1034977332 /nfs/dbraw/zinc/97/73/32/1034977332.db2.gz DQUJOYHMIKAZMV-HSZRJFAPSA-N 2 2 379.548 3.550 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001232001876 1035035335 /nfs/dbraw/zinc/03/53/35/1035035335.db2.gz IQHRCJVPEMBTNR-HDICACEKSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001232001876 1035035342 /nfs/dbraw/zinc/03/53/42/1035035342.db2.gz IQHRCJVPEMBTNR-HDICACEKSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001232001876 1035035348 /nfs/dbraw/zinc/03/53/48/1035035348.db2.gz IQHRCJVPEMBTNR-HDICACEKSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001232001876 1035035354 /nfs/dbraw/zinc/03/53/54/1035035354.db2.gz IQHRCJVPEMBTNR-HDICACEKSA-N 2 2 375.438 3.973 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001232002004 1035035812 /nfs/dbraw/zinc/03/58/12/1035035812.db2.gz IQHRCJVPEMBTNR-ROUUACIJSA-N 2 2 375.438 3.973 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)[nH]1 ZINC001232077153 1035081061 /nfs/dbraw/zinc/08/10/61/1035081061.db2.gz MRWZQQYUSAZCON-QKYXUNIQSA-N 2 2 387.549 3.595 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)[nH]1 ZINC001232077153 1035081064 /nfs/dbraw/zinc/08/10/64/1035081064.db2.gz MRWZQQYUSAZCON-QKYXUNIQSA-N 2 2 387.549 3.595 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)[nH]1 ZINC001232077153 1035081068 /nfs/dbraw/zinc/08/10/68/1035081068.db2.gz MRWZQQYUSAZCON-QKYXUNIQSA-N 2 2 387.549 3.595 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)[nH]1 ZINC001232077153 1035081072 /nfs/dbraw/zinc/08/10/72/1035081072.db2.gz MRWZQQYUSAZCON-QKYXUNIQSA-N 2 2 387.549 3.595 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cc3ccncc3[nH]1)CC2 ZINC001232089667 1035088525 /nfs/dbraw/zinc/08/85/25/1035088525.db2.gz LTVANNDZDGWVOU-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cc3ccncc3[nH]1)CC2 ZINC001232089667 1035088532 /nfs/dbraw/zinc/08/85/32/1035088532.db2.gz LTVANNDZDGWVOU-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935709 1035102128 /nfs/dbraw/zinc/10/21/28/1035102128.db2.gz LWRQKDQALNWLTI-FDFHNCONSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935709 1035102132 /nfs/dbraw/zinc/10/21/32/1035102132.db2.gz LWRQKDQALNWLTI-FDFHNCONSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208935709 1035102134 /nfs/dbraw/zinc/10/21/34/1035102134.db2.gz LWRQKDQALNWLTI-FDFHNCONSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208935709 1035102137 /nfs/dbraw/zinc/10/21/37/1035102137.db2.gz LWRQKDQALNWLTI-FDFHNCONSA-N 2 2 399.579 3.982 20 0 GHADLP CCOc1cccc(N2CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208952368 1035125394 /nfs/dbraw/zinc/12/53/94/1035125394.db2.gz JJMYSXRXXKNSEB-JOCHJYFZSA-N 2 2 379.548 3.729 20 0 GHADLP CCOc1cccc(N2CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208952368 1035125397 /nfs/dbraw/zinc/12/53/97/1035125397.db2.gz JJMYSXRXXKNSEB-JOCHJYFZSA-N 2 2 379.548 3.729 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)c1 ZINC001232147844 1035126466 /nfs/dbraw/zinc/12/64/66/1035126466.db2.gz MNOJQPPPWWZLQL-DEOSSOPVSA-N 2 2 397.538 3.759 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)c1 ZINC001232147844 1035126468 /nfs/dbraw/zinc/12/64/68/1035126468.db2.gz MNOJQPPPWWZLQL-DEOSSOPVSA-N 2 2 397.538 3.759 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ncc(C)cc2Br)CC1 ZINC001232173078 1035143823 /nfs/dbraw/zinc/14/38/23/1035143823.db2.gz GFVIHYDDJPMDMI-UHFFFAOYSA-N 2 2 375.314 3.595 20 0 GHADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001209002646 1035145006 /nfs/dbraw/zinc/14/50/06/1035145006.db2.gz IWQCSYGUWAUPMU-FQEVSTJZSA-N 2 2 391.531 3.731 20 0 GHADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001209002646 1035145007 /nfs/dbraw/zinc/14/50/07/1035145007.db2.gz IWQCSYGUWAUPMU-FQEVSTJZSA-N 2 2 391.531 3.731 20 0 GHADLP Fc1cccc2c(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)ccnc12 ZINC001232208274 1035163372 /nfs/dbraw/zinc/16/33/72/1035163372.db2.gz OPIPNEFFTOKOMB-UHFFFAOYSA-N 2 2 393.510 3.615 20 0 GHADLP FC(F)(F)c1cccc(CC[N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)c1 ZINC001209116608 1035180351 /nfs/dbraw/zinc/18/03/51/1035180351.db2.gz NKLIGUVHHDJSGN-UHFFFAOYSA-N 2 2 378.442 3.556 20 0 GHADLP FC(F)(F)c1cccc(CC[N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)c1 ZINC001209116608 1035180353 /nfs/dbraw/zinc/18/03/53/1035180353.db2.gz NKLIGUVHHDJSGN-UHFFFAOYSA-N 2 2 378.442 3.556 20 0 GHADLP FC(F)(F)c1ccc(CC[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001209123618 1035183585 /nfs/dbraw/zinc/18/35/85/1035183585.db2.gz YEUTXMUYSYKCFZ-RTBURBONSA-N 2 2 375.438 3.707 20 0 GHADLP Clc1ncc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)s1 ZINC001209462468 1035281339 /nfs/dbraw/zinc/28/13/39/1035281339.db2.gz JMMDMBLSFFHLSC-UHFFFAOYSA-N 2 2 383.970 3.725 20 0 GHADLP Clc1ncc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)s1 ZINC001209462468 1035281342 /nfs/dbraw/zinc/28/13/42/1035281342.db2.gz JMMDMBLSFFHLSC-UHFFFAOYSA-N 2 2 383.970 3.725 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4c(cn3)OCCC4)C[C@H]21 ZINC001209503116 1035294908 /nfs/dbraw/zinc/29/49/08/1035294908.db2.gz SKKBCANPHBUBMQ-UEVCKROQSA-N 2 2 392.547 3.534 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4c(cn3)OCCC4)C[C@H]21 ZINC001209503116 1035294913 /nfs/dbraw/zinc/29/49/13/1035294913.db2.gz SKKBCANPHBUBMQ-UEVCKROQSA-N 2 2 392.547 3.534 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4c(cn3)OCCC4)C[C@H]21 ZINC001209503116 1035294915 /nfs/dbraw/zinc/29/49/15/1035294915.db2.gz SKKBCANPHBUBMQ-UEVCKROQSA-N 2 2 392.547 3.534 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cn3)OCCC4)C[C@H]21 ZINC001209503116 1035294917 /nfs/dbraw/zinc/29/49/17/1035294917.db2.gz SKKBCANPHBUBMQ-UEVCKROQSA-N 2 2 392.547 3.534 20 0 GHADLP [NH3+][C@H](Cc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1)Cc1ccccc1Cl ZINC001248172633 1035599376 /nfs/dbraw/zinc/59/93/76/1035599376.db2.gz YCULLAMZTPGNFF-INIZCTEOSA-N 2 2 379.851 3.688 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(F)c(C(=O)N3CCCCC3)c2)C1 ZINC001243298289 1036104955 /nfs/dbraw/zinc/10/49/55/1036104955.db2.gz VSXMIBZLQKSZBV-LJQANCHMSA-N 2 2 381.495 3.652 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(F)c(C(=O)N3CCCCC3)c2)C1 ZINC001243298289 1036104962 /nfs/dbraw/zinc/10/49/62/1036104962.db2.gz VSXMIBZLQKSZBV-LJQANCHMSA-N 2 2 381.495 3.652 20 0 GHADLP C[C@H]1[NH2+]CC[C@H]1[NH2+]C[C@@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245981999 1037105015 /nfs/dbraw/zinc/10/50/15/1037105015.db2.gz IZARJJROJSJYSE-CXWAGAITSA-N 2 2 377.315 3.938 20 0 GHADLP CCCC[C@H](CC)COC[C@H](O)C[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246034334 1037149216 /nfs/dbraw/zinc/14/92/16/1037149216.db2.gz PWNSHOWIAKYHMW-MZURWIMNSA-N 2 2 388.596 3.802 20 0 GHADLP CCCC[C@H](CC)COC[C@H](O)C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246034334 1037149225 /nfs/dbraw/zinc/14/92/25/1037149225.db2.gz PWNSHOWIAKYHMW-MZURWIMNSA-N 2 2 388.596 3.802 20 0 GHADLP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246204469 1037237179 /nfs/dbraw/zinc/23/71/79/1037237179.db2.gz XGCMLWUQJQMRER-YOEHRIQHSA-N 2 2 399.373 3.809 20 0 GHADLP CCOC(=O)[C@@H]1C[C@@H](n2c(C)c(CC[NH3+])c3c2cc(Cl)cc3Cl)CC[NH2+]1 ZINC001246255885 1037257699 /nfs/dbraw/zinc/25/76/99/1037257699.db2.gz DDNXNYHULYROGN-BBRMVZONSA-N 2 2 398.334 3.614 20 0 GHADLP Clc1nc(C[NH2+][C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)ccc1Br ZINC001246272602 1037269366 /nfs/dbraw/zinc/26/93/66/1037269366.db2.gz RDCQPNQYDDPDHL-GOEBONIOSA-N 2 2 394.744 3.950 20 0 GHADLP COC(=O)c1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246278662 1037273053 /nfs/dbraw/zinc/27/30/53/1037273053.db2.gz LIIGCMQLJDTCQP-INIZCTEOSA-N 2 2 395.341 3.780 20 0 GHADLP COC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246349151 1037309603 /nfs/dbraw/zinc/30/96/03/1037309603.db2.gz HCIPRMPEJJZSJO-LJHODMEESA-N 2 2 385.335 3.589 20 0 GHADLP [NH3+]C1(Cc2ccccc2F)CC[NH+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246422512 1037381241 /nfs/dbraw/zinc/38/12/41/1037381241.db2.gz UKYXZORXHDIJPV-VXKWHMMOSA-N 3 2 381.539 3.525 20 0 GHADLP Fc1cccc(CC2([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC[NH2+]CC2)c1 ZINC001246457388 1037416630 /nfs/dbraw/zinc/41/66/30/1037416630.db2.gz KKRGUDNSTFPBPW-UHFFFAOYSA-N 3 2 381.539 3.745 20 0 GHADLP FC1(F)C[NH2+]CC[C@H]1CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246487792 1037435282 /nfs/dbraw/zinc/43/52/82/1037435282.db2.gz MJPDROQKMILNKN-XSDIEEQYSA-N 3 2 377.523 3.797 20 0 GHADLP FC1(F)C[NH2+]CC[C@H]1CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246487792 1037435301 /nfs/dbraw/zinc/43/53/01/1037435301.db2.gz MJPDROQKMILNKN-XSDIEEQYSA-N 3 2 377.523 3.797 20 0 GHADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC001246525183 1037456819 /nfs/dbraw/zinc/45/68/19/1037456819.db2.gz MPQUYSGDDGQKDM-SCLBCKFNSA-N 2 2 396.409 3.592 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CC[C@]23CCC[NH2+]C3)CC1 ZINC001246607418 1037503694 /nfs/dbraw/zinc/50/36/94/1037503694.db2.gz SYEATHPTLVYGSZ-CKHPTIKVSA-N 2 2 376.928 3.521 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@]23CCC[NH2+]C3)CC1 ZINC001246607418 1037503708 /nfs/dbraw/zinc/50/37/08/1037503708.db2.gz SYEATHPTLVYGSZ-CKHPTIKVSA-N 2 2 376.928 3.521 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2C[C@@H](c4ccccc4)C4(C[NH2+]C4)C2)C3)cc1 ZINC001246617965 1037510111 /nfs/dbraw/zinc/51/01/11/1037510111.db2.gz FAHJDWUYBUZPBP-LIONHTAISA-N 3 2 387.571 3.871 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2C[C@@H](c4ccccc4)C4(C[NH2+]C4)C2)C3)cc1 ZINC001246617965 1037510123 /nfs/dbraw/zinc/51/01/23/1037510123.db2.gz FAHJDWUYBUZPBP-LIONHTAISA-N 3 2 387.571 3.871 20 0 GHADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2C[C@@H](c4ccccc4)C4(C[NH2+]C4)C2)C3)cc1 ZINC001246617965 1037510138 /nfs/dbraw/zinc/51/01/38/1037510138.db2.gz FAHJDWUYBUZPBP-LIONHTAISA-N 3 2 387.571 3.871 20 0 GHADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2C[C@@H](c4ccccc4)C4(C[NH2+]C4)C2)C3)cc1 ZINC001246617965 1037510145 /nfs/dbraw/zinc/51/01/45/1037510145.db2.gz FAHJDWUYBUZPBP-LIONHTAISA-N 3 2 387.571 3.871 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246625737 1037514943 /nfs/dbraw/zinc/51/49/43/1037514943.db2.gz SQLUISSXJBHVTO-DNQXCXABSA-N 3 2 375.560 3.730 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246625737 1037514957 /nfs/dbraw/zinc/51/49/57/1037514957.db2.gz SQLUISSXJBHVTO-DNQXCXABSA-N 3 2 375.560 3.730 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246625737 1037514972 /nfs/dbraw/zinc/51/49/72/1037514972.db2.gz SQLUISSXJBHVTO-DNQXCXABSA-N 3 2 375.560 3.730 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246625737 1037514989 /nfs/dbraw/zinc/51/49/89/1037514989.db2.gz SQLUISSXJBHVTO-DNQXCXABSA-N 3 2 375.560 3.730 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246625739 1037515268 /nfs/dbraw/zinc/51/52/68/1037515268.db2.gz SQLUISSXJBHVTO-RPWUZVMVSA-N 3 2 375.560 3.730 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246625739 1037515284 /nfs/dbraw/zinc/51/52/84/1037515284.db2.gz SQLUISSXJBHVTO-RPWUZVMVSA-N 3 2 375.560 3.730 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246625739 1037515295 /nfs/dbraw/zinc/51/52/95/1037515295.db2.gz SQLUISSXJBHVTO-RPWUZVMVSA-N 3 2 375.560 3.730 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246625739 1037515315 /nfs/dbraw/zinc/51/53/15/1037515315.db2.gz SQLUISSXJBHVTO-RPWUZVMVSA-N 3 2 375.560 3.730 20 0 GHADLP c1ccc(C[NH+]2CCC([N@@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246673428 1037540492 /nfs/dbraw/zinc/54/04/92/1037540492.db2.gz OGOFBMZDAAJJJN-AHWVRZQESA-N 3 2 389.587 3.904 20 0 GHADLP c1ccc(C[NH+]2CCC([N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246673428 1037540505 /nfs/dbraw/zinc/54/05/05/1037540505.db2.gz OGOFBMZDAAJJJN-AHWVRZQESA-N 3 2 389.587 3.904 20 0 GHADLP CC[C@@H]1CC([NH+]2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)C[C@@H](CC)[NH2+]1 ZINC001246749419 1037587697 /nfs/dbraw/zinc/58/76/97/1037587697.db2.gz WLJLMHOVQKLGTJ-DHIUTWEWSA-N 3 2 399.623 3.971 20 0 GHADLP CC[C@@H]1CC([NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)C[C@@H](CC)[NH2+]1 ZINC001246749419 1037587712 /nfs/dbraw/zinc/58/77/12/1037587712.db2.gz WLJLMHOVQKLGTJ-DHIUTWEWSA-N 3 2 399.623 3.971 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)CC[NH2+]1 ZINC001246770392 1037613263 /nfs/dbraw/zinc/61/32/63/1037613263.db2.gz JUDCUEUENYMIKX-TXTKFYIRSA-N 2 2 398.551 3.547 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)CC[NH2+]1 ZINC001246770392 1037613275 /nfs/dbraw/zinc/61/32/75/1037613275.db2.gz JUDCUEUENYMIKX-TXTKFYIRSA-N 2 2 398.551 3.547 20 0 GHADLP FC(F)(F)[C@H]1C[C@@H]([NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)CCN1 ZINC001246776718 1037618737 /nfs/dbraw/zinc/61/87/37/1037618737.db2.gz OXLNRHQEIWRNOX-KBXCAEBGSA-N 2 2 398.860 3.693 20 0 GHADLP C[C@@H]1CC[C@@H](N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C[NH2+]1 ZINC001246793420 1037633658 /nfs/dbraw/zinc/63/36/58/1037633658.db2.gz YTOZKZYRLXSCSC-VGOFRKELSA-N 2 2 385.502 3.812 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@H+]([C@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)CC2 ZINC001246811973 1037645304 /nfs/dbraw/zinc/64/53/04/1037645304.db2.gz FQCVEGKZPQISDB-RBBKRZOGSA-N 2 2 382.479 3.772 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)CC2 ZINC001246811973 1037645308 /nfs/dbraw/zinc/64/53/08/1037645308.db2.gz FQCVEGKZPQISDB-RBBKRZOGSA-N 2 2 382.479 3.772 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC001462205388 1070080397 /nfs/dbraw/zinc/08/03/97/1070080397.db2.gz WZGMDMRACVHMMQ-VQIMIIECSA-N 2 2 379.976 3.787 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001462205388 1070080424 /nfs/dbraw/zinc/08/04/24/1070080424.db2.gz WZGMDMRACVHMMQ-VQIMIIECSA-N 2 2 379.976 3.787 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001246880068 1037693998 /nfs/dbraw/zinc/69/39/98/1037693998.db2.gz PJYIWUQGUOJPNQ-HVHOJJEHSA-N 3 2 375.560 3.513 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246880068 1037694011 /nfs/dbraw/zinc/69/40/11/1037694011.db2.gz PJYIWUQGUOJPNQ-HVHOJJEHSA-N 3 2 375.560 3.513 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001246880068 1037694021 /nfs/dbraw/zinc/69/40/21/1037694021.db2.gz PJYIWUQGUOJPNQ-HVHOJJEHSA-N 3 2 375.560 3.513 20 0 GHADLP C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001246880068 1037694032 /nfs/dbraw/zinc/69/40/32/1037694032.db2.gz PJYIWUQGUOJPNQ-HVHOJJEHSA-N 3 2 375.560 3.513 20 0 GHADLP Fc1cc(F)c(C[N@H+](C2CC[NH2+]CC2)[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)c(F)c1 ZINC001246958560 1037774608 /nfs/dbraw/zinc/77/46/08/1037774608.db2.gz SMXJUODNEJLLQJ-UTKZUKDTSA-N 3 2 381.486 3.580 20 0 GHADLP Fc1cc(F)c(C[N@@H+](C2CC[NH2+]CC2)[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)c(F)c1 ZINC001246958560 1037774631 /nfs/dbraw/zinc/77/46/31/1037774631.db2.gz SMXJUODNEJLLQJ-UTKZUKDTSA-N 3 2 381.486 3.580 20 0 GHADLP COc1ccc(Cl)c2c1C[C@@H]([N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1)CC2 ZINC001246964697 1037788448 /nfs/dbraw/zinc/78/84/48/1037788448.db2.gz PEGKHGHQUUZMPB-ZWKOTPCHSA-N 2 2 385.939 3.855 20 0 GHADLP COc1ccc(Cl)c2c1C[C@@H]([N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1)CC2 ZINC001246964697 1037788455 /nfs/dbraw/zinc/78/84/55/1037788455.db2.gz PEGKHGHQUUZMPB-ZWKOTPCHSA-N 2 2 385.939 3.855 20 0 GHADLP CC1(c2[nH]c3ccc(N4CC[NH+](Cc5ccccc5)CC4)cc3[nH+]2)CC[NH2+]CC1 ZINC001247011126 1037835122 /nfs/dbraw/zinc/83/51/22/1037835122.db2.gz QGDRIJBHPFNLBD-UHFFFAOYSA-N 3 2 389.547 3.526 20 0 GHADLP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4nc5ccccc5o4)CC3)C2)c1 ZINC001232555810 1038321624 /nfs/dbraw/zinc/32/16/24/1038321624.db2.gz BBGJNQHKNHXLBD-UHFFFAOYSA-N 2 2 383.517 3.756 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3ccc(Cl)cc3Br)no2)cc1 ZINC001247697441 1038337141 /nfs/dbraw/zinc/33/71/41/1038337141.db2.gz CHRIUIRMVMZZLO-CQSZACIVSA-N 2 2 393.672 3.778 20 0 GHADLP Cc1cc(-c2noc(-c3ccc([C@@H]([NH3+])C[NH3+])cc3)n2)c(F)cc1Br ZINC001247702411 1038341013 /nfs/dbraw/zinc/34/10/13/1038341013.db2.gz XVWGMGBSPIXGLK-HNNXBMFYSA-N 2 2 391.244 3.572 20 0 GHADLP FC(F)(F)c1ccc(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)cc1Cl ZINC001247861015 1038431487 /nfs/dbraw/zinc/43/14/87/1038431487.db2.gz OPRCVWNJCPNANA-ZDUSSCGKSA-N 2 2 386.805 3.956 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(Cl)ncc3O)C[C@H]21 ZINC001233035621 1038792120 /nfs/dbraw/zinc/79/21/20/1038792120.db2.gz HBQMVYCPMBZITB-KFKAGJAMSA-N 2 2 386.927 3.568 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(Cl)ncc3O)C[C@H]21 ZINC001233035621 1038792137 /nfs/dbraw/zinc/79/21/37/1038792137.db2.gz HBQMVYCPMBZITB-KFKAGJAMSA-N 2 2 386.927 3.568 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Cl)ncc3O)C[C@H]21 ZINC001233035621 1038792151 /nfs/dbraw/zinc/79/21/51/1038792151.db2.gz HBQMVYCPMBZITB-KFKAGJAMSA-N 2 2 386.927 3.568 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)ncc3O)C[C@H]21 ZINC001233035621 1038792168 /nfs/dbraw/zinc/79/21/68/1038792168.db2.gz HBQMVYCPMBZITB-KFKAGJAMSA-N 2 2 386.927 3.568 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3[nH]nc4cc(F)ccc43)C[C@@H]21 ZINC001233124723 1038911280 /nfs/dbraw/zinc/91/12/80/1038911280.db2.gz OMLKRPLGXLKIFF-ITSWEJNFSA-N 2 2 393.510 3.830 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3[nH]nc4cc(F)ccc43)C[C@@H]21 ZINC001233124723 1038911283 /nfs/dbraw/zinc/91/12/83/1038911283.db2.gz OMLKRPLGXLKIFF-ITSWEJNFSA-N 2 2 393.510 3.830 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3[nH]nc4cc(F)ccc43)C[C@@H]21 ZINC001233124723 1038911285 /nfs/dbraw/zinc/91/12/85/1038911285.db2.gz OMLKRPLGXLKIFF-ITSWEJNFSA-N 2 2 393.510 3.830 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3[nH]nc4cc(F)ccc43)C[C@@H]21 ZINC001233124723 1038911290 /nfs/dbraw/zinc/91/12/90/1038911290.db2.gz OMLKRPLGXLKIFF-ITSWEJNFSA-N 2 2 393.510 3.830 20 0 GHADLP CCCCC[N@H+](CCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)Cc1ccccc1 ZINC001252717973 1039093512 /nfs/dbraw/zinc/09/35/12/1039093512.db2.gz KEFXHSRKOWIJTA-UHFFFAOYSA-N 2 2 397.567 3.991 20 0 GHADLP CCCCC[N@@H+](CCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)Cc1ccccc1 ZINC001252717973 1039093530 /nfs/dbraw/zinc/09/35/30/1039093530.db2.gz KEFXHSRKOWIJTA-UHFFFAOYSA-N 2 2 397.567 3.991 20 0 GHADLP CCOC(=O)c1ccnc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001233327442 1039121254 /nfs/dbraw/zinc/12/12/54/1039121254.db2.gz UCKDVHGTHUIISG-KKSHJYNMSA-N 2 2 395.547 3.653 20 0 GHADLP CCOC(=O)c1ccnc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001233327442 1039121264 /nfs/dbraw/zinc/12/12/64/1039121264.db2.gz UCKDVHGTHUIISG-KKSHJYNMSA-N 2 2 395.547 3.653 20 0 GHADLP CCOC(=O)c1ccnc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001233327442 1039121270 /nfs/dbraw/zinc/12/12/70/1039121270.db2.gz UCKDVHGTHUIISG-KKSHJYNMSA-N 2 2 395.547 3.653 20 0 GHADLP CCOC(=O)c1ccnc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001233327442 1039121274 /nfs/dbraw/zinc/12/12/74/1039121274.db2.gz UCKDVHGTHUIISG-KKSHJYNMSA-N 2 2 395.547 3.653 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c(n3)OCCO4)C[C@H]21 ZINC001233858793 1039667695 /nfs/dbraw/zinc/66/76/95/1039667695.db2.gz JQNDRTJNMRARGY-PWIZWCRZSA-N 2 2 399.560 3.647 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c(n3)OCCO4)C[C@H]21 ZINC001233858793 1039667702 /nfs/dbraw/zinc/66/77/02/1039667702.db2.gz JQNDRTJNMRARGY-PWIZWCRZSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4c(n3)OCCO4)C[C@H]21 ZINC001233858793 1039667711 /nfs/dbraw/zinc/66/77/11/1039667711.db2.gz JQNDRTJNMRARGY-PWIZWCRZSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4c(n3)OCCO4)C[C@H]21 ZINC001233858793 1039667717 /nfs/dbraw/zinc/66/77/17/1039667717.db2.gz JQNDRTJNMRARGY-PWIZWCRZSA-N 2 2 399.560 3.647 20 0 GHADLP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC001462428462 1070245348 /nfs/dbraw/zinc/24/53/48/1070245348.db2.gz RICLFXDPAQHCJO-ZWKOTPCHSA-N 2 2 385.552 3.694 20 0 GHADLP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC001462428462 1070245361 /nfs/dbraw/zinc/24/53/61/1070245361.db2.gz RICLFXDPAQHCJO-ZWKOTPCHSA-N 2 2 385.552 3.694 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C12CCC2 ZINC001462437337 1070253100 /nfs/dbraw/zinc/25/31/00/1070253100.db2.gz FQEAUJLDQLUYCP-MOPGFXCFSA-N 2 2 377.573 3.915 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C12CCC2 ZINC001462437337 1070253108 /nfs/dbraw/zinc/25/31/08/1070253108.db2.gz FQEAUJLDQLUYCP-MOPGFXCFSA-N 2 2 377.573 3.915 20 0 GHADLP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCCOc4cc(F)ccc43)c2)CC1 ZINC001254427691 1040225946 /nfs/dbraw/zinc/22/59/46/1040225946.db2.gz AIOCGDNGFQNMNR-JOCHJYFZSA-N 2 2 383.511 3.577 20 0 GHADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)[C@](C)(CO)C1 ZINC001235027630 1040517692 /nfs/dbraw/zinc/51/76/92/1040517692.db2.gz NCVJMNXFZBVESU-SFHVURJKSA-N 2 2 378.314 3.618 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)[C@](C)(CO)C1 ZINC001235027630 1040517708 /nfs/dbraw/zinc/51/77/08/1040517708.db2.gz NCVJMNXFZBVESU-SFHVURJKSA-N 2 2 378.314 3.618 20 0 GHADLP Cc1cccc(C2(C[NH2+][C@H]3CC4CC[NH+](CC4)C3)CCC3(CC2)OCCO3)c1 ZINC001254845785 1040591155 /nfs/dbraw/zinc/59/11/55/1040591155.db2.gz QBRPAMJGHGIQGG-QFIPXVFZSA-N 2 2 384.564 3.624 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CCCC[N@@H+]2[C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254855949 1040601218 /nfs/dbraw/zinc/60/12/18/1040601218.db2.gz RVJNQDQUUKCVGC-LJQANCHMSA-N 2 2 377.573 3.726 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CCCC[N@H+]2[C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254855949 1040601226 /nfs/dbraw/zinc/60/12/26/1040601226.db2.gz RVJNQDQUUKCVGC-LJQANCHMSA-N 2 2 377.573 3.726 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235249061 1040729477 /nfs/dbraw/zinc/72/94/77/1040729477.db2.gz JXUMTZJVFVDZAY-JWQCQUIFSA-N 3 2 393.575 3.739 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235249061 1040729490 /nfs/dbraw/zinc/72/94/90/1040729490.db2.gz JXUMTZJVFVDZAY-JWQCQUIFSA-N 3 2 393.575 3.739 20 0 GHADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3ccc(OC(F)(F)F)cc3)nc1)C2 ZINC001235248445 1040729718 /nfs/dbraw/zinc/72/97/18/1040729718.db2.gz UFMLFOASLIYTCK-VQIMIIECSA-N 2 2 377.410 3.960 20 0 GHADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3ccc(OC(F)(F)F)cc3)nc1)C2 ZINC001235248445 1040729732 /nfs/dbraw/zinc/72/97/32/1040729732.db2.gz UFMLFOASLIYTCK-VQIMIIECSA-N 2 2 377.410 3.960 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2cc(OCC4CCC4)ncn2)C3)cc1 ZINC001255130818 1040826214 /nfs/dbraw/zinc/82/62/14/1040826214.db2.gz AYVVCCSDQWGPAR-UADZTWIMSA-N 2 2 392.547 3.941 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2cc(OCC4CCC4)ncn2)C3)cc1 ZINC001255130818 1040826237 /nfs/dbraw/zinc/82/62/37/1040826237.db2.gz AYVVCCSDQWGPAR-UADZTWIMSA-N 2 2 392.547 3.941 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccnc(OC4CCC4)n2)C3)cc1 ZINC001255134287 1040833727 /nfs/dbraw/zinc/83/37/27/1040833727.db2.gz ZSXVTULFXOVWJS-MZADTFQBSA-N 2 2 378.520 3.693 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccnc(OC4CCC4)n2)C3)cc1 ZINC001255134287 1040833734 /nfs/dbraw/zinc/83/37/34/1040833734.db2.gz ZSXVTULFXOVWJS-MZADTFQBSA-N 2 2 378.520 3.693 20 0 GHADLP Cc1cc(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)cc(C)c1OCCO ZINC001235358747 1040840843 /nfs/dbraw/zinc/84/08/43/1040840843.db2.gz WSXDSLMDMMJMQE-UHFFFAOYSA-N 2 2 382.548 3.771 20 0 GHADLP Cc1cc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)cc(C)c1OCCO ZINC001235358747 1040840858 /nfs/dbraw/zinc/84/08/58/1040840858.db2.gz WSXDSLMDMMJMQE-UHFFFAOYSA-N 2 2 382.548 3.771 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235365263 1040855166 /nfs/dbraw/zinc/85/51/66/1040855166.db2.gz NKYKZIKBXOIHLN-UKILVPOCSA-N 3 2 386.543 3.934 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235365263 1040855190 /nfs/dbraw/zinc/85/51/90/1040855190.db2.gz NKYKZIKBXOIHLN-UKILVPOCSA-N 3 2 386.543 3.934 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c(OCc2ccccc2)c1 ZINC001235400843 1040914350 /nfs/dbraw/zinc/91/43/50/1040914350.db2.gz FKXQNWKMALHVJB-PKTZIBPZSA-N 2 2 384.495 3.798 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c(OCc2ccccc2)c1 ZINC001235400843 1040914355 /nfs/dbraw/zinc/91/43/55/1040914355.db2.gz FKXQNWKMALHVJB-PKTZIBPZSA-N 2 2 384.495 3.798 20 0 GHADLP COc1c(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cccc1OCc1ccccc1 ZINC001235401832 1040914729 /nfs/dbraw/zinc/91/47/29/1040914729.db2.gz UGYAMOQBGKUWRX-GGAORHGYSA-N 2 2 384.495 3.798 20 0 GHADLP COc1c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cccc1OCc1ccccc1 ZINC001235401832 1040914730 /nfs/dbraw/zinc/91/47/30/1040914730.db2.gz UGYAMOQBGKUWRX-GGAORHGYSA-N 2 2 384.495 3.798 20 0 GHADLP Cc1c(Cl)c(Br)ccc1C[N@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001235401151 1040915177 /nfs/dbraw/zinc/91/51/77/1040915177.db2.gz GBVREQIGVQFMTI-OLZOCXBDSA-N 2 2 375.713 3.920 20 0 GHADLP Cc1c(Cl)c(Br)ccc1C[N@@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001235401151 1040915178 /nfs/dbraw/zinc/91/51/78/1040915178.db2.gz GBVREQIGVQFMTI-OLZOCXBDSA-N 2 2 375.713 3.920 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001255247942 1040925053 /nfs/dbraw/zinc/92/50/53/1040925053.db2.gz HANLGXMGFSHZIU-RDGPPVDQSA-N 2 2 387.524 3.774 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001255247942 1040925054 /nfs/dbraw/zinc/92/50/54/1040925054.db2.gz HANLGXMGFSHZIU-RDGPPVDQSA-N 2 2 387.524 3.774 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001255378117 1040970190 /nfs/dbraw/zinc/97/01/90/1040970190.db2.gz MRYGUEBUKVGZPI-GHTZIAJQSA-N 2 2 376.516 3.844 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001255378117 1040970192 /nfs/dbraw/zinc/97/01/92/1040970192.db2.gz MRYGUEBUKVGZPI-GHTZIAJQSA-N 2 2 376.516 3.844 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H](F)[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255382554 1040972724 /nfs/dbraw/zinc/97/27/24/1040972724.db2.gz VWVKIWSWFAVPHO-XUVXKRRUSA-N 2 2 391.531 3.588 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H](F)[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255382554 1040972726 /nfs/dbraw/zinc/97/27/26/1040972726.db2.gz VWVKIWSWFAVPHO-XUVXKRRUSA-N 2 2 391.531 3.588 20 0 GHADLP CCOc1ccc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c(OCC)c1 ZINC001235559150 1040987551 /nfs/dbraw/zinc/98/75/51/1040987551.db2.gz WZRIGQVDZZHHNX-UHFFFAOYSA-N 2 2 398.551 3.729 20 0 GHADLP CCOc1ccc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c(OCC)c1 ZINC001235559150 1040987553 /nfs/dbraw/zinc/98/75/53/1040987553.db2.gz WZRIGQVDZZHHNX-UHFFFAOYSA-N 2 2 398.551 3.729 20 0 GHADLP Fc1cccc(CN2CC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255403871 1040990915 /nfs/dbraw/zinc/99/09/15/1040990915.db2.gz QNSHEMNLWMIHCT-XMMPIXPASA-N 2 2 381.539 3.998 20 0 GHADLP Fc1cccc(CN2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255403871 1040990916 /nfs/dbraw/zinc/99/09/16/1040990916.db2.gz QNSHEMNLWMIHCT-XMMPIXPASA-N 2 2 381.539 3.998 20 0 GHADLP COc1cccc(Cl)c1C[N@@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235645511 1041085120 /nfs/dbraw/zinc/08/51/20/1041085120.db2.gz BVZNYYKZDCBUGH-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP COc1cccc(Cl)c1C[N@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235645511 1041085134 /nfs/dbraw/zinc/08/51/34/1041085134.db2.gz BVZNYYKZDCBUGH-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCO1 ZINC001255528142 1041113354 /nfs/dbraw/zinc/11/33/54/1041113354.db2.gz HKKPNDRXABKFLN-PKTZIBPZSA-N 2 2 382.548 3.597 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC001235689665 1041160760 /nfs/dbraw/zinc/16/07/60/1041160760.db2.gz ABJVLJBLMPYQNL-ZFWWWQNUSA-N 2 2 392.321 3.602 20 0 GHADLP CC[N@H+](Cc1cc(Br)cc(Br)c1F)C1CC[NH2+]CC1 ZINC001235764940 1041255969 /nfs/dbraw/zinc/25/59/69/1041255969.db2.gz SQPTYFWLLSVRFS-UHFFFAOYSA-N 2 2 394.126 3.925 20 0 GHADLP CC[N@@H+](Cc1cc(Br)cc(Br)c1F)C1CC[NH2+]CC1 ZINC001235764940 1041255987 /nfs/dbraw/zinc/25/59/87/1041255987.db2.gz SQPTYFWLLSVRFS-UHFFFAOYSA-N 2 2 394.126 3.925 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H](C)CSc3ccc(F)cc3)CC2)C1 ZINC001255747038 1041267354 /nfs/dbraw/zinc/26/73/54/1041267354.db2.gz ICYYLXKAICADJH-DLBZAZTESA-N 2 2 394.556 3.656 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)CSc3ccc(F)cc3)CC2)C1 ZINC001255747038 1041267373 /nfs/dbraw/zinc/26/73/73/1041267373.db2.gz ICYYLXKAICADJH-DLBZAZTESA-N 2 2 394.556 3.656 20 0 GHADLP Cc1ccc(I)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001235784455 1041272526 /nfs/dbraw/zinc/27/25/26/1041272526.db2.gz LYWRANHMPTWKSR-UHFFFAOYSA-N 2 2 381.261 3.633 20 0 GHADLP COc1cc(N([C@H](C)CSc2ccc(F)cc2)C2CC[NH2+]CC2)cc[nH+]1 ZINC001255750925 1041272319 /nfs/dbraw/zinc/27/23/19/1041272319.db2.gz JOFSNPDCJGZJOA-OAHLLOKOSA-N 2 2 375.513 3.969 20 0 GHADLP COCCC[N@H+](Cc1ccc(Br)c2cccnc12)[C@H]1CCC[NH2+]C1 ZINC001235804039 1041312329 /nfs/dbraw/zinc/31/23/29/1041312329.db2.gz BQNVMVOZACIBKF-INIZCTEOSA-N 2 2 392.341 3.588 20 0 GHADLP COCCC[N@@H+](Cc1ccc(Br)c2cccnc12)[C@H]1CCC[NH2+]C1 ZINC001235804039 1041312339 /nfs/dbraw/zinc/31/23/39/1041312339.db2.gz BQNVMVOZACIBKF-INIZCTEOSA-N 2 2 392.341 3.588 20 0 GHADLP CC1([NH+]2CCN(Cc3c(Cl)cc(Cl)cc3Cl)CC2)CC[NH2+]CC1 ZINC001235821154 1041338543 /nfs/dbraw/zinc/33/85/43/1041338543.db2.gz CKDWKOZAGBKWDL-UHFFFAOYSA-N 2 2 376.759 3.907 20 0 GHADLP [NH3+]C1CC2(C1)C[NH+](Cc1cc(OCc3ccccc3)ccc1Br)C2 ZINC001235821026 1041338582 /nfs/dbraw/zinc/33/85/82/1041338582.db2.gz WZMLPFSHRUTYFF-UHFFFAOYSA-N 2 2 387.321 3.951 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001255958714 1041436889 /nfs/dbraw/zinc/43/68/89/1041436889.db2.gz FDAOAZYCLWWSNK-VQTJNVASSA-N 3 2 393.641 3.924 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001255958714 1041436902 /nfs/dbraw/zinc/43/69/02/1041436902.db2.gz FDAOAZYCLWWSNK-VQTJNVASSA-N 3 2 393.641 3.924 20 0 GHADLP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1c(Br)cccc1OC(F)(F)F)C2 ZINC001235959108 1041467031 /nfs/dbraw/zinc/46/70/31/1041467031.db2.gz SWCYPOUNJGTIBQ-WDAIWFPHSA-N 2 2 379.220 3.517 20 0 GHADLP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1c(Br)cccc1OC(F)(F)F)C2 ZINC001235959108 1041467035 /nfs/dbraw/zinc/46/70/35/1041467035.db2.gz SWCYPOUNJGTIBQ-WDAIWFPHSA-N 2 2 379.220 3.517 20 0 GHADLP CC(C)(C)OC(=O)N1Cc2ccsc2[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001256066442 1041504132 /nfs/dbraw/zinc/50/41/32/1041504132.db2.gz CPMIDFHKPIGNKN-QGZVFWFLSA-N 2 2 377.554 3.756 20 0 GHADLP Brc1ccc2c(c1)CC1(CC[NH+](C3CC[NH+](C4CC4)CC3)CC1)O2 ZINC001256081980 1041512780 /nfs/dbraw/zinc/51/27/80/1041512780.db2.gz PGWZIGRNOCJDDL-UHFFFAOYSA-N 2 2 391.353 3.845 20 0 GHADLP CC(C)COc1ccc(-c2nnc(-c3c[nH+]ccc3N3CC[NH+](C)CC3)o2)cc1 ZINC001256211170 1041650896 /nfs/dbraw/zinc/65/08/96/1041650896.db2.gz ZUTCBRFYXOKXDI-UHFFFAOYSA-N 2 2 393.491 3.585 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[N@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)c1C ZINC001236403375 1041702560 /nfs/dbraw/zinc/70/25/60/1041702560.db2.gz JFYNIFFJLMUBAI-UHFFFAOYSA-N 2 2 387.499 3.702 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)c1C ZINC001236403375 1041702566 /nfs/dbraw/zinc/70/25/66/1041702566.db2.gz JFYNIFFJLMUBAI-UHFFFAOYSA-N 2 2 387.499 3.702 20 0 GHADLP COc1ccc(C[N@H+](Cc2cc(OC)c(C)cc2OC)C2CC[NH2+]CC2)cc1 ZINC001236445949 1041715865 /nfs/dbraw/zinc/71/58/65/1041715865.db2.gz GNCVBXGJOARGNN-UHFFFAOYSA-N 2 2 384.520 3.775 20 0 GHADLP COc1ccc(C[N@@H+](Cc2cc(OC)c(C)cc2OC)C2CC[NH2+]CC2)cc1 ZINC001236445949 1041715869 /nfs/dbraw/zinc/71/58/69/1041715869.db2.gz GNCVBXGJOARGNN-UHFFFAOYSA-N 2 2 384.520 3.775 20 0 GHADLP CCOCC[N@H+](Cc1ccc(OCc2ccccc2)cc1OC)C1CC[NH2+]CC1 ZINC001236462187 1041724250 /nfs/dbraw/zinc/72/42/50/1041724250.db2.gz QRLKRFFCYLEMEM-UHFFFAOYSA-N 2 2 398.547 3.865 20 0 GHADLP CCOCC[N@@H+](Cc1ccc(OCc2ccccc2)cc1OC)C1CC[NH2+]CC1 ZINC001236462187 1041724254 /nfs/dbraw/zinc/72/42/54/1041724254.db2.gz QRLKRFFCYLEMEM-UHFFFAOYSA-N 2 2 398.547 3.865 20 0 GHADLP CC(C)[N@H+](Cc1ccc(-n2ccnc2)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC001236471005 1041730080 /nfs/dbraw/zinc/73/00/80/1041730080.db2.gz UNBSBKOGWBUKNZ-MRXNPFEDSA-N 2 2 377.330 3.597 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(-n2ccnc2)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC001236471005 1041730085 /nfs/dbraw/zinc/73/00/85/1041730085.db2.gz UNBSBKOGWBUKNZ-MRXNPFEDSA-N 2 2 377.330 3.597 20 0 GHADLP COc1cc(C[N@H+](Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)cc(OC)c1 ZINC001236517999 1041750946 /nfs/dbraw/zinc/75/09/46/1041750946.db2.gz WWDJITVLLDDXNQ-UHFFFAOYSA-N 2 2 388.483 3.606 20 0 GHADLP COc1cc(C[N@@H+](Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)cc(OC)c1 ZINC001236517999 1041750949 /nfs/dbraw/zinc/75/09/49/1041750949.db2.gz WWDJITVLLDDXNQ-UHFFFAOYSA-N 2 2 388.483 3.606 20 0 GHADLP O=C1CC2(CN1CC1CC1)CC[NH+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)CC2 ZINC001236909566 1041952575 /nfs/dbraw/zinc/95/25/75/1041952575.db2.gz OUUJUZCISWKCQM-UHFFFAOYSA-N 2 2 398.938 3.750 20 0 GHADLP O=C(NC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1)C1CCCC1 ZINC001236921528 1041960122 /nfs/dbraw/zinc/96/01/22/1041960122.db2.gz JWJJDNIZSNBAIB-UHFFFAOYSA-N 2 2 386.927 3.797 20 0 GHADLP c1ccc(COc2cccc(N3CC[NH+](CC[C@H]4CCCC[NH2+]4)CC3)c2)cc1 ZINC001237015672 1041991323 /nfs/dbraw/zinc/99/13/23/1041991323.db2.gz MOKOMVRQCXWEOW-JOCHJYFZSA-N 2 2 379.548 3.920 20 0 GHADLP FC(F)(F)c1ccccc1-c1cccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CCO3)c1 ZINC001237142736 1042061604 /nfs/dbraw/zinc/06/16/04/1042061604.db2.gz OZQCXUFCYRYTEY-HXUWFJFHSA-N 2 2 376.422 3.937 20 0 GHADLP FC(F)(F)c1ccccc1-c1cccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CCO3)c1 ZINC001237142736 1042061607 /nfs/dbraw/zinc/06/16/07/1042061607.db2.gz OZQCXUFCYRYTEY-HXUWFJFHSA-N 2 2 376.422 3.937 20 0 GHADLP CCOc1cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)ccc1OCCCOC ZINC001237156574 1042068923 /nfs/dbraw/zinc/06/89/23/1042068923.db2.gz OOOWOEQOJVSHBP-FQEVSTJZSA-N 2 2 376.541 3.607 20 0 GHADLP CCOc1cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)ccc1OCCCOC ZINC001237156574 1042068929 /nfs/dbraw/zinc/06/89/29/1042068929.db2.gz OOOWOEQOJVSHBP-FQEVSTJZSA-N 2 2 376.541 3.607 20 0 GHADLP FC(F)Oc1ccc(Br)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001237237039 1042100725 /nfs/dbraw/zinc/10/07/25/1042100725.db2.gz FTGJQQTUOMLODI-UHFFFAOYSA-N 2 2 398.251 3.768 20 0 GHADLP CCOC(=O)[C@@H]1C[N@H+](Cc2c(Cl)ccc(Cl)c2Cl)CCC12C[NH2+]C2 ZINC001237432957 1042206116 /nfs/dbraw/zinc/20/61/16/1042206116.db2.gz YIZQRTQYPHSZCA-LBPRGKRZSA-N 2 2 391.726 3.621 20 0 GHADLP CCOC(=O)[C@@H]1C[N@@H+](Cc2c(Cl)ccc(Cl)c2Cl)CCC12C[NH2+]C2 ZINC001237432957 1042206121 /nfs/dbraw/zinc/20/61/21/1042206121.db2.gz YIZQRTQYPHSZCA-LBPRGKRZSA-N 2 2 391.726 3.621 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)cnc1OC(C)C ZINC001238378868 1042577282 /nfs/dbraw/zinc/57/72/82/1042577282.db2.gz ZFQBDULYSIHJJD-UHFFFAOYSA-N 2 2 397.567 3.541 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)cnc1OC(C)C ZINC001238378868 1042577284 /nfs/dbraw/zinc/57/72/84/1042577284.db2.gz ZFQBDULYSIHJJD-UHFFFAOYSA-N 2 2 397.567 3.541 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(OCC)ccc3C)CC2)C1 ZINC001238710715 1042696148 /nfs/dbraw/zinc/69/61/48/1042696148.db2.gz DLYHHQSYJBBKOY-LJQANCHMSA-N 2 2 388.552 3.633 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc(OCC)ccc3C)CC2)C1 ZINC001238710715 1042696158 /nfs/dbraw/zinc/69/61/58/1042696158.db2.gz DLYHHQSYJBBKOY-LJQANCHMSA-N 2 2 388.552 3.633 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256536809 1043481416 /nfs/dbraw/zinc/48/14/16/1043481416.db2.gz GBTJNTFXCBCBMD-FKVLARQCSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001256536809 1043481423 /nfs/dbraw/zinc/48/14/23/1043481423.db2.gz GBTJNTFXCBCBMD-FKVLARQCSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC[NH+]1Cc1ccccc1 ZINC001256536809 1043481433 /nfs/dbraw/zinc/48/14/33/1043481433.db2.gz GBTJNTFXCBCBMD-FKVLARQCSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@H]1C[C@@H]([N@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC[NH+]1Cc1ccccc1 ZINC001256536809 1043481438 /nfs/dbraw/zinc/48/14/38/1043481438.db2.gz GBTJNTFXCBCBMD-FKVLARQCSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCC3(CC2)OC(=O)c2ccncc23)CC[N@@H+]1Cc1ccccc1 ZINC001256559307 1043535158 /nfs/dbraw/zinc/53/51/58/1043535158.db2.gz KOILNMOKNJOVES-UYAOXDASSA-N 2 2 391.515 3.596 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCC3(CC2)OC(=O)c2ccncc23)CC[N@H+]1Cc1ccccc1 ZINC001256559307 1043535164 /nfs/dbraw/zinc/53/51/64/1043535164.db2.gz KOILNMOKNJOVES-UYAOXDASSA-N 2 2 391.515 3.596 20 0 GHADLP COc1cccnc1O[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256612634 1043577212 /nfs/dbraw/zinc/57/72/12/1043577212.db2.gz OIGMGHYPGIVIBC-NRFANRHFSA-N 2 2 381.520 3.598 20 0 GHADLP COc1cccnc1O[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256612634 1043577220 /nfs/dbraw/zinc/57/72/20/1043577220.db2.gz OIGMGHYPGIVIBC-NRFANRHFSA-N 2 2 381.520 3.598 20 0 GHADLP CN(C(=O)OC(C)(C)C)C1CCC([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC1 ZINC001256660318 1043603054 /nfs/dbraw/zinc/60/30/54/1043603054.db2.gz QDNGNLWKUCDIBU-UHFFFAOYSA-N 2 2 387.568 3.886 20 0 GHADLP Cc1[nH+]cn(C2CCC(N(C)C(=O)OC(C)(C)C)CC2)c1CSCC[NH3+] ZINC001256661887 1043604816 /nfs/dbraw/zinc/60/48/16/1043604816.db2.gz JKDRASKSKMNPDY-UHFFFAOYSA-N 2 2 382.574 3.734 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)C[C@@H]1c1ccccc1 ZINC001256949992 1043768978 /nfs/dbraw/zinc/76/89/78/1043768978.db2.gz CCDCVZQRRAGLQH-WOJBJXKFSA-N 2 2 396.535 3.882 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)C[C@@H]1c1ccccc1 ZINC001256949992 1043768980 /nfs/dbraw/zinc/76/89/80/1043768980.db2.gz CCDCVZQRRAGLQH-WOJBJXKFSA-N 2 2 396.535 3.882 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]cc2-c2nnc([C@@H]3C[C@@H]3c3ccc(Cl)cc3)o2)CC1 ZINC001257708157 1044125148 /nfs/dbraw/zinc/12/51/48/1044125148.db2.gz HRFWNAUUUPGEIX-IAGOWNOFSA-N 2 2 395.894 3.808 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001257805141 1044187888 /nfs/dbraw/zinc/18/78/88/1044187888.db2.gz PSSPOPQXZMUWHL-AVRDEDQJSA-N 2 2 384.524 3.994 20 0 GHADLP Cc1[nH+]cn(C2C[C@H]3C[C@@H](C2)CN(C(=O)OC(C)(C)C)C3)c1CSCC[NH3+] ZINC001257840586 1044214797 /nfs/dbraw/zinc/21/47/97/1044214797.db2.gz RIJBPFQTUXZHAY-SJPCQFCGSA-N 2 2 394.585 3.592 20 0 GHADLP CCOC(=O)CC1CCC([NH2+][C@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC001258023395 1044350194 /nfs/dbraw/zinc/35/01/94/1044350194.db2.gz VRISQXDRANAJBB-QWFMPGPPSA-N 2 2 383.330 3.551 20 0 GHADLP O=C(C1CCCCC1)N1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258148578 1044438585 /nfs/dbraw/zinc/43/85/85/1044438585.db2.gz OKYHARFTJKHUBN-UHFFFAOYSA-N 2 2 397.607 3.808 20 0 GHADLP O=C(C1CCCCC1)N1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258148578 1044438591 /nfs/dbraw/zinc/43/85/91/1044438591.db2.gz OKYHARFTJKHUBN-UHFFFAOYSA-N 2 2 397.607 3.808 20 0 GHADLP [NH3+]C[C@@H]([NH2+]C1CCN(c2cccc(F)c2)CC1)c1ccc(Br)cc1 ZINC001258413525 1044547123 /nfs/dbraw/zinc/54/71/23/1044547123.db2.gz IXRMICFBDYMFGN-LJQANCHMSA-N 2 2 392.316 3.847 20 0 GHADLP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001258711460 1044729470 /nfs/dbraw/zinc/72/94/70/1044729470.db2.gz GIWNGNVCEVVEJS-WXFUMESZSA-N 2 2 380.580 3.975 20 0 GHADLP CCCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001258711460 1044729490 /nfs/dbraw/zinc/72/94/90/1044729490.db2.gz GIWNGNVCEVVEJS-WXFUMESZSA-N 2 2 380.580 3.975 20 0 GHADLP CCCC[C@H](Cc1ccccc1)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001258711460 1044729507 /nfs/dbraw/zinc/72/95/07/1044729507.db2.gz GIWNGNVCEVVEJS-WXFUMESZSA-N 2 2 380.580 3.975 20 0 GHADLP CCCC[C@H](Cc1ccccc1)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001258711460 1044729528 /nfs/dbraw/zinc/72/95/28/1044729528.db2.gz GIWNGNVCEVVEJS-WXFUMESZSA-N 2 2 380.580 3.975 20 0 GHADLP CCC[NH+]1CCC([NH2+]Cc2cncn2Cc2cccc(Br)c2)CC1 ZINC001258770389 1044756108 /nfs/dbraw/zinc/75/61/08/1044756108.db2.gz KRKWHUWVMMSDTL-UHFFFAOYSA-N 2 2 391.357 3.658 20 0 GHADLP COc1cc(C[C@@H](C)N(c2ccc(C)c[nH+]2)C2CC[NH2+]CC2)cc(OC)c1OC ZINC001258876321 1044822948 /nfs/dbraw/zinc/82/29/48/1044822948.db2.gz KMWWOUQVYBEVGW-QGZVFWFLSA-N 2 2 399.535 3.605 20 0 GHADLP COc1cc(C[C@@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc(OC)c1OC ZINC001258877484 1044825827 /nfs/dbraw/zinc/82/58/27/1044825827.db2.gz WLHUNNMXNUJSDI-SJLPKXTDSA-N 2 2 386.492 3.500 20 0 GHADLP COc1cc(C[C@@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc(OC)c1OC ZINC001258877484 1044825850 /nfs/dbraw/zinc/82/58/50/1044825850.db2.gz WLHUNNMXNUJSDI-SJLPKXTDSA-N 2 2 386.492 3.500 20 0 GHADLP CC(C)C[C@@H](C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C)n1cc[nH+]c1 ZINC001298721704 1045929429 /nfs/dbraw/zinc/92/94/29/1045929429.db2.gz FZJUOMKEAKBOPZ-SFTDATJTSA-N 2 2 386.540 3.677 20 0 GHADLP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000567260335 1046052745 /nfs/dbraw/zinc/05/27/45/1046052745.db2.gz KNKCMIYRMGPZRK-ICSRJNTNSA-N 2 2 392.952 3.717 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)N(C)CCCC[NH+]3CCCCC3)cn2c1 ZINC001303047452 1047260102 /nfs/dbraw/zinc/26/01/02/1047260102.db2.gz VEIHPWFTFHSNLA-UHFFFAOYSA-N 2 2 388.581 3.600 20 0 GHADLP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N)cc1Cl ZINC001279497406 1047825614 /nfs/dbraw/zinc/82/56/14/1047825614.db2.gz PLYZHSKWXZPOHW-ALOPSCKCSA-N 2 2 376.957 3.972 20 0 GHADLP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N)cc1Cl ZINC001279497406 1047825621 /nfs/dbraw/zinc/82/56/21/1047825621.db2.gz PLYZHSKWXZPOHW-ALOPSCKCSA-N 2 2 376.957 3.972 20 0 GHADLP O=c1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](CC4CCSCC4)C3)C2)[nH]1 ZINC001279644345 1047887135 /nfs/dbraw/zinc/88/71/35/1047887135.db2.gz HPMXXLMVKGCADC-OAQYLSRUSA-N 2 2 375.582 3.608 20 0 GHADLP O=c1cccc(C[N@H+]2CCC[C@@]3(CCC[NH+](CC4CCSCC4)C3)C2)[nH]1 ZINC001279644345 1047887151 /nfs/dbraw/zinc/88/71/51/1047887151.db2.gz HPMXXLMVKGCADC-OAQYLSRUSA-N 2 2 375.582 3.608 20 0 GHADLP O=c1cccc(C[NH+]2CCC[C@@]3(CCC[N@H+](CC4CCSCC4)C3)C2)[nH]1 ZINC001279644345 1047887165 /nfs/dbraw/zinc/88/71/65/1047887165.db2.gz HPMXXLMVKGCADC-OAQYLSRUSA-N 2 2 375.582 3.608 20 0 GHADLP O=c1cccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](CC4CCSCC4)C3)C2)[nH]1 ZINC001279644345 1047887183 /nfs/dbraw/zinc/88/71/83/1047887183.db2.gz HPMXXLMVKGCADC-OAQYLSRUSA-N 2 2 375.582 3.608 20 0 GHADLP Nc1ncc(C[N@@H+]2CCC[C@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)s1 ZINC001279694067 1047919584 /nfs/dbraw/zinc/91/95/84/1047919584.db2.gz RBBZFFUQGLTJOM-INIZCTEOSA-N 2 2 376.492 3.746 20 0 GHADLP Nc1ncc(C[N@H+]2CCC[C@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)s1 ZINC001279694067 1047919585 /nfs/dbraw/zinc/91/95/85/1047919585.db2.gz RBBZFFUQGLTJOM-INIZCTEOSA-N 2 2 376.492 3.746 20 0 GHADLP Nc1ncc(C[NH+]2CCC[C@]3(CCC[N@H+](CCCC(F)(F)F)C3)C2)s1 ZINC001279694067 1047919591 /nfs/dbraw/zinc/91/95/91/1047919591.db2.gz RBBZFFUQGLTJOM-INIZCTEOSA-N 2 2 376.492 3.746 20 0 GHADLP Nc1ncc(C[NH+]2CCC[C@]3(CCC[N@@H+](CCCC(F)(F)F)C3)C2)s1 ZINC001279694067 1047919596 /nfs/dbraw/zinc/91/95/96/1047919596.db2.gz RBBZFFUQGLTJOM-INIZCTEOSA-N 2 2 376.492 3.746 20 0 GHADLP CC(C)c1ccc(C[NH+]2CC3(C2)CCN(CC[NH+](C)C)C3)c(Br)c1 ZINC001280099446 1048079112 /nfs/dbraw/zinc/07/91/12/1048079112.db2.gz PRIHLBFKPMPPHU-UHFFFAOYSA-N 2 2 394.401 3.642 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(c3ccc(C(F)(F)F)c(Cl)n3)CC2)CC1 ZINC001307145729 1049102704 /nfs/dbraw/zinc/10/27/04/1049102704.db2.gz MGAWFYBFVZMHMR-UHFFFAOYSA-N 2 2 390.881 3.750 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(c3ccc(C(F)(F)F)c(Cl)n3)CC2)CC1 ZINC001307145729 1049102711 /nfs/dbraw/zinc/10/27/11/1049102711.db2.gz MGAWFYBFVZMHMR-UHFFFAOYSA-N 2 2 390.881 3.750 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001307886959 1049667441 /nfs/dbraw/zinc/66/74/41/1049667441.db2.gz ZIKHKAGLIIUKPB-HSALFYBXSA-N 2 2 395.547 3.755 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1)[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001307886959 1049667449 /nfs/dbraw/zinc/66/74/49/1049667449.db2.gz ZIKHKAGLIIUKPB-HSALFYBXSA-N 2 2 395.547 3.755 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1)[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001307886959 1049667453 /nfs/dbraw/zinc/66/74/53/1049667453.db2.gz ZIKHKAGLIIUKPB-HSALFYBXSA-N 2 2 395.547 3.755 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1)[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001307886959 1049667460 /nfs/dbraw/zinc/66/74/60/1049667460.db2.gz ZIKHKAGLIIUKPB-HSALFYBXSA-N 2 2 395.547 3.755 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001308078513 1049824953 /nfs/dbraw/zinc/82/49/53/1049824953.db2.gz TWODOMCPJMNGFB-IEBWSBKVSA-N 2 2 384.524 3.855 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001308078513 1049824965 /nfs/dbraw/zinc/82/49/65/1049824965.db2.gz TWODOMCPJMNGFB-IEBWSBKVSA-N 2 2 384.524 3.855 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC001308165160 1049896338 /nfs/dbraw/zinc/89/63/38/1049896338.db2.gz LBBJXMANNIYESM-RXVVDRJESA-N 2 2 380.536 3.837 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC001308165160 1049896340 /nfs/dbraw/zinc/89/63/40/1049896340.db2.gz LBBJXMANNIYESM-RXVVDRJESA-N 2 2 380.536 3.837 20 0 GHADLP Clc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001308244141 1049924227 /nfs/dbraw/zinc/92/42/27/1049924227.db2.gz YVWWEQDLHAJMOP-QFIPXVFZSA-N 2 2 386.923 3.828 20 0 GHADLP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001308681169 1050057371 /nfs/dbraw/zinc/05/73/71/1050057371.db2.gz MWDCZSNMHYUYAU-FQEVSTJZSA-N 2 2 377.536 3.986 20 0 GHADLP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001308681169 1050057376 /nfs/dbraw/zinc/05/73/76/1050057376.db2.gz MWDCZSNMHYUYAU-FQEVSTJZSA-N 2 2 377.536 3.986 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)C1CC1 ZINC001308708385 1050067124 /nfs/dbraw/zinc/06/71/24/1050067124.db2.gz DGMGARYMYUHGGG-WLXPTCNVSA-N 3 2 385.596 3.520 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)C1CC1 ZINC001308708385 1050067130 /nfs/dbraw/zinc/06/71/30/1050067130.db2.gz DGMGARYMYUHGGG-WLXPTCNVSA-N 3 2 385.596 3.520 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(C)c2)c1C ZINC001327475627 1050193060 /nfs/dbraw/zinc/19/30/60/1050193060.db2.gz QBOSGQIQXDIJEE-OAQYLSRUSA-N 2 2 381.520 3.686 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(C)c2)c1C ZINC001327475627 1050193067 /nfs/dbraw/zinc/19/30/67/1050193067.db2.gz QBOSGQIQXDIJEE-OAQYLSRUSA-N 2 2 381.520 3.686 20 0 GHADLP COc1ccc([C@@H](CNC(=O)Nc2cc(C)c3[nH+]ccn3c2)[NH+]2CCCC2)cc1 ZINC001310807920 1051608410 /nfs/dbraw/zinc/60/84/10/1051608410.db2.gz ZATLKJSLEZTTAN-HXUWFJFHSA-N 2 2 393.491 3.610 20 0 GHADLP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC001311048613 1051804915 /nfs/dbraw/zinc/80/49/15/1051804915.db2.gz OCVVRRFCXHTZFE-OALUTQOASA-N 2 2 378.586 3.857 20 0 GHADLP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC001311048613 1051804925 /nfs/dbraw/zinc/80/49/25/1051804925.db2.gz OCVVRRFCXHTZFE-OALUTQOASA-N 2 2 378.586 3.857 20 0 GHADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001311247596 1051966456 /nfs/dbraw/zinc/96/64/56/1051966456.db2.gz QSSPDVIELMZEOK-FQEVSTJZSA-N 2 2 385.556 3.991 20 0 GHADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001311247596 1051966459 /nfs/dbraw/zinc/96/64/59/1051966459.db2.gz QSSPDVIELMZEOK-FQEVSTJZSA-N 2 2 385.556 3.991 20 0 GHADLP Nc1cc(N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)nc[nH+]1 ZINC001318331952 1054571569 /nfs/dbraw/zinc/57/15/69/1054571569.db2.gz WPLHVQYJKZKLKM-UHFFFAOYSA-N 2 2 385.924 3.763 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC001318603153 1054743930 /nfs/dbraw/zinc/74/39/30/1054743930.db2.gz DPAOJOIHZRBJKL-UHFFFAOYSA-N 2 2 384.443 3.502 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC001318696902 1054801641 /nfs/dbraw/zinc/80/16/41/1054801641.db2.gz MBAKGGCKMIXWHG-NRFANRHFSA-N 2 2 375.476 3.569 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC001318696902 1054801656 /nfs/dbraw/zinc/80/16/56/1054801656.db2.gz MBAKGGCKMIXWHG-NRFANRHFSA-N 2 2 375.476 3.569 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]Cc3ccccc3N3CCCC3)C2)cc1 ZINC001321149530 1056121260 /nfs/dbraw/zinc/12/12/60/1056121260.db2.gz PTWGZLCZOOIYRM-QHCPKHFHSA-N 2 2 379.548 3.668 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]Cc3ccccc3N3CCCC3)C2)cc1 ZINC001321149530 1056121273 /nfs/dbraw/zinc/12/12/73/1056121273.db2.gz PTWGZLCZOOIYRM-QHCPKHFHSA-N 2 2 379.548 3.668 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC001300614234 1056664013 /nfs/dbraw/zinc/66/40/13/1056664013.db2.gz WNJISHUATCJNJK-UHFFFAOYSA-N 2 2 394.003 3.833 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC001300614234 1056664017 /nfs/dbraw/zinc/66/40/17/1056664017.db2.gz WNJISHUATCJNJK-UHFFFAOYSA-N 2 2 394.003 3.833 20 0 GHADLP CC[NH+](CC)C1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC001323338228 1056954897 /nfs/dbraw/zinc/95/48/97/1056954897.db2.gz SILHHADKXRBZGR-HNNXBMFYSA-N 2 2 375.340 3.539 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C ZINC001323992472 1057051458 /nfs/dbraw/zinc/05/14/58/1057051458.db2.gz UTEFCQUDKXHOLY-UHFFFAOYSA-N 2 2 392.850 3.882 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3cc(-c4ccc(Br)cc4)cn3)CC[C@H]21 ZINC000848481767 1057118330 /nfs/dbraw/zinc/11/83/30/1057118330.db2.gz GAEPJIVBFKJNMM-VQIMIIECSA-N 2 2 389.341 3.686 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3cc(-c4ccc(Br)cc4)cn3)CC[C@H]21 ZINC000848481767 1057118331 /nfs/dbraw/zinc/11/83/31/1057118331.db2.gz GAEPJIVBFKJNMM-VQIMIIECSA-N 2 2 389.341 3.686 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3cc(-c4ccc(Br)cc4)cn3)CC[C@H]21 ZINC000848481767 1057118333 /nfs/dbraw/zinc/11/83/33/1057118333.db2.gz GAEPJIVBFKJNMM-VQIMIIECSA-N 2 2 389.341 3.686 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3cc(-c4ccc(Br)cc4)cn3)CC[C@H]21 ZINC000848481767 1057118335 /nfs/dbraw/zinc/11/83/35/1057118335.db2.gz GAEPJIVBFKJNMM-VQIMIIECSA-N 2 2 389.341 3.686 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C[C@H]2C1 ZINC000848568264 1057184028 /nfs/dbraw/zinc/18/40/28/1057184028.db2.gz CHCCLRIQOPTAIX-FSGKZVOOSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)C[C@H]2C1 ZINC000848568264 1057184030 /nfs/dbraw/zinc/18/40/30/1057184030.db2.gz CHCCLRIQOPTAIX-FSGKZVOOSA-N 2 2 377.573 3.629 20 0 GHADLP [NH3+]Cc1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)cc(C(F)(F)F)c1 ZINC001326372212 1057468795 /nfs/dbraw/zinc/46/87/95/1057468795.db2.gz ORFVQOPJUMTLMW-GOSISDBHSA-N 2 2 392.425 3.552 20 0 GHADLP [NH3+]Cc1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)cc(C(F)(F)F)c1 ZINC001326372212 1057468807 /nfs/dbraw/zinc/46/88/07/1057468807.db2.gz ORFVQOPJUMTLMW-GOSISDBHSA-N 2 2 392.425 3.552 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)[NH+]2CCCC2)o1 ZINC001442884780 1059024057 /nfs/dbraw/zinc/02/40/57/1059024057.db2.gz QHVJBIGIMDFBLX-LJQANCHMSA-N 2 2 385.508 3.734 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1coc(/C=C\C(=O)OC(C)(C)C)c1 ZINC001444201690 1059280852 /nfs/dbraw/zinc/28/08/52/1059280852.db2.gz AQGLELOHTPZOHV-WAYWQWQTSA-N 2 2 394.431 3.776 20 0 GHADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)s1 ZINC001444348090 1059314149 /nfs/dbraw/zinc/31/41/49/1059314149.db2.gz KSXWGAIJFIBSMD-SFHVURJKSA-N 2 2 389.609 3.609 20 0 GHADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)s1 ZINC001444348090 1059314168 /nfs/dbraw/zinc/31/41/68/1059314168.db2.gz KSXWGAIJFIBSMD-SFHVURJKSA-N 2 2 389.609 3.609 20 0 GHADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001450401673 1060588249 /nfs/dbraw/zinc/58/82/49/1060588249.db2.gz LJQROUOVJSRZBZ-FCHUYYIVSA-N 2 2 389.559 3.807 20 0 GHADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001450401673 1060588268 /nfs/dbraw/zinc/58/82/68/1060588268.db2.gz LJQROUOVJSRZBZ-FCHUYYIVSA-N 2 2 389.559 3.807 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)N3[C@@H](CC[NH+](C)C)CCC[C@@H]3C)cn2c1 ZINC001453753124 1061200711 /nfs/dbraw/zinc/20/07/11/1061200711.db2.gz QMOCZMBMWUOTNR-PKOBYXMFSA-N 2 2 388.581 3.597 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCCc3ccc4ccccc4c3)c2)CC1 ZINC001454649047 1061900708 /nfs/dbraw/zinc/90/07/08/1061900708.db2.gz GYRCEKNUGKOJJF-UHFFFAOYSA-N 2 2 388.515 3.948 20 0 GHADLP CN(CCCn1cc[nH+]c1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001347602643 1062519305 /nfs/dbraw/zinc/51/93/05/1062519305.db2.gz JYSMYAVJXZZQER-FRIKZZABSA-N 2 2 395.551 3.500 20 0 GHADLP CN(CCCn1cc[nH+]c1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001347602643 1062519325 /nfs/dbraw/zinc/51/93/25/1062519325.db2.gz JYSMYAVJXZZQER-FRIKZZABSA-N 2 2 395.551 3.500 20 0 GHADLP CCc1ccc(F)cc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001435866843 1062970413 /nfs/dbraw/zinc/97/04/13/1062970413.db2.gz XYTRTJNVFAYSAQ-YADHBBJMSA-N 2 2 389.559 3.797 20 0 GHADLP CCc1ccc(F)cc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001435866843 1062970414 /nfs/dbraw/zinc/97/04/14/1062970414.db2.gz XYTRTJNVFAYSAQ-YADHBBJMSA-N 2 2 389.559 3.797 20 0 GHADLP CN(C(=O)C/C=C\Cc1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001466644504 1066230027 /nfs/dbraw/zinc/23/00/27/1066230027.db2.gz ZACLYBWFNDVKIF-JKVNFXRFSA-N 2 2 397.607 3.971 20 0 GHADLP CN(C(=O)C/C=C\Cc1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001466644504 1066230043 /nfs/dbraw/zinc/23/00/43/1066230043.db2.gz ZACLYBWFNDVKIF-JKVNFXRFSA-N 2 2 397.607 3.971 20 0 GHADLP CSc1ccc([C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)[NH+](C)C)cc1 ZINC000849113107 1067734953 /nfs/dbraw/zinc/73/49/53/1067734953.db2.gz NVAGQQFSWSZCCZ-RTBURBONSA-N 2 2 384.549 3.649 20 0 GHADLP C[NH+](C)CC[C@H](NC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)C(C)(C)C ZINC001468759358 1067864598 /nfs/dbraw/zinc/86/45/98/1067864598.db2.gz DVTRDSKFFKSWCL-HKUYNNGSSA-N 2 2 391.604 3.894 20 0 GHADLP CCCCCC[C@@H](CC)CN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001477926519 1078631882 /nfs/dbraw/zinc/63/18/82/1078631882.db2.gz IKBVEWRRIFCEQN-WOJBJXKFSA-N 2 2 380.621 3.793 20 0 GHADLP CCCCCC[C@@H](CC)CN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001477926519 1078631884 /nfs/dbraw/zinc/63/18/84/1078631884.db2.gz IKBVEWRRIFCEQN-WOJBJXKFSA-N 2 2 380.621 3.793 20 0 GHADLP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001470177756 1068612274 /nfs/dbraw/zinc/61/22/74/1068612274.db2.gz UGTBHKDPVYQQPS-VXKWHMMOSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001470177756 1068612277 /nfs/dbraw/zinc/61/22/77/1068612277.db2.gz UGTBHKDPVYQQPS-VXKWHMMOSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001470177756 1068612281 /nfs/dbraw/zinc/61/22/81/1068612281.db2.gz UGTBHKDPVYQQPS-VXKWHMMOSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001470177756 1068612283 /nfs/dbraw/zinc/61/22/83/1068612283.db2.gz UGTBHKDPVYQQPS-VXKWHMMOSA-N 2 2 387.543 3.703 20 0 GHADLP CC(C)[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H](O)c1ccccc1 ZINC001460077398 1068766945 /nfs/dbraw/zinc/76/69/45/1068766945.db2.gz ATQIGQXWSLOKOT-KMDXXIMOSA-N 2 2 382.548 3.625 20 0 GHADLP CC(C)[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H](O)c1ccccc1 ZINC001460077398 1068766955 /nfs/dbraw/zinc/76/69/55/1068766955.db2.gz ATQIGQXWSLOKOT-KMDXXIMOSA-N 2 2 382.548 3.625 20 0 GHADLP CCCC[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@@H]1CCc2ncsc2C1 ZINC001460337196 1068930928 /nfs/dbraw/zinc/93/09/28/1068930928.db2.gz KHJYOFSBLHNMGI-UXHICEINSA-N 2 2 387.593 3.595 20 0 GHADLP CCCC[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@@H]1CCc2ncsc2C1 ZINC001460337196 1068930932 /nfs/dbraw/zinc/93/09/32/1068930932.db2.gz KHJYOFSBLHNMGI-UXHICEINSA-N 2 2 387.593 3.595 20 0 GHADLP CCCC[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@@H]1CCc2ncsc2C1 ZINC001460337196 1068930935 /nfs/dbraw/zinc/93/09/35/1068930935.db2.gz KHJYOFSBLHNMGI-UXHICEINSA-N 2 2 387.593 3.595 20 0 GHADLP CCCC[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCc2ncsc2C1 ZINC001460337196 1068930939 /nfs/dbraw/zinc/93/09/39/1068930939.db2.gz KHJYOFSBLHNMGI-UXHICEINSA-N 2 2 387.593 3.595 20 0 GHADLP C[N@H+](CCSc1ccc(F)cc1F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001460562617 1068997244 /nfs/dbraw/zinc/99/72/44/1068997244.db2.gz ZVMGCKJUBXPSMS-OAQYLSRUSA-N 2 2 392.515 3.626 20 0 GHADLP C[N@@H+](CCSc1ccc(F)cc1F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001460562617 1068997247 /nfs/dbraw/zinc/99/72/47/1068997247.db2.gz ZVMGCKJUBXPSMS-OAQYLSRUSA-N 2 2 392.515 3.626 20 0 GHADLP C[NH+](CCSc1ccc(F)cc1F)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001460562617 1068997256 /nfs/dbraw/zinc/99/72/56/1068997256.db2.gz ZVMGCKJUBXPSMS-OAQYLSRUSA-N 2 2 392.515 3.626 20 0 GHADLP C[NH+](CCSc1ccc(F)cc1F)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001460562617 1068997257 /nfs/dbraw/zinc/99/72/57/1068997257.db2.gz ZVMGCKJUBXPSMS-OAQYLSRUSA-N 2 2 392.515 3.626 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CCC[C@H](C(C)C)CC3)CC2)CC1 ZINC001478485549 1078887348 /nfs/dbraw/zinc/88/73/48/1078887348.db2.gz BXJHFILACYJDJK-SFTDATJTSA-N 2 2 392.632 3.793 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CCC[C@H](C(C)C)CC3)CC2)CC1 ZINC001478485549 1078887353 /nfs/dbraw/zinc/88/73/53/1078887353.db2.gz BXJHFILACYJDJK-SFTDATJTSA-N 2 2 392.632 3.793 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001479143811 1079121510 /nfs/dbraw/zinc/12/15/10/1079121510.db2.gz YEJHMPRKDKVFRZ-QHCPKHFHSA-N 2 2 394.563 3.727 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001479143811 1079121513 /nfs/dbraw/zinc/12/15/13/1079121513.db2.gz YEJHMPRKDKVFRZ-QHCPKHFHSA-N 2 2 394.563 3.727 20 0 GHADLP CCO[C@@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001473548792 1074012843 /nfs/dbraw/zinc/01/28/43/1074012843.db2.gz VYFAHEZZARXQDX-NHCUHLMSSA-N 2 2 379.976 3.789 20 0 GHADLP C[C@@]1([NH2+]CCCN2CCCC2=O)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001473843788 1074171166 /nfs/dbraw/zinc/17/11/66/1074171166.db2.gz LSBDNOKWJJPKIL-UKILVPOCSA-N 2 2 391.559 3.647 20 0 GHADLP C[C@@]1([NH2+]CCCN2CCCC2=O)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001473843788 1074171170 /nfs/dbraw/zinc/17/11/70/1074171170.db2.gz LSBDNOKWJJPKIL-UKILVPOCSA-N 2 2 391.559 3.647 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001473894706 1074193483 /nfs/dbraw/zinc/19/34/83/1074193483.db2.gz ODKIINPUCALJKP-MRXNPFEDSA-N 2 2 380.492 3.565 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001473935842 1074210701 /nfs/dbraw/zinc/21/07/01/1074210701.db2.gz QIYSPDORDUXNSV-HZPDHXFCSA-N 3 2 397.510 3.527 20 0 GHADLP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cn(-c4ccc(F)cc4)nn3)c2)CC1 ZINC001473988868 1074227200 /nfs/dbraw/zinc/22/72/00/1074227200.db2.gz MNSIZIBVUBIIFE-UHFFFAOYSA-N 2 2 393.510 3.928 20 0 GHADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001474068124 1074253317 /nfs/dbraw/zinc/25/33/17/1074253317.db2.gz QGKZQBJXLGJZRY-IRXDYDNUSA-N 2 2 376.850 3.826 20 0 GHADLP CCCOc1cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)ccc1OC ZINC001474077058 1074255944 /nfs/dbraw/zinc/25/59/44/1074255944.db2.gz SEPMNSQMXUDKMG-IBGZPJMESA-N 2 2 384.524 3.631 20 0 GHADLP FC(F)(F)c1nc2n(c1C[NH2+]C1CC[NH+](CC3CCCC3)CC1)CCCC2 ZINC001474101205 1074264089 /nfs/dbraw/zinc/26/40/89/1074264089.db2.gz LZUZCSJXEDWGNV-UHFFFAOYSA-N 2 2 384.490 3.982 20 0 GHADLP CC(C)(C[NH2+]Cc1ccc(F)cc1I)C[NH+]1CCCC1 ZINC001474133558 1074272832 /nfs/dbraw/zinc/27/28/32/1074272832.db2.gz ZJPYUBVQLGWLBI-UHFFFAOYSA-N 2 2 390.284 3.642 20 0 GHADLP Cc1cccc(C2([NH2+]Cc3ccc(OCC[NH+]4CCOCC4)cc3)CCC2)c1 ZINC001474189915 1074288017 /nfs/dbraw/zinc/28/80/17/1074288017.db2.gz CNEYMDQPSODYGH-UHFFFAOYSA-N 2 2 380.532 3.875 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000826284105 607531273 /nfs/dbraw/zinc/53/12/73/607531273.db2.gz KIPKJTXGPNEHMN-UTKZUKDTSA-N 2 2 387.491 3.772 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545272 609338052 /nfs/dbraw/zinc/33/80/52/609338052.db2.gz BVPVORLIIMECHJ-BXWFABGCSA-N 2 2 394.498 3.710 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545272 609338053 /nfs/dbraw/zinc/33/80/53/609338053.db2.gz BVPVORLIIMECHJ-BXWFABGCSA-N 2 2 394.498 3.710 20 0 GHADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCn3c(c[nH+]c3C)C2)n1 ZINC001164440400 718991293 /nfs/dbraw/zinc/99/12/93/718991293.db2.gz NEVKGZIKEPVTCN-UHFFFAOYSA-N 2 2 384.553 3.675 20 0 GHADLP Cc1cc2ccccc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)[nH+]1 ZINC001164808251 721567535 /nfs/dbraw/zinc/56/75/35/721567535.db2.gz UWPLGHMPQCIMPL-VABKMULXSA-N 2 2 388.515 3.806 20 0 GHADLP Cc1cc2ccccc2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)[nH+]1 ZINC001164808251 721567537 /nfs/dbraw/zinc/56/75/37/721567537.db2.gz UWPLGHMPQCIMPL-VABKMULXSA-N 2 2 388.515 3.806 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C)[nH+]c(C5CC5)n4)CC3)C2)cc1 ZINC001164939089 721931889 /nfs/dbraw/zinc/93/18/89/721931889.db2.gz IZLGRWRHNFQEEO-UHFFFAOYSA-N 2 2 392.547 3.842 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C)[nH+]c(C5CC5)n4)CC3)C2)cc1 ZINC001164939089 721931890 /nfs/dbraw/zinc/93/18/90/721931890.db2.gz IZLGRWRHNFQEEO-UHFFFAOYSA-N 2 2 392.547 3.842 20 0 GHADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655701485 837692049 /nfs/dbraw/zinc/69/20/49/837692049.db2.gz XEEDOGHIWZEAMY-VWNXMTODSA-N 2 2 398.522 3.961 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)OC[C@@H]1CC[NH+](C)[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000780378216 834503402 /nfs/dbraw/zinc/50/34/02/834503402.db2.gz LTIIFORQBXNLGH-PMVMPFDFSA-N 2 2 396.531 3.924 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)OC[C@@H]1CC[NH+](C)[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000780378216 834503408 /nfs/dbraw/zinc/50/34/08/834503408.db2.gz LTIIFORQBXNLGH-PMVMPFDFSA-N 2 2 396.531 3.924 20 0 GHADLP CC[NH+](C)[C@H](C(=O)OC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000780378216 834503411 /nfs/dbraw/zinc/50/34/11/834503411.db2.gz LTIIFORQBXNLGH-PMVMPFDFSA-N 2 2 396.531 3.924 20 0 GHADLP CC[NH+](C)[C@H](C(=O)OC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000780378216 834503416 /nfs/dbraw/zinc/50/34/16/834503416.db2.gz LTIIFORQBXNLGH-PMVMPFDFSA-N 2 2 396.531 3.924 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(C(F)F)nc1 ZINC000657857286 834551297 /nfs/dbraw/zinc/55/12/97/834551297.db2.gz ZGUDHARWTHDKBT-MRXNPFEDSA-N 2 2 391.462 3.581 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OCc1ccncc1 ZINC000093865778 834707046 /nfs/dbraw/zinc/70/70/46/834707046.db2.gz LKCVOMQKZHMDAX-OAQYLSRUSA-N 2 2 391.471 3.718 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OCc1ccncc1 ZINC000093865778 834707053 /nfs/dbraw/zinc/70/70/53/834707053.db2.gz LKCVOMQKZHMDAX-OAQYLSRUSA-N 2 2 391.471 3.718 20 0 GHADLP COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668739648 834880507 /nfs/dbraw/zinc/88/05/07/834880507.db2.gz OBJNAQSMTYBLAK-QFIPXVFZSA-N 2 2 380.532 3.702 20 0 GHADLP COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668739648 834880521 /nfs/dbraw/zinc/88/05/21/834880521.db2.gz OBJNAQSMTYBLAK-QFIPXVFZSA-N 2 2 380.532 3.702 20 0 GHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000728595292 835006497 /nfs/dbraw/zinc/00/64/97/835006497.db2.gz XWGDVFLKHRGVIK-GOSISDBHSA-N 2 2 384.505 3.940 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658053992 835396818 /nfs/dbraw/zinc/39/68/18/835396818.db2.gz CLHXFUCRQWBXRT-XJKSGUPXSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658053992 835396828 /nfs/dbraw/zinc/39/68/28/835396828.db2.gz CLHXFUCRQWBXRT-XJKSGUPXSA-N 2 2 382.346 3.629 20 0 GHADLP Cc1ccccc1-c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000512977158 844051344 /nfs/dbraw/zinc/05/13/44/844051344.db2.gz HGYFETUVGYINHJ-NOTZXAQLSA-N 2 2 391.559 3.835 20 0 GHADLP Cc1ccccc1-c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC000512977158 844051351 /nfs/dbraw/zinc/05/13/51/844051351.db2.gz HGYFETUVGYINHJ-NOTZXAQLSA-N 2 2 391.559 3.835 20 0 GHADLP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295633 835560645 /nfs/dbraw/zinc/56/06/45/835560645.db2.gz OCRLVXMHHVQIJM-HKUYNNGSSA-N 2 2 381.358 3.613 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cnccc1NC(=O)OC(C)(C)C ZINC000796674052 835566852 /nfs/dbraw/zinc/56/68/52/835566852.db2.gz FIHMJEXSPJSGHA-SJORKVTESA-N 2 2 376.545 3.766 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cnccc1NC(=O)OC(C)(C)C ZINC000796674052 835566863 /nfs/dbraw/zinc/56/68/63/835566863.db2.gz FIHMJEXSPJSGHA-SJORKVTESA-N 2 2 376.545 3.766 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000047271758 835678163 /nfs/dbraw/zinc/67/81/63/835678163.db2.gz AMZWQPFWVRIRFX-JOCHJYFZSA-N 2 2 376.504 3.744 20 0 GHADLP Cc1ccc2c(c1)nc(C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)n2C ZINC000628240267 835698993 /nfs/dbraw/zinc/69/89/93/835698993.db2.gz XEVZFIGFVCAESR-UHFFFAOYSA-N 2 2 397.954 3.577 20 0 GHADLP Cc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000584226048 835780291 /nfs/dbraw/zinc/78/02/91/835780291.db2.gz COEAQSJLHNAYSL-SRDOODBNSA-N 2 2 398.572 3.669 20 0 GHADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065872308 836083606 /nfs/dbraw/zinc/08/36/06/836083606.db2.gz BXNGGQPVRRVEIJ-SFHVURJKSA-N 2 2 393.466 3.566 20 0 GHADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065872308 836083616 /nfs/dbraw/zinc/08/36/16/836083616.db2.gz BXNGGQPVRRVEIJ-SFHVURJKSA-N 2 2 393.466 3.566 20 0 GHADLP C[C@@H](C[NH2+][C@H](c1ccccc1Cl)c1cc(F)ccc1F)N1CC[NH+](C)CC1 ZINC000180463761 836175626 /nfs/dbraw/zinc/17/56/26/836175626.db2.gz QBYDOJSYZDSPJY-YCRPNKLZSA-N 2 2 393.909 3.933 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000116384292 836230907 /nfs/dbraw/zinc/23/09/07/836230907.db2.gz QXDZYGVPAOCZQV-AVRDEDQJSA-N 2 2 382.527 3.821 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000116384292 836230930 /nfs/dbraw/zinc/23/09/30/836230930.db2.gz QXDZYGVPAOCZQV-AVRDEDQJSA-N 2 2 382.527 3.821 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)[C@@H](C)C1 ZINC000471242982 836289184 /nfs/dbraw/zinc/28/91/84/836289184.db2.gz LFBZNJIDFGYSGI-JWNTYJGQSA-N 2 2 389.559 3.835 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)[C@@H](C)C1 ZINC000471242982 836289194 /nfs/dbraw/zinc/28/91/94/836289194.db2.gz LFBZNJIDFGYSGI-JWNTYJGQSA-N 2 2 389.559 3.835 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)[C@@H](C)C1 ZINC000471242982 836289204 /nfs/dbraw/zinc/28/92/04/836289204.db2.gz LFBZNJIDFGYSGI-JWNTYJGQSA-N 2 2 389.559 3.835 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)[C@@H](C)C1 ZINC000471242982 836289214 /nfs/dbraw/zinc/28/92/14/836289214.db2.gz LFBZNJIDFGYSGI-JWNTYJGQSA-N 2 2 389.559 3.835 20 0 GHADLP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1csc(-c2ccccc2)n1 ZINC000414160958 836354366 /nfs/dbraw/zinc/35/43/66/836354366.db2.gz JSIBIMXSPGCZGW-INIZCTEOSA-N 2 2 382.533 3.996 20 0 GHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ncc(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000153148429 836402173 /nfs/dbraw/zinc/40/21/73/836402173.db2.gz UGRKUJJBVUMTTB-QFBILLFUSA-N 2 2 388.943 3.768 20 0 GHADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ncc(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000153148429 836402180 /nfs/dbraw/zinc/40/21/80/836402180.db2.gz UGRKUJJBVUMTTB-QFBILLFUSA-N 2 2 388.943 3.768 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248867300 836663637 /nfs/dbraw/zinc/66/36/37/836663637.db2.gz IDICROURXRWAFH-RTBURBONSA-N 2 2 375.875 3.503 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248867300 836663641 /nfs/dbraw/zinc/66/36/41/836663641.db2.gz IDICROURXRWAFH-RTBURBONSA-N 2 2 375.875 3.503 20 0 GHADLP C[C@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000109783789 836684943 /nfs/dbraw/zinc/68/49/43/836684943.db2.gz WQBUGPCQVSONPC-QGZVFWFLSA-N 2 2 399.560 3.573 20 0 GHADLP C[C@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000109783789 836684951 /nfs/dbraw/zinc/68/49/51/836684951.db2.gz WQBUGPCQVSONPC-QGZVFWFLSA-N 2 2 399.560 3.573 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCCN[C@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1 ZINC000511379682 836786553 /nfs/dbraw/zinc/78/65/53/836786553.db2.gz PPSBEUKWWFSRFS-DUXKGJEZSA-N 2 2 379.976 3.566 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCCN[C@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1 ZINC000511379682 836786564 /nfs/dbraw/zinc/78/65/64/836786564.db2.gz PPSBEUKWWFSRFS-DUXKGJEZSA-N 2 2 379.976 3.566 20 0 GHADLP C[C@@H]1CCCC[NH+]1CCCN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000511379682 836786571 /nfs/dbraw/zinc/78/65/71/836786571.db2.gz PPSBEUKWWFSRFS-DUXKGJEZSA-N 2 2 379.976 3.566 20 0 GHADLP C[C@@H]1CCCC[NH+]1CCCN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000511379682 836786580 /nfs/dbraw/zinc/78/65/80/836786580.db2.gz PPSBEUKWWFSRFS-DUXKGJEZSA-N 2 2 379.976 3.566 20 0 GHADLP CN(C(=O)N[C@H]1CCC(C)(C)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000511393712 836939214 /nfs/dbraw/zinc/93/92/14/836939214.db2.gz HWUFKEACBZSPAS-SXLOBPIMSA-N 2 2 378.605 3.544 20 0 GHADLP CN(C(=O)N[C@H]1CCC(C)(C)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000511393712 836939217 /nfs/dbraw/zinc/93/92/17/836939217.db2.gz HWUFKEACBZSPAS-SXLOBPIMSA-N 2 2 378.605 3.544 20 0 GHADLP CN(C(=O)c1ccc(C2CC2)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612960987 837022493 /nfs/dbraw/zinc/02/24/93/837022493.db2.gz VQWAOSWTLLCJHK-DHIUTWEWSA-N 2 2 383.580 3.973 20 0 GHADLP CN(C(=O)c1ccc(C2CC2)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612960987 837022505 /nfs/dbraw/zinc/02/25/05/837022505.db2.gz VQWAOSWTLLCJHK-DHIUTWEWSA-N 2 2 383.580 3.973 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000414315667 837070627 /nfs/dbraw/zinc/07/06/27/837070627.db2.gz MYDREMWTVQCNSG-AGHHOFFYSA-N 2 2 381.495 3.574 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000414315667 837070638 /nfs/dbraw/zinc/07/06/38/837070638.db2.gz MYDREMWTVQCNSG-AGHHOFFYSA-N 2 2 381.495 3.574 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000414315669 837070906 /nfs/dbraw/zinc/07/09/06/837070906.db2.gz MYDREMWTVQCNSG-PIPMEXSNSA-N 2 2 381.495 3.574 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000414315669 837070911 /nfs/dbraw/zinc/07/09/11/837070911.db2.gz MYDREMWTVQCNSG-PIPMEXSNSA-N 2 2 381.495 3.574 20 0 GHADLP C[NH+](C)CCN(CC1CCCCC1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000156162157 837152946 /nfs/dbraw/zinc/15/29/46/837152946.db2.gz RBRLIIOFEZYVJQ-UHFFFAOYSA-N 2 2 397.567 3.585 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CC[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000237624873 837287898 /nfs/dbraw/zinc/28/78/98/837287898.db2.gz VCDJNXOYCSSOAS-UEXGIBASSA-N 2 2 381.520 3.715 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CC[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000237624873 837287908 /nfs/dbraw/zinc/28/79/08/837287908.db2.gz VCDJNXOYCSSOAS-UEXGIBASSA-N 2 2 381.520 3.715 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000549074485 837382591 /nfs/dbraw/zinc/38/25/91/837382591.db2.gz XDYGWPDFZFEWGJ-UHFFFAOYSA-N 2 2 384.487 3.926 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000549074485 837382602 /nfs/dbraw/zinc/38/26/02/837382602.db2.gz XDYGWPDFZFEWGJ-UHFFFAOYSA-N 2 2 384.487 3.926 20 0 GHADLP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CS2 ZINC000655761962 837837832 /nfs/dbraw/zinc/83/78/32/837837832.db2.gz RXEIFTQQNSJDET-WBVHZDCISA-N 2 2 397.382 3.829 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1csc(-c3ccc4c(c3)OCO4)n1)CCC2 ZINC000377837533 838039093 /nfs/dbraw/zinc/03/90/93/838039093.db2.gz NXAOEHAKIVSEKG-OAHLLOKOSA-N 2 2 382.489 3.711 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849348 838048023 /nfs/dbraw/zinc/04/80/23/838048023.db2.gz OALGZMIHZJYHNK-AHRSYUTCSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849348 838048038 /nfs/dbraw/zinc/04/80/38/838048038.db2.gz OALGZMIHZJYHNK-AHRSYUTCSA-N 2 2 377.960 3.684 20 0 GHADLP Cc1ccc(NC(=O)CC[NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)nc1 ZINC000683659183 838218464 /nfs/dbraw/zinc/21/84/64/838218464.db2.gz MQSLJTBQWBRFHC-OAQYLSRUSA-N 2 2 380.536 3.781 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000659316527 838282949 /nfs/dbraw/zinc/28/29/49/838282949.db2.gz DATUQUNEYAZSQK-VQIMIIECSA-N 2 2 383.561 3.646 20 0 GHADLP C[NH2+]Cc1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000415943352 838295351 /nfs/dbraw/zinc/29/53/51/838295351.db2.gz LMQQDISFQYPQKC-RTWAWAEBSA-N 2 2 375.476 3.653 20 0 GHADLP C[NH2+]Cc1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000415943354 838295595 /nfs/dbraw/zinc/29/55/95/838295595.db2.gz LMQQDISFQYPQKC-SFTDATJTSA-N 2 2 375.476 3.653 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C2CC2)cc1 ZINC000419361199 844311533 /nfs/dbraw/zinc/31/15/33/844311533.db2.gz SZIDAEQVUUOOII-SFHVURJKSA-N 2 2 393.531 3.686 20 0 GHADLP CC(C)Oc1ccc([C@H](CNC2CC[NH+](Cc3ccncc3)CC2)[NH+](C)C)cc1 ZINC000376825970 838774062 /nfs/dbraw/zinc/77/40/62/838774062.db2.gz MFPNYGQFWDUPIG-DEOSSOPVSA-N 2 2 396.579 3.726 20 0 GHADLP O=C1[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCN1Cc1ccccc1 ZINC000580073540 838808981 /nfs/dbraw/zinc/80/89/81/838808981.db2.gz NKVVDNIEFUQIRB-GOTSBHOMSA-N 2 2 389.543 3.574 20 0 GHADLP O=C1[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCN1Cc1ccccc1 ZINC000580073540 838808993 /nfs/dbraw/zinc/80/89/93/838808993.db2.gz NKVVDNIEFUQIRB-GOTSBHOMSA-N 2 2 389.543 3.574 20 0 GHADLP COc1cccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549166189 839133724 /nfs/dbraw/zinc/13/37/24/839133724.db2.gz RDRATLBUUSIEAE-NRFANRHFSA-N 2 2 381.520 3.524 20 0 GHADLP COc1cccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549166189 839133732 /nfs/dbraw/zinc/13/37/32/839133732.db2.gz RDRATLBUUSIEAE-NRFANRHFSA-N 2 2 381.520 3.524 20 0 GHADLP CCN(CCOC)c1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC001167426762 839930299 /nfs/dbraw/zinc/93/02/99/839930299.db2.gz YPGRYVZFJUNWIZ-RTWAWAEBSA-N 2 2 388.600 3.641 20 0 GHADLP CCN(CCOC)c1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC001167426762 839930303 /nfs/dbraw/zinc/93/03/03/839930303.db2.gz YPGRYVZFJUNWIZ-RTWAWAEBSA-N 2 2 388.600 3.641 20 0 GHADLP CCN(CCOC)c1cccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC001167426762 839930314 /nfs/dbraw/zinc/93/03/14/839930314.db2.gz YPGRYVZFJUNWIZ-RTWAWAEBSA-N 2 2 388.600 3.641 20 0 GHADLP CCN(CCOC)c1cccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1 ZINC001167426762 839930320 /nfs/dbraw/zinc/93/03/20/839930320.db2.gz YPGRYVZFJUNWIZ-RTWAWAEBSA-N 2 2 388.600 3.641 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@H](O)COc1ccc(-c3ccccc3)cc1)CCC2 ZINC000580642430 839949156 /nfs/dbraw/zinc/94/91/56/839949156.db2.gz WBKOUIRJOVFJMG-VXKWHMMOSA-N 2 2 391.515 3.765 20 0 GHADLP CC[N@H+](CCO[C@@H]1CC1(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000660079553 840100281 /nfs/dbraw/zinc/10/02/81/840100281.db2.gz KUOSZKLTTMLJFU-QGZVFWFLSA-N 2 2 382.499 3.623 20 0 GHADLP CC[N@@H+](CCO[C@@H]1CC1(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000660079553 840100285 /nfs/dbraw/zinc/10/02/85/840100285.db2.gz KUOSZKLTTMLJFU-QGZVFWFLSA-N 2 2 382.499 3.623 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000511741908 840601715 /nfs/dbraw/zinc/60/17/15/840601715.db2.gz XQGFTPFSRZFRFJ-SFHVURJKSA-N 2 2 375.520 3.797 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000511751168 840636900 /nfs/dbraw/zinc/63/69/00/840636900.db2.gz GHJJBGDTEBOYTR-JOCHJYFZSA-N 2 2 388.515 3.903 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000511751168 840636902 /nfs/dbraw/zinc/63/69/02/840636902.db2.gz GHJJBGDTEBOYTR-JOCHJYFZSA-N 2 2 388.515 3.903 20 0 GHADLP C[N@H+](Cc1ccccc1CNC(=O)NCCCCn1cc[nH+]c1)C1CCCCC1 ZINC000052559853 844585489 /nfs/dbraw/zinc/58/54/89/844585489.db2.gz LVPJLAWIHPNRAK-UHFFFAOYSA-N 2 2 397.567 3.927 20 0 GHADLP C[N@@H+](Cc1ccccc1CNC(=O)NCCCCn1cc[nH+]c1)C1CCCCC1 ZINC000052559853 844585494 /nfs/dbraw/zinc/58/54/94/844585494.db2.gz LVPJLAWIHPNRAK-UHFFFAOYSA-N 2 2 397.567 3.927 20 0 GHADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1 ZINC000177568454 861197342 /nfs/dbraw/zinc/19/73/42/861197342.db2.gz CSVNUMNDBQNAQN-KRWDZBQOSA-N 2 2 381.524 3.936 20 0 GHADLP c1c(C[NH2+]CCCNc2cccc[nH+]2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000177590599 861198766 /nfs/dbraw/zinc/19/87/66/861198766.db2.gz HMAVTRACXGLJMT-UHFFFAOYSA-N 2 2 398.514 3.980 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000500103221 841445823 /nfs/dbraw/zinc/44/58/23/841445823.db2.gz BIZUBABQENJRMU-AUSIDOKSSA-N 2 2 388.515 3.572 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000500103221 841445834 /nfs/dbraw/zinc/44/58/34/841445834.db2.gz BIZUBABQENJRMU-AUSIDOKSSA-N 2 2 388.515 3.572 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCc2noc3ccccc32)[C@@H]1c1cnn(C)c1 ZINC000661526536 841842882 /nfs/dbraw/zinc/84/28/82/841842882.db2.gz HUFGOKRNEVTTBQ-HTAPYJJXSA-N 2 2 381.524 3.509 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCc2noc3ccccc32)[C@@H]1c1cnn(C)c1 ZINC000661526536 841842896 /nfs/dbraw/zinc/84/28/96/841842896.db2.gz HUFGOKRNEVTTBQ-HTAPYJJXSA-N 2 2 381.524 3.509 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCc2noc3ccccc32)[C@@H]1c1cnn(C)c1 ZINC000661526536 841842906 /nfs/dbraw/zinc/84/29/06/841842906.db2.gz HUFGOKRNEVTTBQ-HTAPYJJXSA-N 2 2 381.524 3.509 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCc2noc3ccccc32)[C@@H]1c1cnn(C)c1 ZINC000661526536 841842919 /nfs/dbraw/zinc/84/29/19/841842919.db2.gz HUFGOKRNEVTTBQ-HTAPYJJXSA-N 2 2 381.524 3.509 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cccc(F)c3OC(F)F)[nH+]c2)C1 ZINC000656770838 841909129 /nfs/dbraw/zinc/90/91/29/841909129.db2.gz SZJLBLMMYHVXPY-OAHLLOKOSA-N 2 2 380.414 3.575 20 0 GHADLP c1cc(C[NH+]2CCOCC2)cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000643249755 842060981 /nfs/dbraw/zinc/06/09/81/842060981.db2.gz SBTDSSXXOOJEMS-UHFFFAOYSA-N 3 2 385.596 3.607 20 0 GHADLP Cc1[nH+]c(N)ccc1CNc1[nH+]cnc2c1ccn2COCC[Si](C)(C)C ZINC001167782167 842079038 /nfs/dbraw/zinc/07/90/38/842079038.db2.gz RDTDQKXETSZPMO-UHFFFAOYSA-N 2 2 384.560 3.641 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177923560 861284421 /nfs/dbraw/zinc/28/44/21/861284421.db2.gz NIKZLXRNBGWJNF-SFHVURJKSA-N 2 2 391.519 3.566 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177923560 861284432 /nfs/dbraw/zinc/28/44/32/861284432.db2.gz NIKZLXRNBGWJNF-SFHVURJKSA-N 2 2 391.519 3.566 20 0 GHADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432254120 842398998 /nfs/dbraw/zinc/39/89/98/842398998.db2.gz RDRNBTBSNVXSTG-HZPDHXFCSA-N 2 2 375.315 3.990 20 0 GHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[NH+](C)C ZINC000510556344 842958265 /nfs/dbraw/zinc/95/82/65/842958265.db2.gz XPUZDWPXZMDWCM-WWMYMODYSA-N 2 2 382.552 3.754 20 0 GHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[NH+](C)C ZINC000510556344 842958273 /nfs/dbraw/zinc/95/82/73/842958273.db2.gz XPUZDWPXZMDWCM-WWMYMODYSA-N 2 2 382.552 3.754 20 0 GHADLP CC(=O)N(c1nc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cs1)c1ccc(C)cc1 ZINC000430914805 843182861 /nfs/dbraw/zinc/18/28/61/843182861.db2.gz AFZZYDOAZSSGBH-UHFFFAOYSA-N 2 2 384.549 3.712 20 0 GHADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247329276 843414488 /nfs/dbraw/zinc/41/44/88/843414488.db2.gz GJCIYCRFSACFSY-JKIFEVAISA-N 2 2 391.313 3.556 20 0 GHADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247329276 843414489 /nfs/dbraw/zinc/41/44/89/843414489.db2.gz GJCIYCRFSACFSY-JKIFEVAISA-N 2 2 391.313 3.556 20 0 GHADLP Clc1ccc([C@@H]2OCC[C@H]2[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000510796053 843511660 /nfs/dbraw/zinc/51/16/60/843511660.db2.gz IYCZDFMGXPWFDP-PKTZIBPZSA-N 2 2 399.966 3.972 20 0 GHADLP [NH3+]CCC[C@@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000418679623 843535410 /nfs/dbraw/zinc/53/54/10/843535410.db2.gz UDEZAVKKRWXFCD-PZJWPPBQSA-N 2 2 395.551 3.589 20 0 GHADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278889991 843553344 /nfs/dbraw/zinc/55/33/44/843553344.db2.gz OCFOGUDDHPQISV-MRXNPFEDSA-N 2 2 384.499 3.874 20 0 GHADLP CCN(C(C)=O)c1nc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cs1 ZINC000178914977 861435884 /nfs/dbraw/zinc/43/58/84/861435884.db2.gz NFRNHKPQMUTCOK-UHFFFAOYSA-N 2 2 378.586 3.604 20 0 GHADLP O=C(Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000899671941 861482491 /nfs/dbraw/zinc/48/24/91/861482491.db2.gz JOFMDIQSBPZJNF-AWEZNQCLSA-N 2 2 392.425 3.699 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000535822936 844699586 /nfs/dbraw/zinc/69/95/86/844699586.db2.gz GQZXWWANWRLDKO-PXNSSMCTSA-N 2 2 378.451 3.729 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000535822936 844699589 /nfs/dbraw/zinc/69/95/89/844699589.db2.gz GQZXWWANWRLDKO-PXNSSMCTSA-N 2 2 378.451 3.729 20 0 GHADLP CCc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535853800 844795168 /nfs/dbraw/zinc/79/51/68/844795168.db2.gz FKCCVWATEQKOEH-XZOQPEGZSA-N 2 2 385.596 3.587 20 0 GHADLP CCc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535853800 844795234 /nfs/dbraw/zinc/79/52/34/844795234.db2.gz FKCCVWATEQKOEH-XZOQPEGZSA-N 2 2 385.596 3.587 20 0 GHADLP CN(C(=O)c1cc(F)cc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849302 844810578 /nfs/dbraw/zinc/81/05/78/844810578.db2.gz XBKGGBICOPZMEQ-VQTJNVASSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1cc(F)cc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849302 844810583 /nfs/dbraw/zinc/81/05/83/844810583.db2.gz XBKGGBICOPZMEQ-VQTJNVASSA-N 2 2 395.950 3.888 20 0 GHADLP C[NH+](C)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2)CC1 ZINC000277152382 844870680 /nfs/dbraw/zinc/87/06/80/844870680.db2.gz JQUTZWGSLNEWLY-DNQXCXABSA-N 4 2 386.628 3.519 20 0 GHADLP C[NH+](C)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2)CC1 ZINC000277152382 844870686 /nfs/dbraw/zinc/87/06/86/844870686.db2.gz JQUTZWGSLNEWLY-DNQXCXABSA-N 4 2 386.628 3.519 20 0 GHADLP c1c(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]c2n1CCCC2 ZINC000512662618 844916110 /nfs/dbraw/zinc/91/61/10/844916110.db2.gz ZBJQOTPZLGOWEW-MDNUFGMLSA-N 3 2 378.564 3.652 20 0 GHADLP c1c(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]c2n1CCCC2 ZINC000512662618 844916116 /nfs/dbraw/zinc/91/61/16/844916116.db2.gz ZBJQOTPZLGOWEW-MDNUFGMLSA-N 3 2 378.564 3.652 20 0 GHADLP C[N@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC[NH+](CCO)CC1 ZINC000513567209 845678359 /nfs/dbraw/zinc/67/83/59/845678359.db2.gz DKNBSZPPZRYSKW-UHFFFAOYSA-N 2 2 384.364 3.613 20 0 GHADLP C[N@@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC[NH+](CCO)CC1 ZINC000513567209 845678365 /nfs/dbraw/zinc/67/83/65/845678365.db2.gz DKNBSZPPZRYSKW-UHFFFAOYSA-N 2 2 384.364 3.613 20 0 GHADLP O=C(NCc1ccco1)c1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157094053 845846935 /nfs/dbraw/zinc/84/69/35/845846935.db2.gz VQQZTVXDKKEBRX-NRFANRHFSA-N 2 2 381.520 3.660 20 0 GHADLP O=C(NCc1ccco1)c1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157094053 845846947 /nfs/dbraw/zinc/84/69/47/845846947.db2.gz VQQZTVXDKKEBRX-NRFANRHFSA-N 2 2 381.520 3.660 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cccc(Br)c3F)CC2)CC1 ZINC000421367091 846179195 /nfs/dbraw/zinc/17/91/95/846179195.db2.gz DNADTMBVMHOWTB-UHFFFAOYSA-N 2 2 398.364 3.580 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cccc(Br)c3F)CC2)CC1 ZINC000421367091 846179200 /nfs/dbraw/zinc/17/92/00/846179200.db2.gz DNADTMBVMHOWTB-UHFFFAOYSA-N 2 2 398.364 3.580 20 0 GHADLP CC(C)c1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(O)c(C(C)C)c1 ZINC000094134827 846318046 /nfs/dbraw/zinc/31/80/46/846318046.db2.gz UXJJFGZVFOKOLM-UHFFFAOYSA-N 2 2 389.584 3.737 20 0 GHADLP CC(C)c1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(O)c(C(C)C)c1 ZINC000094134827 846318056 /nfs/dbraw/zinc/31/80/56/846318056.db2.gz UXJJFGZVFOKOLM-UHFFFAOYSA-N 2 2 389.584 3.737 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000280434360 846405807 /nfs/dbraw/zinc/40/58/07/846405807.db2.gz XRBPNTJPBUNKGF-KRWDZBQOSA-N 2 2 379.483 3.722 20 0 GHADLP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000502862509 846568557 /nfs/dbraw/zinc/56/85/57/846568557.db2.gz NSUQVCFQOHUBIR-UBQCRTFRSA-N 2 2 398.595 3.539 20 0 GHADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000502862509 846568558 /nfs/dbraw/zinc/56/85/58/846568558.db2.gz NSUQVCFQOHUBIR-UBQCRTFRSA-N 2 2 398.595 3.539 20 0 GHADLP C[NH+](C)CCCOc1ccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000161180226 846603953 /nfs/dbraw/zinc/60/39/53/846603953.db2.gz LQRYRBGEFNRPLY-UHFFFAOYSA-N 2 2 382.512 3.524 20 0 GHADLP CC[C@@H](CC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccc(C)cc1 ZINC000422028186 846758726 /nfs/dbraw/zinc/75/87/26/846758726.db2.gz XKQBGTMKUFRLAA-NRFANRHFSA-N 2 2 385.596 3.897 20 0 GHADLP CC[C@@H](CC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccc(C)cc1 ZINC000422028186 846758732 /nfs/dbraw/zinc/75/87/32/846758732.db2.gz XKQBGTMKUFRLAA-NRFANRHFSA-N 2 2 385.596 3.897 20 0 GHADLP CN(C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001268967016 847096922 /nfs/dbraw/zinc/09/69/22/847096922.db2.gz GGUXTCVBMCETRQ-NJKFVAIMSA-N 2 2 375.601 3.608 20 0 GHADLP CN(C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001268967016 847096929 /nfs/dbraw/zinc/09/69/29/847096929.db2.gz GGUXTCVBMCETRQ-NJKFVAIMSA-N 2 2 375.601 3.608 20 0 GHADLP Cc1cc(C)n(-c2ccccc2C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC000272513014 847096949 /nfs/dbraw/zinc/09/69/49/847096949.db2.gz GQEJDJVNGKGAIB-UHFFFAOYSA-N 2 2 380.458 3.996 20 0 GHADLP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1c(Cl)cccc1C(F)(F)F ZINC000420343836 847121468 /nfs/dbraw/zinc/12/14/68/847121468.db2.gz RNZCLWVNDLEVNH-OAHLLOKOSA-N 2 2 389.849 3.761 20 0 GHADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F)C1CCCCC1 ZINC000420356189 847136107 /nfs/dbraw/zinc/13/61/07/847136107.db2.gz GANZFYBPRLTXEO-AWEZNQCLSA-N 2 2 377.838 3.795 20 0 GHADLP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc2n1CCCCC2 ZINC000272677594 847143360 /nfs/dbraw/zinc/14/33/60/847143360.db2.gz RJAMNYOWSNJZST-TYPHKJRUSA-N 2 2 381.568 3.956 20 0 GHADLP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc2n1CCCCC2 ZINC000272677594 847143364 /nfs/dbraw/zinc/14/33/64/847143364.db2.gz RJAMNYOWSNJZST-TYPHKJRUSA-N 2 2 381.568 3.956 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N1c2ccccc2CCc2ccccc21 ZINC000420412411 847174831 /nfs/dbraw/zinc/17/48/31/847174831.db2.gz ZBLCSPYAPGXLLV-FCHUYYIVSA-N 2 2 389.543 3.914 20 0 GHADLP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N1c2ccccc2CCc2ccccc21 ZINC000420412411 847174837 /nfs/dbraw/zinc/17/48/37/847174837.db2.gz ZBLCSPYAPGXLLV-FCHUYYIVSA-N 2 2 389.543 3.914 20 0 GHADLP Cn1c2cc(F)ccc2[nH+]c1NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000431413168 847251114 /nfs/dbraw/zinc/25/11/14/847251114.db2.gz HPFZQPNANKSQAE-UHFFFAOYSA-N 2 2 378.451 3.971 20 0 GHADLP Cn1c2cc(F)ccc2[nH+]c1NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000431413168 847251124 /nfs/dbraw/zinc/25/11/24/847251124.db2.gz HPFZQPNANKSQAE-UHFFFAOYSA-N 2 2 378.451 3.971 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)CC3CCCCC3)CC2)CC1 ZINC000422204634 847456140 /nfs/dbraw/zinc/45/61/40/847456140.db2.gz MMENQLIFUCBGQZ-IBGZPJMESA-N 2 2 378.605 3.547 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)CC3CCCCC3)CC2)CC1 ZINC000422204634 847456145 /nfs/dbraw/zinc/45/61/45/847456145.db2.gz MMENQLIFUCBGQZ-IBGZPJMESA-N 2 2 378.605 3.547 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000657461605 847579161 /nfs/dbraw/zinc/57/91/61/847579161.db2.gz IOSNGJJGUUARRD-QGZVFWFLSA-N 2 2 380.458 3.829 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000657461605 847579168 /nfs/dbraw/zinc/57/91/68/847579168.db2.gz IOSNGJJGUUARRD-QGZVFWFLSA-N 2 2 380.458 3.829 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000421036630 847638097 /nfs/dbraw/zinc/63/80/97/847638097.db2.gz NWRGWUTVBRYKMS-UHFFFAOYSA-N 2 2 398.473 3.729 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000421036630 847638102 /nfs/dbraw/zinc/63/81/02/847638102.db2.gz NWRGWUTVBRYKMS-UHFFFAOYSA-N 2 2 398.473 3.729 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cc(Cl)ccc3F)CC2)CC1 ZINC000421043074 847657900 /nfs/dbraw/zinc/65/79/00/847657900.db2.gz PSZQLQQPNMPEPR-UHFFFAOYSA-N 2 2 382.911 3.503 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cc(Cl)ccc3F)CC2)CC1 ZINC000421043074 847657906 /nfs/dbraw/zinc/65/79/06/847657906.db2.gz PSZQLQQPNMPEPR-UHFFFAOYSA-N 2 2 382.911 3.503 20 0 GHADLP COc1cc(C)c(C[C@H](C)[NH2+]CC2([NH+](C)C)Cc3ccccc3C2)cc1OC ZINC000502278979 847685481 /nfs/dbraw/zinc/68/54/81/847685481.db2.gz UYCZWYCWBZOBET-SFHVURJKSA-N 2 2 382.548 3.632 20 0 GHADLP O=C1[C@H]([N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCN1c1cccc(F)c1 ZINC000503441942 847707726 /nfs/dbraw/zinc/70/77/26/847707726.db2.gz PGORQKCDMUTVRY-LAUBAEHRSA-N 2 2 396.510 3.734 20 0 GHADLP O=C1[C@H]([N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCN1c1cccc(F)c1 ZINC000503441942 847707729 /nfs/dbraw/zinc/70/77/29/847707729.db2.gz PGORQKCDMUTVRY-LAUBAEHRSA-N 2 2 396.510 3.734 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414498669 847713369 /nfs/dbraw/zinc/71/33/69/847713369.db2.gz INHMBUAARUHQOY-FXAWDEMLSA-N 2 2 378.944 3.983 20 0 GHADLP Cc1[nH+]ccn1CCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000502321779 847733703 /nfs/dbraw/zinc/73/37/03/847733703.db2.gz RXKZIFJBQPGZRW-CYBMUJFWSA-N 2 2 390.944 3.841 20 0 GHADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422698035 847771379 /nfs/dbraw/zinc/77/13/79/847771379.db2.gz XHSQYUKJRFHOCR-MJGOQNOKSA-N 2 2 385.508 3.519 20 0 GHADLP Brc1ccc2nc(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)cn2c1 ZINC000422731633 847787097 /nfs/dbraw/zinc/78/70/97/847787097.db2.gz MBWHSODDPMLYAS-FUHWJXTLSA-N 2 2 385.309 3.680 20 0 GHADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422733406 847788504 /nfs/dbraw/zinc/78/85/04/847788504.db2.gz QXYUMTUJSZMFAT-DQLDELGASA-N 2 2 391.481 3.828 20 0 GHADLP C[N@@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764233 847823615 /nfs/dbraw/zinc/82/36/15/847823615.db2.gz PPQWPIOXVBWYRS-UWPGDLITSA-N 3 2 381.486 3.961 20 0 GHADLP C[N@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764233 847823621 /nfs/dbraw/zinc/82/36/21/847823621.db2.gz PPQWPIOXVBWYRS-UWPGDLITSA-N 3 2 381.486 3.961 20 0 GHADLP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc(Br)c1OC ZINC000422947178 847909447 /nfs/dbraw/zinc/90/94/47/847909447.db2.gz PYMMXHFCTQMWMQ-HOTGVXAUSA-N 2 2 377.282 3.701 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)[C@H]2CCC[NH2+]2)cc1 ZINC000423070897 847962794 /nfs/dbraw/zinc/96/27/94/847962794.db2.gz GVWYEMPLQDBPPO-QODFHFCMSA-N 2 2 382.548 3.708 20 0 GHADLP c1csc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000582724997 848146380 /nfs/dbraw/zinc/14/63/80/848146380.db2.gz BTESDYYQNGDGFA-OALUTQOASA-N 2 2 378.545 3.701 20 0 GHADLP c1csc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000582724997 848146386 /nfs/dbraw/zinc/14/63/86/848146386.db2.gz BTESDYYQNGDGFA-OALUTQOASA-N 2 2 378.545 3.701 20 0 GHADLP c1ccc([C@@H]2C[N@H+](CCCC[NH+]3CCO[C@@H](c4ccccc4)C3)CCO2)cc1 ZINC000077250326 848234942 /nfs/dbraw/zinc/23/49/42/848234942.db2.gz DQSMADISSSACCI-PSWAGMNNSA-N 2 2 380.532 3.914 20 0 GHADLP c1ccc([C@@H]2C[N@@H+](CCCC[NH+]3CCO[C@@H](c4ccccc4)C3)CCO2)cc1 ZINC000077250326 848234952 /nfs/dbraw/zinc/23/49/52/848234952.db2.gz DQSMADISSSACCI-PSWAGMNNSA-N 2 2 380.532 3.914 20 0 GHADLP c1ccc([C@@H]2C[NH+](CCCC[N@@H+]3CCO[C@@H](c4ccccc4)C3)CCO2)cc1 ZINC000077250326 848234960 /nfs/dbraw/zinc/23/49/60/848234960.db2.gz DQSMADISSSACCI-PSWAGMNNSA-N 2 2 380.532 3.914 20 0 GHADLP c1ccc([C@@H]2C[NH+](CCCC[N@H+]3CCO[C@@H](c4ccccc4)C3)CCO2)cc1 ZINC000077250326 848234971 /nfs/dbraw/zinc/23/49/71/848234971.db2.gz DQSMADISSSACCI-PSWAGMNNSA-N 2 2 380.532 3.914 20 0 GHADLP CCc1cc2oc(=O)cc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)c2cc1Cl ZINC000161400270 848312592 /nfs/dbraw/zinc/31/25/92/848312592.db2.gz ROQBOFVGLIJQMG-UHFFFAOYSA-N 2 2 383.879 3.726 20 0 GHADLP CC1(C)C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000657613486 848326780 /nfs/dbraw/zinc/32/67/80/848326780.db2.gz LHAVMTDZPULLFG-DEOSSOPVSA-N 3 2 392.591 3.936 20 0 GHADLP CC1(C)C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000657613486 848326788 /nfs/dbraw/zinc/32/67/88/848326788.db2.gz LHAVMTDZPULLFG-DEOSSOPVSA-N 3 2 392.591 3.936 20 0 GHADLP COCCc1ccc(OC[C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000667912448 861899784 /nfs/dbraw/zinc/89/97/84/861899784.db2.gz ILTAYTZWGLXSIV-UXHICEINSA-N 2 2 397.563 3.853 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3nc4ccccc4n3C)cc2)CC1 ZINC000180022674 861909774 /nfs/dbraw/zinc/90/97/74/861909774.db2.gz TTYOURUSUWJAOI-IBGZPJMESA-N 2 2 391.563 3.562 20 0 GHADLP c1ccc(C[NH+]2CCC3(CCN(c4cc(N5CCCC5)[nH+]cn4)C3)CC2)cc1 ZINC000431495954 848522020 /nfs/dbraw/zinc/52/20/20/848522020.db2.gz ROGGHPVUIOGLJY-UHFFFAOYSA-N 2 2 377.536 3.569 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1 ZINC000180050158 861924552 /nfs/dbraw/zinc/92/45/52/861924552.db2.gz HAAPVNYBGAAPEP-MRXNPFEDSA-N 2 2 377.492 3.894 20 0 GHADLP CSc1ccc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000582877088 848617423 /nfs/dbraw/zinc/61/74/23/848617423.db2.gz HWCXVQHYPFYLLF-IBGZPJMESA-N 2 2 387.618 3.862 20 0 GHADLP CSc1ccc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000582877088 848617428 /nfs/dbraw/zinc/61/74/28/848617428.db2.gz HWCXVQHYPFYLLF-IBGZPJMESA-N 2 2 387.618 3.862 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1 ZINC000180050144 861923123 /nfs/dbraw/zinc/92/31/23/861923123.db2.gz HAAPVNYBGAAPEP-INIZCTEOSA-N 2 2 377.492 3.894 20 0 GHADLP COc1ccc([C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C2CC2)cc1 ZINC000180065184 861931287 /nfs/dbraw/zinc/93/12/87/861931287.db2.gz DYIDTTHYNJZSSU-XMMPIXPASA-N 2 2 396.531 3.647 20 0 GHADLP CCN1CC[C@]2(CCC[N@@H+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)C2)C1=O ZINC001168045664 861945754 /nfs/dbraw/zinc/94/57/54/861945754.db2.gz LFJMYBQHUMEVEF-REHUZNOOSA-N 2 2 383.580 3.762 20 0 GHADLP CCN1CC[C@]2(CCC[N@H+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)C2)C1=O ZINC001168045664 861945765 /nfs/dbraw/zinc/94/57/65/861945765.db2.gz LFJMYBQHUMEVEF-REHUZNOOSA-N 2 2 383.580 3.762 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000472284439 849497093 /nfs/dbraw/zinc/49/70/93/849497093.db2.gz ADNBSTDMNXXVPM-QZTJIDSGSA-N 2 2 395.975 3.717 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000472284439 849497098 /nfs/dbraw/zinc/49/70/98/849497098.db2.gz ADNBSTDMNXXVPM-QZTJIDSGSA-N 2 2 395.975 3.717 20 0 GHADLP CC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C(=O)OC)cc1 ZINC000583312741 849608664 /nfs/dbraw/zinc/60/86/64/849608664.db2.gz LQFKKZBEKPYGNC-UXHICEINSA-N 2 2 382.508 3.572 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)cn1 ZINC000126409869 849725534 /nfs/dbraw/zinc/72/55/34/849725534.db2.gz QGTKFFRZVLOPOJ-UHFFFAOYSA-N 2 2 395.938 3.983 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)CCc1c[nH+]cn1C ZINC000561545674 849764000 /nfs/dbraw/zinc/76/40/00/849764000.db2.gz ALAZKAOTVYCTTN-HSZRJFAPSA-N 2 2 396.579 3.544 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)CCc1c[nH+]cn1C ZINC000561545674 849764004 /nfs/dbraw/zinc/76/40/04/849764004.db2.gz ALAZKAOTVYCTTN-HSZRJFAPSA-N 2 2 396.579 3.544 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423156928 849766784 /nfs/dbraw/zinc/76/67/84/849766784.db2.gz UOVPQEDQTLDDOJ-RCZVLFRGSA-N 3 2 391.559 3.887 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423156928 849766788 /nfs/dbraw/zinc/76/67/88/849766788.db2.gz UOVPQEDQTLDDOJ-RCZVLFRGSA-N 3 2 391.559 3.887 20 0 GHADLP Brc1cccc2c1OCCC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423185658 849776217 /nfs/dbraw/zinc/77/62/17/849776217.db2.gz JXLMUKWCGLDLTJ-GOSISDBHSA-N 2 2 390.325 3.827 20 0 GHADLP Brc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCCO2 ZINC000423194945 849799443 /nfs/dbraw/zinc/79/94/43/849799443.db2.gz ZRMBUTCVOKIZJF-SFHVURJKSA-N 2 2 390.325 3.827 20 0 GHADLP Brc1ccc([C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C2CC2)s1 ZINC000423229009 849818598 /nfs/dbraw/zinc/81/85/98/849818598.db2.gz GJGWKQQDPZISKJ-QGZVFWFLSA-N 2 2 393.354 3.878 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000423316773 849853623 /nfs/dbraw/zinc/85/36/23/849853623.db2.gz ALVPWBIQOJJIFC-NBHGPNQESA-N 2 2 384.520 3.817 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)cc1 ZINC000423346581 849863928 /nfs/dbraw/zinc/86/39/28/849863928.db2.gz YRVYIXZCDZLFFN-ORYQWCPZSA-N 2 2 384.520 3.817 20 0 GHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423371332 849875993 /nfs/dbraw/zinc/87/59/93/849875993.db2.gz VCSAILQJGSJYEC-RWSFTLGLSA-N 2 2 377.838 3.664 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(Br)cc1Br ZINC000423387676 849896563 /nfs/dbraw/zinc/89/65/63/849896563.db2.gz HXALYQCNBRSDIY-PKFCDNJMSA-N 2 2 376.136 3.860 20 0 GHADLP Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434979708 849967429 /nfs/dbraw/zinc/96/74/29/849967429.db2.gz WFCJXIULZJDZOA-UHFFFAOYSA-N 2 2 396.579 3.862 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423837896 850070062 /nfs/dbraw/zinc/07/00/62/850070062.db2.gz XJEWCRNKLPCMMN-SLFFLAALSA-N 2 2 387.474 3.552 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423837896 850070072 /nfs/dbraw/zinc/07/00/72/850070072.db2.gz XJEWCRNKLPCMMN-SLFFLAALSA-N 2 2 387.474 3.552 20 0 GHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000415002257 850142664 /nfs/dbraw/zinc/14/26/64/850142664.db2.gz LTUJMUVTVCMDSV-QPPBQGQZSA-N 3 2 381.539 3.773 20 0 GHADLP O=C(NCCCCC[NH+]1CCCCC1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000518938581 850362277 /nfs/dbraw/zinc/36/22/77/850362277.db2.gz USBCASCMQSWDBC-NRFANRHFSA-N 2 2 389.609 3.549 20 0 GHADLP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000424325746 850363986 /nfs/dbraw/zinc/36/39/86/850363986.db2.gz MTMHUPHDKUQIJU-SFHLNBCPSA-N 2 2 389.584 3.886 20 0 GHADLP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000424325746 850363997 /nfs/dbraw/zinc/36/39/97/850363997.db2.gz MTMHUPHDKUQIJU-SFHLNBCPSA-N 2 2 389.584 3.886 20 0 GHADLP COc1cc(C[NH+]2CCC([NH3+])CC2)ccc1OCCOc1ccccc1Cl ZINC000435396766 850463337 /nfs/dbraw/zinc/46/33/37/850463337.db2.gz YGMXPKUKTXFINH-UHFFFAOYSA-N 2 2 390.911 3.730 20 0 GHADLP COc1ccc(Oc2ccc(C[NH+]3CCC([N@@H+]4CC[C@H](O)C4)CC3)cc2)cc1 ZINC000668739880 850474597 /nfs/dbraw/zinc/47/45/97/850474597.db2.gz PHYWAEKHQUBQBF-FQEVSTJZSA-N 2 2 382.504 3.519 20 0 GHADLP COc1ccc(Oc2ccc(C[NH+]3CCC([N@H+]4CC[C@H](O)C4)CC3)cc2)cc1 ZINC000668739880 850474600 /nfs/dbraw/zinc/47/46/00/850474600.db2.gz PHYWAEKHQUBQBF-FQEVSTJZSA-N 2 2 382.504 3.519 20 0 GHADLP CC[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000647936750 850513992 /nfs/dbraw/zinc/51/39/92/850513992.db2.gz KOBZQFQOYIDTEG-JEBQAFNWSA-N 2 2 384.351 3.716 20 0 GHADLP CC[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000647936750 850513998 /nfs/dbraw/zinc/51/39/98/850513998.db2.gz KOBZQFQOYIDTEG-JEBQAFNWSA-N 2 2 384.351 3.716 20 0 GHADLP Cc1c([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)nnn1-c1ccc(C)cc1 ZINC000481729668 862142774 /nfs/dbraw/zinc/14/27/74/862142774.db2.gz QVBCKQOYDVBQLO-SFHVURJKSA-N 2 2 393.535 3.675 20 0 GHADLP O=C(C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1cc(F)cc(F)c1 ZINC000435691642 850770173 /nfs/dbraw/zinc/77/01/73/850770173.db2.gz HGKRFJRFWUAVSE-SFHVURJKSA-N 2 2 391.487 3.609 20 0 GHADLP O=C(C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1cc(F)cc(F)c1 ZINC000435691642 850770180 /nfs/dbraw/zinc/77/01/80/850770180.db2.gz HGKRFJRFWUAVSE-SFHVURJKSA-N 2 2 391.487 3.609 20 0 GHADLP C[C@@H](c1cccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1)[NH+]1CCOCC1 ZINC000522617205 862189624 /nfs/dbraw/zinc/18/96/24/862189624.db2.gz RCAHEEFLVFIUSS-FXAWDEMLSA-N 2 2 390.572 3.568 20 0 GHADLP FC1(F)CCC[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000513894109 850985992 /nfs/dbraw/zinc/98/59/92/850985992.db2.gz HDGNRCXTUXUZKA-UXHICEINSA-N 2 2 392.538 3.741 20 0 GHADLP FC1(F)CCC[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000513894109 850986003 /nfs/dbraw/zinc/98/60/03/850986003.db2.gz HDGNRCXTUXUZKA-UXHICEINSA-N 2 2 392.538 3.741 20 0 GHADLP Cc1cc(C)c(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(C)[nH+]1 ZINC000515460654 851050080 /nfs/dbraw/zinc/05/00/80/851050080.db2.gz UDCFSGDZLICSNU-UHFFFAOYSA-N 2 2 384.446 3.934 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(Oc3cnccn3)cc2)cc1 ZINC000414875836 851061638 /nfs/dbraw/zinc/06/16/38/851061638.db2.gz CKJPXZKGLPTJPF-FCHUYYIVSA-N 2 2 390.487 3.513 20 0 GHADLP Cc1cc(C)n(-c2ccc(C[N@@H+](Cc3scnc3C)C[C@@H]3CC[NH2+]C3)cc2)n1 ZINC000436050664 851149967 /nfs/dbraw/zinc/14/99/67/851149967.db2.gz OCWVULFSXVVVLC-HXUWFJFHSA-N 2 2 395.576 3.866 20 0 GHADLP Cc1cc(C)n(-c2ccc(C[N@H+](Cc3scnc3C)C[C@@H]3CC[NH2+]C3)cc2)n1 ZINC000436050664 851149972 /nfs/dbraw/zinc/14/99/72/851149972.db2.gz OCWVULFSXVVVLC-HXUWFJFHSA-N 2 2 395.576 3.866 20 0 GHADLP O=C1[C@@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCN1c1ccccc1Cl ZINC000434680140 851448034 /nfs/dbraw/zinc/44/80/34/851448034.db2.gz HLYSGWCCHQBTJZ-FQEVSTJZSA-N 2 2 398.938 3.858 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCc2ccc(F)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434739085 851604635 /nfs/dbraw/zinc/60/46/35/851604635.db2.gz QVRXIOMZXACILF-LAUBAEHRSA-N 2 2 376.495 3.646 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCc2ccc(F)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434739085 851604642 /nfs/dbraw/zinc/60/46/42/851604642.db2.gz QVRXIOMZXACILF-LAUBAEHRSA-N 2 2 376.495 3.646 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCc2ccc(F)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434739085 851604647 /nfs/dbraw/zinc/60/46/47/851604647.db2.gz QVRXIOMZXACILF-LAUBAEHRSA-N 2 2 376.495 3.646 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCc2ccc(F)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434739085 851604654 /nfs/dbraw/zinc/60/46/54/851604654.db2.gz QVRXIOMZXACILF-LAUBAEHRSA-N 2 2 376.495 3.646 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@H]1c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000570254551 851794613 /nfs/dbraw/zinc/79/46/13/851794613.db2.gz NQOPAWIMPRFENX-QHCPKHFHSA-N 2 2 393.531 3.685 20 0 GHADLP O=C(C[N@H+]1CCCC[C@H]1c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000570254551 851794627 /nfs/dbraw/zinc/79/46/27/851794627.db2.gz NQOPAWIMPRFENX-QHCPKHFHSA-N 2 2 393.531 3.685 20 0 GHADLP Brc1ccc2c(c1)OC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167975466 851797046 /nfs/dbraw/zinc/79/70/46/851797046.db2.gz PWQRVCSUXVJYHY-YCXXCVGLSA-N 2 2 377.326 3.878 20 0 GHADLP Brc1ccc2c(c1)OC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167975466 851797052 /nfs/dbraw/zinc/79/70/52/851797052.db2.gz PWQRVCSUXVJYHY-YCXXCVGLSA-N 2 2 377.326 3.878 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000517784987 852426725 /nfs/dbraw/zinc/42/67/25/852426725.db2.gz PBJBMDKVKVWTDV-JOCHJYFZSA-N 2 2 382.504 3.991 20 0 GHADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)CCCO2 ZINC000489550876 852437069 /nfs/dbraw/zinc/43/70/69/852437069.db2.gz KVHHRWDNQGNOQC-RTWAWAEBSA-N 2 2 387.568 3.556 20 0 GHADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)CCCO2 ZINC000489550876 852437074 /nfs/dbraw/zinc/43/70/74/852437074.db2.gz KVHHRWDNQGNOQC-RTWAWAEBSA-N 2 2 387.568 3.556 20 0 GHADLP CCC[C@H]1CCCC[C@H]1NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000516561607 852726722 /nfs/dbraw/zinc/72/67/22/852726722.db2.gz FWTAFHXDKGEUOE-PZJWPPBQSA-N 2 2 378.605 3.547 20 0 GHADLP CCC[C@H]1CCCC[C@H]1NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000516561607 852726727 /nfs/dbraw/zinc/72/67/27/852726727.db2.gz FWTAFHXDKGEUOE-PZJWPPBQSA-N 2 2 378.605 3.547 20 0 GHADLP Cn1cc(-c2ccc(C[NH2+][C@@H]3C[NH2+]CC[C@H]3c3ccc(F)c(F)c3)s2)cn1 ZINC000414954416 852872988 /nfs/dbraw/zinc/87/29/88/852872988.db2.gz KQMMWPQDCYXXNW-QFBILLFUSA-N 2 2 388.487 3.662 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)CC(C)C ZINC000516720425 852919176 /nfs/dbraw/zinc/91/91/76/852919176.db2.gz XTYFYOWXVWLJLV-GOSISDBHSA-N 2 2 389.519 3.567 20 0 GHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccncc3OC[C@H]3CCOC3)CC2)C1 ZINC000490370942 852986289 /nfs/dbraw/zinc/98/62/89/852986289.db2.gz OWRWNLDQZSGLNN-XQBPLPMBSA-N 2 2 387.568 3.630 20 0 GHADLP COc1ccccc1-c1ncc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cn1 ZINC000490561949 853105708 /nfs/dbraw/zinc/10/57/08/853105708.db2.gz XXTMETCZZBWOLU-UHFFFAOYSA-N 2 2 399.498 3.729 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000516876506 853106500 /nfs/dbraw/zinc/10/65/00/853106500.db2.gz ZPJHICQHZMWIGB-OALUTQOASA-N 2 2 395.547 3.652 20 0 GHADLP C[C@@H](CCNC(=O)Cc1c[nH+]cn1Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000518265028 853135523 /nfs/dbraw/zinc/13/55/23/853135523.db2.gz LSZGSQMOHUBBKW-FQEVSTJZSA-N 2 2 390.531 3.501 20 0 GHADLP C[C@@H](CCNC(=O)Cc1c[nH+]cn1Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000518265028 853135531 /nfs/dbraw/zinc/13/55/31/853135531.db2.gz LSZGSQMOHUBBKW-FQEVSTJZSA-N 2 2 390.531 3.501 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000473870803 853253344 /nfs/dbraw/zinc/25/33/44/853253344.db2.gz ZOYMASGJFGKZRH-CRAIPNDOSA-N 2 2 396.457 3.737 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc(OC)c1O ZINC000519666975 853374637 /nfs/dbraw/zinc/37/46/37/853374637.db2.gz CUYFPFWHSCMIGD-RTWAWAEBSA-N 2 2 396.531 3.896 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc(OC)c1O ZINC000519666975 853374643 /nfs/dbraw/zinc/37/46/43/853374643.db2.gz CUYFPFWHSCMIGD-RTWAWAEBSA-N 2 2 396.531 3.896 20 0 GHADLP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc(OC)c1O ZINC000519666975 853374650 /nfs/dbraw/zinc/37/46/50/853374650.db2.gz CUYFPFWHSCMIGD-RTWAWAEBSA-N 2 2 396.531 3.896 20 0 GHADLP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc(OC)c1O ZINC000519666975 853374654 /nfs/dbraw/zinc/37/46/54/853374654.db2.gz CUYFPFWHSCMIGD-RTWAWAEBSA-N 2 2 396.531 3.896 20 0 GHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623851605 862468838 /nfs/dbraw/zinc/46/88/38/862468838.db2.gz COJUFNQUUMQOAP-PXNSSMCTSA-N 2 2 387.549 3.622 20 0 GHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623851605 862468840 /nfs/dbraw/zinc/46/88/40/862468840.db2.gz COJUFNQUUMQOAP-PXNSSMCTSA-N 2 2 387.549 3.622 20 0 GHADLP CC[C@H](c1ccccc1)[N@H+](CC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000519909287 853601052 /nfs/dbraw/zinc/60/10/52/853601052.db2.gz QIGNDTYYCWWIJH-OAQYLSRUSA-N 2 2 380.536 3.594 20 0 GHADLP CC[C@H](c1ccccc1)[N@@H+](CC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000519909287 853601057 /nfs/dbraw/zinc/60/10/57/853601057.db2.gz QIGNDTYYCWWIJH-OAQYLSRUSA-N 2 2 380.536 3.594 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000415953427 853656406 /nfs/dbraw/zinc/65/64/06/853656406.db2.gz GVDSTWONJZSKFA-RBUKOAKNSA-N 2 2 390.890 3.895 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000415953427 853656416 /nfs/dbraw/zinc/65/64/16/853656416.db2.gz GVDSTWONJZSKFA-RBUKOAKNSA-N 2 2 390.890 3.895 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c(C)c1 ZINC000440866015 853712261 /nfs/dbraw/zinc/71/22/61/853712261.db2.gz YVEAPGJLTYNSOY-RTWAWAEBSA-N 2 2 399.583 3.907 20 0 GHADLP CC[C@H](C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000571130382 853760799 /nfs/dbraw/zinc/76/07/99/853760799.db2.gz NOUYTCKEOYUUPD-AUSIDOKSSA-N 2 2 395.547 3.929 20 0 GHADLP CC[C@H](C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000571130382 853760808 /nfs/dbraw/zinc/76/08/08/853760808.db2.gz NOUYTCKEOYUUPD-AUSIDOKSSA-N 2 2 395.547 3.929 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NCCc2ccccc2)c(C)c1 ZINC000441376734 854159559 /nfs/dbraw/zinc/15/95/59/854159559.db2.gz FNFFAIKIINKESJ-OFNKIYASSA-N 2 2 390.531 3.578 20 0 GHADLP O=C(NC1CC1)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000571800074 854159913 /nfs/dbraw/zinc/15/99/13/854159913.db2.gz PVWJKPYAJUTKQD-QHCPKHFHSA-N 2 2 389.543 3.866 20 0 GHADLP O=C(NC1CC1)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000571800074 854159918 /nfs/dbraw/zinc/15/99/18/854159918.db2.gz PVWJKPYAJUTKQD-QHCPKHFHSA-N 2 2 389.543 3.866 20 0 GHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441406287 854203046 /nfs/dbraw/zinc/20/30/46/854203046.db2.gz XMTLXROCSOVNRC-GGAORHGYSA-N 2 2 383.580 3.682 20 0 GHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441406287 854203052 /nfs/dbraw/zinc/20/30/52/854203052.db2.gz XMTLXROCSOVNRC-GGAORHGYSA-N 2 2 383.580 3.682 20 0 GHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441406287 854203056 /nfs/dbraw/zinc/20/30/56/854203056.db2.gz XMTLXROCSOVNRC-GGAORHGYSA-N 2 2 383.580 3.682 20 0 GHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441406287 854203060 /nfs/dbraw/zinc/20/30/60/854203060.db2.gz XMTLXROCSOVNRC-GGAORHGYSA-N 2 2 383.580 3.682 20 0 GHADLP C[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000604884692 862599182 /nfs/dbraw/zinc/59/91/82/862599182.db2.gz DDXIURGOBWHLHC-FCHUYYIVSA-N 2 2 378.564 3.719 20 0 GHADLP C[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000604884692 862599192 /nfs/dbraw/zinc/59/91/92/862599192.db2.gz DDXIURGOBWHLHC-FCHUYYIVSA-N 2 2 378.564 3.719 20 0 GHADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc2cc(OC)ccc2c1 ZINC000482008190 862602910 /nfs/dbraw/zinc/60/29/10/862602910.db2.gz MAYKOFUMKQLUDA-PKTZIBPZSA-N 2 2 397.563 3.832 20 0 GHADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc2cc(OC)ccc2c1 ZINC000482008190 862602915 /nfs/dbraw/zinc/60/29/15/862602915.db2.gz MAYKOFUMKQLUDA-PKTZIBPZSA-N 2 2 397.563 3.832 20 0 GHADLP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc[nH+]1 ZINC000330139076 862607835 /nfs/dbraw/zinc/60/78/35/862607835.db2.gz ORBOTXZWNMWAFH-HDAAZOAOSA-N 2 2 387.572 3.544 20 0 GHADLP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc[nH+]1 ZINC000330139076 862607836 /nfs/dbraw/zinc/60/78/36/862607836.db2.gz ORBOTXZWNMWAFH-HDAAZOAOSA-N 2 2 387.572 3.544 20 0 GHADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(I)cc1 ZINC000589350001 854821515 /nfs/dbraw/zinc/82/15/15/854821515.db2.gz QRFORSNPURLWAV-KBPBESRZSA-N 2 2 381.261 3.613 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3ccc(C[N@H+]4CCCC[C@H]4C)cc3)[nH+]c12 ZINC000624579427 854915659 /nfs/dbraw/zinc/91/56/59/854915659.db2.gz WNCXVQMHKNPNGW-LJQANCHMSA-N 2 2 390.531 3.876 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3ccc(C[N@@H+]4CCCC[C@H]4C)cc3)[nH+]c12 ZINC000624579427 854915664 /nfs/dbraw/zinc/91/56/64/854915664.db2.gz WNCXVQMHKNPNGW-LJQANCHMSA-N 2 2 390.531 3.876 20 0 GHADLP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c2ccccc2)CC1 ZINC000520502922 855545906 /nfs/dbraw/zinc/54/59/06/855545906.db2.gz RHOBYUZJQKJGFO-OALUTQOASA-N 2 2 389.465 3.670 20 0 GHADLP CC(C)c1ccc(CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000465749382 855826324 /nfs/dbraw/zinc/82/63/24/855826324.db2.gz ZWUVXMURMBAGIV-UHFFFAOYSA-N 2 2 386.584 3.560 20 0 GHADLP Cc1ccc2nc(NC(=O)C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)sc2c1 ZINC000185685542 856419473 /nfs/dbraw/zinc/41/94/73/856419473.db2.gz YCERJGUZBFMRQU-HZPDHXFCSA-N 2 2 386.565 3.786 20 0 GHADLP Cc1ccc2nc(NC(=O)C[NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)sc2c1 ZINC000185685542 856419477 /nfs/dbraw/zinc/41/94/77/856419477.db2.gz YCERJGUZBFMRQU-HZPDHXFCSA-N 2 2 386.565 3.786 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000573707803 856448875 /nfs/dbraw/zinc/44/88/75/856448875.db2.gz LFOAQWQGAFBLFX-VXKWHMMOSA-N 2 2 388.515 3.885 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000507897131 856646482 /nfs/dbraw/zinc/64/64/82/856646482.db2.gz UJPYBDIHZZTZCZ-NFBKMPQASA-N 2 2 388.515 3.999 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000507897131 856646487 /nfs/dbraw/zinc/64/64/87/856646487.db2.gz UJPYBDIHZZTZCZ-NFBKMPQASA-N 2 2 388.515 3.999 20 0 GHADLP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1c(F)cccc1F ZINC000485485941 856664589 /nfs/dbraw/zinc/66/45/89/856664589.db2.gz CKWPGAKSJMWUHI-UHFFFAOYSA-N 2 2 399.485 3.891 20 0 GHADLP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1c(F)cccc1F ZINC000485485941 856664595 /nfs/dbraw/zinc/66/45/95/856664595.db2.gz CKWPGAKSJMWUHI-UHFFFAOYSA-N 2 2 399.485 3.891 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000658121535 856694457 /nfs/dbraw/zinc/69/44/57/856694457.db2.gz AZIOJTDVLUMVKW-AYOQOUSVSA-N 2 2 385.474 3.772 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000658121535 856694464 /nfs/dbraw/zinc/69/44/64/856694464.db2.gz AZIOJTDVLUMVKW-AYOQOUSVSA-N 2 2 385.474 3.772 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]CCCn2cc[nH+]c2)cs1)c1ccc(C)c(C)c1 ZINC000674713849 856726890 /nfs/dbraw/zinc/72/68/90/856726890.db2.gz BTERLCPVSYVJHV-UHFFFAOYSA-N 2 2 383.521 3.821 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000181340861 862841529 /nfs/dbraw/zinc/84/15/29/862841529.db2.gz JZOJWFYQWZRQPG-KSSFIOAISA-N 2 2 395.334 3.662 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000181340861 862841534 /nfs/dbraw/zinc/84/15/34/862841534.db2.gz JZOJWFYQWZRQPG-KSSFIOAISA-N 2 2 395.334 3.662 20 0 GHADLP CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)Cn1ccc(-c2nccs2)n1 ZINC000766097888 857073550 /nfs/dbraw/zinc/07/35/50/857073550.db2.gz ZWYUIDQLCFAZNG-IBGZPJMESA-N 2 2 381.549 3.808 20 0 GHADLP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)Cn1ccc(-c2nccs2)n1 ZINC000766097888 857073558 /nfs/dbraw/zinc/07/35/58/857073558.db2.gz ZWYUIDQLCFAZNG-IBGZPJMESA-N 2 2 381.549 3.808 20 0 GHADLP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cn1ccc(-c2nccs2)n1 ZINC000766097888 857073564 /nfs/dbraw/zinc/07/35/64/857073564.db2.gz ZWYUIDQLCFAZNG-IBGZPJMESA-N 2 2 381.549 3.808 20 0 GHADLP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1ccc(-c2nccs2)n1 ZINC000766097888 857073573 /nfs/dbraw/zinc/07/35/73/857073573.db2.gz ZWYUIDQLCFAZNG-IBGZPJMESA-N 2 2 381.549 3.808 20 0 GHADLP Brc1cccc2c1OCCC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294202 857257645 /nfs/dbraw/zinc/25/76/45/857257645.db2.gz MHHRXCOMHRPCIV-CRAIPNDOSA-N 2 2 395.341 3.506 20 0 GHADLP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658296894 857279834 /nfs/dbraw/zinc/27/98/34/857279834.db2.gz WOAWIAHDHSSBEU-WOJBJXKFSA-N 2 2 395.385 3.859 20 0 GHADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000593293363 857456316 /nfs/dbraw/zinc/45/63/16/857456316.db2.gz UIDDFDAEHIDERP-GGAORHGYSA-N 2 2 380.536 3.958 20 0 GHADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000593293363 857456327 /nfs/dbraw/zinc/45/63/27/857456327.db2.gz UIDDFDAEHIDERP-GGAORHGYSA-N 2 2 380.536 3.958 20 0 GHADLP COCC[N@H+](C)CC[C@H](Nc1cc(N2CCC[C@H](C)C2)nc[nH+]1)c1ccccc1 ZINC000521118650 857616265 /nfs/dbraw/zinc/61/62/65/857616265.db2.gz GZZGBVMTDVABBE-FPOVZHCZSA-N 2 2 397.567 3.834 20 0 GHADLP COCC[N@@H+](C)CC[C@H](Nc1cc(N2CCC[C@H](C)C2)nc[nH+]1)c1ccccc1 ZINC000521118650 857616270 /nfs/dbraw/zinc/61/62/70/857616270.db2.gz GZZGBVMTDVABBE-FPOVZHCZSA-N 2 2 397.567 3.834 20 0 GHADLP COCC[N@H+](C)CC[C@H](Nc1cc(N2CCC[C@H](C)C2)[nH+]cn1)c1ccccc1 ZINC000521118650 857616274 /nfs/dbraw/zinc/61/62/74/857616274.db2.gz GZZGBVMTDVABBE-FPOVZHCZSA-N 2 2 397.567 3.834 20 0 GHADLP COCC[N@@H+](C)CC[C@H](Nc1cc(N2CCC[C@H](C)C2)[nH+]cn1)c1ccccc1 ZINC000521118650 857616279 /nfs/dbraw/zinc/61/62/79/857616279.db2.gz GZZGBVMTDVABBE-FPOVZHCZSA-N 2 2 397.567 3.834 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000675890543 857649919 /nfs/dbraw/zinc/64/99/19/857649919.db2.gz ODFFKLFAMSDFMY-CTNGQTDRSA-N 2 2 389.503 3.853 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000675890543 857649922 /nfs/dbraw/zinc/64/99/22/857649922.db2.gz ODFFKLFAMSDFMY-CTNGQTDRSA-N 2 2 389.503 3.853 20 0 GHADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C2CCCCC2)cc1 ZINC000675886018 857661026 /nfs/dbraw/zinc/66/10/26/857661026.db2.gz LHYAWISKOBPCJN-RDPSFJRHSA-N 2 2 385.596 3.791 20 0 GHADLP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000574340033 857680096 /nfs/dbraw/zinc/68/00/96/857680096.db2.gz RKAOZGBDKIGGES-POWXATIXSA-N 2 2 380.479 3.878 20 0 GHADLP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000574340033 857680099 /nfs/dbraw/zinc/68/00/99/857680099.db2.gz RKAOZGBDKIGGES-POWXATIXSA-N 2 2 380.479 3.878 20 0 GHADLP CN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676310091 857813969 /nfs/dbraw/zinc/81/39/69/857813969.db2.gz NILHIXWXIYQJGP-GOSISDBHSA-N 2 2 387.616 3.676 20 0 GHADLP CN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676310091 857813978 /nfs/dbraw/zinc/81/39/78/857813978.db2.gz NILHIXWXIYQJGP-GOSISDBHSA-N 2 2 387.616 3.676 20 0 GHADLP CC1CC[NH+](CCCCNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000543036283 858018622 /nfs/dbraw/zinc/01/86/22/858018622.db2.gz FYGSZWGZPMGIAT-UHFFFAOYSA-N 2 2 389.588 3.597 20 0 GHADLP C[N@H+](CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442752696 858111402 /nfs/dbraw/zinc/11/14/02/858111402.db2.gz FHIYEXPKJDYYKV-FANLQWHUSA-N 2 2 397.950 3.760 20 0 GHADLP C[N@@H+](CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442752696 858111408 /nfs/dbraw/zinc/11/14/08/858111408.db2.gz FHIYEXPKJDYYKV-FANLQWHUSA-N 2 2 397.950 3.760 20 0 GHADLP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543061237 858140863 /nfs/dbraw/zinc/14/08/63/858140863.db2.gz RAUIPLVMQMOXAM-UXHICEINSA-N 2 2 382.552 3.950 20 0 GHADLP O=C(NC1CC1)[C@H](c1ccc(F)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543059793 858148313 /nfs/dbraw/zinc/14/83/13/858148313.db2.gz GRUHLXOPTWIDIS-NRFANRHFSA-N 2 2 384.499 3.534 20 0 GHADLP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000521696107 858239258 /nfs/dbraw/zinc/23/92/58/858239258.db2.gz GXJWSWFLTGCOOL-YESZJQIVSA-N 2 2 393.601 3.759 20 0 GHADLP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000521696107 858239266 /nfs/dbraw/zinc/23/92/66/858239266.db2.gz GXJWSWFLTGCOOL-YESZJQIVSA-N 2 2 393.601 3.759 20 0 GHADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1nc(C[NH+]2CCC[C@H](C)C2)cs1 ZINC000521696107 858239274 /nfs/dbraw/zinc/23/92/74/858239274.db2.gz GXJWSWFLTGCOOL-YESZJQIVSA-N 2 2 393.601 3.759 20 0 GHADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1nc(C[NH+]2CCC[C@H](C)C2)cs1 ZINC000521696107 858239281 /nfs/dbraw/zinc/23/92/81/858239281.db2.gz GXJWSWFLTGCOOL-YESZJQIVSA-N 2 2 393.601 3.759 20 0 GHADLP C[C@@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C[C@H]1n1cc[nH+]c1 ZINC000443067703 858336170 /nfs/dbraw/zinc/33/61/70/858336170.db2.gz UNDLBYLVDZOMFS-VDEHWKIFSA-N 2 2 392.547 3.595 20 0 GHADLP C[C@@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C[C@H]1n1cc[nH+]c1 ZINC000443067703 858336176 /nfs/dbraw/zinc/33/61/76/858336176.db2.gz UNDLBYLVDZOMFS-VDEHWKIFSA-N 2 2 392.547 3.595 20 0 GHADLP CC[C@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[N@H+](C)Cc1ccccc1 ZINC000521946862 858477445 /nfs/dbraw/zinc/47/74/45/858477445.db2.gz IQNGNWDVNFFPHQ-RBBKRZOGSA-N 2 2 394.563 3.836 20 0 GHADLP CC[C@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[N@@H+](C)Cc1ccccc1 ZINC000521946862 858477451 /nfs/dbraw/zinc/47/74/51/858477451.db2.gz IQNGNWDVNFFPHQ-RBBKRZOGSA-N 2 2 394.563 3.836 20 0 GHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@H]2CC(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000466152101 858483248 /nfs/dbraw/zinc/48/32/48/858483248.db2.gz CNLYEQAFCSYQEZ-IBGZPJMESA-N 2 2 378.605 3.547 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc(OC)c1O ZINC000575026541 858496945 /nfs/dbraw/zinc/49/69/45/858496945.db2.gz ZUVINHAGLQSMCD-XMMPIXPASA-N 2 2 396.531 3.898 20 0 GHADLP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc(OC)c1O ZINC000575026541 858496951 /nfs/dbraw/zinc/49/69/51/858496951.db2.gz ZUVINHAGLQSMCD-XMMPIXPASA-N 2 2 396.531 3.898 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc(OC)c1O ZINC000575026541 858496952 /nfs/dbraw/zinc/49/69/52/858496952.db2.gz ZUVINHAGLQSMCD-XMMPIXPASA-N 2 2 396.531 3.898 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc(OC)c1O ZINC000575026541 858496958 /nfs/dbraw/zinc/49/69/58/858496958.db2.gz ZUVINHAGLQSMCD-XMMPIXPASA-N 2 2 396.531 3.898 20 0 GHADLP CCc1cc(N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)c2ccccc2[nH+]1 ZINC000575155295 858610352 /nfs/dbraw/zinc/61/03/52/858610352.db2.gz HRKBNRFWCKBWAM-LPHOPBHVSA-N 2 2 381.499 3.580 20 0 GHADLP CCc1cc(N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)c2ccccc2[nH+]1 ZINC000575155295 858610354 /nfs/dbraw/zinc/61/03/54/858610354.db2.gz HRKBNRFWCKBWAM-LPHOPBHVSA-N 2 2 381.499 3.580 20 0 GHADLP CCOC(=O)c1ccnc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001168016368 858616974 /nfs/dbraw/zinc/61/69/74/858616974.db2.gz VOUZEJNBNQZUBX-QZTJIDSGSA-N 2 2 381.520 3.790 20 0 GHADLP COc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(Br)c1 ZINC000323815621 858618272 /nfs/dbraw/zinc/61/82/72/858618272.db2.gz MTICWNZBJYPTAY-UHFFFAOYSA-N 2 2 376.298 3.611 20 0 GHADLP CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3-n3cc[nH+]c3)cc2)CC1 ZINC000522177209 858731626 /nfs/dbraw/zinc/73/16/26/858731626.db2.gz KBSGXHAQZGUHCQ-UHFFFAOYSA-N 2 2 389.503 3.655 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)N(C)Cc3ccc(C[NH+](C)C)cc3)cn2c1 ZINC000843783734 858734053 /nfs/dbraw/zinc/73/40/53/858734053.db2.gz ACHAPHRPNYBSBZ-UHFFFAOYSA-N 2 2 396.560 3.596 20 0 GHADLP CN(C(=O)c1ccnc2ccccc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183667425 858790946 /nfs/dbraw/zinc/79/09/46/858790946.db2.gz PHHKHMQPHJGOSD-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccnc2ccccc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183667425 858790949 /nfs/dbraw/zinc/79/09/49/858790949.db2.gz PHHKHMQPHJGOSD-GOTSBHOMSA-N 2 2 394.563 3.644 20 0 GHADLP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000183702635 858802206 /nfs/dbraw/zinc/80/22/06/858802206.db2.gz RMZRBNDPCNYYGN-DYXWJJEUSA-N 2 2 396.531 3.942 20 0 GHADLP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000183702635 858802216 /nfs/dbraw/zinc/80/22/16/858802216.db2.gz RMZRBNDPCNYYGN-DYXWJJEUSA-N 2 2 396.531 3.942 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1CC[NH+]1CCCOCC1 ZINC000429281693 858922901 /nfs/dbraw/zinc/92/29/01/858922901.db2.gz DBWVVMLWUVJITR-JOCHJYFZSA-N 2 2 394.003 3.595 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1CC[NH+]1CCCOCC1 ZINC000429281693 858922906 /nfs/dbraw/zinc/92/29/06/858922906.db2.gz DBWVVMLWUVJITR-JOCHJYFZSA-N 2 2 394.003 3.595 20 0 GHADLP CC(C)C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1CC[N@@H+]1CCCOCC1 ZINC000429281693 858922912 /nfs/dbraw/zinc/92/29/12/858922912.db2.gz DBWVVMLWUVJITR-JOCHJYFZSA-N 2 2 394.003 3.595 20 0 GHADLP CC(C)C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1CC[N@H+]1CCCOCC1 ZINC000429281693 858922916 /nfs/dbraw/zinc/92/29/16/858922916.db2.gz DBWVVMLWUVJITR-JOCHJYFZSA-N 2 2 394.003 3.595 20 0 GHADLP c1sc(C2CC2)nc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000113324139 858939445 /nfs/dbraw/zinc/93/94/45/858939445.db2.gz XPGXLTFQPMFEID-UHFFFAOYSA-N 2 2 384.593 3.708 20 0 GHADLP Cc1cnn(-c2cc[nH+]cc2NCc2c[nH+]c3c(C)cc(Br)cn23)c1 ZINC000543237889 858990982 /nfs/dbraw/zinc/99/09/82/858990982.db2.gz FSIPWIZQYNUHEV-UHFFFAOYSA-N 2 2 397.280 3.906 20 0 GHADLP Cc1c([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)nnn1-c1ccc(C)cc1 ZINC000483126411 859165839 /nfs/dbraw/zinc/16/58/39/859165839.db2.gz KZXSFBOMADIZTR-INIZCTEOSA-N 2 2 381.499 3.936 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483141696 859178791 /nfs/dbraw/zinc/17/87/91/859178791.db2.gz SUOHNHLANPCFAR-NRFANRHFSA-N 2 2 398.595 3.801 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483141696 859178798 /nfs/dbraw/zinc/17/87/98/859178798.db2.gz SUOHNHLANPCFAR-NRFANRHFSA-N 2 2 398.595 3.801 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(OC)c(OC)cc2F)[C@@H](C)C1 ZINC000483144902 859179757 /nfs/dbraw/zinc/17/97/57/859179757.db2.gz OKDGAKZVBQAYGF-FCEWJHQRSA-N 2 2 382.520 3.631 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(OC)c(OC)cc2F)[C@@H](C)C1 ZINC000483144902 859179764 /nfs/dbraw/zinc/17/97/64/859179764.db2.gz OKDGAKZVBQAYGF-FCEWJHQRSA-N 2 2 382.520 3.631 20 0 GHADLP CCc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000189016032 881394522 /nfs/dbraw/zinc/39/45/22/881394522.db2.gz OHBJTCVSCQVVKS-XZOQPEGZSA-N 2 2 385.596 3.587 20 0 GHADLP CCc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000189016032 881394599 /nfs/dbraw/zinc/39/45/99/881394599.db2.gz OHBJTCVSCQVVKS-XZOQPEGZSA-N 2 2 385.596 3.587 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1Cl ZINC000597067074 859260048 /nfs/dbraw/zinc/26/00/48/859260048.db2.gz DLYSWZNZIICYBD-OAHLLOKOSA-N 2 2 387.911 3.837 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1nnn(-c3ccc(Cl)cc3)c1C)CCC2 ZINC000483449928 859366790 /nfs/dbraw/zinc/36/67/90/859366790.db2.gz QIGWQURUUNVUEL-GOEBONIOSA-N 2 2 384.915 3.962 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](CC(C)(C)C)c3ccc(F)cc3)CC[C@@H]21 ZINC000483501407 859414244 /nfs/dbraw/zinc/41/42/44/859414244.db2.gz IWGSZLOWDUVOQO-NRSPTQNISA-N 2 2 389.559 3.835 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](CC(C)(C)C)c3ccc(F)cc3)CC[C@@H]21 ZINC000483501407 859414250 /nfs/dbraw/zinc/41/42/50/859414250.db2.gz IWGSZLOWDUVOQO-NRSPTQNISA-N 2 2 389.559 3.835 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](CC(C)(C)C)c3ccc(F)cc3)CC[C@@H]21 ZINC000483501407 859414257 /nfs/dbraw/zinc/41/42/57/859414257.db2.gz IWGSZLOWDUVOQO-NRSPTQNISA-N 2 2 389.559 3.835 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](CC(C)(C)C)c3ccc(F)cc3)CC[C@@H]21 ZINC000483501407 859414262 /nfs/dbraw/zinc/41/42/62/859414262.db2.gz IWGSZLOWDUVOQO-NRSPTQNISA-N 2 2 389.559 3.835 20 0 GHADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000626062667 859435749 /nfs/dbraw/zinc/43/57/49/859435749.db2.gz AOIZNMOLVSNKSX-QGZVFWFLSA-N 2 2 383.536 3.989 20 0 GHADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000626062667 859435752 /nfs/dbraw/zinc/43/57/52/859435752.db2.gz AOIZNMOLVSNKSX-QGZVFWFLSA-N 2 2 383.536 3.989 20 0 GHADLP CCC[N@H+](Cc1nc(CC(C)C)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114197899 859493192 /nfs/dbraw/zinc/49/31/92/859493192.db2.gz RFNZRXZFSJIJOL-UHFFFAOYSA-N 2 2 386.544 3.556 20 0 GHADLP CCC[N@@H+](Cc1nc(CC(C)C)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114197899 859493196 /nfs/dbraw/zinc/49/31/96/859493196.db2.gz RFNZRXZFSJIJOL-UHFFFAOYSA-N 2 2 386.544 3.556 20 0 GHADLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)CCO1 ZINC000895474411 859558017 /nfs/dbraw/zinc/55/80/17/859558017.db2.gz UORAYDKPMQNAJW-OAHLLOKOSA-N 2 2 383.558 3.638 20 0 GHADLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)CCO1 ZINC000895474411 859558022 /nfs/dbraw/zinc/55/80/22/859558022.db2.gz UORAYDKPMQNAJW-OAHLLOKOSA-N 2 2 383.558 3.638 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc(C(C)(C)C)co3)C2)ccn1 ZINC000895501667 859602046 /nfs/dbraw/zinc/60/20/46/859602046.db2.gz ZUZINCCPAVOLBT-IBGZPJMESA-N 2 2 386.540 3.861 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc(C(C)(C)C)co3)C2)ccn1 ZINC000895501667 859602049 /nfs/dbraw/zinc/60/20/49/859602049.db2.gz ZUZINCCPAVOLBT-IBGZPJMESA-N 2 2 386.540 3.861 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3nc(C(C)(C)C)co3)C2)ccn1 ZINC000895501667 859602055 /nfs/dbraw/zinc/60/20/55/859602055.db2.gz ZUZINCCPAVOLBT-IBGZPJMESA-N 2 2 386.540 3.861 20 0 GHADLP Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000484071598 859787568 /nfs/dbraw/zinc/78/75/68/859787568.db2.gz UIHKEAIFVQXZCB-DEOSSOPVSA-N 2 2 390.531 3.652 20 0 GHADLP C[C@@H](CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)C1CC[NH2+]CC1 ZINC000163450055 859827813 /nfs/dbraw/zinc/82/78/13/859827813.db2.gz GGJLALITSJJVFD-INIZCTEOSA-N 2 2 398.576 3.666 20 0 GHADLP C[C@@H](CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)C1CC[NH2+]CC1 ZINC000163450055 859827821 /nfs/dbraw/zinc/82/78/21/859827821.db2.gz GGJLALITSJJVFD-INIZCTEOSA-N 2 2 398.576 3.666 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC000484175902 859848407 /nfs/dbraw/zinc/84/84/07/859848407.db2.gz SDJWHSFWAACEMJ-KBXCAEBGSA-N 2 2 395.366 3.798 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC000484175902 859848412 /nfs/dbraw/zinc/84/84/12/859848412.db2.gz SDJWHSFWAACEMJ-KBXCAEBGSA-N 2 2 395.366 3.798 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1OC(F)(F)F ZINC000484155015 859850966 /nfs/dbraw/zinc/85/09/66/859850966.db2.gz DNAIXSLFLUCUHE-JXFKEZNVSA-N 2 2 394.437 3.873 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OC(F)(F)F ZINC000484155015 859850981 /nfs/dbraw/zinc/85/09/81/859850981.db2.gz DNAIXSLFLUCUHE-JXFKEZNVSA-N 2 2 394.437 3.873 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)Cc3cn(C)nc3C(F)F)cc2)C[C@H](C)O1 ZINC000895740568 859886951 /nfs/dbraw/zinc/88/69/51/859886951.db2.gz VZSISGYKJGMSSI-IYBDPMFKSA-N 2 2 392.494 3.599 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3cn(C)nc3C(F)F)cc2)C[C@H](C)O1 ZINC000895740568 859886960 /nfs/dbraw/zinc/88/69/60/859886960.db2.gz VZSISGYKJGMSSI-IYBDPMFKSA-N 2 2 392.494 3.599 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3cn(C)nc3C(F)F)cc2)C[C@H](C)O1 ZINC000895740568 859886974 /nfs/dbraw/zinc/88/69/74/859886974.db2.gz VZSISGYKJGMSSI-IYBDPMFKSA-N 2 2 392.494 3.599 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3cn(C)nc3C(F)F)cc2)C[C@H](C)O1 ZINC000895740568 859886981 /nfs/dbraw/zinc/88/69/81/859886981.db2.gz VZSISGYKJGMSSI-IYBDPMFKSA-N 2 2 392.494 3.599 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@@H]32)cc1 ZINC000765544015 860120269 /nfs/dbraw/zinc/12/02/69/860120269.db2.gz DMFOHORQWQEXKH-SFTDATJTSA-N 2 2 377.536 3.568 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@@H]32)cc1 ZINC000765544015 860120272 /nfs/dbraw/zinc/12/02/72/860120272.db2.gz DMFOHORQWQEXKH-SFTDATJTSA-N 2 2 377.536 3.568 20 0 GHADLP CN(C(=O)c1cccc2c1CCCC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001127905665 860231118 /nfs/dbraw/zinc/23/11/18/860231118.db2.gz HLLNKYQVDQYMNF-DNQXCXABSA-N 2 2 397.607 3.975 20 0 GHADLP CN(C(=O)c1cccc2c1CCCC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001127905665 860231129 /nfs/dbraw/zinc/23/11/29/860231129.db2.gz HLLNKYQVDQYMNF-DNQXCXABSA-N 2 2 397.607 3.975 20 0 GHADLP CN(C(=O)Nc1cccc(F)c1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000120308208 881515076 /nfs/dbraw/zinc/51/50/76/881515076.db2.gz MRHACWMOMFREMS-MOPGFXCFSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1cccc(F)c1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000120308208 881515124 /nfs/dbraw/zinc/51/51/24/881515124.db2.gz MRHACWMOMFREMS-MOPGFXCFSA-N 2 2 394.510 3.766 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CCCO2 ZINC000191832895 860360868 /nfs/dbraw/zinc/36/08/68/860360868.db2.gz HJFQGAMPJMQQFY-JTHBVZDNSA-N 2 2 396.531 3.790 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCCO2 ZINC000191832895 860360878 /nfs/dbraw/zinc/36/08/78/860360878.db2.gz HJFQGAMPJMQQFY-JTHBVZDNSA-N 2 2 396.531 3.790 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2nc3cc(Br)ccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000509023826 860581544 /nfs/dbraw/zinc/58/15/44/860581544.db2.gz YRPOBQHBEDUMHY-DOMZBBRYSA-N 2 2 375.270 3.870 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2nc3cc(Br)ccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000509023826 860581549 /nfs/dbraw/zinc/58/15/49/860581549.db2.gz YRPOBQHBEDUMHY-DOMZBBRYSA-N 2 2 375.270 3.870 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc(C(C)(C)C)cs3)C2)ccn1 ZINC000856589789 881559973 /nfs/dbraw/zinc/55/99/73/881559973.db2.gz NTSVSKLFRSJASG-SFHVURJKSA-N 2 2 388.581 3.941 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc(C(C)(C)C)cs3)C2)ccn1 ZINC000856589789 881559987 /nfs/dbraw/zinc/55/99/87/881559987.db2.gz NTSVSKLFRSJASG-SFHVURJKSA-N 2 2 388.581 3.941 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3nc(C(C)(C)C)cs3)C2)ccn1 ZINC000856589789 881560001 /nfs/dbraw/zinc/56/00/01/881560001.db2.gz NTSVSKLFRSJASG-SFHVURJKSA-N 2 2 388.581 3.941 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3nc(C(C)(C)C)cs3)C2)ccn1 ZINC000856589789 881560019 /nfs/dbraw/zinc/56/00/19/881560019.db2.gz NTSVSKLFRSJASG-SFHVURJKSA-N 2 2 388.581 3.941 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3coc(-c4cccs4)n3)C2)ccn1 ZINC000856592410 881563792 /nfs/dbraw/zinc/56/37/92/881563792.db2.gz HIMITNVRGBSANK-IBGZPJMESA-N 2 2 398.532 3.903 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3coc(-c4cccs4)n3)C2)ccn1 ZINC000856592410 881563802 /nfs/dbraw/zinc/56/38/02/881563802.db2.gz HIMITNVRGBSANK-IBGZPJMESA-N 2 2 398.532 3.903 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3coc(-c4cccs4)n3)C2)ccn1 ZINC000856592410 881563811 /nfs/dbraw/zinc/56/38/11/881563811.db2.gz HIMITNVRGBSANK-IBGZPJMESA-N 2 2 398.532 3.903 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3coc(-c4cccs4)n3)C2)ccn1 ZINC000856592410 881563821 /nfs/dbraw/zinc/56/38/21/881563821.db2.gz HIMITNVRGBSANK-IBGZPJMESA-N 2 2 398.532 3.903 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(Cl)nc(Cl)c3)C2)ccn1 ZINC000856590329 881564121 /nfs/dbraw/zinc/56/41/21/881564121.db2.gz SOBGEPYBCLJCDU-QGZVFWFLSA-N 2 2 395.334 3.888 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(Cl)nc(Cl)c3)C2)ccn1 ZINC000856590329 881564130 /nfs/dbraw/zinc/56/41/30/881564130.db2.gz SOBGEPYBCLJCDU-QGZVFWFLSA-N 2 2 395.334 3.888 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(Cl)nc(Cl)c3)C2)ccn1 ZINC000856590329 881564140 /nfs/dbraw/zinc/56/41/40/881564140.db2.gz SOBGEPYBCLJCDU-QGZVFWFLSA-N 2 2 395.334 3.888 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)nc(Cl)c3)C2)ccn1 ZINC000856590329 881564147 /nfs/dbraw/zinc/56/41/47/881564147.db2.gz SOBGEPYBCLJCDU-QGZVFWFLSA-N 2 2 395.334 3.888 20 0 GHADLP CCc1noc([C@@H]2CC[C@H]([NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)C2)n1 ZINC000922871232 860702019 /nfs/dbraw/zinc/70/20/19/860702019.db2.gz WIOQNCICWAWPSN-AEFFLSMTSA-N 2 2 383.540 3.593 20 0 GHADLP Fc1ccc(Oc2nc3ccccn3c2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000623345172 860893353 /nfs/dbraw/zinc/89/33/53/860893353.db2.gz UWCYSZLHMFAEJY-UHFFFAOYSA-N 2 2 380.467 3.982 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000192623714 860901297 /nfs/dbraw/zinc/90/12/97/860901297.db2.gz BZXHJVWJCMQYIA-GOSISDBHSA-N 2 2 396.572 3.576 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000192623714 860901318 /nfs/dbraw/zinc/90/13/18/860901318.db2.gz BZXHJVWJCMQYIA-GOSISDBHSA-N 2 2 396.572 3.576 20 0 GHADLP C[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000599321846 861058979 /nfs/dbraw/zinc/05/89/79/861058979.db2.gz USGFCAGEFKCMCD-GOSISDBHSA-N 2 2 395.572 3.621 20 0 GHADLP C[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000599321846 861058987 /nfs/dbraw/zinc/05/89/87/861058987.db2.gz USGFCAGEFKCMCD-GOSISDBHSA-N 2 2 395.572 3.621 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cnc(C(F)(F)F)s3)c2)CCO1 ZINC000443985789 863083140 /nfs/dbraw/zinc/08/31/40/863083140.db2.gz ZKDJPBJTJNFULR-CYBMUJFWSA-N 2 2 385.455 3.672 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(C(F)(F)F)s3)c2)CCO1 ZINC000443985789 863083158 /nfs/dbraw/zinc/08/31/58/863083158.db2.gz ZKDJPBJTJNFULR-CYBMUJFWSA-N 2 2 385.455 3.672 20 0 GHADLP CCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000522713131 863124947 /nfs/dbraw/zinc/12/49/47/863124947.db2.gz RYDGQDFQCMWGRS-QHCPKHFHSA-N 2 2 378.564 3.678 20 0 GHADLP CCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000522713131 863124956 /nfs/dbraw/zinc/12/49/56/863124956.db2.gz RYDGQDFQCMWGRS-QHCPKHFHSA-N 2 2 378.564 3.678 20 0 GHADLP CCSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000182130161 863131006 /nfs/dbraw/zinc/13/10/06/863131006.db2.gz CUGYLCFXTOWFCN-ZWKOTPCHSA-N 2 2 398.576 3.582 20 0 GHADLP CC[C@@H]([NH2+]CC1(C[NH2+][C@@H](CC)c2c(C)noc2C)COC1)c1c(C)noc1C ZINC000182469092 863239190 /nfs/dbraw/zinc/23/91/90/863239190.db2.gz QEQILDPXRLSVIV-HDICACEKSA-N 2 2 390.528 3.694 20 0 GHADLP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000482551644 863295455 /nfs/dbraw/zinc/29/54/55/863295455.db2.gz HVUPLRDHYNBKQO-IBGZPJMESA-N 3 2 378.520 3.706 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000281687108 863325013 /nfs/dbraw/zinc/32/50/13/863325013.db2.gz RXBCLRIEHCVTAQ-JOCHJYFZSA-N 2 2 384.524 3.668 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444201525 863659694 /nfs/dbraw/zinc/65/96/94/863659694.db2.gz YUJHLPUXRRAPOI-IRXDYDNUSA-N 2 2 395.950 3.634 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444201525 863659699 /nfs/dbraw/zinc/65/96/99/863659699.db2.gz YUJHLPUXRRAPOI-IRXDYDNUSA-N 2 2 395.950 3.634 20 0 GHADLP CCOc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1OCc1ccccc1 ZINC000494421925 881700528 /nfs/dbraw/zinc/70/05/28/881700528.db2.gz ATQOMDGIKOHWLF-HXUWFJFHSA-N 2 2 377.488 3.965 20 0 GHADLP C[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158589268 863881512 /nfs/dbraw/zinc/88/15/12/863881512.db2.gz ZRXTVSDLIXZWHR-WZONZLPQSA-N 2 2 394.494 3.736 20 0 GHADLP Brc1ccc(-c2ncc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)s2)cc1 ZINC000494439816 881723509 /nfs/dbraw/zinc/72/35/09/881723509.db2.gz VRHHNBDDBJPWTP-AWEZNQCLSA-N 2 2 389.322 3.874 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)nc(C)[nH+]1 ZINC000621629340 864328820 /nfs/dbraw/zinc/32/88/20/864328820.db2.gz LXBAGACKRWYUOV-UHFFFAOYSA-N 2 2 388.515 3.995 20 0 GHADLP CC(C)CCOc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000607366826 864350579 /nfs/dbraw/zinc/35/05/79/864350579.db2.gz WHXNVLQWXZGBKV-XMMPIXPASA-N 2 2 382.548 3.838 20 0 GHADLP CC(C)CCOc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000607366826 864350592 /nfs/dbraw/zinc/35/05/92/864350592.db2.gz WHXNVLQWXZGBKV-XMMPIXPASA-N 2 2 382.548 3.838 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccccc2OC2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366626 864352930 /nfs/dbraw/zinc/35/29/30/864352930.db2.gz PWVFFOKTCYLEDR-XMMPIXPASA-N 2 2 380.532 3.735 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccccc2OC2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366626 864352944 /nfs/dbraw/zinc/35/29/44/864352944.db2.gz PWVFFOKTCYLEDR-XMMPIXPASA-N 2 2 380.532 3.735 20 0 GHADLP Cc1ccc([C@@H](CN2CCOCC2)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000480482037 864707915 /nfs/dbraw/zinc/70/79/15/864707915.db2.gz ZMTCHMHRGISNNK-GBXCKJPGSA-N 2 2 390.531 3.905 20 0 GHADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000554714476 864763970 /nfs/dbraw/zinc/76/39/70/864763970.db2.gz YLVSPUJLDRNZKI-CYBMUJFWSA-N 2 2 380.305 3.884 20 0 GHADLP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000167155962 864770582 /nfs/dbraw/zinc/77/05/82/864770582.db2.gz XUFKYPJGBICJIE-NZQKXSOJSA-N 2 2 397.563 3.806 20 0 GHADLP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000167155962 864770593 /nfs/dbraw/zinc/77/05/93/864770593.db2.gz XUFKYPJGBICJIE-NZQKXSOJSA-N 2 2 397.563 3.806 20 0 GHADLP C[C@@H]1CN(c2ccc(N[C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)c[nH+]2)C[C@H](C)O1 ZINC000550784796 881809847 /nfs/dbraw/zinc/80/98/47/881809847.db2.gz XXSXMZLKVNTSRD-BAYUQKDNSA-N 2 2 380.536 3.943 20 0 GHADLP C[C@@H]1CN(c2ccc(N[C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)c[nH+]2)C[C@H](C)O1 ZINC000550784796 881809863 /nfs/dbraw/zinc/80/98/63/881809863.db2.gz XXSXMZLKVNTSRD-BAYUQKDNSA-N 2 2 380.536 3.943 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000444343945 864977998 /nfs/dbraw/zinc/97/79/98/864977998.db2.gz NOWIILGEESBFDJ-YWZLYKJASA-N 2 2 397.548 3.905 20 0 GHADLP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(OC(F)F)cc1C ZINC000608058100 864981254 /nfs/dbraw/zinc/98/12/54/864981254.db2.gz RADBEWBQSLOJKZ-QFIPXVFZSA-N 2 2 390.474 3.631 20 0 GHADLP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(OC(F)F)cc1C ZINC000608058100 864981260 /nfs/dbraw/zinc/98/12/60/864981260.db2.gz RADBEWBQSLOJKZ-QFIPXVFZSA-N 2 2 390.474 3.631 20 0 GHADLP CCOc1cc2[nH+]ccc(N3CCN(c4cccc[nH+]4)CC3)c2cc1OCC ZINC000301184300 865212136 /nfs/dbraw/zinc/21/21/36/865212136.db2.gz QXTDDDKVFNPOMX-UHFFFAOYSA-N 2 2 378.476 3.754 20 0 GHADLP Cn1cc[nH+]c1C[C@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)c1ccccc1 ZINC000608394051 865307444 /nfs/dbraw/zinc/30/74/44/865307444.db2.gz DNSBFKQUBMIXAW-FQEVSTJZSA-N 2 2 397.567 3.658 20 0 GHADLP Brc1cccc2c(N3CCC(C[NH+]4CCOCC4)CC3)cc[nH+]c12 ZINC000301540888 865412277 /nfs/dbraw/zinc/41/22/77/865412277.db2.gz SEHDXGBAAQYPSN-UHFFFAOYSA-N 2 2 390.325 3.546 20 0 GHADLP COc1ccc(OC)c([C@H](O)C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000738333366 865519511 /nfs/dbraw/zinc/51/95/11/865519511.db2.gz UWSJGJGQNJCEAJ-KKLQWCBXSA-N 2 2 398.547 3.722 20 0 GHADLP COc1ccc(OC)c([C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000738333366 865519517 /nfs/dbraw/zinc/51/95/17/865519517.db2.gz UWSJGJGQNJCEAJ-KKLQWCBXSA-N 2 2 398.547 3.722 20 0 GHADLP COc1ccc(OC)c([C@H](O)C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000738333366 865519523 /nfs/dbraw/zinc/51/95/23/865519523.db2.gz UWSJGJGQNJCEAJ-KKLQWCBXSA-N 2 2 398.547 3.722 20 0 GHADLP COc1ccc(OC)c([C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000738333366 865519528 /nfs/dbraw/zinc/51/95/28/865519528.db2.gz UWSJGJGQNJCEAJ-KKLQWCBXSA-N 2 2 398.547 3.722 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+](CCn2cc[nH+]c2)Cc2ccccc2)C1 ZINC000766244475 865836550 /nfs/dbraw/zinc/83/65/50/865836550.db2.gz VRGFEIXFGIURAR-HXUWFJFHSA-N 2 2 384.524 3.785 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+](CCn2cc[nH+]c2)Cc2ccccc2)C1 ZINC000766244475 865836564 /nfs/dbraw/zinc/83/65/64/865836564.db2.gz VRGFEIXFGIURAR-HXUWFJFHSA-N 2 2 384.524 3.785 20 0 GHADLP CN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCC(C(C)(C)C)CC1 ZINC000622946676 865837179 /nfs/dbraw/zinc/83/71/79/865837179.db2.gz ZAEZTNWCMBXVNY-UHFFFAOYSA-N 2 2 392.632 3.791 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)o1 ZINC000174564739 865889159 /nfs/dbraw/zinc/88/91/59/865889159.db2.gz XMNRDTJCYKECTB-UHFFFAOYSA-N 2 2 379.508 3.803 20 0 GHADLP CC1CC[NH+](Cc2ccccc2CNc2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000302778562 865918766 /nfs/dbraw/zinc/91/87/66/865918766.db2.gz HCHXUTCXCZJJPU-UHFFFAOYSA-N 2 2 397.592 3.874 20 0 GHADLP CC1CC[NH+](Cc2ccccc2CNc2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000302778562 865918772 /nfs/dbraw/zinc/91/87/72/865918772.db2.gz HCHXUTCXCZJJPU-UHFFFAOYSA-N 2 2 397.592 3.874 20 0 GHADLP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481194450 865980935 /nfs/dbraw/zinc/98/09/35/865980935.db2.gz VDYCNKFUDGWGHI-UUOWRZLLSA-N 2 2 398.522 3.950 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2)C1=O ZINC000481202259 865995688 /nfs/dbraw/zinc/99/56/88/865995688.db2.gz SBKBVTVDINUKLW-OIBXWCBGSA-N 2 2 377.532 3.682 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2)C1=O ZINC000481202259 865995694 /nfs/dbraw/zinc/99/56/94/865995694.db2.gz SBKBVTVDINUKLW-OIBXWCBGSA-N 2 2 377.532 3.682 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2)C1=O ZINC000481202261 865995730 /nfs/dbraw/zinc/99/57/30/865995730.db2.gz SBKBVTVDINUKLW-PTUXOGIPSA-N 2 2 377.532 3.682 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2)C1=O ZINC000481202261 865995735 /nfs/dbraw/zinc/99/57/35/865995735.db2.gz SBKBVTVDINUKLW-PTUXOGIPSA-N 2 2 377.532 3.682 20 0 GHADLP CC1CC[NH+]([C@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)c2ccccc2)CC1 ZINC000103309338 866039767 /nfs/dbraw/zinc/03/97/67/866039767.db2.gz LVQYVYYSSGILPB-JOCHJYFZSA-N 2 2 395.551 3.703 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)c2)CCO1 ZINC000153456535 866488880 /nfs/dbraw/zinc/48/88/80/866488880.db2.gz YGKZGMFACVZSHS-HXUWFJFHSA-N 3 2 385.596 3.794 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)c2)CCO1 ZINC000153456535 866488892 /nfs/dbraw/zinc/48/88/92/866488892.db2.gz YGKZGMFACVZSHS-HXUWFJFHSA-N 3 2 385.596 3.794 20 0 GHADLP C[C@@H]1CN(Cc2cccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)c2)CCO1 ZINC000153456535 866488902 /nfs/dbraw/zinc/48/89/02/866488902.db2.gz YGKZGMFACVZSHS-HXUWFJFHSA-N 2 2 385.596 3.794 20 0 GHADLP Cc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000534361190 866645784 /nfs/dbraw/zinc/64/57/84/866645784.db2.gz VTHWTULNACYXFQ-DHIUTWEWSA-N 2 2 385.596 3.642 20 0 GHADLP Cc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000534361190 866645794 /nfs/dbraw/zinc/64/57/94/866645794.db2.gz VTHWTULNACYXFQ-DHIUTWEWSA-N 2 2 385.596 3.642 20 0 GHADLP CN(C(=O)[C@@H]1CCCC(C)(C)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534464900 866833482 /nfs/dbraw/zinc/83/34/82/866833482.db2.gz KTCNDDRXUUQUST-NRSPTQNISA-N 2 2 377.617 3.998 20 0 GHADLP CN(C(=O)[C@@H]1CCCC(C)(C)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534464900 866833493 /nfs/dbraw/zinc/83/34/93/866833493.db2.gz KTCNDDRXUUQUST-NRSPTQNISA-N 2 2 377.617 3.998 20 0 GHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)C2)CC1 ZINC000793233443 882026931 /nfs/dbraw/zinc/02/69/31/882026931.db2.gz TVUJRCAPNYFPAE-PEHJNBARSA-N 2 2 380.545 3.761 20 0 GHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000153546563 866940561 /nfs/dbraw/zinc/94/05/61/866940561.db2.gz GLRUUZWONJSQRF-WSTZPKSXSA-N 2 2 383.540 3.605 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)[C@@H](C)C1CCCCC1 ZINC000544425168 882032046 /nfs/dbraw/zinc/03/20/46/882032046.db2.gz QLDMWOGLHMBZOH-CVEARBPZSA-N 2 2 378.586 3.872 20 0 GHADLP Cn1ncc2c1nc[nH+]c2NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000509707396 867323290 /nfs/dbraw/zinc/32/32/90/867323290.db2.gz HDOVGRIHUOWDKE-UHFFFAOYSA-N 2 2 378.524 3.510 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000523444451 867325120 /nfs/dbraw/zinc/32/51/20/867325120.db2.gz ZWLWHUFIPQGDAP-OFNKIYASSA-N 2 2 383.580 3.764 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000523444451 867325126 /nfs/dbraw/zinc/32/51/26/867325126.db2.gz ZWLWHUFIPQGDAP-OFNKIYASSA-N 2 2 383.580 3.764 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000154681184 867546625 /nfs/dbraw/zinc/54/66/25/867546625.db2.gz ZJTHNLGNXQWRQQ-CQSZACIVSA-N 2 2 390.325 3.572 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000154681184 867546629 /nfs/dbraw/zinc/54/66/29/867546629.db2.gz ZJTHNLGNXQWRQQ-CQSZACIVSA-N 2 2 390.325 3.572 20 0 GHADLP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3nc(-c4ccccc4)c[nH]3)cc2)CC1 ZINC000194241293 882104246 /nfs/dbraw/zinc/10/42/46/882104246.db2.gz RXCMYDDERUYIIT-UHFFFAOYSA-N 2 2 389.547 3.504 20 0 GHADLP CN(C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097482 868163864 /nfs/dbraw/zinc/16/38/64/868163864.db2.gz SRKPGMHWYFCWPQ-FGZHOGPDSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097482 868163874 /nfs/dbraw/zinc/16/38/74/868163874.db2.gz SRKPGMHWYFCWPQ-FGZHOGPDSA-N 2 2 382.552 3.577 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000523880115 868224913 /nfs/dbraw/zinc/22/49/13/868224913.db2.gz QQDIUWGSUZDBFA-PKTZIBPZSA-N 2 2 398.595 3.571 20 0 GHADLP c1nc2cnccn2c1C[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000156953147 868511953 /nfs/dbraw/zinc/51/19/53/868511953.db2.gz YDKYPNLXNGNOOL-UHFFFAOYSA-N 2 2 385.515 3.911 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000445525696 868570035 /nfs/dbraw/zinc/57/00/35/868570035.db2.gz PUGBQHRXQFLYBF-UHFFFAOYSA-N 2 2 390.881 3.750 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000445525696 868570038 /nfs/dbraw/zinc/57/00/38/868570038.db2.gz PUGBQHRXQFLYBF-UHFFFAOYSA-N 2 2 390.881 3.750 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000479880668 868651111 /nfs/dbraw/zinc/65/11/11/868651111.db2.gz GOLOMQDUGSOPSH-OFVILXPXSA-N 2 2 393.575 3.519 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000479880668 868651120 /nfs/dbraw/zinc/65/11/20/868651120.db2.gz GOLOMQDUGSOPSH-OFVILXPXSA-N 2 2 393.575 3.519 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000479880668 868651128 /nfs/dbraw/zinc/65/11/28/868651128.db2.gz GOLOMQDUGSOPSH-OFVILXPXSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000479880668 868651138 /nfs/dbraw/zinc/65/11/38/868651138.db2.gz GOLOMQDUGSOPSH-OFVILXPXSA-N 3 2 393.575 3.519 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000133429019 882229043 /nfs/dbraw/zinc/22/90/43/882229043.db2.gz XGVWYEZWDZQXQI-YYWHXJBOSA-N 2 2 381.520 3.804 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000133429019 882229050 /nfs/dbraw/zinc/22/90/50/882229050.db2.gz XGVWYEZWDZQXQI-YYWHXJBOSA-N 2 2 381.520 3.804 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(Br)o2)C[C@H](C)O1 ZINC000190834149 882283453 /nfs/dbraw/zinc/28/34/53/882283453.db2.gz OJYMGBGOQYVVGZ-GASCZTMLSA-N 2 2 393.325 3.941 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(Br)o2)C[C@H](C)O1 ZINC000190834149 882283470 /nfs/dbraw/zinc/28/34/70/882283470.db2.gz OJYMGBGOQYVVGZ-GASCZTMLSA-N 2 2 393.325 3.941 20 0 GHADLP Cc1cccnc1[C@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)C ZINC000121934486 882322675 /nfs/dbraw/zinc/32/26/75/882322675.db2.gz WWZXFMNLGLQHIT-NZQKXSOJSA-N 2 2 394.563 3.582 20 0 GHADLP O=C(CC[NH+]1CCCCC1)Nc1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC000539855179 869902767 /nfs/dbraw/zinc/90/27/67/869902767.db2.gz OWIDXFRIXHMCNU-UHFFFAOYSA-N 2 2 377.492 3.761 20 0 GHADLP Cc1cc(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C)n1Cc1ccccc1 ZINC000745984824 869937824 /nfs/dbraw/zinc/93/78/24/869937824.db2.gz SFTXNOZWOGZVDO-UHFFFAOYSA-N 2 2 376.504 3.939 20 0 GHADLP O[C@]1(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000539949883 870061566 /nfs/dbraw/zinc/06/15/66/870061566.db2.gz FDHHTUQSMJDWSS-QHCPKHFHSA-N 2 2 399.966 3.667 20 0 GHADLP O[C@]1(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000539949883 870061573 /nfs/dbraw/zinc/06/15/73/870061573.db2.gz FDHHTUQSMJDWSS-QHCPKHFHSA-N 2 2 399.966 3.667 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)CC2)cc1 ZINC000462800104 870116098 /nfs/dbraw/zinc/11/60/98/870116098.db2.gz CFLIBGBEEJQUAO-UBFVSLLYSA-N 2 2 399.623 3.769 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)CC2)cc1 ZINC000462800103 870116148 /nfs/dbraw/zinc/11/61/48/870116148.db2.gz CFLIBGBEEJQUAO-ISJGIBHGSA-N 2 2 399.623 3.769 20 0 GHADLP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000539969393 870130465 /nfs/dbraw/zinc/13/04/65/870130465.db2.gz RTTMTGLZUWKPTB-CQSZACIVSA-N 2 2 396.432 3.842 20 0 GHADLP CC(C)c1[nH+]ccn1CCNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000746256022 870144492 /nfs/dbraw/zinc/14/44/92/870144492.db2.gz UGZSDBCDCNTEQX-UHFFFAOYSA-N 2 2 390.531 3.825 20 0 GHADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 ZINC000525245497 870213077 /nfs/dbraw/zinc/21/30/77/870213077.db2.gz QBCZXGMHRISLSI-MRXNPFEDSA-N 2 2 387.524 3.519 20 0 GHADLP Cc1cn2cc(NC(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000525236570 870228642 /nfs/dbraw/zinc/22/86/42/870228642.db2.gz QBLNZMCRJSAIMR-LJQANCHMSA-N 2 2 377.492 3.629 20 0 GHADLP Cc1cn2cc(NC(=O)N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000525236570 870228658 /nfs/dbraw/zinc/22/86/58/870228658.db2.gz QBLNZMCRJSAIMR-LJQANCHMSA-N 2 2 377.492 3.629 20 0 GHADLP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccccc2C(C)=O)CC1)CC1CC1 ZINC000540049227 870262704 /nfs/dbraw/zinc/26/27/04/870262704.db2.gz ICLFMIWSQXMCLC-UHFFFAOYSA-N 2 2 385.552 3.662 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccccc2C(C)=O)CC1)CC1CC1 ZINC000540049227 870262714 /nfs/dbraw/zinc/26/27/14/870262714.db2.gz ICLFMIWSQXMCLC-UHFFFAOYSA-N 2 2 385.552 3.662 20 0 GHADLP CN(C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C(c1ccccc1)c1ccccc1 ZINC000248168110 870306749 /nfs/dbraw/zinc/30/67/49/870306749.db2.gz UEWGZYQMGVTZMO-DHIUTWEWSA-N 2 2 391.559 3.651 20 0 GHADLP CN(C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C(c1ccccc1)c1ccccc1 ZINC000248168110 870306764 /nfs/dbraw/zinc/30/67/64/870306764.db2.gz UEWGZYQMGVTZMO-DHIUTWEWSA-N 2 2 391.559 3.651 20 0 GHADLP CN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C(c1ccccc1)c1ccccc1 ZINC000248168110 870306782 /nfs/dbraw/zinc/30/67/82/870306782.db2.gz UEWGZYQMGVTZMO-DHIUTWEWSA-N 2 2 391.559 3.651 20 0 GHADLP CN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C(c1ccccc1)c1ccccc1 ZINC000248168110 870306813 /nfs/dbraw/zinc/30/68/13/870306813.db2.gz UEWGZYQMGVTZMO-DHIUTWEWSA-N 2 2 391.559 3.651 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1Cl ZINC000248198488 870315146 /nfs/dbraw/zinc/31/51/46/870315146.db2.gz XVAGQFHBHYXBMD-ZTENYAIWSA-N 2 2 398.378 3.975 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1Cl ZINC000248198488 870315164 /nfs/dbraw/zinc/31/51/64/870315164.db2.gz XVAGQFHBHYXBMD-ZTENYAIWSA-N 2 2 398.378 3.975 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000248198488 870315186 /nfs/dbraw/zinc/31/51/86/870315186.db2.gz XVAGQFHBHYXBMD-ZTENYAIWSA-N 2 2 398.378 3.975 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000248198488 870315193 /nfs/dbraw/zinc/31/51/93/870315193.db2.gz XVAGQFHBHYXBMD-ZTENYAIWSA-N 2 2 398.378 3.975 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CCn2c3ccccc3c3ccccc32)CC1 ZINC000462904895 870347726 /nfs/dbraw/zinc/34/77/26/870347726.db2.gz HQGDBLYDQDLNTL-UHFFFAOYSA-N 2 2 393.531 3.802 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)o1 ZINC000092645173 882408917 /nfs/dbraw/zinc/40/89/17/882408917.db2.gz GYZWVQFICORGGI-UHFFFAOYSA-N 2 2 379.508 3.512 20 0 GHADLP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)o1 ZINC000092645173 882408925 /nfs/dbraw/zinc/40/89/25/882408925.db2.gz GYZWVQFICORGGI-UHFFFAOYSA-N 2 2 379.508 3.512 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@@H](c3ccsc3)C2)CC1 ZINC000538750868 870565934 /nfs/dbraw/zinc/56/59/34/870565934.db2.gz CXITYWWXJUKXSX-JOCHJYFZSA-N 2 2 385.577 3.854 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@@H](c3ccsc3)C2)CC1 ZINC000538750868 870565994 /nfs/dbraw/zinc/56/59/94/870565994.db2.gz CXITYWWXJUKXSX-JOCHJYFZSA-N 2 2 385.577 3.854 20 0 GHADLP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H](c4[nH+]ccn4C)C3)c2)CC1 ZINC000538774077 870585413 /nfs/dbraw/zinc/58/54/13/870585413.db2.gz SPMHZPQJNQTFLN-FQEVSTJZSA-N 2 2 395.551 3.716 20 0 GHADLP C[C@@H](NC(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000920874005 882429188 /nfs/dbraw/zinc/42/91/88/882429188.db2.gz FKMJWYJBPKYNNB-BWDFOLQRSA-N 2 2 381.524 3.640 20 0 GHADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1S(C)(=O)=O ZINC000446908372 870698380 /nfs/dbraw/zinc/69/83/80/870698380.db2.gz MFBINTQKOQMBEB-UZLBHIALSA-N 2 2 378.582 3.531 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000463098619 870921598 /nfs/dbraw/zinc/92/15/98/870921598.db2.gz LIUZTDVEYNIEMI-IBGZPJMESA-N 2 2 397.588 3.866 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000540302230 870946193 /nfs/dbraw/zinc/94/61/93/870946193.db2.gz MXRLWYLWQFCSSD-RTWAWAEBSA-N 2 2 375.532 3.589 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000540302230 870946207 /nfs/dbraw/zinc/94/62/07/870946207.db2.gz MXRLWYLWQFCSSD-RTWAWAEBSA-N 2 2 375.532 3.589 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000463132963 870979270 /nfs/dbraw/zinc/97/92/70/870979270.db2.gz TVMGJMBXLYVQNZ-UNWVZKJWSA-N 2 2 377.532 3.825 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000463132963 870979272 /nfs/dbraw/zinc/97/92/72/870979272.db2.gz TVMGJMBXLYVQNZ-UNWVZKJWSA-N 2 2 377.532 3.825 20 0 GHADLP CC[NH+](CC)[C@H](C[NH2+]C1CCN(c2nc(C)cs2)CC1)Cc1ccccc1 ZINC000463147962 871016630 /nfs/dbraw/zinc/01/66/30/871016630.db2.gz WDCRNBIWDCBLHF-NRFANRHFSA-N 2 2 386.609 3.963 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000429718071 871037509 /nfs/dbraw/zinc/03/75/09/871037509.db2.gz DRYGBNZJHMAUGB-MJGOQNOKSA-N 2 2 381.520 3.542 20 0 GHADLP FC(F)(F)c1cnc(NCCc2cn3ccccc3[nH+]2)c(C2=CC[NH2+]CC2)c1 ZINC001169003731 871089481 /nfs/dbraw/zinc/08/94/81/871089481.db2.gz BZSUBDGDCQCTLV-UHFFFAOYSA-N 2 2 387.409 3.779 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539085472 871232487 /nfs/dbraw/zinc/23/24/87/871232487.db2.gz OHDBLDGJIXFCTE-RMVZNSSTSA-N 2 2 386.499 3.680 20 0 GHADLP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2=O)cc1 ZINC000463249623 871266024 /nfs/dbraw/zinc/26/60/24/871266024.db2.gz WOXITVFSBBDYEX-OYDLWJJNSA-N 2 2 391.559 3.739 20 0 GHADLP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2=O)cc1 ZINC000463249623 871266037 /nfs/dbraw/zinc/26/60/37/871266037.db2.gz WOXITVFSBBDYEX-OYDLWJJNSA-N 2 2 391.559 3.739 20 0 GHADLP Cc1ccc([C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C2CC2)cc1 ZINC000091308493 871272925 /nfs/dbraw/zinc/27/29/25/871272925.db2.gz SFTQIYALUHJTLP-DEOSSOPVSA-N 2 2 380.532 3.947 20 0 GHADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000462002793 871428394 /nfs/dbraw/zinc/42/83/94/871428394.db2.gz NDFDSRHKWBWQML-UIFIKXQLSA-N 2 2 383.540 3.531 20 0 GHADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000462002793 871428407 /nfs/dbraw/zinc/42/84/07/871428407.db2.gz NDFDSRHKWBWQML-UIFIKXQLSA-N 2 2 383.540 3.531 20 0 GHADLP COC(=[NH2+])c1cccc(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1 ZINC001169516089 871585437 /nfs/dbraw/zinc/58/54/37/871585437.db2.gz BUEVHJZLUNTEMM-QUCCMNQESA-N 2 2 381.476 3.529 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000462174104 871766330 /nfs/dbraw/zinc/76/63/30/871766330.db2.gz FVIWLAFGIHLRSY-AEFFLSMTSA-N 2 2 380.602 3.503 20 0 GHADLP Cc1cc(Br)cc2cc([C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)C)oc21 ZINC000540645686 871831276 /nfs/dbraw/zinc/83/12/76/871831276.db2.gz FGPVAQCXHOJLEE-RDJZCZTQSA-N 2 2 383.330 3.713 20 0 GHADLP O=C(Nc1ccccc1)C1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000447598984 871912389 /nfs/dbraw/zinc/91/23/89/871912389.db2.gz JHPQLBAXJMOESE-KOUNCHBCSA-N 2 2 375.516 3.943 20 0 GHADLP O=C(Nc1ccccc1)C1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000447598984 871912405 /nfs/dbraw/zinc/91/24/05/871912405.db2.gz JHPQLBAXJMOESE-KOUNCHBCSA-N 2 2 375.516 3.943 20 0 GHADLP FC(F)(F)c1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC4(C3)OCCO4)CC2)cc1 ZINC001169906781 872000414 /nfs/dbraw/zinc/00/04/14/872000414.db2.gz WRUZWAIFKCPOQS-IBGZPJMESA-N 2 2 398.469 3.945 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000429719781 872007294 /nfs/dbraw/zinc/00/72/94/872007294.db2.gz UWVNJZNOWIUAAJ-QGZVFWFLSA-N 2 2 385.483 3.592 20 0 GHADLP COc1cc(OC)c(OC)cc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336889 872092185 /nfs/dbraw/zinc/09/21/85/872092185.db2.gz VHBYTDZWBXORCN-IBGZPJMESA-N 2 2 384.520 3.666 20 0 GHADLP COc1cc(OC)c(OC)cc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336889 872092206 /nfs/dbraw/zinc/09/22/06/872092206.db2.gz VHBYTDZWBXORCN-IBGZPJMESA-N 2 2 384.520 3.666 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336889 872092226 /nfs/dbraw/zinc/09/22/26/872092226.db2.gz VHBYTDZWBXORCN-IBGZPJMESA-N 2 2 384.520 3.666 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336889 872092248 /nfs/dbraw/zinc/09/22/48/872092248.db2.gz VHBYTDZWBXORCN-IBGZPJMESA-N 2 2 384.520 3.666 20 0 GHADLP CC[N@@H+](Cc1c(OC)cc(OC)cc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564698 872273486 /nfs/dbraw/zinc/27/34/86/872273486.db2.gz QTJROLRZDYPBFS-UHFFFAOYSA-N 2 2 399.535 3.846 20 0 GHADLP CC[N@H+](Cc1c(OC)cc(OC)cc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564698 872273506 /nfs/dbraw/zinc/27/35/06/872273506.db2.gz QTJROLRZDYPBFS-UHFFFAOYSA-N 2 2 399.535 3.846 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C)c1ccccc1 ZINC000122534814 882599904 /nfs/dbraw/zinc/59/99/04/882599904.db2.gz GODSICRLLOXPNW-HSZRJFAPSA-N 2 2 395.547 3.849 20 0 GHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000093770023 872409364 /nfs/dbraw/zinc/40/93/64/872409364.db2.gz KRGQRNVMHPYKFJ-INIZCTEOSA-N 2 2 391.357 3.717 20 0 GHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000093770023 872409366 /nfs/dbraw/zinc/40/93/66/872409366.db2.gz KRGQRNVMHPYKFJ-INIZCTEOSA-N 2 2 391.357 3.717 20 0 GHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000093770023 872409374 /nfs/dbraw/zinc/40/93/74/872409374.db2.gz KRGQRNVMHPYKFJ-INIZCTEOSA-N 2 2 391.357 3.717 20 0 GHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000093770023 872409383 /nfs/dbraw/zinc/40/93/83/872409383.db2.gz KRGQRNVMHPYKFJ-INIZCTEOSA-N 2 2 391.357 3.717 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1cccc(Br)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540917332 872500070 /nfs/dbraw/zinc/50/00/70/872500070.db2.gz IDRBNGBZKMUVFT-AWEZNQCLSA-N 2 2 399.292 3.924 20 0 GHADLP C[C@H]([NH2+][C@H]1CCc2ccc(Cl)nc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000857904073 882628254 /nfs/dbraw/zinc/62/82/54/882628254.db2.gz AGEXUPIZKMKZAN-KSSFIOAISA-N 2 2 388.918 3.964 20 0 GHADLP Cc1c([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)nnn1-c1cccc(Cl)c1 ZINC000152734721 872816426 /nfs/dbraw/zinc/81/64/26/872816426.db2.gz WWDDEWOUGIXMKX-CQSZACIVSA-N 2 2 384.915 3.655 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc3ccn(CC[NH+](C)C)c3c1)C2 ZINC000527248134 872866235 /nfs/dbraw/zinc/86/62/35/872866235.db2.gz FWGFAVSAMAWVIP-KRWDZBQOSA-N 2 2 393.535 3.793 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc3ccn(CC[NH+](C)C)c3c1)CC2 ZINC000527248134 872866248 /nfs/dbraw/zinc/86/62/48/872866248.db2.gz FWGFAVSAMAWVIP-KRWDZBQOSA-N 2 2 393.535 3.793 20 0 GHADLP CCCCCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H](C)CCC ZINC000176289558 882674227 /nfs/dbraw/zinc/67/42/27/882674227.db2.gz QUDPPMFOASFBEL-LJQANCHMSA-N 2 2 380.621 3.935 20 0 GHADLP O[C@H](COc1ccc2ccccc2c1)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541203205 873127823 /nfs/dbraw/zinc/12/78/23/873127823.db2.gz WJVITKUKLUOHFG-QHCPKHFHSA-N 2 2 393.531 3.968 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3ncc4cccc(OCc5ccccc5)c43)CC[C@H]21 ZINC000768495283 873353834 /nfs/dbraw/zinc/35/38/34/873353834.db2.gz PFIPGZMDTZXYSG-FCHUYYIVSA-N 2 2 390.531 3.989 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3ncc4cccc(OCc5ccccc5)c43)CC[C@H]21 ZINC000768495283 873353843 /nfs/dbraw/zinc/35/38/43/873353843.db2.gz PFIPGZMDTZXYSG-FCHUYYIVSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3ncc4cccc(OCc5ccccc5)c43)CC[C@H]21 ZINC000768495283 873353859 /nfs/dbraw/zinc/35/38/59/873353859.db2.gz PFIPGZMDTZXYSG-FCHUYYIVSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3ncc4cccc(OCc5ccccc5)c43)CC[C@H]21 ZINC000768495283 873353869 /nfs/dbraw/zinc/35/38/69/873353869.db2.gz PFIPGZMDTZXYSG-FCHUYYIVSA-N 2 2 390.531 3.989 20 0 GHADLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2[C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC001196936063 873488241 /nfs/dbraw/zinc/48/82/41/873488241.db2.gz OZKYVZGPRVQNLB-RBBKRZOGSA-N 2 2 387.543 3.908 20 0 GHADLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2[C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC001196936063 873488249 /nfs/dbraw/zinc/48/82/49/873488249.db2.gz OZKYVZGPRVQNLB-RBBKRZOGSA-N 2 2 387.543 3.908 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C2CC2)cn1 ZINC000527843205 873666541 /nfs/dbraw/zinc/66/65/41/873666541.db2.gz SHKREGWCNWOLNM-HSZRJFAPSA-N 2 2 383.511 3.977 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3c(C)cc(Br)cn23)C[C@@H]1C ZINC000541535009 873822038 /nfs/dbraw/zinc/82/20/38/873822038.db2.gz KIBJEZGTMMDVCC-HOCLYGCPSA-N 2 2 379.346 3.710 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3c(C)cc(Br)cn23)C[C@@H]1C ZINC000541535009 873822045 /nfs/dbraw/zinc/82/20/45/873822045.db2.gz KIBJEZGTMMDVCC-HOCLYGCPSA-N 2 2 379.346 3.710 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc3c(C)cc(Br)cn23)C[C@@H]1C ZINC000541535009 873822056 /nfs/dbraw/zinc/82/20/56/873822056.db2.gz KIBJEZGTMMDVCC-HOCLYGCPSA-N 2 2 379.346 3.710 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc3c(C)cc(Br)cn23)C[C@@H]1C ZINC000541535009 873822062 /nfs/dbraw/zinc/82/20/62/873822062.db2.gz KIBJEZGTMMDVCC-HOCLYGCPSA-N 2 2 379.346 3.710 20 0 GHADLP CCC(CC)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCCC1 ZINC000921244010 882767823 /nfs/dbraw/zinc/76/78/23/882767823.db2.gz OIHWPHWJOHMLIX-NRFANRHFSA-N 2 2 383.540 3.572 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3occc3Br)[nH+]c2)CC1 ZINC000769409022 874028752 /nfs/dbraw/zinc/02/87/52/874028752.db2.gz AKDJFUPSVSBJOS-UHFFFAOYSA-N 2 2 379.302 3.580 20 0 GHADLP CCCc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)sc1C ZINC000460486446 882792946 /nfs/dbraw/zinc/79/29/46/882792946.db2.gz CRDPRDRQZNCZDU-UHFFFAOYSA-N 2 2 377.598 3.689 20 0 GHADLP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000476661026 882809628 /nfs/dbraw/zinc/80/96/28/882809628.db2.gz CNCXYOWEVMXAHD-LJQANCHMSA-N 2 2 388.600 3.999 20 0 GHADLP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000476661026 882809638 /nfs/dbraw/zinc/80/96/38/882809638.db2.gz CNCXYOWEVMXAHD-LJQANCHMSA-N 2 2 388.600 3.999 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc(CCc2ccccc2)s1 ZINC000449052245 874424959 /nfs/dbraw/zinc/42/49/59/874424959.db2.gz YUGJWDOTUPZEAM-GIVPXCGWSA-N 2 2 385.577 3.612 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cnc(CCc2ccccc2)s1 ZINC000449052245 874424964 /nfs/dbraw/zinc/42/49/64/874424964.db2.gz YUGJWDOTUPZEAM-GIVPXCGWSA-N 2 2 385.577 3.612 20 0 GHADLP Fc1cc(Br)cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000449090517 874488149 /nfs/dbraw/zinc/48/81/49/874488149.db2.gz NNHALVOOJQIZFB-UHFFFAOYSA-N 2 2 393.300 3.710 20 0 GHADLP CSC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000541913267 874514288 /nfs/dbraw/zinc/51/42/88/874514288.db2.gz DNSCQSIQVXYFTE-QZTJIDSGSA-N 2 2 390.515 3.792 20 0 GHADLP CCN(C(=O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000464804965 874516789 /nfs/dbraw/zinc/51/67/89/874516789.db2.gz KKARXCQARFVDNI-UHFFFAOYSA-N 2 2 386.584 3.801 20 0 GHADLP CCN(C(=O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000464804965 874516801 /nfs/dbraw/zinc/51/68/01/874516801.db2.gz KKARXCQARFVDNI-UHFFFAOYSA-N 2 2 386.584 3.801 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cc(=O)oc3cc(O)ccc23)C1 ZINC001198790405 874611619 /nfs/dbraw/zinc/61/16/19/874611619.db2.gz GRGSUEHLZYNSJT-HNNXBMFYSA-N 2 2 381.476 3.830 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cc(=O)oc3cc(O)ccc23)C1 ZINC001198790405 874611623 /nfs/dbraw/zinc/61/16/23/874611623.db2.gz GRGSUEHLZYNSJT-HNNXBMFYSA-N 2 2 381.476 3.830 20 0 GHADLP C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841543 874615592 /nfs/dbraw/zinc/61/55/92/874615592.db2.gz YJEIQKQVYVOFAQ-XPWALMASSA-N 2 2 383.580 3.622 20 0 GHADLP C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841543 874615597 /nfs/dbraw/zinc/61/55/97/874615597.db2.gz YJEIQKQVYVOFAQ-XPWALMASSA-N 2 2 383.580 3.622 20 0 GHADLP C[NH+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841543 874615610 /nfs/dbraw/zinc/61/56/10/874615610.db2.gz YJEIQKQVYVOFAQ-XPWALMASSA-N 2 2 383.580 3.622 20 0 GHADLP C[NH+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841543 874615616 /nfs/dbraw/zinc/61/56/16/874615616.db2.gz YJEIQKQVYVOFAQ-XPWALMASSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)CC1 ZINC000449242654 874647874 /nfs/dbraw/zinc/64/78/74/874647874.db2.gz YGQQZZHHYABLNH-HTAPYJJXSA-N 2 2 399.966 3.942 20 0 GHADLP Cn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c(Br)n1 ZINC000858134408 882870607 /nfs/dbraw/zinc/87/06/07/882870607.db2.gz BQMGJJXIESWUFH-UHFFFAOYSA-N 2 2 391.357 3.848 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]CCCc3ccc(C)nc3)CC2)cc1 ZINC000449520039 874992278 /nfs/dbraw/zinc/99/22/78/874992278.db2.gz CWUSQUIDQFHQLP-UHFFFAOYSA-N 2 2 380.536 3.535 20 0 GHADLP Cc1cc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c(Br)cc1F ZINC000858148352 882885183 /nfs/dbraw/zinc/88/51/83/882885183.db2.gz UCFWLMKLIAPYOT-UHFFFAOYSA-N 2 2 387.337 3.876 20 0 GHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000542133168 875030684 /nfs/dbraw/zinc/03/06/84/875030684.db2.gz GAGNWCJJPNOEEH-RTBURBONSA-N 2 2 377.532 3.733 20 0 GHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1Cc2ccccc2[C@H]1C ZINC000542133168 875030695 /nfs/dbraw/zinc/03/06/95/875030695.db2.gz GAGNWCJJPNOEEH-RTBURBONSA-N 2 2 377.532 3.733 20 0 GHADLP CN(C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771769494 875474921 /nfs/dbraw/zinc/47/49/21/875474921.db2.gz SIXCDKKOZLGAQL-GIVPXCGWSA-N 2 2 392.632 3.649 20 0 GHADLP CN(C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771769494 875474927 /nfs/dbraw/zinc/47/49/27/875474927.db2.gz SIXCDKKOZLGAQL-GIVPXCGWSA-N 2 2 392.632 3.649 20 0 GHADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC001201415983 875679302 /nfs/dbraw/zinc/67/93/02/875679302.db2.gz ITFCCPKVLYDAPN-IRXDYDNUSA-N 2 2 387.749 3.570 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000786834115 876952048 /nfs/dbraw/zinc/95/20/48/876952048.db2.gz JULXWYSEBQTKKN-JOCHJYFZSA-N 2 2 389.499 3.764 20 0 GHADLP CCN(CC)C(=O)[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193069955 883086652 /nfs/dbraw/zinc/08/66/52/883086652.db2.gz UNEZMICCGCIVEM-GGAORHGYSA-N 2 2 379.548 3.708 20 0 GHADLP CCN(CC)C(=O)[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193069955 883086665 /nfs/dbraw/zinc/08/66/65/883086665.db2.gz UNEZMICCGCIVEM-GGAORHGYSA-N 2 2 379.548 3.708 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000850554771 877021465 /nfs/dbraw/zinc/02/14/65/877021465.db2.gz DPPZFJVVPMJQBF-UAOJZALGSA-N 2 2 394.346 3.922 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000850554771 877021481 /nfs/dbraw/zinc/02/14/81/877021481.db2.gz DPPZFJVVPMJQBF-UAOJZALGSA-N 2 2 394.346 3.922 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000136425877 877205554 /nfs/dbraw/zinc/20/55/54/877205554.db2.gz JUBCUKLLQOXPNE-JXFKEZNVSA-N 2 2 388.353 3.887 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000136425877 877205566 /nfs/dbraw/zinc/20/55/66/877205566.db2.gz JUBCUKLLQOXPNE-JXFKEZNVSA-N 2 2 388.353 3.887 20 0 GHADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134925673 883113109 /nfs/dbraw/zinc/11/31/09/883113109.db2.gz CLBCALMNTQMZHJ-BVYCBKJFSA-N 2 2 399.579 3.601 20 0 GHADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134925673 883113116 /nfs/dbraw/zinc/11/31/16/883113116.db2.gz CLBCALMNTQMZHJ-BVYCBKJFSA-N 2 2 399.579 3.601 20 0 GHADLP CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134925673 883113124 /nfs/dbraw/zinc/11/31/24/883113124.db2.gz CLBCALMNTQMZHJ-BVYCBKJFSA-N 2 2 399.579 3.601 20 0 GHADLP CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134925673 883113132 /nfs/dbraw/zinc/11/31/32/883113132.db2.gz CLBCALMNTQMZHJ-BVYCBKJFSA-N 2 2 399.579 3.601 20 0 GHADLP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(F)c(Br)c1 ZINC000530237199 877341515 /nfs/dbraw/zinc/34/15/15/877341515.db2.gz VEGKKYIUZZAVKM-CRAIPNDOSA-N 2 2 385.321 3.618 20 0 GHADLP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(F)c(Br)c1 ZINC000530237199 877341532 /nfs/dbraw/zinc/34/15/32/877341532.db2.gz VEGKKYIUZZAVKM-CRAIPNDOSA-N 2 2 385.321 3.618 20 0 GHADLP Brc1cccc(-c2c[nH]c(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)n2)c1 ZINC000666995689 877395062 /nfs/dbraw/zinc/39/50/62/877395062.db2.gz WMBARAYLXLTLCK-OAHLLOKOSA-N 2 2 375.314 3.604 20 0 GHADLP Cc1ccc2nc(C[NH2+]Cc3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)cn2c1 ZINC000551573757 877461865 /nfs/dbraw/zinc/46/18/65/877461865.db2.gz BPNFANHXPTXLFV-KDURUIRLSA-N 2 2 378.520 3.542 20 0 GHADLP Cc1ccc2nc(C[NH2+]Cc3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)cn2c1 ZINC000551573757 877461879 /nfs/dbraw/zinc/46/18/79/877461879.db2.gz BPNFANHXPTXLFV-KDURUIRLSA-N 2 2 378.520 3.542 20 0 GHADLP COc1ccc([C@@H]2CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699844 877668019 /nfs/dbraw/zinc/66/80/19/877668019.db2.gz MSVYRZACCYRPAP-ISKFKSNPSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccc([C@@H]2CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699844 877668029 /nfs/dbraw/zinc/66/80/29/877668029.db2.gz MSVYRZACCYRPAP-ISKFKSNPSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccc([C@@H]2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699844 877668033 /nfs/dbraw/zinc/66/80/33/877668033.db2.gz MSVYRZACCYRPAP-ISKFKSNPSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccc([C@@H]2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699844 877668044 /nfs/dbraw/zinc/66/80/44/877668044.db2.gz MSVYRZACCYRPAP-ISKFKSNPSA-N 2 2 380.532 3.776 20 0 GHADLP C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1cccc(Cn3cc[nH+]c3)c1)CC2 ZINC000615439305 877735709 /nfs/dbraw/zinc/73/57/09/877735709.db2.gz AKMATHSRUPBQJF-UHFFFAOYSA-N 2 2 380.536 3.658 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@@H]1c1ccccc1 ZINC000530519760 877970971 /nfs/dbraw/zinc/97/09/71/877970971.db2.gz BFIGYCRUJUEVDS-MOPGFXCFSA-N 2 2 399.564 3.696 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@@H]1c1ccccc1 ZINC000530519760 877971000 /nfs/dbraw/zinc/97/10/00/877971000.db2.gz BFIGYCRUJUEVDS-MOPGFXCFSA-N 2 2 399.564 3.696 20 0 GHADLP C[C@H]1C(=O)N(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)[C@H]1c1ccccc1 ZINC000788381683 878046082 /nfs/dbraw/zinc/04/60/82/878046082.db2.gz GQUPQDUDNAATBC-DYESRHJHSA-N 2 2 378.520 3.576 20 0 GHADLP Cc1ccc([C@H]2CC(=O)N(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)C2)cc1 ZINC000788383347 878046526 /nfs/dbraw/zinc/04/65/26/878046526.db2.gz WTTQMDHNWPWRAM-NRFANRHFSA-N 2 2 392.547 3.681 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000451525611 878088409 /nfs/dbraw/zinc/08/84/09/878088409.db2.gz GKODTEALKLUIKB-AVRDEDQJSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000451525611 878088430 /nfs/dbraw/zinc/08/84/30/878088430.db2.gz GKODTEALKLUIKB-AVRDEDQJSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000451525611 878088450 /nfs/dbraw/zinc/08/84/50/878088450.db2.gz GKODTEALKLUIKB-AVRDEDQJSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000451525611 878088471 /nfs/dbraw/zinc/08/84/71/878088471.db2.gz GKODTEALKLUIKB-AVRDEDQJSA-N 2 2 389.971 3.594 20 0 GHADLP CN1CCO[C@@H]([C@@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccc(Cl)cc2)C1 ZINC000245551715 878095922 /nfs/dbraw/zinc/09/59/22/878095922.db2.gz BSPREDMWZVNDKE-CTNGQTDRSA-N 2 2 388.943 3.589 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(CC([NH2+]C[C@H](c3ccccc3)[NH+]3CCCC3)C2)C1 ZINC000788499506 878107209 /nfs/dbraw/zinc/10/72/09/878107209.db2.gz VCJOTCCNTLIFCW-HXUWFJFHSA-N 2 2 385.552 3.813 20 0 GHADLP CN(C(=O)Nc1c(F)cccc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245604689 878188274 /nfs/dbraw/zinc/18/82/74/878188274.db2.gz XWMOVGURODGIMS-RBUKOAKNSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1c(F)cccc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245604689 878188283 /nfs/dbraw/zinc/18/82/83/878188283.db2.gz XWMOVGURODGIMS-RBUKOAKNSA-N 2 2 394.510 3.766 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC4(C3)CCCCCC4)CC2)CC1 ZINC000176381490 878238337 /nfs/dbraw/zinc/23/83/37/878238337.db2.gz RAIAPVJLGPNSIE-UHFFFAOYSA-N 2 2 390.616 3.691 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000537776696 878313259 /nfs/dbraw/zinc/31/32/59/878313259.db2.gz JTOQZAHBJSVOMU-IBGZPJMESA-N 3 2 393.019 3.549 20 0 GHADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000537776696 878313272 /nfs/dbraw/zinc/31/32/72/878313272.db2.gz JTOQZAHBJSVOMU-IBGZPJMESA-N 3 2 393.019 3.549 20 0 GHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245691394 878396362 /nfs/dbraw/zinc/39/63/62/878396362.db2.gz QJRHSNCZUNLDSD-CLCXKQKWSA-N 2 2 392.906 3.606 20 0 GHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245691394 878396378 /nfs/dbraw/zinc/39/63/78/878396378.db2.gz QJRHSNCZUNLDSD-CLCXKQKWSA-N 2 2 392.906 3.606 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@H]3Cc3ccccn3)C2)cc1 ZINC000852563455 878425960 /nfs/dbraw/zinc/42/59/60/878425960.db2.gz APQLABATFYSULN-QPTUXGOLSA-N 2 2 379.548 3.674 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@H]3Cc3ccccn3)C2)cc1 ZINC000852563455 878425966 /nfs/dbraw/zinc/42/59/66/878425966.db2.gz APQLABATFYSULN-QPTUXGOLSA-N 2 2 379.548 3.674 20 0 GHADLP O=C(C[N@H+]1CCCC[C@H]1c1ccc(Cl)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000451735769 878434812 /nfs/dbraw/zinc/43/48/12/878434812.db2.gz MUZCJTXEHWUUML-FQEVSTJZSA-N 2 2 375.944 3.610 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@H]1c1ccc(Cl)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000451735769 878434826 /nfs/dbraw/zinc/43/48/26/878434826.db2.gz MUZCJTXEHWUUML-FQEVSTJZSA-N 2 2 375.944 3.610 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000285580231 912348433 /nfs/dbraw/zinc/34/84/33/912348433.db2.gz HEVWZLJXTGUORS-BUYPBNIOSA-N 2 2 377.960 3.505 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000285580231 912348451 /nfs/dbraw/zinc/34/84/51/912348451.db2.gz HEVWZLJXTGUORS-BUYPBNIOSA-N 2 2 377.960 3.505 20 0 GHADLP CCC(CC)[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[NH+]1CCOCC1 ZINC000460725870 878460574 /nfs/dbraw/zinc/46/05/74/878460574.db2.gz QVYJYGOLUDEWEK-JOCHJYFZSA-N 2 2 387.568 3.748 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001183238995 912352515 /nfs/dbraw/zinc/35/25/15/912352515.db2.gz RCRMWRQZYGAEOD-RDTXWAMCSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001183238995 912352524 /nfs/dbraw/zinc/35/25/24/912352524.db2.gz RCRMWRQZYGAEOD-RDTXWAMCSA-N 2 2 394.357 3.773 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)c1 ZINC000537952056 878576710 /nfs/dbraw/zinc/57/67/10/878576710.db2.gz OJBJMCICLGYICQ-AVRDEDQJSA-N 2 2 397.544 3.996 20 0 GHADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000177260054 878622644 /nfs/dbraw/zinc/62/26/44/878622644.db2.gz XFSAUFBYSUAXBS-QHCPKHFHSA-N 2 2 390.506 3.852 20 0 GHADLP CC(C)[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000538060828 878782901 /nfs/dbraw/zinc/78/29/01/878782901.db2.gz XBTCNACLBWKRBJ-QFIPXVFZSA-N 2 2 395.503 3.853 20 0 GHADLP Cc1cc2oc(=O)cc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c2cc1C(C)C ZINC000853078942 878797196 /nfs/dbraw/zinc/79/71/96/878797196.db2.gz WCEQSGSSGHEFDQ-IBGZPJMESA-N 2 2 384.520 3.568 20 0 GHADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000054382573 878801247 /nfs/dbraw/zinc/80/12/47/878801247.db2.gz FXGRPECSAQDYCI-MRXNPFEDSA-N 2 2 393.601 3.761 20 0 GHADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000054382573 878801255 /nfs/dbraw/zinc/80/12/55/878801255.db2.gz FXGRPECSAQDYCI-MRXNPFEDSA-N 2 2 393.601 3.761 20 0 GHADLP CCOC(=O)c1sc2cccc(F)c2c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000538118963 878840446 /nfs/dbraw/zinc/84/04/46/878840446.db2.gz QJUXDWJHLKKEKA-UHFFFAOYSA-N 2 2 375.469 3.936 20 0 GHADLP CCOC(=O)c1sc2cccc(F)c2c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000538118963 878840455 /nfs/dbraw/zinc/84/04/55/878840455.db2.gz QJUXDWJHLKKEKA-UHFFFAOYSA-N 2 2 375.469 3.936 20 0 GHADLP Brc1cccc(CC2C[NH+](Cc3ccnn3-c3cc[nH+]cc3)C2)c1 ZINC001183345703 912462020 /nfs/dbraw/zinc/46/20/20/912462020.db2.gz ORTDXARZYVIDPK-UHFFFAOYSA-N 2 2 383.293 3.704 20 0 GHADLP CC1(C)CC[C@H]2C[C@@H]([NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)c3cccc1c32 ZINC000538458068 879530561 /nfs/dbraw/zinc/53/05/61/879530561.db2.gz VVYWHIVXMIMMAG-WMZHIEFXSA-N 2 2 397.607 3.673 20 0 GHADLP COc1cc(C[NH2+]C[C@@]2([NH+](C)C)CCSC2)c(-c2ccccc2)cc1OC ZINC000531360348 879697431 /nfs/dbraw/zinc/69/74/31/879697431.db2.gz RQGGLBAZEYSVPH-QFIPXVFZSA-N 2 2 386.561 3.898 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)cc1 ZINC000493953028 879768522 /nfs/dbraw/zinc/76/85/22/879768522.db2.gz QALJDLYZXCRKHJ-TZRRMPRUSA-N 2 2 397.607 3.522 20 0 GHADLP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246923813 879852112 /nfs/dbraw/zinc/85/21/12/879852112.db2.gz GECDNFDOQCZEQL-NFBKMPQASA-N 2 2 397.563 3.806 20 0 GHADLP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246923813 879852129 /nfs/dbraw/zinc/85/21/29/879852129.db2.gz GECDNFDOQCZEQL-NFBKMPQASA-N 2 2 397.563 3.806 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCC1 ZINC000452709801 879938083 /nfs/dbraw/zinc/93/80/83/879938083.db2.gz ANMMUWNVPJWVNW-UHFFFAOYSA-N 2 2 388.515 3.716 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCC1 ZINC000452709801 879938089 /nfs/dbraw/zinc/93/80/89/879938089.db2.gz ANMMUWNVPJWVNW-UHFFFAOYSA-N 2 2 388.515 3.716 20 0 GHADLP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)sc1Br ZINC000531697939 880323797 /nfs/dbraw/zinc/32/37/97/880323797.db2.gz VALCMBOKTRTVAG-SFHVURJKSA-N 2 2 395.366 3.546 20 0 GHADLP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)sc1Br ZINC000531697939 880323801 /nfs/dbraw/zinc/32/38/01/880323801.db2.gz VALCMBOKTRTVAG-SFHVURJKSA-N 2 2 395.366 3.546 20 0 GHADLP Cc1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)sc1Br ZINC000531697938 880324077 /nfs/dbraw/zinc/32/40/77/880324077.db2.gz VALCMBOKTRTVAG-GOSISDBHSA-N 2 2 395.366 3.546 20 0 GHADLP Cc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)sc1Br ZINC000531697938 880324088 /nfs/dbraw/zinc/32/40/88/880324088.db2.gz VALCMBOKTRTVAG-GOSISDBHSA-N 2 2 395.366 3.546 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000453304255 880768134 /nfs/dbraw/zinc/76/81/34/880768134.db2.gz ONPZKOFGNWKLQS-ZJSXRUAMSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000453304255 880768143 /nfs/dbraw/zinc/76/81/43/880768143.db2.gz ONPZKOFGNWKLQS-ZJSXRUAMSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000453304255 880768146 /nfs/dbraw/zinc/76/81/46/880768146.db2.gz ONPZKOFGNWKLQS-ZJSXRUAMSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000453304255 880768157 /nfs/dbraw/zinc/76/81/57/880768157.db2.gz ONPZKOFGNWKLQS-ZJSXRUAMSA-N 2 2 392.591 3.936 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000453318747 880789032 /nfs/dbraw/zinc/78/90/32/880789032.db2.gz BXLISTAJMNXMTH-MRXNPFEDSA-N 2 2 395.503 3.689 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000429529377 880972019 /nfs/dbraw/zinc/97/20/19/880972019.db2.gz RGVWKAUXYBWRHG-PKTZIBPZSA-N 2 2 397.538 3.642 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000429529377 880972026 /nfs/dbraw/zinc/97/20/26/880972026.db2.gz RGVWKAUXYBWRHG-PKTZIBPZSA-N 2 2 397.538 3.642 20 0 GHADLP CN(C)c1ccc(NC(=O)CC[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000792260143 881022909 /nfs/dbraw/zinc/02/29/09/881022909.db2.gz MZOZQRFYJUUJFK-UHFFFAOYSA-N 2 2 382.552 3.581 20 0 GHADLP CN(C)c1ccc(NC(=O)CC[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000792260143 881022926 /nfs/dbraw/zinc/02/29/26/881022926.db2.gz MZOZQRFYJUUJFK-UHFFFAOYSA-N 2 2 382.552 3.581 20 0 GHADLP COc1ccc2c(C[N@H+](C)C3CC[NH+](Cc4ccccc4)CC3)cc(=O)oc2c1 ZINC000114200496 881206137 /nfs/dbraw/zinc/20/61/37/881206137.db2.gz GYKZDEKNIUVYPY-UHFFFAOYSA-N 2 2 392.499 3.898 20 0 GHADLP COc1ccc2c(C[N@@H+](C)C3CC[NH+](Cc4ccccc4)CC3)cc(=O)oc2c1 ZINC000114200496 881206154 /nfs/dbraw/zinc/20/61/54/881206154.db2.gz GYKZDEKNIUVYPY-UHFFFAOYSA-N 2 2 392.499 3.898 20 0 GHADLP C[C@@H](Cc1ccccc1Cl)[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001170271336 881286281 /nfs/dbraw/zinc/28/62/81/881286281.db2.gz ASEAIOCHDJMFMT-KRWDZBQOSA-N 2 2 391.987 3.536 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000476817727 883207881 /nfs/dbraw/zinc/20/78/81/883207881.db2.gz NECIWVIQYJTLAD-UHFFFAOYSA-N 2 2 392.494 3.784 20 0 GHADLP COC(=O)CCC[C@@H]1CCC[C@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)C1 ZINC000551141466 883375989 /nfs/dbraw/zinc/37/59/89/883375989.db2.gz GUXXTKCYOVAOAF-CMKODMSKSA-N 2 2 388.556 3.536 20 0 GHADLP CCn1ccnc1[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CCOCC1 ZINC000551178397 883432823 /nfs/dbraw/zinc/43/28/23/883432823.db2.gz YLXJCKHZJLTKAV-BHIFYINESA-N 2 2 382.552 3.796 20 0 GHADLP CCn1ccnc1[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CCOCC1 ZINC000551178397 883432826 /nfs/dbraw/zinc/43/28/26/883432826.db2.gz YLXJCKHZJLTKAV-BHIFYINESA-N 2 2 382.552 3.796 20 0 GHADLP c1cc(C2CCCCC2)ccc1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000551196374 883472526 /nfs/dbraw/zinc/47/25/26/883472526.db2.gz RNDKCEIIMMRXLM-UHFFFAOYSA-N 2 2 385.596 3.621 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000551263757 883571849 /nfs/dbraw/zinc/57/18/49/883571849.db2.gz DOCPVDIGHIYYJV-HNAYVOBHSA-N 2 2 378.442 3.538 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000551263757 883571861 /nfs/dbraw/zinc/57/18/61/883571861.db2.gz DOCPVDIGHIYYJV-HNAYVOBHSA-N 2 2 378.442 3.538 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@H](C)Cc3cccc(F)c3)CC2)cc1 ZINC001168469941 883740654 /nfs/dbraw/zinc/74/06/54/883740654.db2.gz VTJXQBFMFDOVKV-QGZVFWFLSA-N 2 2 384.495 3.798 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000729603131 883756237 /nfs/dbraw/zinc/75/62/37/883756237.db2.gz GPVFOTKUQWQMGQ-ICSRJNTNSA-N 2 2 380.621 3.506 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000729603131 883756243 /nfs/dbraw/zinc/75/62/43/883756243.db2.gz GPVFOTKUQWQMGQ-ICSRJNTNSA-N 2 2 380.621 3.506 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)C2 ZINC000475788793 883824858 /nfs/dbraw/zinc/82/48/58/883824858.db2.gz CDDFYYKHTHFHSM-MOPGFXCFSA-N 2 2 386.584 3.799 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C2 ZINC000475788793 883824869 /nfs/dbraw/zinc/82/48/69/883824869.db2.gz CDDFYYKHTHFHSM-MOPGFXCFSA-N 2 2 386.584 3.799 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)CC2 ZINC000475788793 883824884 /nfs/dbraw/zinc/82/48/84/883824884.db2.gz CDDFYYKHTHFHSM-MOPGFXCFSA-N 2 2 386.584 3.799 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)CC2 ZINC000475788793 883824900 /nfs/dbraw/zinc/82/49/00/883824900.db2.gz CDDFYYKHTHFHSM-MOPGFXCFSA-N 2 2 386.584 3.799 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](C[C@H]3CCOC3)c3ccc(F)cc3)[nH+]c2)C1 ZINC000494831002 884031585 /nfs/dbraw/zinc/03/15/85/884031585.db2.gz WOQTUSMGTWGRMC-YHYVQYDKSA-N 2 2 398.526 3.941 20 0 GHADLP C[C@@H]1CCc2nc(CNc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)sc2C1 ZINC000498352199 884113998 /nfs/dbraw/zinc/11/39/98/884113998.db2.gz GCWFPFSPEIVRJC-OAHLLOKOSA-N 2 2 385.581 3.805 20 0 GHADLP Brc1ccccc1-c1noc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)n1 ZINC000190786103 884123149 /nfs/dbraw/zinc/12/31/49/884123149.db2.gz BEQUJOSXGWREIK-OAHLLOKOSA-N 2 2 388.269 3.533 20 0 GHADLP Brc1ccccc1-c1noc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2)n1 ZINC000190786103 884123164 /nfs/dbraw/zinc/12/31/64/884123164.db2.gz BEQUJOSXGWREIK-OAHLLOKOSA-N 2 2 388.269 3.533 20 0 GHADLP O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495007144 884363803 /nfs/dbraw/zinc/36/38/03/884363803.db2.gz ULPCZTFRAJKWTJ-NHCUHLMSSA-N 2 2 377.488 3.696 20 0 GHADLP O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495007144 884363825 /nfs/dbraw/zinc/36/38/25/884363825.db2.gz ULPCZTFRAJKWTJ-NHCUHLMSSA-N 2 2 377.488 3.696 20 0 GHADLP CCOc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OCC ZINC000428547591 884417808 /nfs/dbraw/zinc/41/78/08/884417808.db2.gz MLSAVZWLJIFKBW-QFIPXVFZSA-N 2 2 398.547 3.865 20 0 GHADLP CCOc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OCC ZINC000428547591 884417819 /nfs/dbraw/zinc/41/78/19/884417819.db2.gz MLSAVZWLJIFKBW-QFIPXVFZSA-N 2 2 398.547 3.865 20 0 GHADLP Cn1nc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cc1C(F)(F)F ZINC000898018580 884557419 /nfs/dbraw/zinc/55/74/19/884557419.db2.gz BEDIWMJZHBRIOP-BQFCYCMXSA-N 2 2 378.442 3.582 20 0 GHADLP Cn1nc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1C(F)(F)F ZINC000898018580 884557426 /nfs/dbraw/zinc/55/74/26/884557426.db2.gz BEDIWMJZHBRIOP-BQFCYCMXSA-N 2 2 378.442 3.582 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1C ZINC000729606954 884807222 /nfs/dbraw/zinc/80/72/22/884807222.db2.gz VTZIWUCAIQVRSO-UHFFFAOYSA-N 2 2 396.535 3.513 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1C ZINC000729606954 884807226 /nfs/dbraw/zinc/80/72/26/884807226.db2.gz VTZIWUCAIQVRSO-UHFFFAOYSA-N 2 2 396.535 3.513 20 0 GHADLP CC[N@H+](CC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1Cl ZINC000806725129 884938077 /nfs/dbraw/zinc/93/80/77/884938077.db2.gz FWTGJJIVKLMQHC-UHFFFAOYSA-N 2 2 387.955 3.882 20 0 GHADLP CC[N@@H+](CC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1Cl ZINC000806725129 884938089 /nfs/dbraw/zinc/93/80/89/884938089.db2.gz FWTGJJIVKLMQHC-UHFFFAOYSA-N 2 2 387.955 3.882 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000106111957 884960329 /nfs/dbraw/zinc/96/03/29/884960329.db2.gz GUXUWAICKLXFBP-UHFFFAOYSA-N 2 2 376.504 3.703 20 0 GHADLP O[C@@H](c1ccccc1)C1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000795850873 912910904 /nfs/dbraw/zinc/91/09/04/912910904.db2.gz CIZIFQGFAPWWEM-VWLOTQADSA-N 2 2 393.575 3.644 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000532447171 885491454 /nfs/dbraw/zinc/49/14/54/885491454.db2.gz WXKRTYHWUMYOAZ-HNNXBMFYSA-N 2 2 387.446 3.624 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1CCN(c2ccc(Cl)cc2)C1=O ZINC000808181771 886076246 /nfs/dbraw/zinc/07/62/46/886076246.db2.gz AFMLROPNTIBURF-UHFFFAOYSA-N 2 2 389.931 3.711 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1CCN(c2ccc(Cl)cc2)C1=O ZINC000808181771 886076247 /nfs/dbraw/zinc/07/62/47/886076247.db2.gz AFMLROPNTIBURF-UHFFFAOYSA-N 2 2 389.931 3.711 20 0 GHADLP C[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[NH+]1CCC(C)CC1 ZINC000119004494 886330015 /nfs/dbraw/zinc/33/00/15/886330015.db2.gz XCRHJHPNEZIYKG-QGZVFWFLSA-N 2 2 377.960 3.655 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(N2CCCC2=O)cc1 ZINC000777259782 886393962 /nfs/dbraw/zinc/39/39/62/886393962.db2.gz WMPXBMFXDKEFAB-UWJYYQICSA-N 2 2 393.535 3.522 20 0 GHADLP CN(C(=O)Nc1ccc(F)c(F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000119314983 886584766 /nfs/dbraw/zinc/58/47/66/886584766.db2.gz CKCHTVQYKVMIJN-PMACEKPBSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1ccc(F)c(F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000119314983 886584783 /nfs/dbraw/zinc/58/47/83/886584783.db2.gz CKCHTVQYKVMIJN-PMACEKPBSA-N 2 2 394.510 3.766 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C ZINC000537615500 886634479 /nfs/dbraw/zinc/63/44/79/886634479.db2.gz WRYFCRKPZPLEPC-BEFAXECRSA-N 2 2 391.357 3.939 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C ZINC000537615500 886634482 /nfs/dbraw/zinc/63/44/82/886634482.db2.gz WRYFCRKPZPLEPC-BEFAXECRSA-N 2 2 391.357 3.939 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C ZINC000537615500 886634484 /nfs/dbraw/zinc/63/44/84/886634484.db2.gz WRYFCRKPZPLEPC-BEFAXECRSA-N 2 2 391.357 3.939 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C ZINC000537615500 886634489 /nfs/dbraw/zinc/63/44/89/886634489.db2.gz WRYFCRKPZPLEPC-BEFAXECRSA-N 2 2 391.357 3.939 20 0 GHADLP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000123570377 886649357 /nfs/dbraw/zinc/64/93/57/886649357.db2.gz CQQFYZBCXZNUGT-FDDCHVKYSA-N 2 2 389.547 3.884 20 0 GHADLP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000123570377 886649370 /nfs/dbraw/zinc/64/93/70/886649370.db2.gz CQQFYZBCXZNUGT-FDDCHVKYSA-N 2 2 389.547 3.884 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000119412827 886667497 /nfs/dbraw/zinc/66/74/97/886667497.db2.gz FZYGKSIULBKNIM-SFTDATJTSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000119412827 886667505 /nfs/dbraw/zinc/66/75/05/886667505.db2.gz FZYGKSIULBKNIM-SFTDATJTSA-N 2 2 390.547 3.935 20 0 GHADLP CN(C(=O)Nc1ccc2c(c1)CCC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000119540323 886713933 /nfs/dbraw/zinc/71/39/33/886713933.db2.gz GBYHSIMVRVJIOR-PKTZIBPZSA-N 2 2 398.595 3.976 20 0 GHADLP CN(C(=O)Nc1ccc2c(c1)CCC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000119540323 886713937 /nfs/dbraw/zinc/71/39/37/886713937.db2.gz GBYHSIMVRVJIOR-PKTZIBPZSA-N 2 2 398.595 3.976 20 0 GHADLP C[C@@H]([NH2+][C@H](c1nccn1C)c1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000128322465 887172787 /nfs/dbraw/zinc/17/27/87/887172787.db2.gz SIVVYOHCJTUDKM-VGSWGCGISA-N 2 2 396.510 3.940 20 0 GHADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000863661222 887269999 /nfs/dbraw/zinc/26/99/99/887269999.db2.gz GHEIQORWFIISMN-LAUBAEHRSA-N 2 2 392.503 3.938 20 0 GHADLP Cc1cc(C)c(CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c[nH+]1 ZINC000454242043 887518804 /nfs/dbraw/zinc/51/88/04/887518804.db2.gz JLAWWVLDMMPJMA-UHFFFAOYSA-N 2 2 380.536 3.930 20 0 GHADLP OC[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000532675545 887576669 /nfs/dbraw/zinc/57/66/69/887576669.db2.gz QVFUPPVLDOLSJA-GOSISDBHSA-N 2 2 389.421 3.832 20 0 GHADLP C[C@@H]1C[C@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000132364871 887646718 /nfs/dbraw/zinc/64/67/18/887646718.db2.gz QRTJJDBHRWATDD-DENIHFKCSA-N 2 2 388.515 3.997 20 0 GHADLP C[C@@H]1C[C@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000132364871 887646726 /nfs/dbraw/zinc/64/67/26/887646726.db2.gz QRTJJDBHRWATDD-DENIHFKCSA-N 2 2 388.515 3.997 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CSc3ccc4ccccc4c3)CC2)CC1 ZINC000050801980 887711591 /nfs/dbraw/zinc/71/15/91/887711591.db2.gz LDCIJVDHQBNUQO-UHFFFAOYSA-N 2 2 397.588 3.607 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000809995338 888051486 /nfs/dbraw/zinc/05/14/86/888051486.db2.gz OHNACUJOIPXLDA-SFHVURJKSA-N 2 2 380.410 3.986 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC(C)(C)CCC[NH+](C)C)n2)C1 ZINC000454271283 888263728 /nfs/dbraw/zinc/26/37/28/888263728.db2.gz GKYLTTYJYIYHPZ-HNNXBMFYSA-N 2 2 381.590 3.617 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC(C)(C)CCC[NH+](C)C)n2)C1 ZINC000454271283 888263742 /nfs/dbraw/zinc/26/37/42/888263742.db2.gz GKYLTTYJYIYHPZ-HNNXBMFYSA-N 2 2 381.590 3.617 20 0 GHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)OCC1CC[NH+](Cc2ccco2)CC1 ZINC000810640387 888734047 /nfs/dbraw/zinc/73/40/47/888734047.db2.gz VYKMXYZWFHVREV-UHFFFAOYSA-N 2 2 393.487 3.522 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccncc2OC[C@H]2CCOC2)cc1 ZINC000287361007 913286494 /nfs/dbraw/zinc/28/64/94/913286494.db2.gz ODLGONIBNAYBTO-HKUYNNGSSA-N 2 2 392.503 3.842 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000532754880 888888661 /nfs/dbraw/zinc/88/86/61/888888661.db2.gz QYKOSKYXHNJDOT-NVXWUHKLSA-N 2 2 391.968 3.613 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000532754880 888888671 /nfs/dbraw/zinc/88/86/71/888888671.db2.gz QYKOSKYXHNJDOT-NVXWUHKLSA-N 2 2 391.968 3.613 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccc(Cl)s1 ZINC000532754880 888888681 /nfs/dbraw/zinc/88/86/81/888888681.db2.gz QYKOSKYXHNJDOT-NVXWUHKLSA-N 2 2 391.968 3.613 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccc(Cl)s1 ZINC000532754880 888888694 /nfs/dbraw/zinc/88/86/94/888888694.db2.gz QYKOSKYXHNJDOT-NVXWUHKLSA-N 2 2 391.968 3.613 20 0 GHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](Cc1ccccn1)c1cccnc1)C2 ZINC000532802825 888977441 /nfs/dbraw/zinc/97/74/41/888977441.db2.gz WXSCPRVEFPBVEV-WOJBJXKFSA-N 2 2 375.520 3.859 20 0 GHADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccnc(Cl)c2Cl)CC1 ZINC000811474215 889659545 /nfs/dbraw/zinc/65/95/45/889659545.db2.gz FMZLZFGBFLWEQE-UHFFFAOYSA-N 2 2 393.362 3.816 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000124583495 889683917 /nfs/dbraw/zinc/68/39/17/889683917.db2.gz NLENQWWDMICERP-HSQYWUDLSA-N 2 2 389.559 3.725 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000124583495 889683925 /nfs/dbraw/zinc/68/39/25/889683925.db2.gz NLENQWWDMICERP-HSQYWUDLSA-N 2 2 389.559 3.725 20 0 GHADLP CN(C(=O)Cc1cccc(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124613211 889694651 /nfs/dbraw/zinc/69/46/51/889694651.db2.gz MZOLSMDGLAEOQQ-SFTDATJTSA-N 2 2 391.987 3.678 20 0 GHADLP CN(C(=O)Cc1cccc(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124613211 889694659 /nfs/dbraw/zinc/69/46/59/889694659.db2.gz MZOLSMDGLAEOQQ-SFTDATJTSA-N 2 2 391.987 3.678 20 0 GHADLP Cc1cc(F)cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124789660 889762836 /nfs/dbraw/zinc/76/28/36/889762836.db2.gz SEXCSLGSJTYKTA-RTWAWAEBSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1cc(F)cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124789660 889762845 /nfs/dbraw/zinc/76/28/45/889762845.db2.gz SEXCSLGSJTYKTA-RTWAWAEBSA-N 2 2 375.532 3.543 20 0 GHADLP CN(C(=O)CCCc1cccs1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124811365 889772411 /nfs/dbraw/zinc/77/24/11/889772411.db2.gz XGHDHQKDXVJLPQ-RTWAWAEBSA-N 2 2 391.625 3.866 20 0 GHADLP CN(C(=O)CCCc1cccs1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124811365 889772413 /nfs/dbraw/zinc/77/24/13/889772413.db2.gz XGHDHQKDXVJLPQ-RTWAWAEBSA-N 2 2 391.625 3.866 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(Cl)c(Cl)c3)[nH+]c2)CC1 ZINC000533187603 889976782 /nfs/dbraw/zinc/97/67/82/889976782.db2.gz VGGKLJJXQPNIJZ-UHFFFAOYSA-N 2 2 379.335 3.953 20 0 GHADLP O[C@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)Cc1cccc(Cl)c1 ZINC000644636226 913417076 /nfs/dbraw/zinc/41/70/76/913417076.db2.gz ROJNUVSXEQHJOE-ABHNRTSZSA-N 2 2 390.877 3.638 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC000795102316 890259449 /nfs/dbraw/zinc/25/94/49/890259449.db2.gz NSVOIDZOOUPHBP-ICSRJNTNSA-N 2 2 382.508 3.704 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC000795102316 890259464 /nfs/dbraw/zinc/25/94/64/890259464.db2.gz NSVOIDZOOUPHBP-ICSRJNTNSA-N 2 2 382.508 3.704 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000533347617 890308152 /nfs/dbraw/zinc/30/81/52/890308152.db2.gz DLJIVAXVYJHWIC-CYBMUJFWSA-N 2 2 376.888 3.587 20 0 GHADLP CNc1ccc(-n2ccc(NC(=O)c3ccc([C@@H](C)[NH3+])cc3)c3ccnc2-3)c[nH+]1 ZINC001170667326 890450851 /nfs/dbraw/zinc/45/08/51/890450851.db2.gz MZDKVNFMUBQDLW-CQSZACIVSA-N 2 2 386.459 3.686 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(Br)c3OC(F)F)CC[C@H]21 ZINC000533558995 890842933 /nfs/dbraw/zinc/84/29/33/890842933.db2.gz YKQCREMLAQMOBS-SWLSCSKDSA-N 2 2 389.284 3.967 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(Br)c3OC(F)F)CC[C@H]21 ZINC000533558995 890842946 /nfs/dbraw/zinc/84/29/46/890842946.db2.gz YKQCREMLAQMOBS-SWLSCSKDSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(Br)c3OC(F)F)CC[C@H]21 ZINC000533558995 890842957 /nfs/dbraw/zinc/84/29/57/890842957.db2.gz YKQCREMLAQMOBS-SWLSCSKDSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(Br)c3OC(F)F)CC[C@H]21 ZINC000533558995 890842971 /nfs/dbraw/zinc/84/29/71/890842971.db2.gz YKQCREMLAQMOBS-SWLSCSKDSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+](C)Cc1ccc(-c2noc([C@H]([NH3+])c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000871783907 891009173 /nfs/dbraw/zinc/00/91/73/891009173.db2.gz KDLZXAUNRWXFBY-MRXNPFEDSA-N 2 2 376.382 3.865 20 0 GHADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)C[C@@H]1C(F)(F)F ZINC000872150580 891183899 /nfs/dbraw/zinc/18/38/99/891183899.db2.gz FRICEQVZHQUSLM-OCCSQVGLSA-N 2 2 388.231 3.566 20 0 GHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)C[C@@H]1C(F)(F)F ZINC000872150580 891183907 /nfs/dbraw/zinc/18/39/07/891183907.db2.gz FRICEQVZHQUSLM-OCCSQVGLSA-N 2 2 388.231 3.566 20 0 GHADLP Fc1cc(F)c2c(c1)CC[C@@H]([N@@H+]1C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C1)C2 ZINC001170696610 891285552 /nfs/dbraw/zinc/28/55/52/891285552.db2.gz FVHUEBXGKWBZIS-SVFBPWRDSA-N 2 2 383.486 3.671 20 0 GHADLP Fc1cc(F)c2c(c1)CC[C@@H]([N@H+]1C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C1)C2 ZINC001170696610 891285569 /nfs/dbraw/zinc/28/55/69/891285569.db2.gz FVHUEBXGKWBZIS-SVFBPWRDSA-N 2 2 383.486 3.671 20 0 GHADLP Fc1cc(F)c2c(c1)CC[C@@H]([NH+]1C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C1)C2 ZINC001170696610 891285586 /nfs/dbraw/zinc/28/55/86/891285586.db2.gz FVHUEBXGKWBZIS-SVFBPWRDSA-N 2 2 383.486 3.671 20 0 GHADLP Fc1cc(F)c2c(c1)CC[C@@H]([NH+]1C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C1)C2 ZINC001170696610 891285603 /nfs/dbraw/zinc/28/56/03/891285603.db2.gz FVHUEBXGKWBZIS-SVFBPWRDSA-N 2 2 383.486 3.671 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247034311 891336588 /nfs/dbraw/zinc/33/65/88/891336588.db2.gz YMZAPESHLQVQTB-SELNLUPBSA-N 2 2 396.579 3.563 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247034311 891336605 /nfs/dbraw/zinc/33/66/05/891336605.db2.gz YMZAPESHLQVQTB-SELNLUPBSA-N 2 2 396.579 3.563 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247034311 891336618 /nfs/dbraw/zinc/33/66/18/891336618.db2.gz YMZAPESHLQVQTB-SELNLUPBSA-N 2 2 396.579 3.563 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247034311 891336629 /nfs/dbraw/zinc/33/66/29/891336629.db2.gz YMZAPESHLQVQTB-SELNLUPBSA-N 2 2 396.579 3.563 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000247121214 891346606 /nfs/dbraw/zinc/34/66/06/891346606.db2.gz RDYJBEAKWASUIX-WMZHIEFXSA-N 2 2 397.538 3.769 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000247121214 891346614 /nfs/dbraw/zinc/34/66/14/891346614.db2.gz RDYJBEAKWASUIX-WMZHIEFXSA-N 2 2 397.538 3.769 20 0 GHADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247230971 891357420 /nfs/dbraw/zinc/35/74/20/891357420.db2.gz YMSNMZHFUPKQMY-QRVBRYPASA-N 2 2 375.582 3.750 20 0 GHADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247230971 891357432 /nfs/dbraw/zinc/35/74/32/891357432.db2.gz YMSNMZHFUPKQMY-QRVBRYPASA-N 2 2 375.582 3.750 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cnnn1-c1ccccc1 ZINC000813327709 891478839 /nfs/dbraw/zinc/47/88/39/891478839.db2.gz HBIOFDNPIKESKJ-QZTJIDSGSA-N 2 2 376.508 3.539 20 0 GHADLP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000497471002 891646887 /nfs/dbraw/zinc/64/68/87/891646887.db2.gz RMLKGXQJHYHTJB-FPOVZHCZSA-N 2 2 381.511 3.728 20 0 GHADLP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000497471002 891646896 /nfs/dbraw/zinc/64/68/96/891646896.db2.gz RMLKGXQJHYHTJB-FPOVZHCZSA-N 2 2 381.511 3.728 20 0 GHADLP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc(OC)c1 ZINC000162013134 891939134 /nfs/dbraw/zinc/93/91/34/891939134.db2.gz FGMPZJPGKPRJRD-JOCHJYFZSA-N 2 2 384.520 3.647 20 0 GHADLP CCn1ccnc1C[N@H+](C/C=C/c1ccccc1OC)[C@@H]1CC12CC[NH2+]CC2 ZINC000262105560 892221399 /nfs/dbraw/zinc/22/13/99/892221399.db2.gz JMIOXBFYGTZSMH-HSTAZWAASA-N 2 2 380.536 3.569 20 0 GHADLP CCn1ccnc1C[N@@H+](C/C=C/c1ccccc1OC)[C@@H]1CC12CC[NH2+]CC2 ZINC000262105560 892221419 /nfs/dbraw/zinc/22/14/19/892221419.db2.gz JMIOXBFYGTZSMH-HSTAZWAASA-N 2 2 380.536 3.569 20 0 GHADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508721216 892970283 /nfs/dbraw/zinc/97/02/83/892970283.db2.gz ULXSDISZBYXZNN-ZJSXRUAMSA-N 3 2 388.559 3.974 20 0 GHADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721216 892970290 /nfs/dbraw/zinc/97/02/90/892970290.db2.gz ULXSDISZBYXZNN-ZJSXRUAMSA-N 3 2 388.559 3.974 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000533865553 893272373 /nfs/dbraw/zinc/27/23/73/893272373.db2.gz QKMPITGHXFBPOA-LJQANCHMSA-N 2 2 398.526 3.710 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000533865553 893272386 /nfs/dbraw/zinc/27/23/86/893272386.db2.gz QKMPITGHXFBPOA-LJQANCHMSA-N 2 2 398.526 3.710 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@@H](C)C1 ZINC000876765770 893319485 /nfs/dbraw/zinc/31/94/85/893319485.db2.gz XKSZREMTESVQGD-DOTOQJQBSA-N 2 2 394.560 3.597 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@@H](C)C1 ZINC000876765770 893319502 /nfs/dbraw/zinc/31/95/02/893319502.db2.gz XKSZREMTESVQGD-DOTOQJQBSA-N 2 2 394.560 3.597 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@@H](C)C1 ZINC000876765770 893319517 /nfs/dbraw/zinc/31/95/17/893319517.db2.gz XKSZREMTESVQGD-DOTOQJQBSA-N 2 2 394.560 3.597 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@@H](C)C1 ZINC000876765770 893319532 /nfs/dbraw/zinc/31/95/32/893319532.db2.gz XKSZREMTESVQGD-DOTOQJQBSA-N 2 2 394.560 3.597 20 0 GHADLP Oc1cccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1Br ZINC000459412843 893474791 /nfs/dbraw/zinc/47/47/91/893474791.db2.gz VWXHYJPXFPFRBB-QGZVFWFLSA-N 2 2 389.337 3.809 20 0 GHADLP Oc1cccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1Br ZINC000459412843 893474799 /nfs/dbraw/zinc/47/47/99/893474799.db2.gz VWXHYJPXFPFRBB-QGZVFWFLSA-N 2 2 389.337 3.809 20 0 GHADLP [NH3+][C@H](C[C@@H]1CCCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1)C1CCCC1 ZINC000877443074 893602966 /nfs/dbraw/zinc/60/29/66/893602966.db2.gz BVJNMAGAXOOFFS-UAGQMJEPSA-N 2 2 386.462 3.523 20 0 GHADLP [NH3+][C@H](C[C@@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1)C1CCCC1 ZINC000877448088 893611411 /nfs/dbraw/zinc/61/14/11/893611411.db2.gz CUDTZSRIOYMRQV-SIKLNZKXSA-N 2 2 380.536 3.691 20 0 GHADLP CN(C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563494612 893824945 /nfs/dbraw/zinc/82/49/45/893824945.db2.gz QVBIPRFDRRUJDI-UFRUDQCGSA-N 2 2 379.508 3.633 20 0 GHADLP c1cc(-c2ccccc2)oc1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000126751928 893845191 /nfs/dbraw/zinc/84/51/91/893845191.db2.gz ASKQGLANXNIMJD-UHFFFAOYSA-N 2 2 392.499 3.947 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536851996 893936415 /nfs/dbraw/zinc/93/64/15/893936415.db2.gz OPHDMFSQSZVGOU-NVXWUHKLSA-N 2 2 380.879 3.982 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCC2(CCOCC2)CO1 ZINC000878150770 894054577 /nfs/dbraw/zinc/05/45/77/894054577.db2.gz OZEKRKDBKJDANM-OAQYLSRUSA-N 2 2 387.568 3.596 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCC2(CCOCC2)CO1 ZINC000878150770 894054594 /nfs/dbraw/zinc/05/45/94/894054594.db2.gz OZEKRKDBKJDANM-OAQYLSRUSA-N 2 2 387.568 3.596 20 0 GHADLP CCc1oc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1C(=O)OC ZINC000563790115 894197964 /nfs/dbraw/zinc/19/79/64/894197964.db2.gz WBLJEODIKPCQEX-RTBURBONSA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1C(=O)OC ZINC000563790115 894197969 /nfs/dbraw/zinc/19/79/69/894197969.db2.gz WBLJEODIKPCQEX-RTBURBONSA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1C(=O)OC ZINC000563790115 894197974 /nfs/dbraw/zinc/19/79/74/894197974.db2.gz WBLJEODIKPCQEX-RTBURBONSA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1C(=O)OC ZINC000563790115 894197980 /nfs/dbraw/zinc/19/79/80/894197980.db2.gz WBLJEODIKPCQEX-RTBURBONSA-N 2 2 382.504 3.583 20 0 GHADLP C[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCC1(F)F ZINC000563918803 894327130 /nfs/dbraw/zinc/32/71/30/894327130.db2.gz GZZBNXCGTZZCPE-CRAIPNDOSA-N 2 2 399.913 3.570 20 0 GHADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCC1(F)F ZINC000563918803 894327147 /nfs/dbraw/zinc/32/71/47/894327147.db2.gz GZZBNXCGTZZCPE-CRAIPNDOSA-N 2 2 399.913 3.570 20 0 GHADLP CCC[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000537229049 894606215 /nfs/dbraw/zinc/60/62/15/894606215.db2.gz GFCXTGLODZUHHO-HXUWFJFHSA-N 2 2 385.577 3.936 20 0 GHADLP CCC[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000537229049 894606220 /nfs/dbraw/zinc/60/62/20/894606220.db2.gz GFCXTGLODZUHHO-HXUWFJFHSA-N 2 2 385.577 3.936 20 0 GHADLP CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000460175700 894809733 /nfs/dbraw/zinc/80/97/33/894809733.db2.gz WIWVHYNQTOMYNQ-UHFFFAOYSA-N 2 2 397.567 3.729 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1C1CC1 ZINC000564318355 894858069 /nfs/dbraw/zinc/85/80/69/894858069.db2.gz VVSRFRUNGYVRNY-YLJYHZDGSA-N 2 2 393.531 3.888 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1C1CC1 ZINC000564318355 894858081 /nfs/dbraw/zinc/85/80/81/894858081.db2.gz VVSRFRUNGYVRNY-YLJYHZDGSA-N 2 2 393.531 3.888 20 0 GHADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816554334 894939960 /nfs/dbraw/zinc/93/99/60/894939960.db2.gz VJVNLQLPYOAVSI-VQIMIIECSA-N 2 2 384.524 3.549 20 0 GHADLP [NH3+][C@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1ccccc1 ZINC000564941019 895317134 /nfs/dbraw/zinc/31/71/34/895317134.db2.gz XDKFZLDRRITXGB-IBGZPJMESA-N 2 2 392.330 3.774 20 0 GHADLP Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(F)c(C[NH2+][C@@H](C)c2nccnc2C)c1 ZINC000880109356 895522131 /nfs/dbraw/zinc/52/21/31/895522131.db2.gz XGXZYRUCQAREAC-IRXDYDNUSA-N 2 2 394.498 3.724 20 0 GHADLP CC/C(=C/C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccc(OC)cc1 ZINC000817656159 895821804 /nfs/dbraw/zinc/82/18/04/895821804.db2.gz CETGSZJVIJGORN-VXPUYCOJSA-N 2 2 399.579 3.507 20 0 GHADLP CC/C(=C/C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccc(OC)cc1 ZINC000817656159 895821818 /nfs/dbraw/zinc/82/18/18/895821818.db2.gz CETGSZJVIJGORN-VXPUYCOJSA-N 2 2 399.579 3.507 20 0 GHADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)nc(N2CCCC2)n1 ZINC000566229178 896191058 /nfs/dbraw/zinc/19/10/58/896191058.db2.gz KEDCRVNVGZFIKJ-NRFANRHFSA-N 2 2 391.563 3.672 20 0 GHADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)nc(N2CCCC2)n1 ZINC000566229178 896191065 /nfs/dbraw/zinc/19/10/65/896191065.db2.gz KEDCRVNVGZFIKJ-NRFANRHFSA-N 2 2 391.563 3.672 20 0 GHADLP O[C@@H](C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(C(F)(F)F)c1 ZINC000818952165 896290929 /nfs/dbraw/zinc/29/09/29/896290929.db2.gz GYDCOLANJNRDMP-IBGZPJMESA-N 2 2 375.394 3.773 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000819183514 896453817 /nfs/dbraw/zinc/45/38/17/896453817.db2.gz PNMHKGYFIDYWIS-QRWLVFNGSA-N 2 2 393.453 3.949 20 0 GHADLP COc1ccccc1O[C@H](C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000129612957 896774731 /nfs/dbraw/zinc/77/47/31/896774731.db2.gz AYGQVEFYNQAKRK-GOSISDBHSA-N 2 2 383.536 3.787 20 0 GHADLP CC[N@H+](Cc1ccc(-c2nc([C@H]3C[NH+]4CCCC[C@H]4CO3)no2)cc1)C1CC1 ZINC000567320211 897058872 /nfs/dbraw/zinc/05/88/72/897058872.db2.gz RTTSXXVJEHXLLB-VQTJNVASSA-N 2 2 382.508 3.647 20 0 GHADLP CC[N@@H+](Cc1ccc(-c2nc([C@H]3C[NH+]4CCCC[C@H]4CO3)no2)cc1)C1CC1 ZINC000567320211 897058886 /nfs/dbraw/zinc/05/88/86/897058886.db2.gz RTTSXXVJEHXLLB-VQTJNVASSA-N 2 2 382.508 3.647 20 0 GHADLP CC[NH+](Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1)C1CC1 ZINC000567320211 897058902 /nfs/dbraw/zinc/05/89/02/897058902.db2.gz RTTSXXVJEHXLLB-VQTJNVASSA-N 2 2 382.508 3.647 20 0 GHADLP CC[NH+](Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1)C1CC1 ZINC000567320211 897058914 /nfs/dbraw/zinc/05/89/14/897058914.db2.gz RTTSXXVJEHXLLB-VQTJNVASSA-N 2 2 382.508 3.647 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC2)cc1 ZINC000567322362 897060702 /nfs/dbraw/zinc/06/07/02/897060702.db2.gz JYGNUCVTVLRULB-AGILITTLSA-N 2 2 399.579 3.794 20 0 GHADLP COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000567483068 897191167 /nfs/dbraw/zinc/19/11/67/897191167.db2.gz JHCXLKYDVNYSNM-KRWDZBQOSA-N 2 2 378.314 3.961 20 0 GHADLP COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000567483068 897191180 /nfs/dbraw/zinc/19/11/80/897191180.db2.gz JHCXLKYDVNYSNM-KRWDZBQOSA-N 2 2 378.314 3.961 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000042229129 897322111 /nfs/dbraw/zinc/32/21/11/897322111.db2.gz IKAINTPCJHSIFU-MRXNPFEDSA-N 2 2 376.907 3.606 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000042229129 897322125 /nfs/dbraw/zinc/32/21/25/897322125.db2.gz IKAINTPCJHSIFU-MRXNPFEDSA-N 2 2 376.907 3.606 20 0 GHADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001136464983 897972202 /nfs/dbraw/zinc/97/22/02/897972202.db2.gz BGOOUHCWEGQPGT-VXKWHMMOSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001136464983 897972206 /nfs/dbraw/zinc/97/22/06/897972206.db2.gz BGOOUHCWEGQPGT-VXKWHMMOSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001136464983 897972216 /nfs/dbraw/zinc/97/22/16/897972216.db2.gz BGOOUHCWEGQPGT-VXKWHMMOSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001136464983 897972221 /nfs/dbraw/zinc/97/22/21/897972221.db2.gz BGOOUHCWEGQPGT-VXKWHMMOSA-N 2 2 389.559 3.951 20 0 GHADLP c1cn(Cc2cccc(-c3noc(C4(c5ccccc5)CC[NH2+]CC4)n3)c2)c[nH+]1 ZINC000822729389 898592777 /nfs/dbraw/zinc/59/27/77/898592777.db2.gz WZYIXTLGVSOSOD-UHFFFAOYSA-N 2 2 385.471 3.651 20 0 GHADLP c1[nH]c2nccnc2c1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000569894864 899011615 /nfs/dbraw/zinc/01/16/15/899011615.db2.gz KGMRCZZHTIZXQZ-FCHUYYIVSA-N 2 2 383.499 3.667 20 0 GHADLP c1[nH]c2nccnc2c1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000569894864 899011630 /nfs/dbraw/zinc/01/16/30/899011630.db2.gz KGMRCZZHTIZXQZ-FCHUYYIVSA-N 2 2 383.499 3.667 20 0 GHADLP O=C(OCc1ccccc1)c1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c[nH]1 ZINC000823459045 899037495 /nfs/dbraw/zinc/03/74/95/899037495.db2.gz NQSKYZZLPRPBTP-NRFANRHFSA-N 2 2 381.520 3.822 20 0 GHADLP O=C(OCc1ccccc1)c1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c[nH]1 ZINC000823459045 899037510 /nfs/dbraw/zinc/03/75/10/899037510.db2.gz NQSKYZZLPRPBTP-NRFANRHFSA-N 2 2 381.520 3.822 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CCCC1)c1ccccc1 ZINC001136797506 899321040 /nfs/dbraw/zinc/32/10/40/899321040.db2.gz MUMTYXAJVDTDKA-LAUBAEHRSA-N 2 2 395.551 3.570 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CCCC1)c1ccccc1 ZINC001136797506 899321052 /nfs/dbraw/zinc/32/10/52/899321052.db2.gz MUMTYXAJVDTDKA-LAUBAEHRSA-N 2 2 395.551 3.570 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1cccc(C)c1Br ZINC001136818831 899371230 /nfs/dbraw/zinc/37/12/30/899371230.db2.gz KDFSIQDZNIDHCD-UHFFFAOYSA-N 2 2 385.265 3.828 20 0 GHADLP [NH3+]C[C@@H]1C[N@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)CC12CCOCC2 ZINC000570688367 899508065 /nfs/dbraw/zinc/50/80/65/899508065.db2.gz ZKFFHDVZCAZZTR-MRXNPFEDSA-N 2 2 391.968 3.575 20 0 GHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)CC12CCOCC2 ZINC000570688367 899508078 /nfs/dbraw/zinc/50/80/78/899508078.db2.gz ZKFFHDVZCAZZTR-MRXNPFEDSA-N 2 2 391.968 3.575 20 0 GHADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000824575890 899694541 /nfs/dbraw/zinc/69/45/41/899694541.db2.gz SZMYELBAHGEFOS-QFBILLFUSA-N 2 2 385.512 3.535 20 0 GHADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000824575890 899694545 /nfs/dbraw/zinc/69/45/45/899694545.db2.gz SZMYELBAHGEFOS-QFBILLFUSA-N 2 2 385.512 3.535 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(C)c1OC ZINC000570992578 899703515 /nfs/dbraw/zinc/70/35/15/899703515.db2.gz OPJDKKVZPKHKAT-RCZSKKKRSA-N 2 2 398.547 3.546 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(C)c1OC ZINC000570992578 899703521 /nfs/dbraw/zinc/70/35/21/899703521.db2.gz OPJDKKVZPKHKAT-RCZSKKKRSA-N 2 2 398.547 3.546 20 0 GHADLP COc1ncc(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cc1C ZINC001137003611 900024405 /nfs/dbraw/zinc/02/44/05/900024405.db2.gz XIPCFTVFSDBMOG-UHFFFAOYSA-N 2 2 392.503 3.577 20 0 GHADLP COc1ncc(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cc1C ZINC001137003611 900024416 /nfs/dbraw/zinc/02/44/16/900024416.db2.gz XIPCFTVFSDBMOG-UHFFFAOYSA-N 2 2 392.503 3.577 20 0 GHADLP COc1ncc(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)cc1C ZINC001137003611 900024432 /nfs/dbraw/zinc/02/44/32/900024432.db2.gz XIPCFTVFSDBMOG-UHFFFAOYSA-N 2 2 392.503 3.577 20 0 GHADLP COc1ncc(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)cc1C ZINC001137003611 900024440 /nfs/dbraw/zinc/02/44/40/900024440.db2.gz XIPCFTVFSDBMOG-UHFFFAOYSA-N 2 2 392.503 3.577 20 0 GHADLP CCC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825255857 900054661 /nfs/dbraw/zinc/05/46/61/900054661.db2.gz YXTAIJOXGJLWOI-GHTZIAJQSA-N 2 2 382.556 3.780 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)n2C ZINC000573606360 900573702 /nfs/dbraw/zinc/57/37/02/900573702.db2.gz UNFSTGOMHWKEHB-LJQANCHMSA-N 2 2 390.531 3.869 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)n2C ZINC000573606360 900573712 /nfs/dbraw/zinc/57/37/12/900573712.db2.gz UNFSTGOMHWKEHB-LJQANCHMSA-N 2 2 390.531 3.869 20 0 GHADLP CC[N@@H+](Cc1cc(OC)c(O)c(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000289971675 914457476 /nfs/dbraw/zinc/45/74/76/914457476.db2.gz JENGLUOOVVPCDM-UHFFFAOYSA-N 2 2 385.508 3.543 20 0 GHADLP CC[N@H+](Cc1cc(OC)c(O)c(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000289971675 914457485 /nfs/dbraw/zinc/45/74/85/914457485.db2.gz JENGLUOOVVPCDM-UHFFFAOYSA-N 2 2 385.508 3.543 20 0 GHADLP CCC[NH+]1CCN(c2ccc(NC(=O)C[C@H](C)n3cc[nH+]c3)cc2Cl)CC1 ZINC000844349009 900745159 /nfs/dbraw/zinc/74/51/59/900745159.db2.gz FQJBMBGYPUIZCQ-INIZCTEOSA-N 2 2 389.931 3.658 20 0 GHADLP Cc1c(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cccc1C(F)(F)F ZINC001143924178 900774056 /nfs/dbraw/zinc/77/40/56/900774056.db2.gz OUQDGHBNTZSGOA-ROUUACIJSA-N 2 2 375.438 3.973 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1C ZINC000574716257 900977078 /nfs/dbraw/zinc/97/70/78/900977078.db2.gz WFIOXPAHGZBCAH-QUCCMNQESA-N 2 2 396.535 3.511 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000575236746 901174180 /nfs/dbraw/zinc/17/41/80/901174180.db2.gz XJXMSFVEGKVBDR-CQSZACIVSA-N 2 2 379.932 3.591 20 0 GHADLP Cc1[nH]c(C2CC[NH+](Cc3csc(-c4ccc(C(N)=O)cc4)n3)CC2)[nH+]c1C ZINC000886664691 901215839 /nfs/dbraw/zinc/21/58/39/901215839.db2.gz UXYGHIPKKGJVKM-UHFFFAOYSA-N 2 2 395.532 3.629 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(-n4cccc4)cc3)CC2)CC1 ZINC001144238986 901300114 /nfs/dbraw/zinc/30/01/14/901300114.db2.gz LFNIVPWTVIITIJ-UHFFFAOYSA-N 2 2 395.547 3.717 20 0 GHADLP CCOc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1OC ZINC000092645235 901503174 /nfs/dbraw/zinc/50/31/74/901503174.db2.gz PZJLXGALFCJAET-UHFFFAOYSA-N 2 2 383.536 3.628 20 0 GHADLP CCOc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1OC ZINC000092645235 901503180 /nfs/dbraw/zinc/50/31/80/901503180.db2.gz PZJLXGALFCJAET-UHFFFAOYSA-N 2 2 383.536 3.628 20 0 GHADLP Cc1sc2nc([C@H](C)[NH+]3CCC(CCC[NH+](C)C)CC3)[nH]c(=O)c2c1C ZINC000123296634 901917962 /nfs/dbraw/zinc/91/79/62/901917962.db2.gz QUYONFFTNCZSPW-AWEZNQCLSA-N 2 2 376.570 3.716 20 0 GHADLP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3ncc(C4OCCO4)s3)c2)CC1 ZINC000290387403 914659130 /nfs/dbraw/zinc/65/91/30/914659130.db2.gz OKGZZARJOYHMEV-UHFFFAOYSA-N 2 2 387.549 3.710 20 0 GHADLP C[C@@H]1CC[C@](C)(/C=C\C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC001145063116 903424829 /nfs/dbraw/zinc/42/48/29/903424829.db2.gz DZYDVHKIWZEUCY-PRLKHBPCSA-N 2 2 375.601 3.632 20 0 GHADLP C[C@@H]1CC[C@](C)(/C=C\C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC001145063116 903424834 /nfs/dbraw/zinc/42/48/34/903424834.db2.gz DZYDVHKIWZEUCY-PRLKHBPCSA-N 2 2 375.601 3.632 20 0 GHADLP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000264907271 903466705 /nfs/dbraw/zinc/46/67/05/903466705.db2.gz OVSFBNQVSZSNSB-UHFFFAOYSA-N 2 2 395.551 3.806 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646618536 914725020 /nfs/dbraw/zinc/72/50/20/914725020.db2.gz SQNKSEAQBJZCSC-HXUWFJFHSA-N 2 2 398.576 3.947 20 0 GHADLP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000578170639 903583993 /nfs/dbraw/zinc/58/39/93/903583993.db2.gz GHPZTDLKTVCHBD-FHWLQOOXSA-N 2 2 390.572 3.538 20 0 GHADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000578170639 903583999 /nfs/dbraw/zinc/58/39/99/903583999.db2.gz GHPZTDLKTVCHBD-FHWLQOOXSA-N 2 2 390.572 3.538 20 0 GHADLP CC[N@H+](CCC[NH+](C)C)Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000578282717 903689170 /nfs/dbraw/zinc/68/91/70/903689170.db2.gz QPYGJKRVKZKGQY-UHFFFAOYSA-N 2 2 379.346 3.717 20 0 GHADLP CC[N@@H+](CCC[NH+](C)C)Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000578282717 903689180 /nfs/dbraw/zinc/68/91/80/903689180.db2.gz QPYGJKRVKZKGQY-UHFFFAOYSA-N 2 2 379.346 3.717 20 0 GHADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Br)ccc3OC(F)F)C[C@H]21 ZINC000578507526 903917209 /nfs/dbraw/zinc/91/72/09/903917209.db2.gz USHMYVACGSAINL-ZLKJLUDKSA-N 2 2 375.257 3.610 20 0 GHADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Br)ccc3OC(F)F)C[C@H]21 ZINC000578507526 903917216 /nfs/dbraw/zinc/91/72/16/903917216.db2.gz USHMYVACGSAINL-ZLKJLUDKSA-N 2 2 375.257 3.610 20 0 GHADLP COc1ccc(Cl)c2c1C[C@H]([NH+]1CCC([N@H+](C)C3CCOCC3)CC1)CC2 ZINC001171327104 904019338 /nfs/dbraw/zinc/01/93/38/904019338.db2.gz VCMUITXZPIJYMO-GOSISDBHSA-N 2 2 392.971 3.781 20 0 GHADLP COc1ccc(Cl)c2c1C[C@H]([NH+]1CCC([N@@H+](C)C3CCOCC3)CC1)CC2 ZINC001171327104 904019352 /nfs/dbraw/zinc/01/93/52/904019352.db2.gz VCMUITXZPIJYMO-GOSISDBHSA-N 2 2 392.971 3.781 20 0 GHADLP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000578694010 904057968 /nfs/dbraw/zinc/05/79/68/904057968.db2.gz BCWKIEPHVRQTFZ-UHFFFAOYSA-N 2 2 388.943 3.565 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171469933 904745694 /nfs/dbraw/zinc/74/56/94/904745694.db2.gz ABPDOBHFUOMBAL-WTIAFYNJSA-N 2 2 386.486 3.701 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171469933 904745702 /nfs/dbraw/zinc/74/57/02/904745702.db2.gz ABPDOBHFUOMBAL-WTIAFYNJSA-N 2 2 386.486 3.701 20 0 GHADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC001171914008 905143335 /nfs/dbraw/zinc/14/33/35/905143335.db2.gz ITUIVFTWOVXJQD-BDVYOWHSSA-N 2 2 397.357 3.939 20 0 GHADLP CCN1CC[C@]2(CCC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1=O ZINC001171978485 905225074 /nfs/dbraw/zinc/22/50/74/905225074.db2.gz DLRXMSHCWNWDNT-QPPBQGQZSA-N 2 2 383.580 3.764 20 0 GHADLP CCN1CC[C@]2(CCC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1=O ZINC001171978485 905225096 /nfs/dbraw/zinc/22/50/96/905225096.db2.gz DLRXMSHCWNWDNT-QPPBQGQZSA-N 2 2 383.580 3.764 20 0 GHADLP CCN1CC[C@]2(CCC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)C1=O ZINC001171978485 905225115 /nfs/dbraw/zinc/22/51/15/905225115.db2.gz DLRXMSHCWNWDNT-QPPBQGQZSA-N 2 2 383.580 3.764 20 0 GHADLP CCN1CC[C@]2(CCC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)C1=O ZINC001171978485 905225133 /nfs/dbraw/zinc/22/51/33/905225133.db2.gz DLRXMSHCWNWDNT-QPPBQGQZSA-N 2 2 383.580 3.764 20 0 GHADLP Cc1ccnc(N2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)c1 ZINC001171987867 905251374 /nfs/dbraw/zinc/25/13/74/905251374.db2.gz KZXTVGXDANVPFV-JOCHJYFZSA-N 2 2 378.564 3.955 20 0 GHADLP Cc1ccnc(N2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)c1 ZINC001171987867 905251387 /nfs/dbraw/zinc/25/13/87/905251387.db2.gz KZXTVGXDANVPFV-JOCHJYFZSA-N 2 2 378.564 3.955 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]Cc2cc(OCC4CC4)ncn2)C3)cc1 ZINC001172070396 905273083 /nfs/dbraw/zinc/27/30/83/905273083.db2.gz NZOFFAUYBNEOFY-UADZTWIMSA-N 2 2 392.547 3.941 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]Cc2cc(OCC4CC4)ncn2)C3)cc1 ZINC001172070396 905273100 /nfs/dbraw/zinc/27/31/00/905273100.db2.gz NZOFFAUYBNEOFY-UADZTWIMSA-N 2 2 392.547 3.941 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001172072961 905279298 /nfs/dbraw/zinc/27/92/98/905279298.db2.gz OAYHKPWBTVFSKM-KOUNCHBCSA-N 2 2 393.531 3.934 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172072961 905279317 /nfs/dbraw/zinc/27/93/17/905279317.db2.gz OAYHKPWBTVFSKM-KOUNCHBCSA-N 2 2 393.531 3.934 20 0 GHADLP CCOC(=O)[C@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCS1 ZINC001172087079 905303143 /nfs/dbraw/zinc/30/31/43/905303143.db2.gz JHRKUEFQVUNVCY-IVAOSVALSA-N 2 2 388.577 3.553 20 0 GHADLP CCOC(=O)[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCS1 ZINC001172087079 905303165 /nfs/dbraw/zinc/30/31/65/905303165.db2.gz JHRKUEFQVUNVCY-IVAOSVALSA-N 2 2 388.577 3.553 20 0 GHADLP CCOC(=O)[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCS1 ZINC001172087079 905303177 /nfs/dbraw/zinc/30/31/77/905303177.db2.gz JHRKUEFQVUNVCY-IVAOSVALSA-N 2 2 388.577 3.553 20 0 GHADLP CCOC(=O)[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCS1 ZINC001172087079 905303197 /nfs/dbraw/zinc/30/31/97/905303197.db2.gz JHRKUEFQVUNVCY-IVAOSVALSA-N 2 2 388.577 3.553 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]Cc2cc(OC4COC4)ccn2)C3)cc1 ZINC001172064623 905328710 /nfs/dbraw/zinc/32/87/10/905328710.db2.gz IJSDRYSXKPYSQZ-MMVMTREESA-N 2 2 393.531 3.535 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]Cc2cc(OC4COC4)ccn2)C3)cc1 ZINC001172064623 905328725 /nfs/dbraw/zinc/32/87/25/905328725.db2.gz IJSDRYSXKPYSQZ-MMVMTREESA-N 2 2 393.531 3.535 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3cccc(Br)c3)CC1)C2 ZINC001172126857 905340494 /nfs/dbraw/zinc/34/04/94/905340494.db2.gz YVFHZNGWBSUZTR-IZZQQSIFSA-N 2 2 378.358 3.586 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3cccc(Br)c3)CC1)C2 ZINC001172126857 905340506 /nfs/dbraw/zinc/34/05/06/905340506.db2.gz YVFHZNGWBSUZTR-IZZQQSIFSA-N 2 2 378.358 3.586 20 0 GHADLP c1ccc(N([C@@H]2COC3(C2)CC[NH2+]CC3)[C@@H]2CSc3ccccc3C2)[nH+]c1 ZINC001172202165 905398388 /nfs/dbraw/zinc/39/83/88/905398388.db2.gz DBZKFOCYLFUYBK-OALUTQOASA-N 2 2 381.545 3.516 20 0 GHADLP CCCCCC[C@@H](CCCC)[N@@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001172514260 905608983 /nfs/dbraw/zinc/60/89/83/905608983.db2.gz SHOIFGVEJQKKPJ-JOCHJYFZSA-N 2 2 389.632 3.975 20 0 GHADLP CCCCCC[C@@H](CCCC)[N@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001172514260 905608996 /nfs/dbraw/zinc/60/89/96/905608996.db2.gz SHOIFGVEJQKKPJ-JOCHJYFZSA-N 2 2 389.632 3.975 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@H](C)Cc3ccc(F)cc3Cl)CC2)C1 ZINC001172870740 905942254 /nfs/dbraw/zinc/94/22/54/905942254.db2.gz CMLXTHMNRGAMTI-WBVHZDCISA-N 2 2 396.934 3.760 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H](C)Cc3ccc(F)cc3Cl)CC2)C1 ZINC001172870740 905942284 /nfs/dbraw/zinc/94/22/84/905942284.db2.gz CMLXTHMNRGAMTI-WBVHZDCISA-N 2 2 396.934 3.760 20 0 GHADLP c1nc(C2CC2)oc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000628295809 906044301 /nfs/dbraw/zinc/04/43/01/906044301.db2.gz LHKBZWPHGAZIGV-FQEVSTJZSA-N 2 2 381.520 3.570 20 0 GHADLP c1nc(C2CC2)oc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000628295809 906044322 /nfs/dbraw/zinc/04/43/22/906044322.db2.gz LHKBZWPHGAZIGV-FQEVSTJZSA-N 2 2 381.520 3.570 20 0 GHADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001172960680 906070402 /nfs/dbraw/zinc/07/04/02/906070402.db2.gz XMLPJLCTJSOQDQ-MRXNPFEDSA-N 2 2 379.520 3.721 20 0 GHADLP COc1cccc2c1C[C@H]([N@@H+]1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)CO2 ZINC001173166607 906224856 /nfs/dbraw/zinc/22/48/56/906224856.db2.gz UNKGNDXMKHEXMR-GBXCKJPGSA-N 2 2 378.516 3.597 20 0 GHADLP COc1cccc2c1C[C@H]([N@H+]1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)CO2 ZINC001173166607 906224872 /nfs/dbraw/zinc/22/48/72/906224872.db2.gz UNKGNDXMKHEXMR-GBXCKJPGSA-N 2 2 378.516 3.597 20 0 GHADLP COc1cccc2c1C[C@H]([NH+]1CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C1)CO2 ZINC001173166607 906224887 /nfs/dbraw/zinc/22/48/87/906224887.db2.gz UNKGNDXMKHEXMR-GBXCKJPGSA-N 2 2 378.516 3.597 20 0 GHADLP COc1cccc2c1C[C@H]([NH+]1CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C1)CO2 ZINC001173166607 906224904 /nfs/dbraw/zinc/22/49/04/906224904.db2.gz UNKGNDXMKHEXMR-GBXCKJPGSA-N 2 2 378.516 3.597 20 0 GHADLP COc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](Cc3cccc(F)c3C)CC1)CO2 ZINC001173149437 906236004 /nfs/dbraw/zinc/23/60/04/906236004.db2.gz DDBORZQQVOPORQ-LJQANCHMSA-N 2 2 384.495 3.700 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(Br)ccc1F ZINC000178469223 906346166 /nfs/dbraw/zinc/34/61/66/906346166.db2.gz VXICJGJXCYGKSN-KBPBESRZSA-N 2 2 385.321 3.740 20 0 GHADLP O=C(c1ccc(Cl)cc1)N1CCC([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC1 ZINC001173411320 906439059 /nfs/dbraw/zinc/43/90/59/906439059.db2.gz ZOMOKMOCRYZUGQ-UHFFFAOYSA-N 2 2 397.950 3.666 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1nc2ccc(Cl)cc2n1C ZINC000180193347 906712327 /nfs/dbraw/zinc/71/23/27/906712327.db2.gz ZCNJWRCDHGGSNE-DCPHZVHLSA-N 2 2 390.959 3.645 20 0 GHADLP [NH3+]C1(C[NH2+][C@@H](c2ccccc2)c2cccc(Br)c2)CCOCC1 ZINC000629521493 906854270 /nfs/dbraw/zinc/85/42/70/906854270.db2.gz RGGQQYNGYFENNK-SFHVURJKSA-N 2 2 375.310 3.636 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000629531152 906857060 /nfs/dbraw/zinc/85/70/60/906857060.db2.gz BIXDBGOWNIXGLS-XNRPHZJLSA-N 2 2 385.371 3.733 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000181589012 907032270 /nfs/dbraw/zinc/03/22/70/907032270.db2.gz ZFKGIMRVSQACND-OALUTQOASA-N 2 2 383.536 3.983 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000181588720 907032670 /nfs/dbraw/zinc/03/26/70/907032670.db2.gz CEWKHPNTYNKUGT-QZTJIDSGSA-N 2 2 376.508 3.539 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000182909447 907287932 /nfs/dbraw/zinc/28/79/32/907287932.db2.gz LDTUFVYHIAUMLR-ROUUACIJSA-N 2 2 388.556 3.501 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000182909447 907287946 /nfs/dbraw/zinc/28/79/46/907287946.db2.gz LDTUFVYHIAUMLR-ROUUACIJSA-N 2 2 388.556 3.501 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000182909408 907288073 /nfs/dbraw/zinc/28/80/73/907288073.db2.gz LDTUFVYHIAUMLR-ZWKOTPCHSA-N 2 2 388.556 3.501 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000182909408 907288088 /nfs/dbraw/zinc/28/80/88/907288088.db2.gz LDTUFVYHIAUMLR-ZWKOTPCHSA-N 2 2 388.556 3.501 20 0 GHADLP CSc1ccsc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183669119 907432447 /nfs/dbraw/zinc/43/24/47/907432447.db2.gz AHZYBJNNZAEHNI-SJORKVTESA-N 2 2 395.638 3.879 20 0 GHADLP CSc1ccsc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183669119 907432454 /nfs/dbraw/zinc/43/24/54/907432454.db2.gz AHZYBJNNZAEHNI-SJORKVTESA-N 2 2 395.638 3.879 20 0 GHADLP CCC1([NH+](C)C)CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000631496766 907733009 /nfs/dbraw/zinc/73/30/09/907733009.db2.gz FRTILIIEDMTGDB-INIZCTEOSA-N 2 2 393.601 3.713 20 0 GHADLP CCC1([NH+](C)C)CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000631496766 907733011 /nfs/dbraw/zinc/73/30/11/907733011.db2.gz FRTILIIEDMTGDB-INIZCTEOSA-N 2 2 393.601 3.713 20 0 GHADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001175770432 907736079 /nfs/dbraw/zinc/73/60/79/907736079.db2.gz ZTPUWNMSGFSSFF-QGZVFWFLSA-N 2 2 395.938 3.999 20 0 GHADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001175770432 907736087 /nfs/dbraw/zinc/73/60/87/907736087.db2.gz ZTPUWNMSGFSSFF-QGZVFWFLSA-N 2 2 395.938 3.999 20 0 GHADLP COc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000631631787 907782927 /nfs/dbraw/zinc/78/29/27/907782927.db2.gz LPKZFRQYRAHCSW-XMMPIXPASA-N 2 2 393.531 3.895 20 0 GHADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001176070819 907901199 /nfs/dbraw/zinc/90/11/99/907901199.db2.gz QKQFSIXDQOCDAQ-VQTJNVASSA-N 2 2 385.552 3.648 20 0 GHADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001176070819 907901204 /nfs/dbraw/zinc/90/12/04/907901204.db2.gz QKQFSIXDQOCDAQ-VQTJNVASSA-N 2 2 385.552 3.648 20 0 GHADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001176070819 907901209 /nfs/dbraw/zinc/90/12/09/907901209.db2.gz QKQFSIXDQOCDAQ-VQTJNVASSA-N 2 2 385.552 3.648 20 0 GHADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001176070819 907901214 /nfs/dbraw/zinc/90/12/14/907901214.db2.gz QKQFSIXDQOCDAQ-VQTJNVASSA-N 2 2 385.552 3.648 20 0 GHADLP Cc1[nH]c(C2CC[NH+]([C@@H]3CCN(c4ccc(Cl)cc4F)C3=O)CC2)[nH+]c1C ZINC001176201251 907980251 /nfs/dbraw/zinc/98/02/51/907980251.db2.gz FXHXZWUPCFOTAQ-GOSISDBHSA-N 2 2 390.890 3.804 20 0 GHADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001176281705 908012573 /nfs/dbraw/zinc/01/25/73/908012573.db2.gz OWFXISWNXZQVQE-QFIPXVFZSA-N 3 2 392.591 3.937 20 0 GHADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001176281705 908012590 /nfs/dbraw/zinc/01/25/90/908012590.db2.gz OWFXISWNXZQVQE-QFIPXVFZSA-N 3 2 392.591 3.937 20 0 GHADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nc(-c4ccccc4Cl)cs3)C2)CC1 ZINC000187002594 908018130 /nfs/dbraw/zinc/01/81/30/908018130.db2.gz MRVJLYQEMPWFBS-INIZCTEOSA-N 2 2 390.984 3.675 20 0 GHADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc(-c4ccccc4Cl)cs3)C2)CC1 ZINC000187002594 908018142 /nfs/dbraw/zinc/01/81/42/908018142.db2.gz MRVJLYQEMPWFBS-INIZCTEOSA-N 2 2 390.984 3.675 20 0 GHADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nc(-c2ccccc2Cl)cs1 ZINC000187367141 908081129 /nfs/dbraw/zinc/08/11/29/908081129.db2.gz MXWQYVYHRKJLRR-UHFFFAOYSA-N 2 2 378.973 3.533 20 0 GHADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nc(-c2ccccc2Cl)cs1 ZINC000187367141 908081141 /nfs/dbraw/zinc/08/11/41/908081141.db2.gz MXWQYVYHRKJLRR-UHFFFAOYSA-N 2 2 378.973 3.533 20 0 GHADLP CC[C@H](C)Oc1cccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000299499168 921380597 /nfs/dbraw/zinc/38/05/97/921380597.db2.gz RLQRCKCHCJEYEQ-KRWDZBQOSA-N 2 2 388.556 3.544 20 0 GHADLP C[C@@H]1CC[C@@](CO)([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc21 ZINC001176933407 908308189 /nfs/dbraw/zinc/30/81/89/908308189.db2.gz WZUYGRMOBHZABC-BWKNWUBXSA-N 2 2 393.575 3.573 20 0 GHADLP Cn1c[nH+]cc1C1CC[NH+](CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC001176977941 908344718 /nfs/dbraw/zinc/34/47/18/908344718.db2.gz OHLACMNPNZKFPO-UHFFFAOYSA-N 2 2 375.900 3.657 20 0 GHADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001177046420 908382083 /nfs/dbraw/zinc/38/20/83/908382083.db2.gz RKBDUXCFDAUVHT-LEWJYISDSA-N 2 2 375.532 3.541 20 0 GHADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001177046420 908382100 /nfs/dbraw/zinc/38/21/00/908382100.db2.gz RKBDUXCFDAUVHT-LEWJYISDSA-N 2 2 375.532 3.541 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3c(Cl)n[nH]c3C3CC3)cc2)C[C@H](C)O1 ZINC001177245514 908483642 /nfs/dbraw/zinc/48/36/42/908483642.db2.gz UKJDBRLPARLDJG-GASCZTMLSA-N 2 2 388.943 3.840 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3c(Cl)n[nH]c3C3CC3)cc2)C[C@H](C)O1 ZINC001177245514 908483650 /nfs/dbraw/zinc/48/36/50/908483650.db2.gz UKJDBRLPARLDJG-GASCZTMLSA-N 2 2 388.943 3.840 20 0 GHADLP CCN(CC)c1ccc(NCc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)c[nH+]1 ZINC001178254660 908954829 /nfs/dbraw/zinc/95/48/29/908954829.db2.gz VCXJKMLJUVLIBX-UHFFFAOYSA-N 2 2 392.450 3.923 20 0 GHADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000635747020 909338891 /nfs/dbraw/zinc/33/88/91/909338891.db2.gz OIEZZOPISIAXNI-BEFAXECRSA-N 2 2 392.906 3.608 20 0 GHADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000635747020 909338910 /nfs/dbraw/zinc/33/89/10/909338910.db2.gz OIEZZOPISIAXNI-BEFAXECRSA-N 2 2 392.906 3.608 20 0 GHADLP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]CCn3cc[nH+]c3)s2)cc1OC ZINC000268740810 909992844 /nfs/dbraw/zinc/99/28/44/909992844.db2.gz SBCNCTUQBHPJCX-AWEZNQCLSA-N 2 2 386.521 3.607 20 0 GHADLP CC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(F)ccc1F ZINC000268783284 910014237 /nfs/dbraw/zinc/01/42/37/910014237.db2.gz AIPLVJQGKHVZBH-NRFANRHFSA-N 2 2 387.474 3.593 20 0 GHADLP CC(C)(O)C[NH+]1CCC([NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000638827157 910246483 /nfs/dbraw/zinc/24/64/83/910246483.db2.gz BEAZYWZNBBIBGZ-OAQYLSRUSA-N 2 2 387.955 3.844 20 0 GHADLP FC(F)(F)[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)n1cccn1 ZINC000639345115 910393935 /nfs/dbraw/zinc/39/39/35/910393935.db2.gz DQYCGENTQBVZGP-QRQLOZEOSA-N 2 2 378.442 3.944 20 0 GHADLP FC(F)(F)[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)n1cccn1 ZINC000639345115 910393954 /nfs/dbraw/zinc/39/39/54/910393954.db2.gz DQYCGENTQBVZGP-QRQLOZEOSA-N 2 2 378.442 3.944 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)c3ncc(-c4ccccc4)o3)CC2)CC1 ZINC000270854048 910717943 /nfs/dbraw/zinc/71/79/43/910717943.db2.gz HEPCSGNHAWJKAW-IBGZPJMESA-N 2 2 382.552 3.893 20 0 GHADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001181348343 910741364 /nfs/dbraw/zinc/74/13/64/910741364.db2.gz CUZRNTLXFNGZJE-MFKMUULPSA-N 2 2 380.357 3.842 20 0 GHADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001181348343 910741376 /nfs/dbraw/zinc/74/13/76/910741376.db2.gz CUZRNTLXFNGZJE-MFKMUULPSA-N 2 2 380.357 3.842 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000299716637 921617848 /nfs/dbraw/zinc/61/78/48/921617848.db2.gz RKZXXJHOHPAWGO-UHFFFAOYSA-N 2 2 397.548 3.660 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000299716637 921617858 /nfs/dbraw/zinc/61/78/58/921617858.db2.gz RKZXXJHOHPAWGO-UHFFFAOYSA-N 2 2 397.548 3.660 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(=O)N1c2ccccc2C[C@H]1C ZINC001181818755 911021329 /nfs/dbraw/zinc/02/13/29/911021329.db2.gz PJZUJEMZNMGDKG-NXWNEQKCSA-N 2 2 383.580 3.985 20 0 GHADLP COC1(C[NH+]2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)CCCC1 ZINC001182203237 911248888 /nfs/dbraw/zinc/24/88/88/911248888.db2.gz IPEUMHMOSYUMPF-UHFFFAOYSA-N 2 2 391.987 3.886 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000774415033 911722326 /nfs/dbraw/zinc/72/23/26/911722326.db2.gz XJGWZQNIXYBLLS-RHSMWYFYSA-N 2 2 376.932 3.521 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1 ZINC000642437400 912074843 /nfs/dbraw/zinc/07/48/43/912074843.db2.gz VSRSLSSOCMKSRM-GOSISDBHSA-N 2 2 387.553 3.553 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)CC1 ZINC000642529520 912139440 /nfs/dbraw/zinc/13/94/40/912139440.db2.gz XPATUNMSVPAGET-NQIIRXRSSA-N 2 2 383.561 3.790 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccsc2)CC1 ZINC000642529520 912139445 /nfs/dbraw/zinc/13/94/45/912139445.db2.gz XPATUNMSVPAGET-NQIIRXRSSA-N 2 2 383.561 3.790 20 0 GHADLP COc1ccc2cc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)ccc2c1 ZINC000285071147 912149930 /nfs/dbraw/zinc/14/99/30/912149930.db2.gz KDAHAZXMZRWKRC-OARUMGJZSA-N 2 2 395.547 3.583 20 0 GHADLP COc1ccc2cc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)ccc2c1 ZINC000285071147 912149940 /nfs/dbraw/zinc/14/99/40/912149940.db2.gz KDAHAZXMZRWKRC-OARUMGJZSA-N 2 2 395.547 3.583 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000642585959 912192809 /nfs/dbraw/zinc/19/28/09/912192809.db2.gz YBIHAGKHGLZXDC-HSZRJFAPSA-N 2 2 390.531 3.614 20 0 GHADLP O=C(CC[C@@H]1CCC[NH2+]1)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000292012569 915474096 /nfs/dbraw/zinc/47/40/96/915474096.db2.gz DLELOGKHISUTOH-QFIPXVFZSA-N 2 2 388.515 3.747 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292031276 915482864 /nfs/dbraw/zinc/48/28/64/915482864.db2.gz DIXGAKSNANHEDX-MSOLQXFVSA-N 2 2 380.536 3.660 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000648791074 915881357 /nfs/dbraw/zinc/88/13/57/915881357.db2.gz OYYUCXQTUMYZBC-OKZBNKHCSA-N 2 2 384.524 3.645 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000648791074 915881369 /nfs/dbraw/zinc/88/13/69/915881369.db2.gz OYYUCXQTUMYZBC-OKZBNKHCSA-N 2 2 384.524 3.645 20 0 GHADLP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)ccc1Cl ZINC001275727202 916443719 /nfs/dbraw/zinc/44/37/19/916443719.db2.gz GHSGFRRFENKLOA-IBGZPJMESA-N 2 2 384.351 3.512 20 0 GHADLP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)ccc1Cl ZINC001275727202 916443728 /nfs/dbraw/zinc/44/37/28/916443728.db2.gz GHSGFRRFENKLOA-IBGZPJMESA-N 2 2 384.351 3.512 20 0 GHADLP C[NH+](C)C1(CNC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[NH+](C)CC1 ZINC001190421797 917327396 /nfs/dbraw/zinc/32/73/96/917327396.db2.gz JPPSCILHJKDBCD-UHFFFAOYSA-N 2 2 382.508 3.626 20 0 GHADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2cn(-c3ccccc3)nn2)ccc1OC ZINC000775414669 917593780 /nfs/dbraw/zinc/59/37/80/917593780.db2.gz KCSPHMUKLOWEKM-SFHVURJKSA-N 2 2 393.535 3.969 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCc3c(Cl)cccc3Cl)CC2)CC1 ZINC000654657384 919276633 /nfs/dbraw/zinc/27/66/33/919276633.db2.gz DSCZMQMAMXPYHK-UHFFFAOYSA-N 2 2 398.378 3.601 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1Cc2cc(C(F)(F)F)ccc2C1=O ZINC000802741480 922373716 /nfs/dbraw/zinc/37/37/16/922373716.db2.gz UFCLVLLQVJIARM-UHFFFAOYSA-N 2 2 394.441 3.790 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1Cc2cc(C(F)(F)F)ccc2C1=O ZINC000802741480 922373733 /nfs/dbraw/zinc/37/37/33/922373733.db2.gz UFCLVLLQVJIARM-UHFFFAOYSA-N 2 2 394.441 3.790 20 0 GHADLP COc1cc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc(OC)c1OCC(F)F ZINC000367964664 922395016 /nfs/dbraw/zinc/39/50/16/922395016.db2.gz WPCFBZDSPCRPAN-OAHLLOKOSA-N 2 2 395.450 3.520 20 0 GHADLP C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902747921 922458779 /nfs/dbraw/zinc/45/87/79/922458779.db2.gz ZDHZGRDFXHEYCO-QGZVFWFLSA-N 2 2 392.478 3.967 20 0 GHADLP C[C@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902817202 922522748 /nfs/dbraw/zinc/52/27/48/922522748.db2.gz XCJFMEXRRSHRRB-KRWDZBQOSA-N 2 2 380.467 3.699 20 0 GHADLP C[N@H+](Cc1c(-c2ccc(Cl)cc2)nc2sccn12)C1(C[NH3+])CCOCC1 ZINC000903809796 923308050 /nfs/dbraw/zinc/30/80/50/923308050.db2.gz LQODZRURPWOHEN-UHFFFAOYSA-N 2 2 390.940 3.656 20 0 GHADLP C[N@@H+](Cc1c(-c2ccc(Cl)cc2)nc2sccn12)C1(C[NH3+])CCOCC1 ZINC000903809796 923308069 /nfs/dbraw/zinc/30/80/69/923308069.db2.gz LQODZRURPWOHEN-UHFFFAOYSA-N 2 2 390.940 3.656 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3csc(Br)c3)CC2)CC1 ZINC000370688872 924258863 /nfs/dbraw/zinc/25/88/63/924258863.db2.gz HSGRHLMYLWLHSM-UHFFFAOYSA-N 2 2 386.403 3.501 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]CC1=Cc3cc(Br)ccc3OC1)CCC2 ZINC000371069703 924414871 /nfs/dbraw/zinc/41/48/71/924414871.db2.gz PEBCBNGJYUYNMJ-HNNXBMFYSA-N 2 2 388.309 3.897 20 0 GHADLP CC[N@H+](CCCC1CC[NH+]([C@H](C)c2nc(C)no2)CC1)[C@@H](C)c1nc(C)no1 ZINC000677992592 924572925 /nfs/dbraw/zinc/57/29/25/924572925.db2.gz MAVHCFYOYQZOIT-LSDHHAIUSA-N 2 2 390.532 3.706 20 0 GHADLP CC[N@@H+](CCCC1CC[NH+]([C@H](C)c2nc(C)no2)CC1)[C@@H](C)c1nc(C)no1 ZINC000677992592 924572932 /nfs/dbraw/zinc/57/29/32/924572932.db2.gz MAVHCFYOYQZOIT-LSDHHAIUSA-N 2 2 390.532 3.706 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2c[nH]c4ccc(F)cc24)CC3)cn1 ZINC001137336506 924753471 /nfs/dbraw/zinc/75/34/71/924753471.db2.gz CJQYIXUOGTZWJV-UHFFFAOYSA-N 2 2 381.499 3.671 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2c[nH]c4ccc(F)cc24)CC3)cn1 ZINC001137336506 924753477 /nfs/dbraw/zinc/75/34/77/924753477.db2.gz CJQYIXUOGTZWJV-UHFFFAOYSA-N 2 2 381.499 3.671 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)c(C)c1 ZINC000678603966 924836879 /nfs/dbraw/zinc/83/68/79/924836879.db2.gz RBUVNFGWLAQDEE-PGRDOPGGSA-N 2 2 387.491 3.568 20 0 GHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@]3(CO)CCCN(Cc4ccccc4)C3)CC2)C1 ZINC000679042405 925007050 /nfs/dbraw/zinc/00/70/50/925007050.db2.gz BFXGGLQFGTZLGY-NQHRYMMQSA-N 2 2 399.623 3.646 20 0 GHADLP CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000372485104 925471081 /nfs/dbraw/zinc/47/10/81/925471081.db2.gz ASQGKVCXNYLCDF-WOJBJXKFSA-N 2 2 392.975 3.601 20 0 GHADLP CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000372485104 925471085 /nfs/dbraw/zinc/47/10/85/925471085.db2.gz ASQGKVCXNYLCDF-WOJBJXKFSA-N 2 2 392.975 3.601 20 0 GHADLP CC1CC[NH+](Cc2ccc(CNC(=O)NCCCNc3cccc[nH+]3)cc2)CC1 ZINC000410349211 925565868 /nfs/dbraw/zinc/56/58/68/925565868.db2.gz PCMDCLOTKNUPJS-UHFFFAOYSA-N 2 2 395.551 3.615 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)c1cccc(C(F)(F)F)c1 ZINC000681099826 925724013 /nfs/dbraw/zinc/72/40/13/925724013.db2.gz MOGWDENPBWJTCH-INIZCTEOSA-N 2 2 391.397 3.778 20 0 GHADLP CC[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000681219530 925764556 /nfs/dbraw/zinc/76/45/56/925764556.db2.gz YDJPFKHCAMXWFI-JKSUJKDBSA-N 2 2 399.004 3.663 20 0 GHADLP CC[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000681219530 925764572 /nfs/dbraw/zinc/76/45/72/925764572.db2.gz YDJPFKHCAMXWFI-JKSUJKDBSA-N 2 2 399.004 3.663 20 0 GHADLP O[C@H]1CCC[C@@]1(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)Cc1ccc(F)cc1 ZINC000372994086 925805410 /nfs/dbraw/zinc/80/54/10/925805410.db2.gz AFYYPOLFFCFMOE-ZEQRLZLVSA-N 2 2 397.538 3.549 20 0 GHADLP CN(C(=O)CCCCCc1ccc(F)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681730295 925895547 /nfs/dbraw/zinc/89/55/47/925895547.db2.gz NEFGUYXIUOKXKX-JOCHJYFZSA-N 2 2 389.559 3.556 20 0 GHADLP CN(C(=O)CCCCCc1ccc(F)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681730295 925895555 /nfs/dbraw/zinc/89/55/55/925895555.db2.gz NEFGUYXIUOKXKX-JOCHJYFZSA-N 2 2 389.559 3.556 20 0 GHADLP Cn1cc[nH+]c1C[C@H](NC(=O)Nc1ccccc1CC[NH+](C)C)c1ccccc1 ZINC000682107126 926013718 /nfs/dbraw/zinc/01/37/18/926013718.db2.gz LVKQTXSRNFPBFO-NRFANRHFSA-N 2 2 391.519 3.630 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)CCC2 ZINC000374576454 927302635 /nfs/dbraw/zinc/30/26/35/927302635.db2.gz PHZQOFPGBCDSNO-MAUKXSAKSA-N 2 2 388.943 3.749 20 0 GHADLP Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000750386340 927595975 /nfs/dbraw/zinc/59/59/75/927595975.db2.gz DVHATRZXEQLNSR-PKOBYXMFSA-N 2 2 381.524 3.631 20 0 GHADLP Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000750386340 927595980 /nfs/dbraw/zinc/59/59/80/927595980.db2.gz DVHATRZXEQLNSR-PKOBYXMFSA-N 2 2 381.524 3.631 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000751083783 928019601 /nfs/dbraw/zinc/01/96/01/928019601.db2.gz DEPOUXQAUFXRHB-PXNSSMCTSA-N 2 2 396.535 3.559 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000751083783 928019614 /nfs/dbraw/zinc/01/96/14/928019614.db2.gz DEPOUXQAUFXRHB-PXNSSMCTSA-N 2 2 396.535 3.559 20 0 GHADLP Brc1cccc(C[N@H+](CCCn2cc[nH+]c2)C2CCOCC2)c1 ZINC000467292410 928923614 /nfs/dbraw/zinc/92/36/14/928923614.db2.gz UBGBICRYDJUJPX-UHFFFAOYSA-N 2 2 378.314 3.717 20 0 GHADLP Brc1cccc(C[N@@H+](CCCn2cc[nH+]c2)C2CCOCC2)c1 ZINC000467292410 928923616 /nfs/dbraw/zinc/92/36/16/928923616.db2.gz UBGBICRYDJUJPX-UHFFFAOYSA-N 2 2 378.314 3.717 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000544348767 929080010 /nfs/dbraw/zinc/08/00/10/929080010.db2.gz PDFLCKOAYCZQGF-UHFFFAOYSA-N 2 2 395.482 3.954 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000544348767 929080017 /nfs/dbraw/zinc/08/00/17/929080017.db2.gz PDFLCKOAYCZQGF-UHFFFAOYSA-N 2 2 395.482 3.954 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1nc(C(F)(F)F)cs1 ZINC000467636182 929262620 /nfs/dbraw/zinc/26/26/20/929262620.db2.gz OSWKKRNJJVHTLV-WFASDCNBSA-N 2 2 385.455 3.579 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1nc(C(F)(F)F)cs1 ZINC000467636182 929262627 /nfs/dbraw/zinc/26/26/27/929262627.db2.gz OSWKKRNJJVHTLV-WFASDCNBSA-N 2 2 385.455 3.579 20 0 GHADLP C[C@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[NH+]1CCCCC1 ZINC000757908136 929850967 /nfs/dbraw/zinc/85/09/67/929850967.db2.gz KMHQIVMYIHHGLV-QGZVFWFLSA-N 2 2 379.508 3.598 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000547509428 931080565 /nfs/dbraw/zinc/08/05/65/931080565.db2.gz VFJRKAPWWNAWHE-UIFIKXQLSA-N 2 2 397.950 3.946 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000547509428 931080573 /nfs/dbraw/zinc/08/05/73/931080573.db2.gz VFJRKAPWWNAWHE-UIFIKXQLSA-N 2 2 397.950 3.946 20 0 GHADLP CSc1ccccc1C[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000471031279 931106860 /nfs/dbraw/zinc/10/68/60/931106860.db2.gz WVKZMRIMBLMBLV-GHTZIAJQSA-N 2 2 397.588 3.620 20 0 GHADLP CSc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000471031279 931106863 /nfs/dbraw/zinc/10/68/63/931106863.db2.gz WVKZMRIMBLMBLV-GHTZIAJQSA-N 2 2 397.588 3.620 20 0 GHADLP CSc1ccccc1C[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471031279 931106870 /nfs/dbraw/zinc/10/68/70/931106870.db2.gz WVKZMRIMBLMBLV-GHTZIAJQSA-N 2 2 397.588 3.620 20 0 GHADLP CSc1ccccc1C[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471031279 931106873 /nfs/dbraw/zinc/10/68/73/931106873.db2.gz WVKZMRIMBLMBLV-GHTZIAJQSA-N 2 2 397.588 3.620 20 0 GHADLP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924630040 931454611 /nfs/dbraw/zinc/45/46/11/931454611.db2.gz VSOQXKRAARNCCL-JOCHJYFZSA-N 2 2 378.520 3.533 20 0 GHADLP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924663145 931466998 /nfs/dbraw/zinc/46/69/98/931466998.db2.gz YXHKIRKKRNOOOO-XMMPIXPASA-N 2 2 392.547 3.925 20 0 GHADLP CCN1CC[NH+](CCCC[NH2+][C@@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924663145 931467003 /nfs/dbraw/zinc/46/70/03/931467003.db2.gz YXHKIRKKRNOOOO-XMMPIXPASA-N 2 2 392.547 3.925 20 0 GHADLP C[C@@]1(c2ccccc2)CC(=O)N(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000777538245 931568476 /nfs/dbraw/zinc/56/84/76/931568476.db2.gz NBDXLMGSYBMCCI-HSZRJFAPSA-N 2 2 380.536 3.523 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2cn3c(n2)CCCC3)CC1 ZINC000924962345 931595523 /nfs/dbraw/zinc/59/55/23/931595523.db2.gz SFNPAHHPQKAPMB-ZWKOTPCHSA-N 2 2 399.558 3.912 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+][C@H](C)C2(Br)CC2)CCOCC1)c1ccccc1 ZINC000925109793 931650128 /nfs/dbraw/zinc/65/01/28/931650128.db2.gz FWLOUHIVEVSVMY-HZPDHXFCSA-N 2 2 381.358 3.792 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000925180650 931692608 /nfs/dbraw/zinc/69/26/08/931692608.db2.gz RMNQRONAFZJTDF-RLLQIKCJSA-N 2 2 398.551 3.987 20 0 GHADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000783977596 931737546 /nfs/dbraw/zinc/73/75/46/931737546.db2.gz VANPTQILEKFLDL-ICSRJNTNSA-N 2 2 380.536 3.828 20 0 GHADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000783977596 931737550 /nfs/dbraw/zinc/73/75/50/931737550.db2.gz VANPTQILEKFLDL-ICSRJNTNSA-N 2 2 380.536 3.828 20 0 GHADLP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)n(C)n1 ZINC000925592649 931834259 /nfs/dbraw/zinc/83/42/59/931834259.db2.gz YEVKAGQMPKXLKC-LEDOBFOHSA-N 2 2 381.568 3.650 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1C[NH2+]CC3(CCOCC3)C1)CCS2 ZINC000925794744 931905528 /nfs/dbraw/zinc/90/55/28/931905528.db2.gz IXDVWZDIPYENQE-GDBMZVCRSA-N 2 2 397.382 3.734 20 0 GHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(C[NH+](C)C)c1 ZINC000925905964 931951234 /nfs/dbraw/zinc/95/12/34/931951234.db2.gz MOJIWVNSCCQJKX-SFHVURJKSA-N 3 2 381.568 3.847 20 0 GHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000558460204 932014270 /nfs/dbraw/zinc/01/42/70/932014270.db2.gz POKNGFZLVWVPRD-SJCJKPOMSA-N 2 2 379.957 3.878 20 0 GHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000558460204 932014273 /nfs/dbraw/zinc/01/42/73/932014273.db2.gz POKNGFZLVWVPRD-SJCJKPOMSA-N 2 2 379.957 3.878 20 0 GHADLP CC(C)COC(=O)N1CCC([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000796779537 932063847 /nfs/dbraw/zinc/06/38/47/932063847.db2.gz FDAKSGINTXWOLC-HXUWFJFHSA-N 2 2 384.524 3.551 20 0 GHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1)[NH+](C)C ZINC000558572017 932080224 /nfs/dbraw/zinc/08/02/24/932080224.db2.gz QWLWCCOGOPHYAS-DVECYGJZSA-N 2 2 390.531 3.590 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)[C@@H](C2CCCC2)C1 ZINC000926230407 932091315 /nfs/dbraw/zinc/09/13/15/932091315.db2.gz UGAKHFLSUWMTTF-QRVBRYPASA-N 2 2 388.556 3.603 20 0 GHADLP c1cc2c(nc[nH+]c2NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)[nH]1 ZINC000559186912 932496718 /nfs/dbraw/zinc/49/67/18/932496718.db2.gz GSXMFABTSJXCEI-SFHVURJKSA-N 2 2 375.501 3.653 20 0 GHADLP c1cc2c(nc[nH+]c2NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)[nH]1 ZINC000559186912 932496729 /nfs/dbraw/zinc/49/67/29/932496729.db2.gz GSXMFABTSJXCEI-SFHVURJKSA-N 2 2 375.501 3.653 20 0 GHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)C[C@@H]1c1ccccc1 ZINC000559738626 932828244 /nfs/dbraw/zinc/82/82/44/932828244.db2.gz CTNFHGNEBNVEPN-QZTJIDSGSA-N 2 2 379.426 3.948 20 0 GHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)C[C@@H]1c1ccccc1 ZINC000559738626 932828249 /nfs/dbraw/zinc/82/82/49/932828249.db2.gz CTNFHGNEBNVEPN-QZTJIDSGSA-N 2 2 379.426 3.948 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COc1cccc(C(F)(F)F)c1 ZINC001116065779 933315130 /nfs/dbraw/zinc/31/51/30/933315130.db2.gz HFWZWSHNXDOLMY-UHFFFAOYSA-N 2 2 376.338 3.612 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2 ZINC001116067056 933315824 /nfs/dbraw/zinc/31/58/24/933315824.db2.gz FXCYNBZGOIOOCU-UHFFFAOYSA-N 2 2 398.470 3.811 20 0 GHADLP C[C@@H](c1cccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000560742794 933519475 /nfs/dbraw/zinc/51/94/75/933519475.db2.gz FYIALKFLCQDDSX-AVRDEDQJSA-N 2 2 396.535 3.504 20 0 GHADLP CN1CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC001117697083 933986307 /nfs/dbraw/zinc/98/63/07/933986307.db2.gz GYHNZOVSWJRQTJ-ZEQRLZLVSA-N 2 2 396.554 3.896 20 0 GHADLP COc1ccc(C([NH2+]C2CC[NH+](CC(C)(C)O)CC2)c2ccc(OC)cc2)cc1 ZINC001119242522 934317686 /nfs/dbraw/zinc/31/76/86/934317686.db2.gz CKMOULSRBWKQIX-UHFFFAOYSA-N 2 2 398.547 3.618 20 0 GHADLP C[C@H](c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)cc1)[NH+]1CCOCC1 ZINC000932073182 934816302 /nfs/dbraw/zinc/81/63/02/934816302.db2.gz LNJSCKBBMRIAPT-GOSISDBHSA-N 2 2 397.519 3.911 20 0 GHADLP Clc1cncc(Cl)c1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001137605188 935620248 /nfs/dbraw/zinc/62/02/48/935620248.db2.gz ITSOEBRHRMZCIR-UHFFFAOYSA-N 2 2 396.318 3.848 20 0 GHADLP Clc1cncc(Cl)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001137605188 935620251 /nfs/dbraw/zinc/62/02/51/935620251.db2.gz ITSOEBRHRMZCIR-UHFFFAOYSA-N 2 2 396.318 3.848 20 0 GHADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC001205916898 1033634348 /nfs/dbraw/zinc/63/43/48/1033634348.db2.gz WGPBHTIRVPAQPX-JQWIXIFHSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC001205916898 1033634353 /nfs/dbraw/zinc/63/43/53/1033634353.db2.gz WGPBHTIRVPAQPX-JQWIXIFHSA-N 2 2 381.236 3.907 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C[C@@H]1C ZINC000468394496 1015661989 /nfs/dbraw/zinc/66/19/89/1015661989.db2.gz ZHHURYRAQZOPAT-LAUBAEHRSA-N 2 2 384.568 3.861 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C[C@@H]1C ZINC000468394496 1015661997 /nfs/dbraw/zinc/66/19/97/1015661997.db2.gz ZHHURYRAQZOPAT-LAUBAEHRSA-N 2 2 384.568 3.861 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C[C@@H]1C ZINC000468394496 1015662004 /nfs/dbraw/zinc/66/20/04/1015662004.db2.gz ZHHURYRAQZOPAT-LAUBAEHRSA-N 2 2 384.568 3.861 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C[C@@H]1C ZINC000468394496 1015662011 /nfs/dbraw/zinc/66/20/11/1015662011.db2.gz ZHHURYRAQZOPAT-LAUBAEHRSA-N 2 2 384.568 3.861 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCc2sccc2C1 ZINC000468501926 1015758274 /nfs/dbraw/zinc/75/82/74/1015758274.db2.gz OGSIPDOLBHNAEL-NQIIRXRSSA-N 2 2 397.588 3.666 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCc2sccc2C1 ZINC000468501926 1015758281 /nfs/dbraw/zinc/75/82/81/1015758281.db2.gz OGSIPDOLBHNAEL-NQIIRXRSSA-N 2 2 397.588 3.666 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000468501926 1015758287 /nfs/dbraw/zinc/75/82/87/1015758287.db2.gz OGSIPDOLBHNAEL-NQIIRXRSSA-N 2 2 397.588 3.666 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000468501926 1015758294 /nfs/dbraw/zinc/75/82/94/1015758294.db2.gz OGSIPDOLBHNAEL-NQIIRXRSSA-N 2 2 397.588 3.666 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000468790212 1016032154 /nfs/dbraw/zinc/03/21/54/1016032154.db2.gz BINVIDVTYXJTFL-UHFFFAOYSA-N 2 2 376.504 3.951 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000468790212 1016032161 /nfs/dbraw/zinc/03/21/61/1016032161.db2.gz BINVIDVTYXJTFL-UHFFFAOYSA-N 2 2 376.504 3.951 20 0 GHADLP CCCN(CCC[NH+](C)C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000469042812 1016366624 /nfs/dbraw/zinc/36/66/24/1016366624.db2.gz SEOMEFHBDTWESV-MRXNPFEDSA-N 2 2 381.590 3.571 20 0 GHADLP CCCN(CCC[NH+](C)C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000469042812 1016366636 /nfs/dbraw/zinc/36/66/36/1016366636.db2.gz SEOMEFHBDTWESV-MRXNPFEDSA-N 2 2 381.590 3.571 20 0 GHADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](CCSc2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000545866955 1016548033 /nfs/dbraw/zinc/54/80/33/1016548033.db2.gz HQECYFHGPHDYEJ-NHCUHLMSSA-N 2 2 392.515 3.845 20 0 GHADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](CCSc2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000545866955 1016548039 /nfs/dbraw/zinc/54/80/39/1016548039.db2.gz HQECYFHGPHDYEJ-NHCUHLMSSA-N 2 2 392.515 3.845 20 0 GHADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000470623284 1016842243 /nfs/dbraw/zinc/84/22/43/1016842243.db2.gz HUCKALQSJMRSEA-UHFFFAOYSA-N 2 2 382.533 3.918 20 0 GHADLP C[NH+]1CCN(c2cccc(N[C@@H]3CCCC[C@H]3OCc3ccccc3)[nH+]2)CC1 ZINC001154716515 1032252962 /nfs/dbraw/zinc/25/29/62/1032252962.db2.gz LPIDJHKVTOQINY-NHCUHLMSSA-N 2 2 380.536 3.773 20 0 GHADLP O=C(N[C@H](CC1CC[NH2+]CC1)c1ccccc1F)c1ccccc1-n1cc[nH+]c1 ZINC001221210005 1032333010 /nfs/dbraw/zinc/33/30/10/1032333010.db2.gz CRHYACSJEONXIW-OAQYLSRUSA-N 2 2 392.478 3.872 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)cc1 ZINC001204166379 1032618209 /nfs/dbraw/zinc/61/82/09/1032618209.db2.gz MZVJSCOWEXIZBG-UHFFFAOYSA-N 2 2 382.552 3.613 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)cc1 ZINC001204166379 1032618223 /nfs/dbraw/zinc/61/82/23/1032618223.db2.gz MZVJSCOWEXIZBG-UHFFFAOYSA-N 2 2 382.552 3.613 20 0 GHADLP CC(C)c1ccc(C[N@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)cc1 ZINC001204166379 1032618228 /nfs/dbraw/zinc/61/82/28/1032618228.db2.gz MZVJSCOWEXIZBG-UHFFFAOYSA-N 2 2 382.552 3.613 20 0 GHADLP CC(C)c1ccc(C[N@@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)cc1 ZINC001204166379 1032618233 /nfs/dbraw/zinc/61/82/33/1032618233.db2.gz MZVJSCOWEXIZBG-UHFFFAOYSA-N 2 2 382.552 3.613 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1c(F)cccc1F)CC2 ZINC001204200051 1032652322 /nfs/dbraw/zinc/65/23/22/1032652322.db2.gz HLWUQHNRBKYXSQ-GOSISDBHSA-N 2 2 387.474 3.615 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1c(F)cccc1F)CC2 ZINC001204200051 1032652334 /nfs/dbraw/zinc/65/23/34/1032652334.db2.gz HLWUQHNRBKYXSQ-GOSISDBHSA-N 2 2 387.474 3.615 20 0 GHADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000562064704 1018023764 /nfs/dbraw/zinc/02/37/64/1018023764.db2.gz LOOJRAFXVGMCMG-MBSDFSHPSA-N 2 2 375.520 3.829 20 0 GHADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000562064704 1018023779 /nfs/dbraw/zinc/02/37/79/1018023779.db2.gz LOOJRAFXVGMCMG-MBSDFSHPSA-N 2 2 375.520 3.829 20 0 GHADLP Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932622997 1018539242 /nfs/dbraw/zinc/53/92/42/1018539242.db2.gz TWFAHWHTLCRSRO-LJQANCHMSA-N 2 2 377.532 3.560 20 0 GHADLP Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932622997 1018539251 /nfs/dbraw/zinc/53/92/51/1018539251.db2.gz TWFAHWHTLCRSRO-LJQANCHMSA-N 2 2 377.532 3.560 20 0 GHADLP C[NH+](C)[C@H](C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)c1ccc(Cl)cc1 ZINC000565159987 1019170491 /nfs/dbraw/zinc/17/04/91/1019170491.db2.gz AVAAPBAZWKGBSF-MOPGFXCFSA-N 2 2 387.911 3.967 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cccc(Cl)c1 ZINC001155997984 1032830519 /nfs/dbraw/zinc/83/05/19/1032830519.db2.gz NTJBCFCIQXGMOY-VQTJNVASSA-N 2 2 377.960 3.856 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cccc(Cl)c1 ZINC001155997984 1032830526 /nfs/dbraw/zinc/83/05/26/1032830526.db2.gz NTJBCFCIQXGMOY-VQTJNVASSA-N 2 2 377.960 3.856 20 0 GHADLP CC(C)[NH2+]C1(CO)CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000577505746 1020218142 /nfs/dbraw/zinc/21/81/42/1020218142.db2.gz LKKZTLZNIJTQOU-UHFFFAOYSA-N 2 2 382.548 3.618 20 0 GHADLP Fc1cc(C(F)(F)F)ccc1C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001204465872 1032906659 /nfs/dbraw/zinc/90/66/59/1032906659.db2.gz NHAQBZNAVAQRFH-UHFFFAOYSA-N 2 2 396.432 3.695 20 0 GHADLP Fc1cc(C(F)(F)F)ccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001204465872 1032906662 /nfs/dbraw/zinc/90/66/62/1032906662.db2.gz NHAQBZNAVAQRFH-UHFFFAOYSA-N 2 2 396.432 3.695 20 0 GHADLP FC(F)(F)c1nc2n(c1C[NH2+]Cc1ccccc1-n1cc[nH+]c1)CCCC2 ZINC000638418896 1021042882 /nfs/dbraw/zinc/04/28/82/1021042882.db2.gz GQRRCCWMCMBIKF-UHFFFAOYSA-N 2 2 375.398 3.714 20 0 GHADLP Cc1cc(C)cc(C[NH+]2CCC([N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC001204527450 1032952037 /nfs/dbraw/zinc/95/20/37/1032952037.db2.gz URXZKSIWNHOBSJ-FQEVSTJZSA-N 2 2 387.568 3.867 20 0 GHADLP Cc1cc(C)cc(C[NH+]2CCC([N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC001204527450 1032952042 /nfs/dbraw/zinc/95/20/42/1032952042.db2.gz URXZKSIWNHOBSJ-FQEVSTJZSA-N 2 2 387.568 3.867 20 0 GHADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000647815257 1021151011 /nfs/dbraw/zinc/15/10/11/1021151011.db2.gz WIOFJTJEYMLLTB-QHCPKHFHSA-N 2 2 397.950 3.762 20 0 GHADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000647815257 1021151013 /nfs/dbraw/zinc/15/10/13/1021151013.db2.gz WIOFJTJEYMLLTB-QHCPKHFHSA-N 2 2 397.950 3.762 20 0 GHADLP O=C(NC1CCC([NH+]2CCCCC2)CC1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900979244 1021370107 /nfs/dbraw/zinc/37/01/07/1021370107.db2.gz RGLQSHNWMKGFTL-UHFFFAOYSA-N 2 2 395.551 3.522 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc(Cl)ccc4Cl)C[C@H]3C2)cn1 ZINC001204567666 1032977917 /nfs/dbraw/zinc/97/79/17/1032977917.db2.gz VQVYTEJFSYUJAC-NVXWUHKLSA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc(Cl)ccc4Cl)C[C@H]3C2)cn1 ZINC001204567666 1032977920 /nfs/dbraw/zinc/97/79/20/1032977920.db2.gz VQVYTEJFSYUJAC-NVXWUHKLSA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc(Cl)ccc4Cl)C[C@H]3C2)cn1 ZINC001204567666 1032977922 /nfs/dbraw/zinc/97/79/22/1032977922.db2.gz VQVYTEJFSYUJAC-NVXWUHKLSA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc(Cl)ccc4Cl)C[C@H]3C2)cn1 ZINC001204567666 1032977929 /nfs/dbraw/zinc/97/79/29/1032977929.db2.gz VQVYTEJFSYUJAC-NVXWUHKLSA-N 2 2 379.335 3.681 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3cccc(OC)c3)no2)[C@@H](C)C1 ZINC000903293081 1021588540 /nfs/dbraw/zinc/58/85/40/1021588540.db2.gz AHSQJMICLNXKNS-UWJYYQICSA-N 2 2 387.524 3.577 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3cccc(OC)c3)no2)[C@@H](C)C1 ZINC000903293081 1021588563 /nfs/dbraw/zinc/58/85/63/1021588563.db2.gz AHSQJMICLNXKNS-UWJYYQICSA-N 2 2 387.524 3.577 20 0 GHADLP CN(C(=O)c1cc2ccsc2[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677291115 1021814149 /nfs/dbraw/zinc/81/41/49/1021814149.db2.gz UJSDZXBYJKFGAC-OALUTQOASA-N 2 2 388.581 3.639 20 0 GHADLP CN(C(=O)c1cc2ccsc2[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677291115 1021814171 /nfs/dbraw/zinc/81/41/71/1021814171.db2.gz UJSDZXBYJKFGAC-OALUTQOASA-N 2 2 388.581 3.639 20 0 GHADLP COc1ccc([C@H](C)Nc2ccc(N(C)CCO)c[nH+]2)cc1C[NH+]1CCCCC1 ZINC000679098801 1021960734 /nfs/dbraw/zinc/96/07/34/1021960734.db2.gz PCHHSANMTKQJDE-SFHVURJKSA-N 2 2 398.551 3.678 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140801357 1022569401 /nfs/dbraw/zinc/56/94/01/1022569401.db2.gz KRRKRVGENIMHPH-SFHVURJKSA-N 3 2 396.560 3.880 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140801357 1022569402 /nfs/dbraw/zinc/56/94/02/1022569402.db2.gz KRRKRVGENIMHPH-SFHVURJKSA-N 3 2 396.560 3.880 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]c4cc[nH+]cc34)C[C@@H]21 ZINC001140803067 1022572739 /nfs/dbraw/zinc/57/27/39/1022572739.db2.gz KHXWKMDBPZFNCX-FRGLQRNOSA-N 3 2 375.520 3.690 20 0 GHADLP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccn3ccnc3c2)CC1 ZINC001141044441 1023375921 /nfs/dbraw/zinc/37/59/21/1023375921.db2.gz KEPTUKPKACMFLS-UHFFFAOYSA-N 2 2 377.879 3.858 20 0 GHADLP O=C(c1ccsc1)N1CCC2(CC1)CC[NH+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141047112 1023381592 /nfs/dbraw/zinc/38/15/92/1023381592.db2.gz BLBGRGZLDHXNEO-UHFFFAOYSA-N 2 2 394.544 3.914 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc4c3cnn4[C@H]3CCCCO3)c2)C1 ZINC001204897239 1033152753 /nfs/dbraw/zinc/15/27/53/1033152753.db2.gz JAORDDJXTFDWFF-AUSIDOKSSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc4c3cnn4[C@H]3CCCCO3)c2)C1 ZINC001204897239 1033152766 /nfs/dbraw/zinc/15/27/66/1033152766.db2.gz JAORDDJXTFDWFF-AUSIDOKSSA-N 2 2 376.504 3.935 20 0 GHADLP CC[N@H+](Cc1cnc(OC)s1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001204923769 1033169174 /nfs/dbraw/zinc/16/91/74/1033169174.db2.gz PLPHYSFUXHZNKH-UHFFFAOYSA-N 2 2 389.569 3.864 20 0 GHADLP CC[N@@H+](Cc1cnc(OC)s1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001204923769 1033169183 /nfs/dbraw/zinc/16/91/83/1033169183.db2.gz PLPHYSFUXHZNKH-UHFFFAOYSA-N 2 2 389.569 3.864 20 0 GHADLP Cc1cc2c(s1)N(c1ccc(N3CC[NH2+]CC3)cn1)c1ccccc1NC2=[NH2+] ZINC001156674087 1033175684 /nfs/dbraw/zinc/17/56/84/1033175684.db2.gz MPRSXGGNFGMMPJ-UHFFFAOYSA-N 2 2 390.516 3.681 20 0 GHADLP CN(C(=O)c1ccc(CF)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831164578 1024395785 /nfs/dbraw/zinc/39/57/85/1024395785.db2.gz LHLFXZSUZTWTMM-LEWJYISDSA-N 2 2 375.532 3.565 20 0 GHADLP CN(C(=O)c1ccc(CF)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831164578 1024395802 /nfs/dbraw/zinc/39/58/02/1024395802.db2.gz LHLFXZSUZTWTMM-LEWJYISDSA-N 2 2 375.532 3.565 20 0 GHADLP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC001138543545 1024986096 /nfs/dbraw/zinc/98/60/96/1024986096.db2.gz WTASKHRPGPIVPS-PKTZIBPZSA-N 2 2 376.504 3.931 20 0 GHADLP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC001138543545 1024986105 /nfs/dbraw/zinc/98/61/05/1024986105.db2.gz WTASKHRPGPIVPS-PKTZIBPZSA-N 2 2 376.504 3.931 20 0 GHADLP Cc1[nH+]c2ccc(F)cn2c1Nc1ccc(C2([NH+]3CCN(C)CC3)CC2)cc1 ZINC001205107551 1033254891 /nfs/dbraw/zinc/25/48/91/1033254891.db2.gz GNRDTUYUFKXIQU-UHFFFAOYSA-N 2 2 379.483 3.762 20 0 GHADLP Cc1[nH+]c2ccc(F)cn2c1Nc1ccc(C2(N3CC[NH+](C)CC3)CC2)cc1 ZINC001205107551 1033254907 /nfs/dbraw/zinc/25/49/07/1033254907.db2.gz GNRDTUYUFKXIQU-UHFFFAOYSA-N 2 2 379.483 3.762 20 0 GHADLP CSc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001138704249 1025229481 /nfs/dbraw/zinc/22/94/81/1025229481.db2.gz YSDORXKGDLABPJ-YTQUADARSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001138704249 1025229491 /nfs/dbraw/zinc/22/94/91/1025229491.db2.gz YSDORXKGDLABPJ-YTQUADARSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001138704249 1025229496 /nfs/dbraw/zinc/22/94/96/1025229496.db2.gz YSDORXKGDLABPJ-YTQUADARSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001138704249 1025229502 /nfs/dbraw/zinc/22/95/02/1025229502.db2.gz YSDORXKGDLABPJ-YTQUADARSA-N 2 2 388.606 3.993 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3ccnn3[C@H]3CCCCO3)CC2)c2ccccc2[nH+]1 ZINC001138774343 1025346501 /nfs/dbraw/zinc/34/65/01/1025346501.db2.gz DYAUGCLHDQVELV-HSZRJFAPSA-N 2 2 391.519 3.761 20 0 GHADLP CCN(CC)c1ncc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)s1 ZINC001138800402 1025386988 /nfs/dbraw/zinc/38/69/88/1025386988.db2.gz DVAADMMZFSDGKP-HOTGVXAUSA-N 2 2 376.595 3.615 20 0 GHADLP COc1cccc(C2(Nc3[nH+]cnc4[nH]c5cc(F)ccc5c43)CC[NH2+]CC2)c1 ZINC001161997300 1025530601 /nfs/dbraw/zinc/53/06/01/1025530601.db2.gz HSJNCTSZGQEIDC-UHFFFAOYSA-N 2 2 391.450 3.950 20 0 GHADLP Clc1ccccc1N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139059755 1025849580 /nfs/dbraw/zinc/84/95/80/1025849580.db2.gz IWHYLZRQYMFRBM-SFTDATJTSA-N 2 2 397.950 3.635 20 0 GHADLP Clc1ccccc1N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139059755 1025849599 /nfs/dbraw/zinc/84/95/99/1025849599.db2.gz IWHYLZRQYMFRBM-SFTDATJTSA-N 2 2 397.950 3.635 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(Oc4ncccn4)cc3)C2)C1 ZINC001139078044 1025888267 /nfs/dbraw/zinc/88/82/67/1025888267.db2.gz OOGBVXXYQCNLGF-HSZRJFAPSA-N 2 2 396.535 3.592 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(Oc4ncccn4)cc3)C2)C1 ZINC001139078044 1025888283 /nfs/dbraw/zinc/88/82/83/1025888283.db2.gz OOGBVXXYQCNLGF-HSZRJFAPSA-N 2 2 396.535 3.592 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(Oc4ncccn4)cc3)C2)C1 ZINC001139078044 1025888305 /nfs/dbraw/zinc/88/83/05/1025888305.db2.gz OOGBVXXYQCNLGF-HSZRJFAPSA-N 2 2 396.535 3.592 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C2)C1 ZINC001139078044 1025888330 /nfs/dbraw/zinc/88/83/30/1025888330.db2.gz OOGBVXXYQCNLGF-HSZRJFAPSA-N 2 2 396.535 3.592 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4ccn(CC)c4c3)CC2)C1 ZINC001139122262 1025934261 /nfs/dbraw/zinc/93/42/61/1025934261.db2.gz TUZNSRXKGVZIJI-OAQYLSRUSA-N 2 2 397.563 3.901 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4ccn(CC)c4c3)CC2)C1 ZINC001139122262 1025934265 /nfs/dbraw/zinc/93/42/65/1025934265.db2.gz TUZNSRXKGVZIJI-OAQYLSRUSA-N 2 2 397.563 3.901 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnn(-c4ccccc4)n3)cc2)C1 ZINC001461045685 1069357429 /nfs/dbraw/zinc/35/74/29/1069357429.db2.gz VWXVKRAJDVFEHI-IBGZPJMESA-N 2 2 375.520 3.789 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnn(-c4ccccc4)n3)cc2)C1 ZINC001461045685 1069357443 /nfs/dbraw/zinc/35/74/43/1069357443.db2.gz VWXVKRAJDVFEHI-IBGZPJMESA-N 2 2 375.520 3.789 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)C(F)(F)F)c2)[C@@H](C)C1 ZINC000839561896 1026061031 /nfs/dbraw/zinc/06/10/31/1026061031.db2.gz REKWARCWWQUUDW-MAUKXSAKSA-N 2 2 386.458 3.658 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)C(F)(F)F)c2)[C@@H](C)C1 ZINC000839561896 1026061040 /nfs/dbraw/zinc/06/10/40/1026061040.db2.gz REKWARCWWQUUDW-MAUKXSAKSA-N 2 2 386.458 3.658 20 0 GHADLP c1cn(-c2ccc(-c3ccc(N[C@@H]4CC[NH2+][C@H]4c4ccccc4)nn3)cc2)c[nH+]1 ZINC001163212028 1026089684 /nfs/dbraw/zinc/08/96/84/1026089684.db2.gz RRYLGLGQFMYDEM-GGAORHGYSA-N 2 2 382.471 3.844 20 0 GHADLP COc1ccc(OC)c(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)c1N ZINC001139277899 1026125640 /nfs/dbraw/zinc/12/56/40/1026125640.db2.gz LXHFPMHAPUSJNG-KKIGLAAZSA-N 2 2 397.563 3.681 20 0 GHADLP COc1ccc(OC)c(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)c1N ZINC001139277899 1026125644 /nfs/dbraw/zinc/12/56/44/1026125644.db2.gz LXHFPMHAPUSJNG-KKIGLAAZSA-N 2 2 397.563 3.681 20 0 GHADLP COc1ccc(OC)c(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1N ZINC001139277899 1026125647 /nfs/dbraw/zinc/12/56/47/1026125647.db2.gz LXHFPMHAPUSJNG-KKIGLAAZSA-N 2 2 397.563 3.681 20 0 GHADLP COc1ccc(OC)c(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c1N ZINC001139277899 1026125657 /nfs/dbraw/zinc/12/56/57/1026125657.db2.gz LXHFPMHAPUSJNG-KKIGLAAZSA-N 2 2 397.563 3.681 20 0 GHADLP Clc1cnc(Cl)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC001139351720 1026222903 /nfs/dbraw/zinc/22/29/03/1026222903.db2.gz FEURQFCXGOPJCL-UHFFFAOYSA-N 2 2 396.318 3.848 20 0 GHADLP Clc1cnc(Cl)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC001139351720 1026222915 /nfs/dbraw/zinc/22/29/15/1026222915.db2.gz FEURQFCXGOPJCL-UHFFFAOYSA-N 2 2 396.318 3.848 20 0 GHADLP c1cn(-c2ccc(C[N@@H+]3CCc4ncnc(-c5ccsc5)c4CC3)cc2)c[nH+]1 ZINC001139357948 1026230222 /nfs/dbraw/zinc/23/02/22/1026230222.db2.gz GCUUCJPFBNOERQ-UHFFFAOYSA-N 2 2 387.512 3.992 20 0 GHADLP c1cn(-c2ccc(C[N@H+]3CCc4ncnc(-c5ccsc5)c4CC3)cc2)c[nH+]1 ZINC001139357948 1026230233 /nfs/dbraw/zinc/23/02/33/1026230233.db2.gz GCUUCJPFBNOERQ-UHFFFAOYSA-N 2 2 387.512 3.992 20 0 GHADLP O=C1C[C@@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CN1c1ccc(F)cc1 ZINC001139358065 1026230958 /nfs/dbraw/zinc/23/09/58/1026230958.db2.gz IKCFTMDUIYQQCL-HSZRJFAPSA-N 2 2 390.462 3.640 20 0 GHADLP O=C1C[C@@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CN1c1ccc(F)cc1 ZINC001139358065 1026230971 /nfs/dbraw/zinc/23/09/71/1026230971.db2.gz IKCFTMDUIYQQCL-HSZRJFAPSA-N 2 2 390.462 3.640 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)cc2)c[nH+]1 ZINC001139359907 1026232405 /nfs/dbraw/zinc/23/24/05/1026232405.db2.gz NDEOOUCSSKWRDU-UHFFFAOYSA-N 3 2 387.531 3.755 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)cc2)c[nH+]1 ZINC001139359907 1026232409 /nfs/dbraw/zinc/23/24/09/1026232409.db2.gz NDEOOUCSSKWRDU-UHFFFAOYSA-N 3 2 387.531 3.755 20 0 GHADLP O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001139360112 1026233478 /nfs/dbraw/zinc/23/34/78/1026233478.db2.gz RCKDVZJNQNLODZ-JOCHJYFZSA-N 2 2 386.499 3.511 20 0 GHADLP CN1C(=O)C2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)[C@H]1c1ccccc1 ZINC001139360308 1026233632 /nfs/dbraw/zinc/23/36/32/1026233632.db2.gz VENUYJJKYBQSFZ-JOCHJYFZSA-N 2 2 386.499 3.668 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[NH+]1CCCC[C@H]1C ZINC001141694282 1026272325 /nfs/dbraw/zinc/27/23/25/1026272325.db2.gz IFCPUARPRYTWPG-OPYAIIAOSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[NH+]1CCCC[C@H]1C ZINC001141694282 1026272332 /nfs/dbraw/zinc/27/23/32/1026272332.db2.gz IFCPUARPRYTWPG-OPYAIIAOSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)[N@@H+]1CCCC[C@H]1C ZINC001141694282 1026272339 /nfs/dbraw/zinc/27/23/39/1026272339.db2.gz IFCPUARPRYTWPG-OPYAIIAOSA-N 2 2 375.532 3.559 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)[N@H+]1CCCC[C@H]1C ZINC001141694282 1026272349 /nfs/dbraw/zinc/27/23/49/1026272349.db2.gz IFCPUARPRYTWPG-OPYAIIAOSA-N 2 2 375.532 3.559 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C[C@H](c2cccc(C(F)(F)F)c2)CC1=O ZINC000840029765 1026414850 /nfs/dbraw/zinc/41/48/50/1026414850.db2.gz GVGKERQRVZEYDV-QGZVFWFLSA-N 2 2 394.441 3.506 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C[C@H](c2cccc(C(F)(F)F)c2)CC1=O ZINC000840029765 1026414858 /nfs/dbraw/zinc/41/48/58/1026414858.db2.gz GVGKERQRVZEYDV-QGZVFWFLSA-N 2 2 394.441 3.506 20 0 GHADLP CCOc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1Cl ZINC001139594736 1026458914 /nfs/dbraw/zinc/45/89/14/1026458914.db2.gz ZVSFJJICTLSDRA-DENIHFKCSA-N 2 2 392.971 3.919 20 0 GHADLP CCOc1ccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1Cl ZINC001139594736 1026458922 /nfs/dbraw/zinc/45/89/22/1026458922.db2.gz ZVSFJJICTLSDRA-DENIHFKCSA-N 2 2 392.971 3.919 20 0 GHADLP CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc1Cl ZINC001139594736 1026458926 /nfs/dbraw/zinc/45/89/26/1026458926.db2.gz ZVSFJJICTLSDRA-DENIHFKCSA-N 2 2 392.971 3.919 20 0 GHADLP CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cc1Cl ZINC001139594736 1026458931 /nfs/dbraw/zinc/45/89/31/1026458931.db2.gz ZVSFJJICTLSDRA-DENIHFKCSA-N 2 2 392.971 3.919 20 0 GHADLP c1ccc([C@@H]2CSCC[N@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001139763903 1026602889 /nfs/dbraw/zinc/60/28/89/1026602889.db2.gz UKDMMHYFDCJHHL-QHCPKHFHSA-N 2 2 398.572 3.688 20 0 GHADLP c1ccc([C@@H]2CSCC[N@@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001139763903 1026602890 /nfs/dbraw/zinc/60/28/90/1026602890.db2.gz UKDMMHYFDCJHHL-QHCPKHFHSA-N 2 2 398.572 3.688 20 0 GHADLP Fc1ccc(C[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)c2ccccc12 ZINC001139891086 1026708288 /nfs/dbraw/zinc/70/82/88/1026708288.db2.gz OWIDVVORWHTANX-UHFFFAOYSA-N 2 2 393.510 3.615 20 0 GHADLP Fc1ccc(C[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)c2ccccc12 ZINC001139891086 1026708293 /nfs/dbraw/zinc/70/82/93/1026708293.db2.gz OWIDVVORWHTANX-UHFFFAOYSA-N 2 2 393.510 3.615 20 0 GHADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CCC(C4C[NH2+]C4)CC3)c12 ZINC001165409383 1026720604 /nfs/dbraw/zinc/72/06/04/1026720604.db2.gz GSHILLHPGBPPJU-UHFFFAOYSA-N 2 2 375.520 3.532 20 0 GHADLP O=C(Nc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1)c1ccncc1 ZINC001461142901 1069410763 /nfs/dbraw/zinc/41/07/63/1069410763.db2.gz HWTGUFAFXCUIEA-UHFFFAOYSA-N 2 2 389.484 3.871 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001140022467 1026807317 /nfs/dbraw/zinc/80/73/17/1026807317.db2.gz GSYRADHHXZYEIA-UHFFFAOYSA-N 3 2 382.552 3.505 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H](C(N)=O)c1ccccc1 ZINC001140026733 1026815260 /nfs/dbraw/zinc/81/52/60/1026815260.db2.gz PXAOXGULUIWKHB-DHIUTWEWSA-N 2 2 388.515 3.804 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCCC[C@@H]1[C@H](C(N)=O)c1ccccc1 ZINC001140026733 1026815269 /nfs/dbraw/zinc/81/52/69/1026815269.db2.gz PXAOXGULUIWKHB-DHIUTWEWSA-N 2 2 388.515 3.804 20 0 GHADLP COc1ccc2n[nH]c(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)c2c1 ZINC001140069514 1026848943 /nfs/dbraw/zinc/84/89/43/1026848943.db2.gz XLUYVWUQSMLTFI-QHCPKHFHSA-N 2 2 376.504 3.670 20 0 GHADLP COc1ccc2n[nH]c(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)c2c1 ZINC001140069514 1026848951 /nfs/dbraw/zinc/84/89/51/1026848951.db2.gz XLUYVWUQSMLTFI-QHCPKHFHSA-N 2 2 376.504 3.670 20 0 GHADLP COc1ccc2n[nH]c(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)c2c1 ZINC001140069514 1026848960 /nfs/dbraw/zinc/84/89/60/1026848960.db2.gz XLUYVWUQSMLTFI-QHCPKHFHSA-N 2 2 376.504 3.670 20 0 GHADLP COc1ccc2n[nH]c(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2c1 ZINC001140069514 1026848963 /nfs/dbraw/zinc/84/89/63/1026848963.db2.gz XLUYVWUQSMLTFI-QHCPKHFHSA-N 2 2 376.504 3.670 20 0 GHADLP CCc1[nH]c(C[NH+]2CCC3(CC[N@H+](Cc4cccc(OC)c4)C3)CC2)c(C)[nH+]1 ZINC001203241168 1027245712 /nfs/dbraw/zinc/24/57/12/1027245712.db2.gz RMHHIQUFXSOVMX-UHFFFAOYSA-N 3 2 382.552 3.777 20 0 GHADLP CCc1[nH]c(C[NH+]2CCC3(CC[N@@H+](Cc4cccc(OC)c4)C3)CC2)c(C)[nH+]1 ZINC001203241168 1027245722 /nfs/dbraw/zinc/24/57/22/1027245722.db2.gz RMHHIQUFXSOVMX-UHFFFAOYSA-N 3 2 382.552 3.777 20 0 GHADLP CC(=O)OCc1ccc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)o1 ZINC001141787536 1027281971 /nfs/dbraw/zinc/28/19/71/1027281971.db2.gz RWRVHYPCZCOZEL-UHFFFAOYSA-N 2 2 399.878 3.867 20 0 GHADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001461343770 1069509993 /nfs/dbraw/zinc/50/99/93/1069509993.db2.gz KAKIVIQCKHLEES-IAGOWNOFSA-N 2 2 388.886 3.799 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1cc2ccccc2o1 ZINC001461437341 1069549663 /nfs/dbraw/zinc/54/96/63/1069549663.db2.gz PTXAETUQKZUNNX-SFHVURJKSA-N 2 2 380.488 3.995 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1Nc1ccc(Cn2cc[nH+]c2C)cc1 ZINC001215550967 1029275466 /nfs/dbraw/zinc/27/54/66/1029275466.db2.gz WDOZWOPYGKYWIJ-UHFFFAOYSA-N 2 2 392.503 3.824 20 0 GHADLP CCOc1c(Br)cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC001461604595 1069636234 /nfs/dbraw/zinc/63/62/34/1069636234.db2.gz HFKRBUAFTFNCOY-DLBZAZTESA-N 2 2 397.357 3.963 20 0 GHADLP CCOc1c(Br)cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC001461604595 1069636238 /nfs/dbraw/zinc/63/62/38/1069636238.db2.gz HFKRBUAFTFNCOY-DLBZAZTESA-N 2 2 397.357 3.963 20 0 GHADLP CN(C)c1ccccc1-c1noc(-c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)n1 ZINC001217116869 1030177466 /nfs/dbraw/zinc/17/74/66/1030177466.db2.gz TWUWENAPWFJRAF-UHFFFAOYSA-N 2 2 393.535 3.853 20 0 GHADLP CN(C)c1ccccc1-c1noc(-c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)n1 ZINC001217116869 1030177476 /nfs/dbraw/zinc/17/74/76/1030177476.db2.gz TWUWENAPWFJRAF-UHFFFAOYSA-N 2 2 393.535 3.853 20 0 GHADLP [NH3+]CC1(F)CC[NH+](Cc2c(Br)cccc2OC(F)(F)F)CC1 ZINC001222553569 1030194203 /nfs/dbraw/zinc/19/42/03/1030194203.db2.gz XNEVTHQPKPCYKC-UHFFFAOYSA-N 2 2 385.199 3.611 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)C2)cc1 ZINC001222595675 1030222145 /nfs/dbraw/zinc/22/21/45/1030222145.db2.gz GMOFTVGMSOCDEJ-ISKFKSNPSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)C2)cc1 ZINC001222595675 1030222159 /nfs/dbraw/zinc/22/21/59/1030222159.db2.gz GMOFTVGMSOCDEJ-ISKFKSNPSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)C2)cc1 ZINC001222595675 1030222175 /nfs/dbraw/zinc/22/21/75/1030222175.db2.gz GMOFTVGMSOCDEJ-ISKFKSNPSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)C2)cc1 ZINC001222595675 1030222187 /nfs/dbraw/zinc/22/21/87/1030222187.db2.gz GMOFTVGMSOCDEJ-ISKFKSNPSA-N 3 2 375.560 3.588 20 0 GHADLP c1ccc(COc2ccc(C[N@@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)nc2)cc1 ZINC001222615227 1030240095 /nfs/dbraw/zinc/24/00/95/1030240095.db2.gz NRPDAGUIPMTBIT-DEOSSOPVSA-N 2 2 385.511 3.850 20 0 GHADLP c1ccc(COc2ccc(C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)nc2)cc1 ZINC001222615227 1030240111 /nfs/dbraw/zinc/24/01/11/1030240111.db2.gz NRPDAGUIPMTBIT-DEOSSOPVSA-N 2 2 385.511 3.850 20 0 GHADLP O=C(NCCn1c[nH+]cc1-c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001149856578 1030327188 /nfs/dbraw/zinc/32/71/88/1030327188.db2.gz SONDFFXEJOJJJI-QFIPXVFZSA-N 2 2 388.515 3.721 20 0 GHADLP O=C(NCCn1c[nH+]cc1-c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001149856578 1030327205 /nfs/dbraw/zinc/32/72/05/1030327205.db2.gz SONDFFXEJOJJJI-QFIPXVFZSA-N 2 2 388.515 3.721 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1)c1ccccc1Cl ZINC001219816449 1031631409 /nfs/dbraw/zinc/63/14/09/1031631409.db2.gz MFMGHFJPVHAWLW-HKBOAZHASA-N 2 2 385.939 3.942 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3(C)CCC4(CC3)OCCO4)CC2)cc1 ZINC001461795893 1069753299 /nfs/dbraw/zinc/75/32/99/1069753299.db2.gz GOTFTOONAOONHF-UHFFFAOYSA-N 2 2 387.568 3.634 20 0 GHADLP Brc1ccc2c(Nc3cc[nH+]c(N4CCOCC4)c3)cc[nH+]c2c1 ZINC001212991448 1031823246 /nfs/dbraw/zinc/82/32/46/1031823246.db2.gz VZPYRAAUGBJWIV-UHFFFAOYSA-N 2 2 385.265 3.973 20 0 GHADLP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001220193301 1031827400 /nfs/dbraw/zinc/82/74/00/1031827400.db2.gz QQOZNNZYRRYLND-UHFFFAOYSA-N 2 2 399.514 3.807 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC001220529629 1031978024 /nfs/dbraw/zinc/97/80/24/1031978024.db2.gz GYHQMJUVJDUWEL-KDOFPFPSSA-N 2 2 398.378 3.882 20 0 GHADLP C[C@H]([NH3+])c1ncc(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)s1 ZINC001220533521 1031981035 /nfs/dbraw/zinc/98/10/35/1031981035.db2.gz OQRXXKVSPPQLAL-TVQRCGJNSA-N 2 2 387.336 3.502 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C[C@H]1C[NH3+] ZINC001205319308 1033358237 /nfs/dbraw/zinc/35/82/37/1033358237.db2.gz YYPURDLFHDITJJ-CMPLNLGQSA-N 2 2 381.236 3.764 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C[C@H]1C[NH3+] ZINC001205319308 1033358256 /nfs/dbraw/zinc/35/82/56/1033358256.db2.gz YYPURDLFHDITJJ-CMPLNLGQSA-N 2 2 381.236 3.764 20 0 GHADLP COc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC001205779172 1033568279 /nfs/dbraw/zinc/56/82/79/1033568279.db2.gz JZVKEHAAAZAIEY-GOSISDBHSA-N 2 2 376.447 3.690 20 0 GHADLP COc1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC001205779172 1033568283 /nfs/dbraw/zinc/56/82/83/1033568283.db2.gz JZVKEHAAAZAIEY-GOSISDBHSA-N 2 2 376.447 3.690 20 0 GHADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC001206769021 1033976291 /nfs/dbraw/zinc/97/62/91/1033976291.db2.gz MJSPOOZSHAJSBP-WDEREUQCSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC001206769021 1033976293 /nfs/dbraw/zinc/97/62/93/1033976293.db2.gz MJSPOOZSHAJSBP-WDEREUQCSA-N 2 2 381.236 3.907 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)CC2)C1 ZINC001158267609 1033994355 /nfs/dbraw/zinc/99/43/55/1033994355.db2.gz IHQILWSFYRYQMW-JOCHJYFZSA-N 2 2 399.542 3.812 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)CC2)C1 ZINC001158267609 1033994359 /nfs/dbraw/zinc/99/43/59/1033994359.db2.gz IHQILWSFYRYQMW-JOCHJYFZSA-N 2 2 399.542 3.812 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC(C)(C)C3CCCCC3)CC2)CC1 ZINC001230552484 1034117354 /nfs/dbraw/zinc/11/73/54/1034117354.db2.gz BRUQKJCSHOTZSK-UHFFFAOYSA-N 2 2 392.632 3.795 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC(C)(C)C3CCCCC3)CC2)CC1 ZINC001230552484 1034117358 /nfs/dbraw/zinc/11/73/58/1034117358.db2.gz BRUQKJCSHOTZSK-UHFFFAOYSA-N 2 2 392.632 3.795 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](CCC4CCCCC4)CC[C@@H]3C2)cs1 ZINC001207263016 1034220432 /nfs/dbraw/zinc/22/04/32/1034220432.db2.gz SCEFMQJMOUHCIZ-TZIWHRDSSA-N 2 2 377.598 3.945 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](CCC4CCCCC4)CC[C@@H]3C2)cs1 ZINC001207263016 1034220449 /nfs/dbraw/zinc/22/04/49/1034220449.db2.gz SCEFMQJMOUHCIZ-TZIWHRDSSA-N 2 2 377.598 3.945 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](CCC4CCCCC4)CC[C@@H]3C2)cs1 ZINC001207263016 1034220460 /nfs/dbraw/zinc/22/04/60/1034220460.db2.gz SCEFMQJMOUHCIZ-TZIWHRDSSA-N 2 2 377.598 3.945 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](CCC4CCCCC4)CC[C@@H]3C2)cs1 ZINC001207263016 1034220473 /nfs/dbraw/zinc/22/04/73/1034220473.db2.gz SCEFMQJMOUHCIZ-TZIWHRDSSA-N 2 2 377.598 3.945 20 0 GHADLP FC1(F)CN(CC2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1[NH+]1CCCC1 ZINC001207295453 1034248685 /nfs/dbraw/zinc/24/86/85/1034248685.db2.gz QZOMASYUJQCRHX-NRFANRHFSA-N 2 2 377.523 3.704 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](C[C@H]1CCOC(C)(C)C1)C2 ZINC001207357828 1034301258 /nfs/dbraw/zinc/30/12/58/1034301258.db2.gz OGJGFVQMQBUAKC-SFHVURJKSA-N 2 2 383.536 3.870 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](C[C@H]1CCOC(C)(C)C1)C2 ZINC001207357828 1034301270 /nfs/dbraw/zinc/30/12/70/1034301270.db2.gz OGJGFVQMQBUAKC-SFHVURJKSA-N 2 2 383.536 3.870 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](C[C@H]1CCOC(C)(C)C1)C2 ZINC001207357828 1034301290 /nfs/dbraw/zinc/30/12/90/1034301290.db2.gz OGJGFVQMQBUAKC-SFHVURJKSA-N 2 2 383.536 3.870 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](C[C@H]1CCOC(C)(C)C1)C2 ZINC001207357828 1034301304 /nfs/dbraw/zinc/30/13/04/1034301304.db2.gz OGJGFVQMQBUAKC-SFHVURJKSA-N 2 2 383.536 3.870 20 0 GHADLP C[C@@H](CCCC(C)(C)O)CC[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001207649049 1034510372 /nfs/dbraw/zinc/51/03/72/1034510372.db2.gz NTVJBZOSFWRZMP-FQEVSTJZSA-N 2 2 389.584 3.720 20 0 GHADLP COc1ccc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)c(OC(F)(F)F)c1 ZINC001159323934 1034544975 /nfs/dbraw/zinc/54/49/75/1034544975.db2.gz SLTZHINSVILIOM-UHFFFAOYSA-N 2 2 382.386 3.660 20 0 GHADLP Cc1[nH+]c2c(Br)cc(C)cn2c1Nc1cnn(C2CC[NH2+]CC2)c1 ZINC001159371289 1034568921 /nfs/dbraw/zinc/56/89/21/1034568921.db2.gz GXOBUXFXFPQFMV-UHFFFAOYSA-N 2 2 389.301 3.578 20 0 GHADLP C[C@@H]1C[C@@H]([NH3+])C[C@@H](c2ccncc2Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC001159390023 1034576048 /nfs/dbraw/zinc/57/60/48/1034576048.db2.gz MLTKIXAMHGMPNZ-YSIASYRMSA-N 2 2 380.536 3.888 20 0 GHADLP CC[N@H+](CC1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1CC[NH+](C)CC1 ZINC001207803505 1034583437 /nfs/dbraw/zinc/58/34/37/1034583437.db2.gz CSEVQMZEQPLVJH-UHFFFAOYSA-N 2 2 379.589 3.830 20 0 GHADLP CC[N@@H+](CC1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1CC[NH+](C)CC1 ZINC001207803505 1034583445 /nfs/dbraw/zinc/58/34/45/1034583445.db2.gz CSEVQMZEQPLVJH-UHFFFAOYSA-N 2 2 379.589 3.830 20 0 GHADLP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001207824886 1034601060 /nfs/dbraw/zinc/60/10/60/1034601060.db2.gz FBRXOAGEIAPSBC-RCCFBDPRSA-N 2 2 377.492 3.850 20 0 GHADLP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001207824886 1034601064 /nfs/dbraw/zinc/60/10/64/1034601064.db2.gz FBRXOAGEIAPSBC-RCCFBDPRSA-N 2 2 377.492 3.850 20 0 GHADLP C[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001207827282 1034605137 /nfs/dbraw/zinc/60/51/37/1034605137.db2.gz JEVXQKYBNHBKMZ-DOTOQJQBSA-N 2 2 398.498 3.658 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1nc2ccccc2n1C(F)F ZINC001207873529 1034634119 /nfs/dbraw/zinc/63/41/19/1034634119.db2.gz YBUSPAIWWXWVQE-HOCLYGCPSA-N 2 2 378.467 3.725 20 0 GHADLP CCOc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1OCCCOC ZINC001231551690 1034703840 /nfs/dbraw/zinc/70/38/40/1034703840.db2.gz PWMRCOQXJWBUAK-FQEVSTJZSA-N 2 2 386.492 3.549 20 0 GHADLP CCOc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1OCCCOC ZINC001231551690 1034703853 /nfs/dbraw/zinc/70/38/53/1034703853.db2.gz PWMRCOQXJWBUAK-FQEVSTJZSA-N 2 2 386.492 3.549 20 0 GHADLP CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)C[NH+](C)C(C)C ZINC001159704943 1034718188 /nfs/dbraw/zinc/71/81/88/1034718188.db2.gz PPDKNULYFHAYDA-FQEVSTJZSA-N 2 2 379.976 3.739 20 0 GHADLP CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)C[NH+](C)C(C)C ZINC001159704943 1034718203 /nfs/dbraw/zinc/71/82/03/1034718203.db2.gz PPDKNULYFHAYDA-FQEVSTJZSA-N 2 2 379.976 3.739 20 0 GHADLP CC(C)C[C@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1C(=O)C[N@H+](C)C(C)C ZINC001159704943 1034718217 /nfs/dbraw/zinc/71/82/17/1034718217.db2.gz PPDKNULYFHAYDA-FQEVSTJZSA-N 2 2 379.976 3.739 20 0 GHADLP CC(C)C[C@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1C(=O)C[N@@H+](C)C(C)C ZINC001159704943 1034718230 /nfs/dbraw/zinc/71/82/30/1034718230.db2.gz PPDKNULYFHAYDA-FQEVSTJZSA-N 2 2 379.976 3.739 20 0 GHADLP CN(C)c1cc(NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc[nH+]1 ZINC001208173275 1034773116 /nfs/dbraw/zinc/77/31/16/1034773116.db2.gz DWIUTNDQCDOSFK-SFHVURJKSA-N 2 2 387.915 3.760 20 0 GHADLP CCN(CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001208243771 1034832237 /nfs/dbraw/zinc/83/22/37/1034832237.db2.gz XZZHNJAUCSRTPR-UHFFFAOYSA-N 2 2 375.557 3.840 20 0 GHADLP CCN(CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001208243771 1034832247 /nfs/dbraw/zinc/83/22/47/1034832247.db2.gz XZZHNJAUCSRTPR-UHFFFAOYSA-N 2 2 375.557 3.840 20 0 GHADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1ccc(CC(C)C)cc1)CCC2 ZINC001231788260 1034910348 /nfs/dbraw/zinc/91/03/48/1034910348.db2.gz RIJLXEFKAWCXOW-UHFFFAOYSA-N 2 2 396.579 3.690 20 0 GHADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](Cc1ccc(CC(C)C)cc1)CCC2 ZINC001231788260 1034910350 /nfs/dbraw/zinc/91/03/50/1034910350.db2.gz RIJLXEFKAWCXOW-UHFFFAOYSA-N 2 2 396.579 3.690 20 0 GHADLP C[C@@H](C[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1)c1cccc2ccccc21 ZINC001208710091 1034988670 /nfs/dbraw/zinc/98/86/70/1034988670.db2.gz OASOQJQKWVYPHD-IBGZPJMESA-N 2 2 385.515 3.943 20 0 GHADLP C[C@@H](C[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1)c1cccc2ccccc21 ZINC001208710091 1034988673 /nfs/dbraw/zinc/98/86/73/1034988673.db2.gz OASOQJQKWVYPHD-IBGZPJMESA-N 2 2 385.515 3.943 20 0 GHADLP C[NH2+]Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC001160595629 1035013066 /nfs/dbraw/zinc/01/30/66/1035013066.db2.gz QWLGVCCHCGGSGI-UHFFFAOYSA-N 2 2 379.548 3.662 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](CCCc3cccc(Br)c3)CC2)c1 ZINC001208824247 1035042560 /nfs/dbraw/zinc/04/25/60/1035042560.db2.gz CPXBIDGFZUEKQJ-UHFFFAOYSA-N 2 2 390.325 3.608 20 0 GHADLP C[C@@H](C[NH+]1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1)C(F)(F)F ZINC001208901208 1035080729 /nfs/dbraw/zinc/08/07/29/1035080729.db2.gz LHIYRUXZWXHIIM-AWEZNQCLSA-N 2 2 393.494 3.638 20 0 GHADLP Fc1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1F ZINC001208931994 1035095697 /nfs/dbraw/zinc/09/56/97/1035095697.db2.gz MYHKYJFBZCSFDV-FQEVSTJZSA-N 2 2 385.502 3.999 20 0 GHADLP Fc1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1F ZINC001208931994 1035095705 /nfs/dbraw/zinc/09/57/05/1035095705.db2.gz MYHKYJFBZCSFDV-FQEVSTJZSA-N 2 2 385.502 3.999 20 0 GHADLP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948248 1035119415 /nfs/dbraw/zinc/11/94/15/1035119415.db2.gz FUVCCQJFTDFTSL-SFTDATJTSA-N 2 2 387.568 3.840 20 0 GHADLP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948248 1035119420 /nfs/dbraw/zinc/11/94/20/1035119420.db2.gz FUVCCQJFTDFTSL-SFTDATJTSA-N 2 2 387.568 3.840 20 0 GHADLP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208948248 1035119424 /nfs/dbraw/zinc/11/94/24/1035119424.db2.gz FUVCCQJFTDFTSL-SFTDATJTSA-N 2 2 387.568 3.840 20 0 GHADLP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948248 1035119428 /nfs/dbraw/zinc/11/94/28/1035119428.db2.gz FUVCCQJFTDFTSL-SFTDATJTSA-N 2 2 387.568 3.840 20 0 GHADLP C[N@@H+]1CC[C@H](C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)[C@@H]1c1ccccc1 ZINC001161119801 1035147327 /nfs/dbraw/zinc/14/73/27/1035147327.db2.gz OGZUZGCIDRBERD-GMAHTHKFSA-N 2 2 392.547 3.771 20 0 GHADLP C[N@H+]1CC[C@H](C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)[C@@H]1c1ccccc1 ZINC001161119801 1035147332 /nfs/dbraw/zinc/14/73/32/1035147332.db2.gz OGZUZGCIDRBERD-GMAHTHKFSA-N 2 2 392.547 3.771 20 0 GHADLP CC(C)(C)C(=O)C[NH+]1CCC(Nc2nc(Cl)ccc2C[NH+]2CCCC2)CC1 ZINC001161120342 1035148290 /nfs/dbraw/zinc/14/82/90/1035148290.db2.gz UHKDWKPVDITWEG-UHFFFAOYSA-N 2 2 392.975 3.822 20 0 GHADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CCOC(=O)c3ccccc3)C[C@@H]21 ZINC001209045713 1035156744 /nfs/dbraw/zinc/15/67/44/1035156744.db2.gz XLRSUIRJZLZTKL-VABKMULXSA-N 2 2 378.516 3.954 20 0 GHADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CCOC(=O)c3ccccc3)C[C@@H]21 ZINC001209045713 1035156749 /nfs/dbraw/zinc/15/67/49/1035156749.db2.gz XLRSUIRJZLZTKL-VABKMULXSA-N 2 2 378.516 3.954 20 0 GHADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](CCOC(=O)c3ccccc3)C[C@@H]21 ZINC001209045713 1035156754 /nfs/dbraw/zinc/15/67/54/1035156754.db2.gz XLRSUIRJZLZTKL-VABKMULXSA-N 2 2 378.516 3.954 20 0 GHADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](CCOC(=O)c3ccccc3)C[C@@H]21 ZINC001209045713 1035156758 /nfs/dbraw/zinc/15/67/58/1035156758.db2.gz XLRSUIRJZLZTKL-VABKMULXSA-N 2 2 378.516 3.954 20 0 GHADLP CC(C)n1c[nH+]cc1CNC(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001161569582 1035259867 /nfs/dbraw/zinc/25/98/67/1035259867.db2.gz MXWGBDFHMBNNEU-UHFFFAOYSA-N 2 2 381.858 3.728 20 0 GHADLP COC(C)(C)CC[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001209409342 1035271075 /nfs/dbraw/zinc/27/10/75/1035271075.db2.gz HDDFKWJKOGQRQY-UHFFFAOYSA-N 2 2 397.604 3.597 20 0 GHADLP COC(C)(C)CC[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001209409342 1035271092 /nfs/dbraw/zinc/27/10/92/1035271092.db2.gz HDDFKWJKOGQRQY-UHFFFAOYSA-N 2 2 397.604 3.597 20 0 GHADLP COc1cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)cc(F)c1O ZINC001209524326 1035303114 /nfs/dbraw/zinc/30/31/14/1035303114.db2.gz RTYCIVOOSCQUAW-UHFFFAOYSA-N 2 2 381.451 3.719 20 0 GHADLP Fc1cccc([C@H](CC2CCOCC2)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1 ZINC001161838386 1035312543 /nfs/dbraw/zinc/31/25/43/1035312543.db2.gz SQOLQLYWROCSRC-NRFANRHFSA-N 2 2 384.499 3.600 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc4[nH]cc(Cl)c43)CC2)C1 ZINC001209659069 1035345914 /nfs/dbraw/zinc/34/59/14/1035345914.db2.gz DXIFEOMNZNZLLX-INIZCTEOSA-N 2 2 389.927 3.671 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc4[nH]cc(Cl)c43)CC2)C1 ZINC001209659069 1035345916 /nfs/dbraw/zinc/34/59/16/1035345916.db2.gz DXIFEOMNZNZLLX-INIZCTEOSA-N 2 2 389.927 3.671 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(OCC[NH+]4CCCCC4)cc3)cc2)C1 ZINC001241760365 1035683075 /nfs/dbraw/zinc/68/30/75/1035683075.db2.gz FLIAOYJUKJYCDT-QHCPKHFHSA-N 3 2 379.548 3.751 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(OCC[NH+]4CCCCC4)cc3)cc2)C1 ZINC001241760365 1035683082 /nfs/dbraw/zinc/68/30/82/1035683082.db2.gz FLIAOYJUKJYCDT-QHCPKHFHSA-N 3 2 379.548 3.751 20 0 GHADLP CC(C)C1=[NH+]CCc2ccc(-c3cccc(C(=O)N4CC[NH+](C)CC4)c3)cc21 ZINC001241879695 1035739605 /nfs/dbraw/zinc/73/96/05/1035739605.db2.gz MMSASDSFGJTDFL-UHFFFAOYSA-N 2 2 375.516 3.742 20 0 GHADLP c1ccc(-c2ccc([C@H]3CN4CCSC4=[NH+]3)cc2)c(C[NH+]2CCOCC2)c1 ZINC001241995032 1035784660 /nfs/dbraw/zinc/78/46/60/1035784660.db2.gz KCMMQEDADLFPJM-OAQYLSRUSA-N 2 2 379.529 3.645 20 0 GHADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001278360487 1036087772 /nfs/dbraw/zinc/08/77/72/1036087772.db2.gz URHYHCCVRZHTTG-IRXDYDNUSA-N 2 2 375.866 3.569 20 0 GHADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001278360487 1036087806 /nfs/dbraw/zinc/08/78/06/1036087806.db2.gz URHYHCCVRZHTTG-IRXDYDNUSA-N 2 2 375.866 3.569 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cc(F)cc(C(=O)N3CCCCC3)c2)C1 ZINC001243408048 1036142376 /nfs/dbraw/zinc/14/23/76/1036142376.db2.gz XRBVXVGKEHUYAA-OAQYLSRUSA-N 2 2 381.495 3.652 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cc(F)cc(C(=O)N3CCCCC3)c2)C1 ZINC001243408048 1036142385 /nfs/dbraw/zinc/14/23/85/1036142385.db2.gz XRBVXVGKEHUYAA-OAQYLSRUSA-N 2 2 381.495 3.652 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cnc5ccccc5c4Cl)C[C@H]3C2)cn1 ZINC001248812141 1036176995 /nfs/dbraw/zinc/17/69/95/1036176995.db2.gz XGBQQFDXMGAGPP-IEBWSBKVSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cnc5ccccc5c4Cl)C[C@H]3C2)cn1 ZINC001248812141 1036177001 /nfs/dbraw/zinc/17/70/01/1036177001.db2.gz XGBQQFDXMGAGPP-IEBWSBKVSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cnc5ccccc5c4Cl)C[C@H]3C2)cn1 ZINC001248812141 1036177008 /nfs/dbraw/zinc/17/70/08/1036177008.db2.gz XGBQQFDXMGAGPP-IEBWSBKVSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cnc5ccccc5c4Cl)C[C@H]3C2)cn1 ZINC001248812141 1036177016 /nfs/dbraw/zinc/17/70/16/1036177016.db2.gz XGBQQFDXMGAGPP-IEBWSBKVSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC001462074005 1069980699 /nfs/dbraw/zinc/98/06/99/1069980699.db2.gz WDMSLBHAWKTTQX-HXUWFJFHSA-N 2 2 398.551 3.900 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC001462074005 1069980702 /nfs/dbraw/zinc/98/07/02/1069980702.db2.gz WDMSLBHAWKTTQX-HXUWFJFHSA-N 2 2 398.551 3.900 20 0 GHADLP C[C@]1([NH2+]C[C@@H](O)c2cc(Cl)cc3c2-c2ccc(Cl)cc2C3)CC[NH2+]C1 ZINC001245993163 1037115226 /nfs/dbraw/zinc/11/52/26/1037115226.db2.gz NASMJSDOUJOSEZ-QUCCMNQESA-N 2 2 377.315 3.940 20 0 GHADLP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246045106 1037157700 /nfs/dbraw/zinc/15/77/00/1037157700.db2.gz JULITPUFJKDNMS-JOCHJYFZSA-N 2 2 394.987 3.503 20 0 GHADLP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246045106 1037157718 /nfs/dbraw/zinc/15/77/18/1037157718.db2.gz JULITPUFJKDNMS-JOCHJYFZSA-N 2 2 394.987 3.503 20 0 GHADLP CCCOC[C@H](O)C[N@@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001246068016 1037182653 /nfs/dbraw/zinc/18/26/53/1037182653.db2.gz RAROFIIFOZSMHN-HSZRJFAPSA-N 2 2 394.559 3.571 20 0 GHADLP CCCOC[C@H](O)C[N@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001246068016 1037182670 /nfs/dbraw/zinc/18/26/70/1037182670.db2.gz RAROFIIFOZSMHN-HSZRJFAPSA-N 2 2 394.559 3.571 20 0 GHADLP Nc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(OC(F)(F)F)c1 ZINC001246342394 1037304342 /nfs/dbraw/zinc/30/43/42/1037304342.db2.gz HUIYKFBMTNTUCA-UHFFFAOYSA-N 2 2 393.453 3.964 20 0 GHADLP CCOC(=O)c1csc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)c1 ZINC001246348557 1037308086 /nfs/dbraw/zinc/30/80/86/1037308086.db2.gz SBEVFSKUMXFNHL-APWZRJJASA-N 2 2 376.497 3.955 20 0 GHADLP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC)cc2Br)C[C@H](CC)[NH2+]1 ZINC001246357093 1037315210 /nfs/dbraw/zinc/31/52/10/1037315210.db2.gz VSPVITXTKYTDED-MUJYYYPQSA-N 2 2 383.330 3.635 20 0 GHADLP FC(F)(F)c1cccc(CC2([NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)CC[NH2+]CC2)c1 ZINC001246432336 1037393930 /nfs/dbraw/zinc/39/39/30/1037393930.db2.gz XGIXRMDODVFPTE-GOSISDBHSA-N 3 2 381.486 3.634 20 0 GHADLP CC1([NH2+][C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001246468535 1037420030 /nfs/dbraw/zinc/42/00/30/1037420030.db2.gz YPUPNCATLFFXQB-BJKOFHAPSA-N 3 2 377.576 3.994 20 0 GHADLP FC1(F)C[NH2+]CC[C@@H]1CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246487791 1037434918 /nfs/dbraw/zinc/43/49/18/1037434918.db2.gz MJPDROQKMILNKN-NCYKPQTJSA-N 3 2 377.523 3.797 20 0 GHADLP FC1(F)C[NH2+]CC[C@@H]1CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246487791 1037434929 /nfs/dbraw/zinc/43/49/29/1037434929.db2.gz MJPDROQKMILNKN-NCYKPQTJSA-N 3 2 377.523 3.797 20 0 GHADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H]2CCc3ccc(Br)cc3C2)c1 ZINC001246513020 1037450652 /nfs/dbraw/zinc/45/06/52/1037450652.db2.gz UQTWXYFVFIECBN-MJGOQNOKSA-N 2 2 375.310 3.605 20 0 GHADLP CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+]([C@H]3CC[C@H](C)[NH2+]C3)CC2)c2ccccc21 ZINC001246749876 1037587858 /nfs/dbraw/zinc/58/78/58/1037587858.db2.gz CCNJHOZKCNYPOQ-HBMCJLEFSA-N 2 2 397.607 3.907 20 0 GHADLP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)CC[NH2+]1 ZINC001246756997 1037598325 /nfs/dbraw/zinc/59/83/25/1037598325.db2.gz YCSXIFFXFIEXCH-MMOPVJDHSA-N 2 2 375.582 3.734 20 0 GHADLP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)CC[NH2+]1 ZINC001246756997 1037598339 /nfs/dbraw/zinc/59/83/39/1037598339.db2.gz YCSXIFFXFIEXCH-MMOPVJDHSA-N 2 2 375.582 3.734 20 0 GHADLP CC(C)(C)[C@H]1C[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246759089 1037602147 /nfs/dbraw/zinc/60/21/47/1037602147.db2.gz PZAXICVWPSAKMO-FGZHOGPDSA-N 3 2 385.596 3.520 20 0 GHADLP CC(C)(C)[C@H]1C[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246759089 1037602150 /nfs/dbraw/zinc/60/21/50/1037602150.db2.gz PZAXICVWPSAKMO-FGZHOGPDSA-N 3 2 385.596 3.520 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1C ZINC001462201969 1070079746 /nfs/dbraw/zinc/07/97/46/1070079746.db2.gz LAVHCELJUWDHEK-YADHBBJMSA-N 2 2 375.472 3.997 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH2+]1 ZINC001246825507 1037657504 /nfs/dbraw/zinc/65/75/04/1037657504.db2.gz VPGYUTKSBXUOGV-CDNNERCOSA-N 2 2 379.523 3.886 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH2+]1 ZINC001246825507 1037657523 /nfs/dbraw/zinc/65/75/23/1037657523.db2.gz VPGYUTKSBXUOGV-CDNNERCOSA-N 2 2 379.523 3.886 20 0 GHADLP O=C(c1ccc(Cl)cc1)N1CCC[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC001246886849 1037700546 /nfs/dbraw/zinc/70/05/46/1037700546.db2.gz JGJJRQGVFJTQGR-FGZHOGPDSA-N 2 2 397.950 3.981 20 0 GHADLP O=C(c1ccc(Cl)cc1)N1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC001246886849 1037700561 /nfs/dbraw/zinc/70/05/61/1037700561.db2.gz JGJJRQGVFJTQGR-FGZHOGPDSA-N 2 2 397.950 3.981 20 0 GHADLP O=C(c1ccc(Cl)cc1)N1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC001246886856 1037701658 /nfs/dbraw/zinc/70/16/58/1037701658.db2.gz JGJJRQGVFJTQGR-YADHBBJMSA-N 2 2 397.950 3.981 20 0 GHADLP O=C(c1ccc(Cl)cc1)N1CCC[N@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC001246886856 1037701670 /nfs/dbraw/zinc/70/16/70/1037701670.db2.gz JGJJRQGVFJTQGR-YADHBBJMSA-N 2 2 397.950 3.981 20 0 GHADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)Cc2ccccc21 ZINC001246903600 1037714783 /nfs/dbraw/zinc/71/47/83/1037714783.db2.gz ATURNWFJQRBWCY-QIJUGHKUSA-N 2 2 382.479 3.700 20 0 GHADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)Cc2ccccc21 ZINC001246903600 1037714803 /nfs/dbraw/zinc/71/48/03/1037714803.db2.gz ATURNWFJQRBWCY-QIJUGHKUSA-N 2 2 382.479 3.700 20 0 GHADLP Fc1cc(F)c(C[N@H+](C2CC[NH2+]CC2)[C@H]2CCC[C@]3(CC[NH2+]C3)C2)c(F)c1 ZINC001246958561 1037774014 /nfs/dbraw/zinc/77/40/14/1037774014.db2.gz SMXJUODNEJLLQJ-UWJYYQICSA-N 3 2 381.486 3.580 20 0 GHADLP Fc1cc(F)c(C[N@@H+](C2CC[NH2+]CC2)[C@H]2CCC[C@]3(CC[NH2+]C3)C2)c(F)c1 ZINC001246958561 1037774020 /nfs/dbraw/zinc/77/40/20/1037774020.db2.gz SMXJUODNEJLLQJ-UWJYYQICSA-N 3 2 381.486 3.580 20 0 GHADLP COc1cc(OC2CC[NH+]([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)ccn1 ZINC001246979708 1037804557 /nfs/dbraw/zinc/80/45/57/1037804557.db2.gz ZYVWTNKINPFUFA-PGRDOPGGSA-N 2 2 399.510 3.874 20 0 GHADLP CCOC(=O)[C@@H]1c2ccc(Cl)cc2CC[N@@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001247005441 1037830138 /nfs/dbraw/zinc/83/01/38/1037830138.db2.gz UEAPOZHKTGSJLZ-MJGOQNOKSA-N 2 2 376.928 3.725 20 0 GHADLP CCOC(=O)[C@@H]1c2ccc(Cl)cc2CC[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001247005441 1037830160 /nfs/dbraw/zinc/83/01/60/1037830160.db2.gz UEAPOZHKTGSJLZ-MJGOQNOKSA-N 2 2 376.928 3.725 20 0 GHADLP Cc1c(F)cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc1F ZINC001232421119 1038202348 /nfs/dbraw/zinc/20/23/48/1038202348.db2.gz GHJGJYWMOLHWNQ-UHFFFAOYSA-N 2 2 376.447 3.733 20 0 GHADLP Cc1c(F)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc1F ZINC001232421119 1038202362 /nfs/dbraw/zinc/20/23/62/1038202362.db2.gz GHJGJYWMOLHWNQ-UHFFFAOYSA-N 2 2 376.447 3.733 20 0 GHADLP FC(F)(F)c1cc(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)ccc1Cl ZINC001247863288 1038434560 /nfs/dbraw/zinc/43/45/60/1038434560.db2.gz ZKCWZTZLHIGANE-ZDUSSCGKSA-N 2 2 386.805 3.956 20 0 GHADLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3F)CC2)CC1 ZINC001232921221 1038711016 /nfs/dbraw/zinc/71/10/16/1038711016.db2.gz QEJUFBIBSIMTDG-UHFFFAOYSA-N 2 2 397.538 3.617 20 0 GHADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cccc(OC)c3NC(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001233131043 1038915061 /nfs/dbraw/zinc/91/50/61/1038915061.db2.gz XTSHGNOLODUVKP-ROUUACIJSA-N 2 2 389.540 3.816 20 0 GHADLP CC(C)OC[C@H](O)C[N@@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001252681945 1039077700 /nfs/dbraw/zinc/07/77/00/1039077700.db2.gz WXDIMTDJMOPCCA-HSZRJFAPSA-N 2 2 394.559 3.570 20 0 GHADLP CC(C)OC[C@H](O)C[N@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001252681945 1039077725 /nfs/dbraw/zinc/07/77/25/1039077725.db2.gz WXDIMTDJMOPCCA-HSZRJFAPSA-N 2 2 394.559 3.570 20 0 GHADLP O=c1ccc2c(C[NH+]3CCC([N@@H+]4CCc5ccccc5C4)CC3)ccc(O)c2[nH]1 ZINC001233294589 1039081925 /nfs/dbraw/zinc/08/19/25/1039081925.db2.gz RRCQGZBZTKNNGP-UHFFFAOYSA-N 2 2 389.499 3.669 20 0 GHADLP O=c1ccc2c(C[NH+]3CCC([N@H+]4CCc5ccccc5C4)CC3)ccc(O)c2[nH]1 ZINC001233294589 1039081941 /nfs/dbraw/zinc/08/19/41/1039081941.db2.gz RRCQGZBZTKNNGP-UHFFFAOYSA-N 2 2 389.499 3.669 20 0 GHADLP Fc1cc(F)cc(-c2n[nH]cc2C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001233405444 1039252329 /nfs/dbraw/zinc/25/23/29/1039252329.db2.gz YLFVRIZAUILQTQ-WOJBJXKFSA-N 2 2 394.469 3.919 20 0 GHADLP CC(C)C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nc2ccccc2[nH]1 ZINC001252948985 1039291523 /nfs/dbraw/zinc/29/15/23/1039291523.db2.gz DFDQGHBEMQAKMW-VWNXMTODSA-N 2 2 392.547 3.877 20 0 GHADLP CC(C)C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccc2[nH]1 ZINC001252948985 1039291532 /nfs/dbraw/zinc/29/15/32/1039291532.db2.gz DFDQGHBEMQAKMW-VWNXMTODSA-N 2 2 392.547 3.877 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](C[C@](C)(O)c1ccccc1)C2 ZINC001253099164 1039422829 /nfs/dbraw/zinc/42/28/29/1039422829.db2.gz FZWKMHOSHDIEJN-DEOSSOPVSA-N 2 2 391.515 3.572 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](C[C@](C)(O)c1ccccc1)C2 ZINC001253099164 1039422837 /nfs/dbraw/zinc/42/28/37/1039422837.db2.gz FZWKMHOSHDIEJN-DEOSSOPVSA-N 2 2 391.515 3.572 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](C[C@](C)(O)c1ccccc1)C2 ZINC001253099164 1039422842 /nfs/dbraw/zinc/42/28/42/1039422842.db2.gz FZWKMHOSHDIEJN-DEOSSOPVSA-N 2 2 391.515 3.572 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](C[C@](C)(O)c1ccccc1)C2 ZINC001253099164 1039422852 /nfs/dbraw/zinc/42/28/52/1039422852.db2.gz FZWKMHOSHDIEJN-DEOSSOPVSA-N 2 2 391.515 3.572 20 0 GHADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC001253377603 1039588223 /nfs/dbraw/zinc/58/82/23/1039588223.db2.gz VDGMOXUUUSZQLS-OAQYLSRUSA-N 2 2 378.438 3.700 20 0 GHADLP CC(C)C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C(=O)Nc1cccc2ccccc21 ZINC001253411384 1039605597 /nfs/dbraw/zinc/60/55/97/1039605597.db2.gz KDAYQPAENRAMCG-RXVVDRJESA-N 2 2 385.552 3.532 20 0 GHADLP CCCc1noc([C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(OC)c3)C2)n1 ZINC001234075281 1039809549 /nfs/dbraw/zinc/80/95/49/1039809549.db2.gz IELKNFZERHCFBW-KRWDZBQOSA-N 2 2 381.480 3.596 20 0 GHADLP CCCc1noc([C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(OC)c3)C2)n1 ZINC001234075281 1039809573 /nfs/dbraw/zinc/80/95/73/1039809573.db2.gz IELKNFZERHCFBW-KRWDZBQOSA-N 2 2 381.480 3.596 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](C4CCC5(CC5)CC4)CC[C@@H]3C2)cs1 ZINC001254444254 1040235954 /nfs/dbraw/zinc/23/59/54/1040235954.db2.gz PQUPWGZWMSCSKN-YLJYHZDGSA-N 2 2 375.582 3.697 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](C4CCC5(CC5)CC4)CC[C@@H]3C2)cs1 ZINC001254444254 1040235965 /nfs/dbraw/zinc/23/59/65/1040235965.db2.gz PQUPWGZWMSCSKN-YLJYHZDGSA-N 2 2 375.582 3.697 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](C4CCC5(CC5)CC4)CC[C@@H]3C2)cs1 ZINC001254444254 1040235981 /nfs/dbraw/zinc/23/59/81/1040235981.db2.gz PQUPWGZWMSCSKN-YLJYHZDGSA-N 2 2 375.582 3.697 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](C4CCC5(CC5)CC4)CC[C@@H]3C2)cs1 ZINC001254444254 1040235998 /nfs/dbraw/zinc/23/59/98/1040235998.db2.gz PQUPWGZWMSCSKN-YLJYHZDGSA-N 2 2 375.582 3.697 20 0 GHADLP CC[N@H+](Cc1ccccc1OCc1ccc(C(=O)OC)cc1)C1CC[NH+](C)CC1 ZINC001234797533 1040327587 /nfs/dbraw/zinc/32/75/87/1040327587.db2.gz SFFYMOAAUCVQLU-UHFFFAOYSA-N 2 2 396.531 3.968 20 0 GHADLP CC[N@@H+](Cc1ccccc1OCc1ccc(C(=O)OC)cc1)C1CC[NH+](C)CC1 ZINC001234797533 1040327606 /nfs/dbraw/zinc/32/76/06/1040327606.db2.gz SFFYMOAAUCVQLU-UHFFFAOYSA-N 2 2 396.531 3.968 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1CCN(c3ccc(F)cc3)CC1)[C@H]2C ZINC001254624815 1040400616 /nfs/dbraw/zinc/40/06/16/1040400616.db2.gz BFDMZOQWVBJMOZ-SFHVURJKSA-N 2 2 399.558 3.908 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CCN(c3ccc(F)cc3)CC1)[C@H]2C ZINC001254624815 1040400624 /nfs/dbraw/zinc/40/06/24/1040400624.db2.gz BFDMZOQWVBJMOZ-SFHVURJKSA-N 2 2 399.558 3.908 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C1CCN(c3ccc(F)cc3)CC1)[C@H]2C ZINC001254624815 1040400629 /nfs/dbraw/zinc/40/06/29/1040400629.db2.gz BFDMZOQWVBJMOZ-SFHVURJKSA-N 2 2 399.558 3.908 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1CCN(c3ccc(F)cc3)CC1)[C@H]2C ZINC001254624815 1040400637 /nfs/dbraw/zinc/40/06/37/1040400637.db2.gz BFDMZOQWVBJMOZ-SFHVURJKSA-N 2 2 399.558 3.908 20 0 GHADLP COC(=O)c1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccc1OC ZINC001234953183 1040457648 /nfs/dbraw/zinc/45/76/48/1040457648.db2.gz NMVYRQZCOHIWPI-UHFFFAOYSA-N 2 2 382.504 3.578 20 0 GHADLP COC(=O)c1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccc1OC ZINC001234953183 1040457661 /nfs/dbraw/zinc/45/76/61/1040457661.db2.gz NMVYRQZCOHIWPI-UHFFFAOYSA-N 2 2 382.504 3.578 20 0 GHADLP Brc1cc(C[N@@H+]2CC[C@@H](COCC3CC3)C2)ccc1-n1cc[nH+]c1 ZINC001235034910 1040528674 /nfs/dbraw/zinc/52/86/74/1040528674.db2.gz VWNNURNNQHMWLC-QGZVFWFLSA-N 2 2 390.325 3.883 20 0 GHADLP Brc1cc(C[N@H+]2CC[C@@H](COCC3CC3)C2)ccc1-n1cc[nH+]c1 ZINC001235034910 1040528693 /nfs/dbraw/zinc/52/86/93/1040528693.db2.gz VWNNURNNQHMWLC-QGZVFWFLSA-N 2 2 390.325 3.883 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254789132 1040549056 /nfs/dbraw/zinc/54/90/56/1040549056.db2.gz OBAKHHZFJMQFMD-ZWKOTPCHSA-N 2 2 387.524 3.633 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254789132 1040549063 /nfs/dbraw/zinc/54/90/63/1040549063.db2.gz OBAKHHZFJMQFMD-ZWKOTPCHSA-N 2 2 387.524 3.633 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(N4CCCC4)c3)CC2)C1 ZINC001235083380 1040568153 /nfs/dbraw/zinc/56/81/53/1040568153.db2.gz CCBRCZPLGWDAGG-OAQYLSRUSA-N 2 2 399.579 3.526 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(N4CCCC4)c3)CC2)C1 ZINC001235083380 1040568168 /nfs/dbraw/zinc/56/81/68/1040568168.db2.gz CCBRCZPLGWDAGG-OAQYLSRUSA-N 2 2 399.579 3.526 20 0 GHADLP Brc1ccc(C2(C[NH2+][C@@H]3CC4CC[NH+](CC4)C3)CCOCC2)cc1 ZINC001254847485 1040592273 /nfs/dbraw/zinc/59/22/73/1040592273.db2.gz FFDLDEPRIGFTND-LJQANCHMSA-N 2 2 393.369 3.571 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)cn2)cc1 ZINC001235112209 1040599296 /nfs/dbraw/zinc/59/92/96/1040599296.db2.gz YSOSUJLYRIKFPO-UHFFFAOYSA-N 2 2 377.410 3.975 20 0 GHADLP CC(C)(C)OC(=O)N1CCCCC12CC[NH+]([C@@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254857381 1040601159 /nfs/dbraw/zinc/60/11/59/1040601159.db2.gz ZNQGTVDPUSWXHM-LJQANCHMSA-N 2 2 377.573 3.726 20 0 GHADLP Clc1ccc(-c2ccc(C[N@@H+]3CCCO[C@@]4(C[NH2+]CCOC4)C3)cc2)cc1 ZINC001235200572 1040687912 /nfs/dbraw/zinc/68/79/12/1040687912.db2.gz NTHZJUHNVBNFCW-QFIPXVFZSA-N 2 2 386.923 3.588 20 0 GHADLP Clc1ccc(-c2ccc(C[N@H+]3CCCO[C@@]4(C[NH2+]CCOC4)C3)cc2)cc1 ZINC001235200572 1040687923 /nfs/dbraw/zinc/68/79/23/1040687923.db2.gz NTHZJUHNVBNFCW-QFIPXVFZSA-N 2 2 386.923 3.588 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1cccc(-c3ccc(C)cc3)c1)CC2 ZINC001235307489 1040781372 /nfs/dbraw/zinc/78/13/72/1040781372.db2.gz AOFMOMSVENAFFA-UHFFFAOYSA-N 2 2 391.559 3.838 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1cccc(-c3ccc(C)cc3)c1)CC2 ZINC001235307489 1040781382 /nfs/dbraw/zinc/78/13/82/1040781382.db2.gz AOFMOMSVENAFFA-UHFFFAOYSA-N 2 2 391.559 3.838 20 0 GHADLP Cc1ccc(F)cc1C[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255108221 1040788657 /nfs/dbraw/zinc/78/86/57/1040788657.db2.gz LTGMPURHNVLJFD-DEOSSOPVSA-N 2 2 381.539 3.963 20 0 GHADLP Cc1ccc(F)cc1C[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255108221 1040788670 /nfs/dbraw/zinc/78/86/70/1040788670.db2.gz LTGMPURHNVLJFD-DEOSSOPVSA-N 2 2 381.539 3.963 20 0 GHADLP Cc1cc(F)ccc1C[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255108784 1040790027 /nfs/dbraw/zinc/79/00/27/1040790027.db2.gz YQHADZCFSNUAKJ-XMMPIXPASA-N 2 2 381.539 3.963 20 0 GHADLP Cc1cc(F)ccc1C[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255108784 1040790039 /nfs/dbraw/zinc/79/00/39/1040790039.db2.gz YQHADZCFSNUAKJ-XMMPIXPASA-N 2 2 381.539 3.963 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235348188 1040821836 /nfs/dbraw/zinc/82/18/36/1040821836.db2.gz CQXAFYWOUCBRMS-LGPLSSKUSA-N 3 2 389.587 3.978 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235348188 1040821866 /nfs/dbraw/zinc/82/18/66/1040821866.db2.gz CQXAFYWOUCBRMS-LGPLSSKUSA-N 3 2 389.587 3.978 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235348188 1040821921 /nfs/dbraw/zinc/82/19/21/1040821921.db2.gz CQXAFYWOUCBRMS-LGPLSSKUSA-N 3 2 389.587 3.978 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235348188 1040821937 /nfs/dbraw/zinc/82/19/37/1040821937.db2.gz CQXAFYWOUCBRMS-LGPLSSKUSA-N 3 2 389.587 3.978 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccnc(OCC4CCC4)n2)C3)cc1 ZINC001255130753 1040824983 /nfs/dbraw/zinc/82/49/83/1040824983.db2.gz ABHDOEVWYPMFNE-NUNAXRQHSA-N 2 2 392.547 3.941 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccnc(OCC4CCC4)n2)C3)cc1 ZINC001255130753 1040825000 /nfs/dbraw/zinc/82/50/00/1040825000.db2.gz ABHDOEVWYPMFNE-NUNAXRQHSA-N 2 2 392.547 3.941 20 0 GHADLP FC(F)(F)Cn1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001255132120 1040828731 /nfs/dbraw/zinc/82/87/31/1040828731.db2.gz JJOIFZQEHVCFLJ-LDLYASANSA-N 2 2 378.442 3.731 20 0 GHADLP FC(F)(F)Cn1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001255132120 1040828751 /nfs/dbraw/zinc/82/87/51/1040828751.db2.gz JJOIFZQEHVCFLJ-LDLYASANSA-N 2 2 378.442 3.731 20 0 GHADLP Oc1ccc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(C(F)(F)F)c1 ZINC001235355283 1040834199 /nfs/dbraw/zinc/83/41/99/1040834199.db2.gz MPUXSMGETAMYAT-WOJBJXKFSA-N 2 2 376.422 3.990 20 0 GHADLP Oc1ccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(C(F)(F)F)c1 ZINC001235355283 1040834209 /nfs/dbraw/zinc/83/42/09/1040834209.db2.gz MPUXSMGETAMYAT-WOJBJXKFSA-N 2 2 376.422 3.990 20 0 GHADLP Clc1ncnc(Cl)c1CC[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235363536 1040850387 /nfs/dbraw/zinc/85/03/87/1040850387.db2.gz RAKGVAORKYCEOO-OXQOHEQNSA-N 2 2 391.346 3.579 20 0 GHADLP Clc1ncnc(Cl)c1CC[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235363536 1040850405 /nfs/dbraw/zinc/85/04/05/1040850405.db2.gz RAKGVAORKYCEOO-OXQOHEQNSA-N 2 2 391.346 3.579 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)C1 ZINC001255350128 1040956005 /nfs/dbraw/zinc/95/60/05/1040956005.db2.gz RJLBRBQMVOHATR-UTKZUKDTSA-N 2 2 376.516 3.810 20 0 GHADLP Cc1cccn2c(CN3CC[NH2+][C@@H](c4cccc(Br)c4)C3)c[nH+]c12 ZINC001235794226 1041291766 /nfs/dbraw/zinc/29/17/66/1041291766.db2.gz SOIUGKIUZIUZHV-GOSISDBHSA-N 2 2 385.309 3.552 20 0 GHADLP COc1cccc(OC)c1C[NH+]1CCC([NH+]2CCC3(CCCOC3)CC2)CC1 ZINC001255937093 1041426742 /nfs/dbraw/zinc/42/67/42/1041426742.db2.gz FMMPNTLFTQOQCR-UHFFFAOYSA-N 2 2 388.552 3.561 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001255960946 1041439714 /nfs/dbraw/zinc/43/97/14/1041439714.db2.gz BDPSPDQHAHOXSF-JOCHJYFZSA-N 3 2 387.612 3.782 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001255960946 1041439717 /nfs/dbraw/zinc/43/97/17/1041439717.db2.gz BDPSPDQHAHOXSF-JOCHJYFZSA-N 3 2 387.612 3.782 20 0 GHADLP Cn1nc(C(F)(F)F)c(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1Cl ZINC001235975854 1041481954 /nfs/dbraw/zinc/48/19/54/1041481954.db2.gz XKNBPCSXROEKQS-UHFFFAOYSA-N 2 2 398.860 3.729 20 0 GHADLP Cn1nc(C(F)(F)F)c(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1Cl ZINC001235975854 1041481970 /nfs/dbraw/zinc/48/19/70/1041481970.db2.gz XKNBPCSXROEKQS-UHFFFAOYSA-N 2 2 398.860 3.729 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC001256069943 1041505858 /nfs/dbraw/zinc/50/58/58/1041505858.db2.gz QIZKMPYOEUJPMG-FQVISZRSSA-N 2 2 390.597 3.543 20 0 GHADLP CC(C)(C)OC(=O)N1CCC([N@H+](C2CCC2)C2CC[NH+](C3CC3)CC2)CC1 ZINC001256083885 1041514003 /nfs/dbraw/zinc/51/40/03/1041514003.db2.gz XBQBITPFCZRRMM-UHFFFAOYSA-N 2 2 377.573 3.867 20 0 GHADLP CC(C)(C)OC(=O)N1CCC([N@@H+](C2CCC2)C2CC[NH+](C3CC3)CC2)CC1 ZINC001256083885 1041514010 /nfs/dbraw/zinc/51/40/10/1041514010.db2.gz XBQBITPFCZRRMM-UHFFFAOYSA-N 2 2 377.573 3.867 20 0 GHADLP [NH3+]C1CN([C@H]2CCC[N@H+](Cc3c(Cl)cc(C(F)(F)F)cc3Cl)C2)C1 ZINC001236077492 1041523799 /nfs/dbraw/zinc/52/37/99/1041523799.db2.gz IGRJEOHFFTWCMB-LBPRGKRZSA-N 2 2 382.257 3.620 20 0 GHADLP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3c(Cl)cc(C(F)(F)F)cc3Cl)C2)C1 ZINC001236077492 1041523804 /nfs/dbraw/zinc/52/38/04/1041523804.db2.gz IGRJEOHFFTWCMB-LBPRGKRZSA-N 2 2 382.257 3.620 20 0 GHADLP COc1ncc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1Br ZINC001236299672 1041665388 /nfs/dbraw/zinc/66/53/88/1041665388.db2.gz INDGUFBJTLJZQM-UHFFFAOYSA-N 2 2 390.325 3.607 20 0 GHADLP COc1ncc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1Br ZINC001236299672 1041665394 /nfs/dbraw/zinc/66/53/94/1041665394.db2.gz INDGUFBJTLJZQM-UHFFFAOYSA-N 2 2 390.325 3.607 20 0 GHADLP CCOCC[N@H+](Cc1cc(Cl)ccc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC001236462220 1041724534 /nfs/dbraw/zinc/72/45/34/1041724534.db2.gz SFAQNVJLBJYZSO-UHFFFAOYSA-N 2 2 380.838 3.829 20 0 GHADLP CCOCC[N@@H+](Cc1cc(Cl)ccc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC001236462220 1041724542 /nfs/dbraw/zinc/72/45/42/1041724542.db2.gz SFAQNVJLBJYZSO-UHFFFAOYSA-N 2 2 380.838 3.829 20 0 GHADLP Cc1cc(F)ccc1C[N@@H+](Cc1ccc(Br)n1C)C1CC[NH2+]CC1 ZINC001236521444 1041751673 /nfs/dbraw/zinc/75/16/73/1041751673.db2.gz BLPJISQXSGLGDR-UHFFFAOYSA-N 2 2 394.332 3.989 20 0 GHADLP Cc1cc(F)ccc1C[N@H+](Cc1ccc(Br)n1C)C1CC[NH2+]CC1 ZINC001236521444 1041751679 /nfs/dbraw/zinc/75/16/79/1041751679.db2.gz BLPJISQXSGLGDR-UHFFFAOYSA-N 2 2 394.332 3.989 20 0 GHADLP Brc1cc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cc2c1OCO2 ZINC001236655037 1041806110 /nfs/dbraw/zinc/80/61/10/1041806110.db2.gz YUCXSDZLLYNSDJ-HNNXBMFYSA-N 2 2 381.314 3.674 20 0 GHADLP Brc1cc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cc2c1OCO2 ZINC001236655037 1041806112 /nfs/dbraw/zinc/80/61/12/1041806112.db2.gz YUCXSDZLLYNSDJ-HNNXBMFYSA-N 2 2 381.314 3.674 20 0 GHADLP COc1ccccc1C[N@H+](Cc1cc(F)c(O)cc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236709623 1041846997 /nfs/dbraw/zinc/84/69/97/1041846997.db2.gz JWLNVIMQZBGHCL-QAQDUYKDSA-N 2 2 376.447 3.951 20 0 GHADLP COc1ccccc1C[N@@H+](Cc1cc(F)c(O)cc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236709623 1041847004 /nfs/dbraw/zinc/84/70/04/1041847004.db2.gz JWLNVIMQZBGHCL-QAQDUYKDSA-N 2 2 376.447 3.951 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cccc4occc43)CC2)C1 ZINC001236747403 1041870732 /nfs/dbraw/zinc/87/07/32/1041870732.db2.gz WRCWCRXGQYNZLN-GOSISDBHSA-N 2 2 399.535 3.996 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](Cc3cccc4occc43)CC2)C1 ZINC001236747403 1041870738 /nfs/dbraw/zinc/87/07/38/1041870738.db2.gz WRCWCRXGQYNZLN-GOSISDBHSA-N 2 2 399.535 3.996 20 0 GHADLP CN(CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)C(=O)OC(C)(C)C ZINC001236903064 1041947948 /nfs/dbraw/zinc/94/79/48/1041947948.db2.gz LIRCVDIJAPDNCA-UHFFFAOYSA-N 2 2 378.904 3.824 20 0 GHADLP CN(CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)C(=O)OC(C)(C)C ZINC001236903064 1041947951 /nfs/dbraw/zinc/94/79/51/1041947951.db2.gz LIRCVDIJAPDNCA-UHFFFAOYSA-N 2 2 378.904 3.824 20 0 GHADLP CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC[C@H]21 ZINC001236903997 1041948649 /nfs/dbraw/zinc/94/86/49/1041948649.db2.gz LDXMQSBAWWAQGL-PKOBYXMFSA-N 2 2 386.927 3.605 20 0 GHADLP CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC[C@H]21 ZINC001236903997 1041948653 /nfs/dbraw/zinc/94/86/53/1041948653.db2.gz LDXMQSBAWWAQGL-PKOBYXMFSA-N 2 2 386.927 3.605 20 0 GHADLP COC(=O)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@@H]1c1ccccc1 ZINC001236911263 1041953481 /nfs/dbraw/zinc/95/34/81/1041953481.db2.gz WXMUHZKKUHPAOL-RTBURBONSA-N 2 2 395.890 3.914 20 0 GHADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@@H]1c1ccccc1 ZINC001236911263 1041953483 /nfs/dbraw/zinc/95/34/83/1041953483.db2.gz WXMUHZKKUHPAOL-RTBURBONSA-N 2 2 395.890 3.914 20 0 GHADLP O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236916310 1041956378 /nfs/dbraw/zinc/95/63/78/1041956378.db2.gz CQBXTGSVEABRAI-NRFANRHFSA-N 2 2 378.863 3.622 20 0 GHADLP O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236916310 1041956382 /nfs/dbraw/zinc/95/63/82/1041956382.db2.gz CQBXTGSVEABRAI-NRFANRHFSA-N 2 2 378.863 3.622 20 0 GHADLP CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236922258 1041960268 /nfs/dbraw/zinc/96/02/68/1041960268.db2.gz OZLVISQNMSKNLE-NRFANRHFSA-N 2 2 386.927 3.749 20 0 GHADLP CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236922258 1041960272 /nfs/dbraw/zinc/96/02/72/1041960272.db2.gz OZLVISQNMSKNLE-NRFANRHFSA-N 2 2 386.927 3.749 20 0 GHADLP COc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)nc1 ZINC001236928444 1041962162 /nfs/dbraw/zinc/96/21/62/1041962162.db2.gz LLXPJWXUOSOCKY-LJQANCHMSA-N 2 2 398.894 3.973 20 0 GHADLP COc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)nc1 ZINC001236928444 1041962165 /nfs/dbraw/zinc/96/21/65/1041962165.db2.gz LLXPJWXUOSOCKY-LJQANCHMSA-N 2 2 398.894 3.973 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(OC)c1Cl)C2 ZINC001237192024 1042087596 /nfs/dbraw/zinc/08/75/96/1042087596.db2.gz SFURVTBHOKZXPA-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(OC)c1Cl)C2 ZINC001237192024 1042087604 /nfs/dbraw/zinc/08/76/04/1042087604.db2.gz SFURVTBHOKZXPA-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(OC)c1Cl)C2 ZINC001237192024 1042087613 /nfs/dbraw/zinc/08/76/13/1042087613.db2.gz SFURVTBHOKZXPA-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(OC)c1Cl)C2 ZINC001237192024 1042087617 /nfs/dbraw/zinc/08/76/17/1042087617.db2.gz SFURVTBHOKZXPA-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1OC(=O)c1cccs1 ZINC001237393767 1042187368 /nfs/dbraw/zinc/18/73/68/1042187368.db2.gz SSEBYCNIDIKWNV-SJORKVTESA-N 2 2 386.517 3.550 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1OC(=O)c1cccs1 ZINC001237393767 1042187373 /nfs/dbraw/zinc/18/73/73/1042187373.db2.gz SSEBYCNIDIKWNV-SJORKVTESA-N 2 2 386.517 3.550 20 0 GHADLP COc1ccc2c(c1)n[nH]c2C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001237393584 1042187468 /nfs/dbraw/zinc/18/74/68/1042187468.db2.gz CYPSXIFYILONMC-UXHICEINSA-N 2 2 390.531 3.916 20 0 GHADLP COc1ccc2c(c1)n[nH]c2C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001237393584 1042187472 /nfs/dbraw/zinc/18/74/72/1042187472.db2.gz CYPSXIFYILONMC-UXHICEINSA-N 2 2 390.531 3.916 20 0 GHADLP COc1ccc2c(c1)n[nH]c2C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001237393584 1042187476 /nfs/dbraw/zinc/18/74/76/1042187476.db2.gz CYPSXIFYILONMC-UXHICEINSA-N 2 2 390.531 3.916 20 0 GHADLP COc1ccc2c(c1)n[nH]c2C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001237393584 1042187477 /nfs/dbraw/zinc/18/74/77/1042187477.db2.gz CYPSXIFYILONMC-UXHICEINSA-N 2 2 390.531 3.916 20 0 GHADLP Cc1ccnc2cccc(C[N@@H+]3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)c12 ZINC001237625441 1042291841 /nfs/dbraw/zinc/29/18/41/1042291841.db2.gz UJNNLKSLZVOJTJ-UHFFFAOYSA-N 2 2 377.536 3.941 20 0 GHADLP Cc1ccnc2cccc(C[N@H+]3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)c12 ZINC001237625441 1042291853 /nfs/dbraw/zinc/29/18/53/1042291853.db2.gz UJNNLKSLZVOJTJ-UHFFFAOYSA-N 2 2 377.536 3.941 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(OC(C)C)c(C)c3)CC2)C1 ZINC001237729502 1042344019 /nfs/dbraw/zinc/34/40/19/1042344019.db2.gz CSMOKCYQURPFPH-FQEVSTJZSA-N 2 2 388.552 3.632 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(OC(C)C)c(C)c3)CC2)C1 ZINC001237729502 1042344025 /nfs/dbraw/zinc/34/40/25/1042344025.db2.gz CSMOKCYQURPFPH-FQEVSTJZSA-N 2 2 388.552 3.632 20 0 GHADLP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c(C(F)(F)F)c1OC ZINC001237767555 1042359919 /nfs/dbraw/zinc/35/99/19/1042359919.db2.gz JCOUSCJFQDVKFW-UHFFFAOYSA-N 2 2 395.425 3.748 20 0 GHADLP c1cnn(C[C@@H]2C[C@@H]3C[NH+](Cc4cncc(C5CC5)c4)CC[C@@H]3[N@@H+]2CC2CC2)c1 ZINC001238186601 1042513843 /nfs/dbraw/zinc/51/38/43/1042513843.db2.gz ZCMJXOIYZLQOMV-SGNDLWITSA-N 2 2 391.563 3.531 20 0 GHADLP c1cnn(C[C@@H]2C[C@@H]3C[NH+](Cc4cncc(C5CC5)c4)CC[C@@H]3[N@H+]2CC2CC2)c1 ZINC001238186601 1042513845 /nfs/dbraw/zinc/51/38/45/1042513845.db2.gz ZCMJXOIYZLQOMV-SGNDLWITSA-N 2 2 391.563 3.531 20 0 GHADLP c1cnn(C[C@@H]2C[C@@H]3C[N@H+](Cc4cncc(C5CC5)c4)CC[C@@H]3[NH+]2CC2CC2)c1 ZINC001238186601 1042513849 /nfs/dbraw/zinc/51/38/49/1042513849.db2.gz ZCMJXOIYZLQOMV-SGNDLWITSA-N 2 2 391.563 3.531 20 0 GHADLP c1cnn(C[C@@H]2C[C@@H]3C[N@@H+](Cc4cncc(C5CC5)c4)CC[C@@H]3[NH+]2CC2CC2)c1 ZINC001238186601 1042513851 /nfs/dbraw/zinc/51/38/51/1042513851.db2.gz ZCMJXOIYZLQOMV-SGNDLWITSA-N 2 2 391.563 3.531 20 0 GHADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c(F)c1 ZINC001238440349 1042596504 /nfs/dbraw/zinc/59/65/04/1042596504.db2.gz ITOXKQDYDLOPFP-NFBKMPQASA-N 2 2 390.543 3.793 20 0 GHADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c(F)c1 ZINC001238440349 1042596506 /nfs/dbraw/zinc/59/65/06/1042596506.db2.gz ITOXKQDYDLOPFP-NFBKMPQASA-N 2 2 390.543 3.793 20 0 GHADLP CC(C)Oc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c(F)c1 ZINC001238440349 1042596510 /nfs/dbraw/zinc/59/65/10/1042596510.db2.gz ITOXKQDYDLOPFP-NFBKMPQASA-N 2 2 390.543 3.793 20 0 GHADLP CC(C)Oc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c(F)c1 ZINC001238440349 1042596515 /nfs/dbraw/zinc/59/65/15/1042596515.db2.gz ITOXKQDYDLOPFP-NFBKMPQASA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(C)cc(F)cc1Cl)C2 ZINC001238784053 1042726448 /nfs/dbraw/zinc/72/64/48/1042726448.db2.gz UNKDLJFJCALKAY-UWJYYQICSA-N 2 2 380.935 3.968 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(C)cc(F)cc1Cl)C2 ZINC001238784053 1042726453 /nfs/dbraw/zinc/72/64/53/1042726453.db2.gz UNKDLJFJCALKAY-UWJYYQICSA-N 2 2 380.935 3.968 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1c(C)cc(F)cc1Cl)C2 ZINC001238784053 1042726455 /nfs/dbraw/zinc/72/64/55/1042726455.db2.gz UNKDLJFJCALKAY-UWJYYQICSA-N 2 2 380.935 3.968 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1c(C)cc(F)cc1Cl)C2 ZINC001238784053 1042726461 /nfs/dbraw/zinc/72/64/61/1042726461.db2.gz UNKDLJFJCALKAY-UWJYYQICSA-N 2 2 380.935 3.968 20 0 GHADLP C[C@@H]1C[C@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CCN1C(=O)OC(C)(C)C ZINC001256490645 1043427148 /nfs/dbraw/zinc/42/71/48/1043427148.db2.gz UDZDHMHGSMTKLI-NVXWUHKLSA-N 2 2 392.519 3.567 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(O)c1 ZINC001256529550 1043458378 /nfs/dbraw/zinc/45/83/78/1043458378.db2.gz VHMCYNHODCIQHH-ZNLUXHQJSA-N 2 2 382.504 3.639 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(O)c1 ZINC001256529550 1043458390 /nfs/dbraw/zinc/45/83/90/1043458390.db2.gz VHMCYNHODCIQHH-ZNLUXHQJSA-N 2 2 382.504 3.639 20 0 GHADLP COc1cccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001256535432 1043476503 /nfs/dbraw/zinc/47/65/03/1043476503.db2.gz ZIMYBQXAHQCLFE-ZTCOLXNVSA-N 2 2 393.575 3.912 20 0 GHADLP COc1cccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001256535432 1043476512 /nfs/dbraw/zinc/47/65/12/1043476512.db2.gz ZIMYBQXAHQCLFE-ZTCOLXNVSA-N 2 2 393.575 3.912 20 0 GHADLP COc1cccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001256535432 1043476519 /nfs/dbraw/zinc/47/65/19/1043476519.db2.gz ZIMYBQXAHQCLFE-ZTCOLXNVSA-N 2 2 393.575 3.912 20 0 GHADLP COc1cccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001256535432 1043476523 /nfs/dbraw/zinc/47/65/23/1043476523.db2.gz ZIMYBQXAHQCLFE-ZTCOLXNVSA-N 2 2 393.575 3.912 20 0 GHADLP COc1cccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001256535430 1043477106 /nfs/dbraw/zinc/47/71/06/1043477106.db2.gz ZIMYBQXAHQCLFE-OYDLWJJNSA-N 2 2 393.575 3.912 20 0 GHADLP COc1cccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001256535430 1043477113 /nfs/dbraw/zinc/47/71/13/1043477113.db2.gz ZIMYBQXAHQCLFE-OYDLWJJNSA-N 2 2 393.575 3.912 20 0 GHADLP COc1cccc(C[NH+]2CC[C@H](N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001256535430 1043477126 /nfs/dbraw/zinc/47/71/26/1043477126.db2.gz ZIMYBQXAHQCLFE-OYDLWJJNSA-N 2 2 393.575 3.912 20 0 GHADLP COc1cccc(C[NH+]2CC[C@H](N[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001256535430 1043477145 /nfs/dbraw/zinc/47/71/45/1043477145.db2.gz ZIMYBQXAHQCLFE-OYDLWJJNSA-N 2 2 393.575 3.912 20 0 GHADLP Cc1nccnc1O[C@@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556787 1043527002 /nfs/dbraw/zinc/52/70/02/1043527002.db2.gz IUNZHADGAPGXJW-YUXAGFNASA-N 2 2 380.536 3.681 20 0 GHADLP Cc1nccnc1O[C@@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556787 1043527012 /nfs/dbraw/zinc/52/70/12/1043527012.db2.gz IUNZHADGAPGXJW-YUXAGFNASA-N 2 2 380.536 3.681 20 0 GHADLP Cc1nccnc1O[C@@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556787 1043527020 /nfs/dbraw/zinc/52/70/20/1043527020.db2.gz IUNZHADGAPGXJW-YUXAGFNASA-N 2 2 380.536 3.681 20 0 GHADLP Cc1nccnc1O[C@@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556787 1043527030 /nfs/dbraw/zinc/52/70/30/1043527030.db2.gz IUNZHADGAPGXJW-YUXAGFNASA-N 2 2 380.536 3.681 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCC3(CC2)OC(=O)c2ccncc23)CC[N@@H+]1Cc1ccccc1 ZINC001256559305 1043532727 /nfs/dbraw/zinc/53/27/27/1043532727.db2.gz KOILNMOKNJOVES-ICSRJNTNSA-N 2 2 391.515 3.596 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCC3(CC2)OC(=O)c2ccncc23)CC[N@H+]1Cc1ccccc1 ZINC001256559305 1043532732 /nfs/dbraw/zinc/53/27/32/1043532732.db2.gz KOILNMOKNJOVES-ICSRJNTNSA-N 2 2 391.515 3.596 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@](F)(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256596038 1043561573 /nfs/dbraw/zinc/56/15/73/1043561573.db2.gz RLVGVOKHNQRJAI-QFIPXVFZSA-N 2 2 391.531 3.590 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@](F)(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256596034 1043562361 /nfs/dbraw/zinc/56/23/61/1043562361.db2.gz RLVGVOKHNQRJAI-JOCHJYFZSA-N 2 2 391.531 3.590 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256604890 1043567516 /nfs/dbraw/zinc/56/75/16/1043567516.db2.gz QYUIKJCCOBOEKW-WOJBJXKFSA-N 2 2 391.531 3.588 20 0 GHADLP CC(C)[N@H+](CCNC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256609675 1043574303 /nfs/dbraw/zinc/57/43/03/1043574303.db2.gz QQEZJCKLSSOZRQ-UHFFFAOYSA-N 2 2 375.557 3.886 20 0 GHADLP CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256609675 1043574316 /nfs/dbraw/zinc/57/43/16/1043574316.db2.gz QQEZJCKLSSOZRQ-UHFFFAOYSA-N 2 2 375.557 3.886 20 0 GHADLP CCOc1cccc(N2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001256609596 1043574868 /nfs/dbraw/zinc/57/48/68/1043574868.db2.gz OYEZWWOYIPRLDX-UHFFFAOYSA-N 2 2 379.548 3.872 20 0 GHADLP O=C(N[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)c1ccc(F)cc1 ZINC001256612979 1043577312 /nfs/dbraw/zinc/57/73/12/1043577312.db2.gz UXXYGRALNLSKBQ-JOCHJYFZSA-N 2 2 395.522 3.685 20 0 GHADLP O=C(N[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)c1ccc(F)cc1 ZINC001256612979 1043577320 /nfs/dbraw/zinc/57/73/20/1043577320.db2.gz UXXYGRALNLSKBQ-JOCHJYFZSA-N 2 2 395.522 3.685 20 0 GHADLP COc1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4c(cccc4OC)C3)CC2)cc1 ZINC001256634375 1043584474 /nfs/dbraw/zinc/58/44/74/1043584474.db2.gz ZNOKLRZFJCPCAU-NRFANRHFSA-N 2 2 380.532 3.815 20 0 GHADLP O=C1CCCC[C@@]1([NH2+]C1CCC([NH+]2CCOCC2)CC1)c1ccccc1Cl ZINC001256686191 1043622391 /nfs/dbraw/zinc/62/23/91/1043622391.db2.gz KYLHHMGCTJOZNG-RWWKDMOOSA-N 2 2 390.955 3.911 20 0 GHADLP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)C1 ZINC001257060256 1043825538 /nfs/dbraw/zinc/82/55/38/1043825538.db2.gz JGZKKHFAIXIVQW-HNAYVOBHSA-N 2 2 379.460 3.725 20 0 GHADLP CC[C@H]1C[C@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001257108464 1043853627 /nfs/dbraw/zinc/85/36/27/1043853627.db2.gz IRWWVEXFQKCHHV-RTWAWAEBSA-N 2 2 387.568 3.886 20 0 GHADLP CCOC(=O)c1ccc(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)cc1 ZINC001257153914 1043902986 /nfs/dbraw/zinc/90/29/86/1043902986.db2.gz MUGDJCXSRIZGCL-SFHVURJKSA-N 2 2 396.531 3.754 20 0 GHADLP CC(C)[C@H]1C[C@H]([N@H+](CC[NH3+])Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001257181639 1043922025 /nfs/dbraw/zinc/92/20/25/1043922025.db2.gz VWHVUNKLUPGUIS-WOJBJXKFSA-N 2 2 375.557 3.871 20 0 GHADLP CC(C)[C@H]1C[C@H]([N@@H+](CC[NH3+])Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001257181639 1043922026 /nfs/dbraw/zinc/92/20/26/1043922026.db2.gz VWHVUNKLUPGUIS-WOJBJXKFSA-N 2 2 375.557 3.871 20 0 GHADLP CCCCCC[C@H](C)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001257372712 1043973202 /nfs/dbraw/zinc/97/32/02/1043973202.db2.gz PAYHJVRXWHNEAQ-NRFANRHFSA-N 3 2 378.649 3.522 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]21 ZINC001257774309 1044164410 /nfs/dbraw/zinc/16/44/10/1044164410.db2.gz QZWHMRTUTDJOEO-GFJLWIRXSA-N 2 2 391.600 3.972 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]21 ZINC001257774309 1044164420 /nfs/dbraw/zinc/16/44/20/1044164420.db2.gz QZWHMRTUTDJOEO-GFJLWIRXSA-N 2 2 391.600 3.972 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]21 ZINC001257774309 1044164426 /nfs/dbraw/zinc/16/44/26/1044164426.db2.gz QZWHMRTUTDJOEO-GFJLWIRXSA-N 2 2 391.600 3.972 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]21 ZINC001257774309 1044164431 /nfs/dbraw/zinc/16/44/31/1044164431.db2.gz QZWHMRTUTDJOEO-GFJLWIRXSA-N 2 2 391.600 3.972 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@H]21 ZINC001257816159 1044197276 /nfs/dbraw/zinc/19/72/76/1044197276.db2.gz QMZQUOHFKNSRCY-YXTQBTIXSA-N 2 2 377.573 3.582 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@H]21 ZINC001257816159 1044197280 /nfs/dbraw/zinc/19/72/80/1044197280.db2.gz QMZQUOHFKNSRCY-YXTQBTIXSA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@H]21 ZINC001257816159 1044197283 /nfs/dbraw/zinc/19/72/83/1044197283.db2.gz QMZQUOHFKNSRCY-YXTQBTIXSA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@H]21 ZINC001257816159 1044197307 /nfs/dbraw/zinc/19/73/07/1044197307.db2.gz QMZQUOHFKNSRCY-YXTQBTIXSA-N 2 2 377.573 3.582 20 0 GHADLP CCOc1ccc(Cl)cc1C[NH2+][C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001279049425 1044203173 /nfs/dbraw/zinc/20/31/73/1044203173.db2.gz ISLSVRIGMSSFMJ-RTWAWAEBSA-N 2 2 379.976 3.825 20 0 GHADLP Cc1[nH+]cn([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)c1CC[NH3+] ZINC001257974706 1044298634 /nfs/dbraw/zinc/29/86/34/1044298634.db2.gz ZCSSCWGQVGZCSB-UXHICEINSA-N 2 2 398.551 3.876 20 0 GHADLP COCC[N@H+](C)[C@@H](CNC1CC[NH+](CC(C)C)CC1)c1ccc(Cl)cc1 ZINC001258012145 1044338423 /nfs/dbraw/zinc/33/84/23/1044338423.db2.gz TYEQOBYDMTWHAA-NRFANRHFSA-N 2 2 381.992 3.669 20 0 GHADLP COCC[N@@H+](C)[C@@H](CNC1CC[NH+](CC(C)C)CC1)c1ccc(Cl)cc1 ZINC001258012145 1044338437 /nfs/dbraw/zinc/33/84/37/1044338437.db2.gz TYEQOBYDMTWHAA-NRFANRHFSA-N 2 2 381.992 3.669 20 0 GHADLP CSc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CCn4ccnc4)C3)C2)s1 ZINC001279077359 1044417722 /nfs/dbraw/zinc/41/77/22/1044417722.db2.gz QFYJHSFLXVEXEQ-IBGZPJMESA-N 2 2 376.595 3.655 20 0 GHADLP CSc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCn4ccnc4)C3)C2)s1 ZINC001279077359 1044417726 /nfs/dbraw/zinc/41/77/26/1044417726.db2.gz QFYJHSFLXVEXEQ-IBGZPJMESA-N 2 2 376.595 3.655 20 0 GHADLP CSc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCn4ccnc4)C3)C2)s1 ZINC001279077359 1044417737 /nfs/dbraw/zinc/41/77/37/1044417737.db2.gz QFYJHSFLXVEXEQ-IBGZPJMESA-N 2 2 376.595 3.655 20 0 GHADLP CSc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CCn4ccnc4)C3)C2)s1 ZINC001279077359 1044417749 /nfs/dbraw/zinc/41/77/49/1044417749.db2.gz QFYJHSFLXVEXEQ-IBGZPJMESA-N 2 2 376.595 3.655 20 0 GHADLP Clc1ccccc1N1CCC([N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001258542278 1044618198 /nfs/dbraw/zinc/61/81/98/1044618198.db2.gz KITFQHXLUKUJGP-BGYRXZFFSA-N 2 2 396.966 3.768 20 0 GHADLP Clc1ccccc1N1CCC([N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001258542278 1044618203 /nfs/dbraw/zinc/61/82/03/1044618203.db2.gz KITFQHXLUKUJGP-BGYRXZFFSA-N 2 2 396.966 3.768 20 0 GHADLP Clc1ccccc1N1CCC([NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001258542278 1044618210 /nfs/dbraw/zinc/61/82/10/1044618210.db2.gz KITFQHXLUKUJGP-BGYRXZFFSA-N 2 2 396.966 3.768 20 0 GHADLP Clc1ccccc1N1CCC([NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001258542278 1044618216 /nfs/dbraw/zinc/61/82/16/1044618216.db2.gz KITFQHXLUKUJGP-BGYRXZFFSA-N 2 2 396.966 3.768 20 0 GHADLP CCC[C@@H](Cc1ccccc1)[NH+]1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001258653196 1044690783 /nfs/dbraw/zinc/69/07/83/1044690783.db2.gz LOLSQTVSVQVLCQ-QFIPXVFZSA-N 2 2 379.548 3.508 20 0 GHADLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](Cc1ccc(Br)cc1)C(=O)OC ZINC001258899826 1044854359 /nfs/dbraw/zinc/85/43/59/1044854359.db2.gz SLZPUUPMYORHSB-QAPCUYQASA-N 2 2 399.373 3.633 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)CCc1[nH+]ccn1C)c1ccc(C(F)(F)F)cc1 ZINC001263712543 1047067557 /nfs/dbraw/zinc/06/75/57/1047067557.db2.gz HPBKVOVRKWQTTJ-QGZVFWFLSA-N 2 2 396.457 3.571 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)CCc1[nH+]ccn1C)c1ccc(C(F)(F)F)cc1 ZINC001263712542 1047068095 /nfs/dbraw/zinc/06/80/95/1047068095.db2.gz HPBKVOVRKWQTTJ-KRWDZBQOSA-N 2 2 396.457 3.571 20 0 GHADLP CC(C)c1csc([C@@H]2CCC[N@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)C2)n1 ZINC000607755548 1047359261 /nfs/dbraw/zinc/35/92/61/1047359261.db2.gz RQDYICVLXMHKEP-UXHICEINSA-N 2 2 387.593 3.939 20 0 GHADLP CC(C)c1csc([C@@H]2CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)C2)n1 ZINC000607755548 1047359273 /nfs/dbraw/zinc/35/92/73/1047359273.db2.gz RQDYICVLXMHKEP-UXHICEINSA-N 2 2 387.593 3.939 20 0 GHADLP CC(C)c1csc([C@@H]2CCC[NH+](C[C@@H](O)C[N@H+](C)Cc3ccccc3)C2)n1 ZINC000607755548 1047359282 /nfs/dbraw/zinc/35/92/82/1047359282.db2.gz RQDYICVLXMHKEP-UXHICEINSA-N 2 2 387.593 3.939 20 0 GHADLP CC(C)c1csc([C@@H]2CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc3ccccc3)C2)n1 ZINC000607755548 1047359298 /nfs/dbraw/zinc/35/92/98/1047359298.db2.gz RQDYICVLXMHKEP-UXHICEINSA-N 2 2 387.593 3.939 20 0 GHADLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Cl)c(O)c1)CC2 ZINC001279312428 1047763594 /nfs/dbraw/zinc/76/35/94/1047763594.db2.gz BNNFWELHVDZSHN-UHFFFAOYSA-N 2 2 377.941 3.909 20 0 GHADLP CCOc1c(Cl)cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1Cl ZINC001279699343 1047922402 /nfs/dbraw/zinc/92/24/02/1047922402.db2.gz JDHOHNGSZSVLCW-ROUUACIJSA-N 2 2 386.367 3.602 20 0 GHADLP CCOc1c(Cl)cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1Cl ZINC001279699343 1047922408 /nfs/dbraw/zinc/92/24/08/1047922408.db2.gz JDHOHNGSZSVLCW-ROUUACIJSA-N 2 2 386.367 3.602 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@H]4CCCC[C@@H]43)CC2)cc1 ZINC001307604581 1049441983 /nfs/dbraw/zinc/44/19/83/1049441983.db2.gz UGLKBZLMFCENCJ-ZTCOLXNVSA-N 2 2 397.607 3.965 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](C)[C@H]4CCCC[C@@H]43)CC2)cc1 ZINC001307604581 1049441986 /nfs/dbraw/zinc/44/19/86/1049441986.db2.gz UGLKBZLMFCENCJ-ZTCOLXNVSA-N 2 2 397.607 3.965 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC=C(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC001307736940 1049549108 /nfs/dbraw/zinc/54/91/08/1049549108.db2.gz QOOUAWIFVIBTLK-QFIPXVFZSA-N 2 2 397.950 3.848 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC001307736940 1049549125 /nfs/dbraw/zinc/54/91/25/1049549125.db2.gz QOOUAWIFVIBTLK-QFIPXVFZSA-N 2 2 397.950 3.848 20 0 GHADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@@H]2CCC3(CCC3)O2)o1 ZINC001307761948 1049575772 /nfs/dbraw/zinc/57/57/72/1049575772.db2.gz VLMPVZQJVDEQBN-INIZCTEOSA-N 2 2 394.313 3.843 20 0 GHADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@@H]2CCC3(CCC3)O2)o1 ZINC001307761948 1049575781 /nfs/dbraw/zinc/57/57/81/1049575781.db2.gz VLMPVZQJVDEQBN-INIZCTEOSA-N 2 2 394.313 3.843 20 0 GHADLP c1cc(C[NH+]2CCOCC2)ccc1CN(CC[NH+]1CCCCCC1)C1CCC1 ZINC001307811826 1049609081 /nfs/dbraw/zinc/60/90/81/1049609081.db2.gz QQBYOLVKBAGUGC-UHFFFAOYSA-N 2 2 385.596 3.749 20 0 GHADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001290007766 1049707791 /nfs/dbraw/zinc/70/77/91/1049707791.db2.gz XWJJVLRFDURFGV-INIZCTEOSA-N 2 2 386.462 3.682 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C[NH+](C)C)o1)c1ccccc1Cl ZINC001290520889 1049869318 /nfs/dbraw/zinc/86/93/18/1049869318.db2.gz QSPVWMJLQUVAAM-SFHVURJKSA-N 2 2 377.916 3.808 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(F)c1 ZINC001308282971 1049936186 /nfs/dbraw/zinc/93/61/86/1049936186.db2.gz PPVYQCUBVJDMLW-LPHOPBHVSA-N 2 2 376.497 3.847 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(F)c1 ZINC001308282971 1049936187 /nfs/dbraw/zinc/93/61/87/1049936187.db2.gz PPVYQCUBVJDMLW-LPHOPBHVSA-N 2 2 376.497 3.847 20 0 GHADLP COc1cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc(C(F)(F)F)c1 ZINC001308338320 1049952906 /nfs/dbraw/zinc/95/29/06/1049952906.db2.gz TXPYRUJHGWPJTG-QGZVFWFLSA-N 2 2 394.441 3.861 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC001308351463 1049955738 /nfs/dbraw/zinc/95/57/38/1049955738.db2.gz SIFGKTJHZDFJPF-PMACEKPBSA-N 2 2 399.966 3.627 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)C[N@H+]1Cc1ccccc1 ZINC001308351463 1049955740 /nfs/dbraw/zinc/95/57/40/1049955740.db2.gz SIFGKTJHZDFJPF-PMACEKPBSA-N 2 2 399.966 3.627 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cccc4c3OC(F)(F)O4)CC2)cc1 ZINC001308477727 1049984992 /nfs/dbraw/zinc/98/49/92/1049984992.db2.gz QTXDNRJQZGLUNN-UHFFFAOYSA-N 2 2 392.421 3.944 20 0 GHADLP Clc1cc(C[NH2+]Cc2cccc3c2OCC3)ccc1OCCn1cc[nH+]c1 ZINC001308532924 1050001058 /nfs/dbraw/zinc/00/10/58/1050001058.db2.gz PPEXIQAAPNZFPQ-UHFFFAOYSA-N 2 2 383.879 3.840 20 0 GHADLP COc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1Cn1cccn1 ZINC001308733222 1050075006 /nfs/dbraw/zinc/07/50/06/1050075006.db2.gz YJJAEKKMFGIRHX-UHFFFAOYSA-N 2 2 392.503 3.687 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cccn3C(F)F)CC2)cc1 ZINC001308771594 1050088212 /nfs/dbraw/zinc/08/82/12/1050088212.db2.gz JJYROJWCEQDAPC-UHFFFAOYSA-N 2 2 376.451 3.596 20 0 GHADLP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001308897067 1050146215 /nfs/dbraw/zinc/14/62/15/1050146215.db2.gz HDPRSZOGYPWOAB-OXQOHEQNSA-N 2 2 386.923 3.984 20 0 GHADLP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001308897067 1050146227 /nfs/dbraw/zinc/14/62/27/1050146227.db2.gz HDPRSZOGYPWOAB-OXQOHEQNSA-N 2 2 386.923 3.984 20 0 GHADLP C[N@H+](CCCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCCC1 ZINC001311403105 1052106603 /nfs/dbraw/zinc/10/66/03/1052106603.db2.gz YMPDOZMLMDAEOD-OAQYLSRUSA-N 2 2 383.540 3.578 20 0 GHADLP C[N@@H+](CCCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCCC1 ZINC001311403105 1052106642 /nfs/dbraw/zinc/10/66/42/1052106642.db2.gz YMPDOZMLMDAEOD-OAQYLSRUSA-N 2 2 383.540 3.578 20 0 GHADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001312053832 1052549238 /nfs/dbraw/zinc/54/92/38/1052549238.db2.gz CKCVJBPDPUOOKY-IFMALSPDSA-N 2 2 397.567 3.805 20 0 GHADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001312053832 1052549246 /nfs/dbraw/zinc/54/92/46/1052549246.db2.gz CKCVJBPDPUOOKY-IFMALSPDSA-N 2 2 397.567 3.805 20 0 GHADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001318573643 1054727540 /nfs/dbraw/zinc/72/75/40/1054727540.db2.gz NBNSPOOYWXEXHP-JOCHJYFZSA-N 2 2 380.536 3.917 20 0 GHADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001318573643 1054727556 /nfs/dbraw/zinc/72/75/56/1054727556.db2.gz NBNSPOOYWXEXHP-JOCHJYFZSA-N 2 2 380.536 3.917 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cccc(C(=O)NCC(C)C)c2)[nH+]1 ZINC001319492374 1055288369 /nfs/dbraw/zinc/28/83/69/1055288369.db2.gz WQEWKIQQJKRBDP-OAQYLSRUSA-N 2 2 380.536 3.852 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cccc(C(=O)NCC(C)C)c2)[nH+]1 ZINC001319492374 1055288378 /nfs/dbraw/zinc/28/83/78/1055288378.db2.gz WQEWKIQQJKRBDP-OAQYLSRUSA-N 2 2 380.536 3.852 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC001319557504 1055322095 /nfs/dbraw/zinc/32/20/95/1055322095.db2.gz OYFMIVRBCVSYFW-UHFFFAOYSA-N 2 2 395.850 3.608 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC(F)F)cc3OC(F)F)CC[C@H]21 ZINC001319729751 1055429207 /nfs/dbraw/zinc/42/92/07/1055429207.db2.gz ZRESCLNREUTAFQ-IUODEOHRSA-N 2 2 376.394 3.806 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC(F)F)cc3OC(F)F)CC[C@H]21 ZINC001319729751 1055429216 /nfs/dbraw/zinc/42/92/16/1055429216.db2.gz ZRESCLNREUTAFQ-IUODEOHRSA-N 2 2 376.394 3.806 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(OC(F)F)cc3OC(F)F)CC[C@H]21 ZINC001319729751 1055429223 /nfs/dbraw/zinc/42/92/23/1055429223.db2.gz ZRESCLNREUTAFQ-IUODEOHRSA-N 2 2 376.394 3.806 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3OC(F)F)CC[C@H]21 ZINC001319729751 1055429235 /nfs/dbraw/zinc/42/92/35/1055429235.db2.gz ZRESCLNREUTAFQ-IUODEOHRSA-N 2 2 376.394 3.806 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1)c1nc2c(s1)CCCC2 ZINC001319880206 1055519195 /nfs/dbraw/zinc/51/91/95/1055519195.db2.gz IFGSRXIAGFDACK-QGZVFWFLSA-N 2 2 384.593 3.620 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC001300614365 1056663986 /nfs/dbraw/zinc/66/39/86/1056663986.db2.gz ZGQMZNXKAQALAW-KRWDZBQOSA-N 2 2 379.614 3.512 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC001300614365 1056663992 /nfs/dbraw/zinc/66/39/92/1056663992.db2.gz ZGQMZNXKAQALAW-KRWDZBQOSA-N 2 2 379.614 3.512 20 0 GHADLP COC(=O)/C=C\c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000848894372 1057402762 /nfs/dbraw/zinc/40/27/62/1057402762.db2.gz DOFBYGVLSUIDON-ASGKQRQZSA-N 2 2 380.488 3.751 20 0 GHADLP COC(=O)/C=C\c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000848894372 1057402765 /nfs/dbraw/zinc/40/27/65/1057402765.db2.gz DOFBYGVLSUIDON-ASGKQRQZSA-N 2 2 380.488 3.751 20 0 GHADLP CC(C)(C)OC(=O)NCCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001326429750 1057481884 /nfs/dbraw/zinc/48/18/84/1057481884.db2.gz GURJIKXMBAWXMX-LJQANCHMSA-N 2 2 375.557 3.934 20 0 GHADLP CC(C)(C)OC(=O)NCCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001326429750 1057481887 /nfs/dbraw/zinc/48/18/87/1057481887.db2.gz GURJIKXMBAWXMX-LJQANCHMSA-N 2 2 375.557 3.934 20 0 GHADLP CC(C)(C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[NH+]1CCCCC1 ZINC001443386089 1059118104 /nfs/dbraw/zinc/11/81/04/1059118104.db2.gz LVXSNZVGLNQIFP-UHFFFAOYSA-N 2 2 383.540 3.752 20 0 GHADLP CC(C)(C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[NH+]1CCCCC1 ZINC001443386089 1059118114 /nfs/dbraw/zinc/11/81/14/1059118114.db2.gz LVXSNZVGLNQIFP-UHFFFAOYSA-N 2 2 383.540 3.752 20 0 GHADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)c1 ZINC001445552152 1059562830 /nfs/dbraw/zinc/56/28/30/1059562830.db2.gz ZSXPFNSEGWFHGW-QFIPXVFZSA-N 2 2 397.567 3.728 20 0 GHADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)c1 ZINC001445552152 1059562848 /nfs/dbraw/zinc/56/28/48/1059562848.db2.gz ZSXPFNSEGWFHGW-QFIPXVFZSA-N 2 2 397.567 3.728 20 0 GHADLP CCCC[NH+](CC)Cc1cccc(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)c1 ZINC001445552152 1059562871 /nfs/dbraw/zinc/56/28/71/1059562871.db2.gz ZSXPFNSEGWFHGW-QFIPXVFZSA-N 2 2 397.567 3.728 20 0 GHADLP CCCC[NH+](CC)Cc1cccc(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)c1 ZINC001445552152 1059562886 /nfs/dbraw/zinc/56/28/86/1059562886.db2.gz ZSXPFNSEGWFHGW-QFIPXVFZSA-N 2 2 397.567 3.728 20 0 GHADLP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001341257282 1060532589 /nfs/dbraw/zinc/53/25/89/1060532589.db2.gz MFMITYDYSPJWQW-PZJWPPBQSA-N 2 2 399.579 3.720 20 0 GHADLP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001341257282 1060532610 /nfs/dbraw/zinc/53/26/10/1060532610.db2.gz MFMITYDYSPJWQW-PZJWPPBQSA-N 2 2 399.579 3.720 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC001453169011 1061086101 /nfs/dbraw/zinc/08/61/01/1061086101.db2.gz QXUORUJUXXJBOM-UHFFFAOYSA-N 2 2 391.600 3.601 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC001453169011 1061086117 /nfs/dbraw/zinc/08/61/17/1061086117.db2.gz QXUORUJUXXJBOM-UHFFFAOYSA-N 2 2 391.600 3.601 20 0 GHADLP Cc1ccccc1[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC[NH2+]1 ZINC001454457469 1061788381 /nfs/dbraw/zinc/78/83/81/1061788381.db2.gz FUTDRLLAMLEBDL-PKTZIBPZSA-N 2 2 395.522 3.662 20 0 GHADLP Cc1ccccc1[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC[NH2+]1 ZINC001454457469 1061788402 /nfs/dbraw/zinc/78/84/02/1061788402.db2.gz FUTDRLLAMLEBDL-PKTZIBPZSA-N 2 2 395.522 3.662 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(Cl)ncc1Br ZINC001347483533 1062420814 /nfs/dbraw/zinc/42/08/14/1062420814.db2.gz DNANIMCNBBLDMH-UHFFFAOYSA-N 2 2 392.644 3.639 20 0 GHADLP Cc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(C)n1C1CCOCC1 ZINC001347485184 1062422435 /nfs/dbraw/zinc/42/24/35/1062422435.db2.gz CRBAPFFVDQRCDZ-UHFFFAOYSA-N 2 2 379.464 3.598 20 0 GHADLP Cc1cccc([C@@H]2C[C@H]2C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001435866110 1062969856 /nfs/dbraw/zinc/96/98/56/1062969856.db2.gz RSHRRAFDTLCGLT-KEZOAJOQSA-N 2 2 397.607 3.894 20 0 GHADLP Cc1cccc([C@@H]2C[C@H]2C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001435866110 1062969860 /nfs/dbraw/zinc/96/98/60/1062969860.db2.gz RSHRRAFDTLCGLT-KEZOAJOQSA-N 2 2 397.607 3.894 20 0 GHADLP CCCCCCO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001458883347 1063955418 /nfs/dbraw/zinc/95/54/18/1063955418.db2.gz XPEACWQGAYGIKG-CEMLEFRQSA-N 2 2 395.632 3.767 20 0 GHADLP CCCCCCO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001458883347 1063955421 /nfs/dbraw/zinc/95/54/21/1063955421.db2.gz XPEACWQGAYGIKG-CEMLEFRQSA-N 2 2 395.632 3.767 20 0 GHADLP Cc1c(C(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cnn1-c1cc[nH+]cc1 ZINC001350057912 1063975788 /nfs/dbraw/zinc/97/57/88/1063975788.db2.gz UMLSHEFINFSWJG-QGZVFWFLSA-N 2 2 392.507 3.547 20 0 GHADLP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)c1 ZINC001438569962 1064071987 /nfs/dbraw/zinc/07/19/87/1064071987.db2.gz CDLNOECLYTVRET-GOTSBHOMSA-N 2 2 377.532 3.652 20 0 GHADLP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)c1 ZINC001438569962 1064071993 /nfs/dbraw/zinc/07/19/93/1064071993.db2.gz CDLNOECLYTVRET-GOTSBHOMSA-N 2 2 377.532 3.652 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NC[C@H]2c3ccccc3C[NH+]2C)c1 ZINC001438569962 1064071999 /nfs/dbraw/zinc/07/19/99/1064071999.db2.gz CDLNOECLYTVRET-GOTSBHOMSA-N 2 2 377.532 3.652 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NC[C@H]2c3ccccc3C[NH+]2C)c1 ZINC001438569962 1064072007 /nfs/dbraw/zinc/07/20/07/1064072007.db2.gz CDLNOECLYTVRET-GOTSBHOMSA-N 2 2 377.532 3.652 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC001350740572 1064177624 /nfs/dbraw/zinc/17/76/24/1064177624.db2.gz GMDCACMTKVEXOW-QUCCMNQESA-N 2 2 389.927 3.879 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](C)[C@@H]3CCCC[C@@H]3C)n2)CC1 ZINC001459947562 1064296051 /nfs/dbraw/zinc/29/60/51/1064296051.db2.gz AMXHIQFUYCJMLP-FUHWJXTLSA-N 2 2 378.586 3.824 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](C)[C@@H]3CCCC[C@@H]3C)n2)CC1 ZINC001459947562 1064296063 /nfs/dbraw/zinc/29/60/63/1064296063.db2.gz AMXHIQFUYCJMLP-FUHWJXTLSA-N 2 2 378.586 3.824 20 0 GHADLP Fc1ccc(C(F)(F)F)c(Br)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC001351331304 1064383851 /nfs/dbraw/zinc/38/38/51/1064383851.db2.gz SICCHUPXPLZLDX-SECBINFHSA-N 2 2 392.194 3.908 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NCc3ccccc3C[N@H+]3CCC[C@@H](C)C3)ccn12 ZINC001464153562 1064868974 /nfs/dbraw/zinc/86/89/74/1064868974.db2.gz AGFINPXMGMXXQO-QGZVFWFLSA-N 2 2 376.504 3.805 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NCc3ccccc3C[N@@H+]3CCC[C@@H](C)C3)ccn12 ZINC001464153562 1064868996 /nfs/dbraw/zinc/86/89/96/1064868996.db2.gz AGFINPXMGMXXQO-QGZVFWFLSA-N 2 2 376.504 3.805 20 0 GHADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1coc([C@@H]2CCC[NH2+]2)n1 ZINC001353494576 1065977380 /nfs/dbraw/zinc/97/73/80/1065977380.db2.gz GUIFEGOIQIFMOU-KRWDZBQOSA-N 2 2 377.448 3.551 20 0 GHADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ncoc1C1CC[NH2+]CC1 ZINC001353495877 1065977869 /nfs/dbraw/zinc/97/78/69/1065977869.db2.gz PDIIOIRNRRPQRA-UHFFFAOYSA-N 2 2 391.475 3.594 20 0 GHADLP C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)c2)C1 ZINC001353555603 1066036567 /nfs/dbraw/zinc/03/65/67/1066036567.db2.gz IGGVWOOTIDORGT-QFIPXVFZSA-N 2 2 392.547 3.811 20 0 GHADLP C[N@H+]1CCC[C@H](c2cccc(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)c2)C1 ZINC001353555603 1066036586 /nfs/dbraw/zinc/03/65/86/1066036586.db2.gz IGGVWOOTIDORGT-QFIPXVFZSA-N 2 2 392.547 3.811 20 0 GHADLP Cc1cc(C)c(NC(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)c(C)[nH+]1 ZINC001466756883 1066296900 /nfs/dbraw/zinc/29/69/00/1066296900.db2.gz ZGHZSMLKNGRDAK-UHFFFAOYSA-N 2 2 396.535 3.546 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001467642608 1067398023 /nfs/dbraw/zinc/39/80/23/1067398023.db2.gz GHCHTNMBTUFITH-HXUWFJFHSA-N 2 2 382.895 3.753 20 0 GHADLP CC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC001460582779 1069008394 /nfs/dbraw/zinc/00/83/94/1069008394.db2.gz ZSKMPKWUYRKVGJ-QGZVFWFLSA-N 2 2 387.351 3.683 20 0 GHADLP CCOc1ccc(NC(=O)CC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001460689305 1069088217 /nfs/dbraw/zinc/08/82/17/1069088217.db2.gz HQKNKHLDVGBSTQ-OAQYLSRUSA-N 2 2 378.476 3.642 20 0 GHADLP Cc1ccc([C@@H](NC(=O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C2CC2)cc1 ZINC001460696140 1069093343 /nfs/dbraw/zinc/09/33/43/1069093343.db2.gz RKRULWVGAPCLEF-ISKFKSNPSA-N 2 2 388.515 3.790 20 0 GHADLP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)Nc3nc4ccccc4s3)CC2)[nH+]c1C ZINC001460783473 1069175856 /nfs/dbraw/zinc/17/58/56/1069175856.db2.gz ATXFSCXFYRGXAI-CQSZACIVSA-N 2 2 383.521 3.843 20 0 GHADLP Cc1cc(C)c(CNC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c[nH+]1 ZINC001470507278 1072598355 /nfs/dbraw/zinc/59/83/55/1072598355.db2.gz DIOHVKGPUCHRPL-UHFFFAOYSA-N 2 2 380.536 3.800 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3(c4cccs4)CCCCC3)c2)CC1 ZINC001471048465 1072904509 /nfs/dbraw/zinc/90/45/09/1072904509.db2.gz NLPFJCQUFXDCRF-UHFFFAOYSA-N 2 2 384.549 3.736 20 0 GHADLP CC[NH+](CC)CC[C@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC001471587322 1073148140 /nfs/dbraw/zinc/14/81/40/1073148140.db2.gz OCZFTIIKDZIPOR-SFTDATJTSA-N 2 2 397.567 3.782 20 0 GHADLP CCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC001473269670 1073900193 /nfs/dbraw/zinc/90/01/93/1073900193.db2.gz GJZXAOKDZWUZRD-HXUWFJFHSA-N 2 2 395.547 3.758 20 0 GHADLP CCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC001473269670 1073900194 /nfs/dbraw/zinc/90/01/94/1073900194.db2.gz GJZXAOKDZWUZRD-HXUWFJFHSA-N 2 2 395.547 3.758 20 0 GHADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC001473808924 1074154696 /nfs/dbraw/zinc/15/46/96/1074154696.db2.gz JQMDCZCTCWICGY-IBGZPJMESA-N 2 2 386.499 3.898 20 0 GHADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC001473808924 1074154697 /nfs/dbraw/zinc/15/46/97/1074154697.db2.gz JQMDCZCTCWICGY-IBGZPJMESA-N 2 2 386.499 3.898 20 0 GHADLP Cc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1Br ZINC001473939262 1074212501 /nfs/dbraw/zinc/21/25/01/1074212501.db2.gz SMGUSZNQFVUCRK-UHFFFAOYSA-N 2 2 389.337 3.880 20 0 GHADLP CCOc1ccccc1C[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001473951434 1074215707 /nfs/dbraw/zinc/21/57/07/1074215707.db2.gz FNEISAMZFBLIQE-UHFFFAOYSA-N 2 2 378.419 3.758 20 0 GHADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001473976237 1074223355 /nfs/dbraw/zinc/22/33/55/1074223355.db2.gz ICFXBUNQZIMZJB-HXUWFJFHSA-N 2 2 396.560 3.790 20 0 GHADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2cnc(C3CCCC3)s2)c2ccccc2)CC1 ZINC001473976670 1074224290 /nfs/dbraw/zinc/22/42/90/1074224290.db2.gz YQJOJOMVFVULJR-NRFANRHFSA-N 2 2 384.593 3.879 20 0 GHADLP CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)cn1 ZINC001473995006 1074229040 /nfs/dbraw/zinc/22/90/40/1074229040.db2.gz BCISZZBAJNVDSE-ZDUSSCGKSA-N 2 2 380.439 3.698 20 0 GHADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC001474017542 1074236526 /nfs/dbraw/zinc/23/65/26/1074236526.db2.gz GXYKQYVYAUQFEA-NRFANRHFSA-N 2 2 384.612 3.584 20 0 GHADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)cc2)n1 ZINC001474230762 1074300995 /nfs/dbraw/zinc/30/09/95/1074300995.db2.gz OTNNWERYQZTCJG-GOSISDBHSA-N 2 2 378.442 3.998 20 0 GHADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)cc2)n1 ZINC001474230762 1074301000 /nfs/dbraw/zinc/30/10/00/1074301000.db2.gz OTNNWERYQZTCJG-GOSISDBHSA-N 2 2 378.442 3.998 20 0 GHADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC001474372610 1074369862 /nfs/dbraw/zinc/36/98/62/1074369862.db2.gz KJMJVTVBXYHRBW-QFIPXVFZSA-N 2 2 397.950 3.745 20 0 GHADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC001474372610 1074369869 /nfs/dbraw/zinc/36/98/69/1074369869.db2.gz KJMJVTVBXYHRBW-QFIPXVFZSA-N 2 2 397.950 3.745 20 0 GHADLP Cc1ccc(Oc2ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2)cc1 ZINC001476054553 1075075994 /nfs/dbraw/zinc/07/59/94/1075075994.db2.gz MIOVGVWIXWFUPN-UHFFFAOYSA-N 2 2 384.524 3.792 20 0 GHADLP Cc1ccc(Oc2ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2)cc1 ZINC001476054553 1075075997 /nfs/dbraw/zinc/07/59/97/1075075997.db2.gz MIOVGVWIXWFUPN-UHFFFAOYSA-N 2 2 384.524 3.792 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820414362 599377329 /nfs/dbraw/zinc/37/73/29/599377329.db2.gz YBVDFHHPMVXFJX-SJORKVTESA-N 2 2 376.508 3.743 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000826284104 607531175 /nfs/dbraw/zinc/53/11/75/607531175.db2.gz KIPKJTXGPNEHMN-LAUBAEHRSA-N 2 2 387.491 3.772 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824546991 609147768 /nfs/dbraw/zinc/14/77/68/609147768.db2.gz MCSFTTVQLODMJD-QYWGDWMGSA-N 2 2 394.498 3.567 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824546991 609147769 /nfs/dbraw/zinc/14/77/69/609147769.db2.gz MCSFTTVQLODMJD-QYWGDWMGSA-N 2 2 394.498 3.567 20 0 GHADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000508339509 719247957 /nfs/dbraw/zinc/24/79/57/719247957.db2.gz OHZFWNWXZIUENV-HZPDHXFCSA-N 2 2 395.576 3.949 20 0 GHADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000508339509 719247960 /nfs/dbraw/zinc/24/79/60/719247960.db2.gz OHZFWNWXZIUENV-HZPDHXFCSA-N 2 2 395.576 3.949 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]ccc4ccccc43)CC[C@@H]21 ZINC001164833693 720514762 /nfs/dbraw/zinc/51/47/62/720514762.db2.gz DMHNOKHIMJCWDL-URVUXULASA-N 2 2 375.520 3.809 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]ccc4ccccc43)CC[C@@H]21 ZINC001164833693 720514771 /nfs/dbraw/zinc/51/47/71/720514771.db2.gz DMHNOKHIMJCWDL-URVUXULASA-N 2 2 375.520 3.809 20 0 GHADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414086782 837450404 /nfs/dbraw/zinc/45/04/04/837450404.db2.gz ZXWSAGRYSCNMGN-QGZVFWFLSA-N 2 2 393.560 3.808 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC(CCC[NH+]3CCCC3)CC1)C2 ZINC000376242296 837562799 /nfs/dbraw/zinc/56/27/99/837562799.db2.gz BALLFSNKBQEBNJ-LJQANCHMSA-N 2 2 386.584 3.753 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC(CCC[NH+]3CCCC3)CC1)CC2 ZINC000376242296 837562803 /nfs/dbraw/zinc/56/28/03/837562803.db2.gz BALLFSNKBQEBNJ-LJQANCHMSA-N 2 2 386.584 3.753 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2cc3n(n2)CCC3)CC1 ZINC000414108360 837566240 /nfs/dbraw/zinc/56/62/40/837566240.db2.gz GFLKNLRSXIAKCB-SJORKVTESA-N 2 2 385.531 3.522 20 0 GHADLP COc1cccc(Oc2ncccc2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655716085 837723825 /nfs/dbraw/zinc/72/38/25/837723825.db2.gz ROVIONKCWNXHQR-JOCHJYFZSA-N 2 2 397.519 3.616 20 0 GHADLP Cc1ccc(C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccn2)cc1 ZINC000655716354 837723957 /nfs/dbraw/zinc/72/39/57/837723957.db2.gz SOQCXXXSZBDDJY-VWNXMTODSA-N 2 2 379.548 3.907 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000431809822 837744882 /nfs/dbraw/zinc/74/48/82/837744882.db2.gz GPIBPPSCTFGZMU-PCCBWWKXSA-N 2 2 391.506 3.623 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000431809822 837744889 /nfs/dbraw/zinc/74/48/89/837744889.db2.gz GPIBPPSCTFGZMU-PCCBWWKXSA-N 2 2 391.506 3.623 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000431809822 837744897 /nfs/dbraw/zinc/74/48/97/837744897.db2.gz GPIBPPSCTFGZMU-PCCBWWKXSA-N 2 2 391.506 3.623 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000431809822 837744905 /nfs/dbraw/zinc/74/49/05/837744905.db2.gz GPIBPPSCTFGZMU-PCCBWWKXSA-N 2 2 391.506 3.623 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000579724128 834446594 /nfs/dbraw/zinc/44/65/94/834446594.db2.gz MKUFFQAKVAHMGF-RVRMEMIVSA-N 2 2 396.000 3.567 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000579724128 834446598 /nfs/dbraw/zinc/44/65/98/834446598.db2.gz MKUFFQAKVAHMGF-RVRMEMIVSA-N 2 2 396.000 3.567 20 0 GHADLP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548799151 834604673 /nfs/dbraw/zinc/60/46/73/834604673.db2.gz IVIMNBHBLSNRRA-KRWDZBQOSA-N 2 2 384.499 3.875 20 0 GHADLP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548799151 834604680 /nfs/dbraw/zinc/60/46/80/834604680.db2.gz IVIMNBHBLSNRRA-KRWDZBQOSA-N 2 2 384.499 3.875 20 0 GHADLP CN(Cc1ccccc1OCc1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457826 835022617 /nfs/dbraw/zinc/02/26/17/835022617.db2.gz PILJCDOCAVMZOC-XMMPIXPASA-N 2 2 393.575 3.866 20 0 GHADLP CN(Cc1ccccc1OCc1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457826 835022626 /nfs/dbraw/zinc/02/26/26/835022626.db2.gz PILJCDOCAVMZOC-XMMPIXPASA-N 2 2 393.575 3.866 20 0 GHADLP CN(C)c1ncc(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)s1 ZINC000685461993 835028775 /nfs/dbraw/zinc/02/87/75/835028775.db2.gz JXOPRJZQUGFZQV-UHFFFAOYSA-N 2 2 375.929 3.761 20 0 GHADLP CN(C)c1ncc(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)s1 ZINC000685461993 835028786 /nfs/dbraw/zinc/02/87/86/835028786.db2.gz JXOPRJZQUGFZQV-UHFFFAOYSA-N 2 2 375.929 3.761 20 0 GHADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000657800247 835151455 /nfs/dbraw/zinc/15/14/55/835151455.db2.gz KRFXCUBOJCFFOM-WOJBJXKFSA-N 2 2 380.517 3.765 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000685652098 835264033 /nfs/dbraw/zinc/26/40/33/835264033.db2.gz IXHIMWPNHMGORX-CEWLAPEOSA-N 2 2 389.503 3.757 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000685652098 835264037 /nfs/dbraw/zinc/26/40/37/835264037.db2.gz IXHIMWPNHMGORX-CEWLAPEOSA-N 2 2 389.503 3.757 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@@H]3CSCCc4ccccc43)C2)cc1 ZINC000683229304 835321050 /nfs/dbraw/zinc/32/10/50/835321050.db2.gz BHDMFUREHBINSA-JTHBVZDNSA-N 2 2 382.573 3.898 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@@H]3CSCCc4ccccc43)C2)cc1 ZINC000683229304 835321059 /nfs/dbraw/zinc/32/10/59/835321059.db2.gz BHDMFUREHBINSA-JTHBVZDNSA-N 2 2 382.573 3.898 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090013 835414605 /nfs/dbraw/zinc/41/46/05/835414605.db2.gz CVZOJSWOHIXVAL-BBRMVZONSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090013 835414609 /nfs/dbraw/zinc/41/46/09/835414609.db2.gz CVZOJSWOHIXVAL-BBRMVZONSA-N 2 2 382.346 3.629 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000065749998 835429927 /nfs/dbraw/zinc/42/99/27/835429927.db2.gz OFZDGZJDGPAWKI-GOSISDBHSA-N 2 2 392.906 3.718 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000584014998 835433781 /nfs/dbraw/zinc/43/37/81/835433781.db2.gz LFRIHFVDHGVILF-RTBURBONSA-N 2 2 380.536 3.742 20 0 GHADLP CCc1ccc([C@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)[NH+](CC)CC)cc1 ZINC000458792608 835559363 /nfs/dbraw/zinc/55/93/63/835559363.db2.gz LMNCLOQWMNWTAJ-QFIPXVFZSA-N 2 2 397.567 3.875 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCC2 ZINC000658296015 835559645 /nfs/dbraw/zinc/55/96/45/835559645.db2.gz XIHHHTGLJHNYQJ-IEBWSBKVSA-N 2 2 379.342 3.669 20 0 GHADLP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCC2 ZINC000658296014 835560064 /nfs/dbraw/zinc/56/00/64/835560064.db2.gz XIHHHTGLJHNYQJ-HKUYNNGSSA-N 2 2 379.342 3.669 20 0 GHADLP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc2c(c1)CCO2 ZINC000162020913 835560892 /nfs/dbraw/zinc/56/08/92/835560892.db2.gz DEPWPLLWNCKIHK-JOCHJYFZSA-N 2 2 396.531 3.573 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCCO2 ZINC000191837796 835762515 /nfs/dbraw/zinc/76/25/15/835762515.db2.gz XOTVMFCWAZMXIK-SIKLNZKXSA-N 2 2 396.531 3.790 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCCO2 ZINC000191837796 835762527 /nfs/dbraw/zinc/76/25/27/835762527.db2.gz XOTVMFCWAZMXIK-SIKLNZKXSA-N 2 2 396.531 3.790 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cc4cnccc4o3)cc2)CC1 ZINC000657839147 835897531 /nfs/dbraw/zinc/89/75/31/835897531.db2.gz MXVDEXNWVRQGGU-SFHVURJKSA-N 2 2 378.520 3.816 20 0 GHADLP CCCN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000547758074 836097760 /nfs/dbraw/zinc/09/77/60/836097760.db2.gz CGEPOPFDPRISLV-WOJBJXKFSA-N 2 2 380.536 3.733 20 0 GHADLP CCCN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000547758074 836097771 /nfs/dbraw/zinc/09/77/71/836097771.db2.gz CGEPOPFDPRISLV-WOJBJXKFSA-N 2 2 380.536 3.733 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCc1cccc(Cl)c1 ZINC000548931695 836240439 /nfs/dbraw/zinc/24/04/39/836240439.db2.gz XNFPHUKMFLFKKU-NRFANRHFSA-N 2 2 399.966 3.847 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCc1cccc(Cl)c1 ZINC000548931695 836240448 /nfs/dbraw/zinc/24/04/48/836240448.db2.gz XNFPHUKMFLFKKU-NRFANRHFSA-N 2 2 399.966 3.847 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCC1=CCCCC1 ZINC000548932923 836275232 /nfs/dbraw/zinc/27/52/32/836275232.db2.gz JAQGFPQLXUYTOL-JOCHJYFZSA-N 2 2 383.580 3.883 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCC1=CCCCC1 ZINC000548932923 836275241 /nfs/dbraw/zinc/27/52/41/836275241.db2.gz JAQGFPQLXUYTOL-JOCHJYFZSA-N 2 2 383.580 3.883 20 0 GHADLP CN(C(=O)c1ccc(C(C)(C)C)c(Cl)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685785935 836435702 /nfs/dbraw/zinc/43/57/02/836435702.db2.gz LNGUOVCLLOQDIM-SFHVURJKSA-N 2 2 391.987 3.878 20 0 GHADLP CN(C(=O)c1ccc(C(C)(C)C)c(Cl)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685785935 836435707 /nfs/dbraw/zinc/43/57/07/836435707.db2.gz LNGUOVCLLOQDIM-SFHVURJKSA-N 2 2 391.987 3.878 20 0 GHADLP Cc1ccc(C)c(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000109674812 836464620 /nfs/dbraw/zinc/46/46/20/836464620.db2.gz UOKJEYPEUXUQIC-JOCHJYFZSA-N 2 2 378.564 3.733 20 0 GHADLP Cc1ccc(C)c(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000109674812 836464623 /nfs/dbraw/zinc/46/46/23/836464623.db2.gz UOKJEYPEUXUQIC-JOCHJYFZSA-N 2 2 378.564 3.733 20 0 GHADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000177485695 836637992 /nfs/dbraw/zinc/63/79/92/836637992.db2.gz DHHWOVCYBWVFIN-MJGOQNOKSA-N 2 2 388.556 3.818 20 0 GHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000093742016 844193770 /nfs/dbraw/zinc/19/37/70/844193770.db2.gz GSCWFJKOHZEFRC-LJQANCHMSA-N 2 2 383.536 3.833 20 0 GHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000093742016 844193776 /nfs/dbraw/zinc/19/37/76/844193776.db2.gz GSCWFJKOHZEFRC-LJQANCHMSA-N 2 2 383.536 3.833 20 0 GHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000093742016 844193778 /nfs/dbraw/zinc/19/37/78/844193778.db2.gz GSCWFJKOHZEFRC-LJQANCHMSA-N 2 2 383.536 3.833 20 0 GHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000109794861 836703197 /nfs/dbraw/zinc/70/31/97/836703197.db2.gz BHIKMHQVXMEGFH-HSZRJFAPSA-N 2 2 388.515 3.620 20 0 GHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000093742016 844193766 /nfs/dbraw/zinc/19/37/66/844193766.db2.gz GSCWFJKOHZEFRC-LJQANCHMSA-N 2 2 383.536 3.833 20 0 GHADLP CN(C(=O)N[C@H]1CCC(C)(C)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000511393709 836938949 /nfs/dbraw/zinc/93/89/49/836938949.db2.gz HWUFKEACBZSPAS-DFQSSKMNSA-N 2 2 378.605 3.544 20 0 GHADLP CN(C(=O)N[C@H]1CCC(C)(C)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000511393709 836938957 /nfs/dbraw/zinc/93/89/57/836938957.db2.gz HWUFKEACBZSPAS-DFQSSKMNSA-N 2 2 378.605 3.544 20 0 GHADLP CN(C(=O)c1ccsc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612958366 837017639 /nfs/dbraw/zinc/01/76/39/837017639.db2.gz BCWFRKPLWBGBKU-DLBZAZTESA-N 2 2 383.989 3.811 20 0 GHADLP CN(C(=O)c1ccsc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612958366 837017647 /nfs/dbraw/zinc/01/76/47/837017647.db2.gz BCWFRKPLWBGBKU-DLBZAZTESA-N 2 2 383.989 3.811 20 0 GHADLP C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000175822856 837028035 /nfs/dbraw/zinc/02/80/35/837028035.db2.gz HUAROLIBVSZVKD-UNMCSNQZSA-N 2 2 398.595 3.524 20 0 GHADLP CSc1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+](C)Cc3cccnc3)C1)OCCO2 ZINC000275533195 837181466 /nfs/dbraw/zinc/18/14/66/837181466.db2.gz DWOFSXLOUCBDPE-GOSISDBHSA-N 2 2 399.560 3.529 20 0 GHADLP CSc1cc2c(cc1C[N@H+]1CC[C@H](C[NH+](C)Cc3cccnc3)C1)OCCO2 ZINC000275533195 837181471 /nfs/dbraw/zinc/18/14/71/837181471.db2.gz DWOFSXLOUCBDPE-GOSISDBHSA-N 2 2 399.560 3.529 20 0 GHADLP CSc1cc2c(cc1C[NH+]1CC[C@H](C[N@H+](C)Cc3cccnc3)C1)OCCO2 ZINC000275533195 837181478 /nfs/dbraw/zinc/18/14/78/837181478.db2.gz DWOFSXLOUCBDPE-GOSISDBHSA-N 2 2 399.560 3.529 20 0 GHADLP CSc1cc2c(cc1C[NH+]1CC[C@H](C[N@@H+](C)Cc3cccnc3)C1)OCCO2 ZINC000275533195 837181485 /nfs/dbraw/zinc/18/14/85/837181485.db2.gz DWOFSXLOUCBDPE-GOSISDBHSA-N 2 2 399.560 3.529 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1csc(-c2ccccc2)n1 ZINC000414060251 837311295 /nfs/dbraw/zinc/31/12/95/837311295.db2.gz JGKQHKKHGGRFMI-KRWDZBQOSA-N 2 2 393.560 3.808 20 0 GHADLP Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(N(C)C)[nH+]1 ZINC000162468093 837324548 /nfs/dbraw/zinc/32/45/48/837324548.db2.gz APELJAXGAKBBKO-QAPCUYQASA-N 2 2 387.553 3.722 20 0 GHADLP Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(N(C)C)[nH+]1 ZINC000162468093 837324560 /nfs/dbraw/zinc/32/45/60/837324560.db2.gz APELJAXGAKBBKO-QAPCUYQASA-N 2 2 387.553 3.722 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c(C)c1 ZINC000414066616 837343193 /nfs/dbraw/zinc/34/31/93/837343193.db2.gz IHIWIGKDHQRHKM-LJQANCHMSA-N 2 2 384.520 3.565 20 0 GHADLP Brc1cccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CCOCC2)c1 ZINC000377758600 837920400 /nfs/dbraw/zinc/92/04/00/837920400.db2.gz XWLHDJVBAHZEFI-VQIMIIECSA-N 2 2 390.325 3.787 20 0 GHADLP C[C@@H](c1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1)[NH+]1CCOCC1 ZINC000549339861 838011693 /nfs/dbraw/zinc/01/16/93/838011693.db2.gz DONGLNKGPHSTAI-IBGZPJMESA-N 2 2 393.531 3.928 20 0 GHADLP COc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OCc1cccnc1 ZINC000655855995 838075905 /nfs/dbraw/zinc/07/59/05/838075905.db2.gz KGQKHFHSWHFERM-SFTDATJTSA-N 2 2 381.520 3.776 20 0 GHADLP COc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OCc1cccnc1 ZINC000655855995 838075920 /nfs/dbraw/zinc/07/59/20/838075920.db2.gz KGQKHFHSWHFERM-SFTDATJTSA-N 2 2 381.520 3.776 20 0 GHADLP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OCc1cccnc1 ZINC000655855994 838076236 /nfs/dbraw/zinc/07/62/36/838076236.db2.gz KGQKHFHSWHFERM-RTWAWAEBSA-N 2 2 381.520 3.776 20 0 GHADLP COc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OCc1cccnc1 ZINC000655855994 838076251 /nfs/dbraw/zinc/07/62/51/838076251.db2.gz KGQKHFHSWHFERM-RTWAWAEBSA-N 2 2 381.520 3.776 20 0 GHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccccc2C[NH2+]C)[C@@H](C)C1 ZINC000415905484 838260247 /nfs/dbraw/zinc/26/02/47/838260247.db2.gz UUNSZAUPBLBDEU-SFHVURJKSA-N 2 2 396.535 3.543 20 0 GHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccccc2C[NH2+]C)[C@@H](C)C1 ZINC000415905484 838260255 /nfs/dbraw/zinc/26/02/55/838260255.db2.gz UUNSZAUPBLBDEU-SFHVURJKSA-N 2 2 396.535 3.543 20 0 GHADLP O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000178202167 838284630 /nfs/dbraw/zinc/28/46/30/838284630.db2.gz HCMFLGQZZANDBB-UHFFFAOYSA-N 2 2 393.491 3.521 20 0 GHADLP C[NH+](C)[C@H](CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000416220015 838746568 /nfs/dbraw/zinc/74/65/68/838746568.db2.gz INGIUQGMXLEOHS-OAQYLSRUSA-N 2 2 380.536 3.618 20 0 GHADLP CN(C(=O)c1ccccc1NC1CCCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684590258 844365659 /nfs/dbraw/zinc/36/56/59/844365659.db2.gz VMTWKMCYUCMZAM-OAQYLSRUSA-N 2 2 398.595 3.672 20 0 GHADLP CN(C(=O)c1ccccc1NC1CCCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684590258 844365675 /nfs/dbraw/zinc/36/56/75/844365675.db2.gz VMTWKMCYUCMZAM-OAQYLSRUSA-N 2 2 398.595 3.672 20 0 GHADLP Cc1cccnc1OC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000580133337 838940993 /nfs/dbraw/zinc/94/09/93/838940993.db2.gz FHOVGRRSEODKQC-HSZRJFAPSA-N 2 2 395.547 3.524 20 0 GHADLP Cc1cccnc1OC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000580133337 838940998 /nfs/dbraw/zinc/94/09/98/838940998.db2.gz FHOVGRRSEODKQC-HSZRJFAPSA-N 2 2 395.547 3.524 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+](C3CC3)C3CCCC3)CC2)cc1 ZINC001167363750 839000287 /nfs/dbraw/zinc/00/02/87/839000287.db2.gz JAALBEDLQFJOTN-UHFFFAOYSA-N 2 2 383.580 3.861 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C3CC3)C3CCCC3)CC2)cc1 ZINC001167363750 839000301 /nfs/dbraw/zinc/00/03/01/839000301.db2.gz JAALBEDLQFJOTN-UHFFFAOYSA-N 2 2 383.580 3.861 20 0 GHADLP Cc1ccccc1[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000363818483 839087640 /nfs/dbraw/zinc/08/76/40/839087640.db2.gz KULYLFFJZMESTB-IRLDBZIGSA-N 2 2 386.584 3.502 20 0 GHADLP Cc1ccccc1[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000363818483 839087650 /nfs/dbraw/zinc/08/76/50/839087650.db2.gz KULYLFFJZMESTB-IRLDBZIGSA-N 2 2 386.584 3.502 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc2c(c1)CCCC2 ZINC000549841629 844442262 /nfs/dbraw/zinc/44/22/62/844442262.db2.gz XILIXIMBKJNGEL-JXQFQVJHSA-N 2 2 383.580 3.549 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc2c(c1)CCCC2 ZINC000549841629 844442267 /nfs/dbraw/zinc/44/22/67/844442267.db2.gz XILIXIMBKJNGEL-JXQFQVJHSA-N 2 2 383.580 3.549 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc2c(c1)CCCC2 ZINC000549841629 844442275 /nfs/dbraw/zinc/44/22/75/844442275.db2.gz XILIXIMBKJNGEL-JXQFQVJHSA-N 2 2 383.580 3.549 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc2c(c1)CCCC2 ZINC000549841629 844442280 /nfs/dbraw/zinc/44/22/80/844442280.db2.gz XILIXIMBKJNGEL-JXQFQVJHSA-N 2 2 383.580 3.549 20 0 GHADLP CCC(CC)(C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)[NH2+][C@H](C)c1ccccc1 ZINC000580458352 839591156 /nfs/dbraw/zinc/59/11/56/839591156.db2.gz MBDSYTPEZUQGBC-RLLQIKCJSA-N 2 2 380.598 3.841 20 0 GHADLP CCOc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(Br)c1O ZINC000656276694 840038909 /nfs/dbraw/zinc/03/89/09/840038909.db2.gz ICWLCOFXTRZJIP-CVEARBPZSA-N 2 2 383.330 3.660 20 0 GHADLP CCOc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc(Br)c1O ZINC000656276694 840038919 /nfs/dbraw/zinc/03/89/19/840038919.db2.gz ICWLCOFXTRZJIP-CVEARBPZSA-N 2 2 383.330 3.660 20 0 GHADLP C[C@H](CC[NH2+][C@H](CO)c1ccc(Cl)cc1)[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000580920328 840426560 /nfs/dbraw/zinc/42/65/60/840426560.db2.gz GFNQYZAZONRIGR-JSNMRZPZSA-N 2 2 397.346 3.718 20 0 GHADLP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CC1 ZINC000364030758 840480982 /nfs/dbraw/zinc/48/09/82/840480982.db2.gz RMKWGAVNVRTHEN-SFHVURJKSA-N 2 2 398.576 3.573 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)s1 ZINC000511778309 840716129 /nfs/dbraw/zinc/71/61/29/840716129.db2.gz QZKFWLPQNCXRNW-CYBMUJFWSA-N 2 2 385.364 3.880 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H](C4CCCCC4)C3)CC2)CC1 ZINC000660575915 840947264 /nfs/dbraw/zinc/94/72/64/840947264.db2.gz YBPUGTGBWMNJPN-HXUWFJFHSA-N 2 2 390.616 3.547 20 0 GHADLP COc1ncc(Br)cc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660255294 841082336 /nfs/dbraw/zinc/08/23/36/841082336.db2.gz AJTJEHVFLWIZEJ-KGLIPLIRSA-N 2 2 382.346 3.595 20 0 GHADLP COc1ncc(Br)cc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660255294 841082348 /nfs/dbraw/zinc/08/23/48/841082348.db2.gz AJTJEHVFLWIZEJ-KGLIPLIRSA-N 2 2 382.346 3.595 20 0 GHADLP Cc1ccc(Oc2ccccc2NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000430576990 841207570 /nfs/dbraw/zinc/20/75/70/841207570.db2.gz TWWPDFBXLPWUAI-UHFFFAOYSA-N 2 2 397.519 3.556 20 0 GHADLP c1c(C[NH2+]CCCNc2cccc[nH+]2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000177590715 861199006 /nfs/dbraw/zinc/19/90/06/861199006.db2.gz KCFIMFKXMQWIKX-UHFFFAOYSA-N 2 2 384.487 3.921 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000500103223 841446175 /nfs/dbraw/zinc/44/61/75/841446175.db2.gz BIZUBABQENJRMU-WMZHIEFXSA-N 2 2 388.515 3.572 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000500103223 841446181 /nfs/dbraw/zinc/44/61/81/841446181.db2.gz BIZUBABQENJRMU-WMZHIEFXSA-N 2 2 388.515 3.572 20 0 GHADLP c1cn(CCCc2ccccc2)c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000164343721 841601948 /nfs/dbraw/zinc/60/19/48/841601948.db2.gz HLNAEACZTFVRDH-UHFFFAOYSA-N 2 2 375.520 3.670 20 0 GHADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662791967 841634830 /nfs/dbraw/zinc/63/48/30/841634830.db2.gz UIRZMNQDWDZENU-DYESRHJHSA-N 2 2 395.522 3.723 20 0 GHADLP CC(C)[C@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[NH+]1CCCCCC1 ZINC000500223711 841685110 /nfs/dbraw/zinc/68/51/10/841685110.db2.gz YOVFHBBCWUUBRJ-QFIPXVFZSA-N 2 2 397.567 3.631 20 0 GHADLP C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000236725890 841685614 /nfs/dbraw/zinc/68/56/14/841685614.db2.gz RCCRNHVVDYWXAZ-UHFFFAOYSA-N 2 2 396.288 3.937 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc2c(c1)CCC2 ZINC000481400440 861251330 /nfs/dbraw/zinc/25/13/30/861251330.db2.gz HBGRSEOWXYSGHH-IBGZPJMESA-N 2 2 380.532 3.737 20 0 GHADLP CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001167833717 842207476 /nfs/dbraw/zinc/20/74/76/842207476.db2.gz DIRGRRAADYYRHE-LAUBAEHRSA-N 2 2 376.541 3.668 20 0 GHADLP CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001167833717 842207485 /nfs/dbraw/zinc/20/74/85/842207485.db2.gz DIRGRRAADYYRHE-LAUBAEHRSA-N 2 2 376.541 3.668 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000066986001 842262765 /nfs/dbraw/zinc/26/27/65/842262765.db2.gz HWGFNEYHKYVVLJ-UHFFFAOYSA-N 2 2 395.551 3.670 20 0 GHADLP C[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Oc1ccccc1Br ZINC000512067901 842397180 /nfs/dbraw/zinc/39/71/80/842397180.db2.gz OIAMSLLJWNOCER-GFCCVEGCSA-N 2 2 384.343 3.524 20 0 GHADLP COc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(Br)c1 ZINC000512117329 842550961 /nfs/dbraw/zinc/55/09/61/842550961.db2.gz UDOPYNKEDTUIDB-UHFFFAOYSA-N 2 2 386.293 3.992 20 0 GHADLP C[C@@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000606371514 842595570 /nfs/dbraw/zinc/59/55/70/842595570.db2.gz BFXAFIAHABDEEQ-INIZCTEOSA-N 2 2 399.501 3.683 20 0 GHADLP C[C@@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000606371514 842595577 /nfs/dbraw/zinc/59/55/77/842595577.db2.gz BFXAFIAHABDEEQ-INIZCTEOSA-N 2 2 399.501 3.683 20 0 GHADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3nnc(Cc4ccccc4C)o3)C1)CCCC2 ZINC000548338034 842676901 /nfs/dbraw/zinc/67/69/01/842676901.db2.gz NAUFSHBCIGEURP-LJQANCHMSA-N 2 2 391.519 3.800 20 0 GHADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3nnc(Cc4ccccc4C)o3)C1)CCCC2 ZINC000548338034 842676905 /nfs/dbraw/zinc/67/69/05/842676905.db2.gz NAUFSHBCIGEURP-LJQANCHMSA-N 2 2 391.519 3.800 20 0 GHADLP COCCOc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1OC ZINC000512212219 843106674 /nfs/dbraw/zinc/10/66/74/843106674.db2.gz KRLOLCNWUJAQPK-FPOVZHCZSA-N 2 2 390.568 3.807 20 0 GHADLP COCCOc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1OC ZINC000512212219 843106681 /nfs/dbraw/zinc/10/66/81/843106681.db2.gz KRLOLCNWUJAQPK-FPOVZHCZSA-N 2 2 390.568 3.807 20 0 GHADLP COCCOc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1OC ZINC000512212219 843106687 /nfs/dbraw/zinc/10/66/87/843106687.db2.gz KRLOLCNWUJAQPK-FPOVZHCZSA-N 2 2 390.568 3.807 20 0 GHADLP COCCOc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1OC ZINC000512212219 843106691 /nfs/dbraw/zinc/10/66/91/843106691.db2.gz KRLOLCNWUJAQPK-FPOVZHCZSA-N 2 2 390.568 3.807 20 0 GHADLP CC(C)c1nc2cc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)ccc2o1 ZINC000548407354 843237935 /nfs/dbraw/zinc/23/79/35/843237935.db2.gz JUNXVLXWOMYQIL-UHFFFAOYSA-N 2 2 399.539 3.631 20 0 GHADLP Cc1oc(-c2ccccc2)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000186916768 843240531 /nfs/dbraw/zinc/24/05/31/843240531.db2.gz RXRXYLRTXPOFIF-UHFFFAOYSA-N 2 2 383.536 3.661 20 0 GHADLP Cc1oc(-c2ccccc2)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000186916768 843240538 /nfs/dbraw/zinc/24/05/38/843240538.db2.gz RXRXYLRTXPOFIF-UHFFFAOYSA-N 2 2 383.536 3.661 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662512672 843377240 /nfs/dbraw/zinc/37/72/40/843377240.db2.gz RKDSNICYGNTVPH-PMACEKPBSA-N 2 2 387.886 3.648 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662512672 843377253 /nfs/dbraw/zinc/37/72/53/843377253.db2.gz RKDSNICYGNTVPH-PMACEKPBSA-N 2 2 387.886 3.648 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)s1 ZINC000511975445 843420087 /nfs/dbraw/zinc/42/00/87/843420087.db2.gz VXVRHKQANSXHBD-ZDUSSCGKSA-N 2 2 384.471 3.592 20 0 GHADLP CN(C(=O)c1ccc(C(F)F)o1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000626262038 843555802 /nfs/dbraw/zinc/55/58/02/843555802.db2.gz SUEGFCBGKPQYEP-CVEARBPZSA-N 2 2 383.483 3.626 20 0 GHADLP CN(C(=O)c1ccc(C(F)F)o1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000626262038 843555809 /nfs/dbraw/zinc/55/58/09/843555809.db2.gz SUEGFCBGKPQYEP-CVEARBPZSA-N 2 2 383.483 3.626 20 0 GHADLP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cc(Cl)ccc1Cl ZINC000604185507 843647508 /nfs/dbraw/zinc/64/75/08/843647508.db2.gz XANFXAUVDHMUMF-HIFRSBDPSA-N 2 2 399.366 3.522 20 0 GHADLP C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cc(Cl)ccc1Cl ZINC000604185507 843647511 /nfs/dbraw/zinc/64/75/11/843647511.db2.gz XANFXAUVDHMUMF-HIFRSBDPSA-N 2 2 399.366 3.522 20 0 GHADLP Cc1ccc(C)c(Oc2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cn2)c1 ZINC000655690439 861441944 /nfs/dbraw/zinc/44/19/44/861441944.db2.gz ABUUCVPLNJYKGZ-OAQYLSRUSA-N 2 2 381.520 3.834 20 0 GHADLP Fc1cc(Br)ccc1[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000925777549 843687940 /nfs/dbraw/zinc/68/79/40/843687940.db2.gz POXLBCRURLOSNI-ABAIWWIYSA-N 2 2 377.248 3.874 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(Nc3nc(C(F)F)nc4ccc(F)cc43)CC2)CC1 ZINC000663482745 843730936 /nfs/dbraw/zinc/73/09/36/843730936.db2.gz WPCBEHXNOOBJJJ-UHFFFAOYSA-N 2 2 393.457 3.677 20 0 GHADLP Cc1ncsc1CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510904770 843768278 /nfs/dbraw/zinc/76/82/78/843768278.db2.gz LNJNQGDYJAKWIV-UHFFFAOYSA-N 2 2 395.326 3.748 20 0 GHADLP Cc1ncsc1CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510904770 843768286 /nfs/dbraw/zinc/76/82/86/843768286.db2.gz LNJNQGDYJAKWIV-UHFFFAOYSA-N 2 2 395.326 3.748 20 0 GHADLP O=C1[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000419289411 843896289 /nfs/dbraw/zinc/89/62/89/843896289.db2.gz IWXMXAQGFYAWLD-QGZVFWFLSA-N 2 2 382.335 3.705 20 0 GHADLP Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000576150354 843909135 /nfs/dbraw/zinc/90/91/35/843909135.db2.gz OFEGBDYRYPRTPB-REWPJTCUSA-N 2 2 379.504 3.579 20 0 GHADLP CCCCC[C@H]1CCCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000663877497 844728637 /nfs/dbraw/zinc/72/86/37/844728637.db2.gz XMADSWKFAKVOKQ-NRFANRHFSA-N 2 2 378.605 3.689 20 0 GHADLP CN(C(=O)c1cn(C)c2ccccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535848724 844767086 /nfs/dbraw/zinc/76/70/86/844767086.db2.gz ATGAOMTWDONICB-PKTZIBPZSA-N 2 2 396.579 3.588 20 0 GHADLP CN(C(=O)c1cn(C)c2ccccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535848724 844767101 /nfs/dbraw/zinc/76/71/01/844767101.db2.gz ATGAOMTWDONICB-PKTZIBPZSA-N 2 2 396.579 3.588 20 0 GHADLP CC[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535876156 844962470 /nfs/dbraw/zinc/96/24/70/844962470.db2.gz MDXNEGBTGAZFKN-PMXSJFBMSA-N 2 2 378.605 3.544 20 0 GHADLP CC[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535876156 844962479 /nfs/dbraw/zinc/96/24/79/844962479.db2.gz MDXNEGBTGAZFKN-PMXSJFBMSA-N 2 2 378.605 3.544 20 0 GHADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000512667620 844963675 /nfs/dbraw/zinc/96/36/75/844963675.db2.gz FJUMWGXKTONNEZ-WTCGPSRQSA-N 2 2 394.538 3.768 20 0 GHADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000512667620 844963679 /nfs/dbraw/zinc/96/36/79/844963679.db2.gz FJUMWGXKTONNEZ-WTCGPSRQSA-N 2 2 394.538 3.768 20 0 GHADLP CN(C(=O)Nc1cccc2cc[nH]c21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000548506876 845070123 /nfs/dbraw/zinc/07/01/23/845070123.db2.gz HBZPVIZCMRGJRI-RTWAWAEBSA-N 2 2 397.567 3.969 20 0 GHADLP CN(C(=O)Nc1cccc2cc[nH]c21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000548506876 845070134 /nfs/dbraw/zinc/07/01/34/845070134.db2.gz HBZPVIZCMRGJRI-RTWAWAEBSA-N 2 2 397.567 3.969 20 0 GHADLP CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)[NH+](C)C)cc1 ZINC000513396325 845351457 /nfs/dbraw/zinc/35/14/57/845351457.db2.gz PWPGEAIRDUMYCG-LEWJYISDSA-N 2 2 397.567 3.800 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cccc(Br)c1Cl ZINC000411410187 845422107 /nfs/dbraw/zinc/42/21/07/845422107.db2.gz RRTAEWRAOYESBO-UHFFFAOYSA-N 2 2 388.781 3.560 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cccc(Br)c1Cl ZINC000411410187 845422112 /nfs/dbraw/zinc/42/21/12/845422112.db2.gz RRTAEWRAOYESBO-UHFFFAOYSA-N 2 2 388.781 3.560 20 0 GHADLP C[N@H+](CCOc1cccc(C[NH2+]Cc2ncc(Cl)s2)c1)C1CCOCC1 ZINC000472064280 845652038 /nfs/dbraw/zinc/65/20/38/845652038.db2.gz RJNBPNZSGFZRTJ-UHFFFAOYSA-N 2 2 395.956 3.576 20 0 GHADLP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ncc(Cl)s2)c1)C1CCOCC1 ZINC000472064280 845652045 /nfs/dbraw/zinc/65/20/45/845652045.db2.gz RJNBPNZSGFZRTJ-UHFFFAOYSA-N 2 2 395.956 3.576 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@H](C)c2ccc(OC)cc2)[C@@H]1c1cnn(C)c1 ZINC000434015877 845731183 /nfs/dbraw/zinc/73/11/83/845731183.db2.gz KDMYVAQWZDLMSH-GREBRCKQSA-N 2 2 384.568 3.937 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@H](C)c2ccc(OC)cc2)[C@@H]1c1cnn(C)c1 ZINC000434015877 845731185 /nfs/dbraw/zinc/73/11/85/845731185.db2.gz KDMYVAQWZDLMSH-GREBRCKQSA-N 2 2 384.568 3.937 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@H](C)c2ccc(OC)cc2)[C@@H]1c1cnn(C)c1 ZINC000434015877 845731187 /nfs/dbraw/zinc/73/11/87/845731187.db2.gz KDMYVAQWZDLMSH-GREBRCKQSA-N 2 2 384.568 3.937 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@H](C)c2ccc(OC)cc2)[C@@H]1c1cnn(C)c1 ZINC000434015877 845731188 /nfs/dbraw/zinc/73/11/88/845731188.db2.gz KDMYVAQWZDLMSH-GREBRCKQSA-N 2 2 384.568 3.937 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000156946921 845775195 /nfs/dbraw/zinc/77/51/95/845775195.db2.gz MOCFIMJTNAJIPC-CVDCTZTESA-N 2 2 379.548 3.873 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000156946921 845775199 /nfs/dbraw/zinc/77/51/99/845775199.db2.gz MOCFIMJTNAJIPC-CVDCTZTESA-N 2 2 379.548 3.873 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C(=O)N(C)C)c2)CC[NH+]1Cc1ccccc1 ZINC000156946921 845775202 /nfs/dbraw/zinc/77/52/02/845775202.db2.gz MOCFIMJTNAJIPC-CVDCTZTESA-N 2 2 379.548 3.873 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C(=O)N(C)C)c2)CC[NH+]1Cc1ccccc1 ZINC000156946921 845775204 /nfs/dbraw/zinc/77/52/04/845775204.db2.gz MOCFIMJTNAJIPC-CVDCTZTESA-N 2 2 379.548 3.873 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2NC(C)=O)C[C@H]1C ZINC000892103639 845805490 /nfs/dbraw/zinc/80/54/90/845805490.db2.gz LJMXZAGKZMSRTQ-DYVFJYSZSA-N 2 2 382.346 3.712 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2NC(C)=O)C[C@H]1C ZINC000892103639 845805492 /nfs/dbraw/zinc/80/54/92/845805492.db2.gz LJMXZAGKZMSRTQ-DYVFJYSZSA-N 2 2 382.346 3.712 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2NC(C)=O)C[C@H]1C ZINC000892103639 845805499 /nfs/dbraw/zinc/80/54/99/845805499.db2.gz LJMXZAGKZMSRTQ-DYVFJYSZSA-N 2 2 382.346 3.712 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2NC(C)=O)C[C@H]1C ZINC000892103639 845805500 /nfs/dbraw/zinc/80/55/00/845805500.db2.gz LJMXZAGKZMSRTQ-DYVFJYSZSA-N 2 2 382.346 3.712 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@H](C(=O)OC(C)(C)C)[C@@H]3C)sc2C1 ZINC000421369110 846181458 /nfs/dbraw/zinc/18/14/58/846181458.db2.gz XUVUVABSVAKNQR-HOTGVXAUSA-N 2 2 393.597 3.852 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@H](C(=O)OC(C)(C)C)[C@@H]3C)sc2C1 ZINC000421369110 846181462 /nfs/dbraw/zinc/18/14/62/846181462.db2.gz XUVUVABSVAKNQR-HOTGVXAUSA-N 2 2 393.597 3.852 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@H](C(=O)OC(C)(C)C)[C@@H]3C)sc2C1 ZINC000421369110 846181466 /nfs/dbraw/zinc/18/14/66/846181466.db2.gz XUVUVABSVAKNQR-HOTGVXAUSA-N 2 2 393.597 3.852 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@H](C(=O)OC(C)(C)C)[C@@H]3C)sc2C1 ZINC000421369110 846181467 /nfs/dbraw/zinc/18/14/67/846181467.db2.gz XUVUVABSVAKNQR-HOTGVXAUSA-N 2 2 393.597 3.852 20 0 GHADLP Cc1nc2ccc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2o1 ZINC000279997791 846262234 /nfs/dbraw/zinc/26/22/34/846262234.db2.gz KWFQRFJNCPNWEV-SFTDATJTSA-N 2 2 398.551 3.545 20 0 GHADLP Cc1nc2ccc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2o1 ZINC000279997791 846262248 /nfs/dbraw/zinc/26/22/48/846262248.db2.gz KWFQRFJNCPNWEV-SFTDATJTSA-N 2 2 398.551 3.545 20 0 GHADLP Cc1ccc(-c2cc(C[NH+]3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)on2)cc1 ZINC000501112259 846659874 /nfs/dbraw/zinc/65/98/74/846659874.db2.gz UKJUPXWUMYMKTR-WOJBJXKFSA-N 2 2 382.552 3.640 20 0 GHADLP CCc1ccc([C@@H](C)CC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000422019365 846771646 /nfs/dbraw/zinc/77/16/46/846771646.db2.gz LPXYOZMMOZDRKS-FQEVSTJZSA-N 2 2 385.596 3.761 20 0 GHADLP CCc1ccc([C@@H](C)CC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000422019365 846771653 /nfs/dbraw/zinc/77/16/53/846771653.db2.gz LPXYOZMMOZDRKS-FQEVSTJZSA-N 2 2 385.596 3.761 20 0 GHADLP Clc1cc(I)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000501406630 846909814 /nfs/dbraw/zinc/90/98/14/846909814.db2.gz OSIUAACJDMSMIR-KGLIPLIRSA-N 2 2 390.696 3.661 20 0 GHADLP Clc1cc(I)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000501406630 846909827 /nfs/dbraw/zinc/90/98/27/846909827.db2.gz OSIUAACJDMSMIR-KGLIPLIRSA-N 2 2 390.696 3.661 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)cn1 ZINC000272146266 847002339 /nfs/dbraw/zinc/00/23/39/847002339.db2.gz LGJMIWBQVMKAFO-UHFFFAOYSA-N 2 2 378.476 3.821 20 0 GHADLP CN(C(=O)C1CCC(C2CC2)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001268966854 847097166 /nfs/dbraw/zinc/09/71/66/847097166.db2.gz DNIMNZCGXPCDET-PHFCHIBXSA-N 2 2 389.628 3.998 20 0 GHADLP CN(C(=O)C1CCC(C2CC2)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001268966854 847097173 /nfs/dbraw/zinc/09/71/73/847097173.db2.gz DNIMNZCGXPCDET-PHFCHIBXSA-N 2 2 389.628 3.998 20 0 GHADLP Cc1ccc(S(=O)(=O)c2ccc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cc2)cc1 ZINC000420341731 847119904 /nfs/dbraw/zinc/11/99/04/847119904.db2.gz VPWYRWDSMQPNOQ-QHCPKHFHSA-N 2 2 398.572 3.792 20 0 GHADLP C[C@@H](c1cc(Cl)ccc1Cl)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000420354135 847134861 /nfs/dbraw/zinc/13/48/61/847134861.db2.gz OGBIUCITKLBYQG-LBPRGKRZSA-N 2 2 380.323 3.629 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(Cl)cc1Cl ZINC000420353379 847134895 /nfs/dbraw/zinc/13/48/95/847134895.db2.gz AZYZITIJYPOETD-CKFHNAJUSA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(Cl)cc1Cl ZINC000420353379 847134901 /nfs/dbraw/zinc/13/49/01/847134901.db2.gz AZYZITIJYPOETD-CKFHNAJUSA-N 2 2 384.351 3.635 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000272676489 847143262 /nfs/dbraw/zinc/14/32/62/847143262.db2.gz RAWMFRFDRYPJRU-PGRDOPGGSA-N 3 2 375.520 3.576 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272676489 847143270 /nfs/dbraw/zinc/14/32/70/847143270.db2.gz RAWMFRFDRYPJRU-PGRDOPGGSA-N 3 2 375.520 3.576 20 0 GHADLP CCn1cc(CC[N@H+](CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cn1 ZINC000375703596 847163596 /nfs/dbraw/zinc/16/35/96/847163596.db2.gz XMXXJIWJBHGQAA-UHFFFAOYSA-N 2 2 384.572 3.658 20 0 GHADLP CCn1cc(CC[N@@H+](CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cn1 ZINC000375703596 847163601 /nfs/dbraw/zinc/16/36/01/847163601.db2.gz XMXXJIWJBHGQAA-UHFFFAOYSA-N 2 2 384.572 3.658 20 0 GHADLP CC[N@H+](CC(=O)NC[C@H]1CCC[NH+](CC(C)C)C1)Cc1ccccc1Cl ZINC000502090935 847460252 /nfs/dbraw/zinc/46/02/52/847460252.db2.gz TVLCKZSJCVLXEQ-GOSISDBHSA-N 2 2 379.976 3.646 20 0 GHADLP CC[N@@H+](CC(=O)NC[C@H]1CCC[NH+](CC(C)C)C1)Cc1ccccc1Cl ZINC000502090935 847460255 /nfs/dbraw/zinc/46/02/55/847460255.db2.gz TVLCKZSJCVLXEQ-GOSISDBHSA-N 2 2 379.976 3.646 20 0 GHADLP CC[NH+](CC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)Cc1ccccc1Cl ZINC000502090935 847460259 /nfs/dbraw/zinc/46/02/59/847460259.db2.gz TVLCKZSJCVLXEQ-GOSISDBHSA-N 2 2 379.976 3.646 20 0 GHADLP CC[NH+](CC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)Cc1ccccc1Cl ZINC000502090935 847460263 /nfs/dbraw/zinc/46/02/63/847460263.db2.gz TVLCKZSJCVLXEQ-GOSISDBHSA-N 2 2 379.976 3.646 20 0 GHADLP Clc1cccnc1C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420920891 847541516 /nfs/dbraw/zinc/54/15/16/847541516.db2.gz KMYZZNSDKJFMRT-UHFFFAOYSA-N 2 2 385.939 3.947 20 0 GHADLP c1ccc2c(c1)CO[C@]21CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420923430 847544623 /nfs/dbraw/zinc/54/46/23/847544623.db2.gz QECTVYSOQSKNLX-DEOSSOPVSA-N 2 2 378.516 3.540 20 0 GHADLP c1ccc2c(c1)CO[C@]21CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420923430 847544628 /nfs/dbraw/zinc/54/46/28/847544628.db2.gz QECTVYSOQSKNLX-DEOSSOPVSA-N 2 2 378.516 3.540 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420946977 847568559 /nfs/dbraw/zinc/56/85/59/847568559.db2.gz BRYQNHIGXLUPEZ-GOUWZUTHSA-N 2 2 386.580 3.670 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420946977 847568565 /nfs/dbraw/zinc/56/85/65/847568565.db2.gz BRYQNHIGXLUPEZ-GOUWZUTHSA-N 2 2 386.580 3.670 20 0 GHADLP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000481597884 861817285 /nfs/dbraw/zinc/81/72/85/861817285.db2.gz MEFDTDWEGZIYMX-QFBILLFUSA-N 2 2 395.950 3.997 20 0 GHADLP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000481597884 861817307 /nfs/dbraw/zinc/81/73/07/861817307.db2.gz MEFDTDWEGZIYMX-QFBILLFUSA-N 2 2 395.950 3.997 20 0 GHADLP CCCn1nccc1C1CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000502316151 847752784 /nfs/dbraw/zinc/75/27/84/847752784.db2.gz KIGVQOAGIRCECJ-UHFFFAOYSA-N 2 2 387.597 3.896 20 0 GHADLP CCCn1nccc1C1CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000502316151 847752795 /nfs/dbraw/zinc/75/27/95/847752795.db2.gz KIGVQOAGIRCECJ-UHFFFAOYSA-N 2 2 387.597 3.896 20 0 GHADLP COc1cc(OC)c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(OC)c1 ZINC000502342291 847774806 /nfs/dbraw/zinc/77/48/06/847774806.db2.gz BMQSFJITXKBUFL-MRXNPFEDSA-N 2 2 385.508 3.625 20 0 GHADLP COc1cc(OC)c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(OC)c1 ZINC000502342291 847774811 /nfs/dbraw/zinc/77/48/11/847774811.db2.gz BMQSFJITXKBUFL-MRXNPFEDSA-N 2 2 385.508 3.625 20 0 GHADLP O=C([C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1)N1CCCCC1 ZINC000481609982 861832578 /nfs/dbraw/zinc/83/25/78/861832578.db2.gz IDOYTWGCYGLZMH-LADGPHEKSA-N 2 2 391.559 3.852 20 0 GHADLP O=C([C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1)N1CCCCC1 ZINC000481609982 861832594 /nfs/dbraw/zinc/83/25/94/861832594.db2.gz IDOYTWGCYGLZMH-LADGPHEKSA-N 2 2 391.559 3.852 20 0 GHADLP COc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])N2CCCCC2)cc1 ZINC000422769883 847816173 /nfs/dbraw/zinc/81/61/73/847816173.db2.gz VLFMBGPIINFESF-IGKWTDBASA-N 2 2 381.564 3.770 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC000422788818 847820617 /nfs/dbraw/zinc/82/06/17/847820617.db2.gz NMNNIDPWGJNACE-GDBMZVCRSA-N 2 2 395.425 3.749 20 0 GHADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000422785089 847821865 /nfs/dbraw/zinc/82/18/65/847821865.db2.gz JHOCGVJTHBOLHA-LAUBAEHRSA-N 2 2 394.494 3.535 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCN(c3ccccc3OC)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422851892 847854559 /nfs/dbraw/zinc/85/45/59/847854559.db2.gz PRJSWTIPLJFXJY-XZOYJPPVSA-N 2 2 395.547 3.613 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CCN(c3ccccc3OC)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422841688 847862489 /nfs/dbraw/zinc/86/24/89/847862489.db2.gz WOVBJQMFDAXDKG-QPPBQGQZSA-N 2 2 395.547 3.756 20 0 GHADLP C[C@@H](NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422895067 847888708 /nfs/dbraw/zinc/88/87/08/847888708.db2.gz VETGBDXMJHSTSB-DNVCBOLYSA-N 2 2 380.374 3.534 20 0 GHADLP COCCc1ccc(OC[C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000667912450 861899188 /nfs/dbraw/zinc/89/91/88/861899188.db2.gz ILTAYTZWGLXSIV-WOJBJXKFSA-N 2 2 397.563 3.853 20 0 GHADLP CC(C)(C)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000097573560 848469139 /nfs/dbraw/zinc/46/91/39/848469139.db2.gz JZVACYNIPQBBAH-FQEVSTJZSA-N 2 2 387.568 3.606 20 0 GHADLP CC(C)(C)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000097573560 848469144 /nfs/dbraw/zinc/46/91/44/848469144.db2.gz JZVACYNIPQBBAH-FQEVSTJZSA-N 2 2 387.568 3.606 20 0 GHADLP Cc1ccccc1[C@@H](CC(C)C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604199167 861966605 /nfs/dbraw/zinc/96/66/05/861966605.db2.gz KMEHTPKIFRAPRQ-SIKLNZKXSA-N 2 2 386.584 3.550 20 0 GHADLP Cc1ccccc1[C@@H](CC(C)C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604199167 861966614 /nfs/dbraw/zinc/96/66/14/861966614.db2.gz KMEHTPKIFRAPRQ-SIKLNZKXSA-N 2 2 386.584 3.550 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423124601 849749264 /nfs/dbraw/zinc/74/92/64/849749264.db2.gz OUKAALFKQWPWSR-DFHBCGBQSA-N 2 2 392.341 3.664 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423124603 849749508 /nfs/dbraw/zinc/74/95/08/849749508.db2.gz OUKAALFKQWPWSR-RVZJWNSFSA-N 2 2 392.341 3.664 20 0 GHADLP C[C@H](NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423104746 849754743 /nfs/dbraw/zinc/75/47/43/849754743.db2.gz MPCZHKHUZPCVAT-XKQJLSEDSA-N 2 2 377.882 3.995 20 0 GHADLP C[C@H](NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423104746 849754749 /nfs/dbraw/zinc/75/47/49/849754749.db2.gz MPCZHKHUZPCVAT-XKQJLSEDSA-N 2 2 377.882 3.995 20 0 GHADLP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423186305 849779604 /nfs/dbraw/zinc/77/96/04/849779604.db2.gz KXIGISQOUOBBPZ-QGZVFWFLSA-N 2 2 378.289 3.740 20 0 GHADLP CN1CC[N@H+](CCNc2cc[nH+]c3cc(OC(F)(F)F)ccc23)CC1(C)C ZINC000899874311 862060208 /nfs/dbraw/zinc/06/02/08/862060208.db2.gz SQKUEISZSCDYMP-UHFFFAOYSA-N 2 2 382.430 3.571 20 0 GHADLP CN1CC[N@@H+](CCNc2cc[nH+]c3cc(OC(F)(F)F)ccc23)CC1(C)C ZINC000899874311 862060212 /nfs/dbraw/zinc/06/02/12/862060212.db2.gz SQKUEISZSCDYMP-UHFFFAOYSA-N 2 2 382.430 3.571 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000423233493 849820450 /nfs/dbraw/zinc/82/04/50/849820450.db2.gz OMXGSVJCOQGRLI-CQSZACIVSA-N 2 2 380.414 3.605 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)cc1 ZINC000423346579 849863552 /nfs/dbraw/zinc/86/35/52/849863552.db2.gz YRVYIXZCDZLFFN-CZAAIQMYSA-N 2 2 384.520 3.817 20 0 GHADLP COC[C@]1(C[NH2+][C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)CCC[NH2+]1 ZINC000423445660 849921127 /nfs/dbraw/zinc/92/11/27/849921127.db2.gz YMSARWZBZJOUCY-JLTOFOAXSA-N 2 2 375.538 3.546 20 0 GHADLP O=C(NCCCCC[NH+]1CCCC1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000458851123 850185647 /nfs/dbraw/zinc/18/56/47/850185647.db2.gz MLDATGHICJLOKD-YADHBBJMSA-N 2 2 395.551 3.677 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732139458 862104330 /nfs/dbraw/zinc/10/43/30/862104330.db2.gz UZDKBLCTTIHAJC-GOSISDBHSA-N 2 2 392.906 3.545 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732139458 862104332 /nfs/dbraw/zinc/10/43/32/862104332.db2.gz UZDKBLCTTIHAJC-GOSISDBHSA-N 2 2 392.906 3.545 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000514760393 850256420 /nfs/dbraw/zinc/25/64/20/850256420.db2.gz LLIDSXJOGXIJML-RTBURBONSA-N 2 2 393.531 3.990 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000481723813 862131898 /nfs/dbraw/zinc/13/18/98/862131898.db2.gz BHSUKVRRTDRBBQ-FXAWDEMLSA-N 2 2 381.520 3.588 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000481723813 862131907 /nfs/dbraw/zinc/13/19/07/862131907.db2.gz BHSUKVRRTDRBBQ-FXAWDEMLSA-N 2 2 381.520 3.588 20 0 GHADLP C[NH+](C)[C@@H]1CCOc2c(NC(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)cccc21 ZINC000514933233 850502523 /nfs/dbraw/zinc/50/25/23/850502523.db2.gz SJZUBQFADZEADI-UYAOXDASSA-N 2 2 390.487 3.956 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000514947215 850523757 /nfs/dbraw/zinc/52/37/57/850523757.db2.gz QXGYXFXSSZCREJ-WIYYLYMNSA-N 2 2 388.515 3.827 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000514947215 850523766 /nfs/dbraw/zinc/52/37/66/850523766.db2.gz QXGYXFXSSZCREJ-WIYYLYMNSA-N 2 2 388.515 3.827 20 0 GHADLP Cc1c([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)nnn1-c1ccc(C)cc1 ZINC000481729667 862142654 /nfs/dbraw/zinc/14/26/54/862142654.db2.gz QVBCKQOYDVBQLO-GOSISDBHSA-N 2 2 393.535 3.675 20 0 GHADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000414807384 850630655 /nfs/dbraw/zinc/63/06/55/850630655.db2.gz CSMMJLKYHLLQDX-NSHDSACASA-N 2 2 381.261 3.666 20 0 GHADLP C[N@H+](Cc1ccccc1C(F)(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000509169318 862150998 /nfs/dbraw/zinc/15/09/98/862150998.db2.gz QNGKSLLKJKRMEL-HXUWFJFHSA-N 2 2 378.438 3.774 20 0 GHADLP C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000509169318 862151005 /nfs/dbraw/zinc/15/10/05/862151005.db2.gz QNGKSLLKJKRMEL-HXUWFJFHSA-N 2 2 378.438 3.774 20 0 GHADLP C[NH+](Cc1ccccc1C(F)(F)F)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000509169318 862151009 /nfs/dbraw/zinc/15/10/09/862151009.db2.gz QNGKSLLKJKRMEL-HXUWFJFHSA-N 2 2 378.438 3.774 20 0 GHADLP C[NH+](Cc1ccccc1C(F)(F)F)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000509169318 862151014 /nfs/dbraw/zinc/15/10/14/862151014.db2.gz QNGKSLLKJKRMEL-HXUWFJFHSA-N 2 2 378.438 3.774 20 0 GHADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000519178859 850706728 /nfs/dbraw/zinc/70/67/28/850706728.db2.gz PSZPZYUMNMGBGF-AUUYWEPGSA-N 2 2 390.478 3.598 20 0 GHADLP CC[N@H+](Cc1nc(-c2ccc(Br)s2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435625422 850720958 /nfs/dbraw/zinc/72/09/58/850720958.db2.gz IDLWLZNKRNTXNO-NSHDSACASA-N 2 2 385.331 3.525 20 0 GHADLP CC[N@@H+](Cc1nc(-c2ccc(Br)s2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435625422 850720963 /nfs/dbraw/zinc/72/09/63/850720963.db2.gz IDLWLZNKRNTXNO-NSHDSACASA-N 2 2 385.331 3.525 20 0 GHADLP CCC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000625502928 862163374 /nfs/dbraw/zinc/16/33/74/862163374.db2.gz FMLOYNSCZSBPHQ-RTWAWAEBSA-N 2 2 391.987 3.851 20 0 GHADLP CCC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000625502928 862163381 /nfs/dbraw/zinc/16/33/81/862163381.db2.gz FMLOYNSCZSBPHQ-RTWAWAEBSA-N 2 2 391.987 3.851 20 0 GHADLP Cn1ccnc1C[N@H+](CCOc1cccc2ccccc21)[C@H]1CC12CC[NH2+]CC2 ZINC000435697029 850777006 /nfs/dbraw/zinc/77/70/06/850777006.db2.gz RKZWDIDZLIGJNC-QFIPXVFZSA-N 2 2 390.531 3.596 20 0 GHADLP Cn1ccnc1C[N@@H+](CCOc1cccc2ccccc21)[C@H]1CC12CC[NH2+]CC2 ZINC000435697029 850777014 /nfs/dbraw/zinc/77/70/14/850777014.db2.gz RKZWDIDZLIGJNC-QFIPXVFZSA-N 2 2 390.531 3.596 20 0 GHADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000647940357 850779165 /nfs/dbraw/zinc/77/91/65/850779165.db2.gz VHRLNUMZVCTYGY-HFAKWTLXSA-N 2 2 377.838 3.745 20 0 GHADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000647940357 850779174 /nfs/dbraw/zinc/77/91/74/850779174.db2.gz VHRLNUMZVCTYGY-HFAKWTLXSA-N 2 2 377.838 3.745 20 0 GHADLP Brc1ccc(-c2ncc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)s2)cc1 ZINC000519235805 850793243 /nfs/dbraw/zinc/79/32/43/850793243.db2.gz CDQSHIUUZNHODG-CYBMUJFWSA-N 2 2 389.322 3.943 20 0 GHADLP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000440208453 850918578 /nfs/dbraw/zinc/91/85/78/850918578.db2.gz ABBWVUUYZJJDKO-SFHVURJKSA-N 2 2 398.954 3.598 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430084669 851512974 /nfs/dbraw/zinc/51/29/74/851512974.db2.gz YLNBPZLJHRTXCT-UHFFFAOYSA-N 2 2 379.508 3.823 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430084669 851512989 /nfs/dbraw/zinc/51/29/89/851512989.db2.gz YLNBPZLJHRTXCT-UHFFFAOYSA-N 2 2 379.508 3.823 20 0 GHADLP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000111056149 851518481 /nfs/dbraw/zinc/51/84/81/851518481.db2.gz IKSWMGLSWRMPGD-RTWAWAEBSA-N 2 2 387.568 3.652 20 0 GHADLP CC1(C)C[N@H+](CC(=O)Nc2nccs2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836567 851838526 /nfs/dbraw/zinc/83/85/26/851838526.db2.gz OQNAYMHUVCBVNB-HXUWFJFHSA-N 2 2 398.576 3.704 20 0 GHADLP CC1(C)C[N@@H+](CC(=O)Nc2nccs2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836567 851838535 /nfs/dbraw/zinc/83/85/35/851838535.db2.gz OQNAYMHUVCBVNB-HXUWFJFHSA-N 2 2 398.576 3.704 20 0 GHADLP COc1cc(NC(=O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc2ccccc21 ZINC001167981933 852019136 /nfs/dbraw/zinc/01/91/36/852019136.db2.gz PXPNQLQLAGUNRA-VCSGRIEYSA-N 2 2 393.531 3.782 20 0 GHADLP COc1cc(NC(=O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc2ccccc21 ZINC001167981933 852019144 /nfs/dbraw/zinc/01/91/44/852019144.db2.gz PXPNQLQLAGUNRA-VCSGRIEYSA-N 2 2 393.531 3.782 20 0 GHADLP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000489294456 852201831 /nfs/dbraw/zinc/20/18/31/852201831.db2.gz MAEZISOHLGEWEG-UHFFFAOYSA-N 2 2 390.487 3.989 20 0 GHADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccc(Br)cc4)s3)C[C@@H]2C1 ZINC000425988146 852310947 /nfs/dbraw/zinc/31/09/47/852310947.db2.gz FBSOMDOOIGOJLT-OKILXGFUSA-N 2 2 378.339 3.566 20 0 GHADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccc(Br)cc4)s3)C[C@@H]2C1 ZINC000425988146 852310955 /nfs/dbraw/zinc/31/09/55/852310955.db2.gz FBSOMDOOIGOJLT-OKILXGFUSA-N 2 2 378.339 3.566 20 0 GHADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cnc(-c4ccc(Br)cc4)s3)C[C@@H]2C1 ZINC000425988146 852310962 /nfs/dbraw/zinc/31/09/62/852310962.db2.gz FBSOMDOOIGOJLT-OKILXGFUSA-N 2 2 378.339 3.566 20 0 GHADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cnc(-c4ccc(Br)cc4)s3)C[C@@H]2C1 ZINC000425988146 852310967 /nfs/dbraw/zinc/31/09/67/852310967.db2.gz FBSOMDOOIGOJLT-OKILXGFUSA-N 2 2 378.339 3.566 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000489686273 852546686 /nfs/dbraw/zinc/54/66/86/852546686.db2.gz QZLCRSFFKDPNAL-UHFFFAOYSA-N 2 2 387.474 3.747 20 0 GHADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000489686273 852546693 /nfs/dbraw/zinc/54/66/93/852546693.db2.gz QZLCRSFFKDPNAL-UHFFFAOYSA-N 2 2 387.474 3.747 20 0 GHADLP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414941244 852706937 /nfs/dbraw/zinc/70/69/37/852706937.db2.gz LGFHEKFNIHUCRC-MBSDFSHPSA-N 2 2 375.516 3.567 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c(Cl)c1 ZINC000516760773 852969639 /nfs/dbraw/zinc/96/96/39/852969639.db2.gz NEQMQMWTQBSSLX-JTSKRJEESA-N 2 2 387.955 3.988 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cn(-c2ccccc2)nn1 ZINC000507520918 853003991 /nfs/dbraw/zinc/00/39/91/853003991.db2.gz UGODZDVBFUOYGM-UZVYXBEXSA-N 2 2 387.531 3.829 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cn(-c2ccccc2)nn1 ZINC000507520918 853003998 /nfs/dbraw/zinc/00/39/98/853003998.db2.gz UGODZDVBFUOYGM-UZVYXBEXSA-N 2 2 387.531 3.829 20 0 GHADLP CC[C@@H](C(=O)NC[C@@H](C)[NH+]1CCc2sccc2C1)[N@H+](C)Cc1ccccc1 ZINC000516939609 853180691 /nfs/dbraw/zinc/18/06/91/853180691.db2.gz HKVBBWIIFCRDKF-XLIONFOSSA-N 2 2 385.577 3.522 20 0 GHADLP CC[C@@H](C(=O)NC[C@@H](C)[NH+]1CCc2sccc2C1)[N@@H+](C)Cc1ccccc1 ZINC000516939609 853180696 /nfs/dbraw/zinc/18/06/96/853180696.db2.gz HKVBBWIIFCRDKF-XLIONFOSSA-N 2 2 385.577 3.522 20 0 GHADLP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)[NH+](C)Cc1ccccc1 ZINC000516939609 853180701 /nfs/dbraw/zinc/18/07/01/853180701.db2.gz HKVBBWIIFCRDKF-XLIONFOSSA-N 2 2 385.577 3.522 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506481021 853272772 /nfs/dbraw/zinc/27/27/72/853272772.db2.gz NUGXZYNWWKPACR-SFHLNBCPSA-N 2 2 389.559 3.759 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506481021 853272785 /nfs/dbraw/zinc/27/27/85/853272785.db2.gz NUGXZYNWWKPACR-SFHLNBCPSA-N 2 2 389.559 3.759 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506481021 853272800 /nfs/dbraw/zinc/27/28/00/853272800.db2.gz NUGXZYNWWKPACR-SFHLNBCPSA-N 2 2 389.559 3.759 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506481021 853272804 /nfs/dbraw/zinc/27/28/04/853272804.db2.gz NUGXZYNWWKPACR-SFHLNBCPSA-N 2 2 389.559 3.759 20 0 GHADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000440541600 853359070 /nfs/dbraw/zinc/35/90/70/853359070.db2.gz TYPISUHJPIXRDR-NRFANRHFSA-N 2 2 388.515 3.857 20 0 GHADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000440541600 853359082 /nfs/dbraw/zinc/35/90/82/853359082.db2.gz TYPISUHJPIXRDR-NRFANRHFSA-N 2 2 388.515 3.857 20 0 GHADLP CC(C)[C@@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)[NH+]1CCCCCC1 ZINC000518465595 853380344 /nfs/dbraw/zinc/38/03/44/853380344.db2.gz QAZSLWHXHSIJLH-OAQYLSRUSA-N 2 2 383.540 3.572 20 0 GHADLP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491055053 853429146 /nfs/dbraw/zinc/42/91/46/853429146.db2.gz DYMKWNMJPDRCEV-FCHUYYIVSA-N 2 2 385.596 3.630 20 0 GHADLP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491055053 853429153 /nfs/dbraw/zinc/42/91/53/853429153.db2.gz DYMKWNMJPDRCEV-FCHUYYIVSA-N 2 2 385.596 3.630 20 0 GHADLP O=C1[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccc(F)cc1 ZINC000519824035 853532898 /nfs/dbraw/zinc/53/28/98/853532898.db2.gz GYTZXCRAMXXYNB-IRLDBZIGSA-N 2 2 393.506 3.718 20 0 GHADLP O=C1[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccc(F)cc1 ZINC000519824035 853532900 /nfs/dbraw/zinc/53/29/00/853532900.db2.gz GYTZXCRAMXXYNB-IRLDBZIGSA-N 2 2 393.506 3.718 20 0 GHADLP COc1ccc(CC[C@@H](C)[NH2+]CC2([NH+]3CCSCC3)CCCC2)cc1O ZINC000426398135 853708903 /nfs/dbraw/zinc/70/89/03/853708903.db2.gz WLESZRKXZHAVQQ-QGZVFWFLSA-N 2 2 378.582 3.673 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCC[C@@H](C(C)(C)C)CC3)CC2)CC1 ZINC000188177057 853819178 /nfs/dbraw/zinc/81/91/78/853819178.db2.gz JVVXELXDTPNDNU-MOPGFXCFSA-N 2 2 392.632 3.839 20 0 GHADLP C[C@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000164851704 853909111 /nfs/dbraw/zinc/90/91/11/853909111.db2.gz MJOYEPYUKZHPED-FPOVZHCZSA-N 2 2 380.536 3.595 20 0 GHADLP C[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000520380651 854149936 /nfs/dbraw/zinc/14/99/36/854149936.db2.gz FMWCDGAYGXTCSZ-IIBYNOLFSA-N 2 2 385.939 3.506 20 0 GHADLP C[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000520380651 854149939 /nfs/dbraw/zinc/14/99/39/854149939.db2.gz FMWCDGAYGXTCSZ-IIBYNOLFSA-N 2 2 385.939 3.506 20 0 GHADLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(=O)NCc1ccccc1 ZINC000441380660 854166453 /nfs/dbraw/zinc/16/64/53/854166453.db2.gz QVGVRVLBWYVJGB-DHIUTWEWSA-N 2 2 390.531 3.926 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000441392314 854174338 /nfs/dbraw/zinc/17/43/38/854174338.db2.gz COCXUKVBAIQRQJ-OEOAZWSVSA-N 2 2 395.591 3.691 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000441392314 854174347 /nfs/dbraw/zinc/17/43/47/854174347.db2.gz COCXUKVBAIQRQJ-OEOAZWSVSA-N 2 2 395.591 3.691 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000441392314 854174352 /nfs/dbraw/zinc/17/43/52/854174352.db2.gz COCXUKVBAIQRQJ-OEOAZWSVSA-N 2 2 395.591 3.691 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000441392314 854174357 /nfs/dbraw/zinc/17/43/57/854174357.db2.gz COCXUKVBAIQRQJ-OEOAZWSVSA-N 2 2 395.591 3.691 20 0 GHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441406285 854203150 /nfs/dbraw/zinc/20/31/50/854203150.db2.gz XMTLXROCSOVNRC-FYYLOGMGSA-N 2 2 383.580 3.682 20 0 GHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441406285 854203161 /nfs/dbraw/zinc/20/31/61/854203161.db2.gz XMTLXROCSOVNRC-FYYLOGMGSA-N 2 2 383.580 3.682 20 0 GHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441406285 854203168 /nfs/dbraw/zinc/20/31/68/854203168.db2.gz XMTLXROCSOVNRC-FYYLOGMGSA-N 2 2 383.580 3.682 20 0 GHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441406285 854203171 /nfs/dbraw/zinc/20/31/71/854203171.db2.gz XMTLXROCSOVNRC-FYYLOGMGSA-N 2 2 383.580 3.682 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000588689750 854360907 /nfs/dbraw/zinc/36/09/07/854360907.db2.gz QZKOHYFRWLTQNE-IEBWSBKVSA-N 2 2 376.953 3.959 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000588689750 854360912 /nfs/dbraw/zinc/36/09/12/854360912.db2.gz QZKOHYFRWLTQNE-IEBWSBKVSA-N 2 2 376.953 3.959 20 0 GHADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3csc(-c4ccco4)n3)CC2)C[C@@H](C)O1 ZINC000588709399 854368623 /nfs/dbraw/zinc/36/86/23/854368623.db2.gz ARBYRUWRYTXCMB-HZPDHXFCSA-N 2 2 375.538 3.724 20 0 GHADLP Cc1ccc2c(CC[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cn(C)c2c1 ZINC000188695067 854907895 /nfs/dbraw/zinc/90/78/95/854907895.db2.gz BTIWDDYGXMRMQX-CVDCTZTESA-N 2 2 376.548 3.924 20 0 GHADLP Cc1ccc2c(CC[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cn(C)c2c1 ZINC000188695067 854907904 /nfs/dbraw/zinc/90/79/04/854907904.db2.gz BTIWDDYGXMRMQX-CVDCTZTESA-N 2 2 376.548 3.924 20 0 GHADLP Cc1[nH]c(-c2ccc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)cc2)[nH+]c1C ZINC000921653820 855044074 /nfs/dbraw/zinc/04/40/74/855044074.db2.gz HHYMEDBSLHRHBU-LJQANCHMSA-N 2 2 384.549 3.850 20 0 GHADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)c2)C[C@@H](C)O1 ZINC000120911791 855138868 /nfs/dbraw/zinc/13/88/68/855138868.db2.gz QGPMNBBJGWPQCY-JBYIUTFZSA-N 2 2 381.520 3.537 20 0 GHADLP CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000536369584 855155006 /nfs/dbraw/zinc/15/50/06/855155006.db2.gz JMHKGHWGMXFBEJ-FQEVSTJZSA-N 2 2 383.536 3.695 20 0 GHADLP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c2ccccc2)CC1 ZINC000590859552 855633307 /nfs/dbraw/zinc/63/33/07/855633307.db2.gz JYLQXOLBAJUEEP-FGZHOGPDSA-N 2 2 395.551 3.703 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000191933357 855753662 /nfs/dbraw/zinc/75/36/62/855753662.db2.gz XLUWAOYWDVIQPC-HXUWFJFHSA-N 2 2 390.535 3.878 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000191933357 855753669 /nfs/dbraw/zinc/75/36/69/855753669.db2.gz XLUWAOYWDVIQPC-HXUWFJFHSA-N 2 2 390.535 3.878 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCCCCn3cc[nH+]c3)cc2)C1 ZINC000057376119 855871368 /nfs/dbraw/zinc/87/13/68/855871368.db2.gz UOHJYIQVIHGVPR-BGYRXZFFSA-N 2 2 397.567 3.641 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCCCCn3cc[nH+]c3)cc2)C1 ZINC000057376119 855871381 /nfs/dbraw/zinc/87/13/81/855871381.db2.gz UOHJYIQVIHGVPR-BGYRXZFFSA-N 2 2 397.567 3.641 20 0 GHADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000171835373 856281193 /nfs/dbraw/zinc/28/11/93/856281193.db2.gz KLIQHHPPHNKZCJ-IBGZPJMESA-N 2 2 397.567 3.631 20 0 GHADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000171835373 856281199 /nfs/dbraw/zinc/28/11/99/856281199.db2.gz KLIQHHPPHNKZCJ-IBGZPJMESA-N 2 2 397.567 3.631 20 0 GHADLP CC(C)(C)OC(=O)CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCOCC1 ZINC000592130554 856668127 /nfs/dbraw/zinc/66/81/27/856668127.db2.gz SSQNNSXYHVOCKW-UHFFFAOYSA-N 2 2 385.508 3.585 20 0 GHADLP CC(C)(C)OC(=O)CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCOCC1 ZINC000592130554 856668133 /nfs/dbraw/zinc/66/81/33/856668133.db2.gz SSQNNSXYHVOCKW-UHFFFAOYSA-N 2 2 385.508 3.585 20 0 GHADLP CN(C(=O)CCCc1csc2ccccc12)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674800299 856809713 /nfs/dbraw/zinc/80/97/13/856809713.db2.gz ZTRLNFOXDGXBHU-FQEVSTJZSA-N 2 2 399.604 3.851 20 0 GHADLP CN(C(=O)CCCc1csc2ccccc12)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674800299 856809725 /nfs/dbraw/zinc/80/97/25/856809725.db2.gz ZTRLNFOXDGXBHU-FQEVSTJZSA-N 2 2 399.604 3.851 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000245404637 856827364 /nfs/dbraw/zinc/82/73/64/856827364.db2.gz PXHHZDBQMVINTH-DRSNIGMVSA-N 2 2 383.511 3.620 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000665257836 857160949 /nfs/dbraw/zinc/16/09/49/857160949.db2.gz WHQHYHNZTUFPNT-ITEAAPOESA-N 2 2 396.510 3.906 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1C ZINC000057618018 857220927 /nfs/dbraw/zinc/22/09/27/857220927.db2.gz WKLUFNYJTKNLQY-AZUAARDMSA-N 2 2 396.535 3.684 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1C ZINC000057618018 857220939 /nfs/dbraw/zinc/22/09/39/857220939.db2.gz WKLUFNYJTKNLQY-AZUAARDMSA-N 2 2 396.535 3.684 20 0 GHADLP CC[N@H+](Cc1cnc(OC)nc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000499536208 857296469 /nfs/dbraw/zinc/29/64/69/857296469.db2.gz BITBETXONZHINA-UHFFFAOYSA-N 2 2 398.555 3.506 20 0 GHADLP CC[N@@H+](Cc1cnc(OC)nc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000499536208 857296491 /nfs/dbraw/zinc/29/64/91/857296491.db2.gz BITBETXONZHINA-UHFFFAOYSA-N 2 2 398.555 3.506 20 0 GHADLP CC[NH+](CC)CCOc1ccc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000058958829 857380819 /nfs/dbraw/zinc/38/08/19/857380819.db2.gz PRMUXIYAVCJQKF-UHFFFAOYSA-N 2 2 399.535 3.700 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000593293366 857456487 /nfs/dbraw/zinc/45/64/87/857456487.db2.gz UIDDFDAEHIDERP-JTHBVZDNSA-N 2 2 380.536 3.958 20 0 GHADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000593293366 857456495 /nfs/dbraw/zinc/45/64/95/857456495.db2.gz UIDDFDAEHIDERP-JTHBVZDNSA-N 2 2 380.536 3.958 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1Cl ZINC000060580273 857462013 /nfs/dbraw/zinc/46/20/13/857462013.db2.gz SOXBXNLBJBDMJG-NHCUHLMSSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1Cl ZINC000060580273 857462022 /nfs/dbraw/zinc/46/20/22/857462022.db2.gz SOXBXNLBJBDMJG-NHCUHLMSSA-N 2 2 385.939 3.724 20 0 GHADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3[nH]nc4ccccc43)CC2)c1 ZINC000593313954 857469478 /nfs/dbraw/zinc/46/94/78/857469478.db2.gz LCMHKMLLNDTAOD-UHFFFAOYSA-N 2 2 383.927 3.518 20 0 GHADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000675495523 857470555 /nfs/dbraw/zinc/47/05/55/857470555.db2.gz RBTMVBBCNYSSCI-MOPGFXCFSA-N 2 2 380.374 3.612 20 0 GHADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000675495523 857470560 /nfs/dbraw/zinc/47/05/60/857470560.db2.gz RBTMVBBCNYSSCI-MOPGFXCFSA-N 2 2 380.374 3.612 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)ccn12 ZINC000521064596 857552532 /nfs/dbraw/zinc/55/25/32/857552532.db2.gz FMNAEIAJTQSMCG-DEOSSOPVSA-N 2 2 388.515 3.771 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)ccn12 ZINC000521064596 857552542 /nfs/dbraw/zinc/55/25/42/857552542.db2.gz FMNAEIAJTQSMCG-DEOSSOPVSA-N 2 2 388.515 3.771 20 0 GHADLP Cc1cn2cc(NC(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)C[C@@H]3C)ccc2[nH+]1 ZINC000499580770 857574962 /nfs/dbraw/zinc/57/49/62/857574962.db2.gz WGJRRYDKFLZGIZ-ROUUACIJSA-N 2 2 377.492 3.769 20 0 GHADLP Cc1cn2cc(NC(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)C[C@@H]3C)ccc2[nH+]1 ZINC000499580770 857574970 /nfs/dbraw/zinc/57/49/70/857574970.db2.gz WGJRRYDKFLZGIZ-ROUUACIJSA-N 2 2 377.492 3.769 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(OCC(F)F)cc2)cc1F ZINC000656791065 857575614 /nfs/dbraw/zinc/57/56/14/857575614.db2.gz RNTHDLJRDQMNNN-HKUYNNGSSA-N 2 2 394.437 3.714 20 0 GHADLP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000065936686 857879653 /nfs/dbraw/zinc/87/96/53/857879653.db2.gz NGMLBMRTSULWMK-UHFFFAOYSA-N 2 2 396.922 3.789 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@]4(C3)OCc3ccccc34)sc2C1 ZINC000482374369 863005772 /nfs/dbraw/zinc/00/57/72/863005772.db2.gz DCNILNRAPVJRNA-JOCHJYFZSA-N 2 2 383.561 3.931 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@]4(C3)OCc3ccccc34)sc2C1 ZINC000482374369 863005785 /nfs/dbraw/zinc/00/57/85/863005785.db2.gz DCNILNRAPVJRNA-JOCHJYFZSA-N 2 2 383.561 3.931 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@]4(C3)OCc3ccccc34)sc2C1 ZINC000482374369 863005804 /nfs/dbraw/zinc/00/58/04/863005804.db2.gz DCNILNRAPVJRNA-JOCHJYFZSA-N 2 2 383.561 3.931 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@]4(C3)OCc3ccccc34)sc2C1 ZINC000482374369 863005817 /nfs/dbraw/zinc/00/58/17/863005817.db2.gz DCNILNRAPVJRNA-JOCHJYFZSA-N 2 2 383.561 3.931 20 0 GHADLP C[NH+]1CCN([C@H](C[NH2+]Cc2nc(-c3ccccc3)cs2)c2cccs2)CC1 ZINC000521805587 858331053 /nfs/dbraw/zinc/33/10/53/858331053.db2.gz LFJNWLDSDZPKGN-LJQANCHMSA-N 2 2 398.601 3.950 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000521872239 858396918 /nfs/dbraw/zinc/39/69/18/858396918.db2.gz CHGRYPGCPLSRIX-GOSISDBHSA-N 2 2 378.451 3.862 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000521872239 858396926 /nfs/dbraw/zinc/39/69/26/858396926.db2.gz CHGRYPGCPLSRIX-GOSISDBHSA-N 2 2 378.451 3.862 20 0 GHADLP C[NH+]1CCC(CNC(=O)N2CCCC3(CCCCC3)C2)([NH+]2CCCCC2)CC1 ZINC000466151499 858494142 /nfs/dbraw/zinc/49/41/42/858494142.db2.gz ZTLAZCDKFKYWBN-UHFFFAOYSA-N 2 2 390.616 3.693 20 0 GHADLP CNC(=O)[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(F)cc1C ZINC000575123156 858572137 /nfs/dbraw/zinc/57/21/37/858572137.db2.gz ZBBJFMGATRXPGY-YLJYHZDGSA-N 2 2 394.494 3.575 20 0 GHADLP COC(=O)Cc1cc[nH+]c(NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000596123810 858786061 /nfs/dbraw/zinc/78/60/61/858786061.db2.gz QLBFXIXWFBFSQN-UHFFFAOYSA-N 2 2 387.911 3.775 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001170315456 881346151 /nfs/dbraw/zinc/34/61/51/881346151.db2.gz LRINGZILJBDDMQ-QHCPKHFHSA-N 2 2 388.502 3.712 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001170315456 881346171 /nfs/dbraw/zinc/34/61/71/881346171.db2.gz LRINGZILJBDDMQ-QHCPKHFHSA-N 2 2 388.502 3.712 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ncc(C(C)(C)C)s3)C2)ccn1 ZINC000856550331 881365864 /nfs/dbraw/zinc/36/58/64/881365864.db2.gz BXTVNNIIZKGHTN-GOSISDBHSA-N 2 2 388.581 3.941 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ncc(C(C)(C)C)s3)C2)ccn1 ZINC000856550331 881365882 /nfs/dbraw/zinc/36/58/82/881365882.db2.gz BXTVNNIIZKGHTN-GOSISDBHSA-N 2 2 388.581 3.941 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ncc(C(C)(C)C)s3)C2)ccn1 ZINC000856550331 881365900 /nfs/dbraw/zinc/36/59/00/881365900.db2.gz BXTVNNIIZKGHTN-GOSISDBHSA-N 2 2 388.581 3.941 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ncc(C(C)(C)C)s3)C2)ccn1 ZINC000856550331 881365921 /nfs/dbraw/zinc/36/59/21/881365921.db2.gz BXTVNNIIZKGHTN-GOSISDBHSA-N 2 2 388.581 3.941 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3csc(C(C)(C)C)n3)C2)ccn1 ZINC000856552926 881378284 /nfs/dbraw/zinc/37/82/84/881378284.db2.gz IPVMWUSEQPRTTQ-LJQANCHMSA-N 2 2 388.581 3.941 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3csc(C(C)(C)C)n3)C2)ccn1 ZINC000856552926 881378304 /nfs/dbraw/zinc/37/83/04/881378304.db2.gz IPVMWUSEQPRTTQ-LJQANCHMSA-N 2 2 388.581 3.941 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3csc(C(C)(C)C)n3)C2)ccn1 ZINC000856552926 881378323 /nfs/dbraw/zinc/37/83/23/881378323.db2.gz IPVMWUSEQPRTTQ-LJQANCHMSA-N 2 2 388.581 3.941 20 0 GHADLP O=C1[C@H]([NH+]2CCC(CCC[NH+]3CCCC3)CC2)CCN1c1c(F)cccc1F ZINC000443604490 859033405 /nfs/dbraw/zinc/03/34/05/859033405.db2.gz OIPVJUUHSOMCRY-HXUWFJFHSA-N 2 2 391.506 3.658 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)([NH+]2CCCCC2)CC1 ZINC000625856932 859038130 /nfs/dbraw/zinc/03/81/30/859038130.db2.gz STRNZAYWZWFYPU-FGZHOGPDSA-N 2 2 383.580 3.637 20 0 GHADLP O=C(NCc1ccco1)c1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000543250285 859043995 /nfs/dbraw/zinc/04/39/95/859043995.db2.gz BJZQBKUYHDKKGJ-UHFFFAOYSA-N 2 2 392.484 3.747 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3csc(C(C)(C)C)n3)C2)ccn1 ZINC000856552926 881378342 /nfs/dbraw/zinc/37/83/42/881378342.db2.gz IPVMWUSEQPRTTQ-LJQANCHMSA-N 2 2 388.581 3.941 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000185659373 859112992 /nfs/dbraw/zinc/11/29/92/859112992.db2.gz GIXWFBZGLNLKIS-UXHICEINSA-N 2 2 387.549 3.567 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)co2)cc1 ZINC000185673586 859115896 /nfs/dbraw/zinc/11/58/96/859115896.db2.gz GSQOFQJEPRFHGF-QFBILLFUSA-N 2 2 397.519 3.871 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)co2)cc1 ZINC000185673586 859115900 /nfs/dbraw/zinc/11/59/00/859115900.db2.gz GSQOFQJEPRFHGF-QFBILLFUSA-N 2 2 397.519 3.871 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000191492985 859185576 /nfs/dbraw/zinc/18/55/76/859185576.db2.gz LLTRAFFFLUHKTL-UHFFFAOYSA-N 2 2 383.496 3.725 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000191492985 859185586 /nfs/dbraw/zinc/18/55/86/859185586.db2.gz LLTRAFFFLUHKTL-UHFFFAOYSA-N 2 2 383.496 3.725 20 0 GHADLP C[C@@H](c1cccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1)[NH+]1CCOCC1 ZINC000483181887 859193982 /nfs/dbraw/zinc/19/39/82/859193982.db2.gz GYAWVXHGMADANH-AZUAARDMSA-N 2 2 385.552 3.673 20 0 GHADLP C[C@@H](c1cccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1)[NH+]1CCOCC1 ZINC000483181887 859193990 /nfs/dbraw/zinc/19/39/90/859193990.db2.gz GYAWVXHGMADANH-AZUAARDMSA-N 2 2 385.552 3.673 20 0 GHADLP CN(C(=O)c1ccccc1Cc1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477908 859290089 /nfs/dbraw/zinc/29/00/89/859290089.db2.gz KBSFYJCDSAOJSJ-HSZRJFAPSA-N 2 2 391.559 3.518 20 0 GHADLP CN(C(=O)c1ccccc1Cc1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477908 859290099 /nfs/dbraw/zinc/29/00/99/859290099.db2.gz KBSFYJCDSAOJSJ-HSZRJFAPSA-N 2 2 391.559 3.518 20 0 GHADLP Brc1cnc([C@@H]2CCCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000923433812 859310702 /nfs/dbraw/zinc/31/07/02/859310702.db2.gz YLTPLGWIIOXJNV-YQAQFAQXSA-N 2 2 379.346 3.687 20 0 GHADLP Brc1cnc([C@@H]2CCCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000923433812 859310713 /nfs/dbraw/zinc/31/07/13/859310713.db2.gz YLTPLGWIIOXJNV-YQAQFAQXSA-N 2 2 379.346 3.687 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@@H](C[NH2+]C1CC[NH+](Cc3ccncc3)CC1)CCC2 ZINC000597200220 859358359 /nfs/dbraw/zinc/35/83/59/859358359.db2.gz HHWUPBSTJIZPDS-OAQYLSRUSA-N 2 2 393.531 3.542 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1nnn(-c3cccc(Cl)c3)c1C)CCC2 ZINC000483443599 859377868 /nfs/dbraw/zinc/37/78/68/859377868.db2.gz DDDKCTDIFPSSQY-GOEBONIOSA-N 2 2 384.915 3.962 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC000654501651 859419565 /nfs/dbraw/zinc/41/95/65/859419565.db2.gz FGVJFXIGDKEMRT-FSSWDIPSSA-N 2 2 395.551 3.557 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(C)c1 ZINC000654501651 859419572 /nfs/dbraw/zinc/41/95/72/859419572.db2.gz FGVJFXIGDKEMRT-FSSWDIPSSA-N 2 2 395.551 3.557 20 0 GHADLP O=C(c1cccc(C[NH+]2CCCC2)c1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000673472004 859464837 /nfs/dbraw/zinc/46/48/37/859464837.db2.gz YBHQEQYNHSCETR-UHFFFAOYSA-N 2 2 398.576 3.517 20 0 GHADLP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000543394266 859542538 /nfs/dbraw/zinc/54/25/38/859542538.db2.gz JVEWTXSVADDCAP-UHFFFAOYSA-N 3 2 390.535 3.709 20 0 GHADLP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000543394266 859542547 /nfs/dbraw/zinc/54/25/47/859542547.db2.gz JVEWTXSVADDCAP-UHFFFAOYSA-N 3 2 390.535 3.709 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc(C(C)(C)C)co3)C2)ccn1 ZINC000895501668 859602403 /nfs/dbraw/zinc/60/24/03/859602403.db2.gz ZUZINCCPAVOLBT-LJQANCHMSA-N 2 2 386.540 3.861 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc(C(C)(C)C)co3)C2)ccn1 ZINC000895501668 859602411 /nfs/dbraw/zinc/60/24/11/859602411.db2.gz ZUZINCCPAVOLBT-LJQANCHMSA-N 2 2 386.540 3.861 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3nc(C(C)(C)C)co3)C2)ccn1 ZINC000895501668 859602419 /nfs/dbraw/zinc/60/24/19/859602419.db2.gz ZUZINCCPAVOLBT-LJQANCHMSA-N 2 2 386.540 3.861 20 0 GHADLP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccnc(-c4ccccn4)n3)CC[N@@H+]2C2CC2)cc1 ZINC000895609269 859714778 /nfs/dbraw/zinc/71/47/78/859714778.db2.gz JHIXDZHETHPPMM-CVDCTZTESA-N 2 2 385.515 3.996 20 0 GHADLP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccnc(-c4ccccn4)n3)CC[N@H+]2C2CC2)cc1 ZINC000895609269 859714783 /nfs/dbraw/zinc/71/47/83/859714783.db2.gz JHIXDZHETHPPMM-CVDCTZTESA-N 2 2 385.515 3.996 20 0 GHADLP COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000483938949 859718464 /nfs/dbraw/zinc/71/84/64/859718464.db2.gz AFWCEKNZONURNM-UHFFFAOYSA-N 2 2 379.460 3.558 20 0 GHADLP COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000483938949 859718469 /nfs/dbraw/zinc/71/84/69/859718469.db2.gz AFWCEKNZONURNM-UHFFFAOYSA-N 2 2 379.460 3.558 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000191893845 859807025 /nfs/dbraw/zinc/80/70/25/859807025.db2.gz XJGPJSVUKNXGCS-UHFFFAOYSA-N 2 2 388.515 3.709 20 0 GHADLP C[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1ccc(-n2cnnn2)cc1 ZINC000484126931 859817263 /nfs/dbraw/zinc/81/72/63/859817263.db2.gz FLBMCOCBISCOCC-OALUTQOASA-N 2 2 390.535 3.977 20 0 GHADLP CCC(CC)(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000602197517 859860091 /nfs/dbraw/zinc/86/00/91/859860091.db2.gz VFFZAQNWBWRPDO-IBGZPJMESA-N 2 2 391.987 3.683 20 0 GHADLP CCC(CC)(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000602197517 859860102 /nfs/dbraw/zinc/86/01/02/859860102.db2.gz VFFZAQNWBWRPDO-IBGZPJMESA-N 2 2 391.987 3.683 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000765251447 859866822 /nfs/dbraw/zinc/86/68/22/859866822.db2.gz FTIFFUJRFKVBHO-GJZGRUSLSA-N 2 2 382.346 3.630 20 0 GHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765252072 859866881 /nfs/dbraw/zinc/86/68/81/859866881.db2.gz QCUFEZUCSIXNKN-BBRMVZONSA-N 2 2 385.480 3.645 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000765359355 859927995 /nfs/dbraw/zinc/92/79/95/859927995.db2.gz HFAJKKCZIBSYNG-UIAACRFSSA-N 2 2 393.453 3.634 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000765359355 859927998 /nfs/dbraw/zinc/92/79/98/859927998.db2.gz HFAJKKCZIBSYNG-UIAACRFSSA-N 2 2 393.453 3.634 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCC3CC3)n2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168033860 859983779 /nfs/dbraw/zinc/98/37/79/859983779.db2.gz MKEUFJUYCGPKRR-OPMZPASUSA-N 2 2 380.536 3.797 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCC3CC3)n2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033860 859983793 /nfs/dbraw/zinc/98/37/93/859983793.db2.gz MKEUFJUYCGPKRR-OPMZPASUSA-N 2 2 380.536 3.797 20 0 GHADLP C[C@H](c1nnc(SCCC[NH+]2CCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000194966897 860191513 /nfs/dbraw/zinc/19/15/13/860191513.db2.gz SDLIYUFEOGGKNN-OAHLLOKOSA-N 2 2 377.533 3.607 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000602822434 860297296 /nfs/dbraw/zinc/29/72/96/860297296.db2.gz FIWDAKKSFDVZTK-SFHVURJKSA-N 2 2 387.549 3.710 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000602822434 860297304 /nfs/dbraw/zinc/29/73/04/860297304.db2.gz FIWDAKKSFDVZTK-SFHVURJKSA-N 2 2 387.549 3.710 20 0 GHADLP C[C@@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@@H]1CC[NH3+] ZINC000904393841 860390134 /nfs/dbraw/zinc/39/01/34/860390134.db2.gz FVTZTZPIPSSXAD-OXQOHEQNSA-N 2 2 379.508 3.583 20 0 GHADLP Cc1cccnc1N1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168039509 860533900 /nfs/dbraw/zinc/53/39/00/860533900.db2.gz GGOHAWHHMWBGPS-IUTQVRIDSA-N 2 2 378.564 3.954 20 0 GHADLP Cc1cccnc1N1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168039509 860533908 /nfs/dbraw/zinc/53/39/08/860533908.db2.gz GGOHAWHHMWBGPS-IUTQVRIDSA-N 2 2 378.564 3.954 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000532230592 881555793 /nfs/dbraw/zinc/55/57/93/881555793.db2.gz AXHFIXMZMFMBMI-GOEBONIOSA-N 2 2 399.457 3.909 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000532230592 881555805 /nfs/dbraw/zinc/55/58/05/881555805.db2.gz AXHFIXMZMFMBMI-GOEBONIOSA-N 2 2 399.457 3.909 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)cc2)C1 ZINC000673640377 860829984 /nfs/dbraw/zinc/82/99/84/860829984.db2.gz DLWWPFGTBLVDOW-XXBNENTESA-N 2 2 392.547 3.917 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)cc2)C1 ZINC000673640377 860829985 /nfs/dbraw/zinc/82/99/85/860829985.db2.gz DLWWPFGTBLVDOW-XXBNENTESA-N 2 2 392.547 3.917 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)cc2)C1 ZINC000673640377 860829989 /nfs/dbraw/zinc/82/99/89/860829989.db2.gz DLWWPFGTBLVDOW-XXBNENTESA-N 2 2 392.547 3.917 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)cc2)C1 ZINC000673640377 860829992 /nfs/dbraw/zinc/82/99/92/860829992.db2.gz DLWWPFGTBLVDOW-XXBNENTESA-N 2 2 392.547 3.917 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc4c(c3)C=CCCC4)CC2)CC1 ZINC000667858924 860928486 /nfs/dbraw/zinc/92/84/86/860928486.db2.gz AUGDKCQIYLPHTC-UHFFFAOYSA-N 2 2 382.552 3.716 20 0 GHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1(C)C ZINC000623509066 861126863 /nfs/dbraw/zinc/12/68/63/861126863.db2.gz RJKSMVVKSAMDHN-MRXNPFEDSA-N 2 2 377.330 3.597 20 0 GHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1(C)C ZINC000623509066 861126870 /nfs/dbraw/zinc/12/68/70/861126870.db2.gz RJKSMVVKSAMDHN-MRXNPFEDSA-N 2 2 377.330 3.597 20 0 GHADLP COc1ccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCOCC2)cc1F ZINC000444004135 863131210 /nfs/dbraw/zinc/13/12/10/863131210.db2.gz KRPRSRBZDBIGAV-UHFFFAOYSA-N 2 2 381.451 3.816 20 0 GHADLP C[C@H](c1cccc(NC(=O)NCCC[NH2+]C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000605922362 863299150 /nfs/dbraw/zinc/29/91/50/863299150.db2.gz SWFBNINFTPVGAC-GOSISDBHSA-N 2 2 388.556 3.514 20 0 GHADLP Cc1ccc([C@H](Cc2ccccc2)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1C ZINC000482632374 863406927 /nfs/dbraw/zinc/40/69/27/863406927.db2.gz FVQOAEYHCFPLAX-GOTSBHOMSA-N 2 2 379.548 3.517 20 0 GHADLP Cc1ccc([C@H](Cc2ccccc2)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1C ZINC000482632374 863406937 /nfs/dbraw/zinc/40/69/37/863406937.db2.gz FVQOAEYHCFPLAX-GOTSBHOMSA-N 2 2 379.548 3.517 20 0 GHADLP Cc1ccccc1[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000183214752 863508220 /nfs/dbraw/zinc/50/82/20/863508220.db2.gz DFSBLECSRSADBL-DEOSSOPVSA-N 2 2 395.547 3.753 20 0 GHADLP CCCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccccc1 ZINC000621301474 864078685 /nfs/dbraw/zinc/07/86/85/864078685.db2.gz GLKNGAKJWNLYTC-NRFANRHFSA-N 2 2 394.563 3.984 20 0 GHADLP CCCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccccc1 ZINC000621301474 864078697 /nfs/dbraw/zinc/07/86/97/864078697.db2.gz GLKNGAKJWNLYTC-NRFANRHFSA-N 2 2 394.563 3.984 20 0 GHADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCCN(C(C)C)C1=O ZINC000192671561 864451534 /nfs/dbraw/zinc/45/15/34/864451534.db2.gz BEQSRURBRIZSFS-NRFANRHFSA-N 2 2 398.551 3.574 20 0 GHADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCCN(C(C)C)C1=O ZINC000192671561 864451540 /nfs/dbraw/zinc/45/15/40/864451540.db2.gz BEQSRURBRIZSFS-NRFANRHFSA-N 2 2 398.551 3.574 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000842157618 864518779 /nfs/dbraw/zinc/51/87/79/864518779.db2.gz HVXWVMASWCOMKO-GOSISDBHSA-N 2 2 384.568 3.610 20 0 GHADLP C[C@]1(C[NH2+]Cc2ccccc2N2CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000494487359 881783498 /nfs/dbraw/zinc/78/34/98/881783498.db2.gz QPDKGWHGQNTZIH-XMMPIXPASA-N 2 2 379.548 3.668 20 0 GHADLP C[C@]1(C[NH2+]Cc2ccccc2N2CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000494487359 881783503 /nfs/dbraw/zinc/78/35/03/881783503.db2.gz QPDKGWHGQNTZIH-XMMPIXPASA-N 2 2 379.548 3.668 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000608070349 864962138 /nfs/dbraw/zinc/96/21/38/864962138.db2.gz DXDAEHHPMZXHDB-UHFFFAOYSA-N 2 2 395.881 3.983 20 0 GHADLP COc1cc2c(c(C[NH2+][C@H](Cc3[nH+]ccn3C)c3ccccc3)c1)O[C@H](C)C2 ZINC000608074487 864965468 /nfs/dbraw/zinc/96/54/68/864965468.db2.gz SMOUFPBVXWTHOZ-IIBYNOLFSA-N 2 2 377.488 3.826 20 0 GHADLP COc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c(OC)c1OC ZINC000608076240 864966820 /nfs/dbraw/zinc/96/68/20/864966820.db2.gz YSIIVYPUQCIUOF-GOSISDBHSA-N 2 2 381.476 3.520 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000554841340 865030843 /nfs/dbraw/zinc/03/08/43/865030843.db2.gz BRJOIMLIJBGJGW-QHCPKHFHSA-N 2 2 391.559 3.856 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000554841340 865030847 /nfs/dbraw/zinc/03/08/47/865030847.db2.gz BRJOIMLIJBGJGW-QHCPKHFHSA-N 2 2 391.559 3.856 20 0 GHADLP CCc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000554841648 865030964 /nfs/dbraw/zinc/03/09/64/865030964.db2.gz LSCQAMHGUHUHMO-NRFANRHFSA-N 2 2 399.604 3.817 20 0 GHADLP CCc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000554841648 865030970 /nfs/dbraw/zinc/03/09/70/865030970.db2.gz LSCQAMHGUHUHMO-NRFANRHFSA-N 2 2 399.604 3.817 20 0 GHADLP CN(C(=O)C1CCC(c2ccccc2)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608133191 865047967 /nfs/dbraw/zinc/04/79/67/865047967.db2.gz GPNUESKJYSXOBC-BBHUYCHWSA-N 2 2 383.580 3.587 20 0 GHADLP CN(C(=O)C1CCC(c2ccccc2)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608133191 865047970 /nfs/dbraw/zinc/04/79/70/865047970.db2.gz GPNUESKJYSXOBC-BBHUYCHWSA-N 2 2 383.580 3.587 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000667734909 865143268 /nfs/dbraw/zinc/14/32/68/865143268.db2.gz BRPSXPZMEQOVSO-OALUTQOASA-N 2 2 390.890 3.895 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000667734909 865143270 /nfs/dbraw/zinc/14/32/70/865143270.db2.gz BRPSXPZMEQOVSO-OALUTQOASA-N 2 2 390.890 3.895 20 0 GHADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608410688 865343737 /nfs/dbraw/zinc/34/37/37/865343737.db2.gz BZGOTIZFLAXXRL-UYAOXDASSA-N 2 2 397.567 3.514 20 0 GHADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608410688 865343752 /nfs/dbraw/zinc/34/37/52/865343752.db2.gz BZGOTIZFLAXXRL-UYAOXDASSA-N 2 2 397.567 3.514 20 0 GHADLP Cc1ccc(-n2ccn(C[NH+]3CCC(OCC[NH+](C)C)CC3)c2=S)c(C)c1 ZINC000738208785 865501595 /nfs/dbraw/zinc/50/15/95/865501595.db2.gz JKVYFLBCZIINJH-UHFFFAOYSA-N 2 2 388.581 3.625 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1nnnn1C1CCCCC1 ZINC000189482426 881880453 /nfs/dbraw/zinc/88/04/53/881880453.db2.gz FEIHZZDCPYMJQT-GOSISDBHSA-N 2 2 397.571 3.873 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1nnnn1C1CCCCC1 ZINC000189482426 881880475 /nfs/dbraw/zinc/88/04/75/881880475.db2.gz FEIHZZDCPYMJQT-GOSISDBHSA-N 2 2 397.571 3.873 20 0 GHADLP C[NH+]1CCC(CNC(=O)N[C@@H](CC2CC2)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000608714262 865619790 /nfs/dbraw/zinc/61/97/90/865619790.db2.gz MURWFMMKFADMCX-QFIPXVFZSA-N 2 2 398.595 3.777 20 0 GHADLP CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000555172844 865647426 /nfs/dbraw/zinc/64/74/26/865647426.db2.gz WXCZFVLKYQWPFI-UHFFFAOYSA-N 2 2 397.567 3.729 20 0 GHADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000174090388 865877217 /nfs/dbraw/zinc/87/72/17/865877217.db2.gz QTMZTSOBPVOQHN-HXUWFJFHSA-N 2 2 390.531 3.646 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCCC1=CCCCC1 ZINC000481167529 865908304 /nfs/dbraw/zinc/90/83/04/865908304.db2.gz GYROCPAAYCRBQN-QTEQDKRBSA-N 2 2 383.580 3.882 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCCC1=CCCCC1 ZINC000481167529 865908312 /nfs/dbraw/zinc/90/83/12/865908312.db2.gz GYROCPAAYCRBQN-QTEQDKRBSA-N 2 2 383.580 3.882 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(F)c(F)c1 ZINC000481179882 865938448 /nfs/dbraw/zinc/93/84/48/865938448.db2.gz VTHZSLGDFYRDDI-CKJXQJPGSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(F)c(F)c1 ZINC000481179882 865938462 /nfs/dbraw/zinc/93/84/62/865938462.db2.gz VTHZSLGDFYRDDI-CKJXQJPGSA-N 2 2 387.474 3.792 20 0 GHADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000175008195 865963219 /nfs/dbraw/zinc/96/32/19/865963219.db2.gz QZGCFHOXBLDNAH-HOTGVXAUSA-N 2 2 377.330 3.802 20 0 GHADLP COc1cccc2c(NCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)cc[nH+]c12 ZINC000302871627 865964560 /nfs/dbraw/zinc/96/45/60/865964560.db2.gz CAELLTUPDYFSHE-LJQANCHMSA-N 2 2 377.488 3.812 20 0 GHADLP COc1cccc2c(NCc3ccccc3C[N@H+]3CCC[C@@H]3CO)cc[nH+]c12 ZINC000302871627 865964573 /nfs/dbraw/zinc/96/45/73/865964573.db2.gz CAELLTUPDYFSHE-LJQANCHMSA-N 2 2 377.488 3.812 20 0 GHADLP CC(C)Oc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000175152377 865979154 /nfs/dbraw/zinc/97/91/54/865979154.db2.gz SFUSYSUBUHRWNP-UHFFFAOYSA-N 2 2 388.556 3.546 20 0 GHADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000103169663 866018415 /nfs/dbraw/zinc/01/84/15/866018415.db2.gz TZGABQWPNYJBEV-UHFFFAOYSA-N 2 2 394.500 3.692 20 0 GHADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000153202022 866260171 /nfs/dbraw/zinc/26/01/71/866260171.db2.gz QFQJVDWWCKVLNP-QHCPKHFHSA-N 2 2 393.531 3.512 20 0 GHADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000153202022 866260187 /nfs/dbraw/zinc/26/01/87/866260187.db2.gz QFQJVDWWCKVLNP-QHCPKHFHSA-N 2 2 393.531 3.512 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000534315514 866547870 /nfs/dbraw/zinc/54/78/70/866547870.db2.gz KJWFNMTVSWVRNP-ZWCUEREDSA-N 2 2 394.544 3.733 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000534315514 866547884 /nfs/dbraw/zinc/54/78/84/866547884.db2.gz KJWFNMTVSWVRNP-ZWCUEREDSA-N 2 2 394.544 3.733 20 0 GHADLP CN(C(=O)Cc1ccc2c(c1)CCC2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359971 866644023 /nfs/dbraw/zinc/64/40/23/866644023.db2.gz KRWMPRDDSNSBEP-ZEQRLZLVSA-N 2 2 397.607 3.513 20 0 GHADLP CN(C(=O)Cc1ccc2c(c1)CCC2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359971 866644034 /nfs/dbraw/zinc/64/40/34/866644034.db2.gz KRWMPRDDSNSBEP-ZEQRLZLVSA-N 2 2 397.607 3.513 20 0 GHADLP CC[C@H](C)[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444609296 866945284 /nfs/dbraw/zinc/94/52/84/866945284.db2.gz MMQRXQUPTGHYEM-BJKOFHAPSA-N 3 2 392.676 3.771 20 0 GHADLP CC[C@H](C)[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444609296 866945295 /nfs/dbraw/zinc/94/52/95/866945295.db2.gz MMQRXQUPTGHYEM-BJKOFHAPSA-N 3 2 392.676 3.771 20 0 GHADLP CC[C@H](C)[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CCN1CCC[NH+]1CCCCC1 ZINC000444609296 866945306 /nfs/dbraw/zinc/94/53/06/866945306.db2.gz MMQRXQUPTGHYEM-BJKOFHAPSA-N 3 2 392.676 3.771 20 0 GHADLP CC[C@H](C)[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CCN1CCC[NH+]1CCCCC1 ZINC000444609296 866945315 /nfs/dbraw/zinc/94/53/15/866945315.db2.gz MMQRXQUPTGHYEM-BJKOFHAPSA-N 3 2 392.676 3.771 20 0 GHADLP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000523315349 867055962 /nfs/dbraw/zinc/05/59/62/867055962.db2.gz SMQZDNGWWSFVNN-PMACEKPBSA-N 2 2 382.527 3.816 20 0 GHADLP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000523315349 867055975 /nfs/dbraw/zinc/05/59/75/867055975.db2.gz SMQZDNGWWSFVNN-PMACEKPBSA-N 2 2 382.527 3.816 20 0 GHADLP COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000170643330 882043249 /nfs/dbraw/zinc/04/32/49/882043249.db2.gz OLZSZRQOTJYHRK-UHFFFAOYSA-N 2 2 390.487 3.732 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153770930 867068696 /nfs/dbraw/zinc/06/86/96/867068696.db2.gz WAHILBBBLSLBGF-SJLPKXTDSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153770930 867068716 /nfs/dbraw/zinc/06/87/16/867068716.db2.gz WAHILBBBLSLBGF-SJLPKXTDSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153771011 867069147 /nfs/dbraw/zinc/06/91/47/867069147.db2.gz WAHILBBBLSLBGF-WMZOPIPTSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000153771011 867069160 /nfs/dbraw/zinc/06/91/60/867069160.db2.gz WAHILBBBLSLBGF-WMZOPIPTSA-N 2 2 377.960 3.684 20 0 GHADLP COc1ccccc1[C@H](CNC(=O)Nc1ccc2[nH+]c(C)cn2c1)[NH+]1CCCC1 ZINC000523421556 867292269 /nfs/dbraw/zinc/29/22/69/867292269.db2.gz HFSNZPAQCRAKEB-IBGZPJMESA-N 2 2 393.491 3.610 20 0 GHADLP C[C@H](CSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000479216784 867370814 /nfs/dbraw/zinc/37/08/14/867370814.db2.gz OONOZKKFXWRTFK-CQSZACIVSA-N 2 2 379.961 3.559 20 0 GHADLP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000553547236 867632491 /nfs/dbraw/zinc/63/24/91/867632491.db2.gz MNOLWDKAURBZNY-NRFANRHFSA-N 2 2 382.552 3.534 20 0 GHADLP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000553547236 867632497 /nfs/dbraw/zinc/63/24/97/867632497.db2.gz MNOLWDKAURBZNY-NRFANRHFSA-N 2 2 382.552 3.534 20 0 GHADLP COc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1Br ZINC000553576208 867706056 /nfs/dbraw/zinc/70/60/56/867706056.db2.gz YBQHVNGOPPNYGF-UHFFFAOYSA-N 2 2 386.293 3.992 20 0 GHADLP C[C@@H]([NH2+]CCCCn1cc(Br)cn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000479464410 867808871 /nfs/dbraw/zinc/80/88/71/867808871.db2.gz MEBCRJOAOXXQIK-OAHLLOKOSA-N 2 2 388.313 3.962 20 0 GHADLP CCOc1cc(C[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)ccc1OC(F)F ZINC000667498651 867844641 /nfs/dbraw/zinc/84/46/41/867844641.db2.gz QEIIGQMCLRNHGA-UHFFFAOYSA-N 2 2 388.418 3.899 20 0 GHADLP CCOc1cc(C[N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)ccc1OC(F)F ZINC000667498651 867844653 /nfs/dbraw/zinc/84/46/53/867844653.db2.gz QEIIGQMCLRNHGA-UHFFFAOYSA-N 2 2 388.418 3.899 20 0 GHADLP Cc1cc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c(C)c[nH+]1 ZINC000535036597 867957893 /nfs/dbraw/zinc/95/78/93/867957893.db2.gz WTZGPFLPGQSKMT-LJQANCHMSA-N 2 2 377.410 3.513 20 0 GHADLP CCc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097754 868162657 /nfs/dbraw/zinc/16/26/57/868162657.db2.gz XQQOFFLGCPDVIL-ZEQRLZLVSA-N 2 2 399.623 3.977 20 0 GHADLP CCc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097754 868162668 /nfs/dbraw/zinc/16/26/68/868162668.db2.gz XQQOFFLGCPDVIL-ZEQRLZLVSA-N 2 2 399.623 3.977 20 0 GHADLP C[N@H+](C[C@@H](O)COc1ccccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121616476 882183426 /nfs/dbraw/zinc/18/34/26/882183426.db2.gz ASLZHHRMVWZTPY-HXUWFJFHSA-N 2 2 388.939 3.676 20 0 GHADLP C[N@@H+](C[C@@H](O)COc1ccccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121616476 882183438 /nfs/dbraw/zinc/18/34/38/882183438.db2.gz ASLZHHRMVWZTPY-HXUWFJFHSA-N 2 2 388.939 3.676 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1)c1ccccc1Cl ZINC000553964501 868509410 /nfs/dbraw/zinc/50/94/10/868509410.db2.gz HMZRUZPQEJHNAS-NHCUHLMSSA-N 2 2 385.939 3.554 20 0 GHADLP CC[C@H](C)[C@H]([NH2+]CCCn1cc[nH+]c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000539493497 869215267 /nfs/dbraw/zinc/21/52/67/869215267.db2.gz TUKWMGQILXUGQP-REWPJTCUSA-N 2 2 396.579 3.759 20 0 GHADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000766325801 869331752 /nfs/dbraw/zinc/33/17/52/869331752.db2.gz OCFDMVBGIJTMHQ-SKPFHBQLSA-N 2 2 390.531 3.812 20 0 GHADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000462633143 869801703 /nfs/dbraw/zinc/80/17/03/869801703.db2.gz SFFQCVUOFXQHBW-UIFIKXQLSA-N 2 2 383.540 3.531 20 0 GHADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000462633143 869801711 /nfs/dbraw/zinc/80/17/11/869801711.db2.gz SFFQCVUOFXQHBW-UIFIKXQLSA-N 2 2 383.540 3.531 20 0 GHADLP Cc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000539809357 869822833 /nfs/dbraw/zinc/82/28/33/869822833.db2.gz HUPVSRYAXZDZIN-JOCHJYFZSA-N 2 2 397.544 3.754 20 0 GHADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)CC1 ZINC000539824194 869831076 /nfs/dbraw/zinc/83/10/76/869831076.db2.gz CDDNWDPMWXRICR-UHFFFAOYSA-N 2 2 376.614 3.791 20 0 GHADLP Brc1cc2c(c(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c1)OCC2 ZINC000462795458 870098440 /nfs/dbraw/zinc/09/84/40/870098440.db2.gz SQLHHVCNWQCYCU-BEFAXECRSA-N 2 2 391.353 3.833 20 0 GHADLP Brc1cc2c(c(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c1)OCC2 ZINC000462795458 870098447 /nfs/dbraw/zinc/09/84/47/870098447.db2.gz SQLHHVCNWQCYCU-BEFAXECRSA-N 2 2 391.353 3.833 20 0 GHADLP Brc1cc2c(c(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c1)OCC2 ZINC000462795458 870098455 /nfs/dbraw/zinc/09/84/55/870098455.db2.gz SQLHHVCNWQCYCU-BEFAXECRSA-N 2 2 391.353 3.833 20 0 GHADLP Brc1cc2c(c(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c1)OCC2 ZINC000462795458 870098465 /nfs/dbraw/zinc/09/84/65/870098465.db2.gz SQLHHVCNWQCYCU-BEFAXECRSA-N 2 2 391.353 3.833 20 0 GHADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000248040134 870268476 /nfs/dbraw/zinc/26/84/76/870268476.db2.gz SPEHEGYINUTNKH-YKSBVNFPSA-N 3 2 380.580 3.924 20 0 GHADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000248040134 870268498 /nfs/dbraw/zinc/26/84/98/870268498.db2.gz SPEHEGYINUTNKH-YKSBVNFPSA-N 3 2 380.580 3.924 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000248064656 870276722 /nfs/dbraw/zinc/27/67/22/870276722.db2.gz MDKFJLYIGHECQR-RZFNWQHOSA-N 2 2 382.527 3.690 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000248064656 870276742 /nfs/dbraw/zinc/27/67/42/870276742.db2.gz MDKFJLYIGHECQR-RZFNWQHOSA-N 2 2 382.527 3.690 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+]3CC[C@H](C(C)(C)C)C3)n2)CC1 ZINC001192482553 870456034 /nfs/dbraw/zinc/45/60/34/870456034.db2.gz YCZZFTXPULHNRB-INIZCTEOSA-N 2 2 378.586 3.682 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+]3CC[C@H](C(C)(C)C)C3)n2)CC1 ZINC001192482553 870456040 /nfs/dbraw/zinc/45/60/40/870456040.db2.gz YCZZFTXPULHNRB-INIZCTEOSA-N 2 2 378.586 3.682 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000248516356 870469232 /nfs/dbraw/zinc/46/92/32/870469232.db2.gz OUBKFRYDJNPYIP-JYAXBFRTSA-N 2 2 378.582 3.542 20 0 GHADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cc2cccc(F)c2o1 ZINC000475706508 882415192 /nfs/dbraw/zinc/41/51/92/882415192.db2.gz XGHFBYGLUIYEPK-QGZVFWFLSA-N 2 2 395.478 3.567 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CCCS2 ZINC000446835527 870519338 /nfs/dbraw/zinc/51/93/38/870519338.db2.gz OYEXGFHIWLMXHQ-FYYLOGMGSA-N 2 2 398.572 3.849 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CCCS2 ZINC000446835527 870519342 /nfs/dbraw/zinc/51/93/42/870519342.db2.gz OYEXGFHIWLMXHQ-FYYLOGMGSA-N 2 2 398.572 3.849 20 0 GHADLP FC(F)Oc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248781165 870631486 /nfs/dbraw/zinc/63/14/86/870631486.db2.gz XDQASHKUVJIAMW-KBPBESRZSA-N 2 2 375.257 3.767 20 0 GHADLP FC(F)Oc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248781165 870631488 /nfs/dbraw/zinc/63/14/88/870631488.db2.gz XDQASHKUVJIAMW-KBPBESRZSA-N 2 2 375.257 3.767 20 0 GHADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1S(C)(=O)=O ZINC000446908369 870698752 /nfs/dbraw/zinc/69/87/52/870698752.db2.gz MFBINTQKOQMBEB-JXFKEZNVSA-N 2 2 378.582 3.531 20 0 GHADLP CN(C)C(=O)C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000463072740 870836079 /nfs/dbraw/zinc/83/60/79/870836079.db2.gz FSIASSAMPCPGTB-HSZRJFAPSA-N 2 2 379.548 3.503 20 0 GHADLP CC(C)[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000540302665 870948381 /nfs/dbraw/zinc/94/83/81/870948381.db2.gz QWAXDFAWRAOGQO-MOPGFXCFSA-N 2 2 399.501 3.935 20 0 GHADLP CC(C)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000540302665 870948387 /nfs/dbraw/zinc/94/83/87/870948387.db2.gz QWAXDFAWRAOGQO-MOPGFXCFSA-N 2 2 399.501 3.935 20 0 GHADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000461796057 870971599 /nfs/dbraw/zinc/97/15/99/870971599.db2.gz NDFDSRHKWBWQML-DZFGPLHGSA-N 2 2 383.540 3.531 20 0 GHADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000461796057 870971607 /nfs/dbraw/zinc/97/16/07/870971607.db2.gz NDFDSRHKWBWQML-DZFGPLHGSA-N 2 2 383.540 3.531 20 0 GHADLP Cc1ccc(N2CCC[C@@H]([NH+]3CCC(CCCn4cc[nH+]c4)CC3)C2=O)cc1 ZINC001193336464 871028803 /nfs/dbraw/zinc/02/88/03/871028803.db2.gz RTFDEYPBPWQEHH-JOCHJYFZSA-N 2 2 380.536 3.879 20 0 GHADLP C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1nccs1 ZINC000538985120 871053272 /nfs/dbraw/zinc/05/32/72/871053272.db2.gz FFVFIARQKVRJCF-ZDUSSCGKSA-N 2 2 384.471 3.765 20 0 GHADLP CCCN(CC[NH+](CC)CC)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000461880066 871143568 /nfs/dbraw/zinc/14/35/68/871143568.db2.gz FTNCJCJDEUIPAB-LJQANCHMSA-N 2 2 390.572 3.666 20 0 GHADLP CC(C)C[C@@H](Cc1ccccc1)[NH+]1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001169067181 871151939 /nfs/dbraw/zinc/15/19/39/871151939.db2.gz IDUAEZWANGXTKT-QHCPKHFHSA-N 2 2 393.575 3.754 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@H](Cc3ccccc3)CC(C)C)C2)C1 ZINC001169072435 871163431 /nfs/dbraw/zinc/16/34/31/871163431.db2.gz ZXMOQGIOMGENLW-ZEQRLZLVSA-N 2 2 388.596 3.705 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+]([C@H](Cc3ccccc3)CC(C)C)C2)C1 ZINC001169072435 871163438 /nfs/dbraw/zinc/16/34/38/871163438.db2.gz ZXMOQGIOMGENLW-ZEQRLZLVSA-N 2 2 388.596 3.705 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@H](Cc3ccccc3)CC(C)C)C2)C1 ZINC001169072435 871163448 /nfs/dbraw/zinc/16/34/48/871163448.db2.gz ZXMOQGIOMGENLW-ZEQRLZLVSA-N 2 2 388.596 3.705 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+]([C@H](Cc3ccccc3)CC(C)C)C2)C1 ZINC001169072435 871163456 /nfs/dbraw/zinc/16/34/56/871163456.db2.gz ZXMOQGIOMGENLW-ZEQRLZLVSA-N 2 2 388.596 3.705 20 0 GHADLP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+]([C@@H]2C[C@H]4CC[C@@H](C2)[NH+]4C)CC3)c1 ZINC001169138792 871229416 /nfs/dbraw/zinc/22/94/16/871229416.db2.gz JCYMVCYPOQTUGS-KOUNCHBCSA-N 3 2 383.580 3.608 20 0 GHADLP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2C[C@H]4CC[C@@H](C2)[NH+]4C)CC3)c1 ZINC001169138792 871229435 /nfs/dbraw/zinc/22/94/35/871229435.db2.gz JCYMVCYPOQTUGS-KOUNCHBCSA-N 3 2 383.580 3.608 20 0 GHADLP COc1cccc(C[NH+]2CCC3(C2)CC[NH+]([C@@H]2C[C@H]4CC[C@@H](C2)[N@H+]4C)CC3)c1 ZINC001169138792 871229455 /nfs/dbraw/zinc/22/94/55/871229455.db2.gz JCYMVCYPOQTUGS-KOUNCHBCSA-N 3 2 383.580 3.608 20 0 GHADLP COc1cccc(C[NH+]2CCC3(C2)CC[NH+]([C@@H]2C[C@H]4CC[C@@H](C2)[N@@H+]4C)CC3)c1 ZINC001169138792 871229474 /nfs/dbraw/zinc/22/94/74/871229474.db2.gz JCYMVCYPOQTUGS-KOUNCHBCSA-N 3 2 383.580 3.608 20 0 GHADLP Cc1ccc([C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C2CC2)cc1 ZINC000091310586 871272950 /nfs/dbraw/zinc/27/29/50/871272950.db2.gz MSXZFWGDIDPFGT-DEOSSOPVSA-N 2 2 380.532 3.947 20 0 GHADLP COc1ccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](CO)C(C)C)cc1 ZINC000491293437 871317962 /nfs/dbraw/zinc/31/79/62/871317962.db2.gz GEHQCGSRCDNFGF-HSZRJFAPSA-N 2 2 379.504 3.900 20 0 GHADLP COc1ccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](CO)C(C)C)cc1 ZINC000491293437 871317983 /nfs/dbraw/zinc/31/79/83/871317983.db2.gz GEHQCGSRCDNFGF-HSZRJFAPSA-N 2 2 379.504 3.900 20 0 GHADLP CC[C@H](C)[C@H]([NH2+]C1CC[NH+](CC)CC1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001169241018 871339705 /nfs/dbraw/zinc/33/97/05/871339705.db2.gz OYODADGQWPDJAW-NYHFZMIOSA-N 2 2 399.535 3.529 20 0 GHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3csc(C(C)(C)C)n3)CC2)C[C@H](C)O1 ZINC000539145636 871372405 /nfs/dbraw/zinc/37/24/05/871372405.db2.gz KYNOXMGONGQVLR-IRXDYDNUSA-N 2 2 395.613 3.531 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000618174229 871380478 /nfs/dbraw/zinc/38/04/78/871380478.db2.gz ROSBRBVHHKKGPO-MRXNPFEDSA-N 2 2 376.932 3.612 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000618174229 871380499 /nfs/dbraw/zinc/38/04/99/871380499.db2.gz ROSBRBVHHKKGPO-MRXNPFEDSA-N 2 2 376.932 3.612 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000463304148 871392881 /nfs/dbraw/zinc/39/28/81/871392881.db2.gz JGLICEHJXYOGRA-RBUKOAKNSA-N 2 2 392.613 3.504 20 0 GHADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000463304148 871392900 /nfs/dbraw/zinc/39/29/00/871392900.db2.gz JGLICEHJXYOGRA-RBUKOAKNSA-N 2 2 392.613 3.504 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)c(C)c1 ZINC000540507168 871443761 /nfs/dbraw/zinc/44/37/61/871443761.db2.gz YKTTUIHACSVYOL-KNQAVFIVSA-N 2 2 397.544 3.693 20 0 GHADLP CO[C@]1(C)CCC[N@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001194073938 871472926 /nfs/dbraw/zinc/47/29/26/871472926.db2.gz MLTHODWCAVBOPZ-OAQYLSRUSA-N 2 2 379.976 3.743 20 0 GHADLP CO[C@]1(C)CCC[N@@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001194073938 871472928 /nfs/dbraw/zinc/47/29/28/871472928.db2.gz MLTHODWCAVBOPZ-OAQYLSRUSA-N 2 2 379.976 3.743 20 0 GHADLP CC[C@@H](C[N@@H+](CC)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC001169483882 871534426 /nfs/dbraw/zinc/53/44/26/871534426.db2.gz YEBUMWQRHMULHY-SFTDATJTSA-N 2 2 394.563 3.634 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C(C)C ZINC000462206617 871808917 /nfs/dbraw/zinc/80/89/17/871808917.db2.gz CGMFFQZOXZOJFF-SFHVURJKSA-N 2 2 380.602 3.645 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C2 ZINC000525997791 871840626 /nfs/dbraw/zinc/84/06/26/871840626.db2.gz NCHBDCKMKSJKBC-VQTJNVASSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C2 ZINC000525997791 871840645 /nfs/dbraw/zinc/84/06/45/871840645.db2.gz NCHBDCKMKSJKBC-VQTJNVASSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)CC2 ZINC000525997791 871840668 /nfs/dbraw/zinc/84/06/68/871840668.db2.gz NCHBDCKMKSJKBC-VQTJNVASSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)CC2 ZINC000525997791 871840688 /nfs/dbraw/zinc/84/06/88/871840688.db2.gz NCHBDCKMKSJKBC-VQTJNVASSA-N 2 2 394.563 3.809 20 0 GHADLP FC(F)(F)c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC4(C3)OCCO4)CC2)cc1 ZINC001169906782 872000154 /nfs/dbraw/zinc/00/01/54/872000154.db2.gz WRUZWAIFKCPOQS-LJQANCHMSA-N 2 2 398.469 3.945 20 0 GHADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2CCCC4(C2)OCCO4)CC3)cs1 ZINC001169945607 872045907 /nfs/dbraw/zinc/04/59/07/872045907.db2.gz LDBQYAYEOYFCDJ-LJQANCHMSA-N 2 2 391.581 3.568 20 0 GHADLP Cc1nc(C[N@H+]2CCCC23CC[NH+]([C@@H]2CCCC4(C2)OCCO4)CC3)cs1 ZINC001169945607 872045931 /nfs/dbraw/zinc/04/59/31/872045931.db2.gz LDBQYAYEOYFCDJ-LJQANCHMSA-N 2 2 391.581 3.568 20 0 GHADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cnc(C(F)(F)F)s3)CC2)C[C@@H](C)O1 ZINC000447727629 872168910 /nfs/dbraw/zinc/16/89/10/872168910.db2.gz JRYFUEWMIMPUOZ-ZIAGYGMSSA-N 2 2 391.503 3.873 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(OCc2cccnc2)c1 ZINC000447733230 872219063 /nfs/dbraw/zinc/21/90/63/872219063.db2.gz XGLNSEMGDRYMJF-NRFANRHFSA-N 2 2 395.547 3.977 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(OCc2cccnc2)c1 ZINC000447733230 872219080 /nfs/dbraw/zinc/21/90/80/872219080.db2.gz XGLNSEMGDRYMJF-NRFANRHFSA-N 2 2 395.547 3.977 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001170443417 882590888 /nfs/dbraw/zinc/59/08/88/882590888.db2.gz OQUHESDMXDUTQH-BHIFYINESA-N 2 2 393.531 3.585 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001170443417 882590898 /nfs/dbraw/zinc/59/08/98/882590898.db2.gz OQUHESDMXDUTQH-BHIFYINESA-N 2 2 393.531 3.585 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001170443417 882590908 /nfs/dbraw/zinc/59/09/08/882590908.db2.gz OQUHESDMXDUTQH-BHIFYINESA-N 2 2 393.531 3.585 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001170443417 882590914 /nfs/dbraw/zinc/59/09/14/882590914.db2.gz OQUHESDMXDUTQH-BHIFYINESA-N 2 2 393.531 3.585 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000526975581 872390932 /nfs/dbraw/zinc/39/09/32/872390932.db2.gz WKPCTWSZOYBQHE-FQEVSTJZSA-N 2 2 398.457 3.576 20 0 GHADLP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000552336568 872492452 /nfs/dbraw/zinc/49/24/52/872492452.db2.gz FOECMIUKTDLFFN-NXEWRWPSSA-N 2 2 377.960 3.854 20 0 GHADLP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000552336568 872492459 /nfs/dbraw/zinc/49/24/59/872492459.db2.gz FOECMIUKTDLFFN-NXEWRWPSSA-N 2 2 377.960 3.854 20 0 GHADLP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000552336569 872493054 /nfs/dbraw/zinc/49/30/54/872493054.db2.gz FOECMIUKTDLFFN-RAFMOHDBSA-N 2 2 377.960 3.854 20 0 GHADLP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000552336569 872493060 /nfs/dbraw/zinc/49/30/60/872493060.db2.gz FOECMIUKTDLFFN-RAFMOHDBSA-N 2 2 377.960 3.854 20 0 GHADLP Cc1ccc(NC(=O)C[NH+](C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001195647659 872532166 /nfs/dbraw/zinc/53/21/66/872532166.db2.gz BINXSFBIKVLTHX-BGYRXZFFSA-N 2 2 395.547 3.675 20 0 GHADLP Cc1ccc(NC(=O)C[NH+](C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001195647659 872532178 /nfs/dbraw/zinc/53/21/78/872532178.db2.gz BINXSFBIKVLTHX-BGYRXZFFSA-N 2 2 395.547 3.675 20 0 GHADLP Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001195647659 872532198 /nfs/dbraw/zinc/53/21/98/872532198.db2.gz BINXSFBIKVLTHX-BGYRXZFFSA-N 2 2 395.547 3.675 20 0 GHADLP Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001195647659 872532214 /nfs/dbraw/zinc/53/22/14/872532214.db2.gz BINXSFBIKVLTHX-BGYRXZFFSA-N 2 2 395.547 3.675 20 0 GHADLP CCOC(C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OCC ZINC000767805407 872863932 /nfs/dbraw/zinc/86/39/32/872863932.db2.gz QVYXVQFPBPFQSC-UHFFFAOYSA-N 2 2 378.561 3.598 20 0 GHADLP CCOC(C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OCC ZINC000767805407 872863938 /nfs/dbraw/zinc/86/39/38/872863938.db2.gz QVYXVQFPBPFQSC-UHFFFAOYSA-N 2 2 378.561 3.598 20 0 GHADLP C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000768104358 873082398 /nfs/dbraw/zinc/08/23/98/873082398.db2.gz CFWDFBQFXLRNQQ-ZSMUJPCHSA-N 2 2 396.362 3.681 20 0 GHADLP C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000768104358 873082411 /nfs/dbraw/zinc/08/24/11/873082411.db2.gz CFWDFBQFXLRNQQ-ZSMUJPCHSA-N 2 2 396.362 3.681 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000153091311 873185736 /nfs/dbraw/zinc/18/57/36/873185736.db2.gz QPOPJVZZTMSLQM-UHFFFAOYSA-N 2 2 376.504 3.572 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000153091311 873185742 /nfs/dbraw/zinc/18/57/42/873185742.db2.gz QPOPJVZZTMSLQM-UHFFFAOYSA-N 2 2 376.504 3.572 20 0 GHADLP Cc1ccc(F)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1F ZINC000541250668 873242038 /nfs/dbraw/zinc/24/20/38/873242038.db2.gz CWUVNYJMUSKPCF-MOPGFXCFSA-N 2 2 393.522 3.682 20 0 GHADLP Cc1ccc(F)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1F ZINC000541250668 873242047 /nfs/dbraw/zinc/24/20/47/873242047.db2.gz CWUVNYJMUSKPCF-MOPGFXCFSA-N 2 2 393.522 3.682 20 0 GHADLP CC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc(C)ccc1C ZINC000527727934 873504041 /nfs/dbraw/zinc/50/40/41/873504041.db2.gz SGNILOWIQIPMDM-JOCHJYFZSA-N 2 2 386.584 3.612 20 0 GHADLP Fc1ccc([C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2cnccn2)cc1 ZINC000541549419 873846647 /nfs/dbraw/zinc/84/66/47/873846647.db2.gz HZDSJQIMLLYZKG-QHCPKHFHSA-N 2 2 387.462 3.782 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000921244562 882767789 /nfs/dbraw/zinc/76/77/89/882767789.db2.gz JAEKWRFTBPEMPU-UHFFFAOYSA-N 2 2 395.551 3.670 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000921244562 882767802 /nfs/dbraw/zinc/76/78/02/882767802.db2.gz JAEKWRFTBPEMPU-UHFFFAOYSA-N 2 2 395.551 3.670 20 0 GHADLP Cc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)c1Cl ZINC000448834090 874040581 /nfs/dbraw/zinc/04/05/81/874040581.db2.gz ICZIFUYPVOZQQN-UHFFFAOYSA-N 2 2 384.351 3.590 20 0 GHADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1nc2cc(Br)ccc2o1 ZINC001197928907 874116032 /nfs/dbraw/zinc/11/60/32/874116032.db2.gz ABMZUDYKOVSMFY-CYBMUJFWSA-N 2 2 387.281 3.696 20 0 GHADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1nc2cc(Br)ccc2o1 ZINC001197928907 874116035 /nfs/dbraw/zinc/11/60/35/874116035.db2.gz ABMZUDYKOVSMFY-CYBMUJFWSA-N 2 2 387.281 3.696 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NCc2sccc2Cl)cc1 ZINC001198036005 874192514 /nfs/dbraw/zinc/19/25/14/874192514.db2.gz HNRFNMBJHQUZKV-UHFFFAOYSA-N 2 2 379.957 3.715 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NCc2sccc2Cl)cc1 ZINC001198036005 874192522 /nfs/dbraw/zinc/19/25/22/874192522.db2.gz HNRFNMBJHQUZKV-UHFFFAOYSA-N 2 2 379.957 3.715 20 0 GHADLP COc1ccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)c(OC)c1OC ZINC000449092005 874492701 /nfs/dbraw/zinc/49/27/01/874492701.db2.gz SHXXPNXKXUGKOX-GOSISDBHSA-N 2 2 398.547 3.898 20 0 GHADLP CSC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000541913268 874513452 /nfs/dbraw/zinc/51/34/52/874513452.db2.gz DNSCQSIQVXYFTE-ROUUACIJSA-N 2 2 390.515 3.792 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000449159893 874557476 /nfs/dbraw/zinc/55/74/76/874557476.db2.gz JMRGPPIHXZKONJ-IBGZPJMESA-N 3 2 379.633 3.756 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843461 874619113 /nfs/dbraw/zinc/61/91/13/874619113.db2.gz VCVAMDRXZGEOLK-FYYLOGMGSA-N 2 2 393.575 3.796 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843461 874619122 /nfs/dbraw/zinc/61/91/22/874619122.db2.gz VCVAMDRXZGEOLK-FYYLOGMGSA-N 2 2 393.575 3.796 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843461 874619131 /nfs/dbraw/zinc/61/91/31/874619131.db2.gz VCVAMDRXZGEOLK-FYYLOGMGSA-N 2 2 393.575 3.796 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843461 874619139 /nfs/dbraw/zinc/61/91/39/874619139.db2.gz VCVAMDRXZGEOLK-FYYLOGMGSA-N 2 2 393.575 3.796 20 0 GHADLP CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845431 874625743 /nfs/dbraw/zinc/62/57/43/874625743.db2.gz FTKXWWLNQZVLGH-DEOSSOPVSA-N 2 2 393.575 3.878 20 0 GHADLP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845431 874625748 /nfs/dbraw/zinc/62/57/48/874625748.db2.gz FTKXWWLNQZVLGH-DEOSSOPVSA-N 2 2 393.575 3.878 20 0 GHADLP CC(C)N(Cc1ccccc1)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845431 874625753 /nfs/dbraw/zinc/62/57/53/874625753.db2.gz FTKXWWLNQZVLGH-DEOSSOPVSA-N 2 2 393.575 3.878 20 0 GHADLP CC(C)N(Cc1ccccc1)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845431 874625755 /nfs/dbraw/zinc/62/57/55/874625755.db2.gz FTKXWWLNQZVLGH-DEOSSOPVSA-N 2 2 393.575 3.878 20 0 GHADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(Cl)sc3Cl)CC2)CC1 ZINC000449240603 874644507 /nfs/dbraw/zinc/64/45/07/874644507.db2.gz ZTBAWKINSXWQIM-UHFFFAOYSA-N 2 2 376.397 3.904 20 0 GHADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000464866739 874644768 /nfs/dbraw/zinc/64/47/68/874644768.db2.gz GGEVRZYRJHDKCS-LJQANCHMSA-N 2 2 397.485 3.833 20 0 GHADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000464866739 874644780 /nfs/dbraw/zinc/64/47/80/874644780.db2.gz GGEVRZYRJHDKCS-LJQANCHMSA-N 2 2 397.485 3.833 20 0 GHADLP COc1ccc([C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C2CC2)cc1 ZINC001199109676 874823129 /nfs/dbraw/zinc/82/31/29/874823129.db2.gz IMLSAXGCYFGTOX-DEOSSOPVSA-N 2 2 396.531 3.647 20 0 GHADLP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000303023064 874840059 /nfs/dbraw/zinc/84/00/59/874840059.db2.gz NHCYFPXIWHCRQV-HSZRJFAPSA-N 2 2 385.596 3.868 20 0 GHADLP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000303023064 874840067 /nfs/dbraw/zinc/84/00/67/874840067.db2.gz NHCYFPXIWHCRQV-HSZRJFAPSA-N 2 2 385.596 3.868 20 0 GHADLP COc1cccc2c1CCC[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC001199392075 874938765 /nfs/dbraw/zinc/93/87/65/874938765.db2.gz NIGFSLLGSHMFMX-JOCHJYFZSA-N 2 2 380.532 3.565 20 0 GHADLP CC(C)Cc1ccc([C@@H](C)NC(=O)c2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC001199360582 874944076 /nfs/dbraw/zinc/94/40/76/874944076.db2.gz PDQTZOGJKHPLIO-GOSISDBHSA-N 2 2 380.536 3.523 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc(Br)c2F)cn1 ZINC001199472344 874994147 /nfs/dbraw/zinc/99/41/47/874994147.db2.gz KOLKCBCQNGYRMY-UHFFFAOYSA-N 2 2 375.245 3.767 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CS[C@@H](C(C)C)C3)CC2)cc1 ZINC000449522335 874996633 /nfs/dbraw/zinc/99/66/33/874996633.db2.gz JDFHXSXKJUPXGV-NHCUHLMSSA-N 2 2 375.582 3.729 20 0 GHADLP C[C@H]1CC(F)(F)CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000528764993 875027455 /nfs/dbraw/zinc/02/74/55/875027455.db2.gz DWYWZPQNOZSMFE-YJBOKZPZSA-N 2 2 399.913 3.713 20 0 GHADLP C[C@H]1CC(F)(F)CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000528764993 875027467 /nfs/dbraw/zinc/02/74/67/875027467.db2.gz DWYWZPQNOZSMFE-YJBOKZPZSA-N 2 2 399.913 3.713 20 0 GHADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000528875831 875198508 /nfs/dbraw/zinc/19/85/08/875198508.db2.gz LRDUFFUUHPYCHY-SFHVURJKSA-N 2 2 391.585 3.658 20 0 GHADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000528875831 875198514 /nfs/dbraw/zinc/19/85/14/875198514.db2.gz LRDUFFUUHPYCHY-SFHVURJKSA-N 2 2 391.585 3.658 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cccnc2Cl)CC1 ZINC000105464663 875300744 /nfs/dbraw/zinc/30/07/44/875300744.db2.gz GGHXYVJADGHWHZ-HNNXBMFYSA-N 2 2 376.907 3.867 20 0 GHADLP Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001200961519 875413734 /nfs/dbraw/zinc/41/37/34/875413734.db2.gz XSSCVPKLWOLKCP-FQEVSTJZSA-N 2 2 385.895 3.747 20 0 GHADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)CCO1 ZINC001201676200 875809497 /nfs/dbraw/zinc/80/94/97/875809497.db2.gz NPIFETKAFSFIQH-PXNSSMCTSA-N 2 2 377.916 3.909 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)([NH+]2CCCCC2)CC1 ZINC000172750104 875898550 /nfs/dbraw/zinc/89/85/50/875898550.db2.gz BKYGPFKLMSMWNM-MOPGFXCFSA-N 2 2 389.971 3.510 20 0 GHADLP CC(C)[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000172754600 875901829 /nfs/dbraw/zinc/90/18/29/875901829.db2.gz VBXZHQUCPIOPEK-JOCHJYFZSA-N 2 2 385.596 3.883 20 0 GHADLP Cc1ccc(CCCCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460493199 883023009 /nfs/dbraw/zinc/02/30/09/883023009.db2.gz RDQBMBJXCZZTTA-UHFFFAOYSA-N 2 2 385.596 3.774 20 0 GHADLP CC[N@@H+](Cc1cnn(CC(F)(F)F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537660282 883056092 /nfs/dbraw/zinc/05/60/92/883056092.db2.gz AZSGUKHKGCKELW-SFHVURJKSA-N 2 2 380.458 3.789 20 0 GHADLP CC[N@H+](Cc1cnn(CC(F)(F)F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537660282 883056110 /nfs/dbraw/zinc/05/61/10/883056110.db2.gz AZSGUKHKGCKELW-SFHVURJKSA-N 2 2 380.458 3.789 20 0 GHADLP CC[NH+](Cc1cnn(CC(F)(F)F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537660282 883056128 /nfs/dbraw/zinc/05/61/28/883056128.db2.gz AZSGUKHKGCKELW-SFHVURJKSA-N 2 2 380.458 3.789 20 0 GHADLP CC[NH+](Cc1cnn(CC(F)(F)F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537660282 883056147 /nfs/dbraw/zinc/05/61/47/883056147.db2.gz AZSGUKHKGCKELW-SFHVURJKSA-N 2 2 380.458 3.789 20 0 GHADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000786581744 876769994 /nfs/dbraw/zinc/76/99/94/876769994.db2.gz VPWXHYSDNXZOHG-HNAYVOBHSA-N 2 2 381.358 3.991 20 0 GHADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000786581744 876770006 /nfs/dbraw/zinc/77/00/06/876770006.db2.gz VPWXHYSDNXZOHG-HNAYVOBHSA-N 2 2 381.358 3.991 20 0 GHADLP CCN(CC)C(=O)[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193069909 883084576 /nfs/dbraw/zinc/08/45/76/883084576.db2.gz UNEZMICCGCIVEM-JTHBVZDNSA-N 2 2 379.548 3.708 20 0 GHADLP CCN(CC)C(=O)[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193069909 883084594 /nfs/dbraw/zinc/08/45/94/883084594.db2.gz UNEZMICCGCIVEM-JTHBVZDNSA-N 2 2 379.548 3.708 20 0 GHADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000530029851 876992327 /nfs/dbraw/zinc/99/23/27/876992327.db2.gz XEASSBFPAFIOJC-UYAOXDASSA-N 2 2 384.568 3.626 20 0 GHADLP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000530029851 876992339 /nfs/dbraw/zinc/99/23/39/876992339.db2.gz XEASSBFPAFIOJC-UYAOXDASSA-N 2 2 384.568 3.626 20 0 GHADLP CC[N@@H+](Cc1cc(F)cc2c1OCOC2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394314 877006013 /nfs/dbraw/zinc/00/60/13/877006013.db2.gz GSIPXQAZRZCQAV-UHFFFAOYSA-N 2 2 385.483 3.826 20 0 GHADLP CC[N@H+](Cc1cc(F)cc2c1OCOC2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394314 877006029 /nfs/dbraw/zinc/00/60/29/877006029.db2.gz GSIPXQAZRZCQAV-UHFFFAOYSA-N 2 2 385.483 3.826 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C[N@H+](Cc2ccccc2)C1 ZINC000136436377 877207910 /nfs/dbraw/zinc/20/79/10/877207910.db2.gz GNXBUBSNRARXNE-HYBUGGRVSA-N 2 2 391.559 3.809 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C[N@@H+](Cc2ccccc2)C1 ZINC000136436377 877207932 /nfs/dbraw/zinc/20/79/32/877207932.db2.gz GNXBUBSNRARXNE-HYBUGGRVSA-N 2 2 391.559 3.809 20 0 GHADLP Oc1cccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000315369028 877244344 /nfs/dbraw/zinc/24/43/44/877244344.db2.gz BRHYUZRAOXWRJQ-MRXNPFEDSA-N 2 2 375.310 3.766 20 0 GHADLP Oc1cccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1Br ZINC000315369028 877244362 /nfs/dbraw/zinc/24/43/62/877244362.db2.gz BRHYUZRAOXWRJQ-MRXNPFEDSA-N 2 2 375.310 3.766 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000174781759 877244498 /nfs/dbraw/zinc/24/44/98/877244498.db2.gz GVAPORCHGLTVHM-RDTXWAMCSA-N 2 2 386.367 3.614 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000174781759 877244517 /nfs/dbraw/zinc/24/45/17/877244517.db2.gz GVAPORCHGLTVHM-RDTXWAMCSA-N 2 2 386.367 3.614 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000174781759 877244536 /nfs/dbraw/zinc/24/45/36/877244536.db2.gz GVAPORCHGLTVHM-RDTXWAMCSA-N 2 2 386.367 3.614 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000174781759 877244551 /nfs/dbraw/zinc/24/45/51/877244551.db2.gz GVAPORCHGLTVHM-RDTXWAMCSA-N 2 2 386.367 3.614 20 0 GHADLP Clc1sc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000530249092 877330547 /nfs/dbraw/zinc/33/05/47/877330547.db2.gz UEFAECYOTGJIQL-GFCCVEGCSA-N 2 2 393.778 3.755 20 0 GHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)CCCn3cc[nH+]c3)cc2)C1 ZINC000137241640 877523807 /nfs/dbraw/zinc/52/38/07/877523807.db2.gz LCPLDEVFYPJJDW-PMACEKPBSA-N 2 2 397.567 3.593 20 0 GHADLP Cc1nc(C(C)C)oc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000551748050 877771281 /nfs/dbraw/zinc/77/12/81/877771281.db2.gz RHYXUFBOMJXXND-OALUTQOASA-N 2 2 390.572 3.516 20 0 GHADLP Cc1nc(C(C)C)oc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000551748050 877771292 /nfs/dbraw/zinc/77/12/92/877771292.db2.gz RHYXUFBOMJXXND-OALUTQOASA-N 2 2 390.572 3.516 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245442195 877887334 /nfs/dbraw/zinc/88/73/34/877887334.db2.gz HVUPTYQZCUTGGB-MSOLQXFVSA-N 2 2 377.960 3.667 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245442195 877887347 /nfs/dbraw/zinc/88/73/47/877887347.db2.gz HVUPTYQZCUTGGB-MSOLQXFVSA-N 2 2 377.960 3.667 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CCOCC1)c1ccccc1 ZINC000245549111 878093087 /nfs/dbraw/zinc/09/30/87/878093087.db2.gz GCFJYSJAMJHQPT-PDGJWGCVSA-N 2 2 384.564 3.824 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@H](C)c3ccccc3Cl)C2)CC1 ZINC000451534775 878153897 /nfs/dbraw/zinc/15/38/97/878153897.db2.gz NPRIYDWWISSQEJ-MJGOQNOKSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@H](C)c3ccccc3Cl)C2)CC1 ZINC000451534775 878153904 /nfs/dbraw/zinc/15/39/04/878153904.db2.gz NPRIYDWWISSQEJ-MJGOQNOKSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@H](C)c3ccccc3Cl)C2)CC1 ZINC000451534775 878153912 /nfs/dbraw/zinc/15/39/12/878153912.db2.gz NPRIYDWWISSQEJ-MJGOQNOKSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@H](C)c3ccccc3Cl)C2)CC1 ZINC000451534775 878153920 /nfs/dbraw/zinc/15/39/20/878153920.db2.gz NPRIYDWWISSQEJ-MJGOQNOKSA-N 2 2 377.960 3.667 20 0 GHADLP CN(C(=O)c1cc(F)c(F)c(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245631147 878247560 /nfs/dbraw/zinc/24/75/60/878247560.db2.gz DMTLYZOHDWLFDN-RTBURBONSA-N 2 2 397.485 3.513 20 0 GHADLP CN(C(=O)c1cc(F)c(F)c(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245631147 878247575 /nfs/dbraw/zinc/24/75/75/878247575.db2.gz DMTLYZOHDWLFDN-RTBURBONSA-N 2 2 397.485 3.513 20 0 GHADLP CN(C(=O)c1ccc(Cl)s1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245682114 878368110 /nfs/dbraw/zinc/36/81/10/878368110.db2.gz HQMGMSDKQVUJGY-JKSUJKDBSA-N 2 2 383.989 3.811 20 0 GHADLP CN(C(=O)c1ccc(Cl)s1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245682114 878368124 /nfs/dbraw/zinc/36/81/24/878368124.db2.gz HQMGMSDKQVUJGY-JKSUJKDBSA-N 2 2 383.989 3.811 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@@H]3Cc3ccccn3)C2)cc1 ZINC000852563453 878425629 /nfs/dbraw/zinc/42/56/29/878425629.db2.gz APQLABATFYSULN-JRFVFWCSSA-N 2 2 379.548 3.674 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@@H]3Cc3ccccn3)C2)cc1 ZINC000852563453 878425636 /nfs/dbraw/zinc/42/56/36/878425636.db2.gz APQLABATFYSULN-JRFVFWCSSA-N 2 2 379.548 3.674 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000245749728 878538702 /nfs/dbraw/zinc/53/87/02/878538702.db2.gz YOGIGQXRMBWQJX-SCTDSRPQSA-N 2 2 384.549 3.684 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000245749728 878538710 /nfs/dbraw/zinc/53/87/10/878538710.db2.gz YOGIGQXRMBWQJX-SCTDSRPQSA-N 2 2 384.549 3.684 20 0 GHADLP Cc1nn(Cc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1[C@H]1COCC[N@H+]1C ZINC000852964749 878675343 /nfs/dbraw/zinc/67/53/43/878675343.db2.gz XMBGBQFIBPIDPX-JOCHJYFZSA-N 2 2 382.552 3.537 20 0 GHADLP Cc1nn(Cc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1[C@H]1COCC[N@@H+]1C ZINC000852964749 878675352 /nfs/dbraw/zinc/67/53/52/878675352.db2.gz XMBGBQFIBPIDPX-JOCHJYFZSA-N 2 2 382.552 3.537 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cnccc3C(F)(F)F)CC2)cc1 ZINC000853095621 878812375 /nfs/dbraw/zinc/81/23/75/878812375.db2.gz QTXWVMISZJEDAS-UHFFFAOYSA-N 2 2 378.442 3.925 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)C2=O)cc1 ZINC000789353324 878841831 /nfs/dbraw/zinc/84/18/31/878841831.db2.gz ROJCOQQRIFOXBR-NRFANRHFSA-N 2 2 378.520 3.513 20 0 GHADLP CCOc1cccc2cc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)oc21 ZINC000285808537 912450833 /nfs/dbraw/zinc/45/08/33/912450833.db2.gz WHFIBNLEGNKFLB-UXDRXVOSSA-N 2 2 399.535 3.566 20 0 GHADLP CCOc1cccc2cc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)oc21 ZINC000285808537 912450845 /nfs/dbraw/zinc/45/08/45/912450845.db2.gz WHFIBNLEGNKFLB-UXDRXVOSSA-N 2 2 399.535 3.566 20 0 GHADLP Cc1cc(Br)cn2c(CN3CC[C@@H](C[NH+]4CCCCC4)C3)c[nH+]c12 ZINC000542467263 879397840 /nfs/dbraw/zinc/39/78/40/879397840.db2.gz YJEVGYHOZQJQPD-INIZCTEOSA-N 2 2 391.357 3.713 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246450091 879574319 /nfs/dbraw/zinc/57/43/19/879574319.db2.gz DTOYKQXLKQLKFB-BLIXFSHQSA-N 2 2 389.971 3.808 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246450091 879574329 /nfs/dbraw/zinc/57/43/29/879574329.db2.gz DTOYKQXLKQLKFB-BLIXFSHQSA-N 2 2 389.971 3.808 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246450091 879574339 /nfs/dbraw/zinc/57/43/39/879574339.db2.gz DTOYKQXLKQLKFB-BLIXFSHQSA-N 2 2 389.971 3.808 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246450091 879574355 /nfs/dbraw/zinc/57/43/55/879574355.db2.gz DTOYKQXLKQLKFB-BLIXFSHQSA-N 2 2 389.971 3.808 20 0 GHADLP O=C1O[C@]2(CN1C[N@@H+]1CCCC[C@H]1c1cc3ccccc3[nH]1)C[NH+]1CCC2CC1 ZINC000790362632 879631254 /nfs/dbraw/zinc/63/12/54/879631254.db2.gz MSLFMKAEPIGQCH-GMAHTHKFSA-N 2 2 394.519 3.569 20 0 GHADLP O=C1O[C@]2(CN1C[N@H+]1CCCC[C@H]1c1cc3ccccc3[nH]1)C[NH+]1CCC2CC1 ZINC000790362632 879631261 /nfs/dbraw/zinc/63/12/61/879631261.db2.gz MSLFMKAEPIGQCH-GMAHTHKFSA-N 2 2 394.519 3.569 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccc(N2CCCOC2=O)cc1 ZINC000854222779 879640760 /nfs/dbraw/zinc/64/07/60/879640760.db2.gz MEHJVKAUVWNOOZ-KNXBSLHKSA-N 2 2 397.494 3.969 20 0 GHADLP O[C@H](C[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl)C[NH+]1CCCC1 ZINC000461403841 879751424 /nfs/dbraw/zinc/75/14/24/879751424.db2.gz CUYGYTZZJRUDAS-QGZVFWFLSA-N 2 2 378.875 3.818 20 0 GHADLP CN(C(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246728443 879779659 /nfs/dbraw/zinc/77/96/59/879779659.db2.gz NVYHGUNXSCJHFN-VQTJNVASSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246728443 879779672 /nfs/dbraw/zinc/77/96/72/879779672.db2.gz NVYHGUNXSCJHFN-VQTJNVASSA-N 2 2 394.510 3.766 20 0 GHADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247035621 879894857 /nfs/dbraw/zinc/89/48/57/879894857.db2.gz RNDOLEYAXKMHBD-NJDAHSKKSA-N 2 2 383.580 3.546 20 0 GHADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247035621 879894873 /nfs/dbraw/zinc/89/48/73/879894873.db2.gz RNDOLEYAXKMHBD-NJDAHSKKSA-N 2 2 383.580 3.546 20 0 GHADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247035621 879894889 /nfs/dbraw/zinc/89/48/89/879894889.db2.gz RNDOLEYAXKMHBD-NJDAHSKKSA-N 2 2 383.580 3.546 20 0 GHADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247035621 879894905 /nfs/dbraw/zinc/89/49/05/879894905.db2.gz RNDOLEYAXKMHBD-NJDAHSKKSA-N 2 2 383.580 3.546 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000247057434 879902194 /nfs/dbraw/zinc/90/21/94/879902194.db2.gz NPULWQIBCAMTBN-HYBUGGRVSA-N 2 2 392.591 3.719 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000247057434 879902207 /nfs/dbraw/zinc/90/22/07/879902207.db2.gz NPULWQIBCAMTBN-HYBUGGRVSA-N 2 2 392.591 3.719 20 0 GHADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000247072607 879907712 /nfs/dbraw/zinc/90/77/12/879907712.db2.gz QHAQYXLWBBNWTA-GBXCKJPGSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000247072607 879907725 /nfs/dbraw/zinc/90/77/25/879907725.db2.gz QHAQYXLWBBNWTA-GBXCKJPGSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000247072607 879907738 /nfs/dbraw/zinc/90/77/38/879907738.db2.gz QHAQYXLWBBNWTA-GBXCKJPGSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000247072607 879907746 /nfs/dbraw/zinc/90/77/46/879907746.db2.gz QHAQYXLWBBNWTA-GBXCKJPGSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000247354440 879980031 /nfs/dbraw/zinc/98/00/31/879980031.db2.gz IIJAAXIUDRNNNG-STZQEDGTSA-N 2 2 395.551 3.531 20 0 GHADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000247354440 879980045 /nfs/dbraw/zinc/98/00/45/879980045.db2.gz IIJAAXIUDRNNNG-STZQEDGTSA-N 2 2 395.551 3.531 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ncc(-c2ccccc2)n1C ZINC000453074465 880396934 /nfs/dbraw/zinc/39/69/34/880396934.db2.gz GUNHCYPNICJCCU-LJQANCHMSA-N 2 2 390.531 3.770 20 0 GHADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)c1ccc(F)cn1 ZINC000453332595 880765615 /nfs/dbraw/zinc/76/56/15/880765615.db2.gz VENIGXNRVVCGSW-OAQYLSRUSA-N 2 2 384.499 3.884 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000186878519 881011119 /nfs/dbraw/zinc/01/11/19/881011119.db2.gz GAOWMMKXKGLVQO-JPYJTQIMSA-N 2 2 375.520 3.829 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000186878519 881011137 /nfs/dbraw/zinc/01/11/37/881011137.db2.gz GAOWMMKXKGLVQO-JPYJTQIMSA-N 2 2 375.520 3.829 20 0 GHADLP Cc1cc(Br)c(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)s1 ZINC000453587138 881102441 /nfs/dbraw/zinc/10/24/41/881102441.db2.gz SROCRRGQVNABPL-UHFFFAOYSA-N 2 2 395.366 3.941 20 0 GHADLP c1c[nH]c([C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C2CCCCC2)n1 ZINC000286234848 912643541 /nfs/dbraw/zinc/64/35/41/912643541.db2.gz SYRSSRODYNVPPZ-QFIPXVFZSA-N 2 2 398.551 3.532 20 0 GHADLP c1ccc(Cn2c(C[NH+]3CCCC3)nnc2SCCC[NH+]2CCCCC2)cc1 ZINC000187653969 881262813 /nfs/dbraw/zinc/26/28/13/881262813.db2.gz XVGXQAITDRCNFF-UHFFFAOYSA-N 2 2 399.608 3.890 20 0 GHADLP COC(=O)CCC[C@@H]1CCC[C@@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)C1 ZINC000551141468 883375504 /nfs/dbraw/zinc/37/55/04/883375504.db2.gz GUXXTKCYOVAOAF-NSHGMRRFSA-N 2 2 388.556 3.536 20 0 GHADLP COc1ncc(Br)cc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214036 883666903 /nfs/dbraw/zinc/66/69/03/883666903.db2.gz UHOHLAABAAIIOZ-UHFFFAOYSA-N 2 2 378.314 3.546 20 0 GHADLP COc1ncc(Br)cc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214036 883666909 /nfs/dbraw/zinc/66/69/09/883666909.db2.gz UHOHLAABAAIIOZ-UHFFFAOYSA-N 2 2 378.314 3.546 20 0 GHADLP c1cn(-c2csc(C[NH2+]C[C@H]3CSCCN3Cc3ccccc3)c2)c[nH+]1 ZINC000428545729 884020642 /nfs/dbraw/zinc/02/06/42/884020642.db2.gz MECZWSQVOUAZOA-IBGZPJMESA-N 2 2 384.574 3.641 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000191951181 884222370 /nfs/dbraw/zinc/22/23/70/884222370.db2.gz RZLFFMRENYHKAM-UHFFFAOYSA-N 2 2 380.536 3.651 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000498604641 884976573 /nfs/dbraw/zinc/97/65/73/884976573.db2.gz WWRIVAJJMKEKGO-RTBURBONSA-N 2 2 396.535 3.513 20 0 GHADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCO2 ZINC000556502939 885184495 /nfs/dbraw/zinc/18/44/95/885184495.db2.gz DDVMKHBFTDGOJK-YADHBBJMSA-N 2 2 396.531 3.790 20 0 GHADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCO2 ZINC000556502939 885184498 /nfs/dbraw/zinc/18/44/98/885184498.db2.gz DDVMKHBFTDGOJK-YADHBBJMSA-N 2 2 396.531 3.790 20 0 GHADLP Clc1ccc(-c2ncc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)s2)cc1 ZINC000655767200 885425628 /nfs/dbraw/zinc/42/56/28/885425628.db2.gz YZQJIHXMMPYIRX-KRWDZBQOSA-N 2 2 377.941 3.806 20 0 GHADLP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000303026705 885430452 /nfs/dbraw/zinc/43/04/52/885430452.db2.gz OKIOSQBJBZNLSN-UXHICEINSA-N 2 2 382.527 3.816 20 0 GHADLP C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000303026705 885430459 /nfs/dbraw/zinc/43/04/59/885430459.db2.gz OKIOSQBJBZNLSN-UXHICEINSA-N 2 2 382.527 3.816 20 0 GHADLP CC(C)(C)CCOc1cnccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655767715 885437934 /nfs/dbraw/zinc/43/79/34/885437934.db2.gz IQXAFGMTUDKVFQ-HXUWFJFHSA-N 2 2 375.557 3.630 20 0 GHADLP C[NH+](C)C[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(Cl)c(Cl)c1 ZINC001170526527 885504573 /nfs/dbraw/zinc/50/45/73/885504573.db2.gz RJUJKMLDKFDDMU-OAHLLOKOSA-N 2 2 377.275 3.674 20 0 GHADLP CC(C)[NH+](CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C(C)C ZINC000131114435 885546142 /nfs/dbraw/zinc/54/61/42/885546142.db2.gz HWYUYWMSFZVREE-LEWJYISDSA-N 2 2 383.540 3.530 20 0 GHADLP C[C@@H]1[C@@H]([NH2+]CCc2cc(F)cc3c2OCOC3)CCC[N@@H+]1Cc1ccccc1 ZINC000550644027 885715599 /nfs/dbraw/zinc/71/55/99/885715599.db2.gz JXNAGHJNZZMUSB-VGSWGCGISA-N 2 2 384.495 3.877 20 0 GHADLP C[C@@H]1[C@@H]([NH2+]CCc2cc(F)cc3c2OCOC3)CCC[N@H+]1Cc1ccccc1 ZINC000550644027 885715607 /nfs/dbraw/zinc/71/56/07/885715607.db2.gz JXNAGHJNZZMUSB-VGSWGCGISA-N 2 2 384.495 3.877 20 0 GHADLP CC[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000476472464 885961863 /nfs/dbraw/zinc/96/18/63/885961863.db2.gz PXLJYADXMFPUGJ-FVTFTPSCSA-N 2 2 377.617 3.998 20 0 GHADLP CC[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000476472464 885961873 /nfs/dbraw/zinc/96/18/73/885961873.db2.gz PXLJYADXMFPUGJ-FVTFTPSCSA-N 2 2 377.617 3.998 20 0 GHADLP C[NH+](C)CCOC1CC[NH+](Cn2c(-c3ccccc3)csc2=S)CC1 ZINC000747457011 886003134 /nfs/dbraw/zinc/00/31/34/886003134.db2.gz NHVSKJRSWUCTLY-UHFFFAOYSA-N 2 2 377.579 3.946 20 0 GHADLP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000429728647 886240233 /nfs/dbraw/zinc/24/02/33/886240233.db2.gz ZPRULPPBWSEEPX-KRWDZBQOSA-N 2 2 390.911 3.635 20 0 GHADLP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868152 886294564 /nfs/dbraw/zinc/29/45/64/886294564.db2.gz XZRRXOCWWMFPHZ-HNNXBMFYSA-N 2 2 385.508 3.626 20 0 GHADLP CCN(C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000072718571 886345515 /nfs/dbraw/zinc/34/55/15/886345515.db2.gz FYCUZXYPLBZHSZ-RTBURBONSA-N 2 2 375.532 3.543 20 0 GHADLP CCN(C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000072718571 886345534 /nfs/dbraw/zinc/34/55/34/886345534.db2.gz FYCUZXYPLBZHSZ-RTBURBONSA-N 2 2 375.532 3.543 20 0 GHADLP CN(C(=O)Nc1cc(F)ccc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000119285871 886520005 /nfs/dbraw/zinc/52/00/05/886520005.db2.gz YAVTXISQPRVESG-PMACEKPBSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1cc(F)ccc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000119285871 886520014 /nfs/dbraw/zinc/52/00/14/886520014.db2.gz YAVTXISQPRVESG-PMACEKPBSA-N 2 2 394.510 3.766 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000125195410 886837117 /nfs/dbraw/zinc/83/71/17/886837117.db2.gz KXRSMXJYLYDDIS-QZTJIDSGSA-N 2 2 386.561 3.966 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@H](c2ccccc2)OC1=O ZINC000863261711 886975213 /nfs/dbraw/zinc/97/52/13/886975213.db2.gz LZLGYKVJMJHTEY-OAQYLSRUSA-N 2 2 394.519 3.771 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@H](c2ccccc2)OC1=O ZINC000863261711 886975222 /nfs/dbraw/zinc/97/52/22/886975222.db2.gz LZLGYKVJMJHTEY-OAQYLSRUSA-N 2 2 394.519 3.771 20 0 GHADLP O=C1O[C@@H](c2ccccc2)CN1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000863266144 886981039 /nfs/dbraw/zinc/98/10/39/886981039.db2.gz DWFQCZMJHLMVFH-HXUWFJFHSA-N 2 2 380.492 3.550 20 0 GHADLP COC(=O)COc1ccccc1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001184373901 913165536 /nfs/dbraw/zinc/16/55/36/913165536.db2.gz FQGGSMYAVRNLFF-QGZVFWFLSA-N 2 2 385.508 3.570 20 0 GHADLP COC(=O)COc1ccccc1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001184373901 913165544 /nfs/dbraw/zinc/16/55/44/913165544.db2.gz FQGGSMYAVRNLFF-QGZVFWFLSA-N 2 2 385.508 3.570 20 0 GHADLP COc1ccccc1[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000062360574 887748235 /nfs/dbraw/zinc/74/82/35/887748235.db2.gz TUCXZYUVTBYQON-JTHBVZDNSA-N 2 2 395.547 3.641 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccccc1 ZINC000062370800 887749681 /nfs/dbraw/zinc/74/96/81/887749681.db2.gz MMUWKDVLZNEEJN-NHCUHLMSSA-N 2 2 385.939 3.896 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)n2)C1 ZINC000809999524 888066661 /nfs/dbraw/zinc/06/66/61/888066661.db2.gz ODTLEZRSFGYZJH-KUHUBIRLSA-N 2 2 382.549 3.526 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)n2)C1 ZINC000809999524 888066676 /nfs/dbraw/zinc/06/66/76/888066676.db2.gz ODTLEZRSFGYZJH-KUHUBIRLSA-N 2 2 382.549 3.526 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)n2)C1 ZINC000809999524 888066692 /nfs/dbraw/zinc/06/66/92/888066692.db2.gz ODTLEZRSFGYZJH-KUHUBIRLSA-N 2 2 382.549 3.526 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)n2)C1 ZINC000809999524 888066709 /nfs/dbraw/zinc/06/67/09/888066709.db2.gz ODTLEZRSFGYZJH-KUHUBIRLSA-N 2 2 382.549 3.526 20 0 GHADLP O[C@@H](CNc1ccn2cc[nH+]c2c1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001170595252 888124769 /nfs/dbraw/zinc/12/47/69/888124769.db2.gz IRIGMAXITILWCT-QHCPKHFHSA-N 2 2 386.499 3.810 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@]3(C)OCCc4sccc43)CC2)cc1 ZINC000810252906 888355241 /nfs/dbraw/zinc/35/52/41/888355241.db2.gz KVPPAMWRJLRJMZ-QFIPXVFZSA-N 2 2 385.577 3.861 20 0 GHADLP C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000810253303 888356604 /nfs/dbraw/zinc/35/66/04/888356604.db2.gz QMQDMEVWSYTGLS-IXDOHACOSA-N 2 2 376.545 3.815 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 ZINC000865480963 888377273 /nfs/dbraw/zinc/37/72/73/888377273.db2.gz CMPPCPUDHVDXIL-JOCHJYFZSA-N 2 2 388.515 3.730 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)cc1 ZINC000287363028 913287867 /nfs/dbraw/zinc/28/78/67/913287867.db2.gz ODLGONIBNAYBTO-PKOBYXMFSA-N 2 2 392.503 3.842 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C4(CCC4)C3)CC2)cc1 ZINC001168509664 888963150 /nfs/dbraw/zinc/96/31/50/888963150.db2.gz OCISMIBDCQPKMI-OAQYLSRUSA-N 2 2 397.607 3.966 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C4(CCC4)C3)CC2)cc1 ZINC001168509664 888963170 /nfs/dbraw/zinc/96/31/70/888963170.db2.gz OCISMIBDCQPKMI-OAQYLSRUSA-N 2 2 397.607 3.966 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC(C)(C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000454503238 889156212 /nfs/dbraw/zinc/15/62/12/889156212.db2.gz IBIPJZLNCBXOMR-HDICACEKSA-N 2 2 390.572 3.538 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC(C)(C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000454503238 889156220 /nfs/dbraw/zinc/15/62/20/889156220.db2.gz IBIPJZLNCBXOMR-HDICACEKSA-N 2 2 390.572 3.538 20 0 GHADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000868153525 889324742 /nfs/dbraw/zinc/32/47/42/889324742.db2.gz ACZRBZPVOVMVCI-IDHPPYADSA-N 2 2 379.508 3.539 20 0 GHADLP CC[N@H+](C)Cc1cccc(CNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000123640942 889354914 /nfs/dbraw/zinc/35/49/14/889354914.db2.gz KURRIIIBLUJVOI-UHFFFAOYSA-N 2 2 396.560 3.644 20 0 GHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000123640942 889354923 /nfs/dbraw/zinc/35/49/23/889354923.db2.gz KURRIIIBLUJVOI-UHFFFAOYSA-N 2 2 396.560 3.644 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000533067267 889624721 /nfs/dbraw/zinc/62/47/21/889624721.db2.gz NPNGDVQFCPONIX-WIYYLYMNSA-N 2 2 388.515 3.883 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000533067267 889624725 /nfs/dbraw/zinc/62/47/25/889624725.db2.gz NPNGDVQFCPONIX-WIYYLYMNSA-N 2 2 388.515 3.883 20 0 GHADLP Cc1ccccc1C1(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000126181008 890401380 /nfs/dbraw/zinc/40/13/80/890401380.db2.gz STAHZBOVNVIWSR-UHFFFAOYSA-N 2 2 397.607 3.872 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H](O)c3c(F)cccc3Cl)CC2)cc1 ZINC000812834594 891019190 /nfs/dbraw/zinc/01/91/90/891019190.db2.gz BAXPJGUVUCRWFV-HXUWFJFHSA-N 2 2 391.918 3.837 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC000812841353 891030490 /nfs/dbraw/zinc/03/04/90/891030490.db2.gz WJRVTXAJLKXYOU-OAHLLOKOSA-N 2 2 384.923 3.982 20 0 GHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC000812841353 891030496 /nfs/dbraw/zinc/03/04/96/891030496.db2.gz WJRVTXAJLKXYOU-OAHLLOKOSA-N 2 2 384.923 3.982 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000533672648 891054384 /nfs/dbraw/zinc/05/43/84/891054384.db2.gz YCACAHJMACZXQG-AABGKKOBSA-N 2 2 380.621 3.790 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000533672648 891054394 /nfs/dbraw/zinc/05/43/94/891054394.db2.gz YCACAHJMACZXQG-AABGKKOBSA-N 2 2 380.621 3.790 20 0 GHADLP Cc1cc(C)c(NC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c(C)[nH+]1 ZINC000455541918 891118189 /nfs/dbraw/zinc/11/81/89/891118189.db2.gz ZKEJBISNKNMOSJ-UHFFFAOYSA-N 2 2 382.508 3.802 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000246588797 891289717 /nfs/dbraw/zinc/28/97/17/891289717.db2.gz ZEFCGUCAHJCYED-WTIAFYNJSA-N 2 2 381.564 3.684 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000246588797 891289730 /nfs/dbraw/zinc/28/97/30/891289730.db2.gz ZEFCGUCAHJCYED-WTIAFYNJSA-N 2 2 381.564 3.684 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1cccs1 ZINC000247435541 891375720 /nfs/dbraw/zinc/37/57/20/891375720.db2.gz PAJKUSRMYGHADR-PXNSSMCTSA-N 2 2 380.517 3.747 20 0 GHADLP C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1cccs1 ZINC000247435541 891375734 /nfs/dbraw/zinc/37/57/34/891375734.db2.gz PAJKUSRMYGHADR-PXNSSMCTSA-N 2 2 380.517 3.747 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000247968965 891403978 /nfs/dbraw/zinc/40/39/78/891403978.db2.gz HBNYSZWZKZCCNW-PUZWTLIVSA-N 2 2 375.516 3.768 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000247968965 891403983 /nfs/dbraw/zinc/40/39/83/891403983.db2.gz HBNYSZWZKZCCNW-PUZWTLIVSA-N 2 2 375.516 3.768 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc(Br)c(C)s2)cn1 ZINC000873016428 891429769 /nfs/dbraw/zinc/42/97/69/891429769.db2.gz KIBBLTOCYIFVDG-UHFFFAOYSA-N 2 2 377.311 3.998 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2cnnn2-c2ccccc2)CC1 ZINC000813327715 891480364 /nfs/dbraw/zinc/48/03/64/891480364.db2.gz HBIOFDNPIKESKJ-ZWKOTPCHSA-N 2 2 376.508 3.539 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000249102848 891495272 /nfs/dbraw/zinc/49/52/72/891495272.db2.gz WPCAMUKPAHQVBH-QFBILLFUSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000249102848 891495280 /nfs/dbraw/zinc/49/52/80/891495280.db2.gz WPCAMUKPAHQVBH-QFBILLFUSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@H](O)[C@@](C)(C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Cc1ccccc1 ZINC000249713089 891519012 /nfs/dbraw/zinc/51/90/12/891519012.db2.gz ZFTLLXUIJWVNSD-CDPNLFKUSA-N 2 2 381.564 3.511 20 0 GHADLP C[C@H](O)[C@@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Cc1ccccc1 ZINC000249713089 891519016 /nfs/dbraw/zinc/51/90/16/891519016.db2.gz ZFTLLXUIJWVNSD-CDPNLFKUSA-N 2 2 381.564 3.511 20 0 GHADLP CCc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000287878379 913574179 /nfs/dbraw/zinc/57/41/79/913574179.db2.gz ZBMHFSRQMJMKIZ-UHFFFAOYSA-N 2 2 378.948 3.583 20 0 GHADLP CC(C)[C@H](c1ccccc1)[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000497449002 891612421 /nfs/dbraw/zinc/61/24/21/891612421.db2.gz YDQAYBGTCWDMSL-JOCHJYFZSA-N 2 2 385.577 3.721 20 0 GHADLP CN(C(=O)C(F)(F)c1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124653481 891799965 /nfs/dbraw/zinc/79/99/65/891799965.db2.gz NUAKPMYZWACCLW-UXHICEINSA-N 2 2 393.522 3.574 20 0 GHADLP CN(C(=O)C(F)(F)c1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124653481 891799977 /nfs/dbraw/zinc/79/99/77/891799977.db2.gz NUAKPMYZWACCLW-UXHICEINSA-N 2 2 393.522 3.574 20 0 GHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[NH+](C)C ZINC000497618827 892022513 /nfs/dbraw/zinc/02/25/13/892022513.db2.gz BZDJLOACRCBADV-AVRDEDQJSA-N 2 2 391.519 3.671 20 0 GHADLP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000162049816 892023711 /nfs/dbraw/zinc/02/37/11/892023711.db2.gz ZIPIBODDNBODTL-GAJHUEQPSA-N 2 2 384.495 3.560 20 0 GHADLP COc1cc(Nc2ccc[nH+]c2N2CCCC2)ccc1OCC[NH+]1CCCC1 ZINC001185043875 913620161 /nfs/dbraw/zinc/62/01/61/913620161.db2.gz PEMSOHXSLINLTE-UHFFFAOYSA-N 2 2 382.508 3.909 20 0 GHADLP C[NH2+]CCC1CC[NH+]([C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)CC1 ZINC000262025007 892199730 /nfs/dbraw/zinc/19/97/30/892199730.db2.gz ZEEQGMJRENNHOR-ZIAGYGMSSA-N 2 2 388.581 3.904 20 0 GHADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H](C)CC[P@@](C)(=O)OCC ZINC000876828287 893353147 /nfs/dbraw/zinc/35/31/47/893353147.db2.gz QDKMQOFZSFXIAL-CRYYWNKWSA-N 2 2 397.500 3.972 20 0 GHADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cc3c(ccnc3Cl)o2)c2ccccc2)CC1 ZINC000876874982 893370158 /nfs/dbraw/zinc/37/01/58/893370158.db2.gz ONLHXOXMPHEUMU-LJQANCHMSA-N 2 2 384.911 3.560 20 0 GHADLP C[NH+](C)CCOc1cccc(C[NH2+]Cc2nc(Cl)ccc2Br)c1 ZINC000876941684 893395786 /nfs/dbraw/zinc/39/57/86/893395786.db2.gz KEEYXAFQJMCTMZ-UHFFFAOYSA-N 2 2 398.732 3.728 20 0 GHADLP FC1(F)CC(C[NH+]2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)C1 ZINC000459502932 893640892 /nfs/dbraw/zinc/64/08/92/893640892.db2.gz HDLPTVLOHHDKOH-UHFFFAOYSA-N 2 2 383.914 3.972 20 0 GHADLP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129642656 893749466 /nfs/dbraw/zinc/74/94/66/893749466.db2.gz UNQVPNQZGBJGQW-KEYYUXOJSA-N 2 2 380.414 3.812 20 0 GHADLP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129642656 893749476 /nfs/dbraw/zinc/74/94/76/893749476.db2.gz UNQVPNQZGBJGQW-KEYYUXOJSA-N 2 2 380.414 3.812 20 0 GHADLP C[C@@H]1C[C@H](CC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000556120748 893835648 /nfs/dbraw/zinc/83/56/48/893835648.db2.gz YDUXWUURJFBFNY-KPFFTGBYSA-N 2 2 381.549 3.846 20 0 GHADLP C[C@@H]1C[C@H](CC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)C[N@H+]1Cc1ccccc1 ZINC000556120748 893835675 /nfs/dbraw/zinc/83/56/75/893835675.db2.gz YDUXWUURJFBFNY-KPFFTGBYSA-N 2 2 381.549 3.846 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2)cs1 ZINC000129817133 893991703 /nfs/dbraw/zinc/99/17/03/893991703.db2.gz KHYKXOZIIJSPQZ-FOIQADDNSA-N 2 2 395.532 3.837 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2)cs1 ZINC000129817133 893991728 /nfs/dbraw/zinc/99/17/28/893991728.db2.gz KHYKXOZIIJSPQZ-FOIQADDNSA-N 2 2 395.532 3.837 20 0 GHADLP FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000563669058 894045815 /nfs/dbraw/zinc/04/58/15/894045815.db2.gz FWPKOZUCFJPKLZ-GDBMZVCRSA-N 2 2 380.414 3.719 20 0 GHADLP FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000563669058 894045825 /nfs/dbraw/zinc/04/58/25/894045825.db2.gz FWPKOZUCFJPKLZ-GDBMZVCRSA-N 2 2 380.414 3.719 20 0 GHADLP CSc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000563670657 894050065 /nfs/dbraw/zinc/05/00/65/894050065.db2.gz UQCDAOJILBLEEK-TZYHBYERSA-N 2 2 398.620 3.906 20 0 GHADLP CSc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000563670657 894050080 /nfs/dbraw/zinc/05/00/80/894050080.db2.gz UQCDAOJILBLEEK-TZYHBYERSA-N 2 2 398.620 3.906 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2scnc2Cl)CC1 ZINC000878357648 894220457 /nfs/dbraw/zinc/22/04/57/894220457.db2.gz MLPXNIAYDKYSTM-ZDUSSCGKSA-N 2 2 382.936 3.928 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000288790025 913879833 /nfs/dbraw/zinc/87/98/33/913879833.db2.gz YQZUMNIMWCCWOS-QFBILLFUSA-N 2 2 392.906 3.865 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000288790025 913879850 /nfs/dbraw/zinc/87/98/50/913879850.db2.gz YQZUMNIMWCCWOS-QFBILLFUSA-N 2 2 392.906 3.865 20 0 GHADLP CCC[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000537229041 894605910 /nfs/dbraw/zinc/60/59/10/894605910.db2.gz GFCXTGLODZUHHO-FQEVSTJZSA-N 2 2 385.577 3.936 20 0 GHADLP CCC[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000537229041 894605920 /nfs/dbraw/zinc/60/59/20/894605920.db2.gz GFCXTGLODZUHHO-FQEVSTJZSA-N 2 2 385.577 3.936 20 0 GHADLP CC(C)[N@@H+](C)C[C@H](C)NC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000564428046 894971453 /nfs/dbraw/zinc/97/14/53/894971453.db2.gz QELYAYWUOMQCCA-INIZCTEOSA-N 2 2 382.390 3.732 20 0 GHADLP CC(C)[N@H+](C)C[C@H](C)NC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000564428046 894971461 /nfs/dbraw/zinc/97/14/61/894971461.db2.gz QELYAYWUOMQCCA-INIZCTEOSA-N 2 2 382.390 3.732 20 0 GHADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000879319941 894984092 /nfs/dbraw/zinc/98/40/92/894984092.db2.gz CXFNLTYXHNKMTD-OAQYLSRUSA-N 2 2 377.492 3.550 20 0 GHADLP CC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(OC)c(OC)c1 ZINC000537456203 895026057 /nfs/dbraw/zinc/02/60/57/895026057.db2.gz SJLDBSFADNTYLP-MOPGFXCFSA-N 2 2 384.524 3.802 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](C[C@@H]3CCOC3)c3ccccc3)[nH+]c2)C1 ZINC000537458214 895060259 /nfs/dbraw/zinc/06/02/59/895060259.db2.gz XSKZRLKVGQTAFI-VLCRHTCISA-N 2 2 380.536 3.802 20 0 GHADLP O[C@H](C[C@@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000817275723 895462337 /nfs/dbraw/zinc/46/23/37/895462337.db2.gz MXHRUNGGFXBINE-BJKOFHAPSA-N 2 2 398.522 3.746 20 0 GHADLP O[C@H](C[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000817275723 895462345 /nfs/dbraw/zinc/46/23/45/895462345.db2.gz MXHRUNGGFXBINE-BJKOFHAPSA-N 2 2 398.522 3.746 20 0 GHADLP CC(CC[NH+]1CCC(C)([NH+]2CCC2)CC1)CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474092 895723801 /nfs/dbraw/zinc/72/38/01/895723801.db2.gz DKNAKXSHPCSZJP-UHFFFAOYSA-N 4 2 390.660 3.523 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000565773062 895867440 /nfs/dbraw/zinc/86/74/40/895867440.db2.gz HCNUDWRVEHSSLX-LGWHJFRWSA-N 2 2 389.902 3.677 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000565773062 895867452 /nfs/dbraw/zinc/86/74/52/895867452.db2.gz HCNUDWRVEHSSLX-LGWHJFRWSA-N 2 2 389.902 3.677 20 0 GHADLP O=C(Nc1cccc2c1CC[NH2+]C2)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000565998373 896037842 /nfs/dbraw/zinc/03/78/42/896037842.db2.gz GQIQDMHYHFFZKH-VXKWHMMOSA-N 2 2 387.487 3.579 20 0 GHADLP CNC(=O)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000566216210 896177354 /nfs/dbraw/zinc/17/73/54/896177354.db2.gz UVKYNTIHGKPYRM-YADHBBJMSA-N 2 2 377.532 3.651 20 0 GHADLP CNC(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000566216210 896177361 /nfs/dbraw/zinc/17/73/61/896177361.db2.gz UVKYNTIHGKPYRM-YADHBBJMSA-N 2 2 377.532 3.651 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000566244395 896196247 /nfs/dbraw/zinc/19/62/47/896196247.db2.gz LRWIEAVXGAZKSS-UVFQYZLESA-N 2 2 387.911 3.698 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000566244395 896196260 /nfs/dbraw/zinc/19/62/60/896196260.db2.gz LRWIEAVXGAZKSS-UVFQYZLESA-N 2 2 387.911 3.698 20 0 GHADLP C[C@@H](OC[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000818979852 896297947 /nfs/dbraw/zinc/29/79/47/896297947.db2.gz BVJIQQGJEZKZCO-IIBYNOLFSA-N 2 2 385.895 3.754 20 0 GHADLP C[C@](O)(C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Br)cc1Cl ZINC000818959261 896298134 /nfs/dbraw/zinc/29/81/34/896298134.db2.gz GXCALWHRQRNPHH-BBWFWOEESA-N 2 2 387.749 3.526 20 0 GHADLP C[C@](O)(C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Br)cc1Cl ZINC000818959261 896298146 /nfs/dbraw/zinc/29/81/46/896298146.db2.gz GXCALWHRQRNPHH-BBWFWOEESA-N 2 2 387.749 3.526 20 0 GHADLP C[C@](O)(C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Br)cc1Cl ZINC000818959263 896298615 /nfs/dbraw/zinc/29/86/15/896298615.db2.gz GXCALWHRQRNPHH-ULQDDVLXSA-N 2 2 387.749 3.526 20 0 GHADLP C[C@](O)(C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Br)cc1Cl ZINC000818959263 896298631 /nfs/dbraw/zinc/29/86/31/896298631.db2.gz GXCALWHRQRNPHH-ULQDDVLXSA-N 2 2 387.749 3.526 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cn2ccccc2n1 ZINC000566474144 896331903 /nfs/dbraw/zinc/33/19/03/896331903.db2.gz FKRVWAIZGFMLLB-IAGOWNOFSA-N 2 2 381.499 3.637 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000129186225 896495431 /nfs/dbraw/zinc/49/54/31/896495431.db2.gz XAHOWDMTIOBYMW-YJBOKZPZSA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000129186225 896495442 /nfs/dbraw/zinc/49/54/42/896495442.db2.gz XAHOWDMTIOBYMW-YJBOKZPZSA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000129186225 896495449 /nfs/dbraw/zinc/49/54/49/896495449.db2.gz XAHOWDMTIOBYMW-YJBOKZPZSA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000129186225 896495459 /nfs/dbraw/zinc/49/54/59/896495459.db2.gz XAHOWDMTIOBYMW-YJBOKZPZSA-N 2 2 394.350 3.934 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC001136204853 896553384 /nfs/dbraw/zinc/55/33/84/896553384.db2.gz ALKQIXUMEXYYQQ-HSZRJFAPSA-N 2 2 393.531 3.894 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC001136204853 896553396 /nfs/dbraw/zinc/55/33/96/896553396.db2.gz ALKQIXUMEXYYQQ-HSZRJFAPSA-N 2 2 393.531 3.894 20 0 GHADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000567122029 896892077 /nfs/dbraw/zinc/89/20/77/896892077.db2.gz ZAINOLMKXZVCHL-HXUWFJFHSA-N 2 2 376.504 3.627 20 0 GHADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000567122029 896892091 /nfs/dbraw/zinc/89/20/91/896892091.db2.gz ZAINOLMKXZVCHL-HXUWFJFHSA-N 2 2 376.504 3.627 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ncc(C3OCCO3)s2)C1 ZINC000289268067 914118731 /nfs/dbraw/zinc/11/87/31/914118731.db2.gz NEGCKUSDXDBCQC-MRXNPFEDSA-N 2 2 387.549 3.710 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ncc(C3OCCO3)s2)C1 ZINC000289268067 914118738 /nfs/dbraw/zinc/11/87/38/914118738.db2.gz NEGCKUSDXDBCQC-MRXNPFEDSA-N 2 2 387.549 3.710 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCCCC2)s1 ZINC000796283942 914125337 /nfs/dbraw/zinc/12/53/37/914125337.db2.gz MUDWIJOJSUTHBA-UHFFFAOYSA-N 2 2 382.574 3.522 20 0 GHADLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000883231354 897390026 /nfs/dbraw/zinc/39/00/26/897390026.db2.gz IMOBIURAWGIWLV-JOCHJYFZSA-N 2 2 395.551 3.578 20 0 GHADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000567972703 897515993 /nfs/dbraw/zinc/51/59/93/897515993.db2.gz IFBLBTKXLISYKT-DEOSSOPVSA-N 2 2 386.499 3.756 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000568125562 897615712 /nfs/dbraw/zinc/61/57/12/897615712.db2.gz MVKCQFYHCULBGP-QHCPKHFHSA-N 2 2 378.564 3.894 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000568125562 897615713 /nfs/dbraw/zinc/61/57/13/897615713.db2.gz MVKCQFYHCULBGP-QHCPKHFHSA-N 2 2 378.564 3.894 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[NH2+]CCC12CCC2 ZINC000883560115 897707040 /nfs/dbraw/zinc/70/70/40/897707040.db2.gz UTOYZOQHNUWKHO-UHFFFAOYSA-N 2 2 379.508 3.636 20 0 GHADLP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc(Br)c1OC ZINC000568330082 897745690 /nfs/dbraw/zinc/74/56/90/897745690.db2.gz TVHTZAQCXNBBRI-CZUORRHYSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc(Br)c1OC ZINC000568330082 897745700 /nfs/dbraw/zinc/74/57/00/897745700.db2.gz TVHTZAQCXNBBRI-CZUORRHYSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc(Br)c1OC ZINC000568330082 897745709 /nfs/dbraw/zinc/74/57/09/897745709.db2.gz TVHTZAQCXNBBRI-CZUORRHYSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc(Br)c1OC ZINC000568330082 897745722 /nfs/dbraw/zinc/74/57/22/897745722.db2.gz TVHTZAQCXNBBRI-CZUORRHYSA-N 2 2 385.346 3.628 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795631 898597631 /nfs/dbraw/zinc/59/76/31/898597631.db2.gz OKOXAPKDCOVTSX-LJQANCHMSA-N 2 2 388.515 3.814 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000569401354 898621781 /nfs/dbraw/zinc/62/17/81/898621781.db2.gz LPJZTQIAOXYOJN-VQTJNVASSA-N 2 2 391.559 3.649 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000569401355 898622085 /nfs/dbraw/zinc/62/20/85/898622085.db2.gz LPJZTQIAOXYOJN-WOJBJXKFSA-N 2 2 391.559 3.649 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc4c(o3)c(F)ccc4C)CC2)CC1 ZINC000823113573 898855100 /nfs/dbraw/zinc/85/51/00/898855100.db2.gz ATRSUXLBQDRQCS-UHFFFAOYSA-N 2 2 387.499 3.513 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc4c(o3)c(F)ccc4C)CC2)CC1 ZINC000823113573 898855115 /nfs/dbraw/zinc/85/51/15/898855115.db2.gz ATRSUXLBQDRQCS-UHFFFAOYSA-N 2 2 387.499 3.513 20 0 GHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000114240249 899072670 /nfs/dbraw/zinc/07/26/70/899072670.db2.gz FXLQMXNZVVHQMW-UHFFFAOYSA-N 2 2 392.503 3.810 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(Br)c(C)s1 ZINC001136818936 899372759 /nfs/dbraw/zinc/37/27/59/899372759.db2.gz NUVDKYSDSKNMRH-UHFFFAOYSA-N 2 2 377.267 3.960 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)c1cccc(C(F)(F)F)c1 ZINC000570977882 899695186 /nfs/dbraw/zinc/69/51/86/899695186.db2.gz JWFWVKDFIFAGNR-INIZCTEOSA-N 2 2 391.397 3.778 20 0 GHADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000571010324 899712864 /nfs/dbraw/zinc/71/28/64/899712864.db2.gz ZRSGMXHUZKEGRS-HKUYNNGSSA-N 2 2 386.367 3.527 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000332993277 899884912 /nfs/dbraw/zinc/88/49/12/899884912.db2.gz BQMYGARSRCLHFG-KRWDZBQOSA-N 2 2 396.535 3.743 20 0 GHADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(F)cc1 ZINC000333014988 899893727 /nfs/dbraw/zinc/89/37/27/899893727.db2.gz GREHZLONQOXYNE-IAGOWNOFSA-N 2 2 398.526 3.804 20 0 GHADLP C[NH+](C)CCOc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c(F)c1 ZINC000572375624 900162807 /nfs/dbraw/zinc/16/28/07/900162807.db2.gz RACAIJFNHMITFE-LJQANCHMSA-N 2 2 393.890 3.661 20 0 GHADLP COc1cccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)c1OC ZINC000573688399 900596919 /nfs/dbraw/zinc/59/69/19/900596919.db2.gz JCCWUEXGYKTTRH-CRAIPNDOSA-N 2 2 387.549 3.791 20 0 GHADLP COc1cccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)c1OC ZINC000573688399 900596922 /nfs/dbraw/zinc/59/69/22/900596922.db2.gz JCCWUEXGYKTTRH-CRAIPNDOSA-N 2 2 387.549 3.791 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1OC(F)(F)F ZINC001143879475 900650963 /nfs/dbraw/zinc/65/09/63/900650963.db2.gz MGEOMZNVJICMBP-OAHLLOKOSA-N 2 2 382.382 3.951 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1OC(F)(F)F ZINC001143879475 900650972 /nfs/dbraw/zinc/65/09/72/900650972.db2.gz MGEOMZNVJICMBP-OAHLLOKOSA-N 2 2 382.382 3.951 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc5cccc(Cl)c5n4)C[C@H]3C2)cn1 ZINC001137224361 900694550 /nfs/dbraw/zinc/69/45/50/900694550.db2.gz FYAJACFYCZIUOB-RTBURBONSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc5cccc(Cl)c5n4)C[C@H]3C2)cn1 ZINC001137224361 900694558 /nfs/dbraw/zinc/69/45/58/900694558.db2.gz FYAJACFYCZIUOB-RTBURBONSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc5cccc(Cl)c5n4)C[C@H]3C2)cn1 ZINC001137224361 900694562 /nfs/dbraw/zinc/69/45/62/900694562.db2.gz FYAJACFYCZIUOB-RTBURBONSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc5cccc(Cl)c5n4)C[C@H]3C2)cn1 ZINC001137224361 900694572 /nfs/dbraw/zinc/69/45/72/900694572.db2.gz FYAJACFYCZIUOB-RTBURBONSA-N 2 2 395.938 3.576 20 0 GHADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccc(OC)c(OC)c4)s3)C[C@H]2C1 ZINC001144071221 901020164 /nfs/dbraw/zinc/02/01/64/901020164.db2.gz SYFFUSYGGWYGKT-IAGOWNOFSA-N 2 2 387.549 3.601 20 0 GHADLP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(C3CC[NH2+]CC3)[nH]1)CCCS2 ZINC000575052723 901102848 /nfs/dbraw/zinc/10/28/48/901102848.db2.gz GYKWFKXJYQFWLK-HNNXBMFYSA-N 2 2 377.945 3.642 20 0 GHADLP Cc1[nH]c(C2CC[NH+](Cc3nc(COc4ccc(F)cc4)no3)CC2)[nH+]c1C ZINC000886669807 901217226 /nfs/dbraw/zinc/21/72/26/901217226.db2.gz FBUBTIJIWJJPKY-UHFFFAOYSA-N 2 2 385.443 3.507 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090523756 901434399 /nfs/dbraw/zinc/43/43/99/901434399.db2.gz ZKSOOGGARFKFBE-RTFZILSDSA-N 3 2 382.552 3.599 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000575958171 901519374 /nfs/dbraw/zinc/51/93/74/901519374.db2.gz CJNPILOLGBPQCH-QFIPXVFZSA-N 2 2 376.500 3.990 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[N@@H+]1C ZINC000093644980 901556881 /nfs/dbraw/zinc/55/68/81/901556881.db2.gz DRSOBQNOORJMNL-AVRDEDQJSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[N@H+]1C ZINC000093644980 901556892 /nfs/dbraw/zinc/55/68/92/901556892.db2.gz DRSOBQNOORJMNL-AVRDEDQJSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[NH+]1C ZINC000093644980 901556898 /nfs/dbraw/zinc/55/68/98/901556898.db2.gz DRSOBQNOORJMNL-AVRDEDQJSA-N 2 2 375.520 3.849 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[NH+]1C ZINC000093644980 901556907 /nfs/dbraw/zinc/55/69/07/901556907.db2.gz DRSOBQNOORJMNL-AVRDEDQJSA-N 2 2 375.520 3.849 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000333376307 902046424 /nfs/dbraw/zinc/04/64/24/902046424.db2.gz VRNJYQVFJOYLNI-LJQANCHMSA-N 2 2 393.535 3.740 20 0 GHADLP Cc1ccsc1CNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000577709296 903086530 /nfs/dbraw/zinc/08/65/30/903086530.db2.gz JTCATTOZGWLFLV-HXUWFJFHSA-N 2 2 385.577 3.563 20 0 GHADLP Cc1ccsc1CNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000577709296 903086545 /nfs/dbraw/zinc/08/65/45/903086545.db2.gz JTCATTOZGWLFLV-HXUWFJFHSA-N 2 2 385.577 3.563 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1csc(-c2ccc(Cl)cc2)c1 ZINC001146890911 903630556 /nfs/dbraw/zinc/63/05/56/903630556.db2.gz PMPNWXDGXRXGJX-UHFFFAOYSA-N 2 2 379.957 3.682 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1csc(-c2ccc(Cl)cc2)c1 ZINC001146890911 903630563 /nfs/dbraw/zinc/63/05/63/903630563.db2.gz PMPNWXDGXRXGJX-UHFFFAOYSA-N 2 2 379.957 3.682 20 0 GHADLP CCN(C(=O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000578700650 904062608 /nfs/dbraw/zinc/06/26/08/904062608.db2.gz AIWFLBKAWMVOIU-GOSISDBHSA-N 2 2 399.510 3.982 20 0 GHADLP Fc1ccc2cc(C[NH+]3CCN([C@@H]4CC[N@H+](Cc5ccccc5)C4)CC3)[nH]c2c1 ZINC000579528937 904675425 /nfs/dbraw/zinc/67/54/25/904675425.db2.gz XTWDVXNSRPQMIH-HSZRJFAPSA-N 2 2 392.522 3.699 20 0 GHADLP Fc1ccc2cc(C[NH+]3CCN([C@@H]4CC[N@@H+](Cc5ccccc5)C4)CC3)[nH]c2c1 ZINC000579528937 904675432 /nfs/dbraw/zinc/67/54/32/904675432.db2.gz XTWDVXNSRPQMIH-HSZRJFAPSA-N 2 2 392.522 3.699 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cn2c3cc(F)ccc3oc2=O)CC1 ZINC000773301300 904698281 /nfs/dbraw/zinc/69/82/81/904698281.db2.gz OJWXJYDIABVQGG-UHFFFAOYSA-N 2 2 383.467 3.535 20 0 GHADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cn2c3cc(F)ccc3oc2=O)CC1 ZINC000773301300 904698286 /nfs/dbraw/zinc/69/82/86/904698286.db2.gz OJWXJYDIABVQGG-UHFFFAOYSA-N 2 2 383.467 3.535 20 0 GHADLP Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1)CC[NH2+]CC2 ZINC001171605250 904867325 /nfs/dbraw/zinc/86/73/25/904867325.db2.gz JGUAAULVJQRNMZ-QFBILLFUSA-N 2 2 390.572 3.866 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cccnc1 ZINC001171977203 905223086 /nfs/dbraw/zinc/22/30/86/905223086.db2.gz YIXWQMCMBJJMJL-SFTDATJTSA-N 2 2 381.520 3.719 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cccnc1 ZINC001171977203 905223105 /nfs/dbraw/zinc/22/31/05/905223105.db2.gz YIXWQMCMBJJMJL-SFTDATJTSA-N 2 2 381.520 3.719 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171981974 905234968 /nfs/dbraw/zinc/23/49/68/905234968.db2.gz FFZRMOREIFJLGD-IBGZPJMESA-N 2 2 381.520 3.791 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171981974 905234982 /nfs/dbraw/zinc/23/49/82/905234982.db2.gz FFZRMOREIFJLGD-IBGZPJMESA-N 2 2 381.520 3.791 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC[NH+](Cc4ccccn4)CC2)C3)cc1 ZINC001172071322 905274572 /nfs/dbraw/zinc/27/45/72/905274572.db2.gz HSEKSZYLFFXCBX-LNWKWYTESA-N 2 2 390.575 3.785 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC[NH+](Cc4ccccn4)CC2)C3)cc1 ZINC001172071322 905274582 /nfs/dbraw/zinc/27/45/82/905274582.db2.gz HSEKSZYLFFXCBX-LNWKWYTESA-N 2 2 390.575 3.785 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1Cc3ccccc3C[C@H]1C[NH3+])C2 ZINC001172091195 905311494 /nfs/dbraw/zinc/31/14/94/905311494.db2.gz SOJIRIPGTKXHNH-BQJUDKOJSA-N 2 2 385.552 3.693 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1Cc3ccccc3C[C@H]1C[NH3+])C2 ZINC001172091195 905311510 /nfs/dbraw/zinc/31/15/10/905311510.db2.gz SOJIRIPGTKXHNH-BQJUDKOJSA-N 2 2 385.552 3.693 20 0 GHADLP COC(=O)c1ccnc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172066340 905331676 /nfs/dbraw/zinc/33/16/76/905331676.db2.gz VSIDCLGZJGOYTO-QQFNCUIESA-N 2 2 379.504 3.544 20 0 GHADLP COC(=O)c1ccnc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172066340 905331690 /nfs/dbraw/zinc/33/16/90/905331690.db2.gz VSIDCLGZJGOYTO-QQFNCUIESA-N 2 2 379.504 3.544 20 0 GHADLP COCCC[NH+]1CCC([NH+]2CCN(c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC001172253525 905448209 /nfs/dbraw/zinc/44/82/09/905448209.db2.gz SQFNFTKIASLATQ-UHFFFAOYSA-N 2 2 386.367 3.616 20 0 GHADLP CC[C@@H](C)OCC[C@H](C)[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001172338349 905503636 /nfs/dbraw/zinc/50/36/36/905503636.db2.gz NYUAMHKXBKRDSY-GMLUQMLDSA-N 2 2 395.613 3.568 20 0 GHADLP CC[C@@H](C)OCC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001172338349 905503649 /nfs/dbraw/zinc/50/36/49/905503649.db2.gz NYUAMHKXBKRDSY-GMLUQMLDSA-N 2 2 395.613 3.568 20 0 GHADLP CC[C@@H](C)OCC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001172338349 905503661 /nfs/dbraw/zinc/50/36/61/905503661.db2.gz NYUAMHKXBKRDSY-GMLUQMLDSA-N 2 2 395.613 3.568 20 0 GHADLP CC[C@@H](C)OCC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001172338349 905503682 /nfs/dbraw/zinc/50/36/82/905503682.db2.gz NYUAMHKXBKRDSY-GMLUQMLDSA-N 2 2 395.613 3.568 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]CC2C[NH+](C)C2)CCN1C(=O)OC(C)(C)C ZINC001172607055 905666953 /nfs/dbraw/zinc/66/69/53/905666953.db2.gz TVMADPFXPOJQNN-ICSRJNTNSA-N 2 2 391.531 3.726 20 0 GHADLP COC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)CC1 ZINC001172777027 905817669 /nfs/dbraw/zinc/81/76/69/905817669.db2.gz HZDXDEVYQVWXME-FXAWDEMLSA-N 2 2 376.516 3.810 20 0 GHADLP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001172806017 905879029 /nfs/dbraw/zinc/87/90/29/905879029.db2.gz FKCKQWVAZQRQKQ-PXNSSMCTSA-N 2 2 376.516 3.844 20 0 GHADLP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001172806017 905879034 /nfs/dbraw/zinc/87/90/34/905879034.db2.gz FKCKQWVAZQRQKQ-PXNSSMCTSA-N 2 2 376.516 3.844 20 0 GHADLP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172853745 905909436 /nfs/dbraw/zinc/90/94/36/905909436.db2.gz PPKRHRRYBDWHRB-CGTJXYLNSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172853745 905909451 /nfs/dbraw/zinc/90/94/51/905909451.db2.gz PPKRHRRYBDWHRB-CGTJXYLNSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@@H](Cc1c(F)cccc1Cl)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172853745 905909463 /nfs/dbraw/zinc/90/94/63/905909463.db2.gz PPKRHRRYBDWHRB-CGTJXYLNSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@@H](Cc1c(F)cccc1Cl)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172853745 905909473 /nfs/dbraw/zinc/90/94/73/905909473.db2.gz PPKRHRRYBDWHRB-CGTJXYLNSA-N 2 2 390.934 3.598 20 0 GHADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@H+]([C@H]1CCCC3(CCCCC3)C1)C2 ZINC001173342009 906382152 /nfs/dbraw/zinc/38/21/52/906382152.db2.gz ABVJMLPVRXYTBV-FQEVSTJZSA-N 2 2 395.551 3.587 20 0 GHADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@@H+]([C@H]1CCCC3(CCCCC3)C1)C2 ZINC001173342009 906382166 /nfs/dbraw/zinc/38/21/66/906382166.db2.gz ABVJMLPVRXYTBV-FQEVSTJZSA-N 2 2 395.551 3.587 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc(OCc2ccccc2)c1OC ZINC001206201593 906480984 /nfs/dbraw/zinc/48/09/84/906480984.db2.gz XXVSVRMCKIYOJV-RTBURBONSA-N 2 2 388.483 3.544 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc(OCc2ccccc2)c1OC ZINC001206201593 906480988 /nfs/dbraw/zinc/48/09/88/906480988.db2.gz XXVSVRMCKIYOJV-RTBURBONSA-N 2 2 388.483 3.544 20 0 GHADLP O=C(C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)Nc1nc2ccc(F)cc2s1 ZINC001175678246 907688808 /nfs/dbraw/zinc/68/88/08/907688808.db2.gz NZPQEOCTMNKESB-KRWDZBQOSA-N 2 2 395.463 3.602 20 0 GHADLP CC[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc(OC)c1OC ZINC000631574938 907763764 /nfs/dbraw/zinc/76/37/64/907763764.db2.gz HCPIMGSAPPGSLD-YADHBBJMSA-N 2 2 397.563 3.733 20 0 GHADLP CC1CC[NH+](C2CCC(NC(=O)Cc3ccc(-n4cc[nH+]c4)cc3)CC2)CC1 ZINC000632068227 907919488 /nfs/dbraw/zinc/91/94/88/907919488.db2.gz FUCYAJNYJUUZQU-UHFFFAOYSA-N 2 2 380.536 3.574 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC001176983752 908346002 /nfs/dbraw/zinc/34/60/02/908346002.db2.gz ADLDPNZWGGGMKB-LPHOPBHVSA-N 2 2 384.499 3.762 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC001176983752 908346016 /nfs/dbraw/zinc/34/60/16/908346016.db2.gz ADLDPNZWGGGMKB-LPHOPBHVSA-N 2 2 384.499 3.762 20 0 GHADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]CC(C)(C)c2ccc(Br)cc2)C1 ZINC001177060731 908387249 /nfs/dbraw/zinc/38/72/49/908387249.db2.gz AUCAAEKDKFXSDY-SFHVURJKSA-N 2 2 383.374 3.673 20 0 GHADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]CC(C)(C)c2ccc(Br)cc2)C1 ZINC001177060731 908387258 /nfs/dbraw/zinc/38/72/58/908387258.db2.gz AUCAAEKDKFXSDY-SFHVURJKSA-N 2 2 383.374 3.673 20 0 GHADLP CCC1([NH+]2CCCC2)CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000633955933 908557853 /nfs/dbraw/zinc/55/78/53/908557853.db2.gz ZMEXLYILIZXPFB-HXUWFJFHSA-N 2 2 380.536 3.799 20 0 GHADLP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000191837634 908682258 /nfs/dbraw/zinc/68/22/58/908682258.db2.gz NJPDPNKQJOQMEP-FDDCHVKYSA-N 2 2 381.520 3.587 20 0 GHADLP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000191837634 908682270 /nfs/dbraw/zinc/68/22/70/908682270.db2.gz NJPDPNKQJOQMEP-FDDCHVKYSA-N 2 2 381.520 3.587 20 0 GHADLP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2cccnc2Cl)CC1)CC(C)C ZINC000773733268 908960351 /nfs/dbraw/zinc/96/03/51/908960351.db2.gz XEJPNFCQOSBGPT-UHFFFAOYSA-N 2 2 380.964 3.754 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2cccnc2Cl)CC1)CC(C)C ZINC000773733268 908960363 /nfs/dbraw/zinc/96/03/63/908960363.db2.gz XEJPNFCQOSBGPT-UHFFFAOYSA-N 2 2 380.964 3.754 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000635133508 909152215 /nfs/dbraw/zinc/15/22/15/909152215.db2.gz FJMVDVRJIKUTEH-KRWDZBQOSA-N 2 2 382.430 3.535 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000635188133 909178622 /nfs/dbraw/zinc/17/86/22/909178622.db2.gz GMSNFAWWDVYQDV-IRXDYDNUSA-N 2 2 382.430 3.576 20 0 GHADLP C[NH+]1CCC(Nc2ccccc2NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635487616 909269316 /nfs/dbraw/zinc/26/93/16/909269316.db2.gz UREFYYBRGGPUAT-KRWDZBQOSA-N 2 2 395.429 3.521 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1sccc1C[NH+](C)C ZINC000267991420 909727305 /nfs/dbraw/zinc/72/73/05/909727305.db2.gz AOJCPYOIMWMCLH-UHFFFAOYSA-N 2 2 386.565 3.583 20 0 GHADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001179816026 909748562 /nfs/dbraw/zinc/74/85/62/909748562.db2.gz JYICSNIHAPUQKV-POZUXBRTSA-N 2 2 393.362 3.976 20 0 GHADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001179816026 909748567 /nfs/dbraw/zinc/74/85/67/909748567.db2.gz JYICSNIHAPUQKV-POZUXBRTSA-N 2 2 393.362 3.976 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268044417 909750355 /nfs/dbraw/zinc/75/03/55/909750355.db2.gz RKWFNMBMAMUFRQ-UHFFFAOYSA-N 2 2 391.968 3.858 20 0 GHADLP Fc1cccc(/C=C\C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001179989789 909856653 /nfs/dbraw/zinc/85/66/53/909856653.db2.gz WMYRUJXRXHKAJK-VWTGBZJHSA-N 2 2 394.538 3.768 20 0 GHADLP Fc1cccc(/C=C\C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001179989789 909856661 /nfs/dbraw/zinc/85/66/61/909856661.db2.gz WMYRUJXRXHKAJK-VWTGBZJHSA-N 2 2 394.538 3.768 20 0 GHADLP Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)s1 ZINC001180262438 910053391 /nfs/dbraw/zinc/05/33/91/910053391.db2.gz VHKZTIHLGMRNEM-KRWDZBQOSA-N 2 2 389.565 3.664 20 0 GHADLP Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)s1 ZINC001180262438 910053399 /nfs/dbraw/zinc/05/33/99/910053399.db2.gz VHKZTIHLGMRNEM-KRWDZBQOSA-N 2 2 389.565 3.664 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000246520075 910350749 /nfs/dbraw/zinc/35/07/49/910350749.db2.gz UPXPMYOXGAFELL-CDHQVMDDSA-N 2 2 393.453 3.634 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000246520075 910350768 /nfs/dbraw/zinc/35/07/68/910350768.db2.gz UPXPMYOXGAFELL-CDHQVMDDSA-N 2 2 393.453 3.634 20 0 GHADLP C[NH+]1CCC2(CC[N@H+](Cc3nc(=O)c4c(-c5ccccc5)csc4[nH]3)C2)CC1 ZINC000639757210 910649473 /nfs/dbraw/zinc/64/94/73/910649473.db2.gz IWCRAGGPRDIZTQ-UHFFFAOYSA-N 2 2 394.544 3.982 20 0 GHADLP C[NH+]1CCC2(CC[N@@H+](Cc3nc(=O)c4c(-c5ccccc5)csc4[nH]3)C2)CC1 ZINC000639757210 910649480 /nfs/dbraw/zinc/64/94/80/910649480.db2.gz IWCRAGGPRDIZTQ-UHFFFAOYSA-N 2 2 394.544 3.982 20 0 GHADLP COC(=O)[C@H](C)Oc1ccccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001181506494 910807756 /nfs/dbraw/zinc/80/77/56/910807756.db2.gz RAIHDNYKFSIFFF-SFHVURJKSA-N 2 2 385.508 3.516 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000774006897 911229091 /nfs/dbraw/zinc/22/90/91/911229091.db2.gz IQTRBHQIOUXXCT-QUCCMNQESA-N 2 2 392.906 3.716 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000774006897 911229095 /nfs/dbraw/zinc/22/90/95/911229095.db2.gz IQTRBHQIOUXXCT-QUCCMNQESA-N 2 2 392.906 3.716 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C(=O)OC)c1ccccc1C ZINC000466799766 911632163 /nfs/dbraw/zinc/63/21/63/911632163.db2.gz ASABBCINNHDDNN-QFIPXVFZSA-N 2 2 381.520 3.843 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C(=O)OC)c1ccccc1C ZINC000466799766 911632171 /nfs/dbraw/zinc/63/21/71/911632171.db2.gz ASABBCINNHDDNN-QFIPXVFZSA-N 2 2 381.520 3.843 20 0 GHADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCc1cccs1 ZINC000647241718 915099169 /nfs/dbraw/zinc/09/91/69/915099169.db2.gz VWDVVOUBNUSUBX-PZJWPPBQSA-N 2 2 397.588 3.930 20 0 GHADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCc1cccs1 ZINC000647241718 915099188 /nfs/dbraw/zinc/09/91/88/915099188.db2.gz VWDVVOUBNUSUBX-PZJWPPBQSA-N 2 2 397.588 3.930 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647900559 915430857 /nfs/dbraw/zinc/43/08/57/915430857.db2.gz DCWDLUGZAIVNFW-MZYLBHOOSA-N 2 2 399.579 3.603 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647900559 915430863 /nfs/dbraw/zinc/43/08/63/915430863.db2.gz DCWDLUGZAIVNFW-MZYLBHOOSA-N 2 2 399.579 3.603 20 0 GHADLP c1cc(Sc2ccccn2)oc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000292966923 915924907 /nfs/dbraw/zinc/92/49/07/915924907.db2.gz KSXYICSHORYQDD-UHFFFAOYSA-N 2 2 395.528 3.948 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2coc3ccc(Cl)cc23)([NH+]2CCCCC2)CC1 ZINC000649772319 916390893 /nfs/dbraw/zinc/39/08/93/916390893.db2.gz JITQHIHTHWKUHV-UHFFFAOYSA-N 2 2 389.927 3.766 20 0 GHADLP CN(CC[NH+]1CCCCC1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000650159748 916762542 /nfs/dbraw/zinc/76/25/42/916762542.db2.gz RBFLVWBMMNVYFN-UHFFFAOYSA-N 2 2 381.524 3.836 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1-c1noc(Cc2cn3c([nH+]2)CCCC3)n1 ZINC000650529531 917063435 /nfs/dbraw/zinc/06/34/35/917063435.db2.gz SLTLSRJZKZNRBF-UHFFFAOYSA-N 2 2 395.507 3.581 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]1CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000295072923 917125960 /nfs/dbraw/zinc/12/59/60/917125960.db2.gz REQGYCNMBZWCPG-LJQANCHMSA-N 2 2 388.556 3.820 20 0 GHADLP CCC[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)CC1CCCCC1 ZINC001190493870 917389959 /nfs/dbraw/zinc/38/99/59/917389959.db2.gz LKJJVLJCKNJULF-UHFFFAOYSA-N 2 2 377.598 3.685 20 0 GHADLP CCC[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)CC1CCCCC1 ZINC001190493870 917389976 /nfs/dbraw/zinc/38/99/76/917389976.db2.gz LKJJVLJCKNJULF-UHFFFAOYSA-N 2 2 377.598 3.685 20 0 GHADLP C[C@@H](CC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)n1cc[nH+]c1 ZINC000651054654 917398232 /nfs/dbraw/zinc/39/82/32/917398232.db2.gz ASUFENDYHDAHGI-SFHVURJKSA-N 2 2 376.504 3.879 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCc3ccc4c(c3)CCCC4)CC2)CC1 ZINC000651207090 917512455 /nfs/dbraw/zinc/51/24/55/917512455.db2.gz HFZXPFPEFGJMOX-UHFFFAOYSA-N 2 2 397.607 3.563 20 0 GHADLP CC(C)=CCSc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363257532 917992282 /nfs/dbraw/zinc/99/22/82/917992282.db2.gz YVHWLHSTSFBSKC-GOSISDBHSA-N 2 2 387.593 3.643 20 0 GHADLP CC(C)=CCSc1ccccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363257532 917992293 /nfs/dbraw/zinc/99/22/93/917992293.db2.gz YVHWLHSTSFBSKC-GOSISDBHSA-N 2 2 387.593 3.643 20 0 GHADLP CC(C)CCOc1ccccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000654186545 918867930 /nfs/dbraw/zinc/86/79/30/918867930.db2.gz KMCVLKXNSDNXPH-UHFFFAOYSA-N 2 2 390.572 3.601 20 0 GHADLP CC(C)CCOc1ccccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000654186545 918867939 /nfs/dbraw/zinc/86/79/39/918867939.db2.gz KMCVLKXNSDNXPH-UHFFFAOYSA-N 2 2 390.572 3.601 20 0 GHADLP CC(C)(C)OC(=O)Nc1ncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000800513365 920225257 /nfs/dbraw/zinc/22/52/57/920225257.db2.gz YPGNPUUFSRJZBJ-PBHICJAKSA-N 2 2 392.569 3.939 20 0 GHADLP CC(C)(C)OC(=O)Nc1ncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000800513365 920225264 /nfs/dbraw/zinc/22/52/64/920225264.db2.gz YPGNPUUFSRJZBJ-PBHICJAKSA-N 2 2 392.569 3.939 20 0 GHADLP CC(C)(C)OC(=O)Nc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000800513365 920225278 /nfs/dbraw/zinc/22/52/78/920225278.db2.gz YPGNPUUFSRJZBJ-PBHICJAKSA-N 2 2 392.569 3.939 20 0 GHADLP CC(C)(C)OC(=O)Nc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000800513365 920225291 /nfs/dbraw/zinc/22/52/91/920225291.db2.gz YPGNPUUFSRJZBJ-PBHICJAKSA-N 2 2 392.569 3.939 20 0 GHADLP CN(Cc1csc(-c2ccc(F)cc2)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367686598 922266324 /nfs/dbraw/zinc/26/63/24/922266324.db2.gz URASQYMHBBRCHK-HXUWFJFHSA-N 2 2 388.556 3.550 20 0 GHADLP CN(Cc1csc(-c2ccc(F)cc2)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367686598 922266352 /nfs/dbraw/zinc/26/63/52/922266352.db2.gz URASQYMHBBRCHK-HXUWFJFHSA-N 2 2 388.556 3.550 20 0 GHADLP COc1ccc(C[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccc(OC)cc2)cc1 ZINC000368102421 922475327 /nfs/dbraw/zinc/47/53/27/922475327.db2.gz OIZUFVNEUWBLDH-GCJKJVERSA-N 2 2 377.488 3.858 20 0 GHADLP COc1ccc(Cl)c2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000903099006 922770086 /nfs/dbraw/zinc/77/00/86/922770086.db2.gz XDFDJCTYNYHQNB-DNVCBOLYSA-N 2 2 378.944 3.817 20 0 GHADLP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1Cl ZINC000369470868 923358986 /nfs/dbraw/zinc/35/89/86/923358986.db2.gz XHUZDTKPJKVGGR-ZIAGYGMSSA-N 2 2 399.366 3.522 20 0 GHADLP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1Cl ZINC000369470868 923358999 /nfs/dbraw/zinc/35/89/99/923358999.db2.gz XHUZDTKPJKVGGR-ZIAGYGMSSA-N 2 2 399.366 3.522 20 0 GHADLP Cc1c(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc2ccccn12 ZINC001137272461 924143270 /nfs/dbraw/zinc/14/32/70/924143270.db2.gz VXPKFCAROCBZOD-RRPUWOKSSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1c(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc2ccccn12 ZINC001137272461 924143276 /nfs/dbraw/zinc/14/32/76/924143276.db2.gz VXPKFCAROCBZOD-RRPUWOKSSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1c(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)nc2ccccn12 ZINC001137272461 924143282 /nfs/dbraw/zinc/14/32/82/924143282.db2.gz VXPKFCAROCBZOD-RRPUWOKSSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)nc2ccccn12 ZINC001137272461 924143289 /nfs/dbraw/zinc/14/32/89/924143289.db2.gz VXPKFCAROCBZOD-RRPUWOKSSA-N 2 2 389.547 3.770 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2cnc4ccccc4c2)CC3)n1 ZINC001137280879 924211922 /nfs/dbraw/zinc/21/19/22/924211922.db2.gz JINIZLRJDKTTRM-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2cnc4ccccc4c2)CC3)n1 ZINC001137280879 924211936 /nfs/dbraw/zinc/21/19/36/924211936.db2.gz JINIZLRJDKTTRM-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP CN1C(=O)C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000677246550 924298905 /nfs/dbraw/zinc/29/89/05/924298905.db2.gz SXRJVLKVBMLMLC-CTNGQTDRSA-N 2 2 398.869 3.726 20 0 GHADLP CN(C(=O)C[C@H]1CCc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677289776 924314737 /nfs/dbraw/zinc/31/47/37/924314737.db2.gz DHKZQMBMAMHSLE-HUVFLSCGSA-N 2 2 397.607 3.902 20 0 GHADLP CN(C(=O)C[C@H]1CCc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677289776 924314740 /nfs/dbraw/zinc/31/47/40/924314740.db2.gz DHKZQMBMAMHSLE-HUVFLSCGSA-N 2 2 397.607 3.902 20 0 GHADLP CN(C(=O)c1cc2occc2s1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677289427 924314824 /nfs/dbraw/zinc/31/48/24/924314824.db2.gz AKXUKDIEAVCWNH-IRXDYDNUSA-N 2 2 389.565 3.904 20 0 GHADLP CN(C(=O)c1cc2occc2s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677289427 924314830 /nfs/dbraw/zinc/31/48/30/924314830.db2.gz AKXUKDIEAVCWNH-IRXDYDNUSA-N 2 2 389.565 3.904 20 0 GHADLP Cc1ccc(-c2nc(C[NH+]3CCC(N4CC[NH+](C(C)C)CC4)CC3)co2)cc1 ZINC000677738827 924473132 /nfs/dbraw/zinc/47/31/32/924473132.db2.gz QRTDPQRDSFKJGP-UHFFFAOYSA-N 2 2 382.552 3.640 20 0 GHADLP CC(C)c1ccc(/C=C/CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677924777 924549262 /nfs/dbraw/zinc/54/92/62/924549262.db2.gz JUVRRMIZZZRTQS-AWUSRGSFSA-N 2 2 383.580 3.840 20 0 GHADLP CC(C)c1ccc(/C=C/CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677924777 924549270 /nfs/dbraw/zinc/54/92/70/924549270.db2.gz JUVRRMIZZZRTQS-AWUSRGSFSA-N 2 2 383.580 3.840 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000409533202 924739336 /nfs/dbraw/zinc/73/93/36/924739336.db2.gz FZWVWFXYEUUJKY-RTWAWAEBSA-N 2 2 385.939 3.896 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)NCc1ccc(C)[nH+]c1N1CCCC1)c1ccccc1 ZINC000679664478 925213667 /nfs/dbraw/zinc/21/36/67/925213667.db2.gz QVAIMOWKQXWQIK-NRFANRHFSA-N 2 2 380.536 3.690 20 0 GHADLP CCCCC1CCC(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000681210583 925762257 /nfs/dbraw/zinc/76/22/57/925762257.db2.gz OYQPTTJDBGBBRD-QETWGEEDSA-N 2 2 392.632 3.793 20 0 GHADLP CCCCC1CCC(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000681210583 925762261 /nfs/dbraw/zinc/76/22/61/925762261.db2.gz OYQPTTJDBGBBRD-QETWGEEDSA-N 2 2 392.632 3.793 20 0 GHADLP Cc1oc(-c2ccccc2)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000681993674 925976641 /nfs/dbraw/zinc/97/66/41/925976641.db2.gz SPIULYPTCVMYOA-NRFANRHFSA-N 2 2 395.547 3.804 20 0 GHADLP Cc1oc(-c2ccccc2)c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000681993674 925976653 /nfs/dbraw/zinc/97/66/53/925976653.db2.gz SPIULYPTCVMYOA-NRFANRHFSA-N 2 2 395.547 3.804 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC000682534782 926155421 /nfs/dbraw/zinc/15/54/21/926155421.db2.gz XYZBTNXGITWZMV-LFUKPOHLSA-N 2 2 395.576 3.790 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC000682534782 926155426 /nfs/dbraw/zinc/15/54/26/926155426.db2.gz XYZBTNXGITWZMV-LFUKPOHLSA-N 2 2 395.576 3.790 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)s1 ZINC000373472707 926167102 /nfs/dbraw/zinc/16/71/02/926167102.db2.gz FVBNKXDNQJHHKJ-YJBOKZPZSA-N 2 2 384.611 3.674 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@@H](Cn3cc[nH+]c3)c3ccc(C)cc3C)C2=O)cc1 ZINC000749605964 927210838 /nfs/dbraw/zinc/21/08/38/927210838.db2.gz RDFJBMVGZAWABH-GOTSBHOMSA-N 2 2 388.515 3.945 20 0 GHADLP C[C@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000412692983 927739450 /nfs/dbraw/zinc/73/94/50/927739450.db2.gz FGMNHTSYZCWAAZ-SFHVURJKSA-N 2 2 391.515 3.841 20 0 GHADLP C[C@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000412692983 927739456 /nfs/dbraw/zinc/73/94/56/927739456.db2.gz FGMNHTSYZCWAAZ-SFHVURJKSA-N 2 2 391.515 3.841 20 0 GHADLP O[C@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467139278 928746465 /nfs/dbraw/zinc/74/64/65/928746465.db2.gz NMCHNHNCEDWSEA-NRFANRHFSA-N 2 2 377.488 3.696 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1nc(C(F)(F)F)cs1 ZINC000467749961 929369493 /nfs/dbraw/zinc/36/94/93/929369493.db2.gz UBTCPASJXHAWMO-YPMHNXCESA-N 2 2 385.459 3.870 20 0 GHADLP CCCC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000467840557 929494791 /nfs/dbraw/zinc/49/47/91/929494791.db2.gz IFHUDTJYERGUPH-OAQYLSRUSA-N 2 2 380.536 3.641 20 0 GHADLP C[NH+](C)CCOC1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000469610776 930026176 /nfs/dbraw/zinc/02/61/76/930026176.db2.gz GROKLEPYLXZIJA-UHFFFAOYSA-N 2 2 375.738 3.645 20 0 GHADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000469774783 930153757 /nfs/dbraw/zinc/15/37/57/930153757.db2.gz HVBJGCSZUSTWGT-RJGXRXQPSA-N 2 2 386.580 3.633 20 0 GHADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000469774783 930153760 /nfs/dbraw/zinc/15/37/60/930153760.db2.gz HVBJGCSZUSTWGT-RJGXRXQPSA-N 2 2 386.580 3.633 20 0 GHADLP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3CC[NH+]3Cc3ccccc3)cc2)C1 ZINC000470081647 930366534 /nfs/dbraw/zinc/36/65/34/930366534.db2.gz NBBSXDVXZWNWKV-WMZHIEFXSA-N 2 2 393.531 3.620 20 0 GHADLP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3CC[NH+]3Cc3ccccc3)cc2)C1 ZINC000470081647 930366542 /nfs/dbraw/zinc/36/65/42/930366542.db2.gz NBBSXDVXZWNWKV-WMZHIEFXSA-N 2 2 393.531 3.620 20 0 GHADLP C[C@H]1CC[NH+](CCOc2ccc(NC(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)cc2)C1 ZINC000470081647 930366550 /nfs/dbraw/zinc/36/65/50/930366550.db2.gz NBBSXDVXZWNWKV-WMZHIEFXSA-N 2 2 393.531 3.620 20 0 GHADLP C[C@H]1CC[NH+](CCOc2ccc(NC(=O)[C@H]3CC[N@H+]3Cc3ccccc3)cc2)C1 ZINC000470081647 930366558 /nfs/dbraw/zinc/36/65/58/930366558.db2.gz NBBSXDVXZWNWKV-WMZHIEFXSA-N 2 2 393.531 3.620 20 0 GHADLP CC[NH+](CC)CCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000547254120 930846472 /nfs/dbraw/zinc/84/64/72/930846472.db2.gz PGLVXEUMCMBVOW-UHFFFAOYSA-N 2 2 393.988 3.950 20 0 GHADLP CC(=O)N1CC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c2ccccc21 ZINC000781517648 930875341 /nfs/dbraw/zinc/87/53/41/930875341.db2.gz OXOZKDGXPFIQOA-HSZRJFAPSA-N 2 2 392.547 3.809 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)Cc2c(Cl)cccc2Cl)CC1 ZINC000547330258 930921526 /nfs/dbraw/zinc/92/15/26/930921526.db2.gz MVJYMSYEZCKAJD-AWEZNQCLSA-N 2 2 387.351 3.932 20 0 GHADLP CC(C)c1nc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cs1 ZINC000547399752 930982386 /nfs/dbraw/zinc/98/23/86/930982386.db2.gz SOILZQHIQODGPR-DOTOQJQBSA-N 2 2 378.611 3.967 20 0 GHADLP Cc1cc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000471066504 931129932 /nfs/dbraw/zinc/12/99/32/931129932.db2.gz POQYNMWBSJDLGN-UHFFFAOYSA-N 2 2 382.552 3.814 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000782546919 931265299 /nfs/dbraw/zinc/26/52/99/931265299.db2.gz LSQNKEGUUZSFBV-LSDHHAIUSA-N 2 2 376.526 3.859 20 0 GHADLP CC(C)[C@H](C[NH2+][C@@H](c1cc2ccccc2o1)c1ccccn1)N1CC[NH+](C)CC1 ZINC000924634140 931456953 /nfs/dbraw/zinc/45/69/53/931456953.db2.gz YABUKBJUJKNPMX-XUZZJYLKSA-N 2 2 392.547 3.779 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2cn(C(C)C)nn2)CC1 ZINC000924958913 931595157 /nfs/dbraw/zinc/59/51/57/931595157.db2.gz BFSSJLNTFXXNDO-DLBZAZTESA-N 2 2 388.535 3.552 20 0 GHADLP CCc1ccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2cccnc2)cc1 ZINC000925057162 931628357 /nfs/dbraw/zinc/62/83/57/931628357.db2.gz NWOYNEXTLGDTQM-RPWUZVMVSA-N 2 2 379.548 3.966 20 0 GHADLP CCc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2cccnc2)cc1 ZINC000925093781 931642843 /nfs/dbraw/zinc/64/28/43/931642843.db2.gz LHGGILMTJKYFID-HYBUGGRVSA-N 2 2 379.548 3.824 20 0 GHADLP CN(C(=O)CC1CCC(F)(F)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000626261698 931795573 /nfs/dbraw/zinc/79/55/73/931795573.db2.gz HMAFDJGAKIZRLN-VQTJNVASSA-N 2 2 399.570 3.998 20 0 GHADLP CN(C(=O)CC1CCC(F)(F)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000626261698 931795580 /nfs/dbraw/zinc/79/55/80/931795580.db2.gz HMAFDJGAKIZRLN-VQTJNVASSA-N 2 2 399.570 3.998 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(OC(F)F)cc1OC(F)F ZINC000925779782 931901420 /nfs/dbraw/zinc/90/14/20/931901420.db2.gz PKRHUHYQJDBXPS-NXEZZACHSA-N 2 2 386.336 3.785 20 0 GHADLP Brc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)c2cccnc2)cc1 ZINC000925814979 931912155 /nfs/dbraw/zinc/91/21/55/931912155.db2.gz RQYICEBWAJPZJP-IEBWSBKVSA-N 2 2 383.293 3.735 20 0 GHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798401234 932631659 /nfs/dbraw/zinc/63/16/59/932631659.db2.gz MEOHUZOSOGZILH-JOCHJYFZSA-N 2 2 378.524 3.905 20 0 GHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798401234 932631666 /nfs/dbraw/zinc/63/16/66/932631666.db2.gz MEOHUZOSOGZILH-JOCHJYFZSA-N 2 2 378.524 3.905 20 0 GHADLP CCOc1ccc(C(=O)CCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001116067021 933315784 /nfs/dbraw/zinc/31/57/84/933315784.db2.gz DGQSGSYIJFWXBS-UHFFFAOYSA-N 2 2 378.432 3.576 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccc(F)c(Br)c1 ZINC001116071115 933318190 /nfs/dbraw/zinc/31/81/90/933318190.db2.gz QPTDPINTWPEVEW-UHFFFAOYSA-N 2 2 389.228 3.659 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001116144384 933360879 /nfs/dbraw/zinc/36/08/79/933360879.db2.gz UEPKGQZGTYEMOT-UHFFFAOYSA-N 2 2 392.850 3.976 20 0 GHADLP O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001116396371 933533327 /nfs/dbraw/zinc/53/33/27/933533327.db2.gz AYRBSLWVRBGRPA-MRXNPFEDSA-N 2 2 396.318 3.705 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(F)c(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000560892776 933659208 /nfs/dbraw/zinc/65/92/08/933659208.db2.gz OHAXOCRYNXOBJW-GDBMZVCRSA-N 2 2 391.437 3.685 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(F)c(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000560892776 933659215 /nfs/dbraw/zinc/65/92/15/933659215.db2.gz OHAXOCRYNXOBJW-GDBMZVCRSA-N 2 2 391.437 3.685 20 0 GHADLP CC[NH+]1CC[C@H]([NH+](C)CC[C@@H](C)CC[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC001117992954 934072631 /nfs/dbraw/zinc/07/26/31/934072631.db2.gz JMHPLCZQBMWPRC-QXHWAKKDSA-N 4 2 394.692 3.727 20 0 GHADLP CC[NH+]1CC[C@H]([NH+](C)CC[C@@H](C)CC[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC001117992954 934072641 /nfs/dbraw/zinc/07/26/41/934072641.db2.gz JMHPLCZQBMWPRC-QXHWAKKDSA-N 4 2 394.692 3.727 20 0 GHADLP CC[NH+]1CC[C@H]([NH+](C)CC[C@@H](C)CC[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)[C@H](C)C1 ZINC001117992954 934072649 /nfs/dbraw/zinc/07/26/49/934072649.db2.gz JMHPLCZQBMWPRC-QXHWAKKDSA-N 4 2 394.692 3.727 20 0 GHADLP CC[NH+]1CC[C@H]([NH+](C)CC[C@@H](C)CC[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)[C@H](C)C1 ZINC001117992954 934072654 /nfs/dbraw/zinc/07/26/54/934072654.db2.gz JMHPLCZQBMWPRC-QXHWAKKDSA-N 2 2 394.692 3.727 20 0 GHADLP COC(=O)c1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001137787564 935790377 /nfs/dbraw/zinc/79/03/77/935790377.db2.gz KZMHEUJCXCILIR-WWPVKYPJSA-N 2 2 393.531 3.601 20 0 GHADLP COC(=O)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001137787564 935790379 /nfs/dbraw/zinc/79/03/79/935790379.db2.gz KZMHEUJCXCILIR-WWPVKYPJSA-N 2 2 393.531 3.601 20 0 GHADLP COC(=O)c1ccccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001137787564 935790380 /nfs/dbraw/zinc/79/03/80/935790380.db2.gz KZMHEUJCXCILIR-WWPVKYPJSA-N 2 2 393.531 3.601 20 0 GHADLP COC(=O)c1ccccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001137787564 935790383 /nfs/dbraw/zinc/79/03/83/935790383.db2.gz KZMHEUJCXCILIR-WWPVKYPJSA-N 2 2 393.531 3.601 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc(F)cc(C(F)(F)F)c4)C[C@@H]3C2)cn1 ZINC001137861215 935831125 /nfs/dbraw/zinc/83/11/25/935831125.db2.gz AELFCVMVLPWZFZ-SJORKVTESA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc(F)cc(C(F)(F)F)c4)C[C@@H]3C2)cn1 ZINC001137861215 935831129 /nfs/dbraw/zinc/83/11/29/935831129.db2.gz AELFCVMVLPWZFZ-SJORKVTESA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc(F)cc(C(F)(F)F)c4)C[C@@H]3C2)cn1 ZINC001137861215 935831132 /nfs/dbraw/zinc/83/11/32/935831132.db2.gz AELFCVMVLPWZFZ-SJORKVTESA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc(F)cc(C(F)(F)F)c4)C[C@@H]3C2)cn1 ZINC001137861215 935831136 /nfs/dbraw/zinc/83/11/36/935831136.db2.gz AELFCVMVLPWZFZ-SJORKVTESA-N 2 2 396.432 3.532 20 0 GHADLP C[NH+](C)CC1(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCCC1 ZINC000545440009 1015873591 /nfs/dbraw/zinc/87/35/91/1015873591.db2.gz CRKFLMPKYCDBEF-UHFFFAOYSA-N 2 2 393.535 3.845 20 0 GHADLP Clc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1Br ZINC000469088954 1016454028 /nfs/dbraw/zinc/45/40/28/1016454028.db2.gz VSRSBDAAQLSOLW-UHFFFAOYSA-N 2 2 387.749 3.647 20 0 GHADLP Fc1ccc(COc2ccc[nH+]c2NC[C@H]2CCC3(CC[NH2+]CC3)CO2)cc1 ZINC001155382887 1032526231 /nfs/dbraw/zinc/52/62/31/1032526231.db2.gz KBJHBLMOUULTKN-LJQANCHMSA-N 2 2 385.483 3.760 20 0 GHADLP Clc1cccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1Cl ZINC001204183289 1032635809 /nfs/dbraw/zinc/63/58/09/1032635809.db2.gz UDVMBCABSVPPMS-UHFFFAOYSA-N 2 2 379.335 3.844 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000562064469 1018025076 /nfs/dbraw/zinc/02/50/76/1018025076.db2.gz LOOJRAFXVGMCMG-JPYJTQIMSA-N 2 2 375.520 3.829 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000562064469 1018025092 /nfs/dbraw/zinc/02/50/92/1018025092.db2.gz LOOJRAFXVGMCMG-JPYJTQIMSA-N 2 2 375.520 3.829 20 0 GHADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccccc1OCc1ccccc1 ZINC001204331575 1032775017 /nfs/dbraw/zinc/77/50/17/1032775017.db2.gz JMRVRGKKCGJGBM-UHFFFAOYSA-N 2 2 384.520 3.582 20 0 GHADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1OCc1ccccc1 ZINC001204331575 1032775037 /nfs/dbraw/zinc/77/50/37/1032775037.db2.gz JMRVRGKKCGJGBM-UHFFFAOYSA-N 2 2 384.520 3.582 20 0 GHADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000568195217 1019382224 /nfs/dbraw/zinc/38/22/24/1019382224.db2.gz XHQLJOYYSTYRBU-LJQANCHMSA-N 2 2 381.524 3.834 20 0 GHADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000568195217 1019382241 /nfs/dbraw/zinc/38/22/41/1019382241.db2.gz XHQLJOYYSTYRBU-LJQANCHMSA-N 2 2 381.524 3.834 20 0 GHADLP COC(=O)c1c(C[N@@H+]2CCC[C@@H](C[NH3+])C2)nc2ccccc2c1-c1ccccc1 ZINC000575401901 1019938068 /nfs/dbraw/zinc/93/80/68/1019938068.db2.gz RWOZBLYLFIAQHA-KRWDZBQOSA-N 2 2 389.499 3.859 20 0 GHADLP COC(=O)c1c(C[N@H+]2CCC[C@@H](C[NH3+])C2)nc2ccccc2c1-c1ccccc1 ZINC000575401901 1019938070 /nfs/dbraw/zinc/93/80/70/1019938070.db2.gz RWOZBLYLFIAQHA-KRWDZBQOSA-N 2 2 389.499 3.859 20 0 GHADLP FC(F)(F)Oc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001204433386 1032868848 /nfs/dbraw/zinc/86/88/48/1032868848.db2.gz WJEKKQXUTIIUAK-CALCHBBNSA-N 2 2 377.410 3.544 20 0 GHADLP FC(F)(F)Oc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001204433386 1032868870 /nfs/dbraw/zinc/86/88/70/1032868870.db2.gz WJEKKQXUTIIUAK-CALCHBBNSA-N 2 2 377.410 3.544 20 0 GHADLP FC(F)(F)Oc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001204433386 1032868884 /nfs/dbraw/zinc/86/88/84/1032868884.db2.gz WJEKKQXUTIIUAK-CALCHBBNSA-N 2 2 377.410 3.544 20 0 GHADLP FC(F)(F)Oc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001204433386 1032868899 /nfs/dbraw/zinc/86/88/99/1032868899.db2.gz WJEKKQXUTIIUAK-CALCHBBNSA-N 2 2 377.410 3.544 20 0 GHADLP [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000577059031 1020114817 /nfs/dbraw/zinc/11/48/17/1020114817.db2.gz CHAABMVVBSVAPA-DLBZAZTESA-N 2 2 384.549 3.548 20 0 GHADLP [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000577059031 1020114825 /nfs/dbraw/zinc/11/48/25/1020114825.db2.gz CHAABMVVBSVAPA-DLBZAZTESA-N 2 2 384.549 3.548 20 0 GHADLP Cc1ccc(N2CC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2=O)cc1 ZINC000779438002 1020788238 /nfs/dbraw/zinc/78/82/38/1020788238.db2.gz JBGFQQCWKRBFTL-CAUSLRQDSA-N 2 2 389.543 3.886 20 0 GHADLP Cc1ccc(N2CC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2=O)cc1 ZINC000779438002 1020788245 /nfs/dbraw/zinc/78/82/45/1020788245.db2.gz JBGFQQCWKRBFTL-CAUSLRQDSA-N 2 2 389.543 3.886 20 0 GHADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000654598683 1021279966 /nfs/dbraw/zinc/27/99/66/1021279966.db2.gz AMSPAIVWDXOOEG-CQSZACIVSA-N 2 2 397.350 3.876 20 0 GHADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000654598683 1021279978 /nfs/dbraw/zinc/27/99/78/1021279978.db2.gz AMSPAIVWDXOOEG-CQSZACIVSA-N 2 2 397.350 3.876 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000834586137 1021282668 /nfs/dbraw/zinc/28/26/68/1021282668.db2.gz ZBEHTNKRKWRKAN-OJJQZRKESA-N 3 2 397.607 3.663 20 0 GHADLP CC(C)c1cccc(-c2ccc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)o2)c1 ZINC000678964162 1021946069 /nfs/dbraw/zinc/94/60/69/1021946069.db2.gz KVVSRVAGRPSNAI-FQEVSTJZSA-N 2 2 395.547 3.968 20 0 GHADLP CC(C)c1cccc(-c2ccc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)o2)c1 ZINC000678964162 1021946075 /nfs/dbraw/zinc/94/60/75/1021946075.db2.gz KVVSRVAGRPSNAI-FQEVSTJZSA-N 2 2 395.547 3.968 20 0 GHADLP Oc1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)ccc1OC(F)F ZINC001140626115 1022104625 /nfs/dbraw/zinc/10/46/25/1022104625.db2.gz QVISWXKBFGVTOH-GJZGRUSLSA-N 2 2 380.460 3.619 20 0 GHADLP Fc1ccccc1COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000681405694 1022287446 /nfs/dbraw/zinc/28/74/46/1022287446.db2.gz XGEIFGZXFMGMHB-UHFFFAOYSA-N 2 2 378.451 3.517 20 0 GHADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCc2c(c(COCC3CC3)nn2CC2CC2)C1 ZINC001140801298 1022569539 /nfs/dbraw/zinc/56/95/39/1022569539.db2.gz JEOCCSLVPDEMLK-UHFFFAOYSA-N 2 2 391.519 3.654 20 0 GHADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCc2c(c(COCC3CC3)nn2CC2CC2)C1 ZINC001140801298 1022569544 /nfs/dbraw/zinc/56/95/44/1022569544.db2.gz JEOCCSLVPDEMLK-UHFFFAOYSA-N 2 2 391.519 3.654 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3C)CC2)nc(C)[nH+]1 ZINC001140963687 1023021623 /nfs/dbraw/zinc/02/16/23/1023021623.db2.gz CWFHMGJQMRVCRK-UHFFFAOYSA-N 2 2 380.414 3.623 20 0 GHADLP COC1CC[NH+](C2CC[NH+](Cc3ccc(OC(F)(F)F)cc3C)CC2)CC1 ZINC001140966452 1023027902 /nfs/dbraw/zinc/02/79/02/1023027902.db2.gz XMTICCIEUCMDEK-UHFFFAOYSA-N 2 2 386.458 3.969 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)c(O)c(F)c1)CC2 ZINC001140988868 1023093953 /nfs/dbraw/zinc/09/39/53/1023093953.db2.gz PAHKGZAHHBKOAR-MRXNPFEDSA-N 2 2 392.446 3.519 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)c(O)c(F)c1)CC2 ZINC001140988868 1023093966 /nfs/dbraw/zinc/09/39/66/1023093966.db2.gz PAHKGZAHHBKOAR-MRXNPFEDSA-N 2 2 392.446 3.519 20 0 GHADLP CN(C(=O)/C=C\c1ccccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755216029 1023132110 /nfs/dbraw/zinc/13/21/10/1023132110.db2.gz ZFXSHTQMUKCHPD-VRZGSEDFSA-N 2 2 387.543 3.635 20 0 GHADLP CN(C(=O)/C=C\c1ccccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755216029 1023132117 /nfs/dbraw/zinc/13/21/17/1023132117.db2.gz ZFXSHTQMUKCHPD-VRZGSEDFSA-N 2 2 387.543 3.635 20 0 GHADLP CN(C(=O)NC[C@@H]1CCCC1(C)C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001228897200 1033166113 /nfs/dbraw/zinc/16/61/13/1033166113.db2.gz WOYXCCSHTRHCAB-CEWLAPEOSA-N 2 2 392.632 3.791 20 0 GHADLP CN(C(=O)NC[C@@H]1CCCC1(C)C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001228897200 1033166121 /nfs/dbraw/zinc/16/61/21/1033166121.db2.gz WOYXCCSHTRHCAB-CEWLAPEOSA-N 2 2 392.632 3.791 20 0 GHADLP COc1ccc2nccc(C[NH+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@H]4C3)c2c1 ZINC001141148446 1023970537 /nfs/dbraw/zinc/97/05/37/1023970537.db2.gz RWRKYQUNWJDOOG-QZTJIDSGSA-N 2 2 379.529 3.869 20 0 GHADLP C[C@@H](NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001138141304 1024218704 /nfs/dbraw/zinc/21/87/04/1024218704.db2.gz BYFDHJREWPPECG-ZRNYENFQSA-N 2 2 384.568 3.822 20 0 GHADLP C[C@@H](NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001138141304 1024218723 /nfs/dbraw/zinc/21/87/23/1024218723.db2.gz BYFDHJREWPPECG-ZRNYENFQSA-N 2 2 384.568 3.822 20 0 GHADLP CN1C(=O)C2(CC[NH+](Cc3cccc(-n4cc[nH+]c4)c3)CC2)[C@H]1c1ccccc1 ZINC001141242174 1024244904 /nfs/dbraw/zinc/24/49/04/1024244904.db2.gz RMGNKFAFHLYJSW-JOCHJYFZSA-N 2 2 386.499 3.668 20 0 GHADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831522175 1024616263 /nfs/dbraw/zinc/61/62/63/1024616263.db2.gz CKMKEMAVTJCBBL-VAMGGRTRSA-N 2 2 389.902 3.819 20 0 GHADLP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831522175 1024616269 /nfs/dbraw/zinc/61/62/69/1024616269.db2.gz CKMKEMAVTJCBBL-VAMGGRTRSA-N 2 2 389.902 3.819 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3c[nH]c4c3cccc4CC)CC2)CC1 ZINC001138360564 1024723927 /nfs/dbraw/zinc/72/39/27/1024723927.db2.gz FJVIUIDPIGFQCX-UHFFFAOYSA-N 2 2 397.563 3.970 20 0 GHADLP COc1ncc(Br)cc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001138522969 1024962696 /nfs/dbraw/zinc/96/26/96/1024962696.db2.gz RBFIPWRVYLKNCE-UHFFFAOYSA-N 2 2 382.346 3.692 20 0 GHADLP COc1ncc(Br)cc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001138522969 1024962701 /nfs/dbraw/zinc/96/27/01/1024962701.db2.gz RBFIPWRVYLKNCE-UHFFFAOYSA-N 2 2 382.346 3.692 20 0 GHADLP CCOC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)Cc2c1cnn2CC ZINC001138542955 1024985572 /nfs/dbraw/zinc/98/55/72/1024985572.db2.gz KJOANSMEAPGTLZ-LJQANCHMSA-N 2 2 379.508 3.533 20 0 GHADLP CCOC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)Cc2c1cnn2CC ZINC001138542955 1024985576 /nfs/dbraw/zinc/98/55/76/1024985576.db2.gz KJOANSMEAPGTLZ-LJQANCHMSA-N 2 2 379.508 3.533 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3ccc(C(F)(F)F)nn3)CC2)c2ccccc2[nH+]1 ZINC001141486121 1025211907 /nfs/dbraw/zinc/21/19/07/1025211907.db2.gz CVOPKZJTHKDPNJ-UHFFFAOYSA-N 2 2 387.409 3.674 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4ccc5occc5c4)CC[C@@H]3C2)cs1 ZINC001138822247 1025427056 /nfs/dbraw/zinc/42/70/56/1025427056.db2.gz YFWREGHHHYBMER-DENIHFKCSA-N 2 2 397.544 3.921 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4ccc5occc5c4)CC[C@@H]3C2)cs1 ZINC001138822247 1025427071 /nfs/dbraw/zinc/42/70/71/1025427071.db2.gz YFWREGHHHYBMER-DENIHFKCSA-N 2 2 397.544 3.921 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4ccc5occc5c4)CC[C@@H]3C2)cs1 ZINC001138822247 1025427078 /nfs/dbraw/zinc/42/70/78/1025427078.db2.gz YFWREGHHHYBMER-DENIHFKCSA-N 2 2 397.544 3.921 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4ccc5occc5c4)CC[C@@H]3C2)cs1 ZINC001138822247 1025427098 /nfs/dbraw/zinc/42/70/98/1025427098.db2.gz YFWREGHHHYBMER-DENIHFKCSA-N 2 2 397.544 3.921 20 0 GHADLP CCCCOc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)OC)C3)CC2)c1 ZINC001138957458 1025654762 /nfs/dbraw/zinc/65/47/62/1025654762.db2.gz FZECDLJNZKTCBN-FQEVSTJZSA-N 2 2 388.552 3.715 20 0 GHADLP CCCCOc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)OC)C3)CC2)c1 ZINC001138957458 1025654770 /nfs/dbraw/zinc/65/47/70/1025654770.db2.gz FZECDLJNZKTCBN-FQEVSTJZSA-N 2 2 388.552 3.715 20 0 GHADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCN(C(=O)OCC(C)C)CC1)Cc1ccccc1 ZINC001461030730 1069348039 /nfs/dbraw/zinc/34/80/39/1069348039.db2.gz RPIYMYYNPKPVKL-JOCHJYFZSA-N 2 2 389.584 3.786 20 0 GHADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139360707 1026234106 /nfs/dbraw/zinc/23/41/06/1026234106.db2.gz DUNFQOBWEZTLGL-LJQANCHMSA-N 2 2 384.524 3.951 20 0 GHADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139360707 1026234120 /nfs/dbraw/zinc/23/41/20/1026234120.db2.gz DUNFQOBWEZTLGL-LJQANCHMSA-N 2 2 384.524 3.951 20 0 GHADLP Cc1cccc(N2CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC2)[nH+]1 ZINC001163659665 1026270187 /nfs/dbraw/zinc/27/01/87/1026270187.db2.gz IDGHTLCENBCSRH-UHFFFAOYSA-N 2 2 399.542 3.670 20 0 GHADLP Cc1cccc(N2CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC2)[nH+]1 ZINC001163659665 1026270197 /nfs/dbraw/zinc/27/01/97/1026270197.db2.gz IDGHTLCENBCSRH-UHFFFAOYSA-N 2 2 399.542 3.670 20 0 GHADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC001139509951 1026363707 /nfs/dbraw/zinc/36/37/07/1026363707.db2.gz NQKCKLNUGIUHAU-UHFFFAOYSA-N 2 2 397.538 3.759 20 0 GHADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC001139509951 1026363721 /nfs/dbraw/zinc/36/37/21/1026363721.db2.gz NQKCKLNUGIUHAU-UHFFFAOYSA-N 2 2 397.538 3.759 20 0 GHADLP C[NH+](C)C1(CNc2ncnc3cc(-c4ccc(F)cc4)sc32)CC[NH+](C)CC1 ZINC001164211200 1026453157 /nfs/dbraw/zinc/45/31/57/1026453157.db2.gz NIHPZPHCHYDPKV-UHFFFAOYSA-N 2 2 399.539 3.935 20 0 GHADLP C[NH+]1CC2(C1)CC[NH+](Cc1c(Br)cccc1Br)CC2 ZINC001139601208 1026464038 /nfs/dbraw/zinc/46/40/38/1026464038.db2.gz HQWZZLDEYCNOEA-UHFFFAOYSA-N 2 2 388.147 3.739 20 0 GHADLP CCOc1ccc(C)cc1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001139604082 1026468390 /nfs/dbraw/zinc/46/83/90/1026468390.db2.gz NJUQMDMZKDONOE-UHFFFAOYSA-N 2 2 382.552 3.634 20 0 GHADLP CC1(C)c2c[nH+]c(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)cc2NC1=O ZINC001164483529 1026524411 /nfs/dbraw/zinc/52/44/11/1026524411.db2.gz BZIGYSOCPKYNDS-ZHALLVOQSA-N 2 2 376.504 3.634 20 0 GHADLP CC1(C)c2c[nH+]c(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)cc2NC1=O ZINC001164483529 1026524414 /nfs/dbraw/zinc/52/44/14/1026524414.db2.gz BZIGYSOCPKYNDS-ZHALLVOQSA-N 2 2 376.504 3.634 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cc4ccccc4n2C)CC3)cn1 ZINC001139871207 1026687781 /nfs/dbraw/zinc/68/77/81/1026687781.db2.gz UMUJBGQOXCBJSA-UHFFFAOYSA-N 2 2 377.536 3.542 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cc4ccccc4n2C)CC3)cn1 ZINC001139871207 1026687789 /nfs/dbraw/zinc/68/77/89/1026687789.db2.gz UMUJBGQOXCBJSA-UHFFFAOYSA-N 2 2 377.536 3.542 20 0 GHADLP Brc1cccc2c([C@@H]3CN(c4[nH+]ccc5[nH]ccc54)CCO3)[nH+]cn21 ZINC001165318266 1026702720 /nfs/dbraw/zinc/70/27/20/1026702720.db2.gz IIHXWELAHDJNNG-HNNXBMFYSA-N 2 2 398.264 3.551 20 0 GHADLP Cc1c[nH+]c(N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)nc1NC1CC1 ZINC001166495263 1027014437 /nfs/dbraw/zinc/01/44/37/1027014437.db2.gz IAVCCJZTXANNHG-UHFFFAOYSA-N 2 2 386.459 3.871 20 0 GHADLP CCOC(=O)N[C@@H]1CCC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001167017179 1027201018 /nfs/dbraw/zinc/20/10/18/1027201018.db2.gz XEAQFAUCEPBIBM-JOCHJYFZSA-N 2 2 387.568 3.542 20 0 GHADLP CCOC(=O)N[C@@H]1CCC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001167017179 1027201038 /nfs/dbraw/zinc/20/10/38/1027201038.db2.gz XEAQFAUCEPBIBM-JOCHJYFZSA-N 2 2 387.568 3.542 20 0 GHADLP CCC[N@@H+]1CCc2c(N)sc(Nc3ccccc3C[NH+]3CCOCC3)c2C1 ZINC001209927530 1027280156 /nfs/dbraw/zinc/28/01/56/1027280156.db2.gz URTZWHMMICCRPX-UHFFFAOYSA-N 2 2 386.565 3.674 20 0 GHADLP CCC[N@H+]1CCc2c(N)sc(Nc3ccccc3C[NH+]3CCOCC3)c2C1 ZINC001209927530 1027280172 /nfs/dbraw/zinc/28/01/72/1027280172.db2.gz URTZWHMMICCRPX-UHFFFAOYSA-N 2 2 386.565 3.674 20 0 GHADLP C[NH+]1CCC(COc2ccc(Nc3ccccc3C[NH+]3CCOCC3)cc2)CC1 ZINC001209933741 1027284910 /nfs/dbraw/zinc/28/49/10/1027284910.db2.gz ZTADZTOBHOQBEQ-UHFFFAOYSA-N 2 2 395.547 3.983 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(OC)c1 ZINC001203479568 1027369669 /nfs/dbraw/zinc/36/96/69/1027369669.db2.gz ZGWCVADDVVLDLD-OFAXGOBFSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(OC)c1 ZINC001203479568 1027369685 /nfs/dbraw/zinc/36/96/85/1027369685.db2.gz ZGWCVADDVVLDLD-OFAXGOBFSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(OC)c1 ZINC001203479568 1027369703 /nfs/dbraw/zinc/36/97/03/1027369703.db2.gz ZGWCVADDVVLDLD-OFAXGOBFSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(OC)c1 ZINC001203479568 1027369722 /nfs/dbraw/zinc/36/97/22/1027369722.db2.gz ZGWCVADDVVLDLD-OFAXGOBFSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc2c(Nc3cccc(OCC[NH+]4CCOCC4)c3)cc[nH+]c2c1 ZINC001203526481 1027406367 /nfs/dbraw/zinc/40/63/67/1027406367.db2.gz ZFMSTKBGYJOQDN-UHFFFAOYSA-N 2 2 379.460 3.698 20 0 GHADLP C[NH2+]Cc1ccc(Nc2cc[nH+]c3ccc(I)cc23)cc1 ZINC001211130611 1027801571 /nfs/dbraw/zinc/80/15/71/1027801571.db2.gz TXCRWWZECAZOPB-UHFFFAOYSA-N 2 2 389.240 3.724 20 0 GHADLP Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000841065536 1028084243 /nfs/dbraw/zinc/08/42/43/1028084243.db2.gz ZRRYOLFSADTTPF-MEDUHNTESA-N 2 2 386.849 3.941 20 0 GHADLP Cc1cc(C)c(Nc2cc3cccc4c3c(c2)C(=O)N(CC[NH+](C)C)C4=O)c[nH+]1 ZINC001213518467 1028238734 /nfs/dbraw/zinc/23/87/34/1028238734.db2.gz PXEKUPJNNHMCQH-UHFFFAOYSA-N 2 2 388.471 3.753 20 0 GHADLP COC1CC[NH+](C2CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC2)CC1 ZINC001142204585 1028358011 /nfs/dbraw/zinc/35/80/11/1028358011.db2.gz GVCQDDYDECHXHM-UHFFFAOYSA-N 2 2 388.552 3.717 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1Nc1c[nH+]ccc1N1CCCCC1 ZINC001215547941 1029272199 /nfs/dbraw/zinc/27/21/99/1029272199.db2.gz YGBYDSROQWBFES-UHFFFAOYSA-N 2 2 382.508 3.656 20 0 GHADLP Cc1nc(Nc2ccc(C[NH2+]CC(C)C)cc2)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001215744552 1029377638 /nfs/dbraw/zinc/37/76/38/1029377638.db2.gz XPOQQSKUYNIYIL-IAGOWNOFSA-N 2 2 383.540 3.888 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1C ZINC001142757126 1029383019 /nfs/dbraw/zinc/38/30/19/1029383019.db2.gz GMLNRHYZFIQWAH-FQEVSTJZSA-N 2 2 393.531 3.626 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1C ZINC001142757126 1029383031 /nfs/dbraw/zinc/38/30/31/1029383031.db2.gz GMLNRHYZFIQWAH-FQEVSTJZSA-N 2 2 393.531 3.626 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4c(cn3)OCCO4)C[C@@H]21 ZINC001143059130 1029818347 /nfs/dbraw/zinc/81/83/47/1029818347.db2.gz ZATUJWBJIQZXIQ-LSTHTHJFSA-N 2 2 399.560 3.647 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4c(cn3)OCCO4)C[C@@H]21 ZINC001143059130 1029818354 /nfs/dbraw/zinc/81/83/54/1029818354.db2.gz ZATUJWBJIQZXIQ-LSTHTHJFSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4c(cn3)OCCO4)C[C@@H]21 ZINC001143059130 1029818363 /nfs/dbraw/zinc/81/83/63/1029818363.db2.gz ZATUJWBJIQZXIQ-LSTHTHJFSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cn3)OCCO4)C[C@@H]21 ZINC001143059130 1029818365 /nfs/dbraw/zinc/81/83/65/1029818365.db2.gz ZATUJWBJIQZXIQ-LSTHTHJFSA-N 2 2 399.560 3.647 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c(OC)cc1Br ZINC001222314477 1030064550 /nfs/dbraw/zinc/06/45/50/1030064550.db2.gz GMEAEHFINFVASS-GOSISDBHSA-N 2 2 383.330 3.574 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(OC)cc1Br ZINC001222314477 1030064555 /nfs/dbraw/zinc/06/45/55/1030064555.db2.gz GMEAEHFINFVASS-GOSISDBHSA-N 2 2 383.330 3.574 20 0 GHADLP Cn1c2ccccc2c(C[N@@H+]2CCO[C@]3(CCC[NH2+]C3)C2)c1-c1ccccc1 ZINC001222369565 1030093568 /nfs/dbraw/zinc/09/35/68/1030093568.db2.gz YDVRKQFKYHXNDM-DEOSSOPVSA-N 2 2 375.516 3.800 20 0 GHADLP Cn1c2ccccc2c(C[N@H+]2CCO[C@]3(CCC[NH2+]C3)C2)c1-c1ccccc1 ZINC001222369565 1030093575 /nfs/dbraw/zinc/09/35/75/1030093575.db2.gz YDVRKQFKYHXNDM-DEOSSOPVSA-N 2 2 375.516 3.800 20 0 GHADLP Oc1cc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)ccc1F ZINC001222591307 1030218291 /nfs/dbraw/zinc/21/82/91/1030218291.db2.gz UJVMIEWIDLZGMD-FQEVSTJZSA-N 2 2 384.495 3.835 20 0 GHADLP Oc1cc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)ccc1F ZINC001222591307 1030218303 /nfs/dbraw/zinc/21/83/03/1030218303.db2.gz UJVMIEWIDLZGMD-FQEVSTJZSA-N 2 2 384.495 3.835 20 0 GHADLP C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461658260 1069662567 /nfs/dbraw/zinc/66/25/67/1069662567.db2.gz VZCNPCZJEQYVGP-HKUYNNGSSA-N 2 2 375.557 3.885 20 0 GHADLP C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461658260 1069662573 /nfs/dbraw/zinc/66/25/73/1069662573.db2.gz VZCNPCZJEQYVGP-HKUYNNGSSA-N 2 2 375.557 3.885 20 0 GHADLP CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001223748892 1030736821 /nfs/dbraw/zinc/73/68/21/1030736821.db2.gz QFPAWFIHDWUZFE-NRFANRHFSA-N 2 2 391.519 3.530 20 0 GHADLP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001223748892 1030736835 /nfs/dbraw/zinc/73/68/35/1030736835.db2.gz QFPAWFIHDWUZFE-NRFANRHFSA-N 2 2 391.519 3.530 20 0 GHADLP [NH3+]C1CC[NH+](Cc2ccccc2O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)CC1 ZINC001218390251 1030916635 /nfs/dbraw/zinc/91/66/35/1030916635.db2.gz GYAHMOFVQPUSGJ-QFIPXVFZSA-N 3 2 397.538 3.792 20 0 GHADLP [NH3+]C1CC[NH+](Cc2ccccc2O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC001218390251 1030916642 /nfs/dbraw/zinc/91/66/42/1030916642.db2.gz GYAHMOFVQPUSGJ-QFIPXVFZSA-N 3 2 397.538 3.792 20 0 GHADLP CC1([NH+]2CCCC2)CCC(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC001224616626 1031061025 /nfs/dbraw/zinc/06/10/25/1031061025.db2.gz WIJXKHVGVXVHAD-UHFFFAOYSA-N 2 2 399.514 3.608 20 0 GHADLP COc1ccccc1C1(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CC[NH2+]CC1 ZINC001218812730 1031090073 /nfs/dbraw/zinc/09/00/73/1031090073.db2.gz XXEUDMZQWGIKTK-UHFFFAOYSA-N 2 2 390.487 3.531 20 0 GHADLP CCc1cc(Oc2cccc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)c2)ccc1Cl ZINC001219230831 1031316546 /nfs/dbraw/zinc/31/65/46/1031316546.db2.gz YBCQGIRTJDUUAN-FQEVSTJZSA-N 2 2 398.894 3.937 20 0 GHADLP COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)C(=O)c2c[nH]c3cc[nH+]cc32)cc1 ZINC001152977508 1031416117 /nfs/dbraw/zinc/41/61/17/1031416117.db2.gz RZVYDDPMMAKXLS-SFHVURJKSA-N 2 2 392.503 3.698 20 0 GHADLP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)C(=O)c2c[nH]c3cc[nH+]cc32)cc1 ZINC001152977508 1031416124 /nfs/dbraw/zinc/41/61/24/1031416124.db2.gz RZVYDDPMMAKXLS-SFHVURJKSA-N 2 2 392.503 3.698 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2CNc2[nH+]c3cc(F)ccc3n2C)CC1 ZINC001461821862 1069772240 /nfs/dbraw/zinc/77/22/40/1069772240.db2.gz GPXYTLDEOAJVPG-UHFFFAOYSA-N 2 2 381.499 3.857 20 0 GHADLP C[NH2+]Cc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)cc1 ZINC001220534450 1031980601 /nfs/dbraw/zinc/98/06/01/1031980601.db2.gz YSGKGJYDPLQFHC-SFHVURJKSA-N 2 2 380.319 3.746 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C[C@@H]1C[NH3+] ZINC001205319309 1033357915 /nfs/dbraw/zinc/35/79/15/1033357915.db2.gz YYPURDLFHDITJJ-JQWIXIFHSA-N 2 2 381.236 3.764 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C[C@@H]1C[NH3+] ZINC001205319309 1033357922 /nfs/dbraw/zinc/35/79/22/1033357922.db2.gz YYPURDLFHDITJJ-JQWIXIFHSA-N 2 2 381.236 3.764 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4sccc4Cl)CC[C@@H]3C2)cs1 ZINC001205333727 1033365273 /nfs/dbraw/zinc/36/52/73/1033365273.db2.gz OJUGIOYJTGWYCV-RHSMWYFYSA-N 2 2 397.997 3.889 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4sccc4Cl)CC[C@@H]3C2)cs1 ZINC001205333727 1033365278 /nfs/dbraw/zinc/36/52/78/1033365278.db2.gz OJUGIOYJTGWYCV-RHSMWYFYSA-N 2 2 397.997 3.889 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4sccc4Cl)CC[C@@H]3C2)cs1 ZINC001205333727 1033365286 /nfs/dbraw/zinc/36/52/86/1033365286.db2.gz OJUGIOYJTGWYCV-RHSMWYFYSA-N 2 2 397.997 3.889 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4sccc4Cl)CC[C@@H]3C2)cs1 ZINC001205333727 1033365291 /nfs/dbraw/zinc/36/52/91/1033365291.db2.gz OJUGIOYJTGWYCV-RHSMWYFYSA-N 2 2 397.997 3.889 20 0 GHADLP Cc1cccn2cc(CCNC(=O)N3CC[NH+](C(C)(C)CC(C)(C)C)CC3)[nH+]c12 ZINC001229431267 1033477878 /nfs/dbraw/zinc/47/78/78/1033477878.db2.gz GHHQVXZSFDPCDC-UHFFFAOYSA-N 2 2 399.583 3.727 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CC[N@H+](CC)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC001157550449 1033653037 /nfs/dbraw/zinc/65/30/37/1033653037.db2.gz YKYGSVVBGKLSGP-CRAIPNDOSA-N 2 2 385.474 3.641 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CC[N@@H+](CC)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC001157550449 1033653045 /nfs/dbraw/zinc/65/30/45/1033653045.db2.gz YKYGSVVBGKLSGP-CRAIPNDOSA-N 2 2 385.474 3.641 20 0 GHADLP Fc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001206014743 1033687826 /nfs/dbraw/zinc/68/78/26/1033687826.db2.gz QKUCJBRSYZXAHE-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001206014743 1033687832 /nfs/dbraw/zinc/68/78/32/1033687832.db2.gz QKUCJBRSYZXAHE-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1ccc(Cl)cc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001206014743 1033687842 /nfs/dbraw/zinc/68/78/42/1033687842.db2.gz QKUCJBRSYZXAHE-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1ccc(Cl)cc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001206014743 1033687845 /nfs/dbraw/zinc/68/78/45/1033687845.db2.gz QKUCJBRSYZXAHE-DYESRHJHSA-N 2 2 389.902 3.597 20 0 GHADLP C[C@@H]1CCN(C(=O)CC2=C(c3ccccc3)[NH2+]C(c3ccccc3)S2)C[C@@H]1[NH3+] ZINC001157792600 1033772551 /nfs/dbraw/zinc/77/25/51/1033772551.db2.gz BVDXMKIQXZOXBL-APWZRJJASA-N 2 2 392.548 3.815 20 0 GHADLP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cnc(Br)cc2Cl)CC1 ZINC001206749624 1033968517 /nfs/dbraw/zinc/96/85/17/1033968517.db2.gz JPCGRIFANSEZOW-UHFFFAOYSA-N 2 2 394.744 3.990 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)CC2)C1 ZINC001158259825 1033991380 /nfs/dbraw/zinc/99/13/80/1033991380.db2.gz VXDBSPMAAUVPDJ-OAQYLSRUSA-N 2 2 399.542 3.812 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)CC2)C1 ZINC001158259825 1033991388 /nfs/dbraw/zinc/99/13/88/1033991388.db2.gz VXDBSPMAAUVPDJ-OAQYLSRUSA-N 2 2 399.542 3.812 20 0 GHADLP CN(C)c1cc(N2CCC3(C[NH+](C(c4ccccc4)c4ccccc4)C3)C2)nc[nH+]1 ZINC001158418604 1034072412 /nfs/dbraw/zinc/07/24/12/1034072412.db2.gz VJEBECYYIUBFSW-UHFFFAOYSA-N 2 2 399.542 3.844 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC001207241044 1034205049 /nfs/dbraw/zinc/20/50/49/1034205049.db2.gz SQMCZOQMOVHSSE-KRWDZBQOSA-N 2 2 375.513 3.572 20 0 GHADLP COc1cc2c[nH+]c(N3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)cc2cc1OC ZINC001158629968 1034210394 /nfs/dbraw/zinc/21/03/94/1034210394.db2.gz YNINVBITPDVRAV-SFHVURJKSA-N 2 2 377.435 3.562 20 0 GHADLP CC(C)(O)CCCC1=CC[C@@H](C[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001207405773 1034345181 /nfs/dbraw/zinc/34/51/81/1034345181.db2.gz ODNDQDNKWAZKQX-LJQANCHMSA-N 2 2 398.551 3.945 20 0 GHADLP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001207405773 1034345193 /nfs/dbraw/zinc/34/51/93/1034345193.db2.gz ODNDQDNKWAZKQX-LJQANCHMSA-N 2 2 398.551 3.945 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2cc(N4CCSCC4)[nH+]cn2)C3)cc1 ZINC001159293424 1034527751 /nfs/dbraw/zinc/52/77/51/1034527751.db2.gz RVMAEMKQMPZDQJ-OWZKRDHZSA-N 2 2 395.576 3.637 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2cc(N4CCSCC4)[nH+]cn2)C3)cc1 ZINC001159293424 1034527763 /nfs/dbraw/zinc/52/77/63/1034527763.db2.gz RVMAEMKQMPZDQJ-OWZKRDHZSA-N 2 2 395.576 3.637 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2cc(N4CCSCC4)nc[nH+]2)C3)cc1 ZINC001159293424 1034527770 /nfs/dbraw/zinc/52/77/70/1034527770.db2.gz RVMAEMKQMPZDQJ-OWZKRDHZSA-N 2 2 395.576 3.637 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2cc(N4CCSCC4)nc[nH+]2)C3)cc1 ZINC001159293424 1034527780 /nfs/dbraw/zinc/52/77/80/1034527780.db2.gz RVMAEMKQMPZDQJ-OWZKRDHZSA-N 2 2 395.576 3.637 20 0 GHADLP C[C@@H]1C[C@@H](C[NH+]2CCC(c3c[nH+]cn3C)CC2)CCN1C(=O)OC(C)(C)C ZINC001207822466 1034600218 /nfs/dbraw/zinc/60/02/18/1034600218.db2.gz AIFMJOZCFQTETC-SJORKVTESA-N 2 2 376.545 3.635 20 0 GHADLP CCCc1cc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)nc(C)[nH+]1 ZINC001159460177 1034606292 /nfs/dbraw/zinc/60/62/92/1034606292.db2.gz CUFYPFPWZPXKBU-UHFFFAOYSA-N 3 2 377.536 3.647 20 0 GHADLP C[NH+](C)[C@H](CNc1cccc(N2CCOCC2)[nH+]1)c1ccc(Cl)cc1Cl ZINC001159516427 1034633144 /nfs/dbraw/zinc/63/31/44/1034633144.db2.gz VTMNYELBNUBCEG-QGZVFWFLSA-N 2 2 395.334 3.940 20 0 GHADLP CC1(C)OC[C@H](C[N@@H+]2CCC3(C[NH+](C(c4ccccc4)c4ccccc4)C3)C2)O1 ZINC001207930878 1034664444 /nfs/dbraw/zinc/66/44/44/1034664444.db2.gz CHFVUJKDAZFQOK-QFIPXVFZSA-N 2 2 392.543 3.935 20 0 GHADLP CC1(C)OC[C@H](C[N@H+]2CCC3(C[NH+](C(c4ccccc4)c4ccccc4)C3)C2)O1 ZINC001207930878 1034664461 /nfs/dbraw/zinc/66/44/61/1034664461.db2.gz CHFVUJKDAZFQOK-QFIPXVFZSA-N 2 2 392.543 3.935 20 0 GHADLP COc1cc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)[nH+]c2ccccc21 ZINC001159625344 1034693331 /nfs/dbraw/zinc/69/33/31/1034693331.db2.gz CLGFUYSDGDDDOC-MXVIHJGJSA-N 2 2 394.563 3.994 20 0 GHADLP COc1cc(N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)[nH+]c2ccccc21 ZINC001159625344 1034693338 /nfs/dbraw/zinc/69/33/38/1034693338.db2.gz CLGFUYSDGDDDOC-MXVIHJGJSA-N 2 2 394.563 3.994 20 0 GHADLP CCOc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)ccc1OCCCOC ZINC001231553047 1034706085 /nfs/dbraw/zinc/70/60/85/1034706085.db2.gz LSCWIRJZZFQKGR-UHFFFAOYSA-N 2 2 378.557 3.805 20 0 GHADLP CCOc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)ccc1OCCCOC ZINC001231553047 1034706091 /nfs/dbraw/zinc/70/60/91/1034706091.db2.gz LSCWIRJZZFQKGR-UHFFFAOYSA-N 2 2 378.557 3.805 20 0 GHADLP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Br)cc(C(F)(F)F)c1)CC2 ZINC001231585934 1034738427 /nfs/dbraw/zinc/73/84/27/1034738427.db2.gz BVAPWAQAUOOWFN-UHFFFAOYSA-N 2 2 377.248 3.996 20 0 GHADLP c1nc2n(c1C[NH+]1CCCCC1)CC[N@@H+](Cc1coc(-c3ccccc3)n1)CC2 ZINC001231631215 1034791398 /nfs/dbraw/zinc/79/13/98/1034791398.db2.gz OBDVYDCFXIVVQD-UHFFFAOYSA-N 2 2 391.519 3.582 20 0 GHADLP c1nc2n(c1C[NH+]1CCCCC1)CC[N@H+](Cc1coc(-c3ccccc3)n1)CC2 ZINC001231631215 1034791407 /nfs/dbraw/zinc/79/14/07/1034791407.db2.gz OBDVYDCFXIVVQD-UHFFFAOYSA-N 2 2 391.519 3.582 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC2)cc1 ZINC001160165989 1034886629 /nfs/dbraw/zinc/88/66/29/1034886629.db2.gz XOADTFCVMUVCPI-QHCPKHFHSA-N 2 2 385.596 3.965 20 0 GHADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC001208608076 1034952054 /nfs/dbraw/zinc/95/20/54/1034952054.db2.gz FSSGCVALPGTQRG-OAHLLOKOSA-N 2 2 379.342 3.686 20 0 GHADLP C[N@H+]1CCC[C@@H](C[NH+]2CCC(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC001208608076 1034952057 /nfs/dbraw/zinc/95/20/57/1034952057.db2.gz FSSGCVALPGTQRG-OAHLLOKOSA-N 2 2 379.342 3.686 20 0 GHADLP C[N@@H+]1CCC[C@H](C[NH+]2CCC(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC001208608074 1034952411 /nfs/dbraw/zinc/95/24/11/1034952411.db2.gz FSSGCVALPGTQRG-HNNXBMFYSA-N 2 2 379.342 3.686 20 0 GHADLP C[N@H+]1CCC[C@H](C[NH+]2CCC(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC001208608074 1034952413 /nfs/dbraw/zinc/95/24/13/1034952413.db2.gz FSSGCVALPGTQRG-HNNXBMFYSA-N 2 2 379.342 3.686 20 0 GHADLP C[N@H+](Cc1ccccc1)C1CC[NH+](CCOCCOCc2ccccc2)CC1 ZINC001208747229 1034995792 /nfs/dbraw/zinc/99/57/92/1034995792.db2.gz IICJHGKYZULVGQ-UHFFFAOYSA-N 2 2 382.548 3.816 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1CC[NH+](CCOCCOCc2ccccc2)CC1 ZINC001208747229 1034995799 /nfs/dbraw/zinc/99/57/99/1034995799.db2.gz IICJHGKYZULVGQ-UHFFFAOYSA-N 2 2 382.548 3.816 20 0 GHADLP COc1ccc(CC[N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)cc1OC ZINC001208762767 1035006193 /nfs/dbraw/zinc/00/61/93/1035006193.db2.gz XRXSEMDZMIHJKY-UHFFFAOYSA-N 2 2 386.511 3.982 20 0 GHADLP COc1ccc(CC[N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)cc1OC ZINC001208762767 1035006201 /nfs/dbraw/zinc/00/62/01/1035006201.db2.gz XRXSEMDZMIHJKY-UHFFFAOYSA-N 2 2 386.511 3.982 20 0 GHADLP CC(C)C1(C(=O)N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)CC[NH2+]CC1 ZINC001160595224 1035012875 /nfs/dbraw/zinc/01/28/75/1035012875.db2.gz IFKSQVYEZBPIJT-UHFFFAOYSA-N 2 2 385.596 3.654 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cccc3c[nH]nc31)CC2 ZINC001231973399 1035018145 /nfs/dbraw/zinc/01/81/45/1035018145.db2.gz RBRKQNZBKJYONO-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cccc3c[nH]nc31)CC2 ZINC001231973399 1035018153 /nfs/dbraw/zinc/01/81/53/1035018153.db2.gz RBRKQNZBKJYONO-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C(F)(F)F)cc3C)CC2)C1 ZINC001232004667 1035037241 /nfs/dbraw/zinc/03/72/41/1035037241.db2.gz DYYZMEIMXHRATK-KRWDZBQOSA-N 2 2 398.469 3.863 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C(F)(F)F)cc3C)CC2)C1 ZINC001232004667 1035037246 /nfs/dbraw/zinc/03/72/46/1035037246.db2.gz DYYZMEIMXHRATK-KRWDZBQOSA-N 2 2 398.469 3.863 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001232014438 1035044183 /nfs/dbraw/zinc/04/41/83/1035044183.db2.gz IGCJROOVEXLLAO-ODOSVJCGSA-N 3 2 375.520 3.690 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001232014438 1035044194 /nfs/dbraw/zinc/04/41/94/1035044194.db2.gz IGCJROOVEXLLAO-ODOSVJCGSA-N 3 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001232014438 1035044203 /nfs/dbraw/zinc/04/42/03/1035044203.db2.gz IGCJROOVEXLLAO-ODOSVJCGSA-N 3 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001232014438 1035044213 /nfs/dbraw/zinc/04/42/13/1035044213.db2.gz IGCJROOVEXLLAO-ODOSVJCGSA-N 2 2 375.520 3.690 20 0 GHADLP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001232014438 1035044226 /nfs/dbraw/zinc/04/42/26/1035044226.db2.gz IGCJROOVEXLLAO-ODOSVJCGSA-N 2 2 375.520 3.690 20 0 GHADLP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001232014438 1035044237 /nfs/dbraw/zinc/04/42/37/1035044237.db2.gz IGCJROOVEXLLAO-ODOSVJCGSA-N 2 2 375.520 3.690 20 0 GHADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](CCCc1ccccc1Cl)C2 ZINC001208872971 1035071198 /nfs/dbraw/zinc/07/11/98/1035071198.db2.gz UYLZNYBVNWVFPO-UHFFFAOYSA-N 2 2 375.948 3.610 20 0 GHADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](CCCc1ccccc1Cl)C2 ZINC001208872971 1035071201 /nfs/dbraw/zinc/07/12/01/1035071201.db2.gz UYLZNYBVNWVFPO-UHFFFAOYSA-N 2 2 375.948 3.610 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](CCCc1ccccc1Cl)C2 ZINC001208872971 1035071212 /nfs/dbraw/zinc/07/12/12/1035071212.db2.gz UYLZNYBVNWVFPO-UHFFFAOYSA-N 2 2 375.948 3.610 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](CCCc1ccccc1Cl)C2 ZINC001208872971 1035071224 /nfs/dbraw/zinc/07/12/24/1035071224.db2.gz UYLZNYBVNWVFPO-UHFFFAOYSA-N 2 2 375.948 3.610 20 0 GHADLP C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)N2C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160935141 1035098293 /nfs/dbraw/zinc/09/82/93/1035098293.db2.gz KUSOTYYMABZCAK-ARNLJNQMSA-N 2 2 383.495 3.662 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935710 1035102178 /nfs/dbraw/zinc/10/21/78/1035102178.db2.gz LWRQKDQALNWLTI-VSKRKVRLSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935710 1035102182 /nfs/dbraw/zinc/10/21/82/1035102182.db2.gz LWRQKDQALNWLTI-VSKRKVRLSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208935710 1035102187 /nfs/dbraw/zinc/10/21/87/1035102187.db2.gz LWRQKDQALNWLTI-VSKRKVRLSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208935710 1035102191 /nfs/dbraw/zinc/10/21/91/1035102191.db2.gz LWRQKDQALNWLTI-VSKRKVRLSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)NCC1(C)C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939557 1035108362 /nfs/dbraw/zinc/10/83/62/1035108362.db2.gz CORRATIAWKJENR-FQEVSTJZSA-N 2 2 387.568 3.745 20 0 GHADLP CC(C)(C)OC(=O)NCC1(C)C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939557 1035108363 /nfs/dbraw/zinc/10/83/63/1035108363.db2.gz CORRATIAWKJENR-FQEVSTJZSA-N 2 2 387.568 3.745 20 0 GHADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CC1=C(c2ccccc2)[NH2+]C(c2ccccc2)S1 ZINC001161526384 1035250827 /nfs/dbraw/zinc/25/08/27/1035250827.db2.gz FOAUYOJOIOTWPU-QAPCUYQASA-N 2 2 378.521 3.568 20 0 GHADLP CC[C@@H](C[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001209458254 1035279573 /nfs/dbraw/zinc/27/95/73/1035279573.db2.gz CYAXRCYIKWVJAH-IBGZPJMESA-N 2 2 375.557 3.886 20 0 GHADLP CC[C@@H](C[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001209458254 1035279579 /nfs/dbraw/zinc/27/95/79/1035279579.db2.gz CYAXRCYIKWVJAH-IBGZPJMESA-N 2 2 375.557 3.886 20 0 GHADLP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc(F)c1O ZINC001209534470 1035307899 /nfs/dbraw/zinc/30/78/99/1035307899.db2.gz QIZAPFUSDYJLNY-CUWPLCDZSA-N 2 2 399.510 3.667 20 0 GHADLP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc(F)c1O ZINC001209534470 1035307903 /nfs/dbraw/zinc/30/79/03/1035307903.db2.gz QIZAPFUSDYJLNY-CUWPLCDZSA-N 2 2 399.510 3.667 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc(F)c1O ZINC001209534470 1035307908 /nfs/dbraw/zinc/30/79/08/1035307908.db2.gz QIZAPFUSDYJLNY-CUWPLCDZSA-N 2 2 399.510 3.667 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc(F)c1O ZINC001209534470 1035307911 /nfs/dbraw/zinc/30/79/11/1035307911.db2.gz QIZAPFUSDYJLNY-CUWPLCDZSA-N 2 2 399.510 3.667 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc(N5CCCC5)nc4)C[C@@H]3C2)cc1 ZINC001209626711 1035336041 /nfs/dbraw/zinc/33/60/41/1035336041.db2.gz UBZWYRANMFWABI-XZOQPEGZSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc(N5CCCC5)nc4)C[C@@H]3C2)cc1 ZINC001209626711 1035336045 /nfs/dbraw/zinc/33/60/45/1035336045.db2.gz UBZWYRANMFWABI-XZOQPEGZSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc(N5CCCC5)nc4)C[C@@H]3C2)cc1 ZINC001209626711 1035336050 /nfs/dbraw/zinc/33/60/50/1035336050.db2.gz UBZWYRANMFWABI-XZOQPEGZSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc(N5CCCC5)nc4)C[C@@H]3C2)cc1 ZINC001209626711 1035336055 /nfs/dbraw/zinc/33/60/55/1035336055.db2.gz UBZWYRANMFWABI-XZOQPEGZSA-N 2 2 376.548 3.636 20 0 GHADLP [NH3+][C@@H](Cc1c[nH]c2ccccc12)Cc1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001248236040 1035676244 /nfs/dbraw/zinc/67/62/44/1035676244.db2.gz DPFUPLVQTREKHB-INIZCTEOSA-N 2 2 384.443 3.516 20 0 GHADLP c1cc(N2CCCCC2)ccc1-c1noc([C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)n1 ZINC001248253726 1035704328 /nfs/dbraw/zinc/70/43/28/1035704328.db2.gz USUNSRVIKPYAAF-FQEVSTJZSA-N 2 2 381.524 3.616 20 0 GHADLP c1cc(N2CCCCC2)ccc1-c1noc([C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)n1 ZINC001248253726 1035704351 /nfs/dbraw/zinc/70/43/51/1035704351.db2.gz USUNSRVIKPYAAF-FQEVSTJZSA-N 2 2 381.524 3.616 20 0 GHADLP C[NH+]1CCN(C(=O)c2cccc(-c3ccc(F)c(C[NH+]4CCCCC4)c3)c2)CC1 ZINC001241879217 1035737269 /nfs/dbraw/zinc/73/72/69/1035737269.db2.gz GKGNMRFYHFIOQA-UHFFFAOYSA-N 2 2 395.522 3.866 20 0 GHADLP C[C@@H]1CN(c2ccc(Nc3ccc(OCCC[NH+](C)C)cc3)c[nH+]2)C[C@H](C)O1 ZINC001248403597 1035819131 /nfs/dbraw/zinc/81/91/31/1035819131.db2.gz MYMRZSVVNNSLAY-HDICACEKSA-N 2 2 384.524 3.769 20 0 GHADLP Cn1c(Br)ccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001248776230 1036132681 /nfs/dbraw/zinc/13/26/81/1036132681.db2.gz LVYQOERJUHRZKJ-QGZVFWFLSA-N 2 2 376.342 3.742 20 0 GHADLP Cn1c(Br)ccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001248776230 1036132688 /nfs/dbraw/zinc/13/26/88/1036132688.db2.gz LVYQOERJUHRZKJ-QGZVFWFLSA-N 2 2 376.342 3.742 20 0 GHADLP Cn1c(Br)ccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001248776230 1036132696 /nfs/dbraw/zinc/13/26/96/1036132696.db2.gz LVYQOERJUHRZKJ-QGZVFWFLSA-N 2 2 376.342 3.742 20 0 GHADLP Cn1c(Br)ccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001248776230 1036132701 /nfs/dbraw/zinc/13/27/01/1036132701.db2.gz LVYQOERJUHRZKJ-QGZVFWFLSA-N 2 2 376.342 3.742 20 0 GHADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3cc(Cl)c(F)cc3F)C2)C1 ZINC001278371722 1036291777 /nfs/dbraw/zinc/29/17/77/1036291777.db2.gz AWYGLFJYVOPULM-FQEVSTJZSA-N 2 2 385.930 3.858 20 0 GHADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3cc(Cl)c(F)cc3F)C2)C1 ZINC001278371722 1036291795 /nfs/dbraw/zinc/29/17/95/1036291795.db2.gz AWYGLFJYVOPULM-FQEVSTJZSA-N 2 2 385.930 3.858 20 0 GHADLP Brc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cn1 ZINC001462156271 1070041457 /nfs/dbraw/zinc/04/14/57/1070041457.db2.gz PVHJGBCKWCNJEY-UHFFFAOYSA-N 2 2 375.314 3.757 20 0 GHADLP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246045108 1037157638 /nfs/dbraw/zinc/15/76/38/1037157638.db2.gz JULITPUFJKDNMS-QFIPXVFZSA-N 2 2 394.987 3.503 20 0 GHADLP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246045108 1037157656 /nfs/dbraw/zinc/15/76/56/1037157656.db2.gz JULITPUFJKDNMS-QFIPXVFZSA-N 2 2 394.987 3.503 20 0 GHADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[NH+](Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC001246048614 1037160816 /nfs/dbraw/zinc/16/08/16/1037160816.db2.gz KUSQQBJXVGBBHW-BJKOFHAPSA-N 2 2 396.481 3.898 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+][C@H](Cc3ccccc3)C1)CO2 ZINC001246250278 1037253483 /nfs/dbraw/zinc/25/34/83/1037253483.db2.gz MAUIXXDYKYTKCQ-YQVWRLOYSA-N 2 2 387.321 3.836 20 0 GHADLP Clc1nc(C[NH2+][C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)ccc1Br ZINC001246272601 1037269947 /nfs/dbraw/zinc/26/99/47/1037269947.db2.gz RDCQPNQYDDPDHL-GDBMZVCRSA-N 2 2 394.744 3.950 20 0 GHADLP Ic1ccccc1C[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246323383 1037294610 /nfs/dbraw/zinc/29/46/10/1037294610.db2.gz JDWURZAWFXHFJB-OAHLLOKOSA-N 2 2 384.305 3.836 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]Cc2cc(OCC3CCC3)ncn2)CC[NH2+]1 ZINC001246383327 1037343007 /nfs/dbraw/zinc/34/30/07/1037343007.db2.gz HVQAGRSYKYLGBI-GHTZIAJQSA-N 2 2 384.499 3.686 20 0 GHADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@H]2CCc3cccc(Br)c3C2)c1 ZINC001246513156 1037452026 /nfs/dbraw/zinc/45/20/26/1037452026.db2.gz WAXJQJDODPILAG-HNAYVOBHSA-N 2 2 375.310 3.605 20 0 GHADLP CC1(C)C[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001246659153 1037530870 /nfs/dbraw/zinc/53/08/70/1037530870.db2.gz WDQLYTBHRRKSPQ-NSHGMRRFSA-N 3 2 381.486 3.513 20 0 GHADLP CC1(C)C[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC001246659153 1037530886 /nfs/dbraw/zinc/53/08/86/1037530886.db2.gz WDQLYTBHRRKSPQ-NSHGMRRFSA-N 3 2 381.486 3.513 20 0 GHADLP CC1(C)C[C@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CC[NH+]1Cc1ccccc1 ZINC001246659153 1037530907 /nfs/dbraw/zinc/53/09/07/1037530907.db2.gz WDQLYTBHRRKSPQ-NSHGMRRFSA-N 3 2 381.486 3.513 20 0 GHADLP CC1(C)C[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CC[NH+]1Cc1ccccc1 ZINC001246659153 1037530923 /nfs/dbraw/zinc/53/09/23/1037530923.db2.gz WDQLYTBHRRKSPQ-NSHGMRRFSA-N 3 2 381.486 3.513 20 0 GHADLP c1ccc([C@@H]2C[C@H]([N@@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CC[NH2+]2)cc1 ZINC001246675872 1037542900 /nfs/dbraw/zinc/54/29/00/1037542900.db2.gz YUHDAXHOYKHEOB-FQUZAXHOSA-N 3 2 375.560 3.733 20 0 GHADLP c1ccc([C@@H]2C[C@H]([N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CC[NH2+]2)cc1 ZINC001246675872 1037542911 /nfs/dbraw/zinc/54/29/11/1037542911.db2.gz YUHDAXHOYKHEOB-FQUZAXHOSA-N 3 2 375.560 3.733 20 0 GHADLP C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246722167 1037572119 /nfs/dbraw/zinc/57/21/19/1037572119.db2.gz PLHNJHIXKJRMBD-TWEIKEKHSA-N 2 2 386.584 3.889 20 0 GHADLP C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246722167 1037572135 /nfs/dbraw/zinc/57/21/35/1037572135.db2.gz PLHNJHIXKJRMBD-TWEIKEKHSA-N 2 2 386.584 3.889 20 0 GHADLP CC(C)(C)[C@@H]1C[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246759093 1037602478 /nfs/dbraw/zinc/60/24/78/1037602478.db2.gz PZAXICVWPSAKMO-YADHBBJMSA-N 3 2 385.596 3.520 20 0 GHADLP CC(C)(C)[C@@H]1C[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246759093 1037602490 /nfs/dbraw/zinc/60/24/90/1037602490.db2.gz PZAXICVWPSAKMO-YADHBBJMSA-N 3 2 385.596 3.520 20 0 GHADLP O=C1C[C@@H]([N@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC001246933046 1037735715 /nfs/dbraw/zinc/73/57/15/1037735715.db2.gz GBDOCSSUMVIQQW-GOTSBHOMSA-N 2 2 395.522 3.571 20 0 GHADLP O=C1C[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC001246933046 1037735728 /nfs/dbraw/zinc/73/57/28/1037735728.db2.gz GBDOCSSUMVIQQW-GOTSBHOMSA-N 2 2 395.522 3.571 20 0 GHADLP CCC[NH+](CCC)CCCN1CC[NH+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC001246950987 1037753164 /nfs/dbraw/zinc/75/31/64/1037753164.db2.gz XMVYNPHTMDQFDS-ZEQRLZLVSA-N 3 2 386.628 3.609 20 0 GHADLP CO[C@@H]1C[N@@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC001246983501 1037805581 /nfs/dbraw/zinc/80/55/81/1037805581.db2.gz SMROCMVNQJVPDC-ZOOXZOTBSA-N 3 2 393.575 3.658 20 0 GHADLP CO[C@@H]1C[N@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC001246983501 1037805599 /nfs/dbraw/zinc/80/55/99/1037805599.db2.gz SMROCMVNQJVPDC-ZOOXZOTBSA-N 3 2 393.575 3.658 20 0 GHADLP c1cn(-c2ccccc2-c2noc(C3CC[NH+](Cc4ccncc4)CC3)n2)c[nH+]1 ZINC001247083524 1037902280 /nfs/dbraw/zinc/90/22/80/1037902280.db2.gz WWRAVSAPMVLHIK-UHFFFAOYSA-N 2 2 386.459 3.697 20 0 GHADLP CCCCOc1ccc(-c2noc([C@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)cc1 ZINC001247126730 1037935945 /nfs/dbraw/zinc/93/59/45/1037935945.db2.gz NJGVTASHHWIPPF-GOSISDBHSA-N 2 2 393.491 3.531 20 0 GHADLP Clc1cc(Cl)cc(-c2noc([C@@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)c1 ZINC001247125858 1037936038 /nfs/dbraw/zinc/93/60/38/1037936038.db2.gz ITQLNHPRRAYTIU-AWEZNQCLSA-N 2 2 390.274 3.659 20 0 GHADLP c1cn(-c2ccccc2-c2noc(C3CC[NH+](Cc4ccccn4)CC3)n2)c[nH+]1 ZINC001247168946 1037962262 /nfs/dbraw/zinc/96/22/62/1037962262.db2.gz LAYYOVDBDUWCAD-UHFFFAOYSA-N 2 2 386.459 3.697 20 0 GHADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cn2cc(Br)ccc2n1 ZINC001232419664 1038203262 /nfs/dbraw/zinc/20/32/62/1038203262.db2.gz YBMHZMVBXRKUJN-ZWKOTPCHSA-N 2 2 391.357 3.936 20 0 GHADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cn2cc(Br)ccc2n1 ZINC001232419664 1038203273 /nfs/dbraw/zinc/20/32/73/1038203273.db2.gz YBMHZMVBXRKUJN-ZWKOTPCHSA-N 2 2 391.357 3.936 20 0 GHADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cn2cc(Br)ccc2n1 ZINC001232419664 1038203287 /nfs/dbraw/zinc/20/32/87/1038203287.db2.gz YBMHZMVBXRKUJN-ZWKOTPCHSA-N 2 2 391.357 3.936 20 0 GHADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cn2cc(Br)ccc2n1 ZINC001232419664 1038203303 /nfs/dbraw/zinc/20/33/03/1038203303.db2.gz YBMHZMVBXRKUJN-ZWKOTPCHSA-N 2 2 391.357 3.936 20 0 GHADLP Cc1cccc(F)c1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001232489284 1038267488 /nfs/dbraw/zinc/26/74/88/1038267488.db2.gz ZNEBVFCHRUVZIJ-QTEQDKRBSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1cccc(F)c1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001232489284 1038267494 /nfs/dbraw/zinc/26/74/94/1038267494.db2.gz ZNEBVFCHRUVZIJ-QTEQDKRBSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1cccc(F)c1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001232489284 1038267500 /nfs/dbraw/zinc/26/75/00/1038267500.db2.gz ZNEBVFCHRUVZIJ-QTEQDKRBSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1cccc(F)c1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001232489284 1038267509 /nfs/dbraw/zinc/26/75/09/1038267509.db2.gz ZNEBVFCHRUVZIJ-QTEQDKRBSA-N 2 2 382.527 3.706 20 0 GHADLP COc1cc(Cl)ccc1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001232499276 1038272967 /nfs/dbraw/zinc/27/29/67/1038272967.db2.gz OIGFOWOUYHRORK-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP COc1cc(Cl)ccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001232499276 1038272968 /nfs/dbraw/zinc/27/29/68/1038272968.db2.gz OIGFOWOUYHRORK-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1nc3ccccc3o1)CC2 ZINC001232556059 1038323954 /nfs/dbraw/zinc/32/39/54/1038323954.db2.gz FNTPOGANLOIOHB-KRWDZBQOSA-N 2 2 381.476 3.676 20 0 GHADLP FC(F)(F)c1cccc(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c1Cl ZINC001247857789 1038428828 /nfs/dbraw/zinc/42/88/28/1038428828.db2.gz DUUUVOJOYHTXIE-LBPRGKRZSA-N 2 2 386.805 3.956 20 0 GHADLP Clc1ccc(Br)cc1-c1noc([C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001247861862 1038432763 /nfs/dbraw/zinc/43/27/63/1038432763.db2.gz RXUHZJVGLNXCHB-CYBMUJFWSA-N 2 2 397.704 3.699 20 0 GHADLP CNc1ccccc1C[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001232671175 1038471143 /nfs/dbraw/zinc/47/11/43/1038471143.db2.gz WCXRWIADTRYCBO-NRFANRHFSA-N 2 2 386.490 3.857 20 0 GHADLP CNc1ccccc1C[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001232671175 1038471151 /nfs/dbraw/zinc/47/11/51/1038471151.db2.gz WCXRWIADTRYCBO-NRFANRHFSA-N 2 2 386.490 3.857 20 0 GHADLP CNc1ccccc1C[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001232671175 1038471155 /nfs/dbraw/zinc/47/11/55/1038471155.db2.gz WCXRWIADTRYCBO-NRFANRHFSA-N 2 2 386.490 3.857 20 0 GHADLP CNc1ccccc1C[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001232671175 1038471159 /nfs/dbraw/zinc/47/11/59/1038471159.db2.gz WCXRWIADTRYCBO-NRFANRHFSA-N 2 2 386.490 3.857 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)ccn1 ZINC001232769583 1038544318 /nfs/dbraw/zinc/54/43/18/1038544318.db2.gz JTESPBHEZZIYAW-CUWPLCDZSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)ccn1 ZINC001232769583 1038544325 /nfs/dbraw/zinc/54/43/25/1038544325.db2.gz JTESPBHEZZIYAW-CUWPLCDZSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@H]3C2)ccn1 ZINC001232769583 1038544333 /nfs/dbraw/zinc/54/43/33/1038544333.db2.gz JTESPBHEZZIYAW-CUWPLCDZSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)ccn1 ZINC001232769583 1038544340 /nfs/dbraw/zinc/54/43/40/1038544340.db2.gz JTESPBHEZZIYAW-CUWPLCDZSA-N 2 2 399.560 3.662 20 0 GHADLP Fc1ccc2c(c1)[nH]nc2C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001233122202 1038909497 /nfs/dbraw/zinc/90/94/97/1038909497.db2.gz XGVMQUWNRIJTRR-UHFFFAOYSA-N 2 2 394.494 3.569 20 0 GHADLP Fc1ccc2c(c1)[nH]nc2C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001233122202 1038909506 /nfs/dbraw/zinc/90/95/06/1038909506.db2.gz XGVMQUWNRIJTRR-UHFFFAOYSA-N 2 2 394.494 3.569 20 0 GHADLP COc1cccc(C[N@H+](C)CCC[NH+]2CCCC2)c1NC(=O)OC(C)(C)C ZINC001233129327 1038913727 /nfs/dbraw/zinc/91/37/27/1038913727.db2.gz YMHBCGHGCZCNQG-UHFFFAOYSA-N 2 2 377.529 3.960 20 0 GHADLP COc1cccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1NC(=O)OC(C)(C)C ZINC001233129327 1038913731 /nfs/dbraw/zinc/91/37/31/1038913731.db2.gz YMHBCGHGCZCNQG-UHFFFAOYSA-N 2 2 377.529 3.960 20 0 GHADLP C[NH+]1CCC([N@H+](C[C@@H](O)COc2cccc3ccccc32)C2CCCC2)CC1 ZINC001252388406 1038971662 /nfs/dbraw/zinc/97/16/62/1038971662.db2.gz WDVAZEIYKFFAOZ-JOCHJYFZSA-N 2 2 382.548 3.918 20 0 GHADLP C[NH+]1CCC([N@@H+](C[C@@H](O)COc2cccc3ccccc32)C2CCCC2)CC1 ZINC001252388406 1038971665 /nfs/dbraw/zinc/97/16/65/1038971665.db2.gz WDVAZEIYKFFAOZ-JOCHJYFZSA-N 2 2 382.548 3.918 20 0 GHADLP C[N@H+](Cc1ccc(O)c2[nH]c(=O)ccc12)C1CC[NH+](Cc2ccccc2)CC1 ZINC001233291493 1039077852 /nfs/dbraw/zinc/07/78/52/1039077852.db2.gz CYNQBBFGQQSRAJ-UHFFFAOYSA-N 2 2 377.488 3.742 20 0 GHADLP C[N@@H+](Cc1ccc(O)c2[nH]c(=O)ccc12)C1CC[NH+](Cc2ccccc2)CC1 ZINC001233291493 1039077870 /nfs/dbraw/zinc/07/78/70/1039077870.db2.gz CYNQBBFGQQSRAJ-UHFFFAOYSA-N 2 2 377.488 3.742 20 0 GHADLP Clc1ccc2cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)ccc2n1 ZINC001233443474 1039327808 /nfs/dbraw/zinc/32/78/08/1039327808.db2.gz FSRZGRMFYAWJMS-OALUTQOASA-N 2 2 378.907 3.847 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3cnnn3Cc3ccccc3)CC2)c2ccccc2[nH+]1 ZINC001233461202 1039352363 /nfs/dbraw/zinc/35/23/63/1039352363.db2.gz NPHOXORNEVICPP-UHFFFAOYSA-N 2 2 398.514 3.505 20 0 GHADLP CCCC[C@H](CC)COC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001253028320 1039360757 /nfs/dbraw/zinc/36/07/57/1039360757.db2.gz CKKLJUFUOWNYMF-WMZHIEFXSA-N 2 2 392.584 3.540 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c(n3)OCCO4)C[C@@H]21 ZINC001233858790 1039667839 /nfs/dbraw/zinc/66/78/39/1039667839.db2.gz JQNDRTJNMRARGY-LSTHTHJFSA-N 2 2 399.560 3.647 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c(n3)OCCO4)C[C@@H]21 ZINC001233858790 1039667841 /nfs/dbraw/zinc/66/78/41/1039667841.db2.gz JQNDRTJNMRARGY-LSTHTHJFSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4c(n3)OCCO4)C[C@@H]21 ZINC001233858790 1039667844 /nfs/dbraw/zinc/66/78/44/1039667844.db2.gz JQNDRTJNMRARGY-LSTHTHJFSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(n3)OCCO4)C[C@@H]21 ZINC001233858790 1039667851 /nfs/dbraw/zinc/66/78/51/1039667851.db2.gz JQNDRTJNMRARGY-LSTHTHJFSA-N 2 2 399.560 3.647 20 0 GHADLP COc1cc(C[NH+]2CCN(c3c(C)cccc3C)CC2)ccc1-n1cc[nH+]c1 ZINC001234084088 1039822772 /nfs/dbraw/zinc/82/27/72/1039822772.db2.gz BBDQIHFREHVGRP-UHFFFAOYSA-N 2 2 376.504 3.820 20 0 GHADLP O[C@@H](C[NH2+]CC1C[NH+](Cc2ccccc2)C1)C(c1ccccc1)c1ccccc1 ZINC001253932167 1039910390 /nfs/dbraw/zinc/91/03/90/1039910390.db2.gz FQCHCYIBLGKGIE-VWLOTQADSA-N 2 2 386.539 3.901 20 0 GHADLP CC(C)Oc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001254007959 1039949442 /nfs/dbraw/zinc/94/94/42/1039949442.db2.gz MJGVHUVILQKGNV-NRFANRHFSA-N 2 2 395.503 3.531 20 0 GHADLP CC(C)Oc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001254007959 1039949448 /nfs/dbraw/zinc/94/94/48/1039949448.db2.gz MJGVHUVILQKGNV-NRFANRHFSA-N 2 2 395.503 3.531 20 0 GHADLP CCC[C@H](CCc1ccccc1)[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001254493090 1040276023 /nfs/dbraw/zinc/27/60/23/1040276023.db2.gz AAYDXDKLVNHLPY-JOCHJYFZSA-N 2 2 395.595 3.924 20 0 GHADLP CCC[C@H](CCc1ccccc1)[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001254493090 1040276042 /nfs/dbraw/zinc/27/60/42/1040276042.db2.gz AAYDXDKLVNHLPY-JOCHJYFZSA-N 2 2 395.595 3.924 20 0 GHADLP Brc1cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)ccc1-n1cc[nH+]c1 ZINC001235016961 1040503706 /nfs/dbraw/zinc/50/37/06/1040503706.db2.gz DQNUHXUYXMLACQ-MAUKXSAKSA-N 2 2 376.298 3.636 20 0 GHADLP Brc1cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)ccc1-n1cc[nH+]c1 ZINC001235016961 1040503726 /nfs/dbraw/zinc/50/37/26/1040503726.db2.gz DQNUHXUYXMLACQ-MAUKXSAKSA-N 2 2 376.298 3.636 20 0 GHADLP CC[NH+](CC)[C@H]1CCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)C1 ZINC001235033990 1040526631 /nfs/dbraw/zinc/52/66/31/1040526631.db2.gz IFUIKLOWJBWPST-INIZCTEOSA-N 2 2 377.330 3.551 20 0 GHADLP C[N@H+](C1CC[NH+](C)CC1)C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254792485 1040553530 /nfs/dbraw/zinc/55/35/30/1040553530.db2.gz BSRHLVFGNJJJIN-UHFFFAOYSA-N 2 2 379.589 3.972 20 0 GHADLP C[N@@H+](C1CC[NH+](C)CC1)C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254792485 1040553543 /nfs/dbraw/zinc/55/35/43/1040553543.db2.gz BSRHLVFGNJJJIN-UHFFFAOYSA-N 2 2 379.589 3.972 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@@H+]2[C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254854585 1040598775 /nfs/dbraw/zinc/59/87/75/1040598775.db2.gz FUGCVXKALOIWBA-SIKLNZKXSA-N 2 2 377.573 3.726 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@H+]2[C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254854585 1040598783 /nfs/dbraw/zinc/59/87/83/1040598783.db2.gz FUGCVXKALOIWBA-SIKLNZKXSA-N 2 2 377.573 3.726 20 0 GHADLP FC1(F)CC[N@@H+]([C@@H]2CC3CC[NH+](CC3)C2)C[C@@]12CCN(c1ccccc1)C2 ZINC001254856520 1040601527 /nfs/dbraw/zinc/60/15/27/1040601527.db2.gz IAOTUGGYVDFUSG-RTWAWAEBSA-N 2 2 375.507 3.708 20 0 GHADLP FC1(F)CC[N@H+]([C@@H]2CC3CC[NH+](CC3)C2)C[C@@]12CCN(c1ccccc1)C2 ZINC001254856520 1040601532 /nfs/dbraw/zinc/60/15/32/1040601532.db2.gz IAOTUGGYVDFUSG-RTWAWAEBSA-N 2 2 375.507 3.708 20 0 GHADLP C[C@H](c1nccc2ccccc21)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462480045 1070289181 /nfs/dbraw/zinc/28/91/81/1070289181.db2.gz NWWXHHYGENGPPM-DVECYGJZSA-N 2 2 375.516 3.865 20 0 GHADLP C[C@H](c1nccc2ccccc21)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462480045 1070289195 /nfs/dbraw/zinc/28/91/95/1070289195.db2.gz NWWXHHYGENGPPM-DVECYGJZSA-N 2 2 375.516 3.865 20 0 GHADLP C[C@H](c1nccc2ccccc21)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001462480045 1070289207 /nfs/dbraw/zinc/28/92/07/1070289207.db2.gz NWWXHHYGENGPPM-DVECYGJZSA-N 2 2 375.516 3.865 20 0 GHADLP C[C@H](c1nccc2ccccc21)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001462480045 1070289217 /nfs/dbraw/zinc/28/92/17/1070289217.db2.gz NWWXHHYGENGPPM-DVECYGJZSA-N 2 2 375.516 3.865 20 0 GHADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001235240703 1040723054 /nfs/dbraw/zinc/72/30/54/1040723054.db2.gz ZAZHEAWWRRRDBC-FGZHOGPDSA-N 2 2 395.551 3.721 20 0 GHADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001235240703 1040723066 /nfs/dbraw/zinc/72/30/66/1040723066.db2.gz ZAZHEAWWRRRDBC-FGZHOGPDSA-N 2 2 395.551 3.721 20 0 GHADLP O=C(C[C@@H]1CC2(CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)c2ccccc21)NCC1CC1 ZINC001235253202 1040736177 /nfs/dbraw/zinc/73/61/77/1040736177.db2.gz DAADDMFXYWVZIX-RTWAWAEBSA-N 2 2 395.591 3.566 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235365261 1040857268 /nfs/dbraw/zinc/85/72/68/1040857268.db2.gz NKYKZIKBXOIHLN-NOZRDPDXSA-N 3 2 386.543 3.934 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235365261 1040857274 /nfs/dbraw/zinc/85/72/74/1040857274.db2.gz NKYKZIKBXOIHLN-NOZRDPDXSA-N 3 2 386.543 3.934 20 0 GHADLP c1ccc([C@]23CC[NH2+]C[C@H]2C[N@H+](Cc2ccc(N4CCCCC4)nc2)CC3)cc1 ZINC001235369918 1040874720 /nfs/dbraw/zinc/87/47/20/1040874720.db2.gz NTRJINNUEGDLBX-UKILVPOCSA-N 2 2 390.575 3.825 20 0 GHADLP c1ccc([C@]23CC[NH2+]C[C@H]2C[N@@H+](Cc2ccc(N4CCCCC4)nc2)CC3)cc1 ZINC001235369918 1040874750 /nfs/dbraw/zinc/87/47/50/1040874750.db2.gz NTRJINNUEGDLBX-UKILVPOCSA-N 2 2 390.575 3.825 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@H+](C)C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001255204628 1040903939 /nfs/dbraw/zinc/90/39/39/1040903939.db2.gz QFQGPIFNVPBWAV-KOUNCHBCSA-N 2 2 385.552 3.735 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001255204628 1040903945 /nfs/dbraw/zinc/90/39/45/1040903945.db2.gz QFQGPIFNVPBWAV-KOUNCHBCSA-N 2 2 385.552 3.735 20 0 GHADLP COc1cc(-c2ccc[nH]2)[nH]c1C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235388690 1040906789 /nfs/dbraw/zinc/90/67/89/1040906789.db2.gz YWWTVEISTOKOMB-DVECYGJZSA-N 2 2 390.531 3.772 20 0 GHADLP COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235388690 1040906792 /nfs/dbraw/zinc/90/67/92/1040906792.db2.gz YWWTVEISTOKOMB-DVECYGJZSA-N 2 2 390.531 3.772 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H](F)[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255382557 1040972926 /nfs/dbraw/zinc/97/29/26/1040972926.db2.gz VWVKIWSWFAVPHO-ZCNNSNEGSA-N 2 2 391.531 3.588 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H](F)[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255382557 1040972928 /nfs/dbraw/zinc/97/29/28/1040972928.db2.gz VWVKIWSWFAVPHO-ZCNNSNEGSA-N 2 2 391.531 3.588 20 0 GHADLP Fc1ccc(CN2CC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255396720 1040983241 /nfs/dbraw/zinc/98/32/41/1040983241.db2.gz ASWFLBLAPIEWBT-XMMPIXPASA-N 2 2 381.539 3.998 20 0 GHADLP Fc1ccc(CN2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255396720 1040983242 /nfs/dbraw/zinc/98/32/42/1040983242.db2.gz ASWFLBLAPIEWBT-XMMPIXPASA-N 2 2 381.539 3.998 20 0 GHADLP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001235672372 1041129454 /nfs/dbraw/zinc/12/94/54/1041129454.db2.gz BSLSHZMSIRGUBB-UHFFFAOYSA-N 3 2 392.934 3.856 20 0 GHADLP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001235672438 1041132079 /nfs/dbraw/zinc/13/20/79/1041132079.db2.gz DSQYQDBVTRORFH-UHFFFAOYSA-N 3 2 392.934 3.856 20 0 GHADLP FC(F)(F)c1ccc(O[C@@H]2CCC[N@H+](Cc3nc4c(s3)C[NH2+]CC4)C2)cc1 ZINC001235688531 1041157086 /nfs/dbraw/zinc/15/70/86/1041157086.db2.gz QKZMZGFOPBAJQW-OAHLLOKOSA-N 2 2 397.466 3.851 20 0 GHADLP FC(F)(F)c1ccc(O[C@@H]2CCC[N@@H+](Cc3nc4c(s3)C[NH2+]CC4)C2)cc1 ZINC001235688531 1041157091 /nfs/dbraw/zinc/15/70/91/1041157091.db2.gz QKZMZGFOPBAJQW-OAHLLOKOSA-N 2 2 397.466 3.851 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001255610752 1041166201 /nfs/dbraw/zinc/16/62/01/1041166201.db2.gz GVDIJHVHRBJYDA-HXUWFJFHSA-N 2 2 391.531 3.731 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001255610752 1041166211 /nfs/dbraw/zinc/16/62/11/1041166211.db2.gz GVDIJHVHRBJYDA-HXUWFJFHSA-N 2 2 391.531 3.731 20 0 GHADLP FC(F)(F)Oc1ccccc1-c1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cn1 ZINC001235712665 1041194134 /nfs/dbraw/zinc/19/41/34/1041194134.db2.gz FRCUVBQOXHDGSQ-UHFFFAOYSA-N 2 2 377.410 3.833 20 0 GHADLP FC(F)(F)Oc1ccccc1-c1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)cn1 ZINC001235712665 1041194142 /nfs/dbraw/zinc/19/41/42/1041194142.db2.gz FRCUVBQOXHDGSQ-UHFFFAOYSA-N 2 2 377.410 3.833 20 0 GHADLP COCCC[N@H+](Cc1ccc2nc(Br)sc2c1)[C@H]1CCC[NH2+]C1 ZINC001235810080 1041322458 /nfs/dbraw/zinc/32/24/58/1041322458.db2.gz MRMUHQJJAPGNRV-AWEZNQCLSA-N 2 2 398.370 3.649 20 0 GHADLP COCCC[N@@H+](Cc1ccc2nc(Br)sc2c1)[C@H]1CCC[NH2+]C1 ZINC001235810080 1041322474 /nfs/dbraw/zinc/32/24/74/1041322474.db2.gz MRMUHQJJAPGNRV-AWEZNQCLSA-N 2 2 398.370 3.649 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001255960956 1041439992 /nfs/dbraw/zinc/43/99/92/1041439992.db2.gz BDPSPDQHAHOXSF-QFIPXVFZSA-N 3 2 387.612 3.782 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001255960956 1041439998 /nfs/dbraw/zinc/43/99/98/1041439998.db2.gz BDPSPDQHAHOXSF-QFIPXVFZSA-N 3 2 387.612 3.782 20 0 GHADLP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959222 1041466452 /nfs/dbraw/zinc/46/64/52/1041466452.db2.gz ISZIWFGJYHOBEM-KEODLESXSA-N 2 2 382.348 3.902 20 0 GHADLP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959222 1041466462 /nfs/dbraw/zinc/46/64/62/1041466462.db2.gz ISZIWFGJYHOBEM-KEODLESXSA-N 2 2 382.348 3.902 20 0 GHADLP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001256215122 1041652681 /nfs/dbraw/zinc/65/26/81/1041652681.db2.gz PXRNHXAWJUNYCP-QAPCUYQASA-N 2 2 381.358 3.613 20 0 GHADLP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001256215122 1041652690 /nfs/dbraw/zinc/65/26/90/1041652690.db2.gz PXRNHXAWJUNYCP-QAPCUYQASA-N 2 2 381.358 3.613 20 0 GHADLP COCC[N@H+]([C@@H](C)CCc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC001256227482 1041662559 /nfs/dbraw/zinc/66/25/59/1041662559.db2.gz VWUYQOJRCOBVHY-INIZCTEOSA-N 2 2 383.374 3.813 20 0 GHADLP COCC[N@@H+]([C@@H](C)CCc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC001256227482 1041662563 /nfs/dbraw/zinc/66/25/63/1041662563.db2.gz VWUYQOJRCOBVHY-INIZCTEOSA-N 2 2 383.374 3.813 20 0 GHADLP Fc1ccccc1C[N@H+](CCOCCOCc1ccccc1)C1CC[NH2+]CC1 ZINC001236367292 1041684308 /nfs/dbraw/zinc/68/43/08/1041684308.db2.gz MRHUROPOUHNGNE-UHFFFAOYSA-N 2 2 386.511 3.613 20 0 GHADLP Fc1ccccc1C[N@@H+](CCOCCOCc1ccccc1)C1CC[NH2+]CC1 ZINC001236367292 1041684312 /nfs/dbraw/zinc/68/43/12/1041684312.db2.gz MRHUROPOUHNGNE-UHFFFAOYSA-N 2 2 386.511 3.613 20 0 GHADLP COc1cc(CN(Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)ccc1-n1cc[nH+]c1 ZINC001236397454 1041701119 /nfs/dbraw/zinc/70/11/19/1041701119.db2.gz VJYGBBANYYBNJB-NRFANRHFSA-N 2 2 394.494 3.774 20 0 GHADLP O=C(C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC001462559163 1070361064 /nfs/dbraw/zinc/36/10/64/1070361064.db2.gz RZEVMBJILJEDIS-IIBYNOLFSA-N 2 2 385.458 3.861 20 0 GHADLP O=C(C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC001462559163 1070361076 /nfs/dbraw/zinc/36/10/76/1070361076.db2.gz RZEVMBJILJEDIS-IIBYNOLFSA-N 2 2 385.458 3.861 20 0 GHADLP CCOCC[N@H+](Cc1cccc(OCc2ccccc2)c1OC)C1CC[NH2+]CC1 ZINC001236465272 1041726844 /nfs/dbraw/zinc/72/68/44/1041726844.db2.gz NRYPHXRNWKNCOD-UHFFFAOYSA-N 2 2 398.547 3.865 20 0 GHADLP CCOCC[N@@H+](Cc1cccc(OCc2ccccc2)c1OC)C1CC[NH2+]CC1 ZINC001236465272 1041726848 /nfs/dbraw/zinc/72/68/48/1041726848.db2.gz NRYPHXRNWKNCOD-UHFFFAOYSA-N 2 2 398.547 3.865 20 0 GHADLP COc1cc(C[N@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)cc(F)c1O ZINC001236480921 1041734397 /nfs/dbraw/zinc/73/43/97/1041734397.db2.gz LGNKKUYALVVJCJ-UHFFFAOYSA-N 2 2 376.447 3.742 20 0 GHADLP COc1cc(C[N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)cc(F)c1O ZINC001236480921 1041734402 /nfs/dbraw/zinc/73/44/02/1041734402.db2.gz LGNKKUYALVVJCJ-UHFFFAOYSA-N 2 2 376.447 3.742 20 0 GHADLP CCOc1cc(C[N@H+](Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)ccc1O ZINC001236517266 1041750591 /nfs/dbraw/zinc/75/05/91/1041750591.db2.gz RTVORFDLPJZXEC-UHFFFAOYSA-N 2 2 388.483 3.693 20 0 GHADLP CCOc1cc(C[N@@H+](Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)ccc1O ZINC001236517266 1041750598 /nfs/dbraw/zinc/75/05/98/1041750598.db2.gz RTVORFDLPJZXEC-UHFFFAOYSA-N 2 2 388.483 3.693 20 0 GHADLP Cc1ccccc1C[N@@H+](Cc1nn(C)cc1Br)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236557050 1041761214 /nfs/dbraw/zinc/76/12/14/1041761214.db2.gz HMDRBATXOKJNNQ-QAQDUYKDSA-N 2 2 391.357 3.763 20 0 GHADLP Cc1ccccc1C[N@H+](Cc1nn(C)cc1Br)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236557050 1041761222 /nfs/dbraw/zinc/76/12/22/1041761222.db2.gz HMDRBATXOKJNNQ-QAQDUYKDSA-N 2 2 391.357 3.763 20 0 GHADLP COc1ccccc1C[N@H+](Cc1n[nH]c2ccc(F)cc21)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236709145 1041846273 /nfs/dbraw/zinc/84/62/73/1041846273.db2.gz FDWYJZOHLPOKNU-IYARVYRRSA-N 2 2 382.483 3.983 20 0 GHADLP COc1ccccc1C[N@@H+](Cc1n[nH]c2ccc(F)cc21)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236709145 1041846275 /nfs/dbraw/zinc/84/62/75/1041846275.db2.gz FDWYJZOHLPOKNU-IYARVYRRSA-N 2 2 382.483 3.983 20 0 GHADLP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236828271 1041919277 /nfs/dbraw/zinc/91/92/77/1041919277.db2.gz HRUBZZPTSFWZOU-CHIMOYNISA-N 2 2 382.348 3.902 20 0 GHADLP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236828271 1041919279 /nfs/dbraw/zinc/91/92/79/1041919279.db2.gz HRUBZZPTSFWZOU-CHIMOYNISA-N 2 2 382.348 3.902 20 0 GHADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Br)c(OC(F)(F)F)c3)C[C@H]12 ZINC001236831914 1041921218 /nfs/dbraw/zinc/92/12/18/1041921218.db2.gz SASFRMSCICWTRJ-NTZNESFSSA-N 2 2 379.220 3.517 20 0 GHADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)c(OC(F)(F)F)c3)C[C@H]12 ZINC001236831914 1041921220 /nfs/dbraw/zinc/92/12/20/1041921220.db2.gz SASFRMSCICWTRJ-NTZNESFSSA-N 2 2 379.220 3.517 20 0 GHADLP CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@H]1C ZINC001236907324 1041950952 /nfs/dbraw/zinc/95/09/52/1041950952.db2.gz BFPYZJZSWXHKSC-WBVHZDCISA-N 2 2 375.900 3.937 20 0 GHADLP CCOC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@H]1C ZINC001236907324 1041950955 /nfs/dbraw/zinc/95/09/55/1041950955.db2.gz BFPYZJZSWXHKSC-WBVHZDCISA-N 2 2 375.900 3.937 20 0 GHADLP Cc1cccnc1N1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236921552 1041960096 /nfs/dbraw/zinc/96/00/96/1041960096.db2.gz KSEIEFSNPMMRTR-UHFFFAOYSA-N 2 2 381.911 3.941 20 0 GHADLP Cc1cccnc1N1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236921552 1041960098 /nfs/dbraw/zinc/96/00/98/1041960098.db2.gz KSEIEFSNPMMRTR-UHFFFAOYSA-N 2 2 381.911 3.941 20 0 GHADLP COc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)nc1 ZINC001236930118 1041962789 /nfs/dbraw/zinc/96/27/89/1041962789.db2.gz XBBHYRGRLJYZKU-GOSISDBHSA-N 2 2 384.867 3.583 20 0 GHADLP COc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)nc1 ZINC001236930118 1041962796 /nfs/dbraw/zinc/96/27/96/1041962796.db2.gz XBBHYRGRLJYZKU-GOSISDBHSA-N 2 2 384.867 3.583 20 0 GHADLP CC(C)(C)OC(=O)NC1CC[NH+](C2CC[NH+](CC3OC=CC3=S)CC2)CC1 ZINC001237185979 1042083848 /nfs/dbraw/zinc/08/38/48/1042083848.db2.gz JJRPZTFFYBLQPK-UHFFFAOYSA-N 2 2 395.569 3.522 20 0 GHADLP Clc1cc(Cl)c2c(c1)CC[N@@H+](Cc1ccccc1N1CC[NH2+]CC1)C2 ZINC001237265394 1042113409 /nfs/dbraw/zinc/11/34/09/1042113409.db2.gz OYXIQKSKZQXALZ-UHFFFAOYSA-N 2 2 376.331 3.961 20 0 GHADLP Clc1cc(Cl)c2c(c1)CC[N@H+](Cc1ccccc1N1CC[NH2+]CC1)C2 ZINC001237265394 1042113411 /nfs/dbraw/zinc/11/34/11/1042113411.db2.gz OYXIQKSKZQXALZ-UHFFFAOYSA-N 2 2 376.331 3.961 20 0 GHADLP O=C(c1ccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1)N1CCCC1 ZINC001237277828 1042119253 /nfs/dbraw/zinc/11/92/53/1042119253.db2.gz VCAYNKLDSNYEBH-UHFFFAOYSA-N 2 2 389.543 3.560 20 0 GHADLP COC(=O)Cc1cccc(C[N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)c1 ZINC001237483905 1042228795 /nfs/dbraw/zinc/22/87/95/1042228795.db2.gz UTKUCWDGDSGXMF-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP COC(=O)Cc1cccc(C[N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)c1 ZINC001237483905 1042228799 /nfs/dbraw/zinc/22/87/99/1042228799.db2.gz UTKUCWDGDSGXMF-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccn3nccc3c1)CC2 ZINC001237537730 1042255404 /nfs/dbraw/zinc/25/54/04/1042255404.db2.gz JBUDKQVULJWTSP-UHFFFAOYSA-N 2 2 379.508 3.570 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccn3nccc3c1)CC2 ZINC001237537730 1042255411 /nfs/dbraw/zinc/25/54/11/1042255411.db2.gz JBUDKQVULJWTSP-UHFFFAOYSA-N 2 2 379.508 3.570 20 0 GHADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H]4C[C@H]3CN4C(=O)OC(C)(C)C)cc21 ZINC001237878505 1042406210 /nfs/dbraw/zinc/40/62/10/1042406210.db2.gz RBMCMUCWUJRLFJ-OALUTQOASA-N 2 2 383.536 3.881 20 0 GHADLP CCCOc1cc(F)ccc1C[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001237904344 1042417435 /nfs/dbraw/zinc/41/74/35/1042417435.db2.gz LUUUOGDFGFHYPQ-UHFFFAOYSA-N 2 2 399.510 3.881 20 0 GHADLP Clc1cncc(C[NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)c1Cl ZINC001238007093 1042456112 /nfs/dbraw/zinc/45/61/12/1042456112.db2.gz DCTBSOVEIXWQEJ-UHFFFAOYSA-N 2 2 393.318 3.655 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc(N5CCCCC5)n4)C[C@@H]3C2)cc1 ZINC001238011617 1042458705 /nfs/dbraw/zinc/45/87/05/1042458705.db2.gz SPGSLVBJMIPFDS-VXKWHMMOSA-N 2 2 376.548 3.636 20 0 GHADLP Fc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1-c1ccncc1 ZINC001238559913 1042640391 /nfs/dbraw/zinc/64/03/91/1042640391.db2.gz HXTYSWKXFUGEAV-SZPZYZBQSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1-c1ccncc1 ZINC001238559913 1042640392 /nfs/dbraw/zinc/64/03/92/1042640392.db2.gz HXTYSWKXFUGEAV-SZPZYZBQSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1-c1ccncc1 ZINC001238559913 1042640395 /nfs/dbraw/zinc/64/03/95/1042640395.db2.gz HXTYSWKXFUGEAV-SZPZYZBQSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1-c1ccncc1 ZINC001238559913 1042640398 /nfs/dbraw/zinc/64/03/98/1042640398.db2.gz HXTYSWKXFUGEAV-SZPZYZBQSA-N 2 2 388.490 3.847 20 0 GHADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cccc(-c4ccc(F)cc4OC)c3)C[C@@H]2C1 ZINC001238627444 1042663496 /nfs/dbraw/zinc/66/34/96/1042663496.db2.gz AECJUSOJVOYTAB-WMZHIEFXSA-N 2 2 384.495 3.654 20 0 GHADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc(-c4ccc(F)cc4OC)c3)C[C@@H]2C1 ZINC001238627444 1042663497 /nfs/dbraw/zinc/66/34/97/1042663497.db2.gz AECJUSOJVOYTAB-WMZHIEFXSA-N 2 2 384.495 3.654 20 0 GHADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3cccc(-c4ccc(F)cc4OC)c3)C[C@@H]2C1 ZINC001238627444 1042663498 /nfs/dbraw/zinc/66/34/98/1042663498.db2.gz AECJUSOJVOYTAB-WMZHIEFXSA-N 2 2 384.495 3.654 20 0 GHADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccc(-c4ccc(F)cc4OC)c3)C[C@@H]2C1 ZINC001238627444 1042663500 /nfs/dbraw/zinc/66/35/00/1042663500.db2.gz AECJUSOJVOYTAB-WMZHIEFXSA-N 2 2 384.495 3.654 20 0 GHADLP COc1ccc(-c2ccncc2)c(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)c1 ZINC001238659565 1042674648 /nfs/dbraw/zinc/67/46/48/1042674648.db2.gz VRRBLOSRYGQORE-UHFFFAOYSA-N 2 2 395.547 3.832 20 0 GHADLP CSc1ccc(Cl)cc1C[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001238672953 1042679094 /nfs/dbraw/zinc/67/90/94/1042679094.db2.gz HEORHESAGWXVEN-SJLPKXTDSA-N 2 2 390.984 3.749 20 0 GHADLP CSc1ccc(Cl)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001238672953 1042679099 /nfs/dbraw/zinc/67/90/99/1042679099.db2.gz HEORHESAGWXVEN-SJLPKXTDSA-N 2 2 390.984 3.749 20 0 GHADLP CSc1ccc(Cl)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001238672953 1042679101 /nfs/dbraw/zinc/67/91/01/1042679101.db2.gz HEORHESAGWXVEN-SJLPKXTDSA-N 2 2 390.984 3.749 20 0 GHADLP CSc1ccc(Cl)cc1C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001238672953 1042679103 /nfs/dbraw/zinc/67/91/03/1042679103.db2.gz HEORHESAGWXVEN-SJLPKXTDSA-N 2 2 390.984 3.749 20 0 GHADLP CCOc1cccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c1Br ZINC001238692270 1042687605 /nfs/dbraw/zinc/68/76/05/1042687605.db2.gz YXRMSHUJEPVEOQ-UHFFFAOYSA-N 2 2 390.325 3.873 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCCN(Cc3ccncc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256538385 1043483475 /nfs/dbraw/zinc/48/34/75/1043483475.db2.gz SRTMSMCQWOHINA-QPPBQGQZSA-N 2 2 378.564 3.642 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCCN(Cc3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538385 1043483485 /nfs/dbraw/zinc/48/34/85/1043483485.db2.gz SRTMSMCQWOHINA-QPPBQGQZSA-N 2 2 378.564 3.642 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+]2CCCN(Cc3ccncc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256538385 1043483491 /nfs/dbraw/zinc/48/34/91/1043483491.db2.gz SRTMSMCQWOHINA-QPPBQGQZSA-N 2 2 378.564 3.642 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+]2CCCN(Cc3ccncc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256538385 1043483506 /nfs/dbraw/zinc/48/35/06/1043483506.db2.gz SRTMSMCQWOHINA-QPPBQGQZSA-N 2 2 378.564 3.642 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CC(CN(C)C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256544210 1043498330 /nfs/dbraw/zinc/49/83/30/1043498330.db2.gz XQJDFLWSJJVMOY-RXVVDRJESA-N 2 2 387.568 3.838 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CC(CN(C)C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256544210 1043498335 /nfs/dbraw/zinc/49/83/35/1043498335.db2.gz XQJDFLWSJJVMOY-RXVVDRJESA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256555430 1043525470 /nfs/dbraw/zinc/52/54/70/1043525470.db2.gz UYPGUKYREQWDEF-OCFYOKIWSA-N 2 2 375.560 3.998 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256555430 1043525473 /nfs/dbraw/zinc/52/54/73/1043525473.db2.gz UYPGUKYREQWDEF-OCFYOKIWSA-N 2 2 375.560 3.998 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001256555430 1043525475 /nfs/dbraw/zinc/52/54/75/1043525475.db2.gz UYPGUKYREQWDEF-OCFYOKIWSA-N 2 2 375.560 3.998 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001256555430 1043525478 /nfs/dbraw/zinc/52/54/78/1043525478.db2.gz UYPGUKYREQWDEF-OCFYOKIWSA-N 2 2 375.560 3.998 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC3(CC2)OC(=O)c2ncccc23)CC[N@@H+]1Cc1ccccc1 ZINC001256559322 1043535358 /nfs/dbraw/zinc/53/53/58/1043535358.db2.gz KUGJOEFMKLUBKE-QUCCMNQESA-N 2 2 391.515 3.596 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC3(CC2)OC(=O)c2ncccc23)CC[N@H+]1Cc1ccccc1 ZINC001256559322 1043535364 /nfs/dbraw/zinc/53/53/64/1043535364.db2.gz KUGJOEFMKLUBKE-QUCCMNQESA-N 2 2 391.515 3.596 20 0 GHADLP Fc1cccc(CC2(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)CCOCC2)c1 ZINC001256584030 1043553981 /nfs/dbraw/zinc/55/39/81/1043553981.db2.gz BFYHTIRMYHNGNX-UHFFFAOYSA-N 2 2 397.538 3.814 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC001292070139 1043581820 /nfs/dbraw/zinc/58/18/20/1043581820.db2.gz DYALHYCFHRLNJF-QHCPKHFHSA-N 2 2 393.531 3.547 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC001292070139 1043581829 /nfs/dbraw/zinc/58/18/29/1043581829.db2.gz DYALHYCFHRLNJF-QHCPKHFHSA-N 2 2 393.531 3.547 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@H]1CCO[C@@H](c3ccccc3)C1)CC2 ZINC001256809031 1043664500 /nfs/dbraw/zinc/66/45/00/1043664500.db2.gz GADYXQIDJVSBGJ-WMZHIEFXSA-N 2 2 382.552 3.804 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@H]1CCO[C@@H](c3ccccc3)C1)CC2 ZINC001256809031 1043664505 /nfs/dbraw/zinc/66/45/05/1043664505.db2.gz GADYXQIDJVSBGJ-WMZHIEFXSA-N 2 2 382.552 3.804 20 0 GHADLP FC(F)(F)c1cccnc1N1CCC([NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC001256893370 1043726061 /nfs/dbraw/zinc/72/60/61/1043726061.db2.gz UOENBGVKUNVEMV-UHFFFAOYSA-N 2 2 379.430 3.603 20 0 GHADLP Fc1ccc(CN2CCC([NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)CC2)cc1F ZINC001256908011 1043735016 /nfs/dbraw/zinc/73/50/16/1043735016.db2.gz JLRAZDICBXUCMT-IBGZPJMESA-N 2 2 377.523 3.926 20 0 GHADLP Fc1ccc(CN2CCC([NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)CC2)cc1F ZINC001256908011 1043735028 /nfs/dbraw/zinc/73/50/28/1043735028.db2.gz JLRAZDICBXUCMT-IBGZPJMESA-N 2 2 377.523 3.926 20 0 GHADLP Fc1ccc(CN2CCC([NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)CC2)cc1F ZINC001256908012 1043735319 /nfs/dbraw/zinc/73/53/19/1043735319.db2.gz JLRAZDICBXUCMT-LJQANCHMSA-N 2 2 377.523 3.926 20 0 GHADLP Fc1ccc(CN2CCC([NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)CC2)cc1F ZINC001256908012 1043735330 /nfs/dbraw/zinc/73/53/30/1043735330.db2.gz JLRAZDICBXUCMT-LJQANCHMSA-N 2 2 377.523 3.926 20 0 GHADLP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)C1 ZINC001257037597 1043813721 /nfs/dbraw/zinc/81/37/21/1043813721.db2.gz CDFPOZYDQSRVBK-LSDHHAIUSA-N 2 2 384.442 3.687 20 0 GHADLP CCOC(=O)c1ccc(C[C@@H](C)[NH+]2CCC([NH3+])(c3ccccc3OC)CC2)cc1 ZINC001257153070 1043901677 /nfs/dbraw/zinc/90/16/77/1043901677.db2.gz IMDMBNNEJULZKW-GOSISDBHSA-N 2 2 396.531 3.753 20 0 GHADLP C[N@H+](CC(=O)N[C@H]1CCC[NH+](Cc2ccc(F)cc2Cl)C1)CC(C)(C)C ZINC001293322310 1044113506 /nfs/dbraw/zinc/11/35/06/1044113506.db2.gz MHOKOGDBYMRESU-KRWDZBQOSA-N 2 2 383.939 3.538 20 0 GHADLP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](Cc2ccc(F)cc2Cl)C1)CC(C)(C)C ZINC001293322310 1044113510 /nfs/dbraw/zinc/11/35/10/1044113510.db2.gz MHOKOGDBYMRESU-KRWDZBQOSA-N 2 2 383.939 3.538 20 0 GHADLP C[NH+](CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)CC(C)(C)C ZINC001293322310 1044113514 /nfs/dbraw/zinc/11/35/14/1044113514.db2.gz MHOKOGDBYMRESU-KRWDZBQOSA-N 2 2 383.939 3.538 20 0 GHADLP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)CC(C)(C)C ZINC001293322310 1044113519 /nfs/dbraw/zinc/11/35/19/1044113519.db2.gz MHOKOGDBYMRESU-KRWDZBQOSA-N 2 2 383.939 3.538 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC([NH2+]CC1C[NH+](Cc3ccccc3)C1)CC2 ZINC001257750096 1044139386 /nfs/dbraw/zinc/13/93/86/1044139386.db2.gz MQDQUPZKAVYJKG-UHFFFAOYSA-N 2 2 399.579 3.888 20 0 GHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001257804517 1044188217 /nfs/dbraw/zinc/18/82/17/1044188217.db2.gz NQWIERHZGFSEJS-IPJJNNNSSA-N 2 2 379.589 3.876 20 0 GHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001257804517 1044188224 /nfs/dbraw/zinc/18/82/24/1044188224.db2.gz NQWIERHZGFSEJS-IPJJNNNSSA-N 2 2 379.589 3.876 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)C2 ZINC001257808076 1044190424 /nfs/dbraw/zinc/19/04/24/1044190424.db2.gz VVKHDGAPVWMYMM-SPEDKVCISA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)C2 ZINC001257808076 1044190431 /nfs/dbraw/zinc/19/04/31/1044190431.db2.gz VVKHDGAPVWMYMM-SPEDKVCISA-N 2 2 377.573 3.773 20 0 GHADLP c1ccc(COC2CCC([NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)CC2)cc1 ZINC001257830692 1044207850 /nfs/dbraw/zinc/20/78/50/1044207850.db2.gz IITSENRDCSAHFV-FFMTYJSISA-N 2 2 391.559 3.973 20 0 GHADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2C[C@H]3C[C@@H](C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC001257842579 1044216974 /nfs/dbraw/zinc/21/69/74/1044216974.db2.gz KHPBDLUYGIELFD-TUVJXNFZSA-N 2 2 379.589 3.732 20 0 GHADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2C[C@H]3C[C@@H](C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC001257842579 1044216988 /nfs/dbraw/zinc/21/69/88/1044216988.db2.gz KHPBDLUYGIELFD-TUVJXNFZSA-N 2 2 379.589 3.732 20 0 GHADLP COC(=O)C1CCC([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001257855077 1044223131 /nfs/dbraw/zinc/22/31/31/1044223131.db2.gz YABRGZBLPHMQBK-UHFFFAOYSA-N 2 2 398.469 3.991 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1COc2ccc(Cl)cc2C1 ZINC001257960033 1044277632 /nfs/dbraw/zinc/27/76/32/1044277632.db2.gz PUPGCJWOQDFMAZ-JAXLGGSGSA-N 2 2 386.923 3.523 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1COc2ccc(Cl)cc2C1 ZINC001257960033 1044277638 /nfs/dbraw/zinc/27/76/38/1044277638.db2.gz PUPGCJWOQDFMAZ-JAXLGGSGSA-N 2 2 386.923 3.523 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC[NH+]2CCCC2)C[C@H]1Cc1ccccc1 ZINC001257972105 1044293139 /nfs/dbraw/zinc/29/31/39/1044293139.db2.gz WTEMSOMOMUJADJ-LEWJYISDSA-N 2 2 387.568 3.683 20 0 GHADLP CC(C)C[NH+]1CCC([NH+]2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC001258014001 1044342404 /nfs/dbraw/zinc/34/24/04/1044342404.db2.gz BUJVTSULLJVXIU-UHFFFAOYSA-N 2 2 394.401 3.687 20 0 GHADLP CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258145340 1044433579 /nfs/dbraw/zinc/43/35/79/1044433579.db2.gz IFKBXWZXNRORTC-UHFFFAOYSA-N 2 2 399.579 3.683 20 0 GHADLP Fc1ccc(OC2CC[NH+](C3CC[NH+](CCc4ccccc4)CC3)CC2)nc1 ZINC001258149862 1044441889 /nfs/dbraw/zinc/44/18/89/1044441889.db2.gz RENGPYYUTDGIIR-UHFFFAOYSA-N 2 2 383.511 3.771 20 0 GHADLP CCOC(=O)CC[C@@H](C)[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001258496445 1044582147 /nfs/dbraw/zinc/58/21/47/1044582147.db2.gz RJLICTBVGRXPNJ-OAHLLOKOSA-N 2 2 375.900 3.742 20 0 GHADLP CC1(C)COC2(CCC([NH2+]C3CC[NH+](Cc4ccc(O)cc4)CC3)CC2)OC1 ZINC001258521546 1044598817 /nfs/dbraw/zinc/59/88/17/1044598817.db2.gz UAVPPUYBJFTTNH-UHFFFAOYSA-N 2 2 388.552 3.658 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@@H](C)Cc3cccc(Cl)c3)CC2)C1 ZINC001258751106 1044748884 /nfs/dbraw/zinc/74/88/84/1044748884.db2.gz HWQDDQIGGPRCMC-WMZOPIPTSA-N 2 2 378.944 3.620 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)Cc3cccc(Cl)c3)CC2)C1 ZINC001258751106 1044748902 /nfs/dbraw/zinc/74/89/02/1044748902.db2.gz HWQDDQIGGPRCMC-WMZOPIPTSA-N 2 2 378.944 3.620 20 0 GHADLP CC(C)CC(CC(C)C)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001258836345 1044781527 /nfs/dbraw/zinc/78/15/27/1044781527.db2.gz VBPQJOSBMMVCMY-UHFFFAOYSA-N 3 2 392.676 3.623 20 0 GHADLP COc1ccccc1C[C@H](C)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001258879756 1044827834 /nfs/dbraw/zinc/82/78/34/1044827834.db2.gz XTARTLJYYLDBLM-HNNXBMFYSA-N 2 2 379.595 3.667 20 0 GHADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3c[nH]c4nccc(Br)c34)C2)C1 ZINC001279166040 1047735053 /nfs/dbraw/zinc/73/50/53/1047735053.db2.gz ZSDZPTUDDMOPRB-SFHVURJKSA-N 2 2 377.330 3.633 20 0 GHADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3c[nH]c4nccc(Br)c34)C2)C1 ZINC001279166040 1047735056 /nfs/dbraw/zinc/73/50/56/1047735056.db2.gz ZSDZPTUDDMOPRB-SFHVURJKSA-N 2 2 377.330 3.633 20 0 GHADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3c[nH]c4nccc(Br)c34)C2)C1 ZINC001279166040 1047735058 /nfs/dbraw/zinc/73/50/58/1047735058.db2.gz ZSDZPTUDDMOPRB-SFHVURJKSA-N 2 2 377.330 3.633 20 0 GHADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3c[nH]c4nccc(Br)c34)C2)C1 ZINC001279166040 1047735063 /nfs/dbraw/zinc/73/50/63/1047735063.db2.gz ZSDZPTUDDMOPRB-SFHVURJKSA-N 2 2 377.330 3.633 20 0 GHADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(F)cccc3I)(C1)CCC2 ZINC001279214917 1047743735 /nfs/dbraw/zinc/74/37/35/1047743735.db2.gz YQUJAVFFFYXMOA-JKSUJKDBSA-N 2 2 388.268 3.585 20 0 GHADLP c1cn(CCN2C[C@H]3C[C@@H](C2)[N@H+](Cc2cc(-c4ccsc4)cs2)C3)c[nH+]1 ZINC001279342179 1047774620 /nfs/dbraw/zinc/77/46/20/1047774620.db2.gz WZKUWJXVTHXTLB-APWZRJJASA-N 2 2 384.574 3.879 20 0 GHADLP c1cn(CCN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cc(-c4ccsc4)cs2)C3)c[nH+]1 ZINC001279342179 1047774627 /nfs/dbraw/zinc/77/46/27/1047774627.db2.gz WZKUWJXVTHXTLB-APWZRJJASA-N 2 2 384.574 3.879 20 0 GHADLP Brc1cnccc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2 ZINC001279406394 1047795919 /nfs/dbraw/zinc/79/59/19/1047795919.db2.gz ZYMHGSJOKQYLKV-RBUKOAKNSA-N 2 2 389.341 3.897 20 0 GHADLP Brc1csc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4ccc[nH]4)(C2)CCC3)n1 ZINC001279417752 1047798387 /nfs/dbraw/zinc/79/83/87/1047798387.db2.gz NYAHXBFEJLWPRZ-SJORKVTESA-N 2 2 395.370 3.959 20 0 GHADLP Fc1ccc(Cl)c(F)c1C[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279425466 1047802599 /nfs/dbraw/zinc/80/25/99/1047802599.db2.gz GOFAQKIJSZUDEC-UHFFFAOYSA-N 2 2 380.870 3.829 20 0 GHADLP Fc1ccc(Cl)c(F)c1C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279425466 1047802607 /nfs/dbraw/zinc/80/26/07/1047802607.db2.gz GOFAQKIJSZUDEC-UHFFFAOYSA-N 2 2 380.870 3.829 20 0 GHADLP Cc1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](CC4CCSCC4)C3)C2)n(C)n1 ZINC001279644001 1047888879 /nfs/dbraw/zinc/88/88/79/1047888879.db2.gz FTUTVJXIJZLLQK-NRFANRHFSA-N 2 2 376.614 3.550 20 0 GHADLP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH+](CC4CCSCC4)C3)C2)n(C)n1 ZINC001279644001 1047888894 /nfs/dbraw/zinc/88/88/94/1047888894.db2.gz FTUTVJXIJZLLQK-NRFANRHFSA-N 2 2 376.614 3.550 20 0 GHADLP Cc1cc(C[NH+]2CCC[C@]3(CCC[N@H+](CC4CCSCC4)C3)C2)n(C)n1 ZINC001279644001 1047888912 /nfs/dbraw/zinc/88/89/12/1047888912.db2.gz FTUTVJXIJZLLQK-NRFANRHFSA-N 2 2 376.614 3.550 20 0 GHADLP Cc1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](CC4CCSCC4)C3)C2)n(C)n1 ZINC001279644001 1047888925 /nfs/dbraw/zinc/88/89/25/1047888925.db2.gz FTUTVJXIJZLLQK-NRFANRHFSA-N 2 2 376.614 3.550 20 0 GHADLP Fc1c(Cl)cc(C[NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)cc1Cl ZINC001279647434 1047889951 /nfs/dbraw/zinc/88/99/51/1047889951.db2.gz MOHFEZMYBUUHCW-UHFFFAOYSA-N 2 2 397.325 3.927 20 0 GHADLP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3csc(C(F)(F)F)c3)(C1)CCC2 ZINC001279712105 1047930903 /nfs/dbraw/zinc/93/09/03/1047930903.db2.gz WZAMHXDQFGRRJA-DLBZAZTESA-N 2 2 375.504 3.853 20 0 GHADLP COc1cc(F)c(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cc1Cl ZINC001280234559 1048139944 /nfs/dbraw/zinc/13/99/44/1048139944.db2.gz STJWNAOHHIAUQW-UXHICEINSA-N 2 2 383.939 3.574 20 0 GHADLP CC1(C)CCC[C@](CO)([NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001307941663 1049712891 /nfs/dbraw/zinc/71/28/91/1049712891.db2.gz PMUQIIDPYJHQIO-QFIPXVFZSA-N 2 2 394.003 3.773 20 0 GHADLP Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)cc1 ZINC001307977146 1049735366 /nfs/dbraw/zinc/73/53/66/1049735366.db2.gz YYKNAYYCGZNBBZ-UHFFFAOYSA-N 2 2 388.515 3.884 20 0 GHADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001308180401 1049903096 /nfs/dbraw/zinc/90/30/96/1049903096.db2.gz CUQNDYVOYOOSLD-GOSISDBHSA-N 2 2 393.572 3.659 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3cn(C)nc3C3CCCC3)CC2)c1 ZINC001308188207 1049905635 /nfs/dbraw/zinc/90/56/35/1049905635.db2.gz AWTUYSGUOCJFGA-UHFFFAOYSA-N 2 2 395.595 3.688 20 0 GHADLP COC[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1ccccc1 ZINC001308334849 1049951576 /nfs/dbraw/zinc/95/15/76/1049951576.db2.gz KTFXKPZSOFARIF-QGZVFWFLSA-N 2 2 378.419 3.547 20 0 GHADLP Cc1ccc(C[C@@H](C)[N@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001308574262 1050015382 /nfs/dbraw/zinc/01/53/82/1050015382.db2.gz QZLBPAWKQMZPLF-OAQYLSRUSA-N 2 2 382.548 3.769 20 0 GHADLP Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001308574262 1050015390 /nfs/dbraw/zinc/01/53/90/1050015390.db2.gz QZLBPAWKQMZPLF-OAQYLSRUSA-N 2 2 382.548 3.769 20 0 GHADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001308780087 1050090952 /nfs/dbraw/zinc/09/09/52/1050090952.db2.gz XEOSAJPZULXIIZ-IRXDYDNUSA-N 2 2 389.531 3.731 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)C2)CC1 ZINC001308841001 1050118603 /nfs/dbraw/zinc/11/86/03/1050118603.db2.gz QFUFJESJZLJVDM-RBUKOAKNSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)C2)CC1 ZINC001308841001 1050118608 /nfs/dbraw/zinc/11/86/08/1050118608.db2.gz QFUFJESJZLJVDM-RBUKOAKNSA-N 2 2 377.573 3.773 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C[C@@H]1C ZINC001308919844 1050169801 /nfs/dbraw/zinc/16/98/01/1050169801.db2.gz SXXCKFZVEWNMQU-XODARUQUSA-N 2 2 385.552 3.751 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]c2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C[C@@H]1C ZINC001308919844 1050169808 /nfs/dbraw/zinc/16/98/08/1050169808.db2.gz SXXCKFZVEWNMQU-XODARUQUSA-N 2 2 385.552 3.751 20 0 GHADLP CC[C@H]1[C@H](C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)CCN1C(=O)OC(C)(C)C ZINC001330127183 1050962037 /nfs/dbraw/zinc/96/20/37/1050962037.db2.gz KWTNDIYYVPNTRX-WBVHZDCISA-N 2 2 399.495 3.550 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001310675161 1051524500 /nfs/dbraw/zinc/52/45/00/1051524500.db2.gz PEMWYKHELINWFD-FQEVSTJZSA-N 2 2 377.492 3.901 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001310675161 1051524516 /nfs/dbraw/zinc/52/45/16/1051524516.db2.gz PEMWYKHELINWFD-FQEVSTJZSA-N 2 2 377.492 3.901 20 0 GHADLP CCNc1cc(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc[nH+]1 ZINC001311492734 1052199537 /nfs/dbraw/zinc/19/95/37/1052199537.db2.gz FFNAVFNBVWRIQX-SFHVURJKSA-N 2 2 395.551 3.887 20 0 GHADLP CCNc1cc(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc[nH+]1 ZINC001311492734 1052199541 /nfs/dbraw/zinc/19/95/41/1052199541.db2.gz FFNAVFNBVWRIQX-SFHVURJKSA-N 2 2 395.551 3.887 20 0 GHADLP CC[NH+](CC)CC[C@H](NC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC001311775963 1052389917 /nfs/dbraw/zinc/38/99/17/1052389917.db2.gz AESNIUDGUIMJQV-FQEVSTJZSA-N 2 2 398.551 3.979 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC001312854852 1052893818 /nfs/dbraw/zinc/89/38/18/1052893818.db2.gz JJCSSLFGIRASNL-AZUAARDMSA-N 2 2 394.991 3.549 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC001312854852 1052893822 /nfs/dbraw/zinc/89/38/22/1052893822.db2.gz JJCSSLFGIRASNL-AZUAARDMSA-N 2 2 394.991 3.549 20 0 GHADLP C[C@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC001313164024 1052973609 /nfs/dbraw/zinc/97/36/09/1052973609.db2.gz IQHBFEMNVAZKOT-NNWRFLSQSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@H]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC001313164024 1052973611 /nfs/dbraw/zinc/97/36/11/1052973611.db2.gz IQHBFEMNVAZKOT-NNWRFLSQSA-N 2 2 395.551 3.530 20 0 GHADLP CCOc1ccc(OCCCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001318603482 1054745156 /nfs/dbraw/zinc/74/51/56/1054745156.db2.gz GADGWXZEHDBXEY-UHFFFAOYSA-N 2 2 380.448 3.772 20 0 GHADLP Cc1cn2cc(NC(=O)N3CCC[N@H+](Cc4ccc(C)cc4)CC3)ccc2[nH+]1 ZINC001318696511 1054801989 /nfs/dbraw/zinc/80/19/89/1054801989.db2.gz QMMWAGOICKPEPA-UHFFFAOYSA-N 2 2 377.492 3.691 20 0 GHADLP Cc1cn2cc(NC(=O)N3CCC[N@@H+](Cc4ccc(C)cc4)CC3)ccc2[nH+]1 ZINC001318696511 1054801992 /nfs/dbraw/zinc/80/19/92/1054801992.db2.gz QMMWAGOICKPEPA-UHFFFAOYSA-N 2 2 377.492 3.691 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nnc([C@@H](C)C[NH+]2CCC(C)CC2)o1 ZINC001345561413 1055109221 /nfs/dbraw/zinc/10/92/21/1055109221.db2.gz GZBXEKWUOPUEJB-ZDUSSCGKSA-N 2 2 389.450 3.890 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccc(OCc2ccccn2)cc1 ZINC001319414540 1055237070 /nfs/dbraw/zinc/23/70/70/1055237070.db2.gz BJUDTPZZYYLZIS-UHFFFAOYSA-N 2 2 399.454 3.731 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001319767722 1055456506 /nfs/dbraw/zinc/45/65/06/1055456506.db2.gz UNVHKVUFGGMDDM-QGZVFWFLSA-N 2 2 391.258 3.945 20 0 GHADLP Cc1c(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)ccc2c[nH+]cn21 ZINC001320839298 1055982316 /nfs/dbraw/zinc/98/23/16/1055982316.db2.gz JXWOJLKLZGTGCI-UHFFFAOYSA-N 2 2 388.475 3.757 20 0 GHADLP Cc1c(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)ccc2c[nH+]cn21 ZINC001320839298 1055982320 /nfs/dbraw/zinc/98/23/20/1055982320.db2.gz JXWOJLKLZGTGCI-UHFFFAOYSA-N 2 2 388.475 3.757 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC001321342789 1056229162 /nfs/dbraw/zinc/22/91/62/1056229162.db2.gz CYNMQKRZIMWGEG-UHFFFAOYSA-N 2 2 379.479 3.889 20 0 GHADLP C/C=C\c1ccc(OCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(OC)c1 ZINC001322844869 1056865325 /nfs/dbraw/zinc/86/53/25/1056865325.db2.gz DVVFAJJYIAYIML-PLNGDYQASA-N 2 2 378.432 3.635 20 0 GHADLP C[C@@H]([NH2+]Cc1cc(OCC(F)F)ccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001323605302 1056990570 /nfs/dbraw/zinc/99/05/70/1056990570.db2.gz JJQIIKCJHXJNHZ-SJLPKXTDSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@@H]([NH2+]Cc1cc(OCC(F)F)ccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001323605302 1056990573 /nfs/dbraw/zinc/99/05/73/1056990573.db2.gz JJQIIKCJHXJNHZ-SJLPKXTDSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@@H](C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC001324472480 1057142347 /nfs/dbraw/zinc/14/23/47/1057142347.db2.gz KVZSJIIVMSNICT-RXVVDRJESA-N 2 2 380.536 3.593 20 0 GHADLP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848527057 1057150213 /nfs/dbraw/zinc/15/02/13/1057150213.db2.gz QJAHWTPFYWYHEB-NRFANRHFSA-N 2 2 382.552 3.531 20 0 GHADLP C[NH+](C)[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000849091261 1057591113 /nfs/dbraw/zinc/59/11/13/1057591113.db2.gz PZUKMZVCMADTKH-KRWDZBQOSA-N 2 2 382.405 3.761 20 0 GHADLP C[C@H]1C[C@H](NC(=O)c2c[nH+]ccc2Nc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001445788187 1059617429 /nfs/dbraw/zinc/61/74/29/1059617429.db2.gz IMDHLJDYFKDNDE-RXVVDRJESA-N 2 2 386.499 3.640 20 0 GHADLP C[C@H]1C[C@H](NC(=O)c2c[nH+]ccc2Nc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001445788187 1059617436 /nfs/dbraw/zinc/61/74/36/1059617436.db2.gz IMDHLJDYFKDNDE-RXVVDRJESA-N 2 2 386.499 3.640 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)C1 ZINC001342079597 1061044947 /nfs/dbraw/zinc/04/49/47/1061044947.db2.gz KVENAHPYTCCKAD-HKUYNNGSSA-N 2 2 394.519 3.660 20 0 GHADLP CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC001347454618 1062396833 /nfs/dbraw/zinc/39/68/33/1062396833.db2.gz SPWDWACCWBEVKN-KRWDZBQOSA-N 2 2 381.524 3.740 20 0 GHADLP CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC001347454618 1062396857 /nfs/dbraw/zinc/39/68/57/1062396857.db2.gz SPWDWACCWBEVKN-KRWDZBQOSA-N 2 2 381.524 3.740 20 0 GHADLP CCC[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC001435672005 1062836401 /nfs/dbraw/zinc/83/64/01/1062836401.db2.gz FQROHACPTLIBQE-NRFANRHFSA-N 2 2 376.504 3.769 20 0 GHADLP CCC[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC001435672005 1062836427 /nfs/dbraw/zinc/83/64/27/1062836427.db2.gz FQROHACPTLIBQE-NRFANRHFSA-N 2 2 376.504 3.769 20 0 GHADLP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)Nc3ccccc3-c3[nH+]cc4n3CCCC4)C[N@@H+]2C1 ZINC001348588598 1063232298 /nfs/dbraw/zinc/23/22/98/1063232298.db2.gz FHVIGKKWIWJGNP-KURKYZTESA-N 2 2 378.520 3.945 20 0 GHADLP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)Nc3ccccc3-c3[nH+]cc4n3CCCC4)C[N@H+]2C1 ZINC001348588598 1063232315 /nfs/dbraw/zinc/23/23/15/1063232315.db2.gz FHVIGKKWIWJGNP-KURKYZTESA-N 2 2 378.520 3.945 20 0 GHADLP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001457611855 1063277396 /nfs/dbraw/zinc/27/73/96/1063277396.db2.gz KADLVLBPTPADRH-SFHVURJKSA-N 2 2 383.540 3.752 20 0 GHADLP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001457611855 1063277417 /nfs/dbraw/zinc/27/74/17/1063277417.db2.gz KADLVLBPTPADRH-SFHVURJKSA-N 2 2 383.540 3.752 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001459304984 1064054004 /nfs/dbraw/zinc/05/40/04/1064054004.db2.gz YUOQLWZUXMMVMS-FPOVZHCZSA-N 2 2 397.588 3.866 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001459304984 1064054012 /nfs/dbraw/zinc/05/40/12/1064054012.db2.gz YUOQLWZUXMMVMS-FPOVZHCZSA-N 2 2 397.588 3.866 20 0 GHADLP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001459603408 1064139157 /nfs/dbraw/zinc/13/91/57/1064139157.db2.gz RCJCNZFKPIINBZ-URXFXBBRSA-N 2 2 385.596 3.868 20 0 GHADLP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001459603408 1064139163 /nfs/dbraw/zinc/13/91/63/1064139163.db2.gz RCJCNZFKPIINBZ-URXFXBBRSA-N 2 2 385.596 3.868 20 0 GHADLP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001459603408 1064139172 /nfs/dbraw/zinc/13/91/72/1064139172.db2.gz RCJCNZFKPIINBZ-URXFXBBRSA-N 2 2 385.596 3.868 20 0 GHADLP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001459603408 1064139178 /nfs/dbraw/zinc/13/91/78/1064139178.db2.gz RCJCNZFKPIINBZ-URXFXBBRSA-N 2 2 385.596 3.868 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1nc(-c2ccco2)c(C)s1 ZINC001465206613 1065461148 /nfs/dbraw/zinc/46/11/48/1065461148.db2.gz OCQIXGBDAJRPIY-UHFFFAOYSA-N 2 2 379.445 3.782 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC001465395045 1065585101 /nfs/dbraw/zinc/58/51/01/1065585101.db2.gz LUNNJRDXPZALIZ-FGZHOGPDSA-N 2 2 394.563 3.794 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC001465395045 1065585118 /nfs/dbraw/zinc/58/51/18/1065585118.db2.gz LUNNJRDXPZALIZ-FGZHOGPDSA-N 2 2 394.563 3.794 20 0 GHADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001477594678 1078481578 /nfs/dbraw/zinc/48/15/78/1078481578.db2.gz JKNRWHNIZMHASP-CEXWTWQISA-N 2 2 389.588 3.648 20 0 GHADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001477594678 1078481587 /nfs/dbraw/zinc/48/15/87/1078481587.db2.gz JKNRWHNIZMHASP-CEXWTWQISA-N 2 2 389.588 3.648 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)c1ccc(F)cc1 ZINC001467374048 1067259760 /nfs/dbraw/zinc/25/97/60/1067259760.db2.gz XVOOMUGNGDILIT-IBGZPJMESA-N 2 2 385.487 3.635 20 0 GHADLP CC1([NH+]2CCCCC2)CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC001468227484 1067640715 /nfs/dbraw/zinc/64/07/15/1067640715.db2.gz GPYZVZHJEZXTAV-UHFFFAOYSA-N 2 2 399.514 3.561 20 0 GHADLP CC(C)Cc1ccc([C@H](CNC(=O)NCc2ccn3cc[nH+]c3c2)[NH+](C)C)cc1 ZINC001469333349 1068108110 /nfs/dbraw/zinc/10/81/10/1068108110.db2.gz KGLQAZURBDMPQF-NRFANRHFSA-N 2 2 393.535 3.635 20 0 GHADLP CN(C(=O)NCCC(C)(C)C1CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001470338949 1068688055 /nfs/dbraw/zinc/68/80/55/1068688055.db2.gz CLZMBVXIVVHOHU-LEWJYISDSA-N 2 2 392.632 3.791 20 0 GHADLP CN(C(=O)NCCC(C)(C)C1CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001470338949 1068688062 /nfs/dbraw/zinc/68/80/62/1068688062.db2.gz CLZMBVXIVVHOHU-LEWJYISDSA-N 2 2 392.632 3.791 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)c1cc2ccccc2o1 ZINC001460706740 1069105728 /nfs/dbraw/zinc/10/57/28/1069105728.db2.gz IOZCGXLBIFVBBU-BZSNNMDCSA-N 2 2 392.503 3.604 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)c1cc2ccccc2o1 ZINC001460706740 1069105745 /nfs/dbraw/zinc/10/57/45/1069105745.db2.gz IOZCGXLBIFVBBU-BZSNNMDCSA-N 2 2 392.503 3.604 20 0 GHADLP CC(C)(C)OC(=O)Nc1cccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001460776927 1069171427 /nfs/dbraw/zinc/17/14/27/1069171427.db2.gz MTQCZNDOVNKIFI-UHFFFAOYSA-N 2 2 389.540 3.767 20 0 GHADLP O=C(CC[N@@H+]1CCCCC12CCCCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC001460956249 1069295788 /nfs/dbraw/zinc/29/57/88/1069295788.db2.gz ICHCMBWBHUEROB-UHFFFAOYSA-N 2 2 384.568 3.699 20 0 GHADLP O=C(CC[N@H+]1CCCCC12CCCCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC001460956249 1069295794 /nfs/dbraw/zinc/29/57/94/1069295794.db2.gz ICHCMBWBHUEROB-UHFFFAOYSA-N 2 2 384.568 3.699 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001470781568 1072736918 /nfs/dbraw/zinc/73/69/18/1072736918.db2.gz WWTJOZLNYUNFBA-CVDCTZTESA-N 2 2 388.515 3.572 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001470781568 1072736921 /nfs/dbraw/zinc/73/69/21/1072736921.db2.gz WWTJOZLNYUNFBA-CVDCTZTESA-N 2 2 388.515 3.572 20 0 GHADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC001478741452 1078972883 /nfs/dbraw/zinc/97/28/83/1078972883.db2.gz WGGFBABKVBTSII-WIYYLYMNSA-N 2 2 392.563 3.724 20 0 GHADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC001478741452 1078972886 /nfs/dbraw/zinc/97/28/86/1078972886.db2.gz WGGFBABKVBTSII-WIYYLYMNSA-N 2 2 392.563 3.724 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CC3CCC(C(F)(F)F)CC3)c2)CC1 ZINC001471047963 1072903686 /nfs/dbraw/zinc/90/36/86/1072903686.db2.gz FJUQRIGEMVVTBE-UHFFFAOYSA-N 2 2 384.446 3.531 20 0 GHADLP Cc1nc(-c2ccccc2)oc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001473143220 1073805947 /nfs/dbraw/zinc/80/59/47/1073805947.db2.gz GVPHACXHFAJYNV-RTBURBONSA-N 2 2 382.552 3.640 20 0 GHADLP CC(C)(C)OC(=O)c1ccccc1OCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001473694901 1074091498 /nfs/dbraw/zinc/09/14/98/1074091498.db2.gz BHAFCMWSPXGPEH-UHFFFAOYSA-N 2 2 388.552 3.971 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 ZINC001473728063 1074112117 /nfs/dbraw/zinc/11/21/17/1074112117.db2.gz MTKFLMVCYZURIK-REWPJTCUSA-N 2 2 388.502 3.855 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 ZINC001473728063 1074112121 /nfs/dbraw/zinc/11/21/21/1074112121.db2.gz MTKFLMVCYZURIK-REWPJTCUSA-N 2 2 388.502 3.855 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 ZINC001473728063 1074112122 /nfs/dbraw/zinc/11/21/22/1074112122.db2.gz MTKFLMVCYZURIK-REWPJTCUSA-N 2 2 388.502 3.855 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 ZINC001473728063 1074112123 /nfs/dbraw/zinc/11/21/23/1074112123.db2.gz MTKFLMVCYZURIK-REWPJTCUSA-N 2 2 388.502 3.855 20 0 GHADLP Cc1noc(CCC[NH2+][C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)n1 ZINC001473843772 1074171036 /nfs/dbraw/zinc/17/10/36/1074171036.db2.gz LNZOITXQJJQMIX-LADGPHEKSA-N 2 2 390.531 3.959 20 0 GHADLP Cc1noc(CCC[NH2+][C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)n1 ZINC001473843772 1074171039 /nfs/dbraw/zinc/17/10/39/1074171039.db2.gz LNZOITXQJJQMIX-LADGPHEKSA-N 2 2 390.531 3.959 20 0 GHADLP CC[NH+]1CCN(c2ccc(NCc3c[nH+]c(C)n3-c3ccccc3)cc2)CC1 ZINC001473945270 1074213703 /nfs/dbraw/zinc/21/37/03/1074213703.db2.gz BMKPMHTXNIAGOY-UHFFFAOYSA-N 2 2 375.520 3.935 20 0 GHADLP CCCOc1cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)ccc1OC ZINC001474077060 1074255931 /nfs/dbraw/zinc/25/59/31/1074255931.db2.gz SEPMNSQMXUDKMG-LJQANCHMSA-N 2 2 384.524 3.631 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2I)C1 ZINC001474078012 1074256718 /nfs/dbraw/zinc/25/67/18/1074256718.db2.gz ASUSJTWHHVKLCJ-HNNXBMFYSA-N 2 2 386.321 3.749 20 0 GHADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2I)C1 ZINC001474078012 1074256720 /nfs/dbraw/zinc/25/67/20/1074256720.db2.gz ASUSJTWHHVKLCJ-HNNXBMFYSA-N 2 2 386.321 3.749 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001474137058 1074273673 /nfs/dbraw/zinc/27/36/73/1074273673.db2.gz ZXAWOJDXMOPBLU-HCXYKTFWSA-N 2 2 379.589 3.732 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001474137058 1074273679 /nfs/dbraw/zinc/27/36/79/1074273679.db2.gz ZXAWOJDXMOPBLU-HCXYKTFWSA-N 2 2 379.589 3.732 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccc(-c2cc[nH]n2)o1 ZINC001474254037 1074311545 /nfs/dbraw/zinc/31/15/45/1074311545.db2.gz JITAWVMWDXWCJY-UHFFFAOYSA-N 2 2 378.480 3.973 20 0 GHADLP COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001474343857 1074354350 /nfs/dbraw/zinc/35/43/50/1074354350.db2.gz WWVWFFMEWWUZFU-HSZRJFAPSA-N 2 2 396.531 3.743 20 0 GHADLP COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001474343857 1074354358 /nfs/dbraw/zinc/35/43/58/1074354358.db2.gz WWVWFFMEWWUZFU-HSZRJFAPSA-N 2 2 396.531 3.743 20 0 GHADLP Cc1cccc(C2=CC[N@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)CC2)c1 ZINC001474432944 1074403696 /nfs/dbraw/zinc/40/36/96/1074403696.db2.gz GPLWTROZTDMLDW-UHFFFAOYSA-N 2 2 392.543 3.995 20 0 GHADLP Cc1cccc(C2=CC[N@@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)CC2)c1 ZINC001474432944 1074403701 /nfs/dbraw/zinc/40/37/01/1074403701.db2.gz GPLWTROZTDMLDW-UHFFFAOYSA-N 2 2 392.543 3.995 20 0 GHADLP C[C@H]1C[C@@H](NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c2[nH+]ccn21 ZINC000333157018 570731134 /nfs/dbraw/zinc/73/11/34/570731134.db2.gz GOQIUTQYUKGNBA-AZUAARDMSA-N 2 2 393.535 3.587 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820414361 599377185 /nfs/dbraw/zinc/37/71/85/599377185.db2.gz YBVDFHHPMVXFJX-IRXDYDNUSA-N 2 2 376.508 3.743 20 0 GHADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2[nH+]cnc4[nH]c(C)c(C)c42)CC3)cs1 ZINC001164693999 719809232 /nfs/dbraw/zinc/80/92/32/719809232.db2.gz TVOBFPODRPJHOC-UHFFFAOYSA-N 2 2 396.564 3.975 20 0 GHADLP Cc1nc(C[N@H+]2CCCC23CCN(c2[nH+]cnc4[nH]c(C)c(C)c42)CC3)cs1 ZINC001164693999 719809233 /nfs/dbraw/zinc/80/92/33/719809233.db2.gz TVOBFPODRPJHOC-UHFFFAOYSA-N 2 2 396.564 3.975 20 0 GHADLP COc1cc2cc[nH+]c(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2cc1OC ZINC001164729072 720391120 /nfs/dbraw/zinc/39/11/20/720391120.db2.gz UYQNNPPUUMABSX-PMACEKPBSA-N 2 2 390.487 3.500 20 0 GHADLP COc1cc2cc[nH+]c(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2cc1OC ZINC001164729072 720391124 /nfs/dbraw/zinc/39/11/24/720391124.db2.gz UYQNNPPUUMABSX-PMACEKPBSA-N 2 2 390.487 3.500 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3cc(C)cc(C[NH+](C)C)c3)cn2c1 ZINC000536220626 837560084 /nfs/dbraw/zinc/56/00/84/837560084.db2.gz OCRTWTFJSJDZLK-UHFFFAOYSA-N 2 2 382.533 3.885 20 0 GHADLP CCN(CC)[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655684859 837669405 /nfs/dbraw/zinc/66/94/05/837669405.db2.gz ZOAMKNGDVDJYCI-WIYYLYMNSA-N 2 2 379.976 3.566 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCS2 ZINC000655717208 837727376 /nfs/dbraw/zinc/72/73/76/837727376.db2.gz YAAHSCDQNHLAHN-DOTOQJQBSA-N 2 2 397.382 3.829 20 0 GHADLP CN(C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683097164 834459035 /nfs/dbraw/zinc/45/90/35/834459035.db2.gz DMBJDVMEOBBEKE-GIWBLDEGSA-N 2 2 398.595 3.523 20 0 GHADLP CN(C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683097164 834459038 /nfs/dbraw/zinc/45/90/38/834459038.db2.gz DMBJDVMEOBBEKE-GIWBLDEGSA-N 2 2 398.595 3.523 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000655743382 837795262 /nfs/dbraw/zinc/79/52/62/837795262.db2.gz HJJZJMQAKYOHRY-XJKSGUPXSA-N 2 2 377.330 3.516 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000655743382 837795268 /nfs/dbraw/zinc/79/52/68/837795268.db2.gz HJJZJMQAKYOHRY-XJKSGUPXSA-N 2 2 377.330 3.516 20 0 GHADLP c1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n(-c2cc[nH+]cc2)n1 ZINC000657772970 834724617 /nfs/dbraw/zinc/72/46/17/834724617.db2.gz PDNKYTPAXZCTEP-NRFANRHFSA-N 3 2 387.531 3.659 20 0 GHADLP c1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n(-c2cc[nH+]cc2)n1 ZINC000657772970 834724622 /nfs/dbraw/zinc/72/46/22/834724622.db2.gz PDNKYTPAXZCTEP-NRFANRHFSA-N 3 2 387.531 3.659 20 0 GHADLP O[C@@H](C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1)Cc1ccccc1C(F)(F)F ZINC000579943501 837816463 /nfs/dbraw/zinc/81/64/63/837816463.db2.gz MEAHHVCRSQZQEC-GOSISDBHSA-N 2 2 375.394 3.584 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cc2ccncc2s1 ZINC000657890397 835018073 /nfs/dbraw/zinc/01/80/73/835018073.db2.gz VUDQRFMRFITBFK-FFZOFVMBSA-N 2 2 381.545 3.830 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cc2ccncc2s1 ZINC000657890397 835018078 /nfs/dbraw/zinc/01/80/78/835018078.db2.gz VUDQRFMRFITBFK-FFZOFVMBSA-N 2 2 381.545 3.830 20 0 GHADLP CN(Cc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457967 835024090 /nfs/dbraw/zinc/02/40/90/835024090.db2.gz VDAPJTMTUKONQI-QGZVFWFLSA-N 2 2 389.893 3.959 20 0 GHADLP CN(Cc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457967 835024099 /nfs/dbraw/zinc/02/40/99/835024099.db2.gz VDAPJTMTUKONQI-QGZVFWFLSA-N 2 2 389.893 3.959 20 0 GHADLP Cc1c(Br)cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1Br ZINC000685629726 835238462 /nfs/dbraw/zinc/23/84/62/835238462.db2.gz JUYJDCLAPQFZDS-NSHDSACASA-N 2 2 399.130 3.890 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092576 835417044 /nfs/dbraw/zinc/41/70/44/835417044.db2.gz QNDFTESIYPZOMU-XJKSGUPXSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092576 835417049 /nfs/dbraw/zinc/41/70/49/835417049.db2.gz QNDFTESIYPZOMU-XJKSGUPXSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471175965 835448753 /nfs/dbraw/zinc/44/87/53/835448753.db2.gz GWMUACDZEZKECC-CHWSQXEVSA-N 2 2 382.386 3.515 20 0 GHADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471175965 835448755 /nfs/dbraw/zinc/44/87/55/835448755.db2.gz GWMUACDZEZKECC-CHWSQXEVSA-N 2 2 382.386 3.515 20 0 GHADLP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CSC2 ZINC000658185582 835491878 /nfs/dbraw/zinc/49/18/78/835491878.db2.gz JCXBANWAANIZOW-AEFFLSMTSA-N 2 2 397.382 3.580 20 0 GHADLP Cc1ccc(CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C2CC2)cc1C ZINC000154330238 835545762 /nfs/dbraw/zinc/54/57/62/835545762.db2.gz MIFSMFDTGVZSLZ-UHFFFAOYSA-N 2 2 398.595 3.536 20 0 GHADLP Brc1cccc(C2CC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)c1 ZINC000658293788 835559045 /nfs/dbraw/zinc/55/90/45/835559045.db2.gz COHGHJLLIPSPLT-PPSBMQLTSA-N 2 2 379.342 3.538 20 0 GHADLP Clc1cc(Br)cc2c1CC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295069 835559159 /nfs/dbraw/zinc/55/91/59/835559159.db2.gz RBBUQHSQWOGGLH-RDTXWAMCSA-N 2 2 399.760 3.933 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2cccc(Br)c21 ZINC000658296354 835561523 /nfs/dbraw/zinc/56/15/23/835561523.db2.gz ZCFCZZMCDPSZFH-SIIHOXLZSA-N 2 2 379.342 3.840 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccccc1C[NH+](C)C ZINC000433381070 844076136 /nfs/dbraw/zinc/07/61/36/844076136.db2.gz HOPITXDBDDLXAF-UHFFFAOYSA-N 2 2 380.536 3.522 20 0 GHADLP COc1cccc(OC(F)(F)F)c1C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000513001570 844094102 /nfs/dbraw/zinc/09/41/02/844094102.db2.gz JUULCTAXCMSNBP-UHFFFAOYSA-N 2 2 392.381 3.773 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC[C@@H]21 ZINC000584377991 835944332 /nfs/dbraw/zinc/94/43/32/835944332.db2.gz OXPZRUAUDMOGNF-APWZRJJASA-N 2 2 378.442 3.807 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC[C@@H]21 ZINC000584377991 835944339 /nfs/dbraw/zinc/94/43/39/835944339.db2.gz OXPZRUAUDMOGNF-APWZRJJASA-N 2 2 378.442 3.807 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC[C@@H]21 ZINC000584377991 835944347 /nfs/dbraw/zinc/94/43/47/835944347.db2.gz OXPZRUAUDMOGNF-APWZRJJASA-N 2 2 378.442 3.807 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC[C@@H]21 ZINC000584377991 835944358 /nfs/dbraw/zinc/94/43/58/835944358.db2.gz OXPZRUAUDMOGNF-APWZRJJASA-N 2 2 378.442 3.807 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000547748306 836000958 /nfs/dbraw/zinc/00/09/58/836000958.db2.gz BAHFLFYXZHYBBS-QUCCMNQESA-N 2 2 386.584 3.730 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000547748306 836000964 /nfs/dbraw/zinc/00/09/64/836000964.db2.gz BAHFLFYXZHYBBS-QUCCMNQESA-N 2 2 386.584 3.730 20 0 GHADLP CN(C(=O)c1cc2sccc2[nH]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000430295564 836069868 /nfs/dbraw/zinc/06/98/68/836069868.db2.gz QYCHZRURXMLTSO-MOPGFXCFSA-N 2 2 388.581 3.639 20 0 GHADLP CN(C(=O)c1cc2sccc2[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000430295564 836069880 /nfs/dbraw/zinc/06/98/80/836069880.db2.gz QYCHZRURXMLTSO-MOPGFXCFSA-N 2 2 388.581 3.639 20 0 GHADLP CN(C)C(=O)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000570091753 836380351 /nfs/dbraw/zinc/38/03/51/836380351.db2.gz HUJUBCKVNFHQOG-PKTZIBPZSA-N 2 2 391.559 3.993 20 0 GHADLP CN(C)C(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000570091753 836380371 /nfs/dbraw/zinc/38/03/71/836380371.db2.gz HUJUBCKVNFHQOG-PKTZIBPZSA-N 2 2 391.559 3.993 20 0 GHADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)C1 ZINC000120793345 836538390 /nfs/dbraw/zinc/53/83/90/836538390.db2.gz CKYZUIUJPINYBV-INIZCTEOSA-N 2 2 381.351 3.978 20 0 GHADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)C1 ZINC000120793345 836538400 /nfs/dbraw/zinc/53/84/00/836538400.db2.gz CKYZUIUJPINYBV-INIZCTEOSA-N 2 2 381.351 3.978 20 0 GHADLP C[NH+](C)CCOc1ccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c(F)c1 ZINC000413901777 836695741 /nfs/dbraw/zinc/69/57/41/836695741.db2.gz NMYCQNWTHGHKLG-IBGZPJMESA-N 2 2 393.890 3.661 20 0 GHADLP Cc1cc(Cl)c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1C ZINC000180873424 844199601 /nfs/dbraw/zinc/19/96/01/844199601.db2.gz BYAZOZIXAMMDEX-UHFFFAOYSA-N 2 2 377.960 3.637 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Br)cc(Br)c1 ZINC000570437284 836865097 /nfs/dbraw/zinc/86/50/97/836865097.db2.gz QSOBUUCSGWITHZ-UHFFFAOYSA-N 2 2 387.119 3.930 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Br)cc(Br)c1 ZINC000570437284 836865103 /nfs/dbraw/zinc/86/51/03/836865103.db2.gz QSOBUUCSGWITHZ-UHFFFAOYSA-N 2 2 387.119 3.930 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000472486663 837101011 /nfs/dbraw/zinc/10/10/11/837101011.db2.gz QZMPXGWVNKFIKF-ZJOUEHCJSA-N 2 2 397.607 3.795 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000472486663 837101017 /nfs/dbraw/zinc/10/10/17/837101017.db2.gz QZMPXGWVNKFIKF-ZJOUEHCJSA-N 2 2 397.607 3.795 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000472486663 837101023 /nfs/dbraw/zinc/10/10/23/837101023.db2.gz QZMPXGWVNKFIKF-ZJOUEHCJSA-N 2 2 397.607 3.795 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000472486663 837101029 /nfs/dbraw/zinc/10/10/29/837101029.db2.gz QZMPXGWVNKFIKF-ZJOUEHCJSA-N 2 2 397.607 3.795 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472486664 837101090 /nfs/dbraw/zinc/10/10/90/837101090.db2.gz QZMPXGWVNKFIKF-ZVDOUQERSA-N 2 2 397.607 3.795 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472486664 837101095 /nfs/dbraw/zinc/10/10/95/837101095.db2.gz QZMPXGWVNKFIKF-ZVDOUQERSA-N 2 2 397.607 3.795 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472486664 837101100 /nfs/dbraw/zinc/10/11/00/837101100.db2.gz QZMPXGWVNKFIKF-ZVDOUQERSA-N 2 2 397.607 3.795 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472486664 837101107 /nfs/dbraw/zinc/10/11/07/837101107.db2.gz QZMPXGWVNKFIKF-ZVDOUQERSA-N 2 2 397.607 3.795 20 0 GHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000893049285 837847030 /nfs/dbraw/zinc/84/70/30/837847030.db2.gz ZJZIWXJWRBIULJ-YLJYHZDGSA-N 2 2 378.438 3.736 20 0 GHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000893049285 837847038 /nfs/dbraw/zinc/84/70/38/837847038.db2.gz ZJZIWXJWRBIULJ-YLJYHZDGSA-N 2 2 378.438 3.736 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2F)CC1 ZINC000052074579 838104938 /nfs/dbraw/zinc/10/49/38/838104938.db2.gz WJNJEJJRVKKMSH-LJQANCHMSA-N 2 2 397.538 3.908 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2F)CC1 ZINC000052074579 838104946 /nfs/dbraw/zinc/10/49/46/838104946.db2.gz WJNJEJJRVKKMSH-LJQANCHMSA-N 2 2 397.538 3.908 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3nc4ccccc4n3C(F)F)C2)CC1 ZINC000377914416 838153025 /nfs/dbraw/zinc/15/30/25/838153025.db2.gz PHHYGJCTUQBVOF-IAGOWNOFSA-N 2 2 391.510 3.593 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3nc4ccccc4n3C(F)F)C2)CC1 ZINC000377914416 838153029 /nfs/dbraw/zinc/15/30/29/838153029.db2.gz PHHYGJCTUQBVOF-IAGOWNOFSA-N 2 2 391.510 3.593 20 0 GHADLP [NH3+]C[C@@H]1CCCc2ccc(C(=O)Nc3ccccc3OCCn3cc[nH+]c3)cc21 ZINC000659288578 838221089 /nfs/dbraw/zinc/22/10/89/838221089.db2.gz KCFZNCCHTVBERS-IBGZPJMESA-N 2 2 390.487 3.593 20 0 GHADLP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000415913265 838269419 /nfs/dbraw/zinc/26/94/19/838269419.db2.gz PFQIBNYAZGRTND-RTWAWAEBSA-N 2 2 375.476 3.653 20 0 GHADLP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000415923730 838275539 /nfs/dbraw/zinc/27/55/39/838275539.db2.gz QFRWVMMGUNOMBB-OALUTQOASA-N 2 2 390.890 3.765 20 0 GHADLP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000415923730 838275546 /nfs/dbraw/zinc/27/55/46/838275546.db2.gz QFRWVMMGUNOMBB-OALUTQOASA-N 2 2 390.890 3.765 20 0 GHADLP CC[N@H+](CCCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000651220259 838276268 /nfs/dbraw/zinc/27/62/68/838276268.db2.gz YVDRNQPSTXQYRD-ICSRJNTNSA-N 2 2 375.561 3.520 20 0 GHADLP CC[N@@H+](CCCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000651220259 838276276 /nfs/dbraw/zinc/27/62/76/838276276.db2.gz YVDRNQPSTXQYRD-ICSRJNTNSA-N 2 2 375.561 3.520 20 0 GHADLP Cc1cc([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)no1 ZINC000580010773 838349586 /nfs/dbraw/zinc/34/95/86/838349586.db2.gz LTVKJEICWLVZRE-CQSZACIVSA-N 2 2 382.430 3.604 20 0 GHADLP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000416022479 838421149 /nfs/dbraw/zinc/42/11/49/838421149.db2.gz ZBJRVJMKRAZQOP-RBUKOAKNSA-N 2 2 390.890 3.765 20 0 GHADLP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000416022479 838421160 /nfs/dbraw/zinc/42/11/60/838421160.db2.gz ZBJRVJMKRAZQOP-RBUKOAKNSA-N 2 2 390.890 3.765 20 0 GHADLP C[C@@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178912900 838488072 /nfs/dbraw/zinc/48/80/72/838488072.db2.gz SZTGPYQLBQLRDK-INIZCTEOSA-N 2 2 379.495 3.880 20 0 GHADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000179592304 838546216 /nfs/dbraw/zinc/54/62/16/838546216.db2.gz LURREUODQYAUBY-QMMLZNLJSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000179592304 838546223 /nfs/dbraw/zinc/54/62/23/838546223.db2.gz LURREUODQYAUBY-QMMLZNLJSA-N 2 2 378.605 3.544 20 0 GHADLP CCCC[C@H](C)N(CCCC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000458126015 844348836 /nfs/dbraw/zinc/34/88/36/844348836.db2.gz LOCSHGYAIJNPID-IBGZPJMESA-N 2 2 380.621 3.935 20 0 GHADLP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)c2ccccc21 ZINC000376706768 838641639 /nfs/dbraw/zinc/64/16/39/838641639.db2.gz MSDLGTUNIVYAPM-SJORKVTESA-N 2 2 398.526 3.508 20 0 GHADLP C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)c2ccccc21 ZINC000376706768 838641645 /nfs/dbraw/zinc/64/16/45/838641645.db2.gz MSDLGTUNIVYAPM-SJORKVTESA-N 2 2 398.526 3.508 20 0 GHADLP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000124213514 838957280 /nfs/dbraw/zinc/95/72/80/838957280.db2.gz BRDXRHOTVRMYED-KGLIPLIRSA-N 2 2 383.323 3.778 20 0 GHADLP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000124213514 838957293 /nfs/dbraw/zinc/95/72/93/838957293.db2.gz BRDXRHOTVRMYED-KGLIPLIRSA-N 2 2 383.323 3.778 20 0 GHADLP CS(=O)(=O)c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000377330202 839320545 /nfs/dbraw/zinc/32/05/45/839320545.db2.gz LCBVWJVWTJIAGZ-UHFFFAOYSA-N 2 2 398.572 3.578 20 0 GHADLP CS(=O)(=O)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000377330202 839320556 /nfs/dbraw/zinc/32/05/56/839320556.db2.gz LCBVWJVWTJIAGZ-UHFFFAOYSA-N 2 2 398.572 3.578 20 0 GHADLP CCc1cnc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)s1 ZINC000544112210 839388143 /nfs/dbraw/zinc/38/81/43/839388143.db2.gz VARZQVWERAIWBU-HNNXBMFYSA-N 2 2 376.545 3.837 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc2c(c1)CCCC2 ZINC001167429853 839996394 /nfs/dbraw/zinc/99/63/94/839996394.db2.gz NOJLVPPJLBYCLG-ACRUOGEOSA-N 2 2 397.607 3.939 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc2c(c1)CCCC2 ZINC001167429853 839996399 /nfs/dbraw/zinc/99/63/99/839996399.db2.gz NOJLVPPJLBYCLG-ACRUOGEOSA-N 2 2 397.607 3.939 20 0 GHADLP O=C(C1CCCCC1)N1CC[NH+](CCNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000500399413 840378228 /nfs/dbraw/zinc/37/82/28/840378228.db2.gz PUZTUGLUOCASJI-UHFFFAOYSA-N 2 2 384.499 3.510 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001125480622 840519273 /nfs/dbraw/zinc/51/92/73/840519273.db2.gz QXFJAHJJHUSHGW-QGZVFWFLSA-N 2 2 380.879 3.986 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001125480622 840519283 /nfs/dbraw/zinc/51/92/83/840519283.db2.gz QXFJAHJJHUSHGW-QGZVFWFLSA-N 2 2 380.879 3.986 20 0 GHADLP C[NH+](C)Cc1cccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000043500276 840757521 /nfs/dbraw/zinc/75/75/21/840757521.db2.gz VCJMCAYAXKKMGX-UHFFFAOYSA-N 2 2 387.553 3.512 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cs2)cc1OC ZINC000430544963 840968301 /nfs/dbraw/zinc/96/83/01/840968301.db2.gz AQANXLMJGZYWCL-GOEBONIOSA-N 2 2 375.538 3.777 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cs2)cc1OC ZINC000430544963 840968312 /nfs/dbraw/zinc/96/83/12/840968312.db2.gz AQANXLMJGZYWCL-GOEBONIOSA-N 2 2 375.538 3.777 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](C(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000510381499 841049956 /nfs/dbraw/zinc/04/99/56/841049956.db2.gz YKDAEYKFZZPDKS-SFHVURJKSA-N 2 2 385.474 3.641 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)c(C)c1 ZINC000417933613 841289149 /nfs/dbraw/zinc/28/91/49/841289149.db2.gz OJRAERHDHXCSAM-AVRDEDQJSA-N 2 2 391.519 3.760 20 0 GHADLP CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1F ZINC000661487423 841805905 /nfs/dbraw/zinc/80/59/05/841805905.db2.gz OSFVLVYHJDDXFV-QHCPKHFHSA-N 2 2 399.510 3.583 20 0 GHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Br)ccc2Cl)CCCO1 ZINC000432358574 842165519 /nfs/dbraw/zinc/16/55/19/842165519.db2.gz PTSQRDKHUMBKKV-ZDUSSCGKSA-N 2 2 375.738 3.693 20 0 GHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Br)ccc2Cl)CCCO1 ZINC000432358574 842165523 /nfs/dbraw/zinc/16/55/23/842165523.db2.gz PTSQRDKHUMBKKV-ZDUSSCGKSA-N 2 2 375.738 3.693 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000177903506 861280389 /nfs/dbraw/zinc/28/03/89/861280389.db2.gz XEIUYNPFNGDOLH-UZLBHIALSA-N 2 2 393.453 3.979 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000177903506 861280406 /nfs/dbraw/zinc/28/04/06/861280406.db2.gz XEIUYNPFNGDOLH-UZLBHIALSA-N 2 2 393.453 3.979 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(-c2ccccc2)o1 ZINC000581830245 842252102 /nfs/dbraw/zinc/25/21/02/842252102.db2.gz GCFHGJZNNWTQDU-VOBGVNJCSA-N 2 2 381.520 3.681 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(-c2ccccc2)o1 ZINC000581830245 842252111 /nfs/dbraw/zinc/25/21/11/842252111.db2.gz GCFHGJZNNWTQDU-VOBGVNJCSA-N 2 2 381.520 3.681 20 0 GHADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ncc(-c3ccccc3Br)o1)C2 ZINC000652352405 842342381 /nfs/dbraw/zinc/34/23/81/842342381.db2.gz RJSVLUSTZUOJTK-UGSOOPFHSA-N 2 2 376.298 3.665 20 0 GHADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(-c3ccccc3Br)o1)C2 ZINC000652352405 842342392 /nfs/dbraw/zinc/34/23/92/842342392.db2.gz RJSVLUSTZUOJTK-UGSOOPFHSA-N 2 2 376.298 3.665 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)[C@@H]1CC[NH3+] ZINC000652354587 842353307 /nfs/dbraw/zinc/35/33/07/842353307.db2.gz CMWAFZFHLIJWHG-CMPLNLGQSA-N 2 2 385.331 3.510 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)[C@@H]1CC[NH3+] ZINC000652354587 842353316 /nfs/dbraw/zinc/35/33/16/842353316.db2.gz CMWAFZFHLIJWHG-CMPLNLGQSA-N 2 2 385.331 3.510 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CCC(F)CC1 ZINC000661997974 842472589 /nfs/dbraw/zinc/47/25/89/842472589.db2.gz FFUKGPUOOLOISJ-KLAILNCOSA-N 2 2 396.576 3.820 20 0 GHADLP COc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(Br)c1 ZINC000512096842 842478690 /nfs/dbraw/zinc/47/86/90/842478690.db2.gz ABVJKSQUJYWFDB-UHFFFAOYSA-N 2 2 386.293 3.992 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC001126190920 842582879 /nfs/dbraw/zinc/58/28/79/842582879.db2.gz JFIGYNAJNAXYBM-NFBKMPQASA-N 2 2 379.548 3.802 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC001126190920 842582889 /nfs/dbraw/zinc/58/28/89/842582889.db2.gz JFIGYNAJNAXYBM-NFBKMPQASA-N 2 2 379.548 3.802 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156471895 842671762 /nfs/dbraw/zinc/67/17/62/842671762.db2.gz UYBUIPKSTBREPY-KEYYUXOJSA-N 2 2 380.414 3.812 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156471895 842671766 /nfs/dbraw/zinc/67/17/66/842671766.db2.gz UYBUIPKSTBREPY-KEYYUXOJSA-N 2 2 380.414 3.812 20 0 GHADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152305 842772290 /nfs/dbraw/zinc/77/22/90/842772290.db2.gz CTHAEEIUVOOMSR-FDDCHVKYSA-N 2 2 393.531 3.531 20 0 GHADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152305 842772296 /nfs/dbraw/zinc/77/22/96/842772296.db2.gz CTHAEEIUVOOMSR-FDDCHVKYSA-N 2 2 393.531 3.531 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000432305580 843049657 /nfs/dbraw/zinc/04/96/57/843049657.db2.gz CHZMPZQKWAADEN-QZTJIDSGSA-N 2 2 388.515 3.805 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000432305580 843049670 /nfs/dbraw/zinc/04/96/70/843049670.db2.gz CHZMPZQKWAADEN-QZTJIDSGSA-N 2 2 388.515 3.805 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2cccs2)c2ccccc2)[C@H](C)C1 ZINC000429809176 843060337 /nfs/dbraw/zinc/06/03/37/843060337.db2.gz QXJOMZKQVHMTKL-LZNRXBQRSA-N 2 2 385.577 3.616 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2cccs2)c2ccccc2)[C@H](C)C1 ZINC000429809176 843060349 /nfs/dbraw/zinc/06/03/49/843060349.db2.gz QXJOMZKQVHMTKL-LZNRXBQRSA-N 2 2 385.577 3.616 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2cccs2)c2ccccc2)[C@H](C)C1 ZINC000429809176 843060362 /nfs/dbraw/zinc/06/03/62/843060362.db2.gz QXJOMZKQVHMTKL-LZNRXBQRSA-N 2 2 385.577 3.616 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2cccs2)c2ccccc2)[C@H](C)C1 ZINC000429809176 843060370 /nfs/dbraw/zinc/06/03/70/843060370.db2.gz QXJOMZKQVHMTKL-LZNRXBQRSA-N 2 2 385.577 3.616 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244833 843199373 /nfs/dbraw/zinc/19/93/73/843199373.db2.gz PMOHAQAPYJCBSW-BKULYWANSA-N 2 2 383.580 3.764 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244833 843199380 /nfs/dbraw/zinc/19/93/80/843199380.db2.gz PMOHAQAPYJCBSW-BKULYWANSA-N 2 2 383.580 3.764 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512244833 843199386 /nfs/dbraw/zinc/19/93/86/843199386.db2.gz PMOHAQAPYJCBSW-BKULYWANSA-N 2 2 383.580 3.764 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512244833 843199389 /nfs/dbraw/zinc/19/93/89/843199389.db2.gz PMOHAQAPYJCBSW-BKULYWANSA-N 2 2 383.580 3.764 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512253995 843233170 /nfs/dbraw/zinc/23/31/70/843233170.db2.gz SQEYPGMVCAAMHZ-HSZRJFAPSA-N 2 2 382.504 3.727 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512253995 843233179 /nfs/dbraw/zinc/23/31/79/843233179.db2.gz SQEYPGMVCAAMHZ-HSZRJFAPSA-N 2 2 382.504 3.727 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512253995 843233188 /nfs/dbraw/zinc/23/31/88/843233188.db2.gz SQEYPGMVCAAMHZ-HSZRJFAPSA-N 2 2 382.504 3.727 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512253995 843233198 /nfs/dbraw/zinc/23/31/98/843233198.db2.gz SQEYPGMVCAAMHZ-HSZRJFAPSA-N 2 2 382.504 3.727 20 0 GHADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512291368 843326770 /nfs/dbraw/zinc/32/67/70/843326770.db2.gz IFEQNMIUJUDZMA-OFVILXPXSA-N 2 2 391.559 3.804 20 0 GHADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512291368 843326783 /nfs/dbraw/zinc/32/67/83/843326783.db2.gz IFEQNMIUJUDZMA-OFVILXPXSA-N 2 2 391.559 3.804 20 0 GHADLP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512291368 843326792 /nfs/dbraw/zinc/32/67/92/843326792.db2.gz IFEQNMIUJUDZMA-OFVILXPXSA-N 2 2 391.559 3.804 20 0 GHADLP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512291368 843326802 /nfs/dbraw/zinc/32/68/02/843326802.db2.gz IFEQNMIUJUDZMA-OFVILXPXSA-N 2 2 391.559 3.804 20 0 GHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC000066568452 843361974 /nfs/dbraw/zinc/36/19/74/843361974.db2.gz FXXPGXAQRZTZIF-MRXNPFEDSA-N 2 2 395.950 3.806 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000662511645 843368331 /nfs/dbraw/zinc/36/83/31/843368331.db2.gz XOXZENUWZQUTQP-BULFRSBZSA-N 2 2 399.485 3.519 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000662511645 843368336 /nfs/dbraw/zinc/36/83/36/843368336.db2.gz XOXZENUWZQUTQP-BULFRSBZSA-N 2 2 399.485 3.519 20 0 GHADLP COc1cc2cc[nH+]c(NCc3cccc(C[NH+]4CCOCC4)c3)c2cc1OC ZINC000663394109 843474891 /nfs/dbraw/zinc/47/48/91/843474891.db2.gz NTFCHBQRHYLMOC-UHFFFAOYSA-N 2 2 393.487 3.696 20 0 GHADLP CCC[N@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000431072962 843542778 /nfs/dbraw/zinc/54/27/78/843542778.db2.gz HOZZAKOENKXJJA-UHFFFAOYSA-N 2 2 377.838 3.761 20 0 GHADLP CCC[N@@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000431072962 843542782 /nfs/dbraw/zinc/54/27/82/843542782.db2.gz HOZZAKOENKXJJA-UHFFFAOYSA-N 2 2 377.838 3.761 20 0 GHADLP Brc1ccc(C[N@H+](CC[C@@H]2CCCCO2)CCn2cc[nH+]c2)o1 ZINC000510874990 843687570 /nfs/dbraw/zinc/68/75/70/843687570.db2.gz SNAJIIPHRUJOHY-HNNXBMFYSA-N 2 2 382.302 3.700 20 0 GHADLP Brc1ccc(C[N@H+](CCOc2ccccc2)CCn2cc[nH+]c2)o1 ZINC000510917898 843816907 /nfs/dbraw/zinc/81/69/07/843816907.db2.gz BXSSLRQMHNRVCZ-UHFFFAOYSA-N 2 2 390.281 3.820 20 0 GHADLP Brc1ccc(C[N@@H+](CCOc2ccccc2)CCn2cc[nH+]c2)o1 ZINC000510917898 843816924 /nfs/dbraw/zinc/81/69/24/843816924.db2.gz BXSSLRQMHNRVCZ-UHFFFAOYSA-N 2 2 390.281 3.820 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4ccc(N5CCOCC5)c[nH+]4)[C@@H]3C2)cc1 ZINC000512626505 844805586 /nfs/dbraw/zinc/80/55/86/844805586.db2.gz UVDGDAJKXFYMSL-MDNUFGMLSA-N 2 2 392.547 3.631 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](Nc4ccc(N5CCOCC5)c[nH+]4)[C@@H]3C2)cc1 ZINC000512626505 844805589 /nfs/dbraw/zinc/80/55/89/844805589.db2.gz UVDGDAJKXFYMSL-MDNUFGMLSA-N 2 2 392.547 3.631 20 0 GHADLP CC(C)CC1(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000535875581 844981489 /nfs/dbraw/zinc/98/14/89/844981489.db2.gz ITORLVDLIUILGG-LEWJYISDSA-N 2 2 392.632 3.791 20 0 GHADLP CC(C)CC1(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000535875581 844981495 /nfs/dbraw/zinc/98/14/95/844981495.db2.gz ITORLVDLIUILGG-LEWJYISDSA-N 2 2 392.632 3.791 20 0 GHADLP Cc1ccc(C)n1C1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509916171 845107427 /nfs/dbraw/zinc/10/74/27/845107427.db2.gz PUTKOBLAOXMRIX-UHFFFAOYSA-N 2 2 380.580 3.954 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(-n2cncn2)cc1Cl ZINC000152250152 845239654 /nfs/dbraw/zinc/23/96/54/845239654.db2.gz IPRQBUAXXHYWDJ-OAHLLOKOSA-N 2 2 378.867 3.957 20 0 GHADLP C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411378234 845369189 /nfs/dbraw/zinc/36/91/89/845369189.db2.gz BVHHSPIYJIWGGF-UHFFFAOYSA-N 2 2 377.492 3.750 20 0 GHADLP C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411378234 845369205 /nfs/dbraw/zinc/36/92/05/845369205.db2.gz BVHHSPIYJIWGGF-UHFFFAOYSA-N 2 2 377.492 3.750 20 0 GHADLP Cc1ncccc1OC[C@@H]1CCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000419395461 845540354 /nfs/dbraw/zinc/54/03/54/845540354.db2.gz UJLBZBWARSJXAE-XZOQPEGZSA-N 2 2 395.547 3.524 20 0 GHADLP Cc1ncccc1OC[C@@H]1CCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000419395461 845540367 /nfs/dbraw/zinc/54/03/67/845540367.db2.gz UJLBZBWARSJXAE-XZOQPEGZSA-N 2 2 395.547 3.524 20 0 GHADLP Cc1ncccc1OC[C@@H]1CCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419395461 845540375 /nfs/dbraw/zinc/54/03/75/845540375.db2.gz UJLBZBWARSJXAE-XZOQPEGZSA-N 2 2 395.547 3.524 20 0 GHADLP Cc1ncccc1OC[C@@H]1CCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419395461 845540387 /nfs/dbraw/zinc/54/03/87/845540387.db2.gz UJLBZBWARSJXAE-XZOQPEGZSA-N 2 2 395.547 3.524 20 0 GHADLP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959814 845578978 /nfs/dbraw/zinc/57/89/78/845578978.db2.gz UCAICXNAUSOKKQ-HNNXBMFYSA-N 2 2 378.467 3.537 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccccc2OC(F)F)[C@@H]1c1cnn(C)c1 ZINC000434018874 845733766 /nfs/dbraw/zinc/73/37/66/845733766.db2.gz SUUJDPHDYOEOAT-FXAWDEMLSA-N 2 2 392.494 3.927 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccccc2OC(F)F)[C@@H]1c1cnn(C)c1 ZINC000434018874 845733768 /nfs/dbraw/zinc/73/37/68/845733768.db2.gz SUUJDPHDYOEOAT-FXAWDEMLSA-N 2 2 392.494 3.927 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccccc2OC(F)F)[C@@H]1c1cnn(C)c1 ZINC000434018874 845733775 /nfs/dbraw/zinc/73/37/75/845733775.db2.gz SUUJDPHDYOEOAT-FXAWDEMLSA-N 2 2 392.494 3.927 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccccc2OC(F)F)[C@@H]1c1cnn(C)c1 ZINC000434018874 845733779 /nfs/dbraw/zinc/73/37/79/845733779.db2.gz SUUJDPHDYOEOAT-FXAWDEMLSA-N 2 2 392.494 3.927 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000156946649 845783440 /nfs/dbraw/zinc/78/34/40/845783440.db2.gz MOCFIMJTNAJIPC-WMZHIEFXSA-N 2 2 379.548 3.873 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000156946649 845783445 /nfs/dbraw/zinc/78/34/45/845783445.db2.gz MOCFIMJTNAJIPC-WMZHIEFXSA-N 2 2 379.548 3.873 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(C(=O)N(C)C)c2)CC[NH+]1Cc1ccccc1 ZINC000156946649 845783450 /nfs/dbraw/zinc/78/34/50/845783450.db2.gz MOCFIMJTNAJIPC-WMZHIEFXSA-N 2 2 379.548 3.873 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C(=O)N(C)C)c2)CC[NH+]1Cc1ccccc1 ZINC000156946649 845783456 /nfs/dbraw/zinc/78/34/56/845783456.db2.gz MOCFIMJTNAJIPC-WMZHIEFXSA-N 2 2 379.548 3.873 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1)C1CC1 ZINC000511035103 845804372 /nfs/dbraw/zinc/80/43/72/845804372.db2.gz XQRQOFBRGPYPDY-UHFFFAOYSA-N 2 2 378.520 3.596 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1)C1CC1 ZINC000511035103 845804380 /nfs/dbraw/zinc/80/43/80/845804380.db2.gz XQRQOFBRGPYPDY-UHFFFAOYSA-N 2 2 378.520 3.596 20 0 GHADLP CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000431316079 845835010 /nfs/dbraw/zinc/83/50/10/845835010.db2.gz BJQCEYZBFCPFQN-AFXVXQJMSA-N 2 2 398.595 3.521 20 0 GHADLP CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000431316079 845835015 /nfs/dbraw/zinc/83/50/15/845835015.db2.gz BJQCEYZBFCPFQN-AFXVXQJMSA-N 2 2 398.595 3.521 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc(F)c(F)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434023912 846164115 /nfs/dbraw/zinc/16/41/15/846164115.db2.gz WHSODLUOWLAFCT-MGPUTAFESA-N 2 2 380.458 3.742 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc(F)c(F)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434023912 846164119 /nfs/dbraw/zinc/16/41/19/846164119.db2.gz WHSODLUOWLAFCT-MGPUTAFESA-N 2 2 380.458 3.742 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc(F)c(F)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434023912 846164124 /nfs/dbraw/zinc/16/41/24/846164124.db2.gz WHSODLUOWLAFCT-MGPUTAFESA-N 2 2 380.458 3.742 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434023912 846164134 /nfs/dbraw/zinc/16/41/34/846164134.db2.gz WHSODLUOWLAFCT-MGPUTAFESA-N 2 2 380.458 3.742 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(C(F)(F)F)ccc3F)CC2)CC1 ZINC000421370904 846183019 /nfs/dbraw/zinc/18/30/19/846183019.db2.gz JCHZAIUJISOTQQ-UHFFFAOYSA-N 2 2 387.465 3.837 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(C(F)(F)F)ccc3F)CC2)CC1 ZINC000421370904 846183023 /nfs/dbraw/zinc/18/30/23/846183023.db2.gz JCHZAIUJISOTQQ-UHFFFAOYSA-N 2 2 387.465 3.837 20 0 GHADLP Cc1nc2cc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2o1 ZINC000279982932 846253066 /nfs/dbraw/zinc/25/30/66/846253066.db2.gz JWXGHWFPPKXQHO-NHCUHLMSSA-N 2 2 398.551 3.545 20 0 GHADLP Cc1nc2cc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2o1 ZINC000279982932 846253076 /nfs/dbraw/zinc/25/30/76/846253076.db2.gz JWXGHWFPPKXQHO-NHCUHLMSSA-N 2 2 398.551 3.545 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673768119 861682246 /nfs/dbraw/zinc/68/22/46/861682246.db2.gz BKWXFNYTJFXQPP-UHFFFAOYSA-N 2 2 393.535 3.526 20 0 GHADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000503061937 846757438 /nfs/dbraw/zinc/75/74/38/846757438.db2.gz HQHJUJBZLCGLGB-CNNODRBYSA-N 2 2 382.552 3.842 20 0 GHADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000503061937 846757444 /nfs/dbraw/zinc/75/74/44/846757444.db2.gz HQHJUJBZLCGLGB-CNNODRBYSA-N 2 2 382.552 3.842 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)NCC2(c3ccc(F)cc3)CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000503053408 846769377 /nfs/dbraw/zinc/76/93/77/846769377.db2.gz PKRGHVBZYUJQHW-RXVVDRJESA-N 2 2 398.526 3.533 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)NCC2(c3ccc(F)cc3)CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000503053408 846769386 /nfs/dbraw/zinc/76/93/86/846769386.db2.gz PKRGHVBZYUJQHW-RXVVDRJESA-N 2 2 398.526 3.533 20 0 GHADLP Cc1ccc(S(=O)(=O)c2ccc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cc2)cc1 ZINC000420341730 847119734 /nfs/dbraw/zinc/11/97/34/847119734.db2.gz VPWYRWDSMQPNOQ-HSZRJFAPSA-N 2 2 398.572 3.792 20 0 GHADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CCCCC1 ZINC000420365121 847140790 /nfs/dbraw/zinc/14/07/90/847140790.db2.gz RUXVCHMFKQOZNO-HNNXBMFYSA-N 2 2 377.838 3.795 20 0 GHADLP [NH3+]C[C@H]([NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C1CCCCC1 ZINC000420366756 847142170 /nfs/dbraw/zinc/14/21/70/847142170.db2.gz MFEKBMZXOSHGOV-REWPJTCUSA-N 2 2 397.588 3.719 20 0 GHADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000420379347 847148385 /nfs/dbraw/zinc/14/83/85/847148385.db2.gz VIFRDTOOPJIMEP-YLJYHZDGSA-N 2 2 394.437 3.830 20 0 GHADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000420379347 847148394 /nfs/dbraw/zinc/14/83/94/847148394.db2.gz VIFRDTOOPJIMEP-YLJYHZDGSA-N 2 2 394.437 3.830 20 0 GHADLP Brc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)OCCCO2 ZINC000420378064 847148848 /nfs/dbraw/zinc/14/88/48/847148848.db2.gz BBPZGXHNJBRUSF-RHSMWYFYSA-N 2 2 395.341 3.574 20 0 GHADLP Brc1cc2c(cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)OCCCO2 ZINC000420378064 847148853 /nfs/dbraw/zinc/14/88/53/847148853.db2.gz BBPZGXHNJBRUSF-RHSMWYFYSA-N 2 2 395.341 3.574 20 0 GHADLP COc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1Br ZINC000272732526 847158472 /nfs/dbraw/zinc/15/84/72/847158472.db2.gz ABJJMKCCSDUGPK-UHFFFAOYSA-N 2 2 395.263 3.964 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000272905249 847204241 /nfs/dbraw/zinc/20/42/41/847204241.db2.gz VXKUULJTUDQMPR-HXUWFJFHSA-N 2 2 384.524 3.811 20 0 GHADLP CCc1nc([C@@H](C)[NH2+]CCOCC[NH2+][C@@H](C)c2csc(CC)n2)cs1 ZINC000273427090 847335957 /nfs/dbraw/zinc/33/59/57/847335957.db2.gz WLSUFEWIMVDDCO-OKILXGFUSA-N 2 2 382.599 3.742 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)c1cccc(OC)c1 ZINC000420768365 847435922 /nfs/dbraw/zinc/43/59/22/847435922.db2.gz WBUDKXAXSYQSJC-NRFANRHFSA-N 2 2 384.524 3.589 20 0 GHADLP Cc1cc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000420848405 847485807 /nfs/dbraw/zinc/48/58/07/847485807.db2.gz MAPABWPUACRNPH-PKTZIBPZSA-N 2 2 392.547 3.895 20 0 GHADLP Cc1cc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000420848405 847485811 /nfs/dbraw/zinc/48/58/11/847485811.db2.gz MAPABWPUACRNPH-PKTZIBPZSA-N 2 2 392.547 3.895 20 0 GHADLP c1ccc([C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)[C@@H]3CCOC[C@H]23)cc1 ZINC000420959593 847580411 /nfs/dbraw/zinc/58/04/11/847580411.db2.gz GRYIAKGQJNMYRM-ISJGIBHGSA-N 2 2 392.543 3.523 20 0 GHADLP c1ccc([C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)[C@@H]3CCOC[C@H]23)cc1 ZINC000420959593 847580422 /nfs/dbraw/zinc/58/04/22/847580422.db2.gz GRYIAKGQJNMYRM-ISJGIBHGSA-N 2 2 392.543 3.523 20 0 GHADLP Cc1cccn2cc(COc3ccc(C[NH+]4CCC5(CC[NH2+]5)CC4)cc3)nc12 ZINC000422559944 847691867 /nfs/dbraw/zinc/69/18/67/847691867.db2.gz FHKMBQDBUMDWJC-UHFFFAOYSA-N 2 2 376.504 3.550 20 0 GHADLP O=C1[C@@H]([N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCN1c1cccc(Cl)c1 ZINC000503436044 847693308 /nfs/dbraw/zinc/69/33/08/847693308.db2.gz BURJNCDDLCIADX-JXFKEZNVSA-N 2 2 398.938 3.858 20 0 GHADLP O=C1[C@@H]([N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCN1c1cccc(Cl)c1 ZINC000503436044 847693311 /nfs/dbraw/zinc/69/33/11/847693311.db2.gz BURJNCDDLCIADX-JXFKEZNVSA-N 2 2 398.938 3.858 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435873 847694241 /nfs/dbraw/zinc/69/42/41/847694241.db2.gz INJMFPWXNGKMRF-QUCCMNQESA-N 2 2 380.536 3.618 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435873 847694246 /nfs/dbraw/zinc/69/42/46/847694246.db2.gz INJMFPWXNGKMRF-QUCCMNQESA-N 2 2 380.536 3.618 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414498672 847712845 /nfs/dbraw/zinc/71/28/45/847712845.db2.gz INHMBUAARUHQOY-YLJYHZDGSA-N 2 2 378.944 3.983 20 0 GHADLP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502321333 847734019 /nfs/dbraw/zinc/73/40/19/847734019.db2.gz XMRCZTHEJSKIOV-HKUYNNGSSA-N 2 2 397.519 3.539 20 0 GHADLP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502321333 847734028 /nfs/dbraw/zinc/73/40/28/847734028.db2.gz XMRCZTHEJSKIOV-HKUYNNGSSA-N 2 2 397.519 3.539 20 0 GHADLP COc1ccc([C@@H]([NH2+]CCCc2ccc(OC)c(OC)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422720236 847795838 /nfs/dbraw/zinc/79/58/38/847795838.db2.gz MKCGDWTYZKLDTM-NFBKMPQASA-N 2 2 384.520 3.728 20 0 GHADLP COc1ccc([C@H](NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422826810 847842946 /nfs/dbraw/zinc/84/29/46/847842946.db2.gz CQPYIMMMZLIUFI-PKTZIBPZSA-N 2 2 376.504 3.523 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@H]2CCN(c3cccc(OC)c3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422898342 847877063 /nfs/dbraw/zinc/87/70/63/847877063.db2.gz DTXCGIRYRYPAJN-DKLXNKCPSA-N 2 2 395.547 3.613 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC[N@@H+]1C ZINC000179904103 861840681 /nfs/dbraw/zinc/84/06/81/861840681.db2.gz RUSDMCNNDCTOCB-RDTXWAMCSA-N 2 2 377.330 3.549 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC[N@H+]1C ZINC000179904103 861840697 /nfs/dbraw/zinc/84/06/97/861840697.db2.gz RUSDMCNNDCTOCB-RDTXWAMCSA-N 2 2 377.330 3.549 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC[NH+]1C ZINC000179904103 861840712 /nfs/dbraw/zinc/84/07/12/861840712.db2.gz RUSDMCNNDCTOCB-RDTXWAMCSA-N 2 2 377.330 3.549 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC[NH+]1C ZINC000179904103 861840723 /nfs/dbraw/zinc/84/07/23/861840723.db2.gz RUSDMCNNDCTOCB-RDTXWAMCSA-N 2 2 377.330 3.549 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000422943094 847901265 /nfs/dbraw/zinc/90/12/65/847901265.db2.gz KBORNKDNXNOGIF-YSGRDPCXSA-N 2 2 389.337 3.895 20 0 GHADLP Brc1cc2c(c(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)c1)OCC2 ZINC000423052175 847966175 /nfs/dbraw/zinc/96/61/75/847966175.db2.gz PYFDZQPHCQGSBD-RBUKOAKNSA-N 2 2 387.321 3.967 20 0 GHADLP Brc1cc2c(c(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)c1)OCC2 ZINC000423052173 847966387 /nfs/dbraw/zinc/96/63/87/847966387.db2.gz PYFDZQPHCQGSBD-MOPGFXCFSA-N 2 2 387.321 3.967 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000116949158 848067069 /nfs/dbraw/zinc/06/70/69/848067069.db2.gz QKSSBUMEINJHCS-UHFFFAOYSA-N 2 2 392.503 3.904 20 0 GHADLP CCC[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668639743 848165119 /nfs/dbraw/zinc/16/51/19/848165119.db2.gz LJCFCXRRLDDJGM-AZUAARDMSA-N 2 2 377.960 3.508 20 0 GHADLP CCC[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668639743 848165123 /nfs/dbraw/zinc/16/51/23/848165123.db2.gz LJCFCXRRLDDJGM-AZUAARDMSA-N 2 2 377.960 3.508 20 0 GHADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cc(Cl)ccc1Cl ZINC000604185509 861909130 /nfs/dbraw/zinc/90/91/30/861909130.db2.gz XANFXAUVDHMUMF-ZFWWWQNUSA-N 2 2 399.366 3.522 20 0 GHADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cc(Cl)ccc1Cl ZINC000604185509 861909140 /nfs/dbraw/zinc/90/91/40/861909140.db2.gz XANFXAUVDHMUMF-ZFWWWQNUSA-N 2 2 399.366 3.522 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000192346595 861923944 /nfs/dbraw/zinc/92/39/44/861923944.db2.gz ODKNCDKALKYJEP-RTBURBONSA-N 2 2 391.604 3.624 20 0 GHADLP COc1ccc([C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C(C)C)cc1 ZINC000180053627 861925704 /nfs/dbraw/zinc/92/57/04/861925704.db2.gz ATBPDTHTNUDHST-DEOSSOPVSA-N 2 2 398.547 3.893 20 0 GHADLP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192358013 861926979 /nfs/dbraw/zinc/92/69/79/861926979.db2.gz DCLGXBUFQNBHMY-HSZRJFAPSA-N 2 2 390.531 3.766 20 0 GHADLP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192358013 861927009 /nfs/dbraw/zinc/92/70/09/861927009.db2.gz DCLGXBUFQNBHMY-HSZRJFAPSA-N 2 2 390.531 3.766 20 0 GHADLP COc1ccc([C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C(C)C)cc1 ZINC000180065155 861931622 /nfs/dbraw/zinc/93/16/22/861931622.db2.gz NVXRODASHMYAPU-XMMPIXPASA-N 2 2 398.547 3.893 20 0 GHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccncc3OCCC[NH+](C)C)CC2)C1 ZINC000582927921 848712921 /nfs/dbraw/zinc/71/29/21/848712921.db2.gz CKKWEWRBXWZNPI-DENIHFKCSA-N 3 2 388.600 3.545 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000123129449 849064953 /nfs/dbraw/zinc/06/49/53/849064953.db2.gz HKZOTDFREDPASC-AHRSYUTCSA-N 2 2 388.556 3.642 20 0 GHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000154412042 849291878 /nfs/dbraw/zinc/29/18/78/849291878.db2.gz BQZWZGZNEZJHEY-OAHLLOKOSA-N 2 2 389.341 3.680 20 0 GHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000154412042 849291884 /nfs/dbraw/zinc/29/18/84/849291884.db2.gz BQZWZGZNEZJHEY-OAHLLOKOSA-N 2 2 389.341 3.680 20 0 GHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000154412042 849291890 /nfs/dbraw/zinc/29/18/90/849291890.db2.gz BQZWZGZNEZJHEY-OAHLLOKOSA-N 2 2 389.341 3.680 20 0 GHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000154412042 849291897 /nfs/dbraw/zinc/29/18/97/849291897.db2.gz BQZWZGZNEZJHEY-OAHLLOKOSA-N 2 2 389.341 3.680 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000154877762 849392753 /nfs/dbraw/zinc/39/27/53/849392753.db2.gz DCKAZUIFFYYQOM-YKSBVNFPSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000154877762 849392762 /nfs/dbraw/zinc/39/27/62/849392762.db2.gz DCKAZUIFFYYQOM-YKSBVNFPSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000154877762 849392770 /nfs/dbraw/zinc/39/27/70/849392770.db2.gz DCKAZUIFFYYQOM-YKSBVNFPSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000154877762 849392780 /nfs/dbraw/zinc/39/27/80/849392780.db2.gz DCKAZUIFFYYQOM-YKSBVNFPSA-N 3 2 380.580 3.922 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@H](c3ncc[nH]3)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000125700707 849566185 /nfs/dbraw/zinc/56/61/85/849566185.db2.gz BVJCWMNWOXXOEX-PWHSHALESA-N 2 2 390.531 3.898 20 0 GHADLP CC[S@@](=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000162897665 849647504 /nfs/dbraw/zinc/64/75/04/849647504.db2.gz LLVBVVAWYSGGCN-WOVHNISZSA-N 2 2 380.573 3.502 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423124602 849749130 /nfs/dbraw/zinc/74/91/30/849749130.db2.gz OUKAALFKQWPWSR-IAISJRAMSA-N 2 2 392.341 3.664 20 0 GHADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(Br)cc1F ZINC000423233827 849806146 /nfs/dbraw/zinc/80/61/46/849806146.db2.gz OXGCHQVGXUTSLX-LBPRGKRZSA-N 2 2 379.277 3.566 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc2c1OCO2 ZINC000583408207 849816834 /nfs/dbraw/zinc/81/68/34/849816834.db2.gz LVISPLGIQZGFGZ-HSZRJFAPSA-N 2 2 380.488 3.522 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc2c1OCO2 ZINC000583408207 849816854 /nfs/dbraw/zinc/81/68/54/849816854.db2.gz LVISPLGIQZGFGZ-HSZRJFAPSA-N 2 2 380.488 3.522 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc2c1OCO2 ZINC000583408207 849816861 /nfs/dbraw/zinc/81/68/61/849816861.db2.gz LVISPLGIQZGFGZ-HSZRJFAPSA-N 2 2 380.488 3.522 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc2c1OCO2 ZINC000583408207 849816867 /nfs/dbraw/zinc/81/68/67/849816867.db2.gz LVISPLGIQZGFGZ-HSZRJFAPSA-N 2 2 380.488 3.522 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000423241242 849824702 /nfs/dbraw/zinc/82/47/02/849824702.db2.gz LEORJRRPVTZWPR-HRAATJIYSA-N 2 2 389.565 3.922 20 0 GHADLP CC(C)[C@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[NH+]1CCCCCC1 ZINC000504052318 849866815 /nfs/dbraw/zinc/86/68/15/849866815.db2.gz KARZYJKMWVFBEE-QFIPXVFZSA-N 2 2 397.567 3.631 20 0 GHADLP C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425250578 849921285 /nfs/dbraw/zinc/92/12/85/849921285.db2.gz WHWVUBJKEBUDHU-DSKINZAPSA-N 2 2 380.536 3.701 20 0 GHADLP C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000425250578 849921295 /nfs/dbraw/zinc/92/12/95/849921295.db2.gz WHWVUBJKEBUDHU-DSKINZAPSA-N 2 2 380.536 3.701 20 0 GHADLP CC[N@H+](CC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1)Cc1ccccc1Cl ZINC000504343125 850023003 /nfs/dbraw/zinc/02/30/03/850023003.db2.gz LSRVDORJEKWMSG-MSOLQXFVSA-N 2 2 391.987 3.931 20 0 GHADLP CC[N@@H+](CC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1)Cc1ccccc1Cl ZINC000504343125 850023010 /nfs/dbraw/zinc/02/30/10/850023010.db2.gz LSRVDORJEKWMSG-MSOLQXFVSA-N 2 2 391.987 3.931 20 0 GHADLP CC[NH+](CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)Cc1ccccc1Cl ZINC000504343125 850023013 /nfs/dbraw/zinc/02/30/13/850023013.db2.gz LSRVDORJEKWMSG-MSOLQXFVSA-N 2 2 391.987 3.931 20 0 GHADLP CC[NH+](CC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)Cc1ccccc1Cl ZINC000504343125 850023021 /nfs/dbraw/zinc/02/30/21/850023021.db2.gz LSRVDORJEKWMSG-MSOLQXFVSA-N 2 2 391.987 3.931 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2c(=O)[nH]1 ZINC000647933768 850029023 /nfs/dbraw/zinc/02/90/23/850029023.db2.gz IYDWCMBBPXVSLL-WIYYLYMNSA-N 2 2 376.504 3.508 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nc2ccccc2c(=O)[nH]1 ZINC000647933768 850029030 /nfs/dbraw/zinc/02/90/30/850029030.db2.gz IYDWCMBBPXVSLL-WIYYLYMNSA-N 2 2 376.504 3.508 20 0 GHADLP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000514598757 850041992 /nfs/dbraw/zinc/04/19/92/850041992.db2.gz KLXJDXBCGXWHLY-NRFANRHFSA-N 2 2 379.504 3.584 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000423837903 850070612 /nfs/dbraw/zinc/07/06/12/850070612.db2.gz XJEWCRNKLPCMMN-ZCNNSNEGSA-N 2 2 387.474 3.552 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000423837903 850070620 /nfs/dbraw/zinc/07/06/20/850070620.db2.gz XJEWCRNKLPCMMN-ZCNNSNEGSA-N 2 2 387.474 3.552 20 0 GHADLP [NH3+][C@@H](CCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)CC1CCCCC1 ZINC000424333848 850369734 /nfs/dbraw/zinc/36/97/34/850369734.db2.gz FCJZTUYTOTXUNK-NRFANRHFSA-N 2 2 398.551 3.799 20 0 GHADLP CCOc1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000435423894 850505787 /nfs/dbraw/zinc/50/57/87/850505787.db2.gz WWRONODRNHZNGO-LJQANCHMSA-N 2 2 387.549 3.695 20 0 GHADLP CCOc1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000435423894 850505791 /nfs/dbraw/zinc/50/57/91/850505791.db2.gz WWRONODRNHZNGO-LJQANCHMSA-N 2 2 387.549 3.695 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000514947211 850522771 /nfs/dbraw/zinc/52/27/71/850522771.db2.gz QXGYXFXSSZCREJ-GHTZIAJQSA-N 2 2 388.515 3.827 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000514947211 850522779 /nfs/dbraw/zinc/52/27/79/850522779.db2.gz QXGYXFXSSZCREJ-GHTZIAJQSA-N 2 2 388.515 3.827 20 0 GHADLP CCOc1ccc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1OCC ZINC000435439894 850527441 /nfs/dbraw/zinc/52/74/41/850527441.db2.gz XVESTNQXNJJESP-GOSISDBHSA-N 2 2 389.565 3.861 20 0 GHADLP CCOc1ccc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1OCC ZINC000435439894 850527445 /nfs/dbraw/zinc/52/74/45/850527445.db2.gz XVESTNQXNJJESP-GOSISDBHSA-N 2 2 389.565 3.861 20 0 GHADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(-c3nc4ccccc4s3)o1)CCO2 ZINC000648071665 862150131 /nfs/dbraw/zinc/15/01/31/862150131.db2.gz NROBDWOTMWLNAG-UHFFFAOYSA-N 2 2 383.517 3.853 20 0 GHADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(-c3nc4ccccc4s3)o1)CCO2 ZINC000648071665 862150137 /nfs/dbraw/zinc/15/01/37/862150137.db2.gz NROBDWOTMWLNAG-UHFFFAOYSA-N 2 2 383.517 3.853 20 0 GHADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C[NH3+])C1CC1 ZINC000414814529 850687753 /nfs/dbraw/zinc/68/77/53/850687753.db2.gz ZGHOPUMONVZCAH-QGZVFWFLSA-N 2 2 377.330 3.585 20 0 GHADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000519178860 850706576 /nfs/dbraw/zinc/70/65/76/850706576.db2.gz PSZPZYUMNMGBGF-IFXJQAMLSA-N 2 2 390.478 3.598 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000515555051 851167377 /nfs/dbraw/zinc/16/73/77/851167377.db2.gz MMAJPNGPUDZKSH-XXBNENTESA-N 2 2 395.522 3.868 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000515555051 851167395 /nfs/dbraw/zinc/16/73/95/851167395.db2.gz MMAJPNGPUDZKSH-XXBNENTESA-N 2 2 395.522 3.868 20 0 GHADLP CC(C)(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCC[NH+]3Cc3ccccc3)sc2C1 ZINC000425085715 851182425 /nfs/dbraw/zinc/18/24/25/851182425.db2.gz SQOWOOFKSLCNLP-SFHVURJKSA-N 2 2 398.576 3.903 20 0 GHADLP CC(C)(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3CCC[NH+]3Cc3ccccc3)sc2C1 ZINC000425085715 851182429 /nfs/dbraw/zinc/18/24/29/851182429.db2.gz SQOWOOFKSLCNLP-SFHVURJKSA-N 2 2 398.576 3.903 20 0 GHADLP CC(C)(C)[NH+]1CCc2nc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)sc2C1 ZINC000425085715 851182440 /nfs/dbraw/zinc/18/24/40/851182440.db2.gz SQOWOOFKSLCNLP-SFHVURJKSA-N 2 2 398.576 3.903 20 0 GHADLP CC(C)(C)[NH+]1CCc2nc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)sc2C1 ZINC000425085715 851182448 /nfs/dbraw/zinc/18/24/48/851182448.db2.gz SQOWOOFKSLCNLP-SFHVURJKSA-N 2 2 398.576 3.903 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000488139003 851196045 /nfs/dbraw/zinc/19/60/45/851196045.db2.gz NTVZFBCOXMEZFF-FQEVSTJZSA-N 2 2 376.504 3.849 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000488139003 851196051 /nfs/dbraw/zinc/19/60/51/851196051.db2.gz NTVZFBCOXMEZFF-FQEVSTJZSA-N 2 2 376.504 3.849 20 0 GHADLP CC[N@H+](C)Cc1cccc(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000425148509 851495657 /nfs/dbraw/zinc/49/56/57/851495657.db2.gz UARYDNKQMAGAIH-NRFANRHFSA-N 2 2 376.504 3.700 20 0 GHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000425148509 851495661 /nfs/dbraw/zinc/49/56/61/851495661.db2.gz UARYDNKQMAGAIH-NRFANRHFSA-N 2 2 376.504 3.700 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000053016691 851527121 /nfs/dbraw/zinc/52/71/21/851527121.db2.gz JCOQSQGMZSUQAX-UHFFFAOYSA-N 2 2 376.504 3.702 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000053016691 851527130 /nfs/dbraw/zinc/52/71/30/851527130.db2.gz JCOQSQGMZSUQAX-UHFFFAOYSA-N 2 2 376.504 3.702 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCc2cccc(F)c2F)[C@@H]1c1cnn(C)c1 ZINC000434733551 851554121 /nfs/dbraw/zinc/55/41/21/851554121.db2.gz BLGCSUSXDGKUGK-LAUBAEHRSA-N 2 2 376.495 3.646 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCc2cccc(F)c2F)[C@@H]1c1cnn(C)c1 ZINC000434733551 851554129 /nfs/dbraw/zinc/55/41/29/851554129.db2.gz BLGCSUSXDGKUGK-LAUBAEHRSA-N 2 2 376.495 3.646 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCc2cccc(F)c2F)[C@@H]1c1cnn(C)c1 ZINC000434733551 851554137 /nfs/dbraw/zinc/55/41/37/851554137.db2.gz BLGCSUSXDGKUGK-LAUBAEHRSA-N 2 2 376.495 3.646 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCc2cccc(F)c2F)[C@@H]1c1cnn(C)c1 ZINC000434733551 851554139 /nfs/dbraw/zinc/55/41/39/851554139.db2.gz BLGCSUSXDGKUGK-LAUBAEHRSA-N 2 2 376.495 3.646 20 0 GHADLP CC1(C)C[N@H+](Cc2nnc3n2CCCC3)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664839455 851921816 /nfs/dbraw/zinc/92/18/16/851921816.db2.gz ZCIDDOYKHAYBBX-QHCPKHFHSA-N 2 2 393.579 3.737 20 0 GHADLP CC1(C)C[N@@H+](Cc2nnc3n2CCCC3)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664839455 851921826 /nfs/dbraw/zinc/92/18/26/851921826.db2.gz ZCIDDOYKHAYBBX-QHCPKHFHSA-N 2 2 393.579 3.737 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604575821 862315649 /nfs/dbraw/zinc/31/56/49/862315649.db2.gz QKYBTMFATZEQCX-UHFFFAOYSA-N 2 2 391.519 3.714 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000505851685 852116394 /nfs/dbraw/zinc/11/63/94/852116394.db2.gz OJKUHTIJFJSZES-HSZRJFAPSA-N 2 2 388.515 3.572 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000505851685 852116402 /nfs/dbraw/zinc/11/64/02/852116402.db2.gz OJKUHTIJFJSZES-HSZRJFAPSA-N 2 2 388.515 3.572 20 0 GHADLP COc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1OCc1ccc(Cl)cc1 ZINC000425973318 852196101 /nfs/dbraw/zinc/19/61/01/852196101.db2.gz HURIORDMSXCOQC-KDURUIRLSA-N 2 2 386.923 3.921 20 0 GHADLP COc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1OCc1ccc(Cl)cc1 ZINC000425973318 852196110 /nfs/dbraw/zinc/19/61/10/852196110.db2.gz HURIORDMSXCOQC-KDURUIRLSA-N 2 2 386.923 3.921 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)ccc1OCc1ccc(Cl)cc1 ZINC000425973318 852196117 /nfs/dbraw/zinc/19/61/17/852196117.db2.gz HURIORDMSXCOQC-KDURUIRLSA-N 2 2 386.923 3.921 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)ccc1OCc1ccc(Cl)cc1 ZINC000425973318 852196125 /nfs/dbraw/zinc/19/61/25/852196125.db2.gz HURIORDMSXCOQC-KDURUIRLSA-N 2 2 386.923 3.921 20 0 GHADLP COC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000506950103 852376269 /nfs/dbraw/zinc/37/62/69/852376269.db2.gz ZPNDROBZRCAKQT-UHFFFAOYSA-N 2 2 375.472 3.579 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000894358947 852602180 /nfs/dbraw/zinc/60/21/80/852602180.db2.gz KMPJEIPXQCSDBF-INIZCTEOSA-N 2 2 392.503 3.665 20 0 GHADLP CCC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000516561608 852726215 /nfs/dbraw/zinc/72/62/15/852726215.db2.gz FWTAFHXDKGEUOE-TZIWHRDSSA-N 2 2 378.605 3.547 20 0 GHADLP CCC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000516561608 852726226 /nfs/dbraw/zinc/72/62/26/852726226.db2.gz FWTAFHXDKGEUOE-TZIWHRDSSA-N 2 2 378.605 3.547 20 0 GHADLP Brc1ccc(-c2ncc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)s2)cc1 ZINC000427146987 852774181 /nfs/dbraw/zinc/77/41/81/852774181.db2.gz ZEUCXSRUELACDA-CJNGLKHVSA-N 2 2 378.339 3.756 20 0 GHADLP Brc1ccc(-c2ncc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)s2)cc1 ZINC000427146987 852774186 /nfs/dbraw/zinc/77/41/86/852774186.db2.gz ZEUCXSRUELACDA-CJNGLKHVSA-N 2 2 378.339 3.756 20 0 GHADLP C[NH+](C)C1(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CCCCC1 ZINC000426237580 853103684 /nfs/dbraw/zinc/10/36/84/853103684.db2.gz LGUJRYJVIXEHPQ-RTWAWAEBSA-N 2 2 395.551 3.675 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000519725488 853410182 /nfs/dbraw/zinc/41/01/82/853410182.db2.gz MZNCXODFLATANH-LIRRHRJNSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000519725488 853410186 /nfs/dbraw/zinc/41/01/86/853410186.db2.gz MZNCXODFLATANH-LIRRHRJNSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000519725488 853410191 /nfs/dbraw/zinc/41/01/91/853410191.db2.gz MZNCXODFLATANH-LIRRHRJNSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000519725488 853410198 /nfs/dbraw/zinc/41/01/98/853410198.db2.gz MZNCXODFLATANH-LIRRHRJNSA-N 2 2 391.357 3.715 20 0 GHADLP c1ccc2c(c1)snc2N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167988488 853578339 /nfs/dbraw/zinc/57/83/39/853578339.db2.gz QGRVFEXCCXAYJT-DFNIBXOVSA-N 2 2 382.577 3.824 20 0 GHADLP c1ccc2c(c1)snc2N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167988488 853578345 /nfs/dbraw/zinc/57/83/45/853578345.db2.gz QGRVFEXCCXAYJT-DFNIBXOVSA-N 2 2 382.577 3.824 20 0 GHADLP CCC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(F)cc1 ZINC000519908902 853600689 /nfs/dbraw/zinc/60/06/89/853600689.db2.gz WWUFAQNZKDYXEI-UHFFFAOYSA-N 2 2 399.510 3.509 20 0 GHADLP CCC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(F)cc1 ZINC000519908902 853600696 /nfs/dbraw/zinc/60/06/96/853600696.db2.gz WWUFAQNZKDYXEI-UHFFFAOYSA-N 2 2 399.510 3.509 20 0 GHADLP CC(C)c1nnc([C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCO2)o1 ZINC000517316908 853649355 /nfs/dbraw/zinc/64/93/55/853649355.db2.gz NNMRSDSMQYFQSC-FQEVSTJZSA-N 2 2 384.524 3.752 20 0 GHADLP CC(C)c1nnc([C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCO2)o1 ZINC000517316908 853649364 /nfs/dbraw/zinc/64/93/64/853649364.db2.gz NNMRSDSMQYFQSC-FQEVSTJZSA-N 2 2 384.524 3.752 20 0 GHADLP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000414998535 853649979 /nfs/dbraw/zinc/64/99/79/853649979.db2.gz ICTZAUNZQPDNJA-KXHCOYLBSA-N 2 2 381.539 3.944 20 0 GHADLP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425930366 853651666 /nfs/dbraw/zinc/65/16/66/853651666.db2.gz WSFCWDUSBDLFHH-FQEVSTJZSA-N 2 2 378.438 3.774 20 0 GHADLP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425930366 853651669 /nfs/dbraw/zinc/65/16/69/853651669.db2.gz WSFCWDUSBDLFHH-FQEVSTJZSA-N 2 2 378.438 3.774 20 0 GHADLP C[NH+](Cc1ccc(C(F)(F)F)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425930366 853651674 /nfs/dbraw/zinc/65/16/74/853651674.db2.gz WSFCWDUSBDLFHH-FQEVSTJZSA-N 2 2 378.438 3.774 20 0 GHADLP C[NH+](Cc1ccc(C(F)(F)F)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425930366 853651678 /nfs/dbraw/zinc/65/16/78/853651678.db2.gz WSFCWDUSBDLFHH-FQEVSTJZSA-N 2 2 378.438 3.774 20 0 GHADLP COc1ccc(C[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167964582 853678191 /nfs/dbraw/zinc/67/81/91/853678191.db2.gz TZDGZBWECPPOFX-NOTZXAQLSA-N 3 2 383.580 3.655 20 0 GHADLP COc1ccc(C[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167964582 853678199 /nfs/dbraw/zinc/67/81/99/853678199.db2.gz TZDGZBWECPPOFX-NOTZXAQLSA-N 3 2 383.580 3.655 20 0 GHADLP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000623902423 862504527 /nfs/dbraw/zinc/50/45/27/862504527.db2.gz HQVAXCKNSFISEF-XHDPSFHLSA-N 2 2 381.895 3.712 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(F)c2ccccc21 ZINC000571467722 853886390 /nfs/dbraw/zinc/88/63/90/853886390.db2.gz ZVHALAKOSOTAJW-CSNJMZFVSA-N 2 2 383.511 3.713 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(F)c2ccccc21 ZINC000571467722 853886393 /nfs/dbraw/zinc/88/63/93/853886393.db2.gz ZVHALAKOSOTAJW-CSNJMZFVSA-N 2 2 383.511 3.713 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000164609581 854093175 /nfs/dbraw/zinc/09/31/75/854093175.db2.gz SSQRURSZFHGMTL-APWZRJJASA-N 2 2 389.341 3.686 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000164609581 854093180 /nfs/dbraw/zinc/09/31/80/854093180.db2.gz SSQRURSZFHGMTL-APWZRJJASA-N 2 2 389.341 3.686 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000164609581 854093184 /nfs/dbraw/zinc/09/31/84/854093184.db2.gz SSQRURSZFHGMTL-APWZRJJASA-N 2 2 389.341 3.686 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000164609581 854093187 /nfs/dbraw/zinc/09/31/87/854093187.db2.gz SSQRURSZFHGMTL-APWZRJJASA-N 2 2 389.341 3.686 20 0 GHADLP C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000520380650 854150219 /nfs/dbraw/zinc/15/02/19/854150219.db2.gz FMWCDGAYGXTCSZ-IERDGZPVSA-N 2 2 385.939 3.506 20 0 GHADLP C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000520380650 854150224 /nfs/dbraw/zinc/15/02/24/854150224.db2.gz FMWCDGAYGXTCSZ-IERDGZPVSA-N 2 2 385.939 3.506 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c(C)c1 ZINC000441370993 854155087 /nfs/dbraw/zinc/15/50/87/854155087.db2.gz JNUBZUQZLFZTMT-TZEULACYSA-N 2 2 382.552 3.914 20 0 GHADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000441394395 854176905 /nfs/dbraw/zinc/17/69/05/854176905.db2.gz OYTBFQAYMISQQU-QQKQFIJSSA-N 2 2 395.591 3.983 20 0 GHADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000441394395 854176911 /nfs/dbraw/zinc/17/69/11/854176911.db2.gz OYTBFQAYMISQQU-QQKQFIJSSA-N 2 2 395.591 3.983 20 0 GHADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000441394395 854176918 /nfs/dbraw/zinc/17/69/18/854176918.db2.gz OYTBFQAYMISQQU-QQKQFIJSSA-N 2 2 395.591 3.983 20 0 GHADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000441394395 854176924 /nfs/dbraw/zinc/17/69/24/854176924.db2.gz OYTBFQAYMISQQU-QQKQFIJSSA-N 2 2 395.591 3.983 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NCC2CCCCC2)c(C)c1 ZINC000441377737 854198409 /nfs/dbraw/zinc/19/84/09/854198409.db2.gz AVVMHFPUXZTSFI-SIKLNZKXSA-N 2 2 382.552 3.916 20 0 GHADLP Cc1ccccc1[C@@H](CC(C)C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000112470223 854232453 /nfs/dbraw/zinc/23/24/53/854232453.db2.gz GFVSQLHYYVRZHU-JOCHJYFZSA-N 2 2 388.600 3.750 20 0 GHADLP Cc1ccccc1[C@@H](CC(C)C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000112470223 854232460 /nfs/dbraw/zinc/23/24/60/854232460.db2.gz GFVSQLHYYVRZHU-JOCHJYFZSA-N 2 2 388.600 3.750 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000588642671 854324286 /nfs/dbraw/zinc/32/42/86/854324286.db2.gz NBWOINKNCADOIG-UHFFFAOYSA-N 2 2 378.520 3.556 20 0 GHADLP CCN(C(=O)NCCCNc1cccc[nH+]1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473941080 854353827 /nfs/dbraw/zinc/35/38/27/854353827.db2.gz BJHRRGGHTPGCDP-FPOVZHCZSA-N 2 2 395.551 3.751 20 0 GHADLP CCN(C(=O)NCCCNc1cccc[nH+]1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473941080 854353834 /nfs/dbraw/zinc/35/38/34/854353834.db2.gz BJHRRGGHTPGCDP-FPOVZHCZSA-N 2 2 395.551 3.751 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572129975 854407591 /nfs/dbraw/zinc/40/75/91/854407591.db2.gz FPLPUHGZXYUWKO-PMACEKPBSA-N 2 2 389.902 3.546 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572129975 854407595 /nfs/dbraw/zinc/40/75/95/854407595.db2.gz FPLPUHGZXYUWKO-PMACEKPBSA-N 2 2 389.902 3.546 20 0 GHADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000072858225 854730944 /nfs/dbraw/zinc/73/09/44/854730944.db2.gz HLUSLOJWGAFXPR-SIKLNZKXSA-N 2 2 385.596 3.921 20 0 GHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000072858225 854730951 /nfs/dbraw/zinc/73/09/51/854730951.db2.gz HLUSLOJWGAFXPR-SIKLNZKXSA-N 2 2 385.596 3.921 20 0 GHADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000072858225 854730957 /nfs/dbraw/zinc/73/09/57/854730957.db2.gz HLUSLOJWGAFXPR-SIKLNZKXSA-N 2 2 385.596 3.921 20 0 GHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000072858225 854730960 /nfs/dbraw/zinc/73/09/60/854730960.db2.gz HLUSLOJWGAFXPR-SIKLNZKXSA-N 2 2 385.596 3.921 20 0 GHADLP C[C@@H]1CN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)C[C@H](C)[NH2+]1 ZINC000624406460 854776621 /nfs/dbraw/zinc/77/66/21/854776621.db2.gz CTMFRYJDSWJUSW-GASCZTMLSA-N 2 2 381.549 3.607 20 0 GHADLP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(OCCC)c1 ZINC000765793505 854826278 /nfs/dbraw/zinc/82/62/78/854826278.db2.gz ZAFHRDJTKBMQOC-NSHGMRRFSA-N 2 2 376.541 3.778 20 0 GHADLP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(OCCC)c1 ZINC000765793505 854826281 /nfs/dbraw/zinc/82/62/81/854826281.db2.gz ZAFHRDJTKBMQOC-NSHGMRRFSA-N 2 2 376.541 3.778 20 0 GHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674008503 862629012 /nfs/dbraw/zinc/62/90/12/862629012.db2.gz BOXXKGZGTFPUHS-MBSDFSHPSA-N 2 2 395.522 3.742 20 0 GHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674008503 862629020 /nfs/dbraw/zinc/62/90/20/862629020.db2.gz BOXXKGZGTFPUHS-MBSDFSHPSA-N 2 2 395.522 3.742 20 0 GHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008504 862629117 /nfs/dbraw/zinc/62/91/17/862629117.db2.gz BOXXKGZGTFPUHS-WZONZLPQSA-N 2 2 395.522 3.742 20 0 GHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674008504 862629121 /nfs/dbraw/zinc/62/91/21/862629121.db2.gz BOXXKGZGTFPUHS-WZONZLPQSA-N 2 2 395.522 3.742 20 0 GHADLP Fc1ccc(Cn2cc(C[NH2+]CCc3[nH+]ccn3Cc3ccccc3)cn2)cc1 ZINC000189030365 855011983 /nfs/dbraw/zinc/01/19/83/855011983.db2.gz OBFXHHXUSYSTBT-UHFFFAOYSA-N 2 2 389.478 3.648 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000482017048 862632635 /nfs/dbraw/zinc/63/26/35/862632635.db2.gz PHKUMNNLGWPERT-RBUKOAKNSA-N 2 2 385.577 3.811 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000482017048 862632643 /nfs/dbraw/zinc/63/26/43/862632643.db2.gz PHKUMNNLGWPERT-RBUKOAKNSA-N 2 2 385.577 3.811 20 0 GHADLP COc1cccc([C@@H]2[C@@H](NC(=O)c3sccc3C[NH+](C)C)CC[N@@H+]2C2CC2)c1 ZINC000482051491 862643677 /nfs/dbraw/zinc/64/36/77/862643677.db2.gz RJSYHOVGKZJKHI-VQTJNVASSA-N 2 2 399.560 3.526 20 0 GHADLP COc1cccc([C@@H]2[C@@H](NC(=O)c3sccc3C[NH+](C)C)CC[N@H+]2C2CC2)c1 ZINC000482051491 862643683 /nfs/dbraw/zinc/64/36/83/862643683.db2.gz RJSYHOVGKZJKHI-VQTJNVASSA-N 2 2 399.560 3.526 20 0 GHADLP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000589881573 855172809 /nfs/dbraw/zinc/17/28/09/855172809.db2.gz KLAORVYEGDJRMV-QHCPKHFHSA-N 2 2 388.515 3.888 20 0 GHADLP Cc1cnc(Cl)c(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000921689706 855393622 /nfs/dbraw/zinc/39/36/22/855393622.db2.gz KPPZOMJLZAAJJY-HNNXBMFYSA-N 2 2 376.907 3.785 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(CC(F)(F)F)no2)CC1 ZINC000441501930 855482579 /nfs/dbraw/zinc/48/25/79/855482579.db2.gz DZJUPMOKLFRTNC-UHFFFAOYSA-N 2 2 382.430 3.518 20 0 GHADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(CC(F)(F)F)no2)CC1 ZINC000441501930 855482583 /nfs/dbraw/zinc/48/25/83/855482583.db2.gz DZJUPMOKLFRTNC-UHFFFAOYSA-N 2 2 382.430 3.518 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168002032 855542797 /nfs/dbraw/zinc/54/27/97/855542797.db2.gz CAYMSHIEIUBIRO-NNFYAJEDSA-N 2 2 377.573 3.722 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002032 855542802 /nfs/dbraw/zinc/54/28/02/855542802.db2.gz CAYMSHIEIUBIRO-NNFYAJEDSA-N 2 2 377.573 3.722 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190649755 855592709 /nfs/dbraw/zinc/59/27/09/855592709.db2.gz ONPVWGAYGQPLOG-OALUTQOASA-N 2 2 389.588 3.520 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000190649755 855592712 /nfs/dbraw/zinc/59/27/12/855592712.db2.gz ONPVWGAYGQPLOG-OALUTQOASA-N 2 2 389.588 3.520 20 0 GHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+]([C@@H]3CCCN(Cc4ccccc4)C3=O)C2)CC1 ZINC000760818355 855853132 /nfs/dbraw/zinc/85/31/32/855853132.db2.gz CCLYDTYEHXKTDF-DHIUTWEWSA-N 2 2 383.580 3.622 20 0 GHADLP CC1CC[NH+](C[C@H]2CCC[N@H+]([C@@H]3CCCN(Cc4ccccc4)C3=O)C2)CC1 ZINC000760818355 855853134 /nfs/dbraw/zinc/85/31/34/855853134.db2.gz CCLYDTYEHXKTDF-DHIUTWEWSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000568742849 855997553 /nfs/dbraw/zinc/99/75/53/855997553.db2.gz IXLJJRFZFQVJKQ-HOJAQTOUSA-N 2 2 381.495 3.607 20 0 GHADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000568742849 855997556 /nfs/dbraw/zinc/99/75/56/855997556.db2.gz IXLJJRFZFQVJKQ-HOJAQTOUSA-N 2 2 381.495 3.607 20 0 GHADLP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000568742849 855997558 /nfs/dbraw/zinc/99/75/58/855997558.db2.gz IXLJJRFZFQVJKQ-HOJAQTOUSA-N 2 2 381.495 3.607 20 0 GHADLP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000568742849 855997560 /nfs/dbraw/zinc/99/75/60/855997560.db2.gz IXLJJRFZFQVJKQ-HOJAQTOUSA-N 2 2 381.495 3.607 20 0 GHADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171884630 856298648 /nfs/dbraw/zinc/29/86/48/856298648.db2.gz WULNMIAOJXTULY-BRTIRZTQSA-N 2 2 386.499 3.798 20 0 GHADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171884630 856298657 /nfs/dbraw/zinc/29/86/57/856298657.db2.gz WULNMIAOJXTULY-BRTIRZTQSA-N 2 2 386.499 3.798 20 0 GHADLP CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cs1 ZINC000674489973 856338862 /nfs/dbraw/zinc/33/88/62/856338862.db2.gz IHHBURAMFMQECQ-INIZCTEOSA-N 2 2 375.538 3.615 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000485350403 856376840 /nfs/dbraw/zinc/37/68/40/856376840.db2.gz MPGSZTJASWIWSL-UWJYYQICSA-N 2 2 381.520 3.636 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000485350403 856376850 /nfs/dbraw/zinc/37/68/50/856376850.db2.gz MPGSZTJASWIWSL-UWJYYQICSA-N 2 2 381.520 3.636 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000485350403 856376853 /nfs/dbraw/zinc/37/68/53/856376853.db2.gz MPGSZTJASWIWSL-UWJYYQICSA-N 2 2 381.520 3.636 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000485350403 856376864 /nfs/dbraw/zinc/37/68/64/856376864.db2.gz MPGSZTJASWIWSL-UWJYYQICSA-N 2 2 381.520 3.636 20 0 GHADLP CC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1F ZINC000265679869 856819053 /nfs/dbraw/zinc/81/90/53/856819053.db2.gz ZLBGNGNUWOBGQE-NRFANRHFSA-N 2 2 387.474 3.593 20 0 GHADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047270555 856988820 /nfs/dbraw/zinc/98/88/20/856988820.db2.gz XDYITBRRHWSTRE-UHFFFAOYSA-N 2 2 388.515 3.847 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000665253415 857050410 /nfs/dbraw/zinc/05/04/10/857050410.db2.gz PWVKYXMOHKOUJG-QKAVXHIFSA-N 2 2 385.458 3.646 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000665253414 857050561 /nfs/dbraw/zinc/05/05/61/857050561.db2.gz PWVKYXMOHKOUJG-KPFBPEDLSA-N 2 2 385.458 3.646 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)cc1 ZINC000665256492 857137512 /nfs/dbraw/zinc/13/75/12/857137512.db2.gz BOWYUBJEHKNYPR-NDXORKPFSA-N 2 2 382.504 3.653 20 0 GHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000057376093 857195988 /nfs/dbraw/zinc/19/59/88/857195988.db2.gz HIXYHWSYNYHUQM-PMACEKPBSA-N 2 2 397.567 3.641 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)cc1F ZINC000665259723 857208267 /nfs/dbraw/zinc/20/82/67/857208267.db2.gz NTGWROUDMGXXJF-RFVSGWPVSA-N 2 2 385.483 3.589 20 0 GHADLP CC(=O)c1cccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000057843686 857241967 /nfs/dbraw/zinc/24/19/67/857241967.db2.gz JPALINGGYRCAMG-UHFFFAOYSA-N 2 2 393.531 3.672 20 0 GHADLP CC(=O)c1cccc(NC(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000057843686 857241974 /nfs/dbraw/zinc/24/19/74/857241974.db2.gz JPALINGGYRCAMG-UHFFFAOYSA-N 2 2 393.531 3.672 20 0 GHADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000593293277 857456397 /nfs/dbraw/zinc/45/63/97/857456397.db2.gz PDVBYDSRTBWCNP-IFMALSPDSA-N 2 2 384.499 3.707 20 0 GHADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000593293277 857456403 /nfs/dbraw/zinc/45/64/03/857456403.db2.gz PDVBYDSRTBWCNP-IFMALSPDSA-N 2 2 384.499 3.707 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000521063423 857573942 /nfs/dbraw/zinc/57/39/42/857573942.db2.gz UQIZCMXXPGUNAH-NQIIRXRSSA-N 2 2 390.487 3.598 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000521063423 857573952 /nfs/dbraw/zinc/57/39/52/857573952.db2.gz UQIZCMXXPGUNAH-NQIIRXRSSA-N 2 2 390.487 3.598 20 0 GHADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000181591771 862932199 /nfs/dbraw/zinc/93/21/99/862932199.db2.gz UALKJEMEIIWRKV-QGZVFWFLSA-N 2 2 378.520 3.993 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cnn1-c1ccc(F)cc1 ZINC000675880876 857659368 /nfs/dbraw/zinc/65/93/68/857659368.db2.gz ICTISKYFSCJMDJ-IIBYNOLFSA-N 2 2 386.515 3.614 20 0 GHADLP CCC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000675886095 857661009 /nfs/dbraw/zinc/66/10/09/857661009.db2.gz NFPXBQGVRUWXBQ-PMACEKPBSA-N 2 2 399.501 3.543 20 0 GHADLP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676132837 857746074 /nfs/dbraw/zinc/74/60/74/857746074.db2.gz GOVWIFLLQADTKS-FQEVSTJZSA-N 2 2 397.523 3.617 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000544347185 857877380 /nfs/dbraw/zinc/87/73/80/857877380.db2.gz KSPQLWONUHTVBL-UHFFFAOYSA-N 2 2 378.320 3.892 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000544347185 857877382 /nfs/dbraw/zinc/87/73/82/857877382.db2.gz KSPQLWONUHTVBL-UHFFFAOYSA-N 2 2 378.320 3.892 20 0 GHADLP Cc1oc2nc(C[N@@H+]3CCCC[C@@H]3[C@@H](C[NH3+])Cc3ccccc3)nc(N)c2c1C ZINC000574637883 858125714 /nfs/dbraw/zinc/12/57/14/858125714.db2.gz JDTCDJRCBSGQJH-RTBURBONSA-N 2 2 393.535 3.594 20 0 GHADLP Cc1oc2nc(C[N@H+]3CCCC[C@@H]3[C@@H](C[NH3+])Cc3ccccc3)nc(N)c2c1C ZINC000574637883 858125720 /nfs/dbraw/zinc/12/57/20/858125720.db2.gz JDTCDJRCBSGQJH-RTBURBONSA-N 2 2 393.535 3.594 20 0 GHADLP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000521980627 858506611 /nfs/dbraw/zinc/50/66/11/858506611.db2.gz NEXBQRINHCQDCQ-UHFFFAOYSA-N 2 2 392.528 3.733 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)C1CCC(F)(F)CC1 ZINC000474053946 858725188 /nfs/dbraw/zinc/72/51/88/858725188.db2.gz FKIZUBBLPHBMRY-KRWDZBQOSA-N 2 2 382.495 3.701 20 0 GHADLP Clc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCCCO2 ZINC000676712931 858774252 /nfs/dbraw/zinc/77/42/52/858774252.db2.gz UBWZMWNSTMLHED-LPHOPBHVSA-N 2 2 376.928 3.950 20 0 GHADLP Clc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCCCO2 ZINC000676712931 858774256 /nfs/dbraw/zinc/77/42/56/858774256.db2.gz UBWZMWNSTMLHED-LPHOPBHVSA-N 2 2 376.928 3.950 20 0 GHADLP Clc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCCCO2 ZINC000676712931 858774261 /nfs/dbraw/zinc/77/42/61/858774261.db2.gz UBWZMWNSTMLHED-LPHOPBHVSA-N 2 2 376.928 3.950 20 0 GHADLP Clc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc2c1OCCCO2 ZINC000676712931 858774266 /nfs/dbraw/zinc/77/42/66/858774266.db2.gz UBWZMWNSTMLHED-LPHOPBHVSA-N 2 2 376.928 3.950 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168020348 858816392 /nfs/dbraw/zinc/81/63/92/858816392.db2.gz MHWCUEPKZVACOJ-ROUUACIJSA-N 2 2 381.520 3.790 20 0 GHADLP Cc1c(-c2cc(C[NH2+]C3[C@H](C)C[NH+](Cc4ccccc4)C[C@H]3C)on2)cnn1C ZINC000189954869 858842443 /nfs/dbraw/zinc/84/24/43/858842443.db2.gz RCARWWMUVHKGOJ-IAGOWNOFSA-N 2 2 393.535 3.630 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000482789681 858865220 /nfs/dbraw/zinc/86/52/20/858865220.db2.gz LZPJWBZPUCRVOV-UTKZUKDTSA-N 2 2 391.987 3.587 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000482789681 858865232 /nfs/dbraw/zinc/86/52/32/858865232.db2.gz LZPJWBZPUCRVOV-UTKZUKDTSA-N 2 2 391.987 3.587 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1cc2ccccc2s1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000184377377 858923570 /nfs/dbraw/zinc/92/35/70/858923570.db2.gz XBFJIASVOQQCTQ-IAGOWNOFSA-N 2 2 394.544 3.684 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Br)ccc1F ZINC000765974901 858940696 /nfs/dbraw/zinc/94/06/96/858940696.db2.gz ITFFKWQQTDNUNX-BBRMVZONSA-N 2 2 385.321 3.882 20 0 GHADLP Cc1ncsc1C[N@H+](C[C@@H](O)c1ccccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC000923338931 859235613 /nfs/dbraw/zinc/23/56/13/859235613.db2.gz MJGQLSXLNXHOLV-WMLDXEAASA-N 2 2 399.482 3.615 20 0 GHADLP Cc1ncsc1C[N@@H+](C[C@@H](O)c1ccccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC000923338931 859235621 /nfs/dbraw/zinc/23/56/21/859235621.db2.gz MJGQLSXLNXHOLV-WMLDXEAASA-N 2 2 399.482 3.615 20 0 GHADLP Cc1ccc(-c2ccsc2C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601479607 859293214 /nfs/dbraw/zinc/29/32/14/859293214.db2.gz YEHRTARBDSVEGB-HXUWFJFHSA-N 2 2 397.588 3.964 20 0 GHADLP Cc1ccc(-c2ccsc2C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601479607 859293225 /nfs/dbraw/zinc/29/32/25/859293225.db2.gz YEHRTARBDSVEGB-HXUWFJFHSA-N 2 2 397.588 3.964 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1nnn(-c3cccc(Cl)c3)c1C)CCC2 ZINC000483443601 859378366 /nfs/dbraw/zinc/37/83/66/859378366.db2.gz DDDKCTDIFPSSQY-ZBFHGGJFSA-N 2 2 384.915 3.962 20 0 GHADLP O=c1[nH]c(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)nc2c3ccccc3oc21 ZINC000923507833 859378475 /nfs/dbraw/zinc/37/84/75/859378475.db2.gz QTAWXISOZQBHSW-HNNXBMFYSA-N 2 2 380.492 3.683 20 0 GHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429453073 859410555 /nfs/dbraw/zinc/41/05/55/859410555.db2.gz ZWWJMGIEYOGPJF-HYBUGGRVSA-N 2 2 382.548 3.897 20 0 GHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429453073 859410559 /nfs/dbraw/zinc/41/05/59/859410559.db2.gz ZWWJMGIEYOGPJF-HYBUGGRVSA-N 2 2 382.548 3.897 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(F)ccc(O)c3F)C2)ccn1 ZINC000856558527 881424348 /nfs/dbraw/zinc/42/43/48/881424348.db2.gz IWQGWBNJBQLYMT-KRWDZBQOSA-N 2 2 391.462 3.559 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(F)ccc(O)c3F)C2)ccn1 ZINC000856558527 881424357 /nfs/dbraw/zinc/42/43/57/881424357.db2.gz IWQGWBNJBQLYMT-KRWDZBQOSA-N 2 2 391.462 3.559 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3c(F)ccc(O)c3F)C2)ccn1 ZINC000856558527 881424374 /nfs/dbraw/zinc/42/43/74/881424374.db2.gz IWQGWBNJBQLYMT-KRWDZBQOSA-N 2 2 391.462 3.559 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3c(F)ccc(O)c3F)C2)ccn1 ZINC000856558527 881424385 /nfs/dbraw/zinc/42/43/85/881424385.db2.gz IWQGWBNJBQLYMT-KRWDZBQOSA-N 2 2 391.462 3.559 20 0 GHADLP C[C@@H]1CCN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000251861248 859566672 /nfs/dbraw/zinc/56/66/72/859566672.db2.gz SERRKRRXNQEVHM-UNWVZKJWSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@@H]1CCN(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000251861248 859566678 /nfs/dbraw/zinc/56/66/78/859566678.db2.gz SERRKRRXNQEVHM-UNWVZKJWSA-N 2 2 395.551 3.530 20 0 GHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474320157 859829945 /nfs/dbraw/zinc/82/99/45/859829945.db2.gz BNYWLIRBHLVZCA-RTWAWAEBSA-N 2 2 399.510 3.727 20 0 GHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474320157 859829956 /nfs/dbraw/zinc/82/99/56/859829956.db2.gz BNYWLIRBHLVZCA-RTWAWAEBSA-N 2 2 399.510 3.727 20 0 GHADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CCCO2 ZINC000484174832 859847740 /nfs/dbraw/zinc/84/77/40/859847740.db2.gz SLQLSPPIZGCDLG-ISKFKSNPSA-N 2 2 380.532 3.744 20 0 GHADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CCCO2 ZINC000484174832 859847753 /nfs/dbraw/zinc/84/77/53/859847753.db2.gz SLQLSPPIZGCDLG-ISKFKSNPSA-N 2 2 380.532 3.744 20 0 GHADLP Cc1nn2c(C[NH2+][C@@H](Cn3cc[nH+]c3)c3ccccc3)c(C(C)C)nc2s1 ZINC000895711609 859848709 /nfs/dbraw/zinc/84/87/09/859848709.db2.gz RGDSGNMSRMBIIO-KRWDZBQOSA-N 2 2 380.521 3.950 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cnc2ccsc2c1 ZINC000484153349 859848842 /nfs/dbraw/zinc/84/88/42/859848842.db2.gz AHEJCXNLAZLMPL-VDGAXYAQSA-N 2 2 381.545 3.830 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cnc2ccsc2c1 ZINC000484153349 859848857 /nfs/dbraw/zinc/84/88/57/859848857.db2.gz AHEJCXNLAZLMPL-VDGAXYAQSA-N 2 2 381.545 3.830 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000765251446 859867132 /nfs/dbraw/zinc/86/71/32/859867132.db2.gz FTIFFUJRFKVBHO-CABCVRRESA-N 2 2 382.346 3.630 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(F)c(F)cc3F)C2)ccn1 ZINC000856562185 881471579 /nfs/dbraw/zinc/47/15/79/881471579.db2.gz ZVJHNUQNNDIULX-SFHVURJKSA-N 2 2 393.453 3.992 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(F)c(F)cc3F)C2)ccn1 ZINC000856562185 881471583 /nfs/dbraw/zinc/47/15/83/881471583.db2.gz ZVJHNUQNNDIULX-SFHVURJKSA-N 2 2 393.453 3.992 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(F)c(F)cc3F)C2)ccn1 ZINC000856562185 881471590 /nfs/dbraw/zinc/47/15/90/881471590.db2.gz ZVJHNUQNNDIULX-SFHVURJKSA-N 2 2 393.453 3.992 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(F)c(F)cc3F)C2)ccn1 ZINC000856562185 881471594 /nfs/dbraw/zinc/47/15/94/881471594.db2.gz ZVJHNUQNNDIULX-SFHVURJKSA-N 2 2 393.453 3.992 20 0 GHADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccccc1I ZINC000484300818 859933693 /nfs/dbraw/zinc/93/36/93/859933693.db2.gz SRDWDPZVQXBQBA-CYBMUJFWSA-N 2 2 381.261 3.839 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+](C)C)cc1 ZINC000474392586 859984794 /nfs/dbraw/zinc/98/47/94/859984794.db2.gz PGTGXIHLBGKKHZ-WIYYLYMNSA-N 2 2 382.552 3.620 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[NH+](C)C)cc1 ZINC000474392586 859984805 /nfs/dbraw/zinc/98/48/05/859984805.db2.gz PGTGXIHLBGKKHZ-WIYYLYMNSA-N 2 2 382.552 3.620 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000532218522 881499696 /nfs/dbraw/zinc/49/96/96/881499696.db2.gz ANRLAKCANWTIAT-QZTJIDSGSA-N 2 2 379.976 3.787 20 0 GHADLP C[C@@H](c1nnc(SCCC[NH+]2CCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000194966885 860191661 /nfs/dbraw/zinc/19/16/61/860191661.db2.gz SDLIYUFEOGGKNN-HNNXBMFYSA-N 2 2 377.533 3.607 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000921536456 860222607 /nfs/dbraw/zinc/22/26/07/860222607.db2.gz QQBDAXOUYNCQOK-CQSZACIVSA-N 2 2 377.330 3.836 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000921536456 860222615 /nfs/dbraw/zinc/22/26/15/860222615.db2.gz QQBDAXOUYNCQOK-CQSZACIVSA-N 2 2 377.330 3.836 20 0 GHADLP COc1ccccc1OCCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000765730663 860499804 /nfs/dbraw/zinc/49/98/04/860499804.db2.gz DQQVFTXOAQFOKV-UHFFFAOYSA-N 2 2 383.536 3.789 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)cc1F ZINC000474618686 860513838 /nfs/dbraw/zinc/51/38/38/860513838.db2.gz JJBJQMOJUWJFHH-UHFFFAOYSA-N 2 2 379.414 3.934 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc(C(C)(C)C)cs3)C2)ccn1 ZINC000856589788 881560616 /nfs/dbraw/zinc/56/06/16/881560616.db2.gz NTSVSKLFRSJASG-GOSISDBHSA-N 2 2 388.581 3.941 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc(C(C)(C)C)cs3)C2)ccn1 ZINC000856589788 881560636 /nfs/dbraw/zinc/56/06/36/881560636.db2.gz NTSVSKLFRSJASG-GOSISDBHSA-N 2 2 388.581 3.941 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3nc(C(C)(C)C)cs3)C2)ccn1 ZINC000856589788 881560646 /nfs/dbraw/zinc/56/06/46/881560646.db2.gz NTSVSKLFRSJASG-GOSISDBHSA-N 2 2 388.581 3.941 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3nc(C(C)(C)C)cs3)C2)ccn1 ZINC000856589788 881560661 /nfs/dbraw/zinc/56/06/61/881560661.db2.gz NTSVSKLFRSJASG-GOSISDBHSA-N 2 2 388.581 3.941 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnc(Cl)s3)C2)ccn1 ZINC000856598777 881572475 /nfs/dbraw/zinc/57/24/75/881572475.db2.gz BZQRIYKZLOQLSE-INIZCTEOSA-N 2 2 380.945 3.685 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnc(Cl)s3)C2)ccn1 ZINC000856598777 881572489 /nfs/dbraw/zinc/57/24/89/881572489.db2.gz BZQRIYKZLOQLSE-INIZCTEOSA-N 2 2 380.945 3.685 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cnc(Cl)s3)C2)ccn1 ZINC000856598777 881572496 /nfs/dbraw/zinc/57/24/96/881572496.db2.gz BZQRIYKZLOQLSE-INIZCTEOSA-N 2 2 380.945 3.685 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cnc(Cl)s3)C2)ccn1 ZINC000856598777 881572509 /nfs/dbraw/zinc/57/25/09/881572509.db2.gz BZQRIYKZLOQLSE-INIZCTEOSA-N 2 2 380.945 3.685 20 0 GHADLP Fc1ccc(Oc2nc3ccccn3c2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000623360896 860920929 /nfs/dbraw/zinc/92/09/29/860920929.db2.gz DBLBCFPEZDUWME-MSOLQXFVSA-N 2 2 380.467 3.982 20 0 GHADLP Fc1ccc(Oc2nc3ccccn3c2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000623360896 860920946 /nfs/dbraw/zinc/92/09/46/860920946.db2.gz DBLBCFPEZDUWME-MSOLQXFVSA-N 2 2 380.467 3.982 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000429535613 881614977 /nfs/dbraw/zinc/61/49/77/881614977.db2.gz CAVABJNLRZBPGN-GOSISDBHSA-N 2 2 397.485 3.613 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000429535613 881614986 /nfs/dbraw/zinc/61/49/86/881614986.db2.gz CAVABJNLRZBPGN-GOSISDBHSA-N 2 2 397.485 3.613 20 0 GHADLP FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000182798738 863358927 /nfs/dbraw/zinc/35/89/27/863358927.db2.gz IQIVRVFRSUVWJC-QGZVFWFLSA-N 2 2 375.398 3.925 20 0 GHADLP FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000182798738 863358935 /nfs/dbraw/zinc/35/89/35/863358935.db2.gz IQIVRVFRSUVWJC-QGZVFWFLSA-N 2 2 375.398 3.925 20 0 GHADLP Cc1cccn2cc(CC(=O)N(C)[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)[nH+]c12 ZINC000606309189 863514543 /nfs/dbraw/zinc/51/45/43/863514543.db2.gz BGBHVJFMBDXOHS-UGKGYDQZSA-N 2 2 390.531 3.697 20 0 GHADLP Cc1cccn2cc(CC(=O)N(C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)[nH+]c12 ZINC000606309189 863514551 /nfs/dbraw/zinc/51/45/51/863514551.db2.gz BGBHVJFMBDXOHS-UGKGYDQZSA-N 2 2 390.531 3.697 20 0 GHADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H](c3ccccc3)[NH+](C)C)c2)C[C@@H](C)O1 ZINC000606377270 863571996 /nfs/dbraw/zinc/57/19/96/863571996.db2.gz QGPMNBBJGWPQCY-HMFYCAOWSA-N 2 2 381.520 3.537 20 0 GHADLP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000494407546 881682076 /nfs/dbraw/zinc/68/20/76/881682076.db2.gz UWDYTUUMLBQHJQ-IBGZPJMESA-N 2 2 389.528 3.961 20 0 GHADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1cn(Cc3ccccc3)nc1-c1ccccc1)CC2 ZINC000494415256 881692129 /nfs/dbraw/zinc/69/21/29/881692129.db2.gz YGRQLLHOQNSILV-JOCHJYFZSA-N 2 2 383.499 3.900 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000159205749 864066631 /nfs/dbraw/zinc/06/66/31/864066631.db2.gz OBKSCYUPUIBMAR-UHFFFAOYSA-N 2 2 376.504 3.747 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000159205749 864066641 /nfs/dbraw/zinc/06/66/41/864066641.db2.gz OBKSCYUPUIBMAR-UHFFFAOYSA-N 2 2 376.504 3.747 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000655707714 864298949 /nfs/dbraw/zinc/29/89/49/864298949.db2.gz AVYABOBXHRMKGM-UHFFFAOYSA-N 2 2 389.341 3.660 20 0 GHADLP O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000792872788 881763045 /nfs/dbraw/zinc/76/30/45/881763045.db2.gz PIPWHCBIUYZRIR-UBFVSLLYSA-N 2 2 394.559 3.866 20 0 GHADLP O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000792872788 881763063 /nfs/dbraw/zinc/76/30/63/881763063.db2.gz PIPWHCBIUYZRIR-UBFVSLLYSA-N 2 2 394.559 3.866 20 0 GHADLP O[C@H](c1ccccc1)[C@H]1CCCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000792872788 881763079 /nfs/dbraw/zinc/76/30/79/881763079.db2.gz PIPWHCBIUYZRIR-UBFVSLLYSA-N 2 2 394.559 3.866 20 0 GHADLP O[C@H](c1ccccc1)[C@H]1CCCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000792872788 881763092 /nfs/dbraw/zinc/76/30/92/881763092.db2.gz PIPWHCBIUYZRIR-UBFVSLLYSA-N 2 2 394.559 3.866 20 0 GHADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000163862000 864571785 /nfs/dbraw/zinc/57/17/85/864571785.db2.gz JTXHXFJSIXDHSZ-KRWDZBQOSA-N 2 2 387.549 3.951 20 0 GHADLP C[C@H]1CC([NH+]2CCN(c3nccc(Cl)n3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065499 865080805 /nfs/dbraw/zinc/08/08/05/865080805.db2.gz WXLWVASOHBALGQ-ROUUACIJSA-N 2 2 399.970 3.694 20 0 GHADLP Cc1ccnc(N2CC[NH+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)CC2)c1 ZINC001168065445 865080842 /nfs/dbraw/zinc/08/08/42/865080842.db2.gz WFRFJVPGNLZKBK-NHCUHLMSSA-N 2 2 378.564 3.954 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Oc2ccc(F)cc2)cc1Cl ZINC000480690286 865095123 /nfs/dbraw/zinc/09/51/23/865095123.db2.gz QXGXOTAVBXNZFS-JLTOFOAXSA-N 2 2 378.875 3.989 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Oc2ccc(F)cc2)cc1Cl ZINC000480690286 865095126 /nfs/dbraw/zinc/09/51/26/865095126.db2.gz QXGXOTAVBXNZFS-JLTOFOAXSA-N 2 2 378.875 3.989 20 0 GHADLP Cn1cc[nH+]c1C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000608206911 865100814 /nfs/dbraw/zinc/10/08/14/865100814.db2.gz NGGBCMFECNHBBN-QFIPXVFZSA-N 2 2 388.515 3.730 20 0 GHADLP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000480740231 865206976 /nfs/dbraw/zinc/20/69/76/865206976.db2.gz OSUOECROLDFGDU-QHCPKHFHSA-N 2 2 397.538 3.967 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608313575 865227037 /nfs/dbraw/zinc/22/70/37/865227037.db2.gz BBVVEUJUAHXMMQ-UHFFFAOYSA-N 2 2 389.459 3.881 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608313575 865227052 /nfs/dbraw/zinc/22/70/52/865227052.db2.gz BBVVEUJUAHXMMQ-UHFFFAOYSA-N 2 2 389.459 3.881 20 0 GHADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000494529158 881854194 /nfs/dbraw/zinc/85/41/94/881854194.db2.gz GWCWAGUEISQTNJ-FCEUIQTBSA-N 2 2 395.551 3.675 20 0 GHADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000494529158 881854206 /nfs/dbraw/zinc/85/42/06/881854206.db2.gz GWCWAGUEISQTNJ-FCEUIQTBSA-N 2 2 395.551 3.675 20 0 GHADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc3ccccc3C1)CCCO2 ZINC000480790930 865279815 /nfs/dbraw/zinc/27/98/15/865279815.db2.gz WTAXQUMBDSUNER-FYYLOGMGSA-N 2 2 380.532 3.526 20 0 GHADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc3ccccc3C1)CCCO2 ZINC000480790930 865279824 /nfs/dbraw/zinc/27/98/24/865279824.db2.gz WTAXQUMBDSUNER-FYYLOGMGSA-N 2 2 380.532 3.526 20 0 GHADLP Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)cc1 ZINC000480888492 865442404 /nfs/dbraw/zinc/44/24/04/865442404.db2.gz YIRUNWTXVAVQQS-YKSBVNFPSA-N 2 2 390.531 3.905 20 0 GHADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H](C(C)C)[NH+]3C[C@@H](C)O[C@@H](C)C3)c2C1 ZINC000494535952 881872394 /nfs/dbraw/zinc/87/23/94/881872394.db2.gz FCFLTCMYWMIXLP-KGVIQGDOSA-N 2 2 387.568 3.731 20 0 GHADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H](C(C)C)[NH+]3C[C@@H](C)O[C@@H](C)C3)c2C1 ZINC000494535952 881872414 /nfs/dbraw/zinc/87/24/14/881872414.db2.gz FCFLTCMYWMIXLP-KGVIQGDOSA-N 2 2 387.568 3.731 20 0 GHADLP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H](C(C)C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2C1 ZINC000494535952 881872424 /nfs/dbraw/zinc/87/24/24/881872424.db2.gz FCFLTCMYWMIXLP-KGVIQGDOSA-N 2 2 387.568 3.731 20 0 GHADLP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H](C(C)C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2C1 ZINC000494535952 881872447 /nfs/dbraw/zinc/87/24/47/881872447.db2.gz FCFLTCMYWMIXLP-KGVIQGDOSA-N 2 2 387.568 3.731 20 0 GHADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000172081614 865483246 /nfs/dbraw/zinc/48/32/46/865483246.db2.gz PJOUZAHMBZHAEA-QHCPKHFHSA-N 2 2 379.548 3.838 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000301800778 865542033 /nfs/dbraw/zinc/54/20/33/865542033.db2.gz VURIPPPJYRMHST-IERDGZPVSA-N 2 2 379.504 3.865 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000301800778 865542044 /nfs/dbraw/zinc/54/20/44/865542044.db2.gz VURIPPPJYRMHST-IERDGZPVSA-N 2 2 379.504 3.865 20 0 GHADLP CCc1cccc(NC(=O)C[NH+]2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)c1 ZINC000555132552 865552356 /nfs/dbraw/zinc/55/23/56/865552356.db2.gz KWJIHWXPPQEMSM-IBGZPJMESA-N 2 2 398.576 3.631 20 0 GHADLP CCc1cccc(NC(=O)C[NH+]2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)c1 ZINC000555132552 865552364 /nfs/dbraw/zinc/55/23/64/865552364.db2.gz KWJIHWXPPQEMSM-IBGZPJMESA-N 2 2 398.576 3.631 20 0 GHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000301865474 865574463 /nfs/dbraw/zinc/57/44/63/865574463.db2.gz FVXNXGGBIWRFNV-GOSISDBHSA-N 2 2 378.524 3.558 20 0 GHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000301865474 865574473 /nfs/dbraw/zinc/57/44/73/865574473.db2.gz FVXNXGGBIWRFNV-GOSISDBHSA-N 2 2 378.524 3.558 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc2ccccc2c1OC(F)F ZINC000481176453 865925923 /nfs/dbraw/zinc/92/59/23/865925923.db2.gz RTFZGWFADNFQFI-OAHLLOKOSA-N 2 2 378.463 3.939 20 0 GHADLP COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481183779 865948280 /nfs/dbraw/zinc/94/82/80/865948280.db2.gz SKUJTUJIYOOCSW-WSTZPKSXSA-N 2 2 381.520 3.522 20 0 GHADLP COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481183779 865948286 /nfs/dbraw/zinc/94/82/86/865948286.db2.gz SKUJTUJIYOOCSW-WSTZPKSXSA-N 2 2 381.520 3.522 20 0 GHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481190055 865972775 /nfs/dbraw/zinc/97/27/75/865972775.db2.gz LEDHABZGJLDXEM-SPEDKVCISA-N 2 2 381.520 3.522 20 0 GHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481190055 865972784 /nfs/dbraw/zinc/97/27/84/865972784.db2.gz LEDHABZGJLDXEM-SPEDKVCISA-N 2 2 381.520 3.522 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc2c(c1)CCC2 ZINC000481193819 865981964 /nfs/dbraw/zinc/98/19/64/865981964.db2.gz UFOYARWGAAAYBG-IBGZPJMESA-N 2 2 380.532 3.737 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)oc(=O)n3C)CC[N@@H+]1Cc1ccccc1 ZINC000508485268 865992592 /nfs/dbraw/zinc/99/25/92/865992592.db2.gz XCFITHCSYALXTJ-PXNSSMCTSA-N 2 2 379.504 3.616 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)oc(=O)n3C)CC[N@H+]1Cc1ccccc1 ZINC000508485268 865992600 /nfs/dbraw/zinc/99/26/00/865992600.db2.gz XCFITHCSYALXTJ-PXNSSMCTSA-N 2 2 379.504 3.616 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)oc(=O)n3C)CC[NH+]1Cc1ccccc1 ZINC000508485268 865992607 /nfs/dbraw/zinc/99/26/07/865992607.db2.gz XCFITHCSYALXTJ-PXNSSMCTSA-N 2 2 379.504 3.616 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)oc(=O)n3C)CC[NH+]1Cc1ccccc1 ZINC000508485268 865992614 /nfs/dbraw/zinc/99/26/14/865992614.db2.gz XCFITHCSYALXTJ-PXNSSMCTSA-N 2 2 379.504 3.616 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000175736428 866022207 /nfs/dbraw/zinc/02/22/07/866022207.db2.gz SSAHYPPVGOYYOF-JOCHJYFZSA-N 2 2 381.520 3.540 20 0 GHADLP Cc1cc(Br)cn2c(C[NH2+]C3CC([NH+]4CCCCC4)C3)cnc12 ZINC000475552687 866261802 /nfs/dbraw/zinc/26/18/02/866261802.db2.gz CURCDGOGNMLRIT-UHFFFAOYSA-N 2 2 377.330 3.512 20 0 GHADLP Brc1ccc(-n2cc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cn2)cc1 ZINC000475560705 866285642 /nfs/dbraw/zinc/28/56/42/866285642.db2.gz OWBSWWVCFNSNBO-UHFFFAOYSA-N 2 2 389.341 3.741 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000153364607 866393567 /nfs/dbraw/zinc/39/35/67/866393567.db2.gz LWFUMHLGMHNBLO-AVRDEDQJSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000153364607 866393570 /nfs/dbraw/zinc/39/35/70/866393570.db2.gz LWFUMHLGMHNBLO-AVRDEDQJSA-N 2 2 380.536 3.798 20 0 GHADLP COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000282012166 866533390 /nfs/dbraw/zinc/53/33/90/866533390.db2.gz JTSLKFXZODTHCG-QGZVFWFLSA-N 2 2 393.491 3.658 20 0 GHADLP COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000282012166 866533392 /nfs/dbraw/zinc/53/33/92/866533392.db2.gz JTSLKFXZODTHCG-QGZVFWFLSA-N 2 2 393.491 3.658 20 0 GHADLP CCCCS[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361047 866645264 /nfs/dbraw/zinc/64/52/64/866645264.db2.gz CMJIRZMYLHZJHO-HOJAQTOUSA-N 2 2 383.646 3.704 20 0 GHADLP CCCCS[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361047 866645292 /nfs/dbraw/zinc/64/52/92/866645292.db2.gz CMJIRZMYLHZJHO-HOJAQTOUSA-N 2 2 383.646 3.704 20 0 GHADLP Cc1ccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000534361197 866645861 /nfs/dbraw/zinc/64/58/61/866645861.db2.gz VTHWTULNACYXFQ-GOTSBHOMSA-N 2 2 385.596 3.642 20 0 GHADLP Cc1ccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000534361197 866645868 /nfs/dbraw/zinc/64/58/68/866645868.db2.gz VTHWTULNACYXFQ-GOTSBHOMSA-N 2 2 385.596 3.642 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C2 ZINC000475604445 866758222 /nfs/dbraw/zinc/75/82/22/866758222.db2.gz FYKRNMXAMHKYOO-FUHWJXTLSA-N 2 2 382.552 3.884 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)CC2 ZINC000475604445 866758231 /nfs/dbraw/zinc/75/82/31/866758231.db2.gz FYKRNMXAMHKYOO-FUHWJXTLSA-N 2 2 382.552 3.884 20 0 GHADLP O=C(CCCn1cc[nH+]c1)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000620500366 866800676 /nfs/dbraw/zinc/80/06/76/866800676.db2.gz OOJFZFATLYMXLL-FQEVSTJZSA-N 2 2 394.544 3.641 20 0 GHADLP O=C(CCCn1cc[nH+]c1)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000620500366 866800694 /nfs/dbraw/zinc/80/06/94/866800694.db2.gz OOJFZFATLYMXLL-FQEVSTJZSA-N 2 2 394.544 3.641 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C(C)C ZINC000153606246 866981053 /nfs/dbraw/zinc/98/10/53/866981053.db2.gz BTQDQTHMIAOXMQ-FGZHOGPDSA-N 2 2 397.567 3.920 20 0 GHADLP [NH3+]Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc(C(F)(F)F)c1 ZINC000263060195 882050372 /nfs/dbraw/zinc/05/03/72/882050372.db2.gz YEFPUDMRVJRCJP-SFHVURJKSA-N 2 2 395.400 3.906 20 0 GHADLP [NH3+]Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc(C(F)(F)F)c1 ZINC000263060195 882050387 /nfs/dbraw/zinc/05/03/87/882050387.db2.gz YEFPUDMRVJRCJP-SFHVURJKSA-N 2 2 395.400 3.906 20 0 GHADLP Cc1cn2cc(NC(=O)NC3CC[NH+](Cc4ccccc4C)CC3)ccc2[nH+]1 ZINC000523421558 867292218 /nfs/dbraw/zinc/29/22/18/867292218.db2.gz HGQXFETWMSUEGM-UHFFFAOYSA-N 2 2 377.492 3.737 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1C(F)(F)F ZINC000920425602 882103577 /nfs/dbraw/zinc/10/35/77/882103577.db2.gz NOIOQMXZZRKFRA-SFHVURJKSA-N 2 2 379.357 3.853 20 0 GHADLP Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)c[nH+]1 ZINC000535060451 868009921 /nfs/dbraw/zinc/00/99/21/868009921.db2.gz UWVAYEHUWXKNIK-RBBKRZOGSA-N 2 2 378.520 3.639 20 0 GHADLP Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)c[nH+]1 ZINC000535060451 868009942 /nfs/dbraw/zinc/00/99/42/868009942.db2.gz UWVAYEHUWXKNIK-RBBKRZOGSA-N 2 2 378.520 3.639 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000155685240 868028360 /nfs/dbraw/zinc/02/83/60/868028360.db2.gz ICSZVSUUIMLNMR-SFHVURJKSA-N 2 2 389.503 3.531 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000156517185 868387506 /nfs/dbraw/zinc/38/75/06/868387506.db2.gz WWFGISUNDMQPKI-GLJUWKHASA-N 2 2 395.334 3.950 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000156517185 868387522 /nfs/dbraw/zinc/38/75/22/868387522.db2.gz WWFGISUNDMQPKI-GLJUWKHASA-N 2 2 395.334 3.950 20 0 GHADLP CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000479796725 868504187 /nfs/dbraw/zinc/50/41/87/868504187.db2.gz ORUCQDCPUGTYOR-HSZRJFAPSA-N 2 2 395.547 3.600 20 0 GHADLP CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000479796725 868504195 /nfs/dbraw/zinc/50/41/95/868504195.db2.gz ORUCQDCPUGTYOR-HSZRJFAPSA-N 2 2 395.547 3.600 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1-c1cccs1 ZINC000157808184 868767965 /nfs/dbraw/zinc/76/79/65/868767965.db2.gz VUBQIQWMZBXCAS-UHFFFAOYSA-N 2 2 386.565 3.905 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1-c1cccs1 ZINC000157808184 868767970 /nfs/dbraw/zinc/76/79/70/868767970.db2.gz VUBQIQWMZBXCAS-UHFFFAOYSA-N 2 2 386.565 3.905 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2noc3c2CCCC3)CC1 ZINC000181636675 868951522 /nfs/dbraw/zinc/95/15/22/868951522.db2.gz BMPVLOYGLVXBFE-MRXNPFEDSA-N 2 2 386.515 3.685 20 0 GHADLP CN(C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000190803665 882275778 /nfs/dbraw/zinc/27/57/78/882275778.db2.gz FZEGYHULGXMQDX-RTWAWAEBSA-N 2 2 390.547 3.651 20 0 GHADLP CN(C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000190803665 882275790 /nfs/dbraw/zinc/27/57/90/882275790.db2.gz FZEGYHULGXMQDX-RTWAWAEBSA-N 2 2 390.547 3.651 20 0 GHADLP COc1cc(C)c([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1OC ZINC000539660590 869547090 /nfs/dbraw/zinc/54/70/90/869547090.db2.gz ZQLJBGIXRQZLMQ-SJLPKXTDSA-N 2 2 384.524 3.721 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(Br)o1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000190958442 882320629 /nfs/dbraw/zinc/32/06/29/882320629.db2.gz GWRAWEIUTZMDJO-ZDUSSCGKSA-N 2 2 396.304 3.784 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC[N@H+](Cc2ccccc2)C1 ZINC000524945234 869827187 /nfs/dbraw/zinc/82/71/87/869827187.db2.gz QLCUWWGNZRVJCP-HSZRJFAPSA-N 2 2 380.463 3.812 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000524945234 869827202 /nfs/dbraw/zinc/82/72/02/869827202.db2.gz QLCUWWGNZRVJCP-HSZRJFAPSA-N 2 2 380.463 3.812 20 0 GHADLP CC[N@@H+](Cc1c(C)nc2sc(C)nn12)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539818746 869845235 /nfs/dbraw/zinc/84/52/35/869845235.db2.gz JNXNHWHIXKGSLR-UHFFFAOYSA-N 2 2 384.553 3.541 20 0 GHADLP CC[N@H+](Cc1c(C)nc2sc(C)nn12)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539818746 869845251 /nfs/dbraw/zinc/84/52/51/869845251.db2.gz JNXNHWHIXKGSLR-UHFFFAOYSA-N 2 2 384.553 3.541 20 0 GHADLP O=C(Nc1cccc2[nH+]ccn21)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000525106737 869987036 /nfs/dbraw/zinc/98/70/36/869987036.db2.gz VOFQEZYGJBPXRK-LJQANCHMSA-N 2 2 388.393 3.727 20 0 GHADLP O=C(Nc1cccc2[nH+]ccn21)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000525106737 869987040 /nfs/dbraw/zinc/98/70/40/869987040.db2.gz VOFQEZYGJBPXRK-LJQANCHMSA-N 2 2 388.393 3.727 20 0 GHADLP O=C(CC[NH2+]Cc1ccc(C2CCCC2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000462793144 870090835 /nfs/dbraw/zinc/09/08/35/870090835.db2.gz YHXQJAYOHKMUOP-UHFFFAOYSA-N 2 2 392.547 3.568 20 0 GHADLP CN(C(=O)CCCC(F)(F)F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539971498 870133393 /nfs/dbraw/zinc/13/33/93/870133393.db2.gz YNWIHTUBBORVKH-DLBZAZTESA-N 2 2 377.495 3.515 20 0 GHADLP CN(C(=O)CCCC(F)(F)F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539971498 870133403 /nfs/dbraw/zinc/13/34/03/870133403.db2.gz YNWIHTUBBORVKH-DLBZAZTESA-N 2 2 377.495 3.515 20 0 GHADLP COc1cccc([C@@H](C)[NH+]2CCN(c3cc(C(C)C)[nH+]c(N(C)C)n3)CC2)c1 ZINC000462818341 870152685 /nfs/dbraw/zinc/15/26/85/870152685.db2.gz PTCZSGFSJZFMFS-QGZVFWFLSA-N 2 2 383.540 3.558 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000185201460 870205259 /nfs/dbraw/zinc/20/52/59/870205259.db2.gz SFFQRCGRNOLHLO-GOSISDBHSA-N 2 2 378.442 3.531 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000248064653 870277182 /nfs/dbraw/zinc/27/71/82/870277182.db2.gz MDKFJLYIGHECQR-JZWVFAODSA-N 2 2 382.527 3.690 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000248064653 870277200 /nfs/dbraw/zinc/27/72/00/870277200.db2.gz MDKFJLYIGHECQR-JZWVFAODSA-N 2 2 382.527 3.690 20 0 GHADLP CSc1ccsc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248383497 870350394 /nfs/dbraw/zinc/35/03/94/870350394.db2.gz AHZYBJNNZAEHNI-DLBZAZTESA-N 2 2 395.638 3.879 20 0 GHADLP CSc1ccsc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248383497 870350406 /nfs/dbraw/zinc/35/04/06/870350406.db2.gz AHZYBJNNZAEHNI-DLBZAZTESA-N 2 2 395.638 3.879 20 0 GHADLP CC[C@H](OC1CCCC1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248386398 870353878 /nfs/dbraw/zinc/35/38/78/870353878.db2.gz MLIGIOUGGYPANS-FSSWDIPSSA-N 2 2 393.616 3.520 20 0 GHADLP CC[C@H](OC1CCCC1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248386398 870353886 /nfs/dbraw/zinc/35/38/86/870353886.db2.gz MLIGIOUGGYPANS-FSSWDIPSSA-N 2 2 393.616 3.520 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(N3CCCC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000538731778 870461615 /nfs/dbraw/zinc/46/16/15/870461615.db2.gz NBFDJRGTCNYLAE-UGKGYDQZSA-N 2 2 379.552 3.562 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(N3CCCC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000538731778 870461654 /nfs/dbraw/zinc/46/16/54/870461654.db2.gz NBFDJRGTCNYLAE-UGKGYDQZSA-N 2 2 379.552 3.562 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc(N3CCCC3)nc2)CC[NH+]1Cc1ccccc1 ZINC000538731778 870461931 /nfs/dbraw/zinc/46/19/31/870461931.db2.gz NBFDJRGTCNYLAE-UGKGYDQZSA-N 2 2 379.552 3.562 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc(N3CCCC3)nc2)CC[NH+]1Cc1ccccc1 ZINC000538731778 870462074 /nfs/dbraw/zinc/46/20/74/870462074.db2.gz NBFDJRGTCNYLAE-UGKGYDQZSA-N 2 2 379.552 3.562 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000248523533 870473140 /nfs/dbraw/zinc/47/31/40/870473140.db2.gz SQHNUWXRWNJQDE-CEMLEFRQSA-N 2 2 392.609 3.790 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000248523533 870473145 /nfs/dbraw/zinc/47/31/45/870473145.db2.gz SQHNUWXRWNJQDE-CEMLEFRQSA-N 2 2 392.609 3.790 20 0 GHADLP C[C@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248567939 870496933 /nfs/dbraw/zinc/49/69/33/870496933.db2.gz LINRWYIKJUQHMI-XKCSPQBFSA-N 2 2 383.580 3.983 20 0 GHADLP C[C@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248567939 870496943 /nfs/dbraw/zinc/49/69/43/870496943.db2.gz LINRWYIKJUQHMI-XKCSPQBFSA-N 2 2 383.580 3.983 20 0 GHADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1S(C)(=O)=O ZINC000446908371 870698546 /nfs/dbraw/zinc/69/85/46/870698546.db2.gz MFBINTQKOQMBEB-OXQOHEQNSA-N 2 2 378.582 3.531 20 0 GHADLP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463053578 870751325 /nfs/dbraw/zinc/75/13/25/870751325.db2.gz AYJCTLBBLHRBKK-PXDATVDWSA-N 2 2 377.576 3.804 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H](c3ncc[nH]3)c3ccccc3)cc2)C[C@H](C)O1 ZINC000249171762 870779118 /nfs/dbraw/zinc/77/91/18/870779118.db2.gz BVJCWMNWOXXOEX-SELNLUPBSA-N 2 2 390.531 3.898 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H](c3ncc[nH]3)c3ccccc3)cc2)C[C@H](C)O1 ZINC000249171762 870779119 /nfs/dbraw/zinc/77/91/19/870779119.db2.gz BVJCWMNWOXXOEX-SELNLUPBSA-N 2 2 390.531 3.898 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463115554 870916067 /nfs/dbraw/zinc/91/60/67/870916067.db2.gz LOPPSFJPMWLVKO-YLJYHZDGSA-N 2 2 384.520 3.855 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463115554 870916075 /nfs/dbraw/zinc/91/60/75/870916075.db2.gz LOPPSFJPMWLVKO-YLJYHZDGSA-N 2 2 384.520 3.855 20 0 GHADLP CCc1nc(NC(=O)C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)sc1C ZINC000538949758 870957397 /nfs/dbraw/zinc/95/73/97/870957397.db2.gz PZGCVBCRUKZYIA-UHFFFAOYSA-N 2 2 392.613 3.786 20 0 GHADLP CCc1nc(NC(=O)C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)sc1C ZINC000538949758 870957405 /nfs/dbraw/zinc/95/74/05/870957405.db2.gz PZGCVBCRUKZYIA-UHFFFAOYSA-N 2 2 392.613 3.786 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC000463138292 870988791 /nfs/dbraw/zinc/98/87/91/870988791.db2.gz OMJSNWYCJABZLJ-XMMPIXPASA-N 2 2 381.539 3.697 20 0 GHADLP CC(C)C[C@H](Cc1ccccc1)[NH+]1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001169067180 871152084 /nfs/dbraw/zinc/15/20/84/871152084.db2.gz IDUAEZWANGXTKT-HSZRJFAPSA-N 2 2 393.575 3.754 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000525709134 871269829 /nfs/dbraw/zinc/26/98/29/871269829.db2.gz TXFUBBKXNCFKEW-SUMWQHHRSA-N 2 2 391.357 3.824 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000525709134 871269849 /nfs/dbraw/zinc/26/98/49/871269849.db2.gz TXFUBBKXNCFKEW-SUMWQHHRSA-N 2 2 391.357 3.824 20 0 GHADLP C[C@@H]1OCC[C@]12C[N@H+](C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1)CCO2 ZINC001194066028 871470668 /nfs/dbraw/zinc/47/06/68/871470668.db2.gz DATOWWPNPVCNNF-GPUOULLFSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1OCC[C@]12C[N@@H+](C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1)CCO2 ZINC001194066028 871470671 /nfs/dbraw/zinc/47/06/71/871470671.db2.gz DATOWWPNPVCNNF-GPUOULLFSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1OCC[C@]12C[NH+](C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)CCO2 ZINC001194066028 871470673 /nfs/dbraw/zinc/47/06/73/871470673.db2.gz DATOWWPNPVCNNF-GPUOULLFSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1OCC[C@]12C[NH+](C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)CCO2 ZINC001194066028 871470675 /nfs/dbraw/zinc/47/06/75/871470675.db2.gz DATOWWPNPVCNNF-GPUOULLFSA-N 2 2 394.559 3.782 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000447430725 871565148 /nfs/dbraw/zinc/56/51/48/871565148.db2.gz ISBDDKPRTYGYCK-UHFFFAOYSA-N 2 2 397.544 3.965 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000447430725 871565164 /nfs/dbraw/zinc/56/51/64/871565164.db2.gz ISBDDKPRTYGYCK-UHFFFAOYSA-N 2 2 397.544 3.965 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103311125 871674854 /nfs/dbraw/zinc/67/48/54/871674854.db2.gz ASQXMLHGPIKGQB-NRFANRHFSA-N 2 2 395.551 3.670 20 0 GHADLP CCOC(=O)N1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)CC1 ZINC001169664497 871733601 /nfs/dbraw/zinc/73/36/01/871733601.db2.gz NMVUYTRQJGJQBL-FQEVSTJZSA-N 2 2 391.531 3.699 20 0 GHADLP O=C(Nc1ccccc1)C1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000447598983 871912586 /nfs/dbraw/zinc/91/25/86/871912586.db2.gz JHPQLBAXJMOESE-DKUWSORSSA-N 2 2 375.516 3.943 20 0 GHADLP O=C(Nc1ccccc1)C1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000447598983 871912600 /nfs/dbraw/zinc/91/26/00/871912600.db2.gz JHPQLBAXJMOESE-DKUWSORSSA-N 2 2 375.516 3.943 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn(Cc3ccccc3)nn2)CC1 ZINC000775615682 871968736 /nfs/dbraw/zinc/96/87/36/871968736.db2.gz ISLWIJJGUXBPST-HXUWFJFHSA-N 2 2 381.568 3.803 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(Cc3ccccc3)nn2)CC1 ZINC000775615682 871968748 /nfs/dbraw/zinc/96/87/48/871968748.db2.gz ISLWIJJGUXBPST-HXUWFJFHSA-N 2 2 381.568 3.803 20 0 GHADLP c1ccc(C(c2ccccc2)[NH+]2CC(C[NH2+][C@H]3CCCC4(C3)OCCO4)C2)cc1 ZINC001169910730 872004336 /nfs/dbraw/zinc/00/43/36/872004336.db2.gz WDPVGPCQKYCVHV-QHCPKHFHSA-N 2 2 392.543 3.983 20 0 GHADLP CC[N@H+](C)[C@@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000447681453 872091537 /nfs/dbraw/zinc/09/15/37/872091537.db2.gz ZNSRFNTWOXHGNQ-OAQYLSRUSA-N 2 2 380.536 3.618 20 0 GHADLP CC[N@@H+](C)[C@@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000447681453 872091561 /nfs/dbraw/zinc/09/15/61/872091561.db2.gz ZNSRFNTWOXHGNQ-OAQYLSRUSA-N 2 2 380.536 3.618 20 0 GHADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(OCc2cccnc2)c1 ZINC000447735077 872220423 /nfs/dbraw/zinc/22/04/23/872220423.db2.gz BINCAKORPXLBIT-LJQANCHMSA-N 2 2 378.476 3.772 20 0 GHADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(OCc2cccnc2)c1 ZINC000447735077 872220445 /nfs/dbraw/zinc/22/04/45/872220445.db2.gz BINCAKORPXLBIT-LJQANCHMSA-N 2 2 378.476 3.772 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3Cc4ccccc4C[C@@H]3c3ccccc3)cn2)CC1 ZINC000093614618 872299938 /nfs/dbraw/zinc/29/99/38/872299938.db2.gz YRIVYRZSYJOOSF-XMMPIXPASA-N 2 2 399.542 3.528 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@H+]3Cc4ccccc4C[C@@H]3c3ccccc3)cn2)CC1 ZINC000093614618 872299959 /nfs/dbraw/zinc/29/99/59/872299959.db2.gz YRIVYRZSYJOOSF-XMMPIXPASA-N 2 2 399.542 3.528 20 0 GHADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000478204601 872686488 /nfs/dbraw/zinc/68/64/88/872686488.db2.gz KQMLFQPQNOGTQC-AVRDEDQJSA-N 2 2 395.551 3.563 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)Cn1ncc2ccc(OCc3ccccc3)cc21 ZINC000767756821 872813661 /nfs/dbraw/zinc/81/36/61/872813661.db2.gz XBCMILJHRZJEST-UHFFFAOYSA-N 2 2 375.476 3.791 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)Cn1ncc2ccc(OCc3ccccc3)cc21 ZINC000767756821 872813666 /nfs/dbraw/zinc/81/36/66/872813666.db2.gz XBCMILJHRZJEST-UHFFFAOYSA-N 2 2 375.476 3.791 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000552579921 872847786 /nfs/dbraw/zinc/84/77/86/872847786.db2.gz LQUFOXVOAPCNFA-QIJUGHKUSA-N 2 2 395.522 3.821 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000552579921 872847790 /nfs/dbraw/zinc/84/77/90/872847790.db2.gz LQUFOXVOAPCNFA-QIJUGHKUSA-N 2 2 395.522 3.821 20 0 GHADLP CC[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[N@@H+]1CCc2ccccc2C1 ZINC000527230249 872885991 /nfs/dbraw/zinc/88/59/91/872885991.db2.gz JDPXANWBNATCKC-QUCCMNQESA-N 2 2 394.563 3.591 20 0 GHADLP CC[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[N@H+]1CCc2ccccc2C1 ZINC000527230249 872886004 /nfs/dbraw/zinc/88/60/04/872886004.db2.gz JDPXANWBNATCKC-QUCCMNQESA-N 2 2 394.563 3.591 20 0 GHADLP CC[C@@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[N@@H+]1CCc2ccccc2C1 ZINC000527230249 872886021 /nfs/dbraw/zinc/88/60/21/872886021.db2.gz JDPXANWBNATCKC-QUCCMNQESA-N 2 2 394.563 3.591 20 0 GHADLP CC[C@@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[N@H+]1CCc2ccccc2C1 ZINC000527230249 872886032 /nfs/dbraw/zinc/88/60/32/872886032.db2.gz JDPXANWBNATCKC-QUCCMNQESA-N 2 2 394.563 3.591 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000152920844 872972901 /nfs/dbraw/zinc/97/29/01/872972901.db2.gz QNTABKJLGSCXPX-DNVCBOLYSA-N 2 2 397.548 3.905 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000191931982 882672173 /nfs/dbraw/zinc/67/21/73/882672173.db2.gz OUXLILAGLMCNCV-UHFFFAOYSA-N 2 2 392.478 3.668 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000191931982 882672178 /nfs/dbraw/zinc/67/21/78/882672178.db2.gz OUXLILAGLMCNCV-UHFFFAOYSA-N 2 2 392.478 3.668 20 0 GHADLP C[C@@H](CCc1n[nH]c2ccccc21)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000541153176 873034084 /nfs/dbraw/zinc/03/40/84/873034084.db2.gz GBQGJJGVPVQSNZ-KRWDZBQOSA-N 2 2 392.551 3.922 20 0 GHADLP CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000541164280 873074844 /nfs/dbraw/zinc/07/48/44/873074844.db2.gz IXMMMJHYIYDKBF-UHFFFAOYSA-N 2 2 382.552 3.906 20 0 GHADLP CC(C)[C@H](NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000541201592 873126774 /nfs/dbraw/zinc/12/67/74/873126774.db2.gz SGZIZEYQOITTAC-QHCPKHFHSA-N 2 2 382.552 3.889 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2c(Cl)cccc2Cl)([NH+]2CCCCC2)CC1 ZINC000176461328 882694772 /nfs/dbraw/zinc/69/47/72/882694772.db2.gz FDQPFHRWNGTGSV-UHFFFAOYSA-N 2 2 384.351 3.674 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3ncc4cccc(OCc5ccccc5)c43)CC[C@@H]21 ZINC000768495293 873354130 /nfs/dbraw/zinc/35/41/30/873354130.db2.gz PFIPGZMDTZXYSG-VXKWHMMOSA-N 2 2 390.531 3.989 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3ncc4cccc(OCc5ccccc5)c43)CC[C@@H]21 ZINC000768495293 873354139 /nfs/dbraw/zinc/35/41/39/873354139.db2.gz PFIPGZMDTZXYSG-VXKWHMMOSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3ncc4cccc(OCc5ccccc5)c43)CC[C@@H]21 ZINC000768495293 873354153 /nfs/dbraw/zinc/35/41/53/873354153.db2.gz PFIPGZMDTZXYSG-VXKWHMMOSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3ncc4cccc(OCc5ccccc5)c43)CC[C@@H]21 ZINC000768495293 873354160 /nfs/dbraw/zinc/35/41/60/873354160.db2.gz PFIPGZMDTZXYSG-VXKWHMMOSA-N 2 2 390.531 3.989 20 0 GHADLP COc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)ccc1OCc1ccncc1 ZINC000527808003 873594539 /nfs/dbraw/zinc/59/45/39/873594539.db2.gz OUJRWNIIBHDNPP-OAQYLSRUSA-N 2 2 381.520 3.776 20 0 GHADLP COc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)ccc1OCc1ccncc1 ZINC000527808003 873594550 /nfs/dbraw/zinc/59/45/50/873594550.db2.gz OUJRWNIIBHDNPP-OAQYLSRUSA-N 2 2 381.520 3.776 20 0 GHADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000527947410 873792789 /nfs/dbraw/zinc/79/27/89/873792789.db2.gz IOSHWXQEQSOICW-PZJWPPBQSA-N 2 2 387.568 3.601 20 0 GHADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000527947410 873792795 /nfs/dbraw/zinc/79/27/95/873792795.db2.gz IOSHWXQEQSOICW-PZJWPPBQSA-N 2 2 387.568 3.601 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1C ZINC000508875243 873815171 /nfs/dbraw/zinc/81/51/71/873815171.db2.gz BRVQHVKLBZCSMB-NQIIRXRSSA-N 2 2 398.551 3.848 20 0 GHADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000541558538 873829549 /nfs/dbraw/zinc/82/95/49/873829549.db2.gz CVGCOOOJGBQKOL-RHSMWYFYSA-N 2 2 383.939 3.899 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)[NH+](C)C)cc1 ZINC000921245026 882769743 /nfs/dbraw/zinc/76/97/43/882769743.db2.gz ZPAHXBBNDBHHAK-JOCHJYFZSA-N 2 2 391.519 3.537 20 0 GHADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000528148797 874088066 /nfs/dbraw/zinc/08/80/66/874088066.db2.gz PNCZXKFZTAJRJC-GHTZIAJQSA-N 2 2 399.583 3.515 20 0 GHADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000528148797 874088083 /nfs/dbraw/zinc/08/80/83/874088083.db2.gz PNCZXKFZTAJRJC-GHTZIAJQSA-N 2 2 399.583 3.515 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NC[C@@H]2CCc3ccccc32)cc1 ZINC001198041753 874194872 /nfs/dbraw/zinc/19/48/72/874194872.db2.gz KUTWUXNYGPONMA-QFIPXVFZSA-N 2 2 379.548 3.530 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NC[C@@H]2CCc3ccccc32)cc1 ZINC001198041753 874194877 /nfs/dbraw/zinc/19/48/77/874194877.db2.gz KUTWUXNYGPONMA-QFIPXVFZSA-N 2 2 379.548 3.530 20 0 GHADLP Fc1ccc(OC[C@@H]2CCC[N@@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001198173309 874259740 /nfs/dbraw/zinc/25/97/40/874259740.db2.gz CEUSDEFCAOSFIU-UPVQGACJSA-N 2 2 398.522 3.960 20 0 GHADLP Fc1ccc(OC[C@@H]2CCC[N@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001198173309 874259751 /nfs/dbraw/zinc/25/97/51/874259751.db2.gz CEUSDEFCAOSFIU-UPVQGACJSA-N 2 2 398.522 3.960 20 0 GHADLP Fc1ccc(OC[C@@H]2CCC[NH+]2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001198173309 874259762 /nfs/dbraw/zinc/25/97/62/874259762.db2.gz CEUSDEFCAOSFIU-UPVQGACJSA-N 2 2 398.522 3.960 20 0 GHADLP Fc1ccc(OC[C@@H]2CCC[NH+]2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001198173309 874259774 /nfs/dbraw/zinc/25/97/74/874259774.db2.gz CEUSDEFCAOSFIU-UPVQGACJSA-N 2 2 398.522 3.960 20 0 GHADLP CO[C@H](C)c1nc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000177510515 882810101 /nfs/dbraw/zinc/81/01/01/882810101.db2.gz NNZPPYVITBRPMC-IXDOHACOSA-N 2 2 381.586 3.562 20 0 GHADLP CO[C@H](C)c1nc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000177510515 882810117 /nfs/dbraw/zinc/81/01/17/882810117.db2.gz NNZPPYVITBRPMC-IXDOHACOSA-N 2 2 381.586 3.562 20 0 GHADLP CC[NH+](CC)[C@H](C[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000449059382 874395354 /nfs/dbraw/zinc/39/53/54/874395354.db2.gz ABUVHAAHRINTJS-PGRDOPGGSA-N 2 2 388.577 3.866 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc(CCc2ccccc2)s1 ZINC000449052248 874425043 /nfs/dbraw/zinc/42/50/43/874425043.db2.gz YUGJWDOTUPZEAM-NRSPTQNISA-N 2 2 385.577 3.612 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cnc(CCc2ccccc2)s1 ZINC000449052248 874425048 /nfs/dbraw/zinc/42/50/48/874425048.db2.gz YUGJWDOTUPZEAM-NRSPTQNISA-N 2 2 385.577 3.612 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2F)[C@H](C)C1 ZINC000449136391 874521037 /nfs/dbraw/zinc/52/10/37/874521037.db2.gz AZYXNJZFRGLCPQ-PBHICJAKSA-N 2 2 387.337 3.815 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2F)[C@H](C)C1 ZINC000449136391 874521041 /nfs/dbraw/zinc/52/10/41/874521041.db2.gz AZYXNJZFRGLCPQ-PBHICJAKSA-N 2 2 387.337 3.815 20 0 GHADLP O[C@]1(C[NH2+]Cc2cnc(-c3ccccc3F)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000449164943 874562053 /nfs/dbraw/zinc/56/20/53/874562053.db2.gz RYRTWHFUFIEFQB-QFIPXVFZSA-N 2 2 397.519 3.676 20 0 GHADLP O[C@]1(C[NH2+]Cc2cnc(-c3ccccc3F)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000449164943 874562061 /nfs/dbraw/zinc/56/20/61/874562061.db2.gz RYRTWHFUFIEFQB-QFIPXVFZSA-N 2 2 397.519 3.676 20 0 GHADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464836248 874570371 /nfs/dbraw/zinc/57/03/71/874570371.db2.gz JQQOYOUJKSAJLL-WIYYLYMNSA-N 2 2 399.966 3.799 20 0 GHADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464836248 874570378 /nfs/dbraw/zinc/57/03/78/874570378.db2.gz JQQOYOUJKSAJLL-WIYYLYMNSA-N 2 2 399.966 3.799 20 0 GHADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464836248 874570383 /nfs/dbraw/zinc/57/03/83/874570383.db2.gz JQQOYOUJKSAJLL-WIYYLYMNSA-N 2 2 399.966 3.799 20 0 GHADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464836248 874570388 /nfs/dbraw/zinc/57/03/88/874570388.db2.gz JQQOYOUJKSAJLL-WIYYLYMNSA-N 2 2 399.966 3.799 20 0 GHADLP O[C@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1)c1cccc(OC(F)F)c1 ZINC000770710013 874846101 /nfs/dbraw/zinc/84/61/01/874846101.db2.gz KOFCBUGLRNXBME-HXUWFJFHSA-N 2 2 387.430 3.720 20 0 GHADLP O[C@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1)c1cccc(OC(F)F)c1 ZINC000770710013 874846109 /nfs/dbraw/zinc/84/61/09/874846109.db2.gz KOFCBUGLRNXBME-HXUWFJFHSA-N 2 2 387.430 3.720 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3cc4c(cc(C)cc4C)[nH]3)C2)CC1 ZINC000449494578 874978912 /nfs/dbraw/zinc/97/89/12/874978912.db2.gz GXJJHLIJPMIBOV-OAQYLSRUSA-N 2 2 396.579 3.551 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3cc4c(cc(C)cc4C)[nH]3)C2)CC1 ZINC000449494578 874978916 /nfs/dbraw/zinc/97/89/16/874978916.db2.gz GXJJHLIJPMIBOV-OAQYLSRUSA-N 2 2 396.579 3.551 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3cc4c(cc(C)cc4C)[nH]3)C2)CC1 ZINC000449494578 874978928 /nfs/dbraw/zinc/97/89/28/874978928.db2.gz GXJJHLIJPMIBOV-OAQYLSRUSA-N 2 2 396.579 3.551 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3cc4c(cc(C)cc4C)[nH]3)C2)CC1 ZINC000449494578 874978938 /nfs/dbraw/zinc/97/89/38/874978938.db2.gz GXJJHLIJPMIBOV-OAQYLSRUSA-N 2 2 396.579 3.551 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542133277 875033588 /nfs/dbraw/zinc/03/35/88/875033588.db2.gz SOBKIACCAIZFCS-HXUWFJFHSA-N 2 2 382.552 3.813 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H]3CC[NH+]3C3CCCC3)n2)C1 ZINC000528879046 875206826 /nfs/dbraw/zinc/20/68/26/875206826.db2.gz VIJJRXFEULGFAA-YJBOKZPZSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H]3CC[NH+]3C3CCCC3)n2)C1 ZINC000528879046 875206838 /nfs/dbraw/zinc/20/68/38/875206838.db2.gz VIJJRXFEULGFAA-YJBOKZPZSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)n2)C1 ZINC000528879046 875206850 /nfs/dbraw/zinc/20/68/50/875206850.db2.gz VIJJRXFEULGFAA-YJBOKZPZSA-N 2 2 391.585 3.513 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccsc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000528895381 875232587 /nfs/dbraw/zinc/23/25/87/875232587.db2.gz NWPKACHLLWYHDJ-WOZUAGRISA-N 2 2 389.609 3.647 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccsc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000528895381 875232596 /nfs/dbraw/zinc/23/25/96/875232596.db2.gz NWPKACHLLWYHDJ-WOZUAGRISA-N 2 2 389.609 3.647 20 0 GHADLP C[NH2+]CCCC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000178758255 882917853 /nfs/dbraw/zinc/91/78/53/882917853.db2.gz HNPHZVMSGOCOJS-QFIPXVFZSA-N 2 2 385.939 3.573 20 0 GHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N1c2ccccc2CCc2ccccc21 ZINC000193424095 875394506 /nfs/dbraw/zinc/39/45/06/875394506.db2.gz HKCVKYUPEHHVMA-UHFFFAOYSA-N 2 2 386.499 3.984 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCCC[NH+]3Cc3ccccc3)sc2C1 ZINC000542389012 875490753 /nfs/dbraw/zinc/49/07/53/875490753.db2.gz AZUJXJNWUZTLEE-IBGZPJMESA-N 2 2 398.576 3.903 20 0 GHADLP CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3CCCC[NH+]3Cc3ccccc3)sc2C1 ZINC000542389012 875490757 /nfs/dbraw/zinc/49/07/57/875490757.db2.gz AZUJXJNWUZTLEE-IBGZPJMESA-N 2 2 398.576 3.903 20 0 GHADLP CC(C)[NH+]1CCc2nc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)sc2C1 ZINC000542389012 875490762 /nfs/dbraw/zinc/49/07/62/875490762.db2.gz AZUJXJNWUZTLEE-IBGZPJMESA-N 2 2 398.576 3.903 20 0 GHADLP CC(C)[NH+]1CCc2nc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)sc2C1 ZINC000542389012 875490768 /nfs/dbraw/zinc/49/07/68/875490768.db2.gz AZUJXJNWUZTLEE-IBGZPJMESA-N 2 2 398.576 3.903 20 0 GHADLP C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000460490543 882934932 /nfs/dbraw/zinc/93/49/32/882934932.db2.gz MSTHOTADJSJGMU-IYWMVGAKSA-N 2 2 399.579 3.573 20 0 GHADLP C[C@@H](c1cccc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c1)[NH+]1CCOCC1 ZINC000449846239 875510425 /nfs/dbraw/zinc/51/04/25/875510425.db2.gz WTVWLSAGCMBKRM-PGRDOPGGSA-N 2 2 385.552 3.815 20 0 GHADLP CCO[C@H](C)c1nc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000120642629 876188786 /nfs/dbraw/zinc/18/87/86/876188786.db2.gz FNVUJWPRGZMYFF-IXDOHACOSA-N 2 2 381.586 3.562 20 0 GHADLP CCO[C@H](C)c1nc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000120642629 876188792 /nfs/dbraw/zinc/18/87/92/876188792.db2.gz FNVUJWPRGZMYFF-IXDOHACOSA-N 2 2 381.586 3.562 20 0 GHADLP COC[C@@]1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)COc2ccccc2C1 ZINC000529669201 876491942 /nfs/dbraw/zinc/49/19/42/876491942.db2.gz RCFWVSCROJHOLW-LADGPHEKSA-N 2 2 392.543 3.794 20 0 GHADLP COC[C@@]1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)COc2ccccc2C1 ZINC000529669201 876491948 /nfs/dbraw/zinc/49/19/48/876491948.db2.gz RCFWVSCROJHOLW-LADGPHEKSA-N 2 2 392.543 3.794 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3c4ccccc4CCc4ccccc43)CC[C@@H]21 ZINC000193445798 876529613 /nfs/dbraw/zinc/52/96/13/876529613.db2.gz YDOWNIQNGILTCK-YADHBBJMSA-N 2 2 389.543 3.866 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3c4ccccc4CCc4ccccc43)CC[C@@H]21 ZINC000193445798 876529633 /nfs/dbraw/zinc/52/96/33/876529633.db2.gz YDOWNIQNGILTCK-YADHBBJMSA-N 2 2 389.543 3.866 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3c4ccccc4CCc4ccccc43)CC[C@@H]21 ZINC000193445798 876529645 /nfs/dbraw/zinc/52/96/45/876529645.db2.gz YDOWNIQNGILTCK-YADHBBJMSA-N 2 2 389.543 3.866 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3c4ccccc4CCc4ccccc43)CC[C@@H]21 ZINC000193445798 876529657 /nfs/dbraw/zinc/52/96/57/876529657.db2.gz YDOWNIQNGILTCK-YADHBBJMSA-N 2 2 389.543 3.866 20 0 GHADLP Oc1ccc(Br)c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192924154 883047980 /nfs/dbraw/zinc/04/79/80/883047980.db2.gz FBNXYEHGRKEFIQ-MRXNPFEDSA-N 2 2 375.310 3.766 20 0 GHADLP Oc1ccc(Br)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192924154 883048000 /nfs/dbraw/zinc/04/80/00/883048000.db2.gz FBNXYEHGRKEFIQ-MRXNPFEDSA-N 2 2 375.310 3.766 20 0 GHADLP CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]Cc1ccc(-n3cc[nH+]c3)c(F)c1)C2 ZINC000850403028 876882583 /nfs/dbraw/zinc/88/25/83/876882583.db2.gz BGQWEIPDYJYISX-UHFFFAOYSA-N 2 2 386.471 3.501 20 0 GHADLP CC(C)c1ccc(C2(O)CCC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)cc1 ZINC000850556227 877023147 /nfs/dbraw/zinc/02/31/47/877023147.db2.gz DTSXANUFMJCIBO-RZMWZJFBSA-N 2 2 386.580 3.783 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000174779689 877242296 /nfs/dbraw/zinc/24/22/96/877242296.db2.gz NPBOOFFSLJORQB-OFNKIYASSA-N 2 2 393.575 3.897 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000174779689 877242310 /nfs/dbraw/zinc/24/23/10/877242310.db2.gz NPBOOFFSLJORQB-OFNKIYASSA-N 2 2 393.575 3.897 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)C(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000174779689 877242325 /nfs/dbraw/zinc/24/23/25/877242325.db2.gz NPBOOFFSLJORQB-OFNKIYASSA-N 2 2 393.575 3.897 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)C(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000174779689 877242338 /nfs/dbraw/zinc/24/23/38/877242338.db2.gz NPBOOFFSLJORQB-OFNKIYASSA-N 2 2 393.575 3.897 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000530284010 877406943 /nfs/dbraw/zinc/40/69/43/877406943.db2.gz KIRFWAVFSFZPDA-IBGZPJMESA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000530284010 877406951 /nfs/dbraw/zinc/40/69/51/877406951.db2.gz KIRFWAVFSFZPDA-IBGZPJMESA-N 2 2 394.563 3.761 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000137128981 877513274 /nfs/dbraw/zinc/51/32/74/877513274.db2.gz FPFDVNKLCLYTGO-WOJBJXKFSA-N 2 2 397.567 3.593 20 0 GHADLP Cc1c([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cnn1C(C)(C)C ZINC000530328785 877559669 /nfs/dbraw/zinc/55/96/69/877559669.db2.gz QNZHWBRNZMZVPM-GCJKJVERSA-N 2 2 383.584 3.586 20 0 GHADLP O=C1[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000530438757 877820190 /nfs/dbraw/zinc/82/01/90/877820190.db2.gz YKTSXTXEHQCZOO-KRWDZBQOSA-N 2 2 382.335 3.563 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000245575201 878133630 /nfs/dbraw/zinc/13/36/30/878133630.db2.gz HOJPKOQBWNDZOF-JMUQELJHSA-N 2 2 380.536 3.814 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000245575201 878133641 /nfs/dbraw/zinc/13/36/41/878133641.db2.gz HOJPKOQBWNDZOF-JMUQELJHSA-N 2 2 380.536 3.814 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534188 878154491 /nfs/dbraw/zinc/15/44/91/878154491.db2.gz MXTCDWBUMYPBKB-MJGOQNOKSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534188 878154501 /nfs/dbraw/zinc/15/45/01/878154501.db2.gz MXTCDWBUMYPBKB-MJGOQNOKSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534188 878154509 /nfs/dbraw/zinc/15/45/09/878154509.db2.gz MXTCDWBUMYPBKB-MJGOQNOKSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534188 878154519 /nfs/dbraw/zinc/15/45/19/878154519.db2.gz MXTCDWBUMYPBKB-MJGOQNOKSA-N 2 2 377.960 3.667 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC[C@H]21 ZINC000245737443 878504434 /nfs/dbraw/zinc/50/44/34/878504434.db2.gz FVBDCPIKASUDLX-NFBKMPQASA-N 2 2 387.531 3.850 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC[C@H]21 ZINC000245737443 878504452 /nfs/dbraw/zinc/50/44/52/878504452.db2.gz FVBDCPIKASUDLX-NFBKMPQASA-N 2 2 387.531 3.850 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC[C@H]21 ZINC000245737443 878504462 /nfs/dbraw/zinc/50/44/62/878504462.db2.gz FVBDCPIKASUDLX-NFBKMPQASA-N 2 2 387.531 3.850 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC[C@H]21 ZINC000245737443 878504475 /nfs/dbraw/zinc/50/44/75/878504475.db2.gz FVBDCPIKASUDLX-NFBKMPQASA-N 2 2 387.531 3.850 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001183238994 912353404 /nfs/dbraw/zinc/35/34/04/912353404.db2.gz RCRMWRQZYGAEOD-KSSFIOAISA-N 2 2 394.357 3.773 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001183238994 912353423 /nfs/dbraw/zinc/35/34/23/912353423.db2.gz RCRMWRQZYGAEOD-KSSFIOAISA-N 2 2 394.357 3.773 20 0 GHADLP O[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(C(F)(F)F)c1 ZINC000180172284 878603477 /nfs/dbraw/zinc/60/34/77/878603477.db2.gz YZXIEKKLTXIFJW-HNNXBMFYSA-N 2 2 384.364 3.745 20 0 GHADLP Cc1ccc2c(C)cc(N3CCC(OCC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)[nH+]c2c1 ZINC000460946066 878836103 /nfs/dbraw/zinc/83/61/03/878836103.db2.gz CTRHHNZRYJVYAT-WOJBJXKFSA-N 2 2 397.563 3.946 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000246177746 879113640 /nfs/dbraw/zinc/11/36/40/879113640.db2.gz CYVUHRXAKYFREY-KOUHRCEDSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000246177746 879113647 /nfs/dbraw/zinc/11/36/47/879113647.db2.gz CYVUHRXAKYFREY-KOUHRCEDSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000178425522 879116081 /nfs/dbraw/zinc/11/60/81/879116081.db2.gz GPZCADAIKVTKFS-UZLBHIALSA-N 2 2 388.353 3.887 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000178425522 879116091 /nfs/dbraw/zinc/11/60/91/879116091.db2.gz GPZCADAIKVTKFS-UZLBHIALSA-N 2 2 388.353 3.887 20 0 GHADLP Cc1onc(-c2ccccc2)c1-c1nnc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000531188879 879278606 /nfs/dbraw/zinc/27/86/06/879278606.db2.gz UKUUCQDIRAIZQC-UHFFFAOYSA-N 2 2 390.447 3.803 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)[C@@H](C)C1 ZINC000246340315 879426382 /nfs/dbraw/zinc/42/63/82/879426382.db2.gz GVZQAPYPKAAODV-SMDDNHRTSA-N 2 2 377.273 3.870 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)[C@@H](C)C1 ZINC000246340315 879426391 /nfs/dbraw/zinc/42/63/91/879426391.db2.gz GVZQAPYPKAAODV-SMDDNHRTSA-N 2 2 377.273 3.870 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(Cl)cc1Cl ZINC000518979756 879485797 /nfs/dbraw/zinc/48/57/97/879485797.db2.gz RNBGVXKWPFXWLX-NJSLBKSFSA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(Cl)cc1Cl ZINC000518979756 879485807 /nfs/dbraw/zinc/48/58/07/879485807.db2.gz RNBGVXKWPFXWLX-NJSLBKSFSA-N 2 2 384.351 3.635 20 0 GHADLP COCc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)ccc1OC ZINC000854224527 879643612 /nfs/dbraw/zinc/64/36/12/879643612.db2.gz NVZSPTRQXPKXSY-KNXBSLHKSA-N 2 2 384.520 3.647 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246965005 879866137 /nfs/dbraw/zinc/86/61/37/879866137.db2.gz VDVIBUMJAYOAFD-SLYNCCJLSA-N 2 2 395.547 3.901 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246965005 879866152 /nfs/dbraw/zinc/86/61/52/879866152.db2.gz VDVIBUMJAYOAFD-SLYNCCJLSA-N 2 2 395.547 3.901 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246965005 879866167 /nfs/dbraw/zinc/86/61/67/879866167.db2.gz VDVIBUMJAYOAFD-SLYNCCJLSA-N 2 2 395.547 3.901 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246965005 879866176 /nfs/dbraw/zinc/86/61/76/879866176.db2.gz VDVIBUMJAYOAFD-SLYNCCJLSA-N 2 2 395.547 3.901 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000246992894 879876651 /nfs/dbraw/zinc/87/66/51/879876651.db2.gz JLSYDCPOXBQGLY-PIPMEXSNSA-N 2 2 384.955 3.814 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000246992894 879876658 /nfs/dbraw/zinc/87/66/58/879876658.db2.gz JLSYDCPOXBQGLY-PIPMEXSNSA-N 2 2 384.955 3.814 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1nnnn1-c1ccccc1 ZINC000247466248 880006069 /nfs/dbraw/zinc/00/60/69/880006069.db2.gz RIOHXHINLWYLMM-RTBURBONSA-N 2 2 390.535 3.888 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1nnnn1-c1ccccc1 ZINC000247466248 880006081 /nfs/dbraw/zinc/00/60/81/880006081.db2.gz RIOHXHINLWYLMM-RTBURBONSA-N 2 2 390.535 3.888 20 0 GHADLP CCC1CCC(c2ccc(-c3noc([C@@H](N)C[NH+]4CCC([NH3+])CC4)n3)cc2)CC1 ZINC001212314833 880030651 /nfs/dbraw/zinc/03/06/51/880030651.db2.gz KRVUYOHMNWOTBT-BPZDKFOGSA-N 2 2 397.567 3.843 20 0 GHADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000183608114 880126702 /nfs/dbraw/zinc/12/67/02/880126702.db2.gz IEJHUSCOEJGKIK-QZTJIDSGSA-N 2 2 392.503 3.524 20 0 GHADLP Cc1ccc2ncc(C[NH+](C)Cc3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)n2c1 ZINC001183491110 912545125 /nfs/dbraw/zinc/54/51/25/912545125.db2.gz OHLHOASXYQUJDM-BGYRXZFFSA-N 2 2 392.547 3.884 20 0 GHADLP Cc1ccc2ncc(C[NH+](C)Cc3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)n2c1 ZINC001183491110 912545154 /nfs/dbraw/zinc/54/51/54/912545154.db2.gz OHLHOASXYQUJDM-BGYRXZFFSA-N 2 2 392.547 3.884 20 0 GHADLP Cc1ccc2ncc(C[N@@H+](C)Cc3ccc(C[NH+]4C[C@@H](C)O[C@@H](C)C4)cc3)n2c1 ZINC001183491110 912545167 /nfs/dbraw/zinc/54/51/67/912545167.db2.gz OHLHOASXYQUJDM-BGYRXZFFSA-N 2 2 392.547 3.884 20 0 GHADLP Cc1ccc2ncc(C[N@H+](C)Cc3ccc(C[NH+]4C[C@@H](C)O[C@@H](C)C4)cc3)n2c1 ZINC001183491110 912545199 /nfs/dbraw/zinc/54/51/99/912545199.db2.gz OHLHOASXYQUJDM-BGYRXZFFSA-N 2 2 392.547 3.884 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453101321 880466112 /nfs/dbraw/zinc/46/61/12/880466112.db2.gz YUUWBRWKYXJPTQ-QRVBRYPASA-N 2 2 392.469 3.978 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453101321 880466115 /nfs/dbraw/zinc/46/61/15/880466115.db2.gz YUUWBRWKYXJPTQ-QRVBRYPASA-N 2 2 392.469 3.978 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]Cc1ccccc1N1CCOCC1)C1CC1 ZINC000185223610 880512305 /nfs/dbraw/zinc/51/23/05/880512305.db2.gz LZFUIMNQTFYEBZ-XMMPIXPASA-N 2 2 379.548 3.523 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]Cc1ccccc1N1CCOCC1)C1CC1 ZINC000185223610 880512313 /nfs/dbraw/zinc/51/23/13/880512313.db2.gz LZFUIMNQTFYEBZ-XMMPIXPASA-N 2 2 379.548 3.523 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc(-c2ccccc2)nn1C ZINC000453168320 880569349 /nfs/dbraw/zinc/56/93/49/880569349.db2.gz FCRVOCKPJNCKPC-XLIONFOSSA-N 2 2 390.535 3.796 20 0 GHADLP CN(Cc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000185902831 880726108 /nfs/dbraw/zinc/72/61/08/880726108.db2.gz TWYVDZRKXLNSBL-YADHBBJMSA-N 2 2 386.584 3.507 20 0 GHADLP CN(Cc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000185902831 880726116 /nfs/dbraw/zinc/72/61/16/880726116.db2.gz TWYVDZRKXLNSBL-YADHBBJMSA-N 2 2 386.584 3.507 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H](OC(C)C)C3(C)C)CC2)cc1 ZINC000453331539 880764060 /nfs/dbraw/zinc/76/40/60/880764060.db2.gz UINDMBUZNJSNFY-YADHBBJMSA-N 2 2 387.568 3.791 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000531962779 880827784 /nfs/dbraw/zinc/82/77/84/880827784.db2.gz MVYAPEINNPWSLO-HOTGVXAUSA-N 2 2 381.948 3.776 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000792259110 881021950 /nfs/dbraw/zinc/02/19/50/881021950.db2.gz JJFPRZLYYPFMOY-QZTJIDSGSA-N 2 2 384.524 3.916 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000792259110 881021965 /nfs/dbraw/zinc/02/19/65/881021965.db2.gz JJFPRZLYYPFMOY-QZTJIDSGSA-N 2 2 384.524 3.916 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000187013286 881049605 /nfs/dbraw/zinc/04/96/05/881049605.db2.gz UHZUXEDSHMZDQC-NQIIRXRSSA-N 2 2 383.536 3.505 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000187013286 881049622 /nfs/dbraw/zinc/04/96/22/881049622.db2.gz UHZUXEDSHMZDQC-NQIIRXRSSA-N 2 2 383.536 3.505 20 0 GHADLP CC[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(OC)cc2)[C@@H]([NH3+])c2ccc(OC)cc2)CCO1 ZINC001170181197 881192405 /nfs/dbraw/zinc/19/24/05/881192405.db2.gz FXEHCRYCUNRDCV-VKGYTVAMSA-N 2 2 384.520 3.992 20 0 GHADLP COCCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)s1 ZINC000181594336 883165044 /nfs/dbraw/zinc/16/50/44/883165044.db2.gz UCKHFUURVURQSZ-WBVHZDCISA-N 2 2 388.581 3.912 20 0 GHADLP CS(=O)(=O)c1cccc([C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccc(Cl)cc2)c1 ZINC000643458216 912710460 /nfs/dbraw/zinc/71/04/60/912710460.db2.gz FEZZVMMOWMBNNI-QUCCMNQESA-N 2 2 392.952 3.565 20 0 GHADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1OC(F)F ZINC000195652412 883541293 /nfs/dbraw/zinc/54/12/93/883541293.db2.gz UAAFOUIWNKJKGQ-QUCCMNQESA-N 2 2 390.474 3.748 20 0 GHADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1OC(F)F ZINC000195652412 883541300 /nfs/dbraw/zinc/54/13/00/883541300.db2.gz UAAFOUIWNKJKGQ-QUCCMNQESA-N 2 2 390.474 3.748 20 0 GHADLP COc1ccc2cc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]3CCc4ccccc4C3)ccc2c1 ZINC000551272871 883584771 /nfs/dbraw/zinc/58/47/71/883584771.db2.gz PJRQJXBZAYXPHS-HOYKHHGWSA-N 2 2 390.527 3.918 20 0 GHADLP COc1ccc2cc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]3CCc4ccccc4C3)ccc2c1 ZINC000551272871 883584775 /nfs/dbraw/zinc/58/47/75/883584775.db2.gz PJRQJXBZAYXPHS-HOYKHHGWSA-N 2 2 390.527 3.918 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(Br)cs1 ZINC000193968235 883606198 /nfs/dbraw/zinc/60/61/98/883606198.db2.gz ANWZFWAHOBVIKL-SUMWQHHRSA-N 2 2 395.366 3.580 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(Br)cs1 ZINC000193968235 883606204 /nfs/dbraw/zinc/60/62/04/883606204.db2.gz ANWZFWAHOBVIKL-SUMWQHHRSA-N 2 2 395.366 3.580 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CCOCC1)c1ccccc1 ZINC000194050268 883650749 /nfs/dbraw/zinc/65/07/49/883650749.db2.gz GCFJYSJAMJHQPT-BDKRGJGYSA-N 2 2 384.564 3.824 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H](CNC1CC[NH+](Cc2ccccn2)CC1)C1CC1 ZINC000186878101 883726528 /nfs/dbraw/zinc/72/65/28/883726528.db2.gz ZMIBUVTYOCWXNC-DEOSSOPVSA-N 2 2 378.564 3.546 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H](CNC1CC[NH+](Cc2ccccn2)CC1)C1CC1 ZINC000186878101 883726541 /nfs/dbraw/zinc/72/65/41/883726541.db2.gz ZMIBUVTYOCWXNC-DEOSSOPVSA-N 2 2 378.564 3.546 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)C2 ZINC000475788798 883824412 /nfs/dbraw/zinc/82/44/12/883824412.db2.gz CDDFYYKHTHFHSM-RBUKOAKNSA-N 2 2 386.584 3.799 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)C2 ZINC000475788798 883824432 /nfs/dbraw/zinc/82/44/32/883824432.db2.gz CDDFYYKHTHFHSM-RBUKOAKNSA-N 2 2 386.584 3.799 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)CC2 ZINC000475788798 883824453 /nfs/dbraw/zinc/82/44/53/883824453.db2.gz CDDFYYKHTHFHSM-RBUKOAKNSA-N 2 2 386.584 3.799 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)CC2 ZINC000475788798 883824475 /nfs/dbraw/zinc/82/44/75/883824475.db2.gz CDDFYYKHTHFHSM-RBUKOAKNSA-N 2 2 386.584 3.799 20 0 GHADLP COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000551418633 883840289 /nfs/dbraw/zinc/84/02/89/883840289.db2.gz OKAUAAQBDPWUJA-GCJKJVERSA-N 2 2 377.488 3.691 20 0 GHADLP O[C@](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)(c1ccc(Cl)cc1)C(F)(F)F ZINC000777124078 884021021 /nfs/dbraw/zinc/02/10/21/884021021.db2.gz VGFUJTUCXDEZLT-GOSISDBHSA-N 2 2 399.844 3.744 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(OC(F)(F)F)c1 ZINC000556240380 884237625 /nfs/dbraw/zinc/23/76/25/884237625.db2.gz NTGCFFUIWLAHCF-HNAYVOBHSA-N 2 2 394.437 3.655 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(OC(F)(F)F)c1 ZINC000556240380 884237647 /nfs/dbraw/zinc/23/76/47/884237647.db2.gz NTGCFFUIWLAHCF-HNAYVOBHSA-N 2 2 394.437 3.655 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)C2 ZINC000476239759 884308922 /nfs/dbraw/zinc/30/89/22/884308922.db2.gz RCXOELJKPVAXFK-PKOBYXMFSA-N 2 2 382.552 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)C2 ZINC000476239759 884308943 /nfs/dbraw/zinc/30/89/43/884308943.db2.gz RCXOELJKPVAXFK-PKOBYXMFSA-N 2 2 382.552 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)CC2 ZINC000476239759 884308963 /nfs/dbraw/zinc/30/89/63/884308963.db2.gz RCXOELJKPVAXFK-PKOBYXMFSA-N 2 2 382.552 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)CC2 ZINC000476239759 884309006 /nfs/dbraw/zinc/30/90/06/884309006.db2.gz RCXOELJKPVAXFK-PKOBYXMFSA-N 2 2 382.552 3.665 20 0 GHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc2c(c1)OCCO2 ZINC000537488278 884599048 /nfs/dbraw/zinc/59/90/48/884599048.db2.gz XRUVUOSRSOHITQ-MRXNPFEDSA-N 2 2 382.508 3.556 20 0 GHADLP CCc1nc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cs1 ZINC000105464605 884788755 /nfs/dbraw/zinc/78/87/55/884788755.db2.gz LOQVKILDRXPMLK-HNNXBMFYSA-N 2 2 376.545 3.837 20 0 GHADLP COc1cc(OC)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001183886774 912873997 /nfs/dbraw/zinc/87/39/97/912873997.db2.gz VKMBCIYBQKILRN-QUCCMNQESA-N 2 2 384.495 3.797 20 0 GHADLP COc1cc(OC)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001183886774 912874005 /nfs/dbraw/zinc/87/40/05/912874005.db2.gz VKMBCIYBQKILRN-QUCCMNQESA-N 2 2 384.495 3.797 20 0 GHADLP COc1cc(OC)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001183886774 912874023 /nfs/dbraw/zinc/87/40/23/912874023.db2.gz VKMBCIYBQKILRN-QUCCMNQESA-N 2 2 384.495 3.797 20 0 GHADLP COc1cc(OC)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001183886774 912874041 /nfs/dbraw/zinc/87/40/41/912874041.db2.gz VKMBCIYBQKILRN-QUCCMNQESA-N 2 2 384.495 3.797 20 0 GHADLP CN(C(=O)N[C@@H]1CCc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000666414376 884997739 /nfs/dbraw/zinc/99/77/39/884997739.db2.gz WVVUDTVGFLDGCG-DNVJHFABSA-N 2 2 398.595 3.653 20 0 GHADLP CN(C(=O)N[C@@H]1CCc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000666414376 884997755 /nfs/dbraw/zinc/99/77/55/884997755.db2.gz WVVUDTVGFLDGCG-DNVJHFABSA-N 2 2 398.595 3.653 20 0 GHADLP C[NH+](C)CCOc1cccc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)c1 ZINC000762057926 885301832 /nfs/dbraw/zinc/30/18/32/885301832.db2.gz LCJMNIMWJOSWHD-UHFFFAOYSA-N 2 2 375.432 3.530 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1CC[C@@](C)(Cc2ccccc2)C1=O ZINC000762077922 885348588 /nfs/dbraw/zinc/34/85/88/885348588.db2.gz UJXOTKOLXTUMGR-QHCPKHFHSA-N 2 2 382.552 3.596 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1CC[C@@](C)(Cc2ccccc2)C1=O ZINC000762077922 885348603 /nfs/dbraw/zinc/34/86/03/885348603.db2.gz UJXOTKOLXTUMGR-QHCPKHFHSA-N 2 2 382.552 3.596 20 0 GHADLP CCCC[N@H+](C)CC1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000122029189 885461716 /nfs/dbraw/zinc/46/17/16/885461716.db2.gz GFLRSOBQCTXQLM-UHFFFAOYSA-N 2 2 397.567 3.585 20 0 GHADLP CCCC[N@@H+](C)CC1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000122029189 885461725 /nfs/dbraw/zinc/46/17/25/885461725.db2.gz GFLRSOBQCTXQLM-UHFFFAOYSA-N 2 2 397.567 3.585 20 0 GHADLP C[C@H]([NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532521944 885882028 /nfs/dbraw/zinc/88/20/28/885882028.db2.gz AGZZBYBCSHQLBZ-MZLICYQSSA-N 2 2 390.531 3.812 20 0 GHADLP C[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000532587231 886188721 /nfs/dbraw/zinc/18/87/21/886188721.db2.gz XHUOYKVOTOVGLN-SFHVURJKSA-N 2 2 395.572 3.621 20 0 GHADLP C[C@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000532587231 886188735 /nfs/dbraw/zinc/18/87/35/886188735.db2.gz XHUOYKVOTOVGLN-SFHVURJKSA-N 2 2 395.572 3.621 20 0 GHADLP Cc1noc([C@H]2CCCC[N@@H+]2CCCC[NH+]2CCCC[C@H]2c2nc(C)no2)n1 ZINC000556879686 886468787 /nfs/dbraw/zinc/46/87/87/886468787.db2.gz SIQCZXSQTLNCAB-HDICACEKSA-N 2 2 388.516 3.604 20 0 GHADLP Cc1noc([C@H]2CCCC[N@H+]2CCCC[NH+]2CCCC[C@H]2c2nc(C)no2)n1 ZINC000556879686 886468797 /nfs/dbraw/zinc/46/87/97/886468797.db2.gz SIQCZXSQTLNCAB-HDICACEKSA-N 2 2 388.516 3.604 20 0 GHADLP Cc1noc([C@H]2CCCC[NH+]2CCCC[N@@H+]2CCCC[C@H]2c2nc(C)no2)n1 ZINC000556879686 886468808 /nfs/dbraw/zinc/46/88/08/886468808.db2.gz SIQCZXSQTLNCAB-HDICACEKSA-N 2 2 388.516 3.604 20 0 GHADLP Cc1noc([C@H]2CCCC[NH+]2CCCC[N@H+]2CCCC[C@H]2c2nc(C)no2)n1 ZINC000556879686 886468815 /nfs/dbraw/zinc/46/88/15/886468815.db2.gz SIQCZXSQTLNCAB-HDICACEKSA-N 2 2 388.516 3.604 20 0 GHADLP FC(F)(F)C1CC[NH+](CC2(C[NH+]3CCC(C(F)(F)F)CC3)COC2)CC1 ZINC000119446234 886645596 /nfs/dbraw/zinc/64/55/96/886645596.db2.gz UIKFODXMVJYVBG-UHFFFAOYSA-N 2 2 388.396 3.552 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000123785382 886671383 /nfs/dbraw/zinc/67/13/83/886671383.db2.gz QEHNIMZSWAFSBY-CYBMUJFWSA-N 2 2 381.307 3.620 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000123785382 886671388 /nfs/dbraw/zinc/67/13/88/886671388.db2.gz QEHNIMZSWAFSBY-CYBMUJFWSA-N 2 2 381.307 3.620 20 0 GHADLP C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000915493044 887097512 /nfs/dbraw/zinc/09/75/12/887097512.db2.gz NFOBLRSLVAVUBU-AUSIDOKSSA-N 2 2 398.595 3.523 20 0 GHADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)cc(Br)c1 ZINC000655756116 887223596 /nfs/dbraw/zinc/22/35/96/887223596.db2.gz OIGIVLSTOQTZOC-MSOLQXFVSA-N 2 2 385.321 3.882 20 0 GHADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(SC(F)(F)F)cc1 ZINC001137955074 887310962 /nfs/dbraw/zinc/31/09/62/887310962.db2.gz FOOIJYGYXHWBPB-UHFFFAOYSA-N 2 2 378.460 3.615 20 0 GHADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(SC(F)(F)F)cc1 ZINC001137955074 887310970 /nfs/dbraw/zinc/31/09/70/887310970.db2.gz FOOIJYGYXHWBPB-UHFFFAOYSA-N 2 2 378.460 3.615 20 0 GHADLP COc1cc(Br)ccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655757588 887414579 /nfs/dbraw/zinc/41/45/79/887414579.db2.gz JHCKGGZQEVGUIE-RHSMWYFYSA-N 2 2 397.357 3.752 20 0 GHADLP C[N@H+](C/C=C\c1ccc(OCc2ccccc2)cc1)C1CC[NH+](CCO)CC1 ZINC000459333912 887430779 /nfs/dbraw/zinc/43/07/79/887430779.db2.gz JVTWNQLAOOJRNR-YVMONPNESA-N 2 2 380.532 3.667 20 0 GHADLP C[N@@H+](C/C=C\c1ccc(OCc2ccccc2)cc1)C1CC[NH+](CCO)CC1 ZINC000459333912 887430788 /nfs/dbraw/zinc/43/07/88/887430788.db2.gz JVTWNQLAOOJRNR-YVMONPNESA-N 2 2 380.532 3.667 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809588459 887597776 /nfs/dbraw/zinc/59/77/76/887597776.db2.gz ZMVLZYOAYOFQEX-OAHLLOKOSA-N 2 2 385.339 3.574 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809588459 887597781 /nfs/dbraw/zinc/59/77/81/887597781.db2.gz ZMVLZYOAYOFQEX-OAHLLOKOSA-N 2 2 385.339 3.574 20 0 GHADLP CNc1ccc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c[nH+]1 ZINC001170596122 888150327 /nfs/dbraw/zinc/15/03/27/888150327.db2.gz MRABQXIGKSLVIJ-QFIPXVFZSA-N 2 2 376.504 3.599 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(N2CCCCC2=O)cc1 ZINC000810260164 888323832 /nfs/dbraw/zinc/32/38/32/888323832.db2.gz AFJCYOLANLYHIG-GOSISDBHSA-N 2 2 378.520 3.918 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1)C[C@H]1CCCCO1 ZINC000503504682 888509938 /nfs/dbraw/zinc/50/99/38/888509938.db2.gz JMNYQZHLYPMTQW-OAQYLSRUSA-N 2 2 384.524 3.761 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1)C[C@H]1CCCCO1 ZINC000503504682 888509945 /nfs/dbraw/zinc/50/99/45/888509945.db2.gz JMNYQZHLYPMTQW-OAQYLSRUSA-N 2 2 384.524 3.761 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1)C[C@H]1CCCCO1 ZINC000503504682 888509953 /nfs/dbraw/zinc/50/99/53/888509953.db2.gz JMNYQZHLYPMTQW-OAQYLSRUSA-N 2 2 384.524 3.761 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1)C[C@H]1CCCCO1 ZINC000503504682 888509960 /nfs/dbraw/zinc/50/99/60/888509960.db2.gz JMNYQZHLYPMTQW-OAQYLSRUSA-N 2 2 384.524 3.761 20 0 GHADLP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000729684858 888593961 /nfs/dbraw/zinc/59/39/61/888593961.db2.gz XZDXIZWBHIMEDG-UXHICEINSA-N 2 2 394.544 3.554 20 0 GHADLP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000729684858 888593969 /nfs/dbraw/zinc/59/39/69/888593969.db2.gz XZDXIZWBHIMEDG-UXHICEINSA-N 2 2 394.544 3.554 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000194834874 888626002 /nfs/dbraw/zinc/62/60/02/888626002.db2.gz WPUJJFOVCCQYDG-PMACEKPBSA-N 2 2 393.934 3.605 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000194834874 888626006 /nfs/dbraw/zinc/62/60/06/888626006.db2.gz WPUJJFOVCCQYDG-PMACEKPBSA-N 2 2 393.934 3.605 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001132404319 888774732 /nfs/dbraw/zinc/77/47/32/888774732.db2.gz CLQQECNXHPQDSE-MRXNPFEDSA-N 2 2 390.478 3.536 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001132404319 888774737 /nfs/dbraw/zinc/77/47/37/888774737.db2.gz CLQQECNXHPQDSE-MRXNPFEDSA-N 2 2 390.478 3.536 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C3CCC3)[C@@H]3CCCO3)CC2)cc1 ZINC000866368306 888850757 /nfs/dbraw/zinc/85/07/57/888850757.db2.gz ZTRBXKMLWGZVJZ-XZOQPEGZSA-N 2 2 385.552 3.547 20 0 GHADLP c1nnc([C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)[nH]1 ZINC000866469089 888896132 /nfs/dbraw/zinc/89/61/32/888896132.db2.gz FWWWTISFCRQZNT-JOCHJYFZSA-N 2 2 375.520 3.786 20 0 GHADLP Cc1cccn2cc(CC(=O)NCC[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000532794954 889004687 /nfs/dbraw/zinc/00/46/87/889004687.db2.gz DNPGVLUZQHQJLV-CTNGQTDRSA-N 2 2 390.531 3.602 20 0 GHADLP Cc1cccn2cc(CC(=O)NCC[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000532794954 889004698 /nfs/dbraw/zinc/00/46/98/889004698.db2.gz DNPGVLUZQHQJLV-CTNGQTDRSA-N 2 2 390.531 3.602 20 0 GHADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000866704807 889013074 /nfs/dbraw/zinc/01/30/74/889013074.db2.gz YGKPYKBJJXTQSY-KRWDZBQOSA-N 2 2 391.865 3.994 20 0 GHADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000866704807 889013087 /nfs/dbraw/zinc/01/30/87/889013087.db2.gz YGKPYKBJJXTQSY-KRWDZBQOSA-N 2 2 391.865 3.994 20 0 GHADLP Cc1cnn(-c2cc[nH+]cc2NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000777274161 889495111 /nfs/dbraw/zinc/49/51/11/889495111.db2.gz HALZRFIMNPSRJL-UHFFFAOYSA-N 2 2 376.508 3.723 20 0 GHADLP C[C@@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)cc1Cl ZINC000533025668 889535448 /nfs/dbraw/zinc/53/54/48/889535448.db2.gz UWDCVBFCZSSOSV-GFCCVEGCSA-N 2 2 381.307 3.773 20 0 GHADLP COc1cc2c(cc1C[NH2+]C1CC[NH+]([C@H](C)c3ccncc3)CC1)O[C@@H](C)C2 ZINC000533038447 889590861 /nfs/dbraw/zinc/59/08/61/889590861.db2.gz GCASSIAJIYXLCF-DLBZAZTESA-N 2 2 381.520 3.729 20 0 GHADLP CC(C)C[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)NC(=O)OC(C)(C)C ZINC000811473809 889659297 /nfs/dbraw/zinc/65/92/97/889659297.db2.gz MOZRAXZNLRRKOC-GOSISDBHSA-N 2 2 376.545 3.579 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccc([S@@](C)=O)cc3)CC2)c1 ZINC000124543461 889669242 /nfs/dbraw/zinc/66/92/42/889669242.db2.gz LGJXXFIETQHGPZ-MMTVBGGISA-N 2 2 399.604 3.595 20 0 GHADLP Cc1[nH+]ccn1CCCCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000124595286 889689154 /nfs/dbraw/zinc/68/91/54/889689154.db2.gz DVZFRFWEIOYLKJ-UHFFFAOYSA-N 2 2 396.564 3.941 20 0 GHADLP Cc1cc(F)ccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124672597 889719414 /nfs/dbraw/zinc/71/94/14/889719414.db2.gz JBKATYOCFUHUPR-SFTDATJTSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1cc(F)ccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124672597 889719421 /nfs/dbraw/zinc/71/94/21/889719421.db2.gz JBKATYOCFUHUPR-SFTDATJTSA-N 2 2 375.532 3.543 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC000795102309 890259990 /nfs/dbraw/zinc/25/99/90/890259990.db2.gz NSVOIDZOOUPHBP-AZUAARDMSA-N 2 2 382.508 3.704 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC000795102309 890260003 /nfs/dbraw/zinc/26/00/03/890260003.db2.gz NSVOIDZOOUPHBP-AZUAARDMSA-N 2 2 382.508 3.704 20 0 GHADLP C[C@H]1CC[C@H](c2ccccc2)N(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000287717463 913503985 /nfs/dbraw/zinc/50/39/85/913503985.db2.gz YKHCNYAFNXEVGS-WMZHIEFXSA-N 2 2 398.595 3.728 20 0 GHADLP C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000287717466 913504190 /nfs/dbraw/zinc/50/41/90/913504190.db2.gz YKHCNYAFNXEVGS-XXBNENTESA-N 2 2 398.595 3.728 20 0 GHADLP Cc1cc(C)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c(C)[nH+]1 ZINC000455467012 890991519 /nfs/dbraw/zinc/99/15/19/890991519.db2.gz GGJOXSBCIUHLMO-UHFFFAOYSA-N 2 2 376.451 3.881 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000812841543 891028330 /nfs/dbraw/zinc/02/83/30/891028330.db2.gz ALAXXYHRBQWLEX-UXHICEINSA-N 3 2 384.612 3.964 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000812841543 891028339 /nfs/dbraw/zinc/02/83/39/891028339.db2.gz ALAXXYHRBQWLEX-UXHICEINSA-N 3 2 384.612 3.964 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCc3cc(F)c(F)c(F)c3)CC2)cc1 ZINC000812842263 891030023 /nfs/dbraw/zinc/03/00/23/891030023.db2.gz RWSJMAQSGXVBNE-UHFFFAOYSA-N 2 2 377.454 3.971 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000246863596 891317846 /nfs/dbraw/zinc/31/78/46/891317846.db2.gz DCKAZUIFFYYQOM-HYBUGGRVSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000246863596 891317863 /nfs/dbraw/zinc/31/78/63/891317863.db2.gz DCKAZUIFFYYQOM-HYBUGGRVSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246863596 891317880 /nfs/dbraw/zinc/31/78/80/891317880.db2.gz DCKAZUIFFYYQOM-HYBUGGRVSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246863596 891317892 /nfs/dbraw/zinc/31/78/92/891317892.db2.gz DCKAZUIFFYYQOM-HYBUGGRVSA-N 3 2 380.580 3.922 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000246904404 891322430 /nfs/dbraw/zinc/32/24/30/891322430.db2.gz GBGKSSJMJAAJLP-FDDCHVKYSA-N 2 2 392.547 3.820 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000246904404 891322448 /nfs/dbraw/zinc/32/24/48/891322448.db2.gz GBGKSSJMJAAJLP-FDDCHVKYSA-N 2 2 392.547 3.820 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247728283 891393684 /nfs/dbraw/zinc/39/36/84/891393684.db2.gz UYBUIPKSTBREPY-JKIFEVAISA-N 2 2 380.414 3.812 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247728283 891393702 /nfs/dbraw/zinc/39/37/02/891393702.db2.gz UYBUIPKSTBREPY-JKIFEVAISA-N 2 2 380.414 3.812 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000248141097 891412775 /nfs/dbraw/zinc/41/27/75/891412775.db2.gz PRCVIAWGDWYKCZ-VOBQZIQPSA-N 2 2 394.346 3.922 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000248141097 891412781 /nfs/dbraw/zinc/41/27/81/891412781.db2.gz PRCVIAWGDWYKCZ-VOBQZIQPSA-N 2 2 394.346 3.922 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000747861484 891808970 /nfs/dbraw/zinc/80/89/70/891808970.db2.gz SCBNDVXTHDFULU-HXUWFJFHSA-N 2 2 384.524 3.589 20 0 GHADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000162014995 891950130 /nfs/dbraw/zinc/95/01/30/891950130.db2.gz QTKUOJSHVPYPQK-QFIPXVFZSA-N 2 2 396.531 3.710 20 0 GHADLP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000162025326 892019345 /nfs/dbraw/zinc/01/93/45/892019345.db2.gz FAMNHGJGRKBZBO-LJQANCHMSA-N 2 2 384.520 3.565 20 0 GHADLP CCOc1ccccc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000162041560 892041463 /nfs/dbraw/zinc/04/14/63/892041463.db2.gz QQVBWHANVZWUHD-IBGZPJMESA-N 2 2 384.520 3.647 20 0 GHADLP c1ccc(Oc2cccc(C[NH+]3CCC(c4nnc5n4CC[NH2+]C5)CC3)c2)cc1 ZINC000261650151 892057633 /nfs/dbraw/zinc/05/76/33/892057633.db2.gz FBSYKRIRLHWBCN-UHFFFAOYSA-N 2 2 389.503 3.553 20 0 GHADLP Fc1cccc(-c2ccc(C[NH+]3CCC(c4nnc5n4CC[NH2+]C5)CC3)s2)c1 ZINC000261769865 892106627 /nfs/dbraw/zinc/10/66/27/892106627.db2.gz PBJAJFSANQEMQL-UHFFFAOYSA-N 2 2 397.523 3.629 20 0 GHADLP CCSc1ccccc1[C@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000128702062 892290867 /nfs/dbraw/zinc/29/08/67/892290867.db2.gz PNXSFYYVORXTOV-SFHVURJKSA-N 2 2 398.576 3.583 20 0 GHADLP CC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)s1 ZINC000128804504 892459566 /nfs/dbraw/zinc/45/95/66/892459566.db2.gz QLMGSJODZKDINX-OAHLLOKOSA-N 2 2 392.956 3.576 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000128884857 892597734 /nfs/dbraw/zinc/59/77/34/892597734.db2.gz OMBBQBPHQKAZJJ-UHFFFAOYSA-N 2 2 393.531 3.613 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000128884857 892597746 /nfs/dbraw/zinc/59/77/46/892597746.db2.gz OMBBQBPHQKAZJJ-UHFFFAOYSA-N 2 2 393.531 3.613 20 0 GHADLP Clc1ccc(Br)c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000876931932 893393581 /nfs/dbraw/zinc/39/35/81/893393581.db2.gz YXWYRVDEHQGZCX-UHFFFAOYSA-N 2 2 381.705 3.651 20 0 GHADLP CC[N@@H+](Cc1nnc(-c2ccccc2O)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000878151721 894054150 /nfs/dbraw/zinc/05/41/50/894054150.db2.gz ZDNWZXBHQXGWIB-UHFFFAOYSA-N 2 2 393.491 3.576 20 0 GHADLP CC[N@H+](Cc1nnc(-c2ccccc2O)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000878151721 894054169 /nfs/dbraw/zinc/05/41/69/894054169.db2.gz ZDNWZXBHQXGWIB-UHFFFAOYSA-N 2 2 393.491 3.576 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000536999377 894205936 /nfs/dbraw/zinc/20/59/36/894205936.db2.gz LCLUNYJELUQQFB-OALUTQOASA-N 2 2 397.485 3.689 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000536999377 894205952 /nfs/dbraw/zinc/20/59/52/894205952.db2.gz LCLUNYJELUQQFB-OALUTQOASA-N 2 2 397.485 3.689 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H](c3ncc[nH]3)c3ccccc3)CC2)cc1 ZINC000127423147 894735538 /nfs/dbraw/zinc/73/55/38/894735538.db2.gz MUZBKOPVXSPQJN-JOCHJYFZSA-N 2 2 375.520 3.824 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000536834857 895085621 /nfs/dbraw/zinc/08/56/21/895085621.db2.gz YGHVQEGHKXNAMY-DVECYGJZSA-N 2 2 387.531 3.971 20 0 GHADLP O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1ccco1 ZINC000817274637 895460112 /nfs/dbraw/zinc/46/01/12/895460112.db2.gz PAYFLVVOKUSSQS-DHIUTWEWSA-N 2 2 398.547 3.980 20 0 GHADLP O[C@H](C[C@H]1CCCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1ccco1 ZINC000817274637 895460123 /nfs/dbraw/zinc/46/01/23/895460123.db2.gz PAYFLVVOKUSSQS-DHIUTWEWSA-N 2 2 398.547 3.980 20 0 GHADLP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000817407392 895586016 /nfs/dbraw/zinc/58/60/16/895586016.db2.gz MLFVIIQNTKSSMT-FGZHOGPDSA-N 2 2 380.536 3.618 20 0 GHADLP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000817407392 895586027 /nfs/dbraw/zinc/58/60/27/895586027.db2.gz MLFVIIQNTKSSMT-FGZHOGPDSA-N 2 2 380.536 3.618 20 0 GHADLP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000566114390 896118174 /nfs/dbraw/zinc/11/81/74/896118174.db2.gz HKTCVEPFUXFSLK-UGKGYDQZSA-N 2 2 397.563 3.760 20 0 GHADLP C[C@@](O)(C[NH2+]CCCCn1cc[nH+]c1)c1ccc(Br)cc1Cl ZINC000819057977 896344794 /nfs/dbraw/zinc/34/47/94/896344794.db2.gz BJZREVRBVFSZFB-MRXNPFEDSA-N 2 2 386.721 3.577 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)N(C)C3CCCCC3)C2)s1 ZINC000566645822 896449102 /nfs/dbraw/zinc/44/91/02/896449102.db2.gz ATVPCWPKEPMFEY-RTBURBONSA-N 2 2 391.625 3.990 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)N(C)C3CCCCC3)C2)s1 ZINC000566645822 896449107 /nfs/dbraw/zinc/44/91/07/896449107.db2.gz ATVPCWPKEPMFEY-RTBURBONSA-N 2 2 391.625 3.990 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N(C)C3CCCCC3)C2)s1 ZINC000566645822 896449117 /nfs/dbraw/zinc/44/91/17/896449117.db2.gz ATVPCWPKEPMFEY-RTBURBONSA-N 2 2 391.625 3.990 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N(C)C3CCCCC3)C2)s1 ZINC000566645822 896449120 /nfs/dbraw/zinc/44/91/20/896449120.db2.gz ATVPCWPKEPMFEY-RTBURBONSA-N 2 2 391.625 3.990 20 0 GHADLP COCc1cc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)ccc1OC ZINC000567600218 897283337 /nfs/dbraw/zinc/28/33/37/897283337.db2.gz MEUAVIQOUURYJF-OXJNMPFZSA-N 2 2 384.524 3.550 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccnc4ccccc34)CC2)cc1 ZINC000568024361 897542132 /nfs/dbraw/zinc/54/21/32/897542132.db2.gz GCNYPRWNOITEFT-UHFFFAOYSA-N 2 2 388.515 3.947 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1NC(C)=O ZINC000883387026 897549935 /nfs/dbraw/zinc/54/99/35/897549935.db2.gz QOWKPVRWIFIZEU-KKSFZXQISA-N 2 2 378.476 3.942 20 0 GHADLP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386730 897550359 /nfs/dbraw/zinc/55/03/59/897550359.db2.gz MBOUMVGACKPGCY-CRAIPNDOSA-N 2 2 383.883 3.680 20 0 GHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000568433648 897830456 /nfs/dbraw/zinc/83/04/56/897830456.db2.gz UNPWWVPGEKFZIC-FPOVZHCZSA-N 2 2 395.551 3.668 20 0 GHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000568433648 897830466 /nfs/dbraw/zinc/83/04/66/897830466.db2.gz UNPWWVPGEKFZIC-FPOVZHCZSA-N 2 2 395.551 3.668 20 0 GHADLP CC(C)C[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)n1cc[nH+]c1 ZINC000821715435 898060592 /nfs/dbraw/zinc/06/05/92/898060592.db2.gz BVSYLAKQKXWLCB-NRFANRHFSA-N 2 2 383.540 3.639 20 0 GHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000568809143 898119860 /nfs/dbraw/zinc/11/98/60/898119860.db2.gz RKMXTGOAYFMPAL-UNMCSNQZSA-N 2 2 394.563 3.587 20 0 GHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000568809143 898119873 /nfs/dbraw/zinc/11/98/73/898119873.db2.gz RKMXTGOAYFMPAL-UNMCSNQZSA-N 2 2 394.563 3.587 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)[N@@H+]1CCc2sccc2C1 ZINC001136515724 898144266 /nfs/dbraw/zinc/14/42/66/898144266.db2.gz XEFCDFMNYVRHKU-LMMKCTJWSA-N 2 2 398.576 3.677 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)[N@H+]1CCc2sccc2C1 ZINC001136515724 898144271 /nfs/dbraw/zinc/14/42/71/898144271.db2.gz XEFCDFMNYVRHKU-LMMKCTJWSA-N 2 2 398.576 3.677 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000568982942 898257152 /nfs/dbraw/zinc/25/71/52/898257152.db2.gz AFEVCJVUUQFNDT-HSZRJFAPSA-N 2 2 391.559 3.822 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000568982942 898257161 /nfs/dbraw/zinc/25/71/61/898257161.db2.gz AFEVCJVUUQFNDT-HSZRJFAPSA-N 2 2 391.559 3.822 20 0 GHADLP Cc1cc(C)c(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c(OCc2ccccc2)n1 ZINC000646106764 914260691 /nfs/dbraw/zinc/26/06/91/914260691.db2.gz RHXOINOLBNRGMX-UHFFFAOYSA-N 2 2 395.547 3.574 20 0 GHADLP Cc1cc(C)c(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c(OCc2ccccc2)n1 ZINC000646106764 914260701 /nfs/dbraw/zinc/26/07/01/914260701.db2.gz RHXOINOLBNRGMX-UHFFFAOYSA-N 2 2 395.547 3.574 20 0 GHADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000569358793 898570889 /nfs/dbraw/zinc/57/08/89/898570889.db2.gz LYTCDZZCJPZACQ-QHAWAJNXSA-N 2 2 387.474 3.613 20 0 GHADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000569358793 898570893 /nfs/dbraw/zinc/57/08/93/898570893.db2.gz LYTCDZZCJPZACQ-QHAWAJNXSA-N 2 2 387.474 3.613 20 0 GHADLP Cc1cc(NC(=O)CCc2ccc(OCC[NH+](C)C)cc2)ccc1-n1cc[nH+]c1 ZINC001136625694 898612224 /nfs/dbraw/zinc/61/22/24/898612224.db2.gz UBTKHUXVPRSGSE-UHFFFAOYSA-N 2 2 392.503 3.692 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N(C)C3CCCCC3)C2)s1 ZINC000569563228 898787700 /nfs/dbraw/zinc/78/77/00/898787700.db2.gz JDQUXCMPCPSFIJ-SFHVURJKSA-N 2 2 377.598 3.601 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N(C)C3CCCCC3)C2)s1 ZINC000569563228 898787712 /nfs/dbraw/zinc/78/77/12/898787712.db2.gz JDQUXCMPCPSFIJ-SFHVURJKSA-N 2 2 377.598 3.601 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N(C)C3CCCCC3)C2)s1 ZINC000569563228 898787719 /nfs/dbraw/zinc/78/77/19/898787719.db2.gz JDQUXCMPCPSFIJ-SFHVURJKSA-N 2 2 377.598 3.601 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N(C)C3CCCCC3)C2)s1 ZINC000569563228 898787731 /nfs/dbraw/zinc/78/77/31/898787731.db2.gz JDQUXCMPCPSFIJ-SFHVURJKSA-N 2 2 377.598 3.601 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1)c1cccc2ccccc21 ZINC000111243076 898794644 /nfs/dbraw/zinc/79/46/44/898794644.db2.gz AGBBMOQJCDXHAO-ROUUACIJSA-N 2 2 376.504 3.939 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001136677472 898847590 /nfs/dbraw/zinc/84/75/90/898847590.db2.gz SZEUNEXUTXGZJM-QFIPXVFZSA-N 2 2 379.548 3.802 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001136677472 898847606 /nfs/dbraw/zinc/84/76/06/898847606.db2.gz SZEUNEXUTXGZJM-QFIPXVFZSA-N 2 2 379.548 3.802 20 0 GHADLP CC[NH+](C)[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001136677472 898847620 /nfs/dbraw/zinc/84/76/20/898847620.db2.gz SZEUNEXUTXGZJM-QFIPXVFZSA-N 2 2 379.548 3.802 20 0 GHADLP CC[NH+](C)[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001136677472 898847641 /nfs/dbraw/zinc/84/76/41/898847641.db2.gz SZEUNEXUTXGZJM-QFIPXVFZSA-N 2 2 379.548 3.802 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000823887615 899306591 /nfs/dbraw/zinc/30/65/91/899306591.db2.gz LSWBRQBUTLSOPL-QZTJIDSGSA-N 2 2 397.604 3.501 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn2ccc(Br)cc2n1 ZINC000570864846 899650738 /nfs/dbraw/zinc/65/07/38/899650738.db2.gz CGIVCMORFIYZPI-UHFFFAOYSA-N 2 2 390.329 3.768 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn2ccc(Br)cc2n1 ZINC000570864846 899650743 /nfs/dbraw/zinc/65/07/43/899650743.db2.gz CGIVCMORFIYZPI-UHFFFAOYSA-N 2 2 390.329 3.768 20 0 GHADLP C[NH+]1CC2(C1)CC[NH+](Cc1c(Cl)nccc1NC(=O)OC(C)(C)C)CC2 ZINC001136900306 899697332 /nfs/dbraw/zinc/69/73/32/899697332.db2.gz MCWYKPDUXKJAIT-UHFFFAOYSA-N 2 2 380.920 3.610 20 0 GHADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000571010332 899712765 /nfs/dbraw/zinc/71/27/65/899712765.db2.gz ZRSGMXHUZKEGRS-IEBWSBKVSA-N 2 2 386.367 3.527 20 0 GHADLP CCCn1ccc2ccc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc21 ZINC000120162089 899761114 /nfs/dbraw/zinc/76/11/14/899761114.db2.gz QVNQEYKXOXCRNI-UHFFFAOYSA-N 2 2 397.567 3.731 20 0 GHADLP [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171072500 899911451 /nfs/dbraw/zinc/91/14/51/899911451.db2.gz JRRFSKCMSJFYOV-QMMLZNLJSA-N 2 2 390.358 3.652 20 0 GHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000134675456 900106353 /nfs/dbraw/zinc/10/63/53/900106353.db2.gz LXUDTYNQJVGCIU-YJBOKZPZSA-N 2 2 376.545 3.550 20 0 GHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000134675456 900106359 /nfs/dbraw/zinc/10/63/59/900106359.db2.gz LXUDTYNQJVGCIU-YJBOKZPZSA-N 2 2 376.545 3.550 20 0 GHADLP CCc1cc2c(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc(=O)oc2cc1O ZINC000134902327 900143848 /nfs/dbraw/zinc/14/38/48/900143848.db2.gz QGTLSCFIPKJORV-OXQOHEQNSA-N 2 2 382.504 3.510 20 0 GHADLP CCc1cc2c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc(=O)oc2cc1O ZINC000134902327 900143855 /nfs/dbraw/zinc/14/38/55/900143855.db2.gz QGTLSCFIPKJORV-OXQOHEQNSA-N 2 2 382.504 3.510 20 0 GHADLP CCc1cc2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc(=O)oc2cc1O ZINC000134902327 900143866 /nfs/dbraw/zinc/14/38/66/900143866.db2.gz QGTLSCFIPKJORV-OXQOHEQNSA-N 2 2 382.504 3.510 20 0 GHADLP CCc1cc2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc(=O)oc2cc1O ZINC000134902327 900143875 /nfs/dbraw/zinc/14/38/75/900143875.db2.gz QGTLSCFIPKJORV-OXQOHEQNSA-N 2 2 382.504 3.510 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000844312394 900669981 /nfs/dbraw/zinc/66/99/81/900669981.db2.gz FTXVKEIBQNRGGD-UHFFFAOYSA-N 2 2 384.524 3.698 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000844312394 900669988 /nfs/dbraw/zinc/66/99/88/900669988.db2.gz FTXVKEIBQNRGGD-UHFFFAOYSA-N 2 2 384.524 3.698 20 0 GHADLP Brc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)sc1Br ZINC000886070012 900703677 /nfs/dbraw/zinc/70/36/77/900703677.db2.gz NQQNTXSHKMYZBQ-QMMMGPOBSA-N 2 2 391.132 3.574 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000574679883 900969860 /nfs/dbraw/zinc/96/98/60/900969860.db2.gz ZCLKTIUFLMPUDI-RDPSFJRHSA-N 2 2 396.531 3.688 20 0 GHADLP CCc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc(CC)c1O ZINC001144139077 901114087 /nfs/dbraw/zinc/11/40/87/901114087.db2.gz ACWYLYHPSHSXNO-UHFFFAOYSA-N 2 2 398.547 3.977 20 0 GHADLP CCc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc(CC)c1O ZINC001144139077 901114091 /nfs/dbraw/zinc/11/40/91/901114091.db2.gz ACWYLYHPSHSXNO-UHFFFAOYSA-N 2 2 398.547 3.977 20 0 GHADLP COc1cccc(CN(CC[NH+](C)C)Cc2c[nH+]c(C)n2-c2ccccc2)c1 ZINC000576194690 901788547 /nfs/dbraw/zinc/78/85/47/901788547.db2.gz NEYJCQINITXODB-UHFFFAOYSA-N 2 2 378.520 3.753 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000333446795 902097062 /nfs/dbraw/zinc/09/70/62/902097062.db2.gz XPXBCOMIYCFMON-MJGOQNOKSA-N 2 2 393.535 3.977 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)cn1 ZINC000126468994 902327268 /nfs/dbraw/zinc/32/72/68/902327268.db2.gz FHUQXVAWNDUUCU-MRXNPFEDSA-N 2 2 375.476 3.553 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000128005732 902592057 /nfs/dbraw/zinc/59/20/57/902592057.db2.gz NKPMXRHNGRHJKF-UYAOXDASSA-N 2 2 399.539 3.719 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000578212991 903618237 /nfs/dbraw/zinc/61/82/37/903618237.db2.gz RTRWZWUKTXUXTL-AABGKKOBSA-N 2 2 377.960 3.686 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000578212991 903618239 /nfs/dbraw/zinc/61/82/39/903618239.db2.gz RTRWZWUKTXUXTL-AABGKKOBSA-N 2 2 377.960 3.686 20 0 GHADLP CC(C)c1ccc(-c2nc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cs2)cc1 ZINC001146890243 903628689 /nfs/dbraw/zinc/62/86/89/903628689.db2.gz COLLQRNFYSQKAE-UHFFFAOYSA-N 2 2 388.581 3.547 20 0 GHADLP CC(C)c1ccc(-c2nc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cs2)cc1 ZINC001146890243 903628694 /nfs/dbraw/zinc/62/86/94/903628694.db2.gz COLLQRNFYSQKAE-UHFFFAOYSA-N 2 2 388.581 3.547 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000779070675 903873038 /nfs/dbraw/zinc/87/30/38/903873038.db2.gz CUEQHIRPGNKQJH-MOPGFXCFSA-N 2 2 384.524 3.693 20 0 GHADLP CCN(C(=O)NCc1[nH+]cc(C)c(OC)c1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159843382 904210704 /nfs/dbraw/zinc/21/07/04/904210704.db2.gz HSXQSWASDJYMHE-HXUWFJFHSA-N 2 2 396.535 3.513 20 0 GHADLP CCN(C(=O)NCc1[nH+]cc(C)c(OC)c1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159843382 904210714 /nfs/dbraw/zinc/21/07/14/904210714.db2.gz HSXQSWASDJYMHE-HXUWFJFHSA-N 2 2 396.535 3.513 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000152053131 904228481 /nfs/dbraw/zinc/22/84/81/904228481.db2.gz VSOZDLJLBSQZBU-WIYYLYMNSA-N 2 2 383.540 3.516 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000152053131 904228489 /nfs/dbraw/zinc/22/84/89/904228489.db2.gz VSOZDLJLBSQZBU-WIYYLYMNSA-N 2 2 383.540 3.516 20 0 GHADLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccc1OCC(=O)N(C)C ZINC000152253555 904250478 /nfs/dbraw/zinc/25/04/78/904250478.db2.gz KCEZDWRALVZLLP-HXUWFJFHSA-N 2 2 392.503 3.580 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000153416570 904360329 /nfs/dbraw/zinc/36/03/29/904360329.db2.gz NLLBCPOIYROVAQ-HTAPYJJXSA-N 2 2 390.487 3.841 20 0 GHADLP [NH3+]C[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CCCCC1 ZINC000579449085 904616472 /nfs/dbraw/zinc/61/64/72/904616472.db2.gz OWRSWWJOKGKHMB-HXUWFJFHSA-N 2 2 379.508 3.631 20 0 GHADLP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000579469606 904631277 /nfs/dbraw/zinc/63/12/77/904631277.db2.gz MMLDWAXQGXKZKO-FQEVSTJZSA-N 2 2 392.528 3.648 20 0 GHADLP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000579469606 904631284 /nfs/dbraw/zinc/63/12/84/904631284.db2.gz MMLDWAXQGXKZKO-FQEVSTJZSA-N 2 2 392.528 3.648 20 0 GHADLP COc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000579557006 904700442 /nfs/dbraw/zinc/70/04/42/904700442.db2.gz IKGGPEXHQZMNNW-QHCPKHFHSA-N 2 2 393.531 3.895 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001171482807 904725870 /nfs/dbraw/zinc/72/58/70/904725870.db2.gz PMQHABOMBAMNEW-QGZVFWFLSA-N 2 2 388.506 3.719 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001171482807 904725884 /nfs/dbraw/zinc/72/58/84/904725884.db2.gz PMQHABOMBAMNEW-QGZVFWFLSA-N 2 2 388.506 3.719 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)c1C ZINC000646781987 914843901 /nfs/dbraw/zinc/84/39/01/914843901.db2.gz XSGQBDZUCPLQMM-HXUWFJFHSA-N 2 2 381.520 3.545 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001171642425 904932078 /nfs/dbraw/zinc/93/20/78/904932078.db2.gz XODDYERACKANJK-UHFFFAOYSA-N 2 2 382.508 3.764 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001171642425 904932085 /nfs/dbraw/zinc/93/20/85/904932085.db2.gz XODDYERACKANJK-UHFFFAOYSA-N 2 2 382.508 3.764 20 0 GHADLP [NH3+]C1(c2ccccc2F)CC[NH+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171880096 905153099 /nfs/dbraw/zinc/15/30/99/905153099.db2.gz LHJKSTRCFAJMTK-FQEVSTJZSA-N 2 2 395.522 3.770 20 0 GHADLP CC1(C)C[C@@H]([NH2+]Cc2ccnc(OC3CCC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC001171978989 905225439 /nfs/dbraw/zinc/22/54/39/905225439.db2.gz JVZIYXUYGMQEAV-IBGZPJMESA-N 2 2 380.536 3.941 20 0 GHADLP CC1(C)C[C@@H]([NH2+]Cc2ccnc(OC3CCC3)n2)CC[N@H+]1Cc1ccccc1 ZINC001171978989 905225452 /nfs/dbraw/zinc/22/54/52/905225452.db2.gz JVZIYXUYGMQEAV-IBGZPJMESA-N 2 2 380.536 3.941 20 0 GHADLP CC1(C)C[C@@H]([NH2+]Cc2ccnn2CC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001171979949 905229919 /nfs/dbraw/zinc/22/99/19/905229919.db2.gz RNYUEXLGBSZAQH-KRWDZBQOSA-N 2 2 380.458 3.978 20 0 GHADLP CC1(C)C[C@@H]([NH2+]Cc2ccnn2CC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001171979949 905229937 /nfs/dbraw/zinc/22/99/37/905229937.db2.gz RNYUEXLGBSZAQH-KRWDZBQOSA-N 2 2 380.458 3.978 20 0 GHADLP COc1cccc(N2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)n1 ZINC001171987930 905250235 /nfs/dbraw/zinc/25/02/35/905250235.db2.gz MEWSWTJRCYUDFK-OAQYLSRUSA-N 2 2 394.563 3.655 20 0 GHADLP COc1cccc(N2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)n1 ZINC001171987930 905250244 /nfs/dbraw/zinc/25/02/44/905250244.db2.gz MEWSWTJRCYUDFK-OAQYLSRUSA-N 2 2 394.563 3.655 20 0 GHADLP CC1(C)C[C@H]([NH+]2CCCN(C(=O)c3ccco3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171987724 905251769 /nfs/dbraw/zinc/25/17/69/905251769.db2.gz IIHHHYUHKVOFKN-OAQYLSRUSA-N 2 2 395.547 3.871 20 0 GHADLP CC1(C)C[C@H]([NH+]2CCCN(C(=O)c3ccco3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987724 905251777 /nfs/dbraw/zinc/25/17/77/905251777.db2.gz IIHHHYUHKVOFKN-OAQYLSRUSA-N 2 2 395.547 3.871 20 0 GHADLP CC1(C)C[C@H]([N@@H+]2CCCN(C(=O)c3ccco3)CC2)CC[NH+]1Cc1ccccc1 ZINC001171987724 905251786 /nfs/dbraw/zinc/25/17/86/905251786.db2.gz IIHHHYUHKVOFKN-OAQYLSRUSA-N 2 2 395.547 3.871 20 0 GHADLP CC1(C)C[C@H]([N@H+]2CCCN(C(=O)c3ccco3)CC2)CC[NH+]1Cc1ccccc1 ZINC001171987724 905251793 /nfs/dbraw/zinc/25/17/93/905251793.db2.gz IIHHHYUHKVOFKN-OAQYLSRUSA-N 2 2 395.547 3.871 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)CC12CCCCC2 ZINC001172051853 905271565 /nfs/dbraw/zinc/27/15/65/905271565.db2.gz VWUHWAHMQBAZPO-GOSISDBHSA-N 2 2 376.545 3.965 20 0 GHADLP Cc1[nH+]cn([C@H]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)c1CSCC[NH3+] ZINC001172085985 905300167 /nfs/dbraw/zinc/30/01/67/905300167.db2.gz WQTSDDBKPHFATM-FVQHAEBGSA-N 2 2 394.585 3.877 20 0 GHADLP O=C1Nc2ccccc2C[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172061695 905323989 /nfs/dbraw/zinc/32/39/89/905323989.db2.gz IYICIYVWWBHCOW-CUDBPUKSSA-N 2 2 375.516 3.725 20 0 GHADLP O=C1Nc2ccccc2C[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061695 905324003 /nfs/dbraw/zinc/32/40/03/905324003.db2.gz IYICIYVWWBHCOW-CUDBPUKSSA-N 2 2 375.516 3.725 20 0 GHADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000174717350 905330865 /nfs/dbraw/zinc/33/08/65/905330865.db2.gz CJXPXFBOBLEZOS-UHFFFAOYSA-N 2 2 378.973 3.533 20 0 GHADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000174717350 905330884 /nfs/dbraw/zinc/33/08/84/905330884.db2.gz CJXPXFBOBLEZOS-UHFFFAOYSA-N 2 2 378.973 3.533 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3cccc(OC(F)(F)F)c3)CC1)C2 ZINC001172133968 905346106 /nfs/dbraw/zinc/34/61/06/905346106.db2.gz UWWIPJXLVFGBOA-ALXJQNPVSA-N 2 2 383.458 3.723 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3cccc(OC(F)(F)F)c3)CC1)C2 ZINC001172133968 905346118 /nfs/dbraw/zinc/34/61/18/905346118.db2.gz UWWIPJXLVFGBOA-ALXJQNPVSA-N 2 2 383.458 3.723 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@@H]3CSc4ccccc4C3)CC2)cc1 ZINC001172198569 905432292 /nfs/dbraw/zinc/43/22/92/905432292.db2.gz QHJQUGDOWSPWPT-NRFANRHFSA-N 2 2 396.556 3.744 20 0 GHADLP COCCC[NH+]1CCC([NH2+]C2(c3ccccc3Br)CCC2)CC1 ZINC001172249395 905445598 /nfs/dbraw/zinc/44/55/98/905445598.db2.gz GARIMDZEPYZSTC-UHFFFAOYSA-N 2 2 381.358 3.919 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+]([C@@H]4CC[C@@H](C)[C@@H](C)C4)CC[C@@H]3C2)cs1 ZINC001172373407 905486006 /nfs/dbraw/zinc/48/60/06/905486006.db2.gz LSENKTVUNDPANG-YXYLECDTSA-N 2 2 377.598 3.799 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@@H]4CC[C@@H](C)[C@@H](C)C4)CC[C@@H]3C2)cs1 ZINC001172373407 905486008 /nfs/dbraw/zinc/48/60/08/905486008.db2.gz LSENKTVUNDPANG-YXYLECDTSA-N 2 2 377.598 3.799 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@@H]4CC[C@@H](C)[C@@H](C)C4)CC[C@@H]3C2)cs1 ZINC001172373407 905486010 /nfs/dbraw/zinc/48/60/10/905486010.db2.gz LSENKTVUNDPANG-YXYLECDTSA-N 2 2 377.598 3.799 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+]([C@@H]4CC[C@@H](C)[C@@H](C)C4)CC[C@@H]3C2)cs1 ZINC001172373407 905486011 /nfs/dbraw/zinc/48/60/11/905486011.db2.gz LSENKTVUNDPANG-YXYLECDTSA-N 2 2 377.598 3.799 20 0 GHADLP CC[C@@H](C)OCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC001172337723 905503928 /nfs/dbraw/zinc/50/39/28/905503928.db2.gz QTNNHYNTIDTDPN-ZWKOTPCHSA-N 2 2 376.541 3.621 20 0 GHADLP CC(C)OCC[C@H](C)[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001172451784 905570880 /nfs/dbraw/zinc/57/08/80/905570880.db2.gz NFSKAWDMIYMDDC-ICSRJNTNSA-N 2 2 381.511 3.818 20 0 GHADLP CC(C)OCC[C@H](C)[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001172451784 905570884 /nfs/dbraw/zinc/57/08/84/905570884.db2.gz NFSKAWDMIYMDDC-ICSRJNTNSA-N 2 2 381.511 3.818 20 0 GHADLP CC(C)OCC[C@H](C)[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001172451784 905570891 /nfs/dbraw/zinc/57/08/91/905570891.db2.gz NFSKAWDMIYMDDC-ICSRJNTNSA-N 2 2 381.511 3.818 20 0 GHADLP CC(C)OCC[C@H](C)[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001172451784 905570897 /nfs/dbraw/zinc/57/08/97/905570897.db2.gz NFSKAWDMIYMDDC-ICSRJNTNSA-N 2 2 381.511 3.818 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CC[C@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172581065 905681045 /nfs/dbraw/zinc/68/10/45/905681045.db2.gz OVUMJLCOBWMOIE-SCTDSRPQSA-N 2 2 377.504 3.608 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CC[C@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172581065 905681053 /nfs/dbraw/zinc/68/10/53/905681053.db2.gz OVUMJLCOBWMOIE-SCTDSRPQSA-N 2 2 377.504 3.608 20 0 GHADLP Cc1nc(Nc2ccc(C3CC[NH+](C)CC3)cc2)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001212689326 905973796 /nfs/dbraw/zinc/97/37/96/905973796.db2.gz YTHVTAUTFKJSQM-IAGOWNOFSA-N 2 2 395.551 3.951 20 0 GHADLP CC(C)n1ncc2cc(C[N@H+](C)C3CC[NH+](CCc4ccccn4)CC3)cnc21 ZINC000177261375 906078644 /nfs/dbraw/zinc/07/86/44/906078644.db2.gz WFUZJESJXIMTIL-UHFFFAOYSA-N 2 2 392.551 3.546 20 0 GHADLP CC(C)n1ncc2cc(C[N@@H+](C)C3CC[NH+](CCc4ccccn4)CC3)cnc21 ZINC000177261375 906078662 /nfs/dbraw/zinc/07/86/62/906078662.db2.gz WFUZJESJXIMTIL-UHFFFAOYSA-N 2 2 392.551 3.546 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCC(Oc5ccccc5)CC4)C[C@@H]3C2)cn1 ZINC001173200540 906285548 /nfs/dbraw/zinc/28/55/48/906285548.db2.gz NERUGHFCXHUKLA-YDNYCGNNSA-N 2 2 394.563 3.564 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C4CCC(Oc5ccccc5)CC4)C[C@@H]3C2)cn1 ZINC001173200540 906285568 /nfs/dbraw/zinc/28/55/68/906285568.db2.gz NERUGHFCXHUKLA-YDNYCGNNSA-N 2 2 394.563 3.564 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCC(Oc5ccccc5)CC4)C[C@@H]3C2)cn1 ZINC001173200540 906285587 /nfs/dbraw/zinc/28/55/87/906285587.db2.gz NERUGHFCXHUKLA-YDNYCGNNSA-N 2 2 394.563 3.564 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C4CCC(Oc5ccccc5)CC4)C[C@@H]3C2)cn1 ZINC001173200540 906285603 /nfs/dbraw/zinc/28/56/03/906285603.db2.gz NERUGHFCXHUKLA-YDNYCGNNSA-N 2 2 394.563 3.564 20 0 GHADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cn1 ZINC000629657491 906933363 /nfs/dbraw/zinc/93/33/63/906933363.db2.gz YPVVBMRPPWEGKW-AEFFLSMTSA-N 2 2 378.442 3.809 20 0 GHADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cn1 ZINC000629657491 906933370 /nfs/dbraw/zinc/93/33/70/906933370.db2.gz YPVVBMRPPWEGKW-AEFFLSMTSA-N 2 2 378.442 3.809 20 0 GHADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)CC[C@H]1C(F)(F)F ZINC000629656815 906935682 /nfs/dbraw/zinc/93/56/82/906935682.db2.gz RCVFFIXXLXWPMX-SJLPKXTDSA-N 2 2 379.426 3.620 20 0 GHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)CC[C@H]1C(F)(F)F ZINC000629656815 906935692 /nfs/dbraw/zinc/93/56/92/906935692.db2.gz RCVFFIXXLXWPMX-SJLPKXTDSA-N 2 2 379.426 3.620 20 0 GHADLP O=C(OCc1ccccc1)N1CCC(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000779478296 907298690 /nfs/dbraw/zinc/29/86/90/907298690.db2.gz OLQJPTICYZMUQG-UHFFFAOYSA-N 2 2 382.508 3.638 20 0 GHADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000630903512 907516147 /nfs/dbraw/zinc/51/61/47/907516147.db2.gz CPBDHMLKSVJXFG-UHFFFAOYSA-N 2 2 376.504 3.525 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000185166295 907725189 /nfs/dbraw/zinc/72/51/89/907725189.db2.gz FIUSXJYQGOZINO-UHFFFAOYSA-N 2 2 375.398 3.642 20 0 GHADLP COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000631564619 907758887 /nfs/dbraw/zinc/75/88/87/907758887.db2.gz WKSHZAZTWKXKQA-NRFANRHFSA-N 2 2 382.504 3.531 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](Cc2cccc(Nc3ccc(C[NH3+])cc3)c2)CC1 ZINC001175968179 907843456 /nfs/dbraw/zinc/84/34/56/907843456.db2.gz FSEZHCKLOJXNNN-UHFFFAOYSA-N 2 2 396.535 3.942 20 0 GHADLP COc1ccc(Br)cc1-c1nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cs1 ZINC000631840497 907860484 /nfs/dbraw/zinc/86/04/84/907860484.db2.gz SWQKNYQYOPNVDI-VXGBXAGGSA-N 2 2 396.354 3.608 20 0 GHADLP COc1ccc(Br)cc1-c1nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cs1 ZINC000631840497 907860492 /nfs/dbraw/zinc/86/04/92/907860492.db2.gz SWQKNYQYOPNVDI-VXGBXAGGSA-N 2 2 396.354 3.608 20 0 GHADLP O=C(OCc1ccccc1)N1CCC([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000192881119 907992543 /nfs/dbraw/zinc/99/25/43/907992543.db2.gz PYSSBLZHGNQCEL-UHFFFAOYSA-N 2 2 382.508 3.665 20 0 GHADLP Cn1c[nH+]cc1C1CC[NH+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC001176978002 908344521 /nfs/dbraw/zinc/34/45/21/908344521.db2.gz PQEXRRZIKFQBCF-HSZRJFAPSA-N 2 2 398.526 3.786 20 0 GHADLP Cn1c[nH+]cc1C1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC001176976650 908344793 /nfs/dbraw/zinc/34/47/93/908344793.db2.gz DBQHJOUEDGCYDY-UHFFFAOYSA-N 2 2 381.307 3.935 20 0 GHADLP Cn1cc(-c2nc(C[N@@H+]3CCC[C@H](c4c[nH+]cn4C(C)(C)C)C3)cs2)cn1 ZINC001176984879 908348187 /nfs/dbraw/zinc/34/81/87/908348187.db2.gz NOCOOMRLUMMYEM-HNNXBMFYSA-N 2 2 384.553 3.875 20 0 GHADLP Cn1cc(-c2nc(C[N@H+]3CCC[C@H](c4c[nH+]cn4C(C)(C)C)C3)cs2)cn1 ZINC001176984879 908348199 /nfs/dbraw/zinc/34/81/99/908348199.db2.gz NOCOOMRLUMMYEM-HNNXBMFYSA-N 2 2 384.553 3.875 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC001176991227 908350278 /nfs/dbraw/zinc/35/02/78/908350278.db2.gz QZCOHELETRIQMR-MJGOQNOKSA-N 2 2 382.508 3.843 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC001176991227 908350295 /nfs/dbraw/zinc/35/02/95/908350295.db2.gz QZCOHELETRIQMR-MJGOQNOKSA-N 2 2 382.508 3.843 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC001177231596 908474939 /nfs/dbraw/zinc/47/49/39/908474939.db2.gz WYPBYKRRVAECIF-UHFFFAOYSA-N 2 2 379.346 3.763 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCC[N@H+](C)C(C)C ZINC001177231596 908474944 /nfs/dbraw/zinc/47/49/44/908474944.db2.gz WYPBYKRRVAECIF-UHFFFAOYSA-N 2 2 379.346 3.763 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3c(Cl)n[nH]c3C3CC3)cc2)C[C@@H](C)O1 ZINC001177245516 908483558 /nfs/dbraw/zinc/48/35/58/908483558.db2.gz UKJDBRLPARLDJG-HUUCEWRRSA-N 2 2 388.943 3.840 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](c3ccccc3Cl)OC[C@H]2C)CC1 ZINC000191491327 908630981 /nfs/dbraw/zinc/63/09/81/908630981.db2.gz MREFQKSNZXTWKM-NQIIRXRSSA-N 2 2 379.976 3.518 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](c3ccccc3Cl)OC[C@H]2C)CC1 ZINC000191491327 908630987 /nfs/dbraw/zinc/63/09/87/908630987.db2.gz MREFQKSNZXTWKM-NQIIRXRSSA-N 2 2 379.976 3.518 20 0 GHADLP O=C(CCc1[nH]cc[nH+]1)N(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001177994957 908865262 /nfs/dbraw/zinc/86/52/62/908865262.db2.gz NQERSZDWORIRIP-JOCHJYFZSA-N 2 2 388.515 3.646 20 0 GHADLP O=C(CCc1[nH]cc[nH+]1)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001177994957 908865283 /nfs/dbraw/zinc/86/52/83/908865283.db2.gz NQERSZDWORIRIP-JOCHJYFZSA-N 2 2 388.515 3.646 20 0 GHADLP COc1cc(OC)cc(N2CC[C@H](C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)c1 ZINC001178170317 908947090 /nfs/dbraw/zinc/94/70/90/908947090.db2.gz LJWMPUJEUFMIIT-MRXNPFEDSA-N 2 2 398.532 3.567 20 0 GHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2c(Br)c3ccccc3n2C)CCCO1 ZINC001178472642 909069453 /nfs/dbraw/zinc/06/94/53/909069453.db2.gz FSDKDTULYDSTES-HNNXBMFYSA-N 2 2 394.357 3.531 20 0 GHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2c(Br)c3ccccc3n2C)CCCO1 ZINC001178472642 909069462 /nfs/dbraw/zinc/06/94/62/909069462.db2.gz FSDKDTULYDSTES-HNNXBMFYSA-N 2 2 394.357 3.531 20 0 GHADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001179816027 909747734 /nfs/dbraw/zinc/74/77/34/909747734.db2.gz JYICSNIHAPUQKV-UCLAIMLFSA-N 2 2 393.362 3.976 20 0 GHADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001179816027 909747742 /nfs/dbraw/zinc/74/77/42/909747742.db2.gz JYICSNIHAPUQKV-UCLAIMLFSA-N 2 2 393.362 3.976 20 0 GHADLP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000269053136 910119807 /nfs/dbraw/zinc/11/98/07/910119807.db2.gz IOZGHYVHKUZKQD-FDDCHVKYSA-N 3 2 393.579 3.562 20 0 GHADLP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000269053136 910119820 /nfs/dbraw/zinc/11/98/20/910119820.db2.gz IOZGHYVHKUZKQD-FDDCHVKYSA-N 3 2 393.579 3.562 20 0 GHADLP c1c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)onc1C1CC1 ZINC000639210155 910353207 /nfs/dbraw/zinc/35/32/07/910353207.db2.gz IPSNELHRQGRXLW-HXUWFJFHSA-N 2 2 381.520 3.570 20 0 GHADLP c1c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)onc1C1CC1 ZINC000639210155 910353222 /nfs/dbraw/zinc/35/32/22/910353222.db2.gz IPSNELHRQGRXLW-HXUWFJFHSA-N 2 2 381.520 3.570 20 0 GHADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)cn2)cn1 ZINC000246542009 910365698 /nfs/dbraw/zinc/36/56/98/910365698.db2.gz ASMLYEOMVTVKBO-DHIUTWEWSA-N 2 2 387.531 3.754 20 0 GHADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)cn2)cn1 ZINC000246542009 910365717 /nfs/dbraw/zinc/36/57/17/910365717.db2.gz ASMLYEOMVTVKBO-DHIUTWEWSA-N 2 2 387.531 3.754 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)cn2)cn1 ZINC000246542009 910365730 /nfs/dbraw/zinc/36/57/30/910365730.db2.gz ASMLYEOMVTVKBO-DHIUTWEWSA-N 2 2 387.531 3.754 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)cn2)cn1 ZINC000246542009 910365743 /nfs/dbraw/zinc/36/57/43/910365743.db2.gz ASMLYEOMVTVKBO-DHIUTWEWSA-N 2 2 387.531 3.754 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1COc2ccccc2C1 ZINC001180886336 910391038 /nfs/dbraw/zinc/39/10/38/910391038.db2.gz YWQYQNSWVLSBKJ-AJSBUHFISA-N 2 2 380.532 3.507 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1COc2ccccc2C1 ZINC001180886336 910391053 /nfs/dbraw/zinc/39/10/53/910391053.db2.gz YWQYQNSWVLSBKJ-AJSBUHFISA-N 2 2 380.532 3.507 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1COc2ccccc2C1 ZINC001180886338 910391188 /nfs/dbraw/zinc/39/11/88/910391188.db2.gz YWQYQNSWVLSBKJ-VJBMBRPKSA-N 2 2 380.532 3.507 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1COc2ccccc2C1 ZINC001180886338 910391197 /nfs/dbraw/zinc/39/11/97/910391197.db2.gz YWQYQNSWVLSBKJ-VJBMBRPKSA-N 2 2 380.532 3.507 20 0 GHADLP CN(C(=O)c1cccc2cccnc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000270021130 910409103 /nfs/dbraw/zinc/40/91/03/910409103.db2.gz DIMLKRNMGZWLFC-FCHUYYIVSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cccc2cccnc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000270021130 910409107 /nfs/dbraw/zinc/40/91/07/910409107.db2.gz DIMLKRNMGZWLFC-FCHUYYIVSA-N 2 2 394.563 3.644 20 0 GHADLP C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)CC[C@H]21 ZINC000270337147 910524921 /nfs/dbraw/zinc/52/49/21/910524921.db2.gz MZGACSDVPHKUPC-GHTZIAJQSA-N 2 2 391.519 3.550 20 0 GHADLP C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)CC[C@H]21 ZINC000270337147 910524926 /nfs/dbraw/zinc/52/49/26/910524926.db2.gz MZGACSDVPHKUPC-GHTZIAJQSA-N 2 2 391.519 3.550 20 0 GHADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@H](C)C1 ZINC000270405170 910552115 /nfs/dbraw/zinc/55/21/15/910552115.db2.gz ZVBXMJAWKKJJOX-DYESRHJHSA-N 2 2 393.535 3.796 20 0 GHADLP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@H](C)C1 ZINC000270405170 910552121 /nfs/dbraw/zinc/55/21/21/910552121.db2.gz ZVBXMJAWKKJJOX-DYESRHJHSA-N 2 2 393.535 3.796 20 0 GHADLP CC1CC[NH+](CCc2cccc(NC(=O)N(C)CCCn3cc[nH+]c3)c2)CC1 ZINC000271389090 910885813 /nfs/dbraw/zinc/88/58/13/910885813.db2.gz LCZZQONCHUDYOY-UHFFFAOYSA-N 2 2 383.540 3.712 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1Cl ZINC001182223231 911317255 /nfs/dbraw/zinc/31/72/55/911317255.db2.gz RPIWRQBZNJDVEH-LJCCNALRSA-N 2 2 377.960 3.854 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1Cl ZINC001182223231 911317276 /nfs/dbraw/zinc/31/72/76/911317276.db2.gz RPIWRQBZNJDVEH-LJCCNALRSA-N 2 2 377.960 3.854 20 0 GHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC001182872886 912093327 /nfs/dbraw/zinc/09/33/27/912093327.db2.gz HDYJOIDYFAAHBQ-JKSUJKDBSA-N 2 2 396.373 3.876 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647288082 915137133 /nfs/dbraw/zinc/13/71/33/915137133.db2.gz JGPOOUBQJTWGMQ-ROUUACIJSA-N 2 2 399.558 3.912 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1cccc2ccccc21 ZINC000647902063 915432495 /nfs/dbraw/zinc/43/24/95/915432495.db2.gz ZIRNOIWBRQGDKF-BNUXRISVSA-N 2 2 379.548 3.870 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1cccc2ccccc21 ZINC000647902063 915432499 /nfs/dbraw/zinc/43/24/99/915432499.db2.gz ZIRNOIWBRQGDKF-BNUXRISVSA-N 2 2 379.548 3.870 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000648739063 915850201 /nfs/dbraw/zinc/85/02/01/915850201.db2.gz WDALTDSRJOLWDM-SQNIBIBYSA-N 2 2 384.524 3.645 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N(C3CC3)C3CCCC3)C2)s1 ZINC000649604084 916254119 /nfs/dbraw/zinc/25/41/19/916254119.db2.gz PVTTWQPCHUIQDR-SFHVURJKSA-N 2 2 389.609 3.744 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N(C3CC3)C3CCCC3)C2)s1 ZINC000649604084 916254126 /nfs/dbraw/zinc/25/41/26/916254126.db2.gz PVTTWQPCHUIQDR-SFHVURJKSA-N 2 2 389.609 3.744 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N(C3CC3)C3CCCC3)C2)s1 ZINC000649604084 916254140 /nfs/dbraw/zinc/25/41/40/916254140.db2.gz PVTTWQPCHUIQDR-SFHVURJKSA-N 2 2 389.609 3.744 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N(C3CC3)C3CCCC3)C2)s1 ZINC000649604084 916254154 /nfs/dbraw/zinc/25/41/54/916254154.db2.gz PVTTWQPCHUIQDR-SFHVURJKSA-N 2 2 389.609 3.744 20 0 GHADLP CSCc1cnc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)s1 ZINC000294218403 916656112 /nfs/dbraw/zinc/65/61/12/916656112.db2.gz SFHCATDHEKIARA-HZPDHXFCSA-N 2 2 391.606 3.905 20 0 GHADLP O=C(c1ccccc1-n1cc[nH+]c1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001190085173 917119409 /nfs/dbraw/zinc/11/94/09/917119409.db2.gz FAXVQTWAGFBOJW-OFNKIYASSA-N 2 2 386.499 3.609 20 0 GHADLP O=C(c1ccccc1-n1cc[nH+]c1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001190085173 917119412 /nfs/dbraw/zinc/11/94/12/917119412.db2.gz FAXVQTWAGFBOJW-OFNKIYASSA-N 2 2 386.499 3.609 20 0 GHADLP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000775384688 917320270 /nfs/dbraw/zinc/32/02/70/917320270.db2.gz FNRIEPSFZTUGOV-LJGDNWOOSA-N 2 2 397.382 3.685 20 0 GHADLP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000775384688 917320284 /nfs/dbraw/zinc/32/02/84/917320284.db2.gz FNRIEPSFZTUGOV-LJGDNWOOSA-N 2 2 397.382 3.685 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)CC1 ZINC000796447742 917364758 /nfs/dbraw/zinc/36/47/58/917364758.db2.gz FIFOKPULPJWZCV-UHFFFAOYSA-N 2 2 388.556 3.995 20 0 GHADLP CCc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001190643043 917471047 /nfs/dbraw/zinc/47/10/47/917471047.db2.gz IIMFJFYAXSFWRD-QFIPXVFZSA-N 2 2 392.591 3.721 20 0 GHADLP CCc1ccccc1CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001190643043 917471053 /nfs/dbraw/zinc/47/10/53/917471053.db2.gz IIMFJFYAXSFWRD-QFIPXVFZSA-N 2 2 392.591 3.721 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)CCc2nc3ccccc3c(=O)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000363239673 917960156 /nfs/dbraw/zinc/96/01/56/917960156.db2.gz ZHJIYNJRJSOBOX-QUCCMNQESA-N 2 2 390.531 3.863 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)CCc2nc3ccccc3c(=O)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000363239673 917960163 /nfs/dbraw/zinc/96/01/63/917960163.db2.gz ZHJIYNJRJSOBOX-QUCCMNQESA-N 2 2 390.531 3.863 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)CCc2nc3ccccc3c(=O)[nH]2)CC[NH+]1Cc1ccccc1 ZINC000363239673 917960175 /nfs/dbraw/zinc/96/01/75/917960175.db2.gz ZHJIYNJRJSOBOX-QUCCMNQESA-N 2 2 390.531 3.863 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)CCc2nc3ccccc3c(=O)[nH]2)CC[NH+]1Cc1ccccc1 ZINC000363239673 917960186 /nfs/dbraw/zinc/96/01/86/917960186.db2.gz ZHJIYNJRJSOBOX-QUCCMNQESA-N 2 2 390.531 3.863 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CCc2nc3ccccc3c(=O)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000363239674 917960247 /nfs/dbraw/zinc/96/02/47/917960247.db2.gz ZHJIYNJRJSOBOX-UYAOXDASSA-N 2 2 390.531 3.863 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CCc2nc3ccccc3c(=O)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000363239674 917960262 /nfs/dbraw/zinc/96/02/62/917960262.db2.gz ZHJIYNJRJSOBOX-UYAOXDASSA-N 2 2 390.531 3.863 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)CCc2nc3ccccc3c(=O)[nH]2)CC[NH+]1Cc1ccccc1 ZINC000363239674 917960270 /nfs/dbraw/zinc/96/02/70/917960270.db2.gz ZHJIYNJRJSOBOX-UYAOXDASSA-N 2 2 390.531 3.863 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)CCc2nc3ccccc3c(=O)[nH]2)CC[NH+]1Cc1ccccc1 ZINC000363239674 917960285 /nfs/dbraw/zinc/96/02/85/917960285.db2.gz ZHJIYNJRJSOBOX-UYAOXDASSA-N 2 2 390.531 3.863 20 0 GHADLP CC[N@H+](Cc1cc(C(C)=O)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000653581390 918328260 /nfs/dbraw/zinc/32/82/60/918328260.db2.gz MCCDGMIGFNSSLA-UHFFFAOYSA-N 2 2 385.512 3.590 20 0 GHADLP CC[N@@H+](Cc1cc(C(C)=O)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000653581390 918328275 /nfs/dbraw/zinc/32/82/75/918328275.db2.gz MCCDGMIGFNSSLA-UHFFFAOYSA-N 2 2 385.512 3.590 20 0 GHADLP C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc2ccccc21 ZINC000364280034 919294936 /nfs/dbraw/zinc/29/49/36/919294936.db2.gz GYNVAWDWUGYWNH-NQIIRXRSSA-N 2 2 394.563 3.711 20 0 GHADLP C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc2ccccc21 ZINC000364280034 919294953 /nfs/dbraw/zinc/29/49/53/919294953.db2.gz GYNVAWDWUGYWNH-NQIIRXRSSA-N 2 2 394.563 3.711 20 0 GHADLP C[NH+](C)C1CCN(c2ccc([NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2)CC1 ZINC000297579683 919460017 /nfs/dbraw/zinc/46/00/17/919460017.db2.gz IJHIFSHKWSXICD-UHFFFAOYSA-N 3 2 379.552 3.693 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000364542034 919612521 /nfs/dbraw/zinc/61/25/21/919612521.db2.gz ZBPLBZCMCSRNHN-QGZVFWFLSA-N 2 2 398.551 3.997 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000364542034 919612530 /nfs/dbraw/zinc/61/25/30/919612530.db2.gz ZBPLBZCMCSRNHN-QGZVFWFLSA-N 2 2 398.551 3.997 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc12 ZINC000800403873 920035265 /nfs/dbraw/zinc/03/52/65/920035265.db2.gz CNKGWSRNIHZHNJ-HNNXBMFYSA-N 2 2 398.942 3.843 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc12 ZINC000800403873 920035297 /nfs/dbraw/zinc/03/52/97/920035297.db2.gz CNKGWSRNIHZHNJ-HNNXBMFYSA-N 2 2 398.942 3.843 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000365221296 920529572 /nfs/dbraw/zinc/52/95/72/920529572.db2.gz PBUWZGPRKOSFGY-HXUWFJFHSA-N 2 2 395.551 3.860 20 0 GHADLP C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@H]1c1cccs1 ZINC000365568328 920958333 /nfs/dbraw/zinc/95/83/33/920958333.db2.gz GUDKNCDSODGCFU-CTNGQTDRSA-N 2 2 394.544 3.806 20 0 GHADLP C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@H]1c1cccs1 ZINC000365568328 920958349 /nfs/dbraw/zinc/95/83/49/920958349.db2.gz GUDKNCDSODGCFU-CTNGQTDRSA-N 2 2 394.544 3.806 20 0 GHADLP CCCC[N@H+](C)CC1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000298983418 921105820 /nfs/dbraw/zinc/10/58/20/921105820.db2.gz HNMRNLGLVSAQHI-UHFFFAOYSA-N 2 2 397.567 3.585 20 0 GHADLP CCCC[N@@H+](C)CC1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000298983418 921105827 /nfs/dbraw/zinc/10/58/27/921105827.db2.gz HNMRNLGLVSAQHI-UHFFFAOYSA-N 2 2 397.567 3.585 20 0 GHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902467656 922220084 /nfs/dbraw/zinc/22/00/84/922220084.db2.gz QTMJLEFIYFMJPU-ZOUAZZMLSA-N 2 2 375.822 3.558 20 0 GHADLP Cc1ccc(-n2c(Cl)c(C[NH2+]CCCCn3cc[nH+]c3)nc2N(C)C)cc1 ZINC000802642927 922288155 /nfs/dbraw/zinc/28/81/55/922288155.db2.gz HHBPJMFCZIDAMQ-UHFFFAOYSA-N 2 2 386.931 3.667 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(C(F)(F)F)cn1 ZINC000902727946 922440962 /nfs/dbraw/zinc/44/09/62/922440962.db2.gz HLEAAHHOFLCPKX-OAHLLOKOSA-N 2 2 379.426 3.783 20 0 GHADLP COCCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)cc1 ZINC000368105848 922477261 /nfs/dbraw/zinc/47/72/61/922477261.db2.gz XPBZTKKHJOKDOP-CVEARBPZSA-N 2 2 378.314 3.787 20 0 GHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cnn(CC2CCC2)c1 ZINC000903139230 922801009 /nfs/dbraw/zinc/80/10/09/922801009.db2.gz GAVVMTYJZUPABL-KRWDZBQOSA-N 2 2 382.556 3.782 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC000370625234 924212824 /nfs/dbraw/zinc/21/28/24/924212824.db2.gz WQIRCLCDKOPLSM-MBSDFSHPSA-N 2 2 382.527 3.690 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC000370625234 924212840 /nfs/dbraw/zinc/21/28/40/924212840.db2.gz WQIRCLCDKOPLSM-MBSDFSHPSA-N 2 2 382.527 3.690 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000677224391 924289459 /nfs/dbraw/zinc/28/94/59/924289459.db2.gz PLBRETYGFREKIC-UHFFFAOYSA-N 2 2 391.519 3.582 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000677224391 924289468 /nfs/dbraw/zinc/28/94/68/924289468.db2.gz PLBRETYGFREKIC-UHFFFAOYSA-N 2 2 391.519 3.582 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CC1=Cc3cc(Br)ccc3OC1)CCC2 ZINC000371069704 924415004 /nfs/dbraw/zinc/41/50/04/924415004.db2.gz PEBCBNGJYUYNMJ-OAHLLOKOSA-N 2 2 388.309 3.897 20 0 GHADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000677653988 924441524 /nfs/dbraw/zinc/44/15/24/924441524.db2.gz HFCQXZWIQKSVFG-QGZVFWFLSA-N 2 2 384.351 3.513 20 0 GHADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000677653984 924441886 /nfs/dbraw/zinc/44/18/86/924441886.db2.gz HFCQXZWIQKSVFG-KRWDZBQOSA-N 2 2 384.351 3.513 20 0 GHADLP CC(C)c1ccc(/C=C\CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677924780 924549142 /nfs/dbraw/zinc/54/91/42/924549142.db2.gz JUVRRMIZZZRTQS-IYZQMXKPSA-N 2 2 383.580 3.840 20 0 GHADLP CC(C)c1ccc(/C=C\CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677924780 924549154 /nfs/dbraw/zinc/54/91/54/924549154.db2.gz JUVRRMIZZZRTQS-IYZQMXKPSA-N 2 2 383.580 3.840 20 0 GHADLP CC(C)c1ccc(/C=C\CC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677924782 924549676 /nfs/dbraw/zinc/54/96/76/924549676.db2.gz JUVRRMIZZZRTQS-UZQCKINESA-N 2 2 383.580 3.840 20 0 GHADLP CC(C)c1ccc(/C=C\CC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677924782 924549683 /nfs/dbraw/zinc/54/96/83/924549683.db2.gz JUVRRMIZZZRTQS-UZQCKINESA-N 2 2 383.580 3.840 20 0 GHADLP C[N@@H+]1CCC[C@@H](N2CC[NH+]([C@@H]3CCCc4ccc(Br)cc43)CC2)C1 ZINC000678311573 924719176 /nfs/dbraw/zinc/71/91/76/924719176.db2.gz HJFMQWFMGAYWEH-UYAOXDASSA-N 2 2 392.385 3.538 20 0 GHADLP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@@H]3CCCc4ccc(Br)cc43)CC2)C1 ZINC000678311573 924719186 /nfs/dbraw/zinc/71/91/86/924719186.db2.gz HJFMQWFMGAYWEH-UYAOXDASSA-N 2 2 392.385 3.538 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000409529203 924731697 /nfs/dbraw/zinc/73/16/97/924731697.db2.gz SNFSOVKMVPAESX-QUCCMNQESA-N 2 2 389.927 3.879 20 0 GHADLP CN(Cc1cc(Cl)ccc1OC(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678718764 924893690 /nfs/dbraw/zinc/89/36/90/924893690.db2.gz CAHHPOUXCPESDI-QGZVFWFLSA-N 2 2 387.902 3.542 20 0 GHADLP CN(Cc1cc(Cl)ccc1OC(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678718764 924893696 /nfs/dbraw/zinc/89/36/96/924893696.db2.gz CAHHPOUXCPESDI-QGZVFWFLSA-N 2 2 387.902 3.542 20 0 GHADLP CC(C)(C)[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc2ccccc2o1 ZINC000679387145 925119413 /nfs/dbraw/zinc/11/94/13/925119413.db2.gz YBEXFPQKRCJYLS-UGKGYDQZSA-N 2 2 385.552 3.516 20 0 GHADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000680228552 925400243 /nfs/dbraw/zinc/40/02/43/925400243.db2.gz OIVZEFJMBBJRJV-SFHVURJKSA-N 2 2 384.351 3.558 20 0 GHADLP C[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000680228552 925400249 /nfs/dbraw/zinc/40/02/49/925400249.db2.gz OIVZEFJMBBJRJV-SFHVURJKSA-N 2 2 384.351 3.558 20 0 GHADLP COc1ccc(Oc2ccc(C[NH+]3CCN([C@@H]4CCC[N@H+](C)C4)CC3)cc2)cc1 ZINC000680328740 925444995 /nfs/dbraw/zinc/44/49/95/925444995.db2.gz DRLAZKMEPJJHOH-OAQYLSRUSA-N 2 2 395.547 3.699 20 0 GHADLP COc1ccc(Oc2ccc(C[NH+]3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cc2)cc1 ZINC000680328740 925444999 /nfs/dbraw/zinc/44/49/99/925444999.db2.gz DRLAZKMEPJJHOH-OAQYLSRUSA-N 2 2 395.547 3.699 20 0 GHADLP CC(C)C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000681209770 925761630 /nfs/dbraw/zinc/76/16/30/925761630.db2.gz BLNYWUHAZOXPBS-RBUKOAKNSA-N 2 2 392.613 3.645 20 0 GHADLP CC(C)C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000681209770 925761634 /nfs/dbraw/zinc/76/16/34/925761634.db2.gz BLNYWUHAZOXPBS-RBUKOAKNSA-N 2 2 392.613 3.645 20 0 GHADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000374917921 927698258 /nfs/dbraw/zinc/69/82/58/927698258.db2.gz RGSOBRGJKLJBGS-IBGZPJMESA-N 2 2 383.540 3.547 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000751083767 928019514 /nfs/dbraw/zinc/01/95/14/928019514.db2.gz DEPOUXQAUFXRHB-FXAWDEMLSA-N 2 2 396.535 3.559 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000751083767 928019524 /nfs/dbraw/zinc/01/95/24/928019524.db2.gz DEPOUXQAUFXRHB-FXAWDEMLSA-N 2 2 396.535 3.559 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1Cl ZINC000543987520 928651906 /nfs/dbraw/zinc/65/19/06/928651906.db2.gz AEKQGLBLGSXGLA-KRWDZBQOSA-N 2 2 388.943 3.906 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@H]1CO)CCS2 ZINC000467407900 929041841 /nfs/dbraw/zinc/04/18/41/929041841.db2.gz PDPPDDSMZVZCPQ-VLCRHTCISA-N 2 2 398.572 3.705 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1CO)CCS2 ZINC000467407900 929041853 /nfs/dbraw/zinc/04/18/53/929041853.db2.gz PDPPDDSMZVZCPQ-VLCRHTCISA-N 2 2 398.572 3.705 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1CO)CCS2 ZINC000467407901 929042266 /nfs/dbraw/zinc/04/22/66/929042266.db2.gz PDPPDDSMZVZCPQ-YUXAGFNASA-N 2 2 398.572 3.705 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1CO)CCS2 ZINC000467407901 929042278 /nfs/dbraw/zinc/04/22/78/929042278.db2.gz PDPPDDSMZVZCPQ-YUXAGFNASA-N 2 2 398.572 3.705 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H](c3ccc(F)cc3)c3ccccn3)[nH+]c2)C1 ZINC000544384218 929113665 /nfs/dbraw/zinc/11/36/65/929113665.db2.gz HVUDRBWKPCJGEU-REWPJTCUSA-N 2 2 391.494 3.958 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC2(C[NH+](C)C)CCCC2)c(C)c1 ZINC000546140088 929894498 /nfs/dbraw/zinc/89/44/98/929894498.db2.gz FMPHYYIROGTWJG-NRFANRHFSA-N 2 2 397.567 3.662 20 0 GHADLP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3CC[NH+]3Cc3ccccc3)cc2)C1 ZINC000470081648 930366959 /nfs/dbraw/zinc/36/69/59/930366959.db2.gz NBBSXDVXZWNWKV-XXBNENTESA-N 2 2 393.531 3.620 20 0 GHADLP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CC[NH+]3Cc3ccccc3)cc2)C1 ZINC000470081648 930366964 /nfs/dbraw/zinc/36/69/64/930366964.db2.gz NBBSXDVXZWNWKV-XXBNENTESA-N 2 2 393.531 3.620 20 0 GHADLP C[C@@H]1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)cc2)C1 ZINC000470081648 930366970 /nfs/dbraw/zinc/36/69/70/930366970.db2.gz NBBSXDVXZWNWKV-XXBNENTESA-N 2 2 393.531 3.620 20 0 GHADLP C[C@@H]1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)cc2)C1 ZINC000470081648 930366971 /nfs/dbraw/zinc/36/69/71/930366971.db2.gz NBBSXDVXZWNWKV-XXBNENTESA-N 2 2 393.531 3.620 20 0 GHADLP C[C@H]1CCN(C(=O)NCCCCCCC[NH+]2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000759583130 930412499 /nfs/dbraw/zinc/41/24/99/930412499.db2.gz HRIOIWHMPCVFIT-VQTJNVASSA-N 2 2 375.561 3.522 20 0 GHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccc2c(c1)C[NH2+]C2 ZINC000470365157 930563872 /nfs/dbraw/zinc/56/38/72/930563872.db2.gz OGAYZIPFQMLJPY-LJQANCHMSA-N 2 2 387.886 3.649 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000782505196 931245197 /nfs/dbraw/zinc/24/51/97/931245197.db2.gz VGMKCSZXFHBCSR-UXHICEINSA-N 2 2 382.508 3.846 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000782505196 931245209 /nfs/dbraw/zinc/24/52/09/931245209.db2.gz VGMKCSZXFHBCSR-UXHICEINSA-N 2 2 382.508 3.846 20 0 GHADLP c1ccc([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CCOCC2)cc1 ZINC000782756776 931326634 /nfs/dbraw/zinc/32/66/34/931326634.db2.gz GZBFACDGFMJETB-DEOSSOPVSA-N 2 2 380.532 3.776 20 0 GHADLP OC1CC[NH+](CCC[NH2+][C@H](Cc2cccc(F)c2Cl)c2ccco2)CC1 ZINC000924757211 931526173 /nfs/dbraw/zinc/52/61/73/931526173.db2.gz RPOVCGJQNWUTES-GOSISDBHSA-N 2 2 380.891 3.792 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@]3(CCN(c4cc(N5CCCCC5)[nH+]cn4)C3)C2)cc1 ZINC000557736348 931640099 /nfs/dbraw/zinc/64/00/99/931640099.db2.gz CQSYTJOQYQKYEJ-QHCPKHFHSA-N 2 2 377.536 3.569 20 0 GHADLP c1ccc(C[N@H+]2CC[C@]3(CCN(c4cc(N5CCCCC5)[nH+]cn4)C3)C2)cc1 ZINC000557736348 931640100 /nfs/dbraw/zinc/64/01/00/931640100.db2.gz CQSYTJOQYQKYEJ-QHCPKHFHSA-N 2 2 377.536 3.569 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1cnnn1C ZINC000925089598 931640780 /nfs/dbraw/zinc/64/07/80/931640780.db2.gz KNRMKTOZLFNJPF-JCKWVBRZSA-N 2 2 381.446 3.568 20 0 GHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1cnnn1C ZINC000925089598 931640785 /nfs/dbraw/zinc/64/07/85/931640785.db2.gz KNRMKTOZLFNJPF-JCKWVBRZSA-N 2 2 381.446 3.568 20 0 GHADLP Cc1nc(-c2cc([C@H](C)[NH2+][C@H]3C[NH2+]CC4(CCOCC4)C3)cs2)cs1 ZINC000925797408 931906350 /nfs/dbraw/zinc/90/63/50/931906350.db2.gz ODZWTMYODOFZDW-XJKSGUPXSA-N 2 2 377.579 3.989 20 0 GHADLP Brc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccnc2)cc1 ZINC000926230084 932090990 /nfs/dbraw/zinc/09/09/90/932090990.db2.gz QVPRQBRQZJQVDH-MJGOQNOKSA-N 2 2 383.293 3.735 20 0 GHADLP CC[C@H](C[C@@](C)(O)CC)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000926527981 932217536 /nfs/dbraw/zinc/21/75/36/932217536.db2.gz MIYSJMMOHAJCPO-KNQAVFIVSA-N 2 2 375.557 3.529 20 0 GHADLP C[N@@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)[C@@H]1c1cccnc1 ZINC000926580278 932233728 /nfs/dbraw/zinc/23/37/28/932233728.db2.gz NWMIDLPWWUGQOL-SDHOMARFSA-N 2 2 386.543 3.913 20 0 GHADLP C[N@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)[C@@H]1c1cccnc1 ZINC000926580278 932233738 /nfs/dbraw/zinc/23/37/38/932233738.db2.gz NWMIDLPWWUGQOL-SDHOMARFSA-N 2 2 386.543 3.913 20 0 GHADLP Brc1ccc(C2CC([NH2+]C[C@@H]3CC[N@@H+]3C3CCOCC3)C2)cc1 ZINC000927106644 932414363 /nfs/dbraw/zinc/41/43/63/932414363.db2.gz RIZKFVODUWQOOO-KVWWFHCMSA-N 2 2 379.342 3.538 20 0 GHADLP Brc1ccc(C2CC([NH2+]C[C@@H]3CC[N@H+]3C3CCOCC3)C2)cc1 ZINC000927106644 932414366 /nfs/dbraw/zinc/41/43/66/932414366.db2.gz RIZKFVODUWQOOO-KVWWFHCMSA-N 2 2 379.342 3.538 20 0 GHADLP C[N@@H+]1CCCC[C@H]1CCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000559950280 932977286 /nfs/dbraw/zinc/97/72/86/932977286.db2.gz PHDHLZGLABQCBR-FQEVSTJZSA-N 2 2 399.608 3.889 20 0 GHADLP C[N@H+]1CCCC[C@H]1CCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000559950280 932977291 /nfs/dbraw/zinc/97/72/91/932977291.db2.gz PHDHLZGLABQCBR-FQEVSTJZSA-N 2 2 399.608 3.889 20 0 GHADLP Cc1ccc(-n2cc(C[NH2+]CCn3cc[nH+]c3)c(-c3ccc(F)cc3)n2)cc1 ZINC000560068866 933047488 /nfs/dbraw/zinc/04/74/88/933047488.db2.gz GJFPGCSUYPSRTQ-UHFFFAOYSA-N 2 2 375.451 3.973 20 0 GHADLP FC(F)Oc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(OC(F)F)c1 ZINC001116017476 933284921 /nfs/dbraw/zinc/28/49/21/933284921.db2.gz QBYFJYMQNMISGK-UHFFFAOYSA-N 2 2 376.394 3.853 20 0 GHADLP CCc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1CC ZINC000561138678 933906613 /nfs/dbraw/zinc/90/66/13/933906613.db2.gz UFNZTJMUAQZAIX-UHFFFAOYSA-N 2 2 386.584 3.883 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000561194677 933946905 /nfs/dbraw/zinc/94/69/05/933946905.db2.gz SFKOOLXFCAZFCG-NSHGMRRFSA-N 2 2 382.552 3.804 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000561194677 933946910 /nfs/dbraw/zinc/94/69/10/933946910.db2.gz SFKOOLXFCAZFCG-NSHGMRRFSA-N 2 2 382.552 3.804 20 0 GHADLP Cc1ccc(NC(=[NH2+])NCCc2cn3cc(Br)cc(C)c3[nH+]2)cc1 ZINC001118351952 934142994 /nfs/dbraw/zinc/14/29/94/934142994.db2.gz OAGPIZAEWRMHQZ-UHFFFAOYSA-N 2 2 386.297 3.893 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000561545776 934259719 /nfs/dbraw/zinc/25/97/19/934259719.db2.gz FSCXEGAVGABVOF-JOCHJYFZSA-N 2 2 382.552 3.534 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000561545776 934259720 /nfs/dbraw/zinc/25/97/20/934259720.db2.gz FSCXEGAVGABVOF-JOCHJYFZSA-N 2 2 382.552 3.534 20 0 GHADLP Cn1c(C(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)ccc1[C@@H]1CCCC[NH2+]1 ZINC001122457437 934874672 /nfs/dbraw/zinc/87/46/72/934874672.db2.gz QFSLNLDMDBRYGX-MSOLQXFVSA-N 2 2 397.567 3.811 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(Br)cc(Br)c1 ZINC001137846857 935821699 /nfs/dbraw/zinc/82/16/99/935821699.db2.gz XKTDYXDUGPZFMD-UHFFFAOYSA-N 2 2 387.119 3.930 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(Br)cc(Br)c1 ZINC001137846857 935821703 /nfs/dbraw/zinc/82/17/03/935821703.db2.gz XKTDYXDUGPZFMD-UHFFFAOYSA-N 2 2 387.119 3.930 20 0 GHADLP Fc1cc(F)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)cc1F ZINC001137889625 935848820 /nfs/dbraw/zinc/84/88/20/935848820.db2.gz IKRMLLSARHMGJC-UHFFFAOYSA-N 2 2 390.449 3.971 20 0 GHADLP Fc1cc(F)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cc1F ZINC001137889625 935848822 /nfs/dbraw/zinc/84/88/22/935848822.db2.gz IKRMLLSARHMGJC-UHFFFAOYSA-N 2 2 390.449 3.971 20 0 GHADLP C[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001575510696 949125254 /nfs/dbraw/zinc/12/52/54/949125254.db2.gz GZYHJIHGZLSQOA-MAUKXSAKSA-N 2 2 379.512 3.759 20 0 GHADLP C[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001575510696 949125265 /nfs/dbraw/zinc/12/52/65/949125265.db2.gz GZYHJIHGZLSQOA-MAUKXSAKSA-N 2 2 379.512 3.759 20 0 GHADLP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000468669506 1015888757 /nfs/dbraw/zinc/88/87/57/1015888757.db2.gz AEIOQXRFTDNNIG-RTBURBONSA-N 2 2 398.954 3.598 20 0 GHADLP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000468669506 1015888762 /nfs/dbraw/zinc/88/87/62/1015888762.db2.gz AEIOQXRFTDNNIG-RTBURBONSA-N 2 2 398.954 3.598 20 0 GHADLP Fc1cccc2c(Cl)nc(C(F)(F)n3c[nH+]cc3C3CC[NH2+]CC3)nc12 ZINC001155052400 1032396312 /nfs/dbraw/zinc/39/63/12/1032396312.db2.gz BNGUVZXKTOMULS-UHFFFAOYSA-N 2 2 381.789 3.683 20 0 GHADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000562669191 1018514146 /nfs/dbraw/zinc/51/41/46/1018514146.db2.gz AQKIUXWTWHMJEH-MRXNPFEDSA-N 2 2 389.931 3.542 20 0 GHADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000562669191 1018514160 /nfs/dbraw/zinc/51/41/60/1018514160.db2.gz AQKIUXWTWHMJEH-MRXNPFEDSA-N 2 2 389.931 3.542 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)nc1C1CC1 ZINC000574627361 1019895650 /nfs/dbraw/zinc/89/56/50/1019895650.db2.gz ROTDDEVGCHRMCH-OXJNMPFZSA-N 2 2 385.552 3.878 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(OC(C)C)cc3)CC2)C1 ZINC001204453782 1032895598 /nfs/dbraw/zinc/89/55/98/1032895598.db2.gz SUEDPONKQJSHNV-HXUWFJFHSA-N 2 2 388.552 3.713 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(OC(C)C)cc3)CC2)C1 ZINC001204453782 1032895615 /nfs/dbraw/zinc/89/56/15/1032895615.db2.gz SUEDPONKQJSHNV-HXUWFJFHSA-N 2 2 388.552 3.713 20 0 GHADLP C[NH+](C)Cc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)o1 ZINC001156164930 1032908529 /nfs/dbraw/zinc/90/85/29/1032908529.db2.gz LYUBFEURISOGNO-UHFFFAOYSA-N 2 2 386.883 3.534 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc(C(F)(F)F)ccc4F)C[C@@H]3C2)cn1 ZINC001204476215 1032913584 /nfs/dbraw/zinc/91/35/84/1032913584.db2.gz ZIAPIZZSTUKYAZ-WBVHZDCISA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc(C(F)(F)F)ccc4F)C[C@@H]3C2)cn1 ZINC001204476215 1032913586 /nfs/dbraw/zinc/91/35/86/1032913586.db2.gz ZIAPIZZSTUKYAZ-WBVHZDCISA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc(C(F)(F)F)ccc4F)C[C@@H]3C2)cn1 ZINC001204476215 1032913596 /nfs/dbraw/zinc/91/35/96/1032913596.db2.gz ZIAPIZZSTUKYAZ-WBVHZDCISA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc(C(F)(F)F)ccc4F)C[C@@H]3C2)cn1 ZINC001204476215 1032913602 /nfs/dbraw/zinc/91/36/02/1032913602.db2.gz ZIAPIZZSTUKYAZ-WBVHZDCISA-N 2 2 396.432 3.532 20 0 GHADLP CCCc1ccc(CCCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000648780179 1021156242 /nfs/dbraw/zinc/15/62/42/1021156242.db2.gz WYLOMJREAOFAOG-QHCPKHFHSA-N 2 2 385.596 3.589 20 0 GHADLP CCCc1ccc(CCCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000648780179 1021156250 /nfs/dbraw/zinc/15/62/50/1021156250.db2.gz WYLOMJREAOFAOG-QHCPKHFHSA-N 2 2 385.596 3.589 20 0 GHADLP Clc1ccc(Cl)c(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001204564793 1032974339 /nfs/dbraw/zinc/97/43/39/1032974339.db2.gz MHBRERAYZUWCOH-UHFFFAOYSA-N 2 2 379.335 3.844 20 0 GHADLP Clc1ccc(Cl)c(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001204564793 1032974345 /nfs/dbraw/zinc/97/43/45/1032974345.db2.gz MHBRERAYZUWCOH-UHFFFAOYSA-N 2 2 379.335 3.844 20 0 GHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001156318777 1032983214 /nfs/dbraw/zinc/98/32/14/1032983214.db2.gz UNSDPBCYBBAOCG-IQEGNBBESA-N 2 2 391.515 3.899 20 0 GHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001156318777 1032983224 /nfs/dbraw/zinc/98/32/24/1032983224.db2.gz UNSDPBCYBBAOCG-IQEGNBBESA-N 2 2 391.515 3.899 20 0 GHADLP CC[NH+]1C[C@H]2C[NH+](Cc3cn(C(=O)OC(C)(C)C)c4cc(OC)ccc34)C[C@@H]2C1 ZINC001140371281 1021513637 /nfs/dbraw/zinc/51/36/37/1021513637.db2.gz LSOBPZFMPSPMLM-IRXDYDNUSA-N 2 2 399.535 3.817 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2cnc3ccc(Br)cn23)C2CCCC2)CC1 ZINC001140373649 1021517393 /nfs/dbraw/zinc/51/73/93/1021517393.db2.gz BTRPGURZMMOBJM-UHFFFAOYSA-N 2 2 391.357 3.936 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2cnc3ccc(Br)cn23)C2CCCC2)CC1 ZINC001140373649 1021517405 /nfs/dbraw/zinc/51/74/05/1021517405.db2.gz BTRPGURZMMOBJM-UHFFFAOYSA-N 2 2 391.357 3.936 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C(F)(F)F)cn1 ZINC000902920101 1021550648 /nfs/dbraw/zinc/55/06/48/1021550648.db2.gz BNVRAMCWXBOYQO-CZUORRHYSA-N 2 2 379.430 3.809 20 0 GHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903896096 1021648612 /nfs/dbraw/zinc/64/86/12/1021648612.db2.gz SEZXPMWACHZYDG-FUHWJXTLSA-N 2 2 396.564 3.828 20 0 GHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903896096 1021648621 /nfs/dbraw/zinc/64/86/21/1021648621.db2.gz SEZXPMWACHZYDG-FUHWJXTLSA-N 2 2 396.564 3.828 20 0 GHADLP CCc1nn(C)cc1C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000678829844 1021929587 /nfs/dbraw/zinc/92/95/87/1021929587.db2.gz RGJJRBPYCNLIJG-UHFFFAOYSA-N 2 2 384.572 3.695 20 0 GHADLP CCc1nn(C)cc1C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000678829844 1021929589 /nfs/dbraw/zinc/92/95/89/1021929589.db2.gz RGJJRBPYCNLIJG-UHFFFAOYSA-N 2 2 384.572 3.695 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4cc(F)ccc4C)CC[C@@H]3C2)cs1 ZINC001140591730 1022026377 /nfs/dbraw/zinc/02/63/77/1022026377.db2.gz IRVUXCXFQSVDCV-DYESRHJHSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4cc(F)ccc4C)CC[C@@H]3C2)cs1 ZINC001140591730 1022026387 /nfs/dbraw/zinc/02/63/87/1022026387.db2.gz IRVUXCXFQSVDCV-DYESRHJHSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4cc(F)ccc4C)CC[C@@H]3C2)cs1 ZINC001140591730 1022026400 /nfs/dbraw/zinc/02/64/00/1022026400.db2.gz IRVUXCXFQSVDCV-DYESRHJHSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4cc(F)ccc4C)CC[C@@H]3C2)cs1 ZINC001140591730 1022026414 /nfs/dbraw/zinc/02/64/14/1022026414.db2.gz IRVUXCXFQSVDCV-DYESRHJHSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4coc5ccccc45)CC[C@@H]3C2)cs1 ZINC001140785627 1022525388 /nfs/dbraw/zinc/52/53/88/1022525388.db2.gz PHRIXYZMDRZGCX-VGOFRKELSA-N 2 2 397.544 3.921 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4coc5ccccc45)CC[C@@H]3C2)cs1 ZINC001140785627 1022525401 /nfs/dbraw/zinc/52/54/01/1022525401.db2.gz PHRIXYZMDRZGCX-VGOFRKELSA-N 2 2 397.544 3.921 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4coc5ccccc45)CC[C@@H]3C2)cs1 ZINC001140785627 1022525413 /nfs/dbraw/zinc/52/54/13/1022525413.db2.gz PHRIXYZMDRZGCX-VGOFRKELSA-N 2 2 397.544 3.921 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4coc5ccccc45)CC[C@@H]3C2)cs1 ZINC001140785627 1022525421 /nfs/dbraw/zinc/52/54/21/1022525421.db2.gz PHRIXYZMDRZGCX-VGOFRKELSA-N 2 2 397.544 3.921 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(O)cc(Cl)c1)CC2 ZINC001140788904 1022532105 /nfs/dbraw/zinc/53/21/05/1022532105.db2.gz YLXJONGPSHHDGR-GOSISDBHSA-N 2 2 390.911 3.894 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(O)cc(Cl)c1)CC2 ZINC001140788904 1022532120 /nfs/dbraw/zinc/53/21/20/1022532120.db2.gz YLXJONGPSHHDGR-GOSISDBHSA-N 2 2 390.911 3.894 20 0 GHADLP COc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c(Cl)c1 ZINC001140818911 1022621528 /nfs/dbraw/zinc/62/15/28/1022621528.db2.gz DAGAACCJSNTRRW-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP COc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c(Cl)c1 ZINC001140818911 1022621530 /nfs/dbraw/zinc/62/15/30/1022621530.db2.gz DAGAACCJSNTRRW-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c(Cl)c1 ZINC001140819413 1022624234 /nfs/dbraw/zinc/62/42/34/1022624234.db2.gz VNFXDJKCBPTKPP-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c(Cl)c1 ZINC001140819413 1022624246 /nfs/dbraw/zinc/62/42/46/1022624246.db2.gz VNFXDJKCBPTKPP-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c(Cl)c1 ZINC001140819413 1022624255 /nfs/dbraw/zinc/62/42/55/1022624255.db2.gz VNFXDJKCBPTKPP-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c(Cl)c1 ZINC001140819413 1022624265 /nfs/dbraw/zinc/62/42/65/1022624265.db2.gz VNFXDJKCBPTKPP-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(F)c(C(F)(F)F)c(F)c1)CC2 ZINC001140880303 1022781079 /nfs/dbraw/zinc/78/10/79/1022781079.db2.gz LOXDCVKSQGRYLZ-UHFFFAOYSA-N 2 2 377.357 3.614 20 0 GHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000754822774 1022914185 /nfs/dbraw/zinc/91/41/85/1022914185.db2.gz BZBOJQIPIQSDGH-INIZCTEOSA-N 2 2 393.322 3.975 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000754897334 1022955879 /nfs/dbraw/zinc/95/58/79/1022955879.db2.gz FXOQGPJUIMSDEX-UYAOXDASSA-N 2 2 381.923 3.607 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000754897334 1022955884 /nfs/dbraw/zinc/95/58/84/1022955884.db2.gz FXOQGPJUIMSDEX-UYAOXDASSA-N 2 2 381.923 3.607 20 0 GHADLP CCCCC[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755054359 1023048129 /nfs/dbraw/zinc/04/81/29/1023048129.db2.gz SALHMTPQYCLOHA-JBACZVJFSA-N 2 2 380.621 3.934 20 0 GHADLP CCCCC[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755054359 1023048144 /nfs/dbraw/zinc/04/81/44/1023048144.db2.gz SALHMTPQYCLOHA-JBACZVJFSA-N 2 2 380.621 3.934 20 0 GHADLP CN(C(=O)/C=C\c1ccsc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755203062 1023124369 /nfs/dbraw/zinc/12/43/69/1023124369.db2.gz DKWAUFCCDJEEFX-NNKPGIQBSA-N 2 2 375.582 3.557 20 0 GHADLP CN(C(=O)/C=C\c1ccsc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755203062 1023124374 /nfs/dbraw/zinc/12/43/74/1023124374.db2.gz DKWAUFCCDJEEFX-NNKPGIQBSA-N 2 2 375.582 3.557 20 0 GHADLP CN(C(=O)/C=C/c1ccccc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755216027 1023132296 /nfs/dbraw/zinc/13/22/96/1023132296.db2.gz ZFXSHTQMUKCHPD-ITWZMISCSA-N 2 2 387.543 3.635 20 0 GHADLP CN(C(=O)/C=C/c1ccccc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755216027 1023132306 /nfs/dbraw/zinc/13/23/06/1023132306.db2.gz ZFXSHTQMUKCHPD-ITWZMISCSA-N 2 2 387.543 3.635 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3ncn(-c4cccc(Cl)c4)c3=S)C2)CC1 ZINC000755776275 1023371911 /nfs/dbraw/zinc/37/19/11/1023371911.db2.gz ZQNGVWLWLJSOJL-MRXNPFEDSA-N 2 2 391.972 3.678 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3ncn(-c4cccc(Cl)c4)c3=S)C2)CC1 ZINC000755776275 1023371916 /nfs/dbraw/zinc/37/19/16/1023371916.db2.gz ZQNGVWLWLJSOJL-MRXNPFEDSA-N 2 2 391.972 3.678 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3nc(C4CC4)n(-c4ccccc4)c3=S)C2)CC1 ZINC000755779071 1023373439 /nfs/dbraw/zinc/37/34/39/1023373439.db2.gz QCVNXWBVHZNAHE-LJQANCHMSA-N 2 2 397.592 3.902 20 0 GHADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3nc(C4CC4)n(-c4ccccc4)c3=S)C2)CC1 ZINC000755779071 1023373452 /nfs/dbraw/zinc/37/34/52/1023373452.db2.gz QCVNXWBVHZNAHE-LJQANCHMSA-N 2 2 397.592 3.902 20 0 GHADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C)CCc3ccc(OC)c(O)c3)cc2)CC1 ZINC000756081837 1023513875 /nfs/dbraw/zinc/51/38/75/1023513875.db2.gz GDYXHVXIGFITRM-SFHVURJKSA-N 2 2 383.536 3.976 20 0 GHADLP C[NH2+][C@@H]1CCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001156659641 1033163223 /nfs/dbraw/zinc/16/32/23/1033163223.db2.gz IZPYNVIFRNXZDP-KDOFPFPSSA-N 2 2 385.581 3.558 20 0 GHADLP CN(C(=O)c1ccc(CF)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831164589 1024396315 /nfs/dbraw/zinc/39/63/15/1024396315.db2.gz LHLFXZSUZTWTMM-NHCUHLMSSA-N 2 2 375.532 3.565 20 0 GHADLP CN(C(=O)c1ccc(CF)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831164589 1024396337 /nfs/dbraw/zinc/39/63/37/1024396337.db2.gz LHLFXZSUZTWTMM-NHCUHLMSSA-N 2 2 375.532 3.565 20 0 GHADLP Cn1c2ccccc2nc1C[N@@H+]1C[C@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138379383 1024746599 /nfs/dbraw/zinc/74/65/99/1024746599.db2.gz PKPMCBYYBUSNFP-SYYKKAFVSA-N 2 2 389.547 3.701 20 0 GHADLP Cn1c2ccccc2nc1C[N@H+]1C[C@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138379383 1024746609 /nfs/dbraw/zinc/74/66/09/1024746609.db2.gz PKPMCBYYBUSNFP-SYYKKAFVSA-N 2 2 389.547 3.701 20 0 GHADLP Cn1c2ccccc2nc1C[NH+]1C[C@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138379383 1024746615 /nfs/dbraw/zinc/74/66/15/1024746615.db2.gz PKPMCBYYBUSNFP-SYYKKAFVSA-N 2 2 389.547 3.701 20 0 GHADLP Cn1c2ccccc2nc1C[NH+]1C[C@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138379383 1024746624 /nfs/dbraw/zinc/74/66/24/1024746624.db2.gz PKPMCBYYBUSNFP-SYYKKAFVSA-N 2 2 389.547 3.701 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001138508354 1024945300 /nfs/dbraw/zinc/94/53/00/1024945300.db2.gz VMDBRMUGAIXWIZ-OAQYLSRUSA-N 2 2 376.504 3.905 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001138508354 1024945308 /nfs/dbraw/zinc/94/53/08/1024945308.db2.gz VMDBRMUGAIXWIZ-OAQYLSRUSA-N 2 2 376.504 3.905 20 0 GHADLP CCCc1ccc(C[N@@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)s1 ZINC001138526436 1024965387 /nfs/dbraw/zinc/96/53/87/1024965387.db2.gz UTGVEQIJTOOSCQ-UHFFFAOYSA-N 2 2 388.581 3.503 20 0 GHADLP CCCc1ccc(C[N@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)s1 ZINC001138526436 1024965391 /nfs/dbraw/zinc/96/53/91/1024965391.db2.gz UTGVEQIJTOOSCQ-UHFFFAOYSA-N 2 2 388.581 3.503 20 0 GHADLP CCCc1ccc(C[NH+]2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)s1 ZINC001138526436 1024965394 /nfs/dbraw/zinc/96/53/94/1024965394.db2.gz UTGVEQIJTOOSCQ-UHFFFAOYSA-N 2 2 388.581 3.503 20 0 GHADLP CCCc1ccc(C[NH+]2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)s1 ZINC001138526436 1024965398 /nfs/dbraw/zinc/96/53/98/1024965398.db2.gz UTGVEQIJTOOSCQ-UHFFFAOYSA-N 2 2 388.581 3.503 20 0 GHADLP CCOC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)Cc2cnn(CC)c21 ZINC001138543262 1024986184 /nfs/dbraw/zinc/98/61/84/1024986184.db2.gz QBWLTSYMIPRTDZ-HXUWFJFHSA-N 2 2 379.508 3.533 20 0 GHADLP CCOC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)Cc2cnn(CC)c21 ZINC001138543262 1024986189 /nfs/dbraw/zinc/98/61/89/1024986189.db2.gz QBWLTSYMIPRTDZ-HXUWFJFHSA-N 2 2 379.508 3.533 20 0 GHADLP FC(F)(F)c1ccc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)nn1 ZINC001141500231 1025280639 /nfs/dbraw/zinc/28/06/39/1025280639.db2.gz DNWLUDBKEOZZOP-IXIUHKBRSA-N 2 2 392.469 3.890 20 0 GHADLP FC(F)(F)c1ccc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)nn1 ZINC001141500231 1025280648 /nfs/dbraw/zinc/28/06/48/1025280648.db2.gz DNWLUDBKEOZZOP-IXIUHKBRSA-N 2 2 392.469 3.890 20 0 GHADLP FC(F)(F)c1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)nn1 ZINC001141500231 1025280656 /nfs/dbraw/zinc/28/06/56/1025280656.db2.gz DNWLUDBKEOZZOP-IXIUHKBRSA-N 2 2 392.469 3.890 20 0 GHADLP FC(F)(F)c1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)nn1 ZINC001141500231 1025280669 /nfs/dbraw/zinc/28/06/69/1025280669.db2.gz DNWLUDBKEOZZOP-IXIUHKBRSA-N 2 2 392.469 3.890 20 0 GHADLP Cc1nc(N2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)c(C)c(C)[nH+]1 ZINC001162057122 1025573175 /nfs/dbraw/zinc/57/31/75/1025573175.db2.gz XFAUUFSWSSDFOV-UHFFFAOYSA-N 2 2 378.442 3.961 20 0 GHADLP c1ccc(-c2nc3ccc(CNc4ccc(N5CC[NH2+]CC5)c[nH+]4)cc3o2)cc1 ZINC001162595951 1025815542 /nfs/dbraw/zinc/81/55/42/1025815542.db2.gz AQPUMMIWVZWQAZ-UHFFFAOYSA-N 2 2 385.471 3.912 20 0 GHADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001139060398 1025852185 /nfs/dbraw/zinc/85/21/85/1025852185.db2.gz UANCBLHIKIXMBY-UHFFFAOYSA-N 3 2 385.596 3.748 20 0 GHADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001139060398 1025852209 /nfs/dbraw/zinc/85/22/09/1025852209.db2.gz UANCBLHIKIXMBY-UHFFFAOYSA-N 3 2 385.596 3.748 20 0 GHADLP COc1ccc2c(c1)c(C[NH+]1C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C1)cn2C ZINC001139147435 1025962073 /nfs/dbraw/zinc/96/20/73/1025962073.db2.gz XZVSPOQVKBDWSM-IRXDYDNUSA-N 2 2 381.545 3.812 20 0 GHADLP c1[nH+]c2cc(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)ccc2n1-c1ccccc1 ZINC001162966093 1025991095 /nfs/dbraw/zinc/99/10/95/1025991095.db2.gz QNIBOIAQINGIHC-FQEVSTJZSA-N 2 2 376.504 3.986 20 0 GHADLP Clc1ccc(-c2cn3cc(NCC[C@@H]4CCOC45C[NH2+]C5)ccc3[nH+]2)cc1 ZINC001163094242 1026038980 /nfs/dbraw/zinc/03/89/80/1026038980.db2.gz IDUOGOMHRRVTEW-MRXNPFEDSA-N 2 2 382.895 3.835 20 0 GHADLP Clc1ccc(-c2cn3cc(NCC[C@H]4CCOC45C[NH2+]C5)ccc3[nH+]2)cc1 ZINC001163094239 1026039550 /nfs/dbraw/zinc/03/95/50/1026039550.db2.gz IDUOGOMHRRVTEW-INIZCTEOSA-N 2 2 382.895 3.835 20 0 GHADLP Cn1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c2cc(Br)ccc21 ZINC001139216743 1026069125 /nfs/dbraw/zinc/06/91/25/1026069125.db2.gz PHSWBISQTJDVQI-UHFFFAOYSA-N 2 2 385.309 3.658 20 0 GHADLP FC(F)(F)Oc1ccc(-c2cc[nH+]c(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001163163446 1026072269 /nfs/dbraw/zinc/07/22/69/1026072269.db2.gz JXXKGFFVFDQQLK-KBAYOESNSA-N 2 2 393.409 3.684 20 0 GHADLP COc1ccc2c(c1)c(C[N@H+](C)C1CC[NH+](C)CC1)cn2C(=O)OC(C)(C)C ZINC001139294866 1026146285 /nfs/dbraw/zinc/14/62/85/1026146285.db2.gz JUYXKFYURWIHEI-UHFFFAOYSA-N 2 2 387.524 3.959 20 0 GHADLP COc1ccc2c(c1)c(C[N@@H+](C)C1CC[NH+](C)CC1)cn2C(=O)OC(C)(C)C ZINC001139294866 1026146295 /nfs/dbraw/zinc/14/62/95/1026146295.db2.gz JUYXKFYURWIHEI-UHFFFAOYSA-N 2 2 387.524 3.959 20 0 GHADLP CS(=O)(=O)c1ccc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC001139363590 1026237964 /nfs/dbraw/zinc/23/79/64/1026237964.db2.gz HCIOYCRQBJCAIW-UHFFFAOYSA-N 2 2 395.528 3.655 20 0 GHADLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1N[C@H](c1ccccc1)c1ccncc1 ZINC001164068187 1026401243 /nfs/dbraw/zinc/40/12/43/1026401243.db2.gz NWKVOGIKFRDCBU-OAQYLSRUSA-N 2 2 388.519 3.557 20 0 GHADLP C[NH+](C)C1(CNc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC[NH+](C)CC1 ZINC001164206848 1026452335 /nfs/dbraw/zinc/45/23/35/1026452335.db2.gz HGJZHSWZHPURCB-UHFFFAOYSA-N 2 2 398.942 3.716 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnc4c(c3)OCCO4)C[C@@H]21 ZINC001139735321 1026576937 /nfs/dbraw/zinc/57/69/37/1026576937.db2.gz XEWQQSSBNDYNMN-YSIASYRMSA-N 2 2 399.560 3.647 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnc4c(c3)OCCO4)C[C@@H]21 ZINC001139735321 1026576946 /nfs/dbraw/zinc/57/69/46/1026576946.db2.gz XEWQQSSBNDYNMN-YSIASYRMSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cnc4c(c3)OCCO4)C[C@@H]21 ZINC001139735321 1026576950 /nfs/dbraw/zinc/57/69/50/1026576950.db2.gz XEWQQSSBNDYNMN-YSIASYRMSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc4c(c3)OCCO4)C[C@@H]21 ZINC001139735321 1026576952 /nfs/dbraw/zinc/57/69/52/1026576952.db2.gz XEWQQSSBNDYNMN-YSIASYRMSA-N 2 2 399.560 3.647 20 0 GHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001165155019 1026637391 /nfs/dbraw/zinc/63/73/91/1026637391.db2.gz RGXIMURLESEVKO-BQYQJAHWSA-N 2 2 391.515 3.603 20 0 GHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001165155019 1026637396 /nfs/dbraw/zinc/63/73/96/1026637396.db2.gz RGXIMURLESEVKO-BQYQJAHWSA-N 2 2 391.515 3.603 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](Cc3sc(-c4ccccc4)nc3C)CC2)c1 ZINC001139825013 1026645143 /nfs/dbraw/zinc/64/51/43/1026645143.db2.gz TVMNPVHWDMEWPL-UHFFFAOYSA-N 2 2 380.517 3.844 20 0 GHADLP Cc1cc(C)[nH+]c(N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)c1 ZINC001165319825 1026702273 /nfs/dbraw/zinc/70/22/73/1026702273.db2.gz QDJNODNOVBJZKD-HNNXBMFYSA-N 2 2 387.281 3.687 20 0 GHADLP Cc1[nH+]c2c(n1-c1nc(-c3ccccc3F)nc3ccc(C)cc31)CC[NH2+]CC2 ZINC001165352522 1026710784 /nfs/dbraw/zinc/71/07/84/1026710784.db2.gz AKRZTNALMVZCKA-UHFFFAOYSA-N 2 2 387.462 3.927 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001140020969 1026805352 /nfs/dbraw/zinc/80/53/52/1026805352.db2.gz FZUVXJUWVMCTCQ-OALUTQOASA-N 2 2 382.508 3.622 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001140020969 1026805360 /nfs/dbraw/zinc/80/53/60/1026805360.db2.gz FZUVXJUWVMCTCQ-OALUTQOASA-N 2 2 382.508 3.622 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001140026572 1026815134 /nfs/dbraw/zinc/81/51/34/1026815134.db2.gz MHOYSQRXTULNPK-SFHVURJKSA-N 2 2 384.524 3.917 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001140026572 1026815144 /nfs/dbraw/zinc/81/51/44/1026815144.db2.gz MHOYSQRXTULNPK-SFHVURJKSA-N 2 2 384.524 3.917 20 0 GHADLP C[NH+]1CCN(C2C[NH+](Cc3ccc(-c4ccccc4C(F)(F)F)cc3)C2)CC1 ZINC001140050497 1026831243 /nfs/dbraw/zinc/83/12/43/1026831243.db2.gz NEEBSMKIENWFFW-UHFFFAOYSA-N 2 2 389.465 3.804 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cc(O)ccc4F)CC3)C2)cc1 ZINC001140048119 1026831303 /nfs/dbraw/zinc/83/13/03/1026831303.db2.gz SZEAXSOREFERKH-UHFFFAOYSA-N 2 2 384.495 3.707 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc(O)ccc4F)CC3)C2)cc1 ZINC001140048119 1026831308 /nfs/dbraw/zinc/83/13/08/1026831308.db2.gz SZEAXSOREFERKH-UHFFFAOYSA-N 2 2 384.495 3.707 20 0 GHADLP Nc1cc[nH+]cc1C[NH+]1CCC(c2nc3ccc(-c4ccsc4)cn3n2)CC1 ZINC001209735003 1027129496 /nfs/dbraw/zinc/12/94/96/1027129496.db2.gz UWZJTQXDEPRJPX-UHFFFAOYSA-N 2 2 390.516 3.645 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4ccc(C)cc4C)CC[C@@H]3C2)cs1 ZINC001203734867 1027562012 /nfs/dbraw/zinc/56/20/12/1027562012.db2.gz XBDRDXHVLNXRON-IFMALSPDSA-N 2 2 385.577 3.791 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4ccc(C)cc4C)CC[C@@H]3C2)cs1 ZINC001203734867 1027562021 /nfs/dbraw/zinc/56/20/21/1027562021.db2.gz XBDRDXHVLNXRON-IFMALSPDSA-N 2 2 385.577 3.791 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4ccc(C)cc4C)CC[C@@H]3C2)cs1 ZINC001203734867 1027562034 /nfs/dbraw/zinc/56/20/34/1027562034.db2.gz XBDRDXHVLNXRON-IFMALSPDSA-N 2 2 385.577 3.791 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4ccc(C)cc4C)CC[C@@H]3C2)cs1 ZINC001203734867 1027562048 /nfs/dbraw/zinc/56/20/48/1027562048.db2.gz XBDRDXHVLNXRON-IFMALSPDSA-N 2 2 385.577 3.791 20 0 GHADLP CC[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(=O)OC(C)(C)C ZINC001203751911 1027572915 /nfs/dbraw/zinc/57/29/15/1027572915.db2.gz XUSAMAMNFOQHDF-KRWDZBQOSA-N 2 2 375.557 3.679 20 0 GHADLP COc1ccc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1O ZINC001203869403 1027672519 /nfs/dbraw/zinc/67/25/19/1027672519.db2.gz YHZQSLXJDZSKOC-UHFFFAOYSA-N 2 2 383.879 3.925 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCCCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001203898047 1027691522 /nfs/dbraw/zinc/69/15/22/1027691522.db2.gz YKQGEXRUEATNCQ-NFBKMPQASA-N 2 2 391.559 3.999 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCCCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001203898047 1027691533 /nfs/dbraw/zinc/69/15/33/1027691533.db2.gz YKQGEXRUEATNCQ-NFBKMPQASA-N 2 2 391.559 3.999 20 0 GHADLP COc1cc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc(OC)c1O ZINC001204126107 1027896262 /nfs/dbraw/zinc/89/62/62/1027896262.db2.gz JUFOCIWENBPCKQ-DZCCDHAISA-N 2 2 398.547 3.804 20 0 GHADLP COc1cc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc(OC)c1O ZINC001204126107 1027896275 /nfs/dbraw/zinc/89/62/75/1027896275.db2.gz JUFOCIWENBPCKQ-DZCCDHAISA-N 2 2 398.547 3.804 20 0 GHADLP COc1cc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc(OC)c1O ZINC001204126107 1027896285 /nfs/dbraw/zinc/89/62/85/1027896285.db2.gz JUFOCIWENBPCKQ-DZCCDHAISA-N 2 2 398.547 3.804 20 0 GHADLP COc1cc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc(OC)c1O ZINC001204126107 1027896300 /nfs/dbraw/zinc/89/63/00/1027896300.db2.gz JUFOCIWENBPCKQ-DZCCDHAISA-N 2 2 398.547 3.804 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]cc2-c2nc(-c3ccc(F)c4ccccc34)no2)CC1 ZINC001214672354 1028850861 /nfs/dbraw/zinc/85/08/61/1028850861.db2.gz WPDRPEMIZULBHW-UHFFFAOYSA-N 2 2 389.434 3.843 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)o1 ZINC001142621611 1029167236 /nfs/dbraw/zinc/16/72/36/1029167236.db2.gz PVSGTVYNNCXZRM-SNRMKQJTSA-N 2 2 388.533 3.860 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)o1 ZINC001142621611 1029167241 /nfs/dbraw/zinc/16/72/41/1029167241.db2.gz PVSGTVYNNCXZRM-SNRMKQJTSA-N 2 2 388.533 3.860 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@H]3C2)o1 ZINC001142621611 1029167251 /nfs/dbraw/zinc/16/72/51/1029167251.db2.gz PVSGTVYNNCXZRM-SNRMKQJTSA-N 2 2 388.533 3.860 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)o1 ZINC001142621611 1029167257 /nfs/dbraw/zinc/16/72/57/1029167257.db2.gz PVSGTVYNNCXZRM-SNRMKQJTSA-N 2 2 388.533 3.860 20 0 GHADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001142627604 1029175874 /nfs/dbraw/zinc/17/58/74/1029175874.db2.gz SERYOXITEPFWIF-FGZHOGPDSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001142627604 1029175884 /nfs/dbraw/zinc/17/58/84/1029175884.db2.gz SERYOXITEPFWIF-FGZHOGPDSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001142627604 1029175897 /nfs/dbraw/zinc/17/58/97/1029175897.db2.gz SERYOXITEPFWIF-FGZHOGPDSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001142627604 1029175907 /nfs/dbraw/zinc/17/59/07/1029175907.db2.gz SERYOXITEPFWIF-FGZHOGPDSA-N 2 2 389.559 3.951 20 0 GHADLP Clc1ncc(Br)cc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000842671596 1029475044 /nfs/dbraw/zinc/47/50/44/1029475044.db2.gz VKCWLKZELCXZJI-UHFFFAOYSA-N 2 2 381.705 3.651 20 0 GHADLP CNc1cc(Nc2ccc(N3CCC(NC(=O)OC(C)(C)C)CC3)[nH+]c2)cc[nH+]1 ZINC001216334316 1029607047 /nfs/dbraw/zinc/60/70/47/1029607047.db2.gz ZWJZDCIDZBWBNE-UHFFFAOYSA-N 2 2 398.511 3.755 20 0 GHADLP C[C@H](CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[N@H+](C)Cc1ccccc1 ZINC001221968386 1029910586 /nfs/dbraw/zinc/91/05/86/1029910586.db2.gz XAOQCYJIOKQCFE-MOPGFXCFSA-N 2 2 391.519 3.753 20 0 GHADLP C[C@H](CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[N@@H+](C)Cc1ccccc1 ZINC001221968386 1029910591 /nfs/dbraw/zinc/91/05/91/1029910591.db2.gz XAOQCYJIOKQCFE-MOPGFXCFSA-N 2 2 391.519 3.753 20 0 GHADLP COc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c(Br)c1OC ZINC001222320755 1030069650 /nfs/dbraw/zinc/06/96/50/1030069650.db2.gz MPCZIBPVRSVNSL-SFHVURJKSA-N 2 2 383.330 3.574 20 0 GHADLP COc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(Br)c1OC ZINC001222320755 1030069668 /nfs/dbraw/zinc/06/96/68/1030069668.db2.gz MPCZIBPVRSVNSL-SFHVURJKSA-N 2 2 383.330 3.574 20 0 GHADLP COc1ccc(F)cc1-c1noc(-c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)n1 ZINC001217115937 1030176011 /nfs/dbraw/zinc/17/60/11/1030176011.db2.gz DYYVUYSFCREVAE-UHFFFAOYSA-N 2 2 398.482 3.935 20 0 GHADLP COc1ccc(F)cc1-c1noc(-c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)n1 ZINC001217115937 1030176029 /nfs/dbraw/zinc/17/60/29/1030176029.db2.gz DYYVUYSFCREVAE-UHFFFAOYSA-N 2 2 398.482 3.935 20 0 GHADLP COc1cccc(-c2noc(-c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)n2)c1F ZINC001217115679 1030176290 /nfs/dbraw/zinc/17/62/90/1030176290.db2.gz ACGJJKHMANRTNK-UHFFFAOYSA-N 2 2 398.482 3.935 20 0 GHADLP COc1cccc(-c2noc(-c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)n2)c1F ZINC001217115679 1030176301 /nfs/dbraw/zinc/17/63/01/1030176301.db2.gz ACGJJKHMANRTNK-UHFFFAOYSA-N 2 2 398.482 3.935 20 0 GHADLP [NH3+]CC1(F)CC[NH+](Cc2c(Br)cc(F)cc2Br)CC1 ZINC001222531986 1030183230 /nfs/dbraw/zinc/18/32/30/1030183230.db2.gz IEPVSAZCCNQDCS-UHFFFAOYSA-N 2 2 398.089 3.614 20 0 GHADLP c1ccc(COc2ccnc(C[N@@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)c2)cc1 ZINC001222608541 1030231296 /nfs/dbraw/zinc/23/12/96/1030231296.db2.gz BQYAHKMHXWOIDB-XMMPIXPASA-N 2 2 385.511 3.850 20 0 GHADLP c1ccc(COc2ccnc(C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)c2)cc1 ZINC001222608541 1030231306 /nfs/dbraw/zinc/23/13/06/1030231306.db2.gz BQYAHKMHXWOIDB-XMMPIXPASA-N 2 2 385.511 3.850 20 0 GHADLP Fc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222610246 1030234808 /nfs/dbraw/zinc/23/48/08/1030234808.db2.gz VZFOJMTXDZWYSG-KRWDZBQOSA-N 2 2 380.385 3.913 20 0 GHADLP Fc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222610246 1030234817 /nfs/dbraw/zinc/23/48/17/1030234817.db2.gz VZFOJMTXDZWYSG-KRWDZBQOSA-N 2 2 380.385 3.913 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)c1ccn2c[nH+]cc2c1)c1ccc(Cl)cc1Cl ZINC001151909308 1031048068 /nfs/dbraw/zinc/04/80/68/1031048068.db2.gz PWJYBCICKLDLSX-KRWDZBQOSA-N 2 2 377.275 3.674 20 0 GHADLP Cc1nc(C[N@@H+]2CCCC23CCN(C(=O)c2cc4c[nH+]ccc4[nH]2)CC3)cs1 ZINC001151969011 1031062521 /nfs/dbraw/zinc/06/25/21/1031062521.db2.gz UDQNRKXYWFLXIG-UHFFFAOYSA-N 2 2 395.532 3.599 20 0 GHADLP Cc1nc(C[N@H+]2CCCC23CCN(C(=O)c2cc4c[nH+]ccc4[nH]2)CC3)cs1 ZINC001151969011 1031062538 /nfs/dbraw/zinc/06/25/38/1031062538.db2.gz UDQNRKXYWFLXIG-UHFFFAOYSA-N 2 2 395.532 3.599 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C[NH2+]2)c1 ZINC001218884557 1031132151 /nfs/dbraw/zinc/13/21/51/1031132151.db2.gz WWYVAPJCEBZVHC-WBVHZDCISA-N 2 2 394.441 3.924 20 0 GHADLP CCc1cc(Oc2cccc(NC(=O)C[NH2+]C3CC[NH2+]CC3)c2)ccc1Cl ZINC001219230257 1031315023 /nfs/dbraw/zinc/31/50/23/1031315023.db2.gz IKGBQTKMFBGLQL-UHFFFAOYSA-N 2 2 387.911 3.975 20 0 GHADLP CC(C)C[C@H](C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC001152752314 1031348244 /nfs/dbraw/zinc/34/82/44/1031348244.db2.gz NPNRNWJYMCXYGY-FGZHOGPDSA-N 2 2 382.552 3.983 20 0 GHADLP CC(C)C[C@H](C(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC001152752314 1031348261 /nfs/dbraw/zinc/34/82/61/1031348261.db2.gz NPNRNWJYMCXYGY-FGZHOGPDSA-N 2 2 382.552 3.983 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001461766716 1069733479 /nfs/dbraw/zinc/73/34/79/1069733479.db2.gz QDTQISWISKGCRV-HUUCEWRRSA-N 2 2 376.526 3.526 20 0 GHADLP FC1(F)CCC(CC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC001461814819 1069765180 /nfs/dbraw/zinc/76/51/80/1069765180.db2.gz ZWTGDSBOYYYCHC-UHFFFAOYSA-N 2 2 382.495 3.703 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC001220529631 1031978341 /nfs/dbraw/zinc/97/83/41/1031978341.db2.gz GYHQMJUVJDUWEL-RDTXWAMCSA-N 2 2 398.378 3.882 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CCCCC1 ZINC001154270420 1032014575 /nfs/dbraw/zinc/01/45/75/1032014575.db2.gz PECQRFKKTMQJHK-UHFFFAOYSA-N 2 2 394.563 3.713 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CCCCC1 ZINC001154270420 1032014589 /nfs/dbraw/zinc/01/45/89/1032014589.db2.gz PECQRFKKTMQJHK-UHFFFAOYSA-N 2 2 394.563 3.713 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCCCC2)C[C@H]1C[NH3+] ZINC001205303548 1033350943 /nfs/dbraw/zinc/35/09/43/1033350943.db2.gz HUUGGBKRNJVFGW-DOTOQJQBSA-N 2 2 380.374 3.856 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2N2CCCCC2)C[C@H]1C[NH3+] ZINC001205303548 1033350947 /nfs/dbraw/zinc/35/09/47/1033350947.db2.gz HUUGGBKRNJVFGW-DOTOQJQBSA-N 2 2 380.374 3.856 20 0 GHADLP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001229513004 1033531033 /nfs/dbraw/zinc/53/10/33/1033531033.db2.gz AABJGQHOCPZJIB-IBGZPJMESA-N 2 2 397.567 3.991 20 0 GHADLP [NH3+][C@@H](CC(F)(F)F)c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001206554476 1033905372 /nfs/dbraw/zinc/90/53/72/1033905372.db2.gz GUYCQABZZIHYJD-UONOGXRCSA-N 2 2 381.333 3.560 20 0 GHADLP COc1ccc(CN(c2nc(NC(C)C)c(OC)c[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158156341 1033942607 /nfs/dbraw/zinc/94/26/07/1033942607.db2.gz QAZRIXRQTGQGKG-IYARVYRRSA-N 2 2 399.539 3.591 20 0 GHADLP COc1ccc(-c2cc(C[NH+]3CCC4(CCn5c(C)c[nH+]c54)CC3)no2)cc1 ZINC001206824215 1034002539 /nfs/dbraw/zinc/00/25/39/1034002539.db2.gz RPSVZRHXMNEECZ-UHFFFAOYSA-N 2 2 378.476 3.793 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001207309108 1034257471 /nfs/dbraw/zinc/25/74/71/1034257471.db2.gz HDDUQIQJENJOMV-QGZVFWFLSA-N 2 2 375.513 3.714 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1cccc(Br)c1)C2 ZINC001207506053 1034410484 /nfs/dbraw/zinc/41/04/84/1034410484.db2.gz DGOGMTVMNBQGQT-UHFFFAOYSA-N 2 2 391.357 3.544 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1cccc(Br)c1)C2 ZINC001207506053 1034410493 /nfs/dbraw/zinc/41/04/93/1034410493.db2.gz DGOGMTVMNBQGQT-UHFFFAOYSA-N 2 2 391.357 3.544 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1cccc(Br)c1)C2 ZINC001207506053 1034410504 /nfs/dbraw/zinc/41/05/04/1034410504.db2.gz DGOGMTVMNBQGQT-UHFFFAOYSA-N 2 2 391.357 3.544 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1cccc(Br)c1)C2 ZINC001207506053 1034410511 /nfs/dbraw/zinc/41/05/11/1034410511.db2.gz DGOGMTVMNBQGQT-UHFFFAOYSA-N 2 2 391.357 3.544 20 0 GHADLP COc1c(F)cc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)cc1C(F)(F)F ZINC001159323952 1034545046 /nfs/dbraw/zinc/54/50/46/1034545046.db2.gz UCAIMACVXDENSS-UHFFFAOYSA-N 2 2 384.377 3.919 20 0 GHADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC001207741947 1034552375 /nfs/dbraw/zinc/55/23/75/1034552375.db2.gz MVYYACZMZGZOPP-CEXWTWQISA-N 2 2 385.552 3.550 20 0 GHADLP CC[N@H+](C[C@H]1[C@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)C1CC[NH+](C)CC1 ZINC001207821190 1034597968 /nfs/dbraw/zinc/59/79/68/1034597968.db2.gz HNZJXMXRKLGHEX-WBVHZDCISA-N 2 2 389.531 3.541 20 0 GHADLP CC[N@@H+](C[C@H]1[C@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)C1CC[NH+](C)CC1 ZINC001207821190 1034597974 /nfs/dbraw/zinc/59/79/74/1034597974.db2.gz HNZJXMXRKLGHEX-WBVHZDCISA-N 2 2 389.531 3.541 20 0 GHADLP c1cn(Cc2nnn3c2C[N@H+](Cc2cccc(-c4ccccc4)c2)CCC3)c[nH+]1 ZINC001231508439 1034654158 /nfs/dbraw/zinc/65/41/58/1034654158.db2.gz KLKRXPPMOZBKCA-UHFFFAOYSA-N 2 2 384.487 3.596 20 0 GHADLP c1cn(Cc2nnn3c2C[N@@H+](Cc2cccc(-c4ccccc4)c2)CCC3)c[nH+]1 ZINC001231508439 1034654166 /nfs/dbraw/zinc/65/41/66/1034654166.db2.gz KLKRXPPMOZBKCA-UHFFFAOYSA-N 2 2 384.487 3.596 20 0 GHADLP FC1(F)CC[N@H+](Cc2c[nH]c3cnccc23)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001231517724 1034668453 /nfs/dbraw/zinc/66/84/53/1034668453.db2.gz DNAVWKHIIVKYCW-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[N@@H+](Cc2c[nH]c3cnccc23)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001231517724 1034668458 /nfs/dbraw/zinc/66/84/58/1034668458.db2.gz DNAVWKHIIVKYCW-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2c[nH]c3cnccc23)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001231517724 1034668461 /nfs/dbraw/zinc/66/84/61/1034668461.db2.gz DNAVWKHIIVKYCW-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2c[nH]c3cnccc23)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001231517724 1034668468 /nfs/dbraw/zinc/66/84/68/1034668468.db2.gz DNAVWKHIIVKYCW-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP C[NH+](C)CC1(C[N@@H+]2CCc3c(COCc4ccccn4)cncc3C2)CCCC1 ZINC001208185510 1034783019 /nfs/dbraw/zinc/78/30/19/1034783019.db2.gz PADZBZKYTTYXKZ-UHFFFAOYSA-N 2 2 394.563 3.674 20 0 GHADLP C[NH+](C)CC1(C[N@H+]2CCc3c(COCc4ccccn4)cncc3C2)CCCC1 ZINC001208185510 1034783034 /nfs/dbraw/zinc/78/30/34/1034783034.db2.gz PADZBZKYTTYXKZ-UHFFFAOYSA-N 2 2 394.563 3.674 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccccc4)o3)CC2)C1 ZINC001231813337 1034924458 /nfs/dbraw/zinc/92/44/58/1034924458.db2.gz AFFGOMHGXMSECX-LJQANCHMSA-N 2 2 382.504 3.796 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(-c4ccccc4)o3)CC2)C1 ZINC001231813337 1034924461 /nfs/dbraw/zinc/92/44/61/1034924461.db2.gz AFFGOMHGXMSECX-LJQANCHMSA-N 2 2 382.504 3.796 20 0 GHADLP C[C@H](C[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1)c1cccc2ccccc21 ZINC001208710092 1034988822 /nfs/dbraw/zinc/98/88/22/1034988822.db2.gz OASOQJQKWVYPHD-LJQANCHMSA-N 2 2 385.515 3.943 20 0 GHADLP C[C@H](C[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1)c1cccc2ccccc21 ZINC001208710092 1034988823 /nfs/dbraw/zinc/98/88/23/1034988823.db2.gz OASOQJQKWVYPHD-LJQANCHMSA-N 2 2 385.515 3.943 20 0 GHADLP COc1ccc(CC[NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)cc1OC ZINC001208758184 1035003896 /nfs/dbraw/zinc/00/38/96/1035003896.db2.gz KZCVJLNSJWAOGJ-UHFFFAOYSA-N 2 2 386.511 3.982 20 0 GHADLP COc1ccc(CC[NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)cc1OC ZINC001208758184 1035003907 /nfs/dbraw/zinc/00/39/07/1035003907.db2.gz KZCVJLNSJWAOGJ-UHFFFAOYSA-N 2 2 386.511 3.982 20 0 GHADLP CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)c3csc4c3CC[NH2+]C4)CC2)cc1 ZINC001160595413 1035012586 /nfs/dbraw/zinc/01/25/86/1035012586.db2.gz OJPAFKDZQLEYPW-UHFFFAOYSA-N 2 2 397.588 3.649 20 0 GHADLP C[C@H](C[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1)C(F)(F)F ZINC001208889974 1035076319 /nfs/dbraw/zinc/07/63/19/1035076319.db2.gz CYZVDRCLEKGODM-GDBMZVCRSA-N 2 2 377.401 3.813 20 0 GHADLP C[C@H](C[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1)C(F)(F)F ZINC001208889974 1035076330 /nfs/dbraw/zinc/07/63/30/1035076330.db2.gz CYZVDRCLEKGODM-GDBMZVCRSA-N 2 2 377.401 3.813 20 0 GHADLP C[C@H](C[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1)C(F)(F)F ZINC001208889974 1035076339 /nfs/dbraw/zinc/07/63/39/1035076339.db2.gz CYZVDRCLEKGODM-GDBMZVCRSA-N 2 2 377.401 3.813 20 0 GHADLP C[C@H](C[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1)C(F)(F)F ZINC001208889974 1035076347 /nfs/dbraw/zinc/07/63/47/1035076347.db2.gz CYZVDRCLEKGODM-GDBMZVCRSA-N 2 2 377.401 3.813 20 0 GHADLP c1c2ccncc2[nH]c1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001232094330 1035091469 /nfs/dbraw/zinc/09/14/69/1035091469.db2.gz BNEDAUGRLXFZHB-QPPBQGQZSA-N 2 2 394.563 3.523 20 0 GHADLP c1c2ccncc2[nH]c1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001232094330 1035091475 /nfs/dbraw/zinc/09/14/75/1035091475.db2.gz BNEDAUGRLXFZHB-QPPBQGQZSA-N 2 2 394.563 3.523 20 0 GHADLP c1c2ccncc2[nH]c1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001232094330 1035091484 /nfs/dbraw/zinc/09/14/84/1035091484.db2.gz BNEDAUGRLXFZHB-QPPBQGQZSA-N 2 2 394.563 3.523 20 0 GHADLP c1c2ccncc2[nH]c1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001232094330 1035091494 /nfs/dbraw/zinc/09/14/94/1035091494.db2.gz BNEDAUGRLXFZHB-QPPBQGQZSA-N 2 2 394.563 3.523 20 0 GHADLP CCCCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001160921893 1035093900 /nfs/dbraw/zinc/09/39/00/1035093900.db2.gz PKFCKADYLZLTKJ-KSSFIOAISA-N 2 2 396.457 3.558 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](C[C@H]4CC[N@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208946967 1035116765 /nfs/dbraw/zinc/11/67/65/1035116765.db2.gz SGNZWBPKZBYGPP-JIMJEQGWSA-N 3 2 389.587 3.881 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208946967 1035116767 /nfs/dbraw/zinc/11/67/67/1035116767.db2.gz SGNZWBPKZBYGPP-JIMJEQGWSA-N 3 2 389.587 3.881 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC001232146597 1035125110 /nfs/dbraw/zinc/12/51/10/1035125110.db2.gz VINOZFBTJHKIDZ-UHFFFAOYSA-N 2 2 375.919 3.859 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC001232146597 1035125114 /nfs/dbraw/zinc/12/51/14/1035125114.db2.gz VINOZFBTJHKIDZ-UHFFFAOYSA-N 2 2 375.919 3.859 20 0 GHADLP CCOc1cccc(N2CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208952369 1035126085 /nfs/dbraw/zinc/12/60/85/1035126085.db2.gz JJMYSXRXXKNSEB-QFIPXVFZSA-N 2 2 379.548 3.729 20 0 GHADLP CCOc1cccc(N2CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208952369 1035126088 /nfs/dbraw/zinc/12/60/88/1035126088.db2.gz JJMYSXRXXKNSEB-QFIPXVFZSA-N 2 2 379.548 3.729 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232235719 1035176557 /nfs/dbraw/zinc/17/65/57/1035176557.db2.gz NWIRUUTYTAYPOX-DEOSSOPVSA-N 2 2 381.564 3.859 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232235719 1035176567 /nfs/dbraw/zinc/17/65/67/1035176567.db2.gz NWIRUUTYTAYPOX-DEOSSOPVSA-N 2 2 381.564 3.859 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232235719 1035176571 /nfs/dbraw/zinc/17/65/71/1035176571.db2.gz NWIRUUTYTAYPOX-DEOSSOPVSA-N 2 2 381.564 3.859 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232235719 1035176578 /nfs/dbraw/zinc/17/65/78/1035176578.db2.gz NWIRUUTYTAYPOX-DEOSSOPVSA-N 2 2 381.564 3.859 20 0 GHADLP FC(F)(F)c1cccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001209116184 1035180469 /nfs/dbraw/zinc/18/04/69/1035180469.db2.gz IUOKVOIIYSUOBH-HDICACEKSA-N 2 2 375.438 3.707 20 0 GHADLP FC(F)(F)c1cccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001209116184 1035180473 /nfs/dbraw/zinc/18/04/73/1035180473.db2.gz IUOKVOIIYSUOBH-HDICACEKSA-N 2 2 375.438 3.707 20 0 GHADLP FC(F)(F)c1cccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001209116184 1035180478 /nfs/dbraw/zinc/18/04/78/1035180478.db2.gz IUOKVOIIYSUOBH-HDICACEKSA-N 2 2 375.438 3.707 20 0 GHADLP FC(F)(F)c1cccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001209116184 1035180482 /nfs/dbraw/zinc/18/04/82/1035180482.db2.gz IUOKVOIIYSUOBH-HDICACEKSA-N 2 2 375.438 3.707 20 0 GHADLP COc1cc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)cnc1OC ZINC001209617040 1035331778 /nfs/dbraw/zinc/33/17/78/1035331778.db2.gz VMMMNZDLTLRTBK-ONTIZHBOSA-N 2 2 381.520 3.709 20 0 GHADLP COc1cc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)cnc1OC ZINC001209617040 1035331782 /nfs/dbraw/zinc/33/17/82/1035331782.db2.gz VMMMNZDLTLRTBK-ONTIZHBOSA-N 2 2 381.520 3.709 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)cnc1OC ZINC001209617040 1035331786 /nfs/dbraw/zinc/33/17/86/1035331786.db2.gz VMMMNZDLTLRTBK-ONTIZHBOSA-N 2 2 381.520 3.709 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)cnc1OC ZINC001209617040 1035331792 /nfs/dbraw/zinc/33/17/92/1035331792.db2.gz VMMMNZDLTLRTBK-ONTIZHBOSA-N 2 2 381.520 3.709 20 0 GHADLP CNc1cc(CNC(=O)NCC2([N@H+](C)Cc3ccccc3)CCCCC2)cc[nH+]1 ZINC001248452931 1035874045 /nfs/dbraw/zinc/87/40/45/1035874045.db2.gz CAQLNHRHYMSHNB-UHFFFAOYSA-N 2 2 395.551 3.757 20 0 GHADLP CNc1cc(CNC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)cc[nH+]1 ZINC001248452931 1035874052 /nfs/dbraw/zinc/87/40/52/1035874052.db2.gz CAQLNHRHYMSHNB-UHFFFAOYSA-N 2 2 395.551 3.757 20 0 GHADLP Fc1ccc(C[C@]2(c3nc(-c4ccc(-n5cc[nH+]c5)cc4)no3)CCC[NH2+]2)cc1 ZINC001248615656 1035992354 /nfs/dbraw/zinc/99/23/54/1035992354.db2.gz HYCFKXSFJPPCMZ-QFIPXVFZSA-N 2 2 389.434 3.883 20 0 GHADLP COc1c(Br)cc(F)cc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001243236091 1036072269 /nfs/dbraw/zinc/07/22/69/1036072269.db2.gz DAMOALOFNHOZPS-UHFFFAOYSA-N 2 2 376.229 3.598 20 0 GHADLP C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001462118943 1070009628 /nfs/dbraw/zinc/00/96/28/1070009628.db2.gz RSQRTCHHQZSAKC-VQIMIIECSA-N 2 2 386.458 3.560 20 0 GHADLP C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001462118943 1070009662 /nfs/dbraw/zinc/00/96/62/1070009662.db2.gz RSQRTCHHQZSAKC-VQIMIIECSA-N 2 2 386.458 3.560 20 0 GHADLP CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246242181 1037250926 /nfs/dbraw/zinc/25/09/26/1037250926.db2.gz BWMZIIUXPJKCCB-FQEVSTJZSA-N 2 2 388.552 3.547 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)CO2 ZINC001246250280 1037253588 /nfs/dbraw/zinc/25/35/88/1037253588.db2.gz MAUIXXDYKYTKCQ-ZIFCJYIRSA-N 2 2 387.321 3.836 20 0 GHADLP COC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246347949 1037308131 /nfs/dbraw/zinc/30/81/31/1037308131.db2.gz DCXDKOZMEZSBDC-YOEHRIQHSA-N 2 2 385.335 3.589 20 0 GHADLP COC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246352306 1037309947 /nfs/dbraw/zinc/30/99/47/1037309947.db2.gz QKVGIYVRHUCPDT-KGYZHSKHSA-N 2 2 385.335 3.589 20 0 GHADLP CC(C)[C@H]1C[C@@H]([NH2+]C2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246426391 1037384148 /nfs/dbraw/zinc/38/41/48/1037384148.db2.gz AEHXXGQZYHOQPR-RBUKOAKNSA-N 3 2 383.502 3.736 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246540934 1037473633 /nfs/dbraw/zinc/47/36/33/1037473633.db2.gz UDOMZURWJGPDLY-SCTDSRPQSA-N 2 2 378.488 3.953 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246540934 1037473637 /nfs/dbraw/zinc/47/36/37/1037473637.db2.gz UDOMZURWJGPDLY-SCTDSRPQSA-N 2 2 378.488 3.953 20 0 GHADLP CC(C)C[NH+]1CCC([N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001246617848 1037505157 /nfs/dbraw/zinc/50/51/57/1037505157.db2.gz GYKDQSACYHNJTG-XMMPIXPASA-N 3 2 399.623 3.910 20 0 GHADLP CC(C)C[NH+]1CCC([N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001246617848 1037505179 /nfs/dbraw/zinc/50/51/79/1037505179.db2.gz GYKDQSACYHNJTG-XMMPIXPASA-N 3 2 399.623 3.910 20 0 GHADLP c1ccc([C@@H]2C[C@H]([N@@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246675879 1037544342 /nfs/dbraw/zinc/54/43/42/1037544342.db2.gz YUHDAXHOYKHEOB-ZKGSSEMHSA-N 3 2 375.560 3.733 20 0 GHADLP c1ccc([C@@H]2C[C@H]([N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246675879 1037544357 /nfs/dbraw/zinc/54/43/57/1037544357.db2.gz YUHDAXHOYKHEOB-ZKGSSEMHSA-N 3 2 375.560 3.733 20 0 GHADLP c1ccc(C[C@@H]2C[C@H]([N@H+]3CCO[C@H]4[C@H](OCC5CCCC5)CC[C@@H]43)CC[NH2+]2)cc1 ZINC001246692485 1037551318 /nfs/dbraw/zinc/55/13/18/1037551318.db2.gz HCPZFADSGHEXIZ-NHTNDUFYSA-N 2 2 398.591 3.788 20 0 GHADLP c1ccc(C[C@@H]2C[C@H]([N@@H+]3CCO[C@H]4[C@H](OCC5CCCC5)CC[C@@H]43)CC[NH2+]2)cc1 ZINC001246692485 1037551336 /nfs/dbraw/zinc/55/13/36/1037551336.db2.gz HCPZFADSGHEXIZ-NHTNDUFYSA-N 2 2 398.591 3.788 20 0 GHADLP C[C@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246722214 1037572206 /nfs/dbraw/zinc/57/22/06/1037572206.db2.gz QRPNOUCDWDHEMO-ICSRJNTNSA-N 2 2 386.584 3.889 20 0 GHADLP C[C@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246722214 1037572219 /nfs/dbraw/zinc/57/22/19/1037572219.db2.gz QRPNOUCDWDHEMO-ICSRJNTNSA-N 2 2 386.584 3.889 20 0 GHADLP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC001462198113 1070074267 /nfs/dbraw/zinc/07/42/67/1070074267.db2.gz FDHZOMONSRLPRM-VQTJNVASSA-N 2 2 382.508 3.568 20 0 GHADLP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)C[C@H](CC)[NH2+]1 ZINC001246751289 1037591233 /nfs/dbraw/zinc/59/12/33/1037591233.db2.gz HUXPAKOJTIQZNX-DIJFTKHXSA-N 2 2 375.582 3.876 20 0 GHADLP CC[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)C[C@H](CC)[NH2+]1 ZINC001246751289 1037591249 /nfs/dbraw/zinc/59/12/49/1037591249.db2.gz HUXPAKOJTIQZNX-DIJFTKHXSA-N 2 2 375.582 3.876 20 0 GHADLP CC(C)(C)[C@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246759087 1037602338 /nfs/dbraw/zinc/60/23/38/1037602338.db2.gz PZAXICVWPSAKMO-FCHUYYIVSA-N 3 2 385.596 3.520 20 0 GHADLP CC(C)(C)[C@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246759087 1037602346 /nfs/dbraw/zinc/60/23/46/1037602346.db2.gz PZAXICVWPSAKMO-FCHUYYIVSA-N 3 2 385.596 3.520 20 0 GHADLP FC(F)(F)c1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)nc1 ZINC001246770102 1037613323 /nfs/dbraw/zinc/61/33/23/1037613323.db2.gz NOMJRVPRWFYWOA-RTBURBONSA-N 2 2 390.453 3.716 20 0 GHADLP COc1ccc(Cl)cc1N1CC[NH+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246833391 1037663882 /nfs/dbraw/zinc/66/38/82/1037663882.db2.gz HNEWTGFMRTUZKZ-GOSISDBHSA-N 2 2 377.960 3.926 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[N@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246935179 1037736853 /nfs/dbraw/zinc/73/68/53/1037736853.db2.gz JYFPZCBIOBIQNY-JTSKRJEESA-N 2 2 384.495 3.798 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[N@@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246935179 1037736875 /nfs/dbraw/zinc/73/68/75/1037736875.db2.gz JYFPZCBIOBIQNY-JTSKRJEESA-N 2 2 384.495 3.798 20 0 GHADLP O=C(c1ccccc1)N1CCC[C@H]([N@H+](Cc2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246937187 1037742292 /nfs/dbraw/zinc/74/22/92/1037742292.db2.gz ZYFJZHWCJCSBTE-QFIPXVFZSA-N 2 2 395.522 3.685 20 0 GHADLP O=C(c1ccccc1)N1CCC[C@H]([N@@H+](Cc2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246937187 1037742314 /nfs/dbraw/zinc/74/23/14/1037742314.db2.gz ZYFJZHWCJCSBTE-QFIPXVFZSA-N 2 2 395.522 3.685 20 0 GHADLP Cc1cc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)ncn1 ZINC001246961802 1037782269 /nfs/dbraw/zinc/78/22/69/1037782269.db2.gz AVIMYPHBQHIRGK-SFHLNBCPSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1cc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)ncn1 ZINC001246961802 1037782276 /nfs/dbraw/zinc/78/22/76/1037782276.db2.gz AVIMYPHBQHIRGK-SFHLNBCPSA-N 2 2 384.499 3.569 20 0 GHADLP FC1(F)CN([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC[C@H]1[NH+]1CCCCC1 ZINC001246992850 1037816545 /nfs/dbraw/zinc/81/65/45/1037816545.db2.gz ZRMHMQRGMKACBM-NJDAHSKKSA-N 2 2 377.523 3.545 20 0 GHADLP CCOC(=O)[C@@H]1c2ccc(Cl)cc2CC[N@@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001247003964 1037828746 /nfs/dbraw/zinc/82/87/46/1037828746.db2.gz NLNKDSJOBJYCKZ-BIXGBWIQSA-N 2 2 376.928 3.725 20 0 GHADLP CCOC(=O)[C@@H]1c2ccc(Cl)cc2CC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001247003964 1037828768 /nfs/dbraw/zinc/82/87/68/1037828768.db2.gz NLNKDSJOBJYCKZ-BIXGBWIQSA-N 2 2 376.928 3.725 20 0 GHADLP c1ccc(C[NH+]2CCN(c3ccc4[nH]c(C[C@H]5CCCC[NH2+]5)[nH+]c4c3)CC2)cc1 ZINC001247010367 1037835378 /nfs/dbraw/zinc/83/53/78/1037835378.db2.gz IMOKJJNMBAZEFV-HXUWFJFHSA-N 3 2 389.547 3.570 20 0 GHADLP CSc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cn1 ZINC001232342483 1038119286 /nfs/dbraw/zinc/11/92/86/1038119286.db2.gz CREUVFGNALNCJF-GIVPXCGWSA-N 2 2 399.608 3.682 20 0 GHADLP CSc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cn1 ZINC001232342483 1038119294 /nfs/dbraw/zinc/11/92/94/1038119294.db2.gz CREUVFGNALNCJF-GIVPXCGWSA-N 2 2 399.608 3.682 20 0 GHADLP CSc1cc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cn1 ZINC001232342483 1038119304 /nfs/dbraw/zinc/11/93/04/1038119304.db2.gz CREUVFGNALNCJF-GIVPXCGWSA-N 2 2 399.608 3.682 20 0 GHADLP CSc1cc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cn1 ZINC001232342483 1038119311 /nfs/dbraw/zinc/11/93/11/1038119311.db2.gz CREUVFGNALNCJF-GIVPXCGWSA-N 2 2 399.608 3.682 20 0 GHADLP COc1cc(C)c(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cn1 ZINC001232355568 1038134372 /nfs/dbraw/zinc/13/43/72/1038134372.db2.gz UCPCKDXTYWMCIX-UHFFFAOYSA-N 2 2 382.895 3.922 20 0 GHADLP COc1cc(Cl)ccc1C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001232500270 1038273859 /nfs/dbraw/zinc/27/38/59/1038273859.db2.gz WJHJVRTXYBNPMS-UHFFFAOYSA-N 2 2 388.943 3.713 20 0 GHADLP COc1cc(Cl)ccc1C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001232500270 1038273869 /nfs/dbraw/zinc/27/38/69/1038273869.db2.gz WJHJVRTXYBNPMS-UHFFFAOYSA-N 2 2 388.943 3.713 20 0 GHADLP CN(C)C(=O)C1CC[NH+](C2CC[NH+](Cc3ccc4ccsc4c3)CC2)CC1 ZINC001232614897 1038402815 /nfs/dbraw/zinc/40/28/15/1038402815.db2.gz ZZBSPOBOSYJHQW-UHFFFAOYSA-N 2 2 385.577 3.666 20 0 GHADLP COc1cccc(C)c1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001232622248 1038409580 /nfs/dbraw/zinc/40/95/80/1038409580.db2.gz MRNCQKQNJVVMMP-GIWBLDEGSA-N 2 2 394.563 3.575 20 0 GHADLP COc1cccc(C)c1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001232622248 1038409591 /nfs/dbraw/zinc/40/95/91/1038409591.db2.gz MRNCQKQNJVVMMP-GIWBLDEGSA-N 2 2 394.563 3.575 20 0 GHADLP COc1cccc(C)c1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001232622248 1038409596 /nfs/dbraw/zinc/40/95/96/1038409596.db2.gz MRNCQKQNJVVMMP-GIWBLDEGSA-N 2 2 394.563 3.575 20 0 GHADLP COc1cccc(C)c1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001232622248 1038409605 /nfs/dbraw/zinc/40/96/05/1038409605.db2.gz MRNCQKQNJVVMMP-GIWBLDEGSA-N 2 2 394.563 3.575 20 0 GHADLP OCCc1ccc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC001232777702 1038547953 /nfs/dbraw/zinc/54/79/53/1038547953.db2.gz OKQZIBMHGKOYOR-UHFFFAOYSA-N 2 2 381.907 3.745 20 0 GHADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc(F)c(O)c1F)CC2 ZINC001232935034 1038715321 /nfs/dbraw/zinc/71/53/21/1038715321.db2.gz BGJLODWWGJRVKJ-UHFFFAOYSA-N 2 2 387.474 3.942 20 0 GHADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc(F)c(O)c1F)CC2 ZINC001232935034 1038715326 /nfs/dbraw/zinc/71/53/26/1038715326.db2.gz BGJLODWWGJRVKJ-UHFFFAOYSA-N 2 2 387.474 3.942 20 0 GHADLP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001233094643 1038866623 /nfs/dbraw/zinc/86/66/23/1038866623.db2.gz FDNWYEDEKAREEK-UHFFFAOYSA-N 2 2 377.916 3.916 20 0 GHADLP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001233094643 1038866641 /nfs/dbraw/zinc/86/66/41/1038866641.db2.gz FDNWYEDEKAREEK-UHFFFAOYSA-N 2 2 377.916 3.916 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1n[nH]c3cc(F)ccc31)CC2 ZINC001233121307 1038908234 /nfs/dbraw/zinc/90/82/34/1038908234.db2.gz FVVUIMYPZSIOBN-KRWDZBQOSA-N 2 2 398.482 3.551 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1n[nH]c3cc(F)ccc31)CC2 ZINC001233121307 1038908238 /nfs/dbraw/zinc/90/82/38/1038908238.db2.gz FVVUIMYPZSIOBN-KRWDZBQOSA-N 2 2 398.482 3.551 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(O)c(OCC4CC4)c3)C2)C1 ZINC001233225855 1038985919 /nfs/dbraw/zinc/98/59/19/1038985919.db2.gz RLMMXXSPKUHOQK-HSZRJFAPSA-N 2 2 388.552 3.504 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(O)c(OCC4CC4)c3)C2)C1 ZINC001233225855 1038985923 /nfs/dbraw/zinc/98/59/23/1038985923.db2.gz RLMMXXSPKUHOQK-HSZRJFAPSA-N 2 2 388.552 3.504 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(O)c(OCC4CC4)c3)C2)C1 ZINC001233225855 1038985924 /nfs/dbraw/zinc/98/59/24/1038985924.db2.gz RLMMXXSPKUHOQK-HSZRJFAPSA-N 2 2 388.552 3.504 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(O)c(OCC4CC4)c3)C2)C1 ZINC001233225855 1038985930 /nfs/dbraw/zinc/98/59/30/1038985930.db2.gz RLMMXXSPKUHOQK-HSZRJFAPSA-N 2 2 388.552 3.504 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC001233526438 1039412407 /nfs/dbraw/zinc/41/24/07/1039412407.db2.gz JRQKVJRIEFPSEW-DEOSSOPVSA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC001233526438 1039412416 /nfs/dbraw/zinc/41/24/16/1039412416.db2.gz JRQKVJRIEFPSEW-DEOSSOPVSA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001233526438 1039412426 /nfs/dbraw/zinc/41/24/26/1039412426.db2.gz JRQKVJRIEFPSEW-DEOSSOPVSA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001233526438 1039412434 /nfs/dbraw/zinc/41/24/34/1039412434.db2.gz JRQKVJRIEFPSEW-DEOSSOPVSA-N 2 2 394.515 3.580 20 0 GHADLP CC(C)C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C(=O)Nc1ccc2ccccc2c1 ZINC001253404787 1039603750 /nfs/dbraw/zinc/60/37/50/1039603750.db2.gz HENIYQJYQGBAJD-SFTDATJTSA-N 2 2 385.552 3.532 20 0 GHADLP COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234074668 1039811657 /nfs/dbraw/zinc/81/16/57/1039811657.db2.gz CVHJAPAWBIXIER-GOSISDBHSA-N 2 2 393.487 3.835 20 0 GHADLP COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234074668 1039811675 /nfs/dbraw/zinc/81/16/75/1039811675.db2.gz CVHJAPAWBIXIER-GOSISDBHSA-N 2 2 393.487 3.835 20 0 GHADLP COc1cc(C[NH+]2CCC(CC(=O)OC(C)(C)C)CC2)ccc1-n1cc[nH+]c1 ZINC001234076502 1039817450 /nfs/dbraw/zinc/81/74/50/1039817450.db2.gz YRQSZKYLWOKBTK-UHFFFAOYSA-N 2 2 385.508 3.825 20 0 GHADLP COc1cc(C[NH+]2CCC3(COc4ccccc43)CC2)ccc1-n1cc[nH+]c1 ZINC001234084714 1039823234 /nfs/dbraw/zinc/82/32/34/1039823234.db2.gz IISWMQBXSKFFCI-UHFFFAOYSA-N 2 2 375.472 3.807 20 0 GHADLP COC(=O)c1cc2c(nc1-c1ccsc1)CC[N@H+](Cc1[nH]c(C)[nH+]c1C)CC2 ZINC001234610244 1040166990 /nfs/dbraw/zinc/16/69/90/1040166990.db2.gz SJWQUOMJPCGCHR-UHFFFAOYSA-N 2 2 396.516 3.537 20 0 GHADLP COC(=O)c1cc2c(nc1-c1ccsc1)CC[N@@H+](Cc1[nH]c(C)[nH+]c1C)CC2 ZINC001234610244 1040167003 /nfs/dbraw/zinc/16/70/03/1040167003.db2.gz SJWQUOMJPCGCHR-UHFFFAOYSA-N 2 2 396.516 3.537 20 0 GHADLP OC[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1cccc(Oc3cccc(C(F)(F)F)c3)c1)C2 ZINC001235000195 1040495007 /nfs/dbraw/zinc/49/50/07/1040495007.db2.gz BQCBEWGHDIJXTH-XLIONFOSSA-N 2 2 392.421 3.511 20 0 GHADLP OC[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1cccc(Oc3cccc(C(F)(F)F)c3)c1)C2 ZINC001235000195 1040495015 /nfs/dbraw/zinc/49/50/15/1040495015.db2.gz BQCBEWGHDIJXTH-XLIONFOSSA-N 2 2 392.421 3.511 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[C@@H]([N@@H+]3Cc4ccccc4C[C@@H]3C[NH3+])C2)CC1 ZINC001254742814 1040501768 /nfs/dbraw/zinc/50/17/68/1040501768.db2.gz JLNSSTUPPKVSMO-NHCUHLMSSA-N 2 2 399.579 3.942 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[C@@H]([N@H+]3Cc4ccccc4C[C@@H]3C[NH3+])C2)CC1 ZINC001254742814 1040501788 /nfs/dbraw/zinc/50/17/88/1040501788.db2.gz JLNSSTUPPKVSMO-NHCUHLMSSA-N 2 2 399.579 3.942 20 0 GHADLP COc1ccccc1Oc1cccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001235016195 1040504336 /nfs/dbraw/zinc/50/43/36/1040504336.db2.gz PZUVIWISXVKPQK-HSZRJFAPSA-N 2 2 382.504 3.690 20 0 GHADLP COc1ccccc1Oc1cccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001235016195 1040504354 /nfs/dbraw/zinc/50/43/54/1040504354.db2.gz PZUVIWISXVKPQK-HSZRJFAPSA-N 2 2 382.504 3.690 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1c[nH]c3nc(Cl)ccc13)CC2 ZINC001235019659 1040507797 /nfs/dbraw/zinc/50/77/97/1040507797.db2.gz OSBSQBSLFAJGHW-UHFFFAOYSA-N 2 2 396.922 3.862 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1c[nH]c3nc(Cl)ccc13)CC2 ZINC001235019659 1040507809 /nfs/dbraw/zinc/50/78/09/1040507809.db2.gz OSBSQBSLFAJGHW-UHFFFAOYSA-N 2 2 396.922 3.862 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1ccc(OC)c(C)c1C)CC2 ZINC001235020748 1040512249 /nfs/dbraw/zinc/51/22/49/1040512249.db2.gz YDWSTQKALRFXMW-UHFFFAOYSA-N 2 2 380.532 3.958 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1ccc(OC)c(C)c1C)CC2 ZINC001235020748 1040512267 /nfs/dbraw/zinc/51/22/67/1040512267.db2.gz YDWSTQKALRFXMW-UHFFFAOYSA-N 2 2 380.532 3.958 20 0 GHADLP Fc1ccccc1-c1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c[nH]1 ZINC001235036886 1040530090 /nfs/dbraw/zinc/53/00/90/1040530090.db2.gz ACCRRRUXPDRCFW-KDURUIRLSA-N 2 2 376.479 3.780 20 0 GHADLP Fc1ccccc1-c1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c[nH]1 ZINC001235036886 1040530108 /nfs/dbraw/zinc/53/01/08/1040530108.db2.gz ACCRRRUXPDRCFW-KDURUIRLSA-N 2 2 376.479 3.780 20 0 GHADLP Fc1ccccc1-c1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c[nH]1 ZINC001235036886 1040530117 /nfs/dbraw/zinc/53/01/17/1040530117.db2.gz ACCRRRUXPDRCFW-KDURUIRLSA-N 2 2 376.479 3.780 20 0 GHADLP Fc1ccccc1-c1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c[nH]1 ZINC001235036886 1040530137 /nfs/dbraw/zinc/53/01/37/1040530137.db2.gz ACCRRRUXPDRCFW-KDURUIRLSA-N 2 2 376.479 3.780 20 0 GHADLP c1nc2n(c1-c1ccccc1)CCC21CC[NH+]([C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254860510 1040603980 /nfs/dbraw/zinc/60/39/80/1040603980.db2.gz QIBKVBHUTHMCQF-NRFANRHFSA-N 2 2 376.548 3.772 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](n3c[nH+]cc3-c3cccc(C[NH3+])c3)C[C@@H]2C1 ZINC001254902173 1040657127 /nfs/dbraw/zinc/65/71/27/1040657127.db2.gz QYUIZWLWLJOGJD-REPLKXPHSA-N 2 2 382.508 3.827 20 0 GHADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(Br)c(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001235172660 1040664382 /nfs/dbraw/zinc/66/43/82/1040664382.db2.gz SPRZDAVIODJEJS-OLZOCXBDSA-N 2 2 393.247 3.731 20 0 GHADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(Br)c(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001235172660 1040664398 /nfs/dbraw/zinc/66/43/98/1040664398.db2.gz SPRZDAVIODJEJS-OLZOCXBDSA-N 2 2 393.247 3.731 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(Br)c(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001235172660 1040664405 /nfs/dbraw/zinc/66/44/05/1040664405.db2.gz SPRZDAVIODJEJS-OLZOCXBDSA-N 2 2 393.247 3.731 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)c(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001235172660 1040664410 /nfs/dbraw/zinc/66/44/10/1040664410.db2.gz SPRZDAVIODJEJS-OLZOCXBDSA-N 2 2 393.247 3.731 20 0 GHADLP Cc1cc(C[N@@H+]2CC[NH2+]C[C@]3(CCCC(=O)N3)C2)cc(C)c1-c1ccc(F)cc1 ZINC001235183635 1040673337 /nfs/dbraw/zinc/67/33/37/1040673337.db2.gz JTFHCHRUOQRJEY-XMMPIXPASA-N 2 2 395.522 3.554 20 0 GHADLP Cc1cc(C[N@H+]2CC[NH2+]C[C@]3(CCCC(=O)N3)C2)cc(C)c1-c1ccc(F)cc1 ZINC001235183635 1040673349 /nfs/dbraw/zinc/67/33/49/1040673349.db2.gz JTFHCHRUOQRJEY-XMMPIXPASA-N 2 2 395.522 3.554 20 0 GHADLP Fc1cccc2cc(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)[nH]c21 ZINC001235243513 1040726164 /nfs/dbraw/zinc/72/61/64/1040726164.db2.gz ZPZWCDMMXMUASH-UHFFFAOYSA-N 2 2 383.467 3.767 20 0 GHADLP Fc1cccc2cc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)[nH]c21 ZINC001235243513 1040726180 /nfs/dbraw/zinc/72/61/80/1040726180.db2.gz ZPZWCDMMXMUASH-UHFFFAOYSA-N 2 2 383.467 3.767 20 0 GHADLP c1[nH+]cn(Cc2ccccc2)c1CN1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235368945 1040867298 /nfs/dbraw/zinc/86/72/98/1040867298.db2.gz XLFUTRKPKKCIMR-UKILVPOCSA-N 2 2 386.543 3.685 20 0 GHADLP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255150802 1040873455 /nfs/dbraw/zinc/87/34/55/1040873455.db2.gz OTXDYWQKHDENJE-NUNAXRQHSA-N 3 2 376.548 3.708 20 0 GHADLP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255150802 1040873468 /nfs/dbraw/zinc/87/34/68/1040873468.db2.gz OTXDYWQKHDENJE-NUNAXRQHSA-N 3 2 376.548 3.708 20 0 GHADLP COC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235379628 1040900234 /nfs/dbraw/zinc/90/02/34/1040900234.db2.gz IIOXCZDVDAIUAW-NFBKMPQASA-N 2 2 398.934 3.880 20 0 GHADLP COC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235379628 1040900249 /nfs/dbraw/zinc/90/02/49/1040900249.db2.gz IIOXCZDVDAIUAW-NFBKMPQASA-N 2 2 398.934 3.880 20 0 GHADLP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1cc3c(c(OCc4ccccc4)c1)OCO3)C2 ZINC001235400852 1040913707 /nfs/dbraw/zinc/91/37/07/1040913707.db2.gz LEPRRWCNOJVPLA-JTHBVZDNSA-N 2 2 398.478 3.518 20 0 GHADLP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cc3c(c(OCc4ccccc4)c1)OCO3)C2 ZINC001235400852 1040913714 /nfs/dbraw/zinc/91/37/14/1040913714.db2.gz LEPRRWCNOJVPLA-JTHBVZDNSA-N 2 2 398.478 3.518 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H](N[C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC001255389289 1040977282 /nfs/dbraw/zinc/97/72/82/1040977282.db2.gz FCVFGRNIAVECMV-ZEQRLZLVSA-N 2 2 393.575 3.914 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H](N[C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC001255389289 1040977283 /nfs/dbraw/zinc/97/72/83/1040977283.db2.gz FCVFGRNIAVECMV-ZEQRLZLVSA-N 2 2 393.575 3.914 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H](N[C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)cc1 ZINC001255389289 1040977285 /nfs/dbraw/zinc/97/72/85/1040977285.db2.gz FCVFGRNIAVECMV-ZEQRLZLVSA-N 2 2 393.575 3.914 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H](N[C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)cc1 ZINC001255389289 1040977287 /nfs/dbraw/zinc/97/72/87/1040977287.db2.gz FCVFGRNIAVECMV-ZEQRLZLVSA-N 2 2 393.575 3.914 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]Cc3ccnc(OCC4CCC4)n3)CC2)cc1 ZINC001255392577 1040980240 /nfs/dbraw/zinc/98/02/40/1040980240.db2.gz JIFVRNIGGBNMTP-OAQYLSRUSA-N 2 2 380.536 3.800 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]Cc3ccnc(OCC4CCC4)n3)CC2)cc1 ZINC001255392577 1040980246 /nfs/dbraw/zinc/98/02/46/1040980246.db2.gz JIFVRNIGGBNMTP-OAQYLSRUSA-N 2 2 380.536 3.800 20 0 GHADLP CN(C)c1cc(F)cc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c1 ZINC001235648324 1041090599 /nfs/dbraw/zinc/09/05/99/1041090599.db2.gz JCQMYKXRTHMZGA-UHFFFAOYSA-N 2 2 385.531 3.526 20 0 GHADLP CN(C)c1cc(F)cc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c1 ZINC001235648324 1041090618 /nfs/dbraw/zinc/09/06/18/1041090618.db2.gz JCQMYKXRTHMZGA-UHFFFAOYSA-N 2 2 385.531 3.526 20 0 GHADLP CC1(C)C[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)CCO1 ZINC001255533472 1041114265 /nfs/dbraw/zinc/11/42/65/1041114265.db2.gz GLXZMLHBDCFGMD-FPOVZHCZSA-N 2 2 392.503 3.675 20 0 GHADLP C[NH2+]CC1CC[NH+](Cc2c(Br)cccc2OC(F)(F)F)CC1 ZINC001235680241 1041143614 /nfs/dbraw/zinc/14/36/14/1041143614.db2.gz SDNQHKJXRLNQFL-UHFFFAOYSA-N 2 2 381.236 3.779 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC001235691276 1041166883 /nfs/dbraw/zinc/16/68/83/1041166883.db2.gz OCWMNJURSLTEDA-XJKSGUPXSA-N 2 2 392.321 3.602 20 0 GHADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001235712721 1041194815 /nfs/dbraw/zinc/19/48/15/1041194815.db2.gz PGDHKZCFHKFKGZ-UHFFFAOYSA-N 3 2 392.591 3.583 20 0 GHADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001235712721 1041194821 /nfs/dbraw/zinc/19/48/21/1041194821.db2.gz PGDHKZCFHKFKGZ-UHFFFAOYSA-N 3 2 392.591 3.583 20 0 GHADLP Brc1cccc([C@@H]2CN(Cc3cccc(-n4cc[nH+]c4)c3)CC[NH2+]2)c1 ZINC001235800022 1041302823 /nfs/dbraw/zinc/30/28/23/1041302823.db2.gz NOBSUECFZSBAQY-FQEVSTJZSA-N 2 2 397.320 3.781 20 0 GHADLP COCCC[N@H+](Cc1c[nH]c2c1cccc2Br)[C@@H]1CCC[NH2+]C1 ZINC001235804617 1041314348 /nfs/dbraw/zinc/31/43/48/1041314348.db2.gz GAIMZDDYAIPTAW-OAHLLOKOSA-N 2 2 380.330 3.521 20 0 GHADLP COCCC[N@@H+](Cc1c[nH]c2c1cccc2Br)[C@@H]1CCC[NH2+]C1 ZINC001235804617 1041314362 /nfs/dbraw/zinc/31/43/62/1041314362.db2.gz GAIMZDDYAIPTAW-OAHLLOKOSA-N 2 2 380.330 3.521 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001235819380 1041335597 /nfs/dbraw/zinc/33/55/97/1041335597.db2.gz DLGHFHFDNUWQAR-UHFFFAOYSA-N 2 2 390.984 3.894 20 0 GHADLP CC(C)c1ccc(CN2CC[NH+](C3(C)CC[NH2+]CC3)CC2)c(Br)c1 ZINC001235821603 1041338271 /nfs/dbraw/zinc/33/82/71/1041338271.db2.gz KKUSSCRABPKLTA-UHFFFAOYSA-N 2 2 394.401 3.832 20 0 GHADLP Fc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1OC(F)(F)F ZINC001236008981 1041500196 /nfs/dbraw/zinc/50/01/96/1041500196.db2.gz HVTYIWSTAVLXNO-APWZRJJASA-N 2 2 380.385 3.697 20 0 GHADLP Fc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1OC(F)(F)F ZINC001236008981 1041500202 /nfs/dbraw/zinc/50/02/02/1041500202.db2.gz HVTYIWSTAVLXNO-APWZRJJASA-N 2 2 380.385 3.697 20 0 GHADLP Fc1ccc(OC(F)(F)F)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236010290 1041501870 /nfs/dbraw/zinc/50/18/70/1041501870.db2.gz RDTWMKDAMJYBDI-APWZRJJASA-N 2 2 380.385 3.697 20 0 GHADLP Fc1ccc(OC(F)(F)F)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236010290 1041501885 /nfs/dbraw/zinc/50/18/85/1041501885.db2.gz RDTWMKDAMJYBDI-APWZRJJASA-N 2 2 380.385 3.697 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@H]1[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C2CC2)CC1 ZINC001256081446 1041513189 /nfs/dbraw/zinc/51/31/89/1041513189.db2.gz DWXRSWRONWYEHB-FCHUYYIVSA-N 2 2 388.527 3.986 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C2CC2)CC1 ZINC001256081446 1041513205 /nfs/dbraw/zinc/51/32/05/1041513205.db2.gz DWXRSWRONWYEHB-FCHUYYIVSA-N 2 2 388.527 3.986 20 0 GHADLP COC(=O)[C@H]([NH3+])C1CC[NH+](Cc2c(Cl)ccc(C(F)(F)F)c2Cl)CC1 ZINC001236065425 1041519408 /nfs/dbraw/zinc/51/94/08/1041519408.db2.gz GLSWZDAHJAUASK-CQSZACIVSA-N 2 2 399.240 3.725 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+]([C@H]4CCC[C@H](c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001256114884 1041539827 /nfs/dbraw/zinc/53/98/27/1041539827.db2.gz FMOHAHXCUNGKHE-KEZOAJOQSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+]([C@H]4CCC[C@H](c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001256114884 1041539850 /nfs/dbraw/zinc/53/98/50/1041539850.db2.gz FMOHAHXCUNGKHE-KEZOAJOQSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+]([C@H]4CCC[C@H](c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001256114884 1041539867 /nfs/dbraw/zinc/53/98/67/1041539867.db2.gz FMOHAHXCUNGKHE-KEZOAJOQSA-N 2 2 378.564 3.900 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+]([C@H]4CCC[C@H](c5ccccc5)C4)C[C@H]3C2)cn1 ZINC001256114884 1041539881 /nfs/dbraw/zinc/53/98/81/1041539881.db2.gz FMOHAHXCUNGKHE-KEZOAJOQSA-N 2 2 378.564 3.900 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236273781 1041649296 /nfs/dbraw/zinc/64/92/96/1041649296.db2.gz IMLFLXJGPYFMFG-XZOQPEGZSA-N 2 2 378.516 3.991 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236273781 1041649300 /nfs/dbraw/zinc/64/93/00/1041649300.db2.gz IMLFLXJGPYFMFG-XZOQPEGZSA-N 2 2 378.516 3.991 20 0 GHADLP CCC[N@H+](Cc1ccc(Br)c2ccc(OC)nc12)[C@@H]1CC[NH2+]C1 ZINC001236323553 1041671101 /nfs/dbraw/zinc/67/11/01/1041671101.db2.gz GLARLSRMBLWYKL-CQSZACIVSA-N 2 2 378.314 3.580 20 0 GHADLP CCC[N@@H+](Cc1ccc(Br)c2ccc(OC)nc12)[C@@H]1CC[NH2+]C1 ZINC001236323553 1041671109 /nfs/dbraw/zinc/67/11/09/1041671109.db2.gz GLARLSRMBLWYKL-CQSZACIVSA-N 2 2 378.314 3.580 20 0 GHADLP C[C@H](Cc1ccccn1)[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001256417433 1041725584 /nfs/dbraw/zinc/72/55/84/1041725584.db2.gz UIMCEVBBMLNOSS-NQIIRXRSSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@H](Cc1ccccn1)[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001256417433 1041725589 /nfs/dbraw/zinc/72/55/89/1041725589.db2.gz UIMCEVBBMLNOSS-NQIIRXRSSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@H](Cc1ccccn1)[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001256417433 1041725594 /nfs/dbraw/zinc/72/55/94/1041725594.db2.gz UIMCEVBBMLNOSS-NQIIRXRSSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@H](Cc1ccccn1)[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001256417433 1041725598 /nfs/dbraw/zinc/72/55/98/1041725598.db2.gz UIMCEVBBMLNOSS-NQIIRXRSSA-N 2 2 386.490 3.641 20 0 GHADLP COC(=O)c1cccc(C[N@H+](Cc2ccc(C)cc2OC)C2CC[NH2+]CC2)c1 ZINC001236464520 1041726275 /nfs/dbraw/zinc/72/62/75/1041726275.db2.gz GUFXJTQQIYSFFV-UHFFFAOYSA-N 2 2 382.504 3.544 20 0 GHADLP COC(=O)c1cccc(C[N@@H+](Cc2ccc(C)cc2OC)C2CC[NH2+]CC2)c1 ZINC001236464520 1041726282 /nfs/dbraw/zinc/72/62/82/1041726282.db2.gz GUFXJTQQIYSFFV-UHFFFAOYSA-N 2 2 382.504 3.544 20 0 GHADLP Nc1cccc(CN(Cc2ccc(C(F)(F)F)c(F)c2)C2CC[NH2+]CC2)[nH+]1 ZINC001236488740 1041736986 /nfs/dbraw/zinc/73/69/86/1041736986.db2.gz BFYUPEFACQOCCN-UHFFFAOYSA-N 2 2 382.405 3.576 20 0 GHADLP Fc1ccc(C[N@H+](C[C@H]2COC3(CCCCC3)O2)C2CC[NH2+]CC2)cc1F ZINC001236500253 1041741883 /nfs/dbraw/zinc/74/18/83/1041741883.db2.gz ZRNFDPSENMATBQ-SFHVURJKSA-N 2 2 380.479 3.595 20 0 GHADLP Fc1ccc(C[N@@H+](C[C@H]2COC3(CCCCC3)O2)C2CC[NH2+]CC2)cc1F ZINC001236500253 1041741892 /nfs/dbraw/zinc/74/18/92/1041741892.db2.gz ZRNFDPSENMATBQ-SFHVURJKSA-N 2 2 380.479 3.595 20 0 GHADLP C[C@@H]1C[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001256466125 1041746643 /nfs/dbraw/zinc/74/66/43/1041746643.db2.gz XKDBMRGQEYWIIZ-MKXGPGLRSA-N 2 2 388.556 3.946 20 0 GHADLP Cc1cc(F)ccc1C[N@H+](Cc1ccc(OC(F)F)nc1)C1CC[NH2+]CC1 ZINC001236520736 1041751294 /nfs/dbraw/zinc/75/12/94/1041751294.db2.gz CAXMAHDLDHEABI-UHFFFAOYSA-N 2 2 379.426 3.885 20 0 GHADLP Cc1cc(F)ccc1C[N@@H+](Cc1ccc(OC(F)F)nc1)C1CC[NH2+]CC1 ZINC001236520736 1041751303 /nfs/dbraw/zinc/75/13/03/1041751303.db2.gz CAXMAHDLDHEABI-UHFFFAOYSA-N 2 2 379.426 3.885 20 0 GHADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(F)(F)F)c3Br)C[C@@H]2C1 ZINC001236727674 1041859182 /nfs/dbraw/zinc/85/91/82/1041859182.db2.gz RMSVNZNQIRPUDQ-YPMHNXCESA-N 2 2 377.248 3.851 20 0 GHADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(F)(F)F)c3Br)C[C@@H]2C1 ZINC001236727674 1041859186 /nfs/dbraw/zinc/85/91/86/1041859186.db2.gz RMSVNZNQIRPUDQ-YPMHNXCESA-N 2 2 377.248 3.851 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3Br)C[C@@H]2C1 ZINC001236727674 1041859193 /nfs/dbraw/zinc/85/91/93/1041859193.db2.gz RMSVNZNQIRPUDQ-YPMHNXCESA-N 2 2 377.248 3.851 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3Br)C[C@@H]2C1 ZINC001236727674 1041859208 /nfs/dbraw/zinc/85/92/08/1041859208.db2.gz RMSVNZNQIRPUDQ-YPMHNXCESA-N 2 2 377.248 3.851 20 0 GHADLP COC(=O)c1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1 ZINC001236760782 1041876430 /nfs/dbraw/zinc/87/64/30/1041876430.db2.gz RJLHIPABCJBKIX-UHFFFAOYSA-N 2 2 382.504 3.578 20 0 GHADLP COC(=O)c1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1 ZINC001236760782 1041876434 /nfs/dbraw/zinc/87/64/34/1041876434.db2.gz RJLHIPABCJBKIX-UHFFFAOYSA-N 2 2 382.504 3.578 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC001236761997 1041878040 /nfs/dbraw/zinc/87/80/40/1041878040.db2.gz KAPKHQLGCWXLQF-XMMPIXPASA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC001236761997 1041878043 /nfs/dbraw/zinc/87/80/43/1041878043.db2.gz KAPKHQLGCWXLQF-XMMPIXPASA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC001236761997 1041878047 /nfs/dbraw/zinc/87/80/47/1041878047.db2.gz KAPKHQLGCWXLQF-XMMPIXPASA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC001236761997 1041878049 /nfs/dbraw/zinc/87/80/49/1041878049.db2.gz KAPKHQLGCWXLQF-XMMPIXPASA-N 2 2 394.515 3.580 20 0 GHADLP COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236902332 1041946786 /nfs/dbraw/zinc/94/67/86/1041946786.db2.gz HBCODTAHBSDLII-VQTJNVASSA-N 2 2 375.900 3.543 20 0 GHADLP COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236902332 1041946789 /nfs/dbraw/zinc/94/67/89/1041946789.db2.gz HBCODTAHBSDLII-VQTJNVASSA-N 2 2 375.900 3.543 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236918046 1041957354 /nfs/dbraw/zinc/95/73/54/1041957354.db2.gz ODTWSWHQLPOEAP-UHFFFAOYSA-N 2 2 398.942 3.578 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236918046 1041957355 /nfs/dbraw/zinc/95/73/55/1041957355.db2.gz ODTWSWHQLPOEAP-UHFFFAOYSA-N 2 2 398.942 3.578 20 0 GHADLP COC(=O)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@H]1c1ccccc1 ZINC001236929155 1041962276 /nfs/dbraw/zinc/96/22/76/1041962276.db2.gz PBLIROJPHODRJX-VQTJNVASSA-N 2 2 395.890 3.914 20 0 GHADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@H]1c1ccccc1 ZINC001236929155 1041962277 /nfs/dbraw/zinc/96/22/77/1041962277.db2.gz PBLIROJPHODRJX-VQTJNVASSA-N 2 2 395.890 3.914 20 0 GHADLP CC[N@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)Cc1cccc(F)c1F ZINC001236967264 1041972068 /nfs/dbraw/zinc/97/20/68/1041972068.db2.gz MRBIHGRTCUBUJM-UHFFFAOYSA-N 2 2 377.454 3.878 20 0 GHADLP CC[N@@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)Cc1cccc(F)c1F ZINC001236967264 1041972071 /nfs/dbraw/zinc/97/20/71/1041972071.db2.gz MRBIHGRTCUBUJM-UHFFFAOYSA-N 2 2 377.454 3.878 20 0 GHADLP FC(F)(F)[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc2c(s1)C[NH2+]CC2 ZINC001237014052 1041990620 /nfs/dbraw/zinc/99/06/20/1041990620.db2.gz BWXPOUKDXROYNL-IBGZPJMESA-N 2 2 395.494 3.643 20 0 GHADLP FC(F)(F)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc2c(s1)C[NH2+]CC2 ZINC001237014052 1041990623 /nfs/dbraw/zinc/99/06/23/1041990623.db2.gz BWXPOUKDXROYNL-IBGZPJMESA-N 2 2 395.494 3.643 20 0 GHADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@H+](Cc3ccsc3Cl)CC2)C1=O ZINC001278069336 1042094464 /nfs/dbraw/zinc/09/44/64/1042094464.db2.gz AHFCKGZXIRUSRL-IBGZPJMESA-N 2 2 392.956 3.540 20 0 GHADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@@H+](Cc3ccsc3Cl)CC2)C1=O ZINC001278069336 1042094474 /nfs/dbraw/zinc/09/44/74/1042094474.db2.gz AHFCKGZXIRUSRL-IBGZPJMESA-N 2 2 392.956 3.540 20 0 GHADLP COc1ccc2c(c1)n[nH]c2C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001237390887 1042185161 /nfs/dbraw/zinc/18/51/61/1042185161.db2.gz SYWUZOUKIIHPIL-UHFFFAOYSA-N 2 2 380.492 3.653 20 0 GHADLP COc1ccc2c(c1)n[nH]c2C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001237390887 1042185163 /nfs/dbraw/zinc/18/51/63/1042185163.db2.gz SYWUZOUKIIHPIL-UHFFFAOYSA-N 2 2 380.492 3.653 20 0 GHADLP COc1c(C)cccc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001237504683 1042240493 /nfs/dbraw/zinc/24/04/93/1042240493.db2.gz WXYRVPRHBCRTMJ-VJBWXMMDSA-N 2 2 394.563 3.575 20 0 GHADLP COc1c(C)cccc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001237504683 1042240496 /nfs/dbraw/zinc/24/04/96/1042240496.db2.gz WXYRVPRHBCRTMJ-VJBWXMMDSA-N 2 2 394.563 3.575 20 0 GHADLP COc1c(C)cccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001237504683 1042240500 /nfs/dbraw/zinc/24/05/00/1042240500.db2.gz WXYRVPRHBCRTMJ-VJBWXMMDSA-N 2 2 394.563 3.575 20 0 GHADLP COc1c(C)cccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001237504683 1042240506 /nfs/dbraw/zinc/24/05/06/1042240506.db2.gz WXYRVPRHBCRTMJ-VJBWXMMDSA-N 2 2 394.563 3.575 20 0 GHADLP Clc1ncnc2ccc(C[NH+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@H]4C3)cc12 ZINC001237576216 1042268624 /nfs/dbraw/zinc/26/86/24/1042268624.db2.gz LETWGDNAEXOKBQ-HZPDHXFCSA-N 2 2 384.936 3.909 20 0 GHADLP COc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1Br ZINC001237870120 1042402579 /nfs/dbraw/zinc/40/25/79/1042402579.db2.gz YDCCBWOLXQHQOJ-HNNXBMFYSA-N 2 2 377.282 3.814 20 0 GHADLP COc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1Br ZINC001237870120 1042402582 /nfs/dbraw/zinc/40/25/82/1042402582.db2.gz YDCCBWOLXQHQOJ-HNNXBMFYSA-N 2 2 377.282 3.814 20 0 GHADLP CCn1ncc2c1[C@H](COC)C[N@@H+](Cc1ccc3c(c1)C(C(C)C)=[NH+]CC3)C2 ZINC001237879299 1042406796 /nfs/dbraw/zinc/40/67/96/1042406796.db2.gz VRNFZTLGSPBWRX-FQEVSTJZSA-N 2 2 380.536 3.650 20 0 GHADLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4C4CCOCC4)C[C@H]3C2)nc1 ZINC001237901815 1042416037 /nfs/dbraw/zinc/41/60/37/1042416037.db2.gz RVIKFMNIPPMVHQ-SZPZYZBQSA-N 2 2 377.532 3.539 20 0 GHADLP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4C4CCOCC4)C[C@H]3C2)nc1 ZINC001237901815 1042416039 /nfs/dbraw/zinc/41/60/39/1042416039.db2.gz RVIKFMNIPPMVHQ-SZPZYZBQSA-N 2 2 377.532 3.539 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4C4CCOCC4)C[C@H]3C2)nc1 ZINC001237901815 1042416040 /nfs/dbraw/zinc/41/60/40/1042416040.db2.gz RVIKFMNIPPMVHQ-SZPZYZBQSA-N 2 2 377.532 3.539 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4C4CCOCC4)C[C@H]3C2)nc1 ZINC001237901815 1042416042 /nfs/dbraw/zinc/41/60/42/1042416042.db2.gz RVIKFMNIPPMVHQ-SZPZYZBQSA-N 2 2 377.532 3.539 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc(N5CCCCC5)n4)C[C@H]3C2)cc1 ZINC001238002733 1042454036 /nfs/dbraw/zinc/45/40/36/1042454036.db2.gz DIKXPCOSEHFCDS-DHIUTWEWSA-N 2 2 390.575 3.944 20 0 GHADLP Clc1cncc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1Cl ZINC001238005783 1042455711 /nfs/dbraw/zinc/45/57/11/1042455711.db2.gz UFIZIUXZOPNWOL-UHFFFAOYSA-N 2 2 396.318 3.848 20 0 GHADLP Clc1cncc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1Cl ZINC001238005783 1042455716 /nfs/dbraw/zinc/45/57/16/1042455716.db2.gz UFIZIUXZOPNWOL-UHFFFAOYSA-N 2 2 396.318 3.848 20 0 GHADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001238203249 1042518246 /nfs/dbraw/zinc/51/82/46/1042518246.db2.gz AEABKHHWTUVZPY-PMACEKPBSA-N 2 2 385.552 3.758 20 0 GHADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(=O)N3CCCCc4ccccc43)CC2)C1 ZINC001462633055 1070430216 /nfs/dbraw/zinc/43/02/16/1070430216.db2.gz ZKXMFDRCDBEDBY-SIKLNZKXSA-N 2 2 383.580 3.989 20 0 GHADLP Fc1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc(N2CCCC2)c1 ZINC001238707926 1042694704 /nfs/dbraw/zinc/69/47/04/1042694704.db2.gz RWOMCDPTFLANKV-FGZHOGPDSA-N 2 2 379.523 3.990 20 0 GHADLP [NH3+][C@H]1CCCC[C@@H]1OCc1ccc(-c2ccc(C[NH+]3CCOCC3)nc2)cc1F ZINC001239590507 1042838443 /nfs/dbraw/zinc/83/84/43/1042838443.db2.gz CNAXNPUZFDCUHL-GOTSBHOMSA-N 2 2 399.510 3.506 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc(C(=O)NCc4ccccc4)c3)c2)C1 ZINC001240076988 1042883435 /nfs/dbraw/zinc/88/34/35/1042883435.db2.gz FWRMLBMMJDFFLW-XMMPIXPASA-N 2 2 385.511 3.817 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc(C(=O)NCc4ccccc4)c3)c2)C1 ZINC001240076988 1042883442 /nfs/dbraw/zinc/88/34/42/1042883442.db2.gz FWRMLBMMJDFFLW-XMMPIXPASA-N 2 2 385.511 3.817 20 0 GHADLP C[C@@H]1C[C@@H](N2CC[NH+](Cc3cccc(F)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256549251 1043512351 /nfs/dbraw/zinc/51/23/51/1043512351.db2.gz FZMSDDWIEDHDCA-YKSBVNFPSA-N 2 2 381.539 3.996 20 0 GHADLP C[C@@H]1C[C@@H](N2CC[NH+](Cc3cccc(F)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256549251 1043512361 /nfs/dbraw/zinc/51/23/61/1043512361.db2.gz FZMSDDWIEDHDCA-YKSBVNFPSA-N 2 2 381.539 3.996 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH+]2CCC3(CCN(C(=O)c4cccnc4)CC3)CC2)CC1 ZINC001256571320 1043545054 /nfs/dbraw/zinc/54/50/54/1043545054.db2.gz XJEOEVLGMFRQSA-UHFFFAOYSA-N 2 2 398.595 3.663 20 0 GHADLP NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256608511 1043572635 /nfs/dbraw/zinc/57/26/35/1043572635.db2.gz AANJBMDXNWMBQP-DNQXCXABSA-N 2 2 391.559 3.775 20 0 GHADLP NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256608511 1043572642 /nfs/dbraw/zinc/57/26/42/1043572642.db2.gz AANJBMDXNWMBQP-DNQXCXABSA-N 2 2 391.559 3.775 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256608898 1043573867 /nfs/dbraw/zinc/57/38/67/1043573867.db2.gz JDJKZXZLMTTXOJ-UYAOXDASSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256608898 1043573872 /nfs/dbraw/zinc/57/38/72/1043573872.db2.gz JDJKZXZLMTTXOJ-UYAOXDASSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H](Cc1ccncc1)n1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC001256732716 1043639952 /nfs/dbraw/zinc/63/99/52/1043639952.db2.gz QMTXSWRJLHKSPF-HXOBKFHXSA-N 2 2 399.498 3.744 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001257037993 1043813222 /nfs/dbraw/zinc/81/32/22/1043813222.db2.gz FOJDGARYDZHOQN-RHSMWYFYSA-N 2 2 384.442 3.687 20 0 GHADLP [NH3+][C@@H](Cc1c[nH+]cn1[C@H]1CCCSC1)C(=O)Nc1ccc2ccccc2c1 ZINC001257666580 1044108842 /nfs/dbraw/zinc/10/88/42/1044108842.db2.gz NCNPINCBFFFANW-ICSRJNTNSA-N 2 2 380.517 3.613 20 0 GHADLP c1ccc(COC2CCC([N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)CC2)cc1 ZINC001257831022 1044207940 /nfs/dbraw/zinc/20/79/40/1044207940.db2.gz OTPKRVOOWHGECO-KFULVZMISA-N 2 2 391.559 3.973 20 0 GHADLP c1ccc(COC2CCC([N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)CC2)cc1 ZINC001257831022 1044207953 /nfs/dbraw/zinc/20/79/53/1044207953.db2.gz OTPKRVOOWHGECO-KFULVZMISA-N 2 2 391.559 3.973 20 0 GHADLP c1ccc(COC2CCC([NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)CC2)cc1 ZINC001257831022 1044207963 /nfs/dbraw/zinc/20/79/63/1044207963.db2.gz OTPKRVOOWHGECO-KFULVZMISA-N 2 2 391.559 3.973 20 0 GHADLP c1ccc(COC2CCC([NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)CC2)cc1 ZINC001257831022 1044207969 /nfs/dbraw/zinc/20/79/69/1044207969.db2.gz OTPKRVOOWHGECO-KFULVZMISA-N 2 2 391.559 3.973 20 0 GHADLP COc1ccc(CCCCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1OC ZINC001293587691 1044254935 /nfs/dbraw/zinc/25/49/35/1044254935.db2.gz AYNGCXLTTHWDMM-UHFFFAOYSA-N 2 2 394.475 3.944 20 0 GHADLP CC[NH+](CC)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257972340 1044294886 /nfs/dbraw/zinc/29/48/86/1044294886.db2.gz YGSJWUQCONWIBG-SFTDATJTSA-N 2 2 389.584 3.929 20 0 GHADLP Fc1ccccc1Cn1cncc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258138191 1044423596 /nfs/dbraw/zinc/42/35/96/1044423596.db2.gz TWMWPXYGXHUNPY-UHFFFAOYSA-N 2 2 392.522 3.867 20 0 GHADLP CSc1ccc(C[N@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)s1 ZINC001279077973 1044427527 /nfs/dbraw/zinc/42/75/27/1044427527.db2.gz XSEUHQGYDRQIIV-CALCHBBNSA-N 3 2 376.595 3.511 20 0 GHADLP CSc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)s1 ZINC001279077973 1044427534 /nfs/dbraw/zinc/42/75/34/1044427534.db2.gz XSEUHQGYDRQIIV-CALCHBBNSA-N 3 2 376.595 3.511 20 0 GHADLP CSc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)s1 ZINC001279077973 1044427540 /nfs/dbraw/zinc/42/75/40/1044427540.db2.gz XSEUHQGYDRQIIV-CALCHBBNSA-N 3 2 376.595 3.511 20 0 GHADLP CSc1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)s1 ZINC001279077973 1044427546 /nfs/dbraw/zinc/42/75/46/1044427546.db2.gz XSEUHQGYDRQIIV-CALCHBBNSA-N 3 2 376.595 3.511 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH+]3CCC4(C[C@H](OCC5CC5)CO4)CC3)CC2)cc1 ZINC001258142957 1044429857 /nfs/dbraw/zinc/42/98/57/1044429857.db2.gz INJLXIARQLTBKT-DEOSSOPVSA-N 2 2 398.591 3.744 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@@H+]3C[C@@H]4CCN(Cc5ccccc5)[C@@H]4C3)CC2)cc1 ZINC001258146069 1044435402 /nfs/dbraw/zinc/43/54/02/1044435402.db2.gz QYQDLRVKZXQDGC-AZGAKELHSA-N 2 2 389.587 3.900 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@H+]3C[C@@H]4CCN(Cc5ccccc5)[C@@H]4C3)CC2)cc1 ZINC001258146069 1044435406 /nfs/dbraw/zinc/43/54/06/1044435406.db2.gz QYQDLRVKZXQDGC-AZGAKELHSA-N 2 2 389.587 3.900 20 0 GHADLP C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001258306598 1044499038 /nfs/dbraw/zinc/49/90/38/1044499038.db2.gz LPWKDNPODIEPCW-PVAVHDDUSA-N 2 2 397.585 3.606 20 0 GHADLP CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001258418866 1044551762 /nfs/dbraw/zinc/55/17/62/1044551762.db2.gz IQWCLYDDGAZSKA-RPWUZVMVSA-N 2 2 397.538 3.674 20 0 GHADLP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001258418866 1044551776 /nfs/dbraw/zinc/55/17/76/1044551776.db2.gz IQWCLYDDGAZSKA-RPWUZVMVSA-N 2 2 397.538 3.674 20 0 GHADLP O=C1CC[C@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CCN1Cc1ccccc1 ZINC001258581323 1044656839 /nfs/dbraw/zinc/65/68/39/1044656839.db2.gz NHCBLMYZFDCMCN-FQEVSTJZSA-N 2 2 379.504 3.506 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2nnc(Cc3cccc(F)c3)o2)cc1 ZINC001258589217 1044661118 /nfs/dbraw/zinc/66/11/18/1044661118.db2.gz MDSLFNJRTPSGFV-UHFFFAOYSA-N 2 2 382.483 3.850 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2nnc(Cc3cccc(F)c3)o2)cc1 ZINC001258589217 1044661132 /nfs/dbraw/zinc/66/11/32/1044661132.db2.gz MDSLFNJRTPSGFV-UHFFFAOYSA-N 2 2 382.483 3.850 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@H](C)Cc3cccc(Cl)c3)CC2)C1 ZINC001258751103 1044748098 /nfs/dbraw/zinc/74/80/98/1044748098.db2.gz HWQDDQIGGPRCMC-AEFFLSMTSA-N 2 2 378.944 3.620 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H](C)Cc3cccc(Cl)c3)CC2)C1 ZINC001258751103 1044748107 /nfs/dbraw/zinc/74/81/07/1044748107.db2.gz HWQDDQIGGPRCMC-AEFFLSMTSA-N 2 2 378.944 3.620 20 0 GHADLP COc1ccccc1C[C@H](C)[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001258890188 1044844583 /nfs/dbraw/zinc/84/45/83/1044844583.db2.gz UGTJTXIMAFLNKW-IBGZPJMESA-N 2 2 384.520 3.586 20 0 GHADLP COc1ccccc1C[C@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001258890188 1044844601 /nfs/dbraw/zinc/84/46/01/1044844601.db2.gz UGTJTXIMAFLNKW-IBGZPJMESA-N 2 2 384.520 3.586 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1)c1ccccc1 ZINC001301662782 1046648219 /nfs/dbraw/zinc/64/82/19/1046648219.db2.gz QEQJXSXSSDDSIO-LEWJYISDSA-N 2 2 385.939 3.896 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000379642011 1046768288 /nfs/dbraw/zinc/76/82/88/1046768288.db2.gz YYBDSJKPVDOFRS-LJQANCHMSA-N 2 2 375.557 3.886 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000379642011 1046768302 /nfs/dbraw/zinc/76/83/02/1046768302.db2.gz YYBDSJKPVDOFRS-LJQANCHMSA-N 2 2 375.557 3.886 20 0 GHADLP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3cc(F)c(F)cc3Cl)CC2)C1 ZINC001279248400 1047748252 /nfs/dbraw/zinc/74/82/52/1047748252.db2.gz CHXPUHLOAZWYPP-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3cc(F)c(F)cc3Cl)CC2)C1 ZINC001279248400 1047748255 /nfs/dbraw/zinc/74/82/55/1047748255.db2.gz CHXPUHLOAZWYPP-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP CCn1ccnc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1cnc(Cl)s1)CC2 ZINC001279278337 1047755011 /nfs/dbraw/zinc/75/50/11/1047755011.db2.gz ZJONXEHMKRTZBM-UHFFFAOYSA-N 2 2 379.961 3.501 20 0 GHADLP CCn1ccnc1C[N@H+]1CCC2(C1)CC[NH+](Cc1cnc(Cl)s1)CC2 ZINC001279278337 1047755016 /nfs/dbraw/zinc/75/50/16/1047755016.db2.gz ZJONXEHMKRTZBM-UHFFFAOYSA-N 2 2 379.961 3.501 20 0 GHADLP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3cc(F)ccc3Br)(C1)CCC2 ZINC001279345519 1047775904 /nfs/dbraw/zinc/77/59/04/1047775904.db2.gz SIMUFHHJECGQSI-RBUKOAKNSA-N 2 2 398.364 3.674 20 0 GHADLP O=c1[nH]c(Cl)c(C[NH+]2CCC3(C[NH+](CCCC(F)(F)F)C3)CC2)s1 ZINC001279687476 1047916213 /nfs/dbraw/zinc/91/62/13/1047916213.db2.gz IZKXXMAVMNEEGV-UHFFFAOYSA-N 2 2 383.867 3.742 20 0 GHADLP Clc1ccnc(Cl)c1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001279718020 1047932936 /nfs/dbraw/zinc/93/29/36/1047932936.db2.gz OXESCKBNTWTMHL-MSOLQXFVSA-N 2 2 380.323 3.836 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)C1 ZINC001307904538 1049682346 /nfs/dbraw/zinc/68/23/46/1049682346.db2.gz LTIWCESBRSGFIN-OTWHNJEPSA-N 2 2 379.589 3.876 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)C1 ZINC001307904538 1049682368 /nfs/dbraw/zinc/68/23/68/1049682368.db2.gz LTIWCESBRSGFIN-OTWHNJEPSA-N 2 2 379.589 3.876 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308040700 1049791760 /nfs/dbraw/zinc/79/17/60/1049791760.db2.gz OIDPABDSWIXBNX-QZTJIDSGSA-N 2 2 392.503 3.558 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308040700 1049791763 /nfs/dbraw/zinc/79/17/63/1049791763.db2.gz OIDPABDSWIXBNX-QZTJIDSGSA-N 2 2 392.503 3.558 20 0 GHADLP CCC[N@H+](CCNC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001308153096 1049889013 /nfs/dbraw/zinc/88/90/13/1049889013.db2.gz FDJZNASHFIDGQD-UHFFFAOYSA-N 2 2 375.557 3.888 20 0 GHADLP CCC[N@@H+](CCNC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001308153096 1049889018 /nfs/dbraw/zinc/88/90/18/1049889018.db2.gz FDJZNASHFIDGQD-UHFFFAOYSA-N 2 2 375.557 3.888 20 0 GHADLP C[C@H](C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)C[NH+]1CCCCC1 ZINC001308215817 1049915579 /nfs/dbraw/zinc/91/55/79/1049915579.db2.gz GKXBFHWAZGLMEU-GOSISDBHSA-N 3 2 390.959 3.827 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(C)(C)c1ccccc1 ZINC001308241454 1049923602 /nfs/dbraw/zinc/92/36/02/1049923602.db2.gz WWAKAQQPSVTTDM-HXUWFJFHSA-N 2 2 382.548 3.854 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cc(Cl)cc(Cl)c3N)[nH+]c2)C1 ZINC001308338551 1049952881 /nfs/dbraw/zinc/95/28/81/1049952881.db2.gz YGDRPHWBUDUZMB-HNNXBMFYSA-N 2 2 380.323 3.723 20 0 GHADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(F)cc1Br ZINC001308480028 1049985632 /nfs/dbraw/zinc/98/56/32/1049985632.db2.gz YNWNDRYZLHEXLX-AWEZNQCLSA-N 2 2 385.321 3.808 20 0 GHADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(F)cc1Br ZINC001308480028 1049985634 /nfs/dbraw/zinc/98/56/34/1049985634.db2.gz YNWNDRYZLHEXLX-AWEZNQCLSA-N 2 2 385.321 3.808 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC([NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)C2)CC1 ZINC001308894176 1050144593 /nfs/dbraw/zinc/14/45/93/1050144593.db2.gz LEUQVJWJBYPGRE-LJQANCHMSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC([NH2+]C[C@H]3CC[N@H+]3C3CCCC3)C2)CC1 ZINC001308894176 1050144596 /nfs/dbraw/zinc/14/45/96/1050144596.db2.gz LEUQVJWJBYPGRE-LJQANCHMSA-N 2 2 377.573 3.773 20 0 GHADLP CCOC(=O)c1cc(C[NH2+]C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)on1 ZINC001308905355 1050153695 /nfs/dbraw/zinc/15/36/95/1050153695.db2.gz HTCACGBWOLGBPC-HSZRJFAPSA-N 2 2 399.535 3.879 20 0 GHADLP CCOC(=O)c1cc(C[NH2+]C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)on1 ZINC001308905355 1050153699 /nfs/dbraw/zinc/15/36/99/1050153699.db2.gz HTCACGBWOLGBPC-HSZRJFAPSA-N 2 2 399.535 3.879 20 0 GHADLP Cc1cc([C@@H]([NH3+])CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc(Cl)n1 ZINC001329244862 1050755675 /nfs/dbraw/zinc/75/56/75/1050755675.db2.gz SETCQPPRZWTWMQ-HNNXBMFYSA-N 2 2 393.944 3.514 20 0 GHADLP O=C(c1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1)N1CCCC1 ZINC001329892069 1050919586 /nfs/dbraw/zinc/91/95/86/1050919586.db2.gz MPHPJGQAQYIAKR-UHFFFAOYSA-N 2 2 377.532 3.677 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001330564297 1051029568 /nfs/dbraw/zinc/02/95/68/1051029568.db2.gz MZFWFVIVOZWODZ-UHFFFAOYSA-N 2 2 394.435 3.570 20 0 GHADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001311246052 1051964468 /nfs/dbraw/zinc/96/44/68/1051964468.db2.gz COVRUUDFKQBPCF-UHFFFAOYSA-N 2 2 381.524 3.668 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC001312685773 1052837793 /nfs/dbraw/zinc/83/77/93/1052837793.db2.gz KKUZWVKEEAROIA-BHDDXSALSA-N 2 2 392.632 3.934 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC001312685773 1052837795 /nfs/dbraw/zinc/83/77/95/1052837795.db2.gz KKUZWVKEEAROIA-BHDDXSALSA-N 2 2 392.632 3.934 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cnn(Cc3ccc(F)cc3)c2)[nH+]1 ZINC001343291422 1053681564 /nfs/dbraw/zinc/68/15/64/1053681564.db2.gz DELZHJMIXHBEKE-OAQYLSRUSA-N 2 2 379.483 3.850 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cnn(Cc3ccc(F)cc3)c2)[nH+]1 ZINC001343291422 1053681571 /nfs/dbraw/zinc/68/15/71/1053681571.db2.gz DELZHJMIXHBEKE-OAQYLSRUSA-N 2 2 379.483 3.850 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cnn(-c2cc(C)ccc2C)c1C ZINC001319325569 1055184008 /nfs/dbraw/zinc/18/40/08/1055184008.db2.gz VDAHBOVHXNXRGC-UHFFFAOYSA-N 2 2 386.459 3.939 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)[nH+]1 ZINC001319489114 1055285131 /nfs/dbraw/zinc/28/51/31/1055285131.db2.gz GWNUWFIILOKKSN-PXNSSMCTSA-N 2 2 384.499 3.625 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)[nH+]1 ZINC001319489114 1055285148 /nfs/dbraw/zinc/28/51/48/1055285148.db2.gz GWNUWFIILOKKSN-PXNSSMCTSA-N 2 2 384.499 3.625 20 0 GHADLP C[C@H](OC1CCCCC1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001320014086 1055597334 /nfs/dbraw/zinc/59/73/34/1055597334.db2.gz OUZSEELWJWZQST-VLCRHTCISA-N 2 2 393.616 3.520 20 0 GHADLP C[C@H](OC1CCCCC1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001320014086 1055597340 /nfs/dbraw/zinc/59/73/40/1055597340.db2.gz OUZSEELWJWZQST-VLCRHTCISA-N 2 2 393.616 3.520 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccc(CC(F)(F)F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001200703980 1056771242 /nfs/dbraw/zinc/77/12/42/1056771242.db2.gz QMELZBVMSDOZMU-FQEVSTJZSA-N 2 2 378.438 3.518 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccc(CC(F)(F)F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001200703980 1056771247 /nfs/dbraw/zinc/77/12/47/1056771247.db2.gz QMELZBVMSDOZMU-FQEVSTJZSA-N 2 2 378.438 3.518 20 0 GHADLP CC(C)C[C@H](C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)NC(=O)OC(C)(C)C ZINC001323251485 1056944414 /nfs/dbraw/zinc/94/44/14/1056944414.db2.gz GDMZGJQGGCNSMA-ZWKOTPCHSA-N 2 2 378.561 3.614 20 0 GHADLP CC(C)C[C@H](C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)NC(=O)OC(C)(C)C ZINC001323251485 1056944419 /nfs/dbraw/zinc/94/44/19/1056944419.db2.gz GDMZGJQGGCNSMA-ZWKOTPCHSA-N 2 2 378.561 3.614 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC001323410905 1056965709 /nfs/dbraw/zinc/96/57/09/1056965709.db2.gz JJOXEDDMBGFCAT-SFHVURJKSA-N 2 2 383.927 3.773 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC001323410905 1056965712 /nfs/dbraw/zinc/96/57/12/1056965712.db2.gz JJOXEDDMBGFCAT-SFHVURJKSA-N 2 2 383.927 3.773 20 0 GHADLP CC[NH+](CC)C1CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)CC1 ZINC001323786657 1057013334 /nfs/dbraw/zinc/01/33/34/1057013334.db2.gz XXXXEAMIURYJMR-UHFFFAOYSA-N 2 2 379.346 3.711 20 0 GHADLP C[N@H+](CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)Cc1ccccc1 ZINC001324312543 1057110221 /nfs/dbraw/zinc/11/02/21/1057110221.db2.gz VVZMDQLHXMCNOI-NRFANRHFSA-N 2 2 385.939 3.725 20 0 GHADLP C[N@@H+](CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)Cc1ccccc1 ZINC001324312543 1057110223 /nfs/dbraw/zinc/11/02/23/1057110223.db2.gz VVZMDQLHXMCNOI-NRFANRHFSA-N 2 2 385.939 3.725 20 0 GHADLP CC(C)(C)OC(=O)NCC1CCC([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC001325873489 1057377369 /nfs/dbraw/zinc/37/73/69/1057377369.db2.gz JIAOFQMAOUGRGI-DAWZGUTISA-N 2 2 378.561 3.971 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000848899027 1057407378 /nfs/dbraw/zinc/40/73/78/1057407378.db2.gz IZRYSHAHHYPCCD-WFNSPDMASA-N 2 2 379.460 3.810 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1ccco1 ZINC000849090787 1057589547 /nfs/dbraw/zinc/58/95/47/1057589547.db2.gz OLANZDODWBAQNA-MRXNPFEDSA-N 2 2 398.429 3.875 20 0 GHADLP CN(C(=O)/C=C/c1cc(Cl)cc(Cl)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001338921478 1058884162 /nfs/dbraw/zinc/88/41/62/1058884162.db2.gz CIKQTMOGZJPTSB-GNAXCBTBSA-N 2 2 396.362 3.634 20 0 GHADLP CN(C(=O)/C=C/c1cc(Cl)cc(Cl)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001338921478 1058884187 /nfs/dbraw/zinc/88/41/87/1058884187.db2.gz CIKQTMOGZJPTSB-GNAXCBTBSA-N 2 2 396.362 3.634 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC001442658169 1058988627 /nfs/dbraw/zinc/98/86/27/1058988627.db2.gz HPVCCEODJKRMFG-ACZWYYKOSA-N 2 2 377.960 3.807 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC001442658169 1058988629 /nfs/dbraw/zinc/98/86/29/1058988629.db2.gz HPVCCEODJKRMFG-ACZWYYKOSA-N 2 2 377.960 3.807 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C ZINC001339346210 1059126771 /nfs/dbraw/zinc/12/67/71/1059126771.db2.gz MFKHVLYQFPCOSJ-UHFFFAOYSA-N 2 2 387.484 3.598 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1cc(Br)ccc1F ZINC001340745861 1060090940 /nfs/dbraw/zinc/09/09/40/1060090940.db2.gz DMAGWYOHNLLMIK-UHFFFAOYSA-N 2 2 389.228 3.659 20 0 GHADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(OCc3ccc(Cl)cc3)cc2)CC1 ZINC001340766281 1060106940 /nfs/dbraw/zinc/10/69/40/1060106940.db2.gz OXRJHZQLNAAZJC-UHFFFAOYSA-N 2 2 388.939 3.808 20 0 GHADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(OCc3ccc(Cl)cc3)cc2)CC1 ZINC001340766281 1060106948 /nfs/dbraw/zinc/10/69/48/1060106948.db2.gz OXRJHZQLNAAZJC-UHFFFAOYSA-N 2 2 388.939 3.808 20 0 GHADLP C[NH+](C)C1(C)CCC(NC(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CC1 ZINC001346330110 1061520128 /nfs/dbraw/zinc/52/01/28/1061520128.db2.gz KNBFEFCXBRIXPF-LYGNXSNRSA-N 2 2 389.588 3.790 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)NCCCCC[NH+]2CCCC2)C1 ZINC001346359188 1061530034 /nfs/dbraw/zinc/53/00/34/1061530034.db2.gz WGAMFMOMIJVPDB-LJQANCHMSA-N 2 2 389.588 3.793 20 0 GHADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(OC)c3)C2)cc1 ZINC001454465706 1061793284 /nfs/dbraw/zinc/79/32/84/1061793284.db2.gz FNZPACXCNBXNHP-QHCPKHFHSA-N 2 2 395.547 3.714 20 0 GHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(OC)c3)C2)cc1 ZINC001454465706 1061793301 /nfs/dbraw/zinc/79/33/01/1061793301.db2.gz FNZPACXCNBXNHP-QHCPKHFHSA-N 2 2 395.547 3.714 20 0 GHADLP CC(C)Cc1ccc([C@H](C)C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cc1 ZINC001454649319 1061900322 /nfs/dbraw/zinc/90/03/22/1061900322.db2.gz JNGYVORRPQUMSI-SFHVURJKSA-N 2 2 380.536 3.774 20 0 GHADLP C[NH+](C)Cc1ccc(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)cc1 ZINC001457982443 1063482671 /nfs/dbraw/zinc/48/26/71/1063482671.db2.gz MBDXWYKOASHXBO-UHFFFAOYSA-N 2 2 388.515 3.580 20 0 GHADLP Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001458873353 1063952968 /nfs/dbraw/zinc/95/29/68/1063952968.db2.gz GKRWLOGXRNKBHY-OLKYXYMISA-N 2 2 397.607 3.894 20 0 GHADLP Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001458873353 1063952969 /nfs/dbraw/zinc/95/29/69/1063952969.db2.gz GKRWLOGXRNKBHY-OLKYXYMISA-N 2 2 397.607 3.894 20 0 GHADLP C[C@H]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001459552693 1064125207 /nfs/dbraw/zinc/12/52/07/1064125207.db2.gz BPKTXGNKICROOL-QFIPXVFZSA-N 2 2 393.575 3.615 20 0 GHADLP C[C@H]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001459552693 1064125208 /nfs/dbraw/zinc/12/52/08/1064125208.db2.gz BPKTXGNKICROOL-QFIPXVFZSA-N 2 2 393.575 3.615 20 0 GHADLP CC(C)[C@H](CO)[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1ccccc1 ZINC001459559322 1064127482 /nfs/dbraw/zinc/12/74/82/1064127482.db2.gz FJBPEEPEAPLWPG-VWLOTQADSA-N 2 2 395.591 3.718 20 0 GHADLP CC(C)[C@H](CO)[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1ccccc1 ZINC001459559322 1064127486 /nfs/dbraw/zinc/12/74/86/1064127486.db2.gz FJBPEEPEAPLWPG-VWLOTQADSA-N 2 2 395.591 3.718 20 0 GHADLP C[NH+](C)CC[C@H]([NH2+]Cc1cccc(F)c1I)C(C)(C)C ZINC001200412756 1066132158 /nfs/dbraw/zinc/13/21/58/1066132158.db2.gz RWQQLFXOGHOAIU-AWEZNQCLSA-N 2 2 392.300 3.886 20 0 GHADLP CC(C)C[C@@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)n1cc[nH+]c1 ZINC001466621890 1066217626 /nfs/dbraw/zinc/21/76/26/1066217626.db2.gz COFWILITNYGQQM-QFIPXVFZSA-N 2 2 394.563 3.985 20 0 GHADLP CC(C)C[C@@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)n1cc[nH+]c1 ZINC001466621890 1066217633 /nfs/dbraw/zinc/21/76/33/1066217633.db2.gz COFWILITNYGQQM-QFIPXVFZSA-N 2 2 394.563 3.985 20 0 GHADLP CCCCCC[N@H+](C)CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC001466950268 1066409409 /nfs/dbraw/zinc/40/94/09/1066409409.db2.gz QJKGOSWPCMYAIP-UHFFFAOYSA-N 2 2 384.362 3.961 20 0 GHADLP CCCCCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC001466950268 1066409424 /nfs/dbraw/zinc/40/94/24/1066409424.db2.gz QJKGOSWPCMYAIP-UHFFFAOYSA-N 2 2 384.362 3.961 20 0 GHADLP CC(C)Cc1ccc([C@@H](CNC(=O)NCc2ccn3cc[nH+]c3c2)[NH+](C)C)cc1 ZINC001469333352 1068108243 /nfs/dbraw/zinc/10/82/43/1068108243.db2.gz KGLQAZURBDMPQF-OAQYLSRUSA-N 2 2 393.535 3.635 20 0 GHADLP CC(C)[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H](O)c1ccccc1 ZINC001460077380 1068766385 /nfs/dbraw/zinc/76/63/85/1068766385.db2.gz ATQIGQXWSLOKOT-HJOGWXRNSA-N 2 2 382.548 3.625 20 0 GHADLP CC(C)[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H](O)c1ccccc1 ZINC001460077380 1068766393 /nfs/dbraw/zinc/76/63/93/1068766393.db2.gz ATQIGQXWSLOKOT-HJOGWXRNSA-N 2 2 382.548 3.625 20 0 GHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1c2ccccc2C[NH+]1C ZINC001478497173 1078893884 /nfs/dbraw/zinc/89/38/84/1078893884.db2.gz XVDBIEOPZHTVSD-XZOQPEGZSA-N 2 2 394.563 3.629 20 0 GHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1c2ccccc2C[NH+]1C ZINC001478497173 1078893885 /nfs/dbraw/zinc/89/38/85/1078893885.db2.gz XVDBIEOPZHTVSD-XZOQPEGZSA-N 2 2 394.563 3.629 20 0 GHADLP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001478497173 1078893887 /nfs/dbraw/zinc/89/38/87/1078893887.db2.gz XVDBIEOPZHTVSD-XZOQPEGZSA-N 2 2 394.563 3.629 20 0 GHADLP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001478497173 1078893891 /nfs/dbraw/zinc/89/38/91/1078893891.db2.gz XVDBIEOPZHTVSD-XZOQPEGZSA-N 2 2 394.563 3.629 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001471165381 1072949036 /nfs/dbraw/zinc/94/90/36/1072949036.db2.gz XIFATKWQKZIEDB-RTWAWAEBSA-N 2 2 388.600 3.532 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001471165381 1072949041 /nfs/dbraw/zinc/94/90/41/1072949041.db2.gz XIFATKWQKZIEDB-RTWAWAEBSA-N 2 2 388.600 3.532 20 0 GHADLP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001473264327 1073897605 /nfs/dbraw/zinc/89/76/05/1073897605.db2.gz ODJZYIXVWFWHDZ-ROUUACIJSA-N 2 2 389.927 3.668 20 0 GHADLP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001473264327 1073897615 /nfs/dbraw/zinc/89/76/15/1073897615.db2.gz ODJZYIXVWFWHDZ-ROUUACIJSA-N 2 2 389.927 3.668 20 0 GHADLP CO[C@H](C[NH2+][C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC001473844461 1074171075 /nfs/dbraw/zinc/17/10/75/1074171075.db2.gz DQCDDJZSYKMBOB-ZFFYZDHPSA-N 2 2 394.559 3.686 20 0 GHADLP CO[C@H](C[NH2+][C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC001473844461 1074171079 /nfs/dbraw/zinc/17/10/79/1074171079.db2.gz DQCDDJZSYKMBOB-ZFFYZDHPSA-N 2 2 394.559 3.686 20 0 GHADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001473935840 1074210353 /nfs/dbraw/zinc/21/03/53/1074210353.db2.gz QIYSPDORDUXNSV-HOTGVXAUSA-N 3 2 397.510 3.527 20 0 GHADLP Cc1nn(-c2ccccc2F)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001473955826 1074217089 /nfs/dbraw/zinc/21/70/89/1074217089.db2.gz QVVIWYNPMXUVQA-UHFFFAOYSA-N 2 2 379.414 3.934 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001474238262 1074304884 /nfs/dbraw/zinc/30/48/84/1074304884.db2.gz RWIMQNYIMURMSF-ZCNNSNEGSA-N 2 2 387.568 3.932 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001474238262 1074304887 /nfs/dbraw/zinc/30/48/87/1074304887.db2.gz RWIMQNYIMURMSF-ZCNNSNEGSA-N 2 2 387.568 3.932 20 0 GHADLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)C1CCCCC1 ZINC001474531191 1074452620 /nfs/dbraw/zinc/45/26/20/1074452620.db2.gz ZSDALOULUHEYEW-QHCPKHFHSA-N 2 2 387.568 3.794 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001474741135 1074541215 /nfs/dbraw/zinc/54/12/15/1074541215.db2.gz SFNYURYAKAEZTQ-UFYCRDLUSA-N 2 2 387.568 3.932 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001474741135 1074541227 /nfs/dbraw/zinc/54/12/27/1074541227.db2.gz SFNYURYAKAEZTQ-UFYCRDLUSA-N 2 2 387.568 3.932 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820410469 606201673 /nfs/dbraw/zinc/20/16/73/606201673.db2.gz FIKYFUWZWWEYQP-FIKGOQFSSA-N 2 2 376.508 3.570 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820410469 606201675 /nfs/dbraw/zinc/20/16/75/606201675.db2.gz FIKYFUWZWWEYQP-FIKGOQFSSA-N 2 2 376.508 3.570 20 0 GHADLP Cc1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c2c([nH+]1)CCC2 ZINC001164839589 720705203 /nfs/dbraw/zinc/70/52/03/720705203.db2.gz MBUIWLLUGITHDD-FQEVSTJZSA-N 2 2 392.547 3.534 20 0 GHADLP Cc1nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c2c([nH+]1)CCC2 ZINC001164839589 720705219 /nfs/dbraw/zinc/70/52/19/720705219.db2.gz MBUIWLLUGITHDD-FQEVSTJZSA-N 2 2 392.547 3.534 20 0 GHADLP CCCc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C)[nH+]1 ZINC001165021588 721818036 /nfs/dbraw/zinc/81/80/36/721818036.db2.gz DTEXBTXYZPHIMT-VLCRHTCISA-N 2 2 379.552 3.869 20 0 GHADLP CCCc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C)[nH+]1 ZINC001165021588 721818039 /nfs/dbraw/zinc/81/80/39/721818039.db2.gz DTEXBTXYZPHIMT-VLCRHTCISA-N 2 2 379.552 3.869 20 0 GHADLP Cc1ccc2cc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164975581 722116610 /nfs/dbraw/zinc/11/66/10/722116610.db2.gz JVJIKOULDLPHSM-GMAHTHKFSA-N 2 2 388.515 3.666 20 0 GHADLP Cc1ccc2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164975581 722116611 /nfs/dbraw/zinc/11/66/11/722116611.db2.gz JVJIKOULDLPHSM-GMAHTHKFSA-N 2 2 388.515 3.666 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(OCc2ccccn2)c1 ZINC000655696111 837686625 /nfs/dbraw/zinc/68/66/25/837686625.db2.gz AODQLIXETZFUOJ-GCJKJVERSA-N 2 2 381.520 3.565 20 0 GHADLP CCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3Br)nc2C)CC1 ZINC000655704766 837696024 /nfs/dbraw/zinc/69/60/24/837696024.db2.gz KHJVXKBWXJAQQP-UHFFFAOYSA-N 2 2 391.357 3.907 20 0 GHADLP CC1CCC(Oc2cc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)ccn2)CC1 ZINC000655714606 837708177 /nfs/dbraw/zinc/70/81/77/837708177.db2.gz ALHDPDKSHQODSI-UDJZJCJKSA-N 2 2 387.568 3.772 20 0 GHADLP CC(C)Oc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000655708260 837713529 /nfs/dbraw/zinc/71/35/29/837713529.db2.gz MATFBUQKUJBJMU-KRWDZBQOSA-N 2 2 386.458 3.836 20 0 GHADLP C[C@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C[NH+]1CCCCC1 ZINC000536082949 834719635 /nfs/dbraw/zinc/71/96/35/834719635.db2.gz ZYVJRZJZZLGTOK-GOSISDBHSA-N 2 2 393.535 3.845 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H]3CCN(c4ccccc4)C3=O)C2)s1 ZINC000685412385 834991783 /nfs/dbraw/zinc/99/17/83/834991783.db2.gz KGGLERYKYCMISW-GHTZIAJQSA-N 2 2 383.561 3.616 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H]3CCN(c4ccccc4)C3=O)C2)s1 ZINC000685412385 834991793 /nfs/dbraw/zinc/99/17/93/834991793.db2.gz KGGLERYKYCMISW-GHTZIAJQSA-N 2 2 383.561 3.616 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H]3CCN(c4ccccc4)C3=O)C2)s1 ZINC000685412385 834991800 /nfs/dbraw/zinc/99/18/00/834991800.db2.gz KGGLERYKYCMISW-GHTZIAJQSA-N 2 2 383.561 3.616 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H]3CCN(c4ccccc4)C3=O)C2)s1 ZINC000685412385 834991808 /nfs/dbraw/zinc/99/18/08/834991808.db2.gz KGGLERYKYCMISW-GHTZIAJQSA-N 2 2 383.561 3.616 20 0 GHADLP C[N@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685436257 835007670 /nfs/dbraw/zinc/00/76/70/835007670.db2.gz AVMBUSYYEITCIQ-UHFFFAOYSA-N 2 2 398.532 3.905 20 0 GHADLP C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685436257 835007680 /nfs/dbraw/zinc/00/76/80/835007680.db2.gz AVMBUSYYEITCIQ-UHFFFAOYSA-N 2 2 398.532 3.905 20 0 GHADLP CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000583884192 835201136 /nfs/dbraw/zinc/20/11/36/835201136.db2.gz FKLMTBLUXFRNBN-NQIIRXRSSA-N 2 2 394.563 3.839 20 0 GHADLP CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000583884192 835201143 /nfs/dbraw/zinc/20/11/43/835201143.db2.gz FKLMTBLUXFRNBN-NQIIRXRSSA-N 2 2 394.563 3.839 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151305138 835369285 /nfs/dbraw/zinc/36/92/85/835369285.db2.gz OSGYONJOOALFNJ-IBGZPJMESA-N 3 2 378.520 3.723 20 0 GHADLP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295068 835558713 /nfs/dbraw/zinc/55/87/13/835558713.db2.gz RBBUQHSQWOGGLH-KSSFIOAISA-N 2 2 399.760 3.933 20 0 GHADLP c1ccc(C[N@H+]2C[C@H](C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658315693 835570419 /nfs/dbraw/zinc/57/04/19/835570419.db2.gz ABEMWGZMHAKKRB-UPVQGACJSA-N 3 2 397.607 3.522 20 0 GHADLP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658315693 835570426 /nfs/dbraw/zinc/57/04/26/835570426.db2.gz ABEMWGZMHAKKRB-UPVQGACJSA-N 3 2 397.607 3.522 20 0 GHADLP c1ccc(C[N@H+]2C[C@H](C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658315690 835570597 /nfs/dbraw/zinc/57/05/97/835570597.db2.gz ABEMWGZMHAKKRB-LADGPHEKSA-N 3 2 397.607 3.522 20 0 GHADLP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658315690 835570600 /nfs/dbraw/zinc/57/06/00/835570600.db2.gz ABEMWGZMHAKKRB-LADGPHEKSA-N 3 2 397.607 3.522 20 0 GHADLP C[C@H]1C[C@H](CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)C[N@@H+]1Cc1ccccc1 ZINC000510132133 835734726 /nfs/dbraw/zinc/73/47/26/835734726.db2.gz SIPKAERNWMAKJK-FPOVZHCZSA-N 2 2 388.515 3.903 20 0 GHADLP C[C@H]1C[C@H](CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)C[N@H+]1Cc1ccccc1 ZINC000510132133 835734736 /nfs/dbraw/zinc/73/47/36/835734736.db2.gz SIPKAERNWMAKJK-FPOVZHCZSA-N 2 2 388.515 3.903 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000151832969 835896841 /nfs/dbraw/zinc/89/68/41/835896841.db2.gz BSNNXELVJLPDGD-RXVVDRJESA-N 2 2 383.540 3.518 20 0 GHADLP C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645227 844143358 /nfs/dbraw/zinc/14/33/58/844143358.db2.gz PKSIQQQBZRMIFX-UHFFFAOYSA-N 2 2 379.548 3.934 20 0 GHADLP C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645227 844143365 /nfs/dbraw/zinc/14/33/65/844143365.db2.gz PKSIQQQBZRMIFX-UHFFFAOYSA-N 2 2 379.548 3.934 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC([NH2+]C3CCC3)CC2)c(C)c1 ZINC000893789850 844146504 /nfs/dbraw/zinc/14/65/04/844146504.db2.gz XBSVYTIHQWNBFK-JOCHJYFZSA-N 2 2 395.551 3.557 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000109794959 836703157 /nfs/dbraw/zinc/70/31/57/836703157.db2.gz WUNWTWXDZWAFMF-QFIPXVFZSA-N 2 2 390.487 3.909 20 0 GHADLP CSc1cc(C)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000612961092 837024258 /nfs/dbraw/zinc/02/42/58/837024258.db2.gz WCKHJXWYRSLKFE-MSOLQXFVSA-N 2 2 393.597 3.719 20 0 GHADLP CSc1cc(C)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000612961092 837024268 /nfs/dbraw/zinc/02/42/68/837024268.db2.gz WCKHJXWYRSLKFE-MSOLQXFVSA-N 2 2 393.597 3.719 20 0 GHADLP OC1(C[NH2+][C@H](CCc2ccccc2)C(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000414312031 837031529 /nfs/dbraw/zinc/03/15/29/837031529.db2.gz VRAWIXDYRWCMRX-OAQYLSRUSA-N 2 2 388.502 3.870 20 0 GHADLP C[NH+](C)CCc1ccccc1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000275601992 837854793 /nfs/dbraw/zinc/85/47/93/837854793.db2.gz GYZYIHREXZUDGP-NRFANRHFSA-N 2 2 383.561 3.519 20 0 GHADLP CN(C(=O)NCCC1CCCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533664117 837898428 /nfs/dbraw/zinc/89/84/28/837898428.db2.gz INKMLKQNGNGAHU-SFTDATJTSA-N 2 2 378.605 3.545 20 0 GHADLP CN(C(=O)NCCC1CCCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533664117 837898454 /nfs/dbraw/zinc/89/84/54/837898454.db2.gz INKMLKQNGNGAHU-SFTDATJTSA-N 2 2 378.605 3.545 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000423467470 837908398 /nfs/dbraw/zinc/90/83/98/837908398.db2.gz IZEIJOXVDYCPQG-XGAJZPNHSA-N 3 2 381.539 3.944 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000423467470 837908403 /nfs/dbraw/zinc/90/84/03/837908403.db2.gz IZEIJOXVDYCPQG-XGAJZPNHSA-N 3 2 381.539 3.944 20 0 GHADLP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000423467468 837908816 /nfs/dbraw/zinc/90/88/16/837908816.db2.gz IZEIJOXVDYCPQG-RBVMOCNTSA-N 3 2 381.539 3.944 20 0 GHADLP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000423467468 837908822 /nfs/dbraw/zinc/90/88/22/837908822.db2.gz IZEIJOXVDYCPQG-RBVMOCNTSA-N 3 2 381.539 3.944 20 0 GHADLP Cc1cccc2c1cc[nH+]c2N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000579951089 837995336 /nfs/dbraw/zinc/99/53/36/837995336.db2.gz MVKTYYABYNUUFI-OALUTQOASA-N 2 2 383.536 3.638 20 0 GHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000547967060 838054094 /nfs/dbraw/zinc/05/40/94/838054094.db2.gz YKKYGCGHQZRQTJ-FQEVSTJZSA-N 2 2 399.498 3.849 20 0 GHADLP CCOc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc(Br)c1OC ZINC000377888931 838102358 /nfs/dbraw/zinc/10/23/58/838102358.db2.gz MRECSIYLNDBVPJ-AWEZNQCLSA-N 2 2 394.313 3.579 20 0 GHADLP CCOc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc(Br)c1OC ZINC000377888931 838102364 /nfs/dbraw/zinc/10/23/64/838102364.db2.gz MRECSIYLNDBVPJ-AWEZNQCLSA-N 2 2 394.313 3.579 20 0 GHADLP c1cn(-c2ccnc(-c3nc(-c4cccc(C[NH+]5CCCCC5)c4)no3)c2)c[nH+]1 ZINC000683669446 838238570 /nfs/dbraw/zinc/23/85/70/838238570.db2.gz UBTPIWDPQBWQLF-UHFFFAOYSA-N 2 2 386.459 3.970 20 0 GHADLP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000415936574 838290401 /nfs/dbraw/zinc/29/04/01/838290401.db2.gz WVVOLOZTJZATDF-UXHICEINSA-N 2 2 388.462 3.641 20 0 GHADLP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000415936574 838290408 /nfs/dbraw/zinc/29/04/08/838290408.db2.gz WVVOLOZTJZATDF-UXHICEINSA-N 2 2 388.462 3.641 20 0 GHADLP [NH3+]Cc1cc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc(C(F)(F)F)c1 ZINC000415967191 838327740 /nfs/dbraw/zinc/32/77/40/838327740.db2.gz HIAXZOXBZQORSD-UHFFFAOYSA-N 2 2 398.454 3.575 20 0 GHADLP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000415979026 838345541 /nfs/dbraw/zinc/34/55/41/838345541.db2.gz CUYGNWSZMMKNDZ-NHCUHLMSSA-N 2 2 375.476 3.653 20 0 GHADLP CCOCOc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000782961011 838540423 /nfs/dbraw/zinc/54/04/23/838540423.db2.gz DNRZYKYHALDOHF-UHFFFAOYSA-N 2 2 383.536 3.884 20 0 GHADLP Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)sc1C ZINC000613644386 839052644 /nfs/dbraw/zinc/05/26/44/839052644.db2.gz DAJVBZKWUHISEA-INIZCTEOSA-N 2 2 378.586 3.675 20 0 GHADLP Cc1ccccc1[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000363818485 839088039 /nfs/dbraw/zinc/08/80/39/839088039.db2.gz KULYLFFJZMESTB-RBBKRZOGSA-N 2 2 386.584 3.502 20 0 GHADLP Cc1ccccc1[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000363818485 839088047 /nfs/dbraw/zinc/08/80/47/839088047.db2.gz KULYLFFJZMESTB-RBBKRZOGSA-N 2 2 386.584 3.502 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(OC)c1OC ZINC000580378466 839429627 /nfs/dbraw/zinc/42/96/27/839429627.db2.gz LIGBFHLVVKAOEU-XMMPIXPASA-N 2 2 396.531 3.810 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(OC)c1OC ZINC000580378466 839429635 /nfs/dbraw/zinc/42/96/35/839429635.db2.gz LIGBFHLVVKAOEU-XMMPIXPASA-N 2 2 396.531 3.810 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(OC)c1OC ZINC000580378466 839429645 /nfs/dbraw/zinc/42/96/45/839429645.db2.gz LIGBFHLVVKAOEU-XMMPIXPASA-N 2 2 396.531 3.810 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc(OC)c1OC ZINC000580378466 839429655 /nfs/dbraw/zinc/42/96/55/839429655.db2.gz LIGBFHLVVKAOEU-XMMPIXPASA-N 2 2 396.531 3.810 20 0 GHADLP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000548090577 839460675 /nfs/dbraw/zinc/46/06/75/839460675.db2.gz ANXOHBUIDWFGHB-QGZVFWFLSA-N 2 2 386.927 3.511 20 0 GHADLP COCc1cc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)ccc1OC ZINC000163734755 839476136 /nfs/dbraw/zinc/47/61/36/839476136.db2.gz DSKXBYSDKKLZGB-GOSISDBHSA-N 2 2 384.520 3.525 20 0 GHADLP COCc1cccc(OCC2(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)CC2)c1 ZINC000535791126 844461094 /nfs/dbraw/zinc/46/10/94/844461094.db2.gz KQYSVJCSZZNMGP-UHFFFAOYSA-N 2 2 381.520 3.964 20 0 GHADLP CC[NH+](CC(O)C[N@@H+](CC)[C@@H](C)c1cccc(O)c1)[C@@H](C)c1cccc(O)c1 ZINC000181801585 839722347 /nfs/dbraw/zinc/72/23/47/839722347.db2.gz PLEDSEGLXQWUMB-ROUUACIJSA-N 2 2 386.536 3.925 20 0 GHADLP CC[NH+](CC(O)C[N@H+](CC)[C@@H](C)c1cccc(O)c1)[C@@H](C)c1cccc(O)c1 ZINC000181801585 839722356 /nfs/dbraw/zinc/72/23/56/839722356.db2.gz PLEDSEGLXQWUMB-ROUUACIJSA-N 2 2 386.536 3.925 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1F ZINC000275904818 839761526 /nfs/dbraw/zinc/76/15/26/839761526.db2.gz SWKXDAAUCBMVQQ-IGNZVWTISA-N 2 2 385.321 3.617 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000656253838 839830080 /nfs/dbraw/zinc/83/00/80/839830080.db2.gz YEGWYJRUZBEAHW-RHSMWYFYSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000656253838 839830085 /nfs/dbraw/zinc/83/00/85/839830085.db2.gz YEGWYJRUZBEAHW-RHSMWYFYSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000656253838 839830091 /nfs/dbraw/zinc/83/00/91/839830091.db2.gz YEGWYJRUZBEAHW-RHSMWYFYSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000656253838 839830098 /nfs/dbraw/zinc/83/00/98/839830098.db2.gz YEGWYJRUZBEAHW-RHSMWYFYSA-N 2 2 391.357 3.858 20 0 GHADLP C[N@@H+]1CCC[C@H](C[NH2+]C2CCS(=O)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000892990055 839837123 /nfs/dbraw/zinc/83/71/23/839837123.db2.gz XVORITOQDPNKDT-XTJIYYSKSA-N 2 2 388.499 3.589 20 0 GHADLP C[N@H+]1CCC[C@H](C[NH2+]C2CCS(=O)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000892990055 839837135 /nfs/dbraw/zinc/83/71/35/839837135.db2.gz XVORITOQDPNKDT-XTJIYYSKSA-N 2 2 388.499 3.589 20 0 GHADLP CC[C@H](C)Oc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1OC ZINC000656280634 840067632 /nfs/dbraw/zinc/06/76/32/840067632.db2.gz CDUZECLMVRWBLT-AZUAARDMSA-N 2 2 376.541 3.559 20 0 GHADLP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1OC ZINC000656280634 840067645 /nfs/dbraw/zinc/06/76/45/840067645.db2.gz CDUZECLMVRWBLT-AZUAARDMSA-N 2 2 376.541 3.559 20 0 GHADLP Cc1ccccc1C1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000601475140 840128695 /nfs/dbraw/zinc/12/86/95/840128695.db2.gz VIMWDNFWADVQOL-JOCHJYFZSA-N 2 2 397.607 3.824 20 0 GHADLP Cc1ccccc1C1(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000601475140 840128699 /nfs/dbraw/zinc/12/86/99/840128699.db2.gz VIMWDNFWADVQOL-JOCHJYFZSA-N 2 2 397.607 3.824 20 0 GHADLP C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCCCC1 ZINC000510357201 840279943 /nfs/dbraw/zinc/27/99/43/840279943.db2.gz XFPJCJYIQAKBPH-GOSISDBHSA-N 2 2 377.960 3.639 20 0 GHADLP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCCCC1 ZINC000510357201 840279958 /nfs/dbraw/zinc/27/99/58/840279958.db2.gz XFPJCJYIQAKBPH-GOSISDBHSA-N 2 2 377.960 3.639 20 0 GHADLP O=C1Nc2ccccc2S[C@@H]1CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478496 840627991 /nfs/dbraw/zinc/62/79/91/840627991.db2.gz CEBKNANEDOIRKS-OXQOHEQNSA-N 2 2 396.560 3.902 20 0 GHADLP O=C1Nc2ccccc2S[C@@H]1CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478496 840627997 /nfs/dbraw/zinc/62/79/97/840627997.db2.gz CEBKNANEDOIRKS-OXQOHEQNSA-N 2 2 396.560 3.902 20 0 GHADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000067080401 844565418 /nfs/dbraw/zinc/56/54/18/844565418.db2.gz UHTFIYIQCOQDOD-UHFFFAOYSA-N 2 2 384.524 3.500 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CC[C@@H](COc4ccccc4)C3)C2)cc1 ZINC000584795684 840900922 /nfs/dbraw/zinc/90/09/22/840900922.db2.gz USHLWUAZBARLMB-ISKFKSNPSA-N 2 2 380.532 3.678 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CC[C@@H](COc4ccccc4)C3)C2)cc1 ZINC000584795684 840900926 /nfs/dbraw/zinc/90/09/26/840900926.db2.gz USHLWUAZBARLMB-ISKFKSNPSA-N 2 2 380.532 3.678 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CC[C@@H](COc4ccccc4)C3)C2)cc1 ZINC000584795684 840900935 /nfs/dbraw/zinc/90/09/35/840900935.db2.gz USHLWUAZBARLMB-ISKFKSNPSA-N 2 2 380.532 3.678 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CC[C@@H](COc4ccccc4)C3)C2)cc1 ZINC000584795684 840900941 /nfs/dbraw/zinc/90/09/41/840900941.db2.gz USHLWUAZBARLMB-ISKFKSNPSA-N 2 2 380.532 3.678 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000430547189 841005579 /nfs/dbraw/zinc/00/55/79/841005579.db2.gz UIHUZKHFPMGFKB-NBCNXNJRSA-N 2 2 385.939 3.605 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000430547189 841005592 /nfs/dbraw/zinc/00/55/92/841005592.db2.gz UIHUZKHFPMGFKB-NBCNXNJRSA-N 2 2 385.939 3.605 20 0 GHADLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000660694849 841106525 /nfs/dbraw/zinc/10/65/25/841106525.db2.gz JQMXHCISWJFZDY-UHFFFAOYSA-N 2 2 382.548 3.838 20 0 GHADLP C[NH+](C)[C@@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000277084005 844612157 /nfs/dbraw/zinc/61/21/57/844612157.db2.gz MSIZCBNOXJVRDM-GOSISDBHSA-N 2 2 379.508 3.550 20 0 GHADLP Cc1ccc([C@H]([NH3+])C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000430587101 841272332 /nfs/dbraw/zinc/27/23/32/841272332.db2.gz YHAOOKZADOBFMZ-FQEVSTJZSA-N 2 2 392.528 3.648 20 0 GHADLP Cc1ccc([C@H]([NH3+])C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000430587101 841272339 /nfs/dbraw/zinc/27/23/39/841272339.db2.gz YHAOOKZADOBFMZ-FQEVSTJZSA-N 2 2 392.528 3.648 20 0 GHADLP CCc1ccc([C@H](CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)[NH+](C)C)cc1 ZINC000060531900 841369257 /nfs/dbraw/zinc/36/92/57/841369257.db2.gz YZFOXTQUDYMGQL-NRFANRHFSA-N 2 2 398.551 3.714 20 0 GHADLP Cc1cc(C)c(N2CC[C@H]([N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)C2=O)c(C)c1 ZINC000190916385 841436510 /nfs/dbraw/zinc/43/65/10/841436510.db2.gz FFLRGAAPXDYMAO-FCEUIQTBSA-N 2 2 381.564 3.666 20 0 GHADLP Cc1cc(C)c(N2CC[C@H]([N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)C2=O)c(C)c1 ZINC000190916385 841436516 /nfs/dbraw/zinc/43/65/16/841436516.db2.gz FFLRGAAPXDYMAO-FCEUIQTBSA-N 2 2 381.564 3.666 20 0 GHADLP Cc1cc(C)c(N2CC[C@H]([NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2=O)c(C)c1 ZINC000190916385 841436528 /nfs/dbraw/zinc/43/65/28/841436528.db2.gz FFLRGAAPXDYMAO-FCEUIQTBSA-N 2 2 381.564 3.666 20 0 GHADLP Cc1cc(C)c(N2CC[C@H]([NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2=O)c(C)c1 ZINC000190916385 841436535 /nfs/dbraw/zinc/43/65/35/841436535.db2.gz FFLRGAAPXDYMAO-FCEUIQTBSA-N 2 2 381.564 3.666 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806864 841794402 /nfs/dbraw/zinc/79/44/02/841794402.db2.gz JNOBJMSZXBEZJY-INIZCTEOSA-N 2 2 379.495 3.880 20 0 GHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514271 841831934 /nfs/dbraw/zinc/83/19/34/841831934.db2.gz LPDWLYZYONRJQY-FDDCHVKYSA-N 2 2 395.522 3.742 20 0 GHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514271 841831941 /nfs/dbraw/zinc/83/19/41/841831941.db2.gz LPDWLYZYONRJQY-FDDCHVKYSA-N 2 2 395.522 3.742 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccsc1 ZINC000474866637 861241822 /nfs/dbraw/zinc/24/18/22/861241822.db2.gz DHWRWEZTBBXGKB-HNAYVOBHSA-N 2 2 388.581 3.899 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066889702 841926598 /nfs/dbraw/zinc/92/65/98/841926598.db2.gz BOXHGYOPGQCHMD-UHFFFAOYSA-N 2 2 391.519 3.712 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066889702 841926605 /nfs/dbraw/zinc/92/66/05/841926605.db2.gz BOXHGYOPGQCHMD-UHFFFAOYSA-N 2 2 391.519 3.712 20 0 GHADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432228987 841998156 /nfs/dbraw/zinc/99/81/56/841998156.db2.gz OHBYPWQDEISHBB-UHFFFAOYSA-N 2 2 383.298 3.569 20 0 GHADLP COc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000581738564 842127084 /nfs/dbraw/zinc/12/70/84/842127084.db2.gz SIZGLQCYEUETRU-NRFANRHFSA-N 2 2 381.520 3.524 20 0 GHADLP COc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000581738564 842127100 /nfs/dbraw/zinc/12/71/00/842127100.db2.gz SIZGLQCYEUETRU-NRFANRHFSA-N 2 2 381.520 3.524 20 0 GHADLP Fc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)ccc1Br ZINC000177843773 861274508 /nfs/dbraw/zinc/27/45/08/861274508.db2.gz KYSBKQGNFHOBKP-UHFFFAOYSA-N 2 2 385.321 3.665 20 0 GHADLP CN(C(=O)c1ccccc1OC1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000581749210 842144205 /nfs/dbraw/zinc/14/42/05/842144205.db2.gz JZSVIYKXTULLRR-YADHBBJMSA-N 2 2 399.579 3.637 20 0 GHADLP CN(C(=O)c1ccccc1OC1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000581749210 842144207 /nfs/dbraw/zinc/14/42/07/842144207.db2.gz JZSVIYKXTULLRR-YADHBBJMSA-N 2 2 399.579 3.637 20 0 GHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177923412 861282819 /nfs/dbraw/zinc/28/28/19/861282819.db2.gz WLVIDNLMHOYIEZ-UHFFFAOYSA-N 2 2 391.519 3.566 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000177929344 861285099 /nfs/dbraw/zinc/28/50/99/861285099.db2.gz GGQFYARLFQMLAJ-GOSISDBHSA-N 2 2 391.519 3.708 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000177929344 861285118 /nfs/dbraw/zinc/28/51/18/861285118.db2.gz GGQFYARLFQMLAJ-GOSISDBHSA-N 2 2 391.519 3.708 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432254121 842398402 /nfs/dbraw/zinc/39/84/02/842398402.db2.gz RDRNBTBSNVXSTG-JKSUJKDBSA-N 2 2 375.315 3.990 20 0 GHADLP CC(C)c1ccc2ncnc(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)c2c1 ZINC000663748529 843007510 /nfs/dbraw/zinc/00/75/10/843007510.db2.gz ROVBKMHPHKZILW-YOFSQIOKSA-N 2 2 379.552 3.500 20 0 GHADLP CC(C)c1ccc2ncnc(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)c2c1 ZINC000663748529 843007522 /nfs/dbraw/zinc/00/75/22/843007522.db2.gz ROVBKMHPHKZILW-YOFSQIOKSA-N 2 2 379.552 3.500 20 0 GHADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000510654975 843138157 /nfs/dbraw/zinc/13/81/57/843138157.db2.gz DVSUWRXPHLDUFO-VQIMIIECSA-N 2 2 399.501 3.559 20 0 GHADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000510654975 843138161 /nfs/dbraw/zinc/13/81/61/843138161.db2.gz DVSUWRXPHLDUFO-VQIMIIECSA-N 2 2 399.501 3.559 20 0 GHADLP c1coc(-c2cc(C[NH+]3CCC(c4cc(C5CC[NH2+]CC5)n[nH]4)CC3)no2)c1 ZINC000662326997 843138558 /nfs/dbraw/zinc/13/85/58/843138558.db2.gz CWJDLYMCGHWKSQ-UHFFFAOYSA-N 2 2 381.480 3.504 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000178682679 861396137 /nfs/dbraw/zinc/39/61/37/861396137.db2.gz NPULWQIBCAMTBN-YKSBVNFPSA-N 2 2 392.591 3.719 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000178682679 861396150 /nfs/dbraw/zinc/39/61/50/861396150.db2.gz NPULWQIBCAMTBN-YKSBVNFPSA-N 2 2 392.591 3.719 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)s1 ZINC000511975444 843419969 /nfs/dbraw/zinc/41/99/69/843419969.db2.gz VXVRHKQANSXHBD-CYBMUJFWSA-N 2 2 384.471 3.592 20 0 GHADLP C[C@H](CC(=O)N(C)C)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000165574306 843573938 /nfs/dbraw/zinc/57/39/38/843573938.db2.gz FVYGSSGFBGSAHQ-GOSISDBHSA-N 2 2 376.504 3.555 20 0 GHADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(F)c1 ZINC000278899348 843635571 /nfs/dbraw/zinc/63/55/71/843635571.db2.gz PCMNQCTYJPACGH-MRXNPFEDSA-N 2 2 384.499 3.874 20 0 GHADLP Fc1ccc(C[NH+]2CCC(Nc3cc[nH+]cc3Br)CC2)cc1F ZINC000548449391 843651622 /nfs/dbraw/zinc/65/16/22/843651622.db2.gz IOXAVPFOELXIQX-UHFFFAOYSA-N 2 2 382.252 3.621 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(Nc3nc4cccc(OC(F)F)c4s3)CC2)CC1 ZINC000663483030 843728935 /nfs/dbraw/zinc/72/89/35/843728935.db2.gz YAMQAYJJMARPQI-UHFFFAOYSA-N 2 2 396.507 3.868 20 0 GHADLP C[C@@H](OC[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000052003889 843964578 /nfs/dbraw/zinc/96/45/78/843964578.db2.gz WOCAJCNOJIYWSL-UTKZUKDTSA-N 2 2 380.960 3.729 20 0 GHADLP COC(=O)c1cccc(Br)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000432935763 844676065 /nfs/dbraw/zinc/67/60/65/844676065.db2.gz AZGRUKYNOTXOFM-UHFFFAOYSA-N 2 2 395.341 3.544 20 0 GHADLP O=C1[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000181140331 844804038 /nfs/dbraw/zinc/80/40/38/844804038.db2.gz SHZMDQCWCBXMCE-KRWDZBQOSA-N 2 2 379.291 3.632 20 0 GHADLP CN(C(=O)NCC1CCCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535866470 844865525 /nfs/dbraw/zinc/86/55/25/844865525.db2.gz OEOJEXCGUPLZOB-RTWAWAEBSA-N 2 2 378.605 3.545 20 0 GHADLP CN(C(=O)NCC1CCCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535866470 844865532 /nfs/dbraw/zinc/86/55/32/844865532.db2.gz OEOJEXCGUPLZOB-RTWAWAEBSA-N 2 2 378.605 3.545 20 0 GHADLP CN(C(=O)NCCC1=CCCCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535870950 844937571 /nfs/dbraw/zinc/93/75/71/844937571.db2.gz JAUKNIGUCUNWQI-FCHUYYIVSA-N 2 2 390.616 3.856 20 0 GHADLP CN(C(=O)NCCC1=CCCCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535870950 844937581 /nfs/dbraw/zinc/93/75/81/844937581.db2.gz JAUKNIGUCUNWQI-FCHUYYIVSA-N 2 2 390.616 3.856 20 0 GHADLP CC(C)CC1(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000535875611 844953673 /nfs/dbraw/zinc/95/36/73/844953673.db2.gz ITORLVDLIUILGG-SFTDATJTSA-N 2 2 392.632 3.791 20 0 GHADLP CC(C)CC1(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000535875611 844953689 /nfs/dbraw/zinc/95/36/89/844953689.db2.gz ITORLVDLIUILGG-SFTDATJTSA-N 2 2 392.632 3.791 20 0 GHADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000513467222 845489789 /nfs/dbraw/zinc/48/97/89/845489789.db2.gz SCZAXBOTNMRBHC-WBVHZDCISA-N 2 2 399.398 3.668 20 0 GHADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000513467221 845489999 /nfs/dbraw/zinc/48/99/99/845489999.db2.gz SCZAXBOTNMRBHC-RDJZCZTQSA-N 2 2 399.398 3.668 20 0 GHADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000513467220 845490468 /nfs/dbraw/zinc/49/04/68/845490468.db2.gz SCZAXBOTNMRBHC-NVXWUHKLSA-N 2 2 399.398 3.668 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ncc(Cl)s2)CC1 ZINC000472051942 845609366 /nfs/dbraw/zinc/60/93/66/845609366.db2.gz JBDAKWMCODUCLN-CYBMUJFWSA-N 2 2 382.936 3.928 20 0 GHADLP CN(C(=O)C1CCC(F)(F)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000179553092 861629212 /nfs/dbraw/zinc/62/92/12/861629212.db2.gz XLFPBHNRDIGRMC-OALUTQOASA-N 2 2 385.543 3.608 20 0 GHADLP CN(C(=O)C1CCC(F)(F)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000179553092 861629219 /nfs/dbraw/zinc/62/92/19/861629219.db2.gz XLFPBHNRDIGRMC-OALUTQOASA-N 2 2 385.543 3.608 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(Nc3nc4cc(Br)ccc4o3)CC2)CC1 ZINC000892153480 846091267 /nfs/dbraw/zinc/09/12/67/846091267.db2.gz NOPQMCIDUGQMOG-UHFFFAOYSA-N 2 2 393.329 3.561 20 0 GHADLP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2)[N@@H+]1CCc2ccccc2C1 ZINC000513668049 846215050 /nfs/dbraw/zinc/21/50/50/846215050.db2.gz VGTRQOZBLRZEJU-VGOFRKELSA-N 2 2 393.531 3.751 20 0 GHADLP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2)[N@H+]1CCc2ccccc2C1 ZINC000513668049 846215064 /nfs/dbraw/zinc/21/50/64/846215064.db2.gz VGTRQOZBLRZEJU-VGOFRKELSA-N 2 2 393.531 3.751 20 0 GHADLP COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(C)c1OC ZINC000513761735 846637341 /nfs/dbraw/zinc/63/73/41/846637341.db2.gz OAVSZTXLFNHAFG-QGZVFWFLSA-N 2 2 379.504 3.978 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 ZINC000422004608 846744484 /nfs/dbraw/zinc/74/44/84/846744484.db2.gz GWNHHXZDAPADCP-UHFFFAOYSA-N 2 2 396.579 3.509 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 ZINC000422004608 846744491 /nfs/dbraw/zinc/74/44/91/846744491.db2.gz GWNHHXZDAPADCP-UHFFFAOYSA-N 2 2 396.579 3.509 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC(C)(C)C3=CCCCC3)CC2)CC1 ZINC000422190369 846893432 /nfs/dbraw/zinc/89/34/32/846893432.db2.gz WFDUDJFMLCJVFQ-UHFFFAOYSA-N 2 2 390.616 3.715 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC(C)(C)C3=CCCCC3)CC2)CC1 ZINC000422190369 846893437 /nfs/dbraw/zinc/89/34/37/846893437.db2.gz WFDUDJFMLCJVFQ-UHFFFAOYSA-N 2 2 390.616 3.715 20 0 GHADLP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)Cc1cccs1 ZINC000501400526 846905551 /nfs/dbraw/zinc/90/55/51/846905551.db2.gz QIOIYOCZHLMCPT-UHFFFAOYSA-N 2 2 385.577 3.613 20 0 GHADLP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)Cc1cccs1 ZINC000501400526 846905556 /nfs/dbraw/zinc/90/55/56/846905556.db2.gz QIOIYOCZHLMCPT-UHFFFAOYSA-N 2 2 385.577 3.613 20 0 GHADLP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)Cc1cccs1 ZINC000501400526 846905562 /nfs/dbraw/zinc/90/55/62/846905562.db2.gz QIOIYOCZHLMCPT-UHFFFAOYSA-N 2 2 385.577 3.613 20 0 GHADLP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)Cc1cccs1 ZINC000501400526 846905569 /nfs/dbraw/zinc/90/55/69/846905569.db2.gz QIOIYOCZHLMCPT-UHFFFAOYSA-N 2 2 385.577 3.613 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ncc(Br)s1 ZINC000272150871 847003438 /nfs/dbraw/zinc/00/34/38/847003438.db2.gz ALXAMCHMUDCIPO-WCQYABFASA-N 2 2 396.358 3.614 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c2cccs2)cc1 ZINC000420413045 847161901 /nfs/dbraw/zinc/16/19/01/847161901.db2.gz ZLCVAEXKXRODEA-MZKRTTBSSA-N 2 2 397.588 3.726 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c2cccs2)cc1 ZINC000420413045 847161908 /nfs/dbraw/zinc/16/19/08/847161908.db2.gz ZLCVAEXKXRODEA-MZKRTTBSSA-N 2 2 397.588 3.726 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000420409282 847173632 /nfs/dbraw/zinc/17/36/32/847173632.db2.gz WVUDGVHOTJFXLD-REWPJTCUSA-N 2 2 393.531 3.668 20 0 GHADLP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000420409282 847173637 /nfs/dbraw/zinc/17/36/37/847173637.db2.gz WVUDGVHOTJFXLD-REWPJTCUSA-N 2 2 393.531 3.668 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NCC[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)ccn12 ZINC000582495517 847409669 /nfs/dbraw/zinc/40/96/69/847409669.db2.gz KULLQBSIUUSSQD-PXNSSMCTSA-N 2 2 376.504 3.673 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NCC[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)ccn12 ZINC000582495517 847409678 /nfs/dbraw/zinc/40/96/78/847409678.db2.gz KULLQBSIUUSSQD-PXNSSMCTSA-N 2 2 376.504 3.673 20 0 GHADLP CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000625401169 861802016 /nfs/dbraw/zinc/80/20/16/861802016.db2.gz RESYCBRZOLWHJQ-SFHVURJKSA-N 2 2 399.501 3.678 20 0 GHADLP CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000625401169 861802025 /nfs/dbraw/zinc/80/20/25/861802025.db2.gz RESYCBRZOLWHJQ-SFHVURJKSA-N 2 2 399.501 3.678 20 0 GHADLP OC(C[NH+]1CCC[C@@H](CC(F)(F)F)C1)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420951127 847571127 /nfs/dbraw/zinc/57/11/27/847571127.db2.gz QNIMOXQRZUZVOY-KBPBESRZSA-N 2 2 390.412 3.676 20 0 GHADLP OC(C[NH+]1CCC[C@@H](CC(F)(F)F)C1)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420951127 847571133 /nfs/dbraw/zinc/57/11/33/847571133.db2.gz QNIMOXQRZUZVOY-KBPBESRZSA-N 2 2 390.412 3.676 20 0 GHADLP COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC000420958838 847579528 /nfs/dbraw/zinc/57/95/28/847579528.db2.gz DLIWVUWVRTWLIH-YHBQERECSA-N 2 2 380.532 3.905 20 0 GHADLP COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC000420958838 847579530 /nfs/dbraw/zinc/57/95/30/847579530.db2.gz DLIWVUWVRTWLIH-YHBQERECSA-N 2 2 380.532 3.905 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)CC1 ZINC000421016314 847639222 /nfs/dbraw/zinc/63/92/22/847639222.db2.gz UQOIGCZPJZMABF-IBGZPJMESA-N 2 2 397.567 3.598 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)CC1 ZINC000421016314 847639224 /nfs/dbraw/zinc/63/92/24/847639224.db2.gz UQOIGCZPJZMABF-IBGZPJMESA-N 2 2 397.567 3.598 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN([C@@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)CC1 ZINC000421016314 847639231 /nfs/dbraw/zinc/63/92/31/847639231.db2.gz UQOIGCZPJZMABF-IBGZPJMESA-N 2 2 397.567 3.598 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN([C@@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)CC1 ZINC000421016314 847639239 /nfs/dbraw/zinc/63/92/39/847639239.db2.gz UQOIGCZPJZMABF-IBGZPJMESA-N 2 2 397.567 3.598 20 0 GHADLP CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503364483 847643101 /nfs/dbraw/zinc/64/31/01/847643101.db2.gz DEJZGEUSTKKYGE-TZIWHRDSSA-N 2 2 397.563 3.962 20 0 GHADLP CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503364483 847643105 /nfs/dbraw/zinc/64/31/05/847643105.db2.gz DEJZGEUSTKKYGE-TZIWHRDSSA-N 2 2 397.563 3.962 20 0 GHADLP COc1ccc(Oc2cc(C[NH2+][C@@H](Cc3ccccc3)[C@@H](C)[NH3+])ccn2)cc1 ZINC000422690555 847782709 /nfs/dbraw/zinc/78/27/09/847782709.db2.gz GSOVNFSEDJPVJO-VGSWGCGISA-N 2 2 377.488 3.931 20 0 GHADLP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422768348 847814374 /nfs/dbraw/zinc/81/43/74/847814374.db2.gz NUISKWFRFGHWGN-IWMITWMQSA-N 2 2 387.549 3.513 20 0 GHADLP COc1cccc(Oc2ncccc2C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422781412 847820541 /nfs/dbraw/zinc/82/05/41/847820541.db2.gz KLYRSGKCDAFKRU-JTSKRJEESA-N 2 2 377.488 3.931 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2F)[C@H](C)C1 ZINC000115628894 847873185 /nfs/dbraw/zinc/87/31/85/847873185.db2.gz SUJYVMMJXRYYTE-KDOFPFPSSA-N 2 2 387.337 3.815 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2F)[C@H](C)C1 ZINC000115628894 847873195 /nfs/dbraw/zinc/87/31/95/847873195.db2.gz SUJYVMMJXRYYTE-KDOFPFPSSA-N 2 2 387.337 3.815 20 0 GHADLP COc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc(Br)c1OC ZINC000422947177 847909603 /nfs/dbraw/zinc/90/96/03/847909603.db2.gz PYMMXHFCTQMWMQ-CVEARBPZSA-N 2 2 377.282 3.701 20 0 GHADLP C[N@H+](Cc1cnn(C2CCCC2)c1-c1ccccc1)C1CC[NH+](CCO)CC1 ZINC000421318967 847943172 /nfs/dbraw/zinc/94/31/72/847943172.db2.gz JFLCWZAYYTVANB-UHFFFAOYSA-N 2 2 382.552 3.554 20 0 GHADLP C[N@@H+](Cc1cnn(C2CCCC2)c1-c1ccccc1)C1CC[NH+](CCO)CC1 ZINC000421318967 847943183 /nfs/dbraw/zinc/94/31/83/847943183.db2.gz JFLCWZAYYTVANB-UHFFFAOYSA-N 2 2 382.552 3.554 20 0 GHADLP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1Cl ZINC000604159480 861873730 /nfs/dbraw/zinc/87/37/30/861873730.db2.gz OKPWPJUROGJFQB-HIFRSBDPSA-N 2 2 399.366 3.522 20 0 GHADLP C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1Cl ZINC000604159480 861873752 /nfs/dbraw/zinc/87/37/52/861873752.db2.gz OKPWPJUROGJFQB-HIFRSBDPSA-N 2 2 399.366 3.522 20 0 GHADLP COC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(OC)c1 ZINC000657611892 848325072 /nfs/dbraw/zinc/32/50/72/848325072.db2.gz HMDXBQOBWVEKHW-QHCPKHFHSA-N 2 2 386.511 3.819 20 0 GHADLP COc1ccc([C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C(C)C)cc1 ZINC000180065134 861932284 /nfs/dbraw/zinc/93/22/84/861932284.db2.gz NVXRODASHMYAPU-DEOSSOPVSA-N 2 2 398.547 3.893 20 0 GHADLP CCCCN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H](C)c1ccccc1 ZINC000604209312 861996258 /nfs/dbraw/zinc/99/62/58/861996258.db2.gz RKHYIHLGWGKPCA-PZJWPPBQSA-N 2 2 386.584 3.728 20 0 GHADLP CCCCN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H](C)c1ccccc1 ZINC000604209312 861996271 /nfs/dbraw/zinc/99/62/71/861996271.db2.gz RKHYIHLGWGKPCA-PZJWPPBQSA-N 2 2 386.584 3.728 20 0 GHADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750690 849594759 /nfs/dbraw/zinc/59/47/59/849594759.db2.gz LSDIEWRUFQAZMS-QFIPXVFZSA-N 2 2 396.579 3.572 20 0 GHADLP [NH3+][C@@H]1CCCCC[C@@H]1NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000423183007 849775795 /nfs/dbraw/zinc/77/57/95/849775795.db2.gz MHBORDZYBDRAQZ-MOPGFXCFSA-N 2 2 380.374 3.663 20 0 GHADLP Cc1nc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)sc1Br ZINC000423162553 849778151 /nfs/dbraw/zinc/77/81/51/849778151.db2.gz UBJDSPRICAMKGW-DYVFJYSZSA-N 2 2 394.338 3.560 20 0 GHADLP CCN1CC[NH+]([C@H](C)CNc2cc[nH+]c3cc(OC(F)(F)F)ccc23)CC1 ZINC000899874465 862059289 /nfs/dbraw/zinc/05/92/89/862059289.db2.gz VWYNIBGIJMRYQS-CQSZACIVSA-N 2 2 382.430 3.571 20 0 GHADLP CC(C)(CO)[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cccs1 ZINC000583410032 849817931 /nfs/dbraw/zinc/81/79/31/849817931.db2.gz PQHGDHPPJWDQQH-OAQYLSRUSA-N 2 2 387.593 3.610 20 0 GHADLP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000156209932 849819116 /nfs/dbraw/zinc/81/91/16/849819116.db2.gz ZBEZQNQKDAMPOC-GOSISDBHSA-N 2 2 380.536 3.526 20 0 GHADLP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000156209932 849819128 /nfs/dbraw/zinc/81/91/28/849819128.db2.gz ZBEZQNQKDAMPOC-GOSISDBHSA-N 2 2 380.536 3.526 20 0 GHADLP CN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425209943 849820999 /nfs/dbraw/zinc/82/09/99/849820999.db2.gz VISZHWBASZGJPD-FGZHOGPDSA-N 2 2 388.515 3.665 20 0 GHADLP CN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425209943 849821005 /nfs/dbraw/zinc/82/10/05/849821005.db2.gz VISZHWBASZGJPD-FGZHOGPDSA-N 2 2 388.515 3.665 20 0 GHADLP COC[C@]1(C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CCC[NH2+]1 ZINC000423437907 849930510 /nfs/dbraw/zinc/93/05/10/849930510.db2.gz UNMHBJSSSCTTSA-OXJNMPFZSA-N 2 2 375.513 3.685 20 0 GHADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434994609 849982125 /nfs/dbraw/zinc/98/21/25/849982125.db2.gz KNWLRYKBLNABCZ-GFCCVEGCSA-N 2 2 382.386 3.515 20 0 GHADLP COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000435054311 850027562 /nfs/dbraw/zinc/02/75/62/850027562.db2.gz BNJVPBJMWZEKAF-GOSISDBHSA-N 2 2 378.428 3.782 20 0 GHADLP COC(=O)c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000435054311 850027570 /nfs/dbraw/zinc/02/75/70/850027570.db2.gz BNJVPBJMWZEKAF-GOSISDBHSA-N 2 2 378.428 3.782 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(OC(F)F)cc3)CC2)c1 ZINC000518768241 850066494 /nfs/dbraw/zinc/06/64/94/850066494.db2.gz JWGNFMXIPYAEDY-UHFFFAOYSA-N 2 2 389.490 3.898 20 0 GHADLP CC(C)[NH+](CCN(C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C(C)C ZINC000506639179 850230977 /nfs/dbraw/zinc/23/09/77/850230977.db2.gz XXBCSUMPXWIUQJ-UHFFFAOYSA-N 2 2 387.528 3.545 20 0 GHADLP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000424325744 850363314 /nfs/dbraw/zinc/36/33/14/850363314.db2.gz MTMHUPHDKUQIJU-QKNQBKEWSA-N 2 2 389.584 3.886 20 0 GHADLP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000424325744 850363320 /nfs/dbraw/zinc/36/33/20/850363320.db2.gz MTMHUPHDKUQIJU-QKNQBKEWSA-N 2 2 389.584 3.886 20 0 GHADLP Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]C1CC[NH2+]CC1 ZINC000414783912 850386559 /nfs/dbraw/zinc/38/65/59/850386559.db2.gz GYLXACIFRPHHKL-UHFFFAOYSA-N 2 2 380.467 3.954 20 0 GHADLP CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000504890601 850418675 /nfs/dbraw/zinc/41/86/75/850418675.db2.gz BPSOVFURLJIMES-QHCPKHFHSA-N 2 2 388.515 3.668 20 0 GHADLP CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000504890601 850418685 /nfs/dbraw/zinc/41/86/85/850418685.db2.gz BPSOVFURLJIMES-QHCPKHFHSA-N 2 2 388.515 3.668 20 0 GHADLP c1ccc(C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435390542 850457411 /nfs/dbraw/zinc/45/74/11/850457411.db2.gz PQWLPZIDHAWBKB-NRFANRHFSA-N 2 2 389.503 3.808 20 0 GHADLP c1ccc(C[N@H+](Cc2ccc(Oc3cnccn3)cc2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435390542 850457415 /nfs/dbraw/zinc/45/74/15/850457415.db2.gz PQWLPZIDHAWBKB-NRFANRHFSA-N 2 2 389.503 3.808 20 0 GHADLP CCOc1cc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)ccc1OC ZINC000435425088 850507315 /nfs/dbraw/zinc/50/73/15/850507315.db2.gz BQTZKSCFFMJVEA-IBGZPJMESA-N 2 2 387.549 3.695 20 0 GHADLP CCOc1cc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)ccc1OC ZINC000435425088 850507321 /nfs/dbraw/zinc/50/73/21/850507321.db2.gz BQTZKSCFFMJVEA-IBGZPJMESA-N 2 2 387.549 3.695 20 0 GHADLP COC(=O)c1cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)[nH]c1C(C)C ZINC000894309124 850788550 /nfs/dbraw/zinc/78/85/50/850788550.db2.gz YICKGFPFGZQQOX-LJQANCHMSA-N 2 2 380.492 3.732 20 0 GHADLP CSc1ccc(OCC[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000435736125 850822465 /nfs/dbraw/zinc/82/24/65/850822465.db2.gz UDIDHKHKZKKVOL-MRXNPFEDSA-N 2 2 377.579 3.664 20 0 GHADLP CSc1ccc(OCC[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000435736125 850822473 /nfs/dbraw/zinc/82/24/73/850822473.db2.gz UDIDHKHKZKKVOL-MRXNPFEDSA-N 2 2 377.579 3.664 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000515344445 850927639 /nfs/dbraw/zinc/92/76/39/850927639.db2.gz IUHZKPXQKRIJJK-IAGOWNOFSA-N 2 2 377.492 3.612 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2ccccc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000519396029 851001397 /nfs/dbraw/zinc/00/13/97/851001397.db2.gz UBUIZGKWXOLQCH-ZCNNSNEGSA-N 2 2 389.902 3.739 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2ccccc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000519396029 851001402 /nfs/dbraw/zinc/00/14/02/851001402.db2.gz UBUIZGKWXOLQCH-ZCNNSNEGSA-N 2 2 389.902 3.739 20 0 GHADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(OCC(F)F)cc2)cc1 ZINC000414876072 851064073 /nfs/dbraw/zinc/06/40/73/851064073.db2.gz CVOOSNCGEVZECC-WOJBJXKFSA-N 2 2 376.447 3.574 20 0 GHADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000414845166 851075904 /nfs/dbraw/zinc/07/59/04/851075904.db2.gz LTXWVQWERGRWDL-OXQOHEQNSA-N 2 2 399.535 3.834 20 0 GHADLP CCCOc1c(Br)cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000415055187 851167724 /nfs/dbraw/zinc/16/77/24/851167724.db2.gz NHYCSKIKIGIPQC-FZKQIMNGSA-N 2 2 385.346 3.663 20 0 GHADLP CCCOc1c(Br)cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000415055187 851167731 /nfs/dbraw/zinc/16/77/31/851167731.db2.gz NHYCSKIKIGIPQC-FZKQIMNGSA-N 2 2 385.346 3.663 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3c[nH]nc3-c3ccsc3)CC2)c1 ZINC000436276729 851419834 /nfs/dbraw/zinc/41/98/34/851419834.db2.gz UPXYXQURIHBLOJ-UHFFFAOYSA-N 2 2 395.576 3.749 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000425139629 851491203 /nfs/dbraw/zinc/49/12/03/851491203.db2.gz CJYSENFBTBSZCW-YADHBBJMSA-N 2 2 388.515 3.885 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+](C)C)cc1 ZINC000425150924 851529060 /nfs/dbraw/zinc/52/90/60/851529060.db2.gz WFWFEQJOEZQKDQ-FCHUYYIVSA-N 2 2 390.531 3.913 20 0 GHADLP C[N@H+](CCOc1ccc(F)cc1Cl)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434748700 851616535 /nfs/dbraw/zinc/61/65/35/851616535.db2.gz VIJYTGBJGKHNKQ-JXFKEZNVSA-N 2 2 377.891 3.878 20 0 GHADLP C[N@@H+](CCOc1ccc(F)cc1Cl)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434748700 851616541 /nfs/dbraw/zinc/61/65/41/851616541.db2.gz VIJYTGBJGKHNKQ-JXFKEZNVSA-N 2 2 377.891 3.878 20 0 GHADLP C[NH+](CCOc1ccc(F)cc1Cl)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434748700 851616547 /nfs/dbraw/zinc/61/65/47/851616547.db2.gz VIJYTGBJGKHNKQ-JXFKEZNVSA-N 2 2 377.891 3.878 20 0 GHADLP C[NH+](CCOc1ccc(F)cc1Cl)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434748700 851616550 /nfs/dbraw/zinc/61/65/50/851616550.db2.gz VIJYTGBJGKHNKQ-JXFKEZNVSA-N 2 2 377.891 3.878 20 0 GHADLP CC(C)(C[NH+]1CCCC1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000517514481 852046296 /nfs/dbraw/zinc/04/62/96/852046296.db2.gz MGCSLIWRCRWDJI-UHFFFAOYSA-N 2 2 379.508 3.598 20 0 GHADLP C[C@@H](c1nnc(SC[C@@H]2CC[N@H+](C)C2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000473795306 852047607 /nfs/dbraw/zinc/04/76/07/852047607.db2.gz JDJQRBKBGROKEZ-UONOGXRCSA-N 2 2 379.961 3.587 20 0 GHADLP C[C@@H](c1nnc(SC[C@@H]2CC[N@@H+](C)C2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000473795306 852047612 /nfs/dbraw/zinc/04/76/12/852047612.db2.gz JDJQRBKBGROKEZ-UONOGXRCSA-N 2 2 379.961 3.587 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000489367757 852256561 /nfs/dbraw/zinc/25/65/61/852256561.db2.gz WMQAEUFLNUJVKK-SFHLNBCPSA-N 2 2 386.584 3.703 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000489367757 852256573 /nfs/dbraw/zinc/25/65/73/852256573.db2.gz WMQAEUFLNUJVKK-SFHLNBCPSA-N 2 2 386.584 3.703 20 0 GHADLP C[N@H+](Cc1ccc(Cl)c2cccnc12)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425981676 852257200 /nfs/dbraw/zinc/25/72/00/852257200.db2.gz SICYQUIKJMWFRW-HSZRJFAPSA-N 2 2 395.934 3.957 20 0 GHADLP C[N@@H+](Cc1ccc(Cl)c2cccnc12)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425981676 852257210 /nfs/dbraw/zinc/25/72/10/852257210.db2.gz SICYQUIKJMWFRW-HSZRJFAPSA-N 2 2 395.934 3.957 20 0 GHADLP C[NH+](Cc1ccc(Cl)c2cccnc12)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425981676 852257214 /nfs/dbraw/zinc/25/72/14/852257214.db2.gz SICYQUIKJMWFRW-HSZRJFAPSA-N 2 2 395.934 3.957 20 0 GHADLP C[NH+](Cc1ccc(Cl)c2cccnc12)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425981676 852257224 /nfs/dbraw/zinc/25/72/24/852257224.db2.gz SICYQUIKJMWFRW-HSZRJFAPSA-N 2 2 395.934 3.957 20 0 GHADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000150802446 852408168 /nfs/dbraw/zinc/40/81/68/852408168.db2.gz XONQRGDTGVLQFG-HKUYNNGSSA-N 2 2 384.524 3.998 20 0 GHADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000150802446 852408173 /nfs/dbraw/zinc/40/81/73/852408173.db2.gz XONQRGDTGVLQFG-HKUYNNGSSA-N 2 2 384.524 3.998 20 0 GHADLP COc1ccc([C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[NH+]2CCCCC2)cc1 ZINC000516338207 852435606 /nfs/dbraw/zinc/43/56/06/852435606.db2.gz AZLWHVNAVKGPFI-XZOQPEGZSA-N 2 2 395.547 3.641 20 0 GHADLP CN(C(=O)CCc1ccc(C(C)(C)C)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559049 862356773 /nfs/dbraw/zinc/35/67/73/862356773.db2.gz GQRRXDRLAZCPCC-QFIPXVFZSA-N 2 2 385.596 3.544 20 0 GHADLP CN(C(=O)CCc1ccc(C(C)(C)C)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559049 862356791 /nfs/dbraw/zinc/35/67/91/862356791.db2.gz GQRRXDRLAZCPCC-QFIPXVFZSA-N 2 2 385.596 3.544 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C2(C[NH+](C)C)CCCCC2)c(C)c1 ZINC000426978070 852602610 /nfs/dbraw/zinc/60/26/10/852602610.db2.gz PESCZUPAEOTZHO-NRFANRHFSA-N 2 2 382.552 3.870 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1cn(-c2ccccc2)nn1 ZINC000507520919 853003414 /nfs/dbraw/zinc/00/34/14/853003414.db2.gz UGODZDVBFUOYGM-VOFXCDAESA-N 2 2 387.531 3.829 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1cn(-c2ccccc2)nn1 ZINC000507520919 853003420 /nfs/dbraw/zinc/00/34/20/853003420.db2.gz UGODZDVBFUOYGM-VOFXCDAESA-N 2 2 387.531 3.829 20 0 GHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439022925 853192464 /nfs/dbraw/zinc/19/24/64/853192464.db2.gz UIDOPEYFDQSDHM-MJGOQNOKSA-N 2 2 393.535 3.977 20 0 GHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439022925 853192469 /nfs/dbraw/zinc/19/24/69/853192469.db2.gz UIDOPEYFDQSDHM-MJGOQNOKSA-N 2 2 393.535 3.977 20 0 GHADLP CC1CC[NH+]([C@@H](CNC(=O)NCCCNc2cccc[nH+]2)c2ccccc2)CC1 ZINC000518348012 853226663 /nfs/dbraw/zinc/22/66/63/853226663.db2.gz ISZBMBXESSCXMJ-NRFANRHFSA-N 2 2 395.551 3.656 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506474979 853226927 /nfs/dbraw/zinc/22/69/27/853226927.db2.gz REEXAICEPXMADR-BHIFYINESA-N 2 2 385.596 3.928 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506474979 853226931 /nfs/dbraw/zinc/22/69/31/853226931.db2.gz REEXAICEPXMADR-BHIFYINESA-N 2 2 385.596 3.928 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506474979 853226933 /nfs/dbraw/zinc/22/69/33/853226933.db2.gz REEXAICEPXMADR-BHIFYINESA-N 2 2 385.596 3.928 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506474979 853226934 /nfs/dbraw/zinc/22/69/34/853226934.db2.gz REEXAICEPXMADR-BHIFYINESA-N 2 2 385.596 3.928 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506474980 853227035 /nfs/dbraw/zinc/22/70/35/853227035.db2.gz REEXAICEPXMADR-FDFHNCONSA-N 2 2 385.596 3.928 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506474980 853227045 /nfs/dbraw/zinc/22/70/45/853227045.db2.gz REEXAICEPXMADR-FDFHNCONSA-N 2 2 385.596 3.928 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506474980 853227051 /nfs/dbraw/zinc/22/70/51/853227051.db2.gz REEXAICEPXMADR-FDFHNCONSA-N 2 2 385.596 3.928 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506474980 853227064 /nfs/dbraw/zinc/22/70/64/853227064.db2.gz REEXAICEPXMADR-FDFHNCONSA-N 2 2 385.596 3.928 20 0 GHADLP O[C@H](C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000518363011 853247813 /nfs/dbraw/zinc/24/78/13/853247813.db2.gz YTDXGIAKQPGZSI-FQEVSTJZSA-N 2 2 389.421 3.643 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623864478 862464952 /nfs/dbraw/zinc/46/49/52/862464952.db2.gz PQGUFXPDWAHNQE-WTOYTKOKSA-N 2 2 399.560 3.765 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623864478 862464957 /nfs/dbraw/zinc/46/49/57/862464957.db2.gz PQGUFXPDWAHNQE-WTOYTKOKSA-N 2 2 399.560 3.765 20 0 GHADLP CC[N@H+](CCC(=O)OC(C)(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440707156 853547500 /nfs/dbraw/zinc/54/75/00/853547500.db2.gz XCIAMAYVGLOZIH-UHFFFAOYSA-N 2 2 390.572 3.931 20 0 GHADLP CC[N@@H+](CCC(=O)OC(C)(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440707156 853547509 /nfs/dbraw/zinc/54/75/09/853547509.db2.gz XCIAMAYVGLOZIH-UHFFFAOYSA-N 2 2 390.572 3.931 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@H+](Cc3ccc4ccccc4c3)C3CC3)cn2)CC1 ZINC000506552456 853563516 /nfs/dbraw/zinc/56/35/16/853563516.db2.gz IMVMIXSMPDLUCA-UHFFFAOYSA-N 2 2 387.531 3.546 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@@H+](Cc3ccc4ccccc4c3)C3CC3)cn2)CC1 ZINC000506552456 853563526 /nfs/dbraw/zinc/56/35/26/853563526.db2.gz IMVMIXSMPDLUCA-UHFFFAOYSA-N 2 2 387.531 3.546 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)CCOCC1)c1ccccc1 ZINC000571015183 853716187 /nfs/dbraw/zinc/71/61/87/853716187.db2.gz LLNJUKJPSOYXRN-BVSLBCMMSA-N 2 2 396.579 3.936 20 0 GHADLP Cc1ccc(-c2cc(C[NH+]3CCN(C4CC[NH+](C(C)C)CC4)CC3)on2)cc1 ZINC000441058318 853858930 /nfs/dbraw/zinc/85/89/30/853858930.db2.gz RZYBBCAQCFGCLT-UHFFFAOYSA-N 2 2 382.552 3.640 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(F)c2ccccc21 ZINC000571467723 853886620 /nfs/dbraw/zinc/88/66/20/853886620.db2.gz ZVHALAKOSOTAJW-OOKSDGMUSA-N 2 2 383.511 3.713 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(F)c2ccccc21 ZINC000571467723 853886629 /nfs/dbraw/zinc/88/66/29/853886629.db2.gz ZVHALAKOSOTAJW-OOKSDGMUSA-N 2 2 383.511 3.713 20 0 GHADLP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000417001847 854062544 /nfs/dbraw/zinc/06/25/44/854062544.db2.gz WOMQNGWDDALCHR-QFIPXVFZSA-N 2 2 391.519 3.554 20 0 GHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441368445 854151050 /nfs/dbraw/zinc/15/10/50/854151050.db2.gz BEMMHIVLQVEXMQ-HZPDHXFCSA-N 2 2 383.939 3.632 20 0 GHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441368445 854151052 /nfs/dbraw/zinc/15/10/52/854151052.db2.gz BEMMHIVLQVEXMQ-HZPDHXFCSA-N 2 2 383.939 3.632 20 0 GHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441368445 854151057 /nfs/dbraw/zinc/15/10/57/854151057.db2.gz BEMMHIVLQVEXMQ-HZPDHXFCSA-N 2 2 383.939 3.632 20 0 GHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441368445 854151060 /nfs/dbraw/zinc/15/10/60/854151060.db2.gz BEMMHIVLQVEXMQ-HZPDHXFCSA-N 2 2 383.939 3.632 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NCc2ccccc2C)c(C)c1 ZINC000441368600 854151220 /nfs/dbraw/zinc/15/12/20/854151220.db2.gz BPNDWMLSSADWEV-NZQKXSOJSA-N 2 2 390.531 3.844 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441417989 854199494 /nfs/dbraw/zinc/19/94/94/854199494.db2.gz HNAJPTJKYAQSTE-CKUXNOBLSA-N 2 2 395.591 3.762 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441417989 854199498 /nfs/dbraw/zinc/19/94/98/854199498.db2.gz HNAJPTJKYAQSTE-CKUXNOBLSA-N 2 2 395.591 3.762 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441417989 854199500 /nfs/dbraw/zinc/19/95/00/854199500.db2.gz HNAJPTJKYAQSTE-CKUXNOBLSA-N 2 2 395.591 3.762 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441417989 854199503 /nfs/dbraw/zinc/19/95/03/854199503.db2.gz HNAJPTJKYAQSTE-CKUXNOBLSA-N 2 2 395.591 3.762 20 0 GHADLP CC[N@H+](CCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(C)C ZINC000588277531 854267078 /nfs/dbraw/zinc/26/70/78/854267078.db2.gz LCXAFLWIKVYDSM-GOSISDBHSA-N 2 2 398.954 3.646 20 0 GHADLP CC[N@@H+](CCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(C)C ZINC000588277531 854267082 /nfs/dbraw/zinc/26/70/82/854267082.db2.gz LCXAFLWIKVYDSM-GOSISDBHSA-N 2 2 398.954 3.646 20 0 GHADLP CC(C)(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441419522 854293224 /nfs/dbraw/zinc/29/32/24/854293224.db2.gz JUUPVEDSBPKMIV-NFBKMPQASA-N 2 2 397.607 3.592 20 0 GHADLP CC(C)(C)c1ccc(CCNC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441419522 854293229 /nfs/dbraw/zinc/29/32/29/854293229.db2.gz JUUPVEDSBPKMIV-NFBKMPQASA-N 2 2 397.607 3.592 20 0 GHADLP CC(C)(C)c1ccc(CCNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441419522 854293236 /nfs/dbraw/zinc/29/32/36/854293236.db2.gz JUUPVEDSBPKMIV-NFBKMPQASA-N 2 2 397.607 3.592 20 0 GHADLP CC(C)(C)c1ccc(CCNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441419522 854293244 /nfs/dbraw/zinc/29/32/44/854293244.db2.gz JUUPVEDSBPKMIV-NFBKMPQASA-N 2 2 397.607 3.592 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cn2ccccc2n1 ZINC000572016610 854334866 /nfs/dbraw/zinc/33/48/66/854334866.db2.gz ZVLMCLDFFKAKHB-CEXWTWQISA-N 2 2 378.520 3.794 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cn2ccccc2n1 ZINC000572016610 854334873 /nfs/dbraw/zinc/33/48/73/854334873.db2.gz ZVLMCLDFFKAKHB-CEXWTWQISA-N 2 2 378.520 3.794 20 0 GHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C[C@H]1C ZINC000458893543 854475496 /nfs/dbraw/zinc/47/54/96/854475496.db2.gz XTBMOHFNZRPYQV-CVEARBPZSA-N 2 2 389.931 3.540 20 0 GHADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C[C@H]1C ZINC000458893543 854475500 /nfs/dbraw/zinc/47/55/00/854475500.db2.gz XTBMOHFNZRPYQV-CVEARBPZSA-N 2 2 389.931 3.540 20 0 GHADLP CC(C)(C)OC(=O)N1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1(C)C ZINC001167995678 854512975 /nfs/dbraw/zinc/51/29/75/854512975.db2.gz NZNPZDOLMRPKCQ-DFNIBXOVSA-N 2 2 377.573 3.723 20 0 GHADLP CC(C)(C)OC(=O)N1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1(C)C ZINC001167995678 854512977 /nfs/dbraw/zinc/51/29/77/854512977.db2.gz NZNPZDOLMRPKCQ-DFNIBXOVSA-N 2 2 377.573 3.723 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1(C)C ZINC001167995678 854512979 /nfs/dbraw/zinc/51/29/79/854512979.db2.gz NZNPZDOLMRPKCQ-DFNIBXOVSA-N 2 2 377.573 3.723 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1(C)C ZINC001167995678 854512983 /nfs/dbraw/zinc/51/29/83/854512983.db2.gz NZNPZDOLMRPKCQ-DFNIBXOVSA-N 2 2 377.573 3.723 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000482049978 862642497 /nfs/dbraw/zinc/64/24/97/862642497.db2.gz QEEVTRRLGUHXLI-XZOQPEGZSA-N 2 2 379.548 3.503 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000482049978 862642502 /nfs/dbraw/zinc/64/25/02/862642502.db2.gz QEEVTRRLGUHXLI-XZOQPEGZSA-N 2 2 379.548 3.503 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C[NH+](C)C)cc2)c(C)c1 ZINC000441479081 855234422 /nfs/dbraw/zinc/23/44/22/855234422.db2.gz GYAKMEMBDVKRHQ-QFIPXVFZSA-N 2 2 376.504 3.733 20 0 GHADLP CCC[NH+]1CCC(CNC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000441511368 855543670 /nfs/dbraw/zinc/54/36/70/855543670.db2.gz MRRGPGNQKMMEPW-JOCHJYFZSA-N 2 2 397.567 3.662 20 0 GHADLP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000056522357 855563209 /nfs/dbraw/zinc/56/32/09/855563209.db2.gz POJJHVWDWGGGAL-UHFFFAOYSA-N 2 2 391.865 3.961 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000056895368 855709248 /nfs/dbraw/zinc/70/92/48/855709248.db2.gz GPUXCPJLRNAAGF-UHFFFAOYSA-N 2 2 395.551 3.670 20 0 GHADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000591083277 855752458 /nfs/dbraw/zinc/75/24/58/855752458.db2.gz UGEXWFYQQGDHOB-HIFRSBDPSA-N 2 2 381.307 3.704 20 0 GHADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000591083277 855752462 /nfs/dbraw/zinc/75/24/62/855752462.db2.gz UGEXWFYQQGDHOB-HIFRSBDPSA-N 2 2 381.307 3.704 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1cccc(N2CCCC2=O)c1 ZINC000482123004 862733460 /nfs/dbraw/zinc/73/34/60/862733460.db2.gz RVMMYBCDIAPJPY-SJLPKXTDSA-N 2 2 380.536 3.973 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1cccc(N2CCCC2=O)c1 ZINC000482122998 862733704 /nfs/dbraw/zinc/73/37/04/862733704.db2.gz RVMMYBCDIAPJPY-AEFFLSMTSA-N 2 2 380.536 3.973 20 0 GHADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(I)cc1 ZINC000614637367 855918261 /nfs/dbraw/zinc/91/82/61/855918261.db2.gz MBJKYKBTQMLOPO-HUUCEWRRSA-N 2 2 381.261 3.543 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181109266 862756207 /nfs/dbraw/zinc/75/62/07/862756207.db2.gz WCICNLLDLQZCHC-LJQANCHMSA-N 2 2 376.504 3.823 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181109266 862756223 /nfs/dbraw/zinc/75/62/23/862756223.db2.gz WCICNLLDLQZCHC-LJQANCHMSA-N 2 2 376.504 3.823 20 0 GHADLP O=C(NCCCCNc1cccc[nH+]1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000591539866 856096265 /nfs/dbraw/zinc/09/62/65/856096265.db2.gz BXPDFNLHQKXNJH-UHFFFAOYSA-N 2 2 387.572 3.762 20 0 GHADLP Cc1ccc2nc(NC(=O)C[NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)sc2c1 ZINC000185685561 856419064 /nfs/dbraw/zinc/41/90/64/856419064.db2.gz YCERJGUZBFMRQU-HOTGVXAUSA-N 2 2 386.565 3.786 20 0 GHADLP Cc1ccc2nc(NC(=O)C[NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)sc2c1 ZINC000185685561 856419074 /nfs/dbraw/zinc/41/90/74/856419074.db2.gz YCERJGUZBFMRQU-HOTGVXAUSA-N 2 2 386.565 3.786 20 0 GHADLP C[C@H](CC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC000573806310 856490570 /nfs/dbraw/zinc/49/05/70/856490570.db2.gz BJYMKHZEESAGHS-XXBNENTESA-N 2 2 394.563 3.983 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@@H](C(N)=O)c3ccc(F)cc3)cc2)C1 ZINC000245406493 856828178 /nfs/dbraw/zinc/82/81/78/856828178.db2.gz XMOWUNVOJWADBE-HYFFOGBASA-N 2 2 383.511 3.620 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H](C(N)=O)c3ccc(F)cc3)cc2)C1 ZINC000245406493 856828183 /nfs/dbraw/zinc/82/81/83/856828183.db2.gz XMOWUNVOJWADBE-HYFFOGBASA-N 2 2 383.511 3.620 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000665253153 856969472 /nfs/dbraw/zinc/96/94/72/856969472.db2.gz IDOPOJWTDNEXHV-NZCGUCNHSA-N 2 2 399.485 3.991 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CC(=O)Nc2ccccc2C)cc1F ZINC000665258832 857203499 /nfs/dbraw/zinc/20/34/99/857203499.db2.gz MXOPOMNQRVMSRQ-MDKPJZGXSA-N 2 2 399.510 3.595 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1C ZINC000057618021 857221554 /nfs/dbraw/zinc/22/15/54/857221554.db2.gz WKLUFNYJTKNLQY-ICSRJNTNSA-N 2 2 396.535 3.684 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1C ZINC000057618021 857221561 /nfs/dbraw/zinc/22/15/61/857221561.db2.gz WKLUFNYJTKNLQY-ICSRJNTNSA-N 2 2 396.535 3.684 20 0 GHADLP Fc1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1F ZINC000282203193 857296295 /nfs/dbraw/zinc/29/62/95/857296295.db2.gz XHZHBFCUDNDLGR-HNNXBMFYSA-N 2 2 399.445 3.927 20 0 GHADLP Fc1ccc(-c2noc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1F ZINC000282203193 857296304 /nfs/dbraw/zinc/29/63/04/857296304.db2.gz XHZHBFCUDNDLGR-HNNXBMFYSA-N 2 2 399.445 3.927 20 0 GHADLP O[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000766127968 857343083 /nfs/dbraw/zinc/34/30/83/857343083.db2.gz GVGWVTUSTJPWRH-WTIAFYNJSA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000766127968 857343093 /nfs/dbraw/zinc/34/30/93/857343093.db2.gz GVGWVTUSTJPWRH-WTIAFYNJSA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000766127968 857343098 /nfs/dbraw/zinc/34/30/98/857343098.db2.gz GVGWVTUSTJPWRH-WTIAFYNJSA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000766127968 857343106 /nfs/dbraw/zinc/34/31/06/857343106.db2.gz GVGWVTUSTJPWRH-WTIAFYNJSA-N 2 2 386.486 3.985 20 0 GHADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000060335607 857425821 /nfs/dbraw/zinc/42/58/21/857425821.db2.gz FFDIHKJKUDKMHI-ROUUACIJSA-N 2 2 381.923 3.607 20 0 GHADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000060335607 857425825 /nfs/dbraw/zinc/42/58/25/857425825.db2.gz FFDIHKJKUDKMHI-ROUUACIJSA-N 2 2 381.923 3.607 20 0 GHADLP CC[NH+](CC)CCOc1cccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000907093149 857478216 /nfs/dbraw/zinc/47/82/16/857478216.db2.gz UMNGLWCXPNSMKE-KRWDZBQOSA-N 2 2 398.429 3.736 20 0 GHADLP C[NH+](C)CCCOc1cccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000668592375 857481258 /nfs/dbraw/zinc/48/12/58/857481258.db2.gz LNMHJCGSGAHLLX-OAQYLSRUSA-N 2 2 392.503 3.901 20 0 GHADLP CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000671721237 857494667 /nfs/dbraw/zinc/49/46/67/857494667.db2.gz WAJUZIDEUIKCTJ-UGDJJAPTSA-N 2 2 389.628 3.904 20 0 GHADLP CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000671721237 857494674 /nfs/dbraw/zinc/49/46/74/857494674.db2.gz WAJUZIDEUIKCTJ-UGDJJAPTSA-N 2 2 389.628 3.904 20 0 GHADLP O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000061571048 857531819 /nfs/dbraw/zinc/53/18/19/857531819.db2.gz MAEDWXIAHXYNMJ-UHFFFAOYSA-N 2 2 392.528 3.733 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000675710796 857575181 /nfs/dbraw/zinc/57/51/81/857575181.db2.gz NDQNNPRNNIGJQI-HXUWFJFHSA-N 2 2 398.595 3.688 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000675710796 857575194 /nfs/dbraw/zinc/57/51/94/857575194.db2.gz NDQNNPRNNIGJQI-HXUWFJFHSA-N 2 2 398.595 3.688 20 0 GHADLP Brc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675883096 857660064 /nfs/dbraw/zinc/66/00/64/857660064.db2.gz WJMMRHRACKUUSJ-MAUKXSAKSA-N 2 2 395.341 3.506 20 0 GHADLP CC(C)CC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000675886297 857661190 /nfs/dbraw/zinc/66/11/90/857661190.db2.gz QQDNKLUPJPGKGI-FGZHOGPDSA-N 2 2 394.003 3.813 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923750 857667711 /nfs/dbraw/zinc/66/77/11/857667711.db2.gz USLNYBBXPGCNQJ-JXFKEZNVSA-N 2 2 380.467 3.850 20 0 GHADLP O=C(c1ccc(NC2=[NH+]CCC2)cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000907836235 857802438 /nfs/dbraw/zinc/80/24/38/857802438.db2.gz KPUUQGTYKBPCJF-UHFFFAOYSA-N 2 2 391.519 3.843 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065860515 857867247 /nfs/dbraw/zinc/86/72/47/857867247.db2.gz XKBACJHVTDNZCP-SFHVURJKSA-N 2 2 378.451 3.862 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065860515 857867251 /nfs/dbraw/zinc/86/72/51/857867251.db2.gz XKBACJHVTDNZCP-SFHVURJKSA-N 2 2 378.451 3.862 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(C4CCCCC4)cc3)C2)CC1 ZINC000668638893 857875109 /nfs/dbraw/zinc/87/51/09/857875109.db2.gz CGOCGAYNWABBLW-JOCHJYFZSA-N 2 2 383.580 3.562 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccc(C4CCCCC4)cc3)C2)CC1 ZINC000668638893 857875121 /nfs/dbraw/zinc/87/51/21/857875121.db2.gz CGOCGAYNWABBLW-JOCHJYFZSA-N 2 2 383.580 3.562 20 0 GHADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543043402 858053402 /nfs/dbraw/zinc/05/34/02/858053402.db2.gz VKZRBKYYBLOTRK-OAQYLSRUSA-N 2 2 389.588 3.595 20 0 GHADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543043402 858053413 /nfs/dbraw/zinc/05/34/13/858053413.db2.gz VKZRBKYYBLOTRK-OAQYLSRUSA-N 2 2 389.588 3.595 20 0 GHADLP CSc1ccccc1[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000442712619 858068195 /nfs/dbraw/zinc/06/81/95/858068195.db2.gz GQCGOPVESBXQKS-KRWDZBQOSA-N 2 2 383.561 3.647 20 0 GHADLP O[C@H](Cc1ccccc1C(F)(F)F)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060014 858117118 /nfs/dbraw/zinc/11/71/18/858117118.db2.gz QURMJEFNJNSJJF-LJQANCHMSA-N 2 2 395.469 3.998 20 0 GHADLP CC(C)Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)[NH+](C)C)cc1 ZINC000673219440 858423657 /nfs/dbraw/zinc/42/36/57/858423657.db2.gz QWJQGGVMJZZGPZ-YADHBBJMSA-N 2 2 397.567 3.731 20 0 GHADLP C[NH+]1CCC(CNC(=O)N2CCC3(CCCCC3)CC2)([NH+]2CCCCC2)CC1 ZINC000466139158 858442319 /nfs/dbraw/zinc/44/23/19/858442319.db2.gz KQTPHBGRSGHEBY-UHFFFAOYSA-N 2 2 390.616 3.693 20 0 GHADLP Clc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCCCO2 ZINC000676712934 858774061 /nfs/dbraw/zinc/77/40/61/858774061.db2.gz UBWZMWNSTMLHED-VQIMIIECSA-N 2 2 376.928 3.950 20 0 GHADLP Clc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCCCO2 ZINC000676712934 858774065 /nfs/dbraw/zinc/77/40/65/858774065.db2.gz UBWZMWNSTMLHED-VQIMIIECSA-N 2 2 376.928 3.950 20 0 GHADLP Clc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCCCO2 ZINC000676712934 858774070 /nfs/dbraw/zinc/77/40/70/858774070.db2.gz UBWZMWNSTMLHED-VQIMIIECSA-N 2 2 376.928 3.950 20 0 GHADLP Clc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc2c1OCCCO2 ZINC000676712934 858774075 /nfs/dbraw/zinc/77/40/75/858774075.db2.gz UBWZMWNSTMLHED-VQIMIIECSA-N 2 2 376.928 3.950 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(Cl)cc3F)C2)ccn1 ZINC000856551262 881370677 /nfs/dbraw/zinc/37/06/77/881370677.db2.gz NYDCAXLAHFGECV-IBGZPJMESA-N 2 2 377.891 3.979 20 0 GHADLP CN(Cc1ccc(Oc2ccc(F)cc2)nc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668162186 858975286 /nfs/dbraw/zinc/97/52/86/858975286.db2.gz QORRXUQIPYMZMK-NRFANRHFSA-N 2 2 398.526 3.613 20 0 GHADLP CN(Cc1ccc(Oc2ccc(F)cc2)nc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668162186 858975294 /nfs/dbraw/zinc/97/52/94/858975294.db2.gz QORRXUQIPYMZMK-NRFANRHFSA-N 2 2 398.526 3.613 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(Cl)cc3F)C2)ccn1 ZINC000856551262 881370698 /nfs/dbraw/zinc/37/06/98/881370698.db2.gz NYDCAXLAHFGECV-IBGZPJMESA-N 2 2 377.891 3.979 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3F)C2)ccn1 ZINC000856551262 881370718 /nfs/dbraw/zinc/37/07/18/881370718.db2.gz NYDCAXLAHFGECV-IBGZPJMESA-N 2 2 377.891 3.979 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3F)C2)ccn1 ZINC000856551262 881370739 /nfs/dbraw/zinc/37/07/39/881370739.db2.gz NYDCAXLAHFGECV-IBGZPJMESA-N 2 2 377.891 3.979 20 0 GHADLP COc1ccc([C@@H]2CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000509309441 859009435 /nfs/dbraw/zinc/00/94/35/859009435.db2.gz DWFBKHCRSIVMHS-JOCHJYFZSA-N 2 2 379.548 3.697 20 0 GHADLP COc1ccc([C@@H]2CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000509309441 859009439 /nfs/dbraw/zinc/00/94/39/859009439.db2.gz DWFBKHCRSIVMHS-JOCHJYFZSA-N 2 2 379.548 3.697 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(F)c(F)cc3F)C2)ccn1 ZINC000856553878 881391421 /nfs/dbraw/zinc/39/14/21/881391421.db2.gz YHTBDQARIXSEFL-QGZVFWFLSA-N 2 2 379.426 3.604 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(F)c(F)cc3F)C2)ccn1 ZINC000856553878 881391485 /nfs/dbraw/zinc/39/14/85/881391485.db2.gz YHTBDQARIXSEFL-QGZVFWFLSA-N 2 2 379.426 3.604 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(F)c(F)cc3F)C2)ccn1 ZINC000856553878 881391558 /nfs/dbraw/zinc/39/15/58/881391558.db2.gz YHTBDQARIXSEFL-QGZVFWFLSA-N 2 2 379.426 3.604 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3F)C2)ccn1 ZINC000856553878 881391621 /nfs/dbraw/zinc/39/16/21/881391621.db2.gz YHTBDQARIXSEFL-QGZVFWFLSA-N 2 2 379.426 3.604 20 0 GHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000113586845 859228532 /nfs/dbraw/zinc/22/85/32/859228532.db2.gz KMUHMZNMJMOFFK-GOSISDBHSA-N 2 2 395.551 3.610 20 0 GHADLP Cc1noc(C)c1C[NH+]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000509379428 859237427 /nfs/dbraw/zinc/23/74/27/859237427.db2.gz NPYZPJQQPRKKAS-UHFFFAOYSA-N 2 2 384.568 3.567 20 0 GHADLP Cc1noc(C)c1C[NH+]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000509379428 859237433 /nfs/dbraw/zinc/23/74/33/859237433.db2.gz NPYZPJQQPRKKAS-UHFFFAOYSA-N 2 2 384.568 3.567 20 0 GHADLP CN(C(=O)CCc1ccc(Cl)cc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472738 859284977 /nfs/dbraw/zinc/28/49/77/859284977.db2.gz QPFLPMAMMOYTOI-SFHVURJKSA-N 2 2 398.378 3.553 20 0 GHADLP CN(C(=O)CCc1ccc(Cl)cc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472738 859284987 /nfs/dbraw/zinc/28/49/87/859284987.db2.gz QPFLPMAMMOYTOI-SFHVURJKSA-N 2 2 398.378 3.553 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000483333210 859290335 /nfs/dbraw/zinc/29/03/35/859290335.db2.gz CWIOTVJFMZWPPL-INIZCTEOSA-N 2 2 396.441 3.634 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000483333210 859290346 /nfs/dbraw/zinc/29/03/46/859290346.db2.gz CWIOTVJFMZWPPL-INIZCTEOSA-N 2 2 396.441 3.634 20 0 GHADLP CN(C(=O)CC1CCC(c2ccccc2)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479504 859293160 /nfs/dbraw/zinc/29/31/60/859293160.db2.gz OSPVEASHBWQAHA-JVPYDEADSA-N 2 2 397.607 3.977 20 0 GHADLP CN(C(=O)CC1CCC(c2ccccc2)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479504 859293170 /nfs/dbraw/zinc/29/31/70/859293170.db2.gz OSPVEASHBWQAHA-JVPYDEADSA-N 2 2 397.607 3.977 20 0 GHADLP COC(=O)c1oc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1C ZINC000597228088 859363197 /nfs/dbraw/zinc/36/31/97/859363197.db2.gz CQLDKPKPYNRNNR-LJQANCHMSA-N 2 2 382.504 3.767 20 0 GHADLP COC(=O)c1oc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1C ZINC000597228088 859363207 /nfs/dbraw/zinc/36/32/07/859363207.db2.gz CQLDKPKPYNRNNR-LJQANCHMSA-N 2 2 382.504 3.767 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1nnn(-c3ccc(Cl)cc3)c1C)CCC2 ZINC000483449927 859366894 /nfs/dbraw/zinc/36/68/94/859366894.db2.gz QIGWQURUUNVUEL-GDBMZVCRSA-N 2 2 384.915 3.962 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1nnn(-c3ccc(Cl)cc3)c1C)CCC2 ZINC000483449930 859366957 /nfs/dbraw/zinc/36/69/57/859366957.db2.gz QIGWQURUUNVUEL-ZBFHGGJFSA-N 2 2 384.915 3.962 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1N(C)C ZINC000429445007 859390880 /nfs/dbraw/zinc/39/08/80/859390880.db2.gz IIIIQWGWUHRUSE-RXVVDRJESA-N 2 2 385.527 3.833 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1N(C)C ZINC000429445007 859390886 /nfs/dbraw/zinc/39/08/86/859390886.db2.gz IIIIQWGWUHRUSE-RXVVDRJESA-N 2 2 385.527 3.833 20 0 GHADLP Fc1cc([C@@H]2CCCC[C@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc(F)c1F ZINC000895437480 859463251 /nfs/dbraw/zinc/46/32/51/859463251.db2.gz VWILFKVVNZXOGD-FUHIMQAGSA-N 2 2 382.470 3.973 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191835934 859515379 /nfs/dbraw/zinc/51/53/79/859515379.db2.gz POLGSHPKQYBXIB-RXVVDRJESA-N 2 2 384.520 3.646 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191835934 859515384 /nfs/dbraw/zinc/51/53/84/859515384.db2.gz POLGSHPKQYBXIB-RXVVDRJESA-N 2 2 384.520 3.646 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(F)c(F)c(F)c3)C2)ccn1 ZINC000856559414 881438448 /nfs/dbraw/zinc/43/84/48/881438448.db2.gz HEFFMLBVIDQTLP-GOSISDBHSA-N 2 2 393.453 3.992 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(F)c(F)c(F)c3)C2)ccn1 ZINC000856559414 881438453 /nfs/dbraw/zinc/43/84/53/881438453.db2.gz HEFFMLBVIDQTLP-GOSISDBHSA-N 2 2 393.453 3.992 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(F)c(F)c(F)c3)C2)ccn1 ZINC000856559414 881438457 /nfs/dbraw/zinc/43/84/57/881438457.db2.gz HEFFMLBVIDQTLP-GOSISDBHSA-N 2 2 393.453 3.992 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(F)c(F)c(F)c3)C2)ccn1 ZINC000856559414 881438461 /nfs/dbraw/zinc/43/84/61/881438461.db2.gz HEFFMLBVIDQTLP-GOSISDBHSA-N 2 2 393.453 3.992 20 0 GHADLP C[C@H](C[C@H]1CCOC1)[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000764885438 859660752 /nfs/dbraw/zinc/66/07/52/859660752.db2.gz XKQIYYKHNCYCRR-QZTJIDSGSA-N 2 2 399.501 3.622 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(Cl)cccc3OC(F)F)C2)CC1 ZINC000611276269 859678216 /nfs/dbraw/zinc/67/82/16/859678216.db2.gz ILMPWELZLJNHAH-OAHLLOKOSA-N 2 2 387.902 3.542 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(Cl)cccc3OC(F)F)C2)CC1 ZINC000611276269 859678218 /nfs/dbraw/zinc/67/82/18/859678218.db2.gz ILMPWELZLJNHAH-OAHLLOKOSA-N 2 2 387.902 3.542 20 0 GHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474320155 859830622 /nfs/dbraw/zinc/83/06/22/859830622.db2.gz BNYWLIRBHLVZCA-LEWJYISDSA-N 2 2 399.510 3.727 20 0 GHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474320155 859830629 /nfs/dbraw/zinc/83/06/29/859830629.db2.gz BNYWLIRBHLVZCA-LEWJYISDSA-N 2 2 399.510 3.727 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(OC(F)F)c1 ZINC000484148821 859837468 /nfs/dbraw/zinc/83/74/68/859837468.db2.gz USQDAVUNWMNCLS-LDQXTDLNSA-N 2 2 390.474 3.822 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(OC(F)F)c1 ZINC000484148821 859837476 /nfs/dbraw/zinc/83/74/76/859837476.db2.gz USQDAVUNWMNCLS-LDQXTDLNSA-N 2 2 390.474 3.822 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000484151429 859838427 /nfs/dbraw/zinc/83/84/27/859838427.db2.gz GSRYGKVDKWRDHE-MDNUFGMLSA-N 2 2 392.543 3.906 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000484151429 859838432 /nfs/dbraw/zinc/83/84/32/859838432.db2.gz GSRYGKVDKWRDHE-MDNUFGMLSA-N 2 2 392.543 3.906 20 0 GHADLP O[C@@]1(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484137287 859845668 /nfs/dbraw/zinc/84/56/68/859845668.db2.gz CSZBWIXUUFMWOO-RBBKRZOGSA-N 2 2 386.923 3.780 20 0 GHADLP O[C@@]1(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484137287 859845675 /nfs/dbraw/zinc/84/56/75/859845675.db2.gz CSZBWIXUUFMWOO-RBBKRZOGSA-N 2 2 386.923 3.780 20 0 GHADLP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)c1ccc(F)cc1 ZINC000053088372 860024706 /nfs/dbraw/zinc/02/47/06/860024706.db2.gz MKDUPVYIECEWCZ-GOSISDBHSA-N 2 2 399.510 3.680 20 0 GHADLP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)c1ccc(F)cc1 ZINC000053088372 860024720 /nfs/dbraw/zinc/02/47/20/860024720.db2.gz MKDUPVYIECEWCZ-GOSISDBHSA-N 2 2 399.510 3.680 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1nc(Br)cs1 ZINC000842922795 860170389 /nfs/dbraw/zinc/17/03/89/860170389.db2.gz DRFJZGDCRRQESY-CFVMTHIKSA-N 2 2 380.355 3.902 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1nc(Br)cs1 ZINC000842922795 860170391 /nfs/dbraw/zinc/17/03/91/860170391.db2.gz DRFJZGDCRRQESY-CFVMTHIKSA-N 2 2 380.355 3.902 20 0 GHADLP C[C@H]1CC([NH2+]Cc2ccnn2CC(F)(F)F)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168037043 860362505 /nfs/dbraw/zinc/36/25/05/860362505.db2.gz YMLADKDNZLTKIB-HOTGVXAUSA-N 2 2 380.458 3.977 20 0 GHADLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cnn(-c2ccccc2)c1 ZINC000765682687 860404151 /nfs/dbraw/zinc/40/41/51/860404151.db2.gz KEPYQUOMOGSJFV-RDPSFJRHSA-N 2 2 389.547 3.512 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C(C)(C)[NH3+])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000904597875 860526960 /nfs/dbraw/zinc/52/69/60/860526960.db2.gz UYTTUNBTSAZPKK-MOPGFXCFSA-N 2 2 388.462 3.726 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C(C)(C)[NH3+])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000904597875 860526970 /nfs/dbraw/zinc/52/69/70/860526970.db2.gz UYTTUNBTSAZPKK-MOPGFXCFSA-N 2 2 388.462 3.726 20 0 GHADLP C[C@H]1CC[N@H+](Cc2nc3cc(Br)ccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000509023834 860582317 /nfs/dbraw/zinc/58/23/17/860582317.db2.gz YRPOBQHBEDUMHY-WFASDCNBSA-N 2 2 375.270 3.870 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2nc3cc(Br)ccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000509023834 860582320 /nfs/dbraw/zinc/58/23/20/860582320.db2.gz YRPOBQHBEDUMHY-WFASDCNBSA-N 2 2 375.270 3.870 20 0 GHADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000532230661 881555894 /nfs/dbraw/zinc/55/58/94/881555894.db2.gz JDSYFTBUXCMATJ-CALCHBBNSA-N 2 2 377.960 3.797 20 0 GHADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000532230661 881555902 /nfs/dbraw/zinc/55/59/02/881555902.db2.gz JDSYFTBUXCMATJ-CALCHBBNSA-N 2 2 377.960 3.797 20 0 GHADLP O=C1COc2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)cc2N1 ZINC000509071346 860797099 /nfs/dbraw/zinc/79/70/99/860797099.db2.gz PRYQSZHEIHAOMC-IFMALSPDSA-N 2 2 391.515 3.504 20 0 GHADLP O=C1COc2ccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)cc2N1 ZINC000509071346 860797106 /nfs/dbraw/zinc/79/71/06/860797106.db2.gz PRYQSZHEIHAOMC-IFMALSPDSA-N 2 2 391.515 3.504 20 0 GHADLP O=C1COc2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2N1 ZINC000509071346 860797114 /nfs/dbraw/zinc/79/71/14/860797114.db2.gz PRYQSZHEIHAOMC-IFMALSPDSA-N 2 2 391.515 3.504 20 0 GHADLP O=C1COc2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)cc2N1 ZINC000509071346 860797119 /nfs/dbraw/zinc/79/71/19/860797119.db2.gz PRYQSZHEIHAOMC-IFMALSPDSA-N 2 2 391.515 3.504 20 0 GHADLP Clc1cccc(N2CCOCC2)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000557032417 881584870 /nfs/dbraw/zinc/58/48/70/881584870.db2.gz OCZIXONWECGZPC-UHFFFAOYSA-N 2 2 399.966 3.931 20 0 GHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+]([C@@H]4CCCc5ccccc54)C3)CC2)nc1 ZINC000498581298 861005813 /nfs/dbraw/zinc/00/58/13/861005813.db2.gz WGKSSPOSYUYQET-ZJSXRUAMSA-N 2 2 390.575 3.993 20 0 GHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+]([C@@H]4CCCc5ccccc54)C3)CC2)nc1 ZINC000498581298 861005828 /nfs/dbraw/zinc/00/58/28/861005828.db2.gz WGKSSPOSYUYQET-ZJSXRUAMSA-N 2 2 390.575 3.993 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC000625143441 861016448 /nfs/dbraw/zinc/01/64/48/861016448.db2.gz QOIGESCRCKDAOX-QZTJIDSGSA-N 2 2 399.535 3.983 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000176762497 861044292 /nfs/dbraw/zinc/04/42/92/861044292.db2.gz NAVJUZGFEFSSMO-UHFFFAOYSA-N 2 2 398.894 3.961 20 0 GHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc2ccccc21 ZINC000177272214 861178573 /nfs/dbraw/zinc/17/85/73/861178573.db2.gz SIFGLLMOHRVXBX-LJQANCHMSA-N 2 2 388.515 3.624 20 0 GHADLP Cc1cc([C@@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)c(C)s1 ZINC000182741159 863342817 /nfs/dbraw/zinc/34/28/17/863342817.db2.gz BBYPKLGBSPYKPA-CYBMUJFWSA-N 2 2 378.567 3.707 20 0 GHADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000183279724 863527263 /nfs/dbraw/zinc/52/72/63/863527263.db2.gz FKSHDNPVZLYWMH-RUZDIDTESA-N 2 2 393.575 3.623 20 0 GHADLP C[NH+](C)Cc1cc(C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)ccc1F ZINC000281963832 863566751 /nfs/dbraw/zinc/56/67/51/863566751.db2.gz JOBOHRIMRDSTRV-UHFFFAOYSA-N 2 2 394.516 3.981 20 0 GHADLP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)Nc1ccc2[nH+]ccn2c1 ZINC000606583795 863733104 /nfs/dbraw/zinc/73/31/04/863733104.db2.gz OAKSZWDAIODLMS-SFHVURJKSA-N 2 2 383.883 3.946 20 0 GHADLP CCc1cnc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000120742350 881701818 /nfs/dbraw/zinc/70/18/18/881701818.db2.gz SEAUNRJLRLOQDP-MSOLQXFVSA-N 2 2 393.601 3.506 20 0 GHADLP CCc1cnc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000120742350 881701830 /nfs/dbraw/zinc/70/18/30/881701830.db2.gz SEAUNRJLRLOQDP-MSOLQXFVSA-N 2 2 393.601 3.506 20 0 GHADLP Cc1cc(C)nc(N2CC[NH+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001168055291 864005569 /nfs/dbraw/zinc/00/55/69/864005569.db2.gz USNNZTIYMZGYKQ-NHCUHLMSSA-N 2 2 393.579 3.657 20 0 GHADLP CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000159023315 864012647 /nfs/dbraw/zinc/01/26/47/864012647.db2.gz JPKOQDGEHRWSQN-DNQXCXABSA-N 2 2 391.559 3.875 20 0 GHADLP CN(C)C(=O)c1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000159023315 864012660 /nfs/dbraw/zinc/01/26/60/864012660.db2.gz JPKOQDGEHRWSQN-DNQXCXABSA-N 2 2 391.559 3.875 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000159023315 864012669 /nfs/dbraw/zinc/01/26/69/864012669.db2.gz JPKOQDGEHRWSQN-DNQXCXABSA-N 2 2 391.559 3.875 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000159023315 864012674 /nfs/dbraw/zinc/01/26/74/864012674.db2.gz JPKOQDGEHRWSQN-DNQXCXABSA-N 2 2 391.559 3.875 20 0 GHADLP CN(C(=O)c1ccc(Cl)c(F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000159217375 864423384 /nfs/dbraw/zinc/42/33/84/864423384.db2.gz XTQNIQPQEIGUDY-PMACEKPBSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1ccc(Cl)c(F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000159217375 864423390 /nfs/dbraw/zinc/42/33/90/864423390.db2.gz XTQNIQPQEIGUDY-PMACEKPBSA-N 2 2 395.950 3.888 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCNc1cccc[nH+]1 ZINC000163850183 864571048 /nfs/dbraw/zinc/57/10/48/864571048.db2.gz OPACIHGFHIUKIF-AWEZNQCLSA-N 2 2 391.313 3.653 20 0 GHADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3cccc(-n4cc[nH+]c4)c3)ccc21 ZINC000455946110 864610657 /nfs/dbraw/zinc/61/06/57/864610657.db2.gz WRGBLPZSERFXCX-OAQYLSRUSA-N 2 2 375.476 3.743 20 0 GHADLP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c2ccccc2C1 ZINC000494491236 881790422 /nfs/dbraw/zinc/79/04/22/881790422.db2.gz ZTIUINFHJPNOLH-KOSHJBKYSA-N 2 2 392.547 3.690 20 0 GHADLP C[C@@H]1CN(c2ccc(N[C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)c[nH+]2)C[C@H](C)O1 ZINC000550784798 881809804 /nfs/dbraw/zinc/80/98/04/881809804.db2.gz XXSXMZLKVNTSRD-MXKPZRPRSA-N 2 2 380.536 3.943 20 0 GHADLP C[C@@H]1CN(c2ccc(N[C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)c[nH+]2)C[C@H](C)O1 ZINC000550784798 881809815 /nfs/dbraw/zinc/80/98/15/881809815.db2.gz XXSXMZLKVNTSRD-MXKPZRPRSA-N 2 2 380.536 3.943 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000444343942 864978110 /nfs/dbraw/zinc/97/81/10/864978110.db2.gz NOWIILGEESBFDJ-MGPUTAFESA-N 2 2 397.548 3.905 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000667735357 865139999 /nfs/dbraw/zinc/13/99/99/865139999.db2.gz RCQNVDQTOFYWFK-MJGOQNOKSA-N 2 2 392.425 3.520 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000667735357 865140005 /nfs/dbraw/zinc/14/00/05/865140005.db2.gz RCQNVDQTOFYWFK-MJGOQNOKSA-N 2 2 392.425 3.520 20 0 GHADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1nc(C[NH+]2CCC[C@@H](C)C2)cs1 ZINC000554920312 865143225 /nfs/dbraw/zinc/14/32/25/865143225.db2.gz STQKFGRFPQGJME-HZPDHXFCSA-N 2 2 381.590 3.617 20 0 GHADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1nc(C[NH+]2CCC[C@@H](C)C2)cs1 ZINC000554920312 865143229 /nfs/dbraw/zinc/14/32/29/865143229.db2.gz STQKFGRFPQGJME-HZPDHXFCSA-N 2 2 381.590 3.617 20 0 GHADLP CCCC[NH+](C)C[C@@H](C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000554920312 865143233 /nfs/dbraw/zinc/14/32/33/865143233.db2.gz STQKFGRFPQGJME-HZPDHXFCSA-N 2 2 381.590 3.617 20 0 GHADLP CCCC[NH+](C)C[C@@H](C)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000554920312 865143241 /nfs/dbraw/zinc/14/32/41/865143241.db2.gz STQKFGRFPQGJME-HZPDHXFCSA-N 2 2 381.590 3.617 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+]2CCSCC2)CCCC1 ZINC000480773377 865272048 /nfs/dbraw/zinc/27/20/48/865272048.db2.gz XAKZGUXPUUIPIX-UNMCSNQZSA-N 2 2 387.637 3.848 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+]2CCSCC2)CCCC1 ZINC000480773377 865272054 /nfs/dbraw/zinc/27/20/54/865272054.db2.gz XAKZGUXPUUIPIX-UNMCSNQZSA-N 2 2 387.637 3.848 20 0 GHADLP CCC[C@H]1CCCC[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000608669676 865573806 /nfs/dbraw/zinc/57/38/06/865573806.db2.gz YPVOOKSJEXORHX-VQTJNVASSA-N 2 2 378.605 3.595 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000481166679 865909510 /nfs/dbraw/zinc/90/95/10/865909510.db2.gz BOUGZEJKFGXOHS-QUCCMNQESA-N 2 2 395.572 3.626 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000481166679 865909516 /nfs/dbraw/zinc/90/95/16/865909516.db2.gz BOUGZEJKFGXOHS-QUCCMNQESA-N 2 2 395.572 3.626 20 0 GHADLP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1 ZINC000481169478 865912367 /nfs/dbraw/zinc/91/23/67/865912367.db2.gz CDYSYQRJPMMGDY-CROMWVBPSA-N 2 2 397.538 3.892 20 0 GHADLP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1 ZINC000481169478 865912373 /nfs/dbraw/zinc/91/23/73/865912373.db2.gz CDYSYQRJPMMGDY-CROMWVBPSA-N 2 2 397.538 3.892 20 0 GHADLP CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481181223 865940389 /nfs/dbraw/zinc/94/03/89/865940389.db2.gz NNASUSRKYPRPFU-SELNLUPBSA-N 2 2 395.547 3.913 20 0 GHADLP CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481181223 865940400 /nfs/dbraw/zinc/94/04/00/865940400.db2.gz NNASUSRKYPRPFU-SELNLUPBSA-N 2 2 395.547 3.913 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(C)Cc1cccc(F)c1 ZINC000481184539 865947341 /nfs/dbraw/zinc/94/73/41/865947341.db2.gz CWWKMAIUPIRJEA-SFYKDHMMSA-N 2 2 397.538 3.673 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(C)Cc1cccc(F)c1 ZINC000481184539 865947350 /nfs/dbraw/zinc/94/73/50/865947350.db2.gz CWWKMAIUPIRJEA-SFYKDHMMSA-N 2 2 397.538 3.673 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000481186403 865950821 /nfs/dbraw/zinc/95/08/21/865950821.db2.gz FTPMCOCRCJYXAU-HBGVWJBISA-N 2 2 399.485 3.570 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000481186403 865950832 /nfs/dbraw/zinc/95/08/32/865950832.db2.gz FTPMCOCRCJYXAU-HBGVWJBISA-N 2 2 399.485 3.570 20 0 GHADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481174448 865962183 /nfs/dbraw/zinc/96/21/83/865962183.db2.gz KXMMTZLWDMISHX-BBTUJRGHSA-N 2 2 383.511 3.961 20 0 GHADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481174448 865962191 /nfs/dbraw/zinc/96/21/91/865962191.db2.gz KXMMTZLWDMISHX-BBTUJRGHSA-N 2 2 383.511 3.961 20 0 GHADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(Br)cn1 ZINC000555377436 866029262 /nfs/dbraw/zinc/02/92/62/866029262.db2.gz UCRHHRNCISUDKD-HNNXBMFYSA-N 2 2 385.309 3.982 20 0 GHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444411307 866084561 /nfs/dbraw/zinc/08/45/61/866084561.db2.gz LYONZLAYZLNQCU-HXUWFJFHSA-N 2 2 395.551 3.502 20 0 GHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444411307 866084575 /nfs/dbraw/zinc/08/45/75/866084575.db2.gz LYONZLAYZLNQCU-HXUWFJFHSA-N 2 2 395.551 3.502 20 0 GHADLP Cc1c(O)ccc2c(C[NH+]3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)cc(=O)oc12 ZINC000303556404 866238803 /nfs/dbraw/zinc/23/88/03/866238803.db2.gz HSYKRVRXOZBBSS-SJLPKXTDSA-N 2 2 384.520 3.893 20 0 GHADLP Cc1c(O)ccc2c(C[NH+]3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)cc(=O)oc12 ZINC000303556404 866238821 /nfs/dbraw/zinc/23/88/21/866238821.db2.gz HSYKRVRXOZBBSS-SJLPKXTDSA-N 2 2 384.520 3.893 20 0 GHADLP Cc1c(O)ccc2c(C[N@H+]3CCC[C@@H](C[NH+]4CCCC[C@H]4C)C3)cc(=O)oc12 ZINC000303556404 866238838 /nfs/dbraw/zinc/23/88/38/866238838.db2.gz HSYKRVRXOZBBSS-SJLPKXTDSA-N 2 2 384.520 3.893 20 0 GHADLP Cc1c(O)ccc2c(C[N@@H+]3CCC[C@@H](C[NH+]4CCCC[C@H]4C)C3)cc(=O)oc12 ZINC000303556404 866238853 /nfs/dbraw/zinc/23/88/53/866238853.db2.gz HSYKRVRXOZBBSS-SJLPKXTDSA-N 2 2 384.520 3.893 20 0 GHADLP C[C@@H]1C[N@@H+](CCCNc2cc[nH+]c3c(Br)cccc23)C[C@H](C)O1 ZINC000523299017 867013908 /nfs/dbraw/zinc/01/39/08/867013908.db2.gz UBGUJSUOYUFEDX-OKILXGFUSA-N 2 2 378.314 3.909 20 0 GHADLP C[C@@H]1C[N@H+](CCCNc2cc[nH+]c3c(Br)cccc23)C[C@H](C)O1 ZINC000523299017 867013916 /nfs/dbraw/zinc/01/39/16/867013916.db2.gz UBGUJSUOYUFEDX-OKILXGFUSA-N 2 2 378.314 3.909 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000620754068 867263477 /nfs/dbraw/zinc/26/34/77/867263477.db2.gz TURNAXFMMGNBRV-ROUUACIJSA-N 2 2 397.357 3.581 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000620754068 867263492 /nfs/dbraw/zinc/26/34/92/867263492.db2.gz TURNAXFMMGNBRV-ROUUACIJSA-N 2 2 397.357 3.581 20 0 GHADLP COc1ccc([C@H](CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)[NH+]2CCCC2)cc1 ZINC000523423962 867295519 /nfs/dbraw/zinc/29/55/19/867295519.db2.gz SJKQNQXEIHTNPK-FQEVSTJZSA-N 2 2 393.491 3.610 20 0 GHADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000534844316 867585192 /nfs/dbraw/zinc/58/51/92/867585192.db2.gz JAZQPFPSLSQEQU-UHFFFAOYSA-N 2 2 398.514 3.595 20 0 GHADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465567993 867628560 /nfs/dbraw/zinc/62/85/60/867628560.db2.gz HLWQEBDTIQQNME-NJDAHSKKSA-N 2 2 392.632 3.697 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157223874 868595366 /nfs/dbraw/zinc/59/53/66/868595366.db2.gz HAUDDAWNZLLKIE-QRVBRYPASA-N 2 2 391.519 3.732 20 0 GHADLP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H](C)Cn4cc[nH+]c4)cc3)nc12 ZINC000621055883 868611554 /nfs/dbraw/zinc/61/15/54/868611554.db2.gz LFUQARLIOKBFKU-SFHVURJKSA-N 2 2 375.476 3.597 20 0 GHADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000157291944 868616004 /nfs/dbraw/zinc/61/60/04/868616004.db2.gz PKPDNMOHXRMKQH-YUXAGFNASA-N 2 2 386.584 3.726 20 0 GHADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000157291944 868616010 /nfs/dbraw/zinc/61/60/10/868616010.db2.gz PKPDNMOHXRMKQH-YUXAGFNASA-N 2 2 386.584 3.726 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000479880666 868651263 /nfs/dbraw/zinc/65/12/63/868651263.db2.gz GOLOMQDUGSOPSH-BWKNWUBXSA-N 2 2 393.575 3.519 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000479880666 868651270 /nfs/dbraw/zinc/65/12/70/868651270.db2.gz GOLOMQDUGSOPSH-BWKNWUBXSA-N 2 2 393.575 3.519 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000479880666 868651278 /nfs/dbraw/zinc/65/12/78/868651278.db2.gz GOLOMQDUGSOPSH-BWKNWUBXSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000479880666 868651281 /nfs/dbraw/zinc/65/12/81/868651281.db2.gz GOLOMQDUGSOPSH-BWKNWUBXSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000766305973 868725713 /nfs/dbraw/zinc/72/57/13/868725713.db2.gz SSHUMXREWWDFRV-QAPCUYQASA-N 2 2 397.910 3.759 20 0 GHADLP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000554123636 868788155 /nfs/dbraw/zinc/78/81/55/868788155.db2.gz NZZNGYOFBKATQE-URXFXBBRSA-N 2 2 391.559 3.774 20 0 GHADLP CCn1c2ccccc2n(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1=S ZINC000744439829 868840339 /nfs/dbraw/zinc/84/03/39/868840339.db2.gz CIEPLRCHPJOWNE-UHFFFAOYSA-N 2 2 388.581 3.726 20 0 GHADLP FC(F)(F)Oc1ccc(OCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000535573483 869024738 /nfs/dbraw/zinc/02/47/38/869024738.db2.gz ALWSONIESPKJTO-UHFFFAOYSA-N 2 2 381.398 3.936 20 0 GHADLP Cn1cc(-c2ccc(C[NH2+][C@H](Cc3[nH+]ccn3C)c3ccccc3)s2)cn1 ZINC000669830037 869333438 /nfs/dbraw/zinc/33/34/38/869333438.db2.gz PKLWGAGNZYJACU-LJQANCHMSA-N 2 2 377.517 3.956 20 0 GHADLP COc1cc(C)c([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1OC ZINC000539660585 869547303 /nfs/dbraw/zinc/54/73/03/869547303.db2.gz ZQLJBGIXRQZLMQ-AEFFLSMTSA-N 2 2 384.524 3.721 20 0 GHADLP Cc1cccc(C)c1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539707487 869632987 /nfs/dbraw/zinc/63/29/87/869632987.db2.gz CQADBMJFGLWUIQ-PKTZIBPZSA-N 2 2 385.596 3.642 20 0 GHADLP Cc1cccc(C)c1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539707487 869632993 /nfs/dbraw/zinc/63/29/93/869632993.db2.gz CQADBMJFGLWUIQ-PKTZIBPZSA-N 2 2 385.596 3.642 20 0 GHADLP COc1ccc([C@H](CN(C)C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000793571803 882322632 /nfs/dbraw/zinc/32/26/32/882322632.db2.gz LXEGIKFIWANTSF-DEOSSOPVSA-N 2 2 396.579 3.623 20 0 GHADLP Cc1ccc([C@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000525177873 870114176 /nfs/dbraw/zinc/11/41/76/870114176.db2.gz RSZIHKTWMAONQS-YADHBBJMSA-N 2 2 395.547 3.896 20 0 GHADLP Cc1ccc([C@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000525177873 870114184 /nfs/dbraw/zinc/11/41/84/870114184.db2.gz RSZIHKTWMAONQS-YADHBBJMSA-N 2 2 395.547 3.896 20 0 GHADLP Cc1cn2cc(NC(=O)N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)ccc2[nH+]1 ZINC000525236596 870229035 /nfs/dbraw/zinc/22/90/35/870229035.db2.gz VLTUZMKWPLCHHI-SFHVURJKSA-N 2 2 377.492 3.771 20 0 GHADLP Cc1cn2cc(NC(=O)N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)ccc2[nH+]1 ZINC000525236596 870229050 /nfs/dbraw/zinc/22/90/50/870229050.db2.gz VLTUZMKWPLCHHI-SFHVURJKSA-N 2 2 377.492 3.771 20 0 GHADLP O[C@H](C[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1)C[NH+]1CCCC1 ZINC000446751847 870295548 /nfs/dbraw/zinc/29/55/48/870295548.db2.gz MLQYSHWEZUQWMX-PBHICJAKSA-N 2 2 387.749 3.600 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000525274745 870307259 /nfs/dbraw/zinc/30/72/59/870307259.db2.gz BUKZIFOCAWEMDT-XUVXKRRUSA-N 2 2 383.580 3.549 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000525274745 870307279 /nfs/dbraw/zinc/30/72/79/870307279.db2.gz BUKZIFOCAWEMDT-XUVXKRRUSA-N 2 2 383.580 3.549 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000538712026 870384840 /nfs/dbraw/zinc/38/48/40/870384840.db2.gz QBVNXDNQFACNHT-KRWDZBQOSA-N 2 2 375.476 3.894 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000538712026 870384916 /nfs/dbraw/zinc/38/49/16/870384916.db2.gz QBVNXDNQFACNHT-KRWDZBQOSA-N 2 2 375.476 3.894 20 0 GHADLP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(OCCC)c1 ZINC000538795311 870622719 /nfs/dbraw/zinc/62/27/19/870622719.db2.gz UKXIJLRFTBYORS-XKCSPQBFSA-N 2 2 390.568 3.948 20 0 GHADLP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(OCCC)c1 ZINC000538795311 870622724 /nfs/dbraw/zinc/62/27/24/870622724.db2.gz UKXIJLRFTBYORS-XKCSPQBFSA-N 2 2 390.568 3.948 20 0 GHADLP Cc1cn2cc(NC(=O)N3CCC[N@@H+](Cc4ccccc4)C[C@@H]3C)ccc2[nH+]1 ZINC000525410544 870648087 /nfs/dbraw/zinc/64/80/87/870648087.db2.gz FXDWILIXDPVKEX-SFHVURJKSA-N 2 2 377.492 3.771 20 0 GHADLP Cc1cn2cc(NC(=O)N3CCC[N@H+](Cc4ccccc4)C[C@@H]3C)ccc2[nH+]1 ZINC000525410544 870648094 /nfs/dbraw/zinc/64/80/94/870648094.db2.gz FXDWILIXDPVKEX-SFHVURJKSA-N 2 2 377.492 3.771 20 0 GHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000766405185 870704501 /nfs/dbraw/zinc/70/45/01/870704501.db2.gz RUIAJIPMPIJZTA-UHFFFAOYSA-N 2 2 378.524 3.905 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000746453349 870740388 /nfs/dbraw/zinc/74/03/88/870740388.db2.gz IIUUEQLPTBPHEM-MSOLQXFVSA-N 2 2 381.524 3.607 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000746453349 870740408 /nfs/dbraw/zinc/74/04/08/870740408.db2.gz IIUUEQLPTBPHEM-MSOLQXFVSA-N 2 2 381.524 3.607 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000540300419 870946407 /nfs/dbraw/zinc/94/64/07/870946407.db2.gz BYDMCJXZSVOQIQ-IBGZPJMESA-N 2 2 375.513 3.710 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]C3CCN(c4ccccc4)CC3)CC2)c1 ZINC000463136741 870988577 /nfs/dbraw/zinc/98/85/77/870988577.db2.gz MKPLDIQFOJADRF-UHFFFAOYSA-N 2 2 392.591 3.766 20 0 GHADLP C[C@@H]1CCc2c(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)csc2C1 ZINC000460477544 882464390 /nfs/dbraw/zinc/46/43/90/882464390.db2.gz CGVOMDSUMFLJHL-QGZVFWFLSA-N 2 2 389.609 3.553 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004727 871090912 /nfs/dbraw/zinc/09/09/12/871090912.db2.gz ONWCNYYWIOQJBG-FPOVZHCZSA-N 2 2 392.465 3.988 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004727 871090927 /nfs/dbraw/zinc/09/09/27/871090927.db2.gz ONWCNYYWIOQJBG-FPOVZHCZSA-N 2 2 392.465 3.988 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004727 871090945 /nfs/dbraw/zinc/09/09/45/871090945.db2.gz ONWCNYYWIOQJBG-FPOVZHCZSA-N 2 2 392.465 3.988 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004727 871090960 /nfs/dbraw/zinc/09/09/60/871090960.db2.gz ONWCNYYWIOQJBG-FPOVZHCZSA-N 2 2 392.465 3.988 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1nc2ccccc2n1C ZINC000091307334 871272345 /nfs/dbraw/zinc/27/23/45/871272345.db2.gz QDQTWKWKPKYVGP-ROUUACIJSA-N 2 2 378.520 3.645 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1nc2ccccc2n1C ZINC000091307334 871272358 /nfs/dbraw/zinc/27/23/58/871272358.db2.gz QDQTWKWKPKYVGP-ROUUACIJSA-N 2 2 378.520 3.645 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)n2C ZINC000463283099 871327809 /nfs/dbraw/zinc/32/78/09/871327809.db2.gz OIVGUPSUYOSMRZ-MJGOQNOKSA-N 2 2 378.520 3.725 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)n2C ZINC000463283099 871327827 /nfs/dbraw/zinc/32/78/27/871327827.db2.gz OIVGUPSUYOSMRZ-MJGOQNOKSA-N 2 2 378.520 3.725 20 0 GHADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000462000273 871421285 /nfs/dbraw/zinc/42/12/85/871421285.db2.gz CPOZLSXSMKNDOD-FGZHOGPDSA-N 2 2 397.567 3.631 20 0 GHADLP C[C@@H]1OCC[C@]12C[N@H+](C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1)CCO2 ZINC001194066030 871470468 /nfs/dbraw/zinc/47/04/68/871470468.db2.gz DATOWWPNPVCNNF-TUSQITKMSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1OCC[C@]12C[N@@H+](C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1)CCO2 ZINC001194066030 871470475 /nfs/dbraw/zinc/47/04/75/871470475.db2.gz DATOWWPNPVCNNF-TUSQITKMSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1OCC[C@]12C[NH+](C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)CCO2 ZINC001194066030 871470482 /nfs/dbraw/zinc/47/04/82/871470482.db2.gz DATOWWPNPVCNNF-TUSQITKMSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1OCC[C@]12C[NH+](C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)CCO2 ZINC001194066030 871470488 /nfs/dbraw/zinc/47/04/88/871470488.db2.gz DATOWWPNPVCNNF-TUSQITKMSA-N 2 2 394.559 3.782 20 0 GHADLP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000525821296 871496561 /nfs/dbraw/zinc/49/65/61/871496561.db2.gz HZXJQBPNWJWRKL-UHFFFAOYSA-N 2 2 387.337 3.911 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000540526888 871496563 /nfs/dbraw/zinc/49/65/63/871496563.db2.gz ZITNNRZPMWQUOT-IBGZPJMESA-N 2 2 388.515 3.887 20 0 GHADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@H]2CC3(CCC3)CO2)o1 ZINC001194262524 871598191 /nfs/dbraw/zinc/59/81/91/871598191.db2.gz ORDPCKGYWXSDEU-MRXNPFEDSA-N 2 2 394.313 3.700 20 0 GHADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@H]2CC3(CCC3)CO2)o1 ZINC001194262524 871598210 /nfs/dbraw/zinc/59/82/10/871598210.db2.gz ORDPCKGYWXSDEU-MRXNPFEDSA-N 2 2 394.313 3.700 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000447535281 871799234 /nfs/dbraw/zinc/79/92/34/871799234.db2.gz DZEXAXRNOJVJAT-GOTSBHOMSA-N 2 2 397.538 3.642 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000447535281 871799245 /nfs/dbraw/zinc/79/92/45/871799245.db2.gz DZEXAXRNOJVJAT-GOTSBHOMSA-N 2 2 397.538 3.642 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000429726598 872022271 /nfs/dbraw/zinc/02/22/71/872022271.db2.gz VPUIPWSQDZGGDI-UHFFFAOYSA-N 2 2 381.520 3.670 20 0 GHADLP CC(C)[C@H](CO)[C@@H]([NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)C(C)C ZINC001170442789 882570681 /nfs/dbraw/zinc/57/06/81/882570681.db2.gz ITHIJHBPTXLYGG-VXKWHMMOSA-N 2 2 396.019 3.731 20 0 GHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000447736527 872224775 /nfs/dbraw/zinc/22/47/75/872224775.db2.gz NDUKUYQNKQOORJ-ROUUACIJSA-N 2 2 381.967 3.902 20 0 GHADLP C[NH+]1CCC(CNC(=O)CCCCCc2cccs2)([NH+]2CCCCC2)CC1 ZINC000460480377 882609465 /nfs/dbraw/zinc/60/94/65/882609465.db2.gz NENCXXZYGZKRBR-UHFFFAOYSA-N 2 2 391.625 3.918 20 0 GHADLP CCC(CC)[C@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)[NH+]1CCCC1 ZINC000619392213 872592765 /nfs/dbraw/zinc/59/27/65/872592765.db2.gz ZQHHUASGNHMVLK-NRFANRHFSA-N 2 2 383.540 3.572 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]C3CCN(c4ccccc4)CC3)C2)cc1 ZINC000191840680 882636347 /nfs/dbraw/zinc/63/63/47/882636347.db2.gz UPQVXRSNYZLLGC-XMMPIXPASA-N 2 2 379.548 3.536 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]C3CCN(c4ccccc4)CC3)C2)cc1 ZINC000191840680 882636351 /nfs/dbraw/zinc/63/63/51/882636351.db2.gz UPQVXRSNYZLLGC-XMMPIXPASA-N 2 2 379.548 3.536 20 0 GHADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152734592 872816841 /nfs/dbraw/zinc/81/68/41/872816841.db2.gz FAWBENPYXQRYNQ-KRWDZBQOSA-N 2 2 383.540 3.986 20 0 GHADLP C[N@H+](C[C@@H]1CCC[C@H](c2ccccc2)O1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001196574988 873232502 /nfs/dbraw/zinc/23/25/02/873232502.db2.gz RFAFBANMNGHYSU-ISJGIBHGSA-N 2 2 394.559 3.866 20 0 GHADLP C[N@@H+](C[C@@H]1CCC[C@H](c2ccccc2)O1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001196574988 873232512 /nfs/dbraw/zinc/23/25/12/873232512.db2.gz RFAFBANMNGHYSU-ISJGIBHGSA-N 2 2 394.559 3.866 20 0 GHADLP C[NH+](C[C@@H]1CCC[C@H](c2ccccc2)O1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001196574988 873232520 /nfs/dbraw/zinc/23/25/20/873232520.db2.gz RFAFBANMNGHYSU-ISJGIBHGSA-N 2 2 394.559 3.866 20 0 GHADLP C[NH+](C[C@@H]1CCC[C@H](c2ccccc2)O1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001196574988 873232526 /nfs/dbraw/zinc/23/25/26/873232526.db2.gz RFAFBANMNGHYSU-ISJGIBHGSA-N 2 2 394.559 3.866 20 0 GHADLP CC[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000464314956 873637411 /nfs/dbraw/zinc/63/74/11/873637411.db2.gz CDWQWUZIGGUXIR-RJGXRXQPSA-N 2 2 385.596 3.976 20 0 GHADLP CC[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000464314956 873637417 /nfs/dbraw/zinc/63/74/17/873637417.db2.gz CDWQWUZIGGUXIR-RJGXRXQPSA-N 2 2 385.596 3.976 20 0 GHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](CO)c1cccc(Br)c1 ZINC000541536650 873828188 /nfs/dbraw/zinc/82/81/88/873828188.db2.gz HBLVRXSDWUOBLL-KRWDZBQOSA-N 2 2 392.322 3.862 20 0 GHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](CO)c1cccc(Br)c1 ZINC000541536650 873828202 /nfs/dbraw/zinc/82/82/02/873828202.db2.gz HBLVRXSDWUOBLL-KRWDZBQOSA-N 2 2 392.322 3.862 20 0 GHADLP Cc1cccc(S(=O)(=O)CCC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000464501622 873986057 /nfs/dbraw/zinc/98/60/57/873986057.db2.gz NIFGSIKYCGBSKL-UHFFFAOYSA-N 2 2 389.565 3.548 20 0 GHADLP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000528316336 874367666 /nfs/dbraw/zinc/36/76/66/874367666.db2.gz FEKUXOWBRFRGHL-IFMALSPDSA-N 2 2 380.536 3.595 20 0 GHADLP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000528316336 874367675 /nfs/dbraw/zinc/36/76/75/874367675.db2.gz FEKUXOWBRFRGHL-IFMALSPDSA-N 2 2 380.536 3.595 20 0 GHADLP CCOc1ccc(NC(=O)C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000464805674 874558955 /nfs/dbraw/zinc/55/89/55/874558955.db2.gz ATLGSNBEGRZXBA-UHFFFAOYSA-N 2 2 396.535 3.657 20 0 GHADLP CCOc1ccc(NC(=O)C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000464805674 874558962 /nfs/dbraw/zinc/55/89/62/874558962.db2.gz ATLGSNBEGRZXBA-UHFFFAOYSA-N 2 2 396.535 3.657 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464846111 874624026 /nfs/dbraw/zinc/62/40/26/874624026.db2.gz QRTMTQZSLNVBTN-IFMALSPDSA-N 2 2 379.548 3.660 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464846111 874624029 /nfs/dbraw/zinc/62/40/29/874624029.db2.gz QRTMTQZSLNVBTN-IFMALSPDSA-N 2 2 379.548 3.660 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464846111 874624032 /nfs/dbraw/zinc/62/40/32/874624032.db2.gz QRTMTQZSLNVBTN-IFMALSPDSA-N 2 2 379.548 3.660 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464846111 874624035 /nfs/dbraw/zinc/62/40/35/874624035.db2.gz QRTMTQZSLNVBTN-IFMALSPDSA-N 2 2 379.548 3.660 20 0 GHADLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000464846714 874628766 /nfs/dbraw/zinc/62/87/66/874628766.db2.gz SVWYQHVNZTXAPU-GMAHTHKFSA-N 2 2 377.532 3.636 20 0 GHADLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000464846714 874628772 /nfs/dbraw/zinc/62/87/72/874628772.db2.gz SVWYQHVNZTXAPU-GMAHTHKFSA-N 2 2 377.532 3.636 20 0 GHADLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000464846714 874628778 /nfs/dbraw/zinc/62/87/78/874628778.db2.gz SVWYQHVNZTXAPU-GMAHTHKFSA-N 2 2 377.532 3.636 20 0 GHADLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000464846714 874628782 /nfs/dbraw/zinc/62/87/82/874628782.db2.gz SVWYQHVNZTXAPU-GMAHTHKFSA-N 2 2 377.532 3.636 20 0 GHADLP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000528487515 874647826 /nfs/dbraw/zinc/64/78/26/874647826.db2.gz RHVGUBIBSFSSAX-QUCCMNQESA-N 2 2 391.556 3.602 20 0 GHADLP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000528487515 874647832 /nfs/dbraw/zinc/64/78/32/874647832.db2.gz RHVGUBIBSFSSAX-QUCCMNQESA-N 2 2 391.556 3.602 20 0 GHADLP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000528487515 874647836 /nfs/dbraw/zinc/64/78/36/874647836.db2.gz RHVGUBIBSFSSAX-QUCCMNQESA-N 2 2 391.556 3.602 20 0 GHADLP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000528487515 874647841 /nfs/dbraw/zinc/64/78/41/874647841.db2.gz RHVGUBIBSFSSAX-QUCCMNQESA-N 2 2 391.556 3.602 20 0 GHADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)nc(N2CCCC2)n1 ZINC000449336526 874753426 /nfs/dbraw/zinc/75/34/26/874753426.db2.gz NXBDAOKLTMJHOF-FQEVSTJZSA-N 2 2 393.579 3.570 20 0 GHADLP CSCc1nn(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(=S)o1 ZINC000770661348 874807626 /nfs/dbraw/zinc/80/76/26/874807626.db2.gz QVHZVILKKSEFKA-UHFFFAOYSA-N 2 2 393.582 3.660 20 0 GHADLP CSCc1nn(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(=S)o1 ZINC000770661348 874807637 /nfs/dbraw/zinc/80/76/37/874807637.db2.gz QVHZVILKKSEFKA-UHFFFAOYSA-N 2 2 393.582 3.660 20 0 GHADLP CCN(C)c1ccccc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000770733614 874858287 /nfs/dbraw/zinc/85/82/87/874858287.db2.gz HLSCOTCBDYKELV-UHFFFAOYSA-N 2 2 386.971 3.838 20 0 GHADLP CCc1oc2ccccc2c1CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000528680648 874877609 /nfs/dbraw/zinc/87/76/09/874877609.db2.gz VKQFJJUFQDLTRB-UHFFFAOYSA-N 2 2 397.563 3.604 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)CCC1 ZINC000449477560 874910833 /nfs/dbraw/zinc/91/08/33/874910833.db2.gz PMKOTSYSXFCOBL-UHFFFAOYSA-N 2 2 381.520 3.529 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)CCC1 ZINC000449477560 874910839 /nfs/dbraw/zinc/91/08/39/874910839.db2.gz PMKOTSYSXFCOBL-UHFFFAOYSA-N 2 2 381.520 3.529 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccc(-c4ccccc4)o3)C2)CC1 ZINC000449493780 874926569 /nfs/dbraw/zinc/92/65/69/874926569.db2.gz FLZHTAZITRBZOU-OAQYLSRUSA-N 2 2 395.547 3.713 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccc(-c4ccccc4)o3)C2)CC1 ZINC000449493780 874926580 /nfs/dbraw/zinc/92/65/80/874926580.db2.gz FLZHTAZITRBZOU-OAQYLSRUSA-N 2 2 395.547 3.713 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)o3)C2)CC1 ZINC000449493780 874926586 /nfs/dbraw/zinc/92/65/86/874926586.db2.gz FLZHTAZITRBZOU-OAQYLSRUSA-N 2 2 395.547 3.713 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)o3)C2)CC1 ZINC000449493780 874926598 /nfs/dbraw/zinc/92/65/98/874926598.db2.gz FLZHTAZITRBZOU-OAQYLSRUSA-N 2 2 395.547 3.713 20 0 GHADLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C12CCC2 ZINC000449519655 874989642 /nfs/dbraw/zinc/98/96/42/874989642.db2.gz CEGCBOVYCDLODX-FGZHOGPDSA-N 2 2 385.552 3.547 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000449521905 874993704 /nfs/dbraw/zinc/99/37/04/874993704.db2.gz ICKBGDBCOZNXSV-DEOSSOPVSA-N 2 2 377.532 3.757 20 0 GHADLP CCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000449521210 874994003 /nfs/dbraw/zinc/99/40/03/874994003.db2.gz IBOPXBBGVWPSIW-UHFFFAOYSA-N 2 2 381.520 3.798 20 0 GHADLP C[C@@H]1CC(F)(F)CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000528764992 875028167 /nfs/dbraw/zinc/02/81/67/875028167.db2.gz DWYWZPQNOZSMFE-QAPCUYQASA-N 2 2 399.913 3.713 20 0 GHADLP C[C@@H]1CC(F)(F)CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000528764992 875028172 /nfs/dbraw/zinc/02/81/72/875028172.db2.gz DWYWZPQNOZSMFE-QAPCUYQASA-N 2 2 399.913 3.713 20 0 GHADLP C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542133718 875032124 /nfs/dbraw/zinc/03/21/24/875032124.db2.gz ZNRAPIZPTGKTID-QGZVFWFLSA-N 2 2 388.943 3.734 20 0 GHADLP Cc1ccc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(N(C)C)[nH+]1 ZINC000771459297 875257148 /nfs/dbraw/zinc/25/71/48/875257148.db2.gz DRUJNUWWURPDCU-UHFFFAOYSA-N 2 2 396.539 3.621 20 0 GHADLP CCc1c2ccccc2oc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000449964287 875709822 /nfs/dbraw/zinc/70/98/22/875709822.db2.gz HCYVYNFUWKGODD-UHFFFAOYSA-N 2 2 383.536 3.675 20 0 GHADLP OC[C@]1([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)CCc2ccccc21 ZINC001201541306 875737048 /nfs/dbraw/zinc/73/70/48/875737048.db2.gz BTLKWDZZZZUYCR-JOCHJYFZSA-N 2 2 397.906 3.539 20 0 GHADLP CC(C)[C@@H](c1ccccc1)[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303564005 875809252 /nfs/dbraw/zinc/80/92/52/875809252.db2.gz XNQADHJZKOXFSC-DEOSSOPVSA-N 2 2 395.547 3.786 20 0 GHADLP C[NH+]1CCC(CNC(=O)C[C@@H]2CCCc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000172750558 875898141 /nfs/dbraw/zinc/89/81/41/875898141.db2.gz VNTXURSXSAFIEA-NRFANRHFSA-N 2 2 383.580 3.563 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000529311098 875995615 /nfs/dbraw/zinc/99/56/15/875995615.db2.gz BCVBEULKPUUDPN-IFMALSPDSA-N 2 2 394.563 3.630 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000529311098 875995618 /nfs/dbraw/zinc/99/56/18/875995618.db2.gz BCVBEULKPUUDPN-IFMALSPDSA-N 2 2 394.563 3.630 20 0 GHADLP Clc1ccccc1N1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001170050800 876262047 /nfs/dbraw/zinc/26/20/47/876262047.db2.gz FADNDZHOUVWGMA-UHFFFAOYSA-N 2 2 399.966 3.885 20 0 GHADLP Clc1ccccc1N1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001170050800 876262060 /nfs/dbraw/zinc/26/20/60/876262060.db2.gz FADNDZHOUVWGMA-UHFFFAOYSA-N 2 2 399.966 3.885 20 0 GHADLP C[N@H+](CCc1nc(-c2ccccc2)no1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000077313587 883017338 /nfs/dbraw/zinc/01/73/38/883017338.db2.gz UTDHFQRDHOXHTK-UHFFFAOYSA-N 2 2 376.504 3.876 20 0 GHADLP C[N@@H+](CCc1nc(-c2ccccc2)no1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000077313587 883017356 /nfs/dbraw/zinc/01/73/56/883017356.db2.gz UTDHFQRDHOXHTK-UHFFFAOYSA-N 2 2 376.504 3.876 20 0 GHADLP Cc1ccc(C)c([C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc2)c1 ZINC000492193516 876405516 /nfs/dbraw/zinc/40/55/16/876405516.db2.gz AIWCYHCSZZKXSZ-VWLOTQADSA-N 2 2 393.575 3.925 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1Cl ZINC000850512924 876983028 /nfs/dbraw/zinc/98/30/28/876983028.db2.gz LNIHIRONBZQERU-BEFAXECRSA-N 2 2 387.911 3.522 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1Cl ZINC000850512924 876983034 /nfs/dbraw/zinc/98/30/34/876983034.db2.gz LNIHIRONBZQERU-BEFAXECRSA-N 2 2 387.911 3.522 20 0 GHADLP CC[N@H+](CCc1nc(-c2ccccc2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395111 877005508 /nfs/dbraw/zinc/00/55/08/877005508.db2.gz CYRVCPHBZKCWHZ-UHFFFAOYSA-N 2 2 391.519 3.913 20 0 GHADLP CC[N@@H+](CCc1nc(-c2ccccc2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395111 877005517 /nfs/dbraw/zinc/00/55/17/877005517.db2.gz CYRVCPHBZKCWHZ-UHFFFAOYSA-N 2 2 391.519 3.913 20 0 GHADLP Cc1ccc(CN(C(=O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C2CC2)o1 ZINC000174399311 877006854 /nfs/dbraw/zinc/00/68/54/877006854.db2.gz MUIHMPRDYPCNGG-NRFANRHFSA-N 2 2 395.547 3.533 20 0 GHADLP Cc1ccc(CN(C(=O)C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C2CC2)o1 ZINC000174399311 877006865 /nfs/dbraw/zinc/00/68/65/877006865.db2.gz MUIHMPRDYPCNGG-NRFANRHFSA-N 2 2 395.547 3.533 20 0 GHADLP Cc1ccc(CN(C(=O)C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)o1 ZINC000174399311 877006876 /nfs/dbraw/zinc/00/68/76/877006876.db2.gz MUIHMPRDYPCNGG-NRFANRHFSA-N 2 2 395.547 3.533 20 0 GHADLP Cc1ccc(CN(C(=O)C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)o1 ZINC000174399311 877006887 /nfs/dbraw/zinc/00/68/87/877006887.db2.gz MUIHMPRDYPCNGG-NRFANRHFSA-N 2 2 395.547 3.533 20 0 GHADLP CCCOc1ccccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000174579869 877105454 /nfs/dbraw/zinc/10/54/54/877105454.db2.gz GVVXHFSFJPQSFP-UHFFFAOYSA-N 2 2 388.556 3.547 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000530223555 877310058 /nfs/dbraw/zinc/31/00/58/877310058.db2.gz SVFWVDGKKRNMCU-DYESRHJHSA-N 2 2 376.504 3.849 20 0 GHADLP CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000787676007 877522223 /nfs/dbraw/zinc/52/22/23/877522223.db2.gz MKHRFVRXAVFQPP-HXUWFJFHSA-N 2 2 389.540 3.720 20 0 GHADLP CC(C)(C)OC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000787676007 877522238 /nfs/dbraw/zinc/52/22/38/877522238.db2.gz MKHRFVRXAVFQPP-HXUWFJFHSA-N 2 2 389.540 3.720 20 0 GHADLP CC[N@H+](CCCC(=O)NCc1c[nH+]cn1C1CCC1)[C@H](C)Cc1ccc(O)cc1 ZINC001183055864 912251932 /nfs/dbraw/zinc/25/19/32/912251932.db2.gz NRDMZRLZDINCED-GOSISDBHSA-N 2 2 398.551 3.663 20 0 GHADLP CC[N@@H+](CCCC(=O)NCc1c[nH+]cn1C1CCC1)[C@H](C)Cc1ccc(O)cc1 ZINC001183055864 912251947 /nfs/dbraw/zinc/25/19/47/912251947.db2.gz NRDMZRLZDINCED-GOSISDBHSA-N 2 2 398.551 3.663 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000245430399 877867482 /nfs/dbraw/zinc/86/74/82/877867482.db2.gz NPBOOFFSLJORQB-REWPJTCUSA-N 2 2 393.575 3.897 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000245430399 877867489 /nfs/dbraw/zinc/86/74/89/877867489.db2.gz NPBOOFFSLJORQB-REWPJTCUSA-N 2 2 393.575 3.897 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)C(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000245430399 877867502 /nfs/dbraw/zinc/86/75/02/877867502.db2.gz NPBOOFFSLJORQB-REWPJTCUSA-N 2 2 393.575 3.897 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)C(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000245430399 877867511 /nfs/dbraw/zinc/86/75/11/877867511.db2.gz NPBOOFFSLJORQB-REWPJTCUSA-N 2 2 393.575 3.897 20 0 GHADLP Clc1c(Br)cccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655775694 877971232 /nfs/dbraw/zinc/97/12/32/877971232.db2.gz BRSUSMQVNLKFLV-OAHLLOKOSA-N 2 2 387.749 3.836 20 0 GHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCCn1cc[nH+]c1 ZINC000285455052 912297069 /nfs/dbraw/zinc/29/70/69/912297069.db2.gz MQIFVBVTIIUPMB-GFCCVEGCSA-N 2 2 388.821 3.952 20 0 GHADLP O=C1[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCCN1c1ccc(Cl)cc1Cl ZINC000530546605 878033216 /nfs/dbraw/zinc/03/32/16/878033216.db2.gz RFWVBNUDGCTDTD-SFHVURJKSA-N 2 2 396.362 3.953 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000193471024 878045055 /nfs/dbraw/zinc/04/50/55/878045055.db2.gz UHAAYZLYFROTGI-UHFFFAOYSA-N 2 2 388.515 3.977 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000193471024 878045078 /nfs/dbraw/zinc/04/50/78/878045078.db2.gz UHAAYZLYFROTGI-UHFFFAOYSA-N 2 2 388.515 3.977 20 0 GHADLP O[C@@H](C[NH+]1CCC([NH2+]Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000852115186 878081645 /nfs/dbraw/zinc/08/16/45/878081645.db2.gz MUFMWKPFUCGWLQ-FQEVSTJZSA-N 2 2 378.438 3.993 20 0 GHADLP CN(C(=O)Nc1cc(F)ccc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245604854 878188466 /nfs/dbraw/zinc/18/84/66/878188466.db2.gz YAVTXISQPRVESG-VQTJNVASSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1cc(F)ccc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245604854 878188480 /nfs/dbraw/zinc/18/84/80/878188480.db2.gz YAVTXISQPRVESG-VQTJNVASSA-N 2 2 394.510 3.766 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000245710821 878448877 /nfs/dbraw/zinc/44/88/77/878448877.db2.gz NLENQWWDMICERP-WTOYTKOKSA-N 2 2 389.559 3.725 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000245710821 878448889 /nfs/dbraw/zinc/44/88/89/878448889.db2.gz NLENQWWDMICERP-WTOYTKOKSA-N 2 2 389.559 3.725 20 0 GHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nc(C[NH+]3CCC[C@H](C)C3)cs2)C[C@@H]1C ZINC000530777397 878475168 /nfs/dbraw/zinc/47/51/68/878475168.db2.gz FZCUMBKCMXLSOO-BQFCYCMXSA-N 2 2 393.601 3.712 20 0 GHADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2nc(C[NH+]3CCC[C@H](C)C3)cs2)C[C@@H]1C ZINC000530777397 878475176 /nfs/dbraw/zinc/47/51/76/878475176.db2.gz FZCUMBKCMXLSOO-BQFCYCMXSA-N 2 2 393.601 3.712 20 0 GHADLP CC[NH+]1CC[C@H](N(C)C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C[C@@H]1C ZINC000530777397 878475183 /nfs/dbraw/zinc/47/51/83/878475183.db2.gz FZCUMBKCMXLSOO-BQFCYCMXSA-N 2 2 393.601 3.712 20 0 GHADLP CC[NH+]1CC[C@H](N(C)C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C[C@@H]1C ZINC000530777397 878475190 /nfs/dbraw/zinc/47/51/90/878475190.db2.gz FZCUMBKCMXLSOO-BQFCYCMXSA-N 2 2 393.601 3.712 20 0 GHADLP CN(C(=O)c1ccc2c(c1)CCC2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245726562 878477654 /nfs/dbraw/zinc/47/76/54/878477654.db2.gz RABLTSVDMWLDHL-XZOQPEGZSA-N 2 2 383.580 3.585 20 0 GHADLP CN(C(=O)c1ccc2c(c1)CCC2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245726562 878477662 /nfs/dbraw/zinc/47/76/62/878477662.db2.gz RABLTSVDMWLDHL-XZOQPEGZSA-N 2 2 383.580 3.585 20 0 GHADLP c1cc([C@H]2CCC[NH+]2Cc2cccc(C[N@@H+]3CCC[C@@H]3c3cc[nH]n3)c2)n[nH]1 ZINC000285612178 912360005 /nfs/dbraw/zinc/36/00/05/912360005.db2.gz CNKMMKHZTWXJKC-FGZHOGPDSA-N 2 2 376.508 3.807 20 0 GHADLP c1cc([C@H]2CCC[NH+]2Cc2cccc(C[N@H+]3CCC[C@@H]3c3cc[nH]n3)c2)n[nH]1 ZINC000285612178 912360028 /nfs/dbraw/zinc/36/00/28/912360028.db2.gz CNKMMKHZTWXJKC-FGZHOGPDSA-N 2 2 376.508 3.807 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000245786792 878592096 /nfs/dbraw/zinc/59/20/96/878592096.db2.gz MZCNQXQKJHERMJ-SLFFLAALSA-N 2 2 386.584 3.513 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000245786792 878592105 /nfs/dbraw/zinc/59/21/05/878592105.db2.gz MZCNQXQKJHERMJ-SLFFLAALSA-N 2 2 386.584 3.513 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CN2Cc3cc(F)c(F)cc3C2=O)CC1 ZINC000853496225 879063753 /nfs/dbraw/zinc/06/37/53/879063753.db2.gz YCCGPUNOLOOULR-UHFFFAOYSA-N 2 2 399.485 3.722 20 0 GHADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CN2Cc3cc(F)c(F)cc3C2=O)CC1 ZINC000853496225 879063768 /nfs/dbraw/zinc/06/37/68/879063768.db2.gz YCCGPUNOLOOULR-UHFFFAOYSA-N 2 2 399.485 3.722 20 0 GHADLP CC(C)(C)[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(F)c1 ZINC000538233073 879089440 /nfs/dbraw/zinc/08/94/40/879089440.db2.gz IYCWGLRRNOHHPF-JOCHJYFZSA-N 2 2 398.526 3.636 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc2ccccc21 ZINC000246176397 879111060 /nfs/dbraw/zinc/11/10/60/879111060.db2.gz JSNMDGSOLQPPNT-UFYCRDLUSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc2ccccc21 ZINC000246176397 879111070 /nfs/dbraw/zinc/11/10/70/879111070.db2.gz JSNMDGSOLQPPNT-UFYCRDLUSA-N 2 2 379.548 3.823 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccn(-c2ccccc2)n1 ZINC000531187939 879274582 /nfs/dbraw/zinc/27/45/82/879274582.db2.gz GXBPDHBDQUWUNR-UHFFFAOYSA-N 3 2 395.595 3.500 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccn(-c2ccccc2)n1 ZINC000531187939 879274604 /nfs/dbraw/zinc/27/46/04/879274604.db2.gz GXBPDHBDQUWUNR-UHFFFAOYSA-N 3 2 395.595 3.500 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246462297 879584410 /nfs/dbraw/zinc/58/44/10/879584410.db2.gz FMVSQBIQNHXDNS-OAZVVGOESA-N 2 2 389.971 3.854 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246462297 879584423 /nfs/dbraw/zinc/58/44/23/879584423.db2.gz FMVSQBIQNHXDNS-OAZVVGOESA-N 2 2 389.971 3.854 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246462297 879584431 /nfs/dbraw/zinc/58/44/31/879584431.db2.gz FMVSQBIQNHXDNS-OAZVVGOESA-N 2 2 389.971 3.854 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246462297 879584436 /nfs/dbraw/zinc/58/44/36/879584436.db2.gz FMVSQBIQNHXDNS-OAZVVGOESA-N 2 2 389.971 3.854 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1Cl ZINC000246873884 879836530 /nfs/dbraw/zinc/83/65/30/879836530.db2.gz LOVYLIUOFWCJSE-DEYYWGMASA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1Cl ZINC000246873884 879836538 /nfs/dbraw/zinc/83/65/38/879836538.db2.gz LOVYLIUOFWCJSE-DEYYWGMASA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000246873884 879836553 /nfs/dbraw/zinc/83/65/53/879836553.db2.gz LOVYLIUOFWCJSE-DEYYWGMASA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000246873884 879836572 /nfs/dbraw/zinc/83/65/72/879836572.db2.gz LOVYLIUOFWCJSE-DEYYWGMASA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000247024840 879889796 /nfs/dbraw/zinc/88/97/96/879889796.db2.gz LWFUMHLGMHNBLO-PGRDOPGGSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000247024840 879889807 /nfs/dbraw/zinc/88/98/07/879889807.db2.gz LWFUMHLGMHNBLO-PGRDOPGGSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000247178932 879937761 /nfs/dbraw/zinc/93/77/61/879937761.db2.gz ZBSSWZDGGZXQIE-WIYYLYMNSA-N 2 2 395.547 3.631 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000247178932 879937763 /nfs/dbraw/zinc/93/77/63/879937763.db2.gz ZBSSWZDGGZXQIE-WIYYLYMNSA-N 2 2 395.547 3.631 20 0 GHADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247231580 879948546 /nfs/dbraw/zinc/94/85/46/879948546.db2.gz YINQZLLLMUIVSN-HYBUGGRVSA-N 3 2 380.580 3.924 20 0 GHADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247231580 879948551 /nfs/dbraw/zinc/94/85/51/879948551.db2.gz YINQZLLLMUIVSN-HYBUGGRVSA-N 3 2 380.580 3.924 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000184750537 880373664 /nfs/dbraw/zinc/37/36/64/880373664.db2.gz MQCWPMVHEQSYNS-IAGOWNOFSA-N 2 2 398.551 3.657 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCCO1 ZINC000453220474 880637792 /nfs/dbraw/zinc/63/77/92/880637792.db2.gz UEZLGFNANJIPMU-BUZMGHMJSA-N 3 2 385.596 3.520 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCCO1 ZINC000453220474 880637794 /nfs/dbraw/zinc/63/77/94/880637794.db2.gz UEZLGFNANJIPMU-BUZMGHMJSA-N 3 2 385.596 3.520 20 0 GHADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCCO1 ZINC000453220474 880637800 /nfs/dbraw/zinc/63/78/00/880637800.db2.gz UEZLGFNANJIPMU-BUZMGHMJSA-N 3 2 385.596 3.520 20 0 GHADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCCO1 ZINC000453220474 880637802 /nfs/dbraw/zinc/63/78/02/880637802.db2.gz UEZLGFNANJIPMU-BUZMGHMJSA-N 3 2 385.596 3.520 20 0 GHADLP O[C@]1(C[NH2+]Cc2cc(Cl)cc3cccnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000531910640 880726358 /nfs/dbraw/zinc/72/63/58/880726358.db2.gz JMCKJHQHYFGWPE-QFIPXVFZSA-N 2 2 381.907 3.615 20 0 GHADLP O[C@]1(C[NH2+]Cc2cc(Cl)cc3cccnc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000531910640 880726365 /nfs/dbraw/zinc/72/63/65/880726365.db2.gz JMCKJHQHYFGWPE-QFIPXVFZSA-N 2 2 381.907 3.615 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000792253618 881018493 /nfs/dbraw/zinc/01/84/93/881018493.db2.gz FCTZQCVONFELHG-FXAWDEMLSA-N 2 2 384.524 3.916 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000792253618 881018506 /nfs/dbraw/zinc/01/85/06/881018506.db2.gz FCTZQCVONFELHG-FXAWDEMLSA-N 2 2 384.524 3.916 20 0 GHADLP CC[N@H+](CCc1ccccc1C(=O)OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000187101730 881072277 /nfs/dbraw/zinc/07/22/77/881072277.db2.gz JLSGVYMWHIIJFS-UHFFFAOYSA-N 2 2 381.520 3.649 20 0 GHADLP CC[N@@H+](CCc1ccccc1C(=O)OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000187101730 881072294 /nfs/dbraw/zinc/07/22/94/881072294.db2.gz JLSGVYMWHIIJFS-UHFFFAOYSA-N 2 2 381.520 3.649 20 0 GHADLP C[C@@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000187411637 881184627 /nfs/dbraw/zinc/18/46/27/881184627.db2.gz DRVDHFJCJYTPDI-QGZVFWFLSA-N 2 2 393.510 3.818 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](CC3CC3)c3ccccc3)CC2)CC1 ZINC000643379974 912670454 /nfs/dbraw/zinc/67/04/54/912670454.db2.gz ZXPMLCQISMTHQM-QHCPKHFHSA-N 2 2 398.595 3.729 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](CC3CC3)c3ccccc3)CC2)CC1 ZINC000643379974 912670465 /nfs/dbraw/zinc/67/04/65/912670465.db2.gz ZXPMLCQISMTHQM-QHCPKHFHSA-N 2 2 398.595 3.729 20 0 GHADLP O=[S@@](CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccccc1 ZINC000475752778 883201372 /nfs/dbraw/zinc/20/13/72/883201372.db2.gz WEYZSPVQPYKTGS-KCWPFWIISA-N 2 2 382.573 3.782 20 0 GHADLP O=[S@@](CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)c1ccccc1 ZINC000475752778 883201390 /nfs/dbraw/zinc/20/13/90/883201390.db2.gz WEYZSPVQPYKTGS-KCWPFWIISA-N 2 2 382.573 3.782 20 0 GHADLP O=[S@@](CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000475752778 883201410 /nfs/dbraw/zinc/20/14/10/883201410.db2.gz WEYZSPVQPYKTGS-KCWPFWIISA-N 2 2 382.573 3.782 20 0 GHADLP O=[S@@](CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000475752778 883201434 /nfs/dbraw/zinc/20/14/34/883201434.db2.gz WEYZSPVQPYKTGS-KCWPFWIISA-N 2 2 382.573 3.782 20 0 GHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c2ccccc21 ZINC000643466054 912715227 /nfs/dbraw/zinc/71/52/27/912715227.db2.gz ULFFNSDXECRCRJ-FSPWUOQZSA-N 2 2 375.394 3.545 20 0 GHADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000643476444 912718471 /nfs/dbraw/zinc/71/84/71/912718471.db2.gz BVXOLLAIJKMDIN-LJQANCHMSA-N 2 2 381.524 3.881 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(C(F)(F)F)c1 ZINC000195652269 883541381 /nfs/dbraw/zinc/54/13/81/883541381.db2.gz VASMMMIRMXOOJR-FOIQADDNSA-N 2 2 378.438 3.775 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(C(F)(F)F)c1 ZINC000195652269 883541388 /nfs/dbraw/zinc/54/13/88/883541388.db2.gz VASMMMIRMXOOJR-FOIQADDNSA-N 2 2 378.438 3.775 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000551263758 883572491 /nfs/dbraw/zinc/57/24/91/883572491.db2.gz DOCPVDIGHIYYJV-KXBFYZLASA-N 2 2 378.442 3.538 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000551263758 883572498 /nfs/dbraw/zinc/57/24/98/883572498.db2.gz DOCPVDIGHIYYJV-KXBFYZLASA-N 2 2 378.442 3.538 20 0 GHADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3ccccc3Cn3cc[nH+]c3)ccc21 ZINC000455859723 884136390 /nfs/dbraw/zinc/13/63/90/884136390.db2.gz PRXFHHPXFDXLTC-JOCHJYFZSA-N 2 2 389.503 3.802 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C2CC2)cc1 ZINC000495002630 884341046 /nfs/dbraw/zinc/34/10/46/884341046.db2.gz CJSAGVHYRSHYHY-FQEVSTJZSA-N 2 2 380.536 3.904 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C2CC2)cc1 ZINC000495002630 884341060 /nfs/dbraw/zinc/34/10/60/884341060.db2.gz CJSAGVHYRSHYHY-FQEVSTJZSA-N 2 2 380.536 3.904 20 0 GHADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000476301354 884352060 /nfs/dbraw/zinc/35/20/60/884352060.db2.gz AMKLNXGAZNQMTI-MAUKXSAKSA-N 2 2 392.494 3.640 20 0 GHADLP CCOc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OCC ZINC000428547590 884416404 /nfs/dbraw/zinc/41/64/04/884416404.db2.gz MLSAVZWLJIFKBW-JOCHJYFZSA-N 2 2 398.547 3.865 20 0 GHADLP CCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OCC ZINC000428547590 884416407 /nfs/dbraw/zinc/41/64/07/884416407.db2.gz MLSAVZWLJIFKBW-JOCHJYFZSA-N 2 2 398.547 3.865 20 0 GHADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001170503104 884477940 /nfs/dbraw/zinc/47/79/40/884477940.db2.gz CFCNVFOUZBZFSZ-CRAIPNDOSA-N 2 2 384.442 3.601 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000130867290 885254929 /nfs/dbraw/zinc/25/49/29/885254929.db2.gz ZQLYFQISTPGREZ-UHFFFAOYSA-N 2 2 378.476 3.944 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000130867290 885254949 /nfs/dbraw/zinc/25/49/49/885254949.db2.gz ZQLYFQISTPGREZ-UHFFFAOYSA-N 2 2 378.476 3.944 20 0 GHADLP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000655769010 885571587 /nfs/dbraw/zinc/57/15/87/885571587.db2.gz AZWCYDRYVKRKJG-UPVQGACJSA-N 3 2 385.596 3.522 20 0 GHADLP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000655769010 885571607 /nfs/dbraw/zinc/57/16/07/885571607.db2.gz AZWCYDRYVKRKJG-UPVQGACJSA-N 3 2 385.596 3.522 20 0 GHADLP CC1CC[NH+]([C@@H](C[NH2+]C2CCN(c3cnccn3)CC2)c2ccccc2)CC1 ZINC000532477037 885769425 /nfs/dbraw/zinc/76/94/25/885769425.db2.gz ISFWJOLANKCKPK-QFIPXVFZSA-N 2 2 379.552 3.508 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@@H]1c1ccccc1 ZINC000550703851 885955123 /nfs/dbraw/zinc/95/51/23/885955123.db2.gz PLELTHCSKYSQML-CEWLAPEOSA-N 2 2 383.923 3.870 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@@H]1c1ccccc1 ZINC000550703851 885955138 /nfs/dbraw/zinc/95/51/38/885955138.db2.gz PLELTHCSKYSQML-CEWLAPEOSA-N 2 2 383.923 3.870 20 0 GHADLP CC1(C)C(=O)N(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)[C@@H]1c1ccncc1 ZINC000808140902 886043711 /nfs/dbraw/zinc/04/37/11/886043711.db2.gz QTGUAODPPKHESB-OAQYLSRUSA-N 2 2 384.568 3.537 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173453804 886310066 /nfs/dbraw/zinc/31/00/66/886310066.db2.gz KSFVOFRZBGBPJE-IAGOWNOFSA-N 2 2 398.532 3.534 20 0 GHADLP Cc1ccc(F)cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000119347077 886563028 /nfs/dbraw/zinc/56/30/28/886563028.db2.gz MSTWNRSLEUCULI-SFTDATJTSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1ccc(F)cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000119347077 886563038 /nfs/dbraw/zinc/56/30/38/886563038.db2.gz MSTWNRSLEUCULI-SFTDATJTSA-N 2 2 390.547 3.935 20 0 GHADLP CN(C(=O)Nc1ccc2c(c1)CCC2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000119540524 886713528 /nfs/dbraw/zinc/71/35/28/886713528.db2.gz GBYHSIMVRVJIOR-GOTSBHOMSA-N 2 2 398.595 3.976 20 0 GHADLP CN(C(=O)Nc1ccc2c(c1)CCC2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000119540524 886713535 /nfs/dbraw/zinc/71/35/35/886713535.db2.gz GBYHSIMVRVJIOR-GOTSBHOMSA-N 2 2 398.595 3.976 20 0 GHADLP Cc1ccc(F)c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000119497506 886738933 /nfs/dbraw/zinc/73/89/33/886738933.db2.gz DCEAWTWIOXKFDX-SFTDATJTSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1ccc(F)c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000119497506 886738940 /nfs/dbraw/zinc/73/89/40/886738940.db2.gz DCEAWTWIOXKFDX-SFTDATJTSA-N 2 2 390.547 3.935 20 0 GHADLP [NH3+][C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000237811135 886993920 /nfs/dbraw/zinc/99/39/20/886993920.db2.gz DLWRJDSPBZEWSE-LJQANCHMSA-N 2 2 392.330 3.774 20 0 GHADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)s1 ZINC000809589801 887597349 /nfs/dbraw/zinc/59/73/49/887597349.db2.gz KWAGMBWDEARVDQ-AWEZNQCLSA-N 2 2 376.595 3.920 20 0 GHADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)s1 ZINC000809589801 887597363 /nfs/dbraw/zinc/59/73/63/887597363.db2.gz KWAGMBWDEARVDQ-AWEZNQCLSA-N 2 2 376.595 3.920 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cnc(C3OCCO3)s2)c(C)c1 ZINC000809628535 887628364 /nfs/dbraw/zinc/62/83/64/887628364.db2.gz YEGDMMODDSAXKB-GOSISDBHSA-N 2 2 384.505 3.533 20 0 GHADLP Cc1[nH+]ccn1-c1cc(NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)ncn1 ZINC001170585187 887753316 /nfs/dbraw/zinc/75/33/16/887753316.db2.gz IWNDHAMBZAFGSQ-INIZCTEOSA-N 2 2 391.306 3.992 20 0 GHADLP O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001184405224 913193534 /nfs/dbraw/zinc/19/35/34/913193534.db2.gz ZCWRCTLBKJLHEH-MSOLQXFVSA-N 2 2 386.927 3.681 20 0 GHADLP O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001184405224 913193542 /nfs/dbraw/zinc/19/35/42/913193542.db2.gz ZCWRCTLBKJLHEH-MSOLQXFVSA-N 2 2 386.927 3.681 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)CC(F)F ZINC000865428804 888344520 /nfs/dbraw/zinc/34/45/20/888344520.db2.gz WXBRVJUHEQGXPV-OAHLLOKOSA-N 2 2 380.439 3.510 20 0 GHADLP C[N@H+](Cc1cc2cc(Cl)cnc2o1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000648530470 888363822 /nfs/dbraw/zinc/36/38/22/888363822.db2.gz XLNZUJYYUNIDGU-NRFANRHFSA-N 2 2 385.895 3.550 20 0 GHADLP C[N@@H+](Cc1cc2cc(Cl)cnc2o1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000648530470 888363841 /nfs/dbraw/zinc/36/38/41/888363841.db2.gz XLNZUJYYUNIDGU-NRFANRHFSA-N 2 2 385.895 3.550 20 0 GHADLP C[NH+](Cc1cc2cc(Cl)cnc2o1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000648530470 888363857 /nfs/dbraw/zinc/36/38/57/888363857.db2.gz XLNZUJYYUNIDGU-NRFANRHFSA-N 2 2 385.895 3.550 20 0 GHADLP C[NH+](Cc1cc2cc(Cl)cnc2o1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000648530470 888363870 /nfs/dbraw/zinc/36/38/70/888363870.db2.gz XLNZUJYYUNIDGU-NRFANRHFSA-N 2 2 385.895 3.550 20 0 GHADLP CCCCCC[C@@H](CC)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001170603126 888432002 /nfs/dbraw/zinc/43/20/02/888432002.db2.gz IJPQVUCGZOZEBP-JOCHJYFZSA-N 3 2 392.676 3.912 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703244 889013303 /nfs/dbraw/zinc/01/33/03/889013303.db2.gz HGKBLDOKULXSHC-WZONZLPQSA-N 2 2 397.567 3.513 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703244 889013310 /nfs/dbraw/zinc/01/33/10/889013310.db2.gz HGKBLDOKULXSHC-WZONZLPQSA-N 2 2 397.567 3.513 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)C1 ZINC000245657329 889176825 /nfs/dbraw/zinc/17/68/25/889176825.db2.gz DWKOSKTWIAFNMT-HFDWIEFGSA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)C1 ZINC000245657329 889176827 /nfs/dbraw/zinc/17/68/27/889176827.db2.gz DWKOSKTWIAFNMT-HFDWIEFGSA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000245657329 889176838 /nfs/dbraw/zinc/17/68/38/889176838.db2.gz DWKOSKTWIAFNMT-HFDWIEFGSA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000245657329 889176840 /nfs/dbraw/zinc/17/68/40/889176840.db2.gz DWKOSKTWIAFNMT-HFDWIEFGSA-N 3 2 399.623 3.909 20 0 GHADLP C[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000533013781 889555807 /nfs/dbraw/zinc/55/58/07/889555807.db2.gz HADVKWLOLIYORP-GOSISDBHSA-N 2 2 395.572 3.793 20 0 GHADLP C[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000533013781 889555814 /nfs/dbraw/zinc/55/58/14/889555814.db2.gz HADVKWLOLIYORP-GOSISDBHSA-N 2 2 395.572 3.793 20 0 GHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)[C@@H](C)C1 ZINC000533083915 889716603 /nfs/dbraw/zinc/71/66/03/889716603.db2.gz MGAHDQULFQOSSW-BVSLBCMMSA-N 2 2 397.567 3.613 20 0 GHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)[C@@H](C)C1 ZINC000533083915 889716614 /nfs/dbraw/zinc/71/66/14/889716614.db2.gz MGAHDQULFQOSSW-BVSLBCMMSA-N 2 2 397.567 3.613 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000124709018 889733530 /nfs/dbraw/zinc/73/35/30/889733530.db2.gz NUQFHSAQABQUQV-NHCUHLMSSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000124709018 889733539 /nfs/dbraw/zinc/73/35/39/889733539.db2.gz NUQFHSAQABQUQV-NHCUHLMSSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000124854837 889792115 /nfs/dbraw/zinc/79/21/15/889792115.db2.gz PYIBYLGPJVAXKQ-NHCUHLMSSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000124854837 889792124 /nfs/dbraw/zinc/79/21/24/889792124.db2.gz PYIBYLGPJVAXKQ-NHCUHLMSSA-N 2 2 375.532 3.543 20 0 GHADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000533253953 890101571 /nfs/dbraw/zinc/10/15/71/890101571.db2.gz CMEBLCGMVBGZAU-INIZCTEOSA-N 2 2 398.391 3.907 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(C)c1 ZINC000533542812 890808365 /nfs/dbraw/zinc/80/83/65/890808365.db2.gz LUAJGPMZGYKVIR-UNMCSNQZSA-N 2 2 395.551 3.511 20 0 GHADLP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246265313 890888101 /nfs/dbraw/zinc/88/81/01/890888101.db2.gz ADNXZZQBEPRVRL-XMSQKQJNSA-N 2 2 383.536 3.532 20 0 GHADLP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246265313 890888110 /nfs/dbraw/zinc/88/81/10/890888110.db2.gz ADNXZZQBEPRVRL-XMSQKQJNSA-N 2 2 383.536 3.532 20 0 GHADLP C[C@H]1C[C@H](CCNC(=O)N2CCC(n3cc[nH+]c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000533578613 890888739 /nfs/dbraw/zinc/88/87/39/890888739.db2.gz GBGHIPHWNIUOIV-FPOVZHCZSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@H]1C[C@H](CCNC(=O)N2CCC(n3cc[nH+]c3)CC2)C[N@H+]1Cc1ccccc1 ZINC000533578613 890888751 /nfs/dbraw/zinc/88/87/51/890888751.db2.gz GBGHIPHWNIUOIV-FPOVZHCZSA-N 2 2 395.551 3.530 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cscc3C(F)(F)F)CC2)CC1 ZINC000421382926 890949089 /nfs/dbraw/zinc/94/90/89/890949089.db2.gz YXXBOBINMIYAKT-UHFFFAOYSA-N 2 2 375.504 3.759 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cscc3C(F)(F)F)CC2)CC1 ZINC000421382926 890949094 /nfs/dbraw/zinc/94/90/94/890949094.db2.gz YXXBOBINMIYAKT-UHFFFAOYSA-N 2 2 375.504 3.759 20 0 GHADLP Fc1ccc(C2OCCO2)c(Cl)c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000812829815 891011698 /nfs/dbraw/zinc/01/16/98/891011698.db2.gz MGVDEUPQCNIXBK-UHFFFAOYSA-N 2 2 379.863 3.901 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000812841542 891029052 /nfs/dbraw/zinc/02/90/52/891029052.db2.gz ALAXXYHRBQWLEX-PMACEKPBSA-N 3 2 384.612 3.964 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000812841542 891029058 /nfs/dbraw/zinc/02/90/58/891029058.db2.gz ALAXXYHRBQWLEX-PMACEKPBSA-N 3 2 384.612 3.964 20 0 GHADLP Cc1cc(C)c(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(C)[nH+]1 ZINC000455491647 891046324 /nfs/dbraw/zinc/04/63/24/891046324.db2.gz YTTVDKZWBUYTBT-ROUUACIJSA-N 2 2 396.535 3.938 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000246842754 891313362 /nfs/dbraw/zinc/31/33/62/891313362.db2.gz BTFKRRRELNDOOJ-UKRRQHHQSA-N 2 2 384.471 3.600 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000246842754 891313378 /nfs/dbraw/zinc/31/33/78/891313378.db2.gz BTFKRRRELNDOOJ-UKRRQHHQSA-N 2 2 384.471 3.600 20 0 GHADLP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246955133 891325510 /nfs/dbraw/zinc/32/55/10/891325510.db2.gz IHHLZZMHSNMANH-AUSIDOKSSA-N 2 2 394.563 3.564 20 0 GHADLP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246955133 891325526 /nfs/dbraw/zinc/32/55/26/891325526.db2.gz IHHLZZMHSNMANH-AUSIDOKSSA-N 2 2 394.563 3.564 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246998089 891329633 /nfs/dbraw/zinc/32/96/33/891329633.db2.gz WSSWFPYXBWUAOE-LCLWPZTBSA-N 2 2 387.593 3.749 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246998089 891329649 /nfs/dbraw/zinc/32/96/49/891329649.db2.gz WSSWFPYXBWUAOE-LCLWPZTBSA-N 2 2 387.593 3.749 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246998089 891329664 /nfs/dbraw/zinc/32/96/64/891329664.db2.gz WSSWFPYXBWUAOE-LCLWPZTBSA-N 2 2 387.593 3.749 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246998089 891329679 /nfs/dbraw/zinc/32/96/79/891329679.db2.gz WSSWFPYXBWUAOE-LCLWPZTBSA-N 2 2 387.593 3.749 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000247019640 891332854 /nfs/dbraw/zinc/33/28/54/891332854.db2.gz KSVADFSLSXPADW-YLJYHZDGSA-N 2 2 398.517 3.546 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000247019640 891332872 /nfs/dbraw/zinc/33/28/72/891332872.db2.gz KSVADFSLSXPADW-YLJYHZDGSA-N 2 2 398.517 3.546 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000247019614 891333874 /nfs/dbraw/zinc/33/38/74/891333874.db2.gz KSVADFSLSXPADW-FXAWDEMLSA-N 2 2 398.517 3.546 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000247019614 891333891 /nfs/dbraw/zinc/33/38/91/891333891.db2.gz KSVADFSLSXPADW-FXAWDEMLSA-N 2 2 398.517 3.546 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247034289 891335888 /nfs/dbraw/zinc/33/58/88/891335888.db2.gz YMZAPESHLQVQTB-PWHSHALESA-N 2 2 396.579 3.563 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247034289 891335906 /nfs/dbraw/zinc/33/59/06/891335906.db2.gz YMZAPESHLQVQTB-PWHSHALESA-N 2 2 396.579 3.563 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000247034289 891335924 /nfs/dbraw/zinc/33/59/24/891335924.db2.gz YMZAPESHLQVQTB-PWHSHALESA-N 2 2 396.579 3.563 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000247034289 891335943 /nfs/dbraw/zinc/33/59/43/891335943.db2.gz YMZAPESHLQVQTB-PWHSHALESA-N 2 2 396.579 3.563 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C[C@H]1C[NH3+] ZINC001205319311 913549027 /nfs/dbraw/zinc/54/90/27/913549027.db2.gz YYPURDLFHDITJJ-ZYHUDNBSSA-N 2 2 381.236 3.764 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C[C@H]1C[NH3+] ZINC001205319311 913549046 /nfs/dbraw/zinc/54/90/46/913549046.db2.gz YYPURDLFHDITJJ-ZYHUDNBSSA-N 2 2 381.236 3.764 20 0 GHADLP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)C2)c1 ZINC000248164941 891414030 /nfs/dbraw/zinc/41/40/30/891414030.db2.gz SUSVWKZLUHJPTN-NHCICSSKSA-N 2 2 394.563 3.559 20 0 GHADLP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)C2)c1 ZINC000248164941 891414046 /nfs/dbraw/zinc/41/40/46/891414046.db2.gz SUSVWKZLUHJPTN-NHCICSSKSA-N 2 2 394.563 3.559 20 0 GHADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000162017499 891977469 /nfs/dbraw/zinc/97/74/69/891977469.db2.gz SZOYKYAYWXZJTP-FQEVSTJZSA-N 2 2 384.545 3.724 20 0 GHADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000162041240 892041352 /nfs/dbraw/zinc/04/13/52/892041352.db2.gz KRFIHKGRGVGBKS-HSZRJFAPSA-N 2 2 396.531 3.573 20 0 GHADLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000815058904 893362522 /nfs/dbraw/zinc/36/25/22/893362522.db2.gz YLBKJPIKOWWVIP-CXAGYDPISA-N 2 2 389.765 3.584 20 0 GHADLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000815058904 893362542 /nfs/dbraw/zinc/36/25/42/893362542.db2.gz YLBKJPIKOWWVIP-CXAGYDPISA-N 2 2 389.765 3.584 20 0 GHADLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000815058904 893362563 /nfs/dbraw/zinc/36/25/63/893362563.db2.gz YLBKJPIKOWWVIP-CXAGYDPISA-N 2 2 389.765 3.584 20 0 GHADLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000815058904 893362584 /nfs/dbraw/zinc/36/25/84/893362584.db2.gz YLBKJPIKOWWVIP-CXAGYDPISA-N 2 2 389.765 3.584 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000563119669 893372841 /nfs/dbraw/zinc/37/28/41/893372841.db2.gz CKCIUDUDWGSWPT-NRFANRHFSA-N 2 2 393.531 3.811 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000563119669 893372859 /nfs/dbraw/zinc/37/28/59/893372859.db2.gz CKCIUDUDWGSWPT-NRFANRHFSA-N 2 2 393.531 3.811 20 0 GHADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000536649813 893454160 /nfs/dbraw/zinc/45/41/60/893454160.db2.gz DCZJTDBSGVRVMY-UHFFFAOYSA-N 2 2 375.476 3.548 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444791912 893530528 /nfs/dbraw/zinc/53/05/28/893530528.db2.gz MEBGMIAMSCULSZ-SVMVAKDDSA-N 2 2 394.563 3.744 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444791912 893530543 /nfs/dbraw/zinc/53/05/43/893530543.db2.gz MEBGMIAMSCULSZ-SVMVAKDDSA-N 2 2 394.563 3.744 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)c1cccc2ccccc21 ZINC000444796433 893550567 /nfs/dbraw/zinc/55/05/67/893550567.db2.gz BPBZHZMASCNCPA-PKOBYXMFSA-N 2 2 376.504 3.630 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)c1cccc2ccccc21 ZINC000444796433 893550588 /nfs/dbraw/zinc/55/05/88/893550588.db2.gz BPBZHZMASCNCPA-PKOBYXMFSA-N 2 2 376.504 3.630 20 0 GHADLP C[C@@H]1CN(c2ccccc2C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCO1 ZINC000459554493 893794066 /nfs/dbraw/zinc/79/40/66/893794066.db2.gz DBBCSZDBDXCLDY-HXUWFJFHSA-N 2 2 382.552 3.801 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000536864352 893960222 /nfs/dbraw/zinc/96/02/22/893960222.db2.gz QZAFHGORXCNJPL-YOEHRIQHSA-N 2 2 391.437 3.543 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000536864352 893960231 /nfs/dbraw/zinc/96/02/31/893960231.db2.gz QZAFHGORXCNJPL-YOEHRIQHSA-N 2 2 391.437 3.543 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)CC1 ZINC000817285661 895437024 /nfs/dbraw/zinc/43/70/24/895437024.db2.gz AVXCKDPLYLTNGX-LJQANCHMSA-N 2 2 397.567 3.598 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)CC1 ZINC000817285661 895437031 /nfs/dbraw/zinc/43/70/31/895437031.db2.gz AVXCKDPLYLTNGX-LJQANCHMSA-N 2 2 397.567 3.598 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN([C@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)CC1 ZINC000817285661 895437037 /nfs/dbraw/zinc/43/70/37/895437037.db2.gz AVXCKDPLYLTNGX-LJQANCHMSA-N 2 2 397.567 3.598 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN([C@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)CC1 ZINC000817285661 895437045 /nfs/dbraw/zinc/43/70/45/895437045.db2.gz AVXCKDPLYLTNGX-LJQANCHMSA-N 2 2 397.567 3.598 20 0 GHADLP COc1cccc(Sc2ccccc2C[NH2+]C2(CCO)CC[NH+](C)CC2)c1 ZINC000565217883 895466576 /nfs/dbraw/zinc/46/65/76/895466576.db2.gz KCFBVRTZRBKCRC-UHFFFAOYSA-N 2 2 386.561 3.783 20 0 GHADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000880132890 895532044 /nfs/dbraw/zinc/53/20/44/895532044.db2.gz GYSHXFCEYQWYEZ-KNKQGSTJSA-N 2 2 383.561 3.512 20 0 GHADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000880132890 895532052 /nfs/dbraw/zinc/53/20/52/895532052.db2.gz GYSHXFCEYQWYEZ-KNKQGSTJSA-N 2 2 383.561 3.512 20 0 GHADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000880132890 895532059 /nfs/dbraw/zinc/53/20/59/895532059.db2.gz GYSHXFCEYQWYEZ-KNKQGSTJSA-N 2 2 383.561 3.512 20 0 GHADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000880132890 895532066 /nfs/dbraw/zinc/53/20/66/895532066.db2.gz GYSHXFCEYQWYEZ-KNKQGSTJSA-N 2 2 383.561 3.512 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)([NH+]2CCCCC2)CC1 ZINC000565723350 895833380 /nfs/dbraw/zinc/83/33/80/895833380.db2.gz UAPYNJARZWPBOD-PCCBWWKXSA-N 2 2 375.601 3.659 20 0 GHADLP CCCCCC(C)(C)CNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817776679 895872183 /nfs/dbraw/zinc/87/21/83/895872183.db2.gz BVMXYSBOPGQUBA-UHFFFAOYSA-N 2 2 380.621 3.795 20 0 GHADLP CCCCCC(C)(C)CNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817776679 895872192 /nfs/dbraw/zinc/87/21/92/895872192.db2.gz BVMXYSBOPGQUBA-UHFFFAOYSA-N 2 2 380.621 3.795 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OCc3ccccc3F)cc2)C[C@H](C)O1 ZINC000818339765 896119595 /nfs/dbraw/zinc/11/95/95/896119595.db2.gz CRSNGDUENAKVRP-KDURUIRLSA-N 2 2 386.511 3.994 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(OCc3ccccc3F)cc2)C[C@H](C)O1 ZINC000818339765 896119600 /nfs/dbraw/zinc/11/96/00/896119600.db2.gz CRSNGDUENAKVRP-KDURUIRLSA-N 2 2 386.511 3.994 20 0 GHADLP COc1c(C)c[nH+]c(Cn2cc(C[NH2+][C@@H]3CCCc4ccccc43)nn2)c1C ZINC000881225086 896249152 /nfs/dbraw/zinc/24/91/52/896249152.db2.gz SKJCGVXZQYQHQJ-HXUWFJFHSA-N 2 2 377.492 3.514 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000129186436 896495174 /nfs/dbraw/zinc/49/51/74/896495174.db2.gz XAHOWDMTIOBYMW-QAPCUYQASA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000129186436 896495182 /nfs/dbraw/zinc/49/51/82/896495182.db2.gz XAHOWDMTIOBYMW-QAPCUYQASA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000129186436 896495187 /nfs/dbraw/zinc/49/51/87/896495187.db2.gz XAHOWDMTIOBYMW-QAPCUYQASA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000129186436 896495196 /nfs/dbraw/zinc/49/51/96/896495196.db2.gz XAHOWDMTIOBYMW-QAPCUYQASA-N 2 2 394.350 3.934 20 0 GHADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000566694590 896499569 /nfs/dbraw/zinc/49/95/69/896499569.db2.gz LRVKQGRYTAWOFE-MFXLTOHQSA-N 2 2 399.579 3.697 20 0 GHADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000566694590 896499575 /nfs/dbraw/zinc/49/95/75/896499575.db2.gz LRVKQGRYTAWOFE-MFXLTOHQSA-N 2 2 399.579 3.697 20 0 GHADLP CN(c1ccc([NH2+]CCCNC(=O)OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000774925840 914091408 /nfs/dbraw/zinc/09/14/08/914091408.db2.gz BANQDOKZPMSVLE-UHFFFAOYSA-N 2 2 376.545 3.544 20 0 GHADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000882873493 897061907 /nfs/dbraw/zinc/06/19/07/897061907.db2.gz BWDDSKWSCZNBAE-QHCPKHFHSA-N 2 2 388.515 3.653 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)n2)C1 ZINC001136351122 897392538 /nfs/dbraw/zinc/39/25/38/897392538.db2.gz GGEZATPWVQWOEI-SJORKVTESA-N 2 2 390.597 3.968 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)n2)C1 ZINC001136351122 897392549 /nfs/dbraw/zinc/39/25/49/897392549.db2.gz GGEZATPWVQWOEI-SJORKVTESA-N 2 2 390.597 3.968 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)n2)C1 ZINC001136351122 897392558 /nfs/dbraw/zinc/39/25/58/897392558.db2.gz GGEZATPWVQWOEI-SJORKVTESA-N 2 2 390.597 3.968 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)n2)C1 ZINC001136351122 897392567 /nfs/dbraw/zinc/39/25/67/897392567.db2.gz GGEZATPWVQWOEI-SJORKVTESA-N 2 2 390.597 3.968 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)CC[N@@H+]1C ZINC000883281668 897442327 /nfs/dbraw/zinc/44/23/27/897442327.db2.gz UKOQWAVOTGNZIS-YJBOKZPZSA-N 2 2 375.513 3.711 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)CC[N@H+]1C ZINC000883281668 897442332 /nfs/dbraw/zinc/44/23/32/897442332.db2.gz UKOQWAVOTGNZIS-YJBOKZPZSA-N 2 2 375.513 3.711 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)CC[NH+]1C ZINC000883281668 897442334 /nfs/dbraw/zinc/44/23/34/897442334.db2.gz UKOQWAVOTGNZIS-YJBOKZPZSA-N 2 2 375.513 3.711 20 0 GHADLP C[C@H]1C[C@@H]([N@H+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)CC[NH+]1C ZINC000883281668 897442339 /nfs/dbraw/zinc/44/23/39/897442339.db2.gz UKOQWAVOTGNZIS-YJBOKZPZSA-N 2 2 375.513 3.711 20 0 GHADLP CC(C)c1[nH+]c(CNc2cccc(CN3CC[NH+](C)CC3)c2)c2ccccn21 ZINC000568030537 897544797 /nfs/dbraw/zinc/54/47/97/897544797.db2.gz ZEAXPHVGMMBJHP-UHFFFAOYSA-N 2 2 377.536 3.817 20 0 GHADLP CC(C)c1[nH+]c(CNc2cccc(C[NH+]3CCN(C)CC3)c2)c2ccccn21 ZINC000568030537 897544809 /nfs/dbraw/zinc/54/48/09/897544809.db2.gz ZEAXPHVGMMBJHP-UHFFFAOYSA-N 2 2 377.536 3.817 20 0 GHADLP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000568545293 897924875 /nfs/dbraw/zinc/92/48/75/897924875.db2.gz GTOXBNXOTJGJBZ-LEWJYISDSA-N 2 2 381.520 3.634 20 0 GHADLP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000568545293 897924881 /nfs/dbraw/zinc/92/48/81/897924881.db2.gz GTOXBNXOTJGJBZ-LEWJYISDSA-N 2 2 381.520 3.634 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000568620375 897989418 /nfs/dbraw/zinc/98/94/18/897989418.db2.gz MDYKSPJAEDJGMS-UQBPGWFLSA-N 2 2 389.543 3.953 20 0 GHADLP CC(C)CCOc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000569625336 898834134 /nfs/dbraw/zinc/83/41/34/898834134.db2.gz GSNSQCXYCQSFNM-AIZNXBIQSA-N 2 2 385.596 3.854 20 0 GHADLP CC(C)CCOc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000569625336 898834147 /nfs/dbraw/zinc/83/41/47/898834147.db2.gz GSNSQCXYCQSFNM-AIZNXBIQSA-N 2 2 385.596 3.854 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000823653954 899164782 /nfs/dbraw/zinc/16/47/82/899164782.db2.gz JNAWTYCOBNKLFP-HKUYNNGSSA-N 2 2 388.556 3.818 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1C)CCC2 ZINC000570390990 899299361 /nfs/dbraw/zinc/29/93/61/899299361.db2.gz RFVIYLSUVVIBGX-UYAOXDASSA-N 2 2 385.552 3.704 20 0 GHADLP Brc1cc(Br)cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000570487897 899339652 /nfs/dbraw/zinc/33/96/52/899339652.db2.gz AIOYWKLTMHBZGI-LBPRGKRZSA-N 2 2 385.103 3.582 20 0 GHADLP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1ccc(Cl)cc1Br ZINC000570881546 899662026 /nfs/dbraw/zinc/66/20/26/899662026.db2.gz LMBGBXOBVGPNTF-UHFFFAOYSA-N 2 2 398.732 3.728 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cnc(Cl)c(C)c3)CC2)cc1 ZINC000824903706 899870168 /nfs/dbraw/zinc/87/01/68/899870168.db2.gz KGPHHFQDJROIFZ-UHFFFAOYSA-N 2 2 386.927 3.756 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3c[nH]c4cccc(F)c34)CC2)CC1 ZINC001136979684 899944212 /nfs/dbraw/zinc/94/42/12/899944212.db2.gz OGFVITWATVRJRB-UHFFFAOYSA-N 2 2 387.499 3.547 20 0 GHADLP Fc1cccc2[nH]cc(C[N@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)c21 ZINC001136982438 899955319 /nfs/dbraw/zinc/95/53/19/899955319.db2.gz BZXQHHVJDUWNSO-UHFFFAOYSA-N 2 2 381.499 3.548 20 0 GHADLP Fc1cccc2[nH]cc(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)c21 ZINC001136982438 899955326 /nfs/dbraw/zinc/95/53/26/899955326.db2.gz BZXQHHVJDUWNSO-UHFFFAOYSA-N 2 2 381.499 3.548 20 0 GHADLP CN(C(=O)c1cccc(C2CC2)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000571893651 900001661 /nfs/dbraw/zinc/00/16/61/900001661.db2.gz RCUPCPNHWFPWAH-PKTZIBPZSA-N 2 2 383.580 3.973 20 0 GHADLP CN(C(=O)c1cccc(C2CC2)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000571893651 900001671 /nfs/dbraw/zinc/00/16/71/900001671.db2.gz RCUPCPNHWFPWAH-PKTZIBPZSA-N 2 2 383.580 3.973 20 0 GHADLP Cc1cccc(-c2noc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)n2)c1 ZINC000333156000 900002639 /nfs/dbraw/zinc/00/26/39/900002639.db2.gz MLXFSORPIQLVHH-UHFFFAOYSA-N 2 2 377.492 3.957 20 0 GHADLP CC1CC[NH+]([C@H](CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c2ccccc2)CC1 ZINC000333198158 900029009 /nfs/dbraw/zinc/02/90/09/900029009.db2.gz XZBJYWYRMPBBDH-JOCHJYFZSA-N 2 2 395.551 3.772 20 0 GHADLP CC1CC[NH+]([C@H](CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c2ccccc2)CC1 ZINC000333198158 900029015 /nfs/dbraw/zinc/02/90/15/900029015.db2.gz XZBJYWYRMPBBDH-JOCHJYFZSA-N 2 2 395.551 3.772 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000825263457 900058373 /nfs/dbraw/zinc/05/83/73/900058373.db2.gz RFJROECUTQYVJG-HUUCEWRRSA-N 2 2 376.526 3.717 20 0 GHADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001143807963 900536078 /nfs/dbraw/zinc/53/60/78/900536078.db2.gz RQBZICKWVMBQSY-UHFFFAOYSA-N 2 2 380.838 3.676 20 0 GHADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001143807963 900536085 /nfs/dbraw/zinc/53/60/85/900536085.db2.gz RQBZICKWVMBQSY-UHFFFAOYSA-N 2 2 380.838 3.676 20 0 GHADLP CC(C)(CO)[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000573590197 900570033 /nfs/dbraw/zinc/57/00/33/900570033.db2.gz FQFMADBMRKBLHA-PKTZIBPZSA-N 2 2 382.548 3.627 20 0 GHADLP CC(C)(CO)[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000573590197 900570040 /nfs/dbraw/zinc/57/00/40/900570040.db2.gz FQFMADBMRKBLHA-PKTZIBPZSA-N 2 2 382.548 3.627 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)n2C ZINC000573606359 900574068 /nfs/dbraw/zinc/57/40/68/900574068.db2.gz UNFSTGOMHWKEHB-IBGZPJMESA-N 2 2 390.531 3.869 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)n2C ZINC000573606359 900574075 /nfs/dbraw/zinc/57/40/75/900574075.db2.gz UNFSTGOMHWKEHB-IBGZPJMESA-N 2 2 390.531 3.869 20 0 GHADLP COc1c(F)cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1Cl ZINC001143844924 900587223 /nfs/dbraw/zinc/58/72/23/900587223.db2.gz OKWJWVWKUATBGF-MSOLQXFVSA-N 2 2 389.902 3.837 20 0 GHADLP COc1c(F)cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1Cl ZINC001143844924 900587229 /nfs/dbraw/zinc/58/72/29/900587229.db2.gz OKWJWVWKUATBGF-MSOLQXFVSA-N 2 2 389.902 3.837 20 0 GHADLP COc1c(F)cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1Cl ZINC001143844924 900587238 /nfs/dbraw/zinc/58/72/38/900587238.db2.gz OKWJWVWKUATBGF-MSOLQXFVSA-N 2 2 389.902 3.837 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000574601639 900941083 /nfs/dbraw/zinc/94/10/83/900941083.db2.gz GBIYMWRWZBPJFW-NFBKMPQASA-N 3 2 396.579 3.555 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000574601639 900941089 /nfs/dbraw/zinc/94/10/89/900941089.db2.gz GBIYMWRWZBPJFW-NFBKMPQASA-N 3 2 396.579 3.555 20 0 GHADLP CC[N@H+](Cc1cnc(-c2ccc(OC)c(OC)c2)s1)C1CC[NH+](C)CC1 ZINC001144064668 901008823 /nfs/dbraw/zinc/00/88/23/901008823.db2.gz NZLOOWCQKGJIDD-UHFFFAOYSA-N 2 2 375.538 3.743 20 0 GHADLP CC[N@@H+](Cc1cnc(-c2ccc(OC)c(OC)c2)s1)C1CC[NH+](C)CC1 ZINC001144064668 901008838 /nfs/dbraw/zinc/00/88/38/901008838.db2.gz NZLOOWCQKGJIDD-UHFFFAOYSA-N 2 2 375.538 3.743 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001144099662 901064230 /nfs/dbraw/zinc/06/42/30/901064230.db2.gz ZMIDWCYIQQVNDX-HXUWFJFHSA-N 2 2 383.540 3.608 20 0 GHADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001144099662 901064244 /nfs/dbraw/zinc/06/42/44/901064244.db2.gz ZMIDWCYIQQVNDX-HXUWFJFHSA-N 2 2 383.540 3.608 20 0 GHADLP CCC1([NH+]2CCC2)CCN(CC[C@H](C)[NH+]2CCC(CC)([NH+]3CCC3)CC2)CC1 ZINC000886714152 901242978 /nfs/dbraw/zinc/24/29/78/901242978.db2.gz CNTIVPWFUASRQR-QFIPXVFZSA-N 3 2 390.660 3.666 20 0 GHADLP CCC1([NH+]2CCC2)CCN([C@@H](C)CC[NH+]2CCC(CC)([NH+]3CCC3)CC2)CC1 ZINC000886714152 901242997 /nfs/dbraw/zinc/24/29/97/901242997.db2.gz CNTIVPWFUASRQR-QFIPXVFZSA-N 3 2 390.660 3.666 20 0 GHADLP Cc1cc2ncc([C@@H](C)[NH2+]C3CC[NH+]([C@@H](C)c4ccncc4)CC3)c(C)n2n1 ZINC000090668024 901438519 /nfs/dbraw/zinc/43/85/19/901438519.db2.gz DLZLQHNAZKWCRV-SJORKVTESA-N 2 2 378.524 3.617 20 0 GHADLP COc1cc(Cl)c(C[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1Cl ZINC000576068815 901645009 /nfs/dbraw/zinc/64/50/09/901645009.db2.gz SZAUAIZAIIAFNP-UHFFFAOYSA-N 2 2 384.307 3.627 20 0 GHADLP CCOC(=O)c1[nH]ccc1C[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001144336835 901807061 /nfs/dbraw/zinc/80/70/61/901807061.db2.gz VPKVGZWTKAFVSK-GPQLQYNLSA-N 2 2 383.536 3.586 20 0 GHADLP CCOC(=O)c1[nH]ccc1C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001144336835 901807108 /nfs/dbraw/zinc/80/71/08/901807108.db2.gz VPKVGZWTKAFVSK-GPQLQYNLSA-N 2 2 383.536 3.586 20 0 GHADLP CCOC(=O)c1[nH]ccc1C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001144336835 901807133 /nfs/dbraw/zinc/80/71/33/901807133.db2.gz VPKVGZWTKAFVSK-GPQLQYNLSA-N 2 2 383.536 3.586 20 0 GHADLP CCOC(=O)c1[nH]ccc1C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001144336835 901807139 /nfs/dbraw/zinc/80/71/39/901807139.db2.gz VPKVGZWTKAFVSK-GPQLQYNLSA-N 2 2 383.536 3.586 20 0 GHADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000576345741 901966446 /nfs/dbraw/zinc/96/64/46/901966446.db2.gz NPXNVXXBTDTYSG-AZUAARDMSA-N 2 2 378.520 3.504 20 0 GHADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000576345741 901966460 /nfs/dbraw/zinc/96/64/60/901966460.db2.gz NPXNVXXBTDTYSG-AZUAARDMSA-N 2 2 378.520 3.504 20 0 GHADLP COC[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccc(Cl)c1F ZINC000290288694 914612840 /nfs/dbraw/zinc/61/28/40/914612840.db2.gz MQIKATXWHWLXKI-SFHVURJKSA-N 2 2 395.906 3.682 20 0 GHADLP C[C@@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1Cl ZINC000264628734 903264768 /nfs/dbraw/zinc/26/47/68/903264768.db2.gz QOEQJXATISYXKQ-CYBMUJFWSA-N 2 2 381.307 3.704 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264760886 903362916 /nfs/dbraw/zinc/36/29/16/903362916.db2.gz UJURXLHZYVWDPT-QGZVFWFLSA-N 2 2 385.512 3.542 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cncc(Br)c1 ZINC000578144524 903556458 /nfs/dbraw/zinc/55/64/58/903556458.db2.gz WGWQDEGEFIQAMF-SUMWQHHRSA-N 2 2 390.329 3.553 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(OCc2ccccc2)cn1 ZINC001146987513 903654232 /nfs/dbraw/zinc/65/42/32/903654232.db2.gz VUNWXCHBLHXCPV-UHFFFAOYSA-N 2 2 385.427 3.802 20 0 GHADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Br)ccc3OC(F)F)C[C@H]21 ZINC000578507524 903916386 /nfs/dbraw/zinc/91/63/86/903916386.db2.gz USHMYVACGSAINL-LERXQTSPSA-N 2 2 375.257 3.610 20 0 GHADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3OC(F)F)C[C@H]21 ZINC000578507524 903916399 /nfs/dbraw/zinc/91/63/99/903916399.db2.gz USHMYVACGSAINL-LERXQTSPSA-N 2 2 375.257 3.610 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cc(C)cc4cccnc43)CC2)CC1 ZINC000578736993 904089841 /nfs/dbraw/zinc/08/98/41/904089841.db2.gz HKPFBCBZYILRBN-UHFFFAOYSA-N 2 2 395.551 3.567 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cc(C)cc4cccnc43)CC2)CC1 ZINC000578736993 904089850 /nfs/dbraw/zinc/08/98/50/904089850.db2.gz HKPFBCBZYILRBN-UHFFFAOYSA-N 2 2 395.551 3.567 20 0 GHADLP COc1ccc(Cl)c2c1C[C@@H](N(c1cc[nH+]cc1F)C1CC[NH2+]CC1)CC2 ZINC001171334340 904118426 /nfs/dbraw/zinc/11/84/26/904118426.db2.gz QZLDYWWXTRTRSD-HNNXBMFYSA-N 2 2 389.902 3.999 20 0 GHADLP C[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)N1CCc2ccccc2C1 ZINC000159819209 904155157 /nfs/dbraw/zinc/15/51/57/904155157.db2.gz SZSZTKPASYTSRA-HXUWFJFHSA-N 2 2 392.591 3.758 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151691753 904180482 /nfs/dbraw/zinc/18/04/82/904180482.db2.gz AHZMNZQPCXYNDQ-CABCVRRESA-N 2 2 387.480 3.827 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000153416472 904360196 /nfs/dbraw/zinc/36/01/96/904360196.db2.gz NLLBCPOIYROVAQ-VGSWGCGISA-N 2 2 390.487 3.841 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)CC2)cc1 ZINC000773141691 904478094 /nfs/dbraw/zinc/47/80/94/904478094.db2.gz ULDXCQDNTDCHJA-AABGKKOBSA-N 2 2 377.623 3.691 20 0 GHADLP CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000290774560 914814876 /nfs/dbraw/zinc/81/48/76/914814876.db2.gz BKNYWYFOPWMVCG-FCHUYYIVSA-N 2 2 386.584 3.614 20 0 GHADLP CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000290774560 914814889 /nfs/dbraw/zinc/81/48/89/914814889.db2.gz BKNYWYFOPWMVCG-FCHUYYIVSA-N 2 2 386.584 3.614 20 0 GHADLP CC1([NH+]2CCCCC2)CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000890241828 904952664 /nfs/dbraw/zinc/95/26/64/904952664.db2.gz CTKWFWHZRSYTLU-OAQYLSRUSA-N 2 2 395.551 3.674 20 0 GHADLP FC1(F)C[C@]12CCC[N@H+](CCC[NH+]1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC001171694797 904967536 /nfs/dbraw/zinc/96/75/36/904967536.db2.gz TZMBBMRXTYVCAI-IBGZPJMESA-N 2 2 383.914 3.973 20 0 GHADLP FC1(F)C[C@]12CCC[N@@H+](CCC[NH+]1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC001171694797 904967546 /nfs/dbraw/zinc/96/75/46/904967546.db2.gz TZMBBMRXTYVCAI-IBGZPJMESA-N 2 2 383.914 3.973 20 0 GHADLP FC1(F)C[C@@]12CCC[N@H+](CCC[NH+]1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC001171694799 904968005 /nfs/dbraw/zinc/96/80/05/904968005.db2.gz TZMBBMRXTYVCAI-LJQANCHMSA-N 2 2 383.914 3.973 20 0 GHADLP FC1(F)C[C@@]12CCC[N@@H+](CCC[NH+]1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC001171694799 904968013 /nfs/dbraw/zinc/96/80/13/904968013.db2.gz TZMBBMRXTYVCAI-LJQANCHMSA-N 2 2 383.914 3.973 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171907784 905139079 /nfs/dbraw/zinc/13/90/79/905139079.db2.gz ZMLQGWLRLIXPNJ-NHCUHLMSSA-N 2 2 379.504 3.538 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171907784 905139090 /nfs/dbraw/zinc/13/90/90/905139090.db2.gz ZMLQGWLRLIXPNJ-NHCUHLMSSA-N 2 2 379.504 3.538 20 0 GHADLP CN(C)C(=O)[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000174156536 905212596 /nfs/dbraw/zinc/21/25/96/905212596.db2.gz KTHNKZAVPSFPNS-QHCPKHFHSA-N 2 2 391.515 3.831 20 0 GHADLP CN(C)C(=O)[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC000174156536 905212606 /nfs/dbraw/zinc/21/26/06/905212606.db2.gz KTHNKZAVPSFPNS-QHCPKHFHSA-N 2 2 391.515 3.831 20 0 GHADLP Cc1cc(N2CC[NH+]([C@H](C)Cc3ccc(C(F)(F)F)cc3)CC2)nc(C)[nH+]1 ZINC001171973235 905218579 /nfs/dbraw/zinc/21/85/79/905218579.db2.gz HFPSACFWCFNUCW-OAHLLOKOSA-N 2 2 378.442 3.865 20 0 GHADLP CCCNC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172073842 905280341 /nfs/dbraw/zinc/28/03/41/905280341.db2.gz CYUXDTDMDOXORC-AFXVXQJMSA-N 2 2 383.580 3.953 20 0 GHADLP CCCNC(=O)[C@@H]1CCCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172073842 905280358 /nfs/dbraw/zinc/28/03/58/905280358.db2.gz CYUXDTDMDOXORC-AFXVXQJMSA-N 2 2 383.580 3.953 20 0 GHADLP CCCNC(=O)[C@@H]1CCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172073842 905280378 /nfs/dbraw/zinc/28/03/78/905280378.db2.gz CYUXDTDMDOXORC-AFXVXQJMSA-N 2 2 383.580 3.953 20 0 GHADLP CCCNC(=O)[C@@H]1CCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073842 905280396 /nfs/dbraw/zinc/28/03/96/905280396.db2.gz CYUXDTDMDOXORC-AFXVXQJMSA-N 2 2 383.580 3.953 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3ccc(C(=O)OC(C)(C)C)cc3)CC1)C2 ZINC001172127681 905341758 /nfs/dbraw/zinc/34/17/58/905341758.db2.gz JIAXGWPQUOIBAR-KOUNCHBCSA-N 2 2 399.579 3.779 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3ccc(C(=O)OC(C)(C)C)cc3)CC1)C2 ZINC001172127681 905341775 /nfs/dbraw/zinc/34/17/75/905341775.db2.gz JIAXGWPQUOIBAR-KOUNCHBCSA-N 2 2 399.579 3.779 20 0 GHADLP c1ccc([C@@H]2CCC[C@@H]([N@H+]3CCc4nnc(C[NH+]5CCCCC5)n4CC3)C2)cc1 ZINC001172544307 905649373 /nfs/dbraw/zinc/64/93/73/905649373.db2.gz SQEMDLPGEGCNQH-FGZHOGPDSA-N 2 2 393.579 3.849 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172641588 905703989 /nfs/dbraw/zinc/70/39/89/905703989.db2.gz GYWIOUDKUPYNFR-WTGUMLROSA-N 2 2 379.589 3.971 20 0 GHADLP CCCC[C@@H]1C[C@H]([N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172641588 905703999 /nfs/dbraw/zinc/70/39/99/905703999.db2.gz GYWIOUDKUPYNFR-WTGUMLROSA-N 2 2 379.589 3.971 20 0 GHADLP CCCC[C@@H]1C[C@H]([NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172641588 905704001 /nfs/dbraw/zinc/70/40/01/905704001.db2.gz GYWIOUDKUPYNFR-WTGUMLROSA-N 2 2 379.589 3.971 20 0 GHADLP CCCC[C@@H]1C[C@H]([NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172641588 905704009 /nfs/dbraw/zinc/70/40/09/905704009.db2.gz GYWIOUDKUPYNFR-WTGUMLROSA-N 2 2 379.589 3.971 20 0 GHADLP COC(=O)N1CCC([NH2+]CC2C[NH+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC001172732476 905779602 /nfs/dbraw/zinc/77/96/02/905779602.db2.gz VPIBAADTMRTFBN-UHFFFAOYSA-N 2 2 393.531 3.528 20 0 GHADLP Clc1ccc2c(c1)C[C@H]([NH+]1CCC3(CC1)C[N@H+](Cc1ccoc1)CCO3)C2 ZINC001172714089 905795665 /nfs/dbraw/zinc/79/56/65/905795665.db2.gz NMRAGYFZYAKMMH-OAQYLSRUSA-N 2 2 386.923 3.767 20 0 GHADLP Clc1ccc2c(c1)C[C@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccoc1)CCO3)C2 ZINC001172714089 905795673 /nfs/dbraw/zinc/79/56/73/905795673.db2.gz NMRAGYFZYAKMMH-OAQYLSRUSA-N 2 2 386.923 3.767 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177182329 906057821 /nfs/dbraw/zinc/05/78/21/906057821.db2.gz KRXDGSHDEKVPGR-SJORKVTESA-N 2 2 398.532 3.534 20 0 GHADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177489971 906147334 /nfs/dbraw/zinc/14/73/34/906147334.db2.gz AFESNFXXEXTKRW-LJQANCHMSA-N 2 2 389.584 3.924 20 0 GHADLP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000177782988 906214835 /nfs/dbraw/zinc/21/48/35/906214835.db2.gz KQWKXAMSRDKXOI-WIYYLYMNSA-N 2 2 391.519 3.529 20 0 GHADLP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000177782988 906214851 /nfs/dbraw/zinc/21/48/51/906214851.db2.gz KQWKXAMSRDKXOI-WIYYLYMNSA-N 2 2 391.519 3.529 20 0 GHADLP c1ccc(OC2CCC([NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)CC2)cc1 ZINC001173202168 906287755 /nfs/dbraw/zinc/28/77/55/906287755.db2.gz NRADGCLWFGJDTK-RKXGBWJPSA-N 2 2 377.532 3.835 20 0 GHADLP CCc1ccc(C[C@H](C)N(c2cccc[nH+]2)[C@H]2COC3(C2)CC[NH2+]CC3)cc1 ZINC001173243314 906331275 /nfs/dbraw/zinc/33/12/75/906331275.db2.gz AKTYGFARZTWMGV-SIKLNZKXSA-N 2 2 379.548 3.993 20 0 GHADLP C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000190958220 906479618 /nfs/dbraw/zinc/47/96/18/906479618.db2.gz HKFYAEMPYLTQQI-ZDUSSCGKSA-N 2 2 395.881 3.926 20 0 GHADLP COCOC1(c2ccc(Br)cc2)CCC([NH2+][C@@H](C)C[NH+](C)C)CC1 ZINC001173558877 906532145 /nfs/dbraw/zinc/53/21/45/906532145.db2.gz DBLXYCVYJDRVEW-MNNVXMFVSA-N 2 2 399.373 3.747 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC001173713567 906664324 /nfs/dbraw/zinc/66/43/24/906664324.db2.gz GHSXVRMSAURPJM-GOSISDBHSA-N 2 2 396.531 3.667 20 0 GHADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000629528343 906856987 /nfs/dbraw/zinc/85/69/87/906856987.db2.gz WUFONENOOFOYQT-DDTOSNHZSA-N 2 2 377.838 3.806 20 0 GHADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cn1 ZINC000629657492 906933714 /nfs/dbraw/zinc/93/37/14/906933714.db2.gz YPVVBMRPPWEGKW-FUHWJXTLSA-N 2 2 378.442 3.809 20 0 GHADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cn1 ZINC000629657492 906933733 /nfs/dbraw/zinc/93/37/33/906933733.db2.gz YPVVBMRPPWEGKW-FUHWJXTLSA-N 2 2 378.442 3.809 20 0 GHADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629665398 906941950 /nfs/dbraw/zinc/94/19/50/906941950.db2.gz KYYPUJGONARZCS-ZRZAMGCNSA-N 2 2 382.552 3.745 20 0 GHADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629665398 906941961 /nfs/dbraw/zinc/94/19/61/906941961.db2.gz KYYPUJGONARZCS-ZRZAMGCNSA-N 2 2 382.552 3.745 20 0 GHADLP CC[C@H](c1ccncc1)[N@H+](C)CC1(C[NH+](C)[C@@H](CC)c2ccncc2)COC1 ZINC000182377536 907194822 /nfs/dbraw/zinc/19/48/22/907194822.db2.gz WWGYQWUBPYGRDT-SZPZYZBQSA-N 2 2 382.552 3.959 20 0 GHADLP CC[C@H](c1ccncc1)[N@@H+](C)CC1(C[NH+](C)[C@@H](CC)c2ccncc2)COC1 ZINC000182377536 907194830 /nfs/dbraw/zinc/19/48/30/907194830.db2.gz WWGYQWUBPYGRDT-SZPZYZBQSA-N 2 2 382.552 3.959 20 0 GHADLP CC[C@H](c1ccncc1)[NH+](C)CC1(C[N@H+](C)[C@@H](CC)c2ccncc2)COC1 ZINC000182377536 907194832 /nfs/dbraw/zinc/19/48/32/907194832.db2.gz WWGYQWUBPYGRDT-SZPZYZBQSA-N 2 2 382.552 3.959 20 0 GHADLP CC[C@H](c1ccncc1)[NH+](C)CC1(C[N@@H+](C)[C@@H](CC)c2ccncc2)COC1 ZINC000182377536 907194837 /nfs/dbraw/zinc/19/48/37/907194837.db2.gz WWGYQWUBPYGRDT-SZPZYZBQSA-N 2 2 382.552 3.959 20 0 GHADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(OC)c1OC ZINC000631569548 907760583 /nfs/dbraw/zinc/76/05/83/907760583.db2.gz KIQMSSZKDIIHBG-NRFANRHFSA-N 2 2 384.520 3.777 20 0 GHADLP CCC(CC)(C[NH2+][C@@H](C)C1CCS(=O)(=O)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000187230416 908058375 /nfs/dbraw/zinc/05/83/75/908058375.db2.gz NRXIEXRAEILQIR-ROUUACIJSA-N 2 2 380.598 3.699 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl)CCC2 ZINC000366208196 921377957 /nfs/dbraw/zinc/37/79/57/921377957.db2.gz GZAGMQVYXXKWDP-NVXWUHKLSA-N 2 2 388.943 3.749 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(N2CCOCC2)c1 ZINC000366215026 921384097 /nfs/dbraw/zinc/38/40/97/921384097.db2.gz TTYHTUHFMSTNPX-KRWDZBQOSA-N 2 2 380.467 3.699 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000366220084 921387206 /nfs/dbraw/zinc/38/72/06/921387206.db2.gz COEGUVYXEQCOPF-PFATUAPWSA-N 3 2 392.591 3.794 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000366220084 921387215 /nfs/dbraw/zinc/38/72/15/921387215.db2.gz COEGUVYXEQCOPF-PFATUAPWSA-N 3 2 392.591 3.794 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000366220084 921387223 /nfs/dbraw/zinc/38/72/23/921387223.db2.gz COEGUVYXEQCOPF-PFATUAPWSA-N 3 2 392.591 3.794 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366220084 921387233 /nfs/dbraw/zinc/38/72/33/921387233.db2.gz COEGUVYXEQCOPF-PFATUAPWSA-N 3 2 392.591 3.794 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(Br)cn2)cc1F ZINC001177454011 908576655 /nfs/dbraw/zinc/57/66/55/908576655.db2.gz ILAAWNDLLKSPGW-UHFFFAOYSA-N 2 2 375.245 3.767 20 0 GHADLP Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001177506554 908606830 /nfs/dbraw/zinc/60/68/30/908606830.db2.gz PXRRVEXPJQYFGB-UHFFFAOYSA-N 2 2 386.536 3.886 20 0 GHADLP C[NH+](C)Cc1ccc(-c2noc([C@H]([NH3+])c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000634554592 908763495 /nfs/dbraw/zinc/76/34/95/908763495.db2.gz GTMZMJIYUHRRPJ-MRXNPFEDSA-N 2 2 376.382 3.865 20 0 GHADLP C[C@](O)(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1Br ZINC001178575862 909130874 /nfs/dbraw/zinc/13/08/74/909130874.db2.gz FFPJIXGNIZGATN-KRWDZBQOSA-N 2 2 392.322 3.694 20 0 GHADLP C[C@@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000266952481 909348091 /nfs/dbraw/zinc/34/80/91/909348091.db2.gz TZXWYZNLASGEJW-CQSZACIVSA-N 2 2 398.378 3.772 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3sccc3C[NH+](C)C)n2)C1 ZINC000268117107 909773227 /nfs/dbraw/zinc/77/32/27/909773227.db2.gz SMIQKKMFMKIKJP-CYBMUJFWSA-N 2 2 378.567 3.750 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3sccc3C[NH+](C)C)n2)C1 ZINC000268117107 909773240 /nfs/dbraw/zinc/77/32/40/909773240.db2.gz SMIQKKMFMKIKJP-CYBMUJFWSA-N 2 2 378.567 3.750 20 0 GHADLP CN(C(=O)/C=C/c1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245682076 909822412 /nfs/dbraw/zinc/82/24/12/909822412.db2.gz HPROIGDBHNFCKS-CXYUPCIPSA-N 2 2 387.543 3.635 20 0 GHADLP CN(C(=O)/C=C/c1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245682076 909822438 /nfs/dbraw/zinc/82/24/38/909822438.db2.gz HPROIGDBHNFCKS-CXYUPCIPSA-N 2 2 387.543 3.635 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2CC(F)(F)F)CC1 ZINC001179989097 909855081 /nfs/dbraw/zinc/85/50/81/909855081.db2.gz LFIZPOLWQKZARN-QZTJIDSGSA-N 2 2 383.502 3.782 20 0 GHADLP C[C@@H]([NH2+][C@H](c1nccn1C)c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268791583 910018961 /nfs/dbraw/zinc/01/89/61/910018961.db2.gz YBLMSQXFTVQKMD-VGSWGCGISA-N 2 2 396.510 3.940 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cs1)c1ccccc1 ZINC000638335650 910124605 /nfs/dbraw/zinc/12/46/05/910124605.db2.gz QWDVWZVEPKLCIT-HNNXBMFYSA-N 2 2 383.521 3.759 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638843914 910250673 /nfs/dbraw/zinc/25/06/73/910250673.db2.gz RDNKNIISHQZYBD-OFNKIYASSA-N 2 2 398.572 3.938 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638843914 910250691 /nfs/dbraw/zinc/25/06/91/910250691.db2.gz RDNKNIISHQZYBD-OFNKIYASSA-N 2 2 398.572 3.938 20 0 GHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C[C@H]3CCN(c4ccccc4)C3)C2)CC1 ZINC000639122170 910323834 /nfs/dbraw/zinc/32/38/34/910323834.db2.gz ZGGUWGPGDCDFJO-PPDQVPDSSA-N 2 2 381.486 3.908 20 0 GHADLP CN(C(=O)c1cccc2cccnc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000270021137 910409136 /nfs/dbraw/zinc/40/91/36/910409136.db2.gz DIMLKRNMGZWLFC-YADHBBJMSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cccc2cccnc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000270021137 910409137 /nfs/dbraw/zinc/40/91/37/910409137.db2.gz DIMLKRNMGZWLFC-YADHBBJMSA-N 2 2 394.563 3.644 20 0 GHADLP C[N@H+](CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CCCC1 ZINC000270333144 910523387 /nfs/dbraw/zinc/52/33/87/910523387.db2.gz MKOLLEYAOQAGBE-UHFFFAOYSA-N 2 2 379.508 3.598 20 0 GHADLP C[N@@H+](CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CCCC1 ZINC000270333144 910523416 /nfs/dbraw/zinc/52/34/16/910523416.db2.gz MKOLLEYAOQAGBE-UHFFFAOYSA-N 2 2 379.508 3.598 20 0 GHADLP C[NH+]1CCC2(CC[N@H+](Cc3nc(=O)c4cc(-c5ccccc5)sc4[nH]3)C2)CC1 ZINC000639756950 910649368 /nfs/dbraw/zinc/64/93/68/910649368.db2.gz DZFPNWXMVGKBMP-UHFFFAOYSA-N 2 2 394.544 3.982 20 0 GHADLP C[NH+]1CCC2(CC[N@@H+](Cc3nc(=O)c4cc(-c5ccccc5)sc4[nH]3)C2)CC1 ZINC000639756950 910649371 /nfs/dbraw/zinc/64/93/71/910649371.db2.gz DZFPNWXMVGKBMP-UHFFFAOYSA-N 2 2 394.544 3.982 20 0 GHADLP CCC1([NH+](C)C)CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000639890098 910721482 /nfs/dbraw/zinc/72/14/82/910721482.db2.gz OCTRQKSJLLQGIP-UHFFFAOYSA-N 2 2 393.535 3.940 20 0 GHADLP Cn1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(-c2ccccc2)n1 ZINC000271491972 910927369 /nfs/dbraw/zinc/92/73/69/910927369.db2.gz JKUGWCYMLUXTIB-UHFFFAOYSA-N 2 2 390.535 3.625 20 0 GHADLP CC1CC[NH+](CCC[C@H]([NH2+]Cc2nnc3n2CCC3)c2ccc(F)cc2)CC1 ZINC000284271289 911809327 /nfs/dbraw/zinc/80/93/27/911809327.db2.gz WWRIVRBITLJBGI-FQEVSTJZSA-N 2 2 385.531 3.706 20 0 GHADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001183030745 912206054 /nfs/dbraw/zinc/20/60/54/912206054.db2.gz PZTDYTHNNKBGRO-VGSWGCGISA-N 2 2 392.503 3.797 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000796365152 915031917 /nfs/dbraw/zinc/03/19/17/915031917.db2.gz YAYHSURVWDUNBV-LJQANCHMSA-N 2 2 395.938 3.841 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000796365152 915031934 /nfs/dbraw/zinc/03/19/34/915031934.db2.gz YAYHSURVWDUNBV-LJQANCHMSA-N 2 2 395.938 3.841 20 0 GHADLP C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@@H+]1C ZINC000291509064 915220772 /nfs/dbraw/zinc/22/07/72/915220772.db2.gz OLJNSFDEUMOVHX-VQIMIIECSA-N 2 2 381.524 3.833 20 0 GHADLP C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@H+]1C ZINC000291509064 915220786 /nfs/dbraw/zinc/22/07/86/915220786.db2.gz OLJNSFDEUMOVHX-VQIMIIECSA-N 2 2 381.524 3.833 20 0 GHADLP Clc1ccc(OC[C@@H]2CCCO2)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647479801 915290155 /nfs/dbraw/zinc/29/01/55/915290155.db2.gz UYTAGNVHGXZIOC-LSTHTHJFSA-N 2 2 378.944 3.862 20 0 GHADLP Clc1ccc(OC[C@@H]2CCCO2)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647479801 915290168 /nfs/dbraw/zinc/29/01/68/915290168.db2.gz UYTAGNVHGXZIOC-LSTHTHJFSA-N 2 2 378.944 3.862 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899581 915430715 /nfs/dbraw/zinc/43/07/15/915430715.db2.gz PSOSSVIORHQRAU-OIBXWCBGSA-N 2 2 391.559 3.745 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899581 915430725 /nfs/dbraw/zinc/43/07/25/915430725.db2.gz PSOSSVIORHQRAU-OIBXWCBGSA-N 2 2 391.559 3.745 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000647934057 915442307 /nfs/dbraw/zinc/44/23/07/915442307.db2.gz DVMHLJHATXQDRV-PZJWPPBQSA-N 2 2 379.552 3.663 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000647934057 915442315 /nfs/dbraw/zinc/44/23/15/915442315.db2.gz DVMHLJHATXQDRV-PZJWPPBQSA-N 2 2 379.552 3.663 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](CC)C3)cs2)cc1OC ZINC000647940121 915443983 /nfs/dbraw/zinc/44/39/83/915443983.db2.gz NDMBPWYFPPVFOP-WMLDXEAASA-N 2 2 375.538 3.777 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](CC)C3)cs2)cc1OC ZINC000647940121 915443991 /nfs/dbraw/zinc/44/39/91/915443991.db2.gz NDMBPWYFPPVFOP-WMLDXEAASA-N 2 2 375.538 3.777 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)c1 ZINC000292734138 915819214 /nfs/dbraw/zinc/81/92/14/915819214.db2.gz UVOCBMIRCUSDFI-UHFFFAOYSA-N 2 2 393.491 3.891 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000648837147 915900744 /nfs/dbraw/zinc/90/07/44/915900744.db2.gz DEWAGFAHHGMJDC-AZUAARDMSA-N 2 2 379.508 3.768 20 0 GHADLP CC[N@H+](Cc1cc2n(n1)CCCC2)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000649561988 916232660 /nfs/dbraw/zinc/23/26/60/916232660.db2.gz QRMZIRBUIJCZCH-UHFFFAOYSA-N 2 2 396.583 3.932 20 0 GHADLP CC[N@@H+](Cc1cc2n(n1)CCCC2)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000649561988 916232676 /nfs/dbraw/zinc/23/26/76/916232676.db2.gz QRMZIRBUIJCZCH-UHFFFAOYSA-N 2 2 396.583 3.932 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@H+]1CCCn1cc[nH+]c1C ZINC000360665074 916259478 /nfs/dbraw/zinc/25/94/78/916259478.db2.gz VIHDMCWWHSWDLU-QFIPXVFZSA-N 2 2 393.535 3.517 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000360665074 916259495 /nfs/dbraw/zinc/25/94/95/916259495.db2.gz VIHDMCWWHSWDLU-QFIPXVFZSA-N 2 2 393.535 3.517 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)n2)cc1 ZINC000293630197 916299854 /nfs/dbraw/zinc/29/98/54/916299854.db2.gz KEINKQFZMDZRPP-QGZVFWFLSA-N 2 2 376.508 3.730 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)o1 ZINC000650427104 916976213 /nfs/dbraw/zinc/97/62/13/916976213.db2.gz ZJLGZBWQZFWVKN-UHFFFAOYSA-N 2 2 386.883 3.891 20 0 GHADLP CCCN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000651224131 917530396 /nfs/dbraw/zinc/53/03/96/917530396.db2.gz HYRMBGLGBFFRGS-QFIPXVFZSA-N 2 2 394.563 3.665 20 0 GHADLP CCCN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000651224131 917530404 /nfs/dbraw/zinc/53/04/04/917530404.db2.gz HYRMBGLGBFFRGS-QFIPXVFZSA-N 2 2 394.563 3.665 20 0 GHADLP CC1(C)C[N@H+](Cc2cc(Cl)cc(C[NH+]3CC[C@H](O)C(C)(C)C3)c2)CC[C@H]1O ZINC000295880403 917572398 /nfs/dbraw/zinc/57/23/98/917572398.db2.gz ZRMXHVDAJNTXHZ-BGYRXZFFSA-N 2 2 394.987 3.526 20 0 GHADLP CC1(C)C[N@@H+](Cc2cc(Cl)cc(C[NH+]3CC[C@H](O)C(C)(C)C3)c2)CC[C@H]1O ZINC000295880403 917572410 /nfs/dbraw/zinc/57/24/10/917572410.db2.gz ZRMXHVDAJNTXHZ-BGYRXZFFSA-N 2 2 394.987 3.526 20 0 GHADLP CC1(C)C[NH+](Cc2cc(Cl)cc(C[N@@H+]3CC[C@H](O)C(C)(C)C3)c2)CC[C@H]1O ZINC000295880403 917572415 /nfs/dbraw/zinc/57/24/15/917572415.db2.gz ZRMXHVDAJNTXHZ-BGYRXZFFSA-N 2 2 394.987 3.526 20 0 GHADLP CC1(C)C[NH+](Cc2cc(Cl)cc(C[N@H+]3CC[C@H](O)C(C)(C)C3)c2)CC[C@H]1O ZINC000295880403 917572425 /nfs/dbraw/zinc/57/24/25/917572425.db2.gz ZRMXHVDAJNTXHZ-BGYRXZFFSA-N 2 2 394.987 3.526 20 0 GHADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652139123 917812945 /nfs/dbraw/zinc/81/29/45/917812945.db2.gz ALSIMOGPHJDOQC-GOSISDBHSA-N 2 2 385.508 3.817 20 0 GHADLP C[NH+](C)C1(CNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC[NH+](C)CC1 ZINC001192050783 918356173 /nfs/dbraw/zinc/35/61/73/918356173.db2.gz VKRSSVCWWAXINN-UHFFFAOYSA-N 2 2 393.746 3.794 20 0 GHADLP O[C@@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1Cl ZINC000800403376 920034436 /nfs/dbraw/zinc/03/44/36/920034436.db2.gz KFCWNAMHPRLCFW-KUHUBIRLSA-N 2 2 377.891 3.925 20 0 GHADLP O[C@@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1Cl ZINC000800403376 920034451 /nfs/dbraw/zinc/03/44/51/920034451.db2.gz KFCWNAMHPRLCFW-KUHUBIRLSA-N 2 2 377.891 3.925 20 0 GHADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902443688 922200067 /nfs/dbraw/zinc/20/00/67/922200067.db2.gz LOSCPBCGSAXBSQ-QHLBDZCJSA-N 2 2 377.410 3.637 20 0 GHADLP CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000367710696 922278010 /nfs/dbraw/zinc/27/80/10/922278010.db2.gz ZRVYFGFLTCAMGM-CQSZACIVSA-N 2 2 394.313 3.579 20 0 GHADLP CCOc1c(Br)cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000367710696 922278026 /nfs/dbraw/zinc/27/80/26/922278026.db2.gz ZRVYFGFLTCAMGM-CQSZACIVSA-N 2 2 394.313 3.579 20 0 GHADLP C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902747920 922458505 /nfs/dbraw/zinc/45/85/05/922458505.db2.gz ZDHZGRDFXHEYCO-KRWDZBQOSA-N 2 2 392.478 3.967 20 0 GHADLP CC(C)(C)OC(=O)NCCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000902993669 922694252 /nfs/dbraw/zinc/69/42/52/922694252.db2.gz VLDITXQQRLRDET-MSOLQXFVSA-N 2 2 384.524 3.903 20 0 GHADLP C[NH+]1CCN(CCCC[NH2+][C@@H](c2ccccc2F)c2ccc(F)cc2F)CC1 ZINC000903066124 922741435 /nfs/dbraw/zinc/74/14/35/922741435.db2.gz KPMWMRPWKMINHL-QFIPXVFZSA-N 2 2 391.481 3.811 20 0 GHADLP Fc1ccccc1[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CCOCC1 ZINC000903075276 922750425 /nfs/dbraw/zinc/75/04/25/922750425.db2.gz ZXOLPUGPVAPVNY-XMMPIXPASA-N 2 2 398.522 3.915 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3sccc3Br)CC2)CC1 ZINC000677739117 924474743 /nfs/dbraw/zinc/47/47/43/924474743.db2.gz YCGRDLGFRLFMSO-UHFFFAOYSA-N 2 2 386.403 3.501 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000677750337 924477846 /nfs/dbraw/zinc/47/78/46/924477846.db2.gz BNPGUENHQWUORN-PKTZIBPZSA-N 2 2 391.559 3.678 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC000677750337 924477854 /nfs/dbraw/zinc/47/78/54/924477854.db2.gz BNPGUENHQWUORN-PKTZIBPZSA-N 2 2 391.559 3.678 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1 ZINC000678807378 924931893 /nfs/dbraw/zinc/93/18/93/924931893.db2.gz NGAMDFBZVVZQHL-JLTOFOAXSA-N 2 2 399.491 3.889 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CC(c4[nH+]cn5cc(-c6ccoc6)ccc45)C3)cc2)nn1 ZINC001137365651 925037619 /nfs/dbraw/zinc/03/76/19/925037619.db2.gz MNAVYEJLOABHPB-UHFFFAOYSA-N 2 2 396.454 3.774 20 0 GHADLP CCCc1occc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000409852522 925068134 /nfs/dbraw/zinc/06/81/34/925068134.db2.gz HLVYBLYYNOAVKW-WOJBJXKFSA-N 2 2 375.557 3.641 20 0 GHADLP CCCc1occc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000409852522 925068143 /nfs/dbraw/zinc/06/81/43/925068143.db2.gz HLVYBLYYNOAVKW-WOJBJXKFSA-N 2 2 375.557 3.641 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1c[nH]c3ncccc13)C2 ZINC001137400914 925387796 /nfs/dbraw/zinc/38/77/96/925387796.db2.gz KTEGVSXXGPVZNP-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1c[nH]c3ncccc13)C2 ZINC001137400914 925387804 /nfs/dbraw/zinc/38/78/04/925387804.db2.gz KTEGVSXXGPVZNP-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1c[nH]c3ncccc13)C2 ZINC001137400914 925387813 /nfs/dbraw/zinc/38/78/13/925387813.db2.gz KTEGVSXXGPVZNP-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1c[nH]c3ncccc13)C2 ZINC001137400914 925387823 /nfs/dbraw/zinc/38/78/23/925387823.db2.gz KTEGVSXXGPVZNP-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP Cc1cccn2cc(CCNC(=O)NC(C)(C)CC[NH+]3CCCCCC3)[nH+]c12 ZINC000681524481 925845395 /nfs/dbraw/zinc/84/53/95/925845395.db2.gz RLUWCWNLBXFSJW-UHFFFAOYSA-N 2 2 385.556 3.529 20 0 GHADLP Cn1cc[nH+]c1C[C@@H](NC(=O)Nc1ccccc1CC[NH+](C)C)c1ccccc1 ZINC000682107127 926013892 /nfs/dbraw/zinc/01/38/92/926013892.db2.gz LVKQTXSRNFPBFO-OAQYLSRUSA-N 2 2 391.519 3.630 20 0 GHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411216362 926215876 /nfs/dbraw/zinc/21/58/76/926215876.db2.gz FGKUSWKPEYWFCM-UHFFFAOYSA-N 2 2 388.515 3.847 20 0 GHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000373530608 926223996 /nfs/dbraw/zinc/22/39/96/926223996.db2.gz PWKZXHDDLIAUSH-STJZUHDESA-N 2 2 393.457 3.723 20 0 GHADLP O=C1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1c1cccc(Cl)c1 ZINC000749882313 927327962 /nfs/dbraw/zinc/32/79/62/927327962.db2.gz JWPPEGWRDMGHPI-HXUWFJFHSA-N 2 2 375.944 3.832 20 0 GHADLP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000544021466 928697733 /nfs/dbraw/zinc/69/77/33/928697733.db2.gz TUWAEODNPLLMSQ-UHFFFAOYSA-N 2 2 397.567 3.737 20 0 GHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000544021466 928697740 /nfs/dbraw/zinc/69/77/40/928697740.db2.gz TUWAEODNPLLMSQ-UHFFFAOYSA-N 2 2 397.567 3.737 20 0 GHADLP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000467180950 928795184 /nfs/dbraw/zinc/79/51/84/928795184.db2.gz LJFJNAXDLKQOPM-UHFFFAOYSA-N 2 2 395.975 3.718 20 0 GHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCC[NH+]3CCCC[C@@H]3C)c2C1 ZINC000544734730 929513692 /nfs/dbraw/zinc/51/36/92/929513692.db2.gz BABUOKLJLHZGMG-SFHVURJKSA-N 2 2 394.563 3.607 20 0 GHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCC[NH+]3CCCC[C@@H]3C)c2C1 ZINC000544734730 929513700 /nfs/dbraw/zinc/51/37/00/929513700.db2.gz BABUOKLJLHZGMG-SFHVURJKSA-N 2 2 394.563 3.607 20 0 GHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c2C1 ZINC000544734730 929513710 /nfs/dbraw/zinc/51/37/10/929513710.db2.gz BABUOKLJLHZGMG-SFHVURJKSA-N 2 2 394.563 3.607 20 0 GHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)c2C1 ZINC000544734730 929513724 /nfs/dbraw/zinc/51/37/24/929513724.db2.gz BABUOKLJLHZGMG-SFHVURJKSA-N 2 2 394.563 3.607 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3(C[NH+](C)C)CCCC3)n2)C1 ZINC000546125435 929878377 /nfs/dbraw/zinc/87/83/77/929878377.db2.gz GHADQYDUVLVDQH-INIZCTEOSA-N 2 2 393.601 3.619 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3(C[NH+](C)C)CCCC3)n2)C1 ZINC000546125435 929878383 /nfs/dbraw/zinc/87/83/83/929878383.db2.gz GHADQYDUVLVDQH-INIZCTEOSA-N 2 2 393.601 3.619 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CCC2 ZINC000546268348 930006997 /nfs/dbraw/zinc/00/69/97/930006997.db2.gz WTGMKHSYFXPKRM-BVYCBKJFSA-N 2 2 382.552 3.550 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CCC2 ZINC000546268348 930006998 /nfs/dbraw/zinc/00/69/98/930006998.db2.gz WTGMKHSYFXPKRM-BVYCBKJFSA-N 2 2 382.552 3.550 20 0 GHADLP C[NH+](C)CCOc1ccc(-c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)cc1 ZINC000546287780 930022360 /nfs/dbraw/zinc/02/23/60/930022360.db2.gz NZFKKKIQDRCLPJ-UHFFFAOYSA-N 2 2 389.459 3.589 20 0 GHADLP C[NH+](C)CCOc1ccccc1-c1noc(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000546397496 930124456 /nfs/dbraw/zinc/12/44/56/930124456.db2.gz HCKKWBIKQUKORK-UHFFFAOYSA-N 2 2 389.459 3.589 20 0 GHADLP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000469764601 930146241 /nfs/dbraw/zinc/14/62/41/930146241.db2.gz OUVPYWLITNVIFZ-YWZLYKJASA-N 2 2 380.879 3.982 20 0 GHADLP C[C@H]1CC[N@H+](Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C[C@H]1n1cc[nH+]c1 ZINC000759158483 930293584 /nfs/dbraw/zinc/29/35/84/930293584.db2.gz LQOPTAUXKVEGEX-HRAATJIYSA-N 2 2 397.482 3.985 20 0 GHADLP C[C@H]1CC[N@@H+](Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C[C@H]1n1cc[nH+]c1 ZINC000759158483 930293591 /nfs/dbraw/zinc/29/35/91/930293591.db2.gz LQOPTAUXKVEGEX-HRAATJIYSA-N 2 2 397.482 3.985 20 0 GHADLP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000546660174 930335464 /nfs/dbraw/zinc/33/54/64/930335464.db2.gz VVXCPTLCUWOFGA-ROUUACIJSA-N 2 2 393.531 3.780 20 0 GHADLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccnn1-c1ccccc1 ZINC000547396588 930979647 /nfs/dbraw/zinc/97/96/47/930979647.db2.gz ZVVXLZYNOOSYLO-NFBKMPQASA-N 2 2 389.547 3.512 20 0 GHADLP COc1ccc([C@@H](CNc2cc[nH+]cc2Br)[NH+]2CCCC2)cc1 ZINC000547501406 931074365 /nfs/dbraw/zinc/07/43/65/931074365.db2.gz LABGMDIVFLVKNF-GOSISDBHSA-N 2 2 376.298 3.524 20 0 GHADLP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2c(F)cccc2F)CC1)CC1CC1 ZINC000557187974 931258035 /nfs/dbraw/zinc/25/80/35/931258035.db2.gz ZUBFEWYRCWFDKF-UHFFFAOYSA-N 2 2 379.495 3.737 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2c(F)cccc2F)CC1)CC1CC1 ZINC000557187974 931258045 /nfs/dbraw/zinc/25/80/45/931258045.db2.gz ZUBFEWYRCWFDKF-UHFFFAOYSA-N 2 2 379.495 3.737 20 0 GHADLP CCOCOc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000782964841 931377137 /nfs/dbraw/zinc/37/71/37/931377137.db2.gz NBCBTRNTXKMTRF-UHFFFAOYSA-N 2 2 384.524 3.597 20 0 GHADLP COC[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(Cl)c1F ZINC000558266697 931911900 /nfs/dbraw/zinc/91/19/00/931911900.db2.gz BQQHFFUJEJXNED-CRAIPNDOSA-N 2 2 392.906 3.814 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(Br)n1 ZINC000925936264 931967016 /nfs/dbraw/zinc/96/70/16/931967016.db2.gz LIQZYTCPWZZLGJ-UKRRQHHQSA-N 2 2 390.329 3.553 20 0 GHADLP CC(C)COC(=O)N1CCC([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000796779535 932063685 /nfs/dbraw/zinc/06/36/85/932063685.db2.gz FDAKSGINTXWOLC-FQEVSTJZSA-N 2 2 384.524 3.551 20 0 GHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(-n2cnnc2)c1 ZINC000926330480 932137810 /nfs/dbraw/zinc/13/78/10/932137810.db2.gz MXEZEFUQAKXKQM-STJZUHDESA-N 2 2 393.457 3.723 20 0 GHADLP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000559245229 932546445 /nfs/dbraw/zinc/54/64/45/932546445.db2.gz VVQMTJMEMQTLQI-KNQAVFIVSA-N 2 2 388.552 3.511 20 0 GHADLP C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000559320139 932597682 /nfs/dbraw/zinc/59/76/82/932597682.db2.gz JBDKAXWORIJYOX-HTAPYJJXSA-N 2 2 392.478 3.853 20 0 GHADLP Cc1cc(C)c(NC(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)[nH+]1 ZINC000560429730 933255439 /nfs/dbraw/zinc/25/54/39/933255439.db2.gz BIKHHLGZNJTECL-QZTJIDSGSA-N 2 2 388.556 3.750 20 0 GHADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cscc2Br)c2ccccc2)CC1 ZINC000560495526 933291352 /nfs/dbraw/zinc/29/13/52/933291352.db2.gz MHQVIZPVADSCOX-GOSISDBHSA-N 2 2 394.382 3.589 20 0 GHADLP CC(C)c1ccc(C2(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CCC2)cc1 ZINC001116047682 933305194 /nfs/dbraw/zinc/30/51/94/933305194.db2.gz UFTZXVGWGIRYAX-NRFANRHFSA-N 2 2 383.580 3.516 20 0 GHADLP CC(C)c1ccc(C2(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CCC2)cc1 ZINC001116047682 933305204 /nfs/dbraw/zinc/30/52/04/933305204.db2.gz UFTZXVGWGIRYAX-NRFANRHFSA-N 2 2 383.580 3.516 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)c1OC ZINC000560536621 933323693 /nfs/dbraw/zinc/32/36/93/933323693.db2.gz OOKDWDQDXIWUME-PZJWPPBQSA-N 2 2 398.547 3.954 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)c1OC ZINC000560536621 933323704 /nfs/dbraw/zinc/32/37/04/933323704.db2.gz OOKDWDQDXIWUME-PZJWPPBQSA-N 2 2 398.547 3.954 20 0 GHADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000560548404 933333004 /nfs/dbraw/zinc/33/30/04/933333004.db2.gz HLZTYNQLUHIWLK-MBSDFSHPSA-N 2 2 375.520 3.829 20 0 GHADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000560548404 933333015 /nfs/dbraw/zinc/33/30/15/933333015.db2.gz HLZTYNQLUHIWLK-MBSDFSHPSA-N 2 2 375.520 3.829 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc(Cl)cc(Cl)c1 ZINC000560585465 933362490 /nfs/dbraw/zinc/36/24/90/933362490.db2.gz UBTMPCSPVOUYGW-UBBHGXQRSA-N 2 2 384.351 3.728 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc(Cl)cc(Cl)c1 ZINC000560585465 933362503 /nfs/dbraw/zinc/36/25/03/933362503.db2.gz UBTMPCSPVOUYGW-UBBHGXQRSA-N 2 2 384.351 3.728 20 0 GHADLP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCSc4c(F)cccc43)c2)CC1 ZINC001116289753 933460361 /nfs/dbraw/zinc/46/03/61/933460361.db2.gz VINOZWQCRIDHCP-OAQYLSRUSA-N 2 2 385.552 3.900 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1CC[C@H](c2ccccc2)C1=O ZINC001116488889 933587629 /nfs/dbraw/zinc/58/76/29/933587629.db2.gz HNXTTYDAVHBEQS-JOCHJYFZSA-N 2 2 392.547 3.594 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1CC[C@H](c2ccccc2)C1=O ZINC001116488889 933587638 /nfs/dbraw/zinc/58/76/38/933587638.db2.gz HNXTTYDAVHBEQS-JOCHJYFZSA-N 2 2 392.547 3.594 20 0 GHADLP [NH3+]C[C@H]([NH2+]CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1)C1CCCCC1 ZINC001117985248 934071294 /nfs/dbraw/zinc/07/12/94/934071294.db2.gz HSVHWENBZKROLJ-INIZCTEOSA-N 2 2 391.865 3.733 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001118213169 934110377 /nfs/dbraw/zinc/11/03/77/934110377.db2.gz FKGOFVWXOYPNDU-INIZCTEOSA-N 2 2 399.495 3.551 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCCCN(C)C(=O)OC(C)(C)C ZINC001119627314 934375398 /nfs/dbraw/zinc/37/53/98/934375398.db2.gz MZQKRDKKMYXPQV-UHFFFAOYSA-N 2 2 387.484 3.551 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N[C@H](C)c3cccs3)C2)s1 ZINC000561944818 934576538 /nfs/dbraw/zinc/57/65/38/934576538.db2.gz DNKDXCUGAAQPKF-SJORKVTESA-N 2 2 391.606 3.749 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N[C@H](C)c3cccs3)C2)s1 ZINC000561944818 934576542 /nfs/dbraw/zinc/57/65/42/934576542.db2.gz DNKDXCUGAAQPKF-SJORKVTESA-N 2 2 391.606 3.749 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N[C@H](C)c3cccs3)C2)s1 ZINC000561944818 934576547 /nfs/dbraw/zinc/57/65/47/934576547.db2.gz DNKDXCUGAAQPKF-SJORKVTESA-N 2 2 391.606 3.749 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N[C@H](C)c3cccs3)C2)s1 ZINC000561944818 934576551 /nfs/dbraw/zinc/57/65/51/934576551.db2.gz DNKDXCUGAAQPKF-SJORKVTESA-N 2 2 391.606 3.749 20 0 GHADLP CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001121706081 934743839 /nfs/dbraw/zinc/74/38/39/934743839.db2.gz CNYXBXNLUCONID-TZIWHRDSSA-N 2 2 396.583 3.556 20 0 GHADLP CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001121706081 934743842 /nfs/dbraw/zinc/74/38/42/934743842.db2.gz CNYXBXNLUCONID-TZIWHRDSSA-N 2 2 396.583 3.556 20 0 GHADLP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000829588377 935831593 /nfs/dbraw/zinc/83/15/93/935831593.db2.gz HXYLWLKVLGXFPA-OAQYLSRUSA-N 2 2 382.552 3.758 20 0 GHADLP COc1ccc(F)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001137995244 935915219 /nfs/dbraw/zinc/91/52/19/935915219.db2.gz YJBAPOHJZGODCM-JWNTYJGQSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001137995244 935915222 /nfs/dbraw/zinc/91/52/22/935915222.db2.gz YJBAPOHJZGODCM-JWNTYJGQSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001137995244 935915224 /nfs/dbraw/zinc/91/52/24/935915224.db2.gz YJBAPOHJZGODCM-JWNTYJGQSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001137995244 935915226 /nfs/dbraw/zinc/91/52/26/935915226.db2.gz YJBAPOHJZGODCM-JWNTYJGQSA-N 2 2 383.511 3.962 20 0 GHADLP CC[NH+](CC)CCC[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC001461002131 1069328551 /nfs/dbraw/zinc/32/85/51/1069328551.db2.gz RFWLSIJNXUGYDJ-UHFFFAOYSA-N 2 2 379.346 3.765 20 0 GHADLP CC(C)C[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468020361 1015152402 /nfs/dbraw/zinc/15/24/02/1015152402.db2.gz WWFOQBRKPRXTEP-FPOVZHCZSA-N 2 2 397.567 3.995 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C)c2Br)[C@@H](C)C1 ZINC000468789919 1016033064 /nfs/dbraw/zinc/03/30/64/1016033064.db2.gz CRKLPMQQAKYNGK-WMZOPIPTSA-N 2 2 383.374 3.984 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C)c2Br)[C@@H](C)C1 ZINC000468789919 1016033074 /nfs/dbraw/zinc/03/30/74/1016033074.db2.gz CRKLPMQQAKYNGK-WMZOPIPTSA-N 2 2 383.374 3.984 20 0 GHADLP CC(C)[N@@H+]1CCCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000469031316 1016354628 /nfs/dbraw/zinc/35/46/28/1016354628.db2.gz PQMQXSJGAWWOAT-UHFFFAOYSA-N 2 2 379.548 3.632 20 0 GHADLP CC(C)[N@H+]1CCCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000469031316 1016354631 /nfs/dbraw/zinc/35/46/31/1016354631.db2.gz PQMQXSJGAWWOAT-UHFFFAOYSA-N 2 2 379.548 3.632 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000470517808 1016807508 /nfs/dbraw/zinc/80/75/08/1016807508.db2.gz ZLBYWJMWKUESMF-FQEVSTJZSA-N 2 2 388.515 3.917 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000470517808 1016807517 /nfs/dbraw/zinc/80/75/17/1016807517.db2.gz ZLBYWJMWKUESMF-FQEVSTJZSA-N 2 2 388.515 3.917 20 0 GHADLP c1cn(-c2cccc(-c3noc([C@H]4CCC[N@@H+](Cc5cccnc5)C4)n3)c2)c[nH+]1 ZINC000547108334 1016816792 /nfs/dbraw/zinc/81/67/92/1016816792.db2.gz AZYNIYZCADLFSI-IBGZPJMESA-N 2 2 386.459 3.697 20 0 GHADLP c1cn(-c2cccc(-c3noc([C@H]4CCC[N@H+](Cc5cccnc5)C4)n3)c2)c[nH+]1 ZINC000547108334 1016816812 /nfs/dbraw/zinc/81/68/12/1016816812.db2.gz AZYNIYZCADLFSI-IBGZPJMESA-N 2 2 386.459 3.697 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cccc(-n2cnnc2)c1 ZINC000925148992 1017043553 /nfs/dbraw/zinc/04/35/53/1017043553.db2.gz NHNILRDTOJUZQF-SFHVURJKSA-N 2 2 390.535 3.653 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CCOCC1)c1ccccc1 ZINC000925512434 1017098495 /nfs/dbraw/zinc/09/84/95/1017098495.db2.gz CNFALIZYACVRPO-NFBKMPQASA-N 3 2 381.564 3.956 20 0 GHADLP COc1cccc(OC)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001204252318 1032694983 /nfs/dbraw/zinc/69/49/83/1032694983.db2.gz XSVINKQPJHIWMH-CZTZKLFOSA-N 2 2 395.547 3.831 20 0 GHADLP COc1cccc(OC)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001204252318 1032694992 /nfs/dbraw/zinc/69/49/92/1032694992.db2.gz XSVINKQPJHIWMH-CZTZKLFOSA-N 2 2 395.547 3.831 20 0 GHADLP COc1cccc(OC)c1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001204252318 1032694997 /nfs/dbraw/zinc/69/49/97/1032694997.db2.gz XSVINKQPJHIWMH-CZTZKLFOSA-N 2 2 395.547 3.831 20 0 GHADLP COc1cccc(OC)c1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001204252318 1032695010 /nfs/dbraw/zinc/69/50/10/1032695010.db2.gz XSVINKQPJHIWMH-CZTZKLFOSA-N 2 2 395.547 3.831 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc2cc(Cl)ccc2o1 ZINC000560582683 1017668913 /nfs/dbraw/zinc/66/89/13/1017668913.db2.gz VSBQTLRXSXTOFN-DXJOGWAWSA-N 2 2 389.927 3.820 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc2cc(Cl)ccc2o1 ZINC000560582683 1017668917 /nfs/dbraw/zinc/66/89/17/1017668917.db2.gz VSBQTLRXSXTOFN-DXJOGWAWSA-N 2 2 389.927 3.820 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N[C@@H](C)c3cccs3)C2)s1 ZINC000561944811 1017988326 /nfs/dbraw/zinc/98/83/26/1017988326.db2.gz DNKDXCUGAAQPKF-DLBZAZTESA-N 2 2 391.606 3.749 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N[C@@H](C)c3cccs3)C2)s1 ZINC000561944811 1017988328 /nfs/dbraw/zinc/98/83/28/1017988328.db2.gz DNKDXCUGAAQPKF-DLBZAZTESA-N 2 2 391.606 3.749 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@@H](C)c3cccs3)C2)s1 ZINC000561944811 1017988330 /nfs/dbraw/zinc/98/83/30/1017988330.db2.gz DNKDXCUGAAQPKF-DLBZAZTESA-N 2 2 391.606 3.749 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@@H](C)c3cccs3)C2)s1 ZINC000561944811 1017988338 /nfs/dbraw/zinc/98/83/38/1017988338.db2.gz DNKDXCUGAAQPKF-DLBZAZTESA-N 2 2 391.606 3.749 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2cn(C)c4ccccc24)CC3)n1 ZINC001204312050 1032754694 /nfs/dbraw/zinc/75/46/94/1032754694.db2.gz CJENAVKIHRJYQT-UHFFFAOYSA-N 2 2 377.536 3.542 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2cn(C)c4ccccc24)CC3)n1 ZINC001204312050 1032754699 /nfs/dbraw/zinc/75/46/99/1032754699.db2.gz CJENAVKIHRJYQT-UHFFFAOYSA-N 2 2 377.536 3.542 20 0 GHADLP c1cc(C[NH+]2CCCCC2)cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000564192406 1019025008 /nfs/dbraw/zinc/02/50/08/1019025008.db2.gz FDUJDGXWVIMSQI-VQTJNVASSA-N 2 2 382.508 3.648 20 0 GHADLP c1cc(C[NH+]2CCCCC2)cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000564192406 1019025018 /nfs/dbraw/zinc/02/50/18/1019025018.db2.gz FDUJDGXWVIMSQI-VQTJNVASSA-N 2 2 382.508 3.648 20 0 GHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000568433649 1019406492 /nfs/dbraw/zinc/40/64/92/1019406492.db2.gz UNPWWVPGEKFZIC-PZJWPPBQSA-N 2 2 395.551 3.668 20 0 GHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000568433649 1019406494 /nfs/dbraw/zinc/40/64/94/1019406494.db2.gz UNPWWVPGEKFZIC-PZJWPPBQSA-N 2 2 395.551 3.668 20 0 GHADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(NCCn3cc[nH+]c3C)c2c1C ZINC001156010718 1032839537 /nfs/dbraw/zinc/83/95/37/1032839537.db2.gz PKHKMCQEWSPGEK-UHFFFAOYSA-N 2 2 384.553 3.911 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(CC[NH+](C)C)cc2)c(C)c1 ZINC000570410354 1019598933 /nfs/dbraw/zinc/59/89/33/1019598933.db2.gz VWRZBNFPRDPFHJ-QHCPKHFHSA-N 2 2 390.531 3.775 20 0 GHADLP CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000574628292 1019895037 /nfs/dbraw/zinc/89/50/37/1019895037.db2.gz MJNSUOMTAQSDLF-KRWDZBQOSA-N 2 2 396.535 3.825 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)Cc1ccccc1C(F)(F)F ZINC000577365397 1020177278 /nfs/dbraw/zinc/17/72/78/1020177278.db2.gz UCZRBRQKCUXWQN-IBGZPJMESA-N 2 2 389.421 3.643 20 0 GHADLP C[NH+](C)C1(CNc2ncnc3scc(-c4ccccc4)c32)CC[NH+](C)CC1 ZINC001156181904 1032914942 /nfs/dbraw/zinc/91/49/42/1032914942.db2.gz HUZDJDXSTSKOMK-UHFFFAOYSA-N 2 2 381.549 3.796 20 0 GHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3c(O)ccc(Cl)c3F)c2)CCO1 ZINC000190868846 1020735758 /nfs/dbraw/zinc/73/57/58/1020735758.db2.gz HSVXLJLUZYQLRN-AWEZNQCLSA-N 2 2 378.875 3.695 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3c(O)ccc(Cl)c3F)c2)CCO1 ZINC000190868846 1020735765 /nfs/dbraw/zinc/73/57/65/1020735765.db2.gz HSVXLJLUZYQLRN-AWEZNQCLSA-N 2 2 378.875 3.695 20 0 GHADLP c1ccc(CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccn2)cc1 ZINC000631584088 1020892378 /nfs/dbraw/zinc/89/23/78/1020892378.db2.gz WRLJPEYECJNHPU-UPVQGACJSA-N 2 2 379.548 3.989 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834502061 1021227694 /nfs/dbraw/zinc/22/76/94/1021227694.db2.gz MPHDPWRFUBNUNK-XLIONFOSSA-N 2 2 384.524 3.809 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(O)cc(Cl)c1 ZINC001204601605 1032989763 /nfs/dbraw/zinc/98/97/63/1032989763.db2.gz HMDPELOUQAFHIB-UHFFFAOYSA-N 3 2 379.976 3.674 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(O)cc(Cl)c1 ZINC001204601605 1032989768 /nfs/dbraw/zinc/98/97/68/1032989768.db2.gz HMDPELOUQAFHIB-UHFFFAOYSA-N 3 2 379.976 3.674 20 0 GHADLP Cc1ccc(C[C@H](CO)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1C ZINC000834913978 1021677876 /nfs/dbraw/zinc/67/78/76/1021677876.db2.gz JTMYSZJSNSSXCA-JOCHJYFZSA-N 2 2 381.564 3.531 20 0 GHADLP Fc1cc(Cl)cc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001140538721 1021935528 /nfs/dbraw/zinc/93/55/28/1021935528.db2.gz UOWJCPMDKNGZND-UHFFFAOYSA-N 2 2 376.907 3.720 20 0 GHADLP Fc1cc(Cl)cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001140538721 1021935530 /nfs/dbraw/zinc/93/55/30/1021935530.db2.gz UOWJCPMDKNGZND-UHFFFAOYSA-N 2 2 376.907 3.720 20 0 GHADLP O=C(O[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835288812 1022007251 /nfs/dbraw/zinc/00/72/51/1022007251.db2.gz CCILOEDKXXRWTF-JOCHJYFZSA-N 2 2 375.472 3.753 20 0 GHADLP O=C(O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835288812 1022007261 /nfs/dbraw/zinc/00/72/61/1022007261.db2.gz CCILOEDKXXRWTF-JOCHJYFZSA-N 2 2 375.472 3.753 20 0 GHADLP Oc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001140788363 1022531241 /nfs/dbraw/zinc/53/12/41/1022531241.db2.gz GAAHJZCVONPFHD-UHFFFAOYSA-N 2 2 392.952 3.974 20 0 GHADLP Oc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001140788363 1022531257 /nfs/dbraw/zinc/53/12/57/1022531257.db2.gz GAAHJZCVONPFHD-UHFFFAOYSA-N 2 2 392.952 3.974 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)C1 ZINC001204817814 1033105112 /nfs/dbraw/zinc/10/51/12/1033105112.db2.gz NPTSJCQBTGSKFF-KRWDZBQOSA-N 2 2 396.478 3.528 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)C1 ZINC001204817814 1033105120 /nfs/dbraw/zinc/10/51/20/1033105120.db2.gz NPTSJCQBTGSKFF-KRWDZBQOSA-N 2 2 396.478 3.528 20 0 GHADLP C[C@H](c1ccccc1)n1cnn(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755773920 1023371994 /nfs/dbraw/zinc/37/19/94/1023371994.db2.gz CUMGCLWVHBIGHN-XLIONFOSSA-N 2 2 385.581 3.645 20 0 GHADLP C[C@H](c1ccccc1)n1cnn(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755773920 1023372003 /nfs/dbraw/zinc/37/20/03/1023372003.db2.gz CUMGCLWVHBIGHN-XLIONFOSSA-N 2 2 385.581 3.645 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@H+](Cn3nc(Cc4cccc(F)c4)oc3=S)C2)CC1 ZINC000755782152 1023376400 /nfs/dbraw/zinc/37/64/00/1023376400.db2.gz YCTCHTPPJVPCDU-KRWDZBQOSA-N 2 2 390.528 3.557 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3nc(Cc4cccc(F)c4)oc3=S)C2)CC1 ZINC000755782152 1023376412 /nfs/dbraw/zinc/37/64/12/1023376412.db2.gz YCTCHTPPJVPCDU-KRWDZBQOSA-N 2 2 390.528 3.557 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000245898160 1033127395 /nfs/dbraw/zinc/12/73/95/1033127395.db2.gz PORYGOQJMWRQTA-OALUTQOASA-N 2 2 390.531 3.705 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000245898160 1033127404 /nfs/dbraw/zinc/12/74/04/1033127404.db2.gz PORYGOQJMWRQTA-OALUTQOASA-N 2 2 390.531 3.705 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](Cc1ccc(O)c3ccccc13)CC2 ZINC001138056688 1023960453 /nfs/dbraw/zinc/96/04/53/1023960453.db2.gz WAHAYOKWBWTOSP-UHFFFAOYSA-N 2 2 378.520 3.943 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](Cc1ccc(O)c3ccccc13)CC2 ZINC001138056688 1023960459 /nfs/dbraw/zinc/96/04/59/1023960459.db2.gz WAHAYOKWBWTOSP-UHFFFAOYSA-N 2 2 378.520 3.943 20 0 GHADLP O=C1N(c2cccc(F)c2)CC12CC[NH+](Cc1cccc(-n3cc[nH+]c3)c1)CC2 ZINC001141242377 1024246193 /nfs/dbraw/zinc/24/61/93/1024246193.db2.gz SWVGAFIDOZIDOZ-UHFFFAOYSA-N 2 2 390.462 3.640 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cc1Br ZINC001138292305 1024567695 /nfs/dbraw/zinc/56/76/95/1024567695.db2.gz NUAFPVUPEIHGDB-UHFFFAOYSA-N 2 2 390.325 3.900 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831509425 1024607296 /nfs/dbraw/zinc/60/72/96/1024607296.db2.gz DGJUPBKJJVSMHB-RBUKOAKNSA-N 2 2 375.875 3.503 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831509425 1024607303 /nfs/dbraw/zinc/60/73/03/1024607303.db2.gz DGJUPBKJJVSMHB-RBUKOAKNSA-N 2 2 375.875 3.503 20 0 GHADLP COc1ccc2[nH]cc(C[NH+]3CCC4(CCC[N@@H+]4Cc4cnn(C)c4)CC3)c2c1 ZINC001138504964 1024940272 /nfs/dbraw/zinc/94/02/72/1024940272.db2.gz OAVKMEDZAHJQJV-UHFFFAOYSA-N 2 2 393.535 3.541 20 0 GHADLP COc1ccc2[nH]cc(C[NH+]3CCC4(CCC[N@H+]4Cc4cnn(C)c4)CC3)c2c1 ZINC001138504964 1024940274 /nfs/dbraw/zinc/94/02/74/1024940274.db2.gz OAVKMEDZAHJQJV-UHFFFAOYSA-N 2 2 393.535 3.541 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2ccccc2N2CCCC2)CC3)n1 ZINC001138612241 1025103039 /nfs/dbraw/zinc/10/30/39/1025103039.db2.gz LYXQOQKEWSDWDE-UHFFFAOYSA-N 2 2 393.579 3.651 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2ccccc2N2CCCC2)CC3)n1 ZINC001138612241 1025103049 /nfs/dbraw/zinc/10/30/49/1025103049.db2.gz LYXQOQKEWSDWDE-UHFFFAOYSA-N 2 2 393.579 3.651 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCc3ccc(Br)cc3C2)cc1 ZINC001138772439 1025342113 /nfs/dbraw/zinc/34/21/13/1025342113.db2.gz NCZHFYPMGSJJSW-UHFFFAOYSA-N 2 2 389.337 3.948 20 0 GHADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCc3ccc(Br)cc3C2)cc1 ZINC001138772439 1025342114 /nfs/dbraw/zinc/34/21/14/1025342114.db2.gz NCZHFYPMGSJJSW-UHFFFAOYSA-N 2 2 389.337 3.948 20 0 GHADLP CCN(CC)c1ncc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)s1 ZINC001138800404 1025386125 /nfs/dbraw/zinc/38/61/25/1025386125.db2.gz DVAADMMZFSDGKP-HZPDHXFCSA-N 2 2 376.595 3.615 20 0 GHADLP C[NH+]1CCN(c2ccc([NH2+]CCCc3cncc(C(F)(F)F)c3)cc2)CC1 ZINC001162044046 1025559303 /nfs/dbraw/zinc/55/93/03/1025559303.db2.gz IZUHBVIHLNNUHB-UHFFFAOYSA-N 2 2 378.442 3.897 20 0 GHADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)C[C@@H](C)O1 ZINC001461014250 1069336397 /nfs/dbraw/zinc/33/63/97/1069336397.db2.gz SCFYCRUBJFQRKR-RTBURBONSA-N 2 2 386.511 3.994 20 0 GHADLP CCCc1cc(N(Cc2cccc(C(=O)OC)c2)[C@H]2CC[C@H]([NH3+])CC2)nc(C)[nH+]1 ZINC001162192802 1025659598 /nfs/dbraw/zinc/65/95/98/1025659598.db2.gz VFYCUCHXZMEDIJ-XUTJKUGGSA-N 2 2 396.535 3.801 20 0 GHADLP c1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@@H](C4CCOCC4)C3)CC2)cc1 ZINC001461035960 1069350055 /nfs/dbraw/zinc/35/00/55/1069350055.db2.gz RFGAOGIQHUNPNR-PKTZIBPZSA-N 2 2 385.596 3.774 20 0 GHADLP Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001139062980 1025858036 /nfs/dbraw/zinc/85/80/36/1025858036.db2.gz ZNUPZIPWUZLQRK-HSZRJFAPSA-N 2 2 380.532 3.871 20 0 GHADLP Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001139062980 1025858059 /nfs/dbraw/zinc/85/80/59/1025858059.db2.gz ZNUPZIPWUZLQRK-HSZRJFAPSA-N 2 2 380.532 3.871 20 0 GHADLP CCc1cc(-n2c3ccccc3c(CC[NH3+])c2CC(=O)OC(C)(C)C)nc(C)[nH+]1 ZINC001162680695 1025869443 /nfs/dbraw/zinc/86/94/43/1025869443.db2.gz VLWKQDZVMNLHTM-UHFFFAOYSA-N 2 2 394.519 3.677 20 0 GHADLP O[C@H](C[C@@H]1COCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccco1 ZINC000839507092 1025993737 /nfs/dbraw/zinc/99/37/37/1025993737.db2.gz FAHAVCWHQLLLJC-FGZHOGPDSA-N 2 2 384.520 3.590 20 0 GHADLP O[C@H](C[C@@H]1COCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccco1 ZINC000839507092 1025993743 /nfs/dbraw/zinc/99/37/43/1025993743.db2.gz FAHAVCWHQLLLJC-FGZHOGPDSA-N 2 2 384.520 3.590 20 0 GHADLP Cc1cccc2[nH]cc(C[NH+]3CCC4(CCC[N@H+]4Cc4cnn(C)c4)CC3)c21 ZINC001139195021 1026033940 /nfs/dbraw/zinc/03/39/40/1026033940.db2.gz GVQUEVIJLHAUPE-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP Cc1cccc2[nH]cc(C[NH+]3CCC4(CCC[N@@H+]4Cc4cnn(C)c4)CC3)c21 ZINC001139195021 1026033960 /nfs/dbraw/zinc/03/39/60/1026033960.db2.gz GVQUEVIJLHAUPE-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c2cc(Br)ccc21 ZINC001139219034 1026072800 /nfs/dbraw/zinc/07/28/00/1026072800.db2.gz PKPVJNPPZDAMAE-QGZVFWFLSA-N 2 2 386.293 3.989 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c2cc(Br)ccc21 ZINC001139219034 1026072818 /nfs/dbraw/zinc/07/28/18/1026072818.db2.gz PKPVJNPPZDAMAE-QGZVFWFLSA-N 2 2 386.293 3.989 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)Cc2ccc(-n3cncn3)cc2)CC1 ZINC001139335720 1026196197 /nfs/dbraw/zinc/19/61/97/1026196197.db2.gz OVPSIQYYVNXYHH-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)Cc2ccc(-n3cncn3)cc2)CC1 ZINC001139335720 1026196203 /nfs/dbraw/zinc/19/62/03/1026196203.db2.gz OVPSIQYYVNXYHH-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C3)CC2=O)cc1 ZINC001139359706 1026232799 /nfs/dbraw/zinc/23/27/99/1026232799.db2.gz IKEVREHRTRHLES-DEOSSOPVSA-N 2 2 386.499 3.810 20 0 GHADLP Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C3)CC2=O)cc1 ZINC001139359706 1026232815 /nfs/dbraw/zinc/23/28/15/1026232815.db2.gz IKEVREHRTRHLES-DEOSSOPVSA-N 2 2 386.499 3.810 20 0 GHADLP Brc1c[nH+]c2ccccc2c1NCc1cccnc1C1CC[NH2+]CC1 ZINC001163911647 1026359976 /nfs/dbraw/zinc/35/99/76/1026359976.db2.gz KIAVGUQMQOVYPD-UHFFFAOYSA-N 2 2 397.320 3.893 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(N[C@@H]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]34)c2)C1 ZINC001164499951 1026536570 /nfs/dbraw/zinc/53/65/70/1026536570.db2.gz WCUDIYFXKQXFSL-WMMXXEOUSA-N 3 2 390.575 3.542 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(N[C@@H]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]34)c2)C1 ZINC001164499951 1026536575 /nfs/dbraw/zinc/53/65/75/1026536575.db2.gz WCUDIYFXKQXFSL-WMMXXEOUSA-N 3 2 390.575 3.542 20 0 GHADLP [NH3+][C@@H]1CC[NH+](Cc2cccc(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)c2)C1 ZINC001164499951 1026536582 /nfs/dbraw/zinc/53/65/82/1026536582.db2.gz WCUDIYFXKQXFSL-WMMXXEOUSA-N 3 2 390.575 3.542 20 0 GHADLP [NH3+][C@@H]1CC[NH+](Cc2cccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)c2)C1 ZINC001164499951 1026536586 /nfs/dbraw/zinc/53/65/86/1026536586.db2.gz WCUDIYFXKQXFSL-WMMXXEOUSA-N 3 2 390.575 3.542 20 0 GHADLP Cn1c(=O)cc(C[NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)c2ccccc21 ZINC001139762068 1026598573 /nfs/dbraw/zinc/59/85/73/1026598573.db2.gz VAMAYYOPHWPWDJ-UHFFFAOYSA-N 2 2 393.506 3.774 20 0 GHADLP Cn1c(=O)cc(C[NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)c2ccccc21 ZINC001139762068 1026598584 /nfs/dbraw/zinc/59/85/84/1026598584.db2.gz VAMAYYOPHWPWDJ-UHFFFAOYSA-N 2 2 393.506 3.774 20 0 GHADLP Fc1ccccc1[C@@H]1CC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001139763720 1026601557 /nfs/dbraw/zinc/60/15/57/1026601557.db2.gz UASSQCDRUAMCKF-HXUWFJFHSA-N 2 2 384.495 3.526 20 0 GHADLP Fc1ccccc1[C@@H]1CC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001139763720 1026601561 /nfs/dbraw/zinc/60/15/61/1026601561.db2.gz UASSQCDRUAMCKF-HXUWFJFHSA-N 2 2 384.495 3.526 20 0 GHADLP F[C@@H]1CCC2(C1)CC[NH+](Cc1cccc(OCC[NH+]3CCOCC3)c1)CC2 ZINC001139763776 1026602771 /nfs/dbraw/zinc/60/27/71/1026602771.db2.gz CWUUBADAOCJATN-HXUWFJFHSA-N 2 2 376.516 3.502 20 0 GHADLP Cc1[nH+]c2c(n1-c1nnc(-c3ccc(F)c(F)c3)c3ccccc31)CC[NH2+]CC2 ZINC001165355755 1026712128 /nfs/dbraw/zinc/71/21/28/1026712128.db2.gz XCQXUCUWJPBFQU-UHFFFAOYSA-N 2 2 391.425 3.757 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001140020971 1026805838 /nfs/dbraw/zinc/80/58/38/1026805838.db2.gz FZUVXJUWVMCTCQ-RTBURBONSA-N 2 2 382.508 3.622 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001140020971 1026805847 /nfs/dbraw/zinc/80/58/47/1026805847.db2.gz FZUVXJUWVMCTCQ-RTBURBONSA-N 2 2 382.508 3.622 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001140027699 1026817554 /nfs/dbraw/zinc/81/75/54/1026817554.db2.gz VVVWRVQNTLKCFS-UHFFFAOYSA-N 2 2 383.883 3.668 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001140030186 1026819892 /nfs/dbraw/zinc/81/98/92/1026819892.db2.gz XRXODUMSLLVZBM-DFQSSKMNSA-N 2 2 396.535 3.916 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001140030186 1026819899 /nfs/dbraw/zinc/81/98/99/1026819899.db2.gz XRXODUMSLLVZBM-DFQSSKMNSA-N 2 2 396.535 3.916 20 0 GHADLP Cc1cc2c(nc[nH+]c2N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)[nH]1 ZINC001166572139 1027030151 /nfs/dbraw/zinc/03/01/51/1027030151.db2.gz NPBAPGQNJYEPON-UHFFFAOYSA-N 2 2 378.867 3.795 20 0 GHADLP Cc1ccccc1C(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001461223892 1069450355 /nfs/dbraw/zinc/45/03/55/1069450355.db2.gz QTKKYSQLVMCTCN-QHCPKHFHSA-N 2 2 391.559 3.854 20 0 GHADLP Cc1ccccc1C(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001461223892 1069450356 /nfs/dbraw/zinc/45/03/56/1069450356.db2.gz QTKKYSQLVMCTCN-QHCPKHFHSA-N 2 2 391.559 3.854 20 0 GHADLP COc1ccc(OC)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001203526016 1027407132 /nfs/dbraw/zinc/40/71/32/1027407132.db2.gz ULSUSXUMPCZMQH-NMNUPHIUSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(OC)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001203526016 1027407140 /nfs/dbraw/zinc/40/71/40/1027407140.db2.gz ULSUSXUMPCZMQH-NMNUPHIUSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(OC)c(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001203526016 1027407149 /nfs/dbraw/zinc/40/71/49/1027407149.db2.gz ULSUSXUMPCZMQH-NMNUPHIUSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(OC)c(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001203526016 1027407158 /nfs/dbraw/zinc/40/71/58/1027407158.db2.gz ULSUSXUMPCZMQH-NMNUPHIUSA-N 2 2 395.547 3.831 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210269617 1027416872 /nfs/dbraw/zinc/41/68/72/1027416872.db2.gz YQTCQPCKIVBDAU-UHFFFAOYSA-N 3 2 376.508 3.603 20 0 GHADLP CC[NH2+]Cc1cccc(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000841310155 1028403514 /nfs/dbraw/zinc/40/35/14/1028403514.db2.gz HDOWVUMUNXGIGK-UHFFFAOYSA-N 2 2 395.551 3.653 20 0 GHADLP CC[NH+](CC(=O)NCc1cccc(C[N@@H+](C)CC)c1)Cc1ccccc1Cl ZINC001142243949 1028456744 /nfs/dbraw/zinc/45/67/44/1028456744.db2.gz HAYSWUNNKIFTOH-UHFFFAOYSA-N 2 2 387.955 3.930 20 0 GHADLP CC[NH+](CC(=O)NCc1cccc(C[N@H+](C)CC)c1)Cc1ccccc1Cl ZINC001142243949 1028456757 /nfs/dbraw/zinc/45/67/57/1028456757.db2.gz HAYSWUNNKIFTOH-UHFFFAOYSA-N 2 2 387.955 3.930 20 0 GHADLP CC[NH+](C)Cc1cccc(CNC(=O)C[N@H+](CC)Cc2ccccc2Cl)c1 ZINC001142243949 1028456763 /nfs/dbraw/zinc/45/67/63/1028456763.db2.gz HAYSWUNNKIFTOH-UHFFFAOYSA-N 2 2 387.955 3.930 20 0 GHADLP CC[NH+](C)Cc1cccc(CNC(=O)C[N@@H+](CC)Cc2ccccc2Cl)c1 ZINC001142243949 1028456769 /nfs/dbraw/zinc/45/67/69/1028456769.db2.gz HAYSWUNNKIFTOH-UHFFFAOYSA-N 2 2 387.955 3.930 20 0 GHADLP CC(C)[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1F ZINC001461429002 1069545207 /nfs/dbraw/zinc/54/52/07/1069545207.db2.gz WPVZGFCLHZQOTN-IBGZPJMESA-N 2 2 391.922 3.508 20 0 GHADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC000842672866 1029478168 /nfs/dbraw/zinc/47/81/68/1029478168.db2.gz FGQAWQKJAJVBKW-LBPRGKRZSA-N 2 2 377.273 3.870 20 0 GHADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC000842672866 1029478178 /nfs/dbraw/zinc/47/81/78/1029478178.db2.gz FGQAWQKJAJVBKW-LBPRGKRZSA-N 2 2 377.273 3.870 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)s1 ZINC000842784592 1029587453 /nfs/dbraw/zinc/58/74/53/1029587453.db2.gz NVNDOCNOLPOREZ-MRXNPFEDSA-N 2 2 394.585 3.617 20 0 GHADLP Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000843048234 1029786751 /nfs/dbraw/zinc/78/67/51/1029786751.db2.gz DBBUXJIKJQBKKZ-LBPRGKRZSA-N 2 2 387.742 3.981 20 0 GHADLP Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000843048234 1029786758 /nfs/dbraw/zinc/78/67/58/1029786758.db2.gz DBBUXJIKJQBKKZ-LBPRGKRZSA-N 2 2 387.742 3.981 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4c(cn3)OCCO4)C[C@@H]21 ZINC001143059129 1029818231 /nfs/dbraw/zinc/81/82/31/1029818231.db2.gz ZATUJWBJIQZXIQ-FFZOFVMBSA-N 2 2 399.560 3.647 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4c(cn3)OCCO4)C[C@@H]21 ZINC001143059129 1029818237 /nfs/dbraw/zinc/81/82/37/1029818237.db2.gz ZATUJWBJIQZXIQ-FFZOFVMBSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4c(cn3)OCCO4)C[C@@H]21 ZINC001143059129 1029818244 /nfs/dbraw/zinc/81/82/44/1029818244.db2.gz ZATUJWBJIQZXIQ-FFZOFVMBSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c(cn3)OCCO4)C[C@@H]21 ZINC001143059129 1029818255 /nfs/dbraw/zinc/81/82/55/1029818255.db2.gz ZATUJWBJIQZXIQ-FFZOFVMBSA-N 2 2 399.560 3.647 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)C1 ZINC001143243906 1029943780 /nfs/dbraw/zinc/94/37/80/1029943780.db2.gz JDMBIQKVSCXODL-SFHVURJKSA-N 2 2 380.479 3.864 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)C1 ZINC001143243906 1029943783 /nfs/dbraw/zinc/94/37/83/1029943783.db2.gz JDMBIQKVSCXODL-SFHVURJKSA-N 2 2 380.479 3.864 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC000186045067 1029959156 /nfs/dbraw/zinc/95/91/56/1029959156.db2.gz UNVLEPCJSIJPAN-YSIASYRMSA-N 2 2 382.508 3.607 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC000186045067 1029959162 /nfs/dbraw/zinc/95/91/62/1029959162.db2.gz UNVLEPCJSIJPAN-YSIASYRMSA-N 2 2 382.508 3.607 20 0 GHADLP FC(F)(F)c1ccc(Cl)c(Cl)c1C[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC001222208835 1030005917 /nfs/dbraw/zinc/00/59/17/1030005917.db2.gz SCEYSQUSCJNPPM-UHFFFAOYSA-N 2 2 383.241 3.967 20 0 GHADLP COc1cc(Br)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1OC ZINC001222309681 1030063489 /nfs/dbraw/zinc/06/34/89/1030063489.db2.gz PNTHNUIHPSIENS-GOSISDBHSA-N 2 2 383.330 3.574 20 0 GHADLP COc1cc(Br)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1OC ZINC001222309681 1030063506 /nfs/dbraw/zinc/06/35/06/1030063506.db2.gz PNTHNUIHPSIENS-GOSISDBHSA-N 2 2 383.330 3.574 20 0 GHADLP FC(F)(F)c1cccc(-c2ccc(C[N@@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)s2)c1 ZINC001222511027 1030174964 /nfs/dbraw/zinc/17/49/64/1030174964.db2.gz KSCANJSNZQLDJK-ROUUACIJSA-N 2 2 395.494 3.960 20 0 GHADLP FC(F)(F)c1cccc(-c2ccc(C[N@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)s2)c1 ZINC001222511027 1030174967 /nfs/dbraw/zinc/17/49/67/1030174967.db2.gz KSCANJSNZQLDJK-ROUUACIJSA-N 2 2 395.494 3.960 20 0 GHADLP c1c(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)nc2ccccn12 ZINC001222573484 1030203142 /nfs/dbraw/zinc/20/31/42/1030203142.db2.gz AIKQXOKSNBRCSX-JOCHJYFZSA-N 2 2 390.531 3.638 20 0 GHADLP c1c(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)nc2ccccn12 ZINC001222573484 1030203160 /nfs/dbraw/zinc/20/31/60/1030203160.db2.gz AIKQXOKSNBRCSX-JOCHJYFZSA-N 2 2 390.531 3.638 20 0 GHADLP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@@H+]2Cc2[nH]nc3ccccc32)cc1 ZINC001222576081 1030208413 /nfs/dbraw/zinc/20/84/13/1030208413.db2.gz PWHMNHIPYLZTQP-HXUWFJFHSA-N 2 2 390.531 3.866 20 0 GHADLP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2[nH]nc3ccccc32)cc1 ZINC001222576081 1030208428 /nfs/dbraw/zinc/20/84/28/1030208428.db2.gz PWHMNHIPYLZTQP-HXUWFJFHSA-N 2 2 390.531 3.866 20 0 GHADLP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@@H+]2Cc2n[nH]c3ccccc32)cc1 ZINC001222576081 1030208444 /nfs/dbraw/zinc/20/84/44/1030208444.db2.gz PWHMNHIPYLZTQP-HXUWFJFHSA-N 2 2 390.531 3.866 20 0 GHADLP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2n[nH]c3ccccc32)cc1 ZINC001222576081 1030208456 /nfs/dbraw/zinc/20/84/56/1030208456.db2.gz PWHMNHIPYLZTQP-HXUWFJFHSA-N 2 2 390.531 3.866 20 0 GHADLP CCOc1ncccc1C[N@@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222589898 1030213521 /nfs/dbraw/zinc/21/35/21/1030213521.db2.gz BVDRIXCKJWLDRB-QFIPXVFZSA-N 2 2 395.547 3.784 20 0 GHADLP CCOc1ncccc1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222589898 1030213539 /nfs/dbraw/zinc/21/35/39/1030213539.db2.gz BVDRIXCKJWLDRB-QFIPXVFZSA-N 2 2 395.547 3.784 20 0 GHADLP Fc1cc(-c2noc(-c3cccn4c[nH+]cc34)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001217341636 1030322755 /nfs/dbraw/zinc/32/27/55/1030322755.db2.gz NADFXDCSEWWTOU-GOSISDBHSA-N 2 2 386.390 3.923 20 0 GHADLP Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH+]ccc3Nc3ccccc3)C2)c1 ZINC001149850233 1030325794 /nfs/dbraw/zinc/32/57/94/1030325794.db2.gz ZTHZYPPCKMMEHH-NRFANRHFSA-N 2 2 386.499 3.560 20 0 GHADLP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3c[nH+]ccc3Nc3ccccc3)C2)c1 ZINC001149850233 1030325815 /nfs/dbraw/zinc/32/58/15/1030325815.db2.gz ZTHZYPPCKMMEHH-NRFANRHFSA-N 2 2 386.499 3.560 20 0 GHADLP Cc1cc(CNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc(C)[nH+]1 ZINC001223547461 1030630381 /nfs/dbraw/zinc/63/03/81/1030630381.db2.gz PJKSVBJJONHBIW-HXUWFJFHSA-N 2 2 386.927 3.988 20 0 GHADLP [NH3+]C1CC[NH+](Cc2ccccc2O[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)CC1 ZINC001218410720 1030927724 /nfs/dbraw/zinc/92/77/24/1030927724.db2.gz LDGPTMOKXRVNHD-OAQYLSRUSA-N 3 2 399.966 3.916 20 0 GHADLP [NH3+]C1CC[NH+](Cc2ccccc2O[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC001218410720 1030927728 /nfs/dbraw/zinc/92/77/28/1030927728.db2.gz LDGPTMOKXRVNHD-OAQYLSRUSA-N 3 2 399.966 3.916 20 0 GHADLP Cc1sc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)c(C(=O)c2ccccc2)c1C ZINC001218586642 1030996318 /nfs/dbraw/zinc/99/63/18/1030996318.db2.gz CIPIJZKLACGSPX-SFHVURJKSA-N 2 2 393.512 3.807 20 0 GHADLP O=C(c1c[nH+]ccc1Nc1ccccc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001151902793 1031046176 /nfs/dbraw/zinc/04/61/76/1031046176.db2.gz FPGOVCCGLNBIFV-UHFFFAOYSA-N 2 2 392.547 3.975 20 0 GHADLP COc1cc2c(cc1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)oc1ccccc12 ZINC001218962872 1031180856 /nfs/dbraw/zinc/18/08/56/1031180856.db2.gz IKPDEGYUQXCPGT-KRWDZBQOSA-N 2 2 375.428 3.805 20 0 GHADLP Fc1ccccc1C[N@@H+]1CCC[C@H](OC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC001224960729 1031193896 /nfs/dbraw/zinc/19/38/96/1031193896.db2.gz GIFVKDHDXCCZMR-XZOQPEGZSA-N 2 2 398.522 3.708 20 0 GHADLP Fc1ccccc1C[N@H+]1CCC[C@H](OC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC001224960729 1031193906 /nfs/dbraw/zinc/19/39/06/1031193906.db2.gz GIFVKDHDXCCZMR-XZOQPEGZSA-N 2 2 398.522 3.708 20 0 GHADLP Fc1ccccc1C[NH+]1CCC[C@H](OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001224960729 1031193915 /nfs/dbraw/zinc/19/39/15/1031193915.db2.gz GIFVKDHDXCCZMR-XZOQPEGZSA-N 2 2 398.522 3.708 20 0 GHADLP Fc1ccccc1C[NH+]1CCC[C@H](OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001224960729 1031193927 /nfs/dbraw/zinc/19/39/27/1031193927.db2.gz GIFVKDHDXCCZMR-XZOQPEGZSA-N 2 2 398.522 3.708 20 0 GHADLP CC(C)[C@@]1(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)CCC[NH2+]C1 ZINC001220531853 1031979794 /nfs/dbraw/zinc/97/97/94/1031979794.db2.gz ATBFATTWGVNYQU-PKOBYXMFSA-N 2 2 386.367 3.738 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCCCC2)C[C@H]1C[NH3+] ZINC001205303549 1033349752 /nfs/dbraw/zinc/34/97/52/1033349752.db2.gz HUUGGBKRNJVFGW-NVXWUHKLSA-N 2 2 380.374 3.856 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2N2CCCCC2)C[C@H]1C[NH3+] ZINC001205303549 1033349771 /nfs/dbraw/zinc/34/97/71/1033349771.db2.gz HUUGGBKRNJVFGW-NVXWUHKLSA-N 2 2 380.374 3.856 20 0 GHADLP C[C@]1(C[NH3+])CCC[N@H+](Cc2sc(Br)nc2Br)CC1 ZINC001206311267 1033790520 /nfs/dbraw/zinc/79/05/20/1033790520.db2.gz LNPZNUZOJNKQGO-LBPRGKRZSA-N 2 2 397.180 3.619 20 0 GHADLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2sc(Br)nc2Br)CC1 ZINC001206311267 1033790534 /nfs/dbraw/zinc/79/05/34/1033790534.db2.gz LNPZNUZOJNKQGO-LBPRGKRZSA-N 2 2 397.180 3.619 20 0 GHADLP COc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(Br)c1OC ZINC001206599915 1033920402 /nfs/dbraw/zinc/92/04/02/1033920402.db2.gz YYUCLONWNLAHLB-OAHLLOKOSA-N 2 2 385.346 3.819 20 0 GHADLP COc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(Br)c1OC ZINC001206599915 1033920413 /nfs/dbraw/zinc/92/04/13/1033920413.db2.gz YYUCLONWNLAHLB-OAHLLOKOSA-N 2 2 385.346 3.819 20 0 GHADLP CCCN(CCC)c1cc(N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)nc[nH+]1 ZINC001158166678 1033947636 /nfs/dbraw/zinc/94/76/36/1033947636.db2.gz GXYMCBAZVCCBFY-MXVIHJGJSA-N 2 2 382.556 3.775 20 0 GHADLP CCCN(CCC)c1cc(N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)[nH+]cn1 ZINC001158166678 1033947639 /nfs/dbraw/zinc/94/76/39/1033947639.db2.gz GXYMCBAZVCCBFY-MXVIHJGJSA-N 2 2 382.556 3.775 20 0 GHADLP Fc1cc(C[NH+]2CCOCC2)ccc1-c1ccc(OCC[NH+]2CCCCC2)nc1 ZINC001206740118 1033965100 /nfs/dbraw/zinc/96/51/00/1033965100.db2.gz QMZOGZVIWNLHGY-UHFFFAOYSA-N 2 2 399.510 3.585 20 0 GHADLP O=C(OCc1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001207185566 1034154596 /nfs/dbraw/zinc/15/45/96/1034154596.db2.gz PEFNAMACLNGPEI-IRLDBZIGSA-N 2 2 385.552 3.784 20 0 GHADLP O=C(OCc1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001207185566 1034154606 /nfs/dbraw/zinc/15/46/06/1034154606.db2.gz PEFNAMACLNGPEI-IRLDBZIGSA-N 2 2 385.552 3.784 20 0 GHADLP C[C@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)Cc2nnc(C(F)(F)F)n21 ZINC001207295006 1034249389 /nfs/dbraw/zinc/24/93/89/1034249389.db2.gz ZEPAYXUWFMIBDW-HNNXBMFYSA-N 2 2 393.457 3.586 20 0 GHADLP C[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)Cc2nnc(C(F)(F)F)n21 ZINC001207295006 1034249405 /nfs/dbraw/zinc/24/94/05/1034249405.db2.gz ZEPAYXUWFMIBDW-HNNXBMFYSA-N 2 2 393.457 3.586 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001207365658 1034308622 /nfs/dbraw/zinc/30/86/22/1034308622.db2.gz CIDFKOQFLGNZIA-KSZLIROESA-N 2 2 391.581 3.511 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001207365658 1034308642 /nfs/dbraw/zinc/30/86/42/1034308642.db2.gz CIDFKOQFLGNZIA-KSZLIROESA-N 2 2 391.581 3.511 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001207365658 1034308657 /nfs/dbraw/zinc/30/86/57/1034308657.db2.gz CIDFKOQFLGNZIA-KSZLIROESA-N 2 2 391.581 3.511 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001207365658 1034308681 /nfs/dbraw/zinc/30/86/81/1034308681.db2.gz CIDFKOQFLGNZIA-KSZLIROESA-N 2 2 391.581 3.511 20 0 GHADLP CCO[C@H]1C[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)C12CCCC2 ZINC001207502476 1034406932 /nfs/dbraw/zinc/40/69/32/1034406932.db2.gz UYMULYHSEVDYKQ-VXKWHMMOSA-N 2 2 386.580 3.995 20 0 GHADLP CCO[C@H]1C[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)C12CCCC2 ZINC001207502476 1034406942 /nfs/dbraw/zinc/40/69/42/1034406942.db2.gz UYMULYHSEVDYKQ-VXKWHMMOSA-N 2 2 386.580 3.995 20 0 GHADLP CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC001159118559 1034432842 /nfs/dbraw/zinc/43/28/42/1034432842.db2.gz AJMYDWFJMKRURM-NRFANRHFSA-N 2 2 378.520 3.847 20 0 GHADLP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC001159118559 1034432844 /nfs/dbraw/zinc/43/28/44/1034432844.db2.gz AJMYDWFJMKRURM-NRFANRHFSA-N 2 2 378.520 3.847 20 0 GHADLP C[NH+]1CCN(C2CC[NH+](C3CC[NH+](CCCC4CCCCC4)CC3)CC2)CC1 ZINC001207608854 1034484611 /nfs/dbraw/zinc/48/46/11/1034484611.db2.gz XYXHAMAJTFHGRX-UHFFFAOYSA-N 3 2 390.660 3.523 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](CCCCc4ccccc4)CC[C@@H]3C2)cs1 ZINC001207612099 1034488433 /nfs/dbraw/zinc/48/84/33/1034488433.db2.gz UJLMYNYLMSOQAS-FYYLOGMGSA-N 2 2 399.604 3.997 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](CCCCc4ccccc4)CC[C@@H]3C2)cs1 ZINC001207612099 1034488439 /nfs/dbraw/zinc/48/84/39/1034488439.db2.gz UJLMYNYLMSOQAS-FYYLOGMGSA-N 2 2 399.604 3.997 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](CCCCc4ccccc4)CC[C@@H]3C2)cs1 ZINC001207612099 1034488451 /nfs/dbraw/zinc/48/84/51/1034488451.db2.gz UJLMYNYLMSOQAS-FYYLOGMGSA-N 2 2 399.604 3.997 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](CCCCc4ccccc4)CC[C@@H]3C2)cs1 ZINC001207612099 1034488461 /nfs/dbraw/zinc/48/84/61/1034488461.db2.gz UJLMYNYLMSOQAS-FYYLOGMGSA-N 2 2 399.604 3.997 20 0 GHADLP Oc1cccc(-c2ccc([C@H]3C[C@@H]3Nc3ccc(N4CC[NH2+]CC4)c[nH+]3)cc2)c1 ZINC001159216284 1034490948 /nfs/dbraw/zinc/49/09/48/1034490948.db2.gz MZQZWPJBDKLWAD-PKTZIBPZSA-N 2 2 386.499 3.832 20 0 GHADLP Cc1cc(Nc2cc[nH+]c3cc(Br)ccc23)cnc1N1CC[NH2+]CC1 ZINC001159289623 1034526124 /nfs/dbraw/zinc/52/61/24/1034526124.db2.gz GDPZQZWVCSKMOM-UHFFFAOYSA-N 2 2 398.308 3.854 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](C[C@H](C)c4ccccc4)CC[C@@H]3C2)cs1 ZINC001207906656 1034649244 /nfs/dbraw/zinc/64/92/44/1034649244.db2.gz PUGXOMDWHWUULP-UCNVEGJOSA-N 2 2 385.577 3.778 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](C[C@H](C)c4ccccc4)CC[C@@H]3C2)cs1 ZINC001207906656 1034649251 /nfs/dbraw/zinc/64/92/51/1034649251.db2.gz PUGXOMDWHWUULP-UCNVEGJOSA-N 2 2 385.577 3.778 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](C[C@H](C)c4ccccc4)CC[C@@H]3C2)cs1 ZINC001207906656 1034649257 /nfs/dbraw/zinc/64/92/57/1034649257.db2.gz PUGXOMDWHWUULP-UCNVEGJOSA-N 2 2 385.577 3.778 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](C[C@H](C)c4ccccc4)CC[C@@H]3C2)cs1 ZINC001207906656 1034649262 /nfs/dbraw/zinc/64/92/62/1034649262.db2.gz PUGXOMDWHWUULP-UCNVEGJOSA-N 2 2 385.577 3.778 20 0 GHADLP Cc1nc(-n2cncn2)cc(N[C@@H]2CC[C@H](C[C@@H]3CC[C@H]([NH3+])[C@@H](C)C3)C[C@H]2C)[nH+]1 ZINC001159885999 1034774725 /nfs/dbraw/zinc/77/47/25/1034774725.db2.gz CZFNTGYNTYXKKE-QTQWFBPBSA-N 2 2 397.571 3.736 20 0 GHADLP COc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1OC(C)=O ZINC001231705139 1034850224 /nfs/dbraw/zinc/85/02/24/1034850224.db2.gz IFNGFXWRBBXRNU-UHFFFAOYSA-N 2 2 382.504 3.717 20 0 GHADLP COc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1OC(C)=O ZINC001231705139 1034850236 /nfs/dbraw/zinc/85/02/36/1034850236.db2.gz IFNGFXWRBBXRNU-UHFFFAOYSA-N 2 2 382.504 3.717 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC(C)=O ZINC001231708331 1034851711 /nfs/dbraw/zinc/85/17/11/1034851711.db2.gz TXIHRVDBJMDRHX-XMMPIXPASA-N 2 2 394.515 3.719 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC(C)=O ZINC001231708331 1034851720 /nfs/dbraw/zinc/85/17/20/1034851720.db2.gz TXIHRVDBJMDRHX-XMMPIXPASA-N 2 2 394.515 3.719 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC(C)=O ZINC001231708331 1034851731 /nfs/dbraw/zinc/85/17/31/1034851731.db2.gz TXIHRVDBJMDRHX-XMMPIXPASA-N 2 2 394.515 3.719 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OC(C)=O ZINC001231708331 1034851733 /nfs/dbraw/zinc/85/17/33/1034851733.db2.gz TXIHRVDBJMDRHX-XMMPIXPASA-N 2 2 394.515 3.719 20 0 GHADLP Fc1cccc(Nc2ccccc2C[NH+]2CCOCC2)c1OCC1CC[NH2+]CC1 ZINC001160195225 1034898044 /nfs/dbraw/zinc/89/80/44/1034898044.db2.gz OJNQUPPONWPDTP-UHFFFAOYSA-N 2 2 399.510 3.780 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1Nc1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC001160265203 1034922996 /nfs/dbraw/zinc/92/29/96/1034922996.db2.gz LQRNCPJVLNBUSU-FQEVSTJZSA-N 2 2 395.547 3.813 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1ccccc1-c1ccc(F)cc1)CC2 ZINC001231823473 1034930013 /nfs/dbraw/zinc/93/00/13/1034930013.db2.gz QXGACNGWYUNRNF-UHFFFAOYSA-N 2 2 395.522 3.669 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1ccccc1-c1ccc(F)cc1)CC2 ZINC001231823473 1034930017 /nfs/dbraw/zinc/93/00/17/1034930017.db2.gz QXGACNGWYUNRNF-UHFFFAOYSA-N 2 2 395.522 3.669 20 0 GHADLP Cc1cc(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)cc(C)n1 ZINC001231998807 1035033588 /nfs/dbraw/zinc/03/35/88/1035033588.db2.gz HGWGBONMOWZGOH-UHFFFAOYSA-N 2 2 376.504 3.877 20 0 GHADLP Cc1cc(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)cc(C)n1 ZINC001231998807 1035033597 /nfs/dbraw/zinc/03/35/97/1035033597.db2.gz HGWGBONMOWZGOH-UHFFFAOYSA-N 2 2 376.504 3.877 20 0 GHADLP Cc1cc(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cc(C)n1 ZINC001231998807 1035033604 /nfs/dbraw/zinc/03/36/04/1035033604.db2.gz HGWGBONMOWZGOH-UHFFFAOYSA-N 2 2 376.504 3.877 20 0 GHADLP Cc1cc(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cc(C)n1 ZINC001231998807 1035033612 /nfs/dbraw/zinc/03/36/12/1035033612.db2.gz HGWGBONMOWZGOH-UHFFFAOYSA-N 2 2 376.504 3.877 20 0 GHADLP c1csc(C[NH+]2CC[C@H]3C[N@H+](CC4CCN(c5ccccc5)CC4)CC[C@H]32)n1 ZINC001208908828 1035084804 /nfs/dbraw/zinc/08/48/04/1035084804.db2.gz VMXWDXBXKWNJBS-RBBKRZOGSA-N 2 2 396.604 3.956 20 0 GHADLP c1csc(C[NH+]2CC[C@H]3C[N@@H+](CC4CCN(c5ccccc5)CC4)CC[C@H]32)n1 ZINC001208908828 1035084813 /nfs/dbraw/zinc/08/48/13/1035084813.db2.gz VMXWDXBXKWNJBS-RBBKRZOGSA-N 2 2 396.604 3.956 20 0 GHADLP c1csc(C[N@H+]2CC[C@H]3C[NH+](CC4CCN(c5ccccc5)CC4)CC[C@H]32)n1 ZINC001208908828 1035084821 /nfs/dbraw/zinc/08/48/21/1035084821.db2.gz VMXWDXBXKWNJBS-RBBKRZOGSA-N 2 2 396.604 3.956 20 0 GHADLP c1csc(C[N@@H+]2CC[C@H]3C[NH+](CC4CCN(c5ccccc5)CC4)CC[C@H]32)n1 ZINC001208908828 1035084830 /nfs/dbraw/zinc/08/48/30/1035084830.db2.gz VMXWDXBXKWNJBS-RBBKRZOGSA-N 2 2 396.604 3.956 20 0 GHADLP CCCCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001160921892 1035094368 /nfs/dbraw/zinc/09/43/68/1035094368.db2.gz PKFCKADYLZLTKJ-KDOFPFPSSA-N 2 2 396.457 3.558 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4nc5ccccc5o4)CC3)C2)cc1 ZINC001208937006 1035103505 /nfs/dbraw/zinc/10/35/05/1035103505.db2.gz QMQHANGPVHMYIR-NRFANRHFSA-N 2 2 390.531 3.862 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4nc5ccccc5o4)CC3)C2)cc1 ZINC001208937006 1035103512 /nfs/dbraw/zinc/10/35/12/1035103512.db2.gz QMQHANGPVHMYIR-NRFANRHFSA-N 2 2 390.531 3.862 20 0 GHADLP O=C(CNc1[nH+]ccc2cc(Cl)ccc21)N1CC[NH+](C2CCCCC2)CC1 ZINC001161055370 1035127010 /nfs/dbraw/zinc/12/70/10/1035127010.db2.gz RXQCAQPMHSMQMQ-UHFFFAOYSA-N 2 2 386.927 3.777 20 0 GHADLP O=C(CNc1cc(-c2ccccc2)cc[nH+]1)N1CC[NH+](C2CCCCC2)CC1 ZINC001161055047 1035127437 /nfs/dbraw/zinc/12/74/37/1035127437.db2.gz OCXNPFAUQNALHM-UHFFFAOYSA-N 2 2 378.520 3.637 20 0 GHADLP COC(=O)c1cccc(C[NH+]2CCC(Nc3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC001161173283 1035167026 /nfs/dbraw/zinc/16/70/26/1035167026.db2.gz HIJALJAZDSMZAD-UHFFFAOYSA-N 2 2 382.508 3.772 20 0 GHADLP CN(CCC[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001209140952 1035190709 /nfs/dbraw/zinc/19/07/09/1035190709.db2.gz GLGBCPWHYKKHBH-UHFFFAOYSA-N 2 2 393.547 3.979 20 0 GHADLP CN(CCC[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001209140952 1035190712 /nfs/dbraw/zinc/19/07/12/1035190712.db2.gz GLGBCPWHYKKHBH-UHFFFAOYSA-N 2 2 393.547 3.979 20 0 GHADLP Fc1ccc2c(C[NH+]3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)c[nH]c2c1 ZINC001209687510 1035355729 /nfs/dbraw/zinc/35/57/29/1035355729.db2.gz KFAQZMCEJOLQJP-UHFFFAOYSA-N 2 2 380.467 3.573 20 0 GHADLP Fc1cc(OCC[NH+]2CCOCC2)ccc1-c1ccc(C2CC[NH2+]CC2)cc1 ZINC001244137107 1036392438 /nfs/dbraw/zinc/39/24/38/1036392438.db2.gz OGJMTCNODZQWEC-UHFFFAOYSA-N 2 2 384.495 3.671 20 0 GHADLP CCCC[C@H](CC)COC[C@H](O)C[NH2+]C1(c2cccc(F)c2)CC[NH2+]CC1 ZINC001246004404 1037123788 /nfs/dbraw/zinc/12/37/88/1037123788.db2.gz FWPDQPOJIGYNJD-GHTZIAJQSA-N 2 2 380.548 3.588 20 0 GHADLP Brc1ccc(N2CCC([NH2+]CC[NH2+]Cc3ccccc3)CC2)cc1 ZINC001246172670 1037223053 /nfs/dbraw/zinc/22/30/53/1037223053.db2.gz WBGWMVHRBAOZCU-UHFFFAOYSA-N 2 2 388.353 3.797 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001246192006 1037231052 /nfs/dbraw/zinc/23/10/52/1037231052.db2.gz XTCVZSKFUDSQBU-HVHOJJEHSA-N 3 2 377.576 3.992 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246192006 1037231069 /nfs/dbraw/zinc/23/10/69/1037231069.db2.gz XTCVZSKFUDSQBU-HVHOJJEHSA-N 3 2 377.576 3.992 20 0 GHADLP Ic1ccccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246323601 1037294325 /nfs/dbraw/zinc/29/43/25/1037294325.db2.gz JKUKNAWZMTVQAO-AEFFLSMTSA-N 2 2 392.284 3.874 20 0 GHADLP COc1ccccc1CN1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246360819 1037320645 /nfs/dbraw/zinc/32/06/45/1037320645.db2.gz IILIUSYQZSXOGU-GIWBLDEGSA-N 2 2 397.538 3.800 20 0 GHADLP COc1ccccc1C[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246360819 1037320671 /nfs/dbraw/zinc/32/06/71/1037320671.db2.gz IILIUSYQZSXOGU-GIWBLDEGSA-N 2 2 397.538 3.800 20 0 GHADLP COc1ccccc1C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246360819 1037320692 /nfs/dbraw/zinc/32/06/92/1037320692.db2.gz IILIUSYQZSXOGU-GIWBLDEGSA-N 2 2 397.538 3.800 20 0 GHADLP Clc1ccc(CC2([NH2+][C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246391649 1037353062 /nfs/dbraw/zinc/35/30/62/1037353062.db2.gz OCEAFVJXRPIURT-XZOQPEGZSA-N 3 2 397.994 3.958 20 0 GHADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246401933 1037360578 /nfs/dbraw/zinc/36/05/78/1037360578.db2.gz PWGHWKRRWCPXKQ-YWZLYKJASA-N 2 2 392.902 3.851 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]Cc2ccnc(OCC3CCC3)n2)CC[NH2+]1 ZINC001246434041 1037395856 /nfs/dbraw/zinc/39/58/56/1037395856.db2.gz LLAIHEKFABENBF-WIYYLYMNSA-N 2 2 384.499 3.686 20 0 GHADLP CCOc1ccccc1N1CC[NH+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246531186 1037463540 /nfs/dbraw/zinc/46/35/40/1037463540.db2.gz CSWGUFUGPQQWKO-FCHUYYIVSA-N 2 2 379.548 3.571 20 0 GHADLP c1ccc([C@@H]2C[C@H]([NH+]3CCN(c4nsc5ccccc54)CC3)CC[NH2+]2)cc1 ZINC001246682910 1037545371 /nfs/dbraw/zinc/54/53/71/1037545371.db2.gz XHIAIJAFEYMUPS-QUCCMNQESA-N 2 2 378.545 3.912 20 0 GHADLP c1ccc([C@@H]2C[C@H]([N@H+]3CCO[C@@]4(CCCN(c5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246714234 1037567022 /nfs/dbraw/zinc/56/70/22/1037567022.db2.gz JYPGPAIPTFKDJJ-DSNGMDLFSA-N 2 2 391.559 3.851 20 0 GHADLP c1ccc([C@@H]2C[C@H]([N@@H+]3CCO[C@@]4(CCCN(c5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246714234 1037567033 /nfs/dbraw/zinc/56/70/33/1037567033.db2.gz JYPGPAIPTFKDJJ-DSNGMDLFSA-N 2 2 391.559 3.851 20 0 GHADLP c1ccc(C[C@H]2C[C@H]([NH+]3CCN(c4nc5ccccc5s4)CC3)CC[NH2+]2)cc1 ZINC001246775538 1037616447 /nfs/dbraw/zinc/61/64/47/1037616447.db2.gz GKAATWZRLSEKOG-VQTJNVASSA-N 2 2 392.572 3.782 20 0 GHADLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246849528 1037673617 /nfs/dbraw/zinc/67/36/17/1037673617.db2.gz FVFNOOGGNAXSPM-CCDWMCETSA-N 3 2 377.576 3.804 20 0 GHADLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246849528 1037673632 /nfs/dbraw/zinc/67/36/32/1037673632.db2.gz FVFNOOGGNAXSPM-CCDWMCETSA-N 3 2 377.576 3.804 20 0 GHADLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246849528 1037673644 /nfs/dbraw/zinc/67/36/44/1037673644.db2.gz FVFNOOGGNAXSPM-CCDWMCETSA-N 3 2 377.576 3.804 20 0 GHADLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246849528 1037673653 /nfs/dbraw/zinc/67/36/53/1037673653.db2.gz FVFNOOGGNAXSPM-CCDWMCETSA-N 3 2 377.576 3.804 20 0 GHADLP CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC001246891917 1037706495 /nfs/dbraw/zinc/70/64/95/1037706495.db2.gz NYUCFUBONHSVCN-OALUTQOASA-N 2 2 383.502 3.990 20 0 GHADLP c1ccc(C[NH+]2CCN(c3ccc4[nH]c(C[C@@H]5CCCC[NH2+]5)[nH+]c4c3)CC2)cc1 ZINC001247010362 1037836009 /nfs/dbraw/zinc/83/60/09/1037836009.db2.gz IMOKJJNMBAZEFV-FQEVSTJZSA-N 3 2 389.547 3.570 20 0 GHADLP Clc1ccc(-c2noc([C@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)c(Cl)c1 ZINC001247125878 1037936383 /nfs/dbraw/zinc/93/63/83/1037936383.db2.gz JIIWJOFFHOAGQT-CYBMUJFWSA-N 2 2 390.274 3.659 20 0 GHADLP Cc1[nH]c(C[NH+]2CCC3(C[C@@H](CC(=O)NC4CCC4)c4ccccc43)CC2)c[nH+]1 ZINC001232459330 1038245352 /nfs/dbraw/zinc/24/53/52/1038245352.db2.gz CNILSFWOSJQTBG-GOSISDBHSA-N 2 2 392.547 3.798 20 0 GHADLP Cc1[nH]c(C[NH+]2CCC3(C[C@H](CC(=O)NCC4CC4)c4ccccc43)CC2)c[nH+]1 ZINC001232460996 1038247974 /nfs/dbraw/zinc/24/79/74/1038247974.db2.gz XNSDRFXWUBCPEP-IBGZPJMESA-N 2 2 392.547 3.656 20 0 GHADLP CC(C)[N@H+](Cc1ccc(I)c(F)c1)C1CC[NH+](C)CC1 ZINC001232490681 1038266821 /nfs/dbraw/zinc/26/68/21/1038266821.db2.gz MXPGPFFEMBBVML-UHFFFAOYSA-N 2 2 390.284 3.735 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(I)c(F)c1)C1CC[NH+](C)CC1 ZINC001232490681 1038266828 /nfs/dbraw/zinc/26/68/28/1038266828.db2.gz MXPGPFFEMBBVML-UHFFFAOYSA-N 2 2 390.284 3.735 20 0 GHADLP COc1cc(Cl)ccc1C[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001232498574 1038271427 /nfs/dbraw/zinc/27/14/27/1038271427.db2.gz FOWOTQGVQWLQLM-UHFFFAOYSA-N 2 2 387.911 3.615 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3cccc(OCc4ccccc4)c3)no2)cc1 ZINC001247700032 1038339516 /nfs/dbraw/zinc/33/95/16/1038339516.db2.gz KKWPRZZUVYTKBF-NRFANRHFSA-N 2 2 386.455 3.941 20 0 GHADLP Clc1ccc(Br)cc1-c1noc([C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001247861863 1038432456 /nfs/dbraw/zinc/43/24/56/1038432456.db2.gz RXUHZJVGLNXCHB-ZDUSSCGKSA-N 2 2 397.704 3.699 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cncc3cnccc31)C2 ZINC001232650795 1038437829 /nfs/dbraw/zinc/43/78/29/1038437829.db2.gz SMPMBXDTMHZVGQ-UHFFFAOYSA-N 2 2 399.498 3.808 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cncc3cnccc31)C2 ZINC001232650795 1038437837 /nfs/dbraw/zinc/43/78/37/1038437837.db2.gz SMPMBXDTMHZVGQ-UHFFFAOYSA-N 2 2 399.498 3.808 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1cncc3cnccc31)C2 ZINC001232650795 1038437843 /nfs/dbraw/zinc/43/78/43/1038437843.db2.gz SMPMBXDTMHZVGQ-UHFFFAOYSA-N 2 2 399.498 3.808 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1cncc3cnccc31)C2 ZINC001232650795 1038437850 /nfs/dbraw/zinc/43/78/50/1038437850.db2.gz SMPMBXDTMHZVGQ-UHFFFAOYSA-N 2 2 399.498 3.808 20 0 GHADLP C[NH+]1CCC2(C[NH+](Cc3cccc(Br)c3Br)C2)CC1 ZINC001232764519 1038540150 /nfs/dbraw/zinc/54/01/50/1038540150.db2.gz RGLHCAUMQPDWFO-UHFFFAOYSA-N 2 2 388.147 3.739 20 0 GHADLP O[C@]1(C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC[NH+](Cc2ccccc2)C1 ZINC001252932165 1039268602 /nfs/dbraw/zinc/26/86/02/1039268602.db2.gz QAGMQLKHCXQVRQ-NRFANRHFSA-N 2 2 390.449 3.701 20 0 GHADLP O[C@]1(C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC[NH+](Cc2ccccc2)C1 ZINC001252932165 1039268615 /nfs/dbraw/zinc/26/86/15/1039268615.db2.gz QAGMQLKHCXQVRQ-NRFANRHFSA-N 2 2 390.449 3.701 20 0 GHADLP O[C@]1(C[NH+]2CCc3cc(C(F)(F)F)ccc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC001252932165 1039268625 /nfs/dbraw/zinc/26/86/25/1039268625.db2.gz QAGMQLKHCXQVRQ-NRFANRHFSA-N 2 2 390.449 3.701 20 0 GHADLP O[C@]1(C[NH+]2CCc3cc(C(F)(F)F)ccc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252932165 1039268634 /nfs/dbraw/zinc/26/86/34/1039268634.db2.gz QAGMQLKHCXQVRQ-NRFANRHFSA-N 2 2 390.449 3.701 20 0 GHADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC001253377717 1039588102 /nfs/dbraw/zinc/58/81/02/1039588102.db2.gz VINJYPHVWAGFHW-OAQYLSRUSA-N 2 2 378.438 3.700 20 0 GHADLP COc1cc(C[NH+]2CCN(c3ccc(C)c(C)c3)CC2)ccc1-n1cc[nH+]c1 ZINC001234033353 1039776115 /nfs/dbraw/zinc/77/61/15/1039776115.db2.gz RWHDWFGPFAJSDI-UHFFFAOYSA-N 2 2 376.504 3.820 20 0 GHADLP COc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)C1 ZINC001234058341 1039793072 /nfs/dbraw/zinc/79/30/72/1039793072.db2.gz KXWDBOFUDOOWDD-LJQANCHMSA-N 2 2 393.487 3.933 20 0 GHADLP COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)C1 ZINC001234058341 1039793091 /nfs/dbraw/zinc/79/30/91/1039793091.db2.gz KXWDBOFUDOOWDD-LJQANCHMSA-N 2 2 393.487 3.933 20 0 GHADLP COc1cc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)ccc1-n1cc[nH+]c1 ZINC001234076208 1039814960 /nfs/dbraw/zinc/81/49/60/1039814960.db2.gz SBLWZJKAIMYQJO-HDICACEKSA-N 2 2 397.482 3.911 20 0 GHADLP COc1cc(C[N@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)ccc1-n1cc[nH+]c1 ZINC001234076208 1039814966 /nfs/dbraw/zinc/81/49/66/1039814966.db2.gz SBLWZJKAIMYQJO-HDICACEKSA-N 2 2 397.482 3.911 20 0 GHADLP O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC001234398576 1040003790 /nfs/dbraw/zinc/00/37/90/1040003790.db2.gz WIDLRKKLQUMFTJ-OAQYLSRUSA-N 2 2 395.551 3.674 20 0 GHADLP O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC001234398576 1040003803 /nfs/dbraw/zinc/00/38/03/1040003803.db2.gz WIDLRKKLQUMFTJ-OAQYLSRUSA-N 2 2 395.551 3.674 20 0 GHADLP Cc1[nH]c(C[NH+]2CCC3(C[C@H](CC(=O)NC4CC4)c4ccccc43)CC2)c(C)[nH+]1 ZINC001234617835 1040171469 /nfs/dbraw/zinc/17/14/69/1040171469.db2.gz WPSBFTCHEMHART-SFHVURJKSA-N 2 2 392.547 3.716 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[C@@H]([NH2+][C@H]3CC[N@H+](CC4CC4)C3)C2)CC1 ZINC001254739543 1040497086 /nfs/dbraw/zinc/49/70/86/1040497086.db2.gz BTDQEFNHRKWEOH-MOPGFXCFSA-N 2 2 377.573 3.630 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[C@@H]([NH2+][C@H]3CC[N@@H+](CC4CC4)C3)C2)CC1 ZINC001254739543 1040497091 /nfs/dbraw/zinc/49/70/91/1040497091.db2.gz BTDQEFNHRKWEOH-MOPGFXCFSA-N 2 2 377.573 3.630 20 0 GHADLP FC(F)(F)c1ccccc1CC1([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCOCC1 ZINC001254842868 1040587158 /nfs/dbraw/zinc/58/71/58/1040587158.db2.gz BGDVFXPAKCCAGR-GOSISDBHSA-N 2 2 382.470 3.871 20 0 GHADLP FC(F)(F)c1ccc(C2(C[NH2+][C@H]3CC4CC[NH+](CC4)C3)CCOCC2)cc1 ZINC001254843110 1040587688 /nfs/dbraw/zinc/58/76/88/1040587688.db2.gz FRURFQCGLPAXEV-IBGZPJMESA-N 2 2 382.470 3.828 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]C[C@@H]3CCC[N@@H+]3Cc3ccccc3)C[C@@H]2C1 ZINC001254897406 1040651982 /nfs/dbraw/zinc/65/19/82/1040651982.db2.gz GGKDQQLCEVVSGR-LRSLUSHPSA-N 2 2 399.579 3.886 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]C[C@@H]3CCC[N@H+]3Cc3ccccc3)C[C@@H]2C1 ZINC001254897406 1040651991 /nfs/dbraw/zinc/65/19/91/1040651991.db2.gz GGKDQQLCEVVSGR-LRSLUSHPSA-N 2 2 399.579 3.886 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235348190 1040823480 /nfs/dbraw/zinc/82/34/80/1040823480.db2.gz CQXAFYWOUCBRMS-SKBVVQJISA-N 3 2 389.587 3.978 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235348190 1040823487 /nfs/dbraw/zinc/82/34/87/1040823487.db2.gz CQXAFYWOUCBRMS-SKBVVQJISA-N 3 2 389.587 3.978 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235348190 1040823503 /nfs/dbraw/zinc/82/35/03/1040823503.db2.gz CQXAFYWOUCBRMS-SKBVVQJISA-N 3 2 389.587 3.978 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235348190 1040823521 /nfs/dbraw/zinc/82/35/21/1040823521.db2.gz CQXAFYWOUCBRMS-SKBVVQJISA-N 3 2 389.587 3.978 20 0 GHADLP FC(F)(F)Cn1cnc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001255133001 1040831779 /nfs/dbraw/zinc/83/17/79/1040831779.db2.gz OHSTWLJGZCPMBW-LUPIEILUSA-N 2 2 378.442 3.731 20 0 GHADLP FC(F)(F)Cn1cnc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255133001 1040831790 /nfs/dbraw/zinc/83/17/90/1040831790.db2.gz OHSTWLJGZCPMBW-LUPIEILUSA-N 2 2 378.442 3.731 20 0 GHADLP C[N@H+](C1CN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255146075 1040861191 /nfs/dbraw/zinc/86/11/91/1040861191.db2.gz BZUMSEBOYTWWKF-PMOLBWCYSA-N 2 2 385.552 3.733 20 0 GHADLP C[N@@H+](C1CN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255146075 1040861196 /nfs/dbraw/zinc/86/11/96/1040861196.db2.gz BZUMSEBOYTWWKF-PMOLBWCYSA-N 2 2 385.552 3.733 20 0 GHADLP C[NH+](C1CN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255146075 1040861205 /nfs/dbraw/zinc/86/12/05/1040861205.db2.gz BZUMSEBOYTWWKF-PMOLBWCYSA-N 2 2 385.552 3.733 20 0 GHADLP C[NH+](C1CN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255146075 1040861213 /nfs/dbraw/zinc/86/12/13/1040861213.db2.gz BZUMSEBOYTWWKF-PMOLBWCYSA-N 2 2 385.552 3.733 20 0 GHADLP c1ccc([C@@]23CC[NH2+]C[C@@H]2C[N@H+](Cc2ccc(N4CCCCC4)nc2)CC3)cc1 ZINC001235369917 1040872717 /nfs/dbraw/zinc/87/27/17/1040872717.db2.gz NTRJINNUEGDLBX-NOZRDPDXSA-N 2 2 390.575 3.825 20 0 GHADLP c1ccc([C@@]23CC[NH2+]C[C@@H]2C[N@@H+](Cc2ccc(N4CCCCC4)nc2)CC3)cc1 ZINC001235369917 1040872747 /nfs/dbraw/zinc/87/27/47/1040872747.db2.gz NTRJINNUEGDLBX-NOZRDPDXSA-N 2 2 390.575 3.825 20 0 GHADLP Nc1c(Br)cccc1C[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377973 1040893061 /nfs/dbraw/zinc/89/30/61/1040893061.db2.gz YAUWKNXQSCUBRT-XLIONFOSSA-N 2 2 386.337 3.610 20 0 GHADLP Nc1c(Br)cccc1C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377973 1040893077 /nfs/dbraw/zinc/89/30/77/1040893077.db2.gz YAUWKNXQSCUBRT-XLIONFOSSA-N 2 2 386.337 3.610 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC([NH3+])(c3ccccc3Cl)CC1)C2 ZINC001255190902 1040896642 /nfs/dbraw/zinc/89/66/42/1040896642.db2.gz BWHRPHJVDNEUNH-BJWYYQGGSA-N 2 2 391.943 3.742 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(F)c1OC ZINC001235379603 1040900345 /nfs/dbraw/zinc/90/03/45/1040900345.db2.gz HWJCACTXHMGWRI-XXBNENTESA-N 2 2 384.495 3.596 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(F)c1OC ZINC001235379603 1040900361 /nfs/dbraw/zinc/90/03/61/1040900361.db2.gz HWJCACTXHMGWRI-XXBNENTESA-N 2 2 384.495 3.596 20 0 GHADLP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccc(Br)c3cccnc13)C2 ZINC001235405110 1040916894 /nfs/dbraw/zinc/91/68/94/1040916894.db2.gz NTXIPLBAWSJCPG-AEFFLSMTSA-N 2 2 378.289 3.521 20 0 GHADLP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc(Br)c3cccnc13)C2 ZINC001235405110 1040916900 /nfs/dbraw/zinc/91/69/00/1040916900.db2.gz NTXIPLBAWSJCPG-AEFFLSMTSA-N 2 2 378.289 3.521 20 0 GHADLP CCOC(=O)C1CCC([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)CC1 ZINC001255253803 1040928277 /nfs/dbraw/zinc/92/82/77/1040928277.db2.gz WLXIIIOPVILUOW-UHFFFAOYSA-N 2 2 376.516 3.810 20 0 GHADLP Cc1cc(OC(C)C)ncc1C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001235427591 1040928900 /nfs/dbraw/zinc/92/89/00/1040928900.db2.gz WZMBXDHIWDRPJB-UHFFFAOYSA-N 2 2 397.567 3.541 20 0 GHADLP Cc1cc(OC(C)C)ncc1C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001235427591 1040928904 /nfs/dbraw/zinc/92/89/04/1040928904.db2.gz WZMBXDHIWDRPJB-UHFFFAOYSA-N 2 2 397.567 3.541 20 0 GHADLP c1csc(C[N@@H+]2CCOC3(CC[NH+](CCC[NH2+]C4CCCCC4)CC3)C2)c1 ZINC001235499156 1040962699 /nfs/dbraw/zinc/96/26/99/1040962699.db2.gz ZNKRCYYHDZZNNZ-UHFFFAOYSA-N 3 2 391.625 3.727 20 0 GHADLP c1csc(C[N@H+]2CCOC3(CC[NH+](CCC[NH2+]C4CCCCC4)CC3)C2)c1 ZINC001235499156 1040962702 /nfs/dbraw/zinc/96/27/02/1040962702.db2.gz ZNKRCYYHDZZNNZ-UHFFFAOYSA-N 3 2 391.625 3.727 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC001255389288 1040976865 /nfs/dbraw/zinc/97/68/65/1040976865.db2.gz FCVFGRNIAVECMV-RPWUZVMVSA-N 2 2 393.575 3.914 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC001255389288 1040976869 /nfs/dbraw/zinc/97/68/69/1040976869.db2.gz FCVFGRNIAVECMV-RPWUZVMVSA-N 2 2 393.575 3.914 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H](N[C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)cc1 ZINC001255389288 1040976878 /nfs/dbraw/zinc/97/68/78/1040976878.db2.gz FCVFGRNIAVECMV-RPWUZVMVSA-N 2 2 393.575 3.914 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H](N[C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)cc1 ZINC001255389288 1040976882 /nfs/dbraw/zinc/97/68/82/1040976882.db2.gz FCVFGRNIAVECMV-RPWUZVMVSA-N 2 2 393.575 3.914 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]Cc3cc(OC4CCOCC4)ccn3)CC2)cc1 ZINC001255393499 1040981081 /nfs/dbraw/zinc/98/10/81/1040981081.db2.gz ROBYSNNABXNOAL-OAQYLSRUSA-N 2 2 395.547 3.784 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]Cc3cc(OC4CCOCC4)ccn3)CC2)cc1 ZINC001255393499 1040981082 /nfs/dbraw/zinc/98/10/82/1040981082.db2.gz ROBYSNNABXNOAL-OAQYLSRUSA-N 2 2 395.547 3.784 20 0 GHADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001235552701 1040983657 /nfs/dbraw/zinc/98/36/57/1040983657.db2.gz POMFIINKTRQHBA-IFMALSPDSA-N 2 2 385.502 3.794 20 0 GHADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001235552701 1040983666 /nfs/dbraw/zinc/98/36/66/1040983666.db2.gz POMFIINKTRQHBA-IFMALSPDSA-N 2 2 385.502 3.794 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@H](c3nnc([C@H]4CCCN(c5cccc[nH+]5)C4)o3)C2)cc1 ZINC001255414306 1041008214 /nfs/dbraw/zinc/00/82/14/1041008214.db2.gz KYIWFNJUZVKBPE-VQTJNVASSA-N 2 2 389.503 3.838 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@H](c3nnc([C@H]4CCCN(c5cccc[nH+]5)C4)o3)C2)cc1 ZINC001255414306 1041008243 /nfs/dbraw/zinc/00/82/43/1041008243.db2.gz KYIWFNJUZVKBPE-VQTJNVASSA-N 2 2 389.503 3.838 20 0 GHADLP COc1ccc([C@H]([NH3+])[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)c2ccc(OC)cc2)cc1 ZINC001255530004 1041112637 /nfs/dbraw/zinc/11/26/37/1041112637.db2.gz XZGJDBJGEXWSCF-NYVOZVTQSA-N 2 2 384.520 3.992 20 0 GHADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001255595472 1041154703 /nfs/dbraw/zinc/15/47/03/1041154703.db2.gz PBPGUZOMIGNINR-FQEVSTJZSA-N 2 2 391.531 3.698 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)C1 ZINC001255903289 1041386163 /nfs/dbraw/zinc/38/61/63/1041386163.db2.gz HXNOPQKDBNIPKB-INIZCTEOSA-N 2 2 393.959 3.989 20 0 GHADLP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235935749 1041439955 /nfs/dbraw/zinc/43/99/55/1041439955.db2.gz FBCJHTNSGRULTF-QWRGUYRKSA-N 2 2 382.348 3.774 20 0 GHADLP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235935749 1041439963 /nfs/dbraw/zinc/43/99/63/1041439963.db2.gz FBCJHTNSGRULTF-QWRGUYRKSA-N 2 2 382.348 3.774 20 0 GHADLP Cc1nc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(Br)s1 ZINC001235979178 1041484211 /nfs/dbraw/zinc/48/42/11/1041484211.db2.gz VAQIDBSOCNKHAU-UHFFFAOYSA-N 2 2 392.366 3.851 20 0 GHADLP Cc1nc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(Br)s1 ZINC001235979178 1041484217 /nfs/dbraw/zinc/48/42/17/1041484217.db2.gz VAQIDBSOCNKHAU-UHFFFAOYSA-N 2 2 392.366 3.851 20 0 GHADLP Cc1[nH+]cn([C@H]2CCc3cccc(Br)c3C2)c1CSCC[NH3+] ZINC001256123918 1041555532 /nfs/dbraw/zinc/55/55/32/1041555532.db2.gz UNPVRZLDQQJVFN-AWEZNQCLSA-N 2 2 380.355 3.876 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236274303 1041650633 /nfs/dbraw/zinc/65/06/33/1041650633.db2.gz NDJNXDIPFYYSBW-XZOQPEGZSA-N 2 2 378.516 3.991 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236274303 1041650636 /nfs/dbraw/zinc/65/06/36/1041650636.db2.gz NDJNXDIPFYYSBW-XZOQPEGZSA-N 2 2 378.516 3.991 20 0 GHADLP COC(=O)c1ccc2[nH]cc(C[N@H+](Cc3ccccc3F)C3CC[NH2+]CC3)c2c1 ZINC001236371088 1041684892 /nfs/dbraw/zinc/68/48/92/1041684892.db2.gz QYYJSTAVMIXVGE-UHFFFAOYSA-N 2 2 395.478 3.848 20 0 GHADLP COC(=O)c1ccc2[nH]cc(C[N@@H+](Cc3ccccc3F)C3CC[NH2+]CC3)c2c1 ZINC001236371088 1041684899 /nfs/dbraw/zinc/68/48/99/1041684899.db2.gz QYYJSTAVMIXVGE-UHFFFAOYSA-N 2 2 395.478 3.848 20 0 GHADLP Brc1ccc2c(c1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1)OCO2 ZINC001236373964 1041686397 /nfs/dbraw/zinc/68/63/97/1041686397.db2.gz AKUJLZGGLGEDRB-AWEZNQCLSA-N 2 2 395.341 3.922 20 0 GHADLP Brc1ccc2c(c1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1)OCO2 ZINC001236373964 1041686408 /nfs/dbraw/zinc/68/64/08/1041686408.db2.gz AKUJLZGGLGEDRB-AWEZNQCLSA-N 2 2 395.341 3.922 20 0 GHADLP COc1ccc(C[N@H+](Cc2ccc3cccc(O)c3n2)C2CC[NH2+]CC2)cc1 ZINC001236443090 1041714448 /nfs/dbraw/zinc/71/44/48/1041714448.db2.gz SQXQYJOLCZPNRV-UHFFFAOYSA-N 2 2 377.488 3.703 20 0 GHADLP COc1ccc(C[N@@H+](Cc2ccc3cccc(O)c3n2)C2CC[NH2+]CC2)cc1 ZINC001236443090 1041714456 /nfs/dbraw/zinc/71/44/56/1041714456.db2.gz SQXQYJOLCZPNRV-UHFFFAOYSA-N 2 2 377.488 3.703 20 0 GHADLP Clc1ccccc1C[N@H+](Cc1ccccc1-n1cncn1)C1CC[NH2+]CC1 ZINC001236449131 1041716818 /nfs/dbraw/zinc/71/68/18/1041716818.db2.gz AORNKOGPVMNGQA-UHFFFAOYSA-N 2 2 381.911 3.675 20 0 GHADLP Clc1ccccc1C[N@@H+](Cc1ccccc1-n1cncn1)C1CC[NH2+]CC1 ZINC001236449131 1041716825 /nfs/dbraw/zinc/71/68/25/1041716825.db2.gz AORNKOGPVMNGQA-UHFFFAOYSA-N 2 2 381.911 3.675 20 0 GHADLP COc1cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc(Br)c1OC ZINC001236472956 1041731442 /nfs/dbraw/zinc/73/14/42/1041731442.db2.gz FUTZEZSVALORDY-OAHLLOKOSA-N 2 2 385.346 3.676 20 0 GHADLP COc1cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc(Br)c1OC ZINC001236472956 1041731446 /nfs/dbraw/zinc/73/14/46/1041731446.db2.gz FUTZEZSVALORDY-OAHLLOKOSA-N 2 2 385.346 3.676 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC001236761995 1041877679 /nfs/dbraw/zinc/87/76/79/1041877679.db2.gz KAPKHQLGCWXLQF-DEOSSOPVSA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC001236761995 1041877683 /nfs/dbraw/zinc/87/76/83/1041877683.db2.gz KAPKHQLGCWXLQF-DEOSSOPVSA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC001236761995 1041877685 /nfs/dbraw/zinc/87/76/85/1041877685.db2.gz KAPKHQLGCWXLQF-DEOSSOPVSA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC001236761995 1041877693 /nfs/dbraw/zinc/87/76/93/1041877693.db2.gz KAPKHQLGCWXLQF-DEOSSOPVSA-N 2 2 394.515 3.580 20 0 GHADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)c(OC(F)(F)F)c3)C[C@@H]12 ZINC001236831907 1041921274 /nfs/dbraw/zinc/92/12/74/1041921274.db2.gz SASFRMSCICWTRJ-DMDPSCGWSA-N 2 2 379.220 3.517 20 0 GHADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Br)c(OC(F)(F)F)c3)C[C@@H]12 ZINC001236831907 1041921275 /nfs/dbraw/zinc/92/12/75/1041921275.db2.gz SASFRMSCICWTRJ-DMDPSCGWSA-N 2 2 379.220 3.517 20 0 GHADLP CCOc1cncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001236839136 1041924428 /nfs/dbraw/zinc/92/44/28/1041924428.db2.gz ROYMNPZOYPHIPI-PMOQBDJRSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1cncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001236839136 1041924429 /nfs/dbraw/zinc/92/44/29/1041924429.db2.gz ROYMNPZOYPHIPI-PMOQBDJRSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1cncc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001236839136 1041924430 /nfs/dbraw/zinc/92/44/30/1041924430.db2.gz ROYMNPZOYPHIPI-PMOQBDJRSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1cncc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001236839136 1041924435 /nfs/dbraw/zinc/92/44/35/1041924435.db2.gz ROYMNPZOYPHIPI-PMOQBDJRSA-N 2 2 380.536 3.608 20 0 GHADLP FC(F)(F)[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC1CC2(C1)CC[NH2+]CC2 ZINC001237016257 1041991525 /nfs/dbraw/zinc/99/15/25/1041991525.db2.gz QIFZYEWAOHBOKK-IBGZPJMESA-N 2 2 381.486 3.515 20 0 GHADLP FC(F)(F)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC1CC2(C1)CC[NH2+]CC2 ZINC001237016257 1041991528 /nfs/dbraw/zinc/99/15/28/1041991528.db2.gz QIFZYEWAOHBOKK-IBGZPJMESA-N 2 2 381.486 3.515 20 0 GHADLP Clc1ccccc1-c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cn1 ZINC001237015763 1041991666 /nfs/dbraw/zinc/99/16/66/1041991666.db2.gz IDQPSMSQVCFDCA-UHFFFAOYSA-N 2 2 384.955 3.615 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3c(C)cc(Cl)cc3C)CC2)C1 ZINC001237352794 1042163624 /nfs/dbraw/zinc/16/36/24/1042163624.db2.gz JHMHWUAUZMCCOD-KRWDZBQOSA-N 2 2 378.944 3.806 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c(C)cc(Cl)cc3C)CC2)C1 ZINC001237352794 1042163630 /nfs/dbraw/zinc/16/36/30/1042163630.db2.gz JHMHWUAUZMCCOD-KRWDZBQOSA-N 2 2 378.944 3.806 20 0 GHADLP CC(C)(C)OC(=O)Nc1c(F)cccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001237360146 1042169130 /nfs/dbraw/zinc/16/91/30/1042169130.db2.gz VFILMMZDDLISMQ-UHFFFAOYSA-N 2 2 386.471 3.890 20 0 GHADLP Oc1ccc(C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)c(OC(F)(F)F)c1 ZINC001237374098 1042177268 /nfs/dbraw/zinc/17/72/68/1042177268.db2.gz BKJGWDXHRLSFRO-UHFFFAOYSA-N 2 2 378.394 3.885 20 0 GHADLP COc1ccc2c(c1)n[nH]c2C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001237393590 1042187586 /nfs/dbraw/zinc/18/75/86/1042187586.db2.gz CYPSXIFYILONMC-WOJBJXKFSA-N 2 2 390.531 3.916 20 0 GHADLP COc1ccc2c(c1)n[nH]c2C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001237393590 1042187588 /nfs/dbraw/zinc/18/75/88/1042187588.db2.gz CYPSXIFYILONMC-WOJBJXKFSA-N 2 2 390.531 3.916 20 0 GHADLP COc1ccc2c(c1)n[nH]c2C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001237393590 1042187590 /nfs/dbraw/zinc/18/75/90/1042187590.db2.gz CYPSXIFYILONMC-WOJBJXKFSA-N 2 2 390.531 3.916 20 0 GHADLP COc1ccc2c(c1)n[nH]c2C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001237393590 1042187593 /nfs/dbraw/zinc/18/75/93/1042187593.db2.gz CYPSXIFYILONMC-WOJBJXKFSA-N 2 2 390.531 3.916 20 0 GHADLP CCOC(=O)[C@H]1C[N@H+](Cc2c(Cl)cc(Cl)cc2Cl)CCC12C[NH2+]C2 ZINC001237431022 1042205328 /nfs/dbraw/zinc/20/53/28/1042205328.db2.gz PJORFRPEFDMGKN-CYBMUJFWSA-N 2 2 391.726 3.621 20 0 GHADLP CCOC(=O)[C@H]1C[N@@H+](Cc2c(Cl)cc(Cl)cc2Cl)CCC12C[NH2+]C2 ZINC001237431022 1042205336 /nfs/dbraw/zinc/20/53/36/1042205336.db2.gz PJORFRPEFDMGKN-CYBMUJFWSA-N 2 2 391.726 3.621 20 0 GHADLP CC[NH+](CC)CCCN1CC[NH+](Cc2cc(-c3cccc(Cl)c3)no2)CC1 ZINC001237775235 1042363427 /nfs/dbraw/zinc/36/34/27/1042363427.db2.gz VNAIYXQESIBBMR-UHFFFAOYSA-N 2 2 390.959 3.845 20 0 GHADLP CCc1ncc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)s1 ZINC001237823830 1042387674 /nfs/dbraw/zinc/38/76/74/1042387674.db2.gz GFPKSJKLHJBPLP-UGKGYDQZSA-N 2 2 389.609 3.666 20 0 GHADLP CCc1ncc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)s1 ZINC001237823830 1042387678 /nfs/dbraw/zinc/38/76/78/1042387678.db2.gz GFPKSJKLHJBPLP-UGKGYDQZSA-N 2 2 389.609 3.666 20 0 GHADLP CCc1ncc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)s1 ZINC001237823830 1042387680 /nfs/dbraw/zinc/38/76/80/1042387680.db2.gz GFPKSJKLHJBPLP-UGKGYDQZSA-N 2 2 389.609 3.666 20 0 GHADLP CCc1ncc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)s1 ZINC001237823830 1042387683 /nfs/dbraw/zinc/38/76/83/1042387683.db2.gz GFPKSJKLHJBPLP-UGKGYDQZSA-N 2 2 389.609 3.666 20 0 GHADLP COc1c(C)c[nH+]c(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001238176045 1042509699 /nfs/dbraw/zinc/50/96/99/1042509699.db2.gz KLMSAVIXWJYBRB-WPYKKVEZSA-N 2 2 394.563 3.835 20 0 GHADLP COc1c(C)c[nH+]c(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001238176045 1042509700 /nfs/dbraw/zinc/50/97/00/1042509700.db2.gz KLMSAVIXWJYBRB-WPYKKVEZSA-N 2 2 394.563 3.835 20 0 GHADLP COc1c(C)cnc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001238176045 1042509701 /nfs/dbraw/zinc/50/97/01/1042509701.db2.gz KLMSAVIXWJYBRB-WPYKKVEZSA-N 2 2 394.563 3.835 20 0 GHADLP COc1c(C)cnc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001238176045 1042509704 /nfs/dbraw/zinc/50/97/04/1042509704.db2.gz KLMSAVIXWJYBRB-WPYKKVEZSA-N 2 2 394.563 3.835 20 0 GHADLP COc1c(C)cnc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001238176045 1042509705 /nfs/dbraw/zinc/50/97/05/1042509705.db2.gz KLMSAVIXWJYBRB-WPYKKVEZSA-N 2 2 394.563 3.835 20 0 GHADLP c1ncc(C2CC2)cc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001238184284 1042512187 /nfs/dbraw/zinc/51/21/87/1042512187.db2.gz KLDIVVJELUKCPR-DQEYMECFSA-N 2 2 395.591 3.920 20 0 GHADLP c1ncc(C2CC2)cc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001238184284 1042512188 /nfs/dbraw/zinc/51/21/88/1042512188.db2.gz KLDIVVJELUKCPR-DQEYMECFSA-N 2 2 395.591 3.920 20 0 GHADLP c1ncc(C2CC2)cc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001238184284 1042512191 /nfs/dbraw/zinc/51/21/91/1042512191.db2.gz KLDIVVJELUKCPR-DQEYMECFSA-N 2 2 395.591 3.920 20 0 GHADLP c1ncc(C2CC2)cc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001238184284 1042512194 /nfs/dbraw/zinc/51/21/94/1042512194.db2.gz KLDIVVJELUKCPR-DQEYMECFSA-N 2 2 395.591 3.920 20 0 GHADLP C[NH+](C)CCN1CCC2(C[NH+](CC3=CSC(=C4SC=CS4)S3)C2)C1 ZINC001278221537 1042566218 /nfs/dbraw/zinc/56/62/18/1042566218.db2.gz FTUTZDJBJDTTAK-UHFFFAOYSA-N 2 2 399.676 3.955 20 0 GHADLP C[NH+]1CCN(C2CC[NH+](Cc3cc(F)cc(OCc4ccccc4)c3)CC2)CC1 ZINC001238388861 1042580716 /nfs/dbraw/zinc/58/07/16/1042580716.db2.gz WOTDDHOOEQKLJL-UHFFFAOYSA-N 2 2 397.538 3.617 20 0 GHADLP C[NH+](C)CCN1CCC2(C1)CC[NH+](CCc1c(Cl)cccc1Cl)CC2 ZINC001278232137 1042594194 /nfs/dbraw/zinc/59/41/94/1042594194.db2.gz QVHUJMKRDJJFRA-UHFFFAOYSA-N 2 2 384.395 3.885 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[N@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256535860 1043476976 /nfs/dbraw/zinc/47/69/76/1043476976.db2.gz AZRUPUDFCCXIRG-MBSDFSHPSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256535860 1043476993 /nfs/dbraw/zinc/47/69/93/1043476993.db2.gz AZRUPUDFCCXIRG-MBSDFSHPSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256535860 1043477021 /nfs/dbraw/zinc/47/70/21/1043477021.db2.gz AZRUPUDFCCXIRG-MBSDFSHPSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256535860 1043477043 /nfs/dbraw/zinc/47/70/43/1043477043.db2.gz AZRUPUDFCCXIRG-MBSDFSHPSA-N 2 2 378.516 3.884 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C3CC[NH+](C(C)(C)C)CC3)C[C@@H]21 ZINC001256571038 1043544222 /nfs/dbraw/zinc/54/42/22/1043544222.db2.gz AVOJVQJRKSTGTH-AJSBUHFISA-N 3 2 384.612 3.877 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C3CC[NH+](C(C)(C)C)CC3)C[C@@H]21 ZINC001256571038 1043544225 /nfs/dbraw/zinc/54/42/25/1043544225.db2.gz AVOJVQJRKSTGTH-AJSBUHFISA-N 3 2 384.612 3.877 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@@H]21 ZINC001256571038 1043544233 /nfs/dbraw/zinc/54/42/33/1043544233.db2.gz AVOJVQJRKSTGTH-AJSBUHFISA-N 3 2 384.612 3.877 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@@H]21 ZINC001256571038 1043544236 /nfs/dbraw/zinc/54/42/36/1043544236.db2.gz AVOJVQJRKSTGTH-AJSBUHFISA-N 3 2 384.612 3.877 20 0 GHADLP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@@H]21 ZINC001256571038 1043544248 /nfs/dbraw/zinc/54/42/48/1043544248.db2.gz AVOJVQJRKSTGTH-AJSBUHFISA-N 2 2 384.612 3.877 20 0 GHADLP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@@H]21 ZINC001256571038 1043544256 /nfs/dbraw/zinc/54/42/56/1043544256.db2.gz AVOJVQJRKSTGTH-AJSBUHFISA-N 2 2 384.612 3.877 20 0 GHADLP COC(=O)C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(OC)c1 ZINC001256600956 1043563961 /nfs/dbraw/zinc/56/39/61/1043563961.db2.gz CSZARQFHEKXTQA-JOCHJYFZSA-N 2 2 382.504 3.554 20 0 GHADLP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccn2)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256601845 1043565838 /nfs/dbraw/zinc/56/58/38/1043565838.db2.gz HQPYLWCVDXQKTJ-AFARHQOCSA-N 3 2 378.564 3.818 20 0 GHADLP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256601845 1043565845 /nfs/dbraw/zinc/56/58/45/1043565845.db2.gz HQPYLWCVDXQKTJ-AFARHQOCSA-N 3 2 378.564 3.818 20 0 GHADLP CCOC(=O)Cc1ccc2c(c1)C[N@H+](C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256603896 1043567120 /nfs/dbraw/zinc/56/71/20/1043567120.db2.gz KAYFYYSOOUHSCM-UHFFFAOYSA-N 2 2 392.543 3.815 20 0 GHADLP CCOC(=O)Cc1ccc2c(c1)C[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256603896 1043567129 /nfs/dbraw/zinc/56/71/29/1043567129.db2.gz KAYFYYSOOUHSCM-UHFFFAOYSA-N 2 2 392.543 3.815 20 0 GHADLP CC(C)(C)[N@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256605470 1043568896 /nfs/dbraw/zinc/56/88/96/1043568896.db2.gz CHKQGWBOVVLQKD-JOCHJYFZSA-N 3 2 385.596 3.663 20 0 GHADLP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256605470 1043568907 /nfs/dbraw/zinc/56/89/07/1043568907.db2.gz CHKQGWBOVVLQKD-JOCHJYFZSA-N 3 2 385.596 3.663 20 0 GHADLP CC[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256609332 1043574549 /nfs/dbraw/zinc/57/45/49/1043574549.db2.gz NAEPACJHYQIGQV-OAQYLSRUSA-N 2 2 387.568 3.982 20 0 GHADLP CC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256609332 1043574552 /nfs/dbraw/zinc/57/45/52/1043574552.db2.gz NAEPACJHYQIGQV-OAQYLSRUSA-N 2 2 387.568 3.982 20 0 GHADLP c1ccc(CN2C[C@@H]3CC[N@@H+](C4CC[NH+](Cc5ccccc5)CC4)[C@@H]3C2)cc1 ZINC001256613870 1043579285 /nfs/dbraw/zinc/57/92/85/1043579285.db2.gz XIZVDOFWDLAFEV-UKILVPOCSA-N 2 2 375.560 3.857 20 0 GHADLP c1ccc(CN2C[C@@H]3CC[N@H+](C4CC[NH+](Cc5ccccc5)CC4)[C@@H]3C2)cc1 ZINC001256613870 1043579291 /nfs/dbraw/zinc/57/92/91/1043579291.db2.gz XIZVDOFWDLAFEV-UKILVPOCSA-N 2 2 375.560 3.857 20 0 GHADLP CC[C@@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257129077 1043876846 /nfs/dbraw/zinc/87/68/46/1043876846.db2.gz STYQQKLNUKPLMS-RTBURBONSA-N 2 2 388.556 3.818 20 0 GHADLP CC(C)[C@H]1C[C@@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CCN1C(=O)OC(C)(C)C ZINC001257194232 1043929619 /nfs/dbraw/zinc/92/96/19/1043929619.db2.gz UWKDFAMDMFKVLS-VQTJNVASSA-N 2 2 391.600 3.828 20 0 GHADLP CC(C)[C@H]1C[C@@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CCN1C(=O)OC(C)(C)C ZINC001257194232 1043929623 /nfs/dbraw/zinc/92/96/23/1043929623.db2.gz UWKDFAMDMFKVLS-VQTJNVASSA-N 2 2 391.600 3.828 20 0 GHADLP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C2CC[NH+](C(C)C)CC2)CC3)c1 ZINC001257217994 1043940068 /nfs/dbraw/zinc/94/00/68/1043940068.db2.gz XEIAACGUOSWRBV-UHFFFAOYSA-N 3 2 385.596 3.856 20 0 GHADLP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C2CC[NH+](C(C)C)CC2)CC3)c1 ZINC001257217994 1043940076 /nfs/dbraw/zinc/94/00/76/1043940076.db2.gz XEIAACGUOSWRBV-UHFFFAOYSA-N 3 2 385.596 3.856 20 0 GHADLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc(C(=O)OC(C)(C)C)cc3)CC2)CC1 ZINC001257224358 1043941453 /nfs/dbraw/zinc/94/14/53/1043941453.db2.gz YWRQHQKLUYGSAG-UHFFFAOYSA-N 2 2 387.568 3.637 20 0 GHADLP C[C@H]1CC(N(c2cccc[nH+]2)C2CC[NH2+]CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257591042 1044073655 /nfs/dbraw/zinc/07/36/55/1044073655.db2.gz AZMHBZZDNBASMC-IRXDYDNUSA-N 2 2 388.556 3.817 20 0 GHADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](C2CCC4(COC4)CC2)CC3)cs1 ZINC001257905966 1044254411 /nfs/dbraw/zinc/25/44/11/1044254411.db2.gz WOCRVUCSGARUFN-UHFFFAOYSA-N 2 2 375.582 3.841 20 0 GHADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](C2CCC4(COC4)CC2)CC3)cs1 ZINC001257905966 1044254427 /nfs/dbraw/zinc/25/44/27/1044254427.db2.gz WOCRVUCSGARUFN-UHFFFAOYSA-N 2 2 375.582 3.841 20 0 GHADLP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(F)cc(Cl)cc3F)(C1)CCC2 ZINC001279063086 1044286968 /nfs/dbraw/zinc/28/69/68/1044286968.db2.gz LAKWZJVMCGYQIR-MOPGFXCFSA-N 2 2 388.886 3.763 20 0 GHADLP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001294047475 1044444838 /nfs/dbraw/zinc/44/48/38/1044444838.db2.gz KZPMPKULENWEDF-GBXCKJPGSA-N 2 2 391.559 3.729 20 0 GHADLP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001294047475 1044444847 /nfs/dbraw/zinc/44/48/47/1044444847.db2.gz KZPMPKULENWEDF-GBXCKJPGSA-N 2 2 391.559 3.729 20 0 GHADLP CSC(C)(C)C[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001258345563 1044519885 /nfs/dbraw/zinc/51/98/85/1044519885.db2.gz ARQRUWDDTHCPKK-IAGOWNOFSA-N 2 2 399.645 3.970 20 0 GHADLP CSC(C)(C)C[C@@H](C)[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001258345563 1044519893 /nfs/dbraw/zinc/51/98/93/1044519893.db2.gz ARQRUWDDTHCPKK-IAGOWNOFSA-N 2 2 399.645 3.970 20 0 GHADLP CC1(C)COC2(CCC([NH2+][C@H](C[NH3+])c3ccc(Br)cc3)CC2)OC1 ZINC001258519442 1044596577 /nfs/dbraw/zinc/59/65/77/1044596577.db2.gz FZUMLZSBALCJSP-QGZVFWFLSA-N 2 2 397.357 3.750 20 0 GHADLP C[C@H](Cc1cccnc1)[NH2+]C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001258616438 1044670078 /nfs/dbraw/zinc/67/00/78/1044670078.db2.gz JTQSXRGULXNTNB-PXDATVDWSA-N 2 2 389.543 3.666 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC001258772697 1044757584 /nfs/dbraw/zinc/75/75/84/1044757584.db2.gz XBYKVXGBPOFDHG-UHFFFAOYSA-N 2 2 379.589 3.974 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCN(c3ccc(C(=O)OC(C)(C)C)cc3)CC2)CC1 ZINC001258777004 1044761487 /nfs/dbraw/zinc/76/14/87/1044761487.db2.gz LPLRNCJOMWLMIN-UHFFFAOYSA-N 2 2 387.568 3.638 20 0 GHADLP C[C@H](C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)[NH+]1CCCCCC1 ZINC001298340804 1045778792 /nfs/dbraw/zinc/77/87/92/1045778792.db2.gz IZYPOMMKQUBMFW-GOSISDBHSA-N 2 2 378.520 3.847 20 0 GHADLP Cc1ncsc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cncc(Cl)n3)(C1)CCC2 ZINC001279509360 1047829263 /nfs/dbraw/zinc/82/92/63/1047829263.db2.gz SGZNVDMUYUQHGW-MSOLQXFVSA-N 2 2 377.945 3.620 20 0 GHADLP COc1ncc(Br)cc1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001279581618 1047852458 /nfs/dbraw/zinc/85/24/58/1047852458.db2.gz CZJUFABTKWDMQQ-UHFFFAOYSA-N 2 2 394.357 3.693 20 0 GHADLP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3cscc3Br)(C1)CCC2 ZINC001279708295 1047927680 /nfs/dbraw/zinc/92/76/80/1047927680.db2.gz QWHIUKOHZUQXHI-DLBZAZTESA-N 2 2 386.403 3.597 20 0 GHADLP Nc1ncnc(Cl)c1C[NH2+][C@@]12CC[C@@]([NH2+]CCCC(F)(F)F)(C1)CCC2 ZINC001279714649 1047931965 /nfs/dbraw/zinc/93/19/65/1047931965.db2.gz PMBIFPVHLCMQPG-CVEARBPZSA-N 2 2 391.869 3.579 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](C)CCC[C@H]3C)CC2)cc1 ZINC001307476763 1049314360 /nfs/dbraw/zinc/31/43/60/1049314360.db2.gz ABNRKZADOOHYEE-NHCUHLMSSA-N 2 2 385.596 3.965 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](C)CCC[C@H]3C)CC2)cc1 ZINC001307476763 1049314371 /nfs/dbraw/zinc/31/43/71/1049314371.db2.gz ABNRKZADOOHYEE-NHCUHLMSSA-N 2 2 385.596 3.965 20 0 GHADLP COc1ccc(C[C@@H](C)C[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001307645999 1049472847 /nfs/dbraw/zinc/47/28/47/1049472847.db2.gz UKCUSHZAXVALHP-HXUWFJFHSA-N 2 2 382.548 3.838 20 0 GHADLP COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001307645999 1049472859 /nfs/dbraw/zinc/47/28/59/1049472859.db2.gz UKCUSHZAXVALHP-HXUWFJFHSA-N 2 2 382.548 3.838 20 0 GHADLP OC[C@H](C1CCC1)[N@H+](Cc1ccccc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001307874280 1049656176 /nfs/dbraw/zinc/65/61/76/1049656176.db2.gz LKLIGXLJFXQTEB-RUZDIDTESA-N 2 2 394.559 3.682 20 0 GHADLP OC[C@H](C1CCC1)[N@@H+](Cc1ccccc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001307874280 1049656182 /nfs/dbraw/zinc/65/61/82/1049656182.db2.gz LKLIGXLJFXQTEB-RUZDIDTESA-N 2 2 394.559 3.682 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)C1 ZINC001307904536 1049683087 /nfs/dbraw/zinc/68/30/87/1049683087.db2.gz LTIWCESBRSGFIN-CEXWTWQISA-N 2 2 379.589 3.876 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)C1 ZINC001307904536 1049683100 /nfs/dbraw/zinc/68/31/00/1049683100.db2.gz LTIWCESBRSGFIN-CEXWTWQISA-N 2 2 379.589 3.876 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(Cl)cc2c1OCC2 ZINC001308105390 1049852123 /nfs/dbraw/zinc/85/21/23/1049852123.db2.gz XKJPAFHPEOMUAJ-MRXNPFEDSA-N 2 2 386.923 3.958 20 0 GHADLP CC[C@@H]([NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)C1CCOCC1 ZINC001308300630 1049942743 /nfs/dbraw/zinc/94/27/43/1049942743.db2.gz RIKOJOLGTLBHEC-LJQANCHMSA-N 2 2 377.916 3.910 20 0 GHADLP Cc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1Br ZINC001308330216 1049950542 /nfs/dbraw/zinc/95/05/42/1049950542.db2.gz JNBSGLYDEQZOLA-MSOLQXFVSA-N 2 2 381.358 3.615 20 0 GHADLP CC(C)(C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)C[NH+]1CCCC1 ZINC001308391274 1049965197 /nfs/dbraw/zinc/96/51/97/1049965197.db2.gz XDWYLUTYFUWOOZ-UHFFFAOYSA-N 3 2 390.959 3.827 20 0 GHADLP FC(F)(F)c1ccc(N2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)cc1 ZINC001308662711 1050051730 /nfs/dbraw/zinc/05/17/30/1050051730.db2.gz JRRCBCANFDEDOU-UHFFFAOYSA-N 2 2 387.409 3.608 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCCc1ccc2c(c1)OCCCO2 ZINC001329856551 1050913544 /nfs/dbraw/zinc/91/35/44/1050913544.db2.gz WKNVIRGROJCKLS-UHFFFAOYSA-N 2 2 392.459 3.698 20 0 GHADLP [NH3+][C@@H](C[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1)C1CCCC1 ZINC001331392598 1051268221 /nfs/dbraw/zinc/26/82/21/1051268221.db2.gz RQMQCWVIIISITR-FPOVZHCZSA-N 2 2 399.583 3.511 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)C(C)C ZINC001312181865 1052622195 /nfs/dbraw/zinc/62/21/95/1052622195.db2.gz MJFSINONIOPTOT-WQLSENKSSA-N 2 2 386.584 3.536 20 0 GHADLP CCc1ccc([C@H](CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)[NH+](CC)CC)cc1 ZINC001312787325 1052869546 /nfs/dbraw/zinc/86/95/46/1052869546.db2.gz SSDOTLJYMYMQOX-YADHBBJMSA-N 2 2 397.567 3.875 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001318505099 1054686979 /nfs/dbraw/zinc/68/69/79/1054686979.db2.gz PKGIYUILQDZAPZ-QHCPKHFHSA-N 2 2 388.515 3.852 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001318505099 1054686992 /nfs/dbraw/zinc/68/69/92/1054686992.db2.gz PKGIYUILQDZAPZ-QHCPKHFHSA-N 2 2 388.515 3.852 20 0 GHADLP CCc1ccc(-c2nc(=S)n(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)[nH]2)cc1 ZINC001319490658 1055286499 /nfs/dbraw/zinc/28/64/99/1055286499.db2.gz PGQGWHSWMNWLEI-IBGZPJMESA-N 2 2 385.581 3.791 20 0 GHADLP CCc1ccc(-c2nc(=S)n(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)[nH]2)cc1 ZINC001319490658 1055286508 /nfs/dbraw/zinc/28/65/08/1055286508.db2.gz PGQGWHSWMNWLEI-IBGZPJMESA-N 2 2 385.581 3.791 20 0 GHADLP Clc1cc(Br)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001200623208 1056513657 /nfs/dbraw/zinc/51/36/57/1056513657.db2.gz WNKKJERDGXMDHS-ZDUSSCGKSA-N 2 2 387.749 3.693 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccc(CC(F)(F)F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001200703981 1056770605 /nfs/dbraw/zinc/77/06/05/1056770605.db2.gz QMELZBVMSDOZMU-HXUWFJFHSA-N 2 2 378.438 3.518 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccc(CC(F)(F)F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001200703981 1056770614 /nfs/dbraw/zinc/77/06/14/1056770614.db2.gz QMELZBVMSDOZMU-HXUWFJFHSA-N 2 2 378.438 3.518 20 0 GHADLP C[C@H]([NH2+]Cc1cc(OCC(F)F)ccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001323605301 1056990433 /nfs/dbraw/zinc/99/04/33/1056990433.db2.gz JJQIIKCJHXJNHZ-FUHWJXTLSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@H]([NH2+]Cc1cc(OCC(F)F)ccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001323605301 1056990439 /nfs/dbraw/zinc/99/04/39/1056990439.db2.gz JJQIIKCJHXJNHZ-FUHWJXTLSA-N 2 2 375.463 3.726 20 0 GHADLP FC(F)(F)COc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC001324824811 1057233153 /nfs/dbraw/zinc/23/31/53/1057233153.db2.gz ZVUTVZCWZIJDHC-UHFFFAOYSA-N 2 2 393.453 3.819 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(OCC(F)F)ccn1 ZINC001325039221 1057268515 /nfs/dbraw/zinc/26/85/15/1057268515.db2.gz PENLWADJFLKLRO-UZLBHIALSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(OCC(F)F)ccn1 ZINC001325039221 1057268519 /nfs/dbraw/zinc/26/85/19/1057268519.db2.gz PENLWADJFLKLRO-UZLBHIALSA-N 2 2 375.463 3.726 20 0 GHADLP COc1ccc([C@@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC001326036421 1057399493 /nfs/dbraw/zinc/39/94/93/1057399493.db2.gz FSUWJRFBAXFWSA-XZOQPEGZSA-N 2 2 383.511 3.886 20 0 GHADLP CC(C)Oc1ccc([C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)[NH+](C)C)cc1 ZINC000849080374 1057584399 /nfs/dbraw/zinc/58/43/99/1057584399.db2.gz PGGOEXANDITYBL-LJQANCHMSA-N 2 2 376.451 3.991 20 0 GHADLP C[NH+](C)[C@@H](CNC(=[NH2+])NCCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000849088869 1057588306 /nfs/dbraw/zinc/58/83/06/1057588306.db2.gz VJKVNFNSFXGXGS-SFHVURJKSA-N 2 2 378.442 3.665 20 0 GHADLP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000849091530 1057590557 /nfs/dbraw/zinc/59/05/57/1057590557.db2.gz MYDYAWVLLIJTBP-KRWDZBQOSA-N 2 2 376.888 3.596 20 0 GHADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001338307468 1058506152 /nfs/dbraw/zinc/50/61/52/1058506152.db2.gz DUHLZSDOILPBOQ-UHFFFAOYSA-N 2 2 396.579 3.903 20 0 GHADLP CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001339425921 1059201314 /nfs/dbraw/zinc/20/13/14/1059201314.db2.gz NPPVWQPTEGZQLE-LJQANCHMSA-N 2 2 399.587 3.585 20 0 GHADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)s1 ZINC001444348084 1059313947 /nfs/dbraw/zinc/31/39/47/1059313947.db2.gz KSXWGAIJFIBSMD-GOSISDBHSA-N 2 2 389.609 3.609 20 0 GHADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)s1 ZINC001444348084 1059313964 /nfs/dbraw/zinc/31/39/64/1059313964.db2.gz KSXWGAIJFIBSMD-GOSISDBHSA-N 2 2 389.609 3.609 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC001341240251 1060524446 /nfs/dbraw/zinc/52/44/46/1060524446.db2.gz BOCUNOAZWBFXSK-OAHLLOKOSA-N 2 2 375.900 3.690 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC001341240251 1060524469 /nfs/dbraw/zinc/52/44/69/1060524469.db2.gz BOCUNOAZWBFXSK-OAHLLOKOSA-N 2 2 375.900 3.690 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)N3[C@H](C)CCC[C@@H]3CC[NH+](C)C)cn2c1 ZINC001453753110 1061200134 /nfs/dbraw/zinc/20/01/34/1061200134.db2.gz QMOCZMBMWUOTNR-IEBWSBKVSA-N 2 2 388.581 3.597 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+]3CCCC(C)(C)CC3)n2)CC1 ZINC001459562850 1064128367 /nfs/dbraw/zinc/12/83/67/1064128367.db2.gz VQKMSNZCDLMISL-UHFFFAOYSA-N 2 2 378.586 3.826 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+]3CCCC(C)(C)CC3)n2)CC1 ZINC001459562850 1064128373 /nfs/dbraw/zinc/12/83/73/1064128373.db2.gz VQKMSNZCDLMISL-UHFFFAOYSA-N 2 2 378.586 3.826 20 0 GHADLP O=C(CC[N@@H+]1CCCC2(CCCCC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001459951227 1064298211 /nfs/dbraw/zinc/29/82/11/1064298211.db2.gz TUZFQKBSYWGSFY-UHFFFAOYSA-N 2 2 384.568 3.557 20 0 GHADLP O=C(CC[N@H+]1CCCC2(CCCCC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001459951227 1064298223 /nfs/dbraw/zinc/29/82/23/1064298223.db2.gz TUZFQKBSYWGSFY-UHFFFAOYSA-N 2 2 384.568 3.557 20 0 GHADLP CC[N@@H+]1CCN(C(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C[C@@H]1C ZINC001466103755 1065984143 /nfs/dbraw/zinc/98/41/43/1065984143.db2.gz PFFZKRREGYCHSI-NZQKXSOJSA-N 2 2 397.538 3.580 20 0 GHADLP CC[N@H+]1CCN(C(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C[C@@H]1C ZINC001466103755 1065984146 /nfs/dbraw/zinc/98/41/46/1065984146.db2.gz PFFZKRREGYCHSI-NZQKXSOJSA-N 2 2 397.538 3.580 20 0 GHADLP C[C@@H](NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@H](c1ccccc1)[NH+](C)C ZINC001467372924 1067257349 /nfs/dbraw/zinc/25/73/49/1067257349.db2.gz LKAVXXAWBYVZMX-DYESRHJHSA-N 2 2 381.524 3.885 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CCCCC34CCCC4)CC2)CC1 ZINC001470273649 1068658724 /nfs/dbraw/zinc/65/87/24/1068658724.db2.gz MLCPNPGPADVTLV-OAQYLSRUSA-N 2 2 390.616 3.691 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CCCCC34CCCC4)CC2)CC1 ZINC001470273649 1068658731 /nfs/dbraw/zinc/65/87/31/1068658731.db2.gz MLCPNPGPADVTLV-OAQYLSRUSA-N 2 2 390.616 3.691 20 0 GHADLP CN(C(=O)NCCC(C)(C)C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001470338951 1068688225 /nfs/dbraw/zinc/68/82/25/1068688225.db2.gz CLZMBVXIVVHOHU-RTWAWAEBSA-N 2 2 392.632 3.791 20 0 GHADLP CN(C(=O)NCCC(C)(C)C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001470338951 1068688229 /nfs/dbraw/zinc/68/82/29/1068688229.db2.gz CLZMBVXIVVHOHU-RTWAWAEBSA-N 2 2 392.632 3.791 20 0 GHADLP Fc1ccc(C2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)nc1 ZINC001460468396 1068972401 /nfs/dbraw/zinc/97/24/01/1068972401.db2.gz BQYHZRWTBXTHTK-QFIPXVFZSA-N 2 2 383.511 3.691 20 0 GHADLP Fc1ccc(C2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)nc1 ZINC001460468396 1068972404 /nfs/dbraw/zinc/97/24/04/1068972404.db2.gz BQYHZRWTBXTHTK-QFIPXVFZSA-N 2 2 383.511 3.691 20 0 GHADLP CC(C)(C)CN1CCC[C@H]([NH+]2C[C@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001460637336 1069046391 /nfs/dbraw/zinc/04/63/91/1069046391.db2.gz IMLGSKVTGGRUMV-TUSQITKMSA-N 2 2 397.607 3.868 20 0 GHADLP Cc1nc(-c2ccccc2)oc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001473143218 1073805961 /nfs/dbraw/zinc/80/59/61/1073805961.db2.gz GVPHACXHFAJYNV-OALUTQOASA-N 2 2 382.552 3.640 20 0 GHADLP CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001473173886 1073830997 /nfs/dbraw/zinc/83/09/97/1073830997.db2.gz QYVHUOKRNYXNSP-XMMPIXPASA-N 2 2 379.548 3.922 20 0 GHADLP CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001473173886 1073831010 /nfs/dbraw/zinc/83/10/10/1073831010.db2.gz QYVHUOKRNYXNSP-XMMPIXPASA-N 2 2 379.548 3.922 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(OCC(F)(F)F)cc1 ZINC001473338346 1073926795 /nfs/dbraw/zinc/92/67/95/1073926795.db2.gz BRTHNXXCUWZKFU-LPHOPBHVSA-N 2 2 396.453 3.771 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(OCC(F)(F)F)cc1 ZINC001473338346 1073926798 /nfs/dbraw/zinc/92/67/98/1073926798.db2.gz BRTHNXXCUWZKFU-LPHOPBHVSA-N 2 2 396.453 3.771 20 0 GHADLP Cc1csc(C[C@@H]2CC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC001473824678 1074161997 /nfs/dbraw/zinc/16/19/97/1074161997.db2.gz PNEVAKYSNZHRRP-SFTDATJTSA-N 2 2 385.577 3.607 20 0 GHADLP Cc1csc(C[C@@H]2CC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC001473824678 1074161999 /nfs/dbraw/zinc/16/19/99/1074161999.db2.gz PNEVAKYSNZHRRP-SFTDATJTSA-N 2 2 385.577 3.607 20 0 GHADLP Cc1csc(C[C@@H]2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC001473824678 1074162003 /nfs/dbraw/zinc/16/20/03/1074162003.db2.gz PNEVAKYSNZHRRP-SFTDATJTSA-N 2 2 385.577 3.607 20 0 GHADLP Cc1csc(C[C@@H]2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC001473824678 1074162006 /nfs/dbraw/zinc/16/20/06/1074162006.db2.gz PNEVAKYSNZHRRP-SFTDATJTSA-N 2 2 385.577 3.607 20 0 GHADLP C[C@H](C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)N1CCCCC1 ZINC001473949863 1074215902 /nfs/dbraw/zinc/21/59/02/1074215902.db2.gz FOJKFXQDOIOCCK-QGZVFWFLSA-N 2 2 376.932 3.580 20 0 GHADLP CC(C)(C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC001473980545 1074224844 /nfs/dbraw/zinc/22/48/44/1074224844.db2.gz HGBGDGSAZRNOFW-UHFFFAOYSA-N 2 2 386.511 3.604 20 0 GHADLP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)C1CCCCC1 ZINC001474531190 1074452776 /nfs/dbraw/zinc/45/27/76/1074452776.db2.gz ZSDALOULUHEYEW-HSZRJFAPSA-N 2 2 387.568 3.794 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C[C@@H]1C(F)(F)F ZINC001474658222 1074503537 /nfs/dbraw/zinc/50/35/37/1074503537.db2.gz GSYWNWPNAFVSBA-SVGFKBNWSA-N 2 2 376.463 3.503 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C[C@@H]1C(F)(F)F ZINC001474658222 1074503542 /nfs/dbraw/zinc/50/35/42/1074503542.db2.gz GSYWNWPNAFVSBA-SVGFKBNWSA-N 2 2 376.463 3.503 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001474658822 1074503572 /nfs/dbraw/zinc/50/35/72/1074503572.db2.gz TURMXFVUQHYCCI-RDTXWAMCSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001474658822 1074503574 /nfs/dbraw/zinc/50/35/74/1074503574.db2.gz TURMXFVUQHYCCI-RDTXWAMCSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824578339 609331597 /nfs/dbraw/zinc/33/15/97/609331597.db2.gz SSBFUHHRMJGJFF-WMZOPIPTSA-N 2 2 394.498 3.569 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824578339 609331598 /nfs/dbraw/zinc/33/15/98/609331598.db2.gz SSBFUHHRMJGJFF-WMZOPIPTSA-N 2 2 394.498 3.569 20 0 GHADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc3c([nH+]2)CCC3)CC1 ZINC001165019256 721840248 /nfs/dbraw/zinc/84/02/48/721840248.db2.gz BQFYVSCHOSHCER-UHFFFAOYSA-N 2 2 381.520 3.688 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(C)[nH+]c(C)c4C)CC3)C2)cc1 ZINC001164940655 721932196 /nfs/dbraw/zinc/93/21/96/721932196.db2.gz VUDRWWKAARYZOR-UHFFFAOYSA-N 2 2 380.536 3.582 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(C)[nH+]c(C)c4C)CC3)C2)cc1 ZINC001164940655 721932200 /nfs/dbraw/zinc/93/22/00/721932200.db2.gz VUDRWWKAARYZOR-UHFFFAOYSA-N 2 2 380.536 3.582 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2cc3n(n2)CCC3)CC1 ZINC000414108347 837565857 /nfs/dbraw/zinc/56/58/57/837565857.db2.gz GFLKNLRSXIAKCB-IAGOWNOFSA-N 2 2 385.531 3.522 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(OCc2cccnc2)cc1 ZINC000655689411 837609547 /nfs/dbraw/zinc/60/95/47/837609547.db2.gz CUTBIMVOCCRQEY-AVRDEDQJSA-N 2 2 381.520 3.565 20 0 GHADLP Fc1ccc(Oc2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cn2)cc1 ZINC000655694485 837677951 /nfs/dbraw/zinc/67/79/51/837677951.db2.gz HXNKJKLDXFGQLQ-NRFANRHFSA-N 2 2 385.483 3.746 20 0 GHADLP CCCCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1OC ZINC000655700059 837691022 /nfs/dbraw/zinc/69/10/22/837691022.db2.gz CLSDQERSEKOSJJ-PXNSSMCTSA-N 2 2 376.541 3.778 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000472289688 834448226 /nfs/dbraw/zinc/44/82/26/834448226.db2.gz CZWKFFDQJAJDCB-MRXNPFEDSA-N 2 2 385.339 3.574 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000472289688 834448232 /nfs/dbraw/zinc/44/82/32/834448232.db2.gz CZWKFFDQJAJDCB-MRXNPFEDSA-N 2 2 385.339 3.574 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC(C)(C)CCC[NH+](C)C)c(C)c1 ZINC000458562040 834509359 /nfs/dbraw/zinc/50/93/59/834509359.db2.gz DCDFTJGISLYOEI-FQEVSTJZSA-N 2 2 385.556 3.661 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000090585228 834617631 /nfs/dbraw/zinc/61/76/31/834617631.db2.gz UNGVYSHLFLPGNM-NRFANRHFSA-N 3 2 375.576 3.790 20 0 GHADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000090585228 834617635 /nfs/dbraw/zinc/61/76/35/834617635.db2.gz UNGVYSHLFLPGNM-NRFANRHFSA-N 3 2 375.576 3.790 20 0 GHADLP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000584440031 834619326 /nfs/dbraw/zinc/61/93/26/834619326.db2.gz YKBXJIZWNLCTBQ-QFIPXVFZSA-N 3 2 378.564 3.942 20 0 GHADLP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000584440031 834619331 /nfs/dbraw/zinc/61/93/31/834619331.db2.gz YKBXJIZWNLCTBQ-QFIPXVFZSA-N 3 2 378.564 3.942 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C(F)F)nc1 ZINC000657889641 834965848 /nfs/dbraw/zinc/96/58/48/834965848.db2.gz SQFSRRXVYDIGMZ-SNRMKQJTSA-N 2 2 375.463 3.553 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C(F)F)nc1 ZINC000657889641 834965853 /nfs/dbraw/zinc/96/58/53/834965853.db2.gz SQFSRRXVYDIGMZ-SNRMKQJTSA-N 2 2 375.463 3.553 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782844753 837832809 /nfs/dbraw/zinc/83/28/09/837832809.db2.gz FARSGASSEJVXCN-RXVVDRJESA-N 2 2 397.485 3.622 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782844753 837832819 /nfs/dbraw/zinc/83/28/19/837832819.db2.gz FARSGASSEJVXCN-RXVVDRJESA-N 2 2 397.485 3.622 20 0 GHADLP Fc1ccc(/C=C\C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000685441968 835010615 /nfs/dbraw/zinc/01/06/15/835010615.db2.gz OLCWNCDAQYRSAA-YUAYSCSESA-N 2 2 379.523 3.731 20 0 GHADLP Fc1ccc(/C=C\C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000685441968 835010627 /nfs/dbraw/zinc/01/06/27/835010627.db2.gz OLCWNCDAQYRSAA-YUAYSCSESA-N 2 2 379.523 3.731 20 0 GHADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000685470863 835036014 /nfs/dbraw/zinc/03/60/14/835036014.db2.gz WDRFCKBFTWJUIP-VQIMIIECSA-N 2 2 389.341 3.551 20 0 GHADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000685470863 835036025 /nfs/dbraw/zinc/03/60/25/835036025.db2.gz WDRFCKBFTWJUIP-VQIMIIECSA-N 2 2 389.341 3.551 20 0 GHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000685470863 835036035 /nfs/dbraw/zinc/03/60/35/835036035.db2.gz WDRFCKBFTWJUIP-VQIMIIECSA-N 2 2 389.341 3.551 20 0 GHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000685470863 835036046 /nfs/dbraw/zinc/03/60/46/835036046.db2.gz WDRFCKBFTWJUIP-VQIMIIECSA-N 2 2 389.341 3.551 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000685579659 835190189 /nfs/dbraw/zinc/19/01/89/835190189.db2.gz CUBMKWPSPCYOMU-ZWKOTPCHSA-N 2 2 379.504 3.600 20 0 GHADLP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)COCc1ccccc1 ZINC000658130949 835440939 /nfs/dbraw/zinc/44/09/39/835440939.db2.gz AOIFHKZTXCIBSV-TUACAJSNSA-N 2 2 397.563 3.504 20 0 GHADLP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)COCc1ccccc1 ZINC000658130949 835440943 /nfs/dbraw/zinc/44/09/43/835440943.db2.gz AOIFHKZTXCIBSV-TUACAJSNSA-N 2 2 397.563 3.504 20 0 GHADLP Cc1ccc([C@H](CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)[NH+]2CCCC2)cc1 ZINC000635452021 835539917 /nfs/dbraw/zinc/53/99/17/835539917.db2.gz BOIIZKSVAYEJLR-ROUUACIJSA-N 2 2 394.441 3.638 20 0 GHADLP CCOc1ccc([C@H](CC)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1OCC ZINC000658293086 835558140 /nfs/dbraw/zinc/55/81/40/835558140.db2.gz CVYILJPZFWEDTR-UXHICEINSA-N 2 2 376.541 3.778 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000278698476 835824359 /nfs/dbraw/zinc/82/43/59/835824359.db2.gz NJEPILAFXHNYCS-UHFFFAOYSA-N 2 2 392.503 3.746 20 0 GHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cn(Cc3ccccc3)nc1-c1ccccc1)C2 ZINC000584320706 835875336 /nfs/dbraw/zinc/87/53/36/835875336.db2.gz IJTZXSAWXCZRRU-OAQYLSRUSA-N 2 2 383.499 3.969 20 0 GHADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001206806694 835911634 /nfs/dbraw/zinc/91/16/34/835911634.db2.gz HEUVTTJPBOVKBV-JQWIXIFHSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001206806694 835911635 /nfs/dbraw/zinc/91/16/35/835911635.db2.gz HEUVTTJPBOVKBV-JQWIXIFHSA-N 2 2 381.236 3.907 20 0 GHADLP Cn1cc([C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c2cccc(F)c2)cn1 ZINC000180082204 836059035 /nfs/dbraw/zinc/05/90/35/836059035.db2.gz XRYSITIDKHVYQL-JOCHJYFZSA-N 2 2 375.451 3.683 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(C)c1 ZINC000533528407 836202278 /nfs/dbraw/zinc/20/22/78/836202278.db2.gz WKYYRLLQEUTNAO-DENIHFKCSA-N 2 2 395.551 3.557 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c(C)c1 ZINC000533528407 836202283 /nfs/dbraw/zinc/20/22/83/836202283.db2.gz WKYYRLLQEUTNAO-DENIHFKCSA-N 2 2 395.551 3.557 20 0 GHADLP C[C@H](NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc(F)cc1 ZINC000548931960 836265286 /nfs/dbraw/zinc/26/52/86/836265286.db2.gz JMAPWJAJLNTHLV-PGRDOPGGSA-N 2 2 397.538 3.893 20 0 GHADLP C[C@H](NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc(F)cc1 ZINC000548931960 836265297 /nfs/dbraw/zinc/26/52/97/836265297.db2.gz JMAPWJAJLNTHLV-PGRDOPGGSA-N 2 2 397.538 3.893 20 0 GHADLP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)Cc1cccc(F)c1 ZINC000613396605 836268544 /nfs/dbraw/zinc/26/85/44/836268544.db2.gz SXFYDVDMLDXEPX-UHFFFAOYSA-N 2 2 397.538 3.691 20 0 GHADLP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)Cc1cccc(F)c1 ZINC000613396605 836268550 /nfs/dbraw/zinc/26/85/50/836268550.db2.gz SXFYDVDMLDXEPX-UHFFFAOYSA-N 2 2 397.538 3.691 20 0 GHADLP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)Cc1cccc(F)c1 ZINC000613396605 836268560 /nfs/dbraw/zinc/26/85/60/836268560.db2.gz SXFYDVDMLDXEPX-UHFFFAOYSA-N 2 2 397.538 3.691 20 0 GHADLP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)Cc1cccc(F)c1 ZINC000613396605 836268569 /nfs/dbraw/zinc/26/85/69/836268569.db2.gz SXFYDVDMLDXEPX-UHFFFAOYSA-N 2 2 397.538 3.691 20 0 GHADLP CC(C)C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccccn1 ZINC000155152608 836470018 /nfs/dbraw/zinc/47/00/18/836470018.db2.gz FVUOVVSXGCSJDC-QHCPKHFHSA-N 2 2 383.536 3.670 20 0 GHADLP CC(C)[NH+](CCCN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000511365230 836629246 /nfs/dbraw/zinc/62/92/46/836629246.db2.gz FKSIXXZTUCPBPI-NHCUHLMSSA-N 2 2 381.992 3.810 20 0 GHADLP CC(C)[NH+](CCCN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000511365230 836629248 /nfs/dbraw/zinc/62/92/48/836629248.db2.gz FKSIXXZTUCPBPI-NHCUHLMSSA-N 2 2 381.992 3.810 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)NCCCCNc2cccc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000175637220 836936058 /nfs/dbraw/zinc/93/60/58/836936058.db2.gz BAOPVUZELRZMEE-TZIWHRDSSA-N 2 2 395.551 3.626 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)NCCCCNc2cccc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000175637220 836936066 /nfs/dbraw/zinc/93/60/66/836936066.db2.gz BAOPVUZELRZMEE-TZIWHRDSSA-N 2 2 395.551 3.626 20 0 GHADLP CSc1cc(C)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000612961094 837023889 /nfs/dbraw/zinc/02/38/89/837023889.db2.gz WCKHJXWYRSLKFE-QZTJIDSGSA-N 2 2 393.597 3.719 20 0 GHADLP CSc1cc(C)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000612961094 837023904 /nfs/dbraw/zinc/02/39/04/837023904.db2.gz WCKHJXWYRSLKFE-QZTJIDSGSA-N 2 2 393.597 3.719 20 0 GHADLP CC[C@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000549770990 844248964 /nfs/dbraw/zinc/24/89/64/844248964.db2.gz KMFQVLDBYYDAHG-WMZHIEFXSA-N 2 2 395.547 3.929 20 0 GHADLP CC[C@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000549770990 844248970 /nfs/dbraw/zinc/24/89/70/844248970.db2.gz KMFQVLDBYYDAHG-WMZHIEFXSA-N 2 2 395.547 3.929 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1ccn(C)n1 ZINC000414054003 837277762 /nfs/dbraw/zinc/27/77/62/837277762.db2.gz BGXAJQRDCXOCJY-HXUWFJFHSA-N 2 2 389.547 3.593 20 0 GHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000547967061 838053768 /nfs/dbraw/zinc/05/37/68/838053768.db2.gz YKKYGCGHQZRQTJ-HXUWFJFHSA-N 2 2 399.498 3.849 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000549906739 844316006 /nfs/dbraw/zinc/31/60/06/844316006.db2.gz ADRFPDWDQIJRJC-HTAPYJJXSA-N 2 2 392.478 3.853 20 0 GHADLP COCCOc1cc(C)ccc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000167643544 838460416 /nfs/dbraw/zinc/46/04/16/838460416.db2.gz KEZMESPAAHSBKC-UHFFFAOYSA-N 2 2 397.563 3.845 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC000376680934 838622665 /nfs/dbraw/zinc/62/26/65/838622665.db2.gz PCKYVRIYHNMRPS-GHTZIAJQSA-N 2 2 380.536 3.591 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)CC2 ZINC000376680934 838622672 /nfs/dbraw/zinc/62/26/72/838622672.db2.gz PCKYVRIYHNMRPS-GHTZIAJQSA-N 2 2 380.536 3.591 20 0 GHADLP CC(C)[C@@H]1N(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC12CCCCC2 ZINC000458131349 844352896 /nfs/dbraw/zinc/35/28/96/844352896.db2.gz QBWROKBIAVYUIK-NRFANRHFSA-N 2 2 390.616 3.545 20 0 GHADLP Brc1ccc2c(c1)CC[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC000236629970 838880452 /nfs/dbraw/zinc/88/04/52/838880452.db2.gz LVUKBKONQYVGMS-IBGZPJMESA-N 2 2 386.337 3.960 20 0 GHADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000415136789 839263050 /nfs/dbraw/zinc/26/30/50/839263050.db2.gz SDBBXOLPYMTMCM-XUZZJYLKSA-N 3 2 398.639 3.613 20 0 GHADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000415136788 839263331 /nfs/dbraw/zinc/26/33/31/839263331.db2.gz SDBBXOLPYMTMCM-URXFXBBRSA-N 3 2 398.639 3.613 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H](c3ncc[nH]3)c3ccccc3)[nH+]c2)CC1 ZINC000275853002 839347508 /nfs/dbraw/zinc/34/75/08/839347508.db2.gz LJXPTSWAFDNNPD-OAQYLSRUSA-N 2 2 376.508 3.537 20 0 GHADLP CC(C)[NH+](CCCNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C(C)C ZINC000472746809 839376499 /nfs/dbraw/zinc/37/64/99/839376499.db2.gz GPYLKFXIWQVNNC-LJQANCHMSA-N 2 2 390.572 3.710 20 0 GHADLP C[NH2+]Cc1ccc(Nc2ccc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)[nH+]c2)cc1 ZINC001211130325 839706084 /nfs/dbraw/zinc/70/60/84/839706084.db2.gz LUXZXLOWDZOYCX-LJQANCHMSA-N 2 2 397.523 3.648 20 0 GHADLP CCc1onc(C)c1C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000892963589 839737681 /nfs/dbraw/zinc/73/76/81/839737681.db2.gz HYORYGXLCVRGEU-UHFFFAOYSA-N 2 2 396.457 3.606 20 0 GHADLP c1ccc(CC2(C[NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)CCCCC2)cc1 ZINC000471592924 839782692 /nfs/dbraw/zinc/78/26/92/839782692.db2.gz HVRQIKBNIJIFSH-UHFFFAOYSA-N 2 2 399.623 3.566 20 0 GHADLP c1ccc(CC2(C[NH2+]C3CC[NH+](CCN4CCOCC4)CC3)CCCCC2)cc1 ZINC000471592924 839782701 /nfs/dbraw/zinc/78/27/01/839782701.db2.gz HVRQIKBNIJIFSH-UHFFFAOYSA-N 2 2 399.623 3.566 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ccc3OC[C@H]3CCCO3)CC[C@@H]21 ZINC000535808353 844508088 /nfs/dbraw/zinc/50/80/88/844508088.db2.gz AKGJLERUJDFCIX-AHRSYUTCSA-N 2 2 378.944 3.814 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ccc3OC[C@H]3CCCO3)CC[C@@H]21 ZINC000535808353 844508093 /nfs/dbraw/zinc/50/80/93/844508093.db2.gz AKGJLERUJDFCIX-AHRSYUTCSA-N 2 2 378.944 3.814 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OC[C@H]3CCCO3)CC[C@@H]21 ZINC000535808353 844508098 /nfs/dbraw/zinc/50/80/98/844508098.db2.gz AKGJLERUJDFCIX-AHRSYUTCSA-N 2 2 378.944 3.814 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OC[C@H]3CCCO3)CC[C@@H]21 ZINC000535808353 844508103 /nfs/dbraw/zinc/50/81/03/844508103.db2.gz AKGJLERUJDFCIX-AHRSYUTCSA-N 2 2 378.944 3.814 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418486680 840307560 /nfs/dbraw/zinc/30/75/60/840307560.db2.gz JMFJFGIOMMOBPE-OAQYLSRUSA-N 2 2 393.535 3.720 20 0 GHADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000510365015 840610082 /nfs/dbraw/zinc/61/00/82/840610082.db2.gz WSEVIKMAQIEQPG-UHFFFAOYSA-N 2 2 388.943 3.785 20 0 GHADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000510365015 840610089 /nfs/dbraw/zinc/61/00/89/840610089.db2.gz WSEVIKMAQIEQPG-UHFFFAOYSA-N 2 2 388.943 3.785 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417347109 840757742 /nfs/dbraw/zinc/75/77/42/840757742.db2.gz WPMSWXLZNDOUED-YZGWKJHDSA-N 2 2 386.561 3.741 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000581210512 840855845 /nfs/dbraw/zinc/85/58/45/840855845.db2.gz NNYDEMKJIQHBDE-PXDATVDWSA-N 2 2 393.575 3.662 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000430547188 841005885 /nfs/dbraw/zinc/00/58/85/841005885.db2.gz UIHUZKHFPMGFKB-DKZVUGQWSA-N 2 2 385.939 3.605 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000430547188 841005889 /nfs/dbraw/zinc/00/58/89/841005889.db2.gz UIHUZKHFPMGFKB-DKZVUGQWSA-N 2 2 385.939 3.605 20 0 GHADLP O=C(NC1CC1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000123667089 841006815 /nfs/dbraw/zinc/00/68/15/841006815.db2.gz MGGXEHUAFYIUIW-HSZRJFAPSA-N 2 2 395.522 3.921 20 0 GHADLP CCOc1c(Br)cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000367710693 841014916 /nfs/dbraw/zinc/01/49/16/841014916.db2.gz ZRVYFGFLTCAMGM-AWEZNQCLSA-N 2 2 394.313 3.579 20 0 GHADLP CCOc1c(Br)cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000367710693 841014924 /nfs/dbraw/zinc/01/49/24/841014924.db2.gz ZRVYFGFLTCAMGM-AWEZNQCLSA-N 2 2 394.313 3.579 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccc2ccccc2c1 ZINC000660657143 841065415 /nfs/dbraw/zinc/06/54/15/841065415.db2.gz NYSMVJDWDFTNPK-AXHZCLLHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccc2ccccc2c1 ZINC000660657143 841065425 /nfs/dbraw/zinc/06/54/25/841065425.db2.gz NYSMVJDWDFTNPK-AXHZCLLHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccc2ccccc2c1 ZINC000660657143 841065431 /nfs/dbraw/zinc/06/54/31/841065431.db2.gz NYSMVJDWDFTNPK-AXHZCLLHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccc2ccccc2c1 ZINC000660657143 841065439 /nfs/dbraw/zinc/06/54/39/841065439.db2.gz NYSMVJDWDFTNPK-AXHZCLLHSA-N 2 2 379.548 3.823 20 0 GHADLP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679183 841084312 /nfs/dbraw/zinc/08/43/12/841084312.db2.gz IGEDKQMAWVNGKW-UHFFFAOYSA-N 2 2 393.531 3.862 20 0 GHADLP CC[N@@H+](Cc1cc(F)c(OC)cc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000651643436 841202829 /nfs/dbraw/zinc/20/28/29/841202829.db2.gz AQHAZVNIQZWGAP-UHFFFAOYSA-N 2 2 387.499 3.976 20 0 GHADLP CC[N@H+](Cc1cc(F)c(OC)cc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000651643436 841202841 /nfs/dbraw/zinc/20/28/41/841202841.db2.gz AQHAZVNIQZWGAP-UHFFFAOYSA-N 2 2 387.499 3.976 20 0 GHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000581400967 841259486 /nfs/dbraw/zinc/25/94/86/841259486.db2.gz LVIXOUWDZVNPDS-UHFFFAOYSA-N 2 2 388.515 3.751 20 0 GHADLP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000500105757 841449837 /nfs/dbraw/zinc/44/98/37/841449837.db2.gz AEKKCSKPBDCWTR-QFIPXVFZSA-N 2 2 397.567 3.759 20 0 GHADLP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000500105756 841450047 /nfs/dbraw/zinc/45/00/47/841450047.db2.gz AEKKCSKPBDCWTR-JOCHJYFZSA-N 2 2 397.567 3.759 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000623562605 861205914 /nfs/dbraw/zinc/20/59/14/861205914.db2.gz WSPYZOWCMZVMLB-LBPRGKRZSA-N 2 2 383.359 3.863 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000623562605 861205927 /nfs/dbraw/zinc/20/59/27/861205927.db2.gz WSPYZOWCMZVMLB-LBPRGKRZSA-N 2 2 383.359 3.863 20 0 GHADLP COc1ccc([C@H](C)[C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1OC ZINC000474870758 861222989 /nfs/dbraw/zinc/22/29/89/861222989.db2.gz SDQTVWADQNMONK-FUHIMQAGSA-N 2 2 398.551 3.843 20 0 GHADLP C[C@@H](C1CC1)N(C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000558738636 841651380 /nfs/dbraw/zinc/65/13/80/841651380.db2.gz USIDCSAHPCUVPO-PGRDOPGGSA-N 2 2 383.580 3.666 20 0 GHADLP C[C@@H](C1CC1)N(C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000558738636 841651389 /nfs/dbraw/zinc/65/13/89/841651389.db2.gz USIDCSAHPCUVPO-PGRDOPGGSA-N 2 2 383.580 3.666 20 0 GHADLP C[NH+](C)CCCOc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000730669605 861224702 /nfs/dbraw/zinc/22/47/02/861224702.db2.gz CMAZKQBSMPKSDE-UHFFFAOYSA-N 2 2 393.491 3.525 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000192154320 841679375 /nfs/dbraw/zinc/67/93/75/841679375.db2.gz QZKJQVZGHGLLFL-QGZVFWFLSA-N 2 2 376.460 3.988 20 0 GHADLP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)Nc1ccnn1C1CCCC1 ZINC000045806983 841794171 /nfs/dbraw/zinc/79/41/71/841794171.db2.gz GEGOHDCDULEUPL-UHFFFAOYSA-N 2 2 387.572 3.525 20 0 GHADLP CC1CC[NH+](Cc2ccc(CNC(=O)NCc3ccn4cc[nH+]c4c3)cc2)CC1 ZINC000177918521 861282055 /nfs/dbraw/zinc/28/20/55/861282055.db2.gz JRLAIHMXBNIHNA-UHFFFAOYSA-N 2 2 391.519 3.566 20 0 GHADLP Cc1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)sc1Br ZINC000512032577 842214636 /nfs/dbraw/zinc/21/46/36/842214636.db2.gz VMMRLWMVSIJRAK-KGLIPLIRSA-N 2 2 375.376 3.562 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351172 842345232 /nfs/dbraw/zinc/34/52/32/842345232.db2.gz JEHXGZBBHQRIBI-PRXAMGSTSA-N 2 2 389.849 3.747 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351172 842345245 /nfs/dbraw/zinc/34/52/45/842345245.db2.gz JEHXGZBBHQRIBI-PRXAMGSTSA-N 2 2 389.849 3.747 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(Br)o3)[nH+]c2)CC1 ZINC000276654727 842393611 /nfs/dbraw/zinc/39/36/11/842393611.db2.gz UQGIIEVGXHSKMC-UHFFFAOYSA-N 2 2 379.302 3.580 20 0 GHADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000548296012 842458439 /nfs/dbraw/zinc/45/84/39/842458439.db2.gz SNXICDBMIUSWLP-SFHVURJKSA-N 2 2 379.508 3.615 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CCC(F)CC1 ZINC000661997972 842472381 /nfs/dbraw/zinc/47/23/81/842472381.db2.gz FFUKGPUOOLOISJ-GTPINHCMSA-N 2 2 396.576 3.820 20 0 GHADLP CCN1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511943368 842508741 /nfs/dbraw/zinc/50/87/41/842508741.db2.gz NMWKSYJKOOSEDP-HKUYNNGSSA-N 2 2 396.963 3.922 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)c1cccc(OCC[NH+](C)C)c1 ZINC000581899041 842536873 /nfs/dbraw/zinc/53/68/73/842536873.db2.gz XMHAUMWVSMGUGJ-ZIAGYGMSSA-N 2 2 393.329 3.591 20 0 GHADLP C[C@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178554136 842946490 /nfs/dbraw/zinc/94/64/90/842946490.db2.gz HUQOFQFKNDGJKM-HNAYVOBHSA-N 2 2 375.394 3.973 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662512678 843377291 /nfs/dbraw/zinc/37/72/91/843377291.db2.gz RKDSNICYGNTVPH-WOJBJXKFSA-N 2 2 387.886 3.648 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662512678 843377307 /nfs/dbraw/zinc/37/73/07/843377307.db2.gz RKDSNICYGNTVPH-WOJBJXKFSA-N 2 2 387.886 3.648 20 0 GHADLP Brc1cncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278890005 843553202 /nfs/dbraw/zinc/55/32/02/843553202.db2.gz OCHCMJQAUZWAQS-UHFFFAOYSA-N 2 2 375.314 3.757 20 0 GHADLP Fc1ccc(Br)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000512433785 843780934 /nfs/dbraw/zinc/78/09/34/843780934.db2.gz PDGQUPRLMUCMOM-UHFFFAOYSA-N 2 2 385.321 3.523 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000419285208 843863407 /nfs/dbraw/zinc/86/34/07/843863407.db2.gz DHZCDHGZNPEYTO-CYBMUJFWSA-N 2 2 385.430 3.519 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](Cc4cnc5ccccc5c4)CC3)C2)cc1 ZINC000512463802 843885131 /nfs/dbraw/zinc/88/51/31/843885131.db2.gz UAYSDYXOYBQFTO-DEOSSOPVSA-N 2 2 386.543 3.627 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](Cc4cnc5ccccc5c4)CC3)C2)cc1 ZINC000512463802 843885138 /nfs/dbraw/zinc/88/51/38/843885138.db2.gz UAYSDYXOYBQFTO-DEOSSOPVSA-N 2 2 386.543 3.627 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C[C@H](C)O1 ZINC000433312822 843999457 /nfs/dbraw/zinc/99/94/57/843999457.db2.gz SGOCADMPXZQXHP-IRXDYDNUSA-N 2 2 380.492 3.569 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1NC(C)=O ZINC000152115422 844759870 /nfs/dbraw/zinc/75/98/70/844759870.db2.gz AMLFHJQGIONXJJ-MRXNPFEDSA-N 2 2 378.476 3.749 20 0 GHADLP Cc1ccc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000535855295 844803213 /nfs/dbraw/zinc/80/32/13/844803213.db2.gz NFSOTAAIEBPTPO-GOTSBHOMSA-N 2 2 396.579 3.886 20 0 GHADLP Cc1ccc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000535855295 844803221 /nfs/dbraw/zinc/80/32/21/844803221.db2.gz NFSOTAAIEBPTPO-GOTSBHOMSA-N 2 2 396.579 3.886 20 0 GHADLP Cn1c[nH+]cc1CC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000548519795 845300313 /nfs/dbraw/zinc/30/03/13/845300313.db2.gz DZBQUQMAVARTRW-UHFFFAOYSA-N 2 2 388.515 3.542 20 0 GHADLP CC(C)Cc1ccc([C@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)[NH+](C)C)cc1 ZINC000513373140 845325266 /nfs/dbraw/zinc/32/52/66/845325266.db2.gz QGVCFQSIQGQHIR-NRFANRHFSA-N 2 2 397.567 3.800 20 0 GHADLP Cc1cc(F)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000622843896 845370932 /nfs/dbraw/zinc/37/09/32/845370932.db2.gz MMTPOHYWKZBXHD-UXHICEINSA-N 2 2 393.522 3.682 20 0 GHADLP Cc1cc(F)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000622843896 845370952 /nfs/dbraw/zinc/37/09/52/845370952.db2.gz MMTPOHYWKZBXHD-UXHICEINSA-N 2 2 393.522 3.682 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)[C@H]2CCC3(C[C@H]2F)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000892006854 845395046 /nfs/dbraw/zinc/39/50/46/845395046.db2.gz CPTWQXIZWOYRLA-WLRLJWMZSA-N 2 2 376.516 3.605 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)[C@H]2CCC3(C[C@H]2F)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000892006854 845395058 /nfs/dbraw/zinc/39/50/58/845395058.db2.gz CPTWQXIZWOYRLA-WLRLJWMZSA-N 2 2 376.516 3.605 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)[C@H]2CCC3(C[C@H]2F)OCCO3)CC[NH+]1Cc1ccccc1 ZINC000892006854 845395069 /nfs/dbraw/zinc/39/50/69/845395069.db2.gz CPTWQXIZWOYRLA-WLRLJWMZSA-N 2 2 376.516 3.605 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)[C@H]2CCC3(C[C@H]2F)OCCO3)CC[NH+]1Cc1ccccc1 ZINC000892006854 845395090 /nfs/dbraw/zinc/39/50/90/845395090.db2.gz CPTWQXIZWOYRLA-WLRLJWMZSA-N 2 2 376.516 3.605 20 0 GHADLP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1O ZINC000277254473 845432234 /nfs/dbraw/zinc/43/22/34/845432234.db2.gz PVOAIZMPNGANJJ-QZTJIDSGSA-N 2 2 383.536 3.932 20 0 GHADLP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(C)ccc1OC ZINC000179408735 861568881 /nfs/dbraw/zinc/56/88/81/861568881.db2.gz OGIHZLOSTPQQBO-HSZRJFAPSA-N 2 2 398.547 3.956 20 0 GHADLP CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000431316083 845836149 /nfs/dbraw/zinc/83/61/49/845836149.db2.gz BJQCEYZBFCPFQN-GSPCLOLRSA-N 2 2 398.595 3.521 20 0 GHADLP CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000431316083 845836155 /nfs/dbraw/zinc/83/61/55/845836155.db2.gz BJQCEYZBFCPFQN-GSPCLOLRSA-N 2 2 398.595 3.521 20 0 GHADLP C[C@@]1(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000548624615 845903961 /nfs/dbraw/zinc/90/39/61/845903961.db2.gz HTGYVCFZDQPJKX-QFIPXVFZSA-N 2 2 379.483 3.551 20 0 GHADLP C[C@@]1(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CCC[N@H+]1Cc1ccccc1 ZINC000548624615 845903973 /nfs/dbraw/zinc/90/39/73/845903973.db2.gz HTGYVCFZDQPJKX-QFIPXVFZSA-N 2 2 379.483 3.551 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657311562 846051936 /nfs/dbraw/zinc/05/19/36/846051936.db2.gz NRHAFIPRVCKJQA-IBGZPJMESA-N 3 2 375.520 3.932 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657311562 846051945 /nfs/dbraw/zinc/05/19/45/846051945.db2.gz NRHAFIPRVCKJQA-IBGZPJMESA-N 3 2 375.520 3.932 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000414358188 846237154 /nfs/dbraw/zinc/23/71/54/846237154.db2.gz GABJWCFDXWNKIO-CQSZACIVSA-N 2 2 375.419 3.718 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000280182557 846324885 /nfs/dbraw/zinc/32/48/85/846324885.db2.gz CJUJIUCBHDUISP-UHFFFAOYSA-N 2 2 383.402 3.783 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCc3ccc4ccccc4c3)CC2)CC1 ZINC000422012291 846751050 /nfs/dbraw/zinc/75/10/50/846751050.db2.gz VYLZNCZOVMBPQN-UHFFFAOYSA-N 2 2 393.575 3.791 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCc3ccc4ccccc4c3)CC2)CC1 ZINC000422012291 846751058 /nfs/dbraw/zinc/75/10/58/846751058.db2.gz VYLZNCZOVMBPQN-UHFFFAOYSA-N 2 2 393.575 3.791 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@H](C)c3c[nH]c4ccccc43)CC2)CC1 ZINC000422024072 846755184 /nfs/dbraw/zinc/75/51/84/846755184.db2.gz QUKLLEOTZSUBRH-IBGZPJMESA-N 2 2 396.579 3.680 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@H](C)c3c[nH]c4ccccc43)CC2)CC1 ZINC000422024072 846755194 /nfs/dbraw/zinc/75/51/94/846755194.db2.gz QUKLLEOTZSUBRH-IBGZPJMESA-N 2 2 396.579 3.680 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)Cc3ccc(Cl)cc3)CC2)CC1 ZINC000422026352 846756404 /nfs/dbraw/zinc/75/64/04/846756404.db2.gz UPPWPCPPXHRBKZ-SFHVURJKSA-N 2 2 391.987 3.537 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)Cc3ccc(Cl)cc3)CC2)CC1 ZINC000422026352 846756413 /nfs/dbraw/zinc/75/64/13/846756413.db2.gz UPPWPCPPXHRBKZ-SFHVURJKSA-N 2 2 391.987 3.537 20 0 GHADLP COC[C@H](C)Oc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000657381497 846763926 /nfs/dbraw/zinc/76/39/26/846763926.db2.gz QHKVMLOYUHYLFT-PGRDOPGGSA-N 2 2 379.504 3.907 20 0 GHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000582301546 846811240 /nfs/dbraw/zinc/81/12/40/846811240.db2.gz KVZKDVXEQMAPEB-UXHICEINSA-N 2 2 388.515 3.589 20 0 GHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000582301546 846811242 /nfs/dbraw/zinc/81/12/42/846811242.db2.gz KVZKDVXEQMAPEB-UXHICEINSA-N 2 2 388.515 3.589 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](c3ccccc3C)C3CC3)CC2)CC1 ZINC000422171080 846870682 /nfs/dbraw/zinc/87/06/82/846870682.db2.gz WLOHYXDQHFRWAT-HSZRJFAPSA-N 2 2 398.595 3.648 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](c3ccccc3C)C3CC3)CC2)CC1 ZINC000422171080 846870692 /nfs/dbraw/zinc/87/06/92/846870692.db2.gz WLOHYXDQHFRWAT-HSZRJFAPSA-N 2 2 398.595 3.648 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3ccc(C(C)C)cc3)CC2)CC1 ZINC000422156465 846879470 /nfs/dbraw/zinc/87/94/70/846879470.db2.gz KOAYBRFCCZMCNJ-UHFFFAOYSA-N 2 2 386.584 3.512 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3ccc(C(C)C)cc3)CC2)CC1 ZINC000422156465 846879474 /nfs/dbraw/zinc/87/94/74/846879474.db2.gz KOAYBRFCCZMCNJ-UHFFFAOYSA-N 2 2 386.584 3.512 20 0 GHADLP COc1ccc(Br)c(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000647249426 846957074 /nfs/dbraw/zinc/95/70/74/846957074.db2.gz ZUACNZXPQSZQAU-MJGOQNOKSA-N 2 2 389.337 3.893 20 0 GHADLP COc1ccc(Br)c(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000647249426 846957082 /nfs/dbraw/zinc/95/70/82/846957082.db2.gz ZUACNZXPQSZQAU-MJGOQNOKSA-N 2 2 389.337 3.893 20 0 GHADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000158452721 846967568 /nfs/dbraw/zinc/96/75/68/846967568.db2.gz OVDLMRLXLSLPFF-ZDUSSCGKSA-N 2 2 395.370 3.508 20 0 GHADLP O=C1CCCCN1c1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272619743 847127670 /nfs/dbraw/zinc/12/76/70/847127670.db2.gz XTZUCVSSLJVITH-UHFFFAOYSA-N 2 2 383.458 3.710 20 0 GHADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000273487713 847352850 /nfs/dbraw/zinc/35/28/50/847352850.db2.gz VZJFWMBQPOYLFN-KRWDZBQOSA-N 2 2 393.535 3.796 20 0 GHADLP Cc1cc(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc(C)[nH+]1 ZINC000420787101 847451079 /nfs/dbraw/zinc/45/10/79/847451079.db2.gz VVLFBJSZXNYFKO-QGZVFWFLSA-N 2 2 380.536 3.930 20 0 GHADLP Cc1cc(CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc(C)[nH+]1 ZINC000420787101 847451087 /nfs/dbraw/zinc/45/10/87/847451087.db2.gz VVLFBJSZXNYFKO-QGZVFWFLSA-N 2 2 380.536 3.930 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CCCc4ccc(C)cc43)CC2)CC1 ZINC000422204469 847455654 /nfs/dbraw/zinc/45/56/54/847455654.db2.gz OAIVMEQYGQATSL-QHCPKHFHSA-N 2 2 398.595 3.574 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CCCc4ccc(C)cc43)CC2)CC1 ZINC000422204469 847455669 /nfs/dbraw/zinc/45/56/69/847455669.db2.gz OAIVMEQYGQATSL-QHCPKHFHSA-N 2 2 398.595 3.574 20 0 GHADLP CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccc(OC)c(OC)c1 ZINC000420900175 847519457 /nfs/dbraw/zinc/51/94/57/847519457.db2.gz ISBNJXKKLFYKTJ-UHFFFAOYSA-N 2 2 384.520 3.558 20 0 GHADLP CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccc(OC)c(OC)c1 ZINC000420900175 847519464 /nfs/dbraw/zinc/51/94/64/847519464.db2.gz ISBNJXKKLFYKTJ-UHFFFAOYSA-N 2 2 384.520 3.558 20 0 GHADLP c1csc(C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]2CCCO2)c1 ZINC000420899696 847519519 /nfs/dbraw/zinc/51/95/19/847519519.db2.gz HOGWOQWNMOIWKR-NRFANRHFSA-N 2 2 386.561 3.762 20 0 GHADLP c1csc(C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]2CCCO2)c1 ZINC000420899696 847519526 /nfs/dbraw/zinc/51/95/26/847519526.db2.gz HOGWOQWNMOIWKR-NRFANRHFSA-N 2 2 386.561 3.762 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000503254098 847524712 /nfs/dbraw/zinc/52/47/12/847524712.db2.gz DEHQKYFUDRVMJF-QZTJIDSGSA-N 2 2 398.378 3.581 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000503254098 847524716 /nfs/dbraw/zinc/52/47/16/847524716.db2.gz DEHQKYFUDRVMJF-QZTJIDSGSA-N 2 2 398.378 3.581 20 0 GHADLP CC[N@H+](CCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CCCCC1 ZINC000650610884 847577171 /nfs/dbraw/zinc/57/71/71/847577171.db2.gz NNLLGHIUOOMMAA-UHFFFAOYSA-N 2 2 387.572 3.526 20 0 GHADLP CC[N@@H+](CCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CCCCC1 ZINC000650610884 847577184 /nfs/dbraw/zinc/57/71/84/847577184.db2.gz NNLLGHIUOOMMAA-UHFFFAOYSA-N 2 2 387.572 3.526 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000421036528 847638388 /nfs/dbraw/zinc/63/83/88/847638388.db2.gz NQEPXFQRZZOFQJ-UHFFFAOYSA-N 2 2 398.473 3.729 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000421036528 847638396 /nfs/dbraw/zinc/63/83/96/847638396.db2.gz NQEPXFQRZZOFQJ-UHFFFAOYSA-N 2 2 398.473 3.729 20 0 GHADLP O=C1[C@@H]([N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCN1c1ccccc1 ZINC000503384215 847644149 /nfs/dbraw/zinc/64/41/49/847644149.db2.gz OKPFKGNCTXFNNF-NQIIRXRSSA-N 2 2 378.520 3.594 20 0 GHADLP O=C1[C@@H]([N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCN1c1ccccc1 ZINC000503384215 847644157 /nfs/dbraw/zinc/64/41/57/847644157.db2.gz OKPFKGNCTXFNNF-NQIIRXRSSA-N 2 2 378.520 3.594 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3c(C)cccc3Cl)CC2)CC1 ZINC000421097855 847719611 /nfs/dbraw/zinc/71/96/11/847719611.db2.gz NDBACSYBZUPOKF-UHFFFAOYSA-N 2 2 378.948 3.672 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3c(C)cccc3Cl)CC2)CC1 ZINC000421097855 847719615 /nfs/dbraw/zinc/71/96/15/847719615.db2.gz NDBACSYBZUPOKF-UHFFFAOYSA-N 2 2 378.948 3.672 20 0 GHADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC000422788820 847820690 /nfs/dbraw/zinc/82/06/90/847820690.db2.gz NMNNIDPWGJNACE-HOCLYGCPSA-N 2 2 395.425 3.749 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000422835348 847847671 /nfs/dbraw/zinc/84/76/71/847847671.db2.gz IKRKHGSCLXCQLM-ASASOQJESA-N 3 2 391.559 3.885 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000422835348 847847679 /nfs/dbraw/zinc/84/76/79/847847679.db2.gz IKRKHGSCLXCQLM-ASASOQJESA-N 3 2 391.559 3.885 20 0 GHADLP FC(F)(F)Cn1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000582692574 848042803 /nfs/dbraw/zinc/04/28/03/848042803.db2.gz CKSODMWFQWDIKQ-IBGZPJMESA-N 2 2 378.442 3.543 20 0 GHADLP FC(F)(F)Cn1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000582692574 848042809 /nfs/dbraw/zinc/04/28/09/848042809.db2.gz CKSODMWFQWDIKQ-IBGZPJMESA-N 2 2 378.442 3.543 20 0 GHADLP FC(F)(F)Cn1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000582692574 848042811 /nfs/dbraw/zinc/04/28/11/848042811.db2.gz CKSODMWFQWDIKQ-IBGZPJMESA-N 2 2 378.442 3.543 20 0 GHADLP FC(F)(F)Cn1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000582692574 848042816 /nfs/dbraw/zinc/04/28/16/848042816.db2.gz CKSODMWFQWDIKQ-IBGZPJMESA-N 2 2 378.442 3.543 20 0 GHADLP Cc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1F ZINC000179947231 861864369 /nfs/dbraw/zinc/86/43/69/861864369.db2.gz GUVPDOGRAIDXGF-UXHICEINSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1F ZINC000179947231 861864376 /nfs/dbraw/zinc/86/43/76/861864376.db2.gz GUVPDOGRAIDXGF-UXHICEINSA-N 2 2 390.547 3.935 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000657535507 848113026 /nfs/dbraw/zinc/11/30/26/848113026.db2.gz NTMNWRWFGCRAAN-JOCHJYFZSA-N 3 2 385.596 3.520 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000657535507 848113030 /nfs/dbraw/zinc/11/30/30/848113030.db2.gz NTMNWRWFGCRAAN-JOCHJYFZSA-N 3 2 385.596 3.520 20 0 GHADLP CCc1sc(-c2nnc(C[N@H+]3CC[C@H](OCC[NH+](CC)CC)C3)o2)cc1C ZINC000472266450 848457238 /nfs/dbraw/zinc/45/72/38/848457238.db2.gz XCHCOBFIAIBLJR-INIZCTEOSA-N 2 2 392.569 3.602 20 0 GHADLP CCc1sc(-c2nnc(C[N@@H+]3CC[C@H](OCC[NH+](CC)CC)C3)o2)cc1C ZINC000472266450 848457245 /nfs/dbraw/zinc/45/72/45/848457245.db2.gz XCHCOBFIAIBLJR-INIZCTEOSA-N 2 2 392.569 3.602 20 0 GHADLP COc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1SC ZINC000192357964 861929099 /nfs/dbraw/zinc/92/90/99/861929099.db2.gz NCQRWPKHLXMFGG-FQEVSTJZSA-N 2 2 386.561 3.798 20 0 GHADLP COc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1SC ZINC000192357964 861929110 /nfs/dbraw/zinc/92/91/10/861929110.db2.gz NCQRWPKHLXMFGG-FQEVSTJZSA-N 2 2 386.561 3.798 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CC(C)(C)CCc4ccccc43)C2)CC1 ZINC000685049616 848687185 /nfs/dbraw/zinc/68/71/85/848687185.db2.gz YKPZIAQYXWHLIT-UGKGYDQZSA-N 2 2 398.595 3.558 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CC(C)(C)CCc4ccccc43)C2)CC1 ZINC000685049616 848687189 /nfs/dbraw/zinc/68/71/89/848687189.db2.gz YKPZIAQYXWHLIT-UGKGYDQZSA-N 2 2 398.595 3.558 20 0 GHADLP c1ccc(C[NH+]2CCC(OCCCNc3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000192328865 861943147 /nfs/dbraw/zinc/94/31/47/861943147.db2.gz GVULEIUWXNOWFZ-UHFFFAOYSA-N 2 2 395.551 3.560 20 0 GHADLP c1ccc(C[NH+]2CCC(OCCCNc3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000192328865 861943153 /nfs/dbraw/zinc/94/31/53/861943153.db2.gz GVULEIUWXNOWFZ-UHFFFAOYSA-N 2 2 395.551 3.560 20 0 GHADLP CC(C)C[C@H](CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000535933473 849088915 /nfs/dbraw/zinc/08/89/15/849088915.db2.gz ZPFFWNGKHZYKST-SESVDKBCSA-N 2 2 397.567 3.685 20 0 GHADLP Cc1cc(Br)cn2c(CN3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)c[nH+]c12 ZINC000583143926 849179104 /nfs/dbraw/zinc/17/91/04/849179104.db2.gz JUOBXSWSZHRJBV-DLBZAZTESA-N 2 2 377.330 3.512 20 0 GHADLP CCN(Cc1ccc2ccccc2c1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604209459 861995827 /nfs/dbraw/zinc/99/58/27/861995827.db2.gz UJWSEKYLVKWUDS-JOCHJYFZSA-N 2 2 394.563 3.540 20 0 GHADLP CCN(Cc1ccc2ccccc2c1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604209459 861995834 /nfs/dbraw/zinc/99/58/34/861995834.db2.gz UJWSEKYLVKWUDS-JOCHJYFZSA-N 2 2 394.563 3.540 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150816223 849293379 /nfs/dbraw/zinc/29/33/79/849293379.db2.gz KBUQOZMVBBHRGM-NFBKMPQASA-N 2 2 399.579 3.557 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150816223 849293385 /nfs/dbraw/zinc/29/33/85/849293385.db2.gz KBUQOZMVBBHRGM-NFBKMPQASA-N 2 2 399.579 3.557 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000154491596 849311051 /nfs/dbraw/zinc/31/10/51/849311051.db2.gz VSNCYUSTASXWDB-AVRDEDQJSA-N 2 2 389.547 3.696 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000154491596 849311059 /nfs/dbraw/zinc/31/10/59/849311059.db2.gz VSNCYUSTASXWDB-AVRDEDQJSA-N 2 2 389.547 3.696 20 0 GHADLP C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155164103 849466602 /nfs/dbraw/zinc/46/66/02/849466602.db2.gz QVOGPHYCEOWERK-QGZVFWFLSA-N 2 2 392.478 3.967 20 0 GHADLP CCCC[N@H+](C)CC1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425184509 849761350 /nfs/dbraw/zinc/76/13/50/849761350.db2.gz DTFIDZOLXTXOLZ-NRFANRHFSA-N 2 2 382.552 3.902 20 0 GHADLP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425184509 849761356 /nfs/dbraw/zinc/76/13/56/849761356.db2.gz DTFIDZOLXTXOLZ-NRFANRHFSA-N 2 2 382.552 3.902 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000423164465 849779073 /nfs/dbraw/zinc/77/90/73/849779073.db2.gz SOUSYJOVQSBCST-IMFGXOCKSA-N 2 2 381.545 3.937 20 0 GHADLP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423186303 849779131 /nfs/dbraw/zinc/77/91/31/849779131.db2.gz KXIGISQOUOBBPZ-KRWDZBQOSA-N 2 2 378.289 3.740 20 0 GHADLP C[C@H](CCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000425198469 849786869 /nfs/dbraw/zinc/78/68/69/849786869.db2.gz YBEATMAJFHTNNX-DENIHFKCSA-N 2 2 390.531 3.959 20 0 GHADLP C[C@H](CCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000425198469 849786879 /nfs/dbraw/zinc/78/68/79/849786879.db2.gz YBEATMAJFHTNNX-DENIHFKCSA-N 2 2 390.531 3.959 20 0 GHADLP COC[C@]1(C[NH2+][C@H]2c3cc(Br)ccc3SC[C@H]2C)CCC[NH2+]1 ZINC000423409473 849912950 /nfs/dbraw/zinc/91/29/50/849912950.db2.gz BRDRZEBQQIZBGM-CSMYWGQOSA-N 2 2 385.371 3.590 20 0 GHADLP Brc1cccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc2)c1 ZINC000423490004 849952571 /nfs/dbraw/zinc/95/25/71/849952571.db2.gz HEGBVAGSQVRRQB-RBUKOAKNSA-N 2 2 375.310 3.507 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)C2CC2)cc1 ZINC000434987628 849975832 /nfs/dbraw/zinc/97/58/32/849975832.db2.gz OBWXXGIYINFXKV-UHFFFAOYSA-N 2 2 380.536 3.904 20 0 GHADLP Fc1ccc(-n2cc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cn2)cc1 ZINC000435061910 850037952 /nfs/dbraw/zinc/03/79/52/850037952.db2.gz VIQOHQYWXQRINA-UHFFFAOYSA-N 2 2 379.483 3.924 20 0 GHADLP CC(C)[NH+](CCN(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C(C)C ZINC000504490300 850095844 /nfs/dbraw/zinc/09/58/44/850095844.db2.gz SXRNIPAMTHYAOU-UHFFFAOYSA-N 2 2 381.590 3.712 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000514760983 850258521 /nfs/dbraw/zinc/25/85/21/850258521.db2.gz CEXJEQCICXRDRE-UHFFFAOYSA-N 2 2 377.492 3.710 20 0 GHADLP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000514760983 850258527 /nfs/dbraw/zinc/25/85/27/850258527.db2.gz CEXJEQCICXRDRE-UHFFFAOYSA-N 2 2 377.492 3.710 20 0 GHADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000647940093 850344051 /nfs/dbraw/zinc/34/40/51/850344051.db2.gz MDQHCVFMSFGKDD-KPLVRAHFSA-N 2 2 381.520 3.652 20 0 GHADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000647940093 850344063 /nfs/dbraw/zinc/34/40/63/850344063.db2.gz MDQHCVFMSFGKDD-KPLVRAHFSA-N 2 2 381.520 3.652 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1Br ZINC000481722964 862129310 /nfs/dbraw/zinc/12/93/10/862129310.db2.gz CFKYARDYEHCJNE-OXQOHEQNSA-N 2 2 388.353 3.887 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1Br ZINC000481722964 862129316 /nfs/dbraw/zinc/12/93/16/862129316.db2.gz CFKYARDYEHCJNE-OXQOHEQNSA-N 2 2 388.353 3.887 20 0 GHADLP O[C@H]1CC[N@@H+](C2CC[NH+](C/C=C/c3ccc(OCc4ccccc4)cc3)CC2)C1 ZINC000668740012 850456656 /nfs/dbraw/zinc/45/66/56/850456656.db2.gz QTZJCHIUZFAWDZ-BSBODGDASA-N 2 2 392.543 3.810 20 0 GHADLP O[C@H]1CC[N@H+](C2CC[NH+](C/C=C/c3ccc(OCc4ccccc4)cc3)CC2)C1 ZINC000668740012 850456659 /nfs/dbraw/zinc/45/66/59/850456659.db2.gz QTZJCHIUZFAWDZ-BSBODGDASA-N 2 2 392.543 3.810 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784126 850744982 /nfs/dbraw/zinc/74/49/82/850744982.db2.gz BBPIMUFQGJLPNT-HXUWFJFHSA-N 2 2 390.959 3.685 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784126 850744991 /nfs/dbraw/zinc/74/49/91/850744991.db2.gz BBPIMUFQGJLPNT-HXUWFJFHSA-N 2 2 390.959 3.685 20 0 GHADLP O=C(C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1ccc(F)c(F)c1 ZINC000435691524 850771600 /nfs/dbraw/zinc/77/16/00/850771600.db2.gz GRADJTFRANPTTP-GOSISDBHSA-N 2 2 391.487 3.609 20 0 GHADLP O=C(C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1ccc(F)c(F)c1 ZINC000435691524 850771605 /nfs/dbraw/zinc/77/16/05/850771605.db2.gz GRADJTFRANPTTP-GOSISDBHSA-N 2 2 391.487 3.609 20 0 GHADLP FC1(F)CCC[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000513894110 850986065 /nfs/dbraw/zinc/98/60/65/850986065.db2.gz HDGNRCXTUXUZKA-VQTJNVASSA-N 2 2 392.538 3.741 20 0 GHADLP FC1(F)CCC[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000513894110 850986070 /nfs/dbraw/zinc/98/60/70/850986070.db2.gz HDGNRCXTUXUZKA-VQTJNVASSA-N 2 2 392.538 3.741 20 0 GHADLP COc1cccc2c(N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)ccnc12 ZINC000436434808 851608328 /nfs/dbraw/zinc/60/83/28/851608328.db2.gz RVPOZEGIOHLIJS-UHFFFAOYSA-N 2 2 396.579 3.876 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CC4(CCC4)[C@@H]3C3CCOCC3)C2)cc1 ZINC000425558904 851934343 /nfs/dbraw/zinc/93/43/43/851934343.db2.gz YHHFJRSBUOHEIQ-PKTZIBPZSA-N 2 2 384.564 3.559 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CC4(CCC4)[C@@H]3C3CCOCC3)C2)cc1 ZINC000425558904 851934351 /nfs/dbraw/zinc/93/43/51/851934351.db2.gz YHHFJRSBUOHEIQ-PKTZIBPZSA-N 2 2 384.564 3.559 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CC4(CCC4)[C@@H]3C3CCOCC3)C2)cc1 ZINC000425558904 851934356 /nfs/dbraw/zinc/93/43/56/851934356.db2.gz YHHFJRSBUOHEIQ-PKTZIBPZSA-N 2 2 384.564 3.559 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CC4(CCC4)[C@@H]3C3CCOCC3)C2)cc1 ZINC000425558904 851934365 /nfs/dbraw/zinc/93/43/65/851934365.db2.gz YHHFJRSBUOHEIQ-PKTZIBPZSA-N 2 2 384.564 3.559 20 0 GHADLP Cn1nc(C2CC2)nc1C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838932 851952347 /nfs/dbraw/zinc/95/23/47/851952347.db2.gz VRKBKMOIPISDJB-JOCHJYFZSA-N 2 2 393.579 3.815 20 0 GHADLP Cn1nc(C2CC2)nc1C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838932 851952350 /nfs/dbraw/zinc/95/23/50/851952350.db2.gz VRKBKMOIPISDJB-JOCHJYFZSA-N 2 2 393.579 3.815 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604580271 862317864 /nfs/dbraw/zinc/31/78/64/862317864.db2.gz CONVYJDHFAHDDK-UHFFFAOYSA-N 2 2 391.519 3.712 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604580271 862317880 /nfs/dbraw/zinc/31/78/80/862317880.db2.gz CONVYJDHFAHDDK-UHFFFAOYSA-N 2 2 391.519 3.712 20 0 GHADLP CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2)ncn1 ZINC000180776009 862333484 /nfs/dbraw/zinc/33/34/84/862333484.db2.gz UFIRQIFCYQAPSO-PXNSSMCTSA-N 2 2 376.508 3.544 20 0 GHADLP CCC(CC)(CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[NH2+][C@@H](C)c1ccccc1 ZINC000489327678 852233329 /nfs/dbraw/zinc/23/33/29/852233329.db2.gz HBDSWBYRAMOGLP-SFHVURJKSA-N 2 2 391.519 3.907 20 0 GHADLP CC(C)[NH+](CCN(C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C(C)C ZINC000506885163 852288637 /nfs/dbraw/zinc/28/86/37/852288637.db2.gz VVVGFTXVEODFAC-LJQANCHMSA-N 2 2 390.572 3.662 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000489455374 852348365 /nfs/dbraw/zinc/34/83/65/852348365.db2.gz IGWONRVXMUAVKC-JOCHJYFZSA-N 2 2 392.547 3.816 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000489455374 852348370 /nfs/dbraw/zinc/34/83/70/852348370.db2.gz IGWONRVXMUAVKC-JOCHJYFZSA-N 2 2 392.547 3.816 20 0 GHADLP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426775865 852381463 /nfs/dbraw/zinc/38/14/63/852381463.db2.gz DFEYHDPEEJLQRD-QZTJIDSGSA-N 2 2 397.563 3.870 20 0 GHADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)CCCO2 ZINC000489550880 852437244 /nfs/dbraw/zinc/43/72/44/852437244.db2.gz KVHHRWDNQGNOQC-SFTDATJTSA-N 2 2 387.568 3.556 20 0 GHADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)CCCO2 ZINC000489550880 852437250 /nfs/dbraw/zinc/43/72/50/852437250.db2.gz KVHHRWDNQGNOQC-SFTDATJTSA-N 2 2 387.568 3.556 20 0 GHADLP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)c1 ZINC000414932284 852454477 /nfs/dbraw/zinc/45/44/77/852454477.db2.gz CRVFQINICRJUSD-AOMKIAJQSA-N 2 2 377.488 3.855 20 0 GHADLP CCC(CC)[C@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCC1 ZINC000604637005 862364087 /nfs/dbraw/zinc/36/40/87/862364087.db2.gz MCGVBOXZERAJOP-NRFANRHFSA-N 2 2 383.540 3.572 20 0 GHADLP C[C@@H](c1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000517855679 852523004 /nfs/dbraw/zinc/52/30/04/852523004.db2.gz GNDDEJIEOODXDK-WMZHIEFXSA-N 2 2 393.531 3.683 20 0 GHADLP C[C@@H](c1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000517855679 852523013 /nfs/dbraw/zinc/52/30/13/852523013.db2.gz GNDDEJIEOODXDK-WMZHIEFXSA-N 2 2 393.531 3.683 20 0 GHADLP CC(C)[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1Cl ZINC000604656230 862372808 /nfs/dbraw/zinc/37/28/08/862372808.db2.gz IKKYBKNUPCKBBP-OXJNMPFZSA-N 2 2 392.975 3.505 20 0 GHADLP CC(C)[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1Cl ZINC000604656230 862372826 /nfs/dbraw/zinc/37/28/26/862372826.db2.gz IKKYBKNUPCKBBP-OXJNMPFZSA-N 2 2 392.975 3.505 20 0 GHADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000425676461 852597158 /nfs/dbraw/zinc/59/71/58/852597158.db2.gz SHAKRDTUVZPPLJ-OXQOHEQNSA-N 2 2 381.524 3.737 20 0 GHADLP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000425676461 852597170 /nfs/dbraw/zinc/59/71/70/852597170.db2.gz SHAKRDTUVZPPLJ-OXQOHEQNSA-N 2 2 381.524 3.737 20 0 GHADLP C[NH2+]CC1CC[NH+](CC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)CC1 ZINC000516469805 852599132 /nfs/dbraw/zinc/59/91/32/852599132.db2.gz RJULLYVJRNWDSL-UHFFFAOYSA-N 2 2 386.565 3.605 20 0 GHADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(F)cc1Br ZINC000517999199 852718592 /nfs/dbraw/zinc/71/85/92/852718592.db2.gz KAJLSPWTQAPVPQ-UHFFFAOYSA-N 2 2 396.304 3.604 20 0 GHADLP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000490055383 852738828 /nfs/dbraw/zinc/73/88/28/852738828.db2.gz BVQJBJALAYDERR-LJQANCHMSA-N 2 2 378.442 3.526 20 0 GHADLP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000490055383 852738839 /nfs/dbraw/zinc/73/88/39/852738839.db2.gz BVQJBJALAYDERR-LJQANCHMSA-N 2 2 378.442 3.526 20 0 GHADLP C/C(=C\c1ccccc1)CN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000426119182 852752996 /nfs/dbraw/zinc/75/29/96/852752996.db2.gz XCMUKKSCZGMNLW-DYTRJAOYSA-N 2 2 398.595 3.682 20 0 GHADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519598787 852781475 /nfs/dbraw/zinc/78/14/75/852781475.db2.gz HYVNMHDSEDRKEM-RBZQAINGSA-N 3 2 397.607 3.541 20 0 GHADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519598787 852781481 /nfs/dbraw/zinc/78/14/81/852781481.db2.gz HYVNMHDSEDRKEM-RBZQAINGSA-N 3 2 397.607 3.541 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000180926922 862411249 /nfs/dbraw/zinc/41/12/49/862411249.db2.gz ZBQZPQCYPLQFNE-UHFFFAOYSA-N 2 2 393.000 3.921 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000180926922 862411259 /nfs/dbraw/zinc/41/12/59/862411259.db2.gz ZBQZPQCYPLQFNE-UHFFFAOYSA-N 2 2 393.000 3.921 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccncc1 ZINC000507634265 853129230 /nfs/dbraw/zinc/12/92/30/853129230.db2.gz FOFXYBWZUHQLRL-QGZVFWFLSA-N 2 2 392.469 3.963 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000518262575 853153231 /nfs/dbraw/zinc/15/32/31/853153231.db2.gz OVSNIOOXUKAGCM-AZUAARDMSA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000518262575 853153235 /nfs/dbraw/zinc/15/32/35/853153235.db2.gz OVSNIOOXUKAGCM-AZUAARDMSA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000518262575 853153240 /nfs/dbraw/zinc/15/32/40/853153240.db2.gz OVSNIOOXUKAGCM-AZUAARDMSA-N 2 2 382.504 3.583 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000518262575 853153247 /nfs/dbraw/zinc/15/32/47/853153247.db2.gz OVSNIOOXUKAGCM-AZUAARDMSA-N 2 2 382.504 3.583 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000490800641 853272399 /nfs/dbraw/zinc/27/23/99/853272399.db2.gz ULHGQUYLVVSAEJ-CTNGQTDRSA-N 2 2 388.515 3.821 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000490800641 853272403 /nfs/dbraw/zinc/27/24/03/853272403.db2.gz ULHGQUYLVVSAEJ-CTNGQTDRSA-N 2 2 388.515 3.821 20 0 GHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623851606 862468714 /nfs/dbraw/zinc/46/87/14/862468714.db2.gz COJUFNQUUMQOAP-XLIONFOSSA-N 2 2 387.549 3.622 20 0 GHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623851606 862468721 /nfs/dbraw/zinc/46/87/21/862468721.db2.gz COJUFNQUUMQOAP-XLIONFOSSA-N 2 2 387.549 3.622 20 0 GHADLP FC(F)(F)c1cccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000517226374 853535866 /nfs/dbraw/zinc/53/58/66/853535866.db2.gz QHLLEXXMAIVZQD-GOEBONIOSA-N 2 2 380.414 3.719 20 0 GHADLP FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000517226374 853535871 /nfs/dbraw/zinc/53/58/71/853535871.db2.gz QHLLEXXMAIVZQD-GOEBONIOSA-N 2 2 380.414 3.719 20 0 GHADLP COC(=O)c1cc2cc(C[NH+]3CCC(Oc4cc[nH+]cc4C)CC3)ccc2o1 ZINC000517264930 853594748 /nfs/dbraw/zinc/59/47/48/853594748.db2.gz DDBVQIADESWDCK-UHFFFAOYSA-N 2 2 380.444 3.966 20 0 GHADLP CC(C)c1nnc([C@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCO2)o1 ZINC000517316909 853649805 /nfs/dbraw/zinc/64/98/05/853649805.db2.gz NNMRSDSMQYFQSC-HXUWFJFHSA-N 2 2 384.524 3.752 20 0 GHADLP CC(C)c1nnc([C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCO2)o1 ZINC000517316909 853649813 /nfs/dbraw/zinc/64/98/13/853649813.db2.gz NNMRSDSMQYFQSC-HXUWFJFHSA-N 2 2 384.524 3.752 20 0 GHADLP Cc1cc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cnc1Cl ZINC000760657300 853656420 /nfs/dbraw/zinc/65/64/20/853656420.db2.gz QKXDHWRFJAKLAF-UHFFFAOYSA-N 2 2 386.971 3.731 20 0 GHADLP c1c[nH+]c(N2CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccccc3)CC2)[nH]1 ZINC000571235818 853812235 /nfs/dbraw/zinc/81/22/35/853812235.db2.gz MSMWSTOAIBQHQW-UHFFFAOYSA-N 2 2 384.487 3.585 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000732780269 862505812 /nfs/dbraw/zinc/50/58/12/862505812.db2.gz IUKHHLLEXTZJON-OAQYLSRUSA-N 2 2 385.596 3.592 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000732780269 862505828 /nfs/dbraw/zinc/50/58/28/862505828.db2.gz IUKHHLLEXTZJON-OAQYLSRUSA-N 2 2 385.596 3.592 20 0 GHADLP Cc1cc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccc1C1CC1 ZINC000481917789 862515429 /nfs/dbraw/zinc/51/54/29/862515429.db2.gz ZMMBFSRGECYDPS-UHFFFAOYSA-N 2 2 384.568 3.944 20 0 GHADLP CCOc1cc(C[N@H+](C)CCCn2cc[nH+]c2)cc(Br)c1OC ZINC000520290197 854034393 /nfs/dbraw/zinc/03/43/93/854034393.db2.gz WZBIJKNMNGLMBK-UHFFFAOYSA-N 2 2 382.302 3.575 20 0 GHADLP CCOc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)cc(Br)c1OC ZINC000520290197 854034399 /nfs/dbraw/zinc/03/43/99/854034399.db2.gz WZBIJKNMNGLMBK-UHFFFAOYSA-N 2 2 382.302 3.575 20 0 GHADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000441403902 854200443 /nfs/dbraw/zinc/20/04/43/854200443.db2.gz GYBCWQYSWMSJHZ-NZQKXSOJSA-N 2 2 395.591 3.563 20 0 GHADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000441403902 854200451 /nfs/dbraw/zinc/20/04/51/854200451.db2.gz GYBCWQYSWMSJHZ-NZQKXSOJSA-N 2 2 395.591 3.563 20 0 GHADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000441403902 854200457 /nfs/dbraw/zinc/20/04/57/854200457.db2.gz GYBCWQYSWMSJHZ-NZQKXSOJSA-N 2 2 395.591 3.563 20 0 GHADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000441403902 854200464 /nfs/dbraw/zinc/20/04/64/854200464.db2.gz GYBCWQYSWMSJHZ-NZQKXSOJSA-N 2 2 395.591 3.563 20 0 GHADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(Br)cc1 ZINC000588687347 854359008 /nfs/dbraw/zinc/35/90/08/854359008.db2.gz DSKMYYHRPSJZNF-BEFAXECRSA-N 2 2 377.326 3.593 20 0 GHADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(Br)cc1 ZINC000588687347 854359015 /nfs/dbraw/zinc/35/90/15/854359015.db2.gz DSKMYYHRPSJZNF-BEFAXECRSA-N 2 2 377.326 3.593 20 0 GHADLP COC(=O)c1ccccc1-c1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)o1 ZINC000481989422 862583779 /nfs/dbraw/zinc/58/37/79/862583779.db2.gz BNJVPBJMWZEKAF-SFHVURJKSA-N 2 2 378.428 3.782 20 0 GHADLP CN(C(=O)[C@@H]1CCC=CCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001128012108 854827214 /nfs/dbraw/zinc/82/72/14/854827214.db2.gz XNBSAKMRLOQWEY-FCEUIQTBSA-N 2 2 375.601 3.919 20 0 GHADLP CN(C(=O)[C@@H]1CCC=CCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001128012108 854827220 /nfs/dbraw/zinc/82/72/20/854827220.db2.gz XNBSAKMRLOQWEY-FCEUIQTBSA-N 2 2 375.601 3.919 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)Nc3ccc(C[NH+]4CCSCC4)cc3C)ccn12 ZINC000572660602 854924300 /nfs/dbraw/zinc/92/43/00/854924300.db2.gz MAWUPKLOOPLHMT-UHFFFAOYSA-N 2 2 380.517 3.752 20 0 GHADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441453853 854925004 /nfs/dbraw/zinc/92/50/04/854925004.db2.gz ZYLCMLCCDZYVOL-RBBKRZOGSA-N 2 2 383.580 3.622 20 0 GHADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441453853 854925015 /nfs/dbraw/zinc/92/50/15/854925015.db2.gz ZYLCMLCCDZYVOL-RBBKRZOGSA-N 2 2 383.580 3.622 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000482014635 862630949 /nfs/dbraw/zinc/63/09/49/862630949.db2.gz HMSZAETVTJSTKD-ROUUACIJSA-N 2 2 396.000 3.799 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000482014635 862630956 /nfs/dbraw/zinc/63/09/56/862630956.db2.gz HMSZAETVTJSTKD-ROUUACIJSA-N 2 2 396.000 3.799 20 0 GHADLP CC(C)(C)CC[NH+]1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000056562656 855571497 /nfs/dbraw/zinc/57/14/97/855571497.db2.gz CUNTUSDYMDFDPJ-UHFFFAOYSA-N 2 2 393.601 3.715 20 0 GHADLP c1ccc(CCC[N@@H+]2CCCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000542764541 855687429 /nfs/dbraw/zinc/68/74/29/855687429.db2.gz PJPJTAQFIICFFG-UHFFFAOYSA-N 2 2 379.552 3.612 20 0 GHADLP c1ccc(CCC[N@H+]2CCCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000542764541 855687436 /nfs/dbraw/zinc/68/74/36/855687436.db2.gz PJPJTAQFIICFFG-UHFFFAOYSA-N 2 2 379.552 3.612 20 0 GHADLP C[C@@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000591080029 855749997 /nfs/dbraw/zinc/74/99/97/855749997.db2.gz CSRYFTBCJCVOFN-KBPBESRZSA-N 2 2 388.581 3.856 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000591083276 855752712 /nfs/dbraw/zinc/75/27/12/855752712.db2.gz UGEXWFYQQGDHOB-DZGCQCFKSA-N 2 2 381.307 3.704 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000591083276 855752717 /nfs/dbraw/zinc/75/27/17/855752717.db2.gz UGEXWFYQQGDHOB-DZGCQCFKSA-N 2 2 381.307 3.704 20 0 GHADLP C[NH2+]CCC1CC[NH+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)CC1 ZINC000573091754 855860427 /nfs/dbraw/zinc/86/04/27/855860427.db2.gz WQEJEQDCYIPAGP-UHFFFAOYSA-N 2 2 382.533 3.885 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000591422451 855970653 /nfs/dbraw/zinc/97/06/53/855970653.db2.gz RJDJPRYCWGNJDW-JOCHJYFZSA-N 2 2 376.504 3.631 20 0 GHADLP O=C1[C@@H]([N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCN1Cc1ccccc1 ZINC000760830394 855992215 /nfs/dbraw/zinc/99/22/15/855992215.db2.gz LQLOZFDAMGENIF-GOTSBHOMSA-N 2 2 383.580 3.766 20 0 GHADLP O=C1[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCN1Cc1ccccc1 ZINC000760830394 855992219 /nfs/dbraw/zinc/99/22/19/855992219.db2.gz LQLOZFDAMGENIF-GOTSBHOMSA-N 2 2 383.580 3.766 20 0 GHADLP C[C@H](CCCOc1ccccc1C(N)=O)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110167 856082204 /nfs/dbraw/zinc/08/22/04/856082204.db2.gz CCUSOZFEWPZBSM-GUDVDZBRSA-N 2 2 396.535 3.505 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N[C@@H]3CCCC[C@H]3C)C2)s1 ZINC000573486864 856252663 /nfs/dbraw/zinc/25/26/63/856252663.db2.gz UNRPQDCQGDQORA-YVWKXTFCSA-N 2 2 377.598 3.505 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N[C@@H]3CCCC[C@H]3C)C2)s1 ZINC000573486864 856252667 /nfs/dbraw/zinc/25/26/67/856252667.db2.gz UNRPQDCQGDQORA-YVWKXTFCSA-N 2 2 377.598 3.505 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@@H]3CCCC[C@H]3C)C2)s1 ZINC000573486864 856252676 /nfs/dbraw/zinc/25/26/76/856252676.db2.gz UNRPQDCQGDQORA-YVWKXTFCSA-N 2 2 377.598 3.505 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@@H]3CCCC[C@H]3C)C2)s1 ZINC000573486864 856252686 /nfs/dbraw/zinc/25/26/86/856252686.db2.gz UNRPQDCQGDQORA-YVWKXTFCSA-N 2 2 377.598 3.505 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000921775016 856366864 /nfs/dbraw/zinc/36/68/64/856366864.db2.gz PETCQKVKYDRXBG-UHFFFAOYSA-N 2 2 389.297 3.687 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000921775016 856366866 /nfs/dbraw/zinc/36/68/66/856366866.db2.gz PETCQKVKYDRXBG-UHFFFAOYSA-N 2 2 389.297 3.687 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000658121539 856694951 /nfs/dbraw/zinc/69/49/51/856694951.db2.gz AZIOJTDVLUMVKW-MNEFBYGVSA-N 2 2 385.474 3.772 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000658121539 856694958 /nfs/dbraw/zinc/69/49/58/856694958.db2.gz AZIOJTDVLUMVKW-MNEFBYGVSA-N 2 2 385.474 3.772 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CC(=O)Nc2ccccc2C)cc1 ZINC000665254263 857056631 /nfs/dbraw/zinc/05/66/31/857056631.db2.gz LNFMNZPXYOIBIE-JZWVFAODSA-N 2 2 395.547 3.846 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cccc(C(=O)N(C)C)c2)c(C)c1 ZINC000921920154 857121445 /nfs/dbraw/zinc/12/14/45/857121445.db2.gz HDLCVAKDPJSGOZ-JOCHJYFZSA-N 2 2 376.504 3.733 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057153194 857154443 /nfs/dbraw/zinc/15/44/43/857154443.db2.gz KMWXRLAZCFBXFH-LJQANCHMSA-N 2 2 398.576 3.980 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057153194 857154447 /nfs/dbraw/zinc/15/44/47/857154447.db2.gz KMWXRLAZCFBXFH-LJQANCHMSA-N 2 2 398.576 3.980 20 0 GHADLP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295637 857267439 /nfs/dbraw/zinc/26/74/39/857267439.db2.gz OCRLVXMHHVQIJM-PKOBYXMFSA-N 2 2 381.358 3.613 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H](Cn3cccn3)c3ccccc3)CC2)cc1 ZINC000766139612 857398173 /nfs/dbraw/zinc/39/81/73/857398173.db2.gz UAXYEBTZQGWNGO-DEOSSOPVSA-N 2 2 389.547 3.949 20 0 GHADLP Brc1ccc2c(C3C[NH+](Cc4cccc5n[nH]cc54)C3)[nH+]cn2c1 ZINC001143097360 857490455 /nfs/dbraw/zinc/49/04/55/857490455.db2.gz YSJTUXRMCOHXBE-UHFFFAOYSA-N 2 2 382.265 3.573 20 0 GHADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000442226849 857619091 /nfs/dbraw/zinc/61/90/91/857619091.db2.gz BPDKGXUYUHSDDO-UNMCSNQZSA-N 2 2 397.567 3.615 20 0 GHADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000442226849 857619095 /nfs/dbraw/zinc/61/90/95/857619095.db2.gz BPDKGXUYUHSDDO-UNMCSNQZSA-N 2 2 397.567 3.615 20 0 GHADLP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000574424899 857808515 /nfs/dbraw/zinc/80/85/15/857808515.db2.gz JPRJIBXOIJRMKL-GOSISDBHSA-N 2 2 381.524 3.740 20 0 GHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000594053421 857856090 /nfs/dbraw/zinc/85/60/90/857856090.db2.gz KUNATGOMXBRIDN-MRXNPFEDSA-N 2 2 396.318 3.683 20 0 GHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000594053421 857856101 /nfs/dbraw/zinc/85/61/01/857856101.db2.gz KUNATGOMXBRIDN-MRXNPFEDSA-N 2 2 396.318 3.683 20 0 GHADLP C[C@@H]1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000442606438 857994420 /nfs/dbraw/zinc/99/44/20/857994420.db2.gz FPLKIUULFPERDB-WOJBJXKFSA-N 2 2 387.572 3.522 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC[NH+]3[C@H](C)CCC[C@@H]3C)n2)C1 ZINC000521696111 858239419 /nfs/dbraw/zinc/23/94/19/858239419.db2.gz GXJWSWFLTGCOOL-ZACQAIPSSA-N 2 2 393.601 3.759 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC[NH+]3[C@H](C)CCC[C@@H]3C)n2)C1 ZINC000521696111 858239427 /nfs/dbraw/zinc/23/94/27/858239427.db2.gz GXJWSWFLTGCOOL-ZACQAIPSSA-N 2 2 393.601 3.759 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NCC[N@H+]3[C@H](C)CCC[C@@H]3C)n2)C1 ZINC000521696111 858239434 /nfs/dbraw/zinc/23/94/34/858239434.db2.gz GXJWSWFLTGCOOL-ZACQAIPSSA-N 2 2 393.601 3.759 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NCC[N@@H+]3[C@H](C)CCC[C@@H]3C)n2)C1 ZINC000521696111 858239442 /nfs/dbraw/zinc/23/94/42/858239442.db2.gz GXJWSWFLTGCOOL-ZACQAIPSSA-N 2 2 393.601 3.759 20 0 GHADLP Cc1cccc(C)c1-n1nnnc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158859987 858415663 /nfs/dbraw/zinc/41/56/63/858415663.db2.gz LOXDEIQVYFMNJX-HXUWFJFHSA-N 2 2 396.583 3.756 20 0 GHADLP Cc1cccc(C)c1-n1nnnc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158859987 858415670 /nfs/dbraw/zinc/41/56/70/858415670.db2.gz LOXDEIQVYFMNJX-HXUWFJFHSA-N 2 2 396.583 3.756 20 0 GHADLP CC[C@@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[N@H+](C)Cc1ccccc1 ZINC000521946863 858477647 /nfs/dbraw/zinc/47/76/47/858477647.db2.gz IQNGNWDVNFFPHQ-UNMCSNQZSA-N 2 2 394.563 3.836 20 0 GHADLP CC[C@@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[N@@H+](C)Cc1ccccc1 ZINC000521946863 858477650 /nfs/dbraw/zinc/47/76/50/858477650.db2.gz IQNGNWDVNFFPHQ-UNMCSNQZSA-N 2 2 394.563 3.836 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc(OC)c1O ZINC000575026540 858497275 /nfs/dbraw/zinc/49/72/75/858497275.db2.gz ZUVINHAGLQSMCD-DEOSSOPVSA-N 2 2 396.531 3.898 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc(OC)c1O ZINC000575026540 858497281 /nfs/dbraw/zinc/49/72/81/858497281.db2.gz ZUVINHAGLQSMCD-DEOSSOPVSA-N 2 2 396.531 3.898 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc(OC)c1O ZINC000575026540 858497289 /nfs/dbraw/zinc/49/72/89/858497289.db2.gz ZUVINHAGLQSMCD-DEOSSOPVSA-N 2 2 396.531 3.898 20 0 GHADLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc(OC)c1O ZINC000575026540 858497296 /nfs/dbraw/zinc/49/72/96/858497296.db2.gz ZUVINHAGLQSMCD-DEOSSOPVSA-N 2 2 396.531 3.898 20 0 GHADLP C[NH+](C)C[C@@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000522016801 858538493 /nfs/dbraw/zinc/53/84/93/858538493.db2.gz RUHJROHJQUWPSP-HXUWFJFHSA-N 2 2 397.910 3.628 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000482653417 858735449 /nfs/dbraw/zinc/73/54/49/858735449.db2.gz XYKSBIYSWZPPCR-QRVBRYPASA-N 2 2 397.485 3.661 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000482653417 858735453 /nfs/dbraw/zinc/73/54/53/858735453.db2.gz XYKSBIYSWZPPCR-QRVBRYPASA-N 2 2 397.485 3.661 20 0 GHADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H](Cc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000482654573 858735501 /nfs/dbraw/zinc/73/55/01/858735501.db2.gz JPMWSEGVMVRJDH-APWZRJJASA-N 2 2 385.310 3.928 20 0 GHADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)CCCn3cc[nH+]c3C)c2c1C ZINC000120196063 881356037 /nfs/dbraw/zinc/35/60/37/881356037.db2.gz SETFATOTCJYWAB-UHFFFAOYSA-N 2 2 398.580 3.935 20 0 GHADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C12CCOCC2 ZINC000923033862 858969955 /nfs/dbraw/zinc/96/99/55/858969955.db2.gz LRZRXAGHYDTIQO-MSOLQXFVSA-N 2 2 375.538 3.776 20 0 GHADLP CN(Cc1ccc(Oc2ccc(F)cc2)nc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668162187 858974960 /nfs/dbraw/zinc/97/49/60/858974960.db2.gz QORRXUQIPYMZMK-OAQYLSRUSA-N 2 2 398.526 3.613 20 0 GHADLP CN(Cc1ccc(Oc2ccc(F)cc2)nc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668162187 858974963 /nfs/dbraw/zinc/97/49/63/858974963.db2.gz QORRXUQIPYMZMK-OAQYLSRUSA-N 2 2 398.526 3.613 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(-n2cccn2)c1 ZINC000429684504 859016763 /nfs/dbraw/zinc/01/67/63/859016763.db2.gz MUYMMQITEOZMAA-HYBUGGRVSA-N 2 2 390.531 3.814 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(-n2cccn2)c1 ZINC000429684504 859016773 /nfs/dbraw/zinc/01/67/73/859016773.db2.gz MUYMMQITEOZMAA-HYBUGGRVSA-N 2 2 390.531 3.814 20 0 GHADLP C[NH+](C)CC1(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CCCC1 ZINC000185173910 859051913 /nfs/dbraw/zinc/05/19/13/859051913.db2.gz XIPXJSCXBVZUTR-SFTDATJTSA-N 2 2 395.551 3.533 20 0 GHADLP C[C@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185721446 859121477 /nfs/dbraw/zinc/12/14/77/859121477.db2.gz LINRWYIKJUQHMI-RRPUWOKSSA-N 2 2 383.580 3.983 20 0 GHADLP C[C@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185721446 859121483 /nfs/dbraw/zinc/12/14/83/859121483.db2.gz LINRWYIKJUQHMI-RRPUWOKSSA-N 2 2 383.580 3.983 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccc2ncsc2c1 ZINC000631115722 859195105 /nfs/dbraw/zinc/19/51/05/859195105.db2.gz YHISHIKJGLWPMS-QGZVFWFLSA-N 2 2 397.544 3.858 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCC3CCC(C(F)(F)F)CC3)[nH+]c2)CC1 ZINC000466367532 859245923 /nfs/dbraw/zinc/24/59/23/859245923.db2.gz WFHVREFFDHTZIZ-UHFFFAOYSA-N 2 2 384.490 3.815 20 0 GHADLP O=c1[nH]c(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)nc2c3ccccc3oc21 ZINC000923507838 859378071 /nfs/dbraw/zinc/37/80/71/859378071.db2.gz QTAWXISOZQBHSW-OAHLLOKOSA-N 2 2 380.492 3.683 20 0 GHADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429445189 859389781 /nfs/dbraw/zinc/38/97/81/859389781.db2.gz FQBNZJAYOBBBER-TZIWHRDSSA-N 2 2 392.547 3.765 20 0 GHADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429445189 859389790 /nfs/dbraw/zinc/38/97/90/859389790.db2.gz FQBNZJAYOBBBER-TZIWHRDSSA-N 2 2 392.547 3.765 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3Cc4cccc(Cl)c4C3)CC2)C1 ZINC001168720167 859413351 /nfs/dbraw/zinc/41/33/51/859413351.db2.gz GYHMGGGKXPUMJR-IEBWSBKVSA-N 2 2 390.955 3.547 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3Cc4cccc(Cl)c4C3)CC2)C1 ZINC001168720167 859413354 /nfs/dbraw/zinc/41/33/54/859413354.db2.gz GYHMGGGKXPUMJR-IEBWSBKVSA-N 2 2 390.955 3.547 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483494655 859422073 /nfs/dbraw/zinc/42/20/73/859422073.db2.gz WHVDDJXZAMYKJZ-PMVMPFDFSA-N 2 2 383.580 3.620 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483494655 859422082 /nfs/dbraw/zinc/42/20/82/859422082.db2.gz WHVDDJXZAMYKJZ-PMVMPFDFSA-N 2 2 383.580 3.620 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483494655 859422086 /nfs/dbraw/zinc/42/20/86/859422086.db2.gz WHVDDJXZAMYKJZ-PMVMPFDFSA-N 2 2 383.580 3.620 20 0 GHADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483494655 859422094 /nfs/dbraw/zinc/42/20/94/859422094.db2.gz WHVDDJXZAMYKJZ-PMVMPFDFSA-N 2 2 383.580 3.620 20 0 GHADLP COCc1cc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)ccc1OC ZINC000764765613 859594355 /nfs/dbraw/zinc/59/43/55/859594355.db2.gz AXLOLFLDTQELCH-HXUWFJFHSA-N 2 2 397.563 3.705 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1ccco1 ZINC000474300317 859779840 /nfs/dbraw/zinc/77/98/40/859779840.db2.gz AVXCPDNRXOMLKW-WOJBJXKFSA-N 2 2 387.499 3.582 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1ccco1 ZINC000474300317 859779847 /nfs/dbraw/zinc/77/98/47/859779847.db2.gz AVXCPDNRXOMLKW-WOJBJXKFSA-N 2 2 387.499 3.582 20 0 GHADLP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000484086403 859810077 /nfs/dbraw/zinc/81/00/77/859810077.db2.gz ZOMSOKAKSXDJEH-UHFFFAOYSA-N 3 2 384.568 3.751 20 0 GHADLP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000484086403 859810085 /nfs/dbraw/zinc/81/00/85/859810085.db2.gz ZOMSOKAKSXDJEH-UHFFFAOYSA-N 3 2 384.568 3.751 20 0 GHADLP CC(=O)CCCCCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000765198085 859832262 /nfs/dbraw/zinc/83/22/62/859832262.db2.gz VHKGJYDJNSNEEH-YADHBBJMSA-N 2 2 393.616 3.712 20 0 GHADLP CC(=O)CCCCCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000765198085 859832269 /nfs/dbraw/zinc/83/22/69/859832269.db2.gz VHKGJYDJNSNEEH-YADHBBJMSA-N 2 2 393.616 3.712 20 0 GHADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000484161556 859854844 /nfs/dbraw/zinc/85/48/44/859854844.db2.gz NCOKXAKVJLFJJJ-VGSWGCGISA-N 2 2 390.474 3.884 20 0 GHADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000484161556 859854858 /nfs/dbraw/zinc/85/48/58/859854858.db2.gz NCOKXAKVJLFJJJ-VGSWGCGISA-N 2 2 390.474 3.884 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765358413 859927108 /nfs/dbraw/zinc/92/71/08/859927108.db2.gz OSGZKBPCWRNFGM-CQSZACIVSA-N 2 2 391.443 3.719 20 0 GHADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000026309332 860000163 /nfs/dbraw/zinc/00/01/63/860000163.db2.gz GYMQYUMXHCNWIJ-UHFFFAOYSA-N 2 2 387.487 3.593 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3nc4ccc(F)cc4s3)[nH+]c2)CC1 ZINC000428864820 860056194 /nfs/dbraw/zinc/05/61/94/860056194.db2.gz AIFLHPDCDWWBHA-UHFFFAOYSA-N 2 2 385.512 3.973 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000508965093 860312465 /nfs/dbraw/zinc/31/24/65/860312465.db2.gz LGLAIWHPMMYMJA-LJQANCHMSA-N 2 2 383.536 3.567 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000508967094 860321906 /nfs/dbraw/zinc/32/19/06/860321906.db2.gz LEIKWEXJWUNOBQ-FQEVSTJZSA-N 2 2 395.547 3.711 20 0 GHADLP C[C@@H]1CC([NH2+]Cc2ccnn2CC(F)(F)F)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168037045 860362772 /nfs/dbraw/zinc/36/27/72/860362772.db2.gz YMLADKDNZLTKIB-HZPDHXFCSA-N 2 2 380.458 3.977 20 0 GHADLP C[C@@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@H]1CC[NH3+] ZINC000904393868 860389977 /nfs/dbraw/zinc/38/99/77/860389977.db2.gz FVTZTZPIPSSXAD-UZLBHIALSA-N 2 2 379.508 3.583 20 0 GHADLP C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000498416189 860413728 /nfs/dbraw/zinc/41/37/28/860413728.db2.gz XLYRHUPKGNBMMB-IRLDBZIGSA-N 2 2 398.595 3.729 20 0 GHADLP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000603002048 860414719 /nfs/dbraw/zinc/41/47/19/860414719.db2.gz AVVSYMMSTMHPPQ-UHFFFAOYSA-N 2 2 395.551 3.875 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000669672678 860578786 /nfs/dbraw/zinc/57/87/86/860578786.db2.gz WRPQGNKGBHAUGQ-KRWDZBQOSA-N 2 2 384.524 3.674 20 0 GHADLP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000532230668 881558181 /nfs/dbraw/zinc/55/81/81/881558181.db2.gz JDSYFTBUXCMATJ-IRXDYDNUSA-N 2 2 377.960 3.797 20 0 GHADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(c2)Cc2cc(Br)ccc2-3)CC1 ZINC001168736249 860705940 /nfs/dbraw/zinc/70/59/40/860705940.db2.gz CYUXWPDBEYGMLB-UHFFFAOYSA-N 2 2 385.309 3.614 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000474779002 860780503 /nfs/dbraw/zinc/78/05/03/860780503.db2.gz ZFOOVEYCNJRGNU-UHFFFAOYSA-N 2 2 398.457 3.535 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(C(C)(C)C)on3)C2)ccn1 ZINC000856605733 881581014 /nfs/dbraw/zinc/58/10/14/881581014.db2.gz YMTFJBJOLFZASV-FQEVSTJZSA-N 2 2 386.540 3.861 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(C(C)(C)C)on3)C2)ccn1 ZINC000856605733 881581026 /nfs/dbraw/zinc/58/10/26/881581026.db2.gz YMTFJBJOLFZASV-FQEVSTJZSA-N 2 2 386.540 3.861 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(C(C)(C)C)on3)C2)ccn1 ZINC000856605733 881581037 /nfs/dbraw/zinc/58/10/37/881581037.db2.gz YMTFJBJOLFZASV-FQEVSTJZSA-N 2 2 386.540 3.861 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(C(C)(C)C)on3)C2)ccn1 ZINC000856605733 881581050 /nfs/dbraw/zinc/58/10/50/881581050.db2.gz YMTFJBJOLFZASV-FQEVSTJZSA-N 2 2 386.540 3.861 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000532235132 881588256 /nfs/dbraw/zinc/58/82/56/881588256.db2.gz YYQWHIZMFRUQNQ-OXQOHEQNSA-N 2 2 378.438 3.993 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000532235132 881588263 /nfs/dbraw/zinc/58/82/63/881588263.db2.gz YYQWHIZMFRUQNQ-OXQOHEQNSA-N 2 2 378.438 3.993 20 0 GHADLP Fc1ccc(-n2cc(C[NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)nn2)cc1 ZINC000623343924 860892244 /nfs/dbraw/zinc/89/22/44/860892244.db2.gz PPOOJFCBCUUKSK-UHFFFAOYSA-N 2 2 379.483 3.682 20 0 GHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000017310180 860937852 /nfs/dbraw/zinc/93/78/52/860937852.db2.gz KVRMIQTWPMEPKV-UHFFFAOYSA-N 2 2 387.487 3.924 20 0 GHADLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2C[C@H](C)C[C@@H]2CC)c1=S ZINC000072918460 860943123 /nfs/dbraw/zinc/94/31/23/860943123.db2.gz RGRJIXDGEVINEG-MSOLQXFVSA-N 2 2 377.602 3.706 20 0 GHADLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2C[C@H](C)C[C@@H]2CC)c1=S ZINC000072918460 860943135 /nfs/dbraw/zinc/94/31/35/860943135.db2.gz RGRJIXDGEVINEG-MSOLQXFVSA-N 2 2 377.602 3.706 20 0 GHADLP Cc1c(-c2cc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)on2)cnn1C ZINC000282414808 860978072 /nfs/dbraw/zinc/97/80/72/860978072.db2.gz GIOUKERPQYASMI-QFIPXVFZSA-N 2 2 393.535 3.774 20 0 GHADLP Cc1c(-c2cc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)on2)cnn1C ZINC000282414808 860978086 /nfs/dbraw/zinc/97/80/86/860978086.db2.gz GIOUKERPQYASMI-QFIPXVFZSA-N 2 2 393.535 3.774 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)CCc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1 ZINC000192913463 861016230 /nfs/dbraw/zinc/01/62/30/861016230.db2.gz CEYUVRZWOFUNBS-GOSISDBHSA-N 2 2 396.457 3.571 20 0 GHADLP COc1cc(F)c([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000481327782 861071854 /nfs/dbraw/zinc/07/18/54/861071854.db2.gz MPNPQSASZHXJLV-INIZCTEOSA-N 2 2 388.483 3.526 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CCCN3Cc3ccccc3)CC2)cc1 ZINC000766013891 861138746 /nfs/dbraw/zinc/13/87/46/861138746.db2.gz ZKOVHVKYTJOBHU-RUZDIDTESA-N 2 2 392.591 3.976 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccccc3C[NH+](C)C)CC2)cc1 ZINC000498597380 863109279 /nfs/dbraw/zinc/10/92/79/863109279.db2.gz BLQCJZBHSLYAJF-UHFFFAOYSA-N 2 2 379.548 3.830 20 0 GHADLP O=C1[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000475050006 863109591 /nfs/dbraw/zinc/10/95/91/863109591.db2.gz SZFKMKKEEZSGAN-LJQANCHMSA-N 2 2 396.362 3.907 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000444022954 863186174 /nfs/dbraw/zinc/18/61/74/863186174.db2.gz OZLGWSLWZDDSLU-OALUTQOASA-N 2 2 380.621 3.649 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000444022954 863186180 /nfs/dbraw/zinc/18/61/80/863186180.db2.gz OZLGWSLWZDDSLU-OALUTQOASA-N 2 2 380.621 3.649 20 0 GHADLP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)oc1C ZINC000182421775 863222659 /nfs/dbraw/zinc/22/26/59/863222659.db2.gz KACWZAKWKLIGTK-UHFFFAOYSA-N 2 2 382.460 3.889 20 0 GHADLP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)oc1C ZINC000182421775 863222676 /nfs/dbraw/zinc/22/26/76/863222676.db2.gz KACWZAKWKLIGTK-UHFFFAOYSA-N 2 2 382.460 3.889 20 0 GHADLP COCCOc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1OC ZINC000120626021 881643769 /nfs/dbraw/zinc/64/37/69/881643769.db2.gz WFTQGJIGOZTZGZ-OAQYLSRUSA-N 2 2 390.568 3.664 20 0 GHADLP COCCOc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1OC ZINC000120626021 881643771 /nfs/dbraw/zinc/64/37/71/881643771.db2.gz WFTQGJIGOZTZGZ-OAQYLSRUSA-N 2 2 390.568 3.664 20 0 GHADLP COc1cccc2c1OCC[C@H]2[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766192315 863309708 /nfs/dbraw/zinc/30/97/08/863309708.db2.gz RAOKXZWAOXKMMM-OAQYLSRUSA-N 2 2 381.520 3.843 20 0 GHADLP C[NH+](C)C[C@H](O)C[NH2+][C@H](CCSc1ccc(F)cc1)c1ccc(F)cc1 ZINC000482616373 863388346 /nfs/dbraw/zinc/38/83/46/863388346.db2.gz ABJWESHSERTSMH-UYAOXDASSA-N 2 2 380.504 3.700 20 0 GHADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158466355 863842359 /nfs/dbraw/zinc/84/23/59/863842359.db2.gz GMLMAQMYINIWAN-MRXNPFEDSA-N 2 2 388.943 3.736 20 0 GHADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(-c2ccccc2)o1 ZINC000158529058 863861802 /nfs/dbraw/zinc/86/18/02/863861802.db2.gz VOVLCVXDVXKZIC-SFHVURJKSA-N 2 2 376.504 3.944 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@H](C)C1 ZINC000480097488 864053516 /nfs/dbraw/zinc/05/35/16/864053516.db2.gz XXZBDDMFDQTSHT-QHAWAJNXSA-N 2 2 377.573 3.533 20 0 GHADLP CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@H](C)C1 ZINC000480097488 864053530 /nfs/dbraw/zinc/05/35/30/864053530.db2.gz XXZBDDMFDQTSHT-QHAWAJNXSA-N 2 2 377.573 3.533 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@H](C)C1 ZINC000480097488 864053546 /nfs/dbraw/zinc/05/35/46/864053546.db2.gz XXZBDDMFDQTSHT-QHAWAJNXSA-N 2 2 377.573 3.533 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@H](C)C1 ZINC000480097488 864053562 /nfs/dbraw/zinc/05/35/62/864053562.db2.gz XXZBDDMFDQTSHT-QHAWAJNXSA-N 2 2 377.573 3.533 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366838 864350841 /nfs/dbraw/zinc/35/08/41/864350841.db2.gz WWGGNGMVBCSEGZ-HSZRJFAPSA-N 2 2 398.453 3.951 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366838 864350853 /nfs/dbraw/zinc/35/08/53/864350853.db2.gz WWGGNGMVBCSEGZ-HSZRJFAPSA-N 2 2 398.453 3.951 20 0 GHADLP CNC(=O)c1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000159221238 864425649 /nfs/dbraw/zinc/42/56/49/864425649.db2.gz KTPONHIVKGSGMF-DHIUTWEWSA-N 2 2 377.532 3.533 20 0 GHADLP CNC(=O)c1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000159221238 864425661 /nfs/dbraw/zinc/42/56/61/864425661.db2.gz KTPONHIVKGSGMF-DHIUTWEWSA-N 2 2 377.532 3.533 20 0 GHADLP CNC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000159221238 864425668 /nfs/dbraw/zinc/42/56/68/864425668.db2.gz KTPONHIVKGSGMF-DHIUTWEWSA-N 2 2 377.532 3.533 20 0 GHADLP CNC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000159221238 864425676 /nfs/dbraw/zinc/42/56/76/864425676.db2.gz KTPONHIVKGSGMF-DHIUTWEWSA-N 2 2 377.532 3.533 20 0 GHADLP COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3[nH+]cc4n3CCCC4)C1)O[C@H](C)C2 ZINC000554558744 864548902 /nfs/dbraw/zinc/54/89/02/864548902.db2.gz SYQSKRHKJPLOSQ-IAGOWNOFSA-N 2 2 381.520 3.931 20 0 GHADLP Cc1cc(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)ccc1-n1cncn1 ZINC000494483936 881781214 /nfs/dbraw/zinc/78/12/14/881781214.db2.gz OXOZZUUBJYLBLP-QHCPKHFHSA-N 2 2 375.520 3.720 20 0 GHADLP Cc1cc(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)ccc1-n1cncn1 ZINC000494483936 881781223 /nfs/dbraw/zinc/78/12/23/881781223.db2.gz OXOZZUUBJYLBLP-QHCPKHFHSA-N 2 2 375.520 3.720 20 0 GHADLP CC(C)C[C@@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)[NH2+][C@@H](C)c1ccccc1 ZINC000475291694 864723799 /nfs/dbraw/zinc/72/37/99/864723799.db2.gz PMFPFLPCZXUBMY-RXVVDRJESA-N 2 2 393.535 3.899 20 0 GHADLP COc1ccc2c(c1)C[C@@H]([NH2+]C1CC([NH+]3CCC(C(F)(F)F)CC3)C1)CC2 ZINC000475354395 864841595 /nfs/dbraw/zinc/84/15/95/864841595.db2.gz YUXXHPFRJKOSSY-VIQWUECVSA-N 2 2 382.470 3.947 20 0 GHADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000475400288 864950861 /nfs/dbraw/zinc/95/08/61/864950861.db2.gz OHYPFLRFXOURDT-OAHLLOKOSA-N 2 2 386.565 3.807 20 0 GHADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000475400288 864950865 /nfs/dbraw/zinc/95/08/65/864950865.db2.gz OHYPFLRFXOURDT-OAHLLOKOSA-N 2 2 386.565 3.807 20 0 GHADLP C[C@@H]([NH2+]C[C@H](C)N1CCN(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480617001 864954233 /nfs/dbraw/zinc/95/42/33/864954233.db2.gz NJOXGBLXXXNABH-LEWJYISDSA-N 2 2 389.547 3.734 20 0 GHADLP CCN(C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000554844307 865004825 /nfs/dbraw/zinc/00/48/25/865004825.db2.gz SYTSYLLTFNYZDV-QFIPXVFZSA-N 2 2 379.548 3.930 20 0 GHADLP CCN(C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000554844307 865004835 /nfs/dbraw/zinc/00/48/35/865004835.db2.gz SYTSYLLTFNYZDV-QFIPXVFZSA-N 2 2 379.548 3.930 20 0 GHADLP CCc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000554841649 865030501 /nfs/dbraw/zinc/03/05/01/865030501.db2.gz LSCQAMHGUHUHMO-OAQYLSRUSA-N 2 2 399.604 3.817 20 0 GHADLP CCc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000554841649 865030512 /nfs/dbraw/zinc/03/05/12/865030512.db2.gz LSCQAMHGUHUHMO-OAQYLSRUSA-N 2 2 399.604 3.817 20 0 GHADLP C[C@H]([NH2+]CCCNc1ccc(C(F)(F)F)cn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480778533 865251566 /nfs/dbraw/zinc/25/15/66/865251566.db2.gz IBTUKDBKRPZLBS-HNNXBMFYSA-N 2 2 389.425 3.861 20 0 GHADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000480775499 865275177 /nfs/dbraw/zinc/27/51/77/865275177.db2.gz YBEXDRVPXTYJAY-AUSIDOKSSA-N 2 2 379.548 3.928 20 0 GHADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000480775499 865275187 /nfs/dbraw/zinc/27/51/87/865275187.db2.gz YBEXDRVPXTYJAY-AUSIDOKSSA-N 2 2 379.548 3.928 20 0 GHADLP C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608407903 865290248 /nfs/dbraw/zinc/29/02/48/865290248.db2.gz KGWFTERZIVKXMC-PZJWPPBQSA-N 2 2 397.567 3.515 20 0 GHADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608407903 865290258 /nfs/dbraw/zinc/29/02/58/865290258.db2.gz KGWFTERZIVKXMC-PZJWPPBQSA-N 2 2 397.567 3.515 20 0 GHADLP CC(C)[C@@H](CNc1cc[nH+]c2c(Br)cccc12)[NH+]1CCN(C)CC1 ZINC000301367514 865315736 /nfs/dbraw/zinc/31/57/36/865315736.db2.gz ODPJLPKSAZJXCN-GOSISDBHSA-N 2 2 391.357 3.681 20 0 GHADLP [NH3+]C1(Cc2cccc(C(F)(F)F)c2)CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168364835 865432978 /nfs/dbraw/zinc/43/29/78/865432978.db2.gz IQALKIAMPPXZEK-UHFFFAOYSA-N 3 2 395.513 3.916 20 0 GHADLP CCC[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC(C[NH+](CC)CC)CC2)C1 ZINC000738070583 865478253 /nfs/dbraw/zinc/47/82/53/865478253.db2.gz IZGQCYZMPIGFBP-KRWDZBQOSA-N 2 2 379.614 3.826 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@@H]32)cc1 ZINC000301707590 865502601 /nfs/dbraw/zinc/50/26/01/865502601.db2.gz JBQSZDFSCNUDPW-VXKWHMMOSA-N 2 2 391.563 3.958 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@@H]32)cc1 ZINC000301707590 865502609 /nfs/dbraw/zinc/50/26/09/865502609.db2.gz JBQSZDFSCNUDPW-VXKWHMMOSA-N 2 2 391.563 3.958 20 0 GHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000301865475 865575034 /nfs/dbraw/zinc/57/50/34/865575034.db2.gz FVXNXGGBIWRFNV-SFHVURJKSA-N 2 2 378.524 3.558 20 0 GHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000301865475 865575044 /nfs/dbraw/zinc/57/50/44/865575044.db2.gz FVXNXGGBIWRFNV-SFHVURJKSA-N 2 2 378.524 3.558 20 0 GHADLP Cc1cc([C@H](C)NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)s1 ZINC000173871893 865851523 /nfs/dbraw/zinc/85/15/23/865851523.db2.gz IJDLCRVCENRBQM-KRWDZBQOSA-N 2 2 392.613 3.675 20 0 GHADLP CC[NH+]1CCN(C[C@H](C)CNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000302691630 865877991 /nfs/dbraw/zinc/87/79/91/865877991.db2.gz VJXCGJYHOWKAAI-OAHLLOKOSA-N 2 2 380.458 3.939 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481182636 865945197 /nfs/dbraw/zinc/94/51/97/865945197.db2.gz YULUXMOKGAMTSU-DPLHUUCSSA-N 2 2 393.575 3.842 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481182636 865945204 /nfs/dbraw/zinc/94/52/04/865945204.db2.gz YULUXMOKGAMTSU-DPLHUUCSSA-N 2 2 393.575 3.842 20 0 GHADLP Cc1[nH+]ccn1CCC[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153237224 866290057 /nfs/dbraw/zinc/29/00/57/866290057.db2.gz SQOPRTFTNDULOE-UHFFFAOYSA-N 2 2 381.351 3.749 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)CO[C@H]1CCCc2ccccc21 ZINC000552838484 866329533 /nfs/dbraw/zinc/32/95/33/866329533.db2.gz VDFCMJITTQSCQJ-XXBNENTESA-N 2 2 395.478 3.556 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)CO[C@@H]1CCCc2ccccc21 ZINC000552838481 866331770 /nfs/dbraw/zinc/33/17/70/866331770.db2.gz VDFCMJITTQSCQJ-AUSIDOKSSA-N 2 2 395.478 3.556 20 0 GHADLP CCC1(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000534384760 866699217 /nfs/dbraw/zinc/69/92/17/866699217.db2.gz OOGXHEVRTQOZMK-RTWAWAEBSA-N 2 2 392.632 3.935 20 0 GHADLP CCC1(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000534384760 866699222 /nfs/dbraw/zinc/69/92/22/866699222.db2.gz OOGXHEVRTQOZMK-RTWAWAEBSA-N 2 2 392.632 3.935 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCCCCCC[NH+]1CCCC1 ZINC000793188113 882003665 /nfs/dbraw/zinc/00/36/65/882003665.db2.gz WDIBIPUFNPJLAJ-UHFFFAOYSA-N 2 2 392.494 3.785 20 0 GHADLP O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000553259236 867029271 /nfs/dbraw/zinc/02/92/71/867029271.db2.gz FULMHRYABYAMLO-JOCHJYFZSA-N 2 2 390.531 3.990 20 0 GHADLP O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000553259236 867029285 /nfs/dbraw/zinc/02/92/85/867029285.db2.gz FULMHRYABYAMLO-JOCHJYFZSA-N 2 2 390.531 3.990 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000742374117 867267689 /nfs/dbraw/zinc/26/76/89/867267689.db2.gz ZAYGCBJKLZFQAM-UHFFFAOYSA-N 2 2 387.487 3.782 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000742374117 867267699 /nfs/dbraw/zinc/26/76/99/867267699.db2.gz ZAYGCBJKLZFQAM-UHFFFAOYSA-N 2 2 387.487 3.782 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000154535443 867452178 /nfs/dbraw/zinc/45/21/78/867452178.db2.gz GOAGVCXRSJUXMJ-WBVHZDCISA-N 2 2 392.594 3.501 20 0 GHADLP C/C(=C/C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000742670136 867460766 /nfs/dbraw/zinc/46/07/66/867460766.db2.gz GODQNWXQYDCMOE-PEZBUJJGSA-N 2 2 397.485 3.593 20 0 GHADLP C/C(=C/C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000742670136 867460774 /nfs/dbraw/zinc/46/07/74/867460774.db2.gz GODQNWXQYDCMOE-PEZBUJJGSA-N 2 2 397.485 3.593 20 0 GHADLP [NH3+]CCN(Cc1ccccc1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000667487809 867762973 /nfs/dbraw/zinc/76/29/73/867762973.db2.gz HNNQXSZYNOFMOC-UHFFFAOYSA-N 2 2 389.503 3.879 20 0 GHADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000479512809 867933719 /nfs/dbraw/zinc/93/37/19/867933719.db2.gz MZQACKPHKRHMRV-UEKVPHQBSA-N 2 2 392.712 3.763 20 0 GHADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000479512809 867933732 /nfs/dbraw/zinc/93/37/32/867933732.db2.gz MZQACKPHKRHMRV-UEKVPHQBSA-N 2 2 392.712 3.763 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000479550673 868011189 /nfs/dbraw/zinc/01/11/89/868011189.db2.gz AQXPRLHQBVPNHL-UHFFFAOYSA-N 2 2 384.430 3.857 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000743402413 868166877 /nfs/dbraw/zinc/16/68/77/868166877.db2.gz IEYYKSDZIWIJHY-XXBNENTESA-N 2 2 392.547 3.797 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000743402413 868166903 /nfs/dbraw/zinc/16/69/03/868166903.db2.gz IEYYKSDZIWIJHY-XXBNENTESA-N 2 2 392.547 3.797 20 0 GHADLP C[C@@H]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000535115357 868194692 /nfs/dbraw/zinc/19/46/92/868194692.db2.gz IMEPJUMHIHNNOU-XMGTWHOFSA-N 2 2 392.632 3.791 20 0 GHADLP C[C@@H]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000535115357 868194704 /nfs/dbraw/zinc/19/47/04/868194704.db2.gz IMEPJUMHIHNNOU-XMGTWHOFSA-N 2 2 392.632 3.791 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000524305202 868876697 /nfs/dbraw/zinc/87/66/97/868876697.db2.gz RQPIREYVDAEKBQ-IRXDYDNUSA-N 2 2 398.378 3.581 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000524305202 868876707 /nfs/dbraw/zinc/87/67/07/868876707.db2.gz RQPIREYVDAEKBQ-IRXDYDNUSA-N 2 2 398.378 3.581 20 0 GHADLP O=C(CC[N@H+](Cc1ccoc1)C1CCCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000525126549 870029145 /nfs/dbraw/zinc/02/91/45/870029145.db2.gz BRARIZHNVVSABS-UHFFFAOYSA-N 2 2 396.535 3.548 20 0 GHADLP O=C(CC[N@@H+](Cc1ccoc1)C1CCCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000525126549 870029160 /nfs/dbraw/zinc/02/91/60/870029160.db2.gz BRARIZHNVVSABS-UHFFFAOYSA-N 2 2 396.535 3.548 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248165930 870306196 /nfs/dbraw/zinc/30/61/96/870306196.db2.gz SXNVZRKHSSQLSO-TZRRMPRUSA-N 2 2 391.559 3.503 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248165930 870306207 /nfs/dbraw/zinc/30/62/07/870306207.db2.gz SXNVZRKHSSQLSO-TZRRMPRUSA-N 2 2 391.559 3.503 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248165930 870306218 /nfs/dbraw/zinc/30/62/18/870306218.db2.gz SXNVZRKHSSQLSO-TZRRMPRUSA-N 2 2 391.559 3.503 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248165930 870306234 /nfs/dbraw/zinc/30/62/34/870306234.db2.gz SXNVZRKHSSQLSO-TZRRMPRUSA-N 2 2 391.559 3.503 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248460414 870439110 /nfs/dbraw/zinc/43/91/10/870439110.db2.gz WMONDHSPMMAEEE-CYFREDJKSA-N 3 2 390.531 3.680 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248460414 870439116 /nfs/dbraw/zinc/43/91/16/870439116.db2.gz WMONDHSPMMAEEE-CYFREDJKSA-N 3 2 390.531 3.680 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)CCc1c[nH]c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000192913410 870455123 /nfs/dbraw/zinc/45/51/23/870455123.db2.gz CRKHRAKPBXFRTK-QGZVFWFLSA-N 2 2 382.430 3.560 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)CCc1c[nH+]c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000192913410 870455127 /nfs/dbraw/zinc/45/51/27/870455127.db2.gz CRKHRAKPBXFRTK-QGZVFWFLSA-N 2 2 382.430 3.560 20 0 GHADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000446822274 870460030 /nfs/dbraw/zinc/46/00/30/870460030.db2.gz VUJYSKINUQYOGZ-RPWUZVMVSA-N 2 2 389.547 3.972 20 0 GHADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000446822274 870460041 /nfs/dbraw/zinc/46/00/41/870460041.db2.gz VUJYSKINUQYOGZ-RPWUZVMVSA-N 2 2 389.547 3.972 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000775546853 870651426 /nfs/dbraw/zinc/65/14/26/870651426.db2.gz GISYUIVPETVIBF-CRAIPNDOSA-N 2 2 382.426 3.729 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000775546853 870651441 /nfs/dbraw/zinc/65/14/41/870651441.db2.gz GISYUIVPETVIBF-CRAIPNDOSA-N 2 2 382.426 3.729 20 0 GHADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1S(C)(=O)=O ZINC000446908135 870694629 /nfs/dbraw/zinc/69/46/29/870694629.db2.gz JRZCPNRPTGYFQO-FRIKZZABSA-N 2 2 398.572 3.684 20 0 GHADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1S(C)(=O)=O ZINC000446908135 870694643 /nfs/dbraw/zinc/69/46/43/870694643.db2.gz JRZCPNRPTGYFQO-FRIKZZABSA-N 2 2 398.572 3.684 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000249136933 870771353 /nfs/dbraw/zinc/77/13/53/870771353.db2.gz XBBJXFMRXRFIQP-FDDCHVKYSA-N 2 2 398.982 3.593 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000249136933 870771364 /nfs/dbraw/zinc/77/13/64/870771364.db2.gz XBBJXFMRXRFIQP-FDDCHVKYSA-N 2 2 398.982 3.593 20 0 GHADLP CN(C(=O)Cc1ccc(Cl)s1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000249363906 870813916 /nfs/dbraw/zinc/81/39/16/870813916.db2.gz VKXXJIXFHFHZIZ-ZWKOTPCHSA-N 2 2 398.016 3.740 20 0 GHADLP CN(C(=O)Cc1ccc(Cl)s1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000249363906 870813938 /nfs/dbraw/zinc/81/39/38/870813938.db2.gz VKXXJIXFHFHZIZ-ZWKOTPCHSA-N 2 2 398.016 3.740 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2F)[C@@H](C)C1 ZINC000249494820 870846254 /nfs/dbraw/zinc/84/62/54/870846254.db2.gz VXEBWQFIGGLEQQ-DAYGRLMNSA-N 2 2 399.938 3.533 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2F)[C@@H](C)C1 ZINC000249494820 870846263 /nfs/dbraw/zinc/84/62/63/870846263.db2.gz VXEBWQFIGGLEQQ-DAYGRLMNSA-N 2 2 399.938 3.533 20 0 GHADLP CC(C)[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000540261617 870866614 /nfs/dbraw/zinc/86/66/14/870866614.db2.gz KNNXFGCQDWNTOY-XMMPIXPASA-N 2 2 380.580 3.966 20 0 GHADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000538929867 870908386 /nfs/dbraw/zinc/90/83/86/870908386.db2.gz ZVUSKIPWUXJBRJ-JKSUJKDBSA-N 2 2 395.576 3.949 20 0 GHADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000538929867 870908391 /nfs/dbraw/zinc/90/83/91/870908391.db2.gz ZVUSKIPWUXJBRJ-JKSUJKDBSA-N 2 2 395.576 3.949 20 0 GHADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CN1Cc1ccccc1 ZINC000463191691 871097305 /nfs/dbraw/zinc/09/73/05/871097305.db2.gz NKXBCQQAHLWYCQ-OFVILXPXSA-N 2 2 377.576 3.946 20 0 GHADLP OC[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000539060768 871199388 /nfs/dbraw/zinc/19/93/88/871199388.db2.gz WCGHSHKHWUUZNC-QGZVFWFLSA-N 2 2 393.453 3.510 20 0 GHADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)N1Cc2ccccc2C1 ZINC000463243290 871249052 /nfs/dbraw/zinc/24/90/52/871249052.db2.gz NYPWYDYBLYOYAQ-YYDVJCTNSA-N 2 2 377.532 3.560 20 0 GHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)N1Cc2ccccc2C1 ZINC000463243290 871249073 /nfs/dbraw/zinc/24/90/73/871249073.db2.gz NYPWYDYBLYOYAQ-YYDVJCTNSA-N 2 2 377.532 3.560 20 0 GHADLP O=C1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CN1c1ccccc1Cl ZINC000539076152 871266680 /nfs/dbraw/zinc/26/66/80/871266680.db2.gz DUEGRDXPLBGSJV-LJQANCHMSA-N 2 2 383.923 3.700 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000525709132 871270569 /nfs/dbraw/zinc/27/05/69/871270569.db2.gz TXFUBBKXNCFKEW-DYVFJYSZSA-N 2 2 391.357 3.824 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000525709132 871270588 /nfs/dbraw/zinc/27/05/88/871270588.db2.gz TXFUBBKXNCFKEW-DYVFJYSZSA-N 2 2 391.357 3.824 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1nc2ccccc2n1C ZINC000091307333 871272222 /nfs/dbraw/zinc/27/22/22/871272222.db2.gz QDQTWKWKPKYVGP-MSOLQXFVSA-N 2 2 378.520 3.645 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1nc2ccccc2n1C ZINC000091307333 871272240 /nfs/dbraw/zinc/27/22/40/871272240.db2.gz QDQTWKWKPKYVGP-MSOLQXFVSA-N 2 2 378.520 3.645 20 0 GHADLP C[C@@H]1C[N@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC001169687148 871757315 /nfs/dbraw/zinc/75/73/15/871757315.db2.gz PTDSPGWWTNUDFH-IEZKXTBUSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1C[N@@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC001169687148 871757326 /nfs/dbraw/zinc/75/73/26/871757326.db2.gz PTDSPGWWTNUDFH-IEZKXTBUSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1C[NH+](C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC001169687148 871757340 /nfs/dbraw/zinc/75/73/40/871757340.db2.gz PTDSPGWWTNUDFH-IEZKXTBUSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@@H]1C[NH+](C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC001169687148 871757352 /nfs/dbraw/zinc/75/73/52/871757352.db2.gz PTDSPGWWTNUDFH-IEZKXTBUSA-N 2 2 394.559 3.782 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000462174106 871766569 /nfs/dbraw/zinc/76/65/69/871766569.db2.gz FVIWLAFGIHLRSY-SJLPKXTDSA-N 2 2 380.602 3.503 20 0 GHADLP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000447537097 871804654 /nfs/dbraw/zinc/80/46/54/871804654.db2.gz SNAAYHHQWGGWFV-IXDOHACOSA-N 2 2 386.492 3.526 20 0 GHADLP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000447537097 871804674 /nfs/dbraw/zinc/80/46/74/871804674.db2.gz SNAAYHHQWGGWFV-IXDOHACOSA-N 2 2 386.492 3.526 20 0 GHADLP Cc1ccc(N2CCC[C@@H]([NH+]3CCC(Oc4cc[nH+]cc4C)CC3)C2=O)cc1 ZINC001169781108 871871037 /nfs/dbraw/zinc/87/10/37/871871037.db2.gz SDJHZOMMRJNDLX-OAQYLSRUSA-N 2 2 379.504 3.737 20 0 GHADLP CN(c1ccccc1C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1)C1CC[NH+](C)CC1 ZINC000092975721 871893985 /nfs/dbraw/zinc/89/39/85/871893985.db2.gz YOADCCZQRHITRG-DEOSSOPVSA-N 2 2 397.538 3.930 20 0 GHADLP CN(c1ccccc1C[N@H+]1CCO[C@H](c2cccc(F)c2)C1)C1CC[NH+](C)CC1 ZINC000092975721 871894001 /nfs/dbraw/zinc/89/40/01/871894001.db2.gz YOADCCZQRHITRG-DEOSSOPVSA-N 2 2 397.538 3.930 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC001195065627 872144408 /nfs/dbraw/zinc/14/44/08/872144408.db2.gz UAMPUKTZBDOAKP-OAQYLSRUSA-N 2 2 388.502 3.712 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC001195065627 872144419 /nfs/dbraw/zinc/14/44/19/872144419.db2.gz UAMPUKTZBDOAKP-OAQYLSRUSA-N 2 2 388.502 3.712 20 0 GHADLP CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093422422 872171779 /nfs/dbraw/zinc/17/17/79/872171779.db2.gz ZBIOEXXOCVWQAB-FQEVSTJZSA-N 2 2 387.959 3.711 20 0 GHADLP CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093422422 872171788 /nfs/dbraw/zinc/17/17/88/872171788.db2.gz ZBIOEXXOCVWQAB-FQEVSTJZSA-N 2 2 387.959 3.711 20 0 GHADLP C[C@H](C[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)NC(=O)OC(C)(C)C ZINC000367395412 872349837 /nfs/dbraw/zinc/34/98/37/872349837.db2.gz BJTGCLZODWWEBU-KSZLIROESA-N 2 2 390.572 3.888 20 0 GHADLP CCSc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000552341142 872497657 /nfs/dbraw/zinc/49/76/57/872497657.db2.gz GLVPGBMZUPXFGL-UXDRXVOSSA-N 2 2 375.582 3.533 20 0 GHADLP CCSc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000552341142 872497660 /nfs/dbraw/zinc/49/76/60/872497660.db2.gz GLVPGBMZUPXFGL-UXDRXVOSSA-N 2 2 375.582 3.533 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000552357806 872549499 /nfs/dbraw/zinc/54/94/99/872549499.db2.gz RLPAZEVLDRHHJH-QHCPKHFHSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000552357806 872549511 /nfs/dbraw/zinc/54/95/11/872549511.db2.gz RLPAZEVLDRHHJH-QHCPKHFHSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000552357806 872549520 /nfs/dbraw/zinc/54/95/20/872549520.db2.gz RLPAZEVLDRHHJH-QHCPKHFHSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000552357806 872549532 /nfs/dbraw/zinc/54/95/32/872549532.db2.gz RLPAZEVLDRHHJH-QHCPKHFHSA-N 2 2 381.520 3.587 20 0 GHADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccsc2Br)c2ccccc2)CC1 ZINC000527651425 873403140 /nfs/dbraw/zinc/40/31/40/873403140.db2.gz BOKJZMDOLZCPLP-QGZVFWFLSA-N 2 2 394.382 3.589 20 0 GHADLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC001196935065 873457970 /nfs/dbraw/zinc/45/79/70/873457970.db2.gz FSVDEPJQXSCHAW-QFIPXVFZSA-N 2 2 383.580 3.764 20 0 GHADLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC001196935065 873457975 /nfs/dbraw/zinc/45/79/75/873457975.db2.gz FSVDEPJQXSCHAW-QFIPXVFZSA-N 2 2 383.580 3.764 20 0 GHADLP COc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)ccc1OCc1c(C)noc1C ZINC000527809094 873594643 /nfs/dbraw/zinc/59/46/43/873594643.db2.gz SKWJLPLWHQWOHC-HXUWFJFHSA-N 2 2 399.535 3.986 20 0 GHADLP COc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)ccc1OCc1c(C)noc1C ZINC000527809094 873594651 /nfs/dbraw/zinc/59/46/51/873594651.db2.gz SKWJLPLWHQWOHC-HXUWFJFHSA-N 2 2 399.535 3.986 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000527849338 873706823 /nfs/dbraw/zinc/70/68/23/873706823.db2.gz SQZOAKLVGQTEHZ-IBGZPJMESA-N 2 2 390.531 3.770 20 0 GHADLP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cc(-c2ccccc2)n(C)n1 ZINC000527897323 873732115 /nfs/dbraw/zinc/73/21/15/873732115.db2.gz GBBXOMSBSLBGSV-SFHVURJKSA-N 2 2 393.535 3.663 20 0 GHADLP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000541537665 873790016 /nfs/dbraw/zinc/79/00/16/873790016.db2.gz ZPBDYJHVLPFINJ-JOCHJYFZSA-N 3 2 389.547 3.920 20 0 GHADLP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000541537665 873790027 /nfs/dbraw/zinc/79/00/27/873790027.db2.gz ZPBDYJHVLPFINJ-JOCHJYFZSA-N 3 2 389.547 3.920 20 0 GHADLP CC[NH+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541537665 873790037 /nfs/dbraw/zinc/79/00/37/873790037.db2.gz ZPBDYJHVLPFINJ-JOCHJYFZSA-N 3 2 389.547 3.920 20 0 GHADLP CC[NH+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541537665 873790054 /nfs/dbraw/zinc/79/00/54/873790054.db2.gz ZPBDYJHVLPFINJ-JOCHJYFZSA-N 3 2 389.547 3.920 20 0 GHADLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000527946742 873791588 /nfs/dbraw/zinc/79/15/88/873791588.db2.gz IOSHWXQEQSOICW-CTNGQTDRSA-N 2 2 387.568 3.601 20 0 GHADLP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000527946742 873791596 /nfs/dbraw/zinc/79/15/96/873791596.db2.gz IOSHWXQEQSOICW-CTNGQTDRSA-N 2 2 387.568 3.601 20 0 GHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCc3ccsc3[C@@H]2C)CC1 ZINC001197432490 873809886 /nfs/dbraw/zinc/80/98/86/873809886.db2.gz XLJKUCQUMMUBSM-IBGZPJMESA-N 2 2 397.588 3.710 20 0 GHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCc3ccsc3[C@@H]2C)CC1 ZINC001197432490 873809899 /nfs/dbraw/zinc/80/98/99/873809899.db2.gz XLJKUCQUMMUBSM-IBGZPJMESA-N 2 2 397.588 3.710 20 0 GHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCc3ccsc3[C@@H]2C)CC1 ZINC001197432490 873809915 /nfs/dbraw/zinc/80/99/15/873809915.db2.gz XLJKUCQUMMUBSM-IBGZPJMESA-N 2 2 397.588 3.710 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCc3ccsc3[C@@H]2C)CC1 ZINC001197432490 873809933 /nfs/dbraw/zinc/80/99/33/873809933.db2.gz XLJKUCQUMMUBSM-IBGZPJMESA-N 2 2 397.588 3.710 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2)cc1 ZINC001198007069 874158695 /nfs/dbraw/zinc/15/86/95/874158695.db2.gz JMZTWGGTSCKGSL-UHFFFAOYSA-N 2 2 391.519 3.508 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2)cc1 ZINC001198007069 874158704 /nfs/dbraw/zinc/15/87/04/874158704.db2.gz JMZTWGGTSCKGSL-UHFFFAOYSA-N 2 2 391.519 3.508 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NCc2cccc3ncccc23)cc1 ZINC001198030728 874188540 /nfs/dbraw/zinc/18/85/40/874188540.db2.gz OPYMQYAOHLKQTP-UHFFFAOYSA-N 2 2 390.531 3.548 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NCc2cccc3ncccc23)cc1 ZINC001198030728 874188546 /nfs/dbraw/zinc/18/85/46/874188546.db2.gz OPYMQYAOHLKQTP-UHFFFAOYSA-N 2 2 390.531 3.548 20 0 GHADLP Cc1ccc([C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CCCC2)o1 ZINC000541735498 874193707 /nfs/dbraw/zinc/19/37/07/874193707.db2.gz WCMCMHYCTALBAM-HSZRJFAPSA-N 2 2 396.535 3.543 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H](c3ccccc3)c3cncnc3)c2)CCO1 ZINC000541741445 874202642 /nfs/dbraw/zinc/20/26/42/874202642.db2.gz JOVDOSNDNPGZRB-DVECYGJZSA-N 2 2 388.515 3.577 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H](c3ccccc3)c3cncnc3)c2)CCO1 ZINC000541741445 874202653 /nfs/dbraw/zinc/20/26/53/874202653.db2.gz JOVDOSNDNPGZRB-DVECYGJZSA-N 2 2 388.515 3.577 20 0 GHADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000769684521 874206195 /nfs/dbraw/zinc/20/61/95/874206195.db2.gz NMRSTYFQPCOOOV-SJORKVTESA-N 2 2 385.618 3.629 20 0 GHADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)NC(=O)OC(C)(C)C ZINC000769696861 874238471 /nfs/dbraw/zinc/23/84/71/874238471.db2.gz PNDLTFNVLBUDHL-GJZGRUSLSA-N 2 2 376.476 3.793 20 0 GHADLP C[C@H]1CCc2sc(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)cc2C1 ZINC000460487242 882820599 /nfs/dbraw/zinc/82/05/99/882820599.db2.gz LDTSLGCEYKUJRP-KRWDZBQOSA-N 2 2 389.609 3.553 20 0 GHADLP Fc1c(Br)cccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000449027561 874366267 /nfs/dbraw/zinc/36/62/67/874366267.db2.gz JCDWSVBSEYZWKO-UHFFFAOYSA-N 2 2 385.321 3.665 20 0 GHADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000464788209 874496997 /nfs/dbraw/zinc/49/69/97/874496997.db2.gz HLUSLOJWGAFXPR-KNQAVFIVSA-N 2 2 385.596 3.921 20 0 GHADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000464788209 874497002 /nfs/dbraw/zinc/49/70/02/874497002.db2.gz HLUSLOJWGAFXPR-KNQAVFIVSA-N 2 2 385.596 3.921 20 0 GHADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000464788209 874497009 /nfs/dbraw/zinc/49/70/09/874497009.db2.gz HLUSLOJWGAFXPR-KNQAVFIVSA-N 2 2 385.596 3.921 20 0 GHADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000464788209 874497017 /nfs/dbraw/zinc/49/70/17/874497017.db2.gz HLUSLOJWGAFXPR-KNQAVFIVSA-N 2 2 385.596 3.921 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449208104 874587892 /nfs/dbraw/zinc/58/78/92/874587892.db2.gz NYRLDEJCBLQNAI-QGZVFWFLSA-N 2 2 393.510 3.936 20 0 GHADLP C[C@H](CNC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000464847418 874630670 /nfs/dbraw/zinc/63/06/70/874630670.db2.gz LHVHHAVJRCJLFV-FUPPJEDESA-N 2 2 393.575 3.749 20 0 GHADLP C[C@H](CNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000464847418 874630674 /nfs/dbraw/zinc/63/06/74/874630674.db2.gz LHVHHAVJRCJLFV-FUPPJEDESA-N 2 2 393.575 3.749 20 0 GHADLP C[C@H](CNC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000464847418 874630678 /nfs/dbraw/zinc/63/06/78/874630678.db2.gz LHVHHAVJRCJLFV-FUPPJEDESA-N 2 2 393.575 3.749 20 0 GHADLP C[C@H](CNC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000464847418 874630682 /nfs/dbraw/zinc/63/06/82/874630682.db2.gz LHVHHAVJRCJLFV-FUPPJEDESA-N 2 2 393.575 3.749 20 0 GHADLP COc1ccc(-n2cc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cn2)cc1 ZINC000449307931 874697010 /nfs/dbraw/zinc/69/70/10/874697010.db2.gz SMCRJAQENMUUOJ-IBGZPJMESA-N 2 2 391.519 3.793 20 0 GHADLP COc1ccc(-n2cc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cn2)cc1 ZINC000449307931 874697017 /nfs/dbraw/zinc/69/70/17/874697017.db2.gz SMCRJAQENMUUOJ-IBGZPJMESA-N 2 2 391.519 3.793 20 0 GHADLP Cn1cc(C[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)c(-c2cccnc2)n1 ZINC000449470962 874903735 /nfs/dbraw/zinc/90/37/35/874903735.db2.gz BVETVOJTVJEKMX-UHFFFAOYSA-N 2 2 375.520 3.626 20 0 GHADLP Cn1cc(C[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)c(-c2cccnc2)n1 ZINC000449470962 874903743 /nfs/dbraw/zinc/90/37/43/874903743.db2.gz BVETVOJTVJEKMX-UHFFFAOYSA-N 2 2 375.520 3.626 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000449494079 874950362 /nfs/dbraw/zinc/95/03/62/874950362.db2.gz GBWNOXUOYSDZRD-PKOBYXMFSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000449494079 874950365 /nfs/dbraw/zinc/95/03/65/874950365.db2.gz GBWNOXUOYSDZRD-PKOBYXMFSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000449494079 874950370 /nfs/dbraw/zinc/95/03/70/874950370.db2.gz GBWNOXUOYSDZRD-PKOBYXMFSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000449494079 874950376 /nfs/dbraw/zinc/95/03/76/874950376.db2.gz GBWNOXUOYSDZRD-PKOBYXMFSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccc(C(C)(C)C)s3)C2)CC1 ZINC000449499427 874960737 /nfs/dbraw/zinc/96/07/37/874960737.db2.gz MAZCPGZOKFWEDC-IBGZPJMESA-N 2 2 391.625 3.812 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccc(C(C)(C)C)s3)C2)CC1 ZINC000449499427 874960751 /nfs/dbraw/zinc/96/07/51/874960751.db2.gz MAZCPGZOKFWEDC-IBGZPJMESA-N 2 2 391.625 3.812 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(C(C)(C)C)s3)C2)CC1 ZINC000449499427 874960762 /nfs/dbraw/zinc/96/07/62/874960762.db2.gz MAZCPGZOKFWEDC-IBGZPJMESA-N 2 2 391.625 3.812 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(C(C)(C)C)s3)C2)CC1 ZINC000449499427 874960777 /nfs/dbraw/zinc/96/07/77/874960777.db2.gz MAZCPGZOKFWEDC-IBGZPJMESA-N 2 2 391.625 3.812 20 0 GHADLP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C12CCC2 ZINC000449519658 874989868 /nfs/dbraw/zinc/98/98/68/874989868.db2.gz CEGCBOVYCDLODX-VXKWHMMOSA-N 2 2 385.552 3.547 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@@H](C)CC3CCOCC3)CC2)cc1 ZINC000449523868 874998068 /nfs/dbraw/zinc/99/80/68/874998068.db2.gz MFSQPQNHLRXWDM-SFHVURJKSA-N 2 2 387.568 3.652 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)Cc3ccc(F)cc3)CC2)cc1 ZINC000449524504 875000168 /nfs/dbraw/zinc/00/01/68/875000168.db2.gz OHMZGQSEJWCWRC-KRWDZBQOSA-N 2 2 383.511 3.969 20 0 GHADLP CC(C)[C@H](CNC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000542131927 875026687 /nfs/dbraw/zinc/02/66/87/875026687.db2.gz BFUYMNAHSDFGAW-QHCPKHFHSA-N 2 2 396.579 3.931 20 0 GHADLP O[C@H](COc1cccc2ccccc21)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542131339 875028183 /nfs/dbraw/zinc/02/81/83/875028183.db2.gz CLZGBSHTUXDFEN-QFIPXVFZSA-N 2 2 393.531 3.968 20 0 GHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000542133167 875031047 /nfs/dbraw/zinc/03/10/47/875031047.db2.gz GAGNWCJJPNOEEH-RBUKOAKNSA-N 2 2 377.532 3.733 20 0 GHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000542133167 875031060 /nfs/dbraw/zinc/03/10/60/875031060.db2.gz GAGNWCJJPNOEEH-RBUKOAKNSA-N 2 2 377.532 3.733 20 0 GHADLP CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000542135550 875034587 /nfs/dbraw/zinc/03/45/87/875034587.db2.gz UUXDHSONNXIDEE-SFHVURJKSA-N 2 2 384.524 3.801 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(Br)s1 ZINC000178638906 882928229 /nfs/dbraw/zinc/92/82/29/882928229.db2.gz RNDHLVFYCTVINR-YOEHRIQHSA-N 2 2 394.382 3.948 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(Br)s1 ZINC000178638906 882928231 /nfs/dbraw/zinc/92/82/31/882928231.db2.gz RNDHLVFYCTVINR-YOEHRIQHSA-N 2 2 394.382 3.948 20 0 GHADLP C[C@@H](c1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c1)[NH+]1CCOCC1 ZINC000449846237 875510089 /nfs/dbraw/zinc/51/00/89/875510089.db2.gz WTVWLSAGCMBKRM-AVRDEDQJSA-N 2 2 385.552 3.815 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000491363816 875642747 /nfs/dbraw/zinc/64/27/47/875642747.db2.gz YDWCMEJGEXRFNO-QHCPKHFHSA-N 2 2 389.547 3.717 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000491363816 875642751 /nfs/dbraw/zinc/64/27/51/875642751.db2.gz YDWCMEJGEXRFNO-QHCPKHFHSA-N 2 2 389.547 3.717 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC001201671129 875807696 /nfs/dbraw/zinc/80/76/96/875807696.db2.gz CEERLFQFBSKHNT-HXUWFJFHSA-N 2 2 387.568 3.683 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC001201671129 875807709 /nfs/dbraw/zinc/80/77/09/875807709.db2.gz CEERLFQFBSKHNT-HXUWFJFHSA-N 2 2 387.568 3.683 20 0 GHADLP Cc1c2cccc(C)c2oc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172752988 875900253 /nfs/dbraw/zinc/90/02/53/875900253.db2.gz DIDHAYFRFNGYFM-UHFFFAOYSA-N 2 2 383.536 3.730 20 0 GHADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000179478320 883002020 /nfs/dbraw/zinc/00/20/20/883002020.db2.gz KQNKMVXELNYAAQ-LQWHRVPQSA-N 2 2 391.519 3.735 20 0 GHADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000179478320 883002035 /nfs/dbraw/zinc/00/20/35/883002035.db2.gz KQNKMVXELNYAAQ-LQWHRVPQSA-N 2 2 391.519 3.735 20 0 GHADLP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1OC ZINC000179507353 883005036 /nfs/dbraw/zinc/00/50/36/883005036.db2.gz KDXAEPLMALQNTC-IPJJNNNSSA-N 2 2 397.563 3.778 20 0 GHADLP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1OC ZINC000179507353 883005057 /nfs/dbraw/zinc/00/50/57/883005057.db2.gz KDXAEPLMALQNTC-IPJJNNNSSA-N 2 2 397.563 3.778 20 0 GHADLP CC(C)(c1ccccc1)C1([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC001202397616 876199492 /nfs/dbraw/zinc/19/94/92/876199492.db2.gz JUZWQXZPLPWINS-UHFFFAOYSA-N 2 2 394.559 3.998 20 0 GHADLP CCc1oc2ccccc2c1CC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000529500416 876222625 /nfs/dbraw/zinc/22/26/25/876222625.db2.gz SEIBQMWKVDGXJN-UHFFFAOYSA-N 2 2 397.563 3.556 20 0 GHADLP CCc1oc2ccccc2c1CC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000529500416 876222633 /nfs/dbraw/zinc/22/26/33/876222633.db2.gz SEIBQMWKVDGXJN-UHFFFAOYSA-N 2 2 397.563 3.556 20 0 GHADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccsc2C(F)(F)F)c2ccccc2)CC1 ZINC000529534438 876273169 /nfs/dbraw/zinc/27/31/69/876273169.db2.gz CGFRQHTTWUVORE-KRWDZBQOSA-N 2 2 383.483 3.845 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000529543428 876295075 /nfs/dbraw/zinc/29/50/75/876295075.db2.gz AJYBAMITVBYLAE-DLBZAZTESA-N 2 2 384.467 3.740 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000529543428 876295079 /nfs/dbraw/zinc/29/50/79/876295079.db2.gz AJYBAMITVBYLAE-DLBZAZTESA-N 2 2 384.467 3.740 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](C)[C@H]3OCCc4sccc43)sc2C1 ZINC000492228214 876455813 /nfs/dbraw/zinc/45/58/13/876455813.db2.gz UKTOXYYBIGQNGJ-BFUOFWGJSA-N 2 2 377.579 3.763 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](C)[C@H]3OCCc4sccc43)sc2C1 ZINC000492228214 876455820 /nfs/dbraw/zinc/45/58/20/876455820.db2.gz UKTOXYYBIGQNGJ-BFUOFWGJSA-N 2 2 377.579 3.763 20 0 GHADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000108428106 876467157 /nfs/dbraw/zinc/46/71/57/876467157.db2.gz BRLLZKPMCDMNPA-HNNXBMFYSA-N 2 2 381.351 3.978 20 0 GHADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000108428106 876467162 /nfs/dbraw/zinc/46/71/62/876467162.db2.gz BRLLZKPMCDMNPA-HNNXBMFYSA-N 2 2 381.351 3.978 20 0 GHADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000786836859 876955668 /nfs/dbraw/zinc/95/56/68/876955668.db2.gz PMTNPLMXLLZJCS-DYESRHJHSA-N 2 2 389.503 3.584 20 0 GHADLP Brc1ccc(C2CC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000850559232 877026038 /nfs/dbraw/zinc/02/60/38/877026038.db2.gz YGIOMZRBXFQORH-PPSBMQLTSA-N 2 2 379.342 3.538 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H](C)O1 ZINC000174677186 877164703 /nfs/dbraw/zinc/16/47/03/877164703.db2.gz YMVZUGGMJBUOHJ-QZTJIDSGSA-N 2 2 381.520 3.610 20 0 GHADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134919586 883109932 /nfs/dbraw/zinc/10/99/32/883109932.db2.gz IRJJSAJSKSESIC-IFMALSPDSA-N 2 2 383.580 3.762 20 0 GHADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134919586 883109937 /nfs/dbraw/zinc/10/99/37/883109937.db2.gz IRJJSAJSKSESIC-IFMALSPDSA-N 2 2 383.580 3.762 20 0 GHADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134919586 883109942 /nfs/dbraw/zinc/10/99/42/883109942.db2.gz IRJJSAJSKSESIC-IFMALSPDSA-N 2 2 383.580 3.762 20 0 GHADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134919586 883109947 /nfs/dbraw/zinc/10/99/47/883109947.db2.gz IRJJSAJSKSESIC-IFMALSPDSA-N 2 2 383.580 3.762 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000530223568 877309598 /nfs/dbraw/zinc/30/95/98/877309598.db2.gz SVFWVDGKKRNMCU-UWJYYQICSA-N 2 2 376.504 3.849 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc(CC[NH+]3CCCC3)c1)C2 ZINC000530288969 877449334 /nfs/dbraw/zinc/44/93/34/877449334.db2.gz NXDALNOCATXADM-GOSISDBHSA-N 2 2 380.536 3.915 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc(CC[NH+]3CCCC3)c1)CC2 ZINC000530288969 877449344 /nfs/dbraw/zinc/44/93/44/877449344.db2.gz NXDALNOCATXADM-GOSISDBHSA-N 2 2 380.536 3.915 20 0 GHADLP C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1cccc(OCC[NH+](C)C)c1 ZINC000530366180 877637934 /nfs/dbraw/zinc/63/79/34/877637934.db2.gz ZKQQNYHKZYWOBF-OTWHNJEPSA-N 2 2 398.551 3.809 20 0 GHADLP Fc1ccc(C2([NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CCOCC2)cc1 ZINC000551699299 877664137 /nfs/dbraw/zinc/66/41/37/877664137.db2.gz XBPFHYUOMWBLSA-HSZRJFAPSA-N 2 2 398.522 3.712 20 0 GHADLP Fc1ccc(C2([NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CCOCC2)cc1 ZINC000551699299 877664148 /nfs/dbraw/zinc/66/41/48/877664148.db2.gz XBPFHYUOMWBLSA-HSZRJFAPSA-N 2 2 398.522 3.712 20 0 GHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000285397727 912275774 /nfs/dbraw/zinc/27/57/74/912275774.db2.gz IBHNMFMYLBRYFA-NEPJUHHUSA-N 2 2 388.821 3.951 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477606925 877922233 /nfs/dbraw/zinc/92/22/33/877922233.db2.gz JQUVKJKUKOLRMC-JEBQAFNWSA-N 2 2 383.939 3.897 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477606925 877922244 /nfs/dbraw/zinc/92/22/44/877922244.db2.gz JQUVKJKUKOLRMC-JEBQAFNWSA-N 2 2 383.939 3.897 20 0 GHADLP O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000788251927 877956796 /nfs/dbraw/zinc/95/67/96/877956796.db2.gz ZGZKEOPZZYWJPJ-UTKZUKDTSA-N 2 2 384.568 3.838 20 0 GHADLP O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000788251927 877956814 /nfs/dbraw/zinc/95/68/14/877956814.db2.gz ZGZKEOPZZYWJPJ-UTKZUKDTSA-N 2 2 384.568 3.838 20 0 GHADLP C[C@@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477655939 877999595 /nfs/dbraw/zinc/99/95/95/877999595.db2.gz WEMWMZABBVQNQN-KSZLIROESA-N 2 2 384.524 3.619 20 0 GHADLP C[C@@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477655939 877999601 /nfs/dbraw/zinc/99/96/01/877999601.db2.gz WEMWMZABBVQNQN-KSZLIROESA-N 2 2 384.524 3.619 20 0 GHADLP COC(=O)/C=C\c1ccc(OCC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000852116537 878083277 /nfs/dbraw/zinc/08/32/77/878083277.db2.gz QDJLNDBOPVDCBY-XFXZXTDPSA-N 2 2 394.515 3.506 20 0 GHADLP COC(=O)/C=C/c1ccc(OCC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000852116536 878083756 /nfs/dbraw/zinc/08/37/56/878083756.db2.gz QDJLNDBOPVDCBY-FMIVXFBMSA-N 2 2 394.515 3.506 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000530572354 878088234 /nfs/dbraw/zinc/08/82/34/878088234.db2.gz WDTDEUDVDUIAJU-UHFFFAOYSA-N 2 2 388.515 3.618 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000451525625 878089366 /nfs/dbraw/zinc/08/93/66/878089366.db2.gz GKODTEALKLUIKB-PGRDOPGGSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000451525625 878089384 /nfs/dbraw/zinc/08/93/84/878089384.db2.gz GKODTEALKLUIKB-PGRDOPGGSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000451525625 878089398 /nfs/dbraw/zinc/08/93/98/878089398.db2.gz GKODTEALKLUIKB-PGRDOPGGSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000451525625 878089416 /nfs/dbraw/zinc/08/94/16/878089416.db2.gz GKODTEALKLUIKB-PGRDOPGGSA-N 2 2 389.971 3.594 20 0 GHADLP CN(C(=O)Nc1ccc(F)c(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245572616 878131671 /nfs/dbraw/zinc/13/16/71/878131671.db2.gz CKCHTVQYKVMIJN-WOJBJXKFSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1ccc(F)c(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245572616 878131679 /nfs/dbraw/zinc/13/16/79/878131679.db2.gz CKCHTVQYKVMIJN-WOJBJXKFSA-N 2 2 394.510 3.766 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000537748496 878204277 /nfs/dbraw/zinc/20/42/77/878204277.db2.gz HWZIFMOSHXFIDH-UHFFFAOYSA-N 2 2 380.923 3.930 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC001170086925 878206335 /nfs/dbraw/zinc/20/63/35/878206335.db2.gz ZPSAFLIYHDAVKY-MRXNPFEDSA-N 2 2 390.549 3.952 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC001170086925 878206341 /nfs/dbraw/zinc/20/63/41/878206341.db2.gz ZPSAFLIYHDAVKY-MRXNPFEDSA-N 2 2 390.549 3.952 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC001170086925 878206354 /nfs/dbraw/zinc/20/63/54/878206354.db2.gz ZPSAFLIYHDAVKY-MRXNPFEDSA-N 2 2 390.549 3.952 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001170086925 878206369 /nfs/dbraw/zinc/20/63/69/878206369.db2.gz ZPSAFLIYHDAVKY-MRXNPFEDSA-N 2 2 390.549 3.952 20 0 GHADLP Brc1cnc2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000924645090 878345504 /nfs/dbraw/zinc/34/55/04/878345504.db2.gz DKGRWIQYIVRNTF-INIZCTEOSA-N 2 2 375.314 3.587 20 0 GHADLP CN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245693195 878404096 /nfs/dbraw/zinc/40/40/96/878404096.db2.gz KASYZCHJABQMQR-LEWJYISDSA-N 2 2 391.987 3.678 20 0 GHADLP CN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245693195 878404107 /nfs/dbraw/zinc/40/41/07/878404107.db2.gz KASYZCHJABQMQR-LEWJYISDSA-N 2 2 391.987 3.678 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@@H](C)c1ccc(Cl)cc1 ZINC000285580237 912347407 /nfs/dbraw/zinc/34/74/07/912347407.db2.gz HEVWZLJXTGUORS-SVVLGYAFSA-N 2 2 377.960 3.505 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@@H](C)c1ccc(Cl)cc1 ZINC000285580237 912347427 /nfs/dbraw/zinc/34/74/27/912347427.db2.gz HEVWZLJXTGUORS-SVVLGYAFSA-N 2 2 377.960 3.505 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1sccc1Br ZINC000537962269 878596429 /nfs/dbraw/zinc/59/64/29/878596429.db2.gz RWBAQHXMQCQMSN-MAZHCROVSA-N 2 2 387.387 3.929 20 0 GHADLP CC[NH+](CC)Cc1csc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000746838021 879149618 /nfs/dbraw/zinc/14/96/18/879149618.db2.gz XGFTXIHJBKVEOX-SFHVURJKSA-N 2 2 386.565 3.836 20 0 GHADLP CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@@H+]1CCc1c[nH+]cn1C ZINC001168459718 879643880 /nfs/dbraw/zinc/64/38/80/879643880.db2.gz UPHWOEXHJNTEGU-IBGZPJMESA-N 2 2 380.458 3.972 20 0 GHADLP CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CC[N@H+]1CCc1c[nH+]cn1C ZINC001168459718 879643884 /nfs/dbraw/zinc/64/38/84/879643884.db2.gz UPHWOEXHJNTEGU-IBGZPJMESA-N 2 2 380.458 3.972 20 0 GHADLP O=C1O[C@]2(CN1C[N@H+](Cc1ccc3ccccc3c1)C1CC1)C[NH+]1CCC2CC1 ZINC000790374458 879678367 /nfs/dbraw/zinc/67/83/67/879678367.db2.gz ZASXJZUAEKMRMT-DEOSSOPVSA-N 2 2 391.515 3.678 20 0 GHADLP O=C1O[C@]2(CN1C[N@@H+](Cc1ccc3ccccc3c1)C1CC1)C[NH+]1CCC2CC1 ZINC000790374458 879678379 /nfs/dbraw/zinc/67/83/79/879678379.db2.gz ZASXJZUAEKMRMT-DEOSSOPVSA-N 2 2 391.515 3.678 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)NC1CC[NH+](C2CCCC2)CC1 ZINC000531377970 879691239 /nfs/dbraw/zinc/69/12/39/879691239.db2.gz PYYVWQZIFHBSPE-UHFFFAOYSA-N 2 2 391.585 3.658 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)ccc2[nH+]1 ZINC000531422767 879802402 /nfs/dbraw/zinc/80/24/02/879802402.db2.gz BLEDEXNDFQMZGV-OXQOHEQNSA-N 2 2 377.492 3.675 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)ccc2[nH+]1 ZINC000531422767 879802426 /nfs/dbraw/zinc/80/24/26/879802426.db2.gz BLEDEXNDFQMZGV-OXQOHEQNSA-N 2 2 377.492 3.675 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246898516 879843568 /nfs/dbraw/zinc/84/35/68/879843568.db2.gz MGFSKPGHJDTWMX-OIBXWCBGSA-N 2 2 391.559 3.697 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246898516 879843579 /nfs/dbraw/zinc/84/35/79/879843579.db2.gz MGFSKPGHJDTWMX-OIBXWCBGSA-N 2 2 391.559 3.697 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246898516 879843589 /nfs/dbraw/zinc/84/35/89/879843589.db2.gz MGFSKPGHJDTWMX-OIBXWCBGSA-N 2 2 391.559 3.697 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246898516 879843608 /nfs/dbraw/zinc/84/36/08/879843608.db2.gz MGFSKPGHJDTWMX-OIBXWCBGSA-N 2 2 391.559 3.697 20 0 GHADLP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000531438609 879855046 /nfs/dbraw/zinc/85/50/46/879855046.db2.gz YDCPXXMLCJKVAR-SFHVURJKSA-N 2 2 375.900 3.885 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000246992866 879875762 /nfs/dbraw/zinc/87/57/62/879875762.db2.gz JLSYDCPOXBQGLY-AGHHOFFYSA-N 2 2 384.955 3.814 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000246992866 879875780 /nfs/dbraw/zinc/87/57/80/879875780.db2.gz JLSYDCPOXBQGLY-AGHHOFFYSA-N 2 2 384.955 3.814 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC000247370281 879983107 /nfs/dbraw/zinc/98/31/07/879983107.db2.gz HQRGXWWYFDHVLL-NPPFBWRTSA-N 2 2 376.504 3.797 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC000247370281 879983126 /nfs/dbraw/zinc/98/31/26/879983126.db2.gz HQRGXWWYFDHVLL-NPPFBWRTSA-N 2 2 376.504 3.797 20 0 GHADLP c1cc(-c2nc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)cs2)co1 ZINC000182978968 880046480 /nfs/dbraw/zinc/04/64/80/880046480.db2.gz ZBSZQEYZMSGKMY-UHFFFAOYSA-N 2 2 375.538 3.728 20 0 GHADLP Clc1sc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Br ZINC000790961903 880104170 /nfs/dbraw/zinc/10/41/70/880104170.db2.gz RZNACEFUFYEDLC-LBPRGKRZSA-N 2 2 393.778 3.897 20 0 GHADLP Cc1cccn2cc(CC(=O)N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)[nH+]c12 ZINC000531673453 880298565 /nfs/dbraw/zinc/29/85/65/880298565.db2.gz FOJMUSGRZBJBAJ-IBGZPJMESA-N 2 2 382.552 3.688 20 0 GHADLP Cc1cccn2cc(CC(=O)N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)[nH+]c12 ZINC000531673453 880298577 /nfs/dbraw/zinc/29/85/77/880298577.db2.gz FOJMUSGRZBJBAJ-IBGZPJMESA-N 2 2 382.552 3.688 20 0 GHADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CCOCC1 ZINC000531719589 880375370 /nfs/dbraw/zinc/37/53/70/880375370.db2.gz KQXKDLPZHHITND-OAQYLSRUSA-N 2 2 379.976 3.647 20 0 GHADLP c1c(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)[nH+]c2n1CCCC2 ZINC000453083167 880439376 /nfs/dbraw/zinc/43/93/76/880439376.db2.gz MXOTZRWAYDEFSF-XPWALMASSA-N 3 2 378.564 3.795 20 0 GHADLP c1c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)[nH+]c2n1CCCC2 ZINC000453083167 880439379 /nfs/dbraw/zinc/43/93/79/880439379.db2.gz MXOTZRWAYDEFSF-XPWALMASSA-N 3 2 378.564 3.795 20 0 GHADLP FC(F)(F)[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1C(F)(F)F ZINC000643250719 912573823 /nfs/dbraw/zinc/57/38/23/912573823.db2.gz GEHCUUGUSRADMP-IYBDPMFKSA-N 2 2 396.375 3.691 20 0 GHADLP FC(F)(F)[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1C(F)(F)F ZINC000643250719 912573833 /nfs/dbraw/zinc/57/38/33/912573833.db2.gz GEHCUUGUSRADMP-IYBDPMFKSA-N 2 2 396.375 3.691 20 0 GHADLP C[C@@H]1C[C@H](CC[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000453183488 880585221 /nfs/dbraw/zinc/58/52/21/880585221.db2.gz YTCIWERBLVXCNZ-HFJQGTKSSA-N 2 2 393.510 3.924 20 0 GHADLP C[C@@H]1C[C@H](CC[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000453183488 880585230 /nfs/dbraw/zinc/58/52/30/880585230.db2.gz YTCIWERBLVXCNZ-HFJQGTKSSA-N 2 2 393.510 3.924 20 0 GHADLP C[C@H]1CC[C@H]([N@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C2CC[NH+](C)CC2)C1 ZINC001170160938 880786880 /nfs/dbraw/zinc/78/68/80/880786880.db2.gz KTIIPFACQJAFHK-PXNSSMCTSA-N 2 2 379.589 3.971 20 0 GHADLP C[C@H]1CC[C@H]([N@@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C2CC[NH+](C)CC2)C1 ZINC001170160938 880786882 /nfs/dbraw/zinc/78/68/82/880786882.db2.gz KTIIPFACQJAFHK-PXNSSMCTSA-N 2 2 379.589 3.971 20 0 GHADLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1OC(F)F ZINC000531965520 880832279 /nfs/dbraw/zinc/83/22/79/880832279.db2.gz FOYURKMWWJHWFZ-YLJYHZDGSA-N 2 2 389.490 3.927 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000186459790 880891617 /nfs/dbraw/zinc/89/16/17/880891617.db2.gz CAIWQEGTHHJWNZ-INIZCTEOSA-N 2 2 383.458 3.663 20 0 GHADLP Brc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000186760234 880977953 /nfs/dbraw/zinc/97/79/53/880977953.db2.gz YCWGXRATLPGBCJ-ZIAGYGMSSA-N 2 2 388.147 3.928 20 0 GHADLP Brc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000186760234 880977960 /nfs/dbraw/zinc/97/79/60/880977960.db2.gz YCWGXRATLPGBCJ-ZIAGYGMSSA-N 2 2 388.147 3.928 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000792214868 881007505 /nfs/dbraw/zinc/00/75/05/881007505.db2.gz JEMHDFMTFPGQOH-GOSISDBHSA-N 2 2 384.524 3.917 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000792214868 881007522 /nfs/dbraw/zinc/00/75/22/881007522.db2.gz JEMHDFMTFPGQOH-GOSISDBHSA-N 2 2 384.524 3.917 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000792282144 881011615 /nfs/dbraw/zinc/01/16/15/881011615.db2.gz ODBLWAIDERKEGY-HKUYNNGSSA-N 2 2 384.524 3.916 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000792282144 881011631 /nfs/dbraw/zinc/01/16/31/881011631.db2.gz ODBLWAIDERKEGY-HKUYNNGSSA-N 2 2 384.524 3.916 20 0 GHADLP Cc1[nH+]c2ccc(N(C(N)=[NH2+])c3ccc(N4CCOCC4)cc3)cc2n1C(C)C ZINC001170167008 881125496 /nfs/dbraw/zinc/12/54/96/881125496.db2.gz QNFHCWNGRZSDKZ-UHFFFAOYSA-N 2 2 392.507 3.794 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000187367840 881167263 /nfs/dbraw/zinc/16/72/63/881167263.db2.gz CWGRQPVAJRIDML-SFHVURJKSA-N 2 2 394.494 3.988 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000187367840 881167275 /nfs/dbraw/zinc/16/72/75/881167275.db2.gz CWGRQPVAJRIDML-SFHVURJKSA-N 2 2 394.494 3.988 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494241797 881277553 /nfs/dbraw/zinc/27/75/53/881277553.db2.gz OHFILHBHCAYTPI-RBBKRZOGSA-N 2 2 396.441 3.521 20 0 GHADLP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)c(Cl)nc21 ZINC000184729690 883381509 /nfs/dbraw/zinc/38/15/09/883381509.db2.gz NIGIXTIPMBSLSF-HNNXBMFYSA-N 2 2 386.931 3.854 20 0 GHADLP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)c(Cl)nc21 ZINC000184729690 883381526 /nfs/dbraw/zinc/38/15/26/883381526.db2.gz NIGIXTIPMBSLSF-HNNXBMFYSA-N 2 2 386.931 3.854 20 0 GHADLP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)CC1 ZINC001170469618 883435979 /nfs/dbraw/zinc/43/59/79/883435979.db2.gz YOPBCRKMLVNJEN-BGYRXZFFSA-N 2 2 384.568 3.919 20 0 GHADLP C[C@@H](NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CC[NH+](C)CC1 ZINC000643472736 912716447 /nfs/dbraw/zinc/71/64/47/912716447.db2.gz NCKUMYGWYIQULJ-MRXNPFEDSA-N 2 2 381.524 3.738 20 0 GHADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000522207027 883634137 /nfs/dbraw/zinc/63/41/37/883634137.db2.gz LHFASPXLFITPSE-RTWAWAEBSA-N 2 2 397.588 3.838 20 0 GHADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC000522207027 883634145 /nfs/dbraw/zinc/63/41/45/883634145.db2.gz LHFASPXLFITPSE-RTWAWAEBSA-N 2 2 397.588 3.838 20 0 GHADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000522207027 883634153 /nfs/dbraw/zinc/63/41/53/883634153.db2.gz LHFASPXLFITPSE-RTWAWAEBSA-N 2 2 397.588 3.838 20 0 GHADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000522207027 883634162 /nfs/dbraw/zinc/63/41/62/883634162.db2.gz LHFASPXLFITPSE-RTWAWAEBSA-N 2 2 397.588 3.838 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)Nc2nc3ccc(F)cc3s2)cc1 ZINC000859213085 883665866 /nfs/dbraw/zinc/66/58/66/883665866.db2.gz UACJMZCSKACUAK-UHFFFAOYSA-N 2 2 386.496 3.568 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)Nc2nc3ccc(F)cc3s2)cc1 ZINC000859213085 883665871 /nfs/dbraw/zinc/66/58/71/883665871.db2.gz UACJMZCSKACUAK-UHFFFAOYSA-N 2 2 386.496 3.568 20 0 GHADLP CC[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551394079 883801881 /nfs/dbraw/zinc/80/18/81/883801881.db2.gz AGMCHNPSDJKJOS-BJKOFHAPSA-N 2 2 382.548 3.551 20 0 GHADLP CC[C@@H](CO)[N@H+](Cc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551394079 883801902 /nfs/dbraw/zinc/80/19/02/883801902.db2.gz AGMCHNPSDJKJOS-BJKOFHAPSA-N 2 2 382.548 3.551 20 0 GHADLP CC[C@@H](CO)[NH+](Cc1ccccc1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551394079 883801924 /nfs/dbraw/zinc/80/19/24/883801924.db2.gz AGMCHNPSDJKJOS-BJKOFHAPSA-N 2 2 382.548 3.551 20 0 GHADLP CC[C@@H](CO)[NH+](Cc1ccccc1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551394079 883801941 /nfs/dbraw/zinc/80/19/41/883801941.db2.gz AGMCHNPSDJKJOS-BJKOFHAPSA-N 2 2 382.548 3.551 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC001183758571 912768819 /nfs/dbraw/zinc/76/88/19/912768819.db2.gz WJHFUBKSCJEBMP-DHIUTWEWSA-N 2 2 391.559 3.678 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC001183758571 912768828 /nfs/dbraw/zinc/76/88/28/912768828.db2.gz WJHFUBKSCJEBMP-DHIUTWEWSA-N 2 2 391.559 3.678 20 0 GHADLP CC1(C)C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183758571 912768838 /nfs/dbraw/zinc/76/88/38/912768838.db2.gz WJHFUBKSCJEBMP-DHIUTWEWSA-N 2 2 391.559 3.678 20 0 GHADLP CC1(C)C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183758571 912768848 /nfs/dbraw/zinc/76/88/48/912768848.db2.gz WJHFUBKSCJEBMP-DHIUTWEWSA-N 2 2 391.559 3.678 20 0 GHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)C[C@H]1c1ccccc1 ZINC000556177960 884024530 /nfs/dbraw/zinc/02/45/30/884024530.db2.gz RSWIWUKKENUEOB-MJGOQNOKSA-N 2 2 392.952 3.669 20 0 GHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)C[C@H]1c1ccccc1 ZINC000556177960 884024546 /nfs/dbraw/zinc/02/45/46/884024546.db2.gz RSWIWUKKENUEOB-MJGOQNOKSA-N 2 2 392.952 3.669 20 0 GHADLP Cc1noc(C2CCC([NH2+]CCC[NH+]3CCN(c4cccc(C)c4)CC3)CC2)n1 ZINC000494924540 884223615 /nfs/dbraw/zinc/22/36/15/884223615.db2.gz OUIUPFGBPMMBGO-UHFFFAOYSA-N 2 2 397.567 3.515 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000495095265 884532463 /nfs/dbraw/zinc/53/24/63/884532463.db2.gz WQZGCJYMTAIYGH-UWJYYQICSA-N 2 2 378.532 3.772 20 0 GHADLP CCSc1ccc([C@H](C)NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000105246924 884681704 /nfs/dbraw/zinc/68/17/04/884681704.db2.gz TWTJSFGLULCFLM-KRWDZBQOSA-N 2 2 392.613 3.527 20 0 GHADLP CCSc1ccc([C@H](C)NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000105246924 884681711 /nfs/dbraw/zinc/68/17/11/884681711.db2.gz TWTJSFGLULCFLM-KRWDZBQOSA-N 2 2 392.613 3.527 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000666890257 884707523 /nfs/dbraw/zinc/70/75/23/884707523.db2.gz LMEQYJVJNQJHGQ-UHFFFAOYSA-N 2 2 388.478 3.532 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000666890257 884707530 /nfs/dbraw/zinc/70/75/30/884707530.db2.gz LMEQYJVJNQJHGQ-UHFFFAOYSA-N 2 2 388.478 3.532 20 0 GHADLP C[C@H](CCc1ccccc1)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498557538 884831679 /nfs/dbraw/zinc/83/16/79/884831679.db2.gz BAOFZFJHZKVWCP-ISKFKSNPSA-N 2 2 392.591 3.937 20 0 GHADLP C[C@H](CCc1ccccc1)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498557538 884831684 /nfs/dbraw/zinc/83/16/84/884831684.db2.gz BAOFZFJHZKVWCP-ISKFKSNPSA-N 2 2 392.591 3.937 20 0 GHADLP Cc1cc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c(C)c[nH+]1 ZINC000666495747 885216903 /nfs/dbraw/zinc/21/69/03/885216903.db2.gz BLVCGTKVKRHTMW-HXUWFJFHSA-N 2 2 378.520 3.544 20 0 GHADLP Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c(C)c[nH+]1 ZINC000666495747 885216917 /nfs/dbraw/zinc/21/69/17/885216917.db2.gz BLVCGTKVKRHTMW-HXUWFJFHSA-N 2 2 378.520 3.544 20 0 GHADLP CCCCC[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000729608542 885447128 /nfs/dbraw/zinc/44/71/28/885447128.db2.gz BINKBUTUVVNVPR-QFIPXVFZSA-N 2 2 388.600 3.975 20 0 GHADLP CCCCC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000729608542 885447137 /nfs/dbraw/zinc/44/71/37/885447137.db2.gz BINKBUTUVVNVPR-QFIPXVFZSA-N 2 2 388.600 3.975 20 0 GHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCc4c3cccc4Cl)cc2)CC1 ZINC000532448084 885497792 /nfs/dbraw/zinc/49/77/92/885497792.db2.gz IFVRKKVCSMNTNI-OAQYLSRUSA-N 2 2 383.923 3.505 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000532514325 885907625 /nfs/dbraw/zinc/90/76/25/885907625.db2.gz NIZFXMKRSOGBBX-PBHICJAKSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000532514325 885907630 /nfs/dbraw/zinc/90/76/30/885907630.db2.gz NIZFXMKRSOGBBX-PBHICJAKSA-N 2 2 394.357 3.773 20 0 GHADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(Cl)s1 ZINC000542558687 885982815 /nfs/dbraw/zinc/98/28/15/885982815.db2.gz BCSQYRJTRCTNRX-HNNXBMFYSA-N 2 2 397.997 3.848 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000643492949 886160190 /nfs/dbraw/zinc/16/01/90/886160190.db2.gz AMNBVMKZKDFPPV-KMDXXIMOSA-N 3 2 398.595 3.510 20 0 GHADLP CC[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C1(C(=O)OC)CCC1 ZINC000498934991 886171897 /nfs/dbraw/zinc/17/18/97/886171897.db2.gz UNOVESJKPRNHOW-AZUAARDMSA-N 2 2 388.552 3.598 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3(c4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000777235465 886245472 /nfs/dbraw/zinc/24/54/72/886245472.db2.gz QCRSPKFOPHJCRP-UHFFFAOYSA-N 2 2 379.504 3.729 20 0 GHADLP CC(C)c1[nH+]ccn1CCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000114162342 886307054 /nfs/dbraw/zinc/30/70/54/886307054.db2.gz LIUSXXIQICGDLP-UHFFFAOYSA-N 2 2 388.943 3.831 20 0 GHADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c(Br)c1 ZINC000056522502 886308972 /nfs/dbraw/zinc/30/89/72/886308972.db2.gz PZFGOHKWCLWCTM-OAHLLOKOSA-N 2 2 396.373 3.748 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cnn(-c2ccccc2)c1 ZINC000777256794 886351319 /nfs/dbraw/zinc/35/13/19/886351319.db2.gz RZIYMYPMVPOXCN-DYESRHJHSA-N 2 2 376.508 3.581 20 0 GHADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000119065718 886403324 /nfs/dbraw/zinc/40/33/24/886403324.db2.gz FXZDHUINCXJIEY-UHFFFAOYSA-N 2 2 395.334 3.737 20 0 GHADLP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nnc(Cc4ccccc4C)o3)C2)[nH+]1 ZINC000125241783 886842244 /nfs/dbraw/zinc/84/22/44/886842244.db2.gz WQABTBFPGKMZIA-SFHVURJKSA-N 2 2 377.492 3.606 20 0 GHADLP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nnc(Cc4ccccc4C)o3)C2)[nH+]1 ZINC000125241783 886842255 /nfs/dbraw/zinc/84/22/55/886842255.db2.gz WQABTBFPGKMZIA-SFHVURJKSA-N 2 2 377.492 3.606 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc4cccc(OC)c4o3)cc2)CC1 ZINC000915680711 887315968 /nfs/dbraw/zinc/31/59/68/887315968.db2.gz BIIJJWIXBNBGFW-UHFFFAOYSA-N 2 2 393.531 3.869 20 0 GHADLP C[NH+](C)Cc1cnc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)s1 ZINC000809539898 887526210 /nfs/dbraw/zinc/52/62/10/887526210.db2.gz DMKOXWSLUVEAOQ-UHFFFAOYSA-N 2 2 380.561 3.676 20 0 GHADLP COCOc1ccc(OC)cc1C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000119815105 887533227 /nfs/dbraw/zinc/53/32/27/887533227.db2.gz MREIOITWWFQQJJ-GOSISDBHSA-N 2 2 384.520 3.993 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000809595348 887601237 /nfs/dbraw/zinc/60/12/37/887601237.db2.gz JTDJDKYPSXJOFS-APWZRJJASA-N 2 2 385.943 3.678 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000809595348 887601240 /nfs/dbraw/zinc/60/12/40/887601240.db2.gz JTDJDKYPSXJOFS-APWZRJJASA-N 2 2 385.943 3.678 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000809595348 887601244 /nfs/dbraw/zinc/60/12/44/887601244.db2.gz JTDJDKYPSXJOFS-APWZRJJASA-N 2 2 385.943 3.678 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000809595348 887601246 /nfs/dbraw/zinc/60/12/46/887601246.db2.gz JTDJDKYPSXJOFS-APWZRJJASA-N 2 2 385.943 3.678 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@@H]21 ZINC000459358697 887660616 /nfs/dbraw/zinc/66/06/16/887660616.db2.gz NCZQUDBOCILTLA-AVRDEDQJSA-N 2 2 379.552 3.976 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@@H]21 ZINC000459358697 887660621 /nfs/dbraw/zinc/66/06/21/887660621.db2.gz NCZQUDBOCILTLA-AVRDEDQJSA-N 2 2 379.552 3.976 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@@H]21 ZINC000459358697 887660627 /nfs/dbraw/zinc/66/06/27/887660627.db2.gz NCZQUDBOCILTLA-AVRDEDQJSA-N 2 2 379.552 3.976 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@@H]21 ZINC000459358697 887660634 /nfs/dbraw/zinc/66/06/34/887660634.db2.gz NCZQUDBOCILTLA-AVRDEDQJSA-N 2 2 379.552 3.976 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000794688452 887774671 /nfs/dbraw/zinc/77/46/71/887774671.db2.gz ILIRZPOIAFVHAM-SDHSZQHLSA-N 2 2 390.527 3.544 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000794688452 887774687 /nfs/dbraw/zinc/77/46/87/887774687.db2.gz ILIRZPOIAFVHAM-SDHSZQHLSA-N 2 2 390.527 3.544 20 0 GHADLP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000810171418 888232523 /nfs/dbraw/zinc/23/25/23/888232523.db2.gz JHIIYWZAWULMIE-OAHLLOKOSA-N 2 2 390.318 3.917 20 0 GHADLP CCCCCC[C@H](CC)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001170603127 888431919 /nfs/dbraw/zinc/43/19/19/888431919.db2.gz IJPQVUCGZOZEBP-QFIPXVFZSA-N 3 2 392.676 3.912 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000810651937 888748220 /nfs/dbraw/zinc/74/82/20/888748220.db2.gz UQFRXJLORHKSRN-QFIPXVFZSA-N 2 2 382.483 3.753 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000810651937 888748230 /nfs/dbraw/zinc/74/82/30/888748230.db2.gz UQFRXJLORHKSRN-QFIPXVFZSA-N 2 2 382.483 3.753 20 0 GHADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000866704808 889013368 /nfs/dbraw/zinc/01/33/68/889013368.db2.gz YGKPYKBJJXTQSY-QGZVFWFLSA-N 2 2 391.865 3.994 20 0 GHADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000866704808 889013381 /nfs/dbraw/zinc/01/33/81/889013381.db2.gz YGKPYKBJJXTQSY-QGZVFWFLSA-N 2 2 391.865 3.994 20 0 GHADLP Cn1c[nH+]cc1CN1CC2(CCC1=O)CC[NH+](Cc1sccc1Cl)CC2 ZINC001275317521 913308017 /nfs/dbraw/zinc/30/80/17/913308017.db2.gz QVQMUSHHJZPZAG-UHFFFAOYSA-N 2 2 392.956 3.540 20 0 GHADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245700503 889281214 /nfs/dbraw/zinc/28/12/14/889281214.db2.gz LRZOSEZGFDVPFX-QERLCLQCSA-N 3 2 397.607 3.540 20 0 GHADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245700503 889281231 /nfs/dbraw/zinc/28/12/31/889281231.db2.gz LRZOSEZGFDVPFX-QERLCLQCSA-N 3 2 397.607 3.540 20 0 GHADLP O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000101544052 889286822 /nfs/dbraw/zinc/28/68/22/889286822.db2.gz KGMQRROPSWWLLG-UHFFFAOYSA-N 2 2 386.499 3.929 20 0 GHADLP O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000101544052 889286832 /nfs/dbraw/zinc/28/68/32/889286832.db2.gz KGMQRROPSWWLLG-UHFFFAOYSA-N 2 2 386.499 3.929 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000122346383 889659056 /nfs/dbraw/zinc/65/90/56/889659056.db2.gz XVXRNGNVIIWCHV-CRYYWNKWSA-N 2 2 385.577 3.810 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000124709207 889733175 /nfs/dbraw/zinc/73/31/75/889733175.db2.gz NUQFHSAQABQUQV-RTWAWAEBSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000124709207 889733185 /nfs/dbraw/zinc/73/31/85/889733185.db2.gz NUQFHSAQABQUQV-RTWAWAEBSA-N 2 2 375.532 3.543 20 0 GHADLP CN(C(=O)c1cccc2[nH]ccc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124858677 889794025 /nfs/dbraw/zinc/79/40/25/889794025.db2.gz HIKYSEBRZRXDFC-VXKWHMMOSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1cccc2[nH]ccc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124858677 889794031 /nfs/dbraw/zinc/79/40/31/889794031.db2.gz HIKYSEBRZRXDFC-VXKWHMMOSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1cc2ccccc2n1C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124872602 889798170 /nfs/dbraw/zinc/79/81/70/889798170.db2.gz CIMVWRGJTPGFHG-FCHUYYIVSA-N 2 2 396.579 3.588 20 0 GHADLP CN(C(=O)c1cc2ccccc2n1C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124872602 889798183 /nfs/dbraw/zinc/79/81/83/889798183.db2.gz CIMVWRGJTPGFHG-FCHUYYIVSA-N 2 2 396.579 3.588 20 0 GHADLP COc1ccc2cc(CNc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)ccc2c1 ZINC000533187515 889978303 /nfs/dbraw/zinc/97/83/03/889978303.db2.gz JIWMGZOKFZEXQK-UHFFFAOYSA-N 2 2 390.531 3.808 20 0 GHADLP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccc(C2CC2)c1 ZINC000455123051 890343756 /nfs/dbraw/zinc/34/37/56/890343756.db2.gz ZYNAAXFLGYUBHQ-IBGZPJMESA-N 2 2 398.595 3.875 20 0 GHADLP C[C@@H](c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1)C(F)(F)F ZINC000455208491 890542310 /nfs/dbraw/zinc/54/23/10/890542310.db2.gz MCHIPHZESGWQLT-HNNXBMFYSA-N 2 2 397.485 3.641 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Br)c3OC(F)F)CC[C@@H]21 ZINC000533558993 890843481 /nfs/dbraw/zinc/84/34/81/890843481.db2.gz YKQCREMLAQMOBS-DOMZBBRYSA-N 2 2 389.284 3.967 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Br)c3OC(F)F)CC[C@@H]21 ZINC000533558993 890843493 /nfs/dbraw/zinc/84/34/93/890843493.db2.gz YKQCREMLAQMOBS-DOMZBBRYSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(Br)c3OC(F)F)CC[C@@H]21 ZINC000533558993 890843503 /nfs/dbraw/zinc/84/35/03/890843503.db2.gz YKQCREMLAQMOBS-DOMZBBRYSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(Br)c3OC(F)F)CC[C@@H]21 ZINC000533558993 890843511 /nfs/dbraw/zinc/84/35/11/890843511.db2.gz YKQCREMLAQMOBS-DOMZBBRYSA-N 2 2 389.284 3.967 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170684858 890899963 /nfs/dbraw/zinc/89/99/63/890899963.db2.gz GBJBHSSJLXNHTL-WWPVKYPJSA-N 2 2 386.486 3.701 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170684858 890899971 /nfs/dbraw/zinc/89/99/71/890899971.db2.gz GBJBHSSJLXNHTL-WWPVKYPJSA-N 2 2 386.486 3.701 20 0 GHADLP CC[C@@](O)(CCC(F)(F)F)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000897521387 890943935 /nfs/dbraw/zinc/94/39/35/890943935.db2.gz FQAJEADPJQGVFH-LJQANCHMSA-N 2 2 387.490 3.795 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000812841545 891028871 /nfs/dbraw/zinc/02/88/71/891028871.db2.gz ALAXXYHRBQWLEX-WOJBJXKFSA-N 3 2 384.612 3.964 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000812841545 891028881 /nfs/dbraw/zinc/02/88/81/891028881.db2.gz ALAXXYHRBQWLEX-WOJBJXKFSA-N 3 2 384.612 3.964 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000644854466 913514740 /nfs/dbraw/zinc/51/47/40/913514740.db2.gz MFKHUNZBIOELJF-OAQYLSRUSA-N 2 2 380.536 3.703 20 0 GHADLP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[NH+](C)C ZINC000066932495 891115052 /nfs/dbraw/zinc/11/50/52/891115052.db2.gz KJYPJLVEMUNFSO-GOSISDBHSA-N 2 2 386.367 3.660 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000116561412 891596800 /nfs/dbraw/zinc/59/68/00/891596800.db2.gz SSRNIHAYZNOIQD-LJQANCHMSA-N 2 2 395.551 3.799 20 0 GHADLP c1cn(Cc2ccc(N[C@H]3CC[C@H]([NH+]4CCN(CC5CC5)CC4)CC3)cc2)c[nH+]1 ZINC001170719153 892172627 /nfs/dbraw/zinc/17/26/27/892172627.db2.gz VWYWRBIMZZNVBB-RQNOJGIXSA-N 2 2 393.579 3.682 20 0 GHADLP CC(C)c1ccc(/C=C/CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000162324603 892188116 /nfs/dbraw/zinc/18/81/16/892188116.db2.gz IREJSJUDCXNUIX-SNAWJCMRSA-N 2 2 383.580 3.888 20 0 GHADLP CCC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1nnc2ccccn21 ZINC000129086444 893008982 /nfs/dbraw/zinc/00/89/82/893008982.db2.gz RGCZWEWSYLDNSC-OAQYLSRUSA-N 2 2 377.536 3.867 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]CCCCn3cc[nH+]c3)CC[C@@H]21 ZINC000876958399 893406204 /nfs/dbraw/zinc/40/62/04/893406204.db2.gz BMEYCBNPLQJGJV-QRVBRYPASA-N 2 2 376.545 3.821 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000126331787 893481811 /nfs/dbraw/zinc/48/18/11/893481811.db2.gz RHGSZZWKFVKAKR-GOSISDBHSA-N 2 2 396.535 3.513 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000126331787 893481816 /nfs/dbraw/zinc/48/18/16/893481816.db2.gz RHGSZZWKFVKAKR-GOSISDBHSA-N 2 2 396.535 3.513 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129507100 893525540 /nfs/dbraw/zinc/52/55/40/893525540.db2.gz KZTDSSNNVQATAN-KSSFIOAISA-N 2 2 395.334 3.731 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129507100 893525548 /nfs/dbraw/zinc/52/55/48/893525548.db2.gz KZTDSSNNVQATAN-KSSFIOAISA-N 2 2 395.334 3.731 20 0 GHADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000563374147 893679064 /nfs/dbraw/zinc/67/90/64/893679064.db2.gz NVSOTIWFRGCEJT-WIYYLYMNSA-N 2 2 376.504 3.940 20 0 GHADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000563374147 893679072 /nfs/dbraw/zinc/67/90/72/893679072.db2.gz NVSOTIWFRGCEJT-WIYYLYMNSA-N 2 2 376.504 3.940 20 0 GHADLP C[C@@H]1CN(c2ccccc2C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCO1 ZINC000459536651 893709975 /nfs/dbraw/zinc/70/99/75/893709975.db2.gz SRJUMQAJRZWJKS-CTNGQTDRSA-N 2 2 394.563 3.824 20 0 GHADLP C[C@@H]1CN(c2ccccc2C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCO1 ZINC000459536651 893709982 /nfs/dbraw/zinc/70/99/82/893709982.db2.gz SRJUMQAJRZWJKS-CTNGQTDRSA-N 2 2 394.563 3.824 20 0 GHADLP C[C@H]1CN(c2ccccc2C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCO1 ZINC000459536652 893710216 /nfs/dbraw/zinc/71/02/16/893710216.db2.gz SRJUMQAJRZWJKS-FPOVZHCZSA-N 2 2 394.563 3.824 20 0 GHADLP C[C@H]1CN(c2ccccc2C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCO1 ZINC000459536652 893710224 /nfs/dbraw/zinc/71/02/24/893710224.db2.gz SRJUMQAJRZWJKS-FPOVZHCZSA-N 2 2 394.563 3.824 20 0 GHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444805954 893761656 /nfs/dbraw/zinc/76/16/56/893761656.db2.gz VPHJBUUCYJJJIS-HNNXBMFYSA-N 2 2 395.334 3.565 20 0 GHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444805954 893761663 /nfs/dbraw/zinc/76/16/63/893761663.db2.gz VPHJBUUCYJJJIS-HNNXBMFYSA-N 2 2 395.334 3.565 20 0 GHADLP CCOc1cc(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)ccc1O ZINC000459576998 893847948 /nfs/dbraw/zinc/84/79/48/893847948.db2.gz LNRUWQJDEDLWJW-UHFFFAOYSA-N 2 2 397.519 3.504 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686238627 894012343 /nfs/dbraw/zinc/01/23/43/894012343.db2.gz OQUHQNFVETWAGF-FDDCHVKYSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686238627 894012364 /nfs/dbraw/zinc/01/23/64/894012364.db2.gz OQUHQNFVETWAGF-FDDCHVKYSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3c4sccc4OC(C)(C)[C@@H]3O)CC2)C1 ZINC000459698977 894090882 /nfs/dbraw/zinc/09/08/82/894090882.db2.gz NASLBGBRJIIAFV-VKSDOSABSA-N 2 2 378.582 3.954 20 0 GHADLP CC(C)(CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C[NH+]1CCCC1 ZINC000564023207 894476290 /nfs/dbraw/zinc/47/62/90/894476290.db2.gz OMYUPWQLGIHKGN-UHFFFAOYSA-N 2 2 393.535 3.845 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2OCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000564579256 895094506 /nfs/dbraw/zinc/09/45/06/895094506.db2.gz MXJSKAWOEDOHCT-ROUUACIJSA-N 2 2 379.426 3.948 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2OCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000564579256 895094525 /nfs/dbraw/zinc/09/45/25/895094525.db2.gz MXJSKAWOEDOHCT-ROUUACIJSA-N 2 2 379.426 3.948 20 0 GHADLP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000760326323 895205585 /nfs/dbraw/zinc/20/55/85/895205585.db2.gz MODBHMAJNSQVRS-AHIWAGSCSA-N 2 2 385.733 3.543 20 0 GHADLP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000760326323 895205597 /nfs/dbraw/zinc/20/55/97/895205597.db2.gz MODBHMAJNSQVRS-AHIWAGSCSA-N 2 2 385.733 3.543 20 0 GHADLP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000760326324 895205690 /nfs/dbraw/zinc/20/56/90/895205690.db2.gz MODBHMAJNSQVRS-DCGLDWPTSA-N 2 2 385.733 3.543 20 0 GHADLP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000760326324 895205708 /nfs/dbraw/zinc/20/57/08/895205708.db2.gz MODBHMAJNSQVRS-DCGLDWPTSA-N 2 2 385.733 3.543 20 0 GHADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@H](C[NH2+][C@@H](C)c1nccnc1C)c1ccccc1 ZINC000880109440 895522193 /nfs/dbraw/zinc/52/21/93/895522193.db2.gz AXPMUSFWLYNRJG-CEQLMSFQSA-N 2 2 390.535 3.669 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000880328028 895642743 /nfs/dbraw/zinc/64/27/43/895642743.db2.gz RTJXWYLJNIEWMV-NRFANRHFSA-N 2 2 383.580 3.515 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000880328028 895642746 /nfs/dbraw/zinc/64/27/46/895642746.db2.gz RTJXWYLJNIEWMV-NRFANRHFSA-N 2 2 383.580 3.515 20 0 GHADLP CC[N@H+](Cc1ccc(-c2nc([C@H]3C[NH+]4CCCC[C@@H]4CO3)no2)cc1)C(C)C ZINC000565460744 895647427 /nfs/dbraw/zinc/64/74/27/895647427.db2.gz GRYIDAZMBFMONA-WOJBJXKFSA-N 2 2 384.524 3.893 20 0 GHADLP CC[N@@H+](Cc1ccc(-c2nc([C@H]3C[NH+]4CCCC[C@@H]4CO3)no2)cc1)C(C)C ZINC000565460744 895647431 /nfs/dbraw/zinc/64/74/31/895647431.db2.gz GRYIDAZMBFMONA-WOJBJXKFSA-N 2 2 384.524 3.893 20 0 GHADLP CC[NH+](Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1)C(C)C ZINC000565460744 895647439 /nfs/dbraw/zinc/64/74/39/895647439.db2.gz GRYIDAZMBFMONA-WOJBJXKFSA-N 2 2 384.524 3.893 20 0 GHADLP CC[NH+](Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1)C(C)C ZINC000565460744 895647444 /nfs/dbraw/zinc/64/74/44/895647444.db2.gz GRYIDAZMBFMONA-WOJBJXKFSA-N 2 2 384.524 3.893 20 0 GHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569124 895751945 /nfs/dbraw/zinc/75/19/45/895751945.db2.gz ITRLPXZIZZFQBC-UTKZUKDTSA-N 2 2 380.467 3.573 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)([NH+]2CCCCC2)CC1 ZINC000565723347 895833299 /nfs/dbraw/zinc/83/32/99/895833299.db2.gz UAPYNJARZWPBOD-NJDAHSKKSA-N 2 2 375.601 3.659 20 0 GHADLP C[C@H](OC[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000818979850 896298769 /nfs/dbraw/zinc/29/87/69/896298769.db2.gz BVJIQQGJEZKZCO-HRAATJIYSA-N 2 2 385.895 3.754 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1C(F)(F)F ZINC000818980822 896299860 /nfs/dbraw/zinc/29/98/60/896299860.db2.gz OPLDHTITENPUOO-GOSISDBHSA-N 2 2 375.394 3.584 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000819183515 896454385 /nfs/dbraw/zinc/45/43/85/896454385.db2.gz PNMHKGYFIDYWIS-YWZLYKJASA-N 2 2 393.453 3.949 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000567779745 897393095 /nfs/dbraw/zinc/39/30/95/897393095.db2.gz ZVKRZEBFSHSENK-VFNWGFHPSA-N 2 2 387.474 3.655 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000567779745 897393107 /nfs/dbraw/zinc/39/31/07/897393107.db2.gz ZVKRZEBFSHSENK-VFNWGFHPSA-N 2 2 387.474 3.655 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(OCC4CC4)nc3)CC2)cc1 ZINC000131359441 897415992 /nfs/dbraw/zinc/41/59/92/897415992.db2.gz FYLZQKCQWKDHBP-UHFFFAOYSA-N 2 2 380.536 3.695 20 0 GHADLP CCC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000883279330 897436410 /nfs/dbraw/zinc/43/64/10/897436410.db2.gz QMAMBMVLMOKSTJ-UHFFFAOYSA-N 2 2 385.512 3.537 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883387031 897550319 /nfs/dbraw/zinc/55/03/19/897550319.db2.gz QPMDOARZDYBBRL-KZNAEPCWSA-N 2 2 377.435 3.581 20 0 GHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000883387978 897552430 /nfs/dbraw/zinc/55/24/30/897552430.db2.gz JQQVZBMTVZEPFK-UTKZUKDTSA-N 2 2 375.476 3.505 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000568166104 897650124 /nfs/dbraw/zinc/65/01/24/897650124.db2.gz CPFXNHAGDWEYQX-LLVKDONJSA-N 2 2 378.263 3.766 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000568166104 897650132 /nfs/dbraw/zinc/65/01/32/897650132.db2.gz CPFXNHAGDWEYQX-LLVKDONJSA-N 2 2 378.263 3.766 20 0 GHADLP COCOc1ccc(OC)cc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282841900 898009987 /nfs/dbraw/zinc/00/99/87/898009987.db2.gz VSAUNFHWXCJWOG-QGZVFWFLSA-N 2 2 385.508 3.590 20 0 GHADLP Cc1ccc([C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C2CCC2)o1 ZINC000544578453 898097799 /nfs/dbraw/zinc/09/77/99/898097799.db2.gz CDTBEAMUCCFNLU-JOCHJYFZSA-N 2 2 381.520 3.607 20 0 GHADLP Cc1cccc([C@@H](C)[NH+]2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)c1 ZINC000822289517 898287793 /nfs/dbraw/zinc/28/77/93/898287793.db2.gz YGYHERRZRXAGFZ-QGZVFWFLSA-N 2 2 399.502 3.607 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000569401352 898622029 /nfs/dbraw/zinc/62/20/29/898622029.db2.gz LPJZTQIAOXYOJN-PMACEKPBSA-N 2 2 391.559 3.649 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(SC(F)F)cc1 ZINC000155352183 898674725 /nfs/dbraw/zinc/67/47/25/898674725.db2.gz SMQMGOVPZDHUOS-WMLDXEAASA-N 2 2 385.524 3.595 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(SC(F)F)cc1 ZINC000155352183 898674732 /nfs/dbraw/zinc/67/47/32/898674732.db2.gz SMQMGOVPZDHUOS-WMLDXEAASA-N 2 2 385.524 3.595 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cc3ccc(-c4ccccc4)cc3)c2)CC1 ZINC001171042034 899356846 /nfs/dbraw/zinc/35/68/46/899356846.db2.gz LGSSCBAKPCIJFG-UHFFFAOYSA-N 2 2 386.499 3.682 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000824414423 899611841 /nfs/dbraw/zinc/61/18/41/899611841.db2.gz ALAXGZUPBQFPAU-WOCWXWTJSA-N 2 2 388.556 3.815 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CCc4c(Cl)cccc4C3)CC2)C1 ZINC001171057141 899616391 /nfs/dbraw/zinc/61/63/91/899616391.db2.gz UZKNSLAONQIXJH-PKOBYXMFSA-N 2 2 390.955 3.547 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CCc4c(Cl)cccc4C3)CC2)C1 ZINC001171057141 899616397 /nfs/dbraw/zinc/61/63/97/899616397.db2.gz UZKNSLAONQIXJH-PKOBYXMFSA-N 2 2 390.955 3.547 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c4cccc(F)c34)CC2)C1 ZINC001136980030 899943765 /nfs/dbraw/zinc/94/37/65/899943765.db2.gz ZLRHXBNKBKPEED-MRXNPFEDSA-N 2 2 387.499 3.547 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c4cccc(F)c34)CC2)C1 ZINC001136980030 899943770 /nfs/dbraw/zinc/94/37/70/899943770.db2.gz ZLRHXBNKBKPEED-MRXNPFEDSA-N 2 2 387.499 3.547 20 0 GHADLP CN(C(=O)c1cccc(C2CC2)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000571893648 900001506 /nfs/dbraw/zinc/00/15/06/900001506.db2.gz RCUPCPNHWFPWAH-DHIUTWEWSA-N 2 2 383.580 3.973 20 0 GHADLP CN(C(=O)c1cccc(C2CC2)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000571893648 900001516 /nfs/dbraw/zinc/00/15/16/900001516.db2.gz RCUPCPNHWFPWAH-DHIUTWEWSA-N 2 2 383.580 3.973 20 0 GHADLP CCCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825268668 900062895 /nfs/dbraw/zinc/06/28/95/900062895.db2.gz XSKYWPGVTSYCOF-NQIIRXRSSA-N 2 2 382.556 3.780 20 0 GHADLP COCOc1ccc(OC)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000135894541 900489984 /nfs/dbraw/zinc/48/99/84/900489984.db2.gz DJENOLQLEJHECD-NQIIRXRSSA-N 2 2 384.520 3.821 20 0 GHADLP COCOc1ccc(OC)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000135894541 900489993 /nfs/dbraw/zinc/48/99/93/900489993.db2.gz DJENOLQLEJHECD-NQIIRXRSSA-N 2 2 384.520 3.821 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000574242614 900833888 /nfs/dbraw/zinc/83/38/88/900833888.db2.gz HOVRAFNJJWIEDM-LJQANCHMSA-N 2 2 399.560 3.831 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000574608178 900946702 /nfs/dbraw/zinc/94/67/02/900946702.db2.gz NVUJHIXKEFAFCY-QGZVFWFLSA-N 2 2 394.437 3.856 20 0 GHADLP c1onc(Cc2ccccc2)c1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000575141805 901132153 /nfs/dbraw/zinc/13/21/53/901132153.db2.gz CMTGIRXXUZNTFS-QFIPXVFZSA-N 2 2 375.516 3.920 20 0 GHADLP c1onc(Cc2ccccc2)c1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000575141805 901132166 /nfs/dbraw/zinc/13/21/66/901132166.db2.gz CMTGIRXXUZNTFS-QFIPXVFZSA-N 2 2 375.516 3.920 20 0 GHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000072810610 901209157 /nfs/dbraw/zinc/20/91/57/901209157.db2.gz ZYYBLPHCLXZJEV-FPOVZHCZSA-N 2 2 380.536 3.658 20 0 GHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000072810610 901209170 /nfs/dbraw/zinc/20/91/70/901209170.db2.gz ZYYBLPHCLXZJEV-FPOVZHCZSA-N 2 2 380.536 3.658 20 0 GHADLP Cc1[nH]c(C2CC[NH+](CC(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)CC2)[nH+]c1C ZINC000886664402 901213968 /nfs/dbraw/zinc/21/39/68/901213968.db2.gz LJFGWRVDEODZFY-OAHLLOKOSA-N 2 2 390.478 3.704 20 0 GHADLP C[N@H+](Cc1c[nH]nc1-c1ccccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645255 901502991 /nfs/dbraw/zinc/50/29/91/901502991.db2.gz UHTQRUWNFSJAQA-UHFFFAOYSA-N 2 2 393.510 3.750 20 0 GHADLP C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645255 901503000 /nfs/dbraw/zinc/50/30/00/901503000.db2.gz UHTQRUWNFSJAQA-UHFFFAOYSA-N 2 2 393.510 3.750 20 0 GHADLP COc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)c2)cc1 ZINC000092648512 901504272 /nfs/dbraw/zinc/50/42/72/901504272.db2.gz KYNCKPLFTOYMNA-UHFFFAOYSA-N 2 2 390.487 3.981 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000093318470 901539308 /nfs/dbraw/zinc/53/93/08/901539308.db2.gz ZJDZYFRCIGTEKZ-XMSQKQJNSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000093318470 901539313 /nfs/dbraw/zinc/53/93/13/901539313.db2.gz ZJDZYFRCIGTEKZ-XMSQKQJNSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2-c2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000093318470 901539322 /nfs/dbraw/zinc/53/93/22/901539322.db2.gz ZJDZYFRCIGTEKZ-XMSQKQJNSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2c[nH]nc2-c2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000093318470 901539333 /nfs/dbraw/zinc/53/93/33/901539333.db2.gz ZJDZYFRCIGTEKZ-XMSQKQJNSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000093318481 901541430 /nfs/dbraw/zinc/54/14/30/901541430.db2.gz ZJDZYFRCIGTEKZ-GCJKJVERSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000093318481 901541444 /nfs/dbraw/zinc/54/14/44/901541444.db2.gz ZJDZYFRCIGTEKZ-GCJKJVERSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2-c2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000093318481 901541454 /nfs/dbraw/zinc/54/14/54/901541454.db2.gz ZJDZYFRCIGTEKZ-GCJKJVERSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000093318481 901541483 /nfs/dbraw/zinc/54/14/83/901541483.db2.gz ZJDZYFRCIGTEKZ-GCJKJVERSA-N 2 2 375.520 3.957 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OCc1ccncc1 ZINC000093597140 901553793 /nfs/dbraw/zinc/55/37/93/901553793.db2.gz BPEMIMFZBGNVGY-NRFANRHFSA-N 2 2 381.520 3.587 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OCc1ccncc1 ZINC000093597140 901553800 /nfs/dbraw/zinc/55/38/00/901553800.db2.gz BPEMIMFZBGNVGY-NRFANRHFSA-N 2 2 381.520 3.587 20 0 GHADLP COC(=O)c1ccc([C@@H](C)[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)o1 ZINC000576550778 902090612 /nfs/dbraw/zinc/09/06/12/902090612.db2.gz BGKKIFHQRZCKII-HZPDHXFCSA-N 2 2 376.522 3.951 20 0 GHADLP COC(=O)c1ccc([C@@H](C)[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)o1 ZINC000576550778 902090623 /nfs/dbraw/zinc/09/06/23/902090623.db2.gz BGKKIFHQRZCKII-HZPDHXFCSA-N 2 2 376.522 3.951 20 0 GHADLP COC(=O)c1ccc([C@@H](C)[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)o1 ZINC000576550778 902090627 /nfs/dbraw/zinc/09/06/27/902090627.db2.gz BGKKIFHQRZCKII-HZPDHXFCSA-N 2 2 376.522 3.951 20 0 GHADLP COC(=O)c1ccc([C@@H](C)[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)o1 ZINC000576550778 902090636 /nfs/dbraw/zinc/09/06/36/902090636.db2.gz BGKKIFHQRZCKII-HZPDHXFCSA-N 2 2 376.522 3.951 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845551938 902255220 /nfs/dbraw/zinc/25/52/20/902255220.db2.gz IGEJULONLLJJBZ-HXUWFJFHSA-N 2 2 381.520 3.606 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845551938 902255235 /nfs/dbraw/zinc/25/52/35/902255235.db2.gz IGEJULONLLJJBZ-HXUWFJFHSA-N 2 2 381.520 3.606 20 0 GHADLP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)CCCn3cc[nH+]c3)c2)cc1 ZINC000577146553 902538146 /nfs/dbraw/zinc/53/81/46/902538146.db2.gz HNAIJTBTTMUKON-UHFFFAOYSA-N 2 2 378.476 3.666 20 0 GHADLP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)CCCn3cc[nH+]c3)c2)cc1 ZINC000577146553 902538156 /nfs/dbraw/zinc/53/81/56/902538156.db2.gz HNAIJTBTTMUKON-UHFFFAOYSA-N 2 2 378.476 3.666 20 0 GHADLP CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)sc2C1 ZINC000577275899 902639693 /nfs/dbraw/zinc/63/96/93/902639693.db2.gz HMKUVEPJFYLBIT-UHFFFAOYSA-N 2 2 381.505 3.738 20 0 GHADLP CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)sc2C1 ZINC000577275899 902639700 /nfs/dbraw/zinc/63/97/00/902639700.db2.gz HMKUVEPJFYLBIT-UHFFFAOYSA-N 2 2 381.505 3.738 20 0 GHADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000577284774 902646326 /nfs/dbraw/zinc/64/63/26/902646326.db2.gz XGIABBJMVIHMLF-LJQANCHMSA-N 2 2 397.567 3.631 20 0 GHADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000577284774 902646338 /nfs/dbraw/zinc/64/63/38/902646338.db2.gz XGIABBJMVIHMLF-LJQANCHMSA-N 2 2 397.567 3.631 20 0 GHADLP Cc1[nH+]ccn1CCCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000264191079 902904874 /nfs/dbraw/zinc/90/48/74/902904874.db2.gz OQKDLRPISDGHRB-AWEZNQCLSA-N 2 2 388.516 3.716 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C2CC2)cc1 ZINC000578244821 903648563 /nfs/dbraw/zinc/64/85/63/903648563.db2.gz NNCFAZLGTWNOPF-FQEVSTJZSA-N 2 2 380.536 3.524 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C2CC2)cc1 ZINC000578244821 903648570 /nfs/dbraw/zinc/64/85/70/903648570.db2.gz NNCFAZLGTWNOPF-FQEVSTJZSA-N 2 2 380.536 3.524 20 0 GHADLP CC[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000265140112 903660615 /nfs/dbraw/zinc/66/06/15/903660615.db2.gz NEMXMLWKDQLNRO-OAHLLOKOSA-N 2 2 386.993 3.520 20 0 GHADLP CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000265140112 903660621 /nfs/dbraw/zinc/66/06/21/903660621.db2.gz NEMXMLWKDQLNRO-OAHLLOKOSA-N 2 2 386.993 3.520 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000290791557 914821803 /nfs/dbraw/zinc/82/18/03/914821803.db2.gz URYMETXNBAMQGB-ZWKOTPCHSA-N 2 2 390.572 3.890 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cn2c3cc(F)ccc3oc2=O)CC1 ZINC000773308700 904701244 /nfs/dbraw/zinc/70/12/44/904701244.db2.gz INNUBKRGKXCCPG-INIZCTEOSA-N 2 2 375.488 3.668 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cn2c3cc(F)ccc3oc2=O)CC1 ZINC000773308700 904701251 /nfs/dbraw/zinc/70/12/51/904701251.db2.gz INNUBKRGKXCCPG-INIZCTEOSA-N 2 2 375.488 3.668 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171481707 904754417 /nfs/dbraw/zinc/75/44/17/904754417.db2.gz IHZDUXKXAADLIX-DENIHFKCSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171481707 904754420 /nfs/dbraw/zinc/75/44/20/904754420.db2.gz IHZDUXKXAADLIX-DENIHFKCSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171481707 904754428 /nfs/dbraw/zinc/75/44/28/904754428.db2.gz IHZDUXKXAADLIX-DENIHFKCSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171481707 904754432 /nfs/dbraw/zinc/75/44/32/904754432.db2.gz IHZDUXKXAADLIX-DENIHFKCSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)C2)C1 ZINC001171534238 904759464 /nfs/dbraw/zinc/75/94/64/904759464.db2.gz FOIKAOYATFKIJR-VGSWGCGISA-N 2 2 396.497 3.784 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)C2)C1 ZINC001171534238 904759469 /nfs/dbraw/zinc/75/94/69/904759469.db2.gz FOIKAOYATFKIJR-VGSWGCGISA-N 2 2 396.497 3.784 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)C2)C1 ZINC001171534238 904759476 /nfs/dbraw/zinc/75/94/76/904759476.db2.gz FOIKAOYATFKIJR-VGSWGCGISA-N 2 2 396.497 3.784 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)C2)C1 ZINC001171534238 904759487 /nfs/dbraw/zinc/75/94/87/904759487.db2.gz FOIKAOYATFKIJR-VGSWGCGISA-N 2 2 396.497 3.784 20 0 GHADLP Cc1cccc2c1CC[C@H]([NH2+]CCSCc1csc(C[NH+](C)C)n1)C2 ZINC001171554237 904826462 /nfs/dbraw/zinc/82/64/62/904826462.db2.gz YSZSQYPFRALTKO-KRWDZBQOSA-N 2 2 375.607 3.893 20 0 GHADLP C[NH+]1C(C)(C)CC([NH+]2CCN(C(=O)c3ccccc3Cl)CC2)CC1(C)C ZINC001171639331 904927869 /nfs/dbraw/zinc/92/78/69/904927869.db2.gz FZYTWMHAIJJFRO-UHFFFAOYSA-N 2 2 377.960 3.749 20 0 GHADLP COc1ccccc1C[NH+]1CCC(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171725397 904951156 /nfs/dbraw/zinc/95/11/56/904951156.db2.gz KWUORXGGFAMODD-GBXCKJPGSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccccc1C[NH+]1CCC(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171725397 904951170 /nfs/dbraw/zinc/95/11/70/904951170.db2.gz KWUORXGGFAMODD-GBXCKJPGSA-N 2 2 393.575 3.912 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)CC12CCC2 ZINC001171837138 905087157 /nfs/dbraw/zinc/08/71/57/905087157.db2.gz ALHLIFUQSYNBQH-MOPGFXCFSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)CC12CCC2 ZINC001171837138 905087171 /nfs/dbraw/zinc/08/71/71/905087171.db2.gz ALHLIFUQSYNBQH-MOPGFXCFSA-N 2 2 377.573 3.773 20 0 GHADLP CCOC(=O)C1(C)CCC([NH2+]CCSCc2csc(C[NH+](C)C)n2)CC1 ZINC001171939785 905194764 /nfs/dbraw/zinc/19/47/64/905194764.db2.gz WKSCCDXVFJOOPF-UHFFFAOYSA-N 2 2 399.626 3.540 20 0 GHADLP Cc1ccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(Br)c1 ZINC000174296025 905248526 /nfs/dbraw/zinc/24/85/26/905248526.db2.gz RVVYBTAUGLLDHU-AWEZNQCLSA-N 2 2 382.346 3.547 20 0 GHADLP COc1cc(N2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)ccn1 ZINC001171987211 905249455 /nfs/dbraw/zinc/24/94/55/905249455.db2.gz RFMJVUYHZPIODX-JOCHJYFZSA-N 2 2 394.563 3.655 20 0 GHADLP COc1cc(N2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)ccn1 ZINC001171987211 905249463 /nfs/dbraw/zinc/24/94/63/905249463.db2.gz RFMJVUYHZPIODX-JOCHJYFZSA-N 2 2 394.563 3.655 20 0 GHADLP CC1(C)C[C@H](N2CCC(C)([NH+]3CCOCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171988019 905250162 /nfs/dbraw/zinc/25/01/62/905250162.db2.gz NVLWCEAZPLZQIW-JOCHJYFZSA-N 2 2 385.596 3.616 20 0 GHADLP CC1(C)C[C@H](N2CCC(C)([NH+]3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171988019 905250174 /nfs/dbraw/zinc/25/01/74/905250174.db2.gz NVLWCEAZPLZQIW-JOCHJYFZSA-N 2 2 385.596 3.616 20 0 GHADLP COc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1OC ZINC001172065427 905330997 /nfs/dbraw/zinc/33/09/97/905330997.db2.gz LPGVWXPGANPANL-MZADTFQBSA-N 2 2 381.520 3.774 20 0 GHADLP COc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1OC ZINC001172065427 905331015 /nfs/dbraw/zinc/33/10/15/905331015.db2.gz LPGVWXPGANPANL-MZADTFQBSA-N 2 2 381.520 3.774 20 0 GHADLP COCC[N@H+](C)[C@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC001172115746 905367742 /nfs/dbraw/zinc/36/77/42/905367742.db2.gz ZUYXDLQMLXUAAH-PLACYPQZSA-N 2 2 379.976 3.564 20 0 GHADLP COCC[N@@H+](C)[C@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC001172115746 905367755 /nfs/dbraw/zinc/36/77/55/905367755.db2.gz ZUYXDLQMLXUAAH-PLACYPQZSA-N 2 2 379.976 3.564 20 0 GHADLP COCC[NH+](C)[C@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC001172115746 905367792 /nfs/dbraw/zinc/36/77/92/905367792.db2.gz ZUYXDLQMLXUAAH-PLACYPQZSA-N 2 2 379.976 3.564 20 0 GHADLP COCC[NH+](C)[C@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001172115746 905367832 /nfs/dbraw/zinc/36/78/32/905367832.db2.gz ZUYXDLQMLXUAAH-PLACYPQZSA-N 2 2 379.976 3.564 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]CCOc2cc[nH+]cc2)CC1 ZINC001172213024 905415281 /nfs/dbraw/zinc/41/52/81/905415281.db2.gz CFONXJYPOHXAPV-UHFFFAOYSA-N 2 2 388.895 3.757 20 0 GHADLP CC(C)COCC[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001172481409 905558379 /nfs/dbraw/zinc/55/83/79/905558379.db2.gz RVEHNDPEPNDINX-RTBURBONSA-N 2 2 397.604 3.501 20 0 GHADLP CC(C)COCC[C@@H](C)[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001172481409 905558393 /nfs/dbraw/zinc/55/83/93/905558393.db2.gz RVEHNDPEPNDINX-RTBURBONSA-N 2 2 397.604 3.501 20 0 GHADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172671959 905754933 /nfs/dbraw/zinc/75/49/33/905754933.db2.gz ZFUSVOOAOOEVGI-DEOSSOPVSA-N 2 2 391.559 3.774 20 0 GHADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172671959 905754947 /nfs/dbraw/zinc/75/49/47/905754947.db2.gz ZFUSVOOAOOEVGI-DEOSSOPVSA-N 2 2 391.559 3.774 20 0 GHADLP C[C@H]1CC[C@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001173058784 906135161 /nfs/dbraw/zinc/13/51/61/906135161.db2.gz ZUTDTMVAGKNJRN-IRXDYDNUSA-N 2 2 375.513 3.713 20 0 GHADLP COc1cccc2c1C[C@H]([NH2+]C1CC[NH+](Cc3ccc(F)cc3C)CC1)CO2 ZINC001173149433 906235937 /nfs/dbraw/zinc/23/59/37/906235937.db2.gz DCOVKYMCOMWUSW-FQEVSTJZSA-N 2 2 384.495 3.700 20 0 GHADLP c1ccc(OC2CCC([NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)CC2)cc1 ZINC001173202164 906286618 /nfs/dbraw/zinc/28/66/18/906286618.db2.gz NRADGCLWFGJDTK-FPCVHMJOSA-N 2 2 377.532 3.835 20 0 GHADLP c1ccc(OC2CCC([NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)CC2)cc1 ZINC001173202164 906286630 /nfs/dbraw/zinc/28/66/30/906286630.db2.gz NRADGCLWFGJDTK-FPCVHMJOSA-N 2 2 377.532 3.835 20 0 GHADLP c1ccc(OC2CCC([N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)CC2)cc1 ZINC001173202164 906286644 /nfs/dbraw/zinc/28/66/44/906286644.db2.gz NRADGCLWFGJDTK-FPCVHMJOSA-N 2 2 377.532 3.835 20 0 GHADLP c1ccc(OC2CCC([N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)CC2)cc1 ZINC001173202164 906286661 /nfs/dbraw/zinc/28/66/61/906286661.db2.gz NRADGCLWFGJDTK-FPCVHMJOSA-N 2 2 377.532 3.835 20 0 GHADLP CCCC[C@@H](CC(C)C)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001173256277 906341424 /nfs/dbraw/zinc/34/14/24/906341424.db2.gz PCTXSUSCKWFXHW-PMACEKPBSA-N 2 2 375.605 3.612 20 0 GHADLP CCCC[C@@H](CC(C)C)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001173256277 906341433 /nfs/dbraw/zinc/34/14/33/906341433.db2.gz PCTXSUSCKWFXHW-PMACEKPBSA-N 2 2 375.605 3.612 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173345294 906384473 /nfs/dbraw/zinc/38/44/73/906384473.db2.gz DRALNXBWQAZOSB-FYYLOGMGSA-N 2 2 378.601 3.940 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173345294 906384481 /nfs/dbraw/zinc/38/44/81/906384481.db2.gz DRALNXBWQAZOSB-FYYLOGMGSA-N 2 2 378.601 3.940 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173345294 906384498 /nfs/dbraw/zinc/38/44/98/906384498.db2.gz DRALNXBWQAZOSB-FYYLOGMGSA-N 2 2 378.601 3.940 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173345294 906384515 /nfs/dbraw/zinc/38/45/15/906384515.db2.gz DRALNXBWQAZOSB-FYYLOGMGSA-N 2 2 378.601 3.940 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)C1 ZINC001173652531 906637432 /nfs/dbraw/zinc/63/74/32/906637432.db2.gz REQOMFYOADMYOA-UTKZUKDTSA-N 2 2 376.516 3.810 20 0 GHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173771012 906690055 /nfs/dbraw/zinc/69/00/55/906690055.db2.gz JIWPRWBQVNHXDL-MRXNPFEDSA-N 2 2 395.950 3.794 20 0 GHADLP O=C(c1ccc(F)c(Cl)c1)N1CCC([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001173774481 906700730 /nfs/dbraw/zinc/70/07/30/906700730.db2.gz XJIMWPCKGPMUDY-SFHVURJKSA-N 2 2 393.934 3.548 20 0 GHADLP O=C(c1ccc(F)c(Cl)c1)N1CCC([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001173774481 906700735 /nfs/dbraw/zinc/70/07/35/906700735.db2.gz XJIMWPCKGPMUDY-SFHVURJKSA-N 2 2 393.934 3.548 20 0 GHADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180451884 906772641 /nfs/dbraw/zinc/77/26/41/906772641.db2.gz ILYRYDFELUWUJZ-UHFFFAOYSA-N 2 2 389.503 3.646 20 0 GHADLP [NH3+]C1(C[NH2+][C@H](c2ccccc2)c2cccc(Br)c2)CCOCC1 ZINC000629521492 906853797 /nfs/dbraw/zinc/85/37/97/906853797.db2.gz RGGQQYNGYFENNK-GOSISDBHSA-N 2 2 375.310 3.636 20 0 GHADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Br)c(F)c2F)C1 ZINC000629547421 906861865 /nfs/dbraw/zinc/86/18/65/906861865.db2.gz JRMOUGBOHHZXGI-BPLDGKMQSA-N 2 2 389.284 3.588 20 0 GHADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)c(F)c2F)C1 ZINC000629547421 906861870 /nfs/dbraw/zinc/86/18/70/906861870.db2.gz JRMOUGBOHHZXGI-BPLDGKMQSA-N 2 2 389.284 3.588 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)c1 ZINC000181774337 907077251 /nfs/dbraw/zinc/07/72/51/907077251.db2.gz KCYGMQOAEFRWPC-HUUCEWRRSA-N 2 2 397.357 3.609 20 0 GHADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182387407 907196796 /nfs/dbraw/zinc/19/67/96/907196796.db2.gz ATTJSZNEWMKLNJ-AZUAARDMSA-N 2 2 399.583 3.524 20 0 GHADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182387407 907196804 /nfs/dbraw/zinc/19/68/04/907196804.db2.gz ATTJSZNEWMKLNJ-AZUAARDMSA-N 2 2 399.583 3.524 20 0 GHADLP COc1cc(N2CCC([NH+](C)C)CC2)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175352761 907514635 /nfs/dbraw/zinc/51/46/35/907514635.db2.gz PFWTYWOVGPETME-UHFFFAOYSA-N 2 2 395.551 3.964 20 0 GHADLP Cc1cccnc1[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(C)C ZINC000631074173 907585585 /nfs/dbraw/zinc/58/55/85/907585585.db2.gz SYQKXWUSQRLAAP-JOCHJYFZSA-N 2 2 383.536 3.588 20 0 GHADLP Cc1nc(NC2=CC[N@H+](Cc3ccccc3)CC2)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001175505080 907590939 /nfs/dbraw/zinc/59/09/39/907590939.db2.gz NQNDEYVDMJBDJO-HDICACEKSA-N 2 2 393.535 3.600 20 0 GHADLP Cc1nc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001175505080 907590950 /nfs/dbraw/zinc/59/09/50/907590950.db2.gz NQNDEYVDMJBDJO-HDICACEKSA-N 2 2 393.535 3.600 20 0 GHADLP COc1cc(-c2nc(C[N@@H+]3CCN(c4cc[nH+]cc4)[C@H](C)C3)cs2)ccc1O ZINC001175769751 907735273 /nfs/dbraw/zinc/73/52/73/907735273.db2.gz SWNWDBPPHTXGNX-OAHLLOKOSA-N 2 2 396.516 3.630 20 0 GHADLP COc1cc(-c2nc(C[N@H+]3CCN(c4cc[nH+]cc4)[C@H](C)C3)cs2)ccc1O ZINC001175769751 907735281 /nfs/dbraw/zinc/73/52/81/907735281.db2.gz SWNWDBPPHTXGNX-OAHLLOKOSA-N 2 2 396.516 3.630 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000631655887 907792930 /nfs/dbraw/zinc/79/29/30/907792930.db2.gz KOOUVZQICMRNEF-DENIHFKCSA-N 2 2 388.515 3.584 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000631655887 907792931 /nfs/dbraw/zinc/79/29/31/907792931.db2.gz KOOUVZQICMRNEF-DENIHFKCSA-N 2 2 388.515 3.584 20 0 GHADLP CCC1([NH+](C)C)CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000633269178 908259145 /nfs/dbraw/zinc/25/91/45/908259145.db2.gz GJMWVSYYNUYDQB-UHFFFAOYSA-N 2 2 389.931 3.542 20 0 GHADLP Fc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1OC(F)(F)F ZINC001177323275 908525460 /nfs/dbraw/zinc/52/54/60/908525460.db2.gz LNDCNFRDUSDFEI-UHFFFAOYSA-N 2 2 398.400 3.846 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(Br)nc2)cc1F ZINC001177454283 908576128 /nfs/dbraw/zinc/57/61/28/908576128.db2.gz MHNPWAXZRAPOIZ-UHFFFAOYSA-N 2 2 375.245 3.767 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@H]1CCC[NH+]1Cc1ccco1 ZINC001177617902 908672413 /nfs/dbraw/zinc/67/24/13/908672413.db2.gz GQFFLVNBOXCHJD-PMOQBDJRSA-N 2 2 395.547 3.613 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@H]1CCC[NH+]1Cc1ccco1 ZINC001177617902 908672424 /nfs/dbraw/zinc/67/24/24/908672424.db2.gz GQFFLVNBOXCHJD-PMOQBDJRSA-N 2 2 395.547 3.613 20 0 GHADLP C[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177617902 908672432 /nfs/dbraw/zinc/67/24/32/908672432.db2.gz GQFFLVNBOXCHJD-PMOQBDJRSA-N 2 2 395.547 3.613 20 0 GHADLP C[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177617902 908672441 /nfs/dbraw/zinc/67/24/41/908672441.db2.gz GQFFLVNBOXCHJD-PMOQBDJRSA-N 2 2 395.547 3.613 20 0 GHADLP CCCn1cc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(C)n1 ZINC001177706700 908722067 /nfs/dbraw/zinc/72/20/67/908722067.db2.gz BNBYTKVBAFZGET-UHFFFAOYSA-N 2 2 389.975 3.557 20 0 GHADLP CC[C@@](C)([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC001179339028 909497457 /nfs/dbraw/zinc/49/74/57/909497457.db2.gz RBGWFONVTBJTNH-HSZRJFAPSA-N 2 2 386.511 3.952 20 0 GHADLP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179598281 909601909 /nfs/dbraw/zinc/60/19/09/909601909.db2.gz MTQDEHXBIFFBIE-KRWDZBQOSA-N 2 2 380.458 3.853 20 0 GHADLP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179598281 909601911 /nfs/dbraw/zinc/60/19/11/909601911.db2.gz MTQDEHXBIFFBIE-KRWDZBQOSA-N 2 2 380.458 3.853 20 0 GHADLP Fc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1Br ZINC000069747594 909701424 /nfs/dbraw/zinc/70/14/24/909701424.db2.gz PURRGIJMRHQYJO-UHFFFAOYSA-N 2 2 393.300 3.710 20 0 GHADLP Fc1cccc(/C=C\C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001179989787 909856555 /nfs/dbraw/zinc/85/65/55/909856555.db2.gz WMYRUJXRXHKAJK-FDQBOKQBSA-N 2 2 394.538 3.768 20 0 GHADLP Fc1cccc(/C=C\C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001179989787 909856563 /nfs/dbraw/zinc/85/65/63/909856563.db2.gz WMYRUJXRXHKAJK-FDQBOKQBSA-N 2 2 394.538 3.768 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001179994037 909858913 /nfs/dbraw/zinc/85/89/13/909858913.db2.gz VAZMVNQREDTYNQ-MRXNPFEDSA-N 2 2 391.357 3.717 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001179994037 909858919 /nfs/dbraw/zinc/85/89/19/909858919.db2.gz VAZMVNQREDTYNQ-MRXNPFEDSA-N 2 2 391.357 3.717 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC001179994037 909858923 /nfs/dbraw/zinc/85/89/23/909858923.db2.gz VAZMVNQREDTYNQ-MRXNPFEDSA-N 2 2 391.357 3.717 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001179994037 909858929 /nfs/dbraw/zinc/85/89/29/909858929.db2.gz VAZMVNQREDTYNQ-MRXNPFEDSA-N 2 2 391.357 3.717 20 0 GHADLP COc1cc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc(OC)c1OC ZINC000268741986 909993781 /nfs/dbraw/zinc/99/37/81/909993781.db2.gz DGBBGWRBBKOABK-INIZCTEOSA-N 2 2 381.476 3.808 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc2ccccc2o1 ZINC000268838559 910041845 /nfs/dbraw/zinc/04/18/45/910041845.db2.gz SSNMUCZJQPVFQA-QGZVFWFLSA-N 2 2 377.488 3.671 20 0 GHADLP Cc1cc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000269098667 910139369 /nfs/dbraw/zinc/13/93/69/910139369.db2.gz SMZRLAIYTJXZGO-CVDCTZTESA-N 3 2 393.579 3.705 20 0 GHADLP Cc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000269098667 910139373 /nfs/dbraw/zinc/13/93/73/910139373.db2.gz SMZRLAIYTJXZGO-CVDCTZTESA-N 3 2 393.579 3.705 20 0 GHADLP CC(C)c1nn(C)c(Cl)c1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000269123512 910149634 /nfs/dbraw/zinc/14/96/34/910149634.db2.gz GKMICSAJIUHZSJ-UHFFFAOYSA-N 2 2 390.963 3.734 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000639177822 910342741 /nfs/dbraw/zinc/34/27/41/910342741.db2.gz XEXPBQUWBDKGBR-UHFFFAOYSA-N 2 2 383.462 3.909 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000639177822 910342762 /nfs/dbraw/zinc/34/27/62/910342762.db2.gz XEXPBQUWBDKGBR-UHFFFAOYSA-N 2 2 383.462 3.909 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)[C@H](C)C1 ZINC000639590040 910537036 /nfs/dbraw/zinc/53/70/36/910537036.db2.gz SKWLDVMTYVUCOF-ZJPYXAASSA-N 2 2 392.506 3.651 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)[C@H](C)C1 ZINC000639590040 910537049 /nfs/dbraw/zinc/53/70/49/910537049.db2.gz SKWLDVMTYVUCOF-ZJPYXAASSA-N 2 2 392.506 3.651 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000271177549 910803929 /nfs/dbraw/zinc/80/39/29/910803929.db2.gz GFHZEUDNPVCUJI-UHFFFAOYSA-N 2 2 378.476 3.772 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000271184481 910807832 /nfs/dbraw/zinc/80/78/32/910807832.db2.gz DFZYWOBMUWOHDZ-UHFFFAOYSA-N 2 2 387.465 3.835 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)N3CCC(C)([NH+]4CCCC4)CC3)ccc21 ZINC000640178330 910889367 /nfs/dbraw/zinc/88/93/67/910889367.db2.gz LKWSUROUPGKFTQ-UHFFFAOYSA-N 2 2 381.524 3.783 20 0 GHADLP CC[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC001181944430 911095520 /nfs/dbraw/zinc/09/55/20/911095520.db2.gz DMCNOWSLCPVROW-MOPGFXCFSA-N 2 2 383.374 3.597 20 0 GHADLP CC[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC001181944430 911095536 /nfs/dbraw/zinc/09/55/36/911095536.db2.gz DMCNOWSLCPVROW-MOPGFXCFSA-N 2 2 383.374 3.597 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000641864645 911555962 /nfs/dbraw/zinc/55/59/62/911555962.db2.gz GGINHOZVEQBEFW-FQEVSTJZSA-N 2 2 377.532 3.556 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000641864645 911555976 /nfs/dbraw/zinc/55/59/76/911555976.db2.gz GGINHOZVEQBEFW-FQEVSTJZSA-N 2 2 377.532 3.556 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000774458057 911765132 /nfs/dbraw/zinc/76/51/32/911765132.db2.gz YGOYHTPAAGFXNP-IBGZPJMESA-N 2 2 388.556 3.724 20 0 GHADLP Cn1nccc1CC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000284249459 911804274 /nfs/dbraw/zinc/80/42/74/911804274.db2.gz CODOXNKYBGCGEC-UHFFFAOYSA-N 2 2 380.458 3.578 20 0 GHADLP Cn1nccc1CC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000284249459 911804280 /nfs/dbraw/zinc/80/42/80/911804280.db2.gz CODOXNKYBGCGEC-UHFFFAOYSA-N 2 2 380.458 3.578 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CC2(C[C@H]2NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001183035847 912209202 /nfs/dbraw/zinc/20/92/02/912209202.db2.gz KRYZHKCSKLLUST-CXVUKDAWSA-N 2 2 396.535 3.739 20 0 GHADLP Cc1c(O)ccc2c(C[NH+]3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)cc(=O)oc12 ZINC000303556402 914921011 /nfs/dbraw/zinc/92/10/11/914921011.db2.gz HSYKRVRXOZBBSS-AEFFLSMTSA-N 2 2 384.520 3.893 20 0 GHADLP Cc1c(O)ccc2c(C[NH+]3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)cc(=O)oc12 ZINC000303556402 914921026 /nfs/dbraw/zinc/92/10/26/914921026.db2.gz HSYKRVRXOZBBSS-AEFFLSMTSA-N 2 2 384.520 3.893 20 0 GHADLP Cc1c(O)ccc2c(C[N@H+]3CCC[C@H](C[NH+]4CCCC[C@H]4C)C3)cc(=O)oc12 ZINC000303556402 914921033 /nfs/dbraw/zinc/92/10/33/914921033.db2.gz HSYKRVRXOZBBSS-AEFFLSMTSA-N 2 2 384.520 3.893 20 0 GHADLP Cc1c(O)ccc2c(C[N@@H+]3CCC[C@H](C[NH+]4CCCC[C@H]4C)C3)cc(=O)oc12 ZINC000303556402 914921041 /nfs/dbraw/zinc/92/10/41/914921041.db2.gz HSYKRVRXOZBBSS-AEFFLSMTSA-N 2 2 384.520 3.893 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C[C@H]1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001187029833 914959443 /nfs/dbraw/zinc/95/94/43/914959443.db2.gz WOSDHHVSQLBSBF-MJGOQNOKSA-N 2 2 393.522 3.790 20 0 GHADLP C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C[C@H]1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001187029833 914959450 /nfs/dbraw/zinc/95/94/50/914959450.db2.gz WOSDHHVSQLBSBF-MJGOQNOKSA-N 2 2 393.522 3.790 20 0 GHADLP C[C@H](C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000648462547 915708314 /nfs/dbraw/zinc/70/83/14/915708314.db2.gz JJDBUXWFJUTPFE-DYESRHJHSA-N 2 2 397.544 3.501 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000648724829 915839823 /nfs/dbraw/zinc/83/98/23/915839823.db2.gz NCPGOOXAVNGJEZ-KRWDZBQOSA-N 2 2 388.943 3.785 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000648724829 915839842 /nfs/dbraw/zinc/83/98/42/915839842.db2.gz NCPGOOXAVNGJEZ-KRWDZBQOSA-N 2 2 388.943 3.785 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000648794733 915881519 /nfs/dbraw/zinc/88/15/19/915881519.db2.gz CRGWAHHJYGRNQW-GOSISDBHSA-N 2 2 394.519 3.938 20 0 GHADLP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)ccc1Cl ZINC001275727203 916443978 /nfs/dbraw/zinc/44/39/78/916443978.db2.gz GHSGFRRFENKLOA-LJQANCHMSA-N 2 2 384.351 3.512 20 0 GHADLP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)ccc1Cl ZINC001275727203 916443985 /nfs/dbraw/zinc/44/39/85/916443985.db2.gz GHSGFRRFENKLOA-LJQANCHMSA-N 2 2 384.351 3.512 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)cc1C[NH+]1CCCCC1 ZINC000775362688 917168067 /nfs/dbraw/zinc/16/80/67/917168067.db2.gz GPXLZJHPGHJCOX-HTAPYJJXSA-N 2 2 381.520 3.558 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CCOCC1)c1ccccc1 ZINC000775396983 917395178 /nfs/dbraw/zinc/39/51/78/917395178.db2.gz ZMPJKRCXVQVWFG-RNQOJCNYSA-N 2 2 392.634 3.856 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CCCC[C@@H]3C(C)C)CC2)cc1 ZINC001191022874 917711066 /nfs/dbraw/zinc/71/10/66/917711066.db2.gz YQYGBABAUYQINC-HSZRJFAPSA-N 2 2 385.596 3.965 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCCC[C@@H]3C(C)C)CC2)cc1 ZINC001191022874 917711078 /nfs/dbraw/zinc/71/10/78/917711078.db2.gz YQYGBABAUYQINC-HSZRJFAPSA-N 2 2 385.596 3.965 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000296275243 918078541 /nfs/dbraw/zinc/07/85/41/918078541.db2.gz CAOXJSNMLQSVLD-PDIWNELESA-N 2 2 381.520 3.902 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(OC)ccc1Cl)C2 ZINC001137263646 918613449 /nfs/dbraw/zinc/61/34/49/918613449.db2.gz WFXVUUOGVONKON-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(OC)ccc1Cl)C2 ZINC001137263646 918613462 /nfs/dbraw/zinc/61/34/62/918613462.db2.gz WFXVUUOGVONKON-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(OC)ccc1Cl)C2 ZINC001137263646 918613471 /nfs/dbraw/zinc/61/34/71/918613471.db2.gz WFXVUUOGVONKON-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(OC)ccc1Cl)C2 ZINC001137263646 918613484 /nfs/dbraw/zinc/61/34/84/918613484.db2.gz WFXVUUOGVONKON-NQIIRXRSSA-N 2 2 378.944 3.529 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(Cl)c(C)c3)CC2)CC1 ZINC000654300405 918991564 /nfs/dbraw/zinc/99/15/64/918991564.db2.gz FISKPHWXJIORIL-UHFFFAOYSA-N 2 2 378.948 3.672 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(Cl)c(C)c3)CC2)CC1 ZINC000654300405 918991570 /nfs/dbraw/zinc/99/15/70/918991570.db2.gz FISKPHWXJIORIL-UHFFFAOYSA-N 2 2 378.948 3.672 20 0 GHADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000654655988 919274993 /nfs/dbraw/zinc/27/49/93/919274993.db2.gz UNRUXZRGDVBIQB-HSZRJFAPSA-N 2 2 394.563 3.944 20 0 GHADLP Cc1ccc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c(OCC[NH+](C)C)c1 ZINC000364528916 919592391 /nfs/dbraw/zinc/59/23/91/919592391.db2.gz KJSFWXDKYRXPGS-MRXNPFEDSA-N 2 2 384.524 3.526 20 0 GHADLP Cc1ccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c(OCC[NH+](C)C)c1 ZINC000364528916 919592408 /nfs/dbraw/zinc/59/24/08/919592408.db2.gz KJSFWXDKYRXPGS-MRXNPFEDSA-N 2 2 384.524 3.526 20 0 GHADLP COc1cc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1OCCO ZINC000902762313 922478899 /nfs/dbraw/zinc/47/88/99/922478899.db2.gz LAQOSHRQJFXBRX-IAGOWNOFSA-N 2 2 381.476 3.664 20 0 GHADLP Cn1ccc(C[NH+]2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)cc1=O ZINC000677559482 924398273 /nfs/dbraw/zinc/39/82/73/924398273.db2.gz LYCVJGMECYAIFI-UHFFFAOYSA-N 2 2 393.453 3.501 20 0 GHADLP Cn1ccc(C[NH+]2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)cc1=O ZINC000677559482 924398279 /nfs/dbraw/zinc/39/82/79/924398279.db2.gz LYCVJGMECYAIFI-UHFFFAOYSA-N 2 2 393.453 3.501 20 0 GHADLP CC(C)c1ccc2c(c1)[C@H](NC(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CCC2 ZINC000677808182 924506840 /nfs/dbraw/zinc/50/68/40/924506840.db2.gz AHOWNVHIBSTBLB-NZQKXSOJSA-N 2 2 398.595 3.655 20 0 GHADLP CC(C)c1ccc2c(c1)[C@H](NC(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CCC2 ZINC000677808182 924506848 /nfs/dbraw/zinc/50/68/48/924506848.db2.gz AHOWNVHIBSTBLB-NZQKXSOJSA-N 2 2 398.595 3.655 20 0 GHADLP CC[N@H+](CCCC1CC[NH+]([C@@H](C)c2nc(C)no2)CC1)[C@H](C)c1nc(C)no1 ZINC000677992589 924572561 /nfs/dbraw/zinc/57/25/61/924572561.db2.gz MAVHCFYOYQZOIT-CABCVRRESA-N 2 2 390.532 3.706 20 0 GHADLP CC[N@@H+](CCCC1CC[NH+]([C@@H](C)c2nc(C)no2)CC1)[C@H](C)c1nc(C)no1 ZINC000677992589 924572571 /nfs/dbraw/zinc/57/25/71/924572571.db2.gz MAVHCFYOYQZOIT-CABCVRRESA-N 2 2 390.532 3.706 20 0 GHADLP Cc1ccc(-c2nc(CN(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cs2)cc1 ZINC000678722301 924896166 /nfs/dbraw/zinc/89/61/66/924896166.db2.gz ZYLOPONJPJJGQO-NRFANRHFSA-N 2 2 384.593 3.719 20 0 GHADLP Cc1ccc(-c2nc(CN(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cs2)cc1 ZINC000678722301 924896178 /nfs/dbraw/zinc/89/61/78/924896178.db2.gz ZYLOPONJPJJGQO-NRFANRHFSA-N 2 2 384.593 3.719 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000371935430 925005830 /nfs/dbraw/zinc/00/58/30/925005830.db2.gz DNOXPOHQOPXZSW-UHFFFAOYSA-N 2 2 391.519 3.557 20 0 GHADLP FC1(F)CC[N@H+](Cc2c[nH]c3ncccc23)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001137401101 925390336 /nfs/dbraw/zinc/39/03/36/925390336.db2.gz QXMATGAAUPBSHN-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[N@@H+](Cc2c[nH]c3ncccc23)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001137401101 925390344 /nfs/dbraw/zinc/39/03/44/925390344.db2.gz QXMATGAAUPBSHN-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2c[nH]c3ncccc23)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001137401101 925390354 /nfs/dbraw/zinc/39/03/54/925390354.db2.gz QXMATGAAUPBSHN-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2c[nH]c3ncccc23)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001137401101 925390363 /nfs/dbraw/zinc/39/03/63/925390363.db2.gz QXMATGAAUPBSHN-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410291442 925504450 /nfs/dbraw/zinc/50/44/50/925504450.db2.gz OREDEOSAVIWCHH-UNMCSNQZSA-N 2 2 392.547 3.590 20 0 GHADLP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410291442 925504459 /nfs/dbraw/zinc/50/44/59/925504459.db2.gz OREDEOSAVIWCHH-UNMCSNQZSA-N 2 2 392.547 3.590 20 0 GHADLP CSc1ccc(C)c(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000373224258 925948598 /nfs/dbraw/zinc/94/85/98/925948598.db2.gz QWWYWQYLLMTXKJ-UHFFFAOYSA-N 2 2 390.597 3.789 20 0 GHADLP C[C@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(C)(C)C[NH+](C)C ZINC000374330555 927026203 /nfs/dbraw/zinc/02/62/03/927026203.db2.gz OJACSZRXVHNOLY-INIZCTEOSA-N 2 2 381.524 3.700 20 0 GHADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000749590326 927205098 /nfs/dbraw/zinc/20/50/98/927205098.db2.gz PHIDDYGORJNEGW-IOMROCGXSA-N 2 2 387.568 3.585 20 0 GHADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000749590326 927205106 /nfs/dbraw/zinc/20/51/06/927205106.db2.gz PHIDDYGORJNEGW-IOMROCGXSA-N 2 2 387.568 3.585 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@H](Cn3cc[nH+]c3)c3ccc(C)cc3C)C2=O)cc1 ZINC000749605966 927210379 /nfs/dbraw/zinc/21/03/79/927210379.db2.gz RDFJBMVGZAWABH-XZOQPEGZSA-N 2 2 388.515 3.945 20 0 GHADLP c1ccc(C[NH+]2CCC(OCCCNc3cc(NC4CC4)nc[nH+]3)CC2)cc1 ZINC000413168894 928283273 /nfs/dbraw/zinc/28/32/73/928283273.db2.gz KFEKPWGQWFJKLL-UHFFFAOYSA-N 2 2 381.524 3.534 20 0 GHADLP c1ccc(C[NH+]2CCC(OCCCNc3cc(NC4CC4)[nH+]cn3)CC2)cc1 ZINC000413168894 928283288 /nfs/dbraw/zinc/28/32/88/928283288.db2.gz KFEKPWGQWFJKLL-UHFFFAOYSA-N 2 2 381.524 3.534 20 0 GHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543993489 928660584 /nfs/dbraw/zinc/66/05/84/928660584.db2.gz QURFTFSWJOSJCQ-OALUTQOASA-N 2 2 398.551 3.650 20 0 GHADLP CCS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000467411143 929045159 /nfs/dbraw/zinc/04/51/59/929045159.db2.gz MRXUCSCXUCATTL-YLJYHZDGSA-N 2 2 378.582 3.613 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000544348043 929078300 /nfs/dbraw/zinc/07/83/00/929078300.db2.gz GRIZPBSCGOAFQQ-UHFFFAOYSA-N 2 2 381.911 3.860 20 0 GHADLP C[C@H](CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCCC1 ZINC000467643431 929266469 /nfs/dbraw/zinc/26/64/69/929266469.db2.gz JJMFYGUJQBRGHE-QMMLZNLJSA-N 2 2 379.976 3.566 20 0 GHADLP C[C@H](CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCCC1 ZINC000467643431 929266476 /nfs/dbraw/zinc/26/64/76/929266476.db2.gz JJMFYGUJQBRGHE-QMMLZNLJSA-N 2 2 379.976 3.566 20 0 GHADLP Cc1cccn2cc(Cc3noc([C@H]4CCC[N@H+](Cc5ccccc5)C4)n3)[nH+]c12 ZINC000544680179 929434324 /nfs/dbraw/zinc/43/43/24/929434324.db2.gz MOUBKOFADGMQML-IBGZPJMESA-N 2 2 387.487 3.996 20 0 GHADLP Cc1cccn2cc(Cc3noc([C@H]4CCC[N@@H+](Cc5ccccc5)C4)n3)[nH+]c12 ZINC000544680179 929434331 /nfs/dbraw/zinc/43/43/31/929434331.db2.gz MOUBKOFADGMQML-IBGZPJMESA-N 2 2 387.487 3.996 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000545912910 929668931 /nfs/dbraw/zinc/66/89/31/929668931.db2.gz XCBDYBBGXSYOLO-UHFFFAOYSA-N 2 2 378.944 3.769 20 0 GHADLP CC[N@@H+](Cc1cc2c(cc1OC)OCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000546255380 929997989 /nfs/dbraw/zinc/99/79/89/929997989.db2.gz HFKIIHHARBPGGI-IBGZPJMESA-N 2 2 382.504 3.768 20 0 GHADLP CC[N@H+](Cc1cc2c(cc1OC)OCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000546255380 929997993 /nfs/dbraw/zinc/99/79/93/929997993.db2.gz HFKIIHHARBPGGI-IBGZPJMESA-N 2 2 382.504 3.768 20 0 GHADLP CC[NH+](Cc1cc2c(cc1OC)OCO2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546255380 929997998 /nfs/dbraw/zinc/99/79/98/929997998.db2.gz HFKIIHHARBPGGI-IBGZPJMESA-N 2 2 382.504 3.768 20 0 GHADLP CC[NH+](Cc1cc2c(cc1OC)OCO2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546255380 929998004 /nfs/dbraw/zinc/99/80/04/929998004.db2.gz HFKIIHHARBPGGI-IBGZPJMESA-N 2 2 382.504 3.768 20 0 GHADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(Br)c3OC(F)F)C[C@H]21 ZINC000469892454 930239175 /nfs/dbraw/zinc/23/91/75/930239175.db2.gz ZFQXTFYCHDNJJC-ZKYQVNSYSA-N 2 2 375.257 3.610 20 0 GHADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(Br)c3OC(F)F)C[C@H]21 ZINC000469892454 930239186 /nfs/dbraw/zinc/23/91/86/930239186.db2.gz ZFQXTFYCHDNJJC-ZKYQVNSYSA-N 2 2 375.257 3.610 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(OC3CCCCC3)cc2)CC1 ZINC000546619896 930301553 /nfs/dbraw/zinc/30/15/53/930301553.db2.gz WSNLGQUCKLKUSC-UHFFFAOYSA-N 2 2 388.552 3.905 20 0 GHADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000470135031 930398209 /nfs/dbraw/zinc/39/82/09/930398209.db2.gz ULXIPRGQXGQEKW-UEXGIBASSA-N 2 2 375.557 3.601 20 0 GHADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000470135031 930398219 /nfs/dbraw/zinc/39/82/19/930398219.db2.gz ULXIPRGQXGQEKW-UEXGIBASSA-N 2 2 375.557 3.601 20 0 GHADLP CC(C)[C@H](C[NH2+][C@H](c1cc2ccccc2o1)c1ccccn1)N1CC[NH+](C)CC1 ZINC000924634139 931456809 /nfs/dbraw/zinc/45/68/09/931456809.db2.gz YABUKBJUJKNPMX-URXFXBBRSA-N 2 2 392.547 3.779 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cn2c(n1)CCCC2 ZINC000924963484 931596672 /nfs/dbraw/zinc/59/66/72/931596672.db2.gz JWAPHQAUMGWAQH-IAGOWNOFSA-N 2 2 385.531 3.522 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)CC1 ZINC000925002006 931608440 /nfs/dbraw/zinc/60/84/40/931608440.db2.gz PYUIZYCHXYLGIO-QFIPXVFZSA-N 2 2 381.564 3.714 20 0 GHADLP O=C(NCc1ccncc1)Nc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000925059230 931630074 /nfs/dbraw/zinc/63/00/74/931630074.db2.gz GWKQILLERQTCIN-FGZHOGPDSA-N 2 2 393.535 3.510 20 0 GHADLP O=C(NCc1ccncc1)Nc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000925059230 931630078 /nfs/dbraw/zinc/63/00/78/931630078.db2.gz GWKQILLERQTCIN-FGZHOGPDSA-N 2 2 393.535 3.510 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@]3(CCN(c4cc(N5CCCCC5)[nH+]cn4)C3)C2)cc1 ZINC000557736347 931640045 /nfs/dbraw/zinc/64/00/45/931640045.db2.gz CQSYTJOQYQKYEJ-HSZRJFAPSA-N 2 2 377.536 3.569 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@]3(CCN(c4cc(N5CCCCC5)[nH+]cn4)C3)C2)cc1 ZINC000557736347 931640047 /nfs/dbraw/zinc/64/00/47/931640047.db2.gz CQSYTJOQYQKYEJ-HSZRJFAPSA-N 2 2 377.536 3.569 20 0 GHADLP CCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCc2ccccc21 ZINC000558061438 931821505 /nfs/dbraw/zinc/82/15/05/931821505.db2.gz VLRUQQZBVQNSDW-JOCHJYFZSA-N 2 2 392.547 3.520 20 0 GHADLP CCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCc2ccccc21 ZINC000558061438 931821510 /nfs/dbraw/zinc/82/15/10/931821510.db2.gz VLRUQQZBVQNSDW-JOCHJYFZSA-N 2 2 392.547 3.520 20 0 GHADLP Cc1cc(C)cc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2cccnc2)c1 ZINC000925555274 931821669 /nfs/dbraw/zinc/82/16/69/931821669.db2.gz GCNURNVGUXEQMT-TZRRMPRUSA-N 2 2 379.548 3.755 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]CC3(CCOCC3)C1)CCS2 ZINC000925794745 931905791 /nfs/dbraw/zinc/90/57/91/931905791.db2.gz IXDVWZDIPYENQE-GOEBONIOSA-N 2 2 397.382 3.734 20 0 GHADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000784532101 931927030 /nfs/dbraw/zinc/92/70/30/931927030.db2.gz IJPKNSSYFRFQJP-INIZCTEOSA-N 2 2 395.532 3.651 20 0 GHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccnn1CC1CCC1 ZINC000925907206 931951815 /nfs/dbraw/zinc/95/18/15/931951815.db2.gz YFYZGIPZUOSWLG-KRWDZBQOSA-N 2 2 382.556 3.782 20 0 GHADLP Brc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2cccnc2)cc1 ZINC000926450196 932189197 /nfs/dbraw/zinc/18/91/97/932189197.db2.gz LBKZCDKYHWXMLB-QFBILLFUSA-N 2 2 383.293 3.804 20 0 GHADLP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000926867030 932330763 /nfs/dbraw/zinc/33/07/63/932330763.db2.gz ZUHZCRMUMAPNGB-USCONSEESA-N 2 2 380.467 3.619 20 0 GHADLP CCS(=O)(=O)c1ccccc1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000926912486 932347091 /nfs/dbraw/zinc/34/70/91/932347091.db2.gz YPZXLKATHPBMDY-QGZVFWFLSA-N 2 2 383.517 3.559 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000559312304 932593618 /nfs/dbraw/zinc/59/36/18/932593618.db2.gz SCIFLUUYQQSMLK-NBGIEHNGSA-N 2 2 391.559 3.698 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000559312304 932593625 /nfs/dbraw/zinc/59/36/25/932593625.db2.gz SCIFLUUYQQSMLK-NBGIEHNGSA-N 2 2 391.559 3.698 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000559312304 932593629 /nfs/dbraw/zinc/59/36/29/932593629.db2.gz SCIFLUUYQQSMLK-NBGIEHNGSA-N 2 2 391.559 3.698 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000559312304 932593636 /nfs/dbraw/zinc/59/36/36/932593636.db2.gz SCIFLUUYQQSMLK-NBGIEHNGSA-N 2 2 391.559 3.698 20 0 GHADLP CC[NH+](CC)CCNC(=O)c1ccc(NCc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000559998406 933008022 /nfs/dbraw/zinc/00/80/22/933008022.db2.gz UWMOOAGFAJAMNP-UHFFFAOYSA-N 2 2 397.548 3.618 20 0 GHADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000560346878 933213938 /nfs/dbraw/zinc/21/39/38/933213938.db2.gz SEHNXPYWYPPBDN-WJMWBRGCSA-N 2 2 378.520 3.502 20 0 GHADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000560346878 933213944 /nfs/dbraw/zinc/21/39/44/933213944.db2.gz SEHNXPYWYPPBDN-WJMWBRGCSA-N 2 2 378.520 3.502 20 0 GHADLP Cc1cc(C)c(NC(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)[nH+]1 ZINC000560429731 933255217 /nfs/dbraw/zinc/25/52/17/933255217.db2.gz BIKHHLGZNJTECL-ROUUACIJSA-N 2 2 388.556 3.750 20 0 GHADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000560548406 933333121 /nfs/dbraw/zinc/33/31/21/933333121.db2.gz HLZTYNQLUHIWLK-WZONZLPQSA-N 2 2 375.520 3.829 20 0 GHADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000560548406 933333132 /nfs/dbraw/zinc/33/31/32/933333132.db2.gz HLZTYNQLUHIWLK-WZONZLPQSA-N 2 2 375.520 3.829 20 0 GHADLP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000560608474 933382783 /nfs/dbraw/zinc/38/27/83/933382783.db2.gz QAFYDNUQZFSZLI-HRAATJIYSA-N 2 2 392.465 3.818 20 0 GHADLP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000560608474 933382790 /nfs/dbraw/zinc/38/27/90/933382790.db2.gz QAFYDNUQZFSZLI-HRAATJIYSA-N 2 2 392.465 3.818 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)ccc1OC(=O)C1CC1 ZINC001116444098 933562101 /nfs/dbraw/zinc/56/21/01/933562101.db2.gz QIIMJYKEKIOJOT-IBGZPJMESA-N 2 2 395.503 3.791 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)ccc1OC(=O)C1CC1 ZINC001116444098 933562112 /nfs/dbraw/zinc/56/21/12/933562112.db2.gz QIIMJYKEKIOJOT-IBGZPJMESA-N 2 2 395.503 3.791 20 0 GHADLP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118490631 934180694 /nfs/dbraw/zinc/18/06/94/934180694.db2.gz FFVKCCQHZYBOPC-KDOFPFPSSA-N 2 2 399.760 3.933 20 0 GHADLP Fc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001137659032 935681827 /nfs/dbraw/zinc/68/18/27/935681827.db2.gz GTYFPMWNMYHLJX-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001137659032 935681832 /nfs/dbraw/zinc/68/18/32/935681832.db2.gz GTYFPMWNMYHLJX-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cc(Cl)ccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001137659032 935681833 /nfs/dbraw/zinc/68/18/33/935681833.db2.gz GTYFPMWNMYHLJX-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cc(Cl)ccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001137659032 935681836 /nfs/dbraw/zinc/68/18/36/935681836.db2.gz GTYFPMWNMYHLJX-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(F)c1F)CC2 ZINC001137937340 935879893 /nfs/dbraw/zinc/87/98/93/935879893.db2.gz RCHWVZDNVOVEOQ-INIZCTEOSA-N 2 2 394.437 3.952 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(F)c1F)CC2 ZINC001137937340 935879896 /nfs/dbraw/zinc/87/98/96/935879896.db2.gz RCHWVZDNVOVEOQ-INIZCTEOSA-N 2 2 394.437 3.952 20 0 GHADLP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(C)cc1I ZINC001205703122 1033538581 /nfs/dbraw/zinc/53/85/81/1033538581.db2.gz WOTFKPJVSGWHFA-CRAIPNDOSA-N 2 2 398.332 3.824 20 0 GHADLP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(C)cc1I ZINC001205703122 1033538588 /nfs/dbraw/zinc/53/85/88/1033538588.db2.gz WOTFKPJVSGWHFA-CRAIPNDOSA-N 2 2 398.332 3.824 20 0 GHADLP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(C)cc1I ZINC001205703122 1033538592 /nfs/dbraw/zinc/53/85/92/1033538592.db2.gz WOTFKPJVSGWHFA-CRAIPNDOSA-N 2 2 398.332 3.824 20 0 GHADLP C[NH+](C)CCOc1ccccc1-c1noc(-c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000545788168 1016382913 /nfs/dbraw/zinc/38/29/13/1016382913.db2.gz FTSWAXJVIXTBHC-UHFFFAOYSA-N 2 2 375.432 3.530 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)c1C ZINC000469070303 1016410276 /nfs/dbraw/zinc/41/02/76/1016410276.db2.gz RFJDLSLBSGBQSN-UHFFFAOYSA-N 2 2 376.460 3.540 20 0 GHADLP CSc1cc[nH+]c(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155361427 1032519443 /nfs/dbraw/zinc/51/94/43/1032519443.db2.gz MDBPOVJMSNTOPL-LJQANCHMSA-N 3 2 382.577 3.717 20 0 GHADLP CSc1cc[nH+]c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155361427 1032519450 /nfs/dbraw/zinc/51/94/50/1032519450.db2.gz MDBPOVJMSNTOPL-LJQANCHMSA-N 3 2 382.577 3.717 20 0 GHADLP COc1ccc2c(c1)[nH+]c(NC[C@@H]1CO[C@@H]3C[NH2+]C[C@H]13)cc2-c1ccccc1 ZINC001155484743 1032559049 /nfs/dbraw/zinc/55/90/49/1032559049.db2.gz PZIDDDNETMIQOF-BSLALVQMSA-N 2 2 375.472 3.557 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc2ccccc21 ZINC000561076658 1017788625 /nfs/dbraw/zinc/78/86/25/1017788625.db2.gz GJDRNKPIEAOLLA-MOPGFXCFSA-N 2 2 388.515 3.623 20 0 GHADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[NH+](Cc4ccsc4)CC3)ccc21 ZINC000562622487 1018421506 /nfs/dbraw/zinc/42/15/06/1018421506.db2.gz DIFVCPBVRHILEO-HXUWFJFHSA-N 2 2 384.549 3.647 20 0 GHADLP CCn1ccnc1C[N@H+](C/C=C\c1ccccc1OC)[C@H]1CC12CC[NH2+]CC2 ZINC000562630667 1018445131 /nfs/dbraw/zinc/44/51/31/1018445131.db2.gz JMIOXBFYGTZSMH-LHFJYWTJSA-N 2 2 380.536 3.569 20 0 GHADLP CCn1ccnc1C[N@@H+](C/C=C\c1ccccc1OC)[C@H]1CC12CC[NH2+]CC2 ZINC000562630667 1018445141 /nfs/dbraw/zinc/44/51/41/1018445141.db2.gz JMIOXBFYGTZSMH-LHFJYWTJSA-N 2 2 380.536 3.569 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc(C(F)(F)F)ccc4F)C[C@H]3C2)cn1 ZINC001204474350 1032912145 /nfs/dbraw/zinc/91/21/45/1032912145.db2.gz ZIAPIZZSTUKYAZ-NVXWUHKLSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc(C(F)(F)F)ccc4F)C[C@H]3C2)cn1 ZINC001204474350 1032912149 /nfs/dbraw/zinc/91/21/49/1032912149.db2.gz ZIAPIZZSTUKYAZ-NVXWUHKLSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc(C(F)(F)F)ccc4F)C[C@H]3C2)cn1 ZINC001204474350 1032912156 /nfs/dbraw/zinc/91/21/56/1032912156.db2.gz ZIAPIZZSTUKYAZ-NVXWUHKLSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc(C(F)(F)F)ccc4F)C[C@H]3C2)cn1 ZINC001204474350 1032912162 /nfs/dbraw/zinc/91/21/62/1032912162.db2.gz ZIAPIZZSTUKYAZ-NVXWUHKLSA-N 2 2 396.432 3.532 20 0 GHADLP Cc1c[nH+]c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1N1CCCC1 ZINC001156315112 1032976835 /nfs/dbraw/zinc/97/68/35/1032976835.db2.gz JUELXQCHSYRYSD-PCCBWWKXSA-N 2 2 377.536 3.708 20 0 GHADLP Cc1c[nH+]c(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1N1CCCC1 ZINC001156315112 1032976837 /nfs/dbraw/zinc/97/68/37/1032976837.db2.gz JUELXQCHSYRYSD-PCCBWWKXSA-N 2 2 377.536 3.708 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccc3n[nH]cc3c1)CC2 ZINC001140385304 1021538596 /nfs/dbraw/zinc/53/85/96/1021538596.db2.gz BNYOBZVYZUCNFV-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccc3n[nH]cc3c1)CC2 ZINC001140385304 1021538599 /nfs/dbraw/zinc/53/85/99/1021538599.db2.gz BNYOBZVYZUCNFV-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP Clc1cc2ccccc2c(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000903453559 1021600775 /nfs/dbraw/zinc/60/07/75/1021600775.db2.gz BUGTXHYFHCKYCL-UHFFFAOYSA-N 2 2 381.911 3.568 20 0 GHADLP COc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)cc1F ZINC001204624837 1032998038 /nfs/dbraw/zinc/99/80/38/1032998038.db2.gz CGRZLFRTNFWFOT-UHFFFAOYSA-N 2 2 396.409 3.849 20 0 GHADLP COc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)cc1F ZINC001204624837 1032998043 /nfs/dbraw/zinc/99/80/43/1032998043.db2.gz CGRZLFRTNFWFOT-UHFFFAOYSA-N 2 2 396.409 3.849 20 0 GHADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC001228627666 1033018494 /nfs/dbraw/zinc/01/84/94/1033018494.db2.gz ODJCKNZTVRDWPL-LKUPVBHCSA-N 2 2 398.576 3.617 20 0 GHADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC001228627666 1033018511 /nfs/dbraw/zinc/01/85/11/1033018511.db2.gz ODJCKNZTVRDWPL-LKUPVBHCSA-N 2 2 398.576 3.617 20 0 GHADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001228627666 1033018525 /nfs/dbraw/zinc/01/85/25/1033018525.db2.gz ODJCKNZTVRDWPL-LKUPVBHCSA-N 2 2 398.576 3.617 20 0 GHADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001228627666 1033018541 /nfs/dbraw/zinc/01/85/41/1033018541.db2.gz ODJCKNZTVRDWPL-LKUPVBHCSA-N 2 2 398.576 3.617 20 0 GHADLP O=C(O[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835288814 1022006712 /nfs/dbraw/zinc/00/67/12/1022006712.db2.gz CCILOEDKXXRWTF-QFIPXVFZSA-N 2 2 375.472 3.753 20 0 GHADLP O=C(O[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835288814 1022006722 /nfs/dbraw/zinc/00/67/22/1022006722.db2.gz CCILOEDKXXRWTF-QFIPXVFZSA-N 2 2 375.472 3.753 20 0 GHADLP Brc1ccc(CN2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)cc1 ZINC001140803722 1022573968 /nfs/dbraw/zinc/57/39/68/1022573968.db2.gz TZVMNJLGJRDKAD-UHFFFAOYSA-N 2 2 385.309 3.643 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1c[nH]nc1C(F)(F)F)CC2 ZINC001141014545 1023210854 /nfs/dbraw/zinc/21/08/54/1023210854.db2.gz PZVCEQKSDIOTPZ-UHFFFAOYSA-N 2 2 397.445 3.664 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1c[nH]nc1C(F)(F)F)CC2 ZINC001141014545 1023210864 /nfs/dbraw/zinc/21/08/64/1023210864.db2.gz PZVCEQKSDIOTPZ-UHFFFAOYSA-N 2 2 397.445 3.664 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@H+](Cn3nc(Cc4ccccc4F)oc3=S)C2)CC1 ZINC000755773805 1023371689 /nfs/dbraw/zinc/37/16/89/1023371689.db2.gz AORQAUZKANMVIH-KRWDZBQOSA-N 2 2 390.528 3.557 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3nc(Cc4ccccc4F)oc3=S)C2)CC1 ZINC000755773805 1023371700 /nfs/dbraw/zinc/37/17/00/1023371700.db2.gz AORQAUZKANMVIH-KRWDZBQOSA-N 2 2 390.528 3.557 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@H+](Cn3[nH]c(/C=C\c4ccccc4)nc3=S)C2)CC1 ZINC000755780129 1023374216 /nfs/dbraw/zinc/37/42/16/1023374216.db2.gz WCTONRHPYWIMGF-FQQSSWHASA-N 2 2 383.565 3.732 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3[nH]c(/C=C\c4ccccc4)nc3=S)C2)CC1 ZINC000755780129 1023374223 /nfs/dbraw/zinc/37/42/23/1023374223.db2.gz WCTONRHPYWIMGF-FQQSSWHASA-N 2 2 383.565 3.732 20 0 GHADLP O=C(CC1CCC2(CC1)CC[NH+](Cc1ccn3cc[nH+]c3c1)CC2)N1CC=CC1 ZINC001141047071 1023381683 /nfs/dbraw/zinc/38/16/83/1023381683.db2.gz ATIVBGGCHJPVJJ-UHFFFAOYSA-N 2 2 392.547 3.895 20 0 GHADLP Fc1ccc(-c2cc(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)ccn2)cc1 ZINC001141117703 1023538269 /nfs/dbraw/zinc/53/82/69/1023538269.db2.gz UAHQDSNVCFMBRT-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(-c2cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)ccn2)cc1 ZINC001141117703 1023538274 /nfs/dbraw/zinc/53/82/74/1023538274.db2.gz UAHQDSNVCFMBRT-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(-c2cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)ccn2)cc1 ZINC001141117703 1023538281 /nfs/dbraw/zinc/53/82/81/1023538281.db2.gz UAHQDSNVCFMBRT-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(-c2cc(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)ccn2)cc1 ZINC001141117703 1023538288 /nfs/dbraw/zinc/53/82/88/1023538288.db2.gz UAHQDSNVCFMBRT-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccnc(-c4ccc(F)cc4)c3)CC2)c1 ZINC001141122247 1023543727 /nfs/dbraw/zinc/54/37/27/1023543727.db2.gz SWEYHKKKNRFXRM-UHFFFAOYSA-N 2 2 378.451 3.614 20 0 GHADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(C)(C)[C@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000830553388 1023982183 /nfs/dbraw/zinc/98/21/83/1023982183.db2.gz GTDWAGAMKCKEQM-JOCHJYFZSA-N 2 2 394.563 3.564 20 0 GHADLP Fc1ccc(-c2cccc(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)n2)cc1 ZINC001141207402 1024132966 /nfs/dbraw/zinc/13/29/66/1024132966.db2.gz YVWTWPXVZRJCEI-WOJBJXKFSA-N 2 2 388.490 3.847 20 0 GHADLP C[NH+]1CCN(Cc2ccc(Nc3ccn4cc[nH+]c4c3)cc2C(F)(F)F)CC1 ZINC001204990881 1033198209 /nfs/dbraw/zinc/19/82/09/1033198209.db2.gz HXOLOWSKVNQAAG-UHFFFAOYSA-N 2 2 389.425 3.844 20 0 GHADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001138373482 1024738393 /nfs/dbraw/zinc/73/83/93/1024738393.db2.gz AXZSVUORYHZKMM-HSQYWUDLSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001138373482 1024738405 /nfs/dbraw/zinc/73/84/05/1024738405.db2.gz AXZSVUORYHZKMM-HSQYWUDLSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)cc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001138373482 1024738413 /nfs/dbraw/zinc/73/84/13/1024738413.db2.gz AXZSVUORYHZKMM-HSQYWUDLSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)cc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001138373482 1024738423 /nfs/dbraw/zinc/73/84/23/1024738423.db2.gz AXZSVUORYHZKMM-HSQYWUDLSA-N 2 2 383.511 3.962 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1cccc(-c3ccsc3)c1)CC2 ZINC001141379687 1024785226 /nfs/dbraw/zinc/78/52/26/1024785226.db2.gz RYYHODZUTRELAQ-UHFFFAOYSA-N 2 2 383.561 3.592 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1cccc(-c3ccsc3)c1)CC2 ZINC001141379687 1024785230 /nfs/dbraw/zinc/78/52/30/1024785230.db2.gz RYYHODZUTRELAQ-UHFFFAOYSA-N 2 2 383.561 3.592 20 0 GHADLP CCOc1ccccc1N1CC[NH+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138542707 1024984958 /nfs/dbraw/zinc/98/49/58/1024984958.db2.gz FWRMCAVQFMAJSV-UHFFFAOYSA-N 2 2 376.504 3.902 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCn3cnc(COC(C)C)c3C2)cc1 ZINC001138549697 1024996786 /nfs/dbraw/zinc/99/67/86/1024996786.db2.gz STPHFQSRCDCRKT-UHFFFAOYSA-N 2 2 379.508 3.708 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCn3cnc(COC(C)C)c3C2)cc1 ZINC001138549697 1024996795 /nfs/dbraw/zinc/99/67/95/1024996795.db2.gz STPHFQSRCDCRKT-UHFFFAOYSA-N 2 2 379.508 3.708 20 0 GHADLP Brc1ccc2c(C3C[NH+](Cc4cnc5[nH]ccc5c4)C3)[nH+]cn2c1 ZINC001138737083 1025273462 /nfs/dbraw/zinc/27/34/62/1025273462.db2.gz BRKHHUMGAUUPJA-UHFFFAOYSA-N 2 2 382.265 3.573 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cnc3[nH]ccc3c1)CC2 ZINC001138743561 1025282570 /nfs/dbraw/zinc/28/25/70/1025282570.db2.gz CBYROPYFLHVJGG-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cnc3[nH]ccc3c1)CC2 ZINC001138743561 1025282583 /nfs/dbraw/zinc/28/25/83/1025282583.db2.gz CBYROPYFLHVJGG-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP COc1ccc(Br)c2nc(Cl)c(C[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)cc12 ZINC001205150414 1033274146 /nfs/dbraw/zinc/27/41/46/1033274146.db2.gz BEXJYWJSYVUONL-CMPLNLGQSA-N 2 2 398.732 3.686 20 0 GHADLP COc1ccc(Br)c2nc(Cl)c(C[N@H+]3C[C@H](C)[C@H](C[NH3+])C3)cc12 ZINC001205150414 1033274152 /nfs/dbraw/zinc/27/41/52/1033274152.db2.gz BEXJYWJSYVUONL-CMPLNLGQSA-N 2 2 398.732 3.686 20 0 GHADLP C[NH+]1CCN(c2cccc(NCCc3ccc(Oc4ccccc4)nc3)[nH+]2)CC1 ZINC001162582147 1025807052 /nfs/dbraw/zinc/80/70/52/1025807052.db2.gz PADQGQKZAHLVEO-UHFFFAOYSA-N 2 2 389.503 3.675 20 0 GHADLP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001461030576 1069348095 /nfs/dbraw/zinc/34/80/95/1069348095.db2.gz OSIUWNOKRLAHAA-UHFFFAOYSA-N 2 2 375.451 3.854 20 0 GHADLP CC[NH+]1CCC(CC2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)CC1 ZINC001139059677 1025850111 /nfs/dbraw/zinc/85/01/11/1025850111.db2.gz GEFNTSKHTMQJIP-UHFFFAOYSA-N 3 2 399.623 3.853 20 0 GHADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC4(CC[NH2+]CC4)c4ccc(C)cc43)nn2)c1C ZINC001163032360 1026014749 /nfs/dbraw/zinc/01/47/49/1026014749.db2.gz VZADHCDBVOEIPY-HXUWFJFHSA-N 2 2 388.519 3.766 20 0 GHADLP COCC[N@H+](C)CCC[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC001461055788 1069364849 /nfs/dbraw/zinc/36/48/49/1069364849.db2.gz QAZSSWJCQOVBTH-UHFFFAOYSA-N 2 2 398.370 3.631 20 0 GHADLP COCC[N@@H+](C)CCC[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC001461055788 1069364852 /nfs/dbraw/zinc/36/48/52/1069364852.db2.gz QAZSSWJCQOVBTH-UHFFFAOYSA-N 2 2 398.370 3.631 20 0 GHADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cn(C(=O)OC(C)(C)C)c4ccc(OC)cc34)C[C@H]2C1 ZINC001139298630 1026152379 /nfs/dbraw/zinc/15/23/79/1026152379.db2.gz YKUXZMLDMKCGGZ-IAGOWNOFSA-N 2 2 399.535 3.817 20 0 GHADLP CS(=O)(=O)c1cccc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC001139363302 1026238049 /nfs/dbraw/zinc/23/80/49/1026238049.db2.gz BEMGNDMLTCOGNA-UHFFFAOYSA-N 2 2 395.528 3.655 20 0 GHADLP Clc1ccc(Cn2cc(C[N@H+]3CCc4[nH+]ccn4CC3)c3ccccc32)cn1 ZINC001139447382 1026314224 /nfs/dbraw/zinc/31/42/24/1026314224.db2.gz RSXBVWZEEJXBRC-UHFFFAOYSA-N 2 2 391.906 3.993 20 0 GHADLP Clc1ccc(Cn2cc(C[N@@H+]3CCc4[nH+]ccn4CC3)c3ccccc32)cn1 ZINC001139447382 1026314231 /nfs/dbraw/zinc/31/42/31/1026314231.db2.gz RSXBVWZEEJXBRC-UHFFFAOYSA-N 2 2 391.906 3.993 20 0 GHADLP c1cc(-c2ccc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)cn2)cs1 ZINC001139498805 1026355553 /nfs/dbraw/zinc/35/55/53/1026355553.db2.gz RIULWBOJMDRWMW-NHCUHLMSSA-N 2 2 376.529 3.769 20 0 GHADLP CCOc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)cc1Cl ZINC001139594734 1026458939 /nfs/dbraw/zinc/45/89/39/1026458939.db2.gz ZSJICAKRPBWDOJ-UGKGYDQZSA-N 2 2 392.971 3.919 20 0 GHADLP CCOc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)cc1Cl ZINC001139594734 1026458942 /nfs/dbraw/zinc/45/89/42/1026458942.db2.gz ZSJICAKRPBWDOJ-UGKGYDQZSA-N 2 2 392.971 3.919 20 0 GHADLP CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)cc1Cl ZINC001139594734 1026458946 /nfs/dbraw/zinc/45/89/46/1026458946.db2.gz ZSJICAKRPBWDOJ-UGKGYDQZSA-N 2 2 392.971 3.919 20 0 GHADLP CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)cc1Cl ZINC001139594734 1026458948 /nfs/dbraw/zinc/45/89/48/1026458948.db2.gz ZSJICAKRPBWDOJ-UGKGYDQZSA-N 2 2 392.971 3.919 20 0 GHADLP CCOc1ccncc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001139630789 1026497013 /nfs/dbraw/zinc/49/70/13/1026497013.db2.gz QCHFPYCIVHKPBR-UHFFFAOYSA-N 2 2 395.547 3.656 20 0 GHADLP CCOc1ccncc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001139630789 1026497018 /nfs/dbraw/zinc/49/70/18/1026497018.db2.gz QCHFPYCIVHKPBR-UHFFFAOYSA-N 2 2 395.547 3.656 20 0 GHADLP COC(=O)C[C@H](c1cc[nH+]c(N2CCC(C[NH3+])(c3ccccc3)CC2)c1)C1CC1 ZINC001164442863 1026515298 /nfs/dbraw/zinc/51/52/98/1026515298.db2.gz JGWNRFTXKSSGNK-NRFANRHFSA-N 2 2 393.531 3.635 20 0 GHADLP CC1(C)c2c[nH+]c(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)cc2NC1=O ZINC001164483531 1026524197 /nfs/dbraw/zinc/52/41/97/1026524197.db2.gz BZIGYSOCPKYNDS-ZIFCJYIRSA-N 2 2 376.504 3.634 20 0 GHADLP CC1(C)c2c[nH+]c(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)cc2NC1=O ZINC001164483531 1026524200 /nfs/dbraw/zinc/52/42/00/1026524200.db2.gz BZIGYSOCPKYNDS-ZIFCJYIRSA-N 2 2 376.504 3.634 20 0 GHADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)c1C ZINC001164486493 1026527139 /nfs/dbraw/zinc/52/71/39/1026527139.db2.gz OSXGXJXTFWWVIE-PWRODBHTSA-N 2 2 388.519 3.602 20 0 GHADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)c1C ZINC001164486493 1026527148 /nfs/dbraw/zinc/52/71/48/1026527148.db2.gz OSXGXJXTFWWVIE-PWRODBHTSA-N 2 2 388.519 3.602 20 0 GHADLP c1[nH+]c2n(c1-c1ccccc1)CCC21CC[NH+](Cc2cn3ccncc3n2)CC1 ZINC001139694941 1026544347 /nfs/dbraw/zinc/54/43/47/1026544347.db2.gz GTVHFOGTLBFQNI-UHFFFAOYSA-N 2 2 384.487 3.530 20 0 GHADLP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CC4(C3)C[NH+](Cc3ccccc3)C4)c12 ZINC001165123239 1026618401 /nfs/dbraw/zinc/61/84/01/1026618401.db2.gz NMOZAVGSKKQAAX-UHFFFAOYSA-N 2 2 395.510 3.802 20 0 GHADLP CCOC(=O)c1c(C)cc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)[nH+]c1C ZINC001165303976 1026698220 /nfs/dbraw/zinc/69/82/20/1026698220.db2.gz BFTYFBKKLPZXHG-CQSZACIVSA-N 2 2 385.430 3.528 20 0 GHADLP COc1cc2cc[nH+]c(N([C@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)c2cc1F ZINC001165672689 1026793204 /nfs/dbraw/zinc/79/32/04/1026793204.db2.gz WKBVZTMEQXMRLX-MRXNPFEDSA-N 2 2 387.499 3.899 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@@H]2C[C@@H](CN(C(=O)OC(C)(C)C)C2)C1 ZINC001140021388 1026805670 /nfs/dbraw/zinc/80/56/70/1026805670.db2.gz LGOBLRNXUVCMQA-KDURUIRLSA-N 2 2 396.535 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H]2C[C@@H](CN(C(=O)OC(C)(C)C)C2)C1 ZINC001140021388 1026805672 /nfs/dbraw/zinc/80/56/72/1026805672.db2.gz LGOBLRNXUVCMQA-KDURUIRLSA-N 2 2 396.535 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001140024677 1026811432 /nfs/dbraw/zinc/81/14/32/1026811432.db2.gz GPQJYKWROJQMED-JOCHJYFZSA-N 2 2 392.528 3.871 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001140024677 1026811441 /nfs/dbraw/zinc/81/14/41/1026811441.db2.gz GPQJYKWROJQMED-JOCHJYFZSA-N 2 2 392.528 3.871 20 0 GHADLP C[NH+]1CCC2(C[NH+](Cc3cc(C(F)(F)F)ccc3Br)C2)CC1 ZINC001140220631 1026997823 /nfs/dbraw/zinc/99/78/23/1026997823.db2.gz ZZWJPILQAGHPGF-UHFFFAOYSA-N 2 2 377.248 3.996 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc2c1OCO2 ZINC001209718647 1027115253 /nfs/dbraw/zinc/11/52/53/1027115253.db2.gz GZZHKSIMLXPHFB-XMMPIXPASA-N 2 2 394.515 3.912 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc2c1OCO2 ZINC001209718647 1027115260 /nfs/dbraw/zinc/11/52/60/1027115260.db2.gz GZZHKSIMLXPHFB-XMMPIXPASA-N 2 2 394.515 3.912 20 0 GHADLP COc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc2c1OCO2 ZINC001209718647 1027115266 /nfs/dbraw/zinc/11/52/66/1027115266.db2.gz GZZHKSIMLXPHFB-XMMPIXPASA-N 2 2 394.515 3.912 20 0 GHADLP COc1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc2c1OCO2 ZINC001209718647 1027115279 /nfs/dbraw/zinc/11/52/79/1027115279.db2.gz GZZHKSIMLXPHFB-XMMPIXPASA-N 2 2 394.515 3.912 20 0 GHADLP Cc1ccc([C@H](CNC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)[NH+]2CCCC2)o1 ZINC001209727473 1027123176 /nfs/dbraw/zinc/12/31/76/1027123176.db2.gz DUZIOTLZNFHOFW-IBGZPJMESA-N 2 2 397.523 3.932 20 0 GHADLP Clc1ccc2[nH]nc(C[NH+]3CCC(COCC[NH+]4CCCC4)CC3)c2c1 ZINC001209749729 1027140173 /nfs/dbraw/zinc/14/01/73/1027140173.db2.gz AMSUROQFMJIZOF-UHFFFAOYSA-N 2 2 376.932 3.541 20 0 GHADLP CC[NH+](CC)Cc1ccc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c(C)n2)cc1 ZINC001209821826 1027222038 /nfs/dbraw/zinc/22/20/38/1027222038.db2.gz BFYPNLGAALBHPR-IRXDYDNUSA-N 2 2 383.540 3.984 20 0 GHADLP CCCCOc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)OC)C3)CC2)cc1 ZINC001203971594 1027773100 /nfs/dbraw/zinc/77/31/00/1027773100.db2.gz DOYPDONYZSLXHN-HXUWFJFHSA-N 2 2 388.552 3.715 20 0 GHADLP CCCCOc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)OC)C3)CC2)cc1 ZINC001203971594 1027773119 /nfs/dbraw/zinc/77/31/19/1027773119.db2.gz DOYPDONYZSLXHN-HXUWFJFHSA-N 2 2 388.552 3.715 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)s1 ZINC001204035506 1027825646 /nfs/dbraw/zinc/82/56/46/1027825646.db2.gz ZOOJHYXDBQXBSE-VQIMIIECSA-N 2 2 377.579 3.544 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)s1 ZINC001204035506 1027825670 /nfs/dbraw/zinc/82/56/70/1027825670.db2.gz ZOOJHYXDBQXBSE-VQIMIIECSA-N 2 2 377.579 3.544 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4csc(C)n4)CCO[C@@H]3C2)s1 ZINC001204035506 1027825691 /nfs/dbraw/zinc/82/56/91/1027825691.db2.gz ZOOJHYXDBQXBSE-VQIMIIECSA-N 2 2 377.579 3.544 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4csc(C)n4)CCO[C@@H]3C2)s1 ZINC001204035506 1027825712 /nfs/dbraw/zinc/82/57/12/1027825712.db2.gz ZOOJHYXDBQXBSE-VQIMIIECSA-N 2 2 377.579 3.544 20 0 GHADLP CSc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cc1 ZINC001204139750 1027909518 /nfs/dbraw/zinc/90/95/18/1027909518.db2.gz NFRFGPKWWYSWBA-URVUXULASA-N 2 2 384.593 3.978 20 0 GHADLP CSc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cc1 ZINC001204139750 1027909521 /nfs/dbraw/zinc/90/95/21/1027909521.db2.gz NFRFGPKWWYSWBA-URVUXULASA-N 2 2 384.593 3.978 20 0 GHADLP CSc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc1 ZINC001204139750 1027909525 /nfs/dbraw/zinc/90/95/25/1027909525.db2.gz NFRFGPKWWYSWBA-URVUXULASA-N 2 2 384.593 3.978 20 0 GHADLP CSc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc1 ZINC001204139750 1027909528 /nfs/dbraw/zinc/90/95/28/1027909528.db2.gz NFRFGPKWWYSWBA-URVUXULASA-N 2 2 384.593 3.978 20 0 GHADLP CCOc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccc1OC(=O)CC ZINC000840885812 1027922215 /nfs/dbraw/zinc/92/22/15/1027922215.db2.gz HIYALUNQVIZHOT-UHFFFAOYSA-N 2 2 379.460 3.876 20 0 GHADLP C[NH+]1CCN(C2C[NH+](Cc3ccccc3Sc3ccc(Cl)cc3)C2)CC1 ZINC001142866400 1029606613 /nfs/dbraw/zinc/60/66/13/1029606613.db2.gz HXUMQXFKHABBNS-UHFFFAOYSA-N 2 2 387.980 3.923 20 0 GHADLP FC1(F)CC[N@H+](Cc2ccnc3[nH]ccc32)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001142873070 1029619073 /nfs/dbraw/zinc/61/90/73/1029619073.db2.gz DSFZJPXQDBPHTD-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[N@@H+](Cc2ccnc3[nH]ccc32)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001142873070 1029619077 /nfs/dbraw/zinc/61/90/77/1029619077.db2.gz DSFZJPXQDBPHTD-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2ccnc3[nH]ccc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001142873070 1029619082 /nfs/dbraw/zinc/61/90/82/1029619082.db2.gz DSFZJPXQDBPHTD-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2ccnc3[nH]ccc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001142873070 1029619086 /nfs/dbraw/zinc/61/90/86/1029619086.db2.gz DSFZJPXQDBPHTD-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4c(cn3)OCCO4)C[C@H]21 ZINC001143059131 1029818799 /nfs/dbraw/zinc/81/87/99/1029818799.db2.gz ZATUJWBJIQZXIQ-NSISKUIASA-N 2 2 399.560 3.647 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4c(cn3)OCCO4)C[C@H]21 ZINC001143059131 1029818806 /nfs/dbraw/zinc/81/88/06/1029818806.db2.gz ZATUJWBJIQZXIQ-NSISKUIASA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4c(cn3)OCCO4)C[C@H]21 ZINC001143059131 1029818812 /nfs/dbraw/zinc/81/88/12/1029818812.db2.gz ZATUJWBJIQZXIQ-NSISKUIASA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cn3)OCCO4)C[C@H]21 ZINC001143059131 1029818815 /nfs/dbraw/zinc/81/88/15/1029818815.db2.gz ZATUJWBJIQZXIQ-NSISKUIASA-N 2 2 399.560 3.647 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000843361195 1029939810 /nfs/dbraw/zinc/93/98/10/1029939810.db2.gz AVOKRCGCORMSLQ-XDNSSPFJSA-N 2 2 387.543 3.831 20 0 GHADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000843361195 1029939814 /nfs/dbraw/zinc/93/98/14/1029939814.db2.gz AVOKRCGCORMSLQ-XDNSSPFJSA-N 2 2 387.543 3.831 20 0 GHADLP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222601897 1030226186 /nfs/dbraw/zinc/22/61/86/1030226186.db2.gz CJTCJOWSBPAWAQ-GOSISDBHSA-N 2 2 392.421 3.783 20 0 GHADLP COc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222601897 1030226200 /nfs/dbraw/zinc/22/62/00/1030226200.db2.gz CJTCJOWSBPAWAQ-GOSISDBHSA-N 2 2 392.421 3.783 20 0 GHADLP CC1CCC(O)(C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)CC1 ZINC001461673421 1069671011 /nfs/dbraw/zinc/67/10/11/1069671011.db2.gz YFHBDJWPRKWMNP-UHFFFAOYSA-N 2 2 377.916 3.646 20 0 GHADLP Clc1ncc(C[N@@H+]2CCC[C@H](OCc3ccc4c(c3)CC[NH2+]C4)C2)s1 ZINC001217913364 1030672821 /nfs/dbraw/zinc/67/28/21/1030672821.db2.gz UOSQBZFAHXIYHU-KRWDZBQOSA-N 2 2 377.941 3.623 20 0 GHADLP Clc1ncc(C[N@H+]2CCC[C@H](OCc3ccc4c(c3)CC[NH2+]C4)C2)s1 ZINC001217913364 1030672828 /nfs/dbraw/zinc/67/28/28/1030672828.db2.gz UOSQBZFAHXIYHU-KRWDZBQOSA-N 2 2 377.941 3.623 20 0 GHADLP [NH3+]C1CC[NH+](Cc2ccccc2O[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)CC1 ZINC001218410719 1030927346 /nfs/dbraw/zinc/92/73/46/1030927346.db2.gz LDGPTMOKXRVNHD-NRFANRHFSA-N 3 2 399.966 3.916 20 0 GHADLP [NH3+]C1CC[NH+](Cc2ccccc2O[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC001218410719 1030927357 /nfs/dbraw/zinc/92/73/57/1030927357.db2.gz LDGPTMOKXRVNHD-NRFANRHFSA-N 3 2 399.966 3.916 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C2C[NH+](C3CCCCC3)C2)c(C)c1 ZINC001151919011 1031051006 /nfs/dbraw/zinc/05/10/06/1031051006.db2.gz YVBFKCRWWBLHCR-JOCHJYFZSA-N 2 2 380.536 3.622 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccccc1Cl ZINC001219027709 1031220356 /nfs/dbraw/zinc/22/03/56/1031220356.db2.gz AECCOWZMQOOJQL-HXUWFJFHSA-N 2 2 387.911 3.844 20 0 GHADLP CN(C(=O)/C=C\CCc1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001153505919 1031622242 /nfs/dbraw/zinc/62/22/42/1031622242.db2.gz WGORFSUOEHXEKH-IKCZXJETSA-N 2 2 397.607 3.971 20 0 GHADLP CN(C(=O)/C=C\CCc1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001153505919 1031622250 /nfs/dbraw/zinc/62/22/50/1031622250.db2.gz WGORFSUOEHXEKH-IKCZXJETSA-N 2 2 397.607 3.971 20 0 GHADLP C[C@H](CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)[N@@H+]1CCCC[C@@H]1C ZINC001220627127 1032026770 /nfs/dbraw/zinc/02/67/70/1032026770.db2.gz VEBMMEXLADWRRK-JKSUJKDBSA-N 2 2 389.931 3.588 20 0 GHADLP C[C@H](CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)[N@H+]1CCCC[C@@H]1C ZINC001220627127 1032026784 /nfs/dbraw/zinc/02/67/84/1032026784.db2.gz VEBMMEXLADWRRK-JKSUJKDBSA-N 2 2 389.931 3.588 20 0 GHADLP Cc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(C)cc1I ZINC001205703122 1033538580 /nfs/dbraw/zinc/53/85/80/1033538580.db2.gz WOTFKPJVSGWHFA-CRAIPNDOSA-N 2 2 398.332 3.824 20 0 GHADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCC(C)([NH+]4CCCC4)CC3)n2)cc1 ZINC001157658120 1033707401 /nfs/dbraw/zinc/70/74/01/1033707401.db2.gz DFSDPZNGVUEONN-UHFFFAOYSA-N 2 2 395.551 3.576 20 0 GHADLP [NH3+]CCC1CC[NH+](Cc2c(F)ccc(Br)c2Br)CC1 ZINC001206506617 1033881246 /nfs/dbraw/zinc/88/12/46/1033881246.db2.gz HLIIRZDRLLNKPZ-UHFFFAOYSA-N 2 2 394.126 3.912 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1cccc2c1C1(CC2)CC[NH2+]CC1 ZINC001206510556 1033882630 /nfs/dbraw/zinc/88/26/30/1033882630.db2.gz REYPHELEVFECPX-UHFFFAOYSA-N 2 2 392.543 3.762 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc4cnn([C@H]5CCCCO5)c4c3)c2)C1 ZINC001206675937 1033939931 /nfs/dbraw/zinc/93/99/31/1033939931.db2.gz QHEUNDYYAPBQMQ-FYYLOGMGSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc4cnn([C@H]5CCCCO5)c4c3)c2)C1 ZINC001206675937 1033939933 /nfs/dbraw/zinc/93/99/33/1033939933.db2.gz QHEUNDYYAPBQMQ-FYYLOGMGSA-N 2 2 376.504 3.935 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c(C)nn(C(=O)OC(C)(C)C)c2C)CC1 ZINC001206809895 1033993889 /nfs/dbraw/zinc/99/38/89/1033993889.db2.gz ZIGKZGFVIZQDRA-UHFFFAOYSA-N 2 2 399.539 3.726 20 0 GHADLP Cc1c[nH+]c(N(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)nc1NCC1CC1 ZINC001158446332 1034080893 /nfs/dbraw/zinc/08/08/93/1034080893.db2.gz PZVXFBFSTOWHEA-UHFFFAOYSA-N 2 2 383.515 3.847 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCC23CC(NC(=O)OC(C)(C)C)(C2)C3)C1 ZINC001207226843 1034192327 /nfs/dbraw/zinc/19/23/27/1034192327.db2.gz DKSNXOILAXYXBM-PPNDLDFTSA-N 2 2 387.524 3.681 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCC23CC(NC(=O)OC(C)(C)C)(C2)C3)C1 ZINC001207226843 1034192335 /nfs/dbraw/zinc/19/23/35/1034192335.db2.gz DKSNXOILAXYXBM-PPNDLDFTSA-N 2 2 387.524 3.681 20 0 GHADLP CCO[C@@H]1C[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)C12CCCC2 ZINC001207502475 1034407096 /nfs/dbraw/zinc/40/70/96/1034407096.db2.gz UYMULYHSEVDYKQ-FGZHOGPDSA-N 2 2 386.580 3.995 20 0 GHADLP CCO[C@@H]1C[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)C12CCCC2 ZINC001207502475 1034407105 /nfs/dbraw/zinc/40/71/05/1034407105.db2.gz UYMULYHSEVDYKQ-FGZHOGPDSA-N 2 2 386.580 3.995 20 0 GHADLP Cc1nc(Nc2ccc(C3CC[NH2+]CC3)cc2)cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001159227790 1034495652 /nfs/dbraw/zinc/49/56/52/1034495652.db2.gz MUSHHQSZUSDJCF-IYBDPMFKSA-N 2 2 381.524 3.609 20 0 GHADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC001207741949 1034552264 /nfs/dbraw/zinc/55/22/64/1034552264.db2.gz MVYYACZMZGZOPP-GBESFXJTSA-N 2 2 385.552 3.550 20 0 GHADLP CN(C)c1ccc2cc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)ccc2c1 ZINC001231441177 1034589752 /nfs/dbraw/zinc/58/97/52/1034589752.db2.gz OWQLUKHDJPSKNQ-DNQXCXABSA-N 2 2 386.543 3.865 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1nc2ccccc2n1C(F)F ZINC001207873527 1034633979 /nfs/dbraw/zinc/63/39/79/1034633979.db2.gz YBUSPAIWWXWVQE-GDBMZVCRSA-N 2 2 378.467 3.725 20 0 GHADLP CC(C)OCc1nn(CC2CC2)c2c1C[N@H+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208184332 1034780113 /nfs/dbraw/zinc/78/01/13/1034780113.db2.gz AYNMSFWBOLYJRO-UHFFFAOYSA-N 2 2 388.600 3.698 20 0 GHADLP CC(C)OCc1nn(CC2CC2)c2c1C[N@@H+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208184332 1034780126 /nfs/dbraw/zinc/78/01/26/1034780126.db2.gz AYNMSFWBOLYJRO-UHFFFAOYSA-N 2 2 388.600 3.698 20 0 GHADLP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001208205668 1034796750 /nfs/dbraw/zinc/79/67/50/1034796750.db2.gz KIIFSJBQTBGVDP-LJQANCHMSA-N 2 2 376.589 3.916 20 0 GHADLP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001208205668 1034796759 /nfs/dbraw/zinc/79/67/59/1034796759.db2.gz KIIFSJBQTBGVDP-LJQANCHMSA-N 2 2 376.589 3.916 20 0 GHADLP Nc1cc(F)ccc1N(CC1CC[NH2+]CC1)c1ccc(N2CCCCC2)[nH+]c1 ZINC001160092586 1034855948 /nfs/dbraw/zinc/85/59/48/1034855948.db2.gz VQIGGMWJPLWCKU-UHFFFAOYSA-N 2 2 383.515 3.931 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)c(O)c1)CC2 ZINC001231729968 1034866789 /nfs/dbraw/zinc/86/67/89/1034866789.db2.gz DGJRRUIKWZQKPE-KRWDZBQOSA-N 2 2 390.911 3.894 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)c(O)c1)CC2 ZINC001231729968 1034866799 /nfs/dbraw/zinc/86/67/99/1034866799.db2.gz DGJRRUIKWZQKPE-KRWDZBQOSA-N 2 2 390.911 3.894 20 0 GHADLP Fc1ccc(OC2CC[NH2+]CC2)c(Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC001160135160 1034876723 /nfs/dbraw/zinc/87/67/23/1034876723.db2.gz WELHNJXBBVBZPN-UHFFFAOYSA-N 2 2 385.483 3.532 20 0 GHADLP CC(C)Oc1ncccc1C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001231758051 1034889564 /nfs/dbraw/zinc/88/95/64/1034889564.db2.gz JSWSMPPDVKITDM-FQEVSTJZSA-N 2 2 399.535 3.717 20 0 GHADLP CC(C)Oc1ncccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001231758051 1034889575 /nfs/dbraw/zinc/88/95/75/1034889575.db2.gz JSWSMPPDVKITDM-FQEVSTJZSA-N 2 2 399.535 3.717 20 0 GHADLP CCCCc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)cc1 ZINC001231781154 1034904780 /nfs/dbraw/zinc/90/47/80/1034904780.db2.gz FSBUHBPYDPNFFD-UHFFFAOYSA-N 2 2 385.596 3.794 20 0 GHADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@H]2COC3(CCCCC3)O2)CC1 ZINC001208645228 1034965970 /nfs/dbraw/zinc/96/59/70/1034965970.db2.gz XVILOTNBDQRFLH-NRFANRHFSA-N 2 2 376.516 3.798 20 0 GHADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@H]2COC3(CCCCC3)O2)CC1 ZINC001208645228 1034965973 /nfs/dbraw/zinc/96/59/73/1034965973.db2.gz XVILOTNBDQRFLH-NRFANRHFSA-N 2 2 376.516 3.798 20 0 GHADLP CC(C)(C)OC(=O)N1CC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC12CC2 ZINC001208939957 1035107639 /nfs/dbraw/zinc/10/76/39/1035107639.db2.gz MHSKTQICQMBVED-OAQYLSRUSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)(C)OC(=O)N1CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC12CC2 ZINC001208939957 1035107644 /nfs/dbraw/zinc/10/76/44/1035107644.db2.gz MHSKTQICQMBVED-OAQYLSRUSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC12CC2 ZINC001208939957 1035107648 /nfs/dbraw/zinc/10/76/48/1035107648.db2.gz MHSKTQICQMBVED-OAQYLSRUSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC12CC2 ZINC001208939957 1035107656 /nfs/dbraw/zinc/10/76/56/1035107656.db2.gz MHSKTQICQMBVED-OAQYLSRUSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)(C)OC(=O)N1CC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC12CC2 ZINC001208939956 1035108255 /nfs/dbraw/zinc/10/82/55/1035108255.db2.gz MHSKTQICQMBVED-NRFANRHFSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)(C)OC(=O)N1CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC12CC2 ZINC001208939956 1035108258 /nfs/dbraw/zinc/10/82/58/1035108258.db2.gz MHSKTQICQMBVED-NRFANRHFSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC12CC2 ZINC001208939956 1035108263 /nfs/dbraw/zinc/10/82/63/1035108263.db2.gz MHSKTQICQMBVED-NRFANRHFSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC12CC2 ZINC001208939956 1035108268 /nfs/dbraw/zinc/10/82/68/1035108268.db2.gz MHSKTQICQMBVED-NRFANRHFSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208944966 1035115315 /nfs/dbraw/zinc/11/53/15/1035115315.db2.gz QAFLCLIZIZASTM-FSSWDIPSSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208944966 1035115319 /nfs/dbraw/zinc/11/53/19/1035115319.db2.gz QAFLCLIZIZASTM-FSSWDIPSSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[NH+]2C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208944966 1035115331 /nfs/dbraw/zinc/11/53/31/1035115331.db2.gz QAFLCLIZIZASTM-FSSWDIPSSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[NH+]2C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208944966 1035115338 /nfs/dbraw/zinc/11/53/38/1035115338.db2.gz QAFLCLIZIZASTM-FSSWDIPSSA-N 2 2 399.579 3.982 20 0 GHADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2c(Br)[nH]c3ccccc32)CC1 ZINC001232144257 1035121751 /nfs/dbraw/zinc/12/17/51/1035121751.db2.gz LFYPGWKVEVJQJU-UHFFFAOYSA-N 2 2 385.309 3.956 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c1 ZINC001232146149 1035124339 /nfs/dbraw/zinc/12/43/39/1035124339.db2.gz JKAOONFFKJHAPU-UHFFFAOYSA-N 2 2 379.520 3.719 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c1 ZINC001232146149 1035124343 /nfs/dbraw/zinc/12/43/43/1035124343.db2.gz JKAOONFFKJHAPU-UHFFFAOYSA-N 2 2 379.520 3.719 20 0 GHADLP Fc1cccc(F)c1CN1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208957575 1035129725 /nfs/dbraw/zinc/12/97/25/1035129725.db2.gz LYNOXYNYKXHRJY-HXUWFJFHSA-N 2 2 385.502 3.605 20 0 GHADLP Fc1cccc(F)c1CN1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208957575 1035129730 /nfs/dbraw/zinc/12/97/30/1035129730.db2.gz LYNOXYNYKXHRJY-HXUWFJFHSA-N 2 2 385.502 3.605 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@@H+]2C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208961345 1035132929 /nfs/dbraw/zinc/13/29/29/1035132929.db2.gz ZMKIMRYKQXITAZ-ACRUOGEOSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@H+]2C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208961345 1035132933 /nfs/dbraw/zinc/13/29/33/1035132933.db2.gz ZMKIMRYKQXITAZ-ACRUOGEOSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[NH+]2C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208961345 1035132938 /nfs/dbraw/zinc/13/29/38/1035132938.db2.gz ZMKIMRYKQXITAZ-ACRUOGEOSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[NH+]2C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208961345 1035132943 /nfs/dbraw/zinc/13/29/43/1035132943.db2.gz ZMKIMRYKQXITAZ-ACRUOGEOSA-N 2 2 385.552 3.592 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1nc(Cl)ccc1F)CC2 ZINC001232156681 1035133850 /nfs/dbraw/zinc/13/38/50/1035133850.db2.gz HIFHFODEFQPYIV-HNNXBMFYSA-N 2 2 393.890 3.723 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1nc(Cl)ccc1F)CC2 ZINC001232156681 1035133854 /nfs/dbraw/zinc/13/38/54/1035133854.db2.gz HIFHFODEFQPYIV-HNNXBMFYSA-N 2 2 393.890 3.723 20 0 GHADLP Cc1ccc([C@@H](C(=O)N(C)Cc2ccc(C)c(C)c2)[NH+]2CCC([NH3+])CC2)cc1 ZINC001161096241 1035140137 /nfs/dbraw/zinc/14/01/37/1035140137.db2.gz AEOLIZWTRKBQRP-QHCPKHFHSA-N 2 2 379.548 3.735 20 0 GHADLP COc1ccc(F)cc1C[NH+]1CCC(Nc2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC001161153353 1035162099 /nfs/dbraw/zinc/16/20/99/1035162099.db2.gz PLLXQQPZPFTCRY-UHFFFAOYSA-N 2 2 399.514 3.691 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccnc4c(F)cccc34)CC2)C1 ZINC001232210813 1035164197 /nfs/dbraw/zinc/16/41/97/1035164197.db2.gz VNLDTKAEPFEJAP-SFHVURJKSA-N 2 2 399.510 3.613 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccnc4c(F)cccc34)CC2)C1 ZINC001232210813 1035164202 /nfs/dbraw/zinc/16/42/02/1035164202.db2.gz VNLDTKAEPFEJAP-SFHVURJKSA-N 2 2 399.510 3.613 20 0 GHADLP CCOC(=O)CCCCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001209348822 1035248265 /nfs/dbraw/zinc/24/82/65/1035248265.db2.gz ORERCAMQGWUPLA-MSOLQXFVSA-N 2 2 379.570 3.553 20 0 GHADLP CCOC(=O)CCCCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001209348822 1035248269 /nfs/dbraw/zinc/24/82/69/1035248269.db2.gz ORERCAMQGWUPLA-MSOLQXFVSA-N 2 2 379.570 3.553 20 0 GHADLP CCOC(=O)CCCCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001209348822 1035248273 /nfs/dbraw/zinc/24/82/73/1035248273.db2.gz ORERCAMQGWUPLA-MSOLQXFVSA-N 2 2 379.570 3.553 20 0 GHADLP CCOC(=O)CCCCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001209348822 1035248278 /nfs/dbraw/zinc/24/82/78/1035248278.db2.gz ORERCAMQGWUPLA-MSOLQXFVSA-N 2 2 379.570 3.553 20 0 GHADLP Cc1ccc2[nH]cc(C[NH+]3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)c2c1 ZINC001209491912 1035291637 /nfs/dbraw/zinc/29/16/37/1035291637.db2.gz DXWJDXMULFFDRD-UHFFFAOYSA-N 2 2 376.504 3.743 20 0 GHADLP COC(=O)c1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1OC ZINC001248912660 1036239011 /nfs/dbraw/zinc/23/90/11/1036239011.db2.gz RQNWHDWYEWLWBV-XMMPIXPASA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1cccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1OC ZINC001248912660 1036239031 /nfs/dbraw/zinc/23/90/31/1036239031.db2.gz RQNWHDWYEWLWBV-XMMPIXPASA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1cccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1OC ZINC001248912660 1036239044 /nfs/dbraw/zinc/23/90/44/1036239044.db2.gz RQNWHDWYEWLWBV-XMMPIXPASA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1OC ZINC001248912660 1036239053 /nfs/dbraw/zinc/23/90/53/1036239053.db2.gz RQNWHDWYEWLWBV-XMMPIXPASA-N 2 2 394.515 3.580 20 0 GHADLP COCOc1ccc(C(F)(F)F)cc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244638001 1036578159 /nfs/dbraw/zinc/57/81/59/1036578159.db2.gz SFMDJUVJKGELTR-QGZVFWFLSA-N 2 2 380.410 3.888 20 0 GHADLP COCOc1ccc(C(F)(F)F)cc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244638001 1036578165 /nfs/dbraw/zinc/57/81/65/1036578165.db2.gz SFMDJUVJKGELTR-QGZVFWFLSA-N 2 2 380.410 3.888 20 0 GHADLP Cc1sc2nc(C[NH+](C)C)nc(C3=CC[C@H]([NH+]4CCOCC4)CC3)c2c1C ZINC001245418588 1036916025 /nfs/dbraw/zinc/91/60/25/1036916025.db2.gz KJNKCHSTZRCHQU-KRWDZBQOSA-N 2 2 386.565 3.638 20 0 GHADLP O[C@H](C[NH2+][C@H]1CCC[NH2+]C1)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245978774 1037103659 /nfs/dbraw/zinc/10/36/59/1037103659.db2.gz FNFCBZOKVLAYQT-QFBILLFUSA-N 2 2 377.315 3.940 20 0 GHADLP C[C@@]1([NH2+]C[C@@H](O)c2cc(Cl)cc3c2-c2ccc(Cl)cc2C3)CC[NH2+]C1 ZINC001245993166 1037114402 /nfs/dbraw/zinc/11/44/02/1037114402.db2.gz NASMJSDOUJOSEZ-UYAOXDASSA-N 2 2 377.315 3.940 20 0 GHADLP CCCC[C@H](CC)COC[C@@H](O)C[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001246052068 1037163600 /nfs/dbraw/zinc/16/36/00/1037163600.db2.gz LZPJKNQFSVDSQS-UGKGYDQZSA-N 2 2 394.575 3.974 20 0 GHADLP CCCC[C@H](CC)COC[C@@H](O)C[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001246052068 1037163607 /nfs/dbraw/zinc/16/36/07/1037163607.db2.gz LZPJKNQFSVDSQS-UGKGYDQZSA-N 2 2 394.575 3.974 20 0 GHADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246243084 1037249563 /nfs/dbraw/zinc/24/95/63/1037249563.db2.gz PNIFJVSCQFOGSY-PXAZEXFGSA-N 2 2 390.902 3.978 20 0 GHADLP OC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1cc(Cl)cc(Cl)c1 ZINC001246276583 1037271429 /nfs/dbraw/zinc/27/14/29/1037271429.db2.gz CYNMHRZQDLLTDU-AABGKKOBSA-N 2 2 379.331 3.980 20 0 GHADLP OC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1cc(Cl)cc(Cl)c1 ZINC001246276584 1037271547 /nfs/dbraw/zinc/27/15/47/1037271547.db2.gz CYNMHRZQDLLTDU-AQNXPRMDSA-N 2 2 379.331 3.980 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@@H]([N@@H+]2CCOCC24CC[NH2+]CC4)CC3)cc1 ZINC001246643007 1037525549 /nfs/dbraw/zinc/52/55/49/1037525549.db2.gz LKIYBGRIZXMYPU-QHCPKHFHSA-N 2 2 392.543 3.577 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@@H]([N@H+]2CCOCC24CC[NH2+]CC4)CC3)cc1 ZINC001246643007 1037525567 /nfs/dbraw/zinc/52/55/67/1037525567.db2.gz LKIYBGRIZXMYPU-QHCPKHFHSA-N 2 2 392.543 3.577 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@H]([N@@H+]2CCC[C@]4(C[NH2+]CCO4)C2)CC3)cc1 ZINC001246651046 1037525620 /nfs/dbraw/zinc/52/56/20/1037525620.db2.gz VVZYWOHAPZQIIB-NOZRDPDXSA-N 2 2 392.543 3.577 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@H]([N@H+]2CCC[C@]4(C[NH2+]CCO4)C2)CC3)cc1 ZINC001246651046 1037525633 /nfs/dbraw/zinc/52/56/33/1037525633.db2.gz VVZYWOHAPZQIIB-NOZRDPDXSA-N 2 2 392.543 3.577 20 0 GHADLP c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)cc1 ZINC001246681177 1037545095 /nfs/dbraw/zinc/54/50/95/1037545095.db2.gz HTRCOKDPZGZHLB-JWQCQUIFSA-N 3 2 375.560 3.730 20 0 GHADLP c1ccc(C[NH+]2CCC([N@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)cc1 ZINC001246681177 1037545111 /nfs/dbraw/zinc/54/51/11/1037545111.db2.gz HTRCOKDPZGZHLB-JWQCQUIFSA-N 3 2 375.560 3.730 20 0 GHADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4CC[NH2+][C@@H](Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246707353 1037559569 /nfs/dbraw/zinc/55/95/69/1037559569.db2.gz GLNRCIXIGSJYBV-ROXDYWFKSA-N 3 2 389.587 3.722 20 0 GHADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H]4CC[NH2+][C@@H](Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246707353 1037559592 /nfs/dbraw/zinc/55/95/92/1037559592.db2.gz GLNRCIXIGSJYBV-ROXDYWFKSA-N 3 2 389.587 3.722 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@@H]4CC[NH2+][C@@H](Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246707353 1037559611 /nfs/dbraw/zinc/55/96/11/1037559611.db2.gz GLNRCIXIGSJYBV-ROXDYWFKSA-N 3 2 389.587 3.722 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H]4CC[NH2+][C@@H](Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246707353 1037559631 /nfs/dbraw/zinc/55/96/31/1037559631.db2.gz GLNRCIXIGSJYBV-ROXDYWFKSA-N 3 2 389.587 3.722 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+]([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)C[C@H]3C2)cc1 ZINC001246710867 1037564118 /nfs/dbraw/zinc/56/41/18/1037564118.db2.gz URPJZCGGWJMGFG-ZGFBMJKBSA-N 3 2 375.560 3.852 20 0 GHADLP CC[C@H]1CC([NH+]2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246749420 1037589034 /nfs/dbraw/zinc/58/90/34/1037589034.db2.gz WLJLMHOVQKLGTJ-GOTSBHOMSA-N 3 2 399.623 3.971 20 0 GHADLP CC[C@H]1CC([NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246749420 1037589045 /nfs/dbraw/zinc/58/90/45/1037589045.db2.gz WLJLMHOVQKLGTJ-GOTSBHOMSA-N 3 2 399.623 3.971 20 0 GHADLP CCCC[C@@H]1C[C@@H]([NH+]2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246783579 1037623673 /nfs/dbraw/zinc/62/36/73/1037623673.db2.gz PHBCNAGHANVDDP-UXHICEINSA-N 2 2 394.401 3.878 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@H+]([C@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)CC2 ZINC001246811976 1037645724 /nfs/dbraw/zinc/64/57/24/1037645724.db2.gz FQCVEGKZPQISDB-UNMCSNQZSA-N 2 2 382.479 3.772 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)CC2 ZINC001246811976 1037645727 /nfs/dbraw/zinc/64/57/27/1037645727.db2.gz FQCVEGKZPQISDB-UNMCSNQZSA-N 2 2 382.479 3.772 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH+]2CCN(c3cc(Cl)ccn3)CC2)CC[NH2+]1 ZINC001246813602 1037647947 /nfs/dbraw/zinc/64/79/47/1037647947.db2.gz KJRDTBYSSVJLOA-QUCCMNQESA-N 2 2 388.918 3.798 20 0 GHADLP COc1ccc(Cl)cc1N1CC[NH+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246833753 1037662659 /nfs/dbraw/zinc/66/26/59/1037662659.db2.gz ICJVUOZHJOQXFU-SFTDATJTSA-N 2 2 399.966 3.834 20 0 GHADLP O=C1C[C@H]([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC001246933043 1037734546 /nfs/dbraw/zinc/73/45/46/1037734546.db2.gz GBDOCSSUMVIQQW-DHIUTWEWSA-N 2 2 395.522 3.571 20 0 GHADLP O=C1C[C@H]([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC001246933043 1037734557 /nfs/dbraw/zinc/73/45/57/1037734557.db2.gz GBDOCSSUMVIQQW-DHIUTWEWSA-N 2 2 395.522 3.571 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1)C2 ZINC001246943934 1037747970 /nfs/dbraw/zinc/74/79/70/1037747970.db2.gz UPTQRMGMIAKELR-PLACYPQZSA-N 2 2 389.515 3.532 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1)C2 ZINC001246943934 1037747986 /nfs/dbraw/zinc/74/79/86/1037747986.db2.gz UPTQRMGMIAKELR-PLACYPQZSA-N 2 2 389.515 3.532 20 0 GHADLP FC(F)(F)[C@@H]1C[N@H+](Cc2ccccc2)CCN1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246993124 1037816601 /nfs/dbraw/zinc/81/66/01/1037816601.db2.gz KPLXLXHIKXLBKN-UFYCRDLUSA-N 2 2 381.486 3.657 20 0 GHADLP FC(F)(F)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246993124 1037816628 /nfs/dbraw/zinc/81/66/28/1037816628.db2.gz KPLXLXHIKXLBKN-UFYCRDLUSA-N 2 2 381.486 3.657 20 0 GHADLP CC(C)(C)Oc1ccc(-c2noc([C@@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)cc1 ZINC001247128712 1037937231 /nfs/dbraw/zinc/93/72/31/1037937231.db2.gz XJNNFLXKNWVRFX-KRWDZBQOSA-N 2 2 393.491 3.529 20 0 GHADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cn2cc(Br)ccc2n1 ZINC001232419663 1038203416 /nfs/dbraw/zinc/20/34/16/1038203416.db2.gz YBMHZMVBXRKUJN-ROUUACIJSA-N 2 2 391.357 3.936 20 0 GHADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cn2cc(Br)ccc2n1 ZINC001232419663 1038203435 /nfs/dbraw/zinc/20/34/35/1038203435.db2.gz YBMHZMVBXRKUJN-ROUUACIJSA-N 2 2 391.357 3.936 20 0 GHADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cn2cc(Br)ccc2n1 ZINC001232419663 1038203449 /nfs/dbraw/zinc/20/34/49/1038203449.db2.gz YBMHZMVBXRKUJN-ROUUACIJSA-N 2 2 391.357 3.936 20 0 GHADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cn2cc(Br)ccc2n1 ZINC001232419663 1038203460 /nfs/dbraw/zinc/20/34/60/1038203460.db2.gz YBMHZMVBXRKUJN-ROUUACIJSA-N 2 2 391.357 3.936 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3cccc(Br)c3Cl)no2)cc1 ZINC001247699112 1038337833 /nfs/dbraw/zinc/33/78/33/1038337833.db2.gz IPRZWJZPPVIFME-CYBMUJFWSA-N 2 2 393.672 3.778 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3ccc(C(=O)c4ccccc4)cc3)no2)cc1 ZINC001247697063 1038337973 /nfs/dbraw/zinc/33/79/73/1038337973.db2.gz BCOFEHAQXLDEJT-FQEVSTJZSA-N 2 2 384.439 3.593 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3cc(Cl)ccc3Br)no2)cc1 ZINC001247701909 1038340546 /nfs/dbraw/zinc/34/05/46/1038340546.db2.gz STNZZBSJGQKPRV-AWEZNQCLSA-N 2 2 393.672 3.778 20 0 GHADLP CCc1cc(Br)ccc1-c1noc([C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001247867896 1038437811 /nfs/dbraw/zinc/43/78/11/1038437811.db2.gz KMCYTGUGVPVNNL-HNNXBMFYSA-N 2 2 391.313 3.608 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc4ncsc43)CC2)C1 ZINC001232730192 1038522011 /nfs/dbraw/zinc/52/20/11/1038522011.db2.gz JYCKQWYFRZASFZ-KRWDZBQOSA-N 2 2 387.549 3.536 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc4ncsc43)CC2)C1 ZINC001232730192 1038522015 /nfs/dbraw/zinc/52/20/15/1038522015.db2.gz JYCKQWYFRZASFZ-KRWDZBQOSA-N 2 2 387.549 3.536 20 0 GHADLP CC[N@H+](Cc1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2)C1CC[NH+](C)CC1 ZINC001232768817 1038543599 /nfs/dbraw/zinc/54/35/99/1038543599.db2.gz WWBNBEBLEROYNN-UHFFFAOYSA-N 2 2 393.597 3.957 20 0 GHADLP CC[N@@H+](Cc1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2)C1CC[NH+](C)CC1 ZINC001232768817 1038543603 /nfs/dbraw/zinc/54/36/03/1038543603.db2.gz WWBNBEBLEROYNN-UHFFFAOYSA-N 2 2 393.597 3.957 20 0 GHADLP Oc1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c1Cl ZINC001232787697 1038555352 /nfs/dbraw/zinc/55/53/52/1038555352.db2.gz SFMJDUKVBHNSIL-UHFFFAOYSA-N 2 2 386.923 3.913 20 0 GHADLP Oc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1Cl ZINC001232787697 1038555364 /nfs/dbraw/zinc/55/53/64/1038555364.db2.gz SFMJDUKVBHNSIL-UHFFFAOYSA-N 2 2 386.923 3.913 20 0 GHADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cnn(-c4cccc(C(F)(F)F)c4)c3)C[C@@H]2C1 ZINC001233043200 1038803378 /nfs/dbraw/zinc/80/33/78/1038803378.db2.gz MVEOJHIDPDXWGO-IRXDYDNUSA-N 2 2 378.442 3.665 20 0 GHADLP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1ccc(Cl)o1)CC2 ZINC001233314975 1039106389 /nfs/dbraw/zinc/10/63/89/1039106389.db2.gz SLPMZYVXDWRFFR-HNNXBMFYSA-N 2 2 395.956 3.893 20 0 GHADLP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1ccc(Cl)o1)CC2 ZINC001233314975 1039106396 /nfs/dbraw/zinc/10/63/96/1039106396.db2.gz SLPMZYVXDWRFFR-HNNXBMFYSA-N 2 2 395.956 3.893 20 0 GHADLP Oc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001252949310 1039293031 /nfs/dbraw/zinc/29/30/31/1039293031.db2.gz JOORSBJCRXTGIR-LOSJGSFVSA-N 2 2 388.511 3.708 20 0 GHADLP Oc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001252949310 1039293045 /nfs/dbraw/zinc/29/30/45/1039293045.db2.gz JOORSBJCRXTGIR-LOSJGSFVSA-N 2 2 388.511 3.708 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001234147680 1039887726 /nfs/dbraw/zinc/88/77/26/1039887726.db2.gz FOEZMLPSJXHABP-PKOBYXMFSA-N 2 2 387.572 3.544 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC001234147680 1039887742 /nfs/dbraw/zinc/88/77/42/1039887742.db2.gz FOEZMLPSJXHABP-PKOBYXMFSA-N 2 2 387.572 3.544 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001254492346 1040276897 /nfs/dbraw/zinc/27/68/97/1040276897.db2.gz GGMHLWMJLGEWBC-BJKOFHAPSA-N 2 2 388.596 3.849 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001254492346 1040276917 /nfs/dbraw/zinc/27/69/17/1040276917.db2.gz GGMHLWMJLGEWBC-BJKOFHAPSA-N 2 2 388.596 3.849 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[NH+]1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001254492346 1040276935 /nfs/dbraw/zinc/27/69/35/1040276935.db2.gz GGMHLWMJLGEWBC-BJKOFHAPSA-N 2 2 388.596 3.849 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[NH+]1CCC[C@@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001254492346 1040276955 /nfs/dbraw/zinc/27/69/55/1040276955.db2.gz GGMHLWMJLGEWBC-BJKOFHAPSA-N 2 2 388.596 3.849 20 0 GHADLP CCC[C@H](CCc1ccccc1)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001254493798 1040278724 /nfs/dbraw/zinc/27/87/24/1040278724.db2.gz GRLRDHYUVOXKPW-WXFUMESZSA-N 2 2 380.580 3.975 20 0 GHADLP CCC[C@H](CCc1ccccc1)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001254493798 1040278726 /nfs/dbraw/zinc/27/87/26/1040278726.db2.gz GRLRDHYUVOXKPW-WXFUMESZSA-N 2 2 380.580 3.975 20 0 GHADLP CCC[C@H](CCc1ccccc1)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001254493798 1040278743 /nfs/dbraw/zinc/27/87/43/1040278743.db2.gz GRLRDHYUVOXKPW-WXFUMESZSA-N 2 2 380.580 3.975 20 0 GHADLP CCC[C@H](CCc1ccccc1)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001254493798 1040278761 /nfs/dbraw/zinc/27/87/61/1040278761.db2.gz GRLRDHYUVOXKPW-WXFUMESZSA-N 2 2 380.580 3.975 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1OC ZINC001234963757 1040466500 /nfs/dbraw/zinc/46/65/00/1040466500.db2.gz GPVLRHKTYQVKGZ-DEOSSOPVSA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1OC ZINC001234963757 1040466507 /nfs/dbraw/zinc/46/65/07/1040466507.db2.gz GPVLRHKTYQVKGZ-DEOSSOPVSA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1OC ZINC001234963757 1040466518 /nfs/dbraw/zinc/46/65/18/1040466518.db2.gz GPVLRHKTYQVKGZ-DEOSSOPVSA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1OC ZINC001234963757 1040466530 /nfs/dbraw/zinc/46/65/30/1040466530.db2.gz GPVLRHKTYQVKGZ-DEOSSOPVSA-N 2 2 394.515 3.580 20 0 GHADLP c1ccc(COc2cc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc3c2OCO3)cc1 ZINC001235000661 1040494056 /nfs/dbraw/zinc/49/40/56/1040494056.db2.gz WPBBJUINERDCHN-QHCPKHFHSA-N 2 2 380.488 3.570 20 0 GHADLP c1ccc(COc2cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc3c2OCO3)cc1 ZINC001235000661 1040494064 /nfs/dbraw/zinc/49/40/64/1040494064.db2.gz WPBBJUINERDCHN-QHCPKHFHSA-N 2 2 380.488 3.570 20 0 GHADLP CCOCC[NH+](CCOCC)Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235034835 1040529110 /nfs/dbraw/zinc/52/91/10/1040529110.db2.gz UNIXJRGFWVEHRA-UHFFFAOYSA-N 2 2 396.329 3.510 20 0 GHADLP c1[nH]c2cccc(OCc3ccccc3)c2c1C[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235113212 1040598662 /nfs/dbraw/zinc/59/86/62/1040598662.db2.gz AIBZKQVPZOQBQF-DEOSSOPVSA-N 2 2 391.515 3.701 20 0 GHADLP c1[nH]c2cccc(OCc3ccccc3)c2c1C[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235113212 1040598677 /nfs/dbraw/zinc/59/86/77/1040598677.db2.gz AIBZKQVPZOQBQF-DEOSSOPVSA-N 2 2 391.515 3.701 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC2(CC[NH+]([C@@H]3CC4CC[NH+](CC4)C3)CC2)C1 ZINC001254855180 1040599020 /nfs/dbraw/zinc/59/90/20/1040599020.db2.gz LHFUUVVUDRFLQB-LJQANCHMSA-N 2 2 377.573 3.584 20 0 GHADLP Brc1ccc2cc(C[N@@H+]3CCC[C@]4(C[NH2+]CCO4)C3)ccc2c1 ZINC001235121953 1040613486 /nfs/dbraw/zinc/61/34/86/1040613486.db2.gz WSKUNLGJWFDOLQ-IBGZPJMESA-N 2 2 375.310 3.557 20 0 GHADLP Brc1ccc2cc(C[N@H+]3CCC[C@]4(C[NH2+]CCO4)C3)ccc2c1 ZINC001235121953 1040613495 /nfs/dbraw/zinc/61/34/95/1040613495.db2.gz WSKUNLGJWFDOLQ-IBGZPJMESA-N 2 2 375.310 3.557 20 0 GHADLP CCOC(=O)C1CCN(c2ccccc2C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)CC1 ZINC001235179535 1040670056 /nfs/dbraw/zinc/67/00/56/1040670056.db2.gz QXYSQFHBQQSTAR-XMMPIXPASA-N 2 2 399.579 3.574 20 0 GHADLP CCOC(=O)C1CCN(c2ccccc2C[N@H+]2CCCC[C@]23CCC[NH2+]C3)CC1 ZINC001235179535 1040670063 /nfs/dbraw/zinc/67/00/63/1040670063.db2.gz QXYSQFHBQQSTAR-XMMPIXPASA-N 2 2 399.579 3.574 20 0 GHADLP CC(C)(C)c1cc(C[N@@H+]2CCCO[C@@]3(C[NH2+]CCOC3)C2)cc(C(C)(C)C)c1 ZINC001235199229 1040687577 /nfs/dbraw/zinc/68/75/77/1040687577.db2.gz HISUZJPYSWWYTF-DEOSSOPVSA-N 2 2 388.596 3.863 20 0 GHADLP CC(C)(C)c1cc(C[N@H+]2CCCO[C@@]3(C[NH2+]CCOC3)C2)cc(C(C)(C)C)c1 ZINC001235199229 1040687581 /nfs/dbraw/zinc/68/75/81/1040687581.db2.gz HISUZJPYSWWYTF-DEOSSOPVSA-N 2 2 388.596 3.863 20 0 GHADLP Clc1ccc(Cn2cc(C[N@@H+]3C[C@H]4CCC[NH2+][C@H]4C3)c3ccccc32)cn1 ZINC001235209729 1040691603 /nfs/dbraw/zinc/69/16/03/1040691603.db2.gz ORHDWJSVVRXVNH-XLIONFOSSA-N 2 2 380.923 3.922 20 0 GHADLP Clc1ccc(Cn2cc(C[N@H+]3C[C@H]4CCC[NH2+][C@H]4C3)c3ccccc32)cn1 ZINC001235209729 1040691607 /nfs/dbraw/zinc/69/16/07/1040691607.db2.gz ORHDWJSVVRXVNH-XLIONFOSSA-N 2 2 380.923 3.922 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC001254987927 1040709759 /nfs/dbraw/zinc/70/97/59/1040709759.db2.gz XYEQLJNDLIIKGR-ZSYWTGECSA-N 2 2 387.524 3.631 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC001254987927 1040709774 /nfs/dbraw/zinc/70/97/74/1040709774.db2.gz XYEQLJNDLIIKGR-ZSYWTGECSA-N 2 2 387.524 3.631 20 0 GHADLP [NH3+][C@@H](Cc1c[nH+]cn1C1Cc2ccccc2C1)C(=O)Nc1ccc2ccccc2c1 ZINC001255019116 1040733181 /nfs/dbraw/zinc/73/31/81/1040733181.db2.gz TVFUDKANKZDROG-DEOSSOPVSA-N 2 2 396.494 3.885 20 0 GHADLP Cc1cc(F)cc(C[NH+]2CCC(N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001255108693 1040789548 /nfs/dbraw/zinc/78/95/48/1040789548.db2.gz WDDIMUKTKMSSDH-DEOSSOPVSA-N 2 2 381.539 3.963 20 0 GHADLP Cc1cc(F)cc(C[NH+]2CCC(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001255108693 1040789557 /nfs/dbraw/zinc/78/95/57/1040789557.db2.gz WDDIMUKTKMSSDH-DEOSSOPVSA-N 2 2 381.539 3.963 20 0 GHADLP COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1OC ZINC001235349706 1040825605 /nfs/dbraw/zinc/82/56/05/1040825605.db2.gz BUFXKOGOFGTQGG-DENIHFKCSA-N 2 2 386.923 3.936 20 0 GHADLP COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1OC ZINC001235349706 1040825623 /nfs/dbraw/zinc/82/56/23/1040825623.db2.gz BUFXKOGOFGTQGG-DENIHFKCSA-N 2 2 386.923 3.936 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)C2)cc1 ZINC001235365363 1040854864 /nfs/dbraw/zinc/85/48/64/1040854864.db2.gz NYCBWAFWIRKCSK-AYRHNUGRSA-N 3 2 389.587 3.762 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)C2)cc1 ZINC001235365363 1040854877 /nfs/dbraw/zinc/85/48/77/1040854877.db2.gz NYCBWAFWIRKCSK-AYRHNUGRSA-N 3 2 389.587 3.762 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)C2)cc1 ZINC001235365363 1040854896 /nfs/dbraw/zinc/85/48/96/1040854896.db2.gz NYCBWAFWIRKCSK-AYRHNUGRSA-N 3 2 389.587 3.762 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)C2)cc1 ZINC001235365363 1040854928 /nfs/dbraw/zinc/85/49/28/1040854928.db2.gz NYCBWAFWIRKCSK-AYRHNUGRSA-N 3 2 389.587 3.762 20 0 GHADLP COc1ccc2c(C[N@@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)c[nH]c2c1 ZINC001235365779 1040856778 /nfs/dbraw/zinc/85/67/78/1040856778.db2.gz PJCYBOGBHQCNIQ-GBXCKJPGSA-N 2 2 375.516 3.930 20 0 GHADLP COc1ccc2c(C[N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)c[nH]c2c1 ZINC001235365779 1040856798 /nfs/dbraw/zinc/85/67/98/1040856798.db2.gz PJCYBOGBHQCNIQ-GBXCKJPGSA-N 2 2 375.516 3.930 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235365259 1040856992 /nfs/dbraw/zinc/85/69/92/1040856992.db2.gz NKYKZIKBXOIHLN-ILBGXUMGSA-N 3 2 386.543 3.934 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235365259 1040857039 /nfs/dbraw/zinc/85/70/39/1040857039.db2.gz NKYKZIKBXOIHLN-ILBGXUMGSA-N 3 2 386.543 3.934 20 0 GHADLP COc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235410107 1040919499 /nfs/dbraw/zinc/91/94/99/1040919499.db2.gz XSEKHIIBWSNKSA-GOTSBHOMSA-N 2 2 384.495 3.798 20 0 GHADLP COc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235410107 1040919513 /nfs/dbraw/zinc/91/95/13/1040919513.db2.gz XSEKHIIBWSNKSA-GOTSBHOMSA-N 2 2 384.495 3.798 20 0 GHADLP Clc1cnc(C[NH+]2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)c(Cl)c1 ZINC001278858833 1040948145 /nfs/dbraw/zinc/94/81/45/1040948145.db2.gz FOIUXAGBKQCTGL-UHFFFAOYSA-N 2 2 394.350 3.573 20 0 GHADLP Clc1cnc(C[NH+]2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)c(Cl)c1 ZINC001278858833 1040948148 /nfs/dbraw/zinc/94/81/48/1040948148.db2.gz FOIUXAGBKQCTGL-UHFFFAOYSA-N 2 2 394.350 3.573 20 0 GHADLP CCOC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)C1 ZINC001255352090 1040957016 /nfs/dbraw/zinc/95/70/16/1040957016.db2.gz ZKTUJIURWIQOGA-UWJYYQICSA-N 2 2 376.516 3.810 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2c[nH]c4cnc(Cl)cc24)CC3)cn1 ZINC001235506859 1040967042 /nfs/dbraw/zinc/96/70/42/1040967042.db2.gz RMQWTIAGRMITQW-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2c[nH]c4cnc(Cl)cc24)CC3)cn1 ZINC001235506859 1040967043 /nfs/dbraw/zinc/96/70/43/1040967043.db2.gz RMQWTIAGRMITQW-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP O=C1N(CC2CC2)CC[C@@]12CCC[N@@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255405438 1040992909 /nfs/dbraw/zinc/99/29/09/1040992909.db2.gz ZRFCWHFWNBZJQN-ILBGXUMGSA-N 2 2 395.591 3.766 20 0 GHADLP O=C1N(CC2CC2)CC[C@@]12CCC[N@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255405438 1040992912 /nfs/dbraw/zinc/99/29/12/1040992912.db2.gz ZRFCWHFWNBZJQN-ILBGXUMGSA-N 2 2 395.591 3.766 20 0 GHADLP O=C1N(CC2CC2)CC[C@@]12CCC[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255405438 1040992913 /nfs/dbraw/zinc/99/29/13/1040992913.db2.gz ZRFCWHFWNBZJQN-ILBGXUMGSA-N 2 2 395.591 3.766 20 0 GHADLP O=C1N(CC2CC2)CC[C@@]12CCC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255405438 1040992918 /nfs/dbraw/zinc/99/29/18/1040992918.db2.gz ZRFCWHFWNBZJQN-ILBGXUMGSA-N 2 2 395.591 3.766 20 0 GHADLP COC1CCC([N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)CC1 ZINC001255462497 1041065079 /nfs/dbraw/zinc/06/50/79/1041065079.db2.gz YOJDCKSEABPAPY-SOAGJPPSSA-N 2 2 379.495 3.572 20 0 GHADLP COC1CCC([N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)CC1 ZINC001255462497 1041065092 /nfs/dbraw/zinc/06/50/92/1041065092.db2.gz YOJDCKSEABPAPY-SOAGJPPSSA-N 2 2 379.495 3.572 20 0 GHADLP COC1CCC([NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)CC1 ZINC001255462497 1041065108 /nfs/dbraw/zinc/06/51/08/1041065108.db2.gz YOJDCKSEABPAPY-SOAGJPPSSA-N 2 2 379.495 3.572 20 0 GHADLP COC1CCC([NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CC1 ZINC001255462497 1041065123 /nfs/dbraw/zinc/06/51/23/1041065123.db2.gz YOJDCKSEABPAPY-SOAGJPPSSA-N 2 2 379.495 3.572 20 0 GHADLP CC[NH2+]C1CC[NH+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001235726412 1041211476 /nfs/dbraw/zinc/21/14/76/1041211476.db2.gz PLBIHSDXJKOXHV-UHFFFAOYSA-N 3 2 392.591 3.583 20 0 GHADLP FC(F)(F)[C@@H]1CCC[C@@H](N(c2cccc[nH+]2)[C@@H]2COC3(C2)CC[NH2+]CC3)C1 ZINC001255717469 1041246647 /nfs/dbraw/zinc/24/66/47/1041246647.db2.gz SLIMZOKTUXMVNL-ZACQAIPSSA-N 2 2 383.458 3.920 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001255958715 1041436533 /nfs/dbraw/zinc/43/65/33/1041436533.db2.gz FDAOAZYCLWWSNK-WOJBJXKFSA-N 3 2 393.641 3.924 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001255958715 1041436534 /nfs/dbraw/zinc/43/65/34/1041436534.db2.gz FDAOAZYCLWWSNK-WOJBJXKFSA-N 3 2 393.641 3.924 20 0 GHADLP COc1ccc(Cn2cc(C[N@H+](Cc3ccccc3)C3CC[NH2+]CC3)cn2)cc1 ZINC001236304649 1041666158 /nfs/dbraw/zinc/66/61/58/1041666158.db2.gz MZWKVXDKBGIYIO-UHFFFAOYSA-N 2 2 390.531 3.694 20 0 GHADLP COc1ccc(Cn2cc(C[N@@H+](Cc3ccccc3)C3CC[NH2+]CC3)cn2)cc1 ZINC001236304649 1041666163 /nfs/dbraw/zinc/66/61/63/1041666163.db2.gz MZWKVXDKBGIYIO-UHFFFAOYSA-N 2 2 390.531 3.694 20 0 GHADLP COc1cc(CN(Cc2ccccc2F)[C@H]2CCC[NH2+]C2)ccc1-n1cc[nH+]c1 ZINC001236353854 1041679866 /nfs/dbraw/zinc/67/98/66/1041679866.db2.gz HKUOIVVAPWMTGF-FQEVSTJZSA-N 2 2 394.494 3.774 20 0 GHADLP Cn1nc(C(F)(F)F)c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1Cl ZINC001236372279 1041686546 /nfs/dbraw/zinc/68/65/46/1041686546.db2.gz CDCUNZMSMRGDGY-GFCCVEGCSA-N 2 2 378.870 3.837 20 0 GHADLP Cn1nc(C(F)(F)F)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1Cl ZINC001236372279 1041686549 /nfs/dbraw/zinc/68/65/49/1041686549.db2.gz CDCUNZMSMRGDGY-GFCCVEGCSA-N 2 2 378.870 3.837 20 0 GHADLP Cc1n[nH]c(C)c1C[N@H+](Cc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC001236377379 1041688910 /nfs/dbraw/zinc/68/89/10/1041688910.db2.gz HJJRMDCWJNWVSJ-UHFFFAOYSA-N 2 2 377.330 3.543 20 0 GHADLP Cc1n[nH]c(C)c1C[N@@H+](Cc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC001236377379 1041688914 /nfs/dbraw/zinc/68/89/14/1041688914.db2.gz HJJRMDCWJNWVSJ-UHFFFAOYSA-N 2 2 377.330 3.543 20 0 GHADLP CCOc1ncc(Br)cc1C[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236459537 1041722299 /nfs/dbraw/zinc/72/22/99/1041722299.db2.gz TWRNBNVWRZQQBS-UHFFFAOYSA-N 2 2 384.362 3.843 20 0 GHADLP CCOc1ncc(Br)cc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236459537 1041722304 /nfs/dbraw/zinc/72/23/04/1041722304.db2.gz TWRNBNVWRZQQBS-UHFFFAOYSA-N 2 2 384.362 3.843 20 0 GHADLP CC(C)[N@H+](Cc1ccc(-n2cccn2)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC001236470471 1041730480 /nfs/dbraw/zinc/73/04/80/1041730480.db2.gz IFNKLMJBSZLHDG-MRXNPFEDSA-N 2 2 377.330 3.597 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(-n2cccn2)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC001236470471 1041730484 /nfs/dbraw/zinc/73/04/84/1041730484.db2.gz IFNKLMJBSZLHDG-MRXNPFEDSA-N 2 2 377.330 3.597 20 0 GHADLP c1ccc(C[NH+]2CCC(C[N@H+](Cc3cccnc3)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001236479086 1041733756 /nfs/dbraw/zinc/73/37/56/1041733756.db2.gz OYTCVMRWVLBADC-DEOSSOPVSA-N 3 2 378.564 3.548 20 0 GHADLP c1ccc(C[NH+]2CCC(C[N@@H+](Cc3cccnc3)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001236479086 1041733761 /nfs/dbraw/zinc/73/37/61/1041733761.db2.gz OYTCVMRWVLBADC-DEOSSOPVSA-N 3 2 378.564 3.548 20 0 GHADLP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CCCCC2)CC1 ZINC001236568352 1041764951 /nfs/dbraw/zinc/76/49/51/1041764951.db2.gz WTXGWGWHTKEADM-HCGLCNNCSA-N 3 2 385.596 3.923 20 0 GHADLP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CCCCC2)CC1 ZINC001236568352 1041764957 /nfs/dbraw/zinc/76/49/57/1041764957.db2.gz WTXGWGWHTKEADM-HCGLCNNCSA-N 3 2 385.596 3.923 20 0 GHADLP c1cc2c(cccc2C[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)s1 ZINC001236679991 1041825902 /nfs/dbraw/zinc/82/59/02/1041825902.db2.gz SOFQWLRDYMJJBR-UHFFFAOYSA-N 2 2 381.549 3.537 20 0 GHADLP c1cc2c(cccc2C[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)s1 ZINC001236679991 1041825907 /nfs/dbraw/zinc/82/59/07/1041825907.db2.gz SOFQWLRDYMJJBR-UHFFFAOYSA-N 2 2 381.549 3.537 20 0 GHADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc(Br)ccc2N(C)C)CC1 ZINC001236707738 1041845287 /nfs/dbraw/zinc/84/52/87/1041845287.db2.gz MOJBIKGGSTZSJP-UHFFFAOYSA-N 2 2 389.341 3.541 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236830573 1041920868 /nfs/dbraw/zinc/92/08/68/1041920868.db2.gz NXHDQNGFXGZPNK-ITDIGPHOSA-N 2 2 396.318 3.821 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236830573 1041920870 /nfs/dbraw/zinc/92/08/70/1041920870.db2.gz NXHDQNGFXGZPNK-ITDIGPHOSA-N 2 2 396.318 3.821 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc3c(F)cc(F)cc3nc1Cl)CC2 ZINC001236870714 1041935906 /nfs/dbraw/zinc/93/59/06/1041935906.db2.gz CHPVJUFBUZHWSX-UHFFFAOYSA-N 2 2 394.853 3.796 20 0 GHADLP COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236902330 1041947195 /nfs/dbraw/zinc/94/71/95/1041947195.db2.gz HBCODTAHBSDLII-UXHICEINSA-N 2 2 375.900 3.543 20 0 GHADLP COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236902330 1041947202 /nfs/dbraw/zinc/94/72/02/1041947202.db2.gz HBCODTAHBSDLII-UXHICEINSA-N 2 2 375.900 3.543 20 0 GHADLP O=C1OC2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC2)c2cnccc21 ZINC001236910362 1041952458 /nfs/dbraw/zinc/95/24/58/1041952458.db2.gz DTONNUDVWXZKDP-UHFFFAOYSA-N 2 2 394.862 3.582 20 0 GHADLP O=C(C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1)N1CCCCC1 ZINC001236910412 1041952660 /nfs/dbraw/zinc/95/26/60/1041952660.db2.gz BSONRWOSVVOGEI-UHFFFAOYSA-N 2 2 386.927 3.750 20 0 GHADLP COc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)n1 ZINC001236918277 1041957789 /nfs/dbraw/zinc/95/77/89/1041957789.db2.gz JIDDFZSUGIXHDM-QGZVFWFLSA-N 2 2 384.867 3.583 20 0 GHADLP COc1cccc(O[C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)n1 ZINC001236918277 1041957793 /nfs/dbraw/zinc/95/77/93/1041957793.db2.gz JIDDFZSUGIXHDM-QGZVFWFLSA-N 2 2 384.867 3.583 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3sc(=O)[nH]c3Cl)C[C@@H]21 ZINC001237151204 1042066033 /nfs/dbraw/zinc/06/60/33/1042066033.db2.gz UUSQOMFYTHSHJR-VNQPRFMTSA-N 2 2 392.956 3.630 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3sc(=O)[nH]c3Cl)C[C@@H]21 ZINC001237151204 1042066041 /nfs/dbraw/zinc/06/60/41/1042066041.db2.gz UUSQOMFYTHSHJR-VNQPRFMTSA-N 2 2 392.956 3.630 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3sc(=O)[nH]c3Cl)C[C@@H]21 ZINC001237151204 1042066050 /nfs/dbraw/zinc/06/60/50/1042066050.db2.gz UUSQOMFYTHSHJR-VNQPRFMTSA-N 2 2 392.956 3.630 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3sc(=O)[nH]c3Cl)C[C@@H]21 ZINC001237151204 1042066058 /nfs/dbraw/zinc/06/60/58/1042066058.db2.gz UUSQOMFYTHSHJR-VNQPRFMTSA-N 2 2 392.956 3.630 20 0 GHADLP Cc1ccc(I)cc1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237155980 1042067924 /nfs/dbraw/zinc/06/79/24/1042067924.db2.gz LWHSJGZINJXEHT-QGZVFWFLSA-N 2 2 384.305 3.706 20 0 GHADLP Cc1ccc(I)cc1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237155980 1042067928 /nfs/dbraw/zinc/06/79/28/1042067928.db2.gz LWHSJGZINJXEHT-QGZVFWFLSA-N 2 2 384.305 3.706 20 0 GHADLP Clc1cc(Cl)c2c(c1)CC[N@@H+](Cc1cccc(N3CC[NH2+]CC3)c1)C2 ZINC001237264485 1042113312 /nfs/dbraw/zinc/11/33/12/1042113312.db2.gz IPFHDSWZPBRWNL-UHFFFAOYSA-N 2 2 376.331 3.961 20 0 GHADLP Clc1cc(Cl)c2c(c1)CC[N@H+](Cc1cccc(N3CC[NH2+]CC3)c1)C2 ZINC001237264485 1042113314 /nfs/dbraw/zinc/11/33/14/1042113314.db2.gz IPFHDSWZPBRWNL-UHFFFAOYSA-N 2 2 376.331 3.961 20 0 GHADLP COC(=O)c1cccc2c(C[NH+]3CCC4(CC3)[NH2+]Cc3ccccc34)c[nH]c21 ZINC001237363825 1042172068 /nfs/dbraw/zinc/17/20/68/1042172068.db2.gz OVHAQGMKQIDVHY-UHFFFAOYSA-N 2 2 375.472 3.549 20 0 GHADLP c1ccc(COc2cc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc3c2OCO3)cc1 ZINC001237411569 1042196871 /nfs/dbraw/zinc/19/68/71/1042196871.db2.gz GUZZYXODQLLLIX-VQTJNVASSA-N 2 2 380.488 3.568 20 0 GHADLP c1ccc(COc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc3c2OCO3)cc1 ZINC001237411569 1042196877 /nfs/dbraw/zinc/19/68/77/1042196877.db2.gz GUZZYXODQLLLIX-VQTJNVASSA-N 2 2 380.488 3.568 20 0 GHADLP C[C@H](c1ccccc1)[N@H+](C[C@@H]1C[NH2+]CCO1)[C@@H]1CC[C@H]1OCc1ccccc1 ZINC001237463555 1042218526 /nfs/dbraw/zinc/21/85/26/1042218526.db2.gz MZVSRMAFLRWXAW-OYYPCOLYSA-N 2 2 380.532 3.786 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@@H]1CC[C@H]1OCc1ccccc1 ZINC001237463555 1042218530 /nfs/dbraw/zinc/21/85/30/1042218530.db2.gz MZVSRMAFLRWXAW-OYYPCOLYSA-N 2 2 380.532 3.786 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c(Br)cc1F ZINC001237506750 1042242243 /nfs/dbraw/zinc/24/22/43/1042242243.db2.gz BXADVCBOGUBYFB-UHFFFAOYSA-N 2 2 384.293 3.527 20 0 GHADLP COc1cc(C[N@H+](C)C2CC[NH+](C)CC2)cc(OC)c1OCc1ccccc1 ZINC001238110570 1042494864 /nfs/dbraw/zinc/49/48/64/1042494864.db2.gz NGERZDGBCMVLPI-UHFFFAOYSA-N 2 2 384.520 3.809 20 0 GHADLP COc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)cc(OC)c1OCc1ccccc1 ZINC001238110570 1042494869 /nfs/dbraw/zinc/49/48/69/1042494869.db2.gz NGERZDGBCMVLPI-UHFFFAOYSA-N 2 2 384.520 3.809 20 0 GHADLP CCOc1cc(Br)cc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c1 ZINC001238253946 1042533436 /nfs/dbraw/zinc/53/34/36/1042533436.db2.gz FIRAJQYUOQTOQI-UHFFFAOYSA-N 2 2 390.325 3.873 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3c(C)cc(F)cc3Br)CC2)cc[nH+]1 ZINC001238569644 1042643865 /nfs/dbraw/zinc/64/38/65/1042643865.db2.gz VWIHUURIEYBDRM-UHFFFAOYSA-N 2 2 378.289 3.922 20 0 GHADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001238609972 1042658632 /nfs/dbraw/zinc/65/86/32/1042658632.db2.gz KJNBUJNOCHAYSB-UHFFFAOYSA-N 2 2 395.547 3.832 20 0 GHADLP CCOc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC001238692076 1042687166 /nfs/dbraw/zinc/68/71/66/1042687166.db2.gz IACIFOIKUJXHAO-UHFFFAOYSA-N 2 2 376.298 3.565 20 0 GHADLP CC(C)(C)OC(=O)N1CCCCC[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001462646113 1070440288 /nfs/dbraw/zinc/44/02/88/1070440288.db2.gz NCBWGZSARPRVTF-IBGZPJMESA-N 2 2 388.556 3.820 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2)nc1 ZINC001240448828 1042930199 /nfs/dbraw/zinc/93/01/99/1042930199.db2.gz LVOMYYKLEGRWPU-HXUWFJFHSA-N 2 2 395.547 3.834 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2)nc1 ZINC001240448828 1042930201 /nfs/dbraw/zinc/93/02/01/1042930201.db2.gz LVOMYYKLEGRWPU-HXUWFJFHSA-N 2 2 395.547 3.834 20 0 GHADLP c1cc(-c2ccc(OCC[NH+]3CCOCC3)cc2)ccc1OCC[NH+]1CCCC1 ZINC001240450988 1042931158 /nfs/dbraw/zinc/93/11/58/1042931158.db2.gz GPMYQVDOEPFPHA-UHFFFAOYSA-N 2 2 396.531 3.539 20 0 GHADLP COc1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2)cc1C[NH+]1CCCC1 ZINC001240452501 1042931421 /nfs/dbraw/zinc/93/14/21/1042931421.db2.gz ZSRWKWRPXDPMSX-UHFFFAOYSA-N 2 2 396.531 3.669 20 0 GHADLP Fc1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2)cc1C[NH+]1CCCC1 ZINC001240452410 1042931499 /nfs/dbraw/zinc/93/14/99/1042931499.db2.gz VPXIRLGXCJCHQN-UHFFFAOYSA-N 2 2 384.495 3.800 20 0 GHADLP CC(C)(C)OC(=O)N1CC(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001462666389 1070456315 /nfs/dbraw/zinc/45/63/15/1070456315.db2.gz JZZWYZMBILCFSD-KRWDZBQOSA-N 2 2 376.545 3.684 20 0 GHADLP CC(C)(C)OC(=O)N1CC(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001462666389 1070456318 /nfs/dbraw/zinc/45/63/18/1070456318.db2.gz JZZWYZMBILCFSD-KRWDZBQOSA-N 2 2 376.545 3.684 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)CCN(C)C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256536424 1043481457 /nfs/dbraw/zinc/48/14/57/1043481457.db2.gz GYCYOCROOPMPED-QUCCMNQESA-N 2 2 375.557 3.838 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)CCN(C)C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256536424 1043481460 /nfs/dbraw/zinc/48/14/60/1043481460.db2.gz GYCYOCROOPMPED-QUCCMNQESA-N 2 2 375.557 3.838 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)CCN(C)C(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001256536424 1043481469 /nfs/dbraw/zinc/48/14/69/1043481469.db2.gz GYCYOCROOPMPED-QUCCMNQESA-N 2 2 375.557 3.838 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)CCN(C)C(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001256536424 1043481479 /nfs/dbraw/zinc/48/14/79/1043481479.db2.gz GYCYOCROOPMPED-QUCCMNQESA-N 2 2 375.557 3.838 20 0 GHADLP C[C@@H]1C[C@@H](N2CC[NH+](Cc3ccc(F)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256539907 1043488141 /nfs/dbraw/zinc/48/81/41/1043488141.db2.gz YUMAVXDCHQRZNA-YKSBVNFPSA-N 2 2 381.539 3.996 20 0 GHADLP C[C@@H]1C[C@@H](N2CC[NH+](Cc3ccc(F)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256539907 1043488156 /nfs/dbraw/zinc/48/81/56/1043488156.db2.gz YUMAVXDCHQRZNA-YKSBVNFPSA-N 2 2 381.539 3.996 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256541241 1043489997 /nfs/dbraw/zinc/48/99/97/1043489997.db2.gz IMPCRDUQUXBUFO-FPOVZHCZSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256541241 1043490001 /nfs/dbraw/zinc/49/00/01/1043490001.db2.gz IMPCRDUQUXBUFO-FPOVZHCZSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC001256541241 1043490007 /nfs/dbraw/zinc/49/00/07/1043490007.db2.gz IMPCRDUQUXBUFO-FPOVZHCZSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1C[C@@H]([N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC001256541241 1043490017 /nfs/dbraw/zinc/49/00/17/1043490017.db2.gz IMPCRDUQUXBUFO-FPOVZHCZSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@H]1C[C@H]([NH+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256555431 1043524437 /nfs/dbraw/zinc/52/44/37/1043524437.db2.gz UYPGUKYREQWDEF-PQVVKJAFSA-N 2 2 375.560 3.998 20 0 GHADLP C[C@H]1C[C@H]([NH+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256555431 1043524446 /nfs/dbraw/zinc/52/44/46/1043524446.db2.gz UYPGUKYREQWDEF-PQVVKJAFSA-N 2 2 375.560 3.998 20 0 GHADLP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001256555431 1043524451 /nfs/dbraw/zinc/52/44/51/1043524451.db2.gz UYPGUKYREQWDEF-PQVVKJAFSA-N 2 2 375.560 3.998 20 0 GHADLP C[C@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001256555431 1043524457 /nfs/dbraw/zinc/52/44/57/1043524457.db2.gz UYPGUKYREQWDEF-PQVVKJAFSA-N 2 2 375.560 3.998 20 0 GHADLP Cc1cncnc1O[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556946 1043527988 /nfs/dbraw/zinc/52/79/88/1043527988.db2.gz JINORXZGJGWEHX-KSEOMHKRSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cncnc1O[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556946 1043527992 /nfs/dbraw/zinc/52/79/92/1043527992.db2.gz JINORXZGJGWEHX-KSEOMHKRSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cncnc1O[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556946 1043527999 /nfs/dbraw/zinc/52/79/99/1043527999.db2.gz JINORXZGJGWEHX-KSEOMHKRSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cncnc1O[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256556946 1043528005 /nfs/dbraw/zinc/52/80/05/1043528005.db2.gz JINORXZGJGWEHX-KSEOMHKRSA-N 2 2 380.536 3.681 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@]3(CCN(C4CC[NH+](Cc5ccncc5)CC4)C3)C2)cc1 ZINC001256592571 1043559285 /nfs/dbraw/zinc/55/92/85/1043559285.db2.gz GTVUKIZNDMIIHM-VWLOTQADSA-N 2 2 390.575 3.644 20 0 GHADLP c1ccc(C[N@H+]2CC[C@]3(CCN(C4CC[NH+](Cc5ccncc5)CC4)C3)C2)cc1 ZINC001256592571 1043559297 /nfs/dbraw/zinc/55/92/97/1043559297.db2.gz GTVUKIZNDMIIHM-VWLOTQADSA-N 2 2 390.575 3.644 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001256606516 1043571397 /nfs/dbraw/zinc/57/13/97/1043571397.db2.gz WVECJYYIATZQED-TZIWHRDSSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001256606516 1043571405 /nfs/dbraw/zinc/57/14/05/1043571405.db2.gz WVECJYYIATZQED-TZIWHRDSSA-N 2 2 385.552 3.592 20 0 GHADLP CCC[C@@H](COC)[N@H+](CCC(=O)OCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256613676 1043577282 /nfs/dbraw/zinc/57/72/82/1043577282.db2.gz SDNVDCCCUAGBAY-QFIPXVFZSA-N 2 2 390.568 3.721 20 0 GHADLP CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256613676 1043577287 /nfs/dbraw/zinc/57/72/87/1043577287.db2.gz SDNVDCCCUAGBAY-QFIPXVFZSA-N 2 2 390.568 3.721 20 0 GHADLP O=C(N[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)c1ccccc1F ZINC001256613119 1043577417 /nfs/dbraw/zinc/57/74/17/1043577417.db2.gz WRYKRZJMHUTWBG-HXUWFJFHSA-N 2 2 395.522 3.685 20 0 GHADLP O=C(N[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)c1ccccc1F ZINC001256613119 1043577423 /nfs/dbraw/zinc/57/74/23/1043577423.db2.gz WRYKRZJMHUTWBG-HXUWFJFHSA-N 2 2 395.522 3.685 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)cs1 ZINC001256790077 1043654011 /nfs/dbraw/zinc/65/40/11/1043654011.db2.gz PGDWYVWSSJVUMN-MJGOQNOKSA-N 2 2 391.606 3.948 20 0 GHADLP CC[C@H]1C[C@@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257121258 1043865765 /nfs/dbraw/zinc/86/57/65/1043865765.db2.gz MUELXDUMXCFHRP-OALUTQOASA-N 2 2 388.556 3.510 20 0 GHADLP Cc1[nH+]cn([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C2)c1CSCC[NH3+] ZINC001257173188 1043917474 /nfs/dbraw/zinc/91/74/74/1043917474.db2.gz DNIGTXOJFKRNQK-SJORKVTESA-N 2 2 396.601 3.980 20 0 GHADLP CCC(C)(C)C1CCC([N@@H+]2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)CC1 ZINC001257407620 1043990327 /nfs/dbraw/zinc/99/03/27/1043990327.db2.gz KCFNKPVGMOYURP-UHFFFAOYSA-N 2 2 397.567 3.689 20 0 GHADLP CCC(C)(C)C1CCC([N@H+]2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)CC1 ZINC001257407620 1043990331 /nfs/dbraw/zinc/99/03/31/1043990331.db2.gz KCFNKPVGMOYURP-UHFFFAOYSA-N 2 2 397.567 3.689 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257572969 1044060302 /nfs/dbraw/zinc/06/03/02/1044060302.db2.gz AMOCWHHEAOTOIU-IZZQQSIFSA-N 2 2 388.556 3.817 20 0 GHADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC001257756025 1044145593 /nfs/dbraw/zinc/14/55/93/1044145593.db2.gz RRWOUBAOALXHJL-SFHVURJKSA-N 2 2 379.589 3.876 20 0 GHADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC001257756025 1044145599 /nfs/dbraw/zinc/14/55/99/1044145599.db2.gz RRWOUBAOALXHJL-SFHVURJKSA-N 2 2 379.589 3.876 20 0 GHADLP CC(C)C[NH+]1CCC([NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)CC1 ZINC001258011065 1044336418 /nfs/dbraw/zinc/33/64/18/1044336418.db2.gz ARGDDNBPAYOPMI-NRFANRHFSA-N 2 2 378.601 3.652 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2C1CC[NH+](CCc2ccccc2)CC1 ZINC001258144727 1044431496 /nfs/dbraw/zinc/43/14/96/1044431496.db2.gz VVQXVMNPSARGKC-UHFFFAOYSA-N 2 2 399.579 3.779 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2C1CC[NH+](CCc2ccccc2)CC1 ZINC001258144727 1044431500 /nfs/dbraw/zinc/43/15/00/1044431500.db2.gz VVQXVMNPSARGKC-UHFFFAOYSA-N 2 2 399.579 3.779 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)CC2)cc1 ZINC001258149129 1044439792 /nfs/dbraw/zinc/43/97/92/1044439792.db2.gz ZDIRPBLZBAQOPD-AZGAKELHSA-N 2 2 389.587 3.900 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)CC2)cc1 ZINC001258149129 1044439805 /nfs/dbraw/zinc/43/98/05/1044439805.db2.gz ZDIRPBLZBAQOPD-AZGAKELHSA-N 2 2 389.587 3.900 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+]([C@H]4C[C@H](C)C[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001258169544 1044451549 /nfs/dbraw/zinc/45/15/49/1044451549.db2.gz ASJJWQCFRNNTMA-NIOQDSGDSA-N 2 2 377.598 3.799 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@H]4C[C@H](C)C[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001258169544 1044451563 /nfs/dbraw/zinc/45/15/63/1044451563.db2.gz ASJJWQCFRNNTMA-NIOQDSGDSA-N 2 2 377.598 3.799 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@H]4C[C@H](C)C[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001258169544 1044451565 /nfs/dbraw/zinc/45/15/65/1044451565.db2.gz ASJJWQCFRNNTMA-NIOQDSGDSA-N 2 2 377.598 3.799 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+]([C@H]4C[C@H](C)C[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001258169544 1044451569 /nfs/dbraw/zinc/45/15/69/1044451569.db2.gz ASJJWQCFRNNTMA-NIOQDSGDSA-N 2 2 377.598 3.799 20 0 GHADLP C[C@@H](Cc1ccco1)[NH2+]C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001258178740 1044455716 /nfs/dbraw/zinc/45/57/16/1044455716.db2.gz LEJBMDGPWJOUHN-REWPJTCUSA-N 2 2 378.516 3.864 20 0 GHADLP CSc1ncc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4ccc[nH]4)(C2)CCC3)c(Cl)n1 ZINC001279101172 1044568772 /nfs/dbraw/zinc/56/87/72/1044568772.db2.gz UUWURIIZAFEIKG-RBUKOAKNSA-N 2 2 391.972 3.905 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@H]2CCC(=O)N(Cc3ccccc3)CC2)[nH+]c1 ZINC001258595179 1044664391 /nfs/dbraw/zinc/66/43/91/1044664391.db2.gz ZIBPMODVEMBAID-NRFANRHFSA-N 2 2 392.547 3.530 20 0 GHADLP C[C@H](Cc1cccnc1)[NH2+]C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001258616436 1044670431 /nfs/dbraw/zinc/67/04/31/1044670431.db2.gz JTQSXRGULXNTNB-BWKNWUBXSA-N 2 2 389.543 3.666 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001298564743 1045872252 /nfs/dbraw/zinc/87/22/52/1045872252.db2.gz MJEHETIKENWGAM-TZIWHRDSSA-N 2 2 391.987 3.741 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001298564743 1045872270 /nfs/dbraw/zinc/87/22/70/1045872270.db2.gz MJEHETIKENWGAM-TZIWHRDSSA-N 2 2 391.987 3.741 20 0 GHADLP CC(C)C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001298564743 1045872286 /nfs/dbraw/zinc/87/22/86/1045872286.db2.gz MJEHETIKENWGAM-TZIWHRDSSA-N 2 2 391.987 3.741 20 0 GHADLP CC(C)C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001298564743 1045872305 /nfs/dbraw/zinc/87/23/05/1045872305.db2.gz MJEHETIKENWGAM-TZIWHRDSSA-N 2 2 391.987 3.741 20 0 GHADLP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(Cl)cncc3Cl)(C1)CCC2 ZINC001279389762 1047790373 /nfs/dbraw/zinc/79/03/73/1047790373.db2.gz GYRCINQPYJDLAV-MSOLQXFVSA-N 2 2 388.339 3.534 20 0 GHADLP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3c(F)ccc(F)c3Cl)CC2)C1 ZINC001279442300 1047808247 /nfs/dbraw/zinc/80/82/47/1047808247.db2.gz PTIVDDMEMCTVML-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3c(F)ccc(F)c3Cl)CC2)C1 ZINC001279442300 1047808254 /nfs/dbraw/zinc/80/82/54/1047808254.db2.gz PTIVDDMEMCTVML-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)n1cc[nH+]c1 ZINC001305106208 1047905563 /nfs/dbraw/zinc/90/55/63/1047905563.db2.gz FURWKHDNONVIEM-KAOXLYBCSA-N 2 2 394.563 3.887 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)n1cc[nH+]c1 ZINC001305106208 1047905565 /nfs/dbraw/zinc/90/55/65/1047905565.db2.gz FURWKHDNONVIEM-KAOXLYBCSA-N 2 2 394.563 3.887 20 0 GHADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(OC)ccc(Br)c3OC)(C1)CCC2 ZINC001279771469 1047945832 /nfs/dbraw/zinc/94/58/32/1047945832.db2.gz JXFYHYGELUNKBJ-ZWKOTPCHSA-N 2 2 383.330 3.621 20 0 GHADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC001307437785 1049274668 /nfs/dbraw/zinc/27/46/68/1049274668.db2.gz BHYMIWMJWDJFSA-DEOSSOPVSA-N 2 2 392.591 3.857 20 0 GHADLP Cc1ccc(CCC[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC001307437785 1049274679 /nfs/dbraw/zinc/27/46/79/1049274679.db2.gz BHYMIWMJWDJFSA-DEOSSOPVSA-N 2 2 392.591 3.857 20 0 GHADLP C[C@H](c1cc(F)ccc1F)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC001307555747 1049397511 /nfs/dbraw/zinc/39/75/11/1049397511.db2.gz OJBSUXFFIFTPTF-QGZVFWFLSA-N 2 2 389.490 3.788 20 0 GHADLP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cc(F)c(Cl)cc1Cl ZINC001308182697 1049904472 /nfs/dbraw/zinc/90/44/72/1049904472.db2.gz SMCYZAAHELPBCJ-LBPRGKRZSA-N 2 2 398.313 3.525 20 0 GHADLP C[C@@](O)(C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1ccsc1 ZINC001308277622 1049935165 /nfs/dbraw/zinc/93/51/65/1049935165.db2.gz KVRIWDBJCXDPID-LJQANCHMSA-N 2 2 391.924 3.674 20 0 GHADLP Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001308655190 1050050068 /nfs/dbraw/zinc/05/00/68/1050050068.db2.gz AVRQPMPLUZBNFC-KRWDZBQOSA-N 2 2 377.435 3.745 20 0 GHADLP Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001308655190 1050050072 /nfs/dbraw/zinc/05/00/72/1050050072.db2.gz AVRQPMPLUZBNFC-KRWDZBQOSA-N 2 2 377.435 3.745 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC001308672256 1050054849 /nfs/dbraw/zinc/05/48/49/1050054849.db2.gz NTCJPWPTHSJFLL-UHFFFAOYSA-N 2 2 377.492 3.561 20 0 GHADLP [NH3+][C@H](C[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1)C1CCCC1 ZINC001331392600 1051267805 /nfs/dbraw/zinc/26/78/05/1051267805.db2.gz RQMQCWVIIISITR-PZJWPPBQSA-N 2 2 399.583 3.511 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)N(CC[NH+](C)C)Cc3ccsc3)ccc21 ZINC001310794847 1051596814 /nfs/dbraw/zinc/59/68/14/1051596814.db2.gz ZHKPXHLXMBWRAF-UHFFFAOYSA-N 2 2 397.548 3.958 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1c2ccccc2[nH]c1-c1ccccc1 ZINC001311279212 1051988412 /nfs/dbraw/zinc/98/84/12/1051988412.db2.gz CTKBJEWAUZWFLK-UHFFFAOYSA-N 2 2 393.535 3.840 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1c2ccccc2[nH]c1-c1ccccc1 ZINC001311279212 1051988413 /nfs/dbraw/zinc/98/84/13/1051988413.db2.gz CTKBJEWAUZWFLK-UHFFFAOYSA-N 2 2 393.535 3.840 20 0 GHADLP C[N@H+](CCCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)C1CCCCC1 ZINC001311399753 1052098580 /nfs/dbraw/zinc/09/85/80/1052098580.db2.gz HWOBAZCUSWMTEK-XYOKQWHBSA-N 2 2 398.595 3.682 20 0 GHADLP C[N@@H+](CCCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)C1CCCCC1 ZINC001311399753 1052098593 /nfs/dbraw/zinc/09/85/93/1052098593.db2.gz HWOBAZCUSWMTEK-XYOKQWHBSA-N 2 2 398.595 3.682 20 0 GHADLP Cc1cccc(CCCn2c(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)nnc2C(C)(C)C)[nH+]1 ZINC001492527363 1052158235 /nfs/dbraw/zinc/15/82/35/1052158235.db2.gz GCFQLMYCQVZRSA-ICSRJNTNSA-N 2 2 396.583 3.585 20 0 GHADLP Cc1cccc(CCCn2c(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)nnc2C(C)(C)C)[nH+]1 ZINC001492527363 1052158242 /nfs/dbraw/zinc/15/82/42/1052158242.db2.gz GCFQLMYCQVZRSA-ICSRJNTNSA-N 2 2 396.583 3.585 20 0 GHADLP Cc1cccc(CCCn2c(N3C[C@H]4CCC[N@H+]4C[C@H]3C)nnc2C(C)(C)C)[nH+]1 ZINC001492527367 1052158864 /nfs/dbraw/zinc/15/88/64/1052158864.db2.gz GCFQLMYCQVZRSA-UYAOXDASSA-N 2 2 396.583 3.585 20 0 GHADLP Cc1cccc(CCCn2c(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)nnc2C(C)(C)C)[nH+]1 ZINC001492527367 1052158875 /nfs/dbraw/zinc/15/88/75/1052158875.db2.gz GCFQLMYCQVZRSA-UYAOXDASSA-N 2 2 396.583 3.585 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC001336812776 1052340422 /nfs/dbraw/zinc/34/04/22/1052340422.db2.gz IUGMLKPDVGNVKR-YQQQUEKLSA-N 2 2 399.560 3.995 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC001336812776 1052340447 /nfs/dbraw/zinc/34/04/47/1052340447.db2.gz IUGMLKPDVGNVKR-YQQQUEKLSA-N 2 2 399.560 3.995 20 0 GHADLP Cc1nc(SC(F)F)sc1CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001344382379 1054407011 /nfs/dbraw/zinc/40/70/11/1054407011.db2.gz WTXDFFIZMZTNQX-UHFFFAOYSA-N 2 2 395.460 3.837 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCC[NH+]2CCc3sccc3C2)c1 ZINC001318394790 1054609745 /nfs/dbraw/zinc/60/97/45/1054609745.db2.gz MMUPZUWGXGQNJK-OAQYLSRUSA-N 2 2 397.588 3.586 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCC[NH+]2CCc3sccc3C2)c1 ZINC001318394790 1054609755 /nfs/dbraw/zinc/60/97/55/1054609755.db2.gz MMUPZUWGXGQNJK-OAQYLSRUSA-N 2 2 397.588 3.586 20 0 GHADLP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC001318394790 1054609768 /nfs/dbraw/zinc/60/97/68/1054609768.db2.gz MMUPZUWGXGQNJK-OAQYLSRUSA-N 2 2 397.588 3.586 20 0 GHADLP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC001318394790 1054609775 /nfs/dbraw/zinc/60/97/75/1054609775.db2.gz MMUPZUWGXGQNJK-OAQYLSRUSA-N 2 2 397.588 3.586 20 0 GHADLP Cc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(C)n1Cc1ccco1 ZINC001318553400 1054715811 /nfs/dbraw/zinc/71/58/11/1054715811.db2.gz XDFQPPGGRZWUHD-UHFFFAOYSA-N 2 2 375.432 3.888 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001322745411 1056831783 /nfs/dbraw/zinc/83/17/83/1056831783.db2.gz OSKOQKLPRZDURX-MOPGFXCFSA-N 2 2 390.572 3.712 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001322745411 1056831786 /nfs/dbraw/zinc/83/17/86/1056831786.db2.gz OSKOQKLPRZDURX-MOPGFXCFSA-N 2 2 390.572 3.712 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COc1ccccc1C(F)(F)F ZINC001322869920 1056873286 /nfs/dbraw/zinc/87/32/86/1056873286.db2.gz UETSKFJWNAMVRL-UHFFFAOYSA-N 2 2 376.338 3.612 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC001323206867 1056938655 /nfs/dbraw/zinc/93/86/55/1056938655.db2.gz XFYCHDJNUQOFQB-UHFFFAOYSA-N 2 2 395.438 3.952 20 0 GHADLP C[NH+]1CCN(c2ccccc2C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC001323784488 1057012338 /nfs/dbraw/zinc/01/23/38/1057012338.db2.gz GHDVCEHMXOCASJ-DEOSSOPVSA-N 2 2 390.506 3.852 20 0 GHADLP COc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(Br)c1 ZINC001323964959 1057044889 /nfs/dbraw/zinc/04/48/89/1057044889.db2.gz NKMWEENXATXGCT-AWEZNQCLSA-N 2 2 378.314 3.646 20 0 GHADLP COc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(Br)c1 ZINC001323964959 1057044898 /nfs/dbraw/zinc/04/48/98/1057044898.db2.gz NKMWEENXATXGCT-AWEZNQCLSA-N 2 2 378.314 3.646 20 0 GHADLP COc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3CNc3cccc(C)[nH+]3)o2)cc1 ZINC001324296569 1057106529 /nfs/dbraw/zinc/10/65/29/1057106529.db2.gz GDQCOPZFOCPCBU-QGZVFWFLSA-N 2 2 379.464 3.525 20 0 GHADLP COc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3CNc3cccc(C)[nH+]3)o2)cc1 ZINC001324296569 1057106531 /nfs/dbraw/zinc/10/65/31/1057106531.db2.gz GDQCOPZFOCPCBU-QGZVFWFLSA-N 2 2 379.464 3.525 20 0 GHADLP C[NH+](C)[C@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000849091247 1057591016 /nfs/dbraw/zinc/59/10/16/1057591016.db2.gz OBEQXHAOLSWGGT-QGZVFWFLSA-N 2 2 398.404 3.641 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(Br)c1F ZINC001444209012 1059282128 /nfs/dbraw/zinc/28/21/28/1059282128.db2.gz WWIYMLCRUXQHTG-UHFFFAOYSA-N 2 2 375.201 3.730 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1scnc1-c1ccccc1 ZINC001444204271 1059282858 /nfs/dbraw/zinc/28/28/58/1059282858.db2.gz JDDFYIYMAADWEO-UHFFFAOYSA-N 2 2 375.457 3.880 20 0 GHADLP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)CC1 ZINC001445193419 1059477692 /nfs/dbraw/zinc/47/76/92/1059477692.db2.gz VAZWGGDPCYZTDK-OYRHEFFESA-N 2 2 386.584 3.927 20 0 GHADLP CCNc1cc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC001346578673 1061699911 /nfs/dbraw/zinc/69/99/11/1061699911.db2.gz XKIHRMAQIRQOLY-NQIIRXRSSA-N 2 2 395.551 3.708 20 0 GHADLP CCNc1cc(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC001346578673 1061699916 /nfs/dbraw/zinc/69/99/16/1061699916.db2.gz XKIHRMAQIRQOLY-NQIIRXRSSA-N 2 2 395.551 3.708 20 0 GHADLP CCNc1cc(CNC(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001346810981 1061910576 /nfs/dbraw/zinc/91/05/76/1061910576.db2.gz VIOFGGMYHXPSFR-OAQYLSRUSA-N 2 2 395.551 3.567 20 0 GHADLP CCNc1cc(CNC(=O)N(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001346810981 1061910577 /nfs/dbraw/zinc/91/05/77/1061910577.db2.gz VIOFGGMYHXPSFR-OAQYLSRUSA-N 2 2 395.551 3.567 20 0 GHADLP C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001457611846 1063277064 /nfs/dbraw/zinc/27/70/64/1063277064.db2.gz KADLVLBPTPADRH-GOSISDBHSA-N 2 2 383.540 3.752 20 0 GHADLP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001457611846 1063277083 /nfs/dbraw/zinc/27/70/83/1063277083.db2.gz KADLVLBPTPADRH-GOSISDBHSA-N 2 2 383.540 3.752 20 0 GHADLP CC(C)[C@@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC001350328944 1064057448 /nfs/dbraw/zinc/05/74/48/1064057448.db2.gz YXAYHNZUWOVVBX-WOJBJXKFSA-N 2 2 379.976 3.815 20 0 GHADLP CCc1nc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)sc1C ZINC001459673406 1064163432 /nfs/dbraw/zinc/16/34/32/1064163432.db2.gz UEROSXJHNZHDKB-MRXNPFEDSA-N 2 2 392.613 3.929 20 0 GHADLP CCc1nc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)sc1C ZINC001459673406 1064163439 /nfs/dbraw/zinc/16/34/39/1064163439.db2.gz UEROSXJHNZHDKB-MRXNPFEDSA-N 2 2 392.613 3.929 20 0 GHADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C(C)(C)c1ccccc1 ZINC001459882012 1064255932 /nfs/dbraw/zinc/25/59/32/1064255932.db2.gz XFCOIYYMXGLHNQ-NRFANRHFSA-N 2 2 399.604 3.738 20 0 GHADLP CC[NH+](CC)CC[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)c1ccccc1 ZINC001463422582 1064336680 /nfs/dbraw/zinc/33/66/80/1064336680.db2.gz HHAOTJKXMZQXGP-NRFANRHFSA-N 2 2 378.520 3.775 20 0 GHADLP c1[nH]c2ccccc2c1CCC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001200171824 1065469474 /nfs/dbraw/zinc/46/94/74/1065469474.db2.gz GFJCPKYFHDNPJL-UHFFFAOYSA-N 2 2 393.531 3.601 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC001466095496 1065981880 /nfs/dbraw/zinc/98/18/80/1065981880.db2.gz FSOCAYKTMUSAOU-VSKRKVRLSA-N 2 2 383.511 3.770 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC001466095496 1065981886 /nfs/dbraw/zinc/98/18/86/1065981886.db2.gz FSOCAYKTMUSAOU-VSKRKVRLSA-N 2 2 383.511 3.770 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC001357640518 1067210162 /nfs/dbraw/zinc/21/01/62/1067210162.db2.gz HAZWRGGTJJIFLH-CZAAIQMYSA-N 2 2 385.939 3.894 20 0 GHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC001357640518 1067210169 /nfs/dbraw/zinc/21/01/69/1067210169.db2.gz HAZWRGGTJJIFLH-CZAAIQMYSA-N 2 2 385.939 3.894 20 0 GHADLP C[C@H](NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC001467372927 1067257150 /nfs/dbraw/zinc/25/71/50/1067257150.db2.gz LKAVXXAWBYVZMX-UWJYYQICSA-N 2 2 381.524 3.885 20 0 GHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001467372610 1067257222 /nfs/dbraw/zinc/25/72/22/1067257222.db2.gz HPLQZCQRXXEQFS-GOSISDBHSA-N 2 2 383.496 3.624 20 0 GHADLP CCCC[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@@H]1CCc2ncsc2C1 ZINC001460337207 1068931598 /nfs/dbraw/zinc/93/15/98/1068931598.db2.gz KHJYOFSBLHNMGI-WOJBJXKFSA-N 2 2 387.593 3.595 20 0 GHADLP CCCC[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@@H]1CCc2ncsc2C1 ZINC001460337207 1068931600 /nfs/dbraw/zinc/93/16/00/1068931600.db2.gz KHJYOFSBLHNMGI-WOJBJXKFSA-N 2 2 387.593 3.595 20 0 GHADLP CCCC[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@@H]1CCc2ncsc2C1 ZINC001460337207 1068931601 /nfs/dbraw/zinc/93/16/01/1068931601.db2.gz KHJYOFSBLHNMGI-WOJBJXKFSA-N 2 2 387.593 3.595 20 0 GHADLP CCCC[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCc2ncsc2C1 ZINC001460337207 1068931604 /nfs/dbraw/zinc/93/16/04/1068931604.db2.gz KHJYOFSBLHNMGI-WOJBJXKFSA-N 2 2 387.593 3.595 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1c2ccccc2CC[C@@H]1C[NH+](C)C ZINC001460409468 1068955792 /nfs/dbraw/zinc/95/57/92/1068955792.db2.gz YFEAWCPBEMPJPP-MRXNPFEDSA-N 2 2 398.457 3.533 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC001460478588 1068974307 /nfs/dbraw/zinc/97/43/07/1068974307.db2.gz AIEKDGZCPXYPIK-IBGZPJMESA-N 2 2 382.508 3.894 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCCC4(CC4)CC3)CC2)cc1 ZINC001460557587 1068995579 /nfs/dbraw/zinc/99/55/79/1068995579.db2.gz MFTBTYGQXHOKSA-UHFFFAOYSA-N 2 2 383.580 3.720 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CCCC4(CC4)CC3)CC2)cc1 ZINC001460557587 1068995582 /nfs/dbraw/zinc/99/55/82/1068995582.db2.gz MFTBTYGQXHOKSA-UHFFFAOYSA-N 2 2 383.580 3.720 20 0 GHADLP C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001460854156 1069224410 /nfs/dbraw/zinc/22/44/10/1069224410.db2.gz YGPRGZJVPKDYJZ-YOSAUDMPSA-N 2 2 380.532 3.869 20 0 GHADLP C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001460854156 1069224424 /nfs/dbraw/zinc/22/44/24/1069224424.db2.gz YGPRGZJVPKDYJZ-YOSAUDMPSA-N 2 2 380.532 3.869 20 0 GHADLP Cn1c[nH+]cc1C1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC001460966678 1069302321 /nfs/dbraw/zinc/30/23/21/1069302321.db2.gz SSCLOHCELCYDAS-QHCPKHFHSA-N 2 2 380.536 3.647 20 0 GHADLP CC[N@H+](CCCNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)C1CCCCC1 ZINC001470714313 1072700482 /nfs/dbraw/zinc/70/04/82/1072700482.db2.gz QCNNBENUHQGUDR-UHFFFAOYSA-N 2 2 390.572 3.893 20 0 GHADLP CC[N@@H+](CCCNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)C1CCCCC1 ZINC001470714313 1072700490 /nfs/dbraw/zinc/70/04/90/1072700490.db2.gz QCNNBENUHQGUDR-UHFFFAOYSA-N 2 2 390.572 3.893 20 0 GHADLP CC1CC[NH+](CC[C@H]2CCCN2C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC001471156617 1072945301 /nfs/dbraw/zinc/94/53/01/1072945301.db2.gz FIKAGMUUCMSVBF-JOCHJYFZSA-N 2 2 380.536 3.658 20 0 GHADLP CC(C)CC[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001473391600 1073946758 /nfs/dbraw/zinc/94/67/58/1073946758.db2.gz QINTUKRRCBKPHU-WOJBJXKFSA-N 2 2 377.598 3.587 20 0 GHADLP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001473391598 1073947113 /nfs/dbraw/zinc/94/71/13/1073947113.db2.gz QINTUKRRCBKPHU-UXHICEINSA-N 2 2 377.598 3.587 20 0 GHADLP CC(C)c1cccc2c1CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001473442454 1073964695 /nfs/dbraw/zinc/96/46/95/1073964695.db2.gz CLZIFBSTONVYHS-QHCPKHFHSA-N 2 2 379.548 3.587 20 0 GHADLP CC(C)c1cccc2c1CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001473442454 1073964702 /nfs/dbraw/zinc/96/47/02/1073964702.db2.gz CLZIFBSTONVYHS-QHCPKHFHSA-N 2 2 379.548 3.587 20 0 GHADLP CC1([NH+]2CCCCC2)CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC001473777619 1074137583 /nfs/dbraw/zinc/13/75/83/1074137583.db2.gz DZFSLFFAQPSSKC-SFHVURJKSA-N 2 2 381.358 3.823 20 0 GHADLP COc1ccccc1CCC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001473830004 1074163704 /nfs/dbraw/zinc/16/37/04/1074163704.db2.gz KLEAUCXXRNOOIL-UHFFFAOYSA-N 2 2 382.548 3.852 20 0 GHADLP COc1ccccc1CCC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001473830004 1074163706 /nfs/dbraw/zinc/16/37/06/1074163706.db2.gz KLEAUCXXRNOOIL-UHFFFAOYSA-N 2 2 382.548 3.852 20 0 GHADLP COc1ccccc1CCC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001473830004 1074163711 /nfs/dbraw/zinc/16/37/11/1074163711.db2.gz KLEAUCXXRNOOIL-UHFFFAOYSA-N 2 2 382.548 3.852 20 0 GHADLP COc1ccccc1CCC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001473830004 1074163714 /nfs/dbraw/zinc/16/37/14/1074163714.db2.gz KLEAUCXXRNOOIL-UHFFFAOYSA-N 2 2 382.548 3.852 20 0 GHADLP C[C@@H](C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)N1CCCCC1 ZINC001473949862 1074215627 /nfs/dbraw/zinc/21/56/27/1074215627.db2.gz FOJKFXQDOIOCCK-KRWDZBQOSA-N 2 2 376.932 3.580 20 0 GHADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC001474372609 1074368717 /nfs/dbraw/zinc/36/87/17/1074368717.db2.gz KJMJVTVBXYHRBW-JOCHJYFZSA-N 2 2 397.950 3.745 20 0 GHADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC001474372609 1074368723 /nfs/dbraw/zinc/36/87/23/1074368723.db2.gz KJMJVTVBXYHRBW-JOCHJYFZSA-N 2 2 397.950 3.745 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc4sccc4c3)CC2)CC1 ZINC001475829905 1075030225 /nfs/dbraw/zinc/03/02/25/1075030225.db2.gz OEWVXVNVFDCLFK-UHFFFAOYSA-N 2 2 386.565 3.925 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc4sccc4c3)CC2)CC1 ZINC001475829905 1075030230 /nfs/dbraw/zinc/03/02/30/1075030230.db2.gz OEWVXVNVFDCLFK-UHFFFAOYSA-N 2 2 386.565 3.925 20 0 GHADLP CCC(C)(C)[NH+]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC001475874949 1075038703 /nfs/dbraw/zinc/03/87/03/1075038703.db2.gz ZTZDTFDUKHDKCO-INIZCTEOSA-N 2 2 393.601 3.713 20 0 GHADLP CCC(C)(C)[NH+]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC001475874949 1075038706 /nfs/dbraw/zinc/03/87/06/1075038706.db2.gz ZTZDTFDUKHDKCO-INIZCTEOSA-N 2 2 393.601 3.713 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825416080 608159473 /nfs/dbraw/zinc/15/94/73/608159473.db2.gz HCZFZLUAVXFCHZ-KRWDZBQOSA-N 2 2 391.523 3.561 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825416080 608159475 /nfs/dbraw/zinc/15/94/75/608159475.db2.gz HCZFZLUAVXFCHZ-KRWDZBQOSA-N 2 2 391.523 3.561 20 0 GHADLP Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc4c([nH+]2)CCC4)CC3)cc1 ZINC001164672326 719504100 /nfs/dbraw/zinc/50/41/00/719504100.db2.gz KWCKRSLOYQORIJ-UHFFFAOYSA-N 2 2 381.495 3.581 20 0 GHADLP Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc4c([nH+]2)CCC4)CC3)cc1 ZINC001164672326 719504104 /nfs/dbraw/zinc/50/41/04/719504104.db2.gz KWCKRSLOYQORIJ-UHFFFAOYSA-N 2 2 381.495 3.581 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1)c1ccccc1 ZINC000655689803 837670561 /nfs/dbraw/zinc/67/05/61/837670561.db2.gz OJVZCUWAKCUZDU-HSZRJFAPSA-N 2 2 393.531 3.672 20 0 GHADLP C[NH+](C)[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000431809799 837745160 /nfs/dbraw/zinc/74/51/60/837745160.db2.gz GJWBBCSVYGKOOC-TUNNFDKTSA-N 2 2 387.474 3.519 20 0 GHADLP C[NH+](C)[C@H](CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000431809799 837745165 /nfs/dbraw/zinc/74/51/65/837745165.db2.gz GJWBBCSVYGKOOC-TUNNFDKTSA-N 2 2 387.474 3.519 20 0 GHADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000151004876 834453900 /nfs/dbraw/zinc/45/39/00/834453900.db2.gz DXWSBTWCZLCJPF-UHFFFAOYSA-N 2 2 394.629 3.501 20 0 GHADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc(C)c(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000156790180 834558107 /nfs/dbraw/zinc/55/81/07/834558107.db2.gz IRWKSMSITSEPOE-LJQANCHMSA-N 2 2 388.943 3.515 20 0 GHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc(C)c(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000156790180 834558115 /nfs/dbraw/zinc/55/81/15/834558115.db2.gz IRWKSMSITSEPOE-LJQANCHMSA-N 2 2 388.943 3.515 20 0 GHADLP C[C@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@@H+]1CCC[C@H](C)C1 ZINC000536082428 834729661 /nfs/dbraw/zinc/72/96/61/834729661.db2.gz OPXTVJYECJVUGY-ZWKOTPCHSA-N 2 2 393.535 3.844 20 0 GHADLP C[C@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@H+]1CCC[C@H](C)C1 ZINC000536082428 834729670 /nfs/dbraw/zinc/72/96/70/834729670.db2.gz OPXTVJYECJVUGY-ZWKOTPCHSA-N 2 2 393.535 3.844 20 0 GHADLP COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(F)c1 ZINC000583635860 834781783 /nfs/dbraw/zinc/78/17/83/834781783.db2.gz XRDUZAWZNSKJKI-OAHLLOKOSA-N 2 2 375.463 3.576 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H]3CCN(c4ccccc4)C3=O)C2)s1 ZINC000685412386 834991922 /nfs/dbraw/zinc/99/19/22/834991922.db2.gz KGGLERYKYCMISW-NQIIRXRSSA-N 2 2 383.561 3.616 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H]3CCN(c4ccccc4)C3=O)C2)s1 ZINC000685412386 834991932 /nfs/dbraw/zinc/99/19/32/834991932.db2.gz KGGLERYKYCMISW-NQIIRXRSSA-N 2 2 383.561 3.616 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H]3CCN(c4ccccc4)C3=O)C2)s1 ZINC000685412386 834991935 /nfs/dbraw/zinc/99/19/35/834991935.db2.gz KGGLERYKYCMISW-NQIIRXRSSA-N 2 2 383.561 3.616 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H]3CCN(c4ccccc4)C3=O)C2)s1 ZINC000685412386 834991943 /nfs/dbraw/zinc/99/19/43/834991943.db2.gz KGGLERYKYCMISW-NQIIRXRSSA-N 2 2 383.561 3.616 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H]3CCN(c4ccccc4)C3=O)C2)s1 ZINC000685412387 834992162 /nfs/dbraw/zinc/99/21/62/834992162.db2.gz KGGLERYKYCMISW-RXVVDRJESA-N 2 2 383.561 3.616 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H]3CCN(c4ccccc4)C3=O)C2)s1 ZINC000685412387 834992169 /nfs/dbraw/zinc/99/21/69/834992169.db2.gz KGGLERYKYCMISW-RXVVDRJESA-N 2 2 383.561 3.616 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H]3CCN(c4ccccc4)C3=O)C2)s1 ZINC000685412387 834992175 /nfs/dbraw/zinc/99/21/75/834992175.db2.gz KGGLERYKYCMISW-RXVVDRJESA-N 2 2 383.561 3.616 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H]3CCN(c4ccccc4)C3=O)C2)s1 ZINC000685412387 834992181 /nfs/dbraw/zinc/99/21/81/834992181.db2.gz KGGLERYKYCMISW-RXVVDRJESA-N 2 2 383.561 3.616 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000685462186 835028546 /nfs/dbraw/zinc/02/85/46/835028546.db2.gz XQTYKUODJKQYFR-UHFFFAOYSA-N 2 2 379.295 3.601 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000685462186 835028556 /nfs/dbraw/zinc/02/85/56/835028556.db2.gz XQTYKUODJKQYFR-UHFFFAOYSA-N 2 2 379.295 3.601 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CCCn2cc(Br)cn2)C[N@H+](Cc2ccccc2)C1 ZINC000583839847 835124185 /nfs/dbraw/zinc/12/41/85/835124185.db2.gz ZYBZYFRWIIOYSQ-VQIMIIECSA-N 2 2 391.357 3.536 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CCCn2cc(Br)cn2)C[N@@H+](Cc2ccccc2)C1 ZINC000583839847 835124187 /nfs/dbraw/zinc/12/41/87/835124187.db2.gz ZYBZYFRWIIOYSQ-VQIMIIECSA-N 2 2 391.357 3.536 20 0 GHADLP CC[C@]1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)OCCc2ccccc21 ZINC000685657120 835271687 /nfs/dbraw/zinc/27/16/87/835271687.db2.gz DLRVFLDNKJLSKU-VEXUSMLFSA-N 2 2 379.548 3.760 20 0 GHADLP CC[C@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)OCCc2ccccc21 ZINC000685657120 835271700 /nfs/dbraw/zinc/27/17/00/835271700.db2.gz DLRVFLDNKJLSKU-VEXUSMLFSA-N 2 2 379.548 3.760 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)Nc3cccc(C[NH+]4CCSCC4)c3C)ccn12 ZINC000584002479 835393964 /nfs/dbraw/zinc/39/39/64/835393964.db2.gz BSYWVQXPFGUBEE-UHFFFAOYSA-N 2 2 380.517 3.752 20 0 GHADLP CCC(C)(C)c1ccc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000151421141 835422851 /nfs/dbraw/zinc/42/28/51/835422851.db2.gz BDBCVVXTTMOYHZ-UHFFFAOYSA-N 2 2 388.600 3.542 20 0 GHADLP CCC(C)(C)c1ccc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000151421141 835422856 /nfs/dbraw/zinc/42/28/56/835422856.db2.gz BDBCVVXTTMOYHZ-UHFFFAOYSA-N 2 2 388.600 3.542 20 0 GHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000584030056 835473972 /nfs/dbraw/zinc/47/39/72/835473972.db2.gz YZMYJJSNTDAPRO-UHFFFAOYSA-N 2 2 387.572 3.550 20 0 GHADLP C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CCC[C@@H](c5[nH]cc[nH+]5)C4)nc(N)c32)C1 ZINC000471185508 835528578 /nfs/dbraw/zinc/52/85/78/835528578.db2.gz JCWULZWQVVLDPY-ZIAGYGMSSA-N 2 2 396.564 3.544 20 0 GHADLP C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CCC[C@@H](c5[nH]cc[nH+]5)C4)nc(N)c32)C1 ZINC000471185508 835528581 /nfs/dbraw/zinc/52/85/81/835528581.db2.gz JCWULZWQVVLDPY-ZIAGYGMSSA-N 2 2 396.564 3.544 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cnn1-c1cccc(Cl)c1 ZINC000658292746 835558078 /nfs/dbraw/zinc/55/80/78/835558078.db2.gz AXNKKOMYNCLZAH-FOIQADDNSA-N 2 2 388.943 3.738 20 0 GHADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295643 835560607 /nfs/dbraw/zinc/56/06/07/835560607.db2.gz UBBRNZMTHVKHAQ-JXFKEZNVSA-N 2 2 385.577 3.946 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H]2CCc3cccnc3CC2)CCOCC1)c1ccccc1 ZINC000421829073 835654898 /nfs/dbraw/zinc/65/48/98/835654898.db2.gz GQUOWQSMZMUMHJ-DENIHFKCSA-N 2 2 379.548 3.819 20 0 GHADLP COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1OCCO ZINC000151685034 835727722 /nfs/dbraw/zinc/72/77/22/835727722.db2.gz KINZDZUCFARNIX-IRXDYDNUSA-N 2 2 381.476 3.664 20 0 GHADLP C[C@H]1C[C@@H](CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)C[N@@H+]1Cc1ccccc1 ZINC000510132135 835735084 /nfs/dbraw/zinc/73/50/84/835735084.db2.gz SIPKAERNWMAKJK-PZJWPPBQSA-N 2 2 388.515 3.903 20 0 GHADLP C[C@H]1C[C@@H](CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)C[N@H+]1Cc1ccccc1 ZINC000510132135 835735095 /nfs/dbraw/zinc/73/50/95/835735095.db2.gz SIPKAERNWMAKJK-PZJWPPBQSA-N 2 2 388.515 3.903 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC[S@@](=O)c2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000471226254 836019940 /nfs/dbraw/zinc/01/99/40/836019940.db2.gz JWKXPGCPTRDSCM-AXBCGAQBSA-N 2 2 377.381 3.763 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC[S@@](=O)c2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000471226254 836019951 /nfs/dbraw/zinc/01/99/51/836019951.db2.gz JWKXPGCPTRDSCM-AXBCGAQBSA-N 2 2 377.381 3.763 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC[S@@](=O)c2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000471226254 836019959 /nfs/dbraw/zinc/01/99/59/836019959.db2.gz JWKXPGCPTRDSCM-AXBCGAQBSA-N 2 2 377.381 3.763 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC[S@@](=O)c2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000471226254 836019967 /nfs/dbraw/zinc/01/99/67/836019967.db2.gz JWKXPGCPTRDSCM-AXBCGAQBSA-N 2 2 377.381 3.763 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000471229952 836050944 /nfs/dbraw/zinc/05/09/44/836050944.db2.gz INHAWPFZEMPCGR-ZTCOLXNVSA-N 2 2 393.575 3.749 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000471229952 836050961 /nfs/dbraw/zinc/05/09/61/836050961.db2.gz INHAWPFZEMPCGR-ZTCOLXNVSA-N 2 2 393.575 3.749 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000471229952 836050973 /nfs/dbraw/zinc/05/09/73/836050973.db2.gz INHAWPFZEMPCGR-ZTCOLXNVSA-N 2 2 393.575 3.749 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000471229952 836050987 /nfs/dbraw/zinc/05/09/87/836050987.db2.gz INHAWPFZEMPCGR-ZTCOLXNVSA-N 2 2 393.575 3.749 20 0 GHADLP CN(C(=O)c1cc2sccc2[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000430295567 836070057 /nfs/dbraw/zinc/07/00/57/836070057.db2.gz QYCHZRURXMLTSO-RTBURBONSA-N 2 2 388.581 3.639 20 0 GHADLP CN(C(=O)c1cc2sccc2[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000430295567 836070071 /nfs/dbraw/zinc/07/00/71/836070071.db2.gz QYCHZRURXMLTSO-RTBURBONSA-N 2 2 388.581 3.639 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](Cc2cccs2)C2CC2)CC1 ZINC000613375699 836230748 /nfs/dbraw/zinc/23/07/48/836230748.db2.gz QEOBJLABIMYNLY-UHFFFAOYSA-N 2 2 397.588 3.755 20 0 GHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](Cc2cccs2)C2CC2)CC1 ZINC000613375699 836230757 /nfs/dbraw/zinc/23/07/57/836230757.db2.gz QEOBJLABIMYNLY-UHFFFAOYSA-N 2 2 397.588 3.755 20 0 GHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](Cc2cccs2)C2CC2)CC1 ZINC000613375699 836230767 /nfs/dbraw/zinc/23/07/67/836230767.db2.gz QEOBJLABIMYNLY-UHFFFAOYSA-N 2 2 397.588 3.755 20 0 GHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](Cc2cccs2)C2CC2)CC1 ZINC000613375699 836230776 /nfs/dbraw/zinc/23/07/76/836230776.db2.gz QEOBJLABIMYNLY-UHFFFAOYSA-N 2 2 397.588 3.755 20 0 GHADLP CCC(=O)N1CCC[N@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001167122241 836417320 /nfs/dbraw/zinc/41/73/20/836417320.db2.gz DIQGPVYVFYOUGG-XMMPIXPASA-N 2 2 393.575 3.847 20 0 GHADLP CCC(=O)N1CCC[N@@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001167122241 836417325 /nfs/dbraw/zinc/41/73/25/836417325.db2.gz DIQGPVYVFYOUGG-XMMPIXPASA-N 2 2 393.575 3.847 20 0 GHADLP CCC(=O)N1CCC[NH+](C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001167122241 836417334 /nfs/dbraw/zinc/41/73/34/836417334.db2.gz DIQGPVYVFYOUGG-XMMPIXPASA-N 2 2 393.575 3.847 20 0 GHADLP CCC(=O)N1CCC[NH+](C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001167122241 836417341 /nfs/dbraw/zinc/41/73/41/836417341.db2.gz DIQGPVYVFYOUGG-XMMPIXPASA-N 2 2 393.575 3.847 20 0 GHADLP CCSc1ccccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000376066802 836730438 /nfs/dbraw/zinc/73/04/38/836730438.db2.gz KNJULFGTNLQTCV-CSNJMZFVSA-N 2 2 375.582 3.533 20 0 GHADLP CCSc1ccccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000376066802 836730447 /nfs/dbraw/zinc/73/04/47/836730447.db2.gz KNJULFGTNLQTCV-CSNJMZFVSA-N 2 2 375.582 3.533 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c2ccccc12 ZINC000376069502 836752014 /nfs/dbraw/zinc/75/20/14/836752014.db2.gz RSRSNFZZRUZIMM-MVCQKVDPSA-N 2 2 395.547 3.583 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c2ccccc12 ZINC000376069502 836752023 /nfs/dbraw/zinc/75/20/23/836752023.db2.gz RSRSNFZZRUZIMM-MVCQKVDPSA-N 2 2 395.547 3.583 20 0 GHADLP COC(=O)C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(Br)c1 ZINC000589203882 837199658 /nfs/dbraw/zinc/19/96/58/837199658.db2.gz HSYGMAMOWAXWQY-GOSISDBHSA-N 2 2 395.341 3.517 20 0 GHADLP C[NH+](C)Cc1cc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)ccc1F ZINC000120900695 837201942 /nfs/dbraw/zinc/20/19/42/837201942.db2.gz RBMZIUGYQVBZRQ-UHFFFAOYSA-N 3 2 387.518 3.823 20 0 GHADLP C[NH+](C)Cc1cc(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)ccc1F ZINC000120900695 837201959 /nfs/dbraw/zinc/20/19/59/837201959.db2.gz RBMZIUGYQVBZRQ-UHFFFAOYSA-N 2 2 387.518 3.823 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000579909479 837238290 /nfs/dbraw/zinc/23/82/90/837238290.db2.gz TYEYSJDQEFGRFH-INIZCTEOSA-N 2 2 387.911 3.592 20 0 GHADLP Brc1cccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CCOCC2)c1 ZINC000377758598 837920524 /nfs/dbraw/zinc/92/05/24/837920524.db2.gz XWLHDJVBAHZEFI-LPHOPBHVSA-N 2 2 390.325 3.787 20 0 GHADLP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000659865927 837965404 /nfs/dbraw/zinc/96/54/04/837965404.db2.gz RLCCSNFDEBCHEI-MOPGFXCFSA-N 2 2 380.527 3.597 20 0 GHADLP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000659865927 837965409 /nfs/dbraw/zinc/96/54/09/837965409.db2.gz RLCCSNFDEBCHEI-MOPGFXCFSA-N 2 2 380.527 3.597 20 0 GHADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)cs2)cc1 ZINC000377886334 838106070 /nfs/dbraw/zinc/10/60/70/838106070.db2.gz ASSHTXLBSIGWIX-NRFANRHFSA-N 2 2 384.593 3.719 20 0 GHADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)cs2)cc1 ZINC000377886334 838106073 /nfs/dbraw/zinc/10/60/73/838106073.db2.gz ASSHTXLBSIGWIX-NRFANRHFSA-N 2 2 384.593 3.719 20 0 GHADLP C[NH2+]Cc1ccccc1NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000415909378 838255355 /nfs/dbraw/zinc/25/53/55/838255355.db2.gz FWISWZWFDNJSFT-OAQYLSRUSA-N 2 2 377.492 3.782 20 0 GHADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000431866071 839052279 /nfs/dbraw/zinc/05/22/79/839052279.db2.gz DQMLVNHMURZHCI-VXKWHMMOSA-N 2 2 397.567 3.631 20 0 GHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000415065600 839152183 /nfs/dbraw/zinc/15/21/83/839152183.db2.gz NDQYOOSAHWEGKA-NRFANRHFSA-N 2 2 385.939 3.797 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ncc(-c2ccccc2)o1 ZINC000377267267 839211041 /nfs/dbraw/zinc/21/10/41/839211041.db2.gz OKSJIKFADJPFGR-UHFFFAOYSA-N 3 2 396.579 3.970 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ncc(-c2ccccc2)o1 ZINC000377267267 839211053 /nfs/dbraw/zinc/21/10/53/839211053.db2.gz OKSJIKFADJPFGR-UHFFFAOYSA-N 3 2 396.579 3.970 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000549841626 844441934 /nfs/dbraw/zinc/44/19/34/844441934.db2.gz XILIXIMBKJNGEL-GLDPYIMESA-N 2 2 383.580 3.549 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000549841626 844441939 /nfs/dbraw/zinc/44/19/39/844441939.db2.gz XILIXIMBKJNGEL-GLDPYIMESA-N 2 2 383.580 3.549 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000549841626 844441950 /nfs/dbraw/zinc/44/19/50/844441950.db2.gz XILIXIMBKJNGEL-GLDPYIMESA-N 2 2 383.580 3.549 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000549841626 844441952 /nfs/dbraw/zinc/44/19/52/844441952.db2.gz XILIXIMBKJNGEL-GLDPYIMESA-N 2 2 383.580 3.549 20 0 GHADLP C[C@H]1CCN(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c2ccccc2S1 ZINC000047970341 839902270 /nfs/dbraw/zinc/90/22/70/839902270.db2.gz SPHJGGFUFKSQKH-SFHVURJKSA-N 2 2 387.593 3.712 20 0 GHADLP CCOc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(Br)c1O ZINC000656276696 840039070 /nfs/dbraw/zinc/03/90/70/840039070.db2.gz ICWLCOFXTRZJIP-HZPDHXFCSA-N 2 2 383.330 3.660 20 0 GHADLP CCOc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc(Br)c1O ZINC000656276696 840039077 /nfs/dbraw/zinc/03/90/77/840039077.db2.gz ICWLCOFXTRZJIP-HZPDHXFCSA-N 2 2 383.330 3.660 20 0 GHADLP CCOc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc(Br)c1O ZINC000656276697 840039793 /nfs/dbraw/zinc/03/97/93/840039793.db2.gz ICWLCOFXTRZJIP-JKSUJKDBSA-N 2 2 383.330 3.660 20 0 GHADLP CCOc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc(Br)c1O ZINC000656276697 840039798 /nfs/dbraw/zinc/03/97/98/840039798.db2.gz ICWLCOFXTRZJIP-JKSUJKDBSA-N 2 2 383.330 3.660 20 0 GHADLP CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(C[NH+](CC)CC)o3)cc2)CC1 ZINC000046939342 840102459 /nfs/dbraw/zinc/10/24/59/840102459.db2.gz WLLHUVONQNOZNL-UHFFFAOYSA-N 2 2 398.551 3.511 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@H](c3ccc(F)cc3)c3cnccn3)CC2)[nH+]1 ZINC000497398273 840941348 /nfs/dbraw/zinc/94/13/48/840941348.db2.gz AJHSKPIZMCOZMK-JOCHJYFZSA-N 2 2 377.467 3.667 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n(C)n1 ZINC000417920772 841275169 /nfs/dbraw/zinc/27/51/69/841275169.db2.gz GYPKPIFODNQBTG-QFBILLFUSA-N 2 2 380.458 3.920 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n(C)n1 ZINC000417920772 841275176 /nfs/dbraw/zinc/27/51/76/841275176.db2.gz GYPKPIFODNQBTG-QFBILLFUSA-N 2 2 380.458 3.920 20 0 GHADLP COc1ccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c(OC)c1OC ZINC000599446947 861194826 /nfs/dbraw/zinc/19/48/26/861194826.db2.gz ZDXVYLQGGGWUTC-UHFFFAOYSA-N 2 2 393.487 3.583 20 0 GHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514279 841831790 /nfs/dbraw/zinc/83/17/90/841831790.db2.gz LPDWLYZYONRJQY-MBSDFSHPSA-N 2 2 395.522 3.742 20 0 GHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514279 841831801 /nfs/dbraw/zinc/83/18/01/841831801.db2.gz LPDWLYZYONRJQY-MBSDFSHPSA-N 2 2 395.522 3.742 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430634958 841953952 /nfs/dbraw/zinc/95/39/52/841953952.db2.gz FKDSEQIFDVDURB-TZIWHRDSSA-N 2 2 388.515 3.964 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430634958 841953959 /nfs/dbraw/zinc/95/39/59/841953959.db2.gz FKDSEQIFDVDURB-TZIWHRDSSA-N 2 2 388.515 3.964 20 0 GHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(Cl)cc2Br)CCCO1 ZINC000432347095 842123515 /nfs/dbraw/zinc/12/35/15/842123515.db2.gz NSCLWYJSSDCUIR-ZDUSSCGKSA-N 2 2 375.738 3.693 20 0 GHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Cl)cc2Br)CCCO1 ZINC000432347095 842123522 /nfs/dbraw/zinc/12/35/22/842123522.db2.gz NSCLWYJSSDCUIR-ZDUSSCGKSA-N 2 2 375.738 3.693 20 0 GHADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000512038638 842251411 /nfs/dbraw/zinc/25/14/11/842251411.db2.gz KGVLTEIAZHOJPX-HNNXBMFYSA-N 2 2 395.532 3.703 20 0 GHADLP FC(F)Oc1cc2c(cc1C[NH+]1CCC(CCCn3cc[nH+]c3)CC1)OCO2 ZINC000581852249 842300719 /nfs/dbraw/zinc/30/07/19/842300719.db2.gz YCOFCADKJMEKPO-UHFFFAOYSA-N 2 2 393.434 3.906 20 0 GHADLP Brc1cccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000390901148 842343751 /nfs/dbraw/zinc/34/37/51/842343751.db2.gz HUAOELPWGGHOQD-HXUWFJFHSA-N 2 2 389.337 3.830 20 0 GHADLP Brc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000390901148 842343763 /nfs/dbraw/zinc/34/37/63/842343763.db2.gz HUAOELPWGGHOQD-HXUWFJFHSA-N 2 2 389.337 3.830 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCN1C1CCCCC1 ZINC000647193266 842500964 /nfs/dbraw/zinc/50/09/64/842500964.db2.gz SGBIWEATAINELA-IFMALSPDSA-N 2 2 381.564 3.707 20 0 GHADLP O=C1[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCN1C1CCCCC1 ZINC000647193266 842500966 /nfs/dbraw/zinc/50/09/66/842500966.db2.gz SGBIWEATAINELA-IFMALSPDSA-N 2 2 381.564 3.707 20 0 GHADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548337802 842679420 /nfs/dbraw/zinc/67/94/20/842679420.db2.gz FSEFGVACPCXUFA-CVEARBPZSA-N 2 2 386.927 3.998 20 0 GHADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548337802 842679428 /nfs/dbraw/zinc/67/94/28/842679428.db2.gz FSEFGVACPCXUFA-CVEARBPZSA-N 2 2 386.927 3.998 20 0 GHADLP CC(C)c1ccc(SCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050797996 842812762 /nfs/dbraw/zinc/81/27/62/842812762.db2.gz OANQHJSISOBZBT-UHFFFAOYSA-N 2 2 389.609 3.577 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051333993 842823564 /nfs/dbraw/zinc/82/35/64/842823564.db2.gz YCEYOPXVNXYUEW-UHFFFAOYSA-N 2 2 384.524 3.548 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]CCC(=O)N(C)c2ccccc2)c(C)c1 ZINC000663359015 843307114 /nfs/dbraw/zinc/30/71/14/843307114.db2.gz BSTBZCXVSPXVOZ-QFIPXVFZSA-N 2 2 376.504 3.884 20 0 GHADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512291370 843327164 /nfs/dbraw/zinc/32/71/64/843327164.db2.gz IFEQNMIUJUDZMA-SQJMNOBHSA-N 2 2 391.559 3.804 20 0 GHADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512291370 843327173 /nfs/dbraw/zinc/32/71/73/843327173.db2.gz IFEQNMIUJUDZMA-SQJMNOBHSA-N 2 2 391.559 3.804 20 0 GHADLP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512291370 843327182 /nfs/dbraw/zinc/32/71/82/843327182.db2.gz IFEQNMIUJUDZMA-SQJMNOBHSA-N 2 2 391.559 3.804 20 0 GHADLP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512291370 843327191 /nfs/dbraw/zinc/32/71/91/843327191.db2.gz IFEQNMIUJUDZMA-SQJMNOBHSA-N 2 2 391.559 3.804 20 0 GHADLP F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000060806736 843419718 /nfs/dbraw/zinc/41/97/18/843419718.db2.gz KXJHFEVVSJNOEJ-AWEZNQCLSA-N 2 2 381.320 3.935 20 0 GHADLP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)c2cccs2)CC1 ZINC000662664429 843501980 /nfs/dbraw/zinc/50/19/80/843501980.db2.gz XJFRWKDMATWNRK-HKUYNNGSSA-N 2 2 393.503 3.616 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278889843 843556938 /nfs/dbraw/zinc/55/69/38/843556938.db2.gz OBFAJRZIIRHNAL-KRWDZBQOSA-N 2 2 396.535 3.825 20 0 GHADLP Brc1ccc(-n2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cn2)cc1 ZINC000512390063 843621265 /nfs/dbraw/zinc/62/12/65/843621265.db2.gz YBCRCDRIAFPEAU-UHFFFAOYSA-N 2 2 386.297 3.738 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)[C@@H](C)C1 ZINC000663470427 843680519 /nfs/dbraw/zinc/68/05/19/843680519.db2.gz IBYZCJPLWRKTIR-SESVDKBCSA-N 2 2 382.552 3.586 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)[C@@H](C)C1 ZINC000663470427 843680524 /nfs/dbraw/zinc/68/05/24/843680524.db2.gz IBYZCJPLWRKTIR-SESVDKBCSA-N 2 2 382.552 3.586 20 0 GHADLP Brc1ccc(C[N@H+](CCC2CCOCC2)CCn2cc[nH+]c2)o1 ZINC000433193161 843805994 /nfs/dbraw/zinc/80/59/94/843805994.db2.gz PDEFHWJYGMHSSX-UHFFFAOYSA-N 2 2 382.302 3.558 20 0 GHADLP Brc1ccc(C[N@@H+](CCC2CCOCC2)CCn2cc[nH+]c2)o1 ZINC000433193161 843806006 /nfs/dbraw/zinc/80/60/06/843806006.db2.gz PDEFHWJYGMHSSX-UHFFFAOYSA-N 2 2 382.302 3.558 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432791080 843833159 /nfs/dbraw/zinc/83/31/59/843833159.db2.gz DVIULWBAJDCKOO-GOSISDBHSA-N 2 2 391.357 3.859 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432791080 843833164 /nfs/dbraw/zinc/83/31/64/843833164.db2.gz DVIULWBAJDCKOO-GOSISDBHSA-N 2 2 391.357 3.859 20 0 GHADLP FC(F)(F)Oc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000474924802 861490158 /nfs/dbraw/zinc/49/01/58/861490158.db2.gz JCKOEYUTNAKFIX-LLVKDONJSA-N 2 2 390.203 3.649 20 0 GHADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261897715 845164760 /nfs/dbraw/zinc/16/47/60/845164760.db2.gz VYJWPUGAZAFWDA-FQEVSTJZSA-N 2 2 392.528 3.718 20 0 GHADLP COCc1ccccc1/C=C(/C)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000512727633 845206542 /nfs/dbraw/zinc/20/65/42/845206542.db2.gz JKEWXEQLIKRYFJ-KQQLFIIESA-N 2 2 394.559 3.805 20 0 GHADLP COCc1ccccc1/C=C(/C)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000512727633 845206550 /nfs/dbraw/zinc/20/65/50/845206550.db2.gz JKEWXEQLIKRYFJ-KQQLFIIESA-N 2 2 394.559 3.805 20 0 GHADLP COCc1ccccc1/C=C(/C)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000512727633 845206558 /nfs/dbraw/zinc/20/65/58/845206558.db2.gz JKEWXEQLIKRYFJ-KQQLFIIESA-N 2 2 394.559 3.805 20 0 GHADLP COCc1ccccc1/C=C(/C)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000512727633 845206571 /nfs/dbraw/zinc/20/65/71/845206571.db2.gz JKEWXEQLIKRYFJ-KQQLFIIESA-N 2 2 394.559 3.805 20 0 GHADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000513354837 845295309 /nfs/dbraw/zinc/29/53/09/845295309.db2.gz BBKMVBQTAXBBSS-GOSISDBHSA-N 2 2 386.511 3.682 20 0 GHADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000513354837 845295316 /nfs/dbraw/zinc/29/53/16/845295316.db2.gz BBKMVBQTAXBBSS-GOSISDBHSA-N 2 2 386.511 3.682 20 0 GHADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430032227 845588859 /nfs/dbraw/zinc/58/88/59/845588859.db2.gz NMWVYFHLOASXNT-NHCUHLMSSA-N 2 2 392.971 3.986 20 0 GHADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430032230 845588949 /nfs/dbraw/zinc/58/89/49/845588949.db2.gz NMWVYFHLOASXNT-RTWAWAEBSA-N 2 2 392.971 3.986 20 0 GHADLP CN(C(=O)C1CCC(F)(F)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000179553081 861629111 /nfs/dbraw/zinc/62/91/11/861629111.db2.gz XLFPBHNRDIGRMC-MOPGFXCFSA-N 2 2 385.543 3.608 20 0 GHADLP CN(C(=O)C1CCC(F)(F)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000179553081 861629115 /nfs/dbraw/zinc/62/91/15/861629115.db2.gz XLFPBHNRDIGRMC-MOPGFXCFSA-N 2 2 385.543 3.608 20 0 GHADLP Cc1c(F)cccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000421505210 846315076 /nfs/dbraw/zinc/31/50/76/846315076.db2.gz IDLPBOAOGLJYGG-SFTDATJTSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1c(F)cccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000421505210 846315082 /nfs/dbraw/zinc/31/50/82/846315082.db2.gz IDLPBOAOGLJYGG-SFTDATJTSA-N 2 2 375.532 3.543 20 0 GHADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c(OC)c1OC ZINC000582121914 846418694 /nfs/dbraw/zinc/41/86/94/846418694.db2.gz PDIDNIOJDOKTIT-HXUWFJFHSA-N 2 2 396.531 3.999 20 0 GHADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c(OC)c1OC ZINC000582121914 846418703 /nfs/dbraw/zinc/41/87/03/846418703.db2.gz PDIDNIOJDOKTIT-HXUWFJFHSA-N 2 2 396.531 3.999 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000152241053 846488568 /nfs/dbraw/zinc/48/85/68/846488568.db2.gz BTFKRRRELNDOOJ-HIFRSBDPSA-N 2 2 384.471 3.600 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000152241053 846488577 /nfs/dbraw/zinc/48/85/77/846488577.db2.gz BTFKRRRELNDOOJ-HIFRSBDPSA-N 2 2 384.471 3.600 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1Cn1cccn1 ZINC000152257294 846515624 /nfs/dbraw/zinc/51/56/24/846515624.db2.gz IRIOSVYORSVVJO-GOSISDBHSA-N 2 2 387.487 3.977 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673768902 861688921 /nfs/dbraw/zinc/68/89/21/861688921.db2.gz OBWOSDHKCBYDPE-UHFFFAOYSA-N 2 2 393.535 3.526 20 0 GHADLP COc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C2CC2)c(F)c1 ZINC000421830497 846608064 /nfs/dbraw/zinc/60/80/64/846608064.db2.gz KBRRXUKVEQCRNM-GOTSBHOMSA-N 2 2 384.495 3.512 20 0 GHADLP COc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C2CC2)c(F)c1 ZINC000421830497 846608066 /nfs/dbraw/zinc/60/80/66/846608066.db2.gz KBRRXUKVEQCRNM-GOTSBHOMSA-N 2 2 384.495 3.512 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](CC3CCCC3)C(C)C)CC2)CC1 ZINC000422009397 846747864 /nfs/dbraw/zinc/74/78/64/846747864.db2.gz AWFJJOXAWCPNJX-QFIPXVFZSA-N 2 2 377.617 3.858 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](CC3CCCC3)C(C)C)CC2)CC1 ZINC000422009397 846747874 /nfs/dbraw/zinc/74/78/74/846747874.db2.gz AWFJJOXAWCPNJX-QFIPXVFZSA-N 2 2 377.617 3.858 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(SC4CC4)cc3)CC2)CC1 ZINC000422028570 846759988 /nfs/dbraw/zinc/75/99/88/846759988.db2.gz YDNZFNGCTHLNIJ-UHFFFAOYSA-N 2 2 387.593 3.573 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(SC4CC4)cc3)CC2)CC1 ZINC000422028570 846759993 /nfs/dbraw/zinc/75/99/93/846759993.db2.gz YDNZFNGCTHLNIJ-UHFFFAOYSA-N 2 2 387.593 3.573 20 0 GHADLP CC[C@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)C1CCC(C)CC1 ZINC000422015548 846768219 /nfs/dbraw/zinc/76/82/19/846768219.db2.gz GXLFWUUBZLEYIB-AOMIVXANSA-N 2 2 377.617 3.858 20 0 GHADLP CC[C@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)C1CCC(C)CC1 ZINC000422015548 846768223 /nfs/dbraw/zinc/76/82/23/846768223.db2.gz GXLFWUUBZLEYIB-AOMIVXANSA-N 2 2 377.617 3.858 20 0 GHADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000501391892 846884898 /nfs/dbraw/zinc/88/48/98/846884898.db2.gz XKYXQAQWKNPWEJ-UHFFFAOYSA-N 2 2 399.279 3.958 20 0 GHADLP COc1ccccc1N1CC[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000272491753 847090399 /nfs/dbraw/zinc/09/03/99/847090399.db2.gz CKBRSVOMDYWMNA-MRXNPFEDSA-N 2 2 385.474 3.528 20 0 GHADLP O=C(C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1F)Nc1ccccc1F ZINC000420318337 847113822 /nfs/dbraw/zinc/11/38/22/847113822.db2.gz OMMOPJFGOOJMOM-QGZVFWFLSA-N 2 2 387.474 3.795 20 0 GHADLP O=C(C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1F)Nc1ccccc1F ZINC000420318337 847113833 /nfs/dbraw/zinc/11/38/33/847113833.db2.gz OMMOPJFGOOJMOM-QGZVFWFLSA-N 2 2 387.474 3.795 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420392635 847156541 /nfs/dbraw/zinc/15/65/41/847156541.db2.gz JADNXCROEWUEKK-DYESRHJHSA-N 2 2 381.520 3.684 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420392635 847156547 /nfs/dbraw/zinc/15/65/47/847156547.db2.gz JADNXCROEWUEKK-DYESRHJHSA-N 2 2 381.520 3.684 20 0 GHADLP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)c1 ZINC000273378022 847320878 /nfs/dbraw/zinc/32/08/78/847320878.db2.gz FCXKRJHFKJCTMV-UHFFFAOYSA-N 2 2 394.968 3.875 20 0 GHADLP COC[C@H]([NH2+]Cc1ccccc1C[NH2+][C@@H](COC)c1ccco1)c1ccco1 ZINC000273494138 847355506 /nfs/dbraw/zinc/35/55/06/847355506.db2.gz LGXGAHJSEBAXMC-PMACEKPBSA-N 2 2 384.476 3.827 20 0 GHADLP c1csc(C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]2CCCO2)c1 ZINC000420901394 847521291 /nfs/dbraw/zinc/52/12/91/847521291.db2.gz KZNSQMIRXRUUAL-NRFANRHFSA-N 2 2 386.561 3.762 20 0 GHADLP c1csc(C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]2CCCO2)c1 ZINC000420901394 847521296 /nfs/dbraw/zinc/52/12/96/847521296.db2.gz KZNSQMIRXRUUAL-NRFANRHFSA-N 2 2 386.561 3.762 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)c3nc(-c4ccccc4C)no3)CC2)CC1 ZINC000420981696 847589198 /nfs/dbraw/zinc/58/91/98/847589198.db2.gz NLUDSRKQBNRTDT-LJQANCHMSA-N 2 2 397.567 3.598 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3nc(-c4ccccc4C)no3)CC2)CC1 ZINC000420981696 847589204 /nfs/dbraw/zinc/58/92/04/847589204.db2.gz NLUDSRKQBNRTDT-LJQANCHMSA-N 2 2 397.567 3.598 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(Br)cc3F)CC2)CC1 ZINC000421016327 847639390 /nfs/dbraw/zinc/63/93/90/847639390.db2.gz USSHPTXHNLMDNX-UHFFFAOYSA-N 2 2 398.364 3.580 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(Br)cc3F)CC2)CC1 ZINC000421016327 847639394 /nfs/dbraw/zinc/63/93/94/847639394.db2.gz USSHPTXHNLMDNX-UHFFFAOYSA-N 2 2 398.364 3.580 20 0 GHADLP Cc1cc(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc(C)[nH+]1 ZINC000421054904 847647196 /nfs/dbraw/zinc/64/71/96/847647196.db2.gz QTDDCYQAOHWUNV-UHFFFAOYSA-N 2 2 384.549 3.611 20 0 GHADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380698 847654949 /nfs/dbraw/zinc/65/49/49/847654949.db2.gz VYBADWHXUJSKSL-PWIGDYEPSA-N 2 2 386.584 3.728 20 0 GHADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380698 847654959 /nfs/dbraw/zinc/65/49/59/847654959.db2.gz VYBADWHXUJSKSL-PWIGDYEPSA-N 2 2 386.584 3.728 20 0 GHADLP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)CC2)CC1 ZINC000152729500 847678155 /nfs/dbraw/zinc/67/81/55/847678155.db2.gz YBVBDZJQPDPYDM-GKYDQMIMSA-N 2 2 387.572 3.519 20 0 GHADLP C[C@@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C[NH+]1CCCCC1 ZINC000511169500 847690966 /nfs/dbraw/zinc/69/09/66/847690966.db2.gz OLTBQXCTKKCEOG-IRXDYDNUSA-N 2 2 393.601 3.619 20 0 GHADLP C[C@@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C[NH+]1CCCCC1 ZINC000511169500 847690973 /nfs/dbraw/zinc/69/09/73/847690973.db2.gz OLTBQXCTKKCEOG-IRXDYDNUSA-N 2 2 393.601 3.619 20 0 GHADLP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502346645 847783737 /nfs/dbraw/zinc/78/37/37/847783737.db2.gz QGSMPKULAIJXHA-NRFANRHFSA-N 2 2 375.520 3.844 20 0 GHADLP c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502346645 847783742 /nfs/dbraw/zinc/78/37/42/847783742.db2.gz QGSMPKULAIJXHA-NRFANRHFSA-N 2 2 375.520 3.844 20 0 GHADLP COc1ccc([C@@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422820939 847840106 /nfs/dbraw/zinc/84/01/06/847840106.db2.gz SXIDPJROSZZBBL-WOJBJXKFSA-N 2 2 399.501 3.742 20 0 GHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422901279 847879038 /nfs/dbraw/zinc/87/90/38/847879038.db2.gz RVCDBCXPFWSJHC-ILBGXUMGSA-N 3 2 391.559 3.805 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H](C)c1nc2ccccc2s1 ZINC000582656811 847939770 /nfs/dbraw/zinc/93/97/70/847939770.db2.gz VCOQIGWLHBVJTI-SQGPQFPESA-N 2 2 395.572 3.797 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H](C)c1nc2ccccc2s1 ZINC000582656811 847939777 /nfs/dbraw/zinc/93/97/77/847939777.db2.gz VCOQIGWLHBVJTI-SQGPQFPESA-N 2 2 395.572 3.797 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CSCc2ccc(Br)cc21 ZINC000657641802 848410962 /nfs/dbraw/zinc/41/09/62/848410962.db2.gz MINGNVUELUUCHJ-MRXNPFEDSA-N 2 2 378.339 3.988 20 0 GHADLP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000161721094 848705302 /nfs/dbraw/zinc/70/53/02/848705302.db2.gz CMYQJSQRTPOMSK-FGZHOGPDSA-N 2 2 389.503 3.995 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cs2)c(OC)c1 ZINC000582968698 848786111 /nfs/dbraw/zinc/78/61/11/848786111.db2.gz UEVVWEACMNZGEA-ILXRZTDVSA-N 2 2 375.538 3.633 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cs2)c(OC)c1 ZINC000582968698 848786123 /nfs/dbraw/zinc/78/61/23/848786123.db2.gz UEVVWEACMNZGEA-ILXRZTDVSA-N 2 2 375.538 3.633 20 0 GHADLP CCOc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1F ZINC000180127778 861968339 /nfs/dbraw/zinc/96/83/39/861968339.db2.gz GMLKIPXQNVHVPR-UHFFFAOYSA-N 2 2 391.918 3.919 20 0 GHADLP CCCCOc1c(Br)cc(C)cc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168746438 861986602 /nfs/dbraw/zinc/98/66/02/861986602.db2.gz PQXWJLZJUSNQRE-UHFFFAOYSA-N 2 2 383.334 3.530 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N(C)Cc3ccccc3C)C2)s1 ZINC000583171865 849243612 /nfs/dbraw/zinc/24/36/12/849243612.db2.gz INQHUUBHDBAUQR-HXUWFJFHSA-N 2 2 399.604 3.777 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N(C)Cc3ccccc3C)C2)s1 ZINC000583171865 849243618 /nfs/dbraw/zinc/24/36/18/849243618.db2.gz INQHUUBHDBAUQR-HXUWFJFHSA-N 2 2 399.604 3.777 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N(C)Cc3ccccc3C)C2)s1 ZINC000583171865 849243623 /nfs/dbraw/zinc/24/36/23/849243623.db2.gz INQHUUBHDBAUQR-HXUWFJFHSA-N 2 2 399.604 3.777 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N(C)Cc3ccccc3C)C2)s1 ZINC000583171865 849243630 /nfs/dbraw/zinc/24/36/30/849243630.db2.gz INQHUUBHDBAUQR-HXUWFJFHSA-N 2 2 399.604 3.777 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150816201 849293563 /nfs/dbraw/zinc/29/35/63/849293563.db2.gz KBUQOZMVBBHRGM-OFNKIYASSA-N 2 2 399.579 3.557 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150816201 849293571 /nfs/dbraw/zinc/29/35/71/849293571.db2.gz KBUQOZMVBBHRGM-OFNKIYASSA-N 2 2 399.579 3.557 20 0 GHADLP CCc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)o1 ZINC000150835701 849377133 /nfs/dbraw/zinc/37/71/33/849377133.db2.gz FPPADBMPQJYCPH-UHFFFAOYSA-N 2 2 381.442 3.902 20 0 GHADLP C[C@@H](C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732062700 862051046 /nfs/dbraw/zinc/05/10/46/862051046.db2.gz WJNMFEHQUKFKKZ-SIKLNZKXSA-N 2 2 396.579 3.757 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC[NH2+]Cc3cccnc3)[C@H]3CCC[C@H]32)cc1 ZINC000423180262 849788613 /nfs/dbraw/zinc/78/86/13/849788613.db2.gz AONXGRGLLQJAOX-TZRRMPRUSA-N 3 2 378.564 3.594 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[NH2+]Cc3cccnc3)[C@H]3CCC[C@H]32)cc1 ZINC000423180262 849788625 /nfs/dbraw/zinc/78/86/25/849788625.db2.gz AONXGRGLLQJAOX-TZRRMPRUSA-N 3 2 378.564 3.594 20 0 GHADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(F)c(Br)c1 ZINC000423229467 849817448 /nfs/dbraw/zinc/81/74/48/849817448.db2.gz HDNLZMXHHLLLHS-LBPRGKRZSA-N 2 2 379.277 3.566 20 0 GHADLP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000583434245 849896394 /nfs/dbraw/zinc/89/63/94/849896394.db2.gz BRPQQXBGDDZGLU-NFBKMPQASA-N 2 2 380.532 3.953 20 0 GHADLP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000583434245 849896402 /nfs/dbraw/zinc/89/64/02/849896402.db2.gz BRPQQXBGDDZGLU-NFBKMPQASA-N 2 2 380.532 3.953 20 0 GHADLP COC[C@@]1(C[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CCC[NH2+]1 ZINC000423439263 849932181 /nfs/dbraw/zinc/93/21/81/849932181.db2.gz VJPPJUARUDJCHR-UZLBHIALSA-N 2 2 375.513 3.685 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(-c2ccccc2Br)s1 ZINC000423510450 849961456 /nfs/dbraw/zinc/96/14/56/849961456.db2.gz JQYHXEQJTAENKF-UONOGXRCSA-N 2 2 394.382 3.732 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)c2c[nH]c3ncccc23)c(C)c1 ZINC000504393652 850050075 /nfs/dbraw/zinc/05/00/75/850050075.db2.gz IMQMBORGMFLNNF-DYESRHJHSA-N 2 2 387.487 3.979 20 0 GHADLP CC(=O)N(c1nc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cs1)c1ccc(F)cc1 ZINC000435370591 850438152 /nfs/dbraw/zinc/43/81/52/850438152.db2.gz POBXKUKAQOHPBT-ZDUSSCGKSA-N 2 2 376.501 3.526 20 0 GHADLP COc1cc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)ccc1OC(C)C ZINC000435423710 850502627 /nfs/dbraw/zinc/50/26/27/850502627.db2.gz VRDKDTDGLGWGQL-SFHVURJKSA-N 2 2 389.565 3.859 20 0 GHADLP COc1cc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)ccc1OC(C)C ZINC000435423710 850502631 /nfs/dbraw/zinc/50/26/31/850502631.db2.gz VRDKDTDGLGWGQL-SFHVURJKSA-N 2 2 389.565 3.859 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435423173 850503751 /nfs/dbraw/zinc/50/37/51/850503751.db2.gz PAJMQPZNOCLXRC-SFHVURJKSA-N 2 2 390.478 3.649 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435423173 850503759 /nfs/dbraw/zinc/50/37/59/850503759.db2.gz PAJMQPZNOCLXRC-SFHVURJKSA-N 2 2 390.478 3.649 20 0 GHADLP CCn1ccnc1C[N@H+](C/C=C\c1ccc(F)cc1F)[C@@H]1CC12CC[NH2+]CC2 ZINC000435424727 850504583 /nfs/dbraw/zinc/50/45/83/850504583.db2.gz ACWKFVHWFZIXOT-HZQHCPKGSA-N 2 2 386.490 3.839 20 0 GHADLP CCn1ccnc1C[N@@H+](C/C=C\c1ccc(F)cc1F)[C@@H]1CC12CC[NH2+]CC2 ZINC000435424727 850504586 /nfs/dbraw/zinc/50/45/86/850504586.db2.gz ACWKFVHWFZIXOT-HZQHCPKGSA-N 2 2 386.490 3.839 20 0 GHADLP CCOc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc(Br)c1OC(F)F ZINC000414802221 850593068 /nfs/dbraw/zinc/59/30/68/850593068.db2.gz VERAFFKJUKPIDX-GFCCVEGCSA-N 2 2 381.261 3.522 20 0 GHADLP CC[N@H+](Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435623587 850705656 /nfs/dbraw/zinc/70/56/56/850705656.db2.gz HPNAWMFHUZAVQM-HXUWFJFHSA-N 2 2 386.561 3.792 20 0 GHADLP CC[N@@H+](Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435623587 850705663 /nfs/dbraw/zinc/70/56/63/850705663.db2.gz HPNAWMFHUZAVQM-HXUWFJFHSA-N 2 2 386.561 3.792 20 0 GHADLP c1ccc(CCCOc2cccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)c2)cc1 ZINC000732229280 862162683 /nfs/dbraw/zinc/16/26/83/862162683.db2.gz NREFPAHTGLTJGA-LADGPHEKSA-N 2 2 380.532 3.651 20 0 GHADLP c1ccc(CCCOc2cccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)c2)cc1 ZINC000732229280 862162691 /nfs/dbraw/zinc/16/26/91/862162691.db2.gz NREFPAHTGLTJGA-LADGPHEKSA-N 2 2 380.532 3.651 20 0 GHADLP O=C(C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1ccccc1Cl ZINC000435692032 850770670 /nfs/dbraw/zinc/77/06/70/850770670.db2.gz IPUJSBPREBIUEM-GOSISDBHSA-N 2 2 389.952 3.984 20 0 GHADLP O=C(C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1ccccc1Cl ZINC000435692032 850770679 /nfs/dbraw/zinc/77/06/79/850770679.db2.gz IPUJSBPREBIUEM-GOSISDBHSA-N 2 2 389.952 3.984 20 0 GHADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000414845168 851076039 /nfs/dbraw/zinc/07/60/39/851076039.db2.gz LTXWVQWERGRWDL-UZLBHIALSA-N 2 2 399.535 3.834 20 0 GHADLP CN(C(=O)NC1CCC2(CC2)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000434454988 851157714 /nfs/dbraw/zinc/15/77/14/851157714.db2.gz UGAQYIUGDBWDBH-SFTDATJTSA-N 2 2 390.616 3.688 20 0 GHADLP CN(C(=O)NC1CCC2(CC2)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000434454988 851157720 /nfs/dbraw/zinc/15/77/20/851157720.db2.gz UGAQYIUGDBWDBH-SFTDATJTSA-N 2 2 390.616 3.688 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CO2 ZINC001167968943 851302143 /nfs/dbraw/zinc/30/21/43/851302143.db2.gz XGPLLHQPHZSNJW-YCXXCVGLSA-N 2 2 377.326 3.878 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CO2 ZINC001167968943 851302153 /nfs/dbraw/zinc/30/21/53/851302153.db2.gz XGPLLHQPHZSNJW-YCXXCVGLSA-N 2 2 377.326 3.878 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000425151142 851528428 /nfs/dbraw/zinc/52/84/28/851528428.db2.gz ZHUCNJISJDMLDU-JOCHJYFZSA-N 2 2 388.515 3.844 20 0 GHADLP c1cc(Sc2ccccn2)oc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000509998084 851571488 /nfs/dbraw/zinc/57/14/88/851571488.db2.gz LRLPGDPPBGYVLG-UHFFFAOYSA-N 2 2 395.528 3.948 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[NH+]3CCC(n4cc[nH+]c4)CC3)CC2)cc1 ZINC000111243749 851580459 /nfs/dbraw/zinc/58/04/59/851580459.db2.gz BVXZBWSYBHAEFG-UHFFFAOYSA-N 2 2 394.563 3.700 20 0 GHADLP O=C1[C@@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCN1c1ccc(Cl)cc1 ZINC000434747497 851615552 /nfs/dbraw/zinc/61/55/52/851615552.db2.gz QIIMCUDWIKUHHM-FQEVSTJZSA-N 2 2 398.938 3.858 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccsc1 ZINC000604577908 862317504 /nfs/dbraw/zinc/31/75/04/862317504.db2.gz OOHBRHXCYLMKIR-HXUWFJFHSA-N 2 2 397.548 3.816 20 0 GHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425997276 852342538 /nfs/dbraw/zinc/34/25/38/852342538.db2.gz WUIVQTFJVQJSKY-FQEVSTJZSA-N 2 2 378.438 3.774 20 0 GHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425997276 852342541 /nfs/dbraw/zinc/34/25/41/852342541.db2.gz WUIVQTFJVQJSKY-FQEVSTJZSA-N 2 2 378.438 3.774 20 0 GHADLP C[NH+](Cc1cccc(C(F)(F)F)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425997276 852342546 /nfs/dbraw/zinc/34/25/46/852342546.db2.gz WUIVQTFJVQJSKY-FQEVSTJZSA-N 2 2 378.438 3.774 20 0 GHADLP C[NH+](Cc1cccc(C(F)(F)F)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425997276 852342552 /nfs/dbraw/zinc/34/25/52/852342552.db2.gz WUIVQTFJVQJSKY-FQEVSTJZSA-N 2 2 378.438 3.774 20 0 GHADLP CN(C(=O)CCCc1ccc(C(C)(C)C)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559035 862357841 /nfs/dbraw/zinc/35/78/41/862357841.db2.gz GJIFLEIVHGIVGJ-QHCPKHFHSA-N 2 2 399.623 3.934 20 0 GHADLP CN(C(=O)CCCc1ccc(C(C)(C)C)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559035 862357858 /nfs/dbraw/zinc/35/78/58/862357858.db2.gz GJIFLEIVHGIVGJ-QHCPKHFHSA-N 2 2 399.623 3.934 20 0 GHADLP C[C@@H](NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)C(C)(C)C[NH+](C)C ZINC000425673060 852595477 /nfs/dbraw/zinc/59/54/77/852595477.db2.gz MHGQZVWYZVIFQG-MRXNPFEDSA-N 2 2 383.540 3.984 20 0 GHADLP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000490172714 852805169 /nfs/dbraw/zinc/80/51/69/852805169.db2.gz QEMYBQYQWLXRHD-OAQYLSRUSA-N 2 2 383.879 3.995 20 0 GHADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000506343669 852820215 /nfs/dbraw/zinc/82/02/15/852820215.db2.gz UFMKSEKGYLVCKS-UHFFFAOYSA-N 2 2 391.357 3.939 20 0 GHADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000506343669 852820224 /nfs/dbraw/zinc/82/02/24/852820224.db2.gz UFMKSEKGYLVCKS-UHFFFAOYSA-N 2 2 391.357 3.939 20 0 GHADLP C[C@@H]1C[N@@H+]([C@H]2CCc3c2cc(Cl)cc3Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490628504 853151281 /nfs/dbraw/zinc/15/12/81/853151281.db2.gz HJKUQKHRNPBNKD-XMCHAPAWSA-N 2 2 382.379 3.939 20 0 GHADLP C[C@@H]1C[N@H+]([C@H]2CCc3c2cc(Cl)cc3Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490628504 853151286 /nfs/dbraw/zinc/15/12/86/853151286.db2.gz HJKUQKHRNPBNKD-XMCHAPAWSA-N 2 2 382.379 3.939 20 0 GHADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccc2c[nH+]cn2c1 ZINC000516958862 853202941 /nfs/dbraw/zinc/20/29/41/853202941.db2.gz QZEJWIFYOZDSKH-SFHVURJKSA-N 2 2 386.858 3.694 20 0 GHADLP COC[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccc(Cl)c1F ZINC000290288692 853308810 /nfs/dbraw/zinc/30/88/10/853308810.db2.gz MQIKATXWHWLXKI-GOSISDBHSA-N 2 2 395.906 3.682 20 0 GHADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000440541601 853358806 /nfs/dbraw/zinc/35/88/06/853358806.db2.gz TYPISUHJPIXRDR-OAQYLSRUSA-N 2 2 388.515 3.857 20 0 GHADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000440541601 853358815 /nfs/dbraw/zinc/35/88/15/853358815.db2.gz TYPISUHJPIXRDR-OAQYLSRUSA-N 2 2 388.515 3.857 20 0 GHADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000491060515 853432267 /nfs/dbraw/zinc/43/22/67/853432267.db2.gz OGQMZOSDQNHLPB-FPOVZHCZSA-N 2 2 385.939 3.606 20 0 GHADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000491060515 853432273 /nfs/dbraw/zinc/43/22/73/853432273.db2.gz OGQMZOSDQNHLPB-FPOVZHCZSA-N 2 2 385.939 3.606 20 0 GHADLP COCOc1ccc(OC)cc1C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000163769300 853563462 /nfs/dbraw/zinc/56/34/62/853563462.db2.gz PKZBRCJTLJEPDC-UHFFFAOYSA-N 2 2 384.520 3.741 20 0 GHADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623890509 862503838 /nfs/dbraw/zinc/50/38/38/862503838.db2.gz OBSYCPWCLQAPNM-UTKZUKDTSA-N 2 2 399.560 3.622 20 0 GHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623890509 862503843 /nfs/dbraw/zinc/50/38/43/862503843.db2.gz OBSYCPWCLQAPNM-UTKZUKDTSA-N 2 2 399.560 3.622 20 0 GHADLP O=C(Nc1ccccc1-n1cc[nH+]c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520093556 853828295 /nfs/dbraw/zinc/82/82/95/853828295.db2.gz YBBOLKMNKHEXBN-SFHVURJKSA-N 2 2 378.451 3.862 20 0 GHADLP O=C(Nc1ccccc1-n1cc[nH+]c1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520093556 853828298 /nfs/dbraw/zinc/82/82/98/853828298.db2.gz YBBOLKMNKHEXBN-SFHVURJKSA-N 2 2 378.451 3.862 20 0 GHADLP CC[N@H+](CCc1cccs1)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000520170717 853912288 /nfs/dbraw/zinc/91/22/88/853912288.db2.gz LDFWOIBZUZUALP-IBGZPJMESA-N 2 2 385.577 3.518 20 0 GHADLP CC[N@@H+](CCc1cccs1)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000520170717 853912297 /nfs/dbraw/zinc/91/22/97/853912297.db2.gz LDFWOIBZUZUALP-IBGZPJMESA-N 2 2 385.577 3.518 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000604827650 862533512 /nfs/dbraw/zinc/53/35/12/862533512.db2.gz WEEZZVJCYIDNCY-MJGOQNOKSA-N 2 2 381.524 3.524 20 0 GHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441368443 854151313 /nfs/dbraw/zinc/15/13/13/854151313.db2.gz BEMMHIVLQVEXMQ-CVEARBPZSA-N 2 2 383.939 3.632 20 0 GHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441368443 854151322 /nfs/dbraw/zinc/15/13/22/854151322.db2.gz BEMMHIVLQVEXMQ-CVEARBPZSA-N 2 2 383.939 3.632 20 0 GHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441368443 854151325 /nfs/dbraw/zinc/15/13/25/854151325.db2.gz BEMMHIVLQVEXMQ-CVEARBPZSA-N 2 2 383.939 3.632 20 0 GHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441368443 854151330 /nfs/dbraw/zinc/15/13/30/854151330.db2.gz BEMMHIVLQVEXMQ-CVEARBPZSA-N 2 2 383.939 3.632 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000068311589 854568481 /nfs/dbraw/zinc/56/84/81/854568481.db2.gz ZUUZECYPZULZJW-UHFFFAOYSA-N 2 2 390.531 3.916 20 0 GHADLP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624015403 862584935 /nfs/dbraw/zinc/58/49/35/862584935.db2.gz WPLQMDPFNVJYQU-SWLSCSKDSA-N 2 2 391.865 3.528 20 0 GHADLP CC[C@@H]1CCCC[C@@H]1N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466593840 862617945 /nfs/dbraw/zinc/61/79/45/862617945.db2.gz URRXWHHWHMFQPW-UXHICEINSA-N 2 2 378.605 3.547 20 0 GHADLP FC(F)(F)c1ccc(-n2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cn2)cc1 ZINC000572802017 854992626 /nfs/dbraw/zinc/99/26/26/854992626.db2.gz JTAMDJDNOFKUPH-OAHLLOKOSA-N 2 2 375.398 3.994 20 0 GHADLP FC(F)(F)c1ccc(-n2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cn2)cc1 ZINC000572802017 854992633 /nfs/dbraw/zinc/99/26/33/854992633.db2.gz JTAMDJDNOFKUPH-OAHLLOKOSA-N 2 2 375.398 3.994 20 0 GHADLP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000589881570 855172948 /nfs/dbraw/zinc/17/29/48/855172948.db2.gz KLAORVYEGDJRMV-HSZRJFAPSA-N 2 2 388.515 3.888 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000441519803 855551749 /nfs/dbraw/zinc/55/17/49/855551749.db2.gz BKEYKTNRHOLVEU-QETWGEEDSA-N 2 2 397.567 3.661 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000590851688 855615495 /nfs/dbraw/zinc/61/54/95/855615495.db2.gz CDBCQBZNLPMIQP-SIKLNZKXSA-N 2 2 395.551 3.662 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000590851688 855615503 /nfs/dbraw/zinc/61/55/03/855615503.db2.gz CDBCQBZNLPMIQP-SIKLNZKXSA-N 2 2 395.551 3.662 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000573079041 855856741 /nfs/dbraw/zinc/85/67/41/855856741.db2.gz PNUPGXDGDKZSQW-GMAHTHKFSA-N 3 2 387.531 3.530 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000573079041 855856751 /nfs/dbraw/zinc/85/67/51/855856751.db2.gz PNUPGXDGDKZSQW-GMAHTHKFSA-N 3 2 387.531 3.530 20 0 GHADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000542840584 856106013 /nfs/dbraw/zinc/10/60/13/856106013.db2.gz NHKHSVQYNPAPCN-CYBMUJFWSA-N 2 2 380.355 3.956 20 0 GHADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000542840584 856106019 /nfs/dbraw/zinc/10/60/19/856106019.db2.gz NHKHSVQYNPAPCN-CYBMUJFWSA-N 2 2 380.355 3.956 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccco1 ZINC000303928381 856204554 /nfs/dbraw/zinc/20/45/54/856204554.db2.gz QBXZGMHFAVULIR-QFIPXVFZSA-N 2 2 391.515 3.701 20 0 GHADLP C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000485228812 856250715 /nfs/dbraw/zinc/25/07/15/856250715.db2.gz GOJWAPCWWUTQFV-IERDGZPVSA-N 2 2 395.482 3.502 20 0 GHADLP C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000485228814 856251114 /nfs/dbraw/zinc/25/11/14/856251114.db2.gz GOJWAPCWWUTQFV-KKSFZXQISA-N 2 2 395.482 3.502 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485390265 856431743 /nfs/dbraw/zinc/43/17/43/856431743.db2.gz YACZAJYYHMOUJC-DYXWJJEUSA-N 2 2 375.520 3.829 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485390265 856431748 /nfs/dbraw/zinc/43/17/48/856431748.db2.gz YACZAJYYHMOUJC-DYXWJJEUSA-N 2 2 375.520 3.829 20 0 GHADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cccnc2N2CCCC2)CC1 ZINC000658105922 856617707 /nfs/dbraw/zinc/61/77/07/856617707.db2.gz LVYFGTRJSUJZJP-HXUWFJFHSA-N 2 2 378.564 3.867 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@@H]2Cc3cccc(Cl)c3C2)cs1 ZINC001168691522 856934036 /nfs/dbraw/zinc/93/40/36/856934036.db2.gz PLSSMIXSSVJBMK-CQSZACIVSA-N 2 2 381.998 3.848 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000665250414 856956820 /nfs/dbraw/zinc/95/68/20/856956820.db2.gz QDSZHPCSZQHSOR-KNXBSLHKSA-N 2 2 378.520 3.767 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000665254853 857073513 /nfs/dbraw/zinc/07/35/13/857073513.db2.gz AEVDKNUAUUVEIY-VSDWSMLSSA-N 2 2 395.547 3.583 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)CC2)cc1 ZINC000593292612 857455156 /nfs/dbraw/zinc/45/51/56/857455156.db2.gz JNQXBMDLNDJMGU-HSZRJFAPSA-N 2 2 394.563 3.700 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)CC2)cc1 ZINC000593292612 857455167 /nfs/dbraw/zinc/45/51/67/857455167.db2.gz JNQXBMDLNDJMGU-HSZRJFAPSA-N 2 2 394.563 3.700 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccc2ccccc21 ZINC000675499576 857475978 /nfs/dbraw/zinc/47/59/78/857475978.db2.gz MJCZMEZBUVJWRH-OALUTQOASA-N 2 2 388.515 3.623 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000675532453 857486487 /nfs/dbraw/zinc/48/64/87/857486487.db2.gz ONXPHEPARNJSJP-IRXDYDNUSA-N 2 2 377.492 3.612 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)c1cccc(-n2cnnn2)c1 ZINC000675763225 857592327 /nfs/dbraw/zinc/59/23/27/857592327.db2.gz IVKIODBYUIATAI-XXBNENTESA-N 2 2 390.535 3.786 20 0 GHADLP COC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(C(F)(F)F)c1 ZINC000675883295 857659334 /nfs/dbraw/zinc/65/93/34/857659334.db2.gz ZJLZIEANUIZNAE-MOPGFXCFSA-N 2 2 386.458 3.626 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(CC[NH+](C)C)cc3)n2)C1 ZINC000521219913 857757329 /nfs/dbraw/zinc/75/73/29/857757329.db2.gz YLVJKGCEZABWGS-MRXNPFEDSA-N 2 2 386.565 3.731 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(CC[NH+](C)C)cc3)n2)C1 ZINC000521219913 857757337 /nfs/dbraw/zinc/75/73/37/857757337.db2.gz YLVJKGCEZABWGS-MRXNPFEDSA-N 2 2 386.565 3.731 20 0 GHADLP Cc1[nH+]cc(CNc2ccc(C[NH+]3CCC(O)CC3)cc2)n1-c1ccccc1 ZINC000676316645 857822607 /nfs/dbraw/zinc/82/26/07/857822607.db2.gz ZVAUBFFHCYJZKK-UHFFFAOYSA-N 2 2 376.504 3.750 20 0 GHADLP COc1ccc(Br)cc1-c1nc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cs1 ZINC000442767259 858128300 /nfs/dbraw/zinc/12/83/00/858128300.db2.gz MJUREZQPADQBFJ-NEPJUHHUSA-N 2 2 396.354 3.750 20 0 GHADLP COc1ccc(Br)cc1-c1nc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cs1 ZINC000442767259 858128303 /nfs/dbraw/zinc/12/83/03/858128303.db2.gz MJUREZQPADQBFJ-NEPJUHHUSA-N 2 2 396.354 3.750 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)n2C ZINC000521941616 858471819 /nfs/dbraw/zinc/47/18/19/858471819.db2.gz AFEXDJREHBZLHI-IEBWSBKVSA-N 2 2 378.520 3.582 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)n2C ZINC000521941616 858471828 /nfs/dbraw/zinc/47/18/28/858471828.db2.gz AFEXDJREHBZLHI-IEBWSBKVSA-N 2 2 378.520 3.582 20 0 GHADLP CNC(=O)[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(F)cc1C ZINC000575123155 858572030 /nfs/dbraw/zinc/57/20/30/858572030.db2.gz ZBBJFMGATRXPGY-XLIONFOSSA-N 2 2 394.494 3.575 20 0 GHADLP Cc1ccc(C)c(C[N@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000429290127 858943895 /nfs/dbraw/zinc/94/38/95/858943895.db2.gz REQGBCGFKUPDPJ-UHFFFAOYSA-N 2 2 397.588 3.923 20 0 GHADLP Cc1ccc(C)c(C[N@@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000429290127 858943899 /nfs/dbraw/zinc/94/38/99/858943899.db2.gz REQGBCGFKUPDPJ-UHFFFAOYSA-N 2 2 397.588 3.923 20 0 GHADLP COC(=O)c1cnoc1C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596590866 858955397 /nfs/dbraw/zinc/95/53/97/858955397.db2.gz HIYVIXPBNKPVJK-OAQYLSRUSA-N 2 2 397.519 3.584 20 0 GHADLP COC(=O)c1cnoc1C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596590866 858955402 /nfs/dbraw/zinc/95/54/02/858955402.db2.gz HIYVIXPBNKPVJK-OAQYLSRUSA-N 2 2 397.519 3.584 20 0 GHADLP COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429681953 859010674 /nfs/dbraw/zinc/01/06/74/859010674.db2.gz XCGNLVYYHBPGGH-BJKOFHAPSA-N 2 2 394.559 3.993 20 0 GHADLP COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429681953 859010688 /nfs/dbraw/zinc/01/06/88/859010688.db2.gz XCGNLVYYHBPGGH-BJKOFHAPSA-N 2 2 394.559 3.993 20 0 GHADLP COc1ccccc1C[C@@H]1CCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429681953 859010699 /nfs/dbraw/zinc/01/06/99/859010699.db2.gz XCGNLVYYHBPGGH-BJKOFHAPSA-N 2 2 394.559 3.993 20 0 GHADLP COc1ccccc1C[C@@H]1CCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429681953 859010706 /nfs/dbraw/zinc/01/07/06/859010706.db2.gz XCGNLVYYHBPGGH-BJKOFHAPSA-N 2 2 394.559 3.993 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CN(c2ccccc2)CCO1 ZINC000568164214 859059838 /nfs/dbraw/zinc/05/98/38/859059838.db2.gz MQDGTYLFIWXMPO-QHCPKHFHSA-N 2 2 394.563 3.525 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CN(c2ccccc2)CCO1 ZINC000568164214 859059850 /nfs/dbraw/zinc/05/98/50/859059850.db2.gz MQDGTYLFIWXMPO-QHCPKHFHSA-N 2 2 394.563 3.525 20 0 GHADLP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000466712302 859254084 /nfs/dbraw/zinc/25/40/84/859254084.db2.gz HJBKFNPMKNQDJG-OAHLLOKOSA-N 2 2 399.938 3.629 20 0 GHADLP CN(C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479052 859291356 /nfs/dbraw/zinc/29/13/56/859291356.db2.gz TVXDPEPCQZPBSG-VXNXHJTFSA-N 2 2 391.559 3.570 20 0 GHADLP CN(C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479052 859291369 /nfs/dbraw/zinc/29/13/69/859291369.db2.gz TVXDPEPCQZPBSG-VXNXHJTFSA-N 2 2 391.559 3.570 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000429414452 859307725 /nfs/dbraw/zinc/30/77/25/859307725.db2.gz YCQTXLWCRHEGCB-LADGPHEKSA-N 2 2 380.532 3.953 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000429414452 859307737 /nfs/dbraw/zinc/30/77/37/859307737.db2.gz YCQTXLWCRHEGCB-LADGPHEKSA-N 2 2 380.532 3.953 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2cc3ccc(Cl)cc3[nH]2)([NH+]2CCCCC2)CC1 ZINC000172850689 859315523 /nfs/dbraw/zinc/31/55/23/859315523.db2.gz JMOASZRFMZTACI-UHFFFAOYSA-N 2 2 388.943 3.501 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CCC2 ZINC000597202082 859359150 /nfs/dbraw/zinc/35/91/50/859359150.db2.gz QRETWYKSESOMDZ-KRWDZBQOSA-N 2 2 398.469 3.900 20 0 GHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000522402344 859370422 /nfs/dbraw/zinc/37/04/22/859370422.db2.gz NTVQFVXXSWJLCZ-QFIPXVFZSA-N 2 2 395.551 3.716 20 0 GHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000522402344 859370426 /nfs/dbraw/zinc/37/04/26/859370426.db2.gz NTVQFVXXSWJLCZ-QFIPXVFZSA-N 2 2 395.551 3.716 20 0 GHADLP O[C@@H]1CCC[C@@]1(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)Cc1ccc(F)cc1 ZINC000429459507 859421283 /nfs/dbraw/zinc/42/12/83/859421283.db2.gz WAYHSQXJZYVTFQ-GGAORHGYSA-N 2 2 383.511 3.553 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000532203168 881420107 /nfs/dbraw/zinc/42/01/07/881420107.db2.gz KBWLYENWCFMNQK-LSDHHAIUSA-N 2 2 387.446 3.624 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000532203168 881420256 /nfs/dbraw/zinc/42/02/56/881420256.db2.gz KBWLYENWCFMNQK-LSDHHAIUSA-N 2 2 387.446 3.624 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000483697028 859548330 /nfs/dbraw/zinc/54/83/30/859548330.db2.gz IDINCPQFWWMULH-IBGZPJMESA-N 2 2 386.293 3.766 20 0 GHADLP Cn1ncc(Br)c1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000383665730 859676354 /nfs/dbraw/zinc/67/63/54/859676354.db2.gz MXUKBCSWFKLHPB-QGZVFWFLSA-N 2 2 391.357 3.575 20 0 GHADLP Cn1ncc(Br)c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000383665730 859676361 /nfs/dbraw/zinc/67/63/61/859676361.db2.gz MXUKBCSWFKLHPB-QGZVFWFLSA-N 2 2 391.357 3.575 20 0 GHADLP O[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000895676977 859782454 /nfs/dbraw/zinc/78/24/54/859782454.db2.gz GSZSTUAIQDETSS-VNQPRFMTSA-N 2 2 378.385 3.503 20 0 GHADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000895676977 859782459 /nfs/dbraw/zinc/78/24/59/859782459.db2.gz GSZSTUAIQDETSS-VNQPRFMTSA-N 2 2 378.385 3.503 20 0 GHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474320156 859830460 /nfs/dbraw/zinc/83/04/60/859830460.db2.gz BNYWLIRBHLVZCA-NHCUHLMSSA-N 2 2 399.510 3.727 20 0 GHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474320156 859830463 /nfs/dbraw/zinc/83/04/63/859830463.db2.gz BNYWLIRBHLVZCA-NHCUHLMSSA-N 2 2 399.510 3.727 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1CO)CCC2 ZINC000484152145 859831049 /nfs/dbraw/zinc/83/10/49/859831049.db2.gz OVNUWXJJFQCVRA-AGILITTLSA-N 2 2 380.532 3.545 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1CO)CCC2 ZINC000484152145 859831060 /nfs/dbraw/zinc/83/10/60/859831060.db2.gz OVNUWXJJFQCVRA-AGILITTLSA-N 2 2 380.532 3.545 20 0 GHADLP COc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)ccc1OC(=O)C1CC1 ZINC000895710628 859845806 /nfs/dbraw/zinc/84/58/06/859845806.db2.gz JSVNKFMNOYJLDI-FQEVSTJZSA-N 2 2 391.471 3.738 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cnc2ccsc2c1 ZINC000484153348 859848471 /nfs/dbraw/zinc/84/84/71/859848471.db2.gz AHEJCXNLAZLMPL-PWIZWCRZSA-N 2 2 381.545 3.830 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cnc2ccsc2c1 ZINC000484153348 859848476 /nfs/dbraw/zinc/84/84/76/859848476.db2.gz AHEJCXNLAZLMPL-PWIZWCRZSA-N 2 2 381.545 3.830 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OC(F)F)cc1 ZINC000484158026 859852423 /nfs/dbraw/zinc/85/24/23/859852423.db2.gz JUWVJJGQZXPEHH-LRQRDZAKSA-N 2 2 390.474 3.822 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OC(F)F)cc1 ZINC000484158026 859852429 /nfs/dbraw/zinc/85/24/29/859852429.db2.gz JUWVJJGQZXPEHH-LRQRDZAKSA-N 2 2 390.474 3.822 20 0 GHADLP Cc1ccc(Nc2ccccc2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000602199802 859861237 /nfs/dbraw/zinc/86/12/37/859861237.db2.gz APOXWMOHNWZFDM-FQEVSTJZSA-N 2 2 392.547 3.637 20 0 GHADLP Cc1ccc(Nc2ccccc2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000602199802 859861244 /nfs/dbraw/zinc/86/12/44/859861244.db2.gz APOXWMOHNWZFDM-FQEVSTJZSA-N 2 2 392.547 3.637 20 0 GHADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(I)cc1 ZINC000484295975 859930849 /nfs/dbraw/zinc/93/08/49/859930849.db2.gz GJKPINSLCYYXCM-ZDUSSCGKSA-N 2 2 381.261 3.839 20 0 GHADLP C[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)N1CCc2ccccc21 ZINC000765376766 859935672 /nfs/dbraw/zinc/93/56/72/859935672.db2.gz OOSIBRZPLXRDRQ-IBGZPJMESA-N 2 2 378.564 3.762 20 0 GHADLP CCc1ccc([C@H](CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+](C)C)cc1 ZINC000474392584 859985245 /nfs/dbraw/zinc/98/52/45/859985245.db2.gz PGTGXIHLBGKKHZ-RXVVDRJESA-N 2 2 382.552 3.620 20 0 GHADLP CCc1ccc([C@H](CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[NH+](C)C)cc1 ZINC000474392584 859985252 /nfs/dbraw/zinc/98/52/52/859985252.db2.gz PGTGXIHLBGKKHZ-RXVVDRJESA-N 2 2 382.552 3.620 20 0 GHADLP C[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)[NH+]1CCC(C)CC1 ZINC000532218524 881500018 /nfs/dbraw/zinc/50/00/18/881500018.db2.gz ANRLAKCANWTIAT-ZWKOTPCHSA-N 2 2 379.976 3.787 20 0 GHADLP CCO[C@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C12CCC2 ZINC001170385895 881501411 /nfs/dbraw/zinc/50/14/11/881501411.db2.gz KHFNOVPFKOHKTE-SFTDATJTSA-N 2 2 391.987 3.789 20 0 GHADLP CC(C)(C[NH3+])C1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000904394120 860390862 /nfs/dbraw/zinc/39/08/62/860390862.db2.gz OUMDMAUBWRTAIH-UHFFFAOYSA-N 2 2 393.535 3.831 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc2c(c1)CC(=O)N2C ZINC000765699694 860419365 /nfs/dbraw/zinc/41/93/65/860419365.db2.gz ZFRKINRVDLLCBR-QGZVFWFLSA-N 2 2 392.547 3.591 20 0 GHADLP Oc1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1Br ZINC000904471226 860463184 /nfs/dbraw/zinc/46/31/84/860463184.db2.gz FRBPEZFCDSHZGP-HNAYVOBHSA-N 2 2 389.293 3.500 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000904639744 860540293 /nfs/dbraw/zinc/54/02/93/860540293.db2.gz LMOKONOXKHYFET-ROUUACIJSA-N 2 2 376.863 3.505 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000904639744 860540300 /nfs/dbraw/zinc/54/03/00/860540300.db2.gz LMOKONOXKHYFET-ROUUACIJSA-N 2 2 376.863 3.505 20 0 GHADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001170409472 881577735 /nfs/dbraw/zinc/57/77/35/881577735.db2.gz CMNWADBBVAKZOD-HXUWFJFHSA-N 2 2 396.531 3.999 20 0 GHADLP CCC[N@@H+](Cc1nnc(C(C)(C)C)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477058 881587303 /nfs/dbraw/zinc/58/73/03/881587303.db2.gz GRUQVDLXKGHQNU-UHFFFAOYSA-N 2 2 386.544 3.655 20 0 GHADLP CCC[N@H+](Cc1nnc(C(C)(C)C)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477058 881587288 /nfs/dbraw/zinc/58/72/88/881587288.db2.gz GRUQVDLXKGHQNU-UHFFFAOYSA-N 2 2 386.544 3.655 20 0 GHADLP C[C@@H]1C[C@@H](N(C)C(=O)NCCCNc2cccc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000156639103 860893694 /nfs/dbraw/zinc/89/36/94/860893694.db2.gz IHDXCQHNTNVOFM-CTNGQTDRSA-N 2 2 395.551 3.578 20 0 GHADLP C[C@@H]1C[C@@H](N(C)C(=O)NCCCNc2cccc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000156639103 860893703 /nfs/dbraw/zinc/89/37/03/860893703.db2.gz IHDXCQHNTNVOFM-CTNGQTDRSA-N 2 2 395.551 3.578 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCCC1)c1ccccc1 ZINC000603611238 860903474 /nfs/dbraw/zinc/90/34/74/860903474.db2.gz YWRINKXAWSALST-TZIWHRDSSA-N 2 2 395.551 3.893 20 0 GHADLP Fc1ccc(Oc2nc3ccccn3c2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000623360899 860921760 /nfs/dbraw/zinc/92/17/60/860921760.db2.gz DBLBCFPEZDUWME-ZWKOTPCHSA-N 2 2 380.467 3.982 20 0 GHADLP Fc1ccc(Oc2nc3ccccn3c2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000623360899 860921768 /nfs/dbraw/zinc/92/17/68/860921768.db2.gz DBLBCFPEZDUWME-ZWKOTPCHSA-N 2 2 380.467 3.982 20 0 GHADLP Cc1[nH]c(C2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)CC2)[nH+]c1C ZINC000899511350 860952214 /nfs/dbraw/zinc/95/22/14/860952214.db2.gz CKAMTSCXUMUJFF-FQEVSTJZSA-N 2 2 384.499 3.536 20 0 GHADLP Cc1[nH]c(C2CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)CC2)[nH+]c1C ZINC000899511350 860952225 /nfs/dbraw/zinc/95/22/25/860952225.db2.gz CKAMTSCXUMUJFF-FQEVSTJZSA-N 2 2 384.499 3.536 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3CCC(C(C)(C)C)CC3)CC2)CC1 ZINC000120626647 881643821 /nfs/dbraw/zinc/64/38/21/881643821.db2.gz RCXDLJPJRIIBQT-UHFFFAOYSA-N 2 2 392.632 3.697 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000090003649 881659168 /nfs/dbraw/zinc/65/91/68/881659168.db2.gz LGNOZZXDUMGNHU-FQEVSTJZSA-N 2 2 380.536 3.501 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000090003649 881659178 /nfs/dbraw/zinc/65/91/78/881659178.db2.gz LGNOZZXDUMGNHU-FQEVSTJZSA-N 2 2 380.536 3.501 20 0 GHADLP CC(C)n1cc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cn1 ZINC000482629773 863403614 /nfs/dbraw/zinc/40/36/14/863403614.db2.gz OWAREKQSVZZVGB-GOSISDBHSA-N 2 2 389.975 3.980 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1ccccc1 ZINC000606376207 863570272 /nfs/dbraw/zinc/57/02/72/863570272.db2.gz LRAXILOJEONGIE-PWHSHALESA-N 2 2 395.547 3.927 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1ccccc1 ZINC000606376207 863570279 /nfs/dbraw/zinc/57/02/79/863570279.db2.gz LRAXILOJEONGIE-PWHSHALESA-N 2 2 395.547 3.927 20 0 GHADLP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494404784 881678807 /nfs/dbraw/zinc/67/88/07/881678807.db2.gz LDVMJERLQAWCHO-IUODEOHRSA-N 2 2 393.331 3.860 20 0 GHADLP Cc1cc(C)n2c(C[N@@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)cnc2n1 ZINC000537629851 881690170 /nfs/dbraw/zinc/69/01/70/881690170.db2.gz IERJYSZNZQWICJ-XMMPIXPASA-N 2 2 389.547 3.834 20 0 GHADLP Cc1cc(C)n2c(C[N@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)cnc2n1 ZINC000537629851 881690178 /nfs/dbraw/zinc/69/01/78/881690178.db2.gz IERJYSZNZQWICJ-XMMPIXPASA-N 2 2 389.547 3.834 20 0 GHADLP Cc1cc(C)n2c(C[NH+]3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)cnc2n1 ZINC000537629851 881690183 /nfs/dbraw/zinc/69/01/83/881690183.db2.gz IERJYSZNZQWICJ-XMMPIXPASA-N 2 2 389.547 3.834 20 0 GHADLP Cc1cc(C)n2c(C[NH+]3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)cnc2n1 ZINC000537629851 881690190 /nfs/dbraw/zinc/69/01/90/881690190.db2.gz IERJYSZNZQWICJ-XMMPIXPASA-N 2 2 389.547 3.834 20 0 GHADLP C[N@H+](CCCO)C1CC[NH+](CCOc2ccc(Oc3ccccc3)cc2)CC1 ZINC000120746607 881704124 /nfs/dbraw/zinc/70/41/24/881704124.db2.gz BUYWTSKDEPFNDM-UHFFFAOYSA-N 2 2 384.520 3.636 20 0 GHADLP C[N@@H+](CCCO)C1CC[NH+](CCOc2ccc(Oc3ccccc3)cc2)CC1 ZINC000120746607 881704135 /nfs/dbraw/zinc/70/41/35/881704135.db2.gz BUYWTSKDEPFNDM-UHFFFAOYSA-N 2 2 384.520 3.636 20 0 GHADLP C[N@@H+]1CCC[C@H](c2cccc(C(=O)N3CC[NH+](Cc4cccs4)CC3)c2)C1 ZINC000856738151 881704770 /nfs/dbraw/zinc/70/47/70/881704770.db2.gz URDROPOSOQTNTH-FQEVSTJZSA-N 2 2 383.561 3.515 20 0 GHADLP C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CC[NH+](Cc4cccs4)CC3)c2)C1 ZINC000856738151 881704779 /nfs/dbraw/zinc/70/47/79/881704779.db2.gz URDROPOSOQTNTH-FQEVSTJZSA-N 2 2 383.561 3.515 20 0 GHADLP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]3CCC(C)CC3)cs2)cs1 ZINC000158926147 863991767 /nfs/dbraw/zinc/99/17/67/863991767.db2.gz YHGHXNITLKMFGR-WMLDXEAASA-N 2 2 379.595 3.923 20 0 GHADLP CC[N@H+](Cc1cnc2n1CCC2)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000667628636 864155546 /nfs/dbraw/zinc/15/55/46/864155546.db2.gz MJJABTHYAHUAAE-UHFFFAOYSA-N 2 2 382.556 3.542 20 0 GHADLP CC[N@@H+](Cc1cnc2n1CCC2)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000667628636 864155557 /nfs/dbraw/zinc/15/55/57/864155557.db2.gz MJJABTHYAHUAAE-UHFFFAOYSA-N 2 2 382.556 3.542 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000475115389 864237791 /nfs/dbraw/zinc/23/77/91/864237791.db2.gz CEFSAFYZDAVZHH-YOEHRIQHSA-N 2 2 398.457 3.575 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000475115389 864237806 /nfs/dbraw/zinc/23/78/06/864237806.db2.gz CEFSAFYZDAVZHH-YOEHRIQHSA-N 2 2 398.457 3.575 20 0 GHADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000475125936 864262784 /nfs/dbraw/zinc/26/27/84/864262784.db2.gz YGUDRMKETFKBRT-UHFFFAOYSA-N 2 2 380.323 3.634 20 0 GHADLP C[NH+]1CCC2(CCC[N@H+]2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000475125936 864262797 /nfs/dbraw/zinc/26/27/97/864262797.db2.gz YGUDRMKETFKBRT-UHFFFAOYSA-N 2 2 380.323 3.634 20 0 GHADLP C[C@@H]1CC([NH+]2CCN(c3ccc(Cl)nn3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056898 864357502 /nfs/dbraw/zinc/35/75/02/864357502.db2.gz JOJYKXPNTJVBPI-QZTJIDSGSA-N 2 2 399.970 3.694 20 0 GHADLP C[C@@H]1C[C@@H](N2CCC(C)([NH+]3CCOCC3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168059396 864544683 /nfs/dbraw/zinc/54/46/83/864544683.db2.gz FFQXVWQZVPUDLQ-IUTQVRIDSA-N 2 2 385.596 3.615 20 0 GHADLP C[C@@H]1C[C@@H](N2CCC(C)([NH+]3CCOCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059396 864544689 /nfs/dbraw/zinc/54/46/89/864544689.db2.gz FFQXVWQZVPUDLQ-IUTQVRIDSA-N 2 2 385.596 3.615 20 0 GHADLP CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[NH+](C)C)cc1 ZINC000554652546 864678412 /nfs/dbraw/zinc/67/84/12/864678412.db2.gz HLLHVNRZULRHMC-QFIPXVFZSA-N 2 2 392.503 3.692 20 0 GHADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000475383721 864908719 /nfs/dbraw/zinc/90/87/19/864908719.db2.gz NLJVITJGBLDNOM-UHFFFAOYSA-N 2 2 399.498 3.515 20 0 GHADLP CN(C(=O)CC(C)(C)C(F)(F)F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000480582991 864908709 /nfs/dbraw/zinc/90/87/09/864908709.db2.gz QAEQCWQZDSLZCU-IRXDYDNUSA-N 2 2 391.522 3.761 20 0 GHADLP CN(C(=O)CC(C)(C)C(F)(F)F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000480582991 864908721 /nfs/dbraw/zinc/90/87/21/864908721.db2.gz QAEQCWQZDSLZCU-IRXDYDNUSA-N 2 2 391.522 3.761 20 0 GHADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(CO)o2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000608057039 864980046 /nfs/dbraw/zinc/98/00/46/864980046.db2.gz WXDNALOZXBEMIO-DNVCBOLYSA-N 2 2 382.426 3.963 20 0 GHADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(CO)o2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000608057039 864980052 /nfs/dbraw/zinc/98/00/52/864980052.db2.gz WXDNALOZXBEMIO-DNVCBOLYSA-N 2 2 382.426 3.963 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Oc2ccc(F)cc2)cc1Cl ZINC000480690288 865095149 /nfs/dbraw/zinc/09/51/49/865095149.db2.gz QXGXOTAVBXNZFS-VLIAUNLRSA-N 2 2 378.875 3.989 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Oc2ccc(F)cc2)cc1Cl ZINC000480690288 865095155 /nfs/dbraw/zinc/09/51/55/865095155.db2.gz QXGXOTAVBXNZFS-VLIAUNLRSA-N 2 2 378.875 3.989 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc(OC)cc3F)cc2)CC1 ZINC000480740897 865206393 /nfs/dbraw/zinc/20/63/93/865206393.db2.gz QQPHADDDZLZRLZ-GOSISDBHSA-N 2 2 385.527 3.823 20 0 GHADLP O[C@H](C[NH2+][C@@H]1CCSc2c(Cl)cccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000480792300 865284283 /nfs/dbraw/zinc/28/42/83/865284283.db2.gz CTMPQIRSWUCFJI-YLJYHZDGSA-N 2 2 388.964 3.886 20 0 GHADLP O[C@H](C[NH2+][C@@H]1CCSc2c(Cl)cccc21)C[N@H+]1CCc2ccccc2C1 ZINC000480792300 865284291 /nfs/dbraw/zinc/28/42/91/865284291.db2.gz CTMPQIRSWUCFJI-YLJYHZDGSA-N 2 2 388.964 3.886 20 0 GHADLP CN(c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)[C@@H]1CCC[N@H+](C)C1 ZINC000301330620 865289122 /nfs/dbraw/zinc/28/91/22/865289122.db2.gz DNSOCQCGYXDHOQ-QGZVFWFLSA-N 2 2 395.576 3.950 20 0 GHADLP CN(c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)[C@@H]1CCC[N@@H+](C)C1 ZINC000301330620 865289133 /nfs/dbraw/zinc/28/91/33/865289133.db2.gz DNSOCQCGYXDHOQ-QGZVFWFLSA-N 2 2 395.576 3.950 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301800776 865542341 /nfs/dbraw/zinc/54/23/41/865542341.db2.gz VURIPPPJYRMHST-HRAATJIYSA-N 2 2 379.504 3.865 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301800776 865542346 /nfs/dbraw/zinc/54/23/46/865542346.db2.gz VURIPPPJYRMHST-HRAATJIYSA-N 2 2 379.504 3.865 20 0 GHADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000121062378 881900680 /nfs/dbraw/zinc/90/06/80/881900680.db2.gz UMGKZSCNFWBSQD-MRXNPFEDSA-N 2 2 380.602 3.557 20 0 GHADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000121062378 881900692 /nfs/dbraw/zinc/90/06/92/881900692.db2.gz UMGKZSCNFWBSQD-MRXNPFEDSA-N 2 2 380.602 3.557 20 0 GHADLP CCCCC[C@H]1CCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000494559186 881911386 /nfs/dbraw/zinc/91/13/86/881911386.db2.gz TWSISRLOVTWHHG-FQEVSTJZSA-N 2 2 378.605 3.691 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000481165402 865903072 /nfs/dbraw/zinc/90/30/72/865903072.db2.gz BLWFOQSGHOJVSU-KOHBRAJASA-N 2 2 385.596 3.816 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000481165402 865903081 /nfs/dbraw/zinc/90/30/81/865903081.db2.gz BLWFOQSGHOJVSU-KOHBRAJASA-N 2 2 385.596 3.816 20 0 GHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[NH+]3CCC2CC3)n1 ZINC000302778033 865919084 /nfs/dbraw/zinc/91/90/84/865919084.db2.gz PQAGNOAZFMVYLM-UHFFFAOYSA-N 2 2 393.560 3.704 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000481175105 865924595 /nfs/dbraw/zinc/92/45/95/865924595.db2.gz LUVWNKCUOGXMCX-QTEQDKRBSA-N 2 2 391.559 3.855 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000481175105 865924609 /nfs/dbraw/zinc/92/46/09/865924609.db2.gz LUVWNKCUOGXMCX-QTEQDKRBSA-N 2 2 391.559 3.855 20 0 GHADLP c1ccc(C[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C2CC2)cc1 ZINC000481192490 865977772 /nfs/dbraw/zinc/97/77/72/865977772.db2.gz QDVJFUAFOWZRCS-QHCPKHFHSA-N 2 2 380.532 3.509 20 0 GHADLP C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)c2)C1 ZINC000857039716 881950175 /nfs/dbraw/zinc/95/01/75/881950175.db2.gz HLNUMWFMBWDBIW-FQEVSTJZSA-N 2 2 392.478 3.751 20 0 GHADLP C[N@H+]1CCC[C@H](c2cccc(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)c2)C1 ZINC000857039716 881950193 /nfs/dbraw/zinc/95/01/93/881950193.db2.gz HLNUMWFMBWDBIW-FQEVSTJZSA-N 2 2 392.478 3.751 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000655719937 866393165 /nfs/dbraw/zinc/39/31/65/866393165.db2.gz XPXUNGPHVPHZES-AWEZNQCLSA-N 2 2 388.313 3.566 20 0 GHADLP Brc1ccc2c(c1)C=C(C[NH2+]C1CC([NH+]3CCCCC3)C1)CO2 ZINC000475588005 866453619 /nfs/dbraw/zinc/45/36/19/866453619.db2.gz XGBVJMMQQWHDJL-UHFFFAOYSA-N 2 2 377.326 3.831 20 0 GHADLP CC1CCC(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000534357962 866595674 /nfs/dbraw/zinc/59/56/74/866595674.db2.gz DJNRCGGHRWUENW-IJZHQTRZSA-N 2 2 377.617 3.998 20 0 GHADLP CC1CCC(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000534357962 866595702 /nfs/dbraw/zinc/59/57/02/866595702.db2.gz DJNRCGGHRWUENW-IJZHQTRZSA-N 2 2 377.617 3.998 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133139304 881993596 /nfs/dbraw/zinc/99/35/96/881993596.db2.gz YGEJOPITOSBJLD-VXKWHMMOSA-N 2 2 399.485 3.736 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133139304 881993611 /nfs/dbraw/zinc/99/36/11/881993611.db2.gz YGEJOPITOSBJLD-VXKWHMMOSA-N 2 2 399.485 3.736 20 0 GHADLP CN(C(=O)c1cccc(F)c1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359522 866645618 /nfs/dbraw/zinc/64/56/18/866645618.db2.gz KAUAHVAPVFYLDW-RTBURBONSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1cccc(F)c1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359522 866645624 /nfs/dbraw/zinc/64/56/24/866645624.db2.gz KAUAHVAPVFYLDW-RTBURBONSA-N 2 2 395.950 3.888 20 0 GHADLP Cc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534361282 866645691 /nfs/dbraw/zinc/64/56/91/866645691.db2.gz XIUJCVJVJMOZGC-DHIUTWEWSA-N 2 2 385.596 3.723 20 0 GHADLP Cc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534361282 866645696 /nfs/dbraw/zinc/64/56/96/866645696.db2.gz XIUJCVJVJMOZGC-DHIUTWEWSA-N 2 2 385.596 3.723 20 0 GHADLP Cc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534361284 866646172 /nfs/dbraw/zinc/64/61/72/866646172.db2.gz XIUJCVJVJMOZGC-PKTZIBPZSA-N 2 2 385.596 3.723 20 0 GHADLP Cc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534361284 866646177 /nfs/dbraw/zinc/64/61/77/866646177.db2.gz XIUJCVJVJMOZGC-PKTZIBPZSA-N 2 2 385.596 3.723 20 0 GHADLP Cc1cc2ncn(C[C@H](O)C[NH2+][C@H](C)c3cccc(-n4cc[nH+]c4)c3)c2cc1C ZINC000189905308 882038466 /nfs/dbraw/zinc/03/84/66/882038466.db2.gz ILLJBTUSZOEFTP-WIYYLYMNSA-N 2 2 389.503 3.551 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccccc1 ZINC000742113139 867055377 /nfs/dbraw/zinc/05/53/77/867055377.db2.gz DULKXIJTKVCGDJ-QHCPKHFHSA-N 2 2 394.563 3.531 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccccc1 ZINC000742113139 867055395 /nfs/dbraw/zinc/05/53/95/867055395.db2.gz DULKXIJTKVCGDJ-QHCPKHFHSA-N 2 2 394.563 3.531 20 0 GHADLP O=C(NC1CC1)[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000620753031 867259557 /nfs/dbraw/zinc/25/95/57/867259557.db2.gz VOBGBQVEBBWAFB-NFBKMPQASA-N 2 2 377.532 3.508 20 0 GHADLP O=C(NC1CC1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000620753031 867259570 /nfs/dbraw/zinc/25/95/70/867259570.db2.gz VOBGBQVEBBWAFB-NFBKMPQASA-N 2 2 377.532 3.508 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000620754066 867262993 /nfs/dbraw/zinc/26/29/93/867262993.db2.gz TURNAXFMMGNBRV-MSOLQXFVSA-N 2 2 397.357 3.581 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000620754066 867263010 /nfs/dbraw/zinc/26/30/10/867263010.db2.gz TURNAXFMMGNBRV-MSOLQXFVSA-N 2 2 397.357 3.581 20 0 GHADLP C[C@H]1c2c(F)cccc2CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523449105 867332408 /nfs/dbraw/zinc/33/24/08/867332408.db2.gz XVENTWONENEERJ-SFHVURJKSA-N 2 2 395.522 3.657 20 0 GHADLP C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523449105 867332428 /nfs/dbraw/zinc/33/24/28/867332428.db2.gz XVENTWONENEERJ-SFHVURJKSA-N 2 2 395.522 3.657 20 0 GHADLP C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155016211 867710894 /nfs/dbraw/zinc/71/08/94/867710894.db2.gz WRDKXTWVHUTXGX-FDDCHVKYSA-N 2 2 394.494 3.736 20 0 GHADLP CCOc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000155186009 867793874 /nfs/dbraw/zinc/79/38/74/867793874.db2.gz HZHYSFNQLVUAGB-IBGZPJMESA-N 2 2 384.520 3.647 20 0 GHADLP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000479467115 867862254 /nfs/dbraw/zinc/86/22/54/867862254.db2.gz UUHPPWJRLQSJOH-UHFFFAOYSA-N 2 2 398.931 3.624 20 0 GHADLP Cc1cccc([C@H](C)C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535096490 868158820 /nfs/dbraw/zinc/15/88/20/868158820.db2.gz PANPHWSEKDUTSX-PMOQBDJRSA-N 2 2 385.596 3.894 20 0 GHADLP Cc1cccc([C@H](C)C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535096490 868158831 /nfs/dbraw/zinc/15/88/31/868158831.db2.gz PANPHWSEKDUTSX-PMOQBDJRSA-N 2 2 385.596 3.894 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000743402410 868168257 /nfs/dbraw/zinc/16/82/57/868168257.db2.gz IEYYKSDZIWIJHY-AUSIDOKSSA-N 2 2 392.547 3.797 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000743402410 868168272 /nfs/dbraw/zinc/16/82/72/868168272.db2.gz IEYYKSDZIWIJHY-AUSIDOKSSA-N 2 2 392.547 3.797 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1C ZINC000743574740 868282235 /nfs/dbraw/zinc/28/22/35/868282235.db2.gz XJHLJEYEHFBISQ-SFHVURJKSA-N 2 2 396.535 3.513 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1C ZINC000743574740 868282248 /nfs/dbraw/zinc/28/22/48/868282248.db2.gz XJHLJEYEHFBISQ-SFHVURJKSA-N 2 2 396.535 3.513 20 0 GHADLP Cc1c([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)nnn1-c1cccc(Cl)c1 ZINC000156214200 868290232 /nfs/dbraw/zinc/29/02/32/868290232.db2.gz SIRBKDPTQWUHET-HNNXBMFYSA-N 2 2 396.926 3.944 20 0 GHADLP CCCOc1ccc(Cl)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000157990992 868823364 /nfs/dbraw/zinc/82/33/64/868823364.db2.gz BJQSKCVOUOZDQO-UHFFFAOYSA-N 2 2 396.963 3.619 20 0 GHADLP CCCOc1ccc(Cl)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000157990992 868823372 /nfs/dbraw/zinc/82/33/72/868823372.db2.gz BJQSKCVOUOZDQO-UHFFFAOYSA-N 2 2 396.963 3.619 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000158355744 868927170 /nfs/dbraw/zinc/92/71/70/868927170.db2.gz PTPJDROOIZVLBK-GOSISDBHSA-N 2 2 383.561 3.863 20 0 GHADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000158442979 868949873 /nfs/dbraw/zinc/94/98/73/868949873.db2.gz YMGVDAMSSXGGBV-CQSZACIVSA-N 2 2 379.335 3.991 20 0 GHADLP Cc1c2cc(C)c(C)cc2sc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000446048286 869313694 /nfs/dbraw/zinc/31/36/94/869313694.db2.gz URQLWFWHMWMNKA-UHFFFAOYSA-N 2 2 387.593 3.925 20 0 GHADLP Cc1c2cc(C)c(C)cc2sc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000446048286 869313706 /nfs/dbraw/zinc/31/37/06/869313706.db2.gz URQLWFWHMWMNKA-UHFFFAOYSA-N 2 2 387.593 3.925 20 0 GHADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000524610092 869341362 /nfs/dbraw/zinc/34/13/62/869341362.db2.gz RGSGNYIHEUNJOQ-HXUWFJFHSA-N 2 2 375.601 3.898 20 0 GHADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000524610092 869341379 /nfs/dbraw/zinc/34/13/79/869341379.db2.gz RGSGNYIHEUNJOQ-HXUWFJFHSA-N 2 2 375.601 3.898 20 0 GHADLP Cc1cccc(NC(=O)C[C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000539690198 869611934 /nfs/dbraw/zinc/61/19/34/869611934.db2.gz URJVXZWTBNFRTR-SFHVURJKSA-N 2 2 395.551 3.750 20 0 GHADLP COc1ccc(F)cc1C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000462781428 870058536 /nfs/dbraw/zinc/05/85/36/870058536.db2.gz UWIHJMNXBICEOB-HNNXBMFYSA-N 2 2 375.463 3.576 20 0 GHADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000248040131 870267945 /nfs/dbraw/zinc/26/79/45/870267945.db2.gz SPEHEGYINUTNKH-HYBUGGRVSA-N 3 2 380.580 3.924 20 0 GHADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000248040131 870267960 /nfs/dbraw/zinc/26/79/60/870267960.db2.gz SPEHEGYINUTNKH-HYBUGGRVSA-N 3 2 380.580 3.924 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000248389768 870360016 /nfs/dbraw/zinc/36/00/16/870360016.db2.gz BGKYNVIDUXLOCZ-BRLLKYFNSA-N 2 2 387.474 3.650 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000248389768 870360115 /nfs/dbraw/zinc/36/01/15/870360115.db2.gz BGKYNVIDUXLOCZ-BRLLKYFNSA-N 2 2 387.474 3.650 20 0 GHADLP c1nnc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1-c1ccccc1 ZINC000248396442 870368028 /nfs/dbraw/zinc/36/80/28/870368028.db2.gz GZLCHSWCKXWDNT-ACIOBRDBSA-N 2 2 387.531 3.658 20 0 GHADLP c1nnc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1-c1ccccc1 ZINC000248396442 870368057 /nfs/dbraw/zinc/36/80/57/870368057.db2.gz GZLCHSWCKXWDNT-ACIOBRDBSA-N 2 2 387.531 3.658 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000248628720 870557284 /nfs/dbraw/zinc/55/72/84/870557284.db2.gz GBKWIGIQXLMKQM-VGOFRKELSA-N 2 2 380.511 3.755 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000248628720 870557297 /nfs/dbraw/zinc/55/72/97/870557297.db2.gz GBKWIGIQXLMKQM-VGOFRKELSA-N 2 2 380.511 3.755 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000249470569 870840514 /nfs/dbraw/zinc/84/05/14/870840514.db2.gz UHTDVSGSWJCWKL-IPJJNNNSSA-N 2 2 397.563 3.893 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000249470569 870840521 /nfs/dbraw/zinc/84/05/21/870840521.db2.gz UHTDVSGSWJCWKL-IPJJNNNSSA-N 2 2 397.563 3.893 20 0 GHADLP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2cc(C(C)(C)C)no2)CC1)CC1CC1 ZINC000538949618 870959098 /nfs/dbraw/zinc/95/90/98/870959098.db2.gz SFEUWXKDOFKTBF-UHFFFAOYSA-N 2 2 390.572 3.745 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2cc(C(C)(C)C)no2)CC1)CC1CC1 ZINC000538949618 870959109 /nfs/dbraw/zinc/95/91/09/870959109.db2.gz SFEUWXKDOFKTBF-UHFFFAOYSA-N 2 2 390.572 3.745 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463134448 870979554 /nfs/dbraw/zinc/97/95/54/870979554.db2.gz ZLQKGKYZVYNSMD-OFVILXPXSA-N 2 2 393.575 3.662 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463134448 870979557 /nfs/dbraw/zinc/97/95/57/870979557.db2.gz ZLQKGKYZVYNSMD-OFVILXPXSA-N 2 2 393.575 3.662 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463134448 870979564 /nfs/dbraw/zinc/97/95/64/870979564.db2.gz ZLQKGKYZVYNSMD-OFVILXPXSA-N 3 2 393.575 3.662 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463134448 870979571 /nfs/dbraw/zinc/97/95/71/870979571.db2.gz ZLQKGKYZVYNSMD-OFVILXPXSA-N 3 2 393.575 3.662 20 0 GHADLP Fc1ccc(CC[NH+]2CCC(NCCC[N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000463139098 870992365 /nfs/dbraw/zinc/99/23/65/870992365.db2.gz ZMJFUHRMYJYKAR-UHFFFAOYSA-N 2 2 395.566 3.871 20 0 GHADLP Fc1ccc(CC[NH+]2CCC(NCCC[N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000463139098 870992381 /nfs/dbraw/zinc/99/23/81/870992381.db2.gz ZMJFUHRMYJYKAR-UHFFFAOYSA-N 2 2 395.566 3.871 20 0 GHADLP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2cc(F)ccc2F)CC1)CC(C)C ZINC000539099550 871312619 /nfs/dbraw/zinc/31/26/19/871312619.db2.gz GRXFISCBEQCODI-UHFFFAOYSA-N 2 2 381.511 3.983 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2cc(F)ccc2F)CC1)CC(C)C ZINC000539099550 871312639 /nfs/dbraw/zinc/31/26/39/871312639.db2.gz GRXFISCBEQCODI-UHFFFAOYSA-N 2 2 381.511 3.983 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000539164132 871426689 /nfs/dbraw/zinc/42/66/89/871426689.db2.gz MPPOAQAJAJQKLA-INIZCTEOSA-N 2 2 398.938 3.910 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000462108868 871628435 /nfs/dbraw/zinc/62/84/35/871628435.db2.gz BWJPNPHOTUOLMF-QFIPXVFZSA-N 2 2 396.510 3.617 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103311123 871672902 /nfs/dbraw/zinc/67/29/02/871672902.db2.gz ASQXMLHGPIKGQB-OAQYLSRUSA-N 2 2 395.551 3.670 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C2 ZINC000525979547 871850533 /nfs/dbraw/zinc/85/05/33/871850533.db2.gz ZHIVDIVLPJTFFW-YJBOKZPZSA-N 2 2 386.565 3.653 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C(F)(F)F)ccc3Cl)C2)CC1 ZINC000552092176 871997745 /nfs/dbraw/zinc/99/77/45/871997745.db2.gz NTIXAGFKDXNEOF-KRWDZBQOSA-N 2 2 389.893 3.959 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C(F)(F)F)ccc3Cl)C2)CC1 ZINC000552092176 871997757 /nfs/dbraw/zinc/99/77/57/871997757.db2.gz NTIXAGFKDXNEOF-KRWDZBQOSA-N 2 2 389.893 3.959 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c(C)c1 ZINC000775627054 872084704 /nfs/dbraw/zinc/08/47/04/872084704.db2.gz FZOONNUHWCYNKP-ICSRJNTNSA-N 2 2 384.524 3.840 20 0 GHADLP O=C(Oc1ccccc1)N1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000101567228 872105320 /nfs/dbraw/zinc/10/53/20/872105320.db2.gz XENYXLBLMDAIRX-UHFFFAOYSA-N 2 2 376.460 3.579 20 0 GHADLP O=C(Oc1ccccc1)N1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000101567228 872105328 /nfs/dbraw/zinc/10/53/28/872105328.db2.gz XENYXLBLMDAIRX-UHFFFAOYSA-N 2 2 376.460 3.579 20 0 GHADLP Cc1cc2ncc([C@H](C)[NH2+]C3CC[NH+](Cc4ccccc4C)CC3)c(C)n2n1 ZINC000093399039 872149751 /nfs/dbraw/zinc/14/97/51/872149751.db2.gz IIQCKAHXYVGTAN-SFHVURJKSA-N 2 2 377.536 3.970 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2OCc2cccnc2)C[C@H]1C ZINC000447724105 872211995 /nfs/dbraw/zinc/21/19/95/872211995.db2.gz TXOOZLRKUNDHNY-WIYYLYMNSA-N 2 2 383.536 3.974 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2OCc2cccnc2)C[C@H]1C ZINC000447724105 872212010 /nfs/dbraw/zinc/21/20/10/872212010.db2.gz TXOOZLRKUNDHNY-WIYYLYMNSA-N 2 2 383.536 3.974 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)cc2OCc2cccnc2)C[C@H]1C ZINC000447724105 872212028 /nfs/dbraw/zinc/21/20/28/872212028.db2.gz TXOOZLRKUNDHNY-WIYYLYMNSA-N 2 2 383.536 3.974 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)cc2OCc2cccnc2)C[C@H]1C ZINC000447724105 872212044 /nfs/dbraw/zinc/21/20/44/872212044.db2.gz TXOOZLRKUNDHNY-WIYYLYMNSA-N 2 2 383.536 3.974 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2OCc2cccnc2)C[C@H]1C ZINC000447724103 872212717 /nfs/dbraw/zinc/21/27/17/872212717.db2.gz TXOOZLRKUNDHNY-NQIIRXRSSA-N 2 2 383.536 3.974 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2OCc2cccnc2)C[C@H]1C ZINC000447724103 872212735 /nfs/dbraw/zinc/21/27/35/872212735.db2.gz TXOOZLRKUNDHNY-NQIIRXRSSA-N 2 2 383.536 3.974 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)cc2OCc2cccnc2)C[C@H]1C ZINC000447724103 872212756 /nfs/dbraw/zinc/21/27/56/872212756.db2.gz TXOOZLRKUNDHNY-NQIIRXRSSA-N 2 2 383.536 3.974 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)cc2OCc2cccnc2)C[C@H]1C ZINC000447724103 872212774 /nfs/dbraw/zinc/21/27/74/872212774.db2.gz TXOOZLRKUNDHNY-NQIIRXRSSA-N 2 2 383.536 3.974 20 0 GHADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(OCc2cccnc2)c1 ZINC000447735076 872221416 /nfs/dbraw/zinc/22/14/16/872221416.db2.gz BINCAKORPXLBIT-IBGZPJMESA-N 2 2 378.476 3.772 20 0 GHADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(OCc2cccnc2)c1 ZINC000447735076 872221433 /nfs/dbraw/zinc/22/14/33/872221433.db2.gz BINCAKORPXLBIT-IBGZPJMESA-N 2 2 378.476 3.772 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000447736526 872225187 /nfs/dbraw/zinc/22/51/87/872225187.db2.gz NDUKUYQNKQOORJ-QZTJIDSGSA-N 2 2 381.967 3.902 20 0 GHADLP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3)C2)[C@H]2CCC[C@H]21 ZINC000552248338 872266822 /nfs/dbraw/zinc/26/68/22/872266822.db2.gz DBCZTOIWWDMORG-YSTOQKLRSA-N 2 2 381.486 3.742 20 0 GHADLP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3)C2)[C@H]2CCC[C@H]21 ZINC000552248338 872266841 /nfs/dbraw/zinc/26/68/41/872266841.db2.gz DBCZTOIWWDMORG-YSTOQKLRSA-N 2 2 381.486 3.742 20 0 GHADLP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)[C@H]2CCC[C@H]21 ZINC000552248338 872266853 /nfs/dbraw/zinc/26/68/53/872266853.db2.gz DBCZTOIWWDMORG-YSTOQKLRSA-N 2 2 381.486 3.742 20 0 GHADLP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)[C@H]2CCC[C@H]21 ZINC000552248338 872266867 /nfs/dbraw/zinc/26/68/67/872266867.db2.gz DBCZTOIWWDMORG-YSTOQKLRSA-N 2 2 381.486 3.742 20 0 GHADLP CC[N@@H+](Cc1ccccc1N1CCOCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564716 872275382 /nfs/dbraw/zinc/27/53/82/872275382.db2.gz VCXNSQYGEHTZJP-UHFFFAOYSA-N 2 2 394.563 3.657 20 0 GHADLP CC[N@H+](Cc1ccccc1N1CCOCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564716 872275399 /nfs/dbraw/zinc/27/53/99/872275399.db2.gz VCXNSQYGEHTZJP-UHFFFAOYSA-N 2 2 394.563 3.657 20 0 GHADLP C[C@@H](NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C(C)(C)C[NH+](C)C ZINC000463699464 872364129 /nfs/dbraw/zinc/36/41/29/872364129.db2.gz QKICQBNAXIKOHK-MRXNPFEDSA-N 2 2 383.540 3.984 20 0 GHADLP CC(C)CN(CC[NH+](C)C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463707358 872409453 /nfs/dbraw/zinc/40/94/53/872409453.db2.gz PWSIQXGJFJELIR-UHFFFAOYSA-N 2 2 383.540 3.938 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000527012953 872467888 /nfs/dbraw/zinc/46/78/88/872467888.db2.gz GXWVQHTUWONHLM-DFQSSKMNSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000527012953 872467899 /nfs/dbraw/zinc/46/78/99/872467899.db2.gz GXWVQHTUWONHLM-DFQSSKMNSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000527012953 872467904 /nfs/dbraw/zinc/46/79/04/872467904.db2.gz GXWVQHTUWONHLM-DFQSSKMNSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000527012953 872467914 /nfs/dbraw/zinc/46/79/14/872467914.db2.gz GXWVQHTUWONHLM-DFQSSKMNSA-N 2 2 394.563 3.665 20 0 GHADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccco1 ZINC000478231386 872696251 /nfs/dbraw/zinc/69/62/51/872696251.db2.gz KORZGAFBJRAWFC-HKUYNNGSSA-N 2 2 399.539 3.594 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)Cn1ncc2cc(OCc3ccccc3)ccc21 ZINC000767760510 872816427 /nfs/dbraw/zinc/81/64/27/872816427.db2.gz YQWMHVWWDHASLZ-UHFFFAOYSA-N 2 2 375.476 3.791 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)Cn1ncc2cc(OCc3ccccc3)ccc21 ZINC000767760510 872816448 /nfs/dbraw/zinc/81/64/48/872816448.db2.gz YQWMHVWWDHASLZ-UHFFFAOYSA-N 2 2 375.476 3.791 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000448120802 872879778 /nfs/dbraw/zinc/87/97/78/872879778.db2.gz BEBHXZVEDRREPY-URXFXBBRSA-N 2 2 393.575 3.878 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000448120802 872879788 /nfs/dbraw/zinc/87/97/88/872879788.db2.gz BEBHXZVEDRREPY-URXFXBBRSA-N 2 2 393.575 3.878 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000448120802 872879799 /nfs/dbraw/zinc/87/97/99/872879799.db2.gz BEBHXZVEDRREPY-URXFXBBRSA-N 2 2 393.575 3.878 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000448120802 872879810 /nfs/dbraw/zinc/87/98/10/872879810.db2.gz BEBHXZVEDRREPY-URXFXBBRSA-N 2 2 393.575 3.878 20 0 GHADLP Cc1ccc([C@H](CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[NH+](C)C)cc1 ZINC000541184349 873109802 /nfs/dbraw/zinc/10/98/02/873109802.db2.gz YFLSXUACYSQOHQ-QFIPXVFZSA-N 2 2 397.567 3.696 20 0 GHADLP C[C@@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000541186375 873113195 /nfs/dbraw/zinc/11/31/95/873113195.db2.gz ZGBYZZNXRIIVTQ-FQEVSTJZSA-N 2 2 397.567 3.605 20 0 GHADLP C[C@@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000541186375 873113205 /nfs/dbraw/zinc/11/32/05/873113205.db2.gz ZGBYZZNXRIIVTQ-FQEVSTJZSA-N 2 2 397.567 3.605 20 0 GHADLP COc1ccc(-c2nnc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)o2)cc1 ZINC000541201065 873124928 /nfs/dbraw/zinc/12/49/28/873124928.db2.gz KCEDZGFXCZCTBA-UHFFFAOYSA-N 2 2 381.480 3.634 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)cs2)cn1 ZINC000527669821 873431463 /nfs/dbraw/zinc/43/14/63/873431463.db2.gz ZFZBZEVTCLBNPW-KDOFPFPSSA-N 2 2 387.578 3.778 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)cs2)cn1 ZINC000527669821 873431475 /nfs/dbraw/zinc/43/14/75/873431475.db2.gz ZFZBZEVTCLBNPW-KDOFPFPSSA-N 2 2 387.578 3.778 20 0 GHADLP CCN(C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1)CC(F)(F)F ZINC000192055386 882728477 /nfs/dbraw/zinc/72/84/77/882728477.db2.gz ANUZWYHKRAERMR-KRWDZBQOSA-N 2 2 380.458 3.887 20 0 GHADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1)CC(F)(F)F ZINC000192055386 882728485 /nfs/dbraw/zinc/72/84/85/882728485.db2.gz ANUZWYHKRAERMR-KRWDZBQOSA-N 2 2 380.458 3.887 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527843200 873666375 /nfs/dbraw/zinc/66/63/75/873666375.db2.gz BBPMINIYGHBQNR-LJQANCHMSA-N 2 2 390.531 3.770 20 0 GHADLP CC[C@H](NC(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)c1ccc(Cl)cc1 ZINC001197368169 873776596 /nfs/dbraw/zinc/77/65/96/873776596.db2.gz DTXNCHYKEGYILH-UZLBHIALSA-N 2 2 386.927 3.513 20 0 GHADLP CC[C@H](NC(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)c1ccc(Cl)cc1 ZINC001197368169 873776606 /nfs/dbraw/zinc/77/66/06/873776606.db2.gz DTXNCHYKEGYILH-UZLBHIALSA-N 2 2 386.927 3.513 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3c(C)cc(Br)cn23)C[C@H]1C ZINC000541535010 873821918 /nfs/dbraw/zinc/82/19/18/873821918.db2.gz KIBJEZGTMMDVCC-ZBFHGGJFSA-N 2 2 379.346 3.710 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3c(C)cc(Br)cn23)C[C@H]1C ZINC000541535010 873821931 /nfs/dbraw/zinc/82/19/31/873821931.db2.gz KIBJEZGTMMDVCC-ZBFHGGJFSA-N 2 2 379.346 3.710 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc3c(C)cc(Br)cn23)C[C@H]1C ZINC000541535010 873821944 /nfs/dbraw/zinc/82/19/44/873821944.db2.gz KIBJEZGTMMDVCC-ZBFHGGJFSA-N 2 2 379.346 3.710 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc3c(C)cc(Br)cn23)C[C@H]1C ZINC000541535010 873821959 /nfs/dbraw/zinc/82/19/59/873821959.db2.gz KIBJEZGTMMDVCC-ZBFHGGJFSA-N 2 2 379.346 3.710 20 0 GHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](CO)c1cccc(Br)c1 ZINC000541536651 873827804 /nfs/dbraw/zinc/82/78/04/873827804.db2.gz HBLVRXSDWUOBLL-QGZVFWFLSA-N 2 2 392.322 3.862 20 0 GHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](CO)c1cccc(Br)c1 ZINC000541536651 873827817 /nfs/dbraw/zinc/82/78/17/873827817.db2.gz HBLVRXSDWUOBLL-QGZVFWFLSA-N 2 2 392.322 3.862 20 0 GHADLP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000541571064 873883566 /nfs/dbraw/zinc/88/35/66/873883566.db2.gz MMPGPIQYBBLDNP-VWNXMTODSA-N 2 2 391.490 3.667 20 0 GHADLP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000541571064 873883583 /nfs/dbraw/zinc/88/35/83/873883583.db2.gz MMPGPIQYBBLDNP-VWNXMTODSA-N 2 2 391.490 3.667 20 0 GHADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1nc2cc(Br)ccc2o1 ZINC001197928908 874117204 /nfs/dbraw/zinc/11/72/04/874117204.db2.gz ABMZUDYKOVSMFY-ZDUSSCGKSA-N 2 2 387.281 3.696 20 0 GHADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1nc2cc(Br)ccc2o1 ZINC001197928908 874117213 /nfs/dbraw/zinc/11/72/13/874117213.db2.gz ABMZUDYKOVSMFY-ZDUSSCGKSA-N 2 2 387.281 3.696 20 0 GHADLP Cc1cc2c(cccc2NC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)nn1 ZINC001198022613 874185402 /nfs/dbraw/zinc/18/54/02/874185402.db2.gz XHWGQGKWOYYMRS-UHFFFAOYSA-N 2 2 391.519 3.574 20 0 GHADLP Cc1cc2c(cccc2NC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)nn1 ZINC001198022613 874185408 /nfs/dbraw/zinc/18/54/08/874185408.db2.gz XHWGQGKWOYYMRS-UHFFFAOYSA-N 2 2 391.519 3.574 20 0 GHADLP O=C(C[N@@H+]1CCCC2(C1)CCCCCC2)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000464760045 874441606 /nfs/dbraw/zinc/44/16/06/874441606.db2.gz BIYICVOLAAZCKA-UHFFFAOYSA-N 2 2 399.579 3.894 20 0 GHADLP O=C(C[N@H+]1CCCC2(C1)CCCCCC2)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000464760045 874441612 /nfs/dbraw/zinc/44/16/12/874441612.db2.gz BIYICVOLAAZCKA-UHFFFAOYSA-N 2 2 399.579 3.894 20 0 GHADLP CC(C)[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Cl)cc1F ZINC000541913743 874514425 /nfs/dbraw/zinc/51/44/25/874514425.db2.gz WNWFTYNXYOFKIW-MOPGFXCFSA-N 2 2 383.939 3.709 20 0 GHADLP CC(C)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Cl)cc1F ZINC000541913743 874514439 /nfs/dbraw/zinc/51/44/39/874514439.db2.gz WNWFTYNXYOFKIW-MOPGFXCFSA-N 2 2 383.939 3.709 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000528398179 874515291 /nfs/dbraw/zinc/51/52/91/874515291.db2.gz UBOZGILCLNCAOR-BHDDXSALSA-N 2 2 394.563 3.910 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000528398179 874515293 /nfs/dbraw/zinc/51/52/93/874515293.db2.gz UBOZGILCLNCAOR-BHDDXSALSA-N 2 2 394.563 3.910 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000449167582 874563498 /nfs/dbraw/zinc/56/34/98/874563498.db2.gz KLSXOOOPIPQQBZ-IAGOWNOFSA-N 2 2 383.517 3.730 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCc4cc(F)c(F)c(F)c43)[nH+]c2)C1 ZINC000449207113 874586796 /nfs/dbraw/zinc/58/67/96/874586796.db2.gz MUDFHJJVWLATHM-HOCLYGCPSA-N 2 2 376.426 3.739 20 0 GHADLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000464846715 874629151 /nfs/dbraw/zinc/62/91/51/874629151.db2.gz SVWYQHVNZTXAPU-JTHBVZDNSA-N 2 2 377.532 3.636 20 0 GHADLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000464846715 874629156 /nfs/dbraw/zinc/62/91/56/874629156.db2.gz SVWYQHVNZTXAPU-JTHBVZDNSA-N 2 2 377.532 3.636 20 0 GHADLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000464846715 874629159 /nfs/dbraw/zinc/62/91/59/874629159.db2.gz SVWYQHVNZTXAPU-JTHBVZDNSA-N 2 2 377.532 3.636 20 0 GHADLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000464846715 874629165 /nfs/dbraw/zinc/62/91/65/874629165.db2.gz SVWYQHVNZTXAPU-JTHBVZDNSA-N 2 2 377.532 3.636 20 0 GHADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC001198900139 874682684 /nfs/dbraw/zinc/68/26/84/874682684.db2.gz GGCOGKLSWFPGSB-HSZRJFAPSA-N 2 2 386.511 3.851 20 0 GHADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC001198900139 874682690 /nfs/dbraw/zinc/68/26/90/874682690.db2.gz GGCOGKLSWFPGSB-HSZRJFAPSA-N 2 2 386.511 3.851 20 0 GHADLP C[C@H](Cc1ccccc1)[NH+]1CCC(Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000449317403 874724646 /nfs/dbraw/zinc/72/46/46/874724646.db2.gz BUXUIRWKKJJMHQ-LJQANCHMSA-N 2 2 375.520 3.834 20 0 GHADLP Cc1[nH+]ccn1CC[NH2+]Cc1c(F)ccc(C(F)(F)F)c1Br ZINC000858117214 882859067 /nfs/dbraw/zinc/85/90/67/882859067.db2.gz FHYZGDQLJHJTGL-UHFFFAOYSA-N 2 2 380.183 3.902 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cn2c(=O)sc3c2CCCC3)CC1)CC1CC1 ZINC000770688111 874836773 /nfs/dbraw/zinc/83/67/73/874836773.db2.gz VCRUHBWKGHAXFD-UHFFFAOYSA-N 2 2 377.598 3.580 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cn2c(=O)sc3c2CCCC3)CC1)CC1CC1 ZINC000770688111 874836785 /nfs/dbraw/zinc/83/67/85/874836785.db2.gz VCRUHBWKGHAXFD-UHFFFAOYSA-N 2 2 377.598 3.580 20 0 GHADLP CC[NH+]1CCN(Cc2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc2)CC1 ZINC001199328801 874928609 /nfs/dbraw/zinc/92/86/09/874928609.db2.gz JIRNSHXHQOKZET-UHFFFAOYSA-N 3 2 398.639 3.711 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3cc4c(ccc(C)c4C)[nH]3)C2)CC1 ZINC000449497931 874954202 /nfs/dbraw/zinc/95/42/02/874954202.db2.gz KUOJLYWOTDHATA-OAQYLSRUSA-N 2 2 396.579 3.551 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3cc4c(ccc(C)c4C)[nH]3)C2)CC1 ZINC000449497931 874954206 /nfs/dbraw/zinc/95/42/06/874954206.db2.gz KUOJLYWOTDHATA-OAQYLSRUSA-N 2 2 396.579 3.551 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3cc4c(ccc(C)c4C)[nH]3)C2)CC1 ZINC000449497931 874954211 /nfs/dbraw/zinc/95/42/11/874954211.db2.gz KUOJLYWOTDHATA-OAQYLSRUSA-N 2 2 396.579 3.551 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3cc4c(ccc(C)c4C)[nH]3)C2)CC1 ZINC000449497931 874954217 /nfs/dbraw/zinc/95/42/17/874954217.db2.gz KUOJLYWOTDHATA-OAQYLSRUSA-N 2 2 396.579 3.551 20 0 GHADLP O=C(NCCCCC[NH+]1CCCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542115310 874965473 /nfs/dbraw/zinc/96/54/73/874965473.db2.gz CXSCEFXFOWTASB-UHFFFAOYSA-N 2 2 389.588 3.741 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3c(C)cc(Cl)cc3C)C2)CC1 ZINC000449507515 874972222 /nfs/dbraw/zinc/97/22/22/874972222.db2.gz TWMSAUQCORTYQT-FQEVSTJZSA-N 2 2 391.987 3.723 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3c(C)cc(Cl)cc3C)C2)CC1 ZINC000449507515 874972233 /nfs/dbraw/zinc/97/22/33/874972233.db2.gz TWMSAUQCORTYQT-FQEVSTJZSA-N 2 2 391.987 3.723 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3c(C)cc(Cl)cc3C)C2)CC1 ZINC000449507515 874972243 /nfs/dbraw/zinc/97/22/43/874972243.db2.gz TWMSAUQCORTYQT-FQEVSTJZSA-N 2 2 391.987 3.723 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3c(C)cc(Cl)cc3C)C2)CC1 ZINC000449507515 874972256 /nfs/dbraw/zinc/97/22/56/874972256.db2.gz TWMSAUQCORTYQT-FQEVSTJZSA-N 2 2 391.987 3.723 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cnc(C(C)C)s3)CC2)cc1 ZINC000449519682 874990253 /nfs/dbraw/zinc/99/02/53/874990253.db2.gz CFPCQJUDWVNQIY-UHFFFAOYSA-N 2 2 386.565 3.979 20 0 GHADLP COc1ccc(NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1Cl ZINC000542132420 875030915 /nfs/dbraw/zinc/03/09/15/875030915.db2.gz AUIZZWCUSOOZBP-UHFFFAOYSA-N 2 2 390.915 3.676 20 0 GHADLP O=C1[C@@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCCN1c1cccc(F)c1 ZINC000542132231 875031226 /nfs/dbraw/zinc/03/12/26/875031226.db2.gz QARCXRQIBXFISW-NRFANRHFSA-N 2 2 384.499 3.710 20 0 GHADLP COCO[C@H](C)c1cc(F)c(C[NH2+]C[C@H](C)C[NH+](C)C)cc1Br ZINC000858166799 882904953 /nfs/dbraw/zinc/90/49/53/882904953.db2.gz ARGKRPFWEUXNEA-QWHCGFSZSA-N 2 2 391.325 3.557 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc(C2CC2)cs1 ZINC000542277011 875284730 /nfs/dbraw/zinc/28/47/30/875284730.db2.gz GZJCMSCJNOFWQH-UHFFFAOYSA-N 3 2 376.614 3.649 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc(C2CC2)cs1 ZINC000542277011 875284745 /nfs/dbraw/zinc/28/47/45/875284745.db2.gz GZJCMSCJNOFWQH-UHFFFAOYSA-N 3 2 376.614 3.649 20 0 GHADLP COc1cc(Br)c(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000371068247 875351225 /nfs/dbraw/zinc/35/12/25/875351225.db2.gz FOYULLXMMHJRDX-CYBMUJFWSA-N 2 2 394.313 3.638 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178635761 882928250 /nfs/dbraw/zinc/92/82/50/882928250.db2.gz MJQCYGPULDQXSI-OFVILXPXSA-N 3 2 392.591 3.794 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178635761 882928256 /nfs/dbraw/zinc/92/82/56/882928256.db2.gz MJQCYGPULDQXSI-OFVILXPXSA-N 3 2 392.591 3.794 20 0 GHADLP C[C@H](c1cccc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c1)[NH+]1CCOCC1 ZINC000449846240 875510006 /nfs/dbraw/zinc/51/00/06/875510006.db2.gz WTVWLSAGCMBKRM-XMSQKQJNSA-N 2 2 385.552 3.815 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(F)cc3C(F)(F)F)[nH+]c2)C1 ZINC001201536459 875734293 /nfs/dbraw/zinc/73/42/93/875734293.db2.gz SIOBVLLYHQBCKP-MRXNPFEDSA-N 2 2 382.405 3.992 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000491960845 876053649 /nfs/dbraw/zinc/05/36/49/876053649.db2.gz RKOPTZZTWSSFDN-HXUWFJFHSA-N 2 2 392.507 3.531 20 0 GHADLP CC[C@@H](C)[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000303956454 876123379 /nfs/dbraw/zinc/12/33/79/876123379.db2.gz KPUWASCURUHUST-IRLDBZIGSA-N 2 2 385.596 3.883 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccsc1 ZINC000492079277 876219129 /nfs/dbraw/zinc/21/91/29/876219129.db2.gz KHPLDDODMQDRMM-GOSISDBHSA-N 2 2 398.536 3.593 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(C)c(C(F)(F)F)c3)CC2)CC1 ZINC000529498587 876220872 /nfs/dbraw/zinc/22/08/72/876220872.db2.gz MBBYKBMXUCXOAI-UHFFFAOYSA-N 2 2 397.485 3.646 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(C)c(C(F)(F)F)c3)CC2)CC1 ZINC000529498587 876220881 /nfs/dbraw/zinc/22/08/81/876220881.db2.gz MBBYKBMXUCXOAI-UHFFFAOYSA-N 2 2 397.485 3.646 20 0 GHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529527613 876264206 /nfs/dbraw/zinc/26/42/06/876264206.db2.gz ADNOZKDFJYBWMU-GFCCVEGCSA-N 2 2 383.359 3.674 20 0 GHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529527613 876264227 /nfs/dbraw/zinc/26/42/27/876264227.db2.gz ADNOZKDFJYBWMU-GFCCVEGCSA-N 2 2 383.359 3.674 20 0 GHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529527613 876264233 /nfs/dbraw/zinc/26/42/33/876264233.db2.gz ADNOZKDFJYBWMU-GFCCVEGCSA-N 2 2 383.359 3.674 20 0 GHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529527613 876264245 /nfs/dbraw/zinc/26/42/45/876264245.db2.gz ADNOZKDFJYBWMU-GFCCVEGCSA-N 2 2 383.359 3.674 20 0 GHADLP FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000450323476 876285168 /nfs/dbraw/zinc/28/51/68/876285168.db2.gz IFPKWLZRTMJNDK-VQTJNVASSA-N 2 2 392.538 3.741 20 0 GHADLP FC1(F)CCCC[C@@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000450323476 876285181 /nfs/dbraw/zinc/28/51/81/876285181.db2.gz IFPKWLZRTMJNDK-VQTJNVASSA-N 2 2 392.538 3.741 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)CC[C@H]21 ZINC000529535901 876304353 /nfs/dbraw/zinc/30/43/53/876304353.db2.gz IMNYYJVODKMKNC-TZMCWYRMSA-N 2 2 395.370 3.817 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)CC[C@H]21 ZINC000529535901 876304368 /nfs/dbraw/zinc/30/43/68/876304368.db2.gz IMNYYJVODKMKNC-TZMCWYRMSA-N 2 2 395.370 3.817 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(Br)s3)CC[C@H]21 ZINC000529535901 876304385 /nfs/dbraw/zinc/30/43/85/876304385.db2.gz IMNYYJVODKMKNC-TZMCWYRMSA-N 2 2 395.370 3.817 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(Br)s3)CC[C@H]21 ZINC000529535901 876304402 /nfs/dbraw/zinc/30/44/02/876304402.db2.gz IMNYYJVODKMKNC-TZMCWYRMSA-N 2 2 395.370 3.817 20 0 GHADLP Cc1ccc(C)c([C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc2)c1 ZINC000492193506 876405426 /nfs/dbraw/zinc/40/54/26/876405426.db2.gz AIWCYHCSZZKXSZ-RUZDIDTESA-N 2 2 393.575 3.925 20 0 GHADLP Oc1ccc(Br)c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192924166 883048060 /nfs/dbraw/zinc/04/80/60/883048060.db2.gz FBNXYEHGRKEFIQ-INIZCTEOSA-N 2 2 375.310 3.766 20 0 GHADLP Oc1ccc(Br)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192924166 883048081 /nfs/dbraw/zinc/04/80/81/883048081.db2.gz FBNXYEHGRKEFIQ-INIZCTEOSA-N 2 2 375.310 3.766 20 0 GHADLP CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+]CCCCn3cc[nH+]c3)cc2C1 ZINC000850063718 876636370 /nfs/dbraw/zinc/63/63/70/876636370.db2.gz UBOCZZKSERLYRR-UHFFFAOYSA-N 2 2 384.524 3.746 20 0 GHADLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)cc1Cl ZINC000173928629 876728477 /nfs/dbraw/zinc/72/84/77/876728477.db2.gz WKGBLHZZRAVKJZ-AWEZNQCLSA-N 2 2 379.335 3.991 20 0 GHADLP CC[N@@H+](CC(=O)Nc1ccc(F)cc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972483 876752470 /nfs/dbraw/zinc/75/24/70/876752470.db2.gz XHARRJRAYWTWMS-UHFFFAOYSA-N 2 2 388.462 3.537 20 0 GHADLP CC[N@H+](CC(=O)Nc1ccc(F)cc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972483 876752474 /nfs/dbraw/zinc/75/24/74/876752474.db2.gz XHARRJRAYWTWMS-UHFFFAOYSA-N 2 2 388.462 3.537 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)C1 ZINC000180139343 883062298 /nfs/dbraw/zinc/06/22/98/883062298.db2.gz DWKOSKTWIAFNMT-IAYUKTFISA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)C1 ZINC000180139343 883062317 /nfs/dbraw/zinc/06/23/17/883062317.db2.gz DWKOSKTWIAFNMT-IAYUKTFISA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000180139343 883062335 /nfs/dbraw/zinc/06/23/35/883062335.db2.gz DWKOSKTWIAFNMT-IAYUKTFISA-N 3 2 399.623 3.909 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000180139343 883062356 /nfs/dbraw/zinc/06/23/56/883062356.db2.gz DWKOSKTWIAFNMT-IAYUKTFISA-N 3 2 399.623 3.909 20 0 GHADLP Clc1cc(C[NH+]2CCOCC3(CC3)C2)cc(C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000450719738 876781234 /nfs/dbraw/zinc/78/12/34/876781234.db2.gz RHBFHBAIFKDOLF-UHFFFAOYSA-N 2 2 390.955 3.565 20 0 GHADLP Clc1cc(C[NH+]2CCOCC3(CC3)C2)cc(C[N@H+]2CCOCC3(CC3)C2)c1 ZINC000450719738 876781240 /nfs/dbraw/zinc/78/12/40/876781240.db2.gz RHBFHBAIFKDOLF-UHFFFAOYSA-N 2 2 390.955 3.565 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000786777935 876931248 /nfs/dbraw/zinc/93/12/48/876931248.db2.gz BKHXFJNVNSAGRW-IRXDYDNUSA-N 2 2 375.476 3.814 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1cccc2ccccc21 ZINC000850516942 876988864 /nfs/dbraw/zinc/98/88/64/876988864.db2.gz PLGLDBNTTQYBEO-DQMJNTIXSA-N 2 2 375.516 3.768 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1cccc2ccccc21 ZINC000850516942 876988871 /nfs/dbraw/zinc/98/88/71/876988871.db2.gz PLGLDBNTTQYBEO-DQMJNTIXSA-N 2 2 375.516 3.768 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C[N@H+](Cc2ccccc2)C1 ZINC000136436415 877208117 /nfs/dbraw/zinc/20/81/17/877208117.db2.gz GNXBUBSNRARXNE-GBXCKJPGSA-N 2 2 391.559 3.809 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C[N@@H+](Cc2ccccc2)C1 ZINC000136436415 877208135 /nfs/dbraw/zinc/20/81/35/877208135.db2.gz GNXBUBSNRARXNE-GBXCKJPGSA-N 2 2 391.559 3.809 20 0 GHADLP C[C@H]1C[C@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C[N@H+](Cc2ccccc2)C1 ZINC000136436344 877208787 /nfs/dbraw/zinc/20/87/87/877208787.db2.gz GNXBUBSNRARXNE-RDPSFJRHSA-N 2 2 391.559 3.809 20 0 GHADLP C[C@H]1C[C@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C[N@@H+](Cc2ccccc2)C1 ZINC000136436344 877208800 /nfs/dbraw/zinc/20/88/00/877208800.db2.gz GNXBUBSNRARXNE-RDPSFJRHSA-N 2 2 391.559 3.809 20 0 GHADLP CC[N@H+](CCCC(=O)Nc1ccn2cc[nH+]c2c1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183048712 912218942 /nfs/dbraw/zinc/21/89/42/912218942.db2.gz PEJHUGAWKALREO-KRWDZBQOSA-N 2 2 380.492 3.712 20 0 GHADLP CC[N@@H+](CCCC(=O)Nc1ccn2cc[nH+]c2c1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183048712 912218959 /nfs/dbraw/zinc/21/89/59/912218959.db2.gz PEJHUGAWKALREO-KRWDZBQOSA-N 2 2 380.492 3.712 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C2 ZINC000530291765 877454752 /nfs/dbraw/zinc/45/47/52/877454752.db2.gz KSISHUSGEDHCAR-YADARESESA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C2 ZINC000530291765 877454757 /nfs/dbraw/zinc/45/47/57/877454757.db2.gz KSISHUSGEDHCAR-YADARESESA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)CC2 ZINC000530291765 877454761 /nfs/dbraw/zinc/45/47/61/877454761.db2.gz KSISHUSGEDHCAR-YADARESESA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)CC2 ZINC000530291765 877454767 /nfs/dbraw/zinc/45/47/67/877454767.db2.gz KSISHUSGEDHCAR-YADARESESA-N 2 2 394.563 3.809 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)[C@H](C)C1 ZINC000081095012 877606065 /nfs/dbraw/zinc/60/60/65/877606065.db2.gz MQVANERAOFPLFZ-XLIONFOSSA-N 2 2 377.548 3.615 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)[C@H](C)C1 ZINC000081095012 877606071 /nfs/dbraw/zinc/60/60/71/877606071.db2.gz MQVANERAOFPLFZ-XLIONFOSSA-N 2 2 377.548 3.615 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)[C@H](C)C1 ZINC000081095012 877606082 /nfs/dbraw/zinc/60/60/82/877606082.db2.gz MQVANERAOFPLFZ-XLIONFOSSA-N 2 2 377.548 3.615 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)[C@H](C)C1 ZINC000081095012 877606091 /nfs/dbraw/zinc/60/60/91/877606091.db2.gz MQVANERAOFPLFZ-XLIONFOSSA-N 2 2 377.548 3.615 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H](c3ccccc3)[C@H]3CCOC3)C2)cc1 ZINC000551701492 877667976 /nfs/dbraw/zinc/66/79/76/877667976.db2.gz CYIWZYOJHHIWEH-RBZQAINGSA-N 2 2 380.532 3.645 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H](c3ccccc3)[C@H]3CCOC3)C2)cc1 ZINC000551701492 877667984 /nfs/dbraw/zinc/66/79/84/877667984.db2.gz CYIWZYOJHHIWEH-RBZQAINGSA-N 2 2 380.532 3.645 20 0 GHADLP COc1cccc(C[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C2CC2)c1 ZINC000551703874 877673300 /nfs/dbraw/zinc/67/33/00/877673300.db2.gz LRRZJQFMTANVDH-LOSJGSFVSA-N 2 2 394.559 3.897 20 0 GHADLP COc1cccc(C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CC2)c1 ZINC000551703874 877673317 /nfs/dbraw/zinc/67/33/17/877673317.db2.gz LRRZJQFMTANVDH-LOSJGSFVSA-N 2 2 394.559 3.897 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)c2oc3ccccc3c2C[NH+](C)C)c1C ZINC000175784397 877899366 /nfs/dbraw/zinc/89/93/66/877899366.db2.gz UHFIMVYLTANXRL-UHFFFAOYSA-N 2 2 381.476 3.787 20 0 GHADLP C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000530524303 877977392 /nfs/dbraw/zinc/97/73/92/877977392.db2.gz LZRQZCIWHOYMEB-GUDVDZBRSA-N 2 2 398.551 3.809 20 0 GHADLP O=C1C[C@@H](c2ccccc2F)CN1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788382225 878047569 /nfs/dbraw/zinc/04/75/69/878047569.db2.gz LENKCIGPNYLMSV-GOSISDBHSA-N 2 2 396.510 3.512 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000451630272 878243509 /nfs/dbraw/zinc/24/35/09/878243509.db2.gz SIBQSEIOSXRHPV-ZLNRFVROSA-N 2 2 384.564 3.559 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000451630272 878243525 /nfs/dbraw/zinc/24/35/25/878243525.db2.gz SIBQSEIOSXRHPV-ZLNRFVROSA-N 2 2 384.564 3.559 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000451630272 878243543 /nfs/dbraw/zinc/24/35/43/878243543.db2.gz SIBQSEIOSXRHPV-ZLNRFVROSA-N 2 2 384.564 3.559 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000451630272 878243559 /nfs/dbraw/zinc/24/35/59/878243559.db2.gz SIBQSEIOSXRHPV-ZLNRFVROSA-N 2 2 384.564 3.559 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000245683207 878369875 /nfs/dbraw/zinc/36/98/75/878369875.db2.gz PKRDURDQIGHUMK-RDTXWAMCSA-N 2 2 395.334 3.731 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000245683207 878369890 /nfs/dbraw/zinc/36/98/90/878369890.db2.gz PKRDURDQIGHUMK-RDTXWAMCSA-N 2 2 395.334 3.731 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852528687 878403667 /nfs/dbraw/zinc/40/36/67/878403667.db2.gz JYDFKXOLYMBJSU-UHFFFAOYSA-N 2 2 382.508 3.670 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852528687 878403674 /nfs/dbraw/zinc/40/36/74/878403674.db2.gz JYDFKXOLYMBJSU-UHFFFAOYSA-N 2 2 382.508 3.670 20 0 GHADLP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000245706284 878430585 /nfs/dbraw/zinc/43/05/85/878430585.db2.gz MIWOXQGDUMGNHL-VQTJNVASSA-N 2 2 389.902 3.716 20 0 GHADLP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000245706284 878430597 /nfs/dbraw/zinc/43/05/97/878430597.db2.gz MIWOXQGDUMGNHL-VQTJNVASSA-N 2 2 389.902 3.716 20 0 GHADLP CN(C(=O)c1cc2c(s1)CCC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245748982 878536913 /nfs/dbraw/zinc/53/69/13/878536913.db2.gz XCGVZKQKSZRVAE-RTBURBONSA-N 2 2 389.609 3.646 20 0 GHADLP CN(C(=O)c1cc2c(s1)CCC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245748982 878536915 /nfs/dbraw/zinc/53/69/15/878536915.db2.gz XCGVZKQKSZRVAE-RTBURBONSA-N 2 2 389.609 3.646 20 0 GHADLP CCC(CC)[C@H](C(=O)Nc1cccc(C[NH+](CC)CC)c1)[NH+]1CCOCC1 ZINC000460783078 878554964 /nfs/dbraw/zinc/55/49/64/878554964.db2.gz WYFCTIWIWSGUHR-OAQYLSRUSA-N 2 2 375.557 3.604 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1sccc1Br ZINC000537962271 878596082 /nfs/dbraw/zinc/59/60/82/878596082.db2.gz RWBAQHXMQCQMSN-VBNZEHGJSA-N 2 2 387.387 3.929 20 0 GHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000177488150 878728205 /nfs/dbraw/zinc/72/82/05/878728205.db2.gz UGXPGDRAAOYBIN-GOSISDBHSA-N 2 2 383.536 3.646 20 0 GHADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000451990168 878782472 /nfs/dbraw/zinc/78/24/72/878782472.db2.gz RCCSULHITOPDDS-UHFFFAOYSA-N 2 2 376.932 3.501 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000531047435 879011591 /nfs/dbraw/zinc/01/15/91/879011591.db2.gz AFHGINFBHGUEPG-UHFFFAOYSA-N 2 2 393.516 3.942 20 0 GHADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000111383581 879080582 /nfs/dbraw/zinc/08/05/82/879080582.db2.gz AZMITGMGVYNALL-AWEZNQCLSA-N 2 2 377.330 3.661 20 0 GHADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000111383581 879080594 /nfs/dbraw/zinc/08/05/94/879080594.db2.gz AZMITGMGVYNALL-AWEZNQCLSA-N 2 2 377.330 3.661 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccnn1-c1ccccc1 ZINC000467313803 879289772 /nfs/dbraw/zinc/28/97/72/879289772.db2.gz QULDSHUYXMCXMZ-OAQYLSRUSA-N 2 2 389.547 3.735 20 0 GHADLP COc1cccc2cc([C@H](C)[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)oc21 ZINC000538396731 879418121 /nfs/dbraw/zinc/41/81/21/879418121.db2.gz WVGDMFZCMDEXCN-GAJHUEQPSA-N 2 2 380.488 3.729 20 0 GHADLP COc1cccc2cc([C@H](C)[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)oc21 ZINC000538396731 879418128 /nfs/dbraw/zinc/41/81/28/879418128.db2.gz WVGDMFZCMDEXCN-GAJHUEQPSA-N 2 2 380.488 3.729 20 0 GHADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000538428492 879464506 /nfs/dbraw/zinc/46/45/06/879464506.db2.gz WLRDZYSSSWYOCB-GOTSBHOMSA-N 2 2 386.503 3.930 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1cc(F)ccc1Br ZINC000542468840 879561983 /nfs/dbraw/zinc/56/19/83/879561983.db2.gz DXGOQWXDDCWLLM-UHFFFAOYSA-N 2 2 375.245 3.767 20 0 GHADLP O=C(OCc1ccccc1)N1CCC([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000790467820 879770455 /nfs/dbraw/zinc/77/04/55/879770455.db2.gz KDHILVDYSDKCIX-UHFFFAOYSA-N 2 2 390.487 3.763 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2csc3ccccc23)([NH+]2CCCCC2)CC1 ZINC000493963917 879781255 /nfs/dbraw/zinc/78/12/55/879781255.db2.gz ADGNFEYRFOYGJH-UHFFFAOYSA-N 2 2 386.565 3.973 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)ccc2[nH+]1 ZINC000531422765 879802515 /nfs/dbraw/zinc/80/25/15/879802515.db2.gz BLEDEXNDFQMZGV-OXJNMPFZSA-N 2 2 377.492 3.675 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)ccc2[nH+]1 ZINC000531422765 879802538 /nfs/dbraw/zinc/80/25/38/879802538.db2.gz BLEDEXNDFQMZGV-OXJNMPFZSA-N 2 2 377.492 3.675 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000247053281 879900873 /nfs/dbraw/zinc/90/08/73/879900873.db2.gz ZJMNYFKVDMZBHY-MEZWHVQBSA-N 2 2 395.547 3.947 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000247053281 879900879 /nfs/dbraw/zinc/90/08/79/879900879.db2.gz ZJMNYFKVDMZBHY-MEZWHVQBSA-N 2 2 395.547 3.947 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000247053281 879900884 /nfs/dbraw/zinc/90/08/84/879900884.db2.gz ZJMNYFKVDMZBHY-MEZWHVQBSA-N 2 2 395.547 3.947 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000247053281 879900892 /nfs/dbraw/zinc/90/08/92/879900892.db2.gz ZJMNYFKVDMZBHY-MEZWHVQBSA-N 2 2 395.547 3.947 20 0 GHADLP CC[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000247065022 879906508 /nfs/dbraw/zinc/90/65/08/879906508.db2.gz ZYZSHTCAGNUSFO-DZFGPLHGSA-N 2 2 389.971 3.856 20 0 GHADLP CC[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000247065022 879906523 /nfs/dbraw/zinc/90/65/23/879906523.db2.gz ZYZSHTCAGNUSFO-DZFGPLHGSA-N 2 2 389.971 3.856 20 0 GHADLP CC[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000247065022 879906540 /nfs/dbraw/zinc/90/65/40/879906540.db2.gz ZYZSHTCAGNUSFO-DZFGPLHGSA-N 2 2 389.971 3.856 20 0 GHADLP CC[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000247065022 879906548 /nfs/dbraw/zinc/90/65/48/879906548.db2.gz ZYZSHTCAGNUSFO-DZFGPLHGSA-N 2 2 389.971 3.856 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@H](C)C1 ZINC000247129648 879924830 /nfs/dbraw/zinc/92/48/30/879924830.db2.gz ARLKAQDNAWXVSY-PWHSHALESA-N 3 2 384.568 3.968 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@H](C)C1 ZINC000247129648 879924854 /nfs/dbraw/zinc/92/48/54/879924854.db2.gz ARLKAQDNAWXVSY-PWHSHALESA-N 3 2 384.568 3.968 20 0 GHADLP C[C@H](O)[C@](C)(C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)Cc1ccccc1 ZINC000790726271 879964818 /nfs/dbraw/zinc/96/48/18/879964818.db2.gz QDRTVODVDSQZPE-CPJSRVTESA-N 2 2 395.591 3.941 20 0 GHADLP C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247431726 879998531 /nfs/dbraw/zinc/99/85/31/879998531.db2.gz LEKZSFMAQWPXQF-MCEIDBOGSA-N 2 2 395.551 3.531 20 0 GHADLP C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[N@H+]1CCC[C@@H](C)C1 ZINC000247431726 879998536 /nfs/dbraw/zinc/99/85/36/879998536.db2.gz LEKZSFMAQWPXQF-MCEIDBOGSA-N 2 2 395.551 3.531 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247959734 880094785 /nfs/dbraw/zinc/09/47/85/880094785.db2.gz GAHYVKAECFRKCI-PMOQBDJRSA-N 2 2 393.531 3.791 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247959734 880094789 /nfs/dbraw/zinc/09/47/89/880094789.db2.gz GAHYVKAECFRKCI-PMOQBDJRSA-N 2 2 393.531 3.791 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247959734 880094804 /nfs/dbraw/zinc/09/48/04/880094804.db2.gz GAHYVKAECFRKCI-PMOQBDJRSA-N 2 2 393.531 3.791 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247959734 880094818 /nfs/dbraw/zinc/09/48/18/880094818.db2.gz GAHYVKAECFRKCI-PMOQBDJRSA-N 2 2 393.531 3.791 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)Cc3cnn(C4CCC4)c3)cc2)C[C@H](C)O1 ZINC001183491533 912545346 /nfs/dbraw/zinc/54/53/46/912545346.db2.gz RNQUQKWRHQVPHF-KDURUIRLSA-N 2 2 382.552 3.849 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3cnn(C4CCC4)c3)cc2)C[C@H](C)O1 ZINC001183491533 912545378 /nfs/dbraw/zinc/54/53/78/912545378.db2.gz RNQUQKWRHQVPHF-KDURUIRLSA-N 2 2 382.552 3.849 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3cnn(C4CCC4)c3)cc2)C[C@H](C)O1 ZINC001183491533 912545390 /nfs/dbraw/zinc/54/53/90/912545390.db2.gz RNQUQKWRHQVPHF-KDURUIRLSA-N 2 2 382.552 3.849 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3cnn(C4CCC4)c3)cc2)C[C@H](C)O1 ZINC001183491533 912545397 /nfs/dbraw/zinc/54/53/97/912545397.db2.gz RNQUQKWRHQVPHF-KDURUIRLSA-N 2 2 382.552 3.849 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453104747 880471304 /nfs/dbraw/zinc/47/13/04/880471304.db2.gz DESPOHCWZHKTPP-SFTDATJTSA-N 2 2 394.987 3.909 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1C ZINC000113608142 880712539 /nfs/dbraw/zinc/71/25/39/880712539.db2.gz SDGOWJRONPJKEM-KRWDZBQOSA-N 2 2 384.524 3.636 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000531962813 880827219 /nfs/dbraw/zinc/82/72/19/880827219.db2.gz RIGIBHUBEYLGRG-ROUUACIJSA-N 2 2 379.976 3.787 20 0 GHADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000532016320 880929787 /nfs/dbraw/zinc/92/97/87/880929787.db2.gz SVQPOLIOEXMZFD-RBUKOAKNSA-N 2 2 376.447 3.692 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000182091418 883182324 /nfs/dbraw/zinc/18/23/24/883182324.db2.gz UOEURIDAVLITAW-LJQANCHMSA-N 2 2 376.504 3.849 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000182091418 883182327 /nfs/dbraw/zinc/18/23/27/883182327.db2.gz UOEURIDAVLITAW-LJQANCHMSA-N 2 2 376.504 3.849 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]Cc2nnc3n2CCCCC3)cc1C[NH+]1CCCCC1 ZINC000182224479 883213599 /nfs/dbraw/zinc/21/35/99/883213599.db2.gz FTZLHDONXBBSFD-GOSISDBHSA-N 2 2 397.567 3.850 20 0 GHADLP COc1ccc2cc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]3CCc4ccccc4C3)ccc2c1 ZINC000551272872 883584675 /nfs/dbraw/zinc/58/46/75/883584675.db2.gz PJRQJXBZAYXPHS-MHECFPHRSA-N 2 2 390.527 3.918 20 0 GHADLP COc1ccc2cc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]3CCc4ccccc4C3)ccc2c1 ZINC000551272872 883584680 /nfs/dbraw/zinc/58/46/80/883584680.db2.gz PJRQJXBZAYXPHS-MHECFPHRSA-N 2 2 390.527 3.918 20 0 GHADLP OCC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCCc2ccccc21 ZINC000551387832 883782768 /nfs/dbraw/zinc/78/27/68/883782768.db2.gz VZGZMYQXVVFDSZ-ILBGXUMGSA-N 2 2 394.559 3.649 20 0 GHADLP OCC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCCc2ccccc21 ZINC000551387832 883782774 /nfs/dbraw/zinc/78/27/74/883782774.db2.gz VZGZMYQXVVFDSZ-ILBGXUMGSA-N 2 2 394.559 3.649 20 0 GHADLP OCC[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCc2ccccc21 ZINC000551387832 883782778 /nfs/dbraw/zinc/78/27/78/883782778.db2.gz VZGZMYQXVVFDSZ-ILBGXUMGSA-N 2 2 394.559 3.649 20 0 GHADLP OCC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCc2ccccc21 ZINC000551387832 883782785 /nfs/dbraw/zinc/78/27/85/883782785.db2.gz VZGZMYQXVVFDSZ-ILBGXUMGSA-N 2 2 394.559 3.649 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000136313402 883790101 /nfs/dbraw/zinc/79/01/01/883790101.db2.gz QUAYDHPOOCMXTR-UHFFFAOYSA-N 2 2 396.314 3.588 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000136313402 883790112 /nfs/dbraw/zinc/79/01/12/883790112.db2.gz QUAYDHPOOCMXTR-UHFFFAOYSA-N 2 2 396.314 3.588 20 0 GHADLP CSc1ccc(/C=C/C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)s1 ZINC000859644249 883965875 /nfs/dbraw/zinc/96/58/75/883965875.db2.gz VGXOWIQAKXZVOS-SOFGYWHQSA-N 2 2 393.622 3.550 20 0 GHADLP C[C@H]1CCc2nc(CNc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)sc2C1 ZINC000498352198 884114265 /nfs/dbraw/zinc/11/42/65/884114265.db2.gz GCWFPFSPEIVRJC-HNNXBMFYSA-N 2 2 385.581 3.805 20 0 GHADLP Cc1cc(N2CCC(OCC[NH+](C)C)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000476197689 884260808 /nfs/dbraw/zinc/26/08/08/884260808.db2.gz KLRPCXAOOVRAAZ-UHFFFAOYSA-N 2 2 397.441 3.989 20 0 GHADLP CCc1ccc([C@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[NH+](C)C)cc1 ZINC000060602784 884813655 /nfs/dbraw/zinc/81/36/55/884813655.db2.gz RBUJDFBMHJFNAV-QFIPXVFZSA-N 2 2 376.504 3.527 20 0 GHADLP C[C@H]1[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCN1Cc1ccccc1 ZINC000806662627 884920565 /nfs/dbraw/zinc/92/05/65/884920565.db2.gz FUILLMPMRHNEMY-NBGIEHNGSA-N 2 2 392.591 3.974 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000666451802 885100548 /nfs/dbraw/zinc/10/05/48/885100548.db2.gz PGDNDVPYRZBUJY-KRWDZBQOSA-N 2 2 393.535 3.844 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000666451802 885100555 /nfs/dbraw/zinc/10/05/55/885100555.db2.gz PGDNDVPYRZBUJY-KRWDZBQOSA-N 2 2 393.535 3.844 20 0 GHADLP CC(C)Cc1ccc([C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)N(C)C)cc1 ZINC000655768656 885531568 /nfs/dbraw/zinc/53/15/68/885531568.db2.gz LMOUGTOBILGVKR-BJKOFHAPSA-N 2 2 387.612 3.721 20 0 GHADLP CC(C)[NH+](CCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C(C)C ZINC000131115071 885546997 /nfs/dbraw/zinc/54/69/97/885546997.db2.gz HWYUYWMSFZVREE-RTWAWAEBSA-N 2 2 383.540 3.530 20 0 GHADLP C[NH+]1CCC(CNC(=O)NCCCC2CCCCC2)([NH+]2CCCCC2)CC1 ZINC000465551049 885642149 /nfs/dbraw/zinc/64/21/49/885642149.db2.gz RQJUDTGPJOOAIU-UHFFFAOYSA-N 2 2 378.605 3.596 20 0 GHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2N2CCOCC2)C[C@H]1c1ccccc1 ZINC000550661777 885786739 /nfs/dbraw/zinc/78/67/39/885786739.db2.gz IBVGWLYGFOQWOM-GGAORHGYSA-N 2 2 383.511 3.587 20 0 GHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2N2CCOCC2)C[C@H]1c1ccccc1 ZINC000550661777 885786747 /nfs/dbraw/zinc/78/67/47/885786747.db2.gz IBVGWLYGFOQWOM-GGAORHGYSA-N 2 2 383.511 3.587 20 0 GHADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000119388789 886640964 /nfs/dbraw/zinc/64/09/64/886640964.db2.gz IVXACQDKVLGNII-UHFFFAOYSA-N 2 2 395.334 3.737 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)C2 ZINC000476511621 886651887 /nfs/dbraw/zinc/65/18/87/886651887.db2.gz SPTSVMKXPYJELR-SFHVURJKSA-N 2 2 382.552 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)C2 ZINC000476511621 886651893 /nfs/dbraw/zinc/65/18/93/886651893.db2.gz SPTSVMKXPYJELR-SFHVURJKSA-N 2 2 382.552 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)CC2 ZINC000476511621 886651896 /nfs/dbraw/zinc/65/18/96/886651896.db2.gz SPTSVMKXPYJELR-SFHVURJKSA-N 2 2 382.552 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000476511621 886651903 /nfs/dbraw/zinc/65/19/03/886651903.db2.gz SPTSVMKXPYJELR-SFHVURJKSA-N 2 2 382.552 3.665 20 0 GHADLP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc2ccccc2o1 ZINC000556925078 886719102 /nfs/dbraw/zinc/71/91/02/886719102.db2.gz YBYAKFATWAFUNF-PRCIMEDXSA-N 2 2 383.536 3.803 20 0 GHADLP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc2ccccc2o1 ZINC000556925078 886719111 /nfs/dbraw/zinc/71/91/11/886719111.db2.gz YBYAKFATWAFUNF-PRCIMEDXSA-N 2 2 383.536 3.803 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000237613226 886968592 /nfs/dbraw/zinc/96/85/92/886968592.db2.gz OMXPKKLVBJMORE-HOTGVXAUSA-N 2 2 390.959 3.731 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1[C@@H](C[NH2+]C1CC[NH+](C)CC1)C(F)(F)F ZINC001184314517 913122846 /nfs/dbraw/zinc/12/28/46/913122846.db2.gz ROGMEDVUWLAECL-GOSISDBHSA-N 2 2 380.458 3.819 20 0 GHADLP C[C@H]([NH3+])c1ccc(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000666678781 887291829 /nfs/dbraw/zinc/29/18/29/887291829.db2.gz XIAWKDSFUYNOKX-GJZGRUSLSA-N 2 2 387.553 3.716 20 0 GHADLP C[C@H]([NH3+])c1ccc(CNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000666678781 887291841 /nfs/dbraw/zinc/29/18/41/887291841.db2.gz XIAWKDSFUYNOKX-GJZGRUSLSA-N 2 2 387.553 3.716 20 0 GHADLP COc1cc(Br)ccc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655757589 887415065 /nfs/dbraw/zinc/41/50/65/887415065.db2.gz JHCKGGZQEVGUIE-WMLDXEAASA-N 2 2 397.357 3.752 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCC(=O)c3ccc(Br)cc3)CC[C@H]21 ZINC000322277505 887481748 /nfs/dbraw/zinc/48/17/48/887481748.db2.gz QJZRULIUAUVKSA-FUHWJXTLSA-N 2 2 379.342 3.828 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](CCCC(=O)c3ccc(Br)cc3)CC[C@H]21 ZINC000322277505 887481755 /nfs/dbraw/zinc/48/17/55/887481755.db2.gz QJZRULIUAUVKSA-FUHWJXTLSA-N 2 2 379.342 3.828 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](CCCC(=O)c3ccc(Br)cc3)CC[C@H]21 ZINC000322277505 887481761 /nfs/dbraw/zinc/48/17/61/887481761.db2.gz QJZRULIUAUVKSA-FUHWJXTLSA-N 2 2 379.342 3.828 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCC(=O)c3ccc(Br)cc3)CC[C@H]21 ZINC000322277505 887481766 /nfs/dbraw/zinc/48/17/66/887481766.db2.gz QJZRULIUAUVKSA-FUHWJXTLSA-N 2 2 379.342 3.828 20 0 GHADLP CC[NH+](CC)CC1CC[NH+](Cc2nc3ccccn3c2Br)CC1 ZINC000809545832 887560446 /nfs/dbraw/zinc/56/04/46/887560446.db2.gz SDRUCBPJRXAEJZ-UHFFFAOYSA-N 2 2 379.346 3.651 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000809595351 887601264 /nfs/dbraw/zinc/60/12/64/887601264.db2.gz JTDJDKYPSXJOFS-LPHOPBHVSA-N 2 2 385.943 3.678 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000809595351 887601269 /nfs/dbraw/zinc/60/12/69/887601269.db2.gz JTDJDKYPSXJOFS-LPHOPBHVSA-N 2 2 385.943 3.678 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000809595351 887601272 /nfs/dbraw/zinc/60/12/72/887601272.db2.gz JTDJDKYPSXJOFS-LPHOPBHVSA-N 2 2 385.943 3.678 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000809595351 887601275 /nfs/dbraw/zinc/60/12/75/887601275.db2.gz JTDJDKYPSXJOFS-LPHOPBHVSA-N 2 2 385.943 3.678 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)[C@H](O)c2ccc(Br)cc2)s1 ZINC000809641360 887644635 /nfs/dbraw/zinc/64/46/35/887644635.db2.gz YHTBFVZKNHIFAP-MRXNPFEDSA-N 2 2 398.370 3.569 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000794598021 887664930 /nfs/dbraw/zinc/66/49/30/887664930.db2.gz JDKXWNPAFPNITF-UHFFFAOYSA-N 2 2 382.508 3.848 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000794598021 887664938 /nfs/dbraw/zinc/66/49/38/887664938.db2.gz JDKXWNPAFPNITF-UHFFFAOYSA-N 2 2 382.508 3.848 20 0 GHADLP Cc1cc(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c(C)c[nH+]1 ZINC000536618318 887669254 /nfs/dbraw/zinc/66/92/54/887669254.db2.gz DIRSBEXJWVFMPE-UHFFFAOYSA-N 2 2 378.476 3.667 20 0 GHADLP Cc1cc(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c(C)c[nH+]1 ZINC000536618318 887669259 /nfs/dbraw/zinc/66/92/59/887669259.db2.gz DIRSBEXJWVFMPE-UHFFFAOYSA-N 2 2 378.476 3.667 20 0 GHADLP COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000809696484 887673814 /nfs/dbraw/zinc/67/38/14/887673814.db2.gz KQGDOMCPMHLJPJ-IBGZPJMESA-N 2 2 386.458 3.572 20 0 GHADLP COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000809696484 887673824 /nfs/dbraw/zinc/67/38/24/887673824.db2.gz KQGDOMCPMHLJPJ-IBGZPJMESA-N 2 2 386.458 3.572 20 0 GHADLP COC(=O)[C@]1(C(F)(F)F)CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000809696484 887673838 /nfs/dbraw/zinc/67/38/38/887673838.db2.gz KQGDOMCPMHLJPJ-IBGZPJMESA-N 2 2 386.458 3.572 20 0 GHADLP COC(=O)[C@]1(C(F)(F)F)CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000809696484 887673852 /nfs/dbraw/zinc/67/38/52/887673852.db2.gz KQGDOMCPMHLJPJ-IBGZPJMESA-N 2 2 386.458 3.572 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)n2)C1 ZINC000809999525 888067064 /nfs/dbraw/zinc/06/70/64/888067064.db2.gz ODTLEZRSFGYZJH-LIRRHRJNSA-N 2 2 382.549 3.526 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)n2)C1 ZINC000809999525 888067079 /nfs/dbraw/zinc/06/70/79/888067079.db2.gz ODTLEZRSFGYZJH-LIRRHRJNSA-N 2 2 382.549 3.526 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)n2)C1 ZINC000809999525 888067094 /nfs/dbraw/zinc/06/70/94/888067094.db2.gz ODTLEZRSFGYZJH-LIRRHRJNSA-N 2 2 382.549 3.526 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)n2)C1 ZINC000809999525 888067106 /nfs/dbraw/zinc/06/71/06/888067106.db2.gz ODTLEZRSFGYZJH-LIRRHRJNSA-N 2 2 382.549 3.526 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)n2)CC1 ZINC000810009380 888075557 /nfs/dbraw/zinc/07/55/57/888075557.db2.gz WZXMVYJGUBDESX-IBGZPJMESA-N 2 2 382.549 3.526 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)n2)CC1 ZINC000810009380 888075570 /nfs/dbraw/zinc/07/55/70/888075570.db2.gz WZXMVYJGUBDESX-IBGZPJMESA-N 2 2 382.549 3.526 20 0 GHADLP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1c(Cl)cncc1Cl ZINC000865524694 888408840 /nfs/dbraw/zinc/40/88/40/888408840.db2.gz NCAMCGLOIVMKJU-MRXNPFEDSA-N 2 2 380.319 3.635 20 0 GHADLP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1c(Cl)cncc1Cl ZINC000865524694 888408852 /nfs/dbraw/zinc/40/88/52/888408852.db2.gz NCAMCGLOIVMKJU-MRXNPFEDSA-N 2 2 380.319 3.635 20 0 GHADLP COc1ccccc1-c1ncc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cn1 ZINC000644388881 913242725 /nfs/dbraw/zinc/24/27/25/913242725.db2.gz GYPGXLBGAKHPMN-NRFANRHFSA-N 2 2 399.498 3.959 20 0 GHADLP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000729684861 888593678 /nfs/dbraw/zinc/59/36/78/888593678.db2.gz XZDXIZWBHIMEDG-WOJBJXKFSA-N 2 2 394.544 3.554 20 0 GHADLP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000729684861 888593687 /nfs/dbraw/zinc/59/36/87/888593687.db2.gz XZDXIZWBHIMEDG-WOJBJXKFSA-N 2 2 394.544 3.554 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NC(C)(C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000454503248 889156088 /nfs/dbraw/zinc/15/60/88/889156088.db2.gz IBIPJZLNCBXOMR-ROUUACIJSA-N 2 2 390.572 3.538 20 0 GHADLP C[C@H](C(=O)Nc1cccnc1Cl)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121832527 889164076 /nfs/dbraw/zinc/16/40/76/889164076.db2.gz NJQOALASPCLZGL-MRXNPFEDSA-N 2 2 378.948 3.650 20 0 GHADLP CN(C(=O)Cc1ccccc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124518802 889657752 /nfs/dbraw/zinc/65/77/52/889657752.db2.gz ZQESNQZAGRIWAL-SFTDATJTSA-N 2 2 391.987 3.678 20 0 GHADLP CN(C(=O)Cc1ccccc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124518802 889657765 /nfs/dbraw/zinc/65/77/65/889657765.db2.gz ZQESNQZAGRIWAL-SFTDATJTSA-N 2 2 391.987 3.678 20 0 GHADLP CN(C(=O)c1cc2ccccc2o1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124603115 889692086 /nfs/dbraw/zinc/69/20/86/889692086.db2.gz XJFGURUZLZLWHI-PMACEKPBSA-N 2 2 383.536 3.842 20 0 GHADLP CN(C(=O)c1cc2ccccc2o1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124603115 889692090 /nfs/dbraw/zinc/69/20/90/889692090.db2.gz XJFGURUZLZLWHI-PMACEKPBSA-N 2 2 383.536 3.842 20 0 GHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000125483542 890012808 /nfs/dbraw/zinc/01/28/08/890012808.db2.gz LHNKORSMMIRZKO-SFHVURJKSA-N 2 2 378.314 3.808 20 0 GHADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000125483542 890012825 /nfs/dbraw/zinc/01/28/25/890012825.db2.gz LHNKORSMMIRZKO-SFHVURJKSA-N 2 2 378.314 3.808 20 0 GHADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000533253954 890101528 /nfs/dbraw/zinc/10/15/28/890101528.db2.gz CMEBLCGMVBGZAU-MRXNPFEDSA-N 2 2 398.391 3.907 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC000795102322 890260957 /nfs/dbraw/zinc/26/09/57/890260957.db2.gz NSVOIDZOOUPHBP-QUCCMNQESA-N 2 2 382.508 3.704 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC000795102322 890260973 /nfs/dbraw/zinc/26/09/73/890260973.db2.gz NSVOIDZOOUPHBP-QUCCMNQESA-N 2 2 382.508 3.704 20 0 GHADLP CCCC[NH+]1CCC(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000455103638 890309121 /nfs/dbraw/zinc/30/91/21/890309121.db2.gz GLOKCKKUSPXOKO-UHFFFAOYSA-N 2 2 389.931 3.589 20 0 GHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(O[C@H]2CCOC2)c1 ZINC000246996603 891329726 /nfs/dbraw/zinc/32/97/26/891329726.db2.gz JQCPRUOLPYTVRE-WTIAFYNJSA-N 2 2 395.547 3.558 20 0 GHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(O[C@H]2CCOC2)c1 ZINC000246996603 891329741 /nfs/dbraw/zinc/32/97/41/891329741.db2.gz JQCPRUOLPYTVRE-WTIAFYNJSA-N 2 2 395.547 3.558 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000247034000 891335677 /nfs/dbraw/zinc/33/56/77/891335677.db2.gz MJQCYGPULDQXSI-SQJMNOBHSA-N 3 2 392.591 3.794 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000247034000 891335688 /nfs/dbraw/zinc/33/56/88/891335688.db2.gz MJQCYGPULDQXSI-SQJMNOBHSA-N 3 2 392.591 3.794 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc2c(s1)CCC2 ZINC000162029682 892020360 /nfs/dbraw/zinc/02/03/60/892020360.db2.gz FNADXXOEFXUIFM-KRWDZBQOSA-N 2 2 386.561 3.799 20 0 GHADLP Fc1ccc(-c2ccc(C[NH+]3CCC(c4nnc5n4CC[NH2+]C5)CC3)s2)cc1 ZINC000261859281 892144427 /nfs/dbraw/zinc/14/44/27/892144427.db2.gz YETWFSOJROGZDD-UHFFFAOYSA-N 2 2 397.523 3.629 20 0 GHADLP COc1cc(-c2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)ccc1OCC[NH+](C)C ZINC000923833141 892372318 /nfs/dbraw/zinc/37/23/18/892372318.db2.gz JRQGNIQBDUMFMH-QGZVFWFLSA-N 2 2 399.495 3.518 20 0 GHADLP C[C@H](CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000508709216 892801832 /nfs/dbraw/zinc/80/18/32/892801832.db2.gz GQOPFFKNXBISKH-ZFGGDYGUSA-N 2 2 377.576 3.933 20 0 GHADLP C[C@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000508709216 892801850 /nfs/dbraw/zinc/80/18/50/892801850.db2.gz GQOPFFKNXBISKH-ZFGGDYGUSA-N 2 2 377.576 3.933 20 0 GHADLP C[C@H](CN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000508709216 892801870 /nfs/dbraw/zinc/80/18/70/892801870.db2.gz GQOPFFKNXBISKH-ZFGGDYGUSA-N 2 2 377.576 3.933 20 0 GHADLP C[C@H](CN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000508709216 892801890 /nfs/dbraw/zinc/80/18/90/892801890.db2.gz GQOPFFKNXBISKH-ZFGGDYGUSA-N 2 2 377.576 3.933 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508723379 892988304 /nfs/dbraw/zinc/98/83/04/892988304.db2.gz WHXHSSVWOCDXFV-QPPBQGQZSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508723379 892988310 /nfs/dbraw/zinc/98/83/10/892988310.db2.gz WHXHSSVWOCDXFV-QPPBQGQZSA-N 3 2 393.575 3.519 20 0 GHADLP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000562964669 893225987 /nfs/dbraw/zinc/22/59/87/893225987.db2.gz ZBEDBDBJIMREIU-IRLDBZIGSA-N 2 2 392.547 3.666 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000563060839 893328157 /nfs/dbraw/zinc/32/81/57/893328157.db2.gz GYVPWHRTXCJWPB-YCRPNKLZSA-N 2 2 387.474 3.513 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000563060839 893328169 /nfs/dbraw/zinc/32/81/69/893328169.db2.gz GYVPWHRTXCJWPB-YCRPNKLZSA-N 2 2 387.474 3.513 20 0 GHADLP CCOP(=O)(CCC[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1C)OCC ZINC000876818715 893346669 /nfs/dbraw/zinc/34/66/69/893346669.db2.gz XVPGFKIFZDDCDE-UHFFFAOYSA-N 2 2 383.473 3.815 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000815101951 893471984 /nfs/dbraw/zinc/47/19/84/893471984.db2.gz DHPZLPXTELYNCW-PBHICJAKSA-N 2 2 389.765 3.726 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000815101951 893471996 /nfs/dbraw/zinc/47/19/96/893471996.db2.gz DHPZLPXTELYNCW-PBHICJAKSA-N 2 2 389.765 3.726 20 0 GHADLP Oc1cccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1Br ZINC000459412842 893474250 /nfs/dbraw/zinc/47/42/50/893474250.db2.gz VWXHYJPXFPFRBB-KRWDZBQOSA-N 2 2 389.337 3.809 20 0 GHADLP Oc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1Br ZINC000459412842 893474258 /nfs/dbraw/zinc/47/42/58/893474258.db2.gz VWXHYJPXFPFRBB-KRWDZBQOSA-N 2 2 389.337 3.809 20 0 GHADLP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444788852 893508948 /nfs/dbraw/zinc/50/89/48/893508948.db2.gz BAUNLKXXIBVANB-ZIAGYGMSSA-N 2 2 380.414 3.646 20 0 GHADLP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444788852 893508964 /nfs/dbraw/zinc/50/89/64/893508964.db2.gz BAUNLKXXIBVANB-ZIAGYGMSSA-N 2 2 380.414 3.646 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)cn1 ZINC000126422235 893539141 /nfs/dbraw/zinc/53/91/41/893539141.db2.gz DPAKJXGALMVKBV-CQSZACIVSA-N 2 2 393.882 3.661 20 0 GHADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000129526898 893561695 /nfs/dbraw/zinc/56/16/95/893561695.db2.gz NYOBYMGFHCGSEY-QZTJIDSGSA-N 2 2 386.458 3.608 20 0 GHADLP [NH3+][C@@H](C[C@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1)C1CCCC1 ZINC000877448086 893611572 /nfs/dbraw/zinc/61/15/72/893611572.db2.gz CUDTZSRIOYMRQV-KNQAVFIVSA-N 2 2 380.536 3.691 20 0 GHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000563443905 893728841 /nfs/dbraw/zinc/72/88/41/893728841.db2.gz XODPUQKEDBMGJF-QGZVFWFLSA-N 2 2 377.960 3.655 20 0 GHADLP C[C@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCC1(F)F ZINC000563918804 894327404 /nfs/dbraw/zinc/32/74/04/894327404.db2.gz GZZBNXCGTZZCPE-MAUKXSAKSA-N 2 2 399.913 3.570 20 0 GHADLP C[C@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCC1(F)F ZINC000563918804 894327417 /nfs/dbraw/zinc/32/74/17/894327417.db2.gz GZZBNXCGTZZCPE-MAUKXSAKSA-N 2 2 399.913 3.570 20 0 GHADLP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000760326325 895205214 /nfs/dbraw/zinc/20/52/14/895205214.db2.gz MODBHMAJNSQVRS-IGCXYCKISA-N 2 2 385.733 3.543 20 0 GHADLP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000760326325 895205231 /nfs/dbraw/zinc/20/52/31/895205231.db2.gz MODBHMAJNSQVRS-IGCXYCKISA-N 2 2 385.733 3.543 20 0 GHADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[NH+](Cc4cccs4)CC3)ccc21 ZINC000455858033 895215375 /nfs/dbraw/zinc/21/53/75/895215375.db2.gz IQEOBVBOSPWINP-HXUWFJFHSA-N 2 2 384.549 3.647 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)nc1C1CC1 ZINC000565391756 895587630 /nfs/dbraw/zinc/58/76/30/895587630.db2.gz XHGIBQGPZCRHQU-IIBYNOLFSA-N 2 2 385.552 3.878 20 0 GHADLP CCCC[C@H](CC)CNC(=S)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817565857 895737634 /nfs/dbraw/zinc/73/76/34/895737634.db2.gz GVRCDEFIUQPUSF-IBGZPJMESA-N 2 2 382.662 3.569 20 0 GHADLP CCCC[C@H](CC)CNC(=S)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817565857 895737644 /nfs/dbraw/zinc/73/76/44/895737644.db2.gz GVRCDEFIUQPUSF-IBGZPJMESA-N 2 2 382.662 3.569 20 0 GHADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cccc(C)c1 ZINC000645685397 914020402 /nfs/dbraw/zinc/02/04/02/914020402.db2.gz YNWKWEOAPFUMIB-YADHBBJMSA-N 2 2 388.515 3.559 20 0 GHADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cccc(C)c1 ZINC000645685397 914020421 /nfs/dbraw/zinc/02/04/21/914020421.db2.gz YNWKWEOAPFUMIB-YADHBBJMSA-N 2 2 388.515 3.559 20 0 GHADLP Brc1ccc2c(c1)C[C@@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)CC2 ZINC001170891254 896076649 /nfs/dbraw/zinc/07/66/49/896076649.db2.gz ZYQDPMPHAZYOSS-IBGZPJMESA-N 2 2 386.337 3.960 20 0 GHADLP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000566104062 896111163 /nfs/dbraw/zinc/11/11/63/896111163.db2.gz YTPYVDCGLFKEKA-CQSZACIVSA-N 2 2 396.322 3.582 20 0 GHADLP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC000818964897 896269808 /nfs/dbraw/zinc/26/98/08/896269808.db2.gz KRDYJMDRHORMJY-FQEVSTJZSA-N 2 2 395.330 3.649 20 0 GHADLP CC(C)C[C@@H](C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)n1cc[nH+]c1 ZINC000820159451 897200914 /nfs/dbraw/zinc/20/09/14/897200914.db2.gz ZOKIHYVKBVHFHP-QFIPXVFZSA-N 2 2 397.567 3.887 20 0 GHADLP COCc1cc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)ccc1OC ZINC000567600220 897283306 /nfs/dbraw/zinc/28/33/06/897283306.db2.gz MEUAVIQOUURYJF-UZLBHIALSA-N 2 2 384.524 3.550 20 0 GHADLP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3ncc(C4OCCO4)s3)cc2)CC1 ZINC000289367342 914162214 /nfs/dbraw/zinc/16/22/14/914162214.db2.gz ZJYRBCAPJUKXSG-UHFFFAOYSA-N 2 2 387.549 3.710 20 0 GHADLP Cn1ccnc1C[N@H+](CCOc1cccc(C(C)(C)C)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000567899946 897477624 /nfs/dbraw/zinc/47/76/24/897477624.db2.gz XFSJJWCWQQUDHT-OAQYLSRUSA-N 2 2 396.579 3.741 20 0 GHADLP Cn1ccnc1C[N@@H+](CCOc1cccc(C(C)(C)C)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000567899946 897477631 /nfs/dbraw/zinc/47/76/31/897477631.db2.gz XFSJJWCWQQUDHT-OAQYLSRUSA-N 2 2 396.579 3.741 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+][C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000778643249 897822825 /nfs/dbraw/zinc/82/28/25/897822825.db2.gz MVFJSJVHZFGEAA-MAUKXSAKSA-N 2 2 397.954 3.930 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000778643249 897822833 /nfs/dbraw/zinc/82/28/33/897822833.db2.gz MVFJSJVHZFGEAA-MAUKXSAKSA-N 2 2 397.954 3.930 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N([C@H](C)C3CC3)C3CC3)C2)s1 ZINC000568563993 897937004 /nfs/dbraw/zinc/93/70/04/897937004.db2.gz JABSABIBZHDJBB-QZTJIDSGSA-N 2 2 389.609 3.600 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N([C@H](C)C3CC3)C3CC3)C2)s1 ZINC000568563993 897937011 /nfs/dbraw/zinc/93/70/11/897937011.db2.gz JABSABIBZHDJBB-QZTJIDSGSA-N 2 2 389.609 3.600 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N([C@H](C)C3CC3)C3CC3)C2)s1 ZINC000568563993 897937021 /nfs/dbraw/zinc/93/70/21/897937021.db2.gz JABSABIBZHDJBB-QZTJIDSGSA-N 2 2 389.609 3.600 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N([C@H](C)C3CC3)C3CC3)C2)s1 ZINC000568563993 897937032 /nfs/dbraw/zinc/93/70/32/897937032.db2.gz JABSABIBZHDJBB-QZTJIDSGSA-N 2 2 389.609 3.600 20 0 GHADLP C[NH+](C)C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000569281403 898503175 /nfs/dbraw/zinc/50/31/75/898503175.db2.gz ZPJTWOXYBYOPCN-NRFANRHFSA-N 2 2 396.922 3.546 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(-c2c(F)cccc2F)cc1 ZINC000569294492 898515868 /nfs/dbraw/zinc/51/58/68/898515868.db2.gz XESUVDQPKXOJLZ-YWZLYKJASA-N 2 2 387.474 3.622 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(-c2c(F)cccc2F)cc1 ZINC000569294492 898515877 /nfs/dbraw/zinc/51/58/77/898515877.db2.gz XESUVDQPKXOJLZ-YWZLYKJASA-N 2 2 387.474 3.622 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000569507681 898726073 /nfs/dbraw/zinc/72/60/73/898726073.db2.gz KSYAYSDDCYXVHV-KBXCAEBGSA-N 2 2 379.426 3.822 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000569507681 898726089 /nfs/dbraw/zinc/72/60/89/898726089.db2.gz KSYAYSDDCYXVHV-KBXCAEBGSA-N 2 2 379.426 3.822 20 0 GHADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1c(C)nn(C)c1C ZINC000111247708 898793836 /nfs/dbraw/zinc/79/38/36/898793836.db2.gz YAAUZSAOTCIDPK-UHFFFAOYSA-N 2 2 381.524 3.725 20 0 GHADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1c(C)nn(C)c1C ZINC000111247708 898793849 /nfs/dbraw/zinc/79/38/49/898793849.db2.gz YAAUZSAOTCIDPK-UHFFFAOYSA-N 2 2 381.524 3.725 20 0 GHADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000569929678 899029106 /nfs/dbraw/zinc/02/91/06/899029106.db2.gz UYEAXKFCAOELRR-VDGAXYAQSA-N 2 2 389.902 3.597 20 0 GHADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000569929678 899029120 /nfs/dbraw/zinc/02/91/20/899029120.db2.gz UYEAXKFCAOELRR-VDGAXYAQSA-N 2 2 389.902 3.597 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC(Cc4cccnc4)CC3)C2)cc1 ZINC000570430053 899315471 /nfs/dbraw/zinc/31/54/71/899315471.db2.gz ONLBWFQAKMMUSC-XMMPIXPASA-N 2 2 379.548 3.627 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC(Cc4cccnc4)CC3)C2)cc1 ZINC000570430053 899315481 /nfs/dbraw/zinc/31/54/81/899315481.db2.gz ONLBWFQAKMMUSC-XMMPIXPASA-N 2 2 379.548 3.627 20 0 GHADLP CC(C)C1CCC([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000824216432 899461736 /nfs/dbraw/zinc/46/17/36/899461736.db2.gz RJESHMQCPRCXGM-UHFFFAOYSA-N 2 2 382.556 3.636 20 0 GHADLP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000134061801 899500859 /nfs/dbraw/zinc/50/08/59/899500859.db2.gz DUPNNMLHEHSNSK-VQIMIIECSA-N 2 2 386.927 3.879 20 0 GHADLP CCOc1cccc(Cl)c1CN1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000570814234 899610239 /nfs/dbraw/zinc/61/02/39/899610239.db2.gz NWWIKJAENBTSIU-UHFFFAOYSA-N 2 2 379.976 3.731 20 0 GHADLP CCOc1cccc(Cl)c1CN1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000570814234 899610250 /nfs/dbraw/zinc/61/02/50/899610250.db2.gz NWWIKJAENBTSIU-UHFFFAOYSA-N 2 2 379.976 3.731 20 0 GHADLP CCOc1cccc(Cl)c1C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000570814234 899610258 /nfs/dbraw/zinc/61/02/58/899610258.db2.gz NWWIKJAENBTSIU-UHFFFAOYSA-N 2 2 379.976 3.731 20 0 GHADLP CCOc1cccc(Cl)c1C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000570814234 899610270 /nfs/dbraw/zinc/61/02/70/899610270.db2.gz NWWIKJAENBTSIU-UHFFFAOYSA-N 2 2 379.976 3.731 20 0 GHADLP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000824575891 899694892 /nfs/dbraw/zinc/69/48/92/899694892.db2.gz SZMYELBAHGEFOS-VQIMIIECSA-N 2 2 385.512 3.535 20 0 GHADLP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000824575891 899694899 /nfs/dbraw/zinc/69/48/99/899694899.db2.gz SZMYELBAHGEFOS-VQIMIIECSA-N 2 2 385.512 3.535 20 0 GHADLP CSc1nc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)cc(N2CCCC2)[nH+]1 ZINC001171091481 900197303 /nfs/dbraw/zinc/19/73/03/900197303.db2.gz RHVZWOUVEBUBQN-AWEZNQCLSA-N 2 2 379.533 3.559 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4[nH]cnc4c3)C[C@H]21 ZINC001137045623 900205449 /nfs/dbraw/zinc/20/54/49/900205449.db2.gz PKKCGIABJZDEMT-KKLQWCBXSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4[nH]cnc4c3)C[C@H]21 ZINC001137045623 900205462 /nfs/dbraw/zinc/20/54/62/900205462.db2.gz PKKCGIABJZDEMT-KKLQWCBXSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4[nH]cnc4c3)C[C@H]21 ZINC001137045623 900205469 /nfs/dbraw/zinc/20/54/69/900205469.db2.gz PKKCGIABJZDEMT-KKLQWCBXSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4[nH]cnc4c3)C[C@H]21 ZINC001137045623 900205479 /nfs/dbraw/zinc/20/54/79/900205479.db2.gz PKKCGIABJZDEMT-KKLQWCBXSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4nc[nH]c4c3)C[C@H]21 ZINC001137045623 900205493 /nfs/dbraw/zinc/20/54/93/900205493.db2.gz PKKCGIABJZDEMT-KKLQWCBXSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4nc[nH]c4c3)C[C@H]21 ZINC001137045623 900205507 /nfs/dbraw/zinc/20/55/07/900205507.db2.gz PKKCGIABJZDEMT-KKLQWCBXSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4nc[nH]c4c3)C[C@H]21 ZINC001137045623 900205519 /nfs/dbraw/zinc/20/55/19/900205519.db2.gz PKKCGIABJZDEMT-KKLQWCBXSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4nc[nH]c4c3)C[C@H]21 ZINC001137045623 900205525 /nfs/dbraw/zinc/20/55/25/900205525.db2.gz PKKCGIABJZDEMT-KKLQWCBXSA-N 2 2 375.520 3.690 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccnc(NC(=O)OC(C)(C)C)c2)C1 ZINC001143700410 900370225 /nfs/dbraw/zinc/37/02/25/900370225.db2.gz ITGFYWHBWQTQQZ-KRWDZBQOSA-N 2 2 384.480 3.785 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccnc(NC(=O)OC(C)(C)C)c2)C1 ZINC001143700410 900370239 /nfs/dbraw/zinc/37/02/39/900370239.db2.gz ITGFYWHBWQTQQZ-KRWDZBQOSA-N 2 2 384.480 3.785 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H](O)c3cc(F)ccc3F)C2)s1 ZINC000844330150 900703053 /nfs/dbraw/zinc/70/30/53/900703053.db2.gz VIHLVROWXMDICI-MGPUTAFESA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H](O)c3cc(F)ccc3F)C2)s1 ZINC000844330150 900703063 /nfs/dbraw/zinc/70/30/63/900703063.db2.gz VIHLVROWXMDICI-MGPUTAFESA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)c3cc(F)ccc3F)C2)s1 ZINC000844330150 900703074 /nfs/dbraw/zinc/70/30/74/900703074.db2.gz VIHLVROWXMDICI-MGPUTAFESA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)c3cc(F)ccc3F)C2)s1 ZINC000844330150 900703084 /nfs/dbraw/zinc/70/30/84/900703084.db2.gz VIHLVROWXMDICI-MGPUTAFESA-N 2 2 380.504 3.822 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1C ZINC000574716256 900977332 /nfs/dbraw/zinc/97/73/32/900977332.db2.gz WFIOXPAHGZBCAH-ICSRJNTNSA-N 2 2 396.535 3.511 20 0 GHADLP COc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)s2)cc1OC ZINC001144068250 901012835 /nfs/dbraw/zinc/01/28/35/901012835.db2.gz SXJDVCMIFSDRDM-QGZVFWFLSA-N 2 2 397.500 3.876 20 0 GHADLP COc1ccc(-c2ncc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)s2)cc1OC ZINC001144068250 901012850 /nfs/dbraw/zinc/01/28/50/901012850.db2.gz SXJDVCMIFSDRDM-QGZVFWFLSA-N 2 2 397.500 3.876 20 0 GHADLP Cc1[nH]c(C2CC[NH+](C[C@H](O)c3cccc(Br)c3)CC2)[nH+]c1C ZINC000886667764 901215045 /nfs/dbraw/zinc/21/50/45/901215045.db2.gz HLDRQRIDQKYEFJ-KRWDZBQOSA-N 2 2 378.314 3.702 20 0 GHADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)cn2)cn1 ZINC000140127078 901470524 /nfs/dbraw/zinc/47/05/24/901470524.db2.gz ASMLYEOMVTVKBO-PKTZIBPZSA-N 2 2 387.531 3.754 20 0 GHADLP c1cn(-c2ccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)cn2)cn1 ZINC000140127078 901470528 /nfs/dbraw/zinc/47/05/28/901470528.db2.gz ASMLYEOMVTVKBO-PKTZIBPZSA-N 2 2 387.531 3.754 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)cn2)cn1 ZINC000140127078 901470533 /nfs/dbraw/zinc/47/05/33/901470533.db2.gz ASMLYEOMVTVKBO-PKTZIBPZSA-N 2 2 387.531 3.754 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)cn2)cn1 ZINC000140127078 901470539 /nfs/dbraw/zinc/47/05/39/901470539.db2.gz ASMLYEOMVTVKBO-PKTZIBPZSA-N 2 2 387.531 3.754 20 0 GHADLP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@H]3CC[NH2+]CC3(F)F)c2c1C ZINC000576135757 901714460 /nfs/dbraw/zinc/71/44/60/901714460.db2.gz ZAXCDPYVKCAMTI-AWEZNQCLSA-N 2 2 395.523 3.561 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000124258703 902044905 /nfs/dbraw/zinc/04/49/05/902044905.db2.gz ZGNGIHGHVZXSGZ-UHFFFAOYSA-N 2 2 375.687 3.804 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000124258703 902044915 /nfs/dbraw/zinc/04/49/15/902044915.db2.gz ZGNGIHGHVZXSGZ-UHFFFAOYSA-N 2 2 375.687 3.804 20 0 GHADLP CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000124894231 902133670 /nfs/dbraw/zinc/13/36/70/902133670.db2.gz FKVIFSZYQDKFCD-YADHBBJMSA-N 2 2 386.584 3.614 20 0 GHADLP CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000124894231 902133682 /nfs/dbraw/zinc/13/36/82/902133682.db2.gz FKVIFSZYQDKFCD-YADHBBJMSA-N 2 2 386.584 3.614 20 0 GHADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576865039 902314022 /nfs/dbraw/zinc/31/40/22/902314022.db2.gz GHPZTDLKTVCHBD-QRVBRYPASA-N 2 2 390.572 3.538 20 0 GHADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576865039 902314034 /nfs/dbraw/zinc/31/40/34/902314034.db2.gz GHPZTDLKTVCHBD-QRVBRYPASA-N 2 2 390.572 3.538 20 0 GHADLP CCCC[NH+](C)C[C@@H](C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576865039 902314042 /nfs/dbraw/zinc/31/40/42/902314042.db2.gz GHPZTDLKTVCHBD-QRVBRYPASA-N 2 2 390.572 3.538 20 0 GHADLP CCCC[NH+](C)C[C@@H](C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576865039 902314050 /nfs/dbraw/zinc/31/40/50/902314050.db2.gz GHPZTDLKTVCHBD-QRVBRYPASA-N 2 2 390.572 3.538 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3ccc4c(c3)COC4)CC2)cc1 ZINC000577036113 902453407 /nfs/dbraw/zinc/45/34/07/902453407.db2.gz YGZIMPAQXJDIRA-KRWDZBQOSA-N 2 2 393.531 3.990 20 0 GHADLP Brc1cnc2c(C[NH+]3CCC(Oc4cc[nH+]cc4)CC3)c[nH]c2c1 ZINC001144695619 902681457 /nfs/dbraw/zinc/68/14/57/902681457.db2.gz UNNJZJJZSVLISG-UHFFFAOYSA-N 2 2 387.281 3.764 20 0 GHADLP C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000128537087 902681650 /nfs/dbraw/zinc/68/16/50/902681650.db2.gz QWZUIUUJRRGRLA-LRXVAGHRSA-N 2 2 393.535 3.592 20 0 GHADLP C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000128537087 902681658 /nfs/dbraw/zinc/68/16/58/902681658.db2.gz QWZUIUUJRRGRLA-LRXVAGHRSA-N 2 2 393.535 3.592 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4cccc5cc[nH]c54)CC[C@@H]3C2)cs1 ZINC001144716992 902699481 /nfs/dbraw/zinc/69/94/81/902699481.db2.gz UDUCBUOCOPKMSB-WIYYLYMNSA-N 2 2 396.560 3.656 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4cccc5cc[nH]c54)CC[C@@H]3C2)cs1 ZINC001144716992 902699489 /nfs/dbraw/zinc/69/94/89/902699489.db2.gz UDUCBUOCOPKMSB-WIYYLYMNSA-N 2 2 396.560 3.656 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4cccc5cc[nH]c54)CC[C@@H]3C2)cs1 ZINC001144716992 902699498 /nfs/dbraw/zinc/69/94/98/902699498.db2.gz UDUCBUOCOPKMSB-WIYYLYMNSA-N 2 2 396.560 3.656 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4cccc5cc[nH]c54)CC[C@@H]3C2)cs1 ZINC001144716992 902699506 /nfs/dbraw/zinc/69/95/06/902699506.db2.gz UDUCBUOCOPKMSB-WIYYLYMNSA-N 2 2 396.560 3.656 20 0 GHADLP COc1ccc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c(Cl)c1OC ZINC000577515489 902836259 /nfs/dbraw/zinc/83/62/59/902836259.db2.gz PIRVNTKCNNQBRR-UHFFFAOYSA-N 2 2 377.897 3.937 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000577596932 902933540 /nfs/dbraw/zinc/93/35/40/902933540.db2.gz ZWNZBTDTBQVSPS-SFHLNBCPSA-N 2 2 382.552 3.806 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846837599 903258420 /nfs/dbraw/zinc/25/84/20/903258420.db2.gz XXJXXSORFHUGGS-UHFFFAOYSA-N 2 2 395.378 3.999 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846837599 903258428 /nfs/dbraw/zinc/25/84/28/903258428.db2.gz XXJXXSORFHUGGS-UHFFFAOYSA-N 2 2 395.378 3.999 20 0 GHADLP C[N@H+](CCN1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1)Cc1ccccc1 ZINC000578579193 903977842 /nfs/dbraw/zinc/97/78/42/903977842.db2.gz MNYRGOVPTXOTCV-YVMONPNESA-N 2 2 385.502 3.728 20 0 GHADLP C[N@@H+](CCN1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1)Cc1ccccc1 ZINC000578579193 903977853 /nfs/dbraw/zinc/97/78/53/903977853.db2.gz MNYRGOVPTXOTCV-YVMONPNESA-N 2 2 385.502 3.728 20 0 GHADLP COc1ccc(C(=O)CC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000578632849 904019144 /nfs/dbraw/zinc/01/91/44/904019144.db2.gz QGFTVXLDBOJPRJ-VXKWHMMOSA-N 2 2 378.516 3.722 20 0 GHADLP COc1ccc(C(=O)CC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000578632849 904019157 /nfs/dbraw/zinc/01/91/57/904019157.db2.gz QGFTVXLDBOJPRJ-VXKWHMMOSA-N 2 2 378.516 3.722 20 0 GHADLP COc1ccc(C(=O)CC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000578632849 904019172 /nfs/dbraw/zinc/01/91/72/904019172.db2.gz QGFTVXLDBOJPRJ-VXKWHMMOSA-N 2 2 378.516 3.722 20 0 GHADLP COc1ccc(C(=O)CC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000578632849 904019187 /nfs/dbraw/zinc/01/91/87/904019187.db2.gz QGFTVXLDBOJPRJ-VXKWHMMOSA-N 2 2 378.516 3.722 20 0 GHADLP COc1ccc(C(=O)CC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000578632847 904019308 /nfs/dbraw/zinc/01/93/08/904019308.db2.gz QGFTVXLDBOJPRJ-FCHUYYIVSA-N 2 2 378.516 3.722 20 0 GHADLP COc1ccc(C(=O)CC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000578632847 904019327 /nfs/dbraw/zinc/01/93/27/904019327.db2.gz QGFTVXLDBOJPRJ-FCHUYYIVSA-N 2 2 378.516 3.722 20 0 GHADLP COc1ccc(C(=O)CC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000578632847 904019340 /nfs/dbraw/zinc/01/93/40/904019340.db2.gz QGFTVXLDBOJPRJ-FCHUYYIVSA-N 2 2 378.516 3.722 20 0 GHADLP COc1ccc(C(=O)CC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000578632847 904019353 /nfs/dbraw/zinc/01/93/53/904019353.db2.gz QGFTVXLDBOJPRJ-FCHUYYIVSA-N 2 2 378.516 3.722 20 0 GHADLP O=C1Nc2ccccc2C12CCC([NH2+]Cc1ccc(-n3cc[nH+]c3)c(F)c1)CC2 ZINC000153675731 904388043 /nfs/dbraw/zinc/38/80/43/904388043.db2.gz UATPHTQSTHJEPX-UHFFFAOYSA-N 2 2 390.462 3.934 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C[C@@H]21 ZINC001171618008 904884576 /nfs/dbraw/zinc/88/45/76/904884576.db2.gz UFCPFIAHGJSXSD-YRXWBPOGSA-N 2 2 379.589 3.827 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C[C@@H]21 ZINC001171618008 904884595 /nfs/dbraw/zinc/88/45/95/904884595.db2.gz UFCPFIAHGJSXSD-YRXWBPOGSA-N 2 2 379.589 3.827 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C[C@@H]21 ZINC001171618008 904884612 /nfs/dbraw/zinc/88/46/12/904884612.db2.gz UFCPFIAHGJSXSD-YRXWBPOGSA-N 2 2 379.589 3.827 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C[C@@H]21 ZINC001171618008 904884627 /nfs/dbraw/zinc/88/46/27/904884627.db2.gz UFCPFIAHGJSXSD-YRXWBPOGSA-N 2 2 379.589 3.827 20 0 GHADLP CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000890243524 904953492 /nfs/dbraw/zinc/95/34/92/904953492.db2.gz NSVANCZMIGHPFB-OAQYLSRUSA-N 2 2 395.551 3.674 20 0 GHADLP C[NH+](C)C[C@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)c1ccc(Cl)cc1 ZINC001186896016 914858591 /nfs/dbraw/zinc/85/85/91/914858591.db2.gz KSOOCVCIFIYURK-HNNXBMFYSA-N 2 2 386.931 3.992 20 0 GHADLP COc1cccc(N2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)n1 ZINC001171987929 905249998 /nfs/dbraw/zinc/24/99/98/905249998.db2.gz MEWSWTJRCYUDFK-NRFANRHFSA-N 2 2 394.563 3.655 20 0 GHADLP COc1cccc(N2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)n1 ZINC001171987929 905250013 /nfs/dbraw/zinc/25/00/13/905250013.db2.gz MEWSWTJRCYUDFK-NRFANRHFSA-N 2 2 394.563 3.655 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC001172088858 905305205 /nfs/dbraw/zinc/30/52/05/905305205.db2.gz NJCLHWDGQOALGH-LFGUQSLTSA-N 2 2 377.573 3.914 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC001172088858 905305220 /nfs/dbraw/zinc/30/52/20/905305220.db2.gz NJCLHWDGQOALGH-LFGUQSLTSA-N 2 2 377.573 3.914 20 0 GHADLP O=C(C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCc2ccccc21 ZINC001172063483 905326957 /nfs/dbraw/zinc/32/69/57/905326957.db2.gz ZSGZQSJQAKZSGO-NUNAXRQHSA-N 2 2 389.543 3.751 20 0 GHADLP O=C(C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCc2ccccc21 ZINC001172063483 905326973 /nfs/dbraw/zinc/32/69/73/905326973.db2.gz ZSGZQSJQAKZSGO-NUNAXRQHSA-N 2 2 389.543 3.751 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC(c3[nH+]cn4cc(Br)ccc34)C1)C2 ZINC001172128606 905339944 /nfs/dbraw/zinc/33/99/44/905339944.db2.gz SQZMWAWQQNFHCS-FVQHAEBGSA-N 2 2 389.341 3.511 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC(c3[nH+]cn4cc(Br)ccc34)C1)C2 ZINC001172128606 905339967 /nfs/dbraw/zinc/33/99/67/905339967.db2.gz SQZMWAWQQNFHCS-FVQHAEBGSA-N 2 2 389.341 3.511 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(c3ncn4cc(Br)ccc34)C1)C2 ZINC001172128606 905339982 /nfs/dbraw/zinc/33/99/82/905339982.db2.gz SQZMWAWQQNFHCS-FVQHAEBGSA-N 2 2 389.341 3.511 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(c3ncn4cc(Br)ccc34)C1)C2 ZINC001172128606 905339998 /nfs/dbraw/zinc/33/99/98/905339998.db2.gz SQZMWAWQQNFHCS-FVQHAEBGSA-N 2 2 389.341 3.511 20 0 GHADLP CC(C)OCC[C@@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC001172436178 905559339 /nfs/dbraw/zinc/55/93/39/905559339.db2.gz ASMDCSWUZKRFLU-VGSWGCGISA-N 2 2 394.519 3.921 20 0 GHADLP CC(C)OCC[C@H](C)[NH2+]C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001172442182 905560798 /nfs/dbraw/zinc/56/07/98/905560798.db2.gz JHCRCNJWENYVMI-URXFXBBRSA-N 2 2 384.564 3.843 20 0 GHADLP CC(C)OCC[C@@H](C)[NH2+]C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001172442184 905561142 /nfs/dbraw/zinc/56/11/42/905561142.db2.gz JHCRCNJWENYVMI-ZJSXRUAMSA-N 2 2 384.564 3.843 20 0 GHADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172529346 905591516 /nfs/dbraw/zinc/59/15/16/905591516.db2.gz XRWXDXONVBIUMP-FUDKSRODSA-N 2 2 383.580 3.734 20 0 GHADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172529346 905591529 /nfs/dbraw/zinc/59/15/29/905591529.db2.gz XRWXDXONVBIUMP-FUDKSRODSA-N 2 2 383.580 3.734 20 0 GHADLP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)CC1 ZINC001172776287 905816343 /nfs/dbraw/zinc/81/63/43/905816343.db2.gz FEQZUQFNNAEZMP-XLIONFOSSA-N 2 2 376.516 3.810 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4ccc(C)cc4C3)CC2)cc1 ZINC001172831777 905861602 /nfs/dbraw/zinc/86/16/02/905861602.db2.gz OUZBJHDIEQFGBZ-XMMPIXPASA-N 2 2 392.543 3.893 20 0 GHADLP C[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc2ccccc2c1 ZINC000177629846 906183855 /nfs/dbraw/zinc/18/38/55/906183855.db2.gz OCQOZWSGRCQDOP-SFHVURJKSA-N 2 2 379.548 3.618 20 0 GHADLP NC(=O)C1([NH2+]C2CCC3(CCCCC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001173115614 906203577 /nfs/dbraw/zinc/20/35/77/906203577.db2.gz GZGSUQVJOMTXAW-UHFFFAOYSA-N 2 2 383.580 3.989 20 0 GHADLP C[C@H]1C[C@H](N(C)C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000177783002 906215198 /nfs/dbraw/zinc/21/51/98/906215198.db2.gz KQWKXAMSRDKXOI-GHTZIAJQSA-N 2 2 391.519 3.529 20 0 GHADLP C[C@H]1C[C@H](N(C)C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000177783002 906215214 /nfs/dbraw/zinc/21/52/14/906215214.db2.gz KQWKXAMSRDKXOI-GHTZIAJQSA-N 2 2 391.519 3.529 20 0 GHADLP c1cn(Cc2noc3c2C[N@@H+](C2CCC(Oc4ccccc4)CC2)CC3)c[nH+]1 ZINC001173202007 906286837 /nfs/dbraw/zinc/28/68/37/906286837.db2.gz MRSAXJWLIRWANM-UHFFFAOYSA-N 2 2 378.476 3.668 20 0 GHADLP c1cn(Cc2noc3c2C[N@H+](C2CCC(Oc4ccccc4)CC2)CC3)c[nH+]1 ZINC001173202007 906286858 /nfs/dbraw/zinc/28/68/58/906286858.db2.gz MRSAXJWLIRWANM-UHFFFAOYSA-N 2 2 378.476 3.668 20 0 GHADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](C1CCC(Oc3ccccc3)CC1)C2 ZINC001173203812 906289266 /nfs/dbraw/zinc/28/92/66/906289266.db2.gz GIRQTLDLKWILAB-UHFFFAOYSA-N 2 2 397.567 3.714 20 0 GHADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](C1CCC(Oc3ccccc3)CC1)C2 ZINC001173203812 906289294 /nfs/dbraw/zinc/28/92/94/906289294.db2.gz GIRQTLDLKWILAB-UHFFFAOYSA-N 2 2 397.567 3.714 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](C1CCC(Oc3ccccc3)CC1)C2 ZINC001173203812 906289304 /nfs/dbraw/zinc/28/93/04/906289304.db2.gz GIRQTLDLKWILAB-UHFFFAOYSA-N 2 2 397.567 3.714 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](C1CCC(Oc3ccccc3)CC1)C2 ZINC001173203812 906289321 /nfs/dbraw/zinc/28/93/21/906289321.db2.gz GIRQTLDLKWILAB-UHFFFAOYSA-N 2 2 397.567 3.714 20 0 GHADLP CCCC[C@H](CC(C)C)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001173256287 906341350 /nfs/dbraw/zinc/34/13/50/906341350.db2.gz PCTXSUSCKWFXHW-WOJBJXKFSA-N 2 2 375.605 3.612 20 0 GHADLP CCCC[C@H](CC(C)C)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001173256287 906341357 /nfs/dbraw/zinc/34/13/57/906341357.db2.gz PCTXSUSCKWFXHW-WOJBJXKFSA-N 2 2 375.605 3.612 20 0 GHADLP COCOC1(c2ccc(Br)cc2)CCC([NH2+][C@H](C)C[NH+](C)C)CC1 ZINC001173558881 906532621 /nfs/dbraw/zinc/53/26/21/906532621.db2.gz DBLXYCVYJDRVEW-VNCLNFNDSA-N 2 2 399.373 3.747 20 0 GHADLP CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000179702537 906567746 /nfs/dbraw/zinc/56/77/46/906567746.db2.gz VMKLUBUVDOXFRB-NRFANRHFSA-N 2 2 398.576 3.652 20 0 GHADLP CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000179702537 906567755 /nfs/dbraw/zinc/56/77/55/906567755.db2.gz VMKLUBUVDOXFRB-NRFANRHFSA-N 2 2 398.576 3.652 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)C1 ZINC001173652526 906637774 /nfs/dbraw/zinc/63/77/74/906637774.db2.gz REQOMFYOADMYOA-DYESRHJHSA-N 2 2 376.516 3.810 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1nc2ccccc2n1C ZINC000180096068 906687968 /nfs/dbraw/zinc/68/79/68/906687968.db2.gz TWVZBGQOOFZUJU-DLBZAZTESA-N 2 2 395.526 3.876 20 0 GHADLP CS(=O)(=O)Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180158330 906703959 /nfs/dbraw/zinc/70/39/59/906703959.db2.gz XJPAFBRUPBBLDL-NOTZXAQLSA-N 2 2 398.572 3.516 20 0 GHADLP CS(=O)(=O)Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180158330 906703964 /nfs/dbraw/zinc/70/39/64/906703964.db2.gz XJPAFBRUPBBLDL-NOTZXAQLSA-N 2 2 398.572 3.516 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000181075102 906909128 /nfs/dbraw/zinc/90/91/28/906909128.db2.gz UINHNSBHKPFTMB-UHFFFAOYSA-N 2 2 386.297 3.625 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000181075102 906909131 /nfs/dbraw/zinc/90/91/31/906909131.db2.gz UINHNSBHKPFTMB-UHFFFAOYSA-N 2 2 386.297 3.625 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000181589702 907032989 /nfs/dbraw/zinc/03/29/89/907032989.db2.gz QIYPOEGNZNFLQS-UXHICEINSA-N 3 2 396.579 3.898 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000181588052 907033481 /nfs/dbraw/zinc/03/34/81/907033481.db2.gz BIYWKKCINXLQNH-MSOLQXFVSA-N 2 2 394.519 3.914 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182243785 907168180 /nfs/dbraw/zinc/16/81/80/907168180.db2.gz WMONDHSPMMAEEE-NTKDMRAZSA-N 3 2 390.531 3.680 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182243785 907168189 /nfs/dbraw/zinc/16/81/89/907168189.db2.gz WMONDHSPMMAEEE-NTKDMRAZSA-N 3 2 390.531 3.680 20 0 GHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCCn2ccnc2)CC1 ZINC000182977762 907305628 /nfs/dbraw/zinc/30/56/28/907305628.db2.gz ZVFSZXLVRKPEMS-UHFFFAOYSA-N 2 2 380.458 3.888 20 0 GHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCCn2ccnc2)CC1 ZINC000182977762 907305640 /nfs/dbraw/zinc/30/56/40/907305640.db2.gz ZVFSZXLVRKPEMS-UHFFFAOYSA-N 2 2 380.458 3.888 20 0 GHADLP Cc1nc(NC2=CC[N@H+](Cc3ccccc3)CC2)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001175505081 907592010 /nfs/dbraw/zinc/59/20/10/907592010.db2.gz NQNDEYVDMJBDJO-QZTJIDSGSA-N 2 2 393.535 3.600 20 0 GHADLP Cc1nc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001175505081 907592020 /nfs/dbraw/zinc/59/20/20/907592020.db2.gz NQNDEYVDMJBDJO-QZTJIDSGSA-N 2 2 393.535 3.600 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000631336792 907677064 /nfs/dbraw/zinc/67/70/64/907677064.db2.gz IAGOICYYIBICJX-IBGZPJMESA-N 2 2 388.515 3.757 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1cccs1 ZINC000631475223 907725012 /nfs/dbraw/zinc/72/50/12/907725012.db2.gz JHTGYDFYVALRFT-AVRDEDQJSA-N 2 2 394.544 3.676 20 0 GHADLP C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1cccs1 ZINC000631475223 907725023 /nfs/dbraw/zinc/72/50/23/907725023.db2.gz JHTGYDFYVALRFT-AVRDEDQJSA-N 2 2 394.544 3.676 20 0 GHADLP Cc1cc(Nc2ccc[nH+]c2N2CCC(NC(=O)OC(C)(C)C)CC2)cc(C)[nH+]1 ZINC001176053948 907918988 /nfs/dbraw/zinc/91/89/88/907918988.db2.gz MKPYCSUOXPPSGV-UHFFFAOYSA-N 2 2 397.523 3.752 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ncc(Br)cc1F ZINC000187117825 908040537 /nfs/dbraw/zinc/04/05/37/908040537.db2.gz XIVDRGGMKXYXGH-CYBMUJFWSA-N 2 2 396.304 3.774 20 0 GHADLP Cc1oc(-c2ccccc2)c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000189195443 908294848 /nfs/dbraw/zinc/29/48/48/908294848.db2.gz JKQNDMWZHDBXGY-UHFFFAOYSA-N 2 2 395.547 3.852 20 0 GHADLP C[C@H]1CC[C@](CO)([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc21 ZINC001176933412 908308692 /nfs/dbraw/zinc/30/86/92/908308692.db2.gz WZUYGRMOBHZABC-SQJMNOBHSA-N 2 2 393.575 3.573 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189352049 908311455 /nfs/dbraw/zinc/31/14/55/908311455.db2.gz UKVVAQCIEPRLTE-GOSISDBHSA-N 2 2 393.510 3.781 20 0 GHADLP COc1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c(SC)cc1OC ZINC001177244823 908483942 /nfs/dbraw/zinc/48/39/42/908483942.db2.gz HFXIKTCRFPXQKM-UHFFFAOYSA-N 2 2 386.561 3.964 20 0 GHADLP COc1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c(SC)cc1OC ZINC001177244823 908483952 /nfs/dbraw/zinc/48/39/52/908483952.db2.gz HFXIKTCRFPXQKM-UHFFFAOYSA-N 2 2 386.561 3.964 20 0 GHADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)c(C)cc2Br)C1 ZINC001177318941 908524205 /nfs/dbraw/zinc/52/42/05/908524205.db2.gz LOZSYEDJYSSVHA-LBPRGKRZSA-N 2 2 390.163 3.951 20 0 GHADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)c(C)cc2Br)C1 ZINC001177318941 908524213 /nfs/dbraw/zinc/52/42/13/908524213.db2.gz LOZSYEDJYSSVHA-LBPRGKRZSA-N 2 2 390.163 3.951 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)CC1 ZINC000191491341 908631173 /nfs/dbraw/zinc/63/11/73/908631173.db2.gz MREFQKSNZXTWKM-RXVVDRJESA-N 2 2 379.976 3.518 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)CC1 ZINC000191491341 908631180 /nfs/dbraw/zinc/63/11/80/908631180.db2.gz MREFQKSNZXTWKM-RXVVDRJESA-N 2 2 379.976 3.518 20 0 GHADLP c1ccc2c(c1)cccc2CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001177769894 908748462 /nfs/dbraw/zinc/74/84/62/908748462.db2.gz SEIVTJVSOYNZGU-UHFFFAOYSA-N 2 2 390.527 3.883 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCc4cc(C(C)(C)C)ccc43)CC2)CC1 ZINC000195467594 909011240 /nfs/dbraw/zinc/01/12/40/909011240.db2.gz GTKLJNRFQZDBIN-UHFFFAOYSA-N 2 2 398.595 3.615 20 0 GHADLP O=C(Nc1cccc2[nH+]ccn21)[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1c1ccccc1 ZINC001178328718 909018607 /nfs/dbraw/zinc/01/86/07/909018607.db2.gz HGRXUEKVMXUBOP-LEWJYISDSA-N 2 2 397.482 3.584 20 0 GHADLP O=C(Nc1cccc2[nH+]ccn21)[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1c1ccccc1 ZINC001178328718 909018620 /nfs/dbraw/zinc/01/86/20/909018620.db2.gz HGRXUEKVMXUBOP-LEWJYISDSA-N 2 2 397.482 3.584 20 0 GHADLP Oc1cccc2c1C[C@H]([NH2+]Cc1ccc(OCCn3cc[nH+]c3)c(Cl)c1)C2 ZINC001178488246 909078010 /nfs/dbraw/zinc/07/80/10/909078010.db2.gz QVXMSAPFTWYBAC-QGZVFWFLSA-N 2 2 383.879 3.578 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC[N@@H+]3CCCC(C)(C)C3)C[C@H]2C1 ZINC001178581712 909105499 /nfs/dbraw/zinc/10/54/99/909105499.db2.gz XMSSZKCQKIMXJT-GBESFXJTSA-N 2 2 379.589 3.734 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC[N@H+]3CCCC(C)(C)C3)C[C@H]2C1 ZINC001178581712 909105506 /nfs/dbraw/zinc/10/55/06/909105506.db2.gz XMSSZKCQKIMXJT-GBESFXJTSA-N 2 2 379.589 3.734 20 0 GHADLP C[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000266749060 909286330 /nfs/dbraw/zinc/28/63/30/909286330.db2.gz DIXKTMJJVOYFMT-GOSISDBHSA-N 2 2 381.524 3.593 20 0 GHADLP COc1ccccc1C1([NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)CC1 ZINC001179006562 909355123 /nfs/dbraw/zinc/35/51/23/909355123.db2.gz JSGNLIOBLWPOLE-UHFFFAOYSA-N 2 2 390.430 3.857 20 0 GHADLP C[NH+](C)CCCCCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245805501 909933353 /nfs/dbraw/zinc/93/33/53/909933353.db2.gz PWFLLTWEXBTWCH-WOJBJXKFSA-N 2 2 396.526 3.521 20 0 GHADLP C[NH+](C)CCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245805501 909933363 /nfs/dbraw/zinc/93/33/63/909933363.db2.gz PWFLLTWEXBTWCH-WOJBJXKFSA-N 2 2 396.526 3.521 20 0 GHADLP C[N@H+](C[C@H]1CCN(c2ccccc2)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000637983975 910020185 /nfs/dbraw/zinc/02/01/85/910020185.db2.gz WIGHKQMYXLLYBF-OAQYLSRUSA-N 2 2 378.564 3.547 20 0 GHADLP C[N@@H+](C[C@H]1CCN(c2ccccc2)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000637983975 910020201 /nfs/dbraw/zinc/02/02/01/910020201.db2.gz WIGHKQMYXLLYBF-OAQYLSRUSA-N 2 2 378.564 3.547 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C(F)F)nc1 ZINC000638136895 910061077 /nfs/dbraw/zinc/06/10/77/910061077.db2.gz OXFZFUORYXJGLD-UHFFFAOYSA-N 3 2 380.527 3.647 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C(F)F)nc1 ZINC000638136895 910061093 /nfs/dbraw/zinc/06/10/93/910061093.db2.gz OXFZFUORYXJGLD-UHFFFAOYSA-N 3 2 380.527 3.647 20 0 GHADLP C[C@]1(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CCC[NH2+]C1 ZINC000269328511 910219929 /nfs/dbraw/zinc/21/99/29/910219929.db2.gz CDFQFLFUQKCOKR-DEOSSOPVSA-N 2 2 388.515 3.604 20 0 GHADLP Cn1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c(C(F)(F)F)n1 ZINC000638790575 910237907 /nfs/dbraw/zinc/23/79/07/910237907.db2.gz IZTBPMVUYAUTLN-AEFFLSMTSA-N 2 2 378.442 3.897 20 0 GHADLP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c(C(F)(F)F)n1 ZINC000638790575 910237919 /nfs/dbraw/zinc/23/79/19/910237919.db2.gz IZTBPMVUYAUTLN-AEFFLSMTSA-N 2 2 378.442 3.897 20 0 GHADLP c1coc([C@H]2C[NH+](CCCCCC[N@@H+]3CCO[C@@H](c4ccco4)C3)CCO2)c1 ZINC000246338410 910243039 /nfs/dbraw/zinc/24/30/39/910243039.db2.gz FAVVUBAOVOCNCS-FGZHOGPDSA-N 2 2 388.508 3.880 20 0 GHADLP c1coc([C@H]2C[NH+](CCCCCC[N@H+]3CCO[C@@H](c4ccco4)C3)CCO2)c1 ZINC000246338410 910243057 /nfs/dbraw/zinc/24/30/57/910243057.db2.gz FAVVUBAOVOCNCS-FGZHOGPDSA-N 2 2 388.508 3.880 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1COc2ccccc2C1 ZINC001180886337 910390450 /nfs/dbraw/zinc/39/04/50/910390450.db2.gz YWQYQNSWVLSBKJ-PMOQBDJRSA-N 2 2 380.532 3.507 20 0 GHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1COc2ccccc2C1 ZINC001180886337 910390465 /nfs/dbraw/zinc/39/04/65/910390465.db2.gz YWQYQNSWVLSBKJ-PMOQBDJRSA-N 2 2 380.532 3.507 20 0 GHADLP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001181244432 910625184 /nfs/dbraw/zinc/62/51/84/910625184.db2.gz SNQMVZAJXNXOFR-IBGZPJMESA-N 2 2 399.579 3.943 20 0 GHADLP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001181244432 910625195 /nfs/dbraw/zinc/62/51/95/910625195.db2.gz SNQMVZAJXNXOFR-IBGZPJMESA-N 2 2 399.579 3.943 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2cc(C[NH+](C)C)ccn2)c(C)c1 ZINC000640568065 911069191 /nfs/dbraw/zinc/06/91/91/911069191.db2.gz OCJXIEHUOVBCTC-HXUWFJFHSA-N 2 2 392.507 3.520 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1Cc2ccccc2C[C@H]1C[NH3+])c1ccccc1Cl ZINC001182223169 911317039 /nfs/dbraw/zinc/31/70/39/911317039.db2.gz QSUGVMZVANHWHC-RXVVDRJESA-N 2 2 385.939 3.635 20 0 GHADLP Brc1cncc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)c1 ZINC000284250654 911803307 /nfs/dbraw/zinc/80/33/07/911803307.db2.gz FREYUWAKOYJQDD-LJQANCHMSA-N 2 2 387.325 3.949 20 0 GHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000642343430 912003013 /nfs/dbraw/zinc/00/30/13/912003013.db2.gz RMPPGFCHOZHBFG-SMDDNHRTSA-N 2 2 381.320 3.933 20 0 GHADLP CC[N@H+](CCC[NH2+]Cc1c(NC(=O)OC(C)(C)C)cnn1C)C1CCCCC1 ZINC001182743334 912020098 /nfs/dbraw/zinc/02/00/98/912020098.db2.gz OYQURNHFXBVIDA-UHFFFAOYSA-N 2 2 393.576 3.901 20 0 GHADLP CC[N@@H+](CCC[NH2+]Cc1c(NC(=O)OC(C)(C)C)cnn1C)C1CCCCC1 ZINC001182743334 912020113 /nfs/dbraw/zinc/02/01/13/912020113.db2.gz OYQURNHFXBVIDA-UHFFFAOYSA-N 2 2 393.576 3.901 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(=O)oc2cc(O)ccc12 ZINC000248397700 912054931 /nfs/dbraw/zinc/05/49/31/912054931.db2.gz LYCQXRRDYJNCAF-CZKAHXPPSA-N 2 2 392.499 3.745 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(=O)oc2cc(O)ccc12 ZINC000248397700 912054961 /nfs/dbraw/zinc/05/49/61/912054961.db2.gz LYCQXRRDYJNCAF-CZKAHXPPSA-N 2 2 392.499 3.745 20 0 GHADLP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NCc1[nH+]cn2ccccc12 ZINC001182939533 912170577 /nfs/dbraw/zinc/17/05/77/912170577.db2.gz NLFSUEJHVDDZJC-UHFFFAOYSA-N 2 2 384.483 3.653 20 0 GHADLP CC(C)C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccncc1 ZINC000647284875 915135233 /nfs/dbraw/zinc/13/52/33/915135233.db2.gz NZDQTEAGFKPVBS-QHCPKHFHSA-N 2 2 383.536 3.670 20 0 GHADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000647881191 915425790 /nfs/dbraw/zinc/42/57/90/915425790.db2.gz PIUSSDPYZOXYFU-UFYCRDLUSA-N 2 2 389.337 3.517 20 0 GHADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000647881191 915425802 /nfs/dbraw/zinc/42/58/02/915425802.db2.gz PIUSSDPYZOXYFU-UFYCRDLUSA-N 2 2 389.337 3.517 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2c(=O)[nH]1 ZINC000647933766 915442753 /nfs/dbraw/zinc/44/27/53/915442753.db2.gz IYDWCMBBPXVSLL-NQIIRXRSSA-N 2 2 376.504 3.508 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2c(=O)[nH]1 ZINC000647933766 915442766 /nfs/dbraw/zinc/44/27/66/915442766.db2.gz IYDWCMBBPXVSLL-NQIIRXRSSA-N 2 2 376.504 3.508 20 0 GHADLP C[C@@H](C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000648462548 915707698 /nfs/dbraw/zinc/70/76/98/915707698.db2.gz JJDBUXWFJUTPFE-LAUBAEHRSA-N 2 2 397.544 3.501 20 0 GHADLP C[C@H](C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000648462549 915708281 /nfs/dbraw/zinc/70/82/81/915708281.db2.gz JJDBUXWFJUTPFE-UTKZUKDTSA-N 2 2 397.544 3.501 20 0 GHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC000648892006 915927667 /nfs/dbraw/zinc/92/76/67/915927667.db2.gz JLTAZHCVQNGKEF-RBUKOAKNSA-N 2 2 398.551 3.528 20 0 GHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC000648892006 915927681 /nfs/dbraw/zinc/92/76/81/915927681.db2.gz JLTAZHCVQNGKEF-RBUKOAKNSA-N 2 2 398.551 3.528 20 0 GHADLP COc1ccc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(Cl)c1OC ZINC000293034144 915966113 /nfs/dbraw/zinc/96/61/13/915966113.db2.gz AIVLBXSQZGECCS-UHFFFAOYSA-N 2 2 375.900 3.553 20 0 GHADLP C[C@H]1C[C@@H]1c1noc(CC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000649780551 916397374 /nfs/dbraw/zinc/39/73/74/916397374.db2.gz CPTBPPXAMDZBDI-JXFKEZNVSA-N 2 2 377.492 3.833 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc2ccc(F)cc2o1 ZINC000361756942 916891915 /nfs/dbraw/zinc/89/19/15/916891915.db2.gz SRUATINEUZWVDR-UHFFFAOYSA-N 3 2 388.531 3.595 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc2ccc(F)cc2o1 ZINC000361756942 916891921 /nfs/dbraw/zinc/89/19/21/916891921.db2.gz SRUATINEUZWVDR-UHFFFAOYSA-N 3 2 388.531 3.595 20 0 GHADLP CC[NH+]1CCC(CC2CCN(C(=O)c3ccccc3-n3cc[nH+]c3)CC2)CC1 ZINC001190096636 917092050 /nfs/dbraw/zinc/09/20/50/917092050.db2.gz IGBODLGCKZGSLA-UHFFFAOYSA-N 2 2 380.536 3.847 20 0 GHADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)ccc1OC ZINC000775368664 917183319 /nfs/dbraw/zinc/18/33/19/917183319.db2.gz DGBOTNLWTKLPJY-SFHVURJKSA-N 3 2 384.568 3.963 20 0 GHADLP CCO[C@@H]1C[N@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C[C@H]1C[NH3+] ZINC000650714689 917246499 /nfs/dbraw/zinc/24/64/99/917246499.db2.gz YQFZHPUOIWIKKU-DNVCBOLYSA-N 2 2 390.959 3.754 20 0 GHADLP CCO[C@@H]1C[N@@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C[C@H]1C[NH3+] ZINC000650714689 917246504 /nfs/dbraw/zinc/24/65/04/917246504.db2.gz YQFZHPUOIWIKKU-DNVCBOLYSA-N 2 2 390.959 3.754 20 0 GHADLP CCCCC[N@H+](CCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)Cc1ccccc1 ZINC000651223311 917531876 /nfs/dbraw/zinc/53/18/76/917531876.db2.gz AXSJXRQRPWUQKO-NRFANRHFSA-N 2 2 397.567 3.611 20 0 GHADLP CCCCC[N@@H+](CCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)Cc1ccccc1 ZINC000651223311 917531882 /nfs/dbraw/zinc/53/18/82/917531882.db2.gz AXSJXRQRPWUQKO-NRFANRHFSA-N 2 2 397.567 3.611 20 0 GHADLP C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC001191079407 917744032 /nfs/dbraw/zinc/74/40/32/917744032.db2.gz YCVYXZHBZWBOEO-ZHALLVOQSA-N 2 2 390.597 3.967 20 0 GHADLP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC001191079407 917744039 /nfs/dbraw/zinc/74/40/39/917744039.db2.gz YCVYXZHBZWBOEO-ZHALLVOQSA-N 2 2 390.597 3.967 20 0 GHADLP CCS(=O)(=O)CCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000365068317 920353335 /nfs/dbraw/zinc/35/33/35/920353335.db2.gz WCGBNQGFFPZXGA-JOCHJYFZSA-N 2 2 392.609 3.580 20 0 GHADLP CCS(=O)(=O)CCCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000365068317 920353351 /nfs/dbraw/zinc/35/33/51/920353351.db2.gz WCGBNQGFFPZXGA-JOCHJYFZSA-N 2 2 392.609 3.580 20 0 GHADLP CCS(=O)(=O)CCCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000365068317 920353369 /nfs/dbraw/zinc/35/33/69/920353369.db2.gz WCGBNQGFFPZXGA-JOCHJYFZSA-N 2 2 392.609 3.580 20 0 GHADLP CCS(=O)(=O)CCCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000365068317 920353387 /nfs/dbraw/zinc/35/33/87/920353387.db2.gz WCGBNQGFFPZXGA-JOCHJYFZSA-N 2 2 392.609 3.580 20 0 GHADLP Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000298608708 920719514 /nfs/dbraw/zinc/71/95/14/920719514.db2.gz ZURGPGRHJSLNTD-UHFFFAOYSA-N 2 2 396.560 3.704 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902794316 922503209 /nfs/dbraw/zinc/50/32/09/922503209.db2.gz VMGFOQXDYYRNAG-IBGZPJMESA-N 3 2 390.531 3.680 20 0 GHADLP CC(C)(C)OC(=O)NCCC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000902993672 922694492 /nfs/dbraw/zinc/69/44/92/922694492.db2.gz VLDITXQQRLRDET-ZWKOTPCHSA-N 2 2 384.524 3.903 20 0 GHADLP O=C1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000903117243 922786731 /nfs/dbraw/zinc/78/67/31/922786731.db2.gz DRMMHIOKPLQWFU-JVPQYHMTSA-N 2 2 393.453 3.558 20 0 GHADLP O=C1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000903117243 922786743 /nfs/dbraw/zinc/78/67/43/922786743.db2.gz DRMMHIOKPLQWFU-JVPQYHMTSA-N 2 2 393.453 3.558 20 0 GHADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2csc(CC(=O)Nc3ccccc3)n2)CCC1 ZINC000903813253 923309637 /nfs/dbraw/zinc/30/96/37/923309637.db2.gz ZNBFZDWLQCMEDU-LJQANCHMSA-N 2 2 398.576 3.808 20 0 GHADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2csc(CC(=O)Nc3ccccc3)n2)CCC1 ZINC000903813253 923309648 /nfs/dbraw/zinc/30/96/48/923309648.db2.gz ZNBFZDWLQCMEDU-LJQANCHMSA-N 2 2 398.576 3.808 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]C[C@H]3CCOc4ccccc43)CC2)cc1 ZINC000676901458 924138326 /nfs/dbraw/zinc/13/83/26/924138326.db2.gz ZITNLCAOEYFRRP-HSZRJFAPSA-N 2 2 393.575 3.740 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3coc(-c4cccc(Cl)c4)n3)C2)CC1 ZINC000371106088 924430248 /nfs/dbraw/zinc/43/02/48/924430248.db2.gz CTVJPMUVQYOBRL-HXUWFJFHSA-N 2 2 388.943 3.595 20 0 GHADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(OCc4cccc(F)c4)cc3)CC2)C1 ZINC000678258795 924692291 /nfs/dbraw/zinc/69/22/91/924692291.db2.gz NKKJKKQKCCIFOC-QHCPKHFHSA-N 2 2 397.538 3.617 20 0 GHADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(OCc4cccc(F)c4)cc3)CC2)C1 ZINC000678258795 924692294 /nfs/dbraw/zinc/69/22/94/924692294.db2.gz NKKJKKQKCCIFOC-QHCPKHFHSA-N 2 2 397.538 3.617 20 0 GHADLP C[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Cc1ccc(Cl)cc1 ZINC000678480881 924793201 /nfs/dbraw/zinc/79/32/01/924793201.db2.gz RUMXKQBUSOVZAD-UWJYYQICSA-N 2 2 391.987 3.536 20 0 GHADLP C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Cc1ccc(Cl)cc1 ZINC000678480881 924793207 /nfs/dbraw/zinc/79/32/07/924793207.db2.gz RUMXKQBUSOVZAD-UWJYYQICSA-N 2 2 391.987 3.536 20 0 GHADLP O[C@H]([C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000678992131 924992514 /nfs/dbraw/zinc/99/25/14/924992514.db2.gz CANDQKRJRUFGQC-NHCUHLMSSA-N 2 2 392.465 3.775 20 0 GHADLP O=C1[C@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000679217218 925069255 /nfs/dbraw/zinc/06/92/55/925069255.db2.gz WBKJZPWQHZFXRS-BLLLJJGKSA-N 2 2 379.291 3.701 20 0 GHADLP O=C1[C@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000679217218 925069264 /nfs/dbraw/zinc/06/92/64/925069264.db2.gz WBKJZPWQHZFXRS-BLLLJJGKSA-N 2 2 379.291 3.701 20 0 GHADLP CC(C)(C)[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc2ccccc2o1 ZINC000679387143 925118949 /nfs/dbraw/zinc/11/89/49/925118949.db2.gz YBEXFPQKRCJYLS-KNQAVFIVSA-N 2 2 385.552 3.516 20 0 GHADLP CN(C(=O)[C@@H]1CCCC(F)(F)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000409960752 925185789 /nfs/dbraw/zinc/18/57/89/925185789.db2.gz YASXXXLFXKWZIR-QRQLOZEOSA-N 2 2 385.543 3.608 20 0 GHADLP CN(C(=O)[C@@H]1CCCC(F)(F)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000409960752 925185795 /nfs/dbraw/zinc/18/57/95/925185795.db2.gz YASXXXLFXKWZIR-QRQLOZEOSA-N 2 2 385.543 3.608 20 0 GHADLP COc1cc(-c2ccccc2)ccc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000679728894 925250756 /nfs/dbraw/zinc/25/07/56/925250756.db2.gz ZAEBYJJBENYJCF-QHCPKHFHSA-N 2 2 379.548 3.574 20 0 GHADLP COc1cc(-c2ccccc2)ccc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000679728894 925250765 /nfs/dbraw/zinc/25/07/65/925250765.db2.gz ZAEBYJJBENYJCF-QHCPKHFHSA-N 2 2 379.548 3.574 20 0 GHADLP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c(N2CCCC2)n1 ZINC000679841170 925279680 /nfs/dbraw/zinc/27/96/80/925279680.db2.gz SJUMUTCVFHOLGD-UHFFFAOYSA-N 2 2 396.554 3.926 20 0 GHADLP CC(C)c1ccccc1OC[C@@H](O)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372573844 925548122 /nfs/dbraw/zinc/54/81/22/925548122.db2.gz MXSOOMCAUFNCRY-HFMPRLQTSA-N 2 2 397.563 3.570 20 0 GHADLP CC(C)c1ccccc1OC[C@@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372573844 925548130 /nfs/dbraw/zinc/54/81/30/925548130.db2.gz MXSOOMCAUFNCRY-HFMPRLQTSA-N 2 2 397.563 3.570 20 0 GHADLP CC(C)c1ccccc1OC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372573844 925548137 /nfs/dbraw/zinc/54/81/37/925548137.db2.gz MXSOOMCAUFNCRY-HFMPRLQTSA-N 2 2 397.563 3.570 20 0 GHADLP CC(C)c1ccccc1OC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372573844 925548145 /nfs/dbraw/zinc/54/81/45/925548145.db2.gz MXSOOMCAUFNCRY-HFMPRLQTSA-N 2 2 397.563 3.570 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)c1cccc(C(F)(F)F)c1 ZINC000681099828 925723914 /nfs/dbraw/zinc/72/39/14/925723914.db2.gz MOGWDENPBWJTCH-MRXNPFEDSA-N 2 2 391.397 3.778 20 0 GHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C3CCN(c4nccs4)CC3)C2)CC1 ZINC000373493893 926191993 /nfs/dbraw/zinc/19/19/93/926191993.db2.gz JGIBVICRDQOLOF-UHFFFAOYSA-N 2 2 388.503 3.507 20 0 GHADLP Cc1noc([C@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)C2CCOCC2)n1 ZINC000411710131 926681091 /nfs/dbraw/zinc/68/10/91/926681091.db2.gz NIZOFQXTXWQDRJ-OAQYLSRUSA-N 2 2 384.524 3.621 20 0 GHADLP CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000412208865 927210462 /nfs/dbraw/zinc/21/04/62/927210462.db2.gz FCMRFGVPLHWHHH-ACESQOTJSA-N 2 2 383.580 3.586 20 0 GHADLP CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000412208865 927210470 /nfs/dbraw/zinc/21/04/70/927210470.db2.gz FCMRFGVPLHWHHH-ACESQOTJSA-N 2 2 383.580 3.586 20 0 GHADLP Cc1ccc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c(N(C)C)[nH+]1 ZINC000750397983 927601505 /nfs/dbraw/zinc/60/15/05/927601505.db2.gz CSQNNTZKIOIOHG-UHFFFAOYSA-N 2 2 395.551 3.628 20 0 GHADLP Cc1ccc(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c(N(C)C)[nH+]1 ZINC000750397983 927601513 /nfs/dbraw/zinc/60/15/13/927601513.db2.gz CSQNNTZKIOIOHG-UHFFFAOYSA-N 2 2 395.551 3.628 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543990234 928656444 /nfs/dbraw/zinc/65/64/44/928656444.db2.gz XCEMAMIRVCYAHN-FQEVSTJZSA-N 2 2 382.552 3.731 20 0 GHADLP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543993488 928660861 /nfs/dbraw/zinc/66/08/61/928660861.db2.gz QURFTFSWJOSJCQ-MOPGFXCFSA-N 2 2 398.551 3.650 20 0 GHADLP CCS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000467422058 929054698 /nfs/dbraw/zinc/05/46/98/929054698.db2.gz ZONDDTUNWONBJQ-DKUWSORSSA-N 2 2 398.572 3.765 20 0 GHADLP CCS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000467422058 929054710 /nfs/dbraw/zinc/05/47/10/929054710.db2.gz ZONDDTUNWONBJQ-DKUWSORSSA-N 2 2 398.572 3.765 20 0 GHADLP C[C@H](C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000469397742 929848331 /nfs/dbraw/zinc/84/83/31/929848331.db2.gz OMCWWPJUMWWIAK-TXTKFYIRSA-N 2 2 394.563 3.636 20 0 GHADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(Br)c3OC(F)F)C[C@H]21 ZINC000469892451 930239054 /nfs/dbraw/zinc/23/90/54/930239054.db2.gz ZFQXTFYCHDNJJC-MPKXVKKWSA-N 2 2 375.257 3.610 20 0 GHADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(Br)c3OC(F)F)C[C@H]21 ZINC000469892451 930239065 /nfs/dbraw/zinc/23/90/65/930239065.db2.gz ZFQXTFYCHDNJJC-MPKXVKKWSA-N 2 2 375.257 3.610 20 0 GHADLP CN(C(=O)c1cc(Cl)cs1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000759082436 930267427 /nfs/dbraw/zinc/26/74/27/930267427.db2.gz DHXHACDGGPLJLU-IRXDYDNUSA-N 2 2 383.989 3.811 20 0 GHADLP CN(C(=O)c1cc(Cl)cs1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000759082436 930267428 /nfs/dbraw/zinc/26/74/28/930267428.db2.gz DHXHACDGGPLJLU-IRXDYDNUSA-N 2 2 383.989 3.811 20 0 GHADLP C[C@@H]1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000759576315 930409937 /nfs/dbraw/zinc/40/99/37/930409937.db2.gz SJSHJQRJZCSAND-WIYYLYMNSA-N 2 2 387.572 3.520 20 0 GHADLP C[C@@H]1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000759576311 930410041 /nfs/dbraw/zinc/41/00/41/930410041.db2.gz SJSHJQRJZCSAND-NQIIRXRSSA-N 2 2 387.572 3.520 20 0 GHADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@H](Cc2ccccc2)OC1=O ZINC000781141303 930713853 /nfs/dbraw/zinc/71/38/53/930713853.db2.gz GSPDOPGXUDDYCI-JOCHJYFZSA-N 2 2 381.520 3.591 20 0 GHADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@H](Cc2ccccc2)OC1=O ZINC000781141303 930713857 /nfs/dbraw/zinc/71/38/57/930713857.db2.gz GSPDOPGXUDDYCI-JOCHJYFZSA-N 2 2 381.520 3.591 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000547509419 931080344 /nfs/dbraw/zinc/08/03/44/931080344.db2.gz VFJRKAPWWNAWHE-DUXKGJEZSA-N 2 2 397.950 3.946 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000547509419 931080354 /nfs/dbraw/zinc/08/03/54/931080354.db2.gz VFJRKAPWWNAWHE-DUXKGJEZSA-N 2 2 397.950 3.946 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000782546912 931264976 /nfs/dbraw/zinc/26/49/76/931264976.db2.gz LSQNKEGUUZSFBV-GJZGRUSLSA-N 2 2 376.526 3.859 20 0 GHADLP Fc1cccc(Br)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000557202845 931268993 /nfs/dbraw/zinc/26/89/93/931268993.db2.gz BOHUFCHHZJHRDF-UHFFFAOYSA-N 2 2 385.321 3.523 20 0 GHADLP O=C1C[C@@H](c2ccc(Cl)cc2)N1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782943204 931371130 /nfs/dbraw/zinc/37/11/30/931371130.db2.gz PVYKYFJVSLNAKA-FQEVSTJZSA-N 2 2 386.927 3.960 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)c1ccccc1Cl ZINC000557434541 931425081 /nfs/dbraw/zinc/42/50/81/931425081.db2.gz ZTSBGDKWUUKAMB-UZLBHIALSA-N 2 2 388.943 3.607 20 0 GHADLP C[NH+]1CCN(CCC[NH2+][C@H](c2cccnc2)c2ccc(Cl)cc2Cl)CC1 ZINC000924578686 931427275 /nfs/dbraw/zinc/42/72/75/931427275.db2.gz PABFFWAOHQTIHC-HXUWFJFHSA-N 2 2 393.362 3.705 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1coc2ccccc21 ZINC000924678480 931471322 /nfs/dbraw/zinc/47/13/22/931471322.db2.gz GDVZJOSHUBSVMX-QGZVFWFLSA-N 2 2 377.488 3.671 20 0 GHADLP CCOc1cc(N2CCOC(C)(C)C2)ccc1[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000783310444 931517365 /nfs/dbraw/zinc/51/73/65/931517365.db2.gz PJWWKGZZDLEKAY-KRWDZBQOSA-N 2 2 375.557 3.843 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H]2CCCN(c3ccc(F)cc3C)C2=O)CC1 ZINC000558476915 932024840 /nfs/dbraw/zinc/02/48/40/932024840.db2.gz ZYXKAHOMAUFUAQ-NRFANRHFSA-N 2 2 397.494 3.876 20 0 GHADLP COC(=O)c1csc([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000796788846 932068381 /nfs/dbraw/zinc/06/83/81/932068381.db2.gz SHMZMMDFOMWFHF-OAHLLOKOSA-N 2 2 387.549 3.920 20 0 GHADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1)[NH+](C)C ZINC000558572020 932080173 /nfs/dbraw/zinc/08/01/73/932080173.db2.gz QWLWCCOGOPHYAS-YADARESESA-N 2 2 390.531 3.590 20 0 GHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(-n2cnnc2)c1 ZINC000926330481 932138021 /nfs/dbraw/zinc/13/80/21/932138021.db2.gz MXEZEFUQAKXKQM-ZCGYKAAXSA-N 2 2 393.457 3.723 20 0 GHADLP CC(C)(C)OC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000799359773 932968676 /nfs/dbraw/zinc/96/86/76/932968676.db2.gz BYULGVGLSVIRFX-GOSISDBHSA-N 2 2 384.524 3.999 20 0 GHADLP CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000799359773 932968678 /nfs/dbraw/zinc/96/86/78/932968678.db2.gz BYULGVGLSVIRFX-GOSISDBHSA-N 2 2 384.524 3.999 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc(-c4ccccc4)c[nH]3)C2)ccn1 ZINC001118942992 934288773 /nfs/dbraw/zinc/28/87/73/934288773.db2.gz WPHQBASNAJYAOV-OAQYLSRUSA-N 2 2 391.519 3.577 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc(-c4ccccc4)c[nH]3)C2)ccn1 ZINC001118942992 934288784 /nfs/dbraw/zinc/28/87/84/934288784.db2.gz WPHQBASNAJYAOV-OAQYLSRUSA-N 2 2 391.519 3.577 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3nc(-c4ccccc4)c[nH]3)C2)ccn1 ZINC001118942992 934288793 /nfs/dbraw/zinc/28/87/93/934288793.db2.gz WPHQBASNAJYAOV-OAQYLSRUSA-N 2 2 391.519 3.577 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3nc(-c4ccccc4)c[nH]3)C2)ccn1 ZINC001118942992 934288804 /nfs/dbraw/zinc/28/88/04/934288804.db2.gz WPHQBASNAJYAOV-OAQYLSRUSA-N 2 2 391.519 3.577 20 0 GHADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000562269508 934798791 /nfs/dbraw/zinc/79/87/91/934798791.db2.gz HMFMRRBHVXXFMY-HOTGVXAUSA-N 2 2 393.601 3.569 20 0 GHADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000562269508 934798793 /nfs/dbraw/zinc/79/87/93/934798793.db2.gz HMFMRRBHVXXFMY-HOTGVXAUSA-N 2 2 393.601 3.569 20 0 GHADLP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000562365565 934838652 /nfs/dbraw/zinc/83/86/52/934838652.db2.gz ZOJVUKXLMDWHGD-JOCHJYFZSA-N 2 2 388.515 3.745 20 0 GHADLP C[NH+]1CCC2(CCC[N@H+](Cc3noc(-c4c(F)cccc4Cl)n3)C2)CC1 ZINC000828457817 935636022 /nfs/dbraw/zinc/63/60/22/935636022.db2.gz XNYGFNDNPARDJA-UHFFFAOYSA-N 2 2 378.879 3.837 20 0 GHADLP C[NH+]1CCC2(CCC[N@@H+](Cc3noc(-c4c(F)cccc4Cl)n3)C2)CC1 ZINC000828457817 935636026 /nfs/dbraw/zinc/63/60/26/935636026.db2.gz XNYGFNDNPARDJA-UHFFFAOYSA-N 2 2 378.879 3.837 20 0 GHADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000829526805 935822453 /nfs/dbraw/zinc/82/24/53/935822453.db2.gz VNRPORZYHFGSIO-FQEVSTJZSA-N 2 2 378.476 3.633 20 0 GHADLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000829526807 935822672 /nfs/dbraw/zinc/82/26/72/935822672.db2.gz VNRPORZYHFGSIO-HXUWFJFHSA-N 2 2 378.476 3.633 20 0 GHADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000367841385 1015048753 /nfs/dbraw/zinc/04/87/53/1015048753.db2.gz JXVYTKPPZYRWER-DEOSSOPVSA-N 2 2 386.499 3.611 20 0 GHADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000367841385 1015048766 /nfs/dbraw/zinc/04/87/66/1015048766.db2.gz JXVYTKPPZYRWER-DEOSSOPVSA-N 2 2 386.499 3.611 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000468389933 1015657750 /nfs/dbraw/zinc/65/77/50/1015657750.db2.gz OFJOHPHAOFOLFF-QFIPXVFZSA-N 2 2 381.520 3.620 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000468389933 1015657754 /nfs/dbraw/zinc/65/77/54/1015657754.db2.gz OFJOHPHAOFOLFF-QFIPXVFZSA-N 2 2 381.520 3.620 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[NH+]3CCC(n4cc[nH+]c4)CC3)c2C)cc1 ZINC000468403994 1015672705 /nfs/dbraw/zinc/67/27/05/1015672705.db2.gz ADUSJBFEESNIHS-UHFFFAOYSA-N 2 2 379.508 3.590 20 0 GHADLP COc1cc(C[NH+]2CCC3(CCC[NH2+]3)CC2)ccc1OC(=O)c1cccs1 ZINC001226785443 1032128110 /nfs/dbraw/zinc/12/81/10/1032128110.db2.gz UNGUTGWKJYSGBK-UHFFFAOYSA-N 2 2 386.517 3.694 20 0 GHADLP CC[C@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000545403772 1015845948 /nfs/dbraw/zinc/84/59/48/1015845948.db2.gz PHCKMCDNKJVXFM-QHCPKHFHSA-N 2 2 388.515 3.668 20 0 GHADLP CC[C@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000545403772 1015845952 /nfs/dbraw/zinc/84/59/52/1015845952.db2.gz PHCKMCDNKJVXFM-QHCPKHFHSA-N 2 2 388.515 3.668 20 0 GHADLP CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cc1 ZINC000468958008 1016273300 /nfs/dbraw/zinc/27/33/00/1016273300.db2.gz NPOVFZFAFDDTSB-UHFFFAOYSA-N 2 2 398.532 3.574 20 0 GHADLP Cc1ccc2c(c1)[C@H](Nc1cc(N3CCCCC3)nc[nH+]1)CC21CC[NH2+]CC1 ZINC001155444667 1032545375 /nfs/dbraw/zinc/54/53/75/1032545375.db2.gz TTXVEVMYSHXEHB-HXUWFJFHSA-N 2 2 377.536 3.953 20 0 GHADLP Cc1ccc2c(c1)[C@H](Nc1cc(N3CCCCC3)[nH+]cn1)CC21CC[NH2+]CC1 ZINC001155444667 1032545384 /nfs/dbraw/zinc/54/53/84/1032545384.db2.gz TTXVEVMYSHXEHB-HXUWFJFHSA-N 2 2 377.536 3.953 20 0 GHADLP COc1ccc2c(c1)[nH+]c(N[C@@H]1COCCC13C[NH2+]C3)cc2-c1ccccc1 ZINC001155472309 1032555222 /nfs/dbraw/zinc/55/52/22/1032555222.db2.gz QVNZJDFLEHADJH-OAQYLSRUSA-N 2 2 375.472 3.701 20 0 GHADLP COc1ccc2c(c1)[nH+]c(NC[C@]13C[NH2+]C[C@H]1COC3)cc2-c1ccccc1 ZINC001155516037 1032568089 /nfs/dbraw/zinc/56/80/89/1032568089.db2.gz PNWIWYDTIHPIFZ-SBUREZEXSA-N 2 2 375.472 3.558 20 0 GHADLP Cc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C2CCCC2)cc1 ZINC000560582631 1017668941 /nfs/dbraw/zinc/66/89/41/1017668941.db2.gz FZEPWOGEPJPUJQ-PQFKCJEGSA-N 2 2 383.580 3.900 20 0 GHADLP Cc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C2CCCC2)cc1 ZINC000560582631 1017668943 /nfs/dbraw/zinc/66/89/43/1017668943.db2.gz FZEPWOGEPJPUJQ-PQFKCJEGSA-N 2 2 383.580 3.900 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000569038034 1019460958 /nfs/dbraw/zinc/46/09/58/1019460958.db2.gz BGWCWCCIYQKEHI-UHFFFAOYSA-N 2 2 379.295 3.601 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000569038034 1019460963 /nfs/dbraw/zinc/46/09/63/1019460963.db2.gz BGWCWCCIYQKEHI-UHFFFAOYSA-N 2 2 379.295 3.601 20 0 GHADLP CC[C@@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000571695983 1019701015 /nfs/dbraw/zinc/70/10/15/1019701015.db2.gz VJGRTZWPNYJZPC-QFIPXVFZSA-N 2 2 382.552 3.813 20 0 GHADLP CC[C@@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000571695983 1019701032 /nfs/dbraw/zinc/70/10/32/1019701032.db2.gz VJGRTZWPNYJZPC-QFIPXVFZSA-N 2 2 382.552 3.813 20 0 GHADLP C[NH+](C)C1(CNc2ncnc3scc(-c4ccc(F)cc4)c32)CC[NH+](C)CC1 ZINC001156185095 1032916233 /nfs/dbraw/zinc/91/62/33/1032916233.db2.gz MKIVCFSKOHVRPG-UHFFFAOYSA-N 2 2 399.539 3.935 20 0 GHADLP CCC1([NH+]2CCCC2)CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000632877408 1020917279 /nfs/dbraw/zinc/91/72/79/1020917279.db2.gz SLVOBDMFLUVIEX-UHFFFAOYSA-N 2 2 399.583 3.622 20 0 GHADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000635453999 1020983545 /nfs/dbraw/zinc/98/35/45/1020983545.db2.gz WMXQIRXWIXVMHM-MRXNPFEDSA-N 2 2 398.454 3.564 20 0 GHADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834515054 1021237147 /nfs/dbraw/zinc/23/71/47/1021237147.db2.gz ZBRRSCVFEPETLV-OALUTQOASA-N 2 2 388.556 3.818 20 0 GHADLP CCOc1ccc2[nH]cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)c2c1 ZINC001140268690 1021290830 /nfs/dbraw/zinc/29/08/30/1021290830.db2.gz DBTUVICYHHFSEB-RTBURBONSA-N 2 2 376.504 3.525 20 0 GHADLP Cc1c[nH+]c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nc1N1CCCC1 ZINC001156315110 1032976392 /nfs/dbraw/zinc/97/63/92/1032976392.db2.gz JUELXQCHSYRYSD-NJDAHSKKSA-N 2 2 377.536 3.708 20 0 GHADLP Cc1c[nH+]c(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nc1N1CCCC1 ZINC001156315110 1032976394 /nfs/dbraw/zinc/97/63/94/1032976394.db2.gz JUELXQCHSYRYSD-NJDAHSKKSA-N 2 2 377.536 3.708 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccccn4)cc3)CC2)C1 ZINC001140382710 1021533141 /nfs/dbraw/zinc/53/31/41/1021533141.db2.gz YHQRJTSUBBRKGB-OAQYLSRUSA-N 2 2 393.531 3.598 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(-c4ccccn4)cc3)CC2)C1 ZINC001140382710 1021533143 /nfs/dbraw/zinc/53/31/43/1021533143.db2.gz YHQRJTSUBBRKGB-OAQYLSRUSA-N 2 2 393.531 3.598 20 0 GHADLP O=C(c1ccsc1)N1CCC2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)CC1 ZINC001140803826 1022575502 /nfs/dbraw/zinc/57/55/02/1022575502.db2.gz YBAAAUXMAHRGMF-UHFFFAOYSA-N 2 2 380.517 3.753 20 0 GHADLP O=C(c1ccsc1)N1CCC2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)CC1 ZINC001140803826 1022575511 /nfs/dbraw/zinc/57/55/11/1022575511.db2.gz YBAAAUXMAHRGMF-UHFFFAOYSA-N 2 2 380.517 3.753 20 0 GHADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCc2c(COCc3ccccn3)cncc2C1 ZINC001140803894 1022575647 /nfs/dbraw/zinc/57/56/47/1022575647.db2.gz ZWIXDDXZSDQCOU-UHFFFAOYSA-N 2 2 385.471 3.628 20 0 GHADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCc2c(COCc3ccccn3)cncc2C1 ZINC001140803894 1022575662 /nfs/dbraw/zinc/57/56/62/1022575662.db2.gz ZWIXDDXZSDQCOU-UHFFFAOYSA-N 2 2 385.471 3.628 20 0 GHADLP CN(C(=O)NC/C=C/c1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755059334 1023052012 /nfs/dbraw/zinc/05/20/12/1023052012.db2.gz LLWPBBWEJOWRSX-BWJFYJKLSA-N 2 2 398.595 3.678 20 0 GHADLP CN(C(=O)NC/C=C/c1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755059334 1023052020 /nfs/dbraw/zinc/05/20/20/1023052020.db2.gz LLWPBBWEJOWRSX-BWJFYJKLSA-N 2 2 398.595 3.678 20 0 GHADLP Cc1nn(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(=S)n1-c1ccccc1C ZINC000755781329 1023375433 /nfs/dbraw/zinc/37/54/33/1023375433.db2.gz ULPAWAPNYXSUCK-IBGZPJMESA-N 2 2 385.581 3.641 20 0 GHADLP Cc1nn(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(=S)n1-c1ccccc1C ZINC000755781329 1023375444 /nfs/dbraw/zinc/37/54/44/1023375444.db2.gz ULPAWAPNYXSUCK-IBGZPJMESA-N 2 2 385.581 3.641 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1ccccc1-c1cccs1)CC2 ZINC001141094800 1023475647 /nfs/dbraw/zinc/47/56/47/1023475647.db2.gz ZAWVDWNRRQOVID-UHFFFAOYSA-N 2 2 383.561 3.592 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1ccccc1-c1cccs1)CC2 ZINC001141094800 1023475656 /nfs/dbraw/zinc/47/56/56/1023475656.db2.gz ZAWVDWNRRQOVID-UHFFFAOYSA-N 2 2 383.561 3.592 20 0 GHADLP COc1ccc2nccc(C[N@@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)c2c1 ZINC001141150068 1023972736 /nfs/dbraw/zinc/97/27/36/1023972736.db2.gz WAFHFFLVYLUWLP-GBXCKJPGSA-N 2 2 395.547 3.566 20 0 GHADLP COc1ccc2nccc(C[N@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)c2c1 ZINC001141150068 1023972739 /nfs/dbraw/zinc/97/27/39/1023972739.db2.gz WAFHFFLVYLUWLP-GBXCKJPGSA-N 2 2 395.547 3.566 20 0 GHADLP COc1ccc2nccc(C[NH+]3C[C@@H]4C[N@H+](CC5CCCC5)CCO[C@@H]4C3)c2c1 ZINC001141150068 1023972742 /nfs/dbraw/zinc/97/27/42/1023972742.db2.gz WAFHFFLVYLUWLP-GBXCKJPGSA-N 2 2 395.547 3.566 20 0 GHADLP COc1ccc2nccc(C[NH+]3C[C@@H]4C[N@@H+](CC5CCCC5)CCO[C@@H]4C3)c2c1 ZINC001141150068 1023972744 /nfs/dbraw/zinc/97/27/44/1023972744.db2.gz WAFHFFLVYLUWLP-GBXCKJPGSA-N 2 2 395.547 3.566 20 0 GHADLP Brc1cccc(-c2ccncc2C[N@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001138074624 1023999576 /nfs/dbraw/zinc/99/95/76/1023999576.db2.gz IZISUYIKVYKKDK-UHFFFAOYSA-N 2 2 383.293 3.766 20 0 GHADLP Brc1cccc(-c2ccncc2C[N@@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001138074624 1023999581 /nfs/dbraw/zinc/99/95/81/1023999581.db2.gz IZISUYIKVYKKDK-UHFFFAOYSA-N 2 2 383.293 3.766 20 0 GHADLP CC[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001141243549 1024250770 /nfs/dbraw/zinc/25/07/70/1024250770.db2.gz MLCHTMAJHWOZLM-XMMPIXPASA-N 2 2 390.531 3.595 20 0 GHADLP CC[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001141243549 1024250788 /nfs/dbraw/zinc/25/07/88/1024250788.db2.gz MLCHTMAJHWOZLM-XMMPIXPASA-N 2 2 390.531 3.595 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc(N5CCCCC5)o4)CC3)C2)co1 ZINC001138173627 1024298089 /nfs/dbraw/zinc/29/80/89/1024298089.db2.gz SNUGYCNKAUDLRI-UHFFFAOYSA-N 2 2 399.535 3.730 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(N5CCCCC5)o4)CC3)C2)co1 ZINC001138173627 1024298103 /nfs/dbraw/zinc/29/81/03/1024298103.db2.gz SNUGYCNKAUDLRI-UHFFFAOYSA-N 2 2 399.535 3.730 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCN(Cc3c(F)cccc3F)CC2)cc1 ZINC001138549620 1024997657 /nfs/dbraw/zinc/99/76/57/1024997657.db2.gz APFBDQNEQUUGGI-UHFFFAOYSA-N 2 2 382.458 3.777 20 0 GHADLP Cc1nc(C(F)(F)F)ccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001141432674 1025035889 /nfs/dbraw/zinc/03/58/89/1025035889.db2.gz GYMQSVKNDWSUNT-RTBURBONSA-N 2 2 375.438 3.973 20 0 GHADLP c1ccc(N2CCCCC2)c(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001138606140 1025093166 /nfs/dbraw/zinc/09/31/66/1025093166.db2.gz IGSYNBFNAITNSY-GOTSBHOMSA-N 2 2 376.548 3.636 20 0 GHADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(OCc4cccc(F)c4)cc3)C[C@@H]2C1 ZINC001138660248 1025178744 /nfs/dbraw/zinc/17/87/44/1025178744.db2.gz BYENGFOIQFMNEO-NZQKXSOJSA-N 2 2 384.495 3.557 20 0 GHADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(OCc4cccc(F)c4)cc3)C[C@@H]2C1 ZINC001138660248 1025178759 /nfs/dbraw/zinc/17/87/59/1025178759.db2.gz BYENGFOIQFMNEO-NZQKXSOJSA-N 2 2 384.495 3.557 20 0 GHADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(OCc4cccc(F)c4)cc3)C[C@@H]2C1 ZINC001138660248 1025178763 /nfs/dbraw/zinc/17/87/63/1025178763.db2.gz BYENGFOIQFMNEO-NZQKXSOJSA-N 2 2 384.495 3.557 20 0 GHADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(OCc4cccc(F)c4)cc3)C[C@@H]2C1 ZINC001138660248 1025178771 /nfs/dbraw/zinc/17/87/71/1025178771.db2.gz BYENGFOIQFMNEO-NZQKXSOJSA-N 2 2 384.495 3.557 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cnc3[nH]ccc3c1)C2 ZINC001138738706 1025275176 /nfs/dbraw/zinc/27/51/76/1025275176.db2.gz VRNYWEJUEVMQFE-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cnc3[nH]ccc3c1)C2 ZINC001138738706 1025275178 /nfs/dbraw/zinc/27/51/78/1025275178.db2.gz VRNYWEJUEVMQFE-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1cnc3[nH]ccc3c1)C2 ZINC001138738706 1025275184 /nfs/dbraw/zinc/27/51/84/1025275184.db2.gz VRNYWEJUEVMQFE-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1cnc3[nH]ccc3c1)C2 ZINC001138738706 1025275194 /nfs/dbraw/zinc/27/51/94/1025275194.db2.gz VRNYWEJUEVMQFE-UHFFFAOYSA-N 2 2 387.487 3.741 20 0 GHADLP c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001138767809 1025336640 /nfs/dbraw/zinc/33/66/40/1025336640.db2.gz QOWPXTYYSVKJAR-RPBOFIJWSA-N 2 2 386.543 3.885 20 0 GHADLP c1nn(Cc2ccccc2)cc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001138767809 1025336653 /nfs/dbraw/zinc/33/66/53/1025336653.db2.gz QOWPXTYYSVKJAR-RPBOFIJWSA-N 2 2 386.543 3.885 20 0 GHADLP c1nn(Cc2ccccc2)cc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001138767809 1025336669 /nfs/dbraw/zinc/33/66/69/1025336669.db2.gz QOWPXTYYSVKJAR-RPBOFIJWSA-N 2 2 386.543 3.885 20 0 GHADLP c1nn(Cc2ccccc2)cc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001138767809 1025336686 /nfs/dbraw/zinc/33/66/86/1025336686.db2.gz QOWPXTYYSVKJAR-RPBOFIJWSA-N 2 2 386.543 3.885 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)c1ccccc1 ZINC000838966162 1025484901 /nfs/dbraw/zinc/48/49/01/1025484901.db2.gz DVXQYAFZFQEGAU-LJQANCHMSA-N 2 2 396.535 3.693 20 0 GHADLP Fc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001138879338 1025512620 /nfs/dbraw/zinc/51/26/20/1025512620.db2.gz NGAYUAJGNCTDFI-HDICACEKSA-N 2 2 382.508 3.841 20 0 GHADLP Fc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001138879338 1025512628 /nfs/dbraw/zinc/51/26/28/1025512628.db2.gz NGAYUAJGNCTDFI-HDICACEKSA-N 2 2 382.508 3.841 20 0 GHADLP Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001138879338 1025512635 /nfs/dbraw/zinc/51/26/35/1025512635.db2.gz NGAYUAJGNCTDFI-HDICACEKSA-N 2 2 382.508 3.841 20 0 GHADLP Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001138879338 1025512643 /nfs/dbraw/zinc/51/26/43/1025512643.db2.gz NGAYUAJGNCTDFI-HDICACEKSA-N 2 2 382.508 3.841 20 0 GHADLP COC(OC)c1cc(C)c[nH+]c1NCCCP(CCC[NH3+])c1ccccc1 ZINC001162468923 1025759818 /nfs/dbraw/zinc/75/98/18/1025759818.db2.gz IYNYLKNANNDBIC-UHFFFAOYSA-N 2 2 389.480 3.640 20 0 GHADLP COc1cccc(O[C@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC001139061915 1025855177 /nfs/dbraw/zinc/85/51/77/1025855177.db2.gz LUDOVBKYLOLRNA-DEOSSOPVSA-N 2 2 396.531 3.571 20 0 GHADLP COc1cccc(O[C@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC001139061915 1025855198 /nfs/dbraw/zinc/85/51/98/1025855198.db2.gz LUDOVBKYLOLRNA-DEOSSOPVSA-N 2 2 396.531 3.571 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc3cccnc3cc1F)C2 ZINC001141626663 1025946696 /nfs/dbraw/zinc/94/66/96/1025946696.db2.gz AYJKDZHGWSJHNP-OFNKIYASSA-N 2 2 383.511 3.554 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc3cccnc3cc1F)C2 ZINC001141626663 1025946701 /nfs/dbraw/zinc/94/67/01/1025946701.db2.gz AYJKDZHGWSJHNP-OFNKIYASSA-N 2 2 383.511 3.554 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc3cccnc3cc1F)C2 ZINC001141626663 1025946703 /nfs/dbraw/zinc/94/67/03/1025946703.db2.gz AYJKDZHGWSJHNP-OFNKIYASSA-N 2 2 383.511 3.554 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc3cccnc3cc1F)C2 ZINC001141626663 1025946714 /nfs/dbraw/zinc/94/67/14/1025946714.db2.gz AYJKDZHGWSJHNP-OFNKIYASSA-N 2 2 383.511 3.554 20 0 GHADLP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC001139246432 1026095200 /nfs/dbraw/zinc/09/52/00/1026095200.db2.gz AZGMHGKJRIJOHZ-UHFFFAOYSA-N 2 2 382.552 3.723 20 0 GHADLP Cc1ccc(O[C@H]2C[C@H]3CN(Cc4ccc(-n5cc[nH+]c5)cc4)CC[N@@H+]3C2)cc1 ZINC001139360615 1026234961 /nfs/dbraw/zinc/23/49/61/1026234961.db2.gz YRUQETQPAFQVRW-UPVQGACJSA-N 2 2 388.515 3.518 20 0 GHADLP Cc1ccc(O[C@H]2C[C@H]3CN(Cc4ccc(-n5cc[nH+]c5)cc4)CC[N@H+]3C2)cc1 ZINC001139360615 1026234978 /nfs/dbraw/zinc/23/49/78/1026234978.db2.gz YRUQETQPAFQVRW-UPVQGACJSA-N 2 2 388.515 3.518 20 0 GHADLP COc1cc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)ccc1Cl ZINC001139361197 1026235154 /nfs/dbraw/zinc/23/51/54/1026235154.db2.gz MDBRBQIPWJQIHO-UHFFFAOYSA-N 2 2 382.895 3.857 20 0 GHADLP COc1ccccc1-n1c[nH+]c2cc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)ccc21 ZINC001163653314 1026268339 /nfs/dbraw/zinc/26/83/39/1026268339.db2.gz ILCDXGCZFMCUFB-XZOQPEGZSA-N 2 2 392.503 3.747 20 0 GHADLP Cc1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2c(N)ncnc2Cl)CC3)cc1 ZINC001139439388 1026307619 /nfs/dbraw/zinc/30/76/19/1026307619.db2.gz PMMJFTLUNMVCMM-UHFFFAOYSA-N 2 2 399.970 3.899 20 0 GHADLP C[NH+](C)C1(CNc2cc(C(F)(F)F)c3c(n2)CCCCC3)CC[NH+](C)CC1 ZINC001164210449 1026452983 /nfs/dbraw/zinc/45/29/83/1026452983.db2.gz CZOJNHPQFJQNMN-UHFFFAOYSA-N 2 2 384.490 3.807 20 0 GHADLP CCOC[C@H]1C[N@H+](Cc2ccccc2-n2cc[nH+]c2C)Cc2cn(CC)nc21 ZINC001140025630 1026813687 /nfs/dbraw/zinc/81/36/87/1026813687.db2.gz QUESJYHUQZSSNQ-HXUWFJFHSA-N 2 2 379.508 3.533 20 0 GHADLP CCOC[C@H]1C[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)Cc2cn(CC)nc21 ZINC001140025630 1026813699 /nfs/dbraw/zinc/81/36/99/1026813699.db2.gz QUESJYHUQZSSNQ-HXUWFJFHSA-N 2 2 379.508 3.533 20 0 GHADLP COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)n1 ZINC001140027758 1026817272 /nfs/dbraw/zinc/81/72/72/1026817272.db2.gz XZMRDTBKTPTBAP-LJQANCHMSA-N 2 2 378.476 3.628 20 0 GHADLP COc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)n1 ZINC001140027758 1026817279 /nfs/dbraw/zinc/81/72/79/1026817279.db2.gz XZMRDTBKTPTBAP-LJQANCHMSA-N 2 2 378.476 3.628 20 0 GHADLP Nc1cc[nH+]cc1C[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001209729071 1027124185 /nfs/dbraw/zinc/12/41/85/1027124185.db2.gz GBKBZGMNNNJUNG-UHFFFAOYSA-N 2 2 385.817 3.650 20 0 GHADLP CNc1ccc(Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)c[nH+]1 ZINC001203459137 1027354121 /nfs/dbraw/zinc/35/41/21/1027354121.db2.gz FZHMKVUOOQQDBW-UHFFFAOYSA-N 2 2 379.430 3.633 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc(Cl)cc(Cl)c4)C[C@H]3C2)cn1 ZINC001203810012 1027625471 /nfs/dbraw/zinc/62/54/71/1027625471.db2.gz UVQOUUZEZFHEBC-IAGOWNOFSA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc(Cl)cc(Cl)c4)C[C@H]3C2)cn1 ZINC001203810012 1027625481 /nfs/dbraw/zinc/62/54/81/1027625481.db2.gz UVQOUUZEZFHEBC-IAGOWNOFSA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc(Cl)cc(Cl)c4)C[C@H]3C2)cn1 ZINC001203810012 1027625483 /nfs/dbraw/zinc/62/54/83/1027625483.db2.gz UVQOUUZEZFHEBC-IAGOWNOFSA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc(Cl)cc(Cl)c4)C[C@H]3C2)cn1 ZINC001203810012 1027625489 /nfs/dbraw/zinc/62/54/89/1027625489.db2.gz UVQOUUZEZFHEBC-IAGOWNOFSA-N 2 2 379.335 3.681 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1OC(C)=O ZINC001203836481 1027644272 /nfs/dbraw/zinc/64/42/72/1027644272.db2.gz DNPKMPWYLVIFJQ-VXKWHMMOSA-N 2 2 394.515 3.574 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1OC(C)=O ZINC001203836481 1027644280 /nfs/dbraw/zinc/64/42/80/1027644280.db2.gz DNPKMPWYLVIFJQ-VXKWHMMOSA-N 2 2 394.515 3.574 20 0 GHADLP COc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1OC(C)=O ZINC001203836481 1027644284 /nfs/dbraw/zinc/64/42/84/1027644284.db2.gz DNPKMPWYLVIFJQ-VXKWHMMOSA-N 2 2 394.515 3.574 20 0 GHADLP COc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1OC(C)=O ZINC001203836481 1027644290 /nfs/dbraw/zinc/64/42/90/1027644290.db2.gz DNPKMPWYLVIFJQ-VXKWHMMOSA-N 2 2 394.515 3.574 20 0 GHADLP Cc1onc(-c2ccccc2)c1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001141980647 1027803642 /nfs/dbraw/zinc/80/36/42/1027803642.db2.gz ADCNDPJWXWGUNW-HSZRJFAPSA-N 2 2 383.536 3.973 20 0 GHADLP Cc1onc(-c2ccccc2)c1C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001141980647 1027803663 /nfs/dbraw/zinc/80/36/63/1027803663.db2.gz ADCNDPJWXWGUNW-HSZRJFAPSA-N 2 2 383.536 3.973 20 0 GHADLP Cc1onc(-c2ccccc2)c1C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001141980647 1027803679 /nfs/dbraw/zinc/80/36/79/1027803679.db2.gz ADCNDPJWXWGUNW-HSZRJFAPSA-N 2 2 383.536 3.973 20 0 GHADLP Cc1onc(-c2ccccc2)c1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001141980647 1027803691 /nfs/dbraw/zinc/80/36/91/1027803691.db2.gz ADCNDPJWXWGUNW-HSZRJFAPSA-N 2 2 383.536 3.973 20 0 GHADLP C[NH+]1C(C)(C)CC(NC(=O)/C=C/c2ccc(Cn3cc[nH+]c3)cc2)CC1(C)C ZINC001142375035 1028779566 /nfs/dbraw/zinc/77/95/66/1028779566.db2.gz ZSKOVLYMGGYXFT-ZHACJKMWSA-N 2 2 380.536 3.712 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]cc2-c2nc(-c3cc4ccoc4c(Cl)c3)no2)CC1 ZINC001214674216 1028852337 /nfs/dbraw/zinc/85/23/37/1028852337.db2.gz SOOXVIDTQOBNCS-UHFFFAOYSA-N 2 2 395.850 3.950 20 0 GHADLP COc1cc2c(cc1NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C)oc1ccccc12 ZINC000842475961 1029312292 /nfs/dbraw/zinc/31/22/92/1029312292.db2.gz ZBLVTLLFUKXYCJ-HXUWFJFHSA-N 2 2 381.476 3.511 20 0 GHADLP CC(C)C[NH2+]Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001215744924 1029377436 /nfs/dbraw/zinc/37/74/36/1029377436.db2.gz AKVMFWZZURREHU-UHFFFAOYSA-N 2 2 383.536 3.887 20 0 GHADLP COc1cc(C)c(C[NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)c(C)c1 ZINC001142938041 1029718280 /nfs/dbraw/zinc/71/82/80/1029718280.db2.gz KPVKAUXZYMULQV-UHFFFAOYSA-N 2 2 382.552 3.676 20 0 GHADLP COc1cc(C)c(C[NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)c(C)c1 ZINC001142938041 1029718286 /nfs/dbraw/zinc/71/82/86/1029718286.db2.gz KPVKAUXZYMULQV-UHFFFAOYSA-N 2 2 382.552 3.676 20 0 GHADLP C[C@@H](NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001221968388 1029910388 /nfs/dbraw/zinc/91/03/88/1029910388.db2.gz XAOQCYJIOKQCFE-RBUKOAKNSA-N 2 2 391.519 3.753 20 0 GHADLP C[C@@H](NC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001221968388 1029910391 /nfs/dbraw/zinc/91/03/91/1029910391.db2.gz XAOQCYJIOKQCFE-RBUKOAKNSA-N 2 2 391.519 3.753 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(OCc2ccccc2)c1OC ZINC001222147942 1029979180 /nfs/dbraw/zinc/97/91/80/1029979180.db2.gz FUWLYDOMDDYKKL-XMMPIXPASA-N 2 2 396.531 3.858 20 0 GHADLP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(OCc2ccccc2)c1OC ZINC001222147942 1029979183 /nfs/dbraw/zinc/97/91/83/1029979183.db2.gz FUWLYDOMDDYKKL-XMMPIXPASA-N 2 2 396.531 3.858 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1c(Cl)cccc1C(F)(F)F)CC2 ZINC001143284878 1029990297 /nfs/dbraw/zinc/99/02/97/1029990297.db2.gz KBKYWYUOZWFHAA-UHFFFAOYSA-N 2 2 375.822 3.989 20 0 GHADLP CCOc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)cc(Br)c1O ZINC001222315944 1030066009 /nfs/dbraw/zinc/06/60/09/1030066009.db2.gz RNXRKKTVWDWYFC-GOSISDBHSA-N 2 2 383.330 3.662 20 0 GHADLP CCOc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc(Br)c1O ZINC001222315944 1030066019 /nfs/dbraw/zinc/06/60/19/1030066019.db2.gz RNXRKKTVWDWYFC-GOSISDBHSA-N 2 2 383.330 3.662 20 0 GHADLP FC(F)(F)c1ccc(-c2ccc(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)cc2)cc1 ZINC001222497632 1030169989 /nfs/dbraw/zinc/16/99/89/1030169989.db2.gz TYSSOAYFFOVOFL-SFTDATJTSA-N 2 2 389.465 3.898 20 0 GHADLP CC(=O)c1ccccc1-c1noc(-c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)n1 ZINC001217116614 1030178279 /nfs/dbraw/zinc/17/82/79/1030178279.db2.gz RKEORTRZYCKHHB-UHFFFAOYSA-N 2 2 392.503 3.990 20 0 GHADLP CC(=O)c1ccccc1-c1noc(-c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)n1 ZINC001217116614 1030178289 /nfs/dbraw/zinc/17/82/89/1030178289.db2.gz RKEORTRZYCKHHB-UHFFFAOYSA-N 2 2 392.503 3.990 20 0 GHADLP Oc1ccc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c(F)c1 ZINC001222583026 1030211831 /nfs/dbraw/zinc/21/18/31/1030211831.db2.gz KEHUBPMZASTMBL-FQEVSTJZSA-N 2 2 384.495 3.835 20 0 GHADLP Oc1ccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c(F)c1 ZINC001222583026 1030211847 /nfs/dbraw/zinc/21/18/47/1030211847.db2.gz KEHUBPMZASTMBL-FQEVSTJZSA-N 2 2 384.495 3.835 20 0 GHADLP Cc1c(O[C@@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)ccc2c1CC[NH2+]C2 ZINC001218389660 1030916511 /nfs/dbraw/zinc/91/65/11/1030916511.db2.gz BTPVMIAIPSIKKJ-OAHLLOKOSA-N 2 2 377.941 3.794 20 0 GHADLP Cc1c(O[C@@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)ccc2c1CC[NH2+]C2 ZINC001218389660 1030916521 /nfs/dbraw/zinc/91/65/21/1030916521.db2.gz BTPVMIAIPSIKKJ-OAHLLOKOSA-N 2 2 377.941 3.794 20 0 GHADLP Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)c1 ZINC001218677799 1031031862 /nfs/dbraw/zinc/03/18/62/1031031862.db2.gz RVGNZROVZNATJK-IBGZPJMESA-N 2 2 391.519 3.689 20 0 GHADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2ccc3ccccc3c2-c2c(O)ccc3ccccc32)C1 ZINC001218918706 1031152584 /nfs/dbraw/zinc/15/25/84/1031152584.db2.gz ZUFAEDAJLOMDTQ-UWJYYQICSA-N 2 2 397.478 3.993 20 0 GHADLP O=C(Nc1cccc2c1C[NH2+]C2)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC001218992640 1031198699 /nfs/dbraw/zinc/19/86/99/1031198699.db2.gz AEVPDMAQQMVNLO-DEOSSOPVSA-N 2 2 383.495 3.855 20 0 GHADLP O=C(Nc1cccc2c1C[NH2+]C2)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC001218992640 1031198709 /nfs/dbraw/zinc/19/87/09/1031198709.db2.gz AEVPDMAQQMVNLO-DEOSSOPVSA-N 2 2 383.495 3.855 20 0 GHADLP CC(C)(C)c1ccc(Br)c(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)c1 ZINC001219083290 1031247670 /nfs/dbraw/zinc/24/76/70/1031247670.db2.gz RCESESXRGHGCED-MRXNPFEDSA-N 2 2 390.325 3.957 20 0 GHADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc(-c3ccc(OCc4ccccc4)cc3)cc2)C1 ZINC001219161586 1031279659 /nfs/dbraw/zinc/27/96/59/1031279659.db2.gz MEKILZAXGQNDTI-OFNKIYASSA-N 2 2 387.483 3.560 20 0 GHADLP CC[C@H]1CN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)CC[N@@H+]1Cc1ccccc1 ZINC001225640049 1031522260 /nfs/dbraw/zinc/52/22/60/1031522260.db2.gz NWJOSRURTFUBDM-FQEVSTJZSA-N 2 2 396.535 3.513 20 0 GHADLP CC[C@H]1CN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)CC[N@H+]1Cc1ccccc1 ZINC001225640049 1031522268 /nfs/dbraw/zinc/52/22/68/1031522268.db2.gz NWJOSRURTFUBDM-FQEVSTJZSA-N 2 2 396.535 3.513 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1Cl ZINC001220531879 1031979424 /nfs/dbraw/zinc/97/94/24/1031979424.db2.gz BHNWIBRBBVXQSD-SDJXIENJSA-N 2 2 384.351 3.633 20 0 GHADLP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ccc(C(F)(F)F)nc2)CC1 ZINC001205449888 1033418113 /nfs/dbraw/zinc/41/81/13/1033418113.db2.gz NGMBWSNCDBMMEC-UHFFFAOYSA-N 2 2 386.506 3.730 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001205489567 1033438526 /nfs/dbraw/zinc/43/85/26/1033438526.db2.gz ULESFGNSDOOIOJ-DQVLVPHSSA-N 2 2 387.568 3.790 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001205489567 1033438533 /nfs/dbraw/zinc/43/85/33/1033438533.db2.gz ULESFGNSDOOIOJ-DQVLVPHSSA-N 2 2 387.568 3.790 20 0 GHADLP CC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@@H](C)Cc1ccsc1 ZINC001205492166 1033438824 /nfs/dbraw/zinc/43/88/24/1033438824.db2.gz HCTGUUDCHBBFHN-IBGZPJMESA-N 2 2 388.577 3.912 20 0 GHADLP CC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@@H](C)Cc1ccsc1 ZINC001205492166 1033438832 /nfs/dbraw/zinc/43/88/32/1033438832.db2.gz HCTGUUDCHBBFHN-IBGZPJMESA-N 2 2 388.577 3.912 20 0 GHADLP COc1ccc(CN(c2cc(C)[nH+]c(C(C)(C)C)n2)C2CC[NH2+]CC2)cc1F ZINC001158010612 1033867739 /nfs/dbraw/zinc/86/77/39/1033867739.db2.gz NOWMMFYEWXVSTE-UHFFFAOYSA-N 2 2 386.515 3.989 20 0 GHADLP COc1c[nH+]c(N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)nc1NC(C)C ZINC001158146927 1033934788 /nfs/dbraw/zinc/93/47/88/1033934788.db2.gz DCDNRORDEQBSKE-QAQDUYKDSA-N 2 2 387.503 3.721 20 0 GHADLP COc1ccc(CN(c2nc(NC3CC3)c(C)c[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158156221 1033941345 /nfs/dbraw/zinc/94/13/45/1033941345.db2.gz NUNSRWJZMUBPAL-UAPYVXQJSA-N 2 2 381.524 3.644 20 0 GHADLP COc1cccc(C[NH+]2CCC3(CC[NH+](Cc4c[nH+]c(C)n4C)CC3)CC2)c1 ZINC001206792584 1033985235 /nfs/dbraw/zinc/98/52/35/1033985235.db2.gz LAROSLYHDOHLIJ-UHFFFAOYSA-N 3 2 382.552 3.615 20 0 GHADLP COC(=O)c1c(C)cc(C)[nH+]c1N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001158448928 1034081580 /nfs/dbraw/zinc/08/15/80/1034081580.db2.gz ILESMBRQVQKDLD-UHFFFAOYSA-N 2 2 385.483 3.725 20 0 GHADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)CC[C@@H]21 ZINC001207175135 1034146101 /nfs/dbraw/zinc/14/61/01/1034146101.db2.gz QYGBNGKIHWNCHF-QAPCUYQASA-N 2 2 391.581 3.567 20 0 GHADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)CC[C@@H]21 ZINC001207175135 1034146123 /nfs/dbraw/zinc/14/61/23/1034146123.db2.gz QYGBNGKIHWNCHF-QAPCUYQASA-N 2 2 391.581 3.567 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)CC[C@@H]21 ZINC001207175135 1034146128 /nfs/dbraw/zinc/14/61/28/1034146128.db2.gz QYGBNGKIHWNCHF-QAPCUYQASA-N 2 2 391.581 3.567 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)CC[C@@H]21 ZINC001207175135 1034146136 /nfs/dbraw/zinc/14/61/36/1034146136.db2.gz QYGBNGKIHWNCHF-QAPCUYQASA-N 2 2 391.581 3.567 20 0 GHADLP COc1ccc(CC[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cc1 ZINC001207478420 1034390700 /nfs/dbraw/zinc/39/07/00/1034390700.db2.gz GBRLZAAUTQWDLV-UHFFFAOYSA-N 2 2 391.515 3.916 20 0 GHADLP COc1ccc(CC[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cc1 ZINC001207478420 1034390709 /nfs/dbraw/zinc/39/07/09/1034390709.db2.gz GBRLZAAUTQWDLV-UHFFFAOYSA-N 2 2 391.515 3.916 20 0 GHADLP COc1ccc(CC[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)cc1 ZINC001207478420 1034390726 /nfs/dbraw/zinc/39/07/26/1034390726.db2.gz GBRLZAAUTQWDLV-UHFFFAOYSA-N 2 2 391.515 3.916 20 0 GHADLP COc1ccc(CC[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)cc1 ZINC001207478420 1034390737 /nfs/dbraw/zinc/39/07/37/1034390737.db2.gz GBRLZAAUTQWDLV-UHFFFAOYSA-N 2 2 391.515 3.916 20 0 GHADLP Cc1nc(Nc2ccc(C3CC[NH2+]CC3)cc2)cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001159227788 1034495301 /nfs/dbraw/zinc/49/53/01/1034495301.db2.gz MUSHHQSZUSDJCF-HZPDHXFCSA-N 2 2 381.524 3.609 20 0 GHADLP C[NH+]1CCC(Oc2cc[nH+]c(N[C@@H](Cc3ccccc3)C[NH+]3CCCC3)c2)CC1 ZINC001159655076 1034704252 /nfs/dbraw/zinc/70/42/52/1034704252.db2.gz QVIWZGJSTFVUFW-NRFANRHFSA-N 3 2 394.563 3.674 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](CCCC4CCCC4)CC[C@@H]3C2)cs1 ZINC001208090939 1034732823 /nfs/dbraw/zinc/73/28/23/1034732823.db2.gz JTEWDHQHYKWCOH-TZIWHRDSSA-N 2 2 377.598 3.945 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](CCCC4CCCC4)CC[C@@H]3C2)cs1 ZINC001208090939 1034732836 /nfs/dbraw/zinc/73/28/36/1034732836.db2.gz JTEWDHQHYKWCOH-TZIWHRDSSA-N 2 2 377.598 3.945 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](CCCC4CCCC4)CC[C@@H]3C2)cs1 ZINC001208090939 1034732850 /nfs/dbraw/zinc/73/28/50/1034732850.db2.gz JTEWDHQHYKWCOH-TZIWHRDSSA-N 2 2 377.598 3.945 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](CCCC4CCCC4)CC[C@@H]3C2)cs1 ZINC001208090939 1034732858 /nfs/dbraw/zinc/73/28/58/1034732858.db2.gz JTEWDHQHYKWCOH-TZIWHRDSSA-N 2 2 377.598 3.945 20 0 GHADLP Fc1cc(Nc2ccccc2C[NH+]2CCOCC2)ccc1OCC1CC[NH2+]CC1 ZINC001159880747 1034771197 /nfs/dbraw/zinc/77/11/97/1034771197.db2.gz GRYGALMTHLNAKQ-UHFFFAOYSA-N 2 2 399.510 3.780 20 0 GHADLP C[NH+](C)CC1(C[N@@H+]2CCCn3cnc(COCc4ccco4)c3C2)CCCC1 ZINC001208187542 1034784916 /nfs/dbraw/zinc/78/49/16/1034784916.db2.gz YZVGJLKYNVKHPG-UHFFFAOYSA-N 2 2 386.540 3.521 20 0 GHADLP C[NH+](C)CC1(C[N@H+]2CCCn3cnc(COCc4ccco4)c3C2)CCCC1 ZINC001208187542 1034784925 /nfs/dbraw/zinc/78/49/25/1034784925.db2.gz YZVGJLKYNVKHPG-UHFFFAOYSA-N 2 2 386.540 3.521 20 0 GHADLP CCOc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231765460 1034896587 /nfs/dbraw/zinc/89/65/87/1034896587.db2.gz UXMUTDXZXINGGP-BWAGFHJFSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ncccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231765460 1034896592 /nfs/dbraw/zinc/89/65/92/1034896592.db2.gz UXMUTDXZXINGGP-BWAGFHJFSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ncccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231765460 1034896604 /nfs/dbraw/zinc/89/66/04/1034896604.db2.gz UXMUTDXZXINGGP-BWAGFHJFSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ncccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231765460 1034896619 /nfs/dbraw/zinc/89/66/19/1034896619.db2.gz UXMUTDXZXINGGP-BWAGFHJFSA-N 2 2 380.536 3.608 20 0 GHADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208622738 1034957053 /nfs/dbraw/zinc/95/70/53/1034957053.db2.gz FSJHGWXXUYFQJZ-UHFFFAOYSA-N 2 2 391.531 3.589 20 0 GHADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208622738 1034957058 /nfs/dbraw/zinc/95/70/58/1034957058.db2.gz FSJHGWXXUYFQJZ-UHFFFAOYSA-N 2 2 391.531 3.589 20 0 GHADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208624314 1034958077 /nfs/dbraw/zinc/95/80/77/1034958077.db2.gz YWYDFTZBPDLJLS-UHFFFAOYSA-N 2 2 391.531 3.589 20 0 GHADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208624314 1034958080 /nfs/dbraw/zinc/95/80/80/1034958080.db2.gz YWYDFTZBPDLJLS-UHFFFAOYSA-N 2 2 391.531 3.589 20 0 GHADLP Cc1ccc([C@H](C(=O)N2CC[C@H](c3ccccc3F)C2)[NH+]2CCC([NH3+])CC2)cc1 ZINC001160534052 1034996518 /nfs/dbraw/zinc/99/65/18/1034996518.db2.gz GVRRPPYTUMPLIH-WMZHIEFXSA-N 2 2 395.522 3.614 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](CC3(c4ccccc4)CCCC3)C2)C1 ZINC001208774128 1035013296 /nfs/dbraw/zinc/01/32/96/1035013296.db2.gz HGXILNPLKVOLBV-QHCPKHFHSA-N 2 2 386.580 3.559 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](CC3(c4ccccc4)CCCC3)C2)C1 ZINC001208774128 1035013306 /nfs/dbraw/zinc/01/33/06/1035013306.db2.gz HGXILNPLKVOLBV-QHCPKHFHSA-N 2 2 386.580 3.559 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](CC3(c4ccccc4)CCCC3)C2)C1 ZINC001208774128 1035013312 /nfs/dbraw/zinc/01/33/12/1035013312.db2.gz HGXILNPLKVOLBV-QHCPKHFHSA-N 2 2 386.580 3.559 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](CC3(c4ccccc4)CCCC3)C2)C1 ZINC001208774128 1035013321 /nfs/dbraw/zinc/01/33/21/1035013321.db2.gz HGXILNPLKVOLBV-QHCPKHFHSA-N 2 2 386.580 3.559 20 0 GHADLP Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232013609 1035044741 /nfs/dbraw/zinc/04/47/41/1035044741.db2.gz AZWMRACKYOVOMJ-UHFFFAOYSA-N 2 2 384.487 3.684 20 0 GHADLP Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232013609 1035044744 /nfs/dbraw/zinc/04/47/44/1035044744.db2.gz AZWMRACKYOVOMJ-UHFFFAOYSA-N 2 2 384.487 3.684 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC2(C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208940375 1035110351 /nfs/dbraw/zinc/11/03/51/1035110351.db2.gz CAUMJZQFQMKHDX-OAQYLSRUSA-N 2 2 399.579 3.841 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC2(C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208940375 1035110360 /nfs/dbraw/zinc/11/03/60/1035110360.db2.gz CAUMJZQFQMKHDX-OAQYLSRUSA-N 2 2 399.579 3.841 20 0 GHADLP CC[C@H]1C[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208948506 1035119384 /nfs/dbraw/zinc/11/93/84/1035119384.db2.gz GNVWAVZVVMHPGA-SFTDATJTSA-N 2 2 387.568 3.840 20 0 GHADLP CC[C@H]1C[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208948506 1035119390 /nfs/dbraw/zinc/11/93/90/1035119390.db2.gz GNVWAVZVVMHPGA-SFTDATJTSA-N 2 2 387.568 3.840 20 0 GHADLP CC[C@H]1C[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208948506 1035119394 /nfs/dbraw/zinc/11/93/94/1035119394.db2.gz GNVWAVZVVMHPGA-SFTDATJTSA-N 2 2 387.568 3.840 20 0 GHADLP CC[C@H]1C[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208948506 1035119399 /nfs/dbraw/zinc/11/93/99/1035119399.db2.gz GNVWAVZVVMHPGA-SFTDATJTSA-N 2 2 387.568 3.840 20 0 GHADLP FC(F)(F)c1nc([C@H]2CCC[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)no1 ZINC001208950873 1035122018 /nfs/dbraw/zinc/12/20/18/1035122018.db2.gz XIGXZWVOHKWHGL-IRXDYDNUSA-N 2 2 394.441 3.790 20 0 GHADLP FC(F)(F)c1nc([C@H]2CCC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)no1 ZINC001208950873 1035122023 /nfs/dbraw/zinc/12/20/23/1035122023.db2.gz XIGXZWVOHKWHGL-IRXDYDNUSA-N 2 2 394.441 3.790 20 0 GHADLP FC(F)(F)c1nc([C@H]2CCC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)no1 ZINC001208950873 1035122027 /nfs/dbraw/zinc/12/20/27/1035122027.db2.gz XIGXZWVOHKWHGL-IRXDYDNUSA-N 2 2 394.441 3.790 20 0 GHADLP FC(F)(F)c1nc([C@H]2CCC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)no1 ZINC001208950873 1035122032 /nfs/dbraw/zinc/12/20/32/1035122032.db2.gz XIGXZWVOHKWHGL-IRXDYDNUSA-N 2 2 394.441 3.790 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cn(C)nc1C1CC1)CC2 ZINC001232168736 1035142529 /nfs/dbraw/zinc/14/25/29/1035142529.db2.gz DGJZDKITQQTMNB-UHFFFAOYSA-N 2 2 383.540 3.533 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cn(C)nc1C1CC1)CC2 ZINC001232168736 1035142535 /nfs/dbraw/zinc/14/25/35/1035142535.db2.gz DGJZDKITQQTMNB-UHFFFAOYSA-N 2 2 383.540 3.533 20 0 GHADLP COc1cc2[nH+]c(NC3CC[NH+](CC(=O)C(C)(C)C)CC3)ccc2c(OC)c1 ZINC001161125525 1035150555 /nfs/dbraw/zinc/15/05/55/1035150555.db2.gz QRXDKULYEUUMQI-UHFFFAOYSA-N 2 2 385.508 3.744 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](CCc2ccc(F)cc2Cl)CC3)cn1 ZINC001209113011 1035179176 /nfs/dbraw/zinc/17/91/76/1035179176.db2.gz KKAJKOKLCXERHV-UHFFFAOYSA-N 2 2 390.934 3.886 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](CCc2ccc(F)cc2Cl)CC3)cn1 ZINC001209113011 1035179181 /nfs/dbraw/zinc/17/91/81/1035179181.db2.gz KKAJKOKLCXERHV-UHFFFAOYSA-N 2 2 390.934 3.886 20 0 GHADLP Clc1cc(-c2cc[nH+]c(NC3(Cc4ccccn4)CC[NH2+]CC3)c2)ccn1 ZINC001161491561 1035240824 /nfs/dbraw/zinc/24/08/24/1035240824.db2.gz NJTVMXXGDWPGDF-UHFFFAOYSA-N 2 2 379.895 3.969 20 0 GHADLP Cc1cc(Br)ccc1N1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC001209452101 1035278275 /nfs/dbraw/zinc/27/82/75/1035278275.db2.gz CWBHHLROEUYXDR-UHFFFAOYSA-N 2 2 380.374 3.756 20 0 GHADLP Cc1ccc2[nH]cc(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)c2c1 ZINC001209492320 1035291613 /nfs/dbraw/zinc/29/16/13/1035291613.db2.gz IGNGRCNGCWGWSL-UHFFFAOYSA-N 2 2 377.536 3.717 20 0 GHADLP Cc1ccc(C[N@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C2CC[NH+](C)CC2)[nH]1 ZINC001209577792 1035315858 /nfs/dbraw/zinc/31/58/58/1035315858.db2.gz WEXZBLVOGZGJCL-UHFFFAOYSA-N 2 2 390.572 3.619 20 0 GHADLP Cc1ccc(C[N@@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C2CC[NH+](C)CC2)[nH]1 ZINC001209577792 1035315863 /nfs/dbraw/zinc/31/58/63/1035315863.db2.gz WEXZBLVOGZGJCL-UHFFFAOYSA-N 2 2 390.572 3.619 20 0 GHADLP CC[NH+](CC)Cc1ccc(C)c(-c2ccc(NCC[NH+]3CCN(C)CC3)nc2)c1 ZINC001241567880 1035626715 /nfs/dbraw/zinc/62/67/15/1035626715.db2.gz GBURHNRFCDPDSA-UHFFFAOYSA-N 2 2 395.595 3.558 20 0 GHADLP COc1ccc2cccc(-c3noc([C@@H]4CCC[N@@H+]4C4CC[NH2+]CC4)n3)c2c1 ZINC001248251618 1035701304 /nfs/dbraw/zinc/70/13/04/1035701304.db2.gz FPDHRNYBVDOPOK-FQEVSTJZSA-N 2 2 378.476 3.787 20 0 GHADLP COc1ccc2cccc(-c3noc([C@@H]4CCC[N@H+]4C4CC[NH2+]CC4)n3)c2c1 ZINC001248251618 1035701323 /nfs/dbraw/zinc/70/13/23/1035701323.db2.gz FPDHRNYBVDOPOK-FQEVSTJZSA-N 2 2 378.476 3.787 20 0 GHADLP CC[NH+](CC)Cc1cccc(-c2cccc(C(=O)N3CC[NH+](C)CC3)c2)c1F ZINC001241882031 1035741835 /nfs/dbraw/zinc/74/18/35/1035741835.db2.gz XSCAVAJBTBYDKR-UHFFFAOYSA-N 2 2 383.511 3.722 20 0 GHADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc(OC(C)C)cc(OC(C)C)c1 ZINC001248658727 1036032867 /nfs/dbraw/zinc/03/28/67/1036032867.db2.gz SIABBHAHKORHGT-UHFFFAOYSA-N 2 2 394.556 3.578 20 0 GHADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc(OC(C)C)cc(OC(C)C)c1 ZINC001248658727 1036032882 /nfs/dbraw/zinc/03/28/82/1036032882.db2.gz SIABBHAHKORHGT-UHFFFAOYSA-N 2 2 394.556 3.578 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cc(F)cc(C(=O)N3CCCCC3)c2)C1 ZINC001243408047 1036142155 /nfs/dbraw/zinc/14/21/55/1036142155.db2.gz XRBVXVGKEHUYAA-NRFANRHFSA-N 2 2 381.495 3.652 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cc(F)cc(C(=O)N3CCCCC3)c2)C1 ZINC001243408047 1036142157 /nfs/dbraw/zinc/14/21/57/1036142157.db2.gz XRBVXVGKEHUYAA-NRFANRHFSA-N 2 2 381.495 3.652 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cnc5ccccc5c4Cl)C[C@@H]3C2)cn1 ZINC001248812142 1036177513 /nfs/dbraw/zinc/17/75/13/1036177513.db2.gz XGBQQFDXMGAGPP-MJGOQNOKSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cnc5ccccc5c4Cl)C[C@@H]3C2)cn1 ZINC001248812142 1036177517 /nfs/dbraw/zinc/17/75/17/1036177517.db2.gz XGBQQFDXMGAGPP-MJGOQNOKSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cnc5ccccc5c4Cl)C[C@@H]3C2)cn1 ZINC001248812142 1036177520 /nfs/dbraw/zinc/17/75/20/1036177520.db2.gz XGBQQFDXMGAGPP-MJGOQNOKSA-N 2 2 395.938 3.576 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cnc5ccccc5c4Cl)C[C@@H]3C2)cn1 ZINC001248812142 1036177523 /nfs/dbraw/zinc/17/75/23/1036177523.db2.gz XGBQQFDXMGAGPP-MJGOQNOKSA-N 2 2 395.938 3.576 20 0 GHADLP COC(=O)c1ccc(C2([NH2+][C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)cc1 ZINC001246114432 1037197988 /nfs/dbraw/zinc/19/79/88/1037197988.db2.gz MDMMEYBQIZPHEB-TZIWHRDSSA-N 2 2 382.479 3.993 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001246192005 1037229487 /nfs/dbraw/zinc/22/94/87/1037229487.db2.gz XTCVZSKFUDSQBU-HKTJVKLFSA-N 3 2 377.576 3.992 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246192005 1037229507 /nfs/dbraw/zinc/22/95/07/1037229507.db2.gz XTCVZSKFUDSQBU-HKTJVKLFSA-N 3 2 377.576 3.992 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H](c3ccccc3)C2)cc1 ZINC001246368387 1037327604 /nfs/dbraw/zinc/32/76/04/1037327604.db2.gz BWIOLPMVFUYSJW-VOWYGXHKSA-N 3 2 375.560 3.917 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H](c3ccccc3)C2)cc1 ZINC001246368387 1037327616 /nfs/dbraw/zinc/32/76/16/1037327616.db2.gz BWIOLPMVFUYSJW-VOWYGXHKSA-N 3 2 375.560 3.917 20 0 GHADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246400323 1037357543 /nfs/dbraw/zinc/35/75/43/1037357543.db2.gz FFUXDOXAKQVDLO-QRWLVFNGSA-N 2 2 392.902 3.851 20 0 GHADLP COC(=O)[C@H](Cc1ccc2ccccc2c1)[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246406461 1037361958 /nfs/dbraw/zinc/36/19/58/1037361958.db2.gz TZIWUVLJUKNMPN-MHIUNMELSA-N 2 2 380.532 3.826 20 0 GHADLP CCCC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246761024 1037604390 /nfs/dbraw/zinc/60/43/90/1037604390.db2.gz YFRDEZQZQFLLMG-PKTZIBPZSA-N 3 2 385.596 3.664 20 0 GHADLP CCCC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246761024 1037604404 /nfs/dbraw/zinc/60/44/04/1037604404.db2.gz YFRDEZQZQFLLMG-PKTZIBPZSA-N 3 2 385.596 3.664 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC001246809050 1037642082 /nfs/dbraw/zinc/64/20/82/1037642082.db2.gz ZWBZUAMGAJMIBF-UPPNCUKMSA-N 3 2 393.550 3.991 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC001246809050 1037642111 /nfs/dbraw/zinc/64/21/11/1037642111.db2.gz ZWBZUAMGAJMIBF-UPPNCUKMSA-N 3 2 393.550 3.991 20 0 GHADLP CN(C(=O)NCC1(CC2CC2)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001246908815 1037718952 /nfs/dbraw/zinc/71/89/52/1037718952.db2.gz LJYBEBAUDLTOTD-LEWJYISDSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)NCC1(CC2CC2)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001246908815 1037718963 /nfs/dbraw/zinc/71/89/63/1037718963.db2.gz LJYBEBAUDLTOTD-LEWJYISDSA-N 2 2 390.616 3.545 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@@H]([N@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246954198 1037761116 /nfs/dbraw/zinc/76/11/16/1037761116.db2.gz FESYGBVMWXWQME-WMLDXEAASA-N 2 2 398.469 3.780 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246954198 1037761136 /nfs/dbraw/zinc/76/11/36/1037761136.db2.gz FESYGBVMWXWQME-WMLDXEAASA-N 2 2 398.469 3.780 20 0 GHADLP CC[N@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246974838 1037800783 /nfs/dbraw/zinc/80/07/83/1037800783.db2.gz JZUIABORWACYFW-SDHOMARFSA-N 2 2 393.575 3.703 20 0 GHADLP CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246974838 1037800800 /nfs/dbraw/zinc/80/08/00/1037800800.db2.gz JZUIABORWACYFW-SDHOMARFSA-N 2 2 393.575 3.703 20 0 GHADLP c1ccc([C@H]2C[C@H]([NH+]3CCN(c4ccc(-c5ncccn5)cc4)CC3)CC[NH2+]2)cc1 ZINC001246982301 1037806751 /nfs/dbraw/zinc/80/67/51/1037806751.db2.gz BTRLTFOLQWSYDC-DNQXCXABSA-N 2 2 399.542 3.759 20 0 GHADLP FC(F)(F)[C@@H]1C[N@H+](Cc2ccccc2)CCN1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246993166 1037817108 /nfs/dbraw/zinc/81/71/08/1037817108.db2.gz LHEWEEDGBHONKX-OALUTQOASA-N 2 2 381.486 3.657 20 0 GHADLP FC(F)(F)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246993166 1037817129 /nfs/dbraw/zinc/81/71/29/1037817129.db2.gz LHEWEEDGBHONKX-OALUTQOASA-N 2 2 381.486 3.657 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247006448 1037830417 /nfs/dbraw/zinc/83/04/17/1037830417.db2.gz ABPUINILTONNQE-CMRPQRIMSA-N 2 2 390.955 3.767 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247006448 1037830437 /nfs/dbraw/zinc/83/04/37/1037830437.db2.gz ABPUINILTONNQE-CMRPQRIMSA-N 2 2 390.955 3.767 20 0 GHADLP CCOc1ccnc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001232581089 1038350982 /nfs/dbraw/zinc/35/09/82/1038350982.db2.gz JSZYOYKVXGIDQN-TZYHBYERSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ccnc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001232581089 1038350999 /nfs/dbraw/zinc/35/09/99/1038350999.db2.gz JSZYOYKVXGIDQN-TZYHBYERSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ccnc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001232581089 1038351013 /nfs/dbraw/zinc/35/10/13/1038351013.db2.gz JSZYOYKVXGIDQN-TZYHBYERSA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ccnc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001232581089 1038351029 /nfs/dbraw/zinc/35/10/29/1038351029.db2.gz JSZYOYKVXGIDQN-TZYHBYERSA-N 2 2 380.536 3.608 20 0 GHADLP c1cn(-c2ccc(-c3noc([C@H]4OC5(CC[NH2+]CC5)c5ccccc54)n3)cc2)c[nH+]1 ZINC001247857873 1038428473 /nfs/dbraw/zinc/42/84/73/1038428473.db2.gz GVUFNDZWGWEFND-FQEVSTJZSA-N 2 2 399.454 3.621 20 0 GHADLP Clc1c(Br)cccc1-c1noc([C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001247857037 1038428786 /nfs/dbraw/zinc/42/87/86/1038428786.db2.gz BSBUPNFWELDSIO-LBPRGKRZSA-N 2 2 397.704 3.699 20 0 GHADLP Cc1ncsc1-c1ccc(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)cc1 ZINC001247866972 1038436511 /nfs/dbraw/zinc/43/65/11/1038436511.db2.gz CMBZFJLLSGSZMM-MRXNPFEDSA-N 2 2 381.505 3.715 20 0 GHADLP c1cn(-c2ccc(-c3noc([C@H]4Oc5ccccc5C45CC[NH2+]CC5)n3)cc2)c[nH+]1 ZINC001247899082 1038471408 /nfs/dbraw/zinc/47/14/08/1038471408.db2.gz SEULPJCEZZOCGT-HXUWFJFHSA-N 2 2 399.454 3.677 20 0 GHADLP O[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC001252004226 1038805717 /nfs/dbraw/zinc/80/57/17/1038805717.db2.gz WOQDZLVCRPMFJN-HXUWFJFHSA-N 2 2 378.438 3.993 20 0 GHADLP Cc1nc([C@@H]2CC[N@H+](C[C@@]3(C(C)(C)C)CC[NH+](Cc4ccccc4)C3)C2)n[nH]1 ZINC001462317857 1070165558 /nfs/dbraw/zinc/16/55/58/1070165558.db2.gz YKQYOWNREAAWOH-OFNKIYASSA-N 2 2 381.568 3.841 20 0 GHADLP Cc1nc([C@@H]2CC[N@@H+](C[C@@]3(C(C)(C)C)CC[NH+](Cc4ccccc4)C3)C2)n[nH]1 ZINC001462317857 1070165564 /nfs/dbraw/zinc/16/55/64/1070165564.db2.gz YKQYOWNREAAWOH-OFNKIYASSA-N 2 2 381.568 3.841 20 0 GHADLP Cc1nc([C@@H]2CC[NH+](C[C@@]3(C(C)(C)C)CC[N@H+](Cc4ccccc4)C3)C2)n[nH]1 ZINC001462317857 1070165572 /nfs/dbraw/zinc/16/55/72/1070165572.db2.gz YKQYOWNREAAWOH-OFNKIYASSA-N 2 2 381.568 3.841 20 0 GHADLP Cc1nc([C@@H]2CC[NH+](C[C@@]3(C(C)(C)C)CC[N@@H+](Cc4ccccc4)C3)C2)n[nH]1 ZINC001462317857 1070165576 /nfs/dbraw/zinc/16/55/76/1070165576.db2.gz YKQYOWNREAAWOH-OFNKIYASSA-N 2 2 381.568 3.841 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1[nH]nc3cc(F)ccc31)CC2 ZINC001233121907 1038910150 /nfs/dbraw/zinc/91/01/50/1038910150.db2.gz OLBSDOBZNLGYEV-UHFFFAOYSA-N 2 2 397.498 3.937 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1[nH]nc3cc(F)ccc31)CC2 ZINC001233121907 1038910152 /nfs/dbraw/zinc/91/01/52/1038910152.db2.gz OLBSDOBZNLGYEV-UHFFFAOYSA-N 2 2 397.498 3.937 20 0 GHADLP FC1(F)CC[N@H+](Cc2cccc3c2CCO3)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001233275435 1039046205 /nfs/dbraw/zinc/04/62/05/1039046205.db2.gz AIOZZUWHNBGFSO-JOCHJYFZSA-N 2 2 399.485 3.750 20 0 GHADLP FC1(F)CC[N@@H+](Cc2cccc3c2CCO3)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001233275435 1039046221 /nfs/dbraw/zinc/04/62/21/1039046221.db2.gz AIOZZUWHNBGFSO-JOCHJYFZSA-N 2 2 399.485 3.750 20 0 GHADLP FC1(F)CC[NH+](Cc2cccc3c2CCO3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001233275435 1039046238 /nfs/dbraw/zinc/04/62/38/1039046238.db2.gz AIOZZUWHNBGFSO-JOCHJYFZSA-N 2 2 399.485 3.750 20 0 GHADLP FC1(F)CC[NH+](Cc2cccc3c2CCO3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001233275435 1039046259 /nfs/dbraw/zinc/04/62/59/1039046259.db2.gz AIOZZUWHNBGFSO-JOCHJYFZSA-N 2 2 399.485 3.750 20 0 GHADLP COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)Cc2cccc3[nH+]ccn32)cc1 ZINC001233364130 1039192435 /nfs/dbraw/zinc/19/24/35/1039192435.db2.gz SBOMVTPCOIIBNT-FQEVSTJZSA-N 2 2 378.520 3.829 20 0 GHADLP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)Cc2cccc3[nH+]ccn32)cc1 ZINC001233364130 1039192449 /nfs/dbraw/zinc/19/24/49/1039192449.db2.gz SBOMVTPCOIIBNT-FQEVSTJZSA-N 2 2 378.520 3.829 20 0 GHADLP O[C@]1(C[NH2+]Cc2cc(F)c(Cl)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC001252917176 1039255324 /nfs/dbraw/zinc/25/53/24/1039255324.db2.gz NXDSJCDMCAZGEU-IBGZPJMESA-N 2 2 383.294 3.859 20 0 GHADLP O[C@]1(C[NH2+]Cc2cc(F)c(Cl)cc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC001252917176 1039255333 /nfs/dbraw/zinc/25/53/33/1039255333.db2.gz NXDSJCDMCAZGEU-IBGZPJMESA-N 2 2 383.294 3.859 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccc(C(F)(F)F)cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC001252945775 1039290204 /nfs/dbraw/zinc/29/02/04/1039290204.db2.gz IBOKOMYHIWLBGL-IBGZPJMESA-N 2 2 382.401 3.571 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccc(C(F)(F)F)cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC001252945775 1039290211 /nfs/dbraw/zinc/29/02/11/1039290211.db2.gz IBOKOMYHIWLBGL-IBGZPJMESA-N 2 2 382.401 3.571 20 0 GHADLP COc1cc(C[NH+]2CCN(c3cccc(C)c3C)CC2)ccc1-n1cc[nH+]c1 ZINC001234066785 1039801169 /nfs/dbraw/zinc/80/11/69/1039801169.db2.gz OVUQNAMNHBYYMD-UHFFFAOYSA-N 2 2 376.504 3.820 20 0 GHADLP COc1cc(C[NH+]2CCN(c3ccc(C)cc3C)CC2)ccc1-n1cc[nH+]c1 ZINC001234074994 1039811227 /nfs/dbraw/zinc/81/12/27/1039811227.db2.gz FPJGIEQTSBZWKF-UHFFFAOYSA-N 2 2 376.504 3.820 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001254190117 1040039103 /nfs/dbraw/zinc/03/91/03/1040039103.db2.gz LOEDUVIPAZDFLP-LJQANCHMSA-N 2 2 388.556 3.677 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CC1 ZINC001254314708 1040167938 /nfs/dbraw/zinc/16/79/38/1040167938.db2.gz ZACIOYUDLREYNL-INIZCTEOSA-N 2 2 392.519 3.569 20 0 GHADLP C[N@@H+]1CCC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)CC1 ZINC001254525240 1040299008 /nfs/dbraw/zinc/29/90/08/1040299008.db2.gz HRQMJOMNXYYUSC-NHCUHLMSSA-N 2 2 387.568 3.635 20 0 GHADLP C[N@H+]1CCC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)CC1 ZINC001254525240 1040299022 /nfs/dbraw/zinc/29/90/22/1040299022.db2.gz HRQMJOMNXYYUSC-NHCUHLMSSA-N 2 2 387.568 3.635 20 0 GHADLP C[NH+]1CCC[C@@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)CC1 ZINC001254525240 1040299041 /nfs/dbraw/zinc/29/90/41/1040299041.db2.gz HRQMJOMNXYYUSC-NHCUHLMSSA-N 2 2 387.568 3.635 20 0 GHADLP C[NH+]1CCC[C@@H]([N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)CC1 ZINC001254525240 1040299054 /nfs/dbraw/zinc/29/90/54/1040299054.db2.gz HRQMJOMNXYYUSC-NHCUHLMSSA-N 2 2 387.568 3.635 20 0 GHADLP CCOC(OCC)c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001234868831 1040380865 /nfs/dbraw/zinc/38/08/65/1040380865.db2.gz HXXKZLYVXVEGQR-DHIUTWEWSA-N 2 2 395.547 3.717 20 0 GHADLP CC[NH+](CC)C1CCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC1 ZINC001235027127 1040518826 /nfs/dbraw/zinc/51/88/26/1040518826.db2.gz HMHMEJANOWJDHG-UHFFFAOYSA-N 2 2 391.357 3.941 20 0 GHADLP Brc1cc(C[NH+]2CCC(n3cccn3)CC2)ccc1-n1cc[nH+]c1 ZINC001235033096 1040524935 /nfs/dbraw/zinc/52/49/35/1040524935.db2.gz BKDJFNILLIPFNR-UHFFFAOYSA-N 2 2 386.297 3.668 20 0 GHADLP Brc1cc(C[N@@H+]2CC[C@H](COCC3CC3)C2)ccc1-n1cc[nH+]c1 ZINC001235034909 1040528481 /nfs/dbraw/zinc/52/84/81/1040528481.db2.gz VWNNURNNQHMWLC-KRWDZBQOSA-N 2 2 390.325 3.883 20 0 GHADLP Brc1cc(C[N@H+]2CC[C@H](COCC3CC3)C2)ccc1-n1cc[nH+]c1 ZINC001235034909 1040528491 /nfs/dbraw/zinc/52/84/91/1040528491.db2.gz VWNNURNNQHMWLC-KRWDZBQOSA-N 2 2 390.325 3.883 20 0 GHADLP Cn1cc[nH+]c1CC[NH2+]C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254793121 1040554375 /nfs/dbraw/zinc/55/43/75/1040554375.db2.gz MMCZIXQXJBLHNX-UHFFFAOYSA-N 2 2 376.545 3.512 20 0 GHADLP Brc1ccc2[nH]nc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)c2c1 ZINC001235226784 1040708545 /nfs/dbraw/zinc/70/85/45/1040708545.db2.gz FJOHYGSOSCGZBW-INIZCTEOSA-N 2 2 377.330 3.680 20 0 GHADLP Brc1ccc2nc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)[nH]c2c1 ZINC001235238947 1040719124 /nfs/dbraw/zinc/71/91/24/1040719124.db2.gz GTCUTFVKLCCFPX-OAHLLOKOSA-N 2 2 377.330 3.680 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c1C ZINC001235249062 1040729898 /nfs/dbraw/zinc/72/98/98/1040729898.db2.gz JYNSMFFJUXWFRL-NFBKMPQASA-N 2 2 381.520 3.530 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c1C ZINC001235249062 1040729912 /nfs/dbraw/zinc/72/99/12/1040729912.db2.gz JYNSMFFJUXWFRL-NFBKMPQASA-N 2 2 381.520 3.530 20 0 GHADLP Fc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2c(c1)COCO2 ZINC001255129459 1040822116 /nfs/dbraw/zinc/82/21/16/1040822116.db2.gz YVCJBKLGBAQMLU-KOUNCHBCSA-N 2 2 382.479 3.977 20 0 GHADLP Fc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2c(c1)COCO2 ZINC001255129459 1040822133 /nfs/dbraw/zinc/82/21/33/1040822133.db2.gz YVCJBKLGBAQMLU-KOUNCHBCSA-N 2 2 382.479 3.977 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CC[NH+](CC4CCOCC4)CC2)C3)cc1 ZINC001255132851 1040828084 /nfs/dbraw/zinc/82/80/84/1040828084.db2.gz WXKQKQDKTAYMCG-MPIKPJSNSA-N 3 2 397.607 3.663 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CC[NH+](CC4CCOCC4)CC2)C3)cc1 ZINC001255132851 1040828102 /nfs/dbraw/zinc/82/81/02/1040828102.db2.gz WXKQKQDKTAYMCG-MPIKPJSNSA-N 3 2 397.607 3.663 20 0 GHADLP COc1cc(-c2ccc[nH]2)[nH]c1C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235358010 1040840458 /nfs/dbraw/zinc/84/04/58/1040840458.db2.gz JJQUQOPIDNGTLH-WZONZLPQSA-N 2 2 376.504 3.598 20 0 GHADLP COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235358010 1040840488 /nfs/dbraw/zinc/84/04/88/1040840488.db2.gz JJQUQOPIDNGTLH-WZONZLPQSA-N 2 2 376.504 3.598 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255140039 1040845486 /nfs/dbraw/zinc/84/54/86/1040845486.db2.gz HSMLLUJNUPQGGR-WKCHPHFGSA-N 2 2 397.563 3.735 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255140039 1040845494 /nfs/dbraw/zinc/84/54/94/1040845494.db2.gz HSMLLUJNUPQGGR-WKCHPHFGSA-N 2 2 397.563 3.735 20 0 GHADLP Clc1ncnc(Cl)c1CC[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235363534 1040848127 /nfs/dbraw/zinc/84/81/27/1040848127.db2.gz RAKGVAORKYCEOO-OXJNMPFZSA-N 2 2 391.346 3.579 20 0 GHADLP Clc1ncnc(Cl)c1CC[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235363534 1040848137 /nfs/dbraw/zinc/84/81/37/1040848137.db2.gz RAKGVAORKYCEOO-OXJNMPFZSA-N 2 2 391.346 3.579 20 0 GHADLP c1[nH+]cn(Cc2ccccc2)c1CN1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235368948 1040866286 /nfs/dbraw/zinc/86/62/86/1040866286.db2.gz XLFUTRKPKKCIMR-ZCYQVOJMSA-N 2 2 386.543 3.685 20 0 GHADLP COc1cc(-c2ccc[nH]2)[nH]c1C[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235374918 1040882675 /nfs/dbraw/zinc/88/26/75/1040882675.db2.gz JJQUQOPIDNGTLH-JPYJTQIMSA-N 2 2 376.504 3.598 20 0 GHADLP COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235374918 1040882711 /nfs/dbraw/zinc/88/27/11/1040882711.db2.gz JJQUQOPIDNGTLH-JPYJTQIMSA-N 2 2 376.504 3.598 20 0 GHADLP COc1cncc(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c1C ZINC001235464116 1040950283 /nfs/dbraw/zinc/95/02/83/1040950283.db2.gz NQTCTMJBOGQCCK-UHFFFAOYSA-N 2 2 392.503 3.577 20 0 GHADLP COc1cncc(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c1C ZINC001235464116 1040950285 /nfs/dbraw/zinc/95/02/85/1040950285.db2.gz NQTCTMJBOGQCCK-UHFFFAOYSA-N 2 2 392.503 3.577 20 0 GHADLP COc1cncc(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1C ZINC001235464116 1040950301 /nfs/dbraw/zinc/95/03/01/1040950301.db2.gz NQTCTMJBOGQCCK-UHFFFAOYSA-N 2 2 392.503 3.577 20 0 GHADLP COc1cncc(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1C ZINC001235464116 1040950303 /nfs/dbraw/zinc/95/03/03/1040950303.db2.gz NQTCTMJBOGQCCK-UHFFFAOYSA-N 2 2 392.503 3.577 20 0 GHADLP O=C1N(CC2CC2)CC[C@@]12CCC[N@@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255405444 1040992543 /nfs/dbraw/zinc/99/25/43/1040992543.db2.gz ZRFCWHFWNBZJQN-UKILVPOCSA-N 2 2 395.591 3.766 20 0 GHADLP O=C1N(CC2CC2)CC[C@@]12CCC[N@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255405444 1040992550 /nfs/dbraw/zinc/99/25/50/1040992550.db2.gz ZRFCWHFWNBZJQN-UKILVPOCSA-N 2 2 395.591 3.766 20 0 GHADLP O=C1N(CC2CC2)CC[C@@]12CCC[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255405444 1040992551 /nfs/dbraw/zinc/99/25/51/1040992551.db2.gz ZRFCWHFWNBZJQN-UKILVPOCSA-N 2 2 395.591 3.766 20 0 GHADLP O=C1N(CC2CC2)CC[C@@]12CCC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255405444 1040992554 /nfs/dbraw/zinc/99/25/54/1040992554.db2.gz ZRFCWHFWNBZJQN-UKILVPOCSA-N 2 2 395.591 3.766 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c(F)ccc(N)c3F)C[C@@H]21 ZINC001235660599 1041110078 /nfs/dbraw/zinc/11/00/78/1041110078.db2.gz HHSNUQRFUMKNIR-LDBYXDLTSA-N 2 2 386.490 3.675 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c(F)ccc(N)c3F)C[C@@H]21 ZINC001235660599 1041110095 /nfs/dbraw/zinc/11/00/95/1041110095.db2.gz HHSNUQRFUMKNIR-LDBYXDLTSA-N 2 2 386.490 3.675 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3c(F)ccc(N)c3F)C[C@@H]21 ZINC001235660599 1041110110 /nfs/dbraw/zinc/11/01/10/1041110110.db2.gz HHSNUQRFUMKNIR-LDBYXDLTSA-N 2 2 386.490 3.675 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(F)ccc(N)c3F)C[C@@H]21 ZINC001235660599 1041110118 /nfs/dbraw/zinc/11/01/18/1041110118.db2.gz HHSNUQRFUMKNIR-LDBYXDLTSA-N 2 2 386.490 3.675 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC001235689645 1041161785 /nfs/dbraw/zinc/16/17/85/1041161785.db2.gz ABJVLJBLMPYQNL-DZGCQCFKSA-N 2 2 392.321 3.602 20 0 GHADLP C[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001255642282 1041185446 /nfs/dbraw/zinc/18/54/46/1041185446.db2.gz WJROAGMGWZNSQF-YLJYHZDGSA-N 2 2 380.454 3.980 20 0 GHADLP COc1cc(Br)cc(F)c1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235706415 1041187799 /nfs/dbraw/zinc/18/77/99/1041187799.db2.gz USMMNLXOHCAKIQ-UHFFFAOYSA-N 2 2 385.321 3.808 20 0 GHADLP c1ccc2c(c1)N=C(N1CC[NH+](C[C@H]3CCC[NH2+]C3)CC1)c1ccccc1S2 ZINC001235713458 1041196833 /nfs/dbraw/zinc/19/68/33/1041196833.db2.gz FCRCPDWNAXZOCW-SFHVURJKSA-N 2 2 392.572 3.847 20 0 GHADLP FC(F)(F)[C@@H]1CCC[C@@H](N(c2cccc[nH+]2)[C@H]2COC3(C2)CC[NH2+]CC3)C1 ZINC001255717460 1041244321 /nfs/dbraw/zinc/24/43/21/1041244321.db2.gz SLIMZOKTUXMVNL-BRWVUGGUSA-N 2 2 383.458 3.920 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001255961901 1041442350 /nfs/dbraw/zinc/44/23/50/1041442350.db2.gz YLWVHCXBESSXAU-LJQANCHMSA-N 3 2 379.614 3.535 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001255961901 1041442364 /nfs/dbraw/zinc/44/23/64/1041442364.db2.gz YLWVHCXBESSXAU-LJQANCHMSA-N 3 2 379.614 3.535 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@H](N(Cc2ccccc2)C2CC2)C1 ZINC001236210365 1041621980 /nfs/dbraw/zinc/62/19/80/1041621980.db2.gz UHFZGGQFPHDTNZ-DZFGPLHGSA-N 2 2 377.523 3.606 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@H](N(Cc2ccccc2)C2CC2)C1 ZINC001236210365 1041621993 /nfs/dbraw/zinc/62/19/93/1041621993.db2.gz UHFZGGQFPHDTNZ-DZFGPLHGSA-N 2 2 377.523 3.606 20 0 GHADLP C[N@H+](Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219506 1041627829 /nfs/dbraw/zinc/62/78/29/1041627829.db2.gz WZDLUSSAYGXHBR-IRLDBZIGSA-N 2 2 397.544 3.580 20 0 GHADLP C[N@@H+](Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219506 1041627831 /nfs/dbraw/zinc/62/78/31/1041627831.db2.gz WZDLUSSAYGXHBR-IRLDBZIGSA-N 2 2 397.544 3.580 20 0 GHADLP O=C(N(c1ccccc1)c1ccccc1)N1CC[NH+](CC2(F)CC[NH2+]CC2)CC1 ZINC001236434530 1041709771 /nfs/dbraw/zinc/70/97/71/1041709771.db2.gz UOANYPVWBLJMKA-UHFFFAOYSA-N 2 2 396.510 3.654 20 0 GHADLP CCOC1CCC([NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)CC1 ZINC001256444568 1041735579 /nfs/dbraw/zinc/73/55/79/1041735579.db2.gz UQXYZOBQTYUUDJ-UHFFFAOYSA-N 2 2 378.314 3.844 20 0 GHADLP COC(=O)Cc1ccccc1C[N@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236490023 1041737785 /nfs/dbraw/zinc/73/77/85/1041737785.db2.gz GMIJNJJLEAYVKV-UHFFFAOYSA-N 2 2 384.495 3.604 20 0 GHADLP COC(=O)Cc1ccccc1C[N@@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236490023 1041737791 /nfs/dbraw/zinc/73/77/91/1041737791.db2.gz GMIJNJJLEAYVKV-UHFFFAOYSA-N 2 2 384.495 3.604 20 0 GHADLP FC(F)(F)c1cccc([C@@H]2C[N@H+](Cc3cc4c(s3)C[NH2+]CC4)CCO2)c1 ZINC001236604300 1041777005 /nfs/dbraw/zinc/77/70/05/1041777005.db2.gz LDDDHVWEAJDEBX-KRWDZBQOSA-N 2 2 382.451 3.986 20 0 GHADLP FC(F)(F)c1cccc([C@@H]2C[N@@H+](Cc3cc4c(s3)C[NH2+]CC4)CCO2)c1 ZINC001236604300 1041777012 /nfs/dbraw/zinc/77/70/12/1041777012.db2.gz LDDDHVWEAJDEBX-KRWDZBQOSA-N 2 2 382.451 3.986 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cc(F)cc4c2OCCC4)CC3)cn1 ZINC001236619839 1041786491 /nfs/dbraw/zinc/78/64/91/1041786491.db2.gz QFAARAGOXXLQPH-UHFFFAOYSA-N 2 2 398.526 3.515 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cc(F)cc4c2OCCC4)CC3)cn1 ZINC001236619839 1041786497 /nfs/dbraw/zinc/78/64/97/1041786497.db2.gz QFAARAGOXXLQPH-UHFFFAOYSA-N 2 2 398.526 3.515 20 0 GHADLP COc1cc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cc(Br)c1O ZINC001236649692 1041802793 /nfs/dbraw/zinc/80/27/93/1041802793.db2.gz YWLWJGFWIVFDGA-HNNXBMFYSA-N 2 2 383.330 3.660 20 0 GHADLP COc1cc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cc(Br)c1O ZINC001236649692 1041802797 /nfs/dbraw/zinc/80/27/97/1041802797.db2.gz YWLWJGFWIVFDGA-HNNXBMFYSA-N 2 2 383.330 3.660 20 0 GHADLP Brc1cc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cc2c1OCO2 ZINC001236655038 1041806164 /nfs/dbraw/zinc/80/61/64/1041806164.db2.gz YUCXSDZLLYNSDJ-OAHLLOKOSA-N 2 2 381.314 3.674 20 0 GHADLP Brc1cc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cc2c1OCO2 ZINC001236655038 1041806168 /nfs/dbraw/zinc/80/61/68/1041806168.db2.gz YUCXSDZLLYNSDJ-OAHLLOKOSA-N 2 2 381.314 3.674 20 0 GHADLP CCOc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1F ZINC001236694552 1041836644 /nfs/dbraw/zinc/83/66/44/1041836644.db2.gz TWTLMBZACIVLLM-RCZSKKKRSA-N 2 2 398.526 3.747 20 0 GHADLP CCOc1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1F ZINC001236694552 1041836646 /nfs/dbraw/zinc/83/66/46/1041836646.db2.gz TWTLMBZACIVLLM-RCZSKKKRSA-N 2 2 398.526 3.747 20 0 GHADLP CCOc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1F ZINC001236694552 1041836647 /nfs/dbraw/zinc/83/66/47/1041836647.db2.gz TWTLMBZACIVLLM-RCZSKKKRSA-N 2 2 398.526 3.747 20 0 GHADLP CCOc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1F ZINC001236694552 1041836648 /nfs/dbraw/zinc/83/66/48/1041836648.db2.gz TWTLMBZACIVLLM-RCZSKKKRSA-N 2 2 398.526 3.747 20 0 GHADLP COc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)n1 ZINC001236910558 1041952498 /nfs/dbraw/zinc/95/24/98/1041952498.db2.gz RSFHBZGSPAPITG-MRXNPFEDSA-N 2 2 384.867 3.583 20 0 GHADLP COc1cccc(O[C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)n1 ZINC001236910558 1041952501 /nfs/dbraw/zinc/95/25/01/1041952501.db2.gz RSFHBZGSPAPITG-MRXNPFEDSA-N 2 2 384.867 3.583 20 0 GHADLP COc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)nc1 ZINC001236928438 1041962448 /nfs/dbraw/zinc/96/24/48/1041962448.db2.gz LLXPJWXUOSOCKY-IBGZPJMESA-N 2 2 398.894 3.973 20 0 GHADLP COc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)nc1 ZINC001236928438 1041962451 /nfs/dbraw/zinc/96/24/51/1041962451.db2.gz LLXPJWXUOSOCKY-IBGZPJMESA-N 2 2 398.894 3.973 20 0 GHADLP C[N@H+](Cc1nc2ccccc2s1)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236960687 1041969882 /nfs/dbraw/zinc/96/98/82/1041969882.db2.gz UHBWKGQAZGUMJL-UHFFFAOYSA-N 2 2 384.524 3.819 20 0 GHADLP C[N@@H+](Cc1nc2ccccc2s1)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236960687 1041969887 /nfs/dbraw/zinc/96/98/87/1041969887.db2.gz UHBWKGQAZGUMJL-UHFFFAOYSA-N 2 2 384.524 3.819 20 0 GHADLP c1ccc2c(c1)NCCC21CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001237322039 1042146381 /nfs/dbraw/zinc/14/63/81/1042146381.db2.gz FDAVTIAUVOCPRQ-UHFFFAOYSA-N 2 2 391.559 3.868 20 0 GHADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc(-c5ccccn5)n4)C[C@H]3C2)c1 ZINC001237833242 1042391821 /nfs/dbraw/zinc/39/18/21/1042391821.db2.gz LUCPVWCVLJGYFX-HDICACEKSA-N 2 2 376.529 3.769 20 0 GHADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4cccc(-c5ccccn5)n4)C[C@H]3C2)c1 ZINC001237833242 1042391826 /nfs/dbraw/zinc/39/18/26/1042391826.db2.gz LUCPVWCVLJGYFX-HDICACEKSA-N 2 2 376.529 3.769 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc(-c5ccccn5)n4)C[C@H]3C2)c1 ZINC001237833242 1042391829 /nfs/dbraw/zinc/39/18/29/1042391829.db2.gz LUCPVWCVLJGYFX-HDICACEKSA-N 2 2 376.529 3.769 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc(-c5ccccn5)n4)C[C@H]3C2)c1 ZINC001237833242 1042391833 /nfs/dbraw/zinc/39/18/33/1042391833.db2.gz LUCPVWCVLJGYFX-HDICACEKSA-N 2 2 376.529 3.769 20 0 GHADLP CC(C)C1=[NH+]CCc2ccc(C[NH+]3CCC([N@H+](C)C4CCOCC4)CC3)cc21 ZINC001237887264 1042410296 /nfs/dbraw/zinc/41/02/96/1042410296.db2.gz UWBLAZWQGHVKOG-UHFFFAOYSA-N 3 2 383.580 3.763 20 0 GHADLP CC(C)C1=[NH+]CCc2ccc(C[NH+]3CCC([N@@H+](C)C4CCOCC4)CC3)cc21 ZINC001237887264 1042410298 /nfs/dbraw/zinc/41/02/98/1042410298.db2.gz UWBLAZWQGHVKOG-UHFFFAOYSA-N 3 2 383.580 3.763 20 0 GHADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4Oc4cnccn4)C[C@H]3C2)c1 ZINC001238011106 1042457958 /nfs/dbraw/zinc/45/79/58/1042457958.db2.gz JHKKOSYWGWVXGZ-OALUTQOASA-N 2 2 392.528 3.894 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C)c(OCC)c3)CC2)C1 ZINC001238067106 1042480693 /nfs/dbraw/zinc/48/06/93/1042480693.db2.gz HKIJSDFMLLLLIF-HXUWFJFHSA-N 2 2 388.552 3.633 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C)c(OCC)c3)CC2)C1 ZINC001238067106 1042480695 /nfs/dbraw/zinc/48/06/95/1042480695.db2.gz HKIJSDFMLLLLIF-HXUWFJFHSA-N 2 2 388.552 3.633 20 0 GHADLP COc1cc(F)ccc1-c1cncc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1 ZINC001238543146 1042634935 /nfs/dbraw/zinc/63/49/35/1042634935.db2.gz ODWXIBNUMLJINP-UHFFFAOYSA-N 2 2 398.482 3.526 20 0 GHADLP Cc1ccc(Cl)c(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)c1 ZINC001238557350 1042639179 /nfs/dbraw/zinc/63/91/79/1042639179.db2.gz MBKRDSKCIHVZSV-URVUXULASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1ccc(Cl)c(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)c1 ZINC001238557350 1042639184 /nfs/dbraw/zinc/63/91/84/1042639184.db2.gz MBKRDSKCIHVZSV-URVUXULASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1ccc(Cl)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001238557350 1042639185 /nfs/dbraw/zinc/63/91/85/1042639185.db2.gz MBKRDSKCIHVZSV-URVUXULASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1ccc(Cl)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001238557350 1042639188 /nfs/dbraw/zinc/63/91/88/1042639188.db2.gz MBKRDSKCIHVZSV-URVUXULASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CCc3[nH+]cc(Cn4cccn4)n3CC2)c1 ZINC001238613867 1042659704 /nfs/dbraw/zinc/65/97/04/1042659704.db2.gz NHIHREFJWPWWAK-UHFFFAOYSA-N 2 2 398.514 3.557 20 0 GHADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCc3[nH+]cc(Cn4cccn4)n3CC2)c1 ZINC001238613867 1042659705 /nfs/dbraw/zinc/65/97/05/1042659705.db2.gz NHIHREFJWPWWAK-UHFFFAOYSA-N 2 2 398.514 3.557 20 0 GHADLP Cc1cc(F)cc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1Cl ZINC001238779789 1042725025 /nfs/dbraw/zinc/72/50/25/1042725025.db2.gz YONXUQYSQIVJEF-UHFFFAOYSA-N 2 2 376.907 3.638 20 0 GHADLP Cc1cc(F)cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1Cl ZINC001238779789 1042725031 /nfs/dbraw/zinc/72/50/31/1042725031.db2.gz YONXUQYSQIVJEF-UHFFFAOYSA-N 2 2 376.907 3.638 20 0 GHADLP Cc1ccc(I)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC001238815343 1042738229 /nfs/dbraw/zinc/73/82/29/1042738229.db2.gz XLYQVIGFCUOXBJ-UHFFFAOYSA-N 2 2 381.261 3.633 20 0 GHADLP [NH3+][C@H]1CCCN(c2cc(-c3ccc4[nH+]ccn4c3)nc(Oc3ccccc3)n2)C1 ZINC001240217154 1042910011 /nfs/dbraw/zinc/91/00/11/1042910011.db2.gz DMUUUZDCJKKFIO-KRWDZBQOSA-N 2 2 386.459 3.511 20 0 GHADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530922 1043463737 /nfs/dbraw/zinc/46/37/37/1043463737.db2.gz FWSPVBFHPIKZGG-GBXCKJPGSA-N 3 2 385.596 3.520 20 0 GHADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530922 1043463742 /nfs/dbraw/zinc/46/37/42/1043463742.db2.gz FWSPVBFHPIKZGG-GBXCKJPGSA-N 3 2 385.596 3.520 20 0 GHADLP COc1ccccc1C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256531440 1043464167 /nfs/dbraw/zinc/46/41/67/1043464167.db2.gz HURATLCSJKZPMJ-QDSKXPNFSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccccc1C[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256531440 1043464184 /nfs/dbraw/zinc/46/41/84/1043464184.db2.gz HURATLCSJKZPMJ-QDSKXPNFSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccccc1C[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256531440 1043464203 /nfs/dbraw/zinc/46/42/03/1043464203.db2.gz HURATLCSJKZPMJ-QDSKXPNFSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccccc1C[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256531440 1043464220 /nfs/dbraw/zinc/46/42/20/1043464220.db2.gz HURATLCSJKZPMJ-QDSKXPNFSA-N 2 2 393.575 3.912 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530924 1043464851 /nfs/dbraw/zinc/46/48/51/1043464851.db2.gz FWSPVBFHPIKZGG-RDPSFJRHSA-N 3 2 385.596 3.520 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530924 1043464859 /nfs/dbraw/zinc/46/48/59/1043464859.db2.gz FWSPVBFHPIKZGG-RDPSFJRHSA-N 3 2 385.596 3.520 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256559230 1043532766 /nfs/dbraw/zinc/53/27/66/1043532766.db2.gz ZNVJXVVMUYRBSR-OIBXWCBGSA-N 2 2 389.543 3.770 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CC[N@H+]1Cc1ccccc1 ZINC001256559230 1043532771 /nfs/dbraw/zinc/53/27/71/1043532771.db2.gz ZNVJXVVMUYRBSR-OIBXWCBGSA-N 2 2 389.543 3.770 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CC[NH+]1Cc1ccccc1 ZINC001256559230 1043532775 /nfs/dbraw/zinc/53/27/75/1043532775.db2.gz ZNVJXVVMUYRBSR-OIBXWCBGSA-N 2 2 389.543 3.770 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CC[NH+]1Cc1ccccc1 ZINC001256559230 1043532780 /nfs/dbraw/zinc/53/27/80/1043532780.db2.gz ZNVJXVVMUYRBSR-OIBXWCBGSA-N 2 2 389.543 3.770 20 0 GHADLP O=C1Nc2ccccc2CN1[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256612533 1043575487 /nfs/dbraw/zinc/57/54/87/1043575487.db2.gz LKHGMEYZUHLDOQ-QFIPXVFZSA-N 2 2 390.531 3.773 20 0 GHADLP O=C1Nc2ccccc2CN1[C@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256612533 1043575492 /nfs/dbraw/zinc/57/54/92/1043575492.db2.gz LKHGMEYZUHLDOQ-QFIPXVFZSA-N 2 2 390.531 3.773 20 0 GHADLP FC(F)(F)c1nc(C2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)no1 ZINC001256611121 1043575607 /nfs/dbraw/zinc/57/56/07/1043575607.db2.gz OAHXNZPRZOJLNN-UHFFFAOYSA-N 2 2 394.441 3.932 20 0 GHADLP CN(C(=O)OC(C)(C)C)C1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001256663956 1043606943 /nfs/dbraw/zinc/60/69/43/1043606943.db2.gz NVCVMUSWRIOUTL-UHFFFAOYSA-N 2 2 388.556 3.818 20 0 GHADLP Fc1ccc(C[C@@H]2CC[N@H+](C3CCC([NH+]4CCOCC4)CC3)CC2(F)F)cc1 ZINC001256698641 1043629351 /nfs/dbraw/zinc/62/93/51/1043629351.db2.gz DJSPGGZXDIQKIG-PELRDEGISA-N 2 2 396.497 3.969 20 0 GHADLP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001257031850 1043809575 /nfs/dbraw/zinc/80/95/75/1043809575.db2.gz HGIPYYDWLDLHJJ-LPHOPBHVSA-N 2 2 398.469 3.991 20 0 GHADLP CC[C@H]1C[C@@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CCN1C(=O)OC(C)(C)C ZINC001257132502 1043881542 /nfs/dbraw/zinc/88/15/42/1043881542.db2.gz PGLNTBNOLXYSCI-OALUTQOASA-N 2 2 377.573 3.582 20 0 GHADLP CC[C@H]1C[C@@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CCN1C(=O)OC(C)(C)C ZINC001257132502 1043881561 /nfs/dbraw/zinc/88/15/61/1043881561.db2.gz PGLNTBNOLXYSCI-OALUTQOASA-N 2 2 377.573 3.582 20 0 GHADLP CC(C)[C@@H]1C[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257207044 1043936481 /nfs/dbraw/zinc/93/64/81/1043936481.db2.gz YBPQDRFEZUBZTR-OALUTQOASA-N 2 2 376.545 3.944 20 0 GHADLP CCCCCC1CCC([N@@H+]2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)CC1 ZINC001257373579 1043974259 /nfs/dbraw/zinc/97/42/59/1043974259.db2.gz OOXHRLYQRCFOIN-UHFFFAOYSA-N 2 2 397.567 3.833 20 0 GHADLP CCCCCC1CCC([N@H+]2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)CC1 ZINC001257373579 1043974261 /nfs/dbraw/zinc/97/42/61/1043974261.db2.gz OOXHRLYQRCFOIN-UHFFFAOYSA-N 2 2 397.567 3.833 20 0 GHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1C[C@H]2C[C@@H](C1)CN(C(=O)OC(C)(C)C)C2 ZINC001257841347 1044215253 /nfs/dbraw/zinc/21/52/53/1044215253.db2.gz OEIYREBJPJMTNK-WRURNZQNSA-N 2 2 379.589 3.732 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCn2cc[nH+]c2)C[C@@H]1Cc1ccccc1 ZINC001257971896 1044293306 /nfs/dbraw/zinc/29/33/06/1044293306.db2.gz WRJUJDHWLHZOJJ-SFTDATJTSA-N 2 2 398.551 3.874 20 0 GHADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257972635 1044294600 /nfs/dbraw/zinc/29/46/00/1044294600.db2.gz HYTCBAUTZISUKR-HOJAQTOUSA-N 2 2 375.557 3.537 20 0 GHADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257974623 1044298460 /nfs/dbraw/zinc/29/84/60/1044298460.db2.gz YDJZASVUNQUDOU-PWRODBHTSA-N 2 2 387.568 3.681 20 0 GHADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257974623 1044298476 /nfs/dbraw/zinc/29/84/76/1044298476.db2.gz YDJZASVUNQUDOU-PWRODBHTSA-N 2 2 387.568 3.681 20 0 GHADLP c1ccc(C2CCC([NH+]3CCN(c4cc[nH+]c(N5CCCC5)n4)CC3)CC2)cc1 ZINC001257998380 1044326946 /nfs/dbraw/zinc/32/69/46/1044326946.db2.gz DNRBQTBHOVGTQI-UHFFFAOYSA-N 2 2 391.563 3.925 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]12CC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141852 1044427408 /nfs/dbraw/zinc/42/74/08/1044427408.db2.gz FLTGBLKSEZUUFL-XMMPIXPASA-N 2 2 399.579 3.779 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]12CC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141852 1044427412 /nfs/dbraw/zinc/42/74/12/1044427412.db2.gz FLTGBLKSEZUUFL-XMMPIXPASA-N 2 2 399.579 3.779 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)CC2)cc1 ZINC001258146216 1044434339 /nfs/dbraw/zinc/43/43/39/1044434339.db2.gz SSVIGESDZVTJIW-DQEYMECFSA-N 3 2 389.587 3.757 20 0 GHADLP C[C@](O)(C1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1)C(F)(F)F ZINC001258147690 1044437809 /nfs/dbraw/zinc/43/78/09/1044437809.db2.gz OTVAKHQEOZFTFJ-FQEVSTJZSA-N 2 2 384.486 3.719 20 0 GHADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C[C@@H](C)C1 ZINC001258156791 1044445372 /nfs/dbraw/zinc/44/53/72/1044445372.db2.gz RXRIMUDLRCUZAZ-LCLWPZTBSA-N 2 2 379.589 3.875 20 0 GHADLP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC001294048736 1044445574 /nfs/dbraw/zinc/44/55/74/1044445574.db2.gz QKQATGLMTWWQMY-OAQYLSRUSA-N 2 2 381.520 3.785 20 0 GHADLP CSC(C)(C)C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258328874 1044507182 /nfs/dbraw/zinc/50/71/82/1044507182.db2.gz ZPWWSJJYFZPVCJ-WMZOPIPTSA-N 2 2 399.645 3.970 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](C1CCN(c3cccc(F)c3)CC1)CC2 ZINC001258422677 1044556592 /nfs/dbraw/zinc/55/65/92/1044556592.db2.gz VSBGXHWGRBRLLS-UHFFFAOYSA-N 2 2 399.558 3.692 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](C1CCN(c3cccc(F)c3)CC1)CC2 ZINC001258422677 1044556606 /nfs/dbraw/zinc/55/66/06/1044556606.db2.gz VSBGXHWGRBRLLS-UHFFFAOYSA-N 2 2 399.558 3.692 20 0 GHADLP Clc1ccccc1N1CCC([NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001258543133 1044618149 /nfs/dbraw/zinc/61/81/49/1044618149.db2.gz MEEINWPCCYHYAS-OALUTQOASA-N 2 2 396.966 3.768 20 0 GHADLP C[N@H+](C1CCN(C(=O)c2ccccc2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001258642599 1044685184 /nfs/dbraw/zinc/68/51/84/1044685184.db2.gz KEIYOGAHILWAFT-UHFFFAOYSA-N 2 2 391.559 3.888 20 0 GHADLP C[N@@H+](C1CCN(C(=O)c2ccccc2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001258642599 1044685191 /nfs/dbraw/zinc/68/51/91/1044685191.db2.gz KEIYOGAHILWAFT-UHFFFAOYSA-N 2 2 391.559 3.888 20 0 GHADLP CCC[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)CC1 ZINC001258777298 1044760590 /nfs/dbraw/zinc/76/05/90/1044760590.db2.gz QHVIKGJQBHNWTH-CVEARBPZSA-N 2 2 393.494 3.638 20 0 GHADLP CCC[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)CC1 ZINC001258777298 1044760603 /nfs/dbraw/zinc/76/06/03/1044760603.db2.gz QHVIKGJQBHNWTH-CVEARBPZSA-N 2 2 393.494 3.638 20 0 GHADLP COc1cc(C[C@@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1OC ZINC001258878609 1044827939 /nfs/dbraw/zinc/82/79/39/1044827939.db2.gz WHYRGEJKLWALFZ-QGZVFWFLSA-N 2 2 395.503 3.961 20 0 GHADLP COc1cc(C[C@@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1OC ZINC001258878609 1044827963 /nfs/dbraw/zinc/82/79/63/1044827963.db2.gz WHYRGEJKLWALFZ-QGZVFWFLSA-N 2 2 395.503 3.961 20 0 GHADLP Cc1cc(OC[C@@H](O)C[NH2+]C[C@H]2CCCn3cc[nH+]c32)c(C(C)C)cc1Cl ZINC000566968853 1046047894 /nfs/dbraw/zinc/04/78/94/1046047894.db2.gz JTFBKANAEDBDEZ-SJORKVTESA-N 2 2 391.943 3.875 20 0 GHADLP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC001262558595 1046269065 /nfs/dbraw/zinc/26/90/65/1046269065.db2.gz KFDZTNWZTQXMSU-QUCCMNQESA-N 2 2 399.922 3.695 20 0 GHADLP Cc1cc2c(CC(=O)Nc3cc(N4CC[NH+](C)CC4)cc[nH+]3)csc2s1 ZINC001302317690 1046907625 /nfs/dbraw/zinc/90/76/25/1046907625.db2.gz AVWOLZZDGCAIHG-UHFFFAOYSA-N 2 2 386.546 3.599 20 0 GHADLP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ncc(F)cc1F)CC2 ZINC001279569094 1047840959 /nfs/dbraw/zinc/84/09/59/1047840959.db2.gz ZONIVOJTBCOCLG-UHFFFAOYSA-N 2 2 378.492 3.613 20 0 GHADLP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ncc(F)cc1F)CC2 ZINC001279569094 1047840966 /nfs/dbraw/zinc/84/09/66/1047840966.db2.gz ZONIVOJTBCOCLG-UHFFFAOYSA-N 2 2 378.492 3.613 20 0 GHADLP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)C2=O)cc1 ZINC001307707455 1049522247 /nfs/dbraw/zinc/52/22/47/1049522247.db2.gz PIYTVKWHQIDVKF-HUVFLSCGSA-N 2 2 391.559 3.991 20 0 GHADLP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)C2=O)cc1 ZINC001307707455 1049522257 /nfs/dbraw/zinc/52/22/57/1049522257.db2.gz PIYTVKWHQIDVKF-HUVFLSCGSA-N 2 2 391.559 3.991 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001307886962 1049667568 /nfs/dbraw/zinc/66/75/68/1049667568.db2.gz ZIKHKAGLIIUKPB-ZCNNSNEGSA-N 2 2 395.547 3.755 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1)[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001307886962 1049667574 /nfs/dbraw/zinc/66/75/74/1049667574.db2.gz ZIKHKAGLIIUKPB-ZCNNSNEGSA-N 2 2 395.547 3.755 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1)[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001307886962 1049667579 /nfs/dbraw/zinc/66/75/79/1049667579.db2.gz ZIKHKAGLIIUKPB-ZCNNSNEGSA-N 2 2 395.547 3.755 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1)[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001307886962 1049667587 /nfs/dbraw/zinc/66/75/87/1049667587.db2.gz ZIKHKAGLIIUKPB-ZCNNSNEGSA-N 2 2 395.547 3.755 20 0 GHADLP O=C(C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)Nc1nc(-c2ccco2)cs1 ZINC001308032060 1049782737 /nfs/dbraw/zinc/78/27/37/1049782737.db2.gz BPUKPHLXEBZARV-INIZCTEOSA-N 2 2 393.472 3.569 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001308035098 1049785543 /nfs/dbraw/zinc/78/55/43/1049785543.db2.gz RXWKUFKIHQNJFD-ICSRJNTNSA-N 2 2 384.524 3.861 20 0 GHADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001308052773 1049800913 /nfs/dbraw/zinc/80/09/13/1049800913.db2.gz MLTAOURYVHQZRS-XZOQPEGZSA-N 2 2 393.531 3.763 20 0 GHADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001308052773 1049800920 /nfs/dbraw/zinc/80/09/20/1049800920.db2.gz MLTAOURYVHQZRS-XZOQPEGZSA-N 2 2 393.531 3.763 20 0 GHADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001308052773 1049800934 /nfs/dbraw/zinc/80/09/34/1049800934.db2.gz MLTAOURYVHQZRS-XZOQPEGZSA-N 2 2 393.531 3.763 20 0 GHADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001308052773 1049800940 /nfs/dbraw/zinc/80/09/40/1049800940.db2.gz MLTAOURYVHQZRS-XZOQPEGZSA-N 2 2 393.531 3.763 20 0 GHADLP COc1nc(Cl)c(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)n1C ZINC001308234332 1049921695 /nfs/dbraw/zinc/92/16/95/1049921695.db2.gz RWSPIKNLXCPXFI-UHFFFAOYSA-N 2 2 376.932 3.748 20 0 GHADLP COc1nc(Cl)c(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)n1C ZINC001308260780 1049929446 /nfs/dbraw/zinc/92/94/46/1049929446.db2.gz MRUVEFUKSUZLJV-UHFFFAOYSA-N 2 2 376.932 3.748 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2C2CCOCC2)CC1 ZINC001308271042 1049932739 /nfs/dbraw/zinc/93/27/39/1049932739.db2.gz FHMMMHKOELQTCB-GOSISDBHSA-N 2 2 382.552 3.629 20 0 GHADLP COc1cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc(C(F)(F)F)c1 ZINC001308338319 1049952733 /nfs/dbraw/zinc/95/27/33/1049952733.db2.gz TXPYRUJHGWPJTG-KRWDZBQOSA-N 2 2 394.441 3.861 20 0 GHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(I)cc2Cl)CC1(C)C ZINC001308381698 1049962756 /nfs/dbraw/zinc/96/27/56/1049962756.db2.gz OZKGXIBFQCWEJT-CYBMUJFWSA-N 2 2 392.712 3.907 20 0 GHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(I)cc2Cl)CC1(C)C ZINC001308381698 1049962760 /nfs/dbraw/zinc/96/27/60/1049962760.db2.gz OZKGXIBFQCWEJT-CYBMUJFWSA-N 2 2 392.712 3.907 20 0 GHADLP Fc1cc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)ccc1-n1cncn1 ZINC001308415115 1049970929 /nfs/dbraw/zinc/97/09/29/1049970929.db2.gz STNQHZWTMWAWPQ-UHFFFAOYSA-N 2 2 382.830 3.535 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)CC(F)(F)F ZINC001308564223 1050011433 /nfs/dbraw/zinc/01/14/33/1050011433.db2.gz ITBWOJMKIGUQGO-CVEARBPZSA-N 2 2 393.494 3.640 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)CC(F)(F)F ZINC001308564223 1050011439 /nfs/dbraw/zinc/01/14/39/1050011439.db2.gz ITBWOJMKIGUQGO-CVEARBPZSA-N 2 2 393.494 3.640 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)CC(F)(F)F ZINC001308564224 1050011531 /nfs/dbraw/zinc/01/15/31/1050011531.db2.gz ITBWOJMKIGUQGO-HOTGVXAUSA-N 2 2 393.494 3.640 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)CC(F)(F)F ZINC001308564224 1050011535 /nfs/dbraw/zinc/01/15/35/1050011535.db2.gz ITBWOJMKIGUQGO-HOTGVXAUSA-N 2 2 393.494 3.640 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c2c1OC(F)(F)O2 ZINC001308593158 1050023680 /nfs/dbraw/zinc/02/36/80/1050023680.db2.gz FGSAOYCQZRNXMW-JKSUJKDBSA-N 2 2 384.492 3.930 20 0 GHADLP C[NH+](C)Cc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c2c1OC(F)(F)O2 ZINC001308593158 1050023686 /nfs/dbraw/zinc/02/36/86/1050023686.db2.gz FGSAOYCQZRNXMW-JKSUJKDBSA-N 2 2 384.492 3.930 20 0 GHADLP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001308897066 1050146555 /nfs/dbraw/zinc/14/65/55/1050146555.db2.gz HDPRSZOGYPWOAB-OXJNMPFZSA-N 2 2 386.923 3.984 20 0 GHADLP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001308897066 1050146566 /nfs/dbraw/zinc/14/65/66/1050146566.db2.gz HDPRSZOGYPWOAB-OXJNMPFZSA-N 2 2 386.923 3.984 20 0 GHADLP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001328194847 1050432873 /nfs/dbraw/zinc/43/28/73/1050432873.db2.gz GKNFZDDJMTXTLJ-QFIPXVFZSA-N 2 2 398.595 3.741 20 0 GHADLP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001328194847 1050432883 /nfs/dbraw/zinc/43/28/83/1050432883.db2.gz GKNFZDDJMTXTLJ-QFIPXVFZSA-N 2 2 398.595 3.741 20 0 GHADLP COc1cc2ccccc2cc1C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001330527827 1051021639 /nfs/dbraw/zinc/02/16/39/1051021639.db2.gz DZTPJBNADOLHCW-UHFFFAOYSA-N 2 2 389.543 3.886 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1nc(Br)cs1 ZINC001330716427 1051081268 /nfs/dbraw/zinc/08/12/68/1051081268.db2.gz XRPHPRWTGSNLNR-ZDUSSCGKSA-N 2 2 395.370 3.508 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC001343276738 1053671614 /nfs/dbraw/zinc/67/16/14/1053671614.db2.gz UOGFEXAZAFSQRT-ZDUSSCGKSA-N 2 2 378.307 3.829 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC001343276738 1053671624 /nfs/dbraw/zinc/67/16/24/1053671624.db2.gz UOGFEXAZAFSQRT-ZDUSSCGKSA-N 2 2 378.307 3.829 20 0 GHADLP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[C@H]1CCCC[NH+]1Cc1cccnc1 ZINC001318717448 1054819777 /nfs/dbraw/zinc/81/97/77/1054819777.db2.gz NZSUXCUMSYPDDH-XZOQPEGZSA-N 2 2 398.595 3.597 20 0 GHADLP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CCCC[NH+]1Cc1cccnc1 ZINC001318717448 1054819790 /nfs/dbraw/zinc/81/97/90/1054819790.db2.gz NZSUXCUMSYPDDH-XZOQPEGZSA-N 2 2 398.595 3.597 20 0 GHADLP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001318717448 1054819803 /nfs/dbraw/zinc/81/98/03/1054819803.db2.gz NZSUXCUMSYPDDH-XZOQPEGZSA-N 2 2 398.595 3.597 20 0 GHADLP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001318717448 1054819818 /nfs/dbraw/zinc/81/98/18/1054819818.db2.gz NZSUXCUMSYPDDH-XZOQPEGZSA-N 2 2 398.595 3.597 20 0 GHADLP O[C@@H](c1ccccc1)[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000848551650 1057173986 /nfs/dbraw/zinc/17/39/86/1057173986.db2.gz SBQSDBBSRSDTKI-VXNXHJTFSA-N 2 2 380.532 3.694 20 0 GHADLP C[NH+]1CCN(Cc2cccc(C[NH2+][C@H]3CCc4cc(F)c(F)c(F)c43)c2)CC1 ZINC001324601574 1057176622 /nfs/dbraw/zinc/17/66/22/1057176622.db2.gz LCCPEBQEDIQPGA-IBGZPJMESA-N 2 2 389.465 3.628 20 0 GHADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc(Br)c1OC ZINC000848575376 1057189142 /nfs/dbraw/zinc/18/91/42/1057189142.db2.gz PKWXUPQNUFGZBA-JKSUJKDBSA-N 2 2 383.330 3.573 20 0 GHADLP COc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc(Br)c1OC ZINC000848575376 1057189147 /nfs/dbraw/zinc/18/91/47/1057189147.db2.gz PKWXUPQNUFGZBA-JKSUJKDBSA-N 2 2 383.330 3.573 20 0 GHADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3cccnc3)ccc21 ZINC001325525100 1057337327 /nfs/dbraw/zinc/33/73/27/1057337327.db2.gz JLQKFGDDKBSVOB-VXKWHMMOSA-N 2 2 378.520 3.624 20 0 GHADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3cccnc3)ccc21 ZINC001325525100 1057337332 /nfs/dbraw/zinc/33/73/32/1057337332.db2.gz JLQKFGDDKBSVOB-VXKWHMMOSA-N 2 2 378.520 3.624 20 0 GHADLP CC(C)(C)OC(=O)NCC1CCC([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC001325873487 1057377497 /nfs/dbraw/zinc/37/74/97/1057377497.db2.gz JIAOFQMAOUGRGI-ABHNRTSZSA-N 2 2 378.561 3.971 20 0 GHADLP FC(F)(F)COc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001326645125 1057527348 /nfs/dbraw/zinc/52/73/48/1057527348.db2.gz XBFKYSXFYPLWRU-UHFFFAOYSA-N 2 2 379.426 3.777 20 0 GHADLP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1OC ZINC000849091421 1057591307 /nfs/dbraw/zinc/59/13/07/1057591307.db2.gz FMCFMIGZGRXGJI-INIZCTEOSA-N 2 2 376.888 3.596 20 0 GHADLP CCc1ccc([C@@H]2CN(C(=O)c3ccc(C[NH+]4CCCCC4)o3)CC[NH2+]2)cc1 ZINC001448445364 1060185158 /nfs/dbraw/zinc/18/51/58/1060185158.db2.gz ALZHFPVPZPZOGM-NRFANRHFSA-N 2 2 381.520 3.615 20 0 GHADLP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC001449357162 1060389161 /nfs/dbraw/zinc/38/91/61/1060389161.db2.gz RMDYHYBKEYSXEL-OAQYLSRUSA-N 2 2 389.609 3.501 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001454503378 1061809079 /nfs/dbraw/zinc/80/90/79/1061809079.db2.gz YNXXUDKFOYPRPU-URXFXBBRSA-N 2 2 391.559 3.947 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001454503378 1061809114 /nfs/dbraw/zinc/80/91/14/1061809114.db2.gz YNXXUDKFOYPRPU-URXFXBBRSA-N 2 2 391.559 3.947 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3(Sc4ccccc4)CCCC3)c2)CC1 ZINC001454649033 1061900593 /nfs/dbraw/zinc/90/05/93/1061900593.db2.gz GRQFTRLIJVFUPI-UHFFFAOYSA-N 2 2 396.560 3.877 20 0 GHADLP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001455084282 1061998358 /nfs/dbraw/zinc/99/83/58/1061998358.db2.gz GVHPXZWMKUCSFP-OYRHEFFESA-N 2 2 386.584 3.879 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)o2)[C@@H]1c1ccc(F)cc1 ZINC001545813804 1062018730 /nfs/dbraw/zinc/01/87/30/1062018730.db2.gz OVCMZFYOCZABBK-FPOVZHCZSA-N 2 2 385.483 3.580 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)o2)[C@@H]1c1ccc(F)cc1 ZINC001545813804 1062018751 /nfs/dbraw/zinc/01/87/51/1062018751.db2.gz OVCMZFYOCZABBK-FPOVZHCZSA-N 2 2 385.483 3.580 20 0 GHADLP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001455759259 1062280593 /nfs/dbraw/zinc/28/05/93/1062280593.db2.gz DUTNYCLAOOEHLB-HXUWFJFHSA-N 2 2 384.524 3.724 20 0 GHADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C(C)(C)c1ccccc1 ZINC001459882024 1064255729 /nfs/dbraw/zinc/25/57/29/1064255729.db2.gz XFCOIYYMXGLHNQ-OAQYLSRUSA-N 2 2 399.604 3.738 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001463794215 1064624286 /nfs/dbraw/zinc/62/42/86/1064624286.db2.gz IYHFGASCDGTPPW-UHFFFAOYSA-N 2 2 376.504 3.573 20 0 GHADLP COc1ccc(NC(=[NH2+])NC[C@H](c2ccc(SC)cc2)[NH+](C)C)cc1OC ZINC000849113266 1067734569 /nfs/dbraw/zinc/73/45/69/1067734569.db2.gz PUBOOUGQAUAUMN-QGZVFWFLSA-N 2 2 388.537 3.665 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c(C)c1 ZINC001469502948 1068195028 /nfs/dbraw/zinc/19/50/28/1068195028.db2.gz SNRJFULBZVWINL-LEWJYISDSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c(C)c1 ZINC001469502948 1068195033 /nfs/dbraw/zinc/19/50/33/1068195033.db2.gz SNRJFULBZVWINL-LEWJYISDSA-N 2 2 397.567 3.661 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC001470008712 1068517986 /nfs/dbraw/zinc/51/79/86/1068517986.db2.gz VHXNFJHOBYSNDI-UHFFFAOYSA-N 2 2 390.531 3.515 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC001470008712 1068517997 /nfs/dbraw/zinc/51/79/97/1068517997.db2.gz VHXNFJHOBYSNDI-UHFFFAOYSA-N 2 2 390.531 3.515 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC001460231021 1068874235 /nfs/dbraw/zinc/87/42/35/1068874235.db2.gz MJZHRBDYWBNSRC-FQEVSTJZSA-N 2 2 388.502 3.712 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC001460231021 1068874243 /nfs/dbraw/zinc/87/42/43/1068874243.db2.gz MJZHRBDYWBNSRC-FQEVSTJZSA-N 2 2 388.502 3.712 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001460881947 1069250972 /nfs/dbraw/zinc/25/09/72/1069250972.db2.gz ZFSFZLXIKPUPDB-IEBWSBKVSA-N 2 2 384.524 3.773 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001460881947 1069250981 /nfs/dbraw/zinc/25/09/81/1069250981.db2.gz ZFSFZLXIKPUPDB-IEBWSBKVSA-N 2 2 384.524 3.773 20 0 GHADLP Cc1cccnc1[C@@H](C)[NH2+]CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001460933128 1069282161 /nfs/dbraw/zinc/28/21/61/1069282161.db2.gz IZDMBKNWSKTFNU-HXUWFJFHSA-N 2 2 394.563 3.508 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001471165208 1072949097 /nfs/dbraw/zinc/94/90/97/1072949097.db2.gz XIFATKWQKZIEDB-LEWJYISDSA-N 2 2 388.600 3.532 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001471165208 1072949100 /nfs/dbraw/zinc/94/91/00/1072949100.db2.gz XIFATKWQKZIEDB-LEWJYISDSA-N 2 2 388.600 3.532 20 0 GHADLP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC001471180153 1072956025 /nfs/dbraw/zinc/95/60/25/1072956025.db2.gz KBKOFTUNQOWPQR-QFIPXVFZSA-N 2 2 397.567 3.778 20 0 GHADLP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC001471180153 1072956029 /nfs/dbraw/zinc/95/60/29/1072956029.db2.gz KBKOFTUNQOWPQR-QFIPXVFZSA-N 2 2 397.567 3.778 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001471709679 1073191505 /nfs/dbraw/zinc/19/15/05/1073191505.db2.gz VALOZHXDVXFDTI-HMXCVIKNSA-N 2 2 375.532 3.541 20 0 GHADLP Cc1[nH]c(CNC(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)c(C)[nH+]1 ZINC001471980591 1073289485 /nfs/dbraw/zinc/28/94/85/1073289485.db2.gz XKIKCNIZHVUUET-OAQYLSRUSA-N 2 2 394.494 3.683 20 0 GHADLP O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001479106694 1079106173 /nfs/dbraw/zinc/10/61/73/1079106173.db2.gz HSCNNINONDWEFW-NHCUHLMSSA-N 2 2 395.551 3.744 20 0 GHADLP O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001479106694 1079106176 /nfs/dbraw/zinc/10/61/76/1079106176.db2.gz HSCNNINONDWEFW-NHCUHLMSSA-N 2 2 395.551 3.744 20 0 GHADLP CC[N@H+](Cc1csnc1OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001473226216 1073874834 /nfs/dbraw/zinc/87/48/34/1073874834.db2.gz OUPMNKPPBOPHBX-UHFFFAOYSA-N 2 2 389.569 3.864 20 0 GHADLP CC[N@@H+](Cc1csnc1OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001473226216 1073874844 /nfs/dbraw/zinc/87/48/44/1073874844.db2.gz OUPMNKPPBOPHBX-UHFFFAOYSA-N 2 2 389.569 3.864 20 0 GHADLP CC[C@](C)(O)C[N@@H+](Cc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001473395172 1073947678 /nfs/dbraw/zinc/94/76/78/1073947678.db2.gz JRQTZPVHKGGCIY-DQEYMECFSA-N 2 2 396.575 3.941 20 0 GHADLP CC[C@](C)(O)C[N@H+](Cc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001473395172 1073947682 /nfs/dbraw/zinc/94/76/82/1073947682.db2.gz JRQTZPVHKGGCIY-DQEYMECFSA-N 2 2 396.575 3.941 20 0 GHADLP CC[C@](C)(O)C[NH+](Cc1ccccc1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001473395172 1073947684 /nfs/dbraw/zinc/94/76/84/1073947684.db2.gz JRQTZPVHKGGCIY-DQEYMECFSA-N 2 2 396.575 3.941 20 0 GHADLP CC[C@](C)(O)C[NH+](Cc1ccccc1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001473395172 1073947687 /nfs/dbraw/zinc/94/76/87/1073947687.db2.gz JRQTZPVHKGGCIY-DQEYMECFSA-N 2 2 396.575 3.941 20 0 GHADLP C[NH+](CCC[N@@H+](C)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)Cc1ccco1 ZINC001473451620 1073969912 /nfs/dbraw/zinc/96/99/12/1073969912.db2.gz CLVSYUWMPMIUOY-ZWKOTPCHSA-N 2 2 379.545 3.727 20 0 GHADLP C[NH+](CCC[N@H+](C)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)Cc1ccco1 ZINC001473451620 1073969914 /nfs/dbraw/zinc/96/99/14/1073969914.db2.gz CLVSYUWMPMIUOY-ZWKOTPCHSA-N 2 2 379.545 3.727 20 0 GHADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001473451620 1073969918 /nfs/dbraw/zinc/96/99/18/1073969918.db2.gz CLVSYUWMPMIUOY-ZWKOTPCHSA-N 2 2 379.545 3.727 20 0 GHADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001473451620 1073969923 /nfs/dbraw/zinc/96/99/23/1073969923.db2.gz CLVSYUWMPMIUOY-ZWKOTPCHSA-N 2 2 379.545 3.727 20 0 GHADLP CCOc1ccccc1[C@@H](CC)NC(=O)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC001473803107 1074150571 /nfs/dbraw/zinc/15/05/71/1074150571.db2.gz VLCPDPQQVUUZEC-HXUWFJFHSA-N 2 2 398.551 3.872 20 0 GHADLP Oc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(OCCn3cc[nH+]c3)c(Cl)c1)C2 ZINC001474131088 1074271023 /nfs/dbraw/zinc/27/10/23/1074271023.db2.gz LNDCUWZNXIVBAZ-LJQANCHMSA-N 2 2 397.906 3.968 20 0 GHADLP CCSc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001474247715 1074309254 /nfs/dbraw/zinc/30/92/54/1074309254.db2.gz JKRWGRNZUZXSMF-UHFFFAOYSA-N 2 2 386.561 3.799 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cncc(Br)c2C)[nH+]1 ZINC001474323362 1074341849 /nfs/dbraw/zinc/34/18/49/1074341849.db2.gz DMCGPZKIJMOHPR-INIZCTEOSA-N 2 2 375.314 3.932 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cncc(Br)c2C)[nH+]1 ZINC001474323362 1074341860 /nfs/dbraw/zinc/34/18/60/1074341860.db2.gz DMCGPZKIJMOHPR-INIZCTEOSA-N 2 2 375.314 3.932 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC([NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)C2)CC1 ZINC001474495219 1074432042 /nfs/dbraw/zinc/43/20/42/1074432042.db2.gz GYAGJWNUTJCMME-LJQANCHMSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC([NH2+]C[C@H]3CCCC[N@H+]3C3CC3)C2)CC1 ZINC001474495219 1074432044 /nfs/dbraw/zinc/43/20/44/1074432044.db2.gz GYAGJWNUTJCMME-LJQANCHMSA-N 2 2 377.573 3.773 20 0 GHADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC001474690080 1074517263 /nfs/dbraw/zinc/51/72/63/1074517263.db2.gz LTNOQOXNUCZGDV-UIAACRFSSA-N 2 2 391.506 3.703 20 0 GHADLP O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000095568536 136182153 /nfs/dbraw/zinc/18/21/53/136182153.db2.gz DLZAAOWFZPOSEQ-JOCHJYFZSA-N 2 2 390.462 3.723 20 0 GHADLP c1ccc2c(c1)CO[C@@]21CC[NH+](CCC[N@@H+]2CC[C@]3(C2)OCc2ccccc23)C1 ZINC000186634402 570943459 /nfs/dbraw/zinc/94/34/59/570943459.db2.gz NTPLBOVQMJSJBJ-JWQCQUIFSA-N 2 2 390.527 3.639 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000824547416 608513721 /nfs/dbraw/zinc/51/37/21/608513721.db2.gz NXXMYNVONPJZCW-YCRPNKLZSA-N 2 2 385.475 3.781 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4cc[nH+]c(N5CCCCC5)n4)[C@@H]3C2)cc1 ZINC001164623394 719096902 /nfs/dbraw/zinc/09/69/02/719096902.db2.gz CTAAVTHFYKWWKP-LEWJYISDSA-N 2 2 377.536 3.568 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CCCN(c4cc[nH+]c(N5CCCCC5)n4)[C@@H]3C2)cc1 ZINC001164623394 719096908 /nfs/dbraw/zinc/09/69/08/719096908.db2.gz CTAAVTHFYKWWKP-LEWJYISDSA-N 2 2 377.536 3.568 20 0 GHADLP Cc1ccc2c(C)cc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)[nH+]c2c1C ZINC001164769238 721208490 /nfs/dbraw/zinc/20/84/90/721208490.db2.gz LVZFTANZRWMUSV-LEWJYISDSA-N 2 2 389.547 3.852 20 0 GHADLP Cc1ccc2c(C)cc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)[nH+]c2c1C ZINC001164769238 721208496 /nfs/dbraw/zinc/20/84/96/721208496.db2.gz LVZFTANZRWMUSV-LEWJYISDSA-N 2 2 389.547 3.852 20 0 GHADLP Cc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc(C(C)(C)C)[nH+]1 ZINC001164955862 722022971 /nfs/dbraw/zinc/02/29/71/722022971.db2.gz PWODDOGERXCARC-UHFFFAOYSA-N 2 2 379.552 3.970 20 0 GHADLP Cc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc(C(C)(C)C)[nH+]1 ZINC001164955862 722022973 /nfs/dbraw/zinc/02/29/73/722022973.db2.gz PWODDOGERXCARC-UHFFFAOYSA-N 2 2 379.552 3.970 20 0 GHADLP Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC000683089085 834439303 /nfs/dbraw/zinc/43/93/03/834439303.db2.gz IJZXQNUERPLGBP-UHFFFAOYSA-N 2 2 386.462 3.504 20 0 GHADLP Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC000683089085 834439304 /nfs/dbraw/zinc/43/93/04/834439304.db2.gz IJZXQNUERPLGBP-UHFFFAOYSA-N 2 2 386.462 3.504 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000569630277 834458639 /nfs/dbraw/zinc/45/86/39/834458639.db2.gz XLGQFJRORVJWTO-SJLPKXTDSA-N 2 2 387.487 3.845 20 0 GHADLP Clc1ccc(C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccn2)cc1 ZINC000655736180 837776664 /nfs/dbraw/zinc/77/66/64/837776664.db2.gz NPFFTHQLCATHIO-IFMALSPDSA-N 2 2 385.939 3.862 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)CCCC1)c1ccccc1 ZINC000583497932 834497770 /nfs/dbraw/zinc/49/77/70/834497770.db2.gz PEZUWXFUSQEIAI-MGPUTAFESA-N 2 2 387.474 3.744 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)CCCC1)c1ccccc1 ZINC000583497934 834498134 /nfs/dbraw/zinc/49/81/34/834498134.db2.gz PEZUWXFUSQEIAI-YWZLYKJASA-N 2 2 387.474 3.744 20 0 GHADLP Cc1cc(C)c(CNC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c[nH+]1 ZINC000458587752 834636667 /nfs/dbraw/zinc/63/66/67/834636667.db2.gz VOUILUUDJJPWGA-QZTJIDSGSA-N 2 2 380.536 3.654 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000172531437 834755243 /nfs/dbraw/zinc/75/52/43/834755243.db2.gz VXXOUAFUKQAZKI-KDURUIRLSA-N 2 2 384.593 3.801 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000172531437 834755246 /nfs/dbraw/zinc/75/52/46/834755246.db2.gz VXXOUAFUKQAZKI-KDURUIRLSA-N 2 2 384.593 3.801 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000635133531 834850221 /nfs/dbraw/zinc/85/02/21/834850221.db2.gz FJMVDVRJIKUTEH-QGZVFWFLSA-N 2 2 382.430 3.535 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1F ZINC000655768054 837834411 /nfs/dbraw/zinc/83/44/11/837834411.db2.gz OMJCDFUWVWTOJM-BBRMVZONSA-N 2 2 385.321 3.882 20 0 GHADLP C[NH+](C)[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655757665 837830675 /nfs/dbraw/zinc/83/06/75/837830675.db2.gz WROIUNCNNKYPPR-PMACEKPBSA-N 2 2 399.501 3.541 20 0 GHADLP CN(C)[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655757665 837830686 /nfs/dbraw/zinc/83/06/86/837830686.db2.gz WROIUNCNNKYPPR-PMACEKPBSA-N 2 2 399.501 3.541 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000685412455 834989211 /nfs/dbraw/zinc/98/92/11/834989211.db2.gz VHWDBQCRDGPGOF-IRXDYDNUSA-N 2 2 391.606 3.577 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000685412455 834989214 /nfs/dbraw/zinc/98/92/14/834989214.db2.gz VHWDBQCRDGPGOF-IRXDYDNUSA-N 2 2 391.606 3.577 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000685412455 834989216 /nfs/dbraw/zinc/98/92/16/834989216.db2.gz VHWDBQCRDGPGOF-IRXDYDNUSA-N 2 2 391.606 3.577 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000685412455 834989222 /nfs/dbraw/zinc/98/92/22/834989222.db2.gz VHWDBQCRDGPGOF-IRXDYDNUSA-N 2 2 391.606 3.577 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)cs2)cc1OC ZINC000685412267 834989497 /nfs/dbraw/zinc/98/94/97/834989497.db2.gz XNGVRMGALWXVRH-HNNXBMFYSA-N 2 2 384.505 3.550 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)cs2)cc1OC ZINC000685412267 834989504 /nfs/dbraw/zinc/98/95/04/834989504.db2.gz XNGVRMGALWXVRH-HNNXBMFYSA-N 2 2 384.505 3.550 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000685579240 835189070 /nfs/dbraw/zinc/18/90/70/835189070.db2.gz GLUKZKKOMUJEBI-FQEVSTJZSA-N 2 2 383.467 3.568 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(C(C)(C)C)c(Cl)c3)CC2)CC1 ZINC000685676812 835315220 /nfs/dbraw/zinc/31/52/20/835315220.db2.gz FCAHXTSTEXHRDA-UHFFFAOYSA-N 2 2 391.987 3.926 20 0 GHADLP C[C@H]1C[C@@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000510111703 835316515 /nfs/dbraw/zinc/31/65/15/835316515.db2.gz DWCLTAMKOKGOPR-PZJWPPBQSA-N 2 2 388.515 3.903 20 0 GHADLP C[C@H]1C[C@@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[N@H+]1Cc1ccccc1 ZINC000510111703 835316527 /nfs/dbraw/zinc/31/65/27/835316527.db2.gz DWCLTAMKOKGOPR-PZJWPPBQSA-N 2 2 388.515 3.903 20 0 GHADLP O=C(C[N@@H+]1CC[C@H]1c1ccccc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000471170109 835383521 /nfs/dbraw/zinc/38/35/21/835383521.db2.gz RURBHRDMMOLZHY-NRFANRHFSA-N 2 2 381.545 3.621 20 0 GHADLP O=C(C[N@H+]1CC[C@H]1c1ccccc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000471170109 835383532 /nfs/dbraw/zinc/38/35/32/835383532.db2.gz RURBHRDMMOLZHY-NRFANRHFSA-N 2 2 381.545 3.621 20 0 GHADLP c1cc(C2CCCCC2)ccc1CC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000658098517 835421928 /nfs/dbraw/zinc/42/19/28/835421928.db2.gz PKQHXQDQGZOOEY-UHFFFAOYSA-N 2 2 399.623 3.663 20 0 GHADLP c1cc(C2CCCCC2)ccc1CC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000658098517 835421934 /nfs/dbraw/zinc/42/19/34/835421934.db2.gz PKQHXQDQGZOOEY-UHFFFAOYSA-N 2 2 399.623 3.663 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471175967 835448671 /nfs/dbraw/zinc/44/86/71/835448671.db2.gz GWMUACDZEZKECC-QWHCGFSZSA-N 2 2 382.386 3.515 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471175967 835448676 /nfs/dbraw/zinc/44/86/76/835448676.db2.gz GWMUACDZEZKECC-QWHCGFSZSA-N 2 2 382.386 3.515 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CSC2 ZINC000658185583 835491651 /nfs/dbraw/zinc/49/16/51/835491651.db2.gz JCXBANWAANIZOW-FUHWJXTLSA-N 2 2 397.382 3.580 20 0 GHADLP CC(C)c1[nH+]c(CNc2ccc(C[NH+]3CCN(C)CC3)cc2)c2ccccn21 ZINC000584057529 835521092 /nfs/dbraw/zinc/52/10/92/835521092.db2.gz IVMCRXDSMHMKLV-UHFFFAOYSA-N 2 2 377.536 3.817 20 0 GHADLP CC(C)c1[nH+]c(CNc2ccc(CN3CC[NH+](C)CC3)cc2)c2ccccn21 ZINC000584057529 835521096 /nfs/dbraw/zinc/52/10/96/835521096.db2.gz IVMCRXDSMHMKLV-UHFFFAOYSA-N 2 2 377.536 3.817 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC(c1ccccc1)c1ccccc1 ZINC000471186790 835565603 /nfs/dbraw/zinc/56/56/03/835565603.db2.gz MLIORHXVRKFBQO-NRFANRHFSA-N 2 2 388.515 3.885 20 0 GHADLP O=C(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC(c1ccccc1)c1ccccc1 ZINC000471186790 835565610 /nfs/dbraw/zinc/56/56/10/835565610.db2.gz MLIORHXVRKFBQO-NRFANRHFSA-N 2 2 388.515 3.885 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H](C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658315695 835570664 /nfs/dbraw/zinc/57/06/64/835570664.db2.gz ABEMWGZMHAKKRB-VWNXMTODSA-N 3 2 397.607 3.522 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658315695 835570666 /nfs/dbraw/zinc/57/06/66/835570666.db2.gz ABEMWGZMHAKKRB-VWNXMTODSA-N 3 2 397.607 3.522 20 0 GHADLP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000548865944 835575829 /nfs/dbraw/zinc/57/58/29/835575829.db2.gz RUKZWQAEWJHJGB-SFHVURJKSA-N 2 2 377.492 3.957 20 0 GHADLP Cc1ccc(-c2noc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000548865944 835575840 /nfs/dbraw/zinc/57/58/40/835575840.db2.gz RUKZWQAEWJHJGB-SFHVURJKSA-N 2 2 377.492 3.957 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)C[N@@H+]1Cc1ccccc1 ZINC000510132137 835735678 /nfs/dbraw/zinc/73/56/78/835735678.db2.gz SIPKAERNWMAKJK-TZIWHRDSSA-N 2 2 388.515 3.903 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)C[N@H+]1Cc1ccccc1 ZINC000510132137 835735688 /nfs/dbraw/zinc/73/56/88/835735688.db2.gz SIPKAERNWMAKJK-TZIWHRDSSA-N 2 2 388.515 3.903 20 0 GHADLP Cn1cc([C@@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c2cccc(F)c2)cn1 ZINC000180425985 836168530 /nfs/dbraw/zinc/16/85/30/836168530.db2.gz GCEAIKXLBMMARF-YKSBVNFPSA-N 2 2 392.522 3.803 20 0 GHADLP Cn1cc([C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c2cccc(F)c2)cn1 ZINC000180425985 836168535 /nfs/dbraw/zinc/16/85/35/836168535.db2.gz GCEAIKXLBMMARF-YKSBVNFPSA-N 2 2 392.522 3.803 20 0 GHADLP Cc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000613494064 836567861 /nfs/dbraw/zinc/56/78/61/836567861.db2.gz TYMXFJBNJNXSLO-NRFANRHFSA-N 2 2 383.561 3.538 20 0 GHADLP Cc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000613494064 836567868 /nfs/dbraw/zinc/56/78/68/836567868.db2.gz TYMXFJBNJNXSLO-NRFANRHFSA-N 2 2 383.561 3.538 20 0 GHADLP CSc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)o1 ZINC000612959711 837018925 /nfs/dbraw/zinc/01/89/25/837018925.db2.gz MMLSOTMUXXUGHZ-RTBURBONSA-N 2 2 393.597 3.719 20 0 GHADLP CSc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)o1 ZINC000612959711 837018938 /nfs/dbraw/zinc/01/89/38/837018938.db2.gz MMLSOTMUXXUGHZ-RTBURBONSA-N 2 2 393.597 3.719 20 0 GHADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000683426766 837144766 /nfs/dbraw/zinc/14/47/66/837144766.db2.gz YNTZGGYVJLQMOM-AZUAARDMSA-N 2 2 384.568 3.626 20 0 GHADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000683426766 837144770 /nfs/dbraw/zinc/14/47/70/837144770.db2.gz YNTZGGYVJLQMOM-AZUAARDMSA-N 2 2 384.568 3.626 20 0 GHADLP Cc1ccc(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c(N(C)C)[nH+]1 ZINC000162233989 837250091 /nfs/dbraw/zinc/25/00/91/837250091.db2.gz HEIUJBLDMOUZTH-UHFFFAOYSA-N 2 2 381.524 3.584 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CC[NH+](C(C)(C)C)CC3)n2)C1 ZINC000613116708 837264983 /nfs/dbraw/zinc/26/49/83/837264983.db2.gz WFMUUHHSJFIAOA-OAHLLOKOSA-N 2 2 393.601 3.759 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CC[NH+](C(C)(C)C)CC3)n2)C1 ZINC000613116708 837264995 /nfs/dbraw/zinc/26/49/95/837264995.db2.gz WFMUUHHSJFIAOA-OAHLLOKOSA-N 2 2 393.601 3.759 20 0 GHADLP COc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1OC ZINC000685850931 837305068 /nfs/dbraw/zinc/30/50/68/837305068.db2.gz OHCZDEYJXXSQTA-TZIWHRDSSA-N 2 2 396.531 3.666 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1OC ZINC000685850931 837305082 /nfs/dbraw/zinc/30/50/82/837305082.db2.gz OHCZDEYJXXSQTA-TZIWHRDSSA-N 2 2 396.531 3.666 20 0 GHADLP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1OC ZINC000685850931 837305094 /nfs/dbraw/zinc/30/50/94/837305094.db2.gz OHCZDEYJXXSQTA-TZIWHRDSSA-N 2 2 396.531 3.666 20 0 GHADLP COc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1OC ZINC000685850931 837305098 /nfs/dbraw/zinc/30/50/98/837305098.db2.gz OHCZDEYJXXSQTA-TZIWHRDSSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(C)cc(OC(F)(F)F)c3)CC2)c1 ZINC001143473260 837354013 /nfs/dbraw/zinc/35/40/13/837354013.db2.gz ZFSANTYTWHNGIQ-UHFFFAOYSA-N 2 2 381.398 3.619 20 0 GHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000177486180 838003681 /nfs/dbraw/zinc/00/36/81/838003681.db2.gz RDJALQOWXVUVLA-SFHVURJKSA-N 2 2 383.536 3.646 20 0 GHADLP C[C@H](c1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1)[NH+]1CCOCC1 ZINC000549339863 838011352 /nfs/dbraw/zinc/01/13/52/838011352.db2.gz DONGLNKGPHSTAI-LJQANCHMSA-N 2 2 393.531 3.928 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655850351 838051533 /nfs/dbraw/zinc/05/15/33/838051533.db2.gz VDTNFRUACKETFH-LESCRADOSA-N 2 2 379.932 3.672 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655850351 838051547 /nfs/dbraw/zinc/05/15/47/838051547.db2.gz VDTNFRUACKETFH-LESCRADOSA-N 2 2 379.932 3.672 20 0 GHADLP COC(=O)C[N@H+](CCCn1cc[nH+]c1C)CCc1ccc(Cl)cc1Cl ZINC000535668912 844288787 /nfs/dbraw/zinc/28/87/87/844288787.db2.gz PVWOKHAWPWJSTE-UHFFFAOYSA-N 2 2 384.307 3.606 20 0 GHADLP COC(=O)C[N@@H+](CCCn1cc[nH+]c1C)CCc1ccc(Cl)cc1Cl ZINC000535668912 844288796 /nfs/dbraw/zinc/28/87/96/844288796.db2.gz PVWOKHAWPWJSTE-UHFFFAOYSA-N 2 2 384.307 3.606 20 0 GHADLP C[C@@H]1CC[C@H](C(F)(F)F)C[NH+]1CC(O)C[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000683668701 838236675 /nfs/dbraw/zinc/23/66/75/838236675.db2.gz DCZIAOPJNFVMSB-MQYQWHSLSA-N 2 2 390.412 3.673 20 0 GHADLP C[C@@H]1CC[C@H](C(F)(F)F)C[NH+]1CC(O)C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000683668701 838236685 /nfs/dbraw/zinc/23/66/85/838236685.db2.gz DCZIAOPJNFVMSB-MQYQWHSLSA-N 2 2 390.412 3.673 20 0 GHADLP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000415979025 838345679 /nfs/dbraw/zinc/34/56/79/838345679.db2.gz CUYGNWSZMMKNDZ-LEWJYISDSA-N 2 2 375.476 3.653 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)C1 ZINC000683707151 838364655 /nfs/dbraw/zinc/36/46/55/838364655.db2.gz WVPQTRGOIZSGRW-SBHAEUEKSA-N 2 2 392.632 3.649 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)C1 ZINC000683707151 838364664 /nfs/dbraw/zinc/36/46/64/838364664.db2.gz WVPQTRGOIZSGRW-SBHAEUEKSA-N 2 2 392.632 3.649 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H](C[NH2+]Cc3nc4ccccc4o3)C3(C2)CCOCC3)cc1 ZINC000639210830 838392256 /nfs/dbraw/zinc/39/22/56/838392256.db2.gz NIBUVTDGHMQJQH-HXUWFJFHSA-N 2 2 391.515 3.846 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]Cc3nc4ccccc4o3)C3(C2)CCOCC3)cc1 ZINC000639210830 838392265 /nfs/dbraw/zinc/39/22/65/838392265.db2.gz NIBUVTDGHMQJQH-HXUWFJFHSA-N 2 2 391.515 3.846 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cs2)cc1OC ZINC000584520676 838480311 /nfs/dbraw/zinc/48/03/11/838480311.db2.gz SVNJAMTYPYJQCR-GDBMZVCRSA-N 2 2 375.538 3.634 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cs2)cc1OC ZINC000584520676 838480315 /nfs/dbraw/zinc/48/03/15/838480315.db2.gz SVNJAMTYPYJQCR-GDBMZVCRSA-N 2 2 375.538 3.634 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cs2)cc1OC ZINC000584520678 838480960 /nfs/dbraw/zinc/48/09/60/838480960.db2.gz SVNJAMTYPYJQCR-HOCLYGCPSA-N 2 2 375.538 3.634 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cs2)cc1OC ZINC000584520678 838480964 /nfs/dbraw/zinc/48/09/64/838480964.db2.gz SVNJAMTYPYJQCR-HOCLYGCPSA-N 2 2 375.538 3.634 20 0 GHADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000431866072 839052135 /nfs/dbraw/zinc/05/21/35/839052135.db2.gz DQMLVNHMURZHCI-YADHBBJMSA-N 2 2 397.567 3.631 20 0 GHADLP CC[NH+](CC)CCCC1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000182462800 839078406 /nfs/dbraw/zinc/07/84/06/839078406.db2.gz OMAAXXFQFYKYRB-UHFFFAOYSA-N 2 2 397.567 3.916 20 0 GHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000378544925 839308558 /nfs/dbraw/zinc/30/85/58/839308558.db2.gz AOCJDLPDDLXWRY-UHFFFAOYSA-N 3 2 389.531 3.967 20 0 GHADLP Cc1cc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(C)c[nH+]1 ZINC000535774543 844431026 /nfs/dbraw/zinc/43/10/26/844431026.db2.gz LVYRFLUBKKNSJJ-QHCPKHFHSA-N 2 2 378.520 3.640 20 0 GHADLP Cc1cc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(C)c[nH+]1 ZINC000535774543 844431031 /nfs/dbraw/zinc/43/10/31/844431031.db2.gz LVYRFLUBKKNSJJ-QHCPKHFHSA-N 2 2 378.520 3.640 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cc12 ZINC000783029723 839640080 /nfs/dbraw/zinc/64/00/80/839640080.db2.gz CNXWRSSISFRETC-UHFFFAOYSA-N 2 2 386.931 3.819 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+]C[C@@H]2C[C@@]2(C)Br)CCOCC1)c1ccccc1 ZINC000892983440 839806291 /nfs/dbraw/zinc/80/62/91/839806291.db2.gz TXUVNUUKQLZFJU-RYQLBKOJSA-N 2 2 381.358 3.650 20 0 GHADLP C[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000759856742 840221827 /nfs/dbraw/zinc/22/18/27/840221827.db2.gz ZHUWAWMTURTSCW-OAQYLSRUSA-N 2 2 391.918 3.546 20 0 GHADLP C[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000759856742 840221839 /nfs/dbraw/zinc/22/18/39/840221839.db2.gz ZHUWAWMTURTSCW-OAQYLSRUSA-N 2 2 391.918 3.546 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(Br)cnc1OC ZINC000660416332 840227759 /nfs/dbraw/zinc/22/77/59/840227759.db2.gz HBBWYOIXVRHNRJ-UHFFFAOYSA-N 2 2 381.318 3.524 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(Br)cnc1OC ZINC000660416332 840227781 /nfs/dbraw/zinc/22/77/81/840227781.db2.gz HBBWYOIXVRHNRJ-UHFFFAOYSA-N 2 2 381.318 3.524 20 0 GHADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000417270633 840657587 /nfs/dbraw/zinc/65/75/87/840657587.db2.gz OMYXOFOYGDCGJE-HXUWFJFHSA-N 2 2 395.482 3.634 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000584768184 840810792 /nfs/dbraw/zinc/81/07/92/840810792.db2.gz NUMRFRNWIRNZHA-SFHVURJKSA-N 2 2 379.976 3.634 20 0 GHADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000584768184 840810804 /nfs/dbraw/zinc/81/08/04/840810804.db2.gz NUMRFRNWIRNZHA-SFHVURJKSA-N 2 2 379.976 3.634 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660657153 841065184 /nfs/dbraw/zinc/06/51/84/841065184.db2.gz NYSMVJDWDFTNPK-XLNZFTOWSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660657153 841065193 /nfs/dbraw/zinc/06/51/93/841065193.db2.gz NYSMVJDWDFTNPK-XLNZFTOWSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660657153 841065198 /nfs/dbraw/zinc/06/51/98/841065198.db2.gz NYSMVJDWDFTNPK-XLNZFTOWSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660657153 841065210 /nfs/dbraw/zinc/06/52/10/841065210.db2.gz NYSMVJDWDFTNPK-XLNZFTOWSA-N 2 2 379.548 3.823 20 0 GHADLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000660693163 841104424 /nfs/dbraw/zinc/10/44/24/841104424.db2.gz WXBFCYKHZQOXBA-UHFFFAOYSA-N 2 2 392.547 3.574 20 0 GHADLP FC(F)SCc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000069747693 841256485 /nfs/dbraw/zinc/25/64/85/841256485.db2.gz XQBYFMRISSHDQB-UHFFFAOYSA-N 2 2 382.476 3.857 20 0 GHADLP CCn1c[nH+]cc1CNc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000417970656 841341693 /nfs/dbraw/zinc/34/16/93/841341693.db2.gz ROENIXQEAKNAJG-UHFFFAOYSA-N 2 2 389.547 3.880 20 0 GHADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(Br)cn3)CC2)C[C@@H](C)O1 ZINC000177490527 861193422 /nfs/dbraw/zinc/19/34/22/861193422.db2.gz NVKXGMOFLYEHBT-HZPDHXFCSA-N 2 2 396.373 3.555 20 0 GHADLP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000511651090 841362666 /nfs/dbraw/zinc/36/26/66/841362666.db2.gz ZQDKTEKXJDIWKA-QHCPKHFHSA-N 2 2 395.522 3.525 20 0 GHADLP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000511651090 841362678 /nfs/dbraw/zinc/36/26/78/841362678.db2.gz ZQDKTEKXJDIWKA-QHCPKHFHSA-N 2 2 395.522 3.525 20 0 GHADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000511651090 841362691 /nfs/dbraw/zinc/36/26/91/841362691.db2.gz ZQDKTEKXJDIWKA-QHCPKHFHSA-N 2 2 395.522 3.525 20 0 GHADLP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000511651090 841362705 /nfs/dbraw/zinc/36/27/05/841362705.db2.gz ZQDKTEKXJDIWKA-QHCPKHFHSA-N 2 2 395.522 3.525 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)N1c2ccccc2C[C@H]1C ZINC000432350595 842133913 /nfs/dbraw/zinc/13/39/13/842133913.db2.gz ZGOAPDLHTKCADG-ISHFTEKXSA-N 2 2 391.559 3.995 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)N1c2ccccc2C[C@H]1C ZINC000432350595 842133920 /nfs/dbraw/zinc/13/39/20/842133920.db2.gz ZGOAPDLHTKCADG-ISHFTEKXSA-N 2 2 391.559 3.995 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000730817721 861301394 /nfs/dbraw/zinc/30/13/94/861301394.db2.gz SNYDOMGYMAYIMG-UHFFFAOYSA-N 2 2 397.604 3.503 20 0 GHADLP CCN1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000511943374 842508384 /nfs/dbraw/zinc/50/83/84/842508384.db2.gz NMWKSYJKOOSEDP-PKOBYXMFSA-N 2 2 396.963 3.922 20 0 GHADLP c1ccc(C[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C2CC2)cc1 ZINC000481415901 861331379 /nfs/dbraw/zinc/33/13/79/861331379.db2.gz OLRYSNPBMKUURU-XMMPIXPASA-N 2 2 380.532 3.509 20 0 GHADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[NH+](C)C ZINC000510508943 842875808 /nfs/dbraw/zinc/87/58/08/842875808.db2.gz CGEIYLSWVIRFPH-XMSQKQJNSA-N 2 2 376.504 3.661 20 0 GHADLP C[C@H](CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000430759516 842944069 /nfs/dbraw/zinc/94/40/69/842944069.db2.gz YGCJOSKZAXHMNB-BEFAXECRSA-N 2 2 395.950 3.758 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000471861415 842946189 /nfs/dbraw/zinc/94/61/89/842946189.db2.gz HIJYXHUZFMOPFT-YADHBBJMSA-N 2 2 390.531 3.833 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000471861415 842946203 /nfs/dbraw/zinc/94/62/03/842946203.db2.gz HIJYXHUZFMOPFT-YADHBBJMSA-N 2 2 390.531 3.833 20 0 GHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Br)c(Br)s1 ZINC000227807123 842982326 /nfs/dbraw/zinc/98/23/26/842982326.db2.gz WCBZRCILKKRLMU-MRVPVSSYSA-N 2 2 379.121 3.648 20 0 GHADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662266318 843036447 /nfs/dbraw/zinc/03/64/47/843036447.db2.gz LYIJWQUXNVDSAE-QWRGUYRKSA-N 2 2 381.236 3.559 20 0 GHADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662266318 843036455 /nfs/dbraw/zinc/03/64/55/843036455.db2.gz LYIJWQUXNVDSAE-QWRGUYRKSA-N 2 2 381.236 3.559 20 0 GHADLP CC[NH+](CC)CCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000131164925 843128205 /nfs/dbraw/zinc/12/82/05/843128205.db2.gz SEWJSLBPHFXYRA-CQSZACIVSA-N 2 2 381.977 3.977 20 0 GHADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000510654973 843137882 /nfs/dbraw/zinc/13/78/82/843137882.db2.gz DVSUWRXPHLDUFO-LPHOPBHVSA-N 2 2 399.501 3.559 20 0 GHADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000510654973 843137888 /nfs/dbraw/zinc/13/78/88/843137888.db2.gz DVSUWRXPHLDUFO-LPHOPBHVSA-N 2 2 399.501 3.559 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000029810729 843199475 /nfs/dbraw/zinc/19/94/75/843199475.db2.gz VPPIYWGLSKCDDZ-AUSIDOKSSA-N 2 2 377.532 3.511 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000029810729 843199479 /nfs/dbraw/zinc/19/94/79/843199479.db2.gz VPPIYWGLSKCDDZ-AUSIDOKSSA-N 2 2 377.532 3.511 20 0 GHADLP Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512296448 843331703 /nfs/dbraw/zinc/33/17/03/843331703.db2.gz YRSZJRYRNQTMNS-VWLOTQADSA-N 2 2 391.559 3.551 20 0 GHADLP Cc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512296448 843331713 /nfs/dbraw/zinc/33/17/13/843331713.db2.gz YRSZJRYRNQTMNS-VWLOTQADSA-N 2 2 391.559 3.551 20 0 GHADLP Cc1ccccc1CN(C)C(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512296448 843331724 /nfs/dbraw/zinc/33/17/24/843331724.db2.gz YRSZJRYRNQTMNS-VWLOTQADSA-N 2 2 391.559 3.551 20 0 GHADLP Cc1ccccc1CN(C)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512296448 843331737 /nfs/dbraw/zinc/33/17/37/843331737.db2.gz YRSZJRYRNQTMNS-VWLOTQADSA-N 2 2 391.559 3.551 20 0 GHADLP Cc1ccc(NC(=O)C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1F ZINC000432669588 843389465 /nfs/dbraw/zinc/38/94/65/843389465.db2.gz LFTKAECIYWTPCM-IBGZPJMESA-N 2 2 387.524 3.778 20 0 GHADLP Cc1ccc(NC(=O)C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1F ZINC000432669588 843389470 /nfs/dbraw/zinc/38/94/70/843389470.db2.gz LFTKAECIYWTPCM-IBGZPJMESA-N 2 2 387.524 3.778 20 0 GHADLP C[C@](CO)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Br)cc1 ZINC000512869386 843908578 /nfs/dbraw/zinc/90/85/78/843908578.db2.gz RCKYQVFTCFQPDY-QGZVFWFLSA-N 2 2 392.322 3.694 20 0 GHADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000067066146 843954484 /nfs/dbraw/zinc/95/44/84/843954484.db2.gz MAKWBQMBEHCLBZ-UHFFFAOYSA-N 2 2 391.519 3.666 20 0 GHADLP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)Cc1ccc(C(C)(C)C)cc1 ZINC000512903588 843954925 /nfs/dbraw/zinc/95/49/25/843954925.db2.gz BXARRTFFAJMSAO-FNXHNPQUSA-N 2 2 399.623 3.836 20 0 GHADLP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)Cc1ccc(C(C)(C)C)cc1 ZINC000512903588 843954928 /nfs/dbraw/zinc/95/49/28/843954928.db2.gz BXARRTFFAJMSAO-FNXHNPQUSA-N 2 2 399.623 3.836 20 0 GHADLP CN1CC[N@@H+](C)C[C@@H]1CNc1cc(C2CC2)[nH+]c2c(Br)cccc12 ZINC000432825647 843993467 /nfs/dbraw/zinc/99/34/67/843993467.db2.gz XGEFEGBHNVXHLZ-AWEZNQCLSA-N 2 2 389.341 3.532 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000152105940 844730601 /nfs/dbraw/zinc/73/06/01/844730601.db2.gz ZQDQHZYFHVSEQS-GHTZIAJQSA-N 2 2 383.540 3.518 20 0 GHADLP Cc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000535855300 844802960 /nfs/dbraw/zinc/80/29/60/844802960.db2.gz NFSOTAAIEBPTPO-XZOQPEGZSA-N 2 2 396.579 3.886 20 0 GHADLP Cc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000535855300 844802970 /nfs/dbraw/zinc/80/29/70/844802970.db2.gz NFSOTAAIEBPTPO-XZOQPEGZSA-N 2 2 396.579 3.886 20 0 GHADLP CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)[NH+](C)C)cc1 ZINC000513373141 845325671 /nfs/dbraw/zinc/32/56/71/845325671.db2.gz QGVCFQSIQGQHIR-OAQYLSRUSA-N 2 2 397.567 3.800 20 0 GHADLP CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000179389256 861559656 /nfs/dbraw/zinc/55/96/56/861559656.db2.gz DJHVOTCZQPRKQC-UHFFFAOYSA-N 2 2 396.535 3.650 20 0 GHADLP CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000179389256 861559664 /nfs/dbraw/zinc/55/96/64/861559664.db2.gz DJHVOTCZQPRKQC-UHFFFAOYSA-N 2 2 396.535 3.650 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OC(F)(F)F)cc1 ZINC000513466866 845491244 /nfs/dbraw/zinc/49/12/44/845491244.db2.gz LQQQZFOSTWLBJT-HNAYVOBHSA-N 2 2 394.437 3.655 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OC(F)(F)F)cc1 ZINC000513466866 845491245 /nfs/dbraw/zinc/49/12/45/845491245.db2.gz LQQQZFOSTWLBJT-HNAYVOBHSA-N 2 2 394.437 3.655 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(C)c1 ZINC000433958483 845668603 /nfs/dbraw/zinc/66/86/03/845668603.db2.gz OOBWVPPYKOQQMT-IFMALSPDSA-N 2 2 395.551 3.557 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c(C)c1 ZINC000433958483 845668605 /nfs/dbraw/zinc/66/86/05/845668605.db2.gz OOBWVPPYKOQQMT-IFMALSPDSA-N 2 2 395.551 3.557 20 0 GHADLP Fc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1OC(F)F ZINC000657293544 845766601 /nfs/dbraw/zinc/76/66/01/845766601.db2.gz QMOAVHOCEQMMGA-UHFFFAOYSA-N 2 2 380.410 3.549 20 0 GHADLP O=C(NCc1ccco1)c1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157094199 845846633 /nfs/dbraw/zinc/84/66/33/845846633.db2.gz VQQZTVXDKKEBRX-OAQYLSRUSA-N 2 2 381.520 3.660 20 0 GHADLP O=C(NCc1ccco1)c1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157094199 845846640 /nfs/dbraw/zinc/84/66/40/845846640.db2.gz VQQZTVXDKKEBRX-OAQYLSRUSA-N 2 2 381.520 3.660 20 0 GHADLP COc1ccc([C@@H](CNc2cc[nH+]c3ccc(Cl)cc23)[NH+]2CCOCC2)cc1 ZINC000513652690 846195312 /nfs/dbraw/zinc/19/53/12/846195312.db2.gz NPFSNOIQZPLTJM-JOCHJYFZSA-N 2 2 397.906 3.804 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cnn(C2CCCC2)c1 ZINC000502696694 846358366 /nfs/dbraw/zinc/35/83/66/846358366.db2.gz LNDFDSNPVRHWCE-FQEVSTJZSA-N 2 2 381.568 3.861 20 0 GHADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c(OC)c1OC ZINC000582121913 846418770 /nfs/dbraw/zinc/41/87/70/846418770.db2.gz PDIDNIOJDOKTIT-FQEVSTJZSA-N 2 2 396.531 3.999 20 0 GHADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c(OC)c1OC ZINC000582121913 846418775 /nfs/dbraw/zinc/41/87/75/846418775.db2.gz PDIDNIOJDOKTIT-FQEVSTJZSA-N 2 2 396.531 3.999 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccsc1 ZINC000673768176 861682341 /nfs/dbraw/zinc/68/23/41/861682341.db2.gz AODGMTWPNAPWRF-IBGZPJMESA-N 2 2 399.564 3.629 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]34)CC2)CC1 ZINC000422026199 846756500 /nfs/dbraw/zinc/75/65/00/846756500.db2.gz UJLCAPHDNLLWRT-KSEOMHKRSA-N 2 2 375.601 3.612 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]34)CC2)CC1 ZINC000422026199 846756505 /nfs/dbraw/zinc/75/65/05/846756505.db2.gz UJLCAPHDNLLWRT-KSEOMHKRSA-N 2 2 375.601 3.612 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000422129987 846830955 /nfs/dbraw/zinc/83/09/55/846830955.db2.gz AHOKYJCFAAZTSD-QFIPXVFZSA-N 2 2 386.584 3.585 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000422129987 846830964 /nfs/dbraw/zinc/83/09/64/846830964.db2.gz AHOKYJCFAAZTSD-QFIPXVFZSA-N 2 2 386.584 3.585 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000271877679 846941161 /nfs/dbraw/zinc/94/11/61/846941161.db2.gz YDPKPLDJFFINJD-GOSISDBHSA-N 2 2 391.519 3.551 20 0 GHADLP Cc1c(Br)cncc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000657412305 847070033 /nfs/dbraw/zinc/07/00/33/847070033.db2.gz HYTVOJXFULLOCD-HNNXBMFYSA-N 2 2 389.341 3.863 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(Cl)cc1Cl ZINC000420353392 847134228 /nfs/dbraw/zinc/13/42/28/847134228.db2.gz AZYZITIJYPOETD-NJSLBKSFSA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(Cl)cc1Cl ZINC000420353392 847134234 /nfs/dbraw/zinc/13/42/34/847134234.db2.gz AZYZITIJYPOETD-NJSLBKSFSA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420353387 847134722 /nfs/dbraw/zinc/13/47/22/847134722.db2.gz AZYZITIJYPOETD-KSMMKXTCSA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420353387 847134727 /nfs/dbraw/zinc/13/47/27/847134727.db2.gz AZYZITIJYPOETD-KSMMKXTCSA-N 2 2 384.351 3.635 20 0 GHADLP CN(C(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000420362015 847140154 /nfs/dbraw/zinc/14/01/54/847140154.db2.gz NWRQHEILJVOWJU-QFIPXVFZSA-N 2 2 379.548 3.732 20 0 GHADLP [NH3+]C[C@@H]([NH2+]CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C1CCCCC1 ZINC000420366877 847141966 /nfs/dbraw/zinc/14/19/66/847141966.db2.gz UYXBDRLZGUFWOB-NQIIRXRSSA-N 2 2 389.540 3.590 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1Cc1ccccc1 ZINC000420385813 847151598 /nfs/dbraw/zinc/15/15/98/847151598.db2.gz FIVVJWGAKNBPSS-GMAHTHKFSA-N 2 2 377.532 3.680 20 0 GHADLP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1Cc1ccccc1 ZINC000420385813 847151602 /nfs/dbraw/zinc/15/16/02/847151602.db2.gz FIVVJWGAKNBPSS-GMAHTHKFSA-N 2 2 377.532 3.680 20 0 GHADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000158688363 847226171 /nfs/dbraw/zinc/22/61/71/847226171.db2.gz DJMIGUJONPNZTQ-SFHVURJKSA-N 2 2 386.561 3.795 20 0 GHADLP c1coc(C2=CCC[NH+](CC3(C[N@@H+]4CCC=C(c5ccco5)C4)COC3)C2)c1 ZINC000511143213 847455708 /nfs/dbraw/zinc/45/57/08/847455708.db2.gz QCCGRNSEDRWJQU-UHFFFAOYSA-N 2 2 380.488 3.768 20 0 GHADLP c1coc(C2=CCC[NH+](CC3(C[N@H+]4CCC=C(c5ccco5)C4)COC3)C2)c1 ZINC000511143213 847455717 /nfs/dbraw/zinc/45/57/17/847455717.db2.gz QCCGRNSEDRWJQU-UHFFFAOYSA-N 2 2 380.488 3.768 20 0 GHADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000648404435 847455922 /nfs/dbraw/zinc/45/59/22/847455922.db2.gz SUNZZYAYPBFNSK-SJORKVTESA-N 2 2 383.517 3.730 20 0 GHADLP c1ccc(CCOC2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000420904294 847522353 /nfs/dbraw/zinc/52/23/53/847522353.db2.gz PLVYTYHKWDHITJ-UHFFFAOYSA-N 2 2 394.559 3.743 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000503254097 847524199 /nfs/dbraw/zinc/52/41/99/847524199.db2.gz DEHQKYFUDRVMJF-MSOLQXFVSA-N 2 2 398.378 3.581 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000503254097 847524208 /nfs/dbraw/zinc/52/42/08/847524208.db2.gz DEHQKYFUDRVMJF-MSOLQXFVSA-N 2 2 398.378 3.581 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3F)CC2)CC1 ZINC000421039308 847651946 /nfs/dbraw/zinc/65/19/46/847651946.db2.gz KPWAUANYMKJZEG-UHFFFAOYSA-N 2 2 382.911 3.503 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3F)CC2)CC1 ZINC000421039308 847651950 /nfs/dbraw/zinc/65/19/50/847651950.db2.gz KPWAUANYMKJZEG-UHFFFAOYSA-N 2 2 382.911 3.503 20 0 GHADLP COc1cc(C)c(C[C@@H](C)[NH2+]CC2([NH+](C)C)Cc3ccccc3C2)cc1OC ZINC000502278976 847685113 /nfs/dbraw/zinc/68/51/13/847685113.db2.gz UYCZWYCWBZOBET-GOSISDBHSA-N 2 2 382.548 3.632 20 0 GHADLP CC1CCC(N(C(=O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C2CC2)CC1 ZINC000503435909 847694268 /nfs/dbraw/zinc/69/42/68/847694268.db2.gz JDQBGAUGXPPGMI-IOJLRTSASA-N 2 2 398.595 3.969 20 0 GHADLP CC1CCC(N(C(=O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C2CC2)CC1 ZINC000503435909 847694274 /nfs/dbraw/zinc/69/42/74/847694274.db2.gz JDQBGAUGXPPGMI-IOJLRTSASA-N 2 2 398.595 3.969 20 0 GHADLP COc1ccc([C@@H](NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422826808 847842784 /nfs/dbraw/zinc/84/27/84/847842784.db2.gz CQPYIMMMZLIUFI-DHIUTWEWSA-N 2 2 376.504 3.523 20 0 GHADLP COc1ccc([C@H](NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422899429 847877923 /nfs/dbraw/zinc/87/79/23/847877923.db2.gz HNNVURHNAUTIQK-IRLDBZIGSA-N 2 2 380.467 3.603 20 0 GHADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)s2)cc1 ZINC000422978512 847927038 /nfs/dbraw/zinc/92/70/38/847927038.db2.gz HNVQKXGZNPKOFZ-JKIFEVAISA-N 2 2 375.538 3.545 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](CC(C)(C)C)c3ccccc3)C2)CC1 ZINC000604173696 861928918 /nfs/dbraw/zinc/92/89/18/861928918.db2.gz SNITXNYKLLJRKY-PZJWPPBQSA-N 2 2 386.584 3.632 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](CC(C)(C)C)c3ccccc3)C2)CC1 ZINC000604173696 861928931 /nfs/dbraw/zinc/92/89/31/861928931.db2.gz SNITXNYKLLJRKY-PZJWPPBQSA-N 2 2 386.584 3.632 20 0 GHADLP C[C@@H](C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732062702 862051814 /nfs/dbraw/zinc/05/18/14/862051814.db2.gz WJNMFEHQUKFKKZ-UGKGYDQZSA-N 2 2 396.579 3.757 20 0 GHADLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1I ZINC000423184420 849775857 /nfs/dbraw/zinc/77/58/57/849775857.db2.gz HZDBERHZIJDPRF-CQSZACIVSA-N 2 2 395.288 3.517 20 0 GHADLP C[NH+](C)C1CC[NH+](CCNc2cc[nH+]c3cc(OC(F)(F)F)ccc23)CC1 ZINC000899874530 862059736 /nfs/dbraw/zinc/05/97/36/862059736.db2.gz ZAZYPNLCQRKVGZ-UHFFFAOYSA-N 3 2 382.430 3.571 20 0 GHADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423397086 849901194 /nfs/dbraw/zinc/90/11/94/849901194.db2.gz OBKOMNNGQOTLFL-IIBYNOLFSA-N 2 2 377.488 3.855 20 0 GHADLP Cc1ccc([C@H]([NH2+]CCC[NH2+]C2CC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000423549103 849978075 /nfs/dbraw/zinc/97/80/75/849978075.db2.gz HJKUWUZWIMHGGT-JOCHJYFZSA-N 2 2 386.561 3.528 20 0 GHADLP COc1ccccc1[C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)[NH+]1CCCCC1 ZINC000518792679 850135952 /nfs/dbraw/zinc/13/59/52/850135952.db2.gz PIPVXKZNQNFPNP-HXUWFJFHSA-N 2 2 392.503 3.608 20 0 GHADLP C[NH+](C)C[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000514828142 850333561 /nfs/dbraw/zinc/33/35/61/850333561.db2.gz MLMQWTMRDUKVJW-SFHVURJKSA-N 2 2 382.895 3.601 20 0 GHADLP C[C@H]([NH2+]CCNC(=O)CCCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000424314488 850356663 /nfs/dbraw/zinc/35/66/63/850356663.db2.gz BDBFWXDKANEZBE-IBGZPJMESA-N 2 2 376.504 3.662 20 0 GHADLP C[C@@H](C(=O)NCCCCNc1cccc[nH+]1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000518945337 850396556 /nfs/dbraw/zinc/39/65/56/850396556.db2.gz LJRGVURNVJMXBP-FQEVSTJZSA-N 2 2 394.563 3.733 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1Br ZINC000481722963 862129367 /nfs/dbraw/zinc/12/93/67/862129367.db2.gz CFKYARDYEHCJNE-OXJNMPFZSA-N 2 2 388.353 3.887 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1Br ZINC000481722963 862129373 /nfs/dbraw/zinc/12/93/73/862129373.db2.gz CFKYARDYEHCJNE-OXJNMPFZSA-N 2 2 388.353 3.887 20 0 GHADLP COc1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1OC(F)F ZINC000435394537 850461136 /nfs/dbraw/zinc/46/11/36/850461136.db2.gz NUOCBWXAELJWHU-GOSISDBHSA-N 2 2 391.462 3.836 20 0 GHADLP COc1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1OC(F)F ZINC000435394537 850461143 /nfs/dbraw/zinc/46/11/43/850461143.db2.gz NUOCBWXAELJWHU-GOSISDBHSA-N 2 2 391.462 3.836 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)[C@@H]1CC12CC[NH2+]CC2 ZINC000435424938 850507886 /nfs/dbraw/zinc/50/78/86/850507886.db2.gz XIUIBWJIRZUXOM-OAQYLSRUSA-N 2 2 394.563 3.761 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)[C@@H]1CC12CC[NH2+]CC2 ZINC000435424938 850507895 /nfs/dbraw/zinc/50/78/95/850507895.db2.gz XIUIBWJIRZUXOM-OAQYLSRUSA-N 2 2 394.563 3.761 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000514947214 850522883 /nfs/dbraw/zinc/52/28/83/850522883.db2.gz QXGYXFXSSZCREJ-RXVVDRJESA-N 2 2 388.515 3.827 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000514947214 850522889 /nfs/dbraw/zinc/52/28/89/850522889.db2.gz QXGYXFXSSZCREJ-RXVVDRJESA-N 2 2 388.515 3.827 20 0 GHADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000519178861 850706772 /nfs/dbraw/zinc/70/67/72/850706772.db2.gz PSZPZYUMNMGBGF-KUHUBIRLSA-N 2 2 390.478 3.598 20 0 GHADLP C[N@H+](CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435629185 850724744 /nfs/dbraw/zinc/72/47/44/850724744.db2.gz WYWTWZWYAZXBOF-IFMALSPDSA-N 2 2 385.939 3.620 20 0 GHADLP C[N@@H+](CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435629185 850724770 /nfs/dbraw/zinc/72/47/70/850724770.db2.gz WYWTWZWYAZXBOF-IFMALSPDSA-N 2 2 385.939 3.620 20 0 GHADLP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000487649980 850798827 /nfs/dbraw/zinc/79/88/27/850798827.db2.gz UZYKHAWYDZUXMF-FQEVSTJZSA-N 2 2 379.976 3.564 20 0 GHADLP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000487649980 850798837 /nfs/dbraw/zinc/79/88/37/850798837.db2.gz UZYKHAWYDZUXMF-FQEVSTJZSA-N 2 2 379.976 3.564 20 0 GHADLP C[C@@H]([NH2+]Cc1cn2ccc(Br)cc2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000519482979 851118682 /nfs/dbraw/zinc/11/86/82/851118682.db2.gz HUYOGPSEUPRUCY-HUUCEWRRSA-N 2 2 391.357 3.839 20 0 GHADLP C[C@@H]([NH2+]Cc1cn2ccc(Br)cc2n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000519482979 851118685 /nfs/dbraw/zinc/11/86/85/851118685.db2.gz HUYOGPSEUPRUCY-HUUCEWRRSA-N 2 2 391.357 3.839 20 0 GHADLP CC[C@@H](C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[NH+](CC)CC ZINC000436019019 851128023 /nfs/dbraw/zinc/12/80/23/851128023.db2.gz VBQQDKGXYUYIPE-IBGZPJMESA-N 2 2 376.932 3.686 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(I)c(Cl)c2)CC[N@@H+]1C ZINC000436154183 851265638 /nfs/dbraw/zinc/26/56/38/851265638.db2.gz QNFWCGBAJGZCOT-DGCLKSJQSA-N 2 2 392.712 3.859 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(I)c(Cl)c2)CC[N@H+]1C ZINC000436154183 851265643 /nfs/dbraw/zinc/26/56/43/851265643.db2.gz QNFWCGBAJGZCOT-DGCLKSJQSA-N 2 2 392.712 3.859 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(I)c(Cl)c2)CC[NH+]1C ZINC000436154183 851265649 /nfs/dbraw/zinc/26/56/49/851265649.db2.gz QNFWCGBAJGZCOT-DGCLKSJQSA-N 2 2 392.712 3.859 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(I)c(Cl)c2)CC[NH+]1C ZINC000436154183 851265655 /nfs/dbraw/zinc/26/56/55/851265655.db2.gz QNFWCGBAJGZCOT-DGCLKSJQSA-N 2 2 392.712 3.859 20 0 GHADLP O=C(C[N@@H+]1CCC[C@@H]1CC1CCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488404502 851473511 /nfs/dbraw/zinc/47/35/11/851473511.db2.gz POQNQMRNIRDJQT-HSZRJFAPSA-N 2 2 399.579 3.892 20 0 GHADLP O=C(C[N@H+]1CCC[C@@H]1CC1CCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488404502 851473522 /nfs/dbraw/zinc/47/35/22/851473522.db2.gz POQNQMRNIRDJQT-HSZRJFAPSA-N 2 2 399.579 3.892 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434691152 851480821 /nfs/dbraw/zinc/48/08/21/851480821.db2.gz OBABUAXNHFLJLH-UHFFFAOYSA-N 2 2 375.520 3.844 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)NCCCn1cc[nH+]c1C)c1ccccc1Cl ZINC000515840977 851550794 /nfs/dbraw/zinc/55/07/94/851550794.db2.gz CRVTXWRZKCSPLY-LJQANCHMSA-N 2 2 391.947 3.617 20 0 GHADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000111465823 851669284 /nfs/dbraw/zinc/66/92/84/851669284.db2.gz PJZPHGKQDMPWHP-LJQANCHMSA-N 2 2 397.567 3.631 20 0 GHADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000111465823 851669287 /nfs/dbraw/zinc/66/92/87/851669287.db2.gz PJZPHGKQDMPWHP-LJQANCHMSA-N 2 2 397.567 3.631 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2c[nH]nc2-c2ccsc2)[C@@H]1c1cnn(C)c1 ZINC000437982258 851917939 /nfs/dbraw/zinc/91/79/39/851917939.db2.gz YOJYYMKVHFATBJ-HRAATJIYSA-N 2 2 398.580 3.777 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2c[nH]nc2-c2ccsc2)[C@@H]1c1cnn(C)c1 ZINC000437982258 851917946 /nfs/dbraw/zinc/91/79/46/851917946.db2.gz YOJYYMKVHFATBJ-HRAATJIYSA-N 2 2 398.580 3.777 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2c[nH]nc2-c2ccsc2)[C@@H]1c1cnn(C)c1 ZINC000437982258 851917956 /nfs/dbraw/zinc/91/79/56/851917956.db2.gz YOJYYMKVHFATBJ-HRAATJIYSA-N 2 2 398.580 3.777 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2c[nH]nc2-c2ccsc2)[C@@H]1c1cnn(C)c1 ZINC000437982258 851917968 /nfs/dbraw/zinc/91/79/68/851917968.db2.gz YOJYYMKVHFATBJ-HRAATJIYSA-N 2 2 398.580 3.777 20 0 GHADLP CCOc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1OC ZINC000517538002 852067197 /nfs/dbraw/zinc/06/71/97/852067197.db2.gz BVCIDKGGKPKEQS-UHFFFAOYSA-N 2 2 397.563 3.704 20 0 GHADLP CN(C(=O)c1cc(F)ccc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489148863 852067428 /nfs/dbraw/zinc/06/74/28/852067428.db2.gz QOJBJSYBGWBNAI-UXHICEINSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1cc(F)ccc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489148863 852067433 /nfs/dbraw/zinc/06/74/33/852067433.db2.gz QOJBJSYBGWBNAI-UXHICEINSA-N 2 2 395.950 3.888 20 0 GHADLP CCCCC1CCC(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000101993625 852077969 /nfs/dbraw/zinc/07/79/69/852077969.db2.gz LMIVNIYUVBBCAE-UHFFFAOYSA-N 2 2 392.632 3.841 20 0 GHADLP Cc1ccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000669003217 852569248 /nfs/dbraw/zinc/56/92/48/852569248.db2.gz ICBDMCRMRFVHHQ-LJQANCHMSA-N 2 2 392.503 3.819 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C ZINC000516620866 852803912 /nfs/dbraw/zinc/80/39/12/852803912.db2.gz PJDLYWQPUCMLMN-RDPSFJRHSA-N 2 2 391.515 3.723 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C ZINC000516620866 852803921 /nfs/dbraw/zinc/80/39/21/852803921.db2.gz PJDLYWQPUCMLMN-RDPSFJRHSA-N 2 2 391.515 3.723 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@@H]1C ZINC000516620867 852804354 /nfs/dbraw/zinc/80/43/54/852804354.db2.gz PJDLYWQPUCMLMN-YKSBVNFPSA-N 2 2 391.515 3.723 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@@H]1C ZINC000516620867 852804358 /nfs/dbraw/zinc/80/43/58/852804358.db2.gz PJDLYWQPUCMLMN-YKSBVNFPSA-N 2 2 391.515 3.723 20 0 GHADLP Cc1cccn2cc(CC(=O)NC3CC[NH+]([C@H](C)c4ccccc4)CC3)[nH+]c12 ZINC000604713845 862414972 /nfs/dbraw/zinc/41/49/72/862414972.db2.gz QKTFXKDAZQSSQA-GOSISDBHSA-N 2 2 376.504 3.527 20 0 GHADLP C[C@@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000490566810 853110596 /nfs/dbraw/zinc/11/05/96/853110596.db2.gz PVNMTAGQODFFBN-KURKYZTESA-N 2 2 394.523 3.523 20 0 GHADLP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439060894 853229040 /nfs/dbraw/zinc/22/90/40/853229040.db2.gz KTULOIXYFYMUBZ-PKOBYXMFSA-N 2 2 393.535 3.977 20 0 GHADLP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439060894 853229046 /nfs/dbraw/zinc/22/90/46/853229046.db2.gz KTULOIXYFYMUBZ-PKOBYXMFSA-N 2 2 393.535 3.977 20 0 GHADLP CN(Cc1ccccc1F)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000519693686 853399614 /nfs/dbraw/zinc/39/96/14/853399614.db2.gz RUCZQDSCHBITDH-JOCHJYFZSA-N 2 2 397.538 3.674 20 0 GHADLP CN(Cc1ccccc1F)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000519693686 853399626 /nfs/dbraw/zinc/39/96/26/853399626.db2.gz RUCZQDSCHBITDH-JOCHJYFZSA-N 2 2 397.538 3.674 20 0 GHADLP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]([NH3+])c3c(F)cccc3F)cc2)CC1 ZINC000517134851 853419934 /nfs/dbraw/zinc/41/99/34/853419934.db2.gz RXOUNVOBQXKUNN-OAQYLSRUSA-N 2 2 387.474 3.513 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491058975 853430807 /nfs/dbraw/zinc/43/08/07/853430807.db2.gz QDIRNIIGRGAJHL-PZJWPPBQSA-N 2 2 389.559 3.761 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491058975 853430814 /nfs/dbraw/zinc/43/08/14/853430814.db2.gz QDIRNIIGRGAJHL-PZJWPPBQSA-N 2 2 389.559 3.761 20 0 GHADLP Cc1cccc(-c2n[nH]cc2C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000506129291 853525304 /nfs/dbraw/zinc/52/53/04/853525304.db2.gz VADMSMLYJMBNFT-UHFFFAOYSA-N 2 2 390.535 3.929 20 0 GHADLP CC(C)(C)c1ccc(-c2ccc(C[NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)o2)cc1 ZINC000439472668 853684327 /nfs/dbraw/zinc/68/43/27/853684327.db2.gz TYZPLWMSORZLFD-FQEVSTJZSA-N 2 2 383.536 3.674 20 0 GHADLP CC(C)(C)c1ccc(-c2ccc(C[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)o2)cc1 ZINC000439472668 853684332 /nfs/dbraw/zinc/68/43/32/853684332.db2.gz TYZPLWMSORZLFD-FQEVSTJZSA-N 2 2 383.536 3.674 20 0 GHADLP CCC[NH+](CCC)CCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426401070 853702459 /nfs/dbraw/zinc/70/24/59/853702459.db2.gz MWVSDIQFZXNQEC-YADHBBJMSA-N 2 2 397.567 3.923 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c(C)c1 ZINC000440857293 853707312 /nfs/dbraw/zinc/70/73/12/853707312.db2.gz SFTNODSDKCCVFV-RBBKRZOGSA-N 2 2 397.567 3.518 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c(C)c1 ZINC000440857293 853707318 /nfs/dbraw/zinc/70/73/18/853707318.db2.gz SFTNODSDKCCVFV-RBBKRZOGSA-N 2 2 397.567 3.518 20 0 GHADLP Cc1cc([C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)c2cccnc2)ccc1F ZINC000571559176 853948757 /nfs/dbraw/zinc/94/87/57/853948757.db2.gz JIQIYAMFXOKZKD-QHCPKHFHSA-N 2 2 394.494 3.744 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000520260618 853996168 /nfs/dbraw/zinc/99/61/68/853996168.db2.gz WWEQRFQTHPGKJG-FOIQADDNSA-N 2 2 378.438 3.775 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000520260618 853996177 /nfs/dbraw/zinc/99/61/77/853996177.db2.gz WWEQRFQTHPGKJG-FOIQADDNSA-N 2 2 378.438 3.775 20 0 GHADLP O=C(NC1CC1)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000571800073 854159864 /nfs/dbraw/zinc/15/98/64/854159864.db2.gz PVWJKPYAJUTKQD-HSZRJFAPSA-N 2 2 389.543 3.866 20 0 GHADLP O=C(NC1CC1)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000571800073 854159869 /nfs/dbraw/zinc/15/98/69/854159869.db2.gz PVWJKPYAJUTKQD-HSZRJFAPSA-N 2 2 389.543 3.866 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NC2CCC(C)CC2)c(C)c1 ZINC000441375924 854160461 /nfs/dbraw/zinc/16/04/61/854160461.db2.gz CFMXEXZNZASMOK-KTAIPUEZSA-N 2 2 382.552 3.914 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1 ZINC000441380098 854166343 /nfs/dbraw/zinc/16/63/43/854166343.db2.gz PGFWYVLHQGIRKL-APWZRJJASA-N 2 2 397.910 3.906 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NCc2ccccc2)c(C)c1 ZINC000441390985 854173401 /nfs/dbraw/zinc/17/34/01/854173401.db2.gz ZRSJBLIWHAENFZ-DENIHFKCSA-N 2 2 376.504 3.536 20 0 GHADLP CCN(C(=O)NCCCNc1cccc[nH+]1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473941078 854354130 /nfs/dbraw/zinc/35/41/30/854354130.db2.gz BJHRRGGHTPGCDP-CTNGQTDRSA-N 2 2 395.551 3.751 20 0 GHADLP CCN(C(=O)NCCCNc1cccc[nH+]1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473941078 854354138 /nfs/dbraw/zinc/35/41/38/854354138.db2.gz BJHRRGGHTPGCDP-CTNGQTDRSA-N 2 2 395.551 3.751 20 0 GHADLP Cc1nc(-c2ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc2)cs1 ZINC000588689778 854361113 /nfs/dbraw/zinc/36/11/13/854361113.db2.gz RGAQJSMHPTUBTC-OAQYLSRUSA-N 2 2 381.545 3.701 20 0 GHADLP Cc1nc(-c2ccc(C[NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)cs1 ZINC000588689778 854361117 /nfs/dbraw/zinc/36/11/17/854361117.db2.gz RGAQJSMHPTUBTC-OAQYLSRUSA-N 2 2 381.545 3.701 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3cccc(C[NH+]4CCC(C)CC4)c3)[nH+]c12 ZINC000588700252 854365549 /nfs/dbraw/zinc/36/55/49/854365549.db2.gz XQOWWBXRBFDGTB-UHFFFAOYSA-N 2 2 390.531 3.734 20 0 GHADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@H]3c3ccsc3)CC2)c1 ZINC000058581538 854591729 /nfs/dbraw/zinc/59/17/29/854591729.db2.gz OSLHMRJZZGCRGA-NRFANRHFSA-N 2 2 383.561 3.538 20 0 GHADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@H]3c3ccsc3)CC2)c1 ZINC000058581538 854591732 /nfs/dbraw/zinc/59/17/32/854591732.db2.gz OSLHMRJZZGCRGA-NRFANRHFSA-N 2 2 383.561 3.538 20 0 GHADLP CCn1c(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)nc2c1cccc2F ZINC000072694635 854729495 /nfs/dbraw/zinc/72/94/95/854729495.db2.gz YPYZMNIWNXTCEU-UHFFFAOYSA-N 2 2 376.520 3.518 20 0 GHADLP Cc1ccccc1C[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001128011911 854825058 /nfs/dbraw/zinc/82/50/58/854825058.db2.gz UVSMDOKTHRMCTF-NKKJXINNSA-N 2 2 399.623 3.969 20 0 GHADLP Cc1ccccc1C[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001128011911 854825063 /nfs/dbraw/zinc/82/50/63/854825063.db2.gz UVSMDOKTHRMCTF-NKKJXINNSA-N 2 2 399.623 3.969 20 0 GHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765792926 854827088 /nfs/dbraw/zinc/82/70/88/854827088.db2.gz USUJBBCVJWADOY-VHSSKADRSA-N 2 2 375.513 3.771 20 0 GHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000765792926 854827090 /nfs/dbraw/zinc/82/70/90/854827090.db2.gz USUJBBCVJWADOY-VHSSKADRSA-N 2 2 375.513 3.771 20 0 GHADLP C[C@@H](OC[C@H](O)C[NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000572714556 854947683 /nfs/dbraw/zinc/94/76/83/854947683.db2.gz PLTGOIMKDZJWCJ-OXQOHEQNSA-N 2 2 385.895 3.754 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000482017049 862633008 /nfs/dbraw/zinc/63/30/08/862633008.db2.gz PHKUMNNLGWPERT-RTBURBONSA-N 2 2 385.577 3.811 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000482017049 862633016 /nfs/dbraw/zinc/63/30/16/862633016.db2.gz PHKUMNNLGWPERT-RTBURBONSA-N 2 2 385.577 3.811 20 0 GHADLP COc1cccc([C@H]2[C@@H](NC(=O)c3sccc3C[NH+](C)C)CC[N@@H+]2C2CC2)c1 ZINC000482051485 862643523 /nfs/dbraw/zinc/64/35/23/862643523.db2.gz RJSYHOVGKZJKHI-PMACEKPBSA-N 2 2 399.560 3.526 20 0 GHADLP COc1cccc([C@H]2[C@@H](NC(=O)c3sccc3C[NH+](C)C)CC[N@H+]2C2CC2)c1 ZINC000482051485 862643529 /nfs/dbraw/zinc/64/35/29/862643529.db2.gz RJSYHOVGKZJKHI-PMACEKPBSA-N 2 2 399.560 3.526 20 0 GHADLP O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000282504711 862689742 /nfs/dbraw/zinc/68/97/42/862689742.db2.gz NXIPNEIFWKRPHV-FPOVZHCZSA-N 2 2 392.547 3.561 20 0 GHADLP O=C(c1ccccc1)N1CC[C@@H](C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000282504711 862689751 /nfs/dbraw/zinc/68/97/51/862689751.db2.gz NXIPNEIFWKRPHV-FPOVZHCZSA-N 2 2 392.547 3.561 20 0 GHADLP CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c2ccccc2)CC1 ZINC000590859553 855633192 /nfs/dbraw/zinc/63/31/92/855633192.db2.gz JYLQXOLBAJUEEP-VXKWHMMOSA-N 2 2 395.551 3.703 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc(NC(=O)OC(C)(C)C)c3)CC2)c1 ZINC000760831840 856025584 /nfs/dbraw/zinc/02/55/84/856025584.db2.gz ULYMKWIILBZLOE-UHFFFAOYSA-N 2 2 398.507 3.759 20 0 GHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000030584650 856115488 /nfs/dbraw/zinc/11/54/88/856115488.db2.gz WBJMUKDZMHITOR-UHFFFAOYSA-N 2 2 388.515 3.847 20 0 GHADLP c1ccc(C[N@H+]2C[C@H]3CN(c4nc(N5Cc6ccccc6C5)cc[nH+]4)C[C@H]3C2)cc1 ZINC000624171995 862783320 /nfs/dbraw/zinc/78/33/20/862783320.db2.gz FTLHKUPMWFTKLI-ZRZAMGCNSA-N 2 2 397.526 3.565 20 0 GHADLP c1ccc(C[N@@H+]2C[C@H]3CN(c4nc(N5Cc6ccccc6C5)cc[nH+]4)C[C@H]3C2)cc1 ZINC000624171995 862783322 /nfs/dbraw/zinc/78/33/22/862783322.db2.gz FTLHKUPMWFTKLI-ZRZAMGCNSA-N 2 2 397.526 3.565 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168573678 856366035 /nfs/dbraw/zinc/36/60/35/856366035.db2.gz SASINQWOOGFHFS-LSDHHAIUSA-N 2 2 390.450 3.535 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168573678 856366045 /nfs/dbraw/zinc/36/60/45/856366045.db2.gz SASINQWOOGFHFS-LSDHHAIUSA-N 2 2 390.450 3.535 20 0 GHADLP CC1CC[NH+](CCCNC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000043546559 856541873 /nfs/dbraw/zinc/54/18/73/856541873.db2.gz AKJUBDJKVFRTNN-QGZVFWFLSA-N 2 2 393.601 3.619 20 0 GHADLP CC1CC[NH+](CCCNC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000043546559 856541935 /nfs/dbraw/zinc/54/19/35/856541935.db2.gz AKJUBDJKVFRTNN-QGZVFWFLSA-N 2 2 393.601 3.619 20 0 GHADLP Cc1cc(C)c(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c(C)[nH+]1 ZINC000906107698 856834742 /nfs/dbraw/zinc/83/47/42/856834742.db2.gz PSSXWKSYZQKYRT-LJQANCHMSA-N 2 2 379.504 3.725 20 0 GHADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047295701 856992173 /nfs/dbraw/zinc/99/21/73/856992173.db2.gz UTUCPGIBVFCAPW-IBGZPJMESA-N 2 2 380.517 3.560 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000665255474 857107467 /nfs/dbraw/zinc/10/74/67/857107467.db2.gz UFKUQVCJGBHFPK-CZAAIQMYSA-N 2 2 384.520 3.899 20 0 GHADLP CN(C(=O)N[C@@H]1CCc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000158399840 857139321 /nfs/dbraw/zinc/13/93/21/857139321.db2.gz WVVUDTVGFLDGCG-ZLNRFVROSA-N 2 2 398.595 3.653 20 0 GHADLP CN(C(=O)N[C@@H]1CCc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000158399840 857139324 /nfs/dbraw/zinc/13/93/24/857139324.db2.gz WVVUDTVGFLDGCG-ZLNRFVROSA-N 2 2 398.595 3.653 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000665257656 857148658 /nfs/dbraw/zinc/14/86/58/857148658.db2.gz PHNYVMRROHVJJO-JJEOQYAHSA-N 3 2 385.527 3.562 20 0 GHADLP O=C(NCCCNc1cccc[nH+]1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061011562 857492069 /nfs/dbraw/zinc/49/20/69/857492069.db2.gz MCZRCMZDUUXFGL-UHFFFAOYSA-N 2 2 395.551 3.759 20 0 GHADLP FC(F)C(F)(F)COCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000469725296 857568198 /nfs/dbraw/zinc/56/81/98/857568198.db2.gz MIXSLINHDKYKEP-QZTJIDSGSA-N 2 2 388.449 3.890 20 0 GHADLP FC(F)C(F)(F)COCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000469725296 857568211 /nfs/dbraw/zinc/56/82/11/857568211.db2.gz MIXSLINHDKYKEP-QZTJIDSGSA-N 2 2 388.449 3.890 20 0 GHADLP FC(F)C(F)(F)COCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000469725296 857568220 /nfs/dbraw/zinc/56/82/20/857568220.db2.gz MIXSLINHDKYKEP-QZTJIDSGSA-N 2 2 388.449 3.890 20 0 GHADLP FC(F)C(F)(F)COCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000469725296 857568232 /nfs/dbraw/zinc/56/82/32/857568232.db2.gz MIXSLINHDKYKEP-QZTJIDSGSA-N 2 2 388.449 3.890 20 0 GHADLP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000672696903 857605277 /nfs/dbraw/zinc/60/52/77/857605277.db2.gz OMAWDVLCQBUOPK-IBGZPJMESA-N 2 2 397.485 3.614 20 0 GHADLP C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000672696903 857605284 /nfs/dbraw/zinc/60/52/84/857605284.db2.gz OMAWDVLCQBUOPK-IBGZPJMESA-N 2 2 397.485 3.614 20 0 GHADLP Cc1ccc(-c2n[nH]cc2CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)o1 ZINC000676202042 857782196 /nfs/dbraw/zinc/78/21/96/857782196.db2.gz XYLPPUIZGUPLHB-UHFFFAOYSA-N 2 2 380.496 3.516 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C2CC2)cc1 ZINC000676476787 857899100 /nfs/dbraw/zinc/89/91/00/857899100.db2.gz BFMLXTSMIAMKKN-JOCHJYFZSA-N 2 2 380.536 3.835 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C2CC2)cc1 ZINC000676476787 857899102 /nfs/dbraw/zinc/89/91/02/857899102.db2.gz BFMLXTSMIAMKKN-JOCHJYFZSA-N 2 2 380.536 3.835 20 0 GHADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000067361329 858024279 /nfs/dbraw/zinc/02/42/79/858024279.db2.gz WNMKZLGMGGJIFZ-QFIPXVFZSA-N 2 2 388.515 3.573 20 0 GHADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000067361329 858024287 /nfs/dbraw/zinc/02/42/87/858024287.db2.gz WNMKZLGMGGJIFZ-QFIPXVFZSA-N 2 2 388.515 3.573 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)NCCCCNc2cccc[nH+]2)[NH+]2CCCC2)cc1 ZINC000521522942 858091748 /nfs/dbraw/zinc/09/17/48/858091748.db2.gz KNPAKXLGLACJGH-OAQYLSRUSA-N 2 2 395.551 3.718 20 0 GHADLP COC(=O)c1c(C[N@@H+]2CC[C@](C)(C[NH3+])C2)nc2ccccc2c1-c1ccccc1 ZINC000574692097 858164014 /nfs/dbraw/zinc/16/40/14/858164014.db2.gz LSIFWQHAJGPKPL-XMMPIXPASA-N 2 2 389.499 3.859 20 0 GHADLP COC(=O)c1c(C[N@H+]2CC[C@](C)(C[NH3+])C2)nc2ccccc2c1-c1ccccc1 ZINC000574692097 858164020 /nfs/dbraw/zinc/16/40/20/858164020.db2.gz LSIFWQHAJGPKPL-XMMPIXPASA-N 2 2 389.499 3.859 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(Oc2ccccc2)cn1 ZINC000521607563 858168390 /nfs/dbraw/zinc/16/83/90/858168390.db2.gz YPXGNPGZRWAAQQ-QGZVFWFLSA-N 2 2 375.476 3.852 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(C)c1 ZINC000575064529 858509376 /nfs/dbraw/zinc/50/93/76/858509376.db2.gz DSOHQTHSUUZGHZ-VWPQPMDRSA-N 2 2 395.551 3.509 20 0 GHADLP C[NH+]1CCC(CNC(=O)N(CC2CCCCC2)C2CC2)([NH+]2CCCCC2)CC1 ZINC000466159630 858526270 /nfs/dbraw/zinc/52/62/70/858526270.db2.gz VFSZLHZDDYAVCO-UHFFFAOYSA-N 2 2 390.616 3.691 20 0 GHADLP C[N@H+](CCN1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1)Cc1ccccc1 ZINC000595571510 858555880 /nfs/dbraw/zinc/55/58/80/858555880.db2.gz VBYZVWPTFWQCIP-UHFFFAOYSA-N 2 2 390.531 3.591 20 0 GHADLP C[N@@H+](CCN1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1)Cc1ccccc1 ZINC000595571510 858555885 /nfs/dbraw/zinc/55/58/85/858555885.db2.gz VBYZVWPTFWQCIP-UHFFFAOYSA-N 2 2 390.531 3.591 20 0 GHADLP C[C@@H](OC[C@@H](O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000761117643 858555906 /nfs/dbraw/zinc/55/59/06/858555906.db2.gz KFGXFVIFAFQEJO-UZLBHIALSA-N 2 2 389.927 3.750 20 0 GHADLP CNC(=O)[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(F)cc1C ZINC000575123154 858572336 /nfs/dbraw/zinc/57/23/36/858572336.db2.gz ZBBJFMGATRXPGY-PXNSSMCTSA-N 2 2 394.494 3.575 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C1CCC(F)(F)CC1 ZINC000474053990 858720341 /nfs/dbraw/zinc/72/03/41/858720341.db2.gz FYBWHOHIHWEJSB-KRWDZBQOSA-N 2 2 382.495 3.701 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC2)c1 ZINC000474074993 858787355 /nfs/dbraw/zinc/78/73/55/858787355.db2.gz TVNFWBPSCLBCAF-GMKZXUHWSA-N 2 2 385.596 3.692 20 0 GHADLP Cc1c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cnn1-c1cc(C)ccc1C ZINC000482741771 858812432 /nfs/dbraw/zinc/81/24/32/858812432.db2.gz QAYGVADQCJHBJM-PZJWPPBQSA-N 2 2 384.568 3.541 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(Br)o3)C2)ccn1 ZINC000856551353 881370278 /nfs/dbraw/zinc/37/02/78/881370278.db2.gz PYGHWXFRAMSTQK-QGZVFWFLSA-N 2 2 394.313 3.542 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(Br)o3)C2)ccn1 ZINC000856551353 881370285 /nfs/dbraw/zinc/37/02/85/881370285.db2.gz PYGHWXFRAMSTQK-QGZVFWFLSA-N 2 2 394.313 3.542 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(Br)o3)C2)ccn1 ZINC000856551353 881370309 /nfs/dbraw/zinc/37/03/09/881370309.db2.gz PYGHWXFRAMSTQK-QGZVFWFLSA-N 2 2 394.313 3.542 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(Br)o3)C2)ccn1 ZINC000856551353 881370329 /nfs/dbraw/zinc/37/03/29/881370329.db2.gz PYGHWXFRAMSTQK-QGZVFWFLSA-N 2 2 394.313 3.542 20 0 GHADLP CCc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000189016055 881395258 /nfs/dbraw/zinc/39/52/58/881395258.db2.gz OHBJTCVSCQVVKS-GOTSBHOMSA-N 2 2 385.596 3.587 20 0 GHADLP CCc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000189016055 881395290 /nfs/dbraw/zinc/39/52/90/881395290.db2.gz OHBJTCVSCQVVKS-GOTSBHOMSA-N 2 2 385.596 3.587 20 0 GHADLP CN(C(=O)c1ccc(Oc2ccccc2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478624 859291202 /nfs/dbraw/zinc/29/12/02/859291202.db2.gz QPAHSRKJGMYNSH-NRFANRHFSA-N 2 2 393.531 3.719 20 0 GHADLP CN(C(=O)c1ccc(Oc2ccccc2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478624 859291215 /nfs/dbraw/zinc/29/12/15/859291215.db2.gz QPAHSRKJGMYNSH-NRFANRHFSA-N 2 2 393.531 3.719 20 0 GHADLP CN(C(=O)c1cccc(Oc2ccccc2)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478545 859291770 /nfs/dbraw/zinc/29/17/70/859291770.db2.gz ZSPFVBAOIXLIHP-NRFANRHFSA-N 2 2 393.531 3.719 20 0 GHADLP CN(C(=O)c1cccc(Oc2ccccc2)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478545 859291781 /nfs/dbraw/zinc/29/17/81/859291781.db2.gz ZSPFVBAOIXLIHP-NRFANRHFSA-N 2 2 393.531 3.719 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](c3ccccc3)C(C)(C)C)CC2)CC1 ZINC000051760643 859313545 /nfs/dbraw/zinc/31/35/45/859313545.db2.gz UZOPWJIHGZDBLV-OAQYLSRUSA-N 2 2 386.584 3.632 20 0 GHADLP CC(C)(C)[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc(F)cc1 ZINC000474161601 859403975 /nfs/dbraw/zinc/40/39/75/859403975.db2.gz WOTVYHNZQDWVSO-UHFFFAOYSA-N 2 2 398.526 3.560 20 0 GHADLP CC(C)(C)[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc(F)cc1 ZINC000474161601 859403980 /nfs/dbraw/zinc/40/39/80/859403980.db2.gz WOTVYHNZQDWVSO-UHFFFAOYSA-N 2 2 398.526 3.560 20 0 GHADLP CC[N@H+](Cc1nc(-c2ccc(OC)cc2)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061438 859434815 /nfs/dbraw/zinc/43/48/15/859434815.db2.gz KOJAHQPWOUEGRQ-UHFFFAOYSA-N 2 2 380.492 3.829 20 0 GHADLP CC[N@@H+](Cc1nc(-c2ccc(OC)cc2)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061438 859434819 /nfs/dbraw/zinc/43/48/19/859434819.db2.gz KOJAHQPWOUEGRQ-UHFFFAOYSA-N 2 2 380.492 3.829 20 0 GHADLP C[C@H](NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000764462455 859457842 /nfs/dbraw/zinc/45/78/42/859457842.db2.gz JVPJFUDMKORERE-BVSLBCMMSA-N 2 2 399.604 3.764 20 0 GHADLP C[C@H](NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000764462455 859457845 /nfs/dbraw/zinc/45/78/45/859457845.db2.gz JVPJFUDMKORERE-BVSLBCMMSA-N 2 2 399.604 3.764 20 0 GHADLP C[C@@H]1CCN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000251861247 859566461 /nfs/dbraw/zinc/56/64/61/859566461.db2.gz SERRKRRXNQEVHM-KJXAQDMKSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@@H]1CCN(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000251861247 859566470 /nfs/dbraw/zinc/56/64/70/859566470.db2.gz SERRKRRXNQEVHM-KJXAQDMKSA-N 2 2 395.551 3.530 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000611409323 859744236 /nfs/dbraw/zinc/74/42/36/859744236.db2.gz JSFGLXLUJUVXDW-DEOSSOPVSA-N 2 2 396.531 3.792 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3ncc4cc(OCc5ccccc5)ccc43)CC[C@@H]21 ZINC000765107422 859793534 /nfs/dbraw/zinc/79/35/34/859793534.db2.gz SUZJVQFDAWBNAV-OFNKIYASSA-N 2 2 390.531 3.989 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ncc4cc(OCc5ccccc5)ccc43)CC[C@@H]21 ZINC000765107422 859793550 /nfs/dbraw/zinc/79/35/50/859793550.db2.gz SUZJVQFDAWBNAV-OFNKIYASSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ncc4cc(OCc5ccccc5)ccc43)CC[C@@H]21 ZINC000765107422 859793569 /nfs/dbraw/zinc/79/35/69/859793569.db2.gz SUZJVQFDAWBNAV-OFNKIYASSA-N 2 2 390.531 3.989 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ncc4cc(OCc5ccccc5)ccc43)CC[C@@H]21 ZINC000765107422 859793584 /nfs/dbraw/zinc/79/35/84/859793584.db2.gz SUZJVQFDAWBNAV-OFNKIYASSA-N 2 2 390.531 3.989 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000484130914 859840254 /nfs/dbraw/zinc/84/02/54/859840254.db2.gz QEDAMMNRDGIZGM-OXQOHEQNSA-N 2 2 378.438 3.993 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000484130914 859840264 /nfs/dbraw/zinc/84/02/64/859840264.db2.gz QEDAMMNRDGIZGM-OXQOHEQNSA-N 2 2 378.438 3.993 20 0 GHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CCCO2 ZINC000484174837 859847421 /nfs/dbraw/zinc/84/74/21/859847421.db2.gz SLQLSPPIZGCDLG-UPVQGACJSA-N 2 2 380.532 3.744 20 0 GHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CCCO2 ZINC000484174837 859847427 /nfs/dbraw/zinc/84/74/27/859847427.db2.gz SLQLSPPIZGCDLG-UPVQGACJSA-N 2 2 380.532 3.744 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765252058 859866112 /nfs/dbraw/zinc/86/61/12/859866112.db2.gz PWCVAYNDIYVSHC-QFBILLFUSA-N 2 2 390.959 3.978 20 0 GHADLP c1cn(-c2cccc(-c3noc(-c4cnc(CC5CC[NH2+]CC5)s4)n3)c2)c[nH+]1 ZINC000904093199 860140714 /nfs/dbraw/zinc/14/07/14/860140714.db2.gz NYSWJMXVCLDPOD-UHFFFAOYSA-N 2 2 392.488 3.588 20 0 GHADLP CN(C(=O)c1cccc2c1CCCC2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001127905664 860231477 /nfs/dbraw/zinc/23/14/77/860231477.db2.gz HLLNKYQVDQYMNF-BJKOFHAPSA-N 2 2 397.607 3.975 20 0 GHADLP CN(C(=O)c1cccc2c1CCCC2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001127905664 860231485 /nfs/dbraw/zinc/23/14/85/860231485.db2.gz HLLNKYQVDQYMNF-BJKOFHAPSA-N 2 2 397.607 3.975 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(C(C)(C)C[NH3+])CC3)n2)C1 ZINC000904280826 860310149 /nfs/dbraw/zinc/31/01/49/860310149.db2.gz BAISFWNGKHCTJQ-OAHLLOKOSA-N 2 2 393.601 3.604 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(C(C)(C)C[NH3+])CC3)n2)C1 ZINC000904280826 860310160 /nfs/dbraw/zinc/31/01/60/860310160.db2.gz BAISFWNGKHCTJQ-OAHLLOKOSA-N 2 2 393.601 3.604 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(-n2cccn2)c1 ZINC000508976784 860367879 /nfs/dbraw/zinc/36/78/79/860367879.db2.gz KBZBXUAJXAFVEQ-NRFANRHFSA-N 2 2 389.547 3.735 20 0 GHADLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cnn(-c2ccccc2)c1 ZINC000765682683 860403911 /nfs/dbraw/zinc/40/39/11/860403911.db2.gz KEPYQUOMOGSJFV-HYBUGGRVSA-N 2 2 389.547 3.512 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@H]3CC[C@@H](C(F)(F)F)O3)CC2)cc1 ZINC000922677489 860464593 /nfs/dbraw/zinc/46/45/93/860464593.db2.gz PABAZIIPQYPFQY-MOPGFXCFSA-N 2 2 385.474 3.811 20 0 GHADLP [NH3+]C12C[C@@H]3C[C@H](C1)CC(c1nc(-c4cccc(Cn5cc[nH+]c5)c4)no1)(C3)C2 ZINC000904559132 860513318 /nfs/dbraw/zinc/51/33/18/860513318.db2.gz VXJIFBYPJSQVCX-RGMRCXJASA-N 2 2 375.476 3.531 20 0 GHADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000474626176 860533134 /nfs/dbraw/zinc/53/31/34/860533134.db2.gz CWPATKBVMXBRQK-RBUKOAKNSA-N 2 2 398.547 3.818 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2nc3cc(Br)ccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000509023828 860582262 /nfs/dbraw/zinc/58/22/62/860582262.db2.gz YRPOBQHBEDUMHY-IUODEOHRSA-N 2 2 375.270 3.870 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2nc3cc(Br)ccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000509023828 860582265 /nfs/dbraw/zinc/58/22/65/860582265.db2.gz YRPOBQHBEDUMHY-IUODEOHRSA-N 2 2 375.270 3.870 20 0 GHADLP Cc1[nH]c(C2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)CC2)[nH+]c1C ZINC000899511351 860952648 /nfs/dbraw/zinc/95/26/48/860952648.db2.gz CKAMTSCXUMUJFF-HXUWFJFHSA-N 2 2 384.499 3.536 20 0 GHADLP Cc1[nH]c(C2CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)CC2)[nH+]c1C ZINC000899511351 860952654 /nfs/dbraw/zinc/95/26/54/860952654.db2.gz CKAMTSCXUMUJFF-HXUWFJFHSA-N 2 2 384.499 3.536 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cc1OCCCO ZINC000623529470 861162314 /nfs/dbraw/zinc/16/23/14/861162314.db2.gz JULLFKZPQMQRQN-GOEBONIOSA-N 2 2 399.373 3.734 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cc1OCCCO ZINC000623529470 861162321 /nfs/dbraw/zinc/16/23/21/861162321.db2.gz JULLFKZPQMQRQN-GOEBONIOSA-N 2 2 399.373 3.734 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc3c(n2)CCCC3)CC1 ZINC000444013084 863149752 /nfs/dbraw/zinc/14/97/52/863149752.db2.gz UPMDDNNQKZWZTB-UHFFFAOYSA-N 2 2 384.955 3.655 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000522741182 863175226 /nfs/dbraw/zinc/17/52/26/863175226.db2.gz CGICTZQIMXJOKA-UHFFFAOYSA-N 2 2 392.503 3.523 20 0 GHADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000626089349 863290558 /nfs/dbraw/zinc/29/05/58/863290558.db2.gz MXJVWBXGQVQCCD-UHFFFAOYSA-N 3 2 385.596 3.749 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C(=O)N1c1ccccc1 ZINC000499228360 881656660 /nfs/dbraw/zinc/65/66/60/881656660.db2.gz LLYRXRWSYYROBC-GRAZHTGVSA-N 2 2 389.543 3.966 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C(=O)N1c1ccccc1 ZINC000499228360 881656667 /nfs/dbraw/zinc/65/66/67/881656667.db2.gz LLYRXRWSYYROBC-GRAZHTGVSA-N 2 2 389.543 3.966 20 0 GHADLP CC(C)c1ccc([C@H](C)CC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000606370604 863565684 /nfs/dbraw/zinc/56/56/84/863565684.db2.gz NJYNQTVRSJJEBA-XXBNENTESA-N 2 2 385.596 3.931 20 0 GHADLP CC(C)c1ccc([C@H](C)CC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000606370604 863565693 /nfs/dbraw/zinc/56/56/93/863565693.db2.gz NJYNQTVRSJJEBA-XXBNENTESA-N 2 2 385.596 3.931 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)ccc2[nH+]1 ZINC000606570191 863713396 /nfs/dbraw/zinc/71/33/96/863713396.db2.gz ABOYKTQJUZBJJG-MRXNPFEDSA-N 2 2 383.521 3.738 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)ccc2[nH+]1 ZINC000606570191 863713401 /nfs/dbraw/zinc/71/34/01/863713401.db2.gz ABOYKTQJUZBJJG-MRXNPFEDSA-N 2 2 383.521 3.738 20 0 GHADLP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000606580863 863730192 /nfs/dbraw/zinc/73/01/92/863730192.db2.gz HNRQIFPOOWVMRQ-YLJYHZDGSA-N 2 2 377.492 3.851 20 0 GHADLP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC000606580863 863730202 /nfs/dbraw/zinc/73/02/02/863730202.db2.gz HNRQIFPOOWVMRQ-YLJYHZDGSA-N 2 2 377.492 3.851 20 0 GHADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000158531757 863864967 /nfs/dbraw/zinc/86/49/67/863864967.db2.gz OQFDZYMDADLHMX-CQSZACIVSA-N 2 2 379.335 3.991 20 0 GHADLP Cc1cc(Br)cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1OC(F)F ZINC000494432920 881715565 /nfs/dbraw/zinc/71/55/65/881715565.db2.gz CITCKNGWAIGPHO-ZDUSSCGKSA-N 2 2 386.240 3.660 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(Cl)nn3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168056896 864356082 /nfs/dbraw/zinc/35/60/82/864356082.db2.gz JOJYKXPNTJVBPI-OPVJXMOQSA-N 2 2 399.970 3.694 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(Cl)nn3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056896 864356091 /nfs/dbraw/zinc/35/60/91/864356091.db2.gz JOJYKXPNTJVBPI-OPVJXMOQSA-N 2 2 399.970 3.694 20 0 GHADLP CC(=O)N1CC[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c2ccccc21 ZINC000621757543 864404278 /nfs/dbraw/zinc/40/42/78/864404278.db2.gz IWSNQWAGRTVMQN-OAQYLSRUSA-N 2 2 393.535 3.522 20 0 GHADLP COc1ccc(N2CC[NH+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)CC2)nc1 ZINC001168058286 864459462 /nfs/dbraw/zinc/45/94/62/864459462.db2.gz PYBKPIJARURLGP-WOJBJXKFSA-N 2 2 394.563 3.654 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000734850264 864481075 /nfs/dbraw/zinc/48/10/75/864481075.db2.gz WUEQZLURPSWASY-IFXJQAMLSA-N 2 2 392.316 3.983 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000734850264 864481078 /nfs/dbraw/zinc/48/10/78/864481078.db2.gz WUEQZLURPSWASY-IFXJQAMLSA-N 2 2 392.316 3.983 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000429537318 881773153 /nfs/dbraw/zinc/77/31/53/881773153.db2.gz MASYOQBYQQLYNO-RTBURBONSA-N 2 2 397.485 3.613 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000429537318 881773162 /nfs/dbraw/zinc/77/31/62/881773162.db2.gz MASYOQBYQQLYNO-RTBURBONSA-N 2 2 397.485 3.613 20 0 GHADLP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c2ccccc2C1 ZINC000494491298 881788733 /nfs/dbraw/zinc/78/87/33/881788733.db2.gz ZTIUINFHJPNOLH-UUOWRZLLSA-N 2 2 392.547 3.690 20 0 GHADLP C[NH+](C)CCC1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)CC1 ZINC000607735066 864664117 /nfs/dbraw/zinc/66/41/17/864664117.db2.gz YIWPHGAEWKWEIY-UHFFFAOYSA-N 2 2 382.430 3.518 20 0 GHADLP Cc1c2cccc(F)c2oc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000607876306 864785123 /nfs/dbraw/zinc/78/51/23/864785123.db2.gz CKNZNOGIVOIGBD-UHFFFAOYSA-N 2 2 387.499 3.560 20 0 GHADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000167860858 864801377 /nfs/dbraw/zinc/80/13/77/864801377.db2.gz QVAQBTUOXDQFNC-SJORKVTESA-N 2 2 389.565 3.838 20 0 GHADLP COc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(SC)cc1OC ZINC000475334905 864806510 /nfs/dbraw/zinc/80/65/10/864806510.db2.gz FPTHJUSOHVFHRL-BGYRXZFFSA-N 2 2 398.572 3.990 20 0 GHADLP COc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(SC)cc1OC ZINC000475334905 864806527 /nfs/dbraw/zinc/80/65/27/864806527.db2.gz FPTHJUSOHVFHRL-BGYRXZFFSA-N 2 2 398.572 3.990 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(SC)cc1OC ZINC000475334905 864806546 /nfs/dbraw/zinc/80/65/46/864806546.db2.gz FPTHJUSOHVFHRL-BGYRXZFFSA-N 2 2 398.572 3.990 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(SC)cc1OC ZINC000475334905 864806555 /nfs/dbraw/zinc/80/65/55/864806555.db2.gz FPTHJUSOHVFHRL-BGYRXZFFSA-N 2 2 398.572 3.990 20 0 GHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3cc(-n4ccnc4)cs3)C2)CC1 ZINC000475336975 864810978 /nfs/dbraw/zinc/81/09/78/864810978.db2.gz PDILTJYEJSAWRC-UHFFFAOYSA-N 2 2 384.471 3.829 20 0 GHADLP Cc1c([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)nnn1-c1ccccc1 ZINC000480539176 864818193 /nfs/dbraw/zinc/81/81/93/864818193.db2.gz UQBYHOCNLCANOW-GOSISDBHSA-N 2 2 386.503 3.714 20 0 GHADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CO)o2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000608057041 864979922 /nfs/dbraw/zinc/97/99/22/864979922.db2.gz WXDNALOZXBEMIO-KXBFYZLASA-N 2 2 382.426 3.963 20 0 GHADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CO)o2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000608057041 864979926 /nfs/dbraw/zinc/97/99/26/864979926.db2.gz WXDNALOZXBEMIO-KXBFYZLASA-N 2 2 382.426 3.963 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000667734910 865143204 /nfs/dbraw/zinc/14/32/04/865143204.db2.gz BRPSXPZMEQOVSO-RBUKOAKNSA-N 2 2 390.890 3.895 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000667734910 865143208 /nfs/dbraw/zinc/14/32/08/865143208.db2.gz BRPSXPZMEQOVSO-RBUKOAKNSA-N 2 2 390.890 3.895 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608407881 865290038 /nfs/dbraw/zinc/29/00/38/865290038.db2.gz FSVVOBCEDOWACD-CTNGQTDRSA-N 2 2 397.567 3.658 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608407881 865290046 /nfs/dbraw/zinc/29/00/46/865290046.db2.gz FSVVOBCEDOWACD-CTNGQTDRSA-N 2 2 397.567 3.658 20 0 GHADLP Cn1cc[nH+]c1C[C@H](NC(=O)NCCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000608393748 865308298 /nfs/dbraw/zinc/30/82/98/865308298.db2.gz HAFJLROTQMDUSQ-NRFANRHFSA-N 2 2 397.567 3.658 20 0 GHADLP Cn1cc[nH+]c1C[C@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000608393748 865308315 /nfs/dbraw/zinc/30/83/15/865308315.db2.gz HAFJLROTQMDUSQ-NRFANRHFSA-N 2 2 397.567 3.658 20 0 GHADLP CC(C)[N@H+](C)CC1CC[NH+](Cn2ncc3c2cccc3Br)CC1 ZINC000738088411 865484644 /nfs/dbraw/zinc/48/46/44/865484644.db2.gz CUHCLRNAWPUQJJ-UHFFFAOYSA-N 2 2 379.346 3.809 20 0 GHADLP CC(C)[N@@H+](C)CC1CC[NH+](Cn2ncc3c2cccc3Br)CC1 ZINC000738088411 865484646 /nfs/dbraw/zinc/48/46/46/865484646.db2.gz CUHCLRNAWPUQJJ-UHFFFAOYSA-N 2 2 379.346 3.809 20 0 GHADLP FC(F)(F)c1ccc2c(NC[C@]3([NH+]4CCOCC4)CCSC3)cc[nH+]c2c1 ZINC000301801632 865542609 /nfs/dbraw/zinc/54/26/09/865542609.db2.gz SQOSGADJAUPZAE-GOSISDBHSA-N 2 2 397.466 3.873 20 0 GHADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1cc(N2CCCCC2)nc[nH+]1 ZINC000301974357 865642846 /nfs/dbraw/zinc/64/28/46/865642846.db2.gz KOXWIVBRFSIVSI-UHFFFAOYSA-N 2 2 380.540 3.605 20 0 GHADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1cc(N2CCCCC2)[nH+]cn1 ZINC000301974357 865642848 /nfs/dbraw/zinc/64/28/48/865642848.db2.gz KOXWIVBRFSIVSI-UHFFFAOYSA-N 2 2 380.540 3.605 20 0 GHADLP CCCCC[C@@H]1CCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000494559187 881911095 /nfs/dbraw/zinc/91/10/95/881911095.db2.gz TWSISRLOVTWHHG-HXUWFJFHSA-N 2 2 378.605 3.691 20 0 GHADLP CC[N@@H+](Cc1cncc(Br)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395201 865902077 /nfs/dbraw/zinc/90/20/77/865902077.db2.gz QJLXHUYFDCDVAZ-UHFFFAOYSA-N 2 2 389.341 3.978 20 0 GHADLP CC[N@H+](Cc1cncc(Br)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395201 865902090 /nfs/dbraw/zinc/90/20/90/865902090.db2.gz QJLXHUYFDCDVAZ-UHFFFAOYSA-N 2 2 389.341 3.978 20 0 GHADLP CCOC1CC(CNc2cc[nH+]c3ccc(Cl)cc23)([NH+]2CCOCC2)C1 ZINC000302819143 865938706 /nfs/dbraw/zinc/93/87/06/865938706.db2.gz JFWWOBPYDDMSOZ-UHFFFAOYSA-N 2 2 375.900 3.570 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000302881442 865971151 /nfs/dbraw/zinc/97/11/51/865971151.db2.gz HYQVLOSCDGVMMO-KRWDZBQOSA-N 2 2 383.565 3.667 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000302881442 865971161 /nfs/dbraw/zinc/97/11/61/865971161.db2.gz HYQVLOSCDGVMMO-KRWDZBQOSA-N 2 2 383.565 3.667 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H]3CN(c4cc(N5CCCC5)[nH+]cn4)CC[C@@H]32)cc1 ZINC000302921144 865991226 /nfs/dbraw/zinc/99/12/26/865991226.db2.gz ZXQHWGSAABHBQR-SFTDATJTSA-N 2 2 377.536 3.568 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H]3CN(c4cc(N5CCCC5)[nH+]cn4)CC[C@@H]32)cc1 ZINC000302921144 865991235 /nfs/dbraw/zinc/99/12/35/865991235.db2.gz ZXQHWGSAABHBQR-SFTDATJTSA-N 2 2 377.536 3.568 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCc2sccc2C1 ZINC000481209493 866013020 /nfs/dbraw/zinc/01/30/20/866013020.db2.gz ZCGSDQSEWWOBCD-LQWHRVPQSA-N 2 2 397.588 3.522 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCc2sccc2C1 ZINC000481209493 866013038 /nfs/dbraw/zinc/01/30/38/866013038.db2.gz ZCGSDQSEWWOBCD-LQWHRVPQSA-N 2 2 397.588 3.522 20 0 GHADLP CC(C)[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C(C)(C)C)cc1 ZINC000671296453 866014194 /nfs/dbraw/zinc/01/41/94/866014194.db2.gz CXZMSHOYZNMNJB-DHIUTWEWSA-N 2 2 387.612 3.677 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000163145865 866361411 /nfs/dbraw/zinc/36/14/11/866361411.db2.gz UVYGOPAEQCTYGF-KSSFIOAISA-N 2 2 394.350 3.696 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000163145865 866361420 /nfs/dbraw/zinc/36/14/20/866361420.db2.gz UVYGOPAEQCTYGF-KSSFIOAISA-N 2 2 394.350 3.696 20 0 GHADLP C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1cscn1 ZINC000534328394 866572287 /nfs/dbraw/zinc/57/22/87/866572287.db2.gz BKULWVUCMRZDQU-ZDUSSCGKSA-N 2 2 384.471 3.765 20 0 GHADLP C[C@@H]1CCCC[C@@H]1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360937 866647320 /nfs/dbraw/zinc/64/73/20/866647320.db2.gz RQBRATWLFCPMEO-UGESXGAOSA-N 2 2 377.617 3.998 20 0 GHADLP C[C@@H]1CCCC[C@@H]1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360937 866647325 /nfs/dbraw/zinc/64/73/25/866647325.db2.gz RQBRATWLFCPMEO-UGESXGAOSA-N 2 2 377.617 3.998 20 0 GHADLP C[C@@H]1CCCC[C@@H]1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360936 866647644 /nfs/dbraw/zinc/64/76/44/866647644.db2.gz RQBRATWLFCPMEO-KRXUUXHPSA-N 2 2 377.617 3.998 20 0 GHADLP C[C@@H]1CCCC[C@@H]1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360936 866647649 /nfs/dbraw/zinc/64/76/49/866647649.db2.gz RQBRATWLFCPMEO-KRXUUXHPSA-N 2 2 377.617 3.998 20 0 GHADLP C[NH+](C)CC[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C(C)(C)C ZINC000152548477 866647985 /nfs/dbraw/zinc/64/79/85/866647985.db2.gz XEMZGJSDSFXBCZ-PCCBWWKXSA-N 2 2 397.567 3.777 20 0 GHADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000553092518 866761216 /nfs/dbraw/zinc/76/12/16/866761216.db2.gz HIAWDQYLNKNEID-ICSRJNTNSA-N 2 2 382.552 3.949 20 0 GHADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000553092518 866761221 /nfs/dbraw/zinc/76/12/21/866761221.db2.gz HIAWDQYLNKNEID-ICSRJNTNSA-N 2 2 382.552 3.949 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C(C)C ZINC000153606154 866980124 /nfs/dbraw/zinc/98/01/24/866980124.db2.gz BTQDQTHMIAOXMQ-VXKWHMMOSA-N 2 2 397.567 3.920 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153674771 867019526 /nfs/dbraw/zinc/01/95/26/867019526.db2.gz VFBRRSMVEJZXKV-APWZRJJASA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000153674771 867019543 /nfs/dbraw/zinc/01/95/43/867019543.db2.gz VFBRRSMVEJZXKV-APWZRJJASA-N 2 2 377.960 3.684 20 0 GHADLP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000523354495 867120533 /nfs/dbraw/zinc/12/05/33/867120533.db2.gz ZQHNJIGZKAJVGJ-UHFFFAOYSA-N 2 2 392.528 3.982 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000444789161 867250505 /nfs/dbraw/zinc/25/05/05/867250505.db2.gz CHGAMASNIADVJP-FQEVSTJZSA-N 2 2 377.960 3.856 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000444789161 867250515 /nfs/dbraw/zinc/25/05/15/867250515.db2.gz CHGAMASNIADVJP-FQEVSTJZSA-N 2 2 377.960 3.856 20 0 GHADLP CCC[C@H]([NH2+]C1CC[NH+](CCC)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000154349877 867365419 /nfs/dbraw/zinc/36/54/19/867365419.db2.gz ZVUJJZIODDFMEF-QFIPXVFZSA-N 2 2 386.584 3.858 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479320910 867562881 /nfs/dbraw/zinc/56/28/81/867562881.db2.gz TWHXEGNJYVTQQR-GOSISDBHSA-N 2 2 385.321 3.740 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1C(F)(F)F ZINC000920425601 882103106 /nfs/dbraw/zinc/10/31/06/882103106.db2.gz NOIOQMXZZRKFRA-GOSISDBHSA-N 2 2 379.357 3.853 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Br)cn1 ZINC000479364786 867671106 /nfs/dbraw/zinc/67/11/06/867671106.db2.gz WPJZHPCLQBAIEV-OAHLLOKOSA-N 2 2 390.325 3.527 20 0 GHADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+]Cc3cnc4cnccn34)cc2)c[nH+]1 ZINC000156764481 868458863 /nfs/dbraw/zinc/45/88/63/868458863.db2.gz DZSOJCAVRQGKCH-UHFFFAOYSA-N 2 2 394.482 3.931 20 0 GHADLP C[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000156783042 868462522 /nfs/dbraw/zinc/46/25/22/868462522.db2.gz SOINGYVWMHJERZ-KRWDZBQOSA-N 2 2 393.522 3.525 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1)c1ccccc1 ZINC000508532627 868559607 /nfs/dbraw/zinc/55/96/07/868559607.db2.gz FKDZBNLCGDSHMO-CVDCTZTESA-N 2 2 395.547 3.593 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1)c1ccccc1 ZINC000508532627 868559611 /nfs/dbraw/zinc/55/96/11/868559611.db2.gz FKDZBNLCGDSHMO-CVDCTZTESA-N 2 2 395.547 3.593 20 0 GHADLP Brc1cc(Br)cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000394567175 882255443 /nfs/dbraw/zinc/25/54/43/882255443.db2.gz LTGNSBWDYNFVAX-LSDHHAIUSA-N 2 2 388.147 3.928 20 0 GHADLP Brc1cc(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000394567175 882255454 /nfs/dbraw/zinc/25/54/54/882255454.db2.gz LTGNSBWDYNFVAX-LSDHHAIUSA-N 2 2 388.147 3.928 20 0 GHADLP CC(C)c1cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)nc(C(C)C)[nH+]1 ZINC000535594944 869041070 /nfs/dbraw/zinc/04/10/70/869041070.db2.gz LPZAESKNYYGSTQ-UHFFFAOYSA-N 2 2 382.552 3.714 20 0 GHADLP COc1ccc2c(c1)C[C@@H](Nc1ccc(N3CCC([NH+](C)C)CC3)c[nH+]1)CC2 ZINC000539689176 869610636 /nfs/dbraw/zinc/61/06/36/869610636.db2.gz LWPSWOAGJIWDKU-IBGZPJMESA-N 2 2 380.536 3.590 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(Br)o1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000190958458 882320237 /nfs/dbraw/zinc/32/02/37/882320237.db2.gz GWRAWEIUTZMDJO-CYBMUJFWSA-N 2 2 396.304 3.784 20 0 GHADLP C[NH+]1CCN([C@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)c2cccs2)CC1 ZINC000539950851 870063863 /nfs/dbraw/zinc/06/38/63/870063863.db2.gz MKRPKPCKFFTGGR-GOSISDBHSA-N 2 2 398.601 3.950 20 0 GHADLP CC[N@H+](CCC1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1)CC1CC1 ZINC000540014998 870201456 /nfs/dbraw/zinc/20/14/56/870201456.db2.gz DNTBTXPOGQLVEJ-UHFFFAOYSA-N 2 2 394.563 3.906 20 0 GHADLP CC[N@@H+](CCC1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1)CC1CC1 ZINC000540014998 870201463 /nfs/dbraw/zinc/20/14/63/870201463.db2.gz DNTBTXPOGQLVEJ-UHFFFAOYSA-N 2 2 394.563 3.906 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N(Cc3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248175461 870310107 /nfs/dbraw/zinc/31/01/07/870310107.db2.gz VMUBVDYJFHWROC-JTHBVZDNSA-N 2 2 377.532 3.636 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N(Cc3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248175461 870310126 /nfs/dbraw/zinc/31/01/26/870310126.db2.gz VMUBVDYJFHWROC-JTHBVZDNSA-N 2 2 377.532 3.636 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N(Cc3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248175461 870310145 /nfs/dbraw/zinc/31/01/45/870310145.db2.gz VMUBVDYJFHWROC-JTHBVZDNSA-N 2 2 377.532 3.636 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N(Cc3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248175461 870310157 /nfs/dbraw/zinc/31/01/57/870310157.db2.gz VMUBVDYJFHWROC-JTHBVZDNSA-N 2 2 377.532 3.636 20 0 GHADLP Fc1ccc2c(c1)CC[C@H]([NH+]1CCC3(CC1)C[N@H+](Cc1ccoc1)CCO3)C2 ZINC001168433121 870362630 /nfs/dbraw/zinc/36/26/30/870362630.db2.gz VLAFURQCWYKPLV-QFIPXVFZSA-N 2 2 384.495 3.643 20 0 GHADLP Fc1ccc2c(c1)CC[C@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccoc1)CCO3)C2 ZINC001168433121 870362649 /nfs/dbraw/zinc/36/26/49/870362649.db2.gz VLAFURQCWYKPLV-QFIPXVFZSA-N 2 2 384.495 3.643 20 0 GHADLP c1nnc(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1-c1ccccc1 ZINC000248396444 870365935 /nfs/dbraw/zinc/36/59/35/870365935.db2.gz GZLCHSWCKXWDNT-PMVMPFDFSA-N 2 2 387.531 3.658 20 0 GHADLP c1nnc(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1-c1ccccc1 ZINC000248396444 870365959 /nfs/dbraw/zinc/36/59/59/870365959.db2.gz GZLCHSWCKXWDNT-PMVMPFDFSA-N 2 2 387.531 3.658 20 0 GHADLP COC(=O)c1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n(C)c1C ZINC000462942644 870473071 /nfs/dbraw/zinc/47/30/71/870473071.db2.gz GCAHYJONIDHASN-XLIONFOSSA-N 2 2 383.536 3.605 20 0 GHADLP COC(=O)c1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n(C)c1C ZINC000462942644 870473077 /nfs/dbraw/zinc/47/30/77/870473077.db2.gz GCAHYJONIDHASN-XLIONFOSSA-N 2 2 383.536 3.605 20 0 GHADLP COC(=O)c1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n(C)c1C ZINC000462942644 870473080 /nfs/dbraw/zinc/47/30/80/870473080.db2.gz GCAHYJONIDHASN-XLIONFOSSA-N 2 2 383.536 3.605 20 0 GHADLP COC(=O)c1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n(C)c1C ZINC000462942644 870473086 /nfs/dbraw/zinc/47/30/86/870473086.db2.gz GCAHYJONIDHASN-XLIONFOSSA-N 2 2 383.536 3.605 20 0 GHADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cc1S(C)(=O)=O ZINC000446892211 870656526 /nfs/dbraw/zinc/65/65/26/870656526.db2.gz IYGRRQIRMYVHMI-JXFKEZNVSA-N 2 2 378.582 3.531 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@](CO)(Cc4ccccc4)C3)sc2C1 ZINC000463037848 870716893 /nfs/dbraw/zinc/71/68/93/870716893.db2.gz OODZVIGFKORTIG-HSZRJFAPSA-N 2 2 399.604 3.727 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@](CO)(Cc4ccccc4)C3)sc2C1 ZINC000463037848 870716912 /nfs/dbraw/zinc/71/69/12/870716912.db2.gz OODZVIGFKORTIG-HSZRJFAPSA-N 2 2 399.604 3.727 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@](CO)(Cc4ccccc4)C3)sc2C1 ZINC000463037848 870716931 /nfs/dbraw/zinc/71/69/31/870716931.db2.gz OODZVIGFKORTIG-HSZRJFAPSA-N 2 2 399.604 3.727 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@](CO)(Cc4ccccc4)C3)sc2C1 ZINC000463037848 870716933 /nfs/dbraw/zinc/71/69/33/870716933.db2.gz OODZVIGFKORTIG-HSZRJFAPSA-N 2 2 399.604 3.727 20 0 GHADLP COCOc1ccc(OC)cc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000766459748 870782810 /nfs/dbraw/zinc/78/28/10/870782810.db2.gz AVGBLULVCRYZTO-UHFFFAOYSA-N 2 2 376.541 3.812 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000446975511 870795975 /nfs/dbraw/zinc/79/59/75/870795975.db2.gz BPXDBDMOKAKQPL-KDOFPFPSSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000446975511 870795984 /nfs/dbraw/zinc/79/59/84/870795984.db2.gz BPXDBDMOKAKQPL-KDOFPFPSSA-N 2 2 394.357 3.773 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(CN3CC[NH+]([C@@H](C)c4ccsc4)CC3)sc2C1 ZINC000463054975 870798132 /nfs/dbraw/zinc/79/81/32/870798132.db2.gz PRPKVYWOEZRJAN-INIZCTEOSA-N 2 2 390.622 3.850 20 0 GHADLP CC(C)[N@H+]1CCc2nc(CN3CC[NH+]([C@@H](C)c4ccsc4)CC3)sc2C1 ZINC000463054975 870798146 /nfs/dbraw/zinc/79/81/46/870798146.db2.gz PRPKVYWOEZRJAN-INIZCTEOSA-N 2 2 390.622 3.850 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000446975211 870835055 /nfs/dbraw/zinc/83/50/55/870835055.db2.gz PZXULLKYMLJLBZ-KDOFPFPSSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000446975211 870835069 /nfs/dbraw/zinc/83/50/69/870835069.db2.gz PZXULLKYMLJLBZ-KDOFPFPSSA-N 2 2 394.357 3.773 20 0 GHADLP COc1cccc2[nH]cc(CC[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)c21 ZINC000181335739 870873475 /nfs/dbraw/zinc/87/34/75/870873475.db2.gz RLLHGVKXZNTPCM-PXNSSMCTSA-N 2 2 378.520 3.614 20 0 GHADLP COc1cccc2[nH]cc(CC[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)c21 ZINC000181335739 870873486 /nfs/dbraw/zinc/87/34/86/870873486.db2.gz RLLHGVKXZNTPCM-PXNSSMCTSA-N 2 2 378.520 3.614 20 0 GHADLP C[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001168825891 870879996 /nfs/dbraw/zinc/87/99/96/870879996.db2.gz UDAZIUVIHXAOLP-TYPHKJRUSA-N 2 2 387.568 3.681 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168852859 870906371 /nfs/dbraw/zinc/90/63/71/870906371.db2.gz YDIIILOGYXYDFY-IEBWSBKVSA-N 2 2 377.573 3.725 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168852859 870906379 /nfs/dbraw/zinc/90/63/79/870906379.db2.gz YDIIILOGYXYDFY-IEBWSBKVSA-N 2 2 377.573 3.725 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000540300421 870946454 /nfs/dbraw/zinc/94/64/54/870946454.db2.gz BYDMCJXZSVOQIQ-LJQANCHMSA-N 2 2 375.513 3.710 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000540319882 870972408 /nfs/dbraw/zinc/97/24/08/870972408.db2.gz WLFHNBQLDLQESU-JOCHJYFZSA-N 2 2 396.922 3.764 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000540319882 870972413 /nfs/dbraw/zinc/97/24/13/870972413.db2.gz WLFHNBQLDLQESU-JOCHJYFZSA-N 2 2 396.922 3.764 20 0 GHADLP FC1(F)Oc2cccc(CC[NH+]3CCC(CCCn4cc[nH+]c4)CC3)c2O1 ZINC001193335044 871027796 /nfs/dbraw/zinc/02/77/96/871027796.db2.gz GGZWPKOXPMDLLZ-UHFFFAOYSA-N 2 2 377.435 3.940 20 0 GHADLP c1ccc(OC[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCO2)cc1 ZINC001193365130 871055625 /nfs/dbraw/zinc/05/56/25/871055625.db2.gz QAEWZXZSWJGVHN-DEOSSOPVSA-N 2 2 380.532 3.952 20 0 GHADLP c1ccc(OC[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCO2)cc1 ZINC001193365130 871055647 /nfs/dbraw/zinc/05/56/47/871055647.db2.gz QAEWZXZSWJGVHN-DEOSSOPVSA-N 2 2 380.532 3.952 20 0 GHADLP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001169069276 871151996 /nfs/dbraw/zinc/15/19/96/871151996.db2.gz CDOFATPPHDHVKW-NRFANRHFSA-N 2 2 377.536 3.643 20 0 GHADLP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001169069276 871151999 /nfs/dbraw/zinc/15/19/99/871151999.db2.gz CDOFATPPHDHVKW-NRFANRHFSA-N 2 2 377.536 3.643 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000463213680 871157367 /nfs/dbraw/zinc/15/73/67/871157367.db2.gz YLDCYVCPVONTDI-DFXJHMEVSA-N 2 2 399.623 3.850 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000463213680 871157374 /nfs/dbraw/zinc/15/73/74/871157374.db2.gz YLDCYVCPVONTDI-DFXJHMEVSA-N 2 2 399.623 3.850 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539085473 871232081 /nfs/dbraw/zinc/23/20/81/871232081.db2.gz OHDBLDGJIXFCTE-ZECSIRQKSA-N 2 2 386.499 3.680 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3scnc3C3CC3)CC2)cc1 ZINC000449526266 871384459 /nfs/dbraw/zinc/38/44/59/871384459.db2.gz VGYRTEMTRDPOQW-UHFFFAOYSA-N 2 2 384.549 3.733 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181725986 871432145 /nfs/dbraw/zinc/43/21/45/871432145.db2.gz WVMGPXFTBMWADJ-NRFANRHFSA-N 2 2 398.551 3.512 20 0 GHADLP CN(C(=O)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000539261252 871618969 /nfs/dbraw/zinc/61/89/69/871618969.db2.gz NARUFEVSWMIYJF-DEOSSOPVSA-N 2 2 391.559 3.725 20 0 GHADLP CCOC(=O)N1CCC[C@H]([NH2+]CC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001169638084 871701644 /nfs/dbraw/zinc/70/16/44/871701644.db2.gz DKWVRVVZTDVOBY-QFIPXVFZSA-N 2 2 387.568 3.542 20 0 GHADLP CN(C(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)C(c1ccccc1)c1ccccc1 ZINC000429543055 882539502 /nfs/dbraw/zinc/53/95/02/882539502.db2.gz ZZUJHHJLIJIZQH-QFIPXVFZSA-N 2 2 379.548 3.651 20 0 GHADLP CN(C(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1)C(c1ccccc1)c1ccccc1 ZINC000429543055 882539510 /nfs/dbraw/zinc/53/95/10/882539510.db2.gz ZZUJHHJLIJIZQH-QFIPXVFZSA-N 2 2 379.548 3.651 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000462204352 871804438 /nfs/dbraw/zinc/80/44/38/871804438.db2.gz UYCWHGUPTRPACF-JRGCBEDISA-N 2 2 398.576 3.582 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000462204352 871804450 /nfs/dbraw/zinc/80/44/50/871804450.db2.gz UYCWHGUPTRPACF-JRGCBEDISA-N 2 2 398.576 3.582 20 0 GHADLP CC(C)(COCc1ccccc1)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001169715141 871804837 /nfs/dbraw/zinc/80/48/37/871804837.db2.gz HYKGIIGPCVOSHS-UHFFFAOYSA-N 2 2 381.564 3.784 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000312141525 871824642 /nfs/dbraw/zinc/82/46/42/871824642.db2.gz XBHBMLSZBSNUHA-IPMKNSEASA-N 2 2 376.545 3.821 20 0 GHADLP c1cc(-c2ccc3c(C4C[NH+]([C@H]5CCCC6(C5)OCCO6)C4)[nH+]cn3c2)co1 ZINC001169949685 872049396 /nfs/dbraw/zinc/04/93/96/872049396.db2.gz ONUSFPDUHFJWFC-IBGZPJMESA-N 2 2 379.460 3.679 20 0 GHADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001170443418 882591244 /nfs/dbraw/zinc/59/12/44/882591244.db2.gz OQUHESDMXDUTQH-FSSWDIPSSA-N 2 2 393.531 3.585 20 0 GHADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001170443418 882591257 /nfs/dbraw/zinc/59/12/57/882591257.db2.gz OQUHESDMXDUTQH-FSSWDIPSSA-N 2 2 393.531 3.585 20 0 GHADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001170443418 882591262 /nfs/dbraw/zinc/59/12/62/882591262.db2.gz OQUHESDMXDUTQH-FSSWDIPSSA-N 2 2 393.531 3.585 20 0 GHADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001170443418 882591267 /nfs/dbraw/zinc/59/12/67/882591267.db2.gz OQUHESDMXDUTQH-FSSWDIPSSA-N 2 2 393.531 3.585 20 0 GHADLP CC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564710 872272263 /nfs/dbraw/zinc/27/22/63/872272263.db2.gz MQMRXZLMPYYFHE-UHFFFAOYSA-N 2 2 399.535 3.846 20 0 GHADLP CC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564710 872272276 /nfs/dbraw/zinc/27/22/76/872272276.db2.gz MQMRXZLMPYYFHE-UHFFFAOYSA-N 2 2 399.535 3.846 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000478053543 872387195 /nfs/dbraw/zinc/38/71/95/872387195.db2.gz MUWLNSYDKGOSAJ-MRXNPFEDSA-N 2 2 390.597 3.547 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000478053543 872387211 /nfs/dbraw/zinc/38/72/11/872387211.db2.gz MUWLNSYDKGOSAJ-MRXNPFEDSA-N 2 2 390.597 3.547 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccnn1-c1ccccc1 ZINC000448339790 873223882 /nfs/dbraw/zinc/22/38/82/873223882.db2.gz RJFRKEHCLOGPTQ-UHFFFAOYSA-N 3 2 395.595 3.500 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccnn1-c1ccccc1 ZINC000448339790 873223893 /nfs/dbraw/zinc/22/38/93/873223893.db2.gz RJFRKEHCLOGPTQ-UHFFFAOYSA-N 3 2 395.595 3.500 20 0 GHADLP C[N@H+](C[C@@H]1CCC[C@H](c2ccccc2)O1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001196574987 873233391 /nfs/dbraw/zinc/23/33/91/873233391.db2.gz RFAFBANMNGHYSU-GVAUOCQISA-N 2 2 394.559 3.866 20 0 GHADLP C[N@@H+](C[C@@H]1CCC[C@H](c2ccccc2)O1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001196574987 873233401 /nfs/dbraw/zinc/23/34/01/873233401.db2.gz RFAFBANMNGHYSU-GVAUOCQISA-N 2 2 394.559 3.866 20 0 GHADLP C[NH+](C[C@@H]1CCC[C@H](c2ccccc2)O1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001196574987 873233415 /nfs/dbraw/zinc/23/34/15/873233415.db2.gz RFAFBANMNGHYSU-GVAUOCQISA-N 2 2 394.559 3.866 20 0 GHADLP C[NH+](C[C@@H]1CCC[C@H](c2ccccc2)O1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001196574987 873233425 /nfs/dbraw/zinc/23/34/25/873233425.db2.gz RFAFBANMNGHYSU-GVAUOCQISA-N 2 2 394.559 3.866 20 0 GHADLP C[NH+](C)Cc1cc(C[NH2+]Cc2ncc(Cl)cc2Br)ccc1F ZINC000527662456 873415004 /nfs/dbraw/zinc/41/50/04/873415004.db2.gz QSRSHICEMIECSR-UHFFFAOYSA-N 2 2 386.696 3.988 20 0 GHADLP CCC(CC)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCCC1 ZINC000921244011 882767243 /nfs/dbraw/zinc/76/72/43/882767243.db2.gz OIHWPHWJOHMLIX-OAQYLSRUSA-N 2 2 383.540 3.572 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NC2CCC(C(F)(F)F)CC2)cc1 ZINC001198030117 874188209 /nfs/dbraw/zinc/18/82/09/874188209.db2.gz HTZLJPNTURZTAV-UHFFFAOYSA-N 2 2 399.501 3.921 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NC2CCC(C(F)(F)F)CC2)cc1 ZINC001198030117 874188218 /nfs/dbraw/zinc/18/82/18/874188218.db2.gz HTZLJPNTURZTAV-UHFFFAOYSA-N 2 2 399.501 3.921 20 0 GHADLP COc1cc2ccccc2cc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000449063522 874401757 /nfs/dbraw/zinc/40/17/57/874401757.db2.gz PYLVYSBPDKBIBH-UHFFFAOYSA-N 2 2 376.500 3.970 20 0 GHADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(=O)N2CCCc3ccccc32)CC1 ZINC000449097511 874467757 /nfs/dbraw/zinc/46/77/57/874467757.db2.gz DVOBNXBNYZNSNX-FQEVSTJZSA-N 2 2 391.559 3.651 20 0 GHADLP CC(C)[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Cl)cc1F ZINC000541913744 874514506 /nfs/dbraw/zinc/51/45/06/874514506.db2.gz WNWFTYNXYOFKIW-OALUTQOASA-N 2 2 383.939 3.709 20 0 GHADLP CC(C)[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Cl)cc1F ZINC000541913744 874514519 /nfs/dbraw/zinc/51/45/19/874514519.db2.gz WNWFTYNXYOFKIW-OALUTQOASA-N 2 2 383.939 3.709 20 0 GHADLP CCc1cccc(NC(=O)C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000464803809 874515499 /nfs/dbraw/zinc/51/54/99/874515499.db2.gz ATHXWINPEGMRSD-UHFFFAOYSA-N 2 2 380.536 3.821 20 0 GHADLP CCc1cccc(NC(=O)C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000464803809 874515502 /nfs/dbraw/zinc/51/55/02/874515502.db2.gz ATHXWINPEGMRSD-UHFFFAOYSA-N 2 2 380.536 3.821 20 0 GHADLP CCn1nnc(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000449159296 874538384 /nfs/dbraw/zinc/53/83/84/874538384.db2.gz ZBRZBQHALGRJEK-APWZRJJASA-N 2 2 395.473 3.798 20 0 GHADLP CCn1nnc(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000449159296 874538388 /nfs/dbraw/zinc/53/83/88/874538388.db2.gz ZBRZBQHALGRJEK-APWZRJJASA-N 2 2 395.473 3.798 20 0 GHADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464836242 874570413 /nfs/dbraw/zinc/57/04/13/874570413.db2.gz JQQOYOUJKSAJLL-GHTZIAJQSA-N 2 2 399.966 3.799 20 0 GHADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464836242 874570420 /nfs/dbraw/zinc/57/04/20/874570420.db2.gz JQQOYOUJKSAJLL-GHTZIAJQSA-N 2 2 399.966 3.799 20 0 GHADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464836242 874570428 /nfs/dbraw/zinc/57/04/28/874570428.db2.gz JQQOYOUJKSAJLL-GHTZIAJQSA-N 2 2 399.966 3.799 20 0 GHADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464836242 874570434 /nfs/dbraw/zinc/57/04/34/874570434.db2.gz JQQOYOUJKSAJLL-GHTZIAJQSA-N 2 2 399.966 3.799 20 0 GHADLP CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000464842086 874611369 /nfs/dbraw/zinc/61/13/69/874611369.db2.gz FBZLOSDAJPHMDA-IFMALSPDSA-N 2 2 379.548 3.882 20 0 GHADLP CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000464842086 874611377 /nfs/dbraw/zinc/61/13/77/874611377.db2.gz FBZLOSDAJPHMDA-IFMALSPDSA-N 2 2 379.548 3.882 20 0 GHADLP CCN(C(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000464842086 874611386 /nfs/dbraw/zinc/61/13/86/874611386.db2.gz FBZLOSDAJPHMDA-IFMALSPDSA-N 2 2 379.548 3.882 20 0 GHADLP CCN(C(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000464842086 874611394 /nfs/dbraw/zinc/61/13/94/874611394.db2.gz FBZLOSDAJPHMDA-IFMALSPDSA-N 2 2 379.548 3.882 20 0 GHADLP COC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198791264 874619963 /nfs/dbraw/zinc/61/99/63/874619963.db2.gz UODIESANJYZKOW-QGZVFWFLSA-N 2 2 385.508 3.683 20 0 GHADLP COC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198791264 874619965 /nfs/dbraw/zinc/61/99/65/874619965.db2.gz UODIESANJYZKOW-QGZVFWFLSA-N 2 2 385.508 3.683 20 0 GHADLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1ccnn1C1CCCC1)CC2 ZINC000449265344 874681299 /nfs/dbraw/zinc/68/12/99/874681299.db2.gz PPOBQHJSRBXGRQ-IBGZPJMESA-N 2 2 385.581 3.941 20 0 GHADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1ccnn1C1CCCC1)CC2 ZINC000449265344 874681305 /nfs/dbraw/zinc/68/13/05/874681305.db2.gz PPOBQHJSRBXGRQ-IBGZPJMESA-N 2 2 385.581 3.941 20 0 GHADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000303013803 874811633 /nfs/dbraw/zinc/81/16/33/874811633.db2.gz KVGNFUKAYNYMAW-IRLDBZIGSA-N 2 2 375.601 3.826 20 0 GHADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000303013803 874811641 /nfs/dbraw/zinc/81/16/41/874811641.db2.gz KVGNFUKAYNYMAW-IRLDBZIGSA-N 2 2 375.601 3.826 20 0 GHADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2nc(C(C)(C)C)cs2)CC1 ZINC001199336391 874909527 /nfs/dbraw/zinc/90/95/27/874909527.db2.gz NNXBGVNOGRXQTB-UHFFFAOYSA-N 2 2 386.609 3.868 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@H](C[N@H+](C)Cc3ccccc3)C(C)C)ccc2[nH+]1 ZINC001199768221 875173034 /nfs/dbraw/zinc/17/30/34/875173034.db2.gz UJTFFOANJSWXFR-HXUWFJFHSA-N 2 2 379.508 3.921 20 0 GHADLP Cc1cn2cc(NC(=O)N[C@H](C[N@@H+](C)Cc3ccccc3)C(C)C)ccc2[nH+]1 ZINC001199768221 875173035 /nfs/dbraw/zinc/17/30/35/875173035.db2.gz UJTFFOANJSWXFR-HXUWFJFHSA-N 2 2 379.508 3.921 20 0 GHADLP COCO[C@@H](C)c1cc(F)c(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1Br ZINC000858166798 882904273 /nfs/dbraw/zinc/90/42/73/882904273.db2.gz ARGKRPFWEUXNEA-OLZOCXBDSA-N 2 2 391.325 3.557 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000528906878 875248460 /nfs/dbraw/zinc/24/84/60/875248460.db2.gz MKMAPHABBFOWIW-BHDDXSALSA-N 2 2 394.563 3.530 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000528906878 875248464 /nfs/dbraw/zinc/24/84/64/875248464.db2.gz MKMAPHABBFOWIW-BHDDXSALSA-N 2 2 394.563 3.530 20 0 GHADLP Clc1cccc([C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)c1 ZINC000105486124 875311344 /nfs/dbraw/zinc/31/13/44/875311344.db2.gz HQFJBGYJKGVPNP-QFIPXVFZSA-N 2 2 396.922 3.689 20 0 GHADLP COc1cccc([C@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)OC)c1 ZINC000858204166 882938725 /nfs/dbraw/zinc/93/87/25/882938725.db2.gz IHRKXUZZFBKHHD-QHCPKHFHSA-N 2 2 383.536 3.707 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](C/C(Br)=C/c1ccccc1)CC2 ZINC001201452457 875713902 /nfs/dbraw/zinc/71/39/02/875713902.db2.gz LUXCPXGFLYDEFA-VBKFSLOCSA-N 2 2 378.314 3.552 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]2c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000449966733 875716481 /nfs/dbraw/zinc/71/64/81/875716481.db2.gz RJBNODNKMUQNKM-YADHBBJMSA-N 2 2 383.580 3.637 20 0 GHADLP Cc1ccc(C(C)(C)CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460492001 882973804 /nfs/dbraw/zinc/97/38/04/882973804.db2.gz OWAJYSRAVNIYFY-UHFFFAOYSA-N 2 2 385.596 3.729 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2ccc(Cl)cc2Cl)([NH+]2CCCCC2)CC1 ZINC000172753367 875899965 /nfs/dbraw/zinc/89/99/65/875899965.db2.gz IEBCLMCKFFOZMF-UHFFFAOYSA-N 2 2 384.351 3.674 20 0 GHADLP COc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc12 ZINC000529261253 875910055 /nfs/dbraw/zinc/91/00/55/875910055.db2.gz MLRGFMUFZGQPSD-UHFFFAOYSA-N 2 2 396.535 3.529 20 0 GHADLP S=c1[nH]nc(CCC2CCCC2)n1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000151825332 875980442 /nfs/dbraw/zinc/98/04/42/875980442.db2.gz OPTIIXJTRCLQEA-UHFFFAOYSA-N 2 2 377.602 3.829 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001202179634 876045824 /nfs/dbraw/zinc/04/58/24/876045824.db2.gz HQPLFONTOFAPHN-QGZVFWFLSA-N 2 2 381.524 3.844 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3CCCC[NH+]3C3CCCC3)sc2C1 ZINC000450548720 876595764 /nfs/dbraw/zinc/59/57/64/876595764.db2.gz TUVTXYARUDHPQE-QGZVFWFLSA-N 2 2 376.570 3.645 20 0 GHADLP CC(C)[N@H+]1CCc2nc(NC(=O)[C@H]3CCCC[NH+]3C3CCCC3)sc2C1 ZINC000450548720 876595774 /nfs/dbraw/zinc/59/57/74/876595774.db2.gz TUVTXYARUDHPQE-QGZVFWFLSA-N 2 2 376.570 3.645 20 0 GHADLP CC(C)[NH+]1CCc2nc(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)sc2C1 ZINC000450548720 876595782 /nfs/dbraw/zinc/59/57/82/876595782.db2.gz TUVTXYARUDHPQE-QGZVFWFLSA-N 2 2 376.570 3.645 20 0 GHADLP CC(C)[NH+]1CCc2nc(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)sc2C1 ZINC000450548720 876595791 /nfs/dbraw/zinc/59/57/91/876595791.db2.gz TUVTXYARUDHPQE-QGZVFWFLSA-N 2 2 376.570 3.645 20 0 GHADLP CC[N@@H+](CC(=O)Nc1ccc(SC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971968 876752644 /nfs/dbraw/zinc/75/26/44/876752644.db2.gz JLPHEQDDWMTMPH-UHFFFAOYSA-N 2 2 398.576 3.981 20 0 GHADLP CC[N@H+](CC(=O)Nc1ccc(SC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971968 876752650 /nfs/dbraw/zinc/75/26/50/876752650.db2.gz JLPHEQDDWMTMPH-UHFFFAOYSA-N 2 2 398.576 3.981 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CCN3Cc3ccccc3)CC2)cc1 ZINC000850416670 876897619 /nfs/dbraw/zinc/89/76/19/876897619.db2.gz NWKNOFSNABDITA-DEOSSOPVSA-N 2 2 378.564 3.586 20 0 GHADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000786836869 876954566 /nfs/dbraw/zinc/95/45/66/876954566.db2.gz PMTNPLMXLLZJCS-UTKZUKDTSA-N 2 2 389.503 3.584 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1cccc2ccccc21 ZINC000850516944 876988603 /nfs/dbraw/zinc/98/86/03/876988603.db2.gz PLGLDBNTTQYBEO-PUZWTLIVSA-N 2 2 375.516 3.768 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1cccc2ccccc21 ZINC000850516944 876988612 /nfs/dbraw/zinc/98/86/12/876988612.db2.gz PLGLDBNTTQYBEO-PUZWTLIVSA-N 2 2 375.516 3.768 20 0 GHADLP Oc1cccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000315369026 877244924 /nfs/dbraw/zinc/24/49/24/877244924.db2.gz BRHYUZRAOXWRJQ-INIZCTEOSA-N 2 2 375.310 3.766 20 0 GHADLP Oc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1Br ZINC000315369026 877244936 /nfs/dbraw/zinc/24/49/36/877244936.db2.gz BRHYUZRAOXWRJQ-INIZCTEOSA-N 2 2 375.310 3.766 20 0 GHADLP FC(F)(F)c1nc(Cl)ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000787255276 877270771 /nfs/dbraw/zinc/27/07/71/877270771.db2.gz RERQFBZLXROBJT-UHFFFAOYSA-N 2 2 391.865 3.831 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cccc(C(F)(F)F)n2)CC1 ZINC000451190362 877550839 /nfs/dbraw/zinc/55/08/39/877550839.db2.gz QBLHNUCODHMMRO-UHFFFAOYSA-N 2 2 398.860 3.795 20 0 GHADLP Cc1c([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cnn1C(C)(C)C ZINC000530328787 877561600 /nfs/dbraw/zinc/56/16/00/877561600.db2.gz QNZHWBRNZMZVPM-XMSQKQJNSA-N 2 2 383.584 3.586 20 0 GHADLP c1ccc(COC[C@H]2CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699425 877664495 /nfs/dbraw/zinc/66/44/95/877664495.db2.gz ANUQBJRSRWYFJE-LOSJGSFVSA-N 2 2 394.559 3.816 20 0 GHADLP c1ccc(COC[C@H]2CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699425 877664510 /nfs/dbraw/zinc/66/45/10/877664510.db2.gz ANUQBJRSRWYFJE-LOSJGSFVSA-N 2 2 394.559 3.816 20 0 GHADLP c1ccc(COC[C@H]2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699425 877664517 /nfs/dbraw/zinc/66/45/17/877664517.db2.gz ANUQBJRSRWYFJE-LOSJGSFVSA-N 2 2 394.559 3.816 20 0 GHADLP c1ccc(COC[C@H]2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699425 877664526 /nfs/dbraw/zinc/66/45/26/877664526.db2.gz ANUQBJRSRWYFJE-LOSJGSFVSA-N 2 2 394.559 3.816 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(Br)c1 ZINC000551805266 877824381 /nfs/dbraw/zinc/82/43/81/877824381.db2.gz DYMBAAWKQHSGMX-OAHLLOKOSA-N 2 2 397.357 3.693 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c(Br)c1 ZINC000551805266 877824389 /nfs/dbraw/zinc/82/43/89/877824389.db2.gz DYMBAAWKQHSGMX-OAHLLOKOSA-N 2 2 397.357 3.693 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000245419069 877844812 /nfs/dbraw/zinc/84/48/12/877844812.db2.gz GVAPORCHGLTVHM-KBXCAEBGSA-N 2 2 386.367 3.614 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000245419069 877844822 /nfs/dbraw/zinc/84/48/22/877844822.db2.gz GVAPORCHGLTVHM-KBXCAEBGSA-N 2 2 386.367 3.614 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000245419069 877844835 /nfs/dbraw/zinc/84/48/35/877844835.db2.gz GVAPORCHGLTVHM-KBXCAEBGSA-N 2 2 386.367 3.614 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000245419069 877844848 /nfs/dbraw/zinc/84/48/48/877844848.db2.gz GVAPORCHGLTVHM-KBXCAEBGSA-N 2 2 386.367 3.614 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1)C2 ZINC000551895009 877976160 /nfs/dbraw/zinc/97/61/60/877976160.db2.gz WZWOWWKTZPHWNJ-WOIUINJBSA-N 2 2 394.563 3.837 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1)C2 ZINC000551895009 877976171 /nfs/dbraw/zinc/97/61/71/877976171.db2.gz WZWOWWKTZPHWNJ-WOIUINJBSA-N 2 2 394.563 3.837 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1)CC2 ZINC000551895009 877976177 /nfs/dbraw/zinc/97/61/77/877976177.db2.gz WZWOWWKTZPHWNJ-WOIUINJBSA-N 2 2 394.563 3.837 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1)CC2 ZINC000551895009 877976185 /nfs/dbraw/zinc/97/61/85/877976185.db2.gz WZWOWWKTZPHWNJ-WOIUINJBSA-N 2 2 394.563 3.837 20 0 GHADLP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H]3C[NH+](Cc4ccccc4)CCO3)c2C1 ZINC000175941278 878004057 /nfs/dbraw/zinc/00/40/57/878004057.db2.gz BBYRLPRQCNNGML-NRFANRHFSA-N 2 2 393.531 3.642 20 0 GHADLP CCC[N@H+]1Cc2cccc(NC(=O)C[C@H]3C[NH+](Cc4ccccc4)CCO3)c2C1 ZINC000175941278 878004068 /nfs/dbraw/zinc/00/40/68/878004068.db2.gz BBYRLPRQCNNGML-NRFANRHFSA-N 2 2 393.531 3.642 20 0 GHADLP CCC[NH+]1Cc2cccc(NC(=O)C[C@H]3C[N@H+](Cc4ccccc4)CCO3)c2C1 ZINC000175941278 878004089 /nfs/dbraw/zinc/00/40/89/878004089.db2.gz BBYRLPRQCNNGML-NRFANRHFSA-N 2 2 393.531 3.642 20 0 GHADLP CCC[NH+]1Cc2cccc(NC(=O)C[C@H]3C[N@@H+](Cc4ccccc4)CCO3)c2C1 ZINC000175941278 878004103 /nfs/dbraw/zinc/00/41/03/878004103.db2.gz BBYRLPRQCNNGML-NRFANRHFSA-N 2 2 393.531 3.642 20 0 GHADLP CN(C(=O)c1cccc2ncccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245692997 878402300 /nfs/dbraw/zinc/40/23/00/878402300.db2.gz JWOGSARHRVCUEY-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cccc2ncccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245692997 878402307 /nfs/dbraw/zinc/40/23/07/878402307.db2.gz JWOGSARHRVCUEY-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000451735738 878434930 /nfs/dbraw/zinc/43/49/30/878434930.db2.gz MQYWXGHGUDRDFR-FQEVSTJZSA-N 2 2 377.960 3.856 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000451735738 878434940 /nfs/dbraw/zinc/43/49/40/878434940.db2.gz MQYWXGHGUDRDFR-FQEVSTJZSA-N 2 2 377.960 3.856 20 0 GHADLP O=C(CCc1ccccc1)N1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000177283540 878631997 /nfs/dbraw/zinc/63/19/97/878631997.db2.gz FGGCDNASJZDKLF-UHFFFAOYSA-N 2 2 388.515 3.539 20 0 GHADLP O=C(CCc1ccccc1)N1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000177283540 878632000 /nfs/dbraw/zinc/63/20/00/878632000.db2.gz FGGCDNASJZDKLF-UHFFFAOYSA-N 2 2 388.515 3.539 20 0 GHADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177492081 878729093 /nfs/dbraw/zinc/72/90/93/878729093.db2.gz VXYFSLVFWONRPU-GOSISDBHSA-N 2 2 389.584 3.617 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CCCC1)c1ccccc1 ZINC000246015853 878857827 /nfs/dbraw/zinc/85/78/27/878857827.db2.gz IYSCNJRAKBJSMH-DFQSSKMNSA-N 2 2 378.582 3.595 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1nc2ccccc2n1C ZINC000246115664 879007179 /nfs/dbraw/zinc/00/71/79/879007179.db2.gz QDQTWKWKPKYVGP-QZTJIDSGSA-N 2 2 378.520 3.645 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1nc2ccccc2n1C ZINC000246115664 879007191 /nfs/dbraw/zinc/00/71/91/879007191.db2.gz QDQTWKWKPKYVGP-QZTJIDSGSA-N 2 2 378.520 3.645 20 0 GHADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000246140693 879044879 /nfs/dbraw/zinc/04/48/79/879044879.db2.gz KOHARPIBIQXSKM-MOPGFXCFSA-N 2 2 389.609 3.609 20 0 GHADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000246140693 879044896 /nfs/dbraw/zinc/04/48/96/879044896.db2.gz KOHARPIBIQXSKM-MOPGFXCFSA-N 2 2 389.609 3.609 20 0 GHADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000246140704 879045046 /nfs/dbraw/zinc/04/50/46/879045046.db2.gz KOHARPIBIQXSKM-OALUTQOASA-N 2 2 389.609 3.609 20 0 GHADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000246140704 879045055 /nfs/dbraw/zinc/04/50/55/879045055.db2.gz KOHARPIBIQXSKM-OALUTQOASA-N 2 2 389.609 3.609 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c(C)o1 ZINC000531103989 879135740 /nfs/dbraw/zinc/13/57/40/879135740.db2.gz VBHKMULPWMUGDZ-QHCPKHFHSA-N 2 2 382.504 3.863 20 0 GHADLP COC(=O)c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c(C)o1 ZINC000531103989 879135749 /nfs/dbraw/zinc/13/57/49/879135749.db2.gz VBHKMULPWMUGDZ-QHCPKHFHSA-N 2 2 382.504 3.863 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(C)o1 ZINC000531103989 879135755 /nfs/dbraw/zinc/13/57/55/879135755.db2.gz VBHKMULPWMUGDZ-QHCPKHFHSA-N 2 2 382.504 3.863 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(C)o1 ZINC000531103989 879135762 /nfs/dbraw/zinc/13/57/62/879135762.db2.gz VBHKMULPWMUGDZ-QHCPKHFHSA-N 2 2 382.504 3.863 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(OC(C)(C)C)cc1 ZINC000285826961 912460284 /nfs/dbraw/zinc/46/02/84/912460284.db2.gz XMCHSRKSXLZRQM-OHSMVPPVSA-N 2 2 387.568 3.598 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(OC(C)(C)C)cc1 ZINC000285826961 912460293 /nfs/dbraw/zinc/46/02/93/912460293.db2.gz XMCHSRKSXLZRQM-OHSMVPPVSA-N 2 2 387.568 3.598 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246487750 879611155 /nfs/dbraw/zinc/61/11/55/879611155.db2.gz GYYHSRTXWQWIQQ-DBVUQKKJSA-N 2 2 387.593 3.533 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246487750 879611158 /nfs/dbraw/zinc/61/11/58/879611158.db2.gz GYYHSRTXWQWIQQ-DBVUQKKJSA-N 2 2 387.593 3.533 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246487750 879611165 /nfs/dbraw/zinc/61/11/65/879611165.db2.gz GYYHSRTXWQWIQQ-DBVUQKKJSA-N 2 2 387.593 3.533 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246487750 879611170 /nfs/dbraw/zinc/61/11/70/879611170.db2.gz GYYHSRTXWQWIQQ-DBVUQKKJSA-N 2 2 387.593 3.533 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246577291 879697270 /nfs/dbraw/zinc/69/72/70/879697270.db2.gz LUCIAMUMMZSSMJ-TWWGPRNNSA-N 2 2 381.564 3.692 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246577291 879697281 /nfs/dbraw/zinc/69/72/81/879697281.db2.gz LUCIAMUMMZSSMJ-TWWGPRNNSA-N 2 2 381.564 3.692 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246577291 879697294 /nfs/dbraw/zinc/69/72/94/879697294.db2.gz LUCIAMUMMZSSMJ-TWWGPRNNSA-N 2 2 381.564 3.692 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246577291 879697304 /nfs/dbraw/zinc/69/73/04/879697304.db2.gz LUCIAMUMMZSSMJ-TWWGPRNNSA-N 2 2 381.564 3.692 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Br)cs1 ZINC000493961522 879778430 /nfs/dbraw/zinc/77/84/30/879778430.db2.gz QERYLRKERPEMIO-KBXCAEBGSA-N 2 2 395.366 3.798 20 0 GHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(Br)cs1 ZINC000493961522 879778439 /nfs/dbraw/zinc/77/84/39/879778439.db2.gz QERYLRKERPEMIO-KBXCAEBGSA-N 2 2 395.366 3.798 20 0 GHADLP CC(C)=CC[N@H+](Cc1ccc(Cl)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000467554277 879792485 /nfs/dbraw/zinc/79/24/85/879792485.db2.gz OSLSFAWVOYUSDT-UHFFFAOYSA-N 2 2 399.970 3.850 20 0 GHADLP CC(C)=CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000467554277 879792495 /nfs/dbraw/zinc/79/24/95/879792495.db2.gz OSLSFAWVOYUSDT-UHFFFAOYSA-N 2 2 399.970 3.850 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC000247370273 879983197 /nfs/dbraw/zinc/98/31/97/879983197.db2.gz HQRGXWWYFDHVLL-KGVIQGDOSA-N 2 2 376.504 3.797 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC000247370273 879983201 /nfs/dbraw/zinc/98/32/01/879983201.db2.gz HQRGXWWYFDHVLL-KGVIQGDOSA-N 2 2 376.504 3.797 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000531733079 880361468 /nfs/dbraw/zinc/36/14/68/880361468.db2.gz DFSHRJIWJRCCHM-HIFRSBDPSA-N 2 2 390.915 3.738 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(-c2ccccc2)nn1C ZINC000453071103 880392991 /nfs/dbraw/zinc/39/29/91/880392991.db2.gz WSXJRRKSINPAFQ-LJQANCHMSA-N 2 2 390.531 3.770 20 0 GHADLP O=C1[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000543704985 880538074 /nfs/dbraw/zinc/53/80/74/880538074.db2.gz MIEYBGOKJLALOA-SFHVURJKSA-N 2 2 382.335 3.563 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ncc(-c2ccccc2)n1C ZINC000453193145 880599566 /nfs/dbraw/zinc/59/95/66/880599566.db2.gz DXLKWUZALFEQGQ-XMSQKQJNSA-N 2 2 390.531 3.505 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ncc(-c2ccccc2)n1C ZINC000453193145 880599575 /nfs/dbraw/zinc/59/95/75/880599575.db2.gz DXLKWUZALFEQGQ-XMSQKQJNSA-N 2 2 390.531 3.505 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3cnn(C(C)C)c3)CC2)cc1 ZINC000453330256 880762826 /nfs/dbraw/zinc/76/28/26/880762826.db2.gz SDHVOXJAJWEUHS-QGZVFWFLSA-N 2 2 383.540 3.738 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000531937419 880791951 /nfs/dbraw/zinc/79/19/51/880791951.db2.gz JHCXJHXNADBORC-CQSZACIVSA-N 2 2 394.441 3.788 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)[C@H](c3ccccc3)[NH+](C)C)cn2c1 ZINC000186495857 880900883 /nfs/dbraw/zinc/90/08/83/880900883.db2.gz OMRLXOJIRUACLM-HTAPYJJXSA-N 2 2 396.560 3.684 20 0 GHADLP COCCOCc1ccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000643319226 912624886 /nfs/dbraw/zinc/62/48/86/912624886.db2.gz HPGQJZREKKFJJT-QHCPKHFHSA-N 2 2 382.548 3.992 20 0 GHADLP COCCOCc1ccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000643319226 912624894 /nfs/dbraw/zinc/62/48/94/912624894.db2.gz HPGQJZREKKFJJT-QHCPKHFHSA-N 2 2 382.548 3.992 20 0 GHADLP COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000792241964 880999376 /nfs/dbraw/zinc/99/93/76/880999376.db2.gz BRQUXDCMRKADOA-QFIPXVFZSA-N 2 2 390.487 3.792 20 0 GHADLP COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000792241964 880999382 /nfs/dbraw/zinc/99/93/82/880999382.db2.gz BRQUXDCMRKADOA-QFIPXVFZSA-N 2 2 390.487 3.792 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000792295693 881030693 /nfs/dbraw/zinc/03/06/93/881030693.db2.gz SDUANIDCOGBWAR-UHFFFAOYSA-N 2 2 383.442 3.943 20 0 GHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3cccc(Cl)c3F)CC2)CC1 ZINC000187011109 881048979 /nfs/dbraw/zinc/04/89/79/881048979.db2.gz LPGLZPUVARBHFS-INIZCTEOSA-N 2 2 395.950 3.806 20 0 GHADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCO1 ZINC001170177074 881185635 /nfs/dbraw/zinc/18/56/35/881185635.db2.gz DOYGANOLUGESLG-RBZQAINGSA-N 2 2 382.548 3.597 20 0 GHADLP O=C(N1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c2ccccc2C1)C(F)(F)F ZINC000858533325 883180000 /nfs/dbraw/zinc/18/00/00/883180000.db2.gz RUXJNUHRQJJYMI-PKOBYXMFSA-N 2 2 395.469 3.629 20 0 GHADLP O=C(N1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c2ccccc2C1)C(F)(F)F ZINC000858533325 883180005 /nfs/dbraw/zinc/18/00/05/883180005.db2.gz RUXJNUHRQJJYMI-PKOBYXMFSA-N 2 2 395.469 3.629 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)C[C@@H]1c1ccccc1 ZINC000551084252 883257881 /nfs/dbraw/zinc/25/78/81/883257881.db2.gz UFMLWBHCKIDKRX-HFSMHLIXSA-N 2 2 383.923 3.870 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)C[C@@H]1c1ccccc1 ZINC000551084252 883257895 /nfs/dbraw/zinc/25/78/95/883257895.db2.gz UFMLWBHCKIDKRX-HFSMHLIXSA-N 2 2 383.923 3.870 20 0 GHADLP CCn1ccnc1[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CCOCC1 ZINC000551178399 883432872 /nfs/dbraw/zinc/43/28/72/883432872.db2.gz YLXJCKHZJLTKAV-YPAWHYETSA-N 2 2 382.552 3.796 20 0 GHADLP CCn1ccnc1[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CCOCC1 ZINC000551178399 883432878 /nfs/dbraw/zinc/43/28/78/883432878.db2.gz YLXJCKHZJLTKAV-YPAWHYETSA-N 2 2 382.552 3.796 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1C ZINC000116540373 883586315 /nfs/dbraw/zinc/58/63/15/883586315.db2.gz OQYDFQIJLPRNAJ-SFHVURJKSA-N 2 2 396.535 3.732 20 0 GHADLP C[N@@H+]1CC[C@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)[C@@H]1c1ccccc1 ZINC000897601808 884049087 /nfs/dbraw/zinc/04/90/87/884049087.db2.gz XVHVFRBCLLWRBQ-VXKWHMMOSA-N 2 2 392.547 3.618 20 0 GHADLP C[N@H+]1CC[C@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)[C@@H]1c1ccccc1 ZINC000897601808 884049105 /nfs/dbraw/zinc/04/91/05/884049105.db2.gz XVHVFRBCLLWRBQ-VXKWHMMOSA-N 2 2 392.547 3.618 20 0 GHADLP COc1ccccc1[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccccn1 ZINC000760447602 884100693 /nfs/dbraw/zinc/10/06/93/884100693.db2.gz YIVROBHUUNSFEO-XMMPIXPASA-N 2 2 391.515 3.910 20 0 GHADLP CC[C@@H]1CC([N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496725 884302122 /nfs/dbraw/zinc/30/21/22/884302122.db2.gz LCHCAVMDUFBETH-XFKSJGNHSA-N 2 2 379.589 3.969 20 0 GHADLP CC[C@@H]1CC([N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496725 884302137 /nfs/dbraw/zinc/30/21/37/884302137.db2.gz LCHCAVMDUFBETH-XFKSJGNHSA-N 2 2 379.589 3.969 20 0 GHADLP CC[C@@H]1CC([NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496725 884302156 /nfs/dbraw/zinc/30/21/56/884302156.db2.gz LCHCAVMDUFBETH-XFKSJGNHSA-N 2 2 379.589 3.969 20 0 GHADLP CC[C@@H]1CC([NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496725 884302175 /nfs/dbraw/zinc/30/21/75/884302175.db2.gz LCHCAVMDUFBETH-XFKSJGNHSA-N 2 2 379.589 3.969 20 0 GHADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+]([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168178908 884457507 /nfs/dbraw/zinc/45/75/07/884457507.db2.gz FXHVNUIZDKTYRS-INIZCTEOSA-N 2 2 375.948 3.609 20 0 GHADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+]([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168178908 884457511 /nfs/dbraw/zinc/45/75/11/884457511.db2.gz FXHVNUIZDKTYRS-INIZCTEOSA-N 2 2 375.948 3.609 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+]([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168178908 884457513 /nfs/dbraw/zinc/45/75/13/884457513.db2.gz FXHVNUIZDKTYRS-INIZCTEOSA-N 2 2 375.948 3.609 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+]([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168178908 884457516 /nfs/dbraw/zinc/45/75/16/884457516.db2.gz FXHVNUIZDKTYRS-INIZCTEOSA-N 2 2 375.948 3.609 20 0 GHADLP COc1ccc(Br)cc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165399 884971386 /nfs/dbraw/zinc/97/13/86/884971386.db2.gz ZJRFEWXVGTXRQR-UHFFFAOYSA-N 2 2 378.314 3.646 20 0 GHADLP C[NH+](C)Cc1cccc(NC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000107325425 885342605 /nfs/dbraw/zinc/34/26/05/885342605.db2.gz YIPUENPHDVUATE-UHFFFAOYSA-N 2 2 381.524 3.845 20 0 GHADLP CN(C(=O)c1cc2[nH]ccc2s1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000476469388 885954228 /nfs/dbraw/zinc/95/42/28/885954228.db2.gz GOVBERCDVNLWCR-ZWKOTPCHSA-N 2 2 388.581 3.639 20 0 GHADLP CN(C(=O)c1cc2[nH]ccc2s1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000476469388 885954232 /nfs/dbraw/zinc/95/42/32/885954232.db2.gz GOVBERCDVNLWCR-ZWKOTPCHSA-N 2 2 388.581 3.639 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@H]1c1ccccc1 ZINC000550703854 885955872 /nfs/dbraw/zinc/95/58/72/885955872.db2.gz PLELTHCSKYSQML-TYPHKJRUSA-N 2 2 383.923 3.870 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@H]1c1ccccc1 ZINC000550703854 885955883 /nfs/dbraw/zinc/95/58/83/885955883.db2.gz PLELTHCSKYSQML-TYPHKJRUSA-N 2 2 383.923 3.870 20 0 GHADLP CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001168208263 886045624 /nfs/dbraw/zinc/04/56/24/886045624.db2.gz MFEAEIRIVPYFDF-UHFFFAOYSA-N 2 2 381.564 3.519 20 0 GHADLP Brc1cc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cs1 ZINC000642338843 886087093 /nfs/dbraw/zinc/08/70/93/886087093.db2.gz CKLVLDDOXAFWOD-UHFFFAOYSA-N 2 2 394.382 3.813 20 0 GHADLP Cc1cccc(COCc2cnc3n2CC[N@H+](C2CCC([NH+](C)C)CC2)[C@H]3C)n1 ZINC001168319260 886226335 /nfs/dbraw/zinc/22/63/35/886226335.db2.gz QBNFDCZWSBXRCP-PELRDEGISA-N 2 2 397.567 3.553 20 0 GHADLP Cc1cccc(COCc2cnc3n2CC[N@@H+](C2CCC([NH+](C)C)CC2)[C@H]3C)n1 ZINC001168319260 886226351 /nfs/dbraw/zinc/22/63/51/886226351.db2.gz QBNFDCZWSBXRCP-PELRDEGISA-N 2 2 397.567 3.553 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173453782 886310391 /nfs/dbraw/zinc/31/03/91/886310391.db2.gz KSFVOFRZBGBPJE-SJORKVTESA-N 2 2 398.532 3.534 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1C ZINC000195138352 886448482 /nfs/dbraw/zinc/44/84/82/886448482.db2.gz OEURXCFJDJNMLU-NRFANRHFSA-N 2 2 396.535 3.686 20 0 GHADLP C[C@H](CN(C)Cc1ccccc1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000808724641 886708336 /nfs/dbraw/zinc/70/83/36/886708336.db2.gz YWQIKEPEDDFYRR-HXUWFJFHSA-N 2 2 380.580 3.832 20 0 GHADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000236934236 886896418 /nfs/dbraw/zinc/89/64/18/886896418.db2.gz GCUHLJNRHFTDLS-CQSZACIVSA-N 2 2 377.330 3.661 20 0 GHADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000236934236 886896447 /nfs/dbraw/zinc/89/64/47/886896447.db2.gz GCUHLJNRHFTDLS-CQSZACIVSA-N 2 2 377.330 3.661 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C[C@H](C)O1 ZINC000237774475 886990565 /nfs/dbraw/zinc/99/05/65/886990565.db2.gz JIVXFTCQROLWDZ-BGYRXZFFSA-N 2 2 396.579 3.814 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C[C@H](C)O1 ZINC000237774475 886990578 /nfs/dbraw/zinc/99/05/78/886990578.db2.gz JIVXFTCQROLWDZ-BGYRXZFFSA-N 2 2 396.579 3.814 20 0 GHADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000475912281 887701632 /nfs/dbraw/zinc/70/16/32/887701632.db2.gz RIKUSSJBKSQNMZ-HNNXBMFYSA-N 2 2 392.494 3.640 20 0 GHADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000475912281 887701644 /nfs/dbraw/zinc/70/16/44/887701644.db2.gz RIKUSSJBKSQNMZ-HNNXBMFYSA-N 2 2 392.494 3.640 20 0 GHADLP CN1c2ccc(C[N@H+](Cc3ccccc3)C3CC[NH+](C)CC3)cc2CCC1=O ZINC000809767069 887755085 /nfs/dbraw/zinc/75/50/85/887755085.db2.gz XALASDQKFYLOHQ-UHFFFAOYSA-N 2 2 377.532 3.692 20 0 GHADLP CN1c2ccc(C[N@@H+](Cc3ccccc3)C3CC[NH+](C)CC3)cc2CCC1=O ZINC000809767069 887755093 /nfs/dbraw/zinc/75/50/93/887755093.db2.gz XALASDQKFYLOHQ-UHFFFAOYSA-N 2 2 377.532 3.692 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000809749885 887786687 /nfs/dbraw/zinc/78/66/87/887786687.db2.gz SKSHPHMWCHSKAC-IBGZPJMESA-N 2 2 376.545 3.775 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)nn1 ZINC001170587012 887826319 /nfs/dbraw/zinc/82/63/19/887826319.db2.gz ZNYVGTFOVKMFDO-MRXNPFEDSA-N 2 2 391.306 3.992 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1cc2ccccc2s1 ZINC000120159714 887893305 /nfs/dbraw/zinc/89/33/05/887893305.db2.gz KSAVGQNJVSOCLU-UXPWSPDFSA-N 2 2 381.545 3.830 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1cc2ccccc2s1 ZINC000120159714 887893310 /nfs/dbraw/zinc/89/33/10/887893310.db2.gz KSAVGQNJVSOCLU-UXPWSPDFSA-N 2 2 381.545 3.830 20 0 GHADLP O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001184405225 913192792 /nfs/dbraw/zinc/19/27/92/913192792.db2.gz ZCWRCTLBKJLHEH-QZTJIDSGSA-N 2 2 386.927 3.681 20 0 GHADLP O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001184405225 913192794 /nfs/dbraw/zinc/19/27/94/913192794.db2.gz ZCWRCTLBKJLHEH-QZTJIDSGSA-N 2 2 386.927 3.681 20 0 GHADLP O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001184405226 913193260 /nfs/dbraw/zinc/19/32/60/913193260.db2.gz ZCWRCTLBKJLHEH-ROUUACIJSA-N 2 2 386.927 3.681 20 0 GHADLP O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001184405226 913193267 /nfs/dbraw/zinc/19/32/67/913193267.db2.gz ZCWRCTLBKJLHEH-ROUUACIJSA-N 2 2 386.927 3.681 20 0 GHADLP COc1cc[nH+]cc1NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001170594078 888055072 /nfs/dbraw/zinc/05/50/72/888055072.db2.gz AQIHUYYBJVTPLT-NRFANRHFSA-N 2 2 377.488 3.565 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCCN(c4ccccc4)C3)CC2)cc1 ZINC000120381235 888186794 /nfs/dbraw/zinc/18/67/94/888186794.db2.gz QLPPMNDVIQRBET-NRFANRHFSA-N 2 2 378.564 3.980 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC[N@@H+]1C ZINC000123336573 888789056 /nfs/dbraw/zinc/78/90/56/888789056.db2.gz JQERVZRZAYYNRS-ICSRJNTNSA-N 2 2 393.531 3.661 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC[N@H+]1C ZINC000123336573 888789062 /nfs/dbraw/zinc/78/90/62/888789062.db2.gz JQERVZRZAYYNRS-ICSRJNTNSA-N 2 2 393.531 3.661 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC[NH+]1C ZINC000123336573 888789070 /nfs/dbraw/zinc/78/90/70/888789070.db2.gz JQERVZRZAYYNRS-ICSRJNTNSA-N 2 2 393.531 3.661 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC[NH+]1C ZINC000123336573 888789079 /nfs/dbraw/zinc/78/90/79/888789079.db2.gz JQERVZRZAYYNRS-ICSRJNTNSA-N 2 2 393.531 3.661 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000866452788 888884385 /nfs/dbraw/zinc/88/43/85/888884385.db2.gz BAMNSSTYAXIJLM-IYARVYRRSA-N 2 2 388.556 3.724 20 0 GHADLP c1csc([C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c2nnc[nH]2)c1 ZINC000866470094 888895766 /nfs/dbraw/zinc/89/57/66/888895766.db2.gz PBPAELMRYRETMF-HXUWFJFHSA-N 2 2 381.549 3.848 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000245547250 888899744 /nfs/dbraw/zinc/89/97/44/888899744.db2.gz WJBKLWJLFOXOJP-YXUAKONQSA-N 2 2 387.568 3.782 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000245547250 888899766 /nfs/dbraw/zinc/89/97/66/888899766.db2.gz WJBKLWJLFOXOJP-YXUAKONQSA-N 2 2 387.568 3.782 20 0 GHADLP CC(C)C[C@H](C[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)[NH+](C)C ZINC000532764074 888907319 /nfs/dbraw/zinc/90/73/19/888907319.db2.gz ZQBSHOSUGSLQEX-CEXWTWQISA-N 2 2 385.552 3.550 20 0 GHADLP C[C@@H]([NH2+]Cc1ncc(Br)s1)c1cccc(OCC[NH+](C)C)c1 ZINC000866617002 888970596 /nfs/dbraw/zinc/97/05/96/888970596.db2.gz WOCJPXSLOYSLNK-GFCCVEGCSA-N 2 2 384.343 3.697 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC[NH+]2CCCCCC2)C[C@H]1C(F)(F)F ZINC001168509815 888986659 /nfs/dbraw/zinc/98/66/59/888986659.db2.gz QNTNOLLPRSZVCX-HOTGVXAUSA-N 2 2 393.494 3.782 20 0 GHADLP OC[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1C(F)(F)F ZINC000532865653 889117611 /nfs/dbraw/zinc/11/76/11/889117611.db2.gz BVDMVYFTCLPLQP-QGZVFWFLSA-N 2 2 389.421 3.832 20 0 GHADLP O[C@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)Cn1c2ccccc2c2ccccc21 ZINC000644518698 913330502 /nfs/dbraw/zinc/33/05/02/913330502.db2.gz YBDRTKUMTDNRLJ-LJQANCHMSA-N 2 2 388.515 3.521 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001168512560 889338919 /nfs/dbraw/zinc/33/89/19/889338919.db2.gz KHKBXXLYWZIFGK-JOCHJYFZSA-N 2 2 397.482 3.809 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)cc1Cl ZINC000533025669 889535127 /nfs/dbraw/zinc/53/51/27/889535127.db2.gz UWDCVBFCZSSOSV-LBPRGKRZSA-N 2 2 381.307 3.773 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CCN(c4cccc[nH+]4)CC2)C3)cc1 ZINC000245784088 889717518 /nfs/dbraw/zinc/71/75/18/889717518.db2.gz ZHESERSFQFISCE-WBDAEOGXSA-N 3 2 376.548 3.836 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CCN(c4cccc[nH+]4)CC2)C3)cc1 ZINC000245784088 889717537 /nfs/dbraw/zinc/71/75/37/889717537.db2.gz ZHESERSFQFISCE-WBDAEOGXSA-N 3 2 376.548 3.836 20 0 GHADLP C[C@H]1C[C@@H](CCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000533119599 889818141 /nfs/dbraw/zinc/81/81/41/889818141.db2.gz BFODLIAZFHXRCQ-AZUAARDMSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@H]1C[C@@H](CCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000533119599 889818156 /nfs/dbraw/zinc/81/81/56/889818156.db2.gz BFODLIAZFHXRCQ-AZUAARDMSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@H]1C[C@@H](CCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000533119599 889818173 /nfs/dbraw/zinc/81/81/73/889818173.db2.gz BFODLIAZFHXRCQ-AZUAARDMSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@H]1C[C@@H](CCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000533119599 889818183 /nfs/dbraw/zinc/81/81/83/889818183.db2.gz BFODLIAZFHXRCQ-AZUAARDMSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccc(Br)c(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205315894 913465606 /nfs/dbraw/zinc/46/56/06/913465606.db2.gz HZQNTIGXUCUADY-CMPLNLGQSA-N 2 2 381.236 3.764 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccc(Br)c(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205315894 913465615 /nfs/dbraw/zinc/46/56/15/913465615.db2.gz HZQNTIGXUCUADY-CMPLNLGQSA-N 2 2 381.236 3.764 20 0 GHADLP CC[NH+]1CC[C@H]([NH+](C)CCCCC[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000533447097 890608085 /nfs/dbraw/zinc/60/80/85/890608085.db2.gz ZFFLLBSSBDUVJL-ZCQNZVIGSA-N 4 2 380.665 3.766 20 0 GHADLP CC[NH+]1CC[C@H]([NH+](C)CCCCC[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000533447097 890608088 /nfs/dbraw/zinc/60/80/88/890608088.db2.gz ZFFLLBSSBDUVJL-ZCQNZVIGSA-N 4 2 380.665 3.766 20 0 GHADLP CC[NH+]1CC[C@H]([NH+](C)CCCCC[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000533447097 890608090 /nfs/dbraw/zinc/60/80/90/890608090.db2.gz ZFFLLBSSBDUVJL-ZCQNZVIGSA-N 4 2 380.665 3.766 20 0 GHADLP CC[NH+]1CC[C@H]([NH+](C)CCCCC[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000533447097 890608097 /nfs/dbraw/zinc/60/80/97/890608097.db2.gz ZFFLLBSSBDUVJL-ZCQNZVIGSA-N 4 2 380.665 3.766 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000533484183 890693541 /nfs/dbraw/zinc/69/35/41/890693541.db2.gz CGOYRUMHWGJKJU-UHFFFAOYSA-N 2 2 398.894 3.819 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCN(c3ccccc3F)C2=O)c(C)c1 ZINC000533534717 890826934 /nfs/dbraw/zinc/82/69/34/890826934.db2.gz SSJARZZNRYZTKM-LEWJYISDSA-N 2 2 392.478 3.775 20 0 GHADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000533563414 890852993 /nfs/dbraw/zinc/85/29/93/890852993.db2.gz XZEFNBYMJARNEQ-IBGZPJMESA-N 2 2 382.426 3.900 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000246303824 890980381 /nfs/dbraw/zinc/98/03/81/890980381.db2.gz DGXSITHTCXHPLI-PKOBYXMFSA-N 2 2 393.560 3.643 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000246303824 890980395 /nfs/dbraw/zinc/98/03/95/890980395.db2.gz DGXSITHTCXHPLI-PKOBYXMFSA-N 2 2 393.560 3.643 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000246303801 891017840 /nfs/dbraw/zinc/01/78/40/891017840.db2.gz DGXSITHTCXHPLI-IEBWSBKVSA-N 2 2 393.560 3.643 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000246303801 891017847 /nfs/dbraw/zinc/01/78/47/891017847.db2.gz DGXSITHTCXHPLI-IEBWSBKVSA-N 2 2 393.560 3.643 20 0 GHADLP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1c(F)cccc1Cl ZINC000812835320 891021843 /nfs/dbraw/zinc/02/18/43/891021843.db2.gz OOUWKESGVZJGKT-FQEVSTJZSA-N 2 2 394.893 3.948 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(-n2ccnn2)cc1 ZINC000812839824 891027355 /nfs/dbraw/zinc/02/73/55/891027355.db2.gz JXHHKALBZAIQHP-SFHVURJKSA-N 2 2 390.535 3.653 20 0 GHADLP COc1ccc(COCC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000812842638 891030580 /nfs/dbraw/zinc/03/05/80/891030580.db2.gz OJERMJZUZBTVMY-UHFFFAOYSA-N 2 2 383.536 3.536 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170690674 891103501 /nfs/dbraw/zinc/10/35/01/891103501.db2.gz UIDCVJMPSPOUKP-SIKLNZKXSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170690674 891103506 /nfs/dbraw/zinc/10/35/06/891103506.db2.gz UIDCVJMPSPOUKP-SIKLNZKXSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170690674 891103510 /nfs/dbraw/zinc/10/35/10/891103510.db2.gz UIDCVJMPSPOUKP-SIKLNZKXSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170690674 891103516 /nfs/dbraw/zinc/10/35/16/891103516.db2.gz UIDCVJMPSPOUKP-SIKLNZKXSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[NH+](C)C ZINC000066932494 891114354 /nfs/dbraw/zinc/11/43/54/891114354.db2.gz KJYPJLVEMUNFSO-SFHVURJKSA-N 2 2 386.367 3.660 20 0 GHADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000628476248 891210587 /nfs/dbraw/zinc/21/05/87/891210587.db2.gz OYYJFBXPNSXFHB-SFHVURJKSA-N 2 2 378.532 3.590 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000246959325 891325565 /nfs/dbraw/zinc/32/55/65/891325565.db2.gz IMYLWHZCCSECFX-SELNLUPBSA-N 2 2 382.527 3.547 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000246959325 891325581 /nfs/dbraw/zinc/32/55/81/891325581.db2.gz IMYLWHZCCSECFX-SELNLUPBSA-N 2 2 382.527 3.547 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000247127471 891348144 /nfs/dbraw/zinc/34/81/44/891348144.db2.gz RNDHLVFYCTVINR-WMLDXEAASA-N 2 2 394.382 3.948 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000247127471 891348159 /nfs/dbraw/zinc/34/81/59/891348159.db2.gz RNDHLVFYCTVINR-WMLDXEAASA-N 2 2 394.382 3.948 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@@H](c3ccc(F)cc3)c3cnccn3)CC2)[nH+]1 ZINC000497398274 891494155 /nfs/dbraw/zinc/49/41/55/891494155.db2.gz AJHSKPIZMCOZMK-QFIPXVFZSA-N 2 2 377.467 3.667 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000249102852 891495176 /nfs/dbraw/zinc/49/51/76/891495176.db2.gz WPCAMUKPAHQVBH-VQIMIIECSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000249102852 891495182 /nfs/dbraw/zinc/49/51/82/891495182.db2.gz WPCAMUKPAHQVBH-VQIMIIECSA-N 2 2 375.463 3.726 20 0 GHADLP [NH3+]C[C@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C[C@@H]1C(F)(F)F ZINC000873228164 891534142 /nfs/dbraw/zinc/53/41/42/891534142.db2.gz QACLJQRSIVQPSV-ROUUACIJSA-N 2 2 392.469 3.794 20 0 GHADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C[C@@H]1C(F)(F)F ZINC000873228164 891534150 /nfs/dbraw/zinc/53/41/50/891534150.db2.gz QACLJQRSIVQPSV-ROUUACIJSA-N 2 2 392.469 3.794 20 0 GHADLP Cc1ccc(-c2cccc(C[NH+]3CCC(c4nnc5n4CC[NH2+]C5)CC3)c2)cc1 ZINC000261715313 892086574 /nfs/dbraw/zinc/08/65/74/892086574.db2.gz KHRNRNKTSOKJEE-UHFFFAOYSA-N 2 2 387.531 3.736 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1OCC(F)(F)F ZINC000508677984 892350948 /nfs/dbraw/zinc/35/09/48/892350948.db2.gz PBGUXJFBSYPNNX-HNNXBMFYSA-N 2 2 397.441 3.825 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1OCC(F)(F)F ZINC000508677984 892350968 /nfs/dbraw/zinc/35/09/68/892350968.db2.gz PBGUXJFBSYPNNX-HNNXBMFYSA-N 2 2 397.441 3.825 20 0 GHADLP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001137084690 892408513 /nfs/dbraw/zinc/40/85/13/892408513.db2.gz ALWHJZUHIIDFIS-YADHBBJMSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001137084690 892408524 /nfs/dbraw/zinc/40/85/24/892408524.db2.gz ALWHJZUHIIDFIS-YADHBBJMSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001137084690 892408532 /nfs/dbraw/zinc/40/85/32/892408532.db2.gz ALWHJZUHIIDFIS-YADHBBJMSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001137084690 892408536 /nfs/dbraw/zinc/40/85/36/892408536.db2.gz ALWHJZUHIIDFIS-YADHBBJMSA-N 2 2 387.543 3.561 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000747925760 892412989 /nfs/dbraw/zinc/41/29/89/892412989.db2.gz HTJRWMLVVGSERN-PXNSSMCTSA-N 2 2 388.556 3.596 20 0 GHADLP CCC(CC)(CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000533733588 892735206 /nfs/dbraw/zinc/73/52/06/892735206.db2.gz YYXKWFGZGVOCDA-AZUAARDMSA-N 2 2 397.567 3.829 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508714123 892792489 /nfs/dbraw/zinc/79/24/89/892792489.db2.gz URPJXNBCPNWONB-SQJMNOBHSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714123 892792496 /nfs/dbraw/zinc/79/24/96/892792496.db2.gz URPJXNBCPNWONB-SQJMNOBHSA-N 3 2 393.575 3.519 20 0 GHADLP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000778188437 893177082 /nfs/dbraw/zinc/17/70/82/893177082.db2.gz HCESRDOUDUYRRS-MRXNPFEDSA-N 2 2 390.318 3.848 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000428700474 893328563 /nfs/dbraw/zinc/32/85/63/893328563.db2.gz LRZGNEJHICDJSF-UHFFFAOYSA-N 2 2 377.577 3.522 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2ccccc2C(C)(F)F)([NH+]2CCCCC2)CC1 ZINC000455812705 893376491 /nfs/dbraw/zinc/37/64/91/893376491.db2.gz TUKKCJVWRAPGSR-UHFFFAOYSA-N 2 2 394.510 3.870 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444788851 893509395 /nfs/dbraw/zinc/50/93/95/893509395.db2.gz BAUNLKXXIBVANB-UONOGXRCSA-N 2 2 380.414 3.646 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444788851 893509415 /nfs/dbraw/zinc/50/94/15/893509415.db2.gz BAUNLKXXIBVANB-UONOGXRCSA-N 2 2 380.414 3.646 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444791344 893530422 /nfs/dbraw/zinc/53/04/22/893530422.db2.gz AZIJBGGDQLNJRL-UONOGXRCSA-N 2 2 396.413 3.525 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444791344 893530437 /nfs/dbraw/zinc/53/04/37/893530437.db2.gz AZIJBGGDQLNJRL-UONOGXRCSA-N 2 2 396.413 3.525 20 0 GHADLP CC[N@@H+](Cc1ccccc1CC(=O)OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000154721304 893663971 /nfs/dbraw/zinc/66/39/71/893663971.db2.gz TZBYVJAXDBVRCX-UHFFFAOYSA-N 2 2 381.520 3.536 20 0 GHADLP CC[N@H+](Cc1ccccc1CC(=O)OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000154721304 893663973 /nfs/dbraw/zinc/66/39/73/893663973.db2.gz TZBYVJAXDBVRCX-UHFFFAOYSA-N 2 2 381.520 3.536 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536836816 893910797 /nfs/dbraw/zinc/91/07/97/893910797.db2.gz CIJPUTHBZVNWQS-OXQOHEQNSA-N 2 2 378.451 3.858 20 0 GHADLP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1nc2c(s1)CCCC2 ZINC000423581361 894631076 /nfs/dbraw/zinc/63/10/76/894631076.db2.gz YVVOTVADKNGTFI-QGZVFWFLSA-N 2 2 384.593 3.666 20 0 GHADLP Cc1nc(COc2ccc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cc2)no1 ZINC000564320383 894861390 /nfs/dbraw/zinc/86/13/90/894861390.db2.gz DQJURQAOONTFDQ-UHFFFAOYSA-N 2 2 395.507 3.846 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc2c(c1)OCCCO2 ZINC000537455896 895033512 /nfs/dbraw/zinc/03/35/12/895033512.db2.gz LRBLOOUOTOUPFV-LPHOPBHVSA-N 2 2 382.508 3.556 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C)C2)s1 ZINC000564801233 895255903 /nfs/dbraw/zinc/25/59/03/895255903.db2.gz CYDDYDKTRYRQQQ-OALUTQOASA-N 2 2 379.614 3.844 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C)C2)s1 ZINC000564801233 895255917 /nfs/dbraw/zinc/25/59/17/895255917.db2.gz CYDDYDKTRYRQQQ-OALUTQOASA-N 2 2 379.614 3.844 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C)C2)s1 ZINC000564801233 895255924 /nfs/dbraw/zinc/25/59/24/895255924.db2.gz CYDDYDKTRYRQQQ-OALUTQOASA-N 2 2 379.614 3.844 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C)C2)s1 ZINC000564801233 895255940 /nfs/dbraw/zinc/25/59/40/895255940.db2.gz CYDDYDKTRYRQQQ-OALUTQOASA-N 2 2 379.614 3.844 20 0 GHADLP O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000817275726 895461787 /nfs/dbraw/zinc/46/17/87/895461787.db2.gz MXHRUNGGFXBINE-ZEQRLZLVSA-N 2 2 398.522 3.746 20 0 GHADLP O[C@@H](C[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000817275726 895461796 /nfs/dbraw/zinc/46/17/96/895461796.db2.gz MXHRUNGGFXBINE-ZEQRLZLVSA-N 2 2 398.522 3.746 20 0 GHADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@H](C[NH2+][C@@H](C)c1nccnc1C)C1CCCC1 ZINC000880109835 895522146 /nfs/dbraw/zinc/52/21/46/895522146.db2.gz JNNZJCYRSSIPPX-OPVJXMOQSA-N 2 2 382.556 3.691 20 0 GHADLP CC(C)Oc1cccc([C@@H](O)C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000128387056 895673512 /nfs/dbraw/zinc/67/35/12/895673512.db2.gz QFDYJBIMQZGRBY-DEOSSOPVSA-N 2 2 397.563 3.832 20 0 GHADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CCc2cccnc2CC1 ZINC000817581503 895751145 /nfs/dbraw/zinc/75/11/45/895751145.db2.gz SKYWNFUBCPLGDP-IBGZPJMESA-N 2 2 380.536 3.592 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc4ccc(C(C)C)cc4[nH]3)CC2)CC1 ZINC000817658656 895795666 /nfs/dbraw/zinc/79/56/66/895795666.db2.gz HWASOCOLUILNHE-UHFFFAOYSA-N 2 2 396.579 3.924 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc4ccc(C(C)C)cc4[nH]3)CC2)CC1 ZINC000817658656 895795684 /nfs/dbraw/zinc/79/56/84/895795684.db2.gz HWASOCOLUILNHE-UHFFFAOYSA-N 2 2 396.579 3.924 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C(/C)c3ccccc3Cl)CC2)CC1 ZINC000817659644 895796549 /nfs/dbraw/zinc/79/65/49/895796549.db2.gz WTMNMJDPTNDDRC-ZCXUNETKSA-N 2 2 389.971 3.762 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C(/C)c3ccccc3Cl)CC2)CC1 ZINC000817659644 895796559 /nfs/dbraw/zinc/79/65/59/895796559.db2.gz WTMNMJDPTNDDRC-ZCXUNETKSA-N 2 2 389.971 3.762 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(C4CC4)cc3F)CC2)CC1 ZINC000880750519 895852599 /nfs/dbraw/zinc/85/25/99/895852599.db2.gz DNQCNDKWHLENDJ-UHFFFAOYSA-N 2 2 388.531 3.727 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(C4CC4)cc3F)CC2)CC1 ZINC000880750519 895852608 /nfs/dbraw/zinc/85/26/08/895852608.db2.gz DNQCNDKWHLENDJ-UHFFFAOYSA-N 2 2 388.531 3.727 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc4ccc(Br)cc4s3)CC[C@H]21 ZINC000774911007 914014373 /nfs/dbraw/zinc/01/43/73/914014373.db2.gz DUDLWDOVERPOSK-SWLSCSKDSA-N 2 2 380.355 3.975 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc4ccc(Br)cc4s3)CC[C@H]21 ZINC000774911007 914014390 /nfs/dbraw/zinc/01/43/90/914014390.db2.gz DUDLWDOVERPOSK-SWLSCSKDSA-N 2 2 380.355 3.975 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc4ccc(Br)cc4s3)CC[C@H]21 ZINC000774911007 914014398 /nfs/dbraw/zinc/01/43/98/914014398.db2.gz DUDLWDOVERPOSK-SWLSCSKDSA-N 2 2 380.355 3.975 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc4ccc(Br)cc4s3)CC[C@H]21 ZINC000774911007 914014412 /nfs/dbraw/zinc/01/44/12/914014412.db2.gz DUDLWDOVERPOSK-SWLSCSKDSA-N 2 2 380.355 3.975 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000566417078 896297446 /nfs/dbraw/zinc/29/74/46/896297446.db2.gz RQXVVRNODFFIMC-MJBXVCDLSA-N 2 2 395.334 3.782 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000566417078 896297461 /nfs/dbraw/zinc/29/74/61/896297461.db2.gz RQXVVRNODFFIMC-MJBXVCDLSA-N 2 2 395.334 3.782 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000819183511 896454028 /nfs/dbraw/zinc/45/40/28/896454028.db2.gz PNMHKGYFIDYWIS-MGPUTAFESA-N 2 2 393.453 3.949 20 0 GHADLP COCc1cc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)ccc1OC ZINC000567600217 897283555 /nfs/dbraw/zinc/28/35/55/897283555.db2.gz MEUAVIQOUURYJF-JXFKEZNVSA-N 2 2 384.524 3.550 20 0 GHADLP CC(C)c1ccc(-c2nc(C[N@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)cs2)cc1 ZINC000567986791 897524078 /nfs/dbraw/zinc/52/40/78/897524078.db2.gz DKOLORYHNFTZSX-HXUWFJFHSA-N 2 2 396.564 3.821 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386148 897548538 /nfs/dbraw/zinc/54/85/38/897548538.db2.gz AIGNPWHTLVUNMW-KKSFZXQISA-N 2 2 378.476 3.942 20 0 GHADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883386978 897550540 /nfs/dbraw/zinc/55/05/40/897550540.db2.gz PQTMFKSXONUMTE-DYESRHJHSA-N 2 2 378.476 3.640 20 0 GHADLP CCOc1ccccc1NC(=O)CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289440754 914189008 /nfs/dbraw/zinc/18/90/08/914189008.db2.gz TWQHDLVSKLXQGS-UHFFFAOYSA-N 2 2 383.492 3.661 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000132780056 897906605 /nfs/dbraw/zinc/90/66/05/897906605.db2.gz YLGNACMZEKLILO-UHFFFAOYSA-N 2 2 378.564 3.980 20 0 GHADLP CC[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1csc(C)c1 ZINC000646128602 914273057 /nfs/dbraw/zinc/27/30/57/914273057.db2.gz YMMGGSYPSAVSIP-FQEVSTJZSA-N 2 2 387.549 3.568 20 0 GHADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569482030 898700877 /nfs/dbraw/zinc/70/08/77/898700877.db2.gz XFINJIUARLIOCG-XPGWFJOJSA-N 2 2 389.902 3.597 20 0 GHADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569482030 898700879 /nfs/dbraw/zinc/70/08/79/898700879.db2.gz XFINJIUARLIOCG-XPGWFJOJSA-N 2 2 389.902 3.597 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)CCC2 ZINC000569926793 899027671 /nfs/dbraw/zinc/02/76/71/899027671.db2.gz STKCXWHJTQQIIA-FGZHOGPDSA-N 2 2 394.563 3.694 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)CCC2 ZINC000569926793 899027685 /nfs/dbraw/zinc/02/76/85/899027685.db2.gz STKCXWHJTQQIIA-FGZHOGPDSA-N 2 2 394.563 3.694 20 0 GHADLP c1cn(CCCC2CC[NH+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)CC2)c[nH+]1 ZINC000570437486 899319173 /nfs/dbraw/zinc/31/91/73/899319173.db2.gz ZPNAFQMLRJJVBU-UHFFFAOYSA-N 2 2 393.491 3.694 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000824414421 899612395 /nfs/dbraw/zinc/61/23/95/899612395.db2.gz ALAXGZUPBQFPAU-TVKQPGBESA-N 2 2 388.556 3.815 20 0 GHADLP Cc1ccn2c(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)cnc2c1 ZINC001136889478 899649887 /nfs/dbraw/zinc/64/98/87/899649887.db2.gz YYEJZHGXHNBHGW-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccn2c(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)cnc2c1 ZINC001136889478 899649893 /nfs/dbraw/zinc/64/98/93/899649893.db2.gz YYEJZHGXHNBHGW-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccn2c(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)cnc2c1 ZINC001136889478 899649895 /nfs/dbraw/zinc/64/98/95/899649895.db2.gz YYEJZHGXHNBHGW-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccn2c(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)cnc2c1 ZINC001136889478 899649901 /nfs/dbraw/zinc/64/99/01/899649901.db2.gz YYEJZHGXHNBHGW-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP FC(F)COc1ccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001136938478 899796516 /nfs/dbraw/zinc/79/65/16/899796516.db2.gz XTWHFARYQOMVSG-HDICACEKSA-N 2 2 376.447 3.877 20 0 GHADLP FC(F)COc1ccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001136938478 899796527 /nfs/dbraw/zinc/79/65/27/899796527.db2.gz XTWHFARYQOMVSG-HDICACEKSA-N 2 2 376.447 3.877 20 0 GHADLP FC(F)COc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cc1 ZINC001136938478 899796536 /nfs/dbraw/zinc/79/65/36/899796536.db2.gz XTWHFARYQOMVSG-HDICACEKSA-N 2 2 376.447 3.877 20 0 GHADLP FC(F)COc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cc1 ZINC001136938478 899796541 /nfs/dbraw/zinc/79/65/41/899796541.db2.gz XTWHFARYQOMVSG-HDICACEKSA-N 2 2 376.447 3.877 20 0 GHADLP O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000824776686 899800754 /nfs/dbraw/zinc/80/07/54/899800754.db2.gz JDGYUXOUXFLCKO-NRFANRHFSA-N 2 2 382.895 3.866 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000332993278 899884662 /nfs/dbraw/zinc/88/46/62/899884662.db2.gz BQMYGARSRCLHFG-QGZVFWFLSA-N 2 2 396.535 3.743 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4cc(C)ccc4n3)CC2)C1 ZINC001137211342 900146912 /nfs/dbraw/zinc/14/69/12/900146912.db2.gz OZAFBYNZIITXFG-HXUWFJFHSA-N 2 2 395.547 3.783 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4cc(C)ccc4n3)CC2)C1 ZINC001137211342 900146917 /nfs/dbraw/zinc/14/69/17/900146917.db2.gz OZAFBYNZIITXFG-HXUWFJFHSA-N 2 2 395.547 3.783 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](CC[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)C1 ZINC001171098519 900436538 /nfs/dbraw/zinc/43/65/38/900436538.db2.gz KFFAPTMUPKLAJS-IZBJGVDFSA-N 2 2 383.502 3.584 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000048485355 900760092 /nfs/dbraw/zinc/76/00/92/900760092.db2.gz ZNKXCYRAPCBEFD-UHFFFAOYSA-N 2 2 395.551 3.521 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000048485355 900760104 /nfs/dbraw/zinc/76/01/04/900760104.db2.gz ZNKXCYRAPCBEFD-UHFFFAOYSA-N 2 2 395.551 3.521 20 0 GHADLP O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000575871407 901411117 /nfs/dbraw/zinc/41/11/17/901411117.db2.gz AROCJGFDMJNLBD-KRWDZBQOSA-N 2 2 384.549 3.662 20 0 GHADLP Cn1nc(C(F)(F)F)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1Cl ZINC000290137039 914540550 /nfs/dbraw/zinc/54/05/50/914540550.db2.gz KAZFUKZCCCNASN-UHFFFAOYSA-N 2 2 383.805 3.627 20 0 GHADLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(O)cc3C(F)(F)F)C2)C1 ZINC001144386949 901977015 /nfs/dbraw/zinc/97/70/15/901977015.db2.gz PYWUGGLEOLAJEE-YLJYHZDGSA-N 2 2 398.469 3.591 20 0 GHADLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(O)cc3C(F)(F)F)C2)C1 ZINC001144386949 901977023 /nfs/dbraw/zinc/97/70/23/901977023.db2.gz PYWUGGLEOLAJEE-YLJYHZDGSA-N 2 2 398.469 3.591 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(O)cc3C(F)(F)F)C2)C1 ZINC001144386949 901977033 /nfs/dbraw/zinc/97/70/33/901977033.db2.gz PYWUGGLEOLAJEE-YLJYHZDGSA-N 2 2 398.469 3.591 20 0 GHADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(O)cc3C(F)(F)F)C2)C1 ZINC001144386949 901977044 /nfs/dbraw/zinc/97/70/44/901977044.db2.gz PYWUGGLEOLAJEE-YLJYHZDGSA-N 2 2 398.469 3.591 20 0 GHADLP CN(C(=O)c1ccc2ncccc2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124866758 902130021 /nfs/dbraw/zinc/13/00/21/902130021.db2.gz GNRFACRBMFGREE-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccc2ncccc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124866758 902130025 /nfs/dbraw/zinc/13/00/25/902130025.db2.gz GNRFACRBMFGREE-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000577219278 902595226 /nfs/dbraw/zinc/59/52/26/902595226.db2.gz YZZNEMKWVSFQFS-BTYIYWSLSA-N 2 2 387.474 3.655 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000577219278 902595234 /nfs/dbraw/zinc/59/52/34/902595234.db2.gz YZZNEMKWVSFQFS-BTYIYWSLSA-N 2 2 387.474 3.655 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2c[nH]c3cc(Br)cnc23)C1 ZINC001144706003 902672343 /nfs/dbraw/zinc/67/23/43/902672343.db2.gz YNHRACPVXUAABR-OAHLLOKOSA-N 2 2 387.281 3.682 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(Br)cnc23)C1 ZINC001144706003 902672347 /nfs/dbraw/zinc/67/23/47/902672347.db2.gz YNHRACPVXUAABR-OAHLLOKOSA-N 2 2 387.281 3.682 20 0 GHADLP C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000128537580 902683031 /nfs/dbraw/zinc/68/30/31/902683031.db2.gz QWZUIUUJRRGRLA-KPLVRAHFSA-N 2 2 393.535 3.592 20 0 GHADLP C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000128537580 902683033 /nfs/dbraw/zinc/68/30/33/902683033.db2.gz QWZUIUUJRRGRLA-KPLVRAHFSA-N 2 2 393.535 3.592 20 0 GHADLP Cc1[nH+]ccn1CCCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000264191082 902905068 /nfs/dbraw/zinc/90/50/68/902905068.db2.gz OQKDLRPISDGHRB-CQSZACIVSA-N 2 2 388.516 3.716 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000577596934 902933878 /nfs/dbraw/zinc/93/38/78/902933878.db2.gz ZWNZBTDTBQVSPS-ZVDOUQERSA-N 2 2 382.552 3.806 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000577596934 902933884 /nfs/dbraw/zinc/93/38/84/902933884.db2.gz ZWNZBTDTBQVSPS-ZVDOUQERSA-N 2 2 382.552 3.806 20 0 GHADLP C[NH+](C)[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000600929979 903123153 /nfs/dbraw/zinc/12/31/53/903123153.db2.gz JSYHQRWVDJCVFI-NRFANRHFSA-N 2 2 385.939 3.677 20 0 GHADLP C[NH+](C)[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000600929979 903123156 /nfs/dbraw/zinc/12/31/56/903123156.db2.gz JSYHQRWVDJCVFI-NRFANRHFSA-N 2 2 385.939 3.677 20 0 GHADLP Cc1ccc([C@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)[NH+]2CCCC2)o1 ZINC000600985559 903186345 /nfs/dbraw/zinc/18/63/45/903186345.db2.gz ZEMXOEHHCCNSTD-AZUAARDMSA-N 2 2 389.927 3.797 20 0 GHADLP C[N@H+](CC1(Br)CC1)[C@H]1CCC[NH+](CC2(Br)CC2)CC1 ZINC000846833658 903224013 /nfs/dbraw/zinc/22/40/13/903224013.db2.gz DIXNVBODCNLFMV-ZDUSSCGKSA-N 2 2 394.195 3.628 20 0 GHADLP C[N@@H+](CC1(Br)CC1)[C@H]1CCC[NH+](CC2(Br)CC2)CC1 ZINC000846833658 903224020 /nfs/dbraw/zinc/22/40/20/903224020.db2.gz DIXNVBODCNLFMV-ZDUSSCGKSA-N 2 2 394.195 3.628 20 0 GHADLP C[NH+](CC1(Br)CC1)[C@H]1CCC[N@H+](CC2(Br)CC2)CC1 ZINC000846833658 903224024 /nfs/dbraw/zinc/22/40/24/903224024.db2.gz DIXNVBODCNLFMV-ZDUSSCGKSA-N 2 2 394.195 3.628 20 0 GHADLP C[NH+](CC1(Br)CC1)[C@H]1CCC[N@@H+](CC2(Br)CC2)CC1 ZINC000846833658 903224034 /nfs/dbraw/zinc/22/40/34/903224034.db2.gz DIXNVBODCNLFMV-ZDUSSCGKSA-N 2 2 394.195 3.628 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000601067171 903291301 /nfs/dbraw/zinc/29/13/01/903291301.db2.gz OAGGFBAATJCUPV-NJNPRVFISA-N 2 2 380.536 3.665 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000601067171 903291307 /nfs/dbraw/zinc/29/13/07/903291307.db2.gz OAGGFBAATJCUPV-NJNPRVFISA-N 2 2 380.536 3.665 20 0 GHADLP COc1cc(OC)c([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Cl ZINC000133102532 903345635 /nfs/dbraw/zinc/34/56/35/903345635.db2.gz NGDKOPHCHSZWNL-CABCVRRESA-N 2 2 382.932 3.509 20 0 GHADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000578472564 903877160 /nfs/dbraw/zinc/87/71/60/903877160.db2.gz FBIDODMQJRQPDY-LJQANCHMSA-N 2 2 377.492 3.710 20 0 GHADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000578472564 903877172 /nfs/dbraw/zinc/87/71/72/903877172.db2.gz FBIDODMQJRQPDY-LJQANCHMSA-N 2 2 377.492 3.710 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCN1C(=O)OC(C)(C)C ZINC000775047848 914759975 /nfs/dbraw/zinc/75/99/75/914759975.db2.gz NMIOSXZHQCKXCL-LSDHHAIUSA-N 2 2 376.526 3.811 20 0 GHADLP CN(C)C(=O)C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000579028314 904301358 /nfs/dbraw/zinc/30/13/58/904301358.db2.gz DLULTZVQMHSLIN-QHCPKHFHSA-N 2 2 397.538 3.642 20 0 GHADLP Fc1cc2c(cc1F)C[C@H](N(c1cccc[nH+]1)[C@H]1COC3(C1)CC[NH2+]CC3)CC2 ZINC001171483506 904727411 /nfs/dbraw/zinc/72/74/11/904727411.db2.gz MXMSGODNSUDUGW-RTBURBONSA-N 2 2 399.485 3.635 20 0 GHADLP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)CC1(C)C ZINC001171638040 904926369 /nfs/dbraw/zinc/92/63/69/904926369.db2.gz PXMOXAKWBZJZML-DEOSSOPVSA-N 2 2 398.595 3.548 20 0 GHADLP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)CC1(C)C ZINC001171638040 904926376 /nfs/dbraw/zinc/92/63/76/904926376.db2.gz PXMOXAKWBZJZML-DEOSSOPVSA-N 2 2 398.595 3.548 20 0 GHADLP COc1ccccc1C[NH+]1CCC(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171725399 904951021 /nfs/dbraw/zinc/95/10/21/904951021.db2.gz KWUORXGGFAMODD-RDPSFJRHSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccccc1C[NH+]1CCC(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171725399 904951033 /nfs/dbraw/zinc/95/10/33/904951033.db2.gz KWUORXGGFAMODD-RDPSFJRHSA-N 2 2 393.575 3.912 20 0 GHADLP CN(CCCC[NH+]1CCCCC1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890242598 904952697 /nfs/dbraw/zinc/95/26/97/904952697.db2.gz REAUZMJRRCKJRK-NRFANRHFSA-N 2 2 383.540 3.532 20 0 GHADLP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890242920 904954384 /nfs/dbraw/zinc/95/43/84/904954384.db2.gz ZOQXYGAWUFFIRT-JOCHJYFZSA-N 2 2 397.567 3.634 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+]([C@H]1Cc3cccc(F)c3C1)C2 ZINC001171801950 905063748 /nfs/dbraw/zinc/06/37/48/905063748.db2.gz UMYNHEFUAYHJDG-FQEVSTJZSA-N 2 2 391.490 3.971 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+]([C@H]1Cc3cccc(F)c3C1)C2 ZINC001171801950 905063762 /nfs/dbraw/zinc/06/37/62/905063762.db2.gz UMYNHEFUAYHJDG-FQEVSTJZSA-N 2 2 391.490 3.971 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+]([C@H]1Cc3cccc(F)c3C1)C2 ZINC001171801950 905063779 /nfs/dbraw/zinc/06/37/79/905063779.db2.gz UMYNHEFUAYHJDG-FQEVSTJZSA-N 2 2 391.490 3.971 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+]([C@H]1Cc3cccc(F)c3C1)C2 ZINC001171801950 905063796 /nfs/dbraw/zinc/06/37/96/905063796.db2.gz UMYNHEFUAYHJDG-FQEVSTJZSA-N 2 2 391.490 3.971 20 0 GHADLP Cc1[nH+]cn([C@H]2CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C2)c1CC[NH3+] ZINC001172060391 905259226 /nfs/dbraw/zinc/25/92/26/905259226.db2.gz QBVVASZNQUUMQE-KRWDZBQOSA-N 2 2 376.545 3.968 20 0 GHADLP O=C(C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCc2ccccc21 ZINC001172063485 905328244 /nfs/dbraw/zinc/32/82/44/905328244.db2.gz ZSGZQSJQAKZSGO-WBDAEOGXSA-N 2 2 389.543 3.751 20 0 GHADLP O=C(C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCc2ccccc21 ZINC001172063485 905328258 /nfs/dbraw/zinc/32/82/58/905328258.db2.gz ZSGZQSJQAKZSGO-WBDAEOGXSA-N 2 2 389.543 3.751 20 0 GHADLP COc1ccc([C@H]([NH3+])[C@@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)c2ccc(OC)cc2)cc1 ZINC001172235147 905426629 /nfs/dbraw/zinc/42/66/29/905426629.db2.gz VRLBFCMGRNDAPK-AMUXTULTSA-N 2 2 380.488 3.521 20 0 GHADLP CC(C)COCC[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001172467571 905578707 /nfs/dbraw/zinc/57/87/07/905578707.db2.gz LUJWGPAOENHYMQ-QUCCMNQESA-N 2 2 397.604 3.501 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)Cc3cccc(Cl)c3)CC2)CC1 ZINC000176593378 905882939 /nfs/dbraw/zinc/88/29/39/905882939.db2.gz YSEPMRLLWKBTPC-UHFFFAOYSA-N 2 2 391.987 3.584 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177182313 906056716 /nfs/dbraw/zinc/05/67/16/906056716.db2.gz KRXDGSHDEKVPGR-IRXDYDNUSA-N 2 2 398.532 3.534 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000628424348 906119839 /nfs/dbraw/zinc/11/98/39/906119839.db2.gz GBJDULJHLAFGCH-HSZRJFAPSA-N 2 2 388.471 3.576 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000628424348 906119866 /nfs/dbraw/zinc/11/98/66/906119866.db2.gz GBJDULJHLAFGCH-HSZRJFAPSA-N 2 2 388.471 3.576 20 0 GHADLP CCc1ccc(C[C@@H](C)N(c2cccc[nH+]2)[C@@H]2COC3(C2)CC[NH2+]CC3)cc1 ZINC001173243312 906330730 /nfs/dbraw/zinc/33/07/30/906330730.db2.gz AKTYGFARZTWMGV-KNQAVFIVSA-N 2 2 379.548 3.993 20 0 GHADLP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@@H+]1[C@@H]1CCCC2(CCCCC2)C1 ZINC001173346552 906386256 /nfs/dbraw/zinc/38/62/56/906386256.db2.gz YYIQBAINNQQTIL-NHCUHLMSSA-N 2 2 399.627 3.900 20 0 GHADLP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@H+]1[C@@H]1CCCC2(CCCCC2)C1 ZINC001173346552 906386267 /nfs/dbraw/zinc/38/62/67/906386267.db2.gz YYIQBAINNQQTIL-NHCUHLMSSA-N 2 2 399.627 3.900 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ncc(Br)s1 ZINC000179206713 906448132 /nfs/dbraw/zinc/44/81/32/906448132.db2.gz PSZRXBTXQHLILF-LBPRGKRZSA-N 2 2 384.343 3.697 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001173663883 906601736 /nfs/dbraw/zinc/60/17/36/906601736.db2.gz JCWKWQXBNPFAEG-GHTZIAJQSA-N 2 2 376.516 3.844 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001173663883 906601744 /nfs/dbraw/zinc/60/17/44/906601744.db2.gz JCWKWQXBNPFAEG-GHTZIAJQSA-N 2 2 376.516 3.844 20 0 GHADLP Ic1cc(Nc2cc[nH+]c3ccccc23)cn2cc[nH+]c12 ZINC001174038689 906797834 /nfs/dbraw/zinc/79/78/34/906797834.db2.gz XBLYZPFXBQYLKL-UHFFFAOYSA-N 2 2 386.196 3.653 20 0 GHADLP c1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)ccc1C[NH+]1CCCC1 ZINC001174432275 907019858 /nfs/dbraw/zinc/01/98/58/907019858.db2.gz LZNAMBHANRGGNL-UHFFFAOYSA-N 2 2 381.520 3.737 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000181589666 907033424 /nfs/dbraw/zinc/03/34/24/907033424.db2.gz QIYPOEGNZNFLQS-PMACEKPBSA-N 3 2 396.579 3.898 20 0 GHADLP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc(OC)c1OC ZINC000181593270 907034006 /nfs/dbraw/zinc/03/40/06/907034006.db2.gz AXPADJIIWPIQIN-IRXDYDNUSA-N 2 2 399.535 3.984 20 0 GHADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C12CCC2 ZINC001174572738 907089762 /nfs/dbraw/zinc/08/97/62/907089762.db2.gz AUZQBQMOJBCNFS-FCHUYYIVSA-N 2 2 385.596 3.915 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000366047071 921294723 /nfs/dbraw/zinc/29/47/23/921294723.db2.gz TYHWLZQFWHIBRY-ZFGGDYGUSA-N 2 2 378.564 3.798 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000366047071 921294724 /nfs/dbraw/zinc/29/47/24/921294724.db2.gz TYHWLZQFWHIBRY-ZFGGDYGUSA-N 2 2 378.564 3.798 20 0 GHADLP C[NH+]1CCN(c2ccc(Nc3cc(Br)c4[nH+]ccn4c3)cc2)CC1 ZINC001174816067 907214537 /nfs/dbraw/zinc/21/45/37/907214537.db2.gz NWJSISRHFXKTKV-UHFFFAOYSA-N 2 2 386.297 3.592 20 0 GHADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192104139 907415436 /nfs/dbraw/zinc/41/54/36/907415436.db2.gz BWBNPDCOWVNUEJ-FQEVSTJZSA-N 2 2 397.519 3.660 20 0 GHADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192104139 907415448 /nfs/dbraw/zinc/41/54/48/907415448.db2.gz BWBNPDCOWVNUEJ-FQEVSTJZSA-N 2 2 397.519 3.660 20 0 GHADLP O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000299440728 921330831 /nfs/dbraw/zinc/33/08/31/921330831.db2.gz WWVORHNRFBKEBZ-UHFFFAOYSA-N 2 2 394.544 3.635 20 0 GHADLP CC1([NH+]2CCCC2)CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000631484053 907728374 /nfs/dbraw/zinc/72/83/74/907728374.db2.gz RVSDPGACMZQHIU-UHFFFAOYSA-N 2 2 391.585 3.611 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCc4ncccc43)CC2)cc1 ZINC000631631006 907781662 /nfs/dbraw/zinc/78/16/62/907781662.db2.gz GXEQQWRKHFWEME-QHCPKHFHSA-N 2 2 378.520 3.672 20 0 GHADLP CC[C@H](c1ccccc1)N(CC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000299481067 921364034 /nfs/dbraw/zinc/36/40/34/921364034.db2.gz DNJSKLUBGFHEHS-JOCHJYFZSA-N 2 2 386.584 3.728 20 0 GHADLP CC(C)c1ccc2c(c1)[C@H](NC(=O)NC1CC[NH+](C3CC[NH+](C)CC3)CC1)CC2 ZINC000186556565 907941940 /nfs/dbraw/zinc/94/19/40/907941940.db2.gz WZOLMXAUINJUQV-HSZRJFAPSA-N 2 2 398.595 3.655 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001177046423 908381641 /nfs/dbraw/zinc/38/16/41/908381641.db2.gz RKBDUXCFDAUVHT-NHCUHLMSSA-N 2 2 375.532 3.541 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001177046423 908381655 /nfs/dbraw/zinc/38/16/55/908381655.db2.gz RKBDUXCFDAUVHT-NHCUHLMSSA-N 2 2 375.532 3.541 20 0 GHADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(Br)c3cccnc23)C[C@H](C)O1 ZINC001177166314 908415294 /nfs/dbraw/zinc/41/52/94/908415294.db2.gz OFUTZFPVCTXFEO-GJZGRUSLSA-N 2 2 392.341 3.586 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)CC1 ZINC000192838870 908828521 /nfs/dbraw/zinc/82/85/21/908828521.db2.gz MGWHJBJNAODACU-WIYYLYMNSA-N 2 2 379.976 3.518 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)CC1 ZINC000192838870 908828534 /nfs/dbraw/zinc/82/85/34/908828534.db2.gz MGWHJBJNAODACU-WIYYLYMNSA-N 2 2 379.976 3.518 20 0 GHADLP O=C(CCc1[nH]cc[nH+]1)N(Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001177994959 908865861 /nfs/dbraw/zinc/86/58/61/908865861.db2.gz NQERSZDWORIRIP-QFIPXVFZSA-N 2 2 388.515 3.646 20 0 GHADLP O=C(CCc1[nH]cc[nH+]1)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001177994959 908865881 /nfs/dbraw/zinc/86/58/81/908865881.db2.gz NQERSZDWORIRIP-QFIPXVFZSA-N 2 2 388.515 3.646 20 0 GHADLP C[N@@H+]1Cc2c(NC(=O)[C@H]3CCc4[nH+]ccn4C3)cccc2[C@@H](c2ccccc2)C1 ZINC001178118220 908888916 /nfs/dbraw/zinc/88/89/16/908888916.db2.gz RKYDMPKYUYIDOS-AZUAARDMSA-N 2 2 386.499 3.662 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1cccc(F)c1F ZINC001178238857 908972810 /nfs/dbraw/zinc/97/28/10/908972810.db2.gz UBLBKGVBAAQEQA-INIZCTEOSA-N 2 2 376.447 3.527 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000635425900 909244328 /nfs/dbraw/zinc/24/43/28/909244328.db2.gz RMYXUYOVIMGHMW-NUJGCVRESA-N 2 2 394.441 3.731 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000635425900 909244340 /nfs/dbraw/zinc/24/43/40/909244340.db2.gz RMYXUYOVIMGHMW-NUJGCVRESA-N 2 2 394.441 3.731 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000267508770 909535914 /nfs/dbraw/zinc/53/59/14/909535914.db2.gz LFZNKABAUWKTGB-AUSIDOKSSA-N 2 2 388.515 3.714 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000267508770 909535922 /nfs/dbraw/zinc/53/59/22/909535922.db2.gz LFZNKABAUWKTGB-AUSIDOKSSA-N 2 2 388.515 3.714 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(N2CCOCC2)c1 ZINC000268781581 910012292 /nfs/dbraw/zinc/01/22/92/910012292.db2.gz UBLKVHRJEORJDQ-LJQANCHMSA-N 2 2 376.504 3.619 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(Cl)s1 ZINC000268831064 910037848 /nfs/dbraw/zinc/03/78/48/910037848.db2.gz RBEJZYDZKNTUJM-AWEZNQCLSA-N 2 2 377.941 3.640 20 0 GHADLP Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)s1 ZINC001180262439 910052950 /nfs/dbraw/zinc/05/29/50/910052950.db2.gz VHKZTIHLGMRNEM-QGZVFWFLSA-N 2 2 389.565 3.664 20 0 GHADLP Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)s1 ZINC001180262439 910052968 /nfs/dbraw/zinc/05/29/68/910052968.db2.gz VHKZTIHLGMRNEM-QGZVFWFLSA-N 2 2 389.565 3.664 20 0 GHADLP CC(C)[N@@H+]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000270236245 910490094 /nfs/dbraw/zinc/49/00/94/910490094.db2.gz IZTITSMGQBIYTQ-UHFFFAOYSA-N 2 2 379.508 3.550 20 0 GHADLP CC(C)[N@H+]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000270236245 910490100 /nfs/dbraw/zinc/49/01/00/910490100.db2.gz IZTITSMGQBIYTQ-UHFFFAOYSA-N 2 2 379.508 3.550 20 0 GHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639546433 910501133 /nfs/dbraw/zinc/50/11/33/910501133.db2.gz OKBSAUWCLPJXHR-UHFFFAOYSA-N 2 2 379.426 3.902 20 0 GHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639546433 910501143 /nfs/dbraw/zinc/50/11/43/910501143.db2.gz OKBSAUWCLPJXHR-UHFFFAOYSA-N 2 2 379.426 3.902 20 0 GHADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270396182 910548933 /nfs/dbraw/zinc/54/89/33/910548933.db2.gz YQSBDQNBFSKHJL-SFHVURJKSA-N 2 2 393.535 3.797 20 0 GHADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270396182 910548942 /nfs/dbraw/zinc/54/89/42/910548942.db2.gz YQSBDQNBFSKHJL-SFHVURJKSA-N 2 2 393.535 3.797 20 0 GHADLP Cc1cccc(F)c1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000274105375 911224646 /nfs/dbraw/zinc/22/46/46/911224646.db2.gz KQZYKRRSYPHSTM-PMACEKPBSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1cccc(F)c1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000274105375 911224650 /nfs/dbraw/zinc/22/46/50/911224650.db2.gz KQZYKRRSYPHSTM-PMACEKPBSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1noc(C2CCC([NH2+]C3CC([NH+]4CCC(C(F)(F)F)CC4)C3)CC2)n1 ZINC000366562273 921683832 /nfs/dbraw/zinc/68/38/32/921683832.db2.gz VWSLOPDUOMLFBT-UHFFFAOYSA-N 2 2 386.462 3.799 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCCC(=O)OC(C)(C)C)CC2)cc1 ZINC000774478597 911783953 /nfs/dbraw/zinc/78/39/53/911783953.db2.gz MUGAGFPHMYYPCS-UHFFFAOYSA-N 2 2 375.557 3.823 20 0 GHADLP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000291041693 914934673 /nfs/dbraw/zinc/93/46/73/914934673.db2.gz HGHMKIFQKHBZLA-NHCUHLMSSA-N 2 2 395.551 3.601 20 0 GHADLP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000291041693 914934691 /nfs/dbraw/zinc/93/46/91/914934691.db2.gz HGHMKIFQKHBZLA-NHCUHLMSSA-N 2 2 395.551 3.601 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)NCc1cccs1 ZINC000647241413 915101598 /nfs/dbraw/zinc/10/15/98/915101598.db2.gz NIINHWMZYYQVER-CUWPLCDZSA-N 2 2 385.577 3.786 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)NCc1cccs1 ZINC000647241413 915101607 /nfs/dbraw/zinc/10/16/07/915101607.db2.gz NIINHWMZYYQVER-CUWPLCDZSA-N 2 2 385.577 3.786 20 0 GHADLP C[N@@H+]1C[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@H](c2ccccc2)C1 ZINC000647249363 915107773 /nfs/dbraw/zinc/10/77/73/915107773.db2.gz VFSRNARVYVTNKY-RDGATRHJSA-N 3 2 395.566 3.768 20 0 GHADLP C[N@H+]1C[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@H](c2ccccc2)C1 ZINC000647249363 915107786 /nfs/dbraw/zinc/10/77/86/915107786.db2.gz VFSRNARVYVTNKY-RDGATRHJSA-N 3 2 395.566 3.768 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647288083 915136520 /nfs/dbraw/zinc/13/65/20/915136520.db2.gz JGPOOUBQJTWGMQ-ZWKOTPCHSA-N 2 2 399.558 3.912 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCCC2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000647288199 915136818 /nfs/dbraw/zinc/13/68/18/915136818.db2.gz RYTQKVXGTQAPEM-SJORKVTESA-N 2 2 385.531 3.522 20 0 GHADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000647834555 915405442 /nfs/dbraw/zinc/40/54/42/915405442.db2.gz WXPVHZWTAVHSOH-OAQYLSRUSA-N 2 2 394.906 3.807 20 0 GHADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000647834555 915405447 /nfs/dbraw/zinc/40/54/47/915405447.db2.gz WXPVHZWTAVHSOH-OAQYLSRUSA-N 2 2 394.906 3.807 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccc(Cl)c(Cl)c1 ZINC000647899319 915430646 /nfs/dbraw/zinc/43/06/46/915430646.db2.gz GLCSWABLHOGUGW-JCKWVBRZSA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccc(Cl)c(Cl)c1 ZINC000647899319 915430651 /nfs/dbraw/zinc/43/06/51/915430651.db2.gz GLCSWABLHOGUGW-JCKWVBRZSA-N 2 2 384.351 3.635 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](CC)C3)cs2)cc1OC ZINC000647940122 915444125 /nfs/dbraw/zinc/44/41/25/915444125.db2.gz NDMBPWYFPPVFOP-YOEHRIQHSA-N 2 2 375.538 3.777 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@H]([NH3+])[C@@H](CC)C3)cs2)cc1OC ZINC000647940122 915444130 /nfs/dbraw/zinc/44/41/30/915444130.db2.gz NDMBPWYFPPVFOP-YOEHRIQHSA-N 2 2 375.538 3.777 20 0 GHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC000648892007 915928350 /nfs/dbraw/zinc/92/83/50/915928350.db2.gz JLTAZHCVQNGKEF-RTBURBONSA-N 2 2 398.551 3.528 20 0 GHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC000648892007 915928360 /nfs/dbraw/zinc/92/83/60/915928360.db2.gz JLTAZHCVQNGKEF-RTBURBONSA-N 2 2 398.551 3.528 20 0 GHADLP Cc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc(N2CCCC2)n1 ZINC000293877074 916442341 /nfs/dbraw/zinc/44/23/41/916442341.db2.gz YLVKAWSTYLFYMT-UADZTWIMSA-N 2 2 391.563 3.670 20 0 GHADLP Cc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc(N2CCCC2)n1 ZINC000293877074 916442346 /nfs/dbraw/zinc/44/23/46/916442346.db2.gz YLVKAWSTYLFYMT-UADZTWIMSA-N 2 2 391.563 3.670 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)CCCC1)c1ccccc1 ZINC000293936319 916480736 /nfs/dbraw/zinc/48/07/36/916480736.db2.gz YGZOGFUVHVJFAN-LWEYNCJUSA-N 2 2 392.609 3.843 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc4c(c3)CCCCC4)CC2)CC1 ZINC000650425397 916974398 /nfs/dbraw/zinc/97/43/98/916974398.db2.gz FFWCTBNZBLVYAA-UHFFFAOYSA-N 2 2 398.595 3.979 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc4c(c3)CCCCC4)CC2)CC1 ZINC000650425397 916974410 /nfs/dbraw/zinc/97/44/10/916974410.db2.gz FFWCTBNZBLVYAA-UHFFFAOYSA-N 2 2 398.595 3.979 20 0 GHADLP Cc1c(O)ccc2c(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc(=O)oc12 ZINC000800404742 920036329 /nfs/dbraw/zinc/03/63/29/920036329.db2.gz RURMPCZSQZRTKP-INIZCTEOSA-N 2 2 393.487 3.719 20 0 GHADLP Cc1c(O)ccc2c(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc(=O)oc12 ZINC000800404742 920036344 /nfs/dbraw/zinc/03/63/44/920036344.db2.gz RURMPCZSQZRTKP-INIZCTEOSA-N 2 2 393.487 3.719 20 0 GHADLP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000298520548 920625276 /nfs/dbraw/zinc/62/52/76/920625276.db2.gz XUFRIAMTNZCZJU-LJQANCHMSA-N 2 2 380.517 3.560 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365384347 920726756 /nfs/dbraw/zinc/72/67/56/920726756.db2.gz YKEIOUUCYVGXLD-UHFFFAOYSA-N 2 2 399.539 3.604 20 0 GHADLP O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000365586225 920976086 /nfs/dbraw/zinc/97/60/86/920976086.db2.gz IZUBLOMRKDBKSE-UHFFFAOYSA-N 2 2 380.536 3.706 20 0 GHADLP Cc1ccc(-c2csc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)n2)cc1 ZINC000367545097 922185667 /nfs/dbraw/zinc/18/56/67/922185667.db2.gz SIRVLRFAMOVOOE-GHTZIAJQSA-N 2 2 384.593 3.576 20 0 GHADLP Cc1ccc(-c2csc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)n2)cc1 ZINC000367545097 922185674 /nfs/dbraw/zinc/18/56/74/922185674.db2.gz SIRVLRFAMOVOOE-GHTZIAJQSA-N 2 2 384.593 3.576 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(=O)[nH]n1 ZINC000367592156 922218094 /nfs/dbraw/zinc/21/80/94/922218094.db2.gz BIBLXZJGZYMSGH-RFUYNDQBSA-N 2 2 394.441 3.935 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(=O)[nH]n1 ZINC000367592156 922218114 /nfs/dbraw/zinc/21/81/14/922218114.db2.gz BIBLXZJGZYMSGH-RFUYNDQBSA-N 2 2 394.441 3.935 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902749244 922461954 /nfs/dbraw/zinc/46/19/54/922461954.db2.gz RFYUSEIYVITWNV-QRVBRYPASA-N 2 2 391.519 3.732 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(C(F)(F)F)cn1 ZINC000902756256 922469170 /nfs/dbraw/zinc/46/91/70/922469170.db2.gz DKDHEKNWKIOYCE-MRXNPFEDSA-N 2 2 392.469 3.699 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(C(F)(F)F)cn1 ZINC000902756256 922469192 /nfs/dbraw/zinc/46/91/92/922469192.db2.gz DKDHEKNWKIOYCE-MRXNPFEDSA-N 2 2 392.469 3.699 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000369565165 923432347 /nfs/dbraw/zinc/43/23/47/923432347.db2.gz MFLRYZANXXZGDO-LJQANCHMSA-N 2 2 382.552 3.796 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000369565165 923432353 /nfs/dbraw/zinc/43/23/53/923432353.db2.gz MFLRYZANXXZGDO-LJQANCHMSA-N 2 2 382.552 3.796 20 0 GHADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000748993411 923977363 /nfs/dbraw/zinc/97/73/63/923977363.db2.gz CTQIINLSZREAAE-NHCUHLMSSA-N 2 2 376.903 3.957 20 0 GHADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000748993411 923977373 /nfs/dbraw/zinc/97/73/73/923977373.db2.gz CTQIINLSZREAAE-NHCUHLMSSA-N 2 2 376.903 3.957 20 0 GHADLP CCCOc1c(Br)cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000370731616 924279133 /nfs/dbraw/zinc/27/91/33/924279133.db2.gz YMEBMPNCFMLCHZ-ZDUSSCGKSA-N 2 2 394.313 3.617 20 0 GHADLP CN(C(=O)c1cc2occc2s1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677289428 924314396 /nfs/dbraw/zinc/31/43/96/924314396.db2.gz AKXUKDIEAVCWNH-SJORKVTESA-N 2 2 389.565 3.904 20 0 GHADLP CN(C(=O)c1cc2occc2s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677289428 924314404 /nfs/dbraw/zinc/31/44/04/924314404.db2.gz AKXUKDIEAVCWNH-SJORKVTESA-N 2 2 389.565 3.904 20 0 GHADLP C[C@@H](CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Cc1ccc(Cl)cc1 ZINC000678480880 924792948 /nfs/dbraw/zinc/79/29/48/924792948.db2.gz RUMXKQBUSOVZAD-UTKZUKDTSA-N 2 2 391.987 3.536 20 0 GHADLP C[C@@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Cc1ccc(Cl)cc1 ZINC000678480880 924792959 /nfs/dbraw/zinc/79/29/59/924792959.db2.gz RUMXKQBUSOVZAD-UTKZUKDTSA-N 2 2 391.987 3.536 20 0 GHADLP Cc1sc2nc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)nc(N)c2c1C ZINC000678514227 924805862 /nfs/dbraw/zinc/80/58/62/924805862.db2.gz CKAMZPOVNDCOEW-UHFFFAOYSA-N 2 2 387.597 3.978 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000678791323 924924395 /nfs/dbraw/zinc/92/43/95/924924395.db2.gz SSNJIMBFYCCCJI-YADARESESA-N 2 2 375.516 3.892 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000678791323 924924399 /nfs/dbraw/zinc/92/43/99/924924399.db2.gz SSNJIMBFYCCCJI-YADARESESA-N 2 2 375.516 3.892 20 0 GHADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000678931288 924976530 /nfs/dbraw/zinc/97/65/30/924976530.db2.gz YSYKZFQOVOEFHW-QFIPXVFZSA-N 2 2 382.552 3.729 20 0 GHADLP Cc1nc(C[NH+]2CCC(c3nc(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)no3)CC2)cs1 ZINC000371940401 925009753 /nfs/dbraw/zinc/00/97/53/925009753.db2.gz ZMOQRZCBYPTGDC-ZNXRZULTSA-N 2 2 387.553 3.554 20 0 GHADLP Cc1nc(C[NH+]2CCC(c3nc(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)no3)CC2)cs1 ZINC000371940401 925009767 /nfs/dbraw/zinc/00/97/67/925009767.db2.gz ZMOQRZCBYPTGDC-ZNXRZULTSA-N 2 2 387.553 3.554 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(C)C ZINC000410065807 925293958 /nfs/dbraw/zinc/29/39/58/925293958.db2.gz KXEDRQZJBIWCEI-IBGZPJMESA-N 2 2 389.588 3.617 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000680215973 925396696 /nfs/dbraw/zinc/39/66/96/925396696.db2.gz SJMIESUGIJGCJD-CEWLAPEOSA-N 2 2 389.503 3.757 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000680215973 925396705 /nfs/dbraw/zinc/39/67/05/925396705.db2.gz SJMIESUGIJGCJD-CEWLAPEOSA-N 2 2 389.503 3.757 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000372485102 925471223 /nfs/dbraw/zinc/47/12/23/925471223.db2.gz ASQGKVCXNYLCDF-UXHICEINSA-N 2 2 392.975 3.601 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000372485102 925471224 /nfs/dbraw/zinc/47/12/24/925471224.db2.gz ASQGKVCXNYLCDF-UXHICEINSA-N 2 2 392.975 3.601 20 0 GHADLP O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1)C1CCCC1 ZINC000372556067 925533793 /nfs/dbraw/zinc/53/37/93/925533793.db2.gz ILIDLRDQFCTVAM-IBGZPJMESA-N 2 2 387.572 3.594 20 0 GHADLP O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)C1CCCC1 ZINC000372556067 925533798 /nfs/dbraw/zinc/53/37/98/925533798.db2.gz ILIDLRDQFCTVAM-IBGZPJMESA-N 2 2 387.572 3.594 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000373104575 925863334 /nfs/dbraw/zinc/86/33/34/925863334.db2.gz PRKBHHSUIUJDQO-SFHVURJKSA-N 2 2 399.539 3.552 20 0 GHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000411311741 926297297 /nfs/dbraw/zinc/29/72/97/926297297.db2.gz RVAPUMUCMIEFEF-PKTZIBPZSA-N 2 2 391.559 3.841 20 0 GHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000411311741 926297305 /nfs/dbraw/zinc/29/73/05/926297305.db2.gz RVAPUMUCMIEFEF-PKTZIBPZSA-N 2 2 391.559 3.841 20 0 GHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000411311741 926297312 /nfs/dbraw/zinc/29/73/12/926297312.db2.gz RVAPUMUCMIEFEF-PKTZIBPZSA-N 2 2 391.559 3.841 20 0 GHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000411311741 926297321 /nfs/dbraw/zinc/29/73/21/926297321.db2.gz RVAPUMUCMIEFEF-PKTZIBPZSA-N 2 2 391.559 3.841 20 0 GHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411357801 926336000 /nfs/dbraw/zinc/33/60/00/926336000.db2.gz BBKCELYYHRNEOP-UHFFFAOYSA-N 2 2 388.515 3.847 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)c1C ZINC000411747134 926708163 /nfs/dbraw/zinc/70/81/63/926708163.db2.gz KQYBYNKMKLBUGP-UHFFFAOYSA-N 2 2 381.520 3.965 20 0 GHADLP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374308087 927005684 /nfs/dbraw/zinc/00/56/84/927005684.db2.gz VHELQNDFGKPXBR-RTBURBONSA-N 2 2 384.568 3.580 20 0 GHADLP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374308087 927005699 /nfs/dbraw/zinc/00/56/99/927005699.db2.gz VHELQNDFGKPXBR-RTBURBONSA-N 2 2 384.568 3.580 20 0 GHADLP Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(N(C)C)[nH+]1 ZINC000750401747 927604632 /nfs/dbraw/zinc/60/46/32/927604632.db2.gz APELJAXGAKBBKO-CRAIPNDOSA-N 2 2 387.553 3.722 20 0 GHADLP Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(N(C)C)[nH+]1 ZINC000750401747 927604639 /nfs/dbraw/zinc/60/46/39/927604639.db2.gz APELJAXGAKBBKO-CRAIPNDOSA-N 2 2 387.553 3.722 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c1 ZINC000467092558 928690951 /nfs/dbraw/zinc/69/09/51/928690951.db2.gz CWYBIRLIAIMKSD-UHFFFAOYSA-N 2 2 387.487 3.949 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C2CC2)cc1 ZINC000467145380 928754388 /nfs/dbraw/zinc/75/43/88/928754388.db2.gz ZHGFCCUFUNDUMM-UHFFFAOYSA-N 2 2 380.536 3.904 20 0 GHADLP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc(C(C)=O)cc2)CC1)CC(C)C ZINC000544118271 928828820 /nfs/dbraw/zinc/82/88/20/928828820.db2.gz XLADGFZAFOPZHI-UHFFFAOYSA-N 2 2 387.568 3.908 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc(C(C)=O)cc2)CC1)CC(C)C ZINC000544118271 928828832 /nfs/dbraw/zinc/82/88/32/928828832.db2.gz XLADGFZAFOPZHI-UHFFFAOYSA-N 2 2 387.568 3.908 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1nc(C(F)(F)F)cs1 ZINC000467636180 929262058 /nfs/dbraw/zinc/26/20/58/929262058.db2.gz OSWKKRNJJVHTLV-IUODEOHRSA-N 2 2 385.455 3.579 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1nc(C(F)(F)F)cs1 ZINC000467636180 929262069 /nfs/dbraw/zinc/26/20/69/929262069.db2.gz OSWKKRNJJVHTLV-IUODEOHRSA-N 2 2 385.455 3.579 20 0 GHADLP Cc1ccc([C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C2CCCC2)o1 ZINC000544579517 929305557 /nfs/dbraw/zinc/30/55/57/929305557.db2.gz UUUZTNQZBJRBSB-HSZRJFAPSA-N 2 2 395.547 3.997 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)C1 ZINC000467737822 929356980 /nfs/dbraw/zinc/35/69/80/929356980.db2.gz OHNIKZJNZPVELJ-COPCDDAFSA-N 2 2 394.003 3.669 20 0 GHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)C1 ZINC000467737822 929356989 /nfs/dbraw/zinc/35/69/89/929356989.db2.gz OHNIKZJNZPVELJ-COPCDDAFSA-N 2 2 394.003 3.669 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[NH+](C)CCO2)C1 ZINC000467737822 929356997 /nfs/dbraw/zinc/35/69/97/929356997.db2.gz OHNIKZJNZPVELJ-COPCDDAFSA-N 2 2 394.003 3.669 20 0 GHADLP CC(C)C[N@H+]1CCC[C@H](CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[NH+](C)CCO2)C1 ZINC000467737822 929357005 /nfs/dbraw/zinc/35/70/05/929357005.db2.gz OHNIKZJNZPVELJ-COPCDDAFSA-N 2 2 394.003 3.669 20 0 GHADLP CC(C)C[NH+]1CCC[C@H](CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000467737822 929357014 /nfs/dbraw/zinc/35/70/14/929357014.db2.gz OHNIKZJNZPVELJ-COPCDDAFSA-N 2 2 394.003 3.669 20 0 GHADLP CC(C)C[NH+]1CCC[C@H](CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000467737822 929357029 /nfs/dbraw/zinc/35/70/29/929357029.db2.gz OHNIKZJNZPVELJ-COPCDDAFSA-N 2 2 394.003 3.669 20 0 GHADLP CC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757103752 929641225 /nfs/dbraw/zinc/64/12/25/929641225.db2.gz DKMDAZHTIOIAKU-AZUAARDMSA-N 2 2 384.524 3.998 20 0 GHADLP CC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757103752 929641233 /nfs/dbraw/zinc/64/12/33/929641233.db2.gz DKMDAZHTIOIAKU-AZUAARDMSA-N 2 2 384.524 3.998 20 0 GHADLP c1ccc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CCOCC2)cc1 ZINC000782756777 931326807 /nfs/dbraw/zinc/32/68/07/931326807.db2.gz GZBFACDGFMJETB-XMMPIXPASA-N 2 2 380.532 3.776 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2cn3c(n2)CCCC3)CC1 ZINC000924962340 931595779 /nfs/dbraw/zinc/59/57/79/931595779.db2.gz SFNPAHHPQKAPMB-ROUUACIJSA-N 2 2 399.558 3.912 20 0 GHADLP C[C@@H](C[NH2+][C@H](c1cccnc1)c1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000924967415 931597934 /nfs/dbraw/zinc/59/79/34/931597934.db2.gz XPVMWCDYUSVTSC-MGPUTAFESA-N 2 2 393.362 3.703 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](Cc2ccccc2)Cc2cccnc2)CC1 ZINC000925002000 931608638 /nfs/dbraw/zinc/60/86/38/931608638.db2.gz PYUIZYCHXYLGIO-JOCHJYFZSA-N 2 2 381.564 3.714 20 0 GHADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+](Cc2ccccc2)[C@@H]2CCCC2(C)C)C1 ZINC000783992747 931743120 /nfs/dbraw/zinc/74/31/20/931743120.db2.gz ZVINQPSEXOOSCB-PZJWPPBQSA-N 2 2 380.536 3.774 20 0 GHADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+](Cc2ccccc2)[C@@H]2CCCC2(C)C)C1 ZINC000783992747 931743127 /nfs/dbraw/zinc/74/31/27/931743127.db2.gz ZVINQPSEXOOSCB-PZJWPPBQSA-N 2 2 380.536 3.774 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC000784508518 931918991 /nfs/dbraw/zinc/91/89/91/931918991.db2.gz CTGJESLJLLCNLN-SESVDKBCSA-N 2 2 396.535 3.998 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC000784508518 931918992 /nfs/dbraw/zinc/91/89/92/931918992.db2.gz CTGJESLJLLCNLN-SESVDKBCSA-N 2 2 396.535 3.998 20 0 GHADLP CC[C@H]1C[C@H](C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCO1 ZINC000558422026 931995262 /nfs/dbraw/zinc/99/52/62/931995262.db2.gz HCJULSDFMBSSAI-CVEARBPZSA-N 2 2 396.329 3.946 20 0 GHADLP CC[C@H]1C[C@H](C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCO1 ZINC000558422026 931995267 /nfs/dbraw/zinc/99/52/67/931995267.db2.gz HCJULSDFMBSSAI-CVEARBPZSA-N 2 2 396.329 3.946 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)[C@H](C2CCCC2)C1 ZINC000926230508 932091172 /nfs/dbraw/zinc/09/11/72/932091172.db2.gz UGAKHFLSUWMTTF-QYZOEREBSA-N 2 2 388.556 3.603 20 0 GHADLP C[C@@H](CC[NH2+][C@@H](C)c1cnccc1NC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000796935596 932114314 /nfs/dbraw/zinc/11/43/14/932114314.db2.gz HSYGVBVFZGKXEQ-IRXDYDNUSA-N 2 2 376.545 3.766 20 0 GHADLP CCc1oc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1C(=O)OC ZINC000559068716 932409358 /nfs/dbraw/zinc/40/93/58/932409358.db2.gz KFNQWHUFPRAQTL-OAHLLOKOSA-N 2 2 376.522 3.692 20 0 GHADLP CCc1oc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1C(=O)OC ZINC000559068716 932409361 /nfs/dbraw/zinc/40/93/61/932409361.db2.gz KFNQWHUFPRAQTL-OAHLLOKOSA-N 2 2 376.522 3.692 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc(Cl)cc1Cl ZINC000559313063 932592330 /nfs/dbraw/zinc/59/23/30/932592330.db2.gz YYPVNYBCOLASDM-AUSJPIAWSA-N 2 2 398.378 3.977 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc(Cl)cc1Cl ZINC000559313063 932592333 /nfs/dbraw/zinc/59/23/33/932592333.db2.gz YYPVNYBCOLASDM-AUSJPIAWSA-N 2 2 398.378 3.977 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc(Cl)cc1Cl ZINC000559313063 932592340 /nfs/dbraw/zinc/59/23/40/932592340.db2.gz YYPVNYBCOLASDM-AUSJPIAWSA-N 2 2 398.378 3.977 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc(Cl)cc1Cl ZINC000559313063 932592342 /nfs/dbraw/zinc/59/23/42/932592342.db2.gz YYPVNYBCOLASDM-AUSJPIAWSA-N 2 2 398.378 3.977 20 0 GHADLP COc1ccc(C[C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(C)c1OC ZINC000560522047 933309268 /nfs/dbraw/zinc/30/92/68/933309268.db2.gz XDPQDTBZTNONJA-SFHVURJKSA-N 2 2 398.547 3.565 20 0 GHADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C2)C1 ZINC000560594799 933370824 /nfs/dbraw/zinc/37/08/24/933370824.db2.gz KWXZLNCPQWEHCS-FQEVSTJZSA-N 2 2 392.469 3.868 20 0 GHADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C2)C1 ZINC000560594799 933370831 /nfs/dbraw/zinc/37/08/31/933370831.db2.gz KWXZLNCPQWEHCS-FQEVSTJZSA-N 2 2 392.469 3.868 20 0 GHADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C2)C1 ZINC000560594799 933370837 /nfs/dbraw/zinc/37/08/37/933370837.db2.gz KWXZLNCPQWEHCS-FQEVSTJZSA-N 2 2 392.469 3.868 20 0 GHADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C2)C1 ZINC000560594799 933370848 /nfs/dbraw/zinc/37/08/48/933370848.db2.gz KWXZLNCPQWEHCS-FQEVSTJZSA-N 2 2 392.469 3.868 20 0 GHADLP O=C(C[C@H]1[NH2+]Cc2ccccc21)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001118506863 934183630 /nfs/dbraw/zinc/18/36/30/934183630.db2.gz RAXJZFDNYFOCGT-HXUWFJFHSA-N 2 2 389.503 3.722 20 0 GHADLP Oc1cc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc(C(F)(F)F)c1 ZINC000562080160 934678930 /nfs/dbraw/zinc/67/89/30/934678930.db2.gz VJJSWVMOPHEOOA-UHFFFAOYSA-N 2 2 375.394 3.988 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc(Cl)c4Cl)C[C@H]3C2)cn1 ZINC001204182477 1032634104 /nfs/dbraw/zinc/63/41/04/1032634104.db2.gz PRSVNJARKVKWPM-NVXWUHKLSA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc(Cl)c4Cl)C[C@H]3C2)cn1 ZINC001204182477 1032634110 /nfs/dbraw/zinc/63/41/10/1032634110.db2.gz PRSVNJARKVKWPM-NVXWUHKLSA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc(Cl)c4Cl)C[C@H]3C2)cn1 ZINC001204182477 1032634117 /nfs/dbraw/zinc/63/41/17/1032634117.db2.gz PRSVNJARKVKWPM-NVXWUHKLSA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc(Cl)c4Cl)C[C@H]3C2)cn1 ZINC001204182477 1032634120 /nfs/dbraw/zinc/63/41/20/1032634120.db2.gz PRSVNJARKVKWPM-NVXWUHKLSA-N 2 2 379.335 3.681 20 0 GHADLP COc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)c(OC)c1C ZINC001204260970 1032705012 /nfs/dbraw/zinc/70/50/12/1032705012.db2.gz YWGUXIYYTOTSNP-FGZHOGPDSA-N 2 2 380.532 3.884 20 0 GHADLP Cc1cn2c(nc(C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc2=O)s1 ZINC000929805585 1017742845 /nfs/dbraw/zinc/74/28/45/1017742845.db2.gz DDRVFDZYBHTRAC-OXQOHEQNSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1cn2c(nc(C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc2=O)s1 ZINC000929805585 1017742860 /nfs/dbraw/zinc/74/28/60/1017742860.db2.gz DDRVFDZYBHTRAC-OXQOHEQNSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1cn2c(nc(C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cc2=O)s1 ZINC000929805585 1017742875 /nfs/dbraw/zinc/74/28/75/1017742875.db2.gz DDRVFDZYBHTRAC-OXQOHEQNSA-N 2 2 396.560 3.549 20 0 GHADLP Cc1cn2c(nc(C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cc2=O)s1 ZINC000929805585 1017742890 /nfs/dbraw/zinc/74/28/90/1017742890.db2.gz DDRVFDZYBHTRAC-OXQOHEQNSA-N 2 2 396.560 3.549 20 0 GHADLP C[NH+](C)C1(C)CCN(Cc2ccccc2C[NH+]2CCC(C)([NH+](C)C)CC2)CC1 ZINC000931353270 1017963531 /nfs/dbraw/zinc/96/35/31/1017963531.db2.gz CEGCFBQLLUWYDR-UHFFFAOYSA-N 3 2 386.628 3.519 20 0 GHADLP CC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001204299245 1032738540 /nfs/dbraw/zinc/73/85/40/1032738540.db2.gz SNQYKNKSKBXUHU-DEOSSOPVSA-N 2 2 380.532 3.907 20 0 GHADLP CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001204299245 1032738562 /nfs/dbraw/zinc/73/85/62/1032738562.db2.gz SNQYKNKSKBXUHU-DEOSSOPVSA-N 2 2 380.532 3.907 20 0 GHADLP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000562768118 1018617562 /nfs/dbraw/zinc/61/75/62/1018617562.db2.gz FODHMIWVETXIHN-FGZHOGPDSA-N 2 2 387.487 3.579 20 0 GHADLP C[N@H+](CC(=O)c1cccc(O[C@H]2CCc3[nH+]ccn3C2)c1)Cc1ccccc1 ZINC001228102911 1032781527 /nfs/dbraw/zinc/78/15/27/1032781527.db2.gz JYPLAWBTJQPZPX-NRFANRHFSA-N 2 2 375.472 3.592 20 0 GHADLP C[N@@H+](CC(=O)c1cccc(O[C@H]2CCc3[nH+]ccn3C2)c1)Cc1ccccc1 ZINC001228102911 1032781540 /nfs/dbraw/zinc/78/15/40/1032781540.db2.gz JYPLAWBTJQPZPX-NRFANRHFSA-N 2 2 375.472 3.592 20 0 GHADLP [NH3+][C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1c(F)cccc1F ZINC000564913227 1019129218 /nfs/dbraw/zinc/12/92/18/1019129218.db2.gz JHWXAAJDOHCCTE-NRFANRHFSA-N 2 2 387.474 3.657 20 0 GHADLP c1cn(-c2csc(C[N@@H+](CCc3ccccn3)Cc3ccncc3)c2)c[nH+]1 ZINC000569038025 1019460877 /nfs/dbraw/zinc/46/08/77/1019460877.db2.gz AWXWTHXFNCYFGV-UHFFFAOYSA-N 2 2 375.501 3.969 20 0 GHADLP c1cn(-c2csc(C[N@H+](CCc3ccccn3)Cc3ccncc3)c2)c[nH+]1 ZINC000569038025 1019460884 /nfs/dbraw/zinc/46/08/84/1019460884.db2.gz AWXWTHXFNCYFGV-UHFFFAOYSA-N 2 2 375.501 3.969 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000570024097 1019551570 /nfs/dbraw/zinc/55/15/70/1019551570.db2.gz HHIGDDCPBWHHLW-MRXNPFEDSA-N 2 2 390.940 3.682 20 0 GHADLP CCCOc1ccc(C[N@H+](Cc2nccn2CC)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000578070524 1020316021 /nfs/dbraw/zinc/31/60/21/1020316021.db2.gz WKXOHCLAPHSZNN-OAQYLSRUSA-N 2 2 382.552 3.836 20 0 GHADLP CCCOc1ccc(C[N@@H+](Cc2nccn2CC)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000578070524 1020316033 /nfs/dbraw/zinc/31/60/33/1020316033.db2.gz WKXOHCLAPHSZNN-OAQYLSRUSA-N 2 2 382.552 3.836 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)c(F)c(F)c1)CC2 ZINC001204523803 1032948100 /nfs/dbraw/zinc/94/81/00/1032948100.db2.gz ILXYLHPUFWIVFU-MRXNPFEDSA-N 2 2 394.437 3.952 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)c(F)c(F)c1)CC2 ZINC001204523803 1032948102 /nfs/dbraw/zinc/94/81/02/1032948102.db2.gz ILXYLHPUFWIVFU-MRXNPFEDSA-N 2 2 394.437 3.952 20 0 GHADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000635416553 1020983084 /nfs/dbraw/zinc/98/30/84/1020983084.db2.gz LTBHOLZCTDPQLI-KRWDZBQOSA-N 2 2 380.414 3.654 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1nc(Br)cs1 ZINC000834733378 1021419773 /nfs/dbraw/zinc/41/97/73/1021419773.db2.gz GTDMQOOHRTVDMT-DGCLKSJQSA-N 2 2 396.358 3.614 20 0 GHADLP c1csc(-c2cccc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c2)n1 ZINC001140332659 1021428607 /nfs/dbraw/zinc/42/86/07/1021428607.db2.gz ZQTPHVAPBBYTOE-NHCUHLMSSA-N 2 2 376.529 3.769 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H](CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)C1 ZINC000801935527 1021456808 /nfs/dbraw/zinc/45/68/08/1021456808.db2.gz GQODYDNSDIJZAM-GOSISDBHSA-N 2 2 388.556 3.995 20 0 GHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001156318780 1032983388 /nfs/dbraw/zinc/98/33/88/1032983388.db2.gz UNSDPBCYBBAOCG-ZRTFODASSA-N 2 2 391.515 3.899 20 0 GHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001156318780 1032983391 /nfs/dbraw/zinc/98/33/91/1032983391.db2.gz UNSDPBCYBBAOCG-ZRTFODASSA-N 2 2 391.515 3.899 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)C1 ZINC001203035047 1021647393 /nfs/dbraw/zinc/64/73/93/1021647393.db2.gz PHVLJJGNRAKGDS-NRFANRHFSA-N 2 2 399.579 3.739 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)C1 ZINC001203035047 1021647403 /nfs/dbraw/zinc/64/74/03/1021647403.db2.gz PHVLJJGNRAKGDS-NRFANRHFSA-N 2 2 399.579 3.739 20 0 GHADLP Cn1cnc2cc(C[NH+]3CC(c4[nH+]cn5cc(Br)ccc45)C3)ccc21 ZINC001140509111 1021895389 /nfs/dbraw/zinc/89/53/89/1021895389.db2.gz IEYADOXRPUKSKK-UHFFFAOYSA-N 2 2 396.292 3.583 20 0 GHADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000836004500 1022541653 /nfs/dbraw/zinc/54/16/53/1022541653.db2.gz XDJGRDPGFHUXBP-GOSISDBHSA-N 2 2 384.549 3.509 20 0 GHADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000836004500 1022541657 /nfs/dbraw/zinc/54/16/57/1022541657.db2.gz XDJGRDPGFHUXBP-GOSISDBHSA-N 2 2 384.549 3.509 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc4c(c2)OCCO4)C3)cc1 ZINC001141041882 1023365912 /nfs/dbraw/zinc/36/59/12/1023365912.db2.gz OQMSIEBJHRXHFR-DEOSSOPVSA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc4c(c2)OCCO4)C3)cc1 ZINC001141041882 1023365920 /nfs/dbraw/zinc/36/59/20/1023365920.db2.gz OQMSIEBJHRXHFR-DEOSSOPVSA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccc4c(c2)OCCO4)C3)cc1 ZINC001141041882 1023365925 /nfs/dbraw/zinc/36/59/25/1023365925.db2.gz OQMSIEBJHRXHFR-DEOSSOPVSA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc4c(c2)OCCO4)C3)cc1 ZINC001141041882 1023365933 /nfs/dbraw/zinc/36/59/33/1023365933.db2.gz OQMSIEBJHRXHFR-DEOSSOPVSA-N 2 2 378.516 3.946 20 0 GHADLP Cc1ccc(/C=C/c2nc(=S)n(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)[nH]2)o1 ZINC000755778257 1023373753 /nfs/dbraw/zinc/37/37/53/1023373753.db2.gz FIQCQIGJFQUVTO-RTRPANQVSA-N 2 2 387.553 3.634 20 0 GHADLP Cc1ccc(/C=C/c2nc(=S)n(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)[nH]2)o1 ZINC000755778257 1023373762 /nfs/dbraw/zinc/37/37/62/1023373762.db2.gz FIQCQIGJFQUVTO-RTRPANQVSA-N 2 2 387.553 3.634 20 0 GHADLP Cc1cc2c(s1)N(c1nc(Cl)nc3c1CC[NH2+]C3)c1ccccc1NC2=[NH2+] ZINC001156668966 1033172381 /nfs/dbraw/zinc/17/23/81/1033172381.db2.gz VCTOWPXHVKOXNG-UHFFFAOYSA-N 2 2 396.907 3.966 20 0 GHADLP COc1cc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc(O)c1OC ZINC001141174083 1024008372 /nfs/dbraw/zinc/00/83/72/1024008372.db2.gz UNPKCOHIADAQBD-DZCCDHAISA-N 2 2 398.547 3.804 20 0 GHADLP COc1cc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc(O)c1OC ZINC001141174083 1024008387 /nfs/dbraw/zinc/00/83/87/1024008387.db2.gz UNPKCOHIADAQBD-DZCCDHAISA-N 2 2 398.547 3.804 20 0 GHADLP COc1cc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc(O)c1OC ZINC001141174083 1024008409 /nfs/dbraw/zinc/00/84/09/1024008409.db2.gz UNPKCOHIADAQBD-DZCCDHAISA-N 2 2 398.547 3.804 20 0 GHADLP COc1cc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc(O)c1OC ZINC001141174083 1024008426 /nfs/dbraw/zinc/00/84/26/1024008426.db2.gz UNPKCOHIADAQBD-DZCCDHAISA-N 2 2 398.547 3.804 20 0 GHADLP CC1(C)CCc2cc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)ccc2O1 ZINC001141181504 1024024106 /nfs/dbraw/zinc/02/41/06/1024024106.db2.gz HPPLNLXNDRRCPG-FGZHOGPDSA-N 2 2 377.532 3.749 20 0 GHADLP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1F ZINC001141221801 1024180952 /nfs/dbraw/zinc/18/09/52/1024180952.db2.gz YKRINTUJKFJYGV-YYWHXJBOSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1F ZINC001141221801 1024180958 /nfs/dbraw/zinc/18/09/58/1024180958.db2.gz YKRINTUJKFJYGV-YYWHXJBOSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1F ZINC001141221801 1024180960 /nfs/dbraw/zinc/18/09/60/1024180960.db2.gz YKRINTUJKFJYGV-YYWHXJBOSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1F ZINC001141221801 1024180965 /nfs/dbraw/zinc/18/09/65/1024180965.db2.gz YKRINTUJKFJYGV-YYWHXJBOSA-N 2 2 383.511 3.962 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]C[C@@H]3CCOc4ccccc43)CC2)c1 ZINC001461012668 1069334982 /nfs/dbraw/zinc/33/49/82/1069334982.db2.gz DGSWUNBYNUOXMS-NRFANRHFSA-N 2 2 379.548 3.663 20 0 GHADLP CC1(C)CC([NH3+])CC(C)(C)N1c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001156770923 1033233057 /nfs/dbraw/zinc/23/30/57/1033233057.db2.gz MBVKLPHNSBOGAF-UHFFFAOYSA-N 2 2 379.552 3.520 20 0 GHADLP CC1(C)CC([NH3+])CC(C)(C)N1c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001156770923 1033233065 /nfs/dbraw/zinc/23/30/65/1033233065.db2.gz MBVKLPHNSBOGAF-UHFFFAOYSA-N 2 2 379.552 3.520 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1 ZINC001138544061 1024987104 /nfs/dbraw/zinc/98/71/04/1024987104.db2.gz BKZJJPOGRTZIJW-VQTJNVASSA-N 2 2 382.508 3.764 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1 ZINC001138544061 1024987109 /nfs/dbraw/zinc/98/71/09/1024987109.db2.gz BKZJJPOGRTZIJW-VQTJNVASSA-N 2 2 382.508 3.764 20 0 GHADLP Cc1cccc(C[NH+]2CCC([N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)c1C ZINC001205103925 1033253001 /nfs/dbraw/zinc/25/30/01/1033253001.db2.gz ZKWVCDDFAMSQOT-FQEVSTJZSA-N 2 2 387.568 3.867 20 0 GHADLP Cc1cccc(C[NH+]2CCC([N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)c1C ZINC001205103925 1033253010 /nfs/dbraw/zinc/25/30/10/1033253010.db2.gz ZKWVCDDFAMSQOT-FQEVSTJZSA-N 2 2 387.568 3.867 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)ccc1OC(F)F ZINC001138554097 1025009476 /nfs/dbraw/zinc/00/94/76/1025009476.db2.gz YXGWWWPSQDOVTL-HZPDHXFCSA-N 2 2 394.487 3.922 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1OC(F)F ZINC001138553283 1025009507 /nfs/dbraw/zinc/00/95/07/1025009507.db2.gz CSHKYKWQPIUWCF-RTBURBONSA-N 2 2 388.458 3.860 20 0 GHADLP C[N@H+](Cc1ccc(Br)cc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139062768 1025854581 /nfs/dbraw/zinc/85/45/81/1025854581.db2.gz UYHUJTLZQXMELZ-UHFFFAOYSA-N 2 2 389.337 3.913 20 0 GHADLP C[N@@H+](Cc1ccc(Br)cc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139062768 1025854612 /nfs/dbraw/zinc/85/46/12/1025854612.db2.gz UYHUJTLZQXMELZ-UHFFFAOYSA-N 2 2 389.337 3.913 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1cccc(-c3ccc(F)cc3)c1)CC2 ZINC001139066763 1025865364 /nfs/dbraw/zinc/86/53/64/1025865364.db2.gz FWZVJWUXSWQFED-UHFFFAOYSA-N 2 2 395.522 3.669 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1cccc(-c3ccc(F)cc3)c1)CC2 ZINC001139066763 1025865388 /nfs/dbraw/zinc/86/53/88/1025865388.db2.gz FWZVJWUXSWQFED-UHFFFAOYSA-N 2 2 395.522 3.669 20 0 GHADLP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC001162731941 1025895984 /nfs/dbraw/zinc/89/59/84/1025895984.db2.gz AZHUYIWYNIZNNC-NRFANRHFSA-N 2 2 380.492 3.569 20 0 GHADLP COc1ccc2c(c1)c(C[N@@H+]1C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C1)cn2C ZINC001139147432 1025962214 /nfs/dbraw/zinc/96/22/14/1025962214.db2.gz XZVSPOQVKBDWSM-CALCHBBNSA-N 2 2 381.545 3.812 20 0 GHADLP COc1ccc2c(c1)c(C[N@H+]1C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C1)cn2C ZINC001139147432 1025962216 /nfs/dbraw/zinc/96/22/16/1025962216.db2.gz XZVSPOQVKBDWSM-CALCHBBNSA-N 2 2 381.545 3.812 20 0 GHADLP COc1ccc2c(c1)c(C[NH+]1C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C1)cn2C ZINC001139147432 1025962224 /nfs/dbraw/zinc/96/22/24/1025962224.db2.gz XZVSPOQVKBDWSM-CALCHBBNSA-N 2 2 381.545 3.812 20 0 GHADLP COc1ccc2c(c1)c(C[NH+]1C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C1)cn2C ZINC001139147432 1025962230 /nfs/dbraw/zinc/96/22/30/1025962230.db2.gz XZVSPOQVKBDWSM-CALCHBBNSA-N 2 2 381.545 3.812 20 0 GHADLP Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)[nH+]c2cc[nH]c21 ZINC001162940933 1025977782 /nfs/dbraw/zinc/97/77/82/1025977782.db2.gz BGJFKEPJQDWSFG-HXUWFJFHSA-N 3 2 389.547 3.785 20 0 GHADLP Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)[nH+]c2cc[nH]c21 ZINC001162940933 1025977787 /nfs/dbraw/zinc/97/77/87/1025977787.db2.gz BGJFKEPJQDWSFG-HXUWFJFHSA-N 3 2 389.547 3.785 20 0 GHADLP Fc1ccccc1COc1ccc[nH+]c1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162956971 1025985353 /nfs/dbraw/zinc/98/53/53/1025985353.db2.gz IDAVKXRPCCTPDY-GOSISDBHSA-N 2 2 385.483 3.760 20 0 GHADLP Cc1[nH+]cn(-c2ccc(N[C@H]3CC4(CC[NH2+]CC4)c4ccc(C)cc43)nn2)c1C ZINC001163032359 1026015426 /nfs/dbraw/zinc/01/54/26/1026015426.db2.gz VZADHCDBVOEIPY-FQEVSTJZSA-N 2 2 388.519 3.766 20 0 GHADLP COC(=O)c1cc2[nH+]c[nH]c2c(N[C@@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)c1 ZINC001163034454 1026017953 /nfs/dbraw/zinc/01/79/53/1026017953.db2.gz RMCUVMZYQVYSDP-HXUWFJFHSA-N 2 2 390.487 3.836 20 0 GHADLP CC(C)[N@@H+]1CC[C@@H](Nc2ncnc3c2C[NH+](Cc2ccccc2)CC3)[C@@H](C)C1 ZINC001163363363 1026160594 /nfs/dbraw/zinc/16/05/94/1026160594.db2.gz QJLNAKAKBQPKDW-GHTZIAJQSA-N 2 2 379.552 3.566 20 0 GHADLP CC(C)[N@H+]1CC[C@@H](Nc2ncnc3c2C[NH+](Cc2ccccc2)CC3)[C@@H](C)C1 ZINC001163363363 1026160605 /nfs/dbraw/zinc/16/06/05/1026160605.db2.gz QJLNAKAKBQPKDW-GHTZIAJQSA-N 2 2 379.552 3.566 20 0 GHADLP CC(C)[NH+]1CC[C@@H](Nc2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@@H](C)C1 ZINC001163363363 1026160614 /nfs/dbraw/zinc/16/06/14/1026160614.db2.gz QJLNAKAKBQPKDW-GHTZIAJQSA-N 2 2 379.552 3.566 20 0 GHADLP CC(C)[NH+]1CC[C@@H](Nc2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@@H](C)C1 ZINC001163363363 1026160620 /nfs/dbraw/zinc/16/06/20/1026160620.db2.gz QJLNAKAKBQPKDW-GHTZIAJQSA-N 2 2 379.552 3.566 20 0 GHADLP COc1ccc([C@@H](O)C[N@H+](CCn2cc[nH+]c2)[C@@H](C)Cc2ccccc2)cc1 ZINC000839646768 1026165169 /nfs/dbraw/zinc/16/51/69/1026165169.db2.gz LFBOBKVLPWVLLN-CVDCTZTESA-N 2 2 379.504 3.559 20 0 GHADLP COc1ccc([C@@H](O)C[N@@H+](CCn2cc[nH+]c2)[C@@H](C)Cc2ccccc2)cc1 ZINC000839646768 1026165181 /nfs/dbraw/zinc/16/51/81/1026165181.db2.gz LFBOBKVLPWVLLN-CVDCTZTESA-N 2 2 379.504 3.559 20 0 GHADLP COc1ccc([C@H](O)C[N@H+](CCn2cc[nH+]c2)[C@H](C)Cc2ccccc2)cc1 ZINC000839646767 1026165414 /nfs/dbraw/zinc/16/54/14/1026165414.db2.gz LFBOBKVLPWVLLN-AUSIDOKSSA-N 2 2 379.504 3.559 20 0 GHADLP COc1ccc([C@H](O)C[N@@H+](CCn2cc[nH+]c2)[C@H](C)Cc2ccccc2)cc1 ZINC000839646767 1026165418 /nfs/dbraw/zinc/16/54/18/1026165418.db2.gz LFBOBKVLPWVLLN-AUSIDOKSSA-N 2 2 379.504 3.559 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]3c3ccc(Cl)cc3)s2)CC1 ZINC001139324636 1026182814 /nfs/dbraw/zinc/18/28/14/1026182814.db2.gz JQSLIMIQYLLZJY-SFHVURJKSA-N 2 2 376.957 3.885 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]3c3ccc(Cl)cc3)s2)CC1 ZINC001139324636 1026182821 /nfs/dbraw/zinc/18/28/21/1026182821.db2.gz JQSLIMIQYLLZJY-SFHVURJKSA-N 2 2 376.957 3.885 20 0 GHADLP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1cccc(C(F)(F)F)c1 ZINC001139325190 1026183993 /nfs/dbraw/zinc/18/39/93/1026183993.db2.gz FVHYWCOHKCVWMH-UHFFFAOYSA-N 2 2 398.498 3.936 20 0 GHADLP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1cccc(C(F)(F)F)c1 ZINC001139325190 1026183998 /nfs/dbraw/zinc/18/39/98/1026183998.db2.gz FVHYWCOHKCVWMH-UHFFFAOYSA-N 2 2 398.498 3.936 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(N5CCCCC5)nc4)C[C@H]3C2)cc1 ZINC001139341416 1026203917 /nfs/dbraw/zinc/20/39/17/1026203917.db2.gz RVSWNRDIQNYJQH-DNQXCXABSA-N 2 2 390.575 3.944 20 0 GHADLP CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001139356669 1026226993 /nfs/dbraw/zinc/22/69/93/1026226993.db2.gz QBGZNADIVGLOGJ-UHFFFAOYSA-N 2 2 375.472 3.536 20 0 GHADLP CCOC(=O)Cc1ccc2c(c1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001139356669 1026226999 /nfs/dbraw/zinc/22/69/99/1026226999.db2.gz QBGZNADIVGLOGJ-UHFFFAOYSA-N 2 2 375.472 3.536 20 0 GHADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC001139422842 1026293183 /nfs/dbraw/zinc/29/31/83/1026293183.db2.gz RBENIKFYYOBNGN-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC001139422842 1026293192 /nfs/dbraw/zinc/29/31/92/1026293192.db2.gz RBENIKFYYOBNGN-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP Fc1ccc(C2CC[NH+](Cc3cccc(OCC[NH+]4CCOCC4)c3)CC2)cc1 ZINC001139766046 1026602656 /nfs/dbraw/zinc/60/26/56/1026602656.db2.gz DTAMGUONXZLMHQ-UHFFFAOYSA-N 2 2 398.522 3.916 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1ccncc1Cl)C2 ZINC001139846160 1026664257 /nfs/dbraw/zinc/66/42/57/1026664257.db2.gz HRCWDISJCNGWCE-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1ccncc1Cl)C2 ZINC001139846160 1026664264 /nfs/dbraw/zinc/66/42/64/1026664264.db2.gz HRCWDISJCNGWCE-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1ccncc1Cl)C2 ZINC001139846160 1026664268 /nfs/dbraw/zinc/66/42/68/1026664268.db2.gz HRCWDISJCNGWCE-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1ccncc1Cl)C2 ZINC001139846160 1026664273 /nfs/dbraw/zinc/66/42/73/1026664273.db2.gz HRCWDISJCNGWCE-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CC2(C1)CCN(C(=O)OC(C)(C)C)C2 ZINC001140020783 1026803710 /nfs/dbraw/zinc/80/37/10/1026803710.db2.gz DBBBBFAHWGLKJQ-UHFFFAOYSA-N 2 2 382.508 3.624 20 0 GHADLP COc1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)nc1 ZINC001140029034 1026818880 /nfs/dbraw/zinc/81/88/80/1026818880.db2.gz GXPLSRNLBCZOFP-HXUWFJFHSA-N 2 2 378.476 3.628 20 0 GHADLP COc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)nc1 ZINC001140029034 1026818889 /nfs/dbraw/zinc/81/88/89/1026818889.db2.gz GXPLSRNLBCZOFP-HXUWFJFHSA-N 2 2 378.476 3.628 20 0 GHADLP Cc1ccc(OC(F)F)c(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)c1 ZINC001461149627 1069414200 /nfs/dbraw/zinc/41/42/00/1069414200.db2.gz LZFBUEKHOYKWCJ-UHFFFAOYSA-N 2 2 389.490 3.634 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)[C@@H]1c1ccc(F)cc1 ZINC001209729336 1027125022 /nfs/dbraw/zinc/12/50/22/1027125022.db2.gz YCMMFMKBMBTGIA-CTNGQTDRSA-N 2 2 397.498 3.778 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)[C@@H]1c1ccc(F)cc1 ZINC001209729336 1027125032 /nfs/dbraw/zinc/12/50/32/1027125032.db2.gz YCMMFMKBMBTGIA-CTNGQTDRSA-N 2 2 397.498 3.778 20 0 GHADLP Clc1cccc([C@H]2CCN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)C2)c1Cl ZINC001166896707 1027141535 /nfs/dbraw/zinc/14/15/35/1027141535.db2.gz XLUJVCGHJNKQTR-AWEZNQCLSA-N 2 2 377.319 3.792 20 0 GHADLP CC[NH+](CC)c1ccc(Nc2ccc(NCCN3CC[NH+](C)CC3)nc2)c(C)c1 ZINC001209817999 1027216907 /nfs/dbraw/zinc/21/69/07/1027216907.db2.gz MZSWQHIMPHBBLI-UHFFFAOYSA-N 2 2 396.583 3.639 20 0 GHADLP Brc1ccccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001203321782 1027273379 /nfs/dbraw/zinc/27/33/79/1027273379.db2.gz RYZFATLCGHLARW-MJGOQNOKSA-N 2 2 386.337 3.798 20 0 GHADLP Brc1ccccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001203321782 1027273412 /nfs/dbraw/zinc/27/34/12/1027273412.db2.gz RYZFATLCGHLARW-MJGOQNOKSA-N 2 2 386.337 3.798 20 0 GHADLP Brc1ccccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001203321782 1027273422 /nfs/dbraw/zinc/27/34/22/1027273422.db2.gz RYZFATLCGHLARW-MJGOQNOKSA-N 2 2 386.337 3.798 20 0 GHADLP Brc1ccccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001203321782 1027273434 /nfs/dbraw/zinc/27/34/34/1027273434.db2.gz RYZFATLCGHLARW-MJGOQNOKSA-N 2 2 386.337 3.798 20 0 GHADLP COc1cccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)c1OC ZINC001203445533 1027342571 /nfs/dbraw/zinc/34/25/71/1027342571.db2.gz HCKMDTCLPFHYGS-UHFFFAOYSA-N 2 2 399.535 3.939 20 0 GHADLP COc1cccc(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)c1OC ZINC001203445533 1027342589 /nfs/dbraw/zinc/34/25/89/1027342589.db2.gz HCKMDTCLPFHYGS-UHFFFAOYSA-N 2 2 399.535 3.939 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(OC)c1 ZINC001203479567 1027370752 /nfs/dbraw/zinc/37/07/52/1027370752.db2.gz ZGWCVADDVVLDLD-NMNUPHIUSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(OC)c1 ZINC001203479567 1027370769 /nfs/dbraw/zinc/37/07/69/1027370769.db2.gz ZGWCVADDVVLDLD-NMNUPHIUSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(OC)c1 ZINC001203479567 1027370782 /nfs/dbraw/zinc/37/07/82/1027370782.db2.gz ZGWCVADDVVLDLD-NMNUPHIUSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(OC)c1 ZINC001203479567 1027370789 /nfs/dbraw/zinc/37/07/89/1027370789.db2.gz ZGWCVADDVVLDLD-NMNUPHIUSA-N 2 2 395.547 3.831 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(OC)c(C)c3C)CC2)C1 ZINC001203715460 1027548983 /nfs/dbraw/zinc/54/89/83/1027548983.db2.gz IINCXUBJAWQRGJ-FQEVSTJZSA-N 2 2 388.552 3.552 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(OC)c(C)c3C)CC2)C1 ZINC001203715460 1027548997 /nfs/dbraw/zinc/54/89/97/1027548997.db2.gz IINCXUBJAWQRGJ-FQEVSTJZSA-N 2 2 388.552 3.552 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(OC)c(C)c3C)CC2)CC1 ZINC001203715164 1027549437 /nfs/dbraw/zinc/54/94/37/1027549437.db2.gz CRERXCFVWYXUAF-UHFFFAOYSA-N 2 2 388.552 3.552 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1OC(C)=O ZINC001203836479 1027644101 /nfs/dbraw/zinc/64/41/01/1027644101.db2.gz DNPKMPWYLVIFJQ-FCHUYYIVSA-N 2 2 394.515 3.574 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1OC(C)=O ZINC001203836479 1027644107 /nfs/dbraw/zinc/64/41/07/1027644107.db2.gz DNPKMPWYLVIFJQ-FCHUYYIVSA-N 2 2 394.515 3.574 20 0 GHADLP COc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1OC(C)=O ZINC001203836479 1027644114 /nfs/dbraw/zinc/64/41/14/1027644114.db2.gz DNPKMPWYLVIFJQ-FCHUYYIVSA-N 2 2 394.515 3.574 20 0 GHADLP COc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1OC(C)=O ZINC001203836479 1027644120 /nfs/dbraw/zinc/64/41/20/1027644120.db2.gz DNPKMPWYLVIFJQ-FCHUYYIVSA-N 2 2 394.515 3.574 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCCCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001203898052 1027690868 /nfs/dbraw/zinc/69/08/68/1027690868.db2.gz YKQGEXRUEATNCQ-OFNKIYASSA-N 2 2 391.559 3.999 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCCCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001203898052 1027690872 /nfs/dbraw/zinc/69/08/72/1027690872.db2.gz YKQGEXRUEATNCQ-OFNKIYASSA-N 2 2 391.559 3.999 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)cc1 ZINC001203927368 1027718412 /nfs/dbraw/zinc/71/84/12/1027718412.db2.gz LUPSWSUNVAEYOK-UHFFFAOYSA-N 2 2 399.292 3.655 20 0 GHADLP Cc1ccsc1C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001204024587 1027814048 /nfs/dbraw/zinc/81/40/48/1027814048.db2.gz LQYLJFDPQIMEJV-INIZCTEOSA-N 2 2 379.570 3.620 20 0 GHADLP Cc1ccsc1C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001204024587 1027814067 /nfs/dbraw/zinc/81/40/67/1027814067.db2.gz LQYLJFDPQIMEJV-INIZCTEOSA-N 2 2 379.570 3.620 20 0 GHADLP C[C@@H](CNC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC001211278157 1027884240 /nfs/dbraw/zinc/88/42/40/1027884240.db2.gz WKGHHBFGIQRIIO-QYZOEREBSA-N 2 2 389.588 3.790 20 0 GHADLP C[C@@H](CNC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC001211278157 1027884260 /nfs/dbraw/zinc/88/42/60/1027884260.db2.gz WKGHHBFGIQRIIO-QYZOEREBSA-N 2 2 389.588 3.790 20 0 GHADLP COc1cc(C[N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)cc(OC)c1O ZINC001204127539 1027899987 /nfs/dbraw/zinc/89/99/87/1027899987.db2.gz UQVXFTUWTXYVPD-UHFFFAOYSA-N 2 2 388.483 3.645 20 0 GHADLP COc1cc(C[N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)cc(OC)c1O ZINC001204127539 1027900007 /nfs/dbraw/zinc/90/00/07/1027900007.db2.gz UQVXFTUWTXYVPD-UHFFFAOYSA-N 2 2 388.483 3.645 20 0 GHADLP CCOc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)ccc1OC(=O)CC ZINC000840881962 1027919985 /nfs/dbraw/zinc/91/99/85/1027919985.db2.gz QXKMDFMVEMDFIS-UHFFFAOYSA-N 2 2 394.475 3.580 20 0 GHADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001461343771 1069509815 /nfs/dbraw/zinc/50/98/15/1069509815.db2.gz KAKIVIQCKHLEES-IRXDYDNUSA-N 2 2 388.886 3.799 20 0 GHADLP CCCCn1nc(C)c(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1Cl ZINC001461353610 1069515023 /nfs/dbraw/zinc/51/50/23/1069515023.db2.gz FJGCTFOUPLSIEF-KRWDZBQOSA-N 2 2 390.963 3.792 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccc5c(c4)OCCCO5)C3)C2)cc1 ZINC001142271932 1028540728 /nfs/dbraw/zinc/54/07/28/1028540728.db2.gz XXNQVXZAMQVURZ-XMMPIXPASA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccc5c(c4)OCCCO5)C3)C2)cc1 ZINC001142271932 1028540742 /nfs/dbraw/zinc/54/07/42/1028540742.db2.gz XXNQVXZAMQVURZ-XMMPIXPASA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccc5c(c4)OCCCO5)C3)C2)cc1 ZINC001142271932 1028540753 /nfs/dbraw/zinc/54/07/53/1028540753.db2.gz XXNQVXZAMQVURZ-XMMPIXPASA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccc5c(c4)OCCCO5)C3)C2)cc1 ZINC001142271932 1028540769 /nfs/dbraw/zinc/54/07/69/1028540769.db2.gz XXNQVXZAMQVURZ-XMMPIXPASA-N 2 2 378.516 3.946 20 0 GHADLP Cn1nc(C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)c2ccccc21 ZINC001461426899 1069544347 /nfs/dbraw/zinc/54/43/47/1069544347.db2.gz ARDJVKJFFMNGTB-UHFFFAOYSA-N 2 2 395.894 3.792 20 0 GHADLP CN(C)c1cc[nH+]cc1-c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001214669980 1028851531 /nfs/dbraw/zinc/85/15/31/1028851531.db2.gz QWWMJFFVZFGWIN-LJQANCHMSA-N 2 2 390.422 3.736 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)N(C)C2CCC([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000841866196 1028981485 /nfs/dbraw/zinc/98/14/85/1028981485.db2.gz FHQYRGAXIGKPIO-NRERDWFFSA-N 2 2 396.938 3.526 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)N(C)C2CCC([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000841866196 1028981487 /nfs/dbraw/zinc/98/14/87/1028981487.db2.gz FHQYRGAXIGKPIO-NRERDWFFSA-N 2 2 396.938 3.526 20 0 GHADLP FC(F)Oc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1OC(F)F ZINC001142822242 1029533837 /nfs/dbraw/zinc/53/38/37/1029533837.db2.gz KPNRRRYNULNSIF-AWEZNQCLSA-N 2 2 386.345 3.938 20 0 GHADLP FC(F)Oc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1OC(F)F ZINC001142822242 1029533841 /nfs/dbraw/zinc/53/38/41/1029533841.db2.gz KPNRRRYNULNSIF-AWEZNQCLSA-N 2 2 386.345 3.938 20 0 GHADLP Fc1ccc(C(F)(F)F)c(Br)c1C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001222208530 1030005799 /nfs/dbraw/zinc/00/57/99/1030005799.db2.gz PLYHNKSCBNQCQA-UHFFFAOYSA-N 2 2 381.211 3.792 20 0 GHADLP CCOc1cc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)ccc1OCCCOC ZINC001222297826 1030057856 /nfs/dbraw/zinc/05/78/56/1030057856.db2.gz LHSZUICXQWSFCJ-UHFFFAOYSA-N 2 2 376.541 3.609 20 0 GHADLP Cc1c(Br)cc(C[NH+]2CCC(F)(C[NH3+])CC2)cc1Br ZINC001222548465 1030192820 /nfs/dbraw/zinc/19/28/20/1030192820.db2.gz NDJZLDOHFOXICN-UHFFFAOYSA-N 2 2 394.126 3.783 20 0 GHADLP CCOc1ncccc1C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222589897 1030214064 /nfs/dbraw/zinc/21/40/64/1030214064.db2.gz BVDRIXCKJWLDRB-JOCHJYFZSA-N 2 2 395.547 3.784 20 0 GHADLP CCOc1ncccc1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222589897 1030214082 /nfs/dbraw/zinc/21/40/82/1030214082.db2.gz BVDRIXCKJWLDRB-JOCHJYFZSA-N 2 2 395.547 3.784 20 0 GHADLP CCSc1ncc2cccc(C[N@@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)n21 ZINC001222615788 1030239624 /nfs/dbraw/zinc/23/96/24/1030239624.db2.gz SIENAMNWPYZFCK-FQEVSTJZSA-N 2 2 378.545 3.635 20 0 GHADLP CCSc1ncc2cccc(C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)n21 ZINC001222615788 1030239643 /nfs/dbraw/zinc/23/96/43/1030239643.db2.gz SIENAMNWPYZFCK-FQEVSTJZSA-N 2 2 378.545 3.635 20 0 GHADLP COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1Br ZINC001222616073 1030241758 /nfs/dbraw/zinc/24/17/58/1030241758.db2.gz WYGOWWGTKAADCD-KRWDZBQOSA-N 2 2 387.321 3.647 20 0 GHADLP COc1cccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1Br ZINC001222616073 1030241776 /nfs/dbraw/zinc/24/17/76/1030241776.db2.gz WYGOWWGTKAADCD-KRWDZBQOSA-N 2 2 387.321 3.647 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC001150186726 1030440139 /nfs/dbraw/zinc/44/01/39/1030440139.db2.gz OTIOCTNLWIKRMH-CZAAIQMYSA-N 2 2 385.939 3.722 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC001150186726 1030440148 /nfs/dbraw/zinc/44/01/48/1030440148.db2.gz OTIOCTNLWIKRMH-CZAAIQMYSA-N 2 2 385.939 3.722 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000131284064 1030894500 /nfs/dbraw/zinc/89/45/00/1030894500.db2.gz MNQLIFFLDCBTOL-DVECYGJZSA-N 2 2 394.563 3.722 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000131284064 1030894520 /nfs/dbraw/zinc/89/45/20/1030894520.db2.gz MNQLIFFLDCBTOL-DVECYGJZSA-N 2 2 394.563 3.722 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C[NH2+]2)c1 ZINC001218884555 1031132327 /nfs/dbraw/zinc/13/23/27/1031132327.db2.gz WWYVAPJCEBZVHC-RDJZCZTQSA-N 2 2 394.441 3.924 20 0 GHADLP CN(C(=O)/C=C\CCc1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001153505918 1031623166 /nfs/dbraw/zinc/62/31/66/1031623166.db2.gz WGORFSUOEHXEKH-DOHKSUPDSA-N 2 2 397.607 3.971 20 0 GHADLP CN(C(=O)/C=C\CCc1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001153505918 1031623181 /nfs/dbraw/zinc/62/31/81/1031623181.db2.gz WGORFSUOEHXEKH-DOHKSUPDSA-N 2 2 397.607 3.971 20 0 GHADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001220186202 1031824337 /nfs/dbraw/zinc/82/43/37/1031824337.db2.gz NJCVUOYGBOGSDB-WMZOPIPTSA-N 2 2 399.913 3.618 20 0 GHADLP C[C@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001226466379 1031968368 /nfs/dbraw/zinc/96/83/68/1031968368.db2.gz RGNQBWRYTKCETF-SFHVURJKSA-N 2 2 391.519 3.537 20 0 GHADLP C[C@@H]([NH3+])c1ncc(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)s1 ZINC001220533520 1031979194 /nfs/dbraw/zinc/97/91/94/1031979194.db2.gz OQRXXKVSPPQLAL-RNCFNFMXSA-N 2 2 387.336 3.502 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)c1cc2c(s1)C[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC001220533765 1031980443 /nfs/dbraw/zinc/98/04/43/1031980443.db2.gz SCHAIIKKIREEJS-HNNXBMFYSA-N 2 2 398.359 3.733 20 0 GHADLP C[C@@H]([NH2+][C@@H](CC(N)=O)c1ccccc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001205311054 1033353803 /nfs/dbraw/zinc/35/38/03/1033353803.db2.gz AZGQXWAEKGEABD-BLIXFSHQSA-N 2 2 385.939 3.757 20 0 GHADLP C[C@@H]([NH2+][C@@H](CC(N)=O)c1ccccc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001205311054 1033353816 /nfs/dbraw/zinc/35/38/16/1033353816.db2.gz AZGQXWAEKGEABD-BLIXFSHQSA-N 2 2 385.939 3.757 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2Br)C[C@H]1C[NH3+] ZINC001205319046 1033357636 /nfs/dbraw/zinc/35/76/36/1033357636.db2.gz XWVOREDIDSJOJC-ZYHUDNBSSA-N 2 2 381.236 3.764 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2Br)C[C@H]1C[NH3+] ZINC001205319046 1033357645 /nfs/dbraw/zinc/35/76/45/1033357645.db2.gz XWVOREDIDSJOJC-ZYHUDNBSSA-N 2 2 381.236 3.764 20 0 GHADLP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001229513005 1033531202 /nfs/dbraw/zinc/53/12/02/1033531202.db2.gz AABJGQHOCPZJIB-LJQANCHMSA-N 2 2 397.567 3.991 20 0 GHADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Br)cc1N1CCCCC1 ZINC001205901599 1033627222 /nfs/dbraw/zinc/62/72/22/1033627222.db2.gz DQBQTUJTHTZCNG-CVEARBPZSA-N 2 2 380.374 3.999 20 0 GHADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(Br)cc1N1CCCCC1 ZINC001205901599 1033627233 /nfs/dbraw/zinc/62/72/33/1033627233.db2.gz DQBQTUJTHTZCNG-CVEARBPZSA-N 2 2 380.374 3.999 20 0 GHADLP Cc1cccc2c1C[N@H+](Cc1cc(Br)ccc1N1CC[NH2+]CC1)C2 ZINC001206081595 1033711822 /nfs/dbraw/zinc/71/18/22/1033711822.db2.gz NRERHHGSIOTJAO-UHFFFAOYSA-N 2 2 386.337 3.683 20 0 GHADLP Cc1cccc2c1C[N@@H+](Cc1cc(Br)ccc1N1CC[NH2+]CC1)C2 ZINC001206081595 1033711836 /nfs/dbraw/zinc/71/18/36/1033711836.db2.gz NRERHHGSIOTJAO-UHFFFAOYSA-N 2 2 386.337 3.683 20 0 GHADLP C[NH+]1CCN(C(=[NH2+])Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)CC1 ZINC001157915953 1033823008 /nfs/dbraw/zinc/82/30/08/1033823008.db2.gz IAKMULWVVNFFPA-UHFFFAOYSA-N 2 2 380.883 3.544 20 0 GHADLP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)cc1N1CCCCC1 ZINC001206769036 1033976259 /nfs/dbraw/zinc/97/62/59/1033976259.db2.gz MROKOINFNABHNO-HZPDHXFCSA-N 2 2 380.374 3.999 20 0 GHADLP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(Br)cc1N1CCCCC1 ZINC001206769036 1033976266 /nfs/dbraw/zinc/97/62/66/1033976266.db2.gz MROKOINFNABHNO-HZPDHXFCSA-N 2 2 380.374 3.999 20 0 GHADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)cc1N1CCCCC1 ZINC001206769035 1033976492 /nfs/dbraw/zinc/97/64/92/1033976492.db2.gz MROKOINFNABHNO-HOTGVXAUSA-N 2 2 380.374 3.999 20 0 GHADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Br)cc1N1CCCCC1 ZINC001206769035 1033976496 /nfs/dbraw/zinc/97/64/96/1033976496.db2.gz MROKOINFNABHNO-HOTGVXAUSA-N 2 2 380.374 3.999 20 0 GHADLP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)cc1Br ZINC001206806748 1033992231 /nfs/dbraw/zinc/99/22/31/1033992231.db2.gz HLJOMTSDWSWCRB-GHMZBOCLSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)cc1Br ZINC001206806748 1033992234 /nfs/dbraw/zinc/99/22/34/1033992234.db2.gz HLJOMTSDWSWCRB-GHMZBOCLSA-N 2 2 381.236 3.907 20 0 GHADLP Cc1c[nH+]c(N(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)nc1N1CCCC1 ZINC001158446432 1034080107 /nfs/dbraw/zinc/08/01/07/1034080107.db2.gz RDYZYNURMCBBIB-UHFFFAOYSA-N 2 2 383.515 3.625 20 0 GHADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001207187046 1034158012 /nfs/dbraw/zinc/15/80/12/1034158012.db2.gz ODSIPKADQSGTMF-IEBWSBKVSA-N 2 2 387.959 3.781 20 0 GHADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001207187046 1034158018 /nfs/dbraw/zinc/15/80/18/1034158018.db2.gz ODSIPKADQSGTMF-IEBWSBKVSA-N 2 2 387.959 3.781 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001207187046 1034158033 /nfs/dbraw/zinc/15/80/33/1034158033.db2.gz ODSIPKADQSGTMF-IEBWSBKVSA-N 2 2 387.959 3.781 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001207187046 1034158041 /nfs/dbraw/zinc/15/80/41/1034158041.db2.gz ODSIPKADQSGTMF-IEBWSBKVSA-N 2 2 387.959 3.781 20 0 GHADLP C[NH+]1CCN(c2cccc(NCc3ccc(C4(C(F)(F)F)N=N4)cc3)[nH+]2)CC1 ZINC001159256243 1034507451 /nfs/dbraw/zinc/50/74/51/1034507451.db2.gz MTQBLEQILXAWDT-UHFFFAOYSA-N 2 2 390.413 3.626 20 0 GHADLP [NH3+]C1CCN(c2[nH+]cccc2NC2=CC[C@@H](OC(=O)c3ccccc3)CC2)CC1 ZINC001159262392 1034510110 /nfs/dbraw/zinc/51/01/10/1034510110.db2.gz WJZVNFZBELWQLJ-HXUWFJFHSA-N 2 2 392.503 3.714 20 0 GHADLP CN(Cc1ccccc1)c1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)c[nH+]1 ZINC001159334500 1034549220 /nfs/dbraw/zinc/54/92/20/1034549220.db2.gz WHGNFLITIVBGBI-HXUWFJFHSA-N 2 2 375.476 3.597 20 0 GHADLP CN(Cc1ccccc1)c1ccc(Nc2cccnc2O[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC001159347021 1034555962 /nfs/dbraw/zinc/55/59/62/1034555962.db2.gz IZIUQXCNPPSBQD-LJQANCHMSA-N 2 2 375.476 3.597 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCC(Cc3c(F)cccc3Cl)CC2)cc1 ZINC001160644190 1035024310 /nfs/dbraw/zinc/02/43/10/1035024310.db2.gz WMTPOCGXTYPLGY-FQEVSTJZSA-N 2 2 389.902 3.533 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCCc3ccccc3Cl)CC2)C1 ZINC001208875532 1035072448 /nfs/dbraw/zinc/07/24/48/1035072448.db2.gz XKZCPJWTUWSQPX-SFHVURJKSA-N 2 2 378.944 3.622 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCCc3ccccc3Cl)CC2)C1 ZINC001208875532 1035072457 /nfs/dbraw/zinc/07/24/57/1035072457.db2.gz XKZCPJWTUWSQPX-SFHVURJKSA-N 2 2 378.944 3.622 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@@H+]2C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208941593 1035109871 /nfs/dbraw/zinc/10/98/71/1035109871.db2.gz MPBXLMMLJJBZJH-PWRODBHTSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@H+]2C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208941593 1035109876 /nfs/dbraw/zinc/10/98/76/1035109876.db2.gz MPBXLMMLJJBZJH-PWRODBHTSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[NH+]2C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208941593 1035109878 /nfs/dbraw/zinc/10/98/78/1035109878.db2.gz MPBXLMMLJJBZJH-PWRODBHTSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[NH+]2C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208941593 1035109882 /nfs/dbraw/zinc/10/98/82/1035109882.db2.gz MPBXLMMLJJBZJH-PWRODBHTSA-N 2 2 385.552 3.592 20 0 GHADLP COC(=O)c1cccc2c1CC[N@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208942424 1035111141 /nfs/dbraw/zinc/11/11/41/1035111141.db2.gz IEMMGVVDJQDWCV-FQEVSTJZSA-N 2 2 378.516 3.744 20 0 GHADLP COC(=O)c1cccc2c1CC[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208942424 1035111142 /nfs/dbraw/zinc/11/11/42/1035111142.db2.gz IEMMGVVDJQDWCV-FQEVSTJZSA-N 2 2 378.516 3.744 20 0 GHADLP COC(=O)c1cccc2c1CC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208942424 1035111145 /nfs/dbraw/zinc/11/11/45/1035111145.db2.gz IEMMGVVDJQDWCV-FQEVSTJZSA-N 2 2 378.516 3.744 20 0 GHADLP COC(=O)c1cccc2c1CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208942424 1035111147 /nfs/dbraw/zinc/11/11/47/1035111147.db2.gz IEMMGVVDJQDWCV-FQEVSTJZSA-N 2 2 378.516 3.744 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCN(c4nccc5ccccc54)CC3)C2)cc1 ZINC001208949257 1035120005 /nfs/dbraw/zinc/12/00/05/1035120005.db2.gz JLNHEFWHOGETGM-QFIPXVFZSA-N 2 2 386.543 3.879 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCN(c4nccc5ccccc54)CC3)C2)cc1 ZINC001208949257 1035120009 /nfs/dbraw/zinc/12/00/09/1035120009.db2.gz JLNHEFWHOGETGM-QFIPXVFZSA-N 2 2 386.543 3.879 20 0 GHADLP Clc1ccc(CN2CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208953653 1035127148 /nfs/dbraw/zinc/12/71/48/1035127148.db2.gz RFUOUKPOERGOGX-QFIPXVFZSA-N 2 2 383.967 3.980 20 0 GHADLP Clc1ccc(CN2CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208953653 1035127154 /nfs/dbraw/zinc/12/71/54/1035127154.db2.gz RFUOUKPOERGOGX-QFIPXVFZSA-N 2 2 383.967 3.980 20 0 GHADLP Clc1ccc(C[NH+]2CCN(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208953653 1035127162 /nfs/dbraw/zinc/12/71/62/1035127162.db2.gz RFUOUKPOERGOGX-QFIPXVFZSA-N 2 2 383.967 3.980 20 0 GHADLP Clc1ccc(C[NH+]2CCN(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208953653 1035127167 /nfs/dbraw/zinc/12/71/67/1035127167.db2.gz RFUOUKPOERGOGX-QFIPXVFZSA-N 2 2 383.967 3.980 20 0 GHADLP CC(C)(C)OC(=O)N1CC([N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C2CC2)C1 ZINC001208955027 1035127980 /nfs/dbraw/zinc/12/79/80/1035127980.db2.gz XRUCBVUBRSHJPW-IBGZPJMESA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1CC([N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C2CC2)C1 ZINC001208955027 1035127989 /nfs/dbraw/zinc/12/79/89/1035127989.db2.gz XRUCBVUBRSHJPW-IBGZPJMESA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1CC([NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)C1 ZINC001208955027 1035127995 /nfs/dbraw/zinc/12/79/95/1035127995.db2.gz XRUCBVUBRSHJPW-IBGZPJMESA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1CC([NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)C1 ZINC001208955027 1035128001 /nfs/dbraw/zinc/12/80/01/1035128001.db2.gz XRUCBVUBRSHJPW-IBGZPJMESA-N 2 2 385.552 3.592 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[NH+](C[C@H]4CC[N@H+](Cc5ccccc5)C4)CC[C@@H]3C2)cc1 ZINC001208956850 1035129971 /nfs/dbraw/zinc/12/99/71/1035129971.db2.gz JCCGOZDHPFSDGR-JIMJEQGWSA-N 3 2 389.587 3.962 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[NH+](C[C@H]4CC[N@@H+](Cc5ccccc5)C4)CC[C@@H]3C2)cc1 ZINC001208956850 1035129973 /nfs/dbraw/zinc/12/99/73/1035129973.db2.gz JCCGOZDHPFSDGR-JIMJEQGWSA-N 3 2 389.587 3.962 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)C2)cc1 ZINC001208956850 1035129976 /nfs/dbraw/zinc/12/99/76/1035129976.db2.gz JCCGOZDHPFSDGR-JIMJEQGWSA-N 3 2 389.587 3.962 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)C2)cc1 ZINC001208956850 1035129979 /nfs/dbraw/zinc/12/99/79/1035129979.db2.gz JCCGOZDHPFSDGR-JIMJEQGWSA-N 3 2 389.587 3.962 20 0 GHADLP COC(=O)CCCCCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001209093986 1035169957 /nfs/dbraw/zinc/16/99/57/1035169957.db2.gz CCBZVVINRANTMG-SZPZYZBQSA-N 2 2 387.568 3.739 20 0 GHADLP COC(=O)CCCCCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001209093986 1035169960 /nfs/dbraw/zinc/16/99/60/1035169960.db2.gz CCBZVVINRANTMG-SZPZYZBQSA-N 2 2 387.568 3.739 20 0 GHADLP COC(=O)CCCCCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001209093986 1035169968 /nfs/dbraw/zinc/16/99/68/1035169968.db2.gz CCBZVVINRANTMG-SZPZYZBQSA-N 2 2 387.568 3.739 20 0 GHADLP COC(=O)CCCCCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001209093986 1035169973 /nfs/dbraw/zinc/16/99/73/1035169973.db2.gz CCBZVVINRANTMG-SZPZYZBQSA-N 2 2 387.568 3.739 20 0 GHADLP FC(F)(F)c1ccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001209125029 1035183938 /nfs/dbraw/zinc/18/39/38/1035183938.db2.gz STVUCBVFOYCTOH-HDICACEKSA-N 2 2 375.438 3.707 20 0 GHADLP FC(F)(F)c1ccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001209125029 1035183941 /nfs/dbraw/zinc/18/39/41/1035183941.db2.gz STVUCBVFOYCTOH-HDICACEKSA-N 2 2 375.438 3.707 20 0 GHADLP FC(F)(F)c1ccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001209125029 1035183943 /nfs/dbraw/zinc/18/39/43/1035183943.db2.gz STVUCBVFOYCTOH-HDICACEKSA-N 2 2 375.438 3.707 20 0 GHADLP FC(F)(F)c1ccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001209125029 1035183946 /nfs/dbraw/zinc/18/39/46/1035183946.db2.gz STVUCBVFOYCTOH-HDICACEKSA-N 2 2 375.438 3.707 20 0 GHADLP C[C@@H]1C[C@@H](C[NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)C[C@H](C)O1 ZINC001209400105 1035269079 /nfs/dbraw/zinc/26/90/79/1035269079.db2.gz XGMPCXUADLVKIT-BTTYYORXSA-N 2 2 378.314 3.700 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC001209602260 1035326371 /nfs/dbraw/zinc/32/63/71/1035326371.db2.gz KQRJTHICQPSZIB-UHFFFAOYSA-N 2 2 383.536 3.905 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC001209602260 1035326377 /nfs/dbraw/zinc/32/63/77/1035326377.db2.gz KQRJTHICQPSZIB-UHFFFAOYSA-N 2 2 383.536 3.905 20 0 GHADLP [NH3+][C@@H](CCC1CCCCC1)c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC001248240844 1035685739 /nfs/dbraw/zinc/68/57/39/1035685739.db2.gz DHCVLDOEXFWMIL-FQEVSTJZSA-N 2 2 384.524 3.929 20 0 GHADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(I)s2)CC1 ZINC001462041557 1069962835 /nfs/dbraw/zinc/96/28/35/1069962835.db2.gz UMCZFIHRVBIMDE-UHFFFAOYSA-N 2 2 378.323 3.657 20 0 GHADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(I)s2)CC1 ZINC001462041557 1069962837 /nfs/dbraw/zinc/96/28/37/1069962837.db2.gz UMCZFIHRVBIMDE-UHFFFAOYSA-N 2 2 378.323 3.657 20 0 GHADLP Cc1ccc2c(C[NH+]3CCC4(CCC[N@H+]4Cc4ccn(C)n4)CC3)cccc2n1 ZINC001248565053 1035960344 /nfs/dbraw/zinc/96/03/44/1035960344.db2.gz IPRFRGVXHIOJGQ-UHFFFAOYSA-N 2 2 389.547 3.907 20 0 GHADLP Cc1ccc2c(C[NH+]3CCC4(CCC[N@@H+]4Cc4ccn(C)n4)CC3)cccc2n1 ZINC001248565053 1035960352 /nfs/dbraw/zinc/96/03/52/1035960352.db2.gz IPRFRGVXHIOJGQ-UHFFFAOYSA-N 2 2 389.547 3.907 20 0 GHADLP Fc1cc(OCC[NH+]2CCOCC2)ccc1-c1cnccc1C[NH+]1CCCCC1 ZINC001244135899 1036390059 /nfs/dbraw/zinc/39/00/59/1036390059.db2.gz OMLCPGSLLOAXCS-UHFFFAOYSA-N 2 2 399.510 3.585 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl ZINC001245974065 1037099511 /nfs/dbraw/zinc/09/95/11/1037099511.db2.gz KORRIUSZBFKUAS-KTTLUUMZSA-N 2 2 389.273 3.853 20 0 GHADLP C[C@@H](OC(C)(C)C)[C@H]([NH2+]C1CCC2(CCC[NH2+]C2)CC1)C(=O)OC(C)(C)C ZINC001246087718 1037192139 /nfs/dbraw/zinc/19/21/39/1037192139.db2.gz YGYXXKRSBQSFMR-SFUYWUKASA-N 2 2 382.589 3.802 20 0 GHADLP CSc1ccccc1C[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001462176252 1070054385 /nfs/dbraw/zinc/05/43/85/1070054385.db2.gz MUZZMIYNAUANPN-UHFFFAOYSA-N 2 2 386.561 3.752 20 0 GHADLP CSc1ccccc1C[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001462176252 1070054398 /nfs/dbraw/zinc/05/43/98/1070054398.db2.gz MUZZMIYNAUANPN-UHFFFAOYSA-N 2 2 386.561 3.752 20 0 GHADLP [NH3+]C1(Cc2ccccc2F)CC[NH+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246422509 1037378647 /nfs/dbraw/zinc/37/86/47/1037378647.db2.gz UKYXZORXHDIJPV-FGZHOGPDSA-N 3 2 381.539 3.525 20 0 GHADLP COc1cc(NC(=O)C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc2ccccc21 ZINC001246487280 1037433315 /nfs/dbraw/zinc/43/33/15/1037433315.db2.gz KVYRGGOSMKETSR-UGKGYDQZSA-N 2 2 389.499 3.870 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CC[C@@]23CCC[NH2+]C3)CC1 ZINC001246607435 1037501670 /nfs/dbraw/zinc/50/16/70/1037501670.db2.gz SYEATHPTLVYGSZ-VEDCXYSMSA-N 2 2 376.928 3.521 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@@]23CCC[NH2+]C3)CC1 ZINC001246607435 1037501689 /nfs/dbraw/zinc/50/16/89/1037501689.db2.gz SYEATHPTLVYGSZ-VEDCXYSMSA-N 2 2 376.928 3.521 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@H]([N@@H+]2CCOCC24CC[NH2+]CC4)CC3)cc1 ZINC001246643006 1037526585 /nfs/dbraw/zinc/52/65/85/1037526585.db2.gz LKIYBGRIZXMYPU-HSZRJFAPSA-N 2 2 392.543 3.577 20 0 GHADLP c1ccc(COc2ccc3c(c2)C[C@H]([N@H+]2CCOCC24CC[NH2+]CC4)CC3)cc1 ZINC001246643006 1037526595 /nfs/dbraw/zinc/52/65/95/1037526595.db2.gz LKIYBGRIZXMYPU-HSZRJFAPSA-N 2 2 392.543 3.577 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001462194997 1070072520 /nfs/dbraw/zinc/07/25/20/1070072520.db2.gz FCIBVHMUMXHWMZ-NRFANRHFSA-N 2 2 387.568 3.745 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001462194997 1070072538 /nfs/dbraw/zinc/07/25/38/1070072538.db2.gz FCIBVHMUMXHWMZ-NRFANRHFSA-N 2 2 387.568 3.745 20 0 GHADLP CC(C)[C@@H]1C[C@H]([NH+]2CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC2)CC[NH2+]1 ZINC001246787241 1037626672 /nfs/dbraw/zinc/62/66/72/1037626672.db2.gz KUJJNAPXULPREG-HIFRSBDPSA-N 2 2 390.881 3.652 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246792738 1037632699 /nfs/dbraw/zinc/63/26/99/1037632699.db2.gz WMWRCXTZYUJKQK-VGOFRKELSA-N 2 2 385.502 3.812 20 0 GHADLP C[C@@H]1C[C@H](N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246792738 1037632710 /nfs/dbraw/zinc/63/27/10/1037632710.db2.gz WMWRCXTZYUJKQK-VGOFRKELSA-N 2 2 385.502 3.812 20 0 GHADLP c1ccc(C[C@H]2C[C@@H]([NH+]3CCN(c4nccc5ccccc54)CC3)CC[NH2+]2)cc1 ZINC001246811199 1037645167 /nfs/dbraw/zinc/64/51/67/1037645167.db2.gz ORTNNZCGBSRQPF-GOTSBHOMSA-N 2 2 386.543 3.720 20 0 GHADLP C[NH2+]C1CCC([N@@H+]2CCN3C(=O)c4ccccc4[C@@]32c2ccc(Cl)cc2)CC1 ZINC001246857998 1037680362 /nfs/dbraw/zinc/68/03/62/1037680362.db2.gz AEQJYXXDNBSYLU-MTNXOHHFSA-N 2 2 395.934 3.843 20 0 GHADLP C[NH2+]C1CCC([N@H+]2CCN3C(=O)c4ccccc4[C@@]32c2ccc(Cl)cc2)CC1 ZINC001246857998 1037680370 /nfs/dbraw/zinc/68/03/70/1037680370.db2.gz AEQJYXXDNBSYLU-MTNXOHHFSA-N 2 2 395.934 3.843 20 0 GHADLP c1ccc([C@H]2C[C@H]([NH+]3CCC(Oc4cnc5ccccc5n4)CC3)CC[NH2+]2)cc1 ZINC001246876817 1037690373 /nfs/dbraw/zinc/69/03/73/1037690373.db2.gz MYKZLTHGMIEWAF-AUSIDOKSSA-N 2 2 388.515 3.966 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+]([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)C[C@H]3C2)cc1 ZINC001246894762 1037710858 /nfs/dbraw/zinc/71/08/58/1037710858.db2.gz PWXBHMMQSDDYTQ-ZYQDXHPFSA-N 3 2 375.560 3.934 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[NH+]([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)C[C@H]3C2)cc1 ZINC001246894762 1037710870 /nfs/dbraw/zinc/71/08/70/1037710870.db2.gz PWXBHMMQSDDYTQ-ZYQDXHPFSA-N 3 2 375.560 3.934 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+]([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)C[C@H]3C2)cc1 ZINC001246894762 1037710893 /nfs/dbraw/zinc/71/08/93/1037710893.db2.gz PWXBHMMQSDDYTQ-ZYQDXHPFSA-N 3 2 375.560 3.934 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3CC[N@H+]([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)C[C@H]3C2)cc1 ZINC001246894762 1037710916 /nfs/dbraw/zinc/71/09/16/1037710916.db2.gz PWXBHMMQSDDYTQ-ZYQDXHPFSA-N 3 2 375.560 3.934 20 0 GHADLP COc1cccc2c1C[C@H]([N@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1)CO2 ZINC001246955510 1037765935 /nfs/dbraw/zinc/76/59/35/1037765935.db2.gz MYYLAZKLHGUGAM-KRWDZBQOSA-N 2 2 388.458 3.531 20 0 GHADLP COc1cccc2c1C[C@H]([N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1)CO2 ZINC001246955510 1037765965 /nfs/dbraw/zinc/76/59/65/1037765965.db2.gz MYYLAZKLHGUGAM-KRWDZBQOSA-N 2 2 388.458 3.531 20 0 GHADLP CC(C)(C)[C@@H]1C[C@@H](N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)CC[NH2+]1 ZINC001246988617 1037810974 /nfs/dbraw/zinc/81/09/74/1037810974.db2.gz IJGGYDBRBHMLRY-GBESFXJTSA-N 2 2 383.502 3.902 20 0 GHADLP CC(C)(C)[C@@H]1C[C@@H](N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)CC[NH2+]1 ZINC001246988617 1037810988 /nfs/dbraw/zinc/81/09/88/1037810988.db2.gz IJGGYDBRBHMLRY-GBESFXJTSA-N 2 2 383.502 3.902 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247006483 1037830079 /nfs/dbraw/zinc/83/00/79/1037830079.db2.gz ABPUINILTONNQE-JTDLUGEMSA-N 2 2 390.955 3.767 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247006483 1037830090 /nfs/dbraw/zinc/83/00/90/1037830090.db2.gz ABPUINILTONNQE-JTDLUGEMSA-N 2 2 390.955 3.767 20 0 GHADLP [NH3+][C@@H](Cc1ccsc1)c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001247220399 1037999214 /nfs/dbraw/zinc/99/92/14/1037999214.db2.gz GMTCFCNXCBCRHF-ZWKOTPCHSA-N 2 2 395.463 3.912 20 0 GHADLP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(C)n1 ZINC001232311709 1038070378 /nfs/dbraw/zinc/07/03/78/1038070378.db2.gz MFIZLIVPJAATGV-MDNUFGMLSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(C)n1 ZINC001232311709 1038070401 /nfs/dbraw/zinc/07/04/01/1038070401.db2.gz MFIZLIVPJAATGV-MDNUFGMLSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(C)n1 ZINC001232311709 1038070404 /nfs/dbraw/zinc/07/04/04/1038070404.db2.gz MFIZLIVPJAATGV-MDNUFGMLSA-N 2 2 394.563 3.916 20 0 GHADLP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(C)n1 ZINC001232311709 1038070427 /nfs/dbraw/zinc/07/04/27/1038070427.db2.gz MFIZLIVPJAATGV-MDNUFGMLSA-N 2 2 394.563 3.916 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(C)n1 ZINC001232334232 1038116059 /nfs/dbraw/zinc/11/60/59/1038116059.db2.gz WMUMOXAMBKJPHA-KSEOMHKRSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(C)n1 ZINC001232334232 1038116065 /nfs/dbraw/zinc/11/60/65/1038116065.db2.gz WMUMOXAMBKJPHA-KSEOMHKRSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(C)n1 ZINC001232334232 1038116070 /nfs/dbraw/zinc/11/60/70/1038116070.db2.gz WMUMOXAMBKJPHA-KSEOMHKRSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(C)n1 ZINC001232334232 1038116079 /nfs/dbraw/zinc/11/60/79/1038116079.db2.gz WMUMOXAMBKJPHA-KSEOMHKRSA-N 2 2 380.536 3.526 20 0 GHADLP CCOC(=O)c1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c(Cl)c1 ZINC001232593807 1038367355 /nfs/dbraw/zinc/36/73/55/1038367355.db2.gz XTZKSBCTMFBMMG-UHFFFAOYSA-N 2 2 387.911 3.959 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2cccc4c2CCCC4)CC3)n1 ZINC001232636832 1038423163 /nfs/dbraw/zinc/42/31/63/1038423163.db2.gz ICUKFGDIQWCUHQ-UHFFFAOYSA-N 2 2 378.564 3.930 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2cccc4c2CCCC4)CC3)n1 ZINC001232636832 1038423168 /nfs/dbraw/zinc/42/31/68/1038423168.db2.gz ICUKFGDIQWCUHQ-UHFFFAOYSA-N 2 2 378.564 3.930 20 0 GHADLP Clc1ccc(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c(Br)c1 ZINC001247859928 1038430654 /nfs/dbraw/zinc/43/06/54/1038430654.db2.gz JWXOEMYPNJFKOX-CYBMUJFWSA-N 2 2 397.704 3.699 20 0 GHADLP Clc1cccc(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c1Br ZINC001247868302 1038437630 /nfs/dbraw/zinc/43/76/30/1038437630.db2.gz ORIWTCVOXIPKSI-LBPRGKRZSA-N 2 2 397.704 3.699 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccc(C(C)(C)O)nc1)CC2 ZINC001232825645 1038579061 /nfs/dbraw/zinc/57/90/61/1038579061.db2.gz XUJDZVMRAJRGCL-UHFFFAOYSA-N 2 2 398.551 3.544 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccc(C(C)(C)O)nc1)CC2 ZINC001232825645 1038579064 /nfs/dbraw/zinc/57/90/64/1038579064.db2.gz XUJDZVMRAJRGCL-UHFFFAOYSA-N 2 2 398.551 3.544 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1n[nH]c3cc(F)ccc31)CC2 ZINC001233121311 1038908565 /nfs/dbraw/zinc/90/85/65/1038908565.db2.gz FVVUIMYPZSIOBN-QGZVFWFLSA-N 2 2 398.482 3.551 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1n[nH]c3cc(F)ccc31)CC2 ZINC001233121311 1038908568 /nfs/dbraw/zinc/90/85/68/1038908568.db2.gz FVVUIMYPZSIOBN-QGZVFWFLSA-N 2 2 398.482 3.551 20 0 GHADLP Cc1c(Br)ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1C ZINC001233221395 1038982562 /nfs/dbraw/zinc/98/25/62/1038982562.db2.gz QMKJWALDBDHKBN-UHFFFAOYSA-N 2 2 380.330 3.696 20 0 GHADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC001233294878 1039082647 /nfs/dbraw/zinc/08/26/47/1039082647.db2.gz CUPRQCPCNAYMLQ-UHFFFAOYSA-N 2 2 395.478 3.882 20 0 GHADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC001233294878 1039082666 /nfs/dbraw/zinc/08/26/66/1039082666.db2.gz CUPRQCPCNAYMLQ-UHFFFAOYSA-N 2 2 395.478 3.882 20 0 GHADLP Cc1cc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[nH+]c(C)c1Br ZINC001252916014 1039254359 /nfs/dbraw/zinc/25/43/59/1039254359.db2.gz MGTFTUCHJRLTDW-LJQANCHMSA-N 2 2 390.325 3.510 20 0 GHADLP Cc1cc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[nH+]c(C)c1Br ZINC001252916014 1039254367 /nfs/dbraw/zinc/25/43/67/1039254367.db2.gz MGTFTUCHJRLTDW-LJQANCHMSA-N 2 2 390.325 3.510 20 0 GHADLP O[C@]1(C[NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948053 1039291157 /nfs/dbraw/zinc/29/11/57/1039291157.db2.gz IZPHROCWMJUHTM-RPWUZVMVSA-N 2 2 398.522 3.520 20 0 GHADLP O[C@]1(C[NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948053 1039291172 /nfs/dbraw/zinc/29/11/72/1039291172.db2.gz IZPHROCWMJUHTM-RPWUZVMVSA-N 2 2 398.522 3.520 20 0 GHADLP CCOC(=O)c1cn2cccc(C[N@H+](C)C3CC[NH+](C4CCCCC4)CC3)c2n1 ZINC001233460745 1039352473 /nfs/dbraw/zinc/35/24/73/1039352473.db2.gz QWFYLVANDSZGOW-UHFFFAOYSA-N 2 2 398.551 3.740 20 0 GHADLP CCOC(=O)c1cn2cccc(C[N@@H+](C)C3CC[NH+](C4CCCCC4)CC3)c2n1 ZINC001233460745 1039352487 /nfs/dbraw/zinc/35/24/87/1039352487.db2.gz QWFYLVANDSZGOW-UHFFFAOYSA-N 2 2 398.551 3.740 20 0 GHADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC001253216925 1039478097 /nfs/dbraw/zinc/47/80/97/1039478097.db2.gz QLJNRJBLGQECFE-VXKWHMMOSA-N 2 2 390.955 3.890 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC001253360157 1039572847 /nfs/dbraw/zinc/57/28/47/1039572847.db2.gz BZYLCVCRXJNPRV-NRFANRHFSA-N 2 2 378.438 3.734 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC001253360157 1039572863 /nfs/dbraw/zinc/57/28/63/1039572863.db2.gz BZYLCVCRXJNPRV-NRFANRHFSA-N 2 2 378.438 3.734 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001462384139 1070216477 /nfs/dbraw/zinc/21/64/77/1070216477.db2.gz CDZKTMQZFXAXTP-JLSDUUJJSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001462384139 1070216486 /nfs/dbraw/zinc/21/64/86/1070216486.db2.gz CDZKTMQZFXAXTP-JLSDUUJJSA-N 2 2 394.357 3.773 20 0 GHADLP CC(C)Oc1ccccc1OC[C@H](O)C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001254005370 1039947434 /nfs/dbraw/zinc/94/74/34/1039947434.db2.gz IZZDSVQFOJIWSS-OAQYLSRUSA-N 2 2 390.568 3.552 20 0 GHADLP CC(C)Oc1ccccc1OC[C@H](O)C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001254005370 1039947437 /nfs/dbraw/zinc/94/74/37/1039947437.db2.gz IZZDSVQFOJIWSS-OAQYLSRUSA-N 2 2 390.568 3.552 20 0 GHADLP C[N@@H+]1CCc2c(cccc2O[C@H]2CCC[NH+](Cc3cnc(Cl)s3)C2)C1 ZINC001234422365 1040022722 /nfs/dbraw/zinc/02/27/22/1040022722.db2.gz IDHAXAVOXVFBEY-HNNXBMFYSA-N 2 2 377.941 3.828 20 0 GHADLP C[NH+]1CCc2c(cccc2O[C@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)C1 ZINC001234422365 1040022755 /nfs/dbraw/zinc/02/27/55/1040022755.db2.gz IDHAXAVOXVFBEY-HNNXBMFYSA-N 2 2 377.941 3.828 20 0 GHADLP C[NH+]1CCc2c(cccc2O[C@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)C1 ZINC001234422365 1040022768 /nfs/dbraw/zinc/02/27/68/1040022768.db2.gz IDHAXAVOXVFBEY-HNNXBMFYSA-N 2 2 377.941 3.828 20 0 GHADLP C[N@@H+]1CCC[C@@H]([NH+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC001254518541 1040293592 /nfs/dbraw/zinc/29/35/92/1040293592.db2.gz BXPNRXQDRNWWPU-GIVPXCGWSA-N 2 2 385.552 3.689 20 0 GHADLP C[N@H+]1CCC[C@@H]([NH+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC001254518541 1040293600 /nfs/dbraw/zinc/29/36/00/1040293600.db2.gz BXPNRXQDRNWWPU-GIVPXCGWSA-N 2 2 385.552 3.689 20 0 GHADLP C[NH+]1CCC[C@@H]([N@@H+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC001254518541 1040293619 /nfs/dbraw/zinc/29/36/19/1040293619.db2.gz BXPNRXQDRNWWPU-GIVPXCGWSA-N 2 2 385.552 3.689 20 0 GHADLP C[NH+]1CCC[C@@H]([N@H+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC001254518541 1040293628 /nfs/dbraw/zinc/29/36/28/1040293628.db2.gz BXPNRXQDRNWWPU-GIVPXCGWSA-N 2 2 385.552 3.689 20 0 GHADLP CCOC(OCC)c1ccc(C[NH+]2CCC([N@H+](CC)[C@@H]3CCOC3)CC2)cc1 ZINC001234893073 1040405572 /nfs/dbraw/zinc/40/55/72/1040405572.db2.gz XHUIFUDBINVQLB-JOCHJYFZSA-N 2 2 390.568 3.833 20 0 GHADLP CCOC(OCC)c1ccc(C[NH+]2CCC([N@@H+](CC)[C@@H]3CCOC3)CC2)cc1 ZINC001234893073 1040405583 /nfs/dbraw/zinc/40/55/83/1040405583.db2.gz XHUIFUDBINVQLB-JOCHJYFZSA-N 2 2 390.568 3.833 20 0 GHADLP FC(F)(F)c1cccc(Oc2cccc(C[N@@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)c2)c1 ZINC001234976094 1040479365 /nfs/dbraw/zinc/47/93/65/1040479365.db2.gz TZICVLIWDLTJCR-OXQOHEQNSA-N 2 2 392.421 3.918 20 0 GHADLP FC(F)(F)c1cccc(Oc2cccc(C[N@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)c2)c1 ZINC001234976094 1040479379 /nfs/dbraw/zinc/47/93/79/1040479379.db2.gz TZICVLIWDLTJCR-OXQOHEQNSA-N 2 2 392.421 3.918 20 0 GHADLP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ncc(F)cn2)CC3)c1 ZINC001235010088 1040501359 /nfs/dbraw/zinc/50/13/59/1040501359.db2.gz LEOULLGSEQGPLZ-UHFFFAOYSA-N 2 2 384.499 3.503 20 0 GHADLP CC[N@H+]([C@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1CC[NH+](C)CC1 ZINC001254747782 1040508374 /nfs/dbraw/zinc/50/83/74/1040508374.db2.gz FCZGSYNHSKKVEX-IBGZPJMESA-N 2 2 379.589 3.972 20 0 GHADLP CC[N@@H+]([C@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1CC[NH+](C)CC1 ZINC001254747782 1040508394 /nfs/dbraw/zinc/50/83/94/1040508394.db2.gz FCZGSYNHSKKVEX-IBGZPJMESA-N 2 2 379.589 3.972 20 0 GHADLP C[N@H+](C1CC1)C1CCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC1 ZINC001235034574 1040526990 /nfs/dbraw/zinc/52/69/90/1040526990.db2.gz OWANPUQQNXWKIH-UHFFFAOYSA-N 2 2 389.341 3.693 20 0 GHADLP C[N@@H+](C1CC1)C1CCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC1 ZINC001235034574 1040527011 /nfs/dbraw/zinc/52/70/11/1040527011.db2.gz OWANPUQQNXWKIH-UHFFFAOYSA-N 2 2 389.341 3.693 20 0 GHADLP Cc1c(I)cccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038620 1040531260 /nfs/dbraw/zinc/53/12/60/1040531260.db2.gz OTPNGLIGMUKYFP-QGZVFWFLSA-N 2 2 384.305 3.708 20 0 GHADLP Cc1c(I)cccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038620 1040531279 /nfs/dbraw/zinc/53/12/79/1040531279.db2.gz OTPNGLIGMUKYFP-QGZVFWFLSA-N 2 2 384.305 3.708 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](n1c[nH+]cc1-c1ccc(C[NH3+])cc1)C2 ZINC001254772964 1040534552 /nfs/dbraw/zinc/53/45/52/1040534552.db2.gz NJOBTOWRWYGCAP-SFHVURJKSA-N 2 2 382.508 3.971 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(Oc5cccnc5)cc4)C[C@@H]3C2)nc1 ZINC001235113352 1040599245 /nfs/dbraw/zinc/59/92/45/1040599245.db2.gz YJFMEXYOSCUSDM-NHCUHLMSSA-N 2 2 386.499 3.833 20 0 GHADLP O=C1CC2(CC[NH+]([C@@H]3CC4CC[NH+](CC4)C3)CC2)c2ccccc2N1CC1CC1 ZINC001254859250 1040604260 /nfs/dbraw/zinc/60/42/60/1040604260.db2.gz KLTNZLDMPRFPEK-OAQYLSRUSA-N 2 2 393.575 3.651 20 0 GHADLP Fc1ccc(COc2ccc(C[N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C(F)(F)F)C3)cc2)cc1 ZINC001235223114 1040705346 /nfs/dbraw/zinc/70/53/46/1040705346.db2.gz ACFNTWPSRPTFPG-PXNSSMCTSA-N 2 2 394.412 3.988 20 0 GHADLP Fc1ccc(COc2ccc(C[N@H+]3C[C@@H]4C[NH2+]C[C@]4(C(F)(F)F)C3)cc2)cc1 ZINC001235223114 1040705358 /nfs/dbraw/zinc/70/53/58/1040705358.db2.gz ACFNTWPSRPTFPG-PXNSSMCTSA-N 2 2 394.412 3.988 20 0 GHADLP COc1cc(Br)cc(F)c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235240410 1040721403 /nfs/dbraw/zinc/72/14/03/1040721403.db2.gz MUOQFIXXWOLPOI-KRWDZBQOSA-N 2 2 385.321 3.951 20 0 GHADLP Cc1ccc(-c2cccc(C[N@@H+]3CCCn4nnc(Cn5cc[nH+]c5)c4C3)c2)cc1 ZINC001235312375 1040787069 /nfs/dbraw/zinc/78/70/69/1040787069.db2.gz SJJHZPZVAMVUTH-UHFFFAOYSA-N 2 2 398.514 3.904 20 0 GHADLP Cc1ccc(-c2cccc(C[N@H+]3CCCn4nnc(Cn5cc[nH+]c5)c4C3)c2)cc1 ZINC001235312375 1040787087 /nfs/dbraw/zinc/78/70/87/1040787087.db2.gz SJJHZPZVAMVUTH-UHFFFAOYSA-N 2 2 398.514 3.904 20 0 GHADLP O=C1Nc2cc(Cl)ccc2C[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255128359 1040823006 /nfs/dbraw/zinc/82/30/06/1040823006.db2.gz BTUKUCLAHWXCNG-XAPVIXHLSA-N 2 2 395.934 3.988 20 0 GHADLP O=C1Nc2cc(Cl)ccc2C[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255128359 1040823012 /nfs/dbraw/zinc/82/30/12/1040823012.db2.gz BTUKUCLAHWXCNG-XAPVIXHLSA-N 2 2 395.934 3.988 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2cc(OC4CCC4)ncn2)C3)cc1 ZINC001255133316 1040831543 /nfs/dbraw/zinc/83/15/43/1040831543.db2.gz RSGAMGWNHRKTDG-NUZGMZIFSA-N 2 2 378.520 3.693 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2cc(OC4CCC4)ncn2)C3)cc1 ZINC001255133316 1040831557 /nfs/dbraw/zinc/83/15/57/1040831557.db2.gz RSGAMGWNHRKTDG-NUZGMZIFSA-N 2 2 378.520 3.693 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCc4cc5c(cc4C2)OCO5)C3)cc1 ZINC001255136606 1040839734 /nfs/dbraw/zinc/83/97/34/1040839734.db2.gz MMJRUDHXZUAWLN-ZBYYUNFXSA-N 2 2 376.500 3.969 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCc4cc5c(cc4C2)OCO5)C3)cc1 ZINC001255136606 1040839749 /nfs/dbraw/zinc/83/97/49/1040839749.db2.gz MMJRUDHXZUAWLN-ZBYYUNFXSA-N 2 2 376.500 3.969 20 0 GHADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2CCc4cc5c(cc4C2)OCO5)C3)cc1 ZINC001255136606 1040839766 /nfs/dbraw/zinc/83/97/66/1040839766.db2.gz MMJRUDHXZUAWLN-ZBYYUNFXSA-N 2 2 376.500 3.969 20 0 GHADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CCc4cc5c(cc4C2)OCO5)C3)cc1 ZINC001255136606 1040839772 /nfs/dbraw/zinc/83/97/72/1040839772.db2.gz MMJRUDHXZUAWLN-ZBYYUNFXSA-N 2 2 376.500 3.969 20 0 GHADLP CC(C)Sc1nccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)n1 ZINC001235379072 1040897198 /nfs/dbraw/zinc/89/71/98/1040897198.db2.gz GEIRAWXLVAKNCE-KNQAVFIVSA-N 2 2 382.577 3.730 20 0 GHADLP CC(C)Sc1nccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)n1 ZINC001235379072 1040897212 /nfs/dbraw/zinc/89/72/12/1040897212.db2.gz GEIRAWXLVAKNCE-KNQAVFIVSA-N 2 2 382.577 3.730 20 0 GHADLP FC(F)Oc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1OCC1CC1 ZINC001235405594 1040917351 /nfs/dbraw/zinc/91/73/51/1040917351.db2.gz OHJWAZVUZCWCOR-QUCCMNQESA-N 2 2 384.442 3.600 20 0 GHADLP FC(F)Oc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1OCC1CC1 ZINC001235405594 1040917366 /nfs/dbraw/zinc/91/73/66/1040917366.db2.gz OHJWAZVUZCWCOR-QUCCMNQESA-N 2 2 384.442 3.600 20 0 GHADLP FC(F)Oc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1OCC1CC1 ZINC001235405592 1040917801 /nfs/dbraw/zinc/91/78/01/1040917801.db2.gz OHJWAZVUZCWCOR-ICSRJNTNSA-N 2 2 384.442 3.600 20 0 GHADLP FC(F)Oc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1OCC1CC1 ZINC001235405592 1040917805 /nfs/dbraw/zinc/91/78/05/1040917805.db2.gz OHJWAZVUZCWCOR-ICSRJNTNSA-N 2 2 384.442 3.600 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](C4CCC(C)(C)CC4)CC[C@@H]3C2)cs1 ZINC001255306195 1040942362 /nfs/dbraw/zinc/94/23/62/1040942362.db2.gz BAPSEBUHKIZZHX-YLJYHZDGSA-N 2 2 377.598 3.943 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](C4CCC(C)(C)CC4)CC[C@@H]3C2)cs1 ZINC001255306195 1040942364 /nfs/dbraw/zinc/94/23/64/1040942364.db2.gz BAPSEBUHKIZZHX-YLJYHZDGSA-N 2 2 377.598 3.943 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](C4CCC(C)(C)CC4)CC[C@@H]3C2)cs1 ZINC001255306195 1040942365 /nfs/dbraw/zinc/94/23/65/1040942365.db2.gz BAPSEBUHKIZZHX-YLJYHZDGSA-N 2 2 377.598 3.943 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](C4CCC(C)(C)CC4)CC[C@@H]3C2)cs1 ZINC001255306195 1040942367 /nfs/dbraw/zinc/94/23/67/1040942367.db2.gz BAPSEBUHKIZZHX-YLJYHZDGSA-N 2 2 377.598 3.943 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)C1 ZINC001255352087 1040957270 /nfs/dbraw/zinc/95/72/70/1040957270.db2.gz ZKTUJIURWIQOGA-DYESRHJHSA-N 2 2 376.516 3.810 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2c[nH]c4cnc(Cl)cc24)CC3)n1 ZINC001235505637 1040965641 /nfs/dbraw/zinc/96/56/41/1040965641.db2.gz IINFIWZQIVNJHI-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2c[nH]c4cnc(Cl)cc24)CC3)n1 ZINC001235505637 1040965645 /nfs/dbraw/zinc/96/56/45/1040965645.db2.gz IINFIWZQIVNJHI-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP COc1ccc(CN2CC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255404380 1040991557 /nfs/dbraw/zinc/99/15/57/1040991557.db2.gz RWWAOJPZTWSJLL-DEOSSOPVSA-N 2 2 393.575 3.868 20 0 GHADLP COc1ccc(CN2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255404380 1040991558 /nfs/dbraw/zinc/99/15/58/1040991558.db2.gz RWWAOJPZTWSJLL-DEOSSOPVSA-N 2 2 393.575 3.868 20 0 GHADLP CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)c2ccccc21 ZINC001235615480 1041037938 /nfs/dbraw/zinc/03/79/38/1041037938.db2.gz MATYMTLHSOYNGV-SFTDATJTSA-N 2 2 397.607 3.908 20 0 GHADLP CCOc1cc(F)cc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c1 ZINC001235648755 1041090223 /nfs/dbraw/zinc/09/02/23/1041090223.db2.gz KIHPVTSXAMJNSN-UHFFFAOYSA-N 2 2 386.515 3.859 20 0 GHADLP CCOc1cc(F)cc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c1 ZINC001235648755 1041090239 /nfs/dbraw/zinc/09/02/39/1041090239.db2.gz KIHPVTSXAMJNSN-UHFFFAOYSA-N 2 2 386.515 3.859 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1nc3cc(F)ccc3[nH]1)CC2 ZINC001235689410 1041161995 /nfs/dbraw/zinc/16/19/95/1041161995.db2.gz PJQZKUBGCFIPEK-KRWDZBQOSA-N 2 2 398.482 3.551 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1nc3cc(F)ccc3[nH]1)CC2 ZINC001235689410 1041162012 /nfs/dbraw/zinc/16/20/12/1041162012.db2.gz PJQZKUBGCFIPEK-KRWDZBQOSA-N 2 2 398.482 3.551 20 0 GHADLP Nc1ccc(OC(F)(F)F)cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001235790049 1041280554 /nfs/dbraw/zinc/28/05/54/1041280554.db2.gz ZLZPMNLYFLFEFO-HDICACEKSA-N 2 2 391.437 3.731 20 0 GHADLP Nc1ccc(OC(F)(F)F)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001235790049 1041280563 /nfs/dbraw/zinc/28/05/63/1041280563.db2.gz ZLZPMNLYFLFEFO-HDICACEKSA-N 2 2 391.437 3.731 20 0 GHADLP Nc1ccc(OC(F)(F)F)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001235790049 1041280579 /nfs/dbraw/zinc/28/05/79/1041280579.db2.gz ZLZPMNLYFLFEFO-HDICACEKSA-N 2 2 391.437 3.731 20 0 GHADLP Nc1ccc(OC(F)(F)F)cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001235790049 1041280594 /nfs/dbraw/zinc/28/05/94/1041280594.db2.gz ZLZPMNLYFLFEFO-HDICACEKSA-N 2 2 391.437 3.731 20 0 GHADLP COCCC[N@H+](Cc1ccc(-c2ccc(C(=O)OC)cc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235809142 1041320495 /nfs/dbraw/zinc/32/04/95/1041320495.db2.gz JAVHFBFSUCGNFO-HSZRJFAPSA-N 2 2 396.531 3.731 20 0 GHADLP COCCC[N@@H+](Cc1ccc(-c2ccc(C(=O)OC)cc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235809142 1041320509 /nfs/dbraw/zinc/32/05/09/1041320509.db2.gz JAVHFBFSUCGNFO-HSZRJFAPSA-N 2 2 396.531 3.731 20 0 GHADLP CC1([NH+]2CCN(Cc3ccccc3OCc3ccccc3)CC2)CC[NH2+]CC1 ZINC001235815209 1041328136 /nfs/dbraw/zinc/32/81/36/1041328136.db2.gz JXWNORBKOPGUEY-UHFFFAOYSA-N 2 2 379.548 3.525 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)c1cccc(OC)c1 ZINC001255955053 1041435258 /nfs/dbraw/zinc/43/52/58/1041435258.db2.gz MZFGSJHNPFQNBL-YLJYHZDGSA-N 2 2 393.572 3.971 20 0 GHADLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1cc(Br)co1)CC2 ZINC001278928895 1041700699 /nfs/dbraw/zinc/70/06/99/1041700699.db2.gz LRXARXMKIAMPGQ-UHFFFAOYSA-N 2 2 396.354 3.905 20 0 GHADLP Cn1cc(C(=O)c2ccc(F)cc2)cc1C[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458730 1041721471 /nfs/dbraw/zinc/72/14/71/1041721471.db2.gz WYHOQNFFOPILKL-UHFFFAOYSA-N 2 2 385.527 3.995 20 0 GHADLP Cn1cc(C(=O)c2ccc(F)cc2)cc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458730 1041721479 /nfs/dbraw/zinc/72/14/79/1041721479.db2.gz WYHOQNFFOPILKL-UHFFFAOYSA-N 2 2 385.527 3.995 20 0 GHADLP CCOc1ccc(C)cc1C[N@H+](Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001236466032 1041728569 /nfs/dbraw/zinc/72/85/69/1041728569.db2.gz VTXLXGKDUDMTPN-UHFFFAOYSA-N 2 2 396.531 3.935 20 0 GHADLP CCOc1ccc(C)cc1C[N@@H+](Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001236466032 1041728574 /nfs/dbraw/zinc/72/85/74/1041728574.db2.gz VTXLXGKDUDMTPN-UHFFFAOYSA-N 2 2 396.531 3.935 20 0 GHADLP C[C@H]1C[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256457923 1041740857 /nfs/dbraw/zinc/74/08/57/1041740857.db2.gz RSFCCGCSWQTCTM-PKOBYXMFSA-N 2 2 388.556 3.676 20 0 GHADLP Cc1ccc(F)cc1C[N@H+](Cc1ccc(N2CCCC2)nc1)C1CC[NH2+]CC1 ZINC001236509445 1041745521 /nfs/dbraw/zinc/74/55/21/1041745521.db2.gz NFCBRSXNBVXYRO-UHFFFAOYSA-N 2 2 382.527 3.884 20 0 GHADLP Cc1ccc(F)cc1C[N@@H+](Cc1ccc(N2CCCC2)nc1)C1CC[NH2+]CC1 ZINC001236509445 1041745529 /nfs/dbraw/zinc/74/55/29/1041745529.db2.gz NFCBRSXNBVXYRO-UHFFFAOYSA-N 2 2 382.527 3.884 20 0 GHADLP Cc1ccc(C[N@@H+](Cc2nn(C)cc2Br)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236722015 1041856697 /nfs/dbraw/zinc/85/66/97/1041856697.db2.gz BUPNVAXXPYXUSW-QAQDUYKDSA-N 2 2 391.357 3.763 20 0 GHADLP Cc1ccc(C[N@H+](Cc2nn(C)cc2Br)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236722015 1041856705 /nfs/dbraw/zinc/85/67/05/1041856705.db2.gz BUPNVAXXPYXUSW-QAQDUYKDSA-N 2 2 391.357 3.763 20 0 GHADLP CCOc1cncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001236839133 1041924081 /nfs/dbraw/zinc/92/40/81/1041924081.db2.gz ROYMNPZOYPHIPI-AJSBUHFISA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1cncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001236839133 1041924083 /nfs/dbraw/zinc/92/40/83/1041924083.db2.gz ROYMNPZOYPHIPI-AJSBUHFISA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1cncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001236839133 1041924088 /nfs/dbraw/zinc/92/40/88/1041924088.db2.gz ROYMNPZOYPHIPI-AJSBUHFISA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1cncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001236839133 1041924089 /nfs/dbraw/zinc/92/40/89/1041924089.db2.gz ROYMNPZOYPHIPI-AJSBUHFISA-N 2 2 380.536 3.608 20 0 GHADLP COc1cccc(O[C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)n1 ZINC001236918275 1041958177 /nfs/dbraw/zinc/95/81/77/1041958177.db2.gz JIDDFZSUGIXHDM-KRWDZBQOSA-N 2 2 384.867 3.583 20 0 GHADLP COc1cccc(O[C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)n1 ZINC001236918275 1041958183 /nfs/dbraw/zinc/95/81/83/1041958183.db2.gz JIDDFZSUGIXHDM-KRWDZBQOSA-N 2 2 384.867 3.583 20 0 GHADLP Brc1ccnc2[nH]cc(C[NH+]3CCC4(CC3)[NH2+]Cc3ccccc34)c21 ZINC001237365556 1042173735 /nfs/dbraw/zinc/17/37/35/1042173735.db2.gz HWVBOQZXHVFVGK-UHFFFAOYSA-N 2 2 397.320 3.920 20 0 GHADLP Clc1cncc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1Cl ZINC001238007269 1042456234 /nfs/dbraw/zinc/45/62/34/1042456234.db2.gz DVIZMVIAXFNCBK-UHFFFAOYSA-N 2 2 394.350 3.629 20 0 GHADLP Clc1cncc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1Cl ZINC001238007269 1042456237 /nfs/dbraw/zinc/45/62/37/1042456237.db2.gz DVIZMVIAXFNCBK-UHFFFAOYSA-N 2 2 394.350 3.629 20 0 GHADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(Cl)cc1Cl ZINC001278216335 1042552083 /nfs/dbraw/zinc/55/20/83/1042552083.db2.gz QMPRGGPDYSDGLB-AYHJJNSGSA-N 2 2 387.351 3.741 20 0 GHADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(Cl)cc1Cl ZINC001278216335 1042552085 /nfs/dbraw/zinc/55/20/85/1042552085.db2.gz QMPRGGPDYSDGLB-AYHJJNSGSA-N 2 2 387.351 3.741 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(F)c1O ZINC001238361705 1042569650 /nfs/dbraw/zinc/56/96/50/1042569650.db2.gz XETYXVIYAYSTEV-VDGAXYAQSA-N 2 2 399.510 3.667 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(F)c1O ZINC001238361705 1042569652 /nfs/dbraw/zinc/56/96/52/1042569652.db2.gz XETYXVIYAYSTEV-VDGAXYAQSA-N 2 2 399.510 3.667 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(F)c1O ZINC001238361705 1042569656 /nfs/dbraw/zinc/56/96/56/1042569656.db2.gz XETYXVIYAYSTEV-VDGAXYAQSA-N 2 2 399.510 3.667 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(F)c1O ZINC001238361705 1042569659 /nfs/dbraw/zinc/56/96/59/1042569659.db2.gz XETYXVIYAYSTEV-VDGAXYAQSA-N 2 2 399.510 3.667 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(OC(C)C)ccc3C)CC2)C1 ZINC001238482414 1042613461 /nfs/dbraw/zinc/61/34/61/1042613461.db2.gz YBZRHURYBPVOAJ-LJQANCHMSA-N 2 2 388.552 3.632 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc(OC(C)C)ccc3C)CC2)C1 ZINC001238482414 1042613463 /nfs/dbraw/zinc/61/34/63/1042613463.db2.gz YBZRHURYBPVOAJ-LJQANCHMSA-N 2 2 388.552 3.632 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(C(=O)NCc3ccccc3)cc2)C1 ZINC001239910610 1042861625 /nfs/dbraw/zinc/86/16/25/1042861625.db2.gz TZACSWSRMWCSKP-HSZRJFAPSA-N 2 2 385.511 3.817 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(C(=O)NCc3ccccc3)cc2)C1 ZINC001239910610 1042861631 /nfs/dbraw/zinc/86/16/31/1042861631.db2.gz TZACSWSRMWCSKP-HSZRJFAPSA-N 2 2 385.511 3.817 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc(C(=O)NCc4ccccc4)c3)c2)C1 ZINC001240076986 1042883350 /nfs/dbraw/zinc/88/33/50/1042883350.db2.gz FWRMLBMMJDFFLW-DEOSSOPVSA-N 2 2 385.511 3.817 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc(C(=O)NCc4ccccc4)c3)c2)C1 ZINC001240076986 1042883352 /nfs/dbraw/zinc/88/33/52/1042883352.db2.gz FWRMLBMMJDFFLW-DEOSSOPVSA-N 2 2 385.511 3.817 20 0 GHADLP COc1ccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c(OCc2cccnc2)c1 ZINC001462667808 1070457628 /nfs/dbraw/zinc/45/76/28/1070457628.db2.gz MGXHBKCVZHOLCM-UHFFFAOYSA-N 2 2 392.503 3.782 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)cc1 ZINC001256534393 1043469089 /nfs/dbraw/zinc/46/90/89/1043469089.db2.gz QSBHATVWAPRRHB-OYDLWJJNSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)cc1 ZINC001256534393 1043469100 /nfs/dbraw/zinc/46/91/00/1043469100.db2.gz QSBHATVWAPRRHB-OYDLWJJNSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)cc1 ZINC001256534393 1043469116 /nfs/dbraw/zinc/46/91/16/1043469116.db2.gz QSBHATVWAPRRHB-OYDLWJJNSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)cc1 ZINC001256534393 1043469130 /nfs/dbraw/zinc/46/91/30/1043469130.db2.gz QSBHATVWAPRRHB-OYDLWJJNSA-N 2 2 393.575 3.912 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256545843 1043501651 /nfs/dbraw/zinc/50/16/51/1043501651.db2.gz VNPKMBSDVYGTRW-REXJZNOJSA-N 2 2 384.564 3.698 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256545843 1043501663 /nfs/dbraw/zinc/50/16/63/1043501663.db2.gz VNPKMBSDVYGTRW-REXJZNOJSA-N 2 2 384.564 3.698 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)CC[NH+]1Cc1ccccc1 ZINC001256545843 1043501677 /nfs/dbraw/zinc/50/16/77/1043501677.db2.gz VNPKMBSDVYGTRW-REXJZNOJSA-N 2 2 384.564 3.698 20 0 GHADLP C[C@@H]1C[C@H]([N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)CC[NH+]1Cc1ccccc1 ZINC001256545843 1043501699 /nfs/dbraw/zinc/50/16/99/1043501699.db2.gz VNPKMBSDVYGTRW-REXJZNOJSA-N 2 2 384.564 3.698 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCN(c3cc(Cl)ccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256553657 1043523189 /nfs/dbraw/zinc/52/31/89/1043523189.db2.gz ISSAKMZBSIOKQE-WIYYLYMNSA-N 2 2 384.955 3.910 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCN(c3cc(Cl)ccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256553657 1043523196 /nfs/dbraw/zinc/52/31/96/1043523196.db2.gz ISSAKMZBSIOKQE-WIYYLYMNSA-N 2 2 384.955 3.910 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH+]2CCN(c3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC001256577157 1043549423 /nfs/dbraw/zinc/54/94/23/1043549423.db2.gz DIDPPNQWUOQYBU-UHFFFAOYSA-N 2 2 385.474 3.970 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@@H]1CCO[C@@H](c3ccccc3)C1)CC2 ZINC001256809028 1043664597 /nfs/dbraw/zinc/66/45/97/1043664597.db2.gz GADYXQIDJVSBGJ-AUSIDOKSSA-N 2 2 382.552 3.804 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@@H]1CCO[C@@H](c3ccccc3)C1)CC2 ZINC001256809028 1043664604 /nfs/dbraw/zinc/66/46/04/1043664604.db2.gz GADYXQIDJVSBGJ-AUSIDOKSSA-N 2 2 382.552 3.804 20 0 GHADLP CC[C@@H]1C[C@H](n2c[nH+]c(C)c2CSCC[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257126122 1043873101 /nfs/dbraw/zinc/87/31/01/1043873101.db2.gz KMHTVFZARVGUEL-HZPDHXFCSA-N 2 2 382.574 3.734 20 0 GHADLP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001257480557 1044013021 /nfs/dbraw/zinc/01/30/21/1044013021.db2.gz XRQKHLXIDGJSBY-ZCNNSNEGSA-N 2 2 375.605 3.612 20 0 GHADLP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001257480557 1044013037 /nfs/dbraw/zinc/01/30/37/1044013037.db2.gz XRQKHLXIDGJSBY-ZCNNSNEGSA-N 2 2 375.605 3.612 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@H]21 ZINC001257774310 1044164479 /nfs/dbraw/zinc/16/44/79/1044164479.db2.gz QZWHMRTUTDJOEO-JOZVDFOLSA-N 2 2 391.600 3.972 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@H]21 ZINC001257774310 1044164486 /nfs/dbraw/zinc/16/44/86/1044164486.db2.gz QZWHMRTUTDJOEO-JOZVDFOLSA-N 2 2 391.600 3.972 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@H]21 ZINC001257774310 1044164490 /nfs/dbraw/zinc/16/44/90/1044164490.db2.gz QZWHMRTUTDJOEO-JOZVDFOLSA-N 2 2 391.600 3.972 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@H]21 ZINC001257774310 1044164495 /nfs/dbraw/zinc/16/44/95/1044164495.db2.gz QZWHMRTUTDJOEO-JOZVDFOLSA-N 2 2 391.600 3.972 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@H]2COc3ccc(Cl)cc3C2)cs1 ZINC001257951472 1044269071 /nfs/dbraw/zinc/26/90/71/1044269071.db2.gz XXQLUKMRSIJIQA-OAHLLOKOSA-N 2 2 397.997 3.685 20 0 GHADLP CCOC(=O)CCC[C@H](C)[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001258123744 1044411771 /nfs/dbraw/zinc/41/17/71/1044411771.db2.gz CEHDPDGZRWZHIS-ZDUSSCGKSA-N 2 2 394.313 3.618 20 0 GHADLP COC(=O)c1ccc(C2C[NH+](C3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC001258149089 1044439086 /nfs/dbraw/zinc/43/90/86/1044439086.db2.gz XEQJOHCCNDUTPH-UHFFFAOYSA-N 2 2 378.516 3.580 20 0 GHADLP C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001258302438 1044499523 /nfs/dbraw/zinc/49/95/23/1044499523.db2.gz LPWKDNPODIEPCW-HYVNUMGLSA-N 2 2 397.585 3.606 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1(C)C ZINC001258550937 1044628964 /nfs/dbraw/zinc/62/89/64/1044628964.db2.gz WMSKUAZKLBEWCM-SFHVURJKSA-N 2 2 388.556 3.818 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CC1(C)C ZINC001258559029 1044637690 /nfs/dbraw/zinc/63/76/90/1044637690.db2.gz OGNLUOUJNAQJMX-GOSISDBHSA-N 2 2 377.573 3.582 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1(C)C ZINC001258559029 1044637701 /nfs/dbraw/zinc/63/77/01/1044637701.db2.gz OGNLUOUJNAQJMX-GOSISDBHSA-N 2 2 377.573 3.582 20 0 GHADLP CCC[C@@H](Cc1ccccc1)[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001258660328 1044700425 /nfs/dbraw/zinc/70/04/25/1044700425.db2.gz FEQXVZIIKKNGMH-NRFANRHFSA-N 2 2 379.552 3.610 20 0 GHADLP CCC[C@H](Cc1ccccc1)[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001258660330 1044701194 /nfs/dbraw/zinc/70/11/94/1044701194.db2.gz FEQXVZIIKKNGMH-OAQYLSRUSA-N 2 2 379.552 3.610 20 0 GHADLP C[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001258736589 1044735593 /nfs/dbraw/zinc/73/55/93/1044735593.db2.gz WYVCBGZVPJKMFP-GOSISDBHSA-N 2 2 388.939 3.772 20 0 GHADLP COc1cc(C[C@H](C)[NH2+]CC2CCN(c3cccc[nH+]3)CC2)cc(OC)c1OC ZINC001258858183 1044797644 /nfs/dbraw/zinc/79/76/44/1044797644.db2.gz KXNJUXSGDNSPRF-KRWDZBQOSA-N 2 2 399.535 3.545 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000668171314 1047497737 /nfs/dbraw/zinc/49/77/37/1047497737.db2.gz JWKCJMIKCHBLBR-SJLPKXTDSA-N 2 2 375.398 3.654 20 0 GHADLP Fc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001279399674 1047793927 /nfs/dbraw/zinc/79/39/27/1047793927.db2.gz FGYUYPVSHVAPBQ-CALCHBBNSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001279399674 1047793935 /nfs/dbraw/zinc/79/39/35/1047793935.db2.gz FGYUYPVSHVAPBQ-CALCHBBNSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1cc(Cl)ccc1C[NH+]1C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001279399674 1047793939 /nfs/dbraw/zinc/79/39/39/1047793939.db2.gz FGYUYPVSHVAPBQ-CALCHBBNSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1cc(Cl)ccc1C[NH+]1C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001279399674 1047793945 /nfs/dbraw/zinc/79/39/45/1047793945.db2.gz FGYUYPVSHVAPBQ-CALCHBBNSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1c(Cl)cccc1C[N@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001279439158 1047806704 /nfs/dbraw/zinc/80/67/04/1047806704.db2.gz KMXDNGSFMCVLDI-CALCHBBNSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1c(Cl)cccc1C[N@@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001279439158 1047806708 /nfs/dbraw/zinc/80/67/08/1047806708.db2.gz KMXDNGSFMCVLDI-CALCHBBNSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1c(Cl)cccc1C[NH+]1C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001279439158 1047806710 /nfs/dbraw/zinc/80/67/10/1047806710.db2.gz KMXDNGSFMCVLDI-CALCHBBNSA-N 3 2 376.907 3.520 20 0 GHADLP Fc1c(Cl)cccc1C[NH+]1C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001279439158 1047806712 /nfs/dbraw/zinc/80/67/12/1047806712.db2.gz KMXDNGSFMCVLDI-CALCHBBNSA-N 3 2 376.907 3.520 20 0 GHADLP Cc1cc(Cl)nc(Cl)c1C[N@H+]1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279636036 1047881400 /nfs/dbraw/zinc/88/14/00/1047881400.db2.gz AYYGRMDENWEVJX-FQEVSTJZSA-N 2 2 399.410 3.936 20 0 GHADLP Cc1cc(Cl)nc(Cl)c1C[N@@H+]1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279636036 1047881409 /nfs/dbraw/zinc/88/14/09/1047881409.db2.gz AYYGRMDENWEVJX-FQEVSTJZSA-N 2 2 399.410 3.936 20 0 GHADLP COc1nc(OC)c(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)cc1Cl ZINC001279788491 1047950338 /nfs/dbraw/zinc/95/03/38/1047950338.db2.gz VKRSJGJLPRQUEV-UHFFFAOYSA-N 2 2 379.932 3.593 20 0 GHADLP COc1cnc(C[NH+]2CCC3(C[NH+](Cc4scnc4C)C3)CC2)c(Cl)c1 ZINC001280348327 1048197968 /nfs/dbraw/zinc/19/79/68/1048197968.db2.gz WXRAEJQWCAGEGQ-UHFFFAOYSA-N 2 2 392.956 3.607 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCCO2 ZINC001307947333 1049716589 /nfs/dbraw/zinc/71/65/89/1049716589.db2.gz KUGVDKZNMKWPFH-WMZHIEFXSA-N 2 2 380.532 3.953 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCCO2 ZINC001307947333 1049716597 /nfs/dbraw/zinc/71/65/97/1049716597.db2.gz KUGVDKZNMKWPFH-WMZHIEFXSA-N 2 2 380.532 3.953 20 0 GHADLP Cc1c(Br)cncc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001308221997 1049918017 /nfs/dbraw/zinc/91/80/17/1049918017.db2.gz QJGSDOCSKJVLHZ-UHFFFAOYSA-N 2 2 375.245 3.767 20 0 GHADLP CC(C)(C)Oc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001308227358 1049919811 /nfs/dbraw/zinc/91/98/11/1049919811.db2.gz FJZIOCARRRLXHP-UHFFFAOYSA-N 2 2 398.547 3.865 20 0 GHADLP C[C@@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC001308230678 1049920374 /nfs/dbraw/zinc/92/03/74/1049920374.db2.gz CMEGCHXXBFOEFA-GJZGRUSLSA-N 2 2 381.483 3.542 20 0 GHADLP Clc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001308244140 1049924094 /nfs/dbraw/zinc/92/40/94/1049924094.db2.gz YVWWEQDLHAJMOP-JOCHJYFZSA-N 2 2 386.923 3.828 20 0 GHADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001308291361 1049939368 /nfs/dbraw/zinc/93/93/68/1049939368.db2.gz YAQLADHVVIOZKS-UHFFFAOYSA-N 2 2 391.519 3.635 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)CC(F)F ZINC001308467362 1049983233 /nfs/dbraw/zinc/98/32/33/1049983233.db2.gz ZZAVIHDNXXJYJA-ZBFHGGJFSA-N 2 2 375.504 3.532 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)CC(F)F ZINC001308467362 1049983239 /nfs/dbraw/zinc/98/32/39/1049983239.db2.gz ZZAVIHDNXXJYJA-ZBFHGGJFSA-N 2 2 375.504 3.532 20 0 GHADLP C[C@H]1Cc2cc(C[NH2+]CC3([N@H+](C)Cc4ccccc4)CCOCC3)ccc2O1 ZINC001308514118 1049995279 /nfs/dbraw/zinc/99/52/79/1049995279.db2.gz VBCWSQTWWSRBKJ-IBGZPJMESA-N 2 2 380.532 3.781 20 0 GHADLP C[C@H]1Cc2cc(C[NH2+]CC3([N@@H+](C)Cc4ccccc4)CCOCC3)ccc2O1 ZINC001308514118 1049995281 /nfs/dbraw/zinc/99/52/81/1049995281.db2.gz VBCWSQTWWSRBKJ-IBGZPJMESA-N 2 2 380.532 3.781 20 0 GHADLP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC001308709646 1050067217 /nfs/dbraw/zinc/06/72/17/1050067217.db2.gz PMQRKWMPDFOLEF-NLFFAJNJSA-N 2 2 393.575 3.912 20 0 GHADLP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001308709646 1050067219 /nfs/dbraw/zinc/06/72/19/1050067219.db2.gz PMQRKWMPDFOLEF-NLFFAJNJSA-N 2 2 393.575 3.912 20 0 GHADLP C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001308753942 1050082908 /nfs/dbraw/zinc/08/29/08/1050082908.db2.gz WFEFXOZUKGXZCO-RDPSFJRHSA-N 2 2 380.532 3.981 20 0 GHADLP C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001308753942 1050082913 /nfs/dbraw/zinc/08/29/13/1050082913.db2.gz WFEFXOZUKGXZCO-RDPSFJRHSA-N 2 2 380.532 3.981 20 0 GHADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2C2CCCCC2)C1 ZINC001308913993 1050162872 /nfs/dbraw/zinc/16/28/72/1050162872.db2.gz IDALMYGXNAVKMB-XPWALMASSA-N 2 2 377.617 3.512 20 0 GHADLP CC(C)[C@@H](CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC001311391012 1052081656 /nfs/dbraw/zinc/08/16/56/1052081656.db2.gz CEJOUUKWNKNNJY-FCHUYYIVSA-N 2 2 397.567 3.680 20 0 GHADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001335893206 1052198564 /nfs/dbraw/zinc/19/85/64/1052198564.db2.gz SSABZBGHUNIWNM-FQEVSTJZSA-N 2 2 380.467 3.770 20 0 GHADLP CCNc1cc(CNC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)cc[nH+]1 ZINC001313321271 1053017452 /nfs/dbraw/zinc/01/74/52/1053017452.db2.gz YPZNFBDRBZSCAP-FHWLQOOXSA-N 2 2 395.551 3.706 20 0 GHADLP CCNc1cc(CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)cc[nH+]1 ZINC001313321271 1053017456 /nfs/dbraw/zinc/01/74/56/1053017456.db2.gz YPZNFBDRBZSCAP-FHWLQOOXSA-N 2 2 395.551 3.706 20 0 GHADLP CN(C(=O)N[C@H]1CCCC2(CC2)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001313342828 1053025274 /nfs/dbraw/zinc/02/52/74/1053025274.db2.gz OWHJVYPBROUCFF-TYPHKJRUSA-N 2 2 390.616 3.688 20 0 GHADLP CN(C(=O)N[C@H]1CCCC2(CC2)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001313342828 1053025277 /nfs/dbraw/zinc/02/52/77/1053025277.db2.gz OWHJVYPBROUCFF-TYPHKJRUSA-N 2 2 390.616 3.688 20 0 GHADLP C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001474737094 1055136543 /nfs/dbraw/zinc/13/65/43/1055136543.db2.gz MWDHMKSGWZZRTM-WMLDXEAASA-N 2 2 386.321 3.686 20 0 GHADLP C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001474737094 1055136555 /nfs/dbraw/zinc/13/65/55/1055136555.db2.gz MWDHMKSGWZZRTM-WMLDXEAASA-N 2 2 386.321 3.686 20 0 GHADLP Cc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)c1Cl ZINC001320834718 1055980175 /nfs/dbraw/zinc/98/01/75/1055980175.db2.gz ZEHXASAMXRNZOJ-UHFFFAOYSA-N 2 2 399.366 3.982 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC001321828998 1056410991 /nfs/dbraw/zinc/41/09/91/1056410991.db2.gz IPJNLFBZVODPQT-KRWDZBQOSA-N 2 2 378.561 3.710 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC001321828998 1056410992 /nfs/dbraw/zinc/41/09/92/1056410992.db2.gz IPJNLFBZVODPQT-KRWDZBQOSA-N 2 2 378.561 3.710 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCOc3ccc4c(c3)CCC4)CC2)cc1 ZINC001324270491 1057101900 /nfs/dbraw/zinc/10/19/00/1057101900.db2.gz SCAQGMXTVCCLQG-UHFFFAOYSA-N 2 2 379.548 3.879 20 0 GHADLP CN(C(=O)c1ccc2c(c1)oc1ccccc12)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001325874644 1057377908 /nfs/dbraw/zinc/37/79/08/1057377908.db2.gz UAXFTYCSFDUDGR-LJQANCHMSA-N 2 2 391.515 3.827 20 0 GHADLP CN(C(=O)c1ccc2c(c1)oc1ccccc12)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001325874644 1057377911 /nfs/dbraw/zinc/37/79/11/1057377911.db2.gz UAXFTYCSFDUDGR-LJQANCHMSA-N 2 2 391.515 3.827 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CNc1cccc(C(F)(F)F)c1 ZINC001339093753 1058956894 /nfs/dbraw/zinc/95/68/94/1058956894.db2.gz KILHMDWTTYLWIH-UHFFFAOYSA-N 2 2 375.354 3.645 20 0 GHADLP C[C@H](C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001448620204 1060231223 /nfs/dbraw/zinc/23/12/23/1060231223.db2.gz LDOLFCUNHITNLO-FGTMMUONSA-N 2 2 388.943 3.827 20 0 GHADLP C[C@H](C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001448620204 1060231240 /nfs/dbraw/zinc/23/12/40/1060231240.db2.gz LDOLFCUNHITNLO-FGTMMUONSA-N 2 2 388.943 3.827 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001454503382 1061808736 /nfs/dbraw/zinc/80/87/36/1061808736.db2.gz YNXXUDKFOYPRPU-ZJSXRUAMSA-N 2 2 391.559 3.947 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001454503382 1061808758 /nfs/dbraw/zinc/80/87/58/1061808758.db2.gz YNXXUDKFOYPRPU-ZJSXRUAMSA-N 2 2 391.559 3.947 20 0 GHADLP CC[NH+](CC)CC[C@H](NC(=O)N1CCC(c2c[nH+]cn2C)CC1)c1ccccc1 ZINC001346913595 1061979757 /nfs/dbraw/zinc/97/97/57/1061979757.db2.gz OGTLGBOLHVPHSC-NRFANRHFSA-N 2 2 397.567 3.782 20 0 GHADLP c1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4cccc(C[NH+]5CCOCC5)c4)C3)nc2c1 ZINC001348620307 1063241364 /nfs/dbraw/zinc/24/13/64/1063241364.db2.gz HPMUHHJRJXVXPO-NRFANRHFSA-N 2 2 390.531 3.775 20 0 GHADLP c1ccc2[nH]c([C@H]3CCC[N@H+](Cc4cccc(C[NH+]5CCOCC5)c4)C3)nc2c1 ZINC001348620307 1063241384 /nfs/dbraw/zinc/24/13/84/1063241384.db2.gz HPMUHHJRJXVXPO-NRFANRHFSA-N 2 2 390.531 3.775 20 0 GHADLP Cc1nc(NCCCC[NH+]2CCN(c3ccccc3)CC2)c2c([nH+]1)CCCC2 ZINC001458113769 1063576094 /nfs/dbraw/zinc/57/60/94/1063576094.db2.gz PNFZFWBNRWWZTI-UHFFFAOYSA-N 2 2 379.552 3.678 20 0 GHADLP COc1ccc([C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[NH+]2CCCCC2)cc1 ZINC001463663369 1064537514 /nfs/dbraw/zinc/53/75/14/1064537514.db2.gz ZSYBMYWBDVILDS-OAQYLSRUSA-N 2 2 378.476 3.529 20 0 GHADLP CC[NH+]1CCC(CCNC(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CC1 ZINC001357310967 1067042162 /nfs/dbraw/zinc/04/21/62/1067042162.db2.gz YJPQWCRYGGEJFY-IBGZPJMESA-N 2 2 389.588 3.649 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@@H]1CCC1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001473280367 1067146868 /nfs/dbraw/zinc/14/68/68/1067146868.db2.gz QELLSUDXGLDWIS-OAQYLSRUSA-N 2 2 384.568 3.555 20 0 GHADLP O=C(CC[N@H+]1CCC[C@@H]1CCC1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001473280367 1067146877 /nfs/dbraw/zinc/14/68/77/1067146877.db2.gz QELLSUDXGLDWIS-OAQYLSRUSA-N 2 2 384.568 3.555 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001467642364 1067396334 /nfs/dbraw/zinc/39/63/34/1067396334.db2.gz FCJFNKYBOXOMOC-UHFFFAOYSA-N 2 2 378.476 3.690 20 0 GHADLP CSc1ccc([C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)[NH+](C)C)cc1 ZINC000849113104 1067735099 /nfs/dbraw/zinc/73/50/99/1067735099.db2.gz NVAGQQFSWSZCCZ-MOPGFXCFSA-N 2 2 384.549 3.649 20 0 GHADLP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001470177754 1068612093 /nfs/dbraw/zinc/61/20/93/1068612093.db2.gz UGTBHKDPVYQQPS-FGZHOGPDSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001470177754 1068612099 /nfs/dbraw/zinc/61/20/99/1068612099.db2.gz UGTBHKDPVYQQPS-FGZHOGPDSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001470177754 1068612110 /nfs/dbraw/zinc/61/21/10/1068612110.db2.gz UGTBHKDPVYQQPS-FGZHOGPDSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001470177754 1068612118 /nfs/dbraw/zinc/61/21/18/1068612118.db2.gz UGTBHKDPVYQQPS-FGZHOGPDSA-N 2 2 387.543 3.703 20 0 GHADLP COc1ccc2c(C[NH2+][C@@H](Cn3cc[nH+]c3)c3ccccc3)cc(=O)oc2c1 ZINC001460687418 1069086863 /nfs/dbraw/zinc/08/68/63/1069086863.db2.gz GHDRISCBBOYBDC-FQEVSTJZSA-N 2 2 375.428 3.529 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001460693703 1069091357 /nfs/dbraw/zinc/09/13/57/1069091357.db2.gz YZQOJSGVQVDWGL-QGZVFWFLSA-N 2 2 378.476 3.840 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001460693703 1069091361 /nfs/dbraw/zinc/09/13/61/1069091361.db2.gz YZQOJSGVQVDWGL-QGZVFWFLSA-N 2 2 378.476 3.840 20 0 GHADLP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)Nc3nc4ccccc4s3)CC2)[nH+]c1C ZINC001460783472 1069176215 /nfs/dbraw/zinc/17/62/15/1069176215.db2.gz ATXFSCXFYRGXAI-AWEZNQCLSA-N 2 2 383.521 3.843 20 0 GHADLP Cc1[nH]c(C2CC[NH+]([C@@H]3CCN(c4c(C)cc(C)cc4C)C3=O)CC2)[nH+]c1C ZINC001460788992 1069178919 /nfs/dbraw/zinc/17/89/19/1069178919.db2.gz MGGYMCYPRAZSGV-HXUWFJFHSA-N 2 2 380.536 3.937 20 0 GHADLP CC[NH+](CC)CC[C@@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC001471587315 1073147994 /nfs/dbraw/zinc/14/79/94/1073147994.db2.gz OCZFTIIKDZIPOR-LEWJYISDSA-N 2 2 397.567 3.782 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001479143809 1079121375 /nfs/dbraw/zinc/12/13/75/1079121375.db2.gz YEJHMPRKDKVFRZ-HSZRJFAPSA-N 2 2 394.563 3.727 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001479143809 1079121378 /nfs/dbraw/zinc/12/13/78/1079121378.db2.gz YEJHMPRKDKVFRZ-HSZRJFAPSA-N 2 2 394.563 3.727 20 0 GHADLP CC(C)(C)OC(=O)NCCCCCCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001473467704 1073979719 /nfs/dbraw/zinc/97/97/19/1073979719.db2.gz GMQABHULFZSPTM-HXUWFJFHSA-N 2 2 397.604 3.648 20 0 GHADLP CC(C)(C)OC(=O)NCCCCCCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001473467704 1073979720 /nfs/dbraw/zinc/97/97/20/1073979720.db2.gz GMQABHULFZSPTM-HXUWFJFHSA-N 2 2 397.604 3.648 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1 ZINC001473550989 1074012051 /nfs/dbraw/zinc/01/20/51/1074012051.db2.gz ATJBGKABSQPRFV-DNQXCXABSA-N 2 2 396.575 3.753 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1 ZINC001473550989 1074012057 /nfs/dbraw/zinc/01/20/57/1074012057.db2.gz ATJBGKABSQPRFV-DNQXCXABSA-N 2 2 396.575 3.753 20 0 GHADLP COc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)c(Br)c1 ZINC001473810449 1074155288 /nfs/dbraw/zinc/15/52/88/1074155288.db2.gz YPJXUANQMSBXSG-AWEZNQCLSA-N 2 2 376.298 3.563 20 0 GHADLP COc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)c(Br)c1 ZINC001473810449 1074155291 /nfs/dbraw/zinc/15/52/91/1074155291.db2.gz YPJXUANQMSBXSG-AWEZNQCLSA-N 2 2 376.298 3.563 20 0 GHADLP CN(C)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cc1 ZINC001473896343 1074194439 /nfs/dbraw/zinc/19/44/39/1074194439.db2.gz BIYOMCALBXHSIE-GOSISDBHSA-N 2 2 397.567 3.912 20 0 GHADLP CN(C)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cc1 ZINC001473896343 1074194443 /nfs/dbraw/zinc/19/44/43/1074194443.db2.gz BIYOMCALBXHSIE-GOSISDBHSA-N 2 2 397.567 3.912 20 0 GHADLP FC(F)COc1ccccc1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001473928302 1074207339 /nfs/dbraw/zinc/20/73/39/1074207339.db2.gz IPHVIVHGCCXPAD-UHFFFAOYSA-N 2 2 389.490 3.632 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001473970286 1074221333 /nfs/dbraw/zinc/22/13/33/1074221333.db2.gz NIIPCXCFJZDNCR-QFIPXVFZSA-N 2 2 399.510 3.650 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001473970286 1074221337 /nfs/dbraw/zinc/22/13/37/1074221337.db2.gz NIIPCXCFJZDNCR-QFIPXVFZSA-N 2 2 399.510 3.650 20 0 GHADLP COCC1CCC([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001473984789 1074226478 /nfs/dbraw/zinc/22/64/78/1074226478.db2.gz YCUHNMNYRQXEEQ-UHFFFAOYSA-N 2 2 379.976 3.647 20 0 GHADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001474068125 1074253409 /nfs/dbraw/zinc/25/34/09/1074253409.db2.gz QGKZQBJXLGJZRY-SJORKVTESA-N 2 2 376.850 3.826 20 0 GHADLP C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001474087937 1074259547 /nfs/dbraw/zinc/25/95/47/1074259547.db2.gz QEMBZVNTGOFSDU-CYFREDJKSA-N 2 2 380.532 3.811 20 0 GHADLP CC(C)COC(=O)N1CCC([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC001474125569 1074269777 /nfs/dbraw/zinc/26/97/77/1074269777.db2.gz PFCITOVZLSUAPH-UHFFFAOYSA-N 2 2 379.589 3.879 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC001474199726 1074291363 /nfs/dbraw/zinc/29/13/63/1074291363.db2.gz LRYSLAHNJMQADW-RBUKOAKNSA-N 2 2 382.508 3.798 20 0 GHADLP C[N@H+](Cc1ccc(Cl)s1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001474405198 1074390070 /nfs/dbraw/zinc/39/00/70/1074390070.db2.gz OGYVIIICLMZVSB-UHFFFAOYSA-N 2 2 380.941 3.745 20 0 GHADLP C[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001474405198 1074390078 /nfs/dbraw/zinc/39/00/78/1074390078.db2.gz OGYVIIICLMZVSB-UHFFFAOYSA-N 2 2 380.941 3.745 20 0 GHADLP C[C@H]1C[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC001474436046 1074405525 /nfs/dbraw/zinc/40/55/25/1074405525.db2.gz UMUZAKBNMBYTBD-ICSRJNTNSA-N 2 2 375.557 3.792 20 0 GHADLP C[C@H]1C[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC001474436046 1074405527 /nfs/dbraw/zinc/40/55/27/1074405527.db2.gz UMUZAKBNMBYTBD-ICSRJNTNSA-N 2 2 375.557 3.792 20 0 GHADLP Cc1cc(NC(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)c(C)c[nH+]1 ZINC001476303345 1075120254 /nfs/dbraw/zinc/12/02/54/1075120254.db2.gz HHPRXARURPKAIR-QGZVFWFLSA-N 2 2 380.414 3.564 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736565318 598990954 /nfs/dbraw/zinc/99/09/54/598990954.db2.gz JLCRYXNTNDHUGI-YLJYHZDGSA-N 2 2 390.535 3.838 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736565318 598990956 /nfs/dbraw/zinc/99/09/56/598990956.db2.gz JLCRYXNTNDHUGI-YLJYHZDGSA-N 2 2 390.535 3.838 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736565318 598990957 /nfs/dbraw/zinc/99/09/57/598990957.db2.gz JLCRYXNTNDHUGI-YLJYHZDGSA-N 2 2 390.535 3.838 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736565318 598990959 /nfs/dbraw/zinc/99/09/59/598990959.db2.gz JLCRYXNTNDHUGI-YLJYHZDGSA-N 2 2 390.535 3.838 20 0 GHADLP c1c[nH+]c(C2CC[NH+](Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)CC2)[nH]1 ZINC000738424332 599356729 /nfs/dbraw/zinc/35/67/29/599356729.db2.gz ZOTXAZQCWJSFOH-UHFFFAOYSA-N 2 2 385.475 3.636 20 0 GHADLP Cc1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C)c(C)[nH+]1 ZINC001164842321 720720186 /nfs/dbraw/zinc/72/01/86/720720186.db2.gz YGFMZBDKWDYHGK-OAQYLSRUSA-N 2 2 380.536 3.662 20 0 GHADLP Cc1nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C)c(C)[nH+]1 ZINC001164842321 720720193 /nfs/dbraw/zinc/72/01/93/720720193.db2.gz YGFMZBDKWDYHGK-OAQYLSRUSA-N 2 2 380.536 3.662 20 0 GHADLP Cc1cc(C)c(CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000584512573 837429999 /nfs/dbraw/zinc/42/99/99/837429999.db2.gz JHVZFGQDVDYOJB-OAQYLSRUSA-N 2 2 380.536 3.800 20 0 GHADLP Cc1cc(C)c(CNC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000584512573 837430009 /nfs/dbraw/zinc/43/00/09/837430009.db2.gz JHVZFGQDVDYOJB-OAQYLSRUSA-N 2 2 380.536 3.800 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001267591590 837526115 /nfs/dbraw/zinc/52/61/15/837526115.db2.gz OXVUUXOXKLKRRL-CZAAIQMYSA-N 2 2 385.939 3.579 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001267591590 837526119 /nfs/dbraw/zinc/52/61/19/837526119.db2.gz OXVUUXOXKLKRRL-CZAAIQMYSA-N 2 2 385.939 3.579 20 0 GHADLP CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000255068466 837544365 /nfs/dbraw/zinc/54/43/65/837544365.db2.gz OZDQVLUPYLFHAT-ZBTAVZRMSA-N 2 2 399.579 3.552 20 0 GHADLP CC1CCC(Oc2cc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)ccn2)CC1 ZINC000655714605 837708356 /nfs/dbraw/zinc/70/83/56/837708356.db2.gz ALHDPDKSHQODSI-FQUBMZHMSA-N 2 2 387.568 3.772 20 0 GHADLP CC(=O)N(c1nc(C[NH+]2CCC(CC[NH3+])CC2)cs1)c1ccc(F)cc1 ZINC000579718032 834429533 /nfs/dbraw/zinc/42/95/33/834429533.db2.gz OATLYPSDRRJFNK-UHFFFAOYSA-N 2 2 376.501 3.528 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173594554 837776713 /nfs/dbraw/zinc/77/67/13/837776713.db2.gz HFWYIGLTNUCCGC-RCCFBDPRSA-N 2 2 377.960 3.714 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173594554 837776721 /nfs/dbraw/zinc/77/67/21/837776721.db2.gz HFWYIGLTNUCCGC-RCCFBDPRSA-N 2 2 377.960 3.714 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C[N@H+](Cc2ccccc2)C1 ZINC000136436310 834528318 /nfs/dbraw/zinc/52/83/18/834528318.db2.gz GNXBUBSNRARXNE-YKSBVNFPSA-N 2 2 391.559 3.809 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C[N@@H+](Cc2ccccc2)C1 ZINC000136436310 834528326 /nfs/dbraw/zinc/52/83/26/834528326.db2.gz GNXBUBSNRARXNE-YKSBVNFPSA-N 2 2 391.559 3.809 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OCc1cccnc1 ZINC000093866131 834707168 /nfs/dbraw/zinc/70/71/68/834707168.db2.gz VUBAFJKKGYMHSD-OAQYLSRUSA-N 2 2 391.471 3.718 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OCc1cccnc1 ZINC000093866131 834707174 /nfs/dbraw/zinc/70/71/74/834707174.db2.gz VUBAFJKKGYMHSD-OAQYLSRUSA-N 2 2 391.471 3.718 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2nc(C(C)(C)C)cs2)([NH+]2CCCCC2)CC1 ZINC000583850405 835138061 /nfs/dbraw/zinc/13/80/61/835138061.db2.gz GJSWSHIBNUVPTE-UHFFFAOYSA-N 2 2 393.601 3.512 20 0 GHADLP CC(C)(CC[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1)c1ccccc1 ZINC001208670635 835327771 /nfs/dbraw/zinc/32/77/71/835327771.db2.gz YVXFXDHGNFAYLN-UHFFFAOYSA-N 2 2 379.552 3.567 20 0 GHADLP Cc1[nH+]ccn1CCCCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278583948 835476570 /nfs/dbraw/zinc/47/65/70/835476570.db2.gz KLMFXNJBZHYYFW-UHFFFAOYSA-N 2 2 392.507 3.993 20 0 GHADLP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cnn1-c1cccc(Cl)c1 ZINC000658292747 835558282 /nfs/dbraw/zinc/55/82/82/835558282.db2.gz AXNKKOMYNCLZAH-MGPUTAFESA-N 2 2 388.943 3.738 20 0 GHADLP Cc1cc(CO)cc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)[nH+]1 ZINC000663846969 844084701 /nfs/dbraw/zinc/08/47/01/844084701.db2.gz NTXGSRNVGAHHBN-UHFFFAOYSA-N 2 2 378.476 3.614 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000151833040 835897023 /nfs/dbraw/zinc/89/70/23/835897023.db2.gz BSNNXELVJLPDGD-NQIIRXRSSA-N 2 2 383.540 3.518 20 0 GHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC1CC[NH+](CCc2ccccc2)CC1 ZINC000179756182 835969092 /nfs/dbraw/zinc/96/90/92/835969092.db2.gz GJNQIGSDPMNWIY-UHFFFAOYSA-N 2 2 378.524 3.700 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000471221978 835975489 /nfs/dbraw/zinc/97/54/89/835975489.db2.gz YZKVVWXDOZHXHT-IYOUNJFTSA-N 2 2 386.367 3.833 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000471221978 835975496 /nfs/dbraw/zinc/97/54/96/835975496.db2.gz YZKVVWXDOZHXHT-IYOUNJFTSA-N 2 2 386.367 3.833 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000471221978 835975501 /nfs/dbraw/zinc/97/55/01/835975501.db2.gz YZKVVWXDOZHXHT-IYOUNJFTSA-N 2 2 386.367 3.833 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000471221978 835975507 /nfs/dbraw/zinc/97/55/07/835975507.db2.gz YZKVVWXDOZHXHT-IYOUNJFTSA-N 2 2 386.367 3.833 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](CC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC001209086539 835985855 /nfs/dbraw/zinc/98/58/55/835985855.db2.gz UNZNUMDTSVEVFC-YZGWKJHDSA-N 2 2 387.568 3.933 20 0 GHADLP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000092562062 844114674 /nfs/dbraw/zinc/11/46/74/844114674.db2.gz VMDZRFXCLLVVFA-UHFFFAOYSA-N 2 2 388.552 3.509 20 0 GHADLP CC[NH+](CC)CCN(CC(C)C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000612324616 836059452 /nfs/dbraw/zinc/05/94/52/836059452.db2.gz HBMXYJQLVCWFBL-UHFFFAOYSA-N 2 2 389.588 3.581 20 0 GHADLP Cc1ccc2oc(C[N@H+](CCC(=O)N3CC[NH+](C)CC3)Cc3ccco3)cc2c1 ZINC000548918457 836076677 /nfs/dbraw/zinc/07/66/77/836076677.db2.gz SKFSUTROPJIVFT-UHFFFAOYSA-N 2 2 395.503 3.501 20 0 GHADLP Cc1ccc2oc(C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)Cc3ccco3)cc2c1 ZINC000548918457 836076685 /nfs/dbraw/zinc/07/66/85/836076685.db2.gz SKFSUTROPJIVFT-UHFFFAOYSA-N 2 2 395.503 3.501 20 0 GHADLP Clc1cccc(N2CCOCC2)c1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000584475093 836082464 /nfs/dbraw/zinc/08/24/64/836082464.db2.gz UIYYMEXONXACCO-UHFFFAOYSA-N 2 2 399.966 3.715 20 0 GHADLP Clc1cccc(N2CCOCC2)c1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000584475093 836082472 /nfs/dbraw/zinc/08/24/72/836082472.db2.gz UIYYMEXONXACCO-UHFFFAOYSA-N 2 2 399.966 3.715 20 0 GHADLP C[C@@H](NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc(F)cc1 ZINC000548931961 836281733 /nfs/dbraw/zinc/28/17/33/836281733.db2.gz JMAPWJAJLNTHLV-XMSQKQJNSA-N 2 2 397.538 3.893 20 0 GHADLP C[C@@H](NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc(F)cc1 ZINC000548931961 836281744 /nfs/dbraw/zinc/28/17/44/836281744.db2.gz JMAPWJAJLNTHLV-XMSQKQJNSA-N 2 2 397.538 3.893 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000155234083 836630064 /nfs/dbraw/zinc/63/00/64/836630064.db2.gz VGIOOGHQOGBUAZ-FQEVSTJZSA-N 2 2 388.515 3.668 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000155234083 836630070 /nfs/dbraw/zinc/63/00/70/836630070.db2.gz VGIOOGHQOGBUAZ-FQEVSTJZSA-N 2 2 388.515 3.668 20 0 GHADLP COc1ccc([C@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)N2CCCCC2)cc1 ZINC000510177371 836638448 /nfs/dbraw/zinc/63/84/48/836638448.db2.gz TZFXVKFPOQNLLI-FQEVSTJZSA-N 2 2 388.581 3.530 20 0 GHADLP c1cc(C[NH+]2CCOCC2)cc(-c2noc([C@@H]3CCC[N@@H+]3C3CCCC3)n2)c1 ZINC000275517984 837153353 /nfs/dbraw/zinc/15/33/53/837153353.db2.gz VZOGFSAQJLBPAY-FQEVSTJZSA-N 2 2 382.508 3.648 20 0 GHADLP c1cc(C[NH+]2CCOCC2)cc(-c2noc([C@@H]3CCC[N@H+]3C3CCCC3)n2)c1 ZINC000275517984 837153358 /nfs/dbraw/zinc/15/33/58/837153358.db2.gz VZOGFSAQJLBPAY-FQEVSTJZSA-N 2 2 382.508 3.648 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000549770989 844249028 /nfs/dbraw/zinc/24/90/28/844249028.db2.gz KMFQVLDBYYDAHG-CVDCTZTESA-N 2 2 395.547 3.929 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000549770989 844249032 /nfs/dbraw/zinc/24/90/32/844249032.db2.gz KMFQVLDBYYDAHG-CVDCTZTESA-N 2 2 395.547 3.929 20 0 GHADLP O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000655790389 837905337 /nfs/dbraw/zinc/90/53/37/837905337.db2.gz AXSSBRDDVLKHHT-IRLDBZIGSA-N 2 2 375.516 3.727 20 0 GHADLP O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000655790389 837905346 /nfs/dbraw/zinc/90/53/46/837905346.db2.gz AXSSBRDDVLKHHT-IRLDBZIGSA-N 2 2 375.516 3.727 20 0 GHADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000655791576 837906852 /nfs/dbraw/zinc/90/68/52/837906852.db2.gz PCWPPACCMHSCHS-WZONZLPQSA-N 2 2 377.532 3.625 20 0 GHADLP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000659865931 837965184 /nfs/dbraw/zinc/96/51/84/837965184.db2.gz RLCCSNFDEBCHEI-RTBURBONSA-N 2 2 380.527 3.597 20 0 GHADLP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000659865931 837965190 /nfs/dbraw/zinc/96/51/90/837965190.db2.gz RLCCSNFDEBCHEI-RTBURBONSA-N 2 2 380.527 3.597 20 0 GHADLP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000182088336 838323968 /nfs/dbraw/zinc/32/39/68/838323968.db2.gz ZNSNGIZPMPCFJR-HNNXBMFYSA-N 2 2 377.916 3.936 20 0 GHADLP CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000182088336 838323977 /nfs/dbraw/zinc/32/39/77/838323977.db2.gz ZNSNGIZPMPCFJR-HNNXBMFYSA-N 2 2 377.916 3.936 20 0 GHADLP C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000151840679 838530535 /nfs/dbraw/zinc/53/05/35/838530535.db2.gz FBIIZHAPVIPLCV-SIKLNZKXSA-N 2 2 395.551 3.662 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC000376680937 838622748 /nfs/dbraw/zinc/62/27/48/838622748.db2.gz PCKYVRIYHNMRPS-WIYYLYMNSA-N 2 2 380.536 3.591 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)CC2 ZINC000376680937 838622752 /nfs/dbraw/zinc/62/27/52/838622752.db2.gz PCKYVRIYHNMRPS-WIYYLYMNSA-N 2 2 380.536 3.591 20 0 GHADLP CCCC[C@@H](C)N(CCCC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000458126029 844348781 /nfs/dbraw/zinc/34/87/81/844348781.db2.gz LOCSHGYAIJNPID-LJQANCHMSA-N 2 2 380.621 3.935 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000549401618 838632216 /nfs/dbraw/zinc/63/22/16/838632216.db2.gz PMUHNFQWQCLKCX-NRFANRHFSA-N 2 2 381.568 3.828 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000549401618 838632219 /nfs/dbraw/zinc/63/22/19/838632219.db2.gz PMUHNFQWQCLKCX-NRFANRHFSA-N 2 2 381.568 3.828 20 0 GHADLP CN(C(=O)c1ccccc1NC1CCCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684590256 844365515 /nfs/dbraw/zinc/36/55/15/844365515.db2.gz VMTWKMCYUCMZAM-NRFANRHFSA-N 2 2 398.595 3.672 20 0 GHADLP CN(C(=O)c1ccccc1NC1CCCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684590256 844365531 /nfs/dbraw/zinc/36/55/31/844365531.db2.gz VMTWKMCYUCMZAM-NRFANRHFSA-N 2 2 398.595 3.672 20 0 GHADLP C[NH+](C)[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000580111861 838888592 /nfs/dbraw/zinc/88/85/92/838888592.db2.gz TXQGNLGQQFVGFW-QGZVFWFLSA-N 2 2 377.882 3.949 20 0 GHADLP Cc1ccccc1CCNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549164963 839120972 /nfs/dbraw/zinc/12/09/72/839120972.db2.gz IPVYTGIGFKOBBT-QHCPKHFHSA-N 2 2 393.575 3.544 20 0 GHADLP Cc1ccccc1CCNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549164963 839120977 /nfs/dbraw/zinc/12/09/77/839120977.db2.gz IPVYTGIGFKOBBT-QHCPKHFHSA-N 2 2 393.575 3.544 20 0 GHADLP C[C@H](NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000549165842 839127013 /nfs/dbraw/zinc/12/70/13/839127013.db2.gz MHAPXDRKWNFIRW-SIKLNZKXSA-N 2 2 379.548 3.754 20 0 GHADLP C[C@H](NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000549165842 839127017 /nfs/dbraw/zinc/12/70/17/839127017.db2.gz MHAPXDRKWNFIRW-SIKLNZKXSA-N 2 2 379.548 3.754 20 0 GHADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(N)CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC000415125363 839246932 /nfs/dbraw/zinc/24/69/32/839246932.db2.gz DOZFQZPHIZDJEX-URXFXBBRSA-N 3 2 398.639 3.613 20 0 GHADLP C[C@H](c1cccc(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)c1)[NH+]1CCOCC1 ZINC000415149244 839283612 /nfs/dbraw/zinc/28/36/12/839283612.db2.gz NZJQSIKNJXYVNG-XMSQKQJNSA-N 2 2 396.535 3.682 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000183446510 839306746 /nfs/dbraw/zinc/30/67/46/839306746.db2.gz HJWMORHTGZNLFK-QGZVFWFLSA-N 2 2 388.487 3.891 20 0 GHADLP Cc1cc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(C)c[nH+]1 ZINC000535774537 844430797 /nfs/dbraw/zinc/43/07/97/844430797.db2.gz LVYRFLUBKKNSJJ-HSZRJFAPSA-N 2 2 378.520 3.640 20 0 GHADLP Cc1cc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(C)c[nH+]1 ZINC000535774537 844430802 /nfs/dbraw/zinc/43/08/02/844430802.db2.gz LVYRFLUBKKNSJJ-HSZRJFAPSA-N 2 2 378.520 3.640 20 0 GHADLP Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(-c2ccnn2C)c1 ZINC000549246969 839535065 /nfs/dbraw/zinc/53/50/65/839535065.db2.gz AYAQVNQWQVACPZ-UHFFFAOYSA-N 2 2 390.531 3.518 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ccc3OC[C@H]3CCCO3)CC[C@H]21 ZINC000535808355 844507244 /nfs/dbraw/zinc/50/72/44/844507244.db2.gz AKGJLERUJDFCIX-NSISKUIASA-N 2 2 378.944 3.814 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ccc3OC[C@H]3CCCO3)CC[C@H]21 ZINC000535808355 844507287 /nfs/dbraw/zinc/50/72/87/844507287.db2.gz AKGJLERUJDFCIX-NSISKUIASA-N 2 2 378.944 3.814 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OC[C@H]3CCCO3)CC[C@H]21 ZINC000535808355 844507351 /nfs/dbraw/zinc/50/73/51/844507351.db2.gz AKGJLERUJDFCIX-NSISKUIASA-N 2 2 378.944 3.814 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OC[C@H]3CCCO3)CC[C@H]21 ZINC000535808355 844507396 /nfs/dbraw/zinc/50/73/96/844507396.db2.gz AKGJLERUJDFCIX-NSISKUIASA-N 2 2 378.944 3.814 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)CCC2 ZINC000584586207 840288475 /nfs/dbraw/zinc/28/84/75/840288475.db2.gz PHOCWDWSCKIHJP-CQSZACIVSA-N 2 2 380.414 3.706 20 0 GHADLP COC(=O)C[C@@](C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1cccc(F)c1 ZINC000513127313 844533329 /nfs/dbraw/zinc/53/33/29/844533329.db2.gz GGKNHPPUJJRHFP-JOCHJYFZSA-N 2 2 381.451 3.888 20 0 GHADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000563092768 844535755 /nfs/dbraw/zinc/53/57/55/844535755.db2.gz MUTMVSJHYMNBLO-MSOLQXFVSA-N 2 2 391.519 3.523 20 0 GHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000580928985 840453605 /nfs/dbraw/zinc/45/36/05/840453605.db2.gz RDINZARBZHGRDA-UHFFFAOYSA-N 2 2 395.551 3.547 20 0 GHADLP COc1cc(OC)c(OC)cc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000581163609 840808433 /nfs/dbraw/zinc/80/84/33/840808433.db2.gz LVKSNZUOSRVELD-CTNGQTDRSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(OC)cc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000581163609 840808438 /nfs/dbraw/zinc/80/84/38/840808438.db2.gz LVKSNZUOSRVELD-CTNGQTDRSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000581163609 840808447 /nfs/dbraw/zinc/80/84/47/840808447.db2.gz LVKSNZUOSRVELD-CTNGQTDRSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000581163609 840808462 /nfs/dbraw/zinc/80/84/62/840808462.db2.gz LVKSNZUOSRVELD-CTNGQTDRSA-N 2 2 396.531 3.666 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1C ZINC000418355055 841869913 /nfs/dbraw/zinc/86/99/13/841869913.db2.gz OVHDEALUTUXTQN-LJQANCHMSA-N 2 2 384.524 3.672 20 0 GHADLP FC(F)(F)[C@H]1C[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1C(F)(F)F ZINC000643250790 842076879 /nfs/dbraw/zinc/07/68/79/842076879.db2.gz YWVAMEWQVQCTBC-HOTGVXAUSA-N 2 2 396.375 3.691 20 0 GHADLP FC(F)(F)[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C(F)(F)F ZINC000643250792 842077019 /nfs/dbraw/zinc/07/70/19/842077019.db2.gz YWVAMEWQVQCTBC-IYBDPMFKSA-N 2 2 396.375 3.691 20 0 GHADLP FC(F)(F)[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C(F)(F)F ZINC000643250792 842077029 /nfs/dbraw/zinc/07/70/29/842077029.db2.gz YWVAMEWQVQCTBC-IYBDPMFKSA-N 2 2 396.375 3.691 20 0 GHADLP Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cs1 ZINC000652354632 842353936 /nfs/dbraw/zinc/35/39/36/842353936.db2.gz DAIYFOSSQXBQOK-VQIMIIECSA-N 2 2 386.565 3.582 20 0 GHADLP Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cs1 ZINC000652354632 842353945 /nfs/dbraw/zinc/35/39/45/842353945.db2.gz DAIYFOSSQXBQOK-VQIMIIECSA-N 2 2 386.565 3.582 20 0 GHADLP CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000511938636 842484949 /nfs/dbraw/zinc/48/49/49/842484949.db2.gz MGUGFVIDDBOVNQ-YVEFUNNKSA-N 2 2 398.370 3.833 20 0 GHADLP CCN1CC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000511959380 842578601 /nfs/dbraw/zinc/57/86/01/842578601.db2.gz FKYFUFFHNUZHLL-VQIMIIECSA-N 2 2 398.498 3.547 20 0 GHADLP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000248459042 842683396 /nfs/dbraw/zinc/68/33/96/842683396.db2.gz VHTMLKHWMJNASX-UKILVPOCSA-N 2 2 387.527 3.918 20 0 GHADLP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000248459042 842683401 /nfs/dbraw/zinc/68/34/01/842683401.db2.gz VHTMLKHWMJNASX-UKILVPOCSA-N 2 2 387.527 3.918 20 0 GHADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CCSc3ccnc4cc(Cl)ccc43)CC2)C1 ZINC000662152792 842771477 /nfs/dbraw/zinc/77/14/77/842771477.db2.gz GVMIIZDGAFCABY-QGZVFWFLSA-N 2 2 391.968 3.511 20 0 GHADLP O[C@@H]1CC[N@H+](C2CC[NH+](CCSc3ccnc4cc(Cl)ccc43)CC2)C1 ZINC000662152792 842771486 /nfs/dbraw/zinc/77/14/86/842771486.db2.gz GVMIIZDGAFCABY-QGZVFWFLSA-N 2 2 391.968 3.511 20 0 GHADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152308 842772110 /nfs/dbraw/zinc/77/21/10/842772110.db2.gz CTHAEEIUVOOMSR-WZONZLPQSA-N 2 2 393.531 3.531 20 0 GHADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152308 842772116 /nfs/dbraw/zinc/77/21/16/842772116.db2.gz CTHAEEIUVOOMSR-WZONZLPQSA-N 2 2 393.531 3.531 20 0 GHADLP Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000606690811 842953821 /nfs/dbraw/zinc/95/38/21/842953821.db2.gz NMJHKXISMKRKCK-RRPUWOKSSA-N 2 2 398.595 3.646 20 0 GHADLP Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000606690811 842953828 /nfs/dbraw/zinc/95/38/28/842953828.db2.gz NMJHKXISMKRKCK-RRPUWOKSSA-N 2 2 398.595 3.646 20 0 GHADLP CCCn1nccc1C1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000510588792 843010670 /nfs/dbraw/zinc/01/06/70/843010670.db2.gz CPZARPHFEAPFSS-UHFFFAOYSA-N 2 2 395.595 3.685 20 0 GHADLP CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290977 843080597 /nfs/dbraw/zinc/08/05/97/843080597.db2.gz AROAUHOUSKXVAC-QAPCUYQASA-N 2 2 397.519 3.674 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])c1ccccc1OC)c1ccccc1Cl ZINC000430855320 843084567 /nfs/dbraw/zinc/08/45/67/843084567.db2.gz SATLOAAQXZSUPJ-UYAOXDASSA-N 2 2 389.927 3.548 20 0 GHADLP CC(C)c1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(O)c(=O)c1 ZINC000663829270 843777842 /nfs/dbraw/zinc/77/78/42/843777842.db2.gz PZERAGHZFXDIIB-HXUWFJFHSA-N 2 2 380.532 3.830 20 0 GHADLP CC(C)c1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(O)c(=O)c1 ZINC000663829270 843777846 /nfs/dbraw/zinc/77/78/46/843777846.db2.gz PZERAGHZFXDIIB-HXUWFJFHSA-N 2 2 380.532 3.830 20 0 GHADLP CC(C)c1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(O)c(=O)c1 ZINC000663829270 843777855 /nfs/dbraw/zinc/77/78/55/843777855.db2.gz PZERAGHZFXDIIB-HXUWFJFHSA-N 2 2 380.532 3.830 20 0 GHADLP CC(C)c1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c(=O)c1 ZINC000663829270 843777858 /nfs/dbraw/zinc/77/78/58/843777858.db2.gz PZERAGHZFXDIIB-HXUWFJFHSA-N 2 2 380.532 3.830 20 0 GHADLP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1cc(F)ccc1F ZINC000433213784 843864023 /nfs/dbraw/zinc/86/40/23/843864023.db2.gz QHIHIFYFMCQQPY-UHFFFAOYSA-N 2 2 399.485 3.891 20 0 GHADLP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1cc(F)ccc1F ZINC000433213784 843864033 /nfs/dbraw/zinc/86/40/33/843864033.db2.gz QHIHIFYFMCQQPY-UHFFFAOYSA-N 2 2 399.485 3.891 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000152092345 844669486 /nfs/dbraw/zinc/66/94/86/844669486.db2.gz DQAPMCJSYRDNQN-IBGZPJMESA-N 3 2 378.520 3.723 20 0 GHADLP CCCCC[C@@H]1CCCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000663877499 844728270 /nfs/dbraw/zinc/72/82/70/844728270.db2.gz XMADSWKFAKVOKQ-OAQYLSRUSA-N 2 2 378.605 3.689 20 0 GHADLP CN(C(=O)c1cn(C)c2ccccc12)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535848719 844766765 /nfs/dbraw/zinc/76/67/65/844766765.db2.gz ATGAOMTWDONICB-DHIUTWEWSA-N 2 2 396.579 3.588 20 0 GHADLP CN(C(=O)c1cn(C)c2ccccc12)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535848719 844766769 /nfs/dbraw/zinc/76/67/69/844766769.db2.gz ATGAOMTWDONICB-DHIUTWEWSA-N 2 2 396.579 3.588 20 0 GHADLP CCC[N@H+](CC)Cc1ccc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673725865 861495994 /nfs/dbraw/zinc/49/59/94/861495994.db2.gz QKAOJZCZDFQRFG-UHFFFAOYSA-N 2 2 378.520 3.847 20 0 GHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673725865 861496000 /nfs/dbraw/zinc/49/60/00/861496000.db2.gz QKAOJZCZDFQRFG-UHFFFAOYSA-N 2 2 378.520 3.847 20 0 GHADLP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152748206 845156946 /nfs/dbraw/zinc/15/69/46/845156946.db2.gz CMEUMWUSZOZSNB-QGZVFWFLSA-N 2 2 378.289 3.941 20 0 GHADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3OC3CCCC3)C2)CC1 ZINC000093133116 845485693 /nfs/dbraw/zinc/48/56/93/845485693.db2.gz XJLPQEZGNVGRHE-HXUWFJFHSA-N 2 2 391.987 3.873 20 0 GHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3OC3CCCC3)C2)CC1 ZINC000093133116 845485701 /nfs/dbraw/zinc/48/57/01/845485701.db2.gz XJLPQEZGNVGRHE-HXUWFJFHSA-N 2 2 391.987 3.873 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430032225 845589260 /nfs/dbraw/zinc/58/92/60/845589260.db2.gz NMWVYFHLOASXNT-LEWJYISDSA-N 2 2 392.971 3.986 20 0 GHADLP COc1cccc(C[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)c1 ZINC000513531569 845626581 /nfs/dbraw/zinc/62/65/81/845626581.db2.gz HTYRNCWBEVUAQZ-DEOSSOPVSA-N 2 2 380.532 3.638 20 0 GHADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000236949749 846013209 /nfs/dbraw/zinc/01/32/09/846013209.db2.gz FKEYOXZJVCMLBX-VGSWGCGISA-N 2 2 376.504 3.588 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502561334 846205630 /nfs/dbraw/zinc/20/56/30/846205630.db2.gz QEBRFCOYPPXPCV-MOXGXCLJSA-N 2 2 381.923 3.605 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502561334 846205636 /nfs/dbraw/zinc/20/56/36/846205636.db2.gz QEBRFCOYPPXPCV-MOXGXCLJSA-N 2 2 381.923 3.605 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502561334 846205643 /nfs/dbraw/zinc/20/56/43/846205643.db2.gz QEBRFCOYPPXPCV-MOXGXCLJSA-N 2 2 381.923 3.605 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502561334 846205652 /nfs/dbraw/zinc/20/56/52/846205652.db2.gz QEBRFCOYPPXPCV-MOXGXCLJSA-N 2 2 381.923 3.605 20 0 GHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)CC1 ZINC000513673857 846221705 /nfs/dbraw/zinc/22/17/05/846221705.db2.gz YPJPYLMKGXBWRK-UHFFFAOYSA-N 2 2 398.378 3.760 20 0 GHADLP Cc1nc2cc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2o1 ZINC000279982934 846253322 /nfs/dbraw/zinc/25/33/22/846253322.db2.gz JWXGHWFPPKXQHO-RTWAWAEBSA-N 2 2 398.551 3.545 20 0 GHADLP Cc1nc2cc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2o1 ZINC000279982934 846253331 /nfs/dbraw/zinc/25/33/31/846253331.db2.gz JWXGHWFPPKXQHO-RTWAWAEBSA-N 2 2 398.551 3.545 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000280060212 846275683 /nfs/dbraw/zinc/27/56/83/846275683.db2.gz KFIWRIRNUPIVIC-AWEZNQCLSA-N 2 2 375.519 3.578 20 0 GHADLP Cc1c(F)cccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000421505208 846314678 /nfs/dbraw/zinc/31/46/78/846314678.db2.gz IDLPBOAOGLJYGG-RTWAWAEBSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1c(F)cccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000421505208 846314665 /nfs/dbraw/zinc/31/46/65/846314665.db2.gz IDLPBOAOGLJYGG-RTWAWAEBSA-N 2 2 375.532 3.543 20 0 GHADLP O[C@]1(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC[N@H+](Cc2ccccc2)C1 ZINC000431353893 846318345 /nfs/dbraw/zinc/31/83/45/846318345.db2.gz WFQKWBXVCCODHS-NOZRDPDXSA-N 2 2 392.543 3.616 20 0 GHADLP O[C@]1(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC[N@@H+](Cc2ccccc2)C1 ZINC000431353893 846318356 /nfs/dbraw/zinc/31/83/56/846318356.db2.gz WFQKWBXVCCODHS-NOZRDPDXSA-N 2 2 392.543 3.616 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000280242261 846334051 /nfs/dbraw/zinc/33/40/51/846334051.db2.gz KBAWIGVZDPFXRO-INIZCTEOSA-N 2 2 396.926 3.631 20 0 GHADLP Cc1cc(CNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000421575425 846360725 /nfs/dbraw/zinc/36/07/25/846360725.db2.gz KELPKQVAABHUMD-HXUWFJFHSA-N 2 2 391.437 3.769 20 0 GHADLP Cc1cc(CNC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000421575425 846360737 /nfs/dbraw/zinc/36/07/37/846360737.db2.gz KELPKQVAABHUMD-HXUWFJFHSA-N 2 2 391.437 3.769 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cnn(C2CCCC2)c1 ZINC000502710478 846383412 /nfs/dbraw/zinc/38/34/12/846383412.db2.gz WPNURSCUJWTRMZ-IBGZPJMESA-N 2 2 381.568 3.596 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000280434364 846405906 /nfs/dbraw/zinc/40/59/06/846405906.db2.gz XRBPNTJPBUNKGF-QGZVFWFLSA-N 2 2 379.483 3.722 20 0 GHADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1C ZINC000501104611 846645294 /nfs/dbraw/zinc/64/52/94/846645294.db2.gz ASOXCFRADLVIBI-WOJBJXKFSA-N 2 2 385.596 3.805 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000503041299 846744206 /nfs/dbraw/zinc/74/42/06/846744206.db2.gz AWLVFBWLTLJUPU-UHFFFAOYSA-N 2 2 380.492 3.747 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000503041299 846744208 /nfs/dbraw/zinc/74/42/08/846744208.db2.gz AWLVFBWLTLJUPU-UHFFFAOYSA-N 2 2 380.492 3.747 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@H]3C[C@@H](C)c4c3cccc4C)CC2)CC1 ZINC000422027831 846758674 /nfs/dbraw/zinc/75/86/74/846758674.db2.gz XCDAMJYFHOBYSH-NHCUHLMSSA-N 2 2 397.607 3.995 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@H]3C[C@@H](C)c4c3cccc4C)CC2)CC1 ZINC000422027831 846758682 /nfs/dbraw/zinc/75/86/82/846758682.db2.gz XCDAMJYFHOBYSH-NHCUHLMSSA-N 2 2 397.607 3.995 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](Cc3ccccc3)C(C)C)CC2)CC1 ZINC000422028902 846760972 /nfs/dbraw/zinc/76/09/72/846760972.db2.gz YSYSZISLNVLKKS-HSZRJFAPSA-N 2 2 385.596 3.520 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](Cc3ccccc3)C(C)C)CC2)CC1 ZINC000422028902 846760976 /nfs/dbraw/zinc/76/09/76/846760976.db2.gz YSYSZISLNVLKKS-HSZRJFAPSA-N 2 2 385.596 3.520 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)CC1 ZINC000422020029 846772896 /nfs/dbraw/zinc/77/28/96/846772896.db2.gz LYZVZCXLHWFQGF-PWRODBHTSA-N 2 2 375.601 3.612 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)CC1 ZINC000422020029 846772905 /nfs/dbraw/zinc/77/29/05/846772905.db2.gz LYZVZCXLHWFQGF-PWRODBHTSA-N 2 2 375.601 3.612 20 0 GHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000109794942 846858476 /nfs/dbraw/zinc/85/84/76/846858476.db2.gz ZMUBKXPDZYDOBK-UHFFFAOYSA-N 2 2 376.460 3.951 20 0 GHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc([S@@](C)=O)cc1 ZINC000272318843 847046814 /nfs/dbraw/zinc/04/68/14/847046814.db2.gz VJNBCWPSWWFDID-CHAGWJKLSA-N 2 2 386.565 3.523 20 0 GHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc([S@](C)=O)cc1 ZINC000272318847 847047047 /nfs/dbraw/zinc/04/70/47/847047047.db2.gz VJNBCWPSWWFDID-OQRWROFFSA-N 2 2 386.565 3.523 20 0 GHADLP Brc1cnccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000625380577 861755197 /nfs/dbraw/zinc/75/51/97/861755197.db2.gz ZWBHDILNDPRNPW-UHFFFAOYSA-N 2 2 375.314 3.757 20 0 GHADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CCCCC1 ZINC000420363685 847140040 /nfs/dbraw/zinc/14/00/40/847140040.db2.gz PTZKIGXUZYKMRT-OAHLLOKOSA-N 2 2 377.838 3.795 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)N(Cc1ccccc1)c1ccccc1 ZINC000420385088 847152470 /nfs/dbraw/zinc/15/24/70/847152470.db2.gz FEGYPQQYFCHNBE-GMAHTHKFSA-N 2 2 377.532 3.684 20 0 GHADLP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)N(Cc1ccccc1)c1ccccc1 ZINC000420385088 847152472 /nfs/dbraw/zinc/15/24/72/847152472.db2.gz FEGYPQQYFCHNBE-GMAHTHKFSA-N 2 2 377.532 3.684 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)c3cccc(C)c3C)CC2)CC1 ZINC000422240157 847486274 /nfs/dbraw/zinc/48/62/74/847486274.db2.gz VGEHTBNPJHFMGS-FQEVSTJZSA-N 2 2 386.584 3.566 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)c3cccc(C)c3C)CC2)CC1 ZINC000422240157 847486282 /nfs/dbraw/zinc/48/62/82/847486282.db2.gz VGEHTBNPJHFMGS-FQEVSTJZSA-N 2 2 386.584 3.566 20 0 GHADLP CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000420948210 847567952 /nfs/dbraw/zinc/56/79/52/847567952.db2.gz PGULQBOHFDKGMJ-GOSISDBHSA-N 2 2 384.520 3.777 20 0 GHADLP CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000420954008 847574460 /nfs/dbraw/zinc/57/44/60/847574460.db2.gz VPLFTPVGYHOUBO-HSZRJFAPSA-N 2 2 396.531 3.691 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccsc1 ZINC000051755889 847648500 /nfs/dbraw/zinc/64/85/00/847648500.db2.gz KTUQFSZLLUVDPD-SFHVURJKSA-N 2 2 390.553 3.651 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379878 847654068 /nfs/dbraw/zinc/65/40/68/847654068.db2.gz XLIUNFYRXBXHRO-HKUYNNGSSA-N 2 2 398.526 3.585 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379878 847654074 /nfs/dbraw/zinc/65/40/74/847654074.db2.gz XLIUNFYRXBXHRO-HKUYNNGSSA-N 2 2 398.526 3.585 20 0 GHADLP Brc1ccc(-c2ncc(C[NH+]3CCC4(CC[NH2+]4)CC3)s2)cc1 ZINC000422561254 847693750 /nfs/dbraw/zinc/69/37/50/847693750.db2.gz KEQCSTFNNKSCIP-UHFFFAOYSA-N 2 2 378.339 3.901 20 0 GHADLP C[C@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C[NH+]1CCCCC1 ZINC000511169497 847697625 /nfs/dbraw/zinc/69/76/25/847697625.db2.gz OLTBQXCTKKCEOG-DLBZAZTESA-N 2 2 393.601 3.619 20 0 GHADLP C[C@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C[NH+]1CCCCC1 ZINC000511169497 847697629 /nfs/dbraw/zinc/69/76/29/847697629.db2.gz OLTBQXCTKKCEOG-DLBZAZTESA-N 2 2 393.601 3.619 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cs2)cc1OC ZINC000422632964 847741369 /nfs/dbraw/zinc/74/13/69/847741369.db2.gz HMHYQLXDUDBUTD-LZWOXQAQSA-N 2 2 375.538 3.633 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cs2)cc1OC ZINC000422632964 847741378 /nfs/dbraw/zinc/74/13/78/847741378.db2.gz HMHYQLXDUDBUTD-LZWOXQAQSA-N 2 2 375.538 3.633 20 0 GHADLP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502346646 847783604 /nfs/dbraw/zinc/78/36/04/847783604.db2.gz QGSMPKULAIJXHA-OAQYLSRUSA-N 2 2 375.520 3.844 20 0 GHADLP c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502346646 847783607 /nfs/dbraw/zinc/78/36/07/847783607.db2.gz QGSMPKULAIJXHA-OAQYLSRUSA-N 2 2 375.520 3.844 20 0 GHADLP Fc1ccc(Cn2cc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cn2)cc1 ZINC000502328915 847785440 /nfs/dbraw/zinc/78/54/40/847785440.db2.gz YHFDDIQNLWGSNR-HXUWFJFHSA-N 2 2 393.510 3.983 20 0 GHADLP Fc1ccc(Cn2cc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cn2)cc1 ZINC000502328915 847785448 /nfs/dbraw/zinc/78/54/48/847785448.db2.gz YHFDDIQNLWGSNR-HXUWFJFHSA-N 2 2 393.510 3.983 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(C)cc3SC)CC2)CC1 ZINC000421159903 847794530 /nfs/dbraw/zinc/79/45/30/847794530.db2.gz QKAMPXWXLAIYPV-UHFFFAOYSA-N 2 2 390.597 3.741 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(C)cc3SC)CC2)CC1 ZINC000421159903 847794535 /nfs/dbraw/zinc/79/45/35/847794535.db2.gz QKAMPXWXLAIYPV-UHFFFAOYSA-N 2 2 390.597 3.741 20 0 GHADLP COc1ccccc1[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])N1CCCCC1 ZINC000422719514 847795145 /nfs/dbraw/zinc/79/51/45/847795145.db2.gz YJIIQJHXIQCMIO-OIBXWCBGSA-N 2 2 381.564 3.770 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000422785091 847821561 /nfs/dbraw/zinc/82/15/61/847821561.db2.gz JHOCGVJTHBOLHA-UTKZUKDTSA-N 2 2 394.494 3.535 20 0 GHADLP COc1ccc([C@H](NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422826809 847842994 /nfs/dbraw/zinc/84/29/94/847842994.db2.gz CQPYIMMMZLIUFI-GOTSBHOMSA-N 2 2 376.504 3.523 20 0 GHADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000423009263 847935947 /nfs/dbraw/zinc/93/59/47/847935947.db2.gz VJWWRCFRCDTSHW-CYFREDJKSA-N 3 2 377.532 3.960 20 0 GHADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000423009263 847935955 /nfs/dbraw/zinc/93/59/55/847935955.db2.gz VJWWRCFRCDTSHW-CYFREDJKSA-N 3 2 377.532 3.960 20 0 GHADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000423009263 847935961 /nfs/dbraw/zinc/93/59/61/847935961.db2.gz VJWWRCFRCDTSHW-CYFREDJKSA-N 2 2 377.532 3.960 20 0 GHADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000423009263 847935964 /nfs/dbraw/zinc/93/59/64/847935964.db2.gz VJWWRCFRCDTSHW-CYFREDJKSA-N 2 2 377.532 3.960 20 0 GHADLP C[NH+](C)[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000133469069 848082116 /nfs/dbraw/zinc/08/21/16/848082116.db2.gz IPEAFNNAIWCZDL-QHCPKHFHSA-N 2 2 387.518 3.864 20 0 GHADLP CN(C)[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000133469069 848082122 /nfs/dbraw/zinc/08/21/22/848082122.db2.gz IPEAFNNAIWCZDL-QHCPKHFHSA-N 2 2 387.518 3.864 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H](CC(C)(C)C)c3ccccc3)C2)CC1 ZINC000604173695 861928645 /nfs/dbraw/zinc/92/86/45/861928645.db2.gz SNITXNYKLLJRKY-FPOVZHCZSA-N 2 2 386.584 3.632 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H](CC(C)(C)C)c3ccccc3)C2)CC1 ZINC000604173695 861928656 /nfs/dbraw/zinc/92/86/56/861928656.db2.gz SNITXNYKLLJRKY-FPOVZHCZSA-N 2 2 386.584 3.632 20 0 GHADLP [NH3+][C@@H](CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000237900785 848785330 /nfs/dbraw/zinc/78/53/30/848785330.db2.gz HBFYYXFWAVQWSX-ICSRJNTNSA-N 2 2 389.902 3.650 20 0 GHADLP [NH3+][C@@H](CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000237900785 848785335 /nfs/dbraw/zinc/78/53/35/848785335.db2.gz HBFYYXFWAVQWSX-ICSRJNTNSA-N 2 2 389.902 3.650 20 0 GHADLP CC(C)C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccncc1 ZINC000647284874 849560892 /nfs/dbraw/zinc/56/08/92/849560892.db2.gz NZDQTEAGFKPVBS-HSZRJFAPSA-N 2 2 383.536 3.670 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)cn1 ZINC000126353184 849712132 /nfs/dbraw/zinc/71/21/32/849712132.db2.gz UQJHGAZQCPMCGZ-UHFFFAOYSA-N 2 2 395.938 3.983 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423156930 849767085 /nfs/dbraw/zinc/76/70/85/849767085.db2.gz UOVPQEDQTLDDOJ-WIOPSUGQSA-N 3 2 391.559 3.887 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423156930 849767092 /nfs/dbraw/zinc/76/70/92/849767092.db2.gz UOVPQEDQTLDDOJ-WIOPSUGQSA-N 3 2 391.559 3.887 20 0 GHADLP O=c1ccccn1C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000503909426 849769839 /nfs/dbraw/zinc/76/98/39/849769839.db2.gz JFMBPBOVYRJQDV-XMMPIXPASA-N 2 2 387.527 3.844 20 0 GHADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000423346636 849864424 /nfs/dbraw/zinc/86/44/24/849864424.db2.gz ZAUQPIDXTHYAJS-HYVJGQCMSA-N 2 2 395.547 3.710 20 0 GHADLP COc1cc2[nH+]ccc(N(C)CCCn3cc[nH+]c3)c2cc1Br ZINC000425234803 849866097 /nfs/dbraw/zinc/86/60/97/849866097.db2.gz HVZCTLHSLKPKQA-UHFFFAOYSA-N 2 2 375.270 3.729 20 0 GHADLP Cc1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000423364003 849886679 /nfs/dbraw/zinc/88/66/79/849886679.db2.gz OOJUFZZWSNEVPX-DENIHFKCSA-N 2 2 386.561 3.528 20 0 GHADLP Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423529405 849957279 /nfs/dbraw/zinc/95/72/79/849957279.db2.gz VJBWXWPYHMBYAA-DGCLKSJQSA-N 2 2 396.354 3.520 20 0 GHADLP Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423525968 849968968 /nfs/dbraw/zinc/96/89/68/849968968.db2.gz QBYUINJGJGZVQO-XHDPSFHLSA-N 2 2 396.354 3.520 20 0 GHADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000504239269 849982203 /nfs/dbraw/zinc/98/22/03/849982203.db2.gz KQORXWMZLLAZMA-ZIFCJYIRSA-N 2 2 385.474 3.522 20 0 GHADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000504239269 849982209 /nfs/dbraw/zinc/98/22/09/849982209.db2.gz KQORXWMZLLAZMA-ZIFCJYIRSA-N 2 2 385.474 3.522 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCC(C)(C)C(=O)OC(C)(C)C)sc2C1 ZINC000424194474 850284012 /nfs/dbraw/zinc/28/40/12/850284012.db2.gz XNNYHBLWHGUUBD-UHFFFAOYSA-N 2 2 381.586 3.757 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH2+]CCC(C)(C)C(=O)OC(C)(C)C)sc2C1 ZINC000424194474 850284017 /nfs/dbraw/zinc/28/40/17/850284017.db2.gz XNNYHBLWHGUUBD-UHFFFAOYSA-N 2 2 381.586 3.757 20 0 GHADLP COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668739647 850444466 /nfs/dbraw/zinc/44/44/66/850444466.db2.gz OBJNAQSMTYBLAK-JOCHJYFZSA-N 2 2 380.532 3.702 20 0 GHADLP COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668739647 850444471 /nfs/dbraw/zinc/44/44/71/850444471.db2.gz OBJNAQSMTYBLAK-JOCHJYFZSA-N 2 2 380.532 3.702 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1cc2cc(F)ccc2o1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435421731 850500196 /nfs/dbraw/zinc/50/01/96/850500196.db2.gz KUCBMFKPHNIPJG-HXUWFJFHSA-N 2 2 382.483 3.933 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1cc2cc(F)ccc2o1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435421731 850500205 /nfs/dbraw/zinc/50/02/05/850500205.db2.gz KUCBMFKPHNIPJG-HXUWFJFHSA-N 2 2 382.483 3.933 20 0 GHADLP C[N@H+](CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435613025 850698833 /nfs/dbraw/zinc/69/88/33/850698833.db2.gz AJSHMTDVXUUJJD-IFMALSPDSA-N 2 2 385.939 3.620 20 0 GHADLP C[N@@H+](CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435613025 850698841 /nfs/dbraw/zinc/69/88/41/850698841.db2.gz AJSHMTDVXUUJJD-IFMALSPDSA-N 2 2 385.939 3.620 20 0 GHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506757530 850781334 /nfs/dbraw/zinc/78/13/34/850781334.db2.gz CVEOZOMKWMEAKS-UHFFFAOYSA-N 2 2 395.551 3.670 20 0 GHADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC2)C1 ZINC000604389144 862172408 /nfs/dbraw/zinc/17/24/08/862172408.db2.gz SOOYBTJLZFOZKL-QHCPKHFHSA-N 2 2 397.538 3.617 20 0 GHADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC2)C1 ZINC000604389144 862172414 /nfs/dbraw/zinc/17/24/14/862172414.db2.gz SOOYBTJLZFOZKL-QHCPKHFHSA-N 2 2 397.538 3.617 20 0 GHADLP FC1(F)CCC[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000513894108 850986328 /nfs/dbraw/zinc/98/63/28/850986328.db2.gz HDGNRCXTUXUZKA-PMACEKPBSA-N 2 2 392.538 3.741 20 0 GHADLP FC1(F)CCC[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000513894108 850986333 /nfs/dbraw/zinc/98/63/33/850986333.db2.gz HDGNRCXTUXUZKA-PMACEKPBSA-N 2 2 392.538 3.741 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000604426880 862199222 /nfs/dbraw/zinc/19/92/22/862199222.db2.gz KHMXHMFFIDMWFB-JOCHJYFZSA-N 2 2 391.519 3.755 20 0 GHADLP C[C@@H]1CCN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000119650075 851363762 /nfs/dbraw/zinc/36/37/62/851363762.db2.gz SERRKRRXNQEVHM-NWSQWKLXSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@@H]1CCN(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000119650075 851363771 /nfs/dbraw/zinc/36/37/71/851363771.db2.gz SERRKRRXNQEVHM-NWSQWKLXSA-N 2 2 395.551 3.530 20 0 GHADLP c1ccc([C@H]2CC[C@@H]([NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)cc1 ZINC000436286738 851408566 /nfs/dbraw/zinc/40/85/66/851408566.db2.gz SVPBREGAYFYYBP-XZOQPEGZSA-N 2 2 380.532 3.824 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000484152605 862248759 /nfs/dbraw/zinc/24/87/59/862248759.db2.gz UMQIDNLQPSCMIX-WMQCIHAUSA-N 2 2 386.536 3.835 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000484152605 862248778 /nfs/dbraw/zinc/24/87/78/862248778.db2.gz UMQIDNLQPSCMIX-WMQCIHAUSA-N 2 2 386.536 3.835 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)N1CCSc2ccccc21 ZINC000434681494 851488535 /nfs/dbraw/zinc/48/85/35/851488535.db2.gz PDPYHRSZZCELBH-UHFFFAOYSA-N 2 2 396.560 3.538 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000484152603 862249554 /nfs/dbraw/zinc/24/95/54/862249554.db2.gz UMQIDNLQPSCMIX-DZFGPLHGSA-N 2 2 386.536 3.835 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000484152603 862249569 /nfs/dbraw/zinc/24/95/69/862249569.db2.gz UMQIDNLQPSCMIX-DZFGPLHGSA-N 2 2 386.536 3.835 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180650263 862267762 /nfs/dbraw/zinc/26/77/62/862267762.db2.gz PURSWJPCPLHXKK-AWEZNQCLSA-N 2 2 399.292 3.924 20 0 GHADLP C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838600 851881888 /nfs/dbraw/zinc/88/18/88/851881888.db2.gz VFASHSFEZIAPSC-LAUBAEHRSA-N 2 2 394.567 3.692 20 0 GHADLP C[C@@H](c1nnnn1C1CC1)[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838600 851881899 /nfs/dbraw/zinc/88/18/99/851881899.db2.gz VFASHSFEZIAPSC-LAUBAEHRSA-N 2 2 394.567 3.692 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180725303 862300134 /nfs/dbraw/zinc/30/01/34/862300134.db2.gz ZXUGYCCUZJYROQ-BEFAXECRSA-N 2 2 380.879 3.982 20 0 GHADLP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000516070473 852135672 /nfs/dbraw/zinc/13/56/72/852135672.db2.gz FYALDHCSZKVHBT-WCAVRKLYSA-N 2 2 394.563 3.782 20 0 GHADLP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000516070473 852135678 /nfs/dbraw/zinc/13/56/78/852135678.db2.gz FYALDHCSZKVHBT-WCAVRKLYSA-N 2 2 394.563 3.782 20 0 GHADLP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000489286167 852187455 /nfs/dbraw/zinc/18/74/55/852187455.db2.gz DRNGMKRTRWKBGL-UHFFFAOYSA-N 2 2 390.487 3.989 20 0 GHADLP C[C@H]1C[NH+](CCC2CC[NH+](CC(=O)c3c[nH]c4ccccc34)CC2)C[C@H](C)O1 ZINC000426814814 852425245 /nfs/dbraw/zinc/42/52/45/852425245.db2.gz IHXMMFLGGURVFZ-ROUUACIJSA-N 2 2 383.536 3.562 20 0 GHADLP C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[N@@H+]1CCCC[C@H]1C ZINC000426030548 852453337 /nfs/dbraw/zinc/45/33/37/852453337.db2.gz UQJMYXQJNRVJFC-YHBROIRLSA-N 2 2 395.551 3.674 20 0 GHADLP C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[N@H+]1CCCC[C@H]1C ZINC000426030548 852453345 /nfs/dbraw/zinc/45/33/45/852453345.db2.gz UQJMYXQJNRVJFC-YHBROIRLSA-N 2 2 395.551 3.674 20 0 GHADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425675121 852611124 /nfs/dbraw/zinc/61/11/24/852611124.db2.gz QAJTYHMHPWZXDK-GOSISDBHSA-N 2 2 381.524 3.834 20 0 GHADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425675121 852611130 /nfs/dbraw/zinc/61/11/30/852611130.db2.gz QAJTYHMHPWZXDK-GOSISDBHSA-N 2 2 381.524 3.834 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000516642373 852815728 /nfs/dbraw/zinc/81/57/28/852815728.db2.gz CZSOEGAOVSKBNY-UHFFFAOYSA-N 2 2 395.551 3.860 20 0 GHADLP CCOc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](CC)[C@H]2c2cnn(C)c2)cc1F ZINC000426152533 852855100 /nfs/dbraw/zinc/85/51/00/852855100.db2.gz GUXGOFFKKADERW-PGRDOPGGSA-N 2 2 388.531 3.863 20 0 GHADLP CCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CC)[C@H]2c2cnn(C)c2)cc1F ZINC000426152533 852855104 /nfs/dbraw/zinc/85/51/04/852855104.db2.gz GUXGOFFKKADERW-PGRDOPGGSA-N 2 2 388.531 3.863 20 0 GHADLP CCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](CC)[C@H]2c2cnn(C)c2)cc1F ZINC000426152533 852855106 /nfs/dbraw/zinc/85/51/06/852855106.db2.gz GUXGOFFKKADERW-PGRDOPGGSA-N 2 2 388.531 3.863 20 0 GHADLP CCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CC)[C@H]2c2cnn(C)c2)cc1F ZINC000426152533 852855111 /nfs/dbraw/zinc/85/51/11/852855111.db2.gz GUXGOFFKKADERW-PGRDOPGGSA-N 2 2 388.531 3.863 20 0 GHADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000516767586 852977292 /nfs/dbraw/zinc/97/72/92/852977292.db2.gz HHUPIQQGIMCXDE-UHFFFAOYSA-N 2 2 389.540 3.539 20 0 GHADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000516767586 852977300 /nfs/dbraw/zinc/97/73/00/852977300.db2.gz HHUPIQQGIMCXDE-UHFFFAOYSA-N 2 2 389.540 3.539 20 0 GHADLP COc1ccccc1-c1ncc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC000490587202 853117114 /nfs/dbraw/zinc/11/71/14/853117114.db2.gz ASMQKOHDAMHJMM-UHFFFAOYSA-N 2 2 385.471 3.687 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N3[C@H](C)CCC[C@@H]3C)C2)s1 ZINC000516894253 853135480 /nfs/dbraw/zinc/13/54/80/853135480.db2.gz VUPPSJZMLUYHEB-ZIFCJYIRSA-N 2 2 377.598 3.600 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N3[C@H](C)CCC[C@@H]3C)C2)s1 ZINC000516894253 853135486 /nfs/dbraw/zinc/13/54/86/853135486.db2.gz VUPPSJZMLUYHEB-ZIFCJYIRSA-N 2 2 377.598 3.600 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N3[C@H](C)CCC[C@@H]3C)C2)s1 ZINC000516894253 853135492 /nfs/dbraw/zinc/13/54/92/853135492.db2.gz VUPPSJZMLUYHEB-ZIFCJYIRSA-N 2 2 377.598 3.600 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N3[C@H](C)CCC[C@@H]3C)C2)s1 ZINC000516894253 853135496 /nfs/dbraw/zinc/13/54/96/853135496.db2.gz VUPPSJZMLUYHEB-ZIFCJYIRSA-N 2 2 377.598 3.600 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)Nc3ccccc3N3CCC(C[NH+](C)C)CC3)ccn12 ZINC000516980164 853221354 /nfs/dbraw/zinc/22/13/54/853221354.db2.gz VHTBUKKLTVRKDK-UHFFFAOYSA-N 2 2 391.519 3.673 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506481020 853272215 /nfs/dbraw/zinc/27/22/15/853272215.db2.gz NUGXZYNWWKPACR-SBHAEUEKSA-N 2 2 389.559 3.759 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506481020 853272221 /nfs/dbraw/zinc/27/22/21/853272221.db2.gz NUGXZYNWWKPACR-SBHAEUEKSA-N 2 2 389.559 3.759 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506481020 853272234 /nfs/dbraw/zinc/27/22/34/853272234.db2.gz NUGXZYNWWKPACR-SBHAEUEKSA-N 2 2 389.559 3.759 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506481020 853272245 /nfs/dbraw/zinc/27/22/45/853272245.db2.gz NUGXZYNWWKPACR-SBHAEUEKSA-N 2 2 389.559 3.759 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506481019 853272708 /nfs/dbraw/zinc/27/27/08/853272708.db2.gz NUGXZYNWWKPACR-DYXWJJEUSA-N 2 2 389.559 3.759 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506481019 853272719 /nfs/dbraw/zinc/27/27/19/853272719.db2.gz NUGXZYNWWKPACR-DYXWJJEUSA-N 2 2 389.559 3.759 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506481019 853272725 /nfs/dbraw/zinc/27/27/25/853272725.db2.gz NUGXZYNWWKPACR-DYXWJJEUSA-N 2 2 389.559 3.759 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506481019 853272732 /nfs/dbraw/zinc/27/27/32/853272732.db2.gz NUGXZYNWWKPACR-DYXWJJEUSA-N 2 2 389.559 3.759 20 0 GHADLP CC[NH+]1CCC(CCNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000437572540 853280985 /nfs/dbraw/zinc/28/09/85/853280985.db2.gz WEPKLWMQLFPEJW-INIZCTEOSA-N 2 2 393.601 3.619 20 0 GHADLP CC[NH+]1CCC(CCNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000437572540 853280992 /nfs/dbraw/zinc/28/09/92/853280992.db2.gz WEPKLWMQLFPEJW-INIZCTEOSA-N 2 2 393.601 3.619 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000440823919 853676708 /nfs/dbraw/zinc/67/67/08/853676708.db2.gz HFPWCHWRPPHJLS-ONTIZHBOSA-N 2 2 397.567 3.803 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000440823919 853676714 /nfs/dbraw/zinc/67/67/14/853676714.db2.gz HFPWCHWRPPHJLS-ONTIZHBOSA-N 2 2 397.567 3.803 20 0 GHADLP Cc1ccc([C@H](OC[C@H](O)C[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c2ccccc2)cc1 ZINC000571413896 853873251 /nfs/dbraw/zinc/87/32/51/853873251.db2.gz BQYIBFHQYNQGDH-ZYQDXHPFSA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccc([C@H](OC[C@H](O)C[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c2ccccc2)cc1 ZINC000571413896 853873253 /nfs/dbraw/zinc/87/32/53/853873253.db2.gz BQYIBFHQYNQGDH-ZYQDXHPFSA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccc([C@H](OC[C@H](O)C[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c2ccccc2)cc1 ZINC000571413896 853873255 /nfs/dbraw/zinc/87/32/55/853873255.db2.gz BQYIBFHQYNQGDH-ZYQDXHPFSA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccc([C@H](OC[C@H](O)C[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c2ccccc2)cc1 ZINC000571413896 853873259 /nfs/dbraw/zinc/87/32/59/853873259.db2.gz BQYIBFHQYNQGDH-ZYQDXHPFSA-N 2 2 394.559 3.630 20 0 GHADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000481914079 862511068 /nfs/dbraw/zinc/51/10/68/862511068.db2.gz JOBSJDJAHADQNB-OXJNMPFZSA-N 2 2 392.465 3.645 20 0 GHADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000481914079 862511075 /nfs/dbraw/zinc/51/10/75/862511075.db2.gz JOBSJDJAHADQNB-OXJNMPFZSA-N 2 2 392.465 3.645 20 0 GHADLP Cc1cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c2ccccc2n1 ZINC000188314884 854006557 /nfs/dbraw/zinc/00/65/57/854006557.db2.gz FNEDWKAZMMLHKX-DEOSSOPVSA-N 2 2 375.516 3.612 20 0 GHADLP Cc1cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c2ccccc2n1 ZINC000188314884 854006565 /nfs/dbraw/zinc/00/65/65/854006565.db2.gz FNEDWKAZMMLHKX-DEOSSOPVSA-N 2 2 375.516 3.612 20 0 GHADLP Cc1cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc2n1 ZINC000188314884 854006571 /nfs/dbraw/zinc/00/65/71/854006571.db2.gz FNEDWKAZMMLHKX-DEOSSOPVSA-N 2 2 375.516 3.612 20 0 GHADLP Cc1cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2n1 ZINC000188314884 854006580 /nfs/dbraw/zinc/00/65/80/854006580.db2.gz FNEDWKAZMMLHKX-DEOSSOPVSA-N 2 2 375.516 3.612 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000760678248 854109114 /nfs/dbraw/zinc/10/91/14/854109114.db2.gz FLMJVVTZZCYELC-HXUWFJFHSA-N 2 2 398.551 3.941 20 0 GHADLP CC1(C)CC[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000481927855 862534608 /nfs/dbraw/zinc/53/46/08/862534608.db2.gz SJQUOHBYWMDKCQ-NRFANRHFSA-N 2 2 392.547 3.523 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NCc2ccccc2C)c(C)c1 ZINC000441368816 854150279 /nfs/dbraw/zinc/15/02/79/854150279.db2.gz BPNDWMLSSADWEV-REWPJTCUSA-N 2 2 390.531 3.844 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N(C)c2ccccc2)c(C)c1 ZINC000441379586 854164309 /nfs/dbraw/zinc/16/43/09/854164309.db2.gz PFJXWGVKVFXHJA-DENIHFKCSA-N 2 2 376.504 3.882 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000156766497 854254996 /nfs/dbraw/zinc/25/49/96/854254996.db2.gz WVVSFTGBSUEKEV-XLIONFOSSA-N 2 2 388.556 3.596 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000112626288 854277827 /nfs/dbraw/zinc/27/78/27/854277827.db2.gz MFWHWAMTTGMDLK-OYRHEFFESA-N 2 2 394.563 3.864 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000112626288 854277833 /nfs/dbraw/zinc/27/78/33/854277833.db2.gz MFWHWAMTTGMDLK-OYRHEFFESA-N 2 2 394.563 3.864 20 0 GHADLP Cc1ccc(-c2ccc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c(F)c2)cc1 ZINC000112921352 854361530 /nfs/dbraw/zinc/36/15/30/854361530.db2.gz MGLCROBQGNYQMM-UHFFFAOYSA-N 2 2 397.538 3.899 20 0 GHADLP Cc1ccc(-c2ccc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c(F)c2)cc1 ZINC000112921352 854361538 /nfs/dbraw/zinc/36/15/38/854361538.db2.gz MGLCROBQGNYQMM-UHFFFAOYSA-N 2 2 397.538 3.899 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000588691632 854362964 /nfs/dbraw/zinc/36/29/64/854362964.db2.gz PVHQJOROBKIPCC-FQEVSTJZSA-N 2 2 395.478 3.596 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000588691632 854362972 /nfs/dbraw/zinc/36/29/72/854362972.db2.gz PVHQJOROBKIPCC-FQEVSTJZSA-N 2 2 395.478 3.596 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000481964297 862571614 /nfs/dbraw/zinc/57/16/14/862571614.db2.gz DKVMYKAEJSELEY-ZWKOTPCHSA-N 2 2 395.613 3.679 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(F)c(Br)cc1F ZINC000624014683 862582981 /nfs/dbraw/zinc/58/29/81/862582981.db2.gz DUQACMATRLNBNP-AAEUAGOBSA-N 2 2 389.284 3.631 20 0 GHADLP C[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000604884695 862598961 /nfs/dbraw/zinc/59/89/61/862598961.db2.gz DDXIURGOBWHLHC-YADHBBJMSA-N 2 2 378.564 3.719 20 0 GHADLP C[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000604884695 862598977 /nfs/dbraw/zinc/59/89/77/862598977.db2.gz DDXIURGOBWHLHC-YADHBBJMSA-N 2 2 378.564 3.719 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000765797388 854852905 /nfs/dbraw/zinc/85/29/05/854852905.db2.gz ODSDIHVQNOJWMH-JWNTYJGQSA-N 2 2 384.495 3.919 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000765797388 854852910 /nfs/dbraw/zinc/85/29/10/854852910.db2.gz ODSDIHVQNOJWMH-JWNTYJGQSA-N 2 2 384.495 3.919 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000590155503 855301775 /nfs/dbraw/zinc/30/17/75/855301775.db2.gz IUJSFMQKZPYHAB-NQIIRXRSSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000590155503 855301777 /nfs/dbraw/zinc/30/17/77/855301777.db2.gz IUJSFMQKZPYHAB-NQIIRXRSSA-N 2 2 395.551 3.873 20 0 GHADLP CC[N@H+](C)[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccccc1 ZINC000590398081 855389969 /nfs/dbraw/zinc/38/99/69/855389969.db2.gz UDPPQOMIIGNUFW-OAQYLSRUSA-N 2 2 380.467 3.629 20 0 GHADLP CC[N@@H+](C)[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccccc1 ZINC000590398081 855389976 /nfs/dbraw/zinc/38/99/76/855389976.db2.gz UDPPQOMIIGNUFW-OAQYLSRUSA-N 2 2 380.467 3.629 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590851824 855615321 /nfs/dbraw/zinc/61/53/21/855615321.db2.gz UISZZRBFPQYCRY-SIKLNZKXSA-N 2 2 395.551 3.804 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000590851824 855615326 /nfs/dbraw/zinc/61/53/26/855615326.db2.gz UISZZRBFPQYCRY-SIKLNZKXSA-N 2 2 395.551 3.804 20 0 GHADLP Cc1cn2cc(NC(=O)N3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)ccc2[nH+]1 ZINC000567879961 862703040 /nfs/dbraw/zinc/70/30/40/862703040.db2.gz STSHPTFLDVPVLZ-QHCPKHFHSA-N 2 2 389.503 3.773 20 0 GHADLP Cc1cn2cc(NC(=O)N3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc2[nH+]1 ZINC000567879961 862703053 /nfs/dbraw/zinc/70/30/53/862703053.db2.gz STSHPTFLDVPVLZ-QHCPKHFHSA-N 2 2 389.503 3.773 20 0 GHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCCCCn3cc[nH+]c3)cc2)C1 ZINC000057376121 855871420 /nfs/dbraw/zinc/87/14/20/855871420.db2.gz UOHJYIQVIHGVPR-PMACEKPBSA-N 2 2 397.567 3.641 20 0 GHADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(I)cc1 ZINC000614637368 855918439 /nfs/dbraw/zinc/91/84/39/855918439.db2.gz MBJKYKBTQMLOPO-LSDHHAIUSA-N 2 2 381.261 3.543 20 0 GHADLP OCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000624290183 855984537 /nfs/dbraw/zinc/98/45/37/855984537.db2.gz XANODJXPZLUCHZ-MOPGFXCFSA-N 2 2 387.351 3.650 20 0 GHADLP CC[N@H+](C)[C@@H](C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000591463317 856002705 /nfs/dbraw/zinc/00/27/05/856002705.db2.gz HSGZEQCHJAZNGS-XMSQKQJNSA-N 2 2 381.520 3.711 20 0 GHADLP CC[N@@H+](C)[C@@H](C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000591463317 856002725 /nfs/dbraw/zinc/00/27/25/856002725.db2.gz HSGZEQCHJAZNGS-XMSQKQJNSA-N 2 2 381.520 3.711 20 0 GHADLP COc1cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)ccc1OC(=O)C1CC1 ZINC000895110295 856091523 /nfs/dbraw/zinc/09/15/23/856091523.db2.gz HVQWDUISFJMZFG-WGSAOQKQSA-N 2 2 395.503 3.682 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)s1 ZINC000573486862 856251359 /nfs/dbraw/zinc/25/13/59/856251359.db2.gz UNRPQDCQGDQORA-ILZDJORESA-N 2 2 377.598 3.505 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)s1 ZINC000573486862 856251366 /nfs/dbraw/zinc/25/13/66/856251366.db2.gz UNRPQDCQGDQORA-ILZDJORESA-N 2 2 377.598 3.505 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)s1 ZINC000573486862 856251372 /nfs/dbraw/zinc/25/13/72/856251372.db2.gz UNRPQDCQGDQORA-ILZDJORESA-N 2 2 377.598 3.505 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)s1 ZINC000573486862 856251378 /nfs/dbraw/zinc/25/13/78/856251378.db2.gz UNRPQDCQGDQORA-ILZDJORESA-N 2 2 377.598 3.505 20 0 GHADLP CN(C(=O)c1ccc(OC2CCCCC2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000605128882 862796181 /nfs/dbraw/zinc/79/61/81/862796181.db2.gz RKLHEVAJSXLWKL-NRFANRHFSA-N 2 2 399.579 3.639 20 0 GHADLP CN(C(=O)c1ccc(OC2CCCCC2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000605128882 862796193 /nfs/dbraw/zinc/79/61/93/862796193.db2.gz RKLHEVAJSXLWKL-NRFANRHFSA-N 2 2 399.579 3.639 20 0 GHADLP COc1ccc([C@@H]2C[C@H](N(c3ccc(C)c[nH+]3)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168677955 856624525 /nfs/dbraw/zinc/62/45/25/856624525.db2.gz ROYWBZHEVKWECM-IRLDBZIGSA-N 2 2 381.520 3.877 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NCCCCC[NH+]3CCCCC3)cn2c1 ZINC000111663988 856973058 /nfs/dbraw/zinc/97/30/58/856973058.db2.gz XUFMEGPSBRAVGS-UHFFFAOYSA-N 2 2 388.581 3.648 20 0 GHADLP COc1cc(OC)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1Cl ZINC000181410619 862865404 /nfs/dbraw/zinc/86/54/04/862865404.db2.gz QALBYTCVVNTFDQ-JVPBZIDWSA-N 2 2 396.959 3.776 20 0 GHADLP C[C@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)C[NH+]1CCCC1 ZINC000112372244 857127645 /nfs/dbraw/zinc/12/76/45/857127645.db2.gz UOYCVYCKSZMORB-CQSZACIVSA-N 2 2 377.330 3.661 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000057376492 857196060 /nfs/dbraw/zinc/19/60/60/857196060.db2.gz MMBHZENWZHPMSP-IBGZPJMESA-N 2 2 383.540 3.537 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000057376492 857196063 /nfs/dbraw/zinc/19/60/63/857196063.db2.gz MMBHZENWZHPMSP-IBGZPJMESA-N 2 2 383.540 3.537 20 0 GHADLP Cc1nc(C(C)C)oc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000428198128 857196327 /nfs/dbraw/zinc/19/63/27/857196327.db2.gz BOQAJJHKXNHYTC-UHFFFAOYSA-N 3 2 376.589 3.735 20 0 GHADLP Cc1nc(C(C)C)oc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000428198128 857196330 /nfs/dbraw/zinc/19/63/30/857196330.db2.gz BOQAJJHKXNHYTC-UHFFFAOYSA-N 3 2 376.589 3.735 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188875 862907611 /nfs/dbraw/zinc/90/76/11/862907611.db2.gz KAQTXRFWLAIMGO-QFBILLFUSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624188875 862907624 /nfs/dbraw/zinc/90/76/24/862907624.db2.gz KAQTXRFWLAIMGO-QFBILLFUSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000521030955 857519787 /nfs/dbraw/zinc/51/97/87/857519787.db2.gz KAGMSVVRMKRHDM-OAHLLOKOSA-N 2 2 388.462 3.504 20 0 GHADLP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000063081463 857588391 /nfs/dbraw/zinc/58/83/91/857588391.db2.gz GIQOWPJIJNYYTQ-UHFFFAOYSA-N 2 2 388.515 3.573 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)CCCC1)c1ccccc1 ZINC000675894793 857652064 /nfs/dbraw/zinc/65/20/64/857652064.db2.gz OTTIUGIJMYJCOD-RBUKOAKNSA-N 2 2 390.535 3.977 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923752 857667684 /nfs/dbraw/zinc/66/76/84/857667684.db2.gz USLNYBBXPGCNQJ-OXQOHEQNSA-N 2 2 380.467 3.850 20 0 GHADLP CC[C@@H](c1ccccc1)[N@H+](CC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000521823378 858357140 /nfs/dbraw/zinc/35/71/40/858357140.db2.gz RXECQRWLFJMSRQ-QHCPKHFHSA-N 2 2 395.547 3.931 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cn2)[C@@H](C)C1 ZINC000575107253 858590056 /nfs/dbraw/zinc/59/00/56/858590056.db2.gz YWRVIUIYDCYORU-ZOBUZTSGSA-N 2 2 384.362 3.632 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cn2)[C@@H](C)C1 ZINC000575107253 858590057 /nfs/dbraw/zinc/59/00/57/858590057.db2.gz YWRVIUIYDCYORU-ZOBUZTSGSA-N 2 2 384.362 3.632 20 0 GHADLP CC(C)C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000482648636 858721812 /nfs/dbraw/zinc/72/18/12/858721812.db2.gz NWKPAWBGYWXSQA-ZWKOTPCHSA-N 2 2 385.474 3.722 20 0 GHADLP CC(C)C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000482648636 858721820 /nfs/dbraw/zinc/72/18/20/858721820.db2.gz NWKPAWBGYWXSQA-ZWKOTPCHSA-N 2 2 385.474 3.722 20 0 GHADLP CC(C)C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000482648634 858722078 /nfs/dbraw/zinc/72/20/78/858722078.db2.gz NWKPAWBGYWXSQA-ROUUACIJSA-N 2 2 385.474 3.722 20 0 GHADLP CC(C)C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000482648634 858722086 /nfs/dbraw/zinc/72/20/86/858722086.db2.gz NWKPAWBGYWXSQA-ROUUACIJSA-N 2 2 385.474 3.722 20 0 GHADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000183368015 858729710 /nfs/dbraw/zinc/72/97/10/858729710.db2.gz PFTDCSKXDMGNTO-LJQANCHMSA-N 2 2 396.531 3.862 20 0 GHADLP COC(=O)Cc1cc[nH+]c(NCc2ccccc2C[N@H+](C)Cc2ccco2)c1 ZINC000596137105 858790012 /nfs/dbraw/zinc/79/00/12/858790012.db2.gz QYOPNBQFFYYXFP-UHFFFAOYSA-N 2 2 379.460 3.634 20 0 GHADLP COC(=O)Cc1cc[nH+]c(NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC000596137105 858790017 /nfs/dbraw/zinc/79/00/17/858790017.db2.gz QYOPNBQFFYYXFP-UHFFFAOYSA-N 2 2 379.460 3.634 20 0 GHADLP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000183702619 858802327 /nfs/dbraw/zinc/80/23/27/858802327.db2.gz RMZRBNDPCNYYGN-IRFCIJBXSA-N 2 2 396.531 3.942 20 0 GHADLP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000183702619 858802329 /nfs/dbraw/zinc/80/23/29/858802329.db2.gz RMZRBNDPCNYYGN-IRFCIJBXSA-N 2 2 396.531 3.942 20 0 GHADLP CC[N@H+](C[C@H](O)CCC(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000482827775 858886537 /nfs/dbraw/zinc/88/65/37/858886537.db2.gz ZQZOGMYMDMYYBI-HXUWFJFHSA-N 2 2 376.589 3.996 20 0 GHADLP CC[N@@H+](C[C@H](O)CCC(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000482827775 858886542 /nfs/dbraw/zinc/88/65/42/858886542.db2.gz ZQZOGMYMDMYYBI-HXUWFJFHSA-N 2 2 376.589 3.996 20 0 GHADLP COC(=O)C1(C)CCC([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)CC1 ZINC001168762290 858997134 /nfs/dbraw/zinc/99/71/34/858997134.db2.gz QAYXWZMEZZRDNE-UHFFFAOYSA-N 2 2 376.516 3.810 20 0 GHADLP CC[C@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000648417439 859162458 /nfs/dbraw/zinc/16/24/58/859162458.db2.gz OCBOZFNIEDLCBH-QUCCMNQESA-N 2 2 399.501 3.765 20 0 GHADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483249559 859240724 /nfs/dbraw/zinc/24/07/24/859240724.db2.gz JJBQUPFJVWEYMI-SWLSCSKDSA-N 2 2 395.263 3.575 20 0 GHADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483249559 859240735 /nfs/dbraw/zinc/24/07/35/859240735.db2.gz JJBQUPFJVWEYMI-SWLSCSKDSA-N 2 2 395.263 3.575 20 0 GHADLP CN(C(=O)CCc1ccc(-c2ccccc2)o1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476941 859289273 /nfs/dbraw/zinc/28/92/73/859289273.db2.gz CZQKDEKEGYYJBE-OAQYLSRUSA-N 2 2 395.547 3.506 20 0 GHADLP CN(C(=O)CCc1ccc(-c2ccccc2)o1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476941 859289281 /nfs/dbraw/zinc/28/92/81/859289281.db2.gz CZQKDEKEGYYJBE-OAQYLSRUSA-N 2 2 395.547 3.506 20 0 GHADLP Cc1cccc([C@@H]([NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C(C)C)c1 ZINC000625984028 859290663 /nfs/dbraw/zinc/29/06/63/859290663.db2.gz IZNCNUPCGRSKML-DEOSSOPVSA-N 2 2 395.547 3.753 20 0 GHADLP CN(C(=O)c1cccc(Oc2ccccc2)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478547 859291534 /nfs/dbraw/zinc/29/15/34/859291534.db2.gz ZSPFVBAOIXLIHP-OAQYLSRUSA-N 2 2 393.531 3.719 20 0 GHADLP CN(C(=O)c1cccc(Oc2ccccc2)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478547 859291545 /nfs/dbraw/zinc/29/15/45/859291545.db2.gz ZSPFVBAOIXLIHP-OAQYLSRUSA-N 2 2 393.531 3.719 20 0 GHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000522399421 859339660 /nfs/dbraw/zinc/33/96/60/859339660.db2.gz MXQDWHZSIPJMSD-JOCHJYFZSA-N 2 2 389.503 3.509 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000429438664 859370908 /nfs/dbraw/zinc/37/09/08/859370908.db2.gz XCSLYQXSDORYCI-AWEZNQCLSA-N 2 2 389.908 3.780 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@H]3Cc4cccc(Cl)c4C3)CC2)CC1 ZINC001168719719 859388203 /nfs/dbraw/zinc/38/82/03/859388203.db2.gz BSIGJLDIBVYMTB-IBGZPJMESA-N 2 2 390.955 3.547 20 0 GHADLP Cc1cccc(Oc2ccccc2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000669604163 859392703 /nfs/dbraw/zinc/39/27/03/859392703.db2.gz XOSJWJNDVJLICG-IBGZPJMESA-N 2 2 393.531 3.686 20 0 GHADLP Cc1cccc(Oc2ccccc2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000669604163 859392714 /nfs/dbraw/zinc/39/27/14/859392714.db2.gz XOSJWJNDVJLICG-IBGZPJMESA-N 2 2 393.531 3.686 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000483468691 859394263 /nfs/dbraw/zinc/39/42/63/859394263.db2.gz FHSURSCTFSSJQP-PTUXOGIPSA-N 2 2 393.531 3.791 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000483468691 859394275 /nfs/dbraw/zinc/39/42/75/859394275.db2.gz FHSURSCTFSSJQP-PTUXOGIPSA-N 2 2 393.531 3.791 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000483468691 859394284 /nfs/dbraw/zinc/39/42/84/859394284.db2.gz FHSURSCTFSSJQP-PTUXOGIPSA-N 2 2 393.531 3.791 20 0 GHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000483468691 859394293 /nfs/dbraw/zinc/39/42/93/859394293.db2.gz FHSURSCTFSSJQP-PTUXOGIPSA-N 2 2 393.531 3.791 20 0 GHADLP O[C@@H]1CCC[C@]1(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)Cc1ccc(F)cc1 ZINC000429459505 859421506 /nfs/dbraw/zinc/42/15/06/859421506.db2.gz WAYHSQXJZYVTFQ-FYYLOGMGSA-N 2 2 383.511 3.553 20 0 GHADLP Cc1cc(C)n2c(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)cnc2n1 ZINC000509445077 859459851 /nfs/dbraw/zinc/45/98/51/859459851.db2.gz AYRSSJOYLCVFSP-NRFANRHFSA-N 2 2 377.536 3.736 20 0 GHADLP Cc1cc(C)n2c(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)cnc2n1 ZINC000509445077 859459858 /nfs/dbraw/zinc/45/98/58/859459858.db2.gz AYRSSJOYLCVFSP-NRFANRHFSA-N 2 2 377.536 3.736 20 0 GHADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000117779477 859618127 /nfs/dbraw/zinc/61/81/27/859618127.db2.gz UHRVXHNJUKULRQ-UHFFFAOYSA-N 2 2 388.515 3.653 20 0 GHADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000117779477 859618133 /nfs/dbraw/zinc/61/81/33/859618133.db2.gz UHRVXHNJUKULRQ-UHFFFAOYSA-N 2 2 388.515 3.653 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000483837584 859654812 /nfs/dbraw/zinc/65/48/12/859654812.db2.gz WLRLBAZCAISMJY-HOTGVXAUSA-N 2 2 384.505 3.656 20 0 GHADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CCCO2 ZINC000484174838 859847685 /nfs/dbraw/zinc/84/76/85/859847685.db2.gz SLQLSPPIZGCDLG-VWNXMTODSA-N 2 2 380.532 3.744 20 0 GHADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CCCO2 ZINC000484174838 859847696 /nfs/dbraw/zinc/84/76/96/859847696.db2.gz SLQLSPPIZGCDLG-VWNXMTODSA-N 2 2 380.532 3.744 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(OC(F)F)c1 ZINC000484161350 859854802 /nfs/dbraw/zinc/85/48/02/859854802.db2.gz JHKFPHASCOONKO-IERDGZPVSA-N 2 2 376.447 3.576 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC(F)F)c1 ZINC000484161350 859854812 /nfs/dbraw/zinc/85/48/12/859854812.db2.gz JHKFPHASCOONKO-IERDGZPVSA-N 2 2 376.447 3.576 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)Cc3cc4c(cc[nH]c4=O)o3)cc2)C[C@H](C)O1 ZINC000895739999 859885788 /nfs/dbraw/zinc/88/57/88/859885788.db2.gz KJLVZFSSPJYLAU-CALCHBBNSA-N 2 2 395.503 3.775 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3cc4c(cc[nH]c4=O)o3)cc2)C[C@H](C)O1 ZINC000895739999 859885797 /nfs/dbraw/zinc/88/57/97/859885797.db2.gz KJLVZFSSPJYLAU-CALCHBBNSA-N 2 2 395.503 3.775 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3cc4c(cc[nH]c4=O)o3)cc2)C[C@H](C)O1 ZINC000895739999 859885805 /nfs/dbraw/zinc/88/58/05/859885805.db2.gz KJLVZFSSPJYLAU-CALCHBBNSA-N 2 2 395.503 3.775 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3cc4c(cc[nH]c4=O)o3)cc2)C[C@H](C)O1 ZINC000895739999 859885817 /nfs/dbraw/zinc/88/58/17/859885817.db2.gz KJLVZFSSPJYLAU-CALCHBBNSA-N 2 2 395.503 3.775 20 0 GHADLP COc1cc(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)ccc1SC ZINC000597976066 859968401 /nfs/dbraw/zinc/96/84/01/859968401.db2.gz HCEDRZYWJTYGAL-UHFFFAOYSA-N 2 2 399.604 3.667 20 0 GHADLP COc1cc(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)ccc1SC ZINC000597976066 859968407 /nfs/dbraw/zinc/96/84/07/859968407.db2.gz HCEDRZYWJTYGAL-UHFFFAOYSA-N 2 2 399.604 3.667 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000508919682 860019823 /nfs/dbraw/zinc/01/98/23/860019823.db2.gz KEHGGXSUCSDMJB-UGKGYDQZSA-N 2 2 399.583 3.867 20 0 GHADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ncncc3Br)cc2)CC1 ZINC000765506180 860023124 /nfs/dbraw/zinc/02/31/24/860023124.db2.gz BIWQYFLAZONEFC-UHFFFAOYSA-N 2 2 390.329 3.761 20 0 GHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3nc4ccc(F)cc4s3)c2)CCO1 ZINC000428877521 860159613 /nfs/dbraw/zinc/15/96/13/860159613.db2.gz BDNIPJDOLNJWMB-HNNXBMFYSA-N 2 2 385.508 3.946 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3nc4ccc(F)cc4s3)c2)CCO1 ZINC000428877521 860159615 /nfs/dbraw/zinc/15/96/15/860159615.db2.gz BDNIPJDOLNJWMB-HNNXBMFYSA-N 2 2 385.508 3.946 20 0 GHADLP Ic1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000115905072 860296907 /nfs/dbraw/zinc/29/69/07/860296907.db2.gz VXFRNWFPNQGNGQ-UHFFFAOYSA-N 2 2 384.305 3.599 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CCCO2 ZINC000191832910 860360774 /nfs/dbraw/zinc/36/07/74/860360774.db2.gz HJFQGAMPJMQQFY-GMAHTHKFSA-N 2 2 396.531 3.790 20 0 GHADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCCO2 ZINC000191832910 860360782 /nfs/dbraw/zinc/36/07/82/860360782.db2.gz HJFQGAMPJMQQFY-GMAHTHKFSA-N 2 2 396.531 3.790 20 0 GHADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191835964 860367682 /nfs/dbraw/zinc/36/76/82/860367682.db2.gz SLAJFRDVHZRWMW-SIKLNZKXSA-N 2 2 398.547 3.516 20 0 GHADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191835964 860367685 /nfs/dbraw/zinc/36/76/85/860367685.db2.gz SLAJFRDVHZRWMW-SIKLNZKXSA-N 2 2 398.547 3.516 20 0 GHADLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000519567667 860427604 /nfs/dbraw/zinc/42/76/04/860427604.db2.gz NTEYIQGQLJZRNQ-UHFFFAOYSA-N 2 2 388.577 3.974 20 0 GHADLP COc1cccc(C2=CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000509007520 860515421 /nfs/dbraw/zinc/51/54/21/860515421.db2.gz SDCTWTPKVHLMGF-UHFFFAOYSA-N 2 2 391.559 3.997 20 0 GHADLP COc1cccc(C2=CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000509007520 860515429 /nfs/dbraw/zinc/51/54/29/860515429.db2.gz SDCTWTPKVHLMGF-UHFFFAOYSA-N 2 2 391.559 3.997 20 0 GHADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168557238 860618401 /nfs/dbraw/zinc/61/84/01/860618401.db2.gz DUPNAKOWEQOPTO-HZPDHXFCSA-N 2 2 393.494 3.733 20 0 GHADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168557238 860618404 /nfs/dbraw/zinc/61/84/04/860618404.db2.gz DUPNAKOWEQOPTO-HZPDHXFCSA-N 2 2 393.494 3.733 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CC[NH3+])cs2)cc1OC ZINC000489794751 860754951 /nfs/dbraw/zinc/75/49/51/860754951.db2.gz HFAPYIRWUGVCQQ-KRWDZBQOSA-N 2 2 375.538 3.921 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CC[NH3+])cs2)cc1OC ZINC000489794751 860754956 /nfs/dbraw/zinc/75/49/56/860754956.db2.gz HFAPYIRWUGVCQQ-KRWDZBQOSA-N 2 2 375.538 3.921 20 0 GHADLP OC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000603493611 860772498 /nfs/dbraw/zinc/77/24/98/860772498.db2.gz ZYALSIZWQYKROD-NRFANRHFSA-N 2 2 385.870 3.883 20 0 GHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)[C@@H]2CCCN(C(C)C)C2=O)cc1 ZINC000192720719 860927891 /nfs/dbraw/zinc/92/78/91/860927891.db2.gz WBQDNMDYPAVZCE-JOCHJYFZSA-N 2 2 398.551 3.574 20 0 GHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)[C@@H]2CCCN(C(C)C)C2=O)cc1 ZINC000192720719 860927907 /nfs/dbraw/zinc/92/79/07/860927907.db2.gz WBQDNMDYPAVZCE-JOCHJYFZSA-N 2 2 398.551 3.574 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cc2c(cc1Br)OCCO2 ZINC000623365062 860935618 /nfs/dbraw/zinc/93/56/18/860935618.db2.gz AVINTEDXGCPJSE-CHWSQXEVSA-N 2 2 383.330 3.744 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cc2c(cc1Br)OCCO2 ZINC000623365062 860935634 /nfs/dbraw/zinc/93/56/34/860935634.db2.gz AVINTEDXGCPJSE-CHWSQXEVSA-N 2 2 383.330 3.744 20 0 GHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623428490 861055454 /nfs/dbraw/zinc/05/54/54/861055454.db2.gz MLJMOKJPVNFXNZ-SJORKVTESA-N 2 2 384.467 3.740 20 0 GHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623428490 861055471 /nfs/dbraw/zinc/05/54/71/861055471.db2.gz MLJMOKJPVNFXNZ-SJORKVTESA-N 2 2 384.467 3.740 20 0 GHADLP C[NH+](C)Cc1ccnc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000176922586 861083570 /nfs/dbraw/zinc/08/35/70/861083570.db2.gz IIUHRFLDGXCJMJ-UHFFFAOYSA-N 2 2 388.515 3.784 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000482633934 863407544 /nfs/dbraw/zinc/40/75/44/863407544.db2.gz YEMOYAXSJLFAHV-YOEHRIQHSA-N 2 2 393.325 3.815 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 ZINC000183148339 863486906 /nfs/dbraw/zinc/48/69/06/863486906.db2.gz YPWAYROBBRZTNE-QRQCRPRQSA-N 2 2 392.478 3.990 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000606582295 863730532 /nfs/dbraw/zinc/73/05/32/863730532.db2.gz JKRLMNSDEYFXHH-UHFFFAOYSA-N 2 2 377.492 3.710 20 0 GHADLP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000606582295 863730539 /nfs/dbraw/zinc/73/05/39/863730539.db2.gz JKRLMNSDEYFXHH-UHFFFAOYSA-N 2 2 377.492 3.710 20 0 GHADLP C[NH+](C)CCN(CC1CCCCC1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000606652629 863748408 /nfs/dbraw/zinc/74/84/08/863748408.db2.gz KVBAJBITVVSBNY-UHFFFAOYSA-N 2 2 383.540 3.526 20 0 GHADLP Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000606690812 863783634 /nfs/dbraw/zinc/78/36/34/863783634.db2.gz NMJHKXISMKRKCK-WPYKKVEZSA-N 2 2 398.595 3.646 20 0 GHADLP Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000606690812 863783643 /nfs/dbraw/zinc/78/36/43/863783643.db2.gz NMJHKXISMKRKCK-WPYKKVEZSA-N 2 2 398.595 3.646 20 0 GHADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000158526015 863860368 /nfs/dbraw/zinc/86/03/68/863860368.db2.gz SOZBKMRSGIEQOV-QGZVFWFLSA-N 2 2 393.560 3.808 20 0 GHADLP CCC[N@H+](C)[C@@H](CNC(=O)N(C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000554250101 863999145 /nfs/dbraw/zinc/99/91/45/863999145.db2.gz PJFBUSNBUJBXNQ-IBGZPJMESA-N 2 2 391.947 3.651 20 0 GHADLP CCC[N@@H+](C)[C@@H](CNC(=O)N(C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000554250101 863999159 /nfs/dbraw/zinc/99/91/59/863999159.db2.gz PJFBUSNBUJBXNQ-IBGZPJMESA-N 2 2 391.947 3.651 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccco2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000159010166 864008910 /nfs/dbraw/zinc/00/89/10/864008910.db2.gz UFAAXGFSDRRRMA-NQIIRXRSSA-N 2 2 378.476 3.592 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccco2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000159010166 864008924 /nfs/dbraw/zinc/00/89/24/864008924.db2.gz UFAAXGFSDRRRMA-NQIIRXRSSA-N 2 2 378.476 3.592 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1C ZINC000455939840 864083927 /nfs/dbraw/zinc/08/39/27/864083927.db2.gz TVKAYYSNONLIDU-HXUWFJFHSA-N 2 2 382.508 3.920 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000607167862 864131035 /nfs/dbraw/zinc/13/10/35/864131035.db2.gz MFTBUQCZHJRVHS-JTHBVZDNSA-N 2 2 376.500 3.919 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000607167862 864131039 /nfs/dbraw/zinc/13/10/39/864131039.db2.gz MFTBUQCZHJRVHS-JTHBVZDNSA-N 2 2 376.500 3.919 20 0 GHADLP Cc1ccc(N2CCC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000792861341 881731975 /nfs/dbraw/zinc/73/19/75/881731975.db2.gz BPVNLWOLRAFRNK-RUZDIDTESA-N 2 2 393.575 3.798 20 0 GHADLP Cc1ccc(N2CCC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000792861341 881731984 /nfs/dbraw/zinc/73/19/84/881731984.db2.gz BPVNLWOLRAFRNK-RUZDIDTESA-N 2 2 393.575 3.798 20 0 GHADLP Cc1ccc(N2CCC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000792861341 881731991 /nfs/dbraw/zinc/73/19/91/881731991.db2.gz BPVNLWOLRAFRNK-RUZDIDTESA-N 2 2 393.575 3.798 20 0 GHADLP Cc1ccc(N2CCC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000792861341 881731996 /nfs/dbraw/zinc/73/19/96/881731996.db2.gz BPVNLWOLRAFRNK-RUZDIDTESA-N 2 2 393.575 3.798 20 0 GHADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1Oc1ccccc1 ZINC000480169793 864188611 /nfs/dbraw/zinc/18/86/11/864188611.db2.gz NNBJWXVYCKOQKU-DNVJHFABSA-N 2 2 377.488 3.646 20 0 GHADLP COc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc(OC)c1OCc1ccccc1 ZINC000494470970 881769580 /nfs/dbraw/zinc/76/95/80/881769580.db2.gz WBTYYRHITBLFQD-IBGZPJMESA-N 2 2 393.487 3.584 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(OC(F)F)c1 ZINC000163713848 864556937 /nfs/dbraw/zinc/55/69/37/864556937.db2.gz FLOMAHVWZRJISR-INIZCTEOSA-N 2 2 376.447 3.971 20 0 GHADLP c1nc(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n(-c2ccccc2)n1 ZINC000475268931 864688019 /nfs/dbraw/zinc/68/80/19/864688019.db2.gz LNNAWUKBJMVGLF-WWNPGLIZSA-N 2 2 387.531 3.658 20 0 GHADLP c1nc(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n(-c2ccccc2)n1 ZINC000475268931 864688024 /nfs/dbraw/zinc/68/80/24/864688024.db2.gz LNNAWUKBJMVGLF-WWNPGLIZSA-N 2 2 387.531 3.658 20 0 GHADLP COc1cc(N2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)ccn1 ZINC001168060744 864714054 /nfs/dbraw/zinc/71/40/54/864714054.db2.gz XYQUJSJXDKPJDN-JHDGKUDLSA-N 2 2 394.563 3.654 20 0 GHADLP COc1cc(N2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)ccn1 ZINC001168060744 864714062 /nfs/dbraw/zinc/71/40/62/864714062.db2.gz XYQUJSJXDKPJDN-JHDGKUDLSA-N 2 2 394.563 3.654 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000667707317 864946981 /nfs/dbraw/zinc/94/69/81/864946981.db2.gz WNFICHTWBAQDHZ-GIVPXCGWSA-N 2 2 385.483 3.697 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000667707317 864946984 /nfs/dbraw/zinc/94/69/84/864946984.db2.gz WNFICHTWBAQDHZ-GIVPXCGWSA-N 2 2 385.483 3.697 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3F)s2)C1 ZINC000554820636 864955172 /nfs/dbraw/zinc/95/51/72/864955172.db2.gz SPRYUCFBVSGKHS-JKSUJKDBSA-N 2 2 392.544 3.838 20 0 GHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccccc3F)s2)C1 ZINC000554820636 864955183 /nfs/dbraw/zinc/95/51/83/864955183.db2.gz SPRYUCFBVSGKHS-JKSUJKDBSA-N 2 2 392.544 3.838 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccccc1 ZINC000608075756 864965673 /nfs/dbraw/zinc/96/56/73/864965673.db2.gz XAFZEYPPACCKLR-SFHVURJKSA-N 2 2 383.879 3.918 20 0 GHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCSc4ccc(F)cc43)cc2)CC1 ZINC000480619408 864981485 /nfs/dbraw/zinc/98/14/85/864981485.db2.gz ZYBOBYWKRDCALV-FQEVSTJZSA-N 2 2 399.535 3.540 20 0 GHADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c[nH+]1 ZINC000897256770 864987257 /nfs/dbraw/zinc/98/72/57/864987257.db2.gz KZBDURZPMGDDLO-MAUKXSAKSA-N 2 2 392.906 3.528 20 0 GHADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c[nH+]1 ZINC000897256770 864987265 /nfs/dbraw/zinc/98/72/65/864987265.db2.gz KZBDURZPMGDDLO-MAUKXSAKSA-N 2 2 392.906 3.528 20 0 GHADLP CCN(C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000554844306 865005380 /nfs/dbraw/zinc/00/53/80/865005380.db2.gz SYTSYLLTFNYZDV-JOCHJYFZSA-N 2 2 379.548 3.930 20 0 GHADLP CCN(C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000554844306 865005387 /nfs/dbraw/zinc/00/53/87/865005387.db2.gz SYTSYLLTFNYZDV-JOCHJYFZSA-N 2 2 379.548 3.930 20 0 GHADLP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000554859748 865055331 /nfs/dbraw/zinc/05/53/31/865055331.db2.gz UUWFEZYLIDVUKV-WWPVKYPJSA-N 2 2 396.579 3.560 20 0 GHADLP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000554859748 865055343 /nfs/dbraw/zinc/05/53/43/865055343.db2.gz UUWFEZYLIDVUKV-WWPVKYPJSA-N 2 2 396.579 3.560 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000429539470 881838487 /nfs/dbraw/zinc/83/84/87/881838487.db2.gz LCWMXRJOBIJCRM-NRFANRHFSA-N 2 2 389.559 3.903 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000429539470 881838507 /nfs/dbraw/zinc/83/85/07/881838507.db2.gz LCWMXRJOBIJCRM-NRFANRHFSA-N 2 2 389.559 3.903 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CC[C@H]3CCCC[NH+]3C)n2)C1 ZINC000608267176 865130788 /nfs/dbraw/zinc/13/07/88/865130788.db2.gz BPFUMIOWPBAXDK-SJLPKXTDSA-N 2 2 393.601 3.713 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CC[C@H]3CCCC[NH+]3C)n2)C1 ZINC000608267176 865130796 /nfs/dbraw/zinc/13/07/96/865130796.db2.gz BPFUMIOWPBAXDK-SJLPKXTDSA-N 2 2 393.601 3.713 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)n2)C1 ZINC000608267176 865130807 /nfs/dbraw/zinc/13/08/07/865130807.db2.gz BPFUMIOWPBAXDK-SJLPKXTDSA-N 2 2 393.601 3.713 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N(C)CC[C@H]3CCCC[N@H+]3C)n2)C1 ZINC000608267176 865130819 /nfs/dbraw/zinc/13/08/19/865130819.db2.gz BPFUMIOWPBAXDK-SJLPKXTDSA-N 2 2 393.601 3.713 20 0 GHADLP FC(F)(F)c1ccccc1Cn1cncc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168364480 865244188 /nfs/dbraw/zinc/24/41/88/865244188.db2.gz DIVJMQXPTAZJFU-UHFFFAOYSA-N 2 2 392.469 3.914 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000301345158 865300821 /nfs/dbraw/zinc/30/08/21/865300821.db2.gz JMGIXDVUARKOLS-KRWDZBQOSA-N 2 2 397.519 3.633 20 0 GHADLP Fc1ccc2c(NCc3cccc(OCC[NH+]4CCOCC4)c3)cc[nH+]c2c1 ZINC000301387466 865329480 /nfs/dbraw/zinc/32/94/80/865329480.db2.gz XTTKHULAQGMCHH-UHFFFAOYSA-N 2 2 381.451 3.697 20 0 GHADLP CC1CC[NH+](Cc2cccc(CNC(=O)Nc3ccc4[nH+]ccn4c3)c2)CC1 ZINC000738949978 865665471 /nfs/dbraw/zinc/66/54/71/865665471.db2.gz PBIDROFLDLHMSF-UHFFFAOYSA-N 2 2 377.492 3.888 20 0 GHADLP CCC[C@H](C)[C@@H]1CCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000494559673 881907668 /nfs/dbraw/zinc/90/76/68/881907668.db2.gz WKFTXSOWOXCRHN-PMACEKPBSA-N 2 2 378.605 3.547 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000555339498 865927875 /nfs/dbraw/zinc/92/78/75/865927875.db2.gz BCXOLQVPTMJGMY-UHFFFAOYSA-N 2 2 389.547 3.981 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000555339498 865927887 /nfs/dbraw/zinc/92/78/87/865927887.db2.gz BCXOLQVPTMJGMY-UHFFFAOYSA-N 2 2 389.547 3.981 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(F)cc1F ZINC000481181138 865940806 /nfs/dbraw/zinc/94/08/06/865940806.db2.gz YUGMFNMQMNFWHA-TWOQFEAHSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(F)cc1F ZINC000481181138 865940811 /nfs/dbraw/zinc/94/08/11/865940811.db2.gz YUGMFNMQMNFWHA-TWOQFEAHSA-N 2 2 387.474 3.792 20 0 GHADLP CCN(C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000481186382 865951531 /nfs/dbraw/zinc/95/15/31/865951531.db2.gz FRUUYKPBNVNAOT-JTAQYXEDSA-N 2 2 379.548 3.928 20 0 GHADLP CCN(C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000481186382 865951541 /nfs/dbraw/zinc/95/15/41/865951541.db2.gz FRUUYKPBNVNAOT-JTAQYXEDSA-N 2 2 379.548 3.928 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)oc(=O)n3C)CC[N@@H+]1Cc1ccccc1 ZINC000508485270 865960970 /nfs/dbraw/zinc/96/09/70/865960970.db2.gz XCFITHCSYALXTJ-XLIONFOSSA-N 2 2 379.504 3.616 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)oc(=O)n3C)CC[N@H+]1Cc1ccccc1 ZINC000508485270 865960984 /nfs/dbraw/zinc/96/09/84/865960984.db2.gz XCFITHCSYALXTJ-XLIONFOSSA-N 2 2 379.504 3.616 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)oc(=O)n3C)CC[NH+]1Cc1ccccc1 ZINC000508485270 865960993 /nfs/dbraw/zinc/96/09/93/865960993.db2.gz XCFITHCSYALXTJ-XLIONFOSSA-N 2 2 379.504 3.616 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)oc(=O)n3C)CC[NH+]1Cc1ccccc1 ZINC000508485270 865961011 /nfs/dbraw/zinc/96/10/11/865961011.db2.gz XCFITHCSYALXTJ-XLIONFOSSA-N 2 2 379.504 3.616 20 0 GHADLP C[N@@H+]1CCC[C@H](CNc2cc(N3CCSCC3)[nH+]cn2)[C@@H]1c1cccs1 ZINC000302872761 865966379 /nfs/dbraw/zinc/96/63/79/865966379.db2.gz CEVPXWSMTVWSKO-DNVCBOLYSA-N 2 2 389.594 3.586 20 0 GHADLP C[N@H+]1CCC[C@H](CNc2cc(N3CCSCC3)[nH+]cn2)[C@@H]1c1cccs1 ZINC000302872761 865966389 /nfs/dbraw/zinc/96/63/89/865966389.db2.gz CEVPXWSMTVWSKO-DNVCBOLYSA-N 2 2 389.594 3.586 20 0 GHADLP C[N@@H+]1CCC[C@H](CNc2cc(N3CCSCC3)nc[nH+]2)[C@@H]1c1cccs1 ZINC000302872761 865966401 /nfs/dbraw/zinc/96/64/01/865966401.db2.gz CEVPXWSMTVWSKO-DNVCBOLYSA-N 2 2 389.594 3.586 20 0 GHADLP C[N@H+]1CCC[C@H](CNc2cc(N3CCSCC3)nc[nH+]2)[C@@H]1c1cccs1 ZINC000302872761 865966409 /nfs/dbraw/zinc/96/64/09/865966409.db2.gz CEVPXWSMTVWSKO-DNVCBOLYSA-N 2 2 389.594 3.586 20 0 GHADLP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481194444 865981140 /nfs/dbraw/zinc/98/11/40/865981140.db2.gz VDYCNKFUDGWGHI-MHECFPHRSA-N 2 2 398.522 3.950 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534128460 866178785 /nfs/dbraw/zinc/17/87/85/866178785.db2.gz JDIIUXXAKPISKP-ZWKOTPCHSA-N 2 2 380.536 3.786 20 0 GHADLP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc(C)c1OC(F)F ZINC000741258526 866359246 /nfs/dbraw/zinc/35/92/46/866359246.db2.gz NFRYTTXATIETGS-QFIPXVFZSA-N 2 2 390.474 3.631 20 0 GHADLP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc(C)c1OC(F)F ZINC000741258526 866359248 /nfs/dbraw/zinc/35/92/48/866359248.db2.gz NFRYTTXATIETGS-QFIPXVFZSA-N 2 2 390.474 3.631 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CC[NH+](Cc4ccccc4)C3)n2)C1 ZINC000552906329 866471835 /nfs/dbraw/zinc/47/18/35/866471835.db2.gz YMNFEZQJGVFUPI-HKUYNNGSSA-N 2 2 398.576 3.836 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CC[NH+](Cc4ccccc4)C3)n2)C1 ZINC000552906329 866471847 /nfs/dbraw/zinc/47/18/47/866471847.db2.gz YMNFEZQJGVFUPI-HKUYNNGSSA-N 2 2 398.576 3.836 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)n2)C1 ZINC000552906329 866471859 /nfs/dbraw/zinc/47/18/59/866471859.db2.gz YMNFEZQJGVFUPI-HKUYNNGSSA-N 2 2 398.576 3.836 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2)C1 ZINC000552906329 866471866 /nfs/dbraw/zinc/47/18/66/866471866.db2.gz YMNFEZQJGVFUPI-HKUYNNGSSA-N 2 2 398.576 3.836 20 0 GHADLP CC(C)[C@@H](CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000552970184 866543768 /nfs/dbraw/zinc/54/37/68/866543768.db2.gz NCMRXCCAKNXGOO-NHCUHLMSSA-N 2 2 382.552 3.804 20 0 GHADLP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000534315534 866547411 /nfs/dbraw/zinc/54/74/11/866547411.db2.gz UNQVPNQZGBJGQW-CKEIUWERSA-N 2 2 380.414 3.812 20 0 GHADLP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000534315534 866547429 /nfs/dbraw/zinc/54/74/29/866547429.db2.gz UNQVPNQZGBJGQW-CKEIUWERSA-N 2 2 380.414 3.812 20 0 GHADLP CCc1ccsc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358624 866643695 /nfs/dbraw/zinc/64/36/95/866643695.db2.gz FWZFIMBMCXJBFY-RTBURBONSA-N 2 2 377.598 3.720 20 0 GHADLP CCc1ccsc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358624 866643699 /nfs/dbraw/zinc/64/36/99/866643699.db2.gz FWZFIMBMCXJBFY-RTBURBONSA-N 2 2 377.598 3.720 20 0 GHADLP C[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1ccn(-c3ccccc3)n1)c1ccccc1O2 ZINC000553093187 866785414 /nfs/dbraw/zinc/78/54/14/866785414.db2.gz BQMOWLJWFRUAKB-QFIPXVFZSA-N 2 2 388.515 3.950 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000152960023 866886182 /nfs/dbraw/zinc/88/61/82/866886182.db2.gz UORFMEYXMLHMID-ZODMCCGTSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000152960023 866886189 /nfs/dbraw/zinc/88/61/89/866886189.db2.gz UORFMEYXMLHMID-ZODMCCGTSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152960023 866886198 /nfs/dbraw/zinc/88/61/98/866886198.db2.gz UORFMEYXMLHMID-ZODMCCGTSA-N 2 2 392.591 3.936 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152960023 866886207 /nfs/dbraw/zinc/88/62/07/866886207.db2.gz UORFMEYXMLHMID-ZODMCCGTSA-N 2 2 392.591 3.936 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153767160 867067396 /nfs/dbraw/zinc/06/73/96/867067396.db2.gz VIERSAWIKPINAB-HOCLYGCPSA-N 2 2 379.932 3.672 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000153767160 867067410 /nfs/dbraw/zinc/06/74/10/867067410.db2.gz VIERSAWIKPINAB-HOCLYGCPSA-N 2 2 379.932 3.672 20 0 GHADLP C[C@H](Cc1ccc(Cl)cc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000153783810 867075833 /nfs/dbraw/zinc/07/58/33/867075833.db2.gz VYXLMFONHVNVMJ-GOSISDBHSA-N 2 2 391.987 3.585 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1nnc(-c2ccccc2)n1C ZINC000189947939 882048783 /nfs/dbraw/zinc/04/87/83/882048783.db2.gz ZJKSADKDWNWNRL-OALUTQOASA-N 2 2 389.547 3.728 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@H](C)C1 ZINC000154011920 867205753 /nfs/dbraw/zinc/20/57/53/867205753.db2.gz XXZBDDMFDQTSHT-HKBOAZHASA-N 2 2 377.573 3.533 20 0 GHADLP CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@H](C)C1 ZINC000154011920 867205772 /nfs/dbraw/zinc/20/57/72/867205772.db2.gz XXZBDDMFDQTSHT-HKBOAZHASA-N 2 2 377.573 3.533 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)[C@H](C)C1 ZINC000154011920 867205780 /nfs/dbraw/zinc/20/57/80/867205780.db2.gz XXZBDDMFDQTSHT-HKBOAZHASA-N 2 2 377.573 3.533 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)[C@H](C)C1 ZINC000154011920 867205795 /nfs/dbraw/zinc/20/57/95/867205795.db2.gz XXZBDDMFDQTSHT-HKBOAZHASA-N 2 2 377.573 3.533 20 0 GHADLP C/C(=C\C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000857162912 882069357 /nfs/dbraw/zinc/06/93/57/882069357.db2.gz RVVDZPSDYLSQOL-YIVRLKKSSA-N 2 2 389.609 3.947 20 0 GHADLP C/C(=C\C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000857162912 882069370 /nfs/dbraw/zinc/06/93/70/882069370.db2.gz RVVDZPSDYLSQOL-YIVRLKKSSA-N 2 2 389.609 3.947 20 0 GHADLP C[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1cccs1 ZINC000534870990 867640364 /nfs/dbraw/zinc/64/03/64/867640364.db2.gz TVHSZCHQXZOETE-IBGZPJMESA-N 2 2 391.968 3.787 20 0 GHADLP C[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1cccs1 ZINC000534870990 867640372 /nfs/dbraw/zinc/64/03/72/867640372.db2.gz TVHSZCHQXZOETE-IBGZPJMESA-N 2 2 391.968 3.787 20 0 GHADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCCO2 ZINC000155169599 867781511 /nfs/dbraw/zinc/78/15/11/867781511.db2.gz OMGXZVNTSNNYMH-HSZRJFAPSA-N 2 2 396.531 3.710 20 0 GHADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000479477823 867838573 /nfs/dbraw/zinc/83/85/73/867838573.db2.gz DTANUUPNTRAXSC-DVHLICQRSA-N 2 2 384.490 3.841 20 0 GHADLP Cc1cc(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c(C)c[nH+]1 ZINC000535061453 868014700 /nfs/dbraw/zinc/01/47/00/868014700.db2.gz WAVINWGOTBRUCB-UHFFFAOYSA-N 2 2 386.927 3.807 20 0 GHADLP CCC(=O)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097672 868162705 /nfs/dbraw/zinc/16/27/05/868162705.db2.gz WNUIVLVGMZPAEW-FGZHOGPDSA-N 2 2 399.579 3.689 20 0 GHADLP CCC(=O)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097672 868162712 /nfs/dbraw/zinc/16/27/12/868162712.db2.gz WNUIVLVGMZPAEW-FGZHOGPDSA-N 2 2 399.579 3.689 20 0 GHADLP CN(C(=O)c1cncc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000270088380 868191810 /nfs/dbraw/zinc/19/18/10/868191810.db2.gz ZBSHWAIVACHCKZ-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cncc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000270088380 868191816 /nfs/dbraw/zinc/19/18/16/868191816.db2.gz ZBSHWAIVACHCKZ-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC3CCC(C(C)(C)C)CC3)CC2)CC1 ZINC000157134068 868569603 /nfs/dbraw/zinc/56/96/03/868569603.db2.gz PPQUCMNGLFUAHS-UHFFFAOYSA-N 2 2 377.617 3.904 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435874 868706652 /nfs/dbraw/zinc/70/66/52/868706652.db2.gz INJMFPWXNGKMRF-UYAOXDASSA-N 2 2 380.536 3.618 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435874 868706662 /nfs/dbraw/zinc/70/66/62/868706662.db2.gz INJMFPWXNGKMRF-UYAOXDASSA-N 2 2 380.536 3.618 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535576188 869029021 /nfs/dbraw/zinc/02/90/21/869029021.db2.gz QHTDDUXPSVVUGL-QZTJIDSGSA-N 2 2 378.520 3.714 20 0 GHADLP c1nc2c(s1)C[NH+](Cc1ccc(C[N@@H+]3CCc4ncsc4C3)cc1)CC2 ZINC000445867560 869096849 /nfs/dbraw/zinc/09/68/49/869096849.db2.gz WMABFSRRZSOUPC-UHFFFAOYSA-N 2 2 382.558 3.716 20 0 GHADLP c1nc2c(s1)C[NH+](Cc1ccc(C[N@H+]3CCc4ncsc4C3)cc1)CC2 ZINC000445867560 869096854 /nfs/dbraw/zinc/09/68/54/869096854.db2.gz WMABFSRRZSOUPC-UHFFFAOYSA-N 2 2 382.558 3.716 20 0 GHADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000539494211 869216461 /nfs/dbraw/zinc/21/64/61/869216461.db2.gz BRJGYFUMZUKFKH-QGZVFWFLSA-N 2 2 385.552 3.897 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(Br)c1 ZINC000793583787 882288718 /nfs/dbraw/zinc/28/87/18/882288718.db2.gz IRUALYIUZLTFJU-MRXNPFEDSA-N 2 2 394.313 3.637 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-n2cccn2)cc1 ZINC000539658043 869543902 /nfs/dbraw/zinc/54/39/02/869543902.db2.gz LPECGTHIIDCCOE-LAUBAEHRSA-N 2 2 376.508 3.581 20 0 GHADLP CC(C)[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000539658759 869547159 /nfs/dbraw/zinc/54/71/59/869547159.db2.gz HDLZBTSWCYYDDX-DYESRHJHSA-N 2 2 395.507 3.878 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@@H]21 ZINC000539895246 869982547 /nfs/dbraw/zinc/98/25/47/869982547.db2.gz ALGNKWBIIAEKBY-APWZRJJASA-N 2 2 389.341 3.551 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@@H]21 ZINC000539895246 869982554 /nfs/dbraw/zinc/98/25/54/869982554.db2.gz ALGNKWBIIAEKBY-APWZRJJASA-N 2 2 389.341 3.551 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@@H]21 ZINC000539895246 869982562 /nfs/dbraw/zinc/98/25/62/869982562.db2.gz ALGNKWBIIAEKBY-APWZRJJASA-N 2 2 389.341 3.551 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@@H]21 ZINC000539895246 869982569 /nfs/dbraw/zinc/98/25/69/869982569.db2.gz ALGNKWBIIAEKBY-APWZRJJASA-N 2 2 389.341 3.551 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000462899900 870329265 /nfs/dbraw/zinc/32/92/65/870329265.db2.gz FVEORIRESSBHTA-UHFFFAOYSA-N 2 2 382.907 3.732 20 0 GHADLP C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538730792 870458457 /nfs/dbraw/zinc/45/84/57/870458457.db2.gz PSFYBGAFIWOTRI-FQEVSTJZSA-N 2 2 378.495 3.965 20 0 GHADLP C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538730792 870458471 /nfs/dbraw/zinc/45/84/71/870458471.db2.gz PSFYBGAFIWOTRI-FQEVSTJZSA-N 2 2 378.495 3.965 20 0 GHADLP C[NH+](Cc1cnn(-c2ccc(F)cc2)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538730792 870458485 /nfs/dbraw/zinc/45/84/85/870458485.db2.gz PSFYBGAFIWOTRI-FQEVSTJZSA-N 2 2 378.495 3.965 20 0 GHADLP C[NH+](Cc1cnn(-c2ccc(F)cc2)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538730792 870458502 /nfs/dbraw/zinc/45/85/02/870458502.db2.gz PSFYBGAFIWOTRI-FQEVSTJZSA-N 2 2 378.495 3.965 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnn(CC(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000538732959 870473693 /nfs/dbraw/zinc/47/36/93/870473693.db2.gz GCRQCYJRHGMQJA-LPHOPBHVSA-N 2 2 380.458 3.930 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnn(CC(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000538732959 870473700 /nfs/dbraw/zinc/47/37/00/870473700.db2.gz GCRQCYJRHGMQJA-LPHOPBHVSA-N 2 2 380.458 3.930 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnn(CC(F)(F)F)c2)CC[NH+]1Cc1ccccc1 ZINC000538732959 870473703 /nfs/dbraw/zinc/47/37/03/870473703.db2.gz GCRQCYJRHGMQJA-LPHOPBHVSA-N 2 2 380.458 3.930 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnn(CC(F)(F)F)c2)CC[NH+]1Cc1ccccc1 ZINC000538732959 870473706 /nfs/dbraw/zinc/47/37/06/870473706.db2.gz GCRQCYJRHGMQJA-LPHOPBHVSA-N 2 2 380.458 3.930 20 0 GHADLP CS(=O)(=O)c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000538761846 870603232 /nfs/dbraw/zinc/60/32/32/870603232.db2.gz GJHFGMNONUTVBE-UHFFFAOYSA-N 2 2 398.572 3.578 20 0 GHADLP CS(=O)(=O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000538761846 870603245 /nfs/dbraw/zinc/60/32/45/870603245.db2.gz GJHFGMNONUTVBE-UHFFFAOYSA-N 2 2 398.572 3.578 20 0 GHADLP C[C@H](NC(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000920874006 882428990 /nfs/dbraw/zinc/42/89/90/882428990.db2.gz FKMJWYJBPKYNNB-QXAHSBQVSA-N 2 2 381.524 3.640 20 0 GHADLP CSc1ccc2cc(C[N@H+](C)CCCN3CC[NH+](C)CC3)c(Cl)nc2c1 ZINC000746462977 870792801 /nfs/dbraw/zinc/79/28/01/870792801.db2.gz FNOOAOURWODJLE-UHFFFAOYSA-N 2 2 393.000 3.679 20 0 GHADLP CSc1ccc2cc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)c(Cl)nc2c1 ZINC000746462977 870792810 /nfs/dbraw/zinc/79/28/10/870792810.db2.gz FNOOAOURWODJLE-UHFFFAOYSA-N 2 2 393.000 3.679 20 0 GHADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC000463072300 870830911 /nfs/dbraw/zinc/83/09/11/870830911.db2.gz PLBUYNFWGPWZOG-UHFFFAOYSA-N 2 2 389.297 3.779 20 0 GHADLP COC(=O)C1(C)CCC([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001168795611 870837677 /nfs/dbraw/zinc/83/76/77/870837677.db2.gz CFDONEWCVYNXNN-UHFFFAOYSA-N 2 2 376.516 3.844 20 0 GHADLP COC(=O)C1(C)CCC([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001168795611 870837684 /nfs/dbraw/zinc/83/76/84/870837684.db2.gz CFDONEWCVYNXNN-UHFFFAOYSA-N 2 2 376.516 3.844 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC000617764448 870843739 /nfs/dbraw/zinc/84/37/39/870843739.db2.gz XXPBXMNGQXZOAK-UHFFFAOYSA-N 2 2 390.531 3.515 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC000617764448 870843747 /nfs/dbraw/zinc/84/37/47/870843747.db2.gz XXPBXMNGQXZOAK-UHFFFAOYSA-N 2 2 390.531 3.515 20 0 GHADLP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000540302672 870948310 /nfs/dbraw/zinc/94/83/10/870948310.db2.gz QWAXDFAWRAOGQO-RTBURBONSA-N 2 2 399.501 3.935 20 0 GHADLP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000540302672 870948323 /nfs/dbraw/zinc/94/83/23/870948323.db2.gz QWAXDFAWRAOGQO-RTBURBONSA-N 2 2 399.501 3.935 20 0 GHADLP OCC[C@H]([NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1cccs1 ZINC001193236856 870964576 /nfs/dbraw/zinc/96/45/76/870964576.db2.gz AYRRKVOKTWDBEU-IBGZPJMESA-N 2 2 393.984 3.627 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463137394 870984578 /nfs/dbraw/zinc/98/45/78/870984578.db2.gz QPOLIDRTTWBIDG-PXDATVDWSA-N 2 2 393.575 3.662 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463137394 870984593 /nfs/dbraw/zinc/98/45/93/870984593.db2.gz QPOLIDRTTWBIDG-PXDATVDWSA-N 2 2 393.575 3.662 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463137394 870984600 /nfs/dbraw/zinc/98/46/00/870984600.db2.gz QPOLIDRTTWBIDG-PXDATVDWSA-N 3 2 393.575 3.662 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463137394 870984616 /nfs/dbraw/zinc/98/46/16/870984616.db2.gz QPOLIDRTTWBIDG-PXDATVDWSA-N 3 2 393.575 3.662 20 0 GHADLP COc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc(Br)c1OC ZINC001203775634 871021584 /nfs/dbraw/zinc/02/15/84/871021584.db2.gz WBYOZZJWHZBNFA-UHFFFAOYSA-N 2 2 385.346 3.771 20 0 GHADLP COc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc(Br)c1OC ZINC001203775634 871021604 /nfs/dbraw/zinc/02/16/04/871021604.db2.gz WBYOZZJWHZBNFA-UHFFFAOYSA-N 2 2 385.346 3.771 20 0 GHADLP Cc1ccc(N2CCC[C@H]([NH+]3CCC(CCCn4cc[nH+]c4)CC3)C2=O)cc1 ZINC001193336465 871029579 /nfs/dbraw/zinc/02/95/79/871029579.db2.gz RTFDEYPBPWQEHH-QFIPXVFZSA-N 2 2 380.536 3.879 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000463165673 871062485 /nfs/dbraw/zinc/06/24/85/871062485.db2.gz XXVAXEDIEAIRBY-QGZVFWFLSA-N 2 2 392.528 3.828 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004726 871091435 /nfs/dbraw/zinc/09/14/35/871091435.db2.gz ONWCNYYWIOQJBG-CTNGQTDRSA-N 2 2 392.465 3.988 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004726 871091448 /nfs/dbraw/zinc/09/14/48/871091448.db2.gz ONWCNYYWIOQJBG-CTNGQTDRSA-N 2 2 392.465 3.988 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004726 871091462 /nfs/dbraw/zinc/09/14/62/871091462.db2.gz ONWCNYYWIOQJBG-CTNGQTDRSA-N 2 2 392.465 3.988 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001169004726 871091476 /nfs/dbraw/zinc/09/14/76/871091476.db2.gz ONWCNYYWIOQJBG-CTNGQTDRSA-N 2 2 392.465 3.988 20 0 GHADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C(=O)N1c1ccccc1 ZINC000463194950 871104806 /nfs/dbraw/zinc/10/48/06/871104806.db2.gz XIYWPGYXFHEUEF-MBSDFSHPSA-N 2 2 395.522 3.616 20 0 GHADLP CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001193517607 871156740 /nfs/dbraw/zinc/15/67/40/871156740.db2.gz WSMQVWJIKXZFPV-XMMPIXPASA-N 2 2 382.548 3.682 20 0 GHADLP CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001193517607 871156744 /nfs/dbraw/zinc/15/67/44/871156744.db2.gz WSMQVWJIKXZFPV-XMMPIXPASA-N 2 2 382.548 3.682 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(F)c1 ZINC001193663221 871222689 /nfs/dbraw/zinc/22/26/89/871222689.db2.gz QGHUNKMHBVOFEN-YWZLYKJASA-N 2 2 389.902 3.918 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(F)c1 ZINC001193663221 871222700 /nfs/dbraw/zinc/22/27/00/871222700.db2.gz QGHUNKMHBVOFEN-YWZLYKJASA-N 2 2 389.902 3.918 20 0 GHADLP Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)C2)c1 ZINC001169147864 871258109 /nfs/dbraw/zinc/25/81/09/871258109.db2.gz BTCVDEMZYCGGBH-VXKWHMMOSA-N 2 2 388.515 3.631 20 0 GHADLP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)C2)c1 ZINC001169147864 871258127 /nfs/dbraw/zinc/25/81/27/871258127.db2.gz BTCVDEMZYCGGBH-VXKWHMMOSA-N 2 2 388.515 3.631 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)c(C)c1 ZINC000540507170 871443135 /nfs/dbraw/zinc/44/31/35/871443135.db2.gz YKTTUIHACSVYOL-UGKGYDQZSA-N 2 2 397.544 3.693 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000539222579 871536780 /nfs/dbraw/zinc/53/67/80/871536780.db2.gz WIJTZHFOFMQUQQ-GOSISDBHSA-N 2 2 395.334 3.876 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000539222579 871536794 /nfs/dbraw/zinc/53/67/94/871536794.db2.gz WIJTZHFOFMQUQQ-GOSISDBHSA-N 2 2 395.334 3.876 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000525979813 871850147 /nfs/dbraw/zinc/85/01/47/871850147.db2.gz DZXGXNQQHXTSHQ-HXUWFJFHSA-N 2 2 394.563 3.940 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000525979813 871850168 /nfs/dbraw/zinc/85/01/68/871850168.db2.gz DZXGXNQQHXTSHQ-HXUWFJFHSA-N 2 2 394.563 3.940 20 0 GHADLP CCN(C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000526013005 871900040 /nfs/dbraw/zinc/90/00/40/871900040.db2.gz RFDQOYULUXMNDS-PMACEKPBSA-N 2 2 394.563 3.761 20 0 GHADLP CCN(C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000526013005 871900057 /nfs/dbraw/zinc/90/00/57/871900057.db2.gz RFDQOYULUXMNDS-PMACEKPBSA-N 2 2 394.563 3.761 20 0 GHADLP CCN(C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000526013005 871900075 /nfs/dbraw/zinc/90/00/75/871900075.db2.gz RFDQOYULUXMNDS-PMACEKPBSA-N 2 2 394.563 3.761 20 0 GHADLP CCN(C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000526013005 871900098 /nfs/dbraw/zinc/90/00/98/871900098.db2.gz RFDQOYULUXMNDS-PMACEKPBSA-N 2 2 394.563 3.761 20 0 GHADLP OC1(C[NH+]2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)CCCCC1 ZINC001194905216 872023292 /nfs/dbraw/zinc/02/32/92/872023292.db2.gz GDHDKSTXEUZTAY-UHFFFAOYSA-N 2 2 391.987 3.622 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(OCc2cccnc2)c1 ZINC000447723992 872211581 /nfs/dbraw/zinc/21/15/81/872211581.db2.gz SMWDPRFVIYDZOX-OAQYLSRUSA-N 2 2 395.547 3.833 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(OCc2cccnc2)c1 ZINC000447723992 872211598 /nfs/dbraw/zinc/21/15/98/872211598.db2.gz SMWDPRFVIYDZOX-OAQYLSRUSA-N 2 2 395.547 3.833 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(OCc2cccnc2)c1 ZINC000447723992 872211617 /nfs/dbraw/zinc/21/16/17/872211617.db2.gz SMWDPRFVIYDZOX-OAQYLSRUSA-N 2 2 395.547 3.833 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(OCc2cccnc2)c1 ZINC000447723992 872211633 /nfs/dbraw/zinc/21/16/33/872211633.db2.gz SMWDPRFVIYDZOX-OAQYLSRUSA-N 2 2 395.547 3.833 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)c1ccccc1Cl ZINC000540848011 872308508 /nfs/dbraw/zinc/30/85/08/872308508.db2.gz NBQGIKFZUIBJPS-HXUWFJFHSA-N 2 2 388.943 3.615 20 0 GHADLP [NH3+][C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc(Cl)c1 ZINC000163860444 872613317 /nfs/dbraw/zinc/61/33/17/872613317.db2.gz QDLUMWZWLCWUMZ-LJQANCHMSA-N 2 2 392.330 3.774 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000552567941 872863621 /nfs/dbraw/zinc/86/36/21/872863621.db2.gz FSOMTMGAUMOIBG-SLYNCCJLSA-N 2 2 381.495 3.574 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000552567941 872863628 /nfs/dbraw/zinc/86/36/28/872863628.db2.gz FSOMTMGAUMOIBG-SLYNCCJLSA-N 2 2 381.495 3.574 20 0 GHADLP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541202411 873128129 /nfs/dbraw/zinc/12/81/29/873128129.db2.gz IMSYHHJYCSOYDO-OAHLLOKOSA-N 2 2 376.451 3.681 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000448260148 873137198 /nfs/dbraw/zinc/13/71/98/873137198.db2.gz JQDAXBFNKKNIDX-HKBOAZHASA-N 2 2 395.551 3.531 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000448260148 873137206 /nfs/dbraw/zinc/13/72/06/873137206.db2.gz JQDAXBFNKKNIDX-HKBOAZHASA-N 2 2 395.551 3.531 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000541248925 873237391 /nfs/dbraw/zinc/23/73/91/873237391.db2.gz HOINUWZDWNBUSA-INIZCTEOSA-N 2 2 395.975 3.845 20 0 GHADLP Cc1cc(Br)c(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1Br ZINC000527711056 873517604 /nfs/dbraw/zinc/51/76/04/873517604.db2.gz MRTIIZPDUBBEIN-LLVKDONJSA-N 2 2 399.130 3.890 20 0 GHADLP O=C(CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC001197263986 873682857 /nfs/dbraw/zinc/68/28/57/873682857.db2.gz IKLIGUMGUCFDJT-DHIUTWEWSA-N 2 2 388.515 3.798 20 0 GHADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)CCN1c1cc[nH+]cc1 ZINC001197368737 873778095 /nfs/dbraw/zinc/77/80/95/873778095.db2.gz LXZDANHUYPMQEE-LJQANCHMSA-N 2 2 386.499 3.898 20 0 GHADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)CCN1c1cc[nH+]cc1 ZINC001197368737 873778105 /nfs/dbraw/zinc/77/81/05/873778105.db2.gz LXZDANHUYPMQEE-LJQANCHMSA-N 2 2 386.499 3.898 20 0 GHADLP CC(C)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCCCCC1 ZINC000921243947 882767286 /nfs/dbraw/zinc/76/72/86/882767286.db2.gz JYKCUDDQZZDCPB-NRFANRHFSA-N 2 2 383.540 3.572 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2csc3cnccc23)cc1 ZINC001198017188 874164488 /nfs/dbraw/zinc/16/44/88/874164488.db2.gz HGCHQYXAGTZYMN-UHFFFAOYSA-N 2 2 382.533 3.932 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2csc3cnccc23)cc1 ZINC001198017188 874164493 /nfs/dbraw/zinc/16/44/93/874164493.db2.gz HGCHQYXAGTZYMN-UHFFFAOYSA-N 2 2 382.533 3.932 20 0 GHADLP Cc1n[nH]c2cc(NC(=O)c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)cc(F)c12 ZINC001198022600 874184067 /nfs/dbraw/zinc/18/40/67/874184067.db2.gz XCYCZTXODXADCN-UHFFFAOYSA-N 2 2 397.498 3.646 20 0 GHADLP Cc1n[nH]c2cc(NC(=O)c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)cc(F)c12 ZINC001198022600 874184069 /nfs/dbraw/zinc/18/40/69/874184069.db2.gz XCYCZTXODXADCN-UHFFFAOYSA-N 2 2 397.498 3.646 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2cccc3[nH]c(=O)ccc23)cc1 ZINC001198030674 874188644 /nfs/dbraw/zinc/18/86/44/874188644.db2.gz NLIDCPVSLWAVOD-UHFFFAOYSA-N 2 2 392.503 3.576 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2cccc3[nH]c(=O)ccc23)cc1 ZINC001198030674 874188648 /nfs/dbraw/zinc/18/86/48/874188648.db2.gz NLIDCPVSLWAVOD-UHFFFAOYSA-N 2 2 392.503 3.576 20 0 GHADLP COc1ccccc1[C@@H](C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)N(C)C ZINC000449061524 874399162 /nfs/dbraw/zinc/39/91/62/874399162.db2.gz GMHYNSQCFZXVGP-HYBUGGRVSA-N 2 2 395.591 3.983 20 0 GHADLP COc1ccccc1[C@@H](CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1)[NH+](C)C ZINC000449061524 874399181 /nfs/dbraw/zinc/39/91/81/874399181.db2.gz GMHYNSQCFZXVGP-HYBUGGRVSA-N 2 2 395.591 3.983 20 0 GHADLP Fc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1Br ZINC000449088122 874485454 /nfs/dbraw/zinc/48/54/54/874485454.db2.gz HIFHJXNPKLTQJO-UHFFFAOYSA-N 2 2 393.300 3.710 20 0 GHADLP CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806411 874561886 /nfs/dbraw/zinc/56/18/86/874561886.db2.gz PPARUGCSDYSHAE-FQEVSTJZSA-N 2 2 394.563 3.840 20 0 GHADLP CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806411 874561891 /nfs/dbraw/zinc/56/18/91/874561891.db2.gz PPARUGCSDYSHAE-FQEVSTJZSA-N 2 2 394.563 3.840 20 0 GHADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449193000 874567810 /nfs/dbraw/zinc/56/78/10/874567810.db2.gz ZIFLGIAAQTUTLS-UHFFFAOYSA-N 2 2 387.593 3.907 20 0 GHADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cccnc2OCC(F)F)CC1 ZINC000449213508 874593974 /nfs/dbraw/zinc/59/39/74/874593974.db2.gz WNFSPHAPRWDATG-KRWDZBQOSA-N 2 2 389.490 3.911 20 0 GHADLP CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844171 874617664 /nfs/dbraw/zinc/61/76/64/874617664.db2.gz FFHFDVZUOWTUKZ-QFIPXVFZSA-N 2 2 397.538 3.628 20 0 GHADLP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844171 874617673 /nfs/dbraw/zinc/61/76/73/874617673.db2.gz FFHFDVZUOWTUKZ-QFIPXVFZSA-N 2 2 397.538 3.628 20 0 GHADLP CCN(Cc1cccc(F)c1)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844171 874617685 /nfs/dbraw/zinc/61/76/85/874617685.db2.gz FFHFDVZUOWTUKZ-QFIPXVFZSA-N 2 2 397.538 3.628 20 0 GHADLP CCN(Cc1cccc(F)c1)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464844171 874617689 /nfs/dbraw/zinc/61/76/89/874617689.db2.gz FFHFDVZUOWTUKZ-QFIPXVFZSA-N 2 2 397.538 3.628 20 0 GHADLP CC(C)c1ccc2c(c1)CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001198845337 874652146 /nfs/dbraw/zinc/65/21/46/874652146.db2.gz ZBGALONLGKEZPW-HSZRJFAPSA-N 2 2 379.548 3.587 20 0 GHADLP CC(C)c1ccc2c(c1)CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001198845337 874652153 /nfs/dbraw/zinc/65/21/53/874652153.db2.gz ZBGALONLGKEZPW-HSZRJFAPSA-N 2 2 379.548 3.587 20 0 GHADLP COc1ccc([C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C(C)C)cc1 ZINC001199045866 874774496 /nfs/dbraw/zinc/77/44/96/874774496.db2.gz WROSRPZZYWFJEI-DEOSSOPVSA-N 2 2 398.547 3.893 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)ccc2[nH+]1 ZINC001199768332 875173042 /nfs/dbraw/zinc/17/30/42/875173042.db2.gz YNBQSQNYWOCDPS-VQIMIIECSA-N 2 2 377.492 3.532 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)ccc2[nH+]1 ZINC001199768332 875173043 /nfs/dbraw/zinc/17/30/43/875173043.db2.gz YNBQSQNYWOCDPS-VQIMIIECSA-N 2 2 377.492 3.532 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)C2 ZINC000476727800 882939678 /nfs/dbraw/zinc/93/96/78/882939678.db2.gz KNKPCZIRBPNLBO-UGKGYDQZSA-N 2 2 396.579 3.911 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C)C2 ZINC000476727800 882939687 /nfs/dbraw/zinc/93/96/87/882939687.db2.gz KNKPCZIRBPNLBO-UGKGYDQZSA-N 2 2 396.579 3.911 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)CC2 ZINC000476727800 882939699 /nfs/dbraw/zinc/93/96/99/882939699.db2.gz KNKPCZIRBPNLBO-UGKGYDQZSA-N 2 2 396.579 3.911 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C)CC2 ZINC000476727800 882939707 /nfs/dbraw/zinc/93/97/07/882939707.db2.gz KNKPCZIRBPNLBO-UGKGYDQZSA-N 2 2 396.579 3.911 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC[C@H](C)[NH+]2CCCCC2)c(C)c1 ZINC000542450305 875594187 /nfs/dbraw/zinc/59/41/87/875594187.db2.gz GOKOUYPMDZTVMM-UNMCSNQZSA-N 2 2 397.567 3.805 20 0 GHADLP CCCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1Nc1ccc(N)[nH+]c1 ZINC001201292084 875596122 /nfs/dbraw/zinc/59/61/22/875596122.db2.gz IZMGNYFQDHAAMZ-UHFFFAOYSA-N 2 2 386.496 3.695 20 0 GHADLP CC[NH+](CC)c1ccc(Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC001201610025 875785527 /nfs/dbraw/zinc/78/55/27/875785527.db2.gz GCIHSABQIWUSGS-UHFFFAOYSA-N 2 2 380.536 3.972 20 0 GHADLP CC[C@H](CC(F)(F)F)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450225603 876114297 /nfs/dbraw/zinc/11/42/97/876114297.db2.gz HCDVCACPZDGAPI-KBAYOESNSA-N 2 2 391.522 3.761 20 0 GHADLP CC[C@H](CC(F)(F)F)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450225603 876114300 /nfs/dbraw/zinc/11/43/00/876114300.db2.gz HCDVCACPZDGAPI-KBAYOESNSA-N 2 2 391.522 3.761 20 0 GHADLP C[NH+]1CCC([N@H+](CCC(F)(F)F)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001202367686 876165975 /nfs/dbraw/zinc/16/59/75/876165975.db2.gz DZCVNBNAHVRFNZ-UHFFFAOYSA-N 2 2 393.494 3.735 20 0 GHADLP C[NH+]1CCC([N@@H+](CCC(F)(F)F)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001202367686 876165981 /nfs/dbraw/zinc/16/59/81/876165981.db2.gz DZCVNBNAHVRFNZ-UHFFFAOYSA-N 2 2 393.494 3.735 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000529497524 876220290 /nfs/dbraw/zinc/22/02/90/876220290.db2.gz HFOVIZZAFWRLOE-UHFFFAOYSA-N 2 2 398.378 3.555 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000529497524 876220306 /nfs/dbraw/zinc/22/03/06/876220306.db2.gz HFOVIZZAFWRLOE-UHFFFAOYSA-N 2 2 398.378 3.555 20 0 GHADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000173434939 876386701 /nfs/dbraw/zinc/38/67/01/876386701.db2.gz JPQOMYKPOSEYGU-UHFFFAOYSA-N 2 2 397.567 3.623 20 0 GHADLP Cc1c2cc(F)ccc2oc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460501081 883062832 /nfs/dbraw/zinc/06/28/32/883062832.db2.gz FRJKKVMUYLMJRB-UHFFFAOYSA-N 2 2 387.499 3.560 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cccnc3N3CCCC3)CC2)cc1 ZINC000850353037 876844437 /nfs/dbraw/zinc/84/44/37/876844437.db2.gz QKVGZUAHLMSCOS-UHFFFAOYSA-N 2 2 379.552 3.506 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000850512548 876983237 /nfs/dbraw/zinc/98/32/37/876983237.db2.gz GZSVEZBKONAVGI-WBVHZDCISA-N 2 2 387.911 3.522 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000850512548 876983246 /nfs/dbraw/zinc/98/32/46/876983246.db2.gz GZSVEZBKONAVGI-WBVHZDCISA-N 2 2 387.911 3.522 20 0 GHADLP COC(=O)c1nc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)ccc1Cl ZINC000850514601 876985841 /nfs/dbraw/zinc/98/58/41/876985841.db2.gz VCEHASPUMWQORB-YOEHRIQHSA-N 2 2 379.932 3.654 20 0 GHADLP CC[N@@H+](Cc1nc(Cc2ccccc2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394435 877005450 /nfs/dbraw/zinc/00/54/50/877005450.db2.gz WTFPBQLWIWAFCU-UHFFFAOYSA-N 2 2 391.519 3.794 20 0 GHADLP CC[N@H+](Cc1nc(Cc2ccccc2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394435 877005463 /nfs/dbraw/zinc/00/54/63/877005463.db2.gz WTFPBQLWIWAFCU-UHFFFAOYSA-N 2 2 391.519 3.794 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cc2cc(Br)nn2C)CC1)CC1CC1 ZINC000787211986 877257651 /nfs/dbraw/zinc/25/76/51/877257651.db2.gz WDYYDWHGKPTJJM-UHFFFAOYSA-N 2 2 383.378 3.517 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cc2cc(Br)nn2C)CC1)CC1CC1 ZINC000787211986 877257664 /nfs/dbraw/zinc/25/76/64/877257664.db2.gz WDYYDWHGKPTJJM-UHFFFAOYSA-N 2 2 383.378 3.517 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134925585 883113394 /nfs/dbraw/zinc/11/33/94/883113394.db2.gz DTOYKQXLKQLKFB-HGHGUNKESA-N 2 2 389.971 3.808 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134925585 883113401 /nfs/dbraw/zinc/11/34/01/883113401.db2.gz DTOYKQXLKQLKFB-HGHGUNKESA-N 2 2 389.971 3.808 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134925585 883113410 /nfs/dbraw/zinc/11/34/10/883113410.db2.gz DTOYKQXLKQLKFB-HGHGUNKESA-N 2 2 389.971 3.808 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134925585 883113416 /nfs/dbraw/zinc/11/34/16/883113416.db2.gz DTOYKQXLKQLKFB-HGHGUNKESA-N 2 2 389.971 3.808 20 0 GHADLP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000787287034 877295598 /nfs/dbraw/zinc/29/55/98/877295598.db2.gz SNRQGLFGNWZSIA-OAHLLOKOSA-N 2 2 389.908 3.650 20 0 GHADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000530223564 877310274 /nfs/dbraw/zinc/31/02/74/877310274.db2.gz SVFWVDGKKRNMCU-UTKZUKDTSA-N 2 2 376.504 3.849 20 0 GHADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)oc1C ZINC000667006646 877606933 /nfs/dbraw/zinc/60/69/33/877606933.db2.gz HLJQHJIVQYNAMJ-YADHBBJMSA-N 3 2 382.552 3.586 20 0 GHADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCN[C@H](c4ccccc4)C3)CC2)oc1C ZINC000667006646 877606948 /nfs/dbraw/zinc/60/69/48/877606948.db2.gz HLJQHJIVQYNAMJ-YADHBBJMSA-N 2 2 382.552 3.586 20 0 GHADLP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000477470001 877693465 /nfs/dbraw/zinc/69/34/65/877693465.db2.gz KAIXTIBPHQWBBU-GOSISDBHSA-N 2 2 386.565 3.807 20 0 GHADLP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000477470001 877693469 /nfs/dbraw/zinc/69/34/69/877693469.db2.gz KAIXTIBPHQWBBU-GOSISDBHSA-N 2 2 386.565 3.807 20 0 GHADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000788260142 877965491 /nfs/dbraw/zinc/96/54/91/877965491.db2.gz UQFNNLULLKTZEZ-IEBWSBKVSA-N 2 2 375.557 3.585 20 0 GHADLP C[C@]1(c2ccccc2)CC(=O)N(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000788382621 878046680 /nfs/dbraw/zinc/04/66/80/878046680.db2.gz PBWXOTUQXLCNSK-DEOSSOPVSA-N 2 2 392.547 3.547 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000788565148 878156919 /nfs/dbraw/zinc/15/69/19/878156919.db2.gz ZFLNAWOVOCGPRD-MJGOQNOKSA-N 2 2 384.524 3.998 20 0 GHADLP CCCn1c(C)nn(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1=S ZINC000179918547 878213555 /nfs/dbraw/zinc/21/35/55/878213555.db2.gz ATQSTHJTDJEWPE-UHFFFAOYSA-N 2 2 388.585 3.724 20 0 GHADLP CCCn1c(C)nn(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1=S ZINC000179918547 878213576 /nfs/dbraw/zinc/21/35/76/878213576.db2.gz ATQSTHJTDJEWPE-UHFFFAOYSA-N 2 2 388.585 3.724 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000746755583 878225148 /nfs/dbraw/zinc/22/51/48/878225148.db2.gz GFSAUHKXAZTWCI-HXUWFJFHSA-N 2 2 397.910 3.628 20 0 GHADLP CN(C(=O)c1ccc(Cl)s1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245682109 878368277 /nfs/dbraw/zinc/36/82/77/878368277.db2.gz HQMGMSDKQVUJGY-HZPDHXFCSA-N 2 2 383.989 3.811 20 0 GHADLP CN(C(=O)c1ccc(Cl)s1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245682109 878368299 /nfs/dbraw/zinc/36/82/99/878368299.db2.gz HQMGMSDKQVUJGY-HZPDHXFCSA-N 2 2 383.989 3.811 20 0 GHADLP O=C1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccccc1F ZINC000245743445 878518715 /nfs/dbraw/zinc/51/87/15/878518715.db2.gz SALGKHDJZAJKKM-IIZPIQPGSA-N 2 2 393.506 3.716 20 0 GHADLP O=C1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccccc1F ZINC000245743445 878518723 /nfs/dbraw/zinc/51/87/23/878518723.db2.gz SALGKHDJZAJKKM-IIZPIQPGSA-N 2 2 393.506 3.716 20 0 GHADLP CN(C(=O)c1cc2c(s1)CCC2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245748975 878537034 /nfs/dbraw/zinc/53/70/34/878537034.db2.gz XCGVZKQKSZRVAE-RBUKOAKNSA-N 2 2 389.609 3.646 20 0 GHADLP CN(C(=O)c1cc2c(s1)CCC2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245748975 878537039 /nfs/dbraw/zinc/53/70/39/878537039.db2.gz XCGVZKQKSZRVAE-RBUKOAKNSA-N 2 2 389.609 3.646 20 0 GHADLP OC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000537941186 878556353 /nfs/dbraw/zinc/55/63/53/878556353.db2.gz KNYVIXHVRLOBCG-FQEVSTJZSA-N 2 2 389.337 3.737 20 0 GHADLP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccccc3)c3ccc(F)cc3)cn2)CC1 ZINC000177204622 878598406 /nfs/dbraw/zinc/59/84/06/878598406.db2.gz MGAIXWUAYZKEDW-XMMPIXPASA-N 2 2 390.506 3.852 20 0 GHADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 ZINC000451990609 878785645 /nfs/dbraw/zinc/78/56/45/878785645.db2.gz RKPMJNQGYVVUSX-UHFFFAOYSA-N 2 2 390.959 3.809 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000246206036 879202756 /nfs/dbraw/zinc/20/27/56/879202756.db2.gz MDODVLLHJJDAGW-PGRDOPGGSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000246206036 879202774 /nfs/dbraw/zinc/20/27/74/879202774.db2.gz MDODVLLHJJDAGW-PGRDOPGGSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000246206036 879202791 /nfs/dbraw/zinc/20/27/91/879202791.db2.gz MDODVLLHJJDAGW-PGRDOPGGSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000246206036 879202806 /nfs/dbraw/zinc/20/28/06/879202806.db2.gz MDODVLLHJJDAGW-PGRDOPGGSA-N 2 2 381.520 3.585 20 0 GHADLP c1ccc2c(c1)CC[C@@H]2CNc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000790055670 879434906 /nfs/dbraw/zinc/43/49/06/879434906.db2.gz QFNDVYOBPDQYDQ-GOSISDBHSA-N 2 2 376.504 3.580 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000180953519 879524671 /nfs/dbraw/zinc/52/46/71/879524671.db2.gz HVVREYTZHFQDJN-HXUWFJFHSA-N 2 2 380.492 3.892 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000854223222 879640513 /nfs/dbraw/zinc/64/05/13/879640513.db2.gz RKJIOPVZSFGYCB-IPHXSNPTSA-N 2 2 383.467 3.579 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000854223782 879641818 /nfs/dbraw/zinc/64/18/18/879641818.db2.gz HLFIHDOSJFHCIG-IWMITWMQSA-N 2 2 383.467 3.579 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H]2CCc3ccccc3OC2)CCOCC1)c1ccccc1 ZINC000493870676 879685549 /nfs/dbraw/zinc/68/55/49/879685549.db2.gz FXYUGICEDADPDE-DENIHFKCSA-N 2 2 380.532 3.870 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000531427500 879817854 /nfs/dbraw/zinc/81/78/54/879817854.db2.gz XHTQVQPYSBLSCY-NRFANRHFSA-N 2 2 390.487 3.978 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000461466398 879886215 /nfs/dbraw/zinc/88/62/15/879886215.db2.gz IVHMHKUQTGDJMW-NRFANRHFSA-N 2 2 388.515 3.904 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000461466398 879886218 /nfs/dbraw/zinc/88/62/18/879886218.db2.gz IVHMHKUQTGDJMW-NRFANRHFSA-N 2 2 388.515 3.904 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000247025308 879889837 /nfs/dbraw/zinc/88/98/37/879889837.db2.gz MLHXGHDIQMQTKS-LBTNJELSSA-N 2 2 386.367 3.833 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000247025308 879889844 /nfs/dbraw/zinc/88/98/44/879889844.db2.gz MLHXGHDIQMQTKS-LBTNJELSSA-N 2 2 386.367 3.833 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000247025308 879889858 /nfs/dbraw/zinc/88/98/58/879889858.db2.gz MLHXGHDIQMQTKS-LBTNJELSSA-N 2 2 386.367 3.833 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000247025308 879889876 /nfs/dbraw/zinc/88/98/76/879889876.db2.gz MLHXGHDIQMQTKS-LBTNJELSSA-N 2 2 386.367 3.833 20 0 GHADLP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3occc3Br)cc2)CC1 ZINC000790621547 879891399 /nfs/dbraw/zinc/89/13/99/879891399.db2.gz AKQXWRLMXNOTLE-UHFFFAOYSA-N 2 2 379.298 3.805 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000247039552 879896586 /nfs/dbraw/zinc/89/65/86/879896586.db2.gz RUPLLJMLKKOPDY-WOJBJXKFSA-N 2 2 395.551 3.668 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000247039552 879896603 /nfs/dbraw/zinc/89/66/03/879896603.db2.gz RUPLLJMLKKOPDY-WOJBJXKFSA-N 2 2 395.551 3.668 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000247053300 879900374 /nfs/dbraw/zinc/90/03/74/879900374.db2.gz ZJMNYFKVDMZBHY-NEOGFGCTSA-N 2 2 395.547 3.947 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000247053300 879900382 /nfs/dbraw/zinc/90/03/82/879900382.db2.gz ZJMNYFKVDMZBHY-NEOGFGCTSA-N 2 2 395.547 3.947 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000247053300 879900393 /nfs/dbraw/zinc/90/03/93/879900393.db2.gz ZJMNYFKVDMZBHY-NEOGFGCTSA-N 2 2 395.547 3.947 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000247053300 879900405 /nfs/dbraw/zinc/90/04/05/879900405.db2.gz ZJMNYFKVDMZBHY-NEOGFGCTSA-N 2 2 395.547 3.947 20 0 GHADLP CCCc1csc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)n1 ZINC000494116497 879914088 /nfs/dbraw/zinc/91/40/88/879914088.db2.gz MGCZXFLZCLOVDE-HNNXBMFYSA-N 2 2 376.545 3.837 20 0 GHADLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000152961685 879991772 /nfs/dbraw/zinc/99/17/72/879991772.db2.gz UYPDUVRJEYCASL-QGZVFWFLSA-N 2 2 377.960 3.868 20 0 GHADLP COC(=O)c1csc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000286011109 912537217 /nfs/dbraw/zinc/53/72/17/912537217.db2.gz IDFDBESVBKYMMR-AWEZNQCLSA-N 2 2 388.537 3.633 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ncc(-c2ccccc2)n1C ZINC000453073619 880424799 /nfs/dbraw/zinc/42/47/99/880424799.db2.gz ZXCGSKUTGIWXMN-LJQANCHMSA-N 2 2 390.531 3.770 20 0 GHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1ccccc1Cl)c1ccsc1 ZINC000453111628 880483387 /nfs/dbraw/zinc/48/33/87/880483387.db2.gz PDPUOIPUHFSRPQ-RTBURBONSA-N 2 2 391.968 3.615 20 0 GHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1ccccc1Cl)c1ccsc1 ZINC000453111628 880483395 /nfs/dbraw/zinc/48/33/95/880483395.db2.gz PDPUOIPUHFSRPQ-RTBURBONSA-N 2 2 391.968 3.615 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000187025208 881053455 /nfs/dbraw/zinc/05/34/55/881053455.db2.gz DYAKDTFJCSSQHA-NQIIRXRSSA-N 2 2 389.584 3.649 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000187025208 881053472 /nfs/dbraw/zinc/05/34/72/881053472.db2.gz DYAKDTFJCSSQHA-NQIIRXRSSA-N 2 2 389.584 3.649 20 0 GHADLP CC[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCO1 ZINC001170177075 881185962 /nfs/dbraw/zinc/18/59/62/881185962.db2.gz DOYGANOLUGESLG-TZRRMPRUSA-N 2 2 382.548 3.597 20 0 GHADLP Cc1cc(C)cc([C@@H](C)NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000074135131 881326038 /nfs/dbraw/zinc/32/60/38/881326038.db2.gz KLFAXYVTJWFUSA-HXUWFJFHSA-N 2 2 386.584 3.614 20 0 GHADLP Cc1cc(C)cc([C@H](C)NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000074135132 881326457 /nfs/dbraw/zinc/32/64/57/881326457.db2.gz KLFAXYVTJWFUSA-FQEVSTJZSA-N 2 2 386.584 3.614 20 0 GHADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)Nc1ccn2cc[nH+]c2c1 ZINC000666975751 883601472 /nfs/dbraw/zinc/60/14/72/883601472.db2.gz XXWXXCRYGMWBMY-IBGZPJMESA-N 2 2 389.503 3.758 20 0 GHADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)Nc1ccn2cc[nH+]c2c1 ZINC000666975751 883601481 /nfs/dbraw/zinc/60/14/81/883601481.db2.gz XXWXXCRYGMWBMY-IBGZPJMESA-N 2 2 389.503 3.758 20 0 GHADLP CCOc1ccc(-c2noc(C[N@H+](C)Cc3ccc(C[NH+](C)C)cc3)n2)cc1 ZINC000859215125 883668615 /nfs/dbraw/zinc/66/86/15/883668615.db2.gz ZSEZHDOMISPKTJ-UHFFFAOYSA-N 2 2 380.492 3.829 20 0 GHADLP CCOc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(C[NH+](C)C)cc3)n2)cc1 ZINC000859215125 883668628 /nfs/dbraw/zinc/66/86/28/883668628.db2.gz ZSEZHDOMISPKTJ-UHFFFAOYSA-N 2 2 380.492 3.829 20 0 GHADLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1)c1cccc(Cl)c1 ZINC001130124265 883678100 /nfs/dbraw/zinc/67/81/00/883678100.db2.gz CCFCRAHWWNPHCG-HJNYFJLDSA-N 2 2 397.950 3.676 20 0 GHADLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)c1cccc(Cl)c1 ZINC001130124265 883678104 /nfs/dbraw/zinc/67/81/04/883678104.db2.gz CCFCRAHWWNPHCG-HJNYFJLDSA-N 2 2 397.950 3.676 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H](CNC1CC[NH+](Cc2ccccn2)CC1)C1CC1 ZINC000186878114 883726935 /nfs/dbraw/zinc/72/69/35/883726935.db2.gz ZMIBUVTYOCWXNC-XMMPIXPASA-N 2 2 378.564 3.546 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H](CNC1CC[NH+](Cc2ccccn2)CC1)C1CC1 ZINC000186878114 883726945 /nfs/dbraw/zinc/72/69/45/883726945.db2.gz ZMIBUVTYOCWXNC-XMMPIXPASA-N 2 2 378.564 3.546 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000729603132 883756368 /nfs/dbraw/zinc/75/63/68/883756368.db2.gz GPVFOTKUQWQMGQ-QUCCMNQESA-N 2 2 380.621 3.506 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000729603132 883756370 /nfs/dbraw/zinc/75/63/70/883756370.db2.gz GPVFOTKUQWQMGQ-QUCCMNQESA-N 2 2 380.621 3.506 20 0 GHADLP O[C@@H](COc1ccc(Oc2ccccc2)cc1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495009801 884369398 /nfs/dbraw/zinc/36/93/98/884369398.db2.gz VLVHKIHSSOYRQP-RBUKOAKNSA-N 2 2 393.487 3.821 20 0 GHADLP O[C@@H](COc1ccc(Oc2ccccc2)cc1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495009801 884369417 /nfs/dbraw/zinc/36/94/17/884369417.db2.gz VLVHKIHSSOYRQP-RBUKOAKNSA-N 2 2 393.487 3.821 20 0 GHADLP Cc1cc(Br)cn2c(CN3CCC([NH2+]C4CCC4)CC3)c[nH+]c12 ZINC000897981136 884543039 /nfs/dbraw/zinc/54/30/39/884543039.db2.gz IHJJFOIVVJKAQX-UHFFFAOYSA-N 2 2 377.330 3.512 20 0 GHADLP C[C@@H]1C[C@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCN1C(=O)OC(C)(C)C ZINC001183864644 912884951 /nfs/dbraw/zinc/88/49/51/912884951.db2.gz MSFUVWZYCPTHCI-QZTJIDSGSA-N 2 2 388.556 3.994 20 0 GHADLP CC(C[NH+]1CCCC[C@H]1c1cnn(C)c1)C[N@@H+]1CCCC[C@H]1c1cnn(C)c1 ZINC000556532997 885260301 /nfs/dbraw/zinc/26/03/01/885260301.db2.gz AQBDHQSXLWVBEZ-VXKWHMMOSA-N 2 2 384.572 3.544 20 0 GHADLP CC(C[NH+]1CCCC[C@H]1c1cnn(C)c1)C[N@H+]1CCCC[C@H]1c1cnn(C)c1 ZINC000556532997 885260325 /nfs/dbraw/zinc/26/03/25/885260325.db2.gz AQBDHQSXLWVBEZ-VXKWHMMOSA-N 2 2 384.572 3.544 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000107275789 885331396 /nfs/dbraw/zinc/33/13/96/885331396.db2.gz FCEKRQBOAYIAEH-UHFFFAOYSA-N 2 2 392.547 3.988 20 0 GHADLP C[NH+](C)C[C@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(Cl)c(Cl)c1 ZINC001170526525 885502685 /nfs/dbraw/zinc/50/26/85/885502685.db2.gz RJUJKMLDKFDDMU-HNNXBMFYSA-N 2 2 377.275 3.674 20 0 GHADLP c1cn(Cc2ccccc2)nc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000556607720 885631025 /nfs/dbraw/zinc/63/10/25/885631025.db2.gz ASPDFMSTHTZDBU-ICDZXHCJSA-N 2 2 386.543 3.932 20 0 GHADLP c1cn(Cc2ccccc2)nc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556607720 885631040 /nfs/dbraw/zinc/63/10/40/885631040.db2.gz ASPDFMSTHTZDBU-ICDZXHCJSA-N 2 2 386.543 3.932 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498843566 885914754 /nfs/dbraw/zinc/91/47/54/885914754.db2.gz KGZPJWAAEHKSMQ-CTNGQTDRSA-N 2 2 389.559 3.617 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498843566 885914765 /nfs/dbraw/zinc/91/47/65/885914765.db2.gz KGZPJWAAEHKSMQ-CTNGQTDRSA-N 2 2 389.559 3.617 20 0 GHADLP Cc1ccc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000532583487 886177544 /nfs/dbraw/zinc/17/75/44/886177544.db2.gz ZOHVEQJWQDTUJT-FQEVSTJZSA-N 2 2 395.547 3.767 20 0 GHADLP Cc1ccc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000532583487 886177552 /nfs/dbraw/zinc/17/75/52/886177552.db2.gz ZOHVEQJWQDTUJT-FQEVSTJZSA-N 2 2 395.547 3.767 20 0 GHADLP COCCOCc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000808390799 886320896 /nfs/dbraw/zinc/32/08/96/886320896.db2.gz CNAMZJCEEHDVKS-UHFFFAOYSA-N 2 2 397.563 3.674 20 0 GHADLP C[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[NH+]1CCC(C)CC1 ZINC000119004409 886330332 /nfs/dbraw/zinc/33/03/32/886330332.db2.gz XCRHJHPNEZIYKG-KRWDZBQOSA-N 2 2 377.960 3.655 20 0 GHADLP O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000795948659 913064774 /nfs/dbraw/zinc/06/47/74/913064774.db2.gz ASDURTHYBLLSAA-JWQCQUIFSA-N 2 2 393.575 3.787 20 0 GHADLP O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000795948659 913064778 /nfs/dbraw/zinc/06/47/78/913064778.db2.gz ASDURTHYBLLSAA-JWQCQUIFSA-N 2 2 393.575 3.787 20 0 GHADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000132284116 886774019 /nfs/dbraw/zinc/77/40/19/886774019.db2.gz PVXUEDGSIXGDSJ-GOSISDBHSA-N 2 2 377.488 3.986 20 0 GHADLP Cc1ccc([C@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C2CC2)cc1 ZINC000465504828 886839146 /nfs/dbraw/zinc/83/91/46/886839146.db2.gz ZOOSIJNNAIRGDO-QFIPXVFZSA-N 2 2 398.595 3.696 20 0 GHADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C[C@@H](C)O1 ZINC000237571356 886964657 /nfs/dbraw/zinc/96/46/57/886964657.db2.gz JIVXFTCQROLWDZ-WOJBJXKFSA-N 2 2 396.579 3.814 20 0 GHADLP C[C@H]1C[NH+](CCC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C[C@H](C)O1 ZINC000237611663 886969493 /nfs/dbraw/zinc/96/94/93/886969493.db2.gz CCZXHYYGUKUKHR-KBPBESRZSA-N 2 2 385.335 3.858 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000536594538 887397232 /nfs/dbraw/zinc/39/72/32/887397232.db2.gz RYZZGHRTWRXJDX-FIKGOQFSSA-N 2 2 376.504 3.629 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000536594538 887397239 /nfs/dbraw/zinc/39/72/39/887397239.db2.gz RYZZGHRTWRXJDX-FIKGOQFSSA-N 2 2 376.504 3.629 20 0 GHADLP C[NH+](C)Cc1cnc(C[N@H+](C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000809546634 887560088 /nfs/dbraw/zinc/56/00/88/887560088.db2.gz BWKUTKBHRHLKNQ-UHFFFAOYSA-N 2 2 394.585 3.569 20 0 GHADLP C[NH+](C)Cc1cnc(C[N@@H+](C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000809546634 887560098 /nfs/dbraw/zinc/56/00/98/887560098.db2.gz BWKUTKBHRHLKNQ-UHFFFAOYSA-N 2 2 394.585 3.569 20 0 GHADLP C[NH+](C)C1(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCC1 ZINC000119870183 887566116 /nfs/dbraw/zinc/56/61/16/887566116.db2.gz PAXWIESCPKEKIN-UHFFFAOYSA-N 2 2 384.351 3.558 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)cn1 ZINC000809608425 887578931 /nfs/dbraw/zinc/57/89/31/887578931.db2.gz RIRABDFRBFOCNZ-UHFFFAOYSA-N 2 2 387.528 3.701 20 0 GHADLP Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(C)c[nH+]1 ZINC000536618096 887669224 /nfs/dbraw/zinc/66/92/24/887669224.db2.gz DWWWYIKPAOEWEH-KXBFYZLASA-N 2 2 390.890 3.727 20 0 GHADLP Cc1cc(NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(C)c[nH+]1 ZINC000536618096 887669228 /nfs/dbraw/zinc/66/92/28/887669228.db2.gz DWWWYIKPAOEWEH-KXBFYZLASA-N 2 2 390.890 3.727 20 0 GHADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000810218293 888296961 /nfs/dbraw/zinc/29/69/61/888296961.db2.gz HOZPJXYTUKLUFC-QWFCFKBJSA-N 2 2 390.572 3.575 20 0 GHADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000810218293 888296971 /nfs/dbraw/zinc/29/69/71/888296971.db2.gz HOZPJXYTUKLUFC-QWFCFKBJSA-N 2 2 390.572 3.575 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CC(F)F ZINC000865432050 888347411 /nfs/dbraw/zinc/34/74/11/888347411.db2.gz WEXQPMCUFGDISM-OAHLLOKOSA-N 2 2 380.439 3.510 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cc(F)ccc3N(C)C)CC2)cc1 ZINC000865590466 888462731 /nfs/dbraw/zinc/46/27/31/888462731.db2.gz OBXOZYOQKDQIGV-UHFFFAOYSA-N 2 2 398.526 3.604 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C[C@@H]1C(F)(F)F ZINC001168509816 888987984 /nfs/dbraw/zinc/98/79/84/888987984.db2.gz QNTNOLLPRSZVCX-HZPDHXFCSA-N 2 2 393.494 3.782 20 0 GHADLP CN(C(=O)CCc1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124528997 889662672 /nfs/dbraw/zinc/66/26/72/889662672.db2.gz SZVSDTJAMXSZEW-VXKWHMMOSA-N 2 2 389.559 3.554 20 0 GHADLP CN(C(=O)CCc1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124528997 889662682 /nfs/dbraw/zinc/66/26/82/889662682.db2.gz SZVSDTJAMXSZEW-VXKWHMMOSA-N 2 2 389.559 3.554 20 0 GHADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000124536487 889666344 /nfs/dbraw/zinc/66/63/44/889666344.db2.gz UIQORJGGMIYPJK-HXUWFJFHSA-N 2 2 394.563 3.816 20 0 GHADLP CN(C(=O)Cc1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124613078 889694751 /nfs/dbraw/zinc/69/47/51/889694751.db2.gz MZOLSMDGLAEOQQ-RTWAWAEBSA-N 2 2 391.987 3.678 20 0 GHADLP CN(C(=O)Cc1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124613078 889694759 /nfs/dbraw/zinc/69/47/59/889694759.db2.gz MZOLSMDGLAEOQQ-RTWAWAEBSA-N 2 2 391.987 3.678 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000124652338 889711178 /nfs/dbraw/zinc/71/11/78/889711178.db2.gz UWYVHQSFGLPGCW-LEWJYISDSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000124652338 889711189 /nfs/dbraw/zinc/71/11/89/889711189.db2.gz UWYVHQSFGLPGCW-LEWJYISDSA-N 2 2 375.532 3.543 20 0 GHADLP CN(C(=O)c1cc2ccccc2n1C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124873292 889798711 /nfs/dbraw/zinc/79/87/11/889798711.db2.gz CIMVWRGJTPGFHG-YADHBBJMSA-N 2 2 396.579 3.588 20 0 GHADLP CN(C(=O)c1cc2ccccc2n1C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124873292 889798720 /nfs/dbraw/zinc/79/87/20/889798720.db2.gz CIMVWRGJTPGFHG-YADHBBJMSA-N 2 2 396.579 3.588 20 0 GHADLP CC(C)C[C@H](C)OCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124886620 889804280 /nfs/dbraw/zinc/80/42/80/889804280.db2.gz KLHPKLGHWODQEK-BVSLBCMMSA-N 2 2 395.632 3.623 20 0 GHADLP CC(C)C[C@H](C)OCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124886620 889804284 /nfs/dbraw/zinc/80/42/84/889804284.db2.gz KLHPKLGHWODQEK-BVSLBCMMSA-N 2 2 395.632 3.623 20 0 GHADLP COC(=O)c1c(OC)cc[nH+]c1N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001170639707 889834668 /nfs/dbraw/zinc/83/46/68/889834668.db2.gz DXJCTMMHPLLNBZ-WZOJCFFYSA-N 2 2 395.503 3.509 20 0 GHADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000666755697 889844418 /nfs/dbraw/zinc/84/44/18/889844418.db2.gz CDAUZQPHOOZFNB-YUXAGFNASA-N 2 2 395.551 3.531 20 0 GHADLP Cc1ccc(N2CCC(C(=O)N3CC[NH+]([C@@H](C)c4ccccc4)CC3)CC2)[nH+]c1 ZINC000870123679 890222094 /nfs/dbraw/zinc/22/20/94/890222094.db2.gz IFNAVJRLXLKWBQ-FQEVSTJZSA-N 2 2 392.547 3.512 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]CC(=O)Nc2cccc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000812829112 891012542 /nfs/dbraw/zinc/01/25/42/891012542.db2.gz MNOPIFFCBWZSBD-RXVVDRJESA-N 2 2 388.515 3.816 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]CC(=O)Nc2cccc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000812829112 891012555 /nfs/dbraw/zinc/01/25/55/891012555.db2.gz MNOPIFFCBWZSBD-RXVVDRJESA-N 2 2 388.515 3.816 20 0 GHADLP CN(C(=O)c1cccc2c1ccn2C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533646521 891036293 /nfs/dbraw/zinc/03/62/93/891036293.db2.gz CTLUCWDFSYHHJJ-XZOQPEGZSA-N 2 2 396.579 3.588 20 0 GHADLP CN(C(=O)c1cccc2c1ccn2C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533646521 891036300 /nfs/dbraw/zinc/03/63/00/891036300.db2.gz CTLUCWDFSYHHJJ-XZOQPEGZSA-N 2 2 396.579 3.588 20 0 GHADLP C[C@H](c1ncc(Br)cn1)[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156951 891185384 /nfs/dbraw/zinc/18/53/84/891185384.db2.gz MRJKZLXIQXQNLC-KEYYUXOJSA-N 2 2 381.362 3.920 20 0 GHADLP C[C@H](c1ncc(Br)cn1)[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156951 891185388 /nfs/dbraw/zinc/18/53/88/891185388.db2.gz MRJKZLXIQXQNLC-KEYYUXOJSA-N 2 2 381.362 3.920 20 0 GHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(O[C@@H]2CCOC2)c1 ZINC000246996586 891330834 /nfs/dbraw/zinc/33/08/34/891330834.db2.gz JQCPRUOLPYTVRE-UEVCKROQSA-N 2 2 395.547 3.558 20 0 GHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(O[C@@H]2CCOC2)c1 ZINC000246996586 891330852 /nfs/dbraw/zinc/33/08/52/891330852.db2.gz JQCPRUOLPYTVRE-UEVCKROQSA-N 2 2 395.547 3.558 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000247121198 891347559 /nfs/dbraw/zinc/34/75/59/891347559.db2.gz RDYJBEAKWASUIX-AUSIDOKSSA-N 2 2 397.538 3.769 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000247121198 891347578 /nfs/dbraw/zinc/34/75/78/891347578.db2.gz RDYJBEAKWASUIX-AUSIDOKSSA-N 2 2 397.538 3.769 20 0 GHADLP Cc1ccc(-c2nc(CN3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)cs2)cc1 ZINC000497510095 891767183 /nfs/dbraw/zinc/76/71/83/891767183.db2.gz YCOFGDIAMFTYDC-CBQGHPETSA-N 2 2 396.604 3.861 20 0 GHADLP Cc1ccc(-c2nc(CN3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)cs2)cc1 ZINC000497510095 891767195 /nfs/dbraw/zinc/76/71/95/891767195.db2.gz YCOFGDIAMFTYDC-CBQGHPETSA-N 2 2 396.604 3.861 20 0 GHADLP CN(C(=O)C(F)(F)c1ccccc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124653715 891801322 /nfs/dbraw/zinc/80/13/22/891801322.db2.gz NUAKPMYZWACCLW-PMACEKPBSA-N 2 2 393.522 3.574 20 0 GHADLP CN(C(=O)C(F)(F)c1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124653715 891801335 /nfs/dbraw/zinc/80/13/35/891801335.db2.gz NUAKPMYZWACCLW-PMACEKPBSA-N 2 2 393.522 3.574 20 0 GHADLP Clc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000162041927 892044412 /nfs/dbraw/zinc/04/44/12/892044412.db2.gz XOFAFHBDJTYDQG-OAQYLSRUSA-N 2 2 386.923 3.828 20 0 GHADLP C[NH2+]CCC1CC[NH+](Cc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000261992851 892190137 /nfs/dbraw/zinc/19/01/37/892190137.db2.gz MTGCDIIOLLOTNY-UHFFFAOYSA-N 2 2 386.561 3.649 20 0 GHADLP C[N@H+](C[C@@H](O)COc1cccc2[nH]ccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000128889488 892604687 /nfs/dbraw/zinc/60/46/87/892604687.db2.gz PTOONHKGVGTRQK-OAQYLSRUSA-N 2 2 393.531 3.504 20 0 GHADLP C[N@@H+](C[C@@H](O)COc1cccc2[nH]ccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000128889488 892604695 /nfs/dbraw/zinc/60/46/95/892604695.db2.gz PTOONHKGVGTRQK-OAQYLSRUSA-N 2 2 393.531 3.504 20 0 GHADLP CN(C(=O)Nc1cccc(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000162586159 892819212 /nfs/dbraw/zinc/81/92/12/892819212.db2.gz YGMZYBWAIAJAOO-UXHICEINSA-N 2 2 376.520 3.627 20 0 GHADLP CN(C(=O)Nc1cccc(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000162586159 892819230 /nfs/dbraw/zinc/81/92/30/892819230.db2.gz YGMZYBWAIAJAOO-UXHICEINSA-N 2 2 376.520 3.627 20 0 GHADLP COc1cc(OC)c(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000508715784 892867185 /nfs/dbraw/zinc/86/71/85/892867185.db2.gz XXVCIRMUGWBDJB-MJGOQNOKSA-N 2 2 384.520 3.713 20 0 GHADLP COc1cc(OC)c(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000508715784 892867204 /nfs/dbraw/zinc/86/72/04/892867204.db2.gz XXVCIRMUGWBDJB-MJGOQNOKSA-N 2 2 384.520 3.713 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508721006 892973814 /nfs/dbraw/zinc/97/38/14/892973814.db2.gz OGQCKBYFYAERCM-PXDATVDWSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721006 892973825 /nfs/dbraw/zinc/97/38/25/892973825.db2.gz OGQCKBYFYAERCM-PXDATVDWSA-N 3 2 393.575 3.519 20 0 GHADLP Cc1nn(C)c2ncc(C[NH+]3CCC(c4ccccc4)([NH+]4CCCC4)CC3)cc12 ZINC000933548094 893071514 /nfs/dbraw/zinc/07/15/14/893071514.db2.gz UOTVCBPGDFTJKZ-UHFFFAOYSA-N 2 2 389.547 3.864 20 0 GHADLP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000562964671 893225491 /nfs/dbraw/zinc/22/54/91/893225491.db2.gz ZBEDBDBJIMREIU-UNMCSNQZSA-N 2 2 392.547 3.666 20 0 GHADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2cc3c(ccnc3Cl)o2)c2ccccc2)CC1 ZINC000876874981 893369812 /nfs/dbraw/zinc/36/98/12/893369812.db2.gz ONLHXOXMPHEUMU-IBGZPJMESA-N 2 2 384.911 3.560 20 0 GHADLP C[C@](O)(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1Cl ZINC000815070262 893415113 /nfs/dbraw/zinc/41/51/13/893415113.db2.gz SANDDQDVHAPAGK-SJCJKPOMSA-N 2 2 398.732 3.913 20 0 GHADLP C[C@](O)(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1Cl ZINC000815070262 893415117 /nfs/dbraw/zinc/41/51/17/893415117.db2.gz SANDDQDVHAPAGK-SJCJKPOMSA-N 2 2 398.732 3.913 20 0 GHADLP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000536654165 893429078 /nfs/dbraw/zinc/42/90/78/893429078.db2.gz LLZABZGHFAIFCD-UHFFFAOYSA-N 2 2 389.503 3.573 20 0 GHADLP CCO[P@@](C)(=O)CC[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000877096093 893483656 /nfs/dbraw/zinc/48/36/56/893483656.db2.gz XODRDLUULWYUKA-AKJBCIBTSA-N 2 2 382.489 3.747 20 0 GHADLP Cc1cccc(N2CCC([NH2+]Cc3cccc(O)c3Br)CC2)[nH+]1 ZINC000459416053 893485354 /nfs/dbraw/zinc/48/53/54/893485354.db2.gz SEFXVZCONJNDFT-UHFFFAOYSA-N 2 2 376.298 3.617 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000444799991 893582436 /nfs/dbraw/zinc/58/24/36/893582436.db2.gz IPAFDEVXDNSDRE-LAUBAEHRSA-N 2 2 376.504 3.630 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000444799991 893582451 /nfs/dbraw/zinc/58/24/51/893582451.db2.gz IPAFDEVXDNSDRE-LAUBAEHRSA-N 2 2 376.504 3.630 20 0 GHADLP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C(=O)OC)cc1 ZINC000563667393 894046459 /nfs/dbraw/zinc/04/64/59/894046459.db2.gz ROGBNIKOVFLTGU-JOCHJYFZSA-N 2 2 382.504 3.546 20 0 GHADLP Cc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1Cl ZINC000878173941 894073821 /nfs/dbraw/zinc/07/38/21/894073821.db2.gz FMPAFTYCKGVKHO-UHFFFAOYSA-N 3 2 378.992 3.672 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(OC(F)F)c1 ZINC000537455939 895026812 /nfs/dbraw/zinc/02/68/12/895026812.db2.gz MNIOUCQQXURLJC-PBHICJAKSA-N 2 2 376.451 3.996 20 0 GHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000564482447 895029397 /nfs/dbraw/zinc/02/93/97/895029397.db2.gz WOPWDMOODJUZIV-QHCPKHFHSA-N 2 2 388.515 3.602 20 0 GHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000564482447 895029429 /nfs/dbraw/zinc/02/94/29/895029429.db2.gz WOPWDMOODJUZIV-QHCPKHFHSA-N 2 2 388.515 3.602 20 0 GHADLP Cc1[nH+]cn([C@H]2CCc3ccc(Br)cc3C2)c1CSCC[NH3+] ZINC001170855577 895345143 /nfs/dbraw/zinc/34/51/43/895345143.db2.gz ZEGHYWVAKLWUAF-INIZCTEOSA-N 2 2 380.355 3.876 20 0 GHADLP Cc1nccnc1[C@@H](C)[NH2+]CC(C[NH2+][C@H](C)c1nccnc1C)C1CCCC1 ZINC000880109836 895522221 /nfs/dbraw/zinc/52/22/21/895522221.db2.gz JNNZJCYRSSIPPX-QZTJIDSGSA-N 2 2 382.556 3.691 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000565476080 895663491 /nfs/dbraw/zinc/66/34/91/895663491.db2.gz JKGHNYQQOUJFRV-HXUWFJFHSA-N 2 2 389.421 3.643 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000565519861 895696674 /nfs/dbraw/zinc/69/66/74/895696674.db2.gz BQCILVNBGQVFAM-PBHICJAKSA-N 2 2 399.457 3.909 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000565519861 895696679 /nfs/dbraw/zinc/69/66/79/895696679.db2.gz BQCILVNBGQVFAM-PBHICJAKSA-N 2 2 399.457 3.909 20 0 GHADLP CC(C)(C)OC(=O)CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCOCC1 ZINC000565892657 895962031 /nfs/dbraw/zinc/96/20/31/895962031.db2.gz OYLCCTUGMMPPFY-UHFFFAOYSA-N 2 2 391.537 3.647 20 0 GHADLP CC(C)(C)OC(=O)CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCOCC1 ZINC000565892657 895962036 /nfs/dbraw/zinc/96/20/36/895962036.db2.gz OYLCCTUGMMPPFY-UHFFFAOYSA-N 2 2 391.537 3.647 20 0 GHADLP O[C@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000818945885 896286839 /nfs/dbraw/zinc/28/68/39/896286839.db2.gz SLNRINJWWTYGCR-LJQANCHMSA-N 2 2 375.394 3.773 20 0 GHADLP Cn1c[nH+]cc1CCC[N@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1F ZINC000566413451 896297895 /nfs/dbraw/zinc/29/78/95/896297895.db2.gz FXFFHGPYIHPDSY-UHFFFAOYSA-N 2 2 398.457 3.772 20 0 GHADLP Cn1c[nH+]cc1CCC[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1F ZINC000566413451 896297909 /nfs/dbraw/zinc/29/79/09/896297909.db2.gz FXFFHGPYIHPDSY-UHFFFAOYSA-N 2 2 398.457 3.772 20 0 GHADLP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386732 897550397 /nfs/dbraw/zinc/55/03/97/897550397.db2.gz MBOUMVGACKPGCY-QAPCUYQASA-N 2 2 383.883 3.680 20 0 GHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000883386872 897550488 /nfs/dbraw/zinc/55/04/88/897550488.db2.gz OEBISDHYZUFWNV-LAUBAEHRSA-N 2 2 376.460 3.932 20 0 GHADLP CCCC1(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000822469648 898392823 /nfs/dbraw/zinc/39/28/23/898392823.db2.gz BUUZFAPOXXBJKS-QGZVFWFLSA-N 2 2 376.545 3.605 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795629 898596821 /nfs/dbraw/zinc/59/68/21/898596821.db2.gz OKOXAPKDCOVTSX-IBGZPJMESA-N 2 2 388.515 3.814 20 0 GHADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)[NH+](CC)CC ZINC001136752452 899140915 /nfs/dbraw/zinc/14/09/15/899140915.db2.gz RAQSIIIDHHYQAL-MJGOQNOKSA-N 2 2 383.939 3.680 20 0 GHADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)[NH+](CC)CC ZINC001136752452 899140922 /nfs/dbraw/zinc/14/09/22/899140922.db2.gz RAQSIIIDHHYQAL-MJGOQNOKSA-N 2 2 383.939 3.680 20 0 GHADLP Cc1cc(Br)cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000774978588 914327399 /nfs/dbraw/zinc/32/73/99/914327399.db2.gz WZOAZFUTJHPERR-UHFFFAOYSA-N 2 2 389.337 3.880 20 0 GHADLP CC(C)[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000824199330 899450724 /nfs/dbraw/zinc/45/07/24/899450724.db2.gz IBJNCMUQRQGAKR-JOCHJYFZSA-N 2 2 390.535 3.818 20 0 GHADLP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000571321081 899828198 /nfs/dbraw/zinc/82/81/98/899828198.db2.gz DUBUBJPXJJLSER-SFHVURJKSA-N 2 2 397.548 3.509 20 0 GHADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCCCC1 ZINC000825139310 900001670 /nfs/dbraw/zinc/00/16/70/900001670.db2.gz DQLHKOJWGKDGOS-NRFANRHFSA-N 2 2 382.556 3.780 20 0 GHADLP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC001137021747 900099838 /nfs/dbraw/zinc/09/98/38/900099838.db2.gz XVBKULPVBYYYIH-QHCPKHFHSA-N 2 2 388.515 3.841 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)N3CCCCCC3)C2)s1 ZINC000572763028 900270960 /nfs/dbraw/zinc/27/09/60/900270960.db2.gz BCVRDPYQHLBVDT-MOPGFXCFSA-N 2 2 377.598 3.601 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)N3CCCCCC3)C2)s1 ZINC000572763028 900270974 /nfs/dbraw/zinc/27/09/74/900270974.db2.gz BCVRDPYQHLBVDT-MOPGFXCFSA-N 2 2 377.598 3.601 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)N3CCCCCC3)C2)s1 ZINC000572763028 900270985 /nfs/dbraw/zinc/27/09/85/900270985.db2.gz BCVRDPYQHLBVDT-MOPGFXCFSA-N 2 2 377.598 3.601 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)N3CCCCCC3)C2)s1 ZINC000572763028 900270995 /nfs/dbraw/zinc/27/09/95/900270995.db2.gz BCVRDPYQHLBVDT-MOPGFXCFSA-N 2 2 377.598 3.601 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(-c2nc(-c3ccc(OCC[NH+](C)C)cc3)no2)c1 ZINC000573841510 900657480 /nfs/dbraw/zinc/65/74/80/900657480.db2.gz GCNLJAFMVDFXCT-UHFFFAOYSA-N 2 2 389.459 3.838 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000574654287 900955320 /nfs/dbraw/zinc/95/53/20/900955320.db2.gz RPZJLNBZMDCIKM-QFIPXVFZSA-N 2 2 395.547 3.914 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000574654287 900955334 /nfs/dbraw/zinc/95/53/34/900955334.db2.gz RPZJLNBZMDCIKM-QFIPXVFZSA-N 2 2 395.547 3.914 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886522247 901118987 /nfs/dbraw/zinc/11/89/87/901118987.db2.gz FUSZFRGTRQGFPS-BZSNNMDCSA-N 2 2 378.442 3.588 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886522247 901118990 /nfs/dbraw/zinc/11/89/90/901118990.db2.gz FUSZFRGTRQGFPS-BZSNNMDCSA-N 2 2 378.442 3.588 20 0 GHADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3ccc(N4CCCC4)cc3C)CC2)[nH+]c1C ZINC000886664587 901213515 /nfs/dbraw/zinc/21/35/15/901213515.db2.gz QVKDOBNUBKFAIP-UHFFFAOYSA-N 2 2 395.551 3.753 20 0 GHADLP C[N@H+](Cc1ccccc1OC(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969096 901309317 /nfs/dbraw/zinc/30/93/17/901309317.db2.gz GHYDTMUHUVXXDN-UHFFFAOYSA-N 2 2 375.463 3.822 20 0 GHADLP C[N@@H+](Cc1ccccc1OC(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969096 901309329 /nfs/dbraw/zinc/30/93/29/901309329.db2.gz GHYDTMUHUVXXDN-UHFFFAOYSA-N 2 2 375.463 3.822 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000093318483 901540896 /nfs/dbraw/zinc/54/08/96/901540896.db2.gz ZJDZYFRCIGTEKZ-AVRDEDQJSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000093318483 901540899 /nfs/dbraw/zinc/54/08/99/901540899.db2.gz ZJDZYFRCIGTEKZ-AVRDEDQJSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2-c2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000093318483 901540906 /nfs/dbraw/zinc/54/09/06/901540906.db2.gz ZJDZYFRCIGTEKZ-AVRDEDQJSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000093318483 901540912 /nfs/dbraw/zinc/54/09/12/901540912.db2.gz ZJDZYFRCIGTEKZ-AVRDEDQJSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[N@@H+]1C ZINC000093644677 901559540 /nfs/dbraw/zinc/55/95/40/901559540.db2.gz DWCBIDAKMWTOFP-AUSIDOKSSA-N 2 2 389.547 3.908 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[N@H+]1C ZINC000093644677 901559553 /nfs/dbraw/zinc/55/95/53/901559553.db2.gz DWCBIDAKMWTOFP-AUSIDOKSSA-N 2 2 389.547 3.908 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[NH+]1C ZINC000093644677 901559562 /nfs/dbraw/zinc/55/95/62/901559562.db2.gz DWCBIDAKMWTOFP-AUSIDOKSSA-N 2 2 389.547 3.908 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[NH+]1C ZINC000093644677 901559576 /nfs/dbraw/zinc/55/95/76/901559576.db2.gz DWCBIDAKMWTOFP-AUSIDOKSSA-N 2 2 389.547 3.908 20 0 GHADLP O=C(NC1CC1)[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000576201206 901801405 /nfs/dbraw/zinc/80/14/05/901801405.db2.gz RPVMTXQKQNPMQH-ZJSXRUAMSA-N 2 2 391.559 3.898 20 0 GHADLP O=C(NC1CC1)[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000576201206 901801418 /nfs/dbraw/zinc/80/14/18/901801418.db2.gz RPVMTXQKQNPMQH-ZJSXRUAMSA-N 2 2 391.559 3.898 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576766712 902245537 /nfs/dbraw/zinc/24/55/37/902245537.db2.gz UQZGINDVGQPFHZ-JOCHJYFZSA-N 2 2 392.547 3.600 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576766712 902245549 /nfs/dbraw/zinc/24/55/49/902245549.db2.gz UQZGINDVGQPFHZ-JOCHJYFZSA-N 2 2 392.547 3.600 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cn1 ZINC000126468746 902326998 /nfs/dbraw/zinc/32/69/98/902326998.db2.gz FHUQXVAWNDUUCU-INIZCTEOSA-N 2 2 375.476 3.553 20 0 GHADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000576990938 902415409 /nfs/dbraw/zinc/41/54/09/902415409.db2.gz SPLBDICHFBONOX-QGZVFWFLSA-N 2 2 381.524 3.844 20 0 GHADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000576990938 902415413 /nfs/dbraw/zinc/41/54/13/902415413.db2.gz SPLBDICHFBONOX-QGZVFWFLSA-N 2 2 381.524 3.844 20 0 GHADLP C[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)C[C@@H]1n1cc[nH+]c1 ZINC000129395171 902803442 /nfs/dbraw/zinc/80/34/42/902803442.db2.gz DUYUFXMLPUGHJP-XLIONFOSSA-N 2 2 399.564 3.547 20 0 GHADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000264285932 902996620 /nfs/dbraw/zinc/99/66/20/902996620.db2.gz JDQLLFQDRNEXBZ-OAQYLSRUSA-N 2 2 380.536 3.660 20 0 GHADLP COc1cc(OC)c([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1Cl ZINC000133102899 903345304 /nfs/dbraw/zinc/34/53/04/903345304.db2.gz NGDKOPHCHSZWNL-HUUCEWRRSA-N 2 2 382.932 3.509 20 0 GHADLP CC[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000265140111 903660455 /nfs/dbraw/zinc/66/04/55/903660455.db2.gz NEMXMLWKDQLNRO-HNNXBMFYSA-N 2 2 386.993 3.520 20 0 GHADLP CC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000265140111 903660460 /nfs/dbraw/zinc/66/04/60/903660460.db2.gz NEMXMLWKDQLNRO-HNNXBMFYSA-N 2 2 386.993 3.520 20 0 GHADLP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C1)CC2 ZINC001171310891 903810832 /nfs/dbraw/zinc/81/08/32/903810832.db2.gz LGAFQJCSBBAKCA-SCTDSRPQSA-N 2 2 397.950 3.665 20 0 GHADLP COc1ccc(Cl)c2c1C[C@@H]([N@@H+]1C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C1)CC2 ZINC001171310891 903810844 /nfs/dbraw/zinc/81/08/44/903810844.db2.gz LGAFQJCSBBAKCA-SCTDSRPQSA-N 2 2 397.950 3.665 20 0 GHADLP COc1ccc(Cl)c2c1C[C@@H]([NH+]1C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C1)CC2 ZINC001171310891 903810853 /nfs/dbraw/zinc/81/08/53/903810853.db2.gz LGAFQJCSBBAKCA-SCTDSRPQSA-N 2 2 397.950 3.665 20 0 GHADLP COc1ccc(Cl)c2c1C[C@@H]([NH+]1C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C1)CC2 ZINC001171310891 903810865 /nfs/dbraw/zinc/81/08/65/903810865.db2.gz LGAFQJCSBBAKCA-SCTDSRPQSA-N 2 2 397.950 3.665 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000578443491 903848475 /nfs/dbraw/zinc/84/84/75/903848475.db2.gz YJRPGCWSXPDCSB-SIFCLUCFSA-N 2 2 387.911 3.698 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000578443491 903848479 /nfs/dbraw/zinc/84/84/79/903848479.db2.gz YJRPGCWSXPDCSB-SIFCLUCFSA-N 2 2 387.911 3.698 20 0 GHADLP Cn1cc[nH+]c1CCC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001148326224 904040832 /nfs/dbraw/zinc/04/08/32/904040832.db2.gz MTXRUNMFUAZIHD-UHFFFAOYSA-N 2 2 390.531 3.514 20 0 GHADLP Cn1cc[nH+]c1CCC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001148326224 904040844 /nfs/dbraw/zinc/04/08/44/904040844.db2.gz MTXRUNMFUAZIHD-UHFFFAOYSA-N 2 2 390.531 3.514 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000151689715 904179326 /nfs/dbraw/zinc/17/93/26/904179326.db2.gz KRRQZJYSXGZYGK-HZPDHXFCSA-N 2 2 384.505 3.656 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@H]2CCc3c(F)cc(F)cc3C2)cs1 ZINC001171342535 904278382 /nfs/dbraw/zinc/27/83/82/904278382.db2.gz UDTDWLDGJMIOQU-HNNXBMFYSA-N 2 2 397.560 3.863 20 0 GHADLP Fc1cc2c(cc1F)C[C@H]([N@@H+]1C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C1)CC2 ZINC001171482026 904723623 /nfs/dbraw/zinc/72/36/23/904723623.db2.gz CBQZADBLBNJMNR-HLAWJBBLSA-N 2 2 383.486 3.671 20 0 GHADLP Fc1cc2c(cc1F)C[C@H]([N@H+]1C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C1)CC2 ZINC001171482026 904723637 /nfs/dbraw/zinc/72/36/37/904723637.db2.gz CBQZADBLBNJMNR-HLAWJBBLSA-N 2 2 383.486 3.671 20 0 GHADLP Fc1cc2c(cc1F)C[C@H]([NH+]1C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C1)CC2 ZINC001171482026 904723644 /nfs/dbraw/zinc/72/36/44/904723644.db2.gz CBQZADBLBNJMNR-HLAWJBBLSA-N 2 2 383.486 3.671 20 0 GHADLP Fc1cc2c(cc1F)C[C@H]([NH+]1C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C1)CC2 ZINC001171482026 904723652 /nfs/dbraw/zinc/72/36/52/904723652.db2.gz CBQZADBLBNJMNR-HLAWJBBLSA-N 2 2 383.486 3.671 20 0 GHADLP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890261814 904967600 /nfs/dbraw/zinc/96/76/00/904967600.db2.gz BNRKDUUJRCKESN-QFIPXVFZSA-N 2 2 391.519 3.528 20 0 GHADLP Cc1[nH+]cn([C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1CSCC[NH3+] ZINC001171832962 905083838 /nfs/dbraw/zinc/08/38/38/905083838.db2.gz BVUMUJSQGKVHDX-MRXNPFEDSA-N 2 2 394.585 3.878 20 0 GHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001171965014 905172531 /nfs/dbraw/zinc/17/25/31/905172531.db2.gz IPRQQEXQWDKJCP-AWEZNQCLSA-N 2 2 390.409 3.928 20 0 GHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001171965014 905172546 /nfs/dbraw/zinc/17/25/46/905172546.db2.gz IPRQQEXQWDKJCP-AWEZNQCLSA-N 2 2 390.409 3.928 20 0 GHADLP COCC[N@H+](C)[C@@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC001172115744 905366942 /nfs/dbraw/zinc/36/69/42/905366942.db2.gz ZUYXDLQMLXUAAH-BURNTYAHSA-N 2 2 379.976 3.564 20 0 GHADLP COCC[N@@H+](C)[C@@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC001172115744 905366960 /nfs/dbraw/zinc/36/69/60/905366960.db2.gz ZUYXDLQMLXUAAH-BURNTYAHSA-N 2 2 379.976 3.564 20 0 GHADLP COCC[NH+](C)[C@@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC001172115744 905366977 /nfs/dbraw/zinc/36/69/77/905366977.db2.gz ZUYXDLQMLXUAAH-BURNTYAHSA-N 2 2 379.976 3.564 20 0 GHADLP COCC[NH+](C)[C@@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001172115744 905366992 /nfs/dbraw/zinc/36/69/92/905366992.db2.gz ZUYXDLQMLXUAAH-BURNTYAHSA-N 2 2 379.976 3.564 20 0 GHADLP COCCC[NH+]1CCC([N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)CC1 ZINC001172255169 905450919 /nfs/dbraw/zinc/45/09/19/905450919.db2.gz IVZYPPNBEINPSX-HJOGWXRNSA-N 3 2 385.596 3.598 20 0 GHADLP COCCC[NH+]1CCC([N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)CC1 ZINC001172255169 905450926 /nfs/dbraw/zinc/45/09/26/905450926.db2.gz IVZYPPNBEINPSX-HJOGWXRNSA-N 3 2 385.596 3.598 20 0 GHADLP COCCC[NH+]1CCC([NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)CC1 ZINC001172255169 905450934 /nfs/dbraw/zinc/45/09/34/905450934.db2.gz IVZYPPNBEINPSX-HJOGWXRNSA-N 3 2 385.596 3.598 20 0 GHADLP COCCC[NH+]1CCC([NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)CC1 ZINC001172255169 905450943 /nfs/dbraw/zinc/45/09/43/905450943.db2.gz IVZYPPNBEINPSX-HJOGWXRNSA-N 3 2 385.596 3.598 20 0 GHADLP Cc1[nH]c(CN(Cc2ccccc2Br)C2CC[NH+](C)CC2)[nH+]c1C ZINC000628285290 906041415 /nfs/dbraw/zinc/04/14/15/906041415.db2.gz OXMKMWVAWSGNQV-UHFFFAOYSA-N 2 2 391.357 3.885 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001173074622 906168987 /nfs/dbraw/zinc/16/89/87/906168987.db2.gz VUOAKQNEDWUSKU-RCCFBDPRSA-N 2 2 375.513 3.631 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001173074622 906169000 /nfs/dbraw/zinc/16/90/00/906169000.db2.gz VUOAKQNEDWUSKU-RCCFBDPRSA-N 2 2 375.513 3.631 20 0 GHADLP Cc1cc(N2CC[NH+]([C@@H](C)Cc3ccc(OC(F)(F)F)cc3)CC2)nc(C)[nH+]1 ZINC001173082881 906183288 /nfs/dbraw/zinc/18/32/88/906183288.db2.gz LBIVGJIHWQLXCM-HNNXBMFYSA-N 2 2 394.441 3.745 20 0 GHADLP CCc1ccc(C[C@H](C)N(c2cccc[nH+]2)[C@@H]2COC3(C2)CC[NH2+]CC3)cc1 ZINC001173243316 906330273 /nfs/dbraw/zinc/33/02/73/906330273.db2.gz AKTYGFARZTWMGV-UGKGYDQZSA-N 2 2 379.548 3.993 20 0 GHADLP CCc1ccc(C[C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001173236639 906347025 /nfs/dbraw/zinc/34/70/25/906347025.db2.gz BFEVBVGUHPYARH-FQEVSTJZSA-N 2 2 382.548 3.681 20 0 GHADLP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@@H+]1[C@H]1CCCC2(CCCCC2)C1 ZINC001173346553 906385153 /nfs/dbraw/zinc/38/51/53/906385153.db2.gz YYIQBAINNQQTIL-RTWAWAEBSA-N 2 2 399.627 3.900 20 0 GHADLP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@H+]1[C@H]1CCCC2(CCCCC2)C1 ZINC001173346553 906385161 /nfs/dbraw/zinc/38/51/61/906385161.db2.gz YYIQBAINNQQTIL-RTWAWAEBSA-N 2 2 399.627 3.900 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc(OCc2ccccc2)c1OC ZINC001206201591 906480687 /nfs/dbraw/zinc/48/06/87/906480687.db2.gz XXVSVRMCKIYOJV-OALUTQOASA-N 2 2 388.483 3.544 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc(OCc2ccccc2)c1OC ZINC001206201591 906480695 /nfs/dbraw/zinc/48/06/95/906480695.db2.gz XXVSVRMCKIYOJV-OALUTQOASA-N 2 2 388.483 3.544 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001173730395 906694947 /nfs/dbraw/zinc/69/49/47/906694947.db2.gz NQOWSCUEOZAGKS-LJQANCHMSA-N 2 2 392.543 3.927 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001173730395 906694965 /nfs/dbraw/zinc/69/49/65/906694965.db2.gz NQOWSCUEOZAGKS-LJQANCHMSA-N 2 2 392.543 3.927 20 0 GHADLP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000180717127 906828507 /nfs/dbraw/zinc/82/85/07/906828507.db2.gz UHDQMWGTLHPFMK-RUZDIDTESA-N 2 2 387.527 3.918 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000629531150 906856857 /nfs/dbraw/zinc/85/68/57/906856857.db2.gz BIXDBGOWNIXGLS-INWMFGNUSA-N 2 2 385.371 3.733 20 0 GHADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2OCc2cccnc2)CC[C@@H]1C(F)(F)F ZINC000629652909 906929013 /nfs/dbraw/zinc/92/90/13/906929013.db2.gz CJXTYKNJWFTRCA-MSOLQXFVSA-N 2 2 379.426 3.620 20 0 GHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2OCc2cccnc2)CC[C@@H]1C(F)(F)F ZINC000629652909 906929029 /nfs/dbraw/zinc/92/90/29/906929029.db2.gz CJXTYKNJWFTRCA-MSOLQXFVSA-N 2 2 379.426 3.620 20 0 GHADLP C[N@H+](Cc1ccccc1Nc1cnn(CC[NH+]2CCOCC2)c1)C1CCCCC1 ZINC001174494520 907051673 /nfs/dbraw/zinc/05/16/73/907051673.db2.gz XSPGWOZUKDBPQO-UHFFFAOYSA-N 2 2 397.567 3.723 20 0 GHADLP C[N@@H+](Cc1ccccc1Nc1cnn(CC[NH+]2CCOCC2)c1)C1CCCCC1 ZINC001174494520 907051690 /nfs/dbraw/zinc/05/16/90/907051690.db2.gz XSPGWOZUKDBPQO-UHFFFAOYSA-N 2 2 397.567 3.723 20 0 GHADLP Cc1[nH+]cc(CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)n1-c1ccccc1 ZINC000183778507 907456858 /nfs/dbraw/zinc/45/68/58/907456858.db2.gz KEUJQHNBZZGBHP-UHFFFAOYSA-N 2 2 391.519 3.991 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(-c3cnn(C)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000185020172 907697887 /nfs/dbraw/zinc/69/78/87/907697887.db2.gz NGXIMHKWINMJKM-YLJYHZDGSA-N 2 2 379.508 3.560 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(-c3cnn(C)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC000185020172 907697893 /nfs/dbraw/zinc/69/78/93/907697893.db2.gz NGXIMHKWINMJKM-YLJYHZDGSA-N 2 2 379.508 3.560 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(-c3cnn(C)c3)no2)CC[NH+]1Cc1ccccc1 ZINC000185020172 907697899 /nfs/dbraw/zinc/69/78/99/907697899.db2.gz NGXIMHKWINMJKM-YLJYHZDGSA-N 2 2 379.508 3.560 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(-c3cnn(C)c3)no2)CC[NH+]1Cc1ccccc1 ZINC000185020172 907697909 /nfs/dbraw/zinc/69/79/09/907697909.db2.gz NGXIMHKWINMJKM-YLJYHZDGSA-N 2 2 379.508 3.560 20 0 GHADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3nc(-c4ccco4)cs3)CC2)[nH+]c1C ZINC001176203153 907980748 /nfs/dbraw/zinc/98/07/48/907980748.db2.gz YDJOOUNHFZUONM-UHFFFAOYSA-N 2 2 385.493 3.561 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000366220083 921387448 /nfs/dbraw/zinc/38/74/48/921387448.db2.gz COEGUVYXEQCOPF-NMVJMZGASA-N 3 2 392.591 3.794 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000366220083 921387459 /nfs/dbraw/zinc/38/74/59/921387459.db2.gz COEGUVYXEQCOPF-NMVJMZGASA-N 3 2 392.591 3.794 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000366220083 921387470 /nfs/dbraw/zinc/38/74/70/921387470.db2.gz COEGUVYXEQCOPF-NMVJMZGASA-N 3 2 392.591 3.794 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366220083 921387480 /nfs/dbraw/zinc/38/74/80/921387480.db2.gz COEGUVYXEQCOPF-NMVJMZGASA-N 3 2 392.591 3.794 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(Nc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC001176656575 908223940 /nfs/dbraw/zinc/22/39/40/908223940.db2.gz WRHWQTVWJIQJJQ-UHFFFAOYSA-N 2 2 390.535 3.945 20 0 GHADLP Cn1c[nH+]cc1C1CC[NH+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001176976672 908344546 /nfs/dbraw/zinc/34/45/46/908344546.db2.gz DTDRDDMJOKYDLK-KRWDZBQOSA-N 2 2 376.545 3.637 20 0 GHADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC001177045978 908381075 /nfs/dbraw/zinc/38/10/75/908381075.db2.gz NGNWEKLWQZKMMF-QFIPXVFZSA-N 2 2 387.543 3.686 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001177046425 908381189 /nfs/dbraw/zinc/38/11/89/908381189.db2.gz RKBDUXCFDAUVHT-RTWAWAEBSA-N 2 2 375.532 3.541 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001177046425 908381200 /nfs/dbraw/zinc/38/12/00/908381200.db2.gz RKBDUXCFDAUVHT-RTWAWAEBSA-N 2 2 375.532 3.541 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cnn(C(C)C)c3C)cc2)CC1 ZINC000191181821 908590809 /nfs/dbraw/zinc/59/08/09/908590809.db2.gz XHXINOGMDOZXTR-LJQANCHMSA-N 2 2 383.584 3.761 20 0 GHADLP CC(C)[C@@H](C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccccc1 ZINC001177506432 908607098 /nfs/dbraw/zinc/60/70/98/908607098.db2.gz NKCCVDOEAILYOA-XMMPIXPASA-N 2 2 382.548 3.927 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000191499630 908632724 /nfs/dbraw/zinc/63/27/24/908632724.db2.gz PDSVHUAKYICNAZ-UHFFFAOYSA-N 2 2 397.548 3.580 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000191499630 908632730 /nfs/dbraw/zinc/63/27/30/908632730.db2.gz PDSVHUAKYICNAZ-UHFFFAOYSA-N 2 2 397.548 3.580 20 0 GHADLP C[C@H](C(=O)N(Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001177922256 908808916 /nfs/dbraw/zinc/80/89/16/908808916.db2.gz QPJMUFRUPGNUFY-OFNKIYASSA-N 2 2 388.515 3.747 20 0 GHADLP C[C@H](C(=O)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001177922256 908808926 /nfs/dbraw/zinc/80/89/26/908808926.db2.gz QPJMUFRUPGNUFY-OFNKIYASSA-N 2 2 388.515 3.747 20 0 GHADLP O=C(Nc1cccc2[nH+]ccn21)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001178588773 909109562 /nfs/dbraw/zinc/10/95/62/909109562.db2.gz RNIOCRCSOLPHEI-UHFFFAOYSA-N 2 2 382.467 3.994 20 0 GHADLP C[NH+]1CCC(Nc2ccccc2NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635487628 909268734 /nfs/dbraw/zinc/26/87/34/909268734.db2.gz UREFYYBRGGPUAT-QGZVFWFLSA-N 2 2 395.429 3.521 20 0 GHADLP C[NH+](CCCCC[N@@H+](C)Cc1nccn1C(F)F)Cc1nccn1C(F)F ZINC000266757651 909290826 /nfs/dbraw/zinc/29/08/26/909290826.db2.gz RWZUVYGCSJDYCA-UHFFFAOYSA-N 2 2 390.429 3.604 20 0 GHADLP C[NH+](CCCCC[N@H+](C)Cc1nccn1C(F)F)Cc1nccn1C(F)F ZINC000266757651 909290847 /nfs/dbraw/zinc/29/08/47/909290847.db2.gz RWZUVYGCSJDYCA-UHFFFAOYSA-N 2 2 390.429 3.604 20 0 GHADLP C[NH+](C)CCn1ccc2ccc(NC(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)cc21 ZINC000635590614 909298635 /nfs/dbraw/zinc/29/86/35/909298635.db2.gz OLJSXVXFJIODBL-KRWDZBQOSA-N 2 2 393.413 3.532 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccccc2CC(F)(F)F)CC1 ZINC001179989096 909855440 /nfs/dbraw/zinc/85/54/40/909855440.db2.gz LFIZPOLWQKZARN-HDICACEKSA-N 2 2 383.502 3.782 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccccc2CC(F)(F)F)CC1 ZINC001179989096 909855454 /nfs/dbraw/zinc/85/54/54/909855454.db2.gz LFIZPOLWQKZARN-HDICACEKSA-N 2 2 383.502 3.782 20 0 GHADLP Clc1ccc(CN2CCC([NH2+]CC3([NH+]4CCCC4)CCOCC3)CC2)cc1 ZINC000268864684 910048994 /nfs/dbraw/zinc/04/89/94/910048994.db2.gz IPKWFYQUGWNZEY-UHFFFAOYSA-N 2 2 391.987 3.539 20 0 GHADLP Fc1ccc2ccc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)nc2c1F ZINC000638304059 910109717 /nfs/dbraw/zinc/10/97/17/910109717.db2.gz BHQBCSLARLVWLI-UHFFFAOYSA-N 2 2 383.442 3.635 20 0 GHADLP FC(F)(F)c1nc2n(c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)CCCC2 ZINC000638343695 910125632 /nfs/dbraw/zinc/12/56/32/910125632.db2.gz RKLBFIMOODMBLN-UHFFFAOYSA-N 2 2 389.425 3.773 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3c(Cl)nc4ccccn43)[nH+]c2)CC1 ZINC000269142789 910159577 /nfs/dbraw/zinc/15/95/77/910159577.db2.gz NCWXWOJUPIDHRM-UHFFFAOYSA-N 2 2 384.915 3.525 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000246520085 910350374 /nfs/dbraw/zinc/35/03/74/910350374.db2.gz UPXPMYOXGAFELL-UIAACRFSSA-N 2 2 393.453 3.634 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000246520085 910350395 /nfs/dbraw/zinc/35/03/95/910350395.db2.gz UPXPMYOXGAFELL-UIAACRFSSA-N 2 2 393.453 3.634 20 0 GHADLP FC(F)(F)c1ncc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000639304984 910381442 /nfs/dbraw/zinc/38/14/42/910381442.db2.gz HANPSUPCMXBIQZ-WMZOPIPTSA-N 2 2 376.426 3.953 20 0 GHADLP FC(F)(F)c1ncc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000639304984 910381453 /nfs/dbraw/zinc/38/14/53/910381453.db2.gz HANPSUPCMXBIQZ-WMZOPIPTSA-N 2 2 376.426 3.953 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1COc2ccccc2C1 ZINC001180886339 910390838 /nfs/dbraw/zinc/39/08/38/910390838.db2.gz YWQYQNSWVLSBKJ-WWPVKYPJSA-N 2 2 380.532 3.507 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1COc2ccccc2C1 ZINC001180886339 910390848 /nfs/dbraw/zinc/39/08/48/910390848.db2.gz YWQYQNSWVLSBKJ-WWPVKYPJSA-N 2 2 380.532 3.507 20 0 GHADLP CCC[N@H+](Cc1nc(C2CCC2)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000639531181 910490461 /nfs/dbraw/zinc/49/04/61/910490461.db2.gz WLSAIHIXMWLGTC-UHFFFAOYSA-N 2 2 384.528 3.625 20 0 GHADLP CCC[N@@H+](Cc1nc(C2CCC2)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000639531181 910490471 /nfs/dbraw/zinc/49/04/71/910490471.db2.gz WLSAIHIXMWLGTC-UHFFFAOYSA-N 2 2 384.528 3.625 20 0 GHADLP Cn1c(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)nc2ccc(Cl)cc21 ZINC000270607183 910624679 /nfs/dbraw/zinc/62/46/79/910624679.db2.gz HBTIBSBEIXFNMG-UHFFFAOYSA-N 2 2 398.942 3.764 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(=O)N1c2ccccc2C[C@H]1C ZINC001181818750 911020363 /nfs/dbraw/zinc/02/03/63/911020363.db2.gz PJZUJEMZNMGDKG-LMVRJCEZSA-N 2 2 383.580 3.985 20 0 GHADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3c3ccsc3)CC2)c1 ZINC000642529442 912137205 /nfs/dbraw/zinc/13/72/05/912137205.db2.gz OSLHMRJZZGCRGA-OAQYLSRUSA-N 2 2 383.561 3.538 20 0 GHADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@@H]3c3ccsc3)CC2)c1 ZINC000642529442 912137212 /nfs/dbraw/zinc/13/72/12/912137212.db2.gz OSLHMRJZZGCRGA-OAQYLSRUSA-N 2 2 383.561 3.538 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cc2n(n1)CCCC2 ZINC000647281802 915133474 /nfs/dbraw/zinc/13/34/74/915133474.db2.gz IMELUUICWAKPQO-GUDVDZBRSA-N 2 2 382.552 3.679 20 0 GHADLP C[NH+](C)C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000802042592 921779210 /nfs/dbraw/zinc/77/92/10/921779210.db2.gz SYNVHMQEPZLXFY-FQEVSTJZSA-N 2 2 397.910 3.628 20 0 GHADLP Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000292355962 915632844 /nfs/dbraw/zinc/63/28/44/915632844.db2.gz YLCVNDCSFKDECN-XUZZJYLKSA-N 2 2 398.522 3.915 20 0 GHADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000648404434 915684345 /nfs/dbraw/zinc/68/43/45/915684345.db2.gz SUNZZYAYPBFNSK-IRXDYDNUSA-N 2 2 383.517 3.730 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(S(C)(=O)=O)c2)CC1 ZINC000648735831 915847358 /nfs/dbraw/zinc/84/73/58/915847358.db2.gz SWJBNIHXRLXXGO-UHFFFAOYSA-N 2 2 380.598 3.859 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000648791073 915881635 /nfs/dbraw/zinc/88/16/35/915881635.db2.gz OYYUCXQTUMYZBC-KZNAEPCWSA-N 2 2 384.524 3.645 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000648837150 915901241 /nfs/dbraw/zinc/90/12/41/915901241.db2.gz DEWAGFAHHGMJDC-UYAOXDASSA-N 2 2 379.508 3.768 20 0 GHADLP Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc(N2CCCC2)n1 ZINC000293877071 916441858 /nfs/dbraw/zinc/44/18/58/916441858.db2.gz YLVKAWSTYLFYMT-MUSUJDOFSA-N 2 2 391.563 3.670 20 0 GHADLP Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc(N2CCCC2)n1 ZINC000293877071 916441867 /nfs/dbraw/zinc/44/18/67/916441867.db2.gz YLVKAWSTYLFYMT-MUSUJDOFSA-N 2 2 391.563 3.670 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)c(C)c1 ZINC000775312678 916918167 /nfs/dbraw/zinc/91/81/67/916918167.db2.gz CZSACYOOVLXYPE-QFIPXVFZSA-N 2 2 388.515 3.940 20 0 GHADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC001275771781 917105533 /nfs/dbraw/zinc/10/55/33/917105533.db2.gz XPIYWGNLQJCDFS-HDICACEKSA-N 2 2 396.362 3.510 20 0 GHADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC001275771781 917105552 /nfs/dbraw/zinc/10/55/52/917105552.db2.gz XPIYWGNLQJCDFS-HDICACEKSA-N 2 2 396.362 3.510 20 0 GHADLP COCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccc(C)cc1C ZINC001190589341 917433608 /nfs/dbraw/zinc/43/36/08/917433608.db2.gz NFRPUJLBEWHJGZ-UHFFFAOYSA-N 2 2 382.548 3.784 20 0 GHADLP COCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccc(C)cc1C ZINC001190589341 917433621 /nfs/dbraw/zinc/43/36/21/917433621.db2.gz NFRPUJLBEWHJGZ-UHFFFAOYSA-N 2 2 382.548 3.784 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651118596 917445621 /nfs/dbraw/zinc/44/56/21/917445621.db2.gz YITKANPJGNROLP-RTBURBONSA-N 2 2 394.563 3.556 20 0 GHADLP Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cs2)cc1 ZINC000652354813 917879663 /nfs/dbraw/zinc/87/96/63/917879663.db2.gz JBOOHGXATKNNCV-QFBILLFUSA-N 2 2 386.565 3.582 20 0 GHADLP Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cs2)cc1 ZINC000652354813 917879677 /nfs/dbraw/zinc/87/96/77/917879677.db2.gz JBOOHGXATKNNCV-QFBILLFUSA-N 2 2 386.565 3.582 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000296275236 918079255 /nfs/dbraw/zinc/07/92/55/918079255.db2.gz CAOXJSNMLQSVLD-IMRHEYAYSA-N 2 2 381.520 3.902 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CCCCC2)[C@@H](C)C1 ZINC001191601408 918092106 /nfs/dbraw/zinc/09/21/06/918092106.db2.gz NPNYHKWANCSOOD-RBBKRZOGSA-N 2 2 385.596 3.667 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CCCCC2)[C@@H](C)C1 ZINC001191601408 918092117 /nfs/dbraw/zinc/09/21/17/918092117.db2.gz NPNYHKWANCSOOD-RBBKRZOGSA-N 2 2 385.596 3.667 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCC2(c3ccccc3)CCCCC2)[C@@H](C)C1 ZINC001191601408 918092129 /nfs/dbraw/zinc/09/21/29/918092129.db2.gz NPNYHKWANCSOOD-RBBKRZOGSA-N 2 2 385.596 3.667 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCC2(c3ccccc3)CCCCC2)[C@@H](C)C1 ZINC001191601408 918092143 /nfs/dbraw/zinc/09/21/43/918092143.db2.gz NPNYHKWANCSOOD-RBBKRZOGSA-N 2 2 385.596 3.667 20 0 GHADLP C[C@@H](c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1)C(F)(F)F ZINC000653354670 918228001 /nfs/dbraw/zinc/22/80/01/918228001.db2.gz OOAMIKNHGFOGNH-HNAYVOBHSA-N 2 2 397.485 3.593 20 0 GHADLP C[C@@H](c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1)C(F)(F)F ZINC000653354670 918228017 /nfs/dbraw/zinc/22/80/17/918228017.db2.gz OOAMIKNHGFOGNH-HNAYVOBHSA-N 2 2 397.485 3.593 20 0 GHADLP CCC[NH+]1CCC(N(C)C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000297808157 919804069 /nfs/dbraw/zinc/80/40/69/919804069.db2.gz YOHZIWWQVACESO-UHFFFAOYSA-N 2 2 389.931 3.542 20 0 GHADLP Cc1cc(Cl)nc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000800285532 919840969 /nfs/dbraw/zinc/84/09/69/919840969.db2.gz LOOFVDXOMHPRIF-UHFFFAOYSA-N 2 2 379.335 3.738 20 0 GHADLP O=C(NCCCCC[NH+]1CCCC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000297867288 919898029 /nfs/dbraw/zinc/89/80/29/919898029.db2.gz USOZFGVPRQGUJK-UHFFFAOYSA-N 2 2 393.535 3.989 20 0 GHADLP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000365591805 920983986 /nfs/dbraw/zinc/98/39/86/920983986.db2.gz ZOPWEQMCIZEYJJ-JOCHJYFZSA-N 2 2 388.515 3.573 20 0 GHADLP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000365591805 920984017 /nfs/dbraw/zinc/98/40/17/920984017.db2.gz ZOPWEQMCIZEYJJ-JOCHJYFZSA-N 2 2 388.515 3.573 20 0 GHADLP COc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1OCCO ZINC000902762312 922478674 /nfs/dbraw/zinc/47/86/74/922478674.db2.gz LAQOSHRQJFXBRX-DLBZAZTESA-N 2 2 381.476 3.664 20 0 GHADLP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1Cl ZINC000369470866 923358737 /nfs/dbraw/zinc/35/87/37/923358737.db2.gz XHUZDTKPJKVGGR-KGLIPLIRSA-N 2 2 399.366 3.522 20 0 GHADLP C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1Cl ZINC000369470866 923358752 /nfs/dbraw/zinc/35/87/52/923358752.db2.gz XHUZDTKPJKVGGR-KGLIPLIRSA-N 2 2 399.366 3.522 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(SC(F)F)cc2)CC1 ZINC000748989428 923961776 /nfs/dbraw/zinc/96/17/76/923961776.db2.gz KUOWZLMMTQVSPC-CALCHBBNSA-N 2 2 383.552 3.992 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(SC(F)F)cc2)CC1 ZINC000748989428 923961791 /nfs/dbraw/zinc/96/17/91/923961791.db2.gz KUOWZLMMTQVSPC-CALCHBBNSA-N 2 2 383.552 3.992 20 0 GHADLP CC(C)Cc1ccc(CCCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677145773 924258749 /nfs/dbraw/zinc/25/87/49/924258749.db2.gz RSGAYVUCSITSNX-DEOSSOPVSA-N 2 2 399.623 3.835 20 0 GHADLP CC(C)Cc1ccc(CCCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677145773 924258759 /nfs/dbraw/zinc/25/87/59/924258759.db2.gz RSGAYVUCSITSNX-DEOSSOPVSA-N 2 2 399.623 3.835 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1c[nH+]c3ccc(C)cn13)CC2 ZINC001137306015 924430083 /nfs/dbraw/zinc/43/00/83/924430083.db2.gz FBURGTMVICJEHO-UHFFFAOYSA-N 2 2 393.535 3.878 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1c[nH+]c3ccc(C)cn13)CC2 ZINC001137306015 924430086 /nfs/dbraw/zinc/43/00/86/924430086.db2.gz FBURGTMVICJEHO-UHFFFAOYSA-N 2 2 393.535 3.878 20 0 GHADLP O=c1[nH]c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc2ccccc21 ZINC000677819772 924509274 /nfs/dbraw/zinc/50/92/74/924509274.db2.gz QLBSFNPSYDNGCE-UHFFFAOYSA-N 2 2 388.515 3.824 20 0 GHADLP O=c1[nH]c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc2ccccc21 ZINC000677819772 924509283 /nfs/dbraw/zinc/50/92/83/924509283.db2.gz QLBSFNPSYDNGCE-UHFFFAOYSA-N 2 2 388.515 3.824 20 0 GHADLP CS[C@@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)C[C@@H]1[NH+](C)C ZINC000409726875 924922270 /nfs/dbraw/zinc/92/22/70/924922270.db2.gz JGENNRMAHXPIEG-UONOGXRCSA-N 2 2 384.318 3.618 20 0 GHADLP c1ccc(COc2ccccc2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000678930762 924976876 /nfs/dbraw/zinc/97/68/76/924976876.db2.gz VPBNKTWNOVKDPG-HSZRJFAPSA-N 2 2 380.532 3.999 20 0 GHADLP C[C@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC12CCCCC2 ZINC000372079486 925129762 /nfs/dbraw/zinc/12/97/62/925129762.db2.gz ZQMKUSZEBJYZRQ-IBGZPJMESA-N 2 2 390.616 3.547 20 0 GHADLP CC(C)C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372171592 925214318 /nfs/dbraw/zinc/21/43/18/925214318.db2.gz CCSOZAHUNUNCMT-YADHBBJMSA-N 2 2 386.584 3.584 20 0 GHADLP CC(C)C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372171592 925214326 /nfs/dbraw/zinc/21/43/26/925214326.db2.gz CCSOZAHUNUNCMT-YADHBBJMSA-N 2 2 386.584 3.584 20 0 GHADLP CC[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000372485103 925471142 /nfs/dbraw/zinc/47/11/42/925471142.db2.gz ASQGKVCXNYLCDF-VQTJNVASSA-N 2 2 392.975 3.601 20 0 GHADLP CC[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000372485103 925471143 /nfs/dbraw/zinc/47/11/43/925471143.db2.gz ASQGKVCXNYLCDF-VQTJNVASSA-N 2 2 392.975 3.601 20 0 GHADLP FC(F)C1CC([NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000681089297 925719249 /nfs/dbraw/zinc/71/92/49/925719249.db2.gz NGUPYGCCGFLVSJ-UHFFFAOYSA-N 2 2 391.428 3.851 20 0 GHADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c2ccccc2C1 ZINC000373463769 926158498 /nfs/dbraw/zinc/15/84/98/926158498.db2.gz ALQQFQKWXNNGBR-JWQCQUIFSA-N 2 2 391.559 3.980 20 0 GHADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c2ccccc2C1 ZINC000373463769 926158513 /nfs/dbraw/zinc/15/85/13/926158513.db2.gz ALQQFQKWXNNGBR-JWQCQUIFSA-N 2 2 391.559 3.980 20 0 GHADLP COCCOc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000373486060 926183227 /nfs/dbraw/zinc/18/32/27/926183227.db2.gz QHEDBVIYISASLG-UHFFFAOYSA-N 2 2 386.458 3.607 20 0 GHADLP CC[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1(C(=O)OC)CCC1 ZINC000373517584 926213156 /nfs/dbraw/zinc/21/31/56/926213156.db2.gz DIUQDHFQRFSMOC-GPANFISMSA-N 2 2 376.463 3.503 20 0 GHADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccccc1OCC(=O)NC ZINC000683020270 926328222 /nfs/dbraw/zinc/32/82/22/926328222.db2.gz BCVXDVCEHRPCIC-OAQYLSRUSA-N 2 2 392.503 3.546 20 0 GHADLP C[N@H+](CCC(=O)Nc1ccccc1Cl)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000411585230 926534997 /nfs/dbraw/zinc/53/49/97/926534997.db2.gz SBILUDVKOQUHBW-UWJYYQICSA-N 2 2 386.927 3.688 20 0 GHADLP C[N@@H+](CCC(=O)Nc1ccccc1Cl)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000411585230 926535006 /nfs/dbraw/zinc/53/50/06/926535006.db2.gz SBILUDVKOQUHBW-UWJYYQICSA-N 2 2 386.927 3.688 20 0 GHADLP C[NH+](CCC(=O)Nc1ccccc1Cl)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000411585230 926535012 /nfs/dbraw/zinc/53/50/12/926535012.db2.gz SBILUDVKOQUHBW-UWJYYQICSA-N 2 2 386.927 3.688 20 0 GHADLP C[NH+](CCC(=O)Nc1ccccc1Cl)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000411585230 926535015 /nfs/dbraw/zinc/53/50/15/926535015.db2.gz SBILUDVKOQUHBW-UWJYYQICSA-N 2 2 386.927 3.688 20 0 GHADLP CC1(C)CC[C@@H](C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)O1 ZINC000411726367 926689792 /nfs/dbraw/zinc/68/97/92/926689792.db2.gz XVYFQOCUQVZLOE-HNNXBMFYSA-N 2 2 382.302 3.698 20 0 GHADLP CC1(C)CC[C@@H](C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)O1 ZINC000411726367 926689800 /nfs/dbraw/zinc/68/98/00/926689800.db2.gz XVYFQOCUQVZLOE-HNNXBMFYSA-N 2 2 382.302 3.698 20 0 GHADLP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374308082 927004861 /nfs/dbraw/zinc/00/48/61/927004861.db2.gz VHELQNDFGKPXBR-OALUTQOASA-N 2 2 384.568 3.580 20 0 GHADLP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374308082 927004875 /nfs/dbraw/zinc/00/48/75/927004875.db2.gz VHELQNDFGKPXBR-OALUTQOASA-N 2 2 384.568 3.580 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412199079 927201150 /nfs/dbraw/zinc/20/11/50/927201150.db2.gz VNURTVMUXPRVBV-HXUWFJFHSA-N 2 2 380.536 3.501 20 0 GHADLP CC(C)Cc1c[nH]c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000412207019 927208995 /nfs/dbraw/zinc/20/89/95/927208995.db2.gz BBLYCEROYZXNJJ-FCHUYYIVSA-N 2 2 388.600 3.622 20 0 GHADLP CC(C)Cc1c[nH]c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000412207019 927208999 /nfs/dbraw/zinc/20/89/99/927208999.db2.gz BBLYCEROYZXNJJ-FCHUYYIVSA-N 2 2 388.600 3.622 20 0 GHADLP CC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757103755 929641308 /nfs/dbraw/zinc/64/13/08/929641308.db2.gz DKMDAZHTIOIAKU-UYAOXDASSA-N 2 2 384.524 3.998 20 0 GHADLP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757103755 929641311 /nfs/dbraw/zinc/64/13/11/929641311.db2.gz DKMDAZHTIOIAKU-UYAOXDASSA-N 2 2 384.524 3.998 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CCCc2ccc(Cl)cc2Cl)CC1 ZINC000545916990 929674727 /nfs/dbraw/zinc/67/47/27/929674727.db2.gz YHWNGSQTOZLYEE-UHFFFAOYSA-N 2 2 387.351 3.933 20 0 GHADLP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000469483790 929930182 /nfs/dbraw/zinc/93/01/82/929930182.db2.gz KVLKPMIIMNSDSR-UHFFFAOYSA-N 2 2 393.329 3.859 20 0 GHADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000546307796 930042877 /nfs/dbraw/zinc/04/28/77/930042877.db2.gz JEBUTURLDBBUAA-QHCPKHFHSA-N 2 2 386.503 3.753 20 0 GHADLP CC(C)c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000557217773 931278084 /nfs/dbraw/zinc/27/80/84/931278084.db2.gz URVVFRUMUVHXAT-GOSISDBHSA-N 2 2 383.467 3.664 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cn2c(n1)CCCC2 ZINC000924611633 931444938 /nfs/dbraw/zinc/44/49/38/931444938.db2.gz ZFBUMRCAVZHXHE-QRVBRYPASA-N 2 2 382.552 3.679 20 0 GHADLP CON1CCC([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000924942448 931591353 /nfs/dbraw/zinc/59/13/53/931591353.db2.gz WDHWHIKVJCEVKK-UHFFFAOYSA-N 2 2 376.504 3.714 20 0 GHADLP CCC[C@H](Cc1ccccc1)[N@H+](CCC)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783979183 931739305 /nfs/dbraw/zinc/73/93/05/931739305.db2.gz PRAAORAPRAIECC-LEWJYISDSA-N 2 2 382.552 3.817 20 0 GHADLP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783979183 931739310 /nfs/dbraw/zinc/73/93/10/931739310.db2.gz PRAAORAPRAIECC-LEWJYISDSA-N 2 2 382.552 3.817 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796695878 932032763 /nfs/dbraw/zinc/03/27/63/932032763.db2.gz PZXWPQRMUVIBIH-KSZLIROESA-N 2 2 390.572 3.869 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796695878 932032773 /nfs/dbraw/zinc/03/27/73/932032773.db2.gz PZXWPQRMUVIBIH-KSZLIROESA-N 2 2 390.572 3.869 20 0 GHADLP COc1c(C)cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000796779639 932065496 /nfs/dbraw/zinc/06/54/96/932065496.db2.gz QBTOEDUUNJELLS-VGSWGCGISA-N 2 2 388.939 3.945 20 0 GHADLP COc1c(C)cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000796779639 932065504 /nfs/dbraw/zinc/06/55/04/932065504.db2.gz QBTOEDUUNJELLS-VGSWGCGISA-N 2 2 388.939 3.945 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3cccc4c3OCO4)CC2)cc1 ZINC000926526904 932216822 /nfs/dbraw/zinc/21/68/22/932216822.db2.gz GKMNDKNMJHHDPM-MRXNPFEDSA-N 2 2 395.503 3.689 20 0 GHADLP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2COCc3cccc(Cl)c32)CC1 ZINC000798181885 932554325 /nfs/dbraw/zinc/55/43/25/932554325.db2.gz BJZHGZZISLTBEY-OAQYLSRUSA-N 2 2 386.923 3.658 20 0 GHADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1=O ZINC000559323777 932600849 /nfs/dbraw/zinc/60/08/49/932600849.db2.gz OHXOJSKLHFCMCR-QRWLVFNGSA-N 2 2 398.507 3.915 20 0 GHADLP Cc1cc2cc[nH]c2cc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000559852978 932911173 /nfs/dbraw/zinc/91/11/73/932911173.db2.gz UQMQRCCJTPZHFV-UHFFFAOYSA-N 2 2 383.540 3.548 20 0 GHADLP CC(C)(COCc1ccccc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000560195019 933122427 /nfs/dbraw/zinc/12/24/27/933122427.db2.gz OMAVYCZQAPPXGO-HSZRJFAPSA-N 2 2 382.548 3.863 20 0 GHADLP CC(C)(COCc1ccccc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000560195019 933122431 /nfs/dbraw/zinc/12/24/31/933122431.db2.gz OMAVYCZQAPPXGO-HSZRJFAPSA-N 2 2 382.548 3.863 20 0 GHADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H](c1sccc1Br)C1CCCCC1 ZINC000560244260 933152402 /nfs/dbraw/zinc/15/24/02/933152402.db2.gz BNJAAMSNCGTRRS-ZFWWWQNUSA-N 2 2 375.376 3.644 20 0 GHADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000560314965 933200083 /nfs/dbraw/zinc/20/00/83/933200083.db2.gz MXXZWEKOLXHGQG-UHFFFAOYSA-N 2 2 376.932 3.501 20 0 GHADLP CC(C)(C)[NH2+]CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001115984263 933270043 /nfs/dbraw/zinc/27/00/43/933270043.db2.gz FUYHKZKMRNNLST-UHFFFAOYSA-N 2 2 376.504 3.603 20 0 GHADLP CC(C)[C@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[NH+]1CCCCC1 ZINC000560595946 933372248 /nfs/dbraw/zinc/37/22/48/933372248.db2.gz OJRVOCYQEKPVJK-SJLPKXTDSA-N 2 2 378.586 3.824 20 0 GHADLP CC(C)[C@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[NH+]1CCCCC1 ZINC000560595946 933372252 /nfs/dbraw/zinc/37/22/52/933372252.db2.gz OJRVOCYQEKPVJK-SJLPKXTDSA-N 2 2 378.586 3.824 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC001116402158 933537095 /nfs/dbraw/zinc/53/70/95/933537095.db2.gz YGQWQAQMOVYICO-OAHLLOKOSA-N 2 2 378.314 3.516 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCOc2ccc(Br)cc2)C1 ZINC001116402158 933537106 /nfs/dbraw/zinc/53/71/06/933537106.db2.gz YGQWQAQMOVYICO-OAHLLOKOSA-N 2 2 378.314 3.516 20 0 GHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@H]2CCC3(COC3)O2)CC1 ZINC000930072634 933813018 /nfs/dbraw/zinc/81/30/18/933813018.db2.gz TVBSDPFOLGQSEJ-LJQANCHMSA-N 2 2 398.469 3.550 20 0 GHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@H]2CCC3(COC3)O2)CC1 ZINC000930072634 933813025 /nfs/dbraw/zinc/81/30/25/933813025.db2.gz TVBSDPFOLGQSEJ-LJQANCHMSA-N 2 2 398.469 3.550 20 0 GHADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000561365147 934082728 /nfs/dbraw/zinc/08/27/28/934082728.db2.gz NBMQAMNYFJRLIW-SFHVURJKSA-N 2 2 378.944 3.708 20 0 GHADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000561365147 934082735 /nfs/dbraw/zinc/08/27/35/934082735.db2.gz NBMQAMNYFJRLIW-SFHVURJKSA-N 2 2 378.944 3.708 20 0 GHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000561365147 934082745 /nfs/dbraw/zinc/08/27/45/934082745.db2.gz NBMQAMNYFJRLIW-SFHVURJKSA-N 2 2 378.944 3.708 20 0 GHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000561365147 934082757 /nfs/dbraw/zinc/08/27/57/934082757.db2.gz NBMQAMNYFJRLIW-SFHVURJKSA-N 2 2 378.944 3.708 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3coc(C(C)(C)C)n3)C2)ccn1 ZINC000931092522 934373468 /nfs/dbraw/zinc/37/34/68/934373468.db2.gz CKOXDJZZMHLIDT-FQEVSTJZSA-N 2 2 386.540 3.861 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3coc(C(C)(C)C)n3)C2)ccn1 ZINC000931092522 934373480 /nfs/dbraw/zinc/37/34/80/934373480.db2.gz CKOXDJZZMHLIDT-FQEVSTJZSA-N 2 2 386.540 3.861 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3coc(C(C)(C)C)n3)C2)ccn1 ZINC000931092522 934373500 /nfs/dbraw/zinc/37/35/00/934373500.db2.gz CKOXDJZZMHLIDT-FQEVSTJZSA-N 2 2 386.540 3.861 20 0 GHADLP Cc1ccc2c(ccc(C)c2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000931217296 934446588 /nfs/dbraw/zinc/44/65/88/934446588.db2.gz OYQGKBUYBOAIOJ-UHFFFAOYSA-N 2 2 379.548 3.745 20 0 GHADLP COc1cc(OC)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000562214620 934763398 /nfs/dbraw/zinc/76/33/98/934763398.db2.gz SLNDEYUODRKPQS-PMACEKPBSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000562214620 934763400 /nfs/dbraw/zinc/76/34/00/934763400.db2.gz SLNDEYUODRKPQS-PMACEKPBSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000562214620 934763402 /nfs/dbraw/zinc/76/34/02/934763402.db2.gz SLNDEYUODRKPQS-PMACEKPBSA-N 2 2 396.531 3.666 20 0 GHADLP COc1cc(OC)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000562214620 934763405 /nfs/dbraw/zinc/76/34/05/934763405.db2.gz SLNDEYUODRKPQS-PMACEKPBSA-N 2 2 396.531 3.666 20 0 GHADLP CC(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001122691243 934950434 /nfs/dbraw/zinc/95/04/34/934950434.db2.gz NDMAFFCSQXZGMD-IBGZPJMESA-N 2 2 388.604 3.546 20 0 GHADLP CC(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001122691243 934950437 /nfs/dbraw/zinc/95/04/37/934950437.db2.gz NDMAFFCSQXZGMD-IBGZPJMESA-N 2 2 388.604 3.546 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000829751806 935856478 /nfs/dbraw/zinc/85/64/78/935856478.db2.gz OTOURGKOSAMJLZ-KRWDZBQOSA-N 2 2 375.476 3.561 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c(F)ccc(F)c1F)CC2 ZINC001137928254 935874580 /nfs/dbraw/zinc/87/45/80/935874580.db2.gz KTEKDCCJLYUKFX-OAHLLOKOSA-N 2 2 394.437 3.952 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c(F)ccc(F)c1F)CC2 ZINC001137928254 935874583 /nfs/dbraw/zinc/87/45/83/935874583.db2.gz KTEKDCCJLYUKFX-OAHLLOKOSA-N 2 2 394.437 3.952 20 0 GHADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)ccc2Br)C1 ZINC001473994745 1074229109 /nfs/dbraw/zinc/22/91/09/1074229109.db2.gz CWMJXHCFQXHOQU-LLVKDONJSA-N 2 2 376.136 3.643 20 0 GHADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)ccc2Br)C1 ZINC001473994745 1074229113 /nfs/dbraw/zinc/22/91/13/1074229113.db2.gz CWMJXHCFQXHOQU-LLVKDONJSA-N 2 2 376.136 3.643 20 0 GHADLP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)c1 ZINC001625976324 1014607347 /nfs/dbraw/zinc/60/73/47/1014607347.db2.gz GWNBOYJTELEVOF-QFIPXVFZSA-N 2 2 399.510 3.759 20 0 GHADLP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)c1 ZINC001625976324 1014607358 /nfs/dbraw/zinc/60/73/58/1014607358.db2.gz GWNBOYJTELEVOF-QFIPXVFZSA-N 2 2 399.510 3.759 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC000468893272 1016176872 /nfs/dbraw/zinc/17/68/72/1016176872.db2.gz JRDGQSBVRDRATI-UHFFFAOYSA-N 2 2 398.378 3.509 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC000468893272 1016176878 /nfs/dbraw/zinc/17/68/78/1016176878.db2.gz JRDGQSBVRDRATI-UHFFFAOYSA-N 2 2 398.378 3.509 20 0 GHADLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2sc(Br)nc2Br)CC1 ZINC001206311266 1033789634 /nfs/dbraw/zinc/78/96/34/1033789634.db2.gz LNPZNUZOJNKQGO-GFCCVEGCSA-N 2 2 397.180 3.619 20 0 GHADLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2sc(Br)nc2Br)CC1 ZINC001206311266 1033789653 /nfs/dbraw/zinc/78/96/53/1033789653.db2.gz LNPZNUZOJNKQGO-GFCCVEGCSA-N 2 2 397.180 3.619 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001221293281 1032364302 /nfs/dbraw/zinc/36/43/02/1032364302.db2.gz CVNCVLMJMZJYNT-LQWHRVPQSA-N 2 2 392.613 3.647 20 0 GHADLP COc1ccc(Oc2nc(Cl)ncc2-n2c[nH+]cc2C2CC[NH2+]CC2)cc1 ZINC001155063621 1032399429 /nfs/dbraw/zinc/39/94/29/1032399429.db2.gz UIUBUJJANLFXCV-UHFFFAOYSA-N 2 2 385.855 3.584 20 0 GHADLP COc1cc2cc[nH+]c(N3CC[N@@H+]4CCc5ccccc5[C@@H]4C3)c2cc1OC ZINC001155094457 1032411186 /nfs/dbraw/zinc/41/11/86/1032411186.db2.gz CAKRJRLAQNCUNU-FQEVSTJZSA-N 2 2 375.472 3.671 20 0 GHADLP COc1cc2cc[nH+]c(N3CC[N@H+]4CCc5ccccc5[C@@H]4C3)c2cc1OC ZINC001155094457 1032411189 /nfs/dbraw/zinc/41/11/89/1032411189.db2.gz CAKRJRLAQNCUNU-FQEVSTJZSA-N 2 2 375.472 3.671 20 0 GHADLP Cc1nc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc(C(C)C)[nH+]1 ZINC001155359186 1032518127 /nfs/dbraw/zinc/51/81/27/1032518127.db2.gz XZODBIJNGQZNQP-OAQYLSRUSA-N 3 2 393.579 3.822 20 0 GHADLP Cc1nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc(C(C)C)[nH+]1 ZINC001155359186 1032518132 /nfs/dbraw/zinc/51/81/32/1032518132.db2.gz XZODBIJNGQZNQP-OAQYLSRUSA-N 3 2 393.579 3.822 20 0 GHADLP CCOc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)ccc1OC ZINC001204185660 1032639380 /nfs/dbraw/zinc/63/93/80/1032639380.db2.gz NQEINRBPLHUKFR-VXKWHMMOSA-N 2 2 380.532 3.966 20 0 GHADLP COc1cccc(C[C@@H](c2ccccc2)[N@@H+]2CCc3sc(C[NH3+])nc3C2)c1 ZINC000925747158 1017144998 /nfs/dbraw/zinc/14/49/98/1017144998.db2.gz FRTXXIIXCXOBKY-FQEVSTJZSA-N 2 2 379.529 3.953 20 0 GHADLP COc1cccc(C[C@@H](c2ccccc2)[N@H+]2CCc3sc(C[NH3+])nc3C2)c1 ZINC000925747158 1017145005 /nfs/dbraw/zinc/14/50/05/1017145005.db2.gz FRTXXIIXCXOBKY-FQEVSTJZSA-N 2 2 379.529 3.953 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)cs2)cc1OC ZINC000559542472 1017466183 /nfs/dbraw/zinc/46/61/83/1017466183.db2.gz VKLRMARGDKNQBN-MRXNPFEDSA-N 2 2 398.532 3.940 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)cs2)cc1OC ZINC000559542472 1017466229 /nfs/dbraw/zinc/46/62/29/1017466229.db2.gz VKLRMARGDKNQBN-MRXNPFEDSA-N 2 2 398.532 3.940 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[NH+]2CCN(C3(c4ccccc4)CC3)CC2)cc1 ZINC001204270840 1032712818 /nfs/dbraw/zinc/71/28/18/1032712818.db2.gz COMFDVZFHOMBJQ-UHFFFAOYSA-N 2 2 393.575 3.824 20 0 GHADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000560447521 1017630187 /nfs/dbraw/zinc/63/01/87/1017630187.db2.gz WNNQQEXGTBGKNO-VGSWGCGISA-N 2 2 393.535 3.541 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)[C@@H](C)C1 ZINC000560572945 1017662761 /nfs/dbraw/zinc/66/27/61/1017662761.db2.gz VLDINAIPCIKANX-GHTZIAJQSA-N 2 2 377.548 3.653 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)[C@@H](C)C1 ZINC000560572945 1017662770 /nfs/dbraw/zinc/66/27/70/1017662770.db2.gz VLDINAIPCIKANX-GHTZIAJQSA-N 2 2 377.548 3.653 20 0 GHADLP CCCOc1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)cc1 ZINC001204305525 1032747029 /nfs/dbraw/zinc/74/70/29/1032747029.db2.gz MBYHDEBFCQJMPH-UHFFFAOYSA-N 2 2 382.552 3.840 20 0 GHADLP CCCOc1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)cc1 ZINC001204305525 1032747042 /nfs/dbraw/zinc/74/70/42/1032747042.db2.gz MBYHDEBFCQJMPH-UHFFFAOYSA-N 2 2 382.552 3.840 20 0 GHADLP C[NH2+]CCC1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000562762963 1018613133 /nfs/dbraw/zinc/61/31/33/1018613133.db2.gz BGBDYBFVFJTWLG-UHFFFAOYSA-N 2 2 381.524 3.740 20 0 GHADLP CC(=O)n1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c2ccccc21 ZINC001204404121 1032826852 /nfs/dbraw/zinc/82/68/52/1032826852.db2.gz DZDULFKFVLYXJU-HDICACEKSA-N 2 2 379.529 3.927 20 0 GHADLP CC(=O)n1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c2ccccc21 ZINC001204404121 1032826871 /nfs/dbraw/zinc/82/68/71/1032826871.db2.gz DZDULFKFVLYXJU-HDICACEKSA-N 2 2 379.529 3.927 20 0 GHADLP CC(=O)n1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c2ccccc21 ZINC001204404121 1032826884 /nfs/dbraw/zinc/82/68/84/1032826884.db2.gz DZDULFKFVLYXJU-HDICACEKSA-N 2 2 379.529 3.927 20 0 GHADLP CC(=O)n1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c2ccccc21 ZINC001204404121 1032826900 /nfs/dbraw/zinc/82/69/00/1032826900.db2.gz DZDULFKFVLYXJU-HDICACEKSA-N 2 2 379.529 3.927 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)CC1 ZINC001204418788 1032849065 /nfs/dbraw/zinc/84/90/65/1032849065.db2.gz ZIBHBPUDEVAPIF-UHFFFAOYSA-N 2 2 396.478 3.528 20 0 GHADLP CC(=O)N(c1nc(C[NH+]2CCC(C[NH3+])CC2)cs1)c1cccc(Cl)c1 ZINC000573684887 1019836380 /nfs/dbraw/zinc/83/63/80/1019836380.db2.gz QUNMXTMKQXJRDJ-UHFFFAOYSA-N 2 2 378.929 3.652 20 0 GHADLP Cc1[nH+]cn(-c2ccc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)cc2)c1C ZINC000576604777 1020042220 /nfs/dbraw/zinc/04/22/20/1020042220.db2.gz LMXMHYWHNVWEPV-HXUWFJFHSA-N 2 2 384.549 3.645 20 0 GHADLP Fc1cccc(C(F)(F)F)c1C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001204461855 1032904298 /nfs/dbraw/zinc/90/42/98/1032904298.db2.gz YOFRCHUPRBFTKG-UHFFFAOYSA-N 2 2 396.432 3.695 20 0 GHADLP Fc1cccc(C(F)(F)F)c1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001204461855 1032904299 /nfs/dbraw/zinc/90/42/99/1032904299.db2.gz YOFRCHUPRBFTKG-UHFFFAOYSA-N 2 2 396.432 3.695 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2=O)cc1 ZINC000779438014 1020788316 /nfs/dbraw/zinc/78/83/16/1020788316.db2.gz JBGFQQCWKRBFTL-XGAJZPNHSA-N 2 2 389.543 3.886 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2=O)cc1 ZINC000779438014 1020788323 /nfs/dbraw/zinc/78/83/23/1020788323.db2.gz JBGFQQCWKRBFTL-XGAJZPNHSA-N 2 2 389.543 3.886 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4cc(C)cc(C)c4)CC[C@@H]3C2)cs1 ZINC001204522581 1032948354 /nfs/dbraw/zinc/94/83/54/1032948354.db2.gz OGPBEAPOJAMLHS-IFMALSPDSA-N 2 2 385.577 3.791 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4cc(C)cc(C)c4)CC[C@@H]3C2)cs1 ZINC001204522581 1032948357 /nfs/dbraw/zinc/94/83/57/1032948357.db2.gz OGPBEAPOJAMLHS-IFMALSPDSA-N 2 2 385.577 3.791 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4cc(C)cc(C)c4)CC[C@@H]3C2)cs1 ZINC001204522581 1032948360 /nfs/dbraw/zinc/94/83/60/1032948360.db2.gz OGPBEAPOJAMLHS-IFMALSPDSA-N 2 2 385.577 3.791 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4cc(C)cc(C)c4)CC[C@@H]3C2)cs1 ZINC001204522581 1032948365 /nfs/dbraw/zinc/94/83/65/1032948365.db2.gz OGPBEAPOJAMLHS-IFMALSPDSA-N 2 2 385.577 3.791 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3cccc(OC)c3)no2)[C@@H](C)C1 ZINC000903293079 1021589536 /nfs/dbraw/zinc/58/95/36/1021589536.db2.gz AHSQJMICLNXKNS-LAUBAEHRSA-N 2 2 387.524 3.577 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3cccc(OC)c3)no2)[C@@H](C)C1 ZINC000903293079 1021589546 /nfs/dbraw/zinc/58/95/46/1021589546.db2.gz AHSQJMICLNXKNS-LAUBAEHRSA-N 2 2 387.524 3.577 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2c[nH]c3ncc(Br)cc23)C1 ZINC001140460475 1021749805 /nfs/dbraw/zinc/74/98/05/1021749805.db2.gz DAADVKBKLKOCFB-OAHLLOKOSA-N 2 2 387.281 3.682 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2c[nH]c3ncc(Br)cc23)C1 ZINC001140460475 1021749816 /nfs/dbraw/zinc/74/98/16/1021749816.db2.gz DAADVKBKLKOCFB-OAHLLOKOSA-N 2 2 387.281 3.682 20 0 GHADLP COc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001140734408 1022391988 /nfs/dbraw/zinc/39/19/88/1022391988.db2.gz VQJOTUIPOLWEMK-DYESRHJHSA-N 2 2 378.944 3.529 20 0 GHADLP COc1cccc(Cl)c1C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001140734408 1022392005 /nfs/dbraw/zinc/39/20/05/1022392005.db2.gz VQJOTUIPOLWEMK-DYESRHJHSA-N 2 2 378.944 3.529 20 0 GHADLP COc1cccc(Cl)c1C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001140734408 1022392020 /nfs/dbraw/zinc/39/20/20/1022392020.db2.gz VQJOTUIPOLWEMK-DYESRHJHSA-N 2 2 378.944 3.529 20 0 GHADLP COc1cccc(Cl)c1C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001140734408 1022392037 /nfs/dbraw/zinc/39/20/37/1022392037.db2.gz VQJOTUIPOLWEMK-DYESRHJHSA-N 2 2 378.944 3.529 20 0 GHADLP CCCNC(=O)c1ccccc1OC1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140806509 1022581415 /nfs/dbraw/zinc/58/14/15/1022581415.db2.gz LEDIDZUTCAHQHH-UHFFFAOYSA-N 2 2 392.503 3.746 20 0 GHADLP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC001140973922 1023049506 /nfs/dbraw/zinc/04/95/06/1023049506.db2.gz QKSVADWMVZSEAC-UHFFFAOYSA-N 3 2 392.591 3.535 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC001140973922 1023049518 /nfs/dbraw/zinc/04/95/18/1023049518.db2.gz QKSVADWMVZSEAC-UHFFFAOYSA-N 3 2 392.591 3.535 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C(C)(C)O)cc3)CC2)cc1 ZINC000830599403 1024008831 /nfs/dbraw/zinc/00/88/31/1024008831.db2.gz NSVTTZISFQWBAA-UHFFFAOYSA-N 2 2 395.547 3.627 20 0 GHADLP C[NH+](C)CCOc1cc(Br)ccc1Nc1ccn2cc[nH+]c2c1 ZINC001204997366 1033199965 /nfs/dbraw/zinc/19/99/65/1033199965.db2.gz IZCOXJKDZSQGRP-UHFFFAOYSA-N 2 2 375.270 3.781 20 0 GHADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)c(OCc3ccccc3)c2)C1 ZINC001205017331 1033211745 /nfs/dbraw/zinc/21/17/45/1033211745.db2.gz NALIYLNLIBMLOX-LJQANCHMSA-N 2 2 384.520 3.714 20 0 GHADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)c(OCc3ccccc3)c2)C1 ZINC001205017331 1033211754 /nfs/dbraw/zinc/21/17/54/1033211754.db2.gz NALIYLNLIBMLOX-LJQANCHMSA-N 2 2 384.520 3.714 20 0 GHADLP COc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1Cl ZINC001138472352 1024900822 /nfs/dbraw/zinc/90/08/22/1024900822.db2.gz VPCLJNZVDOCOME-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP COc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1Cl ZINC001138472352 1024900824 /nfs/dbraw/zinc/90/08/24/1024900824.db2.gz VPCLJNZVDOCOME-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP CCOC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)Cc2cn(CC)nc21 ZINC001138548907 1024996058 /nfs/dbraw/zinc/99/60/58/1024996058.db2.gz KAYDUPUWPOQIJV-FQEVSTJZSA-N 2 2 379.508 3.533 20 0 GHADLP CCOC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)Cc2cn(CC)nc21 ZINC001138548907 1024996060 /nfs/dbraw/zinc/99/60/60/1024996060.db2.gz KAYDUPUWPOQIJV-FQEVSTJZSA-N 2 2 379.508 3.533 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3N3CCCC3)CC2)CC1 ZINC001138608849 1025099313 /nfs/dbraw/zinc/09/93/13/1025099313.db2.gz AEHSJUBZOKYPDD-UHFFFAOYSA-N 2 2 399.579 3.526 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cccc(Oc4ncccn4)c3)C2)C1 ZINC001138619951 1025113744 /nfs/dbraw/zinc/11/37/44/1025113744.db2.gz KPMSLGGRCGUPSM-QHCPKHFHSA-N 2 2 396.535 3.592 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cccc(Oc4ncccn4)c3)C2)C1 ZINC001138619951 1025113748 /nfs/dbraw/zinc/11/37/48/1025113748.db2.gz KPMSLGGRCGUPSM-QHCPKHFHSA-N 2 2 396.535 3.592 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cccc(Oc4ncccn4)c3)C2)C1 ZINC001138619951 1025113757 /nfs/dbraw/zinc/11/37/57/1025113757.db2.gz KPMSLGGRCGUPSM-QHCPKHFHSA-N 2 2 396.535 3.592 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cccc(Oc4ncccn4)c3)C2)C1 ZINC001138619951 1025113763 /nfs/dbraw/zinc/11/37/63/1025113763.db2.gz KPMSLGGRCGUPSM-QHCPKHFHSA-N 2 2 396.535 3.592 20 0 GHADLP CC(C)C[C@@H](C(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1)n1cc[nH+]c1 ZINC001161896727 1025480769 /nfs/dbraw/zinc/48/07/69/1025480769.db2.gz SHJVJAVBZSXZDZ-QFIPXVFZSA-N 2 2 390.531 3.966 20 0 GHADLP CC(C)C[C@H](C(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1)n1cc[nH+]c1 ZINC001161896726 1025481502 /nfs/dbraw/zinc/48/15/02/1025481502.db2.gz SHJVJAVBZSXZDZ-JOCHJYFZSA-N 2 2 390.531 3.966 20 0 GHADLP COc1ccc(CC[C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001461034307 1069348354 /nfs/dbraw/zinc/34/83/54/1069348354.db2.gz AGZVPNRRHIKNCC-OAQYLSRUSA-N 2 2 381.564 3.818 20 0 GHADLP c1cc(C[NH+]2CCOCC2)cc(C[NH+]2CCC(Sc3ccncc3)CC2)c1 ZINC001139058860 1025848179 /nfs/dbraw/zinc/84/81/79/1025848179.db2.gz FVPBZXPFWXGVIF-UHFFFAOYSA-N 2 2 383.561 3.671 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(Oc5ncccn5)cc4)C[C@@H]3C2)c1 ZINC001139078028 1025888622 /nfs/dbraw/zinc/88/86/22/1025888622.db2.gz OHXKTMYXOFMGGR-RTBURBONSA-N 2 2 392.528 3.894 20 0 GHADLP C[C@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC001461050249 1069361179 /nfs/dbraw/zinc/36/11/79/1069361179.db2.gz ZXNMRJCLLZLQQN-KFWWJZLASA-N 2 2 381.483 3.685 20 0 GHADLP C[C@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC001461050249 1069361188 /nfs/dbraw/zinc/36/11/88/1069361188.db2.gz ZXNMRJCLLZLQQN-KFWWJZLASA-N 2 2 381.483 3.685 20 0 GHADLP CC(C)[N@@H+]1CC[C@H](Nc2ncnc3c2C[NH+](Cc2ccccc2)CC3)[C@@H](C)C1 ZINC001163363367 1026160313 /nfs/dbraw/zinc/16/03/13/1026160313.db2.gz QJLNAKAKBQPKDW-RXVVDRJESA-N 2 2 379.552 3.566 20 0 GHADLP CC(C)[N@H+]1CC[C@H](Nc2ncnc3c2C[NH+](Cc2ccccc2)CC3)[C@@H](C)C1 ZINC001163363367 1026160318 /nfs/dbraw/zinc/16/03/18/1026160318.db2.gz QJLNAKAKBQPKDW-RXVVDRJESA-N 2 2 379.552 3.566 20 0 GHADLP CC(C)[NH+]1CC[C@H](Nc2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@@H](C)C1 ZINC001163363367 1026160325 /nfs/dbraw/zinc/16/03/25/1026160325.db2.gz QJLNAKAKBQPKDW-RXVVDRJESA-N 2 2 379.552 3.566 20 0 GHADLP CC(C)[NH+]1CC[C@H](Nc2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@@H](C)C1 ZINC001163363367 1026160329 /nfs/dbraw/zinc/16/03/29/1026160329.db2.gz QJLNAKAKBQPKDW-RXVVDRJESA-N 2 2 379.552 3.566 20 0 GHADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC001139421698 1026290725 /nfs/dbraw/zinc/29/07/25/1026290725.db2.gz ZNAXUBAFAKVPII-UHFFFAOYSA-N 2 2 375.520 3.754 20 0 GHADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC001139421698 1026290736 /nfs/dbraw/zinc/29/07/36/1026290736.db2.gz ZNAXUBAFAKVPII-UHFFFAOYSA-N 2 2 375.520 3.754 20 0 GHADLP Brc1ccc(Br)c(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC001461090627 1069383838 /nfs/dbraw/zinc/38/38/38/1069383838.db2.gz AQTREWNOYVJCTE-UHFFFAOYSA-N 2 2 387.119 3.978 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1ccc(-c2ccc(F)cn2)n1 ZINC000840016841 1026408822 /nfs/dbraw/zinc/40/88/22/1026408822.db2.gz VRFZMLDXSLVCBF-UHFFFAOYSA-N 2 2 394.498 3.675 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1ccc(-c2ccc(F)cn2)n1 ZINC000840016841 1026408825 /nfs/dbraw/zinc/40/88/25/1026408825.db2.gz VRFZMLDXSLVCBF-UHFFFAOYSA-N 2 2 394.498 3.675 20 0 GHADLP CSCC[N@H+](C)Cc1cccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001139708351 1026552676 /nfs/dbraw/zinc/55/26/76/1026552676.db2.gz IFQCGUJVXDJNOH-UHFFFAOYSA-N 2 2 393.597 3.534 20 0 GHADLP CSCC[N@@H+](C)Cc1cccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001139708351 1026552684 /nfs/dbraw/zinc/55/26/84/1026552684.db2.gz IFQCGUJVXDJNOH-UHFFFAOYSA-N 2 2 393.597 3.534 20 0 GHADLP C[N@H+](CCc1cccc(Cl)c1)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763955 1026602809 /nfs/dbraw/zinc/60/28/09/1026602809.db2.gz WRAJMCYHXYEYJY-UHFFFAOYSA-N 2 2 388.939 3.726 20 0 GHADLP C[N@@H+](CCc1cccc(Cl)c1)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763955 1026602814 /nfs/dbraw/zinc/60/28/14/1026602814.db2.gz WRAJMCYHXYEYJY-UHFFFAOYSA-N 2 2 388.939 3.726 20 0 GHADLP c1ccc(C[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C2CCC2)cc1 ZINC001139768523 1026604443 /nfs/dbraw/zinc/60/44/43/1026604443.db2.gz LHDUMOXRSJKJGH-UHFFFAOYSA-N 2 2 380.532 3.952 20 0 GHADLP c1ccc(C[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C2CCC2)cc1 ZINC001139768523 1026604450 /nfs/dbraw/zinc/60/44/50/1026604450.db2.gz LHDUMOXRSJKJGH-UHFFFAOYSA-N 2 2 380.532 3.952 20 0 GHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001165187377 1026653817 /nfs/dbraw/zinc/65/38/17/1026653817.db2.gz KAATUGILUIUHTB-TWGQIWQCSA-N 2 2 397.494 3.816 20 0 GHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001165187377 1026653822 /nfs/dbraw/zinc/65/38/22/1026653822.db2.gz KAATUGILUIUHTB-TWGQIWQCSA-N 2 2 397.494 3.816 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(F)c4ccccc34)C2)C1 ZINC001139889997 1026705996 /nfs/dbraw/zinc/70/59/96/1026705996.db2.gz NREVBRMCCCAONT-HSZRJFAPSA-N 2 2 386.511 3.540 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(F)c4ccccc34)C2)C1 ZINC001139889997 1026706005 /nfs/dbraw/zinc/70/60/05/1026706005.db2.gz NREVBRMCCCAONT-HSZRJFAPSA-N 2 2 386.511 3.540 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(F)c4ccccc34)C2)C1 ZINC001139889997 1026706013 /nfs/dbraw/zinc/70/60/13/1026706013.db2.gz NREVBRMCCCAONT-HSZRJFAPSA-N 2 2 386.511 3.540 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(F)c4ccccc34)C2)C1 ZINC001139889997 1026706018 /nfs/dbraw/zinc/70/60/18/1026706018.db2.gz NREVBRMCCCAONT-HSZRJFAPSA-N 2 2 386.511 3.540 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cn2cccc(F)c2n1 ZINC001203548520 1027424253 /nfs/dbraw/zinc/42/42/53/1027424253.db2.gz PKKLLZZXHFONNX-UHFFFAOYSA-N 2 2 380.471 3.777 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2nc3c(s2)CCCC3)CC1 ZINC001203590902 1027456110 /nfs/dbraw/zinc/45/61/10/1027456110.db2.gz FMCNLPCMWUUZGW-UHFFFAOYSA-N 2 2 390.984 3.717 20 0 GHADLP C[NH+]1CCC(n2cc(Nc3cc[nH+]c4ccc(Br)cc34)cn2)CC1 ZINC001210754708 1027637912 /nfs/dbraw/zinc/63/79/12/1027637912.db2.gz JALJCPULOQPHAG-UHFFFAOYSA-N 2 2 386.297 3.626 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3[nH]cnc3C(C)(C)C)C[C@@H]21 ZINC001142226153 1028420096 /nfs/dbraw/zinc/42/00/96/1028420096.db2.gz HTSRIAUKXRIMNO-HFSMHLIXSA-N 2 2 381.568 3.835 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3[nH]cnc3C(C)(C)C)C[C@@H]21 ZINC001142226153 1028420123 /nfs/dbraw/zinc/42/01/23/1028420123.db2.gz HTSRIAUKXRIMNO-HFSMHLIXSA-N 2 2 381.568 3.835 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3[nH]cnc3C(C)(C)C)C[C@@H]21 ZINC001142226153 1028420130 /nfs/dbraw/zinc/42/01/30/1028420130.db2.gz HTSRIAUKXRIMNO-HFSMHLIXSA-N 2 2 381.568 3.835 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3[nH]cnc3C(C)(C)C)C[C@@H]21 ZINC001142226153 1028420154 /nfs/dbraw/zinc/42/01/54/1028420154.db2.gz HTSRIAUKXRIMNO-HFSMHLIXSA-N 2 2 381.568 3.835 20 0 GHADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC001142239609 1028449014 /nfs/dbraw/zinc/44/90/14/1028449014.db2.gz IVNGXESKJPCIAT-GHTZIAJQSA-N 2 2 389.559 3.807 20 0 GHADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC001142239609 1028449027 /nfs/dbraw/zinc/44/90/27/1028449027.db2.gz IVNGXESKJPCIAT-GHTZIAJQSA-N 2 2 389.559 3.807 20 0 GHADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC001142239609 1028449039 /nfs/dbraw/zinc/44/90/39/1028449039.db2.gz IVNGXESKJPCIAT-GHTZIAJQSA-N 2 2 389.559 3.807 20 0 GHADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC001142239609 1028449054 /nfs/dbraw/zinc/44/90/54/1028449054.db2.gz IVNGXESKJPCIAT-GHTZIAJQSA-N 2 2 389.559 3.807 20 0 GHADLP CN(CC[N@H+](C)Cc1ccccc1)C(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1 ZINC001142368489 1028768727 /nfs/dbraw/zinc/76/87/27/1028768727.db2.gz ONZDSGSGYZAJEI-OUKQBFOZSA-N 2 2 388.515 3.535 20 0 GHADLP CN(CC[N@@H+](C)Cc1ccccc1)C(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1 ZINC001142368489 1028768742 /nfs/dbraw/zinc/76/87/42/1028768742.db2.gz ONZDSGSGYZAJEI-OUKQBFOZSA-N 2 2 388.515 3.535 20 0 GHADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001142622430 1029166911 /nfs/dbraw/zinc/16/69/11/1029166911.db2.gz DPQCCEXXRRJZIA-SFTDATJTSA-N 2 2 375.532 3.561 20 0 GHADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001142622430 1029166918 /nfs/dbraw/zinc/16/69/18/1029166918.db2.gz DPQCCEXXRRJZIA-SFTDATJTSA-N 2 2 375.532 3.561 20 0 GHADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001142622430 1029166923 /nfs/dbraw/zinc/16/69/23/1029166923.db2.gz DPQCCEXXRRJZIA-SFTDATJTSA-N 2 2 375.532 3.561 20 0 GHADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001142622430 1029166933 /nfs/dbraw/zinc/16/69/33/1029166933.db2.gz DPQCCEXXRRJZIA-SFTDATJTSA-N 2 2 375.532 3.561 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1Nc1cc[nH+]cc1Oc1ccccc1 ZINC001215545590 1029267674 /nfs/dbraw/zinc/26/76/74/1029267674.db2.gz XAGUYLLHTGHWFQ-UHFFFAOYSA-N 2 2 391.471 3.880 20 0 GHADLP COc1cc(OC)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c(OC)c1 ZINC000842670511 1029472935 /nfs/dbraw/zinc/47/29/35/1029472935.db2.gz HIFLHBXKIPINSE-IBGZPJMESA-N 2 2 396.531 3.999 20 0 GHADLP COc1cc(OC)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c(OC)c1 ZINC000842670511 1029472946 /nfs/dbraw/zinc/47/29/46/1029472946.db2.gz HIFLHBXKIPINSE-IBGZPJMESA-N 2 2 396.531 3.999 20 0 GHADLP O=C(CC1CCC2(CC1)CC[NH+](Cc1ccc3[nH+]ccn3c1)CC2)N1CC=CC1 ZINC001143021380 1029787728 /nfs/dbraw/zinc/78/77/28/1029787728.db2.gz YEVALHUGHVQHLA-UHFFFAOYSA-N 2 2 392.547 3.895 20 0 GHADLP Fc1c(Br)ccc(C(F)(F)F)c1C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001222208076 1030004977 /nfs/dbraw/zinc/00/49/77/1030004977.db2.gz JXCOSSMWZCHYML-UHFFFAOYSA-N 2 2 381.211 3.792 20 0 GHADLP CCOc1c(Br)cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC001461604608 1069636129 /nfs/dbraw/zinc/63/61/29/1069636129.db2.gz HFKRBUAFTFNCOY-IRXDYDNUSA-N 2 2 397.357 3.963 20 0 GHADLP CCOc1c(Br)cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC001461604608 1069636133 /nfs/dbraw/zinc/63/61/33/1069636133.db2.gz HFKRBUAFTFNCOY-IRXDYDNUSA-N 2 2 397.357 3.963 20 0 GHADLP Cc1nc(-c2noc(-c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)n2)ccc1F ZINC001217114396 1030175967 /nfs/dbraw/zinc/17/59/67/1030175967.db2.gz KKKSMMHTUJYZRZ-UHFFFAOYSA-N 2 2 383.471 3.630 20 0 GHADLP Cc1nc(-c2noc(-c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)n2)ccc1F ZINC001217114396 1030175977 /nfs/dbraw/zinc/17/59/77/1030175977.db2.gz KKKSMMHTUJYZRZ-UHFFFAOYSA-N 2 2 383.471 3.630 20 0 GHADLP COc1c(F)cccc1-c1noc(-c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)n1 ZINC001217116823 1030178477 /nfs/dbraw/zinc/17/84/77/1030178477.db2.gz ROPJUNVVKRYDMG-UHFFFAOYSA-N 2 2 398.482 3.935 20 0 GHADLP COc1c(F)cccc1-c1noc(-c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)n1 ZINC001217116823 1030178484 /nfs/dbraw/zinc/17/84/84/1030178484.db2.gz ROPJUNVVKRYDMG-UHFFFAOYSA-N 2 2 398.482 3.935 20 0 GHADLP C[NH2+][C@H](C(=O)NC1C[NH+](C(c2ccccc2)c2ccccc2)C1)c1ccccc1 ZINC001219716274 1031575656 /nfs/dbraw/zinc/57/56/56/1031575656.db2.gz IGTFVWXSOWRKGS-QHCPKHFHSA-N 2 2 385.511 3.537 20 0 GHADLP C[C@H]1[C@H](NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001220195349 1031831371 /nfs/dbraw/zinc/83/13/71/1031831371.db2.gz YOSUGXIRHLCXTR-GHTZIAJQSA-N 2 2 393.535 3.856 20 0 GHADLP C[C@H]1[C@H](NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001220195349 1031831383 /nfs/dbraw/zinc/83/13/83/1031831383.db2.gz YOSUGXIRHLCXTR-GHTZIAJQSA-N 2 2 393.535 3.856 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CCC[C@@H]3CCC(C)C)CC2)CC1 ZINC001226485859 1031976776 /nfs/dbraw/zinc/97/67/76/1031976776.db2.gz DKLIDZGWEOTEFL-IRLDBZIGSA-N 2 2 392.632 3.793 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CCC[C@@H]3CCC(C)C)CC2)CC1 ZINC001226485859 1031976781 /nfs/dbraw/zinc/97/67/81/1031976781.db2.gz DKLIDZGWEOTEFL-IRLDBZIGSA-N 2 2 392.632 3.793 20 0 GHADLP C[C@@H]([NH2+][C@@H](CC(N)=O)c1ccccc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001205311057 1033353383 /nfs/dbraw/zinc/35/33/83/1033353383.db2.gz AZGQXWAEKGEABD-MMOPVJDHSA-N 2 2 385.939 3.757 20 0 GHADLP C[C@@H]([NH2+][C@@H](CC(N)=O)c1ccccc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001205311057 1033353401 /nfs/dbraw/zinc/35/34/01/1033353401.db2.gz AZGQXWAEKGEABD-MMOPVJDHSA-N 2 2 385.939 3.757 20 0 GHADLP Brc1cccc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)n1 ZINC001205976667 1033663888 /nfs/dbraw/zinc/66/38/88/1033663888.db2.gz YBMOYSVQDLEBHV-UHFFFAOYSA-N 2 2 386.337 3.942 20 0 GHADLP [NH3+]CCC1CC[NH+](Cc2cc(F)c(Br)cc2Br)CC1 ZINC001206506669 1033881107 /nfs/dbraw/zinc/88/11/07/1033881107.db2.gz KLVKQZMDNDLTIL-UHFFFAOYSA-N 2 2 394.126 3.912 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4cnn([C@@H]5CCCCO5)c4c3)cc2)C1 ZINC001206672482 1033938805 /nfs/dbraw/zinc/93/88/05/1033938805.db2.gz AWNWIZXKGNIJGB-GGAORHGYSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4cnn([C@@H]5CCCCO5)c4c3)cc2)C1 ZINC001206672482 1033938811 /nfs/dbraw/zinc/93/88/11/1033938811.db2.gz AWNWIZXKGNIJGB-GGAORHGYSA-N 2 2 376.504 3.935 20 0 GHADLP CCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H](c3ccc(Br)cc3)C2)C1 ZINC001206777935 1033980180 /nfs/dbraw/zinc/98/01/80/1033980180.db2.gz XFTRYTMIDDRAQN-QYZOEREBSA-N 2 2 380.374 3.658 20 0 GHADLP CCC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H](c3ccc(Br)cc3)C2)C1 ZINC001206777935 1033980187 /nfs/dbraw/zinc/98/01/87/1033980187.db2.gz XFTRYTMIDDRAQN-QYZOEREBSA-N 2 2 380.374 3.658 20 0 GHADLP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@H](c3ccc(Br)cc3)C2)C1 ZINC001206777935 1033980194 /nfs/dbraw/zinc/98/01/94/1033980194.db2.gz XFTRYTMIDDRAQN-QYZOEREBSA-N 2 2 380.374 3.658 20 0 GHADLP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@H](c3ccc(Br)cc3)C2)C1 ZINC001206777935 1033980198 /nfs/dbraw/zinc/98/01/98/1033980198.db2.gz XFTRYTMIDDRAQN-QYZOEREBSA-N 2 2 380.374 3.658 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3CC=C(CCCC(C)(C)O)CC3)CC2)c1 ZINC001207409288 1034348993 /nfs/dbraw/zinc/34/89/93/1034348993.db2.gz BJJIKDQKKITVCR-FQEVSTJZSA-N 2 2 387.568 3.880 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](CCc3cccc(Br)c3)C2)C1 ZINC001207507420 1034412349 /nfs/dbraw/zinc/41/23/49/1034412349.db2.gz SPWCPDUIRUNYMA-HXUWFJFHSA-N 2 2 395.385 3.814 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](CCc3cccc(Br)c3)C2)C1 ZINC001207507420 1034412354 /nfs/dbraw/zinc/41/23/54/1034412354.db2.gz SPWCPDUIRUNYMA-HXUWFJFHSA-N 2 2 395.385 3.814 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](CCc3cccc(Br)c3)C2)C1 ZINC001207507420 1034412361 /nfs/dbraw/zinc/41/23/61/1034412361.db2.gz SPWCPDUIRUNYMA-HXUWFJFHSA-N 2 2 395.385 3.814 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](CCc3cccc(Br)c3)C2)C1 ZINC001207507420 1034412364 /nfs/dbraw/zinc/41/23/64/1034412364.db2.gz SPWCPDUIRUNYMA-HXUWFJFHSA-N 2 2 395.385 3.814 20 0 GHADLP Nc1ccc[nH+]c1N(CC1CC[NH2+]CC1)c1ccc(OCC(F)(F)F)cc1 ZINC001159333319 1034548273 /nfs/dbraw/zinc/54/82/73/1034548273.db2.gz CLVGDSXWUBPAKX-UHFFFAOYSA-N 2 2 380.414 3.743 20 0 GHADLP CC[N@H+](C[C@@H]1[C@@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)C1CC[NH+](C)CC1 ZINC001207821187 1034598050 /nfs/dbraw/zinc/59/80/50/1034598050.db2.gz HNZJXMXRKLGHEX-DOTOQJQBSA-N 2 2 389.531 3.541 20 0 GHADLP CC[N@@H+](C[C@@H]1[C@@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)C1CC[NH+](C)CC1 ZINC001207821187 1034598062 /nfs/dbraw/zinc/59/80/62/1034598062.db2.gz HNZJXMXRKLGHEX-DOTOQJQBSA-N 2 2 389.531 3.541 20 0 GHADLP COc1ccc[nH+]c1NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001159514629 1034629661 /nfs/dbraw/zinc/62/96/61/1034629661.db2.gz DNLPPOINKCXAIW-NRFANRHFSA-N 2 2 377.488 3.565 20 0 GHADLP Oc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1C(F)(F)F ZINC001231523060 1034675587 /nfs/dbraw/zinc/67/55/87/1034675587.db2.gz WOQUAFGUBXXAFA-MSOLQXFVSA-N 2 2 391.437 3.760 20 0 GHADLP Oc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1C(F)(F)F ZINC001231523060 1034675597 /nfs/dbraw/zinc/67/55/97/1034675597.db2.gz WOQUAFGUBXXAFA-MSOLQXFVSA-N 2 2 391.437 3.760 20 0 GHADLP Oc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1C(F)(F)F ZINC001231523060 1034675603 /nfs/dbraw/zinc/67/56/03/1034675603.db2.gz WOQUAFGUBXXAFA-MSOLQXFVSA-N 2 2 391.437 3.760 20 0 GHADLP Oc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1C(F)(F)F ZINC001231523060 1034675606 /nfs/dbraw/zinc/67/56/06/1034675606.db2.gz WOQUAFGUBXXAFA-MSOLQXFVSA-N 2 2 391.437 3.760 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](C[C@@H]4CCC(C)=C[C@@H]4C)CC[C@@H]3C2)cs1 ZINC001208176275 1034776304 /nfs/dbraw/zinc/77/63/04/1034776304.db2.gz QAYFNDIUMUFZKY-LLMJNHHCSA-N 2 2 389.609 3.967 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](C[C@@H]4CCC(C)=C[C@@H]4C)CC[C@@H]3C2)cs1 ZINC001208176275 1034776318 /nfs/dbraw/zinc/77/63/18/1034776318.db2.gz QAYFNDIUMUFZKY-LLMJNHHCSA-N 2 2 389.609 3.967 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](C[C@@H]4CCC(C)=C[C@@H]4C)CC[C@@H]3C2)cs1 ZINC001208176275 1034776330 /nfs/dbraw/zinc/77/63/30/1034776330.db2.gz QAYFNDIUMUFZKY-LLMJNHHCSA-N 2 2 389.609 3.967 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](C[C@@H]4CCC(C)=C[C@@H]4C)CC[C@@H]3C2)cs1 ZINC001208176275 1034776344 /nfs/dbraw/zinc/77/63/44/1034776344.db2.gz QAYFNDIUMUFZKY-LLMJNHHCSA-N 2 2 389.609 3.967 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC2)cc1 ZINC001160165988 1034887170 /nfs/dbraw/zinc/88/71/70/1034887170.db2.gz XOADTFCVMUVCPI-HSZRJFAPSA-N 2 2 385.596 3.965 20 0 GHADLP FC1(F)CN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC[C@@H]1[NH+]1CCCC1 ZINC001208592727 1034948248 /nfs/dbraw/zinc/94/82/48/1034948248.db2.gz AHTDGGGAEMCXHY-SFTDATJTSA-N 2 2 377.523 3.847 20 0 GHADLP FC1(F)CN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC[C@@H]1[NH+]1CCCC1 ZINC001208592727 1034948252 /nfs/dbraw/zinc/94/82/52/1034948252.db2.gz AHTDGGGAEMCXHY-SFTDATJTSA-N 2 2 377.523 3.847 20 0 GHADLP Cc1cc(N2CC[NH+](CCCc3ccc(C(F)(F)F)cc3)CC2)nc(C)[nH+]1 ZINC001208690583 1034981864 /nfs/dbraw/zinc/98/18/64/1034981864.db2.gz SBMZASPLJHSNAJ-UHFFFAOYSA-N 2 2 378.442 3.867 20 0 GHADLP CCN(CC)c1cc(N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])nc[nH+]1 ZINC001160634732 1035022240 /nfs/dbraw/zinc/02/22/40/1035022240.db2.gz KQUJJENPPMITKM-MXXWWZHRSA-N 2 2 385.515 3.722 20 0 GHADLP COc1ccc(-c2c(C[N@H+](C3CCCC3)C3CC[NH+](C)CC3)cnn2C)cc1 ZINC001232109941 1035099108 /nfs/dbraw/zinc/09/91/08/1035099108.db2.gz IGRHOJSXIUDEFM-UHFFFAOYSA-N 2 2 382.552 3.935 20 0 GHADLP COc1ccc(-c2c(C[N@@H+](C3CCCC3)C3CC[NH+](C)CC3)cnn2C)cc1 ZINC001232109941 1035099118 /nfs/dbraw/zinc/09/91/18/1035099118.db2.gz IGRHOJSXIUDEFM-UHFFFAOYSA-N 2 2 382.552 3.935 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208936192 1035103383 /nfs/dbraw/zinc/10/33/83/1035103383.db2.gz NRUZQVNYAAOMJU-JWQCQUIFSA-N 3 2 399.623 3.721 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208936192 1035103384 /nfs/dbraw/zinc/10/33/84/1035103384.db2.gz NRUZQVNYAAOMJU-JWQCQUIFSA-N 3 2 399.623 3.721 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208936192 1035103386 /nfs/dbraw/zinc/10/33/86/1035103386.db2.gz NRUZQVNYAAOMJU-JWQCQUIFSA-N 3 2 399.623 3.721 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208936192 1035103389 /nfs/dbraw/zinc/10/33/89/1035103389.db2.gz NRUZQVNYAAOMJU-JWQCQUIFSA-N 3 2 399.623 3.721 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208936195 1035103722 /nfs/dbraw/zinc/10/37/22/1035103722.db2.gz NRUZQVNYAAOMJU-RPBOFIJWSA-N 3 2 399.623 3.721 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208936195 1035103725 /nfs/dbraw/zinc/10/37/25/1035103725.db2.gz NRUZQVNYAAOMJU-RPBOFIJWSA-N 3 2 399.623 3.721 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208936195 1035103728 /nfs/dbraw/zinc/10/37/28/1035103728.db2.gz NRUZQVNYAAOMJU-RPBOFIJWSA-N 3 2 399.623 3.721 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208936195 1035103730 /nfs/dbraw/zinc/10/37/30/1035103730.db2.gz NRUZQVNYAAOMJU-RPBOFIJWSA-N 3 2 399.623 3.721 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCN(c4ccc5ccccc5n4)CC3)C2)cc1 ZINC001208953488 1035125668 /nfs/dbraw/zinc/12/56/68/1035125668.db2.gz PWPBRLBGGWAMLK-JOCHJYFZSA-N 2 2 386.543 3.879 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCN(c4ccc5ccccc5n4)CC3)C2)cc1 ZINC001208953488 1035125671 /nfs/dbraw/zinc/12/56/71/1035125671.db2.gz PWPBRLBGGWAMLK-JOCHJYFZSA-N 2 2 386.543 3.879 20 0 GHADLP C[NH+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952782 1035126037 /nfs/dbraw/zinc/12/60/37/1035126037.db2.gz LKRRMZMNWHWGSZ-JWQCQUIFSA-N 3 2 377.576 3.962 20 0 GHADLP C[NH+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952782 1035126041 /nfs/dbraw/zinc/12/60/41/1035126041.db2.gz LKRRMZMNWHWGSZ-JWQCQUIFSA-N 3 2 377.576 3.962 20 0 GHADLP COc1cc(N2CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)ccc1Cl ZINC001208955759 1035127500 /nfs/dbraw/zinc/12/75/00/1035127500.db2.gz FHSUDIQORZVKAD-FQEVSTJZSA-N 2 2 399.966 3.993 20 0 GHADLP COc1cc(N2CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1Cl ZINC001208955759 1035127508 /nfs/dbraw/zinc/12/75/08/1035127508.db2.gz FHSUDIQORZVKAD-FQEVSTJZSA-N 2 2 399.966 3.993 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001232149650 1035127732 /nfs/dbraw/zinc/12/77/32/1035127732.db2.gz NPOGFUVTPIHHMH-PKTZIBPZSA-N 3 2 381.539 3.841 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001232149650 1035127737 /nfs/dbraw/zinc/12/77/37/1035127737.db2.gz NPOGFUVTPIHHMH-PKTZIBPZSA-N 3 2 381.539 3.841 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001232149650 1035127743 /nfs/dbraw/zinc/12/77/43/1035127743.db2.gz NPOGFUVTPIHHMH-PKTZIBPZSA-N 3 2 381.539 3.841 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001232149650 1035127746 /nfs/dbraw/zinc/12/77/46/1035127746.db2.gz NPOGFUVTPIHHMH-PKTZIBPZSA-N 3 2 381.539 3.841 20 0 GHADLP COc1cc2[nH+]c(NCC3CC[NH+](Cc4ccccn4)CC3)ccc2c(OC)c1 ZINC001161244315 1035190360 /nfs/dbraw/zinc/19/03/60/1035190360.db2.gz CFLKNUFCWFDTDT-UHFFFAOYSA-N 2 2 392.503 3.971 20 0 GHADLP CCOC(=O)c1c(C)cc(NCC2CC[NH+](Cc3ccccn3)CC2)[nH+]c1C ZINC001161246252 1035191104 /nfs/dbraw/zinc/19/11/04/1035191104.db2.gz MJFKATUVBRNCQT-UHFFFAOYSA-N 2 2 382.508 3.594 20 0 GHADLP CC/C=C\CCCCCC[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001209285586 1035231154 /nfs/dbraw/zinc/23/11/54/1035231154.db2.gz KKQOGVRYGSZVMG-RMUOZIPVSA-N 2 2 387.616 3.924 20 0 GHADLP CC/C=C\CCCCCC[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001209285586 1035231156 /nfs/dbraw/zinc/23/11/56/1035231156.db2.gz KKQOGVRYGSZVMG-RMUOZIPVSA-N 2 2 387.616 3.924 20 0 GHADLP C[N@H+](C1CC1)C1CC[NH+](C[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1 ZINC001209317580 1035239761 /nfs/dbraw/zinc/23/97/61/1035239761.db2.gz CGTLZCAFOCHDJT-QFIPXVFZSA-N 2 2 399.579 3.907 20 0 GHADLP C[N@@H+](C1CC1)C1CC[NH+](C[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1 ZINC001209317580 1035239765 /nfs/dbraw/zinc/23/97/65/1035239765.db2.gz CGTLZCAFOCHDJT-QFIPXVFZSA-N 2 2 399.579 3.907 20 0 GHADLP c1nc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc2c1OCCC2 ZINC001209509370 1035296872 /nfs/dbraw/zinc/29/68/72/1035296872.db2.gz BYCFYNMWXZQONM-LNGMVNIQSA-N 2 2 379.548 3.802 20 0 GHADLP c1nc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc2c1OCCC2 ZINC001209509370 1035296879 /nfs/dbraw/zinc/29/68/79/1035296879.db2.gz BYCFYNMWXZQONM-LNGMVNIQSA-N 2 2 379.548 3.802 20 0 GHADLP c1nc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc2c1OCCC2 ZINC001209509370 1035296884 /nfs/dbraw/zinc/29/68/84/1035296884.db2.gz BYCFYNMWXZQONM-LNGMVNIQSA-N 2 2 379.548 3.802 20 0 GHADLP c1nc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc2c1OCCC2 ZINC001209509370 1035296891 /nfs/dbraw/zinc/29/68/91/1035296891.db2.gz BYCFYNMWXZQONM-LNGMVNIQSA-N 2 2 379.548 3.802 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC001241761493 1035685118 /nfs/dbraw/zinc/68/51/18/1035685118.db2.gz PLSBPUODJAROFI-JOCHJYFZSA-N 3 2 379.548 3.751 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC001241761493 1035685168 /nfs/dbraw/zinc/68/51/68/1035685168.db2.gz PLSBPUODJAROFI-JOCHJYFZSA-N 3 2 379.548 3.751 20 0 GHADLP COc1ccc(Cl)c(C[NH2+][C@@]23CC[C@@](NCC[NH+](C)C)(C2)CCC3)c1F ZINC001278345840 1035897204 /nfs/dbraw/zinc/89/72/04/1035897204.db2.gz DJBKTWARVPCQGO-UXHICEINSA-N 2 2 383.939 3.574 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3F)cc2)C1 ZINC001243909170 1036333929 /nfs/dbraw/zinc/33/39/29/1036333929.db2.gz IGKQZAYUZDFFKV-HXUWFJFHSA-N 2 2 381.495 3.652 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3F)cc2)C1 ZINC001243909170 1036333946 /nfs/dbraw/zinc/33/39/46/1036333946.db2.gz IGKQZAYUZDFFKV-HXUWFJFHSA-N 2 2 381.495 3.652 20 0 GHADLP CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001462148129 1070035338 /nfs/dbraw/zinc/03/53/38/1070035338.db2.gz MZIKWKSOJWIWJB-ROUUACIJSA-N 2 2 386.527 3.989 20 0 GHADLP O[C@H](C[NH2+]C[C@@H]1CCC[NH2+]1)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245982781 1037108079 /nfs/dbraw/zinc/10/80/79/1037108079.db2.gz GMEFPGHWIDUISC-QFBILLFUSA-N 2 2 377.315 3.940 20 0 GHADLP O[C@H](C[NH2+]C1(c2cccc(F)c2)CC[NH2+]CC1)COc1cccc2ccccc21 ZINC001246009341 1037129958 /nfs/dbraw/zinc/12/99/58/1037129958.db2.gz YDVRECKOCXDDFT-OAQYLSRUSA-N 2 2 394.490 3.587 20 0 GHADLP CC(C)c1ccc(OC[C@@H](O)C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1 ZINC001246063359 1037175373 /nfs/dbraw/zinc/17/53/73/1037175373.db2.gz IUINVFAXSXBPDC-QFIPXVFZSA-N 2 2 394.559 3.687 20 0 GHADLP CC[C@H]1CC([NH2+]Cc2ccc(C(=O)OC)cc2Br)C[C@H](CC)[NH2+]1 ZINC001246357091 1037316466 /nfs/dbraw/zinc/31/64/66/1037316466.db2.gz VSPVITXTKYTDED-GJZGRUSLSA-N 2 2 383.330 3.635 20 0 GHADLP CC(C)[C@@H]1C[C@@H]([NH2+]C2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246426388 1037384324 /nfs/dbraw/zinc/38/43/24/1037384324.db2.gz AEHXXGQZYHOQPR-OALUTQOASA-N 3 2 383.502 3.736 20 0 GHADLP FC(F)(F)c1cccc(CC2([NH2+][C@H]3CC[NH2+]C4(CCC4)C3)CC[NH2+]CC2)c1 ZINC001246432338 1037394421 /nfs/dbraw/zinc/39/44/21/1037394421.db2.gz XGIXRMDODVFPTE-SFHVURJKSA-N 3 2 381.486 3.634 20 0 GHADLP c1c(C[NH2+][C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)onc1-c1ccc2c(c1)OCO2 ZINC001246472982 1037424773 /nfs/dbraw/zinc/42/47/73/1037424773.db2.gz GEGOROHVZYKNDN-MOPGFXCFSA-N 2 2 391.471 3.523 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)CCO2 ZINC001246500123 1037444049 /nfs/dbraw/zinc/44/40/49/1037444049.db2.gz OVPVYKGFBPQBQD-DUXKGJEZSA-N 2 2 398.478 3.827 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+]([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)C[C@H]3C2)cc1 ZINC001246710865 1037564822 /nfs/dbraw/zinc/56/48/22/1037564822.db2.gz URPJZCGGWJMGFG-VPBXCIAMSA-N 3 2 375.560 3.852 20 0 GHADLP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)CC[NH2+]1 ZINC001246757002 1037599868 /nfs/dbraw/zinc/59/98/68/1037599868.db2.gz YCSXIFFXFIEXCH-PLMTUMEDSA-N 2 2 375.582 3.734 20 0 GHADLP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)CC[NH2+]1 ZINC001246757002 1037599889 /nfs/dbraw/zinc/59/98/89/1037599889.db2.gz YCSXIFFXFIEXCH-PLMTUMEDSA-N 2 2 375.582 3.734 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H](N2CC[NH+](Cc3ccccc3F)CC2)CC[NH2+]1 ZINC001246789314 1037627812 /nfs/dbraw/zinc/62/78/12/1037627812.db2.gz XFGWCSKROOLBKH-OFNKIYASSA-N 2 2 385.502 3.884 20 0 GHADLP COc1cc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)ccc1Cl ZINC001246891824 1037705905 /nfs/dbraw/zinc/70/59/05/1037705905.db2.gz YMBRKWRODKRHQS-PZJWPPBQSA-N 2 2 385.939 3.964 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)nc1 ZINC001246973792 1037796895 /nfs/dbraw/zinc/79/68/95/1037796895.db2.gz OWADIDWUHSAVMW-SBHAEUEKSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)nc1 ZINC001246973792 1037796901 /nfs/dbraw/zinc/79/69/01/1037796901.db2.gz OWADIDWUHSAVMW-SBHAEUEKSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)CC[NH2+]1 ZINC001246984223 1037810323 /nfs/dbraw/zinc/81/03/23/1037810323.db2.gz DRXSUAIVCVUABT-YSIASYRMSA-N 2 2 381.486 3.733 20 0 GHADLP Brc1ccc(C2CCC([N@@H+]3CC[C@]4(C3)C[NH2+]CCO4)CC2)cc1 ZINC001246990108 1037814858 /nfs/dbraw/zinc/81/48/58/1037814858.db2.gz VBBPHUDOGYRZEX-NKELODKYSA-N 2 2 379.342 3.540 20 0 GHADLP Brc1ccc(C2CCC([N@H+]3CC[C@]4(C3)C[NH2+]CCO4)CC2)cc1 ZINC001246990108 1037814873 /nfs/dbraw/zinc/81/48/73/1037814873.db2.gz VBBPHUDOGYRZEX-NKELODKYSA-N 2 2 379.342 3.540 20 0 GHADLP Clc1cc(-c2noc([C@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)cc2ccoc21 ZINC001247125903 1037936003 /nfs/dbraw/zinc/93/60/03/1037936003.db2.gz JQQWHZBWBZZFQT-CQSZACIVSA-N 2 2 395.850 3.751 20 0 GHADLP CCc1csc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001232469523 1038254270 /nfs/dbraw/zinc/25/42/70/1038254270.db2.gz JWWPSRHCHIHQDD-UHFFFAOYSA-N 2 2 377.579 3.634 20 0 GHADLP CCc1csc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001232469523 1038254285 /nfs/dbraw/zinc/25/42/85/1038254285.db2.gz JWWPSRHCHIHQDD-UHFFFAOYSA-N 2 2 377.579 3.634 20 0 GHADLP FC(F)(F)c1cc(Cl)ccc1-c1noc([C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001247860031 1038430755 /nfs/dbraw/zinc/43/07/55/1038430755.db2.gz KZQUBMSLFQSIBC-CYBMUJFWSA-N 2 2 386.805 3.956 20 0 GHADLP COc1ccc(-c2ccc(-c3noc([C@@H]4CCC5(CC[NH2+]CC5)[NH2+]4)n3)cc2)cc1 ZINC001247867665 1038437309 /nfs/dbraw/zinc/43/73/09/1038437309.db2.gz IOIWFLXRFNXYHE-FQEVSTJZSA-N 2 2 390.487 3.959 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC001252758222 1039143330 /nfs/dbraw/zinc/14/33/30/1039143330.db2.gz LJFYEWANVLYFHA-PZJWPPBQSA-N 2 2 384.520 3.581 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC001252758222 1039143339 /nfs/dbraw/zinc/14/33/39/1039143339.db2.gz LJFYEWANVLYFHA-PZJWPPBQSA-N 2 2 384.520 3.581 20 0 GHADLP CSc1cccc(Cl)c1C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001233352283 1039167169 /nfs/dbraw/zinc/16/71/69/1039167169.db2.gz YDLRGCQFQIZOEN-IAGOWNOFSA-N 2 2 390.984 3.749 20 0 GHADLP CSc1cccc(Cl)c1C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001233352283 1039167183 /nfs/dbraw/zinc/16/71/83/1039167183.db2.gz YDLRGCQFQIZOEN-IAGOWNOFSA-N 2 2 390.984 3.749 20 0 GHADLP O[C@H](C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)c1ccc(F)cc1 ZINC001252846070 1039206148 /nfs/dbraw/zinc/20/61/48/1039206148.db2.gz GHLSEQGLBYCOBS-OAQYLSRUSA-N 2 2 385.870 3.883 20 0 GHADLP C[NH+]1CC(C[NH2+]C[C@H](O)c2cc(Cl)cc3c2-c2ccc(Cl)cc2C3)C1 ZINC001253086477 1039414927 /nfs/dbraw/zinc/41/49/27/1039414927.db2.gz GDVAVDQFIFNGKT-IBGZPJMESA-N 2 2 377.315 3.749 20 0 GHADLP O[C@@H](C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccc(F)c(F)c1 ZINC001253360771 1039571839 /nfs/dbraw/zinc/57/18/39/1039571839.db2.gz KUYQLSPNQPIQFQ-GOTSBHOMSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@@H](C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccc(F)c(F)c1 ZINC001253360771 1039571859 /nfs/dbraw/zinc/57/18/59/1039571859.db2.gz KUYQLSPNQPIQFQ-GOTSBHOMSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@@H](C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(F)c(F)c1 ZINC001253360771 1039571868 /nfs/dbraw/zinc/57/18/68/1039571868.db2.gz KUYQLSPNQPIQFQ-GOTSBHOMSA-N 2 2 386.486 3.986 20 0 GHADLP O[C@@H](C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccc(F)c(F)c1 ZINC001253360771 1039571880 /nfs/dbraw/zinc/57/18/80/1039571880.db2.gz KUYQLSPNQPIQFQ-GOTSBHOMSA-N 2 2 386.486 3.986 20 0 GHADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC001253407172 1039603416 /nfs/dbraw/zinc/60/34/16/1039603416.db2.gz GGXPFMDLLAXFNW-RBUKOAKNSA-N 2 2 391.353 3.877 20 0 GHADLP CCOC(=O)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)C[C@H]2CCCC[C@@H]12 ZINC001234043656 1039779728 /nfs/dbraw/zinc/77/97/28/1039779728.db2.gz PKTDCIWWVYJLLJ-AQNXPRMDSA-N 2 2 397.519 3.682 20 0 GHADLP CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)C[C@H]2CCCC[C@@H]12 ZINC001234043656 1039779749 /nfs/dbraw/zinc/77/97/49/1039779749.db2.gz PKTDCIWWVYJLLJ-AQNXPRMDSA-N 2 2 397.519 3.682 20 0 GHADLP CCNc1cc(CNC(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001254123857 1039998975 /nfs/dbraw/zinc/99/89/75/1039998975.db2.gz JRYKDQFPTRQZAL-NRFANRHFSA-N 2 2 395.551 3.757 20 0 GHADLP CCNc1cc(CNC(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001254123857 1039998978 /nfs/dbraw/zinc/99/89/78/1039998978.db2.gz JRYKDQFPTRQZAL-NRFANRHFSA-N 2 2 395.551 3.757 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001254293598 1040144117 /nfs/dbraw/zinc/14/41/17/1040144117.db2.gz ZCCFUAMVYMOTEV-IBGZPJMESA-N 2 2 388.556 3.677 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+]C2CCc3ccccc3CC2)cs1 ZINC001254450814 1040239277 /nfs/dbraw/zinc/23/92/77/1040239277.db2.gz CCTQOGUTBZWNCG-UHFFFAOYSA-N 2 2 375.607 3.975 20 0 GHADLP C[N@@H+]1CCC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2Cc2ccccc2)CC1 ZINC001254525242 1040298408 /nfs/dbraw/zinc/29/84/08/1040298408.db2.gz HRQMJOMNXYYUSC-RTWAWAEBSA-N 2 2 387.568 3.635 20 0 GHADLP C[N@H+]1CCC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2Cc2ccccc2)CC1 ZINC001254525242 1040298421 /nfs/dbraw/zinc/29/84/21/1040298421.db2.gz HRQMJOMNXYYUSC-RTWAWAEBSA-N 2 2 387.568 3.635 20 0 GHADLP C[NH+]1CCC[C@@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2Cc2ccccc2)CC1 ZINC001254525242 1040298436 /nfs/dbraw/zinc/29/84/36/1040298436.db2.gz HRQMJOMNXYYUSC-RTWAWAEBSA-N 2 2 387.568 3.635 20 0 GHADLP C[NH+]1CCC[C@@H]([N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2Cc2ccccc2)CC1 ZINC001254525242 1040298446 /nfs/dbraw/zinc/29/84/46/1040298446.db2.gz HRQMJOMNXYYUSC-RTWAWAEBSA-N 2 2 387.568 3.635 20 0 GHADLP CCOC(OCC)c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001234868837 1040381485 /nfs/dbraw/zinc/38/14/85/1040381485.db2.gz HXXKZLYVXVEGQR-ZRZAMGCNSA-N 2 2 395.547 3.717 20 0 GHADLP CCOC(OCC)c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001234868837 1040381493 /nfs/dbraw/zinc/38/14/93/1040381493.db2.gz HXXKZLYVXVEGQR-ZRZAMGCNSA-N 2 2 395.547 3.717 20 0 GHADLP CCOC(OCC)c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001234868837 1040381502 /nfs/dbraw/zinc/38/15/02/1040381502.db2.gz HXXKZLYVXVEGQR-ZRZAMGCNSA-N 2 2 395.547 3.717 20 0 GHADLP CCOC(OCC)c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001234868837 1040381512 /nfs/dbraw/zinc/38/15/12/1040381512.db2.gz HXXKZLYVXVEGQR-ZRZAMGCNSA-N 2 2 395.547 3.717 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c(-c4ccccc4F)c3)CC2)C1 ZINC001235045245 1040538764 /nfs/dbraw/zinc/53/87/64/1040538764.db2.gz BSPXFXRREHLAGF-GOSISDBHSA-N 2 2 399.510 3.670 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c(-c4ccccc4F)c3)CC2)C1 ZINC001235045245 1040538785 /nfs/dbraw/zinc/53/87/85/1040538785.db2.gz BSPXFXRREHLAGF-GOSISDBHSA-N 2 2 399.510 3.670 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@@H+]2[C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254854578 1040598615 /nfs/dbraw/zinc/59/86/15/1040598615.db2.gz FUGCVXKALOIWBA-DENIHFKCSA-N 2 2 377.573 3.726 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@H+]2[C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254854578 1040598642 /nfs/dbraw/zinc/59/86/42/1040598642.db2.gz FUGCVXKALOIWBA-DENIHFKCSA-N 2 2 377.573 3.726 20 0 GHADLP FC1(F)CC[N@@H+]([C@H]2CC3CC[NH+](CC3)C2)C[C@@]12CCN(c1ccccc1)C2 ZINC001254856521 1040601333 /nfs/dbraw/zinc/60/13/33/1040601333.db2.gz IAOTUGGYVDFUSG-SFTDATJTSA-N 2 2 375.507 3.708 20 0 GHADLP FC1(F)CC[N@H+]([C@H]2CC3CC[NH+](CC3)C2)C[C@@]12CCN(c1ccccc1)C2 ZINC001254856521 1040601338 /nfs/dbraw/zinc/60/13/38/1040601338.db2.gz IAOTUGGYVDFUSG-SFTDATJTSA-N 2 2 375.507 3.708 20 0 GHADLP FC(F)(F)c1csc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)n1 ZINC001278821886 1040631646 /nfs/dbraw/zinc/63/16/46/1040631646.db2.gz APAPIDDXKJQMHC-CVEARBPZSA-N 2 2 385.459 3.610 20 0 GHADLP FC(F)(F)Oc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC001235270974 1040748402 /nfs/dbraw/zinc/74/84/02/1040748402.db2.gz OEFUEIPFLFDFIN-NVXWUHKLSA-N 2 2 377.410 3.831 20 0 GHADLP FC(F)(F)Oc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC001235270974 1040748416 /nfs/dbraw/zinc/74/84/16/1040748416.db2.gz OEFUEIPFLFDFIN-NVXWUHKLSA-N 2 2 377.410 3.831 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001255128093 1040820345 /nfs/dbraw/zinc/82/03/45/1040820345.db2.gz KSAGGGUOSORARW-MZADTFQBSA-N 2 2 379.504 3.544 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001255128093 1040820361 /nfs/dbraw/zinc/82/03/61/1040820361.db2.gz KSAGGGUOSORARW-MZADTFQBSA-N 2 2 379.504 3.544 20 0 GHADLP Cc1cncc(Br)c1C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235358000 1040841276 /nfs/dbraw/zinc/84/12/76/1040841276.db2.gz JBQXATAQYOUYRB-UYAOXDASSA-N 2 2 386.337 3.732 20 0 GHADLP Cc1cncc(Br)c1C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235358000 1040841284 /nfs/dbraw/zinc/84/12/84/1040841284.db2.gz JBQXATAQYOUYRB-UYAOXDASSA-N 2 2 386.337 3.732 20 0 GHADLP COc1c(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cccc1OCc1ccccc1 ZINC001235401834 1040915437 /nfs/dbraw/zinc/91/54/37/1040915437.db2.gz UGYAMOQBGKUWRX-GMAHTHKFSA-N 2 2 384.495 3.798 20 0 GHADLP COc1c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cccc1OCc1ccccc1 ZINC001235401834 1040915443 /nfs/dbraw/zinc/91/54/43/1040915443.db2.gz UGYAMOQBGKUWRX-GMAHTHKFSA-N 2 2 384.495 3.798 20 0 GHADLP CCOC(=O)C1CCC([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001255265929 1040933633 /nfs/dbraw/zinc/93/36/33/1040933633.db2.gz AYZOXGQPEXSYFB-UHFFFAOYSA-N 2 2 376.516 3.844 20 0 GHADLP CCOC(=O)C1CCC([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001255265929 1040933634 /nfs/dbraw/zinc/93/36/34/1040933634.db2.gz AYZOXGQPEXSYFB-UHFFFAOYSA-N 2 2 376.516 3.844 20 0 GHADLP CCOC(=O)C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cccnc1 ZINC001255394568 1040982474 /nfs/dbraw/zinc/98/24/74/1040982474.db2.gz VXZVLUSVFIRNSP-YADHBBJMSA-N 2 2 381.520 3.720 20 0 GHADLP CCOC(=O)C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cccnc1 ZINC001255394568 1040982476 /nfs/dbraw/zinc/98/24/76/1040982476.db2.gz VXZVLUSVFIRNSP-YADHBBJMSA-N 2 2 381.520 3.720 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)CC2)cc1 ZINC001255402050 1040988700 /nfs/dbraw/zinc/98/87/00/1040988700.db2.gz LUOMIAZNFUIUPG-CJRSTVEYSA-N 2 2 384.564 3.700 20 0 GHADLP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)CC2)cc1 ZINC001255402050 1040988701 /nfs/dbraw/zinc/98/87/01/1040988701.db2.gz LUOMIAZNFUIUPG-CJRSTVEYSA-N 2 2 384.564 3.700 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)CC2)cc1 ZINC001255402050 1040988702 /nfs/dbraw/zinc/98/87/02/1040988702.db2.gz LUOMIAZNFUIUPG-CJRSTVEYSA-N 2 2 384.564 3.700 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)CC2)cc1 ZINC001255402050 1040988704 /nfs/dbraw/zinc/98/87/04/1040988704.db2.gz LUOMIAZNFUIUPG-CJRSTVEYSA-N 2 2 384.564 3.700 20 0 GHADLP Clc1ccc(N2CC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255408435 1040995085 /nfs/dbraw/zinc/99/50/85/1040995085.db2.gz MGXBPLQBMSMKDW-NRFANRHFSA-N 2 2 384.955 3.912 20 0 GHADLP Clc1ccc(N2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255408435 1040995086 /nfs/dbraw/zinc/99/50/86/1040995086.db2.gz MGXBPLQBMSMKDW-NRFANRHFSA-N 2 2 384.955 3.912 20 0 GHADLP c1cc(-c2ccc3c(C4C[NH+](Cc5cc6c(s5)CC[NH2+]C6)C4)[nH+]cn3c2)co1 ZINC001235657356 1041105813 /nfs/dbraw/zinc/10/58/13/1041105813.db2.gz LAIXFYQPMVFVAH-UHFFFAOYSA-N 3 2 390.512 3.901 20 0 GHADLP C[NH2+]CC1CC[NH+](Cc2cc(F)c(Br)cc2Br)CC1 ZINC001235680814 1041142911 /nfs/dbraw/zinc/14/29/11/1041142911.db2.gz XQFBOIPUVDJJGZ-UHFFFAOYSA-N 2 2 394.126 3.782 20 0 GHADLP FC(F)(F)c1ccc(Cl)c(CN2CC[NH+](C3CC[NH2+]CC3)CC2)c1Cl ZINC001235700018 1041178695 /nfs/dbraw/zinc/17/86/95/1041178695.db2.gz WGVNPYHZWQJPHH-UHFFFAOYSA-N 2 2 396.284 3.882 20 0 GHADLP C[C@H](CC(F)(F)F)[NH2+]C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001255642281 1041185182 /nfs/dbraw/zinc/18/51/82/1041185182.db2.gz WJROAGMGWZNSQF-XLIONFOSSA-N 2 2 380.454 3.980 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)CSc1ccc(F)cc1)C2 ZINC001255741857 1041261553 /nfs/dbraw/zinc/26/15/53/1041261553.db2.gz PTFFRIDCVKHVSV-MRXNPFEDSA-N 2 2 376.545 3.859 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)CSc1ccc(F)cc1)C2 ZINC001255741857 1041261568 /nfs/dbraw/zinc/26/15/68/1041261568.db2.gz PTFFRIDCVKHVSV-MRXNPFEDSA-N 2 2 376.545 3.859 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@H](C)CSc1ccc(F)cc1)C2 ZINC001255741857 1041261586 /nfs/dbraw/zinc/26/15/86/1041261586.db2.gz PTFFRIDCVKHVSV-MRXNPFEDSA-N 2 2 376.545 3.859 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H](C)CSc1ccc(F)cc1)C2 ZINC001255741857 1041261599 /nfs/dbraw/zinc/26/15/99/1041261599.db2.gz PTFFRIDCVKHVSV-MRXNPFEDSA-N 2 2 376.545 3.859 20 0 GHADLP CCCCc1[nH]cc(CN2CC[NH2+][C@@H](c3cccc(Br)c3)C2)[nH+]1 ZINC001235802131 1041310098 /nfs/dbraw/zinc/31/00/98/1041310098.db2.gz XOELADVFHAXWQY-QGZVFWFLSA-N 2 2 377.330 3.661 20 0 GHADLP COCCC[N@H+](Cc1ccc2occ(Br)c2c1)[C@H]1CCC[NH2+]C1 ZINC001235812013 1041324241 /nfs/dbraw/zinc/32/42/41/1041324241.db2.gz XILZMNMHOWJIFD-HNNXBMFYSA-N 2 2 381.314 3.786 20 0 GHADLP COCCC[N@@H+](Cc1ccc2occ(Br)c2c1)[C@H]1CCC[NH2+]C1 ZINC001235812013 1041324256 /nfs/dbraw/zinc/32/42/56/1041324256.db2.gz XILZMNMHOWJIFD-HNNXBMFYSA-N 2 2 381.314 3.786 20 0 GHADLP CC1([NH+]2CCN(Cc3cc(Cl)cc(C(F)(F)F)c3F)CC2)CC[NH2+]CC1 ZINC001235822843 1041339922 /nfs/dbraw/zinc/33/99/22/1041339922.db2.gz URZCNAQCUAJZBJ-UHFFFAOYSA-N 2 2 393.856 3.758 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(C[C@H](OCc3csc(C)n3)CO2)CC1 ZINC001255961249 1041440623 /nfs/dbraw/zinc/44/06/23/1041440623.db2.gz LPOKOPIXDYAKRD-PXNSSMCTSA-N 2 2 395.613 3.712 20 0 GHADLP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(Br)cc1OC(F)(F)F)C2 ZINC001235959750 1041466567 /nfs/dbraw/zinc/46/65/67/1041466567.db2.gz NOTHTPZLAVNIBN-GNXNZQSNSA-N 2 2 379.220 3.517 20 0 GHADLP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(Br)cc1OC(F)(F)F)C2 ZINC001235959750 1041466582 /nfs/dbraw/zinc/46/65/82/1041466582.db2.gz NOTHTPZLAVNIBN-GNXNZQSNSA-N 2 2 379.220 3.517 20 0 GHADLP COc1cccc(-c2csc(C[N@@H+]3CCN(c4cc[nH+]cc4)[C@@H](C)C3)n2)c1 ZINC001462545673 1070348253 /nfs/dbraw/zinc/34/82/53/1070348253.db2.gz AUOUUKKPJUDFLL-INIZCTEOSA-N 2 2 380.517 3.924 20 0 GHADLP COc1cccc(-c2csc(C[N@H+]3CCN(c4cc[nH+]cc4)[C@@H](C)C3)n2)c1 ZINC001462545673 1070348270 /nfs/dbraw/zinc/34/82/70/1070348270.db2.gz AUOUUKKPJUDFLL-INIZCTEOSA-N 2 2 380.517 3.924 20 0 GHADLP c1ccc(COc2ccnc(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c2)cc1 ZINC001236008265 1041500322 /nfs/dbraw/zinc/50/03/22/1041500322.db2.gz DLKWOEHFRNZPGV-RDGATRHJSA-N 2 2 385.511 3.634 20 0 GHADLP c1ccc(COc2ccnc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c2)cc1 ZINC001236008265 1041500338 /nfs/dbraw/zinc/50/03/38/1041500338.db2.gz DLKWOEHFRNZPGV-RDGATRHJSA-N 2 2 385.511 3.634 20 0 GHADLP FC1(F)CC[N@@H+](C2CC[NH+](C3CC3)CC2)C[C@@]12CCN(c1ccccc1)C2 ZINC001256075701 1041509912 /nfs/dbraw/zinc/50/99/12/1041509912.db2.gz AWUCTKRNAYWPIV-NRFANRHFSA-N 2 2 375.507 3.851 20 0 GHADLP FC1(F)CC[N@H+](C2CC[NH+](C3CC3)CC2)C[C@@]12CCN(c1ccccc1)C2 ZINC001256075701 1041509918 /nfs/dbraw/zinc/50/99/18/1041509918.db2.gz AWUCTKRNAYWPIV-NRFANRHFSA-N 2 2 375.507 3.851 20 0 GHADLP Cc1cc(Br)ccc1N1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256082145 1041514291 /nfs/dbraw/zinc/51/42/91/1041514291.db2.gz UFOJVDPWBQWWJK-UHFFFAOYSA-N 2 2 378.358 3.506 20 0 GHADLP CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@H+](C)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236089528 1041527795 /nfs/dbraw/zinc/52/77/95/1041527795.db2.gz AOMRECIDLPFFDU-UHOSZYNNSA-N 2 2 382.495 3.567 20 0 GHADLP CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@@H+](C)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236089528 1041527816 /nfs/dbraw/zinc/52/78/16/1041527816.db2.gz AOMRECIDLPFFDU-UHOSZYNNSA-N 2 2 382.495 3.567 20 0 GHADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Br)c1)C1CC[NH2+]CC1 ZINC001236184985 1041605851 /nfs/dbraw/zinc/60/58/51/1041605851.db2.gz QDFPBHWFQBFCMO-UHFFFAOYSA-N 3 2 377.330 3.599 20 0 GHADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Br)c1)C1CC[NH2+]CC1 ZINC001236184985 1041605863 /nfs/dbraw/zinc/60/58/63/1041605863.db2.gz QDFPBHWFQBFCMO-UHFFFAOYSA-N 3 2 377.330 3.599 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(Br)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256201846 1041646024 /nfs/dbraw/zinc/64/60/24/1041646024.db2.gz QVTMLMQRXGLKOW-IYARVYRRSA-N 3 2 380.374 3.615 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(Br)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256201846 1041646035 /nfs/dbraw/zinc/64/60/35/1041646035.db2.gz QVTMLMQRXGLKOW-IYARVYRRSA-N 3 2 380.374 3.615 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236273780 1041649030 /nfs/dbraw/zinc/64/90/30/1041649030.db2.gz IMLFLXJGPYFMFG-PKTZIBPZSA-N 2 2 378.516 3.991 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236273780 1041649032 /nfs/dbraw/zinc/64/90/32/1041649032.db2.gz IMLFLXJGPYFMFG-PKTZIBPZSA-N 2 2 378.516 3.991 20 0 GHADLP [NH3+]C1CC[NH+](Cc2ccc(-c3cccc(Cl)c3C[NH+]3CCOCC3)cc2)CC1 ZINC001236277087 1041653565 /nfs/dbraw/zinc/65/35/65/1041653565.db2.gz KYUNXYYLVCOUGB-UHFFFAOYSA-N 3 2 399.966 3.762 20 0 GHADLP COCC[N@H+](Cc1ccc(Br)c2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001236333872 1041675719 /nfs/dbraw/zinc/67/57/19/1041675719.db2.gz ZFWDLVHNZMDAAX-MRXNPFEDSA-N 2 2 377.326 3.803 20 0 GHADLP COCC[N@@H+](Cc1ccc(Br)c2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001236333872 1041675724 /nfs/dbraw/zinc/67/57/24/1041675724.db2.gz ZFWDLVHNZMDAAX-MRXNPFEDSA-N 2 2 377.326 3.803 20 0 GHADLP COc1ccc(C[N@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)cn1 ZINC001236377462 1041688704 /nfs/dbraw/zinc/68/87/04/1041688704.db2.gz JTOYMYDXOWRIBH-UHFFFAOYSA-N 2 2 390.325 3.607 20 0 GHADLP COc1ccc(C[N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)cn1 ZINC001236377462 1041688707 /nfs/dbraw/zinc/68/87/07/1041688707.db2.gz JTOYMYDXOWRIBH-UHFFFAOYSA-N 2 2 390.325 3.607 20 0 GHADLP Cc1cc(F)cc(C[N@H+](Cc2ccc(N3CCCC3)nc2)C2CC[NH2+]CC2)c1 ZINC001236481571 1041734317 /nfs/dbraw/zinc/73/43/17/1041734317.db2.gz XGNNFOQMDDLUIO-UHFFFAOYSA-N 2 2 382.527 3.884 20 0 GHADLP Cc1cc(F)cc(C[N@@H+](Cc2ccc(N3CCCC3)nc2)C2CC[NH2+]CC2)c1 ZINC001236481571 1041734322 /nfs/dbraw/zinc/73/43/22/1041734322.db2.gz XGNNFOQMDDLUIO-UHFFFAOYSA-N 2 2 382.527 3.884 20 0 GHADLP CC(C)(C)OC(=O)NCCCC[N@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236502705 1041742903 /nfs/dbraw/zinc/74/29/03/1041742903.db2.gz WYEJULZODGXAFC-UHFFFAOYSA-N 2 2 397.510 3.824 20 0 GHADLP CC(C)(C)OC(=O)NCCCC[N@@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236502705 1041742907 /nfs/dbraw/zinc/74/29/07/1041742907.db2.gz WYEJULZODGXAFC-UHFFFAOYSA-N 2 2 397.510 3.824 20 0 GHADLP Fc1ccc(C[N@H+](Cc2c[nH]c(Br)c2)C2CC[NH2+]CC2)cc1F ZINC001236505487 1041744289 /nfs/dbraw/zinc/74/42/89/1041744289.db2.gz UCXMDGHZTVRVNN-UHFFFAOYSA-N 2 2 384.268 3.810 20 0 GHADLP Fc1ccc(C[N@@H+](Cc2c[nH]c(Br)c2)C2CC[NH2+]CC2)cc1F ZINC001236505487 1041744297 /nfs/dbraw/zinc/74/42/97/1041744297.db2.gz UCXMDGHZTVRVNN-UHFFFAOYSA-N 2 2 384.268 3.810 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CCN1C(=O)OC(C)(C)C ZINC001256464285 1041745168 /nfs/dbraw/zinc/74/51/68/1041745168.db2.gz XQVNRNVOZWYSMB-IAGOWNOFSA-N 2 2 391.531 3.864 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256468861 1041747973 /nfs/dbraw/zinc/74/79/73/1041747973.db2.gz BMOREDZIJIUXDE-IRXDYDNUSA-N 2 2 375.513 3.713 20 0 GHADLP FC(F)(F)c1cccc(-n2cc(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CC3)cn2)c1 ZINC001236600399 1041774599 /nfs/dbraw/zinc/77/45/99/1041774599.db2.gz HXRZPBMONIUNQN-HNNXBMFYSA-N 2 2 378.442 3.855 20 0 GHADLP FC(F)(F)c1cccc(-n2cc(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CC3)cn2)c1 ZINC001236600399 1041774608 /nfs/dbraw/zinc/77/46/08/1041774608.db2.gz HXRZPBMONIUNQN-HNNXBMFYSA-N 2 2 378.442 3.855 20 0 GHADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](Cc2cccc(-n3cncn3)c2)CC1 ZINC001236889494 1041941271 /nfs/dbraw/zinc/94/12/71/1041941271.db2.gz LSOMNXRZCKXXES-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](Cc2cccc(-n3cncn3)c2)CC1 ZINC001236889494 1041941273 /nfs/dbraw/zinc/94/12/73/1041941273.db2.gz LSOMNXRZCKXXES-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2cccc(-n3cncn3)c2)CC1 ZINC001236890779 1041942004 /nfs/dbraw/zinc/94/20/04/1041942004.db2.gz UHKNHGSSSIMOQD-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2cccc(-n3cncn3)c2)CC1 ZINC001236890779 1041942007 /nfs/dbraw/zinc/94/20/07/1041942007.db2.gz UHKNHGSSSIMOQD-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)CC[C@H]21 ZINC001236916470 1041956503 /nfs/dbraw/zinc/95/65/03/1041956503.db2.gz DOMNOMCXRXLQCJ-FXAWDEMLSA-N 2 2 386.927 3.605 20 0 GHADLP CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)CC[C@H]21 ZINC001236916470 1041956510 /nfs/dbraw/zinc/95/65/10/1041956510.db2.gz DOMNOMCXRXLQCJ-FXAWDEMLSA-N 2 2 386.927 3.605 20 0 GHADLP COc1ccc(O[C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)nc1 ZINC001236930120 1041962757 /nfs/dbraw/zinc/96/27/57/1041962757.db2.gz XBBHYRGRLJYZKU-SFHVURJKSA-N 2 2 384.867 3.583 20 0 GHADLP COc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)nc1 ZINC001236930120 1041962760 /nfs/dbraw/zinc/96/27/60/1041962760.db2.gz XBBHYRGRLJYZKU-SFHVURJKSA-N 2 2 384.867 3.583 20 0 GHADLP CC(C)[N@H+](CC(=O)c1ccccc1)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236971320 1041973573 /nfs/dbraw/zinc/97/35/73/1041973573.db2.gz DXOJWAUPOIOCIZ-UHFFFAOYSA-N 2 2 383.511 3.671 20 0 GHADLP CC(C)[N@@H+](CC(=O)c1ccccc1)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236971320 1041973574 /nfs/dbraw/zinc/97/35/74/1041973574.db2.gz DXOJWAUPOIOCIZ-UHFFFAOYSA-N 2 2 383.511 3.671 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(O)cc4ccccc43)CC2)C1 ZINC001237069912 1042020127 /nfs/dbraw/zinc/02/01/27/1042020127.db2.gz YNBXTZFQQUVERA-IBGZPJMESA-N 2 2 396.531 3.785 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc(O)cc4ccccc43)CC2)C1 ZINC001237069912 1042020133 /nfs/dbraw/zinc/02/01/33/1042020133.db2.gz YNBXTZFQQUVERA-IBGZPJMESA-N 2 2 396.531 3.785 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3sc(=O)[nH]c3Cl)C[C@@H]21 ZINC001237151200 1042065590 /nfs/dbraw/zinc/06/55/90/1042065590.db2.gz UUSQOMFYTHSHJR-CWRNSKLLSA-N 2 2 392.956 3.630 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3sc(=O)[nH]c3Cl)C[C@@H]21 ZINC001237151200 1042065591 /nfs/dbraw/zinc/06/55/91/1042065591.db2.gz UUSQOMFYTHSHJR-CWRNSKLLSA-N 2 2 392.956 3.630 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3sc(=O)[nH]c3Cl)C[C@@H]21 ZINC001237151200 1042065596 /nfs/dbraw/zinc/06/55/96/1042065596.db2.gz UUSQOMFYTHSHJR-CWRNSKLLSA-N 2 2 392.956 3.630 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3sc(=O)[nH]c3Cl)C[C@@H]21 ZINC001237151200 1042065599 /nfs/dbraw/zinc/06/55/99/1042065599.db2.gz UUSQOMFYTHSHJR-CWRNSKLLSA-N 2 2 392.956 3.630 20 0 GHADLP COc1ccc2c(c1)n[nH]c2C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001237393581 1042187016 /nfs/dbraw/zinc/18/70/16/1042187016.db2.gz CYPSXIFYILONMC-PMACEKPBSA-N 2 2 390.531 3.916 20 0 GHADLP COc1ccc2c(c1)n[nH]c2C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001237393581 1042187018 /nfs/dbraw/zinc/18/70/18/1042187018.db2.gz CYPSXIFYILONMC-PMACEKPBSA-N 2 2 390.531 3.916 20 0 GHADLP COc1ccc2c(c1)n[nH]c2C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001237393581 1042187019 /nfs/dbraw/zinc/18/70/19/1042187019.db2.gz CYPSXIFYILONMC-PMACEKPBSA-N 2 2 390.531 3.916 20 0 GHADLP COc1ccc2c(c1)n[nH]c2C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001237393581 1042187024 /nfs/dbraw/zinc/18/70/24/1042187024.db2.gz CYPSXIFYILONMC-PMACEKPBSA-N 2 2 390.531 3.916 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc(OCc2ccccc2)c1OC ZINC001237413629 1042197855 /nfs/dbraw/zinc/19/78/55/1042197855.db2.gz IZLLPMAQEKKHGH-SFTDATJTSA-N 2 2 396.531 3.857 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc(OCc2ccccc2)c1OC ZINC001237413629 1042197857 /nfs/dbraw/zinc/19/78/57/1042197857.db2.gz IZLLPMAQEKKHGH-SFTDATJTSA-N 2 2 396.531 3.857 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc(F)c(C)n4)CC3)C2)cc1 ZINC001237815532 1042382674 /nfs/dbraw/zinc/38/26/74/1042382674.db2.gz GBFMLKZXTVZGCZ-UHFFFAOYSA-N 2 2 383.511 3.705 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(F)c(C)n4)CC3)C2)cc1 ZINC001237815532 1042382677 /nfs/dbraw/zinc/38/26/77/1042382677.db2.gz GBFMLKZXTVZGCZ-UHFFFAOYSA-N 2 2 383.511 3.705 20 0 GHADLP CCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1cccc3c[nH+]cn31)CC2 ZINC001238102537 1042492850 /nfs/dbraw/zinc/49/28/50/1042492850.db2.gz ASYXBCJXWJCKRQ-JOCHJYFZSA-N 2 2 388.515 3.705 20 0 GHADLP Clc1ccc2c(c1)[nH+]ccc2N1CCN(Cc2cccc3c[nH+]cn32)CC1 ZINC001238114317 1042495693 /nfs/dbraw/zinc/49/56/93/1042495693.db2.gz RXYHTIGOYYGMAQ-UHFFFAOYSA-N 2 2 377.879 3.858 20 0 GHADLP CC[NH+]1C[C@H]2C[NH+](Cc3cc(OC)c(OCc4ccccc4)c(OC)c3)C[C@@H]2C1 ZINC001238115350 1042496108 /nfs/dbraw/zinc/49/61/08/1042496108.db2.gz YBLSTQABAAJOJW-SFTDATJTSA-N 2 2 396.531 3.666 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)CC2)C1 ZINC001239461375 1042832665 /nfs/dbraw/zinc/83/26/65/1042832665.db2.gz QQSWTPYTGVQQNP-QGZVFWFLSA-N 2 2 396.560 3.673 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](C2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)CC2)C1 ZINC001239461375 1042832672 /nfs/dbraw/zinc/83/26/72/1042832672.db2.gz QQSWTPYTGVQQNP-QGZVFWFLSA-N 2 2 396.560 3.673 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[N@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256535857 1043476030 /nfs/dbraw/zinc/47/60/30/1043476030.db2.gz AZRUPUDFCCXIRG-JPYJTQIMSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256535857 1043476039 /nfs/dbraw/zinc/47/60/39/1043476039.db2.gz AZRUPUDFCCXIRG-JPYJTQIMSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256535857 1043476048 /nfs/dbraw/zinc/47/60/48/1043476048.db2.gz AZRUPUDFCCXIRG-JPYJTQIMSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256535857 1043476060 /nfs/dbraw/zinc/47/60/60/1043476060.db2.gz AZRUPUDFCCXIRG-JPYJTQIMSA-N 2 2 378.516 3.884 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256541240 1043491210 /nfs/dbraw/zinc/49/12/10/1043491210.db2.gz IMPCRDUQUXBUFO-CTNGQTDRSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256541240 1043491215 /nfs/dbraw/zinc/49/12/15/1043491215.db2.gz IMPCRDUQUXBUFO-CTNGQTDRSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC001256541240 1043491224 /nfs/dbraw/zinc/49/12/24/1043491224.db2.gz IMPCRDUQUXBUFO-CTNGQTDRSA-N 2 2 387.568 3.982 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC001256541240 1043491227 /nfs/dbraw/zinc/49/12/27/1043491227.db2.gz IMPCRDUQUXBUFO-CTNGQTDRSA-N 2 2 387.568 3.982 20 0 GHADLP COC[C@@H]1COCCC12CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256546434 1043507190 /nfs/dbraw/zinc/50/71/90/1043507190.db2.gz LOICNEDQBLVKGX-MDNUFGMLSA-N 2 2 386.580 3.805 20 0 GHADLP COC[C@@H]1COCCC12CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256546434 1043507202 /nfs/dbraw/zinc/50/72/02/1043507202.db2.gz LOICNEDQBLVKGX-MDNUFGMLSA-N 2 2 386.580 3.805 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256556939 1043527439 /nfs/dbraw/zinc/52/74/39/1043527439.db2.gz JHPSJYXDMAMDGD-BAGYTPMASA-N 2 2 380.536 3.681 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256556939 1043527446 /nfs/dbraw/zinc/52/74/46/1043527446.db2.gz JHPSJYXDMAMDGD-BAGYTPMASA-N 2 2 380.536 3.681 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256556939 1043527451 /nfs/dbraw/zinc/52/74/51/1043527451.db2.gz JHPSJYXDMAMDGD-BAGYTPMASA-N 2 2 380.536 3.681 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256556939 1043527461 /nfs/dbraw/zinc/52/74/61/1043527461.db2.gz JHPSJYXDMAMDGD-BAGYTPMASA-N 2 2 380.536 3.681 20 0 GHADLP COc1cccnc1O[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256557614 1043530029 /nfs/dbraw/zinc/53/00/29/1043530029.db2.gz NSHAGYUXMBBHFY-HLAWJBBLSA-N 2 2 381.520 3.596 20 0 GHADLP COc1cccnc1O[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256557614 1043530035 /nfs/dbraw/zinc/53/00/35/1043530035.db2.gz NSHAGYUXMBBHFY-HLAWJBBLSA-N 2 2 381.520 3.596 20 0 GHADLP COc1cccnc1O[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256557614 1043530043 /nfs/dbraw/zinc/53/00/43/1043530043.db2.gz NSHAGYUXMBBHFY-HLAWJBBLSA-N 2 2 381.520 3.596 20 0 GHADLP COc1cccnc1O[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256557614 1043530051 /nfs/dbraw/zinc/53/00/51/1043530051.db2.gz NSHAGYUXMBBHFY-HLAWJBBLSA-N 2 2 381.520 3.596 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)CC1 ZINC001256571689 1043545016 /nfs/dbraw/zinc/54/50/16/1043545016.db2.gz DAPLCVYPOQQOPZ-UHFFFAOYSA-N 3 2 391.625 3.678 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)CC1 ZINC001256571689 1043545029 /nfs/dbraw/zinc/54/50/29/1043545029.db2.gz DAPLCVYPOQQOPZ-UHFFFAOYSA-N 3 2 391.625 3.678 20 0 GHADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256596474 1043562008 /nfs/dbraw/zinc/56/20/08/1043562008.db2.gz LGCSDIVWHXNZRD-UHFFFAOYSA-N 2 2 396.554 3.782 20 0 GHADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256596474 1043562019 /nfs/dbraw/zinc/56/20/19/1043562019.db2.gz LGCSDIVWHXNZRD-UHFFFAOYSA-N 2 2 396.554 3.782 20 0 GHADLP c1ccc(CN2CC[C@@H]3C[N@@H+](C4CC[NH+](Cc5ccccc5)CC4)C[C@H]32)cc1 ZINC001256611915 1043576054 /nfs/dbraw/zinc/57/60/54/1043576054.db2.gz ZTFFHHFILCONDD-ILBGXUMGSA-N 2 2 375.560 3.857 20 0 GHADLP c1ccc(CN2CC[C@@H]3C[N@H+](C4CC[NH+](Cc5ccccc5)CC4)C[C@H]32)cc1 ZINC001256611915 1043576060 /nfs/dbraw/zinc/57/60/60/1043576060.db2.gz ZTFFHHFILCONDD-ILBGXUMGSA-N 2 2 375.560 3.857 20 0 GHADLP c1ccc(CN2C[C@H]3CC[N@@H+](C4CC[NH+](Cc5ccccc5)CC4)[C@@H]3C2)cc1 ZINC001256613868 1043578998 /nfs/dbraw/zinc/57/89/98/1043578998.db2.gz XIZVDOFWDLAFEV-ILBGXUMGSA-N 2 2 375.560 3.857 20 0 GHADLP c1ccc(CN2C[C@H]3CC[N@H+](C4CC[NH+](Cc5ccccc5)CC4)[C@@H]3C2)cc1 ZINC001256613868 1043579004 /nfs/dbraw/zinc/57/90/04/1043579004.db2.gz XIZVDOFWDLAFEV-ILBGXUMGSA-N 2 2 375.560 3.857 20 0 GHADLP CC[C@@H]1C[C@@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001257108462 1043852986 /nfs/dbraw/zinc/85/29/86/1043852986.db2.gz IRWWVEXFQKCHHV-LEWJYISDSA-N 2 2 387.568 3.886 20 0 GHADLP CC[C@@H]1C[C@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001257108463 1043853958 /nfs/dbraw/zinc/85/39/58/1043853958.db2.gz IRWWVEXFQKCHHV-NHCUHLMSSA-N 2 2 387.568 3.886 20 0 GHADLP CC(C)[NH+]1CCC([N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001257223125 1043941495 /nfs/dbraw/zinc/94/14/95/1043941495.db2.gz KHGCZFQDNMBOMM-UHFFFAOYSA-N 2 2 375.557 3.886 20 0 GHADLP CC(C)[NH+]1CCC([N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001257223125 1043941501 /nfs/dbraw/zinc/94/15/01/1043941501.db2.gz KHGCZFQDNMBOMM-UHFFFAOYSA-N 2 2 375.557 3.886 20 0 GHADLP COc1ccc(C[C@@H](C)[N@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001257268553 1043949441 /nfs/dbraw/zinc/94/94/41/1043949441.db2.gz NFBZFOFPBZFATH-HYBUGGRVSA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC001257268553 1043949446 /nfs/dbraw/zinc/94/94/46/1043949446.db2.gz NFBZFOFPBZFATH-HYBUGGRVSA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccc(C[C@@H](C)[NH+](C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001257268553 1043949450 /nfs/dbraw/zinc/94/94/50/1043949450.db2.gz NFBZFOFPBZFATH-HYBUGGRVSA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccc(C[C@@H](C)[NH+](C)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001257268553 1043949455 /nfs/dbraw/zinc/94/94/55/1043949455.db2.gz NFBZFOFPBZFATH-HYBUGGRVSA-N 2 2 382.548 3.849 20 0 GHADLP C(C1CCC1)[N@@H+]1CC[C@H]([NH2+]C2CCC(C3CCC4(CC3)OCCO4)CC2)C1 ZINC001257491559 1044018325 /nfs/dbraw/zinc/01/83/25/1044018325.db2.gz FOUYWCAGWIQAGX-VTLFHKLASA-N 2 2 376.585 3.943 20 0 GHADLP C(C1CCC1)[N@H+]1CC[C@H]([NH2+]C2CCC(C3CCC4(CC3)OCCO4)CC2)C1 ZINC001257491559 1044018332 /nfs/dbraw/zinc/01/83/32/1044018332.db2.gz FOUYWCAGWIQAGX-VTLFHKLASA-N 2 2 376.585 3.943 20 0 GHADLP Cc1cc(N2CC[NH+]([C@@H](C)Cc3ccc(Br)cc3)CC2)nc(C)[nH+]1 ZINC001257566308 1044051799 /nfs/dbraw/zinc/05/17/99/1044051799.db2.gz ZHNMREJNZNIKIZ-HNNXBMFYSA-N 2 2 389.341 3.609 20 0 GHADLP C[NH+]1CCC([N@H+](C2CCN(C(=O)OC(C)(C)C)CC2)[C@H]2CCCSC2)CC1 ZINC001257683397 1044114394 /nfs/dbraw/zinc/11/43/94/1044114394.db2.gz JUKPADAHULITHK-IBGZPJMESA-N 2 2 397.629 3.678 20 0 GHADLP C[NH+]1CCC([N@@H+](C2CCN(C(=O)OC(C)(C)C)CC2)[C@H]2CCCSC2)CC1 ZINC001257683397 1044114401 /nfs/dbraw/zinc/11/44/01/1044114401.db2.gz JUKPADAHULITHK-IBGZPJMESA-N 2 2 397.629 3.678 20 0 GHADLP CC(C)[N@H+](C1CC[NH+](C)CC1)C1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257763013 1044151489 /nfs/dbraw/zinc/15/14/89/1044151489.db2.gz KBICWOPWKZOWEC-UHFFFAOYSA-N 2 2 379.589 3.971 20 0 GHADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)C1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257763013 1044151491 /nfs/dbraw/zinc/15/14/91/1044151491.db2.gz KBICWOPWKZOWEC-UHFFFAOYSA-N 2 2 379.589 3.971 20 0 GHADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257788609 1044171723 /nfs/dbraw/zinc/17/17/23/1044171723.db2.gz QOPUGXGVXHQYEP-DENIHFKCSA-N 2 2 379.589 3.878 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@H]([NH2+]CCOc1cc[nH+]cc1)C2 ZINC001257804689 1044188162 /nfs/dbraw/zinc/18/81/62/1044188162.db2.gz OVDXHMOLWZGYOB-LAUBAEHRSA-N 2 2 375.513 3.620 20 0 GHADLP Cc1[nH+]c2c(n1[C@H]1CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC[NH2+]CC2 ZINC001257809209 1044190656 /nfs/dbraw/zinc/19/06/56/1044190656.db2.gz HSYHPJTXIRXARL-JTSKRJEESA-N 2 2 388.556 3.622 20 0 GHADLP COc1ccc(C[NH+]2CCC([NH2+][C@H]3COc4ccc(Cl)cc4C3)CC2)cc1 ZINC001257949381 1044268278 /nfs/dbraw/zinc/26/82/78/1044268278.db2.gz YVZYUEYGHOIYTC-HXUWFJFHSA-N 2 2 386.923 3.906 20 0 GHADLP CC(C)C[NH+]1CCC([NH+]2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC001258010573 1044336380 /nfs/dbraw/zinc/33/63/80/1044336380.db2.gz CRMVNPFLFNMBRD-UHFFFAOYSA-N 2 2 380.374 3.692 20 0 GHADLP CCOC(=O)CCC[C@@H](C)[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001258123743 1044411843 /nfs/dbraw/zinc/41/18/43/1044411843.db2.gz CEHDPDGZRWZHIS-CYBMUJFWSA-N 2 2 394.313 3.618 20 0 GHADLP CSCC[C@@H](C)[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001258229600 1044479094 /nfs/dbraw/zinc/47/90/94/1044479094.db2.gz PAFCTQXMPPMPNZ-QGZVFWFLSA-N 2 2 399.645 3.924 20 0 GHADLP CSCC[C@@H](C)[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001258229600 1044479103 /nfs/dbraw/zinc/47/91/03/1044479103.db2.gz PAFCTQXMPPMPNZ-QGZVFWFLSA-N 2 2 399.645 3.924 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](C4CCN(c5ccccc5)CC4)CC3)C2)co1 ZINC001258512412 1044589338 /nfs/dbraw/zinc/58/93/38/1044589338.db2.gz FBGNJRYGPGYTBN-UHFFFAOYSA-N 2 2 395.547 3.615 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](C4CCN(c5ccccc5)CC4)CC3)C2)co1 ZINC001258512412 1044589351 /nfs/dbraw/zinc/58/93/51/1044589351.db2.gz FBGNJRYGPGYTBN-UHFFFAOYSA-N 2 2 395.547 3.615 20 0 GHADLP O=C1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCN1Cc1ccccc1 ZINC001258575147 1044650357 /nfs/dbraw/zinc/65/03/57/1044650357.db2.gz ABMDYPZHCBCPOZ-RPWUZVMVSA-N 2 2 391.559 3.822 20 0 GHADLP O=C1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCN1Cc1ccccc1 ZINC001258575147 1044650367 /nfs/dbraw/zinc/65/03/67/1044650367.db2.gz ABMDYPZHCBCPOZ-RPWUZVMVSA-N 2 2 391.559 3.822 20 0 GHADLP CC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001258848153 1044787967 /nfs/dbraw/zinc/78/79/67/1044787967.db2.gz CCRQHQSRWSIWOR-AKIFATBCSA-N 2 2 399.604 3.996 20 0 GHADLP CC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001258848153 1044787977 /nfs/dbraw/zinc/78/79/77/1044787977.db2.gz CCRQHQSRWSIWOR-AKIFATBCSA-N 2 2 399.604 3.996 20 0 GHADLP CC[C@@H](Cc1ccccc1)[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001258848153 1044787987 /nfs/dbraw/zinc/78/79/87/1044787987.db2.gz CCRQHQSRWSIWOR-AKIFATBCSA-N 2 2 399.604 3.996 20 0 GHADLP CC[C@@H](Cc1ccccc1)[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001258848153 1044788003 /nfs/dbraw/zinc/78/80/03/1044788003.db2.gz CCRQHQSRWSIWOR-AKIFATBCSA-N 2 2 399.604 3.996 20 0 GHADLP CC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001258848154 1044788219 /nfs/dbraw/zinc/78/82/19/1044788219.db2.gz CCRQHQSRWSIWOR-YMPZKCBVSA-N 2 2 399.604 3.996 20 0 GHADLP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001258848154 1044788225 /nfs/dbraw/zinc/78/82/25/1044788225.db2.gz CCRQHQSRWSIWOR-YMPZKCBVSA-N 2 2 399.604 3.996 20 0 GHADLP CC[C@H](Cc1ccccc1)[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001258848154 1044788231 /nfs/dbraw/zinc/78/82/31/1044788231.db2.gz CCRQHQSRWSIWOR-YMPZKCBVSA-N 2 2 399.604 3.996 20 0 GHADLP CC[C@H](Cc1ccccc1)[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001258848154 1044788238 /nfs/dbraw/zinc/78/82/38/1044788238.db2.gz CCRQHQSRWSIWOR-YMPZKCBVSA-N 2 2 399.604 3.996 20 0 GHADLP COc1cc(C[C@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1OC ZINC001258878608 1044829529 /nfs/dbraw/zinc/82/95/29/1044829529.db2.gz WHYRGEJKLWALFZ-KRWDZBQOSA-N 2 2 395.503 3.961 20 0 GHADLP COc1cc(C[C@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1OC ZINC001258878608 1044829557 /nfs/dbraw/zinc/82/95/57/1044829557.db2.gz WHYRGEJKLWALFZ-KRWDZBQOSA-N 2 2 395.503 3.961 20 0 GHADLP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3OC)CC2)c1 ZINC001258896553 1044852737 /nfs/dbraw/zinc/85/27/37/1044852737.db2.gz QLXQXYALLITSDG-SFHVURJKSA-N 2 2 396.531 3.667 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551734872 1044959469 /nfs/dbraw/zinc/95/94/69/1044959469.db2.gz OWPIKXMUZALIPR-FFYZIMEISA-N 2 2 386.580 3.539 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551734872 1044959474 /nfs/dbraw/zinc/95/94/74/1044959474.db2.gz OWPIKXMUZALIPR-FFYZIMEISA-N 2 2 386.580 3.539 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[NH+]2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551734872 1044959476 /nfs/dbraw/zinc/95/94/76/1044959476.db2.gz OWPIKXMUZALIPR-FFYZIMEISA-N 2 2 386.580 3.539 20 0 GHADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[NH+]2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551734872 1044959478 /nfs/dbraw/zinc/95/94/78/1044959478.db2.gz OWPIKXMUZALIPR-FFYZIMEISA-N 2 2 386.580 3.539 20 0 GHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NC[C@H]2CSCC[NH2+]2)n1 ZINC001307199529 1045153975 /nfs/dbraw/zinc/15/39/75/1045153975.db2.gz UFZNCXFRLCEBSS-HNNXBMFYSA-N 2 2 399.589 3.537 20 0 GHADLP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001297114289 1045455135 /nfs/dbraw/zinc/45/51/35/1045455135.db2.gz FBVBDAPVDRQVJZ-FCHUYYIVSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001297114289 1045455140 /nfs/dbraw/zinc/45/51/40/1045455140.db2.gz FBVBDAPVDRQVJZ-FCHUYYIVSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001297114289 1045455145 /nfs/dbraw/zinc/45/51/45/1045455145.db2.gz FBVBDAPVDRQVJZ-FCHUYYIVSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001297114289 1045455149 /nfs/dbraw/zinc/45/51/49/1045455149.db2.gz FBVBDAPVDRQVJZ-FCHUYYIVSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001297114291 1045455408 /nfs/dbraw/zinc/45/54/08/1045455408.db2.gz FBVBDAPVDRQVJZ-VXKWHMMOSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001297114291 1045455410 /nfs/dbraw/zinc/45/54/10/1045455410.db2.gz FBVBDAPVDRQVJZ-VXKWHMMOSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001297114291 1045455414 /nfs/dbraw/zinc/45/54/14/1045455414.db2.gz FBVBDAPVDRQVJZ-VXKWHMMOSA-N 2 2 387.543 3.703 20 0 GHADLP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001297114291 1045455415 /nfs/dbraw/zinc/45/54/15/1045455415.db2.gz FBVBDAPVDRQVJZ-VXKWHMMOSA-N 2 2 387.543 3.703 20 0 GHADLP CC(C)C[C@H](C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C)n1cc[nH+]c1 ZINC001298721703 1045929567 /nfs/dbraw/zinc/92/95/67/1045929567.db2.gz FZJUOMKEAKBOPZ-RTWAWAEBSA-N 2 2 386.540 3.677 20 0 GHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000378931926 1046692628 /nfs/dbraw/zinc/69/26/28/1046692628.db2.gz YVMGYUIYNMKDIW-MRXNPFEDSA-N 2 2 394.313 3.621 20 0 GHADLP COc1cccc([C@@H](C)CCCC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c1 ZINC001302317377 1046907277 /nfs/dbraw/zinc/90/72/77/1046907277.db2.gz WBMCMDNECNPCKO-SFHVURJKSA-N 2 2 396.535 3.755 20 0 GHADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC001264591564 1047384432 /nfs/dbraw/zinc/38/44/32/1047384432.db2.gz CMGSFYFJDIVXBO-NHCUHLMSSA-N 2 2 397.588 3.837 20 0 GHADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1 ZINC001264591564 1047384444 /nfs/dbraw/zinc/38/44/44/1047384444.db2.gz CMGSFYFJDIVXBO-NHCUHLMSSA-N 2 2 397.588 3.837 20 0 GHADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001264591564 1047384453 /nfs/dbraw/zinc/38/44/53/1047384453.db2.gz CMGSFYFJDIVXBO-NHCUHLMSSA-N 2 2 397.588 3.837 20 0 GHADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001264591564 1047384467 /nfs/dbraw/zinc/38/44/67/1047384467.db2.gz CMGSFYFJDIVXBO-NHCUHLMSSA-N 2 2 397.588 3.837 20 0 GHADLP Brc1ncc(C[NH+]2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)s1 ZINC001279159318 1047733507 /nfs/dbraw/zinc/73/35/07/1047733507.db2.gz XYKAYZSQGADNKY-UHFFFAOYSA-N 2 2 395.370 3.722 20 0 GHADLP Brc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)s1 ZINC001279159318 1047733512 /nfs/dbraw/zinc/73/35/12/1047733512.db2.gz XYKAYZSQGADNKY-UHFFFAOYSA-N 2 2 395.370 3.722 20 0 GHADLP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Br)cc3F)(C1)CCC2 ZINC001279348222 1047775875 /nfs/dbraw/zinc/77/58/75/1047775875.db2.gz AMPQUFCOOHBCPB-RBUKOAKNSA-N 2 2 398.364 3.674 20 0 GHADLP Cc1ncsc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(F)cncc3F)(C1)CCC2 ZINC001279408110 1047797093 /nfs/dbraw/zinc/79/70/93/1047797093.db2.gz WSRXSEXAUHRBOF-MOPGFXCFSA-N 2 2 378.492 3.850 20 0 GHADLP Fc1ccc(F)c(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c1Cl ZINC001279442774 1047809596 /nfs/dbraw/zinc/80/95/96/1047809596.db2.gz WTXQDSBPIVREHL-UHFFFAOYSA-N 2 2 380.870 3.829 20 0 GHADLP Fc1ccc(F)c(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1Cl ZINC001279442774 1047809601 /nfs/dbraw/zinc/80/96/01/1047809601.db2.gz WTXQDSBPIVREHL-UHFFFAOYSA-N 2 2 380.870 3.829 20 0 GHADLP COc1c(Cl)cc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)cc1Cl ZINC001279572950 1047843612 /nfs/dbraw/zinc/84/36/12/1047843612.db2.gz QSNJLDVKTBHNAA-UHFFFAOYSA-N 2 2 395.334 3.823 20 0 GHADLP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)cc(Cl)c1F)CC2 ZINC001279804147 1047955072 /nfs/dbraw/zinc/95/50/72/1047955072.db2.gz SATZZCYUQGKZRX-UHFFFAOYSA-N 2 2 388.358 3.982 20 0 GHADLP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)cc(Cl)c1F)CC2 ZINC001279804147 1047955077 /nfs/dbraw/zinc/95/50/77/1047955077.db2.gz SATZZCYUQGKZRX-UHFFFAOYSA-N 2 2 388.358 3.982 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)[C@H]3C2)cc1 ZINC000643480379 1048233027 /nfs/dbraw/zinc/23/30/27/1048233027.db2.gz DBSFKAIKTPJATR-VMAPGKTHSA-N 3 2 375.560 3.980 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)[C@H]3C2)cc1 ZINC000643480379 1048233038 /nfs/dbraw/zinc/23/30/38/1048233038.db2.gz DBSFKAIKTPJATR-VMAPGKTHSA-N 3 2 375.560 3.980 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[NH2+][C@H](c5ccccc5)C4)[C@@H]3C2)cc1 ZINC000643480377 1048233309 /nfs/dbraw/zinc/23/33/09/1048233309.db2.gz DBSFKAIKTPJATR-QVXKZJQXSA-N 3 2 375.560 3.980 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[NH2+][C@H](c5ccccc5)C4)[C@@H]3C2)cc1 ZINC000643480377 1048233314 /nfs/dbraw/zinc/23/33/14/1048233314.db2.gz DBSFKAIKTPJATR-QVXKZJQXSA-N 3 2 375.560 3.980 20 0 GHADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cccc(Cl)c1F ZINC001307759931 1049574338 /nfs/dbraw/zinc/57/43/38/1049574338.db2.gz FXEISAWOJZFNFA-UHFFFAOYSA-N 2 2 375.919 3.729 20 0 GHADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cccc(Cl)c1F ZINC001307759931 1049574353 /nfs/dbraw/zinc/57/43/53/1049574353.db2.gz FXEISAWOJZFNFA-UHFFFAOYSA-N 2 2 375.919 3.729 20 0 GHADLP O=C1NCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1CC1CCCCC1 ZINC001307855663 1049637567 /nfs/dbraw/zinc/63/75/67/1049637567.db2.gz ZLVBYTGJJSBAQN-HSZRJFAPSA-N 2 2 383.580 3.943 20 0 GHADLP O=C1NCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1CC1CCCCC1 ZINC001307855663 1049637573 /nfs/dbraw/zinc/63/75/73/1049637573.db2.gz ZLVBYTGJJSBAQN-HSZRJFAPSA-N 2 2 383.580 3.943 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC001290052867 1049720329 /nfs/dbraw/zinc/72/03/29/1049720329.db2.gz YANOJGCPHKPDAN-HSZRJFAPSA-N 2 2 379.548 3.722 20 0 GHADLP Cc1nc(-c2ccccc2)oc1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001307973030 1049732185 /nfs/dbraw/zinc/73/21/85/1049732185.db2.gz WRRDHSJNNHUTNS-XMMPIXPASA-N 2 2 391.515 3.719 20 0 GHADLP Cc1nc(-c2ccccc2)oc1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001307973030 1049732193 /nfs/dbraw/zinc/73/21/93/1049732193.db2.gz WRRDHSJNNHUTNS-XMMPIXPASA-N 2 2 391.515 3.719 20 0 GHADLP Cc1nc(-c2ccccc2)oc1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001307973030 1049732200 /nfs/dbraw/zinc/73/22/00/1049732200.db2.gz WRRDHSJNNHUTNS-XMMPIXPASA-N 2 2 391.515 3.719 20 0 GHADLP Cc1nc(-c2ccccc2)oc1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001307973030 1049732208 /nfs/dbraw/zinc/73/22/08/1049732208.db2.gz WRRDHSJNNHUTNS-XMMPIXPASA-N 2 2 391.515 3.719 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1cccc(F)c1 ZINC001290306576 1049796410 /nfs/dbraw/zinc/79/64/10/1049796410.db2.gz WEXQAVVUDJBNOM-OALUTQOASA-N 2 2 377.891 3.501 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cc(Br)cs3)[nH+]c2)C1 ZINC001308337522 1049952138 /nfs/dbraw/zinc/95/21/38/1049952138.db2.gz LQUJDRYAGZHMEB-AWEZNQCLSA-N 2 2 381.343 3.658 20 0 GHADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CCc2ccc(I)cc2)C1 ZINC001308733906 1050075645 /nfs/dbraw/zinc/07/56/45/1050075645.db2.gz GIGADGCSLCTEIW-PBHICJAKSA-N 2 2 386.321 3.686 20 0 GHADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CCc2ccc(I)cc2)C1 ZINC001308733906 1050075647 /nfs/dbraw/zinc/07/56/47/1050075647.db2.gz GIGADGCSLCTEIW-PBHICJAKSA-N 2 2 386.321 3.686 20 0 GHADLP CO[C@@H](CC(C)C)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001308745050 1050078698 /nfs/dbraw/zinc/07/86/98/1050078698.db2.gz RSTLKUVOZSXBRO-INIZCTEOSA-N 2 2 384.318 3.802 20 0 GHADLP CO[C@@H](CC(C)C)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001308745050 1050078700 /nfs/dbraw/zinc/07/87/00/1050078700.db2.gz RSTLKUVOZSXBRO-INIZCTEOSA-N 2 2 384.318 3.802 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc4ccc(F)c(F)c4n3)CC2)CC1 ZINC001308822408 1050107690 /nfs/dbraw/zinc/10/76/90/1050107690.db2.gz CSZYATQYAPWVNG-UHFFFAOYSA-N 2 2 388.506 3.505 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc4ccc(F)c(F)c4n3)CC2)CC1 ZINC001308822408 1050107700 /nfs/dbraw/zinc/10/77/00/1050107700.db2.gz CSZYATQYAPWVNG-UHFFFAOYSA-N 2 2 388.506 3.505 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc4ccc(F)c(F)c4n3)CC2)CC1 ZINC001308822408 1050107711 /nfs/dbraw/zinc/10/77/11/1050107711.db2.gz CSZYATQYAPWVNG-UHFFFAOYSA-N 2 2 388.506 3.505 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc4ccc(F)c(F)c4n3)CC2)CC1 ZINC001308822408 1050107718 /nfs/dbraw/zinc/10/77/18/1050107718.db2.gz CSZYATQYAPWVNG-UHFFFAOYSA-N 2 2 388.506 3.505 20 0 GHADLP CC[N@@H+]1CCC[C@@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC001308897514 1050146441 /nfs/dbraw/zinc/14/64/41/1050146441.db2.gz LRJRVDLFXBXDTL-PZUNEJSGSA-N 2 2 393.575 3.737 20 0 GHADLP CC[N@H+]1CCC[C@@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC001308897514 1050146450 /nfs/dbraw/zinc/14/64/50/1050146450.db2.gz LRJRVDLFXBXDTL-PZUNEJSGSA-N 2 2 393.575 3.737 20 0 GHADLP CC[NH+]1CCC[C@@H](N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC001308897514 1050146458 /nfs/dbraw/zinc/14/64/58/1050146458.db2.gz LRJRVDLFXBXDTL-PZUNEJSGSA-N 2 2 393.575 3.737 20 0 GHADLP CC[NH+]1CCC[C@@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC001308897514 1050146466 /nfs/dbraw/zinc/14/64/66/1050146466.db2.gz LRJRVDLFXBXDTL-PZUNEJSGSA-N 2 2 393.575 3.737 20 0 GHADLP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC001311048612 1051804208 /nfs/dbraw/zinc/80/42/08/1051804208.db2.gz OCVVRRFCXHTZFE-MOPGFXCFSA-N 2 2 378.586 3.857 20 0 GHADLP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC001311048612 1051804218 /nfs/dbraw/zinc/80/42/18/1051804218.db2.gz OCVVRRFCXHTZFE-MOPGFXCFSA-N 2 2 378.586 3.857 20 0 GHADLP C[NH+](C)CC1CC[NH+](CC(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)CC1 ZINC001334170279 1051913946 /nfs/dbraw/zinc/91/39/46/1051913946.db2.gz IMXQYRYTUKKZQT-UHFFFAOYSA-N 2 2 397.548 3.504 20 0 GHADLP Cc1c(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)ccc2c[nH+]cn21 ZINC001337549469 1052500738 /nfs/dbraw/zinc/50/07/38/1052500738.db2.gz IKXOYIIEKFAXCM-UHFFFAOYSA-N 2 2 399.458 3.532 20 0 GHADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001313385978 1053039708 /nfs/dbraw/zinc/03/97/08/1053039708.db2.gz SUEHYBDUBJOIGY-ROUUACIJSA-N 2 2 377.577 3.503 20 0 GHADLP C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001474737093 1055136386 /nfs/dbraw/zinc/13/63/86/1055136386.db2.gz MWDHMKSGWZZRTM-RHSMWYFYSA-N 2 2 386.321 3.686 20 0 GHADLP C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001474737093 1055136396 /nfs/dbraw/zinc/13/63/96/1055136396.db2.gz MWDHMKSGWZZRTM-RHSMWYFYSA-N 2 2 386.321 3.686 20 0 GHADLP C[C@H](C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[NH+]1[C@H](C)CC[C@H]1C ZINC001320627608 1055908126 /nfs/dbraw/zinc/90/81/26/1055908126.db2.gz CUHCKZGMSAHPPT-BRWVUGGUSA-N 2 2 383.540 3.749 20 0 GHADLP Cc1cc([C@@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c(C)o1 ZINC001324811597 1057231566 /nfs/dbraw/zinc/23/15/66/1057231566.db2.gz ZYWBUJIQKMGQRE-OAHLLOKOSA-N 2 2 390.553 3.874 20 0 GHADLP Fc1cccc(C2([NH2+]CC3(C[NH2+]C4(c5cccc(F)c5)CC4)COC3)CC2)c1 ZINC001325173146 1057284447 /nfs/dbraw/zinc/28/44/47/1057284447.db2.gz ZDXADJYAMSMQBE-UHFFFAOYSA-N 2 2 384.470 3.839 20 0 GHADLP CC[NH+](Cc1ccncc1)Cc1cncc(C[N@H+](CC)Cc2ccncc2)c1 ZINC001326502261 1057498609 /nfs/dbraw/zinc/49/86/09/1057498609.db2.gz NICAGMBORBZCQB-UHFFFAOYSA-N 2 2 375.520 3.916 20 0 GHADLP CC[NH+](Cc1ccncc1)Cc1cncc(C[N@@H+](CC)Cc2ccncc2)c1 ZINC001326502261 1057498611 /nfs/dbraw/zinc/49/86/11/1057498611.db2.gz NICAGMBORBZCQB-UHFFFAOYSA-N 2 2 375.520 3.916 20 0 GHADLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)c1cccc(F)c1 ZINC000849083854 1057585623 /nfs/dbraw/zinc/58/56/23/1057585623.db2.gz MAOLUSJESKPDFD-INIZCTEOSA-N 2 2 384.377 3.963 20 0 GHADLP COc1cccc([C@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000849090004 1057589212 /nfs/dbraw/zinc/58/92/12/1057589212.db2.gz NCENOWUZZTXGAW-SFHVURJKSA-N 2 2 394.441 3.631 20 0 GHADLP C[NH+](C)[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000849091262 1057591291 /nfs/dbraw/zinc/59/12/91/1057591291.db2.gz PZUKMZVCMADTKH-QGZVFWFLSA-N 2 2 382.405 3.761 20 0 GHADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001338243428 1058472669 /nfs/dbraw/zinc/47/26/69/1058472669.db2.gz JOPSNRMGSQTIPX-KRXUUXHPSA-N 2 2 392.632 3.505 20 0 GHADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001338243428 1058472672 /nfs/dbraw/zinc/47/26/72/1058472672.db2.gz JOPSNRMGSQTIPX-KRXUUXHPSA-N 2 2 392.632 3.505 20 0 GHADLP CN(C(=O)CCC[Si](C)(C)C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001447302981 1059945347 /nfs/dbraw/zinc/94/53/47/1059945347.db2.gz FDTPGBKHBWYLKZ-UXHICEINSA-N 2 2 381.681 3.900 20 0 GHADLP CN(C(=O)CCC[Si](C)(C)C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001447302981 1059945348 /nfs/dbraw/zinc/94/53/48/1059945348.db2.gz FDTPGBKHBWYLKZ-UXHICEINSA-N 2 2 381.681 3.900 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC(Nc4ccccc4)CC3)C2)cc1 ZINC001340746507 1060090736 /nfs/dbraw/zinc/09/07/36/1060090736.db2.gz FPMUBWIBROGDDE-XMMPIXPASA-N 2 2 379.548 3.854 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC(Nc4ccccc4)CC3)C2)cc1 ZINC001340746507 1060090758 /nfs/dbraw/zinc/09/07/58/1060090758.db2.gz FPMUBWIBROGDDE-XMMPIXPASA-N 2 2 379.548 3.854 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)CCc2[nH+]ccn2C)cc1)C[C@H]1CCCCO1 ZINC001346734317 1061836534 /nfs/dbraw/zinc/83/65/34/1061836534.db2.gz GSQVGXPAAWBIEH-OAQYLSRUSA-N 2 2 398.551 3.771 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)CCc2[nH+]ccn2C)cc1)C[C@H]1CCCCO1 ZINC001346734317 1061836550 /nfs/dbraw/zinc/83/65/50/1061836550.db2.gz GSQVGXPAAWBIEH-OAQYLSRUSA-N 2 2 398.551 3.771 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)Nc3ccc(N4CCC(C[NH+](C)C)CC4)cc3)ccn12 ZINC000847514607 1065506032 /nfs/dbraw/zinc/50/60/32/1065506032.db2.gz FKBSHTXZFULWNR-UHFFFAOYSA-N 2 2 391.519 3.673 20 0 GHADLP CC[N@H+](CC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)Cc1ccccc1Cl ZINC001465551222 1065707884 /nfs/dbraw/zinc/70/78/84/1065707884.db2.gz VHNSJPMFORUAIX-NRFANRHFSA-N 2 2 399.966 3.895 20 0 GHADLP CC[N@@H+](CC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)Cc1ccccc1Cl ZINC001465551222 1065707906 /nfs/dbraw/zinc/70/79/06/1065707906.db2.gz VHNSJPMFORUAIX-NRFANRHFSA-N 2 2 399.966 3.895 20 0 GHADLP CC[NH+](CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)Cc1ccccc1Cl ZINC001465551222 1065707920 /nfs/dbraw/zinc/70/79/20/1065707920.db2.gz VHNSJPMFORUAIX-NRFANRHFSA-N 2 2 399.966 3.895 20 0 GHADLP CC[NH+](CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)Cc1ccccc1Cl ZINC001465551222 1065707937 /nfs/dbraw/zinc/70/79/37/1065707937.db2.gz VHNSJPMFORUAIX-NRFANRHFSA-N 2 2 399.966 3.895 20 0 GHADLP Cc1cc(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cn2cc[nH+]c12 ZINC001466702076 1066265499 /nfs/dbraw/zinc/26/54/99/1066265499.db2.gz WAQZHTXUCNLHSB-FQEVSTJZSA-N 2 2 395.507 3.854 20 0 GHADLP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001470176672 1068611185 /nfs/dbraw/zinc/61/11/85/1068611185.db2.gz GYDRUXUAOFGFQN-LEWJYISDSA-N 2 2 389.971 3.828 20 0 GHADLP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001470176672 1068611196 /nfs/dbraw/zinc/61/11/96/1068611196.db2.gz GYDRUXUAOFGFQN-LEWJYISDSA-N 2 2 389.971 3.828 20 0 GHADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001470176672 1068611202 /nfs/dbraw/zinc/61/12/02/1068611202.db2.gz GYDRUXUAOFGFQN-LEWJYISDSA-N 2 2 389.971 3.828 20 0 GHADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001470176672 1068611214 /nfs/dbraw/zinc/61/12/14/1068611214.db2.gz GYDRUXUAOFGFQN-LEWJYISDSA-N 2 2 389.971 3.828 20 0 GHADLP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001470176673 1068611480 /nfs/dbraw/zinc/61/14/80/1068611480.db2.gz GYDRUXUAOFGFQN-NHCUHLMSSA-N 2 2 389.971 3.828 20 0 GHADLP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001470176673 1068611483 /nfs/dbraw/zinc/61/14/83/1068611483.db2.gz GYDRUXUAOFGFQN-NHCUHLMSSA-N 2 2 389.971 3.828 20 0 GHADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001470176673 1068611485 /nfs/dbraw/zinc/61/14/85/1068611485.db2.gz GYDRUXUAOFGFQN-NHCUHLMSSA-N 2 2 389.971 3.828 20 0 GHADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001470176673 1068611487 /nfs/dbraw/zinc/61/14/87/1068611487.db2.gz GYDRUXUAOFGFQN-NHCUHLMSSA-N 2 2 389.971 3.828 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+]3CCN(c4cc[nH+]cc4)[C@@H](C)C3)co2)cc1 ZINC001460709367 1069109217 /nfs/dbraw/zinc/10/92/17/1069109217.db2.gz MNCIEABOPRSREC-KRWDZBQOSA-N 2 2 378.476 3.846 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+]3CCN(c4cc[nH+]cc4)[C@@H](C)C3)co2)cc1 ZINC001460709367 1069109229 /nfs/dbraw/zinc/10/92/29/1069109229.db2.gz MNCIEABOPRSREC-KRWDZBQOSA-N 2 2 378.476 3.846 20 0 GHADLP Cc1[nH]c(C2CC[NH+]([C@H]3CCN(c4c(C)cc(C)cc4C)C3=O)CC2)[nH+]c1C ZINC001460788990 1069179583 /nfs/dbraw/zinc/17/95/83/1069179583.db2.gz MGGYMCYPRAZSGV-FQEVSTJZSA-N 2 2 380.536 3.937 20 0 GHADLP Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H](c4c[nH+]cn4C(C)(C)C)C3)C2=O)cc1 ZINC001460973206 1069307949 /nfs/dbraw/zinc/30/79/49/1069307949.db2.gz LUPORLLASAWYPQ-UYAOXDASSA-N 2 2 380.536 3.931 20 0 GHADLP Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@H](c4c[nH+]cn4C(C)(C)C)C3)C2=O)cc1 ZINC001460973206 1069307967 /nfs/dbraw/zinc/30/79/67/1069307967.db2.gz LUPORLLASAWYPQ-UYAOXDASSA-N 2 2 380.536 3.931 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC001470634963 1072658494 /nfs/dbraw/zinc/65/84/94/1072658494.db2.gz BTGPDIVIQRVCMC-OAQYLSRUSA-N 2 2 385.939 3.969 20 0 GHADLP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001471399137 1073053020 /nfs/dbraw/zinc/05/30/20/1073053020.db2.gz BOGFMYWKZWNMIE-HSZRJFAPSA-N 2 2 388.515 3.999 20 0 GHADLP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001471399137 1073053032 /nfs/dbraw/zinc/05/30/32/1073053032.db2.gz BOGFMYWKZWNMIE-HSZRJFAPSA-N 2 2 388.515 3.999 20 0 GHADLP CNc1cc(CNC(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)cc[nH+]1 ZINC001471605868 1073156802 /nfs/dbraw/zinc/15/68/02/1073156802.db2.gz UVMUFGSFOSJHQX-FXAWDEMLSA-N 2 2 383.540 3.688 20 0 GHADLP Cc1nc(NCC2([N@H+](C)Cc3ccccc3)CCOCC2)c2c([nH+]1)CCCC2 ZINC001472871919 1073705079 /nfs/dbraw/zinc/70/50/79/1073705079.db2.gz QJCICNZYIPOFEK-UHFFFAOYSA-N 2 2 380.536 3.757 20 0 GHADLP Cc1nc(NCC2([N@@H+](C)Cc3ccccc3)CCOCC2)c2c([nH+]1)CCCC2 ZINC001472871919 1073705088 /nfs/dbraw/zinc/70/50/88/1073705088.db2.gz QJCICNZYIPOFEK-UHFFFAOYSA-N 2 2 380.536 3.757 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@@H](CCF)C3)CC2)cc1 ZINC001473642513 1074063760 /nfs/dbraw/zinc/06/37/60/1074063760.db2.gz CLKOGMCERMJBKX-FQEVSTJZSA-N 2 2 389.559 3.526 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@@H](CCF)C3)CC2)cc1 ZINC001473642513 1074063761 /nfs/dbraw/zinc/06/37/61/1074063761.db2.gz CLKOGMCERMJBKX-FQEVSTJZSA-N 2 2 389.559 3.526 20 0 GHADLP C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001473834395 1074165661 /nfs/dbraw/zinc/16/56/61/1074165661.db2.gz QIPKLCSXRJRLSB-REHUZNOOSA-N 2 2 380.532 3.869 20 0 GHADLP C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001473834395 1074165667 /nfs/dbraw/zinc/16/56/67/1074165667.db2.gz QIPKLCSXRJRLSB-REHUZNOOSA-N 2 2 380.532 3.869 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CCCC12CC[NH+](CCCn1cc[nH+]c1)CC2 ZINC001473899774 1074196021 /nfs/dbraw/zinc/19/60/21/1074196021.db2.gz OTWUALCWIRMXTF-GOSISDBHSA-N 2 2 376.545 3.680 20 0 GHADLP C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473898329 1074196116 /nfs/dbraw/zinc/19/61/16/1074196116.db2.gz XCTWUDRNOZAFQR-AEFFLSMTSA-N 2 2 386.515 3.662 20 0 GHADLP C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473898329 1074196118 /nfs/dbraw/zinc/19/61/18/1074196118.db2.gz XCTWUDRNOZAFQR-AEFFLSMTSA-N 2 2 386.515 3.662 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(CC(C)C)nc3)CC2)c1 ZINC001473920041 1074203920 /nfs/dbraw/zinc/20/39/20/1074203920.db2.gz BMIXXFYOQNLLRZ-UHFFFAOYSA-N 2 2 380.580 3.890 20 0 GHADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001474042339 1074245659 /nfs/dbraw/zinc/24/56/59/1074245659.db2.gz FPMBEOMYBVMOTN-DNQXCXABSA-N 2 2 390.531 3.642 20 0 GHADLP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1Cc1c[nH+]c2n1CCC2 ZINC001474543646 1074457436 /nfs/dbraw/zinc/45/74/36/1074457436.db2.gz ZPCMYVKKXYGSGT-QFIPXVFZSA-N 2 2 380.580 3.994 20 0 GHADLP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1Cc1c[nH+]c2n1CCC2 ZINC001474543646 1074457439 /nfs/dbraw/zinc/45/74/39/1074457439.db2.gz ZPCMYVKKXYGSGT-QFIPXVFZSA-N 2 2 380.580 3.994 20 0 GHADLP COc1c(Br)cccc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001474686079 1074514545 /nfs/dbraw/zinc/51/45/45/1074514545.db2.gz LASKBHOTURYIMP-CQSZACIVSA-N 2 2 376.298 3.563 20 0 GHADLP COc1c(Br)cccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001474686079 1074514549 /nfs/dbraw/zinc/51/45/49/1074514549.db2.gz LASKBHOTURYIMP-CQSZACIVSA-N 2 2 376.298 3.563 20 0 GHADLP CCC(CC)(C[NH2+]Cc1cc(-c2nn[nH]n2)cs1)[NH2+][C@H](C)c1ccccc1 ZINC000820887830 606220945 /nfs/dbraw/zinc/22/09/45/606220945.db2.gz TUQGQYDFDZGHKR-OAHLLOKOSA-N 2 2 384.553 3.927 20 0 GHADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000822478123 606622237 /nfs/dbraw/zinc/62/22/37/606622237.db2.gz QXMKMNRXRKGFAI-HXUWFJFHSA-N 2 2 399.502 3.703 20 0 GHADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000822478123 606622238 /nfs/dbraw/zinc/62/22/38/606622238.db2.gz QXMKMNRXRKGFAI-HXUWFJFHSA-N 2 2 399.502 3.703 20 0 GHADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(C(C)(C)C)[nH+]1 ZINC001164836202 720616929 /nfs/dbraw/zinc/61/69/29/720616929.db2.gz FGIZBGOIRKDGOJ-VAMGGRTRSA-N 2 2 396.583 3.657 20 0 GHADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C(C)(C)C)[nH+]1 ZINC001164836202 720616942 /nfs/dbraw/zinc/61/69/42/720616942.db2.gz FGIZBGOIRKDGOJ-VAMGGRTRSA-N 2 2 396.583 3.657 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C4CC4)cc[nH+]3)C2)C1 ZINC001164776816 721354375 /nfs/dbraw/zinc/35/43/75/721354375.db2.gz CXNQQOBOXQUPDD-QHCPKHFHSA-N 2 2 396.535 3.683 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C4CC4)cc[nH+]3)C2)C1 ZINC001164776816 721354380 /nfs/dbraw/zinc/35/43/80/721354380.db2.gz CXNQQOBOXQUPDD-QHCPKHFHSA-N 2 2 396.535 3.683 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414083304 837412226 /nfs/dbraw/zinc/41/22/26/837412226.db2.gz WBMFENXGEBDIHV-SXLOBPIMSA-N 2 2 377.960 3.508 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414083304 837412228 /nfs/dbraw/zinc/41/22/28/837412228.db2.gz WBMFENXGEBDIHV-SXLOBPIMSA-N 2 2 377.960 3.508 20 0 GHADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000431787104 837497290 /nfs/dbraw/zinc/49/72/90/837497290.db2.gz GFPPUCBEMJRHTM-WOJBJXKFSA-N 2 2 383.540 3.572 20 0 GHADLP Clc1cccc([C@H](CNC2CC[NH+](C[C@@H]3CCCO3)CC2)[NH+]2CCCC2)c1 ZINC000655688812 837610391 /nfs/dbraw/zinc/61/03/91/837610391.db2.gz JPLJKNYNDUBITE-VXKWHMMOSA-N 2 2 391.987 3.710 20 0 GHADLP Clc1cccc([C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)N2CCCC2)c1 ZINC000655688812 837610396 /nfs/dbraw/zinc/61/03/96/837610396.db2.gz JPLJKNYNDUBITE-VXKWHMMOSA-N 2 2 391.987 3.710 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584399156 834519768 /nfs/dbraw/zinc/51/97/68/834519768.db2.gz VNTOOFRLIVYJDG-OALUTQOASA-N 2 2 388.874 3.649 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584399156 834519777 /nfs/dbraw/zinc/51/97/77/834519777.db2.gz VNTOOFRLIVYJDG-OALUTQOASA-N 2 2 388.874 3.649 20 0 GHADLP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000583548405 834627741 /nfs/dbraw/zinc/62/77/41/834627741.db2.gz MOOLDQRNCXWQIZ-FQEVSTJZSA-N 2 2 381.524 3.920 20 0 GHADLP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000583548405 834627745 /nfs/dbraw/zinc/62/77/45/834627745.db2.gz MOOLDQRNCXWQIZ-FQEVSTJZSA-N 2 2 381.524 3.920 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092071791 834665580 /nfs/dbraw/zinc/66/55/80/834665580.db2.gz YWCZOZFEUBUDER-QGZVFWFLSA-N 2 2 378.476 3.772 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092071791 834665583 /nfs/dbraw/zinc/66/55/83/834665583.db2.gz YWCZOZFEUBUDER-QGZVFWFLSA-N 2 2 378.476 3.772 20 0 GHADLP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000146056287 834819494 /nfs/dbraw/zinc/81/94/94/834819494.db2.gz WPSJLXSBBZARSB-UHFFFAOYSA-N 2 2 392.528 3.716 20 0 GHADLP O=C(NC1CC1)[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000146720551 834826730 /nfs/dbraw/zinc/82/67/30/834826730.db2.gz GYBQPRDGIXDXGS-DYESRHJHSA-N 2 2 383.561 3.570 20 0 GHADLP O=C(NC1CC1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000146720551 834826740 /nfs/dbraw/zinc/82/67/40/834826740.db2.gz GYBQPRDGIXDXGS-DYESRHJHSA-N 2 2 383.561 3.570 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000130586837 835068795 /nfs/dbraw/zinc/06/87/95/835068795.db2.gz DJSUQDFVAUMRFK-UHFFFAOYSA-N 2 2 397.548 3.660 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000130586837 835068805 /nfs/dbraw/zinc/06/88/05/835068805.db2.gz DJSUQDFVAUMRFK-UHFFFAOYSA-N 2 2 397.548 3.660 20 0 GHADLP CC[N@@H+](Cc1csc(N(C)C2CC2)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000151167046 835111932 /nfs/dbraw/zinc/11/19/32/835111932.db2.gz AREPVWNQYRQVBK-UHFFFAOYSA-N 2 2 385.581 3.875 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000471173470 835413754 /nfs/dbraw/zinc/41/37/54/835413754.db2.gz RQDOVRDOBWRJBS-NQIIRXRSSA-N 2 2 394.544 3.947 20 0 GHADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000471173470 835413758 /nfs/dbraw/zinc/41/37/58/835413758.db2.gz RQDOVRDOBWRJBS-NQIIRXRSSA-N 2 2 394.544 3.947 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090144 835415720 /nfs/dbraw/zinc/41/57/20/835415720.db2.gz DUSBQKPKEKDXRV-ZFWWWQNUSA-N 2 2 387.446 3.765 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090144 835415725 /nfs/dbraw/zinc/41/57/25/835415725.db2.gz DUSBQKPKEKDXRV-ZFWWWQNUSA-N 2 2 387.446 3.765 20 0 GHADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000584135777 835684551 /nfs/dbraw/zinc/68/45/51/835684551.db2.gz VTXHQQJZJHWWCW-HXUWFJFHSA-N 2 2 397.567 3.605 20 0 GHADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000584135777 835684553 /nfs/dbraw/zinc/68/45/53/835684553.db2.gz VTXHQQJZJHWWCW-HXUWFJFHSA-N 2 2 397.567 3.605 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)ccn12 ZINC000584240370 835794337 /nfs/dbraw/zinc/79/43/37/835794337.db2.gz FLGPXKQYXDTYOC-YADHBBJMSA-N 2 2 388.515 3.769 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)ccn12 ZINC000584240370 835794344 /nfs/dbraw/zinc/79/43/44/835794344.db2.gz FLGPXKQYXDTYOC-YADHBBJMSA-N 2 2 388.515 3.769 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CC[NH+](C)C3CCCCC3)n2)C1 ZINC000547732229 835840441 /nfs/dbraw/zinc/84/04/41/835840441.db2.gz INPJHZUEOTXFFP-INIZCTEOSA-N 2 2 378.586 3.968 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CC[NH+](C)C3CCCCC3)n2)C1 ZINC000547732229 835840443 /nfs/dbraw/zinc/84/04/43/835840443.db2.gz INPJHZUEOTXFFP-INIZCTEOSA-N 2 2 378.586 3.968 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)CC[N@H+](C)C3CCCCC3)n2)C1 ZINC000547732229 835840447 /nfs/dbraw/zinc/84/04/47/835840447.db2.gz INPJHZUEOTXFFP-INIZCTEOSA-N 2 2 378.586 3.968 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)CC[N@@H+](C)C3CCCCC3)n2)C1 ZINC000547732229 835840449 /nfs/dbraw/zinc/84/04/49/835840449.db2.gz INPJHZUEOTXFFP-INIZCTEOSA-N 2 2 378.586 3.968 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000151829982 835889402 /nfs/dbraw/zinc/88/94/02/835889402.db2.gz PGIXUWRGKHOJAY-NQIIRXRSSA-N 2 2 383.540 3.518 20 0 GHADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001206806696 835911287 /nfs/dbraw/zinc/91/12/87/835911287.db2.gz HEUVTTJPBOVKBV-PWSUYJOCSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001206806696 835911290 /nfs/dbraw/zinc/91/12/90/835911290.db2.gz HEUVTTJPBOVKBV-PWSUYJOCSA-N 2 2 381.236 3.907 20 0 GHADLP CCc1noc(-c2ccc(CC[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)cc2)n1 ZINC000180172100 836102276 /nfs/dbraw/zinc/10/22/76/836102276.db2.gz JVXDNJMRVZMEEE-UHFFFAOYSA-N 2 2 396.457 3.848 20 0 GHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000109794857 836703269 /nfs/dbraw/zinc/70/32/69/836703269.db2.gz BHIKMHQVXMEGFH-QHCPKHFHSA-N 2 2 388.515 3.620 20 0 GHADLP Cc1ccc(C)c(OC2CC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001167178840 836815878 /nfs/dbraw/zinc/81/58/78/836815878.db2.gz MHMPJCUIBJPAEZ-VWLOTQADSA-N 2 2 394.559 3.784 20 0 GHADLP Cc1ccc(C)c(OC2CC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001167178840 836815884 /nfs/dbraw/zinc/81/58/84/836815884.db2.gz MHMPJCUIBJPAEZ-VWLOTQADSA-N 2 2 394.559 3.784 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000683426769 837144654 /nfs/dbraw/zinc/14/46/54/837144654.db2.gz YNTZGGYVJLQMOM-ICSRJNTNSA-N 2 2 384.568 3.626 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000683426769 837144658 /nfs/dbraw/zinc/14/46/58/837144658.db2.gz YNTZGGYVJLQMOM-ICSRJNTNSA-N 2 2 384.568 3.626 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000549770991 844248570 /nfs/dbraw/zinc/24/85/70/844248570.db2.gz KMFQVLDBYYDAHG-XXBNENTESA-N 2 2 395.547 3.929 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000549770991 844248578 /nfs/dbraw/zinc/24/85/78/844248578.db2.gz KMFQVLDBYYDAHG-XXBNENTESA-N 2 2 395.547 3.929 20 0 GHADLP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)c2)cc1 ZINC000067693903 837844278 /nfs/dbraw/zinc/84/42/78/837844278.db2.gz ZMXWILIGYQUSIN-FCHUYYIVSA-N 2 2 379.504 3.664 20 0 GHADLP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)c2)cc1 ZINC000067693903 837844300 /nfs/dbraw/zinc/84/43/00/837844300.db2.gz ZMXWILIGYQUSIN-FCHUYYIVSA-N 2 2 379.504 3.664 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655847606 838046280 /nfs/dbraw/zinc/04/62/80/838046280.db2.gz CIVYDDPQITUAAH-PMACEKPBSA-N 2 2 375.944 3.551 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655847606 838046292 /nfs/dbraw/zinc/04/62/92/838046292.db2.gz CIVYDDPQITUAAH-PMACEKPBSA-N 2 2 375.944 3.551 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3nc4ccccc4n3C(F)F)C2)CC1 ZINC000377914413 838153449 /nfs/dbraw/zinc/15/34/49/838153449.db2.gz PHHYGJCTUQBVOF-DLBZAZTESA-N 2 2 391.510 3.593 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3nc4ccccc4n3C(F)F)C2)CC1 ZINC000377914413 838153455 /nfs/dbraw/zinc/15/34/55/838153455.db2.gz PHHYGJCTUQBVOF-DLBZAZTESA-N 2 2 391.510 3.593 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000415951968 838308743 /nfs/dbraw/zinc/30/87/43/838308743.db2.gz FVDZXEBJZIOFJX-ROUUACIJSA-N 2 2 376.863 3.505 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000415951968 838308747 /nfs/dbraw/zinc/30/87/47/838308747.db2.gz FVDZXEBJZIOFJX-ROUUACIJSA-N 2 2 376.863 3.505 20 0 GHADLP COc1cc2c(cc1NC(=O)C[N@H+](C)CCCn1cc[nH+]c1)oc1ccccc12 ZINC000181113765 838720858 /nfs/dbraw/zinc/72/08/58/838720858.db2.gz DKEAEQDVNURUJG-UHFFFAOYSA-N 2 2 392.459 3.752 20 0 GHADLP COc1cc2c(cc1NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1)oc1ccccc12 ZINC000181113765 838720866 /nfs/dbraw/zinc/72/08/66/838720866.db2.gz DKEAEQDVNURUJG-UHFFFAOYSA-N 2 2 392.459 3.752 20 0 GHADLP Brc1ccc(-c2ccn(C[NH+]3CCC(n4cc[nH+]c4)CC3)n2)cc1 ZINC000160369472 838823708 /nfs/dbraw/zinc/82/37/08/838823708.db2.gz GAVBRGGHDQBKMB-UHFFFAOYSA-N 2 2 386.297 3.804 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2OCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000564579257 838870070 /nfs/dbraw/zinc/87/00/70/838870070.db2.gz MXJSKAWOEDOHCT-ZWKOTPCHSA-N 2 2 379.426 3.948 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2OCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000564579257 838870080 /nfs/dbraw/zinc/87/00/80/838870080.db2.gz MXJSKAWOEDOHCT-ZWKOTPCHSA-N 2 2 379.426 3.948 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(Cl)cc1C(F)(F)F)CC2 ZINC001143504984 839259592 /nfs/dbraw/zinc/25/95/92/839259592.db2.gz JOWPHOQYKYUGOU-UHFFFAOYSA-N 2 2 375.822 3.989 20 0 GHADLP Cc1ccc(-c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)s2)o1 ZINC000378614633 839426537 /nfs/dbraw/zinc/42/65/37/839426537.db2.gz GTGXQZZILOEQPA-QGZVFWFLSA-N 2 2 387.549 3.557 20 0 GHADLP Cc1ccc(-c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)s2)o1 ZINC000378614633 839426539 /nfs/dbraw/zinc/42/65/39/839426539.db2.gz GTGXQZZILOEQPA-QGZVFWFLSA-N 2 2 387.549 3.557 20 0 GHADLP CCC(CC)(C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)[NH2+][C@H](C)c1ccccc1 ZINC000580458351 839591022 /nfs/dbraw/zinc/59/10/22/839591022.db2.gz MBDSYTPEZUQGBC-MISYRCLQSA-N 2 2 380.598 3.841 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1F ZINC000275904824 839761811 /nfs/dbraw/zinc/76/18/11/839761811.db2.gz SWKXDAAUCBMVQQ-RZAIGCCYSA-N 2 2 385.321 3.617 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000580810602 840233835 /nfs/dbraw/zinc/23/38/35/840233835.db2.gz OTADJPOIAARIQH-INIZCTEOSA-N 2 2 387.911 3.592 20 0 GHADLP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000416913037 840275409 /nfs/dbraw/zinc/27/54/09/840275409.db2.gz KDXFFTGDDAEYGN-QFIPXVFZSA-N 2 2 391.519 3.554 20 0 GHADLP C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cccc21 ZINC000684089141 840301869 /nfs/dbraw/zinc/30/18/69/840301869.db2.gz MHNNWCMFBITQOR-HXUWFJFHSA-N 2 2 376.460 3.569 20 0 GHADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000563092781 844535514 /nfs/dbraw/zinc/53/55/14/844535514.db2.gz MUTMVSJHYMNBLO-ZWKOTPCHSA-N 2 2 391.519 3.523 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc4occ(C)c4c3)CC2)CC1 ZINC000581184515 840827052 /nfs/dbraw/zinc/82/70/52/840827052.db2.gz NUZRYCSQOHRWRK-UHFFFAOYSA-N 2 2 384.524 3.765 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc4occ(C)c4c3)CC2)CC1 ZINC000581184515 840827068 /nfs/dbraw/zinc/82/70/68/840827068.db2.gz NUZRYCSQOHRWRK-UHFFFAOYSA-N 2 2 384.524 3.765 20 0 GHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000430575817 841204660 /nfs/dbraw/zinc/20/46/60/841204660.db2.gz AIMUFRDIGGMXQI-XWFZLUIHSA-N 2 2 385.939 3.605 20 0 GHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000430575817 841204669 /nfs/dbraw/zinc/20/46/69/841204669.db2.gz AIMUFRDIGGMXQI-XWFZLUIHSA-N 2 2 385.939 3.605 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)c(C)c1 ZINC000417933622 841289255 /nfs/dbraw/zinc/28/92/55/841289255.db2.gz OJRAERHDHXCSAM-PGRDOPGGSA-N 2 2 391.519 3.760 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000430598069 841348065 /nfs/dbraw/zinc/34/80/65/841348065.db2.gz NPIFWTKZCSTXIK-CMKODMSKSA-N 2 2 381.520 3.652 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000430598069 841348081 /nfs/dbraw/zinc/34/80/81/841348081.db2.gz NPIFWTKZCSTXIK-CMKODMSKSA-N 2 2 381.520 3.652 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)CC(C)C ZINC000060536301 841369714 /nfs/dbraw/zinc/36/97/14/841369714.db2.gz BMHBWHHAMVGQIJ-SFHVURJKSA-N 2 2 378.561 3.605 20 0 GHADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCn2c(COc3cccnc3)cnc2[C@@H]1C ZINC001167828529 842113704 /nfs/dbraw/zinc/11/37/04/842113704.db2.gz ZFSIDDIRBKQIFX-MOPGFXCFSA-N 2 2 385.556 3.744 20 0 GHADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCn2c(COc3cccnc3)cnc2[C@@H]1C ZINC001167828529 842113707 /nfs/dbraw/zinc/11/37/07/842113707.db2.gz ZFSIDDIRBKQIFX-MOPGFXCFSA-N 2 2 385.556 3.744 20 0 GHADLP CN(C(=O)c1ccccc1OC1CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000581749207 842143414 /nfs/dbraw/zinc/14/34/14/842143414.db2.gz JZSVIYKXTULLRR-FCHUYYIVSA-N 2 2 399.579 3.637 20 0 GHADLP CN(C(=O)c1ccccc1OC1CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000581749207 842143420 /nfs/dbraw/zinc/14/34/20/842143420.db2.gz JZSVIYKXTULLRR-FCHUYYIVSA-N 2 2 399.579 3.637 20 0 GHADLP Fc1ccc(-c2noc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)n2)cc1F ZINC000278848434 842144875 /nfs/dbraw/zinc/14/48/75/842144875.db2.gz JZEIUAAWATZBCA-UHFFFAOYSA-N 2 2 399.445 3.927 20 0 GHADLP COc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1F ZINC000500448653 842476965 /nfs/dbraw/zinc/47/69/65/842476965.db2.gz RCCGRVXEMLZIRN-UHFFFAOYSA-N 2 2 391.918 3.790 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2cccc(C(C)(F)F)c2)([NH+]2CCCCC2)CC1 ZINC000187017915 843291181 /nfs/dbraw/zinc/29/11/81/843291181.db2.gz UZUXPKJYQYQMSU-UHFFFAOYSA-N 2 2 394.510 3.870 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000535657540 843350891 /nfs/dbraw/zinc/35/08/91/843350891.db2.gz CRWJXUWXPHAHCR-IRXDYDNUSA-N 2 2 377.941 3.638 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000535657540 843350903 /nfs/dbraw/zinc/35/09/03/843350903.db2.gz CRWJXUWXPHAHCR-IRXDYDNUSA-N 2 2 377.941 3.638 20 0 GHADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247329250 843413719 /nfs/dbraw/zinc/41/37/19/843413719.db2.gz GJCIYCRFSACFSY-CKEIUWERSA-N 2 2 391.313 3.556 20 0 GHADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247329250 843413725 /nfs/dbraw/zinc/41/37/25/843413725.db2.gz GJCIYCRFSACFSY-CKEIUWERSA-N 2 2 391.313 3.556 20 0 GHADLP Cc1nc2c(cccc2C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000279856229 843434047 /nfs/dbraw/zinc/43/40/47/843434047.db2.gz BGERPKPNKUEELA-VQTJNVASSA-N 2 2 398.551 3.545 20 0 GHADLP Cc1nc2c(cccc2C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000279856229 843434063 /nfs/dbraw/zinc/43/40/63/843434063.db2.gz BGERPKPNKUEELA-VQTJNVASSA-N 2 2 398.551 3.545 20 0 GHADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329434903 861419745 /nfs/dbraw/zinc/41/97/45/861419745.db2.gz JJOBOIRSUWLVFS-VQTJNVASSA-N 2 2 395.551 3.689 20 0 GHADLP CN(C(=O)Nc1ccccc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165547030 843554721 /nfs/dbraw/zinc/55/47/21/843554721.db2.gz HPQNWCVIVMULFN-PMACEKPBSA-N 2 2 376.520 3.627 20 0 GHADLP CN(C(=O)Nc1ccccc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165547030 843554726 /nfs/dbraw/zinc/55/47/26/843554726.db2.gz HPQNWCVIVMULFN-PMACEKPBSA-N 2 2 376.520 3.627 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000549613485 843596738 /nfs/dbraw/zinc/59/67/38/843596738.db2.gz IFUWNBFXRPTLAT-LAUBAEHRSA-N 2 2 397.494 3.734 20 0 GHADLP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cc(Cl)ccc1Cl ZINC000604185508 843647372 /nfs/dbraw/zinc/64/73/72/843647372.db2.gz XANFXAUVDHMUMF-UKRRQHHQSA-N 2 2 399.366 3.522 20 0 GHADLP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cc(Cl)ccc1Cl ZINC000604185508 843647379 /nfs/dbraw/zinc/64/73/79/843647379.db2.gz XANFXAUVDHMUMF-UKRRQHHQSA-N 2 2 399.366 3.522 20 0 GHADLP Fc1ccccc1SCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512408879 843719016 /nfs/dbraw/zinc/71/90/16/843719016.db2.gz KOHPUWCQSCKJBG-NRFANRHFSA-N 2 2 399.579 3.810 20 0 GHADLP Fc1ccccc1SCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512408879 843719020 /nfs/dbraw/zinc/71/90/20/843719020.db2.gz KOHPUWCQSCKJBG-NRFANRHFSA-N 2 2 399.579 3.810 20 0 GHADLP CO[C@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CCC1 ZINC000660536394 843719359 /nfs/dbraw/zinc/71/93/59/843719359.db2.gz QCNOMANWPJEDTR-MRXNPFEDSA-N 2 2 382.302 3.556 20 0 GHADLP CO[C@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CCC1 ZINC000660536394 843719367 /nfs/dbraw/zinc/71/93/67/843719367.db2.gz QCNOMANWPJEDTR-MRXNPFEDSA-N 2 2 382.302 3.556 20 0 GHADLP COc1cc(Cl)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1Cl ZINC000512432633 843785881 /nfs/dbraw/zinc/78/58/81/843785881.db2.gz HICXMWBUNHBACT-UHFFFAOYSA-N 2 2 387.351 3.936 20 0 GHADLP OCC1([C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c2ccccc2)CCC1 ZINC000433299911 843987694 /nfs/dbraw/zinc/98/76/94/843987694.db2.gz RWUKGXFHUNHWSF-DNQXCXABSA-N 2 2 394.559 3.771 20 0 GHADLP OCC1([C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ccccc2)CCC1 ZINC000433299911 843987696 /nfs/dbraw/zinc/98/76/96/843987696.db2.gz RWUKGXFHUNHWSF-DNQXCXABSA-N 2 2 394.559 3.771 20 0 GHADLP [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000237973543 843992335 /nfs/dbraw/zinc/99/23/35/843992335.db2.gz YCNYYJCTBXRTRE-IFMALSPDSA-N 2 2 388.515 3.732 20 0 GHADLP [NH3+][C@@H]1CCC[C@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000237977314 843992796 /nfs/dbraw/zinc/99/27/96/843992796.db2.gz YCNYYJCTBXRTRE-RBBKRZOGSA-N 2 2 388.515 3.732 20 0 GHADLP O=C1[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000181140346 844805511 /nfs/dbraw/zinc/80/55/11/844805511.db2.gz SHZMDQCWCBXMCE-QGZVFWFLSA-N 2 2 379.291 3.632 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4cc(N5CCCC5)[nH+]cn4)C3)C2)cc1 ZINC000433747660 845295590 /nfs/dbraw/zinc/29/55/90/845295590.db2.gz GSBLPHIHHANUGC-HSZRJFAPSA-N 2 2 377.536 3.569 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@]3(CCN(c4cc(N5CCCC5)[nH+]cn4)C3)C2)cc1 ZINC000433747660 845295601 /nfs/dbraw/zinc/29/56/01/845295601.db2.gz GSBLPHIHHANUGC-HSZRJFAPSA-N 2 2 377.536 3.569 20 0 GHADLP CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)[NH+](C)C)cc1 ZINC000513396326 845351717 /nfs/dbraw/zinc/35/17/17/845351717.db2.gz PWPGEAIRDUMYCG-NHCUHLMSSA-N 2 2 397.567 3.800 20 0 GHADLP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1O ZINC000277254464 845432280 /nfs/dbraw/zinc/43/22/80/845432280.db2.gz PVOAIZMPNGANJJ-MSOLQXFVSA-N 2 2 383.536 3.932 20 0 GHADLP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434010036 845723394 /nfs/dbraw/zinc/72/33/94/845723394.db2.gz DZTNGOFSIDWFGD-PXNSSMCTSA-N 2 2 387.911 3.631 20 0 GHADLP C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434010036 845723398 /nfs/dbraw/zinc/72/33/98/845723398.db2.gz DZTNGOFSIDWFGD-PXNSSMCTSA-N 2 2 387.911 3.631 20 0 GHADLP C[NH+](Cc1cc(Cl)c2c(c1)OCCO2)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434010036 845723400 /nfs/dbraw/zinc/72/34/00/845723400.db2.gz DZTNGOFSIDWFGD-PXNSSMCTSA-N 2 2 387.911 3.631 20 0 GHADLP C[NH+](Cc1cc(Cl)c2c(c1)OCCO2)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434010036 845723406 /nfs/dbraw/zinc/72/34/06/845723406.db2.gz DZTNGOFSIDWFGD-PXNSSMCTSA-N 2 2 387.911 3.631 20 0 GHADLP C[N@@H+](Cc1cnc(-c2ccncc2)s1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434023435 846162708 /nfs/dbraw/zinc/16/27/08/846162708.db2.gz DTMJUBSWWCKIBJ-ICSRJNTNSA-N 2 2 379.533 3.725 20 0 GHADLP C[N@H+](Cc1cnc(-c2ccncc2)s1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434023435 846162714 /nfs/dbraw/zinc/16/27/14/846162714.db2.gz DTMJUBSWWCKIBJ-ICSRJNTNSA-N 2 2 379.533 3.725 20 0 GHADLP C[NH+](Cc1cnc(-c2ccncc2)s1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434023435 846162722 /nfs/dbraw/zinc/16/27/22/846162722.db2.gz DTMJUBSWWCKIBJ-ICSRJNTNSA-N 2 2 379.533 3.725 20 0 GHADLP C[NH+](Cc1cnc(-c2ccncc2)s1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434023435 846162724 /nfs/dbraw/zinc/16/27/24/846162724.db2.gz DTMJUBSWWCKIBJ-ICSRJNTNSA-N 2 2 379.533 3.725 20 0 GHADLP CN(C(=O)CC1(C(F)(F)F)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502530564 846163859 /nfs/dbraw/zinc/16/38/59/846163859.db2.gz XUSFOBZTJXVGQD-IRXDYDNUSA-N 2 2 389.506 3.515 20 0 GHADLP CN(C(=O)CC1(C(F)(F)F)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502530564 846163866 /nfs/dbraw/zinc/16/38/66/846163866.db2.gz XUSFOBZTJXVGQD-IRXDYDNUSA-N 2 2 389.506 3.515 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@@H](C(=O)OC(C)(C)C)CC[C@H]3C)sc2C1 ZINC000421358356 846171122 /nfs/dbraw/zinc/17/11/22/846171122.db2.gz BTWWOELPODLZBP-CVEARBPZSA-N 2 2 393.597 3.852 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@@H](C(=O)OC(C)(C)C)CC[C@H]3C)sc2C1 ZINC000421358356 846171125 /nfs/dbraw/zinc/17/11/25/846171125.db2.gz BTWWOELPODLZBP-CVEARBPZSA-N 2 2 393.597 3.852 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@@H](C(=O)OC(C)(C)C)CC[C@H]3C)sc2C1 ZINC000421358356 846171130 /nfs/dbraw/zinc/17/11/30/846171130.db2.gz BTWWOELPODLZBP-CVEARBPZSA-N 2 2 393.597 3.852 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@@H](C(=O)OC(C)(C)C)CC[C@H]3C)sc2C1 ZINC000421358356 846171135 /nfs/dbraw/zinc/17/11/35/846171135.db2.gz BTWWOELPODLZBP-CVEARBPZSA-N 2 2 393.597 3.852 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc(F)c3OC(F)F)c2)CCO1 ZINC000657330174 846272663 /nfs/dbraw/zinc/27/26/63/846272663.db2.gz ROAXUAIVCTUVAE-OAHLLOKOSA-N 2 2 394.437 3.938 20 0 GHADLP FC(F)(F)COc1cccc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000280192097 846318942 /nfs/dbraw/zinc/31/89/42/846318942.db2.gz HKVLUIQOLKOAPF-UHFFFAOYSA-N 2 2 379.426 3.824 20 0 GHADLP Cc1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cn2cc[nH+]c12 ZINC000502750765 846432659 /nfs/dbraw/zinc/43/26/59/846432659.db2.gz XXEKGTOXNNCCHC-GOSISDBHSA-N 2 2 384.430 3.739 20 0 GHADLP Cc1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cn2cc[nH+]c12 ZINC000502750765 846432668 /nfs/dbraw/zinc/43/26/68/846432668.db2.gz XXEKGTOXNNCCHC-GOSISDBHSA-N 2 2 384.430 3.739 20 0 GHADLP [NH3+]Cc1ccc(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC000582181300 846594304 /nfs/dbraw/zinc/59/43/04/846594304.db2.gz PMTRCANQCAQZBT-UHFFFAOYSA-N 2 2 375.476 3.667 20 0 GHADLP C[NH+](C)[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000124809720 846600930 /nfs/dbraw/zinc/60/09/30/846600930.db2.gz OYTKBJJPRKLGFS-HSZRJFAPSA-N 2 2 387.518 3.864 20 0 GHADLP CN(C)[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000124809720 846600937 /nfs/dbraw/zinc/60/09/37/846600937.db2.gz OYTKBJJPRKLGFS-HSZRJFAPSA-N 2 2 387.518 3.864 20 0 GHADLP Cc1ccc(-c2cc(C[NH+]3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)on2)cc1 ZINC000501112258 846659549 /nfs/dbraw/zinc/65/95/49/846659549.db2.gz UKJUPXWUMYMKTR-PMACEKPBSA-N 2 2 382.552 3.640 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(C)c(Cl)cc3C)CC2)CC1 ZINC000422027144 846757748 /nfs/dbraw/zinc/75/77/48/846757748.db2.gz VYTWSTXNFCVZBQ-UHFFFAOYSA-N 2 2 377.960 3.589 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(C)c(Cl)cc3C)CC2)CC1 ZINC000422027144 846757759 /nfs/dbraw/zinc/75/77/59/846757759.db2.gz VYTWSTXNFCVZBQ-UHFFFAOYSA-N 2 2 377.960 3.589 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)NCC2(c3ccc(F)cc3)CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000503053410 846769887 /nfs/dbraw/zinc/76/98/87/846769887.db2.gz PKRGHVBZYUJQHW-WIYYLYMNSA-N 2 2 398.526 3.533 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2(c3ccc(F)cc3)CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000503053410 846769892 /nfs/dbraw/zinc/76/98/92/846769892.db2.gz PKRGHVBZYUJQHW-WIYYLYMNSA-N 2 2 398.526 3.533 20 0 GHADLP COc1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c(OC2CCCC2)c1 ZINC000657386622 846803122 /nfs/dbraw/zinc/80/31/22/846803122.db2.gz FMJMKGLOSCPJCL-UHFFFAOYSA-N 2 2 378.476 3.887 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000422148893 846853785 /nfs/dbraw/zinc/85/37/85/846853785.db2.gz XQXVMONPOBSWSD-KRWDZBQOSA-N 2 2 392.975 3.603 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000422148893 846853791 /nfs/dbraw/zinc/85/37/91/846853791.db2.gz XQXVMONPOBSWSD-KRWDZBQOSA-N 2 2 392.975 3.603 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3cccc(C(C)C)c3)CC2)CC1 ZINC000422176326 846874482 /nfs/dbraw/zinc/87/44/82/846874482.db2.gz HHOMJSNAEBCUBQ-UHFFFAOYSA-N 2 2 386.584 3.512 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3cccc(C(C)C)c3)CC2)CC1 ZINC000422176326 846874493 /nfs/dbraw/zinc/87/44/93/846874493.db2.gz HHOMJSNAEBCUBQ-UHFFFAOYSA-N 2 2 386.584 3.512 20 0 GHADLP c1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@H](c4cccnc4)C3)CC2)cc1 ZINC000501446662 846933594 /nfs/dbraw/zinc/93/35/94/846933594.db2.gz BXZUWSQCSXPRCC-GMAHTHKFSA-N 2 2 378.564 3.910 20 0 GHADLP Cc1cc(CNC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc(C)[nH+]1 ZINC000422193627 847035299 /nfs/dbraw/zinc/03/52/99/847035299.db2.gz SCKIBZNFWXUNTC-IRXDYDNUSA-N 2 2 380.536 3.654 20 0 GHADLP CCn1cc(Cl)cc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001268968196 847102823 /nfs/dbraw/zinc/10/28/23/847102823.db2.gz ZJNJUWPKTYAGHM-MOPGFXCFSA-N 2 2 394.991 3.571 20 0 GHADLP CCn1cc(Cl)cc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001268968196 847102830 /nfs/dbraw/zinc/10/28/30/847102830.db2.gz ZJNJUWPKTYAGHM-MOPGFXCFSA-N 2 2 394.991 3.571 20 0 GHADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)C1CCCCC1 ZINC000420354189 847134931 /nfs/dbraw/zinc/13/49/31/847134931.db2.gz CLWIJEXHXHIRFQ-HNNXBMFYSA-N 2 2 388.737 3.538 20 0 GHADLP Cc1ccc([C@@H](NC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)c2cccs2)cc1 ZINC000420362381 847139055 /nfs/dbraw/zinc/13/90/55/847139055.db2.gz OCGVKUSKRBVXBF-SIKLNZKXSA-N 2 2 385.577 3.759 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)c2cccs2)cc1 ZINC000420362378 847139219 /nfs/dbraw/zinc/13/92/19/847139219.db2.gz OCGVKUSKRBVXBF-KNQAVFIVSA-N 2 2 385.577 3.759 20 0 GHADLP [NH3+]C[C@@H]([NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CCCCC1 ZINC000420365061 847142362 /nfs/dbraw/zinc/14/23/62/847142362.db2.gz KRRPKVVBNMMAEQ-LJQANCHMSA-N 2 2 397.485 3.694 20 0 GHADLP [NH3+]C[C@H]([NH2+]CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C1CCCCC1 ZINC000420366876 847142394 /nfs/dbraw/zinc/14/23/94/847142394.db2.gz UYXBDRLZGUFWOB-GHTZIAJQSA-N 2 2 389.540 3.590 20 0 GHADLP Brc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)OCCCO2 ZINC000420378065 847147828 /nfs/dbraw/zinc/14/78/28/847147828.db2.gz BBPZGXHNJBRUSF-WMLDXEAASA-N 2 2 395.341 3.574 20 0 GHADLP Brc1cc2c(cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)OCCCO2 ZINC000420378065 847147837 /nfs/dbraw/zinc/14/78/37/847147837.db2.gz BBPZGXHNJBRUSF-WMLDXEAASA-N 2 2 395.341 3.574 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c2cccs2)cc1 ZINC000420413043 847162289 /nfs/dbraw/zinc/16/22/89/847162289.db2.gz ZLCVAEXKXRODEA-JTAQYXEDSA-N 2 2 397.588 3.726 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c2cccs2)cc1 ZINC000420413043 847162298 /nfs/dbraw/zinc/16/22/98/847162298.db2.gz ZLCVAEXKXRODEA-JTAQYXEDSA-N 2 2 397.588 3.726 20 0 GHADLP Fc1ccc(-n2ccc(CC[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)n2)cc1 ZINC000272913854 847206618 /nfs/dbraw/zinc/20/66/18/847206618.db2.gz QXCWOYSDIOLVOI-UHFFFAOYSA-N 2 2 384.421 3.560 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000273504097 847358118 /nfs/dbraw/zinc/35/81/18/847358118.db2.gz ZJWNVVTWCWBGHV-UHFFFAOYSA-N 2 2 394.968 3.874 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000273504097 847358126 /nfs/dbraw/zinc/35/81/26/847358126.db2.gz ZJWNVVTWCWBGHV-UHFFFAOYSA-N 2 2 394.968 3.874 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1c[nH]c2ccc(F)cc12 ZINC000625379969 861786895 /nfs/dbraw/zinc/78/68/95/861786895.db2.gz MGDZPHZBCJFAKL-UHFFFAOYSA-N 2 2 380.467 3.902 20 0 GHADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(OC(F)F)c(OC(F)F)c1)C2 ZINC001279115898 847458322 /nfs/dbraw/zinc/45/83/22/847458322.db2.gz GVHOTXIHTQZASO-SFHVURJKSA-N 2 2 376.394 3.807 20 0 GHADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(OC(F)F)c(OC(F)F)c1)C2 ZINC001279115898 847458326 /nfs/dbraw/zinc/45/83/26/847458326.db2.gz GVHOTXIHTQZASO-SFHVURJKSA-N 2 2 376.394 3.807 20 0 GHADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(OC(F)F)c(OC(F)F)c1)C2 ZINC001279115898 847458333 /nfs/dbraw/zinc/45/83/33/847458333.db2.gz GVHOTXIHTQZASO-SFHVURJKSA-N 2 2 376.394 3.807 20 0 GHADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(OC(F)F)c(OC(F)F)c1)C2 ZINC001279115898 847458338 /nfs/dbraw/zinc/45/83/38/847458338.db2.gz GVHOTXIHTQZASO-SFHVURJKSA-N 2 2 376.394 3.807 20 0 GHADLP O=C(c1ccccc1)C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420906309 847523414 /nfs/dbraw/zinc/52/34/14/847523414.db2.gz SISXUYUKEPVDGY-UHFFFAOYSA-N 2 2 378.516 3.614 20 0 GHADLP OC(C[NH+]1CCC[C@H](CC(F)(F)F)C1)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420951129 847571162 /nfs/dbraw/zinc/57/11/62/847571162.db2.gz QNIMOXQRZUZVOY-ZIAGYGMSSA-N 2 2 390.412 3.676 20 0 GHADLP OC(C[NH+]1CCC[C@H](CC(F)(F)F)C1)C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420951129 847571168 /nfs/dbraw/zinc/57/11/68/847571168.db2.gz QNIMOXQRZUZVOY-ZIAGYGMSSA-N 2 2 390.412 3.676 20 0 GHADLP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1OC ZINC000502260454 847669030 /nfs/dbraw/zinc/66/90/30/847669030.db2.gz XAPHBZQMTOWLFG-GOSISDBHSA-N 2 2 379.504 3.978 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407233 847670685 /nfs/dbraw/zinc/67/06/85/847670685.db2.gz OXOXTMOKTUXMJF-NSHGMRRFSA-N 2 2 392.547 3.765 20 0 GHADLP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407233 847670689 /nfs/dbraw/zinc/67/06/89/847670689.db2.gz OXOXTMOKTUXMJF-NSHGMRRFSA-N 2 2 392.547 3.765 20 0 GHADLP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502321335 847734408 /nfs/dbraw/zinc/73/44/08/847734408.db2.gz XMRCZTHEJSKIOV-MJGOQNOKSA-N 2 2 397.519 3.539 20 0 GHADLP COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502321335 847734419 /nfs/dbraw/zinc/73/44/19/847734419.db2.gz XMRCZTHEJSKIOV-MJGOQNOKSA-N 2 2 397.519 3.539 20 0 GHADLP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422697883 847772156 /nfs/dbraw/zinc/77/21/56/847772156.db2.gz WPAWDIRBCCCHLG-LEWJYISDSA-N 3 2 383.536 3.650 20 0 GHADLP Cn1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(-c2ccccc2)n1 ZINC000502344395 847778883 /nfs/dbraw/zinc/77/88/83/847778883.db2.gz ICQDEJUDFKJRSI-LJQANCHMSA-N 2 2 375.520 4.000 20 0 GHADLP Cn1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(-c2ccccc2)n1 ZINC000502344395 847778890 /nfs/dbraw/zinc/77/88/90/847778890.db2.gz ICQDEJUDFKJRSI-LJQANCHMSA-N 2 2 375.520 4.000 20 0 GHADLP Cn1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(-c2ccccc2)n1 ZINC000502344394 847779176 /nfs/dbraw/zinc/77/91/76/847779176.db2.gz ICQDEJUDFKJRSI-IBGZPJMESA-N 2 2 375.520 4.000 20 0 GHADLP Cn1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(-c2ccccc2)n1 ZINC000502344394 847779181 /nfs/dbraw/zinc/77/91/81/847779181.db2.gz ICQDEJUDFKJRSI-IBGZPJMESA-N 2 2 375.520 4.000 20 0 GHADLP COc1ccc([C@H]([NH2+]CCCc2ccc(OC)c(OC)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422720238 847795823 /nfs/dbraw/zinc/79/58/23/847795823.db2.gz MKCGDWTYZKLDTM-OFNKIYASSA-N 2 2 384.520 3.728 20 0 GHADLP C[N@@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764230 847823762 /nfs/dbraw/zinc/82/37/62/847823762.db2.gz PPQWPIOXVBWYRS-BJYDCXRDSA-N 3 2 381.486 3.961 20 0 GHADLP C[N@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764230 847823771 /nfs/dbraw/zinc/82/37/71/847823771.db2.gz PPQWPIOXVBWYRS-BJYDCXRDSA-N 3 2 381.486 3.961 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422842373 847862465 /nfs/dbraw/zinc/86/24/65/847862465.db2.gz FQMLMHFVXBRRTN-NOZRDPDXSA-N 3 2 391.559 3.539 20 0 GHADLP CC[C@H](NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422894139 847888246 /nfs/dbraw/zinc/88/82/46/847888246.db2.gz SIJSTIFCRATHDQ-OALUTQOASA-N 2 2 380.374 3.534 20 0 GHADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1Cl ZINC000604159482 861875393 /nfs/dbraw/zinc/87/53/93/861875393.db2.gz OKPWPJUROGJFQB-ZFWWWQNUSA-N 2 2 399.366 3.522 20 0 GHADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1Cl ZINC000604159482 861875413 /nfs/dbraw/zinc/87/54/13/861875413.db2.gz OKPWPJUROGJFQB-ZFWWWQNUSA-N 2 2 399.366 3.522 20 0 GHADLP FC(F)COc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192354999 861925603 /nfs/dbraw/zinc/92/56/03/861925603.db2.gz VCDYEPVGEIMTOB-NRFANRHFSA-N 2 2 390.474 3.711 20 0 GHADLP FC(F)COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192354999 861925615 /nfs/dbraw/zinc/92/56/15/861925615.db2.gz VCDYEPVGEIMTOB-NRFANRHFSA-N 2 2 390.474 3.711 20 0 GHADLP C[C@@H]1C[C@@H](N2CC[NH+](Cc3ccccn3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168046231 862040062 /nfs/dbraw/zinc/04/00/62/862040062.db2.gz MXLZIRNMKSKRNX-RUMRUAAYSA-N 2 2 378.564 3.641 20 0 GHADLP C[C@@H]1C[C@@H](N2CC[NH+](Cc3ccccn3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168046231 862040079 /nfs/dbraw/zinc/04/00/79/862040079.db2.gz MXLZIRNMKSKRNX-RUMRUAAYSA-N 2 2 378.564 3.641 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000423130610 849752804 /nfs/dbraw/zinc/75/28/04/849752804.db2.gz MYGVAIJKMRKDAP-VOQZNFBZSA-N 2 2 388.939 3.955 20 0 GHADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423262653 849820814 /nfs/dbraw/zinc/82/08/14/849820814.db2.gz NCHIWIRIDAQFKY-KKSFZXQISA-N 2 2 378.582 3.961 20 0 GHADLP COC[C@]1(C[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CCC[NH2+]1 ZINC000423439262 849932363 /nfs/dbraw/zinc/93/23/63/849932363.db2.gz VJPPJUARUDJCHR-OXQOHEQNSA-N 2 2 375.513 3.685 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(CCC[NH3+])CC3CCCC3)n2)C1 ZINC000414747186 849945538 /nfs/dbraw/zinc/94/55/38/849945538.db2.gz GUZAGHMXTBAHOJ-MRXNPFEDSA-N 2 2 393.601 3.748 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(CCC[NH3+])CC3CCCC3)n2)C1 ZINC000414747186 849945542 /nfs/dbraw/zinc/94/55/42/849945542.db2.gz GUZAGHMXTBAHOJ-MRXNPFEDSA-N 2 2 393.601 3.748 20 0 GHADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000434984045 849971616 /nfs/dbraw/zinc/97/16/16/849971616.db2.gz YIVBJAPQBXDXSH-JOCHJYFZSA-N 2 2 388.515 3.689 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2c(=O)[nH]1 ZINC000647933765 850027811 /nfs/dbraw/zinc/02/78/11/850027811.db2.gz IYDWCMBBPXVSLL-GHTZIAJQSA-N 2 2 376.504 3.508 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nc2ccccc2c(=O)[nH]1 ZINC000647933765 850027815 /nfs/dbraw/zinc/02/78/15/850027815.db2.gz IYDWCMBBPXVSLL-GHTZIAJQSA-N 2 2 376.504 3.508 20 0 GHADLP CN(C(=O)c1cc[nH]c1C1CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486827014 850147688 /nfs/dbraw/zinc/14/76/88/850147688.db2.gz XLQWTDDWOANVMR-NHCUHLMSSA-N 2 2 386.584 3.691 20 0 GHADLP CN(C(=O)c1cc[nH]c1C1CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486827014 850147697 /nfs/dbraw/zinc/14/76/97/850147697.db2.gz XLQWTDDWOANVMR-NHCUHLMSSA-N 2 2 386.584 3.691 20 0 GHADLP CC(C)C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000424325745 850363837 /nfs/dbraw/zinc/36/38/37/850363837.db2.gz MTMHUPHDKUQIJU-SBHAEUEKSA-N 2 2 389.584 3.886 20 0 GHADLP CC(C)C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000424325745 850363843 /nfs/dbraw/zinc/36/38/43/850363843.db2.gz MTMHUPHDKUQIJU-SBHAEUEKSA-N 2 2 389.584 3.886 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC(C)(C)C(=O)OC(C)(C)C ZINC000424325804 850364508 /nfs/dbraw/zinc/36/45/08/850364508.db2.gz MXZYHLLEDHHVGX-MJGOQNOKSA-N 2 2 375.557 3.640 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC(C)(C)C(=O)OC(C)(C)C ZINC000424325804 850364511 /nfs/dbraw/zinc/36/45/11/850364511.db2.gz MXZYHLLEDHHVGX-MJGOQNOKSA-N 2 2 375.557 3.640 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2cc(C)cc(C[NH3+])c2)c(C)c1 ZINC000424437779 850449888 /nfs/dbraw/zinc/44/98/88/850449888.db2.gz ONBGILGGXHOJDC-OAQYLSRUSA-N 2 2 377.492 3.830 20 0 GHADLP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000424424913 850459311 /nfs/dbraw/zinc/45/93/11/850459311.db2.gz IWVPXGPQQNRPAY-OALUTQOASA-N 2 2 390.890 3.813 20 0 GHADLP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000424424913 850459317 /nfs/dbraw/zinc/45/93/17/850459317.db2.gz IWVPXGPQQNRPAY-OALUTQOASA-N 2 2 390.890 3.813 20 0 GHADLP COc1cccc(Sc2ccccc2C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000668740530 850461140 /nfs/dbraw/zinc/46/11/40/850461140.db2.gz UZIVCMRULRIHBW-HXUWFJFHSA-N 2 2 398.572 3.877 20 0 GHADLP COc1cccc(Sc2ccccc2C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000668740530 850461145 /nfs/dbraw/zinc/46/11/45/850461145.db2.gz UZIVCMRULRIHBW-HXUWFJFHSA-N 2 2 398.572 3.877 20 0 GHADLP Cn1ccnc1C[N@H+](Cc1cc(Cl)cc2cccnc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000435422610 850501022 /nfs/dbraw/zinc/50/10/22/850501022.db2.gz MRUTUCAOPJULEY-LJQANCHMSA-N 2 2 395.938 3.766 20 0 GHADLP Cn1ccnc1C[N@@H+](Cc1cc(Cl)cc2cccnc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000435422610 850501035 /nfs/dbraw/zinc/50/10/35/850501035.db2.gz MRUTUCAOPJULEY-LJQANCHMSA-N 2 2 395.938 3.766 20 0 GHADLP CCCCOc1ccc(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435427669 850509775 /nfs/dbraw/zinc/50/97/75/850509775.db2.gz NRTKSUIBEQBTOP-OAQYLSRUSA-N 2 2 382.552 3.743 20 0 GHADLP CCCCOc1ccc(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435427669 850509781 /nfs/dbraw/zinc/50/97/81/850509781.db2.gz NRTKSUIBEQBTOP-OAQYLSRUSA-N 2 2 382.552 3.743 20 0 GHADLP C[C@H]1CCN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000519101448 850626548 /nfs/dbraw/zinc/62/65/48/850626548.db2.gz XGCVYKJVLKAETR-PZJWPPBQSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@H]1CCN(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000519101448 850626551 /nfs/dbraw/zinc/62/65/51/850626551.db2.gz XGCVYKJVLKAETR-PZJWPPBQSA-N 2 2 395.551 3.530 20 0 GHADLP CC(C)C1CCC([NH+]2CCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC2)CC1 ZINC000439999251 850659447 /nfs/dbraw/zinc/65/94/47/850659447.db2.gz XAFLGCSZBYKPSU-UHFFFAOYSA-N 2 2 394.563 3.904 20 0 GHADLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CCO1 ZINC000668784801 850764889 /nfs/dbraw/zinc/76/48/89/850764889.db2.gz ILASAAGGTDIOAO-NRFANRHFSA-N 2 2 384.568 3.712 20 0 GHADLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CCO1 ZINC000668784801 850764900 /nfs/dbraw/zinc/76/49/00/850764900.db2.gz ILASAAGGTDIOAO-NRFANRHFSA-N 2 2 384.568 3.712 20 0 GHADLP O=C(CCCn1cc[nH+]c1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000673940279 862209677 /nfs/dbraw/zinc/20/96/77/862209677.db2.gz VLCDKSPUXVTYGQ-UHFFFAOYSA-N 2 2 380.536 3.711 20 0 GHADLP O=C(CCCn1cc[nH+]c1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000673940279 862209698 /nfs/dbraw/zinc/20/96/98/862209698.db2.gz VLCDKSPUXVTYGQ-UHFFFAOYSA-N 2 2 380.536 3.711 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccccc2Br)C[C@@H]2CCCOC2)CC1 ZINC000515564386 851195475 /nfs/dbraw/zinc/19/54/75/851195475.db2.gz LAIGPNDZIFRNLC-INIZCTEOSA-N 2 2 381.358 3.772 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccccc2Br)C[C@@H]2CCCOC2)CC1 ZINC000515564386 851195482 /nfs/dbraw/zinc/19/54/82/851195482.db2.gz LAIGPNDZIFRNLC-INIZCTEOSA-N 2 2 381.358 3.772 20 0 GHADLP Fc1ccccc1-n1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000434660616 851437734 /nfs/dbraw/zinc/43/77/34/851437734.db2.gz ANSWLUFGCXMHPF-UHFFFAOYSA-N 2 2 379.483 3.924 20 0 GHADLP O=C1[C@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCN1c1cccc(F)c1 ZINC000434686065 851476064 /nfs/dbraw/zinc/47/60/64/851476064.db2.gz RCKPXWRYRWKUQD-OAQYLSRUSA-N 2 2 396.510 3.734 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434690900 851480664 /nfs/dbraw/zinc/48/06/64/851480664.db2.gz LHPIYHZYKMUWFD-GOSISDBHSA-N 2 2 380.536 3.618 20 0 GHADLP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000111056155 851517917 /nfs/dbraw/zinc/51/79/17/851517917.db2.gz IKSWMGLSWRMPGD-NHCUHLMSSA-N 2 2 387.568 3.652 20 0 GHADLP O=C(c1cccc(Cl)c1)N1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000101545424 851668502 /nfs/dbraw/zinc/66/85/02/851668502.db2.gz VWEFMFQEUHCQJG-UHFFFAOYSA-N 2 2 394.906 3.874 20 0 GHADLP O=C(c1cccc(Cl)c1)N1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000101545424 851668505 /nfs/dbraw/zinc/66/85/05/851668505.db2.gz VWEFMFQEUHCQJG-UHFFFAOYSA-N 2 2 394.906 3.874 20 0 GHADLP CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000550143157 851743100 /nfs/dbraw/zinc/74/31/00/851743100.db2.gz WOYFGXBJQLOWKU-HXUWFJFHSA-N 2 2 380.467 3.538 20 0 GHADLP CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000550143157 851743105 /nfs/dbraw/zinc/74/31/05/851743105.db2.gz WOYFGXBJQLOWKU-HXUWFJFHSA-N 2 2 380.467 3.538 20 0 GHADLP Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000488998548 851916123 /nfs/dbraw/zinc/91/61/23/851916123.db2.gz XJWDYZPBGXJWPQ-OALUTQOASA-N 2 2 383.580 3.651 20 0 GHADLP Cc1c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccn1C(C)C ZINC000489133009 852052303 /nfs/dbraw/zinc/05/23/03/852052303.db2.gz WFIMUNIORCXMTK-VXKWHMMOSA-N 2 2 388.600 3.787 20 0 GHADLP Cc1c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccn1C(C)C ZINC000489133009 852052306 /nfs/dbraw/zinc/05/23/06/852052306.db2.gz WFIMUNIORCXMTK-VXKWHMMOSA-N 2 2 388.600 3.787 20 0 GHADLP CN(C(=O)c1cc(F)ccc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489148864 852067339 /nfs/dbraw/zinc/06/73/39/852067339.db2.gz QOJBJSYBGWBNAI-VQTJNVASSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1cc(F)ccc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489148864 852067345 /nfs/dbraw/zinc/06/73/45/852067345.db2.gz QOJBJSYBGWBNAI-VQTJNVASSA-N 2 2 395.950 3.888 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccsc1 ZINC000604577907 862317151 /nfs/dbraw/zinc/31/71/51/862317151.db2.gz OOHBRHXCYLMKIR-FQEVSTJZSA-N 2 2 397.548 3.816 20 0 GHADLP CC(C)c1ccccc1OC[C@H](O)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000517555875 852093461 /nfs/dbraw/zinc/09/34/61/852093461.db2.gz AOYZTMIDFKGMHZ-OAQYLSRUSA-N 2 2 379.504 3.584 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[NH+]2CCCC2)cc1 ZINC000489706433 852537155 /nfs/dbraw/zinc/53/71/55/852537155.db2.gz SWSDCAANNJCIAH-HSZRJFAPSA-N 2 2 388.515 3.807 20 0 GHADLP CC(C)[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1Cl ZINC000604656231 862372385 /nfs/dbraw/zinc/37/23/85/862372385.db2.gz IKKYBKNUPCKBBP-OXQOHEQNSA-N 2 2 392.975 3.505 20 0 GHADLP CC(C)[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1Cl ZINC000604656231 862372406 /nfs/dbraw/zinc/37/24/06/862372406.db2.gz IKKYBKNUPCKBBP-OXQOHEQNSA-N 2 2 392.975 3.505 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000507213669 852676517 /nfs/dbraw/zinc/67/65/17/852676517.db2.gz PAUKHYAVRNZDJT-WWTUQBGBSA-N 2 2 384.351 3.728 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000507213669 852676523 /nfs/dbraw/zinc/67/65/23/852676523.db2.gz PAUKHYAVRNZDJT-WWTUQBGBSA-N 2 2 384.351 3.728 20 0 GHADLP COC[C@]1(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CCC[NH2+]1 ZINC000414941087 852724014 /nfs/dbraw/zinc/72/40/14/852724014.db2.gz IGEWVDWNJVECLL-JOCHJYFZSA-N 2 2 396.560 3.518 20 0 GHADLP Cc1ccc([C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c2ccccc2)cc1 ZINC000490145292 852790626 /nfs/dbraw/zinc/79/06/26/852790626.db2.gz SPEJXZFLVFDKKR-DHIUTWEWSA-N 2 2 379.548 3.617 20 0 GHADLP Cc1ccc([C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c2ccccc2)cc1 ZINC000490145292 852790636 /nfs/dbraw/zinc/79/06/36/852790636.db2.gz SPEJXZFLVFDKKR-DHIUTWEWSA-N 2 2 379.548 3.617 20 0 GHADLP CC[N@H+](CC(=O)NCc1ccc(CC[NH+](C)C)cc1)Cc1ccccc1Cl ZINC000507554886 853022858 /nfs/dbraw/zinc/02/28/58/853022858.db2.gz ZLFPGQOMTDGBDL-UHFFFAOYSA-N 2 2 387.955 3.582 20 0 GHADLP CC[N@@H+](CC(=O)NCc1ccc(CC[NH+](C)C)cc1)Cc1ccccc1Cl ZINC000507554886 853022864 /nfs/dbraw/zinc/02/28/64/853022864.db2.gz ZLFPGQOMTDGBDL-UHFFFAOYSA-N 2 2 387.955 3.582 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N3[C@H](C)CCC[C@@H]3C)C2)s1 ZINC000516894251 853135535 /nfs/dbraw/zinc/13/55/35/853135535.db2.gz VUPPSJZMLUYHEB-SCTDSRPQSA-N 2 2 377.598 3.600 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N3[C@H](C)CCC[C@@H]3C)C2)s1 ZINC000516894251 853135540 /nfs/dbraw/zinc/13/55/40/853135540.db2.gz VUPPSJZMLUYHEB-SCTDSRPQSA-N 2 2 377.598 3.600 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N3[C@H](C)CCC[C@@H]3C)C2)s1 ZINC000516894251 853135545 /nfs/dbraw/zinc/13/55/45/853135545.db2.gz VUPPSJZMLUYHEB-SCTDSRPQSA-N 2 2 377.598 3.600 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N3[C@H](C)CCC[C@@H]3C)C2)s1 ZINC000516894251 853135549 /nfs/dbraw/zinc/13/55/49/853135549.db2.gz VUPPSJZMLUYHEB-SCTDSRPQSA-N 2 2 377.598 3.600 20 0 GHADLP COc1ccccc1-c1ncc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000490645876 853146726 /nfs/dbraw/zinc/14/67/26/853146726.db2.gz QIKBEXTWRJDUHW-UHFFFAOYSA-N 2 2 388.515 3.906 20 0 GHADLP CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000516923199 853161241 /nfs/dbraw/zinc/16/12/41/853161241.db2.gz DUKVUOXUNNLEPM-UHFFFAOYSA-N 2 2 381.524 3.882 20 0 GHADLP CC(C)[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000517140634 853427119 /nfs/dbraw/zinc/42/71/19/853427119.db2.gz URAPCEUVAMVHDS-HXUWFJFHSA-N 2 2 394.991 3.705 20 0 GHADLP CC(C)[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000517140634 853427120 /nfs/dbraw/zinc/42/71/20/853427120.db2.gz URAPCEUVAMVHDS-HXUWFJFHSA-N 2 2 394.991 3.705 20 0 GHADLP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491055055 853428889 /nfs/dbraw/zinc/42/88/89/853428889.db2.gz DYMKWNMJPDRCEV-VXKWHMMOSA-N 2 2 385.596 3.630 20 0 GHADLP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491055055 853428890 /nfs/dbraw/zinc/42/88/90/853428890.db2.gz DYMKWNMJPDRCEV-VXKWHMMOSA-N 2 2 385.596 3.630 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000491060519 853432647 /nfs/dbraw/zinc/43/26/47/853432647.db2.gz OGQMZOSDQNHLPB-TZIWHRDSSA-N 2 2 385.939 3.606 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000491060519 853432649 /nfs/dbraw/zinc/43/26/49/853432649.db2.gz OGQMZOSDQNHLPB-TZIWHRDSSA-N 2 2 385.939 3.606 20 0 GHADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(F)cc1C(F)(F)F ZINC000623875275 862475556 /nfs/dbraw/zinc/47/55/56/862475556.db2.gz BYFUVHWWOCWMLM-CQSZACIVSA-N 2 2 396.432 3.842 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000517248371 853567141 /nfs/dbraw/zinc/56/71/41/853567141.db2.gz KGUIIQZBKUIPDK-FQEVSTJZSA-N 2 2 387.474 3.794 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000517248371 853567147 /nfs/dbraw/zinc/56/71/47/853567147.db2.gz KGUIIQZBKUIPDK-FQEVSTJZSA-N 2 2 387.474 3.794 20 0 GHADLP OCC[N@H+](Cc1cc(Br)cs1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000426383838 853656855 /nfs/dbraw/zinc/65/68/55/853656855.db2.gz WSLJELQCBORYEQ-UHFFFAOYSA-N 2 2 398.351 3.752 20 0 GHADLP OCC[N@@H+](Cc1cc(Br)cs1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000426383838 853656857 /nfs/dbraw/zinc/65/68/57/853656857.db2.gz WSLJELQCBORYEQ-UHFFFAOYSA-N 2 2 398.351 3.752 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c(C)c1 ZINC000440842452 853674526 /nfs/dbraw/zinc/67/45/26/853674526.db2.gz FXDBQDKXIAZVMR-RBBKRZOGSA-N 2 2 397.567 3.661 20 0 GHADLP CCC[N@@H+]1Cc2cccc(NC(=O)C3CC[NH+](C4CC[NH+](CC)CC4)CC3)c2C1 ZINC000571415612 853874105 /nfs/dbraw/zinc/87/41/05/853874105.db2.gz BYBXSQGVGPQGDX-UHFFFAOYSA-N 3 2 398.595 3.547 20 0 GHADLP CCC[N@H+]1Cc2cccc(NC(=O)C3CC[NH+](C4CC[NH+](CC)CC4)CC3)c2C1 ZINC000571415612 853874114 /nfs/dbraw/zinc/87/41/14/853874114.db2.gz BYBXSQGVGPQGDX-UHFFFAOYSA-N 3 2 398.595 3.547 20 0 GHADLP CCC[N@@H+]1Cc2cccc(NC(=O)C3CC[NH+](C4CCN(CC)CC4)CC3)c2C1 ZINC000571415612 853874122 /nfs/dbraw/zinc/87/41/22/853874122.db2.gz BYBXSQGVGPQGDX-UHFFFAOYSA-N 2 2 398.595 3.547 20 0 GHADLP CCC[N@H+]1Cc2cccc(NC(=O)C3CC[NH+](C4CCN(CC)CC4)CC3)c2C1 ZINC000571415612 853874126 /nfs/dbraw/zinc/87/41/26/853874126.db2.gz BYBXSQGVGPQGDX-UHFFFAOYSA-N 2 2 398.595 3.547 20 0 GHADLP COc1cc2[nH+]ccc(NCCCCn3cc[nH+]c3)c2cc1Br ZINC000571791242 854156397 /nfs/dbraw/zinc/15/63/97/854156397.db2.gz FUDXUWYKTSKCCE-UHFFFAOYSA-N 2 2 375.270 3.517 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NCc2ccccc2)c(C)c1 ZINC000441390986 854173253 /nfs/dbraw/zinc/17/32/53/854173253.db2.gz ZRSJBLIWHAENFZ-KNQAVFIVSA-N 2 2 376.504 3.536 20 0 GHADLP CC(C)C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000441405711 854201469 /nfs/dbraw/zinc/20/14/69/854201469.db2.gz PWENRCHXWYEZFA-AKIFATBCSA-N 2 2 383.580 3.839 20 0 GHADLP CC(C)C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000441405711 854201475 /nfs/dbraw/zinc/20/14/75/854201475.db2.gz PWENRCHXWYEZFA-AKIFATBCSA-N 2 2 383.580 3.839 20 0 GHADLP CC(C)C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000441405711 854201484 /nfs/dbraw/zinc/20/14/84/854201484.db2.gz PWENRCHXWYEZFA-AKIFATBCSA-N 2 2 383.580 3.839 20 0 GHADLP CC(C)C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000441405711 854201492 /nfs/dbraw/zinc/20/14/92/854201492.db2.gz PWENRCHXWYEZFA-AKIFATBCSA-N 2 2 383.580 3.839 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000112921506 854361943 /nfs/dbraw/zinc/36/19/43/854361943.db2.gz DZGAIHZVHSVNAP-UHFFFAOYSA-N 2 2 397.350 3.573 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000112921506 854361949 /nfs/dbraw/zinc/36/19/49/854361949.db2.gz DZGAIHZVHSVNAP-UHFFFAOYSA-N 2 2 397.350 3.573 20 0 GHADLP C[NH+](C)CCN(C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CCCC1 ZINC000458882418 854410337 /nfs/dbraw/zinc/41/03/37/854410337.db2.gz LTLRLQYUOLBBBS-UHFFFAOYSA-N 2 2 389.931 3.542 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000550396221 854451086 /nfs/dbraw/zinc/45/10/86/854451086.db2.gz PKUPUFPCUKJQRB-RTBURBONSA-N 2 2 386.858 3.692 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000550396221 854451087 /nfs/dbraw/zinc/45/10/87/854451087.db2.gz PKUPUFPCUKJQRB-RTBURBONSA-N 2 2 386.858 3.692 20 0 GHADLP CCCCOc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1OC ZINC000572303737 854458138 /nfs/dbraw/zinc/45/81/38/854458138.db2.gz VXYCYBKXFMQCLS-FQEVSTJZSA-N 2 2 376.541 3.561 20 0 GHADLP CCCCOc1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1OC ZINC000572303737 854458141 /nfs/dbraw/zinc/45/81/41/854458141.db2.gz VXYCYBKXFMQCLS-FQEVSTJZSA-N 2 2 376.541 3.561 20 0 GHADLP COc1c(Br)cccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000481993191 862587225 /nfs/dbraw/zinc/58/72/25/862587225.db2.gz NEPPZOGOUIVNAY-KBXCAEBGSA-N 2 2 379.342 3.906 20 0 GHADLP COc1c(Br)cccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000481993191 862587227 /nfs/dbraw/zinc/58/72/27/862587227.db2.gz NEPPZOGOUIVNAY-KBXCAEBGSA-N 2 2 379.342 3.906 20 0 GHADLP COc1c(Br)cccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000481993191 862587236 /nfs/dbraw/zinc/58/72/36/862587236.db2.gz NEPPZOGOUIVNAY-KBXCAEBGSA-N 2 2 379.342 3.906 20 0 GHADLP COc1c(Br)cccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000481993191 862587247 /nfs/dbraw/zinc/58/72/47/862587247.db2.gz NEPPZOGOUIVNAY-KBXCAEBGSA-N 2 2 379.342 3.906 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000074319857 854741550 /nfs/dbraw/zinc/74/15/50/854741550.db2.gz BYQYFXYMZMXYSD-QGZVFWFLSA-N 2 2 375.557 3.849 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000074319857 854741556 /nfs/dbraw/zinc/74/15/56/854741556.db2.gz BYQYFXYMZMXYSD-QGZVFWFLSA-N 2 2 375.557 3.849 20 0 GHADLP Cc1ccccc1C[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001128011913 854825222 /nfs/dbraw/zinc/82/52/22/854825222.db2.gz UVSMDOKTHRMCTF-OYDLWJJNSA-N 2 2 399.623 3.969 20 0 GHADLP Cc1ccccc1C[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001128011913 854825225 /nfs/dbraw/zinc/82/52/25/854825225.db2.gz UVSMDOKTHRMCTF-OYDLWJJNSA-N 2 2 399.623 3.969 20 0 GHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674008502 862629352 /nfs/dbraw/zinc/62/93/52/862629352.db2.gz BOXXKGZGTFPUHS-JPYJTQIMSA-N 2 2 395.522 3.742 20 0 GHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674008502 862629357 /nfs/dbraw/zinc/62/93/57/862629357.db2.gz BOXXKGZGTFPUHS-JPYJTQIMSA-N 2 2 395.522 3.742 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000624085816 862635174 /nfs/dbraw/zinc/63/51/74/862635174.db2.gz DWKBQRGNPQHMSK-JLSDUUJJSA-N 2 2 384.351 3.559 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000624085816 862635179 /nfs/dbraw/zinc/63/51/79/862635179.db2.gz DWKBQRGNPQHMSK-JLSDUUJJSA-N 2 2 384.351 3.559 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C(c1ccccc1)c1ccccc1 ZINC000482020432 862635734 /nfs/dbraw/zinc/63/57/34/862635734.db2.gz YCCKQSOSBGYXDH-NFBKMPQASA-N 2 2 393.575 3.739 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C(c1ccccc1)c1ccccc1 ZINC000482020432 862635739 /nfs/dbraw/zinc/63/57/39/862635739.db2.gz YCCKQSOSBGYXDH-NFBKMPQASA-N 2 2 393.575 3.739 20 0 GHADLP Cc1[nH]c(-c2ccc(NC(=O)C3CCC([NH+]4CCOCC4)CC3)cc2)[nH+]c1C ZINC000921669003 855071240 /nfs/dbraw/zinc/07/12/40/855071240.db2.gz MPJNNOAUFGMSNX-UHFFFAOYSA-N 2 2 382.508 3.523 20 0 GHADLP Cc1cc(N2CCOC3(CC[NH+](C)CC3)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000645385220 855083027 /nfs/dbraw/zinc/08/30/27/855083027.db2.gz RETJIFMRWZAIAF-UHFFFAOYSA-N 2 2 395.425 3.743 20 0 GHADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1OCc1c(C)noc1C ZINC000655855744 855284731 /nfs/dbraw/zinc/28/47/31/855284731.db2.gz HRTNWIWTBILNJH-LEWJYISDSA-N 2 2 399.535 3.986 20 0 GHADLP COc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1OCc1c(C)noc1C ZINC000655855744 855284739 /nfs/dbraw/zinc/28/47/39/855284739.db2.gz HRTNWIWTBILNJH-LEWJYISDSA-N 2 2 399.535 3.986 20 0 GHADLP CCCC[NH+]1CCC(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000441502660 855486348 /nfs/dbraw/zinc/48/63/48/855486348.db2.gz QSAHFFSHQLFDKN-QFIPXVFZSA-N 2 2 397.567 3.805 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)c(C)c1 ZINC000441507485 855534751 /nfs/dbraw/zinc/53/47/51/855534751.db2.gz VVLZQVPELBOLAH-FCHUYYIVSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000441519801 855552151 /nfs/dbraw/zinc/55/21/51/855552151.db2.gz BKEYKTNRHOLVEU-AOMIVXANSA-N 2 2 397.567 3.661 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083141 855752377 /nfs/dbraw/zinc/75/23/77/855752377.db2.gz PJMCWGKMSLXRFW-UGKGYDQZSA-N 2 2 388.515 3.814 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083141 855752384 /nfs/dbraw/zinc/75/23/84/855752384.db2.gz PJMCWGKMSLXRFW-UGKGYDQZSA-N 2 2 388.515 3.814 20 0 GHADLP O=C(C[NH2+][C@@H](c1ccccc1)C1CCC1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000104696560 856369891 /nfs/dbraw/zinc/36/98/91/856369891.db2.gz SNFUBZUUFLGGRP-FQEVSTJZSA-N 2 2 384.549 3.808 20 0 GHADLP CC[N@H+](C[C@H](C)NC(=O)OC(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000785457875 856828468 /nfs/dbraw/zinc/82/84/68/856828468.db2.gz JJYGWCUHUROBHS-KRWDZBQOSA-N 2 2 376.545 3.533 20 0 GHADLP CC[N@@H+](C[C@H](C)NC(=O)OC(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000785457875 856828474 /nfs/dbraw/zinc/82/84/74/856828474.db2.gz JJYGWCUHUROBHS-KRWDZBQOSA-N 2 2 376.545 3.533 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1OC ZINC000665250138 856875272 /nfs/dbraw/zinc/87/52/72/856875272.db2.gz IWSWOMWKOATDDF-IOMROCGXSA-N 2 2 384.520 3.517 20 0 GHADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1C ZINC000665256955 857138330 /nfs/dbraw/zinc/13/83/30/857138330.db2.gz TVGSWCUHRVLKFR-BSLALVQMSA-N 2 2 383.511 3.895 20 0 GHADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257603 857173654 /nfs/dbraw/zinc/17/36/54/857173654.db2.gz OEYJRTGJHFTPRG-BSLALVQMSA-N 2 2 383.511 3.841 20 0 GHADLP CCOc1c(Cl)cccc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000485974737 857284483 /nfs/dbraw/zinc/28/44/83/857284483.db2.gz GDQWFRFCVKTERP-UHFFFAOYSA-N 2 2 388.943 3.698 20 0 GHADLP Fc1ccccc1-c1noc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282201427 857300355 /nfs/dbraw/zinc/30/03/55/857300355.db2.gz XFVQBOZZXJOBSW-HNNXBMFYSA-N 2 2 381.455 3.788 20 0 GHADLP Fc1ccccc1-c1noc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282201427 857300366 /nfs/dbraw/zinc/30/03/66/857300366.db2.gz XFVQBOZZXJOBSW-HNNXBMFYSA-N 2 2 381.455 3.788 20 0 GHADLP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000062230110 857560666 /nfs/dbraw/zinc/56/06/66/857560666.db2.gz WNMKZLGMGGJIFZ-JOCHJYFZSA-N 2 2 388.515 3.573 20 0 GHADLP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000062230110 857560677 /nfs/dbraw/zinc/56/06/77/857560677.db2.gz WNMKZLGMGGJIFZ-JOCHJYFZSA-N 2 2 388.515 3.573 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCC[N@H+]2CCCC[C@H]2C)c(C)c1 ZINC000442231966 857625390 /nfs/dbraw/zinc/62/53/90/857625390.db2.gz BFNKSWHXKLBVRZ-IRLDBZIGSA-N 2 2 397.567 3.805 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000442231966 857625391 /nfs/dbraw/zinc/62/53/91/857625391.db2.gz BFNKSWHXKLBVRZ-IRLDBZIGSA-N 2 2 397.567 3.805 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC(CC[NH+](C)C)CC2)c(C)c1 ZINC000442251944 857655982 /nfs/dbraw/zinc/65/59/82/857655982.db2.gz RPEYPRZLFOZWGO-QFIPXVFZSA-N 2 2 397.567 3.615 20 0 GHADLP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCO2 ZINC000675880530 857658576 /nfs/dbraw/zinc/65/85/76/857658576.db2.gz FSIVWNOASCZXLX-WMZOPIPTSA-N 2 2 395.341 3.506 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC[NH+](C(C)C)C(C)C)c(C)c1 ZINC000442233966 857660300 /nfs/dbraw/zinc/66/03/00/857660300.db2.gz DUAKYWVZBQSDNL-OAQYLSRUSA-N 2 2 385.556 3.659 20 0 GHADLP O=C(NCCCNc1cccc[nH+]1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063799278 857660356 /nfs/dbraw/zinc/66/03/56/857660356.db2.gz RELLIIARTSCWIS-UHFFFAOYSA-N 2 2 395.551 3.759 20 0 GHADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181660273 862960315 /nfs/dbraw/zinc/96/03/15/862960315.db2.gz YNDQIRLHRFJMFP-IEBWSBKVSA-N 2 2 383.517 3.775 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543025260 857931120 /nfs/dbraw/zinc/93/11/20/857931120.db2.gz SFBOTJOLAWAMRX-MJGOQNOKSA-N 2 2 392.906 3.796 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543025260 857931127 /nfs/dbraw/zinc/93/11/27/857931127.db2.gz SFBOTJOLAWAMRX-MJGOQNOKSA-N 2 2 392.906 3.796 20 0 GHADLP CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543061162 858140958 /nfs/dbraw/zinc/14/09/58/858140958.db2.gz PKLKUJGPFXBXHK-GOSISDBHSA-N 2 2 384.524 3.801 20 0 GHADLP C[NH+]1CCC(CNC(=O)Cc2ccc(C(C)(C)C)cc2)([NH+]2CCCCC2)CC1 ZINC000482364065 862990614 /nfs/dbraw/zinc/99/06/14/862990614.db2.gz IOLRIUMHTNGQGW-UHFFFAOYSA-N 2 2 385.596 3.593 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3Cc4[nH]c5ccccc5c4C3)[nH+]c2)CC1 ZINC000442829401 858168368 /nfs/dbraw/zinc/16/83/68/858168368.db2.gz UTFCJITWCMBNNZ-INIZCTEOSA-N 2 2 375.520 3.673 20 0 GHADLP CNC(=O)[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(F)cc1C ZINC000575123153 858572243 /nfs/dbraw/zinc/57/22/43/858572243.db2.gz ZBBJFMGATRXPGY-FXAWDEMLSA-N 2 2 394.494 3.575 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cn2)[C@@H](C)C1 ZINC000575107251 858590042 /nfs/dbraw/zinc/59/00/42/858590042.db2.gz YWRVIUIYDCYORU-UXLLHSPISA-N 2 2 384.362 3.632 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cn2)[C@@H](C)C1 ZINC000575107251 858590045 /nfs/dbraw/zinc/59/00/45/858590045.db2.gz YWRVIUIYDCYORU-UXLLHSPISA-N 2 2 384.362 3.632 20 0 GHADLP COc1ccc(Br)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000676712009 858774362 /nfs/dbraw/zinc/77/43/62/858774362.db2.gz ASXKFGXRYBVUIF-KSSFIOAISA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000676712009 858774366 /nfs/dbraw/zinc/77/43/66/858774366.db2.gz ASXKFGXRYBVUIF-KSSFIOAISA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676712009 858774367 /nfs/dbraw/zinc/77/43/67/858774367.db2.gz ASXKFGXRYBVUIF-KSSFIOAISA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(Br)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000676712009 858774370 /nfs/dbraw/zinc/77/43/70/858774370.db2.gz ASXKFGXRYBVUIF-KSSFIOAISA-N 2 2 379.342 3.906 20 0 GHADLP Cc1ccccc1-c1nc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)no1 ZINC000134082269 858830017 /nfs/dbraw/zinc/83/00/17/858830017.db2.gz KAPMQNKXJOYPCB-OALUTQOASA-N 2 2 398.551 3.756 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)CC2)cc1 ZINC000474082464 858838888 /nfs/dbraw/zinc/83/88/88/858838888.db2.gz OTEGPBWJDSDYHM-CCDWMCETSA-N 2 2 399.623 3.769 20 0 GHADLP CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)cc1Cl ZINC000482873791 858932206 /nfs/dbraw/zinc/93/22/06/858932206.db2.gz WXATXADPMZBUJG-SFHVURJKSA-N 2 2 386.367 3.977 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000543603142 858943300 /nfs/dbraw/zinc/94/33/00/858943300.db2.gz YSHFCYKCKLKBSE-NHCUHLMSSA-N 2 2 378.582 3.546 20 0 GHADLP Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C1)CC2 ZINC000482942655 858997911 /nfs/dbraw/zinc/99/79/11/858997911.db2.gz FCUOQCUGYCDFPA-AUSIDOKSSA-N 2 2 394.538 3.742 20 0 GHADLP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C1)CC2 ZINC000482942655 858997922 /nfs/dbraw/zinc/99/79/22/858997922.db2.gz FCUOQCUGYCDFPA-AUSIDOKSSA-N 2 2 394.538 3.742 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000185225082 859059575 /nfs/dbraw/zinc/05/95/75/859059575.db2.gz SYBASYSZXMRSBK-QRWLVFNGSA-N 2 2 376.907 3.723 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(F)c(F)cc3F)C2)ccn1 ZINC000856553877 881386734 /nfs/dbraw/zinc/38/67/34/881386734.db2.gz YHTBDQARIXSEFL-KRWDZBQOSA-N 2 2 379.426 3.604 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(F)c(F)cc3F)C2)ccn1 ZINC000856553877 881386803 /nfs/dbraw/zinc/38/68/03/881386803.db2.gz YHTBDQARIXSEFL-KRWDZBQOSA-N 2 2 379.426 3.604 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(F)c(F)cc3F)C2)ccn1 ZINC000856553877 881386854 /nfs/dbraw/zinc/38/68/54/881386854.db2.gz YHTBDQARIXSEFL-KRWDZBQOSA-N 2 2 379.426 3.604 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(F)c(F)cc3F)C2)ccn1 ZINC000856553877 881386893 /nfs/dbraw/zinc/38/68/93/881386893.db2.gz YHTBDQARIXSEFL-KRWDZBQOSA-N 2 2 379.426 3.604 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000191490412 859183150 /nfs/dbraw/zinc/18/31/50/859183150.db2.gz KALQBTNLGFIHGX-UHFFFAOYSA-N 2 2 387.509 3.513 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000191490412 859183156 /nfs/dbraw/zinc/18/31/56/859183156.db2.gz KALQBTNLGFIHGX-UHFFFAOYSA-N 2 2 387.509 3.513 20 0 GHADLP CCc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000189016077 881394817 /nfs/dbraw/zinc/39/48/17/881394817.db2.gz OHBJTCVSCQVVKS-DHIUTWEWSA-N 2 2 385.596 3.587 20 0 GHADLP CCc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000189016077 881394834 /nfs/dbraw/zinc/39/48/34/881394834.db2.gz OHBJTCVSCQVVKS-DHIUTWEWSA-N 2 2 385.596 3.587 20 0 GHADLP Cc1ncsc1C[N@H+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC000923338932 859235408 /nfs/dbraw/zinc/23/54/08/859235408.db2.gz MJGQLSXLNXHOLV-YOEHRIQHSA-N 2 2 399.482 3.615 20 0 GHADLP Cc1ncsc1C[N@@H+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC000923338932 859235419 /nfs/dbraw/zinc/23/54/19/859235419.db2.gz MJGQLSXLNXHOLV-YOEHRIQHSA-N 2 2 399.482 3.615 20 0 GHADLP COC(=O)c1oc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cc1C ZINC000597058273 859255343 /nfs/dbraw/zinc/25/53/43/859255343.db2.gz WBMFBSXSMUMDCZ-UHFFFAOYSA-N 2 2 382.460 3.889 20 0 GHADLP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000483418314 859351913 /nfs/dbraw/zinc/35/19/13/859351913.db2.gz IUQOINRWQNRUMN-VXKWHMMOSA-N 2 2 378.564 3.985 20 0 GHADLP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000483418314 859351921 /nfs/dbraw/zinc/35/19/21/859351921.db2.gz IUQOINRWQNRUMN-VXKWHMMOSA-N 2 2 378.564 3.985 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000597215794 859352263 /nfs/dbraw/zinc/35/22/63/859352263.db2.gz AKCXFNIKEXWYKV-OAQYLSRUSA-N 2 2 395.551 3.716 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000597215794 859352276 /nfs/dbraw/zinc/35/22/76/859352276.db2.gz AKCXFNIKEXWYKV-OAQYLSRUSA-N 2 2 395.551 3.716 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(F)c1 ZINC000597222959 859373665 /nfs/dbraw/zinc/37/36/65/859373665.db2.gz QNXVWNKZNOFLCO-SEJPIABJSA-N 2 2 382.479 3.898 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(F)c1 ZINC000597222959 859373675 /nfs/dbraw/zinc/37/36/75/859373675.db2.gz QNXVWNKZNOFLCO-SEJPIABJSA-N 2 2 382.479 3.898 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccc(Cl)cc3Br)CC[C@H]21 ZINC000483468714 859394974 /nfs/dbraw/zinc/39/49/74/859394974.db2.gz BYXBHBRGLXBDJV-XJKSGUPXSA-N 2 2 387.749 3.897 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccc(Cl)cc3Br)CC[C@H]21 ZINC000483468714 859394980 /nfs/dbraw/zinc/39/49/80/859394980.db2.gz BYXBHBRGLXBDJV-XJKSGUPXSA-N 2 2 387.749 3.897 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccc(Cl)cc3Br)CC[C@H]21 ZINC000483468714 859394986 /nfs/dbraw/zinc/39/49/86/859394986.db2.gz BYXBHBRGLXBDJV-XJKSGUPXSA-N 2 2 387.749 3.897 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccc(Cl)cc3Br)CC[C@H]21 ZINC000483468714 859394991 /nfs/dbraw/zinc/39/49/91/859394991.db2.gz BYXBHBRGLXBDJV-XJKSGUPXSA-N 2 2 387.749 3.897 20 0 GHADLP CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000543393539 859546784 /nfs/dbraw/zinc/54/67/84/859546784.db2.gz INRBUDUUSJEJFI-UHFFFAOYSA-N 2 2 377.492 3.735 20 0 GHADLP CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000543393539 859546791 /nfs/dbraw/zinc/54/67/91/859546791.db2.gz INRBUDUUSJEJFI-UHFFFAOYSA-N 2 2 377.492 3.735 20 0 GHADLP O[C@@H](C[N@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1)C[NH+]1CCCC1 ZINC000729543840 859722906 /nfs/dbraw/zinc/72/29/06/859722906.db2.gz RZWBAKBTDQFALX-GOSISDBHSA-N 2 2 386.458 3.787 20 0 GHADLP O[C@@H](C[N@@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1)C[NH+]1CCCC1 ZINC000729543840 859722911 /nfs/dbraw/zinc/72/29/11/859722911.db2.gz RZWBAKBTDQFALX-GOSISDBHSA-N 2 2 386.458 3.787 20 0 GHADLP Cc1cc2occ(CC(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2cc1C(C)C ZINC000602195974 859830673 /nfs/dbraw/zinc/83/06/73/859830673.db2.gz PQTVMZFPWCZOQQ-IBGZPJMESA-N 2 2 397.563 3.692 20 0 GHADLP Cc1cc2occ(CC(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2cc1C(C)C ZINC000602195974 859830679 /nfs/dbraw/zinc/83/06/79/859830679.db2.gz PQTVMZFPWCZOQQ-IBGZPJMESA-N 2 2 397.563 3.692 20 0 GHADLP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1CO)CCC2 ZINC000484151040 859839583 /nfs/dbraw/zinc/83/95/83/859839583.db2.gz XGUOEVAFVLWPKB-GBESFXJTSA-N 2 2 385.577 3.556 20 0 GHADLP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1CO)CCC2 ZINC000484151040 859839596 /nfs/dbraw/zinc/83/95/96/859839596.db2.gz XGUOEVAFVLWPKB-GBESFXJTSA-N 2 2 385.577 3.556 20 0 GHADLP CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1OCC ZINC000484132409 859840824 /nfs/dbraw/zinc/84/08/24/859840824.db2.gz OKPYGVYPLBNIKU-DVECYGJZSA-N 2 2 398.547 3.772 20 0 GHADLP CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1OCC ZINC000484132409 859840836 /nfs/dbraw/zinc/84/08/36/859840836.db2.gz OKPYGVYPLBNIKU-DVECYGJZSA-N 2 2 398.547 3.772 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cnc2ccsc2c1 ZINC000484153346 859848551 /nfs/dbraw/zinc/84/85/51/859848551.db2.gz AHEJCXNLAZLMPL-DBVUQKKJSA-N 2 2 381.545 3.830 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cnc2ccsc2c1 ZINC000484153346 859848558 /nfs/dbraw/zinc/84/85/58/859848558.db2.gz AHEJCXNLAZLMPL-DBVUQKKJSA-N 2 2 381.545 3.830 20 0 GHADLP COc1ccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1Cn1cccn1 ZINC000765251343 859866989 /nfs/dbraw/zinc/86/69/89/859866989.db2.gz OUZIKOMZHMTYFW-DYESRHJHSA-N 2 2 381.524 3.902 20 0 GHADLP CN(CCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccc1F ZINC000765252805 859867897 /nfs/dbraw/zinc/86/78/97/859867897.db2.gz FFJFQDFVRAGHKB-UHFFFAOYSA-N 2 2 384.543 3.977 20 0 GHADLP Cc1nc2sc3c(c2c(N[C@@H]2CC[N@@H+](C4CC[NH+](C)CC4)C2)n1)CC[C@@H](C)C3 ZINC000602233302 859880831 /nfs/dbraw/zinc/88/08/31/859880831.db2.gz RRXREJKIXPWRSF-GDBMZVCRSA-N 2 2 399.608 3.705 20 0 GHADLP Cc1nc2sc3c(c2c(N[C@@H]2CC[N@H+](C4CC[NH+](C)CC4)C2)n1)CC[C@@H](C)C3 ZINC000602233302 859880834 /nfs/dbraw/zinc/88/08/34/859880834.db2.gz RRXREJKIXPWRSF-GDBMZVCRSA-N 2 2 399.608 3.705 20 0 GHADLP C[C@H]1CC([NH2+]Cc2ccnc(OCC3CC3)n2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168033862 859984073 /nfs/dbraw/zinc/98/40/73/859984073.db2.gz MKEUFJUYCGPKRR-ROUUACIJSA-N 2 2 380.536 3.797 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000921518295 860005146 /nfs/dbraw/zinc/00/51/46/860005146.db2.gz SUSMMVBUKVMROP-FXAWDEMLSA-N 2 2 384.524 3.714 20 0 GHADLP CC(C)C[C@H](C[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)[NH+](C)C ZINC000921521241 860005349 /nfs/dbraw/zinc/00/53/49/860005349.db2.gz WZUNKWGAVZIDOF-RBUKOAKNSA-N 2 2 397.604 3.501 20 0 GHADLP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000499908334 860151513 /nfs/dbraw/zinc/15/15/13/860151513.db2.gz RFAOEKLPKOOCAB-IBGZPJMESA-N 2 2 397.485 3.614 20 0 GHADLP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000499908334 860151514 /nfs/dbraw/zinc/15/15/14/860151514.db2.gz RFAOEKLPKOOCAB-IBGZPJMESA-N 2 2 397.485 3.614 20 0 GHADLP CN(C(=O)Nc1cccc(F)c1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000120308401 881508092 /nfs/dbraw/zinc/50/80/92/881508092.db2.gz MRHACWMOMFREMS-OALUTQOASA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1cccc(F)c1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000120308401 881508170 /nfs/dbraw/zinc/50/81/70/881508170.db2.gz MRHACWMOMFREMS-OALUTQOASA-N 2 2 394.510 3.766 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2nc(Br)c[nH]2)C1 ZINC000921531838 860205535 /nfs/dbraw/zinc/20/55/35/860205535.db2.gz DEJKVWFQSBWGCT-CQSZACIVSA-N 2 2 377.330 3.694 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2nc(Br)c[nH]2)C1 ZINC000921531838 860205545 /nfs/dbraw/zinc/20/55/45/860205545.db2.gz DEJKVWFQSBWGCT-CQSZACIVSA-N 2 2 377.330 3.694 20 0 GHADLP CN(C(=O)[C@H]1C[C@@H]1C1CCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001127905297 860238951 /nfs/dbraw/zinc/23/89/51/860238951.db2.gz CJXCPNVPSJRSTP-MBDNFAEBSA-N 2 2 375.601 3.608 20 0 GHADLP CN(C(=O)[C@H]1C[C@@H]1C1CCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001127905297 860238960 /nfs/dbraw/zinc/23/89/60/860238960.db2.gz CJXCPNVPSJRSTP-MBDNFAEBSA-N 2 2 375.601 3.608 20 0 GHADLP CN(C(=O)C(C)(C)CCCc1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602769325 860274625 /nfs/dbraw/zinc/27/46/25/860274625.db2.gz ZIAIEOICABSHQN-JOCHJYFZSA-N 2 2 385.596 3.662 20 0 GHADLP CN(C(=O)C(C)(C)CCCc1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602769325 860274648 /nfs/dbraw/zinc/27/46/48/860274648.db2.gz ZIAIEOICABSHQN-JOCHJYFZSA-N 2 2 385.596 3.662 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(SC(F)F)cc1 ZINC000765626991 860353716 /nfs/dbraw/zinc/35/37/16/860353716.db2.gz SMQMGOVPZDHUOS-PBHICJAKSA-N 2 2 385.524 3.595 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(SC(F)F)cc1 ZINC000765626991 860353720 /nfs/dbraw/zinc/35/37/20/860353720.db2.gz SMQMGOVPZDHUOS-PBHICJAKSA-N 2 2 385.524 3.595 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(SC(F)F)cc1 ZINC000765626992 860353846 /nfs/dbraw/zinc/35/38/46/860353846.db2.gz SMQMGOVPZDHUOS-YOEHRIQHSA-N 2 2 385.524 3.595 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(SC(F)F)cc1 ZINC000765626992 860353854 /nfs/dbraw/zinc/35/38/54/860353854.db2.gz SMQMGOVPZDHUOS-YOEHRIQHSA-N 2 2 385.524 3.595 20 0 GHADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191835998 860371132 /nfs/dbraw/zinc/37/11/32/860371132.db2.gz SLAJFRDVHZRWMW-KNQAVFIVSA-N 2 2 398.547 3.516 20 0 GHADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000191835998 860371135 /nfs/dbraw/zinc/37/11/35/860371135.db2.gz SLAJFRDVHZRWMW-KNQAVFIVSA-N 2 2 398.547 3.516 20 0 GHADLP CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428954211 860505714 /nfs/dbraw/zinc/50/57/14/860505714.db2.gz LUOZJZNRMRLHRK-IRXDYDNUSA-N 2 2 396.626 3.577 20 0 GHADLP COc1ccc(Br)cc1-c1nc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cs1 ZINC000484972460 860563629 /nfs/dbraw/zinc/56/36/29/860563629.db2.gz OMWWVFBPGIVVHU-VXGBXAGGSA-N 2 2 396.354 3.750 20 0 GHADLP COc1ccc(Br)cc1-c1nc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cs1 ZINC000484972460 860563640 /nfs/dbraw/zinc/56/36/40/860563640.db2.gz OMWWVFBPGIVVHU-VXGBXAGGSA-N 2 2 396.354 3.750 20 0 GHADLP C[C@H](CCc1ccccc1)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498557541 860573370 /nfs/dbraw/zinc/57/33/70/860573370.db2.gz BAOFZFJHZKVWCP-VWNXMTODSA-N 2 2 392.591 3.937 20 0 GHADLP C[C@H](CCc1ccccc1)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498557541 860573379 /nfs/dbraw/zinc/57/33/79/860573379.db2.gz BAOFZFJHZKVWCP-VWNXMTODSA-N 2 2 392.591 3.937 20 0 GHADLP C[C@H]1CC[N@H+](Cc2nc3cc(Br)ccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000509023830 860582351 /nfs/dbraw/zinc/58/23/51/860582351.db2.gz YRPOBQHBEDUMHY-SWLSCSKDSA-N 2 2 375.270 3.870 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2nc3cc(Br)ccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000509023830 860582355 /nfs/dbraw/zinc/58/23/55/860582355.db2.gz YRPOBQHBEDUMHY-SWLSCSKDSA-N 2 2 375.270 3.870 20 0 GHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1Cl ZINC000026215850 860583599 /nfs/dbraw/zinc/58/35/99/860583599.db2.gz DBVGSWWVIVGSST-GOSISDBHSA-N 2 2 399.966 3.941 20 0 GHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1Cl ZINC000026215850 860583604 /nfs/dbraw/zinc/58/36/04/860583604.db2.gz DBVGSWWVIVGSST-GOSISDBHSA-N 2 2 399.966 3.941 20 0 GHADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428981663 860593081 /nfs/dbraw/zinc/59/30/81/860593081.db2.gz ZJRFUILIRAWPGN-OAQYLSRUSA-N 2 2 397.567 3.517 20 0 GHADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428981663 860593087 /nfs/dbraw/zinc/59/30/87/860593087.db2.gz ZJRFUILIRAWPGN-OAQYLSRUSA-N 2 2 397.567 3.517 20 0 GHADLP C[NH+]1CCN(C(=[NH2+])Nc2nc3ccccc3c3nc(C4CCCCC4)[nH]c32)CC1 ZINC001168736685 860757164 /nfs/dbraw/zinc/75/71/64/860757164.db2.gz PGMLDXXUWMQCTH-UHFFFAOYSA-N 2 2 391.523 3.753 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481321415 861038082 /nfs/dbraw/zinc/03/80/82/861038082.db2.gz OTZMXNNJMITKFD-BWKNWUBXSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481321415 861038096 /nfs/dbraw/zinc/03/80/96/861038096.db2.gz OTZMXNNJMITKFD-BWKNWUBXSA-N 3 2 393.575 3.519 20 0 GHADLP c1cn(-c2ccccc2C[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)c[nH+]1 ZINC000730420922 861103232 /nfs/dbraw/zinc/10/32/32/861103232.db2.gz OAVKBZLZFGWBDH-UHFFFAOYSA-N 2 2 399.498 3.547 20 0 GHADLP O=C1[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000329229474 861169632 /nfs/dbraw/zinc/16/96/32/861169632.db2.gz CQVREWWPOWVAJK-INIZCTEOSA-N 2 2 379.291 3.701 20 0 GHADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc2ccccc21 ZINC000177272200 861178602 /nfs/dbraw/zinc/17/86/02/861178602.db2.gz SIFGLLMOHRVXBX-IBGZPJMESA-N 2 2 388.515 3.624 20 0 GHADLP Cc1cccc([C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(C)(C)C)c1 ZINC000674158087 863077372 /nfs/dbraw/zinc/07/73/72/863077372.db2.gz JTUZPCONYLAIEN-CTNGQTDRSA-N 2 2 386.584 3.550 20 0 GHADLP Cc1cccc([C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(C)(C)C)c1 ZINC000674158087 863077390 /nfs/dbraw/zinc/07/73/90/863077390.db2.gz JTUZPCONYLAIEN-CTNGQTDRSA-N 2 2 386.584 3.550 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC4(CCCCC4)CC3)CC2)CC1 ZINC000189182959 881669166 /nfs/dbraw/zinc/66/91/66/881669166.db2.gz VYRKKHOMULEKLQ-UHFFFAOYSA-N 2 2 390.616 3.691 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccc4[nH+]ccn4c3)cc2)C1 ZINC000606581167 863730045 /nfs/dbraw/zinc/73/00/45/863730045.db2.gz SRMLBKMZRDNRKI-QGZVFWFLSA-N 2 2 377.492 3.888 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc4[nH+]ccn4c3)cc2)C1 ZINC000606581167 863730049 /nfs/dbraw/zinc/73/00/49/863730049.db2.gz SRMLBKMZRDNRKI-QGZVFWFLSA-N 2 2 377.492 3.888 20 0 GHADLP Cc1cc(C)n2c(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)cnc2n1 ZINC000537629848 881690266 /nfs/dbraw/zinc/69/02/66/881690266.db2.gz IERJYSZNZQWICJ-DEOSSOPVSA-N 2 2 389.547 3.834 20 0 GHADLP Cc1cc(C)n2c(C[N@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)cnc2n1 ZINC000537629848 881690274 /nfs/dbraw/zinc/69/02/74/881690274.db2.gz IERJYSZNZQWICJ-DEOSSOPVSA-N 2 2 389.547 3.834 20 0 GHADLP Cc1cc(C)n2c(C[NH+]3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)cnc2n1 ZINC000537629848 881690283 /nfs/dbraw/zinc/69/02/83/881690283.db2.gz IERJYSZNZQWICJ-DEOSSOPVSA-N 2 2 389.547 3.834 20 0 GHADLP Cc1cc(C)n2c(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)cnc2n1 ZINC000537629848 881690286 /nfs/dbraw/zinc/69/02/86/881690286.db2.gz IERJYSZNZQWICJ-DEOSSOPVSA-N 2 2 389.547 3.834 20 0 GHADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158947241 863995629 /nfs/dbraw/zinc/99/56/29/863995629.db2.gz VBGSRDMKQVAJGE-PXNSSMCTSA-N 2 2 387.593 3.786 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000480097486 864053628 /nfs/dbraw/zinc/05/36/28/864053628.db2.gz XXZBDDMFDQTSHT-ACRUOGEOSA-N 2 2 377.573 3.533 20 0 GHADLP CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000480097486 864053642 /nfs/dbraw/zinc/05/36/42/864053642.db2.gz XXZBDDMFDQTSHT-ACRUOGEOSA-N 2 2 377.573 3.533 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)[C@@H](C)C1 ZINC000480097486 864053659 /nfs/dbraw/zinc/05/36/59/864053659.db2.gz XXZBDDMFDQTSHT-ACRUOGEOSA-N 2 2 377.573 3.533 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)[C@@H](C)C1 ZINC000480097486 864053674 /nfs/dbraw/zinc/05/36/74/864053674.db2.gz XXZBDDMFDQTSHT-ACRUOGEOSA-N 2 2 377.573 3.533 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2ccc(F)c3ccccc23)([NH+]2CCCCC2)CC1 ZINC000480115370 864069543 /nfs/dbraw/zinc/06/95/43/864069543.db2.gz JYLXGBIJNXPGHQ-UHFFFAOYSA-N 2 2 383.511 3.659 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](c3ccccc3)C3CCCCC3)C2)CC1 ZINC000734269167 864106776 /nfs/dbraw/zinc/10/67/76/864106776.db2.gz HYHWXOZDZWWVCK-JTHBVZDNSA-N 2 2 398.595 3.776 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](c3ccccc3)C3CCCCC3)C2)CC1 ZINC000734269167 864106784 /nfs/dbraw/zinc/10/67/84/864106784.db2.gz HYHWXOZDZWWVCK-JTHBVZDNSA-N 2 2 398.595 3.776 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Nc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000734281174 864117892 /nfs/dbraw/zinc/11/78/92/864117892.db2.gz CPHPMOUIHZANSZ-NRFANRHFSA-N 2 2 378.520 3.644 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Nc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000734281174 864117894 /nfs/dbraw/zinc/11/78/94/864117894.db2.gz CPHPMOUIHZANSZ-NRFANRHFSA-N 2 2 378.520 3.644 20 0 GHADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000163705568 864555388 /nfs/dbraw/zinc/55/53/88/864555388.db2.gz RDUXTWMDTLKGAH-UHFFFAOYSA-N 2 2 397.386 3.614 20 0 GHADLP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c2ccccc2C1 ZINC000494491297 881789049 /nfs/dbraw/zinc/78/90/49/881789049.db2.gz ZTIUINFHJPNOLH-MHECFPHRSA-N 2 2 392.547 3.690 20 0 GHADLP C[NH+](C)CCOc1cccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000667684838 864795488 /nfs/dbraw/zinc/79/54/88/864795488.db2.gz HZDJPDFLKZSWDU-HXUWFJFHSA-N 2 2 378.476 3.511 20 0 GHADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000475400287 864950718 /nfs/dbraw/zinc/95/07/18/864950718.db2.gz OHYPFLRFXOURDT-HNNXBMFYSA-N 2 2 386.565 3.807 20 0 GHADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000475400287 864950724 /nfs/dbraw/zinc/95/07/24/864950724.db2.gz OHYPFLRFXOURDT-HNNXBMFYSA-N 2 2 386.565 3.807 20 0 GHADLP Cc1nc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cs1 ZINC000608060463 864952171 /nfs/dbraw/zinc/95/21/71/864952171.db2.gz GZHPPADAHZBLEZ-UHFFFAOYSA-N 2 2 384.471 3.512 20 0 GHADLP COc1cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc(OC)c1OC ZINC000608071849 864962012 /nfs/dbraw/zinc/96/20/12/864962012.db2.gz KGKIMNOBURFCIJ-GOSISDBHSA-N 2 2 381.476 3.520 20 0 GHADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c[nH+]1 ZINC000897256772 864986513 /nfs/dbraw/zinc/98/65/13/864986513.db2.gz KZBDURZPMGDDLO-YJBOKZPZSA-N 2 2 392.906 3.528 20 0 GHADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c[nH+]1 ZINC000897256772 864986521 /nfs/dbraw/zinc/98/65/21/864986521.db2.gz KZBDURZPMGDDLO-YJBOKZPZSA-N 2 2 392.906 3.528 20 0 GHADLP Cc1ccc2c(C[NH+]3CC[C@@H](C[N@@H+](C)Cc4cccnc4)C3)ccc(O)c2n1 ZINC000554841883 864998716 /nfs/dbraw/zinc/99/87/16/864998716.db2.gz OIPKGYVJGLIZRM-IBGZPJMESA-N 2 2 376.504 3.598 20 0 GHADLP Cc1ccc2c(C[NH+]3CC[C@@H](C[N@H+](C)Cc4cccnc4)C3)ccc(O)c2n1 ZINC000554841883 864998722 /nfs/dbraw/zinc/99/87/22/864998722.db2.gz OIPKGYVJGLIZRM-IBGZPJMESA-N 2 2 376.504 3.598 20 0 GHADLP Cc1ccc2c(C[N@H+]3CC[C@@H](C[NH+](C)Cc4cccnc4)C3)ccc(O)c2n1 ZINC000554841883 864998731 /nfs/dbraw/zinc/99/87/31/864998731.db2.gz OIPKGYVJGLIZRM-IBGZPJMESA-N 2 2 376.504 3.598 20 0 GHADLP Cc1ccc2c(C[N@@H+]3CC[C@@H](C[NH+](C)Cc4cccnc4)C3)ccc(O)c2n1 ZINC000554841883 864998735 /nfs/dbraw/zinc/99/87/35/864998735.db2.gz OIPKGYVJGLIZRM-IBGZPJMESA-N 2 2 376.504 3.598 20 0 GHADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3cccc(Cn4cc[nH+]c4)c3)ccc21 ZINC000455950508 865058156 /nfs/dbraw/zinc/05/81/56/865058156.db2.gz ZPDXJLNNBSRKCX-JOCHJYFZSA-N 2 2 389.503 3.802 20 0 GHADLP CCC[NH+]1CCN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)CC1 ZINC000301129852 865177459 /nfs/dbraw/zinc/17/74/59/865177459.db2.gz XAYSUEAHLOLHNE-UHFFFAOYSA-N 2 2 395.576 3.952 20 0 GHADLP Brc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccncc2)CC1 ZINC000301308143 865275814 /nfs/dbraw/zinc/27/58/14/865275814.db2.gz CRCVAUAWMFYWJY-UHFFFAOYSA-N 2 2 383.293 3.715 20 0 GHADLP CC[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H](C)c1cccc(O)c1 ZINC000494534697 881865548 /nfs/dbraw/zinc/86/55/48/881865548.db2.gz XZAOMEFNJQPZGH-PMACEKPBSA-N 2 2 395.547 3.681 20 0 GHADLP CC[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H](C)c1cccc(O)c1 ZINC000494534697 881865570 /nfs/dbraw/zinc/86/55/70/881865570.db2.gz XZAOMEFNJQPZGH-PMACEKPBSA-N 2 2 395.547 3.681 20 0 GHADLP C[NH+](C)CCCOC1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301548476 865416450 /nfs/dbraw/zinc/41/64/50/865416450.db2.gz QBNYWZPDPHXZSR-UHFFFAOYSA-N 2 2 392.341 3.934 20 0 GHADLP COc1cccc(-n2ccn(C[NH+]3CCC(C[NH+]4CCCC4)CC3)c2=S)c1 ZINC000738070910 865478580 /nfs/dbraw/zinc/47/85/80/865478580.db2.gz CXVHQKBAYQOYBL-UHFFFAOYSA-N 2 2 386.565 3.782 20 0 GHADLP COc1ccc(OC)c([C@H](O)C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000738333365 865519726 /nfs/dbraw/zinc/51/97/26/865519726.db2.gz UWSJGJGQNJCEAJ-JXHRLWIKSA-N 2 2 398.547 3.722 20 0 GHADLP COc1ccc(OC)c([C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000738333365 865519730 /nfs/dbraw/zinc/51/97/30/865519730.db2.gz UWSJGJGQNJCEAJ-JXHRLWIKSA-N 2 2 398.547 3.722 20 0 GHADLP COc1ccc(OC)c([C@H](O)C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000738333365 865519735 /nfs/dbraw/zinc/51/97/35/865519735.db2.gz UWSJGJGQNJCEAJ-JXHRLWIKSA-N 2 2 398.547 3.722 20 0 GHADLP COc1ccc(OC)c([C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000738333365 865519745 /nfs/dbraw/zinc/51/97/45/865519745.db2.gz UWSJGJGQNJCEAJ-JXHRLWIKSA-N 2 2 398.547 3.722 20 0 GHADLP CCC[C@@H]1CCCC[C@@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000608669675 865573708 /nfs/dbraw/zinc/57/37/08/865573708.db2.gz YPVOOKSJEXORHX-UXHICEINSA-N 2 2 378.605 3.595 20 0 GHADLP Cc1cc(F)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000622843898 865587890 /nfs/dbraw/zinc/58/78/90/865587890.db2.gz MMTPOHYWKZBXHD-WOJBJXKFSA-N 2 2 393.522 3.682 20 0 GHADLP Cc1cc(F)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000622843898 865587896 /nfs/dbraw/zinc/58/78/96/865587896.db2.gz MMTPOHYWKZBXHD-WOJBJXKFSA-N 2 2 393.522 3.682 20 0 GHADLP Fc1cc(Br)ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173946474 865858887 /nfs/dbraw/zinc/85/88/87/865858887.db2.gz XSJWMKABVSGCAW-UHFFFAOYSA-N 2 2 385.321 3.665 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCc1ccc(Cl)cc1 ZINC000481169863 865914954 /nfs/dbraw/zinc/91/49/54/865914954.db2.gz JEXUEPNIHHAUIE-KGVIQGDOSA-N 2 2 399.966 3.845 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCc1ccc(Cl)cc1 ZINC000481169863 865914969 /nfs/dbraw/zinc/91/49/69/865914969.db2.gz JEXUEPNIHHAUIE-KGVIQGDOSA-N 2 2 399.966 3.845 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000481177128 865928963 /nfs/dbraw/zinc/92/89/63/865928963.db2.gz ZARXFWKMSGNPPX-HNAYVOBHSA-N 2 2 389.902 3.918 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000481177128 865928969 /nfs/dbraw/zinc/92/89/69/865928969.db2.gz ZARXFWKMSGNPPX-HNAYVOBHSA-N 2 2 389.902 3.918 20 0 GHADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000175008871 865964563 /nfs/dbraw/zinc/96/45/63/865964563.db2.gz IFRVBIQHZDYNPP-HZPDHXFCSA-N 2 2 377.330 3.802 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2cc(F)ccc2Cl)([NH+]2CCCCC2)CC1 ZINC000176063502 866111737 /nfs/dbraw/zinc/11/17/37/866111737.db2.gz UYZMXVXLYXYCIA-UHFFFAOYSA-N 2 2 382.911 3.551 20 0 GHADLP C[N@@H+]1CCC[C@H](c2cccc(C(=O)Nc3cccc(C[NH+]4CCOCC4)c3)c2)C1 ZINC000857028392 881944523 /nfs/dbraw/zinc/94/45/23/881944523.db2.gz PXYNXOZWRDAJKO-QFIPXVFZSA-N 2 2 393.531 3.580 20 0 GHADLP C[N@H+]1CCC[C@H](c2cccc(C(=O)Nc3cccc(C[NH+]4CCOCC4)c3)c2)C1 ZINC000857028392 881944536 /nfs/dbraw/zinc/94/45/36/881944536.db2.gz PXYNXOZWRDAJKO-QFIPXVFZSA-N 2 2 393.531 3.580 20 0 GHADLP CCC(C)(C)[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000665786223 866294988 /nfs/dbraw/zinc/29/49/88/866294988.db2.gz LCWNRKFHQWGWCA-DFQSSKMNSA-N 2 2 380.621 3.790 20 0 GHADLP CCC(C)(C)[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000665786223 866294995 /nfs/dbraw/zinc/29/49/95/866294995.db2.gz LCWNRKFHQWGWCA-DFQSSKMNSA-N 2 2 380.621 3.790 20 0 GHADLP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)o2)cc1 ZINC000153355244 866381751 /nfs/dbraw/zinc/38/17/51/866381751.db2.gz XOALIYGEGLCPLL-QGZVFWFLSA-N 2 2 393.487 3.921 20 0 GHADLP COC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)o2)cc1 ZINC000153355244 866381754 /nfs/dbraw/zinc/38/17/54/866381754.db2.gz XOALIYGEGLCPLL-QGZVFWFLSA-N 2 2 393.487 3.921 20 0 GHADLP Cc1sc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nc1C(C)C ZINC000667369109 866412367 /nfs/dbraw/zinc/41/23/67/866412367.db2.gz KJNCHNHQMNYEFI-UHFFFAOYSA-N 2 2 393.601 3.647 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CC34CCC4)ccn12 ZINC000620196041 866538153 /nfs/dbraw/zinc/53/81/53/866538153.db2.gz LDVAAGBZFAUXFA-NRFANRHFSA-N 2 2 388.515 3.675 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)ccn12 ZINC000620196041 866538164 /nfs/dbraw/zinc/53/81/64/866538164.db2.gz LDVAAGBZFAUXFA-NRFANRHFSA-N 2 2 388.515 3.675 20 0 GHADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([NH3+])(c2ccccc2OC)CC1 ZINC001170427100 881990878 /nfs/dbraw/zinc/99/08/78/881990878.db2.gz VGTIYRLAKQRTKL-SFHVURJKSA-N 2 2 382.504 3.695 20 0 GHADLP CCC(CC)[C@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[NH+](C)C ZINC000620418391 866732774 /nfs/dbraw/zinc/73/27/74/866732774.db2.gz OWWUNEDALKQPEN-KRWDZBQOSA-N 2 2 381.590 3.617 20 0 GHADLP CC1CC[NH+](C[C@H]2CCCN(C(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)C2)CC1 ZINC000553072877 866746426 /nfs/dbraw/zinc/74/64/26/866746426.db2.gz VIFDJFJYJWLBDK-IFMALSPDSA-N 2 2 394.563 3.902 20 0 GHADLP C[NH+](C)CCN(Cc1cccs1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553163156 866928820 /nfs/dbraw/zinc/92/88/20/866928820.db2.gz HFQZMNQRJMQDNA-LJQANCHMSA-N 2 2 382.533 3.584 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc(F)c3SC)CC2)CC1 ZINC000667420657 866969896 /nfs/dbraw/zinc/96/98/96/866969896.db2.gz XZHGTAQKJFJZPD-UHFFFAOYSA-N 2 2 394.560 3.572 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc(F)c3SC)CC2)CC1 ZINC000667420657 866969903 /nfs/dbraw/zinc/96/99/03/866969903.db2.gz XZHGTAQKJFJZPD-UHFFFAOYSA-N 2 2 394.560 3.572 20 0 GHADLP COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189898365 882036593 /nfs/dbraw/zinc/03/65/93/882036593.db2.gz GRQWMYMIFXARMG-QGZVFWFLSA-N 2 2 390.487 3.511 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC(C)(C)C[NH+]3CCCC3)n2)C1 ZINC000479216859 867370703 /nfs/dbraw/zinc/37/07/03/867370703.db2.gz ZVQFHRNYDCQWKU-MRXNPFEDSA-N 2 2 393.601 3.619 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC(C)(C)C[NH+]3CCCC3)n2)C1 ZINC000479216859 867370715 /nfs/dbraw/zinc/37/07/15/867370715.db2.gz ZVQFHRNYDCQWKU-MRXNPFEDSA-N 2 2 393.601 3.619 20 0 GHADLP CSc1ccc(Cl)c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000667466537 867580907 /nfs/dbraw/zinc/58/09/07/867580907.db2.gz BHIHOJOSQNEKMU-UHFFFAOYSA-N 2 2 396.988 3.742 20 0 GHADLP Clc1cc(CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc2c1OCCCO2 ZINC000553615563 867760850 /nfs/dbraw/zinc/76/08/50/867760850.db2.gz KUHDVDGVAODITC-GOSISDBHSA-N 2 2 378.944 3.852 20 0 GHADLP Clc1cc(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc2c1OCCCO2 ZINC000553615563 867760858 /nfs/dbraw/zinc/76/08/58/867760858.db2.gz KUHDVDGVAODITC-GOSISDBHSA-N 2 2 378.944 3.852 20 0 GHADLP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000667530922 868251374 /nfs/dbraw/zinc/25/13/74/868251374.db2.gz PPFJZGFPNFREBC-OALUTQOASA-N 2 2 389.286 3.664 20 0 GHADLP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000667530922 868251389 /nfs/dbraw/zinc/25/13/89/868251389.db2.gz PPFJZGFPNFREBC-OALUTQOASA-N 2 2 389.286 3.664 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000156253563 868301812 /nfs/dbraw/zinc/30/18/12/868301812.db2.gz ZJTGPMZDJULURJ-OAHLLOKOSA-N 2 2 382.899 3.635 20 0 GHADLP COc1ccc(-c2nc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)no2)cc1 ZINC000121622106 882186568 /nfs/dbraw/zinc/18/65/68/882186568.db2.gz QIJAJFHFJHCNBD-UHFFFAOYSA-N 2 2 384.524 3.833 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667590014 868876578 /nfs/dbraw/zinc/87/65/78/868876578.db2.gz IXEQSLUTFGUZFS-UHFFFAOYSA-N 3 2 375.520 3.611 20 0 GHADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667590014 868876588 /nfs/dbraw/zinc/87/65/88/868876588.db2.gz IXEQSLUTFGUZFS-UHFFFAOYSA-N 3 2 375.520 3.611 20 0 GHADLP CC[C@@H](C)[C@@H]([NH2+]CCCn1cc[nH+]c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000539493486 869214796 /nfs/dbraw/zinc/21/47/96/869214796.db2.gz TUKWMGQILXUGQP-NFBKMPQASA-N 2 2 396.579 3.759 20 0 GHADLP CCC(CC)[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000524598242 869325710 /nfs/dbraw/zinc/32/57/10/869325710.db2.gz MTKWFTBVJMBJJG-FQEVSTJZSA-N 2 2 394.629 3.893 20 0 GHADLP CCC(CC)[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000524598242 869325718 /nfs/dbraw/zinc/32/57/18/869325718.db2.gz MTKWFTBVJMBJJG-FQEVSTJZSA-N 2 2 394.629 3.893 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000462506969 869571200 /nfs/dbraw/zinc/57/12/00/869571200.db2.gz SVKAWLPBCKIDKY-RBUKOAKNSA-N 2 2 392.613 3.791 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000462506969 869571209 /nfs/dbraw/zinc/57/12/09/869571209.db2.gz SVKAWLPBCKIDKY-RBUKOAKNSA-N 2 2 392.613 3.791 20 0 GHADLP Cc1cccnc1[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C(C)C ZINC000121934967 882322300 /nfs/dbraw/zinc/32/23/00/882322300.db2.gz WWZXFMNLGLQHIT-OFNKIYASSA-N 2 2 394.563 3.582 20 0 GHADLP COc1cccc([C@@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)[NH+](C)C)c1 ZINC000133666094 882325463 /nfs/dbraw/zinc/32/54/63/882325463.db2.gz PLCDKVPHSBCBRI-XMMPIXPASA-N 2 2 399.554 3.734 20 0 GHADLP COc1cccc([C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)N(C)C)c1 ZINC000133666094 882325481 /nfs/dbraw/zinc/32/54/81/882325481.db2.gz PLCDKVPHSBCBRI-XMMPIXPASA-N 2 2 399.554 3.734 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccc(-c3ccccc3F)o2)CC[N@H+](Cc2ccccc2)C1 ZINC000524945198 869826784 /nfs/dbraw/zinc/82/67/84/869826784.db2.gz OPIGGPVCGLNLOU-QHCPKHFHSA-N 2 2 380.463 3.812 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccc(-c3ccccc3F)o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000524945198 869826792 /nfs/dbraw/zinc/82/67/92/869826792.db2.gz OPIGGPVCGLNLOU-QHCPKHFHSA-N 2 2 380.463 3.812 20 0 GHADLP CC(C)Cc1ncc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000539823707 869852828 /nfs/dbraw/zinc/85/28/28/869852828.db2.gz KEWTYQFIBDZLOP-UHFFFAOYSA-N 3 2 392.657 3.970 20 0 GHADLP CC(C)Cc1ncc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000539823707 869852839 /nfs/dbraw/zinc/85/28/39/869852839.db2.gz KEWTYQFIBDZLOP-UHFFFAOYSA-N 3 2 392.657 3.970 20 0 GHADLP CC[N@@H+](Cc1c(C)nc2sc(C)nn12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539863642 869915057 /nfs/dbraw/zinc/91/50/57/869915057.db2.gz MPQQFJUAOIRTNT-LJQANCHMSA-N 2 2 383.565 3.752 20 0 GHADLP CC[N@H+](Cc1c(C)nc2sc(C)nn12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539863642 869915062 /nfs/dbraw/zinc/91/50/62/869915062.db2.gz MPQQFJUAOIRTNT-LJQANCHMSA-N 2 2 383.565 3.752 20 0 GHADLP CC[NH+](Cc1c(C)nc2sc(C)nn12)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539863642 869915067 /nfs/dbraw/zinc/91/50/67/869915067.db2.gz MPQQFJUAOIRTNT-LJQANCHMSA-N 2 2 383.565 3.752 20 0 GHADLP CC[NH+](Cc1c(C)nc2sc(C)nn12)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539863642 869915071 /nfs/dbraw/zinc/91/50/71/869915071.db2.gz MPQQFJUAOIRTNT-LJQANCHMSA-N 2 2 383.565 3.752 20 0 GHADLP COCc1cccc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000462745651 870011776 /nfs/dbraw/zinc/01/17/76/870011776.db2.gz QLPFKPUXHSUPDD-UHFFFAOYSA-N 2 2 387.955 3.788 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000462787517 870080851 /nfs/dbraw/zinc/08/08/51/870080851.db2.gz KOTXFNCIWJXPJA-QGZVFWFLSA-N 2 2 382.957 3.884 20 0 GHADLP COC(=O)C1(c2ccc(C[NH2+]C(C)(C)C[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC001192272171 870255662 /nfs/dbraw/zinc/25/56/62/870255662.db2.gz PYWGCAHUOAHENK-UHFFFAOYSA-N 2 2 380.532 3.891 20 0 GHADLP COC(=O)C1(c2ccc(C[NH2+]C(C)(C)C[N@@H+](C)Cc3ccccc3)cc2)CC1 ZINC001192272171 870255678 /nfs/dbraw/zinc/25/56/78/870255678.db2.gz PYWGCAHUOAHENK-UHFFFAOYSA-N 2 2 380.532 3.891 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@@H]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]13)n2C ZINC000248642556 870572102 /nfs/dbraw/zinc/57/21/02/870572102.db2.gz OUBXOIHIQZGSDW-HMXCVIKNSA-N 2 2 390.531 3.582 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]13)n2C ZINC000248642556 870572117 /nfs/dbraw/zinc/57/21/17/870572117.db2.gz OUBXOIHIQZGSDW-HMXCVIKNSA-N 2 2 390.531 3.582 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Br ZINC000538799292 870630415 /nfs/dbraw/zinc/63/04/15/870630415.db2.gz XKXAZJYNTPXEPI-MAUKXSAKSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Br ZINC000538799292 870630424 /nfs/dbraw/zinc/63/04/24/870630424.db2.gz XKXAZJYNTPXEPI-MAUKXSAKSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC000538799292 870630433 /nfs/dbraw/zinc/63/04/33/870630433.db2.gz XKXAZJYNTPXEPI-MAUKXSAKSA-N 2 2 379.342 3.906 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Br ZINC000538799292 870630441 /nfs/dbraw/zinc/63/04/41/870630441.db2.gz XKXAZJYNTPXEPI-MAUKXSAKSA-N 2 2 379.342 3.906 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000446975212 870834803 /nfs/dbraw/zinc/83/48/03/870834803.db2.gz PZXULLKYMLJLBZ-KSSFIOAISA-N 2 2 394.357 3.773 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000446975212 870834816 /nfs/dbraw/zinc/83/48/16/870834816.db2.gz PZXULLKYMLJLBZ-KSSFIOAISA-N 2 2 394.357 3.773 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn3cc(Cl)cc(Cl)c3n2)[C@@H](C)C1 ZINC000249449198 870835711 /nfs/dbraw/zinc/83/57/11/870835711.db2.gz OBXGPEPKFHTHLC-KBXCAEBGSA-N 2 2 399.366 3.868 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn3cc(Cl)cc(Cl)c3n2)[C@@H](C)C1 ZINC000249449198 870835721 /nfs/dbraw/zinc/83/57/21/870835721.db2.gz OBXGPEPKFHTHLC-KBXCAEBGSA-N 2 2 399.366 3.868 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000249470590 870840628 /nfs/dbraw/zinc/84/06/28/870840628.db2.gz UHZUXEDSHMZDQC-GHTZIAJQSA-N 2 2 383.536 3.505 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000249470590 870840639 /nfs/dbraw/zinc/84/06/39/870840639.db2.gz UHZUXEDSHMZDQC-GHTZIAJQSA-N 2 2 383.536 3.505 20 0 GHADLP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000429699113 871048904 /nfs/dbraw/zinc/04/89/04/871048904.db2.gz DQULGIAPXRWGEK-QFIPXVFZSA-N 2 2 381.520 3.843 20 0 GHADLP Cc1ccc([C@@H]2CCCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000525634453 871116727 /nfs/dbraw/zinc/11/67/27/871116727.db2.gz VRQVDYVWPVRUPJ-QFIPXVFZSA-N 2 2 392.547 3.656 20 0 GHADLP Cc1ccc([C@@H]2CCCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000525634453 871116740 /nfs/dbraw/zinc/11/67/40/871116740.db2.gz VRQVDYVWPVRUPJ-QFIPXVFZSA-N 2 2 392.547 3.656 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CN1Cc1ccccc1 ZINC000766574577 871161734 /nfs/dbraw/zinc/16/17/34/871161734.db2.gz HDBVXCBTDYQPOM-NFBKMPQASA-N 2 2 392.591 3.974 20 0 GHADLP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000525696949 871224753 /nfs/dbraw/zinc/22/47/53/871224753.db2.gz ISGGTJGXFRISQD-UHFFFAOYSA-N 2 2 387.833 3.993 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000463237833 871233196 /nfs/dbraw/zinc/23/31/96/871233196.db2.gz OIAPRGURDVXLOI-IBGZPJMESA-N 2 2 377.960 3.655 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000463237833 871233216 /nfs/dbraw/zinc/23/32/16/871233216.db2.gz OIAPRGURDVXLOI-IBGZPJMESA-N 2 2 377.960 3.655 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000428477850 871330852 /nfs/dbraw/zinc/33/08/52/871330852.db2.gz FPIHVIMNJLNCNH-TZIWHRDSSA-N 2 2 397.567 3.703 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000428477850 871330872 /nfs/dbraw/zinc/33/08/72/871330872.db2.gz FPIHVIMNJLNCNH-TZIWHRDSSA-N 2 2 397.567 3.703 20 0 GHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000252643936 871338995 /nfs/dbraw/zinc/33/89/95/871338995.db2.gz HWNGNDSQRKUQPG-HYBUGGRVSA-N 3 2 380.580 3.924 20 0 GHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000252643936 871339013 /nfs/dbraw/zinc/33/90/13/871339013.db2.gz HWNGNDSQRKUQPG-HYBUGGRVSA-N 3 2 380.580 3.924 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000463304146 871393381 /nfs/dbraw/zinc/39/33/81/871393381.db2.gz JGLICEHJXYOGRA-MOPGFXCFSA-N 2 2 392.613 3.504 20 0 GHADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000463304146 871393399 /nfs/dbraw/zinc/39/33/99/871393399.db2.gz JGLICEHJXYOGRA-MOPGFXCFSA-N 2 2 392.613 3.504 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000463304147 871394026 /nfs/dbraw/zinc/39/40/26/871394026.db2.gz JGLICEHJXYOGRA-OALUTQOASA-N 2 2 392.613 3.504 20 0 GHADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000463304147 871394041 /nfs/dbraw/zinc/39/40/41/871394041.db2.gz JGLICEHJXYOGRA-OALUTQOASA-N 2 2 392.613 3.504 20 0 GHADLP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000462007942 871457533 /nfs/dbraw/zinc/45/75/33/871457533.db2.gz SJYYJNQDGIWAIT-QHCPKHFHSA-N 2 2 391.559 3.822 20 0 GHADLP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000462007942 871457548 /nfs/dbraw/zinc/45/75/48/871457548.db2.gz SJYYJNQDGIWAIT-QHCPKHFHSA-N 2 2 391.559 3.822 20 0 GHADLP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000462007941 871457769 /nfs/dbraw/zinc/45/77/69/871457769.db2.gz SJYYJNQDGIWAIT-HSZRJFAPSA-N 2 2 391.559 3.822 20 0 GHADLP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000462007941 871457781 /nfs/dbraw/zinc/45/77/81/871457781.db2.gz SJYYJNQDGIWAIT-HSZRJFAPSA-N 2 2 391.559 3.822 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181753195 871461336 /nfs/dbraw/zinc/46/13/36/871461336.db2.gz JKXCUSVGZIKHDN-NRFANRHFSA-N 2 2 398.551 3.512 20 0 GHADLP Cc1[nH]c2ccc(N[C@H]3C[C@H](C(=O)OCc4ccccc4)CCC[NH2+]3)cc2[nH+]1 ZINC001169519169 871591945 /nfs/dbraw/zinc/59/19/45/871591945.db2.gz NITVCNQKCUPFSA-UTKZUKDTSA-N 2 2 378.476 3.742 20 0 GHADLP Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC001169831330 871900392 /nfs/dbraw/zinc/90/03/92/871900392.db2.gz QDVXLXKQIQAUAV-VXKWHMMOSA-N 2 2 397.950 3.786 20 0 GHADLP Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC001169831330 871900412 /nfs/dbraw/zinc/90/04/12/871900412.db2.gz QDVXLXKQIQAUAV-VXKWHMMOSA-N 2 2 397.950 3.786 20 0 GHADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000552036154 871912982 /nfs/dbraw/zinc/91/29/82/871912982.db2.gz YELPYWULCFVZHH-FKBYEOEOSA-N 2 2 392.547 3.976 20 0 GHADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000552036154 871912991 /nfs/dbraw/zinc/91/29/91/871912991.db2.gz YELPYWULCFVZHH-FKBYEOEOSA-N 2 2 392.547 3.976 20 0 GHADLP Cn1c[nH+]cc1-c1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001194907105 872025342 /nfs/dbraw/zinc/02/53/42/872025342.db2.gz KWPOTGDHWIYINT-FQEVSTJZSA-N 2 2 388.515 3.729 20 0 GHADLP Cn1c[nH+]cc1-c1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001194907105 872025351 /nfs/dbraw/zinc/02/53/51/872025351.db2.gz KWPOTGDHWIYINT-FQEVSTJZSA-N 2 2 388.515 3.729 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000093692966 872348308 /nfs/dbraw/zinc/34/83/08/872348308.db2.gz ZKZLNFPCWINREO-IBGZPJMESA-N 2 2 383.536 3.833 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000093692966 872348325 /nfs/dbraw/zinc/34/83/25/872348325.db2.gz ZKZLNFPCWINREO-IBGZPJMESA-N 2 2 383.536 3.833 20 0 GHADLP CN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463726729 872416410 /nfs/dbraw/zinc/41/64/10/872416410.db2.gz ILTGJSQTLZMAIV-UHFFFAOYSA-N 2 2 381.524 3.836 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001195677845 872546654 /nfs/dbraw/zinc/54/66/54/872546654.db2.gz QJOJXKNKWHNYQT-LJQANCHMSA-N 2 2 378.438 3.777 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001195677845 872546666 /nfs/dbraw/zinc/54/66/66/872546666.db2.gz QJOJXKNKWHNYQT-LJQANCHMSA-N 2 2 378.438 3.777 20 0 GHADLP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2cccnc2Cl)CC1 ZINC000182741733 872739900 /nfs/dbraw/zinc/73/99/00/872739900.db2.gz NSTHSKLHNPCVQM-INIZCTEOSA-N 2 2 380.964 3.896 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000152920960 872980330 /nfs/dbraw/zinc/98/03/30/872980330.db2.gz QNTABKJLGSCXPX-HNAYVOBHSA-N 2 2 397.548 3.905 20 0 GHADLP CC(C)[C@@H](NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000541201591 873125240 /nfs/dbraw/zinc/12/52/40/873125240.db2.gz SGZIZEYQOITTAC-HSZRJFAPSA-N 2 2 382.552 3.889 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000541201318 873126400 /nfs/dbraw/zinc/12/64/00/873126400.db2.gz MLBPNYCFQXDMDH-KRWDZBQOSA-N 2 2 388.943 3.906 20 0 GHADLP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541238876 873201822 /nfs/dbraw/zinc/20/18/22/873201822.db2.gz VOCQIFMZZXQRCB-QFIPXVFZSA-N 2 2 398.526 3.706 20 0 GHADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541238876 873201841 /nfs/dbraw/zinc/20/18/41/873201841.db2.gz VOCQIFMZZXQRCB-QFIPXVFZSA-N 2 2 398.526 3.706 20 0 GHADLP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2ccncc2Cl)CC1 ZINC000527669074 873428805 /nfs/dbraw/zinc/42/88/05/873428805.db2.gz XDZPPYIAALXMQH-UHFFFAOYSA-N 2 2 398.860 3.795 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C[C@H]3CCCC[N@H+](Cc4ccccc4)C3)cs2)cn1 ZINC000527708815 873472106 /nfs/dbraw/zinc/47/21/06/873472106.db2.gz BLJUYCYGACTZRA-LJQANCHMSA-N 2 2 395.576 3.936 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)cs2)cn1 ZINC000527708815 873472111 /nfs/dbraw/zinc/47/21/11/873472111.db2.gz BLJUYCYGACTZRA-LJQANCHMSA-N 2 2 395.576 3.936 20 0 GHADLP OCC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1Br ZINC000541383048 873484298 /nfs/dbraw/zinc/48/42/98/873484298.db2.gz GIFNSPUQBYEETM-KRWDZBQOSA-N 2 2 392.322 3.910 20 0 GHADLP O=C(CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC001197263987 873682442 /nfs/dbraw/zinc/68/24/42/873682442.db2.gz IKLIGUMGUCFDJT-GOTSBHOMSA-N 2 2 388.515 3.798 20 0 GHADLP Cc1cc(-c2noc([C@@H](C)[N@@H+]3CCN(c4cc[nH+]cc4)[C@@H](C)C3)n2)ccc1F ZINC001197368625 873777503 /nfs/dbraw/zinc/77/75/03/873777503.db2.gz KGDLBKRAPHZUNM-JKSUJKDBSA-N 2 2 381.455 3.851 20 0 GHADLP Cc1cc(-c2noc([C@@H](C)[N@H+]3CCN(c4cc[nH+]cc4)[C@@H](C)C3)n2)ccc1F ZINC001197368625 873777512 /nfs/dbraw/zinc/77/75/12/873777512.db2.gz KGDLBKRAPHZUNM-JKSUJKDBSA-N 2 2 381.455 3.851 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000541535951 873824867 /nfs/dbraw/zinc/82/48/67/873824867.db2.gz PRZUCPPUCQPXHC-UHFFFAOYSA-N 2 2 381.455 3.564 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000541535951 873824879 /nfs/dbraw/zinc/82/48/79/873824879.db2.gz PRZUCPPUCQPXHC-UHFFFAOYSA-N 2 2 381.455 3.564 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000122919890 882780682 /nfs/dbraw/zinc/78/06/82/882780682.db2.gz JSDYJIXROSVSDF-UHFFFAOYSA-N 2 2 381.520 3.577 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000122919890 882780683 /nfs/dbraw/zinc/78/06/83/882780683.db2.gz JSDYJIXROSVSDF-UHFFFAOYSA-N 2 2 381.520 3.577 20 0 GHADLP Cc1cc(NC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)cnc1OC(C)C ZINC001198019346 874166149 /nfs/dbraw/zinc/16/61/49/874166149.db2.gz YJPKLIXGHYWWHU-UHFFFAOYSA-N 2 2 398.551 3.813 20 0 GHADLP Cc1cc(NC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)cnc1OC(C)C ZINC001198019346 874166160 /nfs/dbraw/zinc/16/61/60/874166160.db2.gz YJPKLIXGHYWWHU-UHFFFAOYSA-N 2 2 398.551 3.813 20 0 GHADLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)NC(=O)OC(C)(C)C ZINC000769696870 874238017 /nfs/dbraw/zinc/23/80/17/874238017.db2.gz PNDLTFNVLBUDHL-LSDHHAIUSA-N 2 2 376.476 3.793 20 0 GHADLP Fc1cc(C[NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)ccn1 ZINC000858095159 882839496 /nfs/dbraw/zinc/83/94/96/882839496.db2.gz MCMIKRXFUMZQSC-UHFFFAOYSA-N 2 2 396.432 3.541 20 0 GHADLP C[C@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000449167584 874563833 /nfs/dbraw/zinc/56/38/33/874563833.db2.gz KLSXOOOPIPQQBZ-SJORKVTESA-N 2 2 383.517 3.730 20 0 GHADLP CCN(C(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000464842088 874611242 /nfs/dbraw/zinc/61/12/42/874611242.db2.gz FBZLOSDAJPHMDA-RBBKRZOGSA-N 2 2 379.548 3.882 20 0 GHADLP CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000464842088 874611246 /nfs/dbraw/zinc/61/12/46/874611246.db2.gz FBZLOSDAJPHMDA-RBBKRZOGSA-N 2 2 379.548 3.882 20 0 GHADLP CCN(C(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000464842088 874611253 /nfs/dbraw/zinc/61/12/53/874611253.db2.gz FBZLOSDAJPHMDA-RBBKRZOGSA-N 2 2 379.548 3.882 20 0 GHADLP CCN(C(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000464842088 874611259 /nfs/dbraw/zinc/61/12/59/874611259.db2.gz FBZLOSDAJPHMDA-RBBKRZOGSA-N 2 2 379.548 3.882 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000770372772 874613185 /nfs/dbraw/zinc/61/31/85/874613185.db2.gz GGKQKVWUFPJLSC-HKUYNNGSSA-N 2 2 386.540 3.877 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000770372772 874613190 /nfs/dbraw/zinc/61/31/90/874613190.db2.gz GGKQKVWUFPJLSC-HKUYNNGSSA-N 2 2 386.540 3.877 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000770372772 874613195 /nfs/dbraw/zinc/61/31/95/874613195.db2.gz GGKQKVWUFPJLSC-HKUYNNGSSA-N 2 2 386.540 3.877 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000770372772 874613199 /nfs/dbraw/zinc/61/31/99/874613199.db2.gz GGKQKVWUFPJLSC-HKUYNNGSSA-N 2 2 386.540 3.877 20 0 GHADLP C[NH+](C)Cc1nc(CSCCNc2ccc(C3([NH3+])CCC3)cc2)cs1 ZINC001168107966 874641836 /nfs/dbraw/zinc/64/18/36/874641836.db2.gz AGADBYPPLUHLAH-UHFFFAOYSA-N 2 2 376.595 3.888 20 0 GHADLP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134372010 882866538 /nfs/dbraw/zinc/86/65/38/882866538.db2.gz FJQFQMPNXOUYJT-QGZVFWFLSA-N 2 2 385.321 3.666 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(CNC2CC[NH+](Cc3cccnc3)CC2)CCC1 ZINC000449480606 874913702 /nfs/dbraw/zinc/91/37/02/874913702.db2.gz ZGNAKCGDNOUAOX-UHFFFAOYSA-N 2 2 378.564 3.690 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(CNC2CC[NH+](Cc3cccnc3)CC2)CCC1 ZINC000449480606 874913712 /nfs/dbraw/zinc/91/37/12/874913712.db2.gz ZGNAKCGDNOUAOX-UHFFFAOYSA-N 2 2 378.564 3.690 20 0 GHADLP Fc1ccc(C2(C[NH2+]Cc3ccc(OCC[NH+]4CCOCC4)cc3)CCC2)cc1 ZINC001199952378 875253104 /nfs/dbraw/zinc/25/31/04/875253104.db2.gz REHDOWMOQCVIHN-UHFFFAOYSA-N 2 2 398.522 3.748 20 0 GHADLP CN(C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771769503 875474743 /nfs/dbraw/zinc/47/47/43/875474743.db2.gz SIXCDKKOZLGAQL-JBACZVJFSA-N 2 2 392.632 3.649 20 0 GHADLP CN(C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771769503 875474748 /nfs/dbraw/zinc/47/47/48/875474748.db2.gz SIXCDKKOZLGAQL-JBACZVJFSA-N 2 2 392.632 3.649 20 0 GHADLP COc1cccc([C@@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)OC)c1 ZINC000858204165 882938382 /nfs/dbraw/zinc/93/83/82/882938382.db2.gz IHRKXUZZFBKHHD-HSZRJFAPSA-N 2 2 383.536 3.707 20 0 GHADLP CN(C(=O)c1ccc2cnccc2c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450228464 876091729 /nfs/dbraw/zinc/09/17/29/876091729.db2.gz UNLUPBWRZSHRAC-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccc2cnccc2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450228464 876091734 /nfs/dbraw/zinc/09/17/34/876091734.db2.gz UNLUPBWRZSHRAC-DHIUTWEWSA-N 2 2 394.563 3.644 20 0 GHADLP CC[C@H](C)[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000303956634 876123249 /nfs/dbraw/zinc/12/32/49/876123249.db2.gz KPUWASCURUHUST-UNMCSNQZSA-N 2 2 385.596 3.883 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001170050773 876260951 /nfs/dbraw/zinc/26/09/51/876260951.db2.gz DITATWTZCGLQHY-MBOZVWFJSA-N 2 2 384.524 3.996 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000529543431 876295154 /nfs/dbraw/zinc/29/51/54/876295154.db2.gz AJYBAMITVBYLAE-IRXDYDNUSA-N 2 2 384.467 3.740 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000529543431 876295166 /nfs/dbraw/zinc/29/51/66/876295166.db2.gz AJYBAMITVBYLAE-IRXDYDNUSA-N 2 2 384.467 3.740 20 0 GHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)C2)C1 ZINC000529583623 876358418 /nfs/dbraw/zinc/35/84/18/876358418.db2.gz BVBYEUDXOFKMBP-QGZVFWFLSA-N 2 2 395.370 3.818 20 0 GHADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)C2)C1 ZINC000529583623 876358434 /nfs/dbraw/zinc/35/84/34/876358434.db2.gz BVBYEUDXOFKMBP-QGZVFWFLSA-N 2 2 395.370 3.818 20 0 GHADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3c[nH]nc3-c3ccc(Br)s3)C2)C1 ZINC000529583623 876358450 /nfs/dbraw/zinc/35/84/50/876358450.db2.gz BVBYEUDXOFKMBP-QGZVFWFLSA-N 2 2 395.370 3.818 20 0 GHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(Br)s3)C2)C1 ZINC000529583623 876358467 /nfs/dbraw/zinc/35/84/67/876358467.db2.gz BVBYEUDXOFKMBP-QGZVFWFLSA-N 2 2 395.370 3.818 20 0 GHADLP COC[C@H](C)Oc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000850160775 876705437 /nfs/dbraw/zinc/70/54/37/876705437.db2.gz ZIYNHRMLTWHWRN-IBGZPJMESA-N 2 2 397.563 3.925 20 0 GHADLP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000450710687 876803172 /nfs/dbraw/zinc/80/31/72/876803172.db2.gz DGCSIOAKEVUZNZ-UHFFFAOYSA-N 2 2 380.598 3.814 20 0 GHADLP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000174430488 877022020 /nfs/dbraw/zinc/02/20/20/877022020.db2.gz UMPKHRJUGHHMKS-UHFFFAOYSA-N 2 2 386.565 3.893 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000451022958 877202888 /nfs/dbraw/zinc/20/28/88/877202888.db2.gz SYDSHUCYMKTCOZ-FQEVSTJZSA-N 2 2 389.975 3.769 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000451022958 877202905 /nfs/dbraw/zinc/20/29/05/877202905.db2.gz SYDSHUCYMKTCOZ-FQEVSTJZSA-N 2 2 389.975 3.769 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000174895625 877316872 /nfs/dbraw/zinc/31/68/72/877316872.db2.gz CHZLNLCXRQEAFB-QHCPKHFHSA-N 2 2 394.563 3.840 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000174895625 877316894 /nfs/dbraw/zinc/31/68/94/877316894.db2.gz CHZLNLCXRQEAFB-QHCPKHFHSA-N 2 2 394.563 3.840 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](c3ccco3)N3CCCC3)CC2)cc1 ZINC000152286029 877577535 /nfs/dbraw/zinc/57/75/35/877577535.db2.gz KKCKMJPDGSWWGC-JOCHJYFZSA-N 2 2 382.552 3.741 20 0 GHADLP COc1ccccc1C[C@@H](C)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551700076 877667168 /nfs/dbraw/zinc/66/71/68/877667168.db2.gz UVTQEOGIUOJWNE-NFBKMPQASA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccccc1C[C@@H](C)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551700076 877667172 /nfs/dbraw/zinc/66/71/72/877667172.db2.gz UVTQEOGIUOJWNE-NFBKMPQASA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccccc1C[C@@H](C)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551700076 877667175 /nfs/dbraw/zinc/66/71/75/877667175.db2.gz UVTQEOGIUOJWNE-NFBKMPQASA-N 2 2 382.548 3.849 20 0 GHADLP COc1ccccc1C[C@@H](C)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551700076 877667181 /nfs/dbraw/zinc/66/71/81/877667181.db2.gz UVTQEOGIUOJWNE-NFBKMPQASA-N 2 2 382.548 3.849 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H](c3ccccc3)[C@@H]3CCOC3)C2)cc1 ZINC000551701495 877667873 /nfs/dbraw/zinc/66/78/73/877667873.db2.gz CYIWZYOJHHIWEH-WXFUMESZSA-N 2 2 380.532 3.645 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H](c3ccccc3)[C@@H]3CCOC3)C2)cc1 ZINC000551701495 877667885 /nfs/dbraw/zinc/66/78/85/877667885.db2.gz CYIWZYOJHHIWEH-WXFUMESZSA-N 2 2 380.532 3.645 20 0 GHADLP COc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000245408720 877818115 /nfs/dbraw/zinc/81/81/15/877818115.db2.gz IPGQAOBECWMYBA-RTWAWAEBSA-N 2 2 394.563 3.685 20 0 GHADLP COc1cccc([C@@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000245408720 877818123 /nfs/dbraw/zinc/81/81/23/877818123.db2.gz IPGQAOBECWMYBA-RTWAWAEBSA-N 2 2 394.563 3.685 20 0 GHADLP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451473619 878020773 /nfs/dbraw/zinc/02/07/73/878020773.db2.gz WPQQOQXQICXNLP-NQIIRXRSSA-N 2 2 384.568 3.723 20 0 GHADLP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451473619 878020777 /nfs/dbraw/zinc/02/07/77/878020777.db2.gz WPQQOQXQICXNLP-NQIIRXRSSA-N 2 2 384.568 3.723 20 0 GHADLP CN(C(=O)Nc1ccc2c(c1)CCC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245576643 878134692 /nfs/dbraw/zinc/13/46/92/878134692.db2.gz GBYHSIMVRVJIOR-DHIUTWEWSA-N 2 2 398.595 3.976 20 0 GHADLP CN(C(=O)Nc1ccc2c(c1)CCC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245576643 878134699 /nfs/dbraw/zinc/13/46/99/878134699.db2.gz GBYHSIMVRVJIOR-DHIUTWEWSA-N 2 2 398.595 3.976 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534189 878156689 /nfs/dbraw/zinc/15/66/89/878156689.db2.gz MXTCDWBUMYPBKB-PKOBYXMFSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534189 878156698 /nfs/dbraw/zinc/15/66/98/878156698.db2.gz MXTCDWBUMYPBKB-PKOBYXMFSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534189 878156703 /nfs/dbraw/zinc/15/67/03/878156703.db2.gz MXTCDWBUMYPBKB-PKOBYXMFSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534189 878156719 /nfs/dbraw/zinc/15/67/19/878156719.db2.gz MXTCDWBUMYPBKB-PKOBYXMFSA-N 2 2 377.960 3.667 20 0 GHADLP CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245632152 878249696 /nfs/dbraw/zinc/24/96/96/878249696.db2.gz DQYUSICZGXZQHF-WOJBJXKFSA-N 2 2 377.960 3.749 20 0 GHADLP CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245632152 878249708 /nfs/dbraw/zinc/24/97/08/878249708.db2.gz DQYUSICZGXZQHF-WOJBJXKFSA-N 2 2 377.960 3.749 20 0 GHADLP CCc1nn(C)c(Cl)c1C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564611 912344061 /nfs/dbraw/zinc/34/40/61/912344061.db2.gz LYLXQBBFYNMLKN-UHFFFAOYSA-N 2 2 375.948 3.769 20 0 GHADLP CCc1nn(C)c(Cl)c1C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564611 912344090 /nfs/dbraw/zinc/34/40/90/912344090.db2.gz LYLXQBBFYNMLKN-UHFFFAOYSA-N 2 2 375.948 3.769 20 0 GHADLP CN(C(=O)CCc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245736391 878500906 /nfs/dbraw/zinc/50/09/06/878500906.db2.gz SZVSDTJAMXSZEW-FCHUYYIVSA-N 2 2 389.559 3.554 20 0 GHADLP CN(C(=O)CCc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245736391 878500924 /nfs/dbraw/zinc/50/09/24/878500924.db2.gz SZVSDTJAMXSZEW-FCHUYYIVSA-N 2 2 389.559 3.554 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CCC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000616381033 878803194 /nfs/dbraw/zinc/80/31/94/878803194.db2.gz HNSUNECWXWKPHZ-VWNXMTODSA-N 2 2 397.607 3.664 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CCC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000616381033 878803204 /nfs/dbraw/zinc/80/32/04/878803204.db2.gz HNSUNECWXWKPHZ-VWNXMTODSA-N 2 2 397.607 3.664 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CCCS2 ZINC000853233201 878916198 /nfs/dbraw/zinc/91/61/98/878916198.db2.gz BVOFWQZWDROPOA-HLLBOEOZSA-N 2 2 397.382 3.829 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCCS2 ZINC000853233201 878916213 /nfs/dbraw/zinc/91/62/13/878916213.db2.gz BVOFWQZWDROPOA-HLLBOEOZSA-N 2 2 397.382 3.829 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000531067931 879058847 /nfs/dbraw/zinc/05/88/47/879058847.db2.gz FUKNHQLQJDUNFE-FQEVSTJZSA-N 2 2 382.895 3.618 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000178770627 879221304 /nfs/dbraw/zinc/22/13/04/879221304.db2.gz RVHANBULBRVODD-SFHVURJKSA-N 3 2 390.591 3.881 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cnc(-c3ccsc3)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000531240009 879387374 /nfs/dbraw/zinc/38/73/74/879387374.db2.gz BCJFIWXTTVTAMK-HXUWFJFHSA-N 2 2 385.558 3.598 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cnc(-c3ccsc3)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000531240009 879387389 /nfs/dbraw/zinc/38/73/89/879387389.db2.gz BCJFIWXTTVTAMK-HXUWFJFHSA-N 2 2 385.558 3.598 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)[C@@H](C)C1 ZINC000246340304 879426259 /nfs/dbraw/zinc/42/62/59/879426259.db2.gz GVZQAPYPKAAODV-FZMZJTMJSA-N 2 2 377.273 3.870 20 0 GHADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)[C@@H](C)C1 ZINC000246340304 879426267 /nfs/dbraw/zinc/42/62/67/879426267.db2.gz GVZQAPYPKAAODV-FZMZJTMJSA-N 2 2 377.273 3.870 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000854222757 879640623 /nfs/dbraw/zinc/64/06/23/879640623.db2.gz LPBZPRVUBOTJOY-PXTPFGJHSA-N 2 2 378.607 3.500 20 0 GHADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000069172024 879651808 /nfs/dbraw/zinc/65/18/08/879651808.db2.gz NOZPAYCTXXXWNX-FQEVSTJZSA-N 2 2 384.520 3.571 20 0 GHADLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000069172024 879651820 /nfs/dbraw/zinc/65/18/20/879651820.db2.gz NOZPAYCTXXXWNX-FQEVSTJZSA-N 2 2 384.520 3.571 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000181106351 879703071 /nfs/dbraw/zinc/70/30/71/879703071.db2.gz YKZZMUMXLXERAM-CCKFTAQKSA-N 2 2 394.346 3.922 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000181106351 879703076 /nfs/dbraw/zinc/70/30/76/879703076.db2.gz YKZZMUMXLXERAM-CCKFTAQKSA-N 2 2 394.346 3.922 20 0 GHADLP COc1cc(F)c([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1OC ZINC000538556478 879708069 /nfs/dbraw/zinc/70/80/69/879708069.db2.gz CMHKGSPJLONTEQ-HOCLYGCPSA-N 2 2 388.487 3.551 20 0 GHADLP CCCN(CC[NH+](CC)CC)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000461413353 879805952 /nfs/dbraw/zinc/80/59/52/879805952.db2.gz BJVHTIJITIVYBR-QGZVFWFLSA-N 2 2 395.617 3.961 20 0 GHADLP CCCN(CC[NH+](CC)CC)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000461413353 879805961 /nfs/dbraw/zinc/80/59/61/879805961.db2.gz BJVHTIJITIVYBR-QGZVFWFLSA-N 2 2 395.617 3.961 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000246952190 879861060 /nfs/dbraw/zinc/86/10/60/879861060.db2.gz IENNBZMIEFOIFS-PGRDOPGGSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000246952190 879861072 /nfs/dbraw/zinc/86/10/72/879861072.db2.gz IENNBZMIEFOIFS-PGRDOPGGSA-N 2 2 380.536 3.798 20 0 GHADLP C[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000247150394 879932097 /nfs/dbraw/zinc/93/20/97/879932097.db2.gz RMJUSDNPWNFIKY-PQNGQFLHSA-N 3 2 380.580 3.792 20 0 GHADLP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000247150394 879932110 /nfs/dbraw/zinc/93/21/10/879932110.db2.gz RMJUSDNPWNFIKY-PQNGQFLHSA-N 3 2 380.580 3.792 20 0 GHADLP C[C@H](CC[NH2+][C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000247150394 879932118 /nfs/dbraw/zinc/93/21/18/879932118.db2.gz RMJUSDNPWNFIKY-PQNGQFLHSA-N 3 2 380.580 3.792 20 0 GHADLP C[C@H](CC[NH2+][C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000247150394 879932126 /nfs/dbraw/zinc/93/21/26/879932126.db2.gz RMJUSDNPWNFIKY-PQNGQFLHSA-N 3 2 380.580 3.792 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453104744 880471123 /nfs/dbraw/zinc/47/11/23/880471123.db2.gz DESPOHCWZHKTPP-LEWJYISDSA-N 2 2 394.987 3.909 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Br)ccc3OC(F)F)CC[C@@H]21 ZINC000531988583 880841570 /nfs/dbraw/zinc/84/15/70/880841570.db2.gz CZTQRMQVNWBNIO-WFASDCNBSA-N 2 2 389.284 3.967 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Br)ccc3OC(F)F)CC[C@@H]21 ZINC000531988583 880841579 /nfs/dbraw/zinc/84/15/79/880841579.db2.gz CZTQRMQVNWBNIO-WFASDCNBSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Br)ccc3OC(F)F)CC[C@@H]21 ZINC000531988583 880841596 /nfs/dbraw/zinc/84/15/96/880841596.db2.gz CZTQRMQVNWBNIO-WFASDCNBSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Br)ccc3OC(F)F)CC[C@@H]21 ZINC000531988583 880841611 /nfs/dbraw/zinc/84/16/11/880841611.db2.gz CZTQRMQVNWBNIO-WFASDCNBSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cc(COC(C)(C)C)on3)CC2)cc1 ZINC000776866580 880912407 /nfs/dbraw/zinc/91/24/07/880912407.db2.gz OOENPLMKPZELLY-UHFFFAOYSA-N 2 2 386.540 3.814 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000792259106 881021678 /nfs/dbraw/zinc/02/16/78/881021678.db2.gz JJFPRZLYYPFMOY-MSOLQXFVSA-N 2 2 384.524 3.916 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000792259106 881021692 /nfs/dbraw/zinc/02/16/92/881021692.db2.gz JJFPRZLYYPFMOY-MSOLQXFVSA-N 2 2 384.524 3.916 20 0 GHADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000187367713 881167169 /nfs/dbraw/zinc/16/71/69/881167169.db2.gz MWZULIYRJBTUNG-GOSISDBHSA-N 2 2 376.504 3.945 20 0 GHADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000187367713 881167176 /nfs/dbraw/zinc/16/71/76/881167176.db2.gz MWZULIYRJBTUNG-GOSISDBHSA-N 2 2 376.504 3.945 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000537693956 883238680 /nfs/dbraw/zinc/23/86/80/883238680.db2.gz YZYDBIMUCJZBGZ-XUZZJYLKSA-N 2 2 378.564 3.997 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000537693956 883238690 /nfs/dbraw/zinc/23/86/90/883238690.db2.gz YZYDBIMUCJZBGZ-XUZZJYLKSA-N 2 2 378.564 3.997 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000537693956 883238703 /nfs/dbraw/zinc/23/87/03/883238703.db2.gz YZYDBIMUCJZBGZ-XUZZJYLKSA-N 2 2 378.564 3.997 20 0 GHADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000537693956 883238722 /nfs/dbraw/zinc/23/87/22/883238722.db2.gz YZYDBIMUCJZBGZ-XUZZJYLKSA-N 2 2 378.564 3.997 20 0 GHADLP CCC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000551386788 883780157 /nfs/dbraw/zinc/78/01/57/883780157.db2.gz DCSAIPQLADLBFG-MYDTUXCISA-N 2 2 386.580 3.803 20 0 GHADLP CCC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000551386788 883780165 /nfs/dbraw/zinc/78/01/65/883780165.db2.gz DCSAIPQLADLBFG-MYDTUXCISA-N 2 2 386.580 3.803 20 0 GHADLP CCC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000551386788 883780175 /nfs/dbraw/zinc/78/01/75/883780175.db2.gz DCSAIPQLADLBFG-MYDTUXCISA-N 2 2 386.580 3.803 20 0 GHADLP CCC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000551386788 883780183 /nfs/dbraw/zinc/78/01/83/883780183.db2.gz DCSAIPQLADLBFG-MYDTUXCISA-N 2 2 386.580 3.803 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCC(=O)N2 ZINC000551394651 883803339 /nfs/dbraw/zinc/80/33/39/883803339.db2.gz KWOUMZJDNHDKMT-GCJKJVERSA-N 2 2 393.531 3.513 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCC(=O)N2 ZINC000551394651 883803353 /nfs/dbraw/zinc/80/33/53/883803353.db2.gz KWOUMZJDNHDKMT-GCJKJVERSA-N 2 2 393.531 3.513 20 0 GHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000494997328 884349370 /nfs/dbraw/zinc/34/93/70/884349370.db2.gz NNUMVXJPODWVSS-CQSZACIVSA-N 2 2 381.307 3.555 20 0 GHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000494997328 884349421 /nfs/dbraw/zinc/34/94/21/884349421.db2.gz NNUMVXJPODWVSS-CQSZACIVSA-N 2 2 381.307 3.555 20 0 GHADLP C[C@H]1C[C@@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCN1C(=O)OC(C)(C)C ZINC001183864645 912884133 /nfs/dbraw/zinc/88/41/33/912884133.db2.gz MSFUVWZYCPTHCI-ROUUACIJSA-N 2 2 388.556 3.994 20 0 GHADLP C[NH+](C)C1CCC([NH2+]C[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001168299910 885231005 /nfs/dbraw/zinc/23/10/05/885231005.db2.gz PYWXCAGJMCNHIS-STEQJIOHSA-N 3 2 395.591 3.512 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2cccc(F)c2Cl)([NH+]2CCCCC2)CC1 ZINC000495347954 885339497 /nfs/dbraw/zinc/33/94/97/885339497.db2.gz KQRJMHLUFNCMNR-UHFFFAOYSA-N 2 2 382.911 3.551 20 0 GHADLP CC[N@H+](CCC1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1)CC1CC1 ZINC000498748449 885580450 /nfs/dbraw/zinc/58/04/50/885580450.db2.gz UTQFXDNDZXPVIW-DENIHFKCSA-N 2 2 398.595 3.515 20 0 GHADLP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1)CC1CC1 ZINC000498748449 885580464 /nfs/dbraw/zinc/58/04/64/885580464.db2.gz UTQFXDNDZXPVIW-DENIHFKCSA-N 2 2 398.595 3.515 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000550630193 885629326 /nfs/dbraw/zinc/62/93/26/885629326.db2.gz WYOGYDIFVKVMOV-HXUWFJFHSA-N 2 2 398.547 3.971 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000170774702 886029132 /nfs/dbraw/zinc/02/91/32/886029132.db2.gz ZQCGOZOXJVIISU-UHFFFAOYSA-N 2 2 388.515 3.857 20 0 GHADLP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000170774702 886029144 /nfs/dbraw/zinc/02/91/44/886029144.db2.gz ZQCGOZOXJVIISU-UHFFFAOYSA-N 2 2 388.515 3.857 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000287007298 913029037 /nfs/dbraw/zinc/02/90/37/913029037.db2.gz HLJJBJGIZNNJPO-HKUYNNGSSA-N 2 2 391.519 3.692 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000119203388 886476717 /nfs/dbraw/zinc/47/67/17/886476717.db2.gz GHRAALCDJHDCFC-OALUTQOASA-N 2 2 392.613 3.648 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000119203388 886476733 /nfs/dbraw/zinc/47/67/33/886476733.db2.gz GHRAALCDJHDCFC-OALUTQOASA-N 2 2 392.613 3.648 20 0 GHADLP COc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000119326540 886592327 /nfs/dbraw/zinc/59/23/27/886592327.db2.gz AEYJALUHRAKCQW-UHFFFAOYSA-N 2 2 384.520 3.809 20 0 GHADLP COc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000119326540 886592338 /nfs/dbraw/zinc/59/23/38/886592338.db2.gz AEYJALUHRAKCQW-UHFFFAOYSA-N 2 2 384.520 3.809 20 0 GHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)ccc2c1 ZINC000429551605 886733092 /nfs/dbraw/zinc/73/30/92/886733092.db2.gz FSJGPRPKZQMNQB-PGRDOPGGSA-N 2 2 397.563 3.611 20 0 GHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CCC[C@@H]([NH+](C)C)CC3)ccc2c1 ZINC000429551605 886733100 /nfs/dbraw/zinc/73/31/00/886733100.db2.gz FSJGPRPKZQMNQB-PGRDOPGGSA-N 2 2 397.563 3.611 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000057609697 886767274 /nfs/dbraw/zinc/76/72/74/886767274.db2.gz FHSCCKTVLOGQFV-UHFFFAOYSA-N 2 2 398.551 3.890 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762734153 886771027 /nfs/dbraw/zinc/77/10/27/886771027.db2.gz OCNUKMMIOQBWHZ-JXFKEZNVSA-N 2 2 392.906 3.573 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762734153 886771037 /nfs/dbraw/zinc/77/10/37/886771037.db2.gz OCNUKMMIOQBWHZ-JXFKEZNVSA-N 2 2 392.906 3.573 20 0 GHADLP C[C@H](CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@@H]1CCC[NH2+]C1 ZINC000237599576 886966941 /nfs/dbraw/zinc/96/69/41/886966941.db2.gz ONFQPHDQRJBXJD-SJLPKXTDSA-N 2 2 398.576 3.666 20 0 GHADLP C[C@H](CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@@H]1CCC[NH2+]C1 ZINC000237599576 886966952 /nfs/dbraw/zinc/96/69/52/886966952.db2.gz ONFQPHDQRJBXJD-SJLPKXTDSA-N 2 2 398.576 3.666 20 0 GHADLP CCCN(CC1CCCCC1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000127504966 887070951 /nfs/dbraw/zinc/07/09/51/887070951.db2.gz NOPKXAUOHNOJMQ-UHFFFAOYSA-N 2 2 378.605 3.547 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@@H](c4ccccc4)CC3(C)C)CC2)CC1 ZINC000915500079 887117508 /nfs/dbraw/zinc/11/75/08/887117508.db2.gz AJZNIFGHIZUKFO-FQEVSTJZSA-N 2 2 398.595 3.523 20 0 GHADLP C[C@H]([NH2+][C@@H](c1nccn1C)c1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000128322719 887172680 /nfs/dbraw/zinc/17/26/80/887172680.db2.gz SIVVYOHCJTUDKM-HTAPYJJXSA-N 2 2 396.510 3.940 20 0 GHADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc3ccccn3c2Br)CC1 ZINC000809551438 887567141 /nfs/dbraw/zinc/56/71/41/887567141.db2.gz ZGUALDYPHJFLJP-UHFFFAOYSA-N 2 2 379.346 3.649 20 0 GHADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc3ccccn3c2Br)CC1 ZINC000809551438 887567149 /nfs/dbraw/zinc/56/71/49/887567149.db2.gz ZGUALDYPHJFLJP-UHFFFAOYSA-N 2 2 379.346 3.649 20 0 GHADLP COC(=O)COc1ccccc1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001184373899 913165201 /nfs/dbraw/zinc/16/52/01/913165201.db2.gz FQGGSMYAVRNLFF-KRWDZBQOSA-N 2 2 385.508 3.570 20 0 GHADLP COC(=O)COc1ccccc1C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001184373899 913165210 /nfs/dbraw/zinc/16/52/10/913165210.db2.gz FQGGSMYAVRNLFF-KRWDZBQOSA-N 2 2 385.508 3.570 20 0 GHADLP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3cccc(F)c3)CC2)c1 ZINC001168501630 887656458 /nfs/dbraw/zinc/65/64/58/887656458.db2.gz TZFRQVXWCOBFRK-KRWDZBQOSA-N 2 2 384.495 3.798 20 0 GHADLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCc1ccc(F)c(Cl)c1F ZINC001168503371 888008791 /nfs/dbraw/zinc/00/87/91/888008791.db2.gz LJLMXIMEDDUKQK-UHFFFAOYSA-N 2 2 381.858 3.504 20 0 GHADLP Cc1ccc(N2CCC(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)CC2)[nH+]c1 ZINC000194055214 888553099 /nfs/dbraw/zinc/55/30/99/888553099.db2.gz JLCMLRYJZFXLAW-QFIPXVFZSA-N 2 2 392.547 3.560 20 0 GHADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168509011 888836867 /nfs/dbraw/zinc/83/68/67/888836867.db2.gz KJZRKRTYEPGTCT-GJZGRUSLSA-N 2 2 381.483 3.638 20 0 GHADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168509011 888836886 /nfs/dbraw/zinc/83/68/86/888836886.db2.gz KJZRKRTYEPGTCT-GJZGRUSLSA-N 2 2 381.483 3.638 20 0 GHADLP CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1 ZINC000532783899 888937769 /nfs/dbraw/zinc/93/77/69/888937769.db2.gz DEHXOMPQXNKHGH-DEOSSOPVSA-N 2 2 392.547 3.504 20 0 GHADLP C[N@@H+]1CCC[C@H]1CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000124352193 889601570 /nfs/dbraw/zinc/60/15/70/889601570.db2.gz UKCCHPJRJCZEDL-SFHVURJKSA-N 2 2 385.581 3.830 20 0 GHADLP C[N@H+]1CCC[C@H]1CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000124352193 889601579 /nfs/dbraw/zinc/60/15/79/889601579.db2.gz UKCCHPJRJCZEDL-SFHVURJKSA-N 2 2 385.581 3.830 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2OC[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000287479673 913363461 /nfs/dbraw/zinc/36/34/61/913363461.db2.gz XAELBGYGHQHFSQ-KJXAQDMKSA-N 2 2 395.547 3.640 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2OC[C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000287479673 913363478 /nfs/dbraw/zinc/36/34/78/913363478.db2.gz XAELBGYGHQHFSQ-KJXAQDMKSA-N 2 2 395.547 3.640 20 0 GHADLP CN(C(=O)c1cc(Cl)ccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124807586 889771112 /nfs/dbraw/zinc/77/11/12/889771112.db2.gz PUDSRAFSZZEFLW-UXHICEINSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1cc(Cl)ccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124807586 889771118 /nfs/dbraw/zinc/77/11/18/889771118.db2.gz PUDSRAFSZZEFLW-UXHICEINSA-N 2 2 395.950 3.888 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000124854610 889792354 /nfs/dbraw/zinc/79/23/54/889792354.db2.gz PYIBYLGPJVAXKQ-SFTDATJTSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000124854610 889792367 /nfs/dbraw/zinc/79/23/67/889792367.db2.gz PYIBYLGPJVAXKQ-SFTDATJTSA-N 2 2 375.532 3.543 20 0 GHADLP CC(C)C[C@H](C)OCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124886187 889804237 /nfs/dbraw/zinc/80/42/37/889804237.db2.gz KLHPKLGHWODQEK-ILWGZMRPSA-N 2 2 395.632 3.623 20 0 GHADLP CC(C)C[C@H](C)OCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124886187 889804243 /nfs/dbraw/zinc/80/42/43/889804243.db2.gz KLHPKLGHWODQEK-ILWGZMRPSA-N 2 2 395.632 3.623 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000533119601 889817266 /nfs/dbraw/zinc/81/72/66/889817266.db2.gz BFODLIAZFHXRCQ-QUCCMNQESA-N 2 2 395.551 3.599 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000533119601 889817271 /nfs/dbraw/zinc/81/72/71/889817271.db2.gz BFODLIAZFHXRCQ-QUCCMNQESA-N 2 2 395.551 3.599 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000533119601 889817279 /nfs/dbraw/zinc/81/72/79/889817279.db2.gz BFODLIAZFHXRCQ-QUCCMNQESA-N 2 2 395.551 3.599 20 0 GHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000533119601 889817289 /nfs/dbraw/zinc/81/72/89/889817289.db2.gz BFODLIAZFHXRCQ-QUCCMNQESA-N 2 2 395.551 3.599 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccccc2OCc2ccncc2)cn1 ZINC000916838425 890276577 /nfs/dbraw/zinc/27/65/77/890276577.db2.gz BOAZOQWDUKTYAD-UHFFFAOYSA-N 2 2 385.471 3.840 20 0 GHADLP CC(C)[NH+](CCN(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C(C)C ZINC000455105290 890317834 /nfs/dbraw/zinc/31/78/34/890317834.db2.gz IHRYITLEBKPKRO-UHFFFAOYSA-N 2 2 391.947 3.786 20 0 GHADLP Cc1cc(-n2ccc(NC(=O)c3ccc([C@@H](C)[NH3+])cc3)c3ccnc2-3)nc(C)[nH+]1 ZINC001170663766 890344090 /nfs/dbraw/zinc/34/40/90/890344090.db2.gz IWOFMTCTYYHLDH-CQSZACIVSA-N 2 2 386.459 3.656 20 0 GHADLP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCOc4ccc(F)cc43)cc2)CC1 ZINC000126666288 890640543 /nfs/dbraw/zinc/64/05/43/890640543.db2.gz HDIXGNABRMZIHT-JOCHJYFZSA-N 2 2 383.511 3.577 20 0 GHADLP CC[N@H+](Cc1nnc(C(C)C)o1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531884 890771210 /nfs/dbraw/zinc/77/12/10/890771210.db2.gz GGVBLHXOZYFYBM-UHFFFAOYSA-N 2 2 386.544 3.906 20 0 GHADLP CC[N@@H+](Cc1nnc(C(C)C)o1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531884 890771225 /nfs/dbraw/zinc/77/12/25/890771225.db2.gz GGVBLHXOZYFYBM-UHFFFAOYSA-N 2 2 386.544 3.906 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)c(C)c1 ZINC000533534720 890827290 /nfs/dbraw/zinc/82/72/90/890827290.db2.gz SSJARZZNRYZTKM-RTWAWAEBSA-N 2 2 392.478 3.775 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170684857 890899404 /nfs/dbraw/zinc/89/94/04/890899404.db2.gz GBJBHSSJLXNHTL-WTIAFYNJSA-N 2 2 386.486 3.701 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170684857 890899409 /nfs/dbraw/zinc/89/94/09/890899409.db2.gz GBJBHSSJLXNHTL-WTIAFYNJSA-N 2 2 386.486 3.701 20 0 GHADLP Cc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000812834665 891016997 /nfs/dbraw/zinc/01/69/97/891016997.db2.gz DOINXRVXCMVVCF-HSZRJFAPSA-N 2 2 395.522 3.536 20 0 GHADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C(=O)c2sc3ccccc3c2C)CC1 ZINC000127373130 891027416 /nfs/dbraw/zinc/02/74/16/891027416.db2.gz OVLRGTGEOITULR-UHFFFAOYSA-N 2 2 382.533 3.563 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000246588785 891290417 /nfs/dbraw/zinc/29/04/17/891290417.db2.gz ZEFCGUCAHJCYED-UEVCKROQSA-N 2 2 381.564 3.684 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000246588785 891290431 /nfs/dbraw/zinc/29/04/31/891290431.db2.gz ZEFCGUCAHJCYED-UEVCKROQSA-N 2 2 381.564 3.684 20 0 GHADLP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ccc(N3CCCC3)o2)CC1 ZINC001137070655 891561828 /nfs/dbraw/zinc/56/18/28/891561828.db2.gz PZIALSJDIYGLPV-UHFFFAOYSA-N 2 2 376.589 3.510 20 0 GHADLP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc(OC)c1 ZINC000162013007 891938824 /nfs/dbraw/zinc/93/88/24/891938824.db2.gz FGMPZJPGKPRJRD-QFIPXVFZSA-N 2 2 384.520 3.647 20 0 GHADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000162017355 891977021 /nfs/dbraw/zinc/97/70/21/891977021.db2.gz SZOYKYAYWXZJTP-HXUWFJFHSA-N 2 2 384.545 3.724 20 0 GHADLP COc1cc(N2CCC([NH+](C)C)CC2)ccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001185043944 913620097 /nfs/dbraw/zinc/62/00/97/913620097.db2.gz RLIZDNNDXWSMRQ-UHFFFAOYSA-N 2 2 395.551 3.964 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)[C@H](C)C1 ZINC000162141648 892054589 /nfs/dbraw/zinc/05/45/89/892054589.db2.gz FJGVDKODFSILLQ-ZJSXRUAMSA-N 3 2 387.612 3.686 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)[C@H](C)C1 ZINC000162141648 892054608 /nfs/dbraw/zinc/05/46/08/892054608.db2.gz FJGVDKODFSILLQ-ZJSXRUAMSA-N 3 2 387.612 3.686 20 0 GHADLP OC1CC[NH+](CCC[NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000128599132 892188902 /nfs/dbraw/zinc/18/89/02/892188902.db2.gz OGOATBZFJWNLJT-UHFFFAOYSA-N 2 2 382.426 3.902 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000645064565 913650753 /nfs/dbraw/zinc/65/07/53/913650753.db2.gz LWDGXOOBZPUAFS-XXBNENTESA-N 2 2 395.522 3.868 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000645064565 913650761 /nfs/dbraw/zinc/65/07/61/913650761.db2.gz LWDGXOOBZPUAFS-XXBNENTESA-N 2 2 395.522 3.868 20 0 GHADLP C[C@@H](CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000508709213 892801290 /nfs/dbraw/zinc/80/12/90/892801290.db2.gz GQOPFFKNXBISKH-AWRGLXIESA-N 2 2 377.576 3.933 20 0 GHADLP C[C@@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000508709213 892801311 /nfs/dbraw/zinc/80/13/11/892801311.db2.gz GQOPFFKNXBISKH-AWRGLXIESA-N 2 2 377.576 3.933 20 0 GHADLP C[C@@H](CN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000508709213 892801327 /nfs/dbraw/zinc/80/13/27/892801327.db2.gz GQOPFFKNXBISKH-AWRGLXIESA-N 2 2 377.576 3.933 20 0 GHADLP C[C@@H](CN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000508709213 892801343 /nfs/dbraw/zinc/80/13/43/892801343.db2.gz GQOPFFKNXBISKH-AWRGLXIESA-N 2 2 377.576 3.933 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508721004 892973354 /nfs/dbraw/zinc/97/33/54/892973354.db2.gz OGQCKBYFYAERCM-BWKNWUBXSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721004 892973368 /nfs/dbraw/zinc/97/33/68/892973368.db2.gz OGQCKBYFYAERCM-BWKNWUBXSA-N 3 2 393.575 3.519 20 0 GHADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000778188203 893177046 /nfs/dbraw/zinc/17/70/46/893177046.db2.gz DOKMADJTRWHKIZ-OAHLLOKOSA-N 2 2 390.318 3.848 20 0 GHADLP CC(C)(C)OC(=O)NC(C)(C)c1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)on1 ZINC000876650313 893272777 /nfs/dbraw/zinc/27/27/77/893272777.db2.gz BDYMBUCSDUSLEC-UHFFFAOYSA-N 2 2 389.500 3.537 20 0 GHADLP Cc1nnc(CC[NH2+][C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)o1 ZINC000933906775 893291896 /nfs/dbraw/zinc/29/18/96/893291896.db2.gz HQTGBAXLODVHEN-GGAORHGYSA-N 2 2 376.504 3.568 20 0 GHADLP Cc1nnc(CC[NH2+][C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)o1 ZINC000933906775 893291906 /nfs/dbraw/zinc/29/19/06/893291906.db2.gz HQTGBAXLODVHEN-GGAORHGYSA-N 2 2 376.504 3.568 20 0 GHADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129490828 893496894 /nfs/dbraw/zinc/49/68/94/893496894.db2.gz RFCKRIAGLWQICB-AOIWGVFYSA-N 2 2 380.492 3.732 20 0 GHADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129490828 893496902 /nfs/dbraw/zinc/49/69/02/893496902.db2.gz RFCKRIAGLWQICB-AOIWGVFYSA-N 2 2 380.492 3.732 20 0 GHADLP Clc1cccc(N2CC[NH+](C3CC[NH+](CC[C@H]4CCCCO4)CC3)CC2)c1 ZINC000459501455 893639175 /nfs/dbraw/zinc/63/91/75/893639175.db2.gz FCMPXQCUWCJNMA-JOCHJYFZSA-N 2 2 391.987 3.886 20 0 GHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000536840869 893916263 /nfs/dbraw/zinc/91/62/63/893916263.db2.gz VFFHTSAGNMQRTB-IAQYHMDHSA-N 2 2 377.838 3.595 20 0 GHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000536840869 893916271 /nfs/dbraw/zinc/91/62/71/893916271.db2.gz VFFHTSAGNMQRTB-IAQYHMDHSA-N 2 2 377.838 3.595 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000459681906 894058793 /nfs/dbraw/zinc/05/87/93/894058793.db2.gz DRVHKHUUTJKFBR-ZWVMGRIOSA-N 2 2 386.561 3.964 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000459681906 894058811 /nfs/dbraw/zinc/05/88/11/894058811.db2.gz DRVHKHUUTJKFBR-ZWVMGRIOSA-N 2 2 386.561 3.964 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000537288680 894748516 /nfs/dbraw/zinc/74/85/16/894748516.db2.gz OEAVDLWOOZCGPS-AWEZNQCLSA-N 2 2 377.916 3.680 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000537288681 894748759 /nfs/dbraw/zinc/74/87/59/894748759.db2.gz OEAVDLWOOZCGPS-CQSZACIVSA-N 2 2 377.916 3.680 20 0 GHADLP C[C@@H](NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000888777060 895129409 /nfs/dbraw/zinc/12/94/09/895129409.db2.gz IOLSFLFPOGQBDO-IYWMVGAKSA-N 2 2 399.583 3.757 20 0 GHADLP C[C@@H](NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000888777060 895129416 /nfs/dbraw/zinc/12/94/16/895129416.db2.gz IOLSFLFPOGQBDO-IYWMVGAKSA-N 2 2 399.583 3.757 20 0 GHADLP Cc1c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)nnn1-c1ccccc1 ZINC000564828032 895268262 /nfs/dbraw/zinc/26/82/62/895268262.db2.gz NKSSKZGGCDBCAS-XWFZLUIHSA-N 2 2 393.510 3.759 20 0 GHADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)OCCc2ccccc21 ZINC000565448341 895633175 /nfs/dbraw/zinc/63/31/75/895633175.db2.gz APGMTOSRQAVIMX-JPYJTQIMSA-N 2 2 377.488 3.638 20 0 GHADLP CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568371 895751116 /nfs/dbraw/zinc/75/11/16/895751116.db2.gz XUXPNYXYXGAPAG-NRFANRHFSA-N 2 2 376.504 3.978 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)Cc3cn4cccc(C)c4[nH+]3)C2)s1 ZINC000565657542 895790120 /nfs/dbraw/zinc/79/01/20/895790120.db2.gz QKDOOYMPKQSSNB-GOSISDBHSA-N 2 2 396.560 3.536 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)Cc3cn4cccc(C)c4[nH+]3)C2)s1 ZINC000565657542 895790142 /nfs/dbraw/zinc/79/01/42/895790142.db2.gz QKDOOYMPKQSSNB-GOSISDBHSA-N 2 2 396.560 3.536 20 0 GHADLP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000565775281 895867372 /nfs/dbraw/zinc/86/73/72/895867372.db2.gz LQMIXPYMUWLXFB-LBPRGKRZSA-N 2 2 390.742 3.907 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001135997596 895878347 /nfs/dbraw/zinc/87/83/47/895878347.db2.gz PVUGIGLDDMYHPD-QFIPXVFZSA-N 2 2 376.504 3.614 20 0 GHADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)Sc1ccc(Br)cc1 ZINC000817897549 895952892 /nfs/dbraw/zinc/95/28/92/895952892.db2.gz RVLARPMLWLUSTO-ZFWWWQNUSA-N 2 2 387.387 3.676 20 0 GHADLP Cc1cc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)ccc1-n1cncn1 ZINC000565944081 896001615 /nfs/dbraw/zinc/00/16/15/896001615.db2.gz RZCFIEBSQIJWNO-UHFFFAOYSA-N 2 2 375.520 3.672 20 0 GHADLP Cc1cc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)ccc1-n1cncn1 ZINC000565944081 896001624 /nfs/dbraw/zinc/00/16/24/896001624.db2.gz RZCFIEBSQIJWNO-UHFFFAOYSA-N 2 2 375.520 3.672 20 0 GHADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ccc1F ZINC000826261915 896749884 /nfs/dbraw/zinc/74/98/84/896749884.db2.gz XYFPSUIVBXWDSQ-MRXNPFEDSA-N 2 2 394.498 3.629 20 0 GHADLP CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000566974848 896760546 /nfs/dbraw/zinc/76/05/46/896760546.db2.gz KWVQEYVXFFVWDA-RBBKRZOGSA-N 2 2 398.551 3.608 20 0 GHADLP Oc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc(C(F)(F)F)c1 ZINC000567602169 897284657 /nfs/dbraw/zinc/28/46/57/897284657.db2.gz ZFCNIHPFWOWEJE-UHFFFAOYSA-N 2 2 380.410 3.533 20 0 GHADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000567735705 897367859 /nfs/dbraw/zinc/36/78/59/897367859.db2.gz QLUIQNQCENXREU-XHSDSOJGSA-N 2 2 395.366 3.578 20 0 GHADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000567735705 897367867 /nfs/dbraw/zinc/36/78/67/897367867.db2.gz QLUIQNQCENXREU-XHSDSOJGSA-N 2 2 395.366 3.578 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc2c(c1)C[N@H+]([C@H]1CC[NH+]3CCC[C@@H]3C1)CCO2 ZINC000883279125 897436787 /nfs/dbraw/zinc/43/67/87/897436787.db2.gz JOXFKMHQZWOFPG-MOPGFXCFSA-N 2 2 387.524 3.855 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH+]3CCC[C@@H]3C1)CCO2 ZINC000883279125 897436793 /nfs/dbraw/zinc/43/67/93/897436793.db2.gz JOXFKMHQZWOFPG-MOPGFXCFSA-N 2 2 387.524 3.855 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc2c(c1)C[NH+]([C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC000883279125 897436801 /nfs/dbraw/zinc/43/68/01/897436801.db2.gz JOXFKMHQZWOFPG-MOPGFXCFSA-N 2 2 387.524 3.855 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc2c(c1)C[NH+]([C@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC000883279125 897436805 /nfs/dbraw/zinc/43/68/05/897436805.db2.gz JOXFKMHQZWOFPG-MOPGFXCFSA-N 2 2 387.524 3.855 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000568620373 897988954 /nfs/dbraw/zinc/98/89/54/897988954.db2.gz MDYKSPJAEDJGMS-DFBJGRDBSA-N 2 2 389.543 3.953 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000103303292 898082260 /nfs/dbraw/zinc/08/22/60/898082260.db2.gz KOGGBDUTZMXPLQ-IBGZPJMESA-N 2 2 395.551 3.804 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000103303292 898082270 /nfs/dbraw/zinc/08/22/70/898082270.db2.gz KOGGBDUTZMXPLQ-IBGZPJMESA-N 2 2 395.551 3.804 20 0 GHADLP C[C@H](CC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1)n1cc[nH+]c1 ZINC000568986901 898260052 /nfs/dbraw/zinc/26/00/52/898260052.db2.gz HLUOLVSFHDRLEK-FOIQADDNSA-N 2 2 390.478 3.844 20 0 GHADLP O=C(CC[NH+]1CCC(n2cc[nH+]c2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000109792573 898594589 /nfs/dbraw/zinc/59/45/89/898594589.db2.gz BMVSTCABPFJSSW-UHFFFAOYSA-N 2 2 388.515 3.816 20 0 GHADLP CC(C)[N@H+](C)Cc1cccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC001136699013 898955010 /nfs/dbraw/zinc/95/50/10/898955010.db2.gz GKHDBBSEFUNKGP-UHFFFAOYSA-N 2 2 390.531 3.631 20 0 GHADLP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC001136699013 898955019 /nfs/dbraw/zinc/95/50/19/898955019.db2.gz GKHDBBSEFUNKGP-UHFFFAOYSA-N 2 2 390.531 3.631 20 0 GHADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001136753139 899142953 /nfs/dbraw/zinc/14/29/53/899142953.db2.gz KILJLRAUSQQDMG-IEBWSBKVSA-N 2 2 395.950 3.682 20 0 GHADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001136753139 899142965 /nfs/dbraw/zinc/14/29/65/899142965.db2.gz KILJLRAUSQQDMG-IEBWSBKVSA-N 2 2 395.950 3.682 20 0 GHADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001136753139 899142974 /nfs/dbraw/zinc/14/29/74/899142974.db2.gz KILJLRAUSQQDMG-IEBWSBKVSA-N 2 2 395.950 3.682 20 0 GHADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001136753139 899142983 /nfs/dbraw/zinc/14/29/83/899142983.db2.gz KILJLRAUSQQDMG-IEBWSBKVSA-N 2 2 395.950 3.682 20 0 GHADLP COCCOCc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000289736179 914321347 /nfs/dbraw/zinc/32/13/47/914321347.db2.gz PEEQESUUPHPJRW-OAQYLSRUSA-N 2 2 383.536 3.762 20 0 GHADLP COCCOCc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000289736179 914321355 /nfs/dbraw/zinc/32/13/55/914321355.db2.gz PEEQESUUPHPJRW-OAQYLSRUSA-N 2 2 383.536 3.762 20 0 GHADLP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3ncnc4c3C[N@H+](C)CC4)[C@H](C)C2)CC[C@@H]1[NH3+] ZINC001171026238 899221289 /nfs/dbraw/zinc/22/12/89/899221289.db2.gz ABNLHVYSUMJAND-TWYNJABESA-N 2 2 385.600 3.835 20 0 GHADLP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3ncnc4c3C[N@@H+](C)CC4)[C@H](C)C2)CC[C@@H]1[NH3+] ZINC001171026238 899221295 /nfs/dbraw/zinc/22/12/95/899221295.db2.gz ABNLHVYSUMJAND-TWYNJABESA-N 2 2 385.600 3.835 20 0 GHADLP c1nc(CCc2ccccc2)sc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000823850361 899278965 /nfs/dbraw/zinc/27/89/65/899278965.db2.gz ADLNFPLQOAPNEH-HXUWFJFHSA-N 2 2 385.577 3.661 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000823851571 899279919 /nfs/dbraw/zinc/27/99/19/899279919.db2.gz PLMDOWCODZGRPD-OAQYLSRUSA-N 3 2 379.633 3.899 20 0 GHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000116643134 899289459 /nfs/dbraw/zinc/28/94/59/899289459.db2.gz LWCYRHQPVRUOGG-UHFFFAOYSA-N 2 2 393.487 3.579 20 0 GHADLP CN(C(=O)Nc1c(F)cccc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000119308160 899585291 /nfs/dbraw/zinc/58/52/91/899585291.db2.gz XWMOVGURODGIMS-OALUTQOASA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1c(F)cccc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000119308160 899585300 /nfs/dbraw/zinc/58/53/00/899585300.db2.gz XWMOVGURODGIMS-OALUTQOASA-N 2 2 394.510 3.766 20 0 GHADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000824477399 899621196 /nfs/dbraw/zinc/62/11/96/899621196.db2.gz RDOHQKBPUIKCJL-AWEZNQCLSA-N 2 2 390.915 3.871 20 0 GHADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333012657 899892295 /nfs/dbraw/zinc/89/22/95/899892295.db2.gz GDXSGBAKPIMJGI-WIRSXHRWSA-N 2 2 386.584 3.728 20 0 GHADLP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333025317 899901472 /nfs/dbraw/zinc/90/14/72/899901472.db2.gz KOBDUPBTBMUDJN-MOPGFXCFSA-N 2 2 394.563 3.973 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nc1C1CC1 ZINC000571841442 899983701 /nfs/dbraw/zinc/98/37/01/899983701.db2.gz HNMOJXDAJMTROZ-UHFFFAOYSA-N 2 2 393.531 3.542 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)N3CCCCCC3)C2)s1 ZINC000572763033 900271465 /nfs/dbraw/zinc/27/14/65/900271465.db2.gz BCVRDPYQHLBVDT-RTBURBONSA-N 2 2 377.598 3.601 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)N3CCCCCC3)C2)s1 ZINC000572763033 900271476 /nfs/dbraw/zinc/27/14/76/900271476.db2.gz BCVRDPYQHLBVDT-RTBURBONSA-N 2 2 377.598 3.601 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N3CCCCCC3)C2)s1 ZINC000572763033 900271488 /nfs/dbraw/zinc/27/14/88/900271488.db2.gz BCVRDPYQHLBVDT-RTBURBONSA-N 2 2 377.598 3.601 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N3CCCCCC3)C2)s1 ZINC000572763033 900271500 /nfs/dbraw/zinc/27/15/00/900271500.db2.gz BCVRDPYQHLBVDT-RTBURBONSA-N 2 2 377.598 3.601 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1OC(F)(F)F ZINC001143879474 900649702 /nfs/dbraw/zinc/64/97/02/900649702.db2.gz MGEOMZNVJICMBP-HNNXBMFYSA-N 2 2 382.382 3.951 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1OC(F)(F)F ZINC001143879474 900649705 /nfs/dbraw/zinc/64/97/05/900649705.db2.gz MGEOMZNVJICMBP-HNNXBMFYSA-N 2 2 382.382 3.951 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cc(=O)oc4cc(O)ccc34)C2)s1 ZINC000844325950 900730711 /nfs/dbraw/zinc/73/07/11/900730711.db2.gz FDBFXTUJBJLFNX-INIZCTEOSA-N 2 2 398.528 3.822 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cc(=O)oc4cc(O)ccc34)C2)s1 ZINC000844325950 900730724 /nfs/dbraw/zinc/73/07/24/900730724.db2.gz FDBFXTUJBJLFNX-INIZCTEOSA-N 2 2 398.528 3.822 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cc(=O)oc4cc(O)ccc34)C2)s1 ZINC000844325950 900730736 /nfs/dbraw/zinc/73/07/36/900730736.db2.gz FDBFXTUJBJLFNX-INIZCTEOSA-N 2 2 398.528 3.822 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1C ZINC000574716255 900977121 /nfs/dbraw/zinc/97/71/21/900977121.db2.gz WFIOXPAHGZBCAH-AZUAARDMSA-N 2 2 396.535 3.511 20 0 GHADLP c1cn(C2CC[NH+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC2)c[nH+]1 ZINC000092659266 901503273 /nfs/dbraw/zinc/50/32/73/901503273.db2.gz GWPHLEIROIQIOK-UHFFFAOYSA-N 2 2 384.487 3.968 20 0 GHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000093742002 901561735 /nfs/dbraw/zinc/56/17/35/901561735.db2.gz GZYJXWCZQURDEC-OAQYLSRUSA-N 2 2 383.536 3.833 20 0 GHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000093742002 901561751 /nfs/dbraw/zinc/56/17/51/901561751.db2.gz GZYJXWCZQURDEC-OAQYLSRUSA-N 2 2 383.536 3.833 20 0 GHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000093742002 901561764 /nfs/dbraw/zinc/56/17/64/901561764.db2.gz GZYJXWCZQURDEC-OAQYLSRUSA-N 2 2 383.536 3.833 20 0 GHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000093742002 901561777 /nfs/dbraw/zinc/56/17/77/901561777.db2.gz GZYJXWCZQURDEC-OAQYLSRUSA-N 2 2 383.536 3.833 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000576056624 901625400 /nfs/dbraw/zinc/62/54/00/901625400.db2.gz OZYYBAQJJGOACT-ISKFKSNPSA-N 2 2 399.579 3.557 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000576056624 901625418 /nfs/dbraw/zinc/62/54/18/901625418.db2.gz OZYYBAQJJGOACT-ISKFKSNPSA-N 2 2 399.579 3.557 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000576056624 901625438 /nfs/dbraw/zinc/62/54/38/901625438.db2.gz OZYYBAQJJGOACT-ISKFKSNPSA-N 2 2 399.579 3.557 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000576056624 901625446 /nfs/dbraw/zinc/62/54/46/901625446.db2.gz OZYYBAQJJGOACT-ISKFKSNPSA-N 2 2 399.579 3.557 20 0 GHADLP COc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc(OC)c1OCc1ccccc1 ZINC000576391386 901994729 /nfs/dbraw/zinc/99/47/29/901994729.db2.gz WIRUSPOFNQVSGM-SFHVURJKSA-N 2 2 393.487 3.653 20 0 GHADLP CCC[N@H+](C)[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccc(Cl)cc1 ZINC000576708917 902208016 /nfs/dbraw/zinc/20/80/16/902208016.db2.gz LWXXNPMJIBKEFT-HXUWFJFHSA-N 2 2 397.910 3.734 20 0 GHADLP CCC[N@@H+](C)[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccc(Cl)cc1 ZINC000576708917 902208030 /nfs/dbraw/zinc/20/80/30/902208030.db2.gz LWXXNPMJIBKEFT-HXUWFJFHSA-N 2 2 397.910 3.734 20 0 GHADLP CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576910657 902352179 /nfs/dbraw/zinc/35/21/79/902352179.db2.gz DZNJGFXQBNVIAG-GBESFXJTSA-N 2 2 390.572 3.538 20 0 GHADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576910657 902352195 /nfs/dbraw/zinc/35/21/95/902352195.db2.gz DZNJGFXQBNVIAG-GBESFXJTSA-N 2 2 390.572 3.538 20 0 GHADLP CCC[NH+](CC)C[C@H](C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576910657 902352210 /nfs/dbraw/zinc/35/22/10/902352210.db2.gz DZNJGFXQBNVIAG-GBESFXJTSA-N 2 2 390.572 3.538 20 0 GHADLP CCC[NH+](CC)C[C@H](C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576910657 902352222 /nfs/dbraw/zinc/35/22/22/902352222.db2.gz DZNJGFXQBNVIAG-GBESFXJTSA-N 2 2 390.572 3.538 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)s1 ZINC000846065755 902679993 /nfs/dbraw/zinc/67/99/93/902679993.db2.gz QNTXHRWZBPPBFT-NRFANRHFSA-N 2 2 389.565 3.594 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4scnc4c3)CC[C@@H]21 ZINC001144738812 902782866 /nfs/dbraw/zinc/78/28/66/902782866.db2.gz ZGFRGUMXHXNGLN-DYXWJJEUSA-N 2 2 395.576 3.866 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4scnc4c3)CC[C@@H]21 ZINC001144738812 902782872 /nfs/dbraw/zinc/78/28/72/902782872.db2.gz ZGFRGUMXHXNGLN-DYXWJJEUSA-N 2 2 395.576 3.866 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccc4scnc4c3)CC[C@@H]21 ZINC001144738812 902782880 /nfs/dbraw/zinc/78/28/80/902782880.db2.gz ZGFRGUMXHXNGLN-DYXWJJEUSA-N 2 2 395.576 3.866 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccc4scnc4c3)CC[C@@H]21 ZINC001144738812 902782891 /nfs/dbraw/zinc/78/28/91/902782891.db2.gz ZGFRGUMXHXNGLN-DYXWJJEUSA-N 2 2 395.576 3.866 20 0 GHADLP COc1ccc(Br)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000577561626 902888527 /nfs/dbraw/zinc/88/85/27/902888527.db2.gz XYOOSXYFWHTXJA-UHFFFAOYSA-N 2 2 386.293 3.992 20 0 GHADLP CC(C)c1ccoc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000577778093 903175744 /nfs/dbraw/zinc/17/57/44/903175744.db2.gz SFWJLZIVFFURNH-VQTJNVASSA-N 2 2 375.557 3.812 20 0 GHADLP CC(C)c1ccoc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000577778093 903175747 /nfs/dbraw/zinc/17/57/47/903175747.db2.gz SFWJLZIVFFURNH-VQTJNVASSA-N 2 2 375.557 3.812 20 0 GHADLP CC(C)(CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C[NH+]1CCCC1 ZINC000577809884 903226086 /nfs/dbraw/zinc/22/60/86/903226086.db2.gz BHYOEBNWCWTRAS-RTWAWAEBSA-N 2 2 395.551 3.533 20 0 GHADLP COc1cc(OC)c([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1Cl ZINC000133102727 903345143 /nfs/dbraw/zinc/34/51/43/903345143.db2.gz NGDKOPHCHSZWNL-LSDHHAIUSA-N 2 2 382.932 3.509 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1C1CC1 ZINC000577986591 903414956 /nfs/dbraw/zinc/41/49/56/903414956.db2.gz GHQYOHXDCHCGQP-YLJYHZDGSA-N 2 2 393.531 3.746 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1C1CC1 ZINC000577986591 903414961 /nfs/dbraw/zinc/41/49/61/903414961.db2.gz GHQYOHXDCHCGQP-YLJYHZDGSA-N 2 2 393.531 3.746 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]CCCn2cc[nH+]c2C)cs1)c1ccc(F)cc1 ZINC000264972566 903520985 /nfs/dbraw/zinc/52/09/85/903520985.db2.gz RETDPMTZCXCQRT-UHFFFAOYSA-N 2 2 387.484 3.652 20 0 GHADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(COc4ccc(Cl)cc4)n3)C[C@@H]21 ZINC000578193105 903603468 /nfs/dbraw/zinc/60/34/68/903603468.db2.gz NRSFGHZNDGZARU-DOPJRALCSA-N 2 2 377.941 3.935 20 0 GHADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(COc4ccc(Cl)cc4)n3)C[C@@H]21 ZINC000578193105 903603475 /nfs/dbraw/zinc/60/34/75/903603475.db2.gz NRSFGHZNDGZARU-DOPJRALCSA-N 2 2 377.941 3.935 20 0 GHADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000578246853 903649950 /nfs/dbraw/zinc/64/99/50/903649950.db2.gz DEHPRGBGLALAKN-UHFFFAOYSA-N 2 2 393.325 3.646 20 0 GHADLP C[N@H+](CCN1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1)Cc1ccccc1 ZINC000578579188 903977635 /nfs/dbraw/zinc/97/76/35/903977635.db2.gz MNYRGOVPTXOTCV-VMPITWQZSA-N 2 2 385.502 3.728 20 0 GHADLP C[N@@H+](CCN1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1)Cc1ccccc1 ZINC000578579188 903977639 /nfs/dbraw/zinc/97/76/39/903977639.db2.gz MNYRGOVPTXOTCV-VMPITWQZSA-N 2 2 385.502 3.728 20 0 GHADLP COc1ccc(Cl)c2c1C[C@@H]([NH+]1CCC([N@H+](C)C3CCOCC3)CC1)CC2 ZINC001171327107 904019029 /nfs/dbraw/zinc/01/90/29/904019029.db2.gz VCMUITXZPIJYMO-SFHVURJKSA-N 2 2 392.971 3.781 20 0 GHADLP COc1ccc(Cl)c2c1C[C@@H]([NH+]1CCC([N@@H+](C)C3CCOCC3)CC1)CC2 ZINC001171327107 904019043 /nfs/dbraw/zinc/01/90/43/904019043.db2.gz VCMUITXZPIJYMO-SFHVURJKSA-N 2 2 392.971 3.781 20 0 GHADLP Cc1c(Br)cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000578775349 904110963 /nfs/dbraw/zinc/11/09/63/904110963.db2.gz RZDCEFBTRZKLLJ-LBPRGKRZSA-N 2 2 399.130 3.821 20 0 GHADLP O=C(CC[NH2+]C1CCN(c2cccc[nH+]2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000579191930 904414699 /nfs/dbraw/zinc/41/46/99/904414699.db2.gz HBUKGHRCCCUESG-UHFFFAOYSA-N 2 2 392.425 3.688 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)C2)C1 ZINC001171534236 904759532 /nfs/dbraw/zinc/75/95/32/904759532.db2.gz FOIKAOYATFKIJR-JTSKRJEESA-N 2 2 396.497 3.784 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)C2)C1 ZINC001171534236 904759547 /nfs/dbraw/zinc/75/95/47/904759547.db2.gz FOIKAOYATFKIJR-JTSKRJEESA-N 2 2 396.497 3.784 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)C2)C1 ZINC001171534236 904759555 /nfs/dbraw/zinc/75/95/55/904759555.db2.gz FOIKAOYATFKIJR-JTSKRJEESA-N 2 2 396.497 3.784 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)C2)C1 ZINC001171534236 904759570 /nfs/dbraw/zinc/75/95/70/904759570.db2.gz FOIKAOYATFKIJR-JTSKRJEESA-N 2 2 396.497 3.784 20 0 GHADLP Oc1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4cc(F)c(F)c(F)c4C3)CC2)cc1 ZINC001171519524 904794656 /nfs/dbraw/zinc/79/46/56/904794656.db2.gz HIMBQCXZLSKLKQ-KRWDZBQOSA-N 2 2 390.449 3.921 20 0 GHADLP C[C@@H]1C[C@@H](N2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC001171767736 905005748 /nfs/dbraw/zinc/00/57/48/905005748.db2.gz PGQBTQMTMFJMPN-HMXCVIKNSA-N 2 2 377.523 3.845 20 0 GHADLP C[C@@H]1C[C@@H](N2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC001171767736 905005768 /nfs/dbraw/zinc/00/57/68/905005768.db2.gz PGQBTQMTMFJMPN-HMXCVIKNSA-N 2 2 377.523 3.845 20 0 GHADLP CC[N@H+](C[C@H](O)c1ccc(F)c(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108892 905043882 /nfs/dbraw/zinc/04/38/82/905043882.db2.gz LOGSBJNZCJJKKY-FQEVSTJZSA-N 2 2 375.463 3.632 20 0 GHADLP CC[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108892 905043901 /nfs/dbraw/zinc/04/39/01/905043901.db2.gz LOGSBJNZCJJKKY-FQEVSTJZSA-N 2 2 375.463 3.632 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+]([C@@H]1Cc3cccc(F)c3C1)C2 ZINC001171801951 905063166 /nfs/dbraw/zinc/06/31/66/905063166.db2.gz UMYNHEFUAYHJDG-HXUWFJFHSA-N 2 2 391.490 3.971 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+]([C@@H]1Cc3cccc(F)c3C1)C2 ZINC001171801951 905063186 /nfs/dbraw/zinc/06/31/86/905063186.db2.gz UMYNHEFUAYHJDG-HXUWFJFHSA-N 2 2 391.490 3.971 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+]([C@@H]1Cc3cccc(F)c3C1)C2 ZINC001171801951 905063203 /nfs/dbraw/zinc/06/32/03/905063203.db2.gz UMYNHEFUAYHJDG-HXUWFJFHSA-N 2 2 391.490 3.971 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+]([C@@H]1Cc3cccc(F)c3C1)C2 ZINC001171801951 905063224 /nfs/dbraw/zinc/06/32/24/905063224.db2.gz UMYNHEFUAYHJDG-HXUWFJFHSA-N 2 2 391.490 3.971 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)C[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171981058 905230759 /nfs/dbraw/zinc/23/07/59/905230759.db2.gz JZLUBYFVLKQNIA-HXUWFJFHSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)C[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171981058 905230773 /nfs/dbraw/zinc/23/07/73/905230773.db2.gz JZLUBYFVLKQNIA-HXUWFJFHSA-N 2 2 399.579 3.982 20 0 GHADLP Cn1cc[nH+]c1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172054376 905254539 /nfs/dbraw/zinc/25/45/39/905254539.db2.gz WUYOPTBDQQFIBI-KRWDZBQOSA-N 2 2 376.545 3.655 20 0 GHADLP O=C1Nc2ccccc2C[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172061697 905326009 /nfs/dbraw/zinc/32/60/09/905326009.db2.gz IYICIYVWWBHCOW-KGSLCBSSSA-N 2 2 375.516 3.725 20 0 GHADLP O=C1Nc2ccccc2C[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061697 905326025 /nfs/dbraw/zinc/32/60/25/905326025.db2.gz IYICIYVWWBHCOW-KGSLCBSSSA-N 2 2 375.516 3.725 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]Cc2cccc(OC4COC4)n2)C3)cc1 ZINC001172067918 905334587 /nfs/dbraw/zinc/33/45/87/905334587.db2.gz HYTUBIGNZDLEEU-DKUWSORSSA-N 2 2 393.531 3.535 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]Cc2cccc(OC4COC4)n2)C3)cc1 ZINC001172067918 905334600 /nfs/dbraw/zinc/33/46/00/905334600.db2.gz HYTUBIGNZDLEEU-DKUWSORSSA-N 2 2 393.531 3.535 20 0 GHADLP CC[C@H](C)OCC[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001172335615 905501779 /nfs/dbraw/zinc/50/17/79/905501779.db2.gz KEPGNVYUMYIKLU-WSTZPKSXSA-N 2 2 397.604 3.644 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]CC2C[NH+](C)C2)CCN1C(=O)OC(C)(C)C ZINC001172607054 905667360 /nfs/dbraw/zinc/66/73/60/905667360.db2.gz TVMADPFXPOJQNN-AZUAARDMSA-N 2 2 391.531 3.726 20 0 GHADLP CCCC[C@H]1C[C@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001172627797 905732727 /nfs/dbraw/zinc/73/27/27/905732727.db2.gz QPDLAWPGKBYRMX-UXHICEINSA-N 3 2 398.636 3.547 20 0 GHADLP CCCC[C@H]1C[C@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001172627797 905732738 /nfs/dbraw/zinc/73/27/38/905732738.db2.gz QPDLAWPGKBYRMX-UXHICEINSA-N 3 2 398.636 3.547 20 0 GHADLP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)CC1 ZINC001172777029 905817865 /nfs/dbraw/zinc/81/78/65/905817865.db2.gz HZDXDEVYQVWXME-XLIONFOSSA-N 2 2 376.516 3.810 20 0 GHADLP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172851235 905907195 /nfs/dbraw/zinc/90/71/95/905907195.db2.gz PPKRHRRYBDWHRB-JQHSSLGASA-N 2 2 390.934 3.598 20 0 GHADLP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172851235 905907201 /nfs/dbraw/zinc/90/72/01/905907201.db2.gz PPKRHRRYBDWHRB-JQHSSLGASA-N 2 2 390.934 3.598 20 0 GHADLP C[C@@H](Cc1c(F)cccc1Cl)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172851235 905907211 /nfs/dbraw/zinc/90/72/11/905907211.db2.gz PPKRHRRYBDWHRB-JQHSSLGASA-N 2 2 390.934 3.598 20 0 GHADLP C[C@@H](Cc1c(F)cccc1Cl)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172851235 905907216 /nfs/dbraw/zinc/90/72/16/905907216.db2.gz PPKRHRRYBDWHRB-JQHSSLGASA-N 2 2 390.934 3.598 20 0 GHADLP CO[C@H]1CCC[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)C1 ZINC001172926492 905994752 /nfs/dbraw/zinc/99/47/52/905994752.db2.gz BHMXPUKQGUTUEY-HJNYFJLDSA-N 2 2 392.503 3.675 20 0 GHADLP CC[N@@H+](Cc1cn(-c2ccc(F)cc2)nn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000628181928 905999298 /nfs/dbraw/zinc/99/92/98/905999298.db2.gz XHUWYJDDJQYSFF-UHFFFAOYSA-N 2 2 394.498 3.540 20 0 GHADLP CC[N@H+](Cc1cn(-c2ccc(F)cc2)nn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000628181928 905999305 /nfs/dbraw/zinc/99/93/05/905999305.db2.gz XHUWYJDDJQYSFF-UHFFFAOYSA-N 2 2 394.498 3.540 20 0 GHADLP C[C@@H]1CC[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CN1C(=O)OC(C)(C)C ZINC001173068758 906159989 /nfs/dbraw/zinc/15/99/89/906159989.db2.gz PKAPEZCLGKTDHK-MJGOQNOKSA-N 2 2 388.556 3.676 20 0 GHADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173663338 906600030 /nfs/dbraw/zinc/60/00/30/906600030.db2.gz CCDCJLVDUYLEPS-UHFFFAOYSA-N 2 2 387.465 3.715 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)C1 ZINC001173649268 906634602 /nfs/dbraw/zinc/63/46/02/906634602.db2.gz GLNVJJKMSBCHAH-YLJYHZDGSA-N 2 2 376.516 3.810 20 0 GHADLP O=C(c1ccc(F)c(Cl)c1)N1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC001173772654 906698743 /nfs/dbraw/zinc/69/87/43/906698743.db2.gz DLWCVPDZNKZASI-QGZVFWFLSA-N 2 2 393.934 3.690 20 0 GHADLP O=C(c1ccc(F)c(Cl)c1)N1CCC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC001173772654 906698747 /nfs/dbraw/zinc/69/87/47/906698747.db2.gz DLWCVPDZNKZASI-QGZVFWFLSA-N 2 2 393.934 3.690 20 0 GHADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC001173773811 906699925 /nfs/dbraw/zinc/69/99/25/906699925.db2.gz NWZIYFMQSJLCLJ-KRWDZBQOSA-N 2 2 395.950 3.794 20 0 GHADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC001173773811 906699931 /nfs/dbraw/zinc/69/99/31/906699931.db2.gz NWZIYFMQSJLCLJ-KRWDZBQOSA-N 2 2 395.950 3.794 20 0 GHADLP C[C@@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)Cn1cc[nH+]c1 ZINC000180218132 906717910 /nfs/dbraw/zinc/71/79/10/906717910.db2.gz XHJRVPAGRCEVAG-INIZCTEOSA-N 2 2 391.357 3.536 20 0 GHADLP CC[N@@H+](Cc1cccc(Br)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000779437656 907087168 /nfs/dbraw/zinc/08/71/68/907087168.db2.gz UEHFBPXSYQFWBR-UHFFFAOYSA-N 2 2 389.341 3.978 20 0 GHADLP CC[N@H+](Cc1cccc(Br)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000779437656 907087188 /nfs/dbraw/zinc/08/71/88/907087188.db2.gz UEHFBPXSYQFWBR-UHFFFAOYSA-N 2 2 389.341 3.978 20 0 GHADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000299354148 921300582 /nfs/dbraw/zinc/30/05/82/921300582.db2.gz PUZCZZSCGTUOJH-UHFFFAOYSA-N 2 2 386.499 3.535 20 0 GHADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000299354148 921300585 /nfs/dbraw/zinc/30/05/85/921300585.db2.gz PUZCZZSCGTUOJH-UHFFFAOYSA-N 2 2 386.499 3.535 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@@H+]3CC[C@H](c4nccs4)C3)CC2)cc1 ZINC001175733652 907709933 /nfs/dbraw/zinc/70/99/33/907709933.db2.gz PGJAWRDHFQKAKR-KRWDZBQOSA-N 2 2 390.984 3.798 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@H+]3CC[C@H](c4nccs4)C3)CC2)cc1 ZINC001175733652 907709941 /nfs/dbraw/zinc/70/99/41/907709941.db2.gz PGJAWRDHFQKAKR-KRWDZBQOSA-N 2 2 390.984 3.798 20 0 GHADLP Cc1ccc([C@@H](C)N(C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000299479628 921362827 /nfs/dbraw/zinc/36/28/27/921362827.db2.gz BPWZDMRRYGVWGK-LJQANCHMSA-N 2 2 386.584 3.564 20 0 GHADLP Cc1nc(Nc2cccc(C[NH+]3CCCC3)c2)cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001176194419 907969435 /nfs/dbraw/zinc/96/94/35/907969435.db2.gz FOLBUFLZDBAWGH-IRXDYDNUSA-N 2 2 381.524 3.738 20 0 GHADLP Cc1nc(N2C[C@H](C)O[C@@H](C)C2)cc(Nc2cccc(C[NH+]3CCCC3)c2)[nH+]1 ZINC001176194419 907969443 /nfs/dbraw/zinc/96/94/43/907969443.db2.gz FOLBUFLZDBAWGH-IRXDYDNUSA-N 2 2 381.524 3.738 20 0 GHADLP C[NH+](C)CCOc1ccc(Nc2ccc3[nH+]cc(Br)n3c2)cc1 ZINC001176223909 907994090 /nfs/dbraw/zinc/99/40/90/907994090.db2.gz PCLKYAVBXOZKLH-UHFFFAOYSA-N 2 2 375.270 3.781 20 0 GHADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000632943331 908160255 /nfs/dbraw/zinc/16/02/55/908160255.db2.gz FCUHUTMNVXLBAX-QGZVFWFLSA-N 2 2 379.508 3.502 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000193299889 908248134 /nfs/dbraw/zinc/24/81/34/908248134.db2.gz XVNNSVVBLWMBKF-UHFFFAOYSA-N 2 2 379.548 3.879 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cn(Cc3ccccc3)nn2)C1 ZINC001177262269 908505878 /nfs/dbraw/zinc/50/58/78/908505878.db2.gz RZWLZIFPFDJWCV-FQEVSTJZSA-N 2 2 389.547 3.848 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cn(Cc3ccccc3)nn2)C1 ZINC001177262269 908505881 /nfs/dbraw/zinc/50/58/81/908505881.db2.gz RZWLZIFPFDJWCV-FQEVSTJZSA-N 2 2 389.547 3.848 20 0 GHADLP COc1ccc(F)cc1C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001177708352 908724033 /nfs/dbraw/zinc/72/40/33/908724033.db2.gz ZQYDKZIXTYCPKV-UHFFFAOYSA-N 2 2 391.918 3.790 20 0 GHADLP CC[NH+](CC)C[C@@H](C)NC1CC[NH+](Cc2ccccc2Br)CC1 ZINC001177733890 908732073 /nfs/dbraw/zinc/73/20/73/908732073.db2.gz WJDSYEFUGUCUKB-MRXNPFEDSA-N 2 2 382.390 3.733 20 0 GHADLP COc1cccc([C@@H]([NH3+])c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c1 ZINC000634553790 908763237 /nfs/dbraw/zinc/76/32/37/908763237.db2.gz HRPIDKHSLZEGDG-HXUWFJFHSA-N 2 2 378.476 3.779 20 0 GHADLP C[N@@H+]1Cc2c(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)cccc2[C@@H](c2ccccc2)C1 ZINC001178118258 908889813 /nfs/dbraw/zinc/88/98/13/908889813.db2.gz RKYDMPKYUYIDOS-UYAOXDASSA-N 2 2 386.499 3.662 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccsc1 ZINC000635279636 909201693 /nfs/dbraw/zinc/20/16/93/909201693.db2.gz PXQZZWBRCWVHQS-CABCVRRESA-N 2 2 388.459 3.637 20 0 GHADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000635595215 909299503 /nfs/dbraw/zinc/29/95/03/909299503.db2.gz MIDKRUIOVBUAMN-QGZVFWFLSA-N 2 2 380.414 3.506 20 0 GHADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000635747022 909337663 /nfs/dbraw/zinc/33/76/63/909337663.db2.gz OIEZZOPISIAXNI-HNAYVOBHSA-N 2 2 392.906 3.608 20 0 GHADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000635747022 909337679 /nfs/dbraw/zinc/33/76/79/909337679.db2.gz OIEZZOPISIAXNI-HNAYVOBHSA-N 2 2 392.906 3.608 20 0 GHADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001179816024 909748081 /nfs/dbraw/zinc/74/80/81/909748081.db2.gz JYICSNIHAPUQKV-DKSSEZFCSA-N 2 2 393.362 3.976 20 0 GHADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001179816024 909748093 /nfs/dbraw/zinc/74/80/93/909748093.db2.gz JYICSNIHAPUQKV-DKSSEZFCSA-N 2 2 393.362 3.976 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3sccc3C[NH+](C)C)n2)C1 ZINC000268117109 909773026 /nfs/dbraw/zinc/77/30/26/909773026.db2.gz SMIQKKMFMKIKJP-ZDUSSCGKSA-N 2 2 378.567 3.750 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3sccc3C[NH+](C)C)n2)C1 ZINC000268117109 909773033 /nfs/dbraw/zinc/77/30/33/909773033.db2.gz SMIQKKMFMKIKJP-ZDUSSCGKSA-N 2 2 378.567 3.750 20 0 GHADLP CN(C(=O)C(F)(F)c1ccccc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245712311 909849287 /nfs/dbraw/zinc/84/92/87/909849287.db2.gz NUAKPMYZWACCLW-VQTJNVASSA-N 2 2 393.522 3.574 20 0 GHADLP CN(C(=O)C(F)(F)c1ccccc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245712311 909849292 /nfs/dbraw/zinc/84/92/92/909849292.db2.gz NUAKPMYZWACCLW-VQTJNVASSA-N 2 2 393.522 3.574 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001179994035 909858595 /nfs/dbraw/zinc/85/85/95/909858595.db2.gz VAZMVNQREDTYNQ-INIZCTEOSA-N 2 2 391.357 3.717 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001179994035 909858605 /nfs/dbraw/zinc/85/86/05/909858605.db2.gz VAZMVNQREDTYNQ-INIZCTEOSA-N 2 2 391.357 3.717 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC001179994035 909858614 /nfs/dbraw/zinc/85/86/14/909858614.db2.gz VAZMVNQREDTYNQ-INIZCTEOSA-N 2 2 391.357 3.717 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC001179994035 909858627 /nfs/dbraw/zinc/85/86/27/909858627.db2.gz VAZMVNQREDTYNQ-INIZCTEOSA-N 2 2 391.357 3.717 20 0 GHADLP C[C@H]([NH2+][C@H](c1nccn1C)c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268791578 910019455 /nfs/dbraw/zinc/01/94/55/910019455.db2.gz YBLMSQXFTVQKMD-JTSKRJEESA-N 2 2 396.510 3.940 20 0 GHADLP Cc1cc(C[NH3+])oc1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000638295821 910107734 /nfs/dbraw/zinc/10/77/34/910107734.db2.gz WTDNPBGBCWFOFD-QZTJIDSGSA-N 2 2 393.890 3.793 20 0 GHADLP Cc1cc(C[NH3+])oc1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000638295821 910107739 /nfs/dbraw/zinc/10/77/39/910107739.db2.gz WTDNPBGBCWFOFD-QZTJIDSGSA-N 2 2 393.890 3.793 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cn4cc(Cl)ccc4n3)[nH+]c2)CC1 ZINC000269165763 910168522 /nfs/dbraw/zinc/16/85/22/910168522.db2.gz WUCBCENJBMMWQM-UHFFFAOYSA-N 2 2 384.915 3.525 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638747158 910224428 /nfs/dbraw/zinc/22/44/28/910224428.db2.gz BKBWYJSRHNOFGA-BELIEFIBSA-N 3 2 397.607 3.712 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638747158 910224445 /nfs/dbraw/zinc/22/44/45/910224445.db2.gz BKBWYJSRHNOFGA-BELIEFIBSA-N 3 2 397.607 3.712 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1)c1nnc2n1CCC2 ZINC000638908271 910273994 /nfs/dbraw/zinc/27/39/94/910273994.db2.gz ZTTVDPFNGYPSJY-MBSDFSHPSA-N 2 2 381.568 3.813 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)c1nnc2n1CCC2 ZINC000638908271 910273995 /nfs/dbraw/zinc/27/39/95/910273995.db2.gz ZTTVDPFNGYPSJY-MBSDFSHPSA-N 2 2 381.568 3.813 20 0 GHADLP CO[C@H](C[N@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)[C@H]1CCOC1 ZINC000639167906 910337433 /nfs/dbraw/zinc/33/74/33/910337433.db2.gz MLZQZOSIYRUMLF-OXJNMPFZSA-N 2 2 395.906 3.619 20 0 GHADLP CO[C@H](C[N@@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)[C@H]1CCOC1 ZINC000639167906 910337449 /nfs/dbraw/zinc/33/74/49/910337449.db2.gz MLZQZOSIYRUMLF-OXJNMPFZSA-N 2 2 395.906 3.619 20 0 GHADLP CC[N@H+](Cc1nc(CC2CC2)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000639533727 910492554 /nfs/dbraw/zinc/49/25/54/910492554.db2.gz SPXGADHSLHKIEO-UHFFFAOYSA-N 2 2 398.555 3.735 20 0 GHADLP CC[N@@H+](Cc1nc(CC2CC2)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000639533727 910492570 /nfs/dbraw/zinc/49/25/70/910492570.db2.gz SPXGADHSLHKIEO-UHFFFAOYSA-N 2 2 398.555 3.735 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000299683518 921580780 /nfs/dbraw/zinc/58/07/80/921580780.db2.gz NGCSFADYAQXHET-UHFFFAOYSA-N 2 2 383.477 3.684 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000299683518 921580792 /nfs/dbraw/zinc/58/07/92/921580792.db2.gz NGCSFADYAQXHET-UHFFFAOYSA-N 2 2 383.477 3.684 20 0 GHADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270340016 910527791 /nfs/dbraw/zinc/52/77/91/910527791.db2.gz NODNHDDUTYNWDL-GOSISDBHSA-N 2 2 393.535 3.701 20 0 GHADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270340016 910527808 /nfs/dbraw/zinc/52/78/08/910527808.db2.gz NODNHDDUTYNWDL-GOSISDBHSA-N 2 2 393.535 3.701 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cccc(N2CCOCC2)c1 ZINC000271436537 910905585 /nfs/dbraw/zinc/90/55/85/910905585.db2.gz BQYKRGAVORAKGP-WOJBJXKFSA-N 2 2 394.563 3.794 20 0 GHADLP COc1ccc([C@H]([NH2+]CCC[NH+](C)C)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000774112697 911399903 /nfs/dbraw/zinc/39/99/03/911399903.db2.gz SLKHVPLEQSVKHI-UXHICEINSA-N 2 2 391.556 3.677 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000291041699 914934732 /nfs/dbraw/zinc/93/47/32/914934732.db2.gz HGHMKIFQKHBZLA-SFTDATJTSA-N 2 2 395.551 3.601 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000291041699 914934745 /nfs/dbraw/zinc/93/47/45/914934745.db2.gz HGHMKIFQKHBZLA-SFTDATJTSA-N 2 2 395.551 3.601 20 0 GHADLP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000647490862 915303813 /nfs/dbraw/zinc/30/38/13/915303813.db2.gz WFDSUAHWDJPGEF-KRWDZBQOSA-N 2 2 375.310 3.809 20 0 GHADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000647490862 915303828 /nfs/dbraw/zinc/30/38/28/915303828.db2.gz WFDSUAHWDJPGEF-KRWDZBQOSA-N 2 2 375.310 3.809 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc(Cl)cc1Cl ZINC000647899416 915430460 /nfs/dbraw/zinc/43/04/60/915430460.db2.gz JQHQXVHYSBBZAW-SUNYJGFJSA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc(Cl)cc1Cl ZINC000647899416 915430470 /nfs/dbraw/zinc/43/04/70/915430470.db2.gz JQHQXVHYSBBZAW-SUNYJGFJSA-N 2 2 384.351 3.635 20 0 GHADLP CC[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000647940228 915443913 /nfs/dbraw/zinc/44/39/13/915443913.db2.gz PYTNTRMUHAIZBY-BSLALVQMSA-N 2 2 385.939 3.605 20 0 GHADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000647940228 915443919 /nfs/dbraw/zinc/44/39/19/915443919.db2.gz PYTNTRMUHAIZBY-BSLALVQMSA-N 2 2 385.939 3.605 20 0 GHADLP COc1ccc(C2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)nc1 ZINC000649650589 916295817 /nfs/dbraw/zinc/29/58/17/916295817.db2.gz DMFQLRUDQWNATP-HSZRJFAPSA-N 2 2 395.547 3.561 20 0 GHADLP COc1ccc(C2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)nc1 ZINC000649650589 916295826 /nfs/dbraw/zinc/29/58/26/916295826.db2.gz DMFQLRUDQWNATP-HSZRJFAPSA-N 2 2 395.547 3.561 20 0 GHADLP CCSc1ccc(Cl)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000361322133 916639830 /nfs/dbraw/zinc/63/98/30/916639830.db2.gz XEHKXFCGJHYRIJ-QGZVFWFLSA-N 2 2 396.000 3.693 20 0 GHADLP CCSc1ccc(Cl)cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000361322133 916639833 /nfs/dbraw/zinc/63/98/33/916639833.db2.gz XEHKXFCGJHYRIJ-QGZVFWFLSA-N 2 2 396.000 3.693 20 0 GHADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2c(F)ccc(Br)c2F)C1 ZINC000652363461 917884372 /nfs/dbraw/zinc/88/43/72/917884372.db2.gz FHWGNJOCINOJIG-XFBWCDHKSA-N 2 2 389.284 3.588 20 0 GHADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2c(F)ccc(Br)c2F)C1 ZINC000652363461 917884376 /nfs/dbraw/zinc/88/43/76/917884376.db2.gz FHWGNJOCINOJIG-XFBWCDHKSA-N 2 2 389.284 3.588 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000296275240 918078811 /nfs/dbraw/zinc/07/88/11/918078811.db2.gz CAOXJSNMLQSVLD-JJEOQYAHSA-N 2 2 381.520 3.902 20 0 GHADLP OC1CC[NH+](CCOc2cccc(-c3cc(F)cc(Cn4cc[nH+]c4)c3)c2)CC1 ZINC000653511884 918279305 /nfs/dbraw/zinc/27/93/05/918279305.db2.gz VQHMZDLBGATHHT-UHFFFAOYSA-N 2 2 395.478 3.573 20 0 GHADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000509459295 918298142 /nfs/dbraw/zinc/29/81/42/918298142.db2.gz KEVPUBCMTNNMHS-IBGZPJMESA-N 2 2 377.326 3.518 20 0 GHADLP Cc1cc2ccccc2c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000296699405 918596500 /nfs/dbraw/zinc/59/65/00/918596500.db2.gz ASVKEVMVIOCYIS-UHFFFAOYSA-N 2 2 380.536 3.828 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)C2 ZINC000364563066 919644537 /nfs/dbraw/zinc/64/45/37/919644537.db2.gz CSQLDQXKQSGMRK-KRWDZBQOSA-N 2 2 380.536 3.550 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)CC2 ZINC000364563066 919644541 /nfs/dbraw/zinc/64/45/41/919644541.db2.gz CSQLDQXKQSGMRK-KRWDZBQOSA-N 2 2 380.536 3.550 20 0 GHADLP [NH3+]C1CC[NH+](Cc2cc(-c3c(Cl)nc(Cl)n3-c3ccccc3)no2)CC1 ZINC000901403969 921081125 /nfs/dbraw/zinc/08/11/25/921081125.db2.gz BOATXMFIINQFFC-UHFFFAOYSA-N 2 2 392.290 3.757 20 0 GHADLP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367147782 921943616 /nfs/dbraw/zinc/94/36/16/921943616.db2.gz VCEZLVPCNIYBQK-SFHVURJKSA-N 2 2 399.583 3.515 20 0 GHADLP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)c2ccccc21 ZINC000367396756 922080709 /nfs/dbraw/zinc/08/07/09/922080709.db2.gz MVGKDBBNATZEDH-QHCPKHFHSA-N 2 2 377.532 3.781 20 0 GHADLP CCNc1ccccc1C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000902585985 922325699 /nfs/dbraw/zinc/32/56/99/922325699.db2.gz VYJNLSSRCBIUNG-UHFFFAOYSA-N 2 2 380.536 3.831 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902987028 922687208 /nfs/dbraw/zinc/68/72/08/922687208.db2.gz CMAXNUAHHXWXSU-NVXWUHKLSA-N 2 2 394.441 3.856 20 0 GHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cnn(CC2CCC2)c1 ZINC000903139232 922801088 /nfs/dbraw/zinc/80/10/88/922801088.db2.gz GAVVMTYJZUPABL-QGZVFWFLSA-N 2 2 382.556 3.782 20 0 GHADLP c1nnc([C@H]([NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc2)[nH]1 ZINC000903455222 923036362 /nfs/dbraw/zinc/03/63/62/923036362.db2.gz JTNNUOKDSZRUHR-GSPCLOLRSA-N 2 2 387.531 3.784 20 0 GHADLP c1nnc([C@H]([NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc2)[nH]1 ZINC000903455222 923036375 /nfs/dbraw/zinc/03/63/75/923036375.db2.gz JTNNUOKDSZRUHR-GSPCLOLRSA-N 2 2 387.531 3.784 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H](CC3CCCC3)c3ccccc3)C2)CC1 ZINC000676925533 924154606 /nfs/dbraw/zinc/15/46/06/924154606.db2.gz YVYXDPICMAJQKK-GMAHTHKFSA-N 2 2 398.595 3.776 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H](CC3CCCC3)c3ccccc3)C2)CC1 ZINC000676925533 924154609 /nfs/dbraw/zinc/15/46/09/924154609.db2.gz YVYXDPICMAJQKK-GMAHTHKFSA-N 2 2 398.595 3.776 20 0 GHADLP CN(C(=O)c1sccc1-c1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370841573 924323766 /nfs/dbraw/zinc/32/37/66/924323766.db2.gz NMKJCDDXLPPRBX-LJQANCHMSA-N 2 2 383.561 3.656 20 0 GHADLP CN(C(=O)c1sccc1-c1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370841573 924323769 /nfs/dbraw/zinc/32/37/69/924323769.db2.gz NMKJCDDXLPPRBX-LJQANCHMSA-N 2 2 383.561 3.656 20 0 GHADLP CC(C)Cc1ccc([C@H](C)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677767532 924488302 /nfs/dbraw/zinc/48/83/02/924488302.db2.gz YDXSALMQTOTZCZ-WMZHIEFXSA-N 2 2 385.596 3.616 20 0 GHADLP CC(C)Cc1ccc([C@H](C)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677767532 924488305 /nfs/dbraw/zinc/48/83/05/924488305.db2.gz YDXSALMQTOTZCZ-WMZHIEFXSA-N 2 2 385.596 3.616 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000677875133 924533173 /nfs/dbraw/zinc/53/31/73/924533173.db2.gz DNOPZNABHBWNRE-QUCCMNQESA-N 2 2 391.462 3.575 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000677875133 924533181 /nfs/dbraw/zinc/53/31/81/924533181.db2.gz DNOPZNABHBWNRE-QUCCMNQESA-N 2 2 391.462 3.575 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000409529200 924731977 /nfs/dbraw/zinc/73/19/77/924731977.db2.gz SNFSOVKMVPAESX-AZUAARDMSA-N 2 2 389.927 3.879 20 0 GHADLP Fc1ccc2[nH]cc(C[NH+]3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)c2c1 ZINC001137338282 924792246 /nfs/dbraw/zinc/79/22/46/924792246.db2.gz FMHQGAHRDBVEOR-UHFFFAOYSA-N 2 2 380.467 3.573 20 0 GHADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@H]3CCOc4ccccc43)CCCC2)no1 ZINC000678931303 924976782 /nfs/dbraw/zinc/97/67/82/924976782.db2.gz YZZSLQSZGCHJCF-QGZVFWFLSA-N 2 2 384.524 3.837 20 0 GHADLP CC[NH+](CC)CCCC1CCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000679873654 925292827 /nfs/dbraw/zinc/29/28/27/925292827.db2.gz ZYFCXQRAKRXVBP-UHFFFAOYSA-N 2 2 399.583 3.729 20 0 GHADLP CC(C)CC[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000681216848 925765305 /nfs/dbraw/zinc/76/53/05/925765305.db2.gz ADEKTATUCLKTHK-VQTJNVASSA-N 2 2 380.621 3.647 20 0 GHADLP CC(C)CC[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000681216848 925765307 /nfs/dbraw/zinc/76/53/07/925765307.db2.gz ADEKTATUCLKTHK-VQTJNVASSA-N 2 2 380.621 3.647 20 0 GHADLP CN(C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681999373 925978850 /nfs/dbraw/zinc/97/88/50/925978850.db2.gz YBTWXLRZXFTLRO-ZJOUEHCJSA-N 2 2 392.632 3.791 20 0 GHADLP CN(C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681999373 925978857 /nfs/dbraw/zinc/97/88/57/925978857.db2.gz YBTWXLRZXFTLRO-ZJOUEHCJSA-N 2 2 392.632 3.791 20 0 GHADLP O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411374088 926342217 /nfs/dbraw/zinc/34/22/17/926342217.db2.gz BOHYLAPRQQKIDI-IBGZPJMESA-N 2 2 384.549 3.732 20 0 GHADLP O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411374088 926342223 /nfs/dbraw/zinc/34/22/23/926342223.db2.gz BOHYLAPRQQKIDI-IBGZPJMESA-N 2 2 384.549 3.732 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CCCC[C@H]3C(C)(C)C)CC2)CC1 ZINC000726241356 926606506 /nfs/dbraw/zinc/60/65/06/926606506.db2.gz FLDQCDXHNTWUNR-GHTZIAJQSA-N 2 2 392.632 3.697 20 0 GHADLP C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(C[NH+](C)C)c(F)c3)cc2)C[C@H](C)O1 ZINC000749250020 927015160 /nfs/dbraw/zinc/01/51/60/927015160.db2.gz JMHJUABAJGLSAF-IRXDYDNUSA-N 2 2 399.510 3.749 20 0 GHADLP C[NH+](C)CCOC1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413143989 928255555 /nfs/dbraw/zinc/25/55/55/928255555.db2.gz SMSQVMLQTDPHBY-UHFFFAOYSA-N 2 2 378.314 3.544 20 0 GHADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3nc(C(F)(F)F)cs3)cn2)CC1 ZINC000467747975 929367633 /nfs/dbraw/zinc/36/76/33/929367633.db2.gz SWVQSWBEVHXWKT-ZDUSSCGKSA-N 2 2 399.486 3.550 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(c3cccc(OC)c3)CCCC2)CC1 ZINC000545912754 929666790 /nfs/dbraw/zinc/66/67/90/929666790.db2.gz VOYVYEYJEFFNHX-UHFFFAOYSA-N 2 2 388.552 3.514 20 0 GHADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000469518428 929960114 /nfs/dbraw/zinc/96/01/14/929960114.db2.gz DIKYUMXCLPKURE-LJQANCHMSA-N 2 2 397.485 3.833 20 0 GHADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000469518428 929960118 /nfs/dbraw/zinc/96/01/18/929960118.db2.gz DIKYUMXCLPKURE-LJQANCHMSA-N 2 2 397.485 3.833 20 0 GHADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000546307795 930042994 /nfs/dbraw/zinc/04/29/94/930042994.db2.gz JEBUTURLDBBUAA-HSZRJFAPSA-N 2 2 386.503 3.753 20 0 GHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000777497598 931244166 /nfs/dbraw/zinc/24/41/66/931244166.db2.gz XNRYMSIKPIUTJM-ROUUACIJSA-N 2 2 381.923 3.603 20 0 GHADLP CC(C)[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000777497598 931244176 /nfs/dbraw/zinc/24/41/76/931244176.db2.gz XNRYMSIKPIUTJM-ROUUACIJSA-N 2 2 381.923 3.603 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1cn(C)cn1 ZINC000924653018 931463870 /nfs/dbraw/zinc/46/38/70/931463870.db2.gz GHSIIDVEEQSKFI-FQEVSTJZSA-N 2 2 389.547 3.593 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2cn3c(n2)CCCC3)CC1 ZINC000924962330 931595890 /nfs/dbraw/zinc/59/58/90/931595890.db2.gz SFNPAHHPQKAPMB-MSOLQXFVSA-N 2 2 399.558 3.912 20 0 GHADLP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000557789612 931688810 /nfs/dbraw/zinc/68/88/10/931688810.db2.gz LGVHADSPIGOPFB-JOCHJYFZSA-N 2 2 380.536 3.706 20 0 GHADLP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000557789612 931688815 /nfs/dbraw/zinc/68/88/15/931688815.db2.gz LGVHADSPIGOPFB-JOCHJYFZSA-N 2 2 380.536 3.706 20 0 GHADLP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000925590679 931833443 /nfs/dbraw/zinc/83/34/43/931833443.db2.gz KDFDXUFYXMVGKR-QZMQVMSPSA-N 2 2 398.526 3.602 20 0 GHADLP FC(F)(F)Cc1noc(-c2cccc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)c2)n1 ZINC000925669595 931870889 /nfs/dbraw/zinc/87/08/89/931870889.db2.gz WDKNJUWDERCWMC-HNNXBMFYSA-N 2 2 380.414 3.606 20 0 GHADLP Brc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)c2cccnc2)cc1 ZINC000925814978 931911956 /nfs/dbraw/zinc/91/19/56/931911956.db2.gz RQYICEBWAJPZJP-HKUYNNGSSA-N 2 2 383.293 3.735 20 0 GHADLP C[C@H](CC[NH2+][C@H](C)c1cnccc1NC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000796935593 932114265 /nfs/dbraw/zinc/11/42/65/932114265.db2.gz HSYGVBVFZGKXEQ-IAGOWNOFSA-N 2 2 376.545 3.766 20 0 GHADLP C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000558736821 932203173 /nfs/dbraw/zinc/20/31/73/932203173.db2.gz VLGZSCRDFIYDOT-XXBNENTESA-N 2 2 391.559 3.855 20 0 GHADLP C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000558736821 932203175 /nfs/dbraw/zinc/20/31/75/932203175.db2.gz VLGZSCRDFIYDOT-XXBNENTESA-N 2 2 391.559 3.855 20 0 GHADLP Clc1ccc(OCC2CC2)c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000797465558 932293471 /nfs/dbraw/zinc/29/34/71/932293471.db2.gz AHJYOKCKQVVTPC-FQEVSTJZSA-N 2 2 378.944 3.862 20 0 GHADLP CC(=O)Nc1ccc([C@H](C)[NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)cc1 ZINC000926960432 932364287 /nfs/dbraw/zinc/36/42/87/932364287.db2.gz VQTNDPMVRQFWOR-IBGZPJMESA-N 2 2 395.547 3.977 20 0 GHADLP CC(=O)Nc1ccc([C@H](C)[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)cc1 ZINC000926960432 932364296 /nfs/dbraw/zinc/36/42/96/932364296.db2.gz VQTNDPMVRQFWOR-IBGZPJMESA-N 2 2 395.547 3.977 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)[nH+]c2)CC1 ZINC000559817660 932876409 /nfs/dbraw/zinc/87/64/09/932876409.db2.gz KZVKSMBMTKLQKX-NFBKMPQASA-N 3 2 393.579 3.859 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)[nH+]c2)CC1 ZINC000559817660 932876414 /nfs/dbraw/zinc/87/64/14/932876414.db2.gz KZVKSMBMTKLQKX-NFBKMPQASA-N 3 2 393.579 3.859 20 0 GHADLP CN1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCSc4c(F)cccc43)c2)CC1 ZINC001116289751 933460056 /nfs/dbraw/zinc/46/00/56/933460056.db2.gz VINOZWQCRIDHCP-NRFANRHFSA-N 2 2 385.552 3.900 20 0 GHADLP C[NH+]1CCN(Cc2cccc(C[NH2+][C@H](c3ccccc3)c3ccccn3)c2)CC1 ZINC001116505973 933598481 /nfs/dbraw/zinc/59/84/81/933598481.db2.gz XLKKOFFRXGNIRZ-RUZDIDTESA-N 2 2 386.543 3.708 20 0 GHADLP CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC001116743460 933732417 /nfs/dbraw/zinc/73/24/17/933732417.db2.gz NDJDMYXFAYYXFS-QGZVFWFLSA-N 2 2 382.346 3.714 20 0 GHADLP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC001116743460 933732424 /nfs/dbraw/zinc/73/24/24/933732424.db2.gz NDJDMYXFAYYXFS-QGZVFWFLSA-N 2 2 382.346 3.714 20 0 GHADLP Cc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(C)n1[C@H]1CCCOC1 ZINC001118891693 934276163 /nfs/dbraw/zinc/27/61/63/934276163.db2.gz ZKAPRBOLVKCBSQ-KRWDZBQOSA-N 2 2 379.464 3.598 20 0 GHADLP CCC1([NH+]2CCC2)CCN(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)CC1 ZINC001119447210 934352582 /nfs/dbraw/zinc/35/25/82/934352582.db2.gz IPSQBHOQQJOIJP-UHFFFAOYSA-N 2 2 381.524 3.783 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CCCCC1 ZINC000561938171 934573399 /nfs/dbraw/zinc/57/33/99/934573399.db2.gz IMEXFPPBBOBUIZ-INIZCTEOSA-N 2 2 378.586 3.872 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc(OC)c1OCC(F)F ZINC000561948048 934579543 /nfs/dbraw/zinc/57/95/43/934579543.db2.gz JCPLUEOJLZJXCH-INIZCTEOSA-N 2 2 398.494 3.656 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc(OC)c1OCC(F)F ZINC000561948048 934579547 /nfs/dbraw/zinc/57/95/47/934579547.db2.gz JCPLUEOJLZJXCH-INIZCTEOSA-N 2 2 398.494 3.656 20 0 GHADLP O=C1O[C@@H](C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CN1C1CCCCC1 ZINC000828461884 935637256 /nfs/dbraw/zinc/63/72/56/935637256.db2.gz HILHEEQNEWSUMC-PXNSSMCTSA-N 2 2 386.540 3.552 20 0 GHADLP O=C1O[C@@H](C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CN1C1CCCCC1 ZINC000828461884 935637261 /nfs/dbraw/zinc/63/72/61/935637261.db2.gz HILHEEQNEWSUMC-PXNSSMCTSA-N 2 2 386.540 3.552 20 0 GHADLP Cc1ccc(C[NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)c2ccccc12 ZINC001138016463 935929350 /nfs/dbraw/zinc/92/93/50/935929350.db2.gz IDUJWFDFHLECBD-UHFFFAOYSA-N 2 2 387.531 3.861 20 0 GHADLP Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001460976897 1069310732 /nfs/dbraw/zinc/31/07/32/1069310732.db2.gz VFWMPAQKOOAYFD-TZIWHRDSSA-N 2 2 396.579 3.873 20 0 GHADLP Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001460976897 1069310737 /nfs/dbraw/zinc/31/07/37/1069310737.db2.gz VFWMPAQKOOAYFD-TZIWHRDSSA-N 2 2 396.579 3.873 20 0 GHADLP CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001625788345 1014164830 /nfs/dbraw/zinc/16/48/30/1014164830.db2.gz VCTKQIGATOEXBQ-UHFFFAOYSA-N 2 2 397.567 3.723 20 0 GHADLP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC001461001843 1069329366 /nfs/dbraw/zinc/32/93/66/1069329366.db2.gz YVWZURMOYLRKHF-ZEQRLZLVSA-N 2 2 377.576 3.946 20 0 GHADLP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC001461001843 1069329381 /nfs/dbraw/zinc/32/93/81/1069329381.db2.gz YVWZURMOYLRKHF-ZEQRLZLVSA-N 2 2 377.576 3.946 20 0 GHADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000467975082 1015087426 /nfs/dbraw/zinc/08/74/26/1015087426.db2.gz NUZKPRDKXMMQCW-HSZRJFAPSA-N 2 2 377.532 3.928 20 0 GHADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000467975082 1015087435 /nfs/dbraw/zinc/08/74/35/1015087435.db2.gz NUZKPRDKXMMQCW-HSZRJFAPSA-N 2 2 377.532 3.928 20 0 GHADLP Cc1cccc(OC[C@H](O)C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C(C)C)c1 ZINC001204161425 1032613495 /nfs/dbraw/zinc/61/34/95/1032613495.db2.gz BQEJBJANMJMSMR-LJQANCHMSA-N 2 2 385.533 3.893 20 0 GHADLP Cc1cccc(OC[C@H](O)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C(C)C)c1 ZINC001204161425 1032613501 /nfs/dbraw/zinc/61/35/01/1032613501.db2.gz BQEJBJANMJMSMR-LJQANCHMSA-N 2 2 385.533 3.893 20 0 GHADLP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c2cccnc2)cc1 ZINC000925558492 1017104078 /nfs/dbraw/zinc/10/40/78/1017104078.db2.gz FQUGEBBWKZPMPG-SMIHKQSGSA-N 2 2 379.548 3.837 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC34CCOCC4)CC2)cc1 ZINC000562661428 1018501624 /nfs/dbraw/zinc/50/16/24/1018501624.db2.gz FDGKMTCSDYBFJC-QFIPXVFZSA-N 2 2 385.552 3.548 20 0 GHADLP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cc(Br)ccc1O ZINC000155578267 1019505152 /nfs/dbraw/zinc/50/51/52/1019505152.db2.gz DNIORQSYSXYMHT-KRWDZBQOSA-N 2 2 385.346 3.696 20 0 GHADLP C[C@@H]1C[C@@H](CC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000574235188 1019857088 /nfs/dbraw/zinc/85/70/88/1019857088.db2.gz BRAVWLZMQPEWIP-UZKOGDIHSA-N 2 2 375.520 3.784 20 0 GHADLP C[C@@H]1C[C@@H](CC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000574235188 1019857095 /nfs/dbraw/zinc/85/70/95/1019857095.db2.gz BRAVWLZMQPEWIP-UZKOGDIHSA-N 2 2 375.520 3.784 20 0 GHADLP FC(F)(F)c1ccc(-n2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000576147762 1019984246 /nfs/dbraw/zinc/98/42/46/1019984246.db2.gz LINLJQNCDAYPOI-MRXNPFEDSA-N 2 2 378.442 3.809 20 0 GHADLP FC(F)(F)c1ccc(-n2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000576147762 1019984249 /nfs/dbraw/zinc/98/42/49/1019984249.db2.gz LINLJQNCDAYPOI-MRXNPFEDSA-N 2 2 378.442 3.809 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000576594044 1020040619 /nfs/dbraw/zinc/04/06/19/1020040619.db2.gz BOQONRHYZOESEP-TZIWHRDSSA-N 2 2 394.563 3.871 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000576594044 1020040632 /nfs/dbraw/zinc/04/06/32/1020040632.db2.gz BOQONRHYZOESEP-TZIWHRDSSA-N 2 2 394.563 3.871 20 0 GHADLP COCc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000191840532 1020821098 /nfs/dbraw/zinc/82/10/98/1020821098.db2.gz UZAFACPPDNDHPY-AUSIDOKSSA-N 2 2 398.547 3.783 20 0 GHADLP COCc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000191840532 1020821106 /nfs/dbraw/zinc/82/11/06/1020821106.db2.gz UZAFACPPDNDHPY-AUSIDOKSSA-N 2 2 398.547 3.783 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4cc(N5CCCCC5)[nH+]cn4)[C@@H]3C2)cc1 ZINC001156319092 1032983330 /nfs/dbraw/zinc/98/33/30/1032983330.db2.gz VBCYBFWWWHFCIP-PWRODBHTSA-N 2 2 377.536 3.789 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4cc(N5CCCCC5)[nH+]cn4)[C@@H]3C2)cc1 ZINC001156319092 1032983333 /nfs/dbraw/zinc/98/33/33/1032983333.db2.gz VBCYBFWWWHFCIP-PWRODBHTSA-N 2 2 377.536 3.789 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4cc(N5CCCCC5)nc[nH+]4)[C@@H]3C2)cc1 ZINC001156319092 1032983337 /nfs/dbraw/zinc/98/33/37/1032983337.db2.gz VBCYBFWWWHFCIP-PWRODBHTSA-N 2 2 377.536 3.789 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4cc(N5CCCCC5)nc[nH+]4)[C@@H]3C2)cc1 ZINC001156319092 1032983346 /nfs/dbraw/zinc/98/33/46/1032983346.db2.gz VBCYBFWWWHFCIP-PWRODBHTSA-N 2 2 377.536 3.789 20 0 GHADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cn(C(=O)OC(C)(C)C)c4cc(OC)ccc34)C[C@@H]2C1 ZINC001140370885 1021511903 /nfs/dbraw/zinc/51/19/03/1021511903.db2.gz LSOBPZFMPSPMLM-CALCHBBNSA-N 2 2 399.535 3.817 20 0 GHADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cn(C(=O)OC(C)(C)C)c4cc(OC)ccc34)C[C@@H]2C1 ZINC001140370885 1021511914 /nfs/dbraw/zinc/51/19/14/1021511914.db2.gz LSOBPZFMPSPMLM-CALCHBBNSA-N 2 2 399.535 3.817 20 0 GHADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cn(C(=O)OC(C)(C)C)c4cc(OC)ccc34)C[C@@H]2C1 ZINC001140370885 1021511920 /nfs/dbraw/zinc/51/19/20/1021511920.db2.gz LSOBPZFMPSPMLM-CALCHBBNSA-N 2 2 399.535 3.817 20 0 GHADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cn(C(=O)OC(C)(C)C)c4cc(OC)ccc34)C[C@@H]2C1 ZINC001140370885 1021511926 /nfs/dbraw/zinc/51/19/26/1021511926.db2.gz LSOBPZFMPSPMLM-CALCHBBNSA-N 2 2 399.535 3.817 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C(F)(F)F)cn1 ZINC000902920099 1021550329 /nfs/dbraw/zinc/55/03/29/1021550329.db2.gz BNVRAMCWXBOYQO-BBRMVZONSA-N 2 2 379.430 3.809 20 0 GHADLP Fc1ccccc1-c1ncc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cn1 ZINC001140400881 1021567557 /nfs/dbraw/zinc/56/75/57/1021567557.db2.gz FDRIRWREMITZAE-QZTJIDSGSA-N 2 2 394.519 3.908 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(OC(F)(F)F)c(Cl)c1)CC2 ZINC001140560906 1021972933 /nfs/dbraw/zinc/97/29/33/1021972933.db2.gz GLFABMXYJDKFIQ-UHFFFAOYSA-N 2 2 391.821 3.869 20 0 GHADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001140561606 1021973653 /nfs/dbraw/zinc/97/36/53/1021973653.db2.gz MPEQDIZFBFMSFW-UHFFFAOYSA-N 2 2 396.837 3.555 20 0 GHADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001140561606 1021973656 /nfs/dbraw/zinc/97/36/56/1021973656.db2.gz MPEQDIZFBFMSFW-UHFFFAOYSA-N 2 2 396.837 3.555 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1csc2ccccc21)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000754732385 1022865499 /nfs/dbraw/zinc/86/54/99/1022865499.db2.gz CCRGBAMIOUEUSG-DLBZAZTESA-N 2 2 394.544 3.684 20 0 GHADLP Clc1cccc(Cl)c1C1CC[NH+](Cc2cnc3n2CC[NH2+]CC3)CC1 ZINC001204848680 1033119520 /nfs/dbraw/zinc/11/95/20/1033119520.db2.gz QYTORRKCFFMACE-UHFFFAOYSA-N 2 2 379.335 3.715 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@H+](Cn3[nH]c(-c4ccc(Cl)cc4)nc3=S)C2)CC1 ZINC000755781340 1023375296 /nfs/dbraw/zinc/37/52/96/1023375296.db2.gz UYWHGEHAYIMMBS-INIZCTEOSA-N 2 2 391.972 3.882 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3[nH]c(-c4ccc(Cl)cc4)nc3=S)C2)CC1 ZINC000755781340 1023375307 /nfs/dbraw/zinc/37/53/07/1023375307.db2.gz UYWHGEHAYIMMBS-INIZCTEOSA-N 2 2 391.972 3.882 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141048292 1023385074 /nfs/dbraw/zinc/38/50/74/1023385074.db2.gz IKJPRONJBWQROH-IBGZPJMESA-N 3 2 396.560 3.651 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141048292 1023385082 /nfs/dbraw/zinc/38/50/82/1023385082.db2.gz IKJPRONJBWQROH-IBGZPJMESA-N 3 2 396.560 3.651 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc4c3cnn4[C@@H]3CCCCO3)c2)C1 ZINC001204897241 1033153453 /nfs/dbraw/zinc/15/34/53/1033153453.db2.gz JAORDDJXTFDWFF-CVDCTZTESA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc4c3cnn4[C@@H]3CCCCO3)c2)C1 ZINC001204897241 1033153460 /nfs/dbraw/zinc/15/34/60/1033153460.db2.gz JAORDDJXTFDWFF-CVDCTZTESA-N 2 2 376.504 3.935 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1C ZINC001138139492 1024211443 /nfs/dbraw/zinc/21/14/43/1024211443.db2.gz CUFAYVGSJFVJCT-UHFFFAOYSA-N 2 2 395.547 3.831 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)c1C ZINC001138139492 1024211458 /nfs/dbraw/zinc/21/14/58/1024211458.db2.gz CUFAYVGSJFVJCT-UHFFFAOYSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001138373481 1024738716 /nfs/dbraw/zinc/73/87/16/1024738716.db2.gz AXZSVUORYHZKMM-BULFRSBZSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001138373481 1024738723 /nfs/dbraw/zinc/73/87/23/1024738723.db2.gz AXZSVUORYHZKMM-BULFRSBZSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)cc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001138373481 1024738737 /nfs/dbraw/zinc/73/87/37/1024738737.db2.gz AXZSVUORYHZKMM-BULFRSBZSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)cc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001138373481 1024738751 /nfs/dbraw/zinc/73/87/51/1024738751.db2.gz AXZSVUORYHZKMM-BULFRSBZSA-N 2 2 383.511 3.962 20 0 GHADLP CCOc1ccc2ccccc2c1C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001138445029 1024861967 /nfs/dbraw/zinc/86/19/67/1024861967.db2.gz RVLXKJFCMGNXMA-UHFFFAOYSA-N 2 2 377.488 3.964 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3cnc(C(F)(F)F)nc3)CC2)c2ccccc2[nH+]1 ZINC001141453369 1025096064 /nfs/dbraw/zinc/09/60/64/1025096064.db2.gz RNRUQKFRJTVHJX-UHFFFAOYSA-N 2 2 387.409 3.674 20 0 GHADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cnn(-c5ccc(F)cc5)c4)C[C@@H]3C2)cc1 ZINC001138647589 1025158082 /nfs/dbraw/zinc/15/80/82/1025158082.db2.gz DCQRKYRGCVVTOP-SZPZYZBQSA-N 2 2 390.506 3.884 20 0 GHADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cnn(-c5ccc(F)cc5)c4)C[C@@H]3C2)cc1 ZINC001138647589 1025158096 /nfs/dbraw/zinc/15/80/96/1025158096.db2.gz DCQRKYRGCVVTOP-SZPZYZBQSA-N 2 2 390.506 3.884 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cnn(-c5ccc(F)cc5)c4)C[C@@H]3C2)cc1 ZINC001138647589 1025158105 /nfs/dbraw/zinc/15/81/05/1025158105.db2.gz DCQRKYRGCVVTOP-SZPZYZBQSA-N 2 2 390.506 3.884 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cnn(-c5ccc(F)cc5)c4)C[C@@H]3C2)cc1 ZINC001138647589 1025158114 /nfs/dbraw/zinc/15/81/14/1025158114.db2.gz DCQRKYRGCVVTOP-SZPZYZBQSA-N 2 2 390.506 3.884 20 0 GHADLP CCc1cccc2cc(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)c(Cl)nc21 ZINC001138729355 1025259335 /nfs/dbraw/zinc/25/93/35/1025259335.db2.gz IMPWLFRTNRFGGW-UHFFFAOYSA-N 2 2 386.971 3.662 20 0 GHADLP c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001138767808 1025337288 /nfs/dbraw/zinc/33/72/88/1025337288.db2.gz QOWPXTYYSVKJAR-LOSJGSFVSA-N 2 2 386.543 3.885 20 0 GHADLP c1nn(Cc2ccccc2)cc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001138767808 1025337301 /nfs/dbraw/zinc/33/73/01/1025337301.db2.gz QOWPXTYYSVKJAR-LOSJGSFVSA-N 2 2 386.543 3.885 20 0 GHADLP c1nn(Cc2ccccc2)cc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001138767808 1025337313 /nfs/dbraw/zinc/33/73/13/1025337313.db2.gz QOWPXTYYSVKJAR-LOSJGSFVSA-N 2 2 386.543 3.885 20 0 GHADLP c1nn(Cc2ccccc2)cc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001138767808 1025337317 /nfs/dbraw/zinc/33/73/17/1025337317.db2.gz QOWPXTYYSVKJAR-LOSJGSFVSA-N 2 2 386.543 3.885 20 0 GHADLP C[NH+](C)CCOc1ccc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001138773174 1025343541 /nfs/dbraw/zinc/34/35/41/1025343541.db2.gz USEWUJGGASAZQP-UHFFFAOYSA-N 3 2 393.575 3.650 20 0 GHADLP C[NH+](C)CCOc1ccc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001138773174 1025343558 /nfs/dbraw/zinc/34/35/58/1025343558.db2.gz USEWUJGGASAZQP-UHFFFAOYSA-N 3 2 393.575 3.650 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC001138879459 1025514856 /nfs/dbraw/zinc/51/48/56/1025514856.db2.gz PQHRBOACYVTFKS-QFIPXVFZSA-N 2 2 386.515 3.539 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC001138879459 1025514866 /nfs/dbraw/zinc/51/48/66/1025514866.db2.gz PQHRBOACYVTFKS-QFIPXVFZSA-N 2 2 386.515 3.539 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC001138879459 1025514883 /nfs/dbraw/zinc/51/48/83/1025514883.db2.gz PQHRBOACYVTFKS-QFIPXVFZSA-N 2 2 386.515 3.539 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC001138879459 1025514896 /nfs/dbraw/zinc/51/48/96/1025514896.db2.gz PQHRBOACYVTFKS-QFIPXVFZSA-N 2 2 386.515 3.539 20 0 GHADLP COc1ccc(C[C@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC001139060281 1025851860 /nfs/dbraw/zinc/85/18/60/1025851860.db2.gz NYIUXEKYDDTHQJ-XMMPIXPASA-N 2 2 394.559 3.982 20 0 GHADLP COc1ccc(C[C@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC001139060281 1025851882 /nfs/dbraw/zinc/85/18/82/1025851882.db2.gz NYIUXEKYDDTHQJ-XMMPIXPASA-N 2 2 394.559 3.982 20 0 GHADLP c1sc2ccccc2c1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001461048027 1069359523 /nfs/dbraw/zinc/35/95/23/1069359523.db2.gz DFLLETBFTQHNMH-UHFFFAOYSA-N 2 2 382.529 3.902 20 0 GHADLP FC(F)(F)Oc1ccc(-c2cc[nH+]c(NCC[C@@H]3CCOC34C[NH2+]C4)c2)cc1 ZINC001163081342 1026035854 /nfs/dbraw/zinc/03/58/54/1026035854.db2.gz MZEBYBCVFPICMU-MRXNPFEDSA-N 2 2 393.409 3.828 20 0 GHADLP O=C1C[C@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CN1c1ccsc1 ZINC001139360509 1026233518 /nfs/dbraw/zinc/23/35/18/1026233518.db2.gz YFZWGALSUUAGTA-NRFANRHFSA-N 2 2 378.501 3.563 20 0 GHADLP O=C1C[C@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CN1c1ccsc1 ZINC001139360509 1026233530 /nfs/dbraw/zinc/23/35/30/1026233530.db2.gz YFZWGALSUUAGTA-NRFANRHFSA-N 2 2 378.501 3.563 20 0 GHADLP O=C1Nc2ccccc2CN1[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139363635 1026239862 /nfs/dbraw/zinc/23/98/62/1026239862.db2.gz INSLUDKKPMYLKI-NRFANRHFSA-N 2 2 387.487 3.884 20 0 GHADLP O=C1Nc2ccccc2CN1[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139363635 1026239876 /nfs/dbraw/zinc/23/98/76/1026239876.db2.gz INSLUDKKPMYLKI-NRFANRHFSA-N 2 2 387.487 3.884 20 0 GHADLP C[C@H]1CN(c2ccc(C[N@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)cn2)C[C@H](C)O1 ZINC001139390243 1026257779 /nfs/dbraw/zinc/25/77/79/1026257779.db2.gz OILDRXRVINHAHF-OALUTQOASA-N 2 2 391.519 3.513 20 0 GHADLP C[C@H]1CN(c2ccc(C[N@@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)cn2)C[C@H](C)O1 ZINC001139390243 1026257795 /nfs/dbraw/zinc/25/77/95/1026257795.db2.gz OILDRXRVINHAHF-OALUTQOASA-N 2 2 391.519 3.513 20 0 GHADLP COc1cc2cc[nH+]c(N3C[C@@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)c2cc1OC ZINC001165081691 1026592476 /nfs/dbraw/zinc/59/24/76/1026592476.db2.gz BBMHKXBYMHJUNR-PZJWPPBQSA-N 2 2 389.499 3.963 20 0 GHADLP COc1cc2cc[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)c2cc1OC ZINC001165081691 1026592479 /nfs/dbraw/zinc/59/24/79/1026592479.db2.gz BBMHKXBYMHJUNR-PZJWPPBQSA-N 2 2 389.499 3.963 20 0 GHADLP Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001139759924 1026596974 /nfs/dbraw/zinc/59/69/74/1026596974.db2.gz HLGXKXYTFOAXTG-QHCPKHFHSA-N 2 2 384.495 3.874 20 0 GHADLP Fc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001139759924 1026596986 /nfs/dbraw/zinc/59/69/86/1026596986.db2.gz HLGXKXYTFOAXTG-QHCPKHFHSA-N 2 2 384.495 3.874 20 0 GHADLP COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763122 1026601254 /nfs/dbraw/zinc/60/12/54/1026601254.db2.gz FVAYPPDZYCLZLP-QHCPKHFHSA-N 2 2 396.531 3.743 20 0 GHADLP COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763122 1026601262 /nfs/dbraw/zinc/60/12/62/1026601262.db2.gz FVAYPPDZYCLZLP-QHCPKHFHSA-N 2 2 396.531 3.743 20 0 GHADLP Cc1nccn1-c1ccccc1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001140022069 1026808009 /nfs/dbraw/zinc/80/80/09/1026808009.db2.gz YUJKQDBMRUGOJF-HSZRJFAPSA-N 2 2 382.552 3.504 20 0 GHADLP Cc1nccn1-c1ccccc1C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001140022069 1026808020 /nfs/dbraw/zinc/80/80/20/1026808020.db2.gz YUJKQDBMRUGOJF-HSZRJFAPSA-N 2 2 382.552 3.504 20 0 GHADLP Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001140022069 1026808026 /nfs/dbraw/zinc/80/80/26/1026808026.db2.gz YUJKQDBMRUGOJF-HSZRJFAPSA-N 2 2 382.552 3.504 20 0 GHADLP Cc1nccn1-c1ccccc1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001140022069 1026808035 /nfs/dbraw/zinc/80/80/35/1026808035.db2.gz YUJKQDBMRUGOJF-HSZRJFAPSA-N 2 2 382.552 3.504 20 0 GHADLP CCOC[C@@H]1COCCC12CC[NH+](Cc1ccccc1-n1cc[nH+]c1C)CC2 ZINC001140025897 1026813510 /nfs/dbraw/zinc/81/35/10/1026813510.db2.gz SLIIUXMJFLEDEK-OAQYLSRUSA-N 2 2 383.536 3.836 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001140025711 1026813947 /nfs/dbraw/zinc/81/39/47/1026813947.db2.gz SFIHUQHAXMIFSJ-PMACEKPBSA-N 2 2 393.560 3.734 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001140025711 1026813952 /nfs/dbraw/zinc/81/39/52/1026813952.db2.gz SFIHUQHAXMIFSJ-PMACEKPBSA-N 2 2 393.560 3.734 20 0 GHADLP COc1cccc(O[C@H]2CCC[N@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)n1 ZINC001140027757 1026816859 /nfs/dbraw/zinc/81/68/59/1026816859.db2.gz XZMRDTBKTPTBAP-IBGZPJMESA-N 2 2 378.476 3.628 20 0 GHADLP COc1cccc(O[C@H]2CCC[N@@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)n1 ZINC001140027757 1026816866 /nfs/dbraw/zinc/81/68/66/1026816866.db2.gz XZMRDTBKTPTBAP-IBGZPJMESA-N 2 2 378.476 3.628 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@](F)(CNC(=O)OC(C)(C)C)C1 ZINC001140027617 1026817108 /nfs/dbraw/zinc/81/71/08/1026817108.db2.gz SHXJPQBNRLLFCW-NRFANRHFSA-N 2 2 388.487 3.619 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@](F)(CNC(=O)OC(C)(C)C)C1 ZINC001140027617 1026817110 /nfs/dbraw/zinc/81/71/10/1026817110.db2.gz SHXJPQBNRLLFCW-NRFANRHFSA-N 2 2 388.487 3.619 20 0 GHADLP CC[NH+]1CCN(c2ccc(Nc3ccccc3C[NH+]3CCOCC3)cc2F)CC1 ZINC001209928917 1027279660 /nfs/dbraw/zinc/27/96/60/1027279660.db2.gz JAOQLOQLRLNQHO-UHFFFAOYSA-N 2 2 398.526 3.543 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)c(C)c1C ZINC001203716379 1027549490 /nfs/dbraw/zinc/54/94/90/1027549490.db2.gz HJTVJTBUWUJMHS-UHFFFAOYSA-N 2 2 382.552 3.676 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)c(C)c1C ZINC001203716379 1027549503 /nfs/dbraw/zinc/54/95/03/1027549503.db2.gz HJTVJTBUWUJMHS-UHFFFAOYSA-N 2 2 382.552 3.676 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4cc(C)ccc4C)CC[C@@H]3C2)cs1 ZINC001203747650 1027570881 /nfs/dbraw/zinc/57/08/81/1027570881.db2.gz YCRWRXAGHRMNNG-DENIHFKCSA-N 2 2 385.577 3.791 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4cc(C)ccc4C)CC[C@@H]3C2)cs1 ZINC001203747650 1027570894 /nfs/dbraw/zinc/57/08/94/1027570894.db2.gz YCRWRXAGHRMNNG-DENIHFKCSA-N 2 2 385.577 3.791 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4cc(C)ccc4C)CC[C@@H]3C2)cs1 ZINC001203747650 1027570906 /nfs/dbraw/zinc/57/09/06/1027570906.db2.gz YCRWRXAGHRMNNG-DENIHFKCSA-N 2 2 385.577 3.791 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4cc(C)ccc4C)CC[C@@H]3C2)cs1 ZINC001203747650 1027570911 /nfs/dbraw/zinc/57/09/11/1027570911.db2.gz YCRWRXAGHRMNNG-DENIHFKCSA-N 2 2 385.577 3.791 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(Cl)c(Cl)c4)C[C@H]3C2)cn1 ZINC001203802441 1027618939 /nfs/dbraw/zinc/61/89/39/1027618939.db2.gz FFDQVXYABDICKT-IAGOWNOFSA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(Cl)c(Cl)c4)C[C@H]3C2)cn1 ZINC001203802441 1027618948 /nfs/dbraw/zinc/61/89/48/1027618948.db2.gz FFDQVXYABDICKT-IAGOWNOFSA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(Cl)c(Cl)c4)C[C@H]3C2)cn1 ZINC001203802441 1027618956 /nfs/dbraw/zinc/61/89/56/1027618956.db2.gz FFDQVXYABDICKT-IAGOWNOFSA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(Cl)c(Cl)c4)C[C@H]3C2)cn1 ZINC001203802441 1027618968 /nfs/dbraw/zinc/61/89/68/1027618968.db2.gz FFDQVXYABDICKT-IAGOWNOFSA-N 2 2 379.335 3.681 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1OC(C)=O ZINC001203829704 1027638967 /nfs/dbraw/zinc/63/89/67/1027638967.db2.gz IBLJABQLXUSVLL-DEOSSOPVSA-N 2 2 394.515 3.719 20 0 GHADLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1OC(C)=O ZINC001203829704 1027638972 /nfs/dbraw/zinc/63/89/72/1027638972.db2.gz IBLJABQLXUSVLL-DEOSSOPVSA-N 2 2 394.515 3.719 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1OC(C)=O ZINC001203829704 1027638980 /nfs/dbraw/zinc/63/89/80/1027638980.db2.gz IBLJABQLXUSVLL-DEOSSOPVSA-N 2 2 394.515 3.719 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1OC(C)=O ZINC001203829704 1027638991 /nfs/dbraw/zinc/63/89/91/1027638991.db2.gz IBLJABQLXUSVLL-DEOSSOPVSA-N 2 2 394.515 3.719 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001203898056 1027690665 /nfs/dbraw/zinc/69/06/65/1027690665.db2.gz YKQGEXRUEATNCQ-REWPJTCUSA-N 2 2 391.559 3.999 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001203898056 1027690668 /nfs/dbraw/zinc/69/06/68/1027690668.db2.gz YKQGEXRUEATNCQ-REWPJTCUSA-N 2 2 391.559 3.999 20 0 GHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001142167273 1028282603 /nfs/dbraw/zinc/28/26/03/1028282603.db2.gz CRGHEVYBNDARCR-QFIPXVFZSA-N 2 2 376.589 3.578 20 0 GHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001142167273 1028282621 /nfs/dbraw/zinc/28/26/21/1028282621.db2.gz CRGHEVYBNDARCR-QFIPXVFZSA-N 2 2 376.589 3.578 20 0 GHADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001142167273 1028282638 /nfs/dbraw/zinc/28/26/38/1028282638.db2.gz CRGHEVYBNDARCR-QFIPXVFZSA-N 2 2 376.589 3.578 20 0 GHADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001142167273 1028282654 /nfs/dbraw/zinc/28/26/54/1028282654.db2.gz CRGHEVYBNDARCR-QFIPXVFZSA-N 2 2 376.589 3.578 20 0 GHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001142171951 1028295720 /nfs/dbraw/zinc/29/57/20/1028295720.db2.gz RAENFCLNDGENMM-UHFFFAOYSA-N 2 2 397.567 3.521 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]cc2-c2nc(-c3cccc(Cl)c3Cl)no2)CC1 ZINC001214672338 1028850646 /nfs/dbraw/zinc/85/06/46/1028850646.db2.gz WLTFRLIYFPLALF-UHFFFAOYSA-N 2 2 390.274 3.857 20 0 GHADLP Cn1cc2c(cccc2C[NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)n1 ZINC001142465016 1028971047 /nfs/dbraw/zinc/97/10/47/1028971047.db2.gz KJQXRLOVBYBKRO-UHFFFAOYSA-N 2 2 396.292 3.583 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3-n3cc[nH+]c3)C[C@@H]2C1 ZINC000842674350 1029478029 /nfs/dbraw/zinc/47/80/29/1029478029.db2.gz NCVGMJIDVAAXQI-ZCNNSNEGSA-N 2 2 396.535 3.998 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H](Cn3cc[nH+]c3)C(C)(C)C)C[C@@H]2C1 ZINC000842831107 1029616508 /nfs/dbraw/zinc/61/65/08/1029616508.db2.gz QZBYIFYYIFJULB-RDGPPVDQSA-N 2 2 390.572 3.923 20 0 GHADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143021227 1029787534 /nfs/dbraw/zinc/78/75/34/1029787534.db2.gz SHXGYWYHEXWNMB-UHFFFAOYSA-N 3 2 375.520 3.606 20 0 GHADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143021227 1029787540 /nfs/dbraw/zinc/78/75/40/1029787540.db2.gz SHXGYWYHEXWNMB-UHFFFAOYSA-N 3 2 375.520 3.606 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)CC1 ZINC001143244112 1029943843 /nfs/dbraw/zinc/94/38/43/1029943843.db2.gz ORDUMEOJXOLOLM-UHFFFAOYSA-N 2 2 380.479 3.864 20 0 GHADLP CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC001461604602 1069636156 /nfs/dbraw/zinc/63/61/56/1069636156.db2.gz HFKRBUAFTFNCOY-IAGOWNOFSA-N 2 2 397.357 3.963 20 0 GHADLP CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC001461604602 1069636162 /nfs/dbraw/zinc/63/61/62/1069636162.db2.gz HFKRBUAFTFNCOY-IAGOWNOFSA-N 2 2 397.357 3.963 20 0 GHADLP COc1cc(Br)c(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c(OC)c1 ZINC001222308055 1030063151 /nfs/dbraw/zinc/06/31/51/1030063151.db2.gz GMEKFEBBGOYZDH-SFHVURJKSA-N 2 2 383.330 3.574 20 0 GHADLP COc1cc(Br)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(OC)c1 ZINC001222308055 1030063170 /nfs/dbraw/zinc/06/31/70/1030063170.db2.gz GMEKFEBBGOYZDH-SFHVURJKSA-N 2 2 383.330 3.574 20 0 GHADLP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(C)cc1I ZINC001461635401 1069650904 /nfs/dbraw/zinc/65/09/04/1069650904.db2.gz XWEGENDLWCXDDT-OAHLLOKOSA-N 2 2 386.321 3.870 20 0 GHADLP Cc1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(C)cc1I ZINC001461635401 1069650906 /nfs/dbraw/zinc/65/09/06/1069650906.db2.gz XWEGENDLWCXDDT-OAHLLOKOSA-N 2 2 386.321 3.870 20 0 GHADLP Clc1ncc(C[N@@H+]2CCC[C@@H](OCc3ccc4c(c3)CC[NH2+]C4)C2)s1 ZINC001217913398 1030672151 /nfs/dbraw/zinc/67/21/51/1030672151.db2.gz UOSQBZFAHXIYHU-QGZVFWFLSA-N 2 2 377.941 3.623 20 0 GHADLP Clc1ncc(C[N@H+]2CCC[C@@H](OCc3ccc4c(c3)CC[NH2+]C4)C2)s1 ZINC001217913398 1030672156 /nfs/dbraw/zinc/67/21/56/1030672156.db2.gz UOSQBZFAHXIYHU-QGZVFWFLSA-N 2 2 377.941 3.623 20 0 GHADLP C[N@H+](CC(=O)c1cccc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c1)Cc1ccccc1 ZINC001218146415 1030796816 /nfs/dbraw/zinc/79/68/16/1030796816.db2.gz MAFXJGVJBDIGFP-JCTONOIOSA-N 2 2 378.516 3.768 20 0 GHADLP C[N@@H+](CC(=O)c1cccc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c1)Cc1ccccc1 ZINC001218146415 1030796829 /nfs/dbraw/zinc/79/68/29/1030796829.db2.gz MAFXJGVJBDIGFP-JCTONOIOSA-N 2 2 378.516 3.768 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cnn(-c2ccccc2)n1 ZINC001461726521 1069705341 /nfs/dbraw/zinc/70/53/41/1069705341.db2.gz DFRMWPDFLJIZKZ-UHFFFAOYSA-N 2 2 389.507 3.571 20 0 GHADLP CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)cc1 ZINC001151905361 1031045807 /nfs/dbraw/zinc/04/58/07/1031045807.db2.gz JGESDZQZVOOMQY-UHFFFAOYSA-N 2 2 376.504 3.590 20 0 GHADLP Cc1c(C(F)(F)F)cc(Cl)c(Cl)c1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218911351 1031148364 /nfs/dbraw/zinc/14/83/64/1031148364.db2.gz QOZMZEVXVJIYKD-UHFFFAOYSA-N 2 2 384.229 3.601 20 0 GHADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(-c3ccc(OCc4ccccc4)cc3)cc2)C1 ZINC001219161587 1031280014 /nfs/dbraw/zinc/28/00/14/1031280014.db2.gz MEKILZAXGQNDTI-REWPJTCUSA-N 2 2 387.483 3.560 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)NCc1ccc2c(c1)CC[NH2+]C2)c1ccccc1Cl ZINC001219705510 1031567013 /nfs/dbraw/zinc/56/70/13/1031567013.db2.gz LTEJJVQERNYIBR-NRFANRHFSA-N 2 2 385.939 3.685 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(Oc2ccccc2F)cc1 ZINC001220058750 1031759931 /nfs/dbraw/zinc/75/99/31/1031759931.db2.gz RVDWNACLRNCCNG-UHFFFAOYSA-N 2 2 388.487 3.623 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(Oc2ccccc2F)cc1 ZINC001220058750 1031759941 /nfs/dbraw/zinc/75/99/41/1031759941.db2.gz RVDWNACLRNCCNG-UHFFFAOYSA-N 2 2 388.487 3.623 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1Cl ZINC001220161306 1031808744 /nfs/dbraw/zinc/80/87/44/1031808744.db2.gz BNCQGCNNDZYHEO-NBHGPNQESA-N 2 2 377.960 3.761 20 0 GHADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Br)cc1N1CCCCC1 ZINC001205901603 1033627245 /nfs/dbraw/zinc/62/72/45/1033627245.db2.gz DQBQTUJTHTZCNG-HOTGVXAUSA-N 2 2 380.374 3.999 20 0 GHADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(Br)cc1N1CCCCC1 ZINC001205901603 1033627259 /nfs/dbraw/zinc/62/72/59/1033627259.db2.gz DQBQTUJTHTZCNG-HOTGVXAUSA-N 2 2 380.374 3.999 20 0 GHADLP CCC[N@H+]1C[C@H]2CN(c3[nH+]cnc4c3c(C)c(C)n4Cc3ccccc3)C[C@H]2C1 ZINC001157701042 1033730056 /nfs/dbraw/zinc/73/00/56/1033730056.db2.gz ZFLANWRJJNYVRN-OYRHEFFESA-N 2 2 389.547 3.874 20 0 GHADLP CCC[N@@H+]1C[C@H]2CN(c3[nH+]cnc4c3c(C)c(C)n4Cc3ccccc3)C[C@H]2C1 ZINC001157701042 1033730073 /nfs/dbraw/zinc/73/00/73/1033730073.db2.gz ZFLANWRJJNYVRN-OYRHEFFESA-N 2 2 389.547 3.874 20 0 GHADLP [NH3+]CCC1CC[NH+](Cc2c(Br)ccc(Br)c2F)CC1 ZINC001206506784 1033881459 /nfs/dbraw/zinc/88/14/59/1033881459.db2.gz PRIMOYKLQDVMGN-UHFFFAOYSA-N 2 2 394.126 3.912 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc4cnn([C@@H]5CCCCO5)c4c3)c2)C1 ZINC001206675938 1033939587 /nfs/dbraw/zinc/93/95/87/1033939587.db2.gz QHEUNDYYAPBQMQ-GGAORHGYSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc4cnn([C@@H]5CCCCO5)c4c3)c2)C1 ZINC001206675938 1033939596 /nfs/dbraw/zinc/93/95/96/1033939596.db2.gz QHEUNDYYAPBQMQ-GGAORHGYSA-N 2 2 376.504 3.935 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C[C@@H]1C(F)(F)F ZINC001206691967 1033947281 /nfs/dbraw/zinc/94/72/81/1033947281.db2.gz UPBJBMMBPLBEBB-OWLYRPNTSA-N 2 2 390.490 3.893 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C[C@@H]1C(F)(F)F ZINC001206691967 1033947287 /nfs/dbraw/zinc/94/72/87/1033947287.db2.gz UPBJBMMBPLBEBB-OWLYRPNTSA-N 2 2 390.490 3.893 20 0 GHADLP COCCO[C@H]1CCC2(CC[NH+](Cc3c[nH+]c(C)n3C)CC2)c2ccccc21 ZINC001206793364 1033985609 /nfs/dbraw/zinc/98/56/09/1033985609.db2.gz UXJGNVYTFPZSRF-QFIPXVFZSA-N 2 2 383.536 3.760 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3cnc(-c4ccccc4)c(-c4ccccc4)n3)CC2)C1 ZINC001158260422 1033991644 /nfs/dbraw/zinc/99/16/44/1033991644.db2.gz DROGWJVXHWQYRF-OAQYLSRUSA-N 2 2 399.542 3.812 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3cnc(-c4ccccc4)c(-c4ccccc4)n3)CC2)C1 ZINC001158260422 1033991649 /nfs/dbraw/zinc/99/16/49/1033991649.db2.gz DROGWJVXHWQYRF-OAQYLSRUSA-N 2 2 399.542 3.812 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@@H+]3C[C@H](C[NH3+])CC[C@@H]3C)c2n1 ZINC001206806730 1033992695 /nfs/dbraw/zinc/99/26/95/1033992695.db2.gz HFYDRVBQDRFUDU-STQMWFEESA-N 2 2 378.314 3.565 20 0 GHADLP COc1ccc2c(Br)ccc(C[N@H+]3C[C@H](C[NH3+])CC[C@@H]3C)c2n1 ZINC001206806730 1033992697 /nfs/dbraw/zinc/99/26/97/1033992697.db2.gz HFYDRVBQDRFUDU-STQMWFEESA-N 2 2 378.314 3.565 20 0 GHADLP Cc1cc(Cl)nc(C(F)(F)N(c2cc(C)[nH+]c(C)n2)C2CC[NH2+]CC2)c1 ZINC001158391927 1034059195 /nfs/dbraw/zinc/05/91/95/1034059195.db2.gz PAUZTSXVPNOFCF-UHFFFAOYSA-N 2 2 381.858 3.758 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001207223872 1034190155 /nfs/dbraw/zinc/19/01/55/1034190155.db2.gz BPXMQHTWZULXLJ-IBGZPJMESA-N 2 2 389.540 3.880 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001207223872 1034190163 /nfs/dbraw/zinc/19/01/63/1034190163.db2.gz BPXMQHTWZULXLJ-IBGZPJMESA-N 2 2 389.540 3.880 20 0 GHADLP CC(C)(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)[NH+]1CCOCC1 ZINC001207303681 1034254291 /nfs/dbraw/zinc/25/42/91/1034254291.db2.gz NKLVFDLFFPTHBS-UHFFFAOYSA-N 2 2 393.575 3.504 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](CCCc3cccc(C(F)(F)F)c3)CC2)c1 ZINC001207849315 1034620943 /nfs/dbraw/zinc/62/09/43/1034620943.db2.gz WNRWBYLADJVWOR-UHFFFAOYSA-N 2 2 379.426 3.864 20 0 GHADLP CC(=O)Nc1c(C)cc[nH+]c1N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001159562207 1034665736 /nfs/dbraw/zinc/66/57/36/1034665736.db2.gz QBQQTOVLXLHFLN-NSKBAKJYSA-N 2 2 378.520 3.981 20 0 GHADLP CC(C)(C[NH3+])c1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)cc1 ZINC001159582336 1034679329 /nfs/dbraw/zinc/67/93/29/1034679329.db2.gz VEVQSNQROWTSQU-UHFFFAOYSA-N 2 2 387.499 3.517 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](C[C@H]4CCC(C)=C[C@H]4C)CC[C@@H]3C2)cs1 ZINC001208176272 1034776474 /nfs/dbraw/zinc/77/64/74/1034776474.db2.gz QAYFNDIUMUFZKY-JWUVWSEFSA-N 2 2 389.609 3.967 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](C[C@H]4CCC(C)=C[C@H]4C)CC[C@@H]3C2)cs1 ZINC001208176272 1034776481 /nfs/dbraw/zinc/77/64/81/1034776481.db2.gz QAYFNDIUMUFZKY-JWUVWSEFSA-N 2 2 389.609 3.967 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](C[C@H]4CCC(C)=C[C@H]4C)CC[C@@H]3C2)cs1 ZINC001208176272 1034776493 /nfs/dbraw/zinc/77/64/93/1034776493.db2.gz QAYFNDIUMUFZKY-JWUVWSEFSA-N 2 2 389.609 3.967 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](C[C@H]4CCC(C)=C[C@H]4C)CC[C@@H]3C2)cs1 ZINC001208176272 1034776503 /nfs/dbraw/zinc/77/65/03/1034776503.db2.gz QAYFNDIUMUFZKY-JWUVWSEFSA-N 2 2 389.609 3.967 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC001231842322 1034936356 /nfs/dbraw/zinc/93/63/56/1034936356.db2.gz PHKHVYYYDOTCCT-KRWDZBQOSA-N 2 2 384.480 3.785 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC001231842322 1034936360 /nfs/dbraw/zinc/93/63/60/1034936360.db2.gz PHKHVYYYDOTCCT-KRWDZBQOSA-N 2 2 384.480 3.785 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(C(F)(F)F)c(F)c1F)CC2 ZINC001231856788 1034945438 /nfs/dbraw/zinc/94/54/38/1034945438.db2.gz YOWVYOHMXYNFFA-UHFFFAOYSA-N 2 2 377.357 3.614 20 0 GHADLP CC[NH+]1CCC(C[NH+]2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)CC1 ZINC001208596047 1034950337 /nfs/dbraw/zinc/95/03/37/1034950337.db2.gz ADEOWFFDHNRZLL-UHFFFAOYSA-N 3 2 376.614 3.614 20 0 GHADLP CC[NH+]1CCC(C[NH+]2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)CC1 ZINC001208596047 1034950338 /nfs/dbraw/zinc/95/03/38/1034950338.db2.gz ADEOWFFDHNRZLL-UHFFFAOYSA-N 3 2 376.614 3.614 20 0 GHADLP C[C@@H](CC[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1)CC(C)(C)C ZINC001208664712 1034973883 /nfs/dbraw/zinc/97/38/83/1034973883.db2.gz NSSPBCLXWFXQLG-NRFANRHFSA-N 3 2 392.676 3.625 20 0 GHADLP FC(F)(F)c1ccc(CCC[N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC001208686354 1034979854 /nfs/dbraw/zinc/97/98/54/1034979854.db2.gz FBFZJSSYCYFONN-UHFFFAOYSA-N 2 2 392.469 3.946 20 0 GHADLP FC(F)(F)c1ccc(CCC[N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC001208686354 1034979858 /nfs/dbraw/zinc/97/98/58/1034979858.db2.gz FBFZJSSYCYFONN-UHFFFAOYSA-N 2 2 392.469 3.946 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001232003231 1035036285 /nfs/dbraw/zinc/03/62/85/1035036285.db2.gz VTXSTFLVUNEMRK-OALUTQOASA-N 2 2 375.438 3.973 20 0 GHADLP C[C@H](C[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1)C(F)(F)F ZINC001208889978 1035076845 /nfs/dbraw/zinc/07/68/45/1035076845.db2.gz CYZVDRCLEKGODM-ZBFHGGJFSA-N 2 2 377.401 3.813 20 0 GHADLP C[C@H](C[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1)C(F)(F)F ZINC001208889978 1035076849 /nfs/dbraw/zinc/07/68/49/1035076849.db2.gz CYZVDRCLEKGODM-ZBFHGGJFSA-N 2 2 377.401 3.813 20 0 GHADLP C[C@H](C[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1)C(F)(F)F ZINC001208889978 1035076852 /nfs/dbraw/zinc/07/68/52/1035076852.db2.gz CYZVDRCLEKGODM-ZBFHGGJFSA-N 2 2 377.401 3.813 20 0 GHADLP C[C@H](C[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1)C(F)(F)F ZINC001208889978 1035076855 /nfs/dbraw/zinc/07/68/55/1035076855.db2.gz CYZVDRCLEKGODM-ZBFHGGJFSA-N 2 2 377.401 3.813 20 0 GHADLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952783 1035125529 /nfs/dbraw/zinc/12/55/29/1035125529.db2.gz LKRRMZMNWHWGSZ-PLQXJYEYSA-N 3 2 377.576 3.962 20 0 GHADLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952783 1035125533 /nfs/dbraw/zinc/12/55/33/1035125533.db2.gz LKRRMZMNWHWGSZ-PLQXJYEYSA-N 3 2 377.576 3.962 20 0 GHADLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952783 1035125537 /nfs/dbraw/zinc/12/55/37/1035125537.db2.gz LKRRMZMNWHWGSZ-PLQXJYEYSA-N 3 2 377.576 3.962 20 0 GHADLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952783 1035125539 /nfs/dbraw/zinc/12/55/39/1035125539.db2.gz LKRRMZMNWHWGSZ-PLQXJYEYSA-N 3 2 377.576 3.962 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC001232147672 1035126715 /nfs/dbraw/zinc/12/67/15/1035126715.db2.gz RQFMLHFIBHAVNP-UHFFFAOYSA-N 2 2 396.432 3.623 20 0 GHADLP COC(=O)CCCCCCCCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001209096396 1035171756 /nfs/dbraw/zinc/17/17/56/1035171756.db2.gz IHRMVAVBMNAGOR-UHFFFAOYSA-N 2 2 377.529 3.506 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CCc3cc(F)cc(F)c3)CC[C@@H]21 ZINC001209130188 1035186010 /nfs/dbraw/zinc/18/60/10/1035186010.db2.gz MOFWZRYVEZGNQF-COPCDDAFSA-N 2 2 388.506 3.577 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CCc3cc(F)cc(F)c3)CC[C@@H]21 ZINC001209130188 1035186013 /nfs/dbraw/zinc/18/60/13/1035186013.db2.gz MOFWZRYVEZGNQF-COPCDDAFSA-N 2 2 388.506 3.577 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](CCc3cc(F)cc(F)c3)CC[C@@H]21 ZINC001209130188 1035186018 /nfs/dbraw/zinc/18/60/18/1035186018.db2.gz MOFWZRYVEZGNQF-COPCDDAFSA-N 2 2 388.506 3.577 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](CCc3cc(F)cc(F)c3)CC[C@@H]21 ZINC001209130188 1035186023 /nfs/dbraw/zinc/18/60/23/1035186023.db2.gz MOFWZRYVEZGNQF-COPCDDAFSA-N 2 2 388.506 3.577 20 0 GHADLP CCCC[NH+]1CCC([N@H+](C)CC2(F)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001209239200 1035215856 /nfs/dbraw/zinc/21/58/56/1035215856.db2.gz DAWQRCOSOXYCPM-UHFFFAOYSA-N 2 2 385.568 3.922 20 0 GHADLP CCCC[NH+]1CCC([N@@H+](C)CC2(F)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001209239200 1035215859 /nfs/dbraw/zinc/21/58/59/1035215859.db2.gz DAWQRCOSOXYCPM-UHFFFAOYSA-N 2 2 385.568 3.922 20 0 GHADLP CCC[NH+](CCC)CCCN1CC[NH+](CCc2cc(F)c(F)cc2F)CC1 ZINC001209257173 1035224163 /nfs/dbraw/zinc/22/41/63/1035224163.db2.gz ISBKJEOGXCYUQB-UHFFFAOYSA-N 2 2 385.518 3.776 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](CCOc1ccccc1)C2 ZINC001209297710 1035233888 /nfs/dbraw/zinc/23/38/88/1035233888.db2.gz HEQQPNMEFTZJDH-UHFFFAOYSA-N 2 2 377.488 3.744 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](CCOc1ccccc1)C2 ZINC001209297710 1035233895 /nfs/dbraw/zinc/23/38/95/1035233895.db2.gz HEQQPNMEFTZJDH-UHFFFAOYSA-N 2 2 377.488 3.744 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](CCOc1ccccc1)C2 ZINC001209297710 1035233900 /nfs/dbraw/zinc/23/39/00/1035233900.db2.gz HEQQPNMEFTZJDH-UHFFFAOYSA-N 2 2 377.488 3.744 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](CCOc1ccccc1)C2 ZINC001209297710 1035233902 /nfs/dbraw/zinc/23/39/02/1035233902.db2.gz HEQQPNMEFTZJDH-UHFFFAOYSA-N 2 2 377.488 3.744 20 0 GHADLP Brc1ccc2c(C3C[NH+](CC4Cc5ccccc5C4)C3)[nH+]cn2c1 ZINC001209322506 1035242709 /nfs/dbraw/zinc/24/27/09/1035242709.db2.gz KUXHPVFEPJCDJV-UHFFFAOYSA-N 2 2 382.305 3.911 20 0 GHADLP COCc1cc[nH+]c(NCC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)c1 ZINC001161578188 1035263418 /nfs/dbraw/zinc/26/34/18/1035263418.db2.gz ZMFWSUREYJGBSO-UHFFFAOYSA-N 2 2 379.426 3.980 20 0 GHADLP Cc1cc(-c2noc([C@@H]3CCC[N@@H+]3C3CC[NH2+]CC3)n2)ccc1Br ZINC001248247373 1035692399 /nfs/dbraw/zinc/69/23/99/1035692399.db2.gz FMOOGLQNPNNWIC-INIZCTEOSA-N 2 2 391.313 3.696 20 0 GHADLP Cc1cc(-c2noc([C@@H]3CCC[N@H+]3C3CC[NH2+]CC3)n2)ccc1Br ZINC001248247373 1035692418 /nfs/dbraw/zinc/69/24/18/1035692418.db2.gz FMOOGLQNPNNWIC-INIZCTEOSA-N 2 2 391.313 3.696 20 0 GHADLP COc1cccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)c1 ZINC001462025933 1069953496 /nfs/dbraw/zinc/95/34/96/1069953496.db2.gz VMLDURXASZSOTA-UHFFFAOYSA-N 2 2 378.419 3.710 20 0 GHADLP COc1cccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)c1 ZINC001462025933 1069953501 /nfs/dbraw/zinc/95/35/01/1069953501.db2.gz VMLDURXASZSOTA-UHFFFAOYSA-N 2 2 378.419 3.710 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc4nc(C)ccc34)CC2)CC1 ZINC001248555626 1035952127 /nfs/dbraw/zinc/95/21/27/1035952127.db2.gz DMDVZBYHRPMDBK-UHFFFAOYSA-N 2 2 395.547 3.783 20 0 GHADLP Fc1cc(OCC[NH+]2CCOCC2)ccc1-c1ccc(C[NH+]2CCCCC2)cn1 ZINC001244135112 1036388651 /nfs/dbraw/zinc/38/86/51/1036388651.db2.gz JQTPLGUIYAUGMJ-UHFFFAOYSA-N 2 2 399.510 3.585 20 0 GHADLP COCOc1ccc(C(F)(F)F)cc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001244635999 1036575754 /nfs/dbraw/zinc/57/57/54/1036575754.db2.gz FPRVQIXWKUQSLT-UHFFFAOYSA-N 2 2 377.366 3.690 20 0 GHADLP C[C@@]1([NH2+]C[C@H](O)c2cc(Cl)cc3c2-c2ccc(Cl)cc2C3)CC[NH2+]C1 ZINC001245993160 1037114992 /nfs/dbraw/zinc/11/49/92/1037114992.db2.gz NASMJSDOUJOSEZ-AZUAARDMSA-N 2 2 377.315 3.940 20 0 GHADLP CCCC[C@@H](CC)COC[C@H](O)C[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246034333 1037148528 /nfs/dbraw/zinc/14/85/28/1037148528.db2.gz PWNSHOWIAKYHMW-MSNJVRRCSA-N 2 2 388.596 3.802 20 0 GHADLP CCCC[C@@H](CC)COC[C@H](O)C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246034333 1037148571 /nfs/dbraw/zinc/14/85/71/1037148571.db2.gz PWNSHOWIAKYHMW-MSNJVRRCSA-N 2 2 388.596 3.802 20 0 GHADLP c1ccc(C[NH+](Cc2ccccc2)C2CCC([NH2+][C@@H]3C[NH2+]CCOC3)CC2)cc1 ZINC001246092797 1037193334 /nfs/dbraw/zinc/19/33/34/1037193334.db2.gz KFDBMCNDEJGYJM-OADZCNSWSA-N 3 2 393.575 3.578 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC[NH2+]1 ZINC001246239101 1037249684 /nfs/dbraw/zinc/24/96/84/1037249684.db2.gz INOUEXHMJBWXQD-JTHBVZDNSA-N 2 2 378.495 3.962 20 0 GHADLP CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246338596 1037302179 /nfs/dbraw/zinc/30/21/79/1037302179.db2.gz ZUXITXSVPDLLLR-OBXNSHGQSA-N 2 2 378.944 3.716 20 0 GHADLP CCOC(=O)c1csc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)c1 ZINC001246348559 1037307266 /nfs/dbraw/zinc/30/72/66/1037307266.db2.gz SBEVFSKUMXFNHL-QFBILLFUSA-N 2 2 376.497 3.955 20 0 GHADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC)cc2Br)CC[NH2+]1 ZINC001246357133 1037316150 /nfs/dbraw/zinc/31/61/50/1037316150.db2.gz WLWYHPDNWTVJEJ-HOTGVXAUSA-N 2 2 383.330 3.636 20 0 GHADLP Clc1cccc(CC2([NH2+][C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246427458 1037384004 /nfs/dbraw/zinc/38/40/04/1037384004.db2.gz HCLYCTROZQXDSF-PKTZIBPZSA-N 3 2 397.994 3.958 20 0 GHADLP O=C([C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)N1CCCCC1 ZINC001246462852 1037417764 /nfs/dbraw/zinc/41/77/64/1037417764.db2.gz JEKNRJBMYCZFAU-VXNXHJTFSA-N 2 2 391.559 3.693 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246622191 1037513437 /nfs/dbraw/zinc/51/34/37/1037513437.db2.gz XVKNUTUBEPHWPK-GMAHTHKFSA-N 3 2 387.612 3.910 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246622191 1037513456 /nfs/dbraw/zinc/51/34/56/1037513456.db2.gz XVKNUTUBEPHWPK-GMAHTHKFSA-N 3 2 387.612 3.910 20 0 GHADLP c1ccc([C@@H]2C[C@H]([N@@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246675876 1037542794 /nfs/dbraw/zinc/54/27/94/1037542794.db2.gz YUHDAXHOYKHEOB-NGSHPTGOSA-N 3 2 375.560 3.733 20 0 GHADLP c1ccc([C@@H]2C[C@H]([N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246675876 1037542805 /nfs/dbraw/zinc/54/28/05/1037542805.db2.gz YUHDAXHOYKHEOB-NGSHPTGOSA-N 3 2 375.560 3.733 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)CC2 ZINC001246739893 1037583149 /nfs/dbraw/zinc/58/31/49/1037583149.db2.gz OTAJWHQQALCOJY-RJGXRXQPSA-N 3 2 399.623 3.909 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)CC2 ZINC001246739893 1037583160 /nfs/dbraw/zinc/58/31/60/1037583160.db2.gz OTAJWHQQALCOJY-RJGXRXQPSA-N 3 2 399.623 3.909 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1C ZINC001462201957 1070078951 /nfs/dbraw/zinc/07/89/51/1070078951.db2.gz LAVHCELJUWDHEK-FGZHOGPDSA-N 2 2 375.472 3.997 20 0 GHADLP FC(F)(F)c1ccc(N2CC[NH+]([C@H]3CC[NH2+]C4(CCC4)C3)CC2)nc1Cl ZINC001246788802 1037628757 /nfs/dbraw/zinc/62/87/57/1037628757.db2.gz QCHXNGWWZZMTHM-ZDUSSCGKSA-N 2 2 388.865 3.551 20 0 GHADLP Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246791183 1037631416 /nfs/dbraw/zinc/63/14/16/1037631416.db2.gz QCZQTRHFYFFXMY-NUNAXRQHSA-N 2 2 397.513 3.955 20 0 GHADLP Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN([C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246791183 1037631430 /nfs/dbraw/zinc/63/14/30/1037631430.db2.gz QCZQTRHFYFFXMY-NUNAXRQHSA-N 2 2 397.513 3.955 20 0 GHADLP c1ccc(C[C@@H]2C[C@@H]([N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246830523 1037660981 /nfs/dbraw/zinc/66/09/81/1037660981.db2.gz VKJSSFIPCZVEGA-UODIDJSMSA-N 3 2 389.587 3.948 20 0 GHADLP c1ccc(C[C@@H]2C[C@@H]([N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246830523 1037661011 /nfs/dbraw/zinc/66/10/11/1037661011.db2.gz VKJSSFIPCZVEGA-UODIDJSMSA-N 3 2 389.587 3.948 20 0 GHADLP c1ccc(C[C@@H]2C[C@@H]([NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246830523 1037661016 /nfs/dbraw/zinc/66/10/16/1037661016.db2.gz VKJSSFIPCZVEGA-UODIDJSMSA-N 3 2 389.587 3.948 20 0 GHADLP c1ccc(C[C@@H]2C[C@@H]([NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246830523 1037661024 /nfs/dbraw/zinc/66/10/24/1037661024.db2.gz VKJSSFIPCZVEGA-UODIDJSMSA-N 3 2 389.587 3.948 20 0 GHADLP Clc1ccc(CN2CC[NH+]([C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246836414 1037665122 /nfs/dbraw/zinc/66/51/22/1037665122.db2.gz WOADGIOBLITSII-DHIUTWEWSA-N 2 2 383.967 3.821 20 0 GHADLP Clc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246836414 1037665139 /nfs/dbraw/zinc/66/51/39/1037665139.db2.gz WOADGIOBLITSII-DHIUTWEWSA-N 2 2 383.967 3.821 20 0 GHADLP CCOC(=O)[C@@H]1C[C@H](n2cc(C[NH2+]Cc3ccccc3)c3ccccc32)CC[NH2+]1 ZINC001246913751 1037721059 /nfs/dbraw/zinc/72/10/59/1037721059.db2.gz LPISSZWBTRQLNX-IRLDBZIGSA-N 2 2 391.515 3.787 20 0 GHADLP Brc1ccc2c(c1)C[C@@H]([N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1)C2 ZINC001246949876 1037752957 /nfs/dbraw/zinc/75/29/57/1037752957.db2.gz RFBMAQMOKRRHJX-UXHICEINSA-N 2 2 386.337 3.566 20 0 GHADLP Brc1ccc2c(c1)C[C@@H]([N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1)C2 ZINC001246949876 1037752977 /nfs/dbraw/zinc/75/29/77/1037752977.db2.gz RFBMAQMOKRRHJX-UXHICEINSA-N 2 2 386.337 3.566 20 0 GHADLP CCC[NH+](CCC)CCCN1CC[NH+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC001246950963 1037753111 /nfs/dbraw/zinc/75/31/11/1037753111.db2.gz XMVYNPHTMDQFDS-BJKOFHAPSA-N 3 2 386.628 3.609 20 0 GHADLP COc1ccc(Cl)c2c1C[C@H]([N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1)CC2 ZINC001246964694 1037787494 /nfs/dbraw/zinc/78/74/94/1037787494.db2.gz PEGKHGHQUUZMPB-QZTJIDSGSA-N 2 2 385.939 3.855 20 0 GHADLP COc1ccc(Cl)c2c1C[C@H]([N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1)CC2 ZINC001246964694 1037787512 /nfs/dbraw/zinc/78/75/12/1037787512.db2.gz PEGKHGHQUUZMPB-QZTJIDSGSA-N 2 2 385.939 3.855 20 0 GHADLP Cc1cncnc1O[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246975632 1037799840 /nfs/dbraw/zinc/79/98/40/1037799840.db2.gz MQCOZZZIWXRNAY-SBHAEUEKSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1cncnc1O[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246975632 1037799859 /nfs/dbraw/zinc/79/98/59/1037799859.db2.gz MQCOZZZIWXRNAY-SBHAEUEKSA-N 2 2 384.499 3.569 20 0 GHADLP COc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)cc[nH+]1 ZINC001246981552 1037806850 /nfs/dbraw/zinc/80/68/50/1037806850.db2.gz WXYVZWXKQAALNR-DENIHFKCSA-N 3 2 398.526 3.589 20 0 GHADLP c1ccc([C@@H]2C[C@H]([NH+]3CCN(c4ccc(-c5ncccn5)cc4)CC3)CC[NH2+]2)cc1 ZINC001246982302 1037807179 /nfs/dbraw/zinc/80/71/79/1037807179.db2.gz BTRLTFOLQWSYDC-RPWUZVMVSA-N 2 2 399.542 3.759 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2c[nH]c4nccc(Cl)c24)CC3)n1 ZINC001232457135 1038243989 /nfs/dbraw/zinc/24/39/89/1038243989.db2.gz KQQPIDJBJVGPRW-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2c[nH]c4nccc(Cl)c24)CC3)n1 ZINC001232457135 1038243992 /nfs/dbraw/zinc/24/39/92/1038243992.db2.gz KQQPIDJBJVGPRW-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3ccc(Cl)c(OC(F)(F)F)c3)no2)cc1 ZINC001247698350 1038337550 /nfs/dbraw/zinc/33/75/50/1038337550.db2.gz GGCBFYMKYHVHPR-ZDUSSCGKSA-N 2 2 398.772 3.914 20 0 GHADLP O=C(c1ccccc1)c1ccc(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)cc1 ZINC001247857796 1038428607 /nfs/dbraw/zinc/42/86/07/1038428607.db2.gz DWXZVCCADQVCSI-LJQANCHMSA-N 2 2 388.471 3.514 20 0 GHADLP Clc1ccc(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)cc1Br ZINC001247862263 1038432501 /nfs/dbraw/zinc/43/25/01/1038432501.db2.gz VCLHINXHSDUNIL-ZDUSSCGKSA-N 2 2 397.704 3.699 20 0 GHADLP COc1cc(Br)cc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1 ZINC001233214111 1038975097 /nfs/dbraw/zinc/97/50/97/1038975097.db2.gz ISVIEDYHMHSZKK-UHFFFAOYSA-N 2 2 390.325 3.900 20 0 GHADLP O[C@@]1(C[N@H+](Cc2ccccn2)C2CCCCC2)CC[NH+](Cc2ccccc2)C1 ZINC001252932832 1039271303 /nfs/dbraw/zinc/27/13/03/1039271303.db2.gz YGYLWJMFLLRCHU-DEOSSOPVSA-N 2 2 379.548 3.853 20 0 GHADLP O[C@@]1(C[N@@H+](Cc2ccccn2)C2CCCCC2)CC[NH+](Cc2ccccc2)C1 ZINC001252932832 1039271315 /nfs/dbraw/zinc/27/13/15/1039271315.db2.gz YGYLWJMFLLRCHU-DEOSSOPVSA-N 2 2 379.548 3.853 20 0 GHADLP O[C@@]1(C[NH+](Cc2ccccn2)C2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252932832 1039271324 /nfs/dbraw/zinc/27/13/24/1039271324.db2.gz YGYLWJMFLLRCHU-DEOSSOPVSA-N 2 2 379.548 3.853 20 0 GHADLP O[C@@]1(C[NH+](Cc2ccccn2)C2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252932832 1039271341 /nfs/dbraw/zinc/27/13/41/1039271341.db2.gz YGYLWJMFLLRCHU-DEOSSOPVSA-N 2 2 379.548 3.853 20 0 GHADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(Oc2ccc(Cl)c(Cl)c2)CC1 ZINC001253187872 1039466365 /nfs/dbraw/zinc/46/63/65/1039466365.db2.gz KGIZVSXEFUQTFI-CQSZACIVSA-N 2 2 375.340 3.539 20 0 GHADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001253209354 1039476170 /nfs/dbraw/zinc/47/61/70/1039476170.db2.gz ASNOJEJRMGLHFG-HKUYNNGSSA-N 2 2 391.556 3.555 20 0 GHADLP CCCCC[C@@H](O)C[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001253532996 1039695031 /nfs/dbraw/zinc/69/50/31/1039695031.db2.gz WZIQMVSWASQJLF-WOJBJXKFSA-N 2 2 381.511 3.556 20 0 GHADLP CCCCC[C@@H](O)C[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001253532996 1039695043 /nfs/dbraw/zinc/69/50/43/1039695043.db2.gz WZIQMVSWASQJLF-WOJBJXKFSA-N 2 2 381.511 3.556 20 0 GHADLP CCCCC[C@@H](O)C[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001253532996 1039695052 /nfs/dbraw/zinc/69/50/52/1039695052.db2.gz WZIQMVSWASQJLF-WOJBJXKFSA-N 2 2 381.511 3.556 20 0 GHADLP CCCCC[C@@H](O)C[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001253532996 1039695063 /nfs/dbraw/zinc/69/50/63/1039695063.db2.gz WZIQMVSWASQJLF-WOJBJXKFSA-N 2 2 381.511 3.556 20 0 GHADLP CCCC[C@@](CC)([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C(=O)OCC ZINC001254051519 1039976623 /nfs/dbraw/zinc/97/66/23/1039976623.db2.gz PMBWSVPHBZRGAM-HSZRJFAPSA-N 2 2 390.568 3.505 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001254209063 1040062945 /nfs/dbraw/zinc/06/29/45/1040062945.db2.gz JQVQZXZNCSIYKS-ZWKOTPCHSA-N 2 2 375.513 3.633 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001254209063 1040062970 /nfs/dbraw/zinc/06/29/70/1040062970.db2.gz JQVQZXZNCSIYKS-ZWKOTPCHSA-N 2 2 375.513 3.633 20 0 GHADLP COc1cc(Cl)ncc1C[NH+]1CCC2(C[NH+](CCCC(F)(F)F)C2)CC1 ZINC001278785871 1040240284 /nfs/dbraw/zinc/24/02/84/1040240284.db2.gz UXCDYDIYZGSHIU-UHFFFAOYSA-N 2 2 391.865 3.984 20 0 GHADLP [NH3+]C[C@@H]([NH2+]C1CCN(c2ccc(F)cc2)CC1)c1ccc(Br)cc1 ZINC001254617366 1040388086 /nfs/dbraw/zinc/38/80/86/1040388086.db2.gz VEEBOGOSPALGJL-LJQANCHMSA-N 2 2 392.316 3.847 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1OC(=O)c1cccs1 ZINC001234990637 1040486064 /nfs/dbraw/zinc/48/60/64/1040486064.db2.gz BXACVGVMEOIPHD-NRFANRHFSA-N 2 2 386.517 3.551 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1OC(=O)c1cccs1 ZINC001234990637 1040486072 /nfs/dbraw/zinc/48/60/72/1040486072.db2.gz BXACVGVMEOIPHD-NRFANRHFSA-N 2 2 386.517 3.551 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc(OCc2ccccc2)c1OC ZINC001235000161 1040494857 /nfs/dbraw/zinc/49/48/57/1040494857.db2.gz PBLUABFKKRVPQS-XMMPIXPASA-N 2 2 396.531 3.858 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc(OCc2ccccc2)c1OC ZINC001235000161 1040494861 /nfs/dbraw/zinc/49/48/61/1040494861.db2.gz PBLUABFKKRVPQS-XMMPIXPASA-N 2 2 396.531 3.858 20 0 GHADLP Fc1cccc(COc2ccc(C[N@@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cc2)c1 ZINC001235008812 1040498329 /nfs/dbraw/zinc/49/83/29/1040498329.db2.gz RALVVGJORLTTJP-QHCPKHFHSA-N 2 2 384.495 3.607 20 0 GHADLP Fc1cccc(COc2ccc(C[N@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cc2)c1 ZINC001235008812 1040498343 /nfs/dbraw/zinc/49/83/43/1040498343.db2.gz RALVVGJORLTTJP-QHCPKHFHSA-N 2 2 384.495 3.607 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1ccc3c(c1)CCCO3)CC2 ZINC001235019249 1040508924 /nfs/dbraw/zinc/50/89/24/1040508924.db2.gz OKBVVVBWUGMXOR-UHFFFAOYSA-N 2 2 378.516 3.657 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1ccc3c(c1)CCCO3)CC2 ZINC001235019249 1040508938 /nfs/dbraw/zinc/50/89/38/1040508938.db2.gz OKBVVVBWUGMXOR-UHFFFAOYSA-N 2 2 378.516 3.657 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c(OCc2ccccc2)c1 ZINC001235023727 1040516710 /nfs/dbraw/zinc/51/67/10/1040516710.db2.gz WKFUPJWFTOVDGV-DEOSSOPVSA-N 2 2 380.532 3.776 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c(OCc2ccccc2)c1 ZINC001235023727 1040516726 /nfs/dbraw/zinc/51/67/26/1040516726.db2.gz WKFUPJWFTOVDGV-DEOSSOPVSA-N 2 2 380.532 3.776 20 0 GHADLP Fc1ccccc1-c1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c[nH]1 ZINC001235032817 1040524358 /nfs/dbraw/zinc/52/43/58/1040524358.db2.gz RRMSAOUEZDYYHW-WOJBJXKFSA-N 2 2 376.479 3.780 20 0 GHADLP CC(C)[N@@H+](C)[C@H]1CCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)C1 ZINC001235039922 1040533538 /nfs/dbraw/zinc/53/35/38/1040533538.db2.gz ROXJUUMJGSYMKN-INIZCTEOSA-N 2 2 377.330 3.549 20 0 GHADLP CC(C)[N@H+](C)[C@H]1CCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)C1 ZINC001235039922 1040533521 /nfs/dbraw/zinc/53/35/21/1040533521.db2.gz ROXJUUMJGSYMKN-INIZCTEOSA-N 2 2 377.330 3.549 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CC[C@H]([NH+]1CCC(Oc3cc[nH+]cc3)CC1)C2 ZINC001254777611 1040537352 /nfs/dbraw/zinc/53/73/52/1040537352.db2.gz NWJPQMKARDEMAR-KRWDZBQOSA-N 2 2 387.524 3.714 20 0 GHADLP Cc1c(Br)cc(C[NH+]2CC3(C2)CC[NH2+]CC3)cc1Br ZINC001235093103 1040583727 /nfs/dbraw/zinc/58/37/27/1040583727.db2.gz OWDYMLNCXHRIBV-UHFFFAOYSA-N 2 2 388.147 3.705 20 0 GHADLP Brc1cc(C[N@@H+]2CCCCC23CC[NH2+]CC3)ccc1-n1ccnc1 ZINC001235190031 1040680067 /nfs/dbraw/zinc/68/00/67/1040680067.db2.gz CEQIWWNUGNNWCV-UHFFFAOYSA-N 2 2 389.341 3.743 20 0 GHADLP Brc1cc(C[N@H+]2CCCCC23CC[NH2+]CC3)ccc1-n1ccnc1 ZINC001235190031 1040680079 /nfs/dbraw/zinc/68/00/79/1040680079.db2.gz CEQIWWNUGNNWCV-UHFFFAOYSA-N 2 2 389.341 3.743 20 0 GHADLP FC(F)(F)c1nc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)cs1 ZINC001278832303 1040718990 /nfs/dbraw/zinc/71/89/90/1040718990.db2.gz NZILJOIDDCXIER-OKILXGFUSA-N 2 2 384.471 3.834 20 0 GHADLP FC(F)(F)c1nc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)cs1 ZINC001278832303 1040718996 /nfs/dbraw/zinc/71/89/96/1040718996.db2.gz NZILJOIDDCXIER-OKILXGFUSA-N 2 2 384.471 3.834 20 0 GHADLP FC(F)(F)c1nc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)cs1 ZINC001278832303 1040719003 /nfs/dbraw/zinc/71/90/03/1040719003.db2.gz NZILJOIDDCXIER-OKILXGFUSA-N 2 2 384.471 3.834 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cn2)cc1 ZINC001235268964 1040746690 /nfs/dbraw/zinc/74/66/90/1040746690.db2.gz KECLELRVYMFOGB-LPHOPBHVSA-N 2 2 377.410 3.831 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cn2)cc1 ZINC001235268964 1040746698 /nfs/dbraw/zinc/74/66/98/1040746698.db2.gz KECLELRVYMFOGB-LPHOPBHVSA-N 2 2 377.410 3.831 20 0 GHADLP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3OCc3ccccc3)C[C@@H]12 ZINC001235285905 1040758009 /nfs/dbraw/zinc/75/80/09/1040758009.db2.gz WDCGBZCVMGWZIZ-IZZQQSIFSA-N 2 2 378.394 3.553 20 0 GHADLP [NH3+][C@H]1[C@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3OCc3ccccc3)C[C@@H]12 ZINC001235285905 1040758045 /nfs/dbraw/zinc/75/80/45/1040758045.db2.gz WDCGBZCVMGWZIZ-IZZQQSIFSA-N 2 2 378.394 3.553 20 0 GHADLP Clc1cc2c(cc1C[N@@H+]1CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C1)OCO2 ZINC001235361246 1040845942 /nfs/dbraw/zinc/84/59/42/1040845942.db2.gz DKSMXOIERPZRPC-PGRDOPGGSA-N 2 2 384.907 3.822 20 0 GHADLP Clc1cc2c(cc1C[N@H+]1CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C1)OCO2 ZINC001235361246 1040845970 /nfs/dbraw/zinc/84/59/70/1040845970.db2.gz DKSMXOIERPZRPC-PGRDOPGGSA-N 2 2 384.907 3.822 20 0 GHADLP Cc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc(C)c1OCCO ZINC001235363110 1040848307 /nfs/dbraw/zinc/84/83/07/1040848307.db2.gz NXAZSKGWMSRECL-UHFFFAOYSA-N 2 2 382.548 3.771 20 0 GHADLP Cc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc(C)c1OCCO ZINC001235363110 1040848344 /nfs/dbraw/zinc/84/83/44/1040848344.db2.gz NXAZSKGWMSRECL-UHFFFAOYSA-N 2 2 382.548 3.771 20 0 GHADLP CCOC(=O)c1ccccc1C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235382020 1040901660 /nfs/dbraw/zinc/90/16/60/1040901660.db2.gz MBNXSTNMUJWXHS-QPPBQGQZSA-N 2 2 378.516 3.617 20 0 GHADLP CCOC(=O)c1ccccc1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235382020 1040901662 /nfs/dbraw/zinc/90/16/62/1040901662.db2.gz MBNXSTNMUJWXHS-QPPBQGQZSA-N 2 2 378.516 3.617 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C)C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001255204629 1040903768 /nfs/dbraw/zinc/90/37/68/1040903768.db2.gz QFQGPIFNVPBWAV-ZBYYUNFXSA-N 2 2 385.552 3.735 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C)C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001255204629 1040903773 /nfs/dbraw/zinc/90/37/73/1040903773.db2.gz QFQGPIFNVPBWAV-ZBYYUNFXSA-N 2 2 385.552 3.735 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC001235384153 1040904218 /nfs/dbraw/zinc/90/42/18/1040904218.db2.gz RGHCDFKFTNISFJ-OFNKIYASSA-N 2 2 398.934 3.880 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC001235384153 1040904229 /nfs/dbraw/zinc/90/42/29/1040904229.db2.gz RGHCDFKFTNISFJ-OFNKIYASSA-N 2 2 398.934 3.880 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Oc3cc[nH+]cc3)CC1)C2 ZINC001255236170 1040920216 /nfs/dbraw/zinc/92/02/16/1040920216.db2.gz FUHLPIQMVWTXGP-PIIMJCKOSA-N 2 2 387.524 3.855 20 0 GHADLP COc1cncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001235467085 1040950961 /nfs/dbraw/zinc/95/09/61/1040950961.db2.gz VBQAWCIULXXXLX-VLCRHTCISA-N 2 2 380.536 3.526 20 0 GHADLP COc1cncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001235467085 1040950963 /nfs/dbraw/zinc/95/09/63/1040950963.db2.gz VBQAWCIULXXXLX-VLCRHTCISA-N 2 2 380.536 3.526 20 0 GHADLP COc1cncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001235467085 1040950964 /nfs/dbraw/zinc/95/09/64/1040950964.db2.gz VBQAWCIULXXXLX-VLCRHTCISA-N 2 2 380.536 3.526 20 0 GHADLP COc1cncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001235467085 1040950965 /nfs/dbraw/zinc/95/09/65/1040950965.db2.gz VBQAWCIULXXXLX-VLCRHTCISA-N 2 2 380.536 3.526 20 0 GHADLP c1ccc(OC[C@@H]2CCC[C@@]23C[N@H+](CCC[NH2+]C2CCCCC2)CCO3)nc1 ZINC001235518720 1040973179 /nfs/dbraw/zinc/97/31/79/1040973179.db2.gz RPEOWZACHKNGFB-NZQKXSOJSA-N 2 2 387.568 3.644 20 0 GHADLP c1ccc(OC[C@@H]2CCC[C@@]23C[N@@H+](CCC[NH2+]C2CCCCC2)CCO3)nc1 ZINC001235518720 1040973181 /nfs/dbraw/zinc/97/31/81/1040973181.db2.gz RPEOWZACHKNGFB-NZQKXSOJSA-N 2 2 387.568 3.644 20 0 GHADLP COc1cccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC001255391438 1040979434 /nfs/dbraw/zinc/97/94/34/1040979434.db2.gz PWBGFYYYVRPYEQ-RPWUZVMVSA-N 2 2 393.575 3.914 20 0 GHADLP COc1cccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC001255391438 1040979439 /nfs/dbraw/zinc/97/94/39/1040979439.db2.gz PWBGFYYYVRPYEQ-RPWUZVMVSA-N 2 2 393.575 3.914 20 0 GHADLP COc1cccc(C[NH+]2CC[C@H](N[C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)c1 ZINC001255391438 1040979440 /nfs/dbraw/zinc/97/94/40/1040979440.db2.gz PWBGFYYYVRPYEQ-RPWUZVMVSA-N 2 2 393.575 3.914 20 0 GHADLP COc1cccc(C[NH+]2CC[C@H](N[C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)c1 ZINC001255391438 1040979442 /nfs/dbraw/zinc/97/94/42/1040979442.db2.gz PWBGFYYYVRPYEQ-RPWUZVMVSA-N 2 2 393.575 3.914 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCN4CCc5ccccc5[C@@H]4C3)CC2)cc1 ZINC001255409532 1040997823 /nfs/dbraw/zinc/99/78/23/1040997823.db2.gz ZTIDESJOJYQOFW-NOZRDPDXSA-N 2 2 375.560 3.956 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCN4CCc5ccccc5[C@@H]4C3)CC2)cc1 ZINC001255409532 1040997824 /nfs/dbraw/zinc/99/78/24/1040997824.db2.gz ZTIDESJOJYQOFW-NOZRDPDXSA-N 2 2 375.560 3.956 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CCN4CCc5ccccc5[C@@H]4C3)CC2)cc1 ZINC001255409532 1040997827 /nfs/dbraw/zinc/99/78/27/1040997827.db2.gz ZTIDESJOJYQOFW-NOZRDPDXSA-N 2 2 375.560 3.956 20 0 GHADLP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CCN4CCc5ccccc5[C@@H]4C3)CC2)cc1 ZINC001255409532 1040997843 /nfs/dbraw/zinc/99/78/43/1040997843.db2.gz ZTIDESJOJYQOFW-NOZRDPDXSA-N 2 2 375.560 3.956 20 0 GHADLP Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235694677 1041171224 /nfs/dbraw/zinc/17/12/24/1041171224.db2.gz HVBMLOPHSZKCBR-QFIPXVFZSA-N 2 2 385.502 3.814 20 0 GHADLP C[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001255642279 1041185777 /nfs/dbraw/zinc/18/57/77/1041185777.db2.gz WJROAGMGWZNSQF-FXAWDEMLSA-N 2 2 380.454 3.980 20 0 GHADLP COCC[N@H+](Cc1ccc(OCc2ccccc2)c(F)c1)C1CC[NH+](C)CC1 ZINC001235768681 1041260537 /nfs/dbraw/zinc/26/05/37/1041260537.db2.gz IXYYHMVPOVXAHW-UHFFFAOYSA-N 2 2 386.511 3.947 20 0 GHADLP COCC[N@@H+](Cc1ccc(OCc2ccccc2)c(F)c1)C1CC[NH+](C)CC1 ZINC001235768681 1041260548 /nfs/dbraw/zinc/26/05/48/1041260548.db2.gz IXYYHMVPOVXAHW-UHFFFAOYSA-N 2 2 386.511 3.947 20 0 GHADLP COCCC[N@H+](Cc1ccc2cc(Br)cnc2c1)[C@@H]1CCC[NH2+]C1 ZINC001235806992 1041315775 /nfs/dbraw/zinc/31/57/75/1041315775.db2.gz RHIOZDZEJMJBQK-GOSISDBHSA-N 2 2 392.341 3.588 20 0 GHADLP COCCC[N@@H+](Cc1ccc2cc(Br)cnc2c1)[C@@H]1CCC[NH2+]C1 ZINC001235806992 1041315788 /nfs/dbraw/zinc/31/57/88/1041315788.db2.gz RHIOZDZEJMJBQK-GOSISDBHSA-N 2 2 392.341 3.588 20 0 GHADLP COCCC[N@H+](Cc1ccc2ncc(Br)cc2c1)[C@@H]1CCC[NH2+]C1 ZINC001235809061 1041319135 /nfs/dbraw/zinc/31/91/35/1041319135.db2.gz IRUMONMAPJOOIR-GOSISDBHSA-N 2 2 392.341 3.588 20 0 GHADLP COCCC[N@@H+](Cc1ccc2ncc(Br)cc2c1)[C@@H]1CCC[NH2+]C1 ZINC001235809061 1041319143 /nfs/dbraw/zinc/31/91/43/1041319143.db2.gz IRUMONMAPJOOIR-GOSISDBHSA-N 2 2 392.341 3.588 20 0 GHADLP CC1([NH+]2CCN(Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)CC[NH2+]CC1 ZINC001235822037 1041338040 /nfs/dbraw/zinc/33/80/40/1041338040.db2.gz PNFOOEFJLLXHFD-UHFFFAOYSA-N 2 2 375.866 3.619 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C1 ZINC001255899858 1041383617 /nfs/dbraw/zinc/38/36/17/1041383617.db2.gz TXHDTVMODXNTSB-SFTDATJTSA-N 2 2 387.568 3.683 20 0 GHADLP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001255915239 1041398695 /nfs/dbraw/zinc/39/86/95/1041398695.db2.gz LFIBLTTYUKJGAN-OAQYLSRUSA-N 2 2 387.568 3.982 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001255915239 1041398700 /nfs/dbraw/zinc/39/87/00/1041398700.db2.gz LFIBLTTYUKJGAN-OAQYLSRUSA-N 2 2 387.568 3.982 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001255961769 1041440221 /nfs/dbraw/zinc/44/02/21/1041440221.db2.gz DAKKNTGPHVQMJM-GMAHTHKFSA-N 3 2 387.612 3.862 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001255961769 1041440227 /nfs/dbraw/zinc/44/02/27/1041440227.db2.gz DAKKNTGPHVQMJM-GMAHTHKFSA-N 3 2 387.612 3.862 20 0 GHADLP c1ccc(COc2ncccc2C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236009290 1041501274 /nfs/dbraw/zinc/50/12/74/1041501274.db2.gz FIWDWCHJVWPEAK-NOZRDPDXSA-N 2 2 385.511 3.634 20 0 GHADLP c1ccc(COc2ncccc2C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236009290 1041501283 /nfs/dbraw/zinc/50/12/83/1041501283.db2.gz FIWDWCHJVWPEAK-NOZRDPDXSA-N 2 2 385.511 3.634 20 0 GHADLP COc1ccc(C[N@H+](Cc2ccc(Br)n2C)C2CC[NH2+]CC2)cc1 ZINC001236447306 1041716716 /nfs/dbraw/zinc/71/67/16/1041716716.db2.gz KPBLFHXNHZBSPV-UHFFFAOYSA-N 2 2 392.341 3.550 20 0 GHADLP COc1ccc(C[N@@H+](Cc2ccc(Br)n2C)C2CC[NH2+]CC2)cc1 ZINC001236447306 1041716721 /nfs/dbraw/zinc/71/67/21/1041716721.db2.gz KPBLFHXNHZBSPV-UHFFFAOYSA-N 2 2 392.341 3.550 20 0 GHADLP COC(=O)c1cccc(C[N@H+](Cc2cc3cccc(F)c3[nH]2)C2CC[NH2+]CC2)c1 ZINC001236466438 1041728132 /nfs/dbraw/zinc/72/81/32/1041728132.db2.gz GMJLRXWIYPGBFL-UHFFFAOYSA-N 2 2 395.478 3.848 20 0 GHADLP COC(=O)c1cccc(C[N@@H+](Cc2cc3cccc(F)c3[nH]2)C2CC[NH2+]CC2)c1 ZINC001236466438 1041728143 /nfs/dbraw/zinc/72/81/43/1041728143.db2.gz GMJLRXWIYPGBFL-UHFFFAOYSA-N 2 2 395.478 3.848 20 0 GHADLP COc1cc(C[N@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)cc2c1OCO2 ZINC001236481012 1041734631 /nfs/dbraw/zinc/73/46/31/1041734631.db2.gz MFUHICXAKZUIGP-UHFFFAOYSA-N 2 2 386.467 3.626 20 0 GHADLP COc1cc(C[N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)cc2c1OCO2 ZINC001236481012 1041734635 /nfs/dbraw/zinc/73/46/35/1041734635.db2.gz MFUHICXAKZUIGP-UHFFFAOYSA-N 2 2 386.467 3.626 20 0 GHADLP Cc1ccc(C[N@H+](Cc2cccc(N3CCOCC3)c2)C2CC[NH2+]CC2)c(F)c1 ZINC001236497459 1041740677 /nfs/dbraw/zinc/74/06/77/1041740677.db2.gz VMZCXPVCLKNQNC-UHFFFAOYSA-N 2 2 397.538 3.725 20 0 GHADLP Cc1ccc(C[N@@H+](Cc2cccc(N3CCOCC3)c2)C2CC[NH2+]CC2)c(F)c1 ZINC001236497459 1041740679 /nfs/dbraw/zinc/74/06/79/1041740679.db2.gz VMZCXPVCLKNQNC-UHFFFAOYSA-N 2 2 397.538 3.725 20 0 GHADLP COC(=O)c1ccc(C[N@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)cc1F ZINC001236509668 1041746549 /nfs/dbraw/zinc/74/65/49/1041746549.db2.gz KDZGGURHJQXUDS-UHFFFAOYSA-N 2 2 388.458 3.814 20 0 GHADLP COC(=O)c1ccc(C[N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)cc1F ZINC001236509668 1041746556 /nfs/dbraw/zinc/74/65/56/1041746556.db2.gz KDZGGURHJQXUDS-UHFFFAOYSA-N 2 2 388.458 3.814 20 0 GHADLP COc1cc(C[N@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)cc(F)c1O ZINC001236520802 1041751492 /nfs/dbraw/zinc/75/14/92/1041751492.db2.gz ALXPNTVYJBJSBZ-UHFFFAOYSA-N 2 2 376.447 3.742 20 0 GHADLP COc1cc(C[N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)cc(F)c1O ZINC001236520802 1041751499 /nfs/dbraw/zinc/75/14/99/1041751499.db2.gz ALXPNTVYJBJSBZ-UHFFFAOYSA-N 2 2 376.447 3.742 20 0 GHADLP Cc1cc(F)ccc1C[N@H+](Cc1ccnc(OC(F)F)c1)C1CC[NH2+]CC1 ZINC001236522704 1041752416 /nfs/dbraw/zinc/75/24/16/1041752416.db2.gz SDCJNXIULRFNLW-UHFFFAOYSA-N 2 2 379.426 3.885 20 0 GHADLP Cc1cc(F)ccc1C[N@@H+](Cc1ccnc(OC(F)F)c1)C1CC[NH2+]CC1 ZINC001236522704 1041752421 /nfs/dbraw/zinc/75/24/21/1041752421.db2.gz SDCJNXIULRFNLW-UHFFFAOYSA-N 2 2 379.426 3.885 20 0 GHADLP CCOc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1F ZINC001236694550 1041837025 /nfs/dbraw/zinc/83/70/25/1041837025.db2.gz TWTLMBZACIVLLM-CZTZKLFOSA-N 2 2 398.526 3.747 20 0 GHADLP CCOc1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1F ZINC001236694550 1041837030 /nfs/dbraw/zinc/83/70/30/1041837030.db2.gz TWTLMBZACIVLLM-CZTZKLFOSA-N 2 2 398.526 3.747 20 0 GHADLP CCOc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1F ZINC001236694550 1041837031 /nfs/dbraw/zinc/83/70/31/1041837031.db2.gz TWTLMBZACIVLLM-CZTZKLFOSA-N 2 2 398.526 3.747 20 0 GHADLP CCOc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1F ZINC001236694550 1041837032 /nfs/dbraw/zinc/83/70/32/1041837032.db2.gz TWTLMBZACIVLLM-CZTZKLFOSA-N 2 2 398.526 3.747 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2N(C)C)C1 ZINC001236707866 1041845211 /nfs/dbraw/zinc/84/52/11/1041845211.db2.gz OCRUBWCXKZOGHJ-QGZVFWFLSA-N 2 2 390.325 3.872 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cc(Br)ccc2N(C)C)C1 ZINC001236707866 1041845213 /nfs/dbraw/zinc/84/52/13/1041845213.db2.gz OCRUBWCXKZOGHJ-QGZVFWFLSA-N 2 2 390.325 3.872 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC(F)F)cc1F)C2 ZINC001236717188 1041853127 /nfs/dbraw/zinc/85/31/27/1041853127.db2.gz FFGHLOAPSTTXIZ-UWJYYQICSA-N 2 2 398.469 3.607 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC(F)F)cc1F)C2 ZINC001236717188 1041853136 /nfs/dbraw/zinc/85/31/36/1041853136.db2.gz FFGHLOAPSTTXIZ-UWJYYQICSA-N 2 2 398.469 3.607 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OC(F)F)cc1F)C2 ZINC001236717188 1041853142 /nfs/dbraw/zinc/85/31/42/1041853142.db2.gz FFGHLOAPSTTXIZ-UWJYYQICSA-N 2 2 398.469 3.607 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OC(F)F)cc1F)C2 ZINC001236717188 1041853148 /nfs/dbraw/zinc/85/31/48/1041853148.db2.gz FFGHLOAPSTTXIZ-UWJYYQICSA-N 2 2 398.469 3.607 20 0 GHADLP COc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)n1 ZINC001236908993 1041951753 /nfs/dbraw/zinc/95/17/53/1041951753.db2.gz LMDSGIOJXISFAM-KRWDZBQOSA-N 2 2 398.894 3.973 20 0 GHADLP COc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)n1 ZINC001236908993 1041951757 /nfs/dbraw/zinc/95/17/57/1041951757.db2.gz LMDSGIOJXISFAM-KRWDZBQOSA-N 2 2 398.894 3.973 20 0 GHADLP CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)CC[C@H]21 ZINC001236916474 1041956662 /nfs/dbraw/zinc/95/66/62/1041956662.db2.gz DOMNOMCXRXLQCJ-YLJYHZDGSA-N 2 2 386.927 3.605 20 0 GHADLP CC(C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)CC[C@H]21 ZINC001236916474 1041956664 /nfs/dbraw/zinc/95/66/64/1041956664.db2.gz DOMNOMCXRXLQCJ-YLJYHZDGSA-N 2 2 386.927 3.605 20 0 GHADLP COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236917287 1041957001 /nfs/dbraw/zinc/95/70/01/1041957001.db2.gz JOEULDBYPFEOAK-VQTJNVASSA-N 2 2 375.900 3.543 20 0 GHADLP COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236917287 1041957002 /nfs/dbraw/zinc/95/70/02/1041957002.db2.gz JOEULDBYPFEOAK-VQTJNVASSA-N 2 2 375.900 3.543 20 0 GHADLP O=C(C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1)N1CCCCC1 ZINC001236922186 1041960130 /nfs/dbraw/zinc/96/01/30/1041960130.db2.gz OGJLOSCKSARMDM-UHFFFAOYSA-N 2 2 386.927 3.750 20 0 GHADLP C[N@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)Cc1ncccc1C(F)(F)F ZINC001236960206 1041970028 /nfs/dbraw/zinc/97/00/28/1041970028.db2.gz PXQUYMWRCLSICS-UHFFFAOYSA-N 2 2 396.432 3.623 20 0 GHADLP C[N@@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)Cc1ncccc1C(F)(F)F ZINC001236960206 1041970031 /nfs/dbraw/zinc/97/00/31/1041970031.db2.gz PXQUYMWRCLSICS-UHFFFAOYSA-N 2 2 396.432 3.623 20 0 GHADLP O=c1cc(C[NH+]2CCCC2)nc2n1CCC[N@@H+](Cc1ccc(C3CCC3)cc1)C2 ZINC001237105817 1042039487 /nfs/dbraw/zinc/03/94/87/1042039487.db2.gz STOZBTPVFUADOR-UHFFFAOYSA-N 2 2 392.547 3.513 20 0 GHADLP O=c1cc(C[NH+]2CCCC2)nc2n1CCC[N@H+](Cc1ccc(C3CCC3)cc1)C2 ZINC001237105817 1042039489 /nfs/dbraw/zinc/03/94/89/1042039489.db2.gz STOZBTPVFUADOR-UHFFFAOYSA-N 2 2 392.547 3.513 20 0 GHADLP COC(=O)c1cccc2c(C[N@@H+]3Cc4ccccc4C34CC[NH2+]CC4)c[nH]c21 ZINC001237311724 1042139495 /nfs/dbraw/zinc/13/94/95/1042139495.db2.gz VENWBAPKBOUDIM-UHFFFAOYSA-N 2 2 375.472 3.549 20 0 GHADLP COC(=O)c1cccc2c(C[N@H+]3Cc4ccccc4C34CC[NH2+]CC4)c[nH]c21 ZINC001237311724 1042139497 /nfs/dbraw/zinc/13/94/97/1042139497.db2.gz VENWBAPKBOUDIM-UHFFFAOYSA-N 2 2 375.472 3.549 20 0 GHADLP Clc1ncnc2ccc(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)cc12 ZINC001237576219 1042269448 /nfs/dbraw/zinc/26/94/48/1042269448.db2.gz LETWGDNAEXOKBQ-IYBDPMFKSA-N 2 2 384.936 3.909 20 0 GHADLP Clc1ncnc2ccc(C[N@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)cc12 ZINC001237576219 1042269451 /nfs/dbraw/zinc/26/94/51/1042269451.db2.gz LETWGDNAEXOKBQ-IYBDPMFKSA-N 2 2 384.936 3.909 20 0 GHADLP Clc1ncnc2ccc(C[NH+]3C[C@@H]4C[N@H+](Cc5cccs5)C[C@@H]4C3)cc12 ZINC001237576219 1042269455 /nfs/dbraw/zinc/26/94/55/1042269455.db2.gz LETWGDNAEXOKBQ-IYBDPMFKSA-N 2 2 384.936 3.909 20 0 GHADLP Clc1ncnc2ccc(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccs5)C[C@@H]4C3)cc12 ZINC001237576219 1042269456 /nfs/dbraw/zinc/26/94/56/1042269456.db2.gz LETWGDNAEXOKBQ-IYBDPMFKSA-N 2 2 384.936 3.909 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2c[nH]c3ncc(Br)nc23)C2CCCC2)CC1 ZINC001237857280 1042396749 /nfs/dbraw/zinc/39/67/49/1042396749.db2.gz JGWJWYRPWRYMJS-UHFFFAOYSA-N 2 2 392.345 3.559 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2c[nH]c3ncc(Br)nc23)C2CCCC2)CC1 ZINC001237857280 1042396753 /nfs/dbraw/zinc/39/67/53/1042396753.db2.gz JGWJWYRPWRYMJS-UHFFFAOYSA-N 2 2 392.345 3.559 20 0 GHADLP Fc1cc2[nH]cc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)c2cc1Br ZINC001237926451 1042424869 /nfs/dbraw/zinc/42/48/69/1042424869.db2.gz MKLUDTPNKLPHMF-UHFFFAOYSA-N 2 2 389.272 3.787 20 0 GHADLP Brc1ncsc1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001238035367 1042468181 /nfs/dbraw/zinc/46/81/81/1042468181.db2.gz LJWJWWVSSJBZHQ-UHFFFAOYSA-N 2 2 396.354 3.987 20 0 GHADLP Brc1ncsc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001238035367 1042468183 /nfs/dbraw/zinc/46/81/83/1042468183.db2.gz LJWJWWVSSJBZHQ-UHFFFAOYSA-N 2 2 396.354 3.987 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(F)c(C4CC4)c3)CC[C@@H]21 ZINC001238502116 1042621385 /nfs/dbraw/zinc/62/13/85/1042621385.db2.gz MGGNVYQUVRKUAF-QTEQDKRBSA-N 2 2 397.542 3.668 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(F)c(C4CC4)c3)CC[C@@H]21 ZINC001238502116 1042621386 /nfs/dbraw/zinc/62/13/86/1042621386.db2.gz MGGNVYQUVRKUAF-QTEQDKRBSA-N 2 2 397.542 3.668 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccc(F)c(C4CC4)c3)CC[C@@H]21 ZINC001238502116 1042621390 /nfs/dbraw/zinc/62/13/90/1042621390.db2.gz MGGNVYQUVRKUAF-QTEQDKRBSA-N 2 2 397.542 3.668 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccc(F)c(C4CC4)c3)CC[C@@H]21 ZINC001238502116 1042621391 /nfs/dbraw/zinc/62/13/91/1042621391.db2.gz MGGNVYQUVRKUAF-QTEQDKRBSA-N 2 2 397.542 3.668 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(F)c(-c4ccncc4)c3)CC2)c1 ZINC001238560261 1042640241 /nfs/dbraw/zinc/64/02/41/1042640241.db2.gz PEINWWIQLGNQMD-UHFFFAOYSA-N 2 2 378.451 3.614 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)cnc1C1CC1 ZINC001238621764 1042661950 /nfs/dbraw/zinc/66/19/50/1042661950.db2.gz LFLUJYMAWMTIEH-UHFFFAOYSA-N 2 2 378.520 3.534 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(C(=O)NCc4ccccc4)cc3)c2)C1 ZINC001239909758 1042861018 /nfs/dbraw/zinc/86/10/18/1042861018.db2.gz AAHNKLBBQULJRK-XMMPIXPASA-N 2 2 385.511 3.817 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(C(=O)NCc4ccccc4)cc3)c2)C1 ZINC001239909758 1042861025 /nfs/dbraw/zinc/86/10/25/1042861025.db2.gz AAHNKLBBQULJRK-XMMPIXPASA-N 2 2 385.511 3.817 20 0 GHADLP CC1CCN(C(=O)c2cccc(-c3cccc(C[N@@H+]4CC[C@@H]([NH3+])C4)c3)c2)CC1 ZINC001240110025 1042891823 /nfs/dbraw/zinc/89/18/23/1042891823.db2.gz OUROQUGXGNSWIL-HSZRJFAPSA-N 2 2 377.532 3.759 20 0 GHADLP CC1CCN(C(=O)c2cccc(-c3cccc(C[N@H+]4CC[C@@H]([NH3+])C4)c3)c2)CC1 ZINC001240110025 1042891828 /nfs/dbraw/zinc/89/18/28/1042891828.db2.gz OUROQUGXGNSWIL-HSZRJFAPSA-N 2 2 377.532 3.759 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001256488685 1043425263 /nfs/dbraw/zinc/42/52/63/1043425263.db2.gz LETJBJOKHIKNRK-FGTMMUONSA-N 2 2 375.513 3.631 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001256488685 1043425269 /nfs/dbraw/zinc/42/52/69/1043425269.db2.gz LETJBJOKHIKNRK-FGTMMUONSA-N 2 2 375.513 3.631 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(O)c1 ZINC001256529547 1043457762 /nfs/dbraw/zinc/45/77/62/1043457762.db2.gz VHMCYNHODCIQHH-AGHHOFFYSA-N 2 2 382.504 3.639 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(O)c1 ZINC001256529547 1043457772 /nfs/dbraw/zinc/45/77/72/1043457772.db2.gz VHMCYNHODCIQHH-AGHHOFFYSA-N 2 2 382.504 3.639 20 0 GHADLP C[C@H]1C[C@@H](N2CC[NH+](Cc3ccc(F)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256539906 1043487419 /nfs/dbraw/zinc/48/74/19/1043487419.db2.gz YUMAVXDCHQRZNA-RDPSFJRHSA-N 2 2 381.539 3.996 20 0 GHADLP C[C@H]1C[C@@H](N2CC[NH+](Cc3ccc(F)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256539906 1043487425 /nfs/dbraw/zinc/48/74/25/1043487425.db2.gz YUMAVXDCHQRZNA-RDPSFJRHSA-N 2 2 381.539 3.996 20 0 GHADLP Cc1noc([C@@H]2C[C@@H]3CC[NH+]([C@H]4CC[N@H+](Cc5ccccc5)[C@@H](C)C4)C[C@H]3O2)n1 ZINC001256544677 1043499528 /nfs/dbraw/zinc/49/95/28/1043499528.db2.gz NNWYXEWKZCOYJR-ADNIJMRFSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@@H]2C[C@@H]3CC[NH+]([C@H]4CC[N@@H+](Cc5ccccc5)[C@@H](C)C4)C[C@H]3O2)n1 ZINC001256544677 1043499539 /nfs/dbraw/zinc/49/95/39/1043499539.db2.gz NNWYXEWKZCOYJR-ADNIJMRFSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@@H]2C[C@@H]3CC[N@@H+]([C@H]4CC[NH+](Cc5ccccc5)[C@@H](C)C4)C[C@H]3O2)n1 ZINC001256544677 1043499558 /nfs/dbraw/zinc/49/95/58/1043499558.db2.gz NNWYXEWKZCOYJR-ADNIJMRFSA-N 2 2 396.535 3.583 20 0 GHADLP Cc1noc([C@@H]2C[C@@H]3CC[N@H+]([C@H]4CC[NH+](Cc5ccccc5)[C@@H](C)C4)C[C@H]3O2)n1 ZINC001256544677 1043499568 /nfs/dbraw/zinc/49/95/68/1043499568.db2.gz NNWYXEWKZCOYJR-ADNIJMRFSA-N 2 2 396.535 3.583 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256552748 1043519222 /nfs/dbraw/zinc/51/92/22/1043519222.db2.gz CQTSIYCPZQMGEH-BAGYTPMASA-N 2 2 395.547 3.987 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256552748 1043519230 /nfs/dbraw/zinc/51/92/30/1043519230.db2.gz CQTSIYCPZQMGEH-BAGYTPMASA-N 2 2 395.547 3.987 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256552748 1043519234 /nfs/dbraw/zinc/51/92/34/1043519234.db2.gz CQTSIYCPZQMGEH-BAGYTPMASA-N 2 2 395.547 3.987 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256552748 1043519243 /nfs/dbraw/zinc/51/92/43/1043519243.db2.gz CQTSIYCPZQMGEH-BAGYTPMASA-N 2 2 395.547 3.987 20 0 GHADLP C[C@@H]1C[C@@H](N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256553610 1043521086 /nfs/dbraw/zinc/52/10/86/1043521086.db2.gz HIGCBSHIZLWTCK-GIVPXCGWSA-N 2 2 377.523 3.845 20 0 GHADLP C[C@@H]1C[C@@H](N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256553610 1043521096 /nfs/dbraw/zinc/52/10/96/1043521096.db2.gz HIGCBSHIZLWTCK-GIVPXCGWSA-N 2 2 377.523 3.845 20 0 GHADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)Cc2ccccc21 ZINC001256559251 1043533030 /nfs/dbraw/zinc/53/30/30/1043533030.db2.gz KATCNIMQCZNQHW-RZFNWQHOSA-N 2 2 378.516 3.812 20 0 GHADLP COC(=O)[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)Cc2ccccc21 ZINC001256559251 1043533033 /nfs/dbraw/zinc/53/30/33/1043533033.db2.gz KATCNIMQCZNQHW-RZFNWQHOSA-N 2 2 378.516 3.812 20 0 GHADLP COC(=O)[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)Cc2ccccc21 ZINC001256559251 1043533045 /nfs/dbraw/zinc/53/30/45/1043533045.db2.gz KATCNIMQCZNQHW-RZFNWQHOSA-N 2 2 378.516 3.812 20 0 GHADLP COC(=O)[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)Cc2ccccc21 ZINC001256559251 1043533054 /nfs/dbraw/zinc/53/30/54/1043533054.db2.gz KATCNIMQCZNQHW-RZFNWQHOSA-N 2 2 378.516 3.812 20 0 GHADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CC1 ZINC001256572825 1043546334 /nfs/dbraw/zinc/54/63/34/1043546334.db2.gz YPAFOEGXRXPAMP-WMZHIEFXSA-N 2 2 387.568 3.594 20 0 GHADLP CC(C)(C)[NH+]1CCC([N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CC1 ZINC001256572825 1043546343 /nfs/dbraw/zinc/54/63/43/1043546343.db2.gz YPAFOEGXRXPAMP-WMZHIEFXSA-N 2 2 387.568 3.594 20 0 GHADLP O=C1c2ccccc2CN1[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256612553 1043575761 /nfs/dbraw/zinc/57/57/61/1043575761.db2.gz MGDSSIXNCWBZDV-HSZRJFAPSA-N 2 2 389.543 3.771 20 0 GHADLP O=C1c2ccccc2CN1[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256612553 1043575772 /nfs/dbraw/zinc/57/57/72/1043575772.db2.gz MGDSSIXNCWBZDV-HSZRJFAPSA-N 2 2 389.543 3.771 20 0 GHADLP CCC[C@H](COC)[N@H+](CCC(=O)OCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256613675 1043576832 /nfs/dbraw/zinc/57/68/32/1043576832.db2.gz SDNVDCCCUAGBAY-JOCHJYFZSA-N 2 2 390.568 3.721 20 0 GHADLP CCC[C@H](COC)[N@@H+](CCC(=O)OCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256613675 1043576839 /nfs/dbraw/zinc/57/68/39/1043576839.db2.gz SDNVDCCCUAGBAY-JOCHJYFZSA-N 2 2 390.568 3.721 20 0 GHADLP O=C(N[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)c1cccc(F)c1 ZINC001256612931 1043577261 /nfs/dbraw/zinc/57/72/61/1043577261.db2.gz SERYEOVNWGHXQY-JOCHJYFZSA-N 2 2 395.522 3.685 20 0 GHADLP O=C(N[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)c1cccc(F)c1 ZINC001256612931 1043577265 /nfs/dbraw/zinc/57/72/65/1043577265.db2.gz SERYEOVNWGHXQY-JOCHJYFZSA-N 2 2 395.522 3.685 20 0 GHADLP [NH3+]CC[N@H+](Cc1ccccc1)C1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001256878632 1043716902 /nfs/dbraw/zinc/71/69/02/1043716902.db2.gz ZZSYUEAOEKPHLV-UHFFFAOYSA-N 2 2 378.442 3.530 20 0 GHADLP [NH3+]CC[N@@H+](Cc1ccccc1)C1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001256878632 1043716917 /nfs/dbraw/zinc/71/69/17/1043716917.db2.gz ZZSYUEAOEKPHLV-UHFFFAOYSA-N 2 2 378.442 3.530 20 0 GHADLP COC(=O)CC1CCC([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001256989241 1043788393 /nfs/dbraw/zinc/78/83/93/1043788393.db2.gz AZVRPSKUOMQVRG-UHFFFAOYSA-N 2 2 376.516 3.844 20 0 GHADLP COC(=O)CC1CCC([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001256989241 1043788406 /nfs/dbraw/zinc/78/84/06/1043788406.db2.gz AZVRPSKUOMQVRG-UHFFFAOYSA-N 2 2 376.516 3.844 20 0 GHADLP CC(C)[NH+]1CCC([NH2+]C2(c3ccccc3Br)CCOCC2)CC1 ZINC001257212514 1043938888 /nfs/dbraw/zinc/93/88/88/1043938888.db2.gz XFBZTEOICWHDFF-UHFFFAOYSA-N 2 2 381.358 3.917 20 0 GHADLP CCCCOC(=O)CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001257390074 1043980083 /nfs/dbraw/zinc/98/00/83/1043980083.db2.gz XICGDDHEJMHOOD-SFHVURJKSA-N 2 2 376.541 3.761 20 0 GHADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH+]ccc2Nc2ccccc2)C1 ZINC001293349210 1044128934 /nfs/dbraw/zinc/12/89/34/1044128934.db2.gz ATEGGAKFTXVGSG-GOSISDBHSA-N 2 2 380.536 3.878 20 0 GHADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c[nH+]ccc2Nc2ccccc2)C1 ZINC001293349210 1044128937 /nfs/dbraw/zinc/12/89/37/1044128937.db2.gz ATEGGAKFTXVGSG-GOSISDBHSA-N 2 2 380.536 3.878 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@@H]21 ZINC001257816157 1044197650 /nfs/dbraw/zinc/19/76/50/1044197650.db2.gz QMZQUOHFKNSRCY-NXWNEQKCSA-N 2 2 377.573 3.582 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@@H]21 ZINC001257816157 1044197655 /nfs/dbraw/zinc/19/76/55/1044197655.db2.gz QMZQUOHFKNSRCY-NXWNEQKCSA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@@H]21 ZINC001257816157 1044197664 /nfs/dbraw/zinc/19/76/64/1044197664.db2.gz QMZQUOHFKNSRCY-NXWNEQKCSA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@@H]21 ZINC001257816157 1044197669 /nfs/dbraw/zinc/19/76/69/1044197669.db2.gz QMZQUOHFKNSRCY-NXWNEQKCSA-N 2 2 377.573 3.582 20 0 GHADLP c1ccc(COC2CCC([NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)CC2)cc1 ZINC001257831019 1044207694 /nfs/dbraw/zinc/20/76/94/1044207694.db2.gz OTPKRVOOWHGECO-HHLXFHKQSA-N 2 2 391.559 3.973 20 0 GHADLP COc1ccccc1CC1([NH3+])CC[NH+]([C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257956614 1044272372 /nfs/dbraw/zinc/27/23/72/1044272372.db2.gz QOKPRROXKFZRCB-IBGZPJMESA-N 2 2 386.923 3.688 20 0 GHADLP COc1ccc(CC2([NH3+])CC[NH+]([C@@H]3COc4ccc(Cl)cc4C3)CC2)cc1 ZINC001257957359 1044274283 /nfs/dbraw/zinc/27/42/83/1044274283.db2.gz YWQMBNSXDMORDC-IBGZPJMESA-N 2 2 386.923 3.688 20 0 GHADLP C[C@@H]1C[N@@H+](CCc2nnc([C@@H](c3ccccc3)[NH+]3CCCCCC3)o2)C[C@H](C)O1 ZINC001258080519 1044386601 /nfs/dbraw/zinc/38/66/01/1044386601.db2.gz JPULWLNRMWKCJU-XQBPLPMBSA-N 2 2 398.551 3.687 20 0 GHADLP C[C@@H]1C[N@H+](CCc2nnc([C@@H](c3ccccc3)[NH+]3CCCCCC3)o2)C[C@H](C)O1 ZINC001258080519 1044386614 /nfs/dbraw/zinc/38/66/14/1044386614.db2.gz JPULWLNRMWKCJU-XQBPLPMBSA-N 2 2 398.551 3.687 20 0 GHADLP OC1(c2ccccc2F)CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258146012 1044433568 /nfs/dbraw/zinc/43/35/68/1044433568.db2.gz OYAUVGBQHWDLBB-UHFFFAOYSA-N 2 2 382.523 3.816 20 0 GHADLP Fc1cccc(C[NH+]2CCN(C3CC[NH+](CCc4ccccc4)CC3)CC2)c1 ZINC001258146261 1044434378 /nfs/dbraw/zinc/43/43/78/1044434378.db2.gz VCLYUFOCGMIKBC-UHFFFAOYSA-N 2 2 381.539 3.650 20 0 GHADLP CCCCC(CCCC)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001258389137 1044530736 /nfs/dbraw/zinc/53/07/36/1044530736.db2.gz OGLJZJMYMMOAGE-UHFFFAOYSA-N 3 2 392.676 3.912 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCCc3ccc(C4CC4)cc3)CC2)CC1 ZINC001299520670 1044675922 /nfs/dbraw/zinc/67/59/22/1044675922.db2.gz MIMFHPUWXUOYCI-UHFFFAOYSA-N 2 2 397.607 3.905 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCCc3ccc(C4CC4)cc3)CC2)CC1 ZINC001299520670 1044675931 /nfs/dbraw/zinc/67/59/31/1044675931.db2.gz MIMFHPUWXUOYCI-UHFFFAOYSA-N 2 2 397.607 3.905 20 0 GHADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001258680307 1044707330 /nfs/dbraw/zinc/70/73/30/1044707330.db2.gz XXKYYCLGZRDWTD-GKCIPKSASA-N 2 2 378.347 3.726 20 0 GHADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001258684280 1044712673 /nfs/dbraw/zinc/71/26/73/1044712673.db2.gz QXAIXPSLDXSJPM-AWEZNQCLSA-N 2 2 398.378 3.586 20 0 GHADLP CCc1ccc([C@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[NH+](CC)CC)cc1 ZINC001298681139 1045917016 /nfs/dbraw/zinc/91/70/16/1045917016.db2.gz FPHCRJZXYJDPKC-YADHBBJMSA-N 2 2 397.567 3.552 20 0 GHADLP CCc1ccc([C@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[NH+](CC)CC)cc1 ZINC001298681139 1045917019 /nfs/dbraw/zinc/91/70/19/1045917019.db2.gz FPHCRJZXYJDPKC-YADHBBJMSA-N 2 2 397.567 3.552 20 0 GHADLP O=C(NCCn1c[nH+]cc1-c1ccccc1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC001301781960 1046699969 /nfs/dbraw/zinc/69/99/69/1046699969.db2.gz HLXPSYQSMWBKLB-UHFFFAOYSA-N 2 2 383.455 3.541 20 0 GHADLP CCC(CC)(CNC(=O)N1CCn2c(C)c(C)[nH+]c2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000606688937 1047328286 /nfs/dbraw/zinc/32/82/86/1047328286.db2.gz LTMMITUHWZUEKU-SFHVURJKSA-N 2 2 397.567 3.935 20 0 GHADLP Cc1cc(C[NH+]2CC3(C2)CC[NH+](Cc2ccc(F)cc2Cl)CC3)n(C)n1 ZINC001279332932 1047771035 /nfs/dbraw/zinc/77/10/35/1047771035.db2.gz HDWQRBIXYNDVLZ-UHFFFAOYSA-N 2 2 376.907 3.619 20 0 GHADLP Clc1cncc(Cl)c1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001279389562 1047790409 /nfs/dbraw/zinc/79/04/09/1047790409.db2.gz BXHIXNNMJNEWAX-MSOLQXFVSA-N 2 2 380.323 3.836 20 0 GHADLP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3c(F)cccc3Br)(C1)CCC2 ZINC001279667044 1047907123 /nfs/dbraw/zinc/90/71/23/1047907123.db2.gz NMVODXCXCMXVBY-RBUKOAKNSA-N 2 2 398.364 3.674 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)Nc3cc(C)cc(N4CC[NH+](C(C)C)CC4)c3)ccn12 ZINC001306826916 1048917203 /nfs/dbraw/zinc/91/72/03/1048917203.db2.gz PQNZRVCILMFPER-UHFFFAOYSA-N 2 2 391.519 3.734 20 0 GHADLP Cc1cccc([C@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1 ZINC001307601828 1049440415 /nfs/dbraw/zinc/44/04/15/1049440415.db2.gz LQDFSNYVUBLZJQ-KRWDZBQOSA-N 2 2 386.565 3.973 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nccn1CC(F)(F)F ZINC001307659211 1049484185 /nfs/dbraw/zinc/48/41/85/1049484185.db2.gz QGWMEILASSHGQF-MNZLEMJZSA-N 2 2 380.458 3.692 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nccn1CC(F)(F)F ZINC001307659211 1049484189 /nfs/dbraw/zinc/48/41/89/1049484189.db2.gz QGWMEILASSHGQF-MNZLEMJZSA-N 2 2 380.458 3.692 20 0 GHADLP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001307704598 1049521672 /nfs/dbraw/zinc/52/16/72/1049521672.db2.gz DAKQEFOGEREQIR-VWLOTQADSA-N 2 2 395.591 3.765 20 0 GHADLP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)C2=O)cc1 ZINC001307707458 1049522443 /nfs/dbraw/zinc/52/24/43/1049522443.db2.gz PIYTVKWHQIDVKF-ZTCOLXNVSA-N 2 2 391.559 3.991 20 0 GHADLP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)C2=O)cc1 ZINC001307707458 1049522452 /nfs/dbraw/zinc/52/24/52/1049522452.db2.gz PIYTVKWHQIDVKF-ZTCOLXNVSA-N 2 2 391.559 3.991 20 0 GHADLP c1ccc(COC2CC([N@@H+]3CCC[NH+](Cc4ccccc4)CCOCC3)C2)cc1 ZINC001308106511 1049852170 /nfs/dbraw/zinc/85/21/70/1049852170.db2.gz BCDCTTIMRUVANJ-UHFFFAOYSA-N 2 2 394.559 3.959 20 0 GHADLP c1ccc(COC2CC([N@H+]3CCC[NH+](Cc4ccccc4)CCOCC3)C2)cc1 ZINC001308106511 1049852173 /nfs/dbraw/zinc/85/21/73/1049852173.db2.gz BCDCTTIMRUVANJ-UHFFFAOYSA-N 2 2 394.559 3.959 20 0 GHADLP c1ccc(COC2CC([NH+]3CCC[N@H+](Cc4ccccc4)CCOCC3)C2)cc1 ZINC001308106511 1049852183 /nfs/dbraw/zinc/85/21/83/1049852183.db2.gz BCDCTTIMRUVANJ-UHFFFAOYSA-N 2 2 394.559 3.959 20 0 GHADLP c1ccc(COC2CC([NH+]3CCC[N@@H+](Cc4ccccc4)CCOCC3)C2)cc1 ZINC001308106511 1049852191 /nfs/dbraw/zinc/85/21/91/1049852191.db2.gz BCDCTTIMRUVANJ-UHFFFAOYSA-N 2 2 394.559 3.959 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(F)c4cccnc34)CC2)c1 ZINC001308188406 1049905603 /nfs/dbraw/zinc/90/56/03/1049905603.db2.gz HTHPYTJPWRIDTF-UHFFFAOYSA-N 2 2 392.522 3.984 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)c1 ZINC001308189108 1049906678 /nfs/dbraw/zinc/90/66/78/1049906678.db2.gz REMKFDDYKZSWGN-UHFFFAOYSA-N 3 2 398.639 3.894 20 0 GHADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001290803491 1049927386 /nfs/dbraw/zinc/92/73/86/1049927386.db2.gz MCAOMBJSOSPYHC-BHIFYINESA-N 2 2 392.547 3.833 20 0 GHADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001290803491 1049927391 /nfs/dbraw/zinc/92/73/91/1049927391.db2.gz MCAOMBJSOSPYHC-BHIFYINESA-N 2 2 392.547 3.833 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)cc1 ZINC001308461807 1049981781 /nfs/dbraw/zinc/98/17/81/1049981781.db2.gz HMZRUYRGGDKKQT-MRXNPFEDSA-N 2 2 377.330 3.802 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)cc1 ZINC001308461807 1049981783 /nfs/dbraw/zinc/98/17/83/1049981783.db2.gz HMZRUYRGGDKKQT-MRXNPFEDSA-N 2 2 377.330 3.802 20 0 GHADLP Brc1cccc2c1C[C@@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CO2 ZINC001308499347 1049991262 /nfs/dbraw/zinc/99/12/62/1049991262.db2.gz FKTFTESLMGHSNY-GFCCVEGCSA-N 2 2 390.306 3.790 20 0 GHADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001308659535 1050051038 /nfs/dbraw/zinc/05/10/38/1050051038.db2.gz XJDBEVOULOJUQL-KRWDZBQOSA-N 2 2 390.474 3.869 20 0 GHADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001308659535 1050051040 /nfs/dbraw/zinc/05/10/40/1050051040.db2.gz XJDBEVOULOJUQL-KRWDZBQOSA-N 2 2 390.474 3.869 20 0 GHADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCN(c4c(F)cccc4F)C3=O)CC2)C1 ZINC001308921676 1050173259 /nfs/dbraw/zinc/17/32/59/1050173259.db2.gz GDRYMVYJWMHAMN-OXFYSEKESA-N 2 2 391.506 3.703 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC001327646854 1050242521 /nfs/dbraw/zinc/24/25/21/1050242521.db2.gz JGZPGQUJATXZCX-CQSZACIVSA-N 2 2 393.890 3.713 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC001327646854 1050242529 /nfs/dbraw/zinc/24/25/29/1050242529.db2.gz JGZPGQUJATXZCX-CQSZACIVSA-N 2 2 393.890 3.713 20 0 GHADLP C[N@H+](Cc1nc(-c2ccc(OC3CC[NH2+]CC3)c(F)c2)no1)Cc1ccccc1 ZINC001328047941 1050373403 /nfs/dbraw/zinc/37/34/03/1050373403.db2.gz VCINEHAAXIBZRC-UHFFFAOYSA-N 2 2 396.466 3.639 20 0 GHADLP C[N@@H+](Cc1nc(-c2ccc(OC3CC[NH2+]CC3)c(F)c2)no1)Cc1ccccc1 ZINC001328047941 1050373425 /nfs/dbraw/zinc/37/34/25/1050373425.db2.gz VCINEHAAXIBZRC-UHFFFAOYSA-N 2 2 396.466 3.639 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001310675162 1051524282 /nfs/dbraw/zinc/52/42/82/1051524282.db2.gz PEMWYKHELINWFD-HXUWFJFHSA-N 2 2 377.492 3.901 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001310675162 1051524293 /nfs/dbraw/zinc/52/42/93/1051524293.db2.gz PEMWYKHELINWFD-HXUWFJFHSA-N 2 2 377.492 3.901 20 0 GHADLP CC(C)[C@H](CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC001311391015 1052081606 /nfs/dbraw/zinc/08/16/06/1052081606.db2.gz CEJOUUKWNKNNJY-YADHBBJMSA-N 2 2 397.567 3.680 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+]CCC(=O)N(C)c2ccccc2)CCOCC1)c1ccccc1 ZINC001335379850 1052087001 /nfs/dbraw/zinc/08/70/01/1052087001.db2.gz DEFDUKGVROWSIX-FQEVSTJZSA-N 2 2 395.547 3.529 20 0 GHADLP Cc1cccc(CCCn2c(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)nnc2C(C)(C)C)[nH+]1 ZINC001492527364 1052158314 /nfs/dbraw/zinc/15/83/14/1052158314.db2.gz GCFQLMYCQVZRSA-QUCCMNQESA-N 2 2 396.583 3.585 20 0 GHADLP Cc1cccc(CCCn2c(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)nnc2C(C)(C)C)[nH+]1 ZINC001492527364 1052158325 /nfs/dbraw/zinc/15/83/25/1052158325.db2.gz GCFQLMYCQVZRSA-QUCCMNQESA-N 2 2 396.583 3.585 20 0 GHADLP CN(C(=O)N[C@@H]1CCCC2(CC2)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001313342827 1053025365 /nfs/dbraw/zinc/02/53/65/1053025365.db2.gz OWHJVYPBROUCFF-NRSPTQNISA-N 2 2 390.616 3.688 20 0 GHADLP CN(C(=O)N[C@@H]1CCCC2(CC2)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001313342827 1053025369 /nfs/dbraw/zinc/02/53/69/1053025369.db2.gz OWHJVYPBROUCFF-NRSPTQNISA-N 2 2 390.616 3.688 20 0 GHADLP C[NH+](C)Cc1ccc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)cc1 ZINC001318268432 1054536045 /nfs/dbraw/zinc/53/60/45/1054536045.db2.gz HNGXMLUIHFGSFW-UHFFFAOYSA-N 2 2 391.519 3.863 20 0 GHADLP Cc1cc(C)n(-c2ccc(C(=O)Nc3c[nH+]ccc3-n3cc[nH+]c3C)cc2F)n1 ZINC001318491876 1054676051 /nfs/dbraw/zinc/67/60/51/1054676051.db2.gz UQRFCHYGVZYXEL-UHFFFAOYSA-N 2 2 390.422 3.770 20 0 GHADLP C[C@@H](C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1)n1cc[nH+]c1 ZINC001319091462 1055032506 /nfs/dbraw/zinc/03/25/06/1055032506.db2.gz YQFQDUVSTBERPG-FQEVSTJZSA-N 2 2 376.504 3.605 20 0 GHADLP C[C@@H](C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1)n1cc[nH+]c1 ZINC001319091462 1055032519 /nfs/dbraw/zinc/03/25/19/1055032519.db2.gz YQFQDUVSTBERPG-FQEVSTJZSA-N 2 2 376.504 3.605 20 0 GHADLP COC[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC001322702572 1056806364 /nfs/dbraw/zinc/80/63/64/1056806364.db2.gz KCZINDQJTPMMOM-LJQANCHMSA-N 2 2 391.918 3.708 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001322745412 1056831885 /nfs/dbraw/zinc/83/18/85/1056831885.db2.gz OSKOQKLPRZDURX-OALUTQOASA-N 2 2 390.572 3.712 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001322745412 1056831889 /nfs/dbraw/zinc/83/18/89/1056831889.db2.gz OSKOQKLPRZDURX-OALUTQOASA-N 2 2 390.572 3.712 20 0 GHADLP C[C@H]([NH2+]Cc1cc(OCC(F)F)ccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001323605303 1056990707 /nfs/dbraw/zinc/99/07/07/1056990707.db2.gz JJQIIKCJHXJNHZ-WMZOPIPTSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@H]([NH2+]Cc1cc(OCC(F)F)ccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001323605303 1056990708 /nfs/dbraw/zinc/99/07/08/1056990708.db2.gz JJQIIKCJHXJNHZ-WMZOPIPTSA-N 2 2 375.463 3.726 20 0 GHADLP CC(C)c1cccc(NC(=[NH2+])NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000849061847 1057571913 /nfs/dbraw/zinc/57/19/13/1057571913.db2.gz VSDKPEAVRCJWRM-IBGZPJMESA-N 2 2 379.552 3.957 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(F)(F)c1ccc(C(C)(C)C)cc1 ZINC001443419887 1059124905 /nfs/dbraw/zinc/12/49/05/1059124905.db2.gz AJSODUOWMZHTJQ-UHFFFAOYSA-N 2 2 395.538 3.560 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(F)(F)c1ccc(C(C)(C)C)cc1 ZINC001443419887 1059124916 /nfs/dbraw/zinc/12/49/16/1059124916.db2.gz AJSODUOWMZHTJQ-UHFFFAOYSA-N 2 2 395.538 3.560 20 0 GHADLP CCOc1ccccc1[C@H]([NH3+])CC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001341977973 1060979495 /nfs/dbraw/zinc/97/94/95/1060979495.db2.gz MDLLMHCVJDWGOO-PKOBYXMFSA-N 2 2 398.551 3.833 20 0 GHADLP Cn1c[nH+]cc1C1CCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC001347364427 1062325968 /nfs/dbraw/zinc/32/59/68/1062325968.db2.gz RIQNIDQAQQWTAN-NRFANRHFSA-N 2 2 395.551 3.536 20 0 GHADLP Cn1cc[nH+]c1CCC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC001347395317 1062350348 /nfs/dbraw/zinc/35/03/48/1062350348.db2.gz OWYSEHORTATXEU-UHFFFAOYSA-N 2 2 397.350 3.640 20 0 GHADLP CCC[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC001435672007 1062834821 /nfs/dbraw/zinc/83/48/21/1062834821.db2.gz FQROHACPTLIBQE-OAQYLSRUSA-N 2 2 376.504 3.769 20 0 GHADLP CCC[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC001435672007 1062834850 /nfs/dbraw/zinc/83/48/50/1062834850.db2.gz FQROHACPTLIBQE-OAQYLSRUSA-N 2 2 376.504 3.769 20 0 GHADLP CC1=C(C)C[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001458871786 1063952759 /nfs/dbraw/zinc/95/27/59/1063952759.db2.gz DBXJYSSKURZSEY-CEMLEFRQSA-N 2 2 375.601 3.919 20 0 GHADLP CC1=C(C)C[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001458871786 1063952761 /nfs/dbraw/zinc/95/27/61/1063952761.db2.gz DBXJYSSKURZSEY-CEMLEFRQSA-N 2 2 375.601 3.919 20 0 GHADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001459603410 1064138913 /nfs/dbraw/zinc/13/89/13/1064138913.db2.gz RCJCNZFKPIINBZ-ZJSXRUAMSA-N 2 2 385.596 3.868 20 0 GHADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001459603410 1064138920 /nfs/dbraw/zinc/13/89/20/1064138920.db2.gz RCJCNZFKPIINBZ-ZJSXRUAMSA-N 2 2 385.596 3.868 20 0 GHADLP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001459603410 1064138924 /nfs/dbraw/zinc/13/89/24/1064138924.db2.gz RCJCNZFKPIINBZ-ZJSXRUAMSA-N 2 2 385.596 3.868 20 0 GHADLP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001459603410 1064138928 /nfs/dbraw/zinc/13/89/28/1064138928.db2.gz RCJCNZFKPIINBZ-ZJSXRUAMSA-N 2 2 385.596 3.868 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(C[NH+]3CCCC3)o2)C[C@@H](C)O1 ZINC001464268529 1064933758 /nfs/dbraw/zinc/93/37/58/1064933758.db2.gz IPORLVYTGOZPEA-QZTJIDSGSA-N 2 2 397.519 3.737 20 0 GHADLP CCN(CCC[NH+](CC)CC)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001470317005 1068678682 /nfs/dbraw/zinc/67/86/82/1068678682.db2.gz BVGTWBKUNZOMBA-UHFFFAOYSA-N 2 2 391.947 3.789 20 0 GHADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1c2ccccc2C[NH+]1C ZINC001478497172 1078894147 /nfs/dbraw/zinc/89/41/47/1078894147.db2.gz XVDBIEOPZHTVSD-PKTZIBPZSA-N 2 2 394.563 3.629 20 0 GHADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1c2ccccc2C[NH+]1C ZINC001478497172 1078894148 /nfs/dbraw/zinc/89/41/48/1078894148.db2.gz XVDBIEOPZHTVSD-PKTZIBPZSA-N 2 2 394.563 3.629 20 0 GHADLP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001478497172 1078894152 /nfs/dbraw/zinc/89/41/52/1078894152.db2.gz XVDBIEOPZHTVSD-PKTZIBPZSA-N 2 2 394.563 3.629 20 0 GHADLP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001478497172 1078894155 /nfs/dbraw/zinc/89/41/55/1078894155.db2.gz XVDBIEOPZHTVSD-PKTZIBPZSA-N 2 2 394.563 3.629 20 0 GHADLP Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](c3ccc(Cl)cc3)[NH+](C)C)C2)c1 ZINC001470713842 1072700714 /nfs/dbraw/zinc/70/07/14/1072700714.db2.gz TXNHMQOTQPVVMK-NHCUHLMSSA-N 2 2 385.939 3.642 20 0 GHADLP Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](c3ccc(Cl)cc3)[NH+](C)C)C2)c1 ZINC001470713842 1072700718 /nfs/dbraw/zinc/70/07/18/1072700718.db2.gz TXNHMQOTQPVVMK-NHCUHLMSSA-N 2 2 385.939 3.642 20 0 GHADLP Cc1cc(CNC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC001478846124 1079002005 /nfs/dbraw/zinc/00/20/05/1079002005.db2.gz BSXDVRYOYGENDP-UHFFFAOYSA-N 2 2 380.536 3.800 20 0 GHADLP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC001471180152 1072955768 /nfs/dbraw/zinc/95/57/68/1072955768.db2.gz KBKOFTUNQOWPQR-JOCHJYFZSA-N 2 2 397.567 3.778 20 0 GHADLP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC001471180152 1072955770 /nfs/dbraw/zinc/95/57/70/1072955770.db2.gz KBKOFTUNQOWPQR-JOCHJYFZSA-N 2 2 397.567 3.778 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(OCC(F)(F)F)cc1 ZINC001473338349 1073926843 /nfs/dbraw/zinc/92/68/43/1073926843.db2.gz BRTHNXXCUWZKFU-VQIMIIECSA-N 2 2 396.453 3.771 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(OCC(F)(F)F)cc1 ZINC001473338349 1073926844 /nfs/dbraw/zinc/92/68/44/1073926844.db2.gz BRTHNXXCUWZKFU-VQIMIIECSA-N 2 2 396.453 3.771 20 0 GHADLP CC[C@](C)(O)C[N@@H+](Cc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001473395176 1073947528 /nfs/dbraw/zinc/94/75/28/1073947528.db2.gz JRQTZPVHKGGCIY-RPBOFIJWSA-N 2 2 396.575 3.941 20 0 GHADLP CC[C@](C)(O)C[N@H+](Cc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001473395176 1073947533 /nfs/dbraw/zinc/94/75/33/1073947533.db2.gz JRQTZPVHKGGCIY-RPBOFIJWSA-N 2 2 396.575 3.941 20 0 GHADLP CC[C@](C)(O)C[NH+](Cc1ccccc1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001473395176 1073947534 /nfs/dbraw/zinc/94/75/34/1073947534.db2.gz JRQTZPVHKGGCIY-RPBOFIJWSA-N 2 2 396.575 3.941 20 0 GHADLP CC[C@](C)(O)C[NH+](Cc1ccccc1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001473395176 1073947538 /nfs/dbraw/zinc/94/75/38/1073947538.db2.gz JRQTZPVHKGGCIY-RPBOFIJWSA-N 2 2 396.575 3.941 20 0 GHADLP CC[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC001479349663 1079186431 /nfs/dbraw/zinc/18/64/31/1079186431.db2.gz YZBYUOZPMGNYEM-QHCPKHFHSA-N 2 2 396.579 3.958 20 0 GHADLP CC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC001479349663 1079186432 /nfs/dbraw/zinc/18/64/32/1079186432.db2.gz YZBYUOZPMGNYEM-QHCPKHFHSA-N 2 2 396.579 3.958 20 0 GHADLP CCC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001473648213 1074066620 /nfs/dbraw/zinc/06/66/20/1074066620.db2.gz DQCYCQPYGIZIEK-UGKGYDQZSA-N 2 2 397.538 3.817 20 0 GHADLP CCC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001473648213 1074066624 /nfs/dbraw/zinc/06/66/24/1074066624.db2.gz DQCYCQPYGIZIEK-UGKGYDQZSA-N 2 2 397.538 3.817 20 0 GHADLP CCC[NH+](Cc1ccccc1F)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001473648213 1074066628 /nfs/dbraw/zinc/06/66/28/1074066628.db2.gz DQCYCQPYGIZIEK-UGKGYDQZSA-N 2 2 397.538 3.817 20 0 GHADLP CCC[NH+](Cc1ccccc1F)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001473648213 1074066632 /nfs/dbraw/zinc/06/66/32/1074066632.db2.gz DQCYCQPYGIZIEK-UGKGYDQZSA-N 2 2 397.538 3.817 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC001479516594 1079222333 /nfs/dbraw/zinc/22/23/33/1079222333.db2.gz YMSOXPHKPNIYQT-LEWJYISDSA-N 2 2 392.563 3.580 20 0 GHADLP COc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)c(Br)c1 ZINC001473810451 1074155542 /nfs/dbraw/zinc/15/55/42/1074155542.db2.gz YPJXUANQMSBXSG-CQSZACIVSA-N 2 2 376.298 3.563 20 0 GHADLP COc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)c(Br)c1 ZINC001473810451 1074155554 /nfs/dbraw/zinc/15/55/54/1074155554.db2.gz YPJXUANQMSBXSG-CQSZACIVSA-N 2 2 376.298 3.563 20 0 GHADLP Cc1ccnc(-c2noc(C[N@@H+]3CCC[C@@H](c4c[nH+]cn4C(C)(C)C)C3)n2)c1 ZINC001473898056 1074195152 /nfs/dbraw/zinc/19/51/52/1074195152.db2.gz SBGOWEXJWSAQRZ-MRXNPFEDSA-N 2 2 380.496 3.771 20 0 GHADLP Cc1ccnc(-c2noc(C[N@H+]3CCC[C@@H](c4c[nH+]cn4C(C)(C)C)C3)n2)c1 ZINC001473898056 1074195157 /nfs/dbraw/zinc/19/51/57/1074195157.db2.gz SBGOWEXJWSAQRZ-MRXNPFEDSA-N 2 2 380.496 3.771 20 0 GHADLP CC(C)c1ccc(CC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001473914566 1074201539 /nfs/dbraw/zinc/20/15/39/1074201539.db2.gz MKHQDSMAEKPQBY-UHFFFAOYSA-N 2 2 382.548 3.853 20 0 GHADLP c1c2ccncc2sc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001473939263 1074212048 /nfs/dbraw/zinc/21/20/48/1074212048.db2.gz SNWBRBMGVVPNPX-UHFFFAOYSA-N 2 2 394.588 3.984 20 0 GHADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC001474068427 1074253452 /nfs/dbraw/zinc/25/34/52/1074253452.db2.gz WRYCUPPYHRYWKQ-IAGOWNOFSA-N 2 2 390.421 3.582 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(F)c(C(F)(F)F)c3)[nH+]c2)C1 ZINC001474076906 1074256286 /nfs/dbraw/zinc/25/62/86/1074256286.db2.gz PKZXBHFCQLCLNX-OAHLLOKOSA-N 2 2 382.405 3.992 20 0 GHADLP O[C@]1(C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)CCc2ccccc21 ZINC001474080956 1074257658 /nfs/dbraw/zinc/25/76/58/1074257658.db2.gz KUIXSBSYOZGGLO-QFIPXVFZSA-N 2 2 397.906 3.539 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001474137059 1074273449 /nfs/dbraw/zinc/27/34/49/1074273449.db2.gz ZXAWOJDXMOPBLU-MANSERQUSA-N 2 2 379.589 3.732 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001474137059 1074273453 /nfs/dbraw/zinc/27/34/53/1074273453.db2.gz ZXAWOJDXMOPBLU-MANSERQUSA-N 2 2 379.589 3.732 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)CCCC1)c1ccccc1 ZINC000820413554 606221196 /nfs/dbraw/zinc/22/11/96/606221196.db2.gz RRDRHQNVGYBDDM-OAHLLOKOSA-N 2 2 382.537 3.681 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC000826364005 608515102 /nfs/dbraw/zinc/51/51/02/608515102.db2.gz HWNCLCQYQDNAJM-LEWJYISDSA-N 2 2 399.502 3.551 20 0 GHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC000826307607 609134180 /nfs/dbraw/zinc/13/41/80/609134180.db2.gz OYUFMMBMWAKPCT-MRXNPFEDSA-N 2 2 394.498 3.629 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000824532524 609338028 /nfs/dbraw/zinc/33/80/28/609338028.db2.gz VJTMDUNZAHQLSZ-ZIAGYGMSSA-N 2 2 377.427 3.603 20 0 GHADLP CC(C)[N@H+]1[C@@H]2CCN(c3ccc(C(C)(C)C)c[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843705 720647319 /nfs/dbraw/zinc/64/73/19/720647319.db2.gz XASVLTPMHHLWCX-HLAWJBBLSA-N 2 2 381.568 3.953 20 0 GHADLP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(C(C)(C)C)c[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843705 720647325 /nfs/dbraw/zinc/64/73/25/720647325.db2.gz XASVLTPMHHLWCX-HLAWJBBLSA-N 2 2 381.568 3.953 20 0 GHADLP CCCc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(C)[nH+]1 ZINC001164844533 720700717 /nfs/dbraw/zinc/70/07/17/720700717.db2.gz STHZMWMXXPSFTD-QFIPXVFZSA-N 2 2 394.563 3.997 20 0 GHADLP CCCc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(C)[nH+]1 ZINC001164844533 720700726 /nfs/dbraw/zinc/70/07/26/720700726.db2.gz STHZMWMXXPSFTD-QFIPXVFZSA-N 2 2 394.563 3.997 20 0 GHADLP Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC001165029050 721826684 /nfs/dbraw/zinc/82/66/84/721826684.db2.gz WRGWMABGIFVJMA-CEWLAPEOSA-N 2 2 377.536 3.794 20 0 GHADLP Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC001165029050 721826685 /nfs/dbraw/zinc/82/66/85/721826685.db2.gz WRGWMABGIFVJMA-CEWLAPEOSA-N 2 2 377.536 3.794 20 0 GHADLP C[NH+](C)CCOCc1ncn2c1CN(c1[nH+]ccc3cc(Cl)ccc31)CCC2 ZINC001164999932 722252549 /nfs/dbraw/zinc/25/25/49/722252549.db2.gz JKYLEZFNCAYYDX-UHFFFAOYSA-N 2 2 399.926 3.573 20 0 GHADLP Fc1cccc(Oc2ncccc2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655689568 837609661 /nfs/dbraw/zinc/60/96/61/837609661.db2.gz GDXLANAQQXKRBS-OAQYLSRUSA-N 2 2 385.483 3.746 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655715250 837718524 /nfs/dbraw/zinc/71/85/24/837718524.db2.gz HZWSZJXGCNRSPI-DEOSSOPVSA-N 3 2 397.563 3.645 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655715250 837718528 /nfs/dbraw/zinc/71/85/28/837718528.db2.gz HZWSZJXGCNRSPI-DEOSSOPVSA-N 3 2 397.563 3.645 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655715250 837718535 /nfs/dbraw/zinc/71/85/35/837718535.db2.gz HZWSZJXGCNRSPI-DEOSSOPVSA-N 2 2 397.563 3.645 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655715250 837718544 /nfs/dbraw/zinc/71/85/44/837718544.db2.gz HZWSZJXGCNRSPI-DEOSSOPVSA-N 2 2 397.563 3.645 20 0 GHADLP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCS2 ZINC000655717210 837727812 /nfs/dbraw/zinc/72/78/12/837727812.db2.gz YAAHSCDQNHLAHN-RDJZCZTQSA-N 2 2 397.382 3.829 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584399155 834519597 /nfs/dbraw/zinc/51/95/97/834519597.db2.gz VNTOOFRLIVYJDG-MOPGFXCFSA-N 2 2 388.874 3.649 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584399155 834519602 /nfs/dbraw/zinc/51/96/02/834519602.db2.gz VNTOOFRLIVYJDG-MOPGFXCFSA-N 2 2 388.874 3.649 20 0 GHADLP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccnc(Cl)c1 ZINC000163932716 837788279 /nfs/dbraw/zinc/78/82/79/837788279.db2.gz MPTQQQXTIDYYFO-IBGZPJMESA-N 2 2 386.971 3.984 20 0 GHADLP CCc1ccc([C@H](CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)[NH+](CC)CC)cc1 ZINC000458800977 834754619 /nfs/dbraw/zinc/75/46/19/834754619.db2.gz WJZWXCVKCUEOIZ-QFIPXVFZSA-N 2 2 397.567 3.944 20 0 GHADLP CCc1ccc([C@H](CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)[NH+](CC)CC)cc1 ZINC000458800977 834754627 /nfs/dbraw/zinc/75/46/27/834754627.db2.gz WJZWXCVKCUEOIZ-QFIPXVFZSA-N 2 2 397.567 3.944 20 0 GHADLP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000536217368 834837794 /nfs/dbraw/zinc/83/77/94/834837794.db2.gz ZQRNIVSQRHJCAA-OAQYLSRUSA-N 2 2 383.561 3.785 20 0 GHADLP O[C@H](C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1)Cc1ccccc1C(F)(F)F ZINC000579943504 837816267 /nfs/dbraw/zinc/81/62/67/837816267.db2.gz MEAHHVCRSQZQEC-SFHVURJKSA-N 2 2 375.394 3.584 20 0 GHADLP C[C@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000511298250 835086982 /nfs/dbraw/zinc/08/69/82/835086982.db2.gz SIYXKCVASUYDAN-OLMMMNRUSA-N 2 2 395.950 3.994 20 0 GHADLP C[C@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000511298250 835086993 /nfs/dbraw/zinc/08/69/93/835086993.db2.gz SIYXKCVASUYDAN-OLMMMNRUSA-N 2 2 395.950 3.994 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090141 835415303 /nfs/dbraw/zinc/41/53/03/835415303.db2.gz DUSBQKPKEKDXRV-DZGCQCFKSA-N 2 2 387.446 3.765 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090141 835415308 /nfs/dbraw/zinc/41/53/08/835415308.db2.gz DUSBQKPKEKDXRV-DZGCQCFKSA-N 2 2 387.446 3.765 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000600967843 835780141 /nfs/dbraw/zinc/78/01/41/835780141.db2.gz ZSWQGZNKHHMOAE-HBGVWJBISA-N 2 2 385.939 3.894 20 0 GHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000600967843 835780151 /nfs/dbraw/zinc/78/01/51/835780151.db2.gz ZSWQGZNKHHMOAE-HBGVWJBISA-N 2 2 385.939 3.894 20 0 GHADLP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001143454128 835805751 /nfs/dbraw/zinc/80/57/51/835805751.db2.gz BWXOZUKOYHSGPX-RTBURBONSA-N 2 2 392.469 3.701 20 0 GHADLP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001143454128 835805763 /nfs/dbraw/zinc/80/57/63/835805763.db2.gz BWXOZUKOYHSGPX-RTBURBONSA-N 2 2 392.469 3.701 20 0 GHADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001143454128 835805766 /nfs/dbraw/zinc/80/57/66/835805766.db2.gz BWXOZUKOYHSGPX-RTBURBONSA-N 2 2 392.469 3.701 20 0 GHADLP Cc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001143454128 835805778 /nfs/dbraw/zinc/80/57/78/835805778.db2.gz BWXOZUKOYHSGPX-RTBURBONSA-N 2 2 392.469 3.701 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(-c2ccncc2)c1 ZINC000151812804 835880648 /nfs/dbraw/zinc/88/06/48/835880648.db2.gz ALTCVYLJVRDDJU-KBMIEXCESA-N 2 2 387.527 3.818 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(-c2ccncc2)c1 ZINC000151812804 835880653 /nfs/dbraw/zinc/88/06/53/835880653.db2.gz ALTCVYLJVRDDJU-KBMIEXCESA-N 2 2 387.527 3.818 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC[C@H]21 ZINC000584377993 835944220 /nfs/dbraw/zinc/94/42/20/835944220.db2.gz OXPZRUAUDMOGNF-QFBILLFUSA-N 2 2 378.442 3.807 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC[C@H]21 ZINC000584377993 835944224 /nfs/dbraw/zinc/94/42/24/835944224.db2.gz OXPZRUAUDMOGNF-QFBILLFUSA-N 2 2 378.442 3.807 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC[C@H]21 ZINC000584377993 835944230 /nfs/dbraw/zinc/94/42/30/835944230.db2.gz OXPZRUAUDMOGNF-QFBILLFUSA-N 2 2 378.442 3.807 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC[C@H]21 ZINC000584377993 835944237 /nfs/dbraw/zinc/94/42/37/835944237.db2.gz OXPZRUAUDMOGNF-QFBILLFUSA-N 2 2 378.442 3.807 20 0 GHADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000081330694 835947967 /nfs/dbraw/zinc/94/79/67/835947967.db2.gz KXTULYFJFPSMAE-UHFFFAOYSA-N 2 2 376.504 3.905 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000154876273 836118907 /nfs/dbraw/zinc/11/89/07/836118907.db2.gz PABDQBUPIMUSQK-GFCCVEGCSA-N 2 2 394.409 3.651 20 0 GHADLP Cn1cc([C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c2cccc(F)c2)cn1 ZINC000180425925 836168840 /nfs/dbraw/zinc/16/88/40/836168840.db2.gz GCEAIKXLBMMARF-GBXCKJPGSA-N 2 2 392.522 3.803 20 0 GHADLP Cn1cc([C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c2cccc(F)c2)cn1 ZINC000180425925 836168845 /nfs/dbraw/zinc/16/88/45/836168845.db2.gz GCEAIKXLBMMARF-GBXCKJPGSA-N 2 2 392.522 3.803 20 0 GHADLP C[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000180463617 836175366 /nfs/dbraw/zinc/17/53/66/836175366.db2.gz LTUHVWZKFPGHNP-KKSFZXQISA-N 2 2 375.919 3.794 20 0 GHADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000180496267 836181371 /nfs/dbraw/zinc/18/13/71/836181371.db2.gz XAOJNCCMCMWNBB-IIBYNOLFSA-N 2 2 375.919 3.794 20 0 GHADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2Cl)C1 ZINC000120791970 836500881 /nfs/dbraw/zinc/50/08/81/836500881.db2.gz VBGMGEVJRUOFPL-HNNXBMFYSA-N 2 2 381.351 3.978 20 0 GHADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2Cl)C1 ZINC000120791970 836500883 /nfs/dbraw/zinc/50/08/83/836500883.db2.gz VBGMGEVJRUOFPL-HNNXBMFYSA-N 2 2 381.351 3.978 20 0 GHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000177486197 836638791 /nfs/dbraw/zinc/63/87/91/836638791.db2.gz RDJALQOWXVUVLA-GOSISDBHSA-N 2 2 383.536 3.646 20 0 GHADLP CCCN(CCC)c1cc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)nc[nH+]1 ZINC001167160774 836733710 /nfs/dbraw/zinc/73/37/10/836733710.db2.gz CLWFSSCFOZJFFN-UHFFFAOYSA-N 2 2 379.552 3.744 20 0 GHADLP CCCN(CCC)c1cc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)[nH+]cn1 ZINC001167160774 836733716 /nfs/dbraw/zinc/73/37/16/836733716.db2.gz CLWFSSCFOZJFFN-UHFFFAOYSA-N 2 2 379.552 3.744 20 0 GHADLP C[NH+](C)CCC[C@H]1C[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCO1 ZINC000668784610 836761420 /nfs/dbraw/zinc/76/14/20/836761420.db2.gz GSYHEFQWRCPHMD-KRWDZBQOSA-N 2 2 385.335 3.812 20 0 GHADLP C[NH+](C)CCC[C@H]1C[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCO1 ZINC000668784610 836761426 /nfs/dbraw/zinc/76/14/26/836761426.db2.gz GSYHEFQWRCPHMD-KRWDZBQOSA-N 2 2 385.335 3.812 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]([C@H](C)c2ccco2)C2CC2)CC1 ZINC000175686789 836946989 /nfs/dbraw/zinc/94/69/89/836946989.db2.gz MPMKQDHNJHGKRO-LJQANCHMSA-N 2 2 395.547 3.894 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]([C@H](C)c2ccco2)C2CC2)CC1 ZINC000175686789 836946994 /nfs/dbraw/zinc/94/69/94/836946994.db2.gz MPMKQDHNJHGKRO-LJQANCHMSA-N 2 2 395.547 3.894 20 0 GHADLP O[C@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CCCCC1 ZINC000510938198 844221104 /nfs/dbraw/zinc/22/11/04/844221104.db2.gz RHQKOLDACMQJTR-QGZVFWFLSA-N 2 2 396.329 3.682 20 0 GHADLP O[C@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CCCCC1 ZINC000510938198 844221111 /nfs/dbraw/zinc/22/11/11/844221111.db2.gz RHQKOLDACMQJTR-QGZVFWFLSA-N 2 2 396.329 3.682 20 0 GHADLP O[C@@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CCCCC1 ZINC000510938193 844221423 /nfs/dbraw/zinc/22/14/23/844221423.db2.gz RHQKOLDACMQJTR-KRWDZBQOSA-N 2 2 396.329 3.682 20 0 GHADLP O[C@@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CCCCC1 ZINC000510938193 844221431 /nfs/dbraw/zinc/22/14/31/844221431.db2.gz RHQKOLDACMQJTR-KRWDZBQOSA-N 2 2 396.329 3.682 20 0 GHADLP CN(C(=O)[C@H]1CCCC2(CC2)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612958551 837016904 /nfs/dbraw/zinc/01/69/04/837016904.db2.gz CLGFJGGESWIJGD-TYPHKJRUSA-N 2 2 375.601 3.752 20 0 GHADLP CN(C(=O)[C@H]1CCCC2(CC2)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612958551 837016913 /nfs/dbraw/zinc/01/69/13/837016913.db2.gz CLGFJGGESWIJGD-TYPHKJRUSA-N 2 2 375.601 3.752 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000414315670 837070967 /nfs/dbraw/zinc/07/09/67/837070967.db2.gz MYDREMWTVQCNSG-ZNLUXHQJSA-N 2 2 381.495 3.574 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000414315670 837070976 /nfs/dbraw/zinc/07/09/76/837070976.db2.gz MYDREMWTVQCNSG-ZNLUXHQJSA-N 2 2 381.495 3.574 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377763828 837940734 /nfs/dbraw/zinc/94/07/34/837940734.db2.gz QGKYGGZSXXTBSR-UIFIKXQLSA-N 2 2 389.503 3.647 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377763828 837940740 /nfs/dbraw/zinc/94/07/40/837940740.db2.gz QGKYGGZSXXTBSR-UIFIKXQLSA-N 2 2 389.503 3.647 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377763828 837940744 /nfs/dbraw/zinc/94/07/44/837940744.db2.gz QGKYGGZSXXTBSR-UIFIKXQLSA-N 2 2 389.503 3.647 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377763828 837940748 /nfs/dbraw/zinc/94/07/48/837940748.db2.gz QGKYGGZSXXTBSR-UIFIKXQLSA-N 2 2 389.503 3.647 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000893080728 837984660 /nfs/dbraw/zinc/98/46/60/837984660.db2.gz SFGLRNWKXJZLCB-NZSAHSFTSA-N 2 2 384.524 3.597 20 0 GHADLP CC[N@H+](Cc1ccnc(OC)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000535669437 844287602 /nfs/dbraw/zinc/28/76/02/844287602.db2.gz NXLFERMHYLCMMM-UHFFFAOYSA-N 2 2 383.540 3.803 20 0 GHADLP CC[N@@H+](Cc1ccnc(OC)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000535669437 844287612 /nfs/dbraw/zinc/28/76/12/844287612.db2.gz NXLFERMHYLCMMM-UHFFFAOYSA-N 2 2 383.540 3.803 20 0 GHADLP COc1c(C)c[nH+]c(CN2CC[NH+](Cc3cccc4cccnc43)CC2)c1C ZINC000067226965 844290032 /nfs/dbraw/zinc/29/00/32/844290032.db2.gz BONFGZOMLOWHOV-UHFFFAOYSA-N 2 2 376.504 3.573 20 0 GHADLP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CCn4cc[nH+]c4C2)CCC3)cc1 ZINC000547979664 838193656 /nfs/dbraw/zinc/19/36/56/838193656.db2.gz MGYCVSXZANVXKL-WBVHZDCISA-N 2 2 380.517 3.997 20 0 GHADLP C[C@H](c1cccc(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)c1)[NH+]1CCOCC1 ZINC000659291271 838215027 /nfs/dbraw/zinc/21/50/27/838215027.db2.gz FQUSQEKIVFMJIY-UTKZUKDTSA-N 2 2 393.531 3.711 20 0 GHADLP Cn1ccnc1[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000139410044 838258092 /nfs/dbraw/zinc/25/80/92/838258092.db2.gz QTAFIZZSJGFVCW-NRFANRHFSA-N 2 2 398.938 3.893 20 0 GHADLP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000415943315 838295451 /nfs/dbraw/zinc/29/54/51/838295451.db2.gz LKCSEKAXBRGMHO-UHFFFAOYSA-N 2 2 396.535 3.545 20 0 GHADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000182087604 838324204 /nfs/dbraw/zinc/32/42/04/838324204.db2.gz ARISYAOULPLXIA-KRWDZBQOSA-N 2 2 399.489 3.956 20 0 GHADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000182087604 838324209 /nfs/dbraw/zinc/32/42/09/838324209.db2.gz ARISYAOULPLXIA-KRWDZBQOSA-N 2 2 399.489 3.956 20 0 GHADLP O[C@@H]1C[NH2+]CC[N@H+](Cc2ccc3c(c2)c2ccccc2n3Cc2ccccc2)C1 ZINC001210473134 838341344 /nfs/dbraw/zinc/34/13/44/838341344.db2.gz APJHLCLUJFHHSQ-OAQYLSRUSA-N 2 2 385.511 3.609 20 0 GHADLP O[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc3c(c2)c2ccccc2n3Cc2ccccc2)C1 ZINC001210473134 838341350 /nfs/dbraw/zinc/34/13/50/838341350.db2.gz APJHLCLUJFHHSQ-OAQYLSRUSA-N 2 2 385.511 3.609 20 0 GHADLP CC(C)c1ccc(-c2noc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)n2)cc1 ZINC000110243530 844340643 /nfs/dbraw/zinc/34/06/43/844340643.db2.gz QFCWWBGTXYIVJS-UHFFFAOYSA-N 2 2 398.551 3.794 20 0 GHADLP CC[C@](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)(C(=O)OC)c1ccccc1 ZINC000414582438 838644473 /nfs/dbraw/zinc/64/44/73/838644473.db2.gz GUEVBLGZDXRISK-LJQANCHMSA-N 2 2 386.458 3.514 20 0 GHADLP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000185923202 838795801 /nfs/dbraw/zinc/79/58/01/838795801.db2.gz FZUMMSASXUNAON-KBRMVUAJSA-N 2 2 397.950 3.522 20 0 GHADLP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000185923202 838795810 /nfs/dbraw/zinc/79/58/10/838795810.db2.gz FZUMMSASXUNAON-KBRMVUAJSA-N 2 2 397.950 3.522 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1C ZINC000580089752 838845402 /nfs/dbraw/zinc/84/54/02/838845402.db2.gz BSNOVIZRBNADJD-LJQANCHMSA-N 2 2 388.556 3.646 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1C ZINC000580089752 838845411 /nfs/dbraw/zinc/84/54/11/838845411.db2.gz BSNOVIZRBNADJD-LJQANCHMSA-N 2 2 388.556 3.646 20 0 GHADLP Cc1c(Cl)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)nc2ccccc12 ZINC000378319180 838855140 /nfs/dbraw/zinc/85/51/40/838855140.db2.gz NHGNPOZFXYMSSF-IERDGZPVSA-N 2 2 386.971 3.654 20 0 GHADLP Cc1c(Cl)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)nc2ccccc12 ZINC000378319180 838855149 /nfs/dbraw/zinc/85/51/49/838855149.db2.gz NHGNPOZFXYMSSF-IERDGZPVSA-N 2 2 386.971 3.654 20 0 GHADLP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000892748255 838969293 /nfs/dbraw/zinc/96/92/93/838969293.db2.gz CKYKTRUNGDGJEA-UHFFFAOYSA-N 2 2 375.398 3.642 20 0 GHADLP Cc1ccccc1[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000363818471 839088218 /nfs/dbraw/zinc/08/82/18/839088218.db2.gz KULYLFFJZMESTB-IFMALSPDSA-N 2 2 386.584 3.502 20 0 GHADLP Cc1ccccc1[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000363818471 839088227 /nfs/dbraw/zinc/08/82/27/839088227.db2.gz KULYLFFJZMESTB-IFMALSPDSA-N 2 2 386.584 3.502 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc(CSC)c3)CC2)CC1 ZINC000580429341 839548891 /nfs/dbraw/zinc/54/88/91/839548891.db2.gz UYNRZFOMMNFYLV-UHFFFAOYSA-N 2 2 390.597 3.574 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc(CSC)c3)CC2)CC1 ZINC000580429341 839548899 /nfs/dbraw/zinc/54/88/99/839548899.db2.gz UYNRZFOMMNFYLV-UHFFFAOYSA-N 2 2 390.597 3.574 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000656253839 839830597 /nfs/dbraw/zinc/83/05/97/839830597.db2.gz YEGWYJRUZBEAHW-WMLDXEAASA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000656253839 839830602 /nfs/dbraw/zinc/83/06/02/839830602.db2.gz YEGWYJRUZBEAHW-WMLDXEAASA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000656253839 839830611 /nfs/dbraw/zinc/83/06/11/839830611.db2.gz YEGWYJRUZBEAHW-WMLDXEAASA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000656253839 839830620 /nfs/dbraw/zinc/83/06/20/839830620.db2.gz YEGWYJRUZBEAHW-WMLDXEAASA-N 2 2 391.357 3.858 20 0 GHADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1c(Cl)cccc1Cl ZINC000601476550 840155720 /nfs/dbraw/zinc/15/57/20/840155720.db2.gz FPBWMBFMXJPWKP-ZBFHGGJFSA-N 2 2 398.378 3.724 20 0 GHADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1c(Cl)cccc1Cl ZINC000601476550 840155726 /nfs/dbraw/zinc/15/57/26/840155726.db2.gz FPBWMBFMXJPWKP-ZBFHGGJFSA-N 2 2 398.378 3.724 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000195194001 840425322 /nfs/dbraw/zinc/42/53/22/840425322.db2.gz XHZZPCWWZBVKNJ-OAQYLSRUSA-N 2 2 388.487 3.748 20 0 GHADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000581040772 840624801 /nfs/dbraw/zinc/62/48/01/840624801.db2.gz ZQGJNKPDWZVNOH-WMLDXEAASA-N 2 2 376.850 3.855 20 0 GHADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000581040772 840624807 /nfs/dbraw/zinc/62/48/07/840624807.db2.gz ZQGJNKPDWZVNOH-WMLDXEAASA-N 2 2 376.850 3.855 20 0 GHADLP Oc1cccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]2CC[C@H](O)CC2)c1 ZINC000584728135 840672411 /nfs/dbraw/zinc/67/24/11/840672411.db2.gz CVDPKPBSLXFGDW-HZCBDIJESA-N 2 2 377.488 3.884 20 0 GHADLP Oc1cccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]2CC[C@H](O)CC2)c1 ZINC000584728135 840672418 /nfs/dbraw/zinc/67/24/18/840672418.db2.gz CVDPKPBSLXFGDW-HZCBDIJESA-N 2 2 377.488 3.884 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000581210511 840855560 /nfs/dbraw/zinc/85/55/60/840855560.db2.gz NNYDEMKJIQHBDE-OFVILXPXSA-N 2 2 393.575 3.662 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC[C@@H](COc4ccccc4)C3)C2)cc1 ZINC000584795687 840900715 /nfs/dbraw/zinc/90/07/15/840900715.db2.gz USHLWUAZBARLMB-VWNXMTODSA-N 2 2 380.532 3.678 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC[C@@H](COc4ccccc4)C3)C2)cc1 ZINC000584795687 840900727 /nfs/dbraw/zinc/90/07/27/840900727.db2.gz USHLWUAZBARLMB-VWNXMTODSA-N 2 2 380.532 3.678 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC[C@@H](COc4ccccc4)C3)C2)cc1 ZINC000584795687 840900733 /nfs/dbraw/zinc/90/07/33/840900733.db2.gz USHLWUAZBARLMB-VWNXMTODSA-N 2 2 380.532 3.678 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC[C@@H](COc4ccccc4)C3)C2)cc1 ZINC000584795687 840900741 /nfs/dbraw/zinc/90/07/41/840900741.db2.gz USHLWUAZBARLMB-VWNXMTODSA-N 2 2 380.532 3.678 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000510385324 841062448 /nfs/dbraw/zinc/06/24/48/841062448.db2.gz WNOJGDRSRUNEND-UHFFFAOYSA-N 2 2 376.504 3.951 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000510385324 841062464 /nfs/dbraw/zinc/06/24/64/841062464.db2.gz WNOJGDRSRUNEND-UHFFFAOYSA-N 2 2 376.504 3.951 20 0 GHADLP CC[NH2+]CC1CC[NH+](Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)CC1 ZINC000430562872 841120202 /nfs/dbraw/zinc/12/02/02/841120202.db2.gz SMUUWVCGLQLYOA-UHFFFAOYSA-N 2 2 386.565 3.958 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000430575816 841204910 /nfs/dbraw/zinc/20/49/10/841204910.db2.gz AIMUFRDIGGMXQI-NBCNXNJRSA-N 2 2 385.939 3.605 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000430575816 841204916 /nfs/dbraw/zinc/20/49/16/841204916.db2.gz AIMUFRDIGGMXQI-NBCNXNJRSA-N 2 2 385.939 3.605 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000581468193 841454884 /nfs/dbraw/zinc/45/48/84/841454884.db2.gz VUMCWNDAKYBQJX-OXQOHEQNSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000581468193 841454889 /nfs/dbraw/zinc/45/48/89/841454889.db2.gz VUMCWNDAKYBQJX-OXQOHEQNSA-N 2 2 377.960 3.684 20 0 GHADLP c1coc(C2CC[NH+](CC3(C[NH+]4CCC(c5ccco5)CC4)COC3)CC2)c1 ZINC000661161703 841471287 /nfs/dbraw/zinc/47/12/87/841471287.db2.gz WBJOMUXUKJHABG-UHFFFAOYSA-N 2 2 384.520 3.948 20 0 GHADLP Cc1cccc2c1[nH+]cc(C)c2N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C ZINC000581569469 841686323 /nfs/dbraw/zinc/68/63/23/841686323.db2.gz FSMFGKVXSCASJZ-HKUYNNGSSA-N 2 2 381.499 3.634 20 0 GHADLP Cc1cccc2c1[nH+]cc(C)c2N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C ZINC000581569469 841686328 /nfs/dbraw/zinc/68/63/28/841686328.db2.gz FSMFGKVXSCASJZ-HKUYNNGSSA-N 2 2 381.499 3.634 20 0 GHADLP c1ccc(CCc2noc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)cc1 ZINC000075625761 841692649 /nfs/dbraw/zinc/69/26/49/841692649.db2.gz WSEVUFCICHIZRF-UHFFFAOYSA-N 2 2 382.552 3.943 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1csc(Cl)c1 ZINC000276384762 841765024 /nfs/dbraw/zinc/76/50/24/841765024.db2.gz QMPAVTWOJGCYHW-AWEZNQCLSA-N 2 2 377.941 3.640 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430634952 841953895 /nfs/dbraw/zinc/95/38/95/841953895.db2.gz FKDSEQIFDVDURB-CTNGQTDRSA-N 2 2 388.515 3.964 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430634952 841953903 /nfs/dbraw/zinc/95/39/03/841953903.db2.gz FKDSEQIFDVDURB-CTNGQTDRSA-N 2 2 388.515 3.964 20 0 GHADLP C[C@H](c1nc2ccccc2s1)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000652339750 842297090 /nfs/dbraw/zinc/29/70/90/842297090.db2.gz KYYAYKHIGKTYGD-QGZVFWFLSA-N 2 2 392.572 3.821 20 0 GHADLP Brc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390912672 842411016 /nfs/dbraw/zinc/41/10/16/842411016.db2.gz QEGBIUHNMVJOKW-FQEVSTJZSA-N 2 2 389.337 3.830 20 0 GHADLP Brc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390912672 842411025 /nfs/dbraw/zinc/41/10/25/842411025.db2.gz QEGBIUHNMVJOKW-FQEVSTJZSA-N 2 2 389.337 3.830 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C[NH+]3CCSCC3)cc2)c1C ZINC000512086516 842450749 /nfs/dbraw/zinc/45/07/49/842450749.db2.gz AAYXGQQSPYAMPP-UHFFFAOYSA-N 2 2 399.560 3.528 20 0 GHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000471791136 842539641 /nfs/dbraw/zinc/53/96/41/842539641.db2.gz IEFHTKFMMGGMJV-FYYLOGMGSA-N 2 2 388.515 3.685 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2O)[C@H](C)C1 ZINC000248480555 842679896 /nfs/dbraw/zinc/67/98/96/842679896.db2.gz APBSXEURLPPBTC-RKVPGOIHSA-N 2 2 399.373 3.942 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2O)[C@H](C)C1 ZINC000248480555 842679908 /nfs/dbraw/zinc/67/99/08/842679908.db2.gz APBSXEURLPPBTC-RKVPGOIHSA-N 2 2 399.373 3.942 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662245720 843005196 /nfs/dbraw/zinc/00/51/96/843005196.db2.gz OFDRPMIEVXWSPC-NWDGAFQWSA-N 2 2 395.263 3.949 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662245720 843005199 /nfs/dbraw/zinc/00/51/99/843005199.db2.gz OFDRPMIEVXWSPC-NWDGAFQWSA-N 2 2 395.263 3.949 20 0 GHADLP Cc1ccc([C@H](CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)[NH+]2CCCC2)o1 ZINC000510664811 843155004 /nfs/dbraw/zinc/15/50/04/843155004.db2.gz GESUDFSXBBIZDE-FQEVSTJZSA-N 2 2 378.476 3.649 20 0 GHADLP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512236837 843171305 /nfs/dbraw/zinc/17/13/05/843171305.db2.gz KRPXXOOPKYJYEJ-BWKNWUBXSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512236837 843171312 /nfs/dbraw/zinc/17/13/12/843171312.db2.gz KRPXXOOPKYJYEJ-BWKNWUBXSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512236837 843171318 /nfs/dbraw/zinc/17/13/18/843171318.db2.gz KRPXXOOPKYJYEJ-BWKNWUBXSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512236837 843171324 /nfs/dbraw/zinc/17/13/24/843171324.db2.gz KRPXXOOPKYJYEJ-BWKNWUBXSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512296447 843332046 /nfs/dbraw/zinc/33/20/46/843332046.db2.gz YRSZJRYRNQTMNS-RUZDIDTESA-N 2 2 391.559 3.551 20 0 GHADLP Cc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512296447 843332052 /nfs/dbraw/zinc/33/20/52/843332052.db2.gz YRSZJRYRNQTMNS-RUZDIDTESA-N 2 2 391.559 3.551 20 0 GHADLP Cc1ccccc1CN(C)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512296447 843332065 /nfs/dbraw/zinc/33/20/65/843332065.db2.gz YRSZJRYRNQTMNS-RUZDIDTESA-N 2 2 391.559 3.551 20 0 GHADLP Cc1ccccc1CN(C)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512296447 843332073 /nfs/dbraw/zinc/33/20/73/843332073.db2.gz YRSZJRYRNQTMNS-RUZDIDTESA-N 2 2 391.559 3.551 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000535657537 843350851 /nfs/dbraw/zinc/35/08/51/843350851.db2.gz CRWJXUWXPHAHCR-IAGOWNOFSA-N 2 2 377.941 3.638 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000535657537 843350862 /nfs/dbraw/zinc/35/08/62/843350862.db2.gz CRWJXUWXPHAHCR-IAGOWNOFSA-N 2 2 377.941 3.638 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418682306 843530598 /nfs/dbraw/zinc/53/05/98/843530598.db2.gz WHBRYPLJUPXUPY-PXNSSMCTSA-N 2 2 386.565 3.617 20 0 GHADLP CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000662702029 843535773 /nfs/dbraw/zinc/53/57/73/843535773.db2.gz VHIHLUGTCVIZTL-JOCHJYFZSA-N 2 2 388.515 3.603 20 0 GHADLP [NH2+]=C(Nc1[nH]ccc2nc(-c3c(Cl)cccc3Cl)nc1-2)SCC[NH3+] ZINC001167914247 843587030 /nfs/dbraw/zinc/58/70/30/843587030.db2.gz IUDHEBIZDNJTSP-UHFFFAOYSA-N 2 2 381.292 3.970 20 0 GHADLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccncc3Cl)CC2)c1C ZINC000091709138 843641705 /nfs/dbraw/zinc/64/17/05/843641705.db2.gz MBHKPDHLVLAYGJ-UHFFFAOYSA-N 2 2 388.943 3.852 20 0 GHADLP CCOC(=O)c1csc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000432771253 843764331 /nfs/dbraw/zinc/76/43/31/843764331.db2.gz KFIGGOGJFZUPLY-UHFFFAOYSA-N 2 2 399.560 3.808 20 0 GHADLP CCOC(=O)c1csc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000432771253 843764337 /nfs/dbraw/zinc/76/43/37/843764337.db2.gz KFIGGOGJFZUPLY-UHFFFAOYSA-N 2 2 399.560 3.808 20 0 GHADLP CC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000092377184 843797963 /nfs/dbraw/zinc/79/79/63/843797963.db2.gz VYNXOKLULJROQG-UHFFFAOYSA-N 2 2 394.350 3.557 20 0 GHADLP CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000092377184 843797968 /nfs/dbraw/zinc/79/79/68/843797968.db2.gz VYNXOKLULJROQG-UHFFFAOYSA-N 2 2 394.350 3.557 20 0 GHADLP C[C@H]1CN(c2nc3cc(Cl)cc(Cl)c3o2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000432827994 844002173 /nfs/dbraw/zinc/00/21/73/844002173.db2.gz FYJUTLUUSNAVKW-LBPRGKRZSA-N 2 2 383.323 3.739 20 0 GHADLP C[C@H]1CN(c2nc3cc(Cl)cc(Cl)c3o2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000432827994 844002178 /nfs/dbraw/zinc/00/21/78/844002178.db2.gz FYJUTLUUSNAVKW-LBPRGKRZSA-N 2 2 383.323 3.739 20 0 GHADLP CC[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535876150 844962716 /nfs/dbraw/zinc/96/27/16/844962716.db2.gz MDXNEGBTGAZFKN-GFOJFJKKSA-N 2 2 378.605 3.544 20 0 GHADLP CC[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535876150 844962722 /nfs/dbraw/zinc/96/27/22/844962722.db2.gz MDXNEGBTGAZFKN-GFOJFJKKSA-N 2 2 378.605 3.544 20 0 GHADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000512667618 844963588 /nfs/dbraw/zinc/96/35/88/844963588.db2.gz FJUMWGXKTONNEZ-VYUBKGOISA-N 2 2 394.538 3.768 20 0 GHADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000512667618 844963593 /nfs/dbraw/zinc/96/35/93/844963593.db2.gz FJUMWGXKTONNEZ-VYUBKGOISA-N 2 2 394.538 3.768 20 0 GHADLP COc1ccccc1-n1nccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000430001704 845103779 /nfs/dbraw/zinc/10/37/79/845103779.db2.gz CYNSKJNIKUGOQP-UHFFFAOYSA-N 2 2 390.531 3.678 20 0 GHADLP Cc1cc(CO)cc(NC2CC[NH+](Cc3cccc(Br)c3)CC2)[nH+]1 ZINC000664018959 845419192 /nfs/dbraw/zinc/41/91/92/845419192.db2.gz ABVXOJXOHOUKRF-UHFFFAOYSA-N 2 2 390.325 3.721 20 0 GHADLP COC(=O)[C@@H](c1ccsc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433163892 845550311 /nfs/dbraw/zinc/55/03/11/845550311.db2.gz CRIGDMXIQYGGTL-HXUWFJFHSA-N 2 2 384.545 3.950 20 0 GHADLP COC(=O)[C@@H](c1ccsc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433163892 845550319 /nfs/dbraw/zinc/55/03/19/845550319.db2.gz CRIGDMXIQYGGTL-HXUWFJFHSA-N 2 2 384.545 3.950 20 0 GHADLP C[N@H+](Cc1ccc(-c2ccc(Br)cc2)o1)C1CC[NH+](CCO)CC1 ZINC000513564613 845676025 /nfs/dbraw/zinc/67/60/25/845676025.db2.gz YOFIMGHULQKTIX-UHFFFAOYSA-N 2 2 393.325 3.598 20 0 GHADLP C[N@@H+](Cc1ccc(-c2ccc(Br)cc2)o1)C1CC[NH+](CCO)CC1 ZINC000513564613 845676026 /nfs/dbraw/zinc/67/60/26/845676026.db2.gz YOFIMGHULQKTIX-UHFFFAOYSA-N 2 2 393.325 3.598 20 0 GHADLP Cc1nc2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2o1 ZINC000279997767 846261776 /nfs/dbraw/zinc/26/17/76/846261776.db2.gz KWFQRFJNCPNWEV-LEWJYISDSA-N 2 2 398.551 3.545 20 0 GHADLP Cc1nc2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2o1 ZINC000279997767 846261790 /nfs/dbraw/zinc/26/17/90/846261790.db2.gz KWFQRFJNCPNWEV-LEWJYISDSA-N 2 2 398.551 3.545 20 0 GHADLP CC(=O)NCC[N@H+](CCCn1cc[nH+]c1C)Cc1ccc(Cl)cc1Cl ZINC000502793861 846473219 /nfs/dbraw/zinc/47/32/19/846473219.db2.gz XPRHSHFFXJRKSK-UHFFFAOYSA-N 2 2 383.323 3.527 20 0 GHADLP CC(=O)NCC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccc(Cl)cc1Cl ZINC000502793861 846473222 /nfs/dbraw/zinc/47/32/22/846473222.db2.gz XPRHSHFFXJRKSK-UHFFFAOYSA-N 2 2 383.323 3.527 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000502886339 846598707 /nfs/dbraw/zinc/59/87/07/846598707.db2.gz GBZFOKJECLKOKL-IBGZPJMESA-N 2 2 387.572 3.526 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000502886339 846598710 /nfs/dbraw/zinc/59/87/10/846598710.db2.gz GBZFOKJECLKOKL-IBGZPJMESA-N 2 2 387.572 3.526 20 0 GHADLP C[NH+](C)[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000124809476 846614362 /nfs/dbraw/zinc/61/43/62/846614362.db2.gz OYTKBJJPRKLGFS-QHCPKHFHSA-N 2 2 387.518 3.864 20 0 GHADLP CN(C)[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000124809476 846614366 /nfs/dbraw/zinc/61/43/66/846614366.db2.gz OYTKBJJPRKLGFS-QHCPKHFHSA-N 2 2 387.518 3.864 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000501109637 846650883 /nfs/dbraw/zinc/65/08/83/846650883.db2.gz JFZSJKIPNVESKZ-HDICACEKSA-N 2 2 386.971 3.879 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000501109637 846650886 /nfs/dbraw/zinc/65/08/86/846650886.db2.gz JFZSJKIPNVESKZ-HDICACEKSA-N 2 2 386.971 3.879 20 0 GHADLP COc1cccc2c(NCc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)c(C)c[nH+]c12 ZINC000664237008 846739966 /nfs/dbraw/zinc/73/99/66/846739966.db2.gz PFYHYNUQPRDJSM-LJQANCHMSA-N 2 2 377.488 3.731 20 0 GHADLP COc1cccc2c(NCc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)c(C)c[nH+]c12 ZINC000664237008 846739973 /nfs/dbraw/zinc/73/99/73/846739973.db2.gz PFYHYNUQPRDJSM-LJQANCHMSA-N 2 2 377.488 3.731 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3coc4c3ccc(C)c4C)CC2)CC1 ZINC000422002815 846741438 /nfs/dbraw/zinc/74/14/38/846741438.db2.gz BTFWYKUJLQQMET-UHFFFAOYSA-N 2 2 397.563 3.611 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3coc4c3ccc(C)c4C)CC2)CC1 ZINC000422002815 846741439 /nfs/dbraw/zinc/74/14/39/846741439.db2.gz BTFWYKUJLQQMET-UHFFFAOYSA-N 2 2 397.563 3.611 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](CCc3ccccc3)C(C)C)CC2)CC1 ZINC000422010361 846748943 /nfs/dbraw/zinc/74/89/43/846748943.db2.gz CBGXVJYDMDMKQM-DEOSSOPVSA-N 2 2 399.623 3.910 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](CCc3ccccc3)C(C)C)CC2)CC1 ZINC000422010361 846748947 /nfs/dbraw/zinc/74/89/47/846748947.db2.gz CBGXVJYDMDMKQM-DEOSSOPVSA-N 2 2 399.623 3.910 20 0 GHADLP CC[C@H](CC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccc(C)cc1 ZINC000422028190 846759062 /nfs/dbraw/zinc/75/90/62/846759062.db2.gz XKQBGTMKUFRLAA-OAQYLSRUSA-N 2 2 385.596 3.897 20 0 GHADLP CC[C@H](CC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccc(C)cc1 ZINC000422028190 846759063 /nfs/dbraw/zinc/75/90/63/846759063.db2.gz XKQBGTMKUFRLAA-OAQYLSRUSA-N 2 2 385.596 3.897 20 0 GHADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c(Br)c1 ZINC000375686959 846802000 /nfs/dbraw/zinc/80/20/00/846802000.db2.gz GZHBRYQFSKFXEW-UHFFFAOYSA-N 2 2 387.281 3.637 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)c3cccc(Cl)c3)CC2)CC1 ZINC000422151199 846855629 /nfs/dbraw/zinc/85/56/29/846855629.db2.gz ZXLVTXZIGPIGOE-QGZVFWFLSA-N 2 2 392.975 3.603 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](C)c3cccc(Cl)c3)CC2)CC1 ZINC000422151199 846855636 /nfs/dbraw/zinc/85/56/36/846855636.db2.gz ZXLVTXZIGPIGOE-QGZVFWFLSA-N 2 2 392.975 3.603 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(I)cc2Cl)[C@H](C)C1 ZINC000501444141 846931059 /nfs/dbraw/zinc/93/10/59/846931059.db2.gz AFMOBZJAOWGJIQ-ABAIWWIYSA-N 2 2 392.712 3.765 20 0 GHADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(I)cc2Cl)[C@H](C)C1 ZINC000501444141 846931063 /nfs/dbraw/zinc/93/10/63/846931063.db2.gz AFMOBZJAOWGJIQ-ABAIWWIYSA-N 2 2 392.712 3.765 20 0 GHADLP COc1ccc(OC)c([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000272267878 847033578 /nfs/dbraw/zinc/03/35/78/847033578.db2.gz MRTNLCSRUHKFIY-MRXNPFEDSA-N 2 2 384.524 3.802 20 0 GHADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3c(Br)cccc3C2)cc1 ZINC000420296079 847090216 /nfs/dbraw/zinc/09/02/16/847090216.db2.gz CZXDSZFBWQYSFQ-MRXNPFEDSA-N 2 2 375.310 3.558 20 0 GHADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3c(Br)cccc3C2)cc1 ZINC000420296079 847090224 /nfs/dbraw/zinc/09/02/24/847090224.db2.gz CZXDSZFBWQYSFQ-MRXNPFEDSA-N 2 2 375.310 3.558 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420406343 847170350 /nfs/dbraw/zinc/17/03/50/847170350.db2.gz NSIBZVOUQYEREN-JLMWRMLUSA-N 2 2 381.520 3.682 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420406343 847170352 /nfs/dbraw/zinc/17/03/52/847170352.db2.gz NSIBZVOUQYEREN-JLMWRMLUSA-N 2 2 381.520 3.682 20 0 GHADLP Cc1c(Cl)cccc1NC(=O)CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272940276 847213247 /nfs/dbraw/zinc/21/32/47/847213247.db2.gz UCWFCRYKSLFSCP-UHFFFAOYSA-N 2 2 391.865 3.983 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1Cl ZINC000475008838 861807898 /nfs/dbraw/zinc/80/78/98/861807898.db2.gz IDMCXDJVIAWUGS-LJQANCHMSA-N 2 2 399.926 3.870 20 0 GHADLP OCC1([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc2)CCCC1 ZINC000420971773 847600585 /nfs/dbraw/zinc/60/05/85/847600585.db2.gz KTHIMYPWXNXNGB-DEOSSOPVSA-N 2 2 394.559 3.902 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(CSC)cc3)CC2)CC1 ZINC000421049351 847665151 /nfs/dbraw/zinc/66/51/51/847665151.db2.gz AESPJMHIEAWENA-UHFFFAOYSA-N 2 2 390.597 3.574 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(CSC)cc3)CC2)CC1 ZINC000421049351 847665160 /nfs/dbraw/zinc/66/51/60/847665160.db2.gz AESPJMHIEAWENA-UHFFFAOYSA-N 2 2 390.597 3.574 20 0 GHADLP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)CC2)CC1 ZINC000152729587 847678963 /nfs/dbraw/zinc/67/89/63/847678963.db2.gz YBVBDZJQPDPYDM-WCHWRFHJSA-N 2 2 387.572 3.519 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(-c4ccc[nH]4)cc3)CC2)CC1 ZINC000421089918 847709737 /nfs/dbraw/zinc/70/97/37/847709737.db2.gz NNXRZFOXUXPNAS-UHFFFAOYSA-N 2 2 395.551 3.706 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(-c4ccc[nH]4)cc3)CC2)CC1 ZINC000421089918 847709743 /nfs/dbraw/zinc/70/97/43/847709743.db2.gz NNXRZFOXUXPNAS-UHFFFAOYSA-N 2 2 395.551 3.706 20 0 GHADLP COCCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1OC ZINC000502301261 847711272 /nfs/dbraw/zinc/71/12/72/847711272.db2.gz OICGPAPNWNCIRS-LJQANCHMSA-N 2 2 399.535 3.633 20 0 GHADLP COCCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1OC ZINC000502301261 847711283 /nfs/dbraw/zinc/71/12/83/847711283.db2.gz OICGPAPNWNCIRS-LJQANCHMSA-N 2 2 399.535 3.633 20 0 GHADLP Cn1c2ccc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2sc1=O ZINC000502326390 847741691 /nfs/dbraw/zinc/74/16/91/847741691.db2.gz NRVCCAHLELOZPG-INIZCTEOSA-N 2 2 382.533 3.512 20 0 GHADLP Cn1c2ccc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2sc1=O ZINC000502326390 847741701 /nfs/dbraw/zinc/74/17/01/847741701.db2.gz NRVCCAHLELOZPG-INIZCTEOSA-N 2 2 382.533 3.512 20 0 GHADLP COc1ccc([C@H](Cc2ccccc2C)[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1OC ZINC000422788031 847822741 /nfs/dbraw/zinc/82/27/41/847822741.db2.gz RVHNRHSLVAHOFW-BWAGFHJFSA-N 2 2 398.547 3.653 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cnn(C2CCCC2)c1 ZINC000502402752 847844384 /nfs/dbraw/zinc/84/43/84/847844384.db2.gz NJDGTAUTBXCPQU-HARLFGEKSA-N 2 2 382.552 3.532 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cnn(C2CCCC2)c1 ZINC000502402752 847844391 /nfs/dbraw/zinc/84/43/91/847844391.db2.gz NJDGTAUTBXCPQU-HARLFGEKSA-N 2 2 382.552 3.532 20 0 GHADLP C[C@@H](CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CC[NH2+]CC1 ZINC000237521200 848362517 /nfs/dbraw/zinc/36/25/17/848362517.db2.gz LHMDISZXKLDNDO-HNAYVOBHSA-N 2 2 395.950 3.586 20 0 GHADLP C[C@@H](CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CC[NH2+]CC1 ZINC000237521200 848362521 /nfs/dbraw/zinc/36/25/21/848362521.db2.gz LHMDISZXKLDNDO-HNAYVOBHSA-N 2 2 395.950 3.586 20 0 GHADLP CN1CC[NH+](CC2CC[NH+](Cc3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1 ZINC000582814035 848452911 /nfs/dbraw/zinc/45/29/11/848452911.db2.gz XWQXKAQVLAFGHL-UHFFFAOYSA-N 2 2 389.893 3.818 20 0 GHADLP O=C(NCC[NH+]1Cc2ccccc2C1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604184276 861908820 /nfs/dbraw/zinc/90/88/20/861908820.db2.gz BDPXEKRIQIOZAH-QHCPKHFHSA-N 2 2 392.547 3.529 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000192346586 861923881 /nfs/dbraw/zinc/92/38/81/861923881.db2.gz ODKNCDKALKYJEP-KDURUIRLSA-N 2 2 391.604 3.624 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000192346586 861923889 /nfs/dbraw/zinc/92/38/89/861923889.db2.gz ODKNCDKALKYJEP-KDURUIRLSA-N 2 2 391.604 3.624 20 0 GHADLP [NH3+]C1(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CCCCC1 ZINC000237896208 848779268 /nfs/dbraw/zinc/77/92/68/848779268.db2.gz VWGGJLWDCNANHN-UHFFFAOYSA-N 2 2 388.515 3.876 20 0 GHADLP Clc1cc(Cl)c2c(c1)C=C(C[NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CO2 ZINC000657750235 849599401 /nfs/dbraw/zinc/59/94/01/849599401.db2.gz FCBHFJVKXQMZFW-QGZVFWFLSA-N 2 2 383.319 3.612 20 0 GHADLP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)C2)cc1F ZINC000503895149 849747197 /nfs/dbraw/zinc/74/71/97/849747197.db2.gz VCTANCZOCSUVAU-QWJIHBKKSA-N 2 2 383.511 3.976 20 0 GHADLP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)C2)cc1F ZINC000503895149 849747205 /nfs/dbraw/zinc/74/72/05/849747205.db2.gz VCTANCZOCSUVAU-QWJIHBKKSA-N 2 2 383.511 3.976 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)cc1 ZINC000423346580 849864483 /nfs/dbraw/zinc/86/44/83/849864483.db2.gz YRVYIXZCDZLFFN-NDXORKPFSA-N 2 2 384.520 3.817 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(-c2ccccc2Br)s1 ZINC000423510437 849960532 /nfs/dbraw/zinc/96/05/32/849960532.db2.gz JQYHXEQJTAENKF-KBPBESRZSA-N 2 2 394.382 3.732 20 0 GHADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(-c2ccccc2Br)s1 ZINC000423522940 849966361 /nfs/dbraw/zinc/96/63/61/849966361.db2.gz MLDUDUJDUZBZIE-CHWSQXEVSA-N 2 2 381.339 3.817 20 0 GHADLP CC(C)[NH+](CCN(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C(C)C ZINC000504471667 850084867 /nfs/dbraw/zinc/08/48/67/850084867.db2.gz SVTJEYBXQGHVQU-QGZVFWFLSA-N 2 2 395.617 3.958 20 0 GHADLP CC(C)[NH+](CCN(C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C(C)C ZINC000504471667 850084879 /nfs/dbraw/zinc/08/48/79/850084879.db2.gz SVTJEYBXQGHVQU-QGZVFWFLSA-N 2 2 395.617 3.958 20 0 GHADLP CC(C)C[C@@H](C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1)n1cc[nH+]c1 ZINC000908414695 850088757 /nfs/dbraw/zinc/08/87/57/850088757.db2.gz KUPZISKIIQIOLA-SFHVURJKSA-N 2 2 381.480 3.846 20 0 GHADLP COc1cc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc(Cl)c1OC ZINC000435394120 850462146 /nfs/dbraw/zinc/46/21/46/850462146.db2.gz MCOKYSAQNPZEOX-GOSISDBHSA-N 2 2 389.927 3.897 20 0 GHADLP COc1cc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc(Cl)c1OC ZINC000435394120 850462150 /nfs/dbraw/zinc/46/21/50/850462150.db2.gz MCOKYSAQNPZEOX-GOSISDBHSA-N 2 2 389.927 3.897 20 0 GHADLP CCCOc1cccc(C[N@H+](Cc2nccn2CC)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435436967 850526207 /nfs/dbraw/zinc/52/62/07/850526207.db2.gz HSGYXFZTVKGYMJ-OAQYLSRUSA-N 2 2 382.552 3.836 20 0 GHADLP CCCOc1cccc(C[N@@H+](Cc2nccn2CC)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435436967 850526213 /nfs/dbraw/zinc/52/62/13/850526213.db2.gz HSGYXFZTVKGYMJ-OAQYLSRUSA-N 2 2 382.552 3.836 20 0 GHADLP COc1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000435440717 850529426 /nfs/dbraw/zinc/52/94/26/850529426.db2.gz ZDYLWAQHBKUKSR-QGZVFWFLSA-N 2 2 377.941 3.949 20 0 GHADLP COc1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000435440717 850529431 /nfs/dbraw/zinc/52/94/31/850529431.db2.gz ZDYLWAQHBKUKSR-QGZVFWFLSA-N 2 2 377.941 3.949 20 0 GHADLP COc1cc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)ccc1SC ZINC000435442180 850531821 /nfs/dbraw/zinc/53/18/21/850531821.db2.gz HASUWUYVQMOCBP-MRXNPFEDSA-N 2 2 377.579 3.794 20 0 GHADLP COc1cc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)ccc1SC ZINC000435442180 850531833 /nfs/dbraw/zinc/53/18/33/850531833.db2.gz HASUWUYVQMOCBP-MRXNPFEDSA-N 2 2 377.579 3.794 20 0 GHADLP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000487227738 850582023 /nfs/dbraw/zinc/58/20/23/850582023.db2.gz TYLCLXBBGPJJEE-OAQYLSRUSA-N 2 2 397.494 3.564 20 0 GHADLP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000487227738 850582032 /nfs/dbraw/zinc/58/20/32/850582032.db2.gz TYLCLXBBGPJJEE-OAQYLSRUSA-N 2 2 397.494 3.564 20 0 GHADLP C[N@H+](Cc1ccccc1C(F)(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000509169315 862151158 /nfs/dbraw/zinc/15/11/58/862151158.db2.gz QNGKSLLKJKRMEL-FQEVSTJZSA-N 2 2 378.438 3.774 20 0 GHADLP C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000509169315 862151163 /nfs/dbraw/zinc/15/11/63/862151163.db2.gz QNGKSLLKJKRMEL-FQEVSTJZSA-N 2 2 378.438 3.774 20 0 GHADLP C[NH+](Cc1ccccc1C(F)(F)F)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000509169315 862151172 /nfs/dbraw/zinc/15/11/72/862151172.db2.gz QNGKSLLKJKRMEL-FQEVSTJZSA-N 2 2 378.438 3.774 20 0 GHADLP C[NH+](Cc1ccccc1C(F)(F)F)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000509169315 862151176 /nfs/dbraw/zinc/15/11/76/862151176.db2.gz QNGKSLLKJKRMEL-FQEVSTJZSA-N 2 2 378.438 3.774 20 0 GHADLP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513817054 850909661 /nfs/dbraw/zinc/90/96/61/850909661.db2.gz ZVFRWVQPEGUCEJ-MRXNPFEDSA-N 2 2 392.494 3.927 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2ccccc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000519396027 851001437 /nfs/dbraw/zinc/00/14/37/851001437.db2.gz UBUIZGKWXOLQCH-UFYCRDLUSA-N 2 2 389.902 3.739 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2ccccc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000519396027 851001441 /nfs/dbraw/zinc/00/14/41/851001441.db2.gz UBUIZGKWXOLQCH-UFYCRDLUSA-N 2 2 389.902 3.739 20 0 GHADLP c1ccc([C@H]2CC[C@@H]([NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)C2)cc1 ZINC000436277401 851421196 /nfs/dbraw/zinc/42/11/96/851421196.db2.gz XROGBFKUBBNHIP-JTHBVZDNSA-N 2 2 380.532 3.824 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000425148426 851495505 /nfs/dbraw/zinc/49/55/05/851495505.db2.gz NQERRHWCNFIJJG-QFIPXVFZSA-N 2 2 388.515 3.713 20 0 GHADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccccc3OC)C2)cc1 ZINC000505485144 851531342 /nfs/dbraw/zinc/53/13/42/851531342.db2.gz YDUIIAZHMGXAGO-QFIPXVFZSA-N 2 2 395.547 3.714 20 0 GHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccccc3OC)C2)cc1 ZINC000505485144 851531350 /nfs/dbraw/zinc/53/13/50/851531350.db2.gz YDUIIAZHMGXAGO-QFIPXVFZSA-N 2 2 395.547 3.714 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180650282 862267393 /nfs/dbraw/zinc/26/73/93/862267393.db2.gz PURSWJPCPLHXKK-CQSZACIVSA-N 2 2 399.292 3.924 20 0 GHADLP CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000550143155 851742758 /nfs/dbraw/zinc/74/27/58/851742758.db2.gz WOYFGXBJQLOWKU-FQEVSTJZSA-N 2 2 380.467 3.538 20 0 GHADLP CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000550143155 851742763 /nfs/dbraw/zinc/74/27/63/851742763.db2.gz WOYFGXBJQLOWKU-FQEVSTJZSA-N 2 2 380.467 3.538 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000436472425 851957756 /nfs/dbraw/zinc/95/77/56/851957756.db2.gz XRVJAZFAPBRHOW-UXHICEINSA-N 2 2 394.563 3.622 20 0 GHADLP C[C@H](c1nnc(SC[C@H]2CC[N@H+](C)C2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000473794785 852072438 /nfs/dbraw/zinc/07/24/38/852072438.db2.gz NFJHGLBHMMEWIB-MSOLQXFVSA-N 2 2 385.581 3.858 20 0 GHADLP C[C@H](c1nnc(SC[C@H]2CC[N@@H+](C)C2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000473794785 852072444 /nfs/dbraw/zinc/07/24/44/852072444.db2.gz NFJHGLBHMMEWIB-MSOLQXFVSA-N 2 2 385.581 3.858 20 0 GHADLP Cc1cccc(C[N@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000506912420 852322279 /nfs/dbraw/zinc/32/22/79/852322279.db2.gz RMGSGXQRTCRWIZ-UHFFFAOYSA-N 2 2 383.561 3.614 20 0 GHADLP Cc1cccc(C[N@@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000506912420 852322293 /nfs/dbraw/zinc/32/22/93/852322293.db2.gz RMGSGXQRTCRWIZ-UHFFFAOYSA-N 2 2 383.561 3.614 20 0 GHADLP FC(F)(F)c1ccc(Cl)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000506925845 852342296 /nfs/dbraw/zinc/34/22/96/852342296.db2.gz HZULYNFUIZNLRR-UHFFFAOYSA-N 2 2 376.850 3.903 20 0 GHADLP C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2O)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000436828838 852378541 /nfs/dbraw/zinc/37/85/41/852378541.db2.gz NUALBAWVOAORNQ-QGZVFWFLSA-N 2 2 390.487 3.533 20 0 GHADLP COc1ccc([C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[NH+]2CCCCC2)cc1 ZINC000516338205 852435287 /nfs/dbraw/zinc/43/52/87/852435287.db2.gz AZLWHVNAVKGPFI-GOTSBHOMSA-N 2 2 395.547 3.641 20 0 GHADLP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)c1 ZINC000414932286 852454899 /nfs/dbraw/zinc/45/48/99/852454899.db2.gz CRVFQINICRJUSD-KSFYIVLOSA-N 2 2 377.488 3.855 20 0 GHADLP CCn1c(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nc2c1cccc2F ZINC000489605361 852481739 /nfs/dbraw/zinc/48/17/39/852481739.db2.gz OKYHBKYYYMBBHR-IRXDYDNUSA-N 2 2 388.531 3.517 20 0 GHADLP CCC[NH+]1CCC(NC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1 ZINC000425672547 852574611 /nfs/dbraw/zinc/57/46/11/852574611.db2.gz KRHNFDYLVGMEJO-UHFFFAOYSA-N 2 2 381.524 3.882 20 0 GHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cccc(F)c3Cl)CC2)C[C@H](C)O1 ZINC000516486977 852632684 /nfs/dbraw/zinc/63/26/84/852632684.db2.gz QLXWSSXDRVHVPR-IYBDPMFKSA-N 2 2 384.923 3.569 20 0 GHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cccc(F)c3Cl)CC2)C[C@H](C)O1 ZINC000516486977 852632691 /nfs/dbraw/zinc/63/26/91/852632691.db2.gz QLXWSSXDRVHVPR-IYBDPMFKSA-N 2 2 384.923 3.569 20 0 GHADLP C[C@H]([NH3+])c1ccc(CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000414896270 852649369 /nfs/dbraw/zinc/64/93/69/852649369.db2.gz BFTWUBKQTBTIHM-KSZLIROESA-N 2 2 396.535 3.637 20 0 GHADLP C[C@H]([NH3+])c1ccc(CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000414896270 852649375 /nfs/dbraw/zinc/64/93/75/852649375.db2.gz BFTWUBKQTBTIHM-KSZLIROESA-N 2 2 396.535 3.637 20 0 GHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000490142208 852788732 /nfs/dbraw/zinc/78/87/32/852788732.db2.gz HEKKHPATNBRUQO-UHFFFAOYSA-N 2 2 399.538 3.953 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)cc1 ZINC000506343571 852821158 /nfs/dbraw/zinc/82/11/58/852821158.db2.gz ZYXVSWWVGJDLFQ-WIYYLYMNSA-N 2 2 396.535 3.513 20 0 GHADLP C[N@H+](CCOc1cccc(C(C)(C)C)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000506470711 853222007 /nfs/dbraw/zinc/22/20/07/853222007.db2.gz AZDXPLOIQMDFCZ-UHFFFAOYSA-N 2 2 384.568 3.656 20 0 GHADLP C[N@@H+](CCOc1cccc(C(C)(C)C)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000506470711 853222016 /nfs/dbraw/zinc/22/20/16/853222016.db2.gz AZDXPLOIQMDFCZ-UHFFFAOYSA-N 2 2 384.568 3.656 20 0 GHADLP c1ccc(N2CCC[C@@]3(C2)C[NH+](C2C[C@H]4CC[C@@H](C2)[N@H+]4CC2CC2)CCO3)cc1 ZINC001167987273 853234988 /nfs/dbraw/zinc/23/49/88/853234988.db2.gz AFOSEHDMKUXLHY-DVMHTGGUSA-N 2 2 395.591 3.763 20 0 GHADLP c1ccc(N2CCC[C@@]3(C2)C[NH+](C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)CCO3)cc1 ZINC001167987273 853234994 /nfs/dbraw/zinc/23/49/94/853234994.db2.gz AFOSEHDMKUXLHY-DVMHTGGUSA-N 2 2 395.591 3.763 20 0 GHADLP c1ccc(N2CCC[C@@]3(C2)C[N@H+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CCO3)cc1 ZINC001167987273 853234997 /nfs/dbraw/zinc/23/49/97/853234997.db2.gz AFOSEHDMKUXLHY-DVMHTGGUSA-N 2 2 395.591 3.763 20 0 GHADLP c1ccc(N2CCC[C@@]3(C2)C[N@@H+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CCO3)cc1 ZINC001167987273 853235003 /nfs/dbraw/zinc/23/50/03/853235003.db2.gz AFOSEHDMKUXLHY-DVMHTGGUSA-N 2 2 395.591 3.763 20 0 GHADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@H](C)c3nnnn3C3CCCCC3)C1)CCCC2 ZINC000329943171 862445218 /nfs/dbraw/zinc/44/52/18/862445218.db2.gz HOXAKAPYOPSCRT-QAPCUYQASA-N 2 2 383.544 3.570 20 0 GHADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@H](C)c3nnnn3C3CCCCC3)C1)CCCC2 ZINC000329943171 862445220 /nfs/dbraw/zinc/44/52/20/862445220.db2.gz HOXAKAPYOPSCRT-QAPCUYQASA-N 2 2 383.544 3.570 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000440844648 853689258 /nfs/dbraw/zinc/68/92/58/853689258.db2.gz NASUHXRJOAVXBB-UZKOGDIHSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000440844648 853689264 /nfs/dbraw/zinc/68/92/64/853689264.db2.gz NASUHXRJOAVXBB-UZKOGDIHSA-N 2 2 397.567 3.661 20 0 GHADLP CSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000439487122 853696994 /nfs/dbraw/zinc/69/69/94/853696994.db2.gz ZYDMYBDFWXGWMC-QGZVFWFLSA-N 2 2 399.560 3.530 20 0 GHADLP CC[C@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000571130384 853760517 /nfs/dbraw/zinc/76/05/17/853760517.db2.gz NOUYTCKEOYUUPD-WMZHIEFXSA-N 2 2 395.547 3.929 20 0 GHADLP CC[C@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000571130384 853760523 /nfs/dbraw/zinc/76/05/23/853760523.db2.gz NOUYTCKEOYUUPD-WMZHIEFXSA-N 2 2 395.547 3.929 20 0 GHADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520111992 853856064 /nfs/dbraw/zinc/85/60/64/853856064.db2.gz SCJYRIGWFVWLOD-GOSISDBHSA-N 2 2 378.451 3.862 20 0 GHADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520111992 853856069 /nfs/dbraw/zinc/85/60/69/853856069.db2.gz SCJYRIGWFVWLOD-GOSISDBHSA-N 2 2 378.451 3.862 20 0 GHADLP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000571562601 853949671 /nfs/dbraw/zinc/94/96/71/853949671.db2.gz QARGEGIVJAHHIN-ZDUSSCGKSA-N 2 2 389.849 3.619 20 0 GHADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+](C2CCC2)C1 ZINC000571710104 853996713 /nfs/dbraw/zinc/99/67/13/853996713.db2.gz GFHYINGYHVEQFD-AVRDEDQJSA-N 2 2 387.543 3.513 20 0 GHADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@H+](C2CCC2)C1 ZINC000571710104 853996717 /nfs/dbraw/zinc/99/67/17/853996717.db2.gz GFHYINGYHVEQFD-AVRDEDQJSA-N 2 2 387.543 3.513 20 0 GHADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+](C2CCC2)C1 ZINC000571710104 853996721 /nfs/dbraw/zinc/99/67/21/853996721.db2.gz GFHYINGYHVEQFD-AVRDEDQJSA-N 2 2 387.543 3.513 20 0 GHADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC[NH+](C2CCC2)C1 ZINC000571710104 853996725 /nfs/dbraw/zinc/99/67/25/853996725.db2.gz GFHYINGYHVEQFD-AVRDEDQJSA-N 2 2 387.543 3.513 20 0 GHADLP Cc1nc(NC(=O)[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)sc1C ZINC000441387194 854169417 /nfs/dbraw/zinc/16/94/17/854169417.db2.gz QVXVBADBRFLHQE-QFBILLFUSA-N 2 2 397.548 3.931 20 0 GHADLP O=C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000441403903 854200166 /nfs/dbraw/zinc/20/01/66/854200166.db2.gz GYBCWQYSWMSJHZ-OFNKIYASSA-N 2 2 395.591 3.563 20 0 GHADLP O=C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000441403903 854200173 /nfs/dbraw/zinc/20/01/73/854200173.db2.gz GYBCWQYSWMSJHZ-OFNKIYASSA-N 2 2 395.591 3.563 20 0 GHADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000441403903 854200182 /nfs/dbraw/zinc/20/01/82/854200182.db2.gz GYBCWQYSWMSJHZ-OFNKIYASSA-N 2 2 395.591 3.563 20 0 GHADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000441403903 854200193 /nfs/dbraw/zinc/20/01/93/854200193.db2.gz GYBCWQYSWMSJHZ-OFNKIYASSA-N 2 2 395.591 3.563 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2)C1 ZINC000588275978 854266351 /nfs/dbraw/zinc/26/63/51/854266351.db2.gz BCPLCSKHMZNHDT-SFHVURJKSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2)C1 ZINC000588275978 854266358 /nfs/dbraw/zinc/26/63/58/854266358.db2.gz BCPLCSKHMZNHDT-SFHVURJKSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000588276413 854266525 /nfs/dbraw/zinc/26/65/25/854266525.db2.gz VJOGFNRMPRGMJJ-GOSISDBHSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000588276413 854266529 /nfs/dbraw/zinc/26/65/29/854266529.db2.gz VJOGFNRMPRGMJJ-GOSISDBHSA-N 2 2 395.551 3.873 20 0 GHADLP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000588290659 854275849 /nfs/dbraw/zinc/27/58/49/854275849.db2.gz IMPCBPURQIQJOC-UHFFFAOYSA-N 2 2 395.551 3.875 20 0 GHADLP CC(C)n1c(Sc2nc3ccccc3n3c[nH+]cc23)nnc1C1CC[NH2+]CC1 ZINC000623980638 862564342 /nfs/dbraw/zinc/56/43/42/862564342.db2.gz NZVUQACFKHOSPM-UHFFFAOYSA-N 2 2 393.520 3.673 20 0 GHADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000328650297 854489976 /nfs/dbraw/zinc/48/99/76/854489976.db2.gz JBYCSHGRNAXYAR-HKUYNNGSSA-N 2 2 380.536 3.988 20 0 GHADLP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000328650297 854489980 /nfs/dbraw/zinc/48/99/80/854489980.db2.gz JBYCSHGRNAXYAR-HKUYNNGSSA-N 2 2 380.536 3.988 20 0 GHADLP COc1c(Br)cccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000481993197 862587767 /nfs/dbraw/zinc/58/77/67/862587767.db2.gz NEPPZOGOUIVNAY-RDTXWAMCSA-N 2 2 379.342 3.906 20 0 GHADLP COc1c(Br)cccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000481993197 862587773 /nfs/dbraw/zinc/58/77/73/862587773.db2.gz NEPPZOGOUIVNAY-RDTXWAMCSA-N 2 2 379.342 3.906 20 0 GHADLP COc1c(Br)cccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000481993197 862587787 /nfs/dbraw/zinc/58/77/87/862587787.db2.gz NEPPZOGOUIVNAY-RDTXWAMCSA-N 2 2 379.342 3.906 20 0 GHADLP COc1c(Br)cccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000481993197 862587798 /nfs/dbraw/zinc/58/77/98/862587798.db2.gz NEPPZOGOUIVNAY-RDTXWAMCSA-N 2 2 379.342 3.906 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000074319853 854741761 /nfs/dbraw/zinc/74/17/61/854741761.db2.gz BYQYFXYMZMXYSD-KRWDZBQOSA-N 2 2 375.557 3.849 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000074319853 854741763 /nfs/dbraw/zinc/74/17/63/854741763.db2.gz BYQYFXYMZMXYSD-KRWDZBQOSA-N 2 2 375.557 3.849 20 0 GHADLP Cc1ccccc1[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001128010891 854799836 /nfs/dbraw/zinc/79/98/36/854799836.db2.gz JQWMMROENSQTOJ-PMOQBDJRSA-N 2 2 385.596 3.894 20 0 GHADLP Cc1ccccc1[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001128010891 854799838 /nfs/dbraw/zinc/79/98/38/854799838.db2.gz JQWMMROENSQTOJ-PMOQBDJRSA-N 2 2 385.596 3.894 20 0 GHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441447750 854915224 /nfs/dbraw/zinc/91/52/24/854915224.db2.gz NWZGCVDPIQHDSH-FQEVSTJZSA-N 2 2 389.559 3.761 20 0 GHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441447750 854915228 /nfs/dbraw/zinc/91/52/28/854915228.db2.gz NWZGCVDPIQHDSH-FQEVSTJZSA-N 2 2 389.559 3.761 20 0 GHADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000623655815 855072833 /nfs/dbraw/zinc/07/28/33/855072833.db2.gz GCYMOHOLHZBDRW-AWEZNQCLSA-N 2 2 377.330 3.661 20 0 GHADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000623655815 855072839 /nfs/dbraw/zinc/07/28/39/855072839.db2.gz GCYMOHOLHZBDRW-AWEZNQCLSA-N 2 2 377.330 3.661 20 0 GHADLP O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536369169 855152222 /nfs/dbraw/zinc/15/22/22/855152222.db2.gz GSQXOFYWZYGBAG-OAHLLOKOSA-N 2 2 396.318 3.705 20 0 GHADLP [NH3+]CCCOC1CC[NH+](Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000567872313 862661765 /nfs/dbraw/zinc/66/17/65/862661765.db2.gz GQDPCTDWORDXMQ-UHFFFAOYSA-N 2 2 395.263 3.798 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000330252885 862695820 /nfs/dbraw/zinc/69/58/20/862695820.db2.gz IPVIXZLGXOSDKT-TZIWHRDSSA-N 2 2 396.535 3.742 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000330252885 862695830 /nfs/dbraw/zinc/69/58/30/862695830.db2.gz IPVIXZLGXOSDKT-TZIWHRDSSA-N 2 2 396.535 3.742 20 0 GHADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)nc[nH+]1 ZINC000474719881 855796557 /nfs/dbraw/zinc/79/65/57/855796557.db2.gz NHHAAXBHOGAJCY-LMPOIIKSSA-N 2 2 385.478 3.834 20 0 GHADLP O=C1[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCN1Cc1ccccc1 ZINC000760830401 855990402 /nfs/dbraw/zinc/99/04/02/855990402.db2.gz LQLOZFDAMGENIF-XZOQPEGZSA-N 2 2 383.580 3.766 20 0 GHADLP O=C1[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCN1Cc1ccccc1 ZINC000760830401 855990405 /nfs/dbraw/zinc/99/04/05/855990405.db2.gz LQLOZFDAMGENIF-XZOQPEGZSA-N 2 2 383.580 3.766 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000181115885 862759002 /nfs/dbraw/zinc/75/90/02/862759002.db2.gz UXPVDTSKENRGBG-JOCHJYFZSA-N 2 2 396.922 3.764 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000181115885 862759010 /nfs/dbraw/zinc/75/90/10/862759010.db2.gz UXPVDTSKENRGBG-JOCHJYFZSA-N 2 2 396.922 3.764 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000499425594 856134015 /nfs/dbraw/zinc/13/40/15/856134015.db2.gz CXJBWPJYCBLXHQ-WOJBJXKFSA-N 2 2 388.515 3.666 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000499425594 856134020 /nfs/dbraw/zinc/13/40/20/856134020.db2.gz CXJBWPJYCBLXHQ-WOJBJXKFSA-N 2 2 388.515 3.666 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)ccn12 ZINC000573385033 856134042 /nfs/dbraw/zinc/13/40/42/856134042.db2.gz MWVSMNLVGPPWMA-UWJYYQICSA-N 2 2 376.504 3.768 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)ccn12 ZINC000573385033 856134055 /nfs/dbraw/zinc/13/40/55/856134055.db2.gz MWVSMNLVGPPWMA-UWJYYQICSA-N 2 2 376.504 3.768 20 0 GHADLP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccco1 ZINC000485245352 856258028 /nfs/dbraw/zinc/25/80/28/856258028.db2.gz MMDSAFKHOPGPKC-CRAIPNDOSA-N 2 2 399.470 3.533 20 0 GHADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(Br)cc3F)CC2)C[C@@H](C)O1 ZINC000060368476 856281923 /nfs/dbraw/zinc/28/19/23/856281923.db2.gz DKTVNZAJNLHWNB-HUUCEWRRSA-N 2 2 399.348 3.909 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000665249937 856878753 /nfs/dbraw/zinc/87/87/53/856878753.db2.gz BVLFUIGMYYIAIJ-CDNPAEQRSA-N 2 2 390.531 3.795 20 0 GHADLP Cc1ccccc1[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000465921155 857003557 /nfs/dbraw/zinc/00/35/57/857003557.db2.gz KMMVLWHCBQCEDV-QFIPXVFZSA-N 2 2 398.595 3.696 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057153193 857154402 /nfs/dbraw/zinc/15/44/02/857154402.db2.gz KMWXRLAZCFBXFH-IBGZPJMESA-N 2 2 398.576 3.980 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057153193 857154406 /nfs/dbraw/zinc/15/44/06/857154406.db2.gz KMWXRLAZCFBXFH-IBGZPJMESA-N 2 2 398.576 3.980 20 0 GHADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Oc2ccccc2)cc1 ZINC000675885489 857660085 /nfs/dbraw/zinc/66/00/85/857660085.db2.gz CIARTWAMJNMBPA-UNMCSNQZSA-N 2 2 395.547 3.536 20 0 GHADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000675918226 857665313 /nfs/dbraw/zinc/66/53/13/857665313.db2.gz FJWQSWBRGBMNSL-AUSIDOKSSA-N 3 2 392.547 3.995 20 0 GHADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000675920515 857665324 /nfs/dbraw/zinc/66/53/24/857665324.db2.gz SLMQCJXUHXRLNN-LAUBAEHRSA-N 2 2 392.503 3.719 20 0 GHADLP COc1ccc(NC(=O)CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1Cl ZINC000574379507 857804120 /nfs/dbraw/zinc/80/41/20/857804120.db2.gz NGMHTDBQXFGVRC-UHFFFAOYSA-N 2 2 388.899 3.649 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668638699 857871927 /nfs/dbraw/zinc/87/19/27/857871927.db2.gz ARLWQGIPNJEKRA-FPOVZHCZSA-N 2 2 391.987 3.754 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668638699 857871936 /nfs/dbraw/zinc/87/19/36/857871936.db2.gz ARLWQGIPNJEKRA-FPOVZHCZSA-N 2 2 391.987 3.754 20 0 GHADLP C[C@H](CCC1CCCCC1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466027712 857884843 /nfs/dbraw/zinc/88/48/43/857884843.db2.gz VNFPSGCKILXLFD-HXUWFJFHSA-N 2 2 392.632 3.985 20 0 GHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000671757458 858003762 /nfs/dbraw/zinc/00/37/62/858003762.db2.gz KVXWCLGICUQCLF-CQSZACIVSA-N 2 2 381.480 3.632 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543061105 858136515 /nfs/dbraw/zinc/13/65/15/858136515.db2.gz OMFINYZYWMELBM-ZWKOTPCHSA-N 2 2 386.515 3.780 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000543061104 858136775 /nfs/dbraw/zinc/13/67/75/858136775.db2.gz OMFINYZYWMELBM-ROUUACIJSA-N 2 2 386.515 3.780 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000443008608 858308152 /nfs/dbraw/zinc/30/81/52/858308152.db2.gz GTUHLZMIBKBDGP-HXUWFJFHSA-N 2 2 378.438 3.523 20 0 GHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000443008608 858308157 /nfs/dbraw/zinc/30/81/57/858308157.db2.gz GTUHLZMIBKBDGP-HXUWFJFHSA-N 2 2 378.438 3.523 20 0 GHADLP Cc1ccc([C@@H]2CCCN2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000466146351 858469959 /nfs/dbraw/zinc/46/99/59/858469959.db2.gz ODZGIPMQGBBENW-QFIPXVFZSA-N 2 2 398.595 3.792 20 0 GHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ncc(C(C)(C)C)s3)CC2)C[C@@H](C)O1 ZINC000522036477 858554338 /nfs/dbraw/zinc/55/43/38/858554338.db2.gz VLPFYJJTYOFFOK-IAGOWNOFSA-N 2 2 395.613 3.531 20 0 GHADLP COc1ccccc1-n1nccc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000280848111 858731933 /nfs/dbraw/zinc/73/19/33/858731933.db2.gz CJFGSCFEATWACT-SFHVURJKSA-N 2 2 391.519 3.591 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000171120361 863064705 /nfs/dbraw/zinc/06/47/05/863064705.db2.gz PXHHZDBQMVINTH-JKSBSHDWSA-N 2 2 383.511 3.620 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000171120361 863064720 /nfs/dbraw/zinc/06/47/20/863064720.db2.gz PXHHZDBQMVINTH-JKSBSHDWSA-N 2 2 383.511 3.620 20 0 GHADLP C[NH+](C)CC1(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CCCC1 ZINC000185173947 859052492 /nfs/dbraw/zinc/05/24/92/859052492.db2.gz XIPXJSCXBVZUTR-RTWAWAEBSA-N 2 2 395.551 3.533 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1)C1CC1 ZINC000116642578 859075298 /nfs/dbraw/zinc/07/52/98/859075298.db2.gz STMHKEBHPJGPOA-UHFFFAOYSA-N 2 2 393.531 3.755 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1)C1CC1 ZINC000116642578 859075307 /nfs/dbraw/zinc/07/53/07/859075307.db2.gz STMHKEBHPJGPOA-UHFFFAOYSA-N 2 2 393.531 3.755 20 0 GHADLP CC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1OCC(=O)N(C)C ZINC000483149179 859181828 /nfs/dbraw/zinc/18/18/28/859181828.db2.gz NFAHGWVTROGHIZ-OAQYLSRUSA-N 2 2 392.503 3.580 20 0 GHADLP Clc1ccc(N2CCOCC2)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000466360923 859224572 /nfs/dbraw/zinc/22/45/72/859224572.db2.gz LJLCURFZUVVVFL-UHFFFAOYSA-N 2 2 382.895 3.652 20 0 GHADLP Cc1ccc(-c2ccsc2C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601479606 859292726 /nfs/dbraw/zinc/29/27/26/859292726.db2.gz YEHRTARBDSVEGB-FQEVSTJZSA-N 2 2 397.588 3.964 20 0 GHADLP Cc1ccc(-c2ccsc2C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601479606 859292736 /nfs/dbraw/zinc/29/27/36/859292736.db2.gz YEHRTARBDSVEGB-FQEVSTJZSA-N 2 2 397.588 3.964 20 0 GHADLP Cc1ccc([C@@H]2CCCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000051761637 859313355 /nfs/dbraw/zinc/31/33/55/859313355.db2.gz JUJMSGVYRCEAQI-QHCPKHFHSA-N 2 2 398.595 3.709 20 0 GHADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429423269 859337818 /nfs/dbraw/zinc/33/78/18/859337818.db2.gz ACESZAJMQFGWKD-UGKGYDQZSA-N 2 2 396.531 3.617 20 0 GHADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429423269 859337824 /nfs/dbraw/zinc/33/78/24/859337824.db2.gz ACESZAJMQFGWKD-UGKGYDQZSA-N 2 2 396.531 3.617 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)c(F)c1 ZINC000597223308 859374823 /nfs/dbraw/zinc/37/48/23/859374823.db2.gz UYLJOFNYBUOLQP-KRWDZBQOSA-N 2 2 384.495 3.798 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](CC(C)(C)C)c3ccc(F)cc3)CC[C@H]21 ZINC000483501406 859413493 /nfs/dbraw/zinc/41/34/93/859413493.db2.gz IWGSZLOWDUVOQO-HMXCVIKNSA-N 2 2 389.559 3.835 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](CC(C)(C)C)c3ccc(F)cc3)CC[C@H]21 ZINC000483501406 859413500 /nfs/dbraw/zinc/41/35/00/859413500.db2.gz IWGSZLOWDUVOQO-HMXCVIKNSA-N 2 2 389.559 3.835 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](CC(C)(C)C)c3ccc(F)cc3)CC[C@H]21 ZINC000483501406 859413508 /nfs/dbraw/zinc/41/35/08/859413508.db2.gz IWGSZLOWDUVOQO-HMXCVIKNSA-N 2 2 389.559 3.835 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](CC(C)(C)C)c3ccc(F)cc3)CC[C@H]21 ZINC000483501406 859413513 /nfs/dbraw/zinc/41/35/13/859413513.db2.gz IWGSZLOWDUVOQO-HMXCVIKNSA-N 2 2 389.559 3.835 20 0 GHADLP CCn1c2ccc(Br)cc2nc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000483505457 859416242 /nfs/dbraw/zinc/41/62/42/859416242.db2.gz SYHDTFTXQOEALK-HUUCEWRRSA-N 2 2 377.330 3.535 20 0 GHADLP CCn1c2ccc(Br)cc2nc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000483505457 859416247 /nfs/dbraw/zinc/41/62/47/859416247.db2.gz SYHDTFTXQOEALK-HUUCEWRRSA-N 2 2 377.330 3.535 20 0 GHADLP CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000483521310 859432671 /nfs/dbraw/zinc/43/26/71/859432671.db2.gz WBPFZYNCQZSYFG-UHFFFAOYSA-N 2 2 378.476 3.650 20 0 GHADLP CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000483521310 859432675 /nfs/dbraw/zinc/43/26/75/859432675.db2.gz WBPFZYNCQZSYFG-UHFFFAOYSA-N 2 2 378.476 3.650 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000114177767 859471485 /nfs/dbraw/zinc/47/14/85/859471485.db2.gz IXQUQAINYIOGTB-SFHVURJKSA-N 2 2 394.544 3.884 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000114177767 859471492 /nfs/dbraw/zinc/47/14/92/859471492.db2.gz IXQUQAINYIOGTB-SFHVURJKSA-N 2 2 394.544 3.884 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cnn(-c2ccccc2)c1 ZINC000764634297 859541241 /nfs/dbraw/zinc/54/12/41/859541241.db2.gz DJEMWQXHRSCQPP-LJQANCHMSA-N 2 2 376.504 3.555 20 0 GHADLP CC[C@H](C)[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000483750334 859589605 /nfs/dbraw/zinc/58/96/05/859589605.db2.gz UOVSALXFOQTMBL-PGRDOPGGSA-N 2 2 394.003 3.813 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]([C@H](C)c2ccccc2Cl)C2CC2)CC1 ZINC000114455362 859614059 /nfs/dbraw/zinc/61/40/59/859614059.db2.gz JVNAMYUOWTUXGC-MRXNPFEDSA-N 2 2 377.960 3.854 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]([C@H](C)c2ccccc2Cl)C2CC2)CC1 ZINC000114455362 859614061 /nfs/dbraw/zinc/61/40/61/859614061.db2.gz JVNAMYUOWTUXGC-MRXNPFEDSA-N 2 2 377.960 3.854 20 0 GHADLP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cnn1-c1ccccc1 ZINC000765090438 859776072 /nfs/dbraw/zinc/77/60/72/859776072.db2.gz SKESRYGINUABOR-LJQANCHMSA-N 2 2 390.531 3.864 20 0 GHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000765248516 859864343 /nfs/dbraw/zinc/86/43/43/859864343.db2.gz FCTJHQKMYDIQNN-LJQANCHMSA-N 2 2 388.943 3.846 20 0 GHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(OCc2nccn2C)cc1 ZINC000765248267 859864528 /nfs/dbraw/zinc/86/45/28/859864528.db2.gz CWVZYYCLYBVBRU-YLJYHZDGSA-N 2 2 381.524 3.961 20 0 GHADLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1OCC(=O)N(C)C ZINC000765250378 859865531 /nfs/dbraw/zinc/86/55/31/859865531.db2.gz LQSYLKIAEZDLNS-QUCCMNQESA-N 2 2 386.540 3.506 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000484178709 859866280 /nfs/dbraw/zinc/86/62/80/859866280.db2.gz XGVRBSVPCGJFCK-JXFKEZNVSA-N 2 2 389.337 3.737 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000484178709 859866287 /nfs/dbraw/zinc/86/62/87/859866287.db2.gz XGVRBSVPCGJFCK-JXFKEZNVSA-N 2 2 389.337 3.737 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000765251449 859866479 /nfs/dbraw/zinc/86/64/79/859866479.db2.gz FTIFFUJRFKVBHO-HUUCEWRRSA-N 2 2 382.346 3.630 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1cccs1 ZINC000474338455 859866736 /nfs/dbraw/zinc/86/67/36/859866736.db2.gz RWDYXXHFMKGMCA-MOPGFXCFSA-N 2 2 389.540 3.661 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1cccs1 ZINC000474338455 859866752 /nfs/dbraw/zinc/86/67/52/859866752.db2.gz RWDYXXHFMKGMCA-MOPGFXCFSA-N 2 2 389.540 3.661 20 0 GHADLP C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000765254209 859872525 /nfs/dbraw/zinc/87/25/25/859872525.db2.gz XPJWZXVHEKQLKI-LSDHHAIUSA-N 2 2 387.446 3.766 20 0 GHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428866045 860065004 /nfs/dbraw/zinc/06/50/04/860065004.db2.gz XVESELAZQDGCBX-NVXWUHKLSA-N 2 2 384.467 3.740 20 0 GHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428866045 860065021 /nfs/dbraw/zinc/06/50/21/860065021.db2.gz XVESELAZQDGCBX-NVXWUHKLSA-N 2 2 384.467 3.740 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCN1c1ccc(Cl)cc1Cl ZINC000474428202 860087345 /nfs/dbraw/zinc/08/73/45/860087345.db2.gz QKDWPEBHYXBGBZ-YQQAZPJKSA-N 2 2 382.335 3.705 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCN1c1ccc(Cl)cc1Cl ZINC000474428202 860087353 /nfs/dbraw/zinc/08/73/53/860087353.db2.gz QKDWPEBHYXBGBZ-YQQAZPJKSA-N 2 2 382.335 3.705 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cn2sc3ccccc3c2=O)CC1 ZINC000727423678 860090051 /nfs/dbraw/zinc/09/00/51/860090051.db2.gz XGMMCPURPGAGGH-UHFFFAOYSA-N 2 2 381.545 3.865 20 0 GHADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cn2sc3ccccc3c2=O)CC1 ZINC000727423678 860090063 /nfs/dbraw/zinc/09/00/63/860090063.db2.gz XGMMCPURPGAGGH-UHFFFAOYSA-N 2 2 381.545 3.865 20 0 GHADLP COc1ccc(OC)c([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000508978680 860381163 /nfs/dbraw/zinc/38/11/63/860381163.db2.gz PGZNVRCRGJUPDV-LJQANCHMSA-N 2 2 383.536 3.567 20 0 GHADLP [NH3+]Cc1ccccc1NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000904667266 860557871 /nfs/dbraw/zinc/55/78/71/860557871.db2.gz ZLYMKHSYGWCJAQ-GOSISDBHSA-N 2 2 390.890 3.896 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cncc(C(F)(F)F)c3)C2)ccn1 ZINC000856584383 881553368 /nfs/dbraw/zinc/55/33/68/881553368.db2.gz IXIWTGDNWYFQNX-LJQANCHMSA-N 2 2 394.441 3.600 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cncc(C(F)(F)F)c3)C2)ccn1 ZINC000856584383 881553376 /nfs/dbraw/zinc/55/33/76/881553376.db2.gz IXIWTGDNWYFQNX-LJQANCHMSA-N 2 2 394.441 3.600 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cncc(C(F)(F)F)c3)C2)ccn1 ZINC000856584383 881553385 /nfs/dbraw/zinc/55/33/85/881553385.db2.gz IXIWTGDNWYFQNX-LJQANCHMSA-N 2 2 394.441 3.600 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cncc(C(F)(F)F)c3)C2)ccn1 ZINC000856584383 881553393 /nfs/dbraw/zinc/55/33/93/881553393.db2.gz IXIWTGDNWYFQNX-LJQANCHMSA-N 2 2 394.441 3.600 20 0 GHADLP Cc1cccc(N2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001168040218 860591352 /nfs/dbraw/zinc/59/13/52/860591352.db2.gz LHIIHBDYOFDRRY-IUTQVRIDSA-N 2 2 378.564 3.954 20 0 GHADLP Cc1cccc(N2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001168040218 860591357 /nfs/dbraw/zinc/59/13/57/860591357.db2.gz LHIIHBDYOFDRRY-IUTQVRIDSA-N 2 2 378.564 3.954 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncc(-c4cccs4)o3)C2)ccn1 ZINC000856592666 881566731 /nfs/dbraw/zinc/56/67/31/881566731.db2.gz VPBQZJPLWXLVIV-SFHVURJKSA-N 2 2 398.532 3.903 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncc(-c4cccs4)o3)C2)ccn1 ZINC000856592666 881566737 /nfs/dbraw/zinc/56/67/37/881566737.db2.gz VPBQZJPLWXLVIV-SFHVURJKSA-N 2 2 398.532 3.903 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ncc(-c4cccs4)o3)C2)ccn1 ZINC000856592666 881566743 /nfs/dbraw/zinc/56/67/43/881566743.db2.gz VPBQZJPLWXLVIV-SFHVURJKSA-N 2 2 398.532 3.903 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ncc(-c4cccs4)o3)C2)ccn1 ZINC000856592666 881566748 /nfs/dbraw/zinc/56/67/48/881566748.db2.gz VPBQZJPLWXLVIV-SFHVURJKSA-N 2 2 398.532 3.903 20 0 GHADLP CCCN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CC[N@H+](C)C1 ZINC000646326514 860787589 /nfs/dbraw/zinc/78/75/89/860787589.db2.gz KXGTXRLBEQAUCY-GOSISDBHSA-N 2 2 379.508 3.550 20 0 GHADLP CCCN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CC[N@@H+](C)C1 ZINC000646326514 860787597 /nfs/dbraw/zinc/78/75/97/860787597.db2.gz KXGTXRLBEQAUCY-GOSISDBHSA-N 2 2 379.508 3.550 20 0 GHADLP C[C@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600092893 860979004 /nfs/dbraw/zinc/97/90/04/860979004.db2.gz PTDPUAVNMFBBCU-GOSISDBHSA-N 2 2 389.503 3.549 20 0 GHADLP CCOC(=O)c1cccc(C[N@H+](CC)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000600119911 861032628 /nfs/dbraw/zinc/03/26/28/861032628.db2.gz FITMWPXZLBVKAY-HXUWFJFHSA-N 2 2 381.520 3.602 20 0 GHADLP CCOC(=O)c1cccc(C[N@@H+](CC)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000600119911 861032638 /nfs/dbraw/zinc/03/26/38/861032638.db2.gz FITMWPXZLBVKAY-HXUWFJFHSA-N 2 2 381.520 3.602 20 0 GHADLP CCOC(=O)c1cccc(C[NH+](CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000600119911 861032655 /nfs/dbraw/zinc/03/26/55/861032655.db2.gz FITMWPXZLBVKAY-HXUWFJFHSA-N 2 2 381.520 3.602 20 0 GHADLP CCOC(=O)c1cccc(C[NH+](CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000600119911 861032670 /nfs/dbraw/zinc/03/26/70/861032670.db2.gz FITMWPXZLBVKAY-HXUWFJFHSA-N 2 2 381.520 3.602 20 0 GHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2ccccc2c1 ZINC000177272252 861178733 /nfs/dbraw/zinc/17/87/33/861178733.db2.gz DERQXXNZGQORNC-LJQANCHMSA-N 2 2 388.515 3.624 20 0 GHADLP COc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(OCc2cccnc2)c1 ZINC000443984387 863093393 /nfs/dbraw/zinc/09/33/93/863093393.db2.gz IXSGIDYXOWBRIX-UHFFFAOYSA-N 2 2 381.520 3.633 20 0 GHADLP Cc1cn2cc(NC(=O)N3CCC[N@H+](Cc4ccccc4C)CC3)ccc2[nH+]1 ZINC000606570455 863711880 /nfs/dbraw/zinc/71/18/80/863711880.db2.gz VGMCXVCMPHIOON-UHFFFAOYSA-N 2 2 377.492 3.691 20 0 GHADLP Cc1cn2cc(NC(=O)N3CCC[N@@H+](Cc4ccccc4C)CC3)ccc2[nH+]1 ZINC000606570455 863711886 /nfs/dbraw/zinc/71/18/86/863711886.db2.gz VGMCXVCMPHIOON-UHFFFAOYSA-N 2 2 377.492 3.691 20 0 GHADLP CN(CCCn1cc[nH+]c1)C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000667609366 863902780 /nfs/dbraw/zinc/90/27/80/863902780.db2.gz AUCQSSVUQPUSBN-UHFFFAOYSA-N 2 2 398.536 3.641 20 0 GHADLP CN(CCCn1cc[nH+]c1)C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000667609366 863902795 /nfs/dbraw/zinc/90/27/95/863902795.db2.gz AUCQSSVUQPUSBN-UHFFFAOYSA-N 2 2 398.536 3.641 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1C ZINC000734271498 864109480 /nfs/dbraw/zinc/10/94/80/864109480.db2.gz ARJBVNHPRCERLD-NRFANRHFSA-N 2 2 396.535 3.733 20 0 GHADLP O[C@@H](c1ccccc1)C1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000792862510 881732571 /nfs/dbraw/zinc/73/25/71/881732571.db2.gz LLNJBKYJBHYDSI-RPBOFIJWSA-N 2 2 394.559 3.723 20 0 GHADLP O[C@@H](c1ccccc1)C1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000792862510 881732588 /nfs/dbraw/zinc/73/25/88/881732588.db2.gz LLNJBKYJBHYDSI-RPBOFIJWSA-N 2 2 394.559 3.723 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000607279828 864236183 /nfs/dbraw/zinc/23/61/83/864236183.db2.gz OWPBCPGWVHVDSN-RKVPGOIHSA-N 2 2 381.923 3.605 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000475115380 864238078 /nfs/dbraw/zinc/23/80/78/864238078.db2.gz CEFSAFYZDAVZHH-PBHICJAKSA-N 2 2 398.457 3.575 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000475115380 864238091 /nfs/dbraw/zinc/23/80/91/864238091.db2.gz CEFSAFYZDAVZHH-PBHICJAKSA-N 2 2 398.457 3.575 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000429537317 881772948 /nfs/dbraw/zinc/77/29/48/881772948.db2.gz MASYOQBYQQLYNO-RBUKOAKNSA-N 2 2 397.485 3.613 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000429537317 881772960 /nfs/dbraw/zinc/77/29/60/881772960.db2.gz MASYOQBYQQLYNO-RBUKOAKNSA-N 2 2 397.485 3.613 20 0 GHADLP CN(C(=O)Nc1cc(F)cc(F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165544995 864683269 /nfs/dbraw/zinc/68/32/69/864683269.db2.gz NVYHGUNXSCJHFN-PMACEKPBSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1cc(F)cc(F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165544995 864683277 /nfs/dbraw/zinc/68/32/77/864683277.db2.gz NVYHGUNXSCJHFN-PMACEKPBSA-N 2 2 394.510 3.766 20 0 GHADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000165994828 864706855 /nfs/dbraw/zinc/70/68/55/864706855.db2.gz SSGIKDMCIOUUCG-GHTZIAJQSA-N 2 2 384.520 3.818 20 0 GHADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000165994828 864706863 /nfs/dbraw/zinc/70/68/63/864706863.db2.gz SSGIKDMCIOUUCG-GHTZIAJQSA-N 2 2 384.520 3.818 20 0 GHADLP c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000166215328 864724549 /nfs/dbraw/zinc/72/45/49/864724549.db2.gz GVUGNHAPRMKMJI-ISKFKSNPSA-N 2 2 380.532 3.776 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(F)c(F)c1F ZINC000667683035 864772780 /nfs/dbraw/zinc/77/27/80/864772780.db2.gz CQYWMBVXXUEPLM-UHFFFAOYSA-N 3 2 383.502 3.732 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(F)c(F)c1F ZINC000667683035 864772787 /nfs/dbraw/zinc/77/27/87/864772787.db2.gz CQYWMBVXXUEPLM-UHFFFAOYSA-N 3 2 383.502 3.732 20 0 GHADLP CCOCc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1OC ZINC000475332984 864823068 /nfs/dbraw/zinc/82/30/68/864823068.db2.gz RHZSQEYUDHJLQG-ZRZAMGCNSA-N 2 2 380.532 3.796 20 0 GHADLP CCOCc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1OC ZINC000475332984 864823082 /nfs/dbraw/zinc/82/30/82/864823082.db2.gz RHZSQEYUDHJLQG-ZRZAMGCNSA-N 2 2 380.532 3.796 20 0 GHADLP CCOCc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1OC ZINC000475332984 864823099 /nfs/dbraw/zinc/82/30/99/864823099.db2.gz RHZSQEYUDHJLQG-ZRZAMGCNSA-N 2 2 380.532 3.796 20 0 GHADLP CCOCc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1OC ZINC000475332984 864823111 /nfs/dbraw/zinc/82/31/11/864823111.db2.gz RHZSQEYUDHJLQG-ZRZAMGCNSA-N 2 2 380.532 3.796 20 0 GHADLP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475333889 864825503 /nfs/dbraw/zinc/82/55/03/864825503.db2.gz JQVUISNZDJOXJT-BGYRXZFFSA-N 2 2 376.479 3.780 20 0 GHADLP Fc1ccccc1-c1n[nH]cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475333889 864825521 /nfs/dbraw/zinc/82/55/21/864825521.db2.gz JQVUISNZDJOXJT-BGYRXZFFSA-N 2 2 376.479 3.780 20 0 GHADLP Fc1ccccc1-c1n[nH]cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475333889 864825538 /nfs/dbraw/zinc/82/55/38/864825538.db2.gz JQVUISNZDJOXJT-BGYRXZFFSA-N 2 2 376.479 3.780 20 0 GHADLP Fc1ccccc1-c1n[nH]cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475333889 864825556 /nfs/dbraw/zinc/82/55/56/864825556.db2.gz JQVUISNZDJOXJT-BGYRXZFFSA-N 2 2 376.479 3.780 20 0 GHADLP CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)o2)cc1 ZINC000608133353 865047773 /nfs/dbraw/zinc/04/77/73/865047773.db2.gz RWYYPPFDHHXVIQ-NRFANRHFSA-N 2 2 395.547 3.750 20 0 GHADLP CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)o2)cc1 ZINC000608133353 865047781 /nfs/dbraw/zinc/04/77/81/865047781.db2.gz RWYYPPFDHHXVIQ-NRFANRHFSA-N 2 2 395.547 3.750 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccc(N5CCCC5)nc4)C3)C2)cc1 ZINC000554866517 865058870 /nfs/dbraw/zinc/05/88/70/865058870.db2.gz ADCVVCHSTCQNNT-XMMPIXPASA-N 2 2 376.548 3.780 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccc(N5CCCC5)nc4)C3)C2)cc1 ZINC000554866517 865058883 /nfs/dbraw/zinc/05/88/83/865058883.db2.gz ADCVVCHSTCQNNT-XMMPIXPASA-N 2 2 376.548 3.780 20 0 GHADLP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccc(N5CCCC5)nc4)C3)C2)cc1 ZINC000554866517 865058899 /nfs/dbraw/zinc/05/88/99/865058899.db2.gz ADCVVCHSTCQNNT-XMMPIXPASA-N 2 2 376.548 3.780 20 0 GHADLP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccc(N5CCCC5)nc4)C3)C2)cc1 ZINC000554866517 865058913 /nfs/dbraw/zinc/05/89/13/865058913.db2.gz ADCVVCHSTCQNNT-XMMPIXPASA-N 2 2 376.548 3.780 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000667735469 865138845 /nfs/dbraw/zinc/13/88/45/865138845.db2.gz UOIDNOFAFKGWNF-ROUUACIJSA-N 2 2 376.863 3.505 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000667735469 865138852 /nfs/dbraw/zinc/13/88/52/865138852.db2.gz UOIDNOFAFKGWNF-ROUUACIJSA-N 2 2 376.863 3.505 20 0 GHADLP Brc1cccc2c(NC3CC[NH+](C[C@H]4CCOC4)CC3)cc[nH+]c12 ZINC000301295609 865268568 /nfs/dbraw/zinc/26/85/68/865268568.db2.gz XKUNDKQOKXLFSW-CQSZACIVSA-N 2 2 390.325 3.910 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccccc12 ZINC000480792847 865282716 /nfs/dbraw/zinc/28/27/16/865282716.db2.gz FBSLGJXWJGSSNK-GHTZIAJQSA-N 2 2 390.527 3.918 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c2ccccc12 ZINC000480792847 865282731 /nfs/dbraw/zinc/28/27/31/865282731.db2.gz FBSLGJXWJGSSNK-GHTZIAJQSA-N 2 2 390.527 3.918 20 0 GHADLP C[NH+]1CCC(CNC(=O)N2CCC(C3CCCC3)CC2)([NH+]2CCCCC2)CC1 ZINC000608718866 865589525 /nfs/dbraw/zinc/58/95/25/865589525.db2.gz ZHGMNMBVVZYPLE-UHFFFAOYSA-N 2 2 390.616 3.549 20 0 GHADLP O[C@](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)(c1ccccc1)C(F)(F)F ZINC000174342623 865751683 /nfs/dbraw/zinc/75/16/83/865751683.db2.gz UIIFVWXKWKPCCA-HXUWFJFHSA-N 2 2 378.438 3.691 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nc(C(F)F)nc4ccc(Cl)cc43)C2)CC1 ZINC000665700907 865760074 /nfs/dbraw/zinc/76/00/74/865760074.db2.gz OAYYLLCWKQWZPN-CYBMUJFWSA-N 2 2 395.885 3.801 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nc(C(F)F)nc4ccc(Cl)cc43)C2)CC1 ZINC000665700907 865760084 /nfs/dbraw/zinc/76/00/84/865760084.db2.gz OAYYLLCWKQWZPN-CYBMUJFWSA-N 2 2 395.885 3.801 20 0 GHADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000739855163 865802975 /nfs/dbraw/zinc/80/29/75/865802975.db2.gz XUSGNGCOKAPUHY-QFIPXVFZSA-N 2 2 381.520 3.591 20 0 GHADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000739855163 865802989 /nfs/dbraw/zinc/80/29/89/865802989.db2.gz XUSGNGCOKAPUHY-QFIPXVFZSA-N 2 2 381.520 3.591 20 0 GHADLP CCN1CC[NH+](C[C@H](C)CNc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000302654094 865867489 /nfs/dbraw/zinc/86/74/89/865867489.db2.gz KJXMRFMFJABVEI-OAHLLOKOSA-N 2 2 391.357 3.683 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NCc1ccccc1Cl ZINC000481176148 865927802 /nfs/dbraw/zinc/92/78/02/865927802.db2.gz XGZDNZUSXWJOQD-NPPFBWRTSA-N 2 2 399.966 3.845 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NCc1ccccc1Cl ZINC000481176148 865927817 /nfs/dbraw/zinc/92/78/17/865927817.db2.gz XGZDNZUSXWJOQD-NPPFBWRTSA-N 2 2 399.966 3.845 20 0 GHADLP CSc1cccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481181296 865940146 /nfs/dbraw/zinc/94/01/46/865940146.db2.gz YWIKICOFMNOWAP-DYESRHJHSA-N 2 2 383.561 3.847 20 0 GHADLP CSc1cccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481181296 865940151 /nfs/dbraw/zinc/94/01/51/865940151.db2.gz YWIKICOFMNOWAP-DYESRHJHSA-N 2 2 383.561 3.847 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc2c(c1)CCC2 ZINC000481193822 865982873 /nfs/dbraw/zinc/98/28/73/865982873.db2.gz UFOYARWGAAAYBG-LJQANCHMSA-N 2 2 380.532 3.737 20 0 GHADLP CC[NH+]1CCC(CCNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000153209918 866262210 /nfs/dbraw/zinc/26/22/10/866262210.db2.gz YINLDSJIWBBFHT-VXKWHMMOSA-N 2 2 395.551 3.533 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)COc1cccc2ccccc21 ZINC000552838564 866329935 /nfs/dbraw/zinc/32/99/35/866329935.db2.gz YGYHVVVVMJHHIU-LJQANCHMSA-N 2 2 391.446 3.694 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000534315801 866547996 /nfs/dbraw/zinc/54/79/96/866547996.db2.gz RIURZBUCUACUPH-INIZCTEOSA-N 2 2 389.569 3.724 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000534315801 866548023 /nfs/dbraw/zinc/54/80/23/866548023.db2.gz RIURZBUCUACUPH-INIZCTEOSA-N 2 2 389.569 3.724 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)[C@@H](C)C1CCCCC1 ZINC000544425170 882032869 /nfs/dbraw/zinc/03/28/69/882032869.db2.gz QLDMWOGLHMBZOH-HZPDHXFCSA-N 2 2 378.586 3.872 20 0 GHADLP Cc1cc(C)c(/C=C\C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1C ZINC000742011874 866978475 /nfs/dbraw/zinc/97/84/75/866978475.db2.gz SJAMQAZHLNFSLV-HJWRWDBZSA-N 2 2 383.580 3.692 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153767260 867067713 /nfs/dbraw/zinc/06/77/13/867067713.db2.gz VIERSAWIKPINAB-ZBFHGGJFSA-N 2 2 379.932 3.672 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000153767260 867067723 /nfs/dbraw/zinc/06/77/23/867067723.db2.gz VIERSAWIKPINAB-ZBFHGGJFSA-N 2 2 379.932 3.672 20 0 GHADLP COCCOc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000742378575 867272830 /nfs/dbraw/zinc/27/28/30/867272830.db2.gz VEUJVVGXUCYQIX-UHFFFAOYSA-N 2 2 383.536 3.536 20 0 GHADLP C/C(=C\C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000857162910 882069153 /nfs/dbraw/zinc/06/91/53/882069153.db2.gz RVVDZPSDYLSQOL-YBNLGUDHSA-N 2 2 389.609 3.947 20 0 GHADLP C/C(=C\C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000857162910 882069165 /nfs/dbraw/zinc/06/91/65/882069165.db2.gz RVVDZPSDYLSQOL-YBNLGUDHSA-N 2 2 389.609 3.947 20 0 GHADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000523444452 867324813 /nfs/dbraw/zinc/32/48/13/867324813.db2.gz ZWLWHUFIPQGDAP-REWPJTCUSA-N 2 2 383.580 3.764 20 0 GHADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000523444452 867324828 /nfs/dbraw/zinc/32/48/28/867324828.db2.gz ZWLWHUFIPQGDAP-REWPJTCUSA-N 2 2 383.580 3.764 20 0 GHADLP C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523449104 867331920 /nfs/dbraw/zinc/33/19/20/867331920.db2.gz XVENTWONENEERJ-GOSISDBHSA-N 2 2 395.522 3.657 20 0 GHADLP C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523449104 867331939 /nfs/dbraw/zinc/33/19/39/867331939.db2.gz XVENTWONENEERJ-GOSISDBHSA-N 2 2 395.522 3.657 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000553504417 867547592 /nfs/dbraw/zinc/54/75/92/867547592.db2.gz LQIOUSTWGRBPGS-ZJSXRUAMSA-N 2 2 391.559 3.774 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000920425121 882103246 /nfs/dbraw/zinc/10/32/46/882103246.db2.gz FBDIINNWRKFFJR-GOSISDBHSA-N 2 2 379.357 3.853 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000920426152 882105043 /nfs/dbraw/zinc/10/50/43/882105043.db2.gz WZRVYPQNYDNBRH-SFHVURJKSA-N 2 2 395.356 3.733 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC000743055822 867790575 /nfs/dbraw/zinc/79/05/75/867790575.db2.gz UQNMLVIOJINPOQ-QFIPXVFZSA-N 2 2 378.564 3.586 20 0 GHADLP CC[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccccc1OC ZINC000155181733 867792431 /nfs/dbraw/zinc/79/24/31/867792431.db2.gz NJUDKLQTGVPUKB-QFIPXVFZSA-N 2 2 384.520 3.647 20 0 GHADLP CC[N@H+](CCCn1cc[nH+]c1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000534956617 867831265 /nfs/dbraw/zinc/83/12/65/867831265.db2.gz TVXFGOCAFISBEW-UHFFFAOYSA-N 3 2 384.572 3.794 20 0 GHADLP CC[N@@H+](CCCn1cc[nH+]c1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000534956617 867831334 /nfs/dbraw/zinc/83/13/34/867831334.db2.gz TVXFGOCAFISBEW-UHFFFAOYSA-N 3 2 384.572 3.794 20 0 GHADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000479477824 867838105 /nfs/dbraw/zinc/83/81/05/867838105.db2.gz DTANUUPNTRAXSC-SEEUUAMPSA-N 2 2 384.490 3.841 20 0 GHADLP C[C@@H]1CC[N@@H+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000535051557 868041746 /nfs/dbraw/zinc/04/17/46/868041746.db2.gz INDSYBAUKONZGX-UEVCKROQSA-N 2 2 388.515 3.824 20 0 GHADLP C[C@@H]1CC[N@H+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000535051557 868041761 /nfs/dbraw/zinc/04/17/61/868041761.db2.gz INDSYBAUKONZGX-UEVCKROQSA-N 2 2 388.515 3.824 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157160839 868576251 /nfs/dbraw/zinc/57/62/51/868576251.db2.gz SRPLZPOTDYZJAF-XLIONFOSSA-N 2 2 377.960 3.810 20 0 GHADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157160839 868576258 /nfs/dbraw/zinc/57/62/58/868576258.db2.gz SRPLZPOTDYZJAF-XLIONFOSSA-N 2 2 377.960 3.810 20 0 GHADLP COc1cccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[NH+](C)C)c1 ZINC000479864480 868660735 /nfs/dbraw/zinc/66/07/35/868660735.db2.gz ULABXXWRZPTUPK-IEXUWNMDSA-N 2 2 381.564 3.798 20 0 GHADLP COc1cccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[NH+](C)C)c1 ZINC000479864480 868660740 /nfs/dbraw/zinc/66/07/40/868660740.db2.gz ULABXXWRZPTUPK-IEXUWNMDSA-N 2 2 381.564 3.798 20 0 GHADLP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N(C)C)c1 ZINC000479864480 868660746 /nfs/dbraw/zinc/66/07/46/868660746.db2.gz ULABXXWRZPTUPK-IEXUWNMDSA-N 2 2 381.564 3.798 20 0 GHADLP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N(C)C)c1 ZINC000479864480 868660750 /nfs/dbraw/zinc/66/07/50/868660750.db2.gz ULABXXWRZPTUPK-IEXUWNMDSA-N 2 2 381.564 3.798 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccc2c(c1)CCCC2 ZINC000535572770 869025920 /nfs/dbraw/zinc/02/59/20/869025920.db2.gz BNYZLKZQHKLAFD-SFHVURJKSA-N 2 2 392.547 3.714 20 0 GHADLP C[N@H+](Cc1cccc(-c2ccccn2)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428420805 869055923 /nfs/dbraw/zinc/05/59/23/869055923.db2.gz JBACXBBHXWJBGH-RUZDIDTESA-N 2 2 387.527 3.817 20 0 GHADLP C[N@@H+](Cc1cccc(-c2ccccn2)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428420805 869055930 /nfs/dbraw/zinc/05/59/30/869055930.db2.gz JBACXBBHXWJBGH-RUZDIDTESA-N 2 2 387.527 3.817 20 0 GHADLP C[NH+](Cc1cccc(-c2ccccn2)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428420805 869055936 /nfs/dbraw/zinc/05/59/36/869055936.db2.gz JBACXBBHXWJBGH-RUZDIDTESA-N 2 2 387.527 3.817 20 0 GHADLP C[NH+](Cc1cccc(-c2ccccn2)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428420805 869055943 /nfs/dbraw/zinc/05/59/43/869055943.db2.gz JBACXBBHXWJBGH-RUZDIDTESA-N 2 2 387.527 3.817 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3F)o2)CC[N@H+](Cc2ccccc2)C1 ZINC000524945197 869826500 /nfs/dbraw/zinc/82/65/00/869826500.db2.gz OPIGGPVCGLNLOU-HSZRJFAPSA-N 2 2 380.463 3.812 20 0 GHADLP O[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3F)o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000524945197 869826513 /nfs/dbraw/zinc/82/65/13/869826513.db2.gz OPIGGPVCGLNLOU-HSZRJFAPSA-N 2 2 380.463 3.812 20 0 GHADLP Cc1cccn2c(C[NH2+]CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cnc12 ZINC000462741384 869977143 /nfs/dbraw/zinc/97/71/43/869977143.db2.gz FJBBROXAVMNNBZ-UHFFFAOYSA-N 2 2 397.954 3.598 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000462799989 870116174 /nfs/dbraw/zinc/11/61/74/870116174.db2.gz AJFUGAYMKOEUPQ-UHFFFAOYSA-N 2 2 396.531 3.764 20 0 GHADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000446756329 870305235 /nfs/dbraw/zinc/30/52/35/870305235.db2.gz GZQICVFJCQHIJT-XMMPIXPASA-N 2 2 382.548 3.850 20 0 GHADLP Cc1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000462892596 870311675 /nfs/dbraw/zinc/31/16/75/870311675.db2.gz CYPOWEZJXWNWIO-HNNXBMFYSA-N 2 2 395.425 3.600 20 0 GHADLP CSc1ccsc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248383498 870352608 /nfs/dbraw/zinc/35/26/08/870352608.db2.gz AHZYBJNNZAEHNI-IAGOWNOFSA-N 2 2 395.638 3.879 20 0 GHADLP CSc1ccsc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248383498 870352693 /nfs/dbraw/zinc/35/26/93/870352693.db2.gz AHZYBJNNZAEHNI-IAGOWNOFSA-N 2 2 395.638 3.879 20 0 GHADLP CN(C(=O)c1cccc2c1CCC2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248386988 870354297 /nfs/dbraw/zinc/35/42/97/870354297.db2.gz ONGYBDDELXGFKX-XZOQPEGZSA-N 2 2 383.580 3.585 20 0 GHADLP CN(C(=O)c1cccc2c1CCC2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248386988 870354497 /nfs/dbraw/zinc/35/44/97/870354497.db2.gz ONGYBDDELXGFKX-XZOQPEGZSA-N 2 2 383.580 3.585 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000192913397 870456009 /nfs/dbraw/zinc/45/60/09/870456009.db2.gz CRKHRAKPBXFRTK-KRWDZBQOSA-N 2 2 382.430 3.560 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000192913397 870456024 /nfs/dbraw/zinc/45/60/24/870456024.db2.gz CRKHRAKPBXFRTK-KRWDZBQOSA-N 2 2 382.430 3.560 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-n3cncn3)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000538732329 870464180 /nfs/dbraw/zinc/46/41/80/870464180.db2.gz CPRLEMGOAZCLND-GHTZIAJQSA-N 2 2 393.510 3.891 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-n3cncn3)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000538732329 870464194 /nfs/dbraw/zinc/46/41/94/870464194.db2.gz CPRLEMGOAZCLND-GHTZIAJQSA-N 2 2 393.510 3.891 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-n3cncn3)c(F)c2)CC[NH+]1Cc1ccccc1 ZINC000538732329 870464213 /nfs/dbraw/zinc/46/42/13/870464213.db2.gz CPRLEMGOAZCLND-GHTZIAJQSA-N 2 2 393.510 3.891 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3cncn3)c(F)c2)CC[NH+]1Cc1ccccc1 ZINC000538732329 870464224 /nfs/dbraw/zinc/46/42/24/870464224.db2.gz CPRLEMGOAZCLND-GHTZIAJQSA-N 2 2 393.510 3.891 20 0 GHADLP COc1cccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCOCC2)c1F ZINC000446822005 870464618 /nfs/dbraw/zinc/46/46/18/870464618.db2.gz BUGWGROXGMICBO-UHFFFAOYSA-N 2 2 381.451 3.816 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnn(CC(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000538732961 870473730 /nfs/dbraw/zinc/47/37/30/870473730.db2.gz GCRQCYJRHGMQJA-VQIMIIECSA-N 2 2 380.458 3.930 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnn(CC(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000538732961 870473737 /nfs/dbraw/zinc/47/37/37/870473737.db2.gz GCRQCYJRHGMQJA-VQIMIIECSA-N 2 2 380.458 3.930 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnn(CC(F)(F)F)c2)CC[NH+]1Cc1ccccc1 ZINC000538732961 870473744 /nfs/dbraw/zinc/47/37/44/870473744.db2.gz GCRQCYJRHGMQJA-VQIMIIECSA-N 2 2 380.458 3.930 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnn(CC(F)(F)F)c2)CC[NH+]1Cc1ccccc1 ZINC000538732961 870473749 /nfs/dbraw/zinc/47/37/49/870473749.db2.gz GCRQCYJRHGMQJA-VQIMIIECSA-N 2 2 380.458 3.930 20 0 GHADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)CC1 ZINC000462937639 870497984 /nfs/dbraw/zinc/49/79/84/870497984.db2.gz FQLUJZUDONUCEA-HNNXBMFYSA-N 2 2 399.373 3.735 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103310265 870601161 /nfs/dbraw/zinc/60/11/61/870601161.db2.gz XCLHRUHJLFSGFU-FQEVSTJZSA-N 2 2 395.551 3.670 20 0 GHADLP NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248716234 870603233 /nfs/dbraw/zinc/60/32/33/870603233.db2.gz FZUMMSASXUNAON-LQCXBHPOSA-N 2 2 397.950 3.522 20 0 GHADLP NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248716234 870603240 /nfs/dbraw/zinc/60/32/40/870603240.db2.gz FZUMMSASXUNAON-LQCXBHPOSA-N 2 2 397.950 3.522 20 0 GHADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1Br ZINC000540160135 870624354 /nfs/dbraw/zinc/62/43/54/870624354.db2.gz JUVMFXUXOPMMDR-GBESFXJTSA-N 2 2 381.358 3.868 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000248757631 870624433 /nfs/dbraw/zinc/62/44/33/870624433.db2.gz GHRAALCDJHDCFC-RBUKOAKNSA-N 2 2 392.613 3.648 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000248757631 870624440 /nfs/dbraw/zinc/62/44/40/870624440.db2.gz GHRAALCDJHDCFC-RBUKOAKNSA-N 2 2 392.613 3.648 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766398673 870699972 /nfs/dbraw/zinc/69/99/72/870699972.db2.gz JRRDDLHHGCSWFK-UHFFFAOYSA-N 2 2 396.539 3.914 20 0 GHADLP C[C@H](c1cc(F)ccc1F)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540245425 870849447 /nfs/dbraw/zinc/84/94/47/870849447.db2.gz PKBUJNYMZVSJFM-IXDOHACOSA-N 2 2 382.495 3.616 20 0 GHADLP C[C@H](c1cc(F)ccc1F)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540245425 870849459 /nfs/dbraw/zinc/84/94/59/870849459.db2.gz PKBUJNYMZVSJFM-IXDOHACOSA-N 2 2 382.495 3.616 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(C)cc2Cl)[C@H](C)C1 ZINC000249509014 870851626 /nfs/dbraw/zinc/85/16/26/870851626.db2.gz ZIZAMRJKCDNIIT-LMMKCTJWSA-N 2 2 395.975 3.702 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(C)cc2Cl)[C@H](C)C1 ZINC000249509014 870851633 /nfs/dbraw/zinc/85/16/33/870851633.db2.gz ZIZAMRJKCDNIIT-LMMKCTJWSA-N 2 2 395.975 3.702 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000463141107 870996444 /nfs/dbraw/zinc/99/64/44/870996444.db2.gz NAAONFSRJSRXDN-BGYRXZFFSA-N 3 2 375.576 3.790 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000463141107 870996450 /nfs/dbraw/zinc/99/64/50/870996450.db2.gz NAAONFSRJSRXDN-BGYRXZFFSA-N 3 2 375.576 3.790 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(C)ccc1OC ZINC000538984791 871049284 /nfs/dbraw/zinc/04/92/84/871049284.db2.gz CKTPDOKSOHPJBX-AKIFATBCSA-N 2 2 382.548 3.927 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(C)ccc1OC ZINC000538984791 871049309 /nfs/dbraw/zinc/04/93/09/871049309.db2.gz CKTPDOKSOHPJBX-AKIFATBCSA-N 2 2 382.548 3.927 20 0 GHADLP CN(C(=O)C[N@H+](C)CCCn1cc[nH+]c1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000540347755 871084236 /nfs/dbraw/zinc/08/42/36/871084236.db2.gz IELCUCZKGKXFDF-HSZRJFAPSA-N 2 2 394.494 3.592 20 0 GHADLP CN(C(=O)C[N@@H+](C)CCCn1cc[nH+]c1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000540347755 871084253 /nfs/dbraw/zinc/08/42/53/871084253.db2.gz IELCUCZKGKXFDF-HSZRJFAPSA-N 2 2 394.494 3.592 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539084155 871230603 /nfs/dbraw/zinc/23/06/03/871230603.db2.gz LYCMBZFALIOAIV-FOIQADDNSA-N 2 2 380.879 3.982 20 0 GHADLP COc1cc(OC)c(C2OCCO2)cc1[NH2+][C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169143998 871255371 /nfs/dbraw/zinc/25/53/71/871255371.db2.gz LECRPDLIAMPCSQ-SZNDQCEHSA-N 2 2 378.513 3.705 20 0 GHADLP Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000540474070 871387956 /nfs/dbraw/zinc/38/79/56/871387956.db2.gz MFKQITQZJUVKFL-UHFFFAOYSA-N 2 2 396.485 3.959 20 0 GHADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000462000275 871421106 /nfs/dbraw/zinc/42/11/06/871421106.db2.gz CPOZLSXSMKNDOD-YADHBBJMSA-N 2 2 397.567 3.631 20 0 GHADLP CC(C)Oc1ccccc1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001194242250 871581038 /nfs/dbraw/zinc/58/10/38/871581038.db2.gz VKIRSTYTFKDWQQ-XMMPIXPASA-N 2 2 393.575 3.866 20 0 GHADLP CC(C)Oc1ccccc1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001194242250 871581045 /nfs/dbraw/zinc/58/10/45/871581045.db2.gz VKIRSTYTFKDWQQ-XMMPIXPASA-N 2 2 393.575 3.866 20 0 GHADLP CN(C(=O)N[C@@H](C1CC1)C1CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000459202598 871630804 /nfs/dbraw/zinc/63/08/04/871630804.db2.gz SPWJIUBUHWLBKG-YPAWHYETSA-N 2 2 390.616 3.544 20 0 GHADLP CN(C(=O)N[C@@H](C1CC1)C1CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459202598 871630817 /nfs/dbraw/zinc/63/08/17/871630817.db2.gz SPWJIUBUHWLBKG-YPAWHYETSA-N 2 2 390.616 3.544 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cc2cc(Br)ccc2o1 ZINC000540595013 871655485 /nfs/dbraw/zinc/65/54/85/871655485.db2.gz MHRNZFRTDHYWFI-YOEHRIQHSA-N 2 2 395.341 3.939 20 0 GHADLP COc1cc(C[NH+]2CCOCC2)ccc1N1CCC[C@H]([NH3+])c2cc(C)ccc21 ZINC001169689727 871759519 /nfs/dbraw/zinc/75/95/19/871759519.db2.gz NTCYJZLSLCIOKV-FQEVSTJZSA-N 2 2 381.520 3.768 20 0 GHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cccc(Cl)c3F)CC2)C[C@@H](C)O1 ZINC000525972120 871779067 /nfs/dbraw/zinc/77/90/67/871779067.db2.gz BLPDYIMSAUZDKI-HZPDHXFCSA-N 2 2 384.923 3.569 20 0 GHADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000552035441 871850979 /nfs/dbraw/zinc/85/09/79/871850979.db2.gz XWDRFOWBKFYCAZ-HZCBDIJESA-N 2 2 392.547 3.833 20 0 GHADLP CCN(C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000526013008 871899658 /nfs/dbraw/zinc/89/96/58/871899658.db2.gz RFDQOYULUXMNDS-WOJBJXKFSA-N 2 2 394.563 3.761 20 0 GHADLP CCN(C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000526013008 871899683 /nfs/dbraw/zinc/89/96/83/871899683.db2.gz RFDQOYULUXMNDS-WOJBJXKFSA-N 2 2 394.563 3.761 20 0 GHADLP CCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000526013008 871899708 /nfs/dbraw/zinc/89/97/08/871899708.db2.gz RFDQOYULUXMNDS-WOJBJXKFSA-N 2 2 394.563 3.761 20 0 GHADLP CCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000526013008 871899727 /nfs/dbraw/zinc/89/97/27/871899727.db2.gz RFDQOYULUXMNDS-WOJBJXKFSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c3ccccc3)CC1)C2 ZINC000526004537 871930145 /nfs/dbraw/zinc/93/01/45/871930145.db2.gz XXDYDSJYGVMHDF-PKOBYXMFSA-N 2 2 394.563 3.980 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1CC[NH+]([C@@H](C)c3ccccc3)CC1)CC2 ZINC000526004537 871930170 /nfs/dbraw/zinc/93/01/70/871930170.db2.gz XXDYDSJYGVMHDF-PKOBYXMFSA-N 2 2 394.563 3.980 20 0 GHADLP COc1cc(OC)c(OC)cc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336890 872091878 /nfs/dbraw/zinc/09/18/78/872091878.db2.gz VHBYTDZWBXORCN-LJQANCHMSA-N 2 2 384.520 3.666 20 0 GHADLP COc1cc(OC)c(OC)cc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336890 872091893 /nfs/dbraw/zinc/09/18/93/872091893.db2.gz VHBYTDZWBXORCN-LJQANCHMSA-N 2 2 384.520 3.666 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336890 872091906 /nfs/dbraw/zinc/09/19/06/872091906.db2.gz VHBYTDZWBXORCN-LJQANCHMSA-N 2 2 384.520 3.666 20 0 GHADLP COc1cc(OC)c(OC)cc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336890 872091924 /nfs/dbraw/zinc/09/19/24/872091924.db2.gz VHBYTDZWBXORCN-LJQANCHMSA-N 2 2 384.520 3.666 20 0 GHADLP FC(F)(F)c1ccc(OCCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000477930747 872162050 /nfs/dbraw/zinc/16/20/50/872162050.db2.gz OJPTXGYZAHPZDH-UHFFFAOYSA-N 2 2 380.414 3.523 20 0 GHADLP Cc1ccc(N2CCC(C(=O)N[C@@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)CC2)[nH+]c1 ZINC000619029081 872244393 /nfs/dbraw/zinc/24/43/93/872244393.db2.gz ITFQOJDCXXGJKP-SIKLNZKXSA-N 2 2 392.547 3.558 20 0 GHADLP Cc1ccc(N2CCC(C(=O)N[C@@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)CC2)[nH+]c1 ZINC000619029081 872244413 /nfs/dbraw/zinc/24/44/13/872244413.db2.gz ITFQOJDCXXGJKP-SIKLNZKXSA-N 2 2 392.547 3.558 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000463704696 872373596 /nfs/dbraw/zinc/37/35/96/872373596.db2.gz NSOULTUHWYQOKP-RBUKOAKNSA-N 2 2 379.508 3.635 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000463704696 872373614 /nfs/dbraw/zinc/37/36/14/872373614.db2.gz NSOULTUHWYQOKP-RBUKOAKNSA-N 2 2 379.508 3.635 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000767432649 872515871 /nfs/dbraw/zinc/51/58/71/872515871.db2.gz GKQXIXGAGXVLSP-SIKLNZKXSA-N 2 2 395.551 3.785 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000767432649 872515891 /nfs/dbraw/zinc/51/58/91/872515891.db2.gz GKQXIXGAGXVLSP-SIKLNZKXSA-N 2 2 395.551 3.785 20 0 GHADLP CC[N@H+](CCC1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1)CC1CC1 ZINC000552761254 873144938 /nfs/dbraw/zinc/14/49/38/873144938.db2.gz LYLCSKRBZGXHJU-UHFFFAOYSA-N 2 2 394.563 3.906 20 0 GHADLP CC[N@@H+](CCC1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1)CC1CC1 ZINC000552761254 873144945 /nfs/dbraw/zinc/14/49/45/873144945.db2.gz LYLCSKRBZGXHJU-UHFFFAOYSA-N 2 2 394.563 3.906 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@H](C[NH+]3CCC(C)CC3)C1)C2 ZINC000527531194 873222410 /nfs/dbraw/zinc/22/24/10/873222410.db2.gz OLOTYRMGLOUJPQ-RTBURBONSA-N 2 2 386.584 3.609 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@H](C[NH+]3CCC(C)CC3)C1)CC2 ZINC000527531194 873222411 /nfs/dbraw/zinc/22/24/11/873222411.db2.gz OLOTYRMGLOUJPQ-RTBURBONSA-N 2 2 386.584 3.609 20 0 GHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C1 ZINC000768498183 873338434 /nfs/dbraw/zinc/33/84/34/873338434.db2.gz FVMKWHZYULKTJC-OXJNMPFZSA-N 2 2 386.499 3.621 20 0 GHADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C1 ZINC000768498183 873338451 /nfs/dbraw/zinc/33/84/51/873338451.db2.gz FVMKWHZYULKTJC-OXJNMPFZSA-N 2 2 386.499 3.621 20 0 GHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C1 ZINC000768498183 873338467 /nfs/dbraw/zinc/33/84/67/873338467.db2.gz FVMKWHZYULKTJC-OXJNMPFZSA-N 2 2 386.499 3.621 20 0 GHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C1 ZINC000768498183 873338482 /nfs/dbraw/zinc/33/84/82/873338482.db2.gz FVMKWHZYULKTJC-OXJNMPFZSA-N 2 2 386.499 3.621 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2ccc(Cl)c(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000460481357 882726887 /nfs/dbraw/zinc/72/68/87/882726887.db2.gz SQGIUSSOZHWTGZ-UHFFFAOYSA-N 2 2 384.351 3.674 20 0 GHADLP C[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000102765340 873571525 /nfs/dbraw/zinc/57/15/25/873571525.db2.gz CRXNGKVXQHPIER-SFHVURJKSA-N 2 2 399.604 3.836 20 0 GHADLP C[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000102765340 873571529 /nfs/dbraw/zinc/57/15/29/873571529.db2.gz CRXNGKVXQHPIER-SFHVURJKSA-N 2 2 399.604 3.836 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(-c3ccccc3)n(C)n2)[C@@H](C)C1 ZINC000527861377 873685815 /nfs/dbraw/zinc/68/58/15/873685815.db2.gz CUICPWKDQBIWLV-ZJOUEHCJSA-N 2 2 384.568 3.875 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(-c3ccccc3)n(C)n2)[C@@H](C)C1 ZINC000527861377 873685823 /nfs/dbraw/zinc/68/58/23/873685823.db2.gz CUICPWKDQBIWLV-ZJOUEHCJSA-N 2 2 384.568 3.875 20 0 GHADLP O[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(Br)cc1 ZINC001197275697 873687813 /nfs/dbraw/zinc/68/78/13/873687813.db2.gz VVPCSLZLALIVGY-RBUKOAKNSA-N 2 2 386.293 3.710 20 0 GHADLP O=C(NC1CC1)c1ccc(C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)cc1 ZINC000541536918 873828075 /nfs/dbraw/zinc/82/80/75/873828075.db2.gz DQBHCBPBPMCYDN-UHFFFAOYSA-N 2 2 392.528 3.991 20 0 GHADLP O=C(NC1CC1)c1ccc(C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)cc1 ZINC000541536918 873828090 /nfs/dbraw/zinc/82/80/90/873828090.db2.gz DQBHCBPBPMCYDN-UHFFFAOYSA-N 2 2 392.528 3.991 20 0 GHADLP OC1(C2(C[NH2+]CCC[NH+]3CCN(c4ccc(Cl)cc4)CC3)CCC2)CCC1 ZINC001197683492 873977016 /nfs/dbraw/zinc/97/70/16/873977016.db2.gz VXIJHUWVFGYCQF-UHFFFAOYSA-N 2 2 391.987 3.527 20 0 GHADLP Cc1[nH]c(C2CC[NH+](CC(=O)NCC3(c4ccccc4)CCCC3)CC2)[nH+]c1C ZINC001197845507 874068059 /nfs/dbraw/zinc/06/80/59/874068059.db2.gz ZPCCSDAHHXBWKC-UHFFFAOYSA-N 2 2 394.563 3.834 20 0 GHADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000528145820 874138094 /nfs/dbraw/zinc/13/80/94/874138094.db2.gz FGUNFDXCMNLFNX-OAQYLSRUSA-N 2 2 399.583 3.515 20 0 GHADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000528145820 874138103 /nfs/dbraw/zinc/13/81/03/874138103.db2.gz FGUNFDXCMNLFNX-OAQYLSRUSA-N 2 2 399.583 3.515 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2cc(CC(C)(C)C)no2)cc1 ZINC001198006797 874158640 /nfs/dbraw/zinc/15/86/40/874158640.db2.gz FODQQDYOSXGLMM-UHFFFAOYSA-N 2 2 386.540 3.899 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2cc(CC(C)(C)C)no2)cc1 ZINC001198006797 874158647 /nfs/dbraw/zinc/15/86/47/874158647.db2.gz FODQQDYOSXGLMM-UHFFFAOYSA-N 2 2 386.540 3.899 20 0 GHADLP O=C(C[NH2+]C(C1CCCC1)C1CCCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC001198019781 874182965 /nfs/dbraw/zinc/18/29/65/874182965.db2.gz FKAJATUTZZAPTG-UHFFFAOYSA-N 2 2 389.609 3.731 20 0 GHADLP CC1([NH+]2CCOCC2)CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000528189754 874183674 /nfs/dbraw/zinc/18/36/74/874183674.db2.gz NVRGTSIMEGINMO-UHFFFAOYSA-N 2 2 390.325 3.688 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2cc(O)cc(Cl)c2)cc1 ZINC001198031564 874189740 /nfs/dbraw/zinc/18/97/40/874189740.db2.gz WAMCIPQVVNJMMT-UHFFFAOYSA-N 2 2 375.900 3.681 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2cc(O)cc(Cl)c2)cc1 ZINC001198031564 874189746 /nfs/dbraw/zinc/18/97/46/874189746.db2.gz WAMCIPQVVNJMMT-UHFFFAOYSA-N 2 2 375.900 3.681 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC001198122236 874242667 /nfs/dbraw/zinc/24/26/67/874242667.db2.gz BZEIEAQMNBQMHI-OAQYLSRUSA-N 2 2 375.516 3.750 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC001198122236 874242678 /nfs/dbraw/zinc/24/26/78/874242678.db2.gz BZEIEAQMNBQMHI-OAQYLSRUSA-N 2 2 375.516 3.750 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC001198122236 874242684 /nfs/dbraw/zinc/24/26/84/874242684.db2.gz BZEIEAQMNBQMHI-OAQYLSRUSA-N 2 2 375.516 3.750 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC001198122236 874242695 /nfs/dbraw/zinc/24/26/95/874242695.db2.gz BZEIEAQMNBQMHI-OAQYLSRUSA-N 2 2 375.516 3.750 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CCC(O)(c4cccnc4)CC3)CC2)cc1 ZINC000769984862 874387359 /nfs/dbraw/zinc/38/73/59/874387359.db2.gz AYLINLGKPZDFHE-UHFFFAOYSA-N 2 2 394.563 3.536 20 0 GHADLP CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192171248 882826896 /nfs/dbraw/zinc/82/68/96/882826896.db2.gz LCQRHSYSBKROGU-UHFFFAOYSA-N 2 2 378.476 3.531 20 0 GHADLP CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192171248 882826914 /nfs/dbraw/zinc/82/69/14/882826914.db2.gz LCQRHSYSBKROGU-UHFFFAOYSA-N 2 2 378.476 3.531 20 0 GHADLP COC1CCN(C(C)(C)C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449158195 874545409 /nfs/dbraw/zinc/54/54/09/874545409.db2.gz XYNIYNFBKDAVIW-FQEVSTJZSA-N 2 2 387.612 3.561 20 0 GHADLP COc1nccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000449159053 874556222 /nfs/dbraw/zinc/55/62/22/874556222.db2.gz XDPLBPQXQFMJIW-CRAIPNDOSA-N 2 2 394.441 3.677 20 0 GHADLP COc1nccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000449159053 874556232 /nfs/dbraw/zinc/55/62/32/874556232.db2.gz XDPLBPQXQFMJIW-CRAIPNDOSA-N 2 2 394.441 3.677 20 0 GHADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449184517 874576471 /nfs/dbraw/zinc/57/64/71/874576471.db2.gz IABVEACJHVYMBE-YADHBBJMSA-N 2 2 399.604 3.786 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc(O)ccc23)C1 ZINC001198790406 874611799 /nfs/dbraw/zinc/61/17/99/874611799.db2.gz GRGSUEHLZYNSJT-OAHLLOKOSA-N 2 2 381.476 3.830 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3cc(O)ccc23)C1 ZINC001198790406 874611803 /nfs/dbraw/zinc/61/18/03/874611803.db2.gz GRGSUEHLZYNSJT-OAHLLOKOSA-N 2 2 381.476 3.830 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)cn1 ZINC000858102031 882847261 /nfs/dbraw/zinc/84/72/61/882847261.db2.gz OVWPHHIRCOAXAX-UHFFFAOYSA-N 2 2 384.505 3.882 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000770349101 874634828 /nfs/dbraw/zinc/63/48/28/874634828.db2.gz BPVPLGGUDLFGPL-FXAWDEMLSA-N 2 2 390.934 3.948 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000770349101 874634831 /nfs/dbraw/zinc/63/48/31/874634831.db2.gz BPVPLGGUDLFGPL-FXAWDEMLSA-N 2 2 390.934 3.948 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000770349101 874634834 /nfs/dbraw/zinc/63/48/34/874634834.db2.gz BPVPLGGUDLFGPL-FXAWDEMLSA-N 2 2 390.934 3.948 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000770349101 874634837 /nfs/dbraw/zinc/63/48/37/874634837.db2.gz BPVPLGGUDLFGPL-FXAWDEMLSA-N 2 2 390.934 3.948 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 ZINC000449454166 874878708 /nfs/dbraw/zinc/87/87/08/874878708.db2.gz YKIZLIOOITVZLL-HXUWFJFHSA-N 2 2 382.907 3.937 20 0 GHADLP CCCCC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000771767143 875472307 /nfs/dbraw/zinc/47/23/07/875472307.db2.gz WKURQEPLPDBUHD-PMACEKPBSA-N 2 2 380.621 3.791 20 0 GHADLP CCCCC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000771767143 875472312 /nfs/dbraw/zinc/47/23/12/875472312.db2.gz WKURQEPLPDBUHD-PMACEKPBSA-N 2 2 380.621 3.791 20 0 GHADLP FC(F)(F)c1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(C(F)(F)F)c1 ZINC000771945035 875565949 /nfs/dbraw/zinc/56/59/49/875565949.db2.gz FKFIIJSKTVAALU-CABCVRRESA-N 2 2 382.348 3.677 20 0 GHADLP FC(F)(F)c1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc(C(F)(F)F)c1 ZINC000771945035 875565958 /nfs/dbraw/zinc/56/59/58/875565958.db2.gz FKFIIJSKTVAALU-CABCVRRESA-N 2 2 382.348 3.677 20 0 GHADLP Cc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c2c(n1)CCCC2 ZINC001201273331 875606952 /nfs/dbraw/zinc/60/69/52/875606952.db2.gz OBBBPRZBFKJBGN-UHFFFAOYSA-N 2 2 379.552 3.806 20 0 GHADLP Nc1cc[nH+]c(-c2cc(NC3=C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)ccn2)c1 ZINC001201475284 875730489 /nfs/dbraw/zinc/73/04/89/875730489.db2.gz SMKMCIBDRZFDBK-YADHBBJMSA-N 2 2 383.499 3.880 20 0 GHADLP Nc1cc[nH+]c(-c2cc(NC3=C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)ccn2)c1 ZINC001201475284 875730497 /nfs/dbraw/zinc/73/04/97/875730497.db2.gz SMKMCIBDRZFDBK-YADHBBJMSA-N 2 2 383.499 3.880 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)([NH+]2CCCCC2)CC1 ZINC000172750100 875898841 /nfs/dbraw/zinc/89/88/41/875898841.db2.gz BKYGPFKLMSMWNM-RTBURBONSA-N 2 2 389.971 3.510 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+][C@H](Cc3[nH+]ccn3C)c3ccccc3)cc12 ZINC000776220374 875907419 /nfs/dbraw/zinc/90/74/19/875907419.db2.gz XBKDHEREOGQJGW-GOSISDBHSA-N 2 2 394.910 3.737 20 0 GHADLP C[NH+]1CCC([N@H+](CC2CCCC2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001202191168 876051791 /nfs/dbraw/zinc/05/17/91/876051791.db2.gz XJWKBRNRQLYAMR-UHFFFAOYSA-N 2 2 379.589 3.972 20 0 GHADLP C[NH+]1CCC([N@@H+](CC2CCCC2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001202191168 876051802 /nfs/dbraw/zinc/05/18/02/876051802.db2.gz XJWKBRNRQLYAMR-UHFFFAOYSA-N 2 2 379.589 3.972 20 0 GHADLP CCCCc1ccc(CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000303964643 876138564 /nfs/dbraw/zinc/13/85/64/876138564.db2.gz PHFXRIDVRWNNLO-UHFFFAOYSA-N 2 2 385.596 3.638 20 0 GHADLP CCO[C@H](C)c1nc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cs1 ZINC000120642918 876189176 /nfs/dbraw/zinc/18/91/76/876189176.db2.gz FNVUJWPRGZMYFF-BRWVUGGUSA-N 2 2 381.586 3.562 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC000858286239 883002570 /nfs/dbraw/zinc/00/25/70/883002570.db2.gz VDOHVIMWZJSVLM-DMUMMCEESA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC000858286239 883002587 /nfs/dbraw/zinc/00/25/87/883002587.db2.gz VDOHVIMWZJSVLM-DMUMMCEESA-N 2 2 377.573 3.629 20 0 GHADLP Brc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000529529879 876266768 /nfs/dbraw/zinc/26/67/68/876266768.db2.gz ORKGCIYPGDSLNA-ZDUSSCGKSA-N 2 2 395.370 3.818 20 0 GHADLP Brc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000529529879 876266780 /nfs/dbraw/zinc/26/67/80/876266780.db2.gz ORKGCIYPGDSLNA-ZDUSSCGKSA-N 2 2 395.370 3.818 20 0 GHADLP OC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)c(F)c1 ZINC000492258878 876521513 /nfs/dbraw/zinc/52/15/13/876521513.db2.gz NVMZQUAALVLCBR-SFHVURJKSA-N 2 2 390.256 3.597 20 0 GHADLP COCC[NH+](CCOC)C1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450524305 876568907 /nfs/dbraw/zinc/56/89/07/876568907.db2.gz MMKWNICOMVNIQT-UHFFFAOYSA-N 2 2 395.906 3.591 20 0 GHADLP Brc1ccc2oc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc2c1 ZINC000850134739 876690516 /nfs/dbraw/zinc/69/05/16/876690516.db2.gz DORHQVGRYXFPTP-KRWDZBQOSA-N 2 2 393.325 3.928 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1Cl ZINC000850512322 876983484 /nfs/dbraw/zinc/98/34/84/876983484.db2.gz ALFBDFHPLXLTBE-NVXWUHKLSA-N 2 2 387.911 3.664 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1Cl ZINC000850512322 876983492 /nfs/dbraw/zinc/98/34/92/876983492.db2.gz ALFBDFHPLXLTBE-NVXWUHKLSA-N 2 2 387.911 3.664 20 0 GHADLP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1SC(F)F ZINC000850556668 877022828 /nfs/dbraw/zinc/02/28/28/877022828.db2.gz IQYSKRXSXYFEJM-BBRMVZONSA-N 2 2 386.508 3.914 20 0 GHADLP CC[N@H+](CCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@H](C)Cc1ccc(O)cc1 ZINC001183049262 912220210 /nfs/dbraw/zinc/22/02/10/912220210.db2.gz ADKBNYIZJZALPS-UYAOXDASSA-N 2 2 398.551 3.555 20 0 GHADLP CC[N@@H+](CCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@H](C)Cc1ccc(O)cc1 ZINC001183049262 912220240 /nfs/dbraw/zinc/22/02/40/912220240.db2.gz ADKBNYIZJZALPS-UYAOXDASSA-N 2 2 398.551 3.555 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc3ccccc3c2)[C@H](C)C1 ZINC000787301673 877327164 /nfs/dbraw/zinc/32/71/64/877327164.db2.gz CCSGXOQOINCAAH-XMSQKQJNSA-N 2 2 383.536 3.505 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc3ccccc3c2)[C@H](C)C1 ZINC000787301673 877327172 /nfs/dbraw/zinc/32/71/72/877327172.db2.gz CCSGXOQOINCAAH-XMSQKQJNSA-N 2 2 383.536 3.505 20 0 GHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000109795509 877435806 /nfs/dbraw/zinc/43/58/06/877435806.db2.gz AVBNSZROICYVAQ-UHFFFAOYSA-N 2 2 381.524 3.539 20 0 GHADLP c1nn([C@@H]2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)c2ccccc12 ZINC000551701417 877669246 /nfs/dbraw/zinc/66/92/46/877669246.db2.gz AIQSJHSIZGUSDD-PKTZIBPZSA-N 2 2 390.531 3.574 20 0 GHADLP c1nn([C@@H]2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)c2ccccc12 ZINC000551701417 877669251 /nfs/dbraw/zinc/66/92/51/877669251.db2.gz AIQSJHSIZGUSDD-PKTZIBPZSA-N 2 2 390.531 3.574 20 0 GHADLP c1nn([C@@H]2CC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)c2ccccc12 ZINC000551701417 877669255 /nfs/dbraw/zinc/66/92/55/877669255.db2.gz AIQSJHSIZGUSDD-PKTZIBPZSA-N 2 2 390.531 3.574 20 0 GHADLP c1nn([C@@H]2CC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)c2ccccc12 ZINC000551701417 877669262 /nfs/dbraw/zinc/66/92/62/877669262.db2.gz AIQSJHSIZGUSDD-PKTZIBPZSA-N 2 2 390.531 3.574 20 0 GHADLP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 ZINC000477481993 877710961 /nfs/dbraw/zinc/71/09/61/877710961.db2.gz KLLIQPKNQPWDAA-SFHVURJKSA-N 2 2 398.576 3.904 20 0 GHADLP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 ZINC000477481993 877710970 /nfs/dbraw/zinc/71/09/70/877710970.db2.gz KLLIQPKNQPWDAA-SFHVURJKSA-N 2 2 398.576 3.904 20 0 GHADLP C[NH+]1CCCC[C@H]1CCC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000477481993 877710983 /nfs/dbraw/zinc/71/09/83/877710983.db2.gz KLLIQPKNQPWDAA-SFHVURJKSA-N 2 2 398.576 3.904 20 0 GHADLP C[NH+]1CCCC[C@H]1CCC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000477481993 877710991 /nfs/dbraw/zinc/71/09/91/877710991.db2.gz KLLIQPKNQPWDAA-SFHVURJKSA-N 2 2 398.576 3.904 20 0 GHADLP CC[C@H](C)[C@@H](C)N(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000175588248 877783284 /nfs/dbraw/zinc/78/32/84/877783284.db2.gz DZKHRMTVTHRJDA-RBUKOAKNSA-N 2 2 378.605 3.545 20 0 GHADLP C[C@]1(C2CCCC2)CC(=O)N(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000788382228 878047512 /nfs/dbraw/zinc/04/75/12/878047512.db2.gz LFTGMCXCPIXOME-QHCPKHFHSA-N 2 2 384.568 3.785 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000788565146 878156797 /nfs/dbraw/zinc/15/67/97/878156797.db2.gz ZFLNAWOVOCGPRD-IEBWSBKVSA-N 2 2 384.524 3.998 20 0 GHADLP CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245632148 878249082 /nfs/dbraw/zinc/24/90/82/878249082.db2.gz DQYUSICZGXZQHF-VQTJNVASSA-N 2 2 377.960 3.749 20 0 GHADLP CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245632148 878249092 /nfs/dbraw/zinc/24/90/92/878249092.db2.gz DQYUSICZGXZQHF-VQTJNVASSA-N 2 2 377.960 3.749 20 0 GHADLP CN(C(=O)Cc1c[nH]c2ccccc12)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245686127 878374384 /nfs/dbraw/zinc/37/43/84/878374384.db2.gz IOFQEAVFOCECHB-DHIUTWEWSA-N 2 2 396.579 3.506 20 0 GHADLP CN(C(=O)Cc1c[nH]c2ccccc12)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245686127 878374395 /nfs/dbraw/zinc/37/43/95/878374395.db2.gz IOFQEAVFOCECHB-DHIUTWEWSA-N 2 2 396.579 3.506 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245799362 878608639 /nfs/dbraw/zinc/60/86/39/878608639.db2.gz XMXPYTSSPQGYKB-MAUKXSAKSA-N 2 2 399.373 3.779 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245799362 878608652 /nfs/dbraw/zinc/60/86/52/878608652.db2.gz XMXPYTSSPQGYKB-MAUKXSAKSA-N 2 2 399.373 3.779 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245799362 878608668 /nfs/dbraw/zinc/60/86/68/878608668.db2.gz XMXPYTSSPQGYKB-MAUKXSAKSA-N 2 2 399.373 3.779 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245799362 878608675 /nfs/dbraw/zinc/60/86/75/878608675.db2.gz XMXPYTSSPQGYKB-MAUKXSAKSA-N 2 2 399.373 3.779 20 0 GHADLP Fc1ccc(C2OCCO2)c(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853092557 878810561 /nfs/dbraw/zinc/81/05/61/878810561.db2.gz AMIBSNOQMDZWMQ-OAHLLOKOSA-N 2 2 382.907 3.736 20 0 GHADLP Fc1ccc(C2OCCO2)c(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853092557 878810573 /nfs/dbraw/zinc/81/05/73/878810573.db2.gz AMIBSNOQMDZWMQ-OAHLLOKOSA-N 2 2 382.907 3.736 20 0 GHADLP C[NH+]1CCC(O)(C[NH2+][C@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1 ZINC000493234646 878907939 /nfs/dbraw/zinc/90/79/39/878907939.db2.gz WDBYHYOWGNQEQG-LJQANCHMSA-N 2 2 380.866 3.754 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CCCS2 ZINC000853233203 878916291 /nfs/dbraw/zinc/91/62/91/878916291.db2.gz BVOFWQZWDROPOA-ZMSDIMECSA-N 2 2 397.382 3.829 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCCS2 ZINC000853233203 878916298 /nfs/dbraw/zinc/91/62/98/878916298.db2.gz BVOFWQZWDROPOA-ZMSDIMECSA-N 2 2 397.382 3.829 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000178425534 879115638 /nfs/dbraw/zinc/11/56/38/879115638.db2.gz GPZCADAIKVTKFS-JXFKEZNVSA-N 2 2 388.353 3.887 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000178425534 879115645 /nfs/dbraw/zinc/11/56/45/879115645.db2.gz GPZCADAIKVTKFS-JXFKEZNVSA-N 2 2 388.353 3.887 20 0 GHADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+]CCCNc3cccc[nH+]3)cc2)n1 ZINC000531199775 879313427 /nfs/dbraw/zinc/31/34/27/879313427.db2.gz SNTOFOUKRPYUQI-UHFFFAOYSA-N 2 2 375.398 3.878 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000246265563 879313586 /nfs/dbraw/zinc/31/35/86/879313586.db2.gz AGKSXKVZECSFQW-ICSRJNTNSA-N 2 2 385.552 3.804 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000246265563 879313608 /nfs/dbraw/zinc/31/36/08/879313608.db2.gz AGKSXKVZECSFQW-ICSRJNTNSA-N 2 2 385.552 3.804 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000246265563 879313626 /nfs/dbraw/zinc/31/36/26/879313626.db2.gz AGKSXKVZECSFQW-ICSRJNTNSA-N 2 2 385.552 3.804 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000246265563 879313650 /nfs/dbraw/zinc/31/36/50/879313650.db2.gz AGKSXKVZECSFQW-ICSRJNTNSA-N 2 2 385.552 3.804 20 0 GHADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc(N2CCCCCC2)cc1 ZINC000772747936 879455541 /nfs/dbraw/zinc/45/55/41/879455541.db2.gz YBPCNFZOZQHGEW-OAQYLSRUSA-N 2 2 381.524 3.539 20 0 GHADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc(N2CCCCCC2)cc1 ZINC000772747936 879455561 /nfs/dbraw/zinc/45/55/61/879455561.db2.gz YBPCNFZOZQHGEW-OAQYLSRUSA-N 2 2 381.524 3.539 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000088520746 879463198 /nfs/dbraw/zinc/46/31/98/879463198.db2.gz VKTCNUUBDLJLTD-LJQANCHMSA-N 2 2 379.495 3.514 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000088520746 879463209 /nfs/dbraw/zinc/46/32/09/879463209.db2.gz VKTCNUUBDLJLTD-LJQANCHMSA-N 2 2 379.495 3.514 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000518979755 879485965 /nfs/dbraw/zinc/48/59/65/879485965.db2.gz RNBGVXKWPFXWLX-KSMMKXTCSA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000518979755 879485972 /nfs/dbraw/zinc/48/59/72/879485972.db2.gz RNBGVXKWPFXWLX-KSMMKXTCSA-N 2 2 384.351 3.635 20 0 GHADLP Cn1c[nH+]cc1CCC[N@@H+]1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 ZINC000854066570 879496046 /nfs/dbraw/zinc/49/60/46/879496046.db2.gz YTHQMZXROHCCRP-UHFFFAOYSA-N 2 2 381.499 3.762 20 0 GHADLP Cn1c[nH+]cc1CCC[N@H+]1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 ZINC000854066570 879496049 /nfs/dbraw/zinc/49/60/49/879496049.db2.gz YTHQMZXROHCCRP-UHFFFAOYSA-N 2 2 381.499 3.762 20 0 GHADLP CCCN(CC[NH+](CC)CC)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000461406639 879757694 /nfs/dbraw/zinc/75/76/94/879757694.db2.gz XAPKTJTUXVYJFT-UHFFFAOYSA-N 2 2 381.590 3.715 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H](C)C1 ZINC000247245246 879952076 /nfs/dbraw/zinc/95/20/76/879952076.db2.gz ZEIJHVRMWDXDOL-SIKLNZKXSA-N 2 2 396.579 3.588 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H](C)C1 ZINC000247245246 879952090 /nfs/dbraw/zinc/95/20/90/879952090.db2.gz ZEIJHVRMWDXDOL-SIKLNZKXSA-N 2 2 396.579 3.588 20 0 GHADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000531701930 880329245 /nfs/dbraw/zinc/32/92/45/880329245.db2.gz RVSMSHCCWBNLQD-QGZVFWFLSA-N 2 2 375.538 3.730 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000429526075 880850782 /nfs/dbraw/zinc/85/07/82/880850782.db2.gz GBJGDDDVNBFIRL-IFMALSPDSA-N 2 2 387.568 3.555 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000429526075 880850787 /nfs/dbraw/zinc/85/07/87/880850787.db2.gz GBJGDDDVNBFIRL-IFMALSPDSA-N 2 2 387.568 3.555 20 0 GHADLP Cc1cc(C)c(N2CC[C@H]([N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2=O)c(C)c1 ZINC000249030534 912624985 /nfs/dbraw/zinc/62/49/85/912624985.db2.gz FFLRGAAPXDYMAO-NNWRFLSQSA-N 2 2 381.564 3.666 20 0 GHADLP Cc1cc(C)c(N2CC[C@H]([N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2=O)c(C)c1 ZINC000249030534 912624988 /nfs/dbraw/zinc/62/49/88/912624988.db2.gz FFLRGAAPXDYMAO-NNWRFLSQSA-N 2 2 381.564 3.666 20 0 GHADLP Cc1cc(C)c(N2CC[C@H]([NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C2=O)c(C)c1 ZINC000249030534 912624995 /nfs/dbraw/zinc/62/49/95/912624995.db2.gz FFLRGAAPXDYMAO-NNWRFLSQSA-N 2 2 381.564 3.666 20 0 GHADLP Cc1cc(C)c(N2CC[C@H]([NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2=O)c(C)c1 ZINC000249030534 912625003 /nfs/dbraw/zinc/62/50/03/912625003.db2.gz FFLRGAAPXDYMAO-NNWRFLSQSA-N 2 2 381.564 3.666 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134935279 883120272 /nfs/dbraw/zinc/12/02/72/883120272.db2.gz VDVIBUMJAYOAFD-YFVAEKQCSA-N 2 2 395.547 3.901 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134935279 883120277 /nfs/dbraw/zinc/12/02/77/883120277.db2.gz VDVIBUMJAYOAFD-YFVAEKQCSA-N 2 2 395.547 3.901 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134935279 883120289 /nfs/dbraw/zinc/12/02/89/883120289.db2.gz VDVIBUMJAYOAFD-YFVAEKQCSA-N 2 2 395.547 3.901 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134935279 883120297 /nfs/dbraw/zinc/12/02/97/883120297.db2.gz VDVIBUMJAYOAFD-YFVAEKQCSA-N 2 2 395.547 3.901 20 0 GHADLP CC[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000465430739 883681809 /nfs/dbraw/zinc/68/18/09/883681809.db2.gz JHMXOYCPUXTTIK-OAQYLSRUSA-N 2 2 386.584 3.696 20 0 GHADLP CC(C)(O)C[N@@H+](Cc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551396146 883806810 /nfs/dbraw/zinc/80/68/10/883806810.db2.gz QDVVLLWVWVGGKA-HSZRJFAPSA-N 2 2 382.548 3.551 20 0 GHADLP CC(C)(O)C[N@H+](Cc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551396146 883806824 /nfs/dbraw/zinc/80/68/24/883806824.db2.gz QDVVLLWVWVGGKA-HSZRJFAPSA-N 2 2 382.548 3.551 20 0 GHADLP CC(C)(O)C[NH+](Cc1ccccc1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551396146 883806835 /nfs/dbraw/zinc/80/68/35/883806835.db2.gz QDVVLLWVWVGGKA-HSZRJFAPSA-N 2 2 382.548 3.551 20 0 GHADLP CC(C)(O)C[NH+](Cc1ccccc1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551396146 883806844 /nfs/dbraw/zinc/80/68/44/883806844.db2.gz QDVVLLWVWVGGKA-HSZRJFAPSA-N 2 2 382.548 3.551 20 0 GHADLP Clc1cc(Cl)c2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cn2c1 ZINC000556301931 884408231 /nfs/dbraw/zinc/40/82/31/884408231.db2.gz QWRIOFZMINWMCQ-UHFFFAOYSA-N 2 2 397.350 3.575 20 0 GHADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001170503105 884477242 /nfs/dbraw/zinc/47/72/42/884477242.db2.gz CFCNVFOUZBZFSZ-QAPCUYQASA-N 2 2 384.442 3.601 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ncc(Cc2cccc(C)c2)s1 ZINC000130512599 884715744 /nfs/dbraw/zinc/71/57/44/884715744.db2.gz ZTWOKBGHIWUAEY-UHFFFAOYSA-N 2 2 397.548 3.508 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ncc(Cc2cccc(C)c2)s1 ZINC000130512599 884715761 /nfs/dbraw/zinc/71/57/61/884715761.db2.gz ZTWOKBGHIWUAEY-UHFFFAOYSA-N 2 2 397.548 3.508 20 0 GHADLP C[C@H]1C[C@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCN1C(=O)OC(C)(C)C ZINC001183864646 912884434 /nfs/dbraw/zinc/88/44/34/912884434.db2.gz MSFUVWZYCPTHCI-ZWKOTPCHSA-N 2 2 388.556 3.994 20 0 GHADLP C[C@@H]1[C@H]([NH2+]CCc2cc(F)cc3c2OCOC3)CCC[N@@H+]1Cc1ccccc1 ZINC000550644026 885715293 /nfs/dbraw/zinc/71/52/93/885715293.db2.gz JXNAGHJNZZMUSB-VGOFRKELSA-N 2 2 384.495 3.877 20 0 GHADLP C[C@@H]1[C@H]([NH2+]CCc2cc(F)cc3c2OCOC3)CCC[N@H+]1Cc1ccccc1 ZINC000550644026 885715302 /nfs/dbraw/zinc/71/53/02/885715302.db2.gz JXNAGHJNZZMUSB-VGOFRKELSA-N 2 2 384.495 3.877 20 0 GHADLP CC(C)(C)[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000108850376 885941653 /nfs/dbraw/zinc/94/16/53/885941653.db2.gz PHSDTLIHEUIHIF-JOCHJYFZSA-N 2 2 398.526 3.636 20 0 GHADLP CN(C(=O)c1cc2[nH]ccc2s1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000476469380 885953978 /nfs/dbraw/zinc/95/39/78/885953978.db2.gz GOVBERCDVNLWCR-MSOLQXFVSA-N 2 2 388.581 3.639 20 0 GHADLP CN(C(=O)c1cc2[nH]ccc2s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000476469380 885953985 /nfs/dbraw/zinc/95/39/85/885953985.db2.gz GOVBERCDVNLWCR-MSOLQXFVSA-N 2 2 388.581 3.639 20 0 GHADLP O[C@@H](C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1)c1cccs1 ZINC000795930956 913025808 /nfs/dbraw/zinc/02/58/08/913025808.db2.gz VDMQCKNEXFALCP-VXKWHMMOSA-N 2 2 399.604 3.848 20 0 GHADLP O[C@@H](C[C@@H]1CCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1)c1cccs1 ZINC000795930956 913025823 /nfs/dbraw/zinc/02/58/23/913025823.db2.gz VDMQCKNEXFALCP-VXKWHMMOSA-N 2 2 399.604 3.848 20 0 GHADLP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001168235420 886340791 /nfs/dbraw/zinc/34/07/91/886340791.db2.gz VAAJQRCRBYEKMY-JLHGSKIFSA-N 2 2 383.511 3.552 20 0 GHADLP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001168235420 886340808 /nfs/dbraw/zinc/34/08/08/886340808.db2.gz VAAJQRCRBYEKMY-JLHGSKIFSA-N 2 2 383.511 3.552 20 0 GHADLP O[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000795948663 913065058 /nfs/dbraw/zinc/06/50/58/913065058.db2.gz ASDURTHYBLLSAA-RPBOFIJWSA-N 2 2 393.575 3.787 20 0 GHADLP O[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000795948663 913065077 /nfs/dbraw/zinc/06/50/77/913065077.db2.gz ASDURTHYBLLSAA-RPBOFIJWSA-N 2 2 393.575 3.787 20 0 GHADLP Cc1ccc(OC(F)F)c(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000556915529 886709200 /nfs/dbraw/zinc/70/92/00/886709200.db2.gz IRMKOHPEIQJUPF-UHFFFAOYSA-N 2 2 381.511 3.587 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000119730335 886803920 /nfs/dbraw/zinc/80/39/20/886803920.db2.gz JQEHLZAHXPFYHA-MRXNPFEDSA-N 2 2 376.566 3.680 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000125194725 886836683 /nfs/dbraw/zinc/83/66/83/886836683.db2.gz KXRSMXJYLYDDIS-ROUUACIJSA-N 2 2 386.561 3.966 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC(F)F)C1 ZINC000131290191 887526731 /nfs/dbraw/zinc/52/67/31/887526731.db2.gz UVWKJUFNRBIZDB-CQSZACIVSA-N 2 2 394.491 3.628 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC(F)F)C1 ZINC000131290191 887526737 /nfs/dbraw/zinc/52/67/37/887526737.db2.gz UVWKJUFNRBIZDB-CQSZACIVSA-N 2 2 394.491 3.628 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000131310930 887533096 /nfs/dbraw/zinc/53/30/96/887533096.db2.gz SMVJWDKQMSUOQK-CQSZACIVSA-N 2 2 394.491 3.628 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000131310930 887533108 /nfs/dbraw/zinc/53/31/08/887533108.db2.gz SMVJWDKQMSUOQK-CQSZACIVSA-N 2 2 394.491 3.628 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCN(c4ncccc4Cl)C3)CC2)cc1 ZINC000119987689 887699998 /nfs/dbraw/zinc/69/99/98/887699998.db2.gz NFDXBKYGRQIETL-GOSISDBHSA-N 2 2 399.970 3.638 20 0 GHADLP Cc1c2cc(Cl)ccc2oc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050800852 887710094 /nfs/dbraw/zinc/71/00/94/887710094.db2.gz DZUKLLFHJRYAHF-UHFFFAOYSA-N 2 2 389.927 3.683 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000809752733 887790597 /nfs/dbraw/zinc/79/05/97/887790597.db2.gz HSJFIHJJGSGVPD-UHFFFAOYSA-N 2 2 375.879 3.751 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000809752733 887790604 /nfs/dbraw/zinc/79/06/04/887790604.db2.gz HSJFIHJJGSGVPD-UHFFFAOYSA-N 2 2 375.879 3.751 20 0 GHADLP CC(C)[C@@](C)(Cc1ccccc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000865064759 888167121 /nfs/dbraw/zinc/16/71/21/888167121.db2.gz ZSKMZVFZFHFCST-XMMPIXPASA-N 2 2 385.596 3.566 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000865449559 888360137 /nfs/dbraw/zinc/36/01/37/888360137.db2.gz AEXAUJONNDHNIF-HNNXBMFYSA-N 2 2 398.482 3.665 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)CC2)CC1 ZINC000195204843 888654720 /nfs/dbraw/zinc/65/47/20/888654720.db2.gz RBPWSYPZTMPWFO-SYQRVOMBSA-N 2 2 387.612 3.658 20 0 GHADLP C[NH+](C)C1(C)CCC(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000866132142 888746236 /nfs/dbraw/zinc/74/62/36/888746236.db2.gz AWNPMGNGHCUYHO-UHFFFAOYSA-N 2 2 379.574 3.513 20 0 GHADLP Brc1ccc2c(c1)[C@H]1[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)[C@H]1C2 ZINC000866611797 888967962 /nfs/dbraw/zinc/96/79/62/888967962.db2.gz XCGBWPJUDGALLS-DFQSSKMNSA-N 2 2 384.321 3.741 20 0 GHADLP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245689513 889231255 /nfs/dbraw/zinc/23/12/55/889231255.db2.gz QBGLRRYFIRORJK-AEFFLSMTSA-N 2 2 394.475 3.798 20 0 GHADLP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245689513 889231263 /nfs/dbraw/zinc/23/12/63/889231263.db2.gz QBGLRRYFIRORJK-AEFFLSMTSA-N 2 2 394.475 3.798 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000122346012 889659254 /nfs/dbraw/zinc/65/92/54/889659254.db2.gz XVXRNGNVIIWCHV-XGCWNURASA-N 2 2 385.577 3.810 20 0 GHADLP CN(C(=O)CCCc1cccs1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124811604 889774119 /nfs/dbraw/zinc/77/41/19/889774119.db2.gz XGHDHQKDXVJLPQ-SFTDATJTSA-N 2 2 391.625 3.866 20 0 GHADLP CN(C(=O)CCCc1cccs1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124811604 889774133 /nfs/dbraw/zinc/77/41/33/889774133.db2.gz XGHDHQKDXVJLPQ-SFTDATJTSA-N 2 2 391.625 3.866 20 0 GHADLP Cc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1F ZINC000124884966 889804412 /nfs/dbraw/zinc/80/44/12/889804412.db2.gz JVXYXPDPTLITPJ-WOJBJXKFSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1F ZINC000124884966 889804416 /nfs/dbraw/zinc/80/44/16/889804416.db2.gz JVXYXPDPTLITPJ-WOJBJXKFSA-N 2 2 375.532 3.543 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2CNc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000533446156 890605127 /nfs/dbraw/zinc/60/51/27/890605127.db2.gz MAIRZTPOCHJLBH-UHFFFAOYSA-N 2 2 379.552 3.826 20 0 GHADLP C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000287717461 913504118 /nfs/dbraw/zinc/50/41/18/913504118.db2.gz YKHCNYAFNXEVGS-CVDCTZTESA-N 2 2 398.595 3.728 20 0 GHADLP CN(C(=O)c1cccc2[nH]ccc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648075 891041476 /nfs/dbraw/zinc/04/14/76/891041476.db2.gz HIKYSEBRZRXDFC-FCHUYYIVSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1cccc2[nH]ccc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648075 891041487 /nfs/dbraw/zinc/04/14/87/891041487.db2.gz HIKYSEBRZRXDFC-FCHUYYIVSA-N 2 2 382.552 3.577 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@@H](C(C)(C)C)C3)CC2)cc1 ZINC000872075576 891141788 /nfs/dbraw/zinc/14/17/88/891141788.db2.gz DVCBQGIBPMSIRB-FCHUYYIVSA-N 2 2 387.568 3.793 20 0 GHADLP C[C@@H](CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[NH+]1CCCCC1 ZINC000812968441 891168829 /nfs/dbraw/zinc/16/88/29/891168829.db2.gz NUAMRHBISXFVCI-KRWDZBQOSA-N 2 2 381.524 3.882 20 0 GHADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C(F)(F)F ZINC000872149237 891182191 /nfs/dbraw/zinc/18/21/91/891182191.db2.gz MQPCDTFSSJPCQG-FUHWJXTLSA-N 2 2 377.410 3.508 20 0 GHADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C(F)(F)F ZINC000872149237 891182198 /nfs/dbraw/zinc/18/21/98/891182198.db2.gz MQPCDTFSSJPCQG-FUHWJXTLSA-N 2 2 377.410 3.508 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000917397923 891895113 /nfs/dbraw/zinc/89/51/13/891895113.db2.gz SHNOOWJIHACVKU-CABCVRRESA-N 2 2 382.346 3.630 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCN(c4ccccc4F)C3)CC2)cc1 ZINC000813791835 891983616 /nfs/dbraw/zinc/98/36/16/891983616.db2.gz KDBKQELZNJFERV-IBGZPJMESA-N 2 2 382.527 3.729 20 0 GHADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000162049680 892023533 /nfs/dbraw/zinc/02/35/33/892023533.db2.gz ZIPIBODDNBODTL-UZUQRXQVSA-N 2 2 384.495 3.560 20 0 GHADLP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccccc1OC ZINC000162042165 892044337 /nfs/dbraw/zinc/04/43/37/892044337.db2.gz ZMGCRFRDSNZPOV-NRFANRHFSA-N 2 2 384.520 3.647 20 0 GHADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ncnc4c3ncn4C3CC3)cc2)CC1 ZINC000814256651 892437494 /nfs/dbraw/zinc/43/74/94/892437494.db2.gz LCFSPODQVXGGSM-UHFFFAOYSA-N 2 2 391.523 3.683 20 0 GHADLP CC(C)Oc1ccc([C@H](O)C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000125486252 892707754 /nfs/dbraw/zinc/70/77/54/892707754.db2.gz YRIPAFAPGGPGCB-XMMPIXPASA-N 2 2 397.563 3.832 20 0 GHADLP Fc1ccc(-c2cn(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)c(=S)o2)cc1 ZINC000054518774 892723970 /nfs/dbraw/zinc/72/39/70/892723970.db2.gz MFGNBLUBGKUSEA-UHFFFAOYSA-N 2 2 391.512 3.618 20 0 GHADLP Clc1ccc(-n2cc(C[NH2+]CCCCNc3cccc[nH+]3)nn2)c(Cl)c1 ZINC000533753618 892821051 /nfs/dbraw/zinc/82/10/51/892821051.db2.gz JOCMFDFEGZBKEU-UHFFFAOYSA-N 2 2 391.306 3.951 20 0 GHADLP CN(C(=O)NCC1(C2CC2)CCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000162636506 892923019 /nfs/dbraw/zinc/92/30/19/892923019.db2.gz QSLITLXTBVSFKL-SFTDATJTSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)NCC1(C2CC2)CCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000162636506 892923022 /nfs/dbraw/zinc/92/30/22/892923022.db2.gz QSLITLXTBVSFKL-SFTDATJTSA-N 2 2 390.616 3.545 20 0 GHADLP CC1(C)C[C@@H]([NH2+]Cc2cccc(N3CCOCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000645183927 913735207 /nfs/dbraw/zinc/73/52/07/913735207.db2.gz SQPCTEPVNRDTFN-JOCHJYFZSA-N 2 2 379.548 3.666 20 0 GHADLP CC1(C)C[C@@H]([NH2+]Cc2cccc(N3CCOCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000645183927 913735224 /nfs/dbraw/zinc/73/52/24/913735224.db2.gz SQPCTEPVNRDTFN-JOCHJYFZSA-N 2 2 379.548 3.666 20 0 GHADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H](C)CC[P@@](C)(=O)OCC ZINC000876828288 893352852 /nfs/dbraw/zinc/35/28/52/893352852.db2.gz QDKMQOFZSFXIAL-SOKVYYICSA-N 2 2 397.500 3.972 20 0 GHADLP COc1c(C)c[nH+]c(CNc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c1C ZINC000876858879 893364005 /nfs/dbraw/zinc/36/40/05/893364005.db2.gz KXHMVLVBOCWWHT-UHFFFAOYSA-N 2 2 386.515 3.989 20 0 GHADLP C[NH+](C)CCOC1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000536674117 893509268 /nfs/dbraw/zinc/50/92/68/893509268.db2.gz CLEYJTRBFGRITI-UHFFFAOYSA-N 2 2 375.738 3.645 20 0 GHADLP Cc1ccc(OCc2nc(C[NH+]3CCC(OCC[NH+](C)C)CC3)cs2)cc1 ZINC000536675479 893513517 /nfs/dbraw/zinc/51/35/17/893513517.db2.gz QISNFHLJJAKRLH-UHFFFAOYSA-N 2 2 389.565 3.573 20 0 GHADLP COc1cccc(C[N@H+](C)CCc2c[nH+]cn2C)c1OCc1ccccc1F ZINC000459430001 893517008 /nfs/dbraw/zinc/51/70/08/893517008.db2.gz DGIADXOJZUWWKI-UHFFFAOYSA-N 2 2 383.467 3.821 20 0 GHADLP COc1cccc(C[N@@H+](C)CCc2c[nH+]cn2C)c1OCc1ccccc1F ZINC000459430001 893517024 /nfs/dbraw/zinc/51/70/24/893517024.db2.gz DGIADXOJZUWWKI-UHFFFAOYSA-N 2 2 383.467 3.821 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCc3cc(C(F)(F)F)ccn3)CC2)cc1 ZINC000815148613 893521294 /nfs/dbraw/zinc/52/12/94/893521294.db2.gz BGTNYVCLQHQOCL-UHFFFAOYSA-N 2 2 392.469 3.968 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000563352981 893655153 /nfs/dbraw/zinc/65/51/53/893655153.db2.gz LVBSBBZDBNWSOX-ZDUSSCGKSA-N 2 2 387.281 3.827 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000563352981 893655157 /nfs/dbraw/zinc/65/51/57/893655157.db2.gz LVBSBBZDBNWSOX-ZDUSSCGKSA-N 2 2 387.281 3.827 20 0 GHADLP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000129787208 893971645 /nfs/dbraw/zinc/97/16/45/893971645.db2.gz UQIVMTVWCPAZFB-UXHICEINSA-N 2 2 389.902 3.716 20 0 GHADLP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000129787208 893971647 /nfs/dbraw/zinc/97/16/47/893971647.db2.gz UQIVMTVWCPAZFB-UXHICEINSA-N 2 2 389.902 3.716 20 0 GHADLP CC(C)(C)c1csc(CC2(O)CC[NH+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000879614104 895178399 /nfs/dbraw/zinc/17/83/99/895178399.db2.gz ZKYYSGVVPXUHIA-UHFFFAOYSA-N 2 2 379.614 3.686 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(F)c1 ZINC000564720582 895209251 /nfs/dbraw/zinc/20/92/51/895209251.db2.gz ZFEUSWDPMJSJGN-FPOVZHCZSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(F)c1 ZINC000564720582 895209261 /nfs/dbraw/zinc/20/92/61/895209261.db2.gz ZFEUSWDPMJSJGN-FPOVZHCZSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(F)c1 ZINC000564720582 895209271 /nfs/dbraw/zinc/20/92/71/895209271.db2.gz ZFEUSWDPMJSJGN-FPOVZHCZSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(F)c1 ZINC000564720582 895209283 /nfs/dbraw/zinc/20/92/83/895209283.db2.gz ZFEUSWDPMJSJGN-FPOVZHCZSA-N 2 2 382.479 3.566 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000564934497 895313593 /nfs/dbraw/zinc/31/35/93/895313593.db2.gz NWCZMJJLJCYMCZ-DYXWJJEUSA-N 2 2 389.902 3.821 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000564934497 895313605 /nfs/dbraw/zinc/31/36/05/895313605.db2.gz NWCZMJJLJCYMCZ-DYXWJJEUSA-N 2 2 389.902 3.821 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2)cs1 ZINC000565047670 895368775 /nfs/dbraw/zinc/36/87/75/895368775.db2.gz OJRSCYQEFLUTTA-XLIONFOSSA-N 2 2 384.549 3.521 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2)cs1 ZINC000565047670 895368793 /nfs/dbraw/zinc/36/87/93/895368793.db2.gz OJRSCYQEFLUTTA-XLIONFOSSA-N 2 2 384.549 3.521 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)C[N@H+](C)Cc1ccccc1)c1ccccc1Cl ZINC001136034192 895935070 /nfs/dbraw/zinc/93/50/70/895935070.db2.gz RRQLJTJCQRPHDM-OAQYLSRUSA-N 2 2 387.955 3.971 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)c1ccccc1Cl ZINC001136034192 895935075 /nfs/dbraw/zinc/93/50/75/895935075.db2.gz RRQLJTJCQRPHDM-OAQYLSRUSA-N 2 2 387.955 3.971 20 0 GHADLP CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000566974849 896760113 /nfs/dbraw/zinc/76/01/13/896760113.db2.gz KWVQEYVXFFVWDA-UNMCSNQZSA-N 2 2 398.551 3.608 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ncc(C4OCCO4)s3)cc2)C1 ZINC000289238520 914103929 /nfs/dbraw/zinc/10/39/29/914103929.db2.gz KWLRRKPAABJXAX-INIZCTEOSA-N 2 2 387.549 3.710 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ncc(C4OCCO4)s3)cc2)C1 ZINC000289238520 914103938 /nfs/dbraw/zinc/10/39/38/914103938.db2.gz KWLRRKPAABJXAX-INIZCTEOSA-N 2 2 387.549 3.710 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1sccc1Br ZINC000883288497 897453141 /nfs/dbraw/zinc/45/31/41/897453141.db2.gz HNGUGGJACKILAB-YOEHRIQHSA-N 2 2 394.382 3.948 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1sccc1Br ZINC000883288497 897453150 /nfs/dbraw/zinc/45/31/50/897453150.db2.gz HNGUGGJACKILAB-YOEHRIQHSA-N 2 2 394.382 3.948 20 0 GHADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCCC[C@@H]2Cc2cccc(Br)c2)n1 ZINC000567894596 897475847 /nfs/dbraw/zinc/47/58/47/897475847.db2.gz GYJHDVLKUWAQLS-OAHLLOKOSA-N 2 2 393.329 3.623 20 0 GHADLP CC(C)([NH3+])c1noc(C[N@H+]2CCCC[C@@H]2Cc2cccc(Br)c2)n1 ZINC000567894596 897475855 /nfs/dbraw/zinc/47/58/55/897475855.db2.gz GYJHDVLKUWAQLS-OAHLLOKOSA-N 2 2 393.329 3.623 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)CC1 ZINC000820829801 897571001 /nfs/dbraw/zinc/57/10/01/897571001.db2.gz MMOXSXJQYZGUAL-ZWKOTPCHSA-N 2 2 376.508 3.539 20 0 GHADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000883490406 897622611 /nfs/dbraw/zinc/62/26/11/897622611.db2.gz NETAUTMXRKNYBX-QFIPXVFZSA-N 2 2 395.551 3.721 20 0 GHADLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000883501932 897632830 /nfs/dbraw/zinc/63/28/30/897632830.db2.gz WTGCRXWWZKAWJX-LZBANZJXSA-N 2 2 395.551 3.721 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000132125419 897682977 /nfs/dbraw/zinc/68/29/77/897682977.db2.gz TUWTYSAJDFWCLP-YSTOQKLRSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000132125419 897682982 /nfs/dbraw/zinc/68/29/82/897682982.db2.gz TUWTYSAJDFWCLP-YSTOQKLRSA-N 2 2 377.573 3.629 20 0 GHADLP C[C@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000883601825 897751109 /nfs/dbraw/zinc/75/11/09/897751109.db2.gz HCGXLSRKTXOPAW-CZTZKLFOSA-N 2 2 395.551 3.577 20 0 GHADLP C[C@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000883601825 897751115 /nfs/dbraw/zinc/75/11/15/897751115.db2.gz HCGXLSRKTXOPAW-CZTZKLFOSA-N 2 2 395.551 3.577 20 0 GHADLP CC[NH+](CC)CCC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000568605322 897976865 /nfs/dbraw/zinc/97/68/65/897976865.db2.gz GAIIGOUIRNUXMG-OAHLLOKOSA-N 2 2 397.279 3.823 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000568832126 898142809 /nfs/dbraw/zinc/14/28/09/898142809.db2.gz IHRGTOLZLPNXHC-HXUWFJFHSA-N 2 2 386.499 3.673 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000568832126 898142814 /nfs/dbraw/zinc/14/28/14/898142814.db2.gz IHRGTOLZLPNXHC-HXUWFJFHSA-N 2 2 386.499 3.673 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)CC1 ZINC000108790961 898402241 /nfs/dbraw/zinc/40/22/41/898402241.db2.gz FAIPKDXCEKQCCH-DNQXCXABSA-N 2 2 391.559 3.618 20 0 GHADLP Cc1cc(Oc2ccccc2)ccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001136725812 899047874 /nfs/dbraw/zinc/04/78/74/899047874.db2.gz BLGYSBDWSQVUGJ-LJQANCHMSA-N 2 2 393.531 3.686 20 0 GHADLP Cc1cc(Oc2ccccc2)ccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001136725812 899047888 /nfs/dbraw/zinc/04/78/88/899047888.db2.gz BLGYSBDWSQVUGJ-LJQANCHMSA-N 2 2 393.531 3.686 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1Br ZINC000331953618 899289218 /nfs/dbraw/zinc/28/92/18/899289218.db2.gz PCFOONUXOLYUEE-ZDUSSCGKSA-N 2 2 391.313 3.687 20 0 GHADLP COC(=O)c1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)s1 ZINC000571482914 899883886 /nfs/dbraw/zinc/88/38/86/899883886.db2.gz JVMGYZAYRHTRBA-HNNXBMFYSA-N 2 2 378.563 3.859 20 0 GHADLP COC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)s1 ZINC000571482914 899883890 /nfs/dbraw/zinc/88/38/90/899883890.db2.gz JVMGYZAYRHTRBA-HNNXBMFYSA-N 2 2 378.563 3.859 20 0 GHADLP COC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)s1 ZINC000571482914 899883895 /nfs/dbraw/zinc/88/38/95/899883895.db2.gz JVMGYZAYRHTRBA-HNNXBMFYSA-N 2 2 378.563 3.859 20 0 GHADLP COC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)s1 ZINC000571482914 899883905 /nfs/dbraw/zinc/88/39/05/899883905.db2.gz JVMGYZAYRHTRBA-HNNXBMFYSA-N 2 2 378.563 3.859 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3c(F)cccc3-n3cccn3)CC2)cc1 ZINC000825144790 900003712 /nfs/dbraw/zinc/00/37/12/900003712.db2.gz RHESXHITLUHTML-UHFFFAOYSA-N 2 2 393.510 3.836 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000825257054 900054622 /nfs/dbraw/zinc/05/46/22/900054622.db2.gz SGMHDKAZPFNNFU-NVXWUHKLSA-N 2 2 388.487 3.794 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N3CCCCCC3)C2)s1 ZINC000572763031 900271052 /nfs/dbraw/zinc/27/10/52/900271052.db2.gz BCVRDPYQHLBVDT-OALUTQOASA-N 2 2 377.598 3.601 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)N3CCCCCC3)C2)s1 ZINC000572763031 900271065 /nfs/dbraw/zinc/27/10/65/900271065.db2.gz BCVRDPYQHLBVDT-OALUTQOASA-N 2 2 377.598 3.601 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)N3CCCCCC3)C2)s1 ZINC000572763031 900271075 /nfs/dbraw/zinc/27/10/75/900271075.db2.gz BCVRDPYQHLBVDT-OALUTQOASA-N 2 2 377.598 3.601 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)N3CCCCCC3)C2)s1 ZINC000572763031 900271079 /nfs/dbraw/zinc/27/10/79/900271079.db2.gz BCVRDPYQHLBVDT-OALUTQOASA-N 2 2 377.598 3.601 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)n1cc[nH+]c1 ZINC000844370340 900738283 /nfs/dbraw/zinc/73/82/83/900738283.db2.gz WRODRVREEFJEMF-GOSISDBHSA-N 2 2 397.523 3.678 20 0 GHADLP CCOc1ccccc1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000574416506 900882214 /nfs/dbraw/zinc/88/22/14/900882214.db2.gz YVFRHTQYSKFRME-QFIPXVFZSA-N 2 2 395.547 3.914 20 0 GHADLP CCOc1ccccc1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000574416506 900882222 /nfs/dbraw/zinc/88/22/22/900882222.db2.gz YVFRHTQYSKFRME-QFIPXVFZSA-N 2 2 395.547 3.914 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000574654286 900955597 /nfs/dbraw/zinc/95/55/97/900955597.db2.gz RPZJLNBZMDCIKM-JOCHJYFZSA-N 2 2 395.547 3.914 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000574654286 900955606 /nfs/dbraw/zinc/95/56/06/900955606.db2.gz RPZJLNBZMDCIKM-JOCHJYFZSA-N 2 2 395.547 3.914 20 0 GHADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccc(OC)c(OC)c4)s3)C[C@@H]2C1 ZINC001144071220 901019961 /nfs/dbraw/zinc/01/99/61/901019961.db2.gz SYFFUSYGGWYGKT-CALCHBBNSA-N 2 2 387.549 3.601 20 0 GHADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccc(OC)c(OC)c4)s3)C[C@@H]2C1 ZINC001144071220 901019965 /nfs/dbraw/zinc/01/99/65/901019965.db2.gz SYFFUSYGGWYGKT-CALCHBBNSA-N 2 2 387.549 3.601 20 0 GHADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cnc(-c4ccc(OC)c(OC)c4)s3)C[C@@H]2C1 ZINC001144071220 901019977 /nfs/dbraw/zinc/01/99/77/901019977.db2.gz SYFFUSYGGWYGKT-CALCHBBNSA-N 2 2 387.549 3.601 20 0 GHADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cnc(-c4ccc(OC)c(OC)c4)s3)C[C@@H]2C1 ZINC001144071220 901019983 /nfs/dbraw/zinc/01/99/83/901019983.db2.gz SYFFUSYGGWYGKT-CALCHBBNSA-N 2 2 387.549 3.601 20 0 GHADLP CC(C)(C)OC(=O)NCC1(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000844708710 901183815 /nfs/dbraw/zinc/18/38/15/901183815.db2.gz REJVWRHYPSJSFR-UHFFFAOYSA-N 2 2 376.526 3.718 20 0 GHADLP Fc1ccc2[nH]nc(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccccc3)CCO4)c2c1 ZINC001144196490 901236915 /nfs/dbraw/zinc/23/69/15/901236915.db2.gz JHJJXZVYBUDJGF-UHFFFAOYSA-N 2 2 394.494 3.569 20 0 GHADLP Fc1ccc2[nH]nc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccccc3)CCO4)c2c1 ZINC001144196490 901236927 /nfs/dbraw/zinc/23/69/27/901236927.db2.gz JHJJXZVYBUDJGF-UHFFFAOYSA-N 2 2 394.494 3.569 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000844902375 901484844 /nfs/dbraw/zinc/48/48/44/901484844.db2.gz QGBPFCYCWLOXLQ-JXFKEZNVSA-N 2 2 376.907 3.593 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000844902375 901484848 /nfs/dbraw/zinc/48/48/48/901484848.db2.gz QGBPFCYCWLOXLQ-JXFKEZNVSA-N 2 2 376.907 3.593 20 0 GHADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccccc3-c3[nH+]cc4n3CCCC4)C2)C1 ZINC000333391131 902058238 /nfs/dbraw/zinc/05/82/38/902058238.db2.gz MBSPICDTOPGFNB-QHCPKHFHSA-N 2 2 393.535 3.836 20 0 GHADLP C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccccc3-c3[nH+]cc4n3CCCC4)C2)C1 ZINC000333391131 902058252 /nfs/dbraw/zinc/05/82/52/902058252.db2.gz MBSPICDTOPGFNB-QHCPKHFHSA-N 2 2 393.535 3.836 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124417288 902066911 /nfs/dbraw/zinc/06/69/11/902066911.db2.gz PQZNEXNSODDDTF-LBPRGKRZSA-N 2 2 388.821 3.904 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124417288 902066922 /nfs/dbraw/zinc/06/69/22/902066922.db2.gz PQZNEXNSODDDTF-LBPRGKRZSA-N 2 2 388.821 3.904 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000577219282 902595114 /nfs/dbraw/zinc/59/51/14/902595114.db2.gz YZZNEMKWVSFQFS-YCRPNKLZSA-N 2 2 387.474 3.655 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000577219282 902595118 /nfs/dbraw/zinc/59/51/18/902595118.db2.gz YZZNEMKWVSFQFS-YCRPNKLZSA-N 2 2 387.474 3.655 20 0 GHADLP Cc1ccccc1C1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCCC1 ZINC000577670526 903030305 /nfs/dbraw/zinc/03/03/05/903030305.db2.gz SSFOIFLIWZLHMD-UHFFFAOYSA-N 2 2 397.607 3.873 20 0 GHADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1c(F)cccc1Br ZINC000577676095 903036308 /nfs/dbraw/zinc/03/63/08/903036308.db2.gz SLFUWLALWXUAOY-UHFFFAOYSA-N 2 2 396.304 3.604 20 0 GHADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000264708148 903330370 /nfs/dbraw/zinc/33/03/70/903330370.db2.gz IPBJVYJHCSTILR-UHFFFAOYSA-N 2 2 381.524 3.781 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1C1CC1 ZINC000577986590 903415301 /nfs/dbraw/zinc/41/53/01/903415301.db2.gz GHQYOHXDCHCGQP-XLIONFOSSA-N 2 2 393.531 3.746 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1C1CC1 ZINC000577986590 903415306 /nfs/dbraw/zinc/41/53/06/903415306.db2.gz GHQYOHXDCHCGQP-XLIONFOSSA-N 2 2 393.531 3.746 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc4ccc(C)nc43)CC2)CC1 ZINC000578616160 904010068 /nfs/dbraw/zinc/01/00/68/904010068.db2.gz YHRSAYLACHKJLV-UHFFFAOYSA-N 2 2 395.551 3.567 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc4ccc(C)nc43)CC2)CC1 ZINC000578616160 904010075 /nfs/dbraw/zinc/01/00/75/904010075.db2.gz YHRSAYLACHKJLV-UHFFFAOYSA-N 2 2 395.551 3.567 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151689643 904179371 /nfs/dbraw/zinc/17/93/71/904179371.db2.gz KRRQZJYSXGZYGK-JKSUJKDBSA-N 2 2 384.505 3.656 20 0 GHADLP COC(=O)c1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1F ZINC000579014616 904292644 /nfs/dbraw/zinc/29/26/44/904292644.db2.gz TXQFMAGTAFHZMF-QGZVFWFLSA-N 2 2 390.524 3.936 20 0 GHADLP COC(=O)c1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1F ZINC000579014616 904292654 /nfs/dbraw/zinc/29/26/54/904292654.db2.gz TXQFMAGTAFHZMF-QGZVFWFLSA-N 2 2 390.524 3.936 20 0 GHADLP COC(=O)c1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1F ZINC000579014616 904292663 /nfs/dbraw/zinc/29/26/63/904292663.db2.gz TXQFMAGTAFHZMF-QGZVFWFLSA-N 2 2 390.524 3.936 20 0 GHADLP COC(=O)c1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1F ZINC000579014616 904292676 /nfs/dbraw/zinc/29/26/76/904292676.db2.gz TXQFMAGTAFHZMF-QGZVFWFLSA-N 2 2 390.524 3.936 20 0 GHADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1)C1CC1 ZINC000579531346 904678572 /nfs/dbraw/zinc/67/85/72/904678572.db2.gz YQHUKIMBGSHZBX-MRXNPFEDSA-N 2 2 379.957 3.584 20 0 GHADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1)C1CC1 ZINC000579531346 904678577 /nfs/dbraw/zinc/67/85/77/904678577.db2.gz YQHUKIMBGSHZBX-MRXNPFEDSA-N 2 2 379.957 3.584 20 0 GHADLP CN(CCCC[NH+]1CCCCC1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890242599 904952852 /nfs/dbraw/zinc/95/28/52/904952852.db2.gz REAUZMJRRCKJRK-OAQYLSRUSA-N 2 2 383.540 3.532 20 0 GHADLP C[NH+](C)C[C@@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)c1ccc(Cl)cc1 ZINC001186896024 914858672 /nfs/dbraw/zinc/85/86/72/914858672.db2.gz KSOOCVCIFIYURK-OAHLLOKOSA-N 2 2 386.931 3.992 20 0 GHADLP CCOC(=O)C1(C)CCC([N@@H+]2CC[C@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001171953905 905161084 /nfs/dbraw/zinc/16/10/84/905161084.db2.gz XHWSREVXVVFFIH-LCUHEZEJSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)C1(C)CCC([N@H+]2CC[C@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001171953905 905161086 /nfs/dbraw/zinc/16/10/86/905161086.db2.gz XHWSREVXVVFFIH-LCUHEZEJSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)C1(C)CCC([NH+]2CC[C@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)CC1 ZINC001171953905 905161089 /nfs/dbraw/zinc/16/10/89/905161089.db2.gz XHWSREVXVVFFIH-LCUHEZEJSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)C1(C)CCC([NH+]2CC[C@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001171953905 905161093 /nfs/dbraw/zinc/16/10/93/905161093.db2.gz XHWSREVXVVFFIH-LCUHEZEJSA-N 2 2 391.581 3.551 20 0 GHADLP Cc1cc(C)nc(N2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)n1 ZINC001171984015 905239942 /nfs/dbraw/zinc/23/99/42/905239942.db2.gz HUKXWLSDMINBNH-QFIPXVFZSA-N 2 2 393.579 3.659 20 0 GHADLP Cc1cc(C)nc(N2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)n1 ZINC001171984015 905239956 /nfs/dbraw/zinc/23/99/56/905239956.db2.gz HUKXWLSDMINBNH-QFIPXVFZSA-N 2 2 393.579 3.659 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]Cc2ccnc(OCC4CC4)n2)C3)cc1 ZINC001172071864 905274796 /nfs/dbraw/zinc/27/47/96/905274796.db2.gz ZXGNQTBZKIJSHY-WBDAEOGXSA-N 2 2 392.547 3.941 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]Cc2ccnc(OCC4CC4)n2)C3)cc1 ZINC001172071864 905274811 /nfs/dbraw/zinc/27/48/11/905274811.db2.gz ZXGNQTBZKIJSHY-WBDAEOGXSA-N 2 2 392.547 3.941 20 0 GHADLP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nnc2ccccn21 ZINC001172064541 905327698 /nfs/dbraw/zinc/32/76/98/905327698.db2.gz HAVVRTMDXRYIGI-AYWYSENESA-N 2 2 375.520 3.966 20 0 GHADLP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nnc2ccccn21 ZINC001172064541 905327714 /nfs/dbraw/zinc/32/77/14/905327714.db2.gz HAVVRTMDXRYIGI-AYWYSENESA-N 2 2 375.520 3.966 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)CC1 ZINC001172215870 905419099 /nfs/dbraw/zinc/41/90/99/905419099.db2.gz MALISNXLLRKMLH-GJRMFYPFSA-N 2 2 390.955 3.719 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)CC1 ZINC001172215870 905419104 /nfs/dbraw/zinc/41/91/04/905419104.db2.gz MALISNXLLRKMLH-GJRMFYPFSA-N 2 2 390.955 3.719 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)CC1 ZINC001172215870 905419117 /nfs/dbraw/zinc/41/91/17/905419117.db2.gz MALISNXLLRKMLH-GJRMFYPFSA-N 2 2 390.955 3.719 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)CC1 ZINC001172215870 905419124 /nfs/dbraw/zinc/41/91/24/905419124.db2.gz MALISNXLLRKMLH-GJRMFYPFSA-N 2 2 390.955 3.719 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](CC4CCC4)C3)CC[C@H]2C1 ZINC001172520867 905581655 /nfs/dbraw/zinc/58/16/55/905581655.db2.gz RBRPXSNAWLJELM-ZJZGAYNASA-N 2 2 395.591 3.781 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](CC4CCC4)C3)CC[C@H]2C1 ZINC001172520867 905581666 /nfs/dbraw/zinc/58/16/66/905581666.db2.gz RBRPXSNAWLJELM-ZJZGAYNASA-N 2 2 395.591 3.781 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)CC[C@H]2C1 ZINC001172520932 905582017 /nfs/dbraw/zinc/58/20/17/905582017.db2.gz RPOYAUDTZLTASZ-CMOCDZPBSA-N 2 2 381.564 3.534 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](C4CCC4)C3)CC[C@H]2C1 ZINC001172520932 905582033 /nfs/dbraw/zinc/58/20/33/905582033.db2.gz RPOYAUDTZLTASZ-CMOCDZPBSA-N 2 2 381.564 3.534 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@H](n3cc[nH+]c3[C@@H]3CCC[NH2+]C3)CC[C@H]2C1 ZINC001172532617 905594343 /nfs/dbraw/zinc/59/43/43/905594343.db2.gz UQNOQJYZEQIGMU-LNRXMEIDSA-N 2 2 392.547 3.854 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC(C3CCC3)C3CCC3)CC2)CC1 ZINC000627794622 905755078 /nfs/dbraw/zinc/75/50/78/905755078.db2.gz JCERIGPXMUHZBT-UHFFFAOYSA-N 2 2 375.601 3.612 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC(C3CCC3)C3CCC3)CC2)CC1 ZINC000627794622 905755082 /nfs/dbraw/zinc/75/50/82/905755082.db2.gz JCERIGPXMUHZBT-UHFFFAOYSA-N 2 2 375.601 3.612 20 0 GHADLP CSc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000176120408 905761225 /nfs/dbraw/zinc/76/12/25/905761225.db2.gz OITBKDIJZLFONV-UHFFFAOYSA-N 2 2 384.977 3.552 20 0 GHADLP CSc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000176120408 905761238 /nfs/dbraw/zinc/76/12/38/905761238.db2.gz OITBKDIJZLFONV-UHFFFAOYSA-N 2 2 384.977 3.552 20 0 GHADLP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)CC1 ZINC001172778673 905819564 /nfs/dbraw/zinc/81/95/64/905819564.db2.gz NGMIQAUMUVXRMU-IEBWSBKVSA-N 2 2 376.516 3.810 20 0 GHADLP Cn1nccc1[C@H]1[C@H](C[NH2+]CCc2cccc(C(F)(F)F)c2)CCC[N@@H+]1C ZINC000628270207 906033439 /nfs/dbraw/zinc/03/34/39/906033439.db2.gz SDNXUNMXUZZYOD-QFBILLFUSA-N 2 2 380.458 3.654 20 0 GHADLP Cn1nccc1[C@H]1[C@H](C[NH2+]CCc2cccc(C(F)(F)F)c2)CCC[N@H+]1C ZINC000628270207 906033450 /nfs/dbraw/zinc/03/34/50/906033450.db2.gz SDNXUNMXUZZYOD-QFBILLFUSA-N 2 2 380.458 3.654 20 0 GHADLP COc1ccccc1C1([NH3+])CC[NH+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172953602 906058938 /nfs/dbraw/zinc/05/89/38/906058938.db2.gz BYTOOWUHJQWVEY-KRWDZBQOSA-N 2 2 391.556 3.591 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ncc(Br)s1 ZINC000179219878 906450278 /nfs/dbraw/zinc/45/02/78/906450278.db2.gz PBEZGSLILZBTIK-LBPRGKRZSA-N 2 2 384.343 3.697 20 0 GHADLP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H](C[NH3+])c1ccc(Br)cc1)CC2 ZINC001173618597 906566399 /nfs/dbraw/zinc/56/63/99/906566399.db2.gz RHAIVJQZEUZDAP-VIHIWDAPSA-N 2 2 395.341 3.551 20 0 GHADLP C[C@@H]1CC([NH2+]CC2C[NH+](Cc3ccccc3)C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173673230 906610516 /nfs/dbraw/zinc/61/05/16/906610516.db2.gz LCDYDOIAFBXZDZ-QZTJIDSGSA-N 2 2 387.568 3.885 20 0 GHADLP CC(C)[NH2+]C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000179834356 906614006 /nfs/dbraw/zinc/61/40/06/906614006.db2.gz IGAZUHZXXGQURB-UHFFFAOYSA-N 2 2 375.520 3.897 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)C1 ZINC001173652529 906637881 /nfs/dbraw/zinc/63/78/81/906637881.db2.gz REQOMFYOADMYOA-LAUBAEHRSA-N 2 2 376.516 3.810 20 0 GHADLP CC(CC[NH+]1CCC(c2ncc[nH]2)CC1)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299219980 921256208 /nfs/dbraw/zinc/25/62/08/921256208.db2.gz IIDBGVVKZHHOSW-UHFFFAOYSA-N 3 2 384.572 3.608 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000779403828 906789026 /nfs/dbraw/zinc/78/90/26/906789026.db2.gz JAHIINQXOAJVQK-MJGOQNOKSA-N 2 2 397.604 3.644 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181237454 906952423 /nfs/dbraw/zinc/95/24/23/906952423.db2.gz RQWOTEDZNMACDN-UHFFFAOYSA-N 2 2 379.552 3.834 20 0 GHADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181237454 906952435 /nfs/dbraw/zinc/95/24/35/906952435.db2.gz RQWOTEDZNMACDN-UHFFFAOYSA-N 2 2 379.552 3.834 20 0 GHADLP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C12CCC2 ZINC001174572739 907090642 /nfs/dbraw/zinc/09/06/42/907090642.db2.gz AUZQBQMOJBCNFS-FGZHOGPDSA-N 2 2 385.596 3.915 20 0 GHADLP O=C(CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)NCc1ccccc1Cl ZINC001175669934 907681664 /nfs/dbraw/zinc/68/16/64/907681664.db2.gz WBADKFNMXJOKRS-HXUWFJFHSA-N 2 2 382.895 3.574 20 0 GHADLP C[C@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185671781 907810970 /nfs/dbraw/zinc/81/09/70/907810970.db2.gz AXLPZEZKDGPHSC-HOTGVXAUSA-N 2 2 386.565 3.502 20 0 GHADLP C[C@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185671781 907810976 /nfs/dbraw/zinc/81/09/76/907810976.db2.gz AXLPZEZKDGPHSC-HOTGVXAUSA-N 2 2 386.565 3.502 20 0 GHADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2c(Cl)cncc2Cl)CC1 ZINC001177293959 908499086 /nfs/dbraw/zinc/49/90/86/908499086.db2.gz BTGOZCIMFCBKDU-UHFFFAOYSA-N 2 2 393.362 3.816 20 0 GHADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000191838217 908682908 /nfs/dbraw/zinc/68/29/08/908682908.db2.gz CYSIVXUYUQDOFF-WZONZLPQSA-N 2 2 381.520 3.587 20 0 GHADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000191838217 908682910 /nfs/dbraw/zinc/68/29/10/908682910.db2.gz CYSIVXUYUQDOFF-WZONZLPQSA-N 2 2 381.520 3.587 20 0 GHADLP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635474724 909263921 /nfs/dbraw/zinc/26/39/21/909263921.db2.gz YHRFIUSGDUFTCF-HXUWFJFHSA-N 2 2 386.565 3.966 20 0 GHADLP CC(C)C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)n1cc[nH+]c1 ZINC000635547294 909284918 /nfs/dbraw/zinc/28/49/18/909284918.db2.gz FLGRYYMWTBOJAD-LQCXBHPOSA-N 2 2 380.536 3.782 20 0 GHADLP CC(C)C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)n1cc[nH+]c1 ZINC000635547294 909284935 /nfs/dbraw/zinc/28/49/35/909284935.db2.gz FLGRYYMWTBOJAD-LQCXBHPOSA-N 2 2 380.536 3.782 20 0 GHADLP COc1ccc(-c2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cs2)c(OC)c1 ZINC000266760672 909291468 /nfs/dbraw/zinc/29/14/68/909291468.db2.gz QCOQWJMQMIYMHG-UHFFFAOYSA-N 2 2 384.505 3.930 20 0 GHADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000635747021 909338133 /nfs/dbraw/zinc/33/81/33/909338133.db2.gz OIEZZOPISIAXNI-DNVCBOLYSA-N 2 2 392.906 3.608 20 0 GHADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000635747021 909338150 /nfs/dbraw/zinc/33/81/50/909338150.db2.gz OIEZZOPISIAXNI-DNVCBOLYSA-N 2 2 392.906 3.608 20 0 GHADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000635760673 909341685 /nfs/dbraw/zinc/34/16/85/909341685.db2.gz VCZJMZYBCUQEPV-KRWDZBQOSA-N 2 2 380.414 3.654 20 0 GHADLP Clc1ccc(N2CCO[C@@H](C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC001179159309 909405545 /nfs/dbraw/zinc/40/55/45/909405545.db2.gz MARILKPKDFKQGM-NRFANRHFSA-N 2 2 382.895 3.521 20 0 GHADLP C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000268758331 910001963 /nfs/dbraw/zinc/00/19/63/910001963.db2.gz KGHQZRCGBSMTNL-VGOFRKELSA-N 2 2 396.510 3.940 20 0 GHADLP Cc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)nc(C)[nH+]1 ZINC000269053146 910120099 /nfs/dbraw/zinc/12/00/99/910120099.db2.gz IOZGHYVHKUZKQD-JPYJTQIMSA-N 3 2 393.579 3.562 20 0 GHADLP Cc1cc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)nc(C)[nH+]1 ZINC000269053146 910120110 /nfs/dbraw/zinc/12/01/10/910120110.db2.gz IOZGHYVHKUZKQD-JPYJTQIMSA-N 3 2 393.579 3.562 20 0 GHADLP COCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638331667 910120791 /nfs/dbraw/zinc/12/07/91/910120791.db2.gz JPKFZHHDMMGGTM-OFNKIYASSA-N 2 2 393.531 3.729 20 0 GHADLP COCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638331667 910120798 /nfs/dbraw/zinc/12/07/98/910120798.db2.gz JPKFZHHDMMGGTM-OFNKIYASSA-N 2 2 393.531 3.729 20 0 GHADLP CC(=O)N(c1nc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cs1)c1ccccc1 ZINC000638335653 910124674 /nfs/dbraw/zinc/12/46/74/910124674.db2.gz QWDVWZVEPKLCIT-OAHLLOKOSA-N 2 2 383.521 3.759 20 0 GHADLP CC(C)(C)[NH+]1CC(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC001180821059 910362706 /nfs/dbraw/zinc/36/27/06/910362706.db2.gz WWOPPZQTJCSJMU-UHFFFAOYSA-N 2 2 398.378 3.804 20 0 GHADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639247327 910364904 /nfs/dbraw/zinc/36/49/04/910364904.db2.gz STKAKHLDGKCEID-LQBOVUBWSA-N 2 2 378.520 3.675 20 0 GHADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639247327 910364917 /nfs/dbraw/zinc/36/49/17/910364917.db2.gz STKAKHLDGKCEID-LQBOVUBWSA-N 2 2 378.520 3.675 20 0 GHADLP FC(F)(F)[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)n1cccn1 ZINC000639345114 910393071 /nfs/dbraw/zinc/39/30/71/910393071.db2.gz DQYCGENTQBVZGP-NEWSRXKRSA-N 2 2 378.442 3.944 20 0 GHADLP FC(F)(F)[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)n1cccn1 ZINC000639345114 910393082 /nfs/dbraw/zinc/39/30/82/910393082.db2.gz DQYCGENTQBVZGP-NEWSRXKRSA-N 2 2 378.442 3.944 20 0 GHADLP COc1ncc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c2ccccc21 ZINC000639515961 910480242 /nfs/dbraw/zinc/48/02/42/910480242.db2.gz ZUGZBBYHWHSRAA-UHFFFAOYSA-N 2 2 390.531 3.777 20 0 GHADLP COc1ncc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c2ccccc21 ZINC000639515961 910480248 /nfs/dbraw/zinc/48/02/48/910480248.db2.gz ZUGZBBYHWHSRAA-UHFFFAOYSA-N 2 2 390.531 3.777 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000270238181 910491498 /nfs/dbraw/zinc/49/14/98/910491498.db2.gz JFGVQPFEOHAQPH-UHFFFAOYSA-N 2 2 379.508 3.596 20 0 GHADLP CCc1cc2c(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc(=O)oc2cc1O ZINC000246876543 910721774 /nfs/dbraw/zinc/72/17/74/910721774.db2.gz QGTLSCFIPKJORV-JXFKEZNVSA-N 2 2 382.504 3.510 20 0 GHADLP CCc1cc2c(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc(=O)oc2cc1O ZINC000246876543 910721780 /nfs/dbraw/zinc/72/17/80/910721780.db2.gz QGTLSCFIPKJORV-JXFKEZNVSA-N 2 2 382.504 3.510 20 0 GHADLP CCc1cc2c(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc(=O)oc2cc1O ZINC000246876543 910721792 /nfs/dbraw/zinc/72/17/92/910721792.db2.gz QGTLSCFIPKJORV-JXFKEZNVSA-N 2 2 382.504 3.510 20 0 GHADLP CCc1cc2c(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc(=O)oc2cc1O ZINC000246876543 910721801 /nfs/dbraw/zinc/72/18/01/910721801.db2.gz QGTLSCFIPKJORV-JXFKEZNVSA-N 2 2 382.504 3.510 20 0 GHADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001181348344 910741691 /nfs/dbraw/zinc/74/16/91/910741691.db2.gz CUZRNTLXFNGZJE-ZWNOBZJWSA-N 2 2 380.357 3.842 20 0 GHADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001181348344 910741699 /nfs/dbraw/zinc/74/16/99/910741699.db2.gz CUZRNTLXFNGZJE-ZWNOBZJWSA-N 2 2 380.357 3.842 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2ccnc(C[NH+](C)C)c2)cc1 ZINC000640608849 911084376 /nfs/dbraw/zinc/08/43/76/911084376.db2.gz BOFRFUHMWNMBEF-HNNXBMFYSA-N 2 2 378.480 3.520 20 0 GHADLP CN(CCCC[NH+]1CCCCC1)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000641806700 911522154 /nfs/dbraw/zinc/52/21/54/911522154.db2.gz CZIFQDFUAJLBRK-NRFANRHFSA-N 2 2 397.567 3.611 20 0 GHADLP c1cn(-c2ccc(-c3noc(-c4csc(C5CC[NH2+]CC5)n4)n3)cc2)c[nH+]1 ZINC001212933197 911722311 /nfs/dbraw/zinc/72/23/11/911722311.db2.gz UNZSXDPTKUZEAF-UHFFFAOYSA-N 2 2 378.461 3.513 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774435561 911744102 /nfs/dbraw/zinc/74/41/02/911744102.db2.gz LFKDYJNOTUSJEZ-VLIAUNLRSA-N 2 2 394.346 3.863 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774435561 911744113 /nfs/dbraw/zinc/74/41/13/911744113.db2.gz LFKDYJNOTUSJEZ-VLIAUNLRSA-N 2 2 394.346 3.863 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001182634386 911911196 /nfs/dbraw/zinc/91/11/96/911911196.db2.gz LLBIABCAEWQRPU-OLMNPRSZSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001182634386 911911203 /nfs/dbraw/zinc/91/12/03/911911203.db2.gz LLBIABCAEWQRPU-OLMNPRSZSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001182864686 912089395 /nfs/dbraw/zinc/08/93/95/912089395.db2.gz KJZUSDJBPBIHHI-ZWKOTPCHSA-N 2 2 385.552 3.694 20 0 GHADLP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001182864686 912089424 /nfs/dbraw/zinc/08/94/24/912089424.db2.gz KJZUSDJBPBIHHI-ZWKOTPCHSA-N 2 2 385.552 3.694 20 0 GHADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCc1cccs1 ZINC000647241719 915098604 /nfs/dbraw/zinc/09/86/04/915098604.db2.gz VWDVVOUBNUSUBX-TZIWHRDSSA-N 2 2 397.588 3.930 20 0 GHADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCc1cccs1 ZINC000647241719 915098623 /nfs/dbraw/zinc/09/86/23/915098623.db2.gz VWDVVOUBNUSUBX-TZIWHRDSSA-N 2 2 397.588 3.930 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000647249270 915105452 /nfs/dbraw/zinc/10/54/52/915105452.db2.gz OXWMGNSFSAKONP-GATIMQMVSA-N 3 2 377.576 3.975 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000647249270 915105460 /nfs/dbraw/zinc/10/54/60/915105460.db2.gz OXWMGNSFSAKONP-GATIMQMVSA-N 3 2 377.576 3.975 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000647249270 915105471 /nfs/dbraw/zinc/10/54/71/915105471.db2.gz OXWMGNSFSAKONP-GATIMQMVSA-N 3 2 377.576 3.975 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000647249270 915105478 /nfs/dbraw/zinc/10/54/78/915105478.db2.gz OXWMGNSFSAKONP-GATIMQMVSA-N 3 2 377.576 3.975 20 0 GHADLP C[NH+](C)C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000802042594 921778431 /nfs/dbraw/zinc/77/84/31/921778431.db2.gz SYNVHMQEPZLXFY-HXUWFJFHSA-N 2 2 397.910 3.628 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCc4cccnc43)CC2)cc1 ZINC000648751269 915859898 /nfs/dbraw/zinc/85/98/98/915859898.db2.gz CRCBEUKYXAGWDX-QFIPXVFZSA-N 2 2 378.520 3.672 20 0 GHADLP COc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1F ZINC000648751288 915860702 /nfs/dbraw/zinc/86/07/02/915860702.db2.gz PZYPALJWCUGWIW-UHFFFAOYSA-N 2 2 385.483 3.547 20 0 GHADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000292855498 915875992 /nfs/dbraw/zinc/87/59/92/915875992.db2.gz ZQJKQAZCTBOWJZ-RTBURBONSA-N 2 2 387.549 3.683 20 0 GHADLP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000649413546 916145524 /nfs/dbraw/zinc/14/55/24/916145524.db2.gz HWUSFKQRZYNNGE-VJBMBRPKSA-N 2 2 392.547 3.685 20 0 GHADLP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000649413546 916145536 /nfs/dbraw/zinc/14/55/36/916145536.db2.gz HWUSFKQRZYNNGE-VJBMBRPKSA-N 2 2 392.547 3.685 20 0 GHADLP Fc1ccc([C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)c2nnc[nH]2)cc1 ZINC000293622976 916296243 /nfs/dbraw/zinc/29/62/43/916296243.db2.gz HCIKUYOQNLMZFP-IBGZPJMESA-N 2 2 385.512 3.597 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cs2)cc1OC ZINC000652350746 917877729 /nfs/dbraw/zinc/87/77/29/917877729.db2.gz DUGYYRAVFZZWPO-KKSFZXQISA-N 2 2 387.549 3.778 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cs2)cc1OC ZINC000652350746 917877740 /nfs/dbraw/zinc/87/77/40/917877740.db2.gz DUGYYRAVFZZWPO-KKSFZXQISA-N 2 2 387.549 3.778 20 0 GHADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000654655989 919274568 /nfs/dbraw/zinc/27/45/68/919274568.db2.gz UNRUXZRGDVBIQB-QHCPKHFHSA-N 2 2 394.563 3.944 20 0 GHADLP Cc1c(O)ccc2c(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc(=O)oc12 ZINC000800404743 920035497 /nfs/dbraw/zinc/03/54/97/920035497.db2.gz RURMPCZSQZRTKP-MRXNPFEDSA-N 2 2 393.487 3.719 20 0 GHADLP Cc1c(O)ccc2c(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc(=O)oc12 ZINC000800404743 920035510 /nfs/dbraw/zinc/03/55/10/920035510.db2.gz RURMPCZSQZRTKP-MRXNPFEDSA-N 2 2 393.487 3.719 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(-n2cc[nH+]c2)c1 ZINC000902948101 922630286 /nfs/dbraw/zinc/63/02/86/922630286.db2.gz PLLUZGWENZYNIC-CYFREDJKSA-N 3 2 390.531 3.680 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(-n2cc[nH+]c2)c1 ZINC000902948101 922630297 /nfs/dbraw/zinc/63/02/97/922630297.db2.gz PLLUZGWENZYNIC-CYFREDJKSA-N 3 2 390.531 3.680 20 0 GHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C[C@@H]1C ZINC000676759752 924064510 /nfs/dbraw/zinc/06/45/10/924064510.db2.gz YPVXOIUBRGYJPZ-ONTIZHBOSA-N 2 2 397.567 3.755 20 0 GHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C[C@@H]1C ZINC000676759752 924064525 /nfs/dbraw/zinc/06/45/25/924064525.db2.gz YPVXOIUBRGYJPZ-ONTIZHBOSA-N 2 2 397.567 3.755 20 0 GHADLP Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(N4CC[NH+](C(C)C)CC4)CC3)o2)cc1 ZINC000677737795 924472984 /nfs/dbraw/zinc/47/29/84/924472984.db2.gz CHZFQLJMXHLKDF-IBGZPJMESA-N 2 2 397.567 3.596 20 0 GHADLP Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(N4CC[NH+](C(C)C)CC4)CC3)o2)cc1 ZINC000677737798 924473061 /nfs/dbraw/zinc/47/30/61/924473061.db2.gz CHZFQLJMXHLKDF-LJQANCHMSA-N 2 2 397.567 3.596 20 0 GHADLP CCCn1c(C)nnc1C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000371230335 924485020 /nfs/dbraw/zinc/48/50/20/924485020.db2.gz QGWGZASRGHTNSC-UHFFFAOYSA-N 2 2 399.587 3.709 20 0 GHADLP CCCn1c(C)nnc1C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000371230335 924485029 /nfs/dbraw/zinc/48/50/29/924485029.db2.gz QGWGZASRGHTNSC-UHFFFAOYSA-N 2 2 399.587 3.709 20 0 GHADLP O=C(C[NH2+][C@H](CC1CC1)c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000678777726 924917280 /nfs/dbraw/zinc/91/72/80/924917280.db2.gz VWVQFCJLXVNNHE-OAQYLSRUSA-N 2 2 383.561 3.523 20 0 GHADLP CS[C@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)C[C@@H]1[NH+](C)C ZINC000409726871 924922140 /nfs/dbraw/zinc/92/21/40/924922140.db2.gz JGENNRMAHXPIEG-KBPBESRZSA-N 2 2 384.318 3.618 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1 ZINC000678807381 924931611 /nfs/dbraw/zinc/93/16/11/924931611.db2.gz NGAMDFBZVVZQHL-XOBRGWDASA-N 2 2 399.491 3.889 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(C)C ZINC000410065808 925293491 /nfs/dbraw/zinc/29/34/91/925293491.db2.gz KXEDRQZJBIWCEI-LJQANCHMSA-N 2 2 389.588 3.617 20 0 GHADLP CC(C)c1ccccc1OC[C@H](O)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372573852 925547519 /nfs/dbraw/zinc/54/75/19/925547519.db2.gz MXSOOMCAUFNCRY-IMSXRSKXSA-N 2 2 397.563 3.570 20 0 GHADLP CC(C)c1ccccc1OC[C@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372573852 925547523 /nfs/dbraw/zinc/54/75/23/925547523.db2.gz MXSOOMCAUFNCRY-IMSXRSKXSA-N 2 2 397.563 3.570 20 0 GHADLP CC(C)c1ccccc1OC[C@H](O)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372573852 925547529 /nfs/dbraw/zinc/54/75/29/925547529.db2.gz MXSOOMCAUFNCRY-IMSXRSKXSA-N 2 2 397.563 3.570 20 0 GHADLP CC(C)c1ccccc1OC[C@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372573852 925547534 /nfs/dbraw/zinc/54/75/34/925547534.db2.gz MXSOOMCAUFNCRY-IMSXRSKXSA-N 2 2 397.563 3.570 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ncnn2-c2ccccc2)CC1 ZINC000410343298 925555765 /nfs/dbraw/zinc/55/57/65/925555765.db2.gz BWPQHIHUCFITAK-UHFFFAOYSA-N 2 2 375.520 3.611 20 0 GHADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ncnn2-c2ccccc2)CC1 ZINC000410343298 925555768 /nfs/dbraw/zinc/55/57/68/925555768.db2.gz BWPQHIHUCFITAK-UHFFFAOYSA-N 2 2 375.520 3.611 20 0 GHADLP O[C@@H]1CCC[C@@]1(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)Cc1ccc(F)cc1 ZINC000372994085 925805252 /nfs/dbraw/zinc/80/52/52/925805252.db2.gz AFYYPOLFFCFMOE-RPWUZVMVSA-N 2 2 397.538 3.549 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001137453702 925843803 /nfs/dbraw/zinc/84/38/03/925843803.db2.gz AJYASFDHZJDCFY-XMMPIXPASA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001137453702 925843808 /nfs/dbraw/zinc/84/38/08/925843808.db2.gz AJYASFDHZJDCFY-XMMPIXPASA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001137453702 925843817 /nfs/dbraw/zinc/84/38/17/925843817.db2.gz AJYASFDHZJDCFY-XMMPIXPASA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001137453702 925843828 /nfs/dbraw/zinc/84/38/28/925843828.db2.gz AJYASFDHZJDCFY-XMMPIXPASA-N 2 2 394.515 3.580 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000373550907 926241169 /nfs/dbraw/zinc/24/11/69/926241169.db2.gz XVOJTIRAQBGLCV-RDPSFJRHSA-N 2 2 378.564 3.798 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000373550907 926241177 /nfs/dbraw/zinc/24/11/77/926241177.db2.gz XVOJTIRAQBGLCV-RDPSFJRHSA-N 2 2 378.564 3.798 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000411424937 926378532 /nfs/dbraw/zinc/37/85/32/926378532.db2.gz LKEJOBJOYSVZMB-HNNXBMFYSA-N 2 2 394.441 3.722 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000411424937 926378553 /nfs/dbraw/zinc/37/85/53/926378553.db2.gz LKEJOBJOYSVZMB-HNNXBMFYSA-N 2 2 394.441 3.722 20 0 GHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411626577 926571226 /nfs/dbraw/zinc/57/12/26/926571226.db2.gz XCGJCNZRJUJCPF-UHFFFAOYSA-N 2 2 392.478 3.927 20 0 GHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000726236999 926601695 /nfs/dbraw/zinc/60/16/95/926601695.db2.gz IQEICDMDQJBPGB-GHTZIAJQSA-N 2 2 389.503 3.507 20 0 GHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000726236999 926601706 /nfs/dbraw/zinc/60/17/06/926601706.db2.gz IQEICDMDQJBPGB-GHTZIAJQSA-N 2 2 389.503 3.507 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412010783 927006700 /nfs/dbraw/zinc/00/67/00/927006700.db2.gz MKDGXTPTBUHOIF-HSZRJFAPSA-N 2 2 391.515 3.801 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1Br ZINC000751579224 928260008 /nfs/dbraw/zinc/26/00/08/928260008.db2.gz ZYMGUKREANMPSP-GOSISDBHSA-N 2 2 390.256 3.597 20 0 GHADLP COC(=O)c1cccc(-c2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cs2)c1 ZINC000467148279 928759137 /nfs/dbraw/zinc/75/91/37/928759137.db2.gz PUPZGTYKMRUPFK-UHFFFAOYSA-N 2 2 382.489 3.699 20 0 GHADLP CC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000544178548 928895749 /nfs/dbraw/zinc/89/57/49/928895749.db2.gz NTBLTLSVLCXGQJ-NHCUHLMSSA-N 2 2 392.532 3.992 20 0 GHADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000758485941 930059256 /nfs/dbraw/zinc/05/92/56/930059256.db2.gz QPJNXTYJVDBYQD-QFIPXVFZSA-N 2 2 396.579 3.903 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000469765837 930146363 /nfs/dbraw/zinc/14/63/63/930146363.db2.gz CDYZEFKGULLXGE-MPGHIAIKSA-N 2 2 399.938 3.533 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000469765837 930146364 /nfs/dbraw/zinc/14/63/64/930146364.db2.gz CDYZEFKGULLXGE-MPGHIAIKSA-N 2 2 399.938 3.533 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccc(F)cc3)no2)[C@H](C)C1 ZINC000469766568 930146910 /nfs/dbraw/zinc/14/69/10/930146910.db2.gz CLMBCVAQAJNLJE-UZLBHIALSA-N 2 2 375.488 3.707 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccc(F)cc3)no2)[C@H](C)C1 ZINC000469766568 930146918 /nfs/dbraw/zinc/14/69/18/930146918.db2.gz CLMBCVAQAJNLJE-UZLBHIALSA-N 2 2 375.488 3.707 20 0 GHADLP C[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000469838668 930194839 /nfs/dbraw/zinc/19/48/39/930194839.db2.gz OIYJYJONPCWSNB-UXHICEINSA-N 2 2 387.572 3.664 20 0 GHADLP CCOc1cccc2cc([C@@H](C)[NH2+]C3CC[NH+](CCCC(=O)OC)CC3)oc21 ZINC000546619188 930299862 /nfs/dbraw/zinc/29/98/62/930299862.db2.gz XMALHNIALMLSTA-MRXNPFEDSA-N 2 2 388.508 3.900 20 0 GHADLP CCc1cc2c(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cc(=O)oc2cc1O ZINC000783028609 931389996 /nfs/dbraw/zinc/38/99/96/931389996.db2.gz AVDOSKCGBGUIGB-UHFFFAOYSA-N 2 2 395.503 3.950 20 0 GHADLP CC[NH+](CC)CCNC(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000557646265 931591282 /nfs/dbraw/zinc/59/12/82/931591282.db2.gz PYIIBHTYQXUIAA-UHFFFAOYSA-N 2 2 391.519 3.556 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H]2CCCc3oc(C)nc32)CC1 ZINC000924963324 931596701 /nfs/dbraw/zinc/59/67/01/931596701.db2.gz XKZSCUKFKCTCKI-BEFAXECRSA-N 2 2 386.515 3.992 20 0 GHADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000783977592 931737474 /nfs/dbraw/zinc/73/74/74/931737474.db2.gz VANPTQILEKFLDL-AZUAARDMSA-N 2 2 380.536 3.828 20 0 GHADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000783977592 931737477 /nfs/dbraw/zinc/73/74/77/931737477.db2.gz VANPTQILEKFLDL-AZUAARDMSA-N 2 2 380.536 3.828 20 0 GHADLP CCc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2cccnc2)cc1 ZINC000925560109 931823354 /nfs/dbraw/zinc/82/33/54/931823354.db2.gz YMZJWRPNXGUQGH-HJOGWXRNSA-N 2 2 379.548 3.701 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N[C@H](C)c3ccccc3)C2)s1 ZINC000558397910 931978306 /nfs/dbraw/zinc/97/83/06/931978306.db2.gz UITSLQMGTVMUKF-RTBURBONSA-N 2 2 385.577 3.688 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N[C@H](C)c3ccccc3)C2)s1 ZINC000558397910 931978310 /nfs/dbraw/zinc/97/83/10/931978310.db2.gz UITSLQMGTVMUKF-RTBURBONSA-N 2 2 385.577 3.688 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@H](C)c3ccccc3)C2)s1 ZINC000558397910 931978317 /nfs/dbraw/zinc/97/83/17/931978317.db2.gz UITSLQMGTVMUKF-RTBURBONSA-N 2 2 385.577 3.688 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@H](C)c3ccccc3)C2)s1 ZINC000558397910 931978333 /nfs/dbraw/zinc/97/83/33/931978333.db2.gz UITSLQMGTVMUKF-RTBURBONSA-N 2 2 385.577 3.688 20 0 GHADLP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1COCc2cccc(Cl)c21 ZINC000926124102 932056708 /nfs/dbraw/zinc/05/67/08/932056708.db2.gz GCYWGYKJHJUHFQ-TZIWHRDSSA-N 2 2 386.923 3.658 20 0 GHADLP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1COCc2cccc(Cl)c21 ZINC000926124102 932056716 /nfs/dbraw/zinc/05/67/16/932056716.db2.gz GCYWGYKJHJUHFQ-TZIWHRDSSA-N 2 2 386.923 3.658 20 0 GHADLP Cc1cccc([C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2ccccn2)c1 ZINC000926126619 932057851 /nfs/dbraw/zinc/05/78/51/932057851.db2.gz RGPASHPVNUSGFZ-UKILVPOCSA-N 2 2 387.527 3.836 20 0 GHADLP Cc1cccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccn2)c1 ZINC000926126619 932057853 /nfs/dbraw/zinc/05/78/53/932057853.db2.gz RGPASHPVNUSGFZ-UKILVPOCSA-N 2 2 387.527 3.836 20 0 GHADLP Cc1cccc([C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)c2ccccn2)c1 ZINC000926436324 932181704 /nfs/dbraw/zinc/18/17/04/932181704.db2.gz VUKSCYCCJFOVEA-DEOSSOPVSA-N 2 2 390.531 3.995 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3ccnn3C3CCC3)CC2)cc1 ZINC000926529755 932218331 /nfs/dbraw/zinc/21/83/31/932218331.db2.gz XTZFSAIWTPZDBG-QGZVFWFLSA-N 2 2 395.551 3.882 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000798271691 932585034 /nfs/dbraw/zinc/58/50/34/932585034.db2.gz GLEPPHGMWYTFGL-HNNXBMFYSA-N 2 2 393.494 3.640 20 0 GHADLP COc1cc(OC)c(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000798498256 932672623 /nfs/dbraw/zinc/67/26/23/932672623.db2.gz OUKDAIOWJQEKSE-QHCPKHFHSA-N 2 2 384.520 3.714 20 0 GHADLP COc1cc(OC)c(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000798498256 932672628 /nfs/dbraw/zinc/67/26/28/932672628.db2.gz OUKDAIOWJQEKSE-QHCPKHFHSA-N 2 2 384.520 3.714 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000798949088 932833295 /nfs/dbraw/zinc/83/32/95/932833295.db2.gz JDEAIJBNNUUFFH-XXBNENTESA-N 2 2 398.551 3.941 20 0 GHADLP CC(C)c1ccc(C2(C(=O)N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CCC2)cc1 ZINC001116046973 933303973 /nfs/dbraw/zinc/30/39/73/933303973.db2.gz RPURFHOPHIHSRJ-QHCPKHFHSA-N 2 2 397.607 3.859 20 0 GHADLP CC(C)c1ccc(C2(C(=O)N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CCC2)cc1 ZINC001116046973 933303985 /nfs/dbraw/zinc/30/39/85/933303985.db2.gz RPURFHOPHIHSRJ-QHCPKHFHSA-N 2 2 397.607 3.859 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC001116067415 933315941 /nfs/dbraw/zinc/31/59/41/933315941.db2.gz WIAJBZOFPKBONK-UHFFFAOYSA-N 2 2 378.823 3.667 20 0 GHADLP CCOc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1OC(=O)CC ZINC001117948058 934065941 /nfs/dbraw/zinc/06/59/41/934065941.db2.gz KSGSSURPOMNTFD-KRWDZBQOSA-N 2 2 385.508 3.589 20 0 GHADLP CCOc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1OC(=O)CC ZINC001117948058 934065952 /nfs/dbraw/zinc/06/59/52/934065952.db2.gz KSGSSURPOMNTFD-KRWDZBQOSA-N 2 2 385.508 3.589 20 0 GHADLP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118490633 934180224 /nfs/dbraw/zinc/18/02/24/934180224.db2.gz FFVKCCQHZYBOPC-RDTXWAMCSA-N 2 2 399.760 3.933 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cnc(-c4ccncc4)s3)[nH+]c2)CC1 ZINC000561542009 934256574 /nfs/dbraw/zinc/25/65/74/934256574.db2.gz BNGWKBFBFSHGJS-UHFFFAOYSA-N 2 2 394.548 3.743 20 0 GHADLP C[C@H](C(=O)N1C[C@@H](C)[NH+](Cc2ccccc2)C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC001137552983 935581621 /nfs/dbraw/zinc/58/16/21/935581621.db2.gz JBJAOHHLQSUESD-QHAWAJNXSA-N 2 2 391.559 3.555 20 0 GHADLP C[C@H](C(=O)N1C[C@@H](C)[NH+](Cc2ccccc2)C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC001137552983 935581624 /nfs/dbraw/zinc/58/16/24/935581624.db2.gz JBJAOHHLQSUESD-QHAWAJNXSA-N 2 2 391.559 3.555 20 0 GHADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC001137552983 935581626 /nfs/dbraw/zinc/58/16/26/935581626.db2.gz JBJAOHHLQSUESD-QHAWAJNXSA-N 2 2 391.559 3.555 20 0 GHADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC001137552983 935581629 /nfs/dbraw/zinc/58/16/29/935581629.db2.gz JBJAOHHLQSUESD-QHAWAJNXSA-N 2 2 391.559 3.555 20 0 GHADLP CN(C)C(=O)C1CC[NH+](C2CC[NH+](Cc3cc4ccccc4s3)CC2)CC1 ZINC001137683684 935710704 /nfs/dbraw/zinc/71/07/04/935710704.db2.gz BDRRIRBTZUQFEK-UHFFFAOYSA-N 2 2 385.577 3.666 20 0 GHADLP COc1ccc(Br)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001137912226 935865869 /nfs/dbraw/zinc/86/58/69/935865869.db2.gz OTVCRWYGFFOKCY-MRXNPFEDSA-N 2 2 377.282 3.814 20 0 GHADLP COc1ccc(Br)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001137912226 935865873 /nfs/dbraw/zinc/86/58/73/935865873.db2.gz OTVCRWYGFFOKCY-MRXNPFEDSA-N 2 2 377.282 3.814 20 0 GHADLP Fc1c(Cl)cccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001137959010 935892233 /nfs/dbraw/zinc/89/22/33/935892233.db2.gz PNJFFHDSKJXCAW-UHFFFAOYSA-N 2 2 378.875 3.939 20 0 GHADLP Fc1c(Cl)cccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001137959010 935892236 /nfs/dbraw/zinc/89/22/36/935892236.db2.gz PNJFFHDSKJXCAW-UHFFFAOYSA-N 2 2 378.875 3.939 20 0 GHADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000367841386 1015048946 /nfs/dbraw/zinc/04/89/46/1015048946.db2.gz JXVYTKPPZYRWER-XMMPIXPASA-N 2 2 386.499 3.611 20 0 GHADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000367841386 1015048958 /nfs/dbraw/zinc/04/89/58/1015048958.db2.gz JXVYTKPPZYRWER-XMMPIXPASA-N 2 2 386.499 3.611 20 0 GHADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](CCSc2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000545866956 1016547727 /nfs/dbraw/zinc/54/77/27/1016547727.db2.gz HQECYFHGPHDYEJ-RTWAWAEBSA-N 2 2 392.515 3.845 20 0 GHADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H](CCSc2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000545866956 1016547735 /nfs/dbraw/zinc/54/77/35/1016547735.db2.gz HQECYFHGPHDYEJ-RTWAWAEBSA-N 2 2 392.515 3.845 20 0 GHADLP Cc1cc(C)cc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2cccnc2)c1 ZINC000925092371 1017037065 /nfs/dbraw/zinc/03/70/65/1017037065.db2.gz AUGNIQKCRPCURH-GBXCKJPGSA-N 2 2 379.548 3.878 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC001221196046 1032325803 /nfs/dbraw/zinc/32/58/03/1032325803.db2.gz LOXAOKIKAJYDQZ-LEWJYISDSA-N 2 2 379.891 3.818 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H](C[NH3+])c1cccc(OC)c1)c1ccccc1Cl ZINC001221403288 1032399777 /nfs/dbraw/zinc/39/97/77/1032399777.db2.gz AZTGEBAVWAWXJG-VQTJNVASSA-N 2 2 389.927 3.548 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c(F)cccc1F)CC2 ZINC001204199999 1032652446 /nfs/dbraw/zinc/65/24/46/1032652446.db2.gz GFWYKAQQXAAVFN-INIZCTEOSA-N 2 2 376.447 3.813 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c(F)cccc1F)CC2 ZINC001204199999 1032652450 /nfs/dbraw/zinc/65/24/50/1032652450.db2.gz GFWYKAQQXAAVFN-INIZCTEOSA-N 2 2 376.447 3.813 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(F)c1)CC2 ZINC001204229157 1032674378 /nfs/dbraw/zinc/67/43/78/1032674378.db2.gz AAZNBLIVOCCIOW-OAQYLSRUSA-N 2 2 387.474 3.615 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(F)c1)CC2 ZINC001204229157 1032674380 /nfs/dbraw/zinc/67/43/80/1032674380.db2.gz AAZNBLIVOCCIOW-OAQYLSRUSA-N 2 2 387.474 3.615 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001204266189 1032710170 /nfs/dbraw/zinc/71/01/70/1032710170.db2.gz UJQXGSDRWQOLPE-OYRHEFFESA-N 3 2 399.604 3.642 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001204266189 1032710182 /nfs/dbraw/zinc/71/01/82/1032710182.db2.gz UJQXGSDRWQOLPE-OYRHEFFESA-N 3 2 399.604 3.642 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001204266189 1032710196 /nfs/dbraw/zinc/71/01/96/1032710196.db2.gz UJQXGSDRWQOLPE-OYRHEFFESA-N 3 2 399.604 3.642 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001204266189 1032710210 /nfs/dbraw/zinc/71/02/10/1032710210.db2.gz UJQXGSDRWQOLPE-OYRHEFFESA-N 3 2 399.604 3.642 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cn(C)c4ccccc24)CC3)cn1 ZINC001204316101 1032760030 /nfs/dbraw/zinc/76/00/30/1032760030.db2.gz YKSZFQNFOBMBBX-UHFFFAOYSA-N 2 2 377.536 3.542 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cn(C)c4ccccc24)CC3)cn1 ZINC001204316101 1032760044 /nfs/dbraw/zinc/76/00/44/1032760044.db2.gz YKSZFQNFOBMBBX-UHFFFAOYSA-N 2 2 377.536 3.542 20 0 GHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(C)(C)[C@H]([NH3+])c3ccccc3)CC2)c1 ZINC000564922499 1019130637 /nfs/dbraw/zinc/13/06/37/1019130637.db2.gz RMTZKZMGSIFNNC-XMSQKQJNSA-N 2 2 395.547 3.627 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC001204415981 1032845391 /nfs/dbraw/zinc/84/53/91/1032845391.db2.gz PVYMCAPRKZLTSM-LJQANCHMSA-N 2 2 386.458 3.908 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC001204415981 1032845406 /nfs/dbraw/zinc/84/54/06/1032845406.db2.gz PVYMCAPRKZLTSM-LJQANCHMSA-N 2 2 386.458 3.908 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC001204415981 1032845422 /nfs/dbraw/zinc/84/54/22/1032845422.db2.gz PVYMCAPRKZLTSM-LJQANCHMSA-N 2 2 386.458 3.908 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC001204415981 1032845433 /nfs/dbraw/zinc/84/54/33/1032845433.db2.gz PVYMCAPRKZLTSM-LJQANCHMSA-N 2 2 386.458 3.908 20 0 GHADLP CC[C@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000571695982 1019701729 /nfs/dbraw/zinc/70/17/29/1019701729.db2.gz VJGRTZWPNYJZPC-JOCHJYFZSA-N 2 2 382.552 3.813 20 0 GHADLP CC[C@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000571695982 1019701741 /nfs/dbraw/zinc/70/17/41/1019701741.db2.gz VJGRTZWPNYJZPC-JOCHJYFZSA-N 2 2 382.552 3.813 20 0 GHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)CCC3)cc1 ZINC000576934806 1020090741 /nfs/dbraw/zinc/09/07/41/1020090741.db2.gz HFMJSHVQLZTSJI-QGPMSJSTSA-N 2 2 387.549 3.553 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2=O)cc1 ZINC000779438011 1020788105 /nfs/dbraw/zinc/78/81/05/1020788105.db2.gz JBGFQQCWKRBFTL-IGABQKFOSA-N 2 2 389.543 3.886 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2=O)cc1 ZINC000779438011 1020788117 /nfs/dbraw/zinc/78/81/17/1020788117.db2.gz JBGFQQCWKRBFTL-IGABQKFOSA-N 2 2 389.543 3.886 20 0 GHADLP Fc1ccccc1-c1ncc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cn1 ZINC001140398523 1021561269 /nfs/dbraw/zinc/56/12/69/1021561269.db2.gz DWSDJAGPAUYPHR-HDICACEKSA-N 2 2 392.478 3.830 20 0 GHADLP Fc1ccccc1-c1ncc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cn1 ZINC001140398523 1021561287 /nfs/dbraw/zinc/56/12/87/1021561287.db2.gz DWSDJAGPAUYPHR-HDICACEKSA-N 2 2 392.478 3.830 20 0 GHADLP Fc1ccccc1-c1ncc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cn1 ZINC001140398523 1021561295 /nfs/dbraw/zinc/56/12/95/1021561295.db2.gz DWSDJAGPAUYPHR-HDICACEKSA-N 2 2 392.478 3.830 20 0 GHADLP Fc1ccccc1-c1ncc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cn1 ZINC001140398523 1021561304 /nfs/dbraw/zinc/56/13/04/1021561304.db2.gz DWSDJAGPAUYPHR-HDICACEKSA-N 2 2 392.478 3.830 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(OC(F)F)c(O)c4)C[C@H]3C2)cc1 ZINC001140626159 1022104892 /nfs/dbraw/zinc/10/48/92/1022104892.db2.gz QZCDFQFXGCMYNI-RTBURBONSA-N 2 2 388.458 3.866 20 0 GHADLP COc1cccc(Cl)c1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001140728487 1022372307 /nfs/dbraw/zinc/37/23/07/1022372307.db2.gz ZYSIZOTYRTXAJC-UHFFFAOYSA-N 2 2 390.911 3.809 20 0 GHADLP COc1cccc(Cl)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001140728487 1022372318 /nfs/dbraw/zinc/37/23/18/1022372318.db2.gz ZYSIZOTYRTXAJC-UHFFFAOYSA-N 2 2 390.911 3.809 20 0 GHADLP Brc1ccnc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c1 ZINC001140766695 1022472962 /nfs/dbraw/zinc/47/29/62/1022472962.db2.gz ORPDHUFQIBCEOI-UHFFFAOYSA-N 2 2 386.337 3.942 20 0 GHADLP CC(C)[NH+]1CCC(CNc2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC001156495730 1033065401 /nfs/dbraw/zinc/06/54/01/1033065401.db2.gz KPFRAVFRPAFDPB-UHFFFAOYSA-N 2 2 379.552 3.567 20 0 GHADLP CC(C)[NH+]1CCC(CNc2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC001156495730 1033065416 /nfs/dbraw/zinc/06/54/16/1033065416.db2.gz KPFRAVFRPAFDPB-UHFFFAOYSA-N 2 2 379.552 3.567 20 0 GHADLP O=C(OCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000754496022 1022740351 /nfs/dbraw/zinc/74/03/51/1022740351.db2.gz ADVAMXBPNMCHNP-NRFANRHFSA-N 2 2 375.472 3.828 20 0 GHADLP O=C(OCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000754496022 1022740367 /nfs/dbraw/zinc/74/03/67/1022740367.db2.gz ADVAMXBPNMCHNP-NRFANRHFSA-N 2 2 375.472 3.828 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000754593853 1022786353 /nfs/dbraw/zinc/78/63/53/1022786353.db2.gz FKUGCIIFNIQNKS-UHFFFAOYSA-N 2 2 391.519 3.582 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000754593853 1022786368 /nfs/dbraw/zinc/78/63/68/1022786368.db2.gz FKUGCIIFNIQNKS-UHFFFAOYSA-N 2 2 391.519 3.582 20 0 GHADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(OC(F)F)c(OCC4CC4)c3)C[C@@H]2C1 ZINC001140908717 1022848486 /nfs/dbraw/zinc/84/84/86/1022848486.db2.gz MEUVALQQWPOIMG-ROUUACIJSA-N 2 2 380.479 3.850 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@H+](Cn3[nH]c(-c4ccc5c(c4)CCC5)nc3=S)C2)CC1 ZINC000755779629 1023375538 /nfs/dbraw/zinc/37/55/38/1023375538.db2.gz SQCBSDATMHGEDX-FQEVSTJZSA-N 2 2 397.592 3.718 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3[nH]c(-c4ccc5c(c4)CCC5)nc3=S)C2)CC1 ZINC000755779629 1023375555 /nfs/dbraw/zinc/37/55/55/1023375555.db2.gz SQCBSDATMHGEDX-FQEVSTJZSA-N 2 2 397.592 3.718 20 0 GHADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831522174 1024616512 /nfs/dbraw/zinc/61/65/12/1024616512.db2.gz CKMKEMAVTJCBBL-AQNXPRMDSA-N 2 2 389.902 3.819 20 0 GHADLP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831522174 1024616513 /nfs/dbraw/zinc/61/65/13/1024616513.db2.gz CKMKEMAVTJCBBL-AQNXPRMDSA-N 2 2 389.902 3.819 20 0 GHADLP COc1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)ccc1OC(F)F ZINC001138554098 1025011338 /nfs/dbraw/zinc/01/13/38/1025011338.db2.gz YXGWWWPSQDOVTL-IYBDPMFKSA-N 2 2 394.487 3.922 20 0 GHADLP COc1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)ccc1OC(F)F ZINC001138554098 1025011355 /nfs/dbraw/zinc/01/13/55/1025011355.db2.gz YXGWWWPSQDOVTL-IYBDPMFKSA-N 2 2 394.487 3.922 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)ccc1OC(F)F ZINC001138554098 1025011368 /nfs/dbraw/zinc/01/13/68/1025011368.db2.gz YXGWWWPSQDOVTL-IYBDPMFKSA-N 2 2 394.487 3.922 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)ccc1OC(F)F ZINC001138554098 1025011379 /nfs/dbraw/zinc/01/13/79/1025011379.db2.gz YXGWWWPSQDOVTL-IYBDPMFKSA-N 2 2 394.487 3.922 20 0 GHADLP CCCCc1ccc(C[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)s1 ZINC001138757396 1025313985 /nfs/dbraw/zinc/31/39/85/1025313985.db2.gz VPHVDQIIHRKNRS-UHFFFAOYSA-N 2 2 387.597 3.726 20 0 GHADLP CCCCc1ccc(C[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)s1 ZINC001138757396 1025313993 /nfs/dbraw/zinc/31/39/93/1025313993.db2.gz VPHVDQIIHRKNRS-UHFFFAOYSA-N 2 2 387.597 3.726 20 0 GHADLP Fc1ccc(C2OCCO2)c(Cl)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000838791788 1025371201 /nfs/dbraw/zinc/37/12/01/1025371201.db2.gz WVZRPZQBLYDYHO-UHFFFAOYSA-N 2 2 382.907 3.832 20 0 GHADLP COc1cccc(C2(Nc3ccc4cc(OC)c(OC)cc4[nH+]3)CC[NH2+]CC2)c1 ZINC001161996439 1025529107 /nfs/dbraw/zinc/52/91/07/1025529107.db2.gz KPHPQPFROOKVID-UHFFFAOYSA-N 2 2 393.487 3.951 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2cnc4[nH]ccc4c2Cl)CC3)n1 ZINC001138932098 1025603763 /nfs/dbraw/zinc/60/37/63/1025603763.db2.gz PIZVXJKOUAQHNX-UHFFFAOYSA-N 2 2 398.942 3.532 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2cnc4[nH]ccc4c2Cl)CC3)n1 ZINC001138932098 1025603770 /nfs/dbraw/zinc/60/37/70/1025603770.db2.gz PIZVXJKOUAQHNX-UHFFFAOYSA-N 2 2 398.942 3.532 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c4cc(Cl)ccc34)CC2)C1 ZINC001141591141 1025759428 /nfs/dbraw/zinc/75/94/28/1025759428.db2.gz QXWPXFGORZWCBT-HNNXBMFYSA-N 2 2 389.927 3.671 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c4cc(Cl)ccc34)CC2)C1 ZINC001141591141 1025759444 /nfs/dbraw/zinc/75/94/44/1025759444.db2.gz QXWPXFGORZWCBT-HNNXBMFYSA-N 2 2 389.927 3.671 20 0 GHADLP CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001139052688 1025842285 /nfs/dbraw/zinc/84/22/85/1025842285.db2.gz KTHXEGLQMPDBTH-FQEVSTJZSA-N 2 2 382.548 3.981 20 0 GHADLP CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001139052688 1025842304 /nfs/dbraw/zinc/84/23/04/1025842304.db2.gz KTHXEGLQMPDBTH-FQEVSTJZSA-N 2 2 382.548 3.981 20 0 GHADLP COc1ccccc1OC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001139059306 1025848572 /nfs/dbraw/zinc/84/85/72/1025848572.db2.gz VERWDSPUDYPDHS-UHFFFAOYSA-N 2 2 396.531 3.571 20 0 GHADLP c1cn(-c2csc(C[NH2+]CCCC[NH+]3CCN(c4ccccc4)CC3)c2)c[nH+]1 ZINC001461062941 1069370599 /nfs/dbraw/zinc/37/05/99/1069370599.db2.gz BNLUDUMCCLKYAD-UHFFFAOYSA-N 3 2 395.576 3.626 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2C1 ZINC001139361952 1026237292 /nfs/dbraw/zinc/23/72/92/1026237292.db2.gz FHEQEXWLVBNZPX-OALUTQOASA-N 2 2 382.508 3.561 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2C1 ZINC001139361952 1026237301 /nfs/dbraw/zinc/23/73/01/1026237301.db2.gz FHEQEXWLVBNZPX-OALUTQOASA-N 2 2 382.508 3.561 20 0 GHADLP CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)Cn1ccc(-c2ccc(F)cn2)n1 ZINC000840013257 1026406699 /nfs/dbraw/zinc/40/66/99/1026406699.db2.gz FBFNONWCYXFFAZ-FQEVSTJZSA-N 2 2 393.510 3.886 20 0 GHADLP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)Cn1ccc(-c2ccc(F)cn2)n1 ZINC000840013257 1026406705 /nfs/dbraw/zinc/40/67/05/1026406705.db2.gz FBFNONWCYXFFAZ-FQEVSTJZSA-N 2 2 393.510 3.886 20 0 GHADLP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cn1ccc(-c2ccc(F)cn2)n1 ZINC000840013257 1026406714 /nfs/dbraw/zinc/40/67/14/1026406714.db2.gz FBFNONWCYXFFAZ-FQEVSTJZSA-N 2 2 393.510 3.886 20 0 GHADLP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1ccc(-c2ccc(F)cn2)n1 ZINC000840013257 1026406719 /nfs/dbraw/zinc/40/67/19/1026406719.db2.gz FBFNONWCYXFFAZ-FQEVSTJZSA-N 2 2 393.510 3.886 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4c[nH]c(-c5ccccc5)n4)CC3)C2)co1 ZINC001139554209 1026423878 /nfs/dbraw/zinc/42/38/78/1026423878.db2.gz CIAOJTITLAOFCH-UHFFFAOYSA-N 2 2 392.503 3.537 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4c[nH]c(-c5ccccc5)n4)CC3)C2)co1 ZINC001139554209 1026423881 /nfs/dbraw/zinc/42/38/81/1026423881.db2.gz CIAOJTITLAOFCH-UHFFFAOYSA-N 2 2 392.503 3.537 20 0 GHADLP C[NH+](C)C1(CNc2nc(C3CC3)nc3sc4c(c32)CCCC4)CC[NH+](C)CC1 ZINC001164210692 1026453366 /nfs/dbraw/zinc/45/33/66/1026453366.db2.gz HAEDNEHLRWGKCC-UHFFFAOYSA-N 2 2 399.608 3.885 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(Cl)c(OC)c1)C2 ZINC001139613516 1026475775 /nfs/dbraw/zinc/47/57/75/1026475775.db2.gz WMENLRCESSICCX-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(Cl)c(OC)c1)C2 ZINC001139613516 1026475782 /nfs/dbraw/zinc/47/57/82/1026475782.db2.gz WMENLRCESSICCX-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(Cl)c(OC)c1)C2 ZINC001139613516 1026475787 /nfs/dbraw/zinc/47/57/87/1026475787.db2.gz WMENLRCESSICCX-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(Cl)c(OC)c1)C2 ZINC001139613516 1026475793 /nfs/dbraw/zinc/47/57/93/1026475793.db2.gz WMENLRCESSICCX-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnc4c(c3)OCCO4)C[C@H]21 ZINC001139735317 1026576526 /nfs/dbraw/zinc/57/65/26/1026576526.db2.gz XEWQQSSBNDYNMN-DFQSSKMNSA-N 2 2 399.560 3.647 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnc4c(c3)OCCO4)C[C@H]21 ZINC001139735317 1026576535 /nfs/dbraw/zinc/57/65/35/1026576535.db2.gz XEWQQSSBNDYNMN-DFQSSKMNSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cnc4c(c3)OCCO4)C[C@H]21 ZINC001139735317 1026576542 /nfs/dbraw/zinc/57/65/42/1026576542.db2.gz XEWQQSSBNDYNMN-DFQSSKMNSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc4c(c3)OCCO4)C[C@H]21 ZINC001139735317 1026576552 /nfs/dbraw/zinc/57/65/52/1026576552.db2.gz XEWQQSSBNDYNMN-DFQSSKMNSA-N 2 2 399.560 3.647 20 0 GHADLP c1cn(-c2ccc(-c3ccc(NCC4C[NH+](Cc5ccccc5)C4)nn3)cc2)c[nH+]1 ZINC001165442471 1026727943 /nfs/dbraw/zinc/72/79/43/1026727943.db2.gz MXJYLICQZLSKGY-UHFFFAOYSA-N 2 2 396.498 3.873 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4cc5ccccc5cn4)CC3)C2)co1 ZINC001139997120 1026784576 /nfs/dbraw/zinc/78/45/76/1026784576.db2.gz YYJXEGRSZCAJSP-UHFFFAOYSA-N 2 2 377.488 3.695 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4cc5ccccc5cn4)CC3)C2)co1 ZINC001139997120 1026784594 /nfs/dbraw/zinc/78/45/94/1026784594.db2.gz YYJXEGRSZCAJSP-UHFFFAOYSA-N 2 2 377.488 3.695 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001140025504 1026812902 /nfs/dbraw/zinc/81/29/02/1026812902.db2.gz BZOSUIBBGMDGEH-LPHOPBHVSA-N 2 2 384.524 3.916 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001140027696 1026816716 /nfs/dbraw/zinc/81/67/16/1026816716.db2.gz VTJQIGFPOSYXIC-GOSISDBHSA-N 2 2 390.462 3.550 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001140027696 1026816727 /nfs/dbraw/zinc/81/67/27/1026816727.db2.gz VTJQIGFPOSYXIC-GOSISDBHSA-N 2 2 390.462 3.550 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001140027532 1026817330 /nfs/dbraw/zinc/81/73/30/1026817330.db2.gz OQGSHDAOFZMPFD-UHFFFAOYSA-N 2 2 389.503 3.967 20 0 GHADLP COc1ccc2n[nH]c(C[NH+]3CCN(c4cc(C)[nH+]c5ccccc54)CC3)c2c1 ZINC001140065326 1026845922 /nfs/dbraw/zinc/84/59/22/1026845922.db2.gz DTLHWOYOWJQDMY-UHFFFAOYSA-N 2 2 387.487 3.750 20 0 GHADLP COc1nsc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1Cl ZINC001461172986 1069425629 /nfs/dbraw/zinc/42/56/29/1069425629.db2.gz UYKHXNQDLFAENE-LBPRGKRZSA-N 2 2 398.935 3.547 20 0 GHADLP COC(=O)Cc1c[nH]c2[nH+]ccc(NC[C@@H](c3ccccc3)[NH+]3CCCC3)c12 ZINC001166910210 1027148550 /nfs/dbraw/zinc/14/85/50/1027148550.db2.gz MQFBOKILJVYIER-IBGZPJMESA-N 2 2 378.476 3.527 20 0 GHADLP CCc1[nH]c(C[NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)c(C)[nH+]1 ZINC001203238577 1027241180 /nfs/dbraw/zinc/24/11/80/1027241180.db2.gz OGBBXKYXWDFJAI-UHFFFAOYSA-N 2 2 386.565 3.860 20 0 GHADLP COc1ccc(OC)c(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)c1 ZINC001203524018 1027404915 /nfs/dbraw/zinc/40/49/15/1027404915.db2.gz WHJKYWOCZYRJLT-UHFFFAOYSA-N 2 2 399.535 3.939 20 0 GHADLP COc1ccc(OC)c(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)c1 ZINC001203524018 1027404920 /nfs/dbraw/zinc/40/49/20/1027404920.db2.gz WHJKYWOCZYRJLT-UHFFFAOYSA-N 2 2 399.535 3.939 20 0 GHADLP O=c1[nH]c2cc(C[NH2+]Cc3ccc(OCCn4cc[nH+]c4)c(Cl)c3)ccc2o1 ZINC001203582253 1027450934 /nfs/dbraw/zinc/45/09/34/1027450934.db2.gz AELNABISIASNRG-UHFFFAOYSA-N 2 2 398.850 3.752 20 0 GHADLP Cc1ccc(C)c(C[NH+]2CCC([N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC001203751742 1027572731 /nfs/dbraw/zinc/57/27/31/1027572731.db2.gz FSTREYVKKNNAKJ-HXUWFJFHSA-N 2 2 387.568 3.867 20 0 GHADLP Cc1ccc(C)c(C[NH+]2CCC([N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC001203751742 1027572741 /nfs/dbraw/zinc/57/27/41/1027572741.db2.gz FSTREYVKKNNAKJ-HXUWFJFHSA-N 2 2 387.568 3.867 20 0 GHADLP Cc1ccc(C)c(C[NH+]2CCC([N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC001203751741 1027572946 /nfs/dbraw/zinc/57/29/46/1027572946.db2.gz FSTREYVKKNNAKJ-FQEVSTJZSA-N 2 2 387.568 3.867 20 0 GHADLP Cc1ccc(C)c(C[NH+]2CCC([N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC001203751741 1027572954 /nfs/dbraw/zinc/57/29/54/1027572954.db2.gz FSTREYVKKNNAKJ-FQEVSTJZSA-N 2 2 387.568 3.867 20 0 GHADLP C[NH+](C)CCOc1ccc(NC(=O)c2c[nH+]ccc2Nc2ccccc2)cc1F ZINC001142010477 1027877857 /nfs/dbraw/zinc/87/78/57/1027877857.db2.gz YQHWNOQGLLLVSA-UHFFFAOYSA-N 2 2 394.450 3.579 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(F)cc3Br)[nH+]c2)C1 ZINC001461353637 1069514723 /nfs/dbraw/zinc/51/47/23/1069514723.db2.gz FSLOCMRLSSAFDP-INIZCTEOSA-N 2 2 393.304 3.736 20 0 GHADLP CC1(C)CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC(C)(C)[NH2+]1 ZINC001214285571 1028651446 /nfs/dbraw/zinc/65/14/46/1028651446.db2.gz DIPSBVSMBTXVGF-UHFFFAOYSA-N 2 2 379.574 3.513 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]cc2-c2nc(-c3ccc(OC(C)(C)C)cc3)no2)CC1 ZINC001214674227 1028851980 /nfs/dbraw/zinc/85/19/80/1028851980.db2.gz TUVKGTHABSNDMH-UHFFFAOYSA-N 2 2 393.491 3.728 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]cc2-c2nc(-c3ccc4sccc4c3)no2)CC1 ZINC001214674219 1028852694 /nfs/dbraw/zinc/85/26/94/1028852694.db2.gz SQAGOHIXYSAADN-UHFFFAOYSA-N 2 2 377.473 3.765 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc4ccccc4cc3F)CC2)CC1 ZINC001142468605 1028973698 /nfs/dbraw/zinc/97/36/98/1028973698.db2.gz YQXJPWQMBAKTEX-UHFFFAOYSA-N 2 2 383.511 3.611 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc4ccccc4cc3F)CC2)CC1 ZINC001142468605 1028973701 /nfs/dbraw/zinc/97/37/01/1028973701.db2.gz YQXJPWQMBAKTEX-UHFFFAOYSA-N 2 2 383.511 3.611 20 0 GHADLP C[C@@]1(Cc2ccccc2)CC(=O)N(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000842600478 1029406211 /nfs/dbraw/zinc/40/62/11/1029406211.db2.gz KCAOTLYHJJGAIC-XMMPIXPASA-N 2 2 394.563 3.814 20 0 GHADLP FC(F)Oc1ccc(Br)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000842670033 1029474736 /nfs/dbraw/zinc/47/47/36/1029474736.db2.gz QGKWLGPHQYIBFP-NSHDSACASA-N 2 2 375.257 3.624 20 0 GHADLP FC(F)Oc1ccc(Br)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000842670033 1029474744 /nfs/dbraw/zinc/47/47/44/1029474744.db2.gz QGKWLGPHQYIBFP-NSHDSACASA-N 2 2 375.257 3.624 20 0 GHADLP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143020804 1029787920 /nfs/dbraw/zinc/78/79/20/1029787920.db2.gz BVYDNBDPTPBTIF-LJQANCHMSA-N 3 2 396.560 3.651 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143020804 1029787929 /nfs/dbraw/zinc/78/79/29/1029787929.db2.gz BVYDNBDPTPBTIF-LJQANCHMSA-N 3 2 396.560 3.651 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143020803 1029787966 /nfs/dbraw/zinc/78/79/66/1029787966.db2.gz BVYDNBDPTPBTIF-IBGZPJMESA-N 3 2 396.560 3.651 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143020803 1029787969 /nfs/dbraw/zinc/78/79/69/1029787969.db2.gz BVYDNBDPTPBTIF-IBGZPJMESA-N 3 2 396.560 3.651 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(OCc2ccccc2)cc1OC ZINC001222141653 1029976867 /nfs/dbraw/zinc/97/68/67/1029976867.db2.gz POCALVGWSHFLGY-XMMPIXPASA-N 2 2 396.531 3.858 20 0 GHADLP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(OCc2ccccc2)cc1OC ZINC001222141653 1029976870 /nfs/dbraw/zinc/97/68/70/1029976870.db2.gz POCALVGWSHFLGY-XMMPIXPASA-N 2 2 396.531 3.858 20 0 GHADLP Brc1cc(C[NH+]2CCC3(CCC[NH2+]C3)CC2)oc1Br ZINC001222452885 1030139157 /nfs/dbraw/zinc/13/91/57/1030139157.db2.gz MVFZSQMSHOTARY-UHFFFAOYSA-N 2 2 392.135 3.770 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]3[NH2+]CCO[C@H]3C2)cc1 ZINC001222697157 1030280188 /nfs/dbraw/zinc/28/01/88/1030280188.db2.gz WGVJAZGYWKVEJA-PMACEKPBSA-N 2 2 392.421 3.815 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]3[NH2+]CCO[C@H]3C2)cc1 ZINC001222697157 1030280198 /nfs/dbraw/zinc/28/01/98/1030280198.db2.gz WGVJAZGYWKVEJA-PMACEKPBSA-N 2 2 392.421 3.815 20 0 GHADLP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001150139316 1030422171 /nfs/dbraw/zinc/42/21/71/1030422171.db2.gz CVYCBTBAWGKQKU-XXBNENTESA-N 2 2 388.515 3.572 20 0 GHADLP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001150139316 1030422181 /nfs/dbraw/zinc/42/21/81/1030422181.db2.gz CVYCBTBAWGKQKU-XXBNENTESA-N 2 2 388.515 3.572 20 0 GHADLP FC(F)(F)[C@@H]1CC[C@@H](c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)[NH2+]C1 ZINC001217707112 1030618577 /nfs/dbraw/zinc/61/85/77/1030618577.db2.gz ROSKLFKUHNUFEW-XHSDSOJGSA-N 2 2 380.414 3.662 20 0 GHADLP FC(F)(F)[C@@H]1CC[C@@H](c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)[NH2+]C1 ZINC001217707112 1030618585 /nfs/dbraw/zinc/61/85/85/1030618585.db2.gz ROSKLFKUHNUFEW-XHSDSOJGSA-N 2 2 380.414 3.662 20 0 GHADLP C[N@H+](CC(=O)c1cccc(O[C@@H]2CCC[C@]23CC[NH2+]C3)c1)Cc1ccccc1 ZINC001218093684 1030767453 /nfs/dbraw/zinc/76/74/53/1030767453.db2.gz KIIXMSONWVESCE-DNQXCXABSA-N 2 2 378.516 3.912 20 0 GHADLP C[N@@H+](CC(=O)c1cccc(O[C@@H]2CCC[C@]23CC[NH2+]C3)c1)Cc1ccccc1 ZINC001218093684 1030767470 /nfs/dbraw/zinc/76/74/70/1030767470.db2.gz KIIXMSONWVESCE-DNQXCXABSA-N 2 2 378.516 3.912 20 0 GHADLP [NH3+]C1CC[NH+](Cc2ccccc2O[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001218175525 1030807893 /nfs/dbraw/zinc/80/78/93/1030807893.db2.gz ACKCPZYEZWXSBE-QHCPKHFHSA-N 3 2 379.548 3.653 20 0 GHADLP [NH3+]C1CC[NH+](Cc2ccccc2O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001218175525 1030807913 /nfs/dbraw/zinc/80/79/13/1030807913.db2.gz ACKCPZYEZWXSBE-QHCPKHFHSA-N 3 2 379.548 3.653 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC001218558776 1030985470 /nfs/dbraw/zinc/98/54/70/1030985470.db2.gz AWDPZPWUXMLYLI-HNNXBMFYSA-N 2 2 390.365 3.571 20 0 GHADLP [NH3+][C@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)Cc1csc2ccccc12 ZINC001218811786 1031090518 /nfs/dbraw/zinc/09/05/18/1031090518.db2.gz KEHHTNPJDVCRBU-INIZCTEOSA-N 2 2 376.485 3.986 20 0 GHADLP CC(C)(c1ccc(N)cc1)c1ccc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)cc1 ZINC001218911205 1031147661 /nfs/dbraw/zinc/14/76/61/1031147661.db2.gz NEGAJSVVBFLURA-QFIPXVFZSA-N 2 2 388.515 3.806 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)c1ccccc1Cl ZINC001219536844 1031481141 /nfs/dbraw/zinc/48/11/41/1031481141.db2.gz FJSUFEXFNAAULR-VMRPVKRXSA-N 2 2 399.922 3.809 20 0 GHADLP C[C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001220532506 1031979224 /nfs/dbraw/zinc/97/92/24/1031979224.db2.gz HRPARAJOBYTKTE-NPSOMJIGSA-N 2 2 386.367 3.737 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)C1 ZINC001205306126 1033351928 /nfs/dbraw/zinc/35/19/28/1033351928.db2.gz VIPPTHGPSKMXNM-SFHVURJKSA-N 2 2 398.551 3.731 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)C1 ZINC001205306126 1033351945 /nfs/dbraw/zinc/35/19/45/1033351945.db2.gz VIPPTHGPSKMXNM-SFHVURJKSA-N 2 2 398.551 3.731 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)C1 ZINC001205611799 1033492185 /nfs/dbraw/zinc/49/21/85/1033492185.db2.gz AXQGGQKRTRYWSN-IBGZPJMESA-N 2 2 398.551 3.731 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)C1 ZINC001205611799 1033492203 /nfs/dbraw/zinc/49/22/03/1033492203.db2.gz AXQGGQKRTRYWSN-IBGZPJMESA-N 2 2 398.551 3.731 20 0 GHADLP [NH3+]C[C@@H]1C[N@H+](Cc2cnccc2-c2cccc(Br)c2)CCC1(F)F ZINC001205761017 1033562039 /nfs/dbraw/zinc/56/20/39/1033562039.db2.gz FMYAHXSGMLMIDP-OAHLLOKOSA-N 2 2 396.279 3.927 20 0 GHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cnccc2-c2cccc(Br)c2)CCC1(F)F ZINC001205761017 1033562043 /nfs/dbraw/zinc/56/20/43/1033562043.db2.gz FMYAHXSGMLMIDP-OAHLLOKOSA-N 2 2 396.279 3.927 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CC[N@H+](CC)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC001157550452 1033655054 /nfs/dbraw/zinc/65/50/54/1033655054.db2.gz YKYGSVVBGKLSGP-YJBOKZPZSA-N 2 2 385.474 3.641 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CC[N@@H+](CC)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC001157550452 1033655058 /nfs/dbraw/zinc/65/50/58/1033655058.db2.gz YKYGSVVBGKLSGP-YJBOKZPZSA-N 2 2 385.474 3.641 20 0 GHADLP Fc1cccc(C2(c3nc(-c4ccccc4-n4cc[nH+]c4)no3)CC[NH2+]CC2)c1 ZINC001206177608 1033756355 /nfs/dbraw/zinc/75/63/55/1033756355.db2.gz VCNFASHPXUEOQM-UHFFFAOYSA-N 2 2 389.434 3.731 20 0 GHADLP Fc1ccccc1C1(c2nc(-c3ccccc3-n3cc[nH+]c3)no2)CC[NH2+]CC1 ZINC001206183272 1033757328 /nfs/dbraw/zinc/75/73/28/1033757328.db2.gz JQPWWZIRMQPUCS-UHFFFAOYSA-N 2 2 389.434 3.731 20 0 GHADLP COc1cc(N2CCN(c3[nH+]c(N4CCCC4)cc4ccccc43)CC2)cc[nH+]1 ZINC001158099286 1033914804 /nfs/dbraw/zinc/91/48/04/1033914804.db2.gz YAEJJKDQLOMCBT-UHFFFAOYSA-N 2 2 389.503 3.565 20 0 GHADLP COc1ccc(CN(c2cc(N3CCCCC3)[nH+]cn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158158417 1033944006 /nfs/dbraw/zinc/94/40/06/1033944006.db2.gz NQODHSGSEWZNCY-MXVIHJGJSA-N 2 2 395.551 3.752 20 0 GHADLP COc1ccc(CN(c2cc(N3CCCCC3)nc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158158417 1033944009 /nfs/dbraw/zinc/94/40/09/1033944009.db2.gz NQODHSGSEWZNCY-MXVIHJGJSA-N 2 2 395.551 3.752 20 0 GHADLP CCC[C@H]1CN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC001230230073 1033955172 /nfs/dbraw/zinc/95/51/72/1033955172.db2.gz XPVFDOHYFYYYMC-QFIPXVFZSA-N 2 2 380.536 3.895 20 0 GHADLP CCC[C@H]1CN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC[N@H+]1Cc1ccccc1 ZINC001230230073 1033955175 /nfs/dbraw/zinc/95/51/75/1033955175.db2.gz XPVFDOHYFYYYMC-QFIPXVFZSA-N 2 2 380.536 3.895 20 0 GHADLP COc1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc2ccccc21 ZINC001206848214 1034033970 /nfs/dbraw/zinc/03/39/70/1034033970.db2.gz ZOXZJBCUYWNNLU-RUZDIDTESA-N 2 2 390.527 3.917 20 0 GHADLP COc1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc2ccccc21 ZINC001206848214 1034033985 /nfs/dbraw/zinc/03/39/85/1034033985.db2.gz ZOXZJBCUYWNNLU-RUZDIDTESA-N 2 2 390.527 3.917 20 0 GHADLP COc1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc2ccccc21 ZINC001206848214 1034033988 /nfs/dbraw/zinc/03/39/88/1034033988.db2.gz ZOXZJBCUYWNNLU-RUZDIDTESA-N 2 2 390.527 3.917 20 0 GHADLP COc1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc2ccccc21 ZINC001206848214 1034034001 /nfs/dbraw/zinc/03/40/01/1034034001.db2.gz ZOXZJBCUYWNNLU-RUZDIDTESA-N 2 2 390.527 3.917 20 0 GHADLP C[C@@H](CC[NH2+][C@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001207169871 1034140955 /nfs/dbraw/zinc/14/09/55/1034140955.db2.gz XSVQGFYCJVNLMX-BJLQDIEVSA-N 2 2 375.557 3.932 20 0 GHADLP C[C@@H](CC[NH2+][C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001207169871 1034140959 /nfs/dbraw/zinc/14/09/59/1034140959.db2.gz XSVQGFYCJVNLMX-BJLQDIEVSA-N 2 2 375.557 3.932 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4C[C@H]4c4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001207183642 1034152402 /nfs/dbraw/zinc/15/24/02/1034152402.db2.gz OITNNFFUVFUCQP-AQCRLBJHSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4C[C@H]4c4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001207183642 1034152416 /nfs/dbraw/zinc/15/24/16/1034152416.db2.gz OITNNFFUVFUCQP-AQCRLBJHSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H]4C[C@H]4c4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001207183642 1034152429 /nfs/dbraw/zinc/15/24/29/1034152429.db2.gz OITNNFFUVFUCQP-AQCRLBJHSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@@H]4C[C@H]4c4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001207183642 1034152447 /nfs/dbraw/zinc/15/24/47/1034152447.db2.gz OITNNFFUVFUCQP-AQCRLBJHSA-N 2 2 384.955 3.631 20 0 GHADLP COC(=O)c1cccc([C@@H]2C[NH2+]CCN2c2cc(C3CCCCC3)[nH+]c(C)n2)c1 ZINC001159057396 1034404592 /nfs/dbraw/zinc/40/45/92/1034404592.db2.gz DRTDRHYTLBBXHQ-NRFANRHFSA-N 2 2 394.519 3.770 20 0 GHADLP COC(=O)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001207738913 1034549917 /nfs/dbraw/zinc/54/99/17/1034549917.db2.gz PUZYAENPLJTSJJ-WWPVKYPJSA-N 2 2 380.532 3.661 20 0 GHADLP COC(=O)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001207738913 1034549922 /nfs/dbraw/zinc/54/99/22/1034549922.db2.gz PUZYAENPLJTSJJ-WWPVKYPJSA-N 2 2 380.532 3.661 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1ccc(-c3cccs3)cc1)CC2 ZINC001231429719 1034578015 /nfs/dbraw/zinc/57/80/15/1034578015.db2.gz WNYNHUJMTPBTJQ-UHFFFAOYSA-N 2 2 383.561 3.592 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1ccc(-c3cccs3)cc1)CC2 ZINC001231429719 1034578023 /nfs/dbraw/zinc/57/80/23/1034578023.db2.gz WNYNHUJMTPBTJQ-UHFFFAOYSA-N 2 2 383.561 3.592 20 0 GHADLP c1cc(Nc2ccc(C3CC[NH2+]CC3)cc2)cc(OCC[NH+]2CCOCC2)c1 ZINC001159516268 1034633485 /nfs/dbraw/zinc/63/34/85/1034633485.db2.gz PSQRHICQWRMZOD-UHFFFAOYSA-N 2 2 381.520 3.608 20 0 GHADLP COCC[N@H+](Cc1ccc(Cl)c(Br)c1)C1CC[NH+](C)CC1 ZINC001231568291 1034717439 /nfs/dbraw/zinc/71/74/39/1034717439.db2.gz JKZGCYJQNCLQPU-UHFFFAOYSA-N 2 2 375.738 3.645 20 0 GHADLP COCC[N@@H+](Cc1ccc(Cl)c(Br)c1)C1CC[NH+](C)CC1 ZINC001231568291 1034717450 /nfs/dbraw/zinc/71/74/50/1034717450.db2.gz JKZGCYJQNCLQPU-UHFFFAOYSA-N 2 2 375.738 3.645 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1Nc1cccc(C2CC[NH2+]CC2)c1 ZINC001159764868 1034736493 /nfs/dbraw/zinc/73/64/93/1034736493.db2.gz QSQWZOHUGRPSGR-UHFFFAOYSA-N 2 2 381.520 3.738 20 0 GHADLP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001208208594 1034800300 /nfs/dbraw/zinc/80/03/00/1034800300.db2.gz ZDNZDUHIEGNLOX-NNWRFLSQSA-N 2 2 390.616 3.795 20 0 GHADLP COC(C)(C)CCC[C@H](C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001208208594 1034800312 /nfs/dbraw/zinc/80/03/12/1034800312.db2.gz ZDNZDUHIEGNLOX-NNWRFLSQSA-N 2 2 390.616 3.795 20 0 GHADLP COC(C)(C)CCC[C@H](C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001208208594 1034800321 /nfs/dbraw/zinc/80/03/21/1034800321.db2.gz ZDNZDUHIEGNLOX-NNWRFLSQSA-N 2 2 390.616 3.795 20 0 GHADLP COC(C)(C)CCC[C@H](C)CC[NH+]1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001208208594 1034800336 /nfs/dbraw/zinc/80/03/36/1034800336.db2.gz ZDNZDUHIEGNLOX-NNWRFLSQSA-N 2 2 390.616 3.795 20 0 GHADLP Fc1cc(OCC[NH+]2CCOCC2)ccc1Nc1ccccc1C1=CC[NH2+]CC1 ZINC001160023968 1034833913 /nfs/dbraw/zinc/83/39/13/1034833913.db2.gz ZFPNXQPIWUZFTP-UHFFFAOYSA-N 2 2 397.494 3.657 20 0 GHADLP c1cc2n(c1)CC[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)[C@@H]2c1ccccc1 ZINC001206673685 1034857458 /nfs/dbraw/zinc/85/74/58/1034857458.db2.gz LCAPOWDTDFWKGX-RUZDIDTESA-N 2 2 387.527 3.926 20 0 GHADLP c1cc2n(c1)CC[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)[C@@H]2c1ccccc1 ZINC001206673685 1034857460 /nfs/dbraw/zinc/85/74/60/1034857460.db2.gz LCAPOWDTDFWKGX-RUZDIDTESA-N 2 2 387.527 3.926 20 0 GHADLP COc1cccc2[nH]cc(C[NH+]3CCC4(CCC[N@@H+]4Cc4cnn(C)c4)CC3)c21 ZINC001232038038 1035056447 /nfs/dbraw/zinc/05/64/47/1035056447.db2.gz QWKZJIJJZFFGTA-UHFFFAOYSA-N 2 2 393.535 3.541 20 0 GHADLP COc1cccc2[nH]cc(C[NH+]3CCC4(CCC[N@H+]4Cc4cnn(C)c4)CC3)c21 ZINC001232038038 1035056455 /nfs/dbraw/zinc/05/64/55/1035056455.db2.gz QWKZJIJJZFFGTA-UHFFFAOYSA-N 2 2 393.535 3.541 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCN(c4nsc5ccccc54)CC3)C2)cc1 ZINC001208942194 1035111080 /nfs/dbraw/zinc/11/10/80/1035111080.db2.gz OTBUGQOPUSYQBR-HXUWFJFHSA-N 2 2 392.572 3.940 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCN(c4nsc5ccccc54)CC3)C2)cc1 ZINC001208942194 1035111083 /nfs/dbraw/zinc/11/10/83/1035111083.db2.gz OTBUGQOPUSYQBR-HXUWFJFHSA-N 2 2 392.572 3.940 20 0 GHADLP O=c1[nH]c2ccccc2n1C1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208945140 1035115084 /nfs/dbraw/zinc/11/50/84/1035115084.db2.gz ZBEUCLIERUHSBD-FQEVSTJZSA-N 2 2 390.531 3.901 20 0 GHADLP O=c1[nH]c2ccccc2n1C1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208945140 1035115086 /nfs/dbraw/zinc/11/50/86/1035115086.db2.gz ZBEUCLIERUHSBD-FQEVSTJZSA-N 2 2 390.531 3.901 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[NH+](C[C@H]4CC[N@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208949686 1035120875 /nfs/dbraw/zinc/12/08/75/1035120875.db2.gz NJOLEESWUDAWRS-CCDWMCETSA-N 3 2 375.560 3.572 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[NH+](C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208949686 1035120878 /nfs/dbraw/zinc/12/08/78/1035120878.db2.gz NJOLEESWUDAWRS-CCDWMCETSA-N 3 2 375.560 3.572 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@H+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)C2)cc1 ZINC001208949686 1035120882 /nfs/dbraw/zinc/12/08/82/1035120882.db2.gz NJOLEESWUDAWRS-CCDWMCETSA-N 3 2 375.560 3.572 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)C2)cc1 ZINC001208949686 1035120888 /nfs/dbraw/zinc/12/08/88/1035120888.db2.gz NJOLEESWUDAWRS-CCDWMCETSA-N 3 2 375.560 3.572 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1nc(Cl)ccc1F)CC2 ZINC001232156682 1035133628 /nfs/dbraw/zinc/13/36/28/1035133628.db2.gz HIFHFODEFQPYIV-OAHLLOKOSA-N 2 2 393.890 3.723 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1nc(Cl)ccc1F)CC2 ZINC001232156682 1035133635 /nfs/dbraw/zinc/13/36/35/1035133635.db2.gz HIFHFODEFQPYIV-OAHLLOKOSA-N 2 2 393.890 3.723 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)C[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001209006593 1035146478 /nfs/dbraw/zinc/14/64/78/1035146478.db2.gz HNDBNWSSACBUER-HXUWFJFHSA-N 2 2 391.531 3.731 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)C[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001209006593 1035146480 /nfs/dbraw/zinc/14/64/80/1035146480.db2.gz HNDBNWSSACBUER-HXUWFJFHSA-N 2 2 391.531 3.731 20 0 GHADLP Fc1cccc2c(C[NH+]3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)ccnc12 ZINC001232209060 1035163586 /nfs/dbraw/zinc/16/35/86/1035163586.db2.gz VJYXNXIIACLOSF-UHFFFAOYSA-N 2 2 392.478 3.640 20 0 GHADLP COC(=O)c1cccc(C[NH+]2CCC(Nc3cc(C)[nH+]c(C4CC4)n3)CC2)c1 ZINC001161172741 1035167149 /nfs/dbraw/zinc/16/71/49/1035167149.db2.gz BQNKWMQLHMEDCQ-UHFFFAOYSA-N 2 2 380.492 3.526 20 0 GHADLP FC(F)(F)c1ccc(CC[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC001209125032 1035184273 /nfs/dbraw/zinc/18/42/73/1035184273.db2.gz STVUCBVFOYCTOH-QZTJIDSGSA-N 2 2 375.438 3.707 20 0 GHADLP FC1(F)CC[N@H+](CCCc2ccncc2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001209184611 1035203278 /nfs/dbraw/zinc/20/32/78/1035203278.db2.gz CAOKTNXQPVBIKO-NRFANRHFSA-N 2 2 386.490 3.643 20 0 GHADLP FC1(F)CC[N@@H+](CCCc2ccncc2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001209184611 1035203282 /nfs/dbraw/zinc/20/32/82/1035203282.db2.gz CAOKTNXQPVBIKO-NRFANRHFSA-N 2 2 386.490 3.643 20 0 GHADLP FC1(F)CC[NH+](CCCc2ccncc2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001209184611 1035203285 /nfs/dbraw/zinc/20/32/85/1035203285.db2.gz CAOKTNXQPVBIKO-NRFANRHFSA-N 2 2 386.490 3.643 20 0 GHADLP FC1(F)CC[NH+](CCCc2ccncc2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001209184611 1035203287 /nfs/dbraw/zinc/20/32/87/1035203287.db2.gz CAOKTNXQPVBIKO-NRFANRHFSA-N 2 2 386.490 3.643 20 0 GHADLP Cc1ccc(CN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161397442 1035222009 /nfs/dbraw/zinc/22/20/09/1035222009.db2.gz WJYFNJJBKJRENI-MEMLXQNLSA-N 2 2 397.588 3.713 20 0 GHADLP Cc1ccc(CN(C(=O)C[N@H+]2CCc3sccc3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161397442 1035222014 /nfs/dbraw/zinc/22/20/14/1035222014.db2.gz WJYFNJJBKJRENI-MEMLXQNLSA-N 2 2 397.588 3.713 20 0 GHADLP CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001209318203 1035240439 /nfs/dbraw/zinc/24/04/39/1035240439.db2.gz KILCLTRKMRDVGH-NRFANRHFSA-N 2 2 396.535 3.882 20 0 GHADLP C[NH+](C)CC(=O)N[C@H]1CC[C@H](Nc2cc(SCc3ccccc3)cc[nH+]2)CC1 ZINC001161667945 1035282272 /nfs/dbraw/zinc/28/22/72/1035282272.db2.gz SWDRYBIUVNRRJS-WGSAOQKQSA-N 2 2 398.576 3.775 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4c(cn3)OCCC4)C[C@@H]21 ZINC001209503118 1035294958 /nfs/dbraw/zinc/29/49/58/1035294958.db2.gz SKKBCANPHBUBMQ-WTIAFYNJSA-N 2 2 392.547 3.534 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4c(cn3)OCCC4)C[C@@H]21 ZINC001209503118 1035294961 /nfs/dbraw/zinc/29/49/61/1035294961.db2.gz SKKBCANPHBUBMQ-WTIAFYNJSA-N 2 2 392.547 3.534 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4c(cn3)OCCC4)C[C@@H]21 ZINC001209503118 1035294964 /nfs/dbraw/zinc/29/49/64/1035294964.db2.gz SKKBCANPHBUBMQ-WTIAFYNJSA-N 2 2 392.547 3.534 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cn3)OCCC4)C[C@@H]21 ZINC001209503118 1035294966 /nfs/dbraw/zinc/29/49/66/1035294966.db2.gz SKKBCANPHBUBMQ-WTIAFYNJSA-N 2 2 392.547 3.534 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4c(cnn4[C@@H]4CCCCO4)c3)cc2)C1 ZINC001242449741 1035909784 /nfs/dbraw/zinc/90/97/84/1035909784.db2.gz AOMBMYRTNCBAER-GMAHTHKFSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4c(cnn4[C@@H]4CCCCO4)c3)cc2)C1 ZINC001242449741 1035909787 /nfs/dbraw/zinc/90/97/87/1035909787.db2.gz AOMBMYRTNCBAER-GMAHTHKFSA-N 2 2 376.504 3.935 20 0 GHADLP C[C@H]1C[NH2+]C[C@@H]1[NH2+]C[C@@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245983758 1037107847 /nfs/dbraw/zinc/10/78/47/1037107847.db2.gz OLILKJZGZHFCIT-KQPNJSLMSA-N 2 2 377.315 3.796 20 0 GHADLP O[C@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001246067772 1037179529 /nfs/dbraw/zinc/17/95/29/1037179529.db2.gz XOIOOSKFKHAXTC-OALUTQOASA-N 2 2 393.531 3.667 20 0 GHADLP O[C@H](COc1cccc2[nH]c3ccccc3c21)C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001246067772 1037179543 /nfs/dbraw/zinc/17/95/43/1037179543.db2.gz XOIOOSKFKHAXTC-OALUTQOASA-N 2 2 393.531 3.667 20 0 GHADLP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC4(CC[NH2+]CC4)Oc4ccccc43)CC[NH2+]2)cc1 ZINC001246132247 1037208047 /nfs/dbraw/zinc/20/80/47/1037208047.db2.gz OTRRJIBKRPSNGG-HJNYFJLDSA-N 3 2 377.532 3.715 20 0 GHADLP COC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246349143 1037310547 /nfs/dbraw/zinc/31/05/47/1037310547.db2.gz HCIPRMPEJJZSJO-DKSSEZFCSA-N 2 2 385.335 3.589 20 0 GHADLP [NH3+]CCC[C@H]([NH2+][C@@H]1CCc2cc(Cl)ccc2C1)C(=O)OCc1ccccc1 ZINC001246402280 1037359821 /nfs/dbraw/zinc/35/98/21/1037359821.db2.gz UWEXLECEAIOKFQ-RTWAWAEBSA-N 2 2 386.923 3.638 20 0 GHADLP Clc1cccc(CC2([NH2+][C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246427457 1037385405 /nfs/dbraw/zinc/38/54/05/1037385405.db2.gz HCLYCTROZQXDSF-GOTSBHOMSA-N 3 2 397.994 3.958 20 0 GHADLP CCC[NH+]1CCC([NH2+]C2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CC1 ZINC001246430382 1037391388 /nfs/dbraw/zinc/39/13/88/1037391388.db2.gz UVULLHSHMOMUIT-UHFFFAOYSA-N 3 2 383.502 3.834 20 0 GHADLP COc1cc(NC(=O)C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc2ccccc21 ZINC001246487277 1037433386 /nfs/dbraw/zinc/43/33/86/1037433386.db2.gz KVYRGGOSMKETSR-KNQAVFIVSA-N 2 2 389.499 3.870 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[N@H+]([C@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246593957 1037493010 /nfs/dbraw/zinc/49/30/10/1037493010.db2.gz OGXROPZXRGVDAC-RBBKRZOGSA-N 2 2 382.479 3.772 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[N@@H+]([C@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246593957 1037493023 /nfs/dbraw/zinc/49/30/23/1037493023.db2.gz OGXROPZXRGVDAC-RBBKRZOGSA-N 2 2 382.479 3.772 20 0 GHADLP C[C@H]1CC[C@@H]([N@@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)C[NH2+]1 ZINC001246657411 1037531590 /nfs/dbraw/zinc/53/15/90/1037531590.db2.gz HZCPXVIZSCYAAA-VSYWRSJOSA-N 2 2 379.548 3.672 20 0 GHADLP C[C@H]1CC[C@@H]([N@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)C[NH2+]1 ZINC001246657411 1037531607 /nfs/dbraw/zinc/53/16/07/1037531607.db2.gz HZCPXVIZSCYAAA-VSYWRSJOSA-N 2 2 379.548 3.672 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)CC2 ZINC001246739901 1037582087 /nfs/dbraw/zinc/58/20/87/1037582087.db2.gz OTAJWHQQALCOJY-VJBWXMMDSA-N 3 2 399.623 3.909 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)CC2 ZINC001246739901 1037582098 /nfs/dbraw/zinc/58/20/98/1037582098.db2.gz OTAJWHQQALCOJY-VJBWXMMDSA-N 3 2 399.623 3.909 20 0 GHADLP Clc1cccc(C[NH+]2CCN([C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)c1 ZINC001246784783 1037625590 /nfs/dbraw/zinc/62/55/90/1037625590.db2.gz ZZJDOQXERYKFQD-XZOQPEGZSA-N 2 2 383.967 3.821 20 0 GHADLP Clc1cccc(CN2CC[NH+]([C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)c1 ZINC001246784783 1037625599 /nfs/dbraw/zinc/62/55/99/1037625599.db2.gz ZZJDOQXERYKFQD-XZOQPEGZSA-N 2 2 383.967 3.821 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH+]2CCC(C(=O)OC(C)(C)C)CC2)CC[NH2+]1 ZINC001246791663 1037629981 /nfs/dbraw/zinc/62/99/81/1037629981.db2.gz LPTQFASFLRLIRP-ICSRJNTNSA-N 2 2 376.516 3.981 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH2+]1 ZINC001246825533 1037658119 /nfs/dbraw/zinc/65/81/19/1037658119.db2.gz VPGYUTKSBXUOGV-HOUBMWHVSA-N 2 2 379.523 3.886 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH2+]1 ZINC001246825533 1037658137 /nfs/dbraw/zinc/65/81/37/1037658137.db2.gz VPGYUTKSBXUOGV-HOUBMWHVSA-N 2 2 379.523 3.886 20 0 GHADLP CCC(CC)[N@H+]([C@@H]1CSC2(C[NH2+]C2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001246846197 1037671898 /nfs/dbraw/zinc/67/18/98/1037671898.db2.gz QEXIDEINSMQWKA-QFIPXVFZSA-N 3 2 387.637 3.989 20 0 GHADLP CCC(CC)[N@@H+]([C@@H]1CSC2(C[NH2+]C2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001246846197 1037671923 /nfs/dbraw/zinc/67/19/23/1037671923.db2.gz QEXIDEINSMQWKA-QFIPXVFZSA-N 3 2 387.637 3.989 20 0 GHADLP CCOc1cccc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)n1 ZINC001246848830 1037673775 /nfs/dbraw/zinc/67/37/75/1037673775.db2.gz CMGIDDSZFOAUAV-TZIWHRDSSA-N 2 2 398.526 3.543 20 0 GHADLP C[NH2+]C1CCC([N@@H+]2CCN3C(=O)c4ccccc4[C@]32c2ccc(Cl)cc2)CC1 ZINC001246858015 1037680744 /nfs/dbraw/zinc/68/07/44/1037680744.db2.gz AEQJYXXDNBSYLU-XWEVFREBSA-N 2 2 395.934 3.843 20 0 GHADLP C[NH2+]C1CCC([N@H+]2CCN3C(=O)c4ccccc4[C@]32c2ccc(Cl)cc2)CC1 ZINC001246858015 1037680749 /nfs/dbraw/zinc/68/07/49/1037680749.db2.gz AEQJYXXDNBSYLU-XWEVFREBSA-N 2 2 395.934 3.843 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246935178 1037737272 /nfs/dbraw/zinc/73/72/72/1037737272.db2.gz JYFPZCBIOBIQNY-HTAPYJJXSA-N 2 2 384.495 3.798 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246935178 1037737294 /nfs/dbraw/zinc/73/72/94/1037737294.db2.gz JYFPZCBIOBIQNY-HTAPYJJXSA-N 2 2 384.495 3.798 20 0 GHADLP Fc1cc(F)c(C[N@H+](C2CC[NH2+]CC2)[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)c(F)c1 ZINC001246958559 1037773844 /nfs/dbraw/zinc/77/38/44/1037773844.db2.gz SMXJUODNEJLLQJ-LAUBAEHRSA-N 3 2 381.486 3.580 20 0 GHADLP Fc1cc(F)c(C[N@@H+](C2CC[NH2+]CC2)[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)c(F)c1 ZINC001246958559 1037773863 /nfs/dbraw/zinc/77/38/63/1037773863.db2.gz SMXJUODNEJLLQJ-LAUBAEHRSA-N 3 2 381.486 3.580 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@H]([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246965098 1037787675 /nfs/dbraw/zinc/78/76/75/1037787675.db2.gz MTANCKGTJCHLTF-WBVHZDCISA-N 2 2 380.479 3.641 20 0 GHADLP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246965098 1037787693 /nfs/dbraw/zinc/78/76/93/1037787693.db2.gz MTANCKGTJCHLTF-WBVHZDCISA-N 2 2 380.479 3.641 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246972779 1037797391 /nfs/dbraw/zinc/79/73/91/1037797391.db2.gz IZSIDBGBWBVBFL-GHTZIAJQSA-N 3 2 386.490 3.720 20 0 GHADLP CC(C)(C)Oc1ccc(-c2noc([C@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)cc1 ZINC001247128717 1037936964 /nfs/dbraw/zinc/93/69/64/1037936964.db2.gz XJNNFLXKNWVRFX-QGZVFWFLSA-N 2 2 393.491 3.529 20 0 GHADLP c1cc2ccc(C[NH+]3CCN(c4cc[nH+]c(N5CCCC5)n4)CC3)cc2s1 ZINC001232616715 1038404625 /nfs/dbraw/zinc/40/46/25/1038404625.db2.gz UCUYRGVISXDOKZ-UHFFFAOYSA-N 2 2 379.533 3.614 20 0 GHADLP Oc1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1Cl ZINC001232786058 1038552091 /nfs/dbraw/zinc/55/20/91/1038552091.db2.gz OTHJRKGMXDGUBG-UHFFFAOYSA-N 2 2 376.884 3.506 20 0 GHADLP Oc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1Cl ZINC001232786058 1038552096 /nfs/dbraw/zinc/55/20/96/1038552096.db2.gz OTHJRKGMXDGUBG-UHFFFAOYSA-N 2 2 376.884 3.506 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](Cc1ccccc1-n1cccc1)CC2 ZINC001232912356 1038708560 /nfs/dbraw/zinc/70/85/60/1038708560.db2.gz VDKOYEIJEOGGIR-UHFFFAOYSA-N 2 2 377.536 3.875 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](Cc1ccccc1-n1cccc1)CC2 ZINC001232912356 1038708571 /nfs/dbraw/zinc/70/85/71/1038708571.db2.gz VDKOYEIJEOGGIR-UHFFFAOYSA-N 2 2 377.536 3.875 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001252019476 1038816297 /nfs/dbraw/zinc/81/62/97/1038816297.db2.gz YGESKGIDYBJSOO-AZUAARDMSA-N 2 2 394.991 3.549 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001252019476 1038816319 /nfs/dbraw/zinc/81/63/19/1038816319.db2.gz YGESKGIDYBJSOO-AZUAARDMSA-N 2 2 394.991 3.549 20 0 GHADLP c1ccc(OC2CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000509296108 1039104607 /nfs/dbraw/zinc/10/46/07/1039104607.db2.gz ZERGNKZKJFMIJS-UHFFFAOYSA-N 2 2 379.548 3.742 20 0 GHADLP O=C(c1cccs1)N1CCC2(CC1)CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC001233361829 1039189732 /nfs/dbraw/zinc/18/97/32/1039189732.db2.gz FZANOVWKKIOBBW-UHFFFAOYSA-N 2 2 394.544 3.914 20 0 GHADLP CC(C)[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)ONC(=O)OC(C)(C)C ZINC001462361424 1070200567 /nfs/dbraw/zinc/20/05/67/1070200567.db2.gz WSOHVAIADKYUHZ-INIZCTEOSA-N 2 2 380.514 3.504 20 0 GHADLP CCC(=O)Oc1ccc(C[N@@H+]2CCc3ccc(OC)cc3C23CC[NH2+]CC3)cc1 ZINC001235018274 1040506705 /nfs/dbraw/zinc/50/67/05/1040506705.db2.gz HGMOQQLEHPLSNK-UHFFFAOYSA-N 2 2 394.515 3.648 20 0 GHADLP CCC(=O)Oc1ccc(C[N@H+]2CCc3ccc(OC)cc3C23CC[NH2+]CC3)cc1 ZINC001235018274 1040506726 /nfs/dbraw/zinc/50/67/26/1040506726.db2.gz HGMOQQLEHPLSNK-UHFFFAOYSA-N 2 2 394.515 3.648 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254751871 1040512625 /nfs/dbraw/zinc/51/26/25/1040512625.db2.gz BNWDFCMHVKNPCJ-SFHVURJKSA-N 2 2 376.545 3.775 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254751871 1040512633 /nfs/dbraw/zinc/51/26/33/1040512633.db2.gz BNWDFCMHVKNPCJ-SFHVURJKSA-N 2 2 376.545 3.775 20 0 GHADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1I ZINC001235039538 1040534028 /nfs/dbraw/zinc/53/40/28/1040534028.db2.gz VGUMJPTYLUVNPI-KRWDZBQOSA-N 2 2 384.305 3.708 20 0 GHADLP Cc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1I ZINC001235039538 1040534045 /nfs/dbraw/zinc/53/40/45/1040534045.db2.gz VGUMJPTYLUVNPI-KRWDZBQOSA-N 2 2 384.305 3.708 20 0 GHADLP Brc1ccccc1C1(C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCOCC1 ZINC001254843759 1040589221 /nfs/dbraw/zinc/58/92/21/1040589221.db2.gz GUBOHDKQTLIBMZ-QGZVFWFLSA-N 2 2 393.369 3.571 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@]12CCC[N@@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254856540 1040601422 /nfs/dbraw/zinc/60/14/22/1040601422.db2.gz UZHZYFVYWWHOLH-SIKLNZKXSA-N 2 2 377.573 3.726 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@]12CCC[N@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254856540 1040601429 /nfs/dbraw/zinc/60/14/29/1040601429.db2.gz UZHZYFVYWWHOLH-SIKLNZKXSA-N 2 2 377.573 3.726 20 0 GHADLP FC(F)(F)c1ccccc1-c1ccc(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)o1 ZINC001235113845 1040601599 /nfs/dbraw/zinc/60/15/99/1040601599.db2.gz GTUNJJIFVCNKTG-IBGZPJMESA-N 2 2 380.410 3.920 20 0 GHADLP FC(F)(F)c1ccccc1-c1ccc(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)o1 ZINC001235113845 1040601612 /nfs/dbraw/zinc/60/16/12/1040601612.db2.gz GTUNJJIFVCNKTG-IBGZPJMESA-N 2 2 380.410 3.920 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C1)CCC([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)CC2 ZINC001254874860 1040620597 /nfs/dbraw/zinc/62/05/97/1040620597.db2.gz KRXXKBALSOBSJO-DKTYTTGXSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C1)CCC([NH2+][C@H]1CC[N@H+](C3CCC3)C1)CC2 ZINC001254874860 1040620611 /nfs/dbraw/zinc/62/06/11/1040620611.db2.gz KRXXKBALSOBSJO-DKTYTTGXSA-N 2 2 377.573 3.773 20 0 GHADLP C[N@H+](Cc1ccc(CC(F)(F)F)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462481317 1070288982 /nfs/dbraw/zinc/28/89/82/1070288982.db2.gz SAATZYHCTJDOOG-OAQYLSRUSA-N 2 2 392.465 3.860 20 0 GHADLP C[N@@H+](Cc1ccc(CC(F)(F)F)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462481317 1070288997 /nfs/dbraw/zinc/28/89/97/1070288997.db2.gz SAATZYHCTJDOOG-OAQYLSRUSA-N 2 2 392.465 3.860 20 0 GHADLP C[NH+](Cc1ccc(CC(F)(F)F)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001462481317 1070289014 /nfs/dbraw/zinc/28/90/14/1070289014.db2.gz SAATZYHCTJDOOG-OAQYLSRUSA-N 2 2 392.465 3.860 20 0 GHADLP C[NH+](Cc1ccc(CC(F)(F)F)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001462481317 1070289026 /nfs/dbraw/zinc/28/90/26/1070289026.db2.gz SAATZYHCTJDOOG-OAQYLSRUSA-N 2 2 392.465 3.860 20 0 GHADLP c1ccc([C@H]2C[NH2+]C[C@]23CCC[N@H+]3Cc2cccc(Oc3ncccn3)c2)cc1 ZINC001235249735 1040729845 /nfs/dbraw/zinc/72/98/45/1040729845.db2.gz WJTJNZQPIMESFQ-ISKFKSNPSA-N 2 2 386.499 3.991 20 0 GHADLP c1ccc([C@H]2C[NH2+]C[C@]23CCC[N@@H+]3Cc2cccc(Oc3ncccn3)c2)cc1 ZINC001235249735 1040729862 /nfs/dbraw/zinc/72/98/62/1040729862.db2.gz WJTJNZQPIMESFQ-ISKFKSNPSA-N 2 2 386.499 3.991 20 0 GHADLP COc1ccc(-c2cc(C[N@@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)no2)cc1 ZINC001235350387 1040827605 /nfs/dbraw/zinc/82/76/05/1040827605.db2.gz GUQHNXQJBYIUJT-ISKFKSNPSA-N 2 2 389.499 3.929 20 0 GHADLP COc1ccc(-c2cc(C[N@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)no2)cc1 ZINC001235350387 1040827633 /nfs/dbraw/zinc/82/76/33/1040827633.db2.gz GUQHNXQJBYIUJT-ISKFKSNPSA-N 2 2 389.499 3.929 20 0 GHADLP Cc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)nc1 ZINC001255145704 1040859249 /nfs/dbraw/zinc/85/92/49/1040859249.db2.gz SKDPIVOGWHRLPN-NUNAXRQHSA-N 2 2 376.548 3.708 20 0 GHADLP Cc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)nc1 ZINC001255145704 1040859271 /nfs/dbraw/zinc/85/92/71/1040859271.db2.gz SKDPIVOGWHRLPN-NUNAXRQHSA-N 2 2 376.548 3.708 20 0 GHADLP c1[nH+]cn(Cc2ccccc2)c1CN1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235368942 1040866409 /nfs/dbraw/zinc/86/64/09/1040866409.db2.gz XLFUTRKPKKCIMR-NOZRDPDXSA-N 2 2 386.543 3.685 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235369374 1040870609 /nfs/dbraw/zinc/87/06/09/1040870609.db2.gz MGAYELBKDMWCJC-ZCYQVOJMSA-N 3 2 386.543 3.934 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235369374 1040870634 /nfs/dbraw/zinc/87/06/34/1040870634.db2.gz MGAYELBKDMWCJC-ZCYQVOJMSA-N 3 2 386.543 3.934 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001255150693 1040873513 /nfs/dbraw/zinc/87/35/13/1040873513.db2.gz OPRNPTMPEDWSMF-NUNAXRQHSA-N 2 2 376.500 3.984 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001255150693 1040873525 /nfs/dbraw/zinc/87/35/25/1040873525.db2.gz OPRNPTMPEDWSMF-NUNAXRQHSA-N 2 2 376.500 3.984 20 0 GHADLP COC(=O)c1ccc2c(c1)C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255150693 1040873540 /nfs/dbraw/zinc/87/35/40/1040873540.db2.gz OPRNPTMPEDWSMF-NUNAXRQHSA-N 2 2 376.500 3.984 20 0 GHADLP COC(=O)c1ccc2c(c1)C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255150693 1040873551 /nfs/dbraw/zinc/87/35/51/1040873551.db2.gz OPRNPTMPEDWSMF-NUNAXRQHSA-N 2 2 376.500 3.984 20 0 GHADLP Clc1cc2[nH]cc(C[N@@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)c2cn1 ZINC001235382012 1040901602 /nfs/dbraw/zinc/90/16/02/1040901602.db2.gz LXBOAJYIBKTVFZ-XMSQKQJNSA-N 2 2 380.923 3.970 20 0 GHADLP Clc1cc2[nH]cc(C[N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)c2cn1 ZINC001235382012 1040901604 /nfs/dbraw/zinc/90/16/04/1040901604.db2.gz LXBOAJYIBKTVFZ-XMSQKQJNSA-N 2 2 380.923 3.970 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001255247940 1040925178 /nfs/dbraw/zinc/92/51/78/1040925178.db2.gz HANLGXMGFSHZIU-FCGDIQPGSA-N 2 2 387.524 3.774 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001255247940 1040925182 /nfs/dbraw/zinc/92/51/82/1040925182.db2.gz HANLGXMGFSHZIU-FCGDIQPGSA-N 2 2 387.524 3.774 20 0 GHADLP CCOC(=O)C[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cccnc1 ZINC001255394566 1040982438 /nfs/dbraw/zinc/98/24/38/1040982438.db2.gz VXZVLUSVFIRNSP-FGZHOGPDSA-N 2 2 381.520 3.720 20 0 GHADLP CCOC(=O)C[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cccnc1 ZINC001255394566 1040982441 /nfs/dbraw/zinc/98/24/41/1040982441.db2.gz VXZVLUSVFIRNSP-FGZHOGPDSA-N 2 2 381.520 3.720 20 0 GHADLP CCOc1ccc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)cc1F ZINC001235648059 1041089834 /nfs/dbraw/zinc/08/98/34/1041089834.db2.gz COXAKIICRPYOTH-UHFFFAOYSA-N 2 2 386.515 3.859 20 0 GHADLP CCOc1ccc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)cc1F ZINC001235648059 1041089855 /nfs/dbraw/zinc/08/98/55/1041089855.db2.gz COXAKIICRPYOTH-UHFFFAOYSA-N 2 2 386.515 3.859 20 0 GHADLP c1cc(-c2ccc3c(C4C[NH+](Cc5ccc6c(c5)CC[NH2+]C6)C4)[nH+]cn3c2)co1 ZINC001235657739 1041104523 /nfs/dbraw/zinc/10/45/23/1041104523.db2.gz QVMPFZNRFLGBEB-UHFFFAOYSA-N 3 2 384.483 3.839 20 0 GHADLP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC001235675397 1041134623 /nfs/dbraw/zinc/13/46/23/1041134623.db2.gz XFHYXEWBXNGPSC-UHFFFAOYSA-N 3 2 378.907 3.814 20 0 GHADLP Clc1ccc2c(c1)nccc2N1CC[NH+](Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC001235675397 1041134639 /nfs/dbraw/zinc/13/46/39/1041134639.db2.gz XFHYXEWBXNGPSC-UHFFFAOYSA-N 2 2 378.907 3.814 20 0 GHADLP Brc1cccc2nc(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)oc21 ZINC001235701499 1041178304 /nfs/dbraw/zinc/17/83/04/1041178304.db2.gz DKFJIXFSGFOZNW-UHFFFAOYSA-N 2 2 378.314 3.802 20 0 GHADLP c1ccc2c(c1)N=C(N1CC[NH+](C[C@@H]3CCC[NH2+]C3)CC1)c1ccccc1S2 ZINC001235713456 1041196206 /nfs/dbraw/zinc/19/62/06/1041196206.db2.gz FCRCPDWNAXZOCW-GOSISDBHSA-N 2 2 392.572 3.847 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@H](C)CSc3ccc(C)cc3)C2)C1 ZINC001255766359 1041282981 /nfs/dbraw/zinc/28/29/81/1041282981.db2.gz QQMHDYZZYQLNHO-IRLDBZIGSA-N 2 2 392.609 3.536 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+]([C@H](C)CSc3ccc(C)cc3)C2)C1 ZINC001255766359 1041282996 /nfs/dbraw/zinc/28/29/96/1041282996.db2.gz QQMHDYZZYQLNHO-IRLDBZIGSA-N 2 2 392.609 3.536 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@H](C)CSc3ccc(C)cc3)C2)C1 ZINC001255766359 1041283004 /nfs/dbraw/zinc/28/30/04/1041283004.db2.gz QQMHDYZZYQLNHO-IRLDBZIGSA-N 2 2 392.609 3.536 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+]([C@H](C)CSc3ccc(C)cc3)C2)C1 ZINC001255766359 1041283023 /nfs/dbraw/zinc/28/30/23/1041283023.db2.gz QQMHDYZZYQLNHO-IRLDBZIGSA-N 2 2 392.609 3.536 20 0 GHADLP CC1([NH+]2CCN(Cc3ccc(-c4ccccc4Cl)nc3)CC2)CC[NH2+]CC1 ZINC001235822658 1041339856 /nfs/dbraw/zinc/33/98/56/1041339856.db2.gz QKNHFGJSAGZQPL-UHFFFAOYSA-N 2 2 384.955 3.662 20 0 GHADLP Cc1cc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cnc1Br ZINC001235979239 1041484410 /nfs/dbraw/zinc/48/44/10/1041484410.db2.gz WUIDQWNSNVWDLL-UHFFFAOYSA-N 2 2 386.337 3.790 20 0 GHADLP Cc1cc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cnc1Br ZINC001235979239 1041484413 /nfs/dbraw/zinc/48/44/13/1041484413.db2.gz WUIDQWNSNVWDLL-UHFFFAOYSA-N 2 2 386.337 3.790 20 0 GHADLP Brc1ccc2[nH]cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c2c1 ZINC001236011938 1041504785 /nfs/dbraw/zinc/50/47/85/1041504785.db2.gz DUSZDOYPMCVHET-UTKZUKDTSA-N 2 2 396.332 3.903 20 0 GHADLP Brc1ccc2[nH]cc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c2c1 ZINC001236011938 1041504795 /nfs/dbraw/zinc/50/47/95/1041504795.db2.gz DUSZDOYPMCVHET-UTKZUKDTSA-N 2 2 396.332 3.903 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@]2(CCCC[N@@H+]2C2CC[NH+](C3CC3)CC2)C1 ZINC001256075015 1041509458 /nfs/dbraw/zinc/50/94/58/1041509458.db2.gz BFWWTPZASKXNGG-JOCHJYFZSA-N 2 2 377.573 3.869 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@]2(CCCC[N@H+]2C2CC[NH+](C3CC3)CC2)C1 ZINC001256075015 1041509462 /nfs/dbraw/zinc/50/94/62/1041509462.db2.gz BFWWTPZASKXNGG-JOCHJYFZSA-N 2 2 377.573 3.869 20 0 GHADLP c1ccc([C@H]2CCC[C@@H]([N@@H+]3CCc4nnc(C[NH+]5CCCCC5)n4CC3)C2)cc1 ZINC001256119588 1041551882 /nfs/dbraw/zinc/55/18/82/1041551882.db2.gz SQEMDLPGEGCNQH-FCHUYYIVSA-N 2 2 393.579 3.849 20 0 GHADLP c1ccc([C@H]2CCC[C@@H]([N@H+]3CCc4nnc(C[NH+]5CCCCC5)n4CC3)C2)cc1 ZINC001256119588 1041551896 /nfs/dbraw/zinc/55/18/96/1041551896.db2.gz SQEMDLPGEGCNQH-FCHUYYIVSA-N 2 2 393.579 3.849 20 0 GHADLP C[NH+]1CCC([N@@H+]2Cc3ccccc3C3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001256208269 1041649316 /nfs/dbraw/zinc/64/93/16/1041649316.db2.gz BYGBVTBZBXEMLN-UHFFFAOYSA-N 2 2 399.579 3.865 20 0 GHADLP C[NH+]1CCC([N@H+]2Cc3ccccc3C3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001256208269 1041649321 /nfs/dbraw/zinc/64/93/21/1041649321.db2.gz BYGBVTBZBXEMLN-UHFFFAOYSA-N 2 2 399.579 3.865 20 0 GHADLP Brc1cccn2c(C[N@H+](Cc3ccccc3)C3CC[NH2+]CC3)cnc12 ZINC001236300486 1041664582 /nfs/dbraw/zinc/66/45/82/1041664582.db2.gz FHLGFJICGNOYLN-UHFFFAOYSA-N 2 2 399.336 3.851 20 0 GHADLP Brc1cccn2c(C[N@@H+](Cc3ccccc3)C3CC[NH2+]CC3)cnc12 ZINC001236300486 1041664595 /nfs/dbraw/zinc/66/45/95/1041664595.db2.gz FHLGFJICGNOYLN-UHFFFAOYSA-N 2 2 399.336 3.851 20 0 GHADLP Clc1ccc(N2CCC([NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)CC2)cc1 ZINC001256310728 1041696373 /nfs/dbraw/zinc/69/63/73/1041696373.db2.gz SMBKIMMDVHXSDT-WOJBJXKFSA-N 2 2 396.966 3.768 20 0 GHADLP COc1ccc(C[N@H+](Cc2cnc(OC(C)C)cc2C)C2CC[NH2+]CC2)cc1 ZINC001236448155 1041716786 /nfs/dbraw/zinc/71/67/86/1041716786.db2.gz ZSLFBZVMOFYTOQ-UHFFFAOYSA-N 2 2 383.536 3.940 20 0 GHADLP COc1ccc(C[N@@H+](Cc2cnc(OC(C)C)cc2C)C2CC[NH2+]CC2)cc1 ZINC001236448155 1041716792 /nfs/dbraw/zinc/71/67/92/1041716792.db2.gz ZSLFBZVMOFYTOQ-UHFFFAOYSA-N 2 2 383.536 3.940 20 0 GHADLP Clc1cc(CN(Cc2cccnc2)[C@H]2CCC[NH2+]C2)ccc1-n1cc[nH+]c1 ZINC001236478301 1041733222 /nfs/dbraw/zinc/73/32/22/1041733222.db2.gz FIVUPXJLBVRYQL-IBGZPJMESA-N 2 2 381.911 3.675 20 0 GHADLP Fc1ccc(C[N@H+](Cc2ccc(-n3ccnc3)cc2)C2CC[NH2+]CC2)cc1F ZINC001236500723 1041742097 /nfs/dbraw/zinc/74/20/97/1041742097.db2.gz VCPVZLNZNZWIMP-UHFFFAOYSA-N 2 2 382.458 3.905 20 0 GHADLP Fc1ccc(C[N@@H+](Cc2ccc(-n3ccnc3)cc2)C2CC[NH2+]CC2)cc1F ZINC001236500723 1041742108 /nfs/dbraw/zinc/74/21/08/1041742108.db2.gz VCPVZLNZNZWIMP-UHFFFAOYSA-N 2 2 382.458 3.905 20 0 GHADLP Cc1ccc(F)cc1C[N@H+](Cc1c[nH]c(Br)c1)C1CC[NH2+]CC1 ZINC001236509663 1041745878 /nfs/dbraw/zinc/74/58/78/1041745878.db2.gz KAQDNDRVKSNXAE-UHFFFAOYSA-N 2 2 380.305 3.979 20 0 GHADLP Cc1ccc(F)cc1C[N@@H+](Cc1c[nH]c(Br)c1)C1CC[NH2+]CC1 ZINC001236509663 1041745883 /nfs/dbraw/zinc/74/58/83/1041745883.db2.gz KAQDNDRVKSNXAE-UHFFFAOYSA-N 2 2 380.305 3.979 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256468862 1041748152 /nfs/dbraw/zinc/74/81/52/1041748152.db2.gz BMOREDZIJIUXDE-SJORKVTESA-N 2 2 375.513 3.713 20 0 GHADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3ccc(F)c(F)c3Cl)C2)C1 ZINC001278935944 1041749890 /nfs/dbraw/zinc/74/98/90/1041749890.db2.gz VQUZLUAONHEGFN-FQEVSTJZSA-N 2 2 385.930 3.858 20 0 GHADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3ccc(F)c(F)c3Cl)C2)C1 ZINC001278935944 1041749897 /nfs/dbraw/zinc/74/98/97/1041749897.db2.gz VQUZLUAONHEGFN-FQEVSTJZSA-N 2 2 385.930 3.858 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236830578 1041920595 /nfs/dbraw/zinc/92/05/95/1041920595.db2.gz NXHDQNGFXGZPNK-WBIUFABUSA-N 2 2 396.318 3.821 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236830578 1041920601 /nfs/dbraw/zinc/92/06/01/1041920601.db2.gz NXHDQNGFXGZPNK-WBIUFABUSA-N 2 2 396.318 3.821 20 0 GHADLP Cc1cc(Br)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC001236832037 1041921486 /nfs/dbraw/zinc/92/14/86/1041921486.db2.gz TUJYFBJAIGVCMO-FIXISWKDSA-N 2 2 388.147 3.689 20 0 GHADLP Cc1cc(Br)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC001236832037 1041921489 /nfs/dbraw/zinc/92/14/89/1041921489.db2.gz TUJYFBJAIGVCMO-FIXISWKDSA-N 2 2 388.147 3.689 20 0 GHADLP COCCC[N@H+](Cc1ccc2cc(Br)ccc2c1)[C@H]1CC[NH2+]C1 ZINC001236945454 1041966762 /nfs/dbraw/zinc/96/67/62/1041966762.db2.gz FXYIDTUXDROEAD-IBGZPJMESA-N 2 2 377.326 3.803 20 0 GHADLP COCCC[N@@H+](Cc1ccc2cc(Br)ccc2c1)[C@H]1CC[NH2+]C1 ZINC001236945454 1041966764 /nfs/dbraw/zinc/96/67/64/1041966764.db2.gz FXYIDTUXDROEAD-IBGZPJMESA-N 2 2 377.326 3.803 20 0 GHADLP FC(F)Oc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1OC(F)F ZINC001237153794 1042066914 /nfs/dbraw/zinc/06/69/14/1042066914.db2.gz HVROOPDPLFBONA-AWEZNQCLSA-N 2 2 376.394 3.996 20 0 GHADLP FC(F)Oc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1OC(F)F ZINC001237153794 1042066918 /nfs/dbraw/zinc/06/69/18/1042066918.db2.gz HVROOPDPLFBONA-AWEZNQCLSA-N 2 2 376.394 3.996 20 0 GHADLP COc1cccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1Cl ZINC001237189722 1042085519 /nfs/dbraw/zinc/08/55/19/1042085519.db2.gz YTVLXTDUOHIROZ-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP COc1cccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1Cl ZINC001237189722 1042085522 /nfs/dbraw/zinc/08/55/22/1042085522.db2.gz YTVLXTDUOHIROZ-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP COc1cc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)ccc1OC(F)F ZINC001237275854 1042118669 /nfs/dbraw/zinc/11/86/69/1042118669.db2.gz BZNZKTWCSMMTAA-UHFFFAOYSA-N 2 2 388.458 3.934 20 0 GHADLP Brc1cnc2c(C[NH+]3CCC4(CC3)[NH2+]Cc3ccccc34)c[nH]c2c1 ZINC001237364172 1042171743 /nfs/dbraw/zinc/17/17/43/1042171743.db2.gz PVLZPROEHAPRTH-UHFFFAOYSA-N 2 2 397.320 3.920 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1OC(=O)c1cccs1 ZINC001237393765 1042187267 /nfs/dbraw/zinc/18/72/67/1042187267.db2.gz SSEBYCNIDIKWNV-IAGOWNOFSA-N 2 2 386.517 3.550 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1OC(=O)c1cccs1 ZINC001237393765 1042187272 /nfs/dbraw/zinc/18/72/72/1042187272.db2.gz SSEBYCNIDIKWNV-IAGOWNOFSA-N 2 2 386.517 3.550 20 0 GHADLP CC[N@H+](Cc1cc(Br)ccc1OC(F)F)C1CC[NH+](C)CC1 ZINC001237424331 1042201254 /nfs/dbraw/zinc/20/12/54/1042201254.db2.gz MJNCHKRCXCIEAG-UHFFFAOYSA-N 2 2 377.273 3.967 20 0 GHADLP CC[N@@H+](Cc1cc(Br)ccc1OC(F)F)C1CC[NH+](C)CC1 ZINC001237424331 1042201257 /nfs/dbraw/zinc/20/12/57/1042201257.db2.gz MJNCHKRCXCIEAG-UHFFFAOYSA-N 2 2 377.273 3.967 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc(F)c4cccnc24)CC3)cn1 ZINC001237426095 1042202913 /nfs/dbraw/zinc/20/29/13/1042202913.db2.gz IYOFAALNTVTCFK-UHFFFAOYSA-N 2 2 393.510 3.738 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccc(F)c4cccnc24)CC3)cn1 ZINC001237426095 1042202919 /nfs/dbraw/zinc/20/29/19/1042202919.db2.gz IYOFAALNTVTCFK-UHFFFAOYSA-N 2 2 393.510 3.738 20 0 GHADLP CCC[NH+](CCC)CCCN1CC[NH+](Cc2c(Cl)[nH]c3cnccc32)CC1 ZINC001237466560 1042219524 /nfs/dbraw/zinc/21/95/24/1042219524.db2.gz JABZGNSNCKDSMP-UHFFFAOYSA-N 2 2 391.991 3.846 20 0 GHADLP COC(=O)Cc1cccc(C[NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)c1 ZINC001237490615 1042233366 /nfs/dbraw/zinc/23/33/66/1042233366.db2.gz PLGPQHGWFTZCSX-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP COC(=O)Cc1cccc(C[NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)c1 ZINC001237490615 1042233371 /nfs/dbraw/zinc/23/33/71/1042233371.db2.gz PLGPQHGWFTZCSX-UHFFFAOYSA-N 2 2 384.495 3.638 20 0 GHADLP CC(C)c1cc(Br)ccc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001237737238 1042346796 /nfs/dbraw/zinc/34/67/96/1042346796.db2.gz RJESJVBLJSGYHE-UHFFFAOYSA-N 2 2 394.401 3.784 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cncc(Cl)c2Cl)CC3)cn1 ZINC001238005749 1042455443 /nfs/dbraw/zinc/45/54/43/1042455443.db2.gz TXUNSQGPOIRHGU-UHFFFAOYSA-N 2 2 394.350 3.753 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cncc(Cl)c2Cl)CC3)cn1 ZINC001238005749 1042455444 /nfs/dbraw/zinc/45/54/44/1042455444.db2.gz TXUNSQGPOIRHGU-UHFFFAOYSA-N 2 2 394.350 3.753 20 0 GHADLP CCC[NH+](CCC)CCN1CC[NH+](Cc2ccccc2Oc2cnccn2)CC1 ZINC001238020964 1042462246 /nfs/dbraw/zinc/46/22/46/1042462246.db2.gz XVRNNEGHUKZVIO-UHFFFAOYSA-N 2 2 397.567 3.509 20 0 GHADLP CC(C)Oc1c(F)cccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001238322143 1042557043 /nfs/dbraw/zinc/55/70/43/1042557043.db2.gz QEWUDVWYPGFJTO-CTNGQTDRSA-N 2 2 383.511 3.962 20 0 GHADLP CC(C)Oc1c(F)cccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001238322143 1042557044 /nfs/dbraw/zinc/55/70/44/1042557044.db2.gz QEWUDVWYPGFJTO-CTNGQTDRSA-N 2 2 383.511 3.962 20 0 GHADLP CC(C)Oc1c(F)cccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001238322143 1042557046 /nfs/dbraw/zinc/55/70/46/1042557046.db2.gz QEWUDVWYPGFJTO-CTNGQTDRSA-N 2 2 383.511 3.962 20 0 GHADLP CC(C)Oc1c(F)cccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001238322143 1042557047 /nfs/dbraw/zinc/55/70/47/1042557047.db2.gz QEWUDVWYPGFJTO-CTNGQTDRSA-N 2 2 383.511 3.962 20 0 GHADLP CC(C)c1cc(Br)cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC001238415976 1042588614 /nfs/dbraw/zinc/58/86/14/1042588614.db2.gz OKPFCDHOVWGIRX-UHFFFAOYSA-N 2 2 394.401 3.784 20 0 GHADLP NC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(F)c(-c4ccccc4)c3)CC2)CC1 ZINC001238549949 1042636989 /nfs/dbraw/zinc/63/69/89/1042636989.db2.gz WAZYELKMSNGFJF-UHFFFAOYSA-N 2 2 395.522 3.654 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cc(F)cc(N4CCCC4)c3)C2)C1 ZINC001238704839 1042693035 /nfs/dbraw/zinc/69/30/35/1042693035.db2.gz VORKQQPWVYXFEE-HSZRJFAPSA-N 2 2 389.559 3.749 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cc(F)cc(N4CCCC4)c3)C2)C1 ZINC001238704839 1042693040 /nfs/dbraw/zinc/69/30/40/1042693040.db2.gz VORKQQPWVYXFEE-HSZRJFAPSA-N 2 2 389.559 3.749 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cc(F)cc(N4CCCC4)c3)C2)C1 ZINC001238704839 1042693043 /nfs/dbraw/zinc/69/30/43/1042693043.db2.gz VORKQQPWVYXFEE-HSZRJFAPSA-N 2 2 389.559 3.749 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cc(F)cc(N4CCCC4)c3)C2)C1 ZINC001238704839 1042693047 /nfs/dbraw/zinc/69/30/47/1042693047.db2.gz VORKQQPWVYXFEE-HSZRJFAPSA-N 2 2 389.559 3.749 20 0 GHADLP CC(C)c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)n1 ZINC001238723504 1042702601 /nfs/dbraw/zinc/70/26/01/1042702601.db2.gz QBNODPSWEBUCOJ-MJGOQNOKSA-N 2 2 387.959 3.546 20 0 GHADLP CC(C)c1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)n1 ZINC001238723504 1042702604 /nfs/dbraw/zinc/70/26/04/1042702604.db2.gz QBNODPSWEBUCOJ-MJGOQNOKSA-N 2 2 387.959 3.546 20 0 GHADLP CC(C)c1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)n1 ZINC001238723504 1042702608 /nfs/dbraw/zinc/70/26/08/1042702608.db2.gz QBNODPSWEBUCOJ-MJGOQNOKSA-N 2 2 387.959 3.546 20 0 GHADLP CC(C)c1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)n1 ZINC001238723504 1042702615 /nfs/dbraw/zinc/70/26/15/1042702615.db2.gz QBNODPSWEBUCOJ-MJGOQNOKSA-N 2 2 387.959 3.546 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3cc(C)c(C)cc3OC)CC2)CC1 ZINC001238756147 1042715694 /nfs/dbraw/zinc/71/56/94/1042715694.db2.gz BXDABXQMPKUJCF-UHFFFAOYSA-N 2 2 388.552 3.552 20 0 GHADLP CC[NH+](CC)CCNC(=O)c1cc(-c2ccc3[nH+]ccn3c2)nc2ccccc21 ZINC001240214835 1042909503 /nfs/dbraw/zinc/90/95/03/1042909503.db2.gz SEVGCFNFFJHFED-UHFFFAOYSA-N 2 2 387.487 3.621 20 0 GHADLP c1ccc(C[N@H+]2CCC=C(c3ccc(OCC[NH+]4CCOCC4)cc3)C2)cc1 ZINC001240387570 1042924553 /nfs/dbraw/zinc/92/45/53/1042924553.db2.gz PWUDBIZCAKTMEC-UHFFFAOYSA-N 2 2 378.516 3.687 20 0 GHADLP c1ccc(C[N@@H+]2CCC=C(c3ccc(OCC[NH+]4CCOCC4)cc3)C2)cc1 ZINC001240387570 1042924556 /nfs/dbraw/zinc/92/45/56/1042924556.db2.gz PWUDBIZCAKTMEC-UHFFFAOYSA-N 2 2 378.516 3.687 20 0 GHADLP COc1cc(C[NH+]2CCOCC2)ccc1C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001240388802 1042924967 /nfs/dbraw/zinc/92/49/67/1042924967.db2.gz MCJUOLZEIGMTSP-UHFFFAOYSA-N 2 2 378.516 3.817 20 0 GHADLP COc1cc(C[NH+]2CCOCC2)ccc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240388802 1042924970 /nfs/dbraw/zinc/92/49/70/1042924970.db2.gz MCJUOLZEIGMTSP-UHFFFAOYSA-N 2 2 378.516 3.817 20 0 GHADLP CCOC(=O)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccnc1 ZINC001256532294 1043466635 /nfs/dbraw/zinc/46/66/35/1043466635.db2.gz XJUWSORZCYVNOK-QIJUGHKUSA-N 2 2 381.520 3.719 20 0 GHADLP CCOC(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccnc1 ZINC001256532294 1043466642 /nfs/dbraw/zinc/46/66/42/1043466642.db2.gz XJUWSORZCYVNOK-QIJUGHKUSA-N 2 2 381.520 3.719 20 0 GHADLP COC(=O)c1ccc(C2C[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)cc1 ZINC001256552880 1043518309 /nfs/dbraw/zinc/51/83/09/1043518309.db2.gz CXTYWCKQWMMKFQ-MBSDFSHPSA-N 2 2 378.516 3.926 20 0 GHADLP COC(=O)c1ccc(C2C[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)cc1 ZINC001256552880 1043518320 /nfs/dbraw/zinc/51/83/20/1043518320.db2.gz CXTYWCKQWMMKFQ-MBSDFSHPSA-N 2 2 378.516 3.926 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCN(c3cc(Cl)ccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256553654 1043522978 /nfs/dbraw/zinc/52/29/78/1043522978.db2.gz ISSAKMZBSIOKQE-GHTZIAJQSA-N 2 2 384.955 3.910 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCN(c3cc(Cl)ccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256553654 1043522986 /nfs/dbraw/zinc/52/29/86/1043522986.db2.gz ISSAKMZBSIOKQE-GHTZIAJQSA-N 2 2 384.955 3.910 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](C4CC[NH+](C(C)(C)C)CC4)CC3)C2)cc1 ZINC001256570435 1043543330 /nfs/dbraw/zinc/54/33/30/1043543330.db2.gz JVAZBSIPMWGEJI-UHFFFAOYSA-N 3 2 399.623 3.925 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C4CC[NH+](C(C)(C)C)CC4)CC3)C2)cc1 ZINC001256570435 1043543341 /nfs/dbraw/zinc/54/33/41/1043543341.db2.gz JVAZBSIPMWGEJI-UHFFFAOYSA-N 3 2 399.623 3.925 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH+]2CCC3(CC[C@H](C(=O)NCC4CC4)C3)CC2)CC1 ZINC001256572877 1043546120 /nfs/dbraw/zinc/54/61/20/1043546120.db2.gz ZQACPBVPHAORFB-IBGZPJMESA-N 2 2 375.601 3.658 20 0 GHADLP Brc1csc(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC001256586477 1043556362 /nfs/dbraw/zinc/55/63/62/1043556362.db2.gz GTVAPXQNWAOXQG-UHFFFAOYSA-N 2 2 380.355 3.702 20 0 GHADLP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccncc2)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256601848 1043565740 /nfs/dbraw/zinc/56/57/40/1043565740.db2.gz HTKJZXQKDBVNRE-YHBQERECSA-N 3 2 378.564 3.818 20 0 GHADLP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256601848 1043565748 /nfs/dbraw/zinc/56/57/48/1043565748.db2.gz HTKJZXQKDBVNRE-YHBQERECSA-N 3 2 378.564 3.818 20 0 GHADLP COc1cccc(OC2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC001256612095 1043576222 /nfs/dbraw/zinc/57/62/22/1043576222.db2.gz DURDFBVKQCISER-UHFFFAOYSA-N 2 2 381.520 3.598 20 0 GHADLP COCC[N@H+](C)[C@@H](CN[C@@H]1CCC[NH+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC001256910766 1043736968 /nfs/dbraw/zinc/73/69/68/1043736968.db2.gz DVJGREZIUNMMKI-IRLDBZIGSA-N 2 2 394.003 3.956 20 0 GHADLP COCC[N@@H+](C)[C@@H](CN[C@@H]1CCC[NH+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC001256910766 1043736975 /nfs/dbraw/zinc/73/69/75/1043736975.db2.gz DVJGREZIUNMMKI-IRLDBZIGSA-N 2 2 394.003 3.956 20 0 GHADLP COCC[NH+](C)[C@@H](CN[C@@H]1CCC[N@@H+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC001256910766 1043736985 /nfs/dbraw/zinc/73/69/85/1043736985.db2.gz DVJGREZIUNMMKI-IRLDBZIGSA-N 2 2 394.003 3.956 20 0 GHADLP COCC[NH+](C)[C@@H](CN[C@@H]1CCC[N@H+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC001256910766 1043736993 /nfs/dbraw/zinc/73/69/93/1043736993.db2.gz DVJGREZIUNMMKI-IRLDBZIGSA-N 2 2 394.003 3.956 20 0 GHADLP C[C@@H]1CC([N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)C[C@@H](C)O1 ZINC001257092613 1043840773 /nfs/dbraw/zinc/84/07/73/1043840773.db2.gz GBAFUUZVOLJSAJ-HLIPFELVSA-N 2 2 379.495 3.571 20 0 GHADLP C[C@@H]1CC([N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)C[C@@H](C)O1 ZINC001257092613 1043840798 /nfs/dbraw/zinc/84/07/98/1043840798.db2.gz GBAFUUZVOLJSAJ-HLIPFELVSA-N 2 2 379.495 3.571 20 0 GHADLP C[C@@H]1CC([NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)C[C@@H](C)O1 ZINC001257092613 1043840812 /nfs/dbraw/zinc/84/08/12/1043840812.db2.gz GBAFUUZVOLJSAJ-HLIPFELVSA-N 2 2 379.495 3.571 20 0 GHADLP C[C@@H]1CC([NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)C[C@@H](C)O1 ZINC001257092613 1043840832 /nfs/dbraw/zinc/84/08/32/1043840832.db2.gz GBAFUUZVOLJSAJ-HLIPFELVSA-N 2 2 379.495 3.571 20 0 GHADLP CCOC(=O)c1ccc(C[C@H](C)[NH+]2CCC([NH3+])(c3ccccc3OC)CC2)cc1 ZINC001257153071 1043901997 /nfs/dbraw/zinc/90/19/97/1043901997.db2.gz IMDMBNNEJULZKW-SFHVURJKSA-N 2 2 396.531 3.753 20 0 GHADLP CC(C)[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001257188800 1043927596 /nfs/dbraw/zinc/92/75/96/1043927596.db2.gz QXMNUYHMNMJSED-SLFFLAALSA-N 2 2 379.589 3.875 20 0 GHADLP CC(C)[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001257188800 1043927598 /nfs/dbraw/zinc/92/75/98/1043927598.db2.gz QXMNUYHMNMJSED-SLFFLAALSA-N 2 2 379.589 3.875 20 0 GHADLP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001257492279 1044018972 /nfs/dbraw/zinc/01/89/72/1044018972.db2.gz PRHUSHHBMIAZMW-UWFXLKAESA-N 2 2 384.564 3.864 20 0 GHADLP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001257492279 1044018987 /nfs/dbraw/zinc/01/89/87/1044018987.db2.gz PRHUSHHBMIAZMW-UWFXLKAESA-N 2 2 384.564 3.864 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@@H]21 ZINC001257816152 1044197899 /nfs/dbraw/zinc/19/78/99/1044197899.db2.gz QMZQUOHFKNSRCY-IWQHBPENSA-N 2 2 377.573 3.582 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@@H]21 ZINC001257816152 1044197900 /nfs/dbraw/zinc/19/79/00/1044197900.db2.gz QMZQUOHFKNSRCY-IWQHBPENSA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@@H]21 ZINC001257816152 1044197901 /nfs/dbraw/zinc/19/79/01/1044197901.db2.gz QMZQUOHFKNSRCY-IWQHBPENSA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@@H]21 ZINC001257816152 1044197904 /nfs/dbraw/zinc/19/79/04/1044197904.db2.gz QMZQUOHFKNSRCY-IWQHBPENSA-N 2 2 377.573 3.582 20 0 GHADLP c1c(C[NH+]2CCCC2)nc2n1CC[N@@H+](C1CCC(OCc3ccccc3)CC1)C2 ZINC001257831366 1044209505 /nfs/dbraw/zinc/20/95/05/1044209505.db2.gz WPVDWBHJKXJFNC-UHFFFAOYSA-N 2 2 394.563 3.823 20 0 GHADLP c1c(C[NH+]2CCCC2)nc2n1CC[N@H+](C1CCC(OCc3ccccc3)CC1)C2 ZINC001257831366 1044209514 /nfs/dbraw/zinc/20/95/14/1044209514.db2.gz WPVDWBHJKXJFNC-UHFFFAOYSA-N 2 2 394.563 3.823 20 0 GHADLP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3c(F)cc(Cl)cc3F)CC2)C1 ZINC001279063166 1044288958 /nfs/dbraw/zinc/28/89/58/1044288958.db2.gz OFVIACSCVKKDAP-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3c(F)cc(Cl)cc3F)CC2)C1 ZINC001279063166 1044288971 /nfs/dbraw/zinc/28/89/71/1044288971.db2.gz OFVIACSCVKKDAP-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258150054 1044440970 /nfs/dbraw/zinc/44/09/70/1044440970.db2.gz VPSKWPDYICBPKZ-JOCHJYFZSA-N 2 2 395.547 3.641 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258150054 1044440989 /nfs/dbraw/zinc/44/09/89/1044440989.db2.gz VPSKWPDYICBPKZ-JOCHJYFZSA-N 2 2 395.547 3.641 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCC([N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)C[C@@H](C)C1 ZINC001258171818 1044453073 /nfs/dbraw/zinc/45/30/73/1044453073.db2.gz SXGGLBONQCFXFT-HLNWXESRSA-N 2 2 379.589 3.875 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCC([N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)C[C@@H](C)C1 ZINC001258171818 1044453078 /nfs/dbraw/zinc/45/30/78/1044453078.db2.gz SXGGLBONQCFXFT-HLNWXESRSA-N 2 2 379.589 3.875 20 0 GHADLP COc1ccc(CC[C@H](C)N(c2cccc[nH+]2)[C@@H]2COC3(C2)CC[NH2+]CC3)cc1 ZINC001258400756 1044538384 /nfs/dbraw/zinc/53/83/84/1044538384.db2.gz FHRHNHWTKNVHQC-FPOVZHCZSA-N 2 2 395.547 3.829 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)CC1 ZINC001258772894 1044756785 /nfs/dbraw/zinc/75/67/85/1044756785.db2.gz BGZOTXCWMDDQSK-UHFFFAOYSA-N 2 2 389.609 3.941 20 0 GHADLP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC001258905072 1044859240 /nfs/dbraw/zinc/85/92/40/1044859240.db2.gz UCUHFSHKIJDRFB-LJQANCHMSA-N 3 2 389.584 3.538 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C1(c2ccccc2)CC[NH+](CC)CC1 ZINC001296344860 1045302402 /nfs/dbraw/zinc/30/24/02/1045302402.db2.gz NAUDYJJZURIMDS-UHFFFAOYSA-N 2 2 396.579 3.738 20 0 GHADLP COc1nc(Cl)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1C ZINC001261221054 1045927509 /nfs/dbraw/zinc/92/75/09/1045927509.db2.gz IBKXBQBYBCWAGN-AYHJJNSGSA-N 2 2 388.943 3.757 20 0 GHADLP COc1nc(Cl)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1C ZINC001261221054 1045927514 /nfs/dbraw/zinc/92/75/14/1045927514.db2.gz IBKXBQBYBCWAGN-AYHJJNSGSA-N 2 2 388.943 3.757 20 0 GHADLP Cc1cc(OC[C@H](O)C[NH2+]C[C@H]2CCCn3cc[nH+]c32)c(C(C)C)cc1Cl ZINC000566968851 1046047708 /nfs/dbraw/zinc/04/77/08/1046047708.db2.gz JTFBKANAEDBDEZ-IAGOWNOFSA-N 2 2 391.943 3.875 20 0 GHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000583748089 1046634841 /nfs/dbraw/zinc/63/48/41/1046634841.db2.gz QEJWIRTYKGHIJD-IRXDYDNUSA-N 2 2 395.469 3.707 20 0 GHADLP Cc1cc(Br)ccc1C[NH+]1CCC2(CCN(CC[NH+](C)C)C2)CC1 ZINC001279322821 1047767708 /nfs/dbraw/zinc/76/77/08/1047767708.db2.gz ROCAPFONMCJAHP-UHFFFAOYSA-N 2 2 394.401 3.607 20 0 GHADLP CC(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c(Br)c1 ZINC001280098599 1048079398 /nfs/dbraw/zinc/07/93/98/1048079398.db2.gz FRMCCYDPPMUAIY-KDURUIRLSA-N 2 2 394.401 3.783 20 0 GHADLP CC(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c(Br)c1 ZINC001280098599 1048079414 /nfs/dbraw/zinc/07/94/14/1048079414.db2.gz FRMCCYDPPMUAIY-KDURUIRLSA-N 2 2 394.401 3.783 20 0 GHADLP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001307575973 1049415320 /nfs/dbraw/zinc/41/53/20/1049415320.db2.gz MIHODZDEUJFGQX-RBUKOAKNSA-N 2 2 377.598 3.587 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(=Cc2ccccc2F)CC1)c1ccccc1 ZINC001307579115 1049416492 /nfs/dbraw/zinc/41/64/92/1049416492.db2.gz HWGPAACILXOKPO-QHCPKHFHSA-N 2 2 395.522 3.724 20 0 GHADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001307724311 1049538210 /nfs/dbraw/zinc/53/82/10/1049538210.db2.gz GPOUMUMNQCPJKY-OAHLLOKOSA-N 2 2 376.438 3.667 20 0 GHADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001307724311 1049538219 /nfs/dbraw/zinc/53/82/19/1049538219.db2.gz GPOUMUMNQCPJKY-OAHLLOKOSA-N 2 2 376.438 3.667 20 0 GHADLP CC(C)[C@H]([NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)C1(CO)CCC1 ZINC001307808689 1049605693 /nfs/dbraw/zinc/60/56/93/1049605693.db2.gz ZKLWWAWJBXJPJG-NRFANRHFSA-N 2 2 394.003 3.629 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)C1 ZINC001307904537 1049683336 /nfs/dbraw/zinc/68/33/36/1049683336.db2.gz LTIWCESBRSGFIN-GUDVDZBRSA-N 2 2 379.589 3.876 20 0 GHADLP Cc1[nH]c(C2CC[NH+](CC(=O)NC[C@@H](c3ccccc3)C(C)C)CC2)[nH+]c1C ZINC001308083410 1049829117 /nfs/dbraw/zinc/82/91/17/1049829117.db2.gz SMJGIOCTMFFJBL-OAQYLSRUSA-N 2 2 382.552 3.762 20 0 GHADLP FC(F)(F)c1nc2n(c1C[NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CCCC2 ZINC001308194925 1049908428 /nfs/dbraw/zinc/90/84/28/1049908428.db2.gz RMIZMXQYAXUCIG-UHFFFAOYSA-N 2 2 389.425 3.773 20 0 GHADLP Brc1ccc(-n2cc(C[NH2+]CCCNc3cccc[nH+]3)cn2)cc1 ZINC001308297003 1049941624 /nfs/dbraw/zinc/94/16/24/1049941624.db2.gz CCLCKVNPAFXBGT-UHFFFAOYSA-N 2 2 386.297 3.622 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)[NH+]1CCC[C@@H](C)C1 ZINC001290900175 1049948691 /nfs/dbraw/zinc/94/86/91/1049948691.db2.gz RIAGUNQDQDZIRQ-HLIPFELVSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)[NH+]1CCC[C@@H](C)C1 ZINC001290900175 1049948694 /nfs/dbraw/zinc/94/86/94/1049948694.db2.gz RIAGUNQDQDZIRQ-HLIPFELVSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001290900175 1049948699 /nfs/dbraw/zinc/94/86/99/1049948699.db2.gz RIAGUNQDQDZIRQ-HLIPFELVSA-N 2 2 377.960 3.541 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001290900175 1049948700 /nfs/dbraw/zinc/94/87/00/1049948700.db2.gz RIAGUNQDQDZIRQ-HLIPFELVSA-N 2 2 377.960 3.541 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC001308351464 1049955716 /nfs/dbraw/zinc/95/57/16/1049955716.db2.gz SIFGKTJHZDFJPF-UXHICEINSA-N 2 2 399.966 3.627 20 0 GHADLP CC1(C)C[C@H]([NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)C[N@H+]1Cc1ccccc1 ZINC001308351464 1049955718 /nfs/dbraw/zinc/95/57/18/1049955718.db2.gz SIFGKTJHZDFJPF-UXHICEINSA-N 2 2 399.966 3.627 20 0 GHADLP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001308659536 1050051186 /nfs/dbraw/zinc/05/11/86/1050051186.db2.gz XJDBEVOULOJUQL-QGZVFWFLSA-N 2 2 390.474 3.869 20 0 GHADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001308659536 1050051189 /nfs/dbraw/zinc/05/11/89/1050051189.db2.gz XJDBEVOULOJUQL-QGZVFWFLSA-N 2 2 390.474 3.869 20 0 GHADLP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001308746897 1050079717 /nfs/dbraw/zinc/07/97/17/1050079717.db2.gz JUFNDPJTSKPFCD-INIZCTEOSA-N 2 2 392.450 3.747 20 0 GHADLP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001308746897 1050079722 /nfs/dbraw/zinc/07/97/22/1050079722.db2.gz JUFNDPJTSKPFCD-INIZCTEOSA-N 2 2 392.450 3.747 20 0 GHADLP CC1(C)c2ccccc2CC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001308832486 1050113462 /nfs/dbraw/zinc/11/34/62/1050113462.db2.gz QFYMGTDTKXIWDY-UHFFFAOYSA-N 2 2 380.532 3.691 20 0 GHADLP CC1(C)c2ccccc2CC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001308832486 1050113467 /nfs/dbraw/zinc/11/34/67/1050113467.db2.gz QFYMGTDTKXIWDY-UHFFFAOYSA-N 2 2 380.532 3.691 20 0 GHADLP Cc1cc(-n2c(C)cc(C(=O)Nc3c[nH+]ccc3-n3cc[nH+]c3C)c2C)no1 ZINC001328355727 1050479375 /nfs/dbraw/zinc/47/93/75/1050479375.db2.gz LVMKZISJSUJIFP-UHFFFAOYSA-N 2 2 376.420 3.532 20 0 GHADLP CCOc1ccc(C[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC001328791900 1050639414 /nfs/dbraw/zinc/63/94/14/1050639414.db2.gz HORFAWUTBBBLSF-UHFFFAOYSA-N 2 2 384.520 3.558 20 0 GHADLP CCOc1ccc(C[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC001328791900 1050639426 /nfs/dbraw/zinc/63/94/26/1050639426.db2.gz HORFAWUTBBBLSF-UHFFFAOYSA-N 2 2 384.520 3.558 20 0 GHADLP C[N@H+](Cc1ccc(OC(F)F)cc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001329817025 1050908995 /nfs/dbraw/zinc/90/89/95/1050908995.db2.gz BXHNJJFLNAAIRA-PBWFPOADSA-N 2 2 376.394 3.946 20 0 GHADLP C[N@@H+](Cc1ccc(OC(F)F)cc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001329817025 1050908999 /nfs/dbraw/zinc/90/89/99/1050908999.db2.gz BXHNJJFLNAAIRA-PBWFPOADSA-N 2 2 376.394 3.946 20 0 GHADLP C[NH+](Cc1ccc(OC(F)F)cc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001329817025 1050909006 /nfs/dbraw/zinc/90/90/06/1050909006.db2.gz BXHNJJFLNAAIRA-PBWFPOADSA-N 2 2 376.394 3.946 20 0 GHADLP C[NH+](Cc1ccc(OC(F)F)cc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001329817025 1050909015 /nfs/dbraw/zinc/90/90/15/1050909015.db2.gz BXHNJJFLNAAIRA-PBWFPOADSA-N 2 2 376.394 3.946 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)c1ccccc1 ZINC001335892757 1052198489 /nfs/dbraw/zinc/19/84/89/1052198489.db2.gz RTMMJAORTNEUCM-CTNGQTDRSA-N 2 2 399.922 3.525 20 0 GHADLP C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001313050496 1052943906 /nfs/dbraw/zinc/94/39/06/1052943906.db2.gz ODGHEAOHPFQMEN-PGRDOPGGSA-N 2 2 389.503 3.507 20 0 GHADLP C[C@H](NC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001313050496 1052943909 /nfs/dbraw/zinc/94/39/09/1052943909.db2.gz ODGHEAOHPFQMEN-PGRDOPGGSA-N 2 2 389.503 3.507 20 0 GHADLP CN(C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001318463512 1054658196 /nfs/dbraw/zinc/65/81/96/1054658196.db2.gz FCWCCKCVZABBJQ-QFIPXVFZSA-N 2 2 397.607 3.643 20 0 GHADLP CN(C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001318463512 1054658207 /nfs/dbraw/zinc/65/82/07/1054658207.db2.gz FCWCCKCVZABBJQ-QFIPXVFZSA-N 2 2 397.607 3.643 20 0 GHADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001319490537 1055287198 /nfs/dbraw/zinc/28/71/98/1055287198.db2.gz NYEDLSXJHIRHGQ-HKUYNNGSSA-N 2 2 398.576 3.864 20 0 GHADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001319490537 1055287213 /nfs/dbraw/zinc/28/72/13/1055287213.db2.gz NYEDLSXJHIRHGQ-HKUYNNGSSA-N 2 2 398.576 3.864 20 0 GHADLP Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc(C)[nH+]1 ZINC001319822383 1055489388 /nfs/dbraw/zinc/48/93/88/1055489388.db2.gz PSCZADYADQMAQL-BEFAXECRSA-N 2 2 390.890 3.727 20 0 GHADLP Cc1cc(NC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc(C)[nH+]1 ZINC001319822383 1055489396 /nfs/dbraw/zinc/48/93/96/1055489396.db2.gz PSCZADYADQMAQL-BEFAXECRSA-N 2 2 390.890 3.727 20 0 GHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC001200703212 1056769652 /nfs/dbraw/zinc/76/96/52/1056769652.db2.gz LZBJBRSRWARIDU-UYAOXDASSA-N 2 2 394.437 3.558 20 0 GHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC001200703212 1056769662 /nfs/dbraw/zinc/76/96/62/1056769662.db2.gz LZBJBRSRWARIDU-UYAOXDASSA-N 2 2 394.437 3.558 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(-c4cccs4)s3)CC2)CC1 ZINC001325185751 1057285446 /nfs/dbraw/zinc/28/54/46/1057285446.db2.gz BYSZILJSKSOVQF-UHFFFAOYSA-N 2 2 389.590 3.765 20 0 GHADLP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001325579467 1057342925 /nfs/dbraw/zinc/34/29/25/1057342925.db2.gz JRQRIGPNDIEJBN-DXIQSLLYSA-N 2 2 392.632 3.553 20 0 GHADLP COC(=O)/C=C\c1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000848899026 1057407284 /nfs/dbraw/zinc/40/72/84/1057407284.db2.gz IZRYSHAHHYPCCD-RVFJIUOTSA-N 2 2 379.460 3.810 20 0 GHADLP COC(=O)/C=C\c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000848911004 1057415858 /nfs/dbraw/zinc/41/58/58/1057415858.db2.gz PKZVCOIRHOTXKJ-DJYGDJEFSA-N 2 2 380.488 3.564 20 0 GHADLP COC(=O)/C=C\c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000848911004 1057415863 /nfs/dbraw/zinc/41/58/63/1057415863.db2.gz PKZVCOIRHOTXKJ-DJYGDJEFSA-N 2 2 380.488 3.564 20 0 GHADLP COC(=O)/C=C\c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC000848911004 1057415864 /nfs/dbraw/zinc/41/58/64/1057415864.db2.gz PKZVCOIRHOTXKJ-DJYGDJEFSA-N 2 2 380.488 3.564 20 0 GHADLP COC(=O)/C=C\c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC000848911004 1057415869 /nfs/dbraw/zinc/41/58/69/1057415869.db2.gz PKZVCOIRHOTXKJ-DJYGDJEFSA-N 2 2 380.488 3.564 20 0 GHADLP [NH2+]=C(NCCc1cccs1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000849054744 1057564117 /nfs/dbraw/zinc/56/41/17/1057564117.db2.gz RKGHHUIFZUXLJD-GOSISDBHSA-N 2 2 376.957 3.895 20 0 GHADLP CC[N@H+](CC(=O)NCC1([NH+](C)C)CCCCCC1)Cc1ccccc1Cl ZINC001440613785 1058545191 /nfs/dbraw/zinc/54/51/91/1058545191.db2.gz VGMHEXQZIITBQY-UHFFFAOYSA-N 2 2 379.976 3.933 20 0 GHADLP CC[N@@H+](CC(=O)NCC1([NH+](C)C)CCCCCC1)Cc1ccccc1Cl ZINC001440613785 1058545212 /nfs/dbraw/zinc/54/52/12/1058545212.db2.gz VGMHEXQZIITBQY-UHFFFAOYSA-N 2 2 379.976 3.933 20 0 GHADLP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001440709977 1058592008 /nfs/dbraw/zinc/59/20/08/1058592008.db2.gz ZXKAWQFHXWVXAB-XZOQPEGZSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001440709977 1058592027 /nfs/dbraw/zinc/59/20/27/1058592027.db2.gz ZXKAWQFHXWVXAB-XZOQPEGZSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001440709977 1058592042 /nfs/dbraw/zinc/59/20/42/1058592042.db2.gz ZXKAWQFHXWVXAB-XZOQPEGZSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001440709977 1058592067 /nfs/dbraw/zinc/59/20/67/1058592067.db2.gz ZXKAWQFHXWVXAB-XZOQPEGZSA-N 2 2 395.522 3.571 20 0 GHADLP CC[C@@H](CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC001441234058 1058730176 /nfs/dbraw/zinc/73/01/76/1058730176.db2.gz BTZRSNKLLRABBZ-FCHUYYIVSA-N 2 2 399.966 3.896 20 0 GHADLP CC[C@@H](CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC001441234058 1058730189 /nfs/dbraw/zinc/73/01/89/1058730189.db2.gz BTZRSNKLLRABBZ-FCHUYYIVSA-N 2 2 399.966 3.896 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC001442658174 1058988914 /nfs/dbraw/zinc/98/89/14/1058988914.db2.gz HPVCCEODJKRMFG-GJJHYRHESA-N 2 2 377.960 3.807 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC001442658174 1058988920 /nfs/dbraw/zinc/98/89/20/1058988920.db2.gz HPVCCEODJKRMFG-GJJHYRHESA-N 2 2 377.960 3.807 20 0 GHADLP CC(C)C[C@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC001443101885 1059065584 /nfs/dbraw/zinc/06/55/84/1059065584.db2.gz IXUXNUSKTIHAGD-JOCHJYFZSA-N 2 2 382.552 3.841 20 0 GHADLP CC(C)C[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC001443101885 1059065605 /nfs/dbraw/zinc/06/56/05/1059065605.db2.gz IXUXNUSKTIHAGD-JOCHJYFZSA-N 2 2 382.552 3.841 20 0 GHADLP C[C@H]1C[C@@H](NC(=O)c2c[nH+]ccc2Nc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001445788178 1059617275 /nfs/dbraw/zinc/61/72/75/1059617275.db2.gz IMDHLJDYFKDNDE-GHTZIAJQSA-N 2 2 386.499 3.640 20 0 GHADLP C[C@H]1C[C@@H](NC(=O)c2c[nH+]ccc2Nc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001445788178 1059617303 /nfs/dbraw/zinc/61/73/03/1059617303.db2.gz IMDHLJDYFKDNDE-GHTZIAJQSA-N 2 2 386.499 3.640 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)c2c[nH+]ccc2Nc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001445788183 1059617727 /nfs/dbraw/zinc/61/77/27/1059617727.db2.gz IMDHLJDYFKDNDE-NQIIRXRSSA-N 2 2 386.499 3.640 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)c2c[nH+]ccc2Nc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001445788183 1059617742 /nfs/dbraw/zinc/61/77/42/1059617742.db2.gz IMDHLJDYFKDNDE-NQIIRXRSSA-N 2 2 386.499 3.640 20 0 GHADLP CN(C(=O)CCC[Si](C)(C)C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001447302985 1059945625 /nfs/dbraw/zinc/94/56/25/1059945625.db2.gz FDTPGBKHBWYLKZ-VQTJNVASSA-N 2 2 381.681 3.900 20 0 GHADLP CN(C(=O)CCC[Si](C)(C)C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001447302985 1059945629 /nfs/dbraw/zinc/94/56/29/1059945629.db2.gz FDTPGBKHBWYLKZ-VQTJNVASSA-N 2 2 381.681 3.900 20 0 GHADLP CCc1ccc([C@H]2CN(C(=O)c3ccc(C[NH+]4CCCCC4)o3)CC[NH2+]2)cc1 ZINC001448445366 1060185630 /nfs/dbraw/zinc/18/56/30/1060185630.db2.gz ALZHFPVPZPZOGM-OAQYLSRUSA-N 2 2 381.520 3.615 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC001341240247 1060524123 /nfs/dbraw/zinc/52/41/23/1060524123.db2.gz BOCUNOAZWBFXSK-HNNXBMFYSA-N 2 2 375.900 3.690 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC001341240247 1060524142 /nfs/dbraw/zinc/52/41/42/1060524142.db2.gz BOCUNOAZWBFXSK-HNNXBMFYSA-N 2 2 375.900 3.690 20 0 GHADLP C[C@H](CC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)C1CC[NH2+]CC1 ZINC001346105333 1061364918 /nfs/dbraw/zinc/36/49/18/1061364918.db2.gz YHRYEJIAFAWKPJ-MRXNPFEDSA-N 2 2 383.540 3.513 20 0 GHADLP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001300229510 1065771172 /nfs/dbraw/zinc/77/11/72/1065771172.db2.gz UGSWLZMJVYLVQL-SLFFLAALSA-N 2 2 388.515 3.996 20 0 GHADLP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001300229510 1065771183 /nfs/dbraw/zinc/77/11/83/1065771183.db2.gz UGSWLZMJVYLVQL-SLFFLAALSA-N 2 2 388.515 3.996 20 0 GHADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC001467117987 1067079765 /nfs/dbraw/zinc/07/97/65/1067079765.db2.gz BJECPEUZPDRYNO-NRFANRHFSA-N 2 2 399.514 3.583 20 0 GHADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC001477598980 1078484934 /nfs/dbraw/zinc/48/49/34/1078484934.db2.gz WHOLJQSRJLSTAY-PRUHCIRGSA-N 2 2 398.595 3.538 20 0 GHADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC001477598980 1078484940 /nfs/dbraw/zinc/48/49/40/1078484940.db2.gz WHOLJQSRJLSTAY-PRUHCIRGSA-N 2 2 398.595 3.538 20 0 GHADLP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](c2ccc(SC)cc2)[NH+](C)C)c1 ZINC000849113683 1067734338 /nfs/dbraw/zinc/73/43/38/1067734338.db2.gz ZYRZYYMEJXZSOV-GOSISDBHSA-N 2 2 388.537 3.665 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001460706747 1069105079 /nfs/dbraw/zinc/10/50/79/1069105079.db2.gz IOZCGXLBIFVBBU-OKZBNKHCSA-N 2 2 392.503 3.604 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001460706747 1069105094 /nfs/dbraw/zinc/10/50/94/1069105094.db2.gz IOZCGXLBIFVBBU-OKZBNKHCSA-N 2 2 392.503 3.604 20 0 GHADLP C[C@@H](C(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)n1cc[nH+]c1 ZINC001472162091 1073352638 /nfs/dbraw/zinc/35/26/38/1073352638.db2.gz PSQWJYWPRZTEHK-NGYIFUPDSA-N 2 2 388.515 3.619 20 0 GHADLP C[C@@H](C(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)n1cc[nH+]c1 ZINC001472162091 1073352641 /nfs/dbraw/zinc/35/26/41/1073352641.db2.gz PSQWJYWPRZTEHK-NGYIFUPDSA-N 2 2 388.515 3.619 20 0 GHADLP CC1(C)CO[C@H](C[NH+]2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)C1 ZINC001473529174 1074004149 /nfs/dbraw/zinc/00/41/49/1074004149.db2.gz SYXVDBNEZVGIHK-NRFANRHFSA-N 2 2 391.987 3.742 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)Cc3nc4ccccc4[nH]3)cc2)C[C@H](C)O1 ZINC001473597625 1074039444 /nfs/dbraw/zinc/03/94/44/1074039444.db2.gz JFIOGBUFEZGNEB-HDICACEKSA-N 2 2 378.520 3.804 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3nc4ccccc4[nH]3)cc2)C[C@H](C)O1 ZINC001473597625 1074039450 /nfs/dbraw/zinc/03/94/50/1074039450.db2.gz JFIOGBUFEZGNEB-HDICACEKSA-N 2 2 378.520 3.804 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3nc4ccccc4[nH]3)cc2)C[C@H](C)O1 ZINC001473597625 1074039455 /nfs/dbraw/zinc/03/94/55/1074039455.db2.gz JFIOGBUFEZGNEB-HDICACEKSA-N 2 2 378.520 3.804 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3nc4ccccc4[nH]3)cc2)C[C@H](C)O1 ZINC001473597625 1074039461 /nfs/dbraw/zinc/03/94/61/1074039461.db2.gz JFIOGBUFEZGNEB-HDICACEKSA-N 2 2 378.520 3.804 20 0 GHADLP COc1ccc(NC(=O)CC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1Cl ZINC001473747416 1074121274 /nfs/dbraw/zinc/12/12/74/1074121274.db2.gz OKKSFURSHCXTMS-IBGZPJMESA-N 2 2 398.894 3.905 20 0 GHADLP COc1ccc(Br)c(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC001473759378 1074127865 /nfs/dbraw/zinc/12/78/65/1074127865.db2.gz FFNAAVJGCDNGOK-AWEZNQCLSA-N 2 2 376.298 3.563 20 0 GHADLP COc1ccc(Br)c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC001473759378 1074127870 /nfs/dbraw/zinc/12/78/70/1074127870.db2.gz FFNAAVJGCDNGOK-AWEZNQCLSA-N 2 2 376.298 3.563 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc3cc[nH]c3c2)C1 ZINC001473897373 1074194944 /nfs/dbraw/zinc/19/49/44/1074194944.db2.gz KBBDYRRSJHZYHM-RBUKOAKNSA-N 2 2 396.535 3.739 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc3cc[nH]c3c2)C1 ZINC001473897373 1074194946 /nfs/dbraw/zinc/19/49/46/1074194946.db2.gz KBBDYRRSJHZYHM-RBUKOAKNSA-N 2 2 396.535 3.739 20 0 GHADLP Brc1ccc(Br)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC001473927868 1074207086 /nfs/dbraw/zinc/20/70/86/1074207086.db2.gz JKEWHJXYAQSVBC-NSHDSACASA-N 2 2 388.147 3.786 20 0 GHADLP Brc1ccc(Br)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC001473927868 1074207093 /nfs/dbraw/zinc/20/70/93/1074207093.db2.gz JKEWHJXYAQSVBC-NSHDSACASA-N 2 2 388.147 3.786 20 0 GHADLP Fc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c2ncccc12 ZINC001473929041 1074208195 /nfs/dbraw/zinc/20/81/95/1074208195.db2.gz PWWMOJDTPCFAIH-UHFFFAOYSA-N 2 2 378.495 3.676 20 0 GHADLP CCn1cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(-c2ccccc2)n1 ZINC001474076841 1074256086 /nfs/dbraw/zinc/25/60/86/1074256086.db2.gz KDIMWFUBMBRFHY-NRFANRHFSA-N 2 2 390.535 3.717 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C[C@@H](c2ccccc2)C1 ZINC001474155784 1074278690 /nfs/dbraw/zinc/27/86/90/1074278690.db2.gz OPTKXQUEGRVLQJ-JNSABCDYSA-N 2 2 378.560 3.968 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C[C@@H](c2ccccc2)C1 ZINC001474155784 1074278695 /nfs/dbraw/zinc/27/86/95/1074278695.db2.gz OPTKXQUEGRVLQJ-JNSABCDYSA-N 2 2 378.560 3.968 20 0 GHADLP C[C@H]([NH2+]Cc1ncc(Br)cc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001474397088 1074384201 /nfs/dbraw/zinc/38/42/01/1074384201.db2.gz SAYPSPBODNTNCF-GOEBONIOSA-N 2 2 390.325 3.550 20 0 GHADLP C[C@H]([NH2+]Cc1ncc(Br)cc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001474397088 1074384215 /nfs/dbraw/zinc/38/42/15/1074384215.db2.gz SAYPSPBODNTNCF-GOEBONIOSA-N 2 2 390.325 3.550 20 0 GHADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC001474716604 1074531215 /nfs/dbraw/zinc/53/12/15/1074531215.db2.gz QORUIIUJLVGWEM-HOJAQTOUSA-N 2 2 390.572 3.842 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001654630324 1126253949 /nfs/dbraw/zinc/25/39/49/1126253949.db2.gz VHNLFVVSZJTNKO-VQTJNVASSA-N 2 2 389.421 3.805 20 0 GHADLP Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)cc1 ZINC001656091834 1126256490 /nfs/dbraw/zinc/25/64/90/1126256490.db2.gz ZDNYTADHQUCJOS-FQEVSTJZSA-N 2 2 399.922 3.617 20 0 GHADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)c3cn4ccccc4n3)[nH+]c12 ZINC000550902711 370699753 /nfs/dbraw/zinc/69/97/53/370699753.db2.gz WNCSFBWTNKCVRF-AWEZNQCLSA-N 2 2 398.308 3.946 20 0 GHADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826523497 607734736 /nfs/dbraw/zinc/73/47/36/607734736.db2.gz ONRMFVZIRFNWKQ-UHFFFAOYSA-N 2 2 391.523 3.507 20 0 GHADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000826304660 608369753 /nfs/dbraw/zinc/36/97/53/608369753.db2.gz TVQNLAFTRWGHAS-ULQDDVLXSA-N 2 2 391.523 3.565 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824546398 609335185 /nfs/dbraw/zinc/33/51/85/609335185.db2.gz IQPTVTNHROBAQD-HOTGVXAUSA-N 2 2 394.498 3.882 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000824546400 609335424 /nfs/dbraw/zinc/33/54/24/609335424.db2.gz IQPTVTNHROBAQD-JKSUJKDBSA-N 2 2 394.498 3.882 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824554405 609338107 /nfs/dbraw/zinc/33/81/07/609338107.db2.gz PPIZWVSKZWAXFI-CKJXQJPGSA-N 2 2 394.498 3.567 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824554405 609338108 /nfs/dbraw/zinc/33/81/08/609338108.db2.gz PPIZWVSKZWAXFI-CKJXQJPGSA-N 2 2 394.498 3.567 20 0 GHADLP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824586513 609338635 /nfs/dbraw/zinc/33/86/35/609338635.db2.gz ZHMVFFDNRSRPIH-JKSUJKDBSA-N 2 2 382.487 3.567 20 0 GHADLP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824586513 609338636 /nfs/dbraw/zinc/33/86/36/609338636.db2.gz ZHMVFFDNRSRPIH-JKSUJKDBSA-N 2 2 382.487 3.567 20 0 GHADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H](C)[N@@H+](C)C[C@@H]3C)c2c1C ZINC001164637605 719236813 /nfs/dbraw/zinc/23/68/13/719236813.db2.gz WPBPXIHQDBIQKP-CABCVRRESA-N 2 2 387.597 3.823 20 0 GHADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H](C)[N@H+](C)C[C@@H]3C)c2c1C ZINC001164637605 719236817 /nfs/dbraw/zinc/23/68/17/719236817.db2.gz WPBPXIHQDBIQKP-CABCVRRESA-N 2 2 387.597 3.823 20 0 GHADLP Cc1cc2ccccc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)[nH+]1 ZINC001164808256 721567727 /nfs/dbraw/zinc/56/77/27/721567727.db2.gz UWPLGHMPQCIMPL-VJBWXMMDSA-N 2 2 388.515 3.806 20 0 GHADLP Cc1cc2ccccc2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)[nH+]1 ZINC001164808256 721567730 /nfs/dbraw/zinc/56/77/30/721567730.db2.gz UWPLGHMPQCIMPL-VJBWXMMDSA-N 2 2 388.515 3.806 20 0 GHADLP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(N(C)C)[nH+]1 ZINC000162467952 837324176 /nfs/dbraw/zinc/32/41/76/837324176.db2.gz APELJAXGAKBBKO-YJBOKZPZSA-N 2 2 387.553 3.722 20 0 GHADLP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(N(C)C)[nH+]1 ZINC000162467952 837324188 /nfs/dbraw/zinc/32/41/88/837324188.db2.gz APELJAXGAKBBKO-YJBOKZPZSA-N 2 2 387.553 3.722 20 0 GHADLP CCN(CC)[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Cl ZINC000655684321 837666997 /nfs/dbraw/zinc/66/69/97/837666997.db2.gz OAAVVVXGFPAUHB-DENIHFKCSA-N 2 2 394.003 3.956 20 0 GHADLP CCC[NH+]1CCC([NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)CC1 ZINC000655705013 837694900 /nfs/dbraw/zinc/69/49/00/837694900.db2.gz TWWNQYFRNWJKOH-UHFFFAOYSA-N 2 2 391.357 3.907 20 0 GHADLP COc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1OC1CCCC1 ZINC000655712594 837703954 /nfs/dbraw/zinc/70/39/54/837703954.db2.gz RQKQIAYUMUOMFD-NRFANRHFSA-N 2 2 388.552 3.750 20 0 GHADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000655713159 837707052 /nfs/dbraw/zinc/70/70/52/837707052.db2.gz XDZUXLVFXIKGSG-UHFFFAOYSA-N 2 2 390.531 3.611 20 0 GHADLP C[C@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000127467326 834461851 /nfs/dbraw/zinc/46/18/51/834461851.db2.gz OLIGWQXPMFMKEX-SFHVURJKSA-N 2 2 383.517 3.528 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(OC)c1O ZINC000583526357 834570603 /nfs/dbraw/zinc/57/06/03/834570603.db2.gz IENOKJYZBHHYIA-QHCPKHFHSA-N 2 2 382.504 3.507 20 0 GHADLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(OC)c1O ZINC000583526357 834570611 /nfs/dbraw/zinc/57/06/11/834570611.db2.gz IENOKJYZBHHYIA-QHCPKHFHSA-N 2 2 382.504 3.507 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(OC)c1O ZINC000583526357 834570614 /nfs/dbraw/zinc/57/06/14/834570614.db2.gz IENOKJYZBHHYIA-QHCPKHFHSA-N 2 2 382.504 3.507 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc(OC)c1O ZINC000583526357 834570621 /nfs/dbraw/zinc/57/06/21/834570621.db2.gz IENOKJYZBHHYIA-QHCPKHFHSA-N 2 2 382.504 3.507 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000172749843 834642498 /nfs/dbraw/zinc/64/24/98/834642498.db2.gz VKQVZKUIANUNKE-VQTJNVASSA-N 2 2 389.971 3.510 20 0 GHADLP C[C@@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@@H+]1CCC[C@@H](C)C1 ZINC000536082424 834729919 /nfs/dbraw/zinc/72/99/19/834729919.db2.gz OPXTVJYECJVUGY-MSOLQXFVSA-N 2 2 393.535 3.844 20 0 GHADLP C[C@@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@H+]1CCC[C@@H](C)C1 ZINC000536082424 834729926 /nfs/dbraw/zinc/72/99/26/834729926.db2.gz OPXTVJYECJVUGY-MSOLQXFVSA-N 2 2 393.535 3.844 20 0 GHADLP C[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)C[C@H]1n1cc[nH+]c1 ZINC000129395580 834863101 /nfs/dbraw/zinc/86/31/01/834863101.db2.gz DUYUFXMLPUGHJP-YLJYHZDGSA-N 2 2 399.564 3.547 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C(F)F)nc1 ZINC000657889643 834966041 /nfs/dbraw/zinc/96/60/41/834966041.db2.gz SQFSRRXVYDIGMZ-ZYSHUDEJSA-N 2 2 375.463 3.553 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C(F)F)nc1 ZINC000657889643 834966048 /nfs/dbraw/zinc/96/60/48/834966048.db2.gz SQFSRRXVYDIGMZ-ZYSHUDEJSA-N 2 2 375.463 3.553 20 0 GHADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000685418005 834996964 /nfs/dbraw/zinc/99/69/64/834996964.db2.gz YYVJOTAHFGMKSN-QGZVFWFLSA-N 2 2 381.307 3.763 20 0 GHADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000685418005 834996974 /nfs/dbraw/zinc/99/69/74/834996974.db2.gz YYVJOTAHFGMKSN-QGZVFWFLSA-N 2 2 381.307 3.763 20 0 GHADLP CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000685469985 835034216 /nfs/dbraw/zinc/03/42/16/835034216.db2.gz CJWTXRRAOPVROO-CZUORRHYSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000685469985 835034222 /nfs/dbraw/zinc/03/42/22/835034222.db2.gz CJWTXRRAOPVROO-CZUORRHYSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000685469985 835034231 /nfs/dbraw/zinc/03/42/31/835034231.db2.gz CJWTXRRAOPVROO-CZUORRHYSA-N 2 2 385.346 3.628 20 0 GHADLP CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000685469985 835034235 /nfs/dbraw/zinc/03/42/35/835034235.db2.gz CJWTXRRAOPVROO-CZUORRHYSA-N 2 2 385.346 3.628 20 0 GHADLP C[N@@H+]1CCN(CCC[NH2+]Cc2ncc(C(F)(F)F)s2)[C@H](c2ccccc2)C1 ZINC000433327855 844019679 /nfs/dbraw/zinc/01/96/79/844019679.db2.gz BEWLKIGAJYEMPG-INIZCTEOSA-N 2 2 398.498 3.630 20 0 GHADLP C[N@H+]1CCN(CCC[NH2+]Cc2ncc(C(F)(F)F)s2)[C@H](c2ccccc2)C1 ZINC000433327855 844019688 /nfs/dbraw/zinc/01/96/88/844019688.db2.gz BEWLKIGAJYEMPG-INIZCTEOSA-N 2 2 398.498 3.630 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090142 835415483 /nfs/dbraw/zinc/41/54/83/835415483.db2.gz DUSBQKPKEKDXRV-HIFRSBDPSA-N 2 2 387.446 3.765 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090142 835415486 /nfs/dbraw/zinc/41/54/86/835415486.db2.gz DUSBQKPKEKDXRV-HIFRSBDPSA-N 2 2 387.446 3.765 20 0 GHADLP Fc1cc(Br)ccc1[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000658296545 835561429 /nfs/dbraw/zinc/56/14/29/835561429.db2.gz UAUPZLJKMPOCMQ-LPHOPBHVSA-N 2 2 397.332 3.882 20 0 GHADLP COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1OCCO ZINC000151685205 835727818 /nfs/dbraw/zinc/72/78/18/835727818.db2.gz KINZDZUCFARNIX-DLBZAZTESA-N 2 2 381.476 3.664 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000151687651 835729376 /nfs/dbraw/zinc/72/93/76/835729376.db2.gz CBSLUEUZESSIIO-UHFFFAOYSA-N 3 2 389.547 3.694 20 0 GHADLP c1c(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)nnn1Cc1ccccc1 ZINC000892466533 835815774 /nfs/dbraw/zinc/81/57/74/835815774.db2.gz QYKCXYVSBOBQJU-UHFFFAOYSA-N 2 2 375.520 3.602 20 0 GHADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000278748666 835950239 /nfs/dbraw/zinc/95/02/39/835950239.db2.gz WWJXQVOJSXMRBN-KRWDZBQOSA-N 2 2 381.524 3.692 20 0 GHADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000278748666 835950247 /nfs/dbraw/zinc/95/02/47/835950247.db2.gz WWJXQVOJSXMRBN-KRWDZBQOSA-N 2 2 381.524 3.692 20 0 GHADLP C[C@H]([NH3+])c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000569807674 836017575 /nfs/dbraw/zinc/01/75/75/836017575.db2.gz RAPIUESUFDUOAS-HNNXBMFYSA-N 2 2 392.528 3.973 20 0 GHADLP C[C@H]([NH3+])c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000569807674 836017586 /nfs/dbraw/zinc/01/75/86/836017586.db2.gz RAPIUESUFDUOAS-HNNXBMFYSA-N 2 2 392.528 3.973 20 0 GHADLP CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000893788968 844145542 /nfs/dbraw/zinc/14/55/42/844145542.db2.gz PBTZOGOBWILMIJ-IFMALSPDSA-N 2 2 397.567 3.615 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3conc3Cc3ccccc3)c2)CCO1 ZINC000549723443 844167758 /nfs/dbraw/zinc/16/77/58/844167758.db2.gz TUJVSFPQRAUCCJ-LJQANCHMSA-N 2 2 391.515 3.776 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3conc3Cc3ccccc3)c2)CCO1 ZINC000549723443 844167761 /nfs/dbraw/zinc/16/77/61/844167761.db2.gz TUJVSFPQRAUCCJ-LJQANCHMSA-N 2 2 391.515 3.776 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248867296 836663465 /nfs/dbraw/zinc/66/34/65/836663465.db2.gz IDICROURXRWAFH-RBUKOAKNSA-N 2 2 375.875 3.503 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248867296 836663466 /nfs/dbraw/zinc/66/34/66/836663466.db2.gz IDICROURXRWAFH-RBUKOAKNSA-N 2 2 375.875 3.503 20 0 GHADLP C[N@@H+]1CCO[C@H]([C@H](NC2CC[NH+](C(C)(C)C)CC2)c2ccc(Cl)cc2)C1 ZINC000119426547 836866896 /nfs/dbraw/zinc/86/68/96/836866896.db2.gz SDXMONZWUGSGLH-VQTJNVASSA-N 2 2 379.976 3.564 20 0 GHADLP C[N@H+]1CCO[C@H]([C@H](NC2CC[NH+](C(C)(C)C)CC2)c2ccc(Cl)cc2)C1 ZINC000119426547 836866904 /nfs/dbraw/zinc/86/69/04/836866904.db2.gz SDXMONZWUGSGLH-VQTJNVASSA-N 2 2 379.976 3.564 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2ccc(OC(C)(C)C)cc2)([NH+]2CCCCC2)CC1 ZINC000176016531 837113618 /nfs/dbraw/zinc/11/36/18/837113618.db2.gz IMZDUPPBPZBBIL-UHFFFAOYSA-N 2 2 387.568 3.544 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842956 838262977 /nfs/dbraw/zinc/26/29/77/838262977.db2.gz GVJJGNNNFYNFNL-RRFJBIMHSA-N 2 2 386.367 3.833 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842956 838262984 /nfs/dbraw/zinc/26/29/84/838262984.db2.gz GVJJGNNNFYNFNL-RRFJBIMHSA-N 2 2 386.367 3.833 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842956 838262986 /nfs/dbraw/zinc/26/29/86/838262986.db2.gz GVJJGNNNFYNFNL-RRFJBIMHSA-N 2 2 386.367 3.833 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842956 838262996 /nfs/dbraw/zinc/26/29/96/838262996.db2.gz GVJJGNNNFYNFNL-RRFJBIMHSA-N 2 2 386.367 3.833 20 0 GHADLP CC[N@H+](CCCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000651220261 838276220 /nfs/dbraw/zinc/27/62/20/838276220.db2.gz YVDRNQPSTXQYRD-UYAOXDASSA-N 2 2 375.561 3.520 20 0 GHADLP CC[N@@H+](CCCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000651220261 838276230 /nfs/dbraw/zinc/27/62/30/838276230.db2.gz YVDRNQPSTXQYRD-UYAOXDASSA-N 2 2 375.561 3.520 20 0 GHADLP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000549906742 844317079 /nfs/dbraw/zinc/31/70/79/844317079.db2.gz ADRFPDWDQIJRJC-VGSWGCGISA-N 2 2 392.478 3.853 20 0 GHADLP O[C@H]1C[NH2+]CC[N@H+](Cc2ccc3c(c2)c2ccccc2n3Cc2ccccc2)C1 ZINC001210473132 838341075 /nfs/dbraw/zinc/34/10/75/838341075.db2.gz APJHLCLUJFHHSQ-NRFANRHFSA-N 2 2 385.511 3.609 20 0 GHADLP O[C@H]1C[NH2+]CC[N@@H+](Cc2ccc3c(c2)c2ccccc2n3Cc2ccccc2)C1 ZINC001210473132 838341076 /nfs/dbraw/zinc/34/10/76/838341076.db2.gz APJHLCLUJFHHSQ-NRFANRHFSA-N 2 2 385.511 3.609 20 0 GHADLP C[C@H](c1cccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000416151271 838638501 /nfs/dbraw/zinc/63/85/01/838638501.db2.gz PBORRNQEONUITI-GCJKJVERSA-N 2 2 381.520 3.711 20 0 GHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c2ccccc21 ZINC000580062752 838791040 /nfs/dbraw/zinc/79/10/40/838791040.db2.gz CJLUTJWRNSSJOB-ZACQAIPSSA-N 2 2 375.394 3.545 20 0 GHADLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)c3ccc4ccccc4c3)CC2)cc1 ZINC000181728945 838880666 /nfs/dbraw/zinc/88/06/66/838880666.db2.gz TYAMHCHMBRGIGN-VWLOTQADSA-N 2 2 385.511 3.999 20 0 GHADLP Cc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(F)c1 ZINC000549166049 839125768 /nfs/dbraw/zinc/12/57/68/839125768.db2.gz NIBAIUZPGQUDFR-NRFANRHFSA-N 2 2 383.511 3.963 20 0 GHADLP Cc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(F)c1 ZINC000549166049 839125773 /nfs/dbraw/zinc/12/57/73/839125773.db2.gz NIBAIUZPGQUDFR-NRFANRHFSA-N 2 2 383.511 3.963 20 0 GHADLP COc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc(Br)c1OC(F)F ZINC000415058189 839128384 /nfs/dbraw/zinc/12/83/84/839128384.db2.gz SYJPVJJYZPQOKR-LBPRGKRZSA-N 2 2 381.261 3.522 20 0 GHADLP COc1cccc(SCC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000659991458 839156506 /nfs/dbraw/zinc/15/65/06/839156506.db2.gz RGCURJMYPILSCM-UHFFFAOYSA-N 2 2 385.577 3.821 20 0 GHADLP COc1cccc(SCC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000659991458 839156511 /nfs/dbraw/zinc/15/65/11/839156511.db2.gz RGCURJMYPILSCM-UHFFFAOYSA-N 2 2 385.577 3.821 20 0 GHADLP COC[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccc(Cl)c1 ZINC000580564455 839817139 /nfs/dbraw/zinc/81/71/39/839817139.db2.gz BIVIFUCJBCAKSP-JOCHJYFZSA-N 2 2 387.955 3.565 20 0 GHADLP COC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccc(Cl)c1 ZINC000580564455 839817145 /nfs/dbraw/zinc/81/71/45/839817145.db2.gz BIVIFUCJBCAKSP-JOCHJYFZSA-N 2 2 387.955 3.565 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1oc2ccccc2c1Br ZINC000656254257 839840144 /nfs/dbraw/zinc/84/01/44/839840144.db2.gz DYTYQHFBBWSUAT-UKPHBRMFSA-N 2 2 393.325 3.879 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1oc2ccccc2c1Br ZINC000656254257 839840150 /nfs/dbraw/zinc/84/01/50/839840150.db2.gz DYTYQHFBBWSUAT-UKPHBRMFSA-N 2 2 393.325 3.879 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[NH+]3CCc4ccccc4CC3)CC2)cc1 ZINC001167420997 839859230 /nfs/dbraw/zinc/85/92/30/839859230.db2.gz NKICERIHNUMMFX-UHFFFAOYSA-N 2 2 383.967 3.953 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@@H](O)COc1ccc(-c3ccccc3)cc1)CCC2 ZINC000580642428 839949427 /nfs/dbraw/zinc/94/94/27/839949427.db2.gz WBKOUIRJOVFJMG-FCHUYYIVSA-N 2 2 391.515 3.765 20 0 GHADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000563092780 844535312 /nfs/dbraw/zinc/53/53/12/844535312.db2.gz MUTMVSJHYMNBLO-ROUUACIJSA-N 2 2 391.519 3.523 20 0 GHADLP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660466776 840598787 /nfs/dbraw/zinc/59/87/87/840598787.db2.gz BZRQRGACHKIMMO-OAQYLSRUSA-N 2 2 390.531 3.688 20 0 GHADLP c1ccc(-c2nc3ccccn3c2C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660466776 840598793 /nfs/dbraw/zinc/59/87/93/840598793.db2.gz BZRQRGACHKIMMO-OAQYLSRUSA-N 2 2 390.531 3.688 20 0 GHADLP O=C1Nc2ccccc2S[C@H]1CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478492 840628455 /nfs/dbraw/zinc/62/84/55/840628455.db2.gz CEBKNANEDOIRKS-JXFKEZNVSA-N 2 2 396.560 3.902 20 0 GHADLP O=C1Nc2ccccc2S[C@H]1CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478492 840628463 /nfs/dbraw/zinc/62/84/63/840628463.db2.gz CEBKNANEDOIRKS-JXFKEZNVSA-N 2 2 396.560 3.902 20 0 GHADLP OC1CC[NH+](CCC[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000156100030 840990219 /nfs/dbraw/zinc/99/02/19/840990219.db2.gz QRQORAGWJMKFBK-UHFFFAOYSA-N 2 2 384.364 3.661 20 0 GHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000510378728 841024420 /nfs/dbraw/zinc/02/44/20/841024420.db2.gz PIFLNZSKFBASIN-UHFFFAOYSA-N 2 2 388.471 3.669 20 0 GHADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000581303267 841045365 /nfs/dbraw/zinc/04/53/65/841045365.db2.gz NTASGEGIWRTPKJ-AWEZNQCLSA-N 2 2 386.367 3.650 20 0 GHADLP CN(C(=O)[C@@H]1CCc2ccccc2C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000584843673 841055572 /nfs/dbraw/zinc/05/55/72/841055572.db2.gz SCBLKHWJKJGBNW-JRFVFWCSSA-N 2 2 397.607 3.587 20 0 GHADLP CN(C(=O)[C@@H]1CCc2ccccc2C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000584843673 841055583 /nfs/dbraw/zinc/05/55/83/841055583.db2.gz SCBLKHWJKJGBNW-JRFVFWCSSA-N 2 2 397.607 3.587 20 0 GHADLP COc1ncc(Br)cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660255295 841081960 /nfs/dbraw/zinc/08/19/60/841081960.db2.gz AJTJEHVFLWIZEJ-UONOGXRCSA-N 2 2 382.346 3.595 20 0 GHADLP COc1ncc(Br)cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660255295 841081971 /nfs/dbraw/zinc/08/19/71/841081971.db2.gz AJTJEHVFLWIZEJ-UONOGXRCSA-N 2 2 382.346 3.595 20 0 GHADLP Nc1cccc(C[NH+]2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)c1 ZINC000660768248 841171850 /nfs/dbraw/zinc/17/18/50/841171850.db2.gz VTGDWLCSXQFWCQ-UHFFFAOYSA-N 2 2 384.955 3.709 20 0 GHADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000430579718 841230084 /nfs/dbraw/zinc/23/00/84/841230084.db2.gz CSLQEACBGSZQDI-AWEZNQCLSA-N 2 2 385.352 3.626 20 0 GHADLP C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001167458007 841253728 /nfs/dbraw/zinc/25/37/28/841253728.db2.gz OMRKRICQVNGYCJ-OAQYLSRUSA-N 2 2 378.564 3.946 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(CCC[NH3+])CC2CCCC2)c(C)c1 ZINC000417932084 841285601 /nfs/dbraw/zinc/28/56/01/841285601.db2.gz MDPHNFIPUCHMSJ-JOCHJYFZSA-N 2 2 397.567 3.792 20 0 GHADLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(-c2ccccc2)cn1 ZINC000651679030 841316157 /nfs/dbraw/zinc/31/61/57/841316157.db2.gz MNENCWJSPLDMSQ-IBGZPJMESA-N 2 2 387.531 3.746 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000066890707 841930933 /nfs/dbraw/zinc/93/09/33/841930933.db2.gz YTNJVWFBZPLOHG-UHFFFAOYSA-N 2 2 391.519 3.714 20 0 GHADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCn2c(COc3cccnc3)cnc2[C@H]1C ZINC001167828532 842114006 /nfs/dbraw/zinc/11/40/06/842114006.db2.gz ZFSIDDIRBKQIFX-RTBURBONSA-N 2 2 385.556 3.744 20 0 GHADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCn2c(COc3cccnc3)cnc2[C@H]1C ZINC001167828532 842114012 /nfs/dbraw/zinc/11/40/12/842114012.db2.gz ZFSIDDIRBKQIFX-RTBURBONSA-N 2 2 385.556 3.744 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](c3cccc(Cl)c3)OCC2(C)C)CC1 ZINC000661736895 842117061 /nfs/dbraw/zinc/11/70/61/842117061.db2.gz QSKGTVYOQLNNMT-OAQYLSRUSA-N 2 2 394.003 3.908 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](c3cccc(Cl)c3)OCC2(C)C)CC1 ZINC000661736895 842117064 /nfs/dbraw/zinc/11/70/64/842117064.db2.gz QSKGTVYOQLNNMT-OAQYLSRUSA-N 2 2 394.003 3.908 20 0 GHADLP CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001167833718 842207756 /nfs/dbraw/zinc/20/77/56/842207756.db2.gz DIRGRRAADYYRHE-UTKZUKDTSA-N 2 2 376.541 3.668 20 0 GHADLP CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001167833718 842207757 /nfs/dbraw/zinc/20/77/57/842207757.db2.gz DIRGRRAADYYRHE-UTKZUKDTSA-N 2 2 376.541 3.668 20 0 GHADLP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661853088 842237036 /nfs/dbraw/zinc/23/70/36/842237036.db2.gz BHDBWGYLGAKKDA-RTBURBONSA-N 2 2 399.583 3.515 20 0 GHADLP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000661853088 842237045 /nfs/dbraw/zinc/23/70/45/842237045.db2.gz BHDBWGYLGAKKDA-RTBURBONSA-N 2 2 399.583 3.515 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cscc2Br)[C@@H](C)C1 ZINC000512050292 842337108 /nfs/dbraw/zinc/33/71/08/842337108.db2.gz CFNOAQGYTVLEDN-BBRMVZONSA-N 2 2 375.376 3.737 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cscc2Br)[C@@H](C)C1 ZINC000512050292 842337121 /nfs/dbraw/zinc/33/71/21/842337121.db2.gz CFNOAQGYTVLEDN-BBRMVZONSA-N 2 2 375.376 3.737 20 0 GHADLP FC(F)(F)Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000647192987 842499947 /nfs/dbraw/zinc/49/99/47/842499947.db2.gz GZTGYSSXRHUGMG-GOSISDBHSA-N 2 2 378.442 3.732 20 0 GHADLP FC(F)(F)Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000647192987 842499954 /nfs/dbraw/zinc/49/99/54/842499954.db2.gz GZTGYSSXRHUGMG-GOSISDBHSA-N 2 2 378.442 3.732 20 0 GHADLP C[NH+](C)Cc1cnc(CNC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)s1 ZINC000511944604 842514556 /nfs/dbraw/zinc/51/45/56/842514556.db2.gz YFZARMCABLYYTB-MRXNPFEDSA-N 2 2 386.487 3.616 20 0 GHADLP [NH3+]Cc1ccc(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c(F)c1 ZINC000652599419 842825797 /nfs/dbraw/zinc/82/57/97/842825797.db2.gz CZTWGIOLHHFUQI-UHFFFAOYSA-N 2 2 393.466 3.806 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(F)ccc1F ZINC000471846939 842827341 /nfs/dbraw/zinc/82/73/41/842827341.db2.gz RZCOHPLHRKDQIW-UWJYYQICSA-N 2 2 387.474 3.575 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(F)ccc1F ZINC000471846939 842827350 /nfs/dbraw/zinc/82/73/50/842827350.db2.gz RZCOHPLHRKDQIW-UWJYYQICSA-N 2 2 387.474 3.575 20 0 GHADLP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000188339494 842897909 /nfs/dbraw/zinc/89/79/09/842897909.db2.gz DOBQJHRMMHIALO-UHFFFAOYSA-N 2 2 397.567 3.775 20 0 GHADLP c1csc(-c2cnc(C[NH+]3CCC(c4cc(C5CC[NH2+]CC5)n[nH]4)CC3)o2)c1 ZINC000662327121 843142177 /nfs/dbraw/zinc/14/21/77/843142177.db2.gz JUFSZOBRRORNLZ-UHFFFAOYSA-N 2 2 397.548 3.973 20 0 GHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512256860 843244766 /nfs/dbraw/zinc/24/47/66/843244766.db2.gz CIGNIMBEMJKHIT-GECPAALWSA-N 2 2 383.580 3.762 20 0 GHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512256860 843244777 /nfs/dbraw/zinc/24/47/77/843244777.db2.gz CIGNIMBEMJKHIT-GECPAALWSA-N 2 2 383.580 3.762 20 0 GHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512256860 843244788 /nfs/dbraw/zinc/24/47/88/843244788.db2.gz CIGNIMBEMJKHIT-GECPAALWSA-N 2 2 383.580 3.762 20 0 GHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512256860 843244804 /nfs/dbraw/zinc/24/48/04/843244804.db2.gz CIGNIMBEMJKHIT-GECPAALWSA-N 2 2 383.580 3.762 20 0 GHADLP O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512284828 843318972 /nfs/dbraw/zinc/31/89/72/843318972.db2.gz DSPZQZIODVBQBZ-VWNXMTODSA-N 2 2 375.516 3.538 20 0 GHADLP O=C1Nc2ccccc2CC[C@H]1[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512284828 843318985 /nfs/dbraw/zinc/31/89/85/843318985.db2.gz DSPZQZIODVBQBZ-VWNXMTODSA-N 2 2 375.516 3.538 20 0 GHADLP O=C1Nc2ccccc2CC[C@H]1[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512284828 843318996 /nfs/dbraw/zinc/31/89/96/843318996.db2.gz DSPZQZIODVBQBZ-VWNXMTODSA-N 2 2 375.516 3.538 20 0 GHADLP O=C1Nc2ccccc2CC[C@H]1[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512284828 843319008 /nfs/dbraw/zinc/31/90/08/843319008.db2.gz DSPZQZIODVBQBZ-VWNXMTODSA-N 2 2 375.516 3.538 20 0 GHADLP Clc1cccc(N2CC[NH+](CCC[NH2+]CC3=Cc4ccccc4OC3)CC2)c1 ZINC000500463209 843494089 /nfs/dbraw/zinc/49/40/89/843494089.db2.gz PFBTTYNXZUZAPY-UHFFFAOYSA-N 2 2 397.950 3.918 20 0 GHADLP CN(C(=O)c1ccc(C(F)F)o1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000626262039 843556084 /nfs/dbraw/zinc/55/60/84/843556084.db2.gz SUEGFCBGKPQYEP-HOTGVXAUSA-N 2 2 383.483 3.626 20 0 GHADLP CN(C(=O)c1ccc(C(F)F)o1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000626262039 843556089 /nfs/dbraw/zinc/55/60/89/843556089.db2.gz SUEGFCBGKPQYEP-HOTGVXAUSA-N 2 2 383.483 3.626 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253808 843754308 /nfs/dbraw/zinc/75/43/08/843754308.db2.gz CQPBFYCZZGVFOP-INIZCTEOSA-N 2 2 399.373 3.638 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253808 843754318 /nfs/dbraw/zinc/75/43/18/843754318.db2.gz CQPBFYCZZGVFOP-INIZCTEOSA-N 2 2 399.373 3.638 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000092253808 843754326 /nfs/dbraw/zinc/75/43/26/843754326.db2.gz CQPBFYCZZGVFOP-INIZCTEOSA-N 2 2 399.373 3.638 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253808 843754331 /nfs/dbraw/zinc/75/43/31/843754331.db2.gz CQPBFYCZZGVFOP-INIZCTEOSA-N 2 2 399.373 3.638 20 0 GHADLP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282433857 861455327 /nfs/dbraw/zinc/45/53/27/861455327.db2.gz UOUXSYWJXXAGMA-NRFANRHFSA-N 2 2 392.547 3.835 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000276930521 843804957 /nfs/dbraw/zinc/80/49/57/843804957.db2.gz AAGCFCZPNSMQQR-UHFFFAOYSA-N 2 2 399.583 3.909 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000432790308 843843048 /nfs/dbraw/zinc/84/30/48/843843048.db2.gz BWRZULSFNNAHJN-QGZVFWFLSA-N 2 2 377.330 3.551 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000432790308 843843060 /nfs/dbraw/zinc/84/30/60/843843060.db2.gz BWRZULSFNNAHJN-QGZVFWFLSA-N 2 2 377.330 3.551 20 0 GHADLP COc1ccccc1-n1nccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000430005112 845106882 /nfs/dbraw/zinc/10/68/82/845106882.db2.gz KZHGDPVVTSOJDA-UHFFFAOYSA-N 2 2 376.504 3.635 20 0 GHADLP C[C@@H]1CCc2c(sc3nc(CC[NH+]4CCC5(CCC[N@@H+]5C)CC4)nc(N)c23)C1 ZINC000411438973 845456547 /nfs/dbraw/zinc/45/65/47/845456547.db2.gz DGERWEBREQERFB-OAHLLOKOSA-N 2 2 399.608 3.501 20 0 GHADLP C[C@@H]1CCc2c(sc3nc(CC[NH+]4CCC5(CCC[N@H+]5C)CC4)nc(N)c23)C1 ZINC000411438973 845456550 /nfs/dbraw/zinc/45/65/50/845456550.db2.gz DGERWEBREQERFB-OAHLLOKOSA-N 2 2 399.608 3.501 20 0 GHADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)ccc3OC3CCCC3)C2)CC1 ZINC000093133117 845486214 /nfs/dbraw/zinc/48/62/14/845486214.db2.gz XJLPQEZGNVGRHE-FQEVSTJZSA-N 2 2 391.987 3.873 20 0 GHADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3OC3CCCC3)C2)CC1 ZINC000093133117 845486219 /nfs/dbraw/zinc/48/62/19/845486219.db2.gz XJLPQEZGNVGRHE-FQEVSTJZSA-N 2 2 391.987 3.873 20 0 GHADLP CCn1nc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000472048579 845587485 /nfs/dbraw/zinc/58/74/85/845587485.db2.gz RFOICFVLTCMJIT-OALUTQOASA-N 2 2 392.547 3.955 20 0 GHADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000421820504 846601184 /nfs/dbraw/zinc/60/11/84/846601184.db2.gz MPDSNDSQSRFGSA-QGZVFWFLSA-N 2 2 387.955 3.947 20 0 GHADLP C[C@@H](C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1cccc(Br)c1 ZINC000093148099 846614266 /nfs/dbraw/zinc/61/42/66/846614266.db2.gz XZCGXDYWRPSSKI-FXAWDEMLSA-N 2 2 394.401 3.655 20 0 GHADLP C[C@@H](C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1cccc(Br)c1 ZINC000093148099 846614271 /nfs/dbraw/zinc/61/42/71/846614271.db2.gz XZCGXDYWRPSSKI-FXAWDEMLSA-N 2 2 394.401 3.655 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3csc4c3CC[C@@H](C)C4)CC2)CC1 ZINC000422004299 846742618 /nfs/dbraw/zinc/74/26/18/846742618.db2.gz FZLVMZLZHNLQMS-QGZVFWFLSA-N 2 2 389.609 3.505 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3csc4c3CC[C@@H](C)C4)CC2)CC1 ZINC000422004299 846742619 /nfs/dbraw/zinc/74/26/19/846742619.db2.gz FZLVMZLZHNLQMS-QGZVFWFLSA-N 2 2 389.609 3.505 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@H]3CCCc4ccccc43)CC2)CC1 ZINC000422027702 846758609 /nfs/dbraw/zinc/75/86/09/846758609.db2.gz WPYYPVTUNIHOAT-OAQYLSRUSA-N 2 2 383.580 3.515 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@H]3CCCc4ccccc43)CC2)CC1 ZINC000422027702 846758616 /nfs/dbraw/zinc/75/86/16/846758616.db2.gz WPYYPVTUNIHOAT-OAQYLSRUSA-N 2 2 383.580 3.515 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3cc(Cl)ccc3Cl)CC2)CC1 ZINC000422029367 846759891 /nfs/dbraw/zinc/75/98/91/846759891.db2.gz ZLUXQDCWELHCMR-UHFFFAOYSA-N 2 2 398.378 3.555 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3cc(Cl)ccc3Cl)CC2)CC1 ZINC000422029367 846759898 /nfs/dbraw/zinc/75/98/98/846759898.db2.gz ZLUXQDCWELHCMR-UHFFFAOYSA-N 2 2 398.378 3.555 20 0 GHADLP Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000503052838 846768497 /nfs/dbraw/zinc/76/84/97/846768497.db2.gz MZEJJVFRNMQPBX-UHFFFAOYSA-N 2 2 392.463 3.727 20 0 GHADLP Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000503052838 846768498 /nfs/dbraw/zinc/76/84/98/846768498.db2.gz MZEJJVFRNMQPBX-UHFFFAOYSA-N 2 2 392.463 3.727 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000582301974 846812140 /nfs/dbraw/zinc/81/21/40/846812140.db2.gz LQXSEOIYJQTCTR-LZNRXBQRSA-N 2 2 381.520 3.743 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000582301974 846812144 /nfs/dbraw/zinc/81/21/44/846812144.db2.gz LQXSEOIYJQTCTR-LZNRXBQRSA-N 2 2 381.520 3.743 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](c3ccccc3)C3CCC3)CC2)CC1 ZINC000422152675 846857547 /nfs/dbraw/zinc/85/75/47/846857547.db2.gz AJCMGBBUOJWZHH-QHCPKHFHSA-N 2 2 398.595 3.729 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](c3ccccc3)C3CCC3)CC2)CC1 ZINC000422152675 846857550 /nfs/dbraw/zinc/85/75/50/846857550.db2.gz AJCMGBBUOJWZHH-QHCPKHFHSA-N 2 2 398.595 3.729 20 0 GHADLP Cc1cc(CNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc(C)[nH+]1 ZINC000422190414 846894499 /nfs/dbraw/zinc/89/44/99/846894499.db2.gz WLRPVBNLSWGOCI-GOSISDBHSA-N 2 2 394.441 3.819 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CC(C)(C)c4ccccc43)CC2)CC1 ZINC000422182244 846898054 /nfs/dbraw/zinc/89/80/54/846898054.db2.gz GZYACRDKBQXZNQ-JOCHJYFZSA-N 2 2 398.595 3.611 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CC(C)(C)c4ccccc43)CC2)CC1 ZINC000422182244 846898060 /nfs/dbraw/zinc/89/80/60/846898060.db2.gz GZYACRDKBQXZNQ-JOCHJYFZSA-N 2 2 398.595 3.611 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)N(C)CC[N@H+](C)C3CCCCC3)cn2c1 ZINC000501433529 846926572 /nfs/dbraw/zinc/92/65/72/846926572.db2.gz HCKREJSLYJFAIA-UHFFFAOYSA-N 2 2 388.581 3.599 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)N(C)CC[N@@H+](C)C3CCCCC3)cn2c1 ZINC000501433529 846926584 /nfs/dbraw/zinc/92/65/84/846926584.db2.gz HCKREJSLYJFAIA-UHFFFAOYSA-N 2 2 388.581 3.599 20 0 GHADLP COC[C@@H](C)Oc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000657401291 846945599 /nfs/dbraw/zinc/94/55/99/846945599.db2.gz AEOCICGLHZOMAN-GOSISDBHSA-N 2 2 398.551 3.638 20 0 GHADLP Cc1cscc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000272056975 846980932 /nfs/dbraw/zinc/98/09/32/846980932.db2.gz RKTQQQJYTMXOFK-RBUKOAKNSA-N 2 2 378.586 3.857 20 0 GHADLP Cc1cscc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000272056975 846980937 /nfs/dbraw/zinc/98/09/37/846980937.db2.gz RKTQQQJYTMXOFK-RBUKOAKNSA-N 2 2 378.586 3.857 20 0 GHADLP Cc1cc(CNC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(C)[nH+]1 ZINC000422193628 847035759 /nfs/dbraw/zinc/03/57/59/847035759.db2.gz SCKIBZNFWXUNTC-YPGOJHLTSA-N 2 2 380.536 3.654 20 0 GHADLP Cc1cc(CNC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C)[nH+]1 ZINC000422193628 847035767 /nfs/dbraw/zinc/03/57/67/847035767.db2.gz SCKIBZNFWXUNTC-YPGOJHLTSA-N 2 2 380.536 3.654 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cc(C(F)(F)F)nn2C)c(C)c1 ZINC000657414361 847082932 /nfs/dbraw/zinc/08/29/32/847082932.db2.gz MPIVCSGMSPBXGI-QGZVFWFLSA-N 2 2 377.414 3.783 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)cc1OC ZINC000420409158 847173139 /nfs/dbraw/zinc/17/31/39/847173139.db2.gz WQLQTCSDHIPFLY-SJLPKXTDSA-N 2 2 387.549 3.791 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)cc1OC ZINC000420409158 847173145 /nfs/dbraw/zinc/17/31/45/847173145.db2.gz WQLQTCSDHIPFLY-SJLPKXTDSA-N 2 2 387.549 3.791 20 0 GHADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000582420198 847203226 /nfs/dbraw/zinc/20/32/26/847203226.db2.gz GBGUNHQUMNLKIU-UHFFFAOYSA-N 2 2 391.357 3.942 20 0 GHADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000582420198 847203233 /nfs/dbraw/zinc/20/32/33/847203233.db2.gz GBGUNHQUMNLKIU-UHFFFAOYSA-N 2 2 391.357 3.942 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3csc(-c4ccccc4)n3)CC2)CC1 ZINC000421014331 847612007 /nfs/dbraw/zinc/61/20/07/847612007.db2.gz SCGREGYWZCKPCL-UHFFFAOYSA-N 2 2 384.593 3.802 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3csc(-c4ccccc4)n3)CC2)CC1 ZINC000421014331 847612013 /nfs/dbraw/zinc/61/20/13/847612013.db2.gz SCGREGYWZCKPCL-UHFFFAOYSA-N 2 2 384.593 3.802 20 0 GHADLP CC(C)N(C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000503372038 847635069 /nfs/dbraw/zinc/63/50/69/847635069.db2.gz GTJBTSMZXUNIFR-IBGZPJMESA-N 2 2 380.536 3.840 20 0 GHADLP CC(C)N(C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000503372038 847635073 /nfs/dbraw/zinc/63/50/73/847635073.db2.gz GTJBTSMZXUNIFR-IBGZPJMESA-N 2 2 380.536 3.840 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503389317 847647761 /nfs/dbraw/zinc/64/77/61/847647761.db2.gz GLECZSSJACJRDD-PKOBYXMFSA-N 2 2 398.526 3.758 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503389317 847647766 /nfs/dbraw/zinc/64/77/66/847647766.db2.gz GLECZSSJACJRDD-PKOBYXMFSA-N 2 2 398.526 3.758 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc4ccccc43)CC2)CC1 ZINC000421037818 847651802 /nfs/dbraw/zinc/65/18/02/847651802.db2.gz QIAIUICSBINEFU-UHFFFAOYSA-N 2 2 380.536 3.864 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc4ccccc43)CC2)CC1 ZINC000421037818 847651810 /nfs/dbraw/zinc/65/18/10/847651810.db2.gz QIAIUICSBINEFU-UHFFFAOYSA-N 2 2 380.536 3.864 20 0 GHADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N(Cc1ccccc1)C1CC1 ZINC000503380579 847655619 /nfs/dbraw/zinc/65/56/19/847655619.db2.gz XHGGPVOQTJWYOL-HXUWFJFHSA-N 2 2 392.547 3.590 20 0 GHADLP O=C(C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N(Cc1ccccc1)C1CC1 ZINC000503380579 847655623 /nfs/dbraw/zinc/65/56/23/847655623.db2.gz XHGGPVOQTJWYOL-HXUWFJFHSA-N 2 2 392.547 3.590 20 0 GHADLP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503404531 847668296 /nfs/dbraw/zinc/66/82/96/847668296.db2.gz GYJJDYFOABTBAY-AZUAARDMSA-N 2 2 392.547 3.767 20 0 GHADLP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503404531 847668301 /nfs/dbraw/zinc/66/83/01/847668301.db2.gz GYJJDYFOABTBAY-AZUAARDMSA-N 2 2 392.547 3.767 20 0 GHADLP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000481597318 861818786 /nfs/dbraw/zinc/81/87/86/861818786.db2.gz MEFDTDWEGZIYMX-APWZRJJASA-N 2 2 395.950 3.997 20 0 GHADLP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000481597318 861818798 /nfs/dbraw/zinc/81/87/98/861818798.db2.gz MEFDTDWEGZIYMX-APWZRJJASA-N 2 2 395.950 3.997 20 0 GHADLP O=C1[C@H]([N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCN1c1cccc(F)c1 ZINC000503441941 847707870 /nfs/dbraw/zinc/70/78/70/847707870.db2.gz PGORQKCDMUTVRY-DYESRHJHSA-N 2 2 396.510 3.734 20 0 GHADLP O=C1[C@H]([N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCN1c1cccc(F)c1 ZINC000503441941 847707875 /nfs/dbraw/zinc/70/78/75/847707875.db2.gz PGORQKCDMUTVRY-DYESRHJHSA-N 2 2 396.510 3.734 20 0 GHADLP CC(C)(CC[NH3+])NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000422598100 847714749 /nfs/dbraw/zinc/71/47/49/847714749.db2.gz MMMKADCSMFPCPB-UHFFFAOYSA-N 2 2 391.519 3.525 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000513790544 847745763 /nfs/dbraw/zinc/74/57/63/847745763.db2.gz ZJQHWQFWVVDDSC-SFTDATJTSA-N 2 2 399.579 3.745 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000513790544 847745764 /nfs/dbraw/zinc/74/57/64/847745764.db2.gz ZJQHWQFWVVDDSC-SFTDATJTSA-N 2 2 399.579 3.745 20 0 GHADLP COc1cc2c(c(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c1)O[C@H](C)C2 ZINC000502344950 847779964 /nfs/dbraw/zinc/77/99/64/847779964.db2.gz JJZRRZZNSCEBMM-IAGOWNOFSA-N 2 2 381.520 3.931 20 0 GHADLP CCOC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502347266 847782770 /nfs/dbraw/zinc/78/27/70/847782770.db2.gz UNZHSVPKEJPUQH-LJQANCHMSA-N 2 2 397.519 3.541 20 0 GHADLP CCOC(=O)COc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502347266 847782777 /nfs/dbraw/zinc/78/27/77/847782777.db2.gz UNZHSVPKEJPUQH-LJQANCHMSA-N 2 2 397.519 3.541 20 0 GHADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422733409 847788200 /nfs/dbraw/zinc/78/82/00/847788200.db2.gz QXYUMTUJSZMFAT-ZLGUVYLKSA-N 2 2 391.481 3.828 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000422734352 847789012 /nfs/dbraw/zinc/78/90/12/847789012.db2.gz COUIVMHVKFBOMS-RKCSVJPLSA-N 2 2 385.371 3.589 20 0 GHADLP COc1ccc([C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422814828 847836950 /nfs/dbraw/zinc/83/69/50/847836950.db2.gz AGVQMPFHFCPFRL-PKTZIBPZSA-N 2 2 376.504 3.506 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cnn(C2CCCC2)c1 ZINC000502402751 847844133 /nfs/dbraw/zinc/84/41/33/847844133.db2.gz NJDGTAUTBXCPQU-AVCGJXAMSA-N 2 2 382.552 3.532 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cnn(C2CCCC2)c1 ZINC000502402751 847844144 /nfs/dbraw/zinc/84/41/44/847844144.db2.gz NJDGTAUTBXCPQU-AVCGJXAMSA-N 2 2 382.552 3.532 20 0 GHADLP C[C@@H](c1cccc(NCc2cccc(C[NH+]3CCOCC3)c2)c1)[NH+]1CCOCC1 ZINC000421208928 847850354 /nfs/dbraw/zinc/85/03/54/847850354.db2.gz RXKNKVJLIFAZIU-FQEVSTJZSA-N 2 2 395.547 3.524 20 0 GHADLP COc1cc(C)c(C[C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1OC ZINC000502433910 847900189 /nfs/dbraw/zinc/90/01/89/847900189.db2.gz JVYWEJORKLNABQ-PXNSSMCTSA-N 2 2 398.551 3.591 20 0 GHADLP COc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc(Br)c1OC ZINC000422947179 847909697 /nfs/dbraw/zinc/90/96/97/847909697.db2.gz PYMMXHFCTQMWMQ-HZPDHXFCSA-N 2 2 377.282 3.701 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000192253242 861873146 /nfs/dbraw/zinc/87/31/46/861873146.db2.gz ROMKVRNMQRJIBT-NRFANRHFSA-N 2 2 382.552 3.596 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000192253242 861873162 /nfs/dbraw/zinc/87/31/62/861873162.db2.gz ROMKVRNMQRJIBT-NRFANRHFSA-N 2 2 382.552 3.596 20 0 GHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000162133265 848830690 /nfs/dbraw/zinc/83/06/90/848830690.db2.gz IRTZZRKVSFUQCY-GOSISDBHSA-N 2 2 386.561 3.714 20 0 GHADLP CC(C)c1ccc(C(C)(C)NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604193720 861959313 /nfs/dbraw/zinc/95/93/13/861959313.db2.gz LJQUHYMEKNHGSP-HXUWFJFHSA-N 2 2 386.584 3.513 20 0 GHADLP CC(C)c1ccc(C(C)(C)NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604193720 861959317 /nfs/dbraw/zinc/95/93/17/861959317.db2.gz LJQUHYMEKNHGSP-HXUWFJFHSA-N 2 2 386.584 3.513 20 0 GHADLP C[C@@H]([NH2+]CCNc1ccc(-c2ccccc2)nn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481668182 861973963 /nfs/dbraw/zinc/97/39/63/861973963.db2.gz KKBOJBUAHGJDHH-GOSISDBHSA-N 2 2 384.487 3.514 20 0 GHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000583114384 849095412 /nfs/dbraw/zinc/09/54/12/849095412.db2.gz JJQLQCPBLYBMDS-QFIPXVFZSA-N 2 2 394.563 3.589 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1nccc2ccccc21 ZINC000583232840 849392219 /nfs/dbraw/zinc/39/22/19/849392219.db2.gz FYCRJOZJBWAZBZ-QTGUNEKASA-N 2 2 375.516 3.768 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1nccc2ccccc21 ZINC000583232840 849392228 /nfs/dbraw/zinc/39/22/28/849392228.db2.gz FYCRJOZJBWAZBZ-QTGUNEKASA-N 2 2 375.516 3.768 20 0 GHADLP CC[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C(=O)OC)cc1 ZINC000583312742 849608540 /nfs/dbraw/zinc/60/85/40/849608540.db2.gz LQFKKZBEKPYGNC-VQTJNVASSA-N 2 2 382.508 3.572 20 0 GHADLP [NH3+]C[C@@H](NC1CC[NH+](Cc2ccccc2Br)CC1)C1CCCCC1 ZINC000414854765 849788045 /nfs/dbraw/zinc/78/80/45/849788045.db2.gz VKPBBRWGWGRUNV-HXUWFJFHSA-N 2 2 394.401 3.911 20 0 GHADLP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425203741 849798640 /nfs/dbraw/zinc/79/86/40/849798640.db2.gz FTAGWCCRAZONEJ-HXUWFJFHSA-N 2 2 394.494 3.661 20 0 GHADLP CC(C)(CO)[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cccs1 ZINC000583410031 849817805 /nfs/dbraw/zinc/81/78/05/849817805.db2.gz PQHGDHPPJWDQQH-NRFANRHFSA-N 2 2 387.593 3.610 20 0 GHADLP COc1cc2[nH+]ccc(N3CC[C@H](c4[nH+]ccn4C)C3)c2cc1Br ZINC000425244122 849896613 /nfs/dbraw/zinc/89/66/13/849896613.db2.gz GYYXPSGFSBJOPU-LBPRGKRZSA-N 2 2 387.281 3.733 20 0 GHADLP COC[C@]1(C[NH2+][C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)CCC[NH2+]1 ZINC000423445673 849920309 /nfs/dbraw/zinc/92/03/09/849920309.db2.gz YMSARWZBZJOUCY-VBKZILBWSA-N 2 2 375.538 3.546 20 0 GHADLP C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000425252913 849940569 /nfs/dbraw/zinc/94/05/69/849940569.db2.gz IEUZXNJYALNPFB-WEYGHZABSA-N 2 2 376.504 3.739 20 0 GHADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000434984047 849971824 /nfs/dbraw/zinc/97/18/24/849971824.db2.gz YIVBJAPQBXDXSH-QFIPXVFZSA-N 2 2 388.515 3.689 20 0 GHADLP CN(C(=O)c1cc[nH]c1C1CCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486827012 850147327 /nfs/dbraw/zinc/14/73/27/850147327.db2.gz XLQWTDDWOANVMR-LEWJYISDSA-N 2 2 386.584 3.691 20 0 GHADLP CN(C(=O)c1cc[nH]c1C1CCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486827012 850147337 /nfs/dbraw/zinc/14/73/37/850147337.db2.gz XLQWTDDWOANVMR-LEWJYISDSA-N 2 2 386.584 3.691 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OCc1ccc(F)cc1 ZINC000430138748 850163742 /nfs/dbraw/zinc/16/37/42/850163742.db2.gz OBYNZTNHQDGAEX-QHCPKHFHSA-N 2 2 384.495 3.941 20 0 GHADLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OCc1ccc(F)cc1 ZINC000430138748 850163747 /nfs/dbraw/zinc/16/37/47/850163747.db2.gz OBYNZTNHQDGAEX-QHCPKHFHSA-N 2 2 384.495 3.941 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1OCc1ccc(F)cc1 ZINC000430138748 850163752 /nfs/dbraw/zinc/16/37/52/850163752.db2.gz OBYNZTNHQDGAEX-QHCPKHFHSA-N 2 2 384.495 3.941 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1OCc1ccc(F)cc1 ZINC000430138748 850163755 /nfs/dbraw/zinc/16/37/55/850163755.db2.gz OBYNZTNHQDGAEX-QHCPKHFHSA-N 2 2 384.495 3.941 20 0 GHADLP O=C(NCCCCC[NH+]1CCCC1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000458851120 850184661 /nfs/dbraw/zinc/18/46/61/850184661.db2.gz MLDATGHICJLOKD-FGZHOGPDSA-N 2 2 395.551 3.677 20 0 GHADLP C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000297428807 850201211 /nfs/dbraw/zinc/20/12/11/850201211.db2.gz ZMLONQTWYSWAJS-DNVFCKCGSA-N 2 2 398.595 3.521 20 0 GHADLP O=C(NCCCCC[NH+]1CCCCC1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000518938582 850362439 /nfs/dbraw/zinc/36/24/39/850362439.db2.gz USBCASCMQSWDBC-OAQYLSRUSA-N 2 2 389.609 3.549 20 0 GHADLP CC(C)C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000424325748 850363614 /nfs/dbraw/zinc/36/36/14/850363614.db2.gz MTMHUPHDKUQIJU-ZVDOUQERSA-N 2 2 389.584 3.886 20 0 GHADLP CC(C)C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000424325748 850363623 /nfs/dbraw/zinc/36/36/23/850363623.db2.gz MTMHUPHDKUQIJU-ZVDOUQERSA-N 2 2 389.584 3.886 20 0 GHADLP CC[NH2+]CC1CC[NH+](Cc2csc(N(C(C)=O)c3ccc(F)cc3)n2)CC1 ZINC000435370345 850437084 /nfs/dbraw/zinc/43/70/84/850437084.db2.gz IJHPNQKOKCOUFT-UHFFFAOYSA-N 2 2 390.528 3.788 20 0 GHADLP C[N@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435378271 850442395 /nfs/dbraw/zinc/44/23/95/850442395.db2.gz HUNCMGUYYKRCPT-DFNIBXOVSA-N 2 2 378.442 3.665 20 0 GHADLP C[N@@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435378271 850442402 /nfs/dbraw/zinc/44/24/02/850442402.db2.gz HUNCMGUYYKRCPT-DFNIBXOVSA-N 2 2 378.442 3.665 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OC(F)F)c(Br)c2)CC[N@@H+]1C ZINC000180424225 862133771 /nfs/dbraw/zinc/13/37/71/862133771.db2.gz YPWIETHUNVZJOE-AAEUAGOBSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OC(F)F)c(Br)c2)CC[N@H+]1C ZINC000180424225 862133783 /nfs/dbraw/zinc/13/37/83/862133783.db2.gz YPWIETHUNVZJOE-AAEUAGOBSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OC(F)F)c(Br)c2)CC[NH+]1C ZINC000180424225 862133790 /nfs/dbraw/zinc/13/37/90/862133790.db2.gz YPWIETHUNVZJOE-AAEUAGOBSA-N 2 2 377.273 3.965 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC(F)F)c(Br)c2)CC[NH+]1C ZINC000180424225 862133804 /nfs/dbraw/zinc/13/38/04/862133804.db2.gz YPWIETHUNVZJOE-AAEUAGOBSA-N 2 2 377.273 3.965 20 0 GHADLP C[N@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435624350 850721044 /nfs/dbraw/zinc/72/10/44/850721044.db2.gz JFFUARMHRDSFDV-QAPCUYQASA-N 2 2 384.351 3.731 20 0 GHADLP C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435624350 850721052 /nfs/dbraw/zinc/72/10/52/850721052.db2.gz JFFUARMHRDSFDV-QAPCUYQASA-N 2 2 384.351 3.731 20 0 GHADLP Cc1scc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000180480051 862163400 /nfs/dbraw/zinc/16/34/00/862163400.db2.gz VLAXMQLLBKNNKH-WOJBJXKFSA-N 2 2 377.598 3.774 20 0 GHADLP Cc1scc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000180480051 862163404 /nfs/dbraw/zinc/16/34/04/862163404.db2.gz VLAXMQLLBKNNKH-WOJBJXKFSA-N 2 2 377.598 3.774 20 0 GHADLP O=C(C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1ccccc1Cl ZINC000435692033 850770110 /nfs/dbraw/zinc/77/01/10/850770110.db2.gz IPUJSBPREBIUEM-SFHVURJKSA-N 2 2 389.952 3.984 20 0 GHADLP O=C(C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1ccccc1Cl ZINC000435692033 850770117 /nfs/dbraw/zinc/77/01/17/850770117.db2.gz IPUJSBPREBIUEM-SFHVURJKSA-N 2 2 389.952 3.984 20 0 GHADLP CCCCCC[N@H+](C)CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000732281563 862189545 /nfs/dbraw/zinc/18/95/45/862189545.db2.gz PMYPKCMFCMOHEC-UHFFFAOYSA-N 2 2 380.964 3.542 20 0 GHADLP CCCCCC[N@@H+](C)CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000732281563 862189556 /nfs/dbraw/zinc/18/95/56/862189556.db2.gz PMYPKCMFCMOHEC-UHFFFAOYSA-N 2 2 380.964 3.542 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(Oc3cnccn3)cc2)cc1 ZINC000414875838 851061349 /nfs/dbraw/zinc/06/13/49/851061349.db2.gz CKJPXZKGLPTJPF-VXKWHMMOSA-N 2 2 390.487 3.513 20 0 GHADLP CC[NH+](CC)CC1CC[NH+](Cc2cc(Br)ccc2C(=O)OC)CC1 ZINC000513961112 851073556 /nfs/dbraw/zinc/07/35/56/851073556.db2.gz WCPFXAHVRVWWEH-UHFFFAOYSA-N 2 2 397.357 3.790 20 0 GHADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000414845161 851074847 /nfs/dbraw/zinc/07/48/47/851074847.db2.gz LTXWVQWERGRWDL-JXFKEZNVSA-N 2 2 399.535 3.834 20 0 GHADLP CC[N@H+](Cc1ccc(OC)cn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000514119746 851283433 /nfs/dbraw/zinc/28/34/33/851283433.db2.gz ZJWWCLWNOJSRRN-UHFFFAOYSA-N 2 2 383.540 3.803 20 0 GHADLP CC[N@@H+](Cc1ccc(OC)cn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000514119746 851283440 /nfs/dbraw/zinc/28/34/40/851283440.db2.gz ZJWWCLWNOJSRRN-UHFFFAOYSA-N 2 2 383.540 3.803 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000514232467 851435304 /nfs/dbraw/zinc/43/53/04/851435304.db2.gz MCUOWYMQTYJXMM-OAQYLSRUSA-N 2 2 380.536 3.538 20 0 GHADLP CCO[C@@H](C)c1noc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000366593057 851554243 /nfs/dbraw/zinc/55/42/43/851554243.db2.gz OZLIMNLEMBVQAG-SFHVURJKSA-N 2 2 384.524 3.655 20 0 GHADLP CCO[C@@H](C)c1noc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000366593057 851554250 /nfs/dbraw/zinc/55/42/50/851554250.db2.gz OZLIMNLEMBVQAG-SFHVURJKSA-N 2 2 384.524 3.655 20 0 GHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000488849411 851820078 /nfs/dbraw/zinc/82/00/78/851820078.db2.gz BYMKRLKZWALIDX-UHFFFAOYSA-N 2 2 394.563 3.731 20 0 GHADLP C[C@H](c1nnnn1C1CC1)[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838601 851881509 /nfs/dbraw/zinc/88/15/09/851881509.db2.gz VFASHSFEZIAPSC-UTKZUKDTSA-N 2 2 394.567 3.692 20 0 GHADLP C[C@H](c1nnnn1C1CC1)[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838601 851881516 /nfs/dbraw/zinc/88/15/16/851881516.db2.gz VFASHSFEZIAPSC-UTKZUKDTSA-N 2 2 394.567 3.692 20 0 GHADLP C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425941984 851943084 /nfs/dbraw/zinc/94/30/84/851943084.db2.gz DEKILKNYGJFXNT-VGOFRKELSA-N 2 2 390.474 3.918 20 0 GHADLP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425941984 851943094 /nfs/dbraw/zinc/94/30/94/851943094.db2.gz DEKILKNYGJFXNT-VGOFRKELSA-N 2 2 390.474 3.918 20 0 GHADLP C[C@H](c1ccc(OC(F)F)cc1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425941984 851943103 /nfs/dbraw/zinc/94/31/03/851943103.db2.gz DEKILKNYGJFXNT-VGOFRKELSA-N 2 2 390.474 3.918 20 0 GHADLP C[C@H](c1ccc(OC(F)F)cc1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425941984 851943112 /nfs/dbraw/zinc/94/31/12/851943112.db2.gz DEKILKNYGJFXNT-VGOFRKELSA-N 2 2 390.474 3.918 20 0 GHADLP Cn1cc[nH+]c1C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000667961711 862336988 /nfs/dbraw/zinc/33/69/88/862336988.db2.gz SEJIRJPLTAJBTC-LEWJYISDSA-N 2 2 376.504 3.513 20 0 GHADLP C[N@H+](Cc1ccc(Cl)c2cccnc12)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425981677 852256962 /nfs/dbraw/zinc/25/69/62/852256962.db2.gz SICYQUIKJMWFRW-QHCPKHFHSA-N 2 2 395.934 3.957 20 0 GHADLP C[N@@H+](Cc1ccc(Cl)c2cccnc12)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425981677 852256970 /nfs/dbraw/zinc/25/69/70/852256970.db2.gz SICYQUIKJMWFRW-QHCPKHFHSA-N 2 2 395.934 3.957 20 0 GHADLP C[NH+](Cc1ccc(Cl)c2cccnc12)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425981677 852256977 /nfs/dbraw/zinc/25/69/77/852256977.db2.gz SICYQUIKJMWFRW-QHCPKHFHSA-N 2 2 395.934 3.957 20 0 GHADLP C[NH+](Cc1ccc(Cl)c2cccnc12)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425981677 852256982 /nfs/dbraw/zinc/25/69/82/852256982.db2.gz SICYQUIKJMWFRW-QHCPKHFHSA-N 2 2 395.934 3.957 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000489460880 852359683 /nfs/dbraw/zinc/35/96/83/852359683.db2.gz WPSXLYXUODMVDU-IBGZPJMESA-N 2 2 386.584 3.705 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000489460880 852359691 /nfs/dbraw/zinc/35/96/91/852359691.db2.gz WPSXLYXUODMVDU-IBGZPJMESA-N 2 2 386.584 3.705 20 0 GHADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426038458 852496328 /nfs/dbraw/zinc/49/63/28/852496328.db2.gz ZBZSSNZOKSONCO-YADHBBJMSA-N 2 2 387.955 3.701 20 0 GHADLP C[C@H]1[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000489956788 852672022 /nfs/dbraw/zinc/67/20/22/852672022.db2.gz NPDQEFMFEUFHNJ-SQJMNOBHSA-N 2 2 377.576 3.946 20 0 GHADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)[C@@H](C)C2 ZINC000490112043 852759595 /nfs/dbraw/zinc/75/95/95/852759595.db2.gz IGKVBWGADGCNEV-YADARESESA-N 2 2 380.532 3.729 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1nnc2n1CCCCC2 ZINC000507474583 852948182 /nfs/dbraw/zinc/94/81/82/852948182.db2.gz XSUWRAZQESPIQT-CLAROIROSA-N 2 2 393.579 3.956 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1nnc2n1CCCCC2 ZINC000507474583 852948183 /nfs/dbraw/zinc/94/81/83/852948183.db2.gz XSUWRAZQESPIQT-CLAROIROSA-N 2 2 393.579 3.956 20 0 GHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]13)C2 ZINC000507513436 852991537 /nfs/dbraw/zinc/99/15/37/852991537.db2.gz RNDMHBDMQUQGNY-CLAROIROSA-N 3 2 392.591 3.996 20 0 GHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]13)C2 ZINC000507513436 852991543 /nfs/dbraw/zinc/99/15/43/852991543.db2.gz RNDMHBDMQUQGNY-CLAROIROSA-N 3 2 392.591 3.996 20 0 GHADLP C[NH+](C)CCCCCCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000151063514 853014684 /nfs/dbraw/zinc/01/46/84/853014684.db2.gz JELBHMZSRGOKKG-YADHBBJMSA-N 2 2 397.567 3.923 20 0 GHADLP COc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1OCc1ccccc1 ZINC000518272014 853146355 /nfs/dbraw/zinc/14/63/55/853146355.db2.gz YMPRYHBFHVJFCT-WOJBJXKFSA-N 2 2 398.547 3.863 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623854635 862471486 /nfs/dbraw/zinc/47/14/86/862471486.db2.gz FTEQQWMBLGWXIP-QGZVFWFLSA-N 2 2 399.560 3.765 20 0 GHADLP C[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1c(Cl)cccc1Cl ZINC000586764459 853530443 /nfs/dbraw/zinc/53/04/43/853530443.db2.gz YQNOMLBUKYBKFN-AWEZNQCLSA-N 2 2 386.367 3.581 20 0 GHADLP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1c(Cl)cccc1Cl ZINC000586764459 853530451 /nfs/dbraw/zinc/53/04/51/853530451.db2.gz YQNOMLBUKYBKFN-AWEZNQCLSA-N 2 2 386.367 3.581 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c(C)c1 ZINC000440842449 853675125 /nfs/dbraw/zinc/67/51/25/853675125.db2.gz FXDBQDKXIAZVMR-IRLDBZIGSA-N 2 2 397.567 3.661 20 0 GHADLP C[NH+](C)CCN(Cc1ccc(Br)cc1)Cc1cccc2[nH+]ccn21 ZINC000571567629 853952262 /nfs/dbraw/zinc/95/22/62/853952262.db2.gz URQAAXWOXZCYAE-UHFFFAOYSA-N 2 2 387.325 3.661 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N(C)c2ccccc2)c(C)c1 ZINC000441379588 854164433 /nfs/dbraw/zinc/16/44/33/854164433.db2.gz PFJXWGVKVFXHJA-KNQAVFIVSA-N 2 2 376.504 3.882 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000156766087 854254786 /nfs/dbraw/zinc/25/47/86/854254786.db2.gz WVVSFTGBSUEKEV-FXAWDEMLSA-N 2 2 388.556 3.596 20 0 GHADLP CCN(C(=O)NCCCNc1cccc[nH+]1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473941084 854354008 /nfs/dbraw/zinc/35/40/08/854354008.db2.gz BJHRRGGHTPGCDP-TZIWHRDSSA-N 2 2 395.551 3.751 20 0 GHADLP CCN(C(=O)NCCCNc1cccc[nH+]1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473941084 854354017 /nfs/dbraw/zinc/35/40/17/854354017.db2.gz BJHRRGGHTPGCDP-TZIWHRDSSA-N 2 2 395.551 3.751 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000588688179 854359165 /nfs/dbraw/zinc/35/91/65/854359165.db2.gz QNOHIODDJRRFKU-MAUKXSAKSA-N 2 2 382.426 3.729 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000588688179 854359170 /nfs/dbraw/zinc/35/91/70/854359170.db2.gz QNOHIODDJRRFKU-MAUKXSAKSA-N 2 2 382.426 3.729 20 0 GHADLP CCCNC(=O)C[NH+]1CCC(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000123647834 854411811 /nfs/dbraw/zinc/41/18/11/854411811.db2.gz UTVMCZVLVGEKSZ-UHFFFAOYSA-N 2 2 394.441 3.656 20 0 GHADLP C[C@@]1(C[N@@H+]2CCC[C@H]2c2nc(-c3ccccc3Br)no2)CC[NH2+]C1 ZINC000262085324 854491703 /nfs/dbraw/zinc/49/17/03/854491703.db2.gz UGIGYQFDOJNMNH-MAUKXSAKSA-N 2 2 391.313 3.636 20 0 GHADLP C[C@@]1(C[N@H+]2CCC[C@H]2c2nc(-c3ccccc3Br)no2)CC[NH2+]C1 ZINC000262085324 854491707 /nfs/dbraw/zinc/49/17/07/854491707.db2.gz UGIGYQFDOJNMNH-MAUKXSAKSA-N 2 2 391.313 3.636 20 0 GHADLP CC[N@@H+](CC(=O)c1c[nH]c2ccccc12)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072867833 854731442 /nfs/dbraw/zinc/73/14/42/854731442.db2.gz MWMZBOKFRVCOFL-UHFFFAOYSA-N 2 2 376.504 3.984 20 0 GHADLP CC[N@H+](CC(=O)c1c[nH]c2ccccc12)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072867833 854731445 /nfs/dbraw/zinc/73/14/45/854731445.db2.gz MWMZBOKFRVCOFL-UHFFFAOYSA-N 2 2 376.504 3.984 20 0 GHADLP CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000536369589 855155028 /nfs/dbraw/zinc/15/50/28/855155028.db2.gz JMHKGHWGMXFBEJ-HXUWFJFHSA-N 2 2 383.536 3.695 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000590851159 855613726 /nfs/dbraw/zinc/61/37/26/855613726.db2.gz GDBWLUNZVRLPKA-KNQAVFIVSA-N 2 2 395.551 3.662 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000590851159 855613730 /nfs/dbraw/zinc/61/37/30/855613730.db2.gz GDBWLUNZVRLPKA-KNQAVFIVSA-N 2 2 395.551 3.662 20 0 GHADLP CC[N@H+](C[C@@H](O)COc1cc(C)cc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441621016 855775768 /nfs/dbraw/zinc/77/57/68/855775768.db2.gz NNZRXVGKVIFURF-JOCHJYFZSA-N 2 2 397.563 3.677 20 0 GHADLP CC[N@@H+](C[C@@H](O)COc1cc(C)cc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441621016 855775779 /nfs/dbraw/zinc/77/57/79/855775779.db2.gz NNZRXVGKVIFURF-JOCHJYFZSA-N 2 2 397.563 3.677 20 0 GHADLP Cc1cc(F)cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1 ZINC001143587429 855971871 /nfs/dbraw/zinc/97/18/71/855971871.db2.gz KFAKBZBBNGEJBN-PUHATCMVSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1cc(F)cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1 ZINC001143587429 855971875 /nfs/dbraw/zinc/97/18/75/855971875.db2.gz KFAKBZBBNGEJBN-PUHATCMVSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1cc(F)cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c1 ZINC001143587429 855971887 /nfs/dbraw/zinc/97/18/87/855971887.db2.gz KFAKBZBBNGEJBN-PUHATCMVSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1cc(F)cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c1 ZINC001143587429 855971895 /nfs/dbraw/zinc/97/18/95/855971895.db2.gz KFAKBZBBNGEJBN-PUHATCMVSA-N 2 2 382.527 3.706 20 0 GHADLP Cc1ccc([C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C2CCC2)o1 ZINC000542666320 856006404 /nfs/dbraw/zinc/00/64/04/856006404.db2.gz LDAFOJBJJBNBOS-QHCPKHFHSA-N 2 2 384.520 3.930 20 0 GHADLP C[C@H]1C[N@H+](CCCc2c(Cl)cccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000482158428 862752656 /nfs/dbraw/zinc/75/26/56/862752656.db2.gz SYVKSXREGKWSSR-OXJNMPFZSA-N 2 2 384.395 3.884 20 0 GHADLP C[C@H]1C[N@@H+](CCCc2c(Cl)cccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000482158428 862752662 /nfs/dbraw/zinc/75/26/62/862752662.db2.gz SYVKSXREGKWSSR-OXJNMPFZSA-N 2 2 384.395 3.884 20 0 GHADLP Cc1ccccc1[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000674329699 856173576 /nfs/dbraw/zinc/17/35/76/856173576.db2.gz KPQVIMGCANUNMB-WIYYLYMNSA-N 2 2 386.584 3.550 20 0 GHADLP Cc1ccccc1[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000674329699 856173585 /nfs/dbraw/zinc/17/35/85/856173585.db2.gz KPQVIMGCANUNMB-WIYYLYMNSA-N 2 2 386.584 3.550 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000674371990 856222736 /nfs/dbraw/zinc/22/27/36/856222736.db2.gz XPYWOTOGZIZHJC-JOCHJYFZSA-N 2 2 396.535 3.742 20 0 GHADLP COc1ccc([C@H]2C[C@H](N(c3ccc(C)c[nH+]3)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168677954 856624247 /nfs/dbraw/zinc/62/42/47/856624247.db2.gz ROYWBZHEVKWECM-IFMALSPDSA-N 2 2 381.520 3.877 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000665257467 857179030 /nfs/dbraw/zinc/17/90/30/857179030.db2.gz KHDHLYFTISENSJ-FIKMYACPSA-N 2 2 381.495 3.852 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCN(c3ccccc3)CC2)cc1F ZINC000665259443 857216115 /nfs/dbraw/zinc/21/61/15/857216115.db2.gz GFYCJTHMFMCLEL-UNMCSNQZSA-N 2 2 383.511 3.538 20 0 GHADLP CC[N@@H+](Cc1ccc2c(c1)CCC(=O)N2C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000187007317 862905317 /nfs/dbraw/zinc/90/53/17/862905317.db2.gz PEDRVQOLRDZBTJ-UHFFFAOYSA-N 2 2 392.547 3.729 20 0 GHADLP CC[N@H+](Cc1ccc2c(c1)CCC(=O)N2C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000187007317 862905323 /nfs/dbraw/zinc/90/53/23/862905323.db2.gz PEDRVQOLRDZBTJ-UHFFFAOYSA-N 2 2 392.547 3.729 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H](Cn3cccn3)c3ccccc3)CC2)cc1 ZINC000766139614 857397792 /nfs/dbraw/zinc/39/77/92/857397792.db2.gz UAXYEBTZQGWNGO-XMMPIXPASA-N 2 2 389.547 3.949 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624189539 862913964 /nfs/dbraw/zinc/91/39/64/862913964.db2.gz QRYJDOBTBAKRJT-YOEHRIQHSA-N 2 2 379.932 3.672 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624189539 862913977 /nfs/dbraw/zinc/91/39/77/862913977.db2.gz QRYJDOBTBAKRJT-YOEHRIQHSA-N 2 2 379.932 3.672 20 0 GHADLP CC1CC[NH+]([C@H](CNC(=O)NCCCNc2cccc[nH+]2)c2ccccc2)CC1 ZINC000060630487 857468364 /nfs/dbraw/zinc/46/83/64/857468364.db2.gz ISZBMBXESSCXMJ-OAQYLSRUSA-N 2 2 395.551 3.656 20 0 GHADLP CN(C(=O)c1cccc(Nc2ccccc2)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000605306231 862920412 /nfs/dbraw/zinc/92/04/12/862920412.db2.gz JXIRAJXSMBIUBZ-HSZRJFAPSA-N 2 2 392.547 3.671 20 0 GHADLP CN(C(=O)c1cccc(Nc2ccccc2)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000605306231 862920421 /nfs/dbraw/zinc/92/04/21/862920421.db2.gz JXIRAJXSMBIUBZ-HSZRJFAPSA-N 2 2 392.547 3.671 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000521062601 857572779 /nfs/dbraw/zinc/57/27/79/857572779.db2.gz SONXWGOWIGBOOK-RTBURBONSA-N 2 2 377.891 3.501 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cccc(C[NH+](C)C)c2)c(C)c1 ZINC000442174978 857582725 /nfs/dbraw/zinc/58/27/25/857582725.db2.gz NVRCHUFTKJKDFA-JOCHJYFZSA-N 2 2 376.504 3.733 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3csc(-c4ccccn4)n3)[nH+]c2)CC1 ZINC000676201742 857783171 /nfs/dbraw/zinc/78/31/71/857783171.db2.gz IYCFBUPSDMBKPE-UHFFFAOYSA-N 2 2 394.548 3.743 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc2ccccc2c1 ZINC000676478305 857898950 /nfs/dbraw/zinc/89/89/50/857898950.db2.gz SCJIKXJFITXLJV-SPEDKVCISA-N 2 2 376.504 3.939 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc2ccccc2c1 ZINC000676478305 857898954 /nfs/dbraw/zinc/89/89/54/857898954.db2.gz SCJIKXJFITXLJV-SPEDKVCISA-N 2 2 376.504 3.939 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000676478306 857899057 /nfs/dbraw/zinc/89/90/57/857899057.db2.gz NCYPZYUMPHSXDM-ZFWWWQNUSA-N 2 2 381.307 3.704 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000676478306 857899060 /nfs/dbraw/zinc/89/90/60/857899060.db2.gz NCYPZYUMPHSXDM-ZFWWWQNUSA-N 2 2 381.307 3.704 20 0 GHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)Cc2cccc(Cl)c2)CC1 ZINC000521585884 858133017 /nfs/dbraw/zinc/13/30/17/858133017.db2.gz GCDOSBWCABOPBP-UHFFFAOYSA-N 2 2 399.966 3.815 20 0 GHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)Cc2cccc(Cl)c2)CC1 ZINC000521585884 858133026 /nfs/dbraw/zinc/13/30/26/858133026.db2.gz GCDOSBWCABOPBP-UHFFFAOYSA-N 2 2 399.966 3.815 20 0 GHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)Cc2cccc(Cl)c2)CC1 ZINC000521585884 858133034 /nfs/dbraw/zinc/13/30/34/858133034.db2.gz GCDOSBWCABOPBP-UHFFFAOYSA-N 2 2 399.966 3.815 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)Cc2cccc(Cl)c2)CC1 ZINC000521585884 858133041 /nfs/dbraw/zinc/13/30/41/858133041.db2.gz GCDOSBWCABOPBP-UHFFFAOYSA-N 2 2 399.966 3.815 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000521854811 858379320 /nfs/dbraw/zinc/37/93/20/858379320.db2.gz MHFUASJXQSWZPO-OAQYLSRUSA-N 2 2 399.583 3.526 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000521854811 858379330 /nfs/dbraw/zinc/37/93/30/858379330.db2.gz MHFUASJXQSWZPO-OAQYLSRUSA-N 2 2 399.583 3.526 20 0 GHADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc(O[C@H]4CCOC4)cc3)C2)n2c1CCCC2 ZINC000668104066 858769274 /nfs/dbraw/zinc/76/92/74/858769274.db2.gz ABCTYBKYXUIJFA-KNQAVFIVSA-N 2 2 381.520 3.767 20 0 GHADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3ccc(O[C@H]4CCOC4)cc3)C2)n2c1CCCC2 ZINC000668104066 858769281 /nfs/dbraw/zinc/76/92/81/858769281.db2.gz ABCTYBKYXUIJFA-KNQAVFIVSA-N 2 2 381.520 3.767 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000532186925 881359692 /nfs/dbraw/zinc/35/96/92/881359692.db2.gz QDOUMMYCHZIEFU-UZLBHIALSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000532186925 881359712 /nfs/dbraw/zinc/35/97/12/881359712.db2.gz QDOUMMYCHZIEFU-UZLBHIALSA-N 2 2 375.463 3.726 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000185357701 859075014 /nfs/dbraw/zinc/07/50/14/859075014.db2.gz SQHNUWXRWNJQDE-ILWGZMRPSA-N 2 2 392.609 3.790 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000185357701 859075026 /nfs/dbraw/zinc/07/50/26/859075026.db2.gz SQHNUWXRWNJQDE-ILWGZMRPSA-N 2 2 392.609 3.790 20 0 GHADLP CN(c1ccccc1)C1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509344506 859122932 /nfs/dbraw/zinc/12/29/32/859122932.db2.gz UAGPANGGSXYQLU-UHFFFAOYSA-N 2 2 392.591 3.800 20 0 GHADLP CN(C(=O)c1ccc(Oc2ccccc2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478625 859292002 /nfs/dbraw/zinc/29/20/02/859292002.db2.gz QPAHSRKJGMYNSH-OAQYLSRUSA-N 2 2 393.531 3.719 20 0 GHADLP CN(C(=O)c1ccc(Oc2ccccc2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478625 859292003 /nfs/dbraw/zinc/29/20/03/859292003.db2.gz QPAHSRKJGMYNSH-OAQYLSRUSA-N 2 2 393.531 3.719 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(Cl)cc3Br)CC[C@H]21 ZINC000483468713 859394873 /nfs/dbraw/zinc/39/48/73/859394873.db2.gz BYXBHBRGLXBDJV-CZUORRHYSA-N 2 2 387.749 3.897 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(Cl)cc3Br)CC[C@H]21 ZINC000483468713 859394879 /nfs/dbraw/zinc/39/48/79/859394879.db2.gz BYXBHBRGLXBDJV-CZUORRHYSA-N 2 2 387.749 3.897 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccc(Cl)cc3Br)CC[C@H]21 ZINC000483468713 859394885 /nfs/dbraw/zinc/39/48/85/859394885.db2.gz BYXBHBRGLXBDJV-CZUORRHYSA-N 2 2 387.749 3.897 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3Br)CC[C@H]21 ZINC000483468713 859394891 /nfs/dbraw/zinc/39/48/91/859394891.db2.gz BYXBHBRGLXBDJV-CZUORRHYSA-N 2 2 387.749 3.897 20 0 GHADLP OCC[N@@H+](Cc1ccc(Br)s1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000483507007 859416994 /nfs/dbraw/zinc/41/69/94/859416994.db2.gz RSTGHRCVMGPNSM-UHFFFAOYSA-N 2 2 398.351 3.752 20 0 GHADLP OCC[N@H+](Cc1ccc(Br)s1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000483507007 859417002 /nfs/dbraw/zinc/41/70/02/859417002.db2.gz RSTGHRCVMGPNSM-UHFFFAOYSA-N 2 2 398.351 3.752 20 0 GHADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1ncc(Br)cn1 ZINC000626063279 859437534 /nfs/dbraw/zinc/43/75/34/859437534.db2.gz YGADXDGOVGIFJE-AWEZNQCLSA-N 2 2 377.330 3.884 20 0 GHADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1ncc(Br)cn1 ZINC000626063279 859437543 /nfs/dbraw/zinc/43/75/43/859437543.db2.gz YGADXDGOVGIFJE-AWEZNQCLSA-N 2 2 377.330 3.884 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[NH+](Cc2cccs2)Cc2cccs2)CC1 ZINC000114454041 859612575 /nfs/dbraw/zinc/61/25/75/859612575.db2.gz ZJYPVISGWLTRPP-UHFFFAOYSA-N 2 2 391.606 3.801 20 0 GHADLP O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117773575 859618077 /nfs/dbraw/zinc/61/80/77/859618077.db2.gz ZENSXJUVXXDONW-UHFFFAOYSA-N 2 2 380.517 3.576 20 0 GHADLP Cc1c([C@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)nnn1-c1ccccc1 ZINC000484125758 859816621 /nfs/dbraw/zinc/81/66/21/859816621.db2.gz BNZOZOBCNHZICJ-KRWDZBQOSA-N 2 2 376.508 3.599 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000484144522 859830590 /nfs/dbraw/zinc/83/05/90/859830590.db2.gz WCPDEAAZSSDSQN-UZLBHIALSA-N 2 2 394.437 3.873 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000484144522 859830599 /nfs/dbraw/zinc/83/05/99/859830599.db2.gz WCPDEAAZSSDSQN-UZLBHIALSA-N 2 2 394.437 3.873 20 0 GHADLP CN(C(=O)Nc1ccc(-c2ccccc2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608488483 859834094 /nfs/dbraw/zinc/83/40/94/859834094.db2.gz JVVZCDDRCQTMIR-QHCPKHFHSA-N 2 2 392.547 3.986 20 0 GHADLP CN(C(=O)Nc1ccc(-c2ccccc2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608488483 859834100 /nfs/dbraw/zinc/83/41/00/859834100.db2.gz JVVZCDDRCQTMIR-QHCPKHFHSA-N 2 2 392.547 3.986 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OC)c(OC)c1 ZINC000484149662 859837947 /nfs/dbraw/zinc/83/79/47/859837947.db2.gz WLRBXCPNQFVYAL-BHIFYINESA-N 2 2 398.547 3.628 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OC)c(OC)c1 ZINC000484149662 859837952 /nfs/dbraw/zinc/83/79/52/859837952.db2.gz WLRBXCPNQFVYAL-BHIFYINESA-N 2 2 398.547 3.628 20 0 GHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(OCc2nccn2C)cc1 ZINC000765248261 859864937 /nfs/dbraw/zinc/86/49/37/859864937.db2.gz CWVZYYCLYBVBRU-XLIONFOSSA-N 2 2 381.524 3.961 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765250436 859865488 /nfs/dbraw/zinc/86/54/88/859865488.db2.gz MEPSVGCFMSPKOI-VQIMIIECSA-N 2 2 390.959 3.978 20 0 GHADLP CN(C(=O)C=C1CCC(C(C)(C)C)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000765506020 860024107 /nfs/dbraw/zinc/02/41/07/860024107.db2.gz MLHUKHPYHPNPSZ-QWAKEFERSA-N 2 2 375.601 3.776 20 0 GHADLP CN(C(=O)C=C1CCC(C(C)(C)C)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000765506020 860024110 /nfs/dbraw/zinc/02/41/10/860024110.db2.gz MLHUKHPYHPNPSZ-QWAKEFERSA-N 2 2 375.601 3.776 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]Cc3cnc4ccccc4c3)CC2)cc1 ZINC000727467186 860105398 /nfs/dbraw/zinc/10/53/98/860105398.db2.gz POPYPYMWIRRVRP-UHFFFAOYSA-N 2 2 388.559 3.922 20 0 GHADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000499907909 860148785 /nfs/dbraw/zinc/14/87/85/860148785.db2.gz LMLLUUDVMSTZLM-UHFFFAOYSA-N 2 2 389.341 3.824 20 0 GHADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000499907909 860148790 /nfs/dbraw/zinc/14/87/90/860148790.db2.gz LMLLUUDVMSTZLM-UHFFFAOYSA-N 2 2 389.341 3.824 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)s1 ZINC000602813873 860310665 /nfs/dbraw/zinc/31/06/65/860310665.db2.gz ZVBCXIXFPFBOIF-HZPDHXFCSA-N 2 2 387.549 3.566 20 0 GHADLP [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000904449129 860452512 /nfs/dbraw/zinc/45/25/12/860452512.db2.gz FFSICADDJZNGGP-JTSKRJEESA-N 2 2 379.508 3.622 20 0 GHADLP c1ccc([C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]2CCOC2)cc1 ZINC000509030721 860620613 /nfs/dbraw/zinc/62/06/13/860620613.db2.gz JSXQEDMIWCAMIX-ISKFKSNPSA-N 2 2 379.548 3.566 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCCN(c4ccccc4)C3=O)CC2)cc1 ZINC000766002075 860675275 /nfs/dbraw/zinc/67/52/75/860675275.db2.gz NXJCVRWRSWHECA-QHCPKHFHSA-N 2 2 392.547 3.507 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccn(C4CCCC4)n3)C2)ccn1 ZINC000856601062 881575641 /nfs/dbraw/zinc/57/56/41/881575641.db2.gz ZUQQLWRYBUSHCZ-HSZRJFAPSA-N 2 2 397.567 3.887 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccn(C4CCCC4)n3)C2)ccn1 ZINC000856601062 881575650 /nfs/dbraw/zinc/57/56/50/881575650.db2.gz ZUQQLWRYBUSHCZ-HSZRJFAPSA-N 2 2 397.567 3.887 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccn(C4CCCC4)n3)C2)ccn1 ZINC000856601062 881575653 /nfs/dbraw/zinc/57/56/53/881575653.db2.gz ZUQQLWRYBUSHCZ-HSZRJFAPSA-N 2 2 397.567 3.887 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccn(C4CCCC4)n3)C2)ccn1 ZINC000856601062 881575657 /nfs/dbraw/zinc/57/56/57/881575657.db2.gz ZUQQLWRYBUSHCZ-HSZRJFAPSA-N 2 2 397.567 3.887 20 0 GHADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2([NH+](C)C)Cc3ccccc3C2)cc1OC ZINC000474801970 860804762 /nfs/dbraw/zinc/80/47/62/860804762.db2.gz UBZQTJOMLHLIIW-ZWKOTPCHSA-N 2 2 382.548 3.885 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000482543276 863299349 /nfs/dbraw/zinc/29/93/49/863299349.db2.gz LFTXWKOMAXBYCI-VXGBXAGGSA-N 2 2 392.758 3.885 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000482543276 863299363 /nfs/dbraw/zinc/29/93/63/863299363.db2.gz LFTXWKOMAXBYCI-VXGBXAGGSA-N 2 2 392.758 3.885 20 0 GHADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000182616385 863303642 /nfs/dbraw/zinc/30/36/42/863303642.db2.gz KSLPPUBQFPUNAH-QHCPKHFHSA-N 2 2 384.495 3.704 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000482626773 863399986 /nfs/dbraw/zinc/39/99/86/863399986.db2.gz FNGQDFZNBLCXHV-WMLDXEAASA-N 2 2 375.513 3.545 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000482626773 863400002 /nfs/dbraw/zinc/40/00/02/863400002.db2.gz FNGQDFZNBLCXHV-WMLDXEAASA-N 2 2 375.513 3.545 20 0 GHADLP CC(C)n1cc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cn1 ZINC000482629775 863403784 /nfs/dbraw/zinc/40/37/84/863403784.db2.gz OWAREKQSVZZVGB-SFHVURJKSA-N 2 2 389.975 3.980 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(F)c1F ZINC000183235927 863515702 /nfs/dbraw/zinc/51/57/02/863515702.db2.gz RNWHLACGUNCVHO-INIZCTEOSA-N 2 2 376.447 3.527 20 0 GHADLP CCc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(C[NH+](C)C)c3)CC2)s1 ZINC000606474016 863654410 /nfs/dbraw/zinc/65/44/10/863654410.db2.gz COHLKYHEAHCVHG-UHFFFAOYSA-N 2 2 386.565 3.722 20 0 GHADLP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)Nc1ccc2[nH+]ccn2c1 ZINC000606583794 863733443 /nfs/dbraw/zinc/73/34/43/863733443.db2.gz OAKSZWDAIODLMS-GOSISDBHSA-N 2 2 383.883 3.946 20 0 GHADLP CC[N@H+](Cc1cn(C2CCC2)nn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000667628448 864105734 /nfs/dbraw/zinc/10/57/34/864105734.db2.gz FYBQVBVPNJSNEU-UHFFFAOYSA-N 2 2 397.571 3.716 20 0 GHADLP CC[N@@H+](Cc1cn(C2CCC2)nn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000667628448 864105740 /nfs/dbraw/zinc/10/57/40/864105740.db2.gz FYBQVBVPNJSNEU-UHFFFAOYSA-N 2 2 397.571 3.716 20 0 GHADLP CC(C)CN(CC(C)(C)C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000475111370 864192999 /nfs/dbraw/zinc/19/29/99/864192999.db2.gz QBDUZXPMMQCSFZ-UHFFFAOYSA-N 2 2 380.621 3.650 20 0 GHADLP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000621641163 864345944 /nfs/dbraw/zinc/34/59/44/864345944.db2.gz BMEHGPHLHNURDX-QAPCUYQASA-N 2 2 381.923 3.512 20 0 GHADLP Cc1cc(N2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)cc[nH+]1 ZINC001168057019 864364492 /nfs/dbraw/zinc/36/44/92/864364492.db2.gz LMRVXFOPAHKFFF-RUMRUAAYSA-N 3 2 378.564 3.954 20 0 GHADLP Cc1cc(N2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)cc[nH+]1 ZINC001168057019 864364498 /nfs/dbraw/zinc/36/44/98/864364498.db2.gz LMRVXFOPAHKFFF-RUMRUAAYSA-N 3 2 378.564 3.954 20 0 GHADLP CC(=O)N1CC[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c2ccccc21 ZINC000621757542 864404644 /nfs/dbraw/zinc/40/46/44/864404644.db2.gz IWSNQWAGRTVMQN-NRFANRHFSA-N 2 2 393.535 3.522 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1OC(F)F ZINC000163712641 864556223 /nfs/dbraw/zinc/55/62/23/864556223.db2.gz QJSPKGPAWQAURO-MRXNPFEDSA-N 2 2 376.447 3.971 20 0 GHADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000163862112 864573270 /nfs/dbraw/zinc/57/32/70/864573270.db2.gz JTXHXFJSIXDHSZ-QGZVFWFLSA-N 2 2 387.549 3.951 20 0 GHADLP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000480482040 864707878 /nfs/dbraw/zinc/70/78/78/864707878.db2.gz ZMTCHMHRGISNNK-YKSBVNFPSA-N 2 2 390.531 3.905 20 0 GHADLP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000167156059 864770196 /nfs/dbraw/zinc/77/01/96/864770196.db2.gz XUFKYPJGBICJIE-REWPJTCUSA-N 2 2 397.563 3.806 20 0 GHADLP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000167156059 864770202 /nfs/dbraw/zinc/77/02/02/864770202.db2.gz XUFKYPJGBICJIE-REWPJTCUSA-N 2 2 397.563 3.806 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000716229931 864919949 /nfs/dbraw/zinc/91/99/49/864919949.db2.gz PCXJKADUFFOFRA-FQEVSTJZSA-N 2 2 387.568 3.886 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@@H](C3CC3)[N@H+](C)Cc3ccccc3)ccc2[nH+]1 ZINC000480604430 864962118 /nfs/dbraw/zinc/96/21/18/864962118.db2.gz BLQRTDRWRDIHGN-FQEVSTJZSA-N 2 2 377.492 3.675 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@@H](C3CC3)[N@@H+](C)Cc3ccccc3)ccc2[nH+]1 ZINC000480604430 864962125 /nfs/dbraw/zinc/96/21/25/864962125.db2.gz BLQRTDRWRDIHGN-FQEVSTJZSA-N 2 2 377.492 3.675 20 0 GHADLP COCCOc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1OC ZINC000554879605 865101703 /nfs/dbraw/zinc/10/17/03/865101703.db2.gz WUMBGTDGRXBFCD-UHFFFAOYSA-N 2 2 398.547 3.817 20 0 GHADLP COCCOc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1OC ZINC000554879605 865101708 /nfs/dbraw/zinc/10/17/08/865101708.db2.gz WUMBGTDGRXBFCD-UHFFFAOYSA-N 2 2 398.547 3.817 20 0 GHADLP Cn1nnc2cc(C[N@H+](CCn3cc[nH+]c3)Cc3cccc(Cl)c3)ccc21 ZINC000554884672 865114438 /nfs/dbraw/zinc/11/44/38/865114438.db2.gz ZTMDCWRGUXDZOO-UHFFFAOYSA-N 2 2 380.883 3.521 20 0 GHADLP Cn1nnc2cc(C[N@@H+](CCn3cc[nH+]c3)Cc3cccc(Cl)c3)ccc21 ZINC000554884672 865114441 /nfs/dbraw/zinc/11/44/41/865114441.db2.gz ZTMDCWRGUXDZOO-UHFFFAOYSA-N 2 2 380.883 3.521 20 0 GHADLP FC(F)(F)c1ccccc1N1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000480712257 865151590 /nfs/dbraw/zinc/15/15/90/865151590.db2.gz IUKBOPPECMRGOA-KRWDZBQOSA-N 2 2 390.453 3.938 20 0 GHADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@H](N4CC[NH+](CC)CC4)C3)cs2)cc1 ZINC000171527715 865277946 /nfs/dbraw/zinc/27/79/46/865277946.db2.gz NPSBUNFZPBJETM-NRFANRHFSA-N 2 2 384.593 3.584 20 0 GHADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@H](N4CC[NH+](CC)CC4)C3)cs2)cc1 ZINC000171527715 865277960 /nfs/dbraw/zinc/27/79/60/865277960.db2.gz NPSBUNFZPBJETM-NRFANRHFSA-N 2 2 384.593 3.584 20 0 GHADLP Brc1cccc2c(N3CCC[C@H](C[NH+]4CCOCC4)C3)cc[nH+]c12 ZINC000301387301 865329013 /nfs/dbraw/zinc/32/90/13/865329013.db2.gz DDXHCPINKCFJQD-OAHLLOKOSA-N 2 2 390.325 3.546 20 0 GHADLP Brc1cccc2c(N3CCC[C@@H](C[NH+]4CCOCC4)C3)cc[nH+]c12 ZINC000301387300 865329857 /nfs/dbraw/zinc/32/98/57/865329857.db2.gz DDXHCPINKCFJQD-HNNXBMFYSA-N 2 2 390.325 3.546 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000301649767 865476772 /nfs/dbraw/zinc/47/67/72/865476772.db2.gz FRJNMJINIPXGCO-QGZVFWFLSA-N 2 2 397.519 3.875 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N(Cc3ccccc3)C3CCCCC3)C2)CC1 ZINC000608686292 865567217 /nfs/dbraw/zinc/56/72/17/865567217.db2.gz LYIQGJYUXAJASJ-NRFANRHFSA-N 2 2 398.595 3.699 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N(Cc3ccccc3)C3CCCCC3)C2)CC1 ZINC000608686292 865567226 /nfs/dbraw/zinc/56/72/26/865567226.db2.gz LYIQGJYUXAJASJ-NRFANRHFSA-N 2 2 398.595 3.699 20 0 GHADLP Cn1c[nH+]cc1CCC(=O)Nc1ccc(C[N@H+](C)CCOc2ccccc2)cc1 ZINC000899272989 865665261 /nfs/dbraw/zinc/66/52/61/865665261.db2.gz LSYIVPJLUZZRRE-UHFFFAOYSA-N 2 2 392.503 3.502 20 0 GHADLP Cn1c[nH+]cc1CCC(=O)Nc1ccc(C[N@@H+](C)CCOc2ccccc2)cc1 ZINC000899272989 865665265 /nfs/dbraw/zinc/66/52/65/865665265.db2.gz LSYIVPJLUZZRRE-UHFFFAOYSA-N 2 2 392.503 3.502 20 0 GHADLP Cc1ccc(Cl)c2ccc(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)nc12 ZINC000302037776 865678794 /nfs/dbraw/zinc/67/87/94/865678794.db2.gz KKHICDKQPORXKW-JWTNVVGKSA-N 2 2 384.955 3.944 20 0 GHADLP Cc1ccc(Cl)c2ccc(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)nc12 ZINC000302037776 865678802 /nfs/dbraw/zinc/67/88/02/865678802.db2.gz KKHICDKQPORXKW-JWTNVVGKSA-N 2 2 384.955 3.944 20 0 GHADLP CC[N@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174389729 865794476 /nfs/dbraw/zinc/79/44/76/865794476.db2.gz FVXRKLWASRLPQZ-NRFANRHFSA-N 2 2 394.519 3.645 20 0 GHADLP CC[N@@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174389729 865794482 /nfs/dbraw/zinc/79/44/82/865794482.db2.gz FVXRKLWASRLPQZ-NRFANRHFSA-N 2 2 394.519 3.645 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)[nH+]c12 ZINC000555283145 865814809 /nfs/dbraw/zinc/81/48/09/865814809.db2.gz CWKWCJQVSMPZNQ-SFHVURJKSA-N 2 2 390.531 3.734 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)[nH+]c12 ZINC000555283145 865814814 /nfs/dbraw/zinc/81/48/14/865814814.db2.gz CWKWCJQVSMPZNQ-SFHVURJKSA-N 2 2 390.531 3.734 20 0 GHADLP CN(C(=O)C1CCC(C)(C)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359239 866642525 /nfs/dbraw/zinc/64/25/25/866642525.db2.gz NQFDWDFOVJPGEL-LEWJYISDSA-N 2 2 377.617 3.998 20 0 GHADLP CN(C(=O)C1CCC(C)(C)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359239 866642532 /nfs/dbraw/zinc/64/25/32/866642532.db2.gz NQFDWDFOVJPGEL-LEWJYISDSA-N 2 2 377.617 3.998 20 0 GHADLP CN(C(=O)NCCCC(C)(C)C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534384496 866698869 /nfs/dbraw/zinc/69/88/69/866698869.db2.gz QCNZBKIFNOOBTO-PMACEKPBSA-N 2 2 380.621 3.791 20 0 GHADLP CN(C(=O)NCCCC(C)(C)C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534384496 866698876 /nfs/dbraw/zinc/69/88/76/866698876.db2.gz QCNZBKIFNOOBTO-PMACEKPBSA-N 2 2 380.621 3.791 20 0 GHADLP CCC1(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000534384758 866699202 /nfs/dbraw/zinc/69/92/02/866699202.db2.gz OOGXHEVRTQOZMK-LEWJYISDSA-N 2 2 392.632 3.935 20 0 GHADLP CCC1(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000534384758 866699204 /nfs/dbraw/zinc/69/92/04/866699204.db2.gz OOGXHEVRTQOZMK-LEWJYISDSA-N 2 2 392.632 3.935 20 0 GHADLP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000180089838 866750554 /nfs/dbraw/zinc/75/05/54/866750554.db2.gz UBKLTFXDEOCMFI-OAHLLOKOSA-N 2 2 395.473 3.600 20 0 GHADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000553092520 866761261 /nfs/dbraw/zinc/76/12/61/866761261.db2.gz HIAWDQYLNKNEID-UYAOXDASSA-N 2 2 382.552 3.949 20 0 GHADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000553092520 866761270 /nfs/dbraw/zinc/76/12/70/866761270.db2.gz HIAWDQYLNKNEID-UYAOXDASSA-N 2 2 382.552 3.949 20 0 GHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)C2)CC1 ZINC000793233441 882027844 /nfs/dbraw/zinc/02/78/44/882027844.db2.gz TVUJRCAPNYFPAE-NCOXYXGASA-N 2 2 380.545 3.761 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)o1 ZINC000741983748 866966326 /nfs/dbraw/zinc/96/63/26/866966326.db2.gz PIMGRNFGBZBKSO-UHFFFAOYSA-N 2 2 398.551 3.586 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@H](C)C1 ZINC000153706571 867035535 /nfs/dbraw/zinc/03/55/35/867035535.db2.gz HBKBHFKDBFGSDK-UTKZUKDTSA-N 3 2 388.531 3.546 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@H](C)C1 ZINC000153706571 867035550 /nfs/dbraw/zinc/03/55/50/867035550.db2.gz HBKBHFKDBFGSDK-UTKZUKDTSA-N 3 2 388.531 3.546 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)[C@H](C)C1 ZINC000153706571 867035564 /nfs/dbraw/zinc/03/55/64/867035564.db2.gz HBKBHFKDBFGSDK-UTKZUKDTSA-N 2 2 388.531 3.546 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)[C@H](C)C1 ZINC000153706571 867035577 /nfs/dbraw/zinc/03/55/77/867035577.db2.gz HBKBHFKDBFGSDK-UTKZUKDTSA-N 2 2 388.531 3.546 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444784344 867245147 /nfs/dbraw/zinc/24/51/47/867245147.db2.gz VGMMVXUDEKLYRF-UHFFFAOYSA-N 2 2 375.516 3.998 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(-c2ccncc2)cc1 ZINC000553363996 867267414 /nfs/dbraw/zinc/26/74/14/867267414.db2.gz BCCQNFKZBNWJJX-UQBPGWFLSA-N 2 2 387.527 3.818 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(-c2ccncc2)cc1 ZINC000553363996 867267432 /nfs/dbraw/zinc/26/74/32/867267432.db2.gz BCCQNFKZBNWJJX-UQBPGWFLSA-N 2 2 387.527 3.818 20 0 GHADLP CC[N@H+](CCCC1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1)[C@@H](C)c1nnc(C)o1 ZINC000154730634 867581721 /nfs/dbraw/zinc/58/17/21/867581721.db2.gz GSJUCCAXWTVWGC-GJZGRUSLSA-N 2 2 390.532 3.706 20 0 GHADLP CC[N@@H+](CCCC1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1)[C@@H](C)c1nnc(C)o1 ZINC000154730634 867581733 /nfs/dbraw/zinc/58/17/33/867581733.db2.gz GSJUCCAXWTVWGC-GJZGRUSLSA-N 2 2 390.532 3.706 20 0 GHADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000620886216 867875083 /nfs/dbraw/zinc/87/50/83/867875083.db2.gz LLQQXGZKJXTIQU-UHFFFAOYSA-N 2 2 393.531 3.757 20 0 GHADLP Cc1nn(C)c2ncc(C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc12 ZINC000157051321 868539100 /nfs/dbraw/zinc/53/91/00/868539100.db2.gz DBAVXFVBAWJHEA-UTKZUKDTSA-N 2 2 377.536 3.762 20 0 GHADLP Cc1nn(C)c2ncc(C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc12 ZINC000157051321 868539108 /nfs/dbraw/zinc/53/91/08/868539108.db2.gz DBAVXFVBAWJHEA-UTKZUKDTSA-N 2 2 377.536 3.762 20 0 GHADLP Cc1nn(C)c2ncc(C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cc12 ZINC000157051321 868539112 /nfs/dbraw/zinc/53/91/12/868539112.db2.gz DBAVXFVBAWJHEA-UTKZUKDTSA-N 2 2 377.536 3.762 20 0 GHADLP Cc1nn(C)c2ncc(C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cc12 ZINC000157051321 868539113 /nfs/dbraw/zinc/53/91/13/868539113.db2.gz DBAVXFVBAWJHEA-UTKZUKDTSA-N 2 2 377.536 3.762 20 0 GHADLP COC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(Cl)c1F ZINC000554050404 868651223 /nfs/dbraw/zinc/65/12/23/868651223.db2.gz MBVYRUUTPMCLCO-HXUWFJFHSA-N 2 2 392.902 3.789 20 0 GHADLP COc1cccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[NH+](C)C)c1 ZINC000479864486 868660411 /nfs/dbraw/zinc/66/04/11/868660411.db2.gz ULABXXWRZPTUPK-YGOYIFOWSA-N 2 2 381.564 3.798 20 0 GHADLP COc1cccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[NH+](C)C)c1 ZINC000479864486 868660426 /nfs/dbraw/zinc/66/04/26/868660426.db2.gz ULABXXWRZPTUPK-YGOYIFOWSA-N 2 2 381.564 3.798 20 0 GHADLP COc1cccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N(C)C)c1 ZINC000479864486 868660436 /nfs/dbraw/zinc/66/04/36/868660436.db2.gz ULABXXWRZPTUPK-YGOYIFOWSA-N 2 2 381.564 3.798 20 0 GHADLP COc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N(C)C)c1 ZINC000479864486 868660444 /nfs/dbraw/zinc/66/04/44/868660444.db2.gz ULABXXWRZPTUPK-YGOYIFOWSA-N 2 2 381.564 3.798 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000524474464 869133531 /nfs/dbraw/zinc/13/35/31/869133531.db2.gz UONYHOWKHUUYQU-LEWJYISDSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000524474464 869133535 /nfs/dbraw/zinc/13/35/35/869133535.db2.gz UONYHOWKHUUYQU-LEWJYISDSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)CCOc1cccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000524964324 869847153 /nfs/dbraw/zinc/84/71/53/869847153.db2.gz BPVSWKOFSHPOLO-IBGZPJMESA-N 2 2 375.900 3.522 20 0 GHADLP O=C(Nc1cccc2[nH+]ccn21)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000525106736 869986869 /nfs/dbraw/zinc/98/68/69/869986869.db2.gz VOFQEZYGJBPXRK-IBGZPJMESA-N 2 2 388.393 3.727 20 0 GHADLP O=C(Nc1cccc2[nH+]ccn21)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000525106736 869986880 /nfs/dbraw/zinc/98/68/80/869986880.db2.gz VOFQEZYGJBPXRK-IBGZPJMESA-N 2 2 388.393 3.727 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)CC2)c1 ZINC000462793605 870094625 /nfs/dbraw/zinc/09/46/25/870094625.db2.gz STJVTRMFVZPFBO-XPWALMASSA-N 2 2 385.596 3.692 20 0 GHADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 ZINC000525245496 870212626 /nfs/dbraw/zinc/21/26/26/870212626.db2.gz QBCZXGMHRISLSI-INIZCTEOSA-N 2 2 387.524 3.519 20 0 GHADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC([NH+](C)CC(F)F)CC2)cc1 ZINC000746325145 870291940 /nfs/dbraw/zinc/29/19/40/870291940.db2.gz UDSCZXZPHMOGPB-UHFFFAOYSA-N 2 2 381.511 3.720 20 0 GHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC([NH+](C)CC(F)F)CC2)cc1 ZINC000746325145 870291955 /nfs/dbraw/zinc/29/19/55/870291955.db2.gz UDSCZXZPHMOGPB-UHFFFAOYSA-N 2 2 381.511 3.720 20 0 GHADLP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc1 ZINC000746325145 870291969 /nfs/dbraw/zinc/29/19/69/870291969.db2.gz UDSCZXZPHMOGPB-UHFFFAOYSA-N 2 2 381.511 3.720 20 0 GHADLP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc1 ZINC000746325145 870291977 /nfs/dbraw/zinc/29/19/77/870291977.db2.gz UDSCZXZPHMOGPB-UHFFFAOYSA-N 2 2 381.511 3.720 20 0 GHADLP CN(C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C(c1ccccc1)c1ccccc1 ZINC000248168111 870307312 /nfs/dbraw/zinc/30/73/12/870307312.db2.gz UEWGZYQMGVTZMO-XZOQPEGZSA-N 2 2 391.559 3.651 20 0 GHADLP CN(C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C(c1ccccc1)c1ccccc1 ZINC000248168111 870307320 /nfs/dbraw/zinc/30/73/20/870307320.db2.gz UEWGZYQMGVTZMO-XZOQPEGZSA-N 2 2 391.559 3.651 20 0 GHADLP CN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C(c1ccccc1)c1ccccc1 ZINC000248168111 870307337 /nfs/dbraw/zinc/30/73/37/870307337.db2.gz UEWGZYQMGVTZMO-XZOQPEGZSA-N 2 2 391.559 3.651 20 0 GHADLP CN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C(c1ccccc1)c1ccccc1 ZINC000248168111 870307356 /nfs/dbraw/zinc/30/73/56/870307356.db2.gz UEWGZYQMGVTZMO-XZOQPEGZSA-N 2 2 391.559 3.651 20 0 GHADLP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248416896 870396114 /nfs/dbraw/zinc/39/61/14/870396114.db2.gz QHXZHBINMBWXEJ-MHTWAQMVSA-N 2 2 379.552 3.737 20 0 GHADLP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248416896 870396133 /nfs/dbraw/zinc/39/61/33/870396133.db2.gz QHXZHBINMBWXEJ-MHTWAQMVSA-N 2 2 379.552 3.737 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC2CC2)c(F)c1 ZINC001192575998 870508638 /nfs/dbraw/zinc/50/86/38/870508638.db2.gz ZVDJBFOZHSTBOP-HOYKHHGWSA-N 2 2 398.522 3.902 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC2CC2)c(F)c1 ZINC001192575998 870508645 /nfs/dbraw/zinc/50/86/45/870508645.db2.gz ZVDJBFOZHSTBOP-HOYKHHGWSA-N 2 2 398.522 3.902 20 0 GHADLP Cc1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1C(F)(F)F ZINC000122119403 882424458 /nfs/dbraw/zinc/42/44/58/882424458.db2.gz SAMWSLISTXVPFA-UHFFFAOYSA-N 2 2 398.473 3.694 20 0 GHADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1Br ZINC000540160134 870624014 /nfs/dbraw/zinc/62/40/14/870624014.db2.gz JUVMFXUXOPMMDR-FHWLQOOXSA-N 2 2 381.358 3.868 20 0 GHADLP CC[NH+](CC)CCOc1ccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000766399439 870701132 /nfs/dbraw/zinc/70/11/32/870701132.db2.gz OVLJJJBMVBMLFN-UHFFFAOYSA-N 2 2 396.539 3.914 20 0 GHADLP CCCCc1nc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000540247286 870851646 /nfs/dbraw/zinc/85/16/46/870851646.db2.gz KZQNPBBHTLQUMV-ROUUACIJSA-N 2 2 395.613 3.576 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(C)cc2Cl)[C@@H](C)C1 ZINC000249509016 870852071 /nfs/dbraw/zinc/85/20/71/870852071.db2.gz ZIZAMRJKCDNIIT-SCTDSRPQSA-N 2 2 395.975 3.702 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(C)cc2Cl)[C@@H](C)C1 ZINC000249509016 870852080 /nfs/dbraw/zinc/85/20/80/870852080.db2.gz ZIZAMRJKCDNIIT-SCTDSRPQSA-N 2 2 395.975 3.702 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000463098620 870921861 /nfs/dbraw/zinc/92/18/61/870921861.db2.gz LIUZTDVEYNIEMI-LJQANCHMSA-N 2 2 397.588 3.866 20 0 GHADLP COC(=O)COc1c(C)cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1C ZINC000447075762 870993905 /nfs/dbraw/zinc/99/39/05/870993905.db2.gz FFZBUZHIASKUKD-UHFFFAOYSA-N 2 2 398.503 3.602 20 0 GHADLP CC[NH+](CC)CCCC1CC[NH+](Cn2c(-c3ccccn3)csc2=O)CC1 ZINC000181458063 871039864 /nfs/dbraw/zinc/03/98/64/871039864.db2.gz MPCKVMYVKAITJK-UHFFFAOYSA-N 2 2 388.581 3.763 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000463167165 871063605 /nfs/dbraw/zinc/06/36/05/871063605.db2.gz DJJPGFHTXYZFEN-ROUUACIJSA-N 2 2 375.582 3.608 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000463167165 871063625 /nfs/dbraw/zinc/06/36/25/871063625.db2.gz DJJPGFHTXYZFEN-ROUUACIJSA-N 2 2 375.582 3.608 20 0 GHADLP O=C(C[NH2+]C1(c2ccccc2)CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000540360580 871119554 /nfs/dbraw/zinc/11/95/54/871119554.db2.gz YHJWUPOQTFEVEE-NRFANRHFSA-N 2 2 397.950 3.872 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C(=O)c3ccc(Br)cc3)CC1)C2 ZINC001169142395 871250870 /nfs/dbraw/zinc/25/08/70/871250870.db2.gz CGGJIENQKGTOAO-BWTSREIZSA-N 2 2 391.353 3.969 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C(=O)c3ccc(Br)cc3)CC1)C2 ZINC001169142395 871250887 /nfs/dbraw/zinc/25/08/87/871250887.db2.gz CGGJIENQKGTOAO-BWTSREIZSA-N 2 2 391.353 3.969 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccnc(OC4CCC4)c3)CC2)cc1 ZINC000463280016 871320643 /nfs/dbraw/zinc/32/06/43/871320643.db2.gz LAHMHENOVDJGEC-UHFFFAOYSA-N 2 2 383.511 3.949 20 0 GHADLP COC[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC001193898529 871385601 /nfs/dbraw/zinc/38/56/01/871385601.db2.gz NVYZRXAZHDJNJP-QFIPXVFZSA-N 2 2 387.955 3.829 20 0 GHADLP C[NH+](C)CCOc1ccccc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000122333388 882511425 /nfs/dbraw/zinc/51/14/25/882511425.db2.gz ASTUZFULHYJFFM-UHFFFAOYSA-N 3 2 399.554 3.563 20 0 GHADLP CC(C)Oc1ccccc1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001194242249 871580902 /nfs/dbraw/zinc/58/09/02/871580902.db2.gz VKIRSTYTFKDWQQ-DEOSSOPVSA-N 2 2 393.575 3.866 20 0 GHADLP CC(C)Oc1ccccc1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001194242249 871580921 /nfs/dbraw/zinc/58/09/21/871580921.db2.gz VKIRSTYTFKDWQQ-DEOSSOPVSA-N 2 2 393.575 3.866 20 0 GHADLP Cc1[nH]c2ccc(N[C@@H]3C[C@H](C(=O)OCc4ccccc4)CCC[NH2+]3)cc2[nH+]1 ZINC001169519167 871591878 /nfs/dbraw/zinc/59/18/78/871591878.db2.gz NITVCNQKCUPFSA-DYESRHJHSA-N 2 2 378.476 3.742 20 0 GHADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@@H]2CC3(CCC3)CO2)o1 ZINC001194262523 871597775 /nfs/dbraw/zinc/59/77/75/871597775.db2.gz ORDPCKGYWXSDEU-INIZCTEOSA-N 2 2 394.313 3.700 20 0 GHADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@@H]2CC3(CCC3)CO2)o1 ZINC001194262523 871597786 /nfs/dbraw/zinc/59/77/86/871597786.db2.gz ORDPCKGYWXSDEU-INIZCTEOSA-N 2 2 394.313 3.700 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc2cc(Cl)ccc2o1 ZINC000540594494 871652265 /nfs/dbraw/zinc/65/22/65/871652265.db2.gz WJHUEINYNGFVSH-PBHICJAKSA-N 2 2 377.916 3.680 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc2cc(Cl)ccc2o1 ZINC000540594494 871652274 /nfs/dbraw/zinc/65/22/74/871652274.db2.gz WJHUEINYNGFVSH-PBHICJAKSA-N 2 2 377.916 3.680 20 0 GHADLP c1ccc(C(c2ccccc2)N2CC([NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168351078 882547366 /nfs/dbraw/zinc/54/73/66/882547366.db2.gz BIOSYNKHPXGTGL-UHFFFAOYSA-N 2 2 375.560 3.924 20 0 GHADLP Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1S(C)(=O)=O ZINC000447556850 871849710 /nfs/dbraw/zinc/84/97/10/871849710.db2.gz JRZCPNRPTGYFQO-KOUNCHBCSA-N 2 2 398.572 3.684 20 0 GHADLP Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1S(C)(=O)=O ZINC000447556850 871849727 /nfs/dbraw/zinc/84/97/27/871849727.db2.gz JRZCPNRPTGYFQO-KOUNCHBCSA-N 2 2 398.572 3.684 20 0 GHADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000447566049 871876054 /nfs/dbraw/zinc/87/60/54/871876054.db2.gz PVPJRGOGRMFPSJ-ZETOZRRWSA-N 2 2 392.712 3.763 20 0 GHADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000447566049 871876075 /nfs/dbraw/zinc/87/60/75/871876075.db2.gz PVPJRGOGRMFPSJ-ZETOZRRWSA-N 2 2 392.712 3.763 20 0 GHADLP C[C@](CO)([NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1)c1cccc(O)c1 ZINC001194765325 871946734 /nfs/dbraw/zinc/94/67/34/871946734.db2.gz YTSOREZTHSIKEX-XMMPIXPASA-N 2 2 382.548 3.534 20 0 GHADLP COc1ccccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CCCC1 ZINC000552098690 872055992 /nfs/dbraw/zinc/05/59/92/872055992.db2.gz LOXQGTRQNXMOFZ-JLVXQPSGSA-N 2 2 399.579 3.600 20 0 GHADLP COc1ccccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CCCC1 ZINC000552098690 872056000 /nfs/dbraw/zinc/05/60/00/872056000.db2.gz LOXQGTRQNXMOFZ-JLVXQPSGSA-N 2 2 399.579 3.600 20 0 GHADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000093693599 872348693 /nfs/dbraw/zinc/34/86/93/872348693.db2.gz QJNAQPAPVCZOFB-OAHLLOKOSA-N 2 2 379.342 3.889 20 0 GHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000093693599 872348707 /nfs/dbraw/zinc/34/87/07/872348707.db2.gz QJNAQPAPVCZOFB-OAHLLOKOSA-N 2 2 379.342 3.889 20 0 GHADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000463711440 872379343 /nfs/dbraw/zinc/37/93/43/872379343.db2.gz RKSAMINSAQRQIH-SFHVURJKSA-N 2 2 395.551 3.986 20 0 GHADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000463711440 872379363 /nfs/dbraw/zinc/37/93/63/872379363.db2.gz RKSAMINSAQRQIH-SFHVURJKSA-N 2 2 395.551 3.986 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000526998576 872393344 /nfs/dbraw/zinc/39/33/44/872393344.db2.gz RBUNVKJHYUAIFF-UHFFFAOYSA-N 2 2 398.457 3.752 20 0 GHADLP CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC001195534427 872473647 /nfs/dbraw/zinc/47/36/47/872473647.db2.gz CSVVHAJVLMYBTE-HXUWFJFHSA-N 2 2 386.565 3.559 20 0 GHADLP CC(C)(C)[C@H](NC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC001195534427 872473660 /nfs/dbraw/zinc/47/36/60/872473660.db2.gz CSVVHAJVLMYBTE-HXUWFJFHSA-N 2 2 386.565 3.559 20 0 GHADLP Cc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c2ccccc2)cc1 ZINC000552339843 872497631 /nfs/dbraw/zinc/49/76/31/872497631.db2.gz FQPPVMDNPHBXDL-UNPSAXADSA-N 2 2 391.559 3.758 20 0 GHADLP Cc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c2ccccc2)cc1 ZINC000552339843 872497637 /nfs/dbraw/zinc/49/76/37/872497637.db2.gz FQPPVMDNPHBXDL-UNPSAXADSA-N 2 2 391.559 3.758 20 0 GHADLP CCCC[NH+]1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000151407171 872829253 /nfs/dbraw/zinc/82/92/53/872829253.db2.gz WUCXSTOYXRCGRX-VXKWHMMOSA-N 2 2 395.551 3.675 20 0 GHADLP CCCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000152911209 872964754 /nfs/dbraw/zinc/96/47/54/872964754.db2.gz PBDUWXVMQRAMJG-UZKOGDIHSA-N 2 2 386.584 3.856 20 0 GHADLP CCCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000152911209 872964762 /nfs/dbraw/zinc/96/47/62/872964762.db2.gz PBDUWXVMQRAMJG-UZKOGDIHSA-N 2 2 386.584 3.856 20 0 GHADLP Brc1sccc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000527631581 873380745 /nfs/dbraw/zinc/38/07/45/873380745.db2.gz LXTFIRQSCOAWDW-UHFFFAOYSA-N 2 2 381.339 3.633 20 0 GHADLP CCOc1cc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c(F)cc1OC ZINC000527636738 873388251 /nfs/dbraw/zinc/38/82/51/873388251.db2.gz RENZBPDBKQOFPV-UHFFFAOYSA-N 2 2 383.467 3.810 20 0 GHADLP Clc1cccc(-c2noc(CC[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)n2)c1 ZINC000541372933 873467489 /nfs/dbraw/zinc/46/74/89/873467489.db2.gz DSKZTUCCJAOAKI-UHFFFAOYSA-N 2 2 385.880 3.970 20 0 GHADLP O=C(NC1CCCCC1)N1CCC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000541387865 873492709 /nfs/dbraw/zinc/49/27/09/873492709.db2.gz TWBQPZWEQPZYRD-UHFFFAOYSA-N 2 2 387.553 3.530 20 0 GHADLP Cc1cc(Br)cn2c(CN3CC[C@H](C[N@H+](C)CC4CC4)C3)c[nH+]c12 ZINC000541535551 873824104 /nfs/dbraw/zinc/82/41/04/873824104.db2.gz FIWOPOXRWFETEQ-MRXNPFEDSA-N 2 2 391.357 3.569 20 0 GHADLP Cc1cc(Br)cn2c(CN3CC[C@H](C[N@@H+](C)CC4CC4)C3)c[nH+]c12 ZINC000541535551 873824115 /nfs/dbraw/zinc/82/41/15/873824115.db2.gz FIWOPOXRWFETEQ-MRXNPFEDSA-N 2 2 391.357 3.569 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CCCC3(CC(F)C3)CC2)cc1 ZINC001198019636 874154671 /nfs/dbraw/zinc/15/46/71/874154671.db2.gz ZKYAMSOTWQFSCT-UHFFFAOYSA-N 2 2 389.559 3.815 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CCCC3(CC(F)C3)CC2)cc1 ZINC001198019636 874154677 /nfs/dbraw/zinc/15/46/77/874154677.db2.gz ZKYAMSOTWQFSCT-UHFFFAOYSA-N 2 2 389.559 3.815 20 0 GHADLP Cc1ccc(CCCO)c(NC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)c1 ZINC001198031483 874190059 /nfs/dbraw/zinc/19/00/59/874190059.db2.gz VRUDGUMWZUHOAV-UHFFFAOYSA-N 2 2 397.563 3.556 20 0 GHADLP Cc1ccc(CCCO)c(NC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)c1 ZINC001198031483 874190069 /nfs/dbraw/zinc/19/00/69/874190069.db2.gz VRUDGUMWZUHOAV-UHFFFAOYSA-N 2 2 397.563 3.556 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NC(C)(C)c2cccc(F)c2)cc1 ZINC001198036994 874192359 /nfs/dbraw/zinc/19/23/59/874192359.db2.gz RQFMFTROLNGPLP-UHFFFAOYSA-N 2 2 385.527 3.874 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NC(C)(C)c2cccc(F)c2)cc1 ZINC001198036994 874192366 /nfs/dbraw/zinc/19/23/66/874192366.db2.gz RQFMFTROLNGPLP-UHFFFAOYSA-N 2 2 385.527 3.874 20 0 GHADLP C[C@@H](N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H](c1ccccc1)[NH+](C)C ZINC000769988300 874388407 /nfs/dbraw/zinc/38/84/07/874388407.db2.gz KLCSKXKEILXUIA-TYJFDUFHSA-N 2 2 381.564 3.557 20 0 GHADLP C[C@@H](N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H](c1ccccc1)[NH+](C)C ZINC000769988300 874388420 /nfs/dbraw/zinc/38/84/20/874388420.db2.gz KLCSKXKEILXUIA-TYJFDUFHSA-N 2 2 381.564 3.557 20 0 GHADLP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000449079518 874460720 /nfs/dbraw/zinc/46/07/20/874460720.db2.gz ZCHLEGGAEKWGFL-INIZCTEOSA-N 2 2 378.289 3.941 20 0 GHADLP COc1ccc(-n2cc(C[NH2+]C3CC[NH+]([C@@H](C)c4ccncc4)CC3)cn2)cc1 ZINC000449201665 874600845 /nfs/dbraw/zinc/60/08/45/874600845.db2.gz DFEOIQZMXILMKV-SFHVURJKSA-N 2 2 391.519 3.591 20 0 GHADLP OCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000449439974 874893274 /nfs/dbraw/zinc/89/32/74/874893274.db2.gz XXBOVDPAIKSXPX-SFHVURJKSA-N 2 2 379.426 3.783 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)CCc3ccc(O)cc3)CC2)cc1 ZINC000449527109 875005568 /nfs/dbraw/zinc/00/55/68/875005568.db2.gz ZNFNBOHBYFXCJH-SFHVURJKSA-N 2 2 395.547 3.926 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)Cc3ccccc3F)CC2)cc1 ZINC000449527094 875005758 /nfs/dbraw/zinc/00/57/58/875005758.db2.gz ZJRDYJKIEWAKIK-QGZVFWFLSA-N 2 2 383.511 3.969 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178635750 882928395 /nfs/dbraw/zinc/92/83/95/882928395.db2.gz MJQCYGPULDQXSI-BWKNWUBXSA-N 3 2 392.591 3.794 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178635750 882928400 /nfs/dbraw/zinc/92/84/00/882928400.db2.gz MJQCYGPULDQXSI-BWKNWUBXSA-N 3 2 392.591 3.794 20 0 GHADLP OC[C@@]1([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)CCc2ccccc21 ZINC001201541307 875737212 /nfs/dbraw/zinc/73/72/12/875737212.db2.gz BTLKWDZZZZUYCR-QFIPXVFZSA-N 2 2 397.906 3.539 20 0 GHADLP CSCCC[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001201697612 875825899 /nfs/dbraw/zinc/82/58/99/875825899.db2.gz JYDMNFBGEPHSBC-UHFFFAOYSA-N 2 2 385.618 3.535 20 0 GHADLP CSCCC[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001201697612 875825911 /nfs/dbraw/zinc/82/59/11/875825911.db2.gz JYDMNFBGEPHSBC-UHFFFAOYSA-N 2 2 385.618 3.535 20 0 GHADLP CC1(C)C[C@H]([NH2+]CCCNC(=O)/C=C/c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001202118793 876007881 /nfs/dbraw/zinc/00/78/81/876007881.db2.gz JBZVNYUVIMUNEQ-NSFRLNINSA-N 2 2 391.559 3.849 20 0 GHADLP CC1(C)C[C@H]([NH2+]CCCNC(=O)/C=C/c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001202118793 876007898 /nfs/dbraw/zinc/00/78/98/876007898.db2.gz JBZVNYUVIMUNEQ-NSFRLNINSA-N 2 2 391.559 3.849 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000179456034 883000634 /nfs/dbraw/zinc/00/06/34/883000634.db2.gz MTLWDGPDFQAGPZ-VGSWGCGISA-N 2 2 394.494 3.918 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000179456034 883000653 /nfs/dbraw/zinc/00/06/53/883000653.db2.gz MTLWDGPDFQAGPZ-VGSWGCGISA-N 2 2 394.494 3.918 20 0 GHADLP Cc1ccc([C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc2)cc1 ZINC000492209974 876442960 /nfs/dbraw/zinc/44/29/60/876442960.db2.gz MCXCBLHJQFHJLX-DEOSSOPVSA-N 2 2 379.548 3.617 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173974809 876755004 /nfs/dbraw/zinc/75/50/04/876755004.db2.gz JBZKAHYPLJSJLP-KNQAVFIVSA-N 2 2 397.538 3.627 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173974809 876755016 /nfs/dbraw/zinc/75/50/16/876755016.db2.gz JBZKAHYPLJSJLP-KNQAVFIVSA-N 2 2 397.538 3.627 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173974809 876755028 /nfs/dbraw/zinc/75/50/28/876755028.db2.gz JBZKAHYPLJSJLP-KNQAVFIVSA-N 2 2 397.538 3.627 20 0 GHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173974809 876755035 /nfs/dbraw/zinc/75/50/35/876755035.db2.gz JBZKAHYPLJSJLP-KNQAVFIVSA-N 2 2 397.538 3.627 20 0 GHADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000786581741 876770144 /nfs/dbraw/zinc/77/01/44/876770144.db2.gz VPWXHYSDNXZOHG-DNVCBOLYSA-N 2 2 381.358 3.991 20 0 GHADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000786581741 876770157 /nfs/dbraw/zinc/77/01/57/876770157.db2.gz VPWXHYSDNXZOHG-DNVCBOLYSA-N 2 2 381.358 3.991 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000450735364 876832514 /nfs/dbraw/zinc/83/25/14/876832514.db2.gz AUFPZZQITUMTNA-HOTGVXAUSA-N 2 2 380.458 3.692 20 0 GHADLP COC[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cccc(OC)c1 ZINC000850362887 876849716 /nfs/dbraw/zinc/84/97/16/876849716.db2.gz TVNACFCYEQYRFM-QHCPKHFHSA-N 2 2 383.536 3.707 20 0 GHADLP COC(=O)CC(C)(C)C[C@H](C)[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000850453567 876937679 /nfs/dbraw/zinc/93/76/79/876937679.db2.gz OAOQQWDHCMDRMS-KRWDZBQOSA-N 2 2 375.557 3.997 20 0 GHADLP Cc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(Cl)c1 ZINC000174283943 876944093 /nfs/dbraw/zinc/94/40/93/876944093.db2.gz KQJYCKVTXIFYKS-UHFFFAOYSA-N 2 2 378.948 3.720 20 0 GHADLP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000134877914 883085687 /nfs/dbraw/zinc/08/56/87/883085687.db2.gz NRIHNGBTGIFXAW-VOFXCDAESA-N 2 2 383.580 3.981 20 0 GHADLP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000134877914 883085693 /nfs/dbraw/zinc/08/56/93/883085693.db2.gz NRIHNGBTGIFXAW-VOFXCDAESA-N 2 2 383.580 3.981 20 0 GHADLP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000134877914 883085711 /nfs/dbraw/zinc/08/57/11/883085711.db2.gz NRIHNGBTGIFXAW-VOFXCDAESA-N 2 2 383.580 3.981 20 0 GHADLP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000134877914 883085728 /nfs/dbraw/zinc/08/57/28/883085728.db2.gz NRIHNGBTGIFXAW-VOFXCDAESA-N 2 2 383.580 3.981 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](O)c3cc(F)cc(Cl)c3)CC2)cc1 ZINC000787025278 877101579 /nfs/dbraw/zinc/10/15/79/877101579.db2.gz KLFQETICYSXVAI-NRFANRHFSA-N 2 2 391.918 3.837 20 0 GHADLP Brc1ccc(-c2c[nH]c(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)n2)cc1 ZINC000666995692 877394947 /nfs/dbraw/zinc/39/49/47/877394947.db2.gz WPJQTVWAIFQIRP-HNNXBMFYSA-N 2 2 375.314 3.604 20 0 GHADLP Cc1c([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cnn1C(C)(C)C ZINC000530328786 877560023 /nfs/dbraw/zinc/56/00/23/877560023.db2.gz QNZHWBRNZMZVPM-PGRDOPGGSA-N 2 2 383.584 3.586 20 0 GHADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)oc1C ZINC000667006645 877606737 /nfs/dbraw/zinc/60/67/37/877606737.db2.gz HLJQHJIVQYNAMJ-VXKWHMMOSA-N 3 2 382.552 3.586 20 0 GHADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCN[C@H](c4ccccc4)C3)CC2)oc1C ZINC000667006645 877606740 /nfs/dbraw/zinc/60/67/40/877606740.db2.gz HLJQHJIVQYNAMJ-VXKWHMMOSA-N 2 2 382.552 3.586 20 0 GHADLP CC[C@@H](C)[C@@H](C)N(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000175588228 877783099 /nfs/dbraw/zinc/78/30/99/877783099.db2.gz DZKHRMTVTHRJDA-RTBURBONSA-N 2 2 378.605 3.545 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)[C@@H](C)C1 ZINC000245433537 877871051 /nfs/dbraw/zinc/87/10/51/877871051.db2.gz PHQQWQSYTQUJAR-LEDOBFOHSA-N 2 2 399.604 3.924 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)[C@@H](C)C1 ZINC000245433537 877871064 /nfs/dbraw/zinc/87/10/64/877871064.db2.gz PHQQWQSYTQUJAR-LEDOBFOHSA-N 2 2 399.604 3.924 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)[C@@H](C)C1 ZINC000245433537 877871078 /nfs/dbraw/zinc/87/10/78/877871078.db2.gz PHQQWQSYTQUJAR-LEDOBFOHSA-N 2 2 399.604 3.924 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)[C@@H](C)C1 ZINC000245433537 877871090 /nfs/dbraw/zinc/87/10/90/877871090.db2.gz PHQQWQSYTQUJAR-LEDOBFOHSA-N 2 2 399.604 3.924 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000851880198 877956673 /nfs/dbraw/zinc/95/66/73/877956673.db2.gz AZGAYXZIKRWHAR-UHFFFAOYSA-N 2 2 384.524 3.698 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000851880198 877956689 /nfs/dbraw/zinc/95/66/89/877956689.db2.gz AZGAYXZIKRWHAR-UHFFFAOYSA-N 2 2 384.524 3.698 20 0 GHADLP C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000530524302 877977040 /nfs/dbraw/zinc/97/70/40/877977040.db2.gz LZRQZCIWHOYMEB-CEXWTWQISA-N 2 2 398.551 3.809 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC[C@H]21 ZINC000245528464 878052387 /nfs/dbraw/zinc/05/23/87/878052387.db2.gz BKXIPYBCMDCXMT-XWIAVFTESA-N 2 2 382.335 3.515 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC[C@H]21 ZINC000245528464 878052394 /nfs/dbraw/zinc/05/23/94/878052394.db2.gz BKXIPYBCMDCXMT-XWIAVFTESA-N 2 2 382.335 3.515 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC[C@H]21 ZINC000245528464 878052411 /nfs/dbraw/zinc/05/24/11/878052411.db2.gz BKXIPYBCMDCXMT-XWIAVFTESA-N 2 2 382.335 3.515 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC[C@H]21 ZINC000245528464 878052422 /nfs/dbraw/zinc/05/24/22/878052422.db2.gz BKXIPYBCMDCXMT-XWIAVFTESA-N 2 2 382.335 3.515 20 0 GHADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451538663 878097686 /nfs/dbraw/zinc/09/76/86/878097686.db2.gz TWXCGDYHDCWGNL-XMSQKQJNSA-N 2 2 393.522 3.682 20 0 GHADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451538663 878097706 /nfs/dbraw/zinc/09/77/06/878097706.db2.gz TWXCGDYHDCWGNL-XMSQKQJNSA-N 2 2 393.522 3.682 20 0 GHADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451538663 878097725 /nfs/dbraw/zinc/09/77/25/878097725.db2.gz TWXCGDYHDCWGNL-XMSQKQJNSA-N 2 2 393.522 3.682 20 0 GHADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451538663 878097728 /nfs/dbraw/zinc/09/77/28/878097728.db2.gz TWXCGDYHDCWGNL-XMSQKQJNSA-N 2 2 393.522 3.682 20 0 GHADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3COCc4cccc(Cl)c43)cc2)CC1 ZINC000788539881 878135172 /nfs/dbraw/zinc/13/51/72/878135172.db2.gz OUUJSJMUEWMJSS-JOCHJYFZSA-N 2 2 399.966 3.839 20 0 GHADLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245588979 878158702 /nfs/dbraw/zinc/15/87/02/878158702.db2.gz KHZPXFSRKGYTTP-ZTFGCOKTSA-N 2 2 392.425 3.590 20 0 GHADLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245588979 878158714 /nfs/dbraw/zinc/15/87/14/878158714.db2.gz KHZPXFSRKGYTTP-ZTFGCOKTSA-N 2 2 392.425 3.590 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000788586946 878187434 /nfs/dbraw/zinc/18/74/34/878187434.db2.gz GTPOCRNCHZTGKA-QZTJIDSGSA-N 2 2 376.545 3.899 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245691404 878396522 /nfs/dbraw/zinc/39/65/22/878396522.db2.gz QJRHSNCZUNLDSD-ZRGWGRIASA-N 2 2 392.906 3.606 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245691404 878396537 /nfs/dbraw/zinc/39/65/37/878396537.db2.gz QJRHSNCZUNLDSD-ZRGWGRIASA-N 2 2 392.906 3.606 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)c(C)c1 ZINC000460704037 878411466 /nfs/dbraw/zinc/41/14/66/878411466.db2.gz GSJKMCJJLHFLSP-LEWJYISDSA-N 2 2 382.552 3.868 20 0 GHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nc(C[NH+]3CCC[C@H](C)C3)cs2)C[C@H]1C ZINC000530777401 878474981 /nfs/dbraw/zinc/47/49/81/878474981.db2.gz FZCUMBKCMXLSOO-JZXOWHBKSA-N 2 2 393.601 3.712 20 0 GHADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2nc(C[NH+]3CCC[C@H](C)C3)cs2)C[C@H]1C ZINC000530777401 878474994 /nfs/dbraw/zinc/47/49/94/878474994.db2.gz FZCUMBKCMXLSOO-JZXOWHBKSA-N 2 2 393.601 3.712 20 0 GHADLP CC[NH+]1CC[C@H](N(C)C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C[C@H]1C ZINC000530777401 878475005 /nfs/dbraw/zinc/47/50/05/878475005.db2.gz FZCUMBKCMXLSOO-JZXOWHBKSA-N 2 2 393.601 3.712 20 0 GHADLP CC[NH+]1CC[C@H](N(C)C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C[C@H]1C ZINC000530777401 878475015 /nfs/dbraw/zinc/47/50/15/878475015.db2.gz FZCUMBKCMXLSOO-JZXOWHBKSA-N 2 2 393.601 3.712 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000245754436 878547309 /nfs/dbraw/zinc/54/73/09/878547309.db2.gz YESYRJYHCYAXLS-QXAKKESOSA-N 2 2 377.598 3.647 20 0 GHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000245754436 878547321 /nfs/dbraw/zinc/54/73/21/878547321.db2.gz YESYRJYHCYAXLS-QXAKKESOSA-N 2 2 377.598 3.647 20 0 GHADLP C[C@H](CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[N@H+](C)Cc1ccccc1 ZINC000530835978 878577555 /nfs/dbraw/zinc/57/75/55/878577555.db2.gz CSSPFABJOXQIQM-LJQANCHMSA-N 2 2 376.504 3.572 20 0 GHADLP C[C@H](CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000530835978 878577575 /nfs/dbraw/zinc/57/75/75/878577575.db2.gz CSSPFABJOXQIQM-LJQANCHMSA-N 2 2 376.504 3.572 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnn(-c2ccccc2)c1 ZINC000530949602 878823457 /nfs/dbraw/zinc/82/34/57/878823457.db2.gz JIFIHUPTWFAUIN-UHFFFAOYSA-N 3 2 395.595 3.500 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnn(-c2ccccc2)c1 ZINC000530949602 878823478 /nfs/dbraw/zinc/82/34/78/878823478.db2.gz JIFIHUPTWFAUIN-UHFFFAOYSA-N 3 2 395.595 3.500 20 0 GHADLP C[C@]1(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000616561676 878970949 /nfs/dbraw/zinc/97/09/49/878970949.db2.gz FIFBPFXOTVFURV-QPPBQGQZSA-N 2 2 388.515 3.713 20 0 GHADLP C[C@]1(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000616561676 878970963 /nfs/dbraw/zinc/97/09/63/878970963.db2.gz FIFBPFXOTVFURV-QPPBQGQZSA-N 2 2 388.515 3.713 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000531105503 879138543 /nfs/dbraw/zinc/13/85/43/879138543.db2.gz LYSDMMWFQPNSJX-FCHUYYIVSA-N 2 2 385.596 3.786 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000531105503 879138553 /nfs/dbraw/zinc/13/85/53/879138553.db2.gz LYSDMMWFQPNSJX-FCHUYYIVSA-N 2 2 385.596 3.786 20 0 GHADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cnc(C3CCCCC3)s2)nc[nH+]1 ZINC000531213215 879353993 /nfs/dbraw/zinc/35/39/93/879353993.db2.gz HDGZOXRAMFVRMV-MRXNPFEDSA-N 2 2 386.569 3.781 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000246410203 879534635 /nfs/dbraw/zinc/53/46/35/879534635.db2.gz GTSBEMLLWVAJTN-ZVDOUQERSA-N 2 2 399.579 3.889 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000246410203 879534642 /nfs/dbraw/zinc/53/46/42/879534642.db2.gz GTSBEMLLWVAJTN-ZVDOUQERSA-N 2 2 399.579 3.889 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000246410203 879534657 /nfs/dbraw/zinc/53/46/57/879534657.db2.gz GTSBEMLLWVAJTN-ZVDOUQERSA-N 2 2 399.579 3.889 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000246410203 879534674 /nfs/dbraw/zinc/53/46/74/879534674.db2.gz GTSBEMLLWVAJTN-ZVDOUQERSA-N 2 2 399.579 3.889 20 0 GHADLP Cc1cc(Br)cn2c(CN3CCC[C@H]([NH+]4CCCC4)CC3)c[nH+]c12 ZINC000542468575 879553080 /nfs/dbraw/zinc/55/30/80/879553080.db2.gz HHDGINYXOAZSKE-KRWDZBQOSA-N 2 2 391.357 3.856 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccsc1 ZINC000246856003 879829873 /nfs/dbraw/zinc/82/98/73/879829873.db2.gz AROWKQCYXHBXEK-QRQLOZEOSA-N 2 2 389.569 3.620 20 0 GHADLP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247243629 879951919 /nfs/dbraw/zinc/95/19/19/879951919.db2.gz XUFKYPJGBICJIE-NFBKMPQASA-N 2 2 397.563 3.806 20 0 GHADLP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247243629 879951932 /nfs/dbraw/zinc/95/19/32/879951932.db2.gz XUFKYPJGBICJIE-NFBKMPQASA-N 2 2 397.563 3.806 20 0 GHADLP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000183608130 880126406 /nfs/dbraw/zinc/12/64/06/880126406.db2.gz IEJHUSCOEJGKIK-ZWKOTPCHSA-N 2 2 392.503 3.524 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000183750746 880144666 /nfs/dbraw/zinc/14/46/66/880144666.db2.gz JBHQXGSOBLCDEO-CQSZACIVSA-N 2 2 375.314 3.554 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453101318 880465661 /nfs/dbraw/zinc/46/56/61/880465661.db2.gz YUUWBRWKYXJPTQ-GUDVDZBRSA-N 2 2 392.469 3.978 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453101318 880465675 /nfs/dbraw/zinc/46/56/75/880465675.db2.gz YUUWBRWKYXJPTQ-GUDVDZBRSA-N 2 2 392.469 3.978 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc(-c2ccccc2)nn1C ZINC000453168316 880569566 /nfs/dbraw/zinc/56/95/66/880569566.db2.gz FCRVOCKPJNCKPC-FXAWDEMLSA-N 2 2 390.535 3.796 20 0 GHADLP CCC1(CC)[C@@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C[C@@H]1OC ZINC000453324456 880795099 /nfs/dbraw/zinc/79/50/99/880795099.db2.gz LGQPRZULUVSOKH-VXKWHMMOSA-N 2 2 387.568 3.793 20 0 GHADLP C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531942538 880799802 /nfs/dbraw/zinc/79/98/02/880799802.db2.gz ZKOMDBUFZZKMQI-XMSQKQJNSA-N 2 2 378.520 3.801 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000531962780 880827435 /nfs/dbraw/zinc/82/74/35/880827435.db2.gz MVYAPEINNPWSLO-HZPDHXFCSA-N 2 2 381.948 3.776 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453372144 880856745 /nfs/dbraw/zinc/85/67/45/880856745.db2.gz OACOIPVFACVLOY-ZXNZYJFHSA-N 2 2 379.508 3.917 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C2 ZINC000476803862 883160203 /nfs/dbraw/zinc/16/02/03/883160203.db2.gz ZYFWSOUGVOPYTC-KNQAVFIVSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C2 ZINC000476803862 883160208 /nfs/dbraw/zinc/16/02/08/883160208.db2.gz ZYFWSOUGVOPYTC-KNQAVFIVSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)CC2 ZINC000476803862 883160212 /nfs/dbraw/zinc/16/02/12/883160212.db2.gz ZYFWSOUGVOPYTC-KNQAVFIVSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)CC2 ZINC000476803862 883160219 /nfs/dbraw/zinc/16/02/19/883160219.db2.gz ZYFWSOUGVOPYTC-KNQAVFIVSA-N 2 2 394.563 3.665 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1NC(C)=O ZINC000181590498 883164976 /nfs/dbraw/zinc/16/49/76/883164976.db2.gz CZNQSHPYVDDTNY-SJORKVTESA-N 2 2 396.535 3.925 20 0 GHADLP OCC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCCc2ccccc21 ZINC000551387835 883782924 /nfs/dbraw/zinc/78/29/24/883782924.db2.gz VZGZMYQXVVFDSZ-ZCYQVOJMSA-N 2 2 394.559 3.649 20 0 GHADLP OCC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCCc2ccccc21 ZINC000551387835 883782927 /nfs/dbraw/zinc/78/29/27/883782927.db2.gz VZGZMYQXVVFDSZ-ZCYQVOJMSA-N 2 2 394.559 3.649 20 0 GHADLP OCC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCCc2ccccc21 ZINC000551387835 883782930 /nfs/dbraw/zinc/78/29/30/883782930.db2.gz VZGZMYQXVVFDSZ-ZCYQVOJMSA-N 2 2 394.559 3.649 20 0 GHADLP OCC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCCc2ccccc21 ZINC000551387835 883782935 /nfs/dbraw/zinc/78/29/35/883782935.db2.gz VZGZMYQXVVFDSZ-ZCYQVOJMSA-N 2 2 394.559 3.649 20 0 GHADLP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCC(OCC[NH+](C)C)CC1 ZINC000476180978 884222017 /nfs/dbraw/zinc/22/20/17/884222017.db2.gz XGEPRGHAYQFHLA-UHFFFAOYSA-N 2 2 399.535 3.575 20 0 GHADLP O[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1 ZINC000806173702 884395401 /nfs/dbraw/zinc/39/54/01/884395401.db2.gz ZRAOVIMQHADVGX-HNNXBMFYSA-N 2 2 384.364 3.745 20 0 GHADLP c1cc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cs1 ZINC000428547132 884528434 /nfs/dbraw/zinc/52/84/34/884528434.db2.gz MVXGSPCGFXJXAI-FQEVSTJZSA-N 2 2 382.533 3.519 20 0 GHADLP c1cc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000428547132 884528444 /nfs/dbraw/zinc/52/84/44/884528444.db2.gz MVXGSPCGFXJXAI-FQEVSTJZSA-N 2 2 382.533 3.519 20 0 GHADLP CCCOc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000428549255 884629288 /nfs/dbraw/zinc/62/92/88/884629288.db2.gz SGOUHOFLBZBNEU-QFIPXVFZSA-N 2 2 398.547 3.865 20 0 GHADLP CCCOc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000428549255 884629301 /nfs/dbraw/zinc/62/93/01/884629301.db2.gz SGOUHOFLBZBNEU-QFIPXVFZSA-N 2 2 398.547 3.865 20 0 GHADLP Clc1ccc(-c2ccc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)cc2)cc1 ZINC000671190633 885170778 /nfs/dbraw/zinc/17/07/78/885170778.db2.gz OYRVITNSOPIJTG-HSZRJFAPSA-N 2 2 399.966 3.503 20 0 GHADLP CCOC(=O)C1=C(Nc2cccc(C(=[NH2+])OC)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001170522481 885409647 /nfs/dbraw/zinc/40/96/47/885409647.db2.gz LSPOTMGYROQATA-UHFFFAOYSA-N 2 2 393.487 3.793 20 0 GHADLP CCOC(=O)C1=C(Nc2cccc(C(=[NH2+])OC)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522481 885409657 /nfs/dbraw/zinc/40/96/57/885409657.db2.gz LSPOTMGYROQATA-UHFFFAOYSA-N 2 2 393.487 3.793 20 0 GHADLP FC(F)(F)Oc1cccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)c1 ZINC000655767825 885471563 /nfs/dbraw/zinc/47/15/63/885471563.db2.gz ZOQJNXZXZPQOAS-HKUYNNGSSA-N 2 2 384.442 3.879 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1sccc1Br ZINC000532452734 885507192 /nfs/dbraw/zinc/50/71/92/885507192.db2.gz VSBQTQYVSQLECC-ZDUSSCGKSA-N 2 2 395.370 3.508 20 0 GHADLP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000131102941 885523431 /nfs/dbraw/zinc/52/34/31/885523431.db2.gz YWQSPSYEGXHDKF-XXBNENTESA-N 2 2 388.515 3.757 20 0 GHADLP CN(C(=O)NCCCC1CCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000666614593 885549553 /nfs/dbraw/zinc/54/95/53/885549553.db2.gz RWGXJMFGJJPGNZ-SFTDATJTSA-N 2 2 378.605 3.545 20 0 GHADLP CN(C(=O)NCCCC1CCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000666614593 885549565 /nfs/dbraw/zinc/54/95/65/885549565.db2.gz RWGXJMFGJJPGNZ-SFTDATJTSA-N 2 2 378.605 3.545 20 0 GHADLP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000655769009 885571752 /nfs/dbraw/zinc/57/17/52/885571752.db2.gz AZWCYDRYVKRKJG-LADGPHEKSA-N 3 2 385.596 3.522 20 0 GHADLP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000655769009 885571761 /nfs/dbraw/zinc/57/17/61/885571761.db2.gz AZWCYDRYVKRKJG-LADGPHEKSA-N 3 2 385.596 3.522 20 0 GHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000532479803 885791246 /nfs/dbraw/zinc/79/12/46/885791246.db2.gz QGPUPIRFGIGKGQ-CXAGYDPISA-N 2 2 379.957 3.879 20 0 GHADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000670173383 885958706 /nfs/dbraw/zinc/95/87/06/885958706.db2.gz SXCWWKJPEQJVNO-VDGAXYAQSA-N 2 2 392.613 3.788 20 0 GHADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000670173383 885958719 /nfs/dbraw/zinc/95/87/19/885958719.db2.gz SXCWWKJPEQJVNO-VDGAXYAQSA-N 2 2 392.613 3.788 20 0 GHADLP CC[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000476472465 885962413 /nfs/dbraw/zinc/96/24/13/885962413.db2.gz PXLJYADXMFPUGJ-GBAJDQEWSA-N 2 2 377.617 3.998 20 0 GHADLP CC[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000476472465 885962421 /nfs/dbraw/zinc/96/24/21/885962421.db2.gz PXLJYADXMFPUGJ-GBAJDQEWSA-N 2 2 377.617 3.998 20 0 GHADLP CC[N@H+](CN1C(=O)CCC1(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000808164385 886036057 /nfs/dbraw/zinc/03/60/57/886036057.db2.gz XAZSZOZGIAJPOZ-UHFFFAOYSA-N 2 2 387.572 3.558 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N(C)[C@@H]2CCCc3ccccc32)CC1 ZINC000429728886 886239677 /nfs/dbraw/zinc/23/96/77/886239677.db2.gz YDFYRMSWSIVHPI-JOCHJYFZSA-N 2 2 393.531 3.769 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000762480095 886271226 /nfs/dbraw/zinc/27/12/26/886271226.db2.gz JVUARCRFQCWWOL-PBHICJAKSA-N 2 2 376.526 3.669 20 0 GHADLP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000862275875 886272909 /nfs/dbraw/zinc/27/29/09/886272909.db2.gz MPSXMDMQFLGWAU-OAHLLOKOSA-N 2 2 384.471 3.508 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000056894462 886389080 /nfs/dbraw/zinc/38/90/80/886389080.db2.gz GWIFPLKXYCPOLL-LJQANCHMSA-N 2 2 395.532 3.570 20 0 GHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(O[C@H]2CCOC2)c1 ZINC000120676583 886527979 /nfs/dbraw/zinc/52/79/79/886527979.db2.gz JQCPRUOLPYTVRE-AJSBUHFISA-N 2 2 395.547 3.558 20 0 GHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(O[C@H]2CCOC2)c1 ZINC000120676583 886527991 /nfs/dbraw/zinc/52/79/91/886527991.db2.gz JQCPRUOLPYTVRE-AJSBUHFISA-N 2 2 395.547 3.558 20 0 GHADLP CC[NH2+][C@@H](C)c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000863667348 887275535 /nfs/dbraw/zinc/27/55/35/887275535.db2.gz LWDXQVCTHNDWEE-KRWDZBQOSA-N 2 2 392.503 3.906 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000809595353 887601172 /nfs/dbraw/zinc/60/11/72/887601172.db2.gz JTDJDKYPSXJOFS-VQIMIIECSA-N 2 2 385.943 3.678 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000809595353 887601176 /nfs/dbraw/zinc/60/11/76/887601176.db2.gz JTDJDKYPSXJOFS-VQIMIIECSA-N 2 2 385.943 3.678 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000809595353 887601180 /nfs/dbraw/zinc/60/11/80/887601180.db2.gz JTDJDKYPSXJOFS-VQIMIIECSA-N 2 2 385.943 3.678 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000809595353 887601183 /nfs/dbraw/zinc/60/11/83/887601183.db2.gz JTDJDKYPSXJOFS-VQIMIIECSA-N 2 2 385.943 3.678 20 0 GHADLP C[NH+](C)Cc1cnc(C[N@H+](CCCOc2ccccc2)C2CCOCC2)s1 ZINC000809640421 887645083 /nfs/dbraw/zinc/64/50/83/887645083.db2.gz FACJPZNDDLXQPN-UHFFFAOYSA-N 2 2 389.565 3.655 20 0 GHADLP C[NH+](C)Cc1cnc(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)s1 ZINC000809640421 887645088 /nfs/dbraw/zinc/64/50/88/887645088.db2.gz FACJPZNDDLXQPN-UHFFFAOYSA-N 2 2 389.565 3.655 20 0 GHADLP Cc1c(Cl)cccc1N1CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000809665375 887689783 /nfs/dbraw/zinc/68/97/83/887689783.db2.gz SJXIDYXTGGZGSW-UHFFFAOYSA-N 2 2 378.973 3.879 20 0 GHADLP Cc1c(Cl)cccc1N1CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000809665375 887689787 /nfs/dbraw/zinc/68/97/87/887689787.db2.gz SJXIDYXTGGZGSW-UHFFFAOYSA-N 2 2 378.973 3.879 20 0 GHADLP C[NH+](C)C1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)CC1 ZINC000193812445 887698820 /nfs/dbraw/zinc/69/88/20/887698820.db2.gz HKAKJSSRWJHOOA-HSZRJFAPSA-N 2 2 396.575 3.778 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(Oc4ccccc4)c3)CC2)CC1 ZINC000050802127 887711231 /nfs/dbraw/zinc/71/12/31/887711231.db2.gz KIIVHHMISAZXPW-UHFFFAOYSA-N 2 2 393.531 3.767 20 0 GHADLP Cc1cc(Br)cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000809751797 887792752 /nfs/dbraw/zinc/79/27/52/887792752.db2.gz JZQIDXMVDDEWTA-YOFSQIOKSA-N 2 2 392.385 3.500 20 0 GHADLP Cc1cc(Br)cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000809751797 887792765 /nfs/dbraw/zinc/79/27/65/887792765.db2.gz JZQIDXMVDDEWTA-YOFSQIOKSA-N 2 2 392.385 3.500 20 0 GHADLP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000134404897 887871169 /nfs/dbraw/zinc/87/11/69/887871169.db2.gz BEHBJSMOGAZLFQ-ACJLOTCBSA-N 2 2 397.332 3.666 20 0 GHADLP CNc1ccc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c[nH+]1 ZINC001170596121 888150471 /nfs/dbraw/zinc/15/04/71/888150471.db2.gz MRABQXIGKSLVIJ-JOCHJYFZSA-N 2 2 376.504 3.599 20 0 GHADLP C[C@@H]([NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000865524024 888407447 /nfs/dbraw/zinc/40/74/47/888407447.db2.gz HJVIJTHMZZXYHW-CVEARBPZSA-N 2 2 389.544 3.566 20 0 GHADLP C[C@@H]([NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000865524024 888407452 /nfs/dbraw/zinc/40/74/52/888407452.db2.gz HJVIJTHMZZXYHW-CVEARBPZSA-N 2 2 389.544 3.566 20 0 GHADLP Clc1ccccc1COc1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000729684624 888702936 /nfs/dbraw/zinc/70/29/36/888702936.db2.gz UQBFGHIGWZAPAH-PZJWPPBQSA-N 2 2 386.923 3.872 20 0 GHADLP Clc1ccccc1COc1cccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000729684624 888702951 /nfs/dbraw/zinc/70/29/51/888702951.db2.gz UQBFGHIGWZAPAH-PZJWPPBQSA-N 2 2 386.923 3.872 20 0 GHADLP CC[N@H+](CCn1cc(Cl)cn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000459382937 888749271 /nfs/dbraw/zinc/74/92/71/888749271.db2.gz TYACISHWTDGZIP-UHFFFAOYSA-N 2 2 390.963 3.749 20 0 GHADLP CC[N@@H+](CCn1cc(Cl)cn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000459382937 888749286 /nfs/dbraw/zinc/74/92/86/888749286.db2.gz TYACISHWTDGZIP-UHFFFAOYSA-N 2 2 390.963 3.749 20 0 GHADLP c1ccc(COC[C@H]2CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000509671798 888758736 /nfs/dbraw/zinc/75/87/36/888758736.db2.gz QULYQTYCTISZNK-DEOSSOPVSA-N 2 2 393.575 3.737 20 0 GHADLP c1ccc(COC[C@H]2CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000509671798 888758745 /nfs/dbraw/zinc/75/87/45/888758745.db2.gz QULYQTYCTISZNK-DEOSSOPVSA-N 2 2 393.575 3.737 20 0 GHADLP C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000121053625 888868877 /nfs/dbraw/zinc/86/88/77/888868877.db2.gz QRPCVTVIJCYBNT-GAJHUEQPSA-N 2 2 385.527 3.962 20 0 GHADLP O[C@@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)Cn1c2ccccc2c2ccccc21 ZINC000644518695 913330535 /nfs/dbraw/zinc/33/05/35/913330535.db2.gz YBDRTKUMTDNRLJ-IBGZPJMESA-N 2 2 388.515 3.521 20 0 GHADLP C[N@@H+]1CCC[C@@H]1CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000124352038 889601504 /nfs/dbraw/zinc/60/15/04/889601504.db2.gz UKCCHPJRJCZEDL-GOSISDBHSA-N 2 2 385.581 3.830 20 0 GHADLP C[N@H+]1CCC[C@@H]1CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000124352038 889601514 /nfs/dbraw/zinc/60/15/14/889601514.db2.gz UKCCHPJRJCZEDL-GOSISDBHSA-N 2 2 385.581 3.830 20 0 GHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@](C)(O)C[NH+](C)C)c(C)c1 ZINC000533104315 889777414 /nfs/dbraw/zinc/77/74/14/889777414.db2.gz WBMLAQOSJDGEJU-XMMPIXPASA-N 2 2 392.547 3.558 20 0 GHADLP C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000533347635 890309794 /nfs/dbraw/zinc/30/97/94/890309794.db2.gz HBTMGSPXYDXMNG-ZDUSSCGKSA-N 2 2 399.495 3.879 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000644695797 913461008 /nfs/dbraw/zinc/46/10/08/913461008.db2.gz ILXYFIVRPYVUQX-OAQYLSRUSA-N 2 2 388.515 3.507 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](O)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000644695797 913461013 /nfs/dbraw/zinc/46/10/13/913461013.db2.gz ILXYFIVRPYVUQX-OAQYLSRUSA-N 2 2 388.515 3.507 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccc(Br)c(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205315898 913467738 /nfs/dbraw/zinc/46/77/38/913467738.db2.gz HZQNTIGXUCUADY-JQWIXIFHSA-N 2 2 381.236 3.764 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccc(Br)c(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205315898 913467745 /nfs/dbraw/zinc/46/77/45/913467745.db2.gz HZQNTIGXUCUADY-JQWIXIFHSA-N 2 2 381.236 3.764 20 0 GHADLP Cn1cc[nH+]c1CC1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000126675664 890643547 /nfs/dbraw/zinc/64/35/47/890643547.db2.gz DOCKQYROGWPWIN-UHFFFAOYSA-N 2 2 378.314 3.516 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000812842679 891030282 /nfs/dbraw/zinc/03/02/82/891030282.db2.gz PDWDQUGNAMIKFB-UHFFFAOYSA-N 3 2 393.579 3.623 20 0 GHADLP Cc1cc(C)c(NC(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(C)[nH+]1 ZINC000455485224 891036071 /nfs/dbraw/zinc/03/60/71/891036071.db2.gz QUAOSQQUUPBCDB-MRXNPFEDSA-N 2 2 399.514 3.780 20 0 GHADLP Cc1cc(C)c(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c(C)[nH+]1 ZINC000455490168 891043661 /nfs/dbraw/zinc/04/36/61/891043661.db2.gz WHPZWHCCVJRTPO-UHFFFAOYSA-N 2 2 395.551 3.731 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c[nH+]1 ZINC000455539062 891108060 /nfs/dbraw/zinc/10/80/60/891108060.db2.gz DELUYIFDPIZTGL-UHFFFAOYSA-N 2 2 380.536 3.549 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c[nH+]1 ZINC000455539062 891108074 /nfs/dbraw/zinc/10/80/74/891108074.db2.gz DELUYIFDPIZTGL-UHFFFAOYSA-N 2 2 380.536 3.549 20 0 GHADLP CN(C(=O)N[C@@H]1CCCC1(C)C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533673978 891112648 /nfs/dbraw/zinc/11/26/48/891112648.db2.gz FYSGWVAIYXYUDA-VAMGGRTRSA-N 2 2 378.605 3.544 20 0 GHADLP CN(C(=O)N[C@@H]1CCCC1(C)C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533673978 891112653 /nfs/dbraw/zinc/11/26/53/891112653.db2.gz FYSGWVAIYXYUDA-VAMGGRTRSA-N 2 2 378.605 3.544 20 0 GHADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455564063 891234683 /nfs/dbraw/zinc/23/46/83/891234683.db2.gz UPNWZFZVLCBTIG-OAQYLSRUSA-N 2 2 380.536 3.752 20 0 GHADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455564063 891234691 /nfs/dbraw/zinc/23/46/91/891234691.db2.gz UPNWZFZVLCBTIG-OAQYLSRUSA-N 2 2 380.536 3.752 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000246863574 891316928 /nfs/dbraw/zinc/31/69/28/891316928.db2.gz DCKAZUIFFYYQOM-GBXCKJPGSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000246863574 891316939 /nfs/dbraw/zinc/31/69/39/891316939.db2.gz DCKAZUIFFYYQOM-GBXCKJPGSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246863574 891316955 /nfs/dbraw/zinc/31/69/55/891316955.db2.gz DCKAZUIFFYYQOM-GBXCKJPGSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246863574 891316973 /nfs/dbraw/zinc/31/69/73/891316973.db2.gz DCKAZUIFFYYQOM-GBXCKJPGSA-N 3 2 380.580 3.922 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246998065 891331127 /nfs/dbraw/zinc/33/11/27/891331127.db2.gz WSSWFPYXBWUAOE-IZBJGVDFSA-N 2 2 387.593 3.749 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246998065 891331140 /nfs/dbraw/zinc/33/11/40/891331140.db2.gz WSSWFPYXBWUAOE-IZBJGVDFSA-N 2 2 387.593 3.749 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246998065 891331153 /nfs/dbraw/zinc/33/11/53/891331153.db2.gz WSSWFPYXBWUAOE-IZBJGVDFSA-N 2 2 387.593 3.749 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246998065 891331165 /nfs/dbraw/zinc/33/11/65/891331165.db2.gz WSSWFPYXBWUAOE-IZBJGVDFSA-N 2 2 387.593 3.749 20 0 GHADLP C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1c1cccs1 ZINC000247559607 891386407 /nfs/dbraw/zinc/38/64/07/891386407.db2.gz ZLYHVXORDAUBGJ-XLIONFOSSA-N 2 2 380.517 3.747 20 0 GHADLP C[N@H+]1CCC[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1c1cccs1 ZINC000247559607 891386421 /nfs/dbraw/zinc/38/64/21/891386421.db2.gz ZLYHVXORDAUBGJ-XLIONFOSSA-N 2 2 380.517 3.747 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247728279 891393871 /nfs/dbraw/zinc/39/38/71/891393871.db2.gz UYBUIPKSTBREPY-CPUCHLNUSA-N 2 2 380.414 3.812 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247728279 891393887 /nfs/dbraw/zinc/39/38/87/891393887.db2.gz UYBUIPKSTBREPY-CPUCHLNUSA-N 2 2 380.414 3.812 20 0 GHADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000162015094 891946124 /nfs/dbraw/zinc/94/61/24/891946124.db2.gz QTKUOJSHVPYPQK-JOCHJYFZSA-N 2 2 396.531 3.710 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000813787398 891972017 /nfs/dbraw/zinc/97/20/17/891972017.db2.gz FPYYXIXOUGQSIF-KRWDZBQOSA-N 2 2 388.537 3.813 20 0 GHADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCCO2 ZINC000162029547 892020732 /nfs/dbraw/zinc/02/07/32/892020732.db2.gz VSKBOGFMLKETOD-QFIPXVFZSA-N 2 2 396.531 3.710 20 0 GHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000162041122 892040614 /nfs/dbraw/zinc/04/06/14/892040614.db2.gz KRFIHKGRGVGBKS-QHCPKHFHSA-N 2 2 396.531 3.573 20 0 GHADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000288246790 913705340 /nfs/dbraw/zinc/70/53/40/913705340.db2.gz FXTMZOWNHLZKNB-XMMPIXPASA-N 2 2 386.499 3.611 20 0 GHADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000288246790 913705360 /nfs/dbraw/zinc/70/53/60/913705360.db2.gz FXTMZOWNHLZKNB-XMMPIXPASA-N 2 2 386.499 3.611 20 0 GHADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)cs2)c1OC ZINC000533866781 893273389 /nfs/dbraw/zinc/27/33/89/893273389.db2.gz MEWUNJFFFLKATA-AWEZNQCLSA-N 2 2 384.505 3.550 20 0 GHADLP COc1cccc(-c2nc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)cs2)c1OC ZINC000533866781 893273411 /nfs/dbraw/zinc/27/34/11/893273411.db2.gz MEWUNJFFFLKATA-AWEZNQCLSA-N 2 2 384.505 3.550 20 0 GHADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc4c(ccnc4Cl)o3)cc2)CC1 ZINC000876932842 893393374 /nfs/dbraw/zinc/39/33/74/893393374.db2.gz XWUMEGYEOTZESG-UHFFFAOYSA-N 2 2 384.911 3.518 20 0 GHADLP CC1CC[NH+]([C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)c2cccs2)CC1 ZINC000536652705 893428950 /nfs/dbraw/zinc/42/89/50/893428950.db2.gz LNJLHZWOAFJODI-IBGZPJMESA-N 2 2 395.532 3.532 20 0 GHADLP C[NH+](C)Cc1cc(C[NH2+]Cc2nc(Cl)ccc2Br)ccc1F ZINC000877044918 893455862 /nfs/dbraw/zinc/45/58/62/893455862.db2.gz LEGNAJWBBYKYRK-UHFFFAOYSA-N 2 2 386.696 3.988 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(SC(F)F)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000815156573 893494199 /nfs/dbraw/zinc/49/41/99/893494199.db2.gz OBKHOUVPFMGBEJ-GOSISDBHSA-N 2 2 378.488 3.510 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(SC(F)F)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000815156573 893494212 /nfs/dbraw/zinc/49/42/12/893494212.db2.gz OBKHOUVPFMGBEJ-GOSISDBHSA-N 2 2 378.488 3.510 20 0 GHADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000536840871 893916505 /nfs/dbraw/zinc/91/65/05/893916505.db2.gz VFFHTSAGNMQRTB-NHYWBVRUSA-N 2 2 377.838 3.595 20 0 GHADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000536840871 893916511 /nfs/dbraw/zinc/91/65/11/893916511.db2.gz VFFHTSAGNMQRTB-NHYWBVRUSA-N 2 2 377.838 3.595 20 0 GHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2cccc(Br)c2)CC1 ZINC000459630495 893931626 /nfs/dbraw/zinc/93/16/26/893931626.db2.gz AMPKFXXSVOWWCG-UHFFFAOYSA-N 2 2 379.264 3.998 20 0 GHADLP C[C@H](c1ccccc1Cl)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000129887456 894032324 /nfs/dbraw/zinc/03/23/24/894032324.db2.gz VESMNTVHVAXTON-MRXNPFEDSA-N 2 2 385.943 3.607 20 0 GHADLP C[C@H](c1ccccc1Cl)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000129887456 894032340 /nfs/dbraw/zinc/03/23/40/894032340.db2.gz VESMNTVHVAXTON-MRXNPFEDSA-N 2 2 385.943 3.607 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000878150769 894054340 /nfs/dbraw/zinc/05/43/40/894054340.db2.gz OZEKRKDBKJDANM-NRFANRHFSA-N 2 2 387.568 3.596 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000878150769 894054359 /nfs/dbraw/zinc/05/43/59/894054359.db2.gz OZEKRKDBKJDANM-NRFANRHFSA-N 2 2 387.568 3.596 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000459681897 894059362 /nfs/dbraw/zinc/05/93/62/894059362.db2.gz DRVHKHUUTJKFBR-QSRMWPQZSA-N 2 2 386.561 3.964 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000459681897 894059376 /nfs/dbraw/zinc/05/93/76/894059376.db2.gz DRVHKHUUTJKFBR-QSRMWPQZSA-N 2 2 386.561 3.964 20 0 GHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000564482446 895029837 /nfs/dbraw/zinc/02/98/37/895029837.db2.gz WOPWDMOODJUZIV-HSZRJFAPSA-N 2 2 388.515 3.602 20 0 GHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000564482446 895029867 /nfs/dbraw/zinc/02/98/67/895029867.db2.gz WOPWDMOODJUZIV-HSZRJFAPSA-N 2 2 388.515 3.602 20 0 GHADLP [NH3+]Cc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000237969212 895235365 /nfs/dbraw/zinc/23/53/65/895235365.db2.gz MMNPIYJIZALWLP-GOSISDBHSA-N 2 2 375.875 3.505 20 0 GHADLP CC(C)CNC(=O)c1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000880568769 895751415 /nfs/dbraw/zinc/75/14/15/895751415.db2.gz GEYGUFFFKKMWGM-QFIPXVFZSA-N 2 2 376.504 3.800 20 0 GHADLP FC(F)(F)COc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000880571655 895752519 /nfs/dbraw/zinc/75/25/19/895752519.db2.gz SFAQJWCEMPBKBN-QGZVFWFLSA-N 2 2 376.382 3.750 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc4ccc(Br)cc4s3)CC[C@H]21 ZINC000774911006 914013690 /nfs/dbraw/zinc/01/36/90/914013690.db2.gz DUDLWDOVERPOSK-IUODEOHRSA-N 2 2 380.355 3.975 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc4ccc(Br)cc4s3)CC[C@H]21 ZINC000774911006 914013705 /nfs/dbraw/zinc/01/37/05/914013705.db2.gz DUDLWDOVERPOSK-IUODEOHRSA-N 2 2 380.355 3.975 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc4ccc(Br)cc4s3)CC[C@H]21 ZINC000774911006 914013718 /nfs/dbraw/zinc/01/37/18/914013718.db2.gz DUDLWDOVERPOSK-IUODEOHRSA-N 2 2 380.355 3.975 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc4ccc(Br)cc4s3)CC[C@H]21 ZINC000774911006 914013737 /nfs/dbraw/zinc/01/37/37/914013737.db2.gz DUDLWDOVERPOSK-IUODEOHRSA-N 2 2 380.355 3.975 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)Sc1ccc(Br)cc1 ZINC000817897548 895952463 /nfs/dbraw/zinc/95/24/63/895952463.db2.gz RVLARPMLWLUSTO-UKRRQHHQSA-N 2 2 387.387 3.676 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000817922770 895962683 /nfs/dbraw/zinc/96/26/83/895962683.db2.gz LQPPFFDEDIDFOL-PTMOQOSQSA-N 2 2 380.532 3.908 20 0 GHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)c1ccccc1 ZINC000819014648 896348307 /nfs/dbraw/zinc/34/83/07/896348307.db2.gz SJGSSOTZGFKMNP-GOSISDBHSA-N 2 2 382.552 3.800 20 0 GHADLP Brc1ccn2cc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)nc2c1 ZINC000566589831 896398201 /nfs/dbraw/zinc/39/82/01/896398201.db2.gz GLINJKXULCMUMZ-UHFFFAOYSA-N 2 2 391.357 3.841 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H](O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000819109696 896415189 /nfs/dbraw/zinc/41/51/89/896415189.db2.gz ZAUVSLAVRJYQNL-QFIPXVFZSA-N 2 2 387.955 3.568 20 0 GHADLP COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000819184173 896454199 /nfs/dbraw/zinc/45/41/99/896454199.db2.gz CHYHMQOBIHFMHD-YADHBBJMSA-N 2 2 395.503 3.582 20 0 GHADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000566988821 896773013 /nfs/dbraw/zinc/77/30/13/896773013.db2.gz KLHIPTVYWDVRPN-UHFFFAOYSA-N 2 2 388.515 3.781 20 0 GHADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000566988821 896773021 /nfs/dbraw/zinc/77/30/21/896773021.db2.gz KLHIPTVYWDVRPN-UHFFFAOYSA-N 2 2 388.515 3.781 20 0 GHADLP Cc1cn2cc(NC(=O)N3CC[N@H+](Cc4ccccc4)C[C@@H](C)C3)ccc2[nH+]1 ZINC000567342400 897078064 /nfs/dbraw/zinc/07/80/64/897078064.db2.gz SROVRDAKDWIEEN-QGZVFWFLSA-N 2 2 377.492 3.629 20 0 GHADLP Cc1cn2cc(NC(=O)N3CC[N@@H+](Cc4ccccc4)C[C@@H](C)C3)ccc2[nH+]1 ZINC000567342400 897078079 /nfs/dbraw/zinc/07/80/79/897078079.db2.gz SROVRDAKDWIEEN-QGZVFWFLSA-N 2 2 377.492 3.629 20 0 GHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000883387577 897550850 /nfs/dbraw/zinc/55/08/50/897550850.db2.gz ZUXVCDYDRSHSMC-CVDCTZTESA-N 2 2 376.504 3.812 20 0 GHADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cncc(Br)c1 ZINC000568108719 897599505 /nfs/dbraw/zinc/59/95/05/897599505.db2.gz KVUBMYKXEXGOBS-OAHLLOKOSA-N 2 2 385.309 3.982 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@@H]2CCc3cccc(F)c3C2)cs1 ZINC001170957073 897651461 /nfs/dbraw/zinc/65/14/61/897651461.db2.gz JTIVFCPVMSERAL-OAHLLOKOSA-N 2 2 379.570 3.724 20 0 GHADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001136464982 897971601 /nfs/dbraw/zinc/97/16/01/897971601.db2.gz BGOOUHCWEGQPGT-FGZHOGPDSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001136464982 897971615 /nfs/dbraw/zinc/97/16/15/897971615.db2.gz BGOOUHCWEGQPGT-FGZHOGPDSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001136464982 897971629 /nfs/dbraw/zinc/97/16/29/897971629.db2.gz BGOOUHCWEGQPGT-FGZHOGPDSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001136464982 897971638 /nfs/dbraw/zinc/97/16/38/897971638.db2.gz BGOOUHCWEGQPGT-FGZHOGPDSA-N 2 2 389.559 3.951 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000568982947 898257922 /nfs/dbraw/zinc/25/79/22/898257922.db2.gz AFEVCJVUUQFNDT-QHCPKHFHSA-N 2 2 391.559 3.822 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000568982947 898257935 /nfs/dbraw/zinc/25/79/35/898257935.db2.gz AFEVCJVUUQFNDT-QHCPKHFHSA-N 2 2 391.559 3.822 20 0 GHADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105725 914260391 /nfs/dbraw/zinc/26/03/91/914260391.db2.gz FFHWUBNSTKJIDA-OAHLLOKOSA-N 2 2 375.900 3.853 20 0 GHADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105725 914260402 /nfs/dbraw/zinc/26/04/02/914260402.db2.gz FFHWUBNSTKJIDA-OAHLLOKOSA-N 2 2 375.900 3.853 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111243925 898793943 /nfs/dbraw/zinc/79/39/43/898793943.db2.gz UBNRZQZOCUJGOX-JOCHJYFZSA-N 2 2 396.535 3.673 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244671 898794401 /nfs/dbraw/zinc/79/44/01/898794401.db2.gz VAYYSXXDIWHRCK-ZWKOTPCHSA-N 2 2 376.504 3.939 20 0 GHADLP O=C(OCc1ccccc1)c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)[nH]1 ZINC000823654102 899164896 /nfs/dbraw/zinc/16/48/96/899164896.db2.gz LWDJYJVXZRFFNP-UHFFFAOYSA-N 2 2 390.487 3.525 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C(C)(C)c3cccc4ccccc43)c2)CC1 ZINC001171052471 899545506 /nfs/dbraw/zinc/54/55/06/899545506.db2.gz WGAQYQBCSVQTID-UHFFFAOYSA-N 2 2 388.515 3.903 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(C)c1OC ZINC000570992577 899703079 /nfs/dbraw/zinc/70/30/79/899703079.db2.gz OPJDKKVZPKHKAT-DWLFOUALSA-N 2 2 398.547 3.546 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(C)c1OC ZINC000570992577 899703083 /nfs/dbraw/zinc/70/30/83/899703083.db2.gz OPJDKKVZPKHKAT-DWLFOUALSA-N 2 2 398.547 3.546 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC001136935621 899807615 /nfs/dbraw/zinc/80/76/15/899807615.db2.gz LVRSAJAVYICWLU-NRFANRHFSA-N 2 2 382.495 3.653 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC001136935621 899807618 /nfs/dbraw/zinc/80/76/18/899807618.db2.gz LVRSAJAVYICWLU-NRFANRHFSA-N 2 2 382.495 3.653 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC001136935621 899807629 /nfs/dbraw/zinc/80/76/29/899807629.db2.gz LVRSAJAVYICWLU-NRFANRHFSA-N 2 2 382.495 3.653 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC001136935621 899807638 /nfs/dbraw/zinc/80/76/38/899807638.db2.gz LVRSAJAVYICWLU-NRFANRHFSA-N 2 2 382.495 3.653 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cc(C)nc(Cl)c3)CC2)cc1 ZINC000824903659 899868754 /nfs/dbraw/zinc/86/87/54/899868754.db2.gz IVZYQFBQJGMUKI-UHFFFAOYSA-N 2 2 386.927 3.756 20 0 GHADLP Cc1ccc2c(C[NH+]3CCC4(CCC[N@H+]4Cc4ccn(C)n4)CC3)c[nH]c2c1 ZINC001136971710 899926752 /nfs/dbraw/zinc/92/67/52/899926752.db2.gz MUSNXLATDKXSKB-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP Cc1ccc2c(C[NH+]3CCC4(CCC[N@@H+]4Cc4ccn(C)n4)CC3)c[nH]c2c1 ZINC001136971710 899926755 /nfs/dbraw/zinc/92/67/55/899926755.db2.gz MUSNXLATDKXSKB-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333127952 899984213 /nfs/dbraw/zinc/98/42/13/899984213.db2.gz IEGCHIHKAVEGFT-SFHVURJKSA-N 2 2 384.568 3.794 20 0 GHADLP COc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1C ZINC001137004927 900029525 /nfs/dbraw/zinc/02/95/25/900029525.db2.gz SDIAVJPTBUZZDZ-KSEOMHKRSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1C ZINC001137004927 900029530 /nfs/dbraw/zinc/02/95/30/900029530.db2.gz SDIAVJPTBUZZDZ-KSEOMHKRSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1C ZINC001137004927 900029540 /nfs/dbraw/zinc/02/95/40/900029540.db2.gz SDIAVJPTBUZZDZ-KSEOMHKRSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1C ZINC001137004927 900029545 /nfs/dbraw/zinc/02/95/45/900029545.db2.gz SDIAVJPTBUZZDZ-KSEOMHKRSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1C ZINC001137004928 900029881 /nfs/dbraw/zinc/02/98/81/900029881.db2.gz SDIAVJPTBUZZDZ-NNWRFLSQSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1C ZINC001137004928 900029887 /nfs/dbraw/zinc/02/98/87/900029887.db2.gz SDIAVJPTBUZZDZ-NNWRFLSQSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1C ZINC001137004928 900029897 /nfs/dbraw/zinc/02/98/97/900029897.db2.gz SDIAVJPTBUZZDZ-NNWRFLSQSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1C ZINC001137004928 900029899 /nfs/dbraw/zinc/02/98/99/900029899.db2.gz SDIAVJPTBUZZDZ-NNWRFLSQSA-N 2 2 380.536 3.526 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4cccnc4CC3)CC2)cc1 ZINC000572146695 900079339 /nfs/dbraw/zinc/07/93/39/900079339.db2.gz ZIGRNUHAVQUKSJ-JOCHJYFZSA-N 2 2 392.547 3.542 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(C(F)(F)F)cc1Cl)CC2 ZINC001143710640 900418189 /nfs/dbraw/zinc/41/81/89/900418189.db2.gz KLIYZQQDRDVXPZ-UHFFFAOYSA-N 2 2 375.822 3.989 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000289972979 914459082 /nfs/dbraw/zinc/45/90/82/914459082.db2.gz ZNDXPFRYMZWOKF-WCRBZPEASA-N 2 2 381.520 3.726 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000289972979 914459095 /nfs/dbraw/zinc/45/90/95/914459095.db2.gz ZNDXPFRYMZWOKF-WCRBZPEASA-N 2 2 381.520 3.726 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000289972979 914459103 /nfs/dbraw/zinc/45/91/03/914459103.db2.gz ZNDXPFRYMZWOKF-WCRBZPEASA-N 2 2 381.520 3.726 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000289972979 914459112 /nfs/dbraw/zinc/45/91/12/914459112.db2.gz ZNDXPFRYMZWOKF-WCRBZPEASA-N 2 2 381.520 3.726 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H](O)c3c(F)cccc3F)C2)s1 ZINC000844330267 900702415 /nfs/dbraw/zinc/70/24/15/900702415.db2.gz VYRUXNBUHRLFFE-DNVCBOLYSA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H](O)c3c(F)cccc3F)C2)s1 ZINC000844330267 900702424 /nfs/dbraw/zinc/70/24/24/900702424.db2.gz VYRUXNBUHRLFFE-DNVCBOLYSA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](O)c3c(F)cccc3F)C2)s1 ZINC000844330267 900702432 /nfs/dbraw/zinc/70/24/32/900702432.db2.gz VYRUXNBUHRLFFE-DNVCBOLYSA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](O)c3c(F)cccc3F)C2)s1 ZINC000844330267 900702438 /nfs/dbraw/zinc/70/24/38/900702438.db2.gz VYRUXNBUHRLFFE-DNVCBOLYSA-N 2 2 380.504 3.822 20 0 GHADLP COC(=O)c1cncc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000886553699 901153653 /nfs/dbraw/zinc/15/36/53/901153653.db2.gz SYZKGKYEOGVANI-UWJYYQICSA-N 2 2 378.476 3.774 20 0 GHADLP Cc1[nH]c(C2CC[NH+](Cc3nc(-c4cc(F)c(F)c(F)c4)no3)CC2)[nH+]c1C ZINC000886664602 901215826 /nfs/dbraw/zinc/21/58/26/901215826.db2.gz RICNMIDOQCOYJQ-UHFFFAOYSA-N 2 2 391.397 3.873 20 0 GHADLP Cc1cc2ncc([C@H](C)[NH2+]C3CC[NH+]([C@@H](C)c4ccncc4)CC3)c(C)n2n1 ZINC000090668025 901439765 /nfs/dbraw/zinc/43/97/65/901439765.db2.gz DLZLQHNAZKWCRV-IRXDYDNUSA-N 2 2 378.524 3.617 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000779007595 902726735 /nfs/dbraw/zinc/72/67/35/902726735.db2.gz GUDSKDFLUBYZLH-XLIONFOSSA-N 2 2 384.524 3.667 20 0 GHADLP CC(C)(CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C[NH+]1CCCC1 ZINC000577809883 903225952 /nfs/dbraw/zinc/22/59/52/903225952.db2.gz BHYOEBNWCWTRAS-NHCUHLMSSA-N 2 2 395.551 3.533 20 0 GHADLP CC(C)(C)OC(=O)N1CCN(c2cc(Nc3cccc4[nH+]ccn43)cc[nH+]2)CC1 ZINC001212834330 903393258 /nfs/dbraw/zinc/39/32/58/903393258.db2.gz XMNXIZJMTMLOGT-UHFFFAOYSA-N 2 2 394.479 3.530 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000578443489 903848338 /nfs/dbraw/zinc/84/83/38/903848338.db2.gz YJRPGCWSXPDCSB-AVYPCKFXSA-N 2 2 387.911 3.698 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000578443489 903848343 /nfs/dbraw/zinc/84/83/43/903848343.db2.gz YJRPGCWSXPDCSB-AVYPCKFXSA-N 2 2 387.911 3.698 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000265542765 903949883 /nfs/dbraw/zinc/94/98/83/903949883.db2.gz XAQDPWTYXJESHN-UHFFFAOYSA-N 2 2 386.805 3.900 20 0 GHADLP Cc1cccc2c1CC[C@@H]([NH+]1CCC3(CC1)C[N@H+](Cc1ccoc1)CCO3)C2 ZINC001171566470 904832057 /nfs/dbraw/zinc/83/20/57/904832057.db2.gz IMWPIZRZUQANIK-JOCHJYFZSA-N 2 2 380.532 3.812 20 0 GHADLP Cc1cccc2c1CC[C@@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccoc1)CCO3)C2 ZINC001171566470 904832068 /nfs/dbraw/zinc/83/20/68/904832068.db2.gz IMWPIZRZUQANIK-JOCHJYFZSA-N 2 2 380.532 3.812 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C[C@H]1C(C)(C)C ZINC001171593929 904845191 /nfs/dbraw/zinc/84/51/91/904845191.db2.gz UDKMLWLHLURLKE-QYZOEREBSA-N 2 2 379.589 3.875 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1C(C)(C)C ZINC001171593929 904845202 /nfs/dbraw/zinc/84/52/02/904845202.db2.gz UDKMLWLHLURLKE-QYZOEREBSA-N 2 2 379.589 3.875 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCOc2cc[nH+]cc2)C[C@H]1C(C)(C)C ZINC001171600173 904863287 /nfs/dbraw/zinc/86/32/87/904863287.db2.gz FDCNXDDUIMHUHT-AEFFLSMTSA-N 2 2 377.529 3.864 20 0 GHADLP CC1(C)C[C@H]([NH+]2CCN(c3ccc(Cl)nn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171986445 905244439 /nfs/dbraw/zinc/24/44/39/905244439.db2.gz ICQUWEZMEJUTQO-LJQANCHMSA-N 2 2 399.970 3.695 20 0 GHADLP CC1(C)C[C@H]([NH+]2CCN(c3ccc(Cl)nn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171986445 905244455 /nfs/dbraw/zinc/24/44/55/905244455.db2.gz ICQUWEZMEJUTQO-LJQANCHMSA-N 2 2 399.970 3.695 20 0 GHADLP Cc1ccc(N2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)nc1 ZINC001171988530 905253063 /nfs/dbraw/zinc/25/30/63/905253063.db2.gz SVIPBKJFBGVJBB-JOCHJYFZSA-N 2 2 378.564 3.955 20 0 GHADLP Cc1ccc(N2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)nc1 ZINC001171988530 905253080 /nfs/dbraw/zinc/25/30/80/905253080.db2.gz SVIPBKJFBGVJBB-JOCHJYFZSA-N 2 2 378.564 3.955 20 0 GHADLP CCOC(=O)[C@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCS1 ZINC001172087080 905303430 /nfs/dbraw/zinc/30/34/30/905303430.db2.gz JHRKUEFQVUNVCY-PLACYPQZSA-N 2 2 388.577 3.553 20 0 GHADLP CCOC(=O)[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCS1 ZINC001172087080 905303447 /nfs/dbraw/zinc/30/34/47/905303447.db2.gz JHRKUEFQVUNVCY-PLACYPQZSA-N 2 2 388.577 3.553 20 0 GHADLP CCOC(=O)[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCS1 ZINC001172087080 905303466 /nfs/dbraw/zinc/30/34/66/905303466.db2.gz JHRKUEFQVUNVCY-PLACYPQZSA-N 2 2 388.577 3.553 20 0 GHADLP CCOC(=O)[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCS1 ZINC001172087080 905303485 /nfs/dbraw/zinc/30/34/85/905303485.db2.gz JHRKUEFQVUNVCY-PLACYPQZSA-N 2 2 388.577 3.553 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1Cc3ccccc3C[C@H]1C[NH3+])C2 ZINC001172091202 905311302 /nfs/dbraw/zinc/31/13/02/905311302.db2.gz SOJIRIPGTKXHNH-WOZUAGRISA-N 2 2 385.552 3.693 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1Cc3ccccc3C[C@H]1C[NH3+])C2 ZINC001172091202 905311316 /nfs/dbraw/zinc/31/13/16/905311316.db2.gz SOJIRIPGTKXHNH-WOZUAGRISA-N 2 2 385.552 3.693 20 0 GHADLP CC[C@H](C)OCC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001172335609 905501545 /nfs/dbraw/zinc/50/15/45/905501545.db2.gz KEPGNVYUMYIKLU-CMKODMSKSA-N 2 2 397.604 3.644 20 0 GHADLP CCCCCC[C@@H](CCC)[N@@H+]1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001172382784 905542917 /nfs/dbraw/zinc/54/29/17/905542917.db2.gz COKHCNXSKKFPRE-HXUWFJFHSA-N 2 2 385.556 3.833 20 0 GHADLP CCCCCC[C@@H](CCC)[N@H+]1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001172382784 905542927 /nfs/dbraw/zinc/54/29/27/905542927.db2.gz COKHCNXSKKFPRE-HXUWFJFHSA-N 2 2 385.556 3.833 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@H]3Cc4ccc(Cl)cc4C3)CC2)CC1 ZINC001172712621 905795169 /nfs/dbraw/zinc/79/51/69/905795169.db2.gz BXTUURJDGQHJCG-NRFANRHFSA-N 2 2 390.955 3.547 20 0 GHADLP Cc1ccc2c(c1)C[C@@H]([NH2+]CCSCc1csc(C[NH+](C)C)n1)CC2 ZINC001172836115 905868809 /nfs/dbraw/zinc/86/88/09/905868809.db2.gz SETXIWBSYCDDGQ-SFHVURJKSA-N 2 2 375.607 3.893 20 0 GHADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001172959701 906066914 /nfs/dbraw/zinc/06/69/14/906066914.db2.gz PSFNXSDPHNWVHB-QGZVFWFLSA-N 2 2 391.556 3.592 20 0 GHADLP [NH3+]Cc1ccc(-c2c[nH+]cn2C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC001172997405 906072015 /nfs/dbraw/zinc/07/20/15/906072015.db2.gz JDXOLOZUBPVCLO-UHFFFAOYSA-N 2 2 378.451 3.625 20 0 GHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000177491856 906147420 /nfs/dbraw/zinc/14/74/20/906147420.db2.gz SVYMDHUAOUWBDW-SFHVURJKSA-N 2 2 375.557 3.616 20 0 GHADLP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000366069849 921301061 /nfs/dbraw/zinc/30/10/61/921301061.db2.gz VZMFOPGMJUMMDV-PKOBYXMFSA-N 2 2 388.556 3.676 20 0 GHADLP CN(C(=O)Nc1cccc2[nH]ccc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183077994 907323657 /nfs/dbraw/zinc/32/36/57/907323657.db2.gz DYDQBKPCZOSJGB-VXKWHMMOSA-N 2 2 397.567 3.969 20 0 GHADLP CN(C(=O)Nc1cccc2[nH]ccc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183077994 907323674 /nfs/dbraw/zinc/32/36/74/907323674.db2.gz DYDQBKPCZOSJGB-VXKWHMMOSA-N 2 2 397.567 3.969 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](Cc2ccccc2Nc2ccc(C[NH3+])cc2)CC1 ZINC001175972973 907845881 /nfs/dbraw/zinc/84/58/81/907845881.db2.gz LUKFHAUAQDONSI-UHFFFAOYSA-N 2 2 396.535 3.942 20 0 GHADLP CCC(CC)(C[NH2+][C@@H](C)C1CCS(=O)(=O)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000187230442 908058509 /nfs/dbraw/zinc/05/85/09/908058509.db2.gz NRXIEXRAEILQIR-ZWKOTPCHSA-N 2 2 380.598 3.699 20 0 GHADLP CCC(CC)(C[NH2+][C@H](C)C1CCS(=O)(=O)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000187230458 908058710 /nfs/dbraw/zinc/05/87/10/908058710.db2.gz NRXIEXRAEILQIR-QZTJIDSGSA-N 2 2 380.598 3.699 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]Cc3cccc4ncccc34)CC2)cc1 ZINC001177328054 908527813 /nfs/dbraw/zinc/52/78/13/908527813.db2.gz FBSAANUUBKSEIG-UHFFFAOYSA-N 2 2 388.559 3.922 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Br)o3)c2)CCO1 ZINC000190869087 908537410 /nfs/dbraw/zinc/53/74/10/908537410.db2.gz WPEWBRUBEOIRSD-CQSZACIVSA-N 2 2 379.298 3.553 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(Br)o3)c2)CCO1 ZINC000190869087 908537418 /nfs/dbraw/zinc/53/74/18/908537418.db2.gz WPEWBRUBEOIRSD-CQSZACIVSA-N 2 2 379.298 3.553 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cnc(-c4ccccc4)[nH]3)c2)CCO1 ZINC001177454566 908576185 /nfs/dbraw/zinc/57/61/85/908576185.db2.gz RKTPPBXWXZZRNQ-GOSISDBHSA-N 2 2 376.504 3.587 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(-c4ccccc4)[nH]3)c2)CCO1 ZINC001177454566 908576195 /nfs/dbraw/zinc/57/61/95/908576195.db2.gz RKTPPBXWXZZRNQ-GOSISDBHSA-N 2 2 376.504 3.587 20 0 GHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cnc(-c4ccccc4)[nH]3)c2)CCO1 ZINC001177454568 908576344 /nfs/dbraw/zinc/57/63/44/908576344.db2.gz RKTPPBXWXZZRNQ-SFHVURJKSA-N 2 2 376.504 3.587 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(-c4ccccc4)[nH]3)c2)CCO1 ZINC001177454568 908576354 /nfs/dbraw/zinc/57/63/54/908576354.db2.gz RKTPPBXWXZZRNQ-SFHVURJKSA-N 2 2 376.504 3.587 20 0 GHADLP CC1CC[NH+]([C@H](CNCc2ccnn2-c2cc[nH+]cc2)c2ccccc2)CC1 ZINC001177442524 908592936 /nfs/dbraw/zinc/59/29/36/908592936.db2.gz UPBKXYGKKIKXEH-HSZRJFAPSA-N 2 2 375.520 3.830 20 0 GHADLP OC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(Br)c1 ZINC001178176197 908924762 /nfs/dbraw/zinc/92/47/62/908924762.db2.gz HTSQZXLDHOAWPB-MRXNPFEDSA-N 2 2 378.295 3.520 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccsc1 ZINC000635279647 909202292 /nfs/dbraw/zinc/20/22/92/909202292.db2.gz PXQZZWBRCWVHQS-GJZGRUSLSA-N 2 2 388.459 3.637 20 0 GHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000635493982 909271868 /nfs/dbraw/zinc/27/18/68/909271868.db2.gz GBQKLPCWYPWYHW-GDBMZVCRSA-N 2 2 382.430 3.622 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000635656418 909317292 /nfs/dbraw/zinc/31/72/92/909317292.db2.gz LRANFBVMKBQWNM-BPQIPLTHSA-N 2 2 394.441 3.546 20 0 GHADLP C[C@@H]1C[C@@H](NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000635656418 909317306 /nfs/dbraw/zinc/31/73/06/909317306.db2.gz LRANFBVMKBQWNM-BPQIPLTHSA-N 2 2 394.441 3.546 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CCC1 ZINC000635987719 909401556 /nfs/dbraw/zinc/40/15/56/909401556.db2.gz YJHDMDLPQBLQEE-QGZVFWFLSA-N 2 2 394.441 3.548 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CCC1 ZINC000635987719 909401565 /nfs/dbraw/zinc/40/15/65/909401565.db2.gz YJHDMDLPQBLQEE-QGZVFWFLSA-N 2 2 394.441 3.548 20 0 GHADLP C[C@H]1C[C@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000267444880 909504094 /nfs/dbraw/zinc/50/40/94/909504094.db2.gz JSEJRQVKADUYIK-WMZHIEFXSA-N 2 2 388.515 3.714 20 0 GHADLP C[C@H]1C[C@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000267444880 909504103 /nfs/dbraw/zinc/50/41/03/909504103.db2.gz JSEJRQVKADUYIK-WMZHIEFXSA-N 2 2 388.515 3.714 20 0 GHADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2cccc(-c3ccc(Cl)cc3)c2)CC1 ZINC001180208965 910011216 /nfs/dbraw/zinc/01/12/16/910011216.db2.gz ULOUBZJSQHDTJK-UHFFFAOYSA-N 2 2 397.950 3.747 20 0 GHADLP C[C@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000269003448 910098466 /nfs/dbraw/zinc/09/84/66/910098466.db2.gz PTOYVZFNVFKXGE-KRWDZBQOSA-N 2 2 380.467 3.699 20 0 GHADLP Nc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000638305403 910111189 /nfs/dbraw/zinc/11/11/89/910111189.db2.gz WZZFSKQIVDSBGC-UHFFFAOYSA-N 2 2 380.319 3.698 20 0 GHADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)CC[C@@H]21 ZINC000270337151 910525745 /nfs/dbraw/zinc/52/57/45/910525745.db2.gz MZGACSDVPHKUPC-NQIIRXRSSA-N 2 2 391.519 3.550 20 0 GHADLP C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)CC[C@@H]21 ZINC000270337151 910525755 /nfs/dbraw/zinc/52/57/55/910525755.db2.gz MZGACSDVPHKUPC-NQIIRXRSSA-N 2 2 391.519 3.550 20 0 GHADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC001181244312 910625249 /nfs/dbraw/zinc/62/52/49/910625249.db2.gz PDSKBJWUHVNNON-MOPGFXCFSA-N 2 2 397.563 3.696 20 0 GHADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC001181244312 910625252 /nfs/dbraw/zinc/62/52/52/910625252.db2.gz PDSKBJWUHVNNON-MOPGFXCFSA-N 2 2 397.563 3.696 20 0 GHADLP COc1ccc(OCc2nc(C[N@H+](C)CCCn3cc[nH+]c3C)cs2)cc1 ZINC000271050677 910768308 /nfs/dbraw/zinc/76/83/08/910768308.db2.gz XBFCQSGBWLVUKO-UHFFFAOYSA-N 2 2 386.521 3.758 20 0 GHADLP COc1ccc(OCc2nc(C[N@@H+](C)CCCn3cc[nH+]c3C)cs2)cc1 ZINC000271050677 910768322 /nfs/dbraw/zinc/76/83/22/910768322.db2.gz XBFCQSGBWLVUKO-UHFFFAOYSA-N 2 2 386.521 3.758 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1Br ZINC000271516949 910940546 /nfs/dbraw/zinc/94/05/46/910940546.db2.gz OSKKSSXUNYOGDO-RZAIGCCYSA-N 2 2 385.321 3.617 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2cc(C[NH+](C)C)ccn2)cc1 ZINC000640563397 911066460 /nfs/dbraw/zinc/06/64/60/911066460.db2.gz NSZVJTSVGFDMHZ-OAHLLOKOSA-N 2 2 378.480 3.520 20 0 GHADLP COc1ncc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1Cl ZINC000284491546 911890565 /nfs/dbraw/zinc/89/05/65/911890565.db2.gz VFHSYGQBWOKAAX-AWEZNQCLSA-N 2 2 389.931 3.842 20 0 GHADLP COCOc1ccc(OC)cc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000093016764 912011786 /nfs/dbraw/zinc/01/17/86/912011786.db2.gz KDTJMXGLIRBXEG-LJQANCHMSA-N 2 2 376.541 3.766 20 0 GHADLP COCOc1ccc(OC)cc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000093016764 912011800 /nfs/dbraw/zinc/01/18/00/912011800.db2.gz KDTJMXGLIRBXEG-LJQANCHMSA-N 2 2 376.541 3.766 20 0 GHADLP COCOc1ccc(OC)cc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336941 912205206 /nfs/dbraw/zinc/20/52/06/912205206.db2.gz IKXIUNYITLSHBP-HXUWFJFHSA-N 2 2 384.520 3.632 20 0 GHADLP COCOc1ccc(OC)cc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336941 912205223 /nfs/dbraw/zinc/20/52/23/912205223.db2.gz IKXIUNYITLSHBP-HXUWFJFHSA-N 2 2 384.520 3.632 20 0 GHADLP COCOc1ccc(OC)cc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336941 912205240 /nfs/dbraw/zinc/20/52/40/912205240.db2.gz IKXIUNYITLSHBP-HXUWFJFHSA-N 2 2 384.520 3.632 20 0 GHADLP COCOc1ccc(OC)cc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336941 912205273 /nfs/dbraw/zinc/20/52/73/912205273.db2.gz IKXIUNYITLSHBP-HXUWFJFHSA-N 2 2 384.520 3.632 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nnn1-c1ccc(F)cc1 ZINC000647343997 915163985 /nfs/dbraw/zinc/16/39/85/915163985.db2.gz HMLKTAHEFWZJPM-PERKRYKHSA-N 2 2 393.510 3.711 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)nnn1-c1ccc(F)cc1 ZINC000647343997 915163997 /nfs/dbraw/zinc/16/39/97/915163997.db2.gz HMLKTAHEFWZJPM-PERKRYKHSA-N 2 2 393.510 3.711 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nnn1-c1ccc(C)cc1 ZINC000647344542 915164969 /nfs/dbraw/zinc/16/49/69/915164969.db2.gz TYYBQXOKRYIVBE-AAIMPIBUSA-N 2 2 389.547 3.880 20 0 GHADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)nnn1-c1ccc(C)cc1 ZINC000647344542 915164975 /nfs/dbraw/zinc/16/49/75/915164975.db2.gz TYYBQXOKRYIVBE-AAIMPIBUSA-N 2 2 389.547 3.880 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000647475985 915287128 /nfs/dbraw/zinc/28/71/28/915287128.db2.gz JSSLJBSCAPYYAZ-IBGZPJMESA-N 2 2 379.508 3.683 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc(C)c1OCc1ccccn1 ZINC000097287403 915484997 /nfs/dbraw/zinc/48/49/97/915484997.db2.gz BOWOBEMKUKQOEV-HSZRJFAPSA-N 2 2 397.563 3.724 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc(C)c1OCc1ccccn1 ZINC000097287403 915485004 /nfs/dbraw/zinc/48/50/04/915485004.db2.gz BOWOBEMKUKQOEV-HSZRJFAPSA-N 2 2 397.563 3.724 20 0 GHADLP Cc1c[nH+]c2n1CCC21CCN(C(=O)c2ccc(C3CC[NH+](C)CC3)cc2)CC1 ZINC001188308938 915906176 /nfs/dbraw/zinc/90/61/76/915906176.db2.gz UHKLVSGJHHEONV-UHFFFAOYSA-N 2 2 392.547 3.578 20 0 GHADLP CCOC(=O)c1csc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000293197999 916056876 /nfs/dbraw/zinc/05/68/76/916056876.db2.gz FOKQFVMJORFZGQ-UHFFFAOYSA-N 2 2 399.560 3.808 20 0 GHADLP CCOC(=O)c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000293197999 916056894 /nfs/dbraw/zinc/05/68/94/916056894.db2.gz FOKQFVMJORFZGQ-UHFFFAOYSA-N 2 2 399.560 3.808 20 0 GHADLP C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000649780554 916397009 /nfs/dbraw/zinc/39/70/09/916397009.db2.gz CPTBPPXAMDZBDI-UZLBHIALSA-N 2 2 377.492 3.833 20 0 GHADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001189746482 916868257 /nfs/dbraw/zinc/86/82/57/916868257.db2.gz QOHUVCGXWYHKKA-UHFFFAOYSA-N 2 2 378.476 3.723 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000294888640 917034218 /nfs/dbraw/zinc/03/42/18/917034218.db2.gz DUXRQPADXSRVHW-UWJYYQICSA-N 2 2 396.510 3.531 20 0 GHADLP CCc1ccc([C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[NH+](CC)CC)cc1 ZINC000652337497 917876006 /nfs/dbraw/zinc/87/60/06/917876006.db2.gz PTAKIEYJZBGQGT-NRFANRHFSA-N 2 2 382.552 3.524 20 0 GHADLP Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cs2)cc1 ZINC000652354811 917879068 /nfs/dbraw/zinc/87/90/68/917879068.db2.gz JBOOHGXATKNNCV-APWZRJJASA-N 2 2 386.565 3.582 20 0 GHADLP Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cs2)cc1 ZINC000652354811 917879077 /nfs/dbraw/zinc/87/90/77/917879077.db2.gz JBOOHGXATKNNCV-APWZRJJASA-N 2 2 386.565 3.582 20 0 GHADLP Cc1ccc(-c2csc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)n2)cc1 ZINC000367545098 922185458 /nfs/dbraw/zinc/18/54/58/922185458.db2.gz SIRVLRFAMOVOOE-NQIIRXRSSA-N 2 2 384.593 3.576 20 0 GHADLP Cc1ccc(-c2csc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)n2)cc1 ZINC000367545098 922185464 /nfs/dbraw/zinc/18/54/64/922185464.db2.gz SIRVLRFAMOVOOE-NQIIRXRSSA-N 2 2 384.593 3.576 20 0 GHADLP COc1cc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1OCCO ZINC000902762314 922479019 /nfs/dbraw/zinc/47/90/19/922479019.db2.gz LAQOSHRQJFXBRX-IRXDYDNUSA-N 2 2 381.476 3.664 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(C(F)(F)F)s1 ZINC000902986540 922685955 /nfs/dbraw/zinc/68/59/55/922685955.db2.gz CACGCDCXUYWPDD-FUDCBSFHSA-N 2 2 389.487 3.501 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(C(F)(F)F)s1 ZINC000902986540 922685963 /nfs/dbraw/zinc/68/59/63/922685963.db2.gz CACGCDCXUYWPDD-FUDCBSFHSA-N 2 2 389.487 3.501 20 0 GHADLP COc1cc(Br)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1OC ZINC000903117209 922785957 /nfs/dbraw/zinc/78/59/57/922785957.db2.gz QFKWIUXRLSVLPC-VHRNVKJDSA-N 2 2 395.341 3.714 20 0 GHADLP COc1cc(Br)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1OC ZINC000903117209 922785967 /nfs/dbraw/zinc/78/59/67/922785967.db2.gz QFKWIUXRLSVLPC-VHRNVKJDSA-N 2 2 395.341 3.714 20 0 GHADLP Cc1cc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)ccc1-c1ccccc1 ZINC000368733857 922834604 /nfs/dbraw/zinc/83/46/04/922834604.db2.gz VHWRNQDSEGPXOU-UHFFFAOYSA-N 2 2 393.575 3.548 20 0 GHADLP CC[N@H+](C[C@@H](O)CC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000368958524 923011935 /nfs/dbraw/zinc/01/19/35/923011935.db2.gz LNGSBBCGQWSGPF-INIZCTEOSA-N 2 2 388.478 3.512 20 0 GHADLP CC[N@@H+](C[C@@H](O)CC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000368958524 923011966 /nfs/dbraw/zinc/01/19/66/923011966.db2.gz LNGSBBCGQWSGPF-INIZCTEOSA-N 2 2 388.478 3.512 20 0 GHADLP COc1ccc(C[N@@H+]2CC[NH2+]CCC23CCOCC3)cc1SC(F)(F)F ZINC000903817787 923311798 /nfs/dbraw/zinc/31/17/98/923311798.db2.gz ITZYHFZTPWJLAH-UHFFFAOYSA-N 2 2 390.471 3.652 20 0 GHADLP COc1ccc(C[N@H+]2CC[NH2+]CCC23CCOCC3)cc1SC(F)(F)F ZINC000903817787 923311800 /nfs/dbraw/zinc/31/18/00/923311800.db2.gz ITZYHFZTPWJLAH-UHFFFAOYSA-N 2 2 390.471 3.652 20 0 GHADLP C[NH+](C)CCCC1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)CC1 ZINC000678047685 924592063 /nfs/dbraw/zinc/59/20/63/924592063.db2.gz ZNRJDQBEIUGJHB-UHFFFAOYSA-N 2 2 396.457 3.908 20 0 GHADLP C[NH+](C)Cc1ccnc(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1 ZINC000371518169 924625371 /nfs/dbraw/zinc/62/53/71/924625371.db2.gz HHHAPUVHQZUQQB-GOSISDBHSA-N 2 2 381.524 3.589 20 0 GHADLP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@H]3CCCc4ccc(Br)cc43)CC2)C1 ZINC000678311571 924719911 /nfs/dbraw/zinc/71/99/11/924719911.db2.gz HJFMQWFMGAYWEH-ICSRJNTNSA-N 2 2 392.385 3.538 20 0 GHADLP C[N@H+]1CCC[C@H](N2CC[NH+]([C@H]3CCCc4ccc(Br)cc43)CC2)C1 ZINC000678311571 924719922 /nfs/dbraw/zinc/71/99/22/924719922.db2.gz HJFMQWFMGAYWEH-ICSRJNTNSA-N 2 2 392.385 3.538 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000409533198 924739358 /nfs/dbraw/zinc/73/93/58/924739358.db2.gz FZWVWFXYEUUJKY-NHCUHLMSSA-N 2 2 385.939 3.896 20 0 GHADLP CN(C(=O)N[C@@H]1CCC(C)(C)c2ccccc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681214963 925763528 /nfs/dbraw/zinc/76/35/28/925763528.db2.gz LQJFAGJZEYSXLP-DENIHFKCSA-N 2 2 398.595 3.609 20 0 GHADLP CN(C(=O)N[C@@H]1CCC(C)(C)c2ccccc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681214963 925763530 /nfs/dbraw/zinc/76/35/30/925763530.db2.gz LQJFAGJZEYSXLP-DENIHFKCSA-N 2 2 398.595 3.609 20 0 GHADLP C[C@@H](CCC1CCCCC1)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218283 925764497 /nfs/dbraw/zinc/76/44/97/925764497.db2.gz JSWDZSYWHFRTDO-GHTZIAJQSA-N 2 2 378.605 3.545 20 0 GHADLP C[C@@H](CCC1CCCCC1)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218283 925764507 /nfs/dbraw/zinc/76/45/07/925764507.db2.gz JSWDZSYWHFRTDO-GHTZIAJQSA-N 2 2 378.605 3.545 20 0 GHADLP CN(C(=O)N[C@@H](CC1CCC1)c1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218494 925765330 /nfs/dbraw/zinc/76/53/30/925765330.db2.gz FNCLNYZMGIUENZ-PKTZIBPZSA-N 2 2 398.595 3.728 20 0 GHADLP CN(C(=O)N[C@@H](CC1CCC1)c1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218494 925765338 /nfs/dbraw/zinc/76/53/38/925765338.db2.gz FNCLNYZMGIUENZ-PKTZIBPZSA-N 2 2 398.595 3.728 20 0 GHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+]([C@H]4CCc5ccccc54)C3)CC2)nc1 ZINC000682069039 926002316 /nfs/dbraw/zinc/00/23/16/926002316.db2.gz IUIVUBXFUXHRSL-OFNKIYASSA-N 2 2 376.548 3.603 20 0 GHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+]([C@H]4CCc5ccccc54)C3)CC2)nc1 ZINC000682069039 926002323 /nfs/dbraw/zinc/00/23/23/926002323.db2.gz IUIVUBXFUXHRSL-OFNKIYASSA-N 2 2 376.548 3.603 20 0 GHADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373484107 926180866 /nfs/dbraw/zinc/18/08/66/926180866.db2.gz KNZJRJXGUJVUIN-LSJNQWAISA-N 2 2 397.485 3.823 20 0 GHADLP CC(C)(C)OC(=O)N(CC[NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000382853920 926355690 /nfs/dbraw/zinc/35/56/90/926355690.db2.gz PJIFQPOXWYNOPN-UHFFFAOYSA-N 2 2 376.545 3.676 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000411424887 926378441 /nfs/dbraw/zinc/37/84/41/926378441.db2.gz LFKKDPIZKHEPTC-OAHLLOKOSA-N 2 2 394.441 3.722 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000411424887 926378449 /nfs/dbraw/zinc/37/84/49/926378449.db2.gz LFKKDPIZKHEPTC-OAHLLOKOSA-N 2 2 394.441 3.722 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000411418853 926384706 /nfs/dbraw/zinc/38/47/06/926384706.db2.gz FZZAUMSEHQIDCQ-OAHLLOKOSA-N 2 2 385.899 3.621 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000411418853 926384712 /nfs/dbraw/zinc/38/47/12/926384712.db2.gz FZZAUMSEHQIDCQ-OAHLLOKOSA-N 2 2 385.899 3.621 20 0 GHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(OCc3nccn3C)cc1)CCC2 ZINC000374572997 927299383 /nfs/dbraw/zinc/29/93/83/927299383.db2.gz AKWVTIXSPUWFFL-PKOBYXMFSA-N 2 2 379.508 3.732 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1c(F)cccc1F ZINC000375379321 928235390 /nfs/dbraw/zinc/23/53/90/928235390.db2.gz LPXQBQRJWPHNSD-TWOQFEAHSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1c(F)cccc1F ZINC000375379321 928235400 /nfs/dbraw/zinc/23/54/00/928235400.db2.gz LPXQBQRJWPHNSD-TWOQFEAHSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1c(F)cccc1F ZINC000375379319 928235462 /nfs/dbraw/zinc/23/54/62/928235462.db2.gz LPXQBQRJWPHNSD-GUXCAODWSA-N 2 2 387.474 3.792 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1c(F)cccc1F ZINC000375379319 928235475 /nfs/dbraw/zinc/23/54/75/928235475.db2.gz LPXQBQRJWPHNSD-GUXCAODWSA-N 2 2 387.474 3.792 20 0 GHADLP COc1ccc(-c2noc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)n2)cc1 ZINC000543988299 928653435 /nfs/dbraw/zinc/65/34/35/928653435.db2.gz JWKXHEDNVVELKS-UHFFFAOYSA-N 2 2 381.480 3.634 20 0 GHADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543989162 928654719 /nfs/dbraw/zinc/65/47/19/928654719.db2.gz XHOYSLOWEHHRQQ-WOJBJXKFSA-N 2 2 382.552 3.684 20 0 GHADLP C[C@H](CNC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000543989160 928654955 /nfs/dbraw/zinc/65/49/55/928654955.db2.gz XHOYSLOWEHHRQQ-UXHICEINSA-N 2 2 382.552 3.684 20 0 GHADLP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543993491 928660884 /nfs/dbraw/zinc/66/08/84/928660884.db2.gz QURFTFSWJOSJCQ-RTBURBONSA-N 2 2 398.551 3.650 20 0 GHADLP Brc1cccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CCOCC2)c1 ZINC000467423553 929055851 /nfs/dbraw/zinc/05/58/51/929055851.db2.gz NEBJHWCEGVYKNH-MJGOQNOKSA-N 2 2 390.325 3.718 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(C)cc(Br)cn23)[C@@H](C)C1 ZINC000544347060 929077646 /nfs/dbraw/zinc/07/76/46/929077646.db2.gz CLHFHRCVJPLARF-WMLDXEAASA-N 2 2 379.346 3.567 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(C)cc(Br)cn23)[C@@H](C)C1 ZINC000544347060 929077655 /nfs/dbraw/zinc/07/76/55/929077655.db2.gz CLHFHRCVJPLARF-WMLDXEAASA-N 2 2 379.346 3.567 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc3c(C)cc(Br)cn23)[C@@H](C)C1 ZINC000544347060 929077663 /nfs/dbraw/zinc/07/76/63/929077663.db2.gz CLHFHRCVJPLARF-WMLDXEAASA-N 2 2 379.346 3.567 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc3c(C)cc(Br)cn23)[C@@H](C)C1 ZINC000544347060 929077673 /nfs/dbraw/zinc/07/76/73/929077673.db2.gz CLHFHRCVJPLARF-WMLDXEAASA-N 2 2 379.346 3.567 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C(=O)N1c1ccccc1 ZINC000781517971 930875481 /nfs/dbraw/zinc/87/54/81/930875481.db2.gz JYVWHFRPZODTKX-FDDCHVKYSA-N 2 2 392.547 3.505 20 0 GHADLP CC[NH+](CC)CCCC1CCN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000782502808 931244318 /nfs/dbraw/zinc/24/43/18/931244318.db2.gz HFSUCJIFRJCRGW-UHFFFAOYSA-N 2 2 390.572 3.751 20 0 GHADLP C[NH+]1CCN(C(C)(C)C[NH2+][C@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924630041 931454748 /nfs/dbraw/zinc/45/47/48/931454748.db2.gz VSOQXKRAARNCCL-QFIPXVFZSA-N 2 2 378.520 3.533 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cnn(C4CCC4)c3)cc2)CC1 ZINC000924692787 931477374 /nfs/dbraw/zinc/47/73/74/931477374.db2.gz QZDOFQYLUFTVGO-IBGZPJMESA-N 2 2 381.568 3.596 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1nc(Br)ccc1F ZINC000924861674 931565320 /nfs/dbraw/zinc/56/53/20/931565320.db2.gz KXZUPVZETTYTFQ-ZDUSSCGKSA-N 2 2 396.304 3.774 20 0 GHADLP CC[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000557885975 931739009 /nfs/dbraw/zinc/73/90/09/931739009.db2.gz BAGWSIIFTVGJKL-HXUWFJFHSA-N 2 2 383.502 3.830 20 0 GHADLP CC[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[N@H+]1CCc2ccccc2C1 ZINC000557885975 931739017 /nfs/dbraw/zinc/73/90/17/931739017.db2.gz BAGWSIIFTVGJKL-HXUWFJFHSA-N 2 2 383.502 3.830 20 0 GHADLP Cc1cc(C(F)F)oc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000626262037 931792886 /nfs/dbraw/zinc/79/28/86/931792886.db2.gz STGJFHKWVVPCHS-SJORKVTESA-N 2 2 397.510 3.935 20 0 GHADLP Cc1cc(C(F)F)oc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000626262037 931792894 /nfs/dbraw/zinc/79/28/94/931792894.db2.gz STGJFHKWVVPCHS-SJORKVTESA-N 2 2 397.510 3.935 20 0 GHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000558460206 932013715 /nfs/dbraw/zinc/01/37/15/932013715.db2.gz POKNGFZLVWVPRD-YVEFUNNKSA-N 2 2 379.957 3.878 20 0 GHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000558460206 932013726 /nfs/dbraw/zinc/01/37/26/932013726.db2.gz POKNGFZLVWVPRD-YVEFUNNKSA-N 2 2 379.957 3.878 20 0 GHADLP CC(C)COC(=O)N1CCC([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000796760338 932057497 /nfs/dbraw/zinc/05/74/97/932057497.db2.gz KPBCXZURWSALRD-GOSISDBHSA-N 2 2 375.557 3.962 20 0 GHADLP Cc1ccc([C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2ccccn2)cc1 ZINC000926127269 932057892 /nfs/dbraw/zinc/05/78/92/932057892.db2.gz USADXWRVKDQXGY-ZCYQVOJMSA-N 2 2 387.527 3.836 20 0 GHADLP Cc1ccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccn2)cc1 ZINC000926127269 932057895 /nfs/dbraw/zinc/05/78/95/932057895.db2.gz USADXWRVKDQXGY-ZCYQVOJMSA-N 2 2 387.527 3.836 20 0 GHADLP C[C@@H]1CN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)C[C@H](C)[N@H+]1C ZINC000558963900 932340558 /nfs/dbraw/zinc/34/05/58/932340558.db2.gz XHIJJZJSDYRTRB-IYBDPMFKSA-N 2 2 395.576 3.949 20 0 GHADLP C[C@@H]1CN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)C[C@H](C)[N@@H+]1C ZINC000558963900 932340566 /nfs/dbraw/zinc/34/05/66/932340566.db2.gz XHIJJZJSDYRTRB-IYBDPMFKSA-N 2 2 395.576 3.949 20 0 GHADLP CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000797966462 932474277 /nfs/dbraw/zinc/47/42/77/932474277.db2.gz POFLHVBQQBQPRY-UHFFFAOYSA-N 2 2 390.572 3.877 20 0 GHADLP CC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000797966462 932474279 /nfs/dbraw/zinc/47/42/79/932474279.db2.gz POFLHVBQQBQPRY-UHFFFAOYSA-N 2 2 390.572 3.877 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000798949086 932833413 /nfs/dbraw/zinc/83/34/13/932833413.db2.gz JDEAIJBNNUUFFH-CVDCTZTESA-N 2 2 398.551 3.941 20 0 GHADLP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000559844623 932902739 /nfs/dbraw/zinc/90/27/39/932902739.db2.gz ZYWFTJCRRWAWPJ-KRWDZBQOSA-N 2 2 378.245 3.836 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)c1OC ZINC000560536612 933322597 /nfs/dbraw/zinc/32/25/97/933322597.db2.gz OOKDWDQDXIWUME-CTNGQTDRSA-N 2 2 398.547 3.954 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)c1OC ZINC000560536612 933322607 /nfs/dbraw/zinc/32/26/07/933322607.db2.gz OOKDWDQDXIWUME-CTNGQTDRSA-N 2 2 398.547 3.954 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1cc(F)ccc1Br ZINC001116319173 933478195 /nfs/dbraw/zinc/47/81/95/933478195.db2.gz GCMNXYATAUNHGH-UHFFFAOYSA-N 2 2 389.228 3.659 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(F)c(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000560892783 933658724 /nfs/dbraw/zinc/65/87/24/933658724.db2.gz OHAXOCRYNXOBJW-HOCLYGCPSA-N 2 2 391.437 3.685 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(F)c(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000560892783 933658743 /nfs/dbraw/zinc/65/87/43/933658743.db2.gz OHAXOCRYNXOBJW-HOCLYGCPSA-N 2 2 391.437 3.685 20 0 GHADLP CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC001116743459 933731283 /nfs/dbraw/zinc/73/12/83/933731283.db2.gz NDJDMYXFAYYXFS-KRWDZBQOSA-N 2 2 382.346 3.714 20 0 GHADLP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC001116743459 933731288 /nfs/dbraw/zinc/73/12/88/933731288.db2.gz NDJDMYXFAYYXFS-KRWDZBQOSA-N 2 2 382.346 3.714 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]CCc3ccc(F)cc3F)CC2)cc1 ZINC001117788923 934023613 /nfs/dbraw/zinc/02/36/13/934023613.db2.gz BKOQARRSXJJBIU-UHFFFAOYSA-N 2 2 387.474 3.720 20 0 GHADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000930553785 934098649 /nfs/dbraw/zinc/09/86/49/934098649.db2.gz CJFBDJFPPDQUEM-GOSISDBHSA-N 2 2 379.508 3.548 20 0 GHADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000930553785 934098658 /nfs/dbraw/zinc/09/86/58/934098658.db2.gz CJFBDJFPPDQUEM-GOSISDBHSA-N 2 2 379.508 3.548 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)n1cc[nH+]c1 ZINC001137781611 935786638 /nfs/dbraw/zinc/78/66/38/935786638.db2.gz NHOFAEZIDKVNIU-SSGKUCQKSA-N 2 2 394.563 3.887 20 0 GHADLP CC(C)C[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)n1cc[nH+]c1 ZINC001137781611 935786642 /nfs/dbraw/zinc/78/66/42/935786642.db2.gz NHOFAEZIDKVNIU-SSGKUCQKSA-N 2 2 394.563 3.887 20 0 GHADLP COc1ccc(Br)c(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1 ZINC001137907095 935860149 /nfs/dbraw/zinc/86/01/49/935860149.db2.gz ZFYYYTHOECODGP-UHFFFAOYSA-N 2 2 390.325 3.900 20 0 GHADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1n[nH]c3c1CC[NH+](Cc1ccccc1)C3)C2 ZINC001226707218 1032086056 /nfs/dbraw/zinc/08/60/56/1032086056.db2.gz TUMVQAQTKMWWFA-PMOLBWCYSA-N 2 2 380.536 3.751 20 0 GHADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1n[nH]c3c1CC[NH+](Cc1ccccc1)C3)C2 ZINC001226707218 1032086072 /nfs/dbraw/zinc/08/60/72/1032086072.db2.gz TUMVQAQTKMWWFA-PMOLBWCYSA-N 2 2 380.536 3.751 20 0 GHADLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](Oc1n[nH]c3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001226707218 1032086085 /nfs/dbraw/zinc/08/60/85/1032086085.db2.gz TUMVQAQTKMWWFA-PMOLBWCYSA-N 2 2 380.536 3.751 20 0 GHADLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](Oc1n[nH]c3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001226707218 1032086099 /nfs/dbraw/zinc/08/60/99/1032086099.db2.gz TUMVQAQTKMWWFA-PMOLBWCYSA-N 2 2 380.536 3.751 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000545204909 1015651397 /nfs/dbraw/zinc/65/13/97/1015651397.db2.gz LWMIDSRJUODVJM-UHFFFAOYSA-N 2 2 382.504 3.986 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C)c2Br)[C@H](C)C1 ZINC000468789892 1016033482 /nfs/dbraw/zinc/03/34/82/1016033482.db2.gz CRKLPMQQAKYNGK-SJLPKXTDSA-N 2 2 383.374 3.984 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C)c2Br)[C@H](C)C1 ZINC000468789892 1016033492 /nfs/dbraw/zinc/03/34/92/1016033492.db2.gz CRKLPMQQAKYNGK-SJLPKXTDSA-N 2 2 383.374 3.984 20 0 GHADLP CCC(CC)[C@H](C(=O)Nc1ccc(C[NH+](CC)CC)cc1)[NH+]1CCOCC1 ZINC000470115123 1016725945 /nfs/dbraw/zinc/72/59/45/1016725945.db2.gz ZDEBOJBCLCXLHD-OAQYLSRUSA-N 2 2 375.557 3.604 20 0 GHADLP CCc1csc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000557705840 1017033540 /nfs/dbraw/zinc/03/35/40/1017033540.db2.gz YCYAETSSACGSOH-ZWKOTPCHSA-N 2 2 393.601 3.506 20 0 GHADLP CCc1csc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000557705840 1017033551 /nfs/dbraw/zinc/03/35/51/1017033551.db2.gz YCYAETSSACGSOH-ZWKOTPCHSA-N 2 2 393.601 3.506 20 0 GHADLP Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000925138452 1017042079 /nfs/dbraw/zinc/04/20/79/1017042079.db2.gz GUUPYHOGYKGIRQ-ZDUSSCGKSA-N 2 2 396.457 3.913 20 0 GHADLP COc1cccc(-c2nc3ccccc3c(-n3c[nH+]cc3C3CC[NH2+]CC3)n2)c1 ZINC001155063900 1032398743 /nfs/dbraw/zinc/39/87/43/1032398743.db2.gz JFDZHXJXVXDBCR-UHFFFAOYSA-N 2 2 385.471 3.958 20 0 GHADLP c1[nH+]cn(-c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)c1C1CC[NH2+]CC1 ZINC001155063402 1032398998 /nfs/dbraw/zinc/39/89/98/1032398998.db2.gz SOFUZQYEPJVRBL-UHFFFAOYSA-N 2 2 388.519 3.787 20 0 GHADLP CSCc1cc[nH+]c(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155361117 1032519394 /nfs/dbraw/zinc/51/93/94/1032519394.db2.gz JKOGAWAHNJOXPX-NRFANRHFSA-N 3 2 396.604 3.858 20 0 GHADLP CSCc1cc[nH+]c(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155361117 1032519397 /nfs/dbraw/zinc/51/93/97/1032519397.db2.gz JKOGAWAHNJOXPX-NRFANRHFSA-N 3 2 396.604 3.858 20 0 GHADLP COc1c[nH+]c(N[C@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)nc1NC(C)C ZINC001155431603 1032538814 /nfs/dbraw/zinc/53/88/14/1032538814.db2.gz VJIXULNMECMRSX-SFHVURJKSA-N 2 2 381.524 3.792 20 0 GHADLP Cc1ccc2c(c1)[C@@H](Nc1cc(N3CCSCC3)nc[nH+]1)CC21CC[NH2+]CC1 ZINC001155443691 1032544861 /nfs/dbraw/zinc/54/48/61/1032544861.db2.gz QCFWTOKUYZEASP-IBGZPJMESA-N 2 2 395.576 3.516 20 0 GHADLP Cc1ccc2c(c1)[C@@H](Nc1cc(N3CCSCC3)[nH+]cn1)CC21CC[NH2+]CC1 ZINC001155443691 1032544872 /nfs/dbraw/zinc/54/48/72/1032544872.db2.gz QCFWTOKUYZEASP-IBGZPJMESA-N 2 2 395.576 3.516 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NCc3ccccc3)C2)s1 ZINC000558396140 1017191895 /nfs/dbraw/zinc/19/18/95/1017191895.db2.gz FDHPWCITRPUNGL-ICSRJNTNSA-N 2 2 385.577 3.515 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)NCc3ccccc3)C2)s1 ZINC000558396140 1017191904 /nfs/dbraw/zinc/19/19/04/1017191904.db2.gz FDHPWCITRPUNGL-ICSRJNTNSA-N 2 2 385.577 3.515 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NCc3ccccc3)C2)s1 ZINC000558396140 1017191908 /nfs/dbraw/zinc/19/19/08/1017191908.db2.gz FDHPWCITRPUNGL-ICSRJNTNSA-N 2 2 385.577 3.515 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NCc3ccccc3)C2)s1 ZINC000558396140 1017191920 /nfs/dbraw/zinc/19/19/20/1017191920.db2.gz FDHPWCITRPUNGL-ICSRJNTNSA-N 2 2 385.577 3.515 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)c1cccc2c[nH+]cn21)c1ccc(Cl)cc1Cl ZINC001155799386 1032711351 /nfs/dbraw/zinc/71/13/51/1032711351.db2.gz HXVGLKMOZNKZGW-KRWDZBQOSA-N 2 2 377.275 3.674 20 0 GHADLP CC(C)(C)OC(=O)Nc1cccc(C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000931286685 1017953812 /nfs/dbraw/zinc/95/38/12/1017953812.db2.gz NPQIATMLLMHNKN-UHFFFAOYSA-N 2 2 389.540 3.720 20 0 GHADLP CC(C)(C)OC(=O)Nc1cccc(C[NH+]2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000931286685 1017953817 /nfs/dbraw/zinc/95/38/17/1017953817.db2.gz NPQIATMLLMHNKN-UHFFFAOYSA-N 2 2 389.540 3.720 20 0 GHADLP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000566383377 1019225182 /nfs/dbraw/zinc/22/51/82/1019225182.db2.gz HBYLTXIBJJXBCU-SFHVURJKSA-N 2 2 391.519 3.998 20 0 GHADLP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000566383377 1019225188 /nfs/dbraw/zinc/22/51/88/1019225188.db2.gz HBYLTXIBJJXBCU-SFHVURJKSA-N 2 2 391.519 3.998 20 0 GHADLP COc1ccccc1/C=C/C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000567428653 1019293317 /nfs/dbraw/zinc/29/33/17/1019293317.db2.gz LSMWVCHZTHIAKS-IWXKUNQBSA-N 2 2 391.559 3.601 20 0 GHADLP COc1ccccc1/C=C/C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000567428653 1019293333 /nfs/dbraw/zinc/29/33/33/1019293333.db2.gz LSMWVCHZTHIAKS-IWXKUNQBSA-N 2 2 391.559 3.601 20 0 GHADLP Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)c1 ZINC000567990689 1019364217 /nfs/dbraw/zinc/36/42/17/1019364217.db2.gz WYTOTDLHICMFOC-UHOSZYNNSA-N 2 2 398.576 3.500 20 0 GHADLP Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)c1 ZINC000567990689 1019364227 /nfs/dbraw/zinc/36/42/27/1019364227.db2.gz WYTOTDLHICMFOC-UHOSZYNNSA-N 2 2 398.576 3.500 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cccc(Cl)c1 ZINC001155997982 1032829954 /nfs/dbraw/zinc/82/99/54/1032829954.db2.gz NTJBCFCIQXGMOY-PMACEKPBSA-N 2 2 377.960 3.856 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cccc(Cl)c1 ZINC001155997982 1032829977 /nfs/dbraw/zinc/82/99/77/1032829977.db2.gz NTJBCFCIQXGMOY-PMACEKPBSA-N 2 2 377.960 3.856 20 0 GHADLP FC(F)(F)Oc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204416535 1032847350 /nfs/dbraw/zinc/84/73/50/1032847350.db2.gz XIJLVFZKYVZFSV-HDICACEKSA-N 2 2 377.410 3.544 20 0 GHADLP FC(F)(F)Oc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204416535 1032847360 /nfs/dbraw/zinc/84/73/60/1032847360.db2.gz XIJLVFZKYVZFSV-HDICACEKSA-N 2 2 377.410 3.544 20 0 GHADLP FC(F)(F)Oc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204416535 1032847376 /nfs/dbraw/zinc/84/73/76/1032847376.db2.gz XIJLVFZKYVZFSV-HDICACEKSA-N 2 2 377.410 3.544 20 0 GHADLP FC(F)(F)Oc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204416535 1032847397 /nfs/dbraw/zinc/84/73/97/1032847397.db2.gz XIJLVFZKYVZFSV-HDICACEKSA-N 2 2 377.410 3.544 20 0 GHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)CCC3)cc1 ZINC000576934811 1020090430 /nfs/dbraw/zinc/09/04/30/1020090430.db2.gz HFMJSHVQLZTSJI-UWWQBHOKSA-N 2 2 387.549 3.553 20 0 GHADLP C[NH+](C)C1(CNc2nc(C(F)F)nc3ccc(Cl)cc32)CC[NH+](C)CC1 ZINC001156187937 1032916115 /nfs/dbraw/zinc/91/61/15/1032916115.db2.gz PBTBQWKRLKHXGY-UHFFFAOYSA-N 2 2 383.874 3.659 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000630033322 1020793544 /nfs/dbraw/zinc/79/35/44/1020793544.db2.gz VPPIYWGLSKCDDZ-CVDCTZTESA-N 2 2 377.532 3.511 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000630033322 1020793549 /nfs/dbraw/zinc/79/35/49/1020793549.db2.gz VPPIYWGLSKCDDZ-CVDCTZTESA-N 2 2 377.532 3.511 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000642251604 1021087786 /nfs/dbraw/zinc/08/77/86/1021087786.db2.gz QMMMCFNBESEFCY-JOCHJYFZSA-N 2 2 376.504 3.744 20 0 GHADLP C[NH+]1CCN(C2C[NH+](Cc3cccc(-c4ccccc4C(F)(F)F)c3)C2)CC1 ZINC001140259813 1021273665 /nfs/dbraw/zinc/27/36/65/1021273665.db2.gz YCZKTDGDWLXROC-UHFFFAOYSA-N 2 2 389.465 3.804 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(-c4nccs4)c3)CC2)C1 ZINC001140340255 1021448751 /nfs/dbraw/zinc/44/87/51/1021448751.db2.gz TWMQFPYGSXVZCJ-IBGZPJMESA-N 2 2 399.560 3.660 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(-c4nccs4)c3)CC2)C1 ZINC001140340255 1021448752 /nfs/dbraw/zinc/44/87/52/1021448752.db2.gz TWMQFPYGSXVZCJ-IBGZPJMESA-N 2 2 399.560 3.660 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C(F)(F)F)cn1 ZINC000902920100 1021550026 /nfs/dbraw/zinc/55/00/26/1021550026.db2.gz BNVRAMCWXBOYQO-CJNGLKHVSA-N 2 2 379.430 3.809 20 0 GHADLP CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000677496662 1021838034 /nfs/dbraw/zinc/83/80/34/1021838034.db2.gz IOIDGDDCPKSJGG-SFHVURJKSA-N 2 2 379.508 3.596 20 0 GHADLP Oc1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)ccc1OC(F)F ZINC001140626111 1022105037 /nfs/dbraw/zinc/10/50/37/1022105037.db2.gz QVISWXKBFGVTOH-GASCZTMLSA-N 2 2 380.460 3.619 20 0 GHADLP Oc1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)ccc1OC(F)F ZINC001140626111 1022105043 /nfs/dbraw/zinc/10/50/43/1022105043.db2.gz QVISWXKBFGVTOH-GASCZTMLSA-N 2 2 380.460 3.619 20 0 GHADLP Oc1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)ccc1OC(F)F ZINC001140626111 1022105068 /nfs/dbraw/zinc/10/50/68/1022105068.db2.gz QVISWXKBFGVTOH-GASCZTMLSA-N 2 2 380.460 3.619 20 0 GHADLP Oc1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)ccc1OC(F)F ZINC001140626111 1022105076 /nfs/dbraw/zinc/10/50/76/1022105076.db2.gz QVISWXKBFGVTOH-GASCZTMLSA-N 2 2 380.460 3.619 20 0 GHADLP CN(C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681212134 1022267072 /nfs/dbraw/zinc/26/70/72/1022267072.db2.gz NESFDYQQEGVSNI-YTFSRNRJSA-N 2 2 398.595 3.523 20 0 GHADLP CN(C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681212134 1022267084 /nfs/dbraw/zinc/26/70/84/1022267084.db2.gz NESFDYQQEGVSNI-YTFSRNRJSA-N 2 2 398.595 3.523 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC(C)(C)CC3CCCCCC3)C2)CC1 ZINC000681967667 1022342898 /nfs/dbraw/zinc/34/28/98/1022342898.db2.gz KZQUPFHAKCQUGN-LJQANCHMSA-N 2 2 378.605 3.593 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC(C)(C)CC3CCCCCC3)C2)CC1 ZINC000681967667 1022342917 /nfs/dbraw/zinc/34/29/17/1022342917.db2.gz KZQUPFHAKCQUGN-LJQANCHMSA-N 2 2 378.605 3.593 20 0 GHADLP C[C@H]([NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754479129 1022729633 /nfs/dbraw/zinc/72/96/33/1022729633.db2.gz WBSRUYSQPOHJSA-RYUDHWBXSA-N 2 2 378.870 3.835 20 0 GHADLP C[C@H]([NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754479129 1022729641 /nfs/dbraw/zinc/72/96/41/1022729641.db2.gz WBSRUYSQPOHJSA-RYUDHWBXSA-N 2 2 378.870 3.835 20 0 GHADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)F)c(OCC4CC4)c3)C[C@H]2C1 ZINC001140908714 1022848846 /nfs/dbraw/zinc/84/88/46/1022848846.db2.gz MEUVALQQWPOIMG-QZTJIDSGSA-N 2 2 380.479 3.850 20 0 GHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1csc2ccccc21 ZINC000754735607 1022869329 /nfs/dbraw/zinc/86/93/29/1022869329.db2.gz VCTUQJHRSYSGDB-QGZVFWFLSA-N 2 2 394.544 3.686 20 0 GHADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1csc2ccccc21 ZINC000754737117 1022869692 /nfs/dbraw/zinc/86/96/92/1022869692.db2.gz XCFRSBTYJUTZFX-INIZCTEOSA-N 2 2 399.585 3.958 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000755987774 1023467894 /nfs/dbraw/zinc/46/78/94/1023467894.db2.gz CUADKZOOYMJXAH-PLMTUMEDSA-N 2 2 399.485 3.713 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000755987774 1023467897 /nfs/dbraw/zinc/46/78/97/1023467897.db2.gz CUADKZOOYMJXAH-PLMTUMEDSA-N 2 2 399.485 3.713 20 0 GHADLP FC(F)(F)c1ccc(C[NH+]2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)cc1 ZINC001205026566 1033217866 /nfs/dbraw/zinc/21/78/66/1033217866.db2.gz SHBKODLYWCDQTJ-UHFFFAOYSA-N 2 2 395.494 3.730 20 0 GHADLP CCc1cccc2c(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)c[nH]c21 ZINC001138361890 1024726126 /nfs/dbraw/zinc/72/61/26/1024726126.db2.gz BRUORCIEVQAEHF-UHFFFAOYSA-N 2 2 391.563 3.971 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3sc4ccccc4c3C)C2)C1 ZINC001138461083 1024889212 /nfs/dbraw/zinc/88/92/12/1024889212.db2.gz BPEWEAZWSROASK-JOCHJYFZSA-N 2 2 388.577 3.771 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3sc4ccccc4c3C)C2)C1 ZINC001138461083 1024889229 /nfs/dbraw/zinc/88/92/29/1024889229.db2.gz BPEWEAZWSROASK-JOCHJYFZSA-N 2 2 388.577 3.771 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3sc4ccccc4c3C)C2)C1 ZINC001138461083 1024889240 /nfs/dbraw/zinc/88/92/40/1024889240.db2.gz BPEWEAZWSROASK-JOCHJYFZSA-N 2 2 388.577 3.771 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3sc4ccccc4c3C)C2)C1 ZINC001138461083 1024889254 /nfs/dbraw/zinc/88/92/54/1024889254.db2.gz BPEWEAZWSROASK-JOCHJYFZSA-N 2 2 388.577 3.771 20 0 GHADLP Cc1c2ccccc2sc1C[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001138461213 1024889303 /nfs/dbraw/zinc/88/93/03/1024889303.db2.gz ALVPGLRVVWCQDS-UHFFFAOYSA-N 2 2 393.560 3.922 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc1Cl ZINC001138473637 1024902792 /nfs/dbraw/zinc/90/27/92/1024902792.db2.gz WYLRZMNNHHSOMK-UHFFFAOYSA-N 2 2 390.911 3.809 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc1Cl ZINC001138473637 1024902794 /nfs/dbraw/zinc/90/27/94/1024902794.db2.gz WYLRZMNNHHSOMK-UHFFFAOYSA-N 2 2 390.911 3.809 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001138544549 1024988506 /nfs/dbraw/zinc/98/85/06/1024988506.db2.gz LFGVSDJMKHXWKT-PMACEKPBSA-N 3 2 378.545 3.806 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1OC(F)F ZINC001138553282 1025008826 /nfs/dbraw/zinc/00/88/26/1025008826.db2.gz CSHKYKWQPIUWCF-OALUTQOASA-N 2 2 388.458 3.860 20 0 GHADLP COCC[N@H+](Cc1ccc(-n2cnc3ccccc32)cc1)C1CC[NH+](C)CC1 ZINC001138583447 1025063357 /nfs/dbraw/zinc/06/33/57/1025063357.db2.gz ILFKYZKVAMGWNK-UHFFFAOYSA-N 2 2 378.520 3.568 20 0 GHADLP COCC[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)C1CC[NH+](C)CC1 ZINC001138583447 1025063371 /nfs/dbraw/zinc/06/33/71/1025063371.db2.gz ILFKYZKVAMGWNK-UHFFFAOYSA-N 2 2 378.520 3.568 20 0 GHADLP CCSc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001138655905 1025172739 /nfs/dbraw/zinc/17/27/39/1025172739.db2.gz SLKWGTAKYNOAGS-SESVDKBCSA-N 2 2 397.592 3.716 20 0 GHADLP CCSc1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001138655905 1025172744 /nfs/dbraw/zinc/17/27/44/1025172744.db2.gz SLKWGTAKYNOAGS-SESVDKBCSA-N 2 2 397.592 3.716 20 0 GHADLP CCSc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001138655905 1025172753 /nfs/dbraw/zinc/17/27/53/1025172753.db2.gz SLKWGTAKYNOAGS-SESVDKBCSA-N 2 2 397.592 3.716 20 0 GHADLP CCSc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001138655905 1025172762 /nfs/dbraw/zinc/17/27/62/1025172762.db2.gz SLKWGTAKYNOAGS-SESVDKBCSA-N 2 2 397.592 3.716 20 0 GHADLP C[NH+]1CCN(c2cccc(N[C@H]3CCOc4cc(C(F)(F)F)ccc43)[nH+]2)CC1 ZINC001161928040 1025499010 /nfs/dbraw/zinc/49/90/10/1025499010.db2.gz FEQPJJPQTCIETO-INIZCTEOSA-N 2 2 392.425 3.788 20 0 GHADLP COc1cc2ccc(N3CCC([NH3+])(Cc4ccccc4F)CC3)[nH+]c2cc1OC ZINC001161988594 1025523463 /nfs/dbraw/zinc/52/34/63/1025523463.db2.gz MZHCQJOXJXENEX-UHFFFAOYSA-N 2 2 395.478 3.932 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(I)o2)C2CCCC2)CC1 ZINC001138902311 1025549310 /nfs/dbraw/zinc/54/93/10/1025549310.db2.gz OZOTZELZNKFOHI-UHFFFAOYSA-N 2 2 388.293 3.723 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(I)o2)C2CCCC2)CC1 ZINC001138902311 1025549322 /nfs/dbraw/zinc/54/93/22/1025549322.db2.gz OZOTZELZNKFOHI-UHFFFAOYSA-N 2 2 388.293 3.723 20 0 GHADLP C[N@H+](CCc1cccc(C(F)(F)F)n1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139052632 1025841008 /nfs/dbraw/zinc/84/10/08/1025841008.db2.gz HSYUWELASMMMKN-UHFFFAOYSA-N 2 2 393.453 3.607 20 0 GHADLP C[N@@H+](CCc1cccc(C(F)(F)F)n1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139052632 1025841025 /nfs/dbraw/zinc/84/10/25/1025841025.db2.gz HSYUWELASMMMKN-UHFFFAOYSA-N 2 2 393.453 3.607 20 0 GHADLP c1ccc(CO[C@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC001139058759 1025846581 /nfs/dbraw/zinc/84/65/81/1025846581.db2.gz AQULDJCMZVPLOS-DEOSSOPVSA-N 2 2 380.532 3.700 20 0 GHADLP c1ccc(CO[C@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC001139058759 1025846600 /nfs/dbraw/zinc/84/66/00/1025846600.db2.gz AQULDJCMZVPLOS-DEOSSOPVSA-N 2 2 380.532 3.700 20 0 GHADLP COC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001139060322 1025852647 /nfs/dbraw/zinc/85/26/47/1025852647.db2.gz ROOSSHVHVLTLQT-QHCPKHFHSA-N 2 2 394.515 3.643 20 0 GHADLP COC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001139060322 1025852665 /nfs/dbraw/zinc/85/26/65/1025852665.db2.gz ROOSSHVHVLTLQT-QHCPKHFHSA-N 2 2 394.515 3.643 20 0 GHADLP C[N@@H+]1CCN(CCC[NH2+]Cc2c[nH]c(-c3ccccc3)n2)[C@@H](c2ccccc2)C1 ZINC001461038662 1069353336 /nfs/dbraw/zinc/35/33/36/1069353336.db2.gz XMEVJSRIVIFNDA-HSZRJFAPSA-N 2 2 389.547 3.545 20 0 GHADLP C[N@H+]1CCN(CCC[NH2+]Cc2c[nH]c(-c3ccccc3)n2)[C@@H](c2ccccc2)C1 ZINC001461038662 1069353347 /nfs/dbraw/zinc/35/33/47/1069353347.db2.gz XMEVJSRIVIFNDA-HSZRJFAPSA-N 2 2 389.547 3.545 20 0 GHADLP CC(C)C[C@H](C(=O)N(C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001162920516 1025968189 /nfs/dbraw/zinc/96/81/89/1025968189.db2.gz LNZAXSVAOZHHST-FGZHOGPDSA-N 2 2 382.552 3.982 20 0 GHADLP CC(C)C[C@H](C(=O)N(C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001162920516 1025968192 /nfs/dbraw/zinc/96/81/92/1025968192.db2.gz LNZAXSVAOZHHST-FGZHOGPDSA-N 2 2 382.552 3.982 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](c4cccc(Cl)c4)C3)s2)CC1 ZINC001139323785 1026182231 /nfs/dbraw/zinc/18/22/31/1026182231.db2.gz RXYQSCZKNRUACO-MRXNPFEDSA-N 2 2 376.957 3.538 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](c4cccc(Cl)c4)C3)s2)CC1 ZINC001139323785 1026182243 /nfs/dbraw/zinc/18/22/43/1026182243.db2.gz RXYQSCZKNRUACO-MRXNPFEDSA-N 2 2 376.957 3.538 20 0 GHADLP O=C(c1ccco1)N1CCC2(C1)CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001139358482 1026231395 /nfs/dbraw/zinc/23/13/95/1026231395.db2.gz NOODDJPDEJVLGT-UHFFFAOYSA-N 2 2 390.487 3.594 20 0 GHADLP FC(F)(F)c1nc([C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)no1 ZINC001139360629 1026235262 /nfs/dbraw/zinc/23/52/62/1026235262.db2.gz ZYTCJYOJUGEBEB-AWEZNQCLSA-N 2 2 377.370 3.654 20 0 GHADLP FC(F)(F)c1nc([C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)no1 ZINC001139360629 1026235271 /nfs/dbraw/zinc/23/52/71/1026235271.db2.gz ZYTCJYOJUGEBEB-AWEZNQCLSA-N 2 2 377.370 3.654 20 0 GHADLP CCOC(=O)c1c[nH]c2cc(N3CC[NH+](C/C=C/c4ccccc4)CC3)[nH+]cc21 ZINC001163850520 1026339538 /nfs/dbraw/zinc/33/95/38/1026339538.db2.gz TYAYCDMSEZRFCO-RMKNXTFCSA-N 2 2 390.487 3.575 20 0 GHADLP O=C1N(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)[C@@H](c2cccnc2)C12CCC2 ZINC000839962981 1026377994 /nfs/dbraw/zinc/37/79/94/1026377994.db2.gz GDKYBIBOWFQJOT-QFIPXVFZSA-N 2 2 396.579 3.681 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cn4ccncc4n3)C[C@@H]21 ZINC001139695861 1026545061 /nfs/dbraw/zinc/54/50/61/1026545061.db2.gz ZFNBUOFIRDCACD-FFZOFVMBSA-N 2 2 381.549 3.523 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cn4ccncc4n3)C[C@@H]21 ZINC001139695861 1026545065 /nfs/dbraw/zinc/54/50/65/1026545065.db2.gz ZFNBUOFIRDCACD-FFZOFVMBSA-N 2 2 381.549 3.523 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cn4ccncc4n3)C[C@@H]21 ZINC001139695861 1026545069 /nfs/dbraw/zinc/54/50/69/1026545069.db2.gz ZFNBUOFIRDCACD-FFZOFVMBSA-N 2 2 381.549 3.523 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cn4ccncc4n3)C[C@@H]21 ZINC001139695861 1026545074 /nfs/dbraw/zinc/54/50/74/1026545074.db2.gz ZFNBUOFIRDCACD-FFZOFVMBSA-N 2 2 381.549 3.523 20 0 GHADLP C[N@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)Cc1cccc2cccnc21 ZINC001139763958 1026602707 /nfs/dbraw/zinc/60/27/07/1026602707.db2.gz WSNHKMVRYTVDNN-UHFFFAOYSA-N 2 2 391.515 3.578 20 0 GHADLP C[N@@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)Cc1cccc2cccnc21 ZINC001139763958 1026602712 /nfs/dbraw/zinc/60/27/12/1026602712.db2.gz WSNHKMVRYTVDNN-UHFFFAOYSA-N 2 2 391.515 3.578 20 0 GHADLP CC(C)(C)c1ccc(C[NH+]2CCN(c3cccc(N4CCOCC4)[nH+]3)CC2)cc1 ZINC001165097454 1026605325 /nfs/dbraw/zinc/60/53/25/1026605325.db2.gz DFFSEOYBJOZDMX-UHFFFAOYSA-N 2 2 394.563 3.538 20 0 GHADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@]4(C3)CCC[NH2+]C4)c12 ZINC001165244884 1026678243 /nfs/dbraw/zinc/67/82/43/1026678243.db2.gz YTKOJZKSEFLSRQ-HSZRJFAPSA-N 2 2 375.520 3.676 20 0 GHADLP CSCc1nc2sc3c(c2c(-n2c(C)[nH+]c4c2CC[NH2+]CC4)n1)CCCC3 ZINC001165354725 1026710761 /nfs/dbraw/zinc/71/07/61/1026710761.db2.gz ICWLACORRLVYBE-UHFFFAOYSA-N 2 2 399.589 3.615 20 0 GHADLP CCCN(CCC)c1cc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc[nH+]1 ZINC001165418750 1026722303 /nfs/dbraw/zinc/72/23/03/1026722303.db2.gz TVBIBNMHHOJVIX-OFNKIYASSA-N 2 2 379.552 3.687 20 0 GHADLP CCCN(CCC)c1cc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)[nH+]cn1 ZINC001165418750 1026722313 /nfs/dbraw/zinc/72/23/13/1026722313.db2.gz TVBIBNMHHOJVIX-OFNKIYASSA-N 2 2 379.552 3.687 20 0 GHADLP Cc1sc2nc(C[NH+](C)C)nc(NCC3C[NH+](Cc4ccccc4)C3)c2c1C ZINC001165443187 1026729072 /nfs/dbraw/zinc/72/90/72/1026729072.db2.gz XDZCBUILZBBAPD-UHFFFAOYSA-N 2 2 395.576 3.914 20 0 GHADLP CCCN(CCC)c1cc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc[nH+]1 ZINC001165671188 1026791963 /nfs/dbraw/zinc/79/19/63/1026791963.db2.gz YDEBQKGJJGCTQT-SFHVURJKSA-N 2 2 389.588 3.619 20 0 GHADLP CCCN(CCC)c1cc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)[nH+]cn1 ZINC001165671188 1026791971 /nfs/dbraw/zinc/79/19/71/1026791971.db2.gz YDEBQKGJJGCTQT-SFHVURJKSA-N 2 2 389.588 3.619 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001140025888 1026813107 /nfs/dbraw/zinc/81/31/07/1026813107.db2.gz FWHUQIXTYZRQQF-QUCCMNQESA-N 2 2 396.535 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001140025888 1026813111 /nfs/dbraw/zinc/81/31/11/1026813111.db2.gz FWHUQIXTYZRQQF-QUCCMNQESA-N 2 2 396.535 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001140030188 1026819664 /nfs/dbraw/zinc/81/96/64/1026819664.db2.gz XRXODUMSLLVZBM-IHPCNDPISA-N 2 2 396.535 3.916 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001140030188 1026819673 /nfs/dbraw/zinc/81/96/73/1026819673.db2.gz XRXODUMSLLVZBM-IHPCNDPISA-N 2 2 396.535 3.916 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2cccc4cnccc42)CC3)n1 ZINC001140143691 1026918171 /nfs/dbraw/zinc/91/81/71/1026918171.db2.gz LHHDTNQECYOMKX-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2cccc4cnccc42)CC3)n1 ZINC001140143691 1026918174 /nfs/dbraw/zinc/91/81/74/1026918174.db2.gz LHHDTNQECYOMKX-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP COc1ncc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1Br ZINC001140167874 1026941271 /nfs/dbraw/zinc/94/12/71/1026941271.db2.gz LRGSDUKDYPQHCC-UHFFFAOYSA-N 2 2 382.346 3.692 20 0 GHADLP COc1ncc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1Br ZINC001140167874 1026941277 /nfs/dbraw/zinc/94/12/77/1026941277.db2.gz LRGSDUKDYPQHCC-UHFFFAOYSA-N 2 2 382.346 3.692 20 0 GHADLP Clc1ccc2c(c1)[nH+]ccc2N1CCN(c2nc(NC3CC3)cc[nH+]2)CC1 ZINC001166569066 1027029304 /nfs/dbraw/zinc/02/93/04/1027029304.db2.gz JOGGSXBWQMYBJJ-UHFFFAOYSA-N 2 2 380.883 3.579 20 0 GHADLP c1ccc(Nc2ccc(OCC[NH+]3CCCC3)cc2)c(C[NH+]2CCOCC2)c1 ZINC001209929857 1027281380 /nfs/dbraw/zinc/28/13/80/1027281380.db2.gz YBNMMKXMGWSRLF-UHFFFAOYSA-N 2 2 381.520 3.737 20 0 GHADLP CC(=O)OCc1ccc(C[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)o1 ZINC001141787639 1027281451 /nfs/dbraw/zinc/28/14/51/1027281451.db2.gz UQDSKCKMZCKBHE-UHFFFAOYSA-N 2 2 391.427 3.850 20 0 GHADLP CCOC(=O)C1CC[NH+](Cc2cccc(Nc3cc(C)[nH+]c(OC)c3)c2)CC1 ZINC001210780212 1027649266 /nfs/dbraw/zinc/64/92/66/1027649266.db2.gz FIOIASBDOJMLJI-UHFFFAOYSA-N 2 2 383.492 3.917 20 0 GHADLP Cc1ccsc1C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001204024590 1027813748 /nfs/dbraw/zinc/81/37/48/1027813748.db2.gz LQYLJFDPQIMEJV-MRXNPFEDSA-N 2 2 379.570 3.620 20 0 GHADLP Cc1ccsc1C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001204024590 1027813769 /nfs/dbraw/zinc/81/37/69/1027813769.db2.gz LQYLJFDPQIMEJV-MRXNPFEDSA-N 2 2 379.570 3.620 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1sccc1Oc1ccccc1)CC2 ZINC001141997235 1027844079 /nfs/dbraw/zinc/84/40/79/1027844079.db2.gz ZXAIIZYCFLXNCY-UHFFFAOYSA-N 2 2 399.560 3.717 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1sccc1Oc1ccccc1)CC2 ZINC001141997235 1027844100 /nfs/dbraw/zinc/84/41/00/1027844100.db2.gz ZXAIIZYCFLXNCY-UHFFFAOYSA-N 2 2 399.560 3.717 20 0 GHADLP CC1(C)C[C@H]([NH2+]CCNC(=O)OCc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001204096934 1027871151 /nfs/dbraw/zinc/87/11/51/1027871151.db2.gz JUDSXAHBZDBFJH-NRFANRHFSA-N 2 2 381.520 3.556 20 0 GHADLP CC1(C)C[C@H]([NH2+]CCNC(=O)OCc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001204096934 1027871169 /nfs/dbraw/zinc/87/11/69/1027871169.db2.gz JUDSXAHBZDBFJH-NRFANRHFSA-N 2 2 381.520 3.556 20 0 GHADLP CSc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)s1 ZINC001142020906 1027901981 /nfs/dbraw/zinc/90/19/81/1027901981.db2.gz USIBBMQLHGYMDK-UHFFFAOYSA-N 2 2 378.563 3.930 20 0 GHADLP CSc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)s1 ZINC001142020906 1027901985 /nfs/dbraw/zinc/90/19/85/1027901985.db2.gz USIBBMQLHGYMDK-UHFFFAOYSA-N 2 2 378.563 3.930 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001142192513 1028331895 /nfs/dbraw/zinc/33/18/95/1028331895.db2.gz KSPJQTRAOYEEEM-OYRHEFFESA-N 2 2 393.531 3.601 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001142192513 1028331915 /nfs/dbraw/zinc/33/19/15/1028331915.db2.gz KSPJQTRAOYEEEM-OYRHEFFESA-N 2 2 393.531 3.601 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001142192513 1028331936 /nfs/dbraw/zinc/33/19/36/1028331936.db2.gz KSPJQTRAOYEEEM-OYRHEFFESA-N 2 2 393.531 3.601 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001142192513 1028331957 /nfs/dbraw/zinc/33/19/57/1028331957.db2.gz KSPJQTRAOYEEEM-OYRHEFFESA-N 2 2 393.531 3.601 20 0 GHADLP CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001461417871 1069541116 /nfs/dbraw/zinc/54/11/16/1069541116.db2.gz UTIHEEYNJGBCRO-LJQANCHMSA-N 2 2 379.932 3.748 20 0 GHADLP Cc1cccc2nc(CC[NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)cn21 ZINC000842783004 1029587259 /nfs/dbraw/zinc/58/72/59/1029587259.db2.gz JIGRYWLCUAMZIB-UHFFFAOYSA-N 2 2 377.536 3.510 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccc3nccn3c1)CC2 ZINC001143021030 1029787401 /nfs/dbraw/zinc/78/74/01/1029787401.db2.gz LEWGMUYSBPGSQU-UHFFFAOYSA-N 2 2 379.508 3.570 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccc3nccn3c1)CC2 ZINC001143021030 1029787412 /nfs/dbraw/zinc/78/74/12/1029787412.db2.gz LEWGMUYSBPGSQU-UHFFFAOYSA-N 2 2 379.508 3.570 20 0 GHADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)Cc2ccc3[nH+]ccn3c2)cc1 ZINC001143033777 1029796482 /nfs/dbraw/zinc/79/64/82/1029796482.db2.gz HRQOTKLDEHAVGM-OAQYLSRUSA-N 2 2 378.520 3.829 20 0 GHADLP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)Cc2ccc3[nH+]ccn3c2)cc1 ZINC001143033777 1029796489 /nfs/dbraw/zinc/79/64/89/1029796489.db2.gz HRQOTKLDEHAVGM-OAQYLSRUSA-N 2 2 378.520 3.829 20 0 GHADLP C[C@@H](NC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001221968389 1029910878 /nfs/dbraw/zinc/91/08/78/1029910878.db2.gz XAOQCYJIOKQCFE-RTBURBONSA-N 2 2 391.519 3.753 20 0 GHADLP C[C@@H](NC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001221968389 1029910881 /nfs/dbraw/zinc/91/08/81/1029910881.db2.gz XAOQCYJIOKQCFE-RTBURBONSA-N 2 2 391.519 3.753 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]12 ZINC000186045105 1029959464 /nfs/dbraw/zinc/95/94/64/1029959464.db2.gz UNVLEPCJSIJPAN-YZGWKJHDSA-N 2 2 382.508 3.607 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]12 ZINC000186045105 1029959469 /nfs/dbraw/zinc/95/94/69/1029959469.db2.gz UNVLEPCJSIJPAN-YZGWKJHDSA-N 2 2 382.508 3.607 20 0 GHADLP Clc1ncc(Br)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000843396507 1029967629 /nfs/dbraw/zinc/96/76/29/1029967629.db2.gz MYLBYWXHANLIEG-WBMJQRKESA-N 2 2 384.749 3.946 20 0 GHADLP Clc1ncc(Br)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000843396507 1029967632 /nfs/dbraw/zinc/96/76/32/1029967632.db2.gz MYLBYWXHANLIEG-WBMJQRKESA-N 2 2 384.749 3.946 20 0 GHADLP Clc1ncc(Br)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000843396507 1029967635 /nfs/dbraw/zinc/96/76/35/1029967635.db2.gz MYLBYWXHANLIEG-WBMJQRKESA-N 2 2 384.749 3.946 20 0 GHADLP Clc1ncc(Br)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000843396507 1029967638 /nfs/dbraw/zinc/96/76/38/1029967638.db2.gz MYLBYWXHANLIEG-WBMJQRKESA-N 2 2 384.749 3.946 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398913 1029969500 /nfs/dbraw/zinc/96/95/00/1029969500.db2.gz AXRVZQJTZGILPF-RLLQIKCJSA-N 2 2 398.551 3.939 20 0 GHADLP Fc1ccc(Br)c(Br)c1C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001222207701 1030005089 /nfs/dbraw/zinc/00/50/89/1030005089.db2.gz DNTFHSPHVCWBTQ-UHFFFAOYSA-N 2 2 392.110 3.536 20 0 GHADLP c1ccc(COc2cc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)cc3c2OCO3)cc1 ZINC001222277708 1030045004 /nfs/dbraw/zinc/04/50/04/1030045004.db2.gz QTCLCDILSDRQAX-XMMPIXPASA-N 2 2 394.515 3.960 20 0 GHADLP c1ccc(COc2cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)cc3c2OCO3)cc1 ZINC001222277708 1030045014 /nfs/dbraw/zinc/04/50/14/1030045014.db2.gz QTCLCDILSDRQAX-XMMPIXPASA-N 2 2 394.515 3.960 20 0 GHADLP COc1cc(OC)c(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)cc1Br ZINC001222315887 1030065492 /nfs/dbraw/zinc/06/54/92/1030065492.db2.gz QFOQVSYXXWGDPH-SFHVURJKSA-N 2 2 383.330 3.574 20 0 GHADLP COc1cc(OC)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1Br ZINC001222315887 1030065504 /nfs/dbraw/zinc/06/55/04/1030065504.db2.gz QFOQVSYXXWGDPH-SFHVURJKSA-N 2 2 383.330 3.574 20 0 GHADLP COc1ccc(Br)c(OC)c1C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222320729 1030070129 /nfs/dbraw/zinc/07/01/29/1030070129.db2.gz LWQBGGSYWUHZNV-SFHVURJKSA-N 2 2 383.330 3.574 20 0 GHADLP COc1ccc(Br)c(OC)c1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222320729 1030070139 /nfs/dbraw/zinc/07/01/39/1030070139.db2.gz LWQBGGSYWUHZNV-SFHVURJKSA-N 2 2 383.330 3.574 20 0 GHADLP COc1ccc(F)c(-c2noc(-c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)n2)c1 ZINC001217116143 1030178079 /nfs/dbraw/zinc/17/80/79/1030178079.db2.gz ILDXCIVBUZMRDV-UHFFFAOYSA-N 2 2 398.482 3.935 20 0 GHADLP COc1ccc(F)c(-c2noc(-c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)n2)c1 ZINC001217116143 1030178088 /nfs/dbraw/zinc/17/80/88/1030178088.db2.gz ILDXCIVBUZMRDV-UHFFFAOYSA-N 2 2 398.482 3.935 20 0 GHADLP Oc1ccc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c(F)c1 ZINC001222583027 1030212492 /nfs/dbraw/zinc/21/24/92/1030212492.db2.gz KEHUBPMZASTMBL-HXUWFJFHSA-N 2 2 384.495 3.835 20 0 GHADLP Oc1ccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c(F)c1 ZINC001222583027 1030212501 /nfs/dbraw/zinc/21/25/01/1030212501.db2.gz KEHUBPMZASTMBL-HXUWFJFHSA-N 2 2 384.495 3.835 20 0 GHADLP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222601898 1030226888 /nfs/dbraw/zinc/22/68/88/1030226888.db2.gz CJTCJOWSBPAWAQ-SFHVURJKSA-N 2 2 392.421 3.783 20 0 GHADLP COc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222601898 1030226903 /nfs/dbraw/zinc/22/69/03/1030226903.db2.gz CJTCJOWSBPAWAQ-SFHVURJKSA-N 2 2 392.421 3.783 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC001222609442 1030232027 /nfs/dbraw/zinc/23/20/27/1030232027.db2.gz NTRGHAIOULNMKD-LJQANCHMSA-N 2 2 376.422 3.903 20 0 GHADLP COc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC001222609442 1030232046 /nfs/dbraw/zinc/23/20/46/1030232046.db2.gz NTRGHAIOULNMKD-LJQANCHMSA-N 2 2 376.422 3.903 20 0 GHADLP c1ccc2c(c1)CCC(C[NH2+]Cc1ccc(OCC[NH+]3CCOCC3)cc1)CC2 ZINC001461653383 1069660501 /nfs/dbraw/zinc/66/05/01/1069660501.db2.gz POYYRMLYVDIWPU-UHFFFAOYSA-N 2 2 394.559 3.682 20 0 GHADLP CC(C)c1nc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000236896176 1030469807 /nfs/dbraw/zinc/46/98/07/1030469807.db2.gz KCKXNSGVJRYKAU-UHFFFAOYSA-N 2 2 386.609 3.954 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C(C)(C)c3ccc4ccccc4c3)c2)CC1 ZINC001151291359 1030847092 /nfs/dbraw/zinc/84/70/92/1030847092.db2.gz VLHCHLRYHSWJGG-UHFFFAOYSA-N 2 2 388.515 3.903 20 0 GHADLP [NH3+]C1CC[NH+](Cc2ccccc2O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001218410928 1030927682 /nfs/dbraw/zinc/92/76/82/1030927682.db2.gz QJAYMZJYILZXII-JOCHJYFZSA-N 3 2 399.966 3.916 20 0 GHADLP [NH3+]C1CC[NH+](Cc2ccccc2O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001218410928 1030927686 /nfs/dbraw/zinc/92/76/86/1030927686.db2.gz QJAYMZJYILZXII-JOCHJYFZSA-N 3 2 399.966 3.916 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2cc(F)cc(OCc3ccccc3)c2)cc1 ZINC001219078559 1031246630 /nfs/dbraw/zinc/24/66/30/1031246630.db2.gz LUKKHFTVQOGWKP-OAQYLSRUSA-N 2 2 379.435 3.616 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccco1 ZINC001225323628 1031349542 /nfs/dbraw/zinc/34/95/42/1031349542.db2.gz ZURCVTDSYDLUAU-VQTJNVASSA-N 2 2 395.507 3.600 20 0 GHADLP C[C@H]1[C@@H](NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001220195351 1031831780 /nfs/dbraw/zinc/83/17/80/1031831780.db2.gz YOSUGXIRHLCXTR-RXVVDRJESA-N 2 2 393.535 3.856 20 0 GHADLP C[C@H]1[C@@H](NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001220195351 1031831793 /nfs/dbraw/zinc/83/17/93/1031831793.db2.gz YOSUGXIRHLCXTR-RXVVDRJESA-N 2 2 393.535 3.856 20 0 GHADLP CC[NH+](CC)CCCC1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC001154110920 1031933158 /nfs/dbraw/zinc/93/31/58/1031933158.db2.gz BOQLWLFBPQAGEM-UHFFFAOYSA-N 2 2 384.524 3.552 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC001205650005 1033512266 /nfs/dbraw/zinc/51/22/66/1033512266.db2.gz ANWVQEPCHHTDBA-WIYYLYMNSA-N 2 2 399.579 3.942 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001205650005 1033512274 /nfs/dbraw/zinc/51/22/74/1033512274.db2.gz ANWVQEPCHHTDBA-WIYYLYMNSA-N 2 2 399.579 3.942 20 0 GHADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1Br ZINC001205914568 1033634789 /nfs/dbraw/zinc/63/47/89/1033634789.db2.gz NBJIKCNPGAHLOZ-MNOVXSKESA-N 2 2 381.236 3.907 20 0 GHADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1Br ZINC001205914568 1033634795 /nfs/dbraw/zinc/63/47/95/1033634795.db2.gz NBJIKCNPGAHLOZ-MNOVXSKESA-N 2 2 381.236 3.907 20 0 GHADLP Clc1ccccc1N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206735134 1033963978 /nfs/dbraw/zinc/96/39/78/1033963978.db2.gz NZOVCNALRASVKY-SFTDATJTSA-N 2 2 397.950 3.635 20 0 GHADLP Clc1ccccc1N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206735134 1033963979 /nfs/dbraw/zinc/96/39/79/1033963979.db2.gz NZOVCNALRASVKY-SFTDATJTSA-N 2 2 397.950 3.635 20 0 GHADLP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001159209053 1034484330 /nfs/dbraw/zinc/48/43/30/1034484330.db2.gz VIYJHLCOBZANRT-REWPJTCUSA-N 2 2 396.579 3.780 20 0 GHADLP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001159209053 1034484338 /nfs/dbraw/zinc/48/43/38/1034484338.db2.gz VIYJHLCOBZANRT-REWPJTCUSA-N 2 2 396.579 3.780 20 0 GHADLP CC(C)Oc1c(F)cc(F)c(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)c1F ZINC001159261230 1034509724 /nfs/dbraw/zinc/50/97/24/1034509724.db2.gz BSNWTTFSDYGJFS-UHFFFAOYSA-N 2 2 380.414 3.957 20 0 GHADLP [NH3+]C1CCN(c2[nH+]cccc2NC2=CC[C@H](OC(=O)c3ccccc3)CC2)CC1 ZINC001159262390 1034510242 /nfs/dbraw/zinc/51/02/42/1034510242.db2.gz WJZVNFZBELWQLJ-FQEVSTJZSA-N 2 2 392.503 3.714 20 0 GHADLP CC(C)([NH3+])c1ccc(Nc2cc(I)c3[nH+]ccn3c2)cc1 ZINC001159267514 1034513435 /nfs/dbraw/zinc/51/34/35/1034513435.db2.gz AXUCYBFBKVUKCS-UHFFFAOYSA-N 2 2 392.244 3.876 20 0 GHADLP COC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001231426109 1034574452 /nfs/dbraw/zinc/57/44/52/1034574452.db2.gz LQNUVMLZYCVCJE-SCWSEQNSSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001231426109 1034574454 /nfs/dbraw/zinc/57/44/54/1034574454.db2.gz LQNUVMLZYCVCJE-SCWSEQNSSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001231426109 1034574459 /nfs/dbraw/zinc/57/44/59/1034574459.db2.gz LQNUVMLZYCVCJE-SCWSEQNSSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001231426109 1034574464 /nfs/dbraw/zinc/57/44/64/1034574464.db2.gz LQNUVMLZYCVCJE-SCWSEQNSSA-N 2 2 399.560 3.662 20 0 GHADLP c1ccc(Cn2c(CNc3ccc(N4CC[NH2+]CC4)c[nH+]3)nc3ccccc32)cc1 ZINC001159409558 1034587342 /nfs/dbraw/zinc/58/73/42/1034587342.db2.gz SXJCMQZLHADTKA-UHFFFAOYSA-N 2 2 398.514 3.501 20 0 GHADLP C[C@H](C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1)c1ccccc1 ZINC001207913504 1034656655 /nfs/dbraw/zinc/65/66/55/1034656655.db2.gz LYZYEDWDUQTOFZ-QUCCMNQESA-N 2 2 387.568 3.854 20 0 GHADLP C[C@H](C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1)c1ccccc1 ZINC001207913504 1034656669 /nfs/dbraw/zinc/65/66/69/1034656669.db2.gz LYZYEDWDUQTOFZ-QUCCMNQESA-N 2 2 387.568 3.854 20 0 GHADLP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001208208590 1034800901 /nfs/dbraw/zinc/80/09/01/1034800901.db2.gz ZDNZDUHIEGNLOX-CEMLEFRQSA-N 2 2 390.616 3.795 20 0 GHADLP COC(C)(C)CCC[C@@H](C)CC[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001208208590 1034800909 /nfs/dbraw/zinc/80/09/09/1034800909.db2.gz ZDNZDUHIEGNLOX-CEMLEFRQSA-N 2 2 390.616 3.795 20 0 GHADLP COC(C)(C)CCC[C@@H](C)CC[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001208208590 1034800918 /nfs/dbraw/zinc/80/09/18/1034800918.db2.gz ZDNZDUHIEGNLOX-CEMLEFRQSA-N 2 2 390.616 3.795 20 0 GHADLP COC(C)(C)CCC[C@@H](C)CC[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001208208590 1034800924 /nfs/dbraw/zinc/80/09/24/1034800924.db2.gz ZDNZDUHIEGNLOX-CEMLEFRQSA-N 2 2 390.616 3.795 20 0 GHADLP Cc1csc2sc(C[N@@H+]3CCCn4nnc(Cn5cc[nH+]c5)c4C3)c(C)c12 ZINC001231829837 1034934387 /nfs/dbraw/zinc/93/43/87/1034934387.db2.gz VYTLOPUCAQXYCR-UHFFFAOYSA-N 2 2 398.561 3.822 20 0 GHADLP Cc1csc2sc(C[N@H+]3CCCn4nnc(Cn5cc[nH+]c5)c4C3)c(C)c12 ZINC001231829837 1034934389 /nfs/dbraw/zinc/93/43/89/1034934389.db2.gz VYTLOPUCAQXYCR-UHFFFAOYSA-N 2 2 398.561 3.822 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)C[C@H]2COC3(CCCCC3)O2)CC1 ZINC001208645299 1034966128 /nfs/dbraw/zinc/96/61/28/1034966128.db2.gz ZENACRCDOJZVNH-NRFANRHFSA-N 2 2 376.516 3.798 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)C[C@H]2COC3(CCCCC3)O2)CC1 ZINC001208645299 1034966130 /nfs/dbraw/zinc/96/61/30/1034966130.db2.gz ZENACRCDOJZVNH-NRFANRHFSA-N 2 2 376.516 3.798 20 0 GHADLP c1c(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)[nH]c2cccnc12 ZINC001232063810 1035073573 /nfs/dbraw/zinc/07/35/73/1035073573.db2.gz XWAFQSFOXDHQNO-YKSBVNFPSA-N 2 2 394.563 3.523 20 0 GHADLP c1c(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)[nH]c2cccnc12 ZINC001232063810 1035073582 /nfs/dbraw/zinc/07/35/82/1035073582.db2.gz XWAFQSFOXDHQNO-YKSBVNFPSA-N 2 2 394.563 3.523 20 0 GHADLP c1c(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)[nH]c2cccnc12 ZINC001232063810 1035073592 /nfs/dbraw/zinc/07/35/92/1035073592.db2.gz XWAFQSFOXDHQNO-YKSBVNFPSA-N 2 2 394.563 3.523 20 0 GHADLP c1c(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)[nH]c2cccnc12 ZINC001232063810 1035073601 /nfs/dbraw/zinc/07/36/01/1035073601.db2.gz XWAFQSFOXDHQNO-YKSBVNFPSA-N 2 2 394.563 3.523 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208930782 1035095947 /nfs/dbraw/zinc/09/59/47/1035095947.db2.gz DSEONVYKNFHZGY-OAQYLSRUSA-N 2 2 399.579 3.841 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208930782 1035095955 /nfs/dbraw/zinc/09/59/55/1035095955.db2.gz DSEONVYKNFHZGY-OAQYLSRUSA-N 2 2 399.579 3.841 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208936191 1035103758 /nfs/dbraw/zinc/10/37/58/1035103758.db2.gz NRUZQVNYAAOMJU-DQEYMECFSA-N 3 2 399.623 3.721 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208936191 1035103760 /nfs/dbraw/zinc/10/37/60/1035103760.db2.gz NRUZQVNYAAOMJU-DQEYMECFSA-N 3 2 399.623 3.721 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208936191 1035103762 /nfs/dbraw/zinc/10/37/62/1035103762.db2.gz NRUZQVNYAAOMJU-DQEYMECFSA-N 3 2 399.623 3.721 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208936191 1035103767 /nfs/dbraw/zinc/10/37/67/1035103767.db2.gz NRUZQVNYAAOMJU-DQEYMECFSA-N 3 2 399.623 3.721 20 0 GHADLP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC001208945347 1035115369 /nfs/dbraw/zinc/11/53/69/1035115369.db2.gz NAZJMSKGTPRQSC-JRFVFWCSSA-N 2 2 379.548 3.759 20 0 GHADLP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC001208945347 1035115377 /nfs/dbraw/zinc/11/53/77/1035115377.db2.gz NAZJMSKGTPRQSC-JRFVFWCSSA-N 2 2 379.548 3.759 20 0 GHADLP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[NH+]3C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001208945347 1035115383 /nfs/dbraw/zinc/11/53/83/1035115383.db2.gz NAZJMSKGTPRQSC-JRFVFWCSSA-N 2 2 379.548 3.759 20 0 GHADLP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[NH+]3C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001208945347 1035115388 /nfs/dbraw/zinc/11/53/88/1035115388.db2.gz NAZJMSKGTPRQSC-JRFVFWCSSA-N 2 2 379.548 3.759 20 0 GHADLP CC(C)(C)OC(=O)N1CC([N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C2CC2)C1 ZINC001208955028 1035127544 /nfs/dbraw/zinc/12/75/44/1035127544.db2.gz XRUCBVUBRSHJPW-LJQANCHMSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1CC([N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C2CC2)C1 ZINC001208955028 1035127548 /nfs/dbraw/zinc/12/75/48/1035127548.db2.gz XRUCBVUBRSHJPW-LJQANCHMSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1CC([NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)C1 ZINC001208955028 1035127554 /nfs/dbraw/zinc/12/75/54/1035127554.db2.gz XRUCBVUBRSHJPW-LJQANCHMSA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1CC([NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)C1 ZINC001208955028 1035127557 /nfs/dbraw/zinc/12/75/57/1035127557.db2.gz XRUCBVUBRSHJPW-LJQANCHMSA-N 2 2 385.552 3.592 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208957556 1035129857 /nfs/dbraw/zinc/12/98/57/1035129857.db2.gz LPMOATACMKUAAC-SBHAEUEKSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208957556 1035129860 /nfs/dbraw/zinc/12/98/60/1035129860.db2.gz LPMOATACMKUAAC-SBHAEUEKSA-N 2 2 387.568 3.838 20 0 GHADLP Clc1ccc(CC[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c(Cl)c1 ZINC001209081070 1035165489 /nfs/dbraw/zinc/16/54/89/1035165489.db2.gz JPKGQSBYRATIJY-IAGOWNOFSA-N 2 2 376.331 3.995 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccnc(C(C)(C)C)c2)CC3)cn1 ZINC001232217702 1035167429 /nfs/dbraw/zinc/16/74/29/1035167429.db2.gz WMJIDDSOHPJKIW-UHFFFAOYSA-N 2 2 381.568 3.743 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccnc(C(C)(C)C)c2)CC3)cn1 ZINC001232217702 1035167433 /nfs/dbraw/zinc/16/74/33/1035167433.db2.gz WMJIDDSOHPJKIW-UHFFFAOYSA-N 2 2 381.568 3.743 20 0 GHADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](CCc1cccc(C(F)(F)F)c1)C2 ZINC001209121199 1035182411 /nfs/dbraw/zinc/18/24/11/1035182411.db2.gz PWJSWBQHQPQDFV-UHFFFAOYSA-N 2 2 395.473 3.586 20 0 GHADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](CCc1cccc(C(F)(F)F)c1)C2 ZINC001209121199 1035182414 /nfs/dbraw/zinc/18/24/14/1035182414.db2.gz PWJSWBQHQPQDFV-UHFFFAOYSA-N 2 2 395.473 3.586 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](CCc1cccc(C(F)(F)F)c1)C2 ZINC001209121199 1035182418 /nfs/dbraw/zinc/18/24/18/1035182418.db2.gz PWJSWBQHQPQDFV-UHFFFAOYSA-N 2 2 395.473 3.586 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](CCc1cccc(C(F)(F)F)c1)C2 ZINC001209121199 1035182422 /nfs/dbraw/zinc/18/24/22/1035182422.db2.gz PWJSWBQHQPQDFV-UHFFFAOYSA-N 2 2 395.473 3.586 20 0 GHADLP c1ccc(COCCCC[N@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001209251807 1035222203 /nfs/dbraw/zinc/22/22/03/1035222203.db2.gz AFEBFWLRGVXOLG-DNQXCXABSA-N 2 2 379.548 3.832 20 0 GHADLP c1ccc(COCCCC[N@@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001209251807 1035222208 /nfs/dbraw/zinc/22/22/08/1035222208.db2.gz AFEBFWLRGVXOLG-DNQXCXABSA-N 2 2 379.548 3.832 20 0 GHADLP c1ccc(COCCCC[NH+]2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001209251807 1035222214 /nfs/dbraw/zinc/22/22/14/1035222214.db2.gz AFEBFWLRGVXOLG-DNQXCXABSA-N 2 2 379.548 3.832 20 0 GHADLP c1ccc(COCCCC[NH+]2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001209251807 1035222218 /nfs/dbraw/zinc/22/22/18/1035222218.db2.gz AFEBFWLRGVXOLG-DNQXCXABSA-N 2 2 379.548 3.832 20 0 GHADLP COc1ccc(Cn2c[nH+]cc2CNc2ncccc2C[NH+]2CCCC2)cc1 ZINC001161512490 1035245748 /nfs/dbraw/zinc/24/57/48/1035245748.db2.gz PERIUKFSDKDTCK-UHFFFAOYSA-N 2 2 377.492 3.543 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cnc(Cl)s1)CC2 ZINC001209468864 1035283094 /nfs/dbraw/zinc/28/30/94/1035283094.db2.gz LJORTIZDJNNDPO-AWEZNQCLSA-N 2 2 381.929 3.645 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cnc(Cl)s1)CC2 ZINC001209468864 1035283096 /nfs/dbraw/zinc/28/30/96/1035283096.db2.gz LJORTIZDJNNDPO-AWEZNQCLSA-N 2 2 381.929 3.645 20 0 GHADLP Cc1cccc2c(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)c[nH]c21 ZINC001209486270 1035289209 /nfs/dbraw/zinc/28/92/09/1035289209.db2.gz QLGKVXDSMFHAJF-UHFFFAOYSA-N 2 2 377.536 3.717 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)c1C ZINC001209605843 1035327523 /nfs/dbraw/zinc/32/75/23/1035327523.db2.gz VQFKXNHGIWHZIL-NHCUHLMSSA-N 2 2 395.547 3.680 20 0 GHADLP COc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(F)cc1Cl ZINC001209660489 1035345692 /nfs/dbraw/zinc/34/56/92/1035345692.db2.gz BQJOTABPDINWAB-AEFFLSMTSA-N 2 2 389.902 3.837 20 0 GHADLP COc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(F)cc1Cl ZINC001209660489 1035345699 /nfs/dbraw/zinc/34/56/99/1035345699.db2.gz BQJOTABPDINWAB-AEFFLSMTSA-N 2 2 389.902 3.837 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c(F)cc1Cl ZINC001209660489 1035345701 /nfs/dbraw/zinc/34/57/01/1035345701.db2.gz BQJOTABPDINWAB-AEFFLSMTSA-N 2 2 389.902 3.837 20 0 GHADLP COc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c(F)cc1Cl ZINC001209660489 1035345707 /nfs/dbraw/zinc/34/57/07/1035345707.db2.gz BQJOTABPDINWAB-AEFFLSMTSA-N 2 2 389.902 3.837 20 0 GHADLP C[N@@H+]1Cc2ccccc2C[C@H]1c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001248121168 1035544990 /nfs/dbraw/zinc/54/49/90/1035544990.db2.gz ZBJVLBOTZQOUEF-HKFHZZIHSA-N 2 2 387.487 3.927 20 0 GHADLP C[N@H+]1Cc2ccccc2C[C@H]1c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001248121168 1035544997 /nfs/dbraw/zinc/54/49/97/1035544997.db2.gz ZBJVLBOTZQOUEF-HKFHZZIHSA-N 2 2 387.487 3.927 20 0 GHADLP C[NH+]1CCN(Cc2cccc(-c3noc([C@@H]([NH3+])CCC4CCCCC4)n3)c2)CC1 ZINC001248243596 1035688784 /nfs/dbraw/zinc/68/87/84/1035688784.db2.gz QPZVQPWHRNOQDO-NRFANRHFSA-N 2 2 397.567 3.844 20 0 GHADLP [NH3+][C@@]1(c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)CCCc2ccccc21 ZINC001248246814 1035692935 /nfs/dbraw/zinc/69/29/35/1035692935.db2.gz BBMNJDPPKXAXQP-LJJIPZOBSA-N 2 2 387.487 3.737 20 0 GHADLP Clc1ccnc2cccc(-c3noc([C@@H]4CCC[N@@H+]4C4CC[NH2+]CC4)n3)c12 ZINC001248251981 1035702382 /nfs/dbraw/zinc/70/23/82/1035702382.db2.gz HILKCGZIBFSIEM-KRWDZBQOSA-N 2 2 383.883 3.827 20 0 GHADLP Clc1ccnc2cccc(-c3noc([C@@H]4CCC[N@H+]4C4CC[NH2+]CC4)n3)c12 ZINC001248251981 1035702402 /nfs/dbraw/zinc/70/24/02/1035702402.db2.gz HILKCGZIBFSIEM-KRWDZBQOSA-N 2 2 383.883 3.827 20 0 GHADLP Fc1ccc(Cl)c(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c1F ZINC001278352740 1035959812 /nfs/dbraw/zinc/95/98/12/1035959812.db2.gz HMFIFNRJQTYQAB-UHFFFAOYSA-N 2 2 380.870 3.829 20 0 GHADLP Fc1ccc(Cl)c(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1F ZINC001278352740 1035959819 /nfs/dbraw/zinc/95/98/19/1035959819.db2.gz HMFIFNRJQTYQAB-UHFFFAOYSA-N 2 2 380.870 3.829 20 0 GHADLP Cc1cccc(Br)c1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001248608213 1035987164 /nfs/dbraw/zinc/98/71/64/1035987164.db2.gz IEHSWICCCXYBIU-CALCHBBNSA-N 2 2 386.337 3.716 20 0 GHADLP Cc1cccc(Br)c1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001248608213 1035987165 /nfs/dbraw/zinc/98/71/65/1035987165.db2.gz IEHSWICCCXYBIU-CALCHBBNSA-N 2 2 386.337 3.716 20 0 GHADLP Cc1cccc(Br)c1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001248608213 1035987167 /nfs/dbraw/zinc/98/71/67/1035987167.db2.gz IEHSWICCCXYBIU-CALCHBBNSA-N 2 2 386.337 3.716 20 0 GHADLP Cc1cccc(Br)c1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001248608213 1035987172 /nfs/dbraw/zinc/98/71/72/1035987172.db2.gz IEHSWICCCXYBIU-CALCHBBNSA-N 2 2 386.337 3.716 20 0 GHADLP O[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245978773 1037103729 /nfs/dbraw/zinc/10/37/29/1037103729.db2.gz FNFCBZOKVLAYQT-LPHOPBHVSA-N 2 2 377.315 3.940 20 0 GHADLP C[C@H]1[NH2+]CC[C@H]1[NH2+]C[C@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245982002 1037105945 /nfs/dbraw/zinc/10/59/45/1037105945.db2.gz IZARJJROJSJYSE-ZBJVWZGCSA-N 2 2 377.315 3.938 20 0 GHADLP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CC4(CC[NH2+]CC4)Oc4ccccc43)CC[NH2+]2)cc1 ZINC001246132242 1037208149 /nfs/dbraw/zinc/20/81/49/1037208149.db2.gz OTRRJIBKRPSNGG-BAGYTPMASA-N 3 2 377.532 3.715 20 0 GHADLP Brc1ccc2c(c1)OC[C@@H]2[NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246375111 1037331572 /nfs/dbraw/zinc/33/15/72/1037331572.db2.gz OMRBFBMIJGBLST-SCTDSRPQSA-N 2 2 387.321 3.836 20 0 GHADLP C[NH2+]CC[C@H](C)[NH2+][C@@]1(O)C=Cc2ccccc2[C@@H]1c1c(O)ccc2ccccc21 ZINC001246489714 1037435785 /nfs/dbraw/zinc/43/57/85/1037435785.db2.gz AQODYVFRPBUCKQ-XNWMQKSCSA-N 2 2 388.511 3.980 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246505371 1037446687 /nfs/dbraw/zinc/44/66/87/1037446687.db2.gz VHFBUJPYBWESEA-GATIMQMVSA-N 3 2 377.576 3.850 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246505371 1037446699 /nfs/dbraw/zinc/44/66/99/1037446699.db2.gz VHFBUJPYBWESEA-GATIMQMVSA-N 3 2 377.576 3.850 20 0 GHADLP COc1cccc([C@@H](C[NH3+])[NH2+]C2CCC(c3ccc(OC(C)=O)cc3)CC2)c1 ZINC001246507473 1037448499 /nfs/dbraw/zinc/44/84/99/1037448499.db2.gz BXSMOURBOQSTHO-VBVCHWQCSA-N 2 2 382.504 3.936 20 0 GHADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H]2CCc3cccc(Br)c3C2)c1 ZINC001246513152 1037452365 /nfs/dbraw/zinc/45/23/65/1037452365.db2.gz WAXJQJDODPILAG-BEFAXECRSA-N 2 2 375.310 3.605 20 0 GHADLP C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246724014 1037575703 /nfs/dbraw/zinc/57/57/03/1037575703.db2.gz WBAWNUVHQZTDOY-XQFWAAQXSA-N 2 2 386.584 3.889 20 0 GHADLP C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246724014 1037575710 /nfs/dbraw/zinc/57/57/10/1037575710.db2.gz WBAWNUVHQZTDOY-XQFWAAQXSA-N 2 2 386.584 3.889 20 0 GHADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCO[C@@]3(CCCN(c4cccc(C)c4)C3)C2)CC[NH2+]1 ZINC001246723948 1037575734 /nfs/dbraw/zinc/57/57/34/1037575734.db2.gz ZHGBQPHIUZLJQJ-YFNKSVMNSA-N 2 2 385.596 3.977 20 0 GHADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCO[C@@]3(CCCN(c4cccc(C)c4)C3)C2)CC[NH2+]1 ZINC001246723948 1037575741 /nfs/dbraw/zinc/57/57/41/1037575741.db2.gz ZHGBQPHIUZLJQJ-YFNKSVMNSA-N 2 2 385.596 3.977 20 0 GHADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)CC[NH2+]1 ZINC001246770390 1037612829 /nfs/dbraw/zinc/61/28/29/1037612829.db2.gz JUDCUEUENYMIKX-QTEQDKRBSA-N 2 2 398.551 3.547 20 0 GHADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)CC[NH2+]1 ZINC001246770390 1037612841 /nfs/dbraw/zinc/61/28/41/1037612841.db2.gz JUDCUEUENYMIKX-QTEQDKRBSA-N 2 2 398.551 3.547 20 0 GHADLP c1ccc([C@@H]2C[C@H]([NH+]3CCC(Oc4cnc5ccccc5n4)CC3)CC[NH2+]2)cc1 ZINC001246876830 1037691091 /nfs/dbraw/zinc/69/10/91/1037691091.db2.gz MYKZLTHGMIEWAF-XXBNENTESA-N 2 2 388.515 3.966 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246935180 1037736226 /nfs/dbraw/zinc/73/62/26/1037736226.db2.gz JYFPZCBIOBIQNY-VGOFRKELSA-N 2 2 384.495 3.798 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246935180 1037736244 /nfs/dbraw/zinc/73/62/44/1037736244.db2.gz JYFPZCBIOBIQNY-VGOFRKELSA-N 2 2 384.495 3.798 20 0 GHADLP O=C(N[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1)c1cccc(F)c1 ZINC001246954782 1037762973 /nfs/dbraw/zinc/76/29/73/1037762973.db2.gz MSWBJEGTWBMPCJ-FSSWDIPSSA-N 2 2 381.495 3.513 20 0 GHADLP O=C(N[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1)c1cccc(F)c1 ZINC001246954782 1037762994 /nfs/dbraw/zinc/76/29/94/1037762994.db2.gz MSWBJEGTWBMPCJ-FSSWDIPSSA-N 2 2 381.495 3.513 20 0 GHADLP CCOC(=O)N1CCC[C@H]([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001246965714 1037787373 /nfs/dbraw/zinc/78/73/73/1037787373.db2.gz QTSCSETXPFAYGC-INIZCTEOSA-N 2 2 395.494 3.530 20 0 GHADLP CCOC(=O)N1CCC[C@H]([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001246965714 1037787386 /nfs/dbraw/zinc/78/73/86/1037787386.db2.gz QTSCSETXPFAYGC-INIZCTEOSA-N 2 2 395.494 3.530 20 0 GHADLP c1ccc([C@@H]2C[C@@H]([NH+]3CCN(c4ccc(-c5ncccn5)cc4)CC3)CC[NH2+]2)cc1 ZINC001246982304 1037806108 /nfs/dbraw/zinc/80/61/08/1037806108.db2.gz BTRLTFOLQWSYDC-ZEQRLZLVSA-N 2 2 399.542 3.759 20 0 GHADLP Clc1cc(Cl)cc(-c2noc([C@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)c1 ZINC001247125859 1037936303 /nfs/dbraw/zinc/93/63/03/1037936303.db2.gz ITQLNHPRRAYTIU-CQSZACIVSA-N 2 2 390.274 3.659 20 0 GHADLP CSc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001232328721 1038106964 /nfs/dbraw/zinc/10/69/64/1038106964.db2.gz IDAOMJRBPVPVST-SESVDKBCSA-N 2 2 382.577 3.931 20 0 GHADLP CSc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001232328721 1038106976 /nfs/dbraw/zinc/10/69/76/1038106976.db2.gz IDAOMJRBPVPVST-SESVDKBCSA-N 2 2 382.577 3.931 20 0 GHADLP CSc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001232328721 1038106986 /nfs/dbraw/zinc/10/69/86/1038106986.db2.gz IDAOMJRBPVPVST-SESVDKBCSA-N 2 2 382.577 3.931 20 0 GHADLP CSc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001232328721 1038106995 /nfs/dbraw/zinc/10/69/95/1038106995.db2.gz IDAOMJRBPVPVST-SESVDKBCSA-N 2 2 382.577 3.931 20 0 GHADLP FCc1cccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)n1 ZINC001232534549 1038302689 /nfs/dbraw/zinc/30/26/89/1038302689.db2.gz RPAHJWNDHWEBNR-OFNKIYASSA-N 2 2 387.543 3.512 20 0 GHADLP FCc1cccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)n1 ZINC001232534549 1038302701 /nfs/dbraw/zinc/30/27/01/1038302701.db2.gz RPAHJWNDHWEBNR-OFNKIYASSA-N 2 2 387.543 3.512 20 0 GHADLP FCc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)n1 ZINC001232534549 1038302713 /nfs/dbraw/zinc/30/27/13/1038302713.db2.gz RPAHJWNDHWEBNR-OFNKIYASSA-N 2 2 387.543 3.512 20 0 GHADLP FCc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)n1 ZINC001232534549 1038302731 /nfs/dbraw/zinc/30/27/31/1038302731.db2.gz RPAHJWNDHWEBNR-OFNKIYASSA-N 2 2 387.543 3.512 20 0 GHADLP c1cn(-c2ccc(-c3noc([C@@H]4C[C@@H](OCc5ccccc5)C[NH2+]4)n3)cc2)c[nH+]1 ZINC001247669750 1038305726 /nfs/dbraw/zinc/30/57/26/1038305726.db2.gz BOULERJEGQLLGZ-UXHICEINSA-N 2 2 387.443 3.542 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1nc3ccccc3o1)CC2 ZINC001232556060 1038323312 /nfs/dbraw/zinc/32/33/12/1038323312.db2.gz FNTPOGANLOIOHB-QGZVFWFLSA-N 2 2 381.476 3.676 20 0 GHADLP Cc1cc(Br)c(F)cc1-c1noc(-c2ccc([C@@H]([NH3+])C[NH3+])cc2)n1 ZINC001247698595 1038336691 /nfs/dbraw/zinc/33/66/91/1038336691.db2.gz PJLIDRAKPKUFHA-HNNXBMFYSA-N 2 2 391.244 3.572 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3ccc(-c4ccc(F)cc4)cn3)no2)cc1 ZINC001247699260 1038338636 /nfs/dbraw/zinc/33/86/36/1038338636.db2.gz WQNBXOMHTUTLGI-SFHVURJKSA-N 2 2 375.407 3.563 20 0 GHADLP CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC001232606023 1038387482 /nfs/dbraw/zinc/38/74/82/1038387482.db2.gz LYXMPGBTTOFFAJ-GOSISDBHSA-N 2 2 384.480 3.867 20 0 GHADLP CC(C)(C)OC(=O)Nc1cccc(C[N@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC001232606023 1038387497 /nfs/dbraw/zinc/38/74/97/1038387497.db2.gz LYXMPGBTTOFFAJ-GOSISDBHSA-N 2 2 384.480 3.867 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc4c3CCCC4)CC2)CC1 ZINC001232635665 1038422152 /nfs/dbraw/zinc/42/21/52/1038422152.db2.gz MXLDRKWTRXHNPV-UHFFFAOYSA-N 2 2 384.564 3.805 20 0 GHADLP FC(F)(F)c1cccc(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c1Cl ZINC001247857781 1038428445 /nfs/dbraw/zinc/42/84/45/1038428445.db2.gz DUUUVOJOYHTXIE-GFCCVEGCSA-N 2 2 386.805 3.956 20 0 GHADLP Clc1cc(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)ccc1Br ZINC001247860875 1038431427 /nfs/dbraw/zinc/43/14/27/1038431427.db2.gz MXNPTGXSMBYDJH-CYBMUJFWSA-N 2 2 397.704 3.699 20 0 GHADLP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC001233362183 1039188154 /nfs/dbraw/zinc/18/81/54/1039188154.db2.gz RGCRUEPTSRBUKB-LJQANCHMSA-N 3 2 396.560 3.651 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC001233362183 1039188161 /nfs/dbraw/zinc/18/81/61/1039188161.db2.gz RGCRUEPTSRBUKB-LJQANCHMSA-N 3 2 396.560 3.651 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cc(F)c(Cl)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC001252917181 1039255184 /nfs/dbraw/zinc/25/51/84/1039255184.db2.gz NXDSJCDMCAZGEU-LJQANCHMSA-N 2 2 383.294 3.859 20 0 GHADLP O[C@@]1(C[NH2+]Cc2cc(F)c(Cl)cc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC001252917181 1039255199 /nfs/dbraw/zinc/25/51/99/1039255199.db2.gz NXDSJCDMCAZGEU-LJQANCHMSA-N 2 2 383.294 3.859 20 0 GHADLP Cc1cc(F)cc(C[NH+]2CCC([NH2+]C[C@@H](O)c3ccc(F)c(F)c3)CC2)c1 ZINC001253377250 1039586887 /nfs/dbraw/zinc/58/68/87/1039586887.db2.gz PWNOCIGDWCGTSU-OAQYLSRUSA-N 2 2 378.438 3.700 20 0 GHADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](C[C@H](O)COc2ccc(C)cc2)CC1 ZINC001253826699 1039832818 /nfs/dbraw/zinc/83/28/18/1039832818.db2.gz ZYVLZDAZGPJDCB-QHCPKHFHSA-N 2 2 382.548 3.721 20 0 GHADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@H](O)COc2ccc(C)cc2)CC1 ZINC001253826699 1039832838 /nfs/dbraw/zinc/83/28/38/1039832838.db2.gz ZYVLZDAZGPJDCB-QHCPKHFHSA-N 2 2 382.548 3.721 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001234147679 1039886047 /nfs/dbraw/zinc/88/60/47/1039886047.db2.gz FOEZMLPSJXHABP-MJGOQNOKSA-N 2 2 387.572 3.544 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC001234147679 1039886067 /nfs/dbraw/zinc/88/60/67/1039886067.db2.gz FOEZMLPSJXHABP-MJGOQNOKSA-N 2 2 387.572 3.544 20 0 GHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC001462427548 1070245282 /nfs/dbraw/zinc/24/52/82/1070245282.db2.gz KMWZCYDCIRTAIY-ZWKOTPCHSA-N 2 2 379.976 3.787 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)C1 ZINC001254209430 1040062617 /nfs/dbraw/zinc/06/26/17/1040062617.db2.gz MNOGQQPADSBREN-KRWDZBQOSA-N 2 2 392.519 3.569 20 0 GHADLP Clc1cc2[nH]cc(C[N@H+]3CCc4[nH+]ccn4CC3)c2c(Br)c1 ZINC001234481014 1040065330 /nfs/dbraw/zinc/06/53/30/1040065330.db2.gz WVBBHWWZDVXXCS-UHFFFAOYSA-N 2 2 379.689 3.839 20 0 GHADLP Clc1cc2[nH]cc(C[N@@H+]3CCc4[nH+]ccn4CC3)c2c(Br)c1 ZINC001234481014 1040065353 /nfs/dbraw/zinc/06/53/53/1040065353.db2.gz WVBBHWWZDVXXCS-UHFFFAOYSA-N 2 2 379.689 3.839 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CC1 ZINC001254314709 1040168413 /nfs/dbraw/zinc/16/84/13/1040168413.db2.gz ZACIOYUDLREYNL-MRXNPFEDSA-N 2 2 392.519 3.569 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+]C3CCc4ccccc4CC3)CC2)cc1 ZINC001254453914 1040241830 /nfs/dbraw/zinc/24/18/30/1040241830.db2.gz CVMPNZVYBSVUBB-UHFFFAOYSA-N 2 2 392.543 3.975 20 0 GHADLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC001254624618 1040398021 /nfs/dbraw/zinc/39/80/21/1040398021.db2.gz TYMYFDLMYOXNID-JOCHJYFZSA-N 2 2 395.551 3.532 20 0 GHADLP CC1CC[NH+](CC[NH2+][C@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001254735970 1040494578 /nfs/dbraw/zinc/49/45/78/1040494578.db2.gz KJDYMKQVBNXCHG-IBGZPJMESA-N 2 2 379.589 3.878 20 0 GHADLP Fc1ccc(COc2ccc(C[N@@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cc2)cc1 ZINC001235009524 1040499369 /nfs/dbraw/zinc/49/93/69/1040499369.db2.gz WJLUUVDSPQLYLY-HSZRJFAPSA-N 2 2 384.495 3.607 20 0 GHADLP Fc1ccc(COc2ccc(C[N@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cc2)cc1 ZINC001235009524 1040499380 /nfs/dbraw/zinc/49/93/80/1040499380.db2.gz WJLUUVDSPQLYLY-HSZRJFAPSA-N 2 2 384.495 3.607 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[C@@H]([NH2+]Cc3ccc4[nH+]ccn4c3)C2)CC1 ZINC001254741589 1040499398 /nfs/dbraw/zinc/49/93/98/1040499398.db2.gz DUOQFCCYGMPLQJ-GOSISDBHSA-N 2 2 384.524 3.994 20 0 GHADLP Cc1ccc(OCc2ccccc2)c(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001235020388 1040511258 /nfs/dbraw/zinc/51/12/58/1040511258.db2.gz CPPYQEAEKCAVPV-DEOSSOPVSA-N 2 2 380.532 3.776 20 0 GHADLP Cc1ccc(OCc2ccccc2)c(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001235020388 1040511275 /nfs/dbraw/zinc/51/12/75/1040511275.db2.gz CPPYQEAEKCAVPV-DEOSSOPVSA-N 2 2 380.532 3.776 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254751870 1040513700 /nfs/dbraw/zinc/51/37/00/1040513700.db2.gz BNWDFCMHVKNPCJ-GOSISDBHSA-N 2 2 376.545 3.775 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254751870 1040513710 /nfs/dbraw/zinc/51/37/10/1040513710.db2.gz BNWDFCMHVKNPCJ-GOSISDBHSA-N 2 2 376.545 3.775 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(N4CCCC4)c3)CC2)CC1 ZINC001235083794 1040569560 /nfs/dbraw/zinc/56/95/60/1040569560.db2.gz JLGSKXIDKUHBAA-UHFFFAOYSA-N 2 2 399.579 3.526 20 0 GHADLP FC(F)(F)c1cccnc1-c1ccc(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC001235113208 1040597881 /nfs/dbraw/zinc/59/78/81/1040597881.db2.gz AGOWUMPDBCZFGE-HXUWFJFHSA-N 2 2 391.437 3.722 20 0 GHADLP FC(F)(F)c1cccnc1-c1ccc(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC001235113208 1040597897 /nfs/dbraw/zinc/59/78/97/1040597897.db2.gz AGOWUMPDBCZFGE-HXUWFJFHSA-N 2 2 391.437 3.722 20 0 GHADLP CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]2C[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)C[C@H]21 ZINC001254854696 1040598036 /nfs/dbraw/zinc/59/80/36/1040598036.db2.gz HERMOVORUMHITH-ILWGZMRPSA-N 2 2 397.563 3.689 20 0 GHADLP CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]2C[N@H+]([C@H]3CC4CC[NH+](CC4)C3)C[C@H]21 ZINC001254854696 1040598047 /nfs/dbraw/zinc/59/80/47/1040598047.db2.gz HERMOVORUMHITH-ILWGZMRPSA-N 2 2 397.563 3.689 20 0 GHADLP Brc1ccc2sc(C[N@@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)cc2c1 ZINC001235114809 1040601517 /nfs/dbraw/zinc/60/15/17/1040601517.db2.gz NZBUAOXJROAFJD-QGZVFWFLSA-N 2 2 381.339 3.618 20 0 GHADLP Brc1ccc2sc(C[N@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)cc2c1 ZINC001235114809 1040601531 /nfs/dbraw/zinc/60/15/31/1040601531.db2.gz NZBUAOXJROAFJD-QGZVFWFLSA-N 2 2 381.339 3.618 20 0 GHADLP c1nc2n(c1-c1ccccc1)CCC21CC[NH+]([C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254860511 1040605813 /nfs/dbraw/zinc/60/58/13/1040605813.db2.gz QIBKVBHUTHMCQF-OAQYLSRUSA-N 2 2 376.548 3.772 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@H]21 ZINC001254879806 1040628692 /nfs/dbraw/zinc/62/86/92/1040628692.db2.gz SNBKANRONLKHMJ-CTDOOQEKSA-N 2 2 377.573 3.582 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@H]21 ZINC001254879806 1040628697 /nfs/dbraw/zinc/62/86/97/1040628697.db2.gz SNBKANRONLKHMJ-CTDOOQEKSA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@H]21 ZINC001254879806 1040628723 /nfs/dbraw/zinc/62/87/23/1040628723.db2.gz SNBKANRONLKHMJ-CTDOOQEKSA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@H]21 ZINC001254879806 1040628742 /nfs/dbraw/zinc/62/87/42/1040628742.db2.gz SNBKANRONLKHMJ-CTDOOQEKSA-N 2 2 377.573 3.582 20 0 GHADLP Brc1cc(CN2CCCC[C@]23CCC[NH2+]C3)ccc1-n1cc[nH+]c1 ZINC001235177400 1040667960 /nfs/dbraw/zinc/66/79/60/1040667960.db2.gz INGOWPSBNHSUKD-LJQANCHMSA-N 2 2 389.341 3.743 20 0 GHADLP COC(=O)c1ccnc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)c1 ZINC001235203336 1040689186 /nfs/dbraw/zinc/68/91/86/1040689186.db2.gz NKJOROIMURUZOP-YYWHXJBOSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccnc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)c1 ZINC001235203336 1040689200 /nfs/dbraw/zinc/68/92/00/1040689200.db2.gz NKJOROIMURUZOP-YYWHXJBOSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccnc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@H]3C2)c1 ZINC001235203336 1040689210 /nfs/dbraw/zinc/68/92/10/1040689210.db2.gz NKJOROIMURUZOP-YYWHXJBOSA-N 2 2 399.560 3.662 20 0 GHADLP COC(=O)c1ccnc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)c1 ZINC001235203336 1040689221 /nfs/dbraw/zinc/68/92/21/1040689221.db2.gz NKJOROIMURUZOP-YYWHXJBOSA-N 2 2 399.560 3.662 20 0 GHADLP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235249019 1040730596 /nfs/dbraw/zinc/73/05/96/1040730596.db2.gz HYZPCPVFGKIZSU-FYYLOGMGSA-N 2 2 376.479 3.937 20 0 GHADLP Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235249019 1040730609 /nfs/dbraw/zinc/73/06/09/1040730609.db2.gz HYZPCPVFGKIZSU-FYYLOGMGSA-N 2 2 376.479 3.937 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255142140 1040852491 /nfs/dbraw/zinc/85/24/91/1040852491.db2.gz PRKGLQVGGNKQEB-JCJWMPMWSA-N 2 2 397.563 3.876 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255142140 1040852501 /nfs/dbraw/zinc/85/25/01/1040852501.db2.gz PRKGLQVGGNKQEB-JCJWMPMWSA-N 2 2 397.563 3.876 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[NH+]2[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255142140 1040852509 /nfs/dbraw/zinc/85/25/09/1040852509.db2.gz PRKGLQVGGNKQEB-JCJWMPMWSA-N 2 2 397.563 3.876 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[NH+]2[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255142140 1040852517 /nfs/dbraw/zinc/85/25/17/1040852517.db2.gz PRKGLQVGGNKQEB-JCJWMPMWSA-N 2 2 397.563 3.876 20 0 GHADLP CCc1ccc2ccccc2c1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001255160917 1040880975 /nfs/dbraw/zinc/88/09/75/1040880975.db2.gz SPEGUTVKMOQMTR-UHFFFAOYSA-N 2 2 396.579 3.570 20 0 GHADLP CCc1ccc2ccccc2c1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001255160917 1040880983 /nfs/dbraw/zinc/88/09/83/1040880983.db2.gz SPEGUTVKMOQMTR-UHFFFAOYSA-N 2 2 396.579 3.570 20 0 GHADLP Cc1cc(Br)c(Cl)cc1C[N@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001235404089 1040916772 /nfs/dbraw/zinc/91/67/72/1040916772.db2.gz MIZAVCDPUZZPIW-OLZOCXBDSA-N 2 2 375.713 3.920 20 0 GHADLP Cc1cc(Br)c(Cl)cc1C[N@@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001235404089 1040916784 /nfs/dbraw/zinc/91/67/84/1040916784.db2.gz MIZAVCDPUZZPIW-OLZOCXBDSA-N 2 2 375.713 3.920 20 0 GHADLP Brc1ccc2c(c1)[nH]nc2C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431131 1040931884 /nfs/dbraw/zinc/93/18/84/1040931884.db2.gz VBKAIGABGSZMKW-ZIAGYGMSSA-N 2 2 377.330 3.537 20 0 GHADLP Brc1ccc2c(c1)[nH]nc2C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431131 1040931893 /nfs/dbraw/zinc/93/18/93/1040931893.db2.gz VBKAIGABGSZMKW-ZIAGYGMSSA-N 2 2 377.330 3.537 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255400002 1040985995 /nfs/dbraw/zinc/98/59/95/1040985995.db2.gz CLABQKGYLGDJTP-ACRUOGEOSA-N 2 2 385.552 3.735 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255400002 1040985996 /nfs/dbraw/zinc/98/59/96/1040985996.db2.gz CLABQKGYLGDJTP-ACRUOGEOSA-N 2 2 385.552 3.735 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255400002 1040985998 /nfs/dbraw/zinc/98/59/98/1040985998.db2.gz CLABQKGYLGDJTP-ACRUOGEOSA-N 2 2 385.552 3.735 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255400002 1040986001 /nfs/dbraw/zinc/98/60/01/1040986001.db2.gz CLABQKGYLGDJTP-ACRUOGEOSA-N 2 2 385.552 3.735 20 0 GHADLP c1cn(Cc2ccc(-c3nnc([C@@H]4CC[N@H+](Cc5ccccc5)C4)o3)cc2)c[nH+]1 ZINC001255467814 1041070800 /nfs/dbraw/zinc/07/08/00/1041070800.db2.gz AYRHIJFZGWLIBX-OAQYLSRUSA-N 2 2 385.471 3.971 20 0 GHADLP c1cn(Cc2ccc(-c3nnc([C@@H]4CC[N@@H+](Cc5ccccc5)C4)o3)cc2)c[nH+]1 ZINC001255467814 1041070827 /nfs/dbraw/zinc/07/08/27/1041070827.db2.gz AYRHIJFZGWLIBX-OAQYLSRUSA-N 2 2 385.471 3.971 20 0 GHADLP FC(F)(F)[C@@H]1CCC[C@H]([NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)C1 ZINC001255712507 1041237219 /nfs/dbraw/zinc/23/72/19/1041237219.db2.gz ACAAGVWRFDURPK-SJORKVTESA-N 2 2 383.458 3.874 20 0 GHADLP Nc1[nH]c(CN2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c[nH+]1 ZINC001235865231 1041399236 /nfs/dbraw/zinc/39/92/36/1041399236.db2.gz ASOSHFUXUDZCJA-HXUWFJFHSA-N 2 2 381.911 3.553 20 0 GHADLP Nc1[nH]cc(CN2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC001235865231 1041399247 /nfs/dbraw/zinc/39/92/47/1041399247.db2.gz ASOSHFUXUDZCJA-HXUWFJFHSA-N 2 2 381.911 3.553 20 0 GHADLP Fc1cc(C[NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)c(Cl)cc1Cl ZINC001278897231 1041418696 /nfs/dbraw/zinc/41/86/96/1041418696.db2.gz COXMCPRNIJQSTI-UHFFFAOYSA-N 2 2 397.325 3.927 20 0 GHADLP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(F)c(Cl)cc1Cl)CC2 ZINC001278897421 1041424140 /nfs/dbraw/zinc/42/41/40/1041424140.db2.gz LPWPKAXJMOKXJK-UHFFFAOYSA-N 2 2 388.358 3.982 20 0 GHADLP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1cc(F)c(Cl)cc1Cl)CC2 ZINC001278897421 1041424147 /nfs/dbraw/zinc/42/41/47/1041424147.db2.gz LPWPKAXJMOKXJK-UHFFFAOYSA-N 2 2 388.358 3.982 20 0 GHADLP c1ccc(COc2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)cn2)cc1 ZINC001236009187 1041500157 /nfs/dbraw/zinc/50/01/57/1041500157.db2.gz JWKYYTRMHPFASP-NOZRDPDXSA-N 2 2 385.511 3.634 20 0 GHADLP c1ccc(COc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)cn2)cc1 ZINC001236009187 1041500159 /nfs/dbraw/zinc/50/01/59/1041500159.db2.gz JWKYYTRMHPFASP-NOZRDPDXSA-N 2 2 385.511 3.634 20 0 GHADLP COC(=O)[C@H]([NH3+])C1CC[NH+](Cc2c(Cl)c(Cl)ccc2C(F)(F)F)CC1 ZINC001236067128 1041518973 /nfs/dbraw/zinc/51/89/73/1041518973.db2.gz RHEKCMAYKWOPMV-CQSZACIVSA-N 2 2 399.240 3.725 20 0 GHADLP FC(F)(F)Oc1ccc(C[NH+]2CCN(Cc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC001236132904 1041560123 /nfs/dbraw/zinc/56/01/23/1041560123.db2.gz RRDMJAOXGNDKNC-UHFFFAOYSA-N 2 2 391.437 3.506 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@@H](C)Cc3cccc(OC)c3)CC2)cc1 ZINC001256153227 1041590399 /nfs/dbraw/zinc/59/03/99/1041590399.db2.gz VFGAQLKHSCYGRW-SFHVURJKSA-N 2 2 396.531 3.667 20 0 GHADLP C[N@@H+](Cc1ccc(Cl)c(I)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219237 1041627277 /nfs/dbraw/zinc/62/72/77/1041627277.db2.gz UYGNLDPEWTZJBS-KBPBESRZSA-N 2 2 378.685 3.646 20 0 GHADLP C[NH2+]C1CCC([N@H+](C)Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC1 ZINC001236216039 1041626254 /nfs/dbraw/zinc/62/62/54/1041626254.db2.gz WAWSVGZKWWXJIU-UHFFFAOYSA-N 3 2 377.330 3.597 20 0 GHADLP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC1 ZINC001236216039 1041626259 /nfs/dbraw/zinc/62/62/59/1041626259.db2.gz WAWSVGZKWWXJIU-UHFFFAOYSA-N 3 2 377.330 3.597 20 0 GHADLP C[N@H+](Cc1ccc(Cl)c(I)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219237 1041627269 /nfs/dbraw/zinc/62/72/69/1041627269.db2.gz UYGNLDPEWTZJBS-KBPBESRZSA-N 2 2 378.685 3.646 20 0 GHADLP Fc1cccc(CN(Cc2c[nH+]cn2Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236396090 1041699790 /nfs/dbraw/zinc/69/97/90/1041699790.db2.gz OXWIJZXSBJNMDU-JOCHJYFZSA-N 2 2 378.495 3.825 20 0 GHADLP COc1ccc(C[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C2CC[NH2+]CC2)cc1 ZINC001236441866 1041713433 /nfs/dbraw/zinc/71/34/33/1041713433.db2.gz IBGSYLXNEJRNSA-UHFFFAOYSA-N 2 2 388.895 3.832 20 0 GHADLP COc1ccc(C[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C2CC[NH2+]CC2)cc1 ZINC001236441866 1041713437 /nfs/dbraw/zinc/71/34/37/1041713437.db2.gz IBGSYLXNEJRNSA-UHFFFAOYSA-N 2 2 388.895 3.832 20 0 GHADLP CCOc1cc(OC)ccc1C[N@H+](Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001236446570 1041715829 /nfs/dbraw/zinc/71/58/29/1041715829.db2.gz BHZVROZCTFACRN-UHFFFAOYSA-N 2 2 384.520 3.857 20 0 GHADLP CCOc1cc(OC)ccc1C[N@@H+](Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001236446570 1041715833 /nfs/dbraw/zinc/71/58/33/1041715833.db2.gz BHZVROZCTFACRN-UHFFFAOYSA-N 2 2 384.520 3.857 20 0 GHADLP Clc1ccc(C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C2CC[NH2+]CC2)cc1 ZINC001236453697 1041718958 /nfs/dbraw/zinc/71/89/58/1041718958.db2.gz DISBWMPHHAXGAU-UHFFFAOYSA-N 3 2 375.969 3.801 20 0 GHADLP Clc1ccc(C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C2CC[NH2+]CC2)cc1 ZINC001236453697 1041718960 /nfs/dbraw/zinc/71/89/60/1041718960.db2.gz DISBWMPHHAXGAU-UHFFFAOYSA-N 3 2 375.969 3.801 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1CN(Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001236489049 1041737400 /nfs/dbraw/zinc/73/74/00/1041737400.db2.gz UIENWLKGFNSDAG-FQEVSTJZSA-N 2 2 381.911 3.675 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256468859 1041747935 /nfs/dbraw/zinc/74/79/35/1041747935.db2.gz BMOREDZIJIUXDE-DLBZAZTESA-N 2 2 375.513 3.713 20 0 GHADLP Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)n1 ZINC001236634125 1041796142 /nfs/dbraw/zinc/79/61/42/1041796142.db2.gz XZPRGUUBWGHKJA-IBGZPJMESA-N 2 2 389.927 3.892 20 0 GHADLP Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)n1 ZINC001236634125 1041796148 /nfs/dbraw/zinc/79/61/48/1041796148.db2.gz XZPRGUUBWGHKJA-IBGZPJMESA-N 2 2 389.927 3.892 20 0 GHADLP CCOC(=O)c1cccc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)n1 ZINC001236645265 1041801683 /nfs/dbraw/zinc/80/16/83/1041801683.db2.gz RPMAGMAPUOXNME-FUDKSRODSA-N 2 2 393.531 3.869 20 0 GHADLP CCOC(=O)c1cccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)n1 ZINC001236645265 1041801688 /nfs/dbraw/zinc/80/16/88/1041801688.db2.gz RPMAGMAPUOXNME-FUDKSRODSA-N 2 2 393.531 3.869 20 0 GHADLP CCOC(=O)c1cccc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)n1 ZINC001236645265 1041801692 /nfs/dbraw/zinc/80/16/92/1041801692.db2.gz RPMAGMAPUOXNME-FUDKSRODSA-N 2 2 393.531 3.869 20 0 GHADLP CCOC(=O)c1cccc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)n1 ZINC001236645265 1041801695 /nfs/dbraw/zinc/80/16/95/1041801695.db2.gz RPMAGMAPUOXNME-FUDKSRODSA-N 2 2 393.531 3.869 20 0 GHADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2cccc(-n3cncn3)c2)CC1 ZINC001236889319 1041941434 /nfs/dbraw/zinc/94/14/34/1041941434.db2.gz KJRQSBBHXONIBG-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2cccc(-n3cncn3)c2)CC1 ZINC001236889319 1041941437 /nfs/dbraw/zinc/94/14/37/1041941437.db2.gz KJRQSBBHXONIBG-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP Fc1ccc(N2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC2)nc1 ZINC001236902907 1041947833 /nfs/dbraw/zinc/94/78/33/1041947833.db2.gz JTVDDPGGTYLEEX-UHFFFAOYSA-N 2 2 385.874 3.772 20 0 GHADLP Fc1ccc(N2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC2)nc1 ZINC001236902907 1041947834 /nfs/dbraw/zinc/94/78/34/1041947834.db2.gz JTVDDPGGTYLEEX-UHFFFAOYSA-N 2 2 385.874 3.772 20 0 GHADLP CC(C)N1CCC2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)CC2)C1=O ZINC001236920877 1041959356 /nfs/dbraw/zinc/95/93/56/1041959356.db2.gz ZVRWVKDEJGZZTC-UHFFFAOYSA-N 2 2 386.927 3.749 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(F)c(N3CCOCC3)c2)C2CCCC2)CC1 ZINC001236965036 1041971503 /nfs/dbraw/zinc/97/15/03/1041971503.db2.gz CGLJPVKKRADGKI-UHFFFAOYSA-N 2 2 375.532 3.501 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)c(N3CCOCC3)c2)C2CCCC2)CC1 ZINC001236965036 1041971506 /nfs/dbraw/zinc/97/15/06/1041971506.db2.gz CGLJPVKKRADGKI-UHFFFAOYSA-N 2 2 375.532 3.501 20 0 GHADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(NC(=O)OC(C)(C)C)c(F)c3)C[C@@H]2C1 ZINC001237043280 1042002644 /nfs/dbraw/zinc/00/26/44/1042002644.db2.gz DIQHYKJPRSWMNA-CALCHBBNSA-N 2 2 377.504 3.946 20 0 GHADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(NC(=O)OC(C)(C)C)c(F)c3)C[C@@H]2C1 ZINC001237043280 1042002649 /nfs/dbraw/zinc/00/26/49/1042002649.db2.gz DIQHYKJPRSWMNA-CALCHBBNSA-N 2 2 377.504 3.946 20 0 GHADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(NC(=O)OC(C)(C)C)c(F)c3)C[C@@H]2C1 ZINC001237043280 1042002658 /nfs/dbraw/zinc/00/26/58/1042002658.db2.gz DIQHYKJPRSWMNA-CALCHBBNSA-N 2 2 377.504 3.946 20 0 GHADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(NC(=O)OC(C)(C)C)c(F)c3)C[C@@H]2C1 ZINC001237043280 1042002667 /nfs/dbraw/zinc/00/26/67/1042002667.db2.gz DIQHYKJPRSWMNA-CALCHBBNSA-N 2 2 377.504 3.946 20 0 GHADLP c1cc(N2CC[NH+](Cc3ccc(C4CCC4)cc3)CC2)nc(N2CCCC2)[nH+]1 ZINC001237108282 1042041663 /nfs/dbraw/zinc/04/16/63/1042041663.db2.gz SHMKAOQIABOKBM-UHFFFAOYSA-N 2 2 377.536 3.667 20 0 GHADLP CC(C)C1=[NH+]CCc2ccc(CN3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)cc21 ZINC001237880497 1042407402 /nfs/dbraw/zinc/40/74/02/1042407402.db2.gz XCZDVAMXVWHHRM-FQEVSTJZSA-N 2 2 375.507 3.993 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc(N5CCCCC5)n4)C[C@H]3C2)cc1 ZINC001238011615 1042458494 /nfs/dbraw/zinc/45/84/94/1042458494.db2.gz SPGSLVBJMIPFDS-FGZHOGPDSA-N 2 2 376.548 3.636 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4Oc4cnccn4)C[C@@H]3C2)cc1 ZINC001238013310 1042459157 /nfs/dbraw/zinc/45/91/57/1042459157.db2.gz ILZFYRAJEJSSOU-SZPZYZBQSA-N 2 2 386.499 3.833 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4Oc4cnccn4)C[C@@H]3C2)cc1 ZINC001238013310 1042459158 /nfs/dbraw/zinc/45/91/58/1042459158.db2.gz ILZFYRAJEJSSOU-SZPZYZBQSA-N 2 2 386.499 3.833 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4Oc4cnccn4)C[C@@H]3C2)cc1 ZINC001238013310 1042459160 /nfs/dbraw/zinc/45/91/60/1042459160.db2.gz ILZFYRAJEJSSOU-SZPZYZBQSA-N 2 2 386.499 3.833 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4Oc4cnccn4)C[C@@H]3C2)cc1 ZINC001238013310 1042459162 /nfs/dbraw/zinc/45/91/62/1042459162.db2.gz ILZFYRAJEJSSOU-SZPZYZBQSA-N 2 2 386.499 3.833 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4Oc4cnccn4)C[C@H]3C2)cc1 ZINC001238013309 1042459174 /nfs/dbraw/zinc/45/91/74/1042459174.db2.gz ILZFYRAJEJSSOU-FGZHOGPDSA-N 2 2 386.499 3.833 20 0 GHADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(OC)c(OCc4ccccc4)c(OC)c3)C[C@@H]2C1 ZINC001238115349 1042496164 /nfs/dbraw/zinc/49/61/64/1042496164.db2.gz YBLSTQABAAJOJW-OYRHEFFESA-N 2 2 396.531 3.666 20 0 GHADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(OC)c(OCc4ccccc4)c(OC)c3)C[C@@H]2C1 ZINC001238115349 1042496168 /nfs/dbraw/zinc/49/61/68/1042496168.db2.gz YBLSTQABAAJOJW-OYRHEFFESA-N 2 2 396.531 3.666 20 0 GHADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(OC)c(OCc4ccccc4)c(OC)c3)C[C@@H]2C1 ZINC001238115349 1042496170 /nfs/dbraw/zinc/49/61/70/1042496170.db2.gz YBLSTQABAAJOJW-OYRHEFFESA-N 2 2 396.531 3.666 20 0 GHADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(OC)c(OCc4ccccc4)c(OC)c3)C[C@@H]2C1 ZINC001238115349 1042496175 /nfs/dbraw/zinc/49/61/75/1042496175.db2.gz YBLSTQABAAJOJW-OYRHEFFESA-N 2 2 396.531 3.666 20 0 GHADLP COc1c(C)cnc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c1C ZINC001238172663 1042508006 /nfs/dbraw/zinc/50/80/06/1042508006.db2.gz MPGXUKXCRYLAEL-UHFFFAOYSA-N 2 2 376.504 3.886 20 0 GHADLP Cc1c(Cl)ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1F ZINC001238514576 1042625625 /nfs/dbraw/zinc/62/56/25/1042625625.db2.gz GBTZVVFUUYOUAN-UHFFFAOYSA-N 2 2 376.907 3.638 20 0 GHADLP Cc1cc(C[N@H+]2CCc3[nH+]cc(Cn4cccn4)n3CC2)cnc1-c1ccccc1 ZINC001238610968 1042658319 /nfs/dbraw/zinc/65/83/19/1042658319.db2.gz QEWQABCNCXNNHM-UHFFFAOYSA-N 2 2 398.514 3.557 20 0 GHADLP Cc1cc(C[N@@H+]2CCc3[nH+]cc(Cn4cccn4)n3CC2)cnc1-c1ccccc1 ZINC001238610968 1042658325 /nfs/dbraw/zinc/65/83/25/1042658325.db2.gz QEWQABCNCXNNHM-UHFFFAOYSA-N 2 2 398.514 3.557 20 0 GHADLP c1[nH]c2ccc(-c3ccc(C[NH+]4CCOCC4)nc3)cc2c1CC[NH+]1CCCC1 ZINC001239587899 1042837944 /nfs/dbraw/zinc/83/79/44/1042837944.db2.gz CUWHHVPOECPHIR-UHFFFAOYSA-N 2 2 390.531 3.700 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c(C(F)(F)F)c1 ZINC001462664805 1070455164 /nfs/dbraw/zinc/45/51/64/1070455164.db2.gz IUHXJADWMAPZRS-UHFFFAOYSA-N 2 2 381.398 3.605 20 0 GHADLP C[NH+]1CCN(c2ccc(-c3ccc(-c4nc5c(o4)CC[N@H+](C)C5)cc3)cc2)CC1 ZINC001240854959 1042959741 /nfs/dbraw/zinc/95/97/41/1042959741.db2.gz QSHVGTMCZQYXJC-UHFFFAOYSA-N 2 2 388.515 3.748 20 0 GHADLP C[NH+]1CCN(c2ccc(-c3ccc(-c4nc5c(o4)CC[N@@H+](C)C5)cc3)cc2)CC1 ZINC001240854959 1042959742 /nfs/dbraw/zinc/95/97/42/1042959742.db2.gz QSHVGTMCZQYXJC-UHFFFAOYSA-N 2 2 388.515 3.748 20 0 GHADLP Cc1cc(O[C@@H]2CCC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)ncn1 ZINC001256552262 1043516837 /nfs/dbraw/zinc/51/68/37/1043516837.db2.gz ABBUZCSANKTMFK-ILWGZMRPSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cc(O[C@@H]2CCC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)ncn1 ZINC001256552262 1043516841 /nfs/dbraw/zinc/51/68/41/1043516841.db2.gz ABBUZCSANKTMFK-ILWGZMRPSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)ncn1 ZINC001256552262 1043516847 /nfs/dbraw/zinc/51/68/47/1043516847.db2.gz ABBUZCSANKTMFK-ILWGZMRPSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)ncn1 ZINC001256552262 1043516859 /nfs/dbraw/zinc/51/68/59/1043516859.db2.gz ABBUZCSANKTMFK-ILWGZMRPSA-N 2 2 380.536 3.681 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256552749 1043518677 /nfs/dbraw/zinc/51/86/77/1043518677.db2.gz CQTSIYCPZQMGEH-CEMLEFRQSA-N 2 2 395.547 3.987 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256552749 1043518687 /nfs/dbraw/zinc/51/86/87/1043518687.db2.gz CQTSIYCPZQMGEH-CEMLEFRQSA-N 2 2 395.547 3.987 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256552749 1043518700 /nfs/dbraw/zinc/51/87/00/1043518700.db2.gz CQTSIYCPZQMGEH-CEMLEFRQSA-N 2 2 395.547 3.987 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256552749 1043518704 /nfs/dbraw/zinc/51/87/04/1043518704.db2.gz CQTSIYCPZQMGEH-CEMLEFRQSA-N 2 2 395.547 3.987 20 0 GHADLP Cc1nccnc1O[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556784 1043527659 /nfs/dbraw/zinc/52/76/59/1043527659.db2.gz IUNZHADGAPGXJW-STZQEDGTSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1nccnc1O[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556784 1043527666 /nfs/dbraw/zinc/52/76/66/1043527666.db2.gz IUNZHADGAPGXJW-STZQEDGTSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1nccnc1O[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556784 1043527679 /nfs/dbraw/zinc/52/76/79/1043527679.db2.gz IUNZHADGAPGXJW-STZQEDGTSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1nccnc1O[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556784 1043527690 /nfs/dbraw/zinc/52/76/90/1043527690.db2.gz IUNZHADGAPGXJW-STZQEDGTSA-N 2 2 380.536 3.681 20 0 GHADLP COc1cccnc1O[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256557616 1043530215 /nfs/dbraw/zinc/53/02/15/1043530215.db2.gz NSHAGYUXMBBHFY-SESVDKBCSA-N 2 2 381.520 3.596 20 0 GHADLP COc1cccnc1O[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256557616 1043530224 /nfs/dbraw/zinc/53/02/24/1043530224.db2.gz NSHAGYUXMBBHFY-SESVDKBCSA-N 2 2 381.520 3.596 20 0 GHADLP COc1cccnc1O[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256557616 1043530228 /nfs/dbraw/zinc/53/02/28/1043530228.db2.gz NSHAGYUXMBBHFY-SESVDKBCSA-N 2 2 381.520 3.596 20 0 GHADLP COc1cccnc1O[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256557616 1043530233 /nfs/dbraw/zinc/53/02/33/1043530233.db2.gz NSHAGYUXMBBHFY-SESVDKBCSA-N 2 2 381.520 3.596 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256559232 1043532823 /nfs/dbraw/zinc/53/28/23/1043532823.db2.gz ZNVJXVVMUYRBSR-PTUXOGIPSA-N 2 2 389.543 3.770 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CC[N@H+]1Cc1ccccc1 ZINC001256559232 1043532831 /nfs/dbraw/zinc/53/28/31/1043532831.db2.gz ZNVJXVVMUYRBSR-PTUXOGIPSA-N 2 2 389.543 3.770 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CC[NH+]1Cc1ccccc1 ZINC001256559232 1043532836 /nfs/dbraw/zinc/53/28/36/1043532836.db2.gz ZNVJXVVMUYRBSR-PTUXOGIPSA-N 2 2 389.543 3.770 20 0 GHADLP C[C@@H]1C[C@H]([N@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CC[NH+]1Cc1ccccc1 ZINC001256559232 1043532840 /nfs/dbraw/zinc/53/28/40/1043532840.db2.gz ZNVJXVVMUYRBSR-PTUXOGIPSA-N 2 2 389.543 3.770 20 0 GHADLP c1ccc(C[NH+]2CC3(C2)CC[NH+](C2CC[NH+](Cc4ccncc4)CC2)CC3)cc1 ZINC001256593872 1043560193 /nfs/dbraw/zinc/56/01/93/1043560193.db2.gz GPKULIGEMAZXSK-UHFFFAOYSA-N 3 2 390.575 3.644 20 0 GHADLP [NH3+]C1(Cc2ccc(F)cc2)CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256602529 1043565380 /nfs/dbraw/zinc/56/53/80/1043565380.db2.gz ZNLZOIXEMBISCW-UHFFFAOYSA-N 3 2 381.539 3.826 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC001256613555 1043577738 /nfs/dbraw/zinc/57/77/38/1043577738.db2.gz PHGZTFUQVIJBOT-UHFFFAOYSA-N 2 2 387.568 3.984 20 0 GHADLP Fc1ccc(C[C@H]2CC[N@H+](C3CCC([NH+]4CCOCC4)CC3)CC2(F)F)cc1 ZINC001256698639 1043628970 /nfs/dbraw/zinc/62/89/70/1043628970.db2.gz DJSPGGZXDIQKIG-KMFTYDHNSA-N 2 2 396.497 3.969 20 0 GHADLP COc1ccc(F)c(CN2CCC([NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC001256907807 1043734908 /nfs/dbraw/zinc/73/49/08/1043734908.db2.gz ISVCQAXGMXCYPO-HXUWFJFHSA-N 2 2 389.559 3.795 20 0 GHADLP COc1ccc(F)c(CN2CCC([NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001256907807 1043734924 /nfs/dbraw/zinc/73/49/24/1043734924.db2.gz ISVCQAXGMXCYPO-HXUWFJFHSA-N 2 2 389.559 3.795 20 0 GHADLP Fc1cc(F)cc(CN2CCC([NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC001256909725 1043735146 /nfs/dbraw/zinc/73/51/46/1043735146.db2.gz VKUXVNFDZBOTGA-NRFANRHFSA-N 2 2 377.523 3.926 20 0 GHADLP Fc1cc(F)cc(CN2CCC([NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001256909725 1043735158 /nfs/dbraw/zinc/73/51/58/1043735158.db2.gz VKUXVNFDZBOTGA-NRFANRHFSA-N 2 2 377.523 3.926 20 0 GHADLP CC[C@@H]1C[C@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CCN1C(=O)OC(C)(C)C ZINC001257132504 1043880481 /nfs/dbraw/zinc/88/04/81/1043880481.db2.gz PGLNTBNOLXYSCI-RTBURBONSA-N 2 2 377.573 3.582 20 0 GHADLP CC[C@@H]1C[C@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CCN1C(=O)OC(C)(C)C ZINC001257132504 1043880502 /nfs/dbraw/zinc/88/05/02/1043880502.db2.gz PGLNTBNOLXYSCI-RTBURBONSA-N 2 2 377.573 3.582 20 0 GHADLP C[C@H](CC[NH+](C)C)C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001293122345 1044027387 /nfs/dbraw/zinc/02/73/87/1044027387.db2.gz DDBHGKJQPGFFIU-MRXNPFEDSA-N 2 2 394.922 3.682 20 0 GHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257753214 1044143039 /nfs/dbraw/zinc/14/30/39/1044143039.db2.gz VCBMKVLLOVZMQW-GOSISDBHSA-N 2 2 379.589 3.876 20 0 GHADLP COc1cccc(CC2([NH3+])CC[NH+]([C@@H]3COc4ccc(Cl)cc4C3)CC2)c1 ZINC001257957234 1044274096 /nfs/dbraw/zinc/27/40/96/1044274096.db2.gz XWJRIHXVSPIKAL-IBGZPJMESA-N 2 2 386.923 3.688 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H](n2cc[nH+]c2CC[NH3+])C[C@@H]1Cc1ccccc1 ZINC001257973467 1044296384 /nfs/dbraw/zinc/29/63/84/1044296384.db2.gz LYSAKLFPGVTCHS-MOPGFXCFSA-N 2 2 384.524 3.568 20 0 GHADLP COC(=O)c1ccc(C2([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC001258131132 1044416087 /nfs/dbraw/zinc/41/60/87/1044416087.db2.gz AYVGCKAFVXVLAR-UHFFFAOYSA-N 2 2 378.516 3.759 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[NH+](C4CC[NH+](CCc5ccccc5)CC4)C[C@@H]3C2)c1 ZINC001258141828 1044427166 /nfs/dbraw/zinc/42/71/66/1044427166.db2.gz DJMJTODJMUYDPB-VXKWHMMOSA-N 3 2 395.616 3.819 20 0 GHADLP FC1(F)CN(C2CC[NH+](CCc3ccccc3)CC2)CC[C@@H]1[NH+]1CCCCC1 ZINC001258149691 1044438776 /nfs/dbraw/zinc/43/87/76/1044438776.db2.gz PHEPQOXMEMHZKQ-QFIPXVFZSA-N 2 2 391.550 3.889 20 0 GHADLP C[C@H]1CC([NH2+]C2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C[C@H](C)C1 ZINC001258156792 1044445062 /nfs/dbraw/zinc/44/50/62/1044445062.db2.gz RXRIMUDLRCUZAZ-MBOZVWFJSA-N 2 2 379.589 3.875 20 0 GHADLP C[C@H](Cc1ccco1)n1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC001258181561 1044457851 /nfs/dbraw/zinc/45/78/51/1044457851.db2.gz DJZUDDINFNGZHA-ZHRRBRCNSA-N 2 2 388.471 3.942 20 0 GHADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000479048953 1044667658 /nfs/dbraw/zinc/66/76/58/1044667658.db2.gz AECHGCPDTUDBLY-SJORKVTESA-N 2 2 398.532 3.548 20 0 GHADLP Cc1nc(NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c(Br)c(C)[nH+]1 ZINC000379670593 1046770812 /nfs/dbraw/zinc/77/08/12/1046770812.db2.gz JAIXPDHVLUWBJI-CYBMUJFWSA-N 2 2 377.330 3.600 20 0 GHADLP Cc1nc(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c(Br)c(C)[nH+]1 ZINC000379670593 1046770824 /nfs/dbraw/zinc/77/08/24/1046770824.db2.gz JAIXPDHVLUWBJI-CYBMUJFWSA-N 2 2 377.330 3.600 20 0 GHADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)c1c[nH+]ccc1Nc1ccccc1 ZINC001302594620 1046995065 /nfs/dbraw/zinc/99/50/65/1046995065.db2.gz ZXSLJKIAFJGFGK-HXUWFJFHSA-N 2 2 378.520 3.774 20 0 GHADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)c1c[nH+]ccc1Nc1ccccc1 ZINC001302594620 1046995069 /nfs/dbraw/zinc/99/50/69/1046995069.db2.gz ZXSLJKIAFJGFGK-HXUWFJFHSA-N 2 2 378.520 3.774 20 0 GHADLP Cc1ncsc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(Cl)ncc3O)(C1)CCC2 ZINC001279682528 1047913021 /nfs/dbraw/zinc/91/30/21/1047913021.db2.gz BLUCRKSEQZAMLR-MOPGFXCFSA-N 2 2 392.956 3.930 20 0 GHADLP Cc1cccc(Oc2ccc(NC(=O)C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)cc2)c1 ZINC001307991418 1049743610 /nfs/dbraw/zinc/74/36/10/1049743610.db2.gz ZMZDLUUFLDKXJG-MOPGFXCFSA-N 2 2 379.504 3.609 20 0 GHADLP Cc1cccc(Oc2ccc(NC(=O)C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)cc2)c1 ZINC001307991418 1049743616 /nfs/dbraw/zinc/74/36/16/1049743616.db2.gz ZMZDLUUFLDKXJG-MOPGFXCFSA-N 2 2 379.504 3.609 20 0 GHADLP Cc1cccc(Oc2ccc(NC(=O)C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)cc2)c1 ZINC001307991418 1049743620 /nfs/dbraw/zinc/74/36/20/1049743620.db2.gz ZMZDLUUFLDKXJG-MOPGFXCFSA-N 2 2 379.504 3.609 20 0 GHADLP Cc1cccc(Oc2ccc(NC(=O)C[N@@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)cc2)c1 ZINC001307991418 1049743626 /nfs/dbraw/zinc/74/36/26/1049743626.db2.gz ZMZDLUUFLDKXJG-MOPGFXCFSA-N 2 2 379.504 3.609 20 0 GHADLP Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CCN(c4cc[nH+]cc4)C[C@H]3C)n2)cc1F ZINC001308087928 1049834434 /nfs/dbraw/zinc/83/44/34/1049834434.db2.gz AEZZLNUGYNUHRF-HZPDHXFCSA-N 2 2 381.455 3.851 20 0 GHADLP Cc1ccc(-c2noc([C@@H](C)[N@H+]3CCN(c4cc[nH+]cc4)C[C@H]3C)n2)cc1F ZINC001308087928 1049834449 /nfs/dbraw/zinc/83/44/49/1049834449.db2.gz AEZZLNUGYNUHRF-HZPDHXFCSA-N 2 2 381.455 3.851 20 0 GHADLP CCCn1nccc1NC(=O)C[N@H+](CCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001308152748 1049889256 /nfs/dbraw/zinc/88/92/56/1049889256.db2.gz BMXKSOJSWWFHPU-UHFFFAOYSA-N 2 2 397.567 3.608 20 0 GHADLP CCCn1nccc1NC(=O)C[N@@H+](CCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001308152748 1049889259 /nfs/dbraw/zinc/88/92/59/1049889259.db2.gz BMXKSOJSWWFHPU-UHFFFAOYSA-N 2 2 397.567 3.608 20 0 GHADLP Cc1ccn2cc(C[NH2+]Cc3ccc(OCCn4cc[nH+]c4)c(Cl)c3)nc2c1 ZINC001308253335 1049927502 /nfs/dbraw/zinc/92/75/02/1049927502.db2.gz PNVNRVNACIDKQY-UHFFFAOYSA-N 2 2 395.894 3.861 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC[N@@H+]1C ZINC001308293210 1049940391 /nfs/dbraw/zinc/94/03/91/1049940391.db2.gz KNKNFCPRVJTOKB-GOEBONIOSA-N 2 2 379.570 3.614 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC[N@H+]1C ZINC001308293210 1049940393 /nfs/dbraw/zinc/94/03/93/1049940393.db2.gz KNKNFCPRVJTOKB-GOEBONIOSA-N 2 2 379.570 3.614 20 0 GHADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001308452070 1049979697 /nfs/dbraw/zinc/97/96/97/1049979697.db2.gz BODWSPUDNUEYEV-OAHLLOKOSA-N 2 2 386.380 3.907 20 0 GHADLP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001308681171 1050057165 /nfs/dbraw/zinc/05/71/65/1050057165.db2.gz MWDCZSNMHYUYAU-HXUWFJFHSA-N 2 2 377.536 3.986 20 0 GHADLP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001308681171 1050057169 /nfs/dbraw/zinc/05/71/69/1050057169.db2.gz MWDCZSNMHYUYAU-HXUWFJFHSA-N 2 2 377.536 3.986 20 0 GHADLP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001308897068 1050146906 /nfs/dbraw/zinc/14/69/06/1050146906.db2.gz HDPRSZOGYPWOAB-UZLBHIALSA-N 2 2 386.923 3.984 20 0 GHADLP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001308897068 1050146910 /nfs/dbraw/zinc/14/69/10/1050146910.db2.gz HDPRSZOGYPWOAB-UZLBHIALSA-N 2 2 386.923 3.984 20 0 GHADLP CC[C@@H](CNC(=O)Nc1cc(C)c2[nH+]ccn2c1)[N@@H+]1CCc2ccccc2C1 ZINC001310807535 1051608365 /nfs/dbraw/zinc/60/83/65/1051608365.db2.gz XNBPWXQOMRNAHW-FQEVSTJZSA-N 2 2 377.492 3.601 20 0 GHADLP CC[C@@H](CNC(=O)Nc1cc(C)c2[nH+]ccn2c1)[N@H+]1CCc2ccccc2C1 ZINC001310807535 1051608371 /nfs/dbraw/zinc/60/83/71/1051608371.db2.gz XNBPWXQOMRNAHW-FQEVSTJZSA-N 2 2 377.492 3.601 20 0 GHADLP CCn1c(=S)n(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)nc1-c1cccs1 ZINC001336267369 1052248784 /nfs/dbraw/zinc/24/87/84/1052248784.db2.gz HITDOZYORZKCEY-HRCADAONSA-N 2 2 391.610 3.782 20 0 GHADLP CCn1c(=S)n(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)nc1-c1cccs1 ZINC001336267369 1052248792 /nfs/dbraw/zinc/24/87/92/1052248792.db2.gz HITDOZYORZKCEY-HRCADAONSA-N 2 2 391.610 3.782 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2cccs2)s1 ZINC001320019186 1055601552 /nfs/dbraw/zinc/60/15/52/1055601552.db2.gz GOKOKUPRLDZIFT-UHFFFAOYSA-N 2 2 377.579 3.575 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2cccs2)s1 ZINC001320019186 1055601561 /nfs/dbraw/zinc/60/15/61/1055601561.db2.gz GOKOKUPRLDZIFT-UHFFFAOYSA-N 2 2 377.579 3.575 20 0 GHADLP Cc1noc(C)c1C[C@@H](C)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001200639117 1056555999 /nfs/dbraw/zinc/55/59/99/1056555999.db2.gz BYZGVHWCKSEBPQ-CQSZACIVSA-N 2 2 388.899 3.941 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001322745413 1056832033 /nfs/dbraw/zinc/83/20/33/1056832033.db2.gz OSKOQKLPRZDURX-RBUKOAKNSA-N 2 2 390.572 3.712 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001322745413 1056832040 /nfs/dbraw/zinc/83/20/40/1056832040.db2.gz OSKOQKLPRZDURX-RBUKOAKNSA-N 2 2 390.572 3.712 20 0 GHADLP C[C@H](C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000505811735 1057158094 /nfs/dbraw/zinc/15/80/94/1057158094.db2.gz IQTUKPRVKIWQJG-GOSISDBHSA-N 2 2 389.503 3.549 20 0 GHADLP Cc1ccc([C@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)[NH+]2CCCC2)o1 ZINC001442884776 1059025384 /nfs/dbraw/zinc/02/53/84/1059025384.db2.gz QHVJBIGIMDFBLX-IBGZPJMESA-N 2 2 385.508 3.734 20 0 GHADLP C[C@H](CC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1)n1cc[nH+]c1 ZINC001444504332 1059332113 /nfs/dbraw/zinc/33/21/13/1059332113.db2.gz PJVXHLOZQHULIB-HXUWFJFHSA-N 2 2 380.536 3.882 20 0 GHADLP C[C@H](CC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1)n1cc[nH+]c1 ZINC001444504332 1059332130 /nfs/dbraw/zinc/33/21/30/1059332130.db2.gz PJVXHLOZQHULIB-HXUWFJFHSA-N 2 2 380.536 3.882 20 0 GHADLP Cn1c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)ccc1[C@@H]1CCCC[NH2+]1 ZINC001340140114 1059720192 /nfs/dbraw/zinc/72/01/92/1059720192.db2.gz ODYUZMADXNOXMD-INIZCTEOSA-N 2 2 387.553 3.534 20 0 GHADLP CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001340142685 1059721704 /nfs/dbraw/zinc/72/17/04/1059721704.db2.gz LJDDWODDBOFQMI-TZIWHRDSSA-N 2 2 398.599 3.659 20 0 GHADLP CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001340142685 1059721726 /nfs/dbraw/zinc/72/17/26/1059721726.db2.gz LJDDWODDBOFQMI-TZIWHRDSSA-N 2 2 398.599 3.659 20 0 GHADLP C[C@@H](C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC001448620209 1060231418 /nfs/dbraw/zinc/23/14/18/1060231418.db2.gz LDOLFCUNHITNLO-KURKYZTESA-N 2 2 388.943 3.827 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCC(C)CC3)ccn12 ZINC001348261184 1062970748 /nfs/dbraw/zinc/97/07/48/1062970748.db2.gz YZUMHVUDAFFCEU-SFHVURJKSA-N 2 2 382.533 3.907 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(-c3cnn(C)c3)cc2)cc1 ZINC001350006935 1063963259 /nfs/dbraw/zinc/96/32/59/1063963259.db2.gz RBECYZVAYBJDPB-ZEQRLZLVSA-N 2 2 390.531 3.721 20 0 GHADLP CC(C)[C@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC001350328943 1064057361 /nfs/dbraw/zinc/05/73/61/1064057361.db2.gz YXAYHNZUWOVVBX-VQTJNVASSA-N 2 2 379.976 3.815 20 0 GHADLP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)c1 ZINC001438569964 1064072377 /nfs/dbraw/zinc/07/23/77/1064072377.db2.gz CDLNOECLYTVRET-PKTZIBPZSA-N 2 2 377.532 3.652 20 0 GHADLP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)c1 ZINC001438569964 1064072384 /nfs/dbraw/zinc/07/23/84/1064072384.db2.gz CDLNOECLYTVRET-PKTZIBPZSA-N 2 2 377.532 3.652 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NC[C@H]2c3ccccc3C[NH+]2C)c1 ZINC001438569964 1064072388 /nfs/dbraw/zinc/07/23/88/1064072388.db2.gz CDLNOECLYTVRET-PKTZIBPZSA-N 2 2 377.532 3.652 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC[C@H]2c3ccccc3C[NH+]2C)c1 ZINC001438569964 1064072394 /nfs/dbraw/zinc/07/23/94/1064072394.db2.gz CDLNOECLYTVRET-PKTZIBPZSA-N 2 2 377.532 3.652 20 0 GHADLP C[N@@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001459586296 1064135455 /nfs/dbraw/zinc/13/54/55/1064135455.db2.gz XLLGCXGNZKBHEX-FQEVSTJZSA-N 2 2 388.515 3.803 20 0 GHADLP C[N@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001459586296 1064135461 /nfs/dbraw/zinc/13/54/61/1064135461.db2.gz XLLGCXGNZKBHEX-FQEVSTJZSA-N 2 2 388.515 3.803 20 0 GHADLP C[NH+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001459586296 1064135464 /nfs/dbraw/zinc/13/54/64/1064135464.db2.gz XLLGCXGNZKBHEX-FQEVSTJZSA-N 2 2 388.515 3.803 20 0 GHADLP C[NH+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001459586296 1064135468 /nfs/dbraw/zinc/13/54/68/1064135468.db2.gz XLLGCXGNZKBHEX-FQEVSTJZSA-N 2 2 388.515 3.803 20 0 GHADLP C[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCCN(c2ccccc2)C1 ZINC001459616560 1064144274 /nfs/dbraw/zinc/14/42/74/1064144274.db2.gz VIWYYRFOINJNBV-DQEYMECFSA-N 2 2 393.575 3.878 20 0 GHADLP C[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCCN(c2ccccc2)C1 ZINC001459616560 1064144278 /nfs/dbraw/zinc/14/42/78/1064144278.db2.gz VIWYYRFOINJNBV-DQEYMECFSA-N 2 2 393.575 3.878 20 0 GHADLP C[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCCN(c2ccccc2)C1 ZINC001459616560 1064144282 /nfs/dbraw/zinc/14/42/82/1064144282.db2.gz VIWYYRFOINJNBV-DQEYMECFSA-N 2 2 393.575 3.878 20 0 GHADLP C[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCCN(c2ccccc2)C1 ZINC001459616560 1064144287 /nfs/dbraw/zinc/14/42/87/1064144287.db2.gz VIWYYRFOINJNBV-DQEYMECFSA-N 2 2 393.575 3.878 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC001350771276 1064185044 /nfs/dbraw/zinc/18/50/44/1064185044.db2.gz FFMGRGZUTIUXNH-INIZCTEOSA-N 2 2 389.588 3.836 20 0 GHADLP C[C@@H](CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC001357800072 1067278428 /nfs/dbraw/zinc/27/84/28/1067278428.db2.gz ZZJUQJJJUQDFNG-HRAATJIYSA-N 2 2 385.939 3.506 20 0 GHADLP C[C@@H](CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC001357800072 1067278440 /nfs/dbraw/zinc/27/84/40/1067278440.db2.gz ZZJUQJJJUQDFNG-HRAATJIYSA-N 2 2 385.939 3.506 20 0 GHADLP O=C(NC[C@@H]1CC[NH+]1Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001470376008 1068708707 /nfs/dbraw/zinc/70/87/07/1068708707.db2.gz RUCGVCGFHMKOOB-XZOQPEGZSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(NC[C@@H]1CC[NH+]1Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001470376008 1068708718 /nfs/dbraw/zinc/70/87/18/1068708718.db2.gz RUCGVCGFHMKOOB-XZOQPEGZSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001470376008 1068708733 /nfs/dbraw/zinc/70/87/33/1068708733.db2.gz RUCGVCGFHMKOOB-XZOQPEGZSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001470376008 1068708748 /nfs/dbraw/zinc/70/87/48/1068708748.db2.gz RUCGVCGFHMKOOB-XZOQPEGZSA-N 2 2 395.522 3.571 20 0 GHADLP CCCC[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@H]1CCc2ncsc2C1 ZINC001460337192 1068930804 /nfs/dbraw/zinc/93/08/04/1068930804.db2.gz KHJYOFSBLHNMGI-PMACEKPBSA-N 2 2 387.593 3.595 20 0 GHADLP CCCC[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@H]1CCc2ncsc2C1 ZINC001460337192 1068930808 /nfs/dbraw/zinc/93/08/08/1068930808.db2.gz KHJYOFSBLHNMGI-PMACEKPBSA-N 2 2 387.593 3.595 20 0 GHADLP CCCC[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@H]1CCc2ncsc2C1 ZINC001460337192 1068930811 /nfs/dbraw/zinc/93/08/11/1068930811.db2.gz KHJYOFSBLHNMGI-PMACEKPBSA-N 2 2 387.593 3.595 20 0 GHADLP CCCC[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@H]1CCc2ncsc2C1 ZINC001460337192 1068930817 /nfs/dbraw/zinc/93/08/17/1068930817.db2.gz KHJYOFSBLHNMGI-PMACEKPBSA-N 2 2 387.593 3.595 20 0 GHADLP COc1ccc(-c2nc(C[NH+]3CCC(c4c[nH+]cn4C)CC3)cs2)c(OC)c1 ZINC001460958663 1069298369 /nfs/dbraw/zinc/29/83/69/1069298369.db2.gz HQYIETRZYUDKBK-UHFFFAOYSA-N 2 2 398.532 3.940 20 0 GHADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC001470700210 1072691720 /nfs/dbraw/zinc/69/17/20/1072691720.db2.gz CSXZTFVZXOGBDG-NRFANRHFSA-N 2 2 392.563 3.582 20 0 GHADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCCC[N@@H+](C)CC(C)C)CC1 ZINC001470700210 1072691723 /nfs/dbraw/zinc/69/17/23/1072691723.db2.gz CSXZTFVZXOGBDG-NRFANRHFSA-N 2 2 392.563 3.582 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC(Oc4ccccc4)CC3)C2)cc1 ZINC001473119150 1073788893 /nfs/dbraw/zinc/78/88/93/1073788893.db2.gz DXAJQKOWRXZMJV-DEOSSOPVSA-N 2 2 380.532 3.821 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC(Oc4ccccc4)CC3)C2)cc1 ZINC001473119150 1073788897 /nfs/dbraw/zinc/78/88/97/1073788897.db2.gz DXAJQKOWRXZMJV-DEOSSOPVSA-N 2 2 380.532 3.821 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC001473127437 1073794014 /nfs/dbraw/zinc/79/40/14/1073794014.db2.gz GKCPZLIAXDOXOP-REWPJTCUSA-N 2 2 385.596 3.965 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC001473127437 1073794020 /nfs/dbraw/zinc/79/40/20/1073794020.db2.gz GKCPZLIAXDOXOP-REWPJTCUSA-N 2 2 385.596 3.965 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(OCC(F)(F)F)cc1 ZINC001473338347 1073926872 /nfs/dbraw/zinc/92/68/72/1073926872.db2.gz BRTHNXXCUWZKFU-QFBILLFUSA-N 2 2 396.453 3.771 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(OCC(F)(F)F)cc1 ZINC001473338347 1073926873 /nfs/dbraw/zinc/92/68/73/1073926873.db2.gz BRTHNXXCUWZKFU-QFBILLFUSA-N 2 2 396.453 3.771 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(F)c(F)c1 ZINC001473728061 1074111792 /nfs/dbraw/zinc/11/17/92/1074111792.db2.gz MTKFLMVCYZURIK-NZQKXSOJSA-N 2 2 388.502 3.855 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(F)c(F)c1 ZINC001473728061 1074111793 /nfs/dbraw/zinc/11/17/93/1074111793.db2.gz MTKFLMVCYZURIK-NZQKXSOJSA-N 2 2 388.502 3.855 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccc(F)c(F)c1 ZINC001473728061 1074111798 /nfs/dbraw/zinc/11/17/98/1074111798.db2.gz MTKFLMVCYZURIK-NZQKXSOJSA-N 2 2 388.502 3.855 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccc(F)c(F)c1 ZINC001473728061 1074111801 /nfs/dbraw/zinc/11/18/01/1074111801.db2.gz MTKFLMVCYZURIK-NZQKXSOJSA-N 2 2 388.502 3.855 20 0 GHADLP Cc1ccc2nc(NC(=O)C[NH2+][C@H](Cn3cc[nH+]c3)c3ccccc3)sc2c1 ZINC001473746244 1074120158 /nfs/dbraw/zinc/12/01/58/1074120158.db2.gz DKXZQDPYMOEPQY-GOSISDBHSA-N 2 2 391.500 3.771 20 0 GHADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)c1ccc(Cl)cc1 ZINC001473839871 1074168800 /nfs/dbraw/zinc/16/88/00/1074168800.db2.gz LMURGBYHEPJSNW-HXUWFJFHSA-N 2 2 394.906 3.920 20 0 GHADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)c1ccc(Cl)cc1 ZINC001473839871 1074168804 /nfs/dbraw/zinc/16/88/04/1074168804.db2.gz LMURGBYHEPJSNW-HXUWFJFHSA-N 2 2 394.906 3.920 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC001473928440 1074207143 /nfs/dbraw/zinc/20/71/43/1074207143.db2.gz NCHLPPSVDCMPFU-UHFFFAOYSA-N 2 2 379.346 3.763 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCC[N@H+](C)C(C)C ZINC001473928440 1074207148 /nfs/dbraw/zinc/20/71/48/1074207148.db2.gz NCHLPPSVDCMPFU-UHFFFAOYSA-N 2 2 379.346 3.763 20 0 GHADLP Nc1c(Cl)cc(Cl)cc1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001473927964 1074207264 /nfs/dbraw/zinc/20/72/64/1074207264.db2.gz AXOJRNJSYRHALB-UHFFFAOYSA-N 2 2 393.362 3.878 20 0 GHADLP c1cc2cc(C[NH2+]CCCCN3CC[NH+](Cc4ccccc4)CC3)ccc2[nH]1 ZINC001473939942 1074212228 /nfs/dbraw/zinc/21/22/28/1074212228.db2.gz HRMJCJHGFWWXEX-UHFFFAOYSA-N 2 2 376.548 3.856 20 0 GHADLP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001474087940 1074259540 /nfs/dbraw/zinc/25/95/40/1074259540.db2.gz QEMBZVNTGOFSDU-YADARESESA-N 2 2 380.532 3.811 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001474137060 1074273688 /nfs/dbraw/zinc/27/36/88/1074273688.db2.gz ZXAWOJDXMOPBLU-MKXGPGLRSA-N 2 2 379.589 3.732 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001474137060 1074273695 /nfs/dbraw/zinc/27/36/95/1074273695.db2.gz ZXAWOJDXMOPBLU-MKXGPGLRSA-N 2 2 379.589 3.732 20 0 GHADLP CO[C@@](C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)COCc1ccccc1 ZINC001474204678 1074292850 /nfs/dbraw/zinc/29/28/50/1074292850.db2.gz HULMZIDFYBCXCI-IBGZPJMESA-N 2 2 388.474 3.615 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+]C[C@H]2CCN2C2CCCCC2)c2c1OC(F)(F)O2 ZINC001474212138 1074295544 /nfs/dbraw/zinc/29/55/44/1074295544.db2.gz NFRDERPOTXIVPA-GOSISDBHSA-N 2 2 395.494 3.566 20 0 GHADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2sc3c(cccc3Cl)c2C)CC1 ZINC001474372011 1074368618 /nfs/dbraw/zinc/36/86/18/1074368618.db2.gz SRTIAQUOIKMVBJ-UHFFFAOYSA-N 2 2 393.984 3.849 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001474658820 1074503685 /nfs/dbraw/zinc/50/36/85/1074503685.db2.gz TURMXFVUQHYCCI-KDOFPFPSSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001474658820 1074503686 /nfs/dbraw/zinc/50/36/86/1074503686.db2.gz TURMXFVUQHYCCI-KDOFPFPSSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824545257 609147950 /nfs/dbraw/zinc/14/79/50/609147950.db2.gz BSPLJVSTSDIYTO-GJYPPUQNSA-N 2 2 394.498 3.710 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824545257 609147952 /nfs/dbraw/zinc/14/79/52/609147952.db2.gz BSPLJVSTSDIYTO-GJYPPUQNSA-N 2 2 394.498 3.710 20 0 GHADLP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]ccc4ccccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833689 720515090 /nfs/dbraw/zinc/51/50/90/720515090.db2.gz DMHNOKHIMJCWDL-RZUBCFFCSA-N 2 2 375.520 3.809 20 0 GHADLP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]ccc4ccccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833689 720515098 /nfs/dbraw/zinc/51/50/98/720515098.db2.gz DMHNOKHIMJCWDL-RZUBCFFCSA-N 2 2 375.520 3.809 20 0 GHADLP COc1ccc2c(C)cc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)[nH+]c2c1 ZINC001164789510 721417081 /nfs/dbraw/zinc/41/70/81/721417081.db2.gz URUONWAWICRCNA-HOTGVXAUSA-N 2 2 380.517 3.577 20 0 GHADLP Cc1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c2c([nH+]1)CCC2 ZINC001164795033 721498682 /nfs/dbraw/zinc/49/86/82/721498682.db2.gz BAYQGHFSOKKNOD-UHFFFAOYSA-N 2 2 377.536 3.550 20 0 GHADLP Cc1nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c2c([nH+]1)CCC2 ZINC001164795033 721498683 /nfs/dbraw/zinc/49/86/83/721498683.db2.gz BAYQGHFSOKKNOD-UHFFFAOYSA-N 2 2 377.536 3.550 20 0 GHADLP Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]c2ccccc12 ZINC001164983768 722114469 /nfs/dbraw/zinc/11/44/69/722114469.db2.gz ZZODZYJQPVZLLT-NZQKXSOJSA-N 2 2 388.515 3.666 20 0 GHADLP Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]c2ccccc12 ZINC001164983768 722114471 /nfs/dbraw/zinc/11/44/71/722114471.db2.gz ZZODZYJQPVZLLT-NZQKXSOJSA-N 2 2 388.515 3.666 20 0 GHADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c(C)c1 ZINC000414083345 837425250 /nfs/dbraw/zinc/42/52/50/837425250.db2.gz WCKIFBYVAIGOAS-IBGZPJMESA-N 2 2 384.520 3.565 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C[C@H]1C(F)(F)F ZINC000892648916 837532618 /nfs/dbraw/zinc/53/26/18/837532618.db2.gz HARUKFGIJUXRDX-ZJIFWQFVSA-N 2 2 389.462 3.798 20 0 GHADLP Fc1ccc(Oc2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cn2)cc1 ZINC000655694487 837678091 /nfs/dbraw/zinc/67/80/91/837678091.db2.gz HXNKJKLDXFGQLQ-OAQYLSRUSA-N 2 2 385.483 3.746 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccc(F)cc2)cc1 ZINC000655703420 837698625 /nfs/dbraw/zinc/69/86/25/837698625.db2.gz PWJIOVKOCJBZHG-JTHBVZDNSA-N 2 2 384.495 3.767 20 0 GHADLP CCCn1ccc2ccc(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc21 ZINC000173473162 837715272 /nfs/dbraw/zinc/71/52/72/837715272.db2.gz UFQUWPPHWLIDKG-UHFFFAOYSA-N 2 2 385.556 3.541 20 0 GHADLP CCCn1ccc2ccc(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc21 ZINC000173473162 837715277 /nfs/dbraw/zinc/71/52/77/837715277.db2.gz UFQUWPPHWLIDKG-UHFFFAOYSA-N 2 2 385.556 3.541 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000655717889 837730250 /nfs/dbraw/zinc/73/02/50/837730250.db2.gz FQOQOBQRLOOJNT-AWEZNQCLSA-N 2 2 388.313 3.566 20 0 GHADLP COc1cccc(C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000655733177 837769136 /nfs/dbraw/zinc/76/91/36/837769136.db2.gz JXYROQOZQHMKPP-ISKFKSNPSA-N 2 2 380.532 3.822 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173600384 837778624 /nfs/dbraw/zinc/77/86/24/837778624.db2.gz WEJDWGQFNBBZFS-GUDVDZBRSA-N 2 2 375.582 3.608 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173600384 837778627 /nfs/dbraw/zinc/77/86/27/837778627.db2.gz WEJDWGQFNBBZFS-GUDVDZBRSA-N 2 2 375.582 3.608 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2OCC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000090942531 834614847 /nfs/dbraw/zinc/61/48/47/834614847.db2.gz LWEAOVFZDDOMDD-APWZRJJASA-N 2 2 375.463 3.868 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2OCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000090942531 834614851 /nfs/dbraw/zinc/61/48/51/834614851.db2.gz LWEAOVFZDDOMDD-APWZRJJASA-N 2 2 375.463 3.868 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000655744068 837802606 /nfs/dbraw/zinc/80/26/06/837802606.db2.gz NXBYCANUJOHJBJ-SUMWQHHRSA-N 2 2 377.330 3.516 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000655744068 837802613 /nfs/dbraw/zinc/80/26/13/837802613.db2.gz NXBYCANUJOHJBJ-SUMWQHHRSA-N 2 2 377.330 3.516 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NCCCC[NH+]3CCC(C)CC3)cn2c1 ZINC000047017575 834929920 /nfs/dbraw/zinc/92/99/20/834929920.db2.gz QUPFTBVKIJMGPA-UHFFFAOYSA-N 2 2 388.581 3.504 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000278391403 834942150 /nfs/dbraw/zinc/94/21/50/834942150.db2.gz FWMDWLDRSCYJML-GOSISDBHSA-N 2 2 375.944 3.551 20 0 GHADLP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000278391403 834942155 /nfs/dbraw/zinc/94/21/55/834942155.db2.gz FWMDWLDRSCYJML-GOSISDBHSA-N 2 2 375.944 3.551 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000108988453 834980996 /nfs/dbraw/zinc/98/09/96/834980996.db2.gz VGJKAJVZEZEEIF-UHFFFAOYSA-N 2 2 380.467 3.783 20 0 GHADLP CN(Cc1c(Cl)cccc1OC(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457749 835022813 /nfs/dbraw/zinc/02/28/13/835022813.db2.gz LXTSDFWJXOJCGU-OAHLLOKOSA-N 2 2 387.902 3.542 20 0 GHADLP CN(Cc1c(Cl)cccc1OC(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457749 835022818 /nfs/dbraw/zinc/02/28/18/835022818.db2.gz LXTSDFWJXOJCGU-OAHLLOKOSA-N 2 2 387.902 3.542 20 0 GHADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000685459776 835035047 /nfs/dbraw/zinc/03/50/47/835035047.db2.gz NVIPDRSULRFEPJ-UHFFFAOYSA-N 2 2 395.288 3.833 20 0 GHADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000685459776 835035058 /nfs/dbraw/zinc/03/50/58/835035058.db2.gz NVIPDRSULRFEPJ-UHFFFAOYSA-N 2 2 395.288 3.833 20 0 GHADLP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000658025843 835376758 /nfs/dbraw/zinc/37/67/58/835376758.db2.gz NBAVLLXOKHOAAL-DZGCQCFKSA-N 2 2 378.866 3.726 20 0 GHADLP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000658025843 835376766 /nfs/dbraw/zinc/37/67/66/835376766.db2.gz NBAVLLXOKHOAAL-DZGCQCFKSA-N 2 2 378.866 3.726 20 0 GHADLP CS(=O)(=O)C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC000658198004 835504304 /nfs/dbraw/zinc/50/43/04/835504304.db2.gz AWWLEWJVEHRMGG-MZADTFQBSA-N 2 2 390.593 3.519 20 0 GHADLP CS(=O)(=O)C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000658198004 835504310 /nfs/dbraw/zinc/50/43/10/835504310.db2.gz AWWLEWJVEHRMGG-MZADTFQBSA-N 2 2 390.593 3.519 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)[NH+](CC)CC)cc1 ZINC000458792607 835558937 /nfs/dbraw/zinc/55/89/37/835558937.db2.gz LMNCLOQWMNWTAJ-JOCHJYFZSA-N 2 2 397.567 3.875 20 0 GHADLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@H]1n1cc[nH+]c1 ZINC000154358535 835573101 /nfs/dbraw/zinc/57/31/01/835573101.db2.gz HGHRUUNYWKYACJ-UGESXGAOSA-N 2 2 395.551 3.529 20 0 GHADLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@H]1n1cc[nH+]c1 ZINC000154358535 835573109 /nfs/dbraw/zinc/57/31/09/835573109.db2.gz HGHRUUNYWKYACJ-UGESXGAOSA-N 2 2 395.551 3.529 20 0 GHADLP FC(F)(F)CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000151640753 835672876 /nfs/dbraw/zinc/67/28/76/835672876.db2.gz OOBOFGJUKZFHHU-GOSISDBHSA-N 2 2 384.490 3.648 20 0 GHADLP FC(F)(F)CCCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000151640753 835672877 /nfs/dbraw/zinc/67/28/77/835672877.db2.gz OOBOFGJUKZFHHU-GOSISDBHSA-N 2 2 384.490 3.648 20 0 GHADLP C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000151835768 835800681 /nfs/dbraw/zinc/80/06/81/835800681.db2.gz FRBCHOFCYJWDDD-KNQAVFIVSA-N 2 2 395.551 3.662 20 0 GHADLP C[C@H](C[NH2+][C@@H](c1ccccc1Cl)c1cc(F)ccc1F)N1CC[NH+](C)CC1 ZINC000180463747 836175682 /nfs/dbraw/zinc/17/56/82/836175682.db2.gz QBYDOJSYZDSPJY-VFNWGFHPSA-N 2 2 393.909 3.933 20 0 GHADLP COc1ccc([C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)c2ccccc2Cl)cc1 ZINC000180496880 836177608 /nfs/dbraw/zinc/17/76/08/836177608.db2.gz KVRVYKDUVOSCDY-VGOFRKELSA-N 2 2 387.955 3.664 20 0 GHADLP COc1ccc(C[C@H](C)[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cn1 ZINC000414131934 836228740 /nfs/dbraw/zinc/22/87/40/836228740.db2.gz YPJXVZFWUGCOOG-RBUKOAKNSA-N 2 2 383.536 3.511 20 0 GHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)CC1 ZINC000613377529 836236606 /nfs/dbraw/zinc/23/66/06/836236606.db2.gz ISUQYQDNQDAOIC-IBGZPJMESA-N 2 2 397.588 3.710 20 0 GHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2C)CC1 ZINC000613377529 836236608 /nfs/dbraw/zinc/23/66/08/836236608.db2.gz ISUQYQDNQDAOIC-IBGZPJMESA-N 2 2 397.588 3.710 20 0 GHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCc3sccc3[C@@H]2C)CC1 ZINC000613377529 836236621 /nfs/dbraw/zinc/23/66/21/836236621.db2.gz ISUQYQDNQDAOIC-IBGZPJMESA-N 2 2 397.588 3.710 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCc3sccc3[C@@H]2C)CC1 ZINC000613377529 836236629 /nfs/dbraw/zinc/23/66/29/836236629.db2.gz ISUQYQDNQDAOIC-IBGZPJMESA-N 2 2 397.588 3.710 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](Cc2ccco2)C2CCCC2)CC1 ZINC000613469374 836460817 /nfs/dbraw/zinc/46/08/17/836460817.db2.gz AOCHUJUOTXMPSP-HXUWFJFHSA-N 2 2 395.547 3.930 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](Cc2ccco2)C2CCCC2)CC1 ZINC000613469374 836460822 /nfs/dbraw/zinc/46/08/22/836460822.db2.gz AOCHUJUOTXMPSP-HXUWFJFHSA-N 2 2 395.547 3.930 20 0 GHADLP COc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1OCc1ccncc1 ZINC000376023299 836548136 /nfs/dbraw/zinc/54/81/36/836548136.db2.gz XLDNKSCSCDGBIN-UHFFFAOYSA-N 2 2 381.520 3.776 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)[N@@H+]1CCc2ccccc2C1 ZINC000110064572 844192336 /nfs/dbraw/zinc/19/23/36/844192336.db2.gz GIVMKQZLWINKIF-SFHVURJKSA-N 2 2 395.572 3.621 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)[N@H+]1CCc2ccccc2C1 ZINC000110064572 844192341 /nfs/dbraw/zinc/19/23/41/844192341.db2.gz GIVMKQZLWINKIF-SFHVURJKSA-N 2 2 395.572 3.621 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000511379687 836786270 /nfs/dbraw/zinc/78/62/70/836786270.db2.gz PPSBEUKWWFSRFS-QMMLZNLJSA-N 2 2 379.976 3.566 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000511379687 836786276 /nfs/dbraw/zinc/78/62/76/836786276.db2.gz PPSBEUKWWFSRFS-QMMLZNLJSA-N 2 2 379.976 3.566 20 0 GHADLP C[C@@H]1CCCC[NH+]1CCCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000511379687 836786289 /nfs/dbraw/zinc/78/62/89/836786289.db2.gz PPSBEUKWWFSRFS-QMMLZNLJSA-N 2 2 379.976 3.566 20 0 GHADLP C[C@@H]1CCCC[NH+]1CCCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000511379687 836786300 /nfs/dbraw/zinc/78/63/00/836786300.db2.gz PPSBEUKWWFSRFS-QMMLZNLJSA-N 2 2 379.976 3.566 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000161108537 836915815 /nfs/dbraw/zinc/91/58/15/836915815.db2.gz WRIQSDQZINYDKJ-UHFFFAOYSA-N 2 2 386.927 3.603 20 0 GHADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000119875616 836962544 /nfs/dbraw/zinc/96/25/44/836962544.db2.gz QDMNDWMEEWZHDA-ZWKOTPCHSA-N 2 2 383.517 3.694 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)c1C ZINC000175775593 836997768 /nfs/dbraw/zinc/99/77/68/836997768.db2.gz WYQGNOOWKRETLE-UHFFFAOYSA-N 2 2 390.572 3.607 20 0 GHADLP C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000175822837 837028578 /nfs/dbraw/zinc/02/85/78/837028578.db2.gz HUAROLIBVSZVKD-IRLDBZIGSA-N 2 2 398.595 3.524 20 0 GHADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)co2)cc1 ZINC000579944714 837884344 /nfs/dbraw/zinc/88/43/44/837884344.db2.gz WKSFSBCUTVUVET-OFNKIYASSA-N 2 2 375.472 3.996 20 0 GHADLP CCSc1ccc(Cl)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000177448460 837996346 /nfs/dbraw/zinc/99/63/46/837996346.db2.gz MKIWMVZAGCNBHL-UHFFFAOYSA-N 2 2 396.000 3.740 20 0 GHADLP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OCc1cccnc1 ZINC000655855993 838076388 /nfs/dbraw/zinc/07/63/88/838076388.db2.gz KGQKHFHSWHFERM-NHCUHLMSSA-N 2 2 381.520 3.776 20 0 GHADLP COc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1OCc1cccnc1 ZINC000655855993 838076402 /nfs/dbraw/zinc/07/64/02/838076402.db2.gz KGQKHFHSWHFERM-NHCUHLMSSA-N 2 2 381.520 3.776 20 0 GHADLP FC(F)(F)Cc1noc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000535682276 844302349 /nfs/dbraw/zinc/30/23/49/844302349.db2.gz VDUQDPYZQVKRKI-UHFFFAOYSA-N 2 2 394.441 3.663 20 0 GHADLP FC(F)(F)Cc1noc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000535682276 844302362 /nfs/dbraw/zinc/30/23/62/844302362.db2.gz VDUQDPYZQVKRKI-UHFFFAOYSA-N 2 2 394.441 3.663 20 0 GHADLP C[NH2+]Cc1cccc(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000415943319 838295117 /nfs/dbraw/zinc/29/51/17/838295117.db2.gz LKDYWIMRJNSSOQ-OAQYLSRUSA-N 2 2 377.492 3.782 20 0 GHADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cc1 ZINC000548011158 838460848 /nfs/dbraw/zinc/46/08/48/838460848.db2.gz YCBBUKKFQIBSCY-DOTOQJQBSA-N 2 2 384.549 3.758 20 0 GHADLP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cc1 ZINC000548011158 838460855 /nfs/dbraw/zinc/46/08/55/838460855.db2.gz YCBBUKKFQIBSCY-DOTOQJQBSA-N 2 2 384.549 3.758 20 0 GHADLP CC(C)Oc1ccc([C@@H](CNC2CC[NH+](Cc3ccncc3)CC2)[NH+](C)C)cc1 ZINC000376825971 838774449 /nfs/dbraw/zinc/77/44/49/838774449.db2.gz MFPNYGQFWDUPIG-XMMPIXPASA-N 2 2 396.579 3.726 20 0 GHADLP O=C1[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCN1Cc1ccccc1 ZINC000580073541 838808545 /nfs/dbraw/zinc/80/85/45/838808545.db2.gz NKVVDNIEFUQIRB-PKTZIBPZSA-N 2 2 389.543 3.574 20 0 GHADLP O=C1[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCN1Cc1ccccc1 ZINC000580073541 838808555 /nfs/dbraw/zinc/80/85/55/838808555.db2.gz NKVVDNIEFUQIRB-PKTZIBPZSA-N 2 2 389.543 3.574 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)CC1 ZINC000185929286 838952056 /nfs/dbraw/zinc/95/20/56/838952056.db2.gz BNRXPDHCVJVKMB-IERDGZPVSA-N 2 2 385.939 3.552 20 0 GHADLP CN(C(=O)c1cccc2cc[nH]c21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124789904 839228281 /nfs/dbraw/zinc/22/82/81/839228281.db2.gz VNEJGKGWUCBGEU-RTWAWAEBSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1cccc2cc[nH]c21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124789904 839228294 /nfs/dbraw/zinc/22/82/94/839228294.db2.gz VNEJGKGWUCBGEU-RTWAWAEBSA-N 2 2 382.552 3.577 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1 ZINC000548091526 839490702 /nfs/dbraw/zinc/49/07/02/839490702.db2.gz BDUDPMJXCYLOHK-UHFFFAOYSA-N 2 2 395.547 3.921 20 0 GHADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1Cl ZINC000364455134 840358318 /nfs/dbraw/zinc/35/83/18/840358318.db2.gz ZYHGSLZFUUFGTN-YLJYHZDGSA-N 2 2 379.976 3.585 20 0 GHADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1Cl ZINC000364455134 840358328 /nfs/dbraw/zinc/35/83/28/840358328.db2.gz ZYHGSLZFUUFGTN-YLJYHZDGSA-N 2 2 379.976 3.585 20 0 GHADLP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660470819 840598987 /nfs/dbraw/zinc/59/89/87/840598987.db2.gz XZUHRQFNZODDGI-QHCPKHFHSA-N 2 2 393.531 3.626 20 0 GHADLP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660470819 840598991 /nfs/dbraw/zinc/59/89/91/840598991.db2.gz XZUHRQFNZODDGI-QHCPKHFHSA-N 2 2 393.531 3.626 20 0 GHADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000430554619 841054455 /nfs/dbraw/zinc/05/44/55/841054455.db2.gz GPCZHNRSXWKHAO-UGKGYDQZSA-N 2 2 385.577 3.527 20 0 GHADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000430554619 841054466 /nfs/dbraw/zinc/05/44/66/841054466.db2.gz GPCZHNRSXWKHAO-UGKGYDQZSA-N 2 2 385.577 3.527 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)C[C@@H]1c1ccccc1 ZINC000581360578 841158744 /nfs/dbraw/zinc/15/87/44/841158744.db2.gz NMOBKDLOYCCYHT-RBZQAINGSA-N 2 2 391.559 3.645 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)C[C@@H]1c1ccccc1 ZINC000581360578 841158749 /nfs/dbraw/zinc/15/87/49/841158749.db2.gz NMOBKDLOYCCYHT-RBZQAINGSA-N 2 2 391.559 3.645 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)C[C@H]1c1ccccc1 ZINC000581360579 841158950 /nfs/dbraw/zinc/15/89/50/841158950.db2.gz NMOBKDLOYCCYHT-VXNXHJTFSA-N 2 2 391.559 3.645 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)C[C@H]1c1ccccc1 ZINC000581360579 841158951 /nfs/dbraw/zinc/15/89/51/841158951.db2.gz NMOBKDLOYCCYHT-VXNXHJTFSA-N 2 2 391.559 3.645 20 0 GHADLP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000430573174 841197362 /nfs/dbraw/zinc/19/73/62/841197362.db2.gz QAFQQATVHOCGEB-UHFFFAOYSA-N 2 2 377.838 3.619 20 0 GHADLP CCC(CC)[C@@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[NH+]1CCCC1 ZINC000500220227 841675269 /nfs/dbraw/zinc/67/52/69/841675269.db2.gz NREBZTMOQPVQHM-JOCHJYFZSA-N 2 2 397.567 3.631 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000089543430 881340074 /nfs/dbraw/zinc/34/00/74/881340074.db2.gz REZHEFYTWMYXED-UZLBHIALSA-N 2 2 375.463 3.726 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000089543430 881340086 /nfs/dbraw/zinc/34/00/86/881340086.db2.gz REZHEFYTWMYXED-UZLBHIALSA-N 2 2 375.463 3.726 20 0 GHADLP COc1ccc(OC2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000643249764 842061496 /nfs/dbraw/zinc/06/14/96/842061496.db2.gz UYGBOLGYDQDFRD-UHFFFAOYSA-N 2 2 396.531 3.571 20 0 GHADLP CN1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000512052443 842342082 /nfs/dbraw/zinc/34/20/82/842342082.db2.gz MHCHFKMYDVTFQN-WMZOPIPTSA-N 2 2 382.936 3.532 20 0 GHADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1coc(-c3ccc(Br)cc3)n1)C2 ZINC000652351915 842347543 /nfs/dbraw/zinc/34/75/43/842347543.db2.gz ICLGVKGVWAMXQX-KSSFIOAISA-N 2 2 376.298 3.665 20 0 GHADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1coc(-c3ccc(Br)cc3)n1)C2 ZINC000652351915 842347553 /nfs/dbraw/zinc/34/75/53/842347553.db2.gz ICLGVKGVWAMXQX-KSSFIOAISA-N 2 2 376.298 3.665 20 0 GHADLP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)Cc1[nH]c[nH+]c1C ZINC000618174817 842446163 /nfs/dbraw/zinc/44/61/63/842446163.db2.gz PMCNYNQZKVILBO-UHFFFAOYSA-N 2 2 376.932 3.675 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCC2 ZINC000481422146 861315985 /nfs/dbraw/zinc/31/59/85/861315985.db2.gz JWDYDYDTAQXDOM-XMMPIXPASA-N 2 2 396.531 3.573 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)[NH+](CC)CC)cc1 ZINC000432441375 842512589 /nfs/dbraw/zinc/51/25/89/842512589.db2.gz KHYDOISCIHVNEE-OAQYLSRUSA-N 2 2 397.567 3.944 20 0 GHADLP Cc1ccc(-c2nn(C)cc2C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)o1 ZINC000647196031 842546388 /nfs/dbraw/zinc/54/63/88/842546388.db2.gz MMEBQCUXAZRMCO-KRWDZBQOSA-N 2 2 379.508 3.699 20 0 GHADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548337805 842679583 /nfs/dbraw/zinc/67/95/83/842679583.db2.gz FSEFGVACPCXUFA-JKSUJKDBSA-N 2 2 386.927 3.998 20 0 GHADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548337805 842679593 /nfs/dbraw/zinc/67/95/93/842679593.db2.gz FSEFGVACPCXUFA-JKSUJKDBSA-N 2 2 386.927 3.998 20 0 GHADLP COc1ccccc1-n1nccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000430778556 842975930 /nfs/dbraw/zinc/97/59/30/842975930.db2.gz SSEYQDHRODXZJB-UHFFFAOYSA-N 2 2 391.519 3.793 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244832 843199084 /nfs/dbraw/zinc/19/90/84/843199084.db2.gz PMOHAQAPYJCBSW-BGWNEDDSSA-N 2 2 383.580 3.764 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244832 843199087 /nfs/dbraw/zinc/19/90/87/843199087.db2.gz PMOHAQAPYJCBSW-BGWNEDDSSA-N 2 2 383.580 3.764 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512244832 843199093 /nfs/dbraw/zinc/19/90/93/843199093.db2.gz PMOHAQAPYJCBSW-BGWNEDDSSA-N 2 2 383.580 3.764 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512244832 843199098 /nfs/dbraw/zinc/19/90/98/843199098.db2.gz PMOHAQAPYJCBSW-BGWNEDDSSA-N 2 2 383.580 3.764 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000029810732 843199897 /nfs/dbraw/zinc/19/98/97/843199897.db2.gz VPPIYWGLSKCDDZ-WMZHIEFXSA-N 2 2 377.532 3.511 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000029810732 843199906 /nfs/dbraw/zinc/19/99/06/843199906.db2.gz VPPIYWGLSKCDDZ-WMZHIEFXSA-N 2 2 377.532 3.511 20 0 GHADLP Cc1cccc([C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(C)C)c1 ZINC000637478042 843279188 /nfs/dbraw/zinc/27/91/88/843279188.db2.gz MOBABKHAHCRGOQ-FGZHOGPDSA-N 2 2 386.584 3.502 20 0 GHADLP Cc1cccc([C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(C)C)c1 ZINC000637478042 843279196 /nfs/dbraw/zinc/27/91/96/843279196.db2.gz MOBABKHAHCRGOQ-FGZHOGPDSA-N 2 2 386.584 3.502 20 0 GHADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000625276181 861399435 /nfs/dbraw/zinc/39/94/35/861399435.db2.gz RQZHIDBHMZBNKR-UHFFFAOYSA-N 2 2 397.350 3.718 20 0 GHADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000625276181 861399452 /nfs/dbraw/zinc/39/94/52/861399452.db2.gz RQZHIDBHMZBNKR-UHFFFAOYSA-N 2 2 397.350 3.718 20 0 GHADLP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512287662 843332342 /nfs/dbraw/zinc/33/23/42/843332342.db2.gz UWFLJWAYYRTOLD-OFVILXPXSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512287662 843332354 /nfs/dbraw/zinc/33/23/54/843332354.db2.gz UWFLJWAYYRTOLD-OFVILXPXSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512287662 843332374 /nfs/dbraw/zinc/33/23/74/843332374.db2.gz UWFLJWAYYRTOLD-OFVILXPXSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512287662 843332377 /nfs/dbraw/zinc/33/23/77/843332377.db2.gz UWFLJWAYYRTOLD-OFVILXPXSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccc(-c2noc([C@@H](C)[NH+]3CCN(c4[nH+]ccc5[nH]ccc54)CC3)n2)cc1 ZINC000663382722 843383733 /nfs/dbraw/zinc/38/37/33/843383733.db2.gz DUYXRXRMXATRTD-MRXNPFEDSA-N 2 2 388.475 3.805 20 0 GHADLP CC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278870879 843402465 /nfs/dbraw/zinc/40/24/65/843402465.db2.gz LZXIMIHNTRHQNB-INIZCTEOSA-N 2 2 394.519 3.629 20 0 GHADLP CN(C(=O)Nc1cccnc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165548169 843554942 /nfs/dbraw/zinc/55/49/42/843554942.db2.gz AKHDMUZLKLYPSX-ROUUACIJSA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1cccnc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165548169 843554948 /nfs/dbraw/zinc/55/49/48/843554948.db2.gz AKHDMUZLKLYPSX-ROUUACIJSA-N 2 2 393.963 3.536 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237625423 843960702 /nfs/dbraw/zinc/96/07/02/843960702.db2.gz UVHCFYFAUHHGMB-WYADAEROSA-N 2 2 381.520 3.570 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237625423 843960704 /nfs/dbraw/zinc/96/07/04/843960704.db2.gz UVHCFYFAUHHGMB-WYADAEROSA-N 2 2 381.520 3.570 20 0 GHADLP CCc1cccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535853790 844794771 /nfs/dbraw/zinc/79/47/71/844794771.db2.gz FKCCVWATEQKOEH-GOTSBHOMSA-N 2 2 385.596 3.587 20 0 GHADLP CCc1cccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535853790 844794774 /nfs/dbraw/zinc/79/47/74/844794774.db2.gz FKCCVWATEQKOEH-GOTSBHOMSA-N 2 2 385.596 3.587 20 0 GHADLP CC(C)CC1(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000535875608 844953511 /nfs/dbraw/zinc/95/35/11/844953511.db2.gz ITORLVDLIUILGG-NHCUHLMSSA-N 2 2 392.632 3.791 20 0 GHADLP CC(C)CC1(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000535875608 844953524 /nfs/dbraw/zinc/95/35/24/844953524.db2.gz ITORLVDLIUILGG-NHCUHLMSSA-N 2 2 392.632 3.791 20 0 GHADLP C[N@H+](Cc1cccc(OCc2ccccc2Cl)c1)C1CC[NH+](CCO)CC1 ZINC000513569532 845656659 /nfs/dbraw/zinc/65/66/59/845656659.db2.gz TUMSALISGJTWNI-UHFFFAOYSA-N 2 2 388.939 3.808 20 0 GHADLP C[N@@H+](Cc1cccc(OCc2ccccc2Cl)c1)C1CC[NH+](CCO)CC1 ZINC000513569532 845656686 /nfs/dbraw/zinc/65/66/86/845656686.db2.gz TUMSALISGJTWNI-UHFFFAOYSA-N 2 2 388.939 3.808 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc3ccccc3n2)[C@@H]1c1cnn(C)c1 ZINC000434003394 845720569 /nfs/dbraw/zinc/72/05/69/845720569.db2.gz STSGPUATXCHKQU-WMZHIEFXSA-N 2 2 377.536 3.873 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc3ccccc3n2)[C@@H]1c1cnn(C)c1 ZINC000434003394 845720577 /nfs/dbraw/zinc/72/05/77/845720577.db2.gz STSGPUATXCHKQU-WMZHIEFXSA-N 2 2 377.536 3.873 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc3ccccc3n2)[C@@H]1c1cnn(C)c1 ZINC000434003394 845720587 /nfs/dbraw/zinc/72/05/87/845720587.db2.gz STSGPUATXCHKQU-WMZHIEFXSA-N 2 2 377.536 3.873 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc3ccccc3n2)[C@@H]1c1cnn(C)c1 ZINC000434003394 845720590 /nfs/dbraw/zinc/72/05/90/845720590.db2.gz STSGPUATXCHKQU-WMZHIEFXSA-N 2 2 377.536 3.873 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(OC(F)F)c2)[C@@H]1c1cnn(C)c1 ZINC000434011001 845724437 /nfs/dbraw/zinc/72/44/37/845724437.db2.gz GULDUGXEXAZNTA-FXAWDEMLSA-N 2 2 392.494 3.927 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(OC(F)F)c2)[C@@H]1c1cnn(C)c1 ZINC000434011001 845724446 /nfs/dbraw/zinc/72/44/46/845724446.db2.gz GULDUGXEXAZNTA-FXAWDEMLSA-N 2 2 392.494 3.927 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cccc(OC(F)F)c2)[C@@H]1c1cnn(C)c1 ZINC000434011001 845724451 /nfs/dbraw/zinc/72/44/51/845724451.db2.gz GULDUGXEXAZNTA-FXAWDEMLSA-N 2 2 392.494 3.927 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cccc(OC(F)F)c2)[C@@H]1c1cnn(C)c1 ZINC000434011001 845724457 /nfs/dbraw/zinc/72/44/57/845724457.db2.gz GULDUGXEXAZNTA-FXAWDEMLSA-N 2 2 392.494 3.927 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000071958863 846009110 /nfs/dbraw/zinc/00/91/10/846009110.db2.gz DUBUBHMEXZPQBY-UHFFFAOYSA-N 2 2 392.503 3.523 20 0 GHADLP OCC1([C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c2ccccc2)CCOCC1 ZINC000414545244 846472354 /nfs/dbraw/zinc/47/23/54/846472354.db2.gz WAVVCJODYINBBS-FQEVSTJZSA-N 2 2 383.517 3.554 20 0 GHADLP Cc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1Br ZINC000501028779 846563621 /nfs/dbraw/zinc/56/36/21/846563621.db2.gz JWQLSGZYPNXJTQ-DFNIBXOVSA-N 2 2 392.385 3.500 20 0 GHADLP Cc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1Br ZINC000501028779 846563623 /nfs/dbraw/zinc/56/36/23/846563623.db2.gz JWQLSGZYPNXJTQ-DFNIBXOVSA-N 2 2 392.385 3.500 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC(C)(C)c3ccc(C)cc3)CC2)CC1 ZINC000422008125 846746000 /nfs/dbraw/zinc/74/60/00/846746000.db2.gz OPXJZIVHYRXYQC-UHFFFAOYSA-N 2 2 385.596 3.681 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC(C)(C)c3ccc(C)cc3)CC2)CC1 ZINC000422008125 846746009 /nfs/dbraw/zinc/74/60/09/846746009.db2.gz OPXJZIVHYRXYQC-UHFFFAOYSA-N 2 2 385.596 3.681 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000422007654 846747027 /nfs/dbraw/zinc/74/70/27/846747027.db2.gz NZQIIKGHRVJURV-UHFFFAOYSA-N 2 2 399.623 3.935 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000422007654 846747036 /nfs/dbraw/zinc/74/70/36/846747036.db2.gz NZQIIKGHRVJURV-UHFFFAOYSA-N 2 2 399.623 3.935 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCCCc3ccc(C)cc3)CC2)CC1 ZINC000422024795 846756558 /nfs/dbraw/zinc/75/65/58/846756558.db2.gz REPIDCNFCHTLBU-UHFFFAOYSA-N 2 2 385.596 3.726 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCCCc3ccc(C)cc3)CC2)CC1 ZINC000422024795 846756564 /nfs/dbraw/zinc/75/65/64/846756564.db2.gz REPIDCNFCHTLBU-UHFFFAOYSA-N 2 2 385.596 3.726 20 0 GHADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000503061940 846757403 /nfs/dbraw/zinc/75/74/03/846757403.db2.gz HQHJUJBZLCGLGB-XQBPLPMBSA-N 2 2 382.552 3.842 20 0 GHADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000503061940 846757411 /nfs/dbraw/zinc/75/74/11/846757411.db2.gz HQHJUJBZLCGLGB-XQBPLPMBSA-N 2 2 382.552 3.842 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@H]3C[C@@H](C)c4c3cccc4C)CC2)CC1 ZINC000422027832 846758416 /nfs/dbraw/zinc/75/84/16/846758416.db2.gz XCDAMJYFHOBYSH-RTWAWAEBSA-N 2 2 397.607 3.995 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@H]3C[C@@H](C)c4c3cccc4C)CC2)CC1 ZINC000422027832 846758425 /nfs/dbraw/zinc/75/84/25/846758425.db2.gz XCDAMJYFHOBYSH-RTWAWAEBSA-N 2 2 397.607 3.995 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)Cc3cccc(Cl)c3)CC2)CC1 ZINC000422027837 846759162 /nfs/dbraw/zinc/75/91/62/846759162.db2.gz XCOOLNTWNCEKPD-GOSISDBHSA-N 2 2 391.987 3.537 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)Cc3cccc(Cl)c3)CC2)CC1 ZINC000422027837 846759171 /nfs/dbraw/zinc/75/91/71/846759171.db2.gz XCOOLNTWNCEKPD-GOSISDBHSA-N 2 2 391.987 3.537 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000503065580 846763292 /nfs/dbraw/zinc/76/32/92/846763292.db2.gz WSZIAJMUXHKCJV-FRGLQRNOSA-N 2 2 398.526 3.953 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000503065580 846763300 /nfs/dbraw/zinc/76/33/00/846763300.db2.gz WSZIAJMUXHKCJV-FRGLQRNOSA-N 2 2 398.526 3.953 20 0 GHADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503073890 846776639 /nfs/dbraw/zinc/77/66/39/846776639.db2.gz ITMJJMXMEGXWRU-XQBPLPMBSA-N 2 2 380.536 3.593 20 0 GHADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503073890 846776644 /nfs/dbraw/zinc/77/66/44/846776644.db2.gz ITMJJMXMEGXWRU-XQBPLPMBSA-N 2 2 380.536 3.593 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc2c(c1)CCCC2 ZINC000503076901 846779265 /nfs/dbraw/zinc/77/92/65/846779265.db2.gz WGRWEYXMAOFAGD-GKAYAJSDSA-N 2 2 394.563 3.911 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc2c(c1)CCCC2 ZINC000503076901 846779271 /nfs/dbraw/zinc/77/92/71/846779271.db2.gz WGRWEYXMAOFAGD-GKAYAJSDSA-N 2 2 394.563 3.911 20 0 GHADLP CCCOc1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c(OC(F)F)c1 ZINC000657397101 846919173 /nfs/dbraw/zinc/91/91/73/846919173.db2.gz OEZXTQSLBAKAKI-UHFFFAOYSA-N 2 2 388.418 3.947 20 0 GHADLP COc1ccccc1-n1nccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000430040237 846947325 /nfs/dbraw/zinc/94/73/25/846947325.db2.gz OYDMNRSYVGEKPQ-UHFFFAOYSA-N 2 2 391.450 3.804 20 0 GHADLP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1c(Cl)cccc1C(F)(F)F ZINC000420343834 847121898 /nfs/dbraw/zinc/12/18/98/847121898.db2.gz RNZCLWVNDLEVNH-HNNXBMFYSA-N 2 2 389.849 3.761 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3ccc(C4CCC4)cc3)CC2)CC1 ZINC000422208409 847459483 /nfs/dbraw/zinc/45/94/83/847459483.db2.gz RIIRMNISFRROGV-UHFFFAOYSA-N 2 2 398.595 3.656 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3ccc(C4CCC4)cc3)CC2)CC1 ZINC000422208409 847459491 /nfs/dbraw/zinc/45/94/91/847459491.db2.gz RIIRMNISFRROGV-UHFFFAOYSA-N 2 2 398.595 3.656 20 0 GHADLP Cc1cc(CNC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc(C)[nH+]1 ZINC000422196730 847462467 /nfs/dbraw/zinc/46/24/67/847462467.db2.gz FCHLZPIGZLRYSE-NRFANRHFSA-N 2 2 384.524 3.588 20 0 GHADLP c1csc(C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]2CCCO2)c1 ZINC000420901395 847520844 /nfs/dbraw/zinc/52/08/44/847520844.db2.gz KZNSQMIRXRUUAL-OAQYLSRUSA-N 2 2 386.561 3.762 20 0 GHADLP c1csc(C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]2CCCO2)c1 ZINC000420901395 847520855 /nfs/dbraw/zinc/52/08/55/847520855.db2.gz KZNSQMIRXRUUAL-OAQYLSRUSA-N 2 2 386.561 3.762 20 0 GHADLP CC(C)OC(=O)C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000420950502 847572442 /nfs/dbraw/zinc/57/24/42/847572442.db2.gz RGDORJYJTHYLNI-QHCPKHFHSA-N 2 2 396.531 3.691 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3c(F)cccc3Br)CC2)CC1 ZINC000420984712 847591764 /nfs/dbraw/zinc/59/17/64/847591764.db2.gz ULNHLWDCALRRSK-UHFFFAOYSA-N 2 2 398.364 3.580 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3c(F)cccc3Br)CC2)CC1 ZINC000420984712 847591767 /nfs/dbraw/zinc/59/17/67/847591767.db2.gz ULNHLWDCALRRSK-UHFFFAOYSA-N 2 2 398.364 3.580 20 0 GHADLP OCC1([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2cccs2)CCC1 ZINC000420972650 847599855 /nfs/dbraw/zinc/59/98/55/847599855.db2.gz MFIZBDSAXCBLBN-NRFANRHFSA-N 2 2 386.561 3.574 20 0 GHADLP O=C1[C@@H]([N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCN1c1cccc(F)c1 ZINC000503441944 847707992 /nfs/dbraw/zinc/70/79/92/847707992.db2.gz PGORQKCDMUTVRY-UTKZUKDTSA-N 2 2 396.510 3.734 20 0 GHADLP O=C1[C@@H]([N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCN1c1cccc(F)c1 ZINC000503441944 847707998 /nfs/dbraw/zinc/70/79/98/847707998.db2.gz PGORQKCDMUTVRY-UTKZUKDTSA-N 2 2 396.510 3.734 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC(N4CCc5ccccc54)CC3)sc2C1 ZINC000502346031 847781047 /nfs/dbraw/zinc/78/10/47/847781047.db2.gz NDIJTKJOPHAHFF-UHFFFAOYSA-N 2 2 396.604 3.937 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC(N4CCc5ccccc54)CC3)sc2C1 ZINC000502346031 847781051 /nfs/dbraw/zinc/78/10/51/847781051.db2.gz NDIJTKJOPHAHFF-UHFFFAOYSA-N 2 2 396.604 3.937 20 0 GHADLP CC[C@H]1C[C@@H](C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC000503582300 847803137 /nfs/dbraw/zinc/80/31/37/847803137.db2.gz YHKKRNYPJXDULC-RXVVDRJESA-N 2 2 379.976 3.647 20 0 GHADLP C[C@@H](c1cccc(NCc2ccc(C[NH+]3CCOCC3)cc2)c1)[NH+]1CCOCC1 ZINC000421198190 847860910 /nfs/dbraw/zinc/86/09/10/847860910.db2.gz BXXVGNXWZOFHRR-FQEVSTJZSA-N 2 2 395.547 3.524 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422877778 847865478 /nfs/dbraw/zinc/86/54/78/847865478.db2.gz IKFRIMUPMXTJKT-AVRDEDQJSA-N 2 2 381.520 3.714 20 0 GHADLP Cc1c(F)cccc1NC(=O)CC[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000582720235 848133220 /nfs/dbraw/zinc/13/32/20/848133220.db2.gz HDFOGDCXAVRKHW-UHFFFAOYSA-N 2 2 380.467 3.540 20 0 GHADLP CC(C)(C)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000097573559 848469512 /nfs/dbraw/zinc/46/95/12/848469512.db2.gz JZVACYNIPQBBAH-HXUWFJFHSA-N 2 2 387.568 3.606 20 0 GHADLP CC(C)(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000097573559 848469514 /nfs/dbraw/zinc/46/95/14/848469514.db2.gz JZVACYNIPQBBAH-HXUWFJFHSA-N 2 2 387.568 3.606 20 0 GHADLP CCC(CC)[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000604178028 861935526 /nfs/dbraw/zinc/93/55/26/861935526.db2.gz DIEBPUOKZUOTLU-PXNSSMCTSA-N 2 2 392.613 3.693 20 0 GHADLP CCC(CC)[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000604178028 861935540 /nfs/dbraw/zinc/93/55/40/861935540.db2.gz DIEBPUOKZUOTLU-PXNSSMCTSA-N 2 2 392.613 3.693 20 0 GHADLP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000604201862 861940532 /nfs/dbraw/zinc/94/05/32/861940532.db2.gz LZDVKEHIUKTVHT-FQEVSTJZSA-N 2 2 381.524 3.526 20 0 GHADLP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000604206862 861946985 /nfs/dbraw/zinc/94/69/85/861946985.db2.gz WWCYFQDTMYKBJA-VQTJNVASSA-N 2 2 381.524 3.526 20 0 GHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(OCc2nccn2C)cc1 ZINC000162856817 849584597 /nfs/dbraw/zinc/58/45/97/849584597.db2.gz SLMNSGYBQSSPLX-GOSISDBHSA-N 2 2 379.508 3.937 20 0 GHADLP CSc1cc(Br)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750126 849603764 /nfs/dbraw/zinc/60/37/64/849603764.db2.gz AQUDFIOCOHKDRY-MRXNPFEDSA-N 2 2 385.371 3.514 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423124604 849749405 /nfs/dbraw/zinc/74/94/05/849749405.db2.gz OUKAALFKQWPWSR-UVBSCNOISA-N 2 2 392.341 3.664 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000423130612 849753002 /nfs/dbraw/zinc/75/30/02/849753002.db2.gz MYGVAIJKMRKDAP-WTNAPCKOSA-N 2 2 388.939 3.955 20 0 GHADLP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000423251843 849831165 /nfs/dbraw/zinc/83/11/65/849831165.db2.gz WQAVZCUYUWNGGN-GOTSBHOMSA-N 2 2 393.535 3.831 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccccc3OC)C2)cc1)C(C)C ZINC000505550224 849848399 /nfs/dbraw/zinc/84/83/99/849848399.db2.gz MRONVJZEKQKFKK-QFIPXVFZSA-N 2 2 395.547 3.712 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccccc3OC)C2)cc1)C(C)C ZINC000505550224 849848405 /nfs/dbraw/zinc/84/84/05/849848405.db2.gz MRONVJZEKQKFKK-QFIPXVFZSA-N 2 2 395.547 3.712 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)cc1 ZINC000423320620 849855680 /nfs/dbraw/zinc/85/56/80/849855680.db2.gz DOFRRHGWSMEGRG-PDIWNELESA-N 2 2 384.520 3.517 20 0 GHADLP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000486822700 850143411 /nfs/dbraw/zinc/14/34/11/850143411.db2.gz OLFPBVJRSGQSPD-VQTJNVASSA-N 2 2 389.902 3.716 20 0 GHADLP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000486822700 850143418 /nfs/dbraw/zinc/14/34/18/850143418.db2.gz OLFPBVJRSGQSPD-VQTJNVASSA-N 2 2 389.902 3.716 20 0 GHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2nccn2Cc2ccccc2)cc1 ZINC000415001705 850144349 /nfs/dbraw/zinc/14/43/49/850144349.db2.gz LFIFDJXXCIUYOP-IRLDBZIGSA-N 2 2 378.495 3.553 20 0 GHADLP COc1cc(C[C@@H](C)[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)ccn1 ZINC000638640235 850326851 /nfs/dbraw/zinc/32/68/51/850326851.db2.gz QJEULOKTVKFUJC-MOPGFXCFSA-N 2 2 383.536 3.511 20 0 GHADLP CCC(CC)(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(=O)OC(C)(C)C ZINC000424316674 850357167 /nfs/dbraw/zinc/35/71/67/850357167.db2.gz DENJTMQYGKJVEC-UHFFFAOYSA-N 2 2 375.557 3.784 20 0 GHADLP COc1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1OC(F)F ZINC000435394538 850461396 /nfs/dbraw/zinc/46/13/96/850461396.db2.gz NUOCBWXAELJWHU-SFHVURJKSA-N 2 2 391.462 3.836 20 0 GHADLP COc1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1OC(F)F ZINC000435394538 850461399 /nfs/dbraw/zinc/46/13/99/850461399.db2.gz NUOCBWXAELJWHU-SFHVURJKSA-N 2 2 391.462 3.836 20 0 GHADLP Cc1ncsc1C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC000435420028 850498686 /nfs/dbraw/zinc/49/86/86/850498686.db2.gz AMFYJHRQLSTZRC-HNNXBMFYSA-N 2 2 385.455 3.962 20 0 GHADLP Cc1ncsc1C[N@H+](Cc1cccc(OC(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC000435420028 850498693 /nfs/dbraw/zinc/49/86/93/850498693.db2.gz AMFYJHRQLSTZRC-HNNXBMFYSA-N 2 2 385.455 3.962 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1cc(C)c(OC)c(C)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435437874 850524694 /nfs/dbraw/zinc/52/46/94/850524694.db2.gz LYWOLPBUBDRTRO-FQEVSTJZSA-N 2 2 382.552 3.673 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1cc(C)c(OC)c(C)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435437874 850524703 /nfs/dbraw/zinc/52/47/03/850524703.db2.gz LYWOLPBUBDRTRO-FQEVSTJZSA-N 2 2 382.552 3.673 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H](CC(F)(F)F)O1 ZINC000668768449 850621486 /nfs/dbraw/zinc/62/14/86/850621486.db2.gz PNLZDPWSFLQWIA-VQIMIIECSA-N 2 2 399.501 3.759 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H](CC(F)(F)F)O1 ZINC000668768449 850621493 /nfs/dbraw/zinc/62/14/93/850621493.db2.gz PNLZDPWSFLQWIA-VQIMIIECSA-N 2 2 399.501 3.759 20 0 GHADLP CC(C)[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)CC1 ZINC000180458652 862148953 /nfs/dbraw/zinc/14/89/53/862148953.db2.gz ZBUUBQGZEUVDDD-QHCPKHFHSA-N 2 2 379.548 3.723 20 0 GHADLP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3c(Br)cnn3C)c2)CC1 ZINC000487281164 850627152 /nfs/dbraw/zinc/62/71/52/850627152.db2.gz SSCLFCNUEILEFH-UHFFFAOYSA-N 2 2 391.357 3.704 20 0 GHADLP c1ccc(CCCOc2cccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)c2)cc1 ZINC000732229279 862162225 /nfs/dbraw/zinc/16/22/25/862162225.db2.gz NREFPAHTGLTJGA-ISKFKSNPSA-N 2 2 380.532 3.651 20 0 GHADLP c1ccc(CCCOc2cccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)c2)cc1 ZINC000732229279 862162240 /nfs/dbraw/zinc/16/22/40/862162240.db2.gz NREFPAHTGLTJGA-ISKFKSNPSA-N 2 2 380.532 3.651 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@@H](c4ccnn4C)C3)CC2)c1 ZINC000515204571 850783567 /nfs/dbraw/zinc/78/35/67/850783567.db2.gz UYMDUDRHEBRBPH-YADHBBJMSA-N 2 2 395.595 3.557 20 0 GHADLP CC(C)[NH+](CCn1c(SCc2c[nH+]cn2C)nc2ccccc2c1=O)C(C)C ZINC000481743317 862171921 /nfs/dbraw/zinc/17/19/21/862171921.db2.gz MOWUTZMSPCJJQA-UHFFFAOYSA-N 2 2 399.564 3.541 20 0 GHADLP COC(=O)[C@@H](CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000425444813 851097010 /nfs/dbraw/zinc/09/70/10/851097010.db2.gz OEFHEADMBXHQHP-FPOVZHCZSA-N 2 2 381.520 3.746 20 0 GHADLP COC(=O)[C@@H](CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000425444813 851097020 /nfs/dbraw/zinc/09/70/20/851097020.db2.gz OEFHEADMBXHQHP-FPOVZHCZSA-N 2 2 381.520 3.746 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000513989144 851112808 /nfs/dbraw/zinc/11/28/08/851112808.db2.gz HVMUNXOXRUDPJZ-OAQYLSRUSA-N 2 2 385.939 3.969 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(I)c(Cl)c2)CC[N@@H+]1C ZINC000436154184 851265748 /nfs/dbraw/zinc/26/57/48/851265748.db2.gz QNFWCGBAJGZCOT-WCQYABFASA-N 2 2 392.712 3.859 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(I)c(Cl)c2)CC[N@H+]1C ZINC000436154184 851265752 /nfs/dbraw/zinc/26/57/52/851265752.db2.gz QNFWCGBAJGZCOT-WCQYABFASA-N 2 2 392.712 3.859 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(I)c(Cl)c2)CC[NH+]1C ZINC000436154184 851265755 /nfs/dbraw/zinc/26/57/55/851265755.db2.gz QNFWCGBAJGZCOT-WCQYABFASA-N 2 2 392.712 3.859 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(I)c(Cl)c2)CC[NH+]1C ZINC000436154184 851265758 /nfs/dbraw/zinc/26/57/58/851265758.db2.gz QNFWCGBAJGZCOT-WCQYABFASA-N 2 2 392.712 3.859 20 0 GHADLP CCOc1cc2[nH+]ccc(NC3CCN(c4cccc[nH+]4)CC3)c2cc1OCC ZINC000488349651 851416847 /nfs/dbraw/zinc/41/68/47/851416847.db2.gz RCHODIQREAPLFS-UHFFFAOYSA-N 2 2 392.503 3.930 20 0 GHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688692 851479089 /nfs/dbraw/zinc/47/90/89/851479089.db2.gz OTOIBNPJXXOKIS-QGZVFWFLSA-N 2 2 398.526 3.758 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000425150100 851500454 /nfs/dbraw/zinc/50/04/54/851500454.db2.gz SZQVOGWXNVTUIL-JOCHJYFZSA-N 2 2 388.515 3.844 20 0 GHADLP CC[C@@H](C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[N@H+](C)Cc1ccccc1 ZINC000550161672 851768519 /nfs/dbraw/zinc/76/85/19/851768519.db2.gz SDOQTQUXJXBITM-AVRDEDQJSA-N 2 2 376.504 3.960 20 0 GHADLP CC[C@@H](C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[N@@H+](C)Cc1ccccc1 ZINC000550161672 851768526 /nfs/dbraw/zinc/76/85/26/851768526.db2.gz SDOQTQUXJXBITM-AVRDEDQJSA-N 2 2 376.504 3.960 20 0 GHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000604599980 862301555 /nfs/dbraw/zinc/30/15/55/862301555.db2.gz XWINQZKKDNBLBG-QFIPXVFZSA-N 2 2 389.503 3.509 20 0 GHADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000436469100 851954693 /nfs/dbraw/zinc/95/46/93/851954693.db2.gz ZBFJVYHVLSAINA-DSNGMDLFSA-N 2 2 394.559 3.960 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550237972 852074653 /nfs/dbraw/zinc/07/46/53/852074653.db2.gz JOJIQUPCQJKNLT-XLNZFTOWSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550237972 852074663 /nfs/dbraw/zinc/07/46/63/852074663.db2.gz JOJIQUPCQJKNLT-XLNZFTOWSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000550237972 852074675 /nfs/dbraw/zinc/07/46/75/852074675.db2.gz JOJIQUPCQJKNLT-XLNZFTOWSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000550237972 852074686 /nfs/dbraw/zinc/07/46/86/852074686.db2.gz JOJIQUPCQJKNLT-XLNZFTOWSA-N 2 2 379.548 3.823 20 0 GHADLP Cc1cc(C(=O)[C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C)n1Cc1ccco1 ZINC000438455696 852420889 /nfs/dbraw/zinc/42/08/89/852420889.db2.gz OEKRMIPJMKYYPO-KRWDZBQOSA-N 2 2 380.492 3.920 20 0 GHADLP C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[N@@H+]1CCCC[C@H]1C ZINC000426030546 852453560 /nfs/dbraw/zinc/45/35/60/852453560.db2.gz UQJMYXQJNRVJFC-RPHTVSPISA-N 2 2 395.551 3.674 20 0 GHADLP C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[N@H+]1CCCC[C@H]1C ZINC000426030546 852453569 /nfs/dbraw/zinc/45/35/69/852453569.db2.gz UQJMYXQJNRVJFC-RPHTVSPISA-N 2 2 395.551 3.674 20 0 GHADLP CC(C)[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1Cl ZINC000604656229 862372965 /nfs/dbraw/zinc/37/29/65/862372965.db2.gz IKKYBKNUPCKBBP-JXFKEZNVSA-N 2 2 392.975 3.505 20 0 GHADLP CC(C)[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1Cl ZINC000604656229 862372948 /nfs/dbraw/zinc/37/29/48/862372948.db2.gz IKKYBKNUPCKBBP-JXFKEZNVSA-N 2 2 392.975 3.505 20 0 GHADLP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000425676459 852597126 /nfs/dbraw/zinc/59/71/26/852597126.db2.gz SHAKRDTUVZPPLJ-OXJNMPFZSA-N 2 2 381.524 3.737 20 0 GHADLP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000425676459 852597129 /nfs/dbraw/zinc/59/71/29/852597129.db2.gz SHAKRDTUVZPPLJ-OXJNMPFZSA-N 2 2 381.524 3.737 20 0 GHADLP C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000414896275 852650212 /nfs/dbraw/zinc/65/02/12/852650212.db2.gz BFTWUBKQTBTIHM-KZNAEPCWSA-N 2 2 396.535 3.637 20 0 GHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000427089576 852716688 /nfs/dbraw/zinc/71/66/88/852716688.db2.gz ZVXNNWZRQLRRQN-ZCNNSNEGSA-N 2 2 393.934 3.746 20 0 GHADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000427089576 852716690 /nfs/dbraw/zinc/71/66/90/852716690.db2.gz ZVXNNWZRQLRRQN-ZCNNSNEGSA-N 2 2 393.934 3.746 20 0 GHADLP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000427089576 852716694 /nfs/dbraw/zinc/71/66/94/852716694.db2.gz ZVXNNWZRQLRRQN-ZCNNSNEGSA-N 2 2 393.934 3.746 20 0 GHADLP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000427089576 852716696 /nfs/dbraw/zinc/71/66/96/852716696.db2.gz ZVXNNWZRQLRRQN-ZCNNSNEGSA-N 2 2 393.934 3.746 20 0 GHADLP COc1ccc(CC[C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1O ZINC000426168471 852898511 /nfs/dbraw/zinc/89/85/11/852898511.db2.gz ZFPDBAMODCKGNM-KRWDZBQOSA-N 2 2 398.551 3.759 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)N3CCc4ccccc43)C2)s1 ZINC000516996999 853243178 /nfs/dbraw/zinc/24/31/78/853243178.db2.gz ZKPWXRUDAMJBKV-RBUKOAKNSA-N 2 2 397.588 3.788 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)N3CCc4ccccc43)C2)s1 ZINC000516996999 853243188 /nfs/dbraw/zinc/24/31/88/853243188.db2.gz ZKPWXRUDAMJBKV-RBUKOAKNSA-N 2 2 397.588 3.788 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N3CCc4ccccc43)C2)s1 ZINC000516996999 853243192 /nfs/dbraw/zinc/24/31/92/853243192.db2.gz ZKPWXRUDAMJBKV-RBUKOAKNSA-N 2 2 397.588 3.788 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N3CCc4ccccc43)C2)s1 ZINC000516996999 853243198 /nfs/dbraw/zinc/24/31/98/853243198.db2.gz ZKPWXRUDAMJBKV-RBUKOAKNSA-N 2 2 397.588 3.788 20 0 GHADLP Cc1cccn2cc(CC(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)[nH+]c12 ZINC000586753682 853523268 /nfs/dbraw/zinc/52/32/68/853523268.db2.gz WCPOBRBBLBSYQD-UHFFFAOYSA-N 2 2 376.504 3.852 20 0 GHADLP O=C(Nc1ccccc1)C1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000517235402 853543820 /nfs/dbraw/zinc/54/38/20/853543820.db2.gz KIHOTZNGWIRYLJ-OAQYLSRUSA-N 2 2 375.516 3.945 20 0 GHADLP O=C(Nc1ccccc1)C1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000517235402 853543825 /nfs/dbraw/zinc/54/38/25/853543825.db2.gz KIHOTZNGWIRYLJ-OAQYLSRUSA-N 2 2 375.516 3.945 20 0 GHADLP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccc(NC(C)=O)cc3)CC1)CC2 ZINC000519864980 853564550 /nfs/dbraw/zinc/56/45/50/853564550.db2.gz INXRIJBHDSDLKT-XMMPIXPASA-N 2 2 393.531 3.895 20 0 GHADLP O=C1N(Cc2cccc(F)c2)CC[C@@]12CCC[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168377424 853625403 /nfs/dbraw/zinc/62/54/03/853625403.db2.gz GYOFDYWMTRGUGV-XMMPIXPASA-N 2 2 399.554 3.515 20 0 GHADLP O=C1N(Cc2cccc(F)c2)CC[C@@]12CCC[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168377424 853625410 /nfs/dbraw/zinc/62/54/10/853625410.db2.gz GYOFDYWMTRGUGV-XMMPIXPASA-N 2 2 399.554 3.515 20 0 GHADLP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000571080102 853735056 /nfs/dbraw/zinc/73/50/56/853735056.db2.gz NSAFDLOWKFGPPK-LIRRHRJNSA-N 2 2 389.902 3.893 20 0 GHADLP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000571080102 853735063 /nfs/dbraw/zinc/73/50/63/853735063.db2.gz NSAFDLOWKFGPPK-LIRRHRJNSA-N 2 2 389.902 3.893 20 0 GHADLP C[C@H](OC[C@@H](O)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000571633766 853969640 /nfs/dbraw/zinc/96/96/40/853969640.db2.gz CGXALFFHORWGKY-JTSKRJEESA-N 2 2 399.922 3.813 20 0 GHADLP COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441383013 854144361 /nfs/dbraw/zinc/14/43/61/854144361.db2.gz OTGOXLFYTONNOS-GCJKJVERSA-N 2 2 392.503 3.867 20 0 GHADLP O=C([C@H](c1ccccc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCCCC1 ZINC000441397699 854179864 /nfs/dbraw/zinc/17/98/64/854179864.db2.gz FPTHFPRCLXSYCI-WWNPGLIZSA-N 2 2 381.564 3.689 20 0 GHADLP O=C([C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCCCC1 ZINC000441397699 854179868 /nfs/dbraw/zinc/17/98/68/854179868.db2.gz FPTHFPRCLXSYCI-WWNPGLIZSA-N 2 2 381.564 3.689 20 0 GHADLP O=C([C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCCCC1 ZINC000441397699 854179870 /nfs/dbraw/zinc/17/98/70/854179870.db2.gz FPTHFPRCLXSYCI-WWNPGLIZSA-N 2 2 381.564 3.689 20 0 GHADLP O=C([C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCCCC1 ZINC000441397699 854179874 /nfs/dbraw/zinc/17/98/74/854179874.db2.gz FPTHFPRCLXSYCI-WWNPGLIZSA-N 2 2 381.564 3.689 20 0 GHADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc4ccccc4n3C(F)F)CC2)C[C@@H](C)O1 ZINC000588709723 854369453 /nfs/dbraw/zinc/36/94/53/854369453.db2.gz CXPZNNMYQKDYNE-HZPDHXFCSA-N 2 2 392.494 3.753 20 0 GHADLP CC1CC[NH+](C2CCC(NC(=O)NCc3ccccc3-n3cc[nH+]c3)CC2)CC1 ZINC000123450224 854406057 /nfs/dbraw/zinc/40/60/57/854406057.db2.gz WPPOVCXPYAYFQY-UHFFFAOYSA-N 2 2 395.551 3.715 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncnc4sc(-c5ccccc5)cc43)C2)CC1 ZINC000732920945 862590809 /nfs/dbraw/zinc/59/08/09/862590809.db2.gz OZURUNYHASMDRS-QGZVFWFLSA-N 2 2 393.560 3.939 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncnc4sc(-c5ccccc5)cc43)C2)CC1 ZINC000732920945 862590818 /nfs/dbraw/zinc/59/08/18/862590818.db2.gz OZURUNYHASMDRS-QGZVFWFLSA-N 2 2 393.560 3.939 20 0 GHADLP CC(C)[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000073540367 854735920 /nfs/dbraw/zinc/73/59/20/854735920.db2.gz MDBYIBVTVHFWIM-OAQYLSRUSA-N 2 2 386.584 3.633 20 0 GHADLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000156984971 854863601 /nfs/dbraw/zinc/86/36/01/854863601.db2.gz FZBUQEAHYASJHK-LJQANCHMSA-N 2 2 398.463 3.990 20 0 GHADLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000156984971 854863607 /nfs/dbraw/zinc/86/36/07/854863607.db2.gz FZBUQEAHYASJHK-LJQANCHMSA-N 2 2 398.463 3.990 20 0 GHADLP C[NH+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000156984971 854863610 /nfs/dbraw/zinc/86/36/10/854863610.db2.gz FZBUQEAHYASJHK-LJQANCHMSA-N 2 2 398.463 3.990 20 0 GHADLP C[NH+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000156984971 854863613 /nfs/dbraw/zinc/86/36/13/854863613.db2.gz FZBUQEAHYASJHK-LJQANCHMSA-N 2 2 398.463 3.990 20 0 GHADLP C[C@H](OC[C@H](O)C[NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000572714555 854947560 /nfs/dbraw/zinc/94/75/60/854947560.db2.gz PLTGOIMKDZJWCJ-OXJNMPFZSA-N 2 2 385.895 3.754 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)c(C)c1 ZINC000441507486 855534929 /nfs/dbraw/zinc/53/49/29/855534929.db2.gz VVLZQVPELBOLAH-FGZHOGPDSA-N 2 2 397.567 3.661 20 0 GHADLP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c2ccccc2)CC1 ZINC000520502923 855545746 /nfs/dbraw/zinc/54/57/46/855545746.db2.gz RHOBYUZJQKJGFO-RBUKOAKNSA-N 2 2 389.465 3.670 20 0 GHADLP COc1ccc(C[C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1OC ZINC000765849228 855621256 /nfs/dbraw/zinc/62/12/56/855621256.db2.gz UFAPGLKSFLNDME-GOSISDBHSA-N 2 2 397.563 3.959 20 0 GHADLP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)c2)CC1 ZINC000590871191 855637483 /nfs/dbraw/zinc/63/74/83/855637483.db2.gz UIFZOAQTVGACDI-QFIPXVFZSA-N 2 2 395.551 3.662 20 0 GHADLP Cc1ccc2c(c1)[C@@H](NC(=O)NCC1([NH+]3CCCCC3)CC[NH+](C)CC1)CCC2 ZINC000498383724 855662393 /nfs/dbraw/zinc/66/23/93/855662393.db2.gz CAEPCUFIMAOSRR-QFIPXVFZSA-N 2 2 398.595 3.622 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591082610 855751238 /nfs/dbraw/zinc/75/12/38/855751238.db2.gz RUEYDYLAIZEQEZ-UNMCSNQZSA-N 2 2 390.487 3.909 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591082610 855751246 /nfs/dbraw/zinc/75/12/46/855751246.db2.gz RUEYDYLAIZEQEZ-UNMCSNQZSA-N 2 2 390.487 3.909 20 0 GHADLP C[N@H+](Cc1ccccc1CNC(=O)NCCCn1cc[nH+]c1)C1CCCCC1 ZINC000057286634 855847009 /nfs/dbraw/zinc/84/70/09/855847009.db2.gz VUBGDGCDUXWDFA-UHFFFAOYSA-N 2 2 383.540 3.537 20 0 GHADLP C[N@@H+](Cc1ccccc1CNC(=O)NCCCn1cc[nH+]c1)C1CCCCC1 ZINC000057286634 855847014 /nfs/dbraw/zinc/84/70/14/855847014.db2.gz VUBGDGCDUXWDFA-UHFFFAOYSA-N 2 2 383.540 3.537 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000181115787 862758921 /nfs/dbraw/zinc/75/89/21/862758921.db2.gz UXPVDTSKENRGBG-QFIPXVFZSA-N 2 2 396.922 3.764 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000181115787 862758933 /nfs/dbraw/zinc/75/89/33/862758933.db2.gz UXPVDTSKENRGBG-QFIPXVFZSA-N 2 2 396.922 3.764 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)ccn12 ZINC000573385030 856134177 /nfs/dbraw/zinc/13/41/77/856134177.db2.gz MWVSMNLVGPPWMA-DYESRHJHSA-N 2 2 376.504 3.768 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)ccn12 ZINC000573385030 856134181 /nfs/dbraw/zinc/13/41/81/856134181.db2.gz MWVSMNLVGPPWMA-DYESRHJHSA-N 2 2 376.504 3.768 20 0 GHADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000171835370 856280905 /nfs/dbraw/zinc/28/09/05/856280905.db2.gz KLIQHHPPHNKZCJ-LJQANCHMSA-N 2 2 397.567 3.631 20 0 GHADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000171835370 856280915 /nfs/dbraw/zinc/28/09/15/856280915.db2.gz KLIQHHPPHNKZCJ-LJQANCHMSA-N 2 2 397.567 3.631 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000605093903 862780801 /nfs/dbraw/zinc/78/08/01/862780801.db2.gz HKRNOUOTNQGMJE-UHFFFAOYSA-N 2 2 376.504 3.857 20 0 GHADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000520763722 856375275 /nfs/dbraw/zinc/37/52/75/856375275.db2.gz VEBLXNYNOMZUEW-ZVXXOIICSA-N 2 2 379.508 3.524 20 0 GHADLP Cc1ccc(-c2ccc(C[NH2+]CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)s2)cc1 ZINC000508048072 856852215 /nfs/dbraw/zinc/85/22/15/856852215.db2.gz YUPYPIGSQLDSJY-FQEVSTJZSA-N 2 2 385.577 3.756 20 0 GHADLP Cc1ccc(-c2ccc(C[NH2+]CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)s2)cc1 ZINC000508048072 856852222 /nfs/dbraw/zinc/85/22/22/856852222.db2.gz YUPYPIGSQLDSJY-FQEVSTJZSA-N 2 2 385.577 3.756 20 0 GHADLP C[C@@H](C(=O)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000508193132 857051601 /nfs/dbraw/zinc/05/16/01/857051601.db2.gz JNCIHGOPYHCWBL-BBWFWOEESA-N 2 2 398.576 3.901 20 0 GHADLP C[C@@H](C(=O)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000508193132 857051603 /nfs/dbraw/zinc/05/16/03/857051603.db2.gz JNCIHGOPYHCWBL-BBWFWOEESA-N 2 2 398.576 3.901 20 0 GHADLP C[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[NH+]1[C@H](C)CC[C@@H]1C ZINC000508193132 857051607 /nfs/dbraw/zinc/05/16/07/857051607.db2.gz JNCIHGOPYHCWBL-BBWFWOEESA-N 2 2 398.576 3.901 20 0 GHADLP C[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[NH+]1[C@H](C)CC[C@@H]1C ZINC000508193132 857051610 /nfs/dbraw/zinc/05/16/10/857051610.db2.gz JNCIHGOPYHCWBL-BBWFWOEESA-N 2 2 398.576 3.901 20 0 GHADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253367 857054265 /nfs/dbraw/zinc/05/42/65/857054265.db2.gz OXOYBEKDASXUPT-SAWYMBPVSA-N 2 2 383.511 3.841 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1OC(F)F ZINC000181418702 862871917 /nfs/dbraw/zinc/87/19/17/862871917.db2.gz JNMBDVHAUYWITR-VHSSKADRSA-N 2 2 386.458 3.846 20 0 GHADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000057285800 857181941 /nfs/dbraw/zinc/18/19/41/857181941.db2.gz PZOCHJVYAPQCFD-SFHVURJKSA-N 2 2 383.540 3.536 20 0 GHADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000057285800 857181945 /nfs/dbraw/zinc/18/19/45/857181945.db2.gz PZOCHJVYAPQCFD-SFHVURJKSA-N 2 2 383.540 3.536 20 0 GHADLP CC(C)C[C@@H]([NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000574078946 857213823 /nfs/dbraw/zinc/21/38/23/857213823.db2.gz CKEKLLYYTYYSRU-QZTJIDSGSA-N 2 2 386.565 3.557 20 0 GHADLP CC(C)C[C@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000574078948 857213982 /nfs/dbraw/zinc/21/39/82/857213982.db2.gz CKEKLLYYTYYSRU-ROUUACIJSA-N 2 2 386.565 3.557 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188873 862907213 /nfs/dbraw/zinc/90/72/13/862907213.db2.gz KAQTXRFWLAIMGO-APWZRJJASA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188873 862907227 /nfs/dbraw/zinc/90/72/27/862907227.db2.gz KAQTXRFWLAIMGO-APWZRJJASA-N 2 2 377.960 3.684 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000593292492 857454810 /nfs/dbraw/zinc/45/48/10/857454810.db2.gz AGOFDPGBRGPIBQ-RBBKRZOGSA-N 2 2 396.535 3.673 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000593292492 857454817 /nfs/dbraw/zinc/45/48/17/857454817.db2.gz AGOFDPGBRGPIBQ-RBBKRZOGSA-N 2 2 396.535 3.673 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000521063422 857574306 /nfs/dbraw/zinc/57/43/06/857574306.db2.gz UQIZCMXXPGUNAH-GHTZIAJQSA-N 2 2 390.487 3.598 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000521063422 857574314 /nfs/dbraw/zinc/57/43/14/857574314.db2.gz UQIZCMXXPGUNAH-GHTZIAJQSA-N 2 2 390.487 3.598 20 0 GHADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000442226847 857619065 /nfs/dbraw/zinc/61/90/65/857619065.db2.gz BPDKGXUYUHSDDO-IRLDBZIGSA-N 2 2 397.567 3.615 20 0 GHADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000442226847 857619072 /nfs/dbraw/zinc/61/90/72/857619072.db2.gz BPDKGXUYUHSDDO-IRLDBZIGSA-N 2 2 397.567 3.615 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000442231967 857625155 /nfs/dbraw/zinc/62/51/55/857625155.db2.gz BFNKSWHXKLBVRZ-RBBKRZOGSA-N 2 2 397.567 3.805 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000442231967 857625159 /nfs/dbraw/zinc/62/51/59/857625159.db2.gz BFNKSWHXKLBVRZ-RBBKRZOGSA-N 2 2 397.567 3.805 20 0 GHADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919912 857665884 /nfs/dbraw/zinc/66/58/84/857665884.db2.gz PMLHJSPOOSBOIM-PXNSSMCTSA-N 2 2 392.503 3.719 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nc3ccccc3o2)CC1 ZINC000181637543 862949958 /nfs/dbraw/zinc/94/99/58/862949958.db2.gz ASJQBOIJXRBKRI-MRXNPFEDSA-N 2 2 382.483 3.960 20 0 GHADLP Cc1ccc(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)c(C[NH+](C)C)c1 ZINC000900711410 862953594 /nfs/dbraw/zinc/95/35/94/862953594.db2.gz AVZPQZNQPNYVLZ-UHFFFAOYSA-N 2 2 377.492 3.618 20 0 GHADLP CCC[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668639749 857878709 /nfs/dbraw/zinc/87/87/09/857878709.db2.gz LJCFCXRRLDDJGM-ICSRJNTNSA-N 2 2 377.960 3.508 20 0 GHADLP CCC[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000668639749 857878712 /nfs/dbraw/zinc/87/87/12/857878712.db2.gz LJCFCXRRLDDJGM-ICSRJNTNSA-N 2 2 377.960 3.508 20 0 GHADLP CC[NH+](CC)CCOc1cc(NC(=O)c2ccn3c(C)c[nH+]c3c2)ccc1OC ZINC000574583634 858071016 /nfs/dbraw/zinc/07/10/16/858071016.db2.gz YKKIVHVBRHUPIN-UHFFFAOYSA-N 2 2 396.491 3.624 20 0 GHADLP O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543059794 858148263 /nfs/dbraw/zinc/14/82/63/858148263.db2.gz GRUHLXOPTWIDIS-OAQYLSRUSA-N 2 2 384.499 3.534 20 0 GHADLP CC[C@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[N@H+](C)Cc1ccccc1 ZINC000521946860 858477511 /nfs/dbraw/zinc/47/75/11/858477511.db2.gz IQNGNWDVNFFPHQ-IFMALSPDSA-N 2 2 394.563 3.836 20 0 GHADLP CC[C@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[N@@H+](C)Cc1ccccc1 ZINC000521946860 858477516 /nfs/dbraw/zinc/47/75/16/858477516.db2.gz IQNGNWDVNFFPHQ-IFMALSPDSA-N 2 2 394.563 3.836 20 0 GHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ncc(C(C)(C)C)s3)CC2)C[C@H](C)O1 ZINC000522036476 858554090 /nfs/dbraw/zinc/55/40/90/858554090.db2.gz VLPFYJJTYOFFOK-CALCHBBNSA-N 2 2 395.613 3.531 20 0 GHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ncc(C(C)(C)C)s3)CC2)C[C@H](C)O1 ZINC000522036476 858554098 /nfs/dbraw/zinc/55/40/98/858554098.db2.gz VLPFYJJTYOFFOK-CALCHBBNSA-N 2 2 395.613 3.531 20 0 GHADLP Cc1ccc(F)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183668299 858790882 /nfs/dbraw/zinc/79/08/82/858790882.db2.gz ZQHQIFSXNWHMJK-LEWJYISDSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1ccc(F)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183668299 858790889 /nfs/dbraw/zinc/79/08/89/858790889.db2.gz ZQHQIFSXNWHMJK-LEWJYISDSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001129274479 858830481 /nfs/dbraw/zinc/83/04/81/858830481.db2.gz KWBJVBSXQGWWIB-FQEVSTJZSA-N 2 2 388.943 3.604 20 0 GHADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001129274479 858830489 /nfs/dbraw/zinc/83/04/89/858830489.db2.gz KWBJVBSXQGWWIB-FQEVSTJZSA-N 2 2 388.943 3.604 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)CC2)cc1 ZINC000474082466 858839877 /nfs/dbraw/zinc/83/98/77/858839877.db2.gz OTEGPBWJDSDYHM-ISJGIBHGSA-N 2 2 399.623 3.769 20 0 GHADLP O=C(C[N@H+]1CCCC(F)(F)CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000625767566 858864154 /nfs/dbraw/zinc/86/41/54/858864154.db2.gz LOLAAKRFAZOPBT-GOSISDBHSA-N 2 2 399.913 3.714 20 0 GHADLP O=C(C[N@@H+]1CCCC(F)(F)CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000625767566 858864163 /nfs/dbraw/zinc/86/41/63/858864163.db2.gz LOLAAKRFAZOPBT-GOSISDBHSA-N 2 2 399.913 3.714 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000543603140 858942901 /nfs/dbraw/zinc/94/29/01/858942901.db2.gz YSHFCYKCKLKBSE-LEWJYISDSA-N 2 2 378.582 3.546 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000185357746 859075463 /nfs/dbraw/zinc/07/54/63/859075463.db2.gz SQHNUWXRWNJQDE-KSEOMHKRSA-N 2 2 392.609 3.790 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000185357746 859075468 /nfs/dbraw/zinc/07/54/68/859075468.db2.gz SQHNUWXRWNJQDE-KSEOMHKRSA-N 2 2 392.609 3.790 20 0 GHADLP C[C@@H](c1cccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1)[NH+]1CCOCC1 ZINC000483181889 859194063 /nfs/dbraw/zinc/19/40/63/859194063.db2.gz GYAWVXHGMADANH-ICSRJNTNSA-N 2 2 385.552 3.673 20 0 GHADLP C[C@@H](c1cccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1)[NH+]1CCOCC1 ZINC000483181889 859194068 /nfs/dbraw/zinc/19/40/68/859194068.db2.gz GYAWVXHGMADANH-ICSRJNTNSA-N 2 2 385.552 3.673 20 0 GHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000113586842 859228709 /nfs/dbraw/zinc/22/87/09/859228709.db2.gz KMUHMZNMJMOFFK-SFHVURJKSA-N 2 2 395.551 3.610 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3csc(-c4ccco4)n3)C2)ccn1 ZINC000856555038 881397195 /nfs/dbraw/zinc/39/71/95/881397195.db2.gz XYBPOCUTQKZJOR-LJQANCHMSA-N 2 2 398.532 3.903 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3csc(-c4ccco4)n3)C2)ccn1 ZINC000856555038 881397225 /nfs/dbraw/zinc/39/72/25/881397225.db2.gz XYBPOCUTQKZJOR-LJQANCHMSA-N 2 2 398.532 3.903 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3csc(-c4ccco4)n3)C2)ccn1 ZINC000856555038 881397259 /nfs/dbraw/zinc/39/72/59/881397259.db2.gz XYBPOCUTQKZJOR-LJQANCHMSA-N 2 2 398.532 3.903 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3csc(-c4ccco4)n3)C2)ccn1 ZINC000856555038 881397290 /nfs/dbraw/zinc/39/72/90/881397290.db2.gz XYBPOCUTQKZJOR-LJQANCHMSA-N 2 2 398.532 3.903 20 0 GHADLP Cc1ncsc1C[N@H+](C[C@@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC000923338930 859235346 /nfs/dbraw/zinc/23/53/46/859235346.db2.gz MJGQLSXLNXHOLV-RHSMWYFYSA-N 2 2 399.482 3.615 20 0 GHADLP Cc1ncsc1C[N@@H+](C[C@@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC000923338930 859235352 /nfs/dbraw/zinc/23/53/52/859235352.db2.gz MJGQLSXLNXHOLV-RHSMWYFYSA-N 2 2 399.482 3.615 20 0 GHADLP CN(C(=O)c1cc2c(s1)CCCCCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478954 859290677 /nfs/dbraw/zinc/29/06/77/859290677.db2.gz PVVBUUIIVUFEHY-LJQANCHMSA-N 2 2 389.609 3.648 20 0 GHADLP CN(C(=O)c1cc2c(s1)CCCCCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478954 859290689 /nfs/dbraw/zinc/29/06/89/859290689.db2.gz PVVBUUIIVUFEHY-LJQANCHMSA-N 2 2 389.609 3.648 20 0 GHADLP COC(=O)c1ccc2c(c1)[C@H](C[NH2+]C1CC[NH+](Cc3ccncc3)CC1)CCC2 ZINC000597200218 859358348 /nfs/dbraw/zinc/35/83/48/859358348.db2.gz HHWUPBSTJIZPDS-NRFANRHFSA-N 2 2 393.531 3.542 20 0 GHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)C1 ZINC001168532227 859474317 /nfs/dbraw/zinc/47/43/17/859474317.db2.gz GNAZKQFHCKKYCO-PMPSAXMXSA-N 2 2 393.494 3.637 20 0 GHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)C1 ZINC001168532227 859474324 /nfs/dbraw/zinc/47/43/24/859474324.db2.gz GNAZKQFHCKKYCO-PMPSAXMXSA-N 2 2 393.494 3.637 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccnc(Cl)c3F)C2)ccn1 ZINC000856558877 881427467 /nfs/dbraw/zinc/42/74/67/881427467.db2.gz MQLMLIHRLXHGNB-GOSISDBHSA-N 2 2 392.906 3.763 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccnc(Cl)c3F)C2)ccn1 ZINC000856558877 881427636 /nfs/dbraw/zinc/42/76/36/881427636.db2.gz MQLMLIHRLXHGNB-GOSISDBHSA-N 2 2 392.906 3.763 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccnc(Cl)c3F)C2)ccn1 ZINC000856558877 881427733 /nfs/dbraw/zinc/42/77/33/881427733.db2.gz MQLMLIHRLXHGNB-GOSISDBHSA-N 2 2 392.906 3.763 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccnc(Cl)c3F)C2)ccn1 ZINC000856558877 881428106 /nfs/dbraw/zinc/42/81/06/881428106.db2.gz MQLMLIHRLXHGNB-GOSISDBHSA-N 2 2 392.906 3.763 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000117590476 859524300 /nfs/dbraw/zinc/52/43/00/859524300.db2.gz HRXZRLFEZMGJKE-UHFFFAOYSA-N 2 2 378.476 3.845 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000611409324 859744186 /nfs/dbraw/zinc/74/41/86/859744186.db2.gz JSFGLXLUJUVXDW-XMMPIXPASA-N 2 2 396.531 3.792 20 0 GHADLP CCC(=O)Nc1cccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000765048475 859762537 /nfs/dbraw/zinc/76/25/37/859762537.db2.gz JHBXOUZEVUAIQI-UHFFFAOYSA-N 2 2 380.536 3.860 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1ccco1 ZINC000474300316 859780068 /nfs/dbraw/zinc/78/00/68/859780068.db2.gz AVXCPDNRXOMLKW-VQTJNVASSA-N 2 2 387.499 3.582 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1ccco1 ZINC000474300316 859780071 /nfs/dbraw/zinc/78/00/71/859780071.db2.gz AVXCPDNRXOMLKW-VQTJNVASSA-N 2 2 387.499 3.582 20 0 GHADLP C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000513261775 859875892 /nfs/dbraw/zinc/87/58/92/859875892.db2.gz PBFBMIIRLKEJBB-XXBNENTESA-N 2 2 393.531 3.540 20 0 GHADLP C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000513261775 859875901 /nfs/dbraw/zinc/87/59/01/859875901.db2.gz PBFBMIIRLKEJBB-XXBNENTESA-N 2 2 393.531 3.540 20 0 GHADLP COc1ccc2nc(C[NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)sc2c1 ZINC000474381544 859969381 /nfs/dbraw/zinc/96/93/81/859969381.db2.gz XKJQZABGFMZWRJ-SFHVURJKSA-N 2 2 381.545 3.959 20 0 GHADLP COc1ccc2nc(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)sc2c1 ZINC000474381544 859969386 /nfs/dbraw/zinc/96/93/86/859969386.db2.gz XKJQZABGFMZWRJ-SFHVURJKSA-N 2 2 381.545 3.959 20 0 GHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCCCNc1cccc[nH+]1)[NH+](C)C ZINC000508915266 859987971 /nfs/dbraw/zinc/98/79/71/859987971.db2.gz FKDCSAIDOAWOQJ-NQIIRXRSSA-N 2 2 383.540 3.573 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1C1CCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001127905295 860238643 /nfs/dbraw/zinc/23/86/43/860238643.db2.gz CJXCPNVPSJRSTP-CBPXPLCBSA-N 2 2 375.601 3.608 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1C1CCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001127905295 860238654 /nfs/dbraw/zinc/23/86/54/860238654.db2.gz CJXCPNVPSJRSTP-CBPXPLCBSA-N 2 2 375.601 3.608 20 0 GHADLP [NH3+]CC1([C@H]2CCCCN2C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCC1 ZINC000904278311 860307040 /nfs/dbraw/zinc/30/70/40/860307040.db2.gz GYMQXBKFYRDKBV-QGZVFWFLSA-N 2 2 391.585 3.644 20 0 GHADLP CSCc1cnc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000508968198 860344139 /nfs/dbraw/zinc/34/41/39/860344139.db2.gz VXYSCYLVONHIIK-IYBDPMFKSA-N 2 2 383.627 3.717 20 0 GHADLP CSCc1cnc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000508968198 860344154 /nfs/dbraw/zinc/34/41/54/860344154.db2.gz VXYSCYLVONHIIK-IYBDPMFKSA-N 2 2 383.627 3.717 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000098093626 860717107 /nfs/dbraw/zinc/71/71/07/860717107.db2.gz KOSPFWQBCFRPSQ-JOCHJYFZSA-N 2 2 392.547 3.600 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000098093626 860717114 /nfs/dbraw/zinc/71/71/14/860717114.db2.gz KOSPFWQBCFRPSQ-JOCHJYFZSA-N 2 2 392.547 3.600 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH+]3Cc3ccccn3)cc2)C1 ZINC000673640367 860828811 /nfs/dbraw/zinc/82/88/11/860828811.db2.gz DLWWPFGTBLVDOW-AUSIDOKSSA-N 2 2 392.547 3.917 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH+]3Cc3ccccn3)cc2)C1 ZINC000673640367 860828814 /nfs/dbraw/zinc/82/88/14/860828814.db2.gz DLWWPFGTBLVDOW-AUSIDOKSSA-N 2 2 392.547 3.917 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)cc2)C1 ZINC000673640367 860828818 /nfs/dbraw/zinc/82/88/18/860828818.db2.gz DLWWPFGTBLVDOW-AUSIDOKSSA-N 2 2 392.547 3.917 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)cc2)C1 ZINC000673640367 860828821 /nfs/dbraw/zinc/82/88/21/860828821.db2.gz DLWWPFGTBLVDOW-AUSIDOKSSA-N 2 2 392.547 3.917 20 0 GHADLP Cn1cc(-c2ccc(CNc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)s2)cn1 ZINC000282554419 863229822 /nfs/dbraw/zinc/22/98/22/863229822.db2.gz JELWBGUQSUQTQD-UHFFFAOYSA-N 2 2 396.564 3.686 20 0 GHADLP COC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)c(F)c1 ZINC000182598314 863296363 /nfs/dbraw/zinc/29/63/63/863296363.db2.gz VQTJHXWZRRYUOC-AOMKIAJQSA-N 2 2 390.474 3.663 20 0 GHADLP COC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)c(F)c1 ZINC000182598314 863296376 /nfs/dbraw/zinc/29/63/76/863296376.db2.gz VQTJHXWZRRYUOC-AOMKIAJQSA-N 2 2 390.474 3.663 20 0 GHADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000182662270 863320151 /nfs/dbraw/zinc/32/01/51/863320151.db2.gz YWDMYXYBKFPAJY-JOCHJYFZSA-N 2 2 384.495 3.704 20 0 GHADLP Fc1ccccc1OC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655703198 863769076 /nfs/dbraw/zinc/76/90/76/863769076.db2.gz NGZSYPQWUPPOOQ-RBBKRZOGSA-N 2 2 384.495 3.789 20 0 GHADLP CCCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccccc1 ZINC000621301475 864078022 /nfs/dbraw/zinc/07/80/22/864078022.db2.gz GLKNGAKJWNLYTC-OAQYLSRUSA-N 2 2 394.563 3.984 20 0 GHADLP CCCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccccc1 ZINC000621301475 864078037 /nfs/dbraw/zinc/07/80/37/864078037.db2.gz GLKNGAKJWNLYTC-OAQYLSRUSA-N 2 2 394.563 3.984 20 0 GHADLP CN(C)[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1c(F)cccc1F ZINC000120701137 881732049 /nfs/dbraw/zinc/73/20/49/881732049.db2.gz FWEQJXOBPIIMJL-JOCHJYFZSA-N 2 2 387.518 3.864 20 0 GHADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000475132065 864288359 /nfs/dbraw/zinc/28/83/59/864288359.db2.gz WPQHZXQWKBOFRG-UHFFFAOYSA-N 2 2 395.341 3.671 20 0 GHADLP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000475132065 864288370 /nfs/dbraw/zinc/28/83/70/864288370.db2.gz WPQHZXQWKBOFRG-UHFFFAOYSA-N 2 2 395.341 3.671 20 0 GHADLP CCc1cc(N2CCC[C@@H]([N@H+](C)Cc3noc(C)n3)CC2)c2ccccc2[nH+]1 ZINC000480240918 864330800 /nfs/dbraw/zinc/33/08/00/864330800.db2.gz MURRYEKPABWPNA-GOSISDBHSA-N 2 2 379.508 3.980 20 0 GHADLP CCc1cc(N2CCC[C@@H]([N@@H+](C)Cc3noc(C)n3)CC2)c2ccccc2[nH+]1 ZINC000480240918 864330814 /nfs/dbraw/zinc/33/08/14/864330814.db2.gz MURRYEKPABWPNA-GOSISDBHSA-N 2 2 379.508 3.980 20 0 GHADLP Fc1cccc(-c2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)o2)c1F ZINC000480361098 864549793 /nfs/dbraw/zinc/54/97/93/864549793.db2.gz WWBMCDWDUHGDBG-HNNXBMFYSA-N 2 2 376.447 3.815 20 0 GHADLP COc1cc(N2CC[NH+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)CC2)ccn1 ZINC001168060748 864715761 /nfs/dbraw/zinc/71/57/61/864715761.db2.gz XYQUJSJXDKPJDN-WOJBJXKFSA-N 2 2 394.563 3.654 20 0 GHADLP CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667684283 864756355 /nfs/dbraw/zinc/75/63/55/864756355.db2.gz QLENETGXAYTXTA-NRFANRHFSA-N 3 2 375.520 3.611 20 0 GHADLP CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667684283 864756357 /nfs/dbraw/zinc/75/63/57/864756357.db2.gz QLENETGXAYTXTA-NRFANRHFSA-N 3 2 375.520 3.611 20 0 GHADLP CC[NH+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667684283 864756361 /nfs/dbraw/zinc/75/63/61/864756361.db2.gz QLENETGXAYTXTA-NRFANRHFSA-N 3 2 375.520 3.611 20 0 GHADLP CC[NH+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667684283 864756363 /nfs/dbraw/zinc/75/63/63/864756363.db2.gz QLENETGXAYTXTA-NRFANRHFSA-N 3 2 375.520 3.611 20 0 GHADLP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000167251636 864774558 /nfs/dbraw/zinc/77/45/58/864774558.db2.gz GECDNFDOQCZEQL-NZQKXSOJSA-N 2 2 397.563 3.806 20 0 GHADLP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000167251636 864774566 /nfs/dbraw/zinc/77/45/66/864774566.db2.gz GECDNFDOQCZEQL-NZQKXSOJSA-N 2 2 397.563 3.806 20 0 GHADLP CCOC(=O)c1ccc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001142599679 864807773 /nfs/dbraw/zinc/80/77/73/864807773.db2.gz OZYFIWCVEZLROS-UHFFFAOYSA-N 2 2 378.516 3.886 20 0 GHADLP CCOC(=O)c1ccc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001142599679 864807790 /nfs/dbraw/zinc/80/77/90/864807790.db2.gz OZYFIWCVEZLROS-UHFFFAOYSA-N 2 2 378.516 3.886 20 0 GHADLP COc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1F ZINC000608070278 864962196 /nfs/dbraw/zinc/96/21/96/864962196.db2.gz CHWQQXQBSFDKNS-UHFFFAOYSA-N 2 2 377.891 3.529 20 0 GHADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480607218 864967278 /nfs/dbraw/zinc/96/72/78/864967278.db2.gz DYQDIUHYGUTOEP-SFHVURJKSA-N 2 2 391.515 3.980 20 0 GHADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(CO)o2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000608057038 864979867 /nfs/dbraw/zinc/97/98/67/864979867.db2.gz WXDNALOZXBEMIO-BEFAXECRSA-N 2 2 382.426 3.963 20 0 GHADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(CO)o2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000608057038 864979874 /nfs/dbraw/zinc/97/98/74/864979874.db2.gz WXDNALOZXBEMIO-BEFAXECRSA-N 2 2 382.426 3.963 20 0 GHADLP CC(C)c1ccc(C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C2CC2)cc1 ZINC000120971532 881825833 /nfs/dbraw/zinc/82/58/33/881825833.db2.gz BVEAQKXZURBYDJ-UHFFFAOYSA-N 2 2 379.552 3.516 20 0 GHADLP CC(C)c1ccc(C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C2CC2)cc1 ZINC000120971532 881825848 /nfs/dbraw/zinc/82/58/48/881825848.db2.gz BVEAQKXZURBYDJ-UHFFFAOYSA-N 2 2 379.552 3.516 20 0 GHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NC2CC[NH+](C)CC2)n1 ZINC000301064742 865129271 /nfs/dbraw/zinc/12/92/71/865129271.db2.gz AHLFWMHOSNGVQU-UHFFFAOYSA-N 2 2 381.549 3.926 20 0 GHADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000480748689 865191472 /nfs/dbraw/zinc/19/14/72/865191472.db2.gz LTEMNWOUXTZRRC-HNAYVOBHSA-N 2 2 391.357 3.534 20 0 GHADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000480748689 865191474 /nfs/dbraw/zinc/19/14/74/865191474.db2.gz LTEMNWOUXTZRRC-HNAYVOBHSA-N 2 2 391.357 3.534 20 0 GHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1I ZINC000480765860 865222089 /nfs/dbraw/zinc/22/20/89/865222089.db2.gz DAWWMMDJAFKWRM-CYBMUJFWSA-N 2 2 395.288 3.717 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+]2CCSCC2)CCCC1 ZINC000480773371 865272372 /nfs/dbraw/zinc/27/23/72/865272372.db2.gz XAKZGUXPUUIPIX-IRLDBZIGSA-N 2 2 387.637 3.848 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+]2CCSCC2)CCCC1 ZINC000480773371 865272384 /nfs/dbraw/zinc/27/23/84/865272384.db2.gz XAKZGUXPUUIPIX-IRLDBZIGSA-N 2 2 387.637 3.848 20 0 GHADLP Brc1ccn2cc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)nc2c1 ZINC000554972340 865277306 /nfs/dbraw/zinc/27/73/06/865277306.db2.gz JZHXKVXDMYRYDS-UHFFFAOYSA-N 2 2 391.357 3.984 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000301345159 865300441 /nfs/dbraw/zinc/30/04/41/865300441.db2.gz JMGIXDVUARKOLS-QGZVFWFLSA-N 2 2 397.519 3.633 20 0 GHADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ncc(Br)cn3)cc2)CC1 ZINC000301354871 865307084 /nfs/dbraw/zinc/30/70/84/865307084.db2.gz KHDXJHRPOQTQEC-UHFFFAOYSA-N 2 2 390.329 3.761 20 0 GHADLP CC1CC[NH+](C[C@H](O)CNc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301571214 865432217 /nfs/dbraw/zinc/43/22/17/865432217.db2.gz YAKPNOCDOHDHKK-CQSZACIVSA-N 2 2 378.314 3.502 20 0 GHADLP C[C@@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000671242954 865697380 /nfs/dbraw/zinc/69/73/80/865697380.db2.gz XNTKHAJWZIOACW-SFHVURJKSA-N 2 2 384.524 3.622 20 0 GHADLP CC[N@@H+](Cc1ccc(Br)cn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395055 865901689 /nfs/dbraw/zinc/90/16/89/865901689.db2.gz ORFBDEDRJSVYQL-UHFFFAOYSA-N 2 2 389.341 3.978 20 0 GHADLP CC[N@H+](Cc1ccc(Br)cn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395055 865901694 /nfs/dbraw/zinc/90/16/94/865901694.db2.gz ORFBDEDRJSVYQL-UHFFFAOYSA-N 2 2 389.341 3.978 20 0 GHADLP CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481181224 865940184 /nfs/dbraw/zinc/94/01/84/865940184.db2.gz NNASUSRKYPRPFU-SFYKDHMMSA-N 2 2 395.547 3.913 20 0 GHADLP CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481181224 865940191 /nfs/dbraw/zinc/94/01/91/865940191.db2.gz NNASUSRKYPRPFU-SFYKDHMMSA-N 2 2 395.547 3.913 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(C)Cc1cccc(F)c1 ZINC000481184537 865947645 /nfs/dbraw/zinc/94/76/45/865947645.db2.gz CWWKMAIUPIRJEA-MSYCTHLASA-N 2 2 397.538 3.673 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(C)Cc1cccc(F)c1 ZINC000481184537 865947652 /nfs/dbraw/zinc/94/76/52/865947652.db2.gz CWWKMAIUPIRJEA-MSYCTHLASA-N 2 2 397.538 3.673 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)oc(=O)n3C)CC[N@@H+]1Cc1ccccc1 ZINC000508485266 865992831 /nfs/dbraw/zinc/99/28/31/865992831.db2.gz XCFITHCSYALXTJ-FXAWDEMLSA-N 2 2 379.504 3.616 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)oc(=O)n3C)CC[N@H+]1Cc1ccccc1 ZINC000508485266 865992839 /nfs/dbraw/zinc/99/28/39/865992839.db2.gz XCFITHCSYALXTJ-FXAWDEMLSA-N 2 2 379.504 3.616 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)oc(=O)n3C)CC[NH+]1Cc1ccccc1 ZINC000508485266 865992845 /nfs/dbraw/zinc/99/28/45/865992845.db2.gz XCFITHCSYALXTJ-FXAWDEMLSA-N 2 2 379.504 3.616 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)oc(=O)n3C)CC[NH+]1Cc1ccccc1 ZINC000508485266 865992853 /nfs/dbraw/zinc/99/28/53/865992853.db2.gz XCFITHCSYALXTJ-FXAWDEMLSA-N 2 2 379.504 3.616 20 0 GHADLP COc1ccc(Cn2nc(C)c(C[NH2+]C3CC([NH+]4CCCCC4)C3)c2C)cc1 ZINC000475559826 866279253 /nfs/dbraw/zinc/27/92/53/866279253.db2.gz RATZDGWPJKKSTL-UHFFFAOYSA-N 2 2 382.552 3.663 20 0 GHADLP OC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1OC(F)(F)F ZINC000475569459 866340882 /nfs/dbraw/zinc/34/08/82/866340882.db2.gz JBDVCSCIOZYVOB-HNNXBMFYSA-N 2 2 383.395 3.656 20 0 GHADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCC2 ZINC000534351330 866601170 /nfs/dbraw/zinc/60/11/70/866601170.db2.gz ZIMXBVIKIKIHAI-DEOSSOPVSA-N 2 2 380.532 3.873 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1Br ZINC000111243473 866668236 /nfs/dbraw/zinc/66/82/36/866668236.db2.gz JLTUFYRPXSOUJB-AWEZNQCLSA-N 2 2 391.313 3.618 20 0 GHADLP Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H](C)c3cccc(-n4cc[nH+]c4)c3)c2cc1C ZINC000189905276 882039025 /nfs/dbraw/zinc/03/90/25/882039025.db2.gz ILLJBTUSZOEFTP-GHTZIAJQSA-N 2 2 389.503 3.551 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@H](C)C1 ZINC000153706685 867035430 /nfs/dbraw/zinc/03/54/30/867035430.db2.gz HBKBHFKDBFGSDK-DYESRHJHSA-N 3 2 388.531 3.546 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@H](C)C1 ZINC000153706685 867035444 /nfs/dbraw/zinc/03/54/44/867035444.db2.gz HBKBHFKDBFGSDK-DYESRHJHSA-N 3 2 388.531 3.546 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)[C@H](C)C1 ZINC000153706685 867035459 /nfs/dbraw/zinc/03/54/59/867035459.db2.gz HBKBHFKDBFGSDK-DYESRHJHSA-N 2 2 388.531 3.546 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)[C@H](C)C1 ZINC000153706685 867035469 /nfs/dbraw/zinc/03/54/69/867035469.db2.gz HBKBHFKDBFGSDK-DYESRHJHSA-N 2 2 388.531 3.546 20 0 GHADLP [NH3+]Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc(C(F)(F)F)c1 ZINC000263060189 882051192 /nfs/dbraw/zinc/05/11/92/882051192.db2.gz YEFPUDMRVJRCJP-GOSISDBHSA-N 2 2 395.400 3.906 20 0 GHADLP [NH3+]Cc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc(C(F)(F)F)c1 ZINC000263060189 882051210 /nfs/dbraw/zinc/05/12/10/882051210.db2.gz YEFPUDMRVJRCJP-GOSISDBHSA-N 2 2 395.400 3.906 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[C@H](C[NH+]3CCCCCC3)C1)C2 ZINC000475612964 867163728 /nfs/dbraw/zinc/16/37/28/867163728.db2.gz SAVAPENJFPXKIQ-MOPGFXCFSA-N 2 2 386.584 3.753 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[C@H](C[NH+]3CCCCCC3)C1)CC2 ZINC000475612964 867163747 /nfs/dbraw/zinc/16/37/47/867163747.db2.gz SAVAPENJFPXKIQ-MOPGFXCFSA-N 2 2 386.584 3.753 20 0 GHADLP COc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c(OC)c1OC ZINC000742377853 867270842 /nfs/dbraw/zinc/27/08/42/867270842.db2.gz JRAIHAYUPIGYMM-UHFFFAOYSA-N 2 2 399.535 3.537 20 0 GHADLP CC1CC[NH+](CCSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)CC1 ZINC000154191306 867289002 /nfs/dbraw/zinc/28/90/02/867289002.db2.gz PPGRJWOHAXCKRI-UHFFFAOYSA-N 2 2 385.581 3.687 20 0 GHADLP COc1ccc([C@@H](CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)[NH+]2CCCC2)cc1 ZINC000523423963 867296271 /nfs/dbraw/zinc/29/62/71/867296271.db2.gz SJKQNQXEIHTNPK-HXUWFJFHSA-N 2 2 393.491 3.610 20 0 GHADLP CC(C)c1ccc(-c2ncc(C[NH+]3CCN(c4[nH+]ccn4C)CC3)s2)cc1 ZINC000534845628 867587098 /nfs/dbraw/zinc/58/70/98/867587098.db2.gz AINSNQRARCMSCH-UHFFFAOYSA-N 2 2 381.549 3.989 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000457088263 867638309 /nfs/dbraw/zinc/63/83/09/867638309.db2.gz QZMPAHNEFQANKJ-UHFFFAOYSA-N 2 2 394.441 3.670 20 0 GHADLP C[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1cccs1 ZINC000534870991 867639955 /nfs/dbraw/zinc/63/99/55/867639955.db2.gz TVHSZCHQXZOETE-LJQANCHMSA-N 2 2 391.968 3.787 20 0 GHADLP C[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1cccs1 ZINC000534870991 867639970 /nfs/dbraw/zinc/63/99/70/867639970.db2.gz TVHSZCHQXZOETE-LJQANCHMSA-N 2 2 391.968 3.787 20 0 GHADLP O=C(NCc1ccc2c(c1)C[NH2+]C2)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000667487878 867762528 /nfs/dbraw/zinc/76/25/28/867762528.db2.gz QDLAGWZXEFJYSI-UHFFFAOYSA-N 2 2 387.487 3.811 20 0 GHADLP CC(C)N(CC[NH+]1CCCCCC1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000553753951 868131990 /nfs/dbraw/zinc/13/19/90/868131990.db2.gz GFXYDNWYJJZSNR-UHFFFAOYSA-N 2 2 382.552 3.587 20 0 GHADLP Cc1cccc([C@H](C)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535096495 868159899 /nfs/dbraw/zinc/15/98/99/868159899.db2.gz PANPHWSEKDUTSX-WWPVKYPJSA-N 2 2 385.596 3.894 20 0 GHADLP Cc1cccc([C@H](C)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535096495 868159907 /nfs/dbraw/zinc/15/99/07/868159907.db2.gz PANPHWSEKDUTSX-WWPVKYPJSA-N 2 2 385.596 3.894 20 0 GHADLP Cc1ccc(N2CC[C@H]([N@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2=O)cc1 ZINC000744427144 868829347 /nfs/dbraw/zinc/82/93/47/868829347.db2.gz ZSUFDDAUQNIXEK-GMAHTHKFSA-N 2 2 377.532 3.554 20 0 GHADLP Cc1ccc(N2CC[C@H]([N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2=O)cc1 ZINC000744427144 868829362 /nfs/dbraw/zinc/82/93/62/868829362.db2.gz ZSUFDDAUQNIXEK-GMAHTHKFSA-N 2 2 377.532 3.554 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000744427144 868829375 /nfs/dbraw/zinc/82/93/75/868829375.db2.gz ZSUFDDAUQNIXEK-GMAHTHKFSA-N 2 2 377.532 3.554 20 0 GHADLP Cc1ccc(N2CC[C@H]([NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000744427144 868829393 /nfs/dbraw/zinc/82/93/93/868829393.db2.gz ZSUFDDAUQNIXEK-GMAHTHKFSA-N 2 2 377.532 3.554 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CC2)cc1 ZINC000535514330 868874694 /nfs/dbraw/zinc/87/46/94/868874694.db2.gz QALJDLYZXCRKHJ-SMIHKQSGSA-N 2 2 397.607 3.522 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2nccn2-c2ccccc2)C[C@H](C)O1 ZINC000190833908 882283260 /nfs/dbraw/zinc/28/32/60/882283260.db2.gz MBUUORWNFGQRHX-BGYRXZFFSA-N 2 2 390.531 3.771 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2nccn2-c2ccccc2)C[C@H](C)O1 ZINC000190833908 882283270 /nfs/dbraw/zinc/28/32/70/882283270.db2.gz MBUUORWNFGQRHX-BGYRXZFFSA-N 2 2 390.531 3.771 20 0 GHADLP C[C@@H]1[C@H](C(F)(F)F)CC[NH+]1CC1(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)COC1 ZINC000470943401 869426865 /nfs/dbraw/zinc/42/68/65/869426865.db2.gz FSLWWZADZXABJX-AAVRWANBSA-N 2 2 388.396 3.548 20 0 GHADLP C[C@@H]1[C@H](C(F)(F)F)CC[NH+]1CC1(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)COC1 ZINC000470943401 869426875 /nfs/dbraw/zinc/42/68/75/869426875.db2.gz FSLWWZADZXABJX-AAVRWANBSA-N 2 2 388.396 3.548 20 0 GHADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000462633137 869801875 /nfs/dbraw/zinc/80/18/75/869801875.db2.gz SFFQCVUOFXQHBW-DUXKGJEZSA-N 2 2 383.540 3.531 20 0 GHADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000462633137 869801877 /nfs/dbraw/zinc/80/18/77/869801877.db2.gz SFFQCVUOFXQHBW-DUXKGJEZSA-N 2 2 383.540 3.531 20 0 GHADLP CN(C(=O)CCCC(F)(F)F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539971500 870133799 /nfs/dbraw/zinc/13/37/99/870133799.db2.gz YNWIHTUBBORVKH-IRXDYDNUSA-N 2 2 377.495 3.515 20 0 GHADLP CN(C(=O)CCCC(F)(F)F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539971500 870133803 /nfs/dbraw/zinc/13/38/03/870133803.db2.gz YNWIHTUBBORVKH-IRXDYDNUSA-N 2 2 377.495 3.515 20 0 GHADLP Cc1c(Br)cccc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001192349678 870309756 /nfs/dbraw/zinc/30/97/56/870309756.db2.gz SGSODFOOBVMWGN-UHFFFAOYSA-N 2 2 394.401 3.748 20 0 GHADLP Cc1cc(Br)ccc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001192349840 870310170 /nfs/dbraw/zinc/31/01/70/870310170.db2.gz WJRKGGMUQREKOQ-UHFFFAOYSA-N 2 2 394.401 3.748 20 0 GHADLP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000248508361 870464127 /nfs/dbraw/zinc/46/41/27/870464127.db2.gz YBURCXANBYXPLX-ISKFKSNPSA-N 2 2 391.490 3.667 20 0 GHADLP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000248508361 870464150 /nfs/dbraw/zinc/46/41/50/870464150.db2.gz YBURCXANBYXPLX-ISKFKSNPSA-N 2 2 391.490 3.667 20 0 GHADLP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)c2)CC1 ZINC000538774078 870586137 /nfs/dbraw/zinc/58/61/37/870586137.db2.gz SPMHZPQJNQTFLN-HXUWFJFHSA-N 2 2 395.551 3.716 20 0 GHADLP COCCN(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000191348865 882433445 /nfs/dbraw/zinc/43/34/45/882433445.db2.gz PKFODRLLVJBPPS-NFBKMPQASA-N 2 2 396.579 3.649 20 0 GHADLP COCCN(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000191348865 882433452 /nfs/dbraw/zinc/43/34/52/882433452.db2.gz PKFODRLLVJBPPS-NFBKMPQASA-N 2 2 396.579 3.649 20 0 GHADLP COCCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000191348865 882433456 /nfs/dbraw/zinc/43/34/56/882433456.db2.gz PKFODRLLVJBPPS-NFBKMPQASA-N 2 2 396.579 3.649 20 0 GHADLP COCCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000191348865 882433462 /nfs/dbraw/zinc/43/34/62/882433462.db2.gz PKFODRLLVJBPPS-NFBKMPQASA-N 2 2 396.579 3.649 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000446975510 870794352 /nfs/dbraw/zinc/79/43/52/870794352.db2.gz BPXDBDMOKAKQPL-KBXCAEBGSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000446975510 870794359 /nfs/dbraw/zinc/79/43/59/870794359.db2.gz BPXDBDMOKAKQPL-KBXCAEBGSA-N 2 2 394.357 3.773 20 0 GHADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000540245427 870848964 /nfs/dbraw/zinc/84/89/64/870848964.db2.gz PKBUJNYMZVSJFM-ZACQAIPSSA-N 2 2 382.495 3.616 20 0 GHADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540245420 870849204 /nfs/dbraw/zinc/84/92/04/870849204.db2.gz PKBUJNYMZVSJFM-BBWFWOEESA-N 2 2 382.495 3.616 20 0 GHADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540245420 870849214 /nfs/dbraw/zinc/84/92/14/870849214.db2.gz PKBUJNYMZVSJFM-BBWFWOEESA-N 2 2 382.495 3.616 20 0 GHADLP CCCCc1nc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000540247280 870850616 /nfs/dbraw/zinc/85/06/16/870850616.db2.gz KZQNPBBHTLQUMV-HDICACEKSA-N 2 2 395.613 3.576 20 0 GHADLP CCCCc1nc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000540247280 870850635 /nfs/dbraw/zinc/85/06/35/870850635.db2.gz KZQNPBBHTLQUMV-HDICACEKSA-N 2 2 395.613 3.576 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000447079756 870960402 /nfs/dbraw/zinc/96/04/02/870960402.db2.gz XHXCVQOFRBKZFP-UHFFFAOYSA-N 2 2 380.467 3.817 20 0 GHADLP CCn1c2ccccc2c2cc(NC(=O)C[N@H+](C)CCCn3cc[nH+]c3)ccc21 ZINC000540318958 870970660 /nfs/dbraw/zinc/97/06/60/870970660.db2.gz UVOMAVGUFHXHFL-UHFFFAOYSA-N 2 2 389.503 3.972 20 0 GHADLP CCn1c2ccccc2c2cc(NC(=O)C[N@@H+](C)CCCn3cc[nH+]c3)ccc21 ZINC000540318958 870970664 /nfs/dbraw/zinc/97/06/64/870970664.db2.gz UVOMAVGUFHXHFL-UHFFFAOYSA-N 2 2 389.503 3.972 20 0 GHADLP COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000463137629 870990579 /nfs/dbraw/zinc/99/05/79/870990579.db2.gz LMWQLVJUXVMPKB-LSWJPFSZSA-N 2 2 381.564 3.941 20 0 GHADLP OC[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429696570 871043328 /nfs/dbraw/zinc/04/33/28/871043328.db2.gz IRJCVFHRQAQJLU-LOSJGSFVSA-N 2 2 394.559 3.551 20 0 GHADLP OC[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429696570 871043350 /nfs/dbraw/zinc/04/33/50/871043350.db2.gz IRJCVFHRQAQJLU-LOSJGSFVSA-N 2 2 394.559 3.551 20 0 GHADLP OC[C@H](C1CC1)[NH+](Cc1ccccc1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429696570 871043375 /nfs/dbraw/zinc/04/33/75/871043375.db2.gz IRJCVFHRQAQJLU-LOSJGSFVSA-N 2 2 394.559 3.551 20 0 GHADLP OC[C@H](C1CC1)[NH+](Cc1ccccc1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429696570 871043395 /nfs/dbraw/zinc/04/33/95/871043395.db2.gz IRJCVFHRQAQJLU-LOSJGSFVSA-N 2 2 394.559 3.551 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C(C)(C)O1 ZINC001193649369 871215284 /nfs/dbraw/zinc/21/52/84/871215284.db2.gz PDXJZLCKCYYLRH-LJQANCHMSA-N 2 2 379.976 3.788 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463260313 871277920 /nfs/dbraw/zinc/27/79/20/871277920.db2.gz CEPIBEWWYCPMAJ-TYCQWZJGSA-N 2 2 385.939 3.899 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000463260313 871277937 /nfs/dbraw/zinc/27/79/37/871277937.db2.gz CEPIBEWWYCPMAJ-TYCQWZJGSA-N 2 2 385.939 3.899 20 0 GHADLP Cc1csc(N2CCC([NH2+]C[C@H](C3CC3)[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000463269403 871335829 /nfs/dbraw/zinc/33/58/29/871335829.db2.gz VMJWMDFGQHQIAK-OAQYLSRUSA-N 2 2 384.593 3.921 20 0 GHADLP Cc1csc(N2CCC([NH2+]C[C@H](C3CC3)[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000463269403 871335850 /nfs/dbraw/zinc/33/58/50/871335850.db2.gz VMJWMDFGQHQIAK-OAQYLSRUSA-N 2 2 384.593 3.921 20 0 GHADLP CC[NH+]1CCC([NH2+][C@@H](CC(C)C)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC001169239219 871338323 /nfs/dbraw/zinc/33/83/23/871338323.db2.gz SFRONTZDQWZMCN-FQEVSTJZSA-N 2 2 399.535 3.529 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)CCOc1ccccc1C(C)(C)C ZINC001193907457 871390149 /nfs/dbraw/zinc/39/01/49/871390149.db2.gz PXSFZTCWEZQJAF-OAQYLSRUSA-N 2 2 384.564 3.788 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)CCOc1ccccc1C(C)(C)C ZINC001193907457 871390168 /nfs/dbraw/zinc/39/01/68/871390168.db2.gz PXSFZTCWEZQJAF-OAQYLSRUSA-N 2 2 384.564 3.788 20 0 GHADLP C[NH+](CCOc1ccccc1C(C)(C)C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001193907457 871390189 /nfs/dbraw/zinc/39/01/89/871390189.db2.gz PXSFZTCWEZQJAF-OAQYLSRUSA-N 2 2 384.564 3.788 20 0 GHADLP C[NH+](CCOc1ccccc1C(C)(C)C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001193907457 871390210 /nfs/dbraw/zinc/39/02/10/871390210.db2.gz PXSFZTCWEZQJAF-OAQYLSRUSA-N 2 2 384.564 3.788 20 0 GHADLP FC(F)(F)OCCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001194262179 871598518 /nfs/dbraw/zinc/59/85/18/871598518.db2.gz KSJFFRQVLFQYTK-UHFFFAOYSA-N 2 2 396.207 3.667 20 0 GHADLP FC(F)(F)OCCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001194262179 871598525 /nfs/dbraw/zinc/59/85/25/871598525.db2.gz KSJFFRQVLFQYTK-UHFFFAOYSA-N 2 2 396.207 3.667 20 0 GHADLP CCOC(=O)N1CCC[C@@H]([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)CC1 ZINC001169664838 871732867 /nfs/dbraw/zinc/73/28/67/871732867.db2.gz SGCSLPYTWOGXJS-HXUWFJFHSA-N 2 2 391.531 3.699 20 0 GHADLP CCN(C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000526013007 871900873 /nfs/dbraw/zinc/90/08/73/871900873.db2.gz RFDQOYULUXMNDS-VQTJNVASSA-N 2 2 394.563 3.761 20 0 GHADLP CCN(C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000526013007 871900884 /nfs/dbraw/zinc/90/08/84/871900884.db2.gz RFDQOYULUXMNDS-VQTJNVASSA-N 2 2 394.563 3.761 20 0 GHADLP CCN(C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000526013007 871900888 /nfs/dbraw/zinc/90/08/88/871900888.db2.gz RFDQOYULUXMNDS-VQTJNVASSA-N 2 2 394.563 3.761 20 0 GHADLP CCN(C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000526013007 871900898 /nfs/dbraw/zinc/90/08/98/871900898.db2.gz RFDQOYULUXMNDS-VQTJNVASSA-N 2 2 394.563 3.761 20 0 GHADLP C[C@H](C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H](C)CO)c1ccccc1 ZINC001194754911 871939727 /nfs/dbraw/zinc/93/97/27/871939727.db2.gz KDSPLPHYRAZUKF-RTWAWAEBSA-N 2 2 382.548 3.505 20 0 GHADLP C[C@H](C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H](C)CO)c1ccccc1 ZINC001194754911 871939733 /nfs/dbraw/zinc/93/97/33/871939733.db2.gz KDSPLPHYRAZUKF-RTWAWAEBSA-N 2 2 382.548 3.505 20 0 GHADLP C[N@H+](CCCO)C1CC[NH+](Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000093412989 872162588 /nfs/dbraw/zinc/16/25/88/872162588.db2.gz IQQWKAMIZGHYAT-UHFFFAOYSA-N 2 2 386.511 3.683 20 0 GHADLP C[N@@H+](CCCO)C1CC[NH+](Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000093412989 872162593 /nfs/dbraw/zinc/16/25/93/872162593.db2.gz IQQWKAMIZGHYAT-UHFFFAOYSA-N 2 2 386.511 3.683 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000477918559 872180658 /nfs/dbraw/zinc/18/06/58/872180658.db2.gz VIVZTYUSXSFAIK-SFTDATJTSA-N 2 2 392.609 3.792 20 0 GHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000093692968 872348566 /nfs/dbraw/zinc/34/85/66/872348566.db2.gz ZKZLNFPCWINREO-LJQANCHMSA-N 2 2 383.536 3.833 20 0 GHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000093692968 872348582 /nfs/dbraw/zinc/34/85/82/872348582.db2.gz ZKZLNFPCWINREO-LJQANCHMSA-N 2 2 383.536 3.833 20 0 GHADLP C[C@H](CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C[NH+]1CCCC1 ZINC000463706878 872405341 /nfs/dbraw/zinc/40/53/41/872405341.db2.gz TZFNHACJWZOHQY-QGZVFWFLSA-N 2 2 381.524 3.740 20 0 GHADLP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1OC(F)F ZINC000478272488 872763414 /nfs/dbraw/zinc/76/34/14/872763414.db2.gz LIKNVLFCZBVAPX-BXUZGUMPSA-N 2 2 377.273 3.931 20 0 GHADLP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1OC(F)F ZINC000478272488 872763426 /nfs/dbraw/zinc/76/34/26/872763426.db2.gz LIKNVLFCZBVAPX-BXUZGUMPSA-N 2 2 377.273 3.931 20 0 GHADLP C[N@H+](CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CCCCC1 ZINC000527201699 872800475 /nfs/dbraw/zinc/80/04/75/872800475.db2.gz FVZLWGSFXIENHR-UHFFFAOYSA-N 2 2 379.574 3.515 20 0 GHADLP C[N@@H+](CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CCCCC1 ZINC000527201699 872800496 /nfs/dbraw/zinc/80/04/96/872800496.db2.gz FVZLWGSFXIENHR-UHFFFAOYSA-N 2 2 379.574 3.515 20 0 GHADLP Cc1ccc([C@H](CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+]2CCCC2)cc1 ZINC000527241421 872860104 /nfs/dbraw/zinc/86/01/04/872860104.db2.gz LKWKJHCVLCYKLQ-UGKGYDQZSA-N 2 2 394.563 3.900 20 0 GHADLP Cc1ccc([C@H](CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[NH+]2CCCC2)cc1 ZINC000527241421 872860113 /nfs/dbraw/zinc/86/01/13/872860113.db2.gz LKWKJHCVLCYKLQ-UGKGYDQZSA-N 2 2 394.563 3.900 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000191897067 882661871 /nfs/dbraw/zinc/66/18/71/882661871.db2.gz KGKWTPWNHOFHHE-UHFFFAOYSA-N 2 2 376.504 3.649 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000191897067 882661876 /nfs/dbraw/zinc/66/18/76/882661876.db2.gz KGKWTPWNHOFHHE-UHFFFAOYSA-N 2 2 376.504 3.649 20 0 GHADLP C[C@@H](CNc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1)c1ccc(F)cc1 ZINC000527354617 873072107 /nfs/dbraw/zinc/07/21/07/873072107.db2.gz NTROTXZZKOWEFO-INIZCTEOSA-N 2 2 382.483 3.792 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[C@H]1c1ccccc1 ZINC000541186491 873114685 /nfs/dbraw/zinc/11/46/85/873114685.db2.gz CQELJKSFCYBLTE-FGZHOGPDSA-N 2 2 395.551 3.530 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[C@H]1c1ccccc1 ZINC000541186491 873114687 /nfs/dbraw/zinc/11/46/87/873114687.db2.gz CQELJKSFCYBLTE-FGZHOGPDSA-N 2 2 395.551 3.530 20 0 GHADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C1 ZINC000768497867 873338073 /nfs/dbraw/zinc/33/80/73/873338073.db2.gz FVMKWHZYULKTJC-JXFKEZNVSA-N 2 2 386.499 3.621 20 0 GHADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C1 ZINC000768497867 873338093 /nfs/dbraw/zinc/33/80/93/873338093.db2.gz FVMKWHZYULKTJC-JXFKEZNVSA-N 2 2 386.499 3.621 20 0 GHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C1 ZINC000768497867 873338112 /nfs/dbraw/zinc/33/81/12/873338112.db2.gz FVMKWHZYULKTJC-JXFKEZNVSA-N 2 2 386.499 3.621 20 0 GHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C1 ZINC000768497867 873338128 /nfs/dbraw/zinc/33/81/28/873338128.db2.gz FVMKWHZYULKTJC-JXFKEZNVSA-N 2 2 386.499 3.621 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cc(-c2ccccc2)n(C)n1 ZINC000527851591 873709700 /nfs/dbraw/zinc/70/97/00/873709700.db2.gz AGBRCCICDPKACY-GOSISDBHSA-N 2 2 378.520 3.878 20 0 GHADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000528148816 874087554 /nfs/dbraw/zinc/08/75/54/874087554.db2.gz PNCZXKFZTAJRJC-WIYYLYMNSA-N 2 2 399.583 3.515 20 0 GHADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000528148816 874087568 /nfs/dbraw/zinc/08/75/68/874087568.db2.gz PNCZXKFZTAJRJC-WIYYLYMNSA-N 2 2 399.583 3.515 20 0 GHADLP COc1cccc([C@@H](C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)N(C)C)c1 ZINC000449066194 874404087 /nfs/dbraw/zinc/40/40/87/874404087.db2.gz YYQNAVYZWHKLJS-NBGIEHNGSA-N 2 2 395.591 3.983 20 0 GHADLP COc1cccc([C@@H](C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)N(C)C)c1 ZINC000449066192 874404369 /nfs/dbraw/zinc/40/43/69/874404369.db2.gz YYQNAVYZWHKLJS-CJFMBICVSA-N 2 2 395.591 3.983 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(CCc2ccccc2)s1 ZINC000449052246 874424816 /nfs/dbraw/zinc/42/48/16/874424816.db2.gz YUGJWDOTUPZEAM-HLAWJBBLSA-N 2 2 385.577 3.612 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(CCc2ccccc2)s1 ZINC000449052246 874424821 /nfs/dbraw/zinc/42/48/21/874424821.db2.gz YUGJWDOTUPZEAM-HLAWJBBLSA-N 2 2 385.577 3.612 20 0 GHADLP COc1cccc2c(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)cccc12 ZINC000449093129 874492645 /nfs/dbraw/zinc/49/26/45/874492645.db2.gz VYAJZANRRVKXBN-UHFFFAOYSA-N 2 2 376.500 3.970 20 0 GHADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449184513 874576339 /nfs/dbraw/zinc/57/63/39/874576339.db2.gz IABVEACJHVYMBE-FGZHOGPDSA-N 2 2 399.604 3.786 20 0 GHADLP CCc1ccc(CN(C)C(=O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000464841459 874614880 /nfs/dbraw/zinc/61/48/80/874614880.db2.gz XODZVHFUOXGQNI-DEOSSOPVSA-N 2 2 393.575 3.661 20 0 GHADLP CCc1ccc(CN(C)C(=O)C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000464841459 874614890 /nfs/dbraw/zinc/61/48/90/874614890.db2.gz XODZVHFUOXGQNI-DEOSSOPVSA-N 2 2 393.575 3.661 20 0 GHADLP CCc1ccc(CN(C)C(=O)C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000464841459 874614901 /nfs/dbraw/zinc/61/49/01/874614901.db2.gz XODZVHFUOXGQNI-DEOSSOPVSA-N 2 2 393.575 3.661 20 0 GHADLP CCc1ccc(CN(C)C(=O)C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000464841459 874614914 /nfs/dbraw/zinc/61/49/14/874614914.db2.gz XODZVHFUOXGQNI-DEOSSOPVSA-N 2 2 393.575 3.661 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+]C1CC[NH+]([C@@H](C)Cc3ccccc3)CC1)n2C ZINC000449251420 874629416 /nfs/dbraw/zinc/62/94/16/874629416.db2.gz RTLWWCZHWKSFHW-SFHVURJKSA-N 2 2 392.547 3.767 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cnc(CCc3ccccc3)s2)CCN1C1CC[NH+](C)CC1 ZINC000449325685 874707108 /nfs/dbraw/zinc/70/71/08/874707108.db2.gz OSVUSNXRZIWRRN-LJQANCHMSA-N 2 2 398.620 3.529 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cnc(CCc3ccccc3)s2)CCN1C1CC[NH+](C)CC1 ZINC000449325685 874707116 /nfs/dbraw/zinc/70/71/16/874707116.db2.gz OSVUSNXRZIWRRN-LJQANCHMSA-N 2 2 398.620 3.529 20 0 GHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000542133165 875030450 /nfs/dbraw/zinc/03/04/50/875030450.db2.gz GAGNWCJJPNOEEH-MOPGFXCFSA-N 2 2 377.532 3.733 20 0 GHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1Cc2ccccc2[C@H]1C ZINC000542133165 875030466 /nfs/dbraw/zinc/03/04/66/875030466.db2.gz GAGNWCJJPNOEEH-MOPGFXCFSA-N 2 2 377.532 3.733 20 0 GHADLP CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475733784 882895981 /nfs/dbraw/zinc/89/59/81/882895981.db2.gz VSFGZINYXPXGOP-RUZDIDTESA-N 2 2 391.559 3.877 20 0 GHADLP CN(C)C(=O)c1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475733784 882895997 /nfs/dbraw/zinc/89/59/97/882895997.db2.gz VSFGZINYXPXGOP-RUZDIDTESA-N 2 2 391.559 3.877 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475733784 882896017 /nfs/dbraw/zinc/89/60/17/882896017.db2.gz VSFGZINYXPXGOP-RUZDIDTESA-N 2 2 391.559 3.877 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475733784 882896037 /nfs/dbraw/zinc/89/60/37/882896037.db2.gz VSFGZINYXPXGOP-RUZDIDTESA-N 2 2 391.559 3.877 20 0 GHADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000528890231 875223691 /nfs/dbraw/zinc/22/36/91/875223691.db2.gz AUYYXYBDPRALHS-RLLQIKCJSA-N 2 2 375.557 3.569 20 0 GHADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000528890231 875223704 /nfs/dbraw/zinc/22/37/04/875223704.db2.gz AUYYXYBDPRALHS-RLLQIKCJSA-N 2 2 375.557 3.569 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccsc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000528895369 875232963 /nfs/dbraw/zinc/23/29/63/875232963.db2.gz NWPKACHLLWYHDJ-BQJUDKOJSA-N 2 2 389.609 3.647 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccsc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000528895369 875232974 /nfs/dbraw/zinc/23/29/74/875232974.db2.gz NWPKACHLLWYHDJ-BQJUDKOJSA-N 2 2 389.609 3.647 20 0 GHADLP CN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475731254 882911069 /nfs/dbraw/zinc/91/10/69/882911069.db2.gz BLVHSCQZJJBADZ-VWLOTQADSA-N 2 2 391.559 3.633 20 0 GHADLP CN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475731254 882911075 /nfs/dbraw/zinc/91/10/75/882911075.db2.gz BLVHSCQZJJBADZ-VWLOTQADSA-N 2 2 391.559 3.633 20 0 GHADLP CN(Cc1ccccc1)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475731254 882911085 /nfs/dbraw/zinc/91/10/85/882911085.db2.gz BLVHSCQZJJBADZ-VWLOTQADSA-N 2 2 391.559 3.633 20 0 GHADLP CN(Cc1ccccc1)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475731254 882911092 /nfs/dbraw/zinc/91/10/92/882911092.db2.gz BLVHSCQZJJBADZ-VWLOTQADSA-N 2 2 391.559 3.633 20 0 GHADLP CCCCC[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000771767159 875473293 /nfs/dbraw/zinc/47/32/93/875473293.db2.gz WKURQEPLPDBUHD-WOJBJXKFSA-N 2 2 380.621 3.791 20 0 GHADLP CCCCC[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000771767159 875473300 /nfs/dbraw/zinc/47/33/00/875473300.db2.gz WKURQEPLPDBUHD-WOJBJXKFSA-N 2 2 380.621 3.791 20 0 GHADLP Cc1nc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000178929075 882936885 /nfs/dbraw/zinc/93/68/85/882936885.db2.gz MJRGPKWDXSLJTP-ROUUACIJSA-N 2 2 393.601 3.561 20 0 GHADLP Cc1nc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000178929075 882936894 /nfs/dbraw/zinc/93/68/94/882936894.db2.gz MJRGPKWDXSLJTP-ROUUACIJSA-N 2 2 393.601 3.561 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)C2 ZINC000476727796 882939787 /nfs/dbraw/zinc/93/97/87/882939787.db2.gz KNKPCZIRBPNLBO-DENIHFKCSA-N 2 2 396.579 3.911 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C)C2 ZINC000476727796 882939807 /nfs/dbraw/zinc/93/98/07/882939807.db2.gz KNKPCZIRBPNLBO-DENIHFKCSA-N 2 2 396.579 3.911 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)CC2 ZINC000476727796 882939819 /nfs/dbraw/zinc/93/98/19/882939819.db2.gz KNKPCZIRBPNLBO-DENIHFKCSA-N 2 2 396.579 3.911 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C)CC2 ZINC000476727796 882939831 /nfs/dbraw/zinc/93/98/31/882939831.db2.gz KNKPCZIRBPNLBO-DENIHFKCSA-N 2 2 396.579 3.911 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(Br)c1 ZINC000776155804 875630823 /nfs/dbraw/zinc/63/08/23/875630823.db2.gz ISKNKXDHESPYEW-YOEHRIQHSA-N 2 2 397.357 3.752 20 0 GHADLP CC[NH+](CC)CC[C@H](C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001202179633 876045709 /nfs/dbraw/zinc/04/57/09/876045709.db2.gz HQPLFONTOFAPHN-KRWDZBQOSA-N 2 2 381.524 3.844 20 0 GHADLP Fc1ccc([C@@H]2CC[C@H]([NH2+]Cc3ccc(OCC[NH+]4CCOCC4)cc3)C2)cc1 ZINC001202258898 876073642 /nfs/dbraw/zinc/07/36/42/876073642.db2.gz KFYMDMAQIGHLKP-GGAORHGYSA-N 2 2 398.522 3.963 20 0 GHADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001170050771 876260914 /nfs/dbraw/zinc/26/09/14/876260914.db2.gz DITATWTZCGLQHY-FUHIMQAGSA-N 2 2 384.524 3.996 20 0 GHADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)C2)C1 ZINC000529583622 876359023 /nfs/dbraw/zinc/35/90/23/876359023.db2.gz BVBYEUDXOFKMBP-KRWDZBQOSA-N 2 2 395.370 3.818 20 0 GHADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)C2)C1 ZINC000529583622 876359031 /nfs/dbraw/zinc/35/90/31/876359031.db2.gz BVBYEUDXOFKMBP-KRWDZBQOSA-N 2 2 395.370 3.818 20 0 GHADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3c[nH]nc3-c3ccc(Br)s3)C2)C1 ZINC000529583622 876359036 /nfs/dbraw/zinc/35/90/36/876359036.db2.gz BVBYEUDXOFKMBP-KRWDZBQOSA-N 2 2 395.370 3.818 20 0 GHADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(Br)s3)C2)C1 ZINC000529583622 876359042 /nfs/dbraw/zinc/35/90/42/876359042.db2.gz BVBYEUDXOFKMBP-KRWDZBQOSA-N 2 2 395.370 3.818 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000192927191 883048275 /nfs/dbraw/zinc/04/82/75/883048275.db2.gz NUWVZBIQDBZHSN-DEOSSOPVSA-N 3 2 377.576 3.805 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000192927191 883048291 /nfs/dbraw/zinc/04/82/91/883048291.db2.gz NUWVZBIQDBZHSN-DEOSSOPVSA-N 3 2 377.576 3.805 20 0 GHADLP Cc1[nH+]cc(C[NH2+]CC2(NC(=O)OC(C)(C)C)C3CC4CC(C3)CC2C4)n1C ZINC000850324499 876811491 /nfs/dbraw/zinc/81/14/91/876811491.db2.gz SSBWFKZYZQSKNQ-UHFFFAOYSA-N 2 2 388.556 3.538 20 0 GHADLP C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000850417850 876899387 /nfs/dbraw/zinc/89/93/87/876899387.db2.gz OPAZCKWSPGWKHI-QGZVFWFLSA-N 2 2 390.572 3.566 20 0 GHADLP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000850450133 876933721 /nfs/dbraw/zinc/93/37/21/876933721.db2.gz DAKSLSWUQVKWMD-QGZVFWFLSA-N 2 2 375.557 3.997 20 0 GHADLP CC[N@@H+](Cc1ccc(F)cc1C(=O)OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391611 877003027 /nfs/dbraw/zinc/00/30/27/877003027.db2.gz DVGAWEKIFZSXCN-UHFFFAOYSA-N 2 2 385.483 3.746 20 0 GHADLP CC[N@H+](Cc1ccc(F)cc1C(=O)OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391611 877003042 /nfs/dbraw/zinc/00/30/42/877003042.db2.gz DVGAWEKIFZSXCN-UHFFFAOYSA-N 2 2 385.483 3.746 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000134922059 883112041 /nfs/dbraw/zinc/11/20/41/883112041.db2.gz GPABSIFWDVUZEE-BKULYWANSA-N 2 2 381.564 3.511 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000134922059 883112047 /nfs/dbraw/zinc/11/20/47/883112047.db2.gz GPABSIFWDVUZEE-BKULYWANSA-N 2 2 381.564 3.511 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C2CC2)cc1 ZINC000134922059 883112055 /nfs/dbraw/zinc/11/20/55/883112055.db2.gz GPABSIFWDVUZEE-BKULYWANSA-N 2 2 381.564 3.511 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C2CC2)cc1 ZINC000134922059 883112063 /nfs/dbraw/zinc/11/20/63/883112063.db2.gz GPABSIFWDVUZEE-BKULYWANSA-N 2 2 381.564 3.511 20 0 GHADLP CCCOc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000174848653 877287241 /nfs/dbraw/zinc/28/72/41/877287241.db2.gz FDLHEZAZOCUHBX-UHFFFAOYSA-N 2 2 388.556 3.547 20 0 GHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCC(=O)c3ccc(Br)cc3)C2)C1 ZINC000451069726 877303806 /nfs/dbraw/zinc/30/38/06/877303806.db2.gz MKMMVEFJHFOPND-LJQANCHMSA-N 2 2 379.342 3.830 20 0 GHADLP C[N@H+]1CCC[C@@]2(CC[NH+](CCCC(=O)c3ccc(Br)cc3)C2)C1 ZINC000451069726 877303827 /nfs/dbraw/zinc/30/38/27/877303827.db2.gz MKMMVEFJHFOPND-LJQANCHMSA-N 2 2 379.342 3.830 20 0 GHADLP C[NH+]1CCC[C@@]2(CC[N@H+](CCCC(=O)c3ccc(Br)cc3)C2)C1 ZINC000451069726 877303848 /nfs/dbraw/zinc/30/38/48/877303848.db2.gz MKMMVEFJHFOPND-LJQANCHMSA-N 2 2 379.342 3.830 20 0 GHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCC(=O)c3ccc(Br)cc3)C2)C1 ZINC000451069726 877303865 /nfs/dbraw/zinc/30/38/65/877303865.db2.gz MKMMVEFJHFOPND-LJQANCHMSA-N 2 2 379.342 3.830 20 0 GHADLP CC(C)Oc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1Cl ZINC000551529044 877384815 /nfs/dbraw/zinc/38/48/15/877384815.db2.gz AGUXUWNYPBKGGT-APWZRJJASA-N 2 2 395.975 3.721 20 0 GHADLP CC(C)Oc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1Cl ZINC000551529044 877384830 /nfs/dbraw/zinc/38/48/30/877384830.db2.gz AGUXUWNYPBKGGT-APWZRJJASA-N 2 2 395.975 3.721 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793461 877435340 /nfs/dbraw/zinc/43/53/40/877435340.db2.gz ZHGYXMDPVLRUNV-GOSISDBHSA-N 2 2 381.524 3.538 20 0 GHADLP CN1C(=O)CCc2cc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)ccc21 ZINC000282148538 877535913 /nfs/dbraw/zinc/53/59/13/877535913.db2.gz SNIABXUPHCGFJP-LJQANCHMSA-N 2 2 378.520 3.508 20 0 GHADLP CN1C(=O)CCc2cc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)ccc21 ZINC000282148538 877535928 /nfs/dbraw/zinc/53/59/28/877535928.db2.gz SNIABXUPHCGFJP-LJQANCHMSA-N 2 2 378.520 3.508 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000787996241 877764934 /nfs/dbraw/zinc/76/49/34/877764934.db2.gz VLCCUBKCADYJPT-QFIPXVFZSA-N 2 2 382.508 3.848 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000787996241 877764947 /nfs/dbraw/zinc/76/49/47/877764947.db2.gz VLCCUBKCADYJPT-QFIPXVFZSA-N 2 2 382.508 3.848 20 0 GHADLP Cc1ccc([C@H](C)[N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000615463775 877778152 /nfs/dbraw/zinc/77/81/52/877778152.db2.gz NGNJMJSDXBROQR-FQEVSTJZSA-N 2 2 395.547 3.767 20 0 GHADLP Cc1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000615463775 877778162 /nfs/dbraw/zinc/77/81/62/877778162.db2.gz NGNJMJSDXBROQR-FQEVSTJZSA-N 2 2 395.547 3.767 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(Br)c1 ZINC000551805265 877824604 /nfs/dbraw/zinc/82/46/04/877824604.db2.gz DYMBAAWKQHSGMX-HNNXBMFYSA-N 2 2 397.357 3.693 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(Br)c1 ZINC000551805265 877824617 /nfs/dbraw/zinc/82/46/17/877824617.db2.gz DYMBAAWKQHSGMX-HNNXBMFYSA-N 2 2 397.357 3.693 20 0 GHADLP COc1cc(OC)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(OC)c1 ZINC000245650442 878283913 /nfs/dbraw/zinc/28/39/13/878283913.db2.gz CJCXQQUKJLJGJX-OWZKRDHZSA-N 2 2 396.531 3.998 20 0 GHADLP COc1cc(OC)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(OC)c1 ZINC000245650442 878283935 /nfs/dbraw/zinc/28/39/35/878283935.db2.gz CJCXQQUKJLJGJX-OWZKRDHZSA-N 2 2 396.531 3.998 20 0 GHADLP CN(c1ccccc1C[N@@H+]1CCO[C@@H](c2ccccc2F)C1)C1CC[NH+](C)CC1 ZINC000245698717 878420199 /nfs/dbraw/zinc/42/01/99/878420199.db2.gz CSDBWLHGKHNSFB-XMMPIXPASA-N 2 2 397.538 3.930 20 0 GHADLP CN(c1ccccc1C[N@H+]1CCO[C@@H](c2ccccc2F)C1)C1CC[NH+](C)CC1 ZINC000245698717 878420209 /nfs/dbraw/zinc/42/02/09/878420209.db2.gz CSDBWLHGKHNSFB-XMMPIXPASA-N 2 2 397.538 3.930 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245714978 878453877 /nfs/dbraw/zinc/45/38/77/878453877.db2.gz GSOKPALUXTYDIT-LIRRHRJNSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245714978 878453883 /nfs/dbraw/zinc/45/38/83/878453883.db2.gz GSOKPALUXTYDIT-LIRRHRJNSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245714978 878453892 /nfs/dbraw/zinc/45/38/92/878453892.db2.gz GSOKPALUXTYDIT-LIRRHRJNSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245714978 878453898 /nfs/dbraw/zinc/45/38/98/878453898.db2.gz GSOKPALUXTYDIT-LIRRHRJNSA-N 2 2 391.357 3.858 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC000176891917 878467568 /nfs/dbraw/zinc/46/75/68/878467568.db2.gz UHTGIMSKWPOEGE-XLIONFOSSA-N 2 2 396.535 3.511 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000176891917 878467580 /nfs/dbraw/zinc/46/75/80/878467580.db2.gz UHTGIMSKWPOEGE-XLIONFOSSA-N 2 2 396.535 3.511 20 0 GHADLP Cc1cn2cc(NC(=O)N(C)c3ccc(OCC[NH+]4CCCC4)cc3)ccc2[nH+]1 ZINC000653965294 878531698 /nfs/dbraw/zinc/53/16/98/878531698.db2.gz DODHEXHUHPSFEI-UHFFFAOYSA-N 2 2 393.491 3.786 20 0 GHADLP Cc1cc2oc(=O)cc(C[N@@H+]3CCO[C@H](CCC[NH+](C)C)C3)c2cc1C(C)C ZINC000852760369 878582283 /nfs/dbraw/zinc/58/22/83/878582283.db2.gz DLPOYHJOVMPLFI-LJQANCHMSA-N 2 2 386.536 3.767 20 0 GHADLP Cc1cc2oc(=O)cc(C[N@H+]3CCO[C@H](CCC[NH+](C)C)C3)c2cc1C(C)C ZINC000852760369 878582296 /nfs/dbraw/zinc/58/22/96/878582296.db2.gz DLPOYHJOVMPLFI-LJQANCHMSA-N 2 2 386.536 3.767 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000530840398 878591167 /nfs/dbraw/zinc/59/11/67/878591167.db2.gz BXHIPQGDYSOFFO-FQEVSTJZSA-N 2 2 397.910 3.628 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000245786806 878591145 /nfs/dbraw/zinc/59/11/45/878591145.db2.gz MZCNQXQKJHERMJ-VAMGGRTRSA-N 2 2 386.584 3.513 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000245786806 878591166 /nfs/dbraw/zinc/59/11/66/878591166.db2.gz MZCNQXQKJHERMJ-VAMGGRTRSA-N 2 2 386.584 3.513 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000538100372 878809299 /nfs/dbraw/zinc/80/92/99/878809299.db2.gz FGJJOEYWXZWGFN-OALUTQOASA-N 2 2 398.378 3.977 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000538100372 878809307 /nfs/dbraw/zinc/80/93/07/878809307.db2.gz FGJJOEYWXZWGFN-OALUTQOASA-N 2 2 398.378 3.977 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(Cl)ccc1Cl ZINC000177827973 878872464 /nfs/dbraw/zinc/87/24/64/878872464.db2.gz VKWHLZIGGGBCJS-CQSZACIVSA-N 2 2 379.335 3.991 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000538261487 879105315 /nfs/dbraw/zinc/10/53/15/879105315.db2.gz VOJUTWCUKDBBNP-VWPQPMDRSA-N 3 2 385.596 3.932 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000538261487 879105325 /nfs/dbraw/zinc/10/53/25/879105325.db2.gz VOJUTWCUKDBBNP-VWPQPMDRSA-N 3 2 385.596 3.932 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000531105505 879141284 /nfs/dbraw/zinc/14/12/84/879141284.db2.gz LYSDMMWFQPNSJX-VXKWHMMOSA-N 2 2 385.596 3.786 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000531105505 879141296 /nfs/dbraw/zinc/14/12/96/879141296.db2.gz LYSDMMWFQPNSJX-VXKWHMMOSA-N 2 2 385.596 3.786 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc2ccccc2c1 ZINC000246318504 879386124 /nfs/dbraw/zinc/38/61/24/879386124.db2.gz RKANIMWWIHUIRG-NPPFBWRTSA-N 2 2 376.504 3.797 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc2ccccc2c1 ZINC000246318504 879386134 /nfs/dbraw/zinc/38/61/34/879386134.db2.gz RKANIMWWIHUIRG-NPPFBWRTSA-N 2 2 376.504 3.797 20 0 GHADLP CC(C)c1ccc([C@H]2CCC[N@@H+]2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790372250 879676355 /nfs/dbraw/zinc/67/63/55/879676355.db2.gz NCZROYGPVCNINT-FYYLOGMGSA-N 2 2 383.536 3.821 20 0 GHADLP CC(C)c1ccc([C@H]2CCC[N@H+]2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790372250 879676362 /nfs/dbraw/zinc/67/63/62/879676362.db2.gz NCZROYGPVCNINT-FYYLOGMGSA-N 2 2 383.536 3.821 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000538556500 879708028 /nfs/dbraw/zinc/70/80/28/879708028.db2.gz CPFPOBBXTHSWRJ-QAPCUYQASA-N 2 2 393.535 3.625 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000531427501 879817384 /nfs/dbraw/zinc/81/73/84/879817384.db2.gz XHTQVQPYSBLSCY-OAQYLSRUSA-N 2 2 390.487 3.978 20 0 GHADLP C[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247073562 879910154 /nfs/dbraw/zinc/91/01/54/879910154.db2.gz OKELUYPXYOGQIR-IAGOWNOFSA-N 2 2 377.960 3.655 20 0 GHADLP C[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000247073562 879910172 /nfs/dbraw/zinc/91/01/72/879910172.db2.gz OKELUYPXYOGQIR-IAGOWNOFSA-N 2 2 377.960 3.655 20 0 GHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000140391333 879953793 /nfs/dbraw/zinc/95/37/93/879953793.db2.gz DYEBLRPPDOEUQP-OALUTQOASA-N 2 2 397.567 3.514 20 0 GHADLP Brc1ccc2[nH]c(C[NH+]3CCC(C[NH+]4CCCC4)CC3)nc2c1 ZINC000184947933 880427280 /nfs/dbraw/zinc/42/72/80/880427280.db2.gz OIEWZFNUFCRZDY-UHFFFAOYSA-N 2 2 377.330 3.633 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ncc(-c2ccccc2)n1C ZINC000453167494 880567917 /nfs/dbraw/zinc/56/79/17/880567917.db2.gz CSPDKDYBQKCHSL-XLIONFOSSA-N 2 2 390.535 3.796 20 0 GHADLP C[C@@H]1C[C@@H](CC[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000453183490 880585407 /nfs/dbraw/zinc/58/54/07/880585407.db2.gz YTCIWERBLVXCNZ-LYHRCORUSA-N 2 2 393.510 3.924 20 0 GHADLP C[C@@H]1C[C@@H](CC[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000453183490 880585413 /nfs/dbraw/zinc/58/54/13/880585413.db2.gz YTCIWERBLVXCNZ-LYHRCORUSA-N 2 2 393.510 3.924 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc(C)c3Cl)CC2)CC1 ZINC000643261671 912584302 /nfs/dbraw/zinc/58/43/02/912584302.db2.gz RBEZAIYTBUWIQA-UHFFFAOYSA-N 2 2 378.948 3.672 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc(C)c3Cl)CC2)CC1 ZINC000643261671 912584318 /nfs/dbraw/zinc/58/43/18/912584318.db2.gz RBEZAIYTBUWIQA-UHFFFAOYSA-N 2 2 378.948 3.672 20 0 GHADLP C[C@@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000531943970 880763752 /nfs/dbraw/zinc/76/37/52/880763752.db2.gz MJHBRSAMOMZOJW-GCJKJVERSA-N 2 2 378.520 3.801 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCc4ccc(O)cc43)CC2)cc1 ZINC000453323284 880795578 /nfs/dbraw/zinc/79/55/78/880795578.db2.gz JGXZZAYBHRIODN-DEOSSOPVSA-N 2 2 393.531 3.982 20 0 GHADLP C[C@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531942534 880799509 /nfs/dbraw/zinc/79/95/09/880799509.db2.gz ZKOMDBUFZZKMQI-AVRDEDQJSA-N 2 2 378.520 3.801 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000792282153 881011472 /nfs/dbraw/zinc/01/14/72/881011472.db2.gz ODBLWAIDERKEGY-PKOBYXMFSA-N 2 2 384.524 3.916 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000792282153 881011489 /nfs/dbraw/zinc/01/14/89/881011489.db2.gz ODBLWAIDERKEGY-PKOBYXMFSA-N 2 2 384.524 3.916 20 0 GHADLP CC[C@@H]1C[C@@H]([N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001170224332 881263357 /nfs/dbraw/zinc/26/33/57/881263357.db2.gz VELQWHXGDBWUHQ-ZCNNSNEGSA-N 2 2 379.495 3.572 20 0 GHADLP CC[C@@H]1C[C@@H]([N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001170224332 881263370 /nfs/dbraw/zinc/26/33/70/881263370.db2.gz VELQWHXGDBWUHQ-ZCNNSNEGSA-N 2 2 379.495 3.572 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001170224332 881263382 /nfs/dbraw/zinc/26/33/82/881263382.db2.gz VELQWHXGDBWUHQ-ZCNNSNEGSA-N 2 2 379.495 3.572 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001170224332 881263402 /nfs/dbraw/zinc/26/34/02/881263402.db2.gz VELQWHXGDBWUHQ-ZCNNSNEGSA-N 2 2 379.495 3.572 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H](C)Cc3ccccc3Cl)CC2)C1 ZINC001170295892 881315636 /nfs/dbraw/zinc/31/56/36/881315636.db2.gz XDHRWQZVMJBXTN-FUHWJXTLSA-N 2 2 378.944 3.620 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)Cc3ccccc3Cl)CC2)C1 ZINC001170295892 881315655 /nfs/dbraw/zinc/31/56/55/881315655.db2.gz XDHRWQZVMJBXTN-FUHWJXTLSA-N 2 2 378.944 3.620 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)C[C@H]1c1ccccc1 ZINC000551084250 883258802 /nfs/dbraw/zinc/25/88/02/883258802.db2.gz UFMLWBHCKIDKRX-DSKINZAPSA-N 2 2 383.923 3.870 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)C[C@H]1c1ccccc1 ZINC000551084250 883258816 /nfs/dbraw/zinc/25/88/16/883258816.db2.gz UFMLWBHCKIDKRX-DSKINZAPSA-N 2 2 383.923 3.870 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000859157079 883626728 /nfs/dbraw/zinc/62/67/28/883626728.db2.gz YDYNVDFSVYYYCJ-GXRSIYKFSA-N 4 2 396.740 3.524 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000859157079 883626737 /nfs/dbraw/zinc/62/67/37/883626737.db2.gz YDYNVDFSVYYYCJ-GXRSIYKFSA-N 4 2 396.740 3.524 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC[NH+]1C ZINC000859157079 883626744 /nfs/dbraw/zinc/62/67/44/883626744.db2.gz YDYNVDFSVYYYCJ-GXRSIYKFSA-N 4 2 396.740 3.524 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC[NH+]1C ZINC000859157079 883626750 /nfs/dbraw/zinc/62/67/50/883626750.db2.gz YDYNVDFSVYYYCJ-GXRSIYKFSA-N 4 2 396.740 3.524 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](C[C@@H]3CCOC3)c3ccc(F)cc3)[nH+]c2)C1 ZINC000494831001 884031351 /nfs/dbraw/zinc/03/13/51/884031351.db2.gz WOQTUSMGTWGRMC-WTOYTKOKSA-N 2 2 398.526 3.941 20 0 GHADLP CC[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496724 884302561 /nfs/dbraw/zinc/30/25/61/884302561.db2.gz LCHCAVMDUFBETH-UHZRXMQZSA-N 2 2 379.589 3.969 20 0 GHADLP CC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496724 884302580 /nfs/dbraw/zinc/30/25/80/884302580.db2.gz LCHCAVMDUFBETH-UHZRXMQZSA-N 2 2 379.589 3.969 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496724 884302598 /nfs/dbraw/zinc/30/25/98/884302598.db2.gz LCHCAVMDUFBETH-UHZRXMQZSA-N 2 2 379.589 3.969 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496724 884302618 /nfs/dbraw/zinc/30/26/18/884302618.db2.gz LCHCAVMDUFBETH-UHZRXMQZSA-N 2 2 379.589 3.969 20 0 GHADLP COc1ccc2c(c1)[C@H](Nc1ccc(N3CCC([NH+](C)C)CC3)c[nH+]1)CCCO2 ZINC000537486108 884568639 /nfs/dbraw/zinc/56/86/39/884568639.db2.gz FMCYSMTVRMKLPW-OAQYLSRUSA-N 2 2 396.535 3.946 20 0 GHADLP Ic1ccccc1[C@H]1CCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000556366701 884611421 /nfs/dbraw/zinc/61/14/21/884611421.db2.gz NVTPXWPWEODROH-QGZVFWFLSA-N 2 2 384.305 3.914 20 0 GHADLP Ic1ccccc1[C@H]1CCC[N@H+]1CCC[NH+]1CCCC1 ZINC000556366701 884611428 /nfs/dbraw/zinc/61/14/28/884611428.db2.gz NVTPXWPWEODROH-QGZVFWFLSA-N 2 2 384.305 3.914 20 0 GHADLP Cc1cn(C(C)(C)C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)c[nH+]1 ZINC000898299192 884718361 /nfs/dbraw/zinc/71/83/61/884718361.db2.gz JZFAWJHCAPHRJC-UHFFFAOYSA-N 2 2 394.563 3.831 20 0 GHADLP C[NH+](C)Cc1cccc(NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000044292715 884813165 /nfs/dbraw/zinc/81/31/65/884813165.db2.gz BFPHFBWFDYXYCN-YRNVUSSQSA-N 2 2 378.520 3.611 20 0 GHADLP Brc1cc2cccnc2c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151335523 884978170 /nfs/dbraw/zinc/97/81/70/884978170.db2.gz NSLRAJFYBMVYNC-UHFFFAOYSA-N 2 2 383.293 3.715 20 0 GHADLP C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000131103383 885523340 /nfs/dbraw/zinc/52/33/40/885523340.db2.gz YWQSPSYEGXHDKF-AUSIDOKSSA-N 2 2 388.515 3.757 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]1c1ccccc1 ZINC000550622940 885551718 /nfs/dbraw/zinc/55/17/18/885551718.db2.gz QXDKNGLJOPPRKJ-ZWKOTPCHSA-N 2 2 379.426 3.948 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]1c1ccccc1 ZINC000550622940 885551725 /nfs/dbraw/zinc/55/17/25/885551725.db2.gz QXDKNGLJOPPRKJ-ZWKOTPCHSA-N 2 2 379.426 3.948 20 0 GHADLP COC(=O)C(C)(C)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001184106024 913004340 /nfs/dbraw/zinc/00/43/40/913004340.db2.gz ISQDUNVYKVSCSO-FCHUYYIVSA-N 2 2 380.532 3.834 20 0 GHADLP COC(=O)C(C)(C)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001184106024 913004352 /nfs/dbraw/zinc/00/43/52/913004352.db2.gz ISQDUNVYKVSCSO-FCHUYYIVSA-N 2 2 380.532 3.834 20 0 GHADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000499050998 886466100 /nfs/dbraw/zinc/46/61/00/886466100.db2.gz BNJFNGNDSCOKOW-QGZVFWFLSA-N 2 2 381.307 3.992 20 0 GHADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000499050998 886466104 /nfs/dbraw/zinc/46/61/04/886466104.db2.gz BNJFNGNDSCOKOW-QGZVFWFLSA-N 2 2 381.307 3.992 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000762749847 886793718 /nfs/dbraw/zinc/79/37/18/886793718.db2.gz TUWTYSAJDFWCLP-MTQWCTHYSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000762749847 886793725 /nfs/dbraw/zinc/79/37/25/886793725.db2.gz TUWTYSAJDFWCLP-MTQWCTHYSA-N 2 2 377.573 3.629 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134888528 887923033 /nfs/dbraw/zinc/92/30/33/887923033.db2.gz YMZAPESHLQVQTB-DNVFCKCGSA-N 2 2 396.579 3.563 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134888528 887923035 /nfs/dbraw/zinc/92/30/35/887923035.db2.gz YMZAPESHLQVQTB-DNVFCKCGSA-N 2 2 396.579 3.563 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134888528 887923038 /nfs/dbraw/zinc/92/30/38/887923038.db2.gz YMZAPESHLQVQTB-DNVFCKCGSA-N 2 2 396.579 3.563 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134888528 887923041 /nfs/dbraw/zinc/92/30/41/887923041.db2.gz YMZAPESHLQVQTB-DNVFCKCGSA-N 2 2 396.579 3.563 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)C1 ZINC000810018918 888085792 /nfs/dbraw/zinc/08/57/92/888085792.db2.gz TVIWBDYVFNGYSY-LJQANCHMSA-N 2 2 382.549 3.670 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)C1 ZINC000810018918 888085804 /nfs/dbraw/zinc/08/58/04/888085804.db2.gz TVIWBDYVFNGYSY-LJQANCHMSA-N 2 2 382.549 3.670 20 0 GHADLP CN(C)c1ccc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)[nH+]c1 ZINC001170595267 888124658 /nfs/dbraw/zinc/12/46/58/888124658.db2.gz IYIXLNUWXKCKQZ-HSZRJFAPSA-N 2 2 390.531 3.623 20 0 GHADLP Clc1ccc(N2CCC[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)c(Cl)c1 ZINC000655760447 888452851 /nfs/dbraw/zinc/45/28/51/888452851.db2.gz QGEMDVCNMKVSQW-ROUUACIJSA-N 2 2 398.378 3.805 20 0 GHADLP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282135078 888600534 /nfs/dbraw/zinc/60/05/34/888600534.db2.gz RPJHYJCHCPWZKX-RDJZCZTQSA-N 2 2 378.480 3.605 20 0 GHADLP C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282135078 888600540 /nfs/dbraw/zinc/60/05/40/888600540.db2.gz RPJHYJCHCPWZKX-RDJZCZTQSA-N 2 2 378.480 3.605 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(C)c1 ZINC000532753371 888883085 /nfs/dbraw/zinc/88/30/85/888883085.db2.gz HPCIXGSGVUDRPD-UNMCSNQZSA-N 2 2 395.551 3.511 20 0 GHADLP Cc1cccn2cc(CC(=O)NCC[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000532794957 889004296 /nfs/dbraw/zinc/00/42/96/889004296.db2.gz DNPGVLUZQHQJLV-TZIWHRDSSA-N 2 2 390.531 3.602 20 0 GHADLP Cc1cccn2cc(CC(=O)NCC[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000532794957 889004301 /nfs/dbraw/zinc/00/43/01/889004301.db2.gz DNPGVLUZQHQJLV-TZIWHRDSSA-N 2 2 390.531 3.602 20 0 GHADLP Cc1cc(C)c(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c[nH+]1 ZINC000454648451 889462146 /nfs/dbraw/zinc/46/21/46/889462146.db2.gz KAKKDPYRBGDOPZ-UHFFFAOYSA-N 2 2 384.549 3.611 20 0 GHADLP CN(C(=O)CSc1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124811909 889774303 /nfs/dbraw/zinc/77/43/03/889774303.db2.gz XBUVXQTVASNKRD-RTWAWAEBSA-N 2 2 389.609 3.574 20 0 GHADLP CN(C(=O)CSc1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124811909 889774318 /nfs/dbraw/zinc/77/43/18/889774318.db2.gz XBUVXQTVASNKRD-RTWAWAEBSA-N 2 2 389.609 3.574 20 0 GHADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C1 ZINC000533106736 889783285 /nfs/dbraw/zinc/78/32/85/889783285.db2.gz YWYIOWLOGHXTHP-IFMALSPDSA-N 2 2 397.950 3.525 20 0 GHADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C1 ZINC000533106736 889783295 /nfs/dbraw/zinc/78/32/95/889783295.db2.gz YWYIOWLOGHXTHP-IFMALSPDSA-N 2 2 397.950 3.525 20 0 GHADLP Cc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1F ZINC000124884562 889803186 /nfs/dbraw/zinc/80/31/86/889803186.db2.gz JVXYXPDPTLITPJ-VQTJNVASSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1F ZINC000124884562 889803193 /nfs/dbraw/zinc/80/31/93/889803193.db2.gz JVXYXPDPTLITPJ-VQTJNVASSA-N 2 2 375.532 3.543 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC1 ZINC000125222431 889914830 /nfs/dbraw/zinc/91/48/30/889914830.db2.gz XERCNXZEWTWZRR-UHFFFAOYSA-N 2 2 381.520 3.864 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC1 ZINC000125222431 889914842 /nfs/dbraw/zinc/91/48/42/889914842.db2.gz XERCNXZEWTWZRR-UHFFFAOYSA-N 2 2 381.520 3.864 20 0 GHADLP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccn(-c3ccn4cc[nH+]c4c3)c3nccc2-3)cc1 ZINC001170666500 890421031 /nfs/dbraw/zinc/42/10/31/890421031.db2.gz WXHFEWHJHDFMRR-OAHLLOKOSA-N 2 2 396.454 3.897 20 0 GHADLP CC[N@H+](Cc1nccn1C(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533396032 890455917 /nfs/dbraw/zinc/45/59/17/890455917.db2.gz ISEXXCYBPQZLJQ-UHFFFAOYSA-N 2 2 392.498 3.991 20 0 GHADLP CC[N@@H+](Cc1nccn1C(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533396032 890455920 /nfs/dbraw/zinc/45/59/20/890455920.db2.gz ISEXXCYBPQZLJQ-UHFFFAOYSA-N 2 2 392.498 3.991 20 0 GHADLP O=C(CC[NH2+]CC1CC1)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000870882060 890560889 /nfs/dbraw/zinc/56/08/89/890560889.db2.gz URPQSOYZSGBELP-UHFFFAOYSA-N 2 2 388.515 3.604 20 0 GHADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000126736767 890671917 /nfs/dbraw/zinc/67/19/17/890671917.db2.gz JCTMDTRRUAVSMU-QGZVFWFLSA-N 2 2 387.955 3.947 20 0 GHADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126736767 890671924 /nfs/dbraw/zinc/67/19/24/890671924.db2.gz JCTMDTRRUAVSMU-QGZVFWFLSA-N 2 2 387.955 3.947 20 0 GHADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)[C@H](C)c3ccccc3F)cc2)CC1 ZINC000917063653 890910967 /nfs/dbraw/zinc/91/09/67/890910967.db2.gz DJJOULVKXVTUDH-GOSISDBHSA-N 2 2 398.526 3.599 20 0 GHADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@H](C)c3ccccc3F)cc2)CC1 ZINC000917063653 890910980 /nfs/dbraw/zinc/91/09/80/890910980.db2.gz DJJOULVKXVTUDH-GOSISDBHSA-N 2 2 398.526 3.599 20 0 GHADLP CCCCSCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648725 891043772 /nfs/dbraw/zinc/04/37/72/891043772.db2.gz QYBQPPGUHNMMQB-VQTJNVASSA-N 2 2 383.646 3.705 20 0 GHADLP CCCCSCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648725 891043788 /nfs/dbraw/zinc/04/37/88/891043788.db2.gz QYBQPPGUHNMMQB-VQTJNVASSA-N 2 2 383.646 3.705 20 0 GHADLP Cc1cc(C)c(NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)c(C)[nH+]1 ZINC000455500058 891059552 /nfs/dbraw/zinc/05/95/52/891059552.db2.gz SPVGTDXRADNZGL-UHFFFAOYSA-N 2 2 396.535 3.846 20 0 GHADLP CO[C@@H](C)c1nc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000246368001 891077121 /nfs/dbraw/zinc/07/71/21/891077121.db2.gz NNZPPYVITBRPMC-BBWFWOEESA-N 2 2 381.586 3.562 20 0 GHADLP CO[C@@H](C)c1nc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000246368001 891077133 /nfs/dbraw/zinc/07/71/33/891077133.db2.gz NNZPPYVITBRPMC-BBWFWOEESA-N 2 2 381.586 3.562 20 0 GHADLP CC(C)(C)OC(=O)Nc1cc(F)cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000872124860 891170437 /nfs/dbraw/zinc/17/04/37/891170437.db2.gz KCVLZKWGVSKGPG-IBGZPJMESA-N 2 2 393.503 3.516 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123966340 891195714 /nfs/dbraw/zinc/19/57/14/891195714.db2.gz OCNUKMMIOQBWHZ-OXQOHEQNSA-N 2 2 392.906 3.573 20 0 GHADLP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123966340 891195783 /nfs/dbraw/zinc/19/57/83/891195783.db2.gz OCNUKMMIOQBWHZ-OXQOHEQNSA-N 2 2 392.906 3.573 20 0 GHADLP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000246864551 891316720 /nfs/dbraw/zinc/31/67/20/891316720.db2.gz CQQFYZBCXZNUGT-WZONZLPQSA-N 2 2 389.547 3.884 20 0 GHADLP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000246864551 891316739 /nfs/dbraw/zinc/31/67/39/891316739.db2.gz CQQFYZBCXZNUGT-WZONZLPQSA-N 2 2 389.547 3.884 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000246904430 891321786 /nfs/dbraw/zinc/32/17/86/891321786.db2.gz GBGKSSJMJAAJLP-WZONZLPQSA-N 2 2 392.547 3.820 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000246904430 891321796 /nfs/dbraw/zinc/32/17/96/891321796.db2.gz GBGKSSJMJAAJLP-WZONZLPQSA-N 2 2 392.547 3.820 20 0 GHADLP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000247885168 891399237 /nfs/dbraw/zinc/39/92/37/891399237.db2.gz CUOKMKTYMRJRNH-PGRDOPGGSA-N 2 2 380.536 3.676 20 0 GHADLP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000247885168 891399259 /nfs/dbraw/zinc/39/92/59/891399259.db2.gz CUOKMKTYMRJRNH-PGRDOPGGSA-N 2 2 380.536 3.676 20 0 GHADLP C[C@@H](c1ccccc1Br)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000497486447 891682041 /nfs/dbraw/zinc/68/20/41/891682041.db2.gz AVPORFRYHCUDIH-XNHLSEOASA-N 2 2 392.385 3.753 20 0 GHADLP C[C@@H](c1ccccc1Br)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000497486447 891682045 /nfs/dbraw/zinc/68/20/45/891682045.db2.gz AVPORFRYHCUDIH-XNHLSEOASA-N 2 2 392.385 3.753 20 0 GHADLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000815058906 893363852 /nfs/dbraw/zinc/36/38/52/893363852.db2.gz YLBKJPIKOWWVIP-GUYCJALGSA-N 2 2 389.765 3.584 20 0 GHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000815058906 893363868 /nfs/dbraw/zinc/36/38/68/893363868.db2.gz YLBKJPIKOWWVIP-GUYCJALGSA-N 2 2 389.765 3.584 20 0 GHADLP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000815058906 893363886 /nfs/dbraw/zinc/36/38/86/893363886.db2.gz YLBKJPIKOWWVIP-GUYCJALGSA-N 2 2 389.765 3.584 20 0 GHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000815058906 893363901 /nfs/dbraw/zinc/36/39/01/893363901.db2.gz YLBKJPIKOWWVIP-GUYCJALGSA-N 2 2 389.765 3.584 20 0 GHADLP O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCCCC[NH2+]1 ZINC000563198069 893471186 /nfs/dbraw/zinc/47/11/86/893471186.db2.gz BZTWBLXYOUWWCJ-QHCPKHFHSA-N 2 2 388.515 3.747 20 0 GHADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000444789588 893511329 /nfs/dbraw/zinc/51/13/29/893511329.db2.gz FGWGTWSNRNWASJ-GHTZIAJQSA-N 2 2 382.552 3.675 20 0 GHADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000444789588 893511343 /nfs/dbraw/zinc/51/13/43/893511343.db2.gz FGWGTWSNRNWASJ-GHTZIAJQSA-N 2 2 382.552 3.675 20 0 GHADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444791343 893530725 /nfs/dbraw/zinc/53/07/25/893530725.db2.gz AZIJBGGDQLNJRL-KGLIPLIRSA-N 2 2 396.413 3.525 20 0 GHADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444791343 893530741 /nfs/dbraw/zinc/53/07/41/893530741.db2.gz AZIJBGGDQLNJRL-KGLIPLIRSA-N 2 2 396.413 3.525 20 0 GHADLP Cc1ccc(C[N@H+](CCc2c[nH+]cn2C)C[C@H]2CCCO2)c(Br)c1 ZINC000459455397 893560301 /nfs/dbraw/zinc/56/03/01/893560301.db2.gz YZLCJGDAASHXFL-GOSISDBHSA-N 2 2 392.341 3.715 20 0 GHADLP Cc1ccc(C[N@@H+](CCc2c[nH+]cn2C)C[C@H]2CCCO2)c(Br)c1 ZINC000459455397 893560317 /nfs/dbraw/zinc/56/03/17/893560317.db2.gz YZLCJGDAASHXFL-GOSISDBHSA-N 2 2 392.341 3.715 20 0 GHADLP [NH3+][C@@H](C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1)C1CCCC1 ZINC000877444382 893604915 /nfs/dbraw/zinc/60/49/15/893604915.db2.gz JUIKYOYLFIOSOZ-OFNKIYASSA-N 2 2 394.563 3.620 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000563352979 893655593 /nfs/dbraw/zinc/65/55/93/893655593.db2.gz LVBSBBZDBNWSOX-CYBMUJFWSA-N 2 2 387.281 3.827 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000563352979 893655598 /nfs/dbraw/zinc/65/55/98/893655598.db2.gz LVBSBBZDBNWSOX-CYBMUJFWSA-N 2 2 387.281 3.827 20 0 GHADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000563406893 893696909 /nfs/dbraw/zinc/69/69/09/893696909.db2.gz CYVNAUZBVZFWNW-XMSQKQJNSA-N 2 2 394.563 3.738 20 0 GHADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000563406893 893696913 /nfs/dbraw/zinc/69/69/13/893696913.db2.gz CYVNAUZBVZFWNW-XMSQKQJNSA-N 2 2 394.563 3.738 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000536856613 893945237 /nfs/dbraw/zinc/94/52/37/893945237.db2.gz HGDJLBGYMFTTJA-FXAWDEMLSA-N 2 2 393.560 3.643 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000536856613 893945249 /nfs/dbraw/zinc/94/52/49/893945249.db2.gz HGDJLBGYMFTTJA-FXAWDEMLSA-N 2 2 393.560 3.643 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)CC2)cc1 ZINC000556158920 894003655 /nfs/dbraw/zinc/00/36/55/894003655.db2.gz UDYWZCNECHJBFB-ZFGGDYGUSA-N 2 2 399.579 3.794 20 0 GHADLP COc1cc2ccccc2cc1-c1nnc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)o1 ZINC000878302870 894178939 /nfs/dbraw/zinc/17/89/39/894178939.db2.gz ZKVASPMUFGDUKU-KRWDZBQOSA-N 2 2 389.459 3.621 20 0 GHADLP COc1cc2ccccc2cc1-c1nnc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)o1 ZINC000878302870 894178952 /nfs/dbraw/zinc/17/89/52/894178952.db2.gz ZKVASPMUFGDUKU-KRWDZBQOSA-N 2 2 389.459 3.621 20 0 GHADLP CC(C)[C@@H](CCc1ccccc1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645398765 913875172 /nfs/dbraw/zinc/87/51/72/913875172.db2.gz LLMVYGRXQAKGCD-XZOQPEGZSA-N 2 2 385.596 3.518 20 0 GHADLP CC(C)[C@@H](CCc1ccccc1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645398765 913875177 /nfs/dbraw/zinc/87/51/77/913875177.db2.gz LLMVYGRXQAKGCD-XZOQPEGZSA-N 2 2 385.596 3.518 20 0 GHADLP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000645412476 913883949 /nfs/dbraw/zinc/88/39/49/913883949.db2.gz SAVBQDVLWAZIRN-PFATUAPWSA-N 2 2 392.591 3.622 20 0 GHADLP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000645412476 913883967 /nfs/dbraw/zinc/88/39/67/913883967.db2.gz SAVBQDVLWAZIRN-PFATUAPWSA-N 2 2 392.591 3.622 20 0 GHADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816554331 894939875 /nfs/dbraw/zinc/93/98/75/894939875.db2.gz VJVNLQLPYOAVSI-APWZRJJASA-N 2 2 384.524 3.549 20 0 GHADLP CC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(OC)c(OC)c1 ZINC000537456204 895026006 /nfs/dbraw/zinc/02/60/06/895026006.db2.gz SJLDBSFADNTYLP-OALUTQOASA-N 2 2 384.524 3.802 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000536834835 895085066 /nfs/dbraw/zinc/08/50/66/895085066.db2.gz YGHVQEGHKXNAMY-CYFREDJKSA-N 2 2 387.531 3.971 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc4ccccc4c3)CC2)CC1 ZINC000817296055 895469927 /nfs/dbraw/zinc/46/99/27/895469927.db2.gz GZZFRBKNZREEGG-UHFFFAOYSA-N 2 2 380.536 3.864 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc4ccccc4c3)CC2)CC1 ZINC000817296055 895469939 /nfs/dbraw/zinc/46/99/39/895469939.db2.gz GZZFRBKNZREEGG-UHFFFAOYSA-N 2 2 380.536 3.864 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261072 895598045 /nfs/dbraw/zinc/59/80/45/895598045.db2.gz HQSNGCQTPNSZMQ-GJZGRUSLSA-N 2 2 392.425 3.638 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261072 895598054 /nfs/dbraw/zinc/59/80/54/895598054.db2.gz HQSNGCQTPNSZMQ-GJZGRUSLSA-N 2 2 392.425 3.638 20 0 GHADLP CC[NH+](CC)Cc1nc(C2([NH2+][C@@H]3CCc4cccnc4CC3)CCCC2)no1 ZINC000817581984 895752186 /nfs/dbraw/zinc/75/21/86/895752186.db2.gz XICBMJKAGWRWHO-GOSISDBHSA-N 2 2 383.540 3.613 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C(\C)c3cccc(Cl)c3)CC2)CC1 ZINC000817658667 895795916 /nfs/dbraw/zinc/79/59/16/895795916.db2.gz INEYKRRXKGTOEC-FBMGVBCBSA-N 2 2 389.971 3.762 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C(\C)c3cccc(Cl)c3)CC2)CC1 ZINC000817658667 895795920 /nfs/dbraw/zinc/79/59/20/895795920.db2.gz INEYKRRXKGTOEC-FBMGVBCBSA-N 2 2 389.971 3.762 20 0 GHADLP COc1ccc([C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C(C)C)c(Br)c1 ZINC000565862683 895941272 /nfs/dbraw/zinc/94/12/72/895941272.db2.gz BNWWTXGHDQNINP-IBGZPJMESA-N 2 2 399.373 3.591 20 0 GHADLP O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000565949114 896003994 /nfs/dbraw/zinc/00/39/94/896003994.db2.gz NXNNPULABRLGBV-GOSISDBHSA-N 2 2 399.564 3.598 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129364113 896601110 /nfs/dbraw/zinc/60/11/10/896601110.db2.gz ONCZNPUYGYYPTM-CJNGLKHVSA-N 2 2 380.464 3.719 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129364113 896601119 /nfs/dbraw/zinc/60/11/19/896601119.db2.gz ONCZNPUYGYYPTM-CJNGLKHVSA-N 2 2 380.464 3.719 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000289255082 914113194 /nfs/dbraw/zinc/11/31/94/914113194.db2.gz BTOLITNGLMSTHC-HNNXBMFYSA-N 2 2 386.483 3.511 20 0 GHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000289255082 914113197 /nfs/dbraw/zinc/11/31/97/914113197.db2.gz BTOLITNGLMSTHC-HNNXBMFYSA-N 2 2 386.483 3.511 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ncc(C3OCCO3)s2)CC1 ZINC000289268731 914118451 /nfs/dbraw/zinc/11/84/51/914118451.db2.gz DVBZKUYXJHVMSK-UHFFFAOYSA-N 2 2 387.549 3.533 20 0 GHADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ncc(C3OCCO3)s2)CC1 ZINC000289268731 914118457 /nfs/dbraw/zinc/11/84/57/914118457.db2.gz DVBZKUYXJHVMSK-UHFFFAOYSA-N 2 2 387.549 3.533 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000130775227 897213985 /nfs/dbraw/zinc/21/39/85/897213985.db2.gz UOJXENVGSWLNCL-UHFFFAOYSA-N 2 2 383.540 3.533 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000130775227 897213997 /nfs/dbraw/zinc/21/39/97/897213997.db2.gz UOJXENVGSWLNCL-UHFFFAOYSA-N 2 2 383.540 3.533 20 0 GHADLP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386733 897550209 /nfs/dbraw/zinc/55/02/09/897550209.db2.gz MBOUMVGACKPGCY-YJBOKZPZSA-N 2 2 383.883 3.680 20 0 GHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000883387579 897552266 /nfs/dbraw/zinc/55/22/66/897552266.db2.gz ZUXVCDYDRSHSMC-XXBNENTESA-N 2 2 376.504 3.812 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000820874419 897599762 /nfs/dbraw/zinc/59/97/62/897599762.db2.gz HTJRWMLVVGSERN-FXAWDEMLSA-N 2 2 388.556 3.596 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000568620374 897988886 /nfs/dbraw/zinc/98/88/86/897988886.db2.gz MDYKSPJAEDJGMS-KBMIEXCESA-N 2 2 389.543 3.953 20 0 GHADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103093481 898066879 /nfs/dbraw/zinc/06/68/79/898066879.db2.gz XAWFXRLOWHPTNJ-OAQYLSRUSA-N 2 2 380.536 3.660 20 0 GHADLP CN(C)[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cccc(F)c1 ZINC000133511101 898523102 /nfs/dbraw/zinc/52/31/02/898523102.db2.gz HIYDKXXEVOSVOD-QHCPKHFHSA-N 2 2 384.543 3.753 20 0 GHADLP CC[NH+](CC)CCOc1ccc(-c2noc([C@H]3[NH2+]CCc4ccccc43)n2)cc1 ZINC000822918509 898721725 /nfs/dbraw/zinc/72/17/25/898721725.db2.gz BJCTZUKADRSPPD-NRFANRHFSA-N 2 2 392.503 3.692 20 0 GHADLP CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113208250 898970716 /nfs/dbraw/zinc/97/07/16/898970716.db2.gz WXHNUEAWNGCERC-UHFFFAOYSA-N 2 2 388.515 3.668 20 0 GHADLP CN(C(=O)Cc1ccc(C2CCCCC2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001136737793 899080784 /nfs/dbraw/zinc/08/07/84/899080784.db2.gz QJEIQLRJUNCIFJ-XMMPIXPASA-N 2 2 397.607 3.904 20 0 GHADLP CN(C(=O)Cc1ccc(C2CCCCC2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001136737793 899080798 /nfs/dbraw/zinc/08/07/98/899080798.db2.gz QJEIQLRJUNCIFJ-XMMPIXPASA-N 2 2 397.607 3.904 20 0 GHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000823684481 899185978 /nfs/dbraw/zinc/18/59/78/899185978.db2.gz XWVBRSWIYYAFBU-HXUWFJFHSA-N 2 2 380.492 3.773 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001136811947 899354436 /nfs/dbraw/zinc/35/44/36/899354436.db2.gz RYEXVADBJJTEFD-TZIWHRDSSA-N 2 2 380.536 3.528 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001136811947 899354449 /nfs/dbraw/zinc/35/44/49/899354449.db2.gz RYEXVADBJJTEFD-TZIWHRDSSA-N 2 2 380.536 3.528 20 0 GHADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824215561 899460180 /nfs/dbraw/zinc/46/01/80/899460180.db2.gz LKIZKSUDWZPIIV-TZIWHRDSSA-N 2 2 382.556 3.636 20 0 GHADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3(c4ccc(C(C)(C)C)cc4)CC3)c2)CC1 ZINC001171051781 899528594 /nfs/dbraw/zinc/52/85/94/899528594.db2.gz QYMIAEAMKGBMAO-UHFFFAOYSA-N 2 2 392.547 3.801 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccc(Cl)c1 ZINC000824545853 899702777 /nfs/dbraw/zinc/70/27/77/899702777.db2.gz DYFNZJMYPHMUMV-OAHLLOKOSA-N 2 2 396.926 3.835 20 0 GHADLP Cc1cccn2c(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)cnc12 ZINC001136963158 899875656 /nfs/dbraw/zinc/87/56/56/899875656.db2.gz MJEBYTHAPOGQNA-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2c(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)cnc12 ZINC001136963158 899875659 /nfs/dbraw/zinc/87/56/59/899875659.db2.gz MJEBYTHAPOGQNA-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2c(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)cnc12 ZINC001136963158 899875665 /nfs/dbraw/zinc/87/56/65/899875665.db2.gz MJEBYTHAPOGQNA-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2c(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)cnc12 ZINC001136963158 899875671 /nfs/dbraw/zinc/87/56/71/899875671.db2.gz MJEBYTHAPOGQNA-AJSBUHFISA-N 2 2 389.547 3.770 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000289867470 914391067 /nfs/dbraw/zinc/39/10/67/914391067.db2.gz OVAAJVQZHHPUDA-UHFFFAOYSA-N 2 2 391.397 3.592 20 0 GHADLP CCC[C@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000825242302 900048200 /nfs/dbraw/zinc/04/82/00/900048200.db2.gz NOUXFRWHLXMXHS-QFIPXVFZSA-N 2 2 390.535 3.962 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)Cc3ccccc3)C2)s1 ZINC000573312505 900462209 /nfs/dbraw/zinc/46/22/09/900462209.db2.gz HGVWMTCHOQHXDY-PZJWPPBQSA-N 2 2 399.604 3.857 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)N(C)Cc3ccccc3)C2)s1 ZINC000573312505 900462215 /nfs/dbraw/zinc/46/22/15/900462215.db2.gz HGVWMTCHOQHXDY-PZJWPPBQSA-N 2 2 399.604 3.857 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N(C)Cc3ccccc3)C2)s1 ZINC000573312505 900462221 /nfs/dbraw/zinc/46/22/21/900462221.db2.gz HGVWMTCHOQHXDY-PZJWPPBQSA-N 2 2 399.604 3.857 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N(C)Cc3ccccc3)C2)s1 ZINC000573312505 900462230 /nfs/dbraw/zinc/46/22/30/900462230.db2.gz HGVWMTCHOQHXDY-PZJWPPBQSA-N 2 2 399.604 3.857 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(C)c(C)c3Cl)CC2)CC1 ZINC000646429006 914512402 /nfs/dbraw/zinc/51/24/02/914512402.db2.gz INXSBACOEHVPFT-UHFFFAOYSA-N 2 2 392.975 3.981 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(C)c(C)c3Cl)CC2)CC1 ZINC000646429006 914512413 /nfs/dbraw/zinc/51/24/13/914512413.db2.gz INXSBACOEHVPFT-UHFFFAOYSA-N 2 2 392.975 3.981 20 0 GHADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3ccc(N4CCCCC4)cc3)CC2)[nH+]c1C ZINC000886664053 901213726 /nfs/dbraw/zinc/21/37/26/901213726.db2.gz APDQHWKDGQYYHX-UHFFFAOYSA-N 2 2 395.551 3.835 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575744878 901270716 /nfs/dbraw/zinc/27/07/16/901270716.db2.gz FYUCCLFATXHWMY-IRFCIJBXSA-N 2 2 389.902 3.821 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575744878 901270726 /nfs/dbraw/zinc/27/07/26/901270726.db2.gz FYUCCLFATXHWMY-IRFCIJBXSA-N 2 2 389.902 3.821 20 0 GHADLP C[C@H](c1nnc(SCC[C@H]2CCC[N@@H+]2C)n1-c1ccc(F)cc1)[NH+](C)C ZINC000124292154 902050445 /nfs/dbraw/zinc/05/04/45/902050445.db2.gz OJICVTXGKDUGDT-GDBMZVCRSA-N 2 2 377.533 3.605 20 0 GHADLP C[C@H](c1nnc(SCC[C@H]2CCC[N@H+]2C)n1-c1ccc(F)cc1)[NH+](C)C ZINC000124292154 902050451 /nfs/dbraw/zinc/05/04/51/902050451.db2.gz OJICVTXGKDUGDT-GDBMZVCRSA-N 2 2 377.533 3.605 20 0 GHADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000576865037 902313909 /nfs/dbraw/zinc/31/39/09/902313909.db2.gz GHPZTDLKTVCHBD-GUDVDZBRSA-N 2 2 390.572 3.538 20 0 GHADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000576865037 902313915 /nfs/dbraw/zinc/31/39/15/902313915.db2.gz GHPZTDLKTVCHBD-GUDVDZBRSA-N 2 2 390.572 3.538 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000778998077 902657743 /nfs/dbraw/zinc/65/77/43/902657743.db2.gz HAJJZXAREVDJAN-VQTJNVASSA-N 2 2 384.524 3.656 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC[C@H](Nc4ccccc4)C3)C2)cc1 ZINC000577595288 902933779 /nfs/dbraw/zinc/93/37/79/902933779.db2.gz ONNYHOYGXUZPFT-BJKOFHAPSA-N 2 2 379.548 3.854 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC[C@H](Nc4ccccc4)C3)C2)cc1 ZINC000577595288 902933783 /nfs/dbraw/zinc/93/37/83/902933783.db2.gz ONNYHOYGXUZPFT-BJKOFHAPSA-N 2 2 379.548 3.854 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CCC[C@H](Nc4ccccc4)C3)C2)cc1 ZINC000577595288 902933788 /nfs/dbraw/zinc/93/37/88/902933788.db2.gz ONNYHOYGXUZPFT-BJKOFHAPSA-N 2 2 379.548 3.854 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CCC[C@H](Nc4ccccc4)C3)C2)cc1 ZINC000577595288 902933794 /nfs/dbraw/zinc/93/37/94/902933794.db2.gz ONNYHOYGXUZPFT-BJKOFHAPSA-N 2 2 379.548 3.854 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(CC[NH+]1CCCCCC1)C1CCC1)C2 ZINC000577684329 903045607 /nfs/dbraw/zinc/04/56/07/903045607.db2.gz YAKNWZNVBWGKHH-GOSISDBHSA-N 2 2 386.584 3.895 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(CC[NH+]1CCCCCC1)C1CCC1)CC2 ZINC000577684329 903045626 /nfs/dbraw/zinc/04/56/26/903045626.db2.gz YAKNWZNVBWGKHH-GOSISDBHSA-N 2 2 386.584 3.895 20 0 GHADLP CC(C)(CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C[NH+]1CCCC1 ZINC000577809885 903225632 /nfs/dbraw/zinc/22/56/32/903225632.db2.gz BHYOEBNWCWTRAS-SFTDATJTSA-N 2 2 395.551 3.533 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1Br ZINC000132874607 903321571 /nfs/dbraw/zinc/32/15/71/903321571.db2.gz HIWRQGAWQNXSDN-ZIAGYGMSSA-N 2 2 385.321 3.740 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(CSC(F)F)o3)[nH+]c2)C1 ZINC000772963649 903449093 /nfs/dbraw/zinc/44/90/93/903449093.db2.gz GGCPCCHALBOWPV-AWEZNQCLSA-N 2 2 382.480 3.883 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Br)nc1 ZINC000290601072 914751687 /nfs/dbraw/zinc/75/16/87/914751687.db2.gz HFKCMFKYCXZCDO-BBRMVZONSA-N 2 2 390.329 3.553 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)NC3CCC(C)CC3)C2)s1 ZINC000579040132 904307626 /nfs/dbraw/zinc/30/76/26/904307626.db2.gz IWSOBDKCCULNHJ-CGIJZDBUSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)NC3CCC(C)CC3)C2)s1 ZINC000579040132 904307640 /nfs/dbraw/zinc/30/76/40/904307640.db2.gz IWSOBDKCCULNHJ-CGIJZDBUSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NC3CCC(C)CC3)C2)s1 ZINC000579040132 904307656 /nfs/dbraw/zinc/30/76/56/904307656.db2.gz IWSOBDKCCULNHJ-CGIJZDBUSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NC3CCC(C)CC3)C2)s1 ZINC000579040132 904307673 /nfs/dbraw/zinc/30/76/73/904307673.db2.gz IWSOBDKCCULNHJ-CGIJZDBUSA-N 2 2 391.625 3.894 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171359491 904347069 /nfs/dbraw/zinc/34/70/69/904347069.db2.gz DSESMNWQKWXFPR-UEVCKROQSA-N 2 2 386.486 3.701 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171359491 904347084 /nfs/dbraw/zinc/34/70/84/904347084.db2.gz DSESMNWQKWXFPR-UEVCKROQSA-N 2 2 386.486 3.701 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171371297 904377692 /nfs/dbraw/zinc/37/76/92/904377692.db2.gz OOFBYPWOLMZZQZ-KNQAVFIVSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171371297 904377706 /nfs/dbraw/zinc/37/77/06/904377706.db2.gz OOFBYPWOLMZZQZ-KNQAVFIVSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171371297 904377719 /nfs/dbraw/zinc/37/77/19/904377719.db2.gz OOFBYPWOLMZZQZ-KNQAVFIVSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171371297 904377732 /nfs/dbraw/zinc/37/77/32/904377732.db2.gz OOFBYPWOLMZZQZ-KNQAVFIVSA-N 2 2 378.507 3.645 20 0 GHADLP Cn1cc(-c2ccccc2C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cn1 ZINC000773115162 904442213 /nfs/dbraw/zinc/44/22/13/904442213.db2.gz MFVCFISQOCDAAY-UHFFFAOYSA-N 2 2 389.547 3.912 20 0 GHADLP [NH3+]C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)c1ccc(Br)cc1 ZINC001171461078 904722645 /nfs/dbraw/zinc/72/26/45/904722645.db2.gz VSPFWNUTHRGISK-QAPCUYQASA-N 2 2 381.264 3.874 20 0 GHADLP Fc1cc2c(c(F)c1F)C[C@H]([NH2+]CC1CCN(c3cccc[nH+]3)CC1)CC2 ZINC001171518203 904793133 /nfs/dbraw/zinc/79/31/33/904793133.db2.gz SUDFUVXUCLBLES-MRXNPFEDSA-N 2 2 375.438 3.862 20 0 GHADLP Fc1cccc2c1C[C@@H]([NH+]1CC(c3[nH+]cn4cc(Br)ccc34)C1)C2 ZINC001171807012 905067048 /nfs/dbraw/zinc/06/70/48/905067048.db2.gz NKCOXWCMOHXJMY-HNNXBMFYSA-N 2 2 386.268 3.803 20 0 GHADLP [NH3+]C1(c2ccccc2F)CC[NH+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171880102 905153125 /nfs/dbraw/zinc/15/31/25/905153125.db2.gz LHJKSTRCFAJMTK-HXUWFJFHSA-N 2 2 395.522 3.770 20 0 GHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001171988761 905198784 /nfs/dbraw/zinc/19/87/84/905198784.db2.gz NHITYDVWVKQHPX-SFHVURJKSA-N 2 2 380.374 3.738 20 0 GHADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001171988761 905198797 /nfs/dbraw/zinc/19/87/97/905198797.db2.gz NHITYDVWVKQHPX-SFHVURJKSA-N 2 2 380.374 3.738 20 0 GHADLP CC1(C)C[C@H]([NH2+]CC(=O)N2CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001171969814 905215977 /nfs/dbraw/zinc/21/59/77/905215977.db2.gz XGDFXFIXLOYMRP-OAQYLSRUSA-N 2 2 377.532 3.609 20 0 GHADLP CC1(C)C[C@H]([NH2+]CC(=O)N2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171969814 905215992 /nfs/dbraw/zinc/21/59/92/905215992.db2.gz XGDFXFIXLOYMRP-OAQYLSRUSA-N 2 2 377.532 3.609 20 0 GHADLP CC1(C)C[C@H]([NH2+]Cc2ccnc(OCC3CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC001171979747 905228729 /nfs/dbraw/zinc/22/87/29/905228729.db2.gz QNKDVSIRYMWZAW-HXUWFJFHSA-N 2 2 380.536 3.798 20 0 GHADLP CC1(C)C[C@H]([NH2+]Cc2ccnc(OCC3CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC001171979747 905228744 /nfs/dbraw/zinc/22/87/44/905228744.db2.gz QNKDVSIRYMWZAW-HXUWFJFHSA-N 2 2 380.536 3.798 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC[NH+](Cc4ccncc4)CC2)C3)cc1 ZINC001172073808 905283117 /nfs/dbraw/zinc/28/31/17/905283117.db2.gz CIVSSORAVXCTPY-LNWKWYTESA-N 2 2 390.575 3.785 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC[NH+](Cc4ccncc4)CC2)C3)cc1 ZINC001172073808 905283131 /nfs/dbraw/zinc/28/31/31/905283131.db2.gz CIVSSORAVXCTPY-LNWKWYTESA-N 2 2 390.575 3.785 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(C(=O)c3ccc(Cl)cc3Cl)CC1)C2 ZINC001172129829 905342027 /nfs/dbraw/zinc/34/20/27/905342027.db2.gz LFIBTKYCZFROEU-BJWYYQGGSA-N 2 2 396.362 3.767 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(C(=O)c3ccc(Cl)cc3Cl)CC1)C2 ZINC001172129829 905342043 /nfs/dbraw/zinc/34/20/43/905342043.db2.gz LFIBTKYCZFROEU-BJWYYQGGSA-N 2 2 396.362 3.767 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(Br)cc3)CC1)C2 ZINC001172115826 905365867 /nfs/dbraw/zinc/36/58/67/905365867.db2.gz BTSJCMVDSWFANA-BWTSREIZSA-N 2 2 378.358 3.586 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(Br)cc3)CC1)C2 ZINC001172115826 905365883 /nfs/dbraw/zinc/36/58/83/905365883.db2.gz BTSJCMVDSWFANA-BWTSREIZSA-N 2 2 378.358 3.586 20 0 GHADLP COCC[N@H+](C)[C@@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC001172115747 905366018 /nfs/dbraw/zinc/36/60/18/905366018.db2.gz ZUYXDLQMLXUAAH-WOZUAGRISA-N 2 2 379.976 3.564 20 0 GHADLP COCC[N@@H+](C)[C@@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC001172115747 905366034 /nfs/dbraw/zinc/36/60/34/905366034.db2.gz ZUYXDLQMLXUAAH-WOZUAGRISA-N 2 2 379.976 3.564 20 0 GHADLP COCC[NH+](C)[C@@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC001172115747 905366043 /nfs/dbraw/zinc/36/60/43/905366043.db2.gz ZUYXDLQMLXUAAH-WOZUAGRISA-N 2 2 379.976 3.564 20 0 GHADLP COCC[NH+](C)[C@@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001172115747 905366057 /nfs/dbraw/zinc/36/60/57/905366057.db2.gz ZUYXDLQMLXUAAH-WOZUAGRISA-N 2 2 379.976 3.564 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000174906316 905386393 /nfs/dbraw/zinc/38/63/93/905386393.db2.gz IMTJXAKEYOFEDZ-UHFFFAOYSA-N 2 2 380.536 3.522 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+]([C@@H]4CC[C@@H](C)[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001172373404 905486064 /nfs/dbraw/zinc/48/60/64/905486064.db2.gz LSENKTVUNDPANG-BQLRMLCTSA-N 2 2 377.598 3.799 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@@H]4CC[C@@H](C)[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001172373404 905486067 /nfs/dbraw/zinc/48/60/67/905486067.db2.gz LSENKTVUNDPANG-BQLRMLCTSA-N 2 2 377.598 3.799 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@@H]4CC[C@@H](C)[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001172373404 905486069 /nfs/dbraw/zinc/48/60/69/905486069.db2.gz LSENKTVUNDPANG-BQLRMLCTSA-N 2 2 377.598 3.799 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+]([C@@H]4CC[C@@H](C)[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001172373404 905486072 /nfs/dbraw/zinc/48/60/72/905486072.db2.gz LSENKTVUNDPANG-BQLRMLCTSA-N 2 2 377.598 3.799 20 0 GHADLP CC[C@H](C)OCC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001172335605 905502031 /nfs/dbraw/zinc/50/20/31/905502031.db2.gz KEPGNVYUMYIKLU-BJLQDIEVSA-N 2 2 397.604 3.644 20 0 GHADLP CC[C@H](C)OCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC001172337714 905503358 /nfs/dbraw/zinc/50/33/58/905503358.db2.gz QTNNHYNTIDTDPN-MSOLQXFVSA-N 2 2 376.541 3.621 20 0 GHADLP C[C@@H]1CC[C@H]([NH+]2CCC([N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)C[C@H]1C ZINC001172384765 905542273 /nfs/dbraw/zinc/54/22/73/905542273.db2.gz WGMRFJXISAKQRX-XSYGEPLQSA-N 2 2 379.589 3.875 20 0 GHADLP C[C@@H]1CC[C@H]([NH+]2CCC([N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)C[C@H]1C ZINC001172384765 905542282 /nfs/dbraw/zinc/54/22/82/905542282.db2.gz WGMRFJXISAKQRX-XSYGEPLQSA-N 2 2 379.589 3.875 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@H]([NH+]3CCC(n4cc[nH+]c4)CC3)CC[C@H]2C1 ZINC001172531196 905592378 /nfs/dbraw/zinc/59/23/78/905592378.db2.gz IZULZUJQXAOPKX-QNWVGRARSA-N 2 2 392.547 3.851 20 0 GHADLP c1ccc([C@@H]2CC[C@H]([NH+]3CCN(c4cc[nH+]c(N5CCCC5)n4)CC3)C2)cc1 ZINC001172567885 905629456 /nfs/dbraw/zinc/62/94/56/905629456.db2.gz HPNHLCNYHXXIQV-RTWAWAEBSA-N 2 2 377.536 3.535 20 0 GHADLP NC(=O)C1([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001172541312 905645123 /nfs/dbraw/zinc/64/51/23/905645123.db2.gz WIQIQTPPHMMIKE-PKTZIBPZSA-N 2 2 391.559 3.823 20 0 GHADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172867981 905889516 /nfs/dbraw/zinc/88/95/16/905889516.db2.gz QQEQVODDWITSEW-IPELMVKDSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172867981 905889520 /nfs/dbraw/zinc/88/95/20/905889520.db2.gz QQEQVODDWITSEW-IPELMVKDSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172867981 905889529 /nfs/dbraw/zinc/88/95/29/905889529.db2.gz QQEQVODDWITSEW-IPELMVKDSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172867981 905889551 /nfs/dbraw/zinc/88/95/51/905889551.db2.gz QQEQVODDWITSEW-IPELMVKDSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001172839224 905893556 /nfs/dbraw/zinc/89/35/56/905893556.db2.gz CMSYTSKFWDJPBC-WCGZIJFHSA-N 2 2 384.923 3.982 20 0 GHADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172853746 905909065 /nfs/dbraw/zinc/90/90/65/905909065.db2.gz PPKRHRRYBDWHRB-KBAYOESNSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172853746 905909080 /nfs/dbraw/zinc/90/90/80/905909080.db2.gz PPKRHRRYBDWHRB-KBAYOESNSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@H](Cc1c(F)cccc1Cl)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172853746 905909096 /nfs/dbraw/zinc/90/90/96/905909096.db2.gz PPKRHRRYBDWHRB-KBAYOESNSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@H](Cc1c(F)cccc1Cl)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172853746 905909105 /nfs/dbraw/zinc/90/91/05/905909105.db2.gz PPKRHRRYBDWHRB-KBAYOESNSA-N 2 2 390.934 3.598 20 0 GHADLP C[C@@H]1CC[C@@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CN1C(=O)OC(C)(C)C ZINC001173073334 906167784 /nfs/dbraw/zinc/16/77/84/906167784.db2.gz NEIRFABVXXIDGS-NVXWUHKLSA-N 2 2 392.519 3.567 20 0 GHADLP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001173110277 906196713 /nfs/dbraw/zinc/19/67/13/906196713.db2.gz JGQYBYTWXZCSBT-DCCYDQLOSA-N 3 2 376.614 3.692 20 0 GHADLP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001173110277 906196725 /nfs/dbraw/zinc/19/67/25/906196725.db2.gz JGQYBYTWXZCSBT-DCCYDQLOSA-N 3 2 376.614 3.692 20 0 GHADLP CC[NH+](CC)C1CCC([NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)CC1 ZINC001173110277 906196735 /nfs/dbraw/zinc/19/67/35/906196735.db2.gz JGQYBYTWXZCSBT-DCCYDQLOSA-N 3 2 376.614 3.692 20 0 GHADLP CC[NH+](CC)C1CCC([NH+]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001173110277 906196739 /nfs/dbraw/zinc/19/67/39/906196739.db2.gz JGQYBYTWXZCSBT-DCCYDQLOSA-N 3 2 376.614 3.692 20 0 GHADLP CCCC[C@@H](CC(C)C)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001173259145 906342386 /nfs/dbraw/zinc/34/23/86/906342386.db2.gz GVMSLNIEFBJHEC-DEOSSOPVSA-N 3 2 392.676 3.768 20 0 GHADLP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H](C[NH3+])c1ccc(Br)cc1)CC2 ZINC001173618591 906565887 /nfs/dbraw/zinc/56/58/87/906565887.db2.gz RHAIVJQZEUZDAP-DHADLLTHSA-N 2 2 395.341 3.551 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)cn1 ZINC000180033472 906672332 /nfs/dbraw/zinc/67/23/32/906672332.db2.gz DIYSHIBUTHLWFF-ZDUSSCGKSA-N 2 2 380.883 3.967 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000629531153 906856690 /nfs/dbraw/zinc/85/66/90/906856690.db2.gz BIXDBGOWNIXGLS-XPKDYRNWSA-N 2 2 385.371 3.733 20 0 GHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629657209 906934797 /nfs/dbraw/zinc/93/47/97/906934797.db2.gz UXZFBLLDDBPQPL-QUCCMNQESA-N 2 2 394.485 3.816 20 0 GHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629657209 906934807 /nfs/dbraw/zinc/93/48/07/906934807.db2.gz UXZFBLLDDBPQPL-QUCCMNQESA-N 2 2 394.485 3.816 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629657286 906935718 /nfs/dbraw/zinc/93/57/18/906935718.db2.gz VTIKPQDZRWAPDI-GUYCJALGSA-N 2 2 386.849 3.793 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629657286 906935731 /nfs/dbraw/zinc/93/57/31/906935731.db2.gz VTIKPQDZRWAPDI-GUYCJALGSA-N 2 2 386.849 3.793 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C)c1cc2ccccc2o1 ZINC001176274276 908007370 /nfs/dbraw/zinc/00/73/70/908007370.db2.gz TURVSWJUGLURNC-SQNIBIBYSA-N 2 2 392.503 3.604 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C)c1cc2ccccc2o1 ZINC001176274276 908007388 /nfs/dbraw/zinc/00/73/88/908007388.db2.gz TURVSWJUGLURNC-SQNIBIBYSA-N 2 2 392.503 3.604 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001176620922 908187044 /nfs/dbraw/zinc/18/70/44/908187044.db2.gz WDJIYFUSVLSZNO-MRXNPFEDSA-N 2 2 387.409 3.979 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001176620922 908187049 /nfs/dbraw/zinc/18/70/49/908187049.db2.gz WDJIYFUSVLSZNO-MRXNPFEDSA-N 2 2 387.409 3.979 20 0 GHADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)Cc1ccccc1 ZINC001177222892 908471952 /nfs/dbraw/zinc/47/19/52/908471952.db2.gz UAQCMGUXEDZVFH-JOCHJYFZSA-N 2 2 387.612 3.956 20 0 GHADLP C[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC001177278062 908512992 /nfs/dbraw/zinc/51/29/92/908512992.db2.gz QFZAWNRPWHNQDE-NRFANRHFSA-N 2 2 384.612 3.584 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)cn1 ZINC001177363364 908553268 /nfs/dbraw/zinc/55/32/68/908553268.db2.gz OFQYPWRQLXABAR-UHFFFAOYSA-N 2 2 378.867 3.909 20 0 GHADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC000266493949 909193793 /nfs/dbraw/zinc/19/37/93/909193793.db2.gz AKKWIZZTENPZEN-KRWDZBQOSA-N 2 2 398.576 3.775 20 0 GHADLP CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000266791786 909303481 /nfs/dbraw/zinc/30/34/81/909303481.db2.gz DTNUDKKTXQHVCI-HSZRJFAPSA-N 2 2 388.515 3.668 20 0 GHADLP CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000266791786 909303499 /nfs/dbraw/zinc/30/34/99/909303499.db2.gz DTNUDKKTXQHVCI-HSZRJFAPSA-N 2 2 388.515 3.668 20 0 GHADLP CC1CC[NH+](C2CCC(NC(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)CC2)CC1 ZINC000635728066 909335013 /nfs/dbraw/zinc/33/50/13/909335013.db2.gz SSDGQLXOJFGPIU-JCYILVPMSA-N 2 2 386.462 3.536 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266947061 909345970 /nfs/dbraw/zinc/34/59/70/909345970.db2.gz FOTVYPCCFJTYQD-UHFFFAOYSA-N 2 2 385.512 3.542 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000267345018 909459277 /nfs/dbraw/zinc/45/92/77/909459277.db2.gz CCMAXRQJVRVZAD-CVDCTZTESA-N 2 2 388.515 3.572 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000267345018 909459281 /nfs/dbraw/zinc/45/92/81/909459281.db2.gz CCMAXRQJVRVZAD-CVDCTZTESA-N 2 2 388.515 3.572 20 0 GHADLP Cc1cc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC000269098669 910139441 /nfs/dbraw/zinc/13/94/41/910139441.db2.gz SMZRLAIYTJXZGO-XXBNENTESA-N 3 2 393.579 3.705 20 0 GHADLP Cc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC000269098669 910139453 /nfs/dbraw/zinc/13/94/53/910139453.db2.gz SMZRLAIYTJXZGO-XXBNENTESA-N 3 2 393.579 3.705 20 0 GHADLP CO[C@@H](C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCOC1 ZINC000638534015 910174186 /nfs/dbraw/zinc/17/41/86/910174186.db2.gz NXTCNTNBPVRFKB-VWNXMTODSA-N 2 2 391.515 3.740 20 0 GHADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@@H]3CCN(c4ccccc4)C3)CCCC2)no1 ZINC000638603281 910201846 /nfs/dbraw/zinc/20/18/46/910201846.db2.gz BLHAVPJDVWPHPA-IBGZPJMESA-N 2 2 397.567 3.797 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(F)cc1Br ZINC001180785949 910339943 /nfs/dbraw/zinc/33/99/43/910339943.db2.gz AALNQBFWUVHPPL-CYBMUJFWSA-N 2 2 396.304 3.785 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(F)cc1Br ZINC001180785949 910339958 /nfs/dbraw/zinc/33/99/58/910339958.db2.gz AALNQBFWUVHPPL-CYBMUJFWSA-N 2 2 396.304 3.785 20 0 GHADLP Nc1cc[nH+]c(-c2cc(NC(=O)C34CC(C3)CC[N@@H+]4Cc3ccccc3)ccn2)c1 ZINC001181485596 910814732 /nfs/dbraw/zinc/81/47/32/910814732.db2.gz PMVMCIGSBRJJDG-UHFFFAOYSA-N 2 2 399.498 3.719 20 0 GHADLP Nc1cc[nH+]c(-c2cc(NC(=O)C34CC(C3)CC[N@H+]4Cc3ccccc3)ccn2)c1 ZINC001181485596 910814738 /nfs/dbraw/zinc/81/47/38/910814738.db2.gz PMVMCIGSBRJJDG-UHFFFAOYSA-N 2 2 399.498 3.719 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1Br ZINC000271516945 910940162 /nfs/dbraw/zinc/94/01/62/910940162.db2.gz OSKKSSXUNYOGDO-JBBXEZCESA-N 2 2 385.321 3.617 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(Br)ccc1F ZINC000271561513 910959996 /nfs/dbraw/zinc/95/99/96/910959996.db2.gz WYXJZPNLYUNOSZ-UYHISHBKSA-N 2 2 385.321 3.617 20 0 GHADLP CC1(c2ccccc2)CCC([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC001181946458 911096640 /nfs/dbraw/zinc/09/66/40/911096640.db2.gz RZYFGEKHOJLHBA-OADZCNSWSA-N 2 2 378.560 3.896 20 0 GHADLP CC1(c2ccccc2)CCC([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC001181946458 911096658 /nfs/dbraw/zinc/09/66/58/911096658.db2.gz RZYFGEKHOJLHBA-OADZCNSWSA-N 2 2 378.560 3.896 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000283058833 911356747 /nfs/dbraw/zinc/35/67/47/911356747.db2.gz WJZKUIRKNDPTGB-VQTJNVASSA-N 2 2 395.551 3.599 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000283058833 911356765 /nfs/dbraw/zinc/35/67/65/911356765.db2.gz WJZKUIRKNDPTGB-VQTJNVASSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001182872883 912092855 /nfs/dbraw/zinc/09/28/55/912092855.db2.gz HDYJOIDYFAAHBQ-CVEARBPZSA-N 2 2 396.373 3.876 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000796338214 914890575 /nfs/dbraw/zinc/89/05/75/914890575.db2.gz JDICDHDZAVGREQ-KRWDZBQOSA-N 2 2 375.948 3.687 20 0 GHADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000796338214 914890590 /nfs/dbraw/zinc/89/05/90/914890590.db2.gz JDICDHDZAVGREQ-KRWDZBQOSA-N 2 2 375.948 3.687 20 0 GHADLP COc1ccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1OC(F)F ZINC000291037894 914930955 /nfs/dbraw/zinc/93/09/55/914930955.db2.gz APQORUJYRKFOPF-UHFFFAOYSA-N 2 2 396.400 3.846 20 0 GHADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000291230825 915052288 /nfs/dbraw/zinc/05/22/88/915052288.db2.gz DBHKHEBJMNSACH-UTKZUKDTSA-N 2 2 393.535 3.977 20 0 GHADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000291230819 915052524 /nfs/dbraw/zinc/05/25/24/915052524.db2.gz DBHKHEBJMNSACH-LAUBAEHRSA-N 2 2 393.535 3.977 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000647344372 915167230 /nfs/dbraw/zinc/16/72/30/915167230.db2.gz PFNCKRLDXYGPHT-GATIMQMVSA-N 3 2 377.576 3.832 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000647344372 915167232 /nfs/dbraw/zinc/16/72/32/915167232.db2.gz PFNCKRLDXYGPHT-GATIMQMVSA-N 3 2 377.576 3.832 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344372 915167233 /nfs/dbraw/zinc/16/72/33/915167233.db2.gz PFNCKRLDXYGPHT-GATIMQMVSA-N 3 2 377.576 3.832 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344372 915167237 /nfs/dbraw/zinc/16/72/37/915167237.db2.gz PFNCKRLDXYGPHT-GATIMQMVSA-N 3 2 377.576 3.832 20 0 GHADLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccnn3CC(C)C)CC2)c1C ZINC000648035366 915491381 /nfs/dbraw/zinc/49/13/81/915491381.db2.gz AFMVPXCGYJWYGS-UHFFFAOYSA-N 2 2 399.583 3.656 20 0 GHADLP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccnn3CC(C)C)CC2)c1C ZINC000648035366 915491394 /nfs/dbraw/zinc/49/13/94/915491394.db2.gz AFMVPXCGYJWYGS-UHFFFAOYSA-N 2 2 399.583 3.656 20 0 GHADLP CSc1ccc([C@@H](CNC2CC[NH+](Cc3ccccn3)CC2)[NH+](C)C)cc1 ZINC000294537689 916853088 /nfs/dbraw/zinc/85/30/88/916853088.db2.gz AJZUHWFJMYHYCI-JOCHJYFZSA-N 2 2 384.593 3.660 20 0 GHADLP CSc1ccc([C@@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[NH+](C)C)cc1 ZINC000294837948 917005819 /nfs/dbraw/zinc/00/58/19/917005819.db2.gz MWQMXSVJYQZODF-OAQYLSRUSA-N 2 2 394.544 3.686 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CCOCC1)c1ccccc1 ZINC000775396982 917394874 /nfs/dbraw/zinc/39/48/74/917394874.db2.gz ZMPJKRCXVQVWFG-OJAHFUOMSA-N 2 2 392.634 3.856 20 0 GHADLP CC(C)(C)OC(=O)Nc1ncc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000800513370 920224655 /nfs/dbraw/zinc/22/46/55/920224655.db2.gz YPGNPUUFSRJZBJ-YOEHRIQHSA-N 2 2 392.569 3.939 20 0 GHADLP CC(C)(C)OC(=O)Nc1ncc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000800513370 920224704 /nfs/dbraw/zinc/22/47/04/920224704.db2.gz YPGNPUUFSRJZBJ-YOEHRIQHSA-N 2 2 392.569 3.939 20 0 GHADLP CC(C)(C)OC(=O)Nc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000800513370 920224745 /nfs/dbraw/zinc/22/47/45/920224745.db2.gz YPGNPUUFSRJZBJ-YOEHRIQHSA-N 2 2 392.569 3.939 20 0 GHADLP CC(C)(C)OC(=O)Nc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000800513370 920224789 /nfs/dbraw/zinc/22/47/89/920224789.db2.gz YPGNPUUFSRJZBJ-YOEHRIQHSA-N 2 2 392.569 3.939 20 0 GHADLP CC[N@H+](Cc1nc(C2CC2)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365511925 920887910 /nfs/dbraw/zinc/88/79/10/920887910.db2.gz VGQODONBTKEOOF-UHFFFAOYSA-N 2 2 384.528 3.660 20 0 GHADLP CC[N@@H+](Cc1nc(C2CC2)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365511925 920887922 /nfs/dbraw/zinc/88/79/22/920887922.db2.gz VGQODONBTKEOOF-UHFFFAOYSA-N 2 2 384.528 3.660 20 0 GHADLP C[C@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000298836453 920974668 /nfs/dbraw/zinc/97/46/68/920974668.db2.gz HRFANEICWIJDQD-INIZCTEOSA-N 2 2 380.517 3.559 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902766006 922483331 /nfs/dbraw/zinc/48/33/31/922483331.db2.gz WIDZIXGJEULNHE-JTSKRJEESA-N 2 2 390.487 3.841 20 0 GHADLP OCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1Br ZINC000903148048 922808044 /nfs/dbraw/zinc/80/80/44/922808044.db2.gz PJQHBIPDWGBBBQ-QGGWKKEGSA-N 2 2 379.342 3.620 20 0 GHADLP OCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1Br ZINC000903148048 922808053 /nfs/dbraw/zinc/80/80/53/922808053.db2.gz PJQHBIPDWGBBBQ-QGGWKKEGSA-N 2 2 379.342 3.620 20 0 GHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1C ZINC000676907743 924143007 /nfs/dbraw/zinc/14/30/07/924143007.db2.gz MQSOLXGXYIDSQO-XMMPIXPASA-N 2 2 392.547 3.558 20 0 GHADLP CC1(C)C[C@@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000677749946 924477785 /nfs/dbraw/zinc/47/77/85/924477785.db2.gz WJPBXFRYIDYNCS-HSZRJFAPSA-N 2 2 391.559 3.952 20 0 GHADLP CC1(C)C[C@@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)C[N@H+]1Cc1ccccc1 ZINC000677749946 924477792 /nfs/dbraw/zinc/47/77/92/924477792.db2.gz WJPBXFRYIDYNCS-HSZRJFAPSA-N 2 2 391.559 3.952 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1nnc2n1CCCCC2 ZINC000371664388 924758063 /nfs/dbraw/zinc/75/80/63/924758063.db2.gz HVAMNKFUKYVPNT-MJUUVYJYSA-N 2 2 379.552 3.566 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1nnc2n1CCCCC2 ZINC000371664388 924758071 /nfs/dbraw/zinc/75/80/71/924758071.db2.gz HVAMNKFUKYVPNT-MJUUVYJYSA-N 2 2 379.552 3.566 20 0 GHADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(-n3ccnn3)cc2)CC1 ZINC001137366846 925041269 /nfs/dbraw/zinc/04/12/69/925041269.db2.gz QXZQCFRTHDPKMQ-UHFFFAOYSA-N 2 2 375.520 3.754 20 0 GHADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(-n3ccnn3)cc2)CC1 ZINC001137366846 925041277 /nfs/dbraw/zinc/04/12/77/925041277.db2.gz QXZQCFRTHDPKMQ-UHFFFAOYSA-N 2 2 375.520 3.754 20 0 GHADLP COc1ccc(Oc2ccc(C[NH+]3CCN([C@H]4CCC[N@H+](C)C4)CC3)cc2)cc1 ZINC000680328739 925444907 /nfs/dbraw/zinc/44/49/07/925444907.db2.gz DRLAZKMEPJJHOH-NRFANRHFSA-N 2 2 395.547 3.699 20 0 GHADLP COc1ccc(Oc2ccc(C[NH+]3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cc2)cc1 ZINC000680328739 925444912 /nfs/dbraw/zinc/44/49/12/925444912.db2.gz DRLAZKMEPJJHOH-NRFANRHFSA-N 2 2 395.547 3.699 20 0 GHADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410291438 925504606 /nfs/dbraw/zinc/50/46/06/925504606.db2.gz OREDEOSAVIWCHH-IRLDBZIGSA-N 2 2 392.547 3.590 20 0 GHADLP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410291438 925504611 /nfs/dbraw/zinc/50/46/11/925504611.db2.gz OREDEOSAVIWCHH-IRLDBZIGSA-N 2 2 392.547 3.590 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000410348629 925567148 /nfs/dbraw/zinc/56/71/48/925567148.db2.gz ZHZFOJMLVFSJNK-IBGZPJMESA-N 2 2 395.551 3.757 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000410348629 925567154 /nfs/dbraw/zinc/56/71/54/925567154.db2.gz ZHZFOJMLVFSJNK-IBGZPJMESA-N 2 2 395.551 3.757 20 0 GHADLP C[C@]1(C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000681698964 925883568 /nfs/dbraw/zinc/88/35/68/925883568.db2.gz ODYSPQAQGSTLSY-XMMPIXPASA-N 2 2 377.532 3.723 20 0 GHADLP C[C@]1(C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000681698964 925883578 /nfs/dbraw/zinc/88/35/78/925883578.db2.gz ODYSPQAQGSTLSY-XMMPIXPASA-N 2 2 377.532 3.723 20 0 GHADLP COCCn1cc2c(n1)[C@H]([NH2+][C@H](C)c1ccc(-n3cc[nH+]c3C)cc1)CCC2 ZINC000373381057 926069296 /nfs/dbraw/zinc/06/92/96/926069296.db2.gz AIGOPKRIQNEICL-IIBYNOLFSA-N 2 2 379.508 3.752 20 0 GHADLP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000411286834 926272385 /nfs/dbraw/zinc/27/23/85/926272385.db2.gz XGAUMXRXTGTQJY-UHFFFAOYSA-N 2 2 386.561 3.708 20 0 GHADLP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000411286834 926272390 /nfs/dbraw/zinc/27/23/90/926272390.db2.gz XGAUMXRXTGTQJY-UHFFFAOYSA-N 2 2 386.561 3.708 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(C[NH+](C)C)c(F)c3)cc2)C[C@H](C)O1 ZINC000749250018 927015055 /nfs/dbraw/zinc/01/50/55/927015055.db2.gz JMHJUABAJGLSAF-CALCHBBNSA-N 2 2 399.510 3.749 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(C[NH+](C)C)c(F)c3)cc2)C[C@H](C)O1 ZINC000749250018 927015065 /nfs/dbraw/zinc/01/50/65/927015065.db2.gz JMHJUABAJGLSAF-CALCHBBNSA-N 2 2 399.510 3.749 20 0 GHADLP O=C1[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCN1c1cccc(Cl)c1 ZINC000749881931 927329071 /nfs/dbraw/zinc/32/90/71/927329071.db2.gz AZNSIEAIBRWPRU-JOCHJYFZSA-N 2 2 397.950 3.742 20 0 GHADLP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000544041020 928724829 /nfs/dbraw/zinc/72/48/29/928724829.db2.gz UTCZQZUVCQVRJE-QHCPKHFHSA-N 2 2 394.563 3.957 20 0 GHADLP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000544041020 928724834 /nfs/dbraw/zinc/72/48/34/928724834.db2.gz UTCZQZUVCQVRJE-QHCPKHFHSA-N 2 2 394.563 3.957 20 0 GHADLP OC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Br)cc1 ZINC000544178960 928894642 /nfs/dbraw/zinc/89/46/42/928894642.db2.gz JEZUOBWYZLUKBK-MRXNPFEDSA-N 2 2 378.295 3.520 20 0 GHADLP C[NH+](C)C1(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CCC1 ZINC000467391213 929028120 /nfs/dbraw/zinc/02/81/20/929028120.db2.gz RLPKXEDDXZFMGB-SFHVURJKSA-N 2 2 381.358 3.991 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCc2cccc(Br)c2C1 ZINC000544351091 929082333 /nfs/dbraw/zinc/08/23/33/929082333.db2.gz OMILAVBOBCUZFN-UHFFFAOYSA-N 2 2 383.293 3.897 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCc2cccc(Br)c2C1 ZINC000544351091 929082353 /nfs/dbraw/zinc/08/23/53/929082353.db2.gz OMILAVBOBCUZFN-UHFFFAOYSA-N 2 2 383.293 3.897 20 0 GHADLP CC[C@]1(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CCC[NH2+]1 ZINC000467709290 929324000 /nfs/dbraw/zinc/32/40/00/929324000.db2.gz SIGANFXCUJAVMW-XMMPIXPASA-N 2 2 388.515 3.747 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3c[nH]nc3-c3ccsc3)CC2)cc1 ZINC000780526258 930541532 /nfs/dbraw/zinc/54/15/32/930541532.db2.gz BGSLJICGEXEXPZ-UHFFFAOYSA-N 2 2 381.549 3.963 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000470362524 930561138 /nfs/dbraw/zinc/56/11/38/930561138.db2.gz DRHRQFMMSOYSOP-PMACEKPBSA-N 2 2 387.886 3.648 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000470362524 930561146 /nfs/dbraw/zinc/56/11/46/930561146.db2.gz DRHRQFMMSOYSOP-PMACEKPBSA-N 2 2 387.886 3.648 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(c3ccc(F)cc3Cl)CC2)CC1 ZINC000547330296 930923479 /nfs/dbraw/zinc/92/34/79/930923479.db2.gz MQLLNDOICCHCCI-UHFFFAOYSA-N 2 2 382.907 3.518 20 0 GHADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000470978603 931073896 /nfs/dbraw/zinc/07/38/96/931073896.db2.gz UVRMOEGZJJIXKK-FQEVSTJZSA-N 2 2 389.559 3.617 20 0 GHADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000470978603 931073905 /nfs/dbraw/zinc/07/39/05/931073905.db2.gz UVRMOEGZJJIXKK-FQEVSTJZSA-N 2 2 389.559 3.617 20 0 GHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000470978603 931073912 /nfs/dbraw/zinc/07/39/12/931073912.db2.gz UVRMOEGZJJIXKK-FQEVSTJZSA-N 2 2 389.559 3.617 20 0 GHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000470978603 931073919 /nfs/dbraw/zinc/07/39/19/931073919.db2.gz UVRMOEGZJJIXKK-FQEVSTJZSA-N 2 2 389.559 3.617 20 0 GHADLP C[C@H]1C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H]1c1ccccc1 ZINC000471021453 931101113 /nfs/dbraw/zinc/10/11/13/931101113.db2.gz JKQMIEWLDSBNAO-FDDCHVKYSA-N 2 2 395.572 3.867 20 0 GHADLP C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H]1c1ccccc1 ZINC000471021453 931101117 /nfs/dbraw/zinc/10/11/17/931101117.db2.gz JKQMIEWLDSBNAO-FDDCHVKYSA-N 2 2 395.572 3.867 20 0 GHADLP O=C1[C@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCCN1Cc1ccccc1 ZINC000783029922 931390698 /nfs/dbraw/zinc/39/06/98/931390698.db2.gz JAWDNRCUBXTRGW-JOCHJYFZSA-N 2 2 380.536 3.567 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000557457019 931441630 /nfs/dbraw/zinc/44/16/30/931441630.db2.gz IXBJBNANRXJDKN-JOCHJYFZSA-N 2 2 388.515 3.844 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccnn3C3CCC3)cc2)CC1 ZINC000924692479 931477401 /nfs/dbraw/zinc/47/74/01/931477401.db2.gz NNGCYCXHTODOHR-LJQANCHMSA-N 2 2 381.568 3.596 20 0 GHADLP COc1ccccc1[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccccn1 ZINC000924705712 931481049 /nfs/dbraw/zinc/48/10/49/931481049.db2.gz ZHCDCIBPVYFIPP-XMMPIXPASA-N 2 2 391.515 3.910 20 0 GHADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000924940160 931591508 /nfs/dbraw/zinc/59/15/08/931591508.db2.gz ATAPLOXRURLJEN-GCJKJVERSA-N 2 2 388.515 3.745 20 0 GHADLP COc1cc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)ccc1SC(F)F ZINC000925795773 931906543 /nfs/dbraw/zinc/90/65/43/931906543.db2.gz KQTIGYJNDPPFGN-HIFRSBDPSA-N 2 2 386.508 3.819 20 0 GHADLP Brc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2cccnc2)cc1 ZINC000926450197 932188923 /nfs/dbraw/zinc/18/89/23/932188923.db2.gz LBKZCDKYHWXMLB-VQIMIIECSA-N 2 2 383.293 3.804 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)[C@H](C2CCCC2)C1 ZINC000926448811 932189126 /nfs/dbraw/zinc/18/91/26/932189126.db2.gz CETRLRGJXIMVIG-BZSNNMDCSA-N 2 2 388.556 3.672 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000559312307 932593780 /nfs/dbraw/zinc/59/37/80/932593780.db2.gz SCIFLUUYQQSMLK-NLFFAJNJSA-N 2 2 391.559 3.698 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000559312307 932593782 /nfs/dbraw/zinc/59/37/82/932593782.db2.gz SCIFLUUYQQSMLK-NLFFAJNJSA-N 2 2 391.559 3.698 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000559312307 932593784 /nfs/dbraw/zinc/59/37/84/932593784.db2.gz SCIFLUUYQQSMLK-NLFFAJNJSA-N 2 2 391.559 3.698 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000559312307 932593790 /nfs/dbraw/zinc/59/37/90/932593790.db2.gz SCIFLUUYQQSMLK-NLFFAJNJSA-N 2 2 391.559 3.698 20 0 GHADLP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000559844628 932903146 /nfs/dbraw/zinc/90/31/46/932903146.db2.gz ZYWFTJCRRWAWPJ-QGZVFWFLSA-N 2 2 378.245 3.836 20 0 GHADLP Cc1ccncc1C[NH+](C)Cc1cncc(C[N@@H+](C)Cc2cnccc2C)c1 ZINC000560259470 933169321 /nfs/dbraw/zinc/16/93/21/933169321.db2.gz HCGGCUZOMXMSEN-UHFFFAOYSA-N 2 2 375.520 3.752 20 0 GHADLP Cc1ccncc1C[NH+](C)Cc1cncc(C[N@H+](C)Cc2cnccc2C)c1 ZINC000560259470 933169328 /nfs/dbraw/zinc/16/93/28/933169328.db2.gz HCGGCUZOMXMSEN-UHFFFAOYSA-N 2 2 375.520 3.752 20 0 GHADLP Cc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(C)n1CC(F)(F)F ZINC001116071305 933318296 /nfs/dbraw/zinc/31/82/96/933318296.db2.gz YLQREPCJOIYCBJ-UHFFFAOYSA-N 2 2 377.370 3.809 20 0 GHADLP CC(C)(C)n1ncnc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000560535673 933321111 /nfs/dbraw/zinc/32/11/11/933321111.db2.gz IATKCMKMZHCHJZ-PCCBWWKXSA-N 2 2 381.568 3.814 20 0 GHADLP CC(C)(C)n1ncnc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000560535673 933321120 /nfs/dbraw/zinc/32/11/20/933321120.db2.gz IATKCMKMZHCHJZ-PCCBWWKXSA-N 2 2 381.568 3.814 20 0 GHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000561077049 933841897 /nfs/dbraw/zinc/84/18/97/933841897.db2.gz CMLXODPSAFMLHC-OAQYLSRUSA-N 2 2 378.476 3.594 20 0 GHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000561077049 933841907 /nfs/dbraw/zinc/84/19/07/933841907.db2.gz CMLXODPSAFMLHC-OAQYLSRUSA-N 2 2 378.476 3.594 20 0 GHADLP CN1CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC001117697080 933986411 /nfs/dbraw/zinc/98/64/11/933986411.db2.gz GYHNZOVSWJRQTJ-BJKOFHAPSA-N 2 2 396.554 3.896 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC001117992953 934072344 /nfs/dbraw/zinc/07/23/44/934072344.db2.gz JMHPLCZQBMWPRC-PFYGBQHCSA-N 4 2 394.692 3.727 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC001117992953 934072356 /nfs/dbraw/zinc/07/23/56/934072356.db2.gz JMHPLCZQBMWPRC-PFYGBQHCSA-N 4 2 394.692 3.727 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)[C@H](C)C1 ZINC001117992953 934072365 /nfs/dbraw/zinc/07/23/65/934072365.db2.gz JMHPLCZQBMWPRC-PFYGBQHCSA-N 4 2 394.692 3.727 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)[C@H](C)C1 ZINC001117992953 934072376 /nfs/dbraw/zinc/07/23/76/934072376.db2.gz JMHPLCZQBMWPRC-PFYGBQHCSA-N 2 2 394.692 3.727 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc3ccccc3c2)[nH+]1 ZINC001119660691 934378864 /nfs/dbraw/zinc/37/88/64/934378864.db2.gz HOOSUAPWSJNSOE-FCHUYYIVSA-N 2 2 391.515 3.859 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccc3ccccc3c2)[nH+]1 ZINC001119660691 934378873 /nfs/dbraw/zinc/37/88/73/934378873.db2.gz HOOSUAPWSJNSOE-FCHUYYIVSA-N 2 2 391.515 3.859 20 0 GHADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000562269509 934798898 /nfs/dbraw/zinc/79/88/98/934798898.db2.gz HMFMRRBHVXXFMY-HZPDHXFCSA-N 2 2 393.601 3.569 20 0 GHADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000562269509 934798902 /nfs/dbraw/zinc/79/89/02/934798902.db2.gz HMFMRRBHVXXFMY-HZPDHXFCSA-N 2 2 393.601 3.569 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)[C@@H]2CCCCC23CC[NH2+]CC3)C1 ZINC001122455604 934874089 /nfs/dbraw/zinc/87/40/89/934874089.db2.gz BIUMVRSOPJKXPE-OALUTQOASA-N 2 2 386.584 3.904 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(c3c(F)cccc3F)CCCC2)CC1 ZINC000545205686 1015652274 /nfs/dbraw/zinc/65/22/74/1015652274.db2.gz VEHDDOXAXMSXRE-UHFFFAOYSA-N 2 2 394.506 3.784 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001221293283 1032363794 /nfs/dbraw/zinc/36/37/94/1032363794.db2.gz CVNCVLMJMZJYNT-OPYAIIAOSA-N 2 2 392.613 3.647 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001204165858 1032618139 /nfs/dbraw/zinc/61/81/39/1032618139.db2.gz IJOMWQVQPBXEMP-MRXNPFEDSA-N 2 2 384.442 3.555 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001204165858 1032618145 /nfs/dbraw/zinc/61/81/45/1032618145.db2.gz IJOMWQVQPBXEMP-MRXNPFEDSA-N 2 2 384.442 3.555 20 0 GHADLP Cc1[nH]c2ccccc2c1C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001204292023 1032734686 /nfs/dbraw/zinc/73/46/86/1032734686.db2.gz SQYTUSGWEWLRML-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP Cc1[nH]c2ccccc2c1C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001204292023 1032734701 /nfs/dbraw/zinc/73/47/01/1032734701.db2.gz SQYTUSGWEWLRML-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1Cl ZINC000564986437 1019137324 /nfs/dbraw/zinc/13/73/24/1019137324.db2.gz OVCGOECPQNTUKI-CTNGQTDRSA-N 2 2 387.911 3.699 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1Cl ZINC000564986437 1019137329 /nfs/dbraw/zinc/13/73/29/1019137329.db2.gz OVCGOECPQNTUKI-CTNGQTDRSA-N 2 2 387.911 3.699 20 0 GHADLP Fc1ccc2c(c1)[nH]c1nc[nH+]c(NCc3cccnc3C3CC[NH2+]CC3)c21 ZINC001156002153 1032834603 /nfs/dbraw/zinc/83/46/03/1032834603.db2.gz UGUWDQZEQJOZDR-UHFFFAOYSA-N 2 2 376.439 3.724 20 0 GHADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000576575842 1020035952 /nfs/dbraw/zinc/03/59/52/1020035952.db2.gz CLCXOJAALPXJEB-PTUXOGIPSA-N 2 2 380.532 3.545 20 0 GHADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000576575842 1020035963 /nfs/dbraw/zinc/03/59/63/1020035963.db2.gz CLCXOJAALPXJEB-PTUXOGIPSA-N 2 2 380.532 3.545 20 0 GHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)CCC3)cc1 ZINC000576934810 1020090877 /nfs/dbraw/zinc/09/08/77/1020090877.db2.gz HFMJSHVQLZTSJI-QILLFSRXSA-N 2 2 387.549 3.553 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000600960328 1020286684 /nfs/dbraw/zinc/28/66/84/1020286684.db2.gz VNWQAXQXRMCCMG-GJJHYRHESA-N 2 2 377.960 3.807 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000600960328 1020286694 /nfs/dbraw/zinc/28/66/94/1020286694.db2.gz VNWQAXQXRMCCMG-GJJHYRHESA-N 2 2 377.960 3.807 20 0 GHADLP C[NH+](C)C1(CNc2nnc(Cc3ccccc3)c3ccccc32)CC[NH+](C)CC1 ZINC001156185510 1032916181 /nfs/dbraw/zinc/91/61/81/1032916181.db2.gz RCGPAEWYUAWIPZ-UHFFFAOYSA-N 2 2 389.547 3.659 20 0 GHADLP [NH3+]C1(C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)CCOCC1 ZINC000629520778 1020755871 /nfs/dbraw/zinc/75/58/71/1020755871.db2.gz MMYCHKLNLYEJKD-GOSISDBHSA-N 2 2 375.310 3.636 20 0 GHADLP c1ccc(CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccn2)cc1 ZINC000631584089 1020892032 /nfs/dbraw/zinc/89/20/32/1020892032.db2.gz WRLJPEYECJNHPU-VWNXMTODSA-N 2 2 379.548 3.989 20 0 GHADLP CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834574913 1021277360 /nfs/dbraw/zinc/27/73/60/1021277360.db2.gz FYVHWJNMZSZPQA-MOPGFXCFSA-N 2 2 397.604 3.644 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2sc(N3CCCC3)nc2Cl)CC1 ZINC001140363117 1021500169 /nfs/dbraw/zinc/50/01/69/1021500169.db2.gz HHKHMRCQJIODRJ-UHFFFAOYSA-N 2 2 391.972 3.839 20 0 GHADLP FC1(F)CC[N@H+](Cc2ccc3n[nH]cc3c2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001140383329 1021536253 /nfs/dbraw/zinc/53/62/53/1021536253.db2.gz JTQHENKQGLWINU-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[N@@H+](Cc2ccc3n[nH]cc3c2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001140383329 1021536263 /nfs/dbraw/zinc/53/62/63/1021536263.db2.gz JTQHENKQGLWINU-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2ccc3n[nH]cc3c2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001140383329 1021536274 /nfs/dbraw/zinc/53/62/74/1021536274.db2.gz JTQHENKQGLWINU-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2ccc3n[nH]cc3c2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001140383329 1021536278 /nfs/dbraw/zinc/53/62/78/1021536278.db2.gz JTQHENKQGLWINU-OAQYLSRUSA-N 2 2 397.473 3.691 20 0 GHADLP Cc1cc(Br)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)s1 ZINC000835037022 1021796324 /nfs/dbraw/zinc/79/63/24/1021796324.db2.gz UEJHOFURJDYKMQ-UHFFFAOYSA-N 2 2 377.311 3.998 20 0 GHADLP Fc1cc(F)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c(F)c1 ZINC001140532627 1021929646 /nfs/dbraw/zinc/92/96/46/1021929646.db2.gz RORQACLUYAJXEK-UHFFFAOYSA-N 2 2 390.449 3.971 20 0 GHADLP Fc1cc(F)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c(F)c1 ZINC001140532627 1021929650 /nfs/dbraw/zinc/92/96/50/1021929650.db2.gz RORQACLUYAJXEK-UHFFFAOYSA-N 2 2 390.449 3.971 20 0 GHADLP CC(C)OCc1nn(CC2CC2)c2c1C[N@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140801502 1022570422 /nfs/dbraw/zinc/57/04/22/1022570422.db2.gz QAWZSSDVGMVIHV-UHFFFAOYSA-N 2 2 379.508 3.653 20 0 GHADLP CC(C)OCc1nn(CC2CC2)c2c1C[N@@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140801502 1022570433 /nfs/dbraw/zinc/57/04/33/1022570433.db2.gz QAWZSSDVGMVIHV-UHFFFAOYSA-N 2 2 379.508 3.653 20 0 GHADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cnccc1NC(=O)OC(C)(C)C ZINC001140912562 1022859863 /nfs/dbraw/zinc/85/98/63/1022859863.db2.gz DNOZKROLTJMTFO-OALUTQOASA-N 2 2 388.556 3.689 20 0 GHADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cnccc1NC(=O)OC(C)(C)C ZINC001140912562 1022859879 /nfs/dbraw/zinc/85/98/79/1022859879.db2.gz DNOZKROLTJMTFO-OALUTQOASA-N 2 2 388.556 3.689 20 0 GHADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cnccc1NC(=O)OC(C)(C)C ZINC001140912562 1022859894 /nfs/dbraw/zinc/85/98/94/1022859894.db2.gz DNOZKROLTJMTFO-OALUTQOASA-N 2 2 388.556 3.689 20 0 GHADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cnccc1NC(=O)OC(C)(C)C ZINC001140912562 1022859906 /nfs/dbraw/zinc/85/99/06/1022859906.db2.gz DNOZKROLTJMTFO-OALUTQOASA-N 2 2 388.556 3.689 20 0 GHADLP C[NH+]1CCC(Oc2cc[nH+]c(NC[C@H](c3ccccc3)[NH+]3CCCC3)c2)CC1 ZINC001156531530 1033088643 /nfs/dbraw/zinc/08/86/43/1033088643.db2.gz WTEKHCFVLHTAOV-JOCHJYFZSA-N 3 2 380.536 3.804 20 0 GHADLP C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000755865586 1023407244 /nfs/dbraw/zinc/40/72/44/1023407244.db2.gz AHUHALMJRBHMHM-GHTZIAJQSA-N 2 2 375.472 3.940 20 0 GHADLP C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000755865586 1023407247 /nfs/dbraw/zinc/40/72/47/1023407247.db2.gz AHUHALMJRBHMHM-GHTZIAJQSA-N 2 2 375.472 3.940 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc4c3cnn4[C@H]3CCCCO3)cc2)C1 ZINC001204896665 1033151177 /nfs/dbraw/zinc/15/11/77/1033151177.db2.gz FRNZJXUIRPBXJK-AUSIDOKSSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc4c3cnn4[C@H]3CCCCO3)cc2)C1 ZINC001204896665 1033151188 /nfs/dbraw/zinc/15/11/88/1033151188.db2.gz FRNZJXUIRPBXJK-AUSIDOKSSA-N 2 2 376.504 3.935 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc4ncccc4c2)CC3)n1 ZINC001138109454 1024128468 /nfs/dbraw/zinc/12/84/68/1024128468.db2.gz NCGROBYTUMKWDS-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2ccc4ncccc4c2)CC3)n1 ZINC001138109454 1024128476 /nfs/dbraw/zinc/12/84/76/1024128476.db2.gz NCGROBYTUMKWDS-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC001138134745 1024197371 /nfs/dbraw/zinc/19/73/71/1024197371.db2.gz WLVOYYIGWFHQGF-UHFFFAOYSA-N 2 2 383.536 3.905 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC001138134745 1024197384 /nfs/dbraw/zinc/19/73/84/1024197384.db2.gz WLVOYYIGWFHQGF-UHFFFAOYSA-N 2 2 383.536 3.905 20 0 GHADLP CCc1cccc2c(C[NH+]3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)c[nH]c21 ZINC001138363885 1024729909 /nfs/dbraw/zinc/72/99/09/1024729909.db2.gz WHVGIUVOUKOVAQ-UHFFFAOYSA-N 2 2 390.531 3.997 20 0 GHADLP Cn1c2ccccc2nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001138379382 1024747067 /nfs/dbraw/zinc/74/70/67/1024747067.db2.gz PKPMCBYYBUSNFP-RCZSKKKRSA-N 2 2 389.547 3.701 20 0 GHADLP Cn1c2ccccc2nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001138379382 1024747078 /nfs/dbraw/zinc/74/70/78/1024747078.db2.gz PKPMCBYYBUSNFP-RCZSKKKRSA-N 2 2 389.547 3.701 20 0 GHADLP Cn1c2ccccc2nc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001138379382 1024747086 /nfs/dbraw/zinc/74/70/86/1024747086.db2.gz PKPMCBYYBUSNFP-RCZSKKKRSA-N 2 2 389.547 3.701 20 0 GHADLP Cn1c2ccccc2nc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001138379382 1024747097 /nfs/dbraw/zinc/74/70/97/1024747097.db2.gz PKPMCBYYBUSNFP-RCZSKKKRSA-N 2 2 389.547 3.701 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccnc2NC(=O)C(C)(C)C)CC1 ZINC001138538434 1024979777 /nfs/dbraw/zinc/97/97/77/1024979777.db2.gz UVZPFZMNMKPNQY-UHFFFAOYSA-N 2 2 381.524 3.509 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001138544489 1024988354 /nfs/dbraw/zinc/98/83/54/1024988354.db2.gz JNWNRONQQYFHPR-UHFFFAOYSA-N 2 2 382.508 3.624 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4N4CCCCC4)C[C@@H]3C2)nc1 ZINC001138606364 1025094371 /nfs/dbraw/zinc/09/43/71/1025094371.db2.gz PYKFMQYXISDQOA-FGZHOGPDSA-N 2 2 376.548 3.636 20 0 GHADLP Fc1ccc(Cl)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC001138673439 1025198843 /nfs/dbraw/zinc/19/88/43/1025198843.db2.gz MGWQOSDXOMGWCA-UHFFFAOYSA-N 2 2 378.875 3.939 20 0 GHADLP Fc1ccc(Cl)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC001138673439 1025198846 /nfs/dbraw/zinc/19/88/46/1025198846.db2.gz MGWQOSDXOMGWCA-UHFFFAOYSA-N 2 2 378.875 3.939 20 0 GHADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c(Cl)nc2ccccn21 ZINC001202859388 1025255592 /nfs/dbraw/zinc/25/55/92/1025255592.db2.gz GCHNIOSYFTXIKV-UYAOXDASSA-N 2 2 398.938 3.614 20 0 GHADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c(Cl)nc2ccccn21 ZINC001202859388 1025255603 /nfs/dbraw/zinc/25/56/03/1025255603.db2.gz GCHNIOSYFTXIKV-UYAOXDASSA-N 2 2 398.938 3.614 20 0 GHADLP COc1ccc([C@H]2CSCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001139062376 1025855538 /nfs/dbraw/zinc/85/55/38/1025855538.db2.gz PSRLKBHSGMBIOV-HSZRJFAPSA-N 2 2 398.572 3.818 20 0 GHADLP COc1ccc([C@H]2CSCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001139062376 1025855561 /nfs/dbraw/zinc/85/55/61/1025855561.db2.gz PSRLKBHSGMBIOV-HSZRJFAPSA-N 2 2 398.572 3.818 20 0 GHADLP Cc1cc2cc(NC[C@H]3C[N@H+](Cc4ccccc4)CC34CC[NH2+]CC4)[nH+]cc2[nH]1 ZINC001162931668 1025971097 /nfs/dbraw/zinc/97/10/97/1025971097.db2.gz ABOOAJYZSQHWDO-NRFANRHFSA-N 3 2 389.547 3.785 20 0 GHADLP Cc1cc2cc(NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)[nH+]cc2[nH]1 ZINC001162931668 1025971101 /nfs/dbraw/zinc/97/11/01/1025971101.db2.gz ABOOAJYZSQHWDO-NRFANRHFSA-N 3 2 389.547 3.785 20 0 GHADLP Cc1cc2cc(NC[C@@H]3C[N@H+](Cc4ccccc4)CC34CC[NH2+]CC4)[nH+]cc2[nH]1 ZINC001162931669 1025971370 /nfs/dbraw/zinc/97/13/70/1025971370.db2.gz ABOOAJYZSQHWDO-OAQYLSRUSA-N 3 2 389.547 3.785 20 0 GHADLP Cc1cc2cc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)[nH+]cc2[nH]1 ZINC001162931669 1025971374 /nfs/dbraw/zinc/97/13/74/1025971374.db2.gz ABOOAJYZSQHWDO-OAQYLSRUSA-N 3 2 389.547 3.785 20 0 GHADLP C[NH+]1CCN(C2C[NH+](Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C2)CC1 ZINC001139163986 1025986300 /nfs/dbraw/zinc/98/63/00/1025986300.db2.gz CKSCBZLOLXPMJD-UHFFFAOYSA-N 2 2 380.319 3.685 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cn1 ZINC000839539666 1026032030 /nfs/dbraw/zinc/03/20/30/1026032030.db2.gz RLRGBHKVZIUFME-UHFFFAOYSA-N 2 2 375.476 3.814 20 0 GHADLP COc1ccccc1-n1c[nH+]c2cc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)ccc21 ZINC001163289297 1026126900 /nfs/dbraw/zinc/12/69/00/1026126900.db2.gz MDFIHHDVMRVFRW-SBUREZEXSA-N 2 2 392.503 3.605 20 0 GHADLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1ccccc1C(F)(F)F ZINC001139324802 1026185067 /nfs/dbraw/zinc/18/50/67/1026185067.db2.gz PSSQBLORQVTNRQ-UHFFFAOYSA-N 2 2 384.471 3.546 20 0 GHADLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1ccccc1C(F)(F)F ZINC001139324802 1026185074 /nfs/dbraw/zinc/18/50/74/1026185074.db2.gz PSSQBLORQVTNRQ-UHFFFAOYSA-N 2 2 384.471 3.546 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc4cc(O)ccc4c2)CC3)cn1 ZINC001139336126 1026197892 /nfs/dbraw/zinc/19/78/92/1026197892.db2.gz ZZZADWJXWVSIOU-UHFFFAOYSA-N 2 2 390.531 3.910 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccc4cc(O)ccc4c2)CC3)cn1 ZINC001139336126 1026197898 /nfs/dbraw/zinc/19/78/98/1026197898.db2.gz ZZZADWJXWVSIOU-UHFFFAOYSA-N 2 2 390.531 3.910 20 0 GHADLP O=C(OCc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139364539 1026240601 /nfs/dbraw/zinc/24/06/01/1026240601.db2.gz VZMSCLVFUVBHLW-OAQYLSRUSA-N 2 2 375.472 3.828 20 0 GHADLP O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139364539 1026240615 /nfs/dbraw/zinc/24/06/15/1026240615.db2.gz VZMSCLVFUVBHLW-OAQYLSRUSA-N 2 2 375.472 3.828 20 0 GHADLP C[C@H]1CN(c2ccc(C[N@H+](C3CCCC3)C3CC[NH+](C)CC3)cn2)C[C@H](C)O1 ZINC001139389549 1026256703 /nfs/dbraw/zinc/25/67/03/1026256703.db2.gz ULWHCWNONKHFOK-OALUTQOASA-N 2 2 386.584 3.534 20 0 GHADLP C[C@H]1CN(c2ccc(C[N@@H+](C3CCCC3)C3CC[NH+](C)CC3)cn2)C[C@H](C)O1 ZINC001139389549 1026256713 /nfs/dbraw/zinc/25/67/13/1026256713.db2.gz ULWHCWNONKHFOK-OALUTQOASA-N 2 2 386.584 3.534 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)Cc2ccccc2-n2cncn2)CC1 ZINC001139422413 1026292508 /nfs/dbraw/zinc/29/25/08/1026292508.db2.gz FMHNRYHOILUAMA-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)Cc2ccccc2-n2cncn2)CC1 ZINC001139422413 1026292523 /nfs/dbraw/zinc/29/25/23/1026292523.db2.gz FMHNRYHOILUAMA-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cccc(Cl)n4)CC3)C2)cc1 ZINC001139549005 1026413847 /nfs/dbraw/zinc/41/38/47/1026413847.db2.gz ZMCNFSFOJRXTHU-UHFFFAOYSA-N 2 2 385.939 3.910 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc(Cl)n4)CC3)C2)cc1 ZINC001139549005 1026413850 /nfs/dbraw/zinc/41/38/50/1026413850.db2.gz ZMCNFSFOJRXTHU-UHFFFAOYSA-N 2 2 385.939 3.910 20 0 GHADLP C[NH+](C)C1(CNc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)CC[NH+](C)CC1 ZINC001164216657 1026455615 /nfs/dbraw/zinc/45/56/15/1026455615.db2.gz HFNRBFWIHGPBDX-UHFFFAOYSA-N 3 2 378.564 3.640 20 0 GHADLP C[NH+](C)C1(CNc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)CC[NH+](C)CC1 ZINC001164216657 1026455621 /nfs/dbraw/zinc/45/56/21/1026455621.db2.gz HFNRBFWIHGPBDX-UHFFFAOYSA-N 3 2 378.564 3.640 20 0 GHADLP COc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001139764443 1026602589 /nfs/dbraw/zinc/60/25/89/1026602589.db2.gz LVMGJKNORZPMIH-DEOSSOPVSA-N 2 2 396.531 3.743 20 0 GHADLP COc1cccc([C@@H]2CCC[N@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001139764443 1026602597 /nfs/dbraw/zinc/60/25/97/1026602597.db2.gz LVMGJKNORZPMIH-DEOSSOPVSA-N 2 2 396.531 3.743 20 0 GHADLP COc1ccccc1[C@@H](C)[N@H+](C)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139764123 1026603139 /nfs/dbraw/zinc/60/31/39/1026603139.db2.gz GKSKEGXTHGHIKA-LJQANCHMSA-N 2 2 384.520 3.599 20 0 GHADLP COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139764123 1026603151 /nfs/dbraw/zinc/60/31/51/1026603151.db2.gz GKSKEGXTHGHIKA-LJQANCHMSA-N 2 2 384.520 3.599 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001140025021 1026812033 /nfs/dbraw/zinc/81/20/33/1026812033.db2.gz LMPQHLVXEHDTQY-UHFFFAOYSA-N 2 2 385.471 3.832 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001140025021 1026812038 /nfs/dbraw/zinc/81/20/38/1026812038.db2.gz LMPQHLVXEHDTQY-UHFFFAOYSA-N 2 2 385.471 3.832 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001140027189 1026815825 /nfs/dbraw/zinc/81/58/25/1026815825.db2.gz BOULAYBUIQOWJC-QFIPXVFZSA-N 2 2 384.524 3.917 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001140027189 1026815833 /nfs/dbraw/zinc/81/58/33/1026815833.db2.gz BOULAYBUIQOWJC-QFIPXVFZSA-N 2 2 384.524 3.917 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001140027928 1026816974 /nfs/dbraw/zinc/81/69/74/1026816974.db2.gz HEIMLNOYMUSTII-UHFFFAOYSA-N 2 2 391.397 3.962 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001140030193 1026820424 /nfs/dbraw/zinc/82/04/24/1026820424.db2.gz XRXODUMSLLVZBM-YSIASYRMSA-N 2 2 396.535 3.916 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001140030193 1026820437 /nfs/dbraw/zinc/82/04/37/1026820437.db2.gz XRXODUMSLLVZBM-YSIASYRMSA-N 2 2 396.535 3.916 20 0 GHADLP CSc1nccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001140033746 1026822176 /nfs/dbraw/zinc/82/21/76/1026822176.db2.gz PUOHLIYWIHBEMD-KFKAGJAMSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1nccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001140033746 1026822185 /nfs/dbraw/zinc/82/21/85/1026822185.db2.gz PUOHLIYWIHBEMD-KFKAGJAMSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1nccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001140033746 1026822192 /nfs/dbraw/zinc/82/21/92/1026822192.db2.gz PUOHLIYWIHBEMD-KFKAGJAMSA-N 2 2 388.606 3.993 20 0 GHADLP CSc1nccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001140033746 1026822201 /nfs/dbraw/zinc/82/22/01/1026822201.db2.gz PUOHLIYWIHBEMD-KFKAGJAMSA-N 2 2 388.606 3.993 20 0 GHADLP COc1cc(C[NH+]2CCOCC2)ccc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001166909926 1027148966 /nfs/dbraw/zinc/14/89/66/1027148966.db2.gz KPWGTPBICHHQKS-QHCPKHFHSA-N 2 2 395.547 3.776 20 0 GHADLP CC(C)(C)OC(=O)NC[C@](C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC001461206542 1069442848 /nfs/dbraw/zinc/44/28/48/1069442848.db2.gz CLNWSNMEIZEAQK-IBGZPJMESA-N 2 2 376.526 3.717 20 0 GHADLP COc1cc(C)c(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1OC ZINC001461240164 1069458285 /nfs/dbraw/zinc/45/82/85/1069458285.db2.gz CNHQUMAREMCIGZ-UHFFFAOYSA-N 2 2 383.536 3.837 20 0 GHADLP Clc1cccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1 ZINC001203800798 1027615453 /nfs/dbraw/zinc/61/54/53/1027615453.db2.gz XMUFETUVVRFLOR-HJNYFJLDSA-N 2 2 384.955 3.912 20 0 GHADLP Clc1cccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1 ZINC001203800798 1027615463 /nfs/dbraw/zinc/61/54/63/1027615463.db2.gz XMUFETUVVRFLOR-HJNYFJLDSA-N 2 2 384.955 3.912 20 0 GHADLP Clc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c1 ZINC001203800798 1027615468 /nfs/dbraw/zinc/61/54/68/1027615468.db2.gz XMUFETUVVRFLOR-HJNYFJLDSA-N 2 2 384.955 3.912 20 0 GHADLP Clc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c1 ZINC001203800798 1027615475 /nfs/dbraw/zinc/61/54/75/1027615475.db2.gz XMUFETUVVRFLOR-HJNYFJLDSA-N 2 2 384.955 3.912 20 0 GHADLP CCOc1c(Br)cc(C[NH2+]CCCNc2cccc[nH+]2)cc1OC ZINC001461266059 1069470254 /nfs/dbraw/zinc/47/02/54/1069470254.db2.gz XTIUQPPXKIKWIN-UHFFFAOYSA-N 2 2 394.313 3.843 20 0 GHADLP Cn1c2ccc(F)cc2[nH+]c1NCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC001204078645 1027855308 /nfs/dbraw/zinc/85/53/08/1027855308.db2.gz CLRNLGGGVONTLC-UHFFFAOYSA-N 2 2 387.890 3.730 20 0 GHADLP COc1cc(Cl)c(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1OC ZINC001461356573 1069516845 /nfs/dbraw/zinc/51/68/45/1069516845.db2.gz GRKZQPQFYFXVQQ-INIZCTEOSA-N 2 2 390.915 3.505 20 0 GHADLP C[NH+](C)Cc1nc(CNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)co1 ZINC001214368019 1028697659 /nfs/dbraw/zinc/69/76/59/1028697659.db2.gz OOYGQQMLOANANB-UHFFFAOYSA-N 2 2 399.539 3.822 20 0 GHADLP C[NH+](C)Cc1nc(CNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)co1 ZINC001214368019 1028697671 /nfs/dbraw/zinc/69/76/71/1028697671.db2.gz OOYGQQMLOANANB-UHFFFAOYSA-N 2 2 399.539 3.822 20 0 GHADLP CSc1ccccc1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001461460706 1069559968 /nfs/dbraw/zinc/55/99/68/1069559968.db2.gz IBEQZHVDWDZTSA-GOSISDBHSA-N 2 2 386.561 3.970 20 0 GHADLP CC(C)C[NH2+]Cc1ccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001215745519 1029377789 /nfs/dbraw/zinc/37/77/89/1029377789.db2.gz SNOQCWUIYMYGRU-UHFFFAOYSA-N 2 2 383.536 3.887 20 0 GHADLP Brc1ccn2cc(C[N@@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)nc2c1 ZINC001222166812 1029984454 /nfs/dbraw/zinc/98/44/54/1029984454.db2.gz CLYBKAGTUYQQSH-IBGZPJMESA-N 2 2 391.357 3.843 20 0 GHADLP Brc1ccn2cc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)nc2c1 ZINC001222166812 1029984464 /nfs/dbraw/zinc/98/44/64/1029984464.db2.gz CLYBKAGTUYQQSH-IBGZPJMESA-N 2 2 391.357 3.843 20 0 GHADLP Fc1c(Cl)ccc(C(F)(F)F)c1C[N@@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222402074 1030109494 /nfs/dbraw/zinc/10/94/94/1030109494.db2.gz XQZMNGUDWKZYEA-UHFFFAOYSA-N 2 2 380.813 3.700 20 0 GHADLP Fc1c(Cl)ccc(C(F)(F)F)c1C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222402074 1030109507 /nfs/dbraw/zinc/10/95/07/1030109507.db2.gz XQZMNGUDWKZYEA-UHFFFAOYSA-N 2 2 380.813 3.700 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(C)cc1I ZINC001461635382 1069650768 /nfs/dbraw/zinc/65/07/68/1069650768.db2.gz XWEGENDLWCXDDT-HNNXBMFYSA-N 2 2 386.321 3.870 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(C)cc1I ZINC001461635382 1069650771 /nfs/dbraw/zinc/65/07/71/1069650771.db2.gz XWEGENDLWCXDDT-HNNXBMFYSA-N 2 2 386.321 3.870 20 0 GHADLP CCc1cccnc1-c1noc(-c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)n1 ZINC001217114404 1030176141 /nfs/dbraw/zinc/17/61/41/1030176141.db2.gz MRSVIDFFTISYAZ-UHFFFAOYSA-N 2 2 379.508 3.745 20 0 GHADLP CCc1cccnc1-c1noc(-c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)n1 ZINC001217114404 1030176154 /nfs/dbraw/zinc/17/61/54/1030176154.db2.gz MRSVIDFFTISYAZ-UHFFFAOYSA-N 2 2 379.508 3.745 20 0 GHADLP COc1ccc(Br)c(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222602111 1030226512 /nfs/dbraw/zinc/22/65/12/1030226512.db2.gz IBFUZHUOWLPZQR-GOSISDBHSA-N 2 2 387.321 3.647 20 0 GHADLP COc1ccc(Br)c(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222602111 1030226527 /nfs/dbraw/zinc/22/65/27/1030226527.db2.gz IBFUZHUOWLPZQR-GOSISDBHSA-N 2 2 387.321 3.647 20 0 GHADLP CC[NH+]1CCN(c2ccc(NCc3cc(-n4cc[nH+]c4)cs3)cc2F)CC1 ZINC001461707705 1069692753 /nfs/dbraw/zinc/69/27/53/1069692753.db2.gz VQAQKCABFKEQKP-UHFFFAOYSA-N 2 2 385.512 3.827 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218337271 1030900892 /nfs/dbraw/zinc/90/08/92/1030900892.db2.gz WGPFOHLCCTUEPD-YKSBVNFPSA-N 3 2 393.575 3.899 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218337271 1030900901 /nfs/dbraw/zinc/90/09/01/1030900901.db2.gz WGPFOHLCCTUEPD-YKSBVNFPSA-N 3 2 393.575 3.899 20 0 GHADLP O=C(C[C@H]1CC2(CC[NH2+]CC2)c2cc(F)ccc21)Nc1cccc2[nH+]ccn21 ZINC001218499376 1030962769 /nfs/dbraw/zinc/96/27/69/1030962769.db2.gz UPEWWBVQSLYMFN-HNNXBMFYSA-N 2 2 378.451 3.611 20 0 GHADLP O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)[C@@H]1Cc2cc(O)ccc2C[NH2+]1 ZINC001218847951 1031112190 /nfs/dbraw/zinc/11/21/90/1031112190.db2.gz LRWMMGHLWJZSLG-DEOSSOPVSA-N 2 2 399.494 3.561 20 0 GHADLP O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)[C@@H]1Cc2cc(O)ccc2C[NH2+]1 ZINC001218847951 1031112194 /nfs/dbraw/zinc/11/21/94/1031112194.db2.gz LRWMMGHLWJZSLG-DEOSSOPVSA-N 2 2 399.494 3.561 20 0 GHADLP [NH3+][C@@H](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cc1)Cc1cccc2ccccc21 ZINC001218847068 1031112677 /nfs/dbraw/zinc/11/26/77/1031112677.db2.gz AJUBISMUBXAKEZ-OAQYLSRUSA-N 2 2 384.483 3.983 20 0 GHADLP CC(C)Oc1cc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)c(Cl)cc1Cl ZINC001219126932 1031263375 /nfs/dbraw/zinc/26/33/75/1031263375.db2.gz UNYMBKDFPZBHCW-HNNXBMFYSA-N 2 2 382.291 3.991 20 0 GHADLP CCCCC[N@H+](C)CCC(=O)Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219456870 1031431327 /nfs/dbraw/zinc/43/13/27/1031431327.db2.gz VEXHYXQPTCFQRP-GOSISDBHSA-N 2 2 383.483 3.513 20 0 GHADLP CCCCC[N@@H+](C)CCC(=O)Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219456870 1031431339 /nfs/dbraw/zinc/43/13/39/1031431339.db2.gz VEXHYXQPTCFQRP-GOSISDBHSA-N 2 2 383.483 3.513 20 0 GHADLP CC(C)C1(C(=O)NC2C[NH+](C(c3ccccc3)c3ccccc3)C2)CC[NH2+]CC1 ZINC001219716482 1031577333 /nfs/dbraw/zinc/57/73/33/1031577333.db2.gz PMOAZYBJRQEWFM-UHFFFAOYSA-N 2 2 391.559 3.602 20 0 GHADLP [NH3+]Cc1ccccc1C(=O)N1CC[NH+]=C1CN(Cc1ccccc1)c1ccccc1 ZINC001220443795 1031943588 /nfs/dbraw/zinc/94/35/88/1031943588.db2.gz WGYRRWUWBZVYFM-UHFFFAOYSA-N 2 2 398.510 3.706 20 0 GHADLP C[NH2+][C@H](Cc1ccccc1)C(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001220533726 1031980776 /nfs/dbraw/zinc/98/07/76/1031980776.db2.gz REIRRZRGEXRDGL-RTBURBONSA-N 2 2 394.346 3.543 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2Br)C[C@@H]1C[NH3+] ZINC001205319044 1033358170 /nfs/dbraw/zinc/35/81/70/1033358170.db2.gz XWVOREDIDSJOJC-JQWIXIFHSA-N 2 2 381.236 3.764 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2Br)C[C@@H]1C[NH3+] ZINC001205319044 1033358184 /nfs/dbraw/zinc/35/81/84/1033358184.db2.gz XWVOREDIDSJOJC-JQWIXIFHSA-N 2 2 381.236 3.764 20 0 GHADLP COc1ccc(SCC[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001205411463 1033399256 /nfs/dbraw/zinc/39/92/56/1033399256.db2.gz FJMPYGHHFATYJH-NRFANRHFSA-N 2 2 386.561 3.668 20 0 GHADLP COc1ccc(SCC[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001205411463 1033399265 /nfs/dbraw/zinc/39/92/65/1033399265.db2.gz FJMPYGHHFATYJH-NRFANRHFSA-N 2 2 386.561 3.668 20 0 GHADLP C[N@H+](Cc1ccc(F)cc1)C1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC001157074521 1033402141 /nfs/dbraw/zinc/40/21/41/1033402141.db2.gz IKAUGVICOHYOKT-UHFFFAOYSA-N 2 2 383.515 3.707 20 0 GHADLP C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC001157074521 1033402150 /nfs/dbraw/zinc/40/21/50/1033402150.db2.gz IKAUGVICOHYOKT-UHFFFAOYSA-N 2 2 383.515 3.707 20 0 GHADLP C[N@H+](Cc1ccc(F)cc1)C1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC001157074521 1033402156 /nfs/dbraw/zinc/40/21/56/1033402156.db2.gz IKAUGVICOHYOKT-UHFFFAOYSA-N 2 2 383.515 3.707 20 0 GHADLP C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC001157074521 1033402166 /nfs/dbraw/zinc/40/21/66/1033402166.db2.gz IKAUGVICOHYOKT-UHFFFAOYSA-N 2 2 383.515 3.707 20 0 GHADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Br)cc1N1CCCCC1 ZINC001205901605 1033627979 /nfs/dbraw/zinc/62/79/79/1033627979.db2.gz DQBQTUJTHTZCNG-HZPDHXFCSA-N 2 2 380.374 3.999 20 0 GHADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(Br)cc1N1CCCCC1 ZINC001205901605 1033627994 /nfs/dbraw/zinc/62/79/94/1033627994.db2.gz DQBQTUJTHTZCNG-HZPDHXFCSA-N 2 2 380.374 3.999 20 0 GHADLP COCc1cc[nH+]c(N2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001157667321 1033711222 /nfs/dbraw/zinc/71/12/22/1033711222.db2.gz HNVHUDNZFOILGD-UHFFFAOYSA-N 2 2 395.547 3.878 20 0 GHADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)cc1Br ZINC001206806752 1033992458 /nfs/dbraw/zinc/99/24/58/1033992458.db2.gz HLJOMTSDWSWCRB-WDEREUQCSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)F)cc1Br ZINC001206806752 1033992460 /nfs/dbraw/zinc/99/24/60/1033992460.db2.gz HLJOMTSDWSWCRB-WDEREUQCSA-N 2 2 381.236 3.907 20 0 GHADLP Cc1nn(C(=O)OC(C)(C)C)c(C)c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001206817007 1033997479 /nfs/dbraw/zinc/99/74/79/1033997479.db2.gz PEKWXBNEWFORET-QGZVFWFLSA-N 2 2 386.496 3.640 20 0 GHADLP Cc1nn(C(=O)OC(C)(C)C)c(C)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001206817007 1033997480 /nfs/dbraw/zinc/99/74/80/1033997480.db2.gz PEKWXBNEWFORET-QGZVFWFLSA-N 2 2 386.496 3.640 20 0 GHADLP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001207188075 1034159532 /nfs/dbraw/zinc/15/95/32/1034159532.db2.gz SNLSXAIISJBJJH-QUCCMNQESA-N 2 2 399.970 3.579 20 0 GHADLP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001207188075 1034159539 /nfs/dbraw/zinc/15/95/39/1034159539.db2.gz SNLSXAIISJBJJH-QUCCMNQESA-N 2 2 399.970 3.579 20 0 GHADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)nc1 ZINC001158628860 1034209488 /nfs/dbraw/zinc/20/94/88/1034209488.db2.gz OYRGOBSEFAQKGA-RTBURBONSA-N 2 2 378.511 3.938 20 0 GHADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)nc1 ZINC001158628860 1034209501 /nfs/dbraw/zinc/20/95/01/1034209501.db2.gz OYRGOBSEFAQKGA-RTBURBONSA-N 2 2 378.511 3.938 20 0 GHADLP CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC001159118560 1034432661 /nfs/dbraw/zinc/43/26/61/1034432661.db2.gz AJMYDWFJMKRURM-OAQYLSRUSA-N 2 2 378.520 3.847 20 0 GHADLP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC001159118560 1034432663 /nfs/dbraw/zinc/43/26/63/1034432663.db2.gz AJMYDWFJMKRURM-OAQYLSRUSA-N 2 2 378.520 3.847 20 0 GHADLP CCOC(=O)CCCc1[nH+]c2cc(Nc3ccc4c(c3)CC[NH2+]C4)ccc2n1C ZINC001159660721 1034706166 /nfs/dbraw/zinc/70/61/66/1034706166.db2.gz ULEHXIXPRHNWJK-UHFFFAOYSA-N 2 2 392.503 3.848 20 0 GHADLP Fc1cc(OCC[NH+]2CCOCC2)ccc1Nc1cccc(C2CC[NH2+]CC2)c1 ZINC001159763137 1034735241 /nfs/dbraw/zinc/73/52/41/1034735241.db2.gz CHCRUCSVWWJKLW-UHFFFAOYSA-N 2 2 399.510 3.747 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@H](C)Cc1ccc3c(c1)OCO3)[C@H]2C ZINC001208213223 1034803464 /nfs/dbraw/zinc/80/34/64/1034803464.db2.gz HJFUQWZGZWIWDK-MSOLQXFVSA-N 2 2 398.551 3.707 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@H](C)Cc1ccc3c(c1)OCO3)[C@H]2C ZINC001208213223 1034803477 /nfs/dbraw/zinc/80/34/77/1034803477.db2.gz HJFUQWZGZWIWDK-MSOLQXFVSA-N 2 2 398.551 3.707 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@H](C)Cc1ccc3c(c1)OCO3)[C@H]2C ZINC001208213223 1034803498 /nfs/dbraw/zinc/80/34/98/1034803498.db2.gz HJFUQWZGZWIWDK-MSOLQXFVSA-N 2 2 398.551 3.707 20 0 GHADLP FC1(F)CN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC[C@H]1[NH+]1CCCC1 ZINC001208592717 1034947857 /nfs/dbraw/zinc/94/78/57/1034947857.db2.gz AHTDGGGAEMCXHY-LEWJYISDSA-N 2 2 377.523 3.847 20 0 GHADLP FC1(F)CN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC[C@H]1[NH+]1CCCC1 ZINC001208592717 1034947862 /nfs/dbraw/zinc/94/78/62/1034947862.db2.gz AHTDGGGAEMCXHY-LEWJYISDSA-N 2 2 377.523 3.847 20 0 GHADLP Cc1ccc([C@@H](C(=O)N2CC[C@H](c3ccccc3F)C2)[NH+]2CCC([NH3+])CC2)cc1 ZINC001160534049 1034996944 /nfs/dbraw/zinc/99/69/44/1034996944.db2.gz GVRRPPYTUMPLIH-CVDCTZTESA-N 2 2 395.522 3.614 20 0 GHADLP COc1ccc(CC[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1OC ZINC001208759935 1035004301 /nfs/dbraw/zinc/00/43/01/1035004301.db2.gz AGAKIGSASBACQT-UHFFFAOYSA-N 2 2 380.532 3.769 20 0 GHADLP COc1ccc(CC[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1OC ZINC001208759935 1035004310 /nfs/dbraw/zinc/00/43/10/1035004310.db2.gz AGAKIGSASBACQT-UHFFFAOYSA-N 2 2 380.532 3.769 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](F)[C@@H](F)C3)CC2)cc1 ZINC001208816873 1035036816 /nfs/dbraw/zinc/03/68/16/1035036816.db2.gz IEPFXFSBPQVFKJ-BGYRXZFFSA-N 2 2 394.506 3.846 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](F)[C@@H](F)C3)CC2)cc1 ZINC001208816873 1035036822 /nfs/dbraw/zinc/03/68/22/1035036822.db2.gz IEPFXFSBPQVFKJ-BGYRXZFFSA-N 2 2 394.506 3.846 20 0 GHADLP Fc1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1F ZINC001208931995 1035094520 /nfs/dbraw/zinc/09/45/20/1035094520.db2.gz MYHKYJFBZCSFDV-HXUWFJFHSA-N 2 2 385.502 3.999 20 0 GHADLP Fc1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1F ZINC001208931995 1035094526 /nfs/dbraw/zinc/09/45/26/1035094526.db2.gz MYHKYJFBZCSFDV-HXUWFJFHSA-N 2 2 385.502 3.999 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](C[C@H]4CCC[N@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208935763 1035101945 /nfs/dbraw/zinc/10/19/45/1035101945.db2.gz LJWBAMCPFDVKQK-JIMJEQGWSA-N 3 2 389.587 3.962 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](C[C@H]4CCC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208935763 1035101948 /nfs/dbraw/zinc/10/19/48/1035101948.db2.gz LJWBAMCPFDVKQK-JIMJEQGWSA-N 3 2 389.587 3.962 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208938327 1035106402 /nfs/dbraw/zinc/10/64/02/1035106402.db2.gz VXDSXVGCBUXGOC-HKBOAZHASA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208938327 1035106405 /nfs/dbraw/zinc/10/64/05/1035106405.db2.gz VXDSXVGCBUXGOC-HKBOAZHASA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208938327 1035106411 /nfs/dbraw/zinc/10/64/11/1035106411.db2.gz VXDSXVGCBUXGOC-HKBOAZHASA-N 2 2 385.552 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208938327 1035106416 /nfs/dbraw/zinc/10/64/16/1035106416.db2.gz VXDSXVGCBUXGOC-HKBOAZHASA-N 2 2 385.552 3.592 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CCO[C@H]4[C@H](OCC5CCCC5)CC[C@@H]43)C2)cc1 ZINC001208940394 1035109439 /nfs/dbraw/zinc/10/94/39/1035109439.db2.gz CMFORMQSAHEIMG-CXSMSNRLSA-N 2 2 398.591 3.947 20 0 GHADLP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CCO[C@H]4[C@H](OCC5CCCC5)CC[C@@H]43)C2)cc1 ZINC001208940394 1035109445 /nfs/dbraw/zinc/10/94/45/1035109445.db2.gz CMFORMQSAHEIMG-CXSMSNRLSA-N 2 2 398.591 3.947 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCO[C@H]4[C@H](OCC5CCCC5)CC[C@@H]43)C2)cc1 ZINC001208940394 1035109450 /nfs/dbraw/zinc/10/94/50/1035109450.db2.gz CMFORMQSAHEIMG-CXSMSNRLSA-N 2 2 398.591 3.947 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCO[C@H]4[C@H](OCC5CCCC5)CC[C@@H]43)C2)cc1 ZINC001208940394 1035109453 /nfs/dbraw/zinc/10/94/53/1035109453.db2.gz CMFORMQSAHEIMG-CXSMSNRLSA-N 2 2 398.591 3.947 20 0 GHADLP Cc1cccc(C[C@]2(C(=O)N(C)Cc3ccc(-n4cc[nH+]c4)cc3)CCC[NH2+]2)c1 ZINC001161031275 1035122530 /nfs/dbraw/zinc/12/25/30/1035122530.db2.gz YUVLCIJSZMOPPV-DEOSSOPVSA-N 2 2 388.515 3.504 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](CCCc1ccncc1)C2 ZINC001209185806 1035204165 /nfs/dbraw/zinc/20/41/65/1035204165.db2.gz KDLJTLCXPDHLNS-UHFFFAOYSA-N 2 2 376.504 3.693 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](CCCc1ccncc1)C2 ZINC001209185806 1035204168 /nfs/dbraw/zinc/20/41/68/1035204168.db2.gz KDLJTLCXPDHLNS-UHFFFAOYSA-N 2 2 376.504 3.693 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](CCCc1ccncc1)C2 ZINC001209185806 1035204172 /nfs/dbraw/zinc/20/41/72/1035204172.db2.gz KDLJTLCXPDHLNS-UHFFFAOYSA-N 2 2 376.504 3.693 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](CCCc1ccncc1)C2 ZINC001209185806 1035204175 /nfs/dbraw/zinc/20/41/75/1035204175.db2.gz KDLJTLCXPDHLNS-UHFFFAOYSA-N 2 2 376.504 3.693 20 0 GHADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](CCc1ccccc1C(F)(F)F)C2 ZINC001209285914 1035231206 /nfs/dbraw/zinc/23/12/06/1035231206.db2.gz SBNMLEQIXBQFDW-UHFFFAOYSA-N 2 2 395.473 3.586 20 0 GHADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](CCc1ccccc1C(F)(F)F)C2 ZINC001209285914 1035231208 /nfs/dbraw/zinc/23/12/08/1035231208.db2.gz SBNMLEQIXBQFDW-UHFFFAOYSA-N 2 2 395.473 3.586 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](CCc1ccccc1C(F)(F)F)C2 ZINC001209285914 1035231211 /nfs/dbraw/zinc/23/12/11/1035231211.db2.gz SBNMLEQIXBQFDW-UHFFFAOYSA-N 2 2 395.473 3.586 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](CCc1ccccc1C(F)(F)F)C2 ZINC001209285914 1035231214 /nfs/dbraw/zinc/23/12/14/1035231214.db2.gz SBNMLEQIXBQFDW-UHFFFAOYSA-N 2 2 395.473 3.586 20 0 GHADLP CCOC(=O)CCCCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001209348825 1035248400 /nfs/dbraw/zinc/24/84/00/1035248400.db2.gz ORERCAMQGWUPLA-ZWKOTPCHSA-N 2 2 379.570 3.553 20 0 GHADLP CCOC(=O)CCCCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001209348825 1035248404 /nfs/dbraw/zinc/24/84/04/1035248404.db2.gz ORERCAMQGWUPLA-ZWKOTPCHSA-N 2 2 379.570 3.553 20 0 GHADLP CCOC(=O)CCCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001209348825 1035248406 /nfs/dbraw/zinc/24/84/06/1035248406.db2.gz ORERCAMQGWUPLA-ZWKOTPCHSA-N 2 2 379.570 3.553 20 0 GHADLP CCOC(=O)CCCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001209348825 1035248410 /nfs/dbraw/zinc/24/84/10/1035248410.db2.gz ORERCAMQGWUPLA-ZWKOTPCHSA-N 2 2 379.570 3.553 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cnc(Cl)s4)CC3)C2)cc1 ZINC001209471228 1035284867 /nfs/dbraw/zinc/28/48/67/1035284867.db2.gz IOCIRXYGBLHASJ-UHFFFAOYSA-N 2 2 391.968 3.972 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cnc(Cl)s4)CC3)C2)cc1 ZINC001209471228 1035284872 /nfs/dbraw/zinc/28/48/72/1035284872.db2.gz IOCIRXYGBLHASJ-UHFFFAOYSA-N 2 2 391.968 3.972 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4ccc5cc[nH]c5c4)CC[C@@H]3C2)cs1 ZINC001209511143 1035298410 /nfs/dbraw/zinc/29/84/10/1035298410.db2.gz NLDVOXXDMSCPRE-DENIHFKCSA-N 2 2 396.560 3.656 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4ccc5cc[nH]c5c4)CC[C@@H]3C2)cs1 ZINC001209511143 1035298418 /nfs/dbraw/zinc/29/84/18/1035298418.db2.gz NLDVOXXDMSCPRE-DENIHFKCSA-N 2 2 396.560 3.656 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4ccc5cc[nH]c5c4)CC[C@@H]3C2)cs1 ZINC001209511143 1035298425 /nfs/dbraw/zinc/29/84/25/1035298425.db2.gz NLDVOXXDMSCPRE-DENIHFKCSA-N 2 2 396.560 3.656 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4ccc5cc[nH]c5c4)CC[C@@H]3C2)cs1 ZINC001209511143 1035298433 /nfs/dbraw/zinc/29/84/33/1035298433.db2.gz NLDVOXXDMSCPRE-DENIHFKCSA-N 2 2 396.560 3.656 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1C ZINC001209611758 1035329726 /nfs/dbraw/zinc/32/97/26/1035329726.db2.gz VMIIPEYRAVEBNK-XMMPIXPASA-N 2 2 395.547 3.906 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1C ZINC001209611758 1035329734 /nfs/dbraw/zinc/32/97/34/1035329734.db2.gz VMIIPEYRAVEBNK-XMMPIXPASA-N 2 2 395.547 3.906 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1C ZINC001209611758 1035329739 /nfs/dbraw/zinc/32/97/39/1035329739.db2.gz VMIIPEYRAVEBNK-XMMPIXPASA-N 2 2 395.547 3.906 20 0 GHADLP CCOC(=O)c1c(C)[nH]c(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C ZINC001209611758 1035329744 /nfs/dbraw/zinc/32/97/44/1035329744.db2.gz VMIIPEYRAVEBNK-XMMPIXPASA-N 2 2 395.547 3.906 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c4cc(F)ccc34)CC2)C1 ZINC001209687119 1035355910 /nfs/dbraw/zinc/35/59/10/1035355910.db2.gz MMHHKQMUKJTOND-INIZCTEOSA-N 2 2 387.499 3.547 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c4cc(F)ccc34)CC2)C1 ZINC001209687119 1035355913 /nfs/dbraw/zinc/35/59/13/1035355913.db2.gz MMHHKQMUKJTOND-INIZCTEOSA-N 2 2 387.499 3.547 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2c[nH]c4cc(F)ccc24)CC3)n1 ZINC001209693087 1035357922 /nfs/dbraw/zinc/35/79/22/1035357922.db2.gz PIFMREUBFCJMSJ-UHFFFAOYSA-N 2 2 381.499 3.671 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2c[nH]c4cc(F)ccc24)CC3)n1 ZINC001209693087 1035357927 /nfs/dbraw/zinc/35/79/27/1035357927.db2.gz PIFMREUBFCJMSJ-UHFFFAOYSA-N 2 2 381.499 3.671 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4c(cnn4[C@@H]4CCCCO4)c3)cc2)C1 ZINC001242449740 1035910150 /nfs/dbraw/zinc/91/01/50/1035910150.db2.gz AOMBMYRTNCBAER-GGAORHGYSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4c(cnn4[C@@H]4CCCCO4)c3)cc2)C1 ZINC001242449740 1035910153 /nfs/dbraw/zinc/91/01/53/1035910153.db2.gz AOMBMYRTNCBAER-GGAORHGYSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc3c(cnn3[C@H]3CCCCO3)c2)C1 ZINC001242451519 1035911464 /nfs/dbraw/zinc/91/14/64/1035911464.db2.gz PFHDNOKNRALVGE-NZQKXSOJSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc3c(cnn3[C@H]3CCCCO3)c2)C1 ZINC001242451519 1035911469 /nfs/dbraw/zinc/91/14/69/1035911469.db2.gz PFHDNOKNRALVGE-NZQKXSOJSA-N 2 2 376.504 3.935 20 0 GHADLP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3cc(Cl)c(F)cc3F)CC2)C1 ZINC001278372705 1036320144 /nfs/dbraw/zinc/32/01/44/1036320144.db2.gz LCDKKUJRFWVJIU-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3cc(Cl)c(F)cc3F)CC2)C1 ZINC001278372705 1036320167 /nfs/dbraw/zinc/32/01/67/1036320167.db2.gz LCDKKUJRFWVJIU-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP O[C@@H](C[NH2+]C[C@@]1(F)CC[NH2+]C1)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245984309 1037108374 /nfs/dbraw/zinc/10/83/74/1037108374.db2.gz JAVRZQGONNUVBJ-AZUAARDMSA-N 2 2 395.305 3.889 20 0 GHADLP O[C@@H](C[NH2+]C1(c2cccc(F)c2)CC[NH2+]CC1)COc1cccc2ccccc21 ZINC001246009331 1037130238 /nfs/dbraw/zinc/13/02/38/1037130238.db2.gz YDVRECKOCXDDFT-NRFANRHFSA-N 2 2 394.490 3.587 20 0 GHADLP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)CC2 ZINC001246201654 1037236144 /nfs/dbraw/zinc/23/61/44/1037236144.db2.gz INGBJSPXJGRBFD-KSSFIOAISA-N 2 2 396.959 3.635 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC[NH2+]1 ZINC001246239100 1037250200 /nfs/dbraw/zinc/25/02/00/1037250200.db2.gz INOUEXHMJBWXQD-GMAHTHKFSA-N 2 2 378.495 3.962 20 0 GHADLP Clc1nc(C[NH2+][C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)ccc1Br ZINC001246272607 1037269104 /nfs/dbraw/zinc/26/91/04/1037269104.db2.gz RDCQPNQYDDPDHL-ZBFHGGJFSA-N 2 2 394.744 3.950 20 0 GHADLP COc1ccccc1CN1CC[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246360814 1037320262 /nfs/dbraw/zinc/32/02/62/1037320262.db2.gz IILIUSYQZSXOGU-FUDKSRODSA-N 2 2 397.538 3.800 20 0 GHADLP COc1ccccc1C[N@@H+]1CC[C@H](N[C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246360814 1037320276 /nfs/dbraw/zinc/32/02/76/1037320276.db2.gz IILIUSYQZSXOGU-FUDKSRODSA-N 2 2 397.538 3.800 20 0 GHADLP COc1ccccc1C[N@H+]1CC[C@H](N[C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246360814 1037320297 /nfs/dbraw/zinc/32/02/97/1037320297.db2.gz IILIUSYQZSXOGU-FUDKSRODSA-N 2 2 397.538 3.800 20 0 GHADLP CC1([NH2+][C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001246468536 1037420459 /nfs/dbraw/zinc/42/04/59/1037420459.db2.gz YPUPNCATLFFXQB-DNQXCXABSA-N 3 2 377.576 3.994 20 0 GHADLP FC(F)(F)c1cccnc1N1CC[NH+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC001246528126 1037459880 /nfs/dbraw/zinc/45/98/80/1037459880.db2.gz FWMQDMZBHKSRIF-MJGOQNOKSA-N 2 2 390.453 3.716 20 0 GHADLP FC(F)(F)c1cccnc1N1CC[NH+]([C@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246527266 1037460294 /nfs/dbraw/zinc/46/02/94/1037460294.db2.gz FCKCDDKWYINWHH-INIZCTEOSA-N 2 2 382.474 3.677 20 0 GHADLP Brc1ccc(C2CCC([N@@H+]3CCC[C@]4(C[NH2+]CCO4)C3)CC2)cc1 ZINC001246645023 1037523813 /nfs/dbraw/zinc/52/38/13/1037523813.db2.gz ADYLMBDUOIPUIG-UUKMXZOPSA-N 2 2 393.369 3.930 20 0 GHADLP Brc1ccc(C2CCC([N@H+]3CCC[C@]4(C[NH2+]CCO4)C3)CC2)cc1 ZINC001246645023 1037523828 /nfs/dbraw/zinc/52/38/28/1037523828.db2.gz ADYLMBDUOIPUIG-UUKMXZOPSA-N 2 2 393.369 3.930 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)cc1 ZINC001246682448 1037546598 /nfs/dbraw/zinc/54/65/98/1037546598.db2.gz NFWTXGNAGBGCAF-CLJLJLNGSA-N 3 2 389.587 3.773 20 0 GHADLP c1ccc(CC[NH+]2CCC([N@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)cc1 ZINC001246682448 1037546600 /nfs/dbraw/zinc/54/66/00/1037546600.db2.gz NFWTXGNAGBGCAF-CLJLJLNGSA-N 3 2 389.587 3.773 20 0 GHADLP CCCC[C@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)CC[NH2+]1 ZINC001246702401 1037556507 /nfs/dbraw/zinc/55/65/07/1037556507.db2.gz OKFCVXDTQCOLPE-PMACEKPBSA-N 3 2 391.625 3.726 20 0 GHADLP CCCC[C@H]1C[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)CC[NH2+]1 ZINC001246702401 1037556517 /nfs/dbraw/zinc/55/65/17/1037556517.db2.gz OKFCVXDTQCOLPE-PMACEKPBSA-N 3 2 391.625 3.726 20 0 GHADLP O=C1N(Cc2ccccc2)c2ccccc2C12CC[NH+]([C@H]1CCCC[NH2+]C1)CC2 ZINC001246709864 1037561681 /nfs/dbraw/zinc/56/16/81/1037561681.db2.gz LGZPBAGPQBQLST-NRFANRHFSA-N 2 2 389.543 3.709 20 0 GHADLP c1ccc(-c2ccc3nc(C4CC[NH+]([C@@H]5CCCC[NH2+]C5)CC4)nn3c2)cc1 ZINC001246734521 1037580591 /nfs/dbraw/zinc/58/05/91/1037580591.db2.gz SVKOMPLPGUGWMJ-OAQYLSRUSA-N 2 2 375.520 3.718 20 0 GHADLP c1cc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2CC[NH2+][C@H](Cc4ccccc4)C2)CC3)co1 ZINC001246749274 1037588150 /nfs/dbraw/zinc/58/81/50/1037588150.db2.gz BVNZKBFPRVHJDF-DNQXCXABSA-N 3 2 393.575 3.931 20 0 GHADLP c1cc(C[N@@H+]2CCC3(C2)CC[NH+]([C@@H]2CC[NH2+][C@H](Cc4ccccc4)C2)CC3)co1 ZINC001246749274 1037588167 /nfs/dbraw/zinc/58/81/67/1037588167.db2.gz BVNZKBFPRVHJDF-DNQXCXABSA-N 3 2 393.575 3.931 20 0 GHADLP CCCC[C@H]1C[C@@H]([NH+]2CCN(c3cc(C)nn3-c3ccccc3)CC2)CC[NH2+]1 ZINC001246881206 1037696779 /nfs/dbraw/zinc/69/67/79/1037696779.db2.gz YTIZXGOZYQNFST-UNMCSNQZSA-N 2 2 381.568 3.614 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCC[C@H](Oc3nccnc3C)C2)CC[NH2+]1 ZINC001246957132 1037768040 /nfs/dbraw/zinc/76/80/40/1037768040.db2.gz AGDILZSSYOJFHM-DYXWJJEUSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCC[C@H](Oc3nccnc3C)C2)CC[NH2+]1 ZINC001246957132 1037768057 /nfs/dbraw/zinc/76/80/57/1037768057.db2.gz AGDILZSSYOJFHM-DYXWJJEUSA-N 2 2 384.499 3.569 20 0 GHADLP CCn1c2ccccc2nc1N1CC[NH+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC001246968981 1037792218 /nfs/dbraw/zinc/79/22/18/1037792218.db2.gz RZWMGDAQAVJGFP-IRLDBZIGSA-N 2 2 389.547 3.672 20 0 GHADLP COc1ccc(OC2CC[NH+]([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)nc1 ZINC001246971259 1037794356 /nfs/dbraw/zinc/79/43/56/1037794356.db2.gz BQBHUSJWJCQBCF-PGRDOPGGSA-N 2 2 399.510 3.874 20 0 GHADLP COC(=O)[C@]12CC[NH2+][C@H]1C[N@@H+]([C@@H](C)CC(c1ccccc1)c1ccccc1)CC2 ZINC001246985267 1037808639 /nfs/dbraw/zinc/80/86/39/1037808639.db2.gz HNGFVJSTTPOINW-QXWFJRNPSA-N 2 2 392.543 3.824 20 0 GHADLP COC(=O)[C@]12CC[NH2+][C@H]1C[N@H+]([C@@H](C)CC(c1ccccc1)c1ccccc1)CC2 ZINC001246985267 1037808652 /nfs/dbraw/zinc/80/86/52/1037808652.db2.gz HNGFVJSTTPOINW-QXWFJRNPSA-N 2 2 392.543 3.824 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2CCN([C@H](C)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001247018172 1037839374 /nfs/dbraw/zinc/83/93/74/1037839374.db2.gz WFQZNYWUXOJHEJ-LZQZEXGQSA-N 2 2 380.374 3.658 20 0 GHADLP Cc1c(Cl)cccc1N1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC001462230073 1070103553 /nfs/dbraw/zinc/10/35/53/1070103553.db2.gz BCFOLPSDLTZGAI-UHFFFAOYSA-N 2 2 381.911 3.941 20 0 GHADLP Cc1c(Cl)cccc1N1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC001462230073 1070103556 /nfs/dbraw/zinc/10/35/56/1070103556.db2.gz BCFOLPSDLTZGAI-UHFFFAOYSA-N 2 2 381.911 3.941 20 0 GHADLP COCc1cccc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)n1 ZINC001232256677 1037979684 /nfs/dbraw/zinc/97/96/84/1037979684.db2.gz ZKQISSURXDSHQW-UHFFFAOYSA-N 2 2 382.895 3.752 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4c(C)cccc4F)CC[C@@H]3C2)cs1 ZINC001232488688 1038265493 /nfs/dbraw/zinc/26/54/93/1038265493.db2.gz STARGDABAKRXJB-DYESRHJHSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4c(C)cccc4F)CC[C@@H]3C2)cs1 ZINC001232488688 1038265509 /nfs/dbraw/zinc/26/55/09/1038265509.db2.gz STARGDABAKRXJB-DYESRHJHSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4c(C)cccc4F)CC[C@@H]3C2)cs1 ZINC001232488688 1038265521 /nfs/dbraw/zinc/26/55/21/1038265521.db2.gz STARGDABAKRXJB-DYESRHJHSA-N 2 2 389.540 3.622 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4c(C)cccc4F)CC[C@@H]3C2)cs1 ZINC001232488688 1038265534 /nfs/dbraw/zinc/26/55/34/1038265534.db2.gz STARGDABAKRXJB-DYESRHJHSA-N 2 2 389.540 3.622 20 0 GHADLP O=C(c1ccccc1)c1ccc(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)cc1 ZINC001247857791 1038428534 /nfs/dbraw/zinc/42/85/34/1038428534.db2.gz DWXZVCCADQVCSI-IBGZPJMESA-N 2 2 388.471 3.514 20 0 GHADLP Clc1ccc(Br)c(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c1 ZINC001247858660 1038429309 /nfs/dbraw/zinc/42/93/09/1038429309.db2.gz HKDUMPBILSNHLJ-CYBMUJFWSA-N 2 2 397.704 3.699 20 0 GHADLP FC(F)(F)c1cc(Cl)cc(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c1 ZINC001247861993 1038432489 /nfs/dbraw/zinc/43/24/89/1038432489.db2.gz UEICNHVKQNLODM-ZDUSSCGKSA-N 2 2 386.805 3.956 20 0 GHADLP COCC[N@H+](Cc1cccc(NC(=O)OC(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC001232721596 1038517392 /nfs/dbraw/zinc/51/73/92/1038517392.db2.gz JSPMPRDCQFUFOI-UHFFFAOYSA-N 2 2 377.529 3.576 20 0 GHADLP COCC[N@@H+](Cc1cccc(NC(=O)OC(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC001232721596 1038517394 /nfs/dbraw/zinc/51/73/94/1038517394.db2.gz JSPMPRDCQFUFOI-UHFFFAOYSA-N 2 2 377.529 3.576 20 0 GHADLP COc1cc(O)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001232802566 1038564935 /nfs/dbraw/zinc/56/49/35/1038564935.db2.gz CGLVRFFAYYHTII-CDNPAEQRSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001232802566 1038564938 /nfs/dbraw/zinc/56/49/38/1038564938.db2.gz CGLVRFFAYYHTII-CDNPAEQRSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001232802566 1038564941 /nfs/dbraw/zinc/56/49/41/1038564941.db2.gz CGLVRFFAYYHTII-CDNPAEQRSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001232802566 1038564943 /nfs/dbraw/zinc/56/49/43/1038564943.db2.gz CGLVRFFAYYHTII-CDNPAEQRSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc(OCc2ccccc2)c1OC ZINC001233253572 1039017795 /nfs/dbraw/zinc/01/77/95/1039017795.db2.gz HQKOQZBIWWTOLN-DEOSSOPVSA-N 2 2 396.531 3.810 20 0 GHADLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc(OCc2ccccc2)c1OC ZINC001233253572 1039017812 /nfs/dbraw/zinc/01/78/12/1039017812.db2.gz HQKOQZBIWWTOLN-DEOSSOPVSA-N 2 2 396.531 3.810 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc(OCc2ccccc2)c1OC ZINC001233253572 1039017841 /nfs/dbraw/zinc/01/78/41/1039017841.db2.gz HQKOQZBIWWTOLN-DEOSSOPVSA-N 2 2 396.531 3.810 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc(OCc2ccccc2)c1OC ZINC001233253572 1039017861 /nfs/dbraw/zinc/01/78/61/1039017861.db2.gz HQKOQZBIWWTOLN-DEOSSOPVSA-N 2 2 396.531 3.810 20 0 GHADLP CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001252762006 1039151524 /nfs/dbraw/zinc/15/15/24/1039151524.db2.gz YNTMMWYPNSSUOS-NRFANRHFSA-N 2 2 379.504 3.699 20 0 GHADLP CSc1cccc(Cl)c1C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001233351580 1039166841 /nfs/dbraw/zinc/16/68/41/1039166841.db2.gz YDLRGCQFQIZOEN-SJORKVTESA-N 2 2 390.984 3.749 20 0 GHADLP CSc1cccc(Cl)c1C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001233351580 1039166861 /nfs/dbraw/zinc/16/68/61/1039166861.db2.gz YDLRGCQFQIZOEN-SJORKVTESA-N 2 2 390.984 3.749 20 0 GHADLP CSc1cccc(Cl)c1C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001233351580 1039166870 /nfs/dbraw/zinc/16/68/70/1039166870.db2.gz YDLRGCQFQIZOEN-SJORKVTESA-N 2 2 390.984 3.749 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(OCC(F)(F)F)c1 ZINC001253272950 1039516893 /nfs/dbraw/zinc/51/68/93/1039516893.db2.gz MQYIMLVAFFTFCC-UHFFFAOYSA-N 2 2 376.338 3.769 20 0 GHADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC(Oc2ccc(Cl)c(Cl)c2)CC1 ZINC001253394496 1039597181 /nfs/dbraw/zinc/59/71/81/1039597181.db2.gz NONIWLXAIWLJTJ-CYBMUJFWSA-N 2 2 375.340 3.586 20 0 GHADLP COc1cc(C[N@@H+](C)Cc2cc(OC)c(OC)c(OC)c2)ccc1-n1cc[nH+]c1 ZINC001234066800 1039800994 /nfs/dbraw/zinc/80/09/94/1039800994.db2.gz PCCYCAMEVZZXCK-UHFFFAOYSA-N 2 2 397.475 3.539 20 0 GHADLP COc1cc(C[N@H+](C)Cc2cc(OC)c(OC)c(OC)c2)ccc1-n1cc[nH+]c1 ZINC001234066800 1039801005 /nfs/dbraw/zinc/80/10/05/1039801005.db2.gz PCCYCAMEVZZXCK-UHFFFAOYSA-N 2 2 397.475 3.539 20 0 GHADLP COc1cc(C[NH+]2CCC(Oc3cccc(Cl)n3)CC2)ccc1-n1cc[nH+]c1 ZINC001234076211 1039814719 /nfs/dbraw/zinc/81/47/19/1039814719.db2.gz SJZPCOHDWPYWKO-UHFFFAOYSA-N 2 2 398.894 3.973 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254194922 1040044470 /nfs/dbraw/zinc/04/44/70/1040044470.db2.gz ZAZUEALOFIOSFO-FHWLQOOXSA-N 2 2 388.556 3.948 20 0 GHADLP Fc1cccc(COc2ccc(C[N@@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cc2)c1 ZINC001235008809 1040499186 /nfs/dbraw/zinc/49/91/86/1040499186.db2.gz RALVVGJORLTTJP-HSZRJFAPSA-N 2 2 384.495 3.607 20 0 GHADLP Fc1cccc(COc2ccc(C[N@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cc2)c1 ZINC001235008809 1040499195 /nfs/dbraw/zinc/49/91/95/1040499195.db2.gz RALVVGJORLTTJP-HSZRJFAPSA-N 2 2 384.495 3.607 20 0 GHADLP C[C@]1(CO)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC1 ZINC001235027909 1040521238 /nfs/dbraw/zinc/52/12/38/1040521238.db2.gz OLSSCTPPQLKGGB-SFHVURJKSA-N 2 2 378.314 3.619 20 0 GHADLP C[C@]1(CO)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC1 ZINC001235027909 1040521255 /nfs/dbraw/zinc/52/12/55/1040521255.db2.gz OLSSCTPPQLKGGB-SFHVURJKSA-N 2 2 378.314 3.619 20 0 GHADLP COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235034326 1040526819 /nfs/dbraw/zinc/52/68/19/1040526819.db2.gz KVSZLVMVNPHEKP-XYPWUTKMSA-N 2 2 376.298 3.777 20 0 GHADLP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235034326 1040526830 /nfs/dbraw/zinc/52/68/30/1040526830.db2.gz KVSZLVMVNPHEKP-XYPWUTKMSA-N 2 2 376.298 3.777 20 0 GHADLP Cc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1I ZINC001235039544 1040532763 /nfs/dbraw/zinc/53/27/63/1040532763.db2.gz VGUMJPTYLUVNPI-QGZVFWFLSA-N 2 2 384.305 3.708 20 0 GHADLP Cc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1I ZINC001235039544 1040532776 /nfs/dbraw/zinc/53/27/76/1040532776.db2.gz VGUMJPTYLUVNPI-QGZVFWFLSA-N 2 2 384.305 3.708 20 0 GHADLP Brc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)ccc1-n1cccn1 ZINC001235040996 1040536359 /nfs/dbraw/zinc/53/63/59/1040536359.db2.gz WAKVPYGWGHUHLF-IBGZPJMESA-N 2 2 389.341 3.743 20 0 GHADLP Brc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)ccc1-n1cccn1 ZINC001235040996 1040536372 /nfs/dbraw/zinc/53/63/72/1040536372.db2.gz WAKVPYGWGHUHLF-IBGZPJMESA-N 2 2 389.341 3.743 20 0 GHADLP FC(F)(F)c1ccc(-c2ccc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)o2)c(Cl)c1 ZINC001235059005 1040550033 /nfs/dbraw/zinc/55/00/33/1040550033.db2.gz CAQRTZVUAMFCHA-GOSISDBHSA-N 2 2 399.844 3.756 20 0 GHADLP FC(F)(F)c1ccc(-c2ccc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)o2)c(Cl)c1 ZINC001235059005 1040550040 /nfs/dbraw/zinc/55/00/40/1040550040.db2.gz CAQRTZVUAMFCHA-GOSISDBHSA-N 2 2 399.844 3.756 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)cc1OC1CCCC1 ZINC001235092969 1040583888 /nfs/dbraw/zinc/58/38/88/1040583888.db2.gz YCKBBVGGBVGLLN-FQEVSTJZSA-N 2 2 380.479 3.837 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)cc1OC1CCCC1 ZINC001235092969 1040583896 /nfs/dbraw/zinc/58/38/96/1040583896.db2.gz YCKBBVGGBVGLLN-FQEVSTJZSA-N 2 2 380.479 3.837 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C1)CCC([NH2+][C@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254839441 1040585354 /nfs/dbraw/zinc/58/53/54/1040585354.db2.gz QOHBEHKUZZDVFF-LVIWNVNYSA-N 2 2 377.573 3.630 20 0 GHADLP c1cncc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(Oc5cccnc5)cc4)C[C@H]3C2)c1 ZINC001235111830 1040596086 /nfs/dbraw/zinc/59/60/86/1040596086.db2.gz ZSTJDRCQZCORIY-VXKWHMMOSA-N 2 2 386.499 3.833 20 0 GHADLP c1[nH]c2c(cccc2OCc2ccccc2)c1C[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235113774 1040603006 /nfs/dbraw/zinc/60/30/06/1040603006.db2.gz FTZBEZCNEVJIAI-DEOSSOPVSA-N 2 2 391.515 3.701 20 0 GHADLP c1[nH]c2c(cccc2OCc2ccccc2)c1C[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235113774 1040603020 /nfs/dbraw/zinc/60/30/20/1040603020.db2.gz FTZBEZCNEVJIAI-DEOSSOPVSA-N 2 2 391.515 3.701 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]21 ZINC001254879807 1040627352 /nfs/dbraw/zinc/62/73/52/1040627352.db2.gz SNBKANRONLKHMJ-DMONPFRGSA-N 2 2 377.573 3.582 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]21 ZINC001254879807 1040627361 /nfs/dbraw/zinc/62/73/61/1040627361.db2.gz SNBKANRONLKHMJ-DMONPFRGSA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]21 ZINC001254879807 1040627365 /nfs/dbraw/zinc/62/73/65/1040627365.db2.gz SNBKANRONLKHMJ-DMONPFRGSA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]21 ZINC001254879807 1040627366 /nfs/dbraw/zinc/62/73/66/1040627366.db2.gz SNBKANRONLKHMJ-DMONPFRGSA-N 2 2 377.573 3.582 20 0 GHADLP Brc1ccn2c(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cnc2c1 ZINC001235290838 1040762196 /nfs/dbraw/zinc/76/21/96/1040762196.db2.gz XPPCSWGINQGMFZ-QGZVFWFLSA-N 2 2 391.357 3.937 20 0 GHADLP Brc1ccn2c(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cnc2c1 ZINC001235290838 1040762204 /nfs/dbraw/zinc/76/22/04/1040762204.db2.gz XPPCSWGINQGMFZ-QGZVFWFLSA-N 2 2 391.357 3.937 20 0 GHADLP COc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC001255104916 1040785270 /nfs/dbraw/zinc/78/52/70/1040785270.db2.gz LQXRECRTZGYGKR-XMMPIXPASA-N 2 2 393.575 3.566 20 0 GHADLP CCOC(=O)c1ccnc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001255123946 1040814982 /nfs/dbraw/zinc/81/49/82/1040814982.db2.gz GLUBEANLNQFCHJ-QQFNCUIESA-N 2 2 379.504 3.544 20 0 GHADLP CCOC(=O)c1ccnc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255123946 1040814992 /nfs/dbraw/zinc/81/49/92/1040814992.db2.gz GLUBEANLNQFCHJ-QQFNCUIESA-N 2 2 379.504 3.544 20 0 GHADLP Fc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2c(c1)COCO2 ZINC001255129458 1040823133 /nfs/dbraw/zinc/82/31/33/1040823133.db2.gz YVCJBKLGBAQMLU-DKUWSORSSA-N 2 2 382.479 3.977 20 0 GHADLP Fc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2c(c1)COCO2 ZINC001255129458 1040823142 /nfs/dbraw/zinc/82/31/42/1040823142.db2.gz YVCJBKLGBAQMLU-DKUWSORSSA-N 2 2 382.479 3.977 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2cc(OCC4CCC4)ncn2)C3)cc1 ZINC001255130816 1040825777 /nfs/dbraw/zinc/82/57/77/1040825777.db2.gz AYVVCCSDQWGPAR-MUSUJDOFSA-N 2 2 392.547 3.941 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2cc(OCC4CCC4)ncn2)C3)cc1 ZINC001255130816 1040825802 /nfs/dbraw/zinc/82/58/02/1040825802.db2.gz AYVVCCSDQWGPAR-MUSUJDOFSA-N 2 2 392.547 3.941 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(Cl)c1OC ZINC001235351514 1040830368 /nfs/dbraw/zinc/83/03/68/1040830368.db2.gz QPDBLHMQQWTUGC-XMSQKQJNSA-N 2 2 386.923 3.936 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(Cl)c1OC ZINC001235351514 1040830406 /nfs/dbraw/zinc/83/04/06/1040830406.db2.gz QPDBLHMQQWTUGC-XMSQKQJNSA-N 2 2 386.923 3.936 20 0 GHADLP Nc1cc(Br)ccc1C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235351551 1040830473 /nfs/dbraw/zinc/83/04/73/1040830473.db2.gz RDUNLQHPDFVZCU-UYAOXDASSA-N 2 2 386.337 3.610 20 0 GHADLP Nc1cc(Br)ccc1C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235351551 1040830482 /nfs/dbraw/zinc/83/04/82/1040830482.db2.gz RDUNLQHPDFVZCU-UYAOXDASSA-N 2 2 386.337 3.610 20 0 GHADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]42)C3)cc1 ZINC001255138439 1040841692 /nfs/dbraw/zinc/84/16/92/1040841692.db2.gz AFNQXFBAIXAEOZ-YCBFDDBMSA-N 2 2 396.575 3.840 20 0 GHADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]42)C3)cc1 ZINC001255138439 1040841705 /nfs/dbraw/zinc/84/17/05/1040841705.db2.gz AFNQXFBAIXAEOZ-YCBFDDBMSA-N 2 2 396.575 3.840 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]42)C3)cc1 ZINC001255138439 1040841718 /nfs/dbraw/zinc/84/17/18/1040841718.db2.gz AFNQXFBAIXAEOZ-YCBFDDBMSA-N 2 2 396.575 3.840 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]42)C3)cc1 ZINC001255138439 1040841732 /nfs/dbraw/zinc/84/17/32/1040841732.db2.gz AFNQXFBAIXAEOZ-YCBFDDBMSA-N 2 2 396.575 3.840 20 0 GHADLP Cc1ccnc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)c1 ZINC001255144075 1040853510 /nfs/dbraw/zinc/85/35/10/1040853510.db2.gz LLIKMDOIKOXICG-JKHIJQBDSA-N 2 2 376.548 3.708 20 0 GHADLP Cc1ccnc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)c1 ZINC001255144075 1040853518 /nfs/dbraw/zinc/85/35/18/1040853518.db2.gz LLIKMDOIKOXICG-JKHIJQBDSA-N 2 2 376.548 3.708 20 0 GHADLP c1ccc([C@@]23CC[NH2+]C[C@H]2C[N@H+](Cc2ccc(N4CCCCC4)nc2)CC3)cc1 ZINC001235369920 1040874857 /nfs/dbraw/zinc/87/48/57/1040874857.db2.gz NTRJINNUEGDLBX-ZCYQVOJMSA-N 2 2 390.575 3.825 20 0 GHADLP c1ccc([C@@]23CC[NH2+]C[C@H]2C[N@@H+](Cc2ccc(N4CCCCC4)nc2)CC3)cc1 ZINC001235369920 1040874874 /nfs/dbraw/zinc/87/48/74/1040874874.db2.gz NTRJINNUEGDLBX-ZCYQVOJMSA-N 2 2 390.575 3.825 20 0 GHADLP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccc3nc(Br)sc3c1)C2 ZINC001235401812 1040914520 /nfs/dbraw/zinc/91/45/20/1040914520.db2.gz UCKHMAQWZYTRMC-GOEBONIOSA-N 2 2 384.318 3.582 20 0 GHADLP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc3nc(Br)sc3c1)C2 ZINC001235401812 1040914521 /nfs/dbraw/zinc/91/45/21/1040914521.db2.gz UCKHMAQWZYTRMC-GOEBONIOSA-N 2 2 384.318 3.582 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001235557200 1040985767 /nfs/dbraw/zinc/98/57/67/1040985767.db2.gz GEIGSGXQGWZQBZ-MEBIHWHUSA-N 3 2 397.579 3.771 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001235557200 1040985768 /nfs/dbraw/zinc/98/57/68/1040985768.db2.gz GEIGSGXQGWZQBZ-MEBIHWHUSA-N 3 2 397.579 3.771 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001235557200 1040985775 /nfs/dbraw/zinc/98/57/75/1040985775.db2.gz GEIGSGXQGWZQBZ-MEBIHWHUSA-N 3 2 397.579 3.771 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001235557200 1040985786 /nfs/dbraw/zinc/98/57/86/1040985786.db2.gz GEIGSGXQGWZQBZ-MEBIHWHUSA-N 3 2 397.579 3.771 20 0 GHADLP COc1cc(Cl)cc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c1 ZINC001235647583 1041089455 /nfs/dbraw/zinc/08/94/55/1041089455.db2.gz WMFVAHINZWOVGW-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP COc1cc(Cl)cc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c1 ZINC001235647583 1041089471 /nfs/dbraw/zinc/08/94/71/1041089471.db2.gz WMFVAHINZWOVGW-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP COc1cc(Cl)ccc1C[N@@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235649271 1041090048 /nfs/dbraw/zinc/09/00/48/1041090048.db2.gz MXCQGTKATFLAPZ-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP COc1cc(Cl)ccc1C[N@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235649271 1041090068 /nfs/dbraw/zinc/09/00/68/1041090068.db2.gz MXCQGTKATFLAPZ-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP CCOc1ccc(OC)cc1C[N@@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235649374 1041091771 /nfs/dbraw/zinc/09/17/71/1041091771.db2.gz QIDGCUSHKXUHCP-UHFFFAOYSA-N 2 2 398.551 3.729 20 0 GHADLP CCOc1ccc(OC)cc1C[N@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235649374 1041091794 /nfs/dbraw/zinc/09/17/94/1041091794.db2.gz QIDGCUSHKXUHCP-UHFFFAOYSA-N 2 2 398.551 3.729 20 0 GHADLP C[NH2+]CC1CC[NH+](Cc2ccc(Br)cc2OC(F)(F)F)CC1 ZINC001235677479 1041139148 /nfs/dbraw/zinc/13/91/48/1041139148.db2.gz GASZWECHASCUQW-UHFFFAOYSA-N 2 2 381.236 3.779 20 0 GHADLP FC(F)(F)c1cc(Cl)c(CN2CC[NH+](C3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC001235702838 1041182772 /nfs/dbraw/zinc/18/27/72/1041182772.db2.gz OMVUIHVMKGJEBI-UHFFFAOYSA-N 2 2 396.284 3.882 20 0 GHADLP Brc1cccc([C@H]2CN(Cc3cccc(-n4cc[nH+]c4)c3)CC[NH2+]2)c1 ZINC001235800024 1041303678 /nfs/dbraw/zinc/30/36/78/1041303678.db2.gz NOBSUECFZSBAQY-HXUWFJFHSA-N 2 2 397.320 3.781 20 0 GHADLP COCCC[N@H+](Cc1ccc2cc(Br)cnc2c1)[C@H]1CCC[NH2+]C1 ZINC001235806993 1041316840 /nfs/dbraw/zinc/31/68/40/1041316840.db2.gz RHIOZDZEJMJBQK-SFHVURJKSA-N 2 2 392.341 3.588 20 0 GHADLP COCCC[N@@H+](Cc1ccc2cc(Br)cnc2c1)[C@H]1CCC[NH2+]C1 ZINC001235806993 1041316856 /nfs/dbraw/zinc/31/68/56/1041316856.db2.gz RHIOZDZEJMJBQK-SFHVURJKSA-N 2 2 392.341 3.588 20 0 GHADLP CCC[N@H+](CCOc1c(Cl)cc(Cl)cc1Cl)C[C@H]1C[NH2+]CCO1 ZINC001235819410 1041336962 /nfs/dbraw/zinc/33/69/62/1041336962.db2.gz DUPKSIYPPQJNNH-CYBMUJFWSA-N 2 2 381.731 3.726 20 0 GHADLP CCC[N@@H+](CCOc1c(Cl)cc(Cl)cc1Cl)C[C@H]1C[NH2+]CCO1 ZINC001235819410 1041336980 /nfs/dbraw/zinc/33/69/80/1041336980.db2.gz DUPKSIYPPQJNNH-CYBMUJFWSA-N 2 2 381.731 3.726 20 0 GHADLP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccc(F)cc3)CC2)c1 ZINC001255880084 1041372607 /nfs/dbraw/zinc/37/26/07/1041372607.db2.gz OYJXGVKIVVHWHR-QGZVFWFLSA-N 2 2 384.495 3.798 20 0 GHADLP O=C(c1cccs1)N1CCC2(CC1)CC[NH+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256076655 1041511385 /nfs/dbraw/zinc/51/13/85/1041511385.db2.gz KXVNSBZVOZPCAZ-UHFFFAOYSA-N 2 2 387.593 3.693 20 0 GHADLP [NH3+]C1(C(=O)NCc2ccccc2)CC[NH+]([C@@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001256112921 1041537442 /nfs/dbraw/zinc/53/74/42/1041537442.db2.gz LDCGGFATPJUACZ-XZOQPEGZSA-N 2 2 391.559 3.823 20 0 GHADLP c1ccc([C@H]2CCC[C@H]([NH+]3CCN(c4cc[nH+]c(N5CCCC5)n4)CC3)C2)cc1 ZINC001256120727 1041553983 /nfs/dbraw/zinc/55/39/83/1041553983.db2.gz JNBNERXLAWUGIO-VXKWHMMOSA-N 2 2 391.563 3.925 20 0 GHADLP FC(F)(F)c1cccc(C[NH+]2CCN(C[C@@H]3Cc4ccccc4C[NH2+]3)CC2)c1 ZINC001236143030 1041567573 /nfs/dbraw/zinc/56/75/73/1041567573.db2.gz FGLXCBWKABNCDS-NRFANRHFSA-N 2 2 389.465 3.538 20 0 GHADLP COC(=O)C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC001256196434 1041642232 /nfs/dbraw/zinc/64/22/32/1041642232.db2.gz JZGRPDWJJSLGKO-QFIPXVFZSA-N 2 2 382.504 3.554 20 0 GHADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236303954 1041666759 /nfs/dbraw/zinc/66/67/59/1041666759.db2.gz FQIHYUZVHVKFJL-XMMPIXPASA-N 3 2 377.576 3.935 20 0 GHADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236303954 1041666763 /nfs/dbraw/zinc/66/67/63/1041666763.db2.gz FQIHYUZVHVKFJL-XMMPIXPASA-N 3 2 377.576 3.935 20 0 GHADLP COC(=O)/C=C/c1cc(F)c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(F)c1 ZINC001236376176 1041687666 /nfs/dbraw/zinc/68/76/66/1041687666.db2.gz QBXRLELFKUOEOC-KBOKABMXSA-N 2 2 392.490 3.895 20 0 GHADLP COC(=O)/C=C/c1cc(F)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(F)c1 ZINC001236376176 1041687668 /nfs/dbraw/zinc/68/76/68/1041687668.db2.gz QBXRLELFKUOEOC-KBOKABMXSA-N 2 2 392.490 3.895 20 0 GHADLP CC(C)Oc1c(Cl)cc(CN2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)cc1Cl ZINC001236622555 1041788452 /nfs/dbraw/zinc/78/84/52/1041788452.db2.gz PQRKJNVXDFQPGZ-HNNXBMFYSA-N 2 2 386.367 3.778 20 0 GHADLP CC(C)Oc1c(Cl)cc(CN2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)cc1Cl ZINC001236622555 1041788458 /nfs/dbraw/zinc/78/84/58/1041788458.db2.gz PQRKJNVXDFQPGZ-HNNXBMFYSA-N 2 2 386.367 3.778 20 0 GHADLP CC(C)c1ccc(CN2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c(Br)c1 ZINC001236624097 1041789929 /nfs/dbraw/zinc/78/99/29/1041789929.db2.gz YUBPNEKGTFINFS-KRWDZBQOSA-N 2 2 380.374 3.570 20 0 GHADLP CC(C)c1ccc(CN2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c(Br)c1 ZINC001236624097 1041789933 /nfs/dbraw/zinc/78/99/33/1041789933.db2.gz YUBPNEKGTFINFS-KRWDZBQOSA-N 2 2 380.374 3.570 20 0 GHADLP COc1cc(Br)cc(OC)c1C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236638212 1041797446 /nfs/dbraw/zinc/79/74/46/1041797446.db2.gz WQSQTNRLCYSSAF-UHFFFAOYSA-N 2 2 383.330 3.573 20 0 GHADLP COc1cc(Br)cc(OC)c1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236638212 1041797451 /nfs/dbraw/zinc/79/74/51/1041797451.db2.gz WQSQTNRLCYSSAF-UHFFFAOYSA-N 2 2 383.330 3.573 20 0 GHADLP O=C1N(CC2CC2)CCC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)CC2 ZINC001236920048 1041959284 /nfs/dbraw/zinc/95/92/84/1041959284.db2.gz RGHJWAJRRZVADA-UHFFFAOYSA-N 2 2 398.938 3.750 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1CN1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001237040861 1042000397 /nfs/dbraw/zinc/00/03/97/1042000397.db2.gz CGCPEBKYXAPHIA-GOSISDBHSA-N 2 2 398.567 3.614 20 0 GHADLP Fc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1I ZINC001237156508 1042068321 /nfs/dbraw/zinc/06/83/21/1042068321.db2.gz WUSIXJXVSKHRQR-CQSZACIVSA-N 2 2 388.268 3.537 20 0 GHADLP Fc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1I ZINC001237156508 1042068331 /nfs/dbraw/zinc/06/83/31/1042068331.db2.gz WUSIXJXVSKHRQR-CQSZACIVSA-N 2 2 388.268 3.537 20 0 GHADLP OCCOc1ccccc1C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001237197114 1042089451 /nfs/dbraw/zinc/08/94/51/1042089451.db2.gz IXBDQVBYWNVOHE-UHFFFAOYSA-N 2 2 397.906 3.582 20 0 GHADLP Brc1ccc(C2=CC[N@H+](Cc3nc4c(s3)C[NH2+]CC4)CC2)cc1 ZINC001237203121 1042090087 /nfs/dbraw/zinc/09/00/87/1042090087.db2.gz AQNSXMAHWOXOHC-UHFFFAOYSA-N 2 2 390.350 3.841 20 0 GHADLP Brc1ccc(C2=CC[N@@H+](Cc3nc4c(s3)C[NH2+]CC4)CC2)cc1 ZINC001237203121 1042090089 /nfs/dbraw/zinc/09/00/89/1042090089.db2.gz AQNSXMAHWOXOHC-UHFFFAOYSA-N 2 2 390.350 3.841 20 0 GHADLP Brc1cc2[nH]cc(C[NH+]3CCC4(CC3)[NH2+]Cc3ccccc34)c2cn1 ZINC001237364633 1042172726 /nfs/dbraw/zinc/17/27/26/1042172726.db2.gz XOKKUICKNVYGOW-UHFFFAOYSA-N 2 2 397.320 3.920 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc(OC)c1OCc1ccccc1 ZINC001237415511 1042198625 /nfs/dbraw/zinc/19/86/25/1042198625.db2.gz PTDFGPINJMEAEK-RTWAWAEBSA-N 2 2 396.531 3.857 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc(OC)c1OCc1ccccc1 ZINC001237415511 1042198627 /nfs/dbraw/zinc/19/86/27/1042198627.db2.gz PTDFGPINJMEAEK-RTWAWAEBSA-N 2 2 396.531 3.857 20 0 GHADLP CCCOc1cc(F)ccc1C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001237904479 1042417640 /nfs/dbraw/zinc/41/76/40/1042417640.db2.gz BLKBKGMLPCBSPP-NFBKMPQASA-N 2 2 390.543 3.795 20 0 GHADLP CCCOc1cc(F)ccc1C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001237904479 1042417642 /nfs/dbraw/zinc/41/76/42/1042417642.db2.gz BLKBKGMLPCBSPP-NFBKMPQASA-N 2 2 390.543 3.795 20 0 GHADLP CCCOc1cc(F)ccc1C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001237904479 1042417651 /nfs/dbraw/zinc/41/76/51/1042417651.db2.gz BLKBKGMLPCBSPP-NFBKMPQASA-N 2 2 390.543 3.795 20 0 GHADLP CCCOc1cc(F)ccc1C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001237904479 1042417655 /nfs/dbraw/zinc/41/76/55/1042417655.db2.gz BLKBKGMLPCBSPP-NFBKMPQASA-N 2 2 390.543 3.795 20 0 GHADLP COc1cc(Br)c2cc(C[N@H+](C(C)C)C3CC[NH+](C)CC3)[nH]c2n1 ZINC001237942849 1042432357 /nfs/dbraw/zinc/43/23/57/1042432357.db2.gz DUUVIDLNRCQYQJ-UHFFFAOYSA-N 2 2 395.345 3.639 20 0 GHADLP COc1cc(Br)c2cc(C[N@@H+](C(C)C)C3CC[NH+](C)CC3)[nH]c2n1 ZINC001237942849 1042432359 /nfs/dbraw/zinc/43/23/59/1042432359.db2.gz DUUVIDLNRCQYQJ-UHFFFAOYSA-N 2 2 395.345 3.639 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccccc3Oc3cnccn3)C2)C1 ZINC001238012624 1042459124 /nfs/dbraw/zinc/45/91/24/1042459124.db2.gz UZWLKVVRQUYGIM-QHCPKHFHSA-N 2 2 396.535 3.592 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccccc3Oc3cnccn3)C2)C1 ZINC001238012624 1042459125 /nfs/dbraw/zinc/45/91/25/1042459125.db2.gz UZWLKVVRQUYGIM-QHCPKHFHSA-N 2 2 396.535 3.592 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccccc3Oc3cnccn3)C2)C1 ZINC001238012624 1042459126 /nfs/dbraw/zinc/45/91/26/1042459126.db2.gz UZWLKVVRQUYGIM-QHCPKHFHSA-N 2 2 396.535 3.592 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccccc3Oc3cnccn3)C2)C1 ZINC001238012624 1042459128 /nfs/dbraw/zinc/45/91/28/1042459128.db2.gz UZWLKVVRQUYGIM-QHCPKHFHSA-N 2 2 396.535 3.592 20 0 GHADLP OC1(c2cccc(C(F)(F)F)c2)CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238102433 1042492971 /nfs/dbraw/zinc/49/29/71/1042492971.db2.gz CKOYJGYCCYNQKU-UHFFFAOYSA-N 2 2 375.394 3.837 20 0 GHADLP COCC[N@H+](Cc1ccc(N(C)C(=O)OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001238129178 1042498123 /nfs/dbraw/zinc/49/81/23/1042498123.db2.gz FHERPBZWWGIPGT-UHFFFAOYSA-N 2 2 391.556 3.601 20 0 GHADLP COCC[N@@H+](Cc1ccc(N(C)C(=O)OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001238129178 1042498126 /nfs/dbraw/zinc/49/81/26/1042498126.db2.gz FHERPBZWWGIPGT-UHFFFAOYSA-N 2 2 391.556 3.601 20 0 GHADLP CCOc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(Cl)c1 ZINC001238398025 1042583724 /nfs/dbraw/zinc/58/37/24/1042583724.db2.gz XBVZSEPKWQESTN-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP CCOc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(Cl)c1 ZINC001238398025 1042583726 /nfs/dbraw/zinc/58/37/26/1042583726.db2.gz XBVZSEPKWQESTN-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(OC(C)C)c1F)C2 ZINC001238422707 1042591864 /nfs/dbraw/zinc/59/18/64/1042591864.db2.gz MFFITSAEGNRYMA-REWPJTCUSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(OC(C)C)c1F)C2 ZINC001238422707 1042591868 /nfs/dbraw/zinc/59/18/68/1042591868.db2.gz MFFITSAEGNRYMA-REWPJTCUSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(OC(C)C)c1F)C2 ZINC001238422707 1042591872 /nfs/dbraw/zinc/59/18/72/1042591872.db2.gz MFFITSAEGNRYMA-REWPJTCUSA-N 2 2 390.543 3.793 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(OC(C)C)c1F)C2 ZINC001238422707 1042591875 /nfs/dbraw/zinc/59/18/75/1042591875.db2.gz MFFITSAEGNRYMA-REWPJTCUSA-N 2 2 390.543 3.793 20 0 GHADLP COc1cc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)c(-c2ccccc2)cn1 ZINC001238607872 1042657331 /nfs/dbraw/zinc/65/73/31/1042657331.db2.gz ONSUOCOSGCCABF-UHFFFAOYSA-N 2 2 395.547 3.832 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cc(F)cc(N4CCCC4)c3)C2)C1 ZINC001238704840 1042692796 /nfs/dbraw/zinc/69/27/96/1042692796.db2.gz VORKQQPWVYXFEE-QHCPKHFHSA-N 2 2 389.559 3.749 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cc(F)cc(N4CCCC4)c3)C2)C1 ZINC001238704840 1042692798 /nfs/dbraw/zinc/69/27/98/1042692798.db2.gz VORKQQPWVYXFEE-QHCPKHFHSA-N 2 2 389.559 3.749 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cc(F)cc(N4CCCC4)c3)C2)C1 ZINC001238704840 1042692799 /nfs/dbraw/zinc/69/27/99/1042692799.db2.gz VORKQQPWVYXFEE-QHCPKHFHSA-N 2 2 389.559 3.749 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cc(F)cc(N4CCCC4)c3)C2)C1 ZINC001238704840 1042692801 /nfs/dbraw/zinc/69/28/01/1042692801.db2.gz VORKQQPWVYXFEE-QHCPKHFHSA-N 2 2 389.559 3.749 20 0 GHADLP [NH3+][C@@H]1CCCN(c2cc(-c3ccc4[nH+]ccn4c3)nc(Oc3ccccc3)n2)C1 ZINC001240217155 1042909865 /nfs/dbraw/zinc/90/98/65/1042909865.db2.gz DMUUUZDCJKKFIO-QGZVFWFLSA-N 2 2 386.459 3.511 20 0 GHADLP CC[NH+](CC)CCNC(=O)c1cc(-c2ccn3cc[nH+]c3c2)nc2ccccc21 ZINC001240496022 1042936964 /nfs/dbraw/zinc/93/69/64/1042936964.db2.gz CWTDOWVGBHWTRC-UHFFFAOYSA-N 2 2 387.487 3.621 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256523722 1043451457 /nfs/dbraw/zinc/45/14/57/1043451457.db2.gz RRRMSXLKXWJUKM-QPPBQGQZSA-N 3 2 392.591 3.581 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256523722 1043451470 /nfs/dbraw/zinc/45/14/70/1043451470.db2.gz RRRMSXLKXWJUKM-QPPBQGQZSA-N 3 2 392.591 3.581 20 0 GHADLP COc1ccnc(O[C@@H]2CC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001256558412 1043529560 /nfs/dbraw/zinc/52/95/60/1043529560.db2.gz RSMDTEOFPLPUQO-SYYKKAFVSA-N 2 2 381.520 3.596 20 0 GHADLP COc1ccnc(O[C@@H]2CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001256558412 1043529571 /nfs/dbraw/zinc/52/95/71/1043529571.db2.gz RSMDTEOFPLPUQO-SYYKKAFVSA-N 2 2 381.520 3.596 20 0 GHADLP COc1ccnc(O[C@@H]2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001256558412 1043529580 /nfs/dbraw/zinc/52/95/80/1043529580.db2.gz RSMDTEOFPLPUQO-SYYKKAFVSA-N 2 2 381.520 3.596 20 0 GHADLP COc1ccnc(O[C@@H]2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001256558412 1043529590 /nfs/dbraw/zinc/52/95/90/1043529590.db2.gz RSMDTEOFPLPUQO-SYYKKAFVSA-N 2 2 381.520 3.596 20 0 GHADLP COc1cc(N(C2CC[NH2+]CC2)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC001256558398 1043530349 /nfs/dbraw/zinc/53/03/49/1043530349.db2.gz RRQUAWYXHQXDHQ-CVDCTZTESA-N 3 2 394.563 3.702 20 0 GHADLP COc1cc(N(C2CC[NH2+]CC2)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC001256558398 1043530359 /nfs/dbraw/zinc/53/03/59/1043530359.db2.gz RRQUAWYXHQXDHQ-CVDCTZTESA-N 3 2 394.563 3.702 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCCN(C(=O)c3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256561652 1043536738 /nfs/dbraw/zinc/53/67/38/1043536738.db2.gz ZBWZMINECPDZRZ-XUZZJYLKSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@H]1C[C@H]([NH+]2CCCN(C(=O)c3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256561652 1043536747 /nfs/dbraw/zinc/53/67/47/1043536747.db2.gz ZBWZMINECPDZRZ-XUZZJYLKSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@H]1C[C@H]([N@@H+]2CCCN(C(=O)c3ccccc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256561652 1043536756 /nfs/dbraw/zinc/53/67/56/1043536756.db2.gz ZBWZMINECPDZRZ-XUZZJYLKSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@H]1C[C@H]([N@H+]2CCCN(C(=O)c3ccccc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256561652 1043536765 /nfs/dbraw/zinc/53/67/65/1043536765.db2.gz ZBWZMINECPDZRZ-XUZZJYLKSA-N 2 2 391.559 3.888 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256603588 1043565459 /nfs/dbraw/zinc/56/54/59/1043565459.db2.gz GWNLQFZFFWTQMU-IBGZPJMESA-N 2 2 387.568 3.840 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256603588 1043565470 /nfs/dbraw/zinc/56/54/70/1043565470.db2.gz GWNLQFZFFWTQMU-IBGZPJMESA-N 2 2 387.568 3.840 20 0 GHADLP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc(OCC4CCOCC4)nc3)CC2)cc1 ZINC001256601400 1043566312 /nfs/dbraw/zinc/56/63/12/1043566312.db2.gz WKQXWIXSPFHTME-UHFFFAOYSA-N 2 2 395.547 3.641 20 0 GHADLP CN(C(=O)OC(C)(C)C)C1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256610254 1043574613 /nfs/dbraw/zinc/57/46/13/1043574613.db2.gz ALKAJLRHTQXLAO-UHFFFAOYSA-N 2 2 387.568 3.982 20 0 GHADLP O=C(NC1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1)c1cccc(F)c1 ZINC001256613668 1043577164 /nfs/dbraw/zinc/57/71/64/1043577164.db2.gz ROUHDMCLIUTZSZ-UHFFFAOYSA-N 2 2 395.522 3.685 20 0 GHADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001292071401 1043582189 /nfs/dbraw/zinc/58/21/89/1043582189.db2.gz JZCLDBIVBMESRU-NQIIRXRSSA-N 2 2 389.559 3.807 20 0 GHADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001292071401 1043582193 /nfs/dbraw/zinc/58/21/93/1043582193.db2.gz JZCLDBIVBMESRU-NQIIRXRSSA-N 2 2 389.559 3.807 20 0 GHADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001292071401 1043582195 /nfs/dbraw/zinc/58/21/95/1043582195.db2.gz JZCLDBIVBMESRU-NQIIRXRSSA-N 2 2 389.559 3.807 20 0 GHADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)C1 ZINC001292071401 1043582203 /nfs/dbraw/zinc/58/22/03/1043582203.db2.gz JZCLDBIVBMESRU-NQIIRXRSSA-N 2 2 389.559 3.807 20 0 GHADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256852538 1043702520 /nfs/dbraw/zinc/70/25/20/1043702520.db2.gz BRIQOWXSLBDZAR-UHFFFAOYSA-N 3 2 382.527 3.752 20 0 GHADLP COC(=O)[C@H](Cc1ccc2ccccc2c1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256854710 1043703261 /nfs/dbraw/zinc/70/32/61/1043703261.db2.gz ZZVVNJWICWADNX-QHCPKHFHSA-N 2 2 389.499 3.578 20 0 GHADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ncccc3C(F)(F)F)CC2)C1 ZINC001256883964 1043720474 /nfs/dbraw/zinc/72/04/74/1043720474.db2.gz VLVNDIMNJUAGPR-INIZCTEOSA-N 2 2 384.490 3.779 20 0 GHADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ncccc3C(F)(F)F)CC2)C1 ZINC001256883964 1043720485 /nfs/dbraw/zinc/72/04/85/1043720485.db2.gz VLVNDIMNJUAGPR-INIZCTEOSA-N 2 2 384.490 3.779 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C2(CC2)C1 ZINC001256908955 1043734800 /nfs/dbraw/zinc/73/48/00/1043734800.db2.gz PFYSSYJVFBLRJT-HKUYNNGSSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C2(CC2)C1 ZINC001256908955 1043734811 /nfs/dbraw/zinc/73/48/11/1043734811.db2.gz PFYSSYJVFBLRJT-HKUYNNGSSA-N 2 2 377.573 3.773 20 0 GHADLP COCC[N@H+](C)[C@H](CN[C@@H]1CCC[NH+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC001256910761 1043736858 /nfs/dbraw/zinc/73/68/58/1043736858.db2.gz DVJGREZIUNMMKI-IFMALSPDSA-N 2 2 394.003 3.956 20 0 GHADLP COCC[N@@H+](C)[C@H](CN[C@@H]1CCC[NH+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC001256910761 1043736871 /nfs/dbraw/zinc/73/68/71/1043736871.db2.gz DVJGREZIUNMMKI-IFMALSPDSA-N 2 2 394.003 3.956 20 0 GHADLP COCC[NH+](C)[C@H](CN[C@@H]1CCC[N@@H+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC001256910761 1043736879 /nfs/dbraw/zinc/73/68/79/1043736879.db2.gz DVJGREZIUNMMKI-IFMALSPDSA-N 2 2 394.003 3.956 20 0 GHADLP COCC[NH+](C)[C@H](CN[C@@H]1CCC[N@H+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC001256910761 1043736889 /nfs/dbraw/zinc/73/68/89/1043736889.db2.gz DVJGREZIUNMMKI-IFMALSPDSA-N 2 2 394.003 3.956 20 0 GHADLP Cc1cccc(-c2cccc(C(=O)N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2)c1 ZINC001293255868 1044076355 /nfs/dbraw/zinc/07/63/55/1044076355.db2.gz ZSPLXPDBSGEVTH-XMMPIXPASA-N 2 2 391.559 3.903 20 0 GHADLP Cc1cccc(-c2cccc(C(=O)N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2)c1 ZINC001293255868 1044076366 /nfs/dbraw/zinc/07/63/66/1044076366.db2.gz ZSPLXPDBSGEVTH-XMMPIXPASA-N 2 2 391.559 3.903 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@@H]2COc3ccc(Cl)cc3C2)cs1 ZINC001257951471 1044269324 /nfs/dbraw/zinc/26/93/24/1044269324.db2.gz XXQLUKMRSIJIQA-HNNXBMFYSA-N 2 2 397.997 3.685 20 0 GHADLP CC(C)C[NH+]1CCC([NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001258012832 1044339040 /nfs/dbraw/zinc/33/90/40/1044339040.db2.gz YZKWJVBQTMXZLR-DEOSSOPVSA-N 3 2 399.623 3.862 20 0 GHADLP CC(C)C[NH+]1CCC([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001258012832 1044339055 /nfs/dbraw/zinc/33/90/55/1044339055.db2.gz YZKWJVBQTMXZLR-DEOSSOPVSA-N 3 2 399.623 3.862 20 0 GHADLP COc1cccnc1O[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258150055 1044441916 /nfs/dbraw/zinc/44/19/16/1044441916.db2.gz VPSKWPDYICBPKZ-QFIPXVFZSA-N 2 2 395.547 3.641 20 0 GHADLP COc1cccnc1O[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258150055 1044441922 /nfs/dbraw/zinc/44/19/22/1044441922.db2.gz VPSKWPDYICBPKZ-QFIPXVFZSA-N 2 2 395.547 3.641 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](C4C[C@@H](C)C[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001258169546 1044450612 /nfs/dbraw/zinc/45/06/12/1044450612.db2.gz ASJJWQCFRNNTMA-RBPRZQKGSA-N 2 2 377.598 3.799 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](C4C[C@@H](C)C[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001258169546 1044450621 /nfs/dbraw/zinc/45/06/21/1044450621.db2.gz ASJJWQCFRNNTMA-RBPRZQKGSA-N 2 2 377.598 3.799 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](C4C[C@@H](C)C[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001258169546 1044450634 /nfs/dbraw/zinc/45/06/34/1044450634.db2.gz ASJJWQCFRNNTMA-RBPRZQKGSA-N 2 2 377.598 3.799 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](C4C[C@@H](C)C[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001258169546 1044450646 /nfs/dbraw/zinc/45/06/46/1044450646.db2.gz ASJJWQCFRNNTMA-RBPRZQKGSA-N 2 2 377.598 3.799 20 0 GHADLP C[C@H](Cc1ccco1)[NH+]1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001258198411 1044468011 /nfs/dbraw/zinc/46/80/11/1044468011.db2.gz YSYUOJQWTZVLEJ-QGZVFWFLSA-N 2 2 391.556 3.664 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@H]4CCCC(C)(C)C4)CC[C@@H]3C2)cs1 ZINC001258292661 1044495705 /nfs/dbraw/zinc/49/57/05/1044495705.db2.gz YEMFENCNZAJYNW-YZGWKJHDSA-N 2 2 377.598 3.943 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+]([C@H]4CCCC(C)(C)C4)CC[C@@H]3C2)cs1 ZINC001258292661 1044495712 /nfs/dbraw/zinc/49/57/12/1044495712.db2.gz YEMFENCNZAJYNW-YZGWKJHDSA-N 2 2 377.598 3.943 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@H]4CCCC(C)(C)C4)CC[C@@H]3C2)cs1 ZINC001258292661 1044495716 /nfs/dbraw/zinc/49/57/16/1044495716.db2.gz YEMFENCNZAJYNW-YZGWKJHDSA-N 2 2 377.598 3.943 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+]([C@H]4CCCC(C)(C)C4)CC[C@@H]3C2)cs1 ZINC001258292661 1044495722 /nfs/dbraw/zinc/49/57/22/1044495722.db2.gz YEMFENCNZAJYNW-YZGWKJHDSA-N 2 2 377.598 3.943 20 0 GHADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258575266 1044650085 /nfs/dbraw/zinc/65/00/85/1044650085.db2.gz BNWYNBJCAAZQNH-FKBYEOEOSA-N 2 2 392.547 3.739 20 0 GHADLP O=C(c1ccccc1)N1CCC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001258641092 1044683951 /nfs/dbraw/zinc/68/39/51/1044683951.db2.gz XPEXPEWEGIAEDL-QHCPKHFHSA-N 2 2 377.532 3.545 20 0 GHADLP O=C(c1ccccc1)N1CCC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001258641092 1044683953 /nfs/dbraw/zinc/68/39/53/1044683953.db2.gz XPEXPEWEGIAEDL-QHCPKHFHSA-N 2 2 377.532 3.545 20 0 GHADLP COc1cc(C[C@@H](C)[NH2+]CC2CCN(c3cccc[nH+]3)CC2)cc(OC)c1OC ZINC001258858184 1044797709 /nfs/dbraw/zinc/79/77/09/1044797709.db2.gz KXNJUXSGDNSPRF-QGZVFWFLSA-N 2 2 399.535 3.545 20 0 GHADLP CCOC(=O)[C@H](CSCc1ccccc1)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258905688 1044859907 /nfs/dbraw/zinc/85/99/07/1044859907.db2.gz WESDTFRLFJXXFG-ICSRJNTNSA-N 2 2 380.598 3.952 20 0 GHADLP C[C@H](NC(=O)c1c[nH+]ccc1Nc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001296233037 1045285144 /nfs/dbraw/zinc/28/51/44/1045285144.db2.gz YUADXBHSLWPQEQ-ROUUACIJSA-N 2 2 378.520 3.630 20 0 GHADLP C[C@H](NC(=O)c1c[nH+]ccc1Nc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001296233037 1045285152 /nfs/dbraw/zinc/28/51/52/1045285152.db2.gz YUADXBHSLWPQEQ-ROUUACIJSA-N 2 2 378.520 3.630 20 0 GHADLP CC[C@H](C(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C)[NH+](C)C ZINC001298564315 1045873613 /nfs/dbraw/zinc/87/36/13/1045873613.db2.gz LFPBVMIDSLOUFM-VQTJNVASSA-N 2 2 379.976 3.739 20 0 GHADLP CC[C@H](C(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C)[NH+](C)C ZINC001298564315 1045873619 /nfs/dbraw/zinc/87/36/19/1045873619.db2.gz LFPBVMIDSLOUFM-VQTJNVASSA-N 2 2 379.976 3.739 20 0 GHADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000598036087 1047490061 /nfs/dbraw/zinc/49/00/61/1047490061.db2.gz UCPZGXCOSMUINV-HUUCEWRRSA-N 2 2 384.307 3.575 20 0 GHADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000598036087 1047490067 /nfs/dbraw/zinc/49/00/67/1047490067.db2.gz UCPZGXCOSMUINV-HUUCEWRRSA-N 2 2 384.307 3.575 20 0 GHADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501771 1047826470 /nfs/dbraw/zinc/82/64/70/1047826470.db2.gz JKQCSJSALKWNLA-RTBURBONSA-N 3 2 375.523 3.849 20 0 GHADLP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501771 1047826474 /nfs/dbraw/zinc/82/64/74/1047826474.db2.gz JKQCSJSALKWNLA-RTBURBONSA-N 3 2 375.523 3.849 20 0 GHADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501771 1047826478 /nfs/dbraw/zinc/82/64/78/1047826478.db2.gz JKQCSJSALKWNLA-RTBURBONSA-N 3 2 375.523 3.849 20 0 GHADLP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501771 1047826480 /nfs/dbraw/zinc/82/64/80/1047826480.db2.gz JKQCSJSALKWNLA-RTBURBONSA-N 3 2 375.523 3.849 20 0 GHADLP CC(C)Oc1ncc(Br)cc1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001280326046 1048182891 /nfs/dbraw/zinc/18/28/91/1048182891.db2.gz DKNKMOKGIREPOG-UHFFFAOYSA-N 2 2 382.346 3.549 20 0 GHADLP CC(C)Oc1ncc(Br)cc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001280326046 1048182898 /nfs/dbraw/zinc/18/28/98/1048182898.db2.gz DKNKMOKGIREPOG-UHFFFAOYSA-N 2 2 382.346 3.549 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](C)CCC[C@@H]3C)CC2)cc1 ZINC001307476765 1049315521 /nfs/dbraw/zinc/31/55/21/1049315521.db2.gz ABNRKZADOOHYEE-SFTDATJTSA-N 2 2 385.596 3.965 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](C)CCC[C@@H]3C)CC2)cc1 ZINC001307476765 1049315535 /nfs/dbraw/zinc/31/55/35/1049315535.db2.gz ABNRKZADOOHYEE-SFTDATJTSA-N 2 2 385.596 3.965 20 0 GHADLP Cc1ccc(Br)cc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001307594421 1049432966 /nfs/dbraw/zinc/43/29/66/1049432966.db2.gz DDRYWQAETGHIAN-UHFFFAOYSA-N 2 2 394.401 3.748 20 0 GHADLP CC1=Nc2ccccc2C12CC[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC001307890955 1049669714 /nfs/dbraw/zinc/66/97/14/1049669714.db2.gz WCXSAJHLPXRJTC-NRFANRHFSA-N 2 2 377.532 3.619 20 0 GHADLP CC1=Nc2ccccc2C12CC[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)CC2 ZINC001307890955 1049669717 /nfs/dbraw/zinc/66/97/17/1049669717.db2.gz WCXSAJHLPXRJTC-NRFANRHFSA-N 2 2 377.532 3.619 20 0 GHADLP Cc1ccc(C(=O)NCC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cc1F ZINC001308193564 1049907690 /nfs/dbraw/zinc/90/76/90/1049907690.db2.gz HRGODZSXENTETH-HXUWFJFHSA-N 2 2 383.511 3.507 20 0 GHADLP Cc1ccc(C(=O)NCC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1F ZINC001308193564 1049907693 /nfs/dbraw/zinc/90/76/93/1049907693.db2.gz HRGODZSXENTETH-HXUWFJFHSA-N 2 2 383.511 3.507 20 0 GHADLP Fc1ccc(OC(F)F)c(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001308198243 1049909642 /nfs/dbraw/zinc/90/96/42/1049909642.db2.gz RSISCZZGCQZKPI-UHFFFAOYSA-N 2 2 393.453 3.729 20 0 GHADLP COc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(F)cc1Br ZINC001308217630 1049916120 /nfs/dbraw/zinc/91/61/20/1049916120.db2.gz HEVZXCDOODTPMJ-MRXNPFEDSA-N 2 2 384.293 3.998 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001308338616 1049952766 /nfs/dbraw/zinc/95/27/66/1049952766.db2.gz AGYPDXZGSCBEJO-MRXNPFEDSA-N 3 2 397.510 3.527 20 0 GHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001308338616 1049952768 /nfs/dbraw/zinc/95/27/68/1049952768.db2.gz AGYPDXZGSCBEJO-MRXNPFEDSA-N 3 2 397.510 3.527 20 0 GHADLP COc1cc(Br)c(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1O ZINC001308682266 1050058200 /nfs/dbraw/zinc/05/82/00/1050058200.db2.gz PNJOBABVCRKFPE-ZIAGYGMSSA-N 2 2 397.357 3.906 20 0 GHADLP COc1cc(Br)c(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1O ZINC001308682266 1050058206 /nfs/dbraw/zinc/05/82/06/1050058206.db2.gz PNJOBABVCRKFPE-ZIAGYGMSSA-N 2 2 397.357 3.906 20 0 GHADLP COC(=O)[C@@H](C)Oc1ccccc1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001308983176 1050245334 /nfs/dbraw/zinc/24/53/34/1050245334.db2.gz MCVKJJKMRNQNEA-MSOLQXFVSA-N 2 2 399.535 3.958 20 0 GHADLP COC(=O)[C@@H](C)Oc1ccccc1C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001308983176 1050245350 /nfs/dbraw/zinc/24/53/50/1050245350.db2.gz MCVKJJKMRNQNEA-MSOLQXFVSA-N 2 2 399.535 3.958 20 0 GHADLP [NH3+]Cc1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)cc(C(F)(F)F)c1 ZINC001328271595 1050457517 /nfs/dbraw/zinc/45/75/17/1050457517.db2.gz MYIBOZGVWNTRHC-GOSISDBHSA-N 2 2 392.425 3.552 20 0 GHADLP [NH3+]Cc1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)cc(C(F)(F)F)c1 ZINC001328271595 1050457531 /nfs/dbraw/zinc/45/75/31/1050457531.db2.gz MYIBOZGVWNTRHC-GOSISDBHSA-N 2 2 392.425 3.552 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC001329596846 1050856499 /nfs/dbraw/zinc/85/64/99/1050856499.db2.gz MPROLQKYWBYAFT-GFCCVEGCSA-N 2 2 384.268 3.916 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC001329596846 1050856505 /nfs/dbraw/zinc/85/65/05/1050856505.db2.gz MPROLQKYWBYAFT-GFCCVEGCSA-N 2 2 384.268 3.916 20 0 GHADLP CC1CC[NH+]([C@@H](CNC(=O)Nc2cc[nH+]c(N(C)C)c2)c2cccs2)CC1 ZINC001311076470 1051831464 /nfs/dbraw/zinc/83/14/64/1051831464.db2.gz KZKLKYKVARHXAE-KRWDZBQOSA-N 2 2 387.553 3.804 20 0 GHADLP CC(C)[NH+](CCNC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)C(C)C ZINC001311421141 1052126114 /nfs/dbraw/zinc/12/61/14/1052126114.db2.gz SHLODFOIVCTUHN-GOSISDBHSA-N 2 2 377.577 3.646 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)c1ccccc1 ZINC001311421861 1052126337 /nfs/dbraw/zinc/12/63/37/1052126337.db2.gz YVPRTSYINFAEGJ-VQTJNVASSA-N 2 2 397.567 3.830 20 0 GHADLP CCC[N@H+](C)[C@@H](CNC(=O)NCc1cc[nH+]c(NC)c1)c1ccc(Cl)cc1 ZINC001312675575 1052834553 /nfs/dbraw/zinc/83/45/53/1052834553.db2.gz WHJFGALUBAJHIG-SFHVURJKSA-N 2 2 389.931 3.659 20 0 GHADLP CCC[N@@H+](C)[C@@H](CNC(=O)NCc1cc[nH+]c(NC)c1)c1ccc(Cl)cc1 ZINC001312675575 1052834558 /nfs/dbraw/zinc/83/45/58/1052834558.db2.gz WHJFGALUBAJHIG-SFHVURJKSA-N 2 2 389.931 3.659 20 0 GHADLP CCNc1cc(CNC(=O)N2CCC(CCC[NH+](CC)CC)CC2)cc[nH+]1 ZINC001313321067 1053017585 /nfs/dbraw/zinc/01/75/85/1053017585.db2.gz VVKWFNUIRPXPMV-UHFFFAOYSA-N 2 2 375.561 3.557 20 0 GHADLP Cc1cc(C[NH3+])oc1C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC001342280883 1053069556 /nfs/dbraw/zinc/06/95/56/1053069556.db2.gz NXNDSZWNSPVMSP-UHFFFAOYSA-N 2 2 387.483 3.575 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(OCc2cscn2)c1 ZINC001318491307 1054676311 /nfs/dbraw/zinc/67/63/11/1054676311.db2.gz PMTNXQHKXLVENG-UHFFFAOYSA-N 2 2 391.456 3.864 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC001319179155 1055082869 /nfs/dbraw/zinc/08/28/69/1055082869.db2.gz ZFFUKZCVDZFCIS-FCEUIQTBSA-N 2 2 380.536 3.656 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC001319179155 1055082888 /nfs/dbraw/zinc/08/28/88/1055082888.db2.gz ZFFUKZCVDZFCIS-FCEUIQTBSA-N 2 2 380.536 3.656 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC001319552475 1055321467 /nfs/dbraw/zinc/32/14/67/1055321467.db2.gz LSLFLIHPDXXCCJ-FQEVSTJZSA-N 2 2 376.504 3.849 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC001319552475 1055321485 /nfs/dbraw/zinc/32/14/85/1055321485.db2.gz LSLFLIHPDXXCCJ-FQEVSTJZSA-N 2 2 376.504 3.849 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1 ZINC001320515219 1055855005 /nfs/dbraw/zinc/85/50/05/1055855005.db2.gz FVLULRNDEVFIRR-UHFFFAOYSA-N 2 2 398.422 3.765 20 0 GHADLP Cc1c(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)ccc2c[nH+]cn21 ZINC001321149126 1056121207 /nfs/dbraw/zinc/12/12/07/1056121207.db2.gz KUJHJSNJBXPTHG-UHFFFAOYSA-N 2 2 393.878 3.835 20 0 GHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC001200702431 1056767304 /nfs/dbraw/zinc/76/73/04/1056767304.db2.gz AHOBTRLHGBTBMM-XLIONFOSSA-N 2 2 396.428 3.817 20 0 GHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC001200702431 1056767315 /nfs/dbraw/zinc/76/73/15/1056767315.db2.gz AHOBTRLHGBTBMM-XLIONFOSSA-N 2 2 396.428 3.817 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001324010634 1057054899 /nfs/dbraw/zinc/05/48/99/1057054899.db2.gz NJLHMTFLMUEWDH-FQEVSTJZSA-N 2 2 379.508 3.588 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001324010634 1057054902 /nfs/dbraw/zinc/05/49/02/1057054902.db2.gz NJLHMTFLMUEWDH-FQEVSTJZSA-N 2 2 379.508 3.588 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000848519141 1057144777 /nfs/dbraw/zinc/14/47/77/1057144777.db2.gz PUBMUTUVAPTHAW-UXHICEINSA-N 2 2 384.524 3.857 20 0 GHADLP c1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccc3c(c2)CCCO3)cc1 ZINC000848534718 1057157249 /nfs/dbraw/zinc/15/72/49/1057157249.db2.gz UTDVYEIDFUKZSY-NOZRDPDXSA-N 2 2 392.543 3.944 20 0 GHADLP C[NH2+][C@@H](C)c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000848624659 1057212601 /nfs/dbraw/zinc/21/26/01/1057212601.db2.gz CPNJLIAKNVWQMR-INIZCTEOSA-N 2 2 378.476 3.516 20 0 GHADLP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000849053567 1057563182 /nfs/dbraw/zinc/56/31/82/1057563182.db2.gz WXMDBQGTEOGSSC-OAQYLSRUSA-N 2 2 380.536 3.649 20 0 GHADLP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000849053567 1057563192 /nfs/dbraw/zinc/56/31/92/1057563192.db2.gz WXMDBQGTEOGSSC-OAQYLSRUSA-N 2 2 380.536 3.649 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1coc(/C=C/C(=O)OC(C)(C)C)c1 ZINC001444201689 1059281044 /nfs/dbraw/zinc/28/10/44/1059281044.db2.gz AQGLELOHTPZOHV-AATRIKPKSA-N 2 2 394.431 3.776 20 0 GHADLP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001448618360 1060228309 /nfs/dbraw/zinc/22/83/09/1060228309.db2.gz ATDFQWGOXVSRMG-PMACEKPBSA-N 2 2 386.927 3.582 20 0 GHADLP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001448618360 1060228332 /nfs/dbraw/zinc/22/83/32/1060228332.db2.gz ATDFQWGOXVSRMG-PMACEKPBSA-N 2 2 386.927 3.582 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC001450071107 1060522570 /nfs/dbraw/zinc/52/25/70/1060522570.db2.gz FSNNXDMDGVAKLN-OAQYLSRUSA-N 2 2 378.520 3.703 20 0 GHADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC001450071107 1060522586 /nfs/dbraw/zinc/52/25/86/1060522586.db2.gz FSNNXDMDGVAKLN-OAQYLSRUSA-N 2 2 378.520 3.703 20 0 GHADLP Cc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(Sc2ccccc2)c1 ZINC001453168590 1061086330 /nfs/dbraw/zinc/08/63/30/1061086330.db2.gz PTIIDPLBUPDGRV-UHFFFAOYSA-N 2 2 385.577 3.760 20 0 GHADLP Cc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(Sc2ccccc2)c1 ZINC001453168590 1061086339 /nfs/dbraw/zinc/08/63/39/1061086339.db2.gz PTIIDPLBUPDGRV-UHFFFAOYSA-N 2 2 385.577 3.760 20 0 GHADLP Cc1cccc([C@@H]2C[C@H]2C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001435866111 1062969494 /nfs/dbraw/zinc/96/94/94/1062969494.db2.gz RSHRRAFDTLCGLT-KIHHCIJBSA-N 2 2 397.607 3.894 20 0 GHADLP Cc1cccc([C@@H]2C[C@H]2C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001435866111 1062969500 /nfs/dbraw/zinc/96/95/00/1062969500.db2.gz RSHRRAFDTLCGLT-KIHHCIJBSA-N 2 2 397.607 3.894 20 0 GHADLP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)cc1 ZINC001457619923 1063282655 /nfs/dbraw/zinc/28/26/55/1063282655.db2.gz RSXNQPAIDYNXEV-OAQYLSRUSA-N 2 2 378.476 3.867 20 0 GHADLP CCc1c[nH]c2nc[nH+]c(NC3CC[NH+](CCOc4ccc(F)cc4)CC3)c12 ZINC001458259970 1063701819 /nfs/dbraw/zinc/70/18/19/1063701819.db2.gz KDGRZQJDPLTAFV-UHFFFAOYSA-N 2 2 383.471 3.615 20 0 GHADLP C[NH+](C)[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC001350740569 1064177356 /nfs/dbraw/zinc/17/73/56/1064177356.db2.gz GMDCACMTKVEXOW-AZUAARDMSA-N 2 2 389.927 3.879 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC001467117989 1067079704 /nfs/dbraw/zinc/07/97/04/1067079704.db2.gz BJECPEUZPDRYNO-OAQYLSRUSA-N 2 2 399.514 3.583 20 0 GHADLP C[C@@H](NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC001467372926 1067257504 /nfs/dbraw/zinc/25/75/04/1067257504.db2.gz LKAVXXAWBYVZMX-UTKZUKDTSA-N 2 2 381.524 3.885 20 0 GHADLP CN(C)c1c(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)ccc(F)c1F ZINC000623454403 1067605290 /nfs/dbraw/zinc/60/52/90/1067605290.db2.gz CQWCXRKDCIXYQY-UHFFFAOYSA-N 2 2 389.494 3.568 20 0 GHADLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000849107284 1067731763 /nfs/dbraw/zinc/73/17/63/1067731763.db2.gz LLZGMABKRWUPDJ-UHFFFAOYSA-N 2 2 390.369 3.611 20 0 GHADLP Cc1nc(NCc2cccc(C(=O)NC3CC[NH+](C4CCCC4)CC3)c2)cc[nH+]1 ZINC000544504702 1068058880 /nfs/dbraw/zinc/05/88/80/1068058880.db2.gz MDRRDMGAZMXBDJ-UHFFFAOYSA-N 2 2 393.535 3.534 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC3(CC(C)C)CCCC3)CC2)CC1 ZINC001469290939 1068082422 /nfs/dbraw/zinc/08/24/22/1068082422.db2.gz JGZNYNYPWLNBOV-UHFFFAOYSA-N 2 2 392.632 3.795 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC3(CC(C)C)CCCC3)CC2)CC1 ZINC001469290939 1068082437 /nfs/dbraw/zinc/08/24/37/1068082437.db2.gz JGZNYNYPWLNBOV-UHFFFAOYSA-N 2 2 392.632 3.795 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c(C)c1 ZINC001469503073 1068195089 /nfs/dbraw/zinc/19/50/89/1068195089.db2.gz SNRJFULBZVWINL-SFTDATJTSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c(C)c1 ZINC001469503073 1068195094 /nfs/dbraw/zinc/19/50/94/1068195094.db2.gz SNRJFULBZVWINL-SFTDATJTSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1c2ccccc2CC[C@H]1C[NH+](C)C ZINC001460409464 1068955517 /nfs/dbraw/zinc/95/55/17/1068955517.db2.gz YFEAWCPBEMPJPP-INIZCTEOSA-N 2 2 398.457 3.533 20 0 GHADLP C[C@H]1C[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CCN1c1cc[nH+]cc1 ZINC001460701507 1069099830 /nfs/dbraw/zinc/09/98/30/1069099830.db2.gz AUKTTWZSGFYOFI-SFHVURJKSA-N 2 2 398.526 3.559 20 0 GHADLP C[C@H]1C[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CCN1c1cc[nH+]cc1 ZINC001460701507 1069099843 /nfs/dbraw/zinc/09/98/43/1069099843.db2.gz AUKTTWZSGFYOFI-SFHVURJKSA-N 2 2 398.526 3.559 20 0 GHADLP C[C@@H]1C[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CCN1c1cc[nH+]cc1 ZINC001460701497 1069100401 /nfs/dbraw/zinc/10/04/01/1069100401.db2.gz AUKTTWZSGFYOFI-GOSISDBHSA-N 2 2 398.526 3.559 20 0 GHADLP C[C@@H]1C[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CCN1c1cc[nH+]cc1 ZINC001460701497 1069100404 /nfs/dbraw/zinc/10/04/04/1069100404.db2.gz AUKTTWZSGFYOFI-GOSISDBHSA-N 2 2 398.526 3.559 20 0 GHADLP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC001471571099 1073141185 /nfs/dbraw/zinc/14/11/85/1073141185.db2.gz JSXYYPAJUSBNQK-QFIPXVFZSA-N 2 2 399.579 3.527 20 0 GHADLP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC001471571099 1073141187 /nfs/dbraw/zinc/14/11/87/1073141187.db2.gz JSXYYPAJUSBNQK-QFIPXVFZSA-N 2 2 399.579 3.527 20 0 GHADLP Clc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1Br ZINC001473107255 1073782859 /nfs/dbraw/zinc/78/28/59/1073782859.db2.gz JOQIFUAWGQUBTK-UHFFFAOYSA-N 2 2 387.749 3.647 20 0 GHADLP COC(=O)N1CCC[N@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001473139423 1073802908 /nfs/dbraw/zinc/80/29/08/1073802908.db2.gz UPNHTVQJRUEONX-QHCPKHFHSA-N 2 2 395.547 3.676 20 0 GHADLP COC(=O)N1CCC[N@@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001473139423 1073802916 /nfs/dbraw/zinc/80/29/16/1073802916.db2.gz UPNHTVQJRUEONX-QHCPKHFHSA-N 2 2 395.547 3.676 20 0 GHADLP COC(=O)N1CCC[NH+](C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001473139423 1073802927 /nfs/dbraw/zinc/80/29/27/1073802927.db2.gz UPNHTVQJRUEONX-QHCPKHFHSA-N 2 2 395.547 3.676 20 0 GHADLP COC(=O)N1CCC[NH+](C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001473139423 1073802937 /nfs/dbraw/zinc/80/29/37/1073802937.db2.gz UPNHTVQJRUEONX-QHCPKHFHSA-N 2 2 395.547 3.676 20 0 GHADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC001479516598 1079222169 /nfs/dbraw/zinc/22/21/69/1079222169.db2.gz YMSOXPHKPNIYQT-SFTDATJTSA-N 2 2 392.563 3.580 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3nccc4c3CCCC4)CC2)c1 ZINC001473920514 1074204204 /nfs/dbraw/zinc/20/42/04/1074204204.db2.gz YTROCOHKIZJJLX-UHFFFAOYSA-N 2 2 378.564 3.571 20 0 GHADLP COc1ccccc1N1CCC([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC001473926894 1074206276 /nfs/dbraw/zinc/20/62/76/1074206276.db2.gz NMVMFFSJWRFPJA-UHFFFAOYSA-N 2 2 376.504 3.699 20 0 GHADLP O[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)COc1cccc(Cl)c1Cl ZINC001473962962 1074219074 /nfs/dbraw/zinc/21/90/74/1074219074.db2.gz CLJXKJRNDLZJMR-CYBMUJFWSA-N 2 2 398.315 3.770 20 0 GHADLP C[N@H+](CCCOc1ccccc1C[NH2+]Cc1cn(C(C)(C)C)nn1)C1CCCC1 ZINC001474032352 1074242162 /nfs/dbraw/zinc/24/21/62/1074242162.db2.gz JTIIDZNGZNOKSG-UHFFFAOYSA-N 2 2 399.583 3.966 20 0 GHADLP C[N@@H+](CCCOc1ccccc1C[NH2+]Cc1cn(C(C)(C)C)nn1)C1CCCC1 ZINC001474032352 1074242165 /nfs/dbraw/zinc/24/21/65/1074242165.db2.gz JTIIDZNGZNOKSG-UHFFFAOYSA-N 2 2 399.583 3.966 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(CC(F)(F)F)cc3)[nH+]c2)C1 ZINC001474076732 1074256340 /nfs/dbraw/zinc/25/63/40/1074256340.db2.gz HKWHFCXBIZSHPI-GOSISDBHSA-N 2 2 378.442 3.939 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001474137061 1074273474 /nfs/dbraw/zinc/27/34/74/1074273474.db2.gz ZXAWOJDXMOPBLU-OKYOBFRVSA-N 2 2 379.589 3.732 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001474137061 1074273478 /nfs/dbraw/zinc/27/34/78/1074273478.db2.gz ZXAWOJDXMOPBLU-OKYOBFRVSA-N 2 2 379.589 3.732 20 0 GHADLP Brc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001474229850 1074300821 /nfs/dbraw/zinc/30/08/21/1074300821.db2.gz FEPWZDSAYSKPLP-SFHVURJKSA-N 2 2 389.341 3.946 20 0 GHADLP Brc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001474229850 1074300828 /nfs/dbraw/zinc/30/08/28/1074300828.db2.gz FEPWZDSAYSKPLP-SFHVURJKSA-N 2 2 389.341 3.946 20 0 GHADLP CCOc1cccc(F)c1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001474349097 1074357243 /nfs/dbraw/zinc/35/72/43/1074357243.db2.gz VBFGBNSJFHEBDP-UHFFFAOYSA-N 3 2 391.575 3.853 20 0 GHADLP CCOc1cccc(F)c1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001474349097 1074357252 /nfs/dbraw/zinc/35/72/52/1074357252.db2.gz VBFGBNSJFHEBDP-UHFFFAOYSA-N 3 2 391.575 3.853 20 0 GHADLP c1csc(C[N@@H+]2CCOC3(CCN(c4ccc5c([nH+]4)CCCC5)CC3)C2)c1 ZINC001164694861 719890792 /nfs/dbraw/zinc/89/07/92/719890792.db2.gz FQYZFHFCFVTUDA-UHFFFAOYSA-N 2 2 383.561 3.893 20 0 GHADLP c1csc(C[N@H+]2CCOC3(CCN(c4ccc5c([nH+]4)CCCC5)CC3)C2)c1 ZINC001164694861 719890793 /nfs/dbraw/zinc/89/07/93/719890793.db2.gz FQYZFHFCFVTUDA-UHFFFAOYSA-N 2 2 383.561 3.893 20 0 GHADLP Cc1nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc(C2CCCCC2)[nH+]1 ZINC001164736082 720578167 /nfs/dbraw/zinc/57/81/67/720578167.db2.gz AVPKSEWAPMWRHN-UHFFFAOYSA-N 2 2 394.567 3.688 20 0 GHADLP Cc1ccc2c(C)cc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)[nH+]c2c1C ZINC001164769245 721208562 /nfs/dbraw/zinc/20/85/62/721208562.db2.gz LVZFTANZRWMUSV-NHCUHLMSSA-N 2 2 389.547 3.852 20 0 GHADLP Cc1ccc2c(C)cc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)[nH+]c2c1C ZINC001164769245 721208571 /nfs/dbraw/zinc/20/85/71/721208571.db2.gz LVZFTANZRWMUSV-NHCUHLMSSA-N 2 2 389.547 3.852 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000580115708 837430104 /nfs/dbraw/zinc/43/01/04/837430104.db2.gz SYZHLAUBIFHTQL-UHFFFAOYSA-N 2 2 379.295 3.601 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000580115708 837430114 /nfs/dbraw/zinc/43/01/14/837430114.db2.gz SYZHLAUBIFHTQL-UHFFFAOYSA-N 2 2 379.295 3.601 20 0 GHADLP Cc1cc(C)c(CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000584512572 837468637 /nfs/dbraw/zinc/46/86/37/837468637.db2.gz JHVZFGQDVDYOJB-NRFANRHFSA-N 2 2 380.536 3.800 20 0 GHADLP Cc1cc(C)c(CNC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000584512572 837468644 /nfs/dbraw/zinc/46/86/44/837468644.db2.gz JHVZFGQDVDYOJB-NRFANRHFSA-N 2 2 380.536 3.800 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000655689685 837681386 /nfs/dbraw/zinc/68/13/86/837681386.db2.gz JYLSAOTYILIARG-MBSDFSHPSA-N 2 2 393.531 3.843 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(OCc2ccccn2)c1 ZINC000655696113 837686958 /nfs/dbraw/zinc/68/69/58/837686958.db2.gz AODQLIXETZFUOJ-XMSQKQJNSA-N 2 2 381.520 3.565 20 0 GHADLP CCCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1OC ZINC000655700060 837690654 /nfs/dbraw/zinc/69/06/54/837690654.db2.gz CLSDQERSEKOSJJ-XLIONFOSSA-N 2 2 376.541 3.778 20 0 GHADLP Fc1cccc(Oc2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cn2)c1 ZINC000655712382 837704291 /nfs/dbraw/zinc/70/42/91/837704291.db2.gz JTWXRIDHNZPFLY-NRFANRHFSA-N 2 2 385.483 3.746 20 0 GHADLP Cc1ccc(C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccn2)cc1 ZINC000655716352 837724388 /nfs/dbraw/zinc/72/43/88/837724388.db2.gz SOQCXXXSZBDDJY-LADGPHEKSA-N 2 2 379.548 3.907 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2OCC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000090942534 834614523 /nfs/dbraw/zinc/61/45/23/834614523.db2.gz LWEAOVFZDDOMDD-LPHOPBHVSA-N 2 2 375.463 3.868 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2OCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000090942534 834614528 /nfs/dbraw/zinc/61/45/28/834614528.db2.gz LWEAOVFZDDOMDD-LPHOPBHVSA-N 2 2 375.463 3.868 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(N4CCCC4)nc3)CC2)cc1 ZINC000151042655 834626852 /nfs/dbraw/zinc/62/68/52/834626852.db2.gz CFDUNHDQIOYHEO-UHFFFAOYSA-N 2 2 382.527 3.618 20 0 GHADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000583548406 834627895 /nfs/dbraw/zinc/62/78/95/834627895.db2.gz MOOLDQRNCXWQIZ-HXUWFJFHSA-N 2 2 381.524 3.920 20 0 GHADLP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000583548406 834627899 /nfs/dbraw/zinc/62/78/99/834627899.db2.gz MOOLDQRNCXWQIZ-HXUWFJFHSA-N 2 2 381.524 3.920 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662266319 834733587 /nfs/dbraw/zinc/73/35/87/834733587.db2.gz LYIJWQUXNVDSAE-WDEREUQCSA-N 2 2 381.236 3.559 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662266319 834733592 /nfs/dbraw/zinc/73/35/92/834733592.db2.gz LYIJWQUXNVDSAE-WDEREUQCSA-N 2 2 381.236 3.559 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C(F)F)nc1 ZINC000657889639 834965922 /nfs/dbraw/zinc/96/59/22/834965922.db2.gz SQFSRRXVYDIGMZ-KFKAGJAMSA-N 2 2 375.463 3.553 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C(F)F)nc1 ZINC000657889639 834965927 /nfs/dbraw/zinc/96/59/27/834965927.db2.gz SQFSRRXVYDIGMZ-KFKAGJAMSA-N 2 2 375.463 3.553 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000448120804 834979096 /nfs/dbraw/zinc/97/90/96/834979096.db2.gz BEBHXZVEDRREPY-XUZZJYLKSA-N 2 2 393.575 3.878 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000448120804 834979102 /nfs/dbraw/zinc/97/91/02/834979102.db2.gz BEBHXZVEDRREPY-XUZZJYLKSA-N 2 2 393.575 3.878 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000448120804 834979108 /nfs/dbraw/zinc/97/91/08/834979108.db2.gz BEBHXZVEDRREPY-XUZZJYLKSA-N 2 2 393.575 3.878 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000448120804 834979112 /nfs/dbraw/zinc/97/91/12/834979112.db2.gz BEBHXZVEDRREPY-XUZZJYLKSA-N 2 2 393.575 3.878 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000685468764 835033532 /nfs/dbraw/zinc/03/35/32/835033532.db2.gz TXOGLJFXUGXPDP-XZOQPEGZSA-N 3 2 384.487 3.791 20 0 GHADLP [NH3+][C@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000140838578 835105799 /nfs/dbraw/zinc/10/57/99/835105799.db2.gz IOSFYVNSFLEEBB-QHCPKHFHSA-N 2 2 385.511 3.620 20 0 GHADLP C[C@@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000066393924 835108921 /nfs/dbraw/zinc/10/89/21/835108921.db2.gz PKXORKHJXGXDST-INIZCTEOSA-N 2 2 399.501 3.683 20 0 GHADLP C[C@@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000066393924 835108924 /nfs/dbraw/zinc/10/89/24/835108924.db2.gz PKXORKHJXGXDST-INIZCTEOSA-N 2 2 399.501 3.683 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1NC(C)=O ZINC000151347434 835387412 /nfs/dbraw/zinc/38/74/12/835387412.db2.gz JNQSGOLVLVKULS-MRXNPFEDSA-N 2 2 378.476 3.749 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(Nc2ccccc2Cl)CC1 ZINC001167674659 835827335 /nfs/dbraw/zinc/82/73/35/835827335.db2.gz MWTOTNYGHMWZJT-FQEVSTJZSA-N 2 2 387.955 3.709 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(Nc2ccccc2Cl)CC1 ZINC001167674659 835827344 /nfs/dbraw/zinc/82/73/44/835827344.db2.gz MWTOTNYGHMWZJT-FQEVSTJZSA-N 2 2 387.955 3.709 20 0 GHADLP C[NH+]1CCC(C)(CNC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1 ZINC000584347533 835908017 /nfs/dbraw/zinc/90/80/17/835908017.db2.gz UPZGSKYEMOPMOO-UHFFFAOYSA-N 2 2 381.524 3.740 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(C(F)F)nc1 ZINC000657850440 835934899 /nfs/dbraw/zinc/93/48/99/835934899.db2.gz SWNTUPUCEOAVAS-MRXNPFEDSA-N 2 2 391.462 3.581 20 0 GHADLP Cc1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc(OC(F)(F)F)c1 ZINC001143463815 836073065 /nfs/dbraw/zinc/07/30/65/836073065.db2.gz LBHQSTQELMZLIN-HDICACEKSA-N 2 2 391.437 3.852 20 0 GHADLP Cc1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc(OC(F)(F)F)c1 ZINC001143463815 836073073 /nfs/dbraw/zinc/07/30/73/836073073.db2.gz LBHQSTQELMZLIN-HDICACEKSA-N 2 2 391.437 3.852 20 0 GHADLP Cc1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc(OC(F)(F)F)c1 ZINC001143463815 836073079 /nfs/dbraw/zinc/07/30/79/836073079.db2.gz LBHQSTQELMZLIN-HDICACEKSA-N 2 2 391.437 3.852 20 0 GHADLP Cc1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc(OC(F)(F)F)c1 ZINC001143463815 836073092 /nfs/dbraw/zinc/07/30/92/836073092.db2.gz LBHQSTQELMZLIN-HDICACEKSA-N 2 2 391.437 3.852 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000066007498 836512404 /nfs/dbraw/zinc/51/24/04/836512404.db2.gz FWEKEAYHQDYNRJ-UHFFFAOYSA-N 2 2 389.396 3.648 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000066007498 836512407 /nfs/dbraw/zinc/51/24/07/836512407.db2.gz FWEKEAYHQDYNRJ-UHFFFAOYSA-N 2 2 389.396 3.648 20 0 GHADLP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC000582003078 844181152 /nfs/dbraw/zinc/18/11/52/844181152.db2.gz SFDGGSQOIDRZNR-IBGZPJMESA-N 2 2 378.442 3.526 20 0 GHADLP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC000582003078 844181157 /nfs/dbraw/zinc/18/11/57/844181157.db2.gz SFDGGSQOIDRZNR-IBGZPJMESA-N 2 2 378.442 3.526 20 0 GHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000109794955 836703332 /nfs/dbraw/zinc/70/33/32/836703332.db2.gz WUNWTWXDZWAFMF-JOCHJYFZSA-N 2 2 390.487 3.909 20 0 GHADLP CCSc1ccccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000376066803 836730187 /nfs/dbraw/zinc/73/01/87/836730187.db2.gz KNJULFGTNLQTCV-OOKSDGMUSA-N 2 2 375.582 3.533 20 0 GHADLP CCSc1ccccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000376066803 836730197 /nfs/dbraw/zinc/73/01/97/836730197.db2.gz KNJULFGTNLQTCV-OOKSDGMUSA-N 2 2 375.582 3.533 20 0 GHADLP Cc1cc(N2CC(c3[nH+]cn4cc(Br)ccc34)C2)nc(C2CC2)[nH+]1 ZINC001167168412 836769740 /nfs/dbraw/zinc/76/97/40/836769740.db2.gz BCOCAIBQMFBCFG-UHFFFAOYSA-N 2 2 384.281 3.676 20 0 GHADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134345061 837318733 /nfs/dbraw/zinc/31/87/33/837318733.db2.gz OQLXBKZHCJAHIF-SFHVURJKSA-N 2 2 391.346 3.917 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000893049282 837847139 /nfs/dbraw/zinc/84/71/39/837847139.db2.gz ZJZIWXJWRBIULJ-FXAWDEMLSA-N 2 2 378.438 3.736 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000893049282 837847148 /nfs/dbraw/zinc/84/71/48/837847148.db2.gz ZJZIWXJWRBIULJ-FXAWDEMLSA-N 2 2 378.438 3.736 20 0 GHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCSc2ccc(F)cc2F)CC1 ZINC000659863473 837874777 /nfs/dbraw/zinc/87/47/77/837874777.db2.gz JHBIPCDUWHXCBZ-IRXDYDNUSA-N 2 2 383.552 3.547 20 0 GHADLP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000415943350 838295493 /nfs/dbraw/zinc/29/54/93/838295493.db2.gz LMQQDISFQYPQKC-NHCUHLMSSA-N 2 2 375.476 3.653 20 0 GHADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182087586 838324409 /nfs/dbraw/zinc/32/44/09/838324409.db2.gz ARISYAOULPLXIA-QGZVFWFLSA-N 2 2 399.489 3.956 20 0 GHADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182087586 838324412 /nfs/dbraw/zinc/32/44/12/838324412.db2.gz ARISYAOULPLXIA-QGZVFWFLSA-N 2 2 399.489 3.956 20 0 GHADLP C[NH2+]Cc1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000415987539 838355718 /nfs/dbraw/zinc/35/57/18/838355718.db2.gz YBSDRAAAHSTVRC-NRFANRHFSA-N 2 2 377.492 3.782 20 0 GHADLP C[C@](CO)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000511538860 838672006 /nfs/dbraw/zinc/67/20/06/838672006.db2.gz CMHSKJWAFQMWLJ-LJQANCHMSA-N 2 2 386.293 3.632 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc2c(c1)CCCC2 ZINC000549841624 844442390 /nfs/dbraw/zinc/44/23/90/844442390.db2.gz XILIXIMBKJNGEL-AXHZCLLHSA-N 2 2 383.580 3.549 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc2c(c1)CCCC2 ZINC000549841624 844442397 /nfs/dbraw/zinc/44/23/97/844442397.db2.gz XILIXIMBKJNGEL-AXHZCLLHSA-N 2 2 383.580 3.549 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc2c(c1)CCCC2 ZINC000549841624 844442406 /nfs/dbraw/zinc/44/24/06/844442406.db2.gz XILIXIMBKJNGEL-AXHZCLLHSA-N 2 2 383.580 3.549 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc2c(c1)CCCC2 ZINC000549841624 844442414 /nfs/dbraw/zinc/44/24/14/844442414.db2.gz XILIXIMBKJNGEL-AXHZCLLHSA-N 2 2 383.580 3.549 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000510329155 839563514 /nfs/dbraw/zinc/56/35/14/839563514.db2.gz LAEIKKIJSZZOSQ-LJQANCHMSA-N 2 2 380.517 3.809 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cn2c(=O)sc3c2CCCC3)CC1 ZINC000066793793 839765513 /nfs/dbraw/zinc/76/55/13/839765513.db2.gz DMEOIKBBXNILBV-UHFFFAOYSA-N 2 2 385.577 3.590 20 0 GHADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cn2c(=O)sc3c2CCCC3)CC1 ZINC000066793793 839765516 /nfs/dbraw/zinc/76/55/16/839765516.db2.gz DMEOIKBBXNILBV-UHFFFAOYSA-N 2 2 385.577 3.590 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000893019023 839947514 /nfs/dbraw/zinc/94/75/14/839947514.db2.gz IRGDBTNUDBRPGE-BBRMVZONSA-N 2 2 379.551 3.554 20 0 GHADLP CCOC(=O)c1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000893019023 839947521 /nfs/dbraw/zinc/94/75/21/839947521.db2.gz IRGDBTNUDBRPGE-BBRMVZONSA-N 2 2 379.551 3.554 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cc[nH+]c1 ZINC000580684304 840012011 /nfs/dbraw/zinc/01/20/11/840012011.db2.gz WQZPIMJWBYPBGA-UHFFFAOYSA-N 2 2 383.323 3.561 20 0 GHADLP CC[NH2+]CC1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000580702887 840032664 /nfs/dbraw/zinc/03/26/64/840032664.db2.gz HUOYBMOGKMKRIM-UHFFFAOYSA-N 2 2 381.524 3.740 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000430505685 840104334 /nfs/dbraw/zinc/10/43/34/840104334.db2.gz ZSRMZYCADSFMAQ-UHFFFAOYSA-N 2 2 377.492 3.558 20 0 GHADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1c(Cl)cccc1Cl ZINC000601476547 840155593 /nfs/dbraw/zinc/15/55/93/840155593.db2.gz FPBWMBFMXJPWKP-GDBMZVCRSA-N 2 2 398.378 3.724 20 0 GHADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1c(Cl)cccc1Cl ZINC000601476547 840155599 /nfs/dbraw/zinc/15/55/99/840155599.db2.gz FPBWMBFMXJPWKP-GDBMZVCRSA-N 2 2 398.378 3.724 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)CCC2 ZINC000584586206 840288593 /nfs/dbraw/zinc/28/85/93/840288593.db2.gz PHOCWDWSCKIHJP-AWEZNQCLSA-N 2 2 380.414 3.706 20 0 GHADLP CCc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000580946215 840490050 /nfs/dbraw/zinc/49/00/50/840490050.db2.gz NGWSUEQJSAHOFJ-FANLQWHUSA-N 2 2 398.572 3.615 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000277033772 844579072 /nfs/dbraw/zinc/57/90/72/844579072.db2.gz BHXVBCQQENAAEC-SFHVURJKSA-N 2 2 389.341 3.822 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000277033772 844579088 /nfs/dbraw/zinc/57/90/88/844579088.db2.gz BHXVBCQQENAAEC-SFHVURJKSA-N 2 2 389.341 3.822 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2ccc(C(F)F)cc2)([NH+]2CCCCC2)CC1 ZINC000933106732 840882287 /nfs/dbraw/zinc/88/22/87/840882287.db2.gz KFDRHSVLXQLBSL-UHFFFAOYSA-N 2 2 380.483 3.696 20 0 GHADLP C[C@@H](CCC[NH3+])NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000417487432 840909642 /nfs/dbraw/zinc/90/96/42/840909642.db2.gz AOMLWFHNBVEASO-SFHVURJKSA-N 2 2 391.519 3.525 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1cccc2ccccc21 ZINC000660654774 841069152 /nfs/dbraw/zinc/06/91/52/841069152.db2.gz CUQNOKXSXGMDEN-AXHZCLLHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1cccc2ccccc21 ZINC000660654774 841069162 /nfs/dbraw/zinc/06/91/62/841069162.db2.gz CUQNOKXSXGMDEN-AXHZCLLHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)c1cccc2ccccc21 ZINC000660654774 841069171 /nfs/dbraw/zinc/06/91/71/841069171.db2.gz CUQNOKXSXGMDEN-AXHZCLLHSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)c1cccc2ccccc21 ZINC000660654774 841069187 /nfs/dbraw/zinc/06/91/87/841069187.db2.gz CUQNOKXSXGMDEN-AXHZCLLHSA-N 2 2 379.548 3.823 20 0 GHADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000660694785 841106064 /nfs/dbraw/zinc/10/60/64/841106064.db2.gz IMNVCWVYOPTILU-UHFFFAOYSA-N 2 2 388.474 3.547 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000581468191 841453735 /nfs/dbraw/zinc/45/37/35/841453735.db2.gz VUMCWNDAKYBQJX-JXFKEZNVSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000581468191 841453738 /nfs/dbraw/zinc/45/37/38/841453738.db2.gz VUMCWNDAKYBQJX-JXFKEZNVSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000581468194 841454904 /nfs/dbraw/zinc/45/49/04/841454904.db2.gz VUMCWNDAKYBQJX-UZLBHIALSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000581468194 841454907 /nfs/dbraw/zinc/45/49/07/841454907.db2.gz VUMCWNDAKYBQJX-UZLBHIALSA-N 2 2 377.960 3.684 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc3nc(C)sc3c2)cc1F ZINC000656790209 841924485 /nfs/dbraw/zinc/92/44/85/841924485.db2.gz RGZQACYMFDJLEN-LPHOPBHVSA-N 2 2 385.508 3.988 20 0 GHADLP FC(F)Oc1ccc(Br)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000647172544 841995122 /nfs/dbraw/zinc/99/51/22/841995122.db2.gz ZJTWJOYZELJDKP-QWHCGFSZSA-N 2 2 375.257 3.767 20 0 GHADLP FC(F)Oc1ccc(Br)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000647172544 841995127 /nfs/dbraw/zinc/99/51/27/841995127.db2.gz ZJTWJOYZELJDKP-QWHCGFSZSA-N 2 2 375.257 3.767 20 0 GHADLP FC(F)Oc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000647172543 841995196 /nfs/dbraw/zinc/99/51/96/841995196.db2.gz ZJTWJOYZELJDKP-OLZOCXBDSA-N 2 2 375.257 3.767 20 0 GHADLP FC(F)Oc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000647172543 841995202 /nfs/dbraw/zinc/99/52/02/841995202.db2.gz ZJTWJOYZELJDKP-OLZOCXBDSA-N 2 2 375.257 3.767 20 0 GHADLP FC(F)(F)[C@@H]1C[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C(F)(F)F ZINC000643250791 842077305 /nfs/dbraw/zinc/07/73/05/842077305.db2.gz YWVAMEWQVQCTBC-HZPDHXFCSA-N 2 2 396.375 3.691 20 0 GHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CCCO1 ZINC000432357455 842160021 /nfs/dbraw/zinc/16/00/21/842160021.db2.gz LCWNBFMQDSEKEJ-FQEVSTJZSA-N 2 2 398.595 3.819 20 0 GHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CCCO1 ZINC000432357455 842160025 /nfs/dbraw/zinc/16/00/25/842160025.db2.gz LCWNBFMQDSEKEJ-FQEVSTJZSA-N 2 2 398.595 3.819 20 0 GHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CCCO1 ZINC000432358004 842168482 /nfs/dbraw/zinc/16/84/82/842168482.db2.gz NYZQYIXXDAEIHG-IBGZPJMESA-N 2 2 384.568 3.760 20 0 GHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CCCO1 ZINC000432358004 842168485 /nfs/dbraw/zinc/16/84/85/842168485.db2.gz NYZQYIXXDAEIHG-IBGZPJMESA-N 2 2 384.568 3.760 20 0 GHADLP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000661856397 842243762 /nfs/dbraw/zinc/24/37/62/842243762.db2.gz SQJIYRUOHLTZEL-LJQANCHMSA-N 2 2 399.583 3.515 20 0 GHADLP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000661856397 842243777 /nfs/dbraw/zinc/24/37/77/842243777.db2.gz SQJIYRUOHLTZEL-LJQANCHMSA-N 2 2 399.583 3.515 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccccc1F ZINC000647182918 842258272 /nfs/dbraw/zinc/25/82/72/842258272.db2.gz ZSKREAIAHLJJMY-PZJWPPBQSA-N 2 2 393.506 3.718 20 0 GHADLP O=C1[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccccc1F ZINC000647182918 842258274 /nfs/dbraw/zinc/25/82/74/842258274.db2.gz ZSKREAIAHLJJMY-PZJWPPBQSA-N 2 2 393.506 3.718 20 0 GHADLP CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000511938633 842484541 /nfs/dbraw/zinc/48/45/41/842484541.db2.gz MGUGFVIDDBOVNQ-PXAZEXFGSA-N 2 2 398.370 3.833 20 0 GHADLP C[NH+](C)Cc1cnc(CNC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)s1 ZINC000511944601 842514144 /nfs/dbraw/zinc/51/41/44/842514144.db2.gz YFZARMCABLYYTB-INIZCTEOSA-N 2 2 386.487 3.616 20 0 GHADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548337804 842679048 /nfs/dbraw/zinc/67/90/48/842679048.db2.gz FSEFGVACPCXUFA-HZPDHXFCSA-N 2 2 386.927 3.998 20 0 GHADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548337804 842679053 /nfs/dbraw/zinc/67/90/53/842679053.db2.gz FSEFGVACPCXUFA-HZPDHXFCSA-N 2 2 386.927 3.998 20 0 GHADLP C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[NH+]1CCC(C)CC1 ZINC000247298109 842765702 /nfs/dbraw/zinc/76/57/02/842765702.db2.gz DYCJCOWULLNTHB-QIJUGHKUSA-N 2 2 395.551 3.531 20 0 GHADLP Fc1cccc(Cl)c1-c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)no1 ZINC000662291910 843082518 /nfs/dbraw/zinc/08/25/18/843082518.db2.gz APCUJFGGODWXAH-CQSZACIVSA-N 2 2 378.879 3.741 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512253996 843233430 /nfs/dbraw/zinc/23/34/30/843233430.db2.gz SQEYPGMVCAAMHZ-QHCPKHFHSA-N 2 2 382.504 3.727 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512253996 843233443 /nfs/dbraw/zinc/23/34/43/843233443.db2.gz SQEYPGMVCAAMHZ-QHCPKHFHSA-N 2 2 382.504 3.727 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512253996 843233457 /nfs/dbraw/zinc/23/34/57/843233457.db2.gz SQEYPGMVCAAMHZ-QHCPKHFHSA-N 2 2 382.504 3.727 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512253996 843233469 /nfs/dbraw/zinc/23/34/69/843233469.db2.gz SQEYPGMVCAAMHZ-QHCPKHFHSA-N 2 2 382.504 3.727 20 0 GHADLP [NH3+][C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(F)cc1F ZINC000662664356 843502109 /nfs/dbraw/zinc/50/21/09/843502109.db2.gz SBQVOFXKTFTPSU-MOPGFXCFSA-N 2 2 393.865 3.571 20 0 GHADLP [NH3+][C@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc(F)cc1F ZINC000662678065 843512542 /nfs/dbraw/zinc/51/25/42/843512542.db2.gz AZXQDLJOZDRBTK-MOPGFXCFSA-N 2 2 393.865 3.571 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418682308 843530520 /nfs/dbraw/zinc/53/05/20/843530520.db2.gz WHBRYPLJUPXUPY-YLJYHZDGSA-N 2 2 386.565 3.617 20 0 GHADLP CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000431089708 843584655 /nfs/dbraw/zinc/58/46/55/843584655.db2.gz VTJVXYAVFMCPQI-UHFFFAOYSA-N 2 2 377.838 3.761 20 0 GHADLP CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000431089708 843584662 /nfs/dbraw/zinc/58/46/62/843584662.db2.gz VTJVXYAVFMCPQI-UHFFFAOYSA-N 2 2 377.838 3.761 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000433297804 843985370 /nfs/dbraw/zinc/98/53/70/843985370.db2.gz MJFOQLSUELRDKS-SELNLUPBSA-N 2 2 395.547 3.927 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000433297804 843985371 /nfs/dbraw/zinc/98/53/71/843985371.db2.gz MJFOQLSUELRDKS-SELNLUPBSA-N 2 2 395.547 3.927 20 0 GHADLP CCc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535853785 844795098 /nfs/dbraw/zinc/79/50/98/844795098.db2.gz FKCCVWATEQKOEH-DHIUTWEWSA-N 2 2 385.596 3.587 20 0 GHADLP CCc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535853785 844795127 /nfs/dbraw/zinc/79/51/27/844795127.db2.gz FKCCVWATEQKOEH-DHIUTWEWSA-N 2 2 385.596 3.587 20 0 GHADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c(C)s1 ZINC000512673102 844992368 /nfs/dbraw/zinc/99/23/68/844992368.db2.gz MLISREJZHWEFPQ-FQEVSTJZSA-N 2 2 384.593 3.794 20 0 GHADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c(C)s1 ZINC000512673102 844992374 /nfs/dbraw/zinc/99/23/74/844992374.db2.gz MLISREJZHWEFPQ-FQEVSTJZSA-N 2 2 384.593 3.794 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000512683109 845029526 /nfs/dbraw/zinc/02/95/26/845029526.db2.gz MTPKARWWYDHIRE-QZTJIDSGSA-N 2 2 386.971 3.879 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000151052988 845141078 /nfs/dbraw/zinc/14/10/78/845141078.db2.gz FLQPHSWGQDRMAP-CVDCTZTESA-N 2 2 392.547 3.599 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000151052988 845141085 /nfs/dbraw/zinc/14/10/85/845141085.db2.gz FLQPHSWGQDRMAP-CVDCTZTESA-N 2 2 392.547 3.599 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)[C@H]2CCC3(C[C@@H]2F)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000892006853 845394669 /nfs/dbraw/zinc/39/46/69/845394669.db2.gz CPTWQXIZWOYRLA-PBASOCQRSA-N 2 2 376.516 3.605 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)[C@H]2CCC3(C[C@@H]2F)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000892006853 845394679 /nfs/dbraw/zinc/39/46/79/845394679.db2.gz CPTWQXIZWOYRLA-PBASOCQRSA-N 2 2 376.516 3.605 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)[C@H]2CCC3(C[C@@H]2F)OCCO3)CC[NH+]1Cc1ccccc1 ZINC000892006853 845394686 /nfs/dbraw/zinc/39/46/86/845394686.db2.gz CPTWQXIZWOYRLA-PBASOCQRSA-N 2 2 376.516 3.605 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)[C@H]2CCC3(C[C@@H]2F)OCCO3)CC[NH+]1Cc1ccccc1 ZINC000892006853 845394697 /nfs/dbraw/zinc/39/46/97/845394697.db2.gz CPTWQXIZWOYRLA-PBASOCQRSA-N 2 2 376.516 3.605 20 0 GHADLP Cc1ccc2ncc(C[N@@H+](C)C[C@]3(O)CC[NH+](Cc4ccccc4)C3)cc2c1 ZINC000411570420 845590401 /nfs/dbraw/zinc/59/04/01/845590401.db2.gz OKKSAQSPGGJWOU-XMMPIXPASA-N 2 2 375.516 3.612 20 0 GHADLP Cc1ccc2ncc(C[N@H+](C)C[C@]3(O)CC[NH+](Cc4ccccc4)C3)cc2c1 ZINC000411570420 845590418 /nfs/dbraw/zinc/59/04/18/845590418.db2.gz OKKSAQSPGGJWOU-XMMPIXPASA-N 2 2 375.516 3.612 20 0 GHADLP Cc1ccc2ncc(C[NH+](C)C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2c1 ZINC000411570420 845590425 /nfs/dbraw/zinc/59/04/25/845590425.db2.gz OKKSAQSPGGJWOU-XMMPIXPASA-N 2 2 375.516 3.612 20 0 GHADLP Cc1ccc2ncc(C[NH+](C)C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2c1 ZINC000411570420 845590433 /nfs/dbraw/zinc/59/04/33/845590433.db2.gz OKKSAQSPGGJWOU-XMMPIXPASA-N 2 2 375.516 3.612 20 0 GHADLP CN(C(=O)CC1(C(F)(F)F)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502530565 846164186 /nfs/dbraw/zinc/16/41/86/846164186.db2.gz XUSFOBZTJXVGQD-SJORKVTESA-N 2 2 389.506 3.515 20 0 GHADLP CN(C(=O)CC1(C(F)(F)F)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502530565 846164189 /nfs/dbraw/zinc/16/41/89/846164189.db2.gz XUSFOBZTJXVGQD-SJORKVTESA-N 2 2 389.506 3.515 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3ccnn3-c3ccc(F)cc3)[nH+]c2)CC1 ZINC000280130647 846309328 /nfs/dbraw/zinc/30/93/28/846309328.db2.gz DDFQMUCPRFDUNG-UHFFFAOYSA-N 2 2 394.498 3.549 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cnn(C2CCCC2)c1 ZINC000502696695 846358826 /nfs/dbraw/zinc/35/88/26/846358826.db2.gz LNDFDSNPVRHWCE-HXUWFJFHSA-N 2 2 381.568 3.861 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@H](C)c3c[nH]c4ccccc43)CC2)CC1 ZINC000422024075 846755497 /nfs/dbraw/zinc/75/54/97/846755497.db2.gz QUKLLEOTZSUBRH-LJQANCHMSA-N 2 2 396.579 3.680 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@H](C)c3c[nH]c4ccccc43)CC2)CC1 ZINC000422024075 846755507 /nfs/dbraw/zinc/75/55/07/846755507.db2.gz QUKLLEOTZSUBRH-LJQANCHMSA-N 2 2 396.579 3.680 20 0 GHADLP CCCc1cc(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)ccc1Cl ZINC000422017499 846770699 /nfs/dbraw/zinc/77/06/99/846770699.db2.gz JEUVRMCXAHATMC-UHFFFAOYSA-N 2 2 391.987 3.925 20 0 GHADLP CCCc1cc(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)ccc1Cl ZINC000422017499 846770707 /nfs/dbraw/zinc/77/07/07/846770707.db2.gz JEUVRMCXAHATMC-UHFFFAOYSA-N 2 2 391.987 3.925 20 0 GHADLP CCCCNc1ccccc1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422128637 846830911 /nfs/dbraw/zinc/83/09/11/846830911.db2.gz GJSOLMKYEITGBI-UHFFFAOYSA-N 2 2 386.584 3.531 20 0 GHADLP CCCCNc1ccccc1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422128637 846830917 /nfs/dbraw/zinc/83/09/17/846830917.db2.gz GJSOLMKYEITGBI-UHFFFAOYSA-N 2 2 386.584 3.531 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ncc(Br)s1 ZINC000272150837 847003647 /nfs/dbraw/zinc/00/36/47/847003647.db2.gz ALXAMCHMUDCIPO-DGCLKSJQSA-N 2 2 396.358 3.614 20 0 GHADLP COC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(F)c(F)c1 ZINC000272323005 847048513 /nfs/dbraw/zinc/04/85/13/847048513.db2.gz WKRZEVXUHRZPTN-FQEVSTJZSA-N 2 2 390.478 3.690 20 0 GHADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CCCCC1 ZINC000420365124 847140944 /nfs/dbraw/zinc/14/09/44/847140944.db2.gz RUXVCHMFKQOZNO-OAHLLOKOSA-N 2 2 377.838 3.795 20 0 GHADLP COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000481581066 861794161 /nfs/dbraw/zinc/79/41/61/861794161.db2.gz VPGLRAFCKPAOOD-NRFANRHFSA-N 2 2 386.561 3.642 20 0 GHADLP Cc1cc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)[nH+]1 ZINC000422199406 847453204 /nfs/dbraw/zinc/45/32/04/847453204.db2.gz DPKANUFAKUIFAA-SIKLNZKXSA-N 2 2 380.536 3.893 20 0 GHADLP Cc1cc(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)[nH+]1 ZINC000422199406 847453207 /nfs/dbraw/zinc/45/32/07/847453207.db2.gz DPKANUFAKUIFAA-SIKLNZKXSA-N 2 2 380.536 3.893 20 0 GHADLP c1ccc2sc(C3C[NH+](Cc4cccc(C[NH+]5CCOCC5)c4)C3)nc2c1 ZINC000420932508 847552988 /nfs/dbraw/zinc/55/29/88/847552988.db2.gz HJKVNOXOYYPIHU-UHFFFAOYSA-N 2 2 379.529 3.728 20 0 GHADLP c1cc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc(C[NH+]2CCOCC2)c1 ZINC000420935979 847555340 /nfs/dbraw/zinc/55/53/40/847555340.db2.gz KJMWUMGRWCHAFT-DEOSSOPVSA-N 2 2 394.515 3.531 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)c3ncc(-c4ccccc4)o3)CC2)CC1 ZINC000420984918 847591521 /nfs/dbraw/zinc/59/15/21/847591521.db2.gz VIRWCBHBEYTZLM-LJQANCHMSA-N 2 2 382.552 3.895 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3ncc(-c4ccccc4)o3)CC2)CC1 ZINC000420984918 847591529 /nfs/dbraw/zinc/59/15/29/847591529.db2.gz VIRWCBHBEYTZLM-LJQANCHMSA-N 2 2 382.552 3.895 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN([C@H](C)c3ncc(-c4ccccc4)o3)CC2)CC1 ZINC000420984918 847591537 /nfs/dbraw/zinc/59/15/37/847591537.db2.gz VIRWCBHBEYTZLM-LJQANCHMSA-N 2 2 382.552 3.895 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN([C@H](C)c3ncc(-c4ccccc4)o3)CC2)CC1 ZINC000420984918 847591547 /nfs/dbraw/zinc/59/15/47/847591547.db2.gz VIRWCBHBEYTZLM-LJQANCHMSA-N 2 2 382.552 3.895 20 0 GHADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380697 847654446 /nfs/dbraw/zinc/65/44/46/847654446.db2.gz VYBADWHXUJSKSL-CWVBCOCOSA-N 2 2 386.584 3.728 20 0 GHADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380697 847654452 /nfs/dbraw/zinc/65/44/52/847654452.db2.gz VYBADWHXUJSKSL-CWVBCOCOSA-N 2 2 386.584 3.728 20 0 GHADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435871 847694464 /nfs/dbraw/zinc/69/44/64/847694464.db2.gz INJMFPWXNGKMRF-AZUAARDMSA-N 2 2 380.536 3.618 20 0 GHADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435871 847694471 /nfs/dbraw/zinc/69/44/71/847694471.db2.gz INJMFPWXNGKMRF-AZUAARDMSA-N 2 2 380.536 3.618 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)[C@@H]2CCC[NH2+]2)cc1 ZINC000423070894 847962665 /nfs/dbraw/zinc/96/26/65/847962665.db2.gz GVWYEMPLQDBPPO-IMNFJDCFSA-N 2 2 382.548 3.708 20 0 GHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423088171 847973048 /nfs/dbraw/zinc/97/30/48/847973048.db2.gz RDMZLYMWUZECMN-IEXUWNMDSA-N 2 2 379.548 3.995 20 0 GHADLP CCN(CC)C(=O)[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000116387158 847985422 /nfs/dbraw/zinc/98/54/22/847985422.db2.gz YTLJKKKJWAADEG-HSZRJFAPSA-N 2 2 379.548 3.982 20 0 GHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000180004641 861899143 /nfs/dbraw/zinc/89/91/43/861899143.db2.gz RZDRWOUGZNDRDX-MRXNPFEDSA-N 2 2 391.357 3.799 20 0 GHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000180004641 861899161 /nfs/dbraw/zinc/89/91/61/861899161.db2.gz RZDRWOUGZNDRDX-MRXNPFEDSA-N 2 2 391.357 3.799 20 0 GHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000180004641 861899181 /nfs/dbraw/zinc/89/91/81/861899181.db2.gz RZDRWOUGZNDRDX-MRXNPFEDSA-N 2 2 391.357 3.799 20 0 GHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000180004641 861899200 /nfs/dbraw/zinc/89/92/00/861899200.db2.gz RZDRWOUGZNDRDX-MRXNPFEDSA-N 2 2 391.357 3.799 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cs2)c(OC)c1 ZINC000582968701 848786258 /nfs/dbraw/zinc/78/62/58/848786258.db2.gz UEVVWEACMNZGEA-ZNMIVQPWSA-N 2 2 375.538 3.633 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cs2)c(OC)c1 ZINC000582968701 848786260 /nfs/dbraw/zinc/78/62/60/848786260.db2.gz UEVVWEACMNZGEA-ZNMIVQPWSA-N 2 2 375.538 3.633 20 0 GHADLP Cc1ccccc1[C@H](CC(C)C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604199163 861966691 /nfs/dbraw/zinc/96/66/91/861966691.db2.gz KMEHTPKIFRAPRQ-KNQAVFIVSA-N 2 2 386.584 3.550 20 0 GHADLP Cc1ccccc1[C@H](CC(C)C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604199163 861966700 /nfs/dbraw/zinc/96/67/00/861966700.db2.gz KMEHTPKIFRAPRQ-KNQAVFIVSA-N 2 2 386.584 3.550 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000583220071 849364643 /nfs/dbraw/zinc/36/46/43/849364643.db2.gz FNJOLTILFZPUDT-RBUKOAKNSA-N 2 2 394.544 3.947 20 0 GHADLP CCCOc1ccc(Br)cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657752620 849631097 /nfs/dbraw/zinc/63/10/97/849631097.db2.gz SXCPUEOFCGHOSM-GOSISDBHSA-N 2 2 397.357 3.581 20 0 GHADLP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000162897533 849647656 /nfs/dbraw/zinc/64/76/56/849647656.db2.gz LLVBVVAWYSGGCN-LZCXECNNSA-N 2 2 380.573 3.502 20 0 GHADLP CCCC[N@H+](C)CC1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425184511 849762843 /nfs/dbraw/zinc/76/28/43/849762843.db2.gz DTFIDZOLXTXOLZ-OAQYLSRUSA-N 2 2 382.552 3.902 20 0 GHADLP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425184511 849762850 /nfs/dbraw/zinc/76/28/50/849762850.db2.gz DTFIDZOLXTXOLZ-OAQYLSRUSA-N 2 2 382.552 3.902 20 0 GHADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(Br)ccc1F ZINC000423243189 849825856 /nfs/dbraw/zinc/82/58/56/849825856.db2.gz ZLAVKBPFYKCWEN-LBPRGKRZSA-N 2 2 379.277 3.566 20 0 GHADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423397084 849901537 /nfs/dbraw/zinc/90/15/37/849901537.db2.gz OBKOMNNGQOTLFL-IERDGZPVSA-N 2 2 377.488 3.855 20 0 GHADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000522549897 862073474 /nfs/dbraw/zinc/07/34/74/862073474.db2.gz TUSXKRNTORDIGM-DEOSSOPVSA-N 2 2 393.575 3.868 20 0 GHADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000522549897 862073483 /nfs/dbraw/zinc/07/34/83/862073483.db2.gz TUSXKRNTORDIGM-DEOSSOPVSA-N 2 2 393.575 3.868 20 0 GHADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423531014 849959519 /nfs/dbraw/zinc/95/95/19/849959519.db2.gz PYJNIIGVJJBSMR-SIXWZSSISA-N 2 2 391.437 3.768 20 0 GHADLP CC(C)c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000514598758 850042134 /nfs/dbraw/zinc/04/21/34/850042134.db2.gz KLXJDXBCGXWHLY-OAQYLSRUSA-N 2 2 379.504 3.584 20 0 GHADLP C[NH+]1CCC2(CCC(NC(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)CC2)CC1 ZINC000908494826 850135940 /nfs/dbraw/zinc/13/59/40/850135940.db2.gz NSNVONWCMZMCJC-HXUWFJFHSA-N 2 2 380.536 3.703 20 0 GHADLP O=c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc(C2CC2)[nH]1 ZINC000514716632 850206615 /nfs/dbraw/zinc/20/66/15/850206615.db2.gz NMUNSOHHLRGMQB-QHCPKHFHSA-N 2 2 378.520 3.548 20 0 GHADLP O=c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc(C2CC2)[nH]1 ZINC000514716632 850206627 /nfs/dbraw/zinc/20/66/27/850206627.db2.gz NMUNSOHHLRGMQB-QHCPKHFHSA-N 2 2 378.520 3.548 20 0 GHADLP O=c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc(C2CC2)[nH]1 ZINC000514716632 850206643 /nfs/dbraw/zinc/20/66/43/850206643.db2.gz NMUNSOHHLRGMQB-QHCPKHFHSA-N 2 2 378.520 3.548 20 0 GHADLP O=c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc(C2CC2)[nH]1 ZINC000514716632 850206652 /nfs/dbraw/zinc/20/66/52/850206652.db2.gz NMUNSOHHLRGMQB-QHCPKHFHSA-N 2 2 378.520 3.548 20 0 GHADLP CC[C@H](C)[C@H]([NH2+]Cc1c[nH+]c(C)n1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000514735282 850237565 /nfs/dbraw/zinc/23/75/65/850237565.db2.gz YSGJGIAQEXTMSX-MBSDFSHPSA-N 2 2 396.579 3.714 20 0 GHADLP Cc1cc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)ccc1OCC[NH+](C)C ZINC000425308955 850261003 /nfs/dbraw/zinc/26/10/03/850261003.db2.gz GABBHCAQHPGOHW-HXUWFJFHSA-N 2 2 392.503 3.819 20 0 GHADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccco1 ZINC000425309025 850261423 /nfs/dbraw/zinc/26/14/23/850261423.db2.gz WHTZUFDIJGECMU-WDSOQIARSA-N 2 2 380.492 3.770 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC(C)(C)C(=O)OC(C)(C)C ZINC000424325805 850364708 /nfs/dbraw/zinc/36/47/08/850364708.db2.gz MXZYHLLEDHHVGX-PKOBYXMFSA-N 2 2 375.557 3.640 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC(C)(C)C(=O)OC(C)(C)C ZINC000424325805 850364713 /nfs/dbraw/zinc/36/47/13/850364713.db2.gz MXZYHLLEDHHVGX-PKOBYXMFSA-N 2 2 375.557 3.640 20 0 GHADLP C[C@H](c1cccc(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)c1)[NH+]1CCOCC1 ZINC000514860555 850397823 /nfs/dbraw/zinc/39/78/23/850397823.db2.gz MDYIVOCFVGYCGD-DYESRHJHSA-N 2 2 381.520 3.745 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424430346 850464380 /nfs/dbraw/zinc/46/43/80/850464380.db2.gz BNMDWPBHTSVXAE-UHFFFAOYSA-N 2 2 381.524 3.619 20 0 GHADLP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000424431660 850464843 /nfs/dbraw/zinc/46/48/43/850464843.db2.gz GGLATVMZKFLGDW-INIZCTEOSA-N 2 2 388.462 3.518 20 0 GHADLP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000424431660 850464847 /nfs/dbraw/zinc/46/48/47/850464847.db2.gz GGLATVMZKFLGDW-INIZCTEOSA-N 2 2 388.462 3.518 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1cccc(OC(F)F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435437044 850526566 /nfs/dbraw/zinc/52/65/66/850526566.db2.gz IJWFHPBIWZQORX-GOSISDBHSA-N 2 2 390.478 3.649 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1cccc(OC(F)F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435437044 850526571 /nfs/dbraw/zinc/52/65/71/850526571.db2.gz IJWFHPBIWZQORX-GOSISDBHSA-N 2 2 390.478 3.649 20 0 GHADLP c1cc(C[N@H+](Cc2nc(-c3ccccc3)no2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435696311 850778005 /nfs/dbraw/zinc/77/80/05/850778005.db2.gz PKUCNDQCTOFHBM-SFHVURJKSA-N 2 2 380.517 3.942 20 0 GHADLP c1cc(C[N@@H+](Cc2nc(-c3ccccc3)no2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435696311 850778010 /nfs/dbraw/zinc/77/80/10/850778010.db2.gz PKUCNDQCTOFHBM-SFHVURJKSA-N 2 2 380.517 3.942 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000515344447 850927835 /nfs/dbraw/zinc/92/78/35/850927835.db2.gz IUHZKPXQKRIJJK-LFUKPOHLSA-N 2 2 377.492 3.612 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000515344447 850927840 /nfs/dbraw/zinc/92/78/40/850927840.db2.gz IUHZKPXQKRIJJK-LFUKPOHLSA-N 2 2 377.492 3.612 20 0 GHADLP CC(C)(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3CCC[NH+]3Cc3ccccc3)sc2C1 ZINC000425085711 851182875 /nfs/dbraw/zinc/18/28/75/851182875.db2.gz SQOWOOFKSLCNLP-GOSISDBHSA-N 2 2 398.576 3.903 20 0 GHADLP CC(C)(C)[N@H+]1CCc2nc(NC(=O)[C@H]3CCC[NH+]3Cc3ccccc3)sc2C1 ZINC000425085711 851182879 /nfs/dbraw/zinc/18/28/79/851182879.db2.gz SQOWOOFKSLCNLP-GOSISDBHSA-N 2 2 398.576 3.903 20 0 GHADLP CC(C)(C)[NH+]1CCc2nc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)sc2C1 ZINC000425085711 851182888 /nfs/dbraw/zinc/18/28/88/851182888.db2.gz SQOWOOFKSLCNLP-GOSISDBHSA-N 2 2 398.576 3.903 20 0 GHADLP CC(C)(C)[NH+]1CCc2nc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)sc2C1 ZINC000425085711 851182894 /nfs/dbraw/zinc/18/28/94/851182894.db2.gz SQOWOOFKSLCNLP-GOSISDBHSA-N 2 2 398.576 3.903 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(c4ccccc4)CCCCCC3)C2)CC1 ZINC000625520699 862220515 /nfs/dbraw/zinc/22/05/15/862220515.db2.gz WFTQIBFDKWDXFY-NRFANRHFSA-N 2 2 383.580 3.563 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(c4ccccc4)CCCCCC3)C2)CC1 ZINC000625520699 862220532 /nfs/dbraw/zinc/22/05/32/862220532.db2.gz WFTQIBFDKWDXFY-NRFANRHFSA-N 2 2 383.580 3.563 20 0 GHADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc2c(c1)CCCC2 ZINC000111244159 851581182 /nfs/dbraw/zinc/58/11/82/851581182.db2.gz FRYNAKASOXFUEC-QZTJIDSGSA-N 2 2 380.536 3.665 20 0 GHADLP CC1(C)C[N@H+](CCOCC[NH+]2CC(C)(C)[C@H]2c2cccnc2)[C@H]1c1cccnc1 ZINC000664825033 851597056 /nfs/dbraw/zinc/59/70/56/851597056.db2.gz ZSRYVKPPTBXYCP-SZPZYZBQSA-N 2 2 394.563 3.959 20 0 GHADLP CC1(C)C[N@@H+](CCOCC[NH+]2CC(C)(C)[C@H]2c2cccnc2)[C@H]1c1cccnc1 ZINC000664825033 851597064 /nfs/dbraw/zinc/59/70/64/851597064.db2.gz ZSRYVKPPTBXYCP-SZPZYZBQSA-N 2 2 394.563 3.959 20 0 GHADLP CC1(C)C[NH+](CCOCC[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)[C@H]1c1cccnc1 ZINC000664825033 851597073 /nfs/dbraw/zinc/59/70/73/851597073.db2.gz ZSRYVKPPTBXYCP-SZPZYZBQSA-N 2 2 394.563 3.959 20 0 GHADLP CC1(C)C[NH+](CCOCC[N@H+]2CC(C)(C)[C@H]2c2cccnc2)[C@H]1c1cccnc1 ZINC000664825033 851597085 /nfs/dbraw/zinc/59/70/85/851597085.db2.gz ZSRYVKPPTBXYCP-SZPZYZBQSA-N 2 2 394.563 3.959 20 0 GHADLP COCc1noc([C@H](C)[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664836986 851875965 /nfs/dbraw/zinc/87/59/65/851875965.db2.gz YNDRXPPAZUTUIY-LAUBAEHRSA-N 2 2 398.551 3.900 20 0 GHADLP COCc1noc([C@H](C)[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664836986 851875969 /nfs/dbraw/zinc/87/59/69/851875969.db2.gz YNDRXPPAZUTUIY-LAUBAEHRSA-N 2 2 398.551 3.900 20 0 GHADLP C[N@H+](Cc1ccc(Br)s1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940824 851955447 /nfs/dbraw/zinc/95/54/47/851955447.db2.gz AVPWUGRIVLZYKT-SFHVURJKSA-N 2 2 395.366 3.579 20 0 GHADLP C[N@@H+](Cc1ccc(Br)s1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940824 851955449 /nfs/dbraw/zinc/95/54/49/851955449.db2.gz AVPWUGRIVLZYKT-SFHVURJKSA-N 2 2 395.366 3.579 20 0 GHADLP C[NH+](Cc1ccc(Br)s1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425940824 851955452 /nfs/dbraw/zinc/95/54/52/851955452.db2.gz AVPWUGRIVLZYKT-SFHVURJKSA-N 2 2 395.366 3.579 20 0 GHADLP C[NH+](Cc1ccc(Br)s1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425940824 851955453 /nfs/dbraw/zinc/95/54/53/851955453.db2.gz AVPWUGRIVLZYKT-SFHVURJKSA-N 2 2 395.366 3.579 20 0 GHADLP C[N@H+](Cc1cc(Br)cs1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425946791 852017707 /nfs/dbraw/zinc/01/77/07/852017707.db2.gz XRMLKQPSYDABTR-GOSISDBHSA-N 2 2 395.366 3.579 20 0 GHADLP C[N@@H+](Cc1cc(Br)cs1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425946791 852017714 /nfs/dbraw/zinc/01/77/14/852017714.db2.gz XRMLKQPSYDABTR-GOSISDBHSA-N 2 2 395.366 3.579 20 0 GHADLP C[NH+](Cc1cc(Br)cs1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425946791 852017719 /nfs/dbraw/zinc/01/77/19/852017719.db2.gz XRMLKQPSYDABTR-GOSISDBHSA-N 2 2 395.366 3.579 20 0 GHADLP C[NH+](Cc1cc(Br)cs1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425946791 852017727 /nfs/dbraw/zinc/01/77/27/852017727.db2.gz XRMLKQPSYDABTR-GOSISDBHSA-N 2 2 395.366 3.579 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000438183459 852099176 /nfs/dbraw/zinc/09/91/76/852099176.db2.gz JMVJDXWYBCCSHH-UTKZUKDTSA-N 2 2 382.504 3.625 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000438183459 852099181 /nfs/dbraw/zinc/09/91/81/852099181.db2.gz JMVJDXWYBCCSHH-UTKZUKDTSA-N 2 2 382.504 3.625 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000489367754 852256348 /nfs/dbraw/zinc/25/63/48/852256348.db2.gz WMQAEUFLNUJVKK-QKNQBKEWSA-N 2 2 386.584 3.703 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000489367754 852256353 /nfs/dbraw/zinc/25/63/53/852256353.db2.gz WMQAEUFLNUJVKK-QKNQBKEWSA-N 2 2 386.584 3.703 20 0 GHADLP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329824693 862348695 /nfs/dbraw/zinc/34/86/95/862348695.db2.gz HWXKRCVTDRJGIJ-OAHLLOKOSA-N 2 2 387.553 3.800 20 0 GHADLP C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1 ZINC000425671062 852588787 /nfs/dbraw/zinc/58/87/87/852588787.db2.gz HEHGHYCBOQKADV-QGZVFWFLSA-N 2 2 381.524 3.834 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CC[C@]4(C3)CCc3ccccc3O4)C2)cc1 ZINC000516515051 852670003 /nfs/dbraw/zinc/67/00/03/852670003.db2.gz IUTDAGXDDZXACN-NOZRDPDXSA-N 2 2 392.543 3.747 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CC[C@]4(C3)CCc3ccccc3O4)C2)cc1 ZINC000516515051 852670013 /nfs/dbraw/zinc/67/00/13/852670013.db2.gz IUTDAGXDDZXACN-NOZRDPDXSA-N 2 2 392.543 3.747 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CC[C@]4(C3)CCc3ccccc3O4)C2)cc1 ZINC000516515051 852670022 /nfs/dbraw/zinc/67/00/22/852670022.db2.gz IUTDAGXDDZXACN-NOZRDPDXSA-N 2 2 392.543 3.747 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CC[C@]4(C3)CCc3ccccc3O4)C2)cc1 ZINC000516515051 852670027 /nfs/dbraw/zinc/67/00/27/852670027.db2.gz IUTDAGXDDZXACN-NOZRDPDXSA-N 2 2 392.543 3.747 20 0 GHADLP C[C@@H]1[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000489956787 852672508 /nfs/dbraw/zinc/67/25/08/852672508.db2.gz NPDQEFMFEUFHNJ-PXDATVDWSA-N 2 2 377.576 3.946 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000507213612 852676823 /nfs/dbraw/zinc/67/68/23/852676823.db2.gz PAUKHYAVRNZDJT-OHRKKDJYSA-N 2 2 384.351 3.728 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000507213612 852676829 /nfs/dbraw/zinc/67/68/29/852676829.db2.gz PAUKHYAVRNZDJT-OHRKKDJYSA-N 2 2 384.351 3.728 20 0 GHADLP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000490055379 852738771 /nfs/dbraw/zinc/73/87/71/852738771.db2.gz BVQJBJALAYDERR-IBGZPJMESA-N 2 2 378.442 3.526 20 0 GHADLP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000490055379 852738780 /nfs/dbraw/zinc/73/87/80/852738780.db2.gz BVQJBJALAYDERR-IBGZPJMESA-N 2 2 378.442 3.526 20 0 GHADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)CC3 ZINC000490111436 852759648 /nfs/dbraw/zinc/75/96/48/852759648.db2.gz GPVSAWDUSUDFSG-NRFANRHFSA-N 2 2 389.543 3.956 20 0 GHADLP Cc1ccc([C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c2ccccc2)cc1 ZINC000490145294 852791005 /nfs/dbraw/zinc/79/10/05/852791005.db2.gz SPEJXZFLVFDKKR-PKTZIBPZSA-N 2 2 379.548 3.617 20 0 GHADLP Cc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c2ccccc2)cc1 ZINC000490145294 852791009 /nfs/dbraw/zinc/79/10/09/852791009.db2.gz SPEJXZFLVFDKKR-PKTZIBPZSA-N 2 2 379.548 3.617 20 0 GHADLP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000427330194 852988128 /nfs/dbraw/zinc/98/81/28/852988128.db2.gz MMWAVIJIIWFNMO-QAPCUYQASA-N 2 2 381.923 3.512 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000516876507 853106831 /nfs/dbraw/zinc/10/68/31/853106831.db2.gz ZPJHICQHZMWIGB-RTBURBONSA-N 2 2 395.547 3.652 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3c(Cl)cc(Cl)cc3N(C)C)C2)CC1 ZINC000518449223 853353015 /nfs/dbraw/zinc/35/30/15/853353015.db2.gz HTZZQKKEVIBUKK-KRWDZBQOSA-N 2 2 399.410 3.660 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(Cl)cc(Cl)cc3N(C)C)C2)CC1 ZINC000518449223 853353024 /nfs/dbraw/zinc/35/30/24/853353024.db2.gz HTZZQKKEVIBUKK-KRWDZBQOSA-N 2 2 399.410 3.660 20 0 GHADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@H]3CCN(c4ccccc4)C3)CCCC2)no1 ZINC000638603282 853455443 /nfs/dbraw/zinc/45/54/43/853455443.db2.gz BLHAVPJDVWPHPA-LJQANCHMSA-N 2 2 397.567 3.797 20 0 GHADLP CCCc1noc(C[N@H+](CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000440692541 853527889 /nfs/dbraw/zinc/52/78/89/853527889.db2.gz KXSFTWUWYMAZJN-UHFFFAOYSA-N 2 2 386.544 3.735 20 0 GHADLP CCCc1noc(C[N@@H+](CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000440692541 853527898 /nfs/dbraw/zinc/52/78/98/853527898.db2.gz KXSFTWUWYMAZJN-UHFFFAOYSA-N 2 2 386.544 3.735 20 0 GHADLP CCCCCNC(=O)C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440694528 853534729 /nfs/dbraw/zinc/53/47/29/853534729.db2.gz RDOGPOZXGIHYQV-UHFFFAOYSA-N 2 2 389.588 3.506 20 0 GHADLP CCCCCNC(=O)C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440694528 853534731 /nfs/dbraw/zinc/53/47/31/853534731.db2.gz RDOGPOZXGIHYQV-UHFFFAOYSA-N 2 2 389.588 3.506 20 0 GHADLP CC[C@@H](c1ccccc1)[N@H+](CC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000519909286 853600831 /nfs/dbraw/zinc/60/08/31/853600831.db2.gz QIGNDTYYCWWIJH-NRFANRHFSA-N 2 2 380.536 3.594 20 0 GHADLP CC[C@@H](c1ccccc1)[N@@H+](CC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000519909286 853600839 /nfs/dbraw/zinc/60/08/39/853600839.db2.gz QIGNDTYYCWWIJH-NRFANRHFSA-N 2 2 380.536 3.594 20 0 GHADLP Cc1ccc2cc([C@H](C)[NH2+]Cc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)oc2c1 ZINC000425928888 853649048 /nfs/dbraw/zinc/64/90/48/853649048.db2.gz TVNGWUVRTNNTMC-SFHVURJKSA-N 2 2 391.515 3.980 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000440844649 853689658 /nfs/dbraw/zinc/68/96/58/853689658.db2.gz NASUHXRJOAVXBB-VCOUNFBDSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000440844649 853689662 /nfs/dbraw/zinc/68/96/62/853689662.db2.gz NASUHXRJOAVXBB-VCOUNFBDSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc2cc(C[N@@H+](C)C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)ccc2n1 ZINC000437969920 853728995 /nfs/dbraw/zinc/72/89/95/853728995.db2.gz PCTVLPUTGUWADS-DEOSSOPVSA-N 2 2 375.516 3.612 20 0 GHADLP Cc1ccc2cc(C[N@H+](C)C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)ccc2n1 ZINC000437969920 853728996 /nfs/dbraw/zinc/72/89/96/853728996.db2.gz PCTVLPUTGUWADS-DEOSSOPVSA-N 2 2 375.516 3.612 20 0 GHADLP Cc1ccc2cc(C[NH+](C)C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)ccc2n1 ZINC000437969920 853729001 /nfs/dbraw/zinc/72/90/01/853729001.db2.gz PCTVLPUTGUWADS-DEOSSOPVSA-N 2 2 375.516 3.612 20 0 GHADLP Cc1ccc2cc(C[NH+](C)C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)ccc2n1 ZINC000437969920 853729007 /nfs/dbraw/zinc/72/90/07/853729007.db2.gz PCTVLPUTGUWADS-DEOSSOPVSA-N 2 2 375.516 3.612 20 0 GHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]([C@@H](C)c2ccco2)C2CC2)CC1 ZINC000440898532 853730420 /nfs/dbraw/zinc/73/04/20/853730420.db2.gz XVFUBNNMWSKUDO-FQEVSTJZSA-N 2 2 395.547 3.848 20 0 GHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]([C@@H](C)c2ccco2)C2CC2)CC1 ZINC000440898532 853730433 /nfs/dbraw/zinc/73/04/33/853730433.db2.gz XVFUBNNMWSKUDO-FQEVSTJZSA-N 2 2 395.547 3.848 20 0 GHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]([C@@H](C)c2ccco2)C2CC2)CC1 ZINC000440898532 853730442 /nfs/dbraw/zinc/73/04/42/853730442.db2.gz XVFUBNNMWSKUDO-FQEVSTJZSA-N 2 2 395.547 3.848 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]([C@@H](C)c2ccco2)C2CC2)CC1 ZINC000440898532 853730450 /nfs/dbraw/zinc/73/04/50/853730450.db2.gz XVFUBNNMWSKUDO-FQEVSTJZSA-N 2 2 395.547 3.848 20 0 GHADLP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000556051596 862499087 /nfs/dbraw/zinc/49/90/87/862499087.db2.gz GBNQLHNKSUBPIH-DSITVLBTSA-N 2 2 393.575 3.793 20 0 GHADLP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000556051596 862499099 /nfs/dbraw/zinc/49/90/99/862499099.db2.gz GBNQLHNKSUBPIH-DSITVLBTSA-N 2 2 393.575 3.793 20 0 GHADLP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000623902421 862505339 /nfs/dbraw/zinc/50/53/39/862505339.db2.gz HQVAXCKNSFISEF-IAQYHMDHSA-N 2 2 381.895 3.712 20 0 GHADLP COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441383335 854144291 /nfs/dbraw/zinc/14/42/91/854144291.db2.gz OTGOXLFYTONNOS-XMSQKQJNSA-N 2 2 392.503 3.867 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2cccc(F)c2)c(C)c1 ZINC000441378608 854162919 /nfs/dbraw/zinc/16/29/19/854162919.db2.gz HYACXQHBNSGZKR-UWJYYQICSA-N 2 2 380.467 3.997 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NCC2CCCCC2)c(C)c1 ZINC000441377738 854198319 /nfs/dbraw/zinc/19/83/19/854198319.db2.gz AVVMHFPUXZTSFI-UGKGYDQZSA-N 2 2 382.552 3.916 20 0 GHADLP Cc1nc(-c2ccc(C[NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)s2)cs1 ZINC000588690299 854360007 /nfs/dbraw/zinc/36/00/07/854360007.db2.gz WFJHMZKOZBJZLN-KRWDZBQOSA-N 2 2 387.574 3.763 20 0 GHADLP Cc1nc(-c2ccc(C[NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)s2)cs1 ZINC000588690299 854360012 /nfs/dbraw/zinc/36/00/12/854360012.db2.gz WFJHMZKOZBJZLN-KRWDZBQOSA-N 2 2 387.574 3.763 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1Oc1ccccc1 ZINC000112921623 854361879 /nfs/dbraw/zinc/36/18/79/854361879.db2.gz OYDWNMJTNVASGU-UHFFFAOYSA-N 2 2 381.520 3.577 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1Oc1ccccc1 ZINC000112921623 854361885 /nfs/dbraw/zinc/36/18/85/854361885.db2.gz OYDWNMJTNVASGU-UHFFFAOYSA-N 2 2 381.520 3.577 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000550396219 854451100 /nfs/dbraw/zinc/45/11/00/854451100.db2.gz PKUPUFPCUKJQRB-RBUKOAKNSA-N 2 2 386.858 3.692 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000550396219 854451106 /nfs/dbraw/zinc/45/11/06/854451106.db2.gz PKUPUFPCUKJQRB-RBUKOAKNSA-N 2 2 386.858 3.692 20 0 GHADLP C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000156957077 854535701 /nfs/dbraw/zinc/53/57/01/854535701.db2.gz QWPLBKHZBMKXKV-IBGZPJMESA-N 2 2 398.463 3.990 20 0 GHADLP C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000156957077 854535710 /nfs/dbraw/zinc/53/57/10/854535710.db2.gz QWPLBKHZBMKXKV-IBGZPJMESA-N 2 2 398.463 3.990 20 0 GHADLP C[NH+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000156957077 854535713 /nfs/dbraw/zinc/53/57/13/854535713.db2.gz QWPLBKHZBMKXKV-IBGZPJMESA-N 2 2 398.463 3.990 20 0 GHADLP C[NH+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000156957077 854535720 /nfs/dbraw/zinc/53/57/20/854535720.db2.gz QWPLBKHZBMKXKV-IBGZPJMESA-N 2 2 398.463 3.990 20 0 GHADLP C[C@H](C[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1)Cn1cc[nH+]c1 ZINC000113329696 854797224 /nfs/dbraw/zinc/79/72/24/854797224.db2.gz XNIPRPOSFQNWAR-CQSZACIVSA-N 2 2 376.913 3.998 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3ccccc3C[N@H+]3CCCC[C@@H]3C)[nH+]c12 ZINC000624580014 854917931 /nfs/dbraw/zinc/91/79/31/854917931.db2.gz GZHHUXPQZWJODJ-IBGZPJMESA-N 2 2 390.531 3.876 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3ccccc3C[N@@H+]3CCCC[C@@H]3C)[nH+]c12 ZINC000624580014 854917937 /nfs/dbraw/zinc/91/79/37/854917937.db2.gz GZHHUXPQZWJODJ-IBGZPJMESA-N 2 2 390.531 3.876 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000482032684 862626821 /nfs/dbraw/zinc/62/68/21/862626821.db2.gz PQLUZQSVAGGDIC-DLBZAZTESA-N 2 2 384.351 3.513 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000482032684 862626830 /nfs/dbraw/zinc/62/68/30/862626830.db2.gz PQLUZQSVAGGDIC-DLBZAZTESA-N 2 2 384.351 3.513 20 0 GHADLP CC[N@@H+](Cc1cc(OC)c(OC)cc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000572847027 855040854 /nfs/dbraw/zinc/04/08/54/855040854.db2.gz PRDQFOBHBBPVGP-UHFFFAOYSA-N 2 2 387.499 3.976 20 0 GHADLP CC[N@H+](Cc1cc(OC)c(OC)cc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000572847027 855040859 /nfs/dbraw/zinc/04/08/59/855040859.db2.gz PRDQFOBHBBPVGP-UHFFFAOYSA-N 2 2 387.499 3.976 20 0 GHADLP COc1cccc([C@H]2[C@H](NC(=O)c3sccc3C[NH+](C)C)CC[N@@H+]2C2CC2)c1 ZINC000482051488 862643654 /nfs/dbraw/zinc/64/36/54/862643654.db2.gz RJSYHOVGKZJKHI-UXHICEINSA-N 2 2 399.560 3.526 20 0 GHADLP COc1cccc([C@H]2[C@H](NC(=O)c3sccc3C[NH+](C)C)CC[N@H+]2C2CC2)c1 ZINC000482051488 862643659 /nfs/dbraw/zinc/64/36/59/862643659.db2.gz RJSYHOVGKZJKHI-UXHICEINSA-N 2 2 399.560 3.526 20 0 GHADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000921686794 855332564 /nfs/dbraw/zinc/33/25/64/855332564.db2.gz YLTYPBXBMUQCOT-RTBURBONSA-N 2 2 397.604 3.501 20 0 GHADLP Cc1cnc(Cl)c(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000921689716 855393809 /nfs/dbraw/zinc/39/38/09/855393809.db2.gz KPPZOMJLZAAJJY-OAHLLOKOSA-N 2 2 376.907 3.785 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190649776 855592330 /nfs/dbraw/zinc/59/23/30/855592330.db2.gz ONPVWGAYGQPLOG-MOPGFXCFSA-N 2 2 389.588 3.520 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000190649776 855592338 /nfs/dbraw/zinc/59/23/38/855592338.db2.gz ONPVWGAYGQPLOG-MOPGFXCFSA-N 2 2 389.588 3.520 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000591083225 855752532 /nfs/dbraw/zinc/75/25/32/855752532.db2.gz RSVHKSBFQVXJFP-GOTSBHOMSA-N 2 2 388.515 3.620 20 0 GHADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000591083225 855752542 /nfs/dbraw/zinc/75/25/42/855752542.db2.gz RSVHKSBFQVXJFP-GOTSBHOMSA-N 2 2 388.515 3.620 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083139 855752810 /nfs/dbraw/zinc/75/28/10/855752810.db2.gz PJMCWGKMSLXRFW-KNQAVFIVSA-N 2 2 388.515 3.814 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083139 855752814 /nfs/dbraw/zinc/75/28/14/855752814.db2.gz PJMCWGKMSLXRFW-KNQAVFIVSA-N 2 2 388.515 3.814 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591457682 855999073 /nfs/dbraw/zinc/99/90/73/855999073.db2.gz FWKUGNANBXCDHM-WOJBJXKFSA-N 2 2 396.535 3.614 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591457682 855999077 /nfs/dbraw/zinc/99/90/77/855999077.db2.gz FWKUGNANBXCDHM-WOJBJXKFSA-N 2 2 396.535 3.614 20 0 GHADLP COc1ccc(NC(=O)C[C@@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000895110303 856091107 /nfs/dbraw/zinc/09/11/07/856091107.db2.gz HYCRDISCPFEMGX-ZHALLVOQSA-N 2 2 382.508 3.584 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674362698 856212788 /nfs/dbraw/zinc/21/27/88/856212788.db2.gz AEORDCBFMGYIJG-GOSISDBHSA-N 2 2 396.535 3.683 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674362698 856212799 /nfs/dbraw/zinc/21/27/99/856212799.db2.gz AEORDCBFMGYIJG-GOSISDBHSA-N 2 2 396.535 3.683 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674362698 856212810 /nfs/dbraw/zinc/21/28/10/856212810.db2.gz AEORDCBFMGYIJG-GOSISDBHSA-N 2 2 396.535 3.683 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674362698 856212820 /nfs/dbraw/zinc/21/28/20/856212820.db2.gz AEORDCBFMGYIJG-GOSISDBHSA-N 2 2 396.535 3.683 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(CC)c1nc2ccccc2s1 ZINC000429229927 856320509 /nfs/dbraw/zinc/32/05/09/856320509.db2.gz WYXSSJGOWBTCEE-UHFFFAOYSA-N 2 2 399.564 3.820 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(CC)c1nc2ccccc2s1 ZINC000429229927 856320515 /nfs/dbraw/zinc/32/05/15/856320515.db2.gz WYXSSJGOWBTCEE-UHFFFAOYSA-N 2 2 399.564 3.820 20 0 GHADLP COc1ccc([C@@H]2C[C@@H](N(c3cc[nH+]c(OC)c3)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168677943 856624289 /nfs/dbraw/zinc/62/42/89/856624289.db2.gz RNULZLQIHZPPLI-UNMCSNQZSA-N 2 2 397.519 3.578 20 0 GHADLP Fc1cc(C[NH2+]Cc2ccnn2CCc2ccccc2)ccc1-n1cc[nH+]c1 ZINC000674881864 856883140 /nfs/dbraw/zinc/88/31/40/856883140.db2.gz YAIWDUKVSITQTB-UHFFFAOYSA-N 2 2 375.451 3.740 20 0 GHADLP COC(=O)c1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)cs1 ZINC000593030344 857185095 /nfs/dbraw/zinc/18/50/95/857185095.db2.gz KUHUOACKPZNBKN-OAHLLOKOSA-N 2 2 378.563 3.859 20 0 GHADLP COC(=O)c1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)cs1 ZINC000593030344 857185099 /nfs/dbraw/zinc/18/50/99/857185099.db2.gz KUHUOACKPZNBKN-OAHLLOKOSA-N 2 2 378.563 3.859 20 0 GHADLP COC(=O)c1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)cs1 ZINC000593030344 857185104 /nfs/dbraw/zinc/18/51/04/857185104.db2.gz KUHUOACKPZNBKN-OAHLLOKOSA-N 2 2 378.563 3.859 20 0 GHADLP COC(=O)c1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cs1 ZINC000593030344 857185109 /nfs/dbraw/zinc/18/51/09/857185109.db2.gz KUHUOACKPZNBKN-OAHLLOKOSA-N 2 2 378.563 3.859 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1F ZINC000665258897 857190424 /nfs/dbraw/zinc/19/04/24/857190424.db2.gz OKVGLUALLNHQJF-XQAUZQBESA-N 2 2 397.494 3.515 20 0 GHADLP Brc1ccccc1C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000658294305 857258253 /nfs/dbraw/zinc/25/82/53/857258253.db2.gz GYPCSUHUVOVJFC-UYAOXDASSA-N 2 2 393.369 3.613 20 0 GHADLP Fc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1F ZINC000282203196 857296032 /nfs/dbraw/zinc/29/60/32/857296032.db2.gz XHZHBFCUDNDLGR-OAHLLOKOSA-N 2 2 399.445 3.927 20 0 GHADLP Fc1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1F ZINC000282203196 857296045 /nfs/dbraw/zinc/29/60/45/857296045.db2.gz XHZHBFCUDNDLGR-OAHLLOKOSA-N 2 2 399.445 3.927 20 0 GHADLP O[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000766127969 857342720 /nfs/dbraw/zinc/34/27/20/857342720.db2.gz GVGWVTUSTJPWRH-WWPVKYPJSA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000766127969 857342727 /nfs/dbraw/zinc/34/27/27/857342727.db2.gz GVGWVTUSTJPWRH-WWPVKYPJSA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000766127969 857342733 /nfs/dbraw/zinc/34/27/33/857342733.db2.gz GVGWVTUSTJPWRH-WWPVKYPJSA-N 2 2 386.486 3.985 20 0 GHADLP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000766127969 857342747 /nfs/dbraw/zinc/34/27/47/857342747.db2.gz GVGWVTUSTJPWRH-WWPVKYPJSA-N 2 2 386.486 3.985 20 0 GHADLP CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000907124382 857484082 /nfs/dbraw/zinc/48/40/82/857484082.db2.gz PSJQKUBKOVILNN-DHIUTWEWSA-N 2 2 399.579 3.607 20 0 GHADLP CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000907124382 857484084 /nfs/dbraw/zinc/48/40/84/857484084.db2.gz PSJQKUBKOVILNN-DHIUTWEWSA-N 2 2 399.579 3.607 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000675890549 857649932 /nfs/dbraw/zinc/64/99/32/857649932.db2.gz ODFFKLFAMSDFMY-TZIWHRDSSA-N 2 2 389.503 3.853 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000675890549 857649935 /nfs/dbraw/zinc/64/99/35/857649935.db2.gz ODFFKLFAMSDFMY-TZIWHRDSSA-N 2 2 389.503 3.853 20 0 GHADLP Brc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675883094 857660468 /nfs/dbraw/zinc/66/04/68/857660468.db2.gz WJMMRHRACKUUSJ-CRAIPNDOSA-N 2 2 395.341 3.506 20 0 GHADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000675970270 857688656 /nfs/dbraw/zinc/68/86/56/857688656.db2.gz BPAUPWDVSTXBOX-RXVVDRJESA-N 2 2 384.495 3.702 20 0 GHADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000675970270 857688663 /nfs/dbraw/zinc/68/86/63/857688663.db2.gz BPAUPWDVSTXBOX-RXVVDRJESA-N 2 2 384.495 3.702 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000498424941 857693336 /nfs/dbraw/zinc/69/33/36/857693336.db2.gz WHDLOVRTBXTCAU-UHFFFAOYSA-N 2 2 384.568 3.563 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000498424941 857693341 /nfs/dbraw/zinc/69/33/41/857693341.db2.gz WHDLOVRTBXTCAU-UHFFFAOYSA-N 2 2 384.568 3.563 20 0 GHADLP C[C@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)[NH+]1CCC(C)CC1 ZINC000521465642 858022255 /nfs/dbraw/zinc/02/22/55/858022255.db2.gz XEKULQXBFCANTB-DLBZAZTESA-N 2 2 393.601 3.617 20 0 GHADLP C[C@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)[NH+]1CCC(C)CC1 ZINC000521465642 858022262 /nfs/dbraw/zinc/02/22/62/858022262.db2.gz XEKULQXBFCANTB-DLBZAZTESA-N 2 2 393.601 3.617 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000765973783 858178077 /nfs/dbraw/zinc/17/80/77/858178077.db2.gz FQZMQHPDIDRYKD-HNNXBMFYSA-N 2 2 379.508 3.654 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC[C@@H]21 ZINC000428265335 858240035 /nfs/dbraw/zinc/24/00/35/858240035.db2.gz HVSZCHKCHCUADC-QUCCMNQESA-N 2 2 392.469 3.866 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC[C@@H]21 ZINC000428265335 858240041 /nfs/dbraw/zinc/24/00/41/858240041.db2.gz HVSZCHKCHCUADC-QUCCMNQESA-N 2 2 392.469 3.866 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC[C@@H]21 ZINC000428265335 858240048 /nfs/dbraw/zinc/24/00/48/858240048.db2.gz HVSZCHKCHCUADC-QUCCMNQESA-N 2 2 392.469 3.866 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC[C@@H]21 ZINC000428265335 858240054 /nfs/dbraw/zinc/24/00/54/858240054.db2.gz HVSZCHKCHCUADC-QUCCMNQESA-N 2 2 392.469 3.866 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000521872241 858396801 /nfs/dbraw/zinc/39/68/01/858396801.db2.gz CHGRYPGCPLSRIX-SFHVURJKSA-N 2 2 378.451 3.862 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000521872241 858396803 /nfs/dbraw/zinc/39/68/03/858396803.db2.gz CHGRYPGCPLSRIX-SFHVURJKSA-N 2 2 378.451 3.862 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)n2C ZINC000521941618 858471908 /nfs/dbraw/zinc/47/19/08/858471908.db2.gz AFEXDJREHBZLHI-PKOBYXMFSA-N 2 2 378.520 3.582 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)n2C ZINC000521941618 858471915 /nfs/dbraw/zinc/47/19/15/858471915.db2.gz AFEXDJREHBZLHI-PKOBYXMFSA-N 2 2 378.520 3.582 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C1(CC(=O)OC(C)(C)C)CCOCC1 ZINC000595550136 858563258 /nfs/dbraw/zinc/56/32/58/858563258.db2.gz LKDTYBNAQQUMBO-UHFFFAOYSA-N 2 2 385.508 3.551 20 0 GHADLP O=C(NCCCCC[NH+]1CCCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000522074421 858594012 /nfs/dbraw/zinc/59/40/12/858594012.db2.gz IMCCHYXBPZZPFP-UHFFFAOYSA-N 2 2 393.601 3.907 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000171120369 863065104 /nfs/dbraw/zinc/06/51/04/863065104.db2.gz PXHHZDBQMVINTH-YVHKJVDXSA-N 2 2 383.511 3.620 20 0 GHADLP CC[C@@H](NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1csc(C)c1 ZINC000645897312 858892344 /nfs/dbraw/zinc/89/23/44/858892344.db2.gz DGTIGGSBPUMGJV-HXUWFJFHSA-N 2 2 392.613 3.709 20 0 GHADLP CC[C@@H](NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1csc(C)c1 ZINC000645897312 858892356 /nfs/dbraw/zinc/89/23/56/858892356.db2.gz DGTIGGSBPUMGJV-HXUWFJFHSA-N 2 2 392.613 3.709 20 0 GHADLP COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429681958 859011180 /nfs/dbraw/zinc/01/11/80/859011180.db2.gz XCGNLVYYHBPGGH-ZEQRLZLVSA-N 2 2 394.559 3.993 20 0 GHADLP COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429681958 859011185 /nfs/dbraw/zinc/01/11/85/859011185.db2.gz XCGNLVYYHBPGGH-ZEQRLZLVSA-N 2 2 394.559 3.993 20 0 GHADLP COc1ccccc1C[C@@H]1CCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429681958 859011193 /nfs/dbraw/zinc/01/11/93/859011193.db2.gz XCGNLVYYHBPGGH-ZEQRLZLVSA-N 2 2 394.559 3.993 20 0 GHADLP COc1ccccc1C[C@@H]1CCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429681958 859011198 /nfs/dbraw/zinc/01/11/98/859011198.db2.gz XCGNLVYYHBPGGH-ZEQRLZLVSA-N 2 2 394.559 3.993 20 0 GHADLP O[C@H](C[NH+]1CC[C@@H](c2ccc(F)cc2)C1)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483114034 859158363 /nfs/dbraw/zinc/15/83/63/859158363.db2.gz VRVYXEZFNICAFD-JHDGKUDLSA-N 2 2 386.486 3.605 20 0 GHADLP O[C@H](C[NH+]1CC[C@@H](c2ccc(F)cc2)C1)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483114034 859158371 /nfs/dbraw/zinc/15/83/71/859158371.db2.gz VRVYXEZFNICAFD-JHDGKUDLSA-N 2 2 386.486 3.605 20 0 GHADLP O[C@@H](C[NH+]1CC[C@H](c2ccc(F)cc2)C1)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483114034 859158375 /nfs/dbraw/zinc/15/83/75/859158375.db2.gz VRVYXEZFNICAFD-JHDGKUDLSA-N 2 2 386.486 3.605 20 0 GHADLP O[C@@H](C[NH+]1CC[C@H](c2ccc(F)cc2)C1)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483114034 859158382 /nfs/dbraw/zinc/15/83/82/859158382.db2.gz VRVYXEZFNICAFD-JHDGKUDLSA-N 2 2 386.486 3.605 20 0 GHADLP CCC(C)(C)C1CCC(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000051759342 859313429 /nfs/dbraw/zinc/31/34/29/859313429.db2.gz UEPXJMWLPKROGV-UHFFFAOYSA-N 2 2 392.632 3.839 20 0 GHADLP CC[N@H+](CC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)Cc1ccccc1Cl ZINC000509412032 859357551 /nfs/dbraw/zinc/35/75/51/859357551.db2.gz WOPAQFABEDUUNH-FQEVSTJZSA-N 2 2 399.966 3.800 20 0 GHADLP CC[N@@H+](CC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)Cc1ccccc1Cl ZINC000509412032 859357556 /nfs/dbraw/zinc/35/75/56/859357556.db2.gz WOPAQFABEDUUNH-FQEVSTJZSA-N 2 2 399.966 3.800 20 0 GHADLP CC[NH+](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1Cl ZINC000509412032 859357566 /nfs/dbraw/zinc/35/75/66/859357566.db2.gz WOPAQFABEDUUNH-FQEVSTJZSA-N 2 2 399.966 3.800 20 0 GHADLP CC[NH+](CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1Cl ZINC000509412032 859357574 /nfs/dbraw/zinc/35/75/74/859357574.db2.gz WOPAQFABEDUUNH-FQEVSTJZSA-N 2 2 399.966 3.800 20 0 GHADLP O[C@H](C[NH2+][C@H]1CCSc2ccc(Cl)cc21)C[N@@H+]1CCc2ccccc2C1 ZINC000195652349 859395449 /nfs/dbraw/zinc/39/54/49/859395449.db2.gz NFKGPAWUEPMZNB-QUCCMNQESA-N 2 2 388.964 3.886 20 0 GHADLP O[C@H](C[NH2+][C@H]1CCSc2ccc(Cl)cc21)C[N@H+]1CCc2ccccc2C1 ZINC000195652349 859395458 /nfs/dbraw/zinc/39/54/58/859395458.db2.gz NFKGPAWUEPMZNB-QUCCMNQESA-N 2 2 388.964 3.886 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N(C3CCCCC3)C3CCCCC3)CC[C@@H]21 ZINC000483482349 859404597 /nfs/dbraw/zinc/40/45/97/859404597.db2.gz AWFOHGYKNUEXRQ-UGKGYDQZSA-N 2 2 375.601 3.897 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N(C3CCCCC3)C3CCCCC3)CC[C@@H]21 ZINC000483482349 859404601 /nfs/dbraw/zinc/40/46/01/859404601.db2.gz AWFOHGYKNUEXRQ-UGKGYDQZSA-N 2 2 375.601 3.897 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)CC[C@@H]21 ZINC000483482349 859404606 /nfs/dbraw/zinc/40/46/06/859404606.db2.gz AWFOHGYKNUEXRQ-UGKGYDQZSA-N 2 2 375.601 3.897 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)CC[C@@H]21 ZINC000483482349 859404611 /nfs/dbraw/zinc/40/46/11/859404611.db2.gz AWFOHGYKNUEXRQ-UGKGYDQZSA-N 2 2 375.601 3.897 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC[C@@H]21 ZINC000483484626 859406918 /nfs/dbraw/zinc/40/69/18/859406918.db2.gz JORWQGYBXWKNGA-BVYCBKJFSA-N 2 2 381.495 3.922 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC[C@@H]21 ZINC000483484626 859406922 /nfs/dbraw/zinc/40/69/22/859406922.db2.gz JORWQGYBXWKNGA-BVYCBKJFSA-N 2 2 381.495 3.922 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC[C@@H]21 ZINC000483484626 859406926 /nfs/dbraw/zinc/40/69/26/859406926.db2.gz JORWQGYBXWKNGA-BVYCBKJFSA-N 2 2 381.495 3.922 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC[C@@H]21 ZINC000483484626 859406927 /nfs/dbraw/zinc/40/69/27/859406927.db2.gz JORWQGYBXWKNGA-BVYCBKJFSA-N 2 2 381.495 3.922 20 0 GHADLP C[C@H](NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000764462469 859458046 /nfs/dbraw/zinc/45/80/46/859458046.db2.gz JVPJFUDMKORERE-NNWRFLSQSA-N 2 2 399.604 3.764 20 0 GHADLP C[C@H](NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000764462469 859458052 /nfs/dbraw/zinc/45/80/52/859458052.db2.gz JVPJFUDMKORERE-NNWRFLSQSA-N 2 2 399.604 3.764 20 0 GHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)C1 ZINC001168532219 859471258 /nfs/dbraw/zinc/47/12/58/859471258.db2.gz GNAZKQFHCKKYCO-OWCLPIDISA-N 2 2 393.494 3.637 20 0 GHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)C1 ZINC001168532219 859471264 /nfs/dbraw/zinc/47/12/64/859471264.db2.gz GNAZKQFHCKKYCO-OWCLPIDISA-N 2 2 393.494 3.637 20 0 GHADLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)CCO1 ZINC000895474410 859558353 /nfs/dbraw/zinc/55/83/53/859558353.db2.gz UORAYDKPMQNAJW-HNNXBMFYSA-N 2 2 383.558 3.638 20 0 GHADLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)CCO1 ZINC000895474410 859558359 /nfs/dbraw/zinc/55/83/59/859558359.db2.gz UORAYDKPMQNAJW-HNNXBMFYSA-N 2 2 383.558 3.638 20 0 GHADLP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000543405044 859592973 /nfs/dbraw/zinc/59/29/73/859592973.db2.gz TUKMHCGGKLHSHC-XMMPIXPASA-N 2 2 390.531 3.598 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000093109650 859623437 /nfs/dbraw/zinc/62/34/37/859623437.db2.gz SREJWRHODGFPSI-SFHVURJKSA-N 2 2 375.520 3.797 20 0 GHADLP O[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000895676975 859782078 /nfs/dbraw/zinc/78/20/78/859782078.db2.gz GSZSTUAIQDETSS-FVQBIDKESA-N 2 2 378.385 3.503 20 0 GHADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000895676975 859782087 /nfs/dbraw/zinc/78/20/87/859782087.db2.gz GSZSTUAIQDETSS-FVQBIDKESA-N 2 2 378.385 3.503 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4c(c3)C(C)(C)CCC4(C)C)C2)CC1 ZINC000602196078 859834812 /nfs/dbraw/zinc/83/48/12/859834812.db2.gz QLFQBFHEKXTIFZ-IBGZPJMESA-N 2 2 397.607 3.934 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4c(c3)C(C)(C)CCC4(C)C)C2)CC1 ZINC000602196078 859834818 /nfs/dbraw/zinc/83/48/18/859834818.db2.gz QLFQBFHEKXTIFZ-IBGZPJMESA-N 2 2 397.607 3.934 20 0 GHADLP CCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1OCC ZINC000484132412 859840206 /nfs/dbraw/zinc/84/02/06/859840206.db2.gz OKPYGVYPLBNIKU-NTKDMRAZSA-N 2 2 398.547 3.772 20 0 GHADLP CCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1OCC ZINC000484132412 859840212 /nfs/dbraw/zinc/84/02/12/859840212.db2.gz OKPYGVYPLBNIKU-NTKDMRAZSA-N 2 2 398.547 3.772 20 0 GHADLP CSc1ccccc1[C@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000194866647 860004675 /nfs/dbraw/zinc/00/46/75/860004675.db2.gz PDLPERXKJWDEKN-SFHVURJKSA-N 2 2 386.561 3.970 20 0 GHADLP CC1(C)[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1OCc1ccccc1 ZINC001170388027 881503476 /nfs/dbraw/zinc/50/34/76/881503476.db2.gz XRHOXRUZKHXGPL-RPWUZVMVSA-N 2 2 394.559 3.992 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2Cc4cccc(Cl)c4C2)CC3)cn1 ZINC001168729093 860272824 /nfs/dbraw/zinc/27/28/24/860272824.db2.gz VJLQAHVSOZXAOY-LJQANCHMSA-N 2 2 384.955 3.671 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@@H]2Cc4cccc(Cl)c4C2)CC3)cn1 ZINC001168729093 860272830 /nfs/dbraw/zinc/27/28/30/860272830.db2.gz VJLQAHVSOZXAOY-LJQANCHMSA-N 2 2 384.955 3.671 20 0 GHADLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cnn(-c2ccccc2)c1 ZINC000765682690 860403933 /nfs/dbraw/zinc/40/39/33/860403933.db2.gz KEPYQUOMOGSJFV-YKSBVNFPSA-N 2 2 389.547 3.512 20 0 GHADLP [NH3+]Cc1ccccc1NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000904667267 860557404 /nfs/dbraw/zinc/55/74/04/860557404.db2.gz ZLYMKHSYGWCJAQ-SFHVURJKSA-N 2 2 390.890 3.896 20 0 GHADLP COc1c(C)c[nH+]c(CN2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1C ZINC000856598910 881571392 /nfs/dbraw/zinc/57/13/92/881571392.db2.gz CSSQOJZZESCHOJ-OAQYLSRUSA-N 2 2 398.551 3.596 20 0 GHADLP COc1c(C)c[nH+]c(CN2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1C ZINC000856598910 881571398 /nfs/dbraw/zinc/57/13/98/881571398.db2.gz CSSQOJZZESCHOJ-OAQYLSRUSA-N 2 2 398.551 3.596 20 0 GHADLP COC(=O)CC1CCC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000599045673 860748263 /nfs/dbraw/zinc/74/82/63/860748263.db2.gz JMUSVZPKPCHGGH-UHFFFAOYSA-N 2 2 376.463 3.503 20 0 GHADLP CN(C(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623432374 861061576 /nfs/dbraw/zinc/06/15/76/861061576.db2.gz PANVDFLKMFBFEY-UNMCSNQZSA-N 2 2 379.548 3.723 20 0 GHADLP CN(C(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623432374 861061589 /nfs/dbraw/zinc/06/15/89/861061589.db2.gz PANVDFLKMFBFEY-UNMCSNQZSA-N 2 2 379.548 3.723 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000482543273 863300064 /nfs/dbraw/zinc/30/00/64/863300064.db2.gz LFTXWKOMAXBYCI-NWDGAFQWSA-N 2 2 392.758 3.885 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000482543273 863300077 /nfs/dbraw/zinc/30/00/77/863300077.db2.gz LFTXWKOMAXBYCI-NWDGAFQWSA-N 2 2 392.758 3.885 20 0 GHADLP C[C@@H](c1cccc(NC(=O)NCCC[NH2+]C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000605922363 863300702 /nfs/dbraw/zinc/30/07/02/863300702.db2.gz SWFBNINFTPVGAC-SFHVURJKSA-N 2 2 388.556 3.514 20 0 GHADLP COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000182671817 863324143 /nfs/dbraw/zinc/32/41/43/863324143.db2.gz STJKWHDQEUIGHP-QHCPKHFHSA-N 2 2 377.488 3.938 20 0 GHADLP COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000182671817 863324153 /nfs/dbraw/zinc/32/41/53/863324153.db2.gz STJKWHDQEUIGHP-QHCPKHFHSA-N 2 2 377.488 3.938 20 0 GHADLP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000182810342 863362977 /nfs/dbraw/zinc/36/29/77/863362977.db2.gz BOAOXALOSIXVGU-SFHVURJKSA-N 2 2 397.544 3.511 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000482628508 863402118 /nfs/dbraw/zinc/40/21/18/863402118.db2.gz KDNLTCDKZZBEMR-RTWAWAEBSA-N 2 2 385.939 3.553 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000482628508 863402121 /nfs/dbraw/zinc/40/21/21/863402121.db2.gz KDNLTCDKZZBEMR-RTWAWAEBSA-N 2 2 385.939 3.553 20 0 GHADLP C[C@H]1C[C@@H](CCNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC(C)(C)C1 ZINC000444102617 863422697 /nfs/dbraw/zinc/42/26/97/863422697.db2.gz FXKUGVFJZKAFGU-RBUKOAKNSA-N 2 2 392.632 3.697 20 0 GHADLP CC(C)(C)OCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000475057395 863559814 /nfs/dbraw/zinc/55/98/14/863559814.db2.gz XKEWXNCPPPFUCD-OAQYLSRUSA-N 2 2 388.600 3.511 20 0 GHADLP CC(C)(C)OCCCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000475057395 863559824 /nfs/dbraw/zinc/55/98/24/863559824.db2.gz XKEWXNCPPPFUCD-OAQYLSRUSA-N 2 2 388.600 3.511 20 0 GHADLP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494405124 881680168 /nfs/dbraw/zinc/68/01/68/881680168.db2.gz LZVIZWPNZXQWSS-FQEVSTJZSA-N 2 2 387.462 3.980 20 0 GHADLP O=C(Nc1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1)c1ccccc1Cl ZINC000494405426 881678727 /nfs/dbraw/zinc/67/87/27/881678727.db2.gz NFFUDPNKMJFYQO-INIZCTEOSA-N 2 2 380.879 3.893 20 0 GHADLP Cc1cn2cc(NC(=O)NCC3([NH+]4CCSCC4)CCCCC3)ccc2[nH+]1 ZINC000606568960 863711753 /nfs/dbraw/zinc/71/17/53/863711753.db2.gz MPOSVVUXWPLUEY-UHFFFAOYSA-N 2 2 387.553 3.516 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000606569750 863713254 /nfs/dbraw/zinc/71/32/54/863713254.db2.gz VAOAAVDYTRJLTP-LJQANCHMSA-N 2 2 377.492 3.676 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000606569750 863713259 /nfs/dbraw/zinc/71/32/59/863713259.db2.gz VAOAAVDYTRJLTP-LJQANCHMSA-N 2 2 377.492 3.676 20 0 GHADLP COc1ccccc1[C@@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)[NH+]1CCCCC1 ZINC000606584449 863732131 /nfs/dbraw/zinc/73/21/31/863732131.db2.gz VJSNLYCUUAWKGS-LJQANCHMSA-N 2 2 393.491 3.692 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000606581942 863732213 /nfs/dbraw/zinc/73/22/13/863732213.db2.gz XFLHJIHBRLHQBL-UHFFFAOYSA-N 2 2 383.883 3.774 20 0 GHADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1Oc1ccccc1 ZINC000480170180 864187799 /nfs/dbraw/zinc/18/77/99/864187799.db2.gz NNBJWXVYCKOQKU-ZRBLBEILSA-N 2 2 377.488 3.646 20 0 GHADLP CCCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OCC ZINC000469872668 864268438 /nfs/dbraw/zinc/26/84/38/864268438.db2.gz PHRCPFORHXKEAA-YQQAZPJKSA-N 2 2 397.357 3.806 20 0 GHADLP CCCOc1c(Br)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OCC ZINC000469872668 864268450 /nfs/dbraw/zinc/26/84/50/864268450.db2.gz PHRCPFORHXKEAA-YQQAZPJKSA-N 2 2 397.357 3.806 20 0 GHADLP Cc1ccc(-c2ccc(C[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)o2)cc1 ZINC000607366884 864351086 /nfs/dbraw/zinc/35/10/86/864351086.db2.gz XUPTUWNJMWQMJH-DEOSSOPVSA-N 2 2 376.500 3.982 20 0 GHADLP Cc1ccc(-c2ccc(C[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)o2)cc1 ZINC000607366884 864351112 /nfs/dbraw/zinc/35/11/12/864351112.db2.gz XUPTUWNJMWQMJH-DEOSSOPVSA-N 2 2 376.500 3.982 20 0 GHADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CCC2 ZINC000192672488 864451474 /nfs/dbraw/zinc/45/14/74/864451474.db2.gz LMKHXEXNAMFOFA-KRWDZBQOSA-N 2 2 383.492 3.796 20 0 GHADLP CC1(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[NH+](Cc2ccccc2)CC1 ZINC000159320838 864478645 /nfs/dbraw/zinc/47/86/45/864478645.db2.gz IMAKEAMIDVSVGW-UHFFFAOYSA-N 2 2 388.515 3.791 20 0 GHADLP Fc1cccc(Cl)c1CN1CCC([NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000163862896 864573257 /nfs/dbraw/zinc/57/32/57/864573257.db2.gz GPTVUWLNMIVZNJ-UHFFFAOYSA-N 2 2 376.907 3.930 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@@H]1c1cccs1 ZINC000554580928 864593470 /nfs/dbraw/zinc/59/34/70/864593470.db2.gz SVVOOIHWDLLKQK-PZJWPPBQSA-N 2 2 394.544 3.806 20 0 GHADLP C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@@H]1c1cccs1 ZINC000554580928 864593474 /nfs/dbraw/zinc/59/34/74/864593474.db2.gz SVVOOIHWDLLKQK-PZJWPPBQSA-N 2 2 394.544 3.806 20 0 GHADLP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000494490593 881787191 /nfs/dbraw/zinc/78/71/91/881787191.db2.gz YNYPRCOKWIEEFH-LEWJYISDSA-N 2 2 395.572 3.591 20 0 GHADLP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000494490593 881787206 /nfs/dbraw/zinc/78/72/06/881787206.db2.gz YNYPRCOKWIEEFH-LEWJYISDSA-N 2 2 395.572 3.591 20 0 GHADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000494490593 881787218 /nfs/dbraw/zinc/78/72/18/881787218.db2.gz YNYPRCOKWIEEFH-LEWJYISDSA-N 2 2 395.572 3.591 20 0 GHADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCc2sccc2C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000494490593 881787232 /nfs/dbraw/zinc/78/72/32/881787232.db2.gz YNYPRCOKWIEEFH-LEWJYISDSA-N 2 2 395.572 3.591 20 0 GHADLP C[C@H](c1ccc(Br)cc1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182569563 864696664 /nfs/dbraw/zinc/69/66/64/864696664.db2.gz SHWTWJMGOGCMJY-AZCLRUCKSA-N 2 2 392.385 3.753 20 0 GHADLP C[C@H](c1ccc(Br)cc1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182569563 864696673 /nfs/dbraw/zinc/69/66/73/864696673.db2.gz SHWTWJMGOGCMJY-AZCLRUCKSA-N 2 2 392.385 3.753 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3occc3Br)cc2)C[C@H](C)O1 ZINC000735321185 864723408 /nfs/dbraw/zinc/72/34/08/864723408.db2.gz YOWOHODYZNWSJX-GASCZTMLSA-N 2 2 393.325 3.941 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3occc3Br)cc2)C[C@H](C)O1 ZINC000735321185 864723415 /nfs/dbraw/zinc/72/34/15/864723415.db2.gz YOWOHODYZNWSJX-GASCZTMLSA-N 2 2 393.325 3.941 20 0 GHADLP c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000166215082 864725020 /nfs/dbraw/zinc/72/50/20/864725020.db2.gz GVUGNHAPRMKMJI-LADGPHEKSA-N 2 2 380.532 3.776 20 0 GHADLP C[C@@H](c1nnc(SCC[NH+]2CCCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000120919834 881800890 /nfs/dbraw/zinc/80/08/90/881800890.db2.gz DTJRSFYJFDVXPY-HNNXBMFYSA-N 2 2 377.533 3.607 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000173511786 864841677 /nfs/dbraw/zinc/84/16/77/864841677.db2.gz VYORGVWZPCPEEO-OAQYLSRUSA-N 2 2 378.520 3.551 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000173511786 864841691 /nfs/dbraw/zinc/84/16/91/864841691.db2.gz VYORGVWZPCPEEO-OAQYLSRUSA-N 2 2 378.520 3.551 20 0 GHADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000480544487 864848960 /nfs/dbraw/zinc/84/89/60/864848960.db2.gz ZVDUMZGAKUXYKE-HXUWFJFHSA-N 2 2 390.531 3.661 20 0 GHADLP O=C(NCCCn1cc[nH+]c1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444347322 865005483 /nfs/dbraw/zinc/00/54/83/865005483.db2.gz VDRVQPMEVPBVMP-UHFFFAOYSA-N 2 2 395.551 3.504 20 0 GHADLP O=C(NCCCn1cc[nH+]c1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444347322 865005487 /nfs/dbraw/zinc/00/54/87/865005487.db2.gz VDRVQPMEVPBVMP-UHFFFAOYSA-N 2 2 395.551 3.504 20 0 GHADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(C2CCCCC2)cc1 ZINC000168930391 865017483 /nfs/dbraw/zinc/01/74/83/865017483.db2.gz KGNVWVNHEYKYOJ-NRFANRHFSA-N 2 2 387.612 3.775 20 0 GHADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000480775502 865275693 /nfs/dbraw/zinc/27/56/93/865275693.db2.gz YBEXDRVPXTYJAY-XXBNENTESA-N 2 2 379.548 3.928 20 0 GHADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000480775502 865275702 /nfs/dbraw/zinc/27/57/02/865275702.db2.gz YBEXDRVPXTYJAY-XXBNENTESA-N 2 2 379.548 3.928 20 0 GHADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cccc(F)c2OC(F)F)c2ccccc2)CC1 ZINC000667756158 865359377 /nfs/dbraw/zinc/35/93/77/865359377.db2.gz NHWQIFZYLRZDBU-LJQANCHMSA-N 2 2 393.453 3.505 20 0 GHADLP C[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@@H+]1CCc2sccc2C1 ZINC000172101210 865487871 /nfs/dbraw/zinc/48/78/71/865487871.db2.gz UEYKYXNDGOKOCM-OAHLLOKOSA-N 2 2 397.544 3.733 20 0 GHADLP C[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@H+]1CCc2sccc2C1 ZINC000172101210 865487878 /nfs/dbraw/zinc/48/78/78/865487878.db2.gz UEYKYXNDGOKOCM-OAHLLOKOSA-N 2 2 397.544 3.733 20 0 GHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NCC1CC[NH+](Cc2cccs2)CC1 ZINC000301855596 865568897 /nfs/dbraw/zinc/56/88/97/865568897.db2.gz BXMXSTHRMBVNLY-UHFFFAOYSA-N 2 2 384.553 3.967 20 0 GHADLP CC(C)CC[C@H]1CCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000494556457 881903808 /nfs/dbraw/zinc/90/38/08/881903808.db2.gz FAEVRIDVSUYRKV-HXUWFJFHSA-N 2 2 378.605 3.547 20 0 GHADLP CC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000173366657 865795593 /nfs/dbraw/zinc/79/55/93/865795593.db2.gz GLCMGYZFIVXDTQ-LJQANCHMSA-N 2 2 386.927 3.515 20 0 GHADLP CSc1cccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481181299 865940523 /nfs/dbraw/zinc/94/05/23/865940523.db2.gz YWIKICOFMNOWAP-UTKZUKDTSA-N 2 2 383.561 3.847 20 0 GHADLP CSc1cccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481181299 865940531 /nfs/dbraw/zinc/94/05/31/865940531.db2.gz YWIKICOFMNOWAP-UTKZUKDTSA-N 2 2 383.561 3.847 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000481187412 865953463 /nfs/dbraw/zinc/95/34/63/865953463.db2.gz JIUUBVNPWUFVNB-JPYJTQIMSA-N 2 2 377.532 3.614 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000481187412 865953470 /nfs/dbraw/zinc/95/34/70/865953470.db2.gz JIUUBVNPWUFVNB-JPYJTQIMSA-N 2 2 377.532 3.614 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000534315510 866547614 /nfs/dbraw/zinc/54/76/14/866547614.db2.gz KJWFNMTVSWVRNP-JUXOCIIHSA-N 2 2 394.544 3.733 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000534315510 866547623 /nfs/dbraw/zinc/54/76/23/866547623.db2.gz KJWFNMTVSWVRNP-JUXOCIIHSA-N 2 2 394.544 3.733 20 0 GHADLP CN(C(=O)NCC1(C)CCCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534385468 866659132 /nfs/dbraw/zinc/65/91/32/866659132.db2.gz SWHRPPNJWTVINZ-VQTJNVASSA-N 2 2 378.605 3.545 20 0 GHADLP CN(C(=O)NCC1(C)CCCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534385468 866659140 /nfs/dbraw/zinc/65/91/40/866659140.db2.gz SWHRPPNJWTVINZ-VQTJNVASSA-N 2 2 378.605 3.545 20 0 GHADLP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655722949 866663395 /nfs/dbraw/zinc/66/33/95/866663395.db2.gz JTLFYZQYJLGYNF-AWEZNQCLSA-N 2 2 395.277 3.938 20 0 GHADLP C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900997 882037783 /nfs/dbraw/zinc/03/77/83/882037783.db2.gz OLOZFGVSMMDWHI-KXBFYZLASA-N 2 2 380.879 3.982 20 0 GHADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000153873178 867125603 /nfs/dbraw/zinc/12/56/03/867125603.db2.gz PWUBUYDPIZTHEO-UHFFFAOYSA-N 2 2 390.325 3.572 20 0 GHADLP CC(C)[N@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CCCC1 ZINC000428375967 867155662 /nfs/dbraw/zinc/15/56/62/867155662.db2.gz DFWMHGUYCVPTJB-UHFFFAOYSA-N 2 2 378.586 3.967 20 0 GHADLP CC(C)[N@@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CCCC1 ZINC000428375967 867155668 /nfs/dbraw/zinc/15/56/68/867155668.db2.gz DFWMHGUYCVPTJB-UHFFFAOYSA-N 2 2 378.586 3.967 20 0 GHADLP CC(C)C[C@@H]1CCCCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000154330596 867356987 /nfs/dbraw/zinc/35/69/87/867356987.db2.gz HBQWJQZDJHNIAX-NRFANRHFSA-N 2 2 378.605 3.545 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(-c2ccc(Br)cc2)s1 ZINC000154339882 867360889 /nfs/dbraw/zinc/36/08/89/867360889.db2.gz LWLLARCHOOVSEQ-SWLSCSKDSA-N 2 2 383.355 3.751 20 0 GHADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000194241317 882103958 /nfs/dbraw/zinc/10/39/58/882103958.db2.gz VCERKLLHIARCPT-UHFFFAOYSA-N 2 2 389.547 3.504 20 0 GHADLP FC(F)(F)c1ccc(C[N@@H+]2CCCN(Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000667491757 867749091 /nfs/dbraw/zinc/74/90/91/867749091.db2.gz GAJQUYHDOLYRKD-UHFFFAOYSA-N 2 2 378.442 3.556 20 0 GHADLP FC(F)(F)c1ccc(C[N@H+]2CCCN(Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000667491757 867749096 /nfs/dbraw/zinc/74/90/96/867749096.db2.gz GAJQUYHDOLYRKD-UHFFFAOYSA-N 2 2 378.442 3.556 20 0 GHADLP CC1(C)Cc2occc2[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000155161561 867778004 /nfs/dbraw/zinc/77/80/04/867778004.db2.gz DRDRTQMLXFQRJC-OAQYLSRUSA-N 2 2 384.520 3.794 20 0 GHADLP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155189448 867795799 /nfs/dbraw/zinc/79/57/99/867795799.db2.gz OCLQPLHSBARVIV-SBUREZEXSA-N 2 2 384.495 3.560 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2ccc3ccccc3c2)([NH+]2CCCCC2)CC1 ZINC000743058260 867806538 /nfs/dbraw/zinc/80/65/38/867806538.db2.gz SPTHOUXTJRNTTD-UHFFFAOYSA-N 2 2 380.536 3.912 20 0 GHADLP CCC(=O)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097673 868162263 /nfs/dbraw/zinc/16/22/63/868162263.db2.gz WNUIVLVGMZPAEW-VXKWHMMOSA-N 2 2 399.579 3.689 20 0 GHADLP CCC(=O)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097673 868162276 /nfs/dbraw/zinc/16/22/76/868162276.db2.gz WNUIVLVGMZPAEW-VXKWHMMOSA-N 2 2 399.579 3.689 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)Cc3ccc(Cl)cc3)CC2)CC1 ZINC000457520782 868440111 /nfs/dbraw/zinc/44/01/11/868440111.db2.gz SGKIYDUSNTZKAE-UHFFFAOYSA-N 2 2 391.987 3.584 20 0 GHADLP Cc1cc(Br)cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1OC(F)F ZINC000479925793 868724986 /nfs/dbraw/zinc/72/49/86/868724986.db2.gz OUTPJQCLXJDLAM-NSHDSACASA-N 2 2 388.256 3.981 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000157745217 868749580 /nfs/dbraw/zinc/74/95/80/868749580.db2.gz GJPCNRWNDGPCDM-UHFFFAOYSA-N 2 2 392.547 3.748 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000157745217 868749594 /nfs/dbraw/zinc/74/95/94/868749594.db2.gz GJPCNRWNDGPCDM-UHFFFAOYSA-N 2 2 392.547 3.748 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2nccn2-c2ccccc2)C[C@H](C)O1 ZINC000190833925 882282335 /nfs/dbraw/zinc/28/23/35/882282335.db2.gz MBUUORWNFGQRHX-PMACEKPBSA-N 2 2 390.531 3.771 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+][C@@H]3CCCCC3(C)C)n2)CC1 ZINC000428436312 869532737 /nfs/dbraw/zinc/53/27/37/869532737.db2.gz PULZMECVSHUERP-QGZVFWFLSA-N 2 2 378.586 3.872 20 0 GHADLP Cc1cccn2cc(CC(=O)Nc3ccc(OCC[N@H+]4CC[C@@H](C)C4)cc3)[nH+]c12 ZINC000524770019 869550227 /nfs/dbraw/zinc/55/02/27/869550227.db2.gz LOFNDNJGMQHNTG-QGZVFWFLSA-N 2 2 392.503 3.545 20 0 GHADLP Cc1cccn2cc(CC(=O)Nc3ccc(OCC[N@@H+]4CC[C@@H](C)C4)cc3)[nH+]c12 ZINC000524770019 869550241 /nfs/dbraw/zinc/55/02/41/869550241.db2.gz LOFNDNJGMQHNTG-QGZVFWFLSA-N 2 2 392.503 3.545 20 0 GHADLP C[N@H+](Cc1ccccc1OCC1CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428440087 869750333 /nfs/dbraw/zinc/75/03/33/869750333.db2.gz ZDBAOVOKPUSIGV-XMMPIXPASA-N 2 2 380.532 3.544 20 0 GHADLP C[N@@H+](Cc1ccccc1OCC1CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428440087 869750341 /nfs/dbraw/zinc/75/03/41/869750341.db2.gz ZDBAOVOKPUSIGV-XMMPIXPASA-N 2 2 380.532 3.544 20 0 GHADLP C[NH+](Cc1ccccc1OCC1CC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428440087 869750348 /nfs/dbraw/zinc/75/03/48/869750348.db2.gz ZDBAOVOKPUSIGV-XMMPIXPASA-N 2 2 380.532 3.544 20 0 GHADLP C[NH+](Cc1ccccc1OCC1CC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428440087 869750358 /nfs/dbraw/zinc/75/03/58/869750358.db2.gz ZDBAOVOKPUSIGV-XMMPIXPASA-N 2 2 380.532 3.544 20 0 GHADLP COc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c(F)c1 ZINC000539979795 870145125 /nfs/dbraw/zinc/14/51/25/870145125.db2.gz SGMBHNFXFVRVKL-UHFFFAOYSA-N 2 2 377.891 3.529 20 0 GHADLP C[C@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248567934 870496860 /nfs/dbraw/zinc/49/68/60/870496860.db2.gz LINRWYIKJUQHMI-IEIRFRATSA-N 2 2 383.580 3.983 20 0 GHADLP C[C@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248567934 870496869 /nfs/dbraw/zinc/49/68/69/870496869.db2.gz LINRWYIKJUQHMI-IEIRFRATSA-N 2 2 383.580 3.983 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)CN1C(=O)OC(C)(C)C ZINC001168835561 870892371 /nfs/dbraw/zinc/89/23/71/870892371.db2.gz SPKYICPPHNLFIC-HZPDHXFCSA-N 2 2 393.959 3.988 20 0 GHADLP COCC[N@H+](CCCCn1cc[nH+]c1C)Cc1sccc1Br ZINC000191428651 882466115 /nfs/dbraw/zinc/46/61/15/882466115.db2.gz ZMVWCBBXULBOBW-UHFFFAOYSA-N 2 2 386.359 3.944 20 0 GHADLP COCC[N@@H+](CCCCn1cc[nH+]c1C)Cc1sccc1Br ZINC000191428651 882466125 /nfs/dbraw/zinc/46/61/25/882466125.db2.gz ZMVWCBBXULBOBW-UHFFFAOYSA-N 2 2 386.359 3.944 20 0 GHADLP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000539056158 871191626 /nfs/dbraw/zinc/19/16/26/871191626.db2.gz XMXXFOCJLFBJNY-JTHBVZDNSA-N 2 2 397.950 3.866 20 0 GHADLP CC1(C)C[C@H]([NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C(C)(C)O1 ZINC001193649368 871214781 /nfs/dbraw/zinc/21/47/81/871214781.db2.gz PDXJZLCKCYYLRH-IBGZPJMESA-N 2 2 379.976 3.788 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCN(C(=O)c4ccsc4)CC3)CC1)C2 ZINC001169135013 871220982 /nfs/dbraw/zinc/22/09/82/871220982.db2.gz XMKWSTZQQZWBNI-ACDBMABISA-N 2 2 387.593 3.692 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCN(C(=O)c4ccsc4)CC3)CC1)C2 ZINC001169135013 871220995 /nfs/dbraw/zinc/22/09/95/871220995.db2.gz XMKWSTZQQZWBNI-ACDBMABISA-N 2 2 387.593 3.692 20 0 GHADLP CC1(C)CCC[N@H+](CC[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000463238890 871236705 /nfs/dbraw/zinc/23/67/05/871236705.db2.gz UXSKJXVLCKIWMW-UHFFFAOYSA-N 2 2 377.960 3.656 20 0 GHADLP CC1(C)CCC[N@@H+](CC[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000463238890 871236718 /nfs/dbraw/zinc/23/67/18/871236718.db2.gz UXSKJXVLCKIWMW-UHFFFAOYSA-N 2 2 377.960 3.656 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000525709131 871270776 /nfs/dbraw/zinc/27/07/76/871270776.db2.gz TXFUBBKXNCFKEW-CXAGYDPISA-N 2 2 391.357 3.824 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000525709131 871270790 /nfs/dbraw/zinc/27/07/90/871270790.db2.gz TXFUBBKXNCFKEW-CXAGYDPISA-N 2 2 391.357 3.824 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)n2C ZINC000463283100 871327349 /nfs/dbraw/zinc/32/73/49/871327349.db2.gz OIVGUPSUYOSMRZ-PKOBYXMFSA-N 2 2 378.520 3.725 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)n2C ZINC000463283100 871327412 /nfs/dbraw/zinc/32/74/12/871327412.db2.gz OIVGUPSUYOSMRZ-PKOBYXMFSA-N 2 2 378.520 3.725 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@H](C)C1 ZINC000122288861 882502618 /nfs/dbraw/zinc/50/26/18/882502618.db2.gz ARLKAQDNAWXVSY-MSYCTHLASA-N 3 2 384.568 3.968 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@H](C)C1 ZINC000122288861 882502629 /nfs/dbraw/zinc/50/26/29/882502629.db2.gz ARLKAQDNAWXVSY-MSYCTHLASA-N 3 2 384.568 3.968 20 0 GHADLP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)C2)CC1 ZINC000103311131 871674964 /nfs/dbraw/zinc/67/49/64/871674964.db2.gz AYACJOGWQGWXTK-NRFANRHFSA-N 2 2 395.551 3.526 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C2 ZINC000525979545 871849291 /nfs/dbraw/zinc/84/92/91/871849291.db2.gz ZHIVDIVLPJTFFW-MAUKXSAKSA-N 2 2 386.565 3.653 20 0 GHADLP CCc1ccc2occ(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c2c1 ZINC000552047830 871931516 /nfs/dbraw/zinc/93/15/16/871931516.db2.gz ZYALWBDOFYGDRF-UHFFFAOYSA-N 2 2 383.536 3.675 20 0 GHADLP CN(C(=O)c1sccc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000552114848 872041010 /nfs/dbraw/zinc/04/10/10/872041010.db2.gz ASGLZPQBDZFOOG-DLBZAZTESA-N 2 2 383.989 3.811 20 0 GHADLP CN(C(=O)c1sccc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000552114848 872041032 /nfs/dbraw/zinc/04/10/32/872041032.db2.gz ASGLZPQBDZFOOG-DLBZAZTESA-N 2 2 383.989 3.811 20 0 GHADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cnc(C(F)(F)F)s3)CC2)C[C@H](C)O1 ZINC000447727507 872168463 /nfs/dbraw/zinc/16/84/63/872168463.db2.gz JRYFUEWMIMPUOZ-KBPBESRZSA-N 2 2 391.503 3.873 20 0 GHADLP C[NH+](C)[C@@H](C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)c1cccc(Cl)c1 ZINC000447728066 872168975 /nfs/dbraw/zinc/16/89/75/872168975.db2.gz KXUZYSRPCCGTFJ-RBUKOAKNSA-N 2 2 387.911 3.967 20 0 GHADLP CC(C)[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c2ccccc21 ZINC000447771544 872258283 /nfs/dbraw/zinc/25/82/83/872258283.db2.gz XSZQAMGQBPMFFJ-NRFANRHFSA-N 2 2 398.595 3.906 20 0 GHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)C1 ZINC000478035071 872346256 /nfs/dbraw/zinc/34/62/56/872346256.db2.gz CTVGYIVSEOOGEH-NRFANRHFSA-N 2 2 385.596 3.965 20 0 GHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)C1 ZINC000478035071 872346268 /nfs/dbraw/zinc/34/62/68/872346268.db2.gz CTVGYIVSEOOGEH-NRFANRHFSA-N 2 2 385.596 3.965 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)C1 ZINC000478035071 872346286 /nfs/dbraw/zinc/34/62/86/872346286.db2.gz CTVGYIVSEOOGEH-NRFANRHFSA-N 2 2 385.596 3.965 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)C1 ZINC000478035071 872346304 /nfs/dbraw/zinc/34/63/04/872346304.db2.gz CTVGYIVSEOOGEH-NRFANRHFSA-N 2 2 385.596 3.965 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2cccc(-n3cccc3)c2)([NH+]2CCCCC2)CC1 ZINC000478083996 872463785 /nfs/dbraw/zinc/46/37/85/872463785.db2.gz GGINTJDVNLPLAL-UHFFFAOYSA-N 2 2 395.551 3.549 20 0 GHADLP COC(=O)c1ccc(Cl)c(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000619509099 872695591 /nfs/dbraw/zinc/69/55/91/872695591.db2.gz CCDJBZUAFJUQSK-LJQANCHMSA-N 2 2 383.879 3.934 20 0 GHADLP CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000552494059 872726897 /nfs/dbraw/zinc/72/68/97/872726897.db2.gz UUYZXTCYTUTEAL-LJQANCHMSA-N 2 2 397.494 3.838 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC(C)(C)C[NH+]2CCCC2)c(C)c1 ZINC000478409788 872959924 /nfs/dbraw/zinc/95/99/24/872959924.db2.gz GBRBMSGPDOARMO-NRFANRHFSA-N 2 2 397.567 3.662 20 0 GHADLP COc1cccc(C[NH+]2CCC([NH2+]C3CC(C)(C)N(O)C(C)(C)C3)CC2)c1 ZINC001169982029 873070970 /nfs/dbraw/zinc/07/09/70/873070970.db2.gz FIMFALTWSSTLHC-UHFFFAOYSA-N 2 2 375.557 3.660 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[C@@H]1c1ccccc1 ZINC000541186492 873114799 /nfs/dbraw/zinc/11/47/99/873114799.db2.gz CQELJKSFCYBLTE-VXKWHMMOSA-N 2 2 395.551 3.530 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[C@@H]1c1ccccc1 ZINC000541186492 873114800 /nfs/dbraw/zinc/11/48/00/873114800.db2.gz CQELJKSFCYBLTE-VXKWHMMOSA-N 2 2 395.551 3.530 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(F)c(Br)cc1F ZINC000527899387 873734964 /nfs/dbraw/zinc/73/49/64/873734964.db2.gz VGVCNMXKRZBBKE-QWHCGFSZSA-N 2 2 391.300 3.879 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(F)c(Br)cc1F ZINC000527899387 873734967 /nfs/dbraw/zinc/73/49/67/873734967.db2.gz VGVCNMXKRZBBKE-QWHCGFSZSA-N 2 2 391.300 3.879 20 0 GHADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)CC1 ZINC000302734311 874373987 /nfs/dbraw/zinc/37/39/87/874373987.db2.gz APEGEZYXTMMDDE-FQEVSTJZSA-N 2 2 383.561 3.538 20 0 GHADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccs2)CC1 ZINC000302734311 874374003 /nfs/dbraw/zinc/37/40/03/874374003.db2.gz APEGEZYXTMMDDE-FQEVSTJZSA-N 2 2 383.561 3.538 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(CCc2ccccc2)s1 ZINC000449052247 874425248 /nfs/dbraw/zinc/42/52/48/874425248.db2.gz YUGJWDOTUPZEAM-HMXCVIKNSA-N 2 2 385.577 3.612 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(CCc2ccccc2)s1 ZINC000449052247 874425256 /nfs/dbraw/zinc/42/52/56/874425256.db2.gz YUGJWDOTUPZEAM-HMXCVIKNSA-N 2 2 385.577 3.612 20 0 GHADLP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000449079521 874461075 /nfs/dbraw/zinc/46/10/75/874461075.db2.gz ZCHLEGGAEKWGFL-MRXNPFEDSA-N 2 2 378.289 3.941 20 0 GHADLP CCn1nnc(C)c1C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000449123432 874506291 /nfs/dbraw/zinc/50/62/91/874506291.db2.gz CMLMLAVHHUVUMA-UHFFFAOYSA-N 2 2 386.503 3.808 20 0 GHADLP CCc1ccc(NC(=O)C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000464803814 874515442 /nfs/dbraw/zinc/51/54/42/874515442.db2.gz APRAAVSGQVBUHJ-UHFFFAOYSA-N 2 2 380.536 3.821 20 0 GHADLP CCc1ccc(NC(=O)C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000464803814 874515445 /nfs/dbraw/zinc/51/54/45/874515445.db2.gz APRAAVSGQVBUHJ-UHFFFAOYSA-N 2 2 380.536 3.821 20 0 GHADLP CC[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804779 874516658 /nfs/dbraw/zinc/51/66/58/874516658.db2.gz IMVUNARMKCESNL-SVFBPWRDSA-N 2 2 386.584 3.561 20 0 GHADLP CC[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804779 874516668 /nfs/dbraw/zinc/51/66/68/874516668.db2.gz IMVUNARMKCESNL-SVFBPWRDSA-N 2 2 386.584 3.561 20 0 GHADLP CC[N@@H+](CC(=O)Nc1ccc(C)c(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804566 874517468 /nfs/dbraw/zinc/51/74/68/874517468.db2.gz GHTFGLMABJYTNC-UHFFFAOYSA-N 2 2 384.499 3.706 20 0 GHADLP CC[N@H+](CC(=O)Nc1ccc(C)c(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804566 874517470 /nfs/dbraw/zinc/51/74/70/874517470.db2.gz GHTFGLMABJYTNC-UHFFFAOYSA-N 2 2 384.499 3.706 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cn(C)nc2Br)C1 ZINC000858099071 882844140 /nfs/dbraw/zinc/84/41/40/882844140.db2.gz VAPIJMRHFOAHNR-OAHLLOKOSA-N 2 2 391.357 3.704 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cn(C)nc2Br)C1 ZINC000858099071 882844157 /nfs/dbraw/zinc/84/41/57/882844157.db2.gz VAPIJMRHFOAHNR-OAHLLOKOSA-N 2 2 391.357 3.704 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000770372776 874613372 /nfs/dbraw/zinc/61/33/72/874613372.db2.gz GGKQKVWUFPJLSC-MJGOQNOKSA-N 2 2 386.540 3.877 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000770372776 874613381 /nfs/dbraw/zinc/61/33/81/874613381.db2.gz GGKQKVWUFPJLSC-MJGOQNOKSA-N 2 2 386.540 3.877 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000770372776 874613386 /nfs/dbraw/zinc/61/33/86/874613386.db2.gz GGKQKVWUFPJLSC-MJGOQNOKSA-N 2 2 386.540 3.877 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000770372776 874613395 /nfs/dbraw/zinc/61/33/95/874613395.db2.gz GGKQKVWUFPJLSC-MJGOQNOKSA-N 2 2 386.540 3.877 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843462 874619456 /nfs/dbraw/zinc/61/94/56/874619456.db2.gz VCVAMDRXZGEOLK-GGAORHGYSA-N 2 2 393.575 3.796 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843462 874619464 /nfs/dbraw/zinc/61/94/64/874619464.db2.gz VCVAMDRXZGEOLK-GGAORHGYSA-N 2 2 393.575 3.796 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843462 874619470 /nfs/dbraw/zinc/61/94/70/874619470.db2.gz VCVAMDRXZGEOLK-GGAORHGYSA-N 2 2 393.575 3.796 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843462 874619477 /nfs/dbraw/zinc/61/94/77/874619477.db2.gz VCVAMDRXZGEOLK-GGAORHGYSA-N 2 2 393.575 3.796 20 0 GHADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464847421 874630883 /nfs/dbraw/zinc/63/08/83/874630883.db2.gz LHVHHAVJRCJLFV-XPNTWCBSSA-N 2 2 393.575 3.749 20 0 GHADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464847421 874630885 /nfs/dbraw/zinc/63/08/85/874630885.db2.gz LHVHHAVJRCJLFV-XPNTWCBSSA-N 2 2 393.575 3.749 20 0 GHADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464847421 874630892 /nfs/dbraw/zinc/63/08/92/874630892.db2.gz LHVHHAVJRCJLFV-XPNTWCBSSA-N 2 2 393.575 3.749 20 0 GHADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464847421 874630897 /nfs/dbraw/zinc/63/08/97/874630897.db2.gz LHVHHAVJRCJLFV-XPNTWCBSSA-N 2 2 393.575 3.749 20 0 GHADLP COCO[C@@H](C)c1cc(F)c(C[NH2+][C@@H](C)CC[NH+](C)C)cc1Br ZINC000858116154 882857519 /nfs/dbraw/zinc/85/75/19/882857519.db2.gz PLLNTELNYTYKGU-STQMWFEESA-N 2 2 391.325 3.700 20 0 GHADLP C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449352514 874749340 /nfs/dbraw/zinc/74/93/40/874749340.db2.gz WSRSWZBICFVHLO-GFCCVEGCSA-N 2 2 394.704 3.663 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177887207 882870321 /nfs/dbraw/zinc/87/03/21/882870321.db2.gz IWPQLMUOAJNMKL-GOSISDBHSA-N 2 2 383.540 3.520 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177887207 882870339 /nfs/dbraw/zinc/87/03/39/882870339.db2.gz IWPQLMUOAJNMKL-GOSISDBHSA-N 2 2 383.540 3.520 20 0 GHADLP COc1nsc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1Cl ZINC001199237554 874866914 /nfs/dbraw/zinc/86/69/14/874866914.db2.gz DPWHBLWZNKGJCJ-KBPBESRZSA-N 2 2 395.956 3.704 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cn(-c4ccc(F)cc4)nn3)cc2)C1 ZINC001199266970 874882712 /nfs/dbraw/zinc/88/27/12/874882712.db2.gz LPWMIPQCYZECPF-GOSISDBHSA-N 2 2 393.510 3.928 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cn(-c4ccc(F)cc4)nn3)cc2)C1 ZINC001199266970 874882722 /nfs/dbraw/zinc/88/27/22/874882722.db2.gz LPWMIPQCYZECPF-GOSISDBHSA-N 2 2 393.510 3.928 20 0 GHADLP c1nc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)sc1-c1ccccc1 ZINC001199392253 874938616 /nfs/dbraw/zinc/93/86/16/874938616.db2.gz PZAFYVOQNKPNEZ-UHFFFAOYSA-N 2 2 379.529 3.932 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000122969361 882878498 /nfs/dbraw/zinc/87/84/98/882878498.db2.gz SNCUPQYHDHZCJM-UHFFFAOYSA-N 2 2 389.540 3.652 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000122969361 882878517 /nfs/dbraw/zinc/87/85/17/882878517.db2.gz SNCUPQYHDHZCJM-UHFFFAOYSA-N 2 2 389.540 3.652 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]CCCc3cnccc3C)CC2)cc1 ZINC000449525734 875001887 /nfs/dbraw/zinc/00/18/87/875001887.db2.gz UFTCTZUZPRCNFY-UHFFFAOYSA-N 2 2 380.536 3.535 20 0 GHADLP O[C@@H](COc1cccc2ccccc21)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542131337 875028136 /nfs/dbraw/zinc/02/81/36/875028136.db2.gz CLZGBSHTUXDFEN-JOCHJYFZSA-N 2 2 393.531 3.968 20 0 GHADLP Cc1nc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000178929086 882937499 /nfs/dbraw/zinc/93/74/99/882937499.db2.gz MJRGPKWDXSLJTP-QZTJIDSGSA-N 2 2 393.601 3.561 20 0 GHADLP Cc1nc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000178929086 882937509 /nfs/dbraw/zinc/93/75/09/882937509.db2.gz MJRGPKWDXSLJTP-QZTJIDSGSA-N 2 2 393.601 3.561 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(F)cc3C(F)(F)F)[nH+]c2)C1 ZINC001201536456 875734472 /nfs/dbraw/zinc/73/44/72/875734472.db2.gz SIOBVLLYHQBCKP-INIZCTEOSA-N 2 2 382.405 3.992 20 0 GHADLP COC(=O)C1CC[NH+](CCCNc2cc[nH+]c3cc(F)c(Cl)cc23)CC1 ZINC000450259465 876160841 /nfs/dbraw/zinc/16/08/41/876160841.db2.gz WQJBJTACIVKFLG-UHFFFAOYSA-N 2 2 379.863 3.714 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529552921 876318878 /nfs/dbraw/zinc/31/88/78/876318878.db2.gz CQYJHVXHYQOVMK-CYBMUJFWSA-N 2 2 383.359 3.817 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529552921 876318889 /nfs/dbraw/zinc/31/88/89/876318889.db2.gz CQYJHVXHYQOVMK-CYBMUJFWSA-N 2 2 383.359 3.817 20 0 GHADLP CSc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000173353597 876336844 /nfs/dbraw/zinc/33/68/44/876336844.db2.gz WIBUNHOWLFBBOL-GOSISDBHSA-N 2 2 386.561 3.970 20 0 GHADLP Cn1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(-c2cccs2)n1 ZINC000179900317 883036948 /nfs/dbraw/zinc/03/69/48/883036948.db2.gz RZUQGTKVHMEQJZ-UHFFFAOYSA-N 2 2 395.576 3.683 20 0 GHADLP Cn1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(-c2cccs2)n1 ZINC000179900317 883036959 /nfs/dbraw/zinc/03/69/59/883036959.db2.gz RZUQGTKVHMEQJZ-UHFFFAOYSA-N 2 2 395.576 3.683 20 0 GHADLP C[C@H](C[NH2+]Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)Cn1cc[nH+]c1 ZINC000850091944 876658292 /nfs/dbraw/zinc/65/82/92/876658292.db2.gz DIVXWHMMOQWQTA-QGZVFWFLSA-N 2 2 384.524 3.602 20 0 GHADLP C[C@H](C[NH2+]Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)Cn1cc[nH+]c1 ZINC000850092834 876658308 /nfs/dbraw/zinc/65/83/08/876658308.db2.gz VGJCBEKTFFZPPR-QGZVFWFLSA-N 2 2 384.524 3.602 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000450735365 876832098 /nfs/dbraw/zinc/83/20/98/876832098.db2.gz AUFPZZQITUMTNA-HZPDHXFCSA-N 2 2 380.458 3.692 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000850512545 876983259 /nfs/dbraw/zinc/98/32/59/876983259.db2.gz GZSVEZBKONAVGI-DOTOQJQBSA-N 2 2 387.911 3.522 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000850512545 876983266 /nfs/dbraw/zinc/98/32/66/876983266.db2.gz GZSVEZBKONAVGI-DOTOQJQBSA-N 2 2 387.911 3.522 20 0 GHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403653 877010998 /nfs/dbraw/zinc/01/09/98/877010998.db2.gz PXCNINNMMDYMBR-CTNGQTDRSA-N 2 2 397.538 3.799 20 0 GHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403653 877011014 /nfs/dbraw/zinc/01/10/14/877011014.db2.gz PXCNINNMMDYMBR-CTNGQTDRSA-N 2 2 397.538 3.799 20 0 GHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174403653 877011028 /nfs/dbraw/zinc/01/10/28/877011028.db2.gz PXCNINNMMDYMBR-CTNGQTDRSA-N 2 2 397.538 3.799 20 0 GHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174403653 877011044 /nfs/dbraw/zinc/01/10/44/877011044.db2.gz PXCNINNMMDYMBR-CTNGQTDRSA-N 2 2 397.538 3.799 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000174677162 877164674 /nfs/dbraw/zinc/16/46/74/877164674.db2.gz YMVZUGGMJBUOHJ-HDICACEKSA-N 2 2 381.520 3.610 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000174677162 877164681 /nfs/dbraw/zinc/16/46/81/877164681.db2.gz YMVZUGGMJBUOHJ-HDICACEKSA-N 2 2 381.520 3.610 20 0 GHADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1ncc(C(F)(F)F)cc1Cl)N1CC[NH+](C)CC1 ZINC000924630331 877262537 /nfs/dbraw/zinc/26/25/37/877262537.db2.gz BFRRKCACKZVZCR-XJKSGUPXSA-N 2 2 392.897 3.676 20 0 GHADLP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000787287031 877295928 /nfs/dbraw/zinc/29/59/28/877295928.db2.gz SNRQGLFGNWZSIA-HNNXBMFYSA-N 2 2 389.908 3.650 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000181008955 883116913 /nfs/dbraw/zinc/11/69/13/883116913.db2.gz DGXSITHTCXHPLI-HKUYNNGSSA-N 2 2 393.560 3.643 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000181008955 883116914 /nfs/dbraw/zinc/11/69/14/883116914.db2.gz DGXSITHTCXHPLI-HKUYNNGSSA-N 2 2 393.560 3.643 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C2 ZINC000530291763 877454214 /nfs/dbraw/zinc/45/42/14/877454214.db2.gz KSISHUSGEDHCAR-DVECYGJZSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)C2 ZINC000530291763 877454224 /nfs/dbraw/zinc/45/42/24/877454224.db2.gz KSISHUSGEDHCAR-DVECYGJZSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)CC2 ZINC000530291763 877454240 /nfs/dbraw/zinc/45/42/40/877454240.db2.gz KSISHUSGEDHCAR-DVECYGJZSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)CC2 ZINC000530291763 877454249 /nfs/dbraw/zinc/45/42/49/877454249.db2.gz KSISHUSGEDHCAR-DVECYGJZSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C2 ZINC000530291764 877454302 /nfs/dbraw/zinc/45/43/02/877454302.db2.gz KSISHUSGEDHCAR-NTKDMRAZSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C2 ZINC000530291764 877454311 /nfs/dbraw/zinc/45/43/11/877454311.db2.gz KSISHUSGEDHCAR-NTKDMRAZSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)CC2 ZINC000530291764 877454322 /nfs/dbraw/zinc/45/43/22/877454322.db2.gz KSISHUSGEDHCAR-NTKDMRAZSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)CC2 ZINC000530291764 877454334 /nfs/dbraw/zinc/45/43/34/877454334.db2.gz KSISHUSGEDHCAR-NTKDMRAZSA-N 2 2 394.563 3.809 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H](c3ccccc3)[C@H]3CCOC3)C2)cc1 ZINC000551701494 877667454 /nfs/dbraw/zinc/66/74/54/877667454.db2.gz CYIWZYOJHHIWEH-VXNXHJTFSA-N 2 2 380.532 3.645 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H](c3ccccc3)[C@H]3CCOC3)C2)cc1 ZINC000551701494 877667458 /nfs/dbraw/zinc/66/74/58/877667458.db2.gz CYIWZYOJHHIWEH-VXNXHJTFSA-N 2 2 380.532 3.645 20 0 GHADLP COc1cccc(C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C2CC2)c1 ZINC000551703872 877673914 /nfs/dbraw/zinc/67/39/14/877673914.db2.gz LRRZJQFMTANVDH-DQEYMECFSA-N 2 2 394.559 3.897 20 0 GHADLP COc1cccc(C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CC2)c1 ZINC000551703872 877673930 /nfs/dbraw/zinc/67/39/30/877673930.db2.gz LRRZJQFMTANVDH-DQEYMECFSA-N 2 2 394.559 3.897 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477606927 877922553 /nfs/dbraw/zinc/92/25/53/877922553.db2.gz JQUVKJKUKOLRMC-KKXDTOCCSA-N 2 2 383.939 3.897 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477606927 877922559 /nfs/dbraw/zinc/92/25/59/877922559.db2.gz JQUVKJKUKOLRMC-KKXDTOCCSA-N 2 2 383.939 3.897 20 0 GHADLP C[NH+]1CCC(CNC(=O)N2CCC(c3ccccc3)CC2)([NH+]2CCCCC2)CC1 ZINC000176103256 878079850 /nfs/dbraw/zinc/07/98/50/878079850.db2.gz DVWGCSFUGDXIOP-UHFFFAOYSA-N 2 2 398.595 3.526 20 0 GHADLP Cc1cc(Br)cn2c(C[N@@H+](C)C3CC[NH+](C(C)C)CC3)cnc12 ZINC000542465218 878269456 /nfs/dbraw/zinc/26/94/56/878269456.db2.gz YVNGBAIYEHKJHM-UHFFFAOYSA-N 2 2 379.346 3.710 20 0 GHADLP Cc1cc(Br)cn2c(C[N@H+](C)C3CC[NH+](C(C)C)CC3)cnc12 ZINC000542465218 878269462 /nfs/dbraw/zinc/26/94/62/878269462.db2.gz YVNGBAIYEHKJHM-UHFFFAOYSA-N 2 2 379.346 3.710 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000451735741 878435124 /nfs/dbraw/zinc/43/51/24/878435124.db2.gz MQYWXGHGUDRDFR-HXUWFJFHSA-N 2 2 377.960 3.856 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000451735741 878435235 /nfs/dbraw/zinc/43/52/35/878435235.db2.gz MQYWXGHGUDRDFR-HXUWFJFHSA-N 2 2 377.960 3.856 20 0 GHADLP O=C1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccccc1F ZINC000245743453 878518152 /nfs/dbraw/zinc/51/81/52/878518152.db2.gz SALGKHDJZAJKKM-KEZQHZCBSA-N 2 2 393.506 3.716 20 0 GHADLP O=C1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccccc1F ZINC000245743453 878518167 /nfs/dbraw/zinc/51/81/67/878518167.db2.gz SALGKHDJZAJKKM-KEZQHZCBSA-N 2 2 393.506 3.716 20 0 GHADLP Cc1nn(Cc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1[C@@H]1COCC[N@H+]1C ZINC000852964750 878675378 /nfs/dbraw/zinc/67/53/78/878675378.db2.gz XMBGBQFIBPIDPX-QFIPXVFZSA-N 2 2 382.552 3.537 20 0 GHADLP Cc1nn(Cc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1[C@@H]1COCC[N@@H+]1C ZINC000852964750 878675390 /nfs/dbraw/zinc/67/53/90/878675390.db2.gz XMBGBQFIBPIDPX-QFIPXVFZSA-N 2 2 382.552 3.537 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000177956984 878928469 /nfs/dbraw/zinc/92/84/69/878928469.db2.gz MJCNEPGLSWZNJU-GOSISDBHSA-N 2 2 395.494 3.636 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccnn1-c1ccccc1 ZINC000467307010 879056015 /nfs/dbraw/zinc/05/60/15/879056015.db2.gz QVNYYUOJJZMEAF-LJQANCHMSA-N 2 2 376.504 3.555 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCc1ccc2ccccc2c1 ZINC000538300442 879213710 /nfs/dbraw/zinc/21/37/10/879213710.db2.gz BJNBYJCUULCAKA-UHFFFAOYSA-N 2 2 381.564 3.647 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCc1ccc2ccccc2c1 ZINC000538300442 879213724 /nfs/dbraw/zinc/21/37/24/879213724.db2.gz BJNBYJCUULCAKA-UHFFFAOYSA-N 2 2 381.564 3.647 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CCN(c4ccccc4)C3)CC2)cc1 ZINC000152547875 879369537 /nfs/dbraw/zinc/36/95/37/879369537.db2.gz PMQWGBCHIQOSBT-HXUWFJFHSA-N 2 2 378.564 3.838 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000772747581 879494924 /nfs/dbraw/zinc/49/49/24/879494924.db2.gz PCPLIFKMHCPKQN-NQIIRXRSSA-N 2 2 381.524 3.538 20 0 GHADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000772747581 879494936 /nfs/dbraw/zinc/49/49/36/879494936.db2.gz PCPLIFKMHCPKQN-NQIIRXRSSA-N 2 2 381.524 3.538 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000854223473 879641598 /nfs/dbraw/zinc/64/15/98/879641598.db2.gz GATDHLDVNOKWPL-RTFZILSDSA-N 2 2 393.531 3.618 20 0 GHADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246519390 879648110 /nfs/dbraw/zinc/64/81/10/879648110.db2.gz IRJJSAJSKSESIC-RBBKRZOGSA-N 2 2 383.580 3.762 20 0 GHADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246519390 879648115 /nfs/dbraw/zinc/64/81/15/879648115.db2.gz IRJJSAJSKSESIC-RBBKRZOGSA-N 2 2 383.580 3.762 20 0 GHADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246519390 879648123 /nfs/dbraw/zinc/64/81/23/879648123.db2.gz IRJJSAJSKSESIC-RBBKRZOGSA-N 2 2 383.580 3.762 20 0 GHADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246519390 879648127 /nfs/dbraw/zinc/64/81/27/879648127.db2.gz IRJJSAJSKSESIC-RBBKRZOGSA-N 2 2 383.580 3.762 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cs2)cc1 ZINC000139895739 879830960 /nfs/dbraw/zinc/83/09/60/879830960.db2.gz OUXOKTVZFWASGR-HKUYNNGSSA-N 2 2 385.533 3.513 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cs2)cc1 ZINC000139895739 879830977 /nfs/dbraw/zinc/83/09/77/879830977.db2.gz OUXOKTVZFWASGR-HKUYNNGSSA-N 2 2 385.533 3.513 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cs2)cc1 ZINC000139895739 879830995 /nfs/dbraw/zinc/83/09/95/879830995.db2.gz OUXOKTVZFWASGR-HKUYNNGSSA-N 2 2 385.533 3.513 20 0 GHADLP COC(=O)c1ccc(-c2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cs2)cc1 ZINC000139895739 879831010 /nfs/dbraw/zinc/83/10/10/879831010.db2.gz OUXOKTVZFWASGR-HKUYNNGSSA-N 2 2 385.533 3.513 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000531733080 880361374 /nfs/dbraw/zinc/36/13/74/880361374.db2.gz DFSHRJIWJRCCHM-UKRRQHHQSA-N 2 2 390.915 3.738 20 0 GHADLP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ncc(-c2ccccc2)n1C ZINC000453214011 880627973 /nfs/dbraw/zinc/62/79/73/880627973.db2.gz DJNWQPSTVBWPMJ-SFHVURJKSA-N 2 2 393.535 3.663 20 0 GHADLP Fc1cc2ncn(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)c2cc1F ZINC000795712345 912610432 /nfs/dbraw/zinc/61/04/32/912610432.db2.gz WOVLVDKEXMYQNA-QFIPXVFZSA-N 2 2 382.458 3.870 20 0 GHADLP Fc1cc2ncn(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)c2cc1F ZINC000795712345 912610471 /nfs/dbraw/zinc/61/04/71/912610471.db2.gz WOVLVDKEXMYQNA-QFIPXVFZSA-N 2 2 382.458 3.870 20 0 GHADLP Fc1cc2ncn(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)c2cc1F ZINC000795712345 912610476 /nfs/dbraw/zinc/61/04/76/912610476.db2.gz WOVLVDKEXMYQNA-QFIPXVFZSA-N 2 2 382.458 3.870 20 0 GHADLP Fc1cc2ncn(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2cc1F ZINC000795712345 912610477 /nfs/dbraw/zinc/61/04/77/912610477.db2.gz WOVLVDKEXMYQNA-QFIPXVFZSA-N 2 2 382.458 3.870 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CCC[C@H]([NH+](C)C)CC3)CC2)cc1 ZINC000429526105 880850762 /nfs/dbraw/zinc/85/07/62/880850762.db2.gz GHOXIPVKPDUASS-QHCPKHFHSA-N 2 2 385.596 3.582 20 0 GHADLP Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)CC2)cc1 ZINC000429526105 880850770 /nfs/dbraw/zinc/85/07/70/880850770.db2.gz GHOXIPVKPDUASS-QHCPKHFHSA-N 2 2 385.596 3.582 20 0 GHADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000532016319 880930104 /nfs/dbraw/zinc/93/01/04/880930104.db2.gz SVQPOLIOEXMZFD-OALUTQOASA-N 2 2 376.447 3.692 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000792254159 881018680 /nfs/dbraw/zinc/01/86/80/881018680.db2.gz FCTZQCVONFELHG-YLJYHZDGSA-N 2 2 384.524 3.916 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000792254159 881018693 /nfs/dbraw/zinc/01/86/93/881018693.db2.gz FCTZQCVONFELHG-YLJYHZDGSA-N 2 2 384.524 3.916 20 0 GHADLP COc1c(Br)cccc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000187117895 881074878 /nfs/dbraw/zinc/07/48/78/881074878.db2.gz DQRUCWBCECCUQW-UHFFFAOYSA-N 2 2 386.293 3.992 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(-c2ccccc2)n[nH]1 ZINC000537621952 881098847 /nfs/dbraw/zinc/09/88/47/881098847.db2.gz MCGGGRPTEHRTPH-UHFFFAOYSA-N 3 2 395.595 3.705 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(-c2ccccc2)n[nH]1 ZINC000537621952 881098864 /nfs/dbraw/zinc/09/88/64/881098864.db2.gz MCGGGRPTEHRTPH-UHFFFAOYSA-N 3 2 395.595 3.705 20 0 GHADLP CSCc1ccccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000184747110 883365790 /nfs/dbraw/zinc/36/57/90/883365790.db2.gz KRODPABTQYDBSO-UHFFFAOYSA-N 2 2 390.597 3.621 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000551242351 883533890 /nfs/dbraw/zinc/53/38/90/883533890.db2.gz SUJYVMMJXRYYTE-KSSFIOAISA-N 2 2 387.337 3.815 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000551242351 883533899 /nfs/dbraw/zinc/53/38/99/883533899.db2.gz SUJYVMMJXRYYTE-KSSFIOAISA-N 2 2 387.337 3.815 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000643492952 912723111 /nfs/dbraw/zinc/72/31/11/912723111.db2.gz AMNBVMKZKDFPPV-WXFUMESZSA-N 3 2 398.595 3.510 20 0 GHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000551273445 883587015 /nfs/dbraw/zinc/58/70/15/883587015.db2.gz ZIEIJGPRZZVETP-HYBUGGRVSA-N 2 2 389.543 3.863 20 0 GHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000551273445 883587023 /nfs/dbraw/zinc/58/70/23/883587023.db2.gz ZIEIJGPRZZVETP-HYBUGGRVSA-N 2 2 389.543 3.863 20 0 GHADLP C[NH+]1CCC(CNC(=O)NCc2ccc(C3CCC3)cc2)([NH+]2CCCCC2)CC1 ZINC000494798191 883748456 /nfs/dbraw/zinc/74/84/56/883748456.db2.gz FDLGMOHTXBSWAD-UHFFFAOYSA-N 2 2 398.595 3.704 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cccn2)cc1 ZINC000551391790 883791229 /nfs/dbraw/zinc/79/12/29/883791229.db2.gz OKHMQSWIMJFYNC-GBXCKJPGSA-N 2 2 390.531 3.814 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cccn2)cc1 ZINC000551391790 883791239 /nfs/dbraw/zinc/79/12/39/883791239.db2.gz OKHMQSWIMJFYNC-GBXCKJPGSA-N 2 2 390.531 3.814 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc2c(c1)CCCC2 ZINC000495004399 884342236 /nfs/dbraw/zinc/34/22/36/884342236.db2.gz LUBCFJFHEJKWQW-FIKGOQFSSA-N 2 2 380.536 3.734 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc2c(c1)CCCC2 ZINC000495004399 884342255 /nfs/dbraw/zinc/34/22/55/884342255.db2.gz LUBCFJFHEJKWQW-FIKGOQFSSA-N 2 2 380.536 3.734 20 0 GHADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001170512160 884978604 /nfs/dbraw/zinc/97/86/04/884978604.db2.gz HFYKOYUGSKQJFP-FGZHOGPDSA-N 2 2 378.516 3.639 20 0 GHADLP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000303026704 885430022 /nfs/dbraw/zinc/43/00/22/885430022.db2.gz OKIOSQBJBZNLSN-PMACEKPBSA-N 2 2 382.527 3.816 20 0 GHADLP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000303026704 885430028 /nfs/dbraw/zinc/43/00/28/885430028.db2.gz OKIOSQBJBZNLSN-PMACEKPBSA-N 2 2 382.527 3.816 20 0 GHADLP [NH3+]C1CC[NH+](CCc2cn(-c3ccc(Cn4cc[nH+]c4)cc3)c3ccccc23)CC1 ZINC001170528322 885550366 /nfs/dbraw/zinc/55/03/66/885550366.db2.gz LLGFUXLLCGXDHJ-UHFFFAOYSA-N 3 2 399.542 3.841 20 0 GHADLP CN1CCO[C@@H]([C@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccc(Cl)cc2)C1 ZINC000131371740 885990808 /nfs/dbraw/zinc/99/08/08/885990808.db2.gz BSPREDMWZVNDKE-TZIWHRDSSA-N 2 2 388.943 3.589 20 0 GHADLP CC[C@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)C1(C(=O)OC)CCC1 ZINC000498934993 886171314 /nfs/dbraw/zinc/17/13/14/886171314.db2.gz UNOVESJKPRNHOW-QUCCMNQESA-N 2 2 388.552 3.598 20 0 GHADLP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000532589692 886203443 /nfs/dbraw/zinc/20/34/43/886203443.db2.gz LZWNKSQKUZKFTC-UHFFFAOYSA-N 2 2 393.531 3.662 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000532589692 886203459 /nfs/dbraw/zinc/20/34/59/886203459.db2.gz LZWNKSQKUZKFTC-UHFFFAOYSA-N 2 2 393.531 3.662 20 0 GHADLP Clc1ccc(-c2noc(CC[NH+]3CCC(Nc4cccc[nH+]4)CC3)n2)cc1 ZINC000556808432 886213639 /nfs/dbraw/zinc/21/36/39/886213639.db2.gz DNCNZXKLZVAPPK-UHFFFAOYSA-N 2 2 383.883 3.904 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cnn(-c2ccccc2)c1 ZINC000777256798 886351902 /nfs/dbraw/zinc/35/19/02/886351902.db2.gz RZIYMYPMVPOXCN-UTKZUKDTSA-N 2 2 376.508 3.581 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000105158916 886409657 /nfs/dbraw/zinc/40/96/57/886409657.db2.gz ZIYOGMQBYVDONR-HXUWFJFHSA-N 2 2 392.563 3.580 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000105158916 886409672 /nfs/dbraw/zinc/40/96/72/886409672.db2.gz ZIYOGMQBYVDONR-HXUWFJFHSA-N 2 2 392.563 3.580 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000119195846 886470763 /nfs/dbraw/zinc/47/07/63/886470763.db2.gz PFZVLWVZZQWMON-IBGZPJMESA-N 2 2 392.613 3.648 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H]1C ZINC000537615503 886634645 /nfs/dbraw/zinc/63/46/45/886634645.db2.gz WRYFCRKPZPLEPC-KXBFYZLASA-N 2 2 391.357 3.939 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H]1C ZINC000537615503 886634650 /nfs/dbraw/zinc/63/46/50/886634650.db2.gz WRYFCRKPZPLEPC-KXBFYZLASA-N 2 2 391.357 3.939 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H]1C ZINC000537615503 886634653 /nfs/dbraw/zinc/63/46/53/886634653.db2.gz WRYFCRKPZPLEPC-KXBFYZLASA-N 2 2 391.357 3.939 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H]1C ZINC000537615503 886634660 /nfs/dbraw/zinc/63/46/60/886634660.db2.gz WRYFCRKPZPLEPC-KXBFYZLASA-N 2 2 391.357 3.939 20 0 GHADLP Cc1ccc(F)c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000119497350 886738329 /nfs/dbraw/zinc/73/83/29/886738329.db2.gz DCEAWTWIOXKFDX-LEWJYISDSA-N 2 2 390.547 3.935 20 0 GHADLP Cc1ccc(F)c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000119497350 886738340 /nfs/dbraw/zinc/73/83/40/886738340.db2.gz DCEAWTWIOXKFDX-LEWJYISDSA-N 2 2 390.547 3.935 20 0 GHADLP c1cc2c(cccc2C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000236698256 886878940 /nfs/dbraw/zinc/87/89/40/886878940.db2.gz IXXCOICPWKXSAP-UHFFFAOYSA-N 2 2 376.548 3.856 20 0 GHADLP C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000915493048 887097931 /nfs/dbraw/zinc/09/79/31/887097931.db2.gz NFOBLRSLVAVUBU-XXBNENTESA-N 2 2 398.595 3.523 20 0 GHADLP CC[NH2+][C@H](C)c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000863667350 887276155 /nfs/dbraw/zinc/27/61/55/887276155.db2.gz LWDXQVCTHNDWEE-QGZVFWFLSA-N 2 2 392.503 3.906 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809588458 887596846 /nfs/dbraw/zinc/59/68/46/887596846.db2.gz ZMVLZYOAYOFQEX-HNNXBMFYSA-N 2 2 385.339 3.574 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809588458 887596853 /nfs/dbraw/zinc/59/68/53/887596853.db2.gz ZMVLZYOAYOFQEX-HNNXBMFYSA-N 2 2 385.339 3.574 20 0 GHADLP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)c(C)c[nH+]1 ZINC000536620084 887648801 /nfs/dbraw/zinc/64/88/01/887648801.db2.gz PBYXAYPNDNYRQP-UHFFFAOYSA-N 2 2 394.441 3.735 20 0 GHADLP Cc1[nH+]ccn1-c1cncc(NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)n1 ZINC001170586179 887732089 /nfs/dbraw/zinc/73/20/89/887732089.db2.gz QKJTZVWJRRYKRI-MRXNPFEDSA-N 2 2 391.306 3.992 20 0 GHADLP Cc1[nH+]ccn1-c1cc(NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)ncn1 ZINC001170585188 887752948 /nfs/dbraw/zinc/75/29/48/887752948.db2.gz IWNDHAMBZAFGSQ-MRXNPFEDSA-N 2 2 391.306 3.992 20 0 GHADLP C[C@H](c1ccccc1Cl)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051777834 887783389 /nfs/dbraw/zinc/78/33/89/887783389.db2.gz MBJYFVQEPSQBLN-MRXNPFEDSA-N 2 2 392.975 3.601 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000648899986 888203755 /nfs/dbraw/zinc/20/37/55/888203755.db2.gz DZKDYYRVJQCGCN-PKOBYXMFSA-N 2 2 380.492 3.637 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3c[nH]c4c3cccc4F)CC[C@@H]21 ZINC001137053589 888620671 /nfs/dbraw/zinc/62/06/71/888620671.db2.gz BOQURELUIISKMX-LZNRXBQRSA-N 2 2 395.526 3.877 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3c[nH]c4c3cccc4F)CC[C@@H]21 ZINC001137053589 888620679 /nfs/dbraw/zinc/62/06/79/888620679.db2.gz BOQURELUIISKMX-LZNRXBQRSA-N 2 2 395.526 3.877 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3c[nH]c4c3cccc4F)CC[C@@H]21 ZINC001137053589 888620689 /nfs/dbraw/zinc/62/06/89/888620689.db2.gz BOQURELUIISKMX-LZNRXBQRSA-N 2 2 395.526 3.877 20 0 GHADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3c[nH]c4c3cccc4F)CC[C@@H]21 ZINC001137053589 888620699 /nfs/dbraw/zinc/62/06/99/888620699.db2.gz BOQURELUIISKMX-LZNRXBQRSA-N 2 2 395.526 3.877 20 0 GHADLP Clc1ccccc1COc1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000729684623 888703088 /nfs/dbraw/zinc/70/30/88/888703088.db2.gz UQBFGHIGWZAPAH-FPOVZHCZSA-N 2 2 386.923 3.872 20 0 GHADLP Clc1ccccc1COc1cccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000729684623 888703102 /nfs/dbraw/zinc/70/31/02/888703102.db2.gz UQBFGHIGWZAPAH-FPOVZHCZSA-N 2 2 386.923 3.872 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](c3ccccn3)C(C)C)CC2)cc1 ZINC000866367905 888848467 /nfs/dbraw/zinc/84/84/67/888848467.db2.gz RBOHKZFDWLXONQ-HSZRJFAPSA-N 2 2 380.536 3.991 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C3CCC3)[C@H]3CCCO3)CC2)cc1 ZINC000866368305 888850897 /nfs/dbraw/zinc/85/08/97/888850897.db2.gz ZTRBXKMLWGZVJZ-PKTZIBPZSA-N 2 2 385.552 3.547 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(OC(F)(F)F)cc3)[nH+]c2)CC1 ZINC000532865683 889117351 /nfs/dbraw/zinc/11/73/51/889117351.db2.gz FRZGWVQPOQEVFZ-UHFFFAOYSA-N 2 2 394.441 3.545 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cc(Cl)cc4cccnc43)[nH+]c2)CC1 ZINC000532866581 889161974 /nfs/dbraw/zinc/16/19/74/889161974.db2.gz WYUIWGMIBVXVBZ-UHFFFAOYSA-N 2 2 395.938 3.848 20 0 GHADLP COc1cc2c(cc1C[NH2+]C1CC[NH+]([C@@H](C)c3ccncc3)CC1)O[C@H](C)C2 ZINC000533038450 889591164 /nfs/dbraw/zinc/59/11/64/889591164.db2.gz GCASSIAJIYXLCF-SJORKVTESA-N 2 2 381.520 3.729 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000533067488 889622956 /nfs/dbraw/zinc/62/29/56/889622956.db2.gz YAZTVGCSZPXIPT-RXVVDRJESA-N 2 2 390.487 3.978 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000533067488 889622959 /nfs/dbraw/zinc/62/29/59/889622959.db2.gz YAZTVGCSZPXIPT-RXVVDRJESA-N 2 2 390.487 3.978 20 0 GHADLP CN(C(=O)CCCc1ccccc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124794270 889764340 /nfs/dbraw/zinc/76/43/40/889764340.db2.gz AXVMJBINCBFNEZ-GOTSBHOMSA-N 2 2 385.596 3.805 20 0 GHADLP CN(C(=O)CCCc1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124794270 889764350 /nfs/dbraw/zinc/76/43/50/889764350.db2.gz AXVMJBINCBFNEZ-GOTSBHOMSA-N 2 2 385.596 3.805 20 0 GHADLP Cc1sc2nc([C@H](C)[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)nc(N)c2c1C ZINC000245952809 890068677 /nfs/dbraw/zinc/06/86/77/890068677.db2.gz CGFBFLMQPRJXNV-ZFWWWQNUSA-N 2 2 384.553 3.640 20 0 GHADLP Cc1sc2nc([C@H](C)[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)nc(N)c2c1C ZINC000245952809 890068691 /nfs/dbraw/zinc/06/86/91/890068691.db2.gz CGFBFLMQPRJXNV-ZFWWWQNUSA-N 2 2 384.553 3.640 20 0 GHADLP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccn(-c3cccn4cc[nH+]c34)c3nccc2-3)cc1 ZINC001170665304 890408199 /nfs/dbraw/zinc/40/81/99/890408199.db2.gz MOLZKAJCJRVKNP-OAHLLOKOSA-N 2 2 396.454 3.897 20 0 GHADLP [NH3+]C[C@@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)c1ccc(Br)cc1 ZINC001170672575 890496763 /nfs/dbraw/zinc/49/67/63/890496763.db2.gz ISKPLILCXCVBGU-MAUKXSAKSA-N 2 2 381.264 3.874 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2c[nH]c4c2cccc4F)CC3)cn1 ZINC001137054247 890580613 /nfs/dbraw/zinc/58/06/13/890580613.db2.gz PGEYWMQXMLGUGY-UHFFFAOYSA-N 2 2 381.499 3.671 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2c[nH]c4c2cccc4F)CC3)cn1 ZINC001137054247 890580622 /nfs/dbraw/zinc/58/06/22/890580622.db2.gz PGEYWMQXMLGUGY-UHFFFAOYSA-N 2 2 381.499 3.671 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1 ZINC000533543332 890806861 /nfs/dbraw/zinc/80/68/61/890806861.db2.gz USKVDOZREIOWKS-HXUWFJFHSA-N 2 2 397.567 3.850 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C[N@@H+]1Cc1ccccc1 ZINC000533578631 890889335 /nfs/dbraw/zinc/88/93/35/890889335.db2.gz KODAOLXEOUVJBT-HMXCVIKNSA-N 2 2 395.551 3.599 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C[N@H+]1Cc1ccccc1 ZINC000533578631 890889347 /nfs/dbraw/zinc/88/93/47/890889347.db2.gz KODAOLXEOUVJBT-HMXCVIKNSA-N 2 2 395.551 3.599 20 0 GHADLP CC[C@](O)(CCC(F)(F)F)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000897521385 890944009 /nfs/dbraw/zinc/94/40/09/890944009.db2.gz FQAJEADPJQGVFH-IBGZPJMESA-N 2 2 387.490 3.795 20 0 GHADLP COC(=O)Nc1ccc(CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000812834221 891018448 /nfs/dbraw/zinc/01/84/48/891018448.db2.gz ODJQSZBSLPKLNV-UHFFFAOYSA-N 2 2 396.535 3.732 20 0 GHADLP Cc1cc(C)c(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)[nH+]1 ZINC000455494694 891019860 /nfs/dbraw/zinc/01/98/60/891019860.db2.gz FBPPTKSIZAPDDE-LEWJYISDSA-N 2 2 378.520 3.993 20 0 GHADLP Cc1cc(C)c(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C)[nH+]1 ZINC000455494694 891019866 /nfs/dbraw/zinc/01/98/66/891019866.db2.gz FBPPTKSIZAPDDE-LEWJYISDSA-N 2 2 378.520 3.993 20 0 GHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(-n2ccnn2)cc1 ZINC000812839823 891027254 /nfs/dbraw/zinc/02/72/54/891027254.db2.gz JXHHKALBZAIQHP-GOSISDBHSA-N 2 2 390.535 3.653 20 0 GHADLP CN(C(=O)NCCCC1CCCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533665286 891074972 /nfs/dbraw/zinc/07/49/72/891074972.db2.gz WERLYGFZKSMSAY-VXKWHMMOSA-N 2 2 392.632 3.935 20 0 GHADLP CN(C(=O)NCCCC1CCCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533665286 891074982 /nfs/dbraw/zinc/07/49/82/891074982.db2.gz WERLYGFZKSMSAY-VXKWHMMOSA-N 2 2 392.632 3.935 20 0 GHADLP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000123955894 891157196 /nfs/dbraw/zinc/15/71/96/891157196.db2.gz GKMSCBAHNUSUFB-UHFFFAOYSA-N 3 2 380.580 3.963 20 0 GHADLP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000123955894 891157204 /nfs/dbraw/zinc/15/72/04/891157204.db2.gz GKMSCBAHNUSUFB-UHFFFAOYSA-N 3 2 380.580 3.963 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000246415096 891231400 /nfs/dbraw/zinc/23/14/00/891231400.db2.gz MTLWDGPDFQAGPZ-VGOFRKELSA-N 2 2 394.494 3.918 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000246415096 891231420 /nfs/dbraw/zinc/23/14/20/891231420.db2.gz MTLWDGPDFQAGPZ-VGOFRKELSA-N 2 2 394.494 3.918 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000246836334 891314564 /nfs/dbraw/zinc/31/45/64/891314564.db2.gz BYWDEQOCDIOIGL-HYBUGGRVSA-N 3 2 378.564 3.678 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000246836334 891314579 /nfs/dbraw/zinc/31/45/79/891314579.db2.gz BYWDEQOCDIOIGL-HYBUGGRVSA-N 3 2 378.564 3.678 20 0 GHADLP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1OC ZINC000248124289 891410696 /nfs/dbraw/zinc/41/06/96/891410696.db2.gz NSSWORRQLDNWKO-GHTZIAJQSA-N 2 2 397.563 3.877 20 0 GHADLP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1OC ZINC000248124289 891410701 /nfs/dbraw/zinc/41/07/01/891410701.db2.gz NSSWORRQLDNWKO-GHTZIAJQSA-N 2 2 397.563 3.877 20 0 GHADLP C[C@@H]1[C@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000614903673 891576206 /nfs/dbraw/zinc/57/62/06/891576206.db2.gz VMCCDEMXXXWDLP-STZQEDGTSA-N 2 2 388.515 3.711 20 0 GHADLP C[C@@H]1[C@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000614903673 891576216 /nfs/dbraw/zinc/57/62/16/891576216.db2.gz VMCCDEMXXXWDLP-STZQEDGTSA-N 2 2 388.515 3.711 20 0 GHADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@H]2CSCCc3ccccc32)c1 ZINC000162038982 892040487 /nfs/dbraw/zinc/04/04/87/892040487.db2.gz CZDDDPPXHNDLMN-QFIPXVFZSA-N 2 2 398.572 3.518 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000261648196 892057883 /nfs/dbraw/zinc/05/78/83/892057883.db2.gz ATVHVNRZKOXVFV-CMPLNLGQSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000261648196 892057897 /nfs/dbraw/zinc/05/78/97/892057897.db2.gz ATVHVNRZKOXVFV-CMPLNLGQSA-N 2 2 381.236 3.907 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000428700809 893327834 /nfs/dbraw/zinc/32/78/34/893327834.db2.gz PEOUVJNFFAYCLU-OAQYLSRUSA-N 2 2 397.567 3.704 20 0 GHADLP O=c1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc(-c2ccccc2)[nH]1 ZINC000459437497 893496965 /nfs/dbraw/zinc/49/69/65/893496965.db2.gz RRLDECCRXXQACR-SFHVURJKSA-N 2 2 389.503 3.762 20 0 GHADLP O=c1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc(-c2ccccc2)[nH]1 ZINC000459437497 893496972 /nfs/dbraw/zinc/49/69/72/893496972.db2.gz RRLDECCRXXQACR-SFHVURJKSA-N 2 2 389.503 3.762 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000459446635 893536160 /nfs/dbraw/zinc/53/61/60/893536160.db2.gz IKJGFIDDITVALZ-QHCPKHFHSA-N 3 2 375.520 3.895 20 0 GHADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000129526520 893562113 /nfs/dbraw/zinc/56/21/13/893562113.db2.gz NYOBYMGFHCGSEY-ZWKOTPCHSA-N 2 2 386.458 3.608 20 0 GHADLP CC(C)N1C(=O)C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000459492176 893662986 /nfs/dbraw/zinc/66/29/86/893662986.db2.gz YETDPSZSFXETAQ-PZJWPPBQSA-N 2 2 393.934 3.746 20 0 GHADLP FC(F)(F)c1ccc(O[C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)nc1 ZINC000536745631 893685059 /nfs/dbraw/zinc/68/50/59/893685059.db2.gz CJMVHPAXOKFYAZ-GOSISDBHSA-N 2 2 388.393 3.939 20 0 GHADLP FC(F)(F)c1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)nc1 ZINC000536745631 893685072 /nfs/dbraw/zinc/68/50/72/893685072.db2.gz CJMVHPAXOKFYAZ-GOSISDBHSA-N 2 2 388.393 3.939 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1OCC(F)F ZINC000536835870 893909074 /nfs/dbraw/zinc/90/90/74/893909074.db2.gz ZNPFHAHDBXHVAN-APWZRJJASA-N 2 2 375.463 3.726 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1OCC(F)F ZINC000536835870 893909076 /nfs/dbraw/zinc/90/90/76/893909076.db2.gz ZNPFHAHDBXHVAN-APWZRJJASA-N 2 2 375.463 3.726 20 0 GHADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccccc1SC(C)(C)C ZINC000815580692 894020682 /nfs/dbraw/zinc/02/06/82/894020682.db2.gz PCUGYVYOEAUFCZ-RBUKOAKNSA-N 2 2 391.625 3.634 20 0 GHADLP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000645412477 913883595 /nfs/dbraw/zinc/88/35/95/913883595.db2.gz SAVBQDVLWAZIRN-VTZPFEBOSA-N 2 2 392.591 3.622 20 0 GHADLP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000645412477 913883607 /nfs/dbraw/zinc/88/36/07/913883607.db2.gz SAVBQDVLWAZIRN-VTZPFEBOSA-N 2 2 392.591 3.622 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000564320113 894861442 /nfs/dbraw/zinc/86/14/42/894861442.db2.gz VGWNIKBSUMPFDZ-UHFFFAOYSA-N 2 2 388.313 3.866 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000564320113 894861452 /nfs/dbraw/zinc/86/14/52/894861452.db2.gz VGWNIKBSUMPFDZ-UHFFFAOYSA-N 2 2 388.313 3.866 20 0 GHADLP O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1ccco1 ZINC000817274652 895459365 /nfs/dbraw/zinc/45/93/65/895459365.db2.gz PAYFLVVOKUSSQS-XZOQPEGZSA-N 2 2 398.547 3.980 20 0 GHADLP O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1ccco1 ZINC000817274652 895459375 /nfs/dbraw/zinc/45/93/75/895459375.db2.gz PAYFLVVOKUSSQS-XZOQPEGZSA-N 2 2 398.547 3.980 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)nc1C1CC1 ZINC000565391754 895587098 /nfs/dbraw/zinc/58/70/98/895587098.db2.gz XHGIBQGPZCRHQU-IERDGZPVSA-N 2 2 385.552 3.878 20 0 GHADLP Cc1cccc([C@H]2CCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000565514450 895690570 /nfs/dbraw/zinc/69/05/70/895690570.db2.gz ZVPUZIJAWSVBTK-JOCHJYFZSA-N 2 2 392.547 3.574 20 0 GHADLP Cc1cccc([C@H]2CCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000565514450 895690577 /nfs/dbraw/zinc/69/05/77/895690577.db2.gz ZVPUZIJAWSVBTK-JOCHJYFZSA-N 2 2 392.547 3.574 20 0 GHADLP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cc(Br)ncc1F ZINC000817984569 895992601 /nfs/dbraw/zinc/99/26/01/895992601.db2.gz UJBMMJXILFUJIS-SYSDIAMWSA-N 2 2 382.321 3.787 20 0 GHADLP CC(C)([NH3+])c1noc(C[NH2+]C2(c3cccc(Br)c3)CCCCC2)n1 ZINC000566010272 896046085 /nfs/dbraw/zinc/04/60/85/896046085.db2.gz IBHQAVSGSISMCS-UHFFFAOYSA-N 2 2 393.329 3.975 20 0 GHADLP CC1(C)CC[C@@H](C[NH+]2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)O1 ZINC001170891684 896077695 /nfs/dbraw/zinc/07/76/95/896077695.db2.gz FJYGVONTVPVTSN-NRFANRHFSA-N 2 2 391.987 3.884 20 0 GHADLP COC(=O)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H]1c1ccccc1 ZINC001170891532 896077814 /nfs/dbraw/zinc/07/78/14/896077814.db2.gz AMMYMIMMXGBSDD-FGZHOGPDSA-N 2 2 375.472 3.569 20 0 GHADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H]1c1ccccc1 ZINC001170891532 896077824 /nfs/dbraw/zinc/07/78/24/896077824.db2.gz AMMYMIMMXGBSDD-FGZHOGPDSA-N 2 2 375.472 3.569 20 0 GHADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566245560 896196378 /nfs/dbraw/zinc/19/63/78/896196378.db2.gz VEQWWQGYVZKIAS-SFHVURJKSA-N 2 2 387.568 3.559 20 0 GHADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566245560 896196387 /nfs/dbraw/zinc/19/63/87/896196387.db2.gz VEQWWQGYVZKIAS-SFHVURJKSA-N 2 2 387.568 3.559 20 0 GHADLP CC1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC001136249661 896886658 /nfs/dbraw/zinc/88/66/58/896886658.db2.gz ZSLJDMDVYLWGAE-NRFANRHFSA-N 2 2 397.588 3.696 20 0 GHADLP CC1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC001136249661 896886667 /nfs/dbraw/zinc/88/66/67/896886667.db2.gz ZSLJDMDVYLWGAE-NRFANRHFSA-N 2 2 397.588 3.696 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000819893293 897035518 /nfs/dbraw/zinc/03/55/18/897035518.db2.gz UCHROEODEMVRRT-XVAXZDLZSA-N 2 2 380.536 3.845 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000130409953 897079609 /nfs/dbraw/zinc/07/96/09/897079609.db2.gz JXMXQMAGQQUGHW-UHFFFAOYSA-N 2 2 389.547 3.739 20 0 GHADLP CC(C)C[C@H](C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)n1cc[nH+]c1 ZINC000820159449 897201554 /nfs/dbraw/zinc/20/15/54/897201554.db2.gz ZOKIHYVKBVHFHP-JOCHJYFZSA-N 2 2 397.567 3.887 20 0 GHADLP C[NH+]1CCC(CCO)([NH2+]Cc2cc(F)ccc2Oc2cncc(Cl)c2)CC1 ZINC000883152620 897326434 /nfs/dbraw/zinc/32/64/34/897326434.db2.gz BIEVWAIQXCPNPE-UHFFFAOYSA-N 2 2 393.890 3.603 20 0 GHADLP Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)c1 ZINC000567990688 897525349 /nfs/dbraw/zinc/52/53/49/897525349.db2.gz WYTOTDLHICMFOC-QXAKKESOSA-N 2 2 398.576 3.500 20 0 GHADLP Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)c1 ZINC000567990688 897525365 /nfs/dbraw/zinc/52/53/65/897525365.db2.gz WYTOTDLHICMFOC-QXAKKESOSA-N 2 2 398.576 3.500 20 0 GHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000883386873 897550115 /nfs/dbraw/zinc/55/01/15/897550115.db2.gz OEBISDHYZUFWNV-UTKZUKDTSA-N 2 2 376.460 3.932 20 0 GHADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001136378206 897550676 /nfs/dbraw/zinc/55/06/76/897550676.db2.gz CDUIFYWXKBHJGY-IIMDRIAPSA-N 2 2 391.987 3.787 20 0 GHADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001136378206 897550687 /nfs/dbraw/zinc/55/06/87/897550687.db2.gz CDUIFYWXKBHJGY-IIMDRIAPSA-N 2 2 391.987 3.787 20 0 GHADLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001136378206 897550696 /nfs/dbraw/zinc/55/06/96/897550696.db2.gz CDUIFYWXKBHJGY-IIMDRIAPSA-N 2 2 391.987 3.787 20 0 GHADLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001136378206 897550705 /nfs/dbraw/zinc/55/07/05/897550705.db2.gz CDUIFYWXKBHJGY-IIMDRIAPSA-N 2 2 391.987 3.787 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000568144388 897634215 /nfs/dbraw/zinc/63/42/15/897634215.db2.gz IHJCVUZSQHMMOY-FPOVZHCZSA-N 2 2 389.503 3.853 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000568144388 897634222 /nfs/dbraw/zinc/63/42/22/897634222.db2.gz IHJCVUZSQHMMOY-FPOVZHCZSA-N 2 2 389.503 3.853 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](CCc2cccs2)CC1)c1ccccc1 ZINC001136404206 897689339 /nfs/dbraw/zinc/68/93/39/897689339.db2.gz RZIWJAWDVGJMTN-OAQYLSRUSA-N 2 2 385.577 3.518 20 0 GHADLP C[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000568409605 897816440 /nfs/dbraw/zinc/81/64/40/897816440.db2.gz MXFVOYDQGUDUGC-APWZRJJASA-N 2 2 397.485 3.546 20 0 GHADLP C[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000568409605 897816450 /nfs/dbraw/zinc/81/64/50/897816450.db2.gz MXFVOYDQGUDUGC-APWZRJJASA-N 2 2 397.485 3.546 20 0 GHADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001136464981 897971808 /nfs/dbraw/zinc/97/18/08/897971808.db2.gz BGOOUHCWEGQPGT-FCHUYYIVSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001136464981 897971813 /nfs/dbraw/zinc/97/18/13/897971813.db2.gz BGOOUHCWEGQPGT-FCHUYYIVSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001136464981 897971825 /nfs/dbraw/zinc/97/18/25/897971825.db2.gz BGOOUHCWEGQPGT-FCHUYYIVSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001136464981 897971836 /nfs/dbraw/zinc/97/18/36/897971836.db2.gz BGOOUHCWEGQPGT-FCHUYYIVSA-N 2 2 389.559 3.951 20 0 GHADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000568742851 898075935 /nfs/dbraw/zinc/07/59/35/898075935.db2.gz IXLJJRFZFQVJKQ-RLLQIKCJSA-N 2 2 381.495 3.607 20 0 GHADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000568742851 898075951 /nfs/dbraw/zinc/07/59/51/898075951.db2.gz IXLJJRFZFQVJKQ-RLLQIKCJSA-N 2 2 381.495 3.607 20 0 GHADLP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000568742851 898075964 /nfs/dbraw/zinc/07/59/64/898075964.db2.gz IXLJJRFZFQVJKQ-RLLQIKCJSA-N 2 2 381.495 3.607 20 0 GHADLP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000568742851 898075977 /nfs/dbraw/zinc/07/59/77/898075977.db2.gz IXLJJRFZFQVJKQ-RLLQIKCJSA-N 2 2 381.495 3.607 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000509514068 898245109 /nfs/dbraw/zinc/24/51/09/898245109.db2.gz BKOSEDGUUWARAD-IBGZPJMESA-N 2 2 397.592 3.742 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000509514068 898245118 /nfs/dbraw/zinc/24/51/18/898245118.db2.gz BKOSEDGUUWARAD-IBGZPJMESA-N 2 2 397.592 3.742 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000509514068 898245133 /nfs/dbraw/zinc/24/51/33/898245133.db2.gz BKOSEDGUUWARAD-IBGZPJMESA-N 2 2 397.592 3.742 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000509514068 898245148 /nfs/dbraw/zinc/24/51/48/898245148.db2.gz BKOSEDGUUWARAD-IBGZPJMESA-N 2 2 397.592 3.742 20 0 GHADLP C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001136677145 898846801 /nfs/dbraw/zinc/84/68/01/898846801.db2.gz FPDBSZBFZHMZLZ-HXUWFJFHSA-N 2 2 391.559 3.556 20 0 GHADLP C[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)[NH+]1CCc2ccccc2C1 ZINC001136677145 898846817 /nfs/dbraw/zinc/84/68/17/898846817.db2.gz FPDBSZBFZHMZLZ-HXUWFJFHSA-N 2 2 391.559 3.556 20 0 GHADLP C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)[NH+]1CCc2ccccc2C1 ZINC001136677145 898846826 /nfs/dbraw/zinc/84/68/26/898846826.db2.gz FPDBSZBFZHMZLZ-HXUWFJFHSA-N 2 2 391.559 3.556 20 0 GHADLP C[C@@H]1C[C@H](C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000823684368 899185730 /nfs/dbraw/zinc/18/57/30/899185730.db2.gz UOUOGIUMRBHZHB-KURKYZTESA-N 2 2 378.561 3.923 20 0 GHADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000570524889 899360734 /nfs/dbraw/zinc/36/07/34/899360734.db2.gz APGNGWCHJRTPEH-LJQANCHMSA-N 2 2 395.547 3.825 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(SC(F)(F)F)nc1 ZINC001136818897 899372543 /nfs/dbraw/zinc/37/25/43/899372543.db2.gz LRBIBHYEXVSKHM-UHFFFAOYSA-N 2 2 379.367 3.835 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(OCc2cccnc2)c1 ZINC000646243363 914348980 /nfs/dbraw/zinc/34/89/80/914348980.db2.gz NSDWBQDOYNAJOA-QHCPKHFHSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(OCc2cccnc2)c1 ZINC000646243363 914348987 /nfs/dbraw/zinc/34/89/87/914348987.db2.gz NSDWBQDOYNAJOA-QHCPKHFHSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(OCc2cccnc2)c1 ZINC000646243363 914349000 /nfs/dbraw/zinc/34/90/00/914349000.db2.gz NSDWBQDOYNAJOA-QHCPKHFHSA-N 2 2 381.520 3.587 20 0 GHADLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(OCc2cccnc2)c1 ZINC000646243363 914349004 /nfs/dbraw/zinc/34/90/04/914349004.db2.gz NSDWBQDOYNAJOA-QHCPKHFHSA-N 2 2 381.520 3.587 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)cn1)CC2 ZINC001136926727 899780076 /nfs/dbraw/zinc/78/00/76/899780076.db2.gz KNTCSNCPLYOYBK-GOSISDBHSA-N 2 2 375.900 3.584 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)cn1)CC2 ZINC001136926727 899780085 /nfs/dbraw/zinc/78/00/85/899780085.db2.gz KNTCSNCPLYOYBK-GOSISDBHSA-N 2 2 375.900 3.584 20 0 GHADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(F)cc1 ZINC000333014995 899893680 /nfs/dbraw/zinc/89/36/80/899893680.db2.gz GREHZLONQOXYNE-SJORKVTESA-N 2 2 398.526 3.804 20 0 GHADLP Cc1ccc2c(C[NH+]3CCC4(CCC[N@H+]4Cc4cnn(C)c4)CC3)c[nH]c2c1 ZINC001136971831 899926885 /nfs/dbraw/zinc/92/68/85/899926885.db2.gz RJCVSVIGUUDEEK-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP Cc1ccc2c(C[NH+]3CCC4(CCC[N@@H+]4Cc4cnn(C)c4)CC3)c[nH]c2c1 ZINC001136971831 899926889 /nfs/dbraw/zinc/92/68/89/899926889.db2.gz RJCVSVIGUUDEEK-UHFFFAOYSA-N 2 2 377.536 3.840 20 0 GHADLP CCCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825268667 900063326 /nfs/dbraw/zinc/06/33/26/900063326.db2.gz XSKYWPGVTSYCOF-GHTZIAJQSA-N 2 2 382.556 3.780 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(Br)c(C)cn2)CC1 ZINC001143654990 900296535 /nfs/dbraw/zinc/29/65/35/900296535.db2.gz NATIITYCSHDUAL-UHFFFAOYSA-N 2 2 375.314 3.595 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000289948606 914443480 /nfs/dbraw/zinc/44/34/80/914443480.db2.gz ZVSYCMZHESRLCI-GOSISDBHSA-N 2 2 387.549 3.579 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000289948606 914443491 /nfs/dbraw/zinc/44/34/91/914443491.db2.gz ZVSYCMZHESRLCI-GOSISDBHSA-N 2 2 387.549 3.579 20 0 GHADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000573397916 900494704 /nfs/dbraw/zinc/49/47/04/900494704.db2.gz KJKRRGNGNIVFCQ-NVXWUHKLSA-N 2 2 384.549 3.758 20 0 GHADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000573397916 900494707 /nfs/dbraw/zinc/49/47/07/900494707.db2.gz KJKRRGNGNIVFCQ-NVXWUHKLSA-N 2 2 384.549 3.758 20 0 GHADLP C[NH2+]Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3C[N@@H+]2Cc2ccccc2)cc1 ZINC001186312365 914464637 /nfs/dbraw/zinc/46/46/37/914464637.db2.gz KSXUOHZYUADLNB-DEOSSOPVSA-N 2 2 385.511 3.972 20 0 GHADLP C[NH2+]Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3C[N@H+]2Cc2ccccc2)cc1 ZINC001186312365 914464647 /nfs/dbraw/zinc/46/46/47/914464647.db2.gz KSXUOHZYUADLNB-DEOSSOPVSA-N 2 2 385.511 3.972 20 0 GHADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000290020416 914483697 /nfs/dbraw/zinc/48/36/97/914483697.db2.gz RAAZFIYGMKHQST-GOTSBHOMSA-N 2 2 388.515 3.603 20 0 GHADLP O=C(NCCc1cccs1)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000072073507 901182182 /nfs/dbraw/zinc/18/21/82/901182182.db2.gz LVAGSUPBQXGLGQ-UHFFFAOYSA-N 2 2 394.544 3.505 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886664144 901213424 /nfs/dbraw/zinc/21/34/24/901213424.db2.gz CNMRSSUAUXWBIN-AWEZNQCLSA-N 2 2 390.915 3.895 20 0 GHADLP C[N@H+](Cc1ccc(Br)c(Br)c1)C1CC[NH+](C)CC1 ZINC001144205913 901287962 /nfs/dbraw/zinc/28/79/62/901287962.db2.gz QANJMDZLIWJXNL-UHFFFAOYSA-N 2 2 376.136 3.738 20 0 GHADLP C[N@@H+](Cc1ccc(Br)c(Br)c1)C1CC[NH+](C)CC1 ZINC001144205913 901287974 /nfs/dbraw/zinc/28/79/74/901287974.db2.gz QANJMDZLIWJXNL-UHFFFAOYSA-N 2 2 376.136 3.738 20 0 GHADLP Cc1cc(C)c(NC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c(C)[nH+]1 ZINC000575840637 901366066 /nfs/dbraw/zinc/36/60/66/901366066.db2.gz HPDWHRWIRYUNFQ-LJQANCHMSA-N 2 2 384.549 3.746 20 0 GHADLP Cc1cc(C)c(NC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c(C)[nH+]1 ZINC000575840637 901366075 /nfs/dbraw/zinc/36/60/75/901366075.db2.gz HPDWHRWIRYUNFQ-LJQANCHMSA-N 2 2 384.549 3.746 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1OCc1ccncc1 ZINC000093597138 901555588 /nfs/dbraw/zinc/55/55/88/901555588.db2.gz BPEMIMFZBGNVGY-OAQYLSRUSA-N 2 2 381.520 3.587 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1OCc1ccncc1 ZINC000093597138 901555602 /nfs/dbraw/zinc/55/56/02/901555602.db2.gz BPEMIMFZBGNVGY-OAQYLSRUSA-N 2 2 381.520 3.587 20 0 GHADLP CN(C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)[C@H]1CCCc2ccccc21 ZINC000576381218 901985753 /nfs/dbraw/zinc/98/57/53/901985753.db2.gz VNHOUSSMACNCFI-QHCPKHFHSA-N 2 2 394.563 3.911 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000576553684 902093313 /nfs/dbraw/zinc/09/33/13/902093313.db2.gz YNVWGUQWBDHBIU-HUVFLSCGSA-N 2 2 391.559 3.660 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000576553684 902093320 /nfs/dbraw/zinc/09/33/20/902093320.db2.gz YNVWGUQWBDHBIU-HUVFLSCGSA-N 2 2 391.559 3.660 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000576553684 902093329 /nfs/dbraw/zinc/09/33/29/902093329.db2.gz YNVWGUQWBDHBIU-HUVFLSCGSA-N 2 2 391.559 3.660 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000576553684 902093340 /nfs/dbraw/zinc/09/33/40/902093340.db2.gz YNVWGUQWBDHBIU-HUVFLSCGSA-N 2 2 391.559 3.660 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000576553681 902093477 /nfs/dbraw/zinc/09/34/77/902093477.db2.gz YNVWGUQWBDHBIU-AGILITTLSA-N 2 2 391.559 3.660 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000576553681 902093486 /nfs/dbraw/zinc/09/34/86/902093486.db2.gz YNVWGUQWBDHBIU-AGILITTLSA-N 2 2 391.559 3.660 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000576553681 902093495 /nfs/dbraw/zinc/09/34/95/902093495.db2.gz YNVWGUQWBDHBIU-AGILITTLSA-N 2 2 391.559 3.660 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000576553681 902093499 /nfs/dbraw/zinc/09/34/99/902093499.db2.gz YNVWGUQWBDHBIU-AGILITTLSA-N 2 2 391.559 3.660 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@H](Nc3ccc(N4CCOCC4)c[nH+]3)CC23CC3)cc1 ZINC000577109739 902508154 /nfs/dbraw/zinc/50/81/54/902508154.db2.gz LXSVDCMHSQPFKW-HXUWFJFHSA-N 2 2 378.520 3.527 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@H](Nc3ccc(N4CCOCC4)c[nH+]3)CC23CC3)cc1 ZINC000577109739 902508164 /nfs/dbraw/zinc/50/81/64/902508164.db2.gz LXSVDCMHSQPFKW-HXUWFJFHSA-N 2 2 378.520 3.527 20 0 GHADLP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001144669262 902594776 /nfs/dbraw/zinc/59/47/76/902594776.db2.gz NUCNLTDHDPLLJU-PCCBWWKXSA-N 2 2 379.548 3.628 20 0 GHADLP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001144669262 902594788 /nfs/dbraw/zinc/59/47/88/902594788.db2.gz NUCNLTDHDPLLJU-PCCBWWKXSA-N 2 2 379.548 3.628 20 0 GHADLP C[C@@H]1[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001144669262 902594803 /nfs/dbraw/zinc/59/48/03/902594803.db2.gz NUCNLTDHDPLLJU-PCCBWWKXSA-N 2 2 379.548 3.628 20 0 GHADLP C[C@@H]1[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001144669262 902594813 /nfs/dbraw/zinc/59/48/13/902594813.db2.gz NUCNLTDHDPLLJU-PCCBWWKXSA-N 2 2 379.548 3.628 20 0 GHADLP O=C(C[N@@H+]1CCCC2(CCCCC2)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000600747108 902868326 /nfs/dbraw/zinc/86/83/26/902868326.db2.gz BXEWDHMIMNFXNX-UHFFFAOYSA-N 2 2 385.552 3.504 20 0 GHADLP O=C(C[N@H+]1CCCC2(CCCCC2)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000600747108 902868337 /nfs/dbraw/zinc/86/83/37/902868337.db2.gz BXEWDHMIMNFXNX-UHFFFAOYSA-N 2 2 385.552 3.504 20 0 GHADLP COc1cc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc(OC)c1OC ZINC000290525560 914717929 /nfs/dbraw/zinc/71/79/29/914717929.db2.gz QHGAHNAUEMJUTO-UHFFFAOYSA-N 2 2 384.520 3.809 20 0 GHADLP COc1cc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc(OC)c1OC ZINC000290525560 914717935 /nfs/dbraw/zinc/71/79/35/914717935.db2.gz QHGAHNAUEMJUTO-UHFFFAOYSA-N 2 2 384.520 3.809 20 0 GHADLP Cc1c(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)sc2nc(C)nc(C)c12 ZINC000772963668 903449219 /nfs/dbraw/zinc/44/92/19/903449219.db2.gz GPDAGHJRJPEOAH-KRWDZBQOSA-N 2 2 396.564 3.764 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)CC2)cc1 ZINC000773141693 904478561 /nfs/dbraw/zinc/47/85/61/904478561.db2.gz ULDXCQDNTDCHJA-AQNXPRMDSA-N 2 2 377.623 3.691 20 0 GHADLP CN(CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)Cc1ccc(F)cc1 ZINC000160130132 904774460 /nfs/dbraw/zinc/77/44/60/904774460.db2.gz XCLPKXXNOGHXDX-UHFFFAOYSA-N 2 2 384.543 3.582 20 0 GHADLP CC1(C)C[C@H](N2CC[NH+](Cc3ccncc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171980034 905227641 /nfs/dbraw/zinc/22/76/41/905227641.db2.gz CUGSZTBPXYBXCO-HSZRJFAPSA-N 2 2 378.564 3.642 20 0 GHADLP CC1(C)C[C@H](N2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171980034 905227653 /nfs/dbraw/zinc/22/76/53/905227653.db2.gz CUGSZTBPXYBXCO-HSZRJFAPSA-N 2 2 378.564 3.642 20 0 GHADLP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172054377 905254903 /nfs/dbraw/zinc/25/49/03/905254903.db2.gz WUYOPTBDQQFIBI-QGZVFWFLSA-N 2 2 376.545 3.655 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC1)C2 ZINC001172123574 905384086 /nfs/dbraw/zinc/38/40/86/905384086.db2.gz DZUSZYLZTWQKQS-REPLKXPHSA-N 2 2 397.485 3.718 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC1)C2 ZINC001172123574 905384104 /nfs/dbraw/zinc/38/41/04/905384104.db2.gz DZUSZYLZTWQKQS-REPLKXPHSA-N 2 2 397.485 3.718 20 0 GHADLP C[C@@H]1CC[C@H]([NH+]2CCC([N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)C[C@@H]1C ZINC001172384762 905542164 /nfs/dbraw/zinc/54/21/64/905542164.db2.gz WGMRFJXISAKQRX-LXZJYRNTSA-N 2 2 379.589 3.875 20 0 GHADLP C[C@@H]1CC[C@H]([NH+]2CCC([N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)C[C@@H]1C ZINC001172384762 905542169 /nfs/dbraw/zinc/54/21/69/905542169.db2.gz WGMRFJXISAKQRX-LXZJYRNTSA-N 2 2 379.589 3.875 20 0 GHADLP CC(C)COCC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001172467570 905579654 /nfs/dbraw/zinc/57/96/54/905579654.db2.gz LUJWGPAOENHYMQ-ICSRJNTNSA-N 2 2 397.604 3.501 20 0 GHADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172540949 905642908 /nfs/dbraw/zinc/64/29/08/905642908.db2.gz LSKKDNNEUCQPEZ-WXFUMESZSA-N 2 2 386.580 3.774 20 0 GHADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172540949 905642913 /nfs/dbraw/zinc/64/29/13/905642913.db2.gz LSKKDNNEUCQPEZ-WXFUMESZSA-N 2 2 386.580 3.774 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172540949 905642922 /nfs/dbraw/zinc/64/29/22/905642922.db2.gz LSKKDNNEUCQPEZ-WXFUMESZSA-N 2 2 386.580 3.774 20 0 GHADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172540949 905642926 /nfs/dbraw/zinc/64/29/26/905642926.db2.gz LSKKDNNEUCQPEZ-WXFUMESZSA-N 2 2 386.580 3.774 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cs1 ZINC001172708812 905792309 /nfs/dbraw/zinc/79/23/09/905792309.db2.gz FHZVGYPSNYJCIA-INIZCTEOSA-N 2 2 381.998 3.848 20 0 GHADLP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001172806021 905879002 /nfs/dbraw/zinc/87/90/02/905879002.db2.gz FKCKQWVAZQRQKQ-YLJYHZDGSA-N 2 2 376.516 3.844 20 0 GHADLP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001172806021 905879011 /nfs/dbraw/zinc/87/90/11/905879011.db2.gz FKCKQWVAZQRQKQ-YLJYHZDGSA-N 2 2 376.516 3.844 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc2ccccc2n1 ZINC000178002784 906264129 /nfs/dbraw/zinc/26/41/29/906264129.db2.gz WBLMQKVSAOHQQL-LJQANCHMSA-N 2 2 391.515 3.797 20 0 GHADLP c1ccc(OC2CCC([NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)CC2)cc1 ZINC001173200334 906285076 /nfs/dbraw/zinc/28/50/76/906285076.db2.gz LIZBNBZAIIOPDO-XIXYPUAESA-N 2 2 377.532 3.835 20 0 GHADLP C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178199325 906308412 /nfs/dbraw/zinc/30/84/12/906308412.db2.gz KYYAYFZIRHNYKY-HUUCEWRRSA-N 2 2 387.480 3.827 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)cc1 ZINC001173720670 906670701 /nfs/dbraw/zinc/67/07/01/906670701.db2.gz HCOYWOFNAIZLSI-ROUUACIJSA-N 2 2 398.551 3.518 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)cc1 ZINC001173720670 906670704 /nfs/dbraw/zinc/67/07/04/906670704.db2.gz HCOYWOFNAIZLSI-ROUUACIJSA-N 2 2 398.551 3.518 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)cc1 ZINC001173720670 906670708 /nfs/dbraw/zinc/67/07/08/906670708.db2.gz HCOYWOFNAIZLSI-ROUUACIJSA-N 2 2 398.551 3.518 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)cc1 ZINC001173720670 906670711 /nfs/dbraw/zinc/67/07/11/906670711.db2.gz HCOYWOFNAIZLSI-ROUUACIJSA-N 2 2 398.551 3.518 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000779403829 906789792 /nfs/dbraw/zinc/78/97/92/906789792.db2.gz JAHIINQXOAJVQK-PKOBYXMFSA-N 2 2 397.604 3.644 20 0 GHADLP c1ccc(C[N@H+]2CCC=C(Nc3cccc(OCC[NH+]4CCOCC4)c3)C2)cc1 ZINC001174396621 907002320 /nfs/dbraw/zinc/00/23/20/907002320.db2.gz KQZRUNVXHKZEBH-UHFFFAOYSA-N 2 2 393.531 3.599 20 0 GHADLP c1ccc(C[N@@H+]2CCC=C(Nc3cccc(OCC[NH+]4CCOCC4)c3)C2)cc1 ZINC001174396621 907002337 /nfs/dbraw/zinc/00/23/37/907002337.db2.gz KQZRUNVXHKZEBH-UHFFFAOYSA-N 2 2 393.531 3.599 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000181593813 907034220 /nfs/dbraw/zinc/03/42/20/907034220.db2.gz KRKNYZIOXYVNAO-MSOLQXFVSA-N 2 2 394.519 3.914 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@]2(C)C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@]2(C)C1 ZINC001175044463 907353002 /nfs/dbraw/zinc/35/30/02/907353002.db2.gz GQLSKEQWVLSLEO-ZRZAMGCNSA-N 2 2 396.535 3.951 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@]2(C)C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@]2(C)C1 ZINC001175044463 907353019 /nfs/dbraw/zinc/35/30/19/907353019.db2.gz GQLSKEQWVLSLEO-ZRZAMGCNSA-N 2 2 396.535 3.951 20 0 GHADLP CC(C)CC(=O)N1CCC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001175569425 907641480 /nfs/dbraw/zinc/64/14/80/907641480.db2.gz NIWQYBMQSIGXSJ-UHFFFAOYSA-N 2 2 399.623 3.912 20 0 GHADLP CC(C)CC(=O)N1CCC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001175569425 907641484 /nfs/dbraw/zinc/64/14/84/907641484.db2.gz NIWQYBMQSIGXSJ-UHFFFAOYSA-N 2 2 399.623 3.912 20 0 GHADLP O=C1Nc2ccccc2S[C@@H]1CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001175678255 907688841 /nfs/dbraw/zinc/68/88/41/907688841.db2.gz OAZZWCJUZUFTGW-AZUAARDMSA-N 2 2 378.501 3.717 20 0 GHADLP COCCCN(c1ccc(OCC[NH+]2CCCCC2)cc1)c1[nH+]cccc1N ZINC001175796072 907751356 /nfs/dbraw/zinc/75/13/56/907751356.db2.gz BTTLHSJICLHWIY-UHFFFAOYSA-N 2 2 384.524 3.703 20 0 GHADLP CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)CC1 ZINC000299480362 921362227 /nfs/dbraw/zinc/36/22/27/921362227.db2.gz JZPONOAZBZVDKI-NRFANRHFSA-N 2 2 380.536 3.516 20 0 GHADLP C[NH+]1CCC(c2ccc(NC(=O)[C@@H]3CCCN(c4cccc[nH+]4)C3)cc2)CC1 ZINC001176963825 908330290 /nfs/dbraw/zinc/33/02/90/908330290.db2.gz AVHKYRKEJCMKID-HXUWFJFHSA-N 2 2 378.520 3.746 20 0 GHADLP Cn1cc(-c2nc(C[N@@H+]3CCC[C@@H](c4c[nH+]cn4C(C)(C)C)C3)cs2)cn1 ZINC001176984884 908348273 /nfs/dbraw/zinc/34/82/73/908348273.db2.gz NOCOOMRLUMMYEM-OAHLLOKOSA-N 2 2 384.553 3.875 20 0 GHADLP Cn1cc(-c2nc(C[N@H+]3CCC[C@@H](c4c[nH+]cn4C(C)(C)C)C3)cs2)cn1 ZINC001176984884 908348291 /nfs/dbraw/zinc/34/82/91/908348291.db2.gz NOCOOMRLUMMYEM-OAHLLOKOSA-N 2 2 384.553 3.875 20 0 GHADLP CCc1cc(OC)ccc1C[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC001177163127 908440810 /nfs/dbraw/zinc/44/08/10/908440810.db2.gz VRJMXKYISHIMPY-UHFFFAOYSA-N 2 2 381.564 3.868 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cn(Cc3ccccc3)nn2)C1 ZINC001177262270 908505964 /nfs/dbraw/zinc/50/59/64/908505964.db2.gz RZWLZIFPFDJWCV-HXUWFJFHSA-N 2 2 389.547 3.848 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cn(Cc3ccccc3)nn2)C1 ZINC001177262270 908505971 /nfs/dbraw/zinc/50/59/71/908505971.db2.gz RZWLZIFPFDJWCV-HXUWFJFHSA-N 2 2 389.547 3.848 20 0 GHADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3cccc4n[nH]cc43)CC2)c1 ZINC001177708265 908721374 /nfs/dbraw/zinc/72/13/74/908721374.db2.gz XLVUFECRWGAWID-UHFFFAOYSA-N 2 2 383.927 3.518 20 0 GHADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc4nccnc4c3)CC2)c1 ZINC001177708319 908721889 /nfs/dbraw/zinc/72/18/89/908721889.db2.gz YPECDNOVNCYGMR-UHFFFAOYSA-N 2 2 395.938 3.585 20 0 GHADLP C[C@H](C(=O)N(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001177922252 908807067 /nfs/dbraw/zinc/80/70/67/908807067.db2.gz QPJMUFRUPGNUFY-NFBKMPQASA-N 2 2 388.515 3.747 20 0 GHADLP C[C@H](C(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001177922252 908807084 /nfs/dbraw/zinc/80/70/84/908807084.db2.gz QPJMUFRUPGNUFY-NFBKMPQASA-N 2 2 388.515 3.747 20 0 GHADLP Clc1cc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)ccc1OCCn1cc[nH+]c1 ZINC001178436513 909037998 /nfs/dbraw/zinc/03/79/98/909037998.db2.gz JUSZXVGIBCFGJQ-PXNSSMCTSA-N 2 2 375.900 3.663 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635575162 909293091 /nfs/dbraw/zinc/29/30/91/909293091.db2.gz PZCSFWGPFGSTTF-YJBOKZPZSA-N 2 2 394.441 3.718 20 0 GHADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638439925 910154034 /nfs/dbraw/zinc/15/40/34/910154034.db2.gz GCGMUHHEOUZLOW-KNQAVFIVSA-N 2 2 384.545 3.548 20 0 GHADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638439925 910154047 /nfs/dbraw/zinc/15/40/47/910154047.db2.gz GCGMUHHEOUZLOW-KNQAVFIVSA-N 2 2 384.545 3.548 20 0 GHADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)CC[C@H]21 ZINC000270337159 910525120 /nfs/dbraw/zinc/52/51/20/910525120.db2.gz MZGACSDVPHKUPC-WIYYLYMNSA-N 2 2 391.519 3.550 20 0 GHADLP C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)CC[C@H]21 ZINC000270337159 910525128 /nfs/dbraw/zinc/52/51/28/910525128.db2.gz MZGACSDVPHKUPC-WIYYLYMNSA-N 2 2 391.519 3.550 20 0 GHADLP C[C@@H]1CN(c2ccc(NC3CC[NH+](CCC(F)(F)F)CC3)c[nH+]2)C[C@@H](C)O1 ZINC001181349537 910743090 /nfs/dbraw/zinc/74/30/90/910743090.db2.gz LHRCRSYFQHEVHQ-HUUCEWRRSA-N 2 2 386.462 3.524 20 0 GHADLP CCCC[N@H+](CC)[C@@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC001182237299 911279003 /nfs/dbraw/zinc/27/90/03/911279003.db2.gz PXHHZCLLIBYGNE-IFMALSPDSA-N 2 2 380.536 3.640 20 0 GHADLP CCCC[N@@H+](CC)[C@@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC001182237299 911279008 /nfs/dbraw/zinc/27/90/08/911279008.db2.gz PXHHZCLLIBYGNE-IFMALSPDSA-N 2 2 380.536 3.640 20 0 GHADLP CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3Cl)[NH+](CC)CC)C[C@H]2C1 ZINC001182219853 911309603 /nfs/dbraw/zinc/30/96/03/911309603.db2.gz CPXPSCQJXLVEBE-QKLQHJQFSA-N 2 2 377.960 3.523 20 0 GHADLP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3Cl)[NH+](CC)CC)C[C@H]2C1 ZINC001182219853 911309617 /nfs/dbraw/zinc/30/96/17/911309617.db2.gz CPXPSCQJXLVEBE-QKLQHJQFSA-N 2 2 377.960 3.523 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1Cl ZINC001182224053 911319724 /nfs/dbraw/zinc/31/97/24/911319724.db2.gz WXDJITSBVSNYAF-LBXVMSDZSA-N 2 2 379.976 3.960 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000283129340 911380372 /nfs/dbraw/zinc/38/03/72/911380372.db2.gz ZPWYHJMAOJWHME-OAQYLSRUSA-N 2 2 375.520 3.658 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000283129340 911380390 /nfs/dbraw/zinc/38/03/90/911380390.db2.gz ZPWYHJMAOJWHME-OAQYLSRUSA-N 2 2 375.520 3.658 20 0 GHADLP CCOc1ccc(Cl)cc1CN1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC001182442592 911673997 /nfs/dbraw/zinc/67/39/97/911673997.db2.gz GMIUFTAVQVXOFP-UHFFFAOYSA-N 2 2 379.976 3.731 20 0 GHADLP CCOc1ccc(Cl)cc1CN1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC001182442592 911674001 /nfs/dbraw/zinc/67/40/01/911674001.db2.gz GMIUFTAVQVXOFP-UHFFFAOYSA-N 2 2 379.976 3.731 20 0 GHADLP CCOc1ccc(Cl)cc1C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC001182442592 911674009 /nfs/dbraw/zinc/67/40/09/911674009.db2.gz GMIUFTAVQVXOFP-UHFFFAOYSA-N 2 2 379.976 3.731 20 0 GHADLP CCOc1ccc(Cl)cc1C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC001182442592 911674015 /nfs/dbraw/zinc/67/40/15/911674015.db2.gz GMIUFTAVQVXOFP-UHFFFAOYSA-N 2 2 379.976 3.731 20 0 GHADLP c1ccc([C@@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)CCS2)cc1 ZINC001182764191 912009599 /nfs/dbraw/zinc/00/95/99/912009599.db2.gz KXPGWCRDDSAFSL-QHCPKHFHSA-N 2 2 398.572 3.688 20 0 GHADLP c1ccc([C@@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)CCS2)cc1 ZINC001182764191 912009609 /nfs/dbraw/zinc/00/96/09/912009609.db2.gz KXPGWCRDDSAFSL-QHCPKHFHSA-N 2 2 398.572 3.688 20 0 GHADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)CC1 ZINC000642529340 912136935 /nfs/dbraw/zinc/13/69/35/912136935.db2.gz FUUBKIWJHUZHPX-OAQYLSRUSA-N 2 2 383.561 3.538 20 0 GHADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)CC1 ZINC000642529340 912136946 /nfs/dbraw/zinc/13/69/46/912136946.db2.gz FUUBKIWJHUZHPX-OAQYLSRUSA-N 2 2 383.561 3.538 20 0 GHADLP COc1ccc([C@@H](CNC2CC[NH+](CCC(F)(F)F)CC2)[NH+]2CCCC2)cc1 ZINC000291037491 914931366 /nfs/dbraw/zinc/93/13/66/914931366.db2.gz FZSHMOQGYLOJBX-HXUWFJFHSA-N 2 2 399.501 3.839 20 0 GHADLP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@@H+]1C ZINC000291509054 915220910 /nfs/dbraw/zinc/22/09/10/915220910.db2.gz OLJNSFDEUMOVHX-APWZRJJASA-N 2 2 381.524 3.833 20 0 GHADLP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@H+]1C ZINC000291509054 915220925 /nfs/dbraw/zinc/22/09/25/915220925.db2.gz OLJNSFDEUMOVHX-APWZRJJASA-N 2 2 381.524 3.833 20 0 GHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000647475986 915287206 /nfs/dbraw/zinc/28/72/06/915287206.db2.gz JSSLJBSCAPYYAZ-LJQANCHMSA-N 2 2 379.508 3.683 20 0 GHADLP CC[C@@H]1C[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC[C@H]1[NH3+] ZINC000647938766 915444242 /nfs/dbraw/zinc/44/42/42/915444242.db2.gz UGOAPGRQOUFBMT-WIYYLYMNSA-N 2 2 375.532 3.546 20 0 GHADLP CC[C@@H]1C[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC[C@H]1[NH3+] ZINC000647938766 915444247 /nfs/dbraw/zinc/44/42/47/915444247.db2.gz UGOAPGRQOUFBMT-WIYYLYMNSA-N 2 2 375.532 3.546 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@H](c3nnc[nH]3)C3CCCCC3)cc2)C[C@@H](C)O1 ZINC000293475414 916222873 /nfs/dbraw/zinc/22/28/73/916222873.db2.gz QUUXAYSTGXICNJ-HMFYCAOWSA-N 2 2 397.567 3.825 20 0 GHADLP COc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)ccc1OC(=O)C1CC1 ZINC000775206122 916290923 /nfs/dbraw/zinc/29/09/23/916290923.db2.gz UTMXIWGVCXASNS-UHFFFAOYSA-N 2 2 396.487 3.757 20 0 GHADLP C[C@H]1C[C@H]1c1noc(CC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000649780552 916397878 /nfs/dbraw/zinc/39/78/78/916397878.db2.gz CPTBPPXAMDZBDI-OXJNMPFZSA-N 2 2 377.492 3.833 20 0 GHADLP CN(CC[NH+]1CCCCC1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000650101376 916721476 /nfs/dbraw/zinc/72/14/76/916721476.db2.gz DQNNBMMTCIQMDR-UHFFFAOYSA-N 2 2 379.508 3.551 20 0 GHADLP O=C(C1CCCCC1)N1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001190660456 917451290 /nfs/dbraw/zinc/45/12/90/917451290.db2.gz JDSSASQJWVRRHA-UHFFFAOYSA-N 2 2 383.580 3.897 20 0 GHADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](CCc1noc3ccccc31)CC2 ZINC000653663922 918397905 /nfs/dbraw/zinc/39/79/05/918397905.db2.gz XMKRRVSKUPNAQZ-LJQANCHMSA-N 2 2 382.533 3.813 20 0 GHADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](CCc1noc3ccccc31)CC2 ZINC000653663922 918397916 /nfs/dbraw/zinc/39/79/16/918397916.db2.gz XMKRRVSKUPNAQZ-LJQANCHMSA-N 2 2 382.533 3.813 20 0 GHADLP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000364727084 919911412 /nfs/dbraw/zinc/91/14/12/919911412.db2.gz KIVMPCTUSPRTHT-IBGZPJMESA-N 2 2 394.563 3.871 20 0 GHADLP O[C@@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1Cl ZINC000800403377 920033948 /nfs/dbraw/zinc/03/39/48/920033948.db2.gz KFCWNAMHPRLCFW-LIRRHRJNSA-N 2 2 377.891 3.925 20 0 GHADLP O[C@@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1Cl ZINC000800403377 920033966 /nfs/dbraw/zinc/03/39/66/920033966.db2.gz KFCWNAMHPRLCFW-LIRRHRJNSA-N 2 2 377.891 3.925 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000365250661 920567997 /nfs/dbraw/zinc/56/79/97/920567997.db2.gz AOHABPDCWZPPDX-QFIPXVFZSA-N 2 2 392.547 3.795 20 0 GHADLP O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900930767 920735585 /nfs/dbraw/zinc/73/55/85/920735585.db2.gz ONSOINJWGFVREU-UHFFFAOYSA-N 2 2 395.551 3.522 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000367233465 921990777 /nfs/dbraw/zinc/99/07/77/921990777.db2.gz ZXMXZAKLZGPGHU-UHFFFAOYSA-N 2 2 390.466 3.807 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](c3ccccn3)C3CC3)CC2)cc1 ZINC000903178898 922835583 /nfs/dbraw/zinc/83/55/83/922835583.db2.gz JRVOOBFFJQWQNX-HSZRJFAPSA-N 2 2 378.520 3.745 20 0 GHADLP COc1cc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)ccc1OCc1ccccc1 ZINC000903971340 923442529 /nfs/dbraw/zinc/44/25/29/923442529.db2.gz AHEAKZCYVQNECK-OAQYLSRUSA-N 2 2 396.531 3.523 20 0 GHADLP COc1cc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c(-c2ccccc2)cc1OC ZINC000903973109 923444229 /nfs/dbraw/zinc/44/42/29/923444229.db2.gz OLRSDMFWMHOSOR-HXUWFJFHSA-N 2 2 396.531 3.619 20 0 GHADLP CC[N@@H+]1CCN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)C[C@@H]1C ZINC000677152322 924261213 /nfs/dbraw/zinc/26/12/13/924261213.db2.gz CPKIFUSLVNUDIZ-INIZCTEOSA-N 2 2 395.576 3.950 20 0 GHADLP CC[N@H+]1CCN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)C[C@@H]1C ZINC000677152322 924261223 /nfs/dbraw/zinc/26/12/23/924261223.db2.gz CPKIFUSLVNUDIZ-INIZCTEOSA-N 2 2 395.576 3.950 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000677653470 924440324 /nfs/dbraw/zinc/44/03/24/924440324.db2.gz AOANYHVQMJHGCA-DLBZAZTESA-N 2 2 384.351 3.513 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000677653470 924440325 /nfs/dbraw/zinc/44/03/25/924440325.db2.gz AOANYHVQMJHGCA-DLBZAZTESA-N 2 2 384.351 3.513 20 0 GHADLP CCc1cc(N2CCC([NH2+][C@H]3C[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)ncn1 ZINC000677806828 924505948 /nfs/dbraw/zinc/50/59/48/924505948.db2.gz PLBPKAKJEPRIKJ-JOCHJYFZSA-N 2 2 393.579 3.651 20 0 GHADLP CCc1cc(N2CCC([NH2+][C@H]3C[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)ncn1 ZINC000677806828 924505951 /nfs/dbraw/zinc/50/59/51/924505951.db2.gz PLBPKAKJEPRIKJ-JOCHJYFZSA-N 2 2 393.579 3.651 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000677824072 924510627 /nfs/dbraw/zinc/51/06/27/924510627.db2.gz QQHDNLLXRQQZEF-UHFFFAOYSA-N 2 2 389.503 3.854 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000677824072 924510634 /nfs/dbraw/zinc/51/06/34/924510634.db2.gz QQHDNLLXRQQZEF-UHFFFAOYSA-N 2 2 389.503 3.854 20 0 GHADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000678767870 924915367 /nfs/dbraw/zinc/91/53/67/924915367.db2.gz ROJQXGHPSQXUBH-DVECYGJZSA-N 2 2 380.532 3.811 20 0 GHADLP Brc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)[C@@H]2CCCO2)cc1 ZINC000679333312 925098270 /nfs/dbraw/zinc/09/82/70/925098270.db2.gz IZAWOCQIAHVJGH-ZWKOTPCHSA-N 2 2 378.314 3.936 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)C2 ZINC000372949268 925783327 /nfs/dbraw/zinc/78/33/27/925783327.db2.gz MTBSPPKQXJCFRX-NQIIRXRSSA-N 2 2 380.536 3.591 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)CC2 ZINC000372949268 925783328 /nfs/dbraw/zinc/78/33/28/925783328.db2.gz MTBSPPKQXJCFRX-NQIIRXRSSA-N 2 2 380.536 3.591 20 0 GHADLP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000681827470 925920767 /nfs/dbraw/zinc/92/07/67/925920767.db2.gz LSEOAMZOMXQGPX-KRWDZBQOSA-N 2 2 380.536 3.945 20 0 GHADLP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000681827470 925920772 /nfs/dbraw/zinc/92/07/72/925920772.db2.gz LSEOAMZOMXQGPX-KRWDZBQOSA-N 2 2 380.536 3.945 20 0 GHADLP CC(C)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000682422539 926108957 /nfs/dbraw/zinc/10/89/57/926108957.db2.gz NDGYURKMJSIAAS-SFHVURJKSA-N 2 2 377.960 3.704 20 0 GHADLP CC(C)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000682422539 926108961 /nfs/dbraw/zinc/10/89/61/926108961.db2.gz NDGYURKMJSIAAS-SFHVURJKSA-N 2 2 377.960 3.704 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411421511 926382456 /nfs/dbraw/zinc/38/24/56/926382456.db2.gz KTTJUCPIFFXHKV-NRFANRHFSA-N 2 2 382.533 3.562 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411421511 926382460 /nfs/dbraw/zinc/38/24/60/926382460.db2.gz KTTJUCPIFFXHKV-NRFANRHFSA-N 2 2 382.533 3.562 20 0 GHADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)c2)[nH+]c1C ZINC000749579049 927199022 /nfs/dbraw/zinc/19/90/22/927199022.db2.gz GPHRJGBSUDXFDF-HXUWFJFHSA-N 2 2 389.503 3.939 20 0 GHADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)c2)[nH+]c1C ZINC000749579049 927199032 /nfs/dbraw/zinc/19/90/32/927199032.db2.gz GPHRJGBSUDXFDF-HXUWFJFHSA-N 2 2 389.503 3.939 20 0 GHADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc2c(c1)CCCC2 ZINC000467140357 928747090 /nfs/dbraw/zinc/74/70/90/928747090.db2.gz XFGLZTMTENWIBM-SJORKVTESA-N 2 2 380.536 3.734 20 0 GHADLP C[NH+](C)C1(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CCC1 ZINC000467391212 929028394 /nfs/dbraw/zinc/02/83/94/929028394.db2.gz RLPKXEDDXZFMGB-GOSISDBHSA-N 2 2 381.358 3.991 20 0 GHADLP Cc1cccn2cc(Cc3noc(C4CCN(c5cc[nH+]cc5C)CC4)n3)[nH+]c12 ZINC000544644905 929383699 /nfs/dbraw/zinc/38/36/99/929383699.db2.gz STBQIIQAICJQNP-UHFFFAOYSA-N 2 2 388.475 3.704 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000545912945 929669013 /nfs/dbraw/zinc/66/90/13/929669013.db2.gz MJGCHBZVMIFAMI-HSZRJFAPSA-N 2 2 380.532 3.978 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](C2CCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000469494887 929938765 /nfs/dbraw/zinc/93/87/65/929938765.db2.gz ZFNLFVDMZFZWLX-IBGZPJMESA-N 2 2 397.485 3.785 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000469519643 929961106 /nfs/dbraw/zinc/96/11/06/929961106.db2.gz WPQFAVLRSSNKPT-UXHICEINSA-N 2 2 380.536 3.907 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000469519643 929961108 /nfs/dbraw/zinc/96/11/08/929961108.db2.gz WPQFAVLRSSNKPT-UXHICEINSA-N 2 2 380.536 3.907 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000469519642 929961212 /nfs/dbraw/zinc/96/12/12/929961212.db2.gz WPQFAVLRSSNKPT-PMACEKPBSA-N 2 2 380.536 3.907 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000469519642 929961213 /nfs/dbraw/zinc/96/12/13/929961213.db2.gz WPQFAVLRSSNKPT-PMACEKPBSA-N 2 2 380.536 3.907 20 0 GHADLP C/C(=C\c1ccc(Cl)cc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000759185628 930302463 /nfs/dbraw/zinc/30/24/63/930302463.db2.gz ZWEWNJSSHCVFQD-FBMGVBCBSA-N 2 2 389.971 3.810 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C(=O)N1c1ccccc1 ZINC000781518409 930876488 /nfs/dbraw/zinc/87/64/88/930876488.db2.gz JYVWHFRPZODTKX-WZONZLPQSA-N 2 2 392.547 3.505 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@H](C2CC2)O1 ZINC000470927115 931038867 /nfs/dbraw/zinc/03/88/67/931038867.db2.gz WHMKZTRWNQZRHB-GRJZNYKUSA-N 2 2 384.564 3.685 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@H](C2CC2)O1 ZINC000470927115 931038873 /nfs/dbraw/zinc/03/88/73/931038873.db2.gz WHMKZTRWNQZRHB-GRJZNYKUSA-N 2 2 384.564 3.685 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@H](C2CC2)O1 ZINC000470927115 931038879 /nfs/dbraw/zinc/03/88/79/931038879.db2.gz WHMKZTRWNQZRHB-GRJZNYKUSA-N 2 2 384.564 3.685 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@H](C2CC2)O1 ZINC000470927115 931038888 /nfs/dbraw/zinc/03/88/88/931038888.db2.gz WHMKZTRWNQZRHB-GRJZNYKUSA-N 2 2 384.564 3.685 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000547509029 931081624 /nfs/dbraw/zinc/08/16/24/931081624.db2.gz RYMHIGABPMNQKP-AVRDEDQJSA-N 2 2 381.520 3.524 20 0 GHADLP CCOc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000547509029 931081633 /nfs/dbraw/zinc/08/16/33/931081633.db2.gz RYMHIGABPMNQKP-AVRDEDQJSA-N 2 2 381.520 3.524 20 0 GHADLP CC1([NH+]2CCC2)CCC(NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC1 ZINC000923809716 931150190 /nfs/dbraw/zinc/15/01/90/931150190.db2.gz DDSJKERFXBFSJB-UTCHBHPLSA-N 2 2 385.556 3.511 20 0 GHADLP CC1([NH+]2CCCC2)CCC(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000924029815 931179744 /nfs/dbraw/zinc/17/97/44/931179744.db2.gz ACIAWGDRAVQDJL-QKDPSFTKSA-N 2 2 395.551 3.721 20 0 GHADLP CC(C)[C@H](C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)N1CC[NH+](C)CC1 ZINC000924630519 931455590 /nfs/dbraw/zinc/45/55/90/931455590.db2.gz FUCWORYWBSJMTJ-VXKWHMMOSA-N 2 2 386.971 3.686 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1coc2ccccc21 ZINC000924678477 931471282 /nfs/dbraw/zinc/47/12/82/931471282.db2.gz GDVZJOSHUBSVMX-KRWDZBQOSA-N 2 2 377.488 3.671 20 0 GHADLP CCc1ccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2cccnc2)cc1 ZINC000925093783 931642862 /nfs/dbraw/zinc/64/28/62/931642862.db2.gz LHGGILMTJKYFID-YKSBVNFPSA-N 2 2 379.548 3.824 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000925180648 931692932 /nfs/dbraw/zinc/69/29/32/931692932.db2.gz RMNQRONAFZJTDF-IHPCNDPISA-N 2 2 398.551 3.987 20 0 GHADLP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000926867031 932331038 /nfs/dbraw/zinc/33/10/38/932331038.db2.gz ZUHZCRMUMAPNGB-XGRCMKMKSA-N 2 2 380.467 3.619 20 0 GHADLP Brc1cccc(C2CC([NH2+]C[C@H]3CC[N@@H+]3C3CCOCC3)C2)c1 ZINC000927106253 932414563 /nfs/dbraw/zinc/41/45/63/932414563.db2.gz ORDTVKGHZJYNNI-GXOAENINSA-N 2 2 379.342 3.538 20 0 GHADLP Brc1cccc(C2CC([NH2+]C[C@H]3CC[N@H+]3C3CCOCC3)C2)c1 ZINC000927106253 932414566 /nfs/dbraw/zinc/41/45/66/932414566.db2.gz ORDTVKGHZJYNNI-GXOAENINSA-N 2 2 379.342 3.538 20 0 GHADLP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000559964202 932984785 /nfs/dbraw/zinc/98/47/85/932984785.db2.gz XFTRSOCMBWKFCI-UHFFFAOYSA-N 2 2 378.476 3.832 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC001116071006 933318243 /nfs/dbraw/zinc/31/82/43/933318243.db2.gz MSVSWGZPYVOEAY-UHFFFAOYSA-N 2 2 392.850 3.976 20 0 GHADLP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC001116304916 933468901 /nfs/dbraw/zinc/46/89/01/933468901.db2.gz SFDOQLYUIYJTJR-VXKWHMMOSA-N 2 2 394.563 3.564 20 0 GHADLP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC001116304916 933468907 /nfs/dbraw/zinc/46/89/07/933468907.db2.gz SFDOQLYUIYJTJR-VXKWHMMOSA-N 2 2 394.563 3.564 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(-n2cnc3ccccc32)nc1 ZINC001116440424 933559573 /nfs/dbraw/zinc/55/95/73/933559573.db2.gz GPPUPIPUFYHOCY-UHFFFAOYSA-N 2 2 395.426 3.562 20 0 GHADLP COc1nc(Cl)c(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)n1C ZINC001116475646 933580318 /nfs/dbraw/zinc/58/03/18/933580318.db2.gz AVXADBFSECRRGZ-UHFFFAOYSA-N 2 2 388.899 3.597 20 0 GHADLP COc1nc(Cl)c(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)n1C ZINC001116475646 933580323 /nfs/dbraw/zinc/58/03/23/933580323.db2.gz AVXADBFSECRRGZ-UHFFFAOYSA-N 2 2 388.899 3.597 20 0 GHADLP CCOc1cccc2[nH]cc(CC(=O)Nc3c[nH+]ccc3-n3cc[nH+]c3C)c21 ZINC001116706321 933714833 /nfs/dbraw/zinc/71/48/33/933714833.db2.gz FWUKOFQONAXGEW-UHFFFAOYSA-N 2 2 375.432 3.637 20 0 GHADLP CCOc1ccc2ccccc2c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000931216397 934445421 /nfs/dbraw/zinc/44/54/21/934445421.db2.gz GPTIBUXKZXBMPQ-UHFFFAOYSA-N 2 2 395.547 3.527 20 0 GHADLP C[C@@H]1CN(C(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@@H](C)C[N@@H+]1C ZINC001137611059 935625975 /nfs/dbraw/zinc/62/59/75/935625975.db2.gz NQAZZXYKVNGYIV-ZRCGQRJVSA-N 2 2 397.538 3.578 20 0 GHADLP C[C@@H]1CN(C(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@@H](C)C[N@H+]1C ZINC001137611059 935625976 /nfs/dbraw/zinc/62/59/76/935625976.db2.gz NQAZZXYKVNGYIV-ZRCGQRJVSA-N 2 2 397.538 3.578 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C[C@H]1C ZINC000468394497 1015661714 /nfs/dbraw/zinc/66/17/14/1015661714.db2.gz ZHHURYRAQZOPAT-UTKZUKDTSA-N 2 2 384.568 3.861 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C[C@H]1C ZINC000468394497 1015661720 /nfs/dbraw/zinc/66/17/20/1015661720.db2.gz ZHHURYRAQZOPAT-UTKZUKDTSA-N 2 2 384.568 3.861 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C[C@H]1C ZINC000468394497 1015661729 /nfs/dbraw/zinc/66/17/29/1015661729.db2.gz ZHHURYRAQZOPAT-UTKZUKDTSA-N 2 2 384.568 3.861 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C[C@H]1C ZINC000468394497 1015661736 /nfs/dbraw/zinc/66/17/36/1015661736.db2.gz ZHHURYRAQZOPAT-UTKZUKDTSA-N 2 2 384.568 3.861 20 0 GHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC3([NH+](C)C)CCCCC3)c2C1 ZINC000545373933 1015819216 /nfs/dbraw/zinc/81/92/16/1015819216.db2.gz QTCOWUDQPQBINN-UHFFFAOYSA-N 2 2 394.563 3.607 20 0 GHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC3([NH+](C)C)CCCCC3)c2C1 ZINC000545373933 1015819224 /nfs/dbraw/zinc/81/92/24/1015819224.db2.gz QTCOWUDQPQBINN-UHFFFAOYSA-N 2 2 394.563 3.607 20 0 GHADLP CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000468833185 1016085205 /nfs/dbraw/zinc/08/52/05/1016085205.db2.gz FBOPOMFQNHGWSE-PMACEKPBSA-N 2 2 398.551 3.574 20 0 GHADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)Cn1cc(Br)cn1)c1ccccc1 ZINC000468900029 1016187610 /nfs/dbraw/zinc/18/76/10/1016187610.db2.gz HMAIHPLULUKIHU-CRAIPNDOSA-N 2 2 379.346 3.707 20 0 GHADLP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000925138450 1017042035 /nfs/dbraw/zinc/04/20/35/1017042035.db2.gz GUUPYHOGYKGIRQ-CYBMUJFWSA-N 2 2 396.457 3.913 20 0 GHADLP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001221604150 1032478228 /nfs/dbraw/zinc/47/82/28/1032478228.db2.gz NNWDPVZBBSOPEA-JOCHJYFZSA-N 2 2 391.519 3.576 20 0 GHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001221604150 1032478231 /nfs/dbraw/zinc/47/82/31/1032478231.db2.gz NNWDPVZBBSOPEA-JOCHJYFZSA-N 2 2 391.519 3.576 20 0 GHADLP CC(C)Oc1ccc([C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)N(C)C)cc1 ZINC000558257602 1017149975 /nfs/dbraw/zinc/14/99/75/1017149975.db2.gz MQFICZQAGJRCIO-JOCHJYFZSA-N 2 2 382.552 3.730 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)[C@H](C)C1 ZINC000560572946 1017662962 /nfs/dbraw/zinc/66/29/62/1017662962.db2.gz VLDINAIPCIKANX-NQIIRXRSSA-N 2 2 377.548 3.653 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)[C@H](C)C1 ZINC000560572946 1017662988 /nfs/dbraw/zinc/66/29/88/1017662988.db2.gz VLDINAIPCIKANX-NQIIRXRSSA-N 2 2 377.548 3.653 20 0 GHADLP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(F)cc1Br ZINC000562895334 1018766250 /nfs/dbraw/zinc/76/62/50/1018766250.db2.gz YJQJONOGLYSJGB-CYBMUJFWSA-N 2 2 396.304 3.774 20 0 GHADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000562902489 1018782160 /nfs/dbraw/zinc/78/21/60/1018782160.db2.gz WPIYGQUKROGRPS-QUCCMNQESA-N 2 2 392.469 3.866 20 0 GHADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000562902489 1018782175 /nfs/dbraw/zinc/78/21/75/1018782175.db2.gz WPIYGQUKROGRPS-QUCCMNQESA-N 2 2 392.469 3.866 20 0 GHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000562902489 1018782190 /nfs/dbraw/zinc/78/21/90/1018782190.db2.gz WPIYGQUKROGRPS-QUCCMNQESA-N 2 2 392.469 3.866 20 0 GHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000562902489 1018782196 /nfs/dbraw/zinc/78/21/96/1018782196.db2.gz WPIYGQUKROGRPS-QUCCMNQESA-N 2 2 392.469 3.866 20 0 GHADLP Fc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)cc(F)c1F ZINC001204527246 1032952331 /nfs/dbraw/zinc/95/23/31/1032952331.db2.gz SNVAQZILDCFCKJ-UHFFFAOYSA-N 2 2 390.449 3.971 20 0 GHADLP Fc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cc(F)c1F ZINC001204527246 1032952337 /nfs/dbraw/zinc/95/23/37/1032952337.db2.gz SNVAQZILDCFCKJ-UHFFFAOYSA-N 2 2 390.449 3.971 20 0 GHADLP CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834574925 1021277191 /nfs/dbraw/zinc/27/71/91/1021277191.db2.gz FYVHWJNMZSZPQA-RTBURBONSA-N 2 2 397.604 3.644 20 0 GHADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000654598682 1021280424 /nfs/dbraw/zinc/28/04/24/1021280424.db2.gz AMSPAIVWDXOOEG-AWEZNQCLSA-N 2 2 397.350 3.876 20 0 GHADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000654598682 1021280429 /nfs/dbraw/zinc/28/04/29/1021280429.db2.gz AMSPAIVWDXOOEG-AWEZNQCLSA-N 2 2 397.350 3.876 20 0 GHADLP c1csc([C@@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2nnc[nH]2)c1 ZINC000903455019 1021602273 /nfs/dbraw/zinc/60/22/73/1021602273.db2.gz HBZFRXMDJGFMAK-QEUVDIPISA-N 2 2 393.560 3.846 20 0 GHADLP c1csc([C@@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2nnc[nH]2)c1 ZINC000903455019 1021602284 /nfs/dbraw/zinc/60/22/84/1021602284.db2.gz HBZFRXMDJGFMAK-QEUVDIPISA-N 2 2 393.560 3.846 20 0 GHADLP CC[NH+](CC)[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC000749126535 1021751605 /nfs/dbraw/zinc/75/16/05/1021751605.db2.gz NIFZCVVUJFGWGR-NRFANRHFSA-N 2 2 389.584 3.929 20 0 GHADLP CC(C)C(NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000677280746 1021813528 /nfs/dbraw/zinc/81/35/28/1021813528.db2.gz APECQMAYJFSSEO-WOJBJXKFSA-N 2 2 380.621 3.646 20 0 GHADLP CC(C)C(NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000677280746 1021813542 /nfs/dbraw/zinc/81/35/42/1021813542.db2.gz APECQMAYJFSSEO-WOJBJXKFSA-N 2 2 380.621 3.646 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CC[NH+](C[C@@H]5CCCO5)CC4)[C@H]3C2)cc1 ZINC000679721365 1022043048 /nfs/dbraw/zinc/04/30/48/1022043048.db2.gz LMZSKCZXRSAFNJ-LFBFJMOVSA-N 3 2 397.607 3.520 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CC[NH+](C[C@@H]5CCCO5)CC4)[C@H]3C2)cc1 ZINC000679721365 1022043062 /nfs/dbraw/zinc/04/30/62/1022043062.db2.gz LMZSKCZXRSAFNJ-LFBFJMOVSA-N 3 2 397.607 3.520 20 0 GHADLP COc1cccc(Cl)c1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001140734191 1022389835 /nfs/dbraw/zinc/38/98/35/1022389835.db2.gz QUAYXTZHFFZHTR-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP COc1cccc(Cl)c1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001140734191 1022389855 /nfs/dbraw/zinc/38/98/55/1022389855.db2.gz QUAYXTZHFFZHTR-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccn5cc[nH+]c5c4)CC3)C2)cc1 ZINC001141043761 1023373379 /nfs/dbraw/zinc/37/33/79/1023373379.db2.gz KCALKADHBRIWLL-UHFFFAOYSA-N 3 2 390.531 3.510 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccn5cc[nH+]c5c4)CC3)C2)cc1 ZINC001141043761 1023373387 /nfs/dbraw/zinc/37/33/87/1023373387.db2.gz KCALKADHBRIWLL-UHFFFAOYSA-N 3 2 390.531 3.510 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@H+](Cn3nc(C4CC4)n(-c4ccccc4)c3=S)C2)CC1 ZINC000755779069 1023373973 /nfs/dbraw/zinc/37/39/73/1023373973.db2.gz QCVNXWBVHZNAHE-IBGZPJMESA-N 2 2 397.592 3.902 20 0 GHADLP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3nc(C4CC4)n(-c4ccccc4)c3=S)C2)CC1 ZINC000755779069 1023373981 /nfs/dbraw/zinc/37/39/81/1023373981.db2.gz QCVNXWBVHZNAHE-IBGZPJMESA-N 2 2 397.592 3.902 20 0 GHADLP Cc1ccc(/C=C\c2nc(=S)n(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)[nH]2)o1 ZINC000755778251 1023374239 /nfs/dbraw/zinc/37/42/39/1023374239.db2.gz FIQCQIGJFQUVTO-KEGWNNHHSA-N 2 2 387.553 3.634 20 0 GHADLP Cc1ccc(/C=C\c2nc(=S)n(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)[nH]2)o1 ZINC000755778251 1023374243 /nfs/dbraw/zinc/37/42/43/1023374243.db2.gz FIQCQIGJFQUVTO-KEGWNNHHSA-N 2 2 387.553 3.634 20 0 GHADLP Cc1cc2nn(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c(=S)n2c2ccccc12 ZINC000755780570 1023374263 /nfs/dbraw/zinc/37/42/63/1023374263.db2.gz ZJVZHVFPJZVDAE-GOSISDBHSA-N 2 2 395.576 3.948 20 0 GHADLP Cc1cc2nn(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c(=S)n2c2ccccc12 ZINC000755780570 1023374270 /nfs/dbraw/zinc/37/42/70/1023374270.db2.gz ZJVZHVFPJZVDAE-GOSISDBHSA-N 2 2 395.576 3.948 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cn1 ZINC000756103459 1023523046 /nfs/dbraw/zinc/52/30/46/1023523046.db2.gz SKBZBKPDNKZQQM-UHFFFAOYSA-N 2 2 379.464 3.904 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ncccc2NC(=O)OC(C)(C)C)CC1 ZINC001138406663 1024785510 /nfs/dbraw/zinc/78/55/10/1024785510.db2.gz ZQSINABWDVGLTL-UHFFFAOYSA-N 2 2 397.523 3.871 20 0 GHADLP COc1c(C)cc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)cc1C ZINC001138428059 1024823510 /nfs/dbraw/zinc/82/35/10/1024823510.db2.gz DWXBTMQFHXNGBZ-UHFFFAOYSA-N 2 2 382.552 3.676 20 0 GHADLP COc1c(C)cc(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)cc1C ZINC001138428059 1024823532 /nfs/dbraw/zinc/82/35/32/1024823532.db2.gz DWXBTMQFHXNGBZ-UHFFFAOYSA-N 2 2 382.552 3.676 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(OCC)cc3C)CC2)CC1 ZINC001138431754 1024831900 /nfs/dbraw/zinc/83/19/00/1024831900.db2.gz AKPVTQDMOBZXFK-UHFFFAOYSA-N 2 2 388.552 3.633 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)cc1 ZINC001138544713 1024989808 /nfs/dbraw/zinc/98/98/08/1024989808.db2.gz NGWBEIZOXLFWGD-UYAOXDASSA-N 2 2 382.508 3.622 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)cc1 ZINC001138544713 1024989812 /nfs/dbraw/zinc/98/98/12/1024989812.db2.gz NGWBEIZOXLFWGD-UYAOXDASSA-N 2 2 382.508 3.622 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3N3CCCCC3)CC2)C1 ZINC001138607657 1025096588 /nfs/dbraw/zinc/09/65/88/1025096588.db2.gz PNRTYFTZPHXNPR-OAQYLSRUSA-N 2 2 399.579 3.526 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3N3CCCCC3)CC2)C1 ZINC001138607657 1025096600 /nfs/dbraw/zinc/09/66/00/1025096600.db2.gz PNRTYFTZPHXNPR-OAQYLSRUSA-N 2 2 399.579 3.526 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)NCc3ccc(C[NH+]4CCC(C)CC4)cc3)ccn12 ZINC001141454640 1025099575 /nfs/dbraw/zinc/09/95/75/1025099575.db2.gz LJPPFXCCISBSSM-UHFFFAOYSA-N 2 2 376.504 3.805 20 0 GHADLP Fc1ccc(-n2cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cn2)cc1 ZINC001138653180 1025168235 /nfs/dbraw/zinc/16/82/35/1025168235.db2.gz UTKZIGZDXPUNAQ-SFTDATJTSA-N 2 2 376.479 3.575 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnc4ccccc4n3)C[C@@H]21 ZINC001138866640 1025492684 /nfs/dbraw/zinc/49/26/84/1025492684.db2.gz SSRBKGPPORLTEB-UTSGNWPNSA-N 2 2 387.531 3.757 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnc4ccccc4n3)C[C@@H]21 ZINC001138866640 1025492690 /nfs/dbraw/zinc/49/26/90/1025492690.db2.gz SSRBKGPPORLTEB-UTSGNWPNSA-N 2 2 387.531 3.757 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc4ccccc4n3)C[C@@H]21 ZINC001138866640 1025492705 /nfs/dbraw/zinc/49/27/05/1025492705.db2.gz SSRBKGPPORLTEB-UTSGNWPNSA-N 2 2 387.531 3.757 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc4ccccc4n3)C[C@@H]21 ZINC001138866640 1025492714 /nfs/dbraw/zinc/49/27/14/1025492714.db2.gz SSRBKGPPORLTEB-UTSGNWPNSA-N 2 2 387.531 3.757 20 0 GHADLP C[NH+]1CCN(c2cccc(N[C@H](CC3CC[NH2+]CC3)c3ccccc3F)[nH+]2)CC1 ZINC001162235439 1025684406 /nfs/dbraw/zinc/68/44/06/1025684406.db2.gz FWIVXUCBADEHOG-OAQYLSRUSA-N 3 2 397.542 3.515 20 0 GHADLP Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ccc1[NH+](C)C ZINC001162941214 1025977414 /nfs/dbraw/zinc/97/74/14/1025977414.db2.gz RRTMZCVUJVADHH-JOCHJYFZSA-N 3 2 392.591 3.975 20 0 GHADLP Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ccc1[NH+](C)C ZINC001162941214 1025977418 /nfs/dbraw/zinc/97/74/18/1025977418.db2.gz RRTMZCVUJVADHH-JOCHJYFZSA-N 3 2 392.591 3.975 20 0 GHADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(N5CCCCC5)nc4)C[C@H]3C2)c1 ZINC001139339847 1026202968 /nfs/dbraw/zinc/20/29/68/1026202968.db2.gz DAFLFIPESLGFNV-PMACEKPBSA-N 2 2 382.577 3.697 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CCC(c4nc(-c5cccnc5)no4)CC3)cc2)c[nH+]1 ZINC001139360416 1026232769 /nfs/dbraw/zinc/23/27/69/1026232769.db2.gz UFQGXMDCECEHTQ-UHFFFAOYSA-N 2 2 386.459 3.697 20 0 GHADLP O=C1C[C@@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CN1c1ccsc1 ZINC001139360510 1026233416 /nfs/dbraw/zinc/23/34/16/1026233416.db2.gz YFZWGALSUUAGTA-OAQYLSRUSA-N 2 2 378.501 3.563 20 0 GHADLP O=C1C[C@@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CN1c1ccsc1 ZINC001139360510 1026233426 /nfs/dbraw/zinc/23/34/26/1026233426.db2.gz YFZWGALSUUAGTA-OAQYLSRUSA-N 2 2 378.501 3.563 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CCC(Oc4ncnc5ccccc54)CC3)cc2)c[nH+]1 ZINC001139363828 1026240637 /nfs/dbraw/zinc/24/06/37/1026240637.db2.gz KNZFIXUCXJZJPL-UHFFFAOYSA-N 2 2 385.471 3.859 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139399640 1026269330 /nfs/dbraw/zinc/26/93/30/1026269330.db2.gz PFPNMEKTPOKAPY-IBGZPJMESA-N 2 2 391.515 3.908 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139399640 1026269341 /nfs/dbraw/zinc/26/93/41/1026269341.db2.gz PFPNMEKTPOKAPY-IBGZPJMESA-N 2 2 391.515 3.908 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001139399640 1026269355 /nfs/dbraw/zinc/26/93/55/1026269355.db2.gz PFPNMEKTPOKAPY-IBGZPJMESA-N 2 2 391.515 3.908 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139399640 1026269369 /nfs/dbraw/zinc/26/93/69/1026269369.db2.gz PFPNMEKTPOKAPY-IBGZPJMESA-N 2 2 391.515 3.908 20 0 GHADLP Cc1nc2scc(CC(C)C)c2c(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001164211031 1026453226 /nfs/dbraw/zinc/45/32/26/1026453226.db2.gz KLEXDDFQCRRDPR-UHFFFAOYSA-N 2 2 375.586 3.636 20 0 GHADLP C[NH+]1CCC2(C[NH+](Cc3c(Br)cccc3Br)C2)CC1 ZINC001139601570 1026464166 /nfs/dbraw/zinc/46/41/66/1026464166.db2.gz LWLLEIBPWABGOC-UHFFFAOYSA-N 2 2 388.147 3.739 20 0 GHADLP C[C@]1(NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001164393266 1026504946 /nfs/dbraw/zinc/50/49/46/1026504946.db2.gz NEDJANBTAUOJFY-IMSXRSKXSA-N 2 2 392.547 3.833 20 0 GHADLP C[C@]1(NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001164393266 1026504953 /nfs/dbraw/zinc/50/49/53/1026504953.db2.gz NEDJANBTAUOJFY-IMSXRSKXSA-N 2 2 392.547 3.833 20 0 GHADLP C[C@@H](c1nnc(SC[C@H]2CCC[N@@H+]2C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC001164463512 1026518026 /nfs/dbraw/zinc/51/80/26/1026518026.db2.gz GCBIJBQXDFGPNB-XJKSGUPXSA-N 2 2 379.961 3.730 20 0 GHADLP C[C@@H](c1nnc(SC[C@H]2CCC[N@H+]2C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC001164463512 1026518035 /nfs/dbraw/zinc/51/80/35/1026518035.db2.gz GCBIJBQXDFGPNB-XJKSGUPXSA-N 2 2 379.961 3.730 20 0 GHADLP COc1cc2cc[nH+]c(N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)c2cc1F ZINC001165267430 1026685787 /nfs/dbraw/zinc/68/57/87/1026685787.db2.gz BGBZLJNSOGPPMB-QGZVFWFLSA-N 2 2 383.389 3.893 20 0 GHADLP CCN(CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001461138963 1069409218 /nfs/dbraw/zinc/40/92/18/1069409218.db2.gz BSBBQLYGIBDJIX-IBGZPJMESA-N 2 2 375.557 3.886 20 0 GHADLP CCN(CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001461138963 1069409224 /nfs/dbraw/zinc/40/92/24/1069409224.db2.gz BSBBQLYGIBDJIX-IBGZPJMESA-N 2 2 375.557 3.886 20 0 GHADLP Cn1cc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)c(C2CCCCC2)n1 ZINC001461151131 1069415077 /nfs/dbraw/zinc/41/50/77/1069415077.db2.gz RXAVIMFVPGAXPG-UHFFFAOYSA-N 2 2 395.595 3.505 20 0 GHADLP COc1ccc2[nH]nc(C[N@H+](C)CC3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC001140069215 1026848866 /nfs/dbraw/zinc/84/88/66/1026848866.db2.gz MNEZYELFCMYHFS-UHFFFAOYSA-N 2 2 378.520 3.916 20 0 GHADLP COc1ccc2[nH]nc(C[N@@H+](C)CC3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC001140069215 1026848873 /nfs/dbraw/zinc/84/88/73/1026848873.db2.gz MNEZYELFCMYHFS-UHFFFAOYSA-N 2 2 378.520 3.916 20 0 GHADLP Cc1cccn2cc(C[NH+]3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc12 ZINC001209739196 1027130987 /nfs/dbraw/zinc/13/09/87/1027130987.db2.gz JGZCLLDZCOCNHK-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2cc(C[NH+]3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc12 ZINC001209739196 1027131005 /nfs/dbraw/zinc/13/10/05/1027131005.db2.gz JGZCLLDZCOCNHK-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2cc(C[N@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@H]4C3)nc12 ZINC001209739196 1027131014 /nfs/dbraw/zinc/13/10/14/1027131014.db2.gz JGZCLLDZCOCNHK-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1cccn2cc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@H]4C3)nc12 ZINC001209739196 1027131020 /nfs/dbraw/zinc/13/10/20/1027131020.db2.gz JGZCLLDZCOCNHK-VJBMBRPKSA-N 2 2 389.547 3.770 20 0 GHADLP CC[NH+]1CCN(Cc2ccc(Nc3c[nH+]c(C)c(N)c3)cc2C(F)(F)F)CC1 ZINC001210289338 1027427843 /nfs/dbraw/zinc/42/78/43/1027427843.db2.gz GZDNUKWZMUFRTM-UHFFFAOYSA-N 2 2 393.457 3.872 20 0 GHADLP COc1cc(C)c(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)cc1C ZINC001203752528 1027574426 /nfs/dbraw/zinc/57/44/26/1027574426.db2.gz BLLCQACXUQQZJF-UHFFFAOYSA-N 2 2 382.552 3.676 20 0 GHADLP COc1cc(C)c(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)cc1C ZINC001203752528 1027574431 /nfs/dbraw/zinc/57/44/31/1027574431.db2.gz BLLCQACXUQQZJF-UHFFFAOYSA-N 2 2 382.552 3.676 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(Cl)c(Cl)c4)C[C@@H]3C2)cn1 ZINC001203802173 1027616527 /nfs/dbraw/zinc/61/65/27/1027616527.db2.gz FFDQVXYABDICKT-SJORKVTESA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(Cl)c(Cl)c4)C[C@@H]3C2)cn1 ZINC001203802173 1027616540 /nfs/dbraw/zinc/61/65/40/1027616540.db2.gz FFDQVXYABDICKT-SJORKVTESA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(Cl)c(Cl)c4)C[C@@H]3C2)cn1 ZINC001203802173 1027616545 /nfs/dbraw/zinc/61/65/45/1027616545.db2.gz FFDQVXYABDICKT-SJORKVTESA-N 2 2 379.335 3.681 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C(F)(F)F)c1)C2 ZINC001203886472 1027682366 /nfs/dbraw/zinc/68/23/66/1027682366.db2.gz PPWGLRJFAQBIAY-PMACEKPBSA-N 2 2 382.470 3.886 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C(F)(F)F)c1)C2 ZINC001203886472 1027682374 /nfs/dbraw/zinc/68/23/74/1027682374.db2.gz PPWGLRJFAQBIAY-PMACEKPBSA-N 2 2 382.470 3.886 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC001203886472 1027682384 /nfs/dbraw/zinc/68/23/84/1027682384.db2.gz PPWGLRJFAQBIAY-PMACEKPBSA-N 2 2 382.470 3.886 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC001203886472 1027682391 /nfs/dbraw/zinc/68/23/91/1027682391.db2.gz PPWGLRJFAQBIAY-PMACEKPBSA-N 2 2 382.470 3.886 20 0 GHADLP CN(C(=O)OCCc1ccccc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001211394700 1027940113 /nfs/dbraw/zinc/94/01/13/1027940113.db2.gz RZRVTBFZQFKAJH-VXKWHMMOSA-N 2 2 387.568 3.635 20 0 GHADLP CN(C(=O)OCCc1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001211394700 1027940118 /nfs/dbraw/zinc/94/01/18/1027940118.db2.gz RZRVTBFZQFKAJH-VXKWHMMOSA-N 2 2 387.568 3.635 20 0 GHADLP O=C(/C=C/c1ccc(Cn2cc[nH+]c2)cc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC001142367910 1028766797 /nfs/dbraw/zinc/76/67/97/1028766797.db2.gz KALYCMRYVFWZIH-ZHACJKMWSA-N 2 2 392.547 3.669 20 0 GHADLP O=C(/C=C/c1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001142374838 1028779788 /nfs/dbraw/zinc/77/97/88/1028779788.db2.gz XASGHFWLNOTBAK-YSESTWPTSA-N 2 2 392.547 3.715 20 0 GHADLP O=C(/C=C/c1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001142374838 1028779807 /nfs/dbraw/zinc/77/98/07/1028779807.db2.gz XASGHFWLNOTBAK-YSESTWPTSA-N 2 2 392.547 3.715 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CSc4ccccc4O3)CC2)cc1 ZINC000842721695 1029533210 /nfs/dbraw/zinc/53/32/10/1029533210.db2.gz KWFYRRDPQFSBTN-HXUWFJFHSA-N 2 2 383.561 3.864 20 0 GHADLP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)s1 ZINC001222242102 1030028788 /nfs/dbraw/zinc/02/87/88/1030028788.db2.gz AIVNQPFUKXSNEK-QGZVFWFLSA-N 2 2 384.471 3.885 20 0 GHADLP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)s1 ZINC001222242102 1030028807 /nfs/dbraw/zinc/02/88/07/1030028807.db2.gz AIVNQPFUKXSNEK-QGZVFWFLSA-N 2 2 384.471 3.885 20 0 GHADLP COc1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)ccc1C(F)(F)F ZINC001143345278 1030055297 /nfs/dbraw/zinc/05/52/97/1030055297.db2.gz PKUPVXQKVBDFON-CALCHBBNSA-N 2 2 391.437 3.673 20 0 GHADLP COc1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)ccc1C(F)(F)F ZINC001143345278 1030055315 /nfs/dbraw/zinc/05/53/15/1030055315.db2.gz PKUPVXQKVBDFON-CALCHBBNSA-N 2 2 391.437 3.673 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)ccc1C(F)(F)F ZINC001143345278 1030055331 /nfs/dbraw/zinc/05/53/31/1030055331.db2.gz PKUPVXQKVBDFON-CALCHBBNSA-N 2 2 391.437 3.673 20 0 GHADLP COc1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)ccc1C(F)(F)F ZINC001143345278 1030055345 /nfs/dbraw/zinc/05/53/45/1030055345.db2.gz PKUPVXQKVBDFON-CALCHBBNSA-N 2 2 391.437 3.673 20 0 GHADLP Cc1cnc(F)c(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222590776 1030215707 /nfs/dbraw/zinc/21/57/07/1030215707.db2.gz NDXATWUPDKOKRK-OAQYLSRUSA-N 2 2 383.511 3.833 20 0 GHADLP Cc1cnc(F)c(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222590776 1030215723 /nfs/dbraw/zinc/21/57/23/1030215723.db2.gz NDXATWUPDKOKRK-OAQYLSRUSA-N 2 2 383.511 3.833 20 0 GHADLP Cc1cc(CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc(C)[nH+]1 ZINC001223547458 1030629434 /nfs/dbraw/zinc/62/94/34/1030629434.db2.gz PJKSVBJJONHBIW-FQEVSTJZSA-N 2 2 386.927 3.988 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)CC(F)F ZINC001461701553 1069688520 /nfs/dbraw/zinc/68/85/20/1069688520.db2.gz XTWYSRBSRDIIDC-DOTOQJQBSA-N 2 2 389.531 3.922 20 0 GHADLP CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)CC(F)F ZINC001461701553 1069688523 /nfs/dbraw/zinc/68/85/23/1069688523.db2.gz XTWYSRBSRDIIDC-DOTOQJQBSA-N 2 2 389.531 3.922 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000131370046 1030899433 /nfs/dbraw/zinc/89/94/33/1030899433.db2.gz GNPMZGRIVSWBRI-QFBILLFUSA-N 2 2 386.927 3.524 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000131370046 1030899450 /nfs/dbraw/zinc/89/94/50/1030899450.db2.gz GNPMZGRIVSWBRI-QFBILLFUSA-N 2 2 386.927 3.524 20 0 GHADLP CC1(C)C[C@H]([NH2+]CC[C@H]2CCC3(CCOCC3)CO2)C[N@@H+]1Cc1ccccc1 ZINC001461749120 1069722693 /nfs/dbraw/zinc/72/26/93/1069722693.db2.gz AOXCKOZJRXHENR-FCHUYYIVSA-N 2 2 386.580 3.995 20 0 GHADLP CC1(C)C[C@H]([NH2+]CC[C@H]2CCC3(CCOCC3)CO2)C[N@H+]1Cc1ccccc1 ZINC001461749120 1069722697 /nfs/dbraw/zinc/72/26/97/1069722697.db2.gz AOXCKOZJRXHENR-FCHUYYIVSA-N 2 2 386.580 3.995 20 0 GHADLP Cc1cc(C)cc(C(=O)c2ccccc2NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)c1 ZINC001219494872 1031458877 /nfs/dbraw/zinc/45/88/77/1031458877.db2.gz CZROQOZIEUITRI-OAQYLSRUSA-N 2 2 387.483 3.745 20 0 GHADLP Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1-n1cc[nH+]c1)CC21CC[NH2+]CC1 ZINC001219762995 1031603988 /nfs/dbraw/zinc/60/39/88/1031603988.db2.gz XPCIPBOFJCQJPY-NRFANRHFSA-N 2 2 386.499 3.677 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc(OC)c1OCc1ccccc1 ZINC001206209427 1033764053 /nfs/dbraw/zinc/76/40/53/1033764053.db2.gz FGZKAZRYBNATBR-RTBURBONSA-N 2 2 388.483 3.544 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc(OC)c1OCc1ccccc1 ZINC001206209427 1033764065 /nfs/dbraw/zinc/76/40/65/1033764065.db2.gz FGZKAZRYBNATBR-RTBURBONSA-N 2 2 388.483 3.544 20 0 GHADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)cc1N1CCCCC1 ZINC001206769037 1033975662 /nfs/dbraw/zinc/97/56/62/1033975662.db2.gz MROKOINFNABHNO-JKSUJKDBSA-N 2 2 380.374 3.999 20 0 GHADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(Br)cc1N1CCCCC1 ZINC001206769037 1033975670 /nfs/dbraw/zinc/97/56/70/1033975670.db2.gz MROKOINFNABHNO-JKSUJKDBSA-N 2 2 380.374 3.999 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1[nH+]cc3ccccn31)CC2 ZINC001207051606 1034070799 /nfs/dbraw/zinc/07/07/99/1034070799.db2.gz KZLFJAANTWZAPC-QFIPXVFZSA-N 2 2 390.531 3.590 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ncc(F)cc1F)CC2 ZINC001207095389 1034089471 /nfs/dbraw/zinc/08/94/71/1034089471.db2.gz UAYIHVIVFHAWOB-INIZCTEOSA-N 2 2 393.503 3.677 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ncc(F)cc1F)CC2 ZINC001207095389 1034089489 /nfs/dbraw/zinc/08/94/89/1034089489.db2.gz UAYIHVIVFHAWOB-INIZCTEOSA-N 2 2 393.503 3.677 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4C[C@@H]4c4ccc(Cl)cc4)C[C@H]3C2)cn1 ZINC001207187070 1034158322 /nfs/dbraw/zinc/15/83/22/1034158322.db2.gz OITNNFFUVFUCQP-NXLVEIQXSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4C[C@@H]4c4ccc(Cl)cc4)C[C@H]3C2)cn1 ZINC001207187070 1034158333 /nfs/dbraw/zinc/15/83/33/1034158333.db2.gz OITNNFFUVFUCQP-NXLVEIQXSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4C[C@@H]4c4ccc(Cl)cc4)C[C@H]3C2)cn1 ZINC001207187070 1034158341 /nfs/dbraw/zinc/15/83/41/1034158341.db2.gz OITNNFFUVFUCQP-NXLVEIQXSA-N 2 2 384.955 3.631 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H]4C[C@@H]4c4ccc(Cl)cc4)C[C@H]3C2)cn1 ZINC001207187070 1034158348 /nfs/dbraw/zinc/15/83/48/1034158348.db2.gz OITNNFFUVFUCQP-NXLVEIQXSA-N 2 2 384.955 3.631 20 0 GHADLP Clc1ccc([C@@H]2C[C@H]2C[NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC001207195818 1034167235 /nfs/dbraw/zinc/16/72/35/1034167235.db2.gz HYEDRKMURGTLBH-ICSRJNTNSA-N 2 2 397.954 3.656 20 0 GHADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2ccccc2O[C@H](C)C(=O)OC)CC1 ZINC001207334977 1034284040 /nfs/dbraw/zinc/28/40/40/1034284040.db2.gz WHZMTWCFMMAPDH-LJQANCHMSA-N 2 2 388.552 3.857 20 0 GHADLP Cc1cc(N2CC[NH+](C[C@H]3CC=C(CCCC(C)(C)O)CC3)CC2)nc(C)[nH+]1 ZINC001207408018 1034349136 /nfs/dbraw/zinc/34/91/36/1034349136.db2.gz SBCUAQWPLPHKLH-NRFANRHFSA-N 2 2 386.584 3.883 20 0 GHADLP C[NH+]1CCC(CC[N@@H+]2Cc3ccccc3C[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001207486415 1034394743 /nfs/dbraw/zinc/39/47/43/1034394743.db2.gz HPSIVUFRFQIQKB-DEOSSOPVSA-N 2 2 392.543 3.889 20 0 GHADLP C[NH+]1CCC(CC[N@H+]2Cc3ccccc3C[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001207486415 1034394755 /nfs/dbraw/zinc/39/47/55/1034394755.db2.gz HPSIVUFRFQIQKB-DEOSSOPVSA-N 2 2 392.543 3.889 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](CCc4cccc(C)c4)CC[C@@H]3C2)cs1 ZINC001207538362 1034442869 /nfs/dbraw/zinc/44/28/69/1034442869.db2.gz FDVGVHCLLXAYTQ-IFMALSPDSA-N 2 2 385.577 3.525 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](CCc4cccc(C)c4)CC[C@@H]3C2)cs1 ZINC001207538362 1034442875 /nfs/dbraw/zinc/44/28/75/1034442875.db2.gz FDVGVHCLLXAYTQ-IFMALSPDSA-N 2 2 385.577 3.525 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](CCc4cccc(C)c4)CC[C@@H]3C2)cs1 ZINC001207538362 1034442883 /nfs/dbraw/zinc/44/28/83/1034442883.db2.gz FDVGVHCLLXAYTQ-IFMALSPDSA-N 2 2 385.577 3.525 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](CCc4cccc(C)c4)CC[C@@H]3C2)cs1 ZINC001207538362 1034442891 /nfs/dbraw/zinc/44/28/91/1034442891.db2.gz FDVGVHCLLXAYTQ-IFMALSPDSA-N 2 2 385.577 3.525 20 0 GHADLP [NH3+]C1CCN(c2ccc(Nc3cccnc3OCc3ccccc3)c[nH+]2)CC1 ZINC001159321084 1034542397 /nfs/dbraw/zinc/54/23/97/1034542397.db2.gz BHRHIJHZQDMPMM-UHFFFAOYSA-N 2 2 375.476 3.727 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](CCCc1ccc(Cl)c(Cl)c1)CC2 ZINC001208834549 1035048070 /nfs/dbraw/zinc/04/80/70/1035048070.db2.gz VFLIDKVTHDYCPO-UHFFFAOYSA-N 2 2 398.378 3.602 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](CCCc1ccc(Cl)c(Cl)c1)CC2 ZINC001208834549 1035048080 /nfs/dbraw/zinc/04/80/80/1035048080.db2.gz VFLIDKVTHDYCPO-UHFFFAOYSA-N 2 2 398.378 3.602 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)[nH]1 ZINC001232077155 1035080745 /nfs/dbraw/zinc/08/07/45/1035080745.db2.gz MRWZQQYUSAZCON-QSFXBCCZSA-N 2 2 387.549 3.595 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)[nH]1 ZINC001232077155 1035080749 /nfs/dbraw/zinc/08/07/49/1035080749.db2.gz MRWZQQYUSAZCON-QSFXBCCZSA-N 2 2 387.549 3.595 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@H]3C2)[nH]1 ZINC001232077155 1035080756 /nfs/dbraw/zinc/08/07/56/1035080756.db2.gz MRWZQQYUSAZCON-QSFXBCCZSA-N 2 2 387.549 3.595 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)[nH]1 ZINC001232077155 1035080763 /nfs/dbraw/zinc/08/07/63/1035080763.db2.gz MRWZQQYUSAZCON-QSFXBCCZSA-N 2 2 387.549 3.595 20 0 GHADLP C[NH+]1CCN(C2CC[NH+](Cc3cc(F)ccc3OCc3ccccc3)CC2)CC1 ZINC001232120818 1035107511 /nfs/dbraw/zinc/10/75/11/1035107511.db2.gz UVZSLBMUNOHRTM-UHFFFAOYSA-N 2 2 397.538 3.617 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[NH+](C[C@@H]4CC[N@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208949692 1035121031 /nfs/dbraw/zinc/12/10/31/1035121031.db2.gz NJOLEESWUDAWRS-SDHSZQHLSA-N 3 2 375.560 3.572 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[NH+](C[C@@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208949692 1035121036 /nfs/dbraw/zinc/12/10/36/1035121036.db2.gz NJOLEESWUDAWRS-SDHSZQHLSA-N 3 2 375.560 3.572 20 0 GHADLP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)C2)cc1 ZINC001208949692 1035121038 /nfs/dbraw/zinc/12/10/38/1035121038.db2.gz NJOLEESWUDAWRS-SDHSZQHLSA-N 3 2 375.560 3.572 20 0 GHADLP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)C2)cc1 ZINC001208949692 1035121041 /nfs/dbraw/zinc/12/10/41/1035121041.db2.gz NJOLEESWUDAWRS-SDHSZQHLSA-N 3 2 375.560 3.572 20 0 GHADLP FC(F)(F)c1nc([C@H]2CCC[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)no1 ZINC001208950874 1035121839 /nfs/dbraw/zinc/12/18/39/1035121839.db2.gz XIGXZWVOHKWHGL-SJORKVTESA-N 2 2 394.441 3.790 20 0 GHADLP FC(F)(F)c1nc([C@H]2CCC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)no1 ZINC001208950874 1035121845 /nfs/dbraw/zinc/12/18/45/1035121845.db2.gz XIGXZWVOHKWHGL-SJORKVTESA-N 2 2 394.441 3.790 20 0 GHADLP FC(F)(F)c1nc([C@H]2CCC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)no1 ZINC001208950874 1035121850 /nfs/dbraw/zinc/12/18/50/1035121850.db2.gz XIGXZWVOHKWHGL-SJORKVTESA-N 2 2 394.441 3.790 20 0 GHADLP FC(F)(F)c1nc([C@H]2CCC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)no1 ZINC001208950874 1035121852 /nfs/dbraw/zinc/12/18/52/1035121852.db2.gz XIGXZWVOHKWHGL-SJORKVTESA-N 2 2 394.441 3.790 20 0 GHADLP FC(F)(F)c1nc([C@@H]2CCC[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)no1 ZINC001208950871 1035122265 /nfs/dbraw/zinc/12/22/65/1035122265.db2.gz XIGXZWVOHKWHGL-DLBZAZTESA-N 2 2 394.441 3.790 20 0 GHADLP FC(F)(F)c1nc([C@@H]2CCC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)no1 ZINC001208950871 1035122268 /nfs/dbraw/zinc/12/22/68/1035122268.db2.gz XIGXZWVOHKWHGL-DLBZAZTESA-N 2 2 394.441 3.790 20 0 GHADLP FC(F)(F)c1nc([C@@H]2CCC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)no1 ZINC001208950871 1035122272 /nfs/dbraw/zinc/12/22/72/1035122272.db2.gz XIGXZWVOHKWHGL-DLBZAZTESA-N 2 2 394.441 3.790 20 0 GHADLP FC(F)(F)c1nc([C@@H]2CCC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)no1 ZINC001208950871 1035122274 /nfs/dbraw/zinc/12/22/74/1035122274.db2.gz XIGXZWVOHKWHGL-DLBZAZTESA-N 2 2 394.441 3.790 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCN(c4ccc5ccccc5n4)CC3)C2)cc1 ZINC001208953489 1035125102 /nfs/dbraw/zinc/12/51/02/1035125102.db2.gz PWPBRLBGGWAMLK-QFIPXVFZSA-N 2 2 386.543 3.879 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCN(c4ccc5ccccc5n4)CC3)C2)cc1 ZINC001208953489 1035125106 /nfs/dbraw/zinc/12/51/06/1035125106.db2.gz PWPBRLBGGWAMLK-QFIPXVFZSA-N 2 2 386.543 3.879 20 0 GHADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001209002652 1035145041 /nfs/dbraw/zinc/14/50/41/1035145041.db2.gz IWQCSYGUWAUPMU-HXUWFJFHSA-N 2 2 391.531 3.731 20 0 GHADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001209002652 1035145045 /nfs/dbraw/zinc/14/50/45/1035145045.db2.gz IWQCSYGUWAUPMU-HXUWFJFHSA-N 2 2 391.531 3.731 20 0 GHADLP O=C(Nc1ccccc1)c1nc2c(s1)CC[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC001209451885 1035278264 /nfs/dbraw/zinc/27/82/64/1035278264.db2.gz VPHRGDZMDZILAA-UHFFFAOYSA-N 2 2 398.576 3.672 20 0 GHADLP O=C(Nc1ccccc1)c1nc2c(s1)CC[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC001209451885 1035278265 /nfs/dbraw/zinc/27/82/65/1035278265.db2.gz VPHRGDZMDZILAA-UHFFFAOYSA-N 2 2 398.576 3.672 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2c[nH]c4ncc(Cl)cc24)CC3)n1 ZINC001209597090 1035323681 /nfs/dbraw/zinc/32/36/81/1035323681.db2.gz FQWUGVFCMUPDCA-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2c[nH]c4ncc(Cl)cc24)CC3)n1 ZINC001209597090 1035323685 /nfs/dbraw/zinc/32/36/85/1035323685.db2.gz FQWUGVFCMUPDCA-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP [NH3+][C@H](Cc1nc(-c2ccccc2-n2cc[nH+]c2)no1)Cc1cccc(Cl)c1 ZINC001248192398 1035621484 /nfs/dbraw/zinc/62/14/84/1035621484.db2.gz OKEVZMWOMCEDFU-INIZCTEOSA-N 2 2 379.851 3.688 20 0 GHADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](Cc2ccc(-n3nccn3)cc2)CC1 ZINC001248772153 1036126598 /nfs/dbraw/zinc/12/65/98/1036126598.db2.gz KDKLWLUUMLXACB-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](Cc2ccc(-n3nccn3)cc2)CC1 ZINC001248772153 1036126606 /nfs/dbraw/zinc/12/66/06/1036126606.db2.gz KDKLWLUUMLXACB-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccc(-n3nccn3)cc2)CC1 ZINC001248772446 1036126958 /nfs/dbraw/zinc/12/69/58/1036126958.db2.gz XJRYIIDKHHREIX-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccc(-n3nccn3)cc2)CC1 ZINC001248772446 1036126965 /nfs/dbraw/zinc/12/69/65/1036126965.db2.gz XJRYIIDKHHREIX-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP O=C(c1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(Cl)c1)N1CCCC1 ZINC001243476624 1036162532 /nfs/dbraw/zinc/16/25/32/1036162532.db2.gz XDEOVDBBSMVPNN-UHFFFAOYSA-N 2 2 380.879 3.578 20 0 GHADLP Cn1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c2c1ccnc2Cl ZINC001248835310 1036192007 /nfs/dbraw/zinc/19/20/07/1036192007.db2.gz ALMDPEGXWLVKNK-GJZGRUSLSA-N 2 2 386.952 3.852 20 0 GHADLP COCOc1ccc(C(F)(F)F)cc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244637700 1036576614 /nfs/dbraw/zinc/57/66/14/1036576614.db2.gz JADZXKPLPJYXAC-QGZVFWFLSA-N 2 2 380.410 3.888 20 0 GHADLP COCOc1ccc(C(F)(F)F)cc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244637700 1036576627 /nfs/dbraw/zinc/57/66/27/1036576627.db2.gz JADZXKPLPJYXAC-QGZVFWFLSA-N 2 2 380.410 3.888 20 0 GHADLP O[C@H](C[NH2+][C@@H]1C[NH2+]C[C@H]2C[C@H]21)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001246016187 1037135458 /nfs/dbraw/zinc/13/54/58/1037135458.db2.gz SNEKUKULDOOBLN-XWYOBAOASA-N 2 2 389.326 3.796 20 0 GHADLP CCCC[C@@H](CC)COC[C@@H](O)C[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001246052066 1037163189 /nfs/dbraw/zinc/16/31/89/1037163189.db2.gz LZPJKNQFSVDSQS-KNQAVFIVSA-N 2 2 394.575 3.974 20 0 GHADLP CCCC[C@@H](CC)COC[C@@H](O)C[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001246052066 1037163200 /nfs/dbraw/zinc/16/32/00/1037163200.db2.gz LZPJKNQFSVDSQS-KNQAVFIVSA-N 2 2 394.575 3.974 20 0 GHADLP CC(C)[C@H]1C[C@H]([NH2+]C2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246426394 1037385518 /nfs/dbraw/zinc/38/55/18/1037385518.db2.gz AEHXXGQZYHOQPR-RTBURBONSA-N 3 2 383.502 3.736 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246452187 1037412023 /nfs/dbraw/zinc/41/20/23/1037412023.db2.gz CSLGYIWISFAVQF-GGAORHGYSA-N 3 2 381.539 3.882 20 0 GHADLP [NH3+]C[C@@H]([NH2+][C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1)c1ccccc1 ZINC001246506381 1037446716 /nfs/dbraw/zinc/44/67/16/1037446716.db2.gz HACIKYJDVHRDEP-CWBXHPNXSA-N 2 2 377.532 3.607 20 0 GHADLP FC(F)(F)c1cccnc1N1CC[NH+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC001246528121 1037460307 /nfs/dbraw/zinc/46/03/07/1037460307.db2.gz FWMQDMZBHKSRIF-IEBWSBKVSA-N 2 2 390.453 3.716 20 0 GHADLP Brc1ccc(C2CCC([N@@H+]3CCO[C@H]4C[NH2+]CC[C@@H]43)CC2)cc1 ZINC001246665771 1037535556 /nfs/dbraw/zinc/53/55/56/1037535556.db2.gz QGLPYHSKOFXYLB-FYOYPEGLSA-N 2 2 379.342 3.538 20 0 GHADLP Brc1ccc(C2CCC([N@H+]3CCO[C@H]4C[NH2+]CC[C@@H]43)CC2)cc1 ZINC001246665771 1037535580 /nfs/dbraw/zinc/53/55/80/1037535580.db2.gz QGLPYHSKOFXYLB-FYOYPEGLSA-N 2 2 379.342 3.538 20 0 GHADLP FC(F)(F)c1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)nc1 ZINC001246770096 1037610133 /nfs/dbraw/zinc/61/01/33/1037610133.db2.gz NOMJRVPRWFYWOA-MOPGFXCFSA-N 2 2 390.453 3.716 20 0 GHADLP FC(F)(F)c1ccc(N2CC[NH+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)CC2)nc1 ZINC001246770751 1037613835 /nfs/dbraw/zinc/61/38/35/1037613835.db2.gz SEIYMMZNJJOVJZ-QGZVFWFLSA-N 2 2 382.474 3.677 20 0 GHADLP Clc1cccc(C[NH+]2CCN([C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)c1 ZINC001246784782 1037626267 /nfs/dbraw/zinc/62/62/67/1037626267.db2.gz ZZJDOQXERYKFQD-PKTZIBPZSA-N 2 2 383.967 3.821 20 0 GHADLP Clc1cccc(CN2CC[NH+]([C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)c1 ZINC001246784782 1037626280 /nfs/dbraw/zinc/62/62/80/1037626280.db2.gz ZZJDOQXERYKFQD-PKTZIBPZSA-N 2 2 383.967 3.821 20 0 GHADLP O=C(c1ccccc1)N1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246936157 1037739112 /nfs/dbraw/zinc/73/91/12/1037739112.db2.gz MHSSGSVDPBWRCW-QHCPKHFHSA-N 2 2 395.522 3.685 20 0 GHADLP O=C(c1ccccc1)N1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246936157 1037739135 /nfs/dbraw/zinc/73/91/35/1037739135.db2.gz MHSSGSVDPBWRCW-QHCPKHFHSA-N 2 2 395.522 3.685 20 0 GHADLP CCC[NH+](CCC)CCCN1CC[NH+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC001246950984 1037752522 /nfs/dbraw/zinc/75/25/22/1037752522.db2.gz XMVYNPHTMDQFDS-RPWUZVMVSA-N 3 2 386.628 3.609 20 0 GHADLP COc1cccc2c1C[C@@H]([N@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1)CO2 ZINC001246953495 1037757944 /nfs/dbraw/zinc/75/79/44/1037757944.db2.gz AQCXRGWBKNGFCC-LJQANCHMSA-N 2 2 384.495 3.700 20 0 GHADLP COc1cccc2c1C[C@@H]([N@@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1)CO2 ZINC001246953495 1037757974 /nfs/dbraw/zinc/75/79/74/1037757974.db2.gz AQCXRGWBKNGFCC-LJQANCHMSA-N 2 2 384.495 3.700 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246957308 1037769407 /nfs/dbraw/zinc/76/94/07/1037769407.db2.gz BGVWVKGOOIJLRJ-SBHAEUEKSA-N 2 2 399.510 3.874 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246957308 1037769429 /nfs/dbraw/zinc/76/94/29/1037769429.db2.gz BGVWVKGOOIJLRJ-SBHAEUEKSA-N 2 2 399.510 3.874 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246972784 1037797267 /nfs/dbraw/zinc/79/72/67/1037797267.db2.gz IZSIDBGBWBVBFL-WIYYLYMNSA-N 3 2 386.490 3.720 20 0 GHADLP FC(F)(F)[C@@H]1C[N@H+](Cc2ccccc2)CCN1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246993164 1037818470 /nfs/dbraw/zinc/81/84/70/1037818470.db2.gz LHEWEEDGBHONKX-MOPGFXCFSA-N 2 2 381.486 3.657 20 0 GHADLP FC(F)(F)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246993164 1037818488 /nfs/dbraw/zinc/81/84/88/1037818488.db2.gz LHEWEEDGBHONKX-MOPGFXCFSA-N 2 2 381.486 3.657 20 0 GHADLP C[N@@H+]1CCCC2(CC[NH+](Cc3csc(NC(=O)OC(C)(C)C)n3)CC2)C1 ZINC001278480807 1037992010 /nfs/dbraw/zinc/99/20/10/1037992010.db2.gz SIVZEQBTQJSEBC-UHFFFAOYSA-N 2 2 380.558 3.798 20 0 GHADLP C[N@H+]1CCCC2(CC[NH+](Cc3csc(NC(=O)OC(C)(C)C)n3)CC2)C1 ZINC001278480807 1037992012 /nfs/dbraw/zinc/99/20/12/1037992012.db2.gz SIVZEQBTQJSEBC-UHFFFAOYSA-N 2 2 380.558 3.798 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(C)n1 ZINC001232334231 1038115811 /nfs/dbraw/zinc/11/58/11/1038115811.db2.gz WMUMOXAMBKJPHA-ILWGZMRPSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(C)n1 ZINC001232334231 1038115820 /nfs/dbraw/zinc/11/58/20/1038115820.db2.gz WMUMOXAMBKJPHA-ILWGZMRPSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(C)n1 ZINC001232334231 1038115829 /nfs/dbraw/zinc/11/58/29/1038115829.db2.gz WMUMOXAMBKJPHA-ILWGZMRPSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(C)n1 ZINC001232334231 1038115834 /nfs/dbraw/zinc/11/58/34/1038115834.db2.gz WMUMOXAMBKJPHA-ILWGZMRPSA-N 2 2 380.536 3.526 20 0 GHADLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)Cc1cccc(Cl)c1Cl ZINC001232365767 1038142523 /nfs/dbraw/zinc/14/25/23/1038142523.db2.gz JCADGGDXKDLVPW-UHFFFAOYSA-N 2 2 379.335 3.772 20 0 GHADLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)Cc1cccc(Cl)c1Cl ZINC001232365767 1038142531 /nfs/dbraw/zinc/14/25/31/1038142531.db2.gz JCADGGDXKDLVPW-UHFFFAOYSA-N 2 2 379.335 3.772 20 0 GHADLP c1cc2cc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCC3CC3)ncc2o1 ZINC001232550126 1038316359 /nfs/dbraw/zinc/31/63/59/1038316359.db2.gz JNXXJPCDONFRLL-URXFXBBRSA-N 2 2 395.547 3.788 20 0 GHADLP c1cc2cc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCC3CC3)ncc2o1 ZINC001232550126 1038316376 /nfs/dbraw/zinc/31/63/76/1038316376.db2.gz JNXXJPCDONFRLL-URXFXBBRSA-N 2 2 395.547 3.788 20 0 GHADLP c1cc2cc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)ncc2o1 ZINC001232550126 1038316387 /nfs/dbraw/zinc/31/63/87/1038316387.db2.gz JNXXJPCDONFRLL-URXFXBBRSA-N 2 2 395.547 3.788 20 0 GHADLP c1cc2cc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)ncc2o1 ZINC001232550126 1038316402 /nfs/dbraw/zinc/31/64/02/1038316402.db2.gz JNXXJPCDONFRLL-URXFXBBRSA-N 2 2 395.547 3.788 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4ccoc4cn3)C[C@H]21 ZINC001232551529 1038319505 /nfs/dbraw/zinc/31/95/05/1038319505.db2.gz RAGGYNDASQYMLN-VLCRHTCISA-N 2 2 376.504 3.955 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4ccoc4cn3)C[C@H]21 ZINC001232551529 1038319517 /nfs/dbraw/zinc/31/95/17/1038319517.db2.gz RAGGYNDASQYMLN-VLCRHTCISA-N 2 2 376.504 3.955 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4ccoc4cn3)C[C@H]21 ZINC001232551529 1038319530 /nfs/dbraw/zinc/31/95/30/1038319530.db2.gz RAGGYNDASQYMLN-VLCRHTCISA-N 2 2 376.504 3.955 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4ccoc4cn3)C[C@H]21 ZINC001232551529 1038319544 /nfs/dbraw/zinc/31/95/44/1038319544.db2.gz RAGGYNDASQYMLN-VLCRHTCISA-N 2 2 376.504 3.955 20 0 GHADLP COc1cc(O)cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001232802574 1038565210 /nfs/dbraw/zinc/56/52/10/1038565210.db2.gz CGLVRFFAYYHTII-TZYHBYERSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001232802574 1038565217 /nfs/dbraw/zinc/56/52/17/1038565217.db2.gz CGLVRFFAYYHTII-TZYHBYERSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)cc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001232802574 1038565226 /nfs/dbraw/zinc/56/52/26/1038565226.db2.gz CGLVRFFAYYHTII-TZYHBYERSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)cc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001232802574 1038565233 /nfs/dbraw/zinc/56/52/33/1038565233.db2.gz CGLVRFFAYYHTII-TZYHBYERSA-N 2 2 381.520 3.528 20 0 GHADLP Fc1cccc(-c2ccc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)cn2)c1 ZINC001232885625 1038662753 /nfs/dbraw/zinc/66/27/53/1038662753.db2.gz ZXSSDVUMVCEFMF-NHCUHLMSSA-N 2 2 388.490 3.847 20 0 GHADLP FC(F)(F)c1cccc(-n2cc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cn2)c1 ZINC001233040798 1038796519 /nfs/dbraw/zinc/79/65/19/1038796519.db2.gz PFWZWCDEFTXNEO-UHFFFAOYSA-N 2 2 387.409 3.608 20 0 GHADLP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001233098597 1038875745 /nfs/dbraw/zinc/87/57/45/1038875745.db2.gz MMLBGPCBFKSCTO-UHFFFAOYSA-N 2 2 375.900 3.526 20 0 GHADLP CCOc1ccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)cc1Cl ZINC001278669967 1039012641 /nfs/dbraw/zinc/01/26/41/1039012641.db2.gz VRKWWIJQNOGFID-UHFFFAOYSA-N 2 2 379.976 3.588 20 0 GHADLP COCC[N@H+](Cc1ccc(NC(=O)OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001233338963 1039141895 /nfs/dbraw/zinc/14/18/95/1039141895.db2.gz MCSAJUHAVOVZCL-UHFFFAOYSA-N 2 2 377.529 3.576 20 0 GHADLP COCC[N@@H+](Cc1ccc(NC(=O)OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001233338963 1039141898 /nfs/dbraw/zinc/14/18/98/1039141898.db2.gz MCSAJUHAVOVZCL-UHFFFAOYSA-N 2 2 377.529 3.576 20 0 GHADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)c(I)c2)CC1 ZINC001233355173 1039173514 /nfs/dbraw/zinc/17/35/14/1039173514.db2.gz LADWZBZDPXZYFI-UHFFFAOYSA-N 2 2 392.712 3.861 20 0 GHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)c(I)c2)CC1 ZINC001233355173 1039173515 /nfs/dbraw/zinc/17/35/15/1039173515.db2.gz LADWZBZDPXZYFI-UHFFFAOYSA-N 2 2 392.712 3.861 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(F)c(F)cc3N)C[C@@H]21 ZINC001233380629 1039205584 /nfs/dbraw/zinc/20/55/84/1039205584.db2.gz XUBSQPAQDLYWKT-LZFQIVBZSA-N 2 2 386.490 3.675 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(F)c(F)cc3N)C[C@@H]21 ZINC001233380629 1039205599 /nfs/dbraw/zinc/20/55/99/1039205599.db2.gz XUBSQPAQDLYWKT-LZFQIVBZSA-N 2 2 386.490 3.675 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)c(F)cc3N)C[C@@H]21 ZINC001233380629 1039205612 /nfs/dbraw/zinc/20/56/12/1039205612.db2.gz XUBSQPAQDLYWKT-LZFQIVBZSA-N 2 2 386.490 3.675 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3N)C[C@@H]21 ZINC001233380629 1039205627 /nfs/dbraw/zinc/20/56/27/1039205627.db2.gz XUBSQPAQDLYWKT-LZFQIVBZSA-N 2 2 386.490 3.675 20 0 GHADLP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC001252945309 1039289677 /nfs/dbraw/zinc/28/96/77/1039289677.db2.gz BIVNBKCIZPKVNU-HXUWFJFHSA-N 2 2 378.438 3.740 20 0 GHADLP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC001252945309 1039289693 /nfs/dbraw/zinc/28/96/93/1039289693.db2.gz BIVNBKCIZPKVNU-HXUWFJFHSA-N 2 2 378.438 3.740 20 0 GHADLP CC(C)(C)OC(=O)n1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001233431168 1039302444 /nfs/dbraw/zinc/30/24/44/1039302444.db2.gz NXMXHOKPYGLIIF-RTWAWAEBSA-N 2 2 396.535 3.620 20 0 GHADLP CC(C)(C)OC(=O)n1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001233431168 1039302462 /nfs/dbraw/zinc/30/24/62/1039302462.db2.gz NXMXHOKPYGLIIF-RTWAWAEBSA-N 2 2 396.535 3.620 20 0 GHADLP CC(C)(C)OC(=O)n1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001233431168 1039302482 /nfs/dbraw/zinc/30/24/82/1039302482.db2.gz NXMXHOKPYGLIIF-RTWAWAEBSA-N 2 2 396.535 3.620 20 0 GHADLP CC(C)(C)OC(=O)n1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001233431168 1039302495 /nfs/dbraw/zinc/30/24/95/1039302495.db2.gz NXMXHOKPYGLIIF-RTWAWAEBSA-N 2 2 396.535 3.620 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](C[C@@](C)(O)c1ccccc1)C2 ZINC001253099165 1039423408 /nfs/dbraw/zinc/42/34/08/1039423408.db2.gz FZWKMHOSHDIEJN-XMMPIXPASA-N 2 2 391.515 3.572 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](C[C@@](C)(O)c1ccccc1)C2 ZINC001253099165 1039423411 /nfs/dbraw/zinc/42/34/11/1039423411.db2.gz FZWKMHOSHDIEJN-XMMPIXPASA-N 2 2 391.515 3.572 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](C[C@@](C)(O)c1ccccc1)C2 ZINC001253099165 1039423416 /nfs/dbraw/zinc/42/34/16/1039423416.db2.gz FZWKMHOSHDIEJN-XMMPIXPASA-N 2 2 391.515 3.572 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](C[C@@](C)(O)c1ccccc1)C2 ZINC001253099165 1039423423 /nfs/dbraw/zinc/42/34/23/1039423423.db2.gz FZWKMHOSHDIEJN-XMMPIXPASA-N 2 2 391.515 3.572 20 0 GHADLP COc1ccccc1OC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)CC1 ZINC001234074980 1039810710 /nfs/dbraw/zinc/81/07/10/1039810710.db2.gz FGMZNJFEXKLBIZ-UHFFFAOYSA-N 2 2 393.487 3.933 20 0 GHADLP COc1cc(C[NH+]2CCC3(Cc4ccccc4O3)CC2)ccc1-n1cc[nH+]c1 ZINC001234076494 1039816202 /nfs/dbraw/zinc/81/62/02/1039816202.db2.gz YMWITWSGHMZMOK-UHFFFAOYSA-N 2 2 375.472 3.851 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)C1 ZINC001254209431 1040063879 /nfs/dbraw/zinc/06/38/79/1040063879.db2.gz MNOGQQPADSBREN-QGZVFWFLSA-N 2 2 392.519 3.569 20 0 GHADLP Brc1ccc2c(c1)C[C@H]([NH2+]CC1CCN(c3cccc[nH+]3)CC1)C2 ZINC001254269918 1040114446 /nfs/dbraw/zinc/11/44/46/1040114446.db2.gz NHHJJJFPPIUMHG-LJQANCHMSA-N 2 2 386.337 3.818 20 0 GHADLP Cc1ccc(N([C@@H]2Cc3ccc(Br)cc3C2)C2CC[NH2+]CC2)[nH+]c1 ZINC001254286059 1040134850 /nfs/dbraw/zinc/13/48/50/1040134850.db2.gz HEDVDRLDYYPKOC-LJQANCHMSA-N 2 2 386.337 3.878 20 0 GHADLP CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254622124 1040394317 /nfs/dbraw/zinc/39/43/17/1040394317.db2.gz VBGADCYBJLHIAN-RPWUZVMVSA-N 2 2 397.538 3.674 20 0 GHADLP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254622124 1040394333 /nfs/dbraw/zinc/39/43/33/1040394333.db2.gz VBGADCYBJLHIAN-RPWUZVMVSA-N 2 2 397.538 3.674 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1CCN(c3ccc(F)cc3)CC1)[C@@H]2C ZINC001254624811 1040398743 /nfs/dbraw/zinc/39/87/43/1040398743.db2.gz BFDMZOQWVBJMOZ-GOSISDBHSA-N 2 2 399.558 3.908 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CCN(c3ccc(F)cc3)CC1)[C@@H]2C ZINC001254624811 1040398749 /nfs/dbraw/zinc/39/87/49/1040398749.db2.gz BFDMZOQWVBJMOZ-GOSISDBHSA-N 2 2 399.558 3.908 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1CCN(c3ccc(F)cc3)CC1)[C@@H]2C ZINC001254624811 1040398776 /nfs/dbraw/zinc/39/87/76/1040398776.db2.gz BFDMZOQWVBJMOZ-GOSISDBHSA-N 2 2 399.558 3.908 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CC[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001254758987 1040519973 /nfs/dbraw/zinc/51/99/73/1040519973.db2.gz ZXZGGFAQNAUOFT-SFHVURJKSA-N 2 2 382.508 3.752 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)c2cc(Br)ccc21 ZINC001235093649 1040583620 /nfs/dbraw/zinc/58/36/20/1040583620.db2.gz ZAGXBELKYWORNX-KRWDZBQOSA-N 2 2 398.295 3.762 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)c2cc(Br)ccc21 ZINC001235093649 1040583638 /nfs/dbraw/zinc/58/36/38/1040583638.db2.gz ZAGXBELKYWORNX-KRWDZBQOSA-N 2 2 398.295 3.762 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@@H+]3CCC34CC[NH2+]CC4)cn2)cc1 ZINC001235102047 1040590391 /nfs/dbraw/zinc/59/03/91/1040590391.db2.gz KTAIFUFIGOYMOM-UHFFFAOYSA-N 2 2 377.410 3.975 20 0 GHADLP FC(F)(F)Oc1ccc(-c2ccc(C[N@H+]3CCC34CC[NH2+]CC4)cn2)cc1 ZINC001235102047 1040590408 /nfs/dbraw/zinc/59/04/08/1040590408.db2.gz KTAIFUFIGOYMOM-UHFFFAOYSA-N 2 2 377.410 3.975 20 0 GHADLP Brc1cccc(CC2([NH2+][C@@H]3CC4CC[NH+](CC4)C3)CCOCC2)c1 ZINC001254846532 1040590602 /nfs/dbraw/zinc/59/06/02/1040590602.db2.gz WDQCYMJOKHERAQ-LJQANCHMSA-N 2 2 393.369 3.615 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(Oc5cccnc5)cc4)C[C@H]3C2)nc1 ZINC001235113353 1040598216 /nfs/dbraw/zinc/59/82/16/1040598216.db2.gz YJFMEXYOSCUSDM-OYRHEFFESA-N 2 2 386.499 3.833 20 0 GHADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(Oc5cccnc5)cc4)C[C@H]3C2)nc1 ZINC001235113353 1040598227 /nfs/dbraw/zinc/59/82/27/1040598227.db2.gz YJFMEXYOSCUSDM-OYRHEFFESA-N 2 2 386.499 3.833 20 0 GHADLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(Oc5cccnc5)cc4)C[C@H]3C2)nc1 ZINC001235113353 1040598247 /nfs/dbraw/zinc/59/82/47/1040598247.db2.gz YJFMEXYOSCUSDM-OYRHEFFESA-N 2 2 386.499 3.833 20 0 GHADLP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(Oc5cccnc5)cc4)C[C@H]3C2)nc1 ZINC001235113353 1040598267 /nfs/dbraw/zinc/59/82/67/1040598267.db2.gz YJFMEXYOSCUSDM-OYRHEFFESA-N 2 2 386.499 3.833 20 0 GHADLP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@@H+]1CCCC12CC[NH2+]CC2 ZINC001235145963 1040639966 /nfs/dbraw/zinc/63/99/66/1040639966.db2.gz ZLTAEWWPRNDQFZ-UHFFFAOYSA-N 2 2 375.900 3.716 20 0 GHADLP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235145963 1040639990 /nfs/dbraw/zinc/63/99/90/1040639990.db2.gz ZLTAEWWPRNDQFZ-UHFFFAOYSA-N 2 2 375.900 3.716 20 0 GHADLP Brc1cc(CN2CCCC[C@@]23CCC[NH2+]C3)ccc1-n1cc[nH+]c1 ZINC001235177399 1040668357 /nfs/dbraw/zinc/66/83/57/1040668357.db2.gz INGOWPSBNHSUKD-IBGZPJMESA-N 2 2 389.341 3.743 20 0 GHADLP O=C1Nc2cc(Cl)ccc2C[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255128358 1040822281 /nfs/dbraw/zinc/82/22/81/1040822281.db2.gz BTUKUCLAHWXCNG-KEZQHZCBSA-N 2 2 395.934 3.988 20 0 GHADLP O=C1Nc2cc(Cl)ccc2C[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255128358 1040822290 /nfs/dbraw/zinc/82/22/90/1040822290.db2.gz BTUKUCLAHWXCNG-KEZQHZCBSA-N 2 2 395.934 3.988 20 0 GHADLP COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1OC ZINC001235379230 1040900081 /nfs/dbraw/zinc/90/00/81/1040900081.db2.gz BUFXKOGOFGTQGG-KNQAVFIVSA-N 2 2 386.923 3.936 20 0 GHADLP COc1cc(Cl)cc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1OC ZINC001235379230 1040900082 /nfs/dbraw/zinc/90/00/82/1040900082.db2.gz BUFXKOGOFGTQGG-KNQAVFIVSA-N 2 2 386.923 3.936 20 0 GHADLP Brc1ccc2c(c1)[nH]nc2C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431127 1040932594 /nfs/dbraw/zinc/93/25/94/1040932594.db2.gz VBKAIGABGSZMKW-KBPBESRZSA-N 2 2 377.330 3.537 20 0 GHADLP Brc1ccc2c(c1)[nH]nc2C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431127 1040932597 /nfs/dbraw/zinc/93/25/97/1040932597.db2.gz VBKAIGABGSZMKW-KBPBESRZSA-N 2 2 377.330 3.537 20 0 GHADLP COc1ccccc1N1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255398920 1040984982 /nfs/dbraw/zinc/98/49/82/1040984982.db2.gz MTSUXIVOHCEMNP-QFIPXVFZSA-N 2 2 379.548 3.872 20 0 GHADLP COc1ccccc1N1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255398920 1040984987 /nfs/dbraw/zinc/98/49/87/1040984987.db2.gz MTSUXIVOHCEMNP-QFIPXVFZSA-N 2 2 379.548 3.872 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001235557201 1040985287 /nfs/dbraw/zinc/98/52/87/1040985287.db2.gz GEIGSGXQGWZQBZ-QQXMDYFESA-N 3 2 397.579 3.771 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001235557201 1040985289 /nfs/dbraw/zinc/98/52/89/1040985289.db2.gz GEIGSGXQGWZQBZ-QQXMDYFESA-N 3 2 397.579 3.771 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001235557201 1040985290 /nfs/dbraw/zinc/98/52/90/1040985290.db2.gz GEIGSGXQGWZQBZ-QQXMDYFESA-N 3 2 397.579 3.771 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001235557201 1040985293 /nfs/dbraw/zinc/98/52/93/1040985293.db2.gz GEIGSGXQGWZQBZ-QQXMDYFESA-N 3 2 397.579 3.771 20 0 GHADLP FC(F)(F)Oc1ccccc1C[N@@H+]1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001235564060 1040990887 /nfs/dbraw/zinc/99/08/87/1040990887.db2.gz GIRSEUYPPGBERT-UHFFFAOYSA-N 2 2 394.441 3.830 20 0 GHADLP FC(F)(F)Oc1ccccc1C[N@H+]1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001235564060 1040990888 /nfs/dbraw/zinc/99/08/88/1040990888.db2.gz GIRSEUYPPGBERT-UHFFFAOYSA-N 2 2 394.441 3.830 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@H](c3nnc([C@@H]4CCCN(c5cccc[nH+]5)C4)o3)C2)cc1 ZINC001255414304 1041007149 /nfs/dbraw/zinc/00/71/49/1041007149.db2.gz KYIWFNJUZVKBPE-UXHICEINSA-N 2 2 389.503 3.838 20 0 GHADLP c1ccc(C[N@H+]2CC[C@H](c3nnc([C@@H]4CCCN(c5cccc[nH+]5)C4)o3)C2)cc1 ZINC001255414304 1041007171 /nfs/dbraw/zinc/00/71/71/1041007171.db2.gz KYIWFNJUZVKBPE-UXHICEINSA-N 2 2 389.503 3.838 20 0 GHADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)c(Cl)c(Cl)c1 ZINC001235603069 1041020301 /nfs/dbraw/zinc/02/03/01/1041020301.db2.gz RDSHASNSKXXATC-UHFFFAOYSA-N 2 2 381.731 3.964 20 0 GHADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)c(Cl)c(Cl)c1 ZINC001235603069 1041020333 /nfs/dbraw/zinc/02/03/33/1041020333.db2.gz RDSHASNSKXXATC-UHFFFAOYSA-N 2 2 381.731 3.964 20 0 GHADLP CC1(C)C[C@H]([N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542477 1041119337 /nfs/dbraw/zinc/11/93/37/1041119337.db2.gz HMPNLNSSFXYCRK-QUCCMNQESA-N 2 2 379.495 3.572 20 0 GHADLP CC1(C)C[C@H]([N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542477 1041119355 /nfs/dbraw/zinc/11/93/55/1041119355.db2.gz HMPNLNSSFXYCRK-QUCCMNQESA-N 2 2 379.495 3.572 20 0 GHADLP CC1(C)C[C@H]([NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542477 1041119364 /nfs/dbraw/zinc/11/93/64/1041119364.db2.gz HMPNLNSSFXYCRK-QUCCMNQESA-N 2 2 379.495 3.572 20 0 GHADLP CC1(C)C[C@H]([NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542477 1041119371 /nfs/dbraw/zinc/11/93/71/1041119371.db2.gz HMPNLNSSFXYCRK-QUCCMNQESA-N 2 2 379.495 3.572 20 0 GHADLP Oc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1OC(F)(F)F ZINC001235668992 1041125208 /nfs/dbraw/zinc/12/52/08/1041125208.db2.gz SSSKWQJTONDMTC-GJZGRUSLSA-N 2 2 398.450 3.916 20 0 GHADLP Fc1ccc2[nH]c(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccccc3)CCO4)nc2c1 ZINC001235694241 1041170122 /nfs/dbraw/zinc/17/01/22/1041170122.db2.gz ZNYFSLZHHHBQFE-UHFFFAOYSA-N 2 2 394.494 3.569 20 0 GHADLP Fc1ccc2[nH]c(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccccc3)CCO4)nc2c1 ZINC001235694241 1041170140 /nfs/dbraw/zinc/17/01/40/1041170140.db2.gz ZNYFSLZHHHBQFE-UHFFFAOYSA-N 2 2 394.494 3.569 20 0 GHADLP C[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001255642280 1041185488 /nfs/dbraw/zinc/18/54/88/1041185488.db2.gz WJROAGMGWZNSQF-PXNSSMCTSA-N 2 2 380.454 3.980 20 0 GHADLP CC1([NH+]2CCN(Cc3cccc(C(F)(F)F)c3Cl)CC2)CC[NH2+]CC1 ZINC001235816729 1041332668 /nfs/dbraw/zinc/33/26/68/1041332668.db2.gz XRAZQIYXBBKFOX-UHFFFAOYSA-N 2 2 375.866 3.619 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001255970224 1041448896 /nfs/dbraw/zinc/44/88/96/1041448896.db2.gz ANJRPNXVGXZZQZ-ARFHVFGLSA-N 2 2 395.510 3.884 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001255970224 1041448905 /nfs/dbraw/zinc/44/89/05/1041448905.db2.gz ANJRPNXVGXZZQZ-ARFHVFGLSA-N 2 2 395.510 3.884 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+](C2CC2)C2CC[NH+](C3CC3)CC2)C1 ZINC001256083430 1041514419 /nfs/dbraw/zinc/51/44/19/1041514419.db2.gz UWIIIAFNJFNPPJ-QGZVFWFLSA-N 2 2 377.573 3.725 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+](C2CC2)C2CC[NH+](C3CC3)CC2)C1 ZINC001256083430 1041514424 /nfs/dbraw/zinc/51/44/24/1041514424.db2.gz UWIIIAFNJFNPPJ-QGZVFWFLSA-N 2 2 377.573 3.725 20 0 GHADLP COc1cccc(C[C@H](C)[NH2+]CCSCc2csc(C[NH+](C)C)n2)c1 ZINC001256146082 1041583202 /nfs/dbraw/zinc/58/32/02/1041583202.db2.gz SQFXSCBQGSZHDE-HNNXBMFYSA-N 2 2 379.595 3.667 20 0 GHADLP C[NH+](C)Cc1c[nH]c2nccc(-c3cccc(Cl)c3C[NH+]3CCOCC3)c12 ZINC001236275314 1041651769 /nfs/dbraw/zinc/65/17/69/1041651769.db2.gz BEUKOVFVNRWXOX-UHFFFAOYSA-N 2 2 384.911 3.729 20 0 GHADLP COCC[N@H+]([C@H](C)CCc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC001256227483 1041661902 /nfs/dbraw/zinc/66/19/02/1041661902.db2.gz VWUYQOJRCOBVHY-MRXNPFEDSA-N 2 2 383.374 3.813 20 0 GHADLP COCC[N@@H+]([C@H](C)CCc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC001256227483 1041661909 /nfs/dbraw/zinc/66/19/09/1041661909.db2.gz VWUYQOJRCOBVHY-MRXNPFEDSA-N 2 2 383.374 3.813 20 0 GHADLP Brc1ccn2c(C[N@H+](Cc3ccccc3)C3CC[NH2+]CC3)cnc2c1 ZINC001236300957 1041665209 /nfs/dbraw/zinc/66/52/09/1041665209.db2.gz RRDGOZXNHDFOMF-UHFFFAOYSA-N 2 2 399.336 3.851 20 0 GHADLP Brc1ccn2c(C[N@@H+](Cc3ccccc3)C3CC[NH2+]CC3)cnc2c1 ZINC001236300957 1041665212 /nfs/dbraw/zinc/66/52/12/1041665212.db2.gz RRDGOZXNHDFOMF-UHFFFAOYSA-N 2 2 399.336 3.851 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001236322318 1041671357 /nfs/dbraw/zinc/67/13/57/1041671357.db2.gz XFMKYBLMZBCOQB-DYVFJYSZSA-N 2 2 380.870 3.510 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001236322318 1041671361 /nfs/dbraw/zinc/67/13/61/1041671361.db2.gz XFMKYBLMZBCOQB-DYVFJYSZSA-N 2 2 380.870 3.510 20 0 GHADLP COc1ccc(C[N@H+](Cc2[nH]nc3cc(Cl)ccc32)C2CC[NH2+]CC2)cc1 ZINC001236448746 1041717058 /nfs/dbraw/zinc/71/70/58/1041717058.db2.gz XTWUGEXXOAMWSS-UHFFFAOYSA-N 2 2 384.911 3.979 20 0 GHADLP COc1ccc(C[N@@H+](Cc2[nH]nc3cc(Cl)ccc32)C2CC[NH2+]CC2)cc1 ZINC001236448746 1041717062 /nfs/dbraw/zinc/71/70/62/1041717062.db2.gz XTWUGEXXOAMWSS-UHFFFAOYSA-N 2 2 384.911 3.979 20 0 GHADLP C[C@@H](Cc1ccccn1)[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001256417434 1041725749 /nfs/dbraw/zinc/72/57/49/1041725749.db2.gz UIMCEVBBMLNOSS-RXVVDRJESA-N 2 2 386.490 3.641 20 0 GHADLP C[C@@H](Cc1ccccn1)[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001256417434 1041725760 /nfs/dbraw/zinc/72/57/60/1041725760.db2.gz UIMCEVBBMLNOSS-RXVVDRJESA-N 2 2 386.490 3.641 20 0 GHADLP C[C@@H](Cc1ccccn1)[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001256417434 1041725767 /nfs/dbraw/zinc/72/57/67/1041725767.db2.gz UIMCEVBBMLNOSS-RXVVDRJESA-N 2 2 386.490 3.641 20 0 GHADLP C[C@@H](Cc1ccccn1)[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001256417434 1041725773 /nfs/dbraw/zinc/72/57/73/1041725773.db2.gz UIMCEVBBMLNOSS-RXVVDRJESA-N 2 2 386.490 3.641 20 0 GHADLP Cc1c(CN(Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)[nH+]c2ccccn12 ZINC001236495480 1041738884 /nfs/dbraw/zinc/73/88/84/1041738884.db2.gz RNFMEGSRJNXJEC-UHFFFAOYSA-N 2 2 388.437 3.814 20 0 GHADLP COc1cc(C[N@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)cc2c1OCO2 ZINC001236520815 1041751376 /nfs/dbraw/zinc/75/13/76/1041751376.db2.gz AXBQNFQUNCZYID-UHFFFAOYSA-N 2 2 386.467 3.626 20 0 GHADLP COc1cc(C[N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)cc2c1OCO2 ZINC001236520815 1041751383 /nfs/dbraw/zinc/75/13/83/1041751383.db2.gz AXBQNFQUNCZYID-UHFFFAOYSA-N 2 2 386.467 3.626 20 0 GHADLP CC(C)C1=[NH+]CCc2ccc(-c3ccc(C(=O)N4CC[NH+](C)CC4)cc3)cc21 ZINC001236559371 1041762087 /nfs/dbraw/zinc/76/20/87/1041762087.db2.gz WLJVYLVHCNHXFC-UHFFFAOYSA-N 2 2 375.516 3.742 20 0 GHADLP CC(C)Oc1ncc(Br)cc1C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236647226 1041801376 /nfs/dbraw/zinc/80/13/76/1041801376.db2.gz LEACUCYNCFOPDR-UHFFFAOYSA-N 2 2 382.346 3.738 20 0 GHADLP CC(C)Oc1ncc(Br)cc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236647226 1041801384 /nfs/dbraw/zinc/80/13/84/1041801384.db2.gz LEACUCYNCFOPDR-UHFFFAOYSA-N 2 2 382.346 3.738 20 0 GHADLP COc1ccccc1C[N@H+](Cc1ccc(F)c(O)c1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711499 1041848527 /nfs/dbraw/zinc/84/85/27/1041848527.db2.gz QQLMSEHOAPSLJG-QAQDUYKDSA-N 2 2 376.447 3.951 20 0 GHADLP COc1ccccc1C[N@@H+](Cc1ccc(F)c(O)c1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711499 1041848533 /nfs/dbraw/zinc/84/85/33/1041848533.db2.gz QQLMSEHOAPSLJG-QAQDUYKDSA-N 2 2 376.447 3.951 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4cccc5ccoc54)CC[C@@H]3C2)cs1 ZINC001236732736 1041863410 /nfs/dbraw/zinc/86/34/10/1041863410.db2.gz LTGILIDABTWQHC-WIYYLYMNSA-N 2 2 397.544 3.921 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4cccc5ccoc54)CC[C@@H]3C2)cs1 ZINC001236732736 1041863415 /nfs/dbraw/zinc/86/34/15/1041863415.db2.gz LTGILIDABTWQHC-WIYYLYMNSA-N 2 2 397.544 3.921 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4cccc5ccoc54)CC[C@@H]3C2)cs1 ZINC001236732736 1041863416 /nfs/dbraw/zinc/86/34/16/1041863416.db2.gz LTGILIDABTWQHC-WIYYLYMNSA-N 2 2 397.544 3.921 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4cccc5ccoc54)CC[C@@H]3C2)cs1 ZINC001236732736 1041863423 /nfs/dbraw/zinc/86/34/23/1041863423.db2.gz LTGILIDABTWQHC-WIYYLYMNSA-N 2 2 397.544 3.921 20 0 GHADLP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(N3CC[NH+](C)CC3)c2)CC1 ZINC001236898689 1041945290 /nfs/dbraw/zinc/94/52/90/1041945290.db2.gz NPXOKOJBOZJQHW-UHFFFAOYSA-N 3 2 392.591 3.535 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(N3CC[NH+](C)CC3)c2)CC1 ZINC001236898689 1041945293 /nfs/dbraw/zinc/94/52/93/1041945293.db2.gz NPXOKOJBOZJQHW-UHFFFAOYSA-N 3 2 392.591 3.535 20 0 GHADLP CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236905857 1041949481 /nfs/dbraw/zinc/94/94/81/1041949481.db2.gz QOYYIAZNBYDCFW-NRFANRHFSA-N 2 2 386.927 3.893 20 0 GHADLP CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236905857 1041949485 /nfs/dbraw/zinc/94/94/85/1041949485.db2.gz QOYYIAZNBYDCFW-NRFANRHFSA-N 2 2 386.927 3.893 20 0 GHADLP O=C1OC2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC2)c2cccnc21 ZINC001236912379 1041954225 /nfs/dbraw/zinc/95/42/25/1041954225.db2.gz QJTUKEXYKPXZLD-UHFFFAOYSA-N 2 2 394.862 3.582 20 0 GHADLP Fc1ccccc1-c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cn1 ZINC001236989533 1041979908 /nfs/dbraw/zinc/97/99/08/1041979908.db2.gz PYUNKOUQNNHQSJ-NHCUHLMSSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(-c2cncc(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c2)cc1 ZINC001237001602 1041986063 /nfs/dbraw/zinc/98/60/63/1041986063.db2.gz UDCBCAOTXVYHPD-SZPZYZBQSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(-c2cncc(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c2)cc1 ZINC001237001602 1041986069 /nfs/dbraw/zinc/98/60/69/1041986069.db2.gz UDCBCAOTXVYHPD-SZPZYZBQSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(-c2cncc(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)c2)cc1 ZINC001237001602 1041986074 /nfs/dbraw/zinc/98/60/74/1041986074.db2.gz UDCBCAOTXVYHPD-SZPZYZBQSA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccc(-c2cncc(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)c2)cc1 ZINC001237001602 1041986077 /nfs/dbraw/zinc/98/60/77/1041986077.db2.gz UDCBCAOTXVYHPD-SZPZYZBQSA-N 2 2 388.490 3.847 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001237042472 1042002834 /nfs/dbraw/zinc/00/28/34/1042002834.db2.gz MRTILWAHHHIUEH-KMFMINBZSA-N 2 2 376.413 3.816 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001237042472 1042002837 /nfs/dbraw/zinc/00/28/37/1042002837.db2.gz MRTILWAHHHIUEH-KMFMINBZSA-N 2 2 376.413 3.816 20 0 GHADLP Fc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1N1CCCC1 ZINC001237097181 1042033369 /nfs/dbraw/zinc/03/33/69/1042033369.db2.gz XPHYGFNHPVLFJO-VXKWHMMOSA-N 2 2 379.523 3.990 20 0 GHADLP CCOC(=O)C1CCN(c2ccccc2C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)CC1 ZINC001237154751 1042067536 /nfs/dbraw/zinc/06/75/36/1042067536.db2.gz FSKHVCICUNPDTM-QFIPXVFZSA-N 2 2 399.579 3.573 20 0 GHADLP CCOC(=O)C1CCN(c2ccccc2C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)CC1 ZINC001237154751 1042067545 /nfs/dbraw/zinc/06/75/45/1042067545.db2.gz FSKHVCICUNPDTM-QFIPXVFZSA-N 2 2 399.579 3.573 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3c(C)cc(F)cc3C)CC2)CC1 ZINC001237316619 1042143444 /nfs/dbraw/zinc/14/34/44/1042143444.db2.gz FYJHCWDRLPENSS-UHFFFAOYSA-N 2 2 376.516 3.682 20 0 GHADLP CCOC(=O)c1csc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001237354725 1042165749 /nfs/dbraw/zinc/16/57/49/1042165749.db2.gz IRKIGCPBJSTMHT-OALUTQOASA-N 2 2 399.560 3.664 20 0 GHADLP CCOC(=O)c1csc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001237354725 1042165750 /nfs/dbraw/zinc/16/57/50/1042165750.db2.gz IRKIGCPBJSTMHT-OALUTQOASA-N 2 2 399.560 3.664 20 0 GHADLP CCOC(=O)c1csc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001237354725 1042165751 /nfs/dbraw/zinc/16/57/51/1042165751.db2.gz IRKIGCPBJSTMHT-OALUTQOASA-N 2 2 399.560 3.664 20 0 GHADLP CCOC(=O)c1csc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001237354725 1042165752 /nfs/dbraw/zinc/16/57/52/1042165752.db2.gz IRKIGCPBJSTMHT-OALUTQOASA-N 2 2 399.560 3.664 20 0 GHADLP CCc1[nH]ncc1C[NH+]1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001237653920 1042306060 /nfs/dbraw/zinc/30/60/60/1042306060.db2.gz UHXQGMJMTLPGCP-UHFFFAOYSA-N 2 2 382.552 3.618 20 0 GHADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc3c(c1)N(C(=O)OC(C)(C)C)CCC3)C2 ZINC001237716958 1042340057 /nfs/dbraw/zinc/34/00/57/1042340057.db2.gz BUQSMNBQFFWYLV-AUSIDOKSSA-N 2 2 385.552 3.758 20 0 GHADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc3c(c1)N(C(=O)OC(C)(C)C)CCC3)C2 ZINC001237716958 1042340064 /nfs/dbraw/zinc/34/00/64/1042340064.db2.gz BUQSMNBQFFWYLV-AUSIDOKSSA-N 2 2 385.552 3.758 20 0 GHADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CC4CC3(C(=O)NCc3ccco3)C4)cc21 ZINC001237877451 1042405438 /nfs/dbraw/zinc/40/54/38/1042405438.db2.gz NPZAAHFPDQEECC-UHFFFAOYSA-N 2 2 391.515 3.562 20 0 GHADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC4CC3(C(=O)NCc3ccco3)C4)cc21 ZINC001237877451 1042405443 /nfs/dbraw/zinc/40/54/43/1042405443.db2.gz NPZAAHFPDQEECC-UHFFFAOYSA-N 2 2 391.515 3.562 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3ccc(COc4ccccc4)cc3)CC2)nc(C)[nH+]1 ZINC001237926660 1042424852 /nfs/dbraw/zinc/42/48/52/1042424852.db2.gz QLZWFJONNWGNQB-UHFFFAOYSA-N 2 2 388.515 3.995 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2[nH]nc4cc(Cl)ccc42)CC3)cn1 ZINC001237994701 1042448358 /nfs/dbraw/zinc/44/83/58/1042448358.db2.gz JTSSFRJCBVISBV-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2[nH]nc4cc(Cl)ccc42)CC3)cn1 ZINC001237994701 1042448361 /nfs/dbraw/zinc/44/83/61/1042448361.db2.gz JTSSFRJCBVISBV-UHFFFAOYSA-N 2 2 398.942 3.580 20 0 GHADLP O=C1CCC2(CC[NH+](Cc3cccc4c[nH+]cn43)CC2)N1Cc1cccc(F)c1 ZINC001238102862 1042493107 /nfs/dbraw/zinc/49/31/07/1042493107.db2.gz DROSLYHIYNIINV-UHFFFAOYSA-N 2 2 392.478 3.631 20 0 GHADLP CC(C)(C)OC(=O)N1CCCCC[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001462646114 1070440317 /nfs/dbraw/zinc/44/03/17/1070440317.db2.gz NCBWGZSARPRVTF-LJQANCHMSA-N 2 2 388.556 3.820 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001462669964 1070458523 /nfs/dbraw/zinc/45/85/23/1070458523.db2.gz CCVZXHXISFGEPP-GOSISDBHSA-N 2 2 388.556 3.677 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH+]2CCC3(CC[C@@H](C(=O)NCC4CC4)C3)CC2)CC1 ZINC001256572878 1043547008 /nfs/dbraw/zinc/54/70/08/1043547008.db2.gz ZQACPBVPHAORFB-LJQANCHMSA-N 2 2 375.601 3.658 20 0 GHADLP C[N@H+](Cc1ccccc1F)C1CCN(C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC001256595829 1043562096 /nfs/dbraw/zinc/56/20/96/1043562096.db2.gz GBIYJGSHZDPPQC-UHFFFAOYSA-N 2 2 396.554 3.782 20 0 GHADLP C[N@@H+](Cc1ccccc1F)C1CCN(C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC001256595829 1043562108 /nfs/dbraw/zinc/56/21/08/1043562108.db2.gz GBIYJGSHZDPPQC-UHFFFAOYSA-N 2 2 396.554 3.782 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256610309 1043574057 /nfs/dbraw/zinc/57/40/57/1043574057.db2.gz BMHOESBILCHBLG-UHFFFAOYSA-N 2 2 399.579 3.984 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256610309 1043574064 /nfs/dbraw/zinc/57/40/64/1043574064.db2.gz BMHOESBILCHBLG-UHFFFAOYSA-N 2 2 399.579 3.984 20 0 GHADLP c1ccc([C@@H]2C[C@H]([NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)CCO2)cc1 ZINC001256807363 1043662959 /nfs/dbraw/zinc/66/29/59/1043662959.db2.gz AGYXIDACJKCKPM-QPXUXIHVSA-N 2 2 377.532 3.756 20 0 GHADLP c1ccc([C@@H]2C[C@H]([NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)CCO2)cc1 ZINC001256807363 1043662966 /nfs/dbraw/zinc/66/29/66/1043662966.db2.gz AGYXIDACJKCKPM-QPXUXIHVSA-N 2 2 377.532 3.756 20 0 GHADLP c1ccc([C@@H]2C[C@H]([N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)CCO2)cc1 ZINC001256807363 1043662974 /nfs/dbraw/zinc/66/29/74/1043662974.db2.gz AGYXIDACJKCKPM-QPXUXIHVSA-N 2 2 377.532 3.756 20 0 GHADLP c1ccc([C@@H]2C[C@H]([N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)CCO2)cc1 ZINC001256807363 1043662977 /nfs/dbraw/zinc/66/29/77/1043662977.db2.gz AGYXIDACJKCKPM-QPXUXIHVSA-N 2 2 377.532 3.756 20 0 GHADLP c1ccc([C@@H]2C[C@@H](N(c3cccc[nH+]3)[C@H]3COC4(C3)CC[NH2+]CC4)CCO2)cc1 ZINC001256813724 1043669834 /nfs/dbraw/zinc/66/98/34/1043669834.db2.gz LKEFGCJLOBOGEE-BDTNDASRSA-N 2 2 393.531 3.719 20 0 GHADLP C[NH+](C)C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001256856733 1043705038 /nfs/dbraw/zinc/70/50/38/1043705038.db2.gz QYOJBSXFMGUWFN-XLNBUVHKSA-N 3 2 382.596 3.787 20 0 GHADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001257188802 1043927412 /nfs/dbraw/zinc/92/74/12/1043927412.db2.gz QXMNUYHMNMJSED-UFYCRDLUSA-N 2 2 379.589 3.875 20 0 GHADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001257188802 1043927415 /nfs/dbraw/zinc/92/74/15/1043927415.db2.gz QXMNUYHMNMJSED-UFYCRDLUSA-N 2 2 379.589 3.875 20 0 GHADLP C[C@H]1CC([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257585760 1044069992 /nfs/dbraw/zinc/06/99/92/1044069992.db2.gz ALYASTWBQLRLIQ-IRXDYDNUSA-N 2 2 377.573 3.581 20 0 GHADLP C[C@H]1CC([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257585760 1044070008 /nfs/dbraw/zinc/07/00/08/1044070008.db2.gz ALYASTWBQLRLIQ-IRXDYDNUSA-N 2 2 377.573 3.581 20 0 GHADLP Cn1cc[nH+]c1CC[NH2+]C1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257769836 1044159739 /nfs/dbraw/zinc/15/97/39/1044159739.db2.gz KPJGUUVUPYBHBI-UHFFFAOYSA-N 2 2 376.545 3.512 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(Cl)c1 ZINC001258138321 1044424023 /nfs/dbraw/zinc/42/40/23/1044424023.db2.gz TXLKJENLPDHDFL-UHFFFAOYSA-N 2 2 386.923 3.923 20 0 GHADLP c1ccc(CC[NH+]2CCC([NH+]3CCC4(C[C@@H](OCC5CC5)CO4)CC3)CC2)cc1 ZINC001258142960 1044428927 /nfs/dbraw/zinc/42/89/27/1044428927.db2.gz INJLXIARQLTBKT-XMMPIXPASA-N 2 2 398.591 3.744 20 0 GHADLP c1cc2c(ccnc2N2CC[NH+](C3CC[NH+](CCc4ccccc4)CC3)CC2)o1 ZINC001258146200 1044435912 /nfs/dbraw/zinc/43/59/12/1044435912.db2.gz RZMYWGHULMBRQR-UHFFFAOYSA-N 2 2 390.531 3.657 20 0 GHADLP C[C@H]1CC([NH2+]C2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C[C@H](C)C1 ZINC001258156790 1044444878 /nfs/dbraw/zinc/44/48/78/1044444878.db2.gz RXRIMUDLRCUZAZ-HLIPFELVSA-N 2 2 379.589 3.875 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1CCN(c3ccccc3)CC1)[C@H]2C ZINC001258516013 1044591603 /nfs/dbraw/zinc/59/16/03/1044591603.db2.gz OIPLCAWHLSLYJF-IBGZPJMESA-N 2 2 381.568 3.769 20 0 GHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CCN(c3ccccc3)CC1)[C@H]2C ZINC001258516013 1044591619 /nfs/dbraw/zinc/59/16/19/1044591619.db2.gz OIPLCAWHLSLYJF-IBGZPJMESA-N 2 2 381.568 3.769 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1CCN(c3ccccc3)CC1)[C@H]2C ZINC001258516013 1044591651 /nfs/dbraw/zinc/59/16/51/1044591651.db2.gz OIPLCAWHLSLYJF-IBGZPJMESA-N 2 2 381.568 3.769 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001258774990 1044759503 /nfs/dbraw/zinc/75/95/03/1044759503.db2.gz WARXNUQTPFSYSD-QHCPKHFHSA-N 3 2 385.596 3.616 20 0 GHADLP CCC[NH+]1CCC([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001258774990 1044759506 /nfs/dbraw/zinc/75/95/06/1044759506.db2.gz WARXNUQTPFSYSD-QHCPKHFHSA-N 3 2 385.596 3.616 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001298378848 1045791021 /nfs/dbraw/zinc/79/10/21/1045791021.db2.gz RMWHZGTXKOZFSN-RBBKRZOGSA-N 2 2 382.552 3.636 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001298378848 1045791037 /nfs/dbraw/zinc/79/10/37/1045791037.db2.gz RMWHZGTXKOZFSN-RBBKRZOGSA-N 2 2 382.552 3.636 20 0 GHADLP CC(C)C[C@@H](C(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C)n1cc[nH+]c1 ZINC001298721353 1045929696 /nfs/dbraw/zinc/92/96/96/1045929696.db2.gz FZJUOMKEAKBOPZ-LEWJYISDSA-N 2 2 386.540 3.677 20 0 GHADLP CC(C)C[C@H](C(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C)n1cc[nH+]c1 ZINC001298721702 1045929760 /nfs/dbraw/zinc/92/97/60/1045929760.db2.gz FZJUOMKEAKBOPZ-NHCUHLMSSA-N 2 2 386.540 3.677 20 0 GHADLP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC001279142522 1047729334 /nfs/dbraw/zinc/72/93/34/1047729334.db2.gz FINSHSKXGGEZRW-UHFFFAOYSA-N 2 2 394.401 3.689 20 0 GHADLP Oc1ccc(C[NH+]2CCC3(C[NH+](CCCC(F)(F)F)C3)CC2)c(F)c1F ZINC001279330184 1047769478 /nfs/dbraw/zinc/76/94/78/1047769478.db2.gz HEAOGJOICFIPKE-UHFFFAOYSA-N 2 2 378.385 3.911 20 0 GHADLP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(F)ccc(Cl)c3F)(C1)CCC2 ZINC001279426153 1047802430 /nfs/dbraw/zinc/80/24/30/1047802430.db2.gz RHZJWTUQLRJMSO-MOPGFXCFSA-N 2 2 388.886 3.763 20 0 GHADLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1ccc(F)c(F)c1F)CC2 ZINC001279433999 1047804953 /nfs/dbraw/zinc/80/49/53/1047804953.db2.gz KTPLXHZSWVZTGH-UHFFFAOYSA-N 2 2 381.467 3.967 20 0 GHADLP Cc1ncsc1C[N@@H+]1CCC[C@]2(CCC[NH+](CC3(C)CCOCC3)C2)C1 ZINC001279474641 1047818870 /nfs/dbraw/zinc/81/88/70/1047818870.db2.gz QDISPQSCBVUTJV-NRFANRHFSA-N 2 2 377.598 3.946 20 0 GHADLP Cc1ncsc1C[N@H+]1CCC[C@]2(CCC[NH+](CC3(C)CCOCC3)C2)C1 ZINC001279474641 1047818880 /nfs/dbraw/zinc/81/88/80/1047818880.db2.gz QDISPQSCBVUTJV-NRFANRHFSA-N 2 2 377.598 3.946 20 0 GHADLP Cc1ncsc1C[NH+]1CCC[C@]2(CCC[N@H+](CC3(C)CCOCC3)C2)C1 ZINC001279474641 1047818893 /nfs/dbraw/zinc/81/88/93/1047818893.db2.gz QDISPQSCBVUTJV-NRFANRHFSA-N 2 2 377.598 3.946 20 0 GHADLP Cc1ncsc1C[NH+]1CCC[C@]2(CCC[N@@H+](CC3(C)CCOCC3)C2)C1 ZINC001279474641 1047818906 /nfs/dbraw/zinc/81/89/06/1047818906.db2.gz QDISPQSCBVUTJV-NRFANRHFSA-N 2 2 377.598 3.946 20 0 GHADLP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)c(F)c3F)CC2)C1 ZINC001279711899 1047930275 /nfs/dbraw/zinc/93/02/75/1047930275.db2.gz KFXGSLOGUNPTBW-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)c(F)c3F)CC2)C1 ZINC001279711899 1047930282 /nfs/dbraw/zinc/93/02/82/1047930282.db2.gz KFXGSLOGUNPTBW-UHFFFAOYSA-N 2 2 385.930 3.858 20 0 GHADLP COCC1(C)CC[NH+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001307622802 1049457481 /nfs/dbraw/zinc/45/74/81/1049457481.db2.gz RPUPDBWNGNBWGW-UHFFFAOYSA-N 2 2 379.976 3.601 20 0 GHADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC001307723688 1049537582 /nfs/dbraw/zinc/53/75/82/1049537582.db2.gz MMQOELATANKDHK-OAQYLSRUSA-N 2 2 381.520 3.983 20 0 GHADLP Cc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)c1 ZINC001290115528 1049736193 /nfs/dbraw/zinc/73/61/93/1049736193.db2.gz VOWNLUPRILSGFK-XMMPIXPASA-N 2 2 391.559 3.694 20 0 GHADLP Cc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)CC2)c1 ZINC001290115528 1049736202 /nfs/dbraw/zinc/73/62/02/1049736202.db2.gz VOWNLUPRILSGFK-XMMPIXPASA-N 2 2 391.559 3.694 20 0 GHADLP Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC001308185193 1049904203 /nfs/dbraw/zinc/90/42/03/1049904203.db2.gz YGFXHVCIRUPHFU-UHFFFAOYSA-N 2 2 398.551 3.651 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001308584558 1050020051 /nfs/dbraw/zinc/02/00/51/1050020051.db2.gz JOIWBCYPOBTKNO-MRXNPFEDSA-N 2 2 391.357 3.717 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001308584558 1050020058 /nfs/dbraw/zinc/02/00/58/1050020058.db2.gz JOIWBCYPOBTKNO-MRXNPFEDSA-N 2 2 391.357 3.717 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC001308584558 1050020064 /nfs/dbraw/zinc/02/00/64/1050020064.db2.gz JOIWBCYPOBTKNO-MRXNPFEDSA-N 2 2 391.357 3.717 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001308584558 1050020071 /nfs/dbraw/zinc/02/00/71/1050020071.db2.gz JOIWBCYPOBTKNO-MRXNPFEDSA-N 2 2 391.357 3.717 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CSc1nccc2ccccc21 ZINC001333419894 1051736476 /nfs/dbraw/zinc/73/64/76/1051736476.db2.gz CTKUURZKVGILFX-UHFFFAOYSA-N 2 2 375.457 3.855 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cnn(Cc3ccc(F)cc3)c2)[nH+]1 ZINC001343291421 1053681680 /nfs/dbraw/zinc/68/16/80/1053681680.db2.gz DELZHJMIXHBEKE-NRFANRHFSA-N 2 2 379.483 3.850 20 0 GHADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cnn(Cc3ccc(F)cc3)c2)[nH+]1 ZINC001343291421 1053681684 /nfs/dbraw/zinc/68/16/84/1053681684.db2.gz DELZHJMIXHBEKE-NRFANRHFSA-N 2 2 379.483 3.850 20 0 GHADLP C[C@@H](CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)N(C)C(=O)OC(C)(C)C ZINC001343634222 1053938480 /nfs/dbraw/zinc/93/84/80/1053938480.db2.gz HQZLOTHLCKGGOA-AWEZNQCLSA-N 2 2 381.483 3.638 20 0 GHADLP CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318418876 1054626318 /nfs/dbraw/zinc/62/63/18/1054626318.db2.gz YUGPCGBKCBQODZ-FQEVSTJZSA-N 2 2 383.540 3.752 20 0 GHADLP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318418876 1054626324 /nfs/dbraw/zinc/62/63/24/1054626324.db2.gz YUGPCGBKCBQODZ-FQEVSTJZSA-N 2 2 383.540 3.752 20 0 GHADLP CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318418876 1054626332 /nfs/dbraw/zinc/62/63/32/1054626332.db2.gz YUGPCGBKCBQODZ-FQEVSTJZSA-N 2 2 383.540 3.752 20 0 GHADLP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318418876 1054626337 /nfs/dbraw/zinc/62/63/37/1054626337.db2.gz YUGPCGBKCBQODZ-FQEVSTJZSA-N 2 2 383.540 3.752 20 0 GHADLP Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc(C)[nH+]1 ZINC001319822384 1055489617 /nfs/dbraw/zinc/48/96/17/1055489617.db2.gz PSCZADYADQMAQL-DNVCBOLYSA-N 2 2 390.890 3.727 20 0 GHADLP Cc1cc(NC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc(C)[nH+]1 ZINC001319822384 1055489629 /nfs/dbraw/zinc/48/96/29/1055489629.db2.gz PSCZADYADQMAQL-DNVCBOLYSA-N 2 2 390.890 3.727 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1c2ccccc2CC[C@@H]1C ZINC001319894821 1055526679 /nfs/dbraw/zinc/52/66/79/1055526679.db2.gz GQWGEXGGMSUGDR-QTEQDKRBSA-N 2 2 378.564 3.723 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1c2ccccc2CC[C@@H]1C ZINC001319894821 1055526690 /nfs/dbraw/zinc/52/66/90/1055526690.db2.gz GQWGEXGGMSUGDR-QTEQDKRBSA-N 2 2 378.564 3.723 20 0 GHADLP CC(C)C[C@H](C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)NC(=O)OC(C)(C)C ZINC001323251483 1056944298 /nfs/dbraw/zinc/94/42/98/1056944298.db2.gz GDMZGJQGGCNSMA-QZTJIDSGSA-N 2 2 378.561 3.614 20 0 GHADLP CC(C)C[C@H](C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)NC(=O)OC(C)(C)C ZINC001323251483 1056944301 /nfs/dbraw/zinc/94/43/01/1056944301.db2.gz GDMZGJQGGCNSMA-QZTJIDSGSA-N 2 2 378.561 3.614 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000848519143 1057145490 /nfs/dbraw/zinc/14/54/90/1057145490.db2.gz PUBMUTUVAPTHAW-VQTJNVASSA-N 2 2 384.524 3.857 20 0 GHADLP Cc1cc([C@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c(C)o1 ZINC001324811596 1057231395 /nfs/dbraw/zinc/23/13/95/1057231395.db2.gz ZYWBUJIQKMGQRE-HNNXBMFYSA-N 2 2 390.553 3.874 20 0 GHADLP Cc1c(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)ccc2c[nH+]cn21 ZINC001326369072 1057468998 /nfs/dbraw/zinc/46/89/98/1057468998.db2.gz DAFZXIGOOMDKQB-UHFFFAOYSA-N 2 2 376.504 3.724 20 0 GHADLP Cc1ccc(Br)cc1NC(=O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001338273243 1058488527 /nfs/dbraw/zinc/48/85/27/1058488527.db2.gz FWOHBFVZXZYAIW-UHFFFAOYSA-N 2 2 382.346 3.549 20 0 GHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001441450912 1058785359 /nfs/dbraw/zinc/78/53/59/1058785359.db2.gz SOKQNNULXJBVSW-ROUUACIJSA-N 2 2 376.504 3.742 20 0 GHADLP CC(C)(C[NH3+])CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001340839835 1060181414 /nfs/dbraw/zinc/18/14/14/1060181414.db2.gz SOUYNPAMFLJGSC-UHFFFAOYSA-N 2 2 376.504 3.590 20 0 GHADLP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001455440107 1062145726 /nfs/dbraw/zinc/14/57/26/1062145726.db2.gz CMNHSNZLNNXJLF-JOCHJYFZSA-N 2 2 381.495 3.598 20 0 GHADLP CCc1ccc(F)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001435866816 1062970261 /nfs/dbraw/zinc/97/02/61/1062970261.db2.gz XYTRTJNVFAYSAQ-FCHUYYIVSA-N 2 2 389.559 3.797 20 0 GHADLP CCc1ccc(F)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001435866816 1062970265 /nfs/dbraw/zinc/97/02/65/1062970265.db2.gz XYTRTJNVFAYSAQ-FCHUYYIVSA-N 2 2 389.559 3.797 20 0 GHADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)cc1 ZINC001457619918 1063281978 /nfs/dbraw/zinc/28/19/78/1063281978.db2.gz RSXNQPAIDYNXEV-NRFANRHFSA-N 2 2 378.476 3.867 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@H]1CCC[NH2+]C1 ZINC001349488032 1063749843 /nfs/dbraw/zinc/74/98/43/1063749843.db2.gz ZLIYQVJSQDRDFV-IRXDYDNUSA-N 2 2 383.540 3.513 20 0 GHADLP COC(=O)[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC001459762209 1064205268 /nfs/dbraw/zinc/20/52/68/1064205268.db2.gz HDGHRGMXHGKQIF-SFHVURJKSA-N 2 2 386.458 3.973 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(=O)N1CCCc2ccccc21 ZINC001459772467 1064209377 /nfs/dbraw/zinc/20/93/77/1064209377.db2.gz WQFKCUSWKRJICQ-UHFFFAOYSA-N 2 2 379.548 3.856 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(=O)N1CCCc2ccccc21 ZINC001459772467 1064209389 /nfs/dbraw/zinc/20/93/89/1064209389.db2.gz WQFKCUSWKRJICQ-UHFFFAOYSA-N 2 2 379.548 3.856 20 0 GHADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001460046140 1064371812 /nfs/dbraw/zinc/37/18/12/1064371812.db2.gz KPHWTSVJUQSKBQ-FUPPJEDESA-N 2 2 377.532 3.776 20 0 GHADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001460046140 1064371826 /nfs/dbraw/zinc/37/18/26/1064371826.db2.gz KPHWTSVJUQSKBQ-FUPPJEDESA-N 2 2 377.532 3.776 20 0 GHADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001460046140 1064371839 /nfs/dbraw/zinc/37/18/39/1064371839.db2.gz KPHWTSVJUQSKBQ-FUPPJEDESA-N 2 2 377.532 3.776 20 0 GHADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001460046140 1064371850 /nfs/dbraw/zinc/37/18/50/1064371850.db2.gz KPHWTSVJUQSKBQ-FUPPJEDESA-N 2 2 377.532 3.776 20 0 GHADLP CC(C)C[C@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)n1cc[nH+]c1 ZINC001466621888 1066217186 /nfs/dbraw/zinc/21/71/86/1066217186.db2.gz COFWILITNYGQQM-JOCHJYFZSA-N 2 2 394.563 3.985 20 0 GHADLP CC(C)C[C@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)n1cc[nH+]c1 ZINC001466621888 1066217200 /nfs/dbraw/zinc/21/72/00/1066217200.db2.gz COFWILITNYGQQM-JOCHJYFZSA-N 2 2 394.563 3.985 20 0 GHADLP CC(C)Cc1ccc([C@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)[NH+](C)C)cc1 ZINC001467069801 1067047490 /nfs/dbraw/zinc/04/74/90/1067047490.db2.gz YDDXADVVMRDZTH-FQEVSTJZSA-N 2 2 379.508 3.957 20 0 GHADLP C[C@@H]1CCC[C@](CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)([NH+](C)C)C1 ZINC001468178479 1067622459 /nfs/dbraw/zinc/62/24/59/1067622459.db2.gz YFCSPNQNZQPYQQ-OQCPIYLQSA-N 2 2 398.595 3.538 20 0 GHADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001468360072 1067702850 /nfs/dbraw/zinc/70/28/50/1067702850.db2.gz QXWUSNQPWKJBLT-PKTZIBPZSA-N 2 2 397.538 3.580 20 0 GHADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001468360072 1067702858 /nfs/dbraw/zinc/70/28/58/1067702858.db2.gz QXWUSNQPWKJBLT-PKTZIBPZSA-N 2 2 397.538 3.580 20 0 GHADLP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001470176677 1068611522 /nfs/dbraw/zinc/61/15/22/1068611522.db2.gz GYDRUXUAOFGFQN-SFTDATJTSA-N 2 2 389.971 3.828 20 0 GHADLP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001470176677 1068611527 /nfs/dbraw/zinc/61/15/27/1068611527.db2.gz GYDRUXUAOFGFQN-SFTDATJTSA-N 2 2 389.971 3.828 20 0 GHADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001470176677 1068611532 /nfs/dbraw/zinc/61/15/32/1068611532.db2.gz GYDRUXUAOFGFQN-SFTDATJTSA-N 2 2 389.971 3.828 20 0 GHADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001470176677 1068611539 /nfs/dbraw/zinc/61/15/39/1068611539.db2.gz GYDRUXUAOFGFQN-SFTDATJTSA-N 2 2 389.971 3.828 20 0 GHADLP Cc1ccc([C@H](NC(=O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C2CC2)cc1 ZINC001460696147 1069093419 /nfs/dbraw/zinc/09/34/19/1069093419.db2.gz RKRULWVGAPCLEF-VWNXMTODSA-N 2 2 388.515 3.790 20 0 GHADLP C[N@H+](CCC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1)C1CCCCC1 ZINC001471737009 1073202468 /nfs/dbraw/zinc/20/24/68/1073202468.db2.gz UNVRMHHBAGFRFE-UHFFFAOYSA-N 2 2 394.563 3.859 20 0 GHADLP C[N@@H+](CCC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1)C1CCCCC1 ZINC001471737009 1073202473 /nfs/dbraw/zinc/20/24/73/1073202473.db2.gz UNVRMHHBAGFRFE-UHFFFAOYSA-N 2 2 394.563 3.859 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1 ZINC001473550981 1074012554 /nfs/dbraw/zinc/01/25/54/1074012554.db2.gz ATJBGKABSQPRFV-BJKOFHAPSA-N 2 2 396.575 3.753 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1 ZINC001473550981 1074012563 /nfs/dbraw/zinc/01/25/63/1074012563.db2.gz ATJBGKABSQPRFV-BJKOFHAPSA-N 2 2 396.575 3.753 20 0 GHADLP CC[NH+](CC)CCC[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCC2(COC2)O1 ZINC001473620413 1074052212 /nfs/dbraw/zinc/05/22/12/1074052212.db2.gz HYINYYUADHXIAL-FQEVSTJZSA-N 2 2 380.960 3.822 20 0 GHADLP CC[NH+](CC)CCC[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCC2(COC2)O1 ZINC001473620413 1074052218 /nfs/dbraw/zinc/05/22/18/1074052218.db2.gz HYINYYUADHXIAL-FQEVSTJZSA-N 2 2 380.960 3.822 20 0 GHADLP CC[NH+](CC)CCC[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1CCC2(COC2)O1 ZINC001473620414 1074052261 /nfs/dbraw/zinc/05/22/61/1074052261.db2.gz HYINYYUADHXIAL-HXUWFJFHSA-N 2 2 380.960 3.822 20 0 GHADLP CC[NH+](CC)CCC[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CCC2(COC2)O1 ZINC001473620414 1074052265 /nfs/dbraw/zinc/05/22/65/1074052265.db2.gz HYINYYUADHXIAL-HXUWFJFHSA-N 2 2 380.960 3.822 20 0 GHADLP C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001473834393 1074165375 /nfs/dbraw/zinc/16/53/75/1074165375.db2.gz QIPKLCSXRJRLSB-JXALWOEJSA-N 2 2 380.532 3.869 20 0 GHADLP C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001473834393 1074165378 /nfs/dbraw/zinc/16/53/78/1074165378.db2.gz QIPKLCSXRJRLSB-JXALWOEJSA-N 2 2 380.532 3.869 20 0 GHADLP c1ccc([C@@H]2CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CCO2)cc1 ZINC001473887497 1074192167 /nfs/dbraw/zinc/19/21/67/1074192167.db2.gz OYGZUODIICUOLC-DEOSSOPVSA-N 2 2 379.548 3.662 20 0 GHADLP c1ccc([C@@H]2CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CCO2)cc1 ZINC001473887497 1074192171 /nfs/dbraw/zinc/19/21/71/1074192171.db2.gz OYGZUODIICUOLC-DEOSSOPVSA-N 2 2 379.548 3.662 20 0 GHADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC001473913706 1074201426 /nfs/dbraw/zinc/20/14/26/1074201426.db2.gz YAUXGQDQBPXUFR-UHFFFAOYSA-N 2 2 383.927 3.684 20 0 GHADLP COc1ccc(Br)c(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC001473929388 1074207856 /nfs/dbraw/zinc/20/78/56/1074207856.db2.gz GABRKZXDYQHEJV-UHFFFAOYSA-N 2 2 389.337 3.996 20 0 GHADLP COc1ccc(Br)c(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC001473929388 1074207863 /nfs/dbraw/zinc/20/78/63/1074207863.db2.gz GABRKZXDYQHEJV-UHFFFAOYSA-N 2 2 389.337 3.996 20 0 GHADLP Fc1ccc2oc(C[NH2+]CCCCN3CC[NH+](Cc4ccccc4)CC3)nc2c1 ZINC001473938757 1074211560 /nfs/dbraw/zinc/21/15/60/1074211560.db2.gz FKAMBLQIJYKXQY-UHFFFAOYSA-N 2 2 396.510 3.655 20 0 GHADLP COc1cc(C)ccc1Oc1ccccc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC001473958158 1074218738 /nfs/dbraw/zinc/21/87/38/1074218738.db2.gz RXMXDJWIVZSTFI-UHFFFAOYSA-N 2 2 384.520 3.732 20 0 GHADLP Cc1ccc(CCC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)c(C)c1 ZINC001474235544 1074303712 /nfs/dbraw/zinc/30/37/12/1074303712.db2.gz REFYTUGSKSYYFC-UHFFFAOYSA-N 2 2 382.548 3.737 20 0 GHADLP Cc1ccccc1C(=O)N1CCC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC001474246754 1074308478 /nfs/dbraw/zinc/30/84/78/1074308478.db2.gz FMHIAZURCFUBPX-QHCPKHFHSA-N 2 2 388.515 3.827 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@]3(C)OCCc4ccccc43)CC2)cc1 ZINC001474247439 1074309437 /nfs/dbraw/zinc/30/94/37/1074309437.db2.gz CVQXCBRRZMSJAA-XMMPIXPASA-N 2 2 379.548 3.799 20 0 GHADLP C[C@@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000820727247 599109644 /nfs/dbraw/zinc/10/96/44/599109644.db2.gz JMKCEYDKASKWCJ-QGZVFWFLSA-N 2 2 399.502 3.516 20 0 GHADLP C[C@@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000820727247 599109646 /nfs/dbraw/zinc/10/96/46/599109646.db2.gz JMKCEYDKASKWCJ-QGZVFWFLSA-N 2 2 399.502 3.516 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000824532474 609147467 /nfs/dbraw/zinc/14/74/67/609147467.db2.gz UTBQBBHXGOKDDL-KGLIPLIRSA-N 2 2 377.427 3.603 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]ccc4ccc(C)cc43)CC2)CC1 ZINC001164617965 719025723 /nfs/dbraw/zinc/02/57/23/719025723.db2.gz SOCJXUMMPQWKBX-UHFFFAOYSA-N 2 2 381.520 3.787 20 0 GHADLP CC(C)Oc1cc[nH+]c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164673353 719512166 /nfs/dbraw/zinc/51/21/66/719512166.db2.gz PQPBAJFHJPNLGB-UHFFFAOYSA-N 2 2 399.510 3.879 20 0 GHADLP CC(C)Oc1cc[nH+]c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164673353 719512174 /nfs/dbraw/zinc/51/21/74/719512174.db2.gz PQPBAJFHJPNLGB-UHFFFAOYSA-N 2 2 399.510 3.879 20 0 GHADLP CCCc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(C)[nH+]1 ZINC001164698975 719895461 /nfs/dbraw/zinc/89/54/61/719895461.db2.gz UZWCCLABSQIIFR-UHFFFAOYSA-N 2 2 386.565 3.670 20 0 GHADLP CCCc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc(C)[nH+]1 ZINC001164698975 719895465 /nfs/dbraw/zinc/89/54/65/719895465.db2.gz UZWCCLABSQIIFR-UHFFFAOYSA-N 2 2 386.565 3.670 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3cc(OC)ccc3[nH+]1)C2 ZINC001164807971 720116784 /nfs/dbraw/zinc/11/67/84/720116784.db2.gz DCNAIJQBKALNEU-DVECYGJZSA-N 2 2 395.547 3.737 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3cc(OC)ccc3[nH+]1)C2 ZINC001164807971 720116790 /nfs/dbraw/zinc/11/67/90/720116790.db2.gz DCNAIJQBKALNEU-DVECYGJZSA-N 2 2 395.547 3.737 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3cc(OC)c(F)cc31)C2 ZINC001164811976 720196587 /nfs/dbraw/zinc/19/65/87/720196587.db2.gz KOZPGKBSRLXEHM-JPYJTQIMSA-N 2 2 399.510 3.567 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3cc(OC)c(F)cc31)C2 ZINC001164811976 720196597 /nfs/dbraw/zinc/19/65/97/720196597.db2.gz KOZPGKBSRLXEHM-JPYJTQIMSA-N 2 2 399.510 3.567 20 0 GHADLP COc1ccc2c(cc[nH+]c2N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164901419 721522149 /nfs/dbraw/zinc/52/21/49/721522149.db2.gz XEFRHZDZBBMROR-RXVVDRJESA-N 2 2 393.462 3.724 20 0 GHADLP COc1ccc2c(cc[nH+]c2N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164901419 721522153 /nfs/dbraw/zinc/52/21/53/721522153.db2.gz XEFRHZDZBBMROR-RXVVDRJESA-N 2 2 393.462 3.724 20 0 GHADLP Cc1cc2ccccc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)[nH+]1 ZINC001164808245 721567688 /nfs/dbraw/zinc/56/76/88/721567688.db2.gz UWPLGHMPQCIMPL-RJGXRXQPSA-N 2 2 388.515 3.806 20 0 GHADLP Cc1cc2ccccc2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)[nH+]1 ZINC001164808245 721567690 /nfs/dbraw/zinc/56/76/90/721567690.db2.gz UWPLGHMPQCIMPL-RJGXRXQPSA-N 2 2 388.515 3.806 20 0 GHADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1NC(C)C ZINC001165028136 721797897 /nfs/dbraw/zinc/79/78/97/721797897.db2.gz YPXICUYVPDNBDP-JBACZVJFSA-N 2 2 394.567 3.737 20 0 GHADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1NC(C)C ZINC001165028136 721797901 /nfs/dbraw/zinc/79/79/01/721797901.db2.gz YPXICUYVPDNBDP-JBACZVJFSA-N 2 2 394.567 3.737 20 0 GHADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000431775812 837448565 /nfs/dbraw/zinc/44/85/65/837448565.db2.gz ZFWRXICQEBAQLU-VXKWHMMOSA-N 2 2 397.567 3.631 20 0 GHADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000431775811 837448712 /nfs/dbraw/zinc/44/87/12/837448712.db2.gz ZFWRXICQEBAQLU-FGZHOGPDSA-N 2 2 397.567 3.631 20 0 GHADLP Clc1ccccc1[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)[NH+]1CCCC1 ZINC000655692334 837673199 /nfs/dbraw/zinc/67/31/99/837673199.db2.gz UNSPKGUCDZACHZ-KNQAVFIVSA-N 2 2 391.987 3.710 20 0 GHADLP Clc1ccccc1[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)N1CCCC1 ZINC000655692334 837673202 /nfs/dbraw/zinc/67/32/02/837673202.db2.gz UNSPKGUCDZACHZ-KNQAVFIVSA-N 2 2 391.987 3.710 20 0 GHADLP Cc1ccc(C(=O)Nc2cccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c2)cc1 ZINC000655698052 837689461 /nfs/dbraw/zinc/68/94/61/837689461.db2.gz VGNVUJRCFYFSNI-QHCPKHFHSA-N 2 2 393.531 3.590 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000655717890 837730186 /nfs/dbraw/zinc/73/01/86/837730186.db2.gz FQOQOBQRLOOJNT-CQSZACIVSA-N 2 2 388.313 3.566 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)OC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000780378218 834503938 /nfs/dbraw/zinc/50/39/38/834503938.db2.gz LTIIFORQBXNLGH-WWNPGLIZSA-N 2 2 396.531 3.924 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)OC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000780378218 834503946 /nfs/dbraw/zinc/50/39/46/834503946.db2.gz LTIIFORQBXNLGH-WWNPGLIZSA-N 2 2 396.531 3.924 20 0 GHADLP CC[NH+](C)[C@H](C(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000780378218 834503953 /nfs/dbraw/zinc/50/39/53/834503953.db2.gz LTIIFORQBXNLGH-WWNPGLIZSA-N 2 2 396.531 3.924 20 0 GHADLP CC[NH+](C)[C@H](C(=O)OC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000780378218 834503957 /nfs/dbraw/zinc/50/39/57/834503957.db2.gz LTIIFORQBXNLGH-WWNPGLIZSA-N 2 2 396.531 3.924 20 0 GHADLP [NH3+][C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1c(F)cccc1F ZINC000583562442 834651744 /nfs/dbraw/zinc/65/17/44/834651744.db2.gz UBYLQANALFOIEI-OAQYLSRUSA-N 2 2 387.474 3.657 20 0 GHADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000536082614 834728713 /nfs/dbraw/zinc/72/87/13/834728713.db2.gz SCOZLDDNTWIRRW-IBGZPJMESA-N 2 2 393.535 3.988 20 0 GHADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000536082614 834728718 /nfs/dbraw/zinc/72/87/18/834728718.db2.gz SCOZLDDNTWIRRW-IBGZPJMESA-N 2 2 393.535 3.988 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)OC)cc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000135646141 834898535 /nfs/dbraw/zinc/89/85/35/834898535.db2.gz WYDUFISOWHIMLD-UHFFFAOYSA-N 2 2 385.483 3.746 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)OC)cc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000135646141 834898549 /nfs/dbraw/zinc/89/85/49/834898549.db2.gz WYDUFISOWHIMLD-UHFFFAOYSA-N 2 2 385.483 3.746 20 0 GHADLP Clc1ccc(N2CCC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)c(Cl)c1 ZINC000655760448 837825548 /nfs/dbraw/zinc/82/55/48/837825548.db2.gz QGEMDVCNMKVSQW-ZWKOTPCHSA-N 2 2 398.378 3.805 20 0 GHADLP C[C@@H](C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000511298249 835086913 /nfs/dbraw/zinc/08/69/13/835086913.db2.gz SIYXKCVASUYDAN-CYJAXWMASA-N 2 2 395.950 3.994 20 0 GHADLP C[C@@H](C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000511298249 835086925 /nfs/dbraw/zinc/08/69/25/835086925.db2.gz SIYXKCVASUYDAN-CYJAXWMASA-N 2 2 395.950 3.994 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)Nc1ccc2[nH+]ccn2c1 ZINC000685636587 835242740 /nfs/dbraw/zinc/24/27/40/835242740.db2.gz VWANBIUFVKCTNC-IBGZPJMESA-N 2 2 377.492 3.758 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1ccc2[nH+]ccn2c1 ZINC000685636587 835242745 /nfs/dbraw/zinc/24/27/45/835242745.db2.gz VWANBIUFVKCTNC-IBGZPJMESA-N 2 2 377.492 3.758 20 0 GHADLP COC(=O)c1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1C ZINC000894141508 844036770 /nfs/dbraw/zinc/03/67/70/844036770.db2.gz LBGDCRAJORPYNH-UHFFFAOYSA-N 2 2 384.442 3.677 20 0 GHADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000106388293 835414129 /nfs/dbraw/zinc/41/41/29/835414129.db2.gz SYXDONZULXLPFH-UHFFFAOYSA-N 2 2 393.325 3.598 20 0 GHADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000106388293 835414133 /nfs/dbraw/zinc/41/41/33/835414133.db2.gz SYXDONZULXLPFH-UHFFFAOYSA-N 2 2 393.325 3.598 20 0 GHADLP CCOc1ccc([C@H](CC)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1OCC ZINC000658293084 835558225 /nfs/dbraw/zinc/55/82/25/835558225.db2.gz CVYILJPZFWEDTR-PMACEKPBSA-N 2 2 376.541 3.778 20 0 GHADLP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCC2 ZINC000658296017 835560221 /nfs/dbraw/zinc/56/02/21/835560221.db2.gz XIHHHTGLJHNYQJ-PKOBYXMFSA-N 2 2 379.342 3.669 20 0 GHADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295646 835561039 /nfs/dbraw/zinc/56/10/39/835561039.db2.gz UBBRNZMTHVKHAQ-OXQOHEQNSA-N 2 2 385.577 3.946 20 0 GHADLP CCOc1ccccc1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274811485 835584993 /nfs/dbraw/zinc/58/49/93/835584993.db2.gz HXLBEQNCGDIYGH-ICSRJNTNSA-N 2 2 381.520 3.524 20 0 GHADLP CCOc1ccccc1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274811485 835585002 /nfs/dbraw/zinc/58/50/02/835585002.db2.gz HXLBEQNCGDIYGH-ICSRJNTNSA-N 2 2 381.520 3.524 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000151706567 835741972 /nfs/dbraw/zinc/74/19/72/835741972.db2.gz ZTNRNNRBSUFLRT-CEWLAPEOSA-N 2 2 383.540 3.559 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000600967847 835780045 /nfs/dbraw/zinc/78/00/45/835780045.db2.gz ZSWQGZNKHHMOAE-TYCQWZJGSA-N 2 2 385.939 3.894 20 0 GHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000600967847 835780054 /nfs/dbraw/zinc/78/00/54/835780054.db2.gz ZSWQGZNKHHMOAE-TYCQWZJGSA-N 2 2 385.939 3.894 20 0 GHADLP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Br)cc1F ZINC000584282144 835837796 /nfs/dbraw/zinc/83/77/96/835837796.db2.gz LOFNEHDUTXWZOD-SJORKVTESA-N 2 2 398.320 3.523 20 0 GHADLP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Br)cc1F ZINC000584282144 835837799 /nfs/dbraw/zinc/83/77/99/835837799.db2.gz LOFNEHDUTXWZOD-SJORKVTESA-N 2 2 398.320 3.523 20 0 GHADLP COc1c(F)cccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001143532795 844116036 /nfs/dbraw/zinc/11/60/36/844116036.db2.gz LPURBIKEBSFSCV-WEYGHZABSA-N 2 2 383.511 3.962 20 0 GHADLP COc1c(F)cccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001143532795 844116043 /nfs/dbraw/zinc/11/60/43/844116043.db2.gz LPURBIKEBSFSCV-WEYGHZABSA-N 2 2 383.511 3.962 20 0 GHADLP COc1c(F)cccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001143532795 844116044 /nfs/dbraw/zinc/11/60/44/844116044.db2.gz LPURBIKEBSFSCV-WEYGHZABSA-N 2 2 383.511 3.962 20 0 GHADLP COc1c(F)cccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001143532795 844116053 /nfs/dbraw/zinc/11/60/53/844116053.db2.gz LPURBIKEBSFSCV-WEYGHZABSA-N 2 2 383.511 3.962 20 0 GHADLP CC(=O)OC(C)(C)CCC[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001209154923 836065256 /nfs/dbraw/zinc/06/52/56/836065256.db2.gz AHWXUQPJOJWIPK-UHFFFAOYSA-N 2 2 394.313 3.618 20 0 GHADLP CCCN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000547758070 836097914 /nfs/dbraw/zinc/09/79/14/836097914.db2.gz CGEPOPFDPRISLV-PMACEKPBSA-N 2 2 380.536 3.733 20 0 GHADLP CCCN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000547758070 836097923 /nfs/dbraw/zinc/09/79/23/836097923.db2.gz CGEPOPFDPRISLV-PMACEKPBSA-N 2 2 380.536 3.733 20 0 GHADLP CCOc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1OC ZINC000092645366 844144662 /nfs/dbraw/zinc/14/46/62/844144662.db2.gz KGFLUPRWRGVEHI-UHFFFAOYSA-N 2 2 383.536 3.628 20 0 GHADLP CCOc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1OC ZINC000092645366 844144673 /nfs/dbraw/zinc/14/46/73/844144673.db2.gz KGFLUPRWRGVEHI-UHFFFAOYSA-N 2 2 383.536 3.628 20 0 GHADLP O=C(C[N@@H+]1CCC[C@@H]1C1CCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000613480999 836496232 /nfs/dbraw/zinc/49/62/32/836496232.db2.gz PVHFJVIVKPDWFK-JOCHJYFZSA-N 2 2 385.552 3.502 20 0 GHADLP O=C(C[N@H+]1CCC[C@@H]1C1CCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000613480999 836496236 /nfs/dbraw/zinc/49/62/36/836496236.db2.gz PVHFJVIVKPDWFK-JOCHJYFZSA-N 2 2 385.552 3.502 20 0 GHADLP CN(CCC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)c1cc[nH+]cc1 ZINC000614353233 844210840 /nfs/dbraw/zinc/21/08/40/844210840.db2.gz KCHFVKJGOSCCTH-UHFFFAOYSA-N 2 2 375.476 3.746 20 0 GHADLP Cc1cc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)cc(OC(F)(F)F)c1 ZINC001143469641 836974110 /nfs/dbraw/zinc/97/41/10/836974110.db2.gz YFRDULLWQRFYFN-UHFFFAOYSA-N 2 2 386.458 3.969 20 0 GHADLP Cc1cc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)cc(OC(F)(F)F)c1 ZINC001143469641 836974122 /nfs/dbraw/zinc/97/41/22/836974122.db2.gz YFRDULLWQRFYFN-UHFFFAOYSA-N 2 2 386.458 3.969 20 0 GHADLP CN(C(=O)[C@@H]1CCCC2(CC2)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612958550 837017097 /nfs/dbraw/zinc/01/70/97/837017097.db2.gz CLGFJGGESWIJGD-NRSPTQNISA-N 2 2 375.601 3.752 20 0 GHADLP CN(C(=O)[C@@H]1CCCC2(CC2)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612958550 837017106 /nfs/dbraw/zinc/01/71/06/837017106.db2.gz CLGFJGGESWIJGD-NRSPTQNISA-N 2 2 375.601 3.752 20 0 GHADLP Fc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1Br ZINC000655763857 837840123 /nfs/dbraw/zinc/84/01/23/837840123.db2.gz CMYAAAUKLZCTDA-XIRDDKMYSA-N 2 2 397.332 3.677 20 0 GHADLP CN(C(=O)C1=C(c2ccccc2)CCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648310827 838262401 /nfs/dbraw/zinc/26/24/01/838262401.db2.gz OZRQGHCCWKKKQC-OAQYLSRUSA-N 2 2 381.564 3.641 20 0 GHADLP CN(C(=O)C1=C(c2ccccc2)CCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648310827 838262410 /nfs/dbraw/zinc/26/24/10/838262410.db2.gz OZRQGHCCWKKKQC-OAQYLSRUSA-N 2 2 381.564 3.641 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000415951966 838308578 /nfs/dbraw/zinc/30/85/78/838308578.db2.gz FVDZXEBJZIOFJX-MSOLQXFVSA-N 2 2 376.863 3.505 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000415951966 838308587 /nfs/dbraw/zinc/30/85/87/838308587.db2.gz FVDZXEBJZIOFJX-MSOLQXFVSA-N 2 2 376.863 3.505 20 0 GHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccc(C[NH2+]C)cc2)[C@H](C)C1 ZINC000415987782 838356150 /nfs/dbraw/zinc/35/61/50/838356150.db2.gz YNHGNVAZOMQNKI-GOSISDBHSA-N 2 2 396.535 3.543 20 0 GHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccc(C[NH2+]C)cc2)[C@H](C)C1 ZINC000415987782 838356157 /nfs/dbraw/zinc/35/61/57/838356157.db2.gz YNHGNVAZOMQNKI-GOSISDBHSA-N 2 2 396.535 3.543 20 0 GHADLP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000549192521 839234016 /nfs/dbraw/zinc/23/40/16/839234016.db2.gz VSFJNRLOGHEPDX-OAQYLSRUSA-N 2 2 397.563 3.686 20 0 GHADLP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1O ZINC000580488624 839663885 /nfs/dbraw/zinc/66/38/85/839663885.db2.gz YSDYDTQOHAXNJI-IBGZPJMESA-N 2 2 383.536 3.572 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(C)s1 ZINC000580640913 839946779 /nfs/dbraw/zinc/94/67/79/839946779.db2.gz GWWZGKBPKCHEFG-AZUAARDMSA-N 2 2 384.545 3.797 20 0 GHADLP COC(=O)c1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(C)s1 ZINC000580640913 839946791 /nfs/dbraw/zinc/94/67/91/839946791.db2.gz GWWZGKBPKCHEFG-AZUAARDMSA-N 2 2 384.545 3.797 20 0 GHADLP COC(=O)c1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)s1 ZINC000580640913 839946801 /nfs/dbraw/zinc/94/68/01/839946801.db2.gz GWWZGKBPKCHEFG-AZUAARDMSA-N 2 2 384.545 3.797 20 0 GHADLP COC(=O)c1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C)s1 ZINC000580640913 839946810 /nfs/dbraw/zinc/94/68/10/839946810.db2.gz GWWZGKBPKCHEFG-AZUAARDMSA-N 2 2 384.545 3.797 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc2c(c1)CCCC2 ZINC001167429864 839996057 /nfs/dbraw/zinc/99/60/57/839996057.db2.gz NOJLVPPJLBYCLG-PCCBWWKXSA-N 2 2 397.607 3.939 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc2c(c1)CCCC2 ZINC001167429864 839996072 /nfs/dbraw/zinc/99/60/72/839996072.db2.gz NOJLVPPJLBYCLG-PCCBWWKXSA-N 2 2 397.607 3.939 20 0 GHADLP C[C@H](CC[NH2+][C@@H](CO)c1ccc(Cl)cc1)[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000580920332 840426676 /nfs/dbraw/zinc/42/66/76/840426676.db2.gz GFNQYZAZONRIGR-UAOJZALGSA-N 2 2 397.346 3.718 20 0 GHADLP Cn1nccc1-c1ccccc1C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000510986921 844559045 /nfs/dbraw/zinc/55/90/45/844559045.db2.gz YGOXWQZLLJLASA-UHFFFAOYSA-N 2 2 384.593 3.928 20 0 GHADLP Cc1nn(C)c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1Br ZINC000684142502 840684998 /nfs/dbraw/zinc/68/49/98/840684998.db2.gz QBMFOSGQXNFKGK-UHFFFAOYSA-N 2 2 383.378 3.579 20 0 GHADLP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000043523389 840831423 /nfs/dbraw/zinc/83/14/23/840831423.db2.gz TZJUZIJIPGLVDB-UHFFFAOYSA-N 2 2 394.906 3.920 20 0 GHADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(Br)cn3)CC2)C[C@H](C)O1 ZINC000177490491 861193408 /nfs/dbraw/zinc/19/34/08/861193408.db2.gz NVKXGMOFLYEHBT-IYBDPMFKSA-N 2 2 396.373 3.555 20 0 GHADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(Br)cn3)CC2)C[C@H](C)O1 ZINC000177490491 861193409 /nfs/dbraw/zinc/19/34/09/861193409.db2.gz NVKXGMOFLYEHBT-IYBDPMFKSA-N 2 2 396.373 3.555 20 0 GHADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cncc(Br)c3)CC2)C[C@@H](C)O1 ZINC000177496892 861193757 /nfs/dbraw/zinc/19/37/57/861193757.db2.gz GDQZGXHHWOZCLF-HZPDHXFCSA-N 2 2 396.373 3.555 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(O)ccc1Cl ZINC000625225254 861216717 /nfs/dbraw/zinc/21/67/17/861216717.db2.gz UZZVYEUNOMPPTB-UHFFFAOYSA-N 3 2 379.976 3.674 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(O)ccc1Cl ZINC000625225254 861216726 /nfs/dbraw/zinc/21/67/26/861216726.db2.gz UZZVYEUNOMPPTB-UHFFFAOYSA-N 3 2 379.976 3.674 20 0 GHADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662791986 841633929 /nfs/dbraw/zinc/63/39/29/841633929.db2.gz UIRZMNQDWDZENU-UWJYYQICSA-N 2 2 395.522 3.723 20 0 GHADLP CC1(C)C[C@H](NC2CC[NH+](Cc3ccccn3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000090169643 841697934 /nfs/dbraw/zinc/69/79/34/841697934.db2.gz LFWSNUZKEYRHTE-QHCPKHFHSA-N 2 2 378.564 3.689 20 0 GHADLP CC1(C)C[C@H](NC2CC[NH+](Cc3ccccn3)CC2)C[N@H+]1Cc1ccccc1 ZINC000090169643 841697936 /nfs/dbraw/zinc/69/79/36/841697936.db2.gz LFWSNUZKEYRHTE-QHCPKHFHSA-N 2 2 378.564 3.689 20 0 GHADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000656790145 841924504 /nfs/dbraw/zinc/92/45/04/841924504.db2.gz KMISBZAJOFCDIX-VJBWXMMDSA-N 2 2 384.495 3.619 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Br)ccc2Cl)CCCO1 ZINC000432358573 842165623 /nfs/dbraw/zinc/16/56/23/842165623.db2.gz PTSQRDKHUMBKKV-CYBMUJFWSA-N 2 2 375.738 3.693 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Br)ccc2Cl)CCCO1 ZINC000432358573 842165630 /nfs/dbraw/zinc/16/56/30/842165630.db2.gz PTSQRDKHUMBKKV-CYBMUJFWSA-N 2 2 375.738 3.693 20 0 GHADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000623656198 861301527 /nfs/dbraw/zinc/30/15/27/861301527.db2.gz OXAHBDIXBQMBMU-CQSZACIVSA-N 2 2 377.330 3.661 20 0 GHADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000623656198 861301546 /nfs/dbraw/zinc/30/15/46/861301546.db2.gz OXAHBDIXBQMBMU-CQSZACIVSA-N 2 2 377.330 3.661 20 0 GHADLP COc1ncc(Br)cc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000623664697 861316830 /nfs/dbraw/zinc/31/68/30/861316830.db2.gz LLOUVMVFLFKMMV-UHFFFAOYSA-N 2 2 382.346 3.739 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccsc1 ZINC000066987141 842636868 /nfs/dbraw/zinc/63/68/68/842636868.db2.gz IYWMUBVDIAVXET-HXUWFJFHSA-N 2 2 397.548 3.816 20 0 GHADLP Cc1cc(C)c(CNC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000652521751 842645197 /nfs/dbraw/zinc/64/51/97/842645197.db2.gz XZJBYUDYMKMOJV-YMPZKCBVSA-N 2 2 392.547 3.798 20 0 GHADLP Cc1cc(C)c(CNC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000652521751 842645203 /nfs/dbraw/zinc/64/52/03/842645203.db2.gz XZJBYUDYMKMOJV-YMPZKCBVSA-N 2 2 392.547 3.798 20 0 GHADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481417131 861338827 /nfs/dbraw/zinc/33/88/27/861338827.db2.gz QPAMCCHMLDNUSF-KOSHJBKYSA-N 2 2 398.522 3.950 20 0 GHADLP OC(C[NH+]1CC[C@@H](c2ccccc2F)C1)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000555583970 861339767 /nfs/dbraw/zinc/33/97/67/861339767.db2.gz SLLRYHWUFPQVBD-QZTJIDSGSA-N 2 2 386.486 3.605 20 0 GHADLP OC(C[NH+]1CC[C@@H](c2ccccc2F)C1)C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000555583970 861339782 /nfs/dbraw/zinc/33/97/82/861339782.db2.gz SLLRYHWUFPQVBD-QZTJIDSGSA-N 2 2 386.486 3.605 20 0 GHADLP Nc1cccc2c1cc[nH+]c2NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000663705307 842816620 /nfs/dbraw/zinc/81/66/20/842816620.db2.gz PJMBVTWHJBTREQ-UHFFFAOYSA-N 2 2 380.467 3.911 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000051335330 842843388 /nfs/dbraw/zinc/84/33/88/842843388.db2.gz SLMHVHFSLPYXRJ-UHFFFAOYSA-N 2 2 384.524 3.548 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000471861414 842945688 /nfs/dbraw/zinc/94/56/88/842945688.db2.gz HIJYXHUZFMOPFT-VXKWHMMOSA-N 2 2 390.531 3.833 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000471861414 842945699 /nfs/dbraw/zinc/94/56/99/842945699.db2.gz HIJYXHUZFMOPFT-VXKWHMMOSA-N 2 2 390.531 3.833 20 0 GHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[NH+](C)C ZINC000510556343 842958210 /nfs/dbraw/zinc/95/82/10/842958210.db2.gz XPUZDWPXZMDWCM-LZJOCLMNSA-N 2 2 382.552 3.754 20 0 GHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[NH+](C)C ZINC000510556343 842958212 /nfs/dbraw/zinc/95/82/12/842958212.db2.gz XPUZDWPXZMDWCM-LZJOCLMNSA-N 2 2 382.552 3.754 20 0 GHADLP Cc1nc(C[NH+]2CCC(c3nc(-c4ccn5c[nH+]cc5c4)no3)CC2)cs1 ZINC000279560924 843130720 /nfs/dbraw/zinc/13/07/20/843130720.db2.gz NKLAKXCQXIFMTC-UHFFFAOYSA-N 2 2 380.477 3.529 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000178682694 861396478 /nfs/dbraw/zinc/39/64/78/861396478.db2.gz NPULWQIBCAMTBN-RDPSFJRHSA-N 2 2 392.591 3.719 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000178682694 861396497 /nfs/dbraw/zinc/39/64/97/861396497.db2.gz NPULWQIBCAMTBN-RDPSFJRHSA-N 2 2 392.591 3.719 20 0 GHADLP FC(F)(F)C(F)(F)COCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512268296 843274470 /nfs/dbraw/zinc/27/44/70/843274470.db2.gz HZDCGADUYSEJSK-KRWDZBQOSA-N 2 2 392.412 3.799 20 0 GHADLP FC(F)(F)C(F)(F)COCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512268296 843274478 /nfs/dbraw/zinc/27/44/78/843274478.db2.gz HZDCGADUYSEJSK-KRWDZBQOSA-N 2 2 392.412 3.799 20 0 GHADLP FC(F)(F)C(F)(F)COCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512268296 843274488 /nfs/dbraw/zinc/27/44/88/843274488.db2.gz HZDCGADUYSEJSK-KRWDZBQOSA-N 2 2 392.412 3.799 20 0 GHADLP FC(F)(F)C(F)(F)COCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512268296 843274496 /nfs/dbraw/zinc/27/44/96/843274496.db2.gz HZDCGADUYSEJSK-KRWDZBQOSA-N 2 2 392.412 3.799 20 0 GHADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512275090 843297853 /nfs/dbraw/zinc/29/78/53/843297853.db2.gz CZORKOPNGXOXPB-BWKNWUBXSA-N 2 2 391.559 3.632 20 0 GHADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512275090 843297862 /nfs/dbraw/zinc/29/78/62/843297862.db2.gz CZORKOPNGXOXPB-BWKNWUBXSA-N 2 2 391.559 3.632 20 0 GHADLP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512275090 843297871 /nfs/dbraw/zinc/29/78/71/843297871.db2.gz CZORKOPNGXOXPB-BWKNWUBXSA-N 2 2 391.559 3.632 20 0 GHADLP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512275090 843297883 /nfs/dbraw/zinc/29/78/83/843297883.db2.gz CZORKOPNGXOXPB-BWKNWUBXSA-N 2 2 391.559 3.632 20 0 GHADLP CCCOc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000158018180 843304065 /nfs/dbraw/zinc/30/40/65/843304065.db2.gz AZEYIUICZPGWMN-UHFFFAOYSA-N 2 2 396.963 3.619 20 0 GHADLP CCCOc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000158018180 843304078 /nfs/dbraw/zinc/30/40/78/843304078.db2.gz AZEYIUICZPGWMN-UHFFFAOYSA-N 2 2 396.963 3.619 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000662511653 843367846 /nfs/dbraw/zinc/36/78/46/843367846.db2.gz XOXZENUWZQUTQP-WTNAPCKOSA-N 2 2 399.485 3.519 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000662511653 843367847 /nfs/dbraw/zinc/36/78/47/843367847.db2.gz XOXZENUWZQUTQP-WTNAPCKOSA-N 2 2 399.485 3.519 20 0 GHADLP CC[N@H+](CC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Cc1ccccc1Cl ZINC000555622647 861419956 /nfs/dbraw/zinc/41/99/56/861419956.db2.gz PRNKUUJGLFEGFA-GHTZIAJQSA-N 2 2 389.971 3.637 20 0 GHADLP CC[N@@H+](CC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Cc1ccccc1Cl ZINC000555622647 861419964 /nfs/dbraw/zinc/41/99/64/861419964.db2.gz PRNKUUJGLFEGFA-GHTZIAJQSA-N 2 2 389.971 3.637 20 0 GHADLP CC[NH+](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Cc1ccccc1Cl ZINC000555622647 861419970 /nfs/dbraw/zinc/41/99/70/861419970.db2.gz PRNKUUJGLFEGFA-GHTZIAJQSA-N 2 2 389.971 3.637 20 0 GHADLP CC[NH+](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Cc1ccccc1Cl ZINC000555622647 861419976 /nfs/dbraw/zinc/41/99/76/861419976.db2.gz PRNKUUJGLFEGFA-GHTZIAJQSA-N 2 2 389.971 3.637 20 0 GHADLP CC[N@H+](CC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Cc1ccccc1Cl ZINC000555622649 861420190 /nfs/dbraw/zinc/42/01/90/861420190.db2.gz PRNKUUJGLFEGFA-RXVVDRJESA-N 2 2 389.971 3.637 20 0 GHADLP CC[N@@H+](CC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Cc1ccccc1Cl ZINC000555622649 861420200 /nfs/dbraw/zinc/42/02/00/861420200.db2.gz PRNKUUJGLFEGFA-RXVVDRJESA-N 2 2 389.971 3.637 20 0 GHADLP CC[NH+](CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Cc1ccccc1Cl ZINC000555622649 861420210 /nfs/dbraw/zinc/42/02/10/861420210.db2.gz PRNKUUJGLFEGFA-RXVVDRJESA-N 2 2 389.971 3.637 20 0 GHADLP CC[NH+](CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Cc1ccccc1Cl ZINC000555622649 861420221 /nfs/dbraw/zinc/42/02/21/861420221.db2.gz PRNKUUJGLFEGFA-RXVVDRJESA-N 2 2 389.971 3.637 20 0 GHADLP Clc1cccc(-n2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)nn2)c1Cl ZINC000512355026 843517789 /nfs/dbraw/zinc/51/77/89/843517789.db2.gz PCXKWQUTUROWDH-UHFFFAOYSA-N 2 2 377.279 3.677 20 0 GHADLP Fc1ccccc1N1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000513360808 845280586 /nfs/dbraw/zinc/28/05/86/845280586.db2.gz FLJKKAUBXKBQMA-QFIPXVFZSA-N 2 2 397.538 3.629 20 0 GHADLP Fc1ccccc1N1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000513360808 845280592 /nfs/dbraw/zinc/28/05/92/845280592.db2.gz FLJKKAUBXKBQMA-QFIPXVFZSA-N 2 2 397.538 3.629 20 0 GHADLP Fc1ccccc1N1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000513360808 845280598 /nfs/dbraw/zinc/28/05/98/845280598.db2.gz FLJKKAUBXKBQMA-QFIPXVFZSA-N 2 2 397.538 3.629 20 0 GHADLP Fc1ccccc1N1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000513360808 845280602 /nfs/dbraw/zinc/28/06/02/845280602.db2.gz FLJKKAUBXKBQMA-QFIPXVFZSA-N 2 2 397.538 3.629 20 0 GHADLP C[C@@H]1C[C@H](CCNc2cc(N3CCSCC3)[nH+]cn2)C[N@@H+]1Cc1ccccc1 ZINC000433765396 845331705 /nfs/dbraw/zinc/33/17/05/845331705.db2.gz HUHQFOPCJWIRTG-QUCCMNQESA-N 2 2 397.592 3.742 20 0 GHADLP C[C@@H]1C[C@H](CCNc2cc(N3CCSCC3)[nH+]cn2)C[N@H+]1Cc1ccccc1 ZINC000433765396 845331716 /nfs/dbraw/zinc/33/17/16/845331716.db2.gz HUHQFOPCJWIRTG-QUCCMNQESA-N 2 2 397.592 3.742 20 0 GHADLP C[C@@H]1C[C@H](CCNc2cc(N3CCSCC3)nc[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000433765396 845331743 /nfs/dbraw/zinc/33/17/43/845331743.db2.gz HUHQFOPCJWIRTG-QUCCMNQESA-N 2 2 397.592 3.742 20 0 GHADLP C[C@@H]1C[C@H](CCNc2cc(N3CCSCC3)nc[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000433765396 845331756 /nfs/dbraw/zinc/33/17/56/845331756.db2.gz HUHQFOPCJWIRTG-QUCCMNQESA-N 2 2 397.592 3.742 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1O ZINC000277254480 845432270 /nfs/dbraw/zinc/43/22/70/845432270.db2.gz PVOAIZMPNGANJJ-ROUUACIJSA-N 2 2 383.536 3.932 20 0 GHADLP CC(CC[NH+]1CCC2(CCC[NH+]2C)CC1)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000411448449 845450249 /nfs/dbraw/zinc/45/02/49/845450249.db2.gz RISGMZIBCBFIAP-UHFFFAOYSA-N 4 2 390.660 3.523 20 0 GHADLP CC(CC[NH+]1CCC2(CCC[NH+]2C)CC1)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000411448449 845450255 /nfs/dbraw/zinc/45/02/55/845450255.db2.gz RISGMZIBCBFIAP-UHFFFAOYSA-N 4 2 390.660 3.523 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657311800 846040660 /nfs/dbraw/zinc/04/06/60/846040660.db2.gz VNAZPQSWNVFTAO-LJQANCHMSA-N 3 2 375.520 3.789 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657311800 846040666 /nfs/dbraw/zinc/04/06/66/846040666.db2.gz VNAZPQSWNVFTAO-LJQANCHMSA-N 3 2 375.520 3.789 20 0 GHADLP Cc1cnc(Cl)c(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000892151326 846072013 /nfs/dbraw/zinc/07/20/13/846072013.db2.gz QYUJXHVQWIRWAM-UHFFFAOYSA-N 3 2 378.992 3.672 20 0 GHADLP Cc1cnc(Cl)c(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000892151326 846072016 /nfs/dbraw/zinc/07/20/16/846072016.db2.gz QYUJXHVQWIRWAM-UHFFFAOYSA-N 3 2 378.992 3.672 20 0 GHADLP Cn1c(Br)ccc1C[N@@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001279881528 846376484 /nfs/dbraw/zinc/37/64/84/846376484.db2.gz YZQYVRXZOIOHPI-UHFFFAOYSA-N 2 2 388.353 3.767 20 0 GHADLP Cn1c(Br)ccc1C[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001279881528 846376492 /nfs/dbraw/zinc/37/64/92/846376492.db2.gz YZQYVRXZOIOHPI-UHFFFAOYSA-N 2 2 388.353 3.767 20 0 GHADLP c1ccc([C@H]2C[C@@H]2CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)cc1 ZINC000503012708 846728005 /nfs/dbraw/zinc/72/80/05/846728005.db2.gz DIROIWASTOTXAK-UYAOXDASSA-N 2 2 376.504 3.653 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3coc4cc(C)c(C)cc34)CC2)CC1 ZINC000422007103 846745192 /nfs/dbraw/zinc/74/51/92/846745192.db2.gz MRBZHORWPRPVMS-UHFFFAOYSA-N 2 2 397.563 3.611 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3coc4cc(C)c(C)cc34)CC2)CC1 ZINC000422007103 846745194 /nfs/dbraw/zinc/74/51/94/846745194.db2.gz MRBZHORWPRPVMS-UHFFFAOYSA-N 2 2 397.563 3.611 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(SC)ccc3Cl)CC2)CC1 ZINC000422011466 846750158 /nfs/dbraw/zinc/75/01/58/846750158.db2.gz UNFZILXRJPWJQQ-UHFFFAOYSA-N 2 2 396.000 3.694 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(SC)ccc3Cl)CC2)CC1 ZINC000422011466 846750170 /nfs/dbraw/zinc/75/01/70/846750170.db2.gz UNFZILXRJPWJQQ-UHFFFAOYSA-N 2 2 396.000 3.694 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1 ZINC000422020056 846772329 /nfs/dbraw/zinc/77/23/29/846772329.db2.gz MBINATRMPCTOHC-UHFFFAOYSA-N 2 2 383.511 3.611 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1 ZINC000422020056 846772337 /nfs/dbraw/zinc/77/23/37/846772337.db2.gz MBINATRMPCTOHC-UHFFFAOYSA-N 2 2 383.511 3.611 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)CC1 ZINC000422020031 846772457 /nfs/dbraw/zinc/77/24/57/846772457.db2.gz LYZVZCXLHWFQGF-QHAWAJNXSA-N 2 2 375.601 3.612 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)CC1 ZINC000422020031 846772464 /nfs/dbraw/zinc/77/24/64/846772464.db2.gz LYZVZCXLHWFQGF-QHAWAJNXSA-N 2 2 375.601 3.612 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503073886 846776087 /nfs/dbraw/zinc/77/60/87/846776087.db2.gz ITMJJMXMEGXWRU-KNKQGSTJSA-N 2 2 380.536 3.593 20 0 GHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503073886 846776097 /nfs/dbraw/zinc/77/60/97/846776097.db2.gz ITMJJMXMEGXWRU-KNKQGSTJSA-N 2 2 380.536 3.593 20 0 GHADLP CC[C@H](c1ccncc1)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000179703514 861717864 /nfs/dbraw/zinc/71/78/64/861717864.db2.gz QOOZBPDTOPFGAB-HSZRJFAPSA-N 2 2 394.563 3.507 20 0 GHADLP CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000179703514 861717873 /nfs/dbraw/zinc/71/78/73/861717873.db2.gz QOOZBPDTOPFGAB-HSZRJFAPSA-N 2 2 394.563 3.507 20 0 GHADLP CC[C@H](c1ccncc1)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000179703514 861717881 /nfs/dbraw/zinc/71/78/81/861717881.db2.gz QOOZBPDTOPFGAB-HSZRJFAPSA-N 2 2 394.563 3.507 20 0 GHADLP CC[C@H](c1ccncc1)[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000179703514 861717888 /nfs/dbraw/zinc/71/78/88/861717888.db2.gz QOOZBPDTOPFGAB-HSZRJFAPSA-N 2 2 394.563 3.507 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(Cl)cc1Cl ZINC000647899413 847080228 /nfs/dbraw/zinc/08/02/28/847080228.db2.gz JQHQXVHYSBBZAW-DEYYWGMASA-N 2 2 384.351 3.635 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(Cl)cc1Cl ZINC000647899413 847080235 /nfs/dbraw/zinc/08/02/35/847080235.db2.gz JQHQXVHYSBBZAW-DEYYWGMASA-N 2 2 384.351 3.635 20 0 GHADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000420379346 847148861 /nfs/dbraw/zinc/14/88/61/847148861.db2.gz VIFRDTOOPJIMEP-XLIONFOSSA-N 2 2 394.437 3.830 20 0 GHADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000420379346 847148866 /nfs/dbraw/zinc/14/88/66/847148866.db2.gz VIFRDTOOPJIMEP-XLIONFOSSA-N 2 2 394.437 3.830 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000420409278 847173725 /nfs/dbraw/zinc/17/37/25/847173725.db2.gz WVUDGVHOTJFXLD-OFNKIYASSA-N 2 2 393.531 3.668 20 0 GHADLP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000420409278 847173738 /nfs/dbraw/zinc/17/37/38/847173738.db2.gz WVUDGVHOTJFXLD-OFNKIYASSA-N 2 2 393.531 3.668 20 0 GHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000582455837 847287498 /nfs/dbraw/zinc/28/74/98/847287498.db2.gz NHSOPUZRMRVJRM-UHFFFAOYSA-N 2 2 377.492 3.888 20 0 GHADLP COC[C@H]([NH2+]Cc1cccc(C[NH2+][C@@H](COC)c2ccco2)c1)c1ccco1 ZINC000273541799 847367098 /nfs/dbraw/zinc/36/70/98/847367098.db2.gz VOINWWAAWHWEIQ-PMACEKPBSA-N 2 2 384.476 3.827 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000503254100 847524497 /nfs/dbraw/zinc/52/44/97/847524497.db2.gz DEHQKYFUDRVMJF-ZWKOTPCHSA-N 2 2 398.378 3.581 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000503254100 847524501 /nfs/dbraw/zinc/52/45/01/847524501.db2.gz DEHQKYFUDRVMJF-ZWKOTPCHSA-N 2 2 398.378 3.581 20 0 GHADLP FC(F)(F)C1(C(F)(F)F)CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420912282 847530670 /nfs/dbraw/zinc/53/06/70/847530670.db2.gz HDKFIAYINBNHKJ-UHFFFAOYSA-N 2 2 396.375 3.836 20 0 GHADLP FC(F)(F)C1(C(F)(F)F)CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420912282 847530679 /nfs/dbraw/zinc/53/06/79/847530679.db2.gz HDKFIAYINBNHKJ-UHFFFAOYSA-N 2 2 396.375 3.836 20 0 GHADLP OCCC[N@H+](Cc1cccc(Cl)c1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420942933 847586529 /nfs/dbraw/zinc/58/65/29/847586529.db2.gz VWXBUQMVOXHKFS-UHFFFAOYSA-N 2 2 388.939 3.557 20 0 GHADLP OCCC[N@@H+](Cc1cccc(Cl)c1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420942933 847586537 /nfs/dbraw/zinc/58/65/37/847586537.db2.gz VWXBUQMVOXHKFS-UHFFFAOYSA-N 2 2 388.939 3.557 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3csc(-c4ccsc4)n3)CC2)CC1 ZINC000420979326 847605530 /nfs/dbraw/zinc/60/55/30/847605530.db2.gz KKISVJMKDCMMAU-UHFFFAOYSA-N 2 2 390.622 3.864 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3csc(-c4ccsc4)n3)CC2)CC1 ZINC000420979326 847605533 /nfs/dbraw/zinc/60/55/33/847605533.db2.gz KKISVJMKDCMMAU-UHFFFAOYSA-N 2 2 390.622 3.864 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cc(Cl)ccc3C)CC2)CC1 ZINC000421040238 847653338 /nfs/dbraw/zinc/65/33/38/847653338.db2.gz MHKGAPGGOAAQBA-UHFFFAOYSA-N 2 2 378.948 3.672 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cc(Cl)ccc3C)CC2)CC1 ZINC000421040238 847653342 /nfs/dbraw/zinc/65/33/42/847653342.db2.gz MHKGAPGGOAAQBA-UHFFFAOYSA-N 2 2 378.948 3.672 20 0 GHADLP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000503382615 847656976 /nfs/dbraw/zinc/65/69/76/847656976.db2.gz JEXUYHANCRKLTR-RBUKOAKNSA-N 2 2 386.584 3.969 20 0 GHADLP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000503382615 847656982 /nfs/dbraw/zinc/65/69/82/847656982.db2.gz JEXUYHANCRKLTR-RBUKOAKNSA-N 2 2 386.584 3.969 20 0 GHADLP O=C1[C@H]([N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCN1c1ccc(Cl)cc1 ZINC000503409976 847674380 /nfs/dbraw/zinc/67/43/80/847674380.db2.gz YECXODANSPWLOO-OXJNMPFZSA-N 2 2 398.938 3.858 20 0 GHADLP O=C1[C@H]([N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCN1c1ccc(Cl)cc1 ZINC000503409976 847674385 /nfs/dbraw/zinc/67/43/85/847674385.db2.gz YECXODANSPWLOO-OXJNMPFZSA-N 2 2 398.938 3.858 20 0 GHADLP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503429349 847686782 /nfs/dbraw/zinc/68/67/82/847686782.db2.gz IKPSBGDPNLOOPY-NRFANRHFSA-N 2 2 394.563 3.836 20 0 GHADLP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503429349 847686789 /nfs/dbraw/zinc/68/67/89/847686789.db2.gz IKPSBGDPNLOOPY-NRFANRHFSA-N 2 2 394.563 3.836 20 0 GHADLP COc1ccc(Oc2cc(C[NH2+][C@H](Cc3ccccc3)[C@@H](C)[NH3+])ccn2)cc1 ZINC000422690554 847782448 /nfs/dbraw/zinc/78/24/48/847782448.db2.gz GSOVNFSEDJPVJO-VGOFRKELSA-N 2 2 377.488 3.931 20 0 GHADLP COc1ccc([C@@H]([NH2+]C2CCN(c3ccccc3OC)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422841690 847862984 /nfs/dbraw/zinc/86/29/84/847862984.db2.gz WOVBJQMFDAXDKG-XUZZJYLKSA-N 2 2 395.547 3.756 20 0 GHADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)s2)cc1 ZINC000422978514 847926793 /nfs/dbraw/zinc/92/67/93/847926793.db2.gz HNVQKXGZNPKOFZ-ZQIUZPCESA-N 2 2 375.538 3.545 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000423040898 847951872 /nfs/dbraw/zinc/95/18/72/847951872.db2.gz VGPHFLAMLQWAKE-UGFHNGPFSA-N 2 2 395.263 3.799 20 0 GHADLP CC(C)Oc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000560449166 848012392 /nfs/dbraw/zinc/01/23/92/848012392.db2.gz UEMAHFUQSJJYEV-UHFFFAOYSA-N 2 2 388.556 3.546 20 0 GHADLP c1ccc([C@@H]2C[NH+](CCCC[N@@H+]3CCO[C@H](c4ccccc4)C3)CCO2)cc1 ZINC000077250324 848234871 /nfs/dbraw/zinc/23/48/71/848234871.db2.gz DQSMADISSSACCI-ZEQRLZLVSA-N 2 2 380.532 3.914 20 0 GHADLP c1ccc([C@@H]2C[NH+](CCCC[N@H+]3CCO[C@H](c4ccccc4)C3)CCO2)cc1 ZINC000077250324 848234881 /nfs/dbraw/zinc/23/48/81/848234881.db2.gz DQSMADISSSACCI-ZEQRLZLVSA-N 2 2 380.532 3.914 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cs2)c(OC)c1 ZINC000582968700 848786403 /nfs/dbraw/zinc/78/64/03/848786403.db2.gz UEVVWEACMNZGEA-KKUMJFAQSA-N 2 2 375.538 3.633 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cs2)c(OC)c1 ZINC000582968700 848786405 /nfs/dbraw/zinc/78/64/05/848786405.db2.gz UEVVWEACMNZGEA-KKUMJFAQSA-N 2 2 375.538 3.633 20 0 GHADLP C[C@@H](OC[C@@H](O)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000583019404 848887270 /nfs/dbraw/zinc/88/72/70/848887270.db2.gz ANPYIPLUIKNJMI-VGSWGCGISA-N 2 2 399.922 3.813 20 0 GHADLP c1cc(OCC[NH+]2CCCC2)ccc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000599950138 861954424 /nfs/dbraw/zinc/95/44/24/861954424.db2.gz NIXCRKCAZIWWJB-UHFFFAOYSA-N 2 2 381.524 3.554 20 0 GHADLP c1cc(OCC[NH+]2CCCC2)ccc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000599950138 861954437 /nfs/dbraw/zinc/95/44/37/861954437.db2.gz NIXCRKCAZIWWJB-UHFFFAOYSA-N 2 2 381.524 3.554 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000123129768 849064808 /nfs/dbraw/zinc/06/48/08/849064808.db2.gz HKZOTDFREDPASC-UXPWSPDFSA-N 2 2 388.556 3.642 20 0 GHADLP CC(C)C[C@H](CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000535933472 849089133 /nfs/dbraw/zinc/08/91/33/849089133.db2.gz ZPFFWNGKHZYKST-HMXCVIKNSA-N 2 2 397.567 3.685 20 0 GHADLP CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604209275 861994434 /nfs/dbraw/zinc/99/44/34/861994434.db2.gz NKPFTUPXAPRECU-MDNUFGMLSA-N 2 2 398.595 3.523 20 0 GHADLP CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604209275 861994440 /nfs/dbraw/zinc/99/44/40/861994440.db2.gz NKPFTUPXAPRECU-MDNUFGMLSA-N 2 2 398.595 3.523 20 0 GHADLP CCCCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H](C)c1ccccc1 ZINC000604209310 861995643 /nfs/dbraw/zinc/99/56/43/861995643.db2.gz RKHYIHLGWGKPCA-CTNGQTDRSA-N 2 2 386.584 3.728 20 0 GHADLP CCCCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H](C)c1ccccc1 ZINC000604209310 861995652 /nfs/dbraw/zinc/99/56/52/861995652.db2.gz RKHYIHLGWGKPCA-CTNGQTDRSA-N 2 2 386.584 3.728 20 0 GHADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000583187327 849282488 /nfs/dbraw/zinc/28/24/88/849282488.db2.gz RCLRDJITXLMDLQ-UHFFFAOYSA-N 2 2 389.503 3.854 20 0 GHADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000154877896 849393095 /nfs/dbraw/zinc/39/30/95/849393095.db2.gz DCKAZUIFFYYQOM-RDPSFJRHSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000154877896 849393105 /nfs/dbraw/zinc/39/31/05/849393105.db2.gz DCKAZUIFFYYQOM-RDPSFJRHSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000154877896 849393115 /nfs/dbraw/zinc/39/31/15/849393115.db2.gz DCKAZUIFFYYQOM-RDPSFJRHSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000154877896 849393126 /nfs/dbraw/zinc/39/31/26/849393126.db2.gz DCKAZUIFFYYQOM-RDPSFJRHSA-N 3 2 380.580 3.922 20 0 GHADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751321 849619355 /nfs/dbraw/zinc/61/93/55/849619355.db2.gz PZOVENZMMBUWFH-NRFANRHFSA-N 2 2 382.552 3.513 20 0 GHADLP C[C@@H](CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000425179035 849749730 /nfs/dbraw/zinc/74/97/30/849749730.db2.gz SYQBVQNAYRJZET-RXVVDRJESA-N 2 2 376.504 3.568 20 0 GHADLP C[C@@H](CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000425179035 849749735 /nfs/dbraw/zinc/74/97/35/849749735.db2.gz SYQBVQNAYRJZET-RXVVDRJESA-N 2 2 376.504 3.568 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000423148433 849760567 /nfs/dbraw/zinc/76/05/67/849760567.db2.gz GAGACZVMJAEDLK-MBSDFSHPSA-N 3 2 386.584 3.510 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000423148432 849760884 /nfs/dbraw/zinc/76/08/84/849760884.db2.gz GAGACZVMJAEDLK-JPYJTQIMSA-N 3 2 386.584 3.510 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000150959808 849781195 /nfs/dbraw/zinc/78/11/95/849781195.db2.gz IUTCBNAVGDDIAT-OALUTQOASA-N 2 2 388.515 3.759 20 0 GHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000423245683 849826537 /nfs/dbraw/zinc/82/65/37/849826537.db2.gz PEXFVHKLLXSXHM-FOIQADDNSA-N 2 2 375.538 3.532 20 0 GHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423514313 849963251 /nfs/dbraw/zinc/96/32/51/849963251.db2.gz WGHSFYGWDZYKDP-HTAPYJJXSA-N 2 2 378.520 3.912 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000434999622 849968679 /nfs/dbraw/zinc/96/86/79/849968679.db2.gz IQQWMOUCNCNGOD-JOCHJYFZSA-N 2 2 390.487 3.978 20 0 GHADLP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000481707597 862101110 /nfs/dbraw/zinc/10/11/10/862101110.db2.gz ORMCFKLDLSOJKI-UHFFFAOYSA-N 2 2 397.519 3.732 20 0 GHADLP COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)N(C)C)cc1OC ZINC000180379680 862109789 /nfs/dbraw/zinc/10/97/89/862109789.db2.gz YKQANHOMKPMIFG-UWJYYQICSA-N 2 2 394.519 3.843 20 0 GHADLP C[C@@H](c1cccc(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)c1)[NH+]1CCOCC1 ZINC000514860557 850397526 /nfs/dbraw/zinc/39/75/26/850397526.db2.gz MDYIVOCFVGYCGD-LAUBAEHRSA-N 2 2 381.520 3.745 20 0 GHADLP CCOCc1cc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)ccc1OC ZINC000435387229 850453197 /nfs/dbraw/zinc/45/31/97/850453197.db2.gz YLTBIBSQBTYERR-QFIPXVFZSA-N 2 2 383.536 3.771 20 0 GHADLP CCOCc1cc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)ccc1OC ZINC000435387229 850453200 /nfs/dbraw/zinc/45/32/00/850453200.db2.gz YLTBIBSQBTYERR-QFIPXVFZSA-N 2 2 383.536 3.771 20 0 GHADLP FC(F)COc1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435391543 850458088 /nfs/dbraw/zinc/45/80/88/850458088.db2.gz SVQYCGPLSOKWRD-IBGZPJMESA-N 2 2 375.463 3.870 20 0 GHADLP FC(F)COc1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435391543 850458094 /nfs/dbraw/zinc/45/80/94/850458094.db2.gz SVQYCGPLSOKWRD-IBGZPJMESA-N 2 2 375.463 3.870 20 0 GHADLP Cn1ccnc1C[N@H+](Cc1cccc(-c2ccccn2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435423331 850503619 /nfs/dbraw/zinc/50/36/19/850503619.db2.gz SYBADDOEIKKFIC-QFIPXVFZSA-N 2 2 387.531 3.626 20 0 GHADLP Cn1ccnc1C[N@@H+](Cc1cccc(-c2ccccn2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435423331 850503623 /nfs/dbraw/zinc/50/36/23/850503623.db2.gz SYBADDOEIKKFIC-QFIPXVFZSA-N 2 2 387.531 3.626 20 0 GHADLP C[NH+](C)CCOc1cccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000519023523 850508078 /nfs/dbraw/zinc/50/80/78/850508078.db2.gz OITOWYKUHNMPPV-UHFFFAOYSA-N 2 2 399.539 3.548 20 0 GHADLP Cc1cc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(Cl)cc1F ZINC000487267356 850628003 /nfs/dbraw/zinc/62/80/03/850628003.db2.gz KKLVQLLYBOBTFY-UHFFFAOYSA-N 2 2 396.938 3.859 20 0 GHADLP C[N@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435624351 850721364 /nfs/dbraw/zinc/72/13/64/850721364.db2.gz JFFUARMHRDSFDV-YJBOKZPZSA-N 2 2 384.351 3.731 20 0 GHADLP C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435624351 850721369 /nfs/dbraw/zinc/72/13/69/850721369.db2.gz JFFUARMHRDSFDV-YJBOKZPZSA-N 2 2 384.351 3.731 20 0 GHADLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CCO1 ZINC000668784204 850771295 /nfs/dbraw/zinc/77/12/95/850771295.db2.gz CGVRDSSSPOENIK-QFIPXVFZSA-N 2 2 396.579 3.768 20 0 GHADLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CCO1 ZINC000668784204 850771302 /nfs/dbraw/zinc/77/13/02/850771302.db2.gz CGVRDSSSPOENIK-QFIPXVFZSA-N 2 2 396.579 3.768 20 0 GHADLP COc1cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)ccc1OCc1ccccc1 ZINC000668785894 850788115 /nfs/dbraw/zinc/78/81/15/850788115.db2.gz QDFVNGCIJJBLAT-QFIPXVFZSA-N 2 2 398.547 3.817 20 0 GHADLP COc1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)ccc1OCc1ccccc1 ZINC000668785894 850788121 /nfs/dbraw/zinc/78/81/21/850788121.db2.gz QDFVNGCIJJBLAT-QFIPXVFZSA-N 2 2 398.547 3.817 20 0 GHADLP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513817053 850909549 /nfs/dbraw/zinc/90/95/49/850909549.db2.gz ZVFRWVQPEGUCEJ-INIZCTEOSA-N 2 2 392.494 3.927 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414840584 850920726 /nfs/dbraw/zinc/92/07/26/850920726.db2.gz XGVXPVZYTUFJAY-SUMWQHHRSA-N 2 2 381.398 3.592 20 0 GHADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)c(OC)c1 ZINC000414844670 851035907 /nfs/dbraw/zinc/03/59/07/851035907.db2.gz LCHHYAXNHNNDSX-OXQOHEQNSA-N 2 2 399.535 3.834 20 0 GHADLP Cc1ncsc1C[N@H+](CCOc1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC000436046612 851145760 /nfs/dbraw/zinc/14/57/60/851145760.db2.gz BGZBRFOKCGYLRI-OAHLLOKOSA-N 2 2 399.482 3.961 20 0 GHADLP Cc1ncsc1C[N@@H+](CCOc1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC000436046612 851145762 /nfs/dbraw/zinc/14/57/62/851145762.db2.gz BGZBRFOKCGYLRI-OAHLLOKOSA-N 2 2 399.482 3.961 20 0 GHADLP Cc1ncsc1C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000436054618 851174315 /nfs/dbraw/zinc/17/43/15/851174315.db2.gz QFNLBKYASZKMAV-OAHLLOKOSA-N 2 2 399.482 3.961 20 0 GHADLP Cc1ncsc1C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000436054618 851174321 /nfs/dbraw/zinc/17/43/21/851174321.db2.gz QFNLBKYASZKMAV-OAHLLOKOSA-N 2 2 399.482 3.961 20 0 GHADLP CC(C)CC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccoc1 ZINC000514095319 851258959 /nfs/dbraw/zinc/25/89/59/851258959.db2.gz QROZRYYPWBCHRY-QFIPXVFZSA-N 2 2 383.536 3.934 20 0 GHADLP CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000625518436 862224630 /nfs/dbraw/zinc/22/46/30/862224630.db2.gz AZEKTFVXXYDINW-QUCCMNQESA-N 2 2 377.960 3.508 20 0 GHADLP CCC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000625518436 862224653 /nfs/dbraw/zinc/22/46/53/862224653.db2.gz AZEKTFVXXYDINW-QUCCMNQESA-N 2 2 377.960 3.508 20 0 GHADLP CCc1ccc([C@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)[NH+](C)C)cc1 ZINC000514197329 851365454 /nfs/dbraw/zinc/36/54/54/851365454.db2.gz MBOLSCNKCIYMFR-QFIPXVFZSA-N 2 2 391.519 3.537 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)NCCCC1CCCCC1 ZINC000434670984 851460840 /nfs/dbraw/zinc/46/08/40/851460840.db2.gz FOQJUURFANHUPS-UHFFFAOYSA-N 2 2 386.584 3.876 20 0 GHADLP O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000101545119 851659536 /nfs/dbraw/zinc/65/95/36/851659536.db2.gz FEMOYEORSNHFHJ-UHFFFAOYSA-N 2 2 395.894 3.771 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000550143212 851742036 /nfs/dbraw/zinc/74/20/36/851742036.db2.gz XOZKZBWAWZIFHG-MRXNPFEDSA-N 2 2 395.385 3.785 20 0 GHADLP CC(C)c1ncc(C[NH+](C)C/C=C\C[N@@H+](C)Cc2cnc(C(C)C)nc2)cn1 ZINC000440463288 851876835 /nfs/dbraw/zinc/87/68/35/851876835.db2.gz PBHAAKDXDCIMIU-FPLPWBNLSA-N 2 2 382.556 3.633 20 0 GHADLP CC(C)c1ncc(C[NH+](C)C/C=C\C[N@H+](C)Cc2cnc(C(C)C)nc2)cn1 ZINC000440463288 851876843 /nfs/dbraw/zinc/87/68/43/851876843.db2.gz PBHAAKDXDCIMIU-FPLPWBNLSA-N 2 2 382.556 3.633 20 0 GHADLP CCC(CC)[C@@H](CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)[NH+](C)C ZINC000438000140 851936354 /nfs/dbraw/zinc/93/63/54/851936354.db2.gz HNWZRZMBDWRCJU-DYESRHJHSA-N 2 2 390.572 3.568 20 0 GHADLP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000516070470 852135879 /nfs/dbraw/zinc/13/58/79/852135879.db2.gz FYALDHCSZKVHBT-GEQKSPFYSA-N 2 2 394.563 3.782 20 0 GHADLP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000516070470 852135887 /nfs/dbraw/zinc/13/58/87/852135887.db2.gz FYALDHCSZKVHBT-GEQKSPFYSA-N 2 2 394.563 3.782 20 0 GHADLP Clc1ccc(Br)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000506942071 852349389 /nfs/dbraw/zinc/34/93/89/852349389.db2.gz CTSGCQXZJUHOJG-UHFFFAOYSA-N 2 2 387.749 3.647 20 0 GHADLP C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2O)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000436828836 852377061 /nfs/dbraw/zinc/37/70/61/852377061.db2.gz NUALBAWVOAORNQ-KRWDZBQOSA-N 2 2 390.487 3.533 20 0 GHADLP CC[C@H](C)Oc1ccccc1/C=C/C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559263 862355402 /nfs/dbraw/zinc/35/54/02/862355402.db2.gz JVRBZKPNBYZNMI-DKARIYQYSA-N 2 2 399.579 3.504 20 0 GHADLP CC[C@H](C)Oc1ccccc1/C=C/C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559263 862355410 /nfs/dbraw/zinc/35/54/10/862355410.db2.gz JVRBZKPNBYZNMI-DKARIYQYSA-N 2 2 399.579 3.504 20 0 GHADLP CN(C(=O)CCc1ccc(Cl)c(Cl)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732558565 862357202 /nfs/dbraw/zinc/35/72/02/862357202.db2.gz BMSITXJSDHRINL-QGZVFWFLSA-N 2 2 398.378 3.553 20 0 GHADLP CN(C(=O)CCc1ccc(Cl)c(Cl)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732558565 862357223 /nfs/dbraw/zinc/35/72/23/862357223.db2.gz BMSITXJSDHRINL-QGZVFWFLSA-N 2 2 398.378 3.553 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](CCC(F)(F)F)CC2CC2)CC1 ZINC000438479457 852454367 /nfs/dbraw/zinc/45/43/67/852454367.db2.gz RUSMSIOPGGLLSQ-QGZVFWFLSA-N 2 2 397.485 3.556 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](CCC(F)(F)F)CC2CC2)CC1 ZINC000438479457 852454373 /nfs/dbraw/zinc/45/43/73/852454373.db2.gz RUSMSIOPGGLLSQ-QGZVFWFLSA-N 2 2 397.485 3.556 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2cc(C(C)(C)C)no2)CC1 ZINC000489659858 852512560 /nfs/dbraw/zinc/51/25/60/852512560.db2.gz PSZDHQNZYNQLFO-UHFFFAOYSA-N 2 2 398.551 3.755 20 0 GHADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2cc(C(C)(C)C)no2)CC1 ZINC000489659858 852512567 /nfs/dbraw/zinc/51/25/67/852512567.db2.gz PSZDHQNZYNQLFO-UHFFFAOYSA-N 2 2 398.551 3.755 20 0 GHADLP Cc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000426899089 852533276 /nfs/dbraw/zinc/53/32/76/852533276.db2.gz YVKKUBRBUYYYPJ-OAHLLOKOSA-N 2 2 395.425 3.600 20 0 GHADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000425676784 852618418 /nfs/dbraw/zinc/61/84/18/852618418.db2.gz TXSBAQAPLCJSTM-PMACEKPBSA-N 2 2 379.508 3.635 20 0 GHADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000425676784 852618433 /nfs/dbraw/zinc/61/84/33/852618433.db2.gz TXSBAQAPLCJSTM-PMACEKPBSA-N 2 2 379.508 3.635 20 0 GHADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000425676795 852618800 /nfs/dbraw/zinc/61/88/00/852618800.db2.gz TXSBAQAPLCJSTM-VQTJNVASSA-N 2 2 379.508 3.635 20 0 GHADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000425676795 852618806 /nfs/dbraw/zinc/61/88/06/852618806.db2.gz TXSBAQAPLCJSTM-VQTJNVASSA-N 2 2 379.508 3.635 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1Cl ZINC000507273617 852742745 /nfs/dbraw/zinc/74/27/45/852742745.db2.gz SWFMZADNARQTSO-WWTUQBGBSA-N 2 2 384.351 3.728 20 0 GHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1Cl ZINC000507273617 852742749 /nfs/dbraw/zinc/74/27/49/852742749.db2.gz SWFMZADNARQTSO-WWTUQBGBSA-N 2 2 384.351 3.728 20 0 GHADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519598799 852781562 /nfs/dbraw/zinc/78/15/62/852781562.db2.gz HYVNMHDSEDRKEM-WXFUMESZSA-N 3 2 397.607 3.541 20 0 GHADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519598799 852781566 /nfs/dbraw/zinc/78/15/66/852781566.db2.gz HYVNMHDSEDRKEM-WXFUMESZSA-N 3 2 397.607 3.541 20 0 GHADLP COc1ccc(CC[C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1O ZINC000426168472 852898367 /nfs/dbraw/zinc/89/83/67/852898367.db2.gz ZFPDBAMODCKGNM-QGZVFWFLSA-N 2 2 398.551 3.759 20 0 GHADLP COc1ccc([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c(Cl)c1 ZINC000516760774 852969667 /nfs/dbraw/zinc/96/96/67/852969667.db2.gz NEQMQMWTQBSSLX-VGOFRKELSA-N 2 2 387.955 3.988 20 0 GHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccncc3OC[C@@H]3CCOC3)CC2)C1 ZINC000490370941 852986211 /nfs/dbraw/zinc/98/62/11/852986211.db2.gz OWRWNLDQZSGLNN-WOIUINJBSA-N 2 2 387.568 3.630 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1cn(-c2ccccc2)nn1 ZINC000507520916 853003629 /nfs/dbraw/zinc/00/36/29/853003629.db2.gz UGODZDVBFUOYGM-CVNLYIMZSA-N 2 2 387.531 3.829 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1cn(-c2ccccc2)nn1 ZINC000507520916 853003640 /nfs/dbraw/zinc/00/36/40/853003640.db2.gz UGODZDVBFUOYGM-CVNLYIMZSA-N 2 2 387.531 3.829 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506474982 853226462 /nfs/dbraw/zinc/22/64/62/853226462.db2.gz REEXAICEPXMADR-FSSWDIPSSA-N 2 2 385.596 3.928 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506474982 853226468 /nfs/dbraw/zinc/22/64/68/853226468.db2.gz REEXAICEPXMADR-FSSWDIPSSA-N 2 2 385.596 3.928 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506474982 853226476 /nfs/dbraw/zinc/22/64/76/853226476.db2.gz REEXAICEPXMADR-FSSWDIPSSA-N 2 2 385.596 3.928 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506474982 853226484 /nfs/dbraw/zinc/22/64/84/853226484.db2.gz REEXAICEPXMADR-FSSWDIPSSA-N 2 2 385.596 3.928 20 0 GHADLP O=C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)N(Cc1ccccc1)C1CC1 ZINC000491061454 853431989 /nfs/dbraw/zinc/43/19/89/853431989.db2.gz NKCUMYBINXJVDA-QFIPXVFZSA-N 2 2 383.580 3.766 20 0 GHADLP O=C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)N(Cc1ccccc1)C1CC1 ZINC000491061454 853432002 /nfs/dbraw/zinc/43/20/02/853432002.db2.gz NKCUMYBINXJVDA-QFIPXVFZSA-N 2 2 383.580 3.766 20 0 GHADLP Cc1cccn2cc(CC(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)[nH+]c12 ZINC000586756782 853524544 /nfs/dbraw/zinc/52/45/44/853524544.db2.gz MFIIIXFNYJBMAB-UHFFFAOYSA-N 2 2 390.531 3.878 20 0 GHADLP FC(F)(F)c1cccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000517226376 853536194 /nfs/dbraw/zinc/53/61/94/853536194.db2.gz QHLLEXXMAIVZQD-ZBFHGGJFSA-N 2 2 380.414 3.719 20 0 GHADLP FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000517226376 853536203 /nfs/dbraw/zinc/53/62/03/853536203.db2.gz QHLLEXXMAIVZQD-ZBFHGGJFSA-N 2 2 380.414 3.719 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167988583 853611300 /nfs/dbraw/zinc/61/13/00/853611300.db2.gz RBBALYNVHKYIHR-YOFSQIOKSA-N 2 2 389.584 3.867 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167988583 853611304 /nfs/dbraw/zinc/61/13/04/853611304.db2.gz RBBALYNVHKYIHR-YOFSQIOKSA-N 2 2 389.584 3.867 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCCC[NH+]2C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167988583 853611307 /nfs/dbraw/zinc/61/13/07/853611307.db2.gz RBBALYNVHKYIHR-YOFSQIOKSA-N 2 2 389.584 3.867 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCCC[NH+]2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167988583 853611312 /nfs/dbraw/zinc/61/13/12/853611312.db2.gz RBBALYNVHKYIHR-YOFSQIOKSA-N 2 2 389.584 3.867 20 0 GHADLP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000556045072 862483831 /nfs/dbraw/zinc/48/38/31/862483831.db2.gz RUUISRFRNWYUQP-DFQSSKMNSA-N 2 2 395.547 3.590 20 0 GHADLP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000556045072 862483838 /nfs/dbraw/zinc/48/38/38/862483838.db2.gz RUUISRFRNWYUQP-DFQSSKMNSA-N 2 2 395.547 3.590 20 0 GHADLP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000414998536 853650102 /nfs/dbraw/zinc/65/01/02/853650102.db2.gz ICTZAUNZQPDNJA-QOFIPBISSA-N 2 2 381.539 3.944 20 0 GHADLP CC(C)(C)c1ccc(-c2ccc(C[NH2+]CCC[N@@H+]3CCC[C@@H]3C(N)=O)o2)cc1 ZINC000439472671 853684282 /nfs/dbraw/zinc/68/42/82/853684282.db2.gz TYZPLWMSORZLFD-HXUWFJFHSA-N 2 2 383.536 3.674 20 0 GHADLP CC(C)(C)c1ccc(-c2ccc(C[NH2+]CCC[N@H+]3CCC[C@@H]3C(N)=O)o2)cc1 ZINC000439472671 853684288 /nfs/dbraw/zinc/68/42/88/853684288.db2.gz TYZPLWMSORZLFD-HXUWFJFHSA-N 2 2 383.536 3.674 20 0 GHADLP C[C@](CO)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(C(F)(F)F)c1 ZINC000604767262 862506373 /nfs/dbraw/zinc/50/63/73/862506373.db2.gz GZBRVJKYYWXTBC-LJQANCHMSA-N 2 2 375.394 3.888 20 0 GHADLP Cc1ccc([C@H](OC[C@@H](O)C[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c2ccccc2)cc1 ZINC000571413892 853873233 /nfs/dbraw/zinc/87/32/33/853873233.db2.gz BQYIBFHQYNQGDH-FQUZAXHOSA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccc([C@H](OC[C@@H](O)C[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c2ccccc2)cc1 ZINC000571413892 853873234 /nfs/dbraw/zinc/87/32/34/853873234.db2.gz BQYIBFHQYNQGDH-FQUZAXHOSA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccc([C@H](OC[C@@H](O)C[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c2ccccc2)cc1 ZINC000571413892 853873237 /nfs/dbraw/zinc/87/32/37/853873237.db2.gz BQYIBFHQYNQGDH-FQUZAXHOSA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccc([C@H](OC[C@@H](O)C[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c2ccccc2)cc1 ZINC000571413892 853873239 /nfs/dbraw/zinc/87/32/39/853873239.db2.gz BQYIBFHQYNQGDH-FQUZAXHOSA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccc(CN(C(=O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)C2CC2)cc1 ZINC000520385067 854155915 /nfs/dbraw/zinc/15/59/15/854155915.db2.gz MUOMFDMJEVDLQR-UHFFFAOYSA-N 2 2 393.531 3.733 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2ccnn2C(C)C)c(C)c1 ZINC000441390656 854171446 /nfs/dbraw/zinc/17/14/46/854171446.db2.gz YBIIWKRSZQMXQS-UYAOXDASSA-N 2 2 394.523 3.635 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc4c(c3)Cc3ccccc3-4)CC2)CC1 ZINC000050799079 854359078 /nfs/dbraw/zinc/35/90/78/854359078.db2.gz SJFBJRDINJUGSX-UHFFFAOYSA-N 2 2 389.543 3.546 20 0 GHADLP Oc1ccc(C2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000572667871 854925866 /nfs/dbraw/zinc/92/58/66/854925866.db2.gz QBAKSVFMSWDDFQ-XMMPIXPASA-N 2 2 380.532 3.863 20 0 GHADLP Oc1ccc(C2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000572667871 854925873 /nfs/dbraw/zinc/92/58/73/854925873.db2.gz QBAKSVFMSWDDFQ-XMMPIXPASA-N 2 2 380.532 3.863 20 0 GHADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)cc2)[nH+]c1C ZINC000921666322 855064683 /nfs/dbraw/zinc/06/46/83/855064683.db2.gz ZJUARPMHCNFPIN-FQEVSTJZSA-N 2 2 389.503 3.939 20 0 GHADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)cc2)[nH+]c1C ZINC000921666322 855064689 /nfs/dbraw/zinc/06/46/89/855064689.db2.gz ZJUARPMHCNFPIN-FQEVSTJZSA-N 2 2 389.503 3.939 20 0 GHADLP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000590786520 855586877 /nfs/dbraw/zinc/58/68/77/855586877.db2.gz ZRVAREHQOIWTKX-OAHLLOKOSA-N 2 2 396.373 3.828 20 0 GHADLP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000590786520 855586882 /nfs/dbraw/zinc/58/68/82/855586882.db2.gz ZRVAREHQOIWTKX-OAHLLOKOSA-N 2 2 396.373 3.828 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000590851161 855613694 /nfs/dbraw/zinc/61/36/94/855613694.db2.gz GDBWLUNZVRLPKA-UGKGYDQZSA-N 2 2 395.551 3.662 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000590851161 855613699 /nfs/dbraw/zinc/61/36/99/855613699.db2.gz GDBWLUNZVRLPKA-UGKGYDQZSA-N 2 2 395.551 3.662 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)CC(C)C ZINC000107938125 855624329 /nfs/dbraw/zinc/62/43/29/855624329.db2.gz IVCGLRCQPVKLJC-HXUWFJFHSA-N 2 2 389.588 3.628 20 0 GHADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCn1cc[nH+]c1 ZINC000591159650 855801615 /nfs/dbraw/zinc/80/16/15/855801615.db2.gz VJYCJWPESRSRLM-UHFFFAOYSA-N 2 2 397.350 3.951 20 0 GHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@H]3CCCN(Cc4ccccc4)C3=O)C2)CC1 ZINC000760818356 855853295 /nfs/dbraw/zinc/85/32/95/855853295.db2.gz CCLYDTYEHXKTDF-GOTSBHOMSA-N 2 2 383.580 3.622 20 0 GHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@H]3CCCN(Cc4ccccc4)C3=O)C2)CC1 ZINC000760818356 855853298 /nfs/dbraw/zinc/85/32/98/855853298.db2.gz CCLYDTYEHXKTDF-GOTSBHOMSA-N 2 2 383.580 3.622 20 0 GHADLP Cc1ccc([C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C2CCC2)o1 ZINC000542666319 856006989 /nfs/dbraw/zinc/00/69/89/856006989.db2.gz LDAFOJBJJBNBOS-HSZRJFAPSA-N 2 2 384.520 3.930 20 0 GHADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc(-c4cccs4)on3)CC2)C[C@H](C)O1 ZINC000171307087 856085420 /nfs/dbraw/zinc/08/54/20/856085420.db2.gz WWYLUCNFNVWRIC-IYBDPMFKSA-N 2 2 375.538 3.724 20 0 GHADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(-c4cccs4)on3)CC2)C[C@H](C)O1 ZINC000171307087 856085427 /nfs/dbraw/zinc/08/54/27/856085427.db2.gz WWYLUCNFNVWRIC-IYBDPMFKSA-N 2 2 375.538 3.724 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc2c(c1)CCCC2 ZINC000156446447 856288728 /nfs/dbraw/zinc/28/87/28/856288728.db2.gz DUKFYTGSNZGOGX-FGSXEWAUSA-N 2 2 380.536 3.522 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc2c(c1)CCCC2 ZINC000156446447 856288733 /nfs/dbraw/zinc/28/87/33/856288733.db2.gz DUKFYTGSNZGOGX-FGSXEWAUSA-N 2 2 380.536 3.522 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000282310052 856290269 /nfs/dbraw/zinc/29/02/69/856290269.db2.gz DKPJZASZRFFVOH-YLJYHZDGSA-N 2 2 375.476 3.829 20 0 GHADLP COc1ccc([C@H]2C[C@@H](N(c3cc[nH+]cc3F)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168676535 856592919 /nfs/dbraw/zinc/59/29/19/856592919.db2.gz NOQLNVDLAWLGSU-PGRDOPGGSA-N 2 2 385.483 3.708 20 0 GHADLP CCN(C(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC000507898265 856647451 /nfs/dbraw/zinc/64/74/51/856647451.db2.gz XGQQZLSJYRBTGX-AVRDEDQJSA-N 2 2 376.504 3.972 20 0 GHADLP CCN(C(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC000507898265 856647456 /nfs/dbraw/zinc/64/74/56/856647456.db2.gz XGQQZLSJYRBTGX-AVRDEDQJSA-N 2 2 376.504 3.972 20 0 GHADLP O=C(Nc1ccccc1)C1([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000427968967 856950039 /nfs/dbraw/zinc/95/00/39/856950039.db2.gz VUPJHPXUGOKPCB-CEMLEFRQSA-N 2 2 375.516 3.658 20 0 GHADLP O=C(Nc1ccccc1)C1([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000427968967 856950053 /nfs/dbraw/zinc/95/00/53/856950053.db2.gz VUPJHPXUGOKPCB-CEMLEFRQSA-N 2 2 375.516 3.658 20 0 GHADLP O=C(Nc1ccccc1)C1([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000427968966 856950750 /nfs/dbraw/zinc/95/07/50/856950750.db2.gz VUPJHPXUGOKPCB-BAGYTPMASA-N 2 2 375.516 3.658 20 0 GHADLP O=C(Nc1ccccc1)C1([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000427968966 856950756 /nfs/dbraw/zinc/95/07/56/856950756.db2.gz VUPJHPXUGOKPCB-BAGYTPMASA-N 2 2 375.516 3.658 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000665254012 857025298 /nfs/dbraw/zinc/02/52/98/857025298.db2.gz FZZSITDSZYWUPR-JJEOQYAHSA-N 3 2 385.527 3.562 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000665254928 857042465 /nfs/dbraw/zinc/04/24/65/857042465.db2.gz CNQVLIWOZXYVOV-ZEQRLZLVSA-N 2 2 379.548 3.789 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000665255475 857107890 /nfs/dbraw/zinc/10/78/90/857107890.db2.gz UFKUQVCJGBHFPK-NDXORKPFSA-N 2 2 384.520 3.899 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246119895 857240456 /nfs/dbraw/zinc/24/04/56/857240456.db2.gz GVJJGNNNFYNFNL-ZNMIVQPWSA-N 2 2 386.367 3.833 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246119895 857240463 /nfs/dbraw/zinc/24/04/63/857240463.db2.gz GVJJGNNNFYNFNL-ZNMIVQPWSA-N 2 2 386.367 3.833 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246119895 857240468 /nfs/dbraw/zinc/24/04/68/857240468.db2.gz GVJJGNNNFYNFNL-ZNMIVQPWSA-N 2 2 386.367 3.833 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246119895 857240474 /nfs/dbraw/zinc/24/04/74/857240474.db2.gz GVJJGNNNFYNFNL-ZNMIVQPWSA-N 2 2 386.367 3.833 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624189537 862914617 /nfs/dbraw/zinc/91/46/17/862914617.db2.gz QRYJDOBTBAKRJT-RHSMWYFYSA-N 2 2 379.932 3.672 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624189537 862914628 /nfs/dbraw/zinc/91/46/28/862914628.db2.gz QRYJDOBTBAKRJT-RHSMWYFYSA-N 2 2 379.932 3.672 20 0 GHADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000675495524 857471376 /nfs/dbraw/zinc/47/13/76/857471376.db2.gz RBTMVBBCNYSSCI-OALUTQOASA-N 2 2 380.374 3.612 20 0 GHADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000675495524 857471379 /nfs/dbraw/zinc/47/13/79/857471379.db2.gz RBTMVBBCNYSSCI-OALUTQOASA-N 2 2 380.374 3.612 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624189536 862914960 /nfs/dbraw/zinc/91/49/60/862914960.db2.gz QRYJDOBTBAKRJT-PBHICJAKSA-N 2 2 379.932 3.672 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624189536 862914967 /nfs/dbraw/zinc/91/49/67/862914967.db2.gz QRYJDOBTBAKRJT-PBHICJAKSA-N 2 2 379.932 3.672 20 0 GHADLP CC(=O)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000907124388 857484122 /nfs/dbraw/zinc/48/41/22/857484122.db2.gz PSJQKUBKOVILNN-PKTZIBPZSA-N 2 2 399.579 3.607 20 0 GHADLP CC(=O)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000907124388 857484124 /nfs/dbraw/zinc/48/41/24/857484124.db2.gz PSJQKUBKOVILNN-PKTZIBPZSA-N 2 2 399.579 3.607 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000675532454 857486518 /nfs/dbraw/zinc/48/65/18/857486518.db2.gz ONXPHEPARNJSJP-LFUKPOHLSA-N 2 2 377.492 3.612 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000675532454 857486525 /nfs/dbraw/zinc/48/65/25/857486525.db2.gz ONXPHEPARNJSJP-LFUKPOHLSA-N 2 2 377.492 3.612 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000521063425 857574429 /nfs/dbraw/zinc/57/44/29/857574429.db2.gz UQIZCMXXPGUNAH-WIYYLYMNSA-N 2 2 390.487 3.598 20 0 GHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000521063425 857574435 /nfs/dbraw/zinc/57/44/35/857574435.db2.gz UQIZCMXXPGUNAH-WIYYLYMNSA-N 2 2 390.487 3.598 20 0 GHADLP COC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(C(F)(F)F)c1 ZINC000675883298 857660075 /nfs/dbraw/zinc/66/00/75/857660075.db2.gz ZJLZIEANUIZNAE-RBUKOAKNSA-N 2 2 386.458 3.626 20 0 GHADLP C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543062289 858144377 /nfs/dbraw/zinc/14/43/77/858144377.db2.gz RQCKUCWFLATBET-SFHVURJKSA-N 2 2 391.519 3.951 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC[NH+]3[C@H](C)CCC[C@H]3C)n2)C1 ZINC000521696070 858239170 /nfs/dbraw/zinc/23/91/70/858239170.db2.gz GXJWSWFLTGCOOL-BRWVUGGUSA-N 2 2 393.601 3.759 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC[NH+]3[C@H](C)CCC[C@H]3C)n2)C1 ZINC000521696070 858239175 /nfs/dbraw/zinc/23/91/75/858239175.db2.gz GXJWSWFLTGCOOL-BRWVUGGUSA-N 2 2 393.601 3.759 20 0 GHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@]4(C3)OCc3ccccc34)sc2C1 ZINC000482374370 863005545 /nfs/dbraw/zinc/00/55/45/863005545.db2.gz DCNILNRAPVJRNA-QFIPXVFZSA-N 2 2 383.561 3.931 20 0 GHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@]4(C3)OCc3ccccc34)sc2C1 ZINC000482374370 863005564 /nfs/dbraw/zinc/00/55/64/863005564.db2.gz DCNILNRAPVJRNA-QFIPXVFZSA-N 2 2 383.561 3.931 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@]4(C3)OCc3ccccc34)sc2C1 ZINC000482374370 863005575 /nfs/dbraw/zinc/00/55/75/863005575.db2.gz DCNILNRAPVJRNA-QFIPXVFZSA-N 2 2 383.561 3.931 20 0 GHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@]4(C3)OCc3ccccc34)sc2C1 ZINC000482374370 863005591 /nfs/dbraw/zinc/00/55/91/863005591.db2.gz DCNILNRAPVJRNA-QFIPXVFZSA-N 2 2 383.561 3.931 20 0 GHADLP CCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](CC)c1ccccc1 ZINC000521819272 858353516 /nfs/dbraw/zinc/35/35/16/858353516.db2.gz XVKQFRAKSAGUIE-QFIPXVFZSA-N 2 2 394.563 3.984 20 0 GHADLP CCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](CC)c1ccccc1 ZINC000521819272 858353521 /nfs/dbraw/zinc/35/35/21/858353521.db2.gz XVKQFRAKSAGUIE-QFIPXVFZSA-N 2 2 394.563 3.984 20 0 GHADLP CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)[NH+](C)C)cc1 ZINC000673219437 858423678 /nfs/dbraw/zinc/42/36/78/858423678.db2.gz QWJQGGVMJZZGPZ-FCHUYYIVSA-N 2 2 397.567 3.731 20 0 GHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@@H](C(C)(C)C)CC2)([NH+]2CCCCC2)CC1 ZINC000466142220 858464617 /nfs/dbraw/zinc/46/46/17/858464617.db2.gz PAIUSCKBUJBKNL-HXUWFJFHSA-N 2 2 392.632 3.795 20 0 GHADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(-c4c(F)cccc4F)o3)ccn2)CC1 ZINC000115612341 858588165 /nfs/dbraw/zinc/58/81/65/858588165.db2.gz LNLQRVFAHGAJMK-UHFFFAOYSA-N 2 2 398.457 3.661 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@@H]3Cc4cccc(Cl)c4C3)CC2)cc1 ZINC001168710416 858801202 /nfs/dbraw/zinc/80/12/02/858801202.db2.gz ZQXPBUVBXSOAER-HXUWFJFHSA-N 2 2 398.934 3.848 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc(C)cc3OC)cc2)CC1 ZINC000532193506 881377499 /nfs/dbraw/zinc/37/74/99/881377499.db2.gz ZLGOOAOJOSGDFO-HXUWFJFHSA-N 2 2 381.564 3.992 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000185659354 859113161 /nfs/dbraw/zinc/11/31/61/859113161.db2.gz GIXWFBZGLNLKIS-WOJBJXKFSA-N 2 2 387.549 3.567 20 0 GHADLP CN(C(=O)Cc1ccc(-c2ccccc2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472893 859284301 /nfs/dbraw/zinc/28/43/01/859284301.db2.gz ZIMLKWHONBDMFM-XMMPIXPASA-N 2 2 391.559 3.523 20 0 GHADLP CN(C(=O)Cc1ccc(-c2ccccc2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472893 859284311 /nfs/dbraw/zinc/28/43/11/859284311.db2.gz ZIMLKWHONBDMFM-XMMPIXPASA-N 2 2 391.559 3.523 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c(F)c1 ZINC000597223379 859375113 /nfs/dbraw/zinc/37/51/13/859375113.db2.gz WJGPCNMQTUDQGW-HXUWFJFHSA-N 2 2 382.479 3.899 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c(F)c1 ZINC000597223379 859375118 /nfs/dbraw/zinc/37/51/18/859375118.db2.gz WJGPCNMQTUDQGW-HXUWFJFHSA-N 2 2 382.479 3.899 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@@H]3Cc4cccc(Cl)c4C3)CC2)CC1 ZINC001168719720 859388135 /nfs/dbraw/zinc/38/81/35/859388135.db2.gz BSIGJLDIBVYMTB-LJQANCHMSA-N 2 2 390.955 3.547 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](c3ccccc3)C3CCCCC3)CC[C@@H]21 ZINC000483485112 859407657 /nfs/dbraw/zinc/40/76/57/859407657.db2.gz YZBMBILMQIYESD-AOHZBQACSA-N 2 2 383.580 3.840 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](c3ccccc3)C3CCCCC3)CC[C@@H]21 ZINC000483485112 859407665 /nfs/dbraw/zinc/40/76/65/859407665.db2.gz YZBMBILMQIYESD-AOHZBQACSA-N 2 2 383.580 3.840 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](c3ccccc3)C3CCCCC3)CC[C@@H]21 ZINC000483485112 859407674 /nfs/dbraw/zinc/40/76/74/859407674.db2.gz YZBMBILMQIYESD-AOHZBQACSA-N 2 2 383.580 3.840 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](c3ccccc3)C3CCCCC3)CC[C@@H]21 ZINC000483485112 859407679 /nfs/dbraw/zinc/40/76/79/859407679.db2.gz YZBMBILMQIYESD-AOHZBQACSA-N 2 2 383.580 3.840 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC000654501648 859419527 /nfs/dbraw/zinc/41/95/27/859419527.db2.gz FGVJFXIGDKEMRT-BHIFYINESA-N 2 2 395.551 3.557 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(C)c1 ZINC000654501648 859419536 /nfs/dbraw/zinc/41/95/36/859419536.db2.gz FGVJFXIGDKEMRT-BHIFYINESA-N 2 2 395.551 3.557 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3(c4ccccc4)CCCCC3)CC2)CC1 ZINC000114024525 859453522 /nfs/dbraw/zinc/45/35/22/859453522.db2.gz YWLZKXOGJLRLRC-UHFFFAOYSA-N 2 2 398.595 3.704 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000114177770 859471711 /nfs/dbraw/zinc/47/17/11/859471711.db2.gz IXQUQAINYIOGTB-GOSISDBHSA-N 2 2 394.544 3.884 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000114177770 859471716 /nfs/dbraw/zinc/47/17/16/859471716.db2.gz IXQUQAINYIOGTB-GOSISDBHSA-N 2 2 394.544 3.884 20 0 GHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671762683 859476722 /nfs/dbraw/zinc/47/67/22/859476722.db2.gz CFVJVQMSHCCMEH-QGLTVNCISA-N 2 2 383.414 3.989 20 0 GHADLP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117636161 859543429 /nfs/dbraw/zinc/54/34/29/859543429.db2.gz CITKFRARPDZKOC-UHFFFAOYSA-N 2 2 378.501 3.673 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@@H](C)C1 ZINC000483720676 859558782 /nfs/dbraw/zinc/55/87/82/859558782.db2.gz GLVWEFSYGKFXHH-BPBCIEFSSA-N 3 2 393.641 3.858 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@@H](C)C1 ZINC000483720676 859558788 /nfs/dbraw/zinc/55/87/88/859558788.db2.gz GLVWEFSYGKFXHH-BPBCIEFSSA-N 3 2 393.641 3.858 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@@H](C)C1 ZINC000483720676 859558798 /nfs/dbraw/zinc/55/87/98/859558798.db2.gz GLVWEFSYGKFXHH-BPBCIEFSSA-N 3 2 393.641 3.858 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@@H](C)C1 ZINC000483720676 859558802 /nfs/dbraw/zinc/55/88/02/859558802.db2.gz GLVWEFSYGKFXHH-BPBCIEFSSA-N 3 2 393.641 3.858 20 0 GHADLP C[NH+](C)C1(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)Cc2ccccc2C1 ZINC000483748518 859588457 /nfs/dbraw/zinc/58/84/57/859588457.db2.gz XGJVZYILWKUTBA-UHFFFAOYSA-N 2 2 389.543 3.508 20 0 GHADLP Fc1ccc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2cccnc2)cc1 ZINC000543405964 859610289 /nfs/dbraw/zinc/61/02/89/859610289.db2.gz BIBJTXZMGMTJOO-DEOSSOPVSA-N 2 2 391.490 3.932 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2cccc(-c3ccccc3)c2)CC1 ZINC000611409597 859744989 /nfs/dbraw/zinc/74/49/89/859744989.db2.gz BNQRCVUSMOKYLG-UHFFFAOYSA-N 2 2 380.532 3.903 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3nc4c5c3cccc5C(=O)c3ccccc3-4)CC[C@@H]21 ZINC000765104027 859788861 /nfs/dbraw/zinc/78/88/61/859788861.db2.gz DZHZOVSAINESKG-UZLBHIALSA-N 2 2 386.499 3.621 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3nc4c5c3cccc5C(=O)c3ccccc3-4)CC[C@@H]21 ZINC000765104027 859788871 /nfs/dbraw/zinc/78/88/71/859788871.db2.gz DZHZOVSAINESKG-UZLBHIALSA-N 2 2 386.499 3.621 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3nc4c5c3cccc5C(=O)c3ccccc3-4)CC[C@@H]21 ZINC000765104027 859788876 /nfs/dbraw/zinc/78/88/76/859788876.db2.gz DZHZOVSAINESKG-UZLBHIALSA-N 2 2 386.499 3.621 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3nc4c5c3cccc5C(=O)c3ccccc3-4)CC[C@@H]21 ZINC000765104027 859788880 /nfs/dbraw/zinc/78/88/80/859788880.db2.gz DZHZOVSAINESKG-UZLBHIALSA-N 2 2 386.499 3.621 20 0 GHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCSc4c(F)cccc43)cc2)CC1 ZINC000268855807 859810585 /nfs/dbraw/zinc/81/05/85/859810585.db2.gz XJZANNIZVZWEMG-HXUWFJFHSA-N 2 2 399.535 3.540 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000484126034 859815594 /nfs/dbraw/zinc/81/55/94/859815594.db2.gz CWZXAJIHNXFKOU-IOMROCGXSA-N 2 2 386.536 3.835 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000484126034 859815606 /nfs/dbraw/zinc/81/56/06/859815606.db2.gz CWZXAJIHNXFKOU-IOMROCGXSA-N 2 2 386.536 3.835 20 0 GHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000484161552 859854567 /nfs/dbraw/zinc/85/45/67/859854567.db2.gz NCOKXAKVJLFJJJ-JTSKRJEESA-N 2 2 390.474 3.884 20 0 GHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000484161552 859854573 /nfs/dbraw/zinc/85/45/73/859854573.db2.gz NCOKXAKVJLFJJJ-JTSKRJEESA-N 2 2 390.474 3.884 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000765254206 859872437 /nfs/dbraw/zinc/87/24/37/859872437.db2.gz XPJWZXVHEKQLKI-HUUCEWRRSA-N 2 2 387.446 3.766 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccnn1-c1ccccc1 ZINC000281283767 860210776 /nfs/dbraw/zinc/21/07/76/860210776.db2.gz QAKYLCSCHLIZEO-LJQANCHMSA-N 2 2 376.504 3.555 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCc3ccc(C4CC4)cc3)CC2)CC1 ZINC000896004656 860228607 /nfs/dbraw/zinc/22/86/07/860228607.db2.gz JRCNPIXCUIANPO-UHFFFAOYSA-N 2 2 383.580 3.562 20 0 GHADLP CN(C(=O)c1cc2c(o1)CCCC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001127906926 860244840 /nfs/dbraw/zinc/24/48/40/860244840.db2.gz WQNCNYSPWDVNHS-UXHICEINSA-N 2 2 387.568 3.568 20 0 GHADLP CN(C(=O)c1cc2c(o1)CCCC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001127906926 860244852 /nfs/dbraw/zinc/24/48/52/860244852.db2.gz WQNCNYSPWDVNHS-UXHICEINSA-N 2 2 387.568 3.568 20 0 GHADLP O=C(NC1CC1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000025702467 860411976 /nfs/dbraw/zinc/41/19/76/860411976.db2.gz QAQRUHMTNDKVSP-QHCPKHFHSA-N 2 2 377.532 3.782 20 0 GHADLP COc1cccc(N2CC[C@@H]([NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)C2)c1 ZINC000765693887 860417848 /nfs/dbraw/zinc/41/78/48/860417848.db2.gz OLSVBDITDLZCKN-HXUWFJFHSA-N 2 2 394.563 3.599 20 0 GHADLP [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000904449130 860452581 /nfs/dbraw/zinc/45/25/81/860452581.db2.gz FFSICADDJZNGGP-VGOFRKELSA-N 2 2 379.508 3.622 20 0 GHADLP c1sc(-c2ccccn2)nc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904471397 860464651 /nfs/dbraw/zinc/46/46/51/860464651.db2.gz ANUSAXFIYTYCDS-WIYYLYMNSA-N 2 2 378.501 3.551 20 0 GHADLP Cc1cn(C(C)(C)C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c[nH+]1 ZINC000896222859 860539036 /nfs/dbraw/zinc/53/90/36/860539036.db2.gz PSPSBOWXJOBQBA-UHFFFAOYSA-N 2 2 388.943 3.608 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000904640604 860540271 /nfs/dbraw/zinc/54/02/71/860540271.db2.gz PSHVNVBXHAOMEP-HKUYNNGSSA-N 2 2 392.425 3.520 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000904640604 860540278 /nfs/dbraw/zinc/54/02/78/860540278.db2.gz PSHVNVBXHAOMEP-HKUYNNGSSA-N 2 2 392.425 3.520 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000904639616 860540456 /nfs/dbraw/zinc/54/04/56/860540456.db2.gz JUYTZBIWZWGYPM-RBUKOAKNSA-N 2 2 390.890 3.895 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000904639616 860540462 /nfs/dbraw/zinc/54/04/62/860540462.db2.gz JUYTZBIWZWGYPM-RBUKOAKNSA-N 2 2 390.890 3.895 20 0 GHADLP COc1c(C)c[nH+]c(CN2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1C ZINC000856598908 881572180 /nfs/dbraw/zinc/57/21/80/881572180.db2.gz CSSQOJZZESCHOJ-NRFANRHFSA-N 2 2 398.551 3.596 20 0 GHADLP COc1c(C)c[nH+]c(CN2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1C ZINC000856598908 881572194 /nfs/dbraw/zinc/57/21/94/881572194.db2.gz CSSQOJZZESCHOJ-NRFANRHFSA-N 2 2 398.551 3.596 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1C ZINC000598969664 860696596 /nfs/dbraw/zinc/69/65/96/860696596.db2.gz FZWZSLROJNKXAX-QGZVFWFLSA-N 2 2 384.524 3.518 20 0 GHADLP O=C(NCCCCC[NH+]1CCCCC1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000532252848 881575838 /nfs/dbraw/zinc/57/58/38/881575838.db2.gz HXPWJGDBZHEFAN-RAXLEYEMSA-N 2 2 398.595 3.683 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)CCc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1 ZINC000192913449 861015986 /nfs/dbraw/zinc/01/59/86/861015986.db2.gz CEYUVRZWOFUNBS-SFHVURJKSA-N 2 2 396.457 3.571 20 0 GHADLP C[C@H]1CCc2c(sc3nc(C[NH+]4CCC(c5[nH]cc[nH+]5)CC4)nc(N)c32)C1 ZINC000329153674 861074223 /nfs/dbraw/zinc/07/42/23/861074223.db2.gz UHEPDQLBHZNJGK-LBPRGKRZSA-N 2 2 382.537 3.501 20 0 GHADLP CC(=O)[C@H](C)CCCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000555509904 861109109 /nfs/dbraw/zinc/10/91/09/861109109.db2.gz HPGOMVZJJUTJGJ-QIJUGHKUSA-N 2 2 393.616 3.568 20 0 GHADLP CC(=O)[C@H](C)CCCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000555509904 861109119 /nfs/dbraw/zinc/10/91/19/861109119.db2.gz HPGOMVZJJUTJGJ-QIJUGHKUSA-N 2 2 393.616 3.568 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000600160621 861135978 /nfs/dbraw/zinc/13/59/78/861135978.db2.gz FGTURKPIXBMKFH-HXUWFJFHSA-N 2 2 381.520 3.650 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000600160621 861135989 /nfs/dbraw/zinc/13/59/89/861135989.db2.gz FGTURKPIXBMKFH-HXUWFJFHSA-N 2 2 381.520 3.650 20 0 GHADLP COc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c(OCc2cccnc2)c1 ZINC000443995667 863103426 /nfs/dbraw/zinc/10/34/26/863103426.db2.gz OGISKYLQRCYQGS-FQEVSTJZSA-N 2 2 392.503 3.841 20 0 GHADLP CC(C)c1ccc([C@H](C)CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000606370601 863565480 /nfs/dbraw/zinc/56/54/80/863565480.db2.gz NJYNQTVRSJJEBA-AUSIDOKSSA-N 2 2 385.596 3.931 20 0 GHADLP CC(C)c1ccc([C@H](C)CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000606370601 863565491 /nfs/dbraw/zinc/56/54/91/863565491.db2.gz NJYNQTVRSJJEBA-AUSIDOKSSA-N 2 2 385.596 3.931 20 0 GHADLP CC[C@H](CNC(=O)Nc1ccc2[nH+]c(C)cn2c1)[N@@H+]1CCc2ccccc2C1 ZINC000606569684 863711583 /nfs/dbraw/zinc/71/15/83/863711583.db2.gz OBDRYZYKCMQJTH-HXUWFJFHSA-N 2 2 377.492 3.601 20 0 GHADLP CC[C@H](CNC(=O)Nc1ccc2[nH+]c(C)cn2c1)[N@H+]1CCc2ccccc2C1 ZINC000606569684 863711591 /nfs/dbraw/zinc/71/15/91/863711591.db2.gz OBDRYZYKCMQJTH-HXUWFJFHSA-N 2 2 377.492 3.601 20 0 GHADLP COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000158979763 864002720 /nfs/dbraw/zinc/00/27/20/864002720.db2.gz ONSLIOYVESSXOK-PKOBYXMFSA-N 2 2 392.503 3.819 20 0 GHADLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(Cl)c1Cl ZINC000159134734 864041084 /nfs/dbraw/zinc/04/10/84/864041084.db2.gz DJYNOYCWHVTECD-AWEZNQCLSA-N 2 2 379.335 3.991 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]Cc3nccc4ccccc43)CC2)cc1 ZINC000607166251 864127216 /nfs/dbraw/zinc/12/72/16/864127216.db2.gz AMAZCETWHPIFLA-UHFFFAOYSA-N 2 2 388.559 3.922 20 0 GHADLP Cc1c[nH+]ccc1N1CC[NH+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056940 864363026 /nfs/dbraw/zinc/36/30/26/864363026.db2.gz KFDDHTPQZLEEND-SFTDATJTSA-N 3 2 378.564 3.954 20 0 GHADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000163578084 864537416 /nfs/dbraw/zinc/53/74/16/864537416.db2.gz SPEHEGYINUTNKH-RDPSFJRHSA-N 3 2 380.580 3.924 20 0 GHADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000163578084 864537427 /nfs/dbraw/zinc/53/74/27/864537427.db2.gz SPEHEGYINUTNKH-RDPSFJRHSA-N 3 2 380.580 3.924 20 0 GHADLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cnn(C2CCCC2)c1 ZINC000554561275 864551123 /nfs/dbraw/zinc/55/11/23/864551123.db2.gz XCGDEJODOPCJQY-WMZHIEFXSA-N 2 2 381.568 3.638 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(OC(F)F)c1 ZINC000163713981 864556108 /nfs/dbraw/zinc/55/61/08/864556108.db2.gz FLOMAHVWZRJISR-MRXNPFEDSA-N 2 2 376.447 3.971 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(CCCc1ccccc1)CC[NH+](C)C)C2 ZINC000475318661 864748186 /nfs/dbraw/zinc/74/81/86/864748186.db2.gz QYZNIWODLARWMN-HXUWFJFHSA-N 2 2 396.579 3.661 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(CCCc1ccccc1)CC[NH+](C)C)CC2 ZINC000475318661 864748190 /nfs/dbraw/zinc/74/81/90/864748190.db2.gz QYZNIWODLARWMN-HXUWFJFHSA-N 2 2 396.579 3.661 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)CC(C)C ZINC000622085483 864760402 /nfs/dbraw/zinc/76/04/02/864760402.db2.gz BMHBWHHAMVGQIJ-GOSISDBHSA-N 2 2 378.561 3.605 20 0 GHADLP COc1ccc2c(c1)C[C@H]([NH2+]C1CC([NH+]3CCC(C(F)(F)F)CC3)C1)CC2 ZINC000475354392 864841745 /nfs/dbraw/zinc/84/17/45/864841745.db2.gz YUXXHPFRJKOSSY-LMDPOFIKSA-N 2 2 382.470 3.947 20 0 GHADLP COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000608073017 864963777 /nfs/dbraw/zinc/96/37/77/864963777.db2.gz MCQJVWVNJFMJDJ-INIZCTEOSA-N 2 2 396.491 3.536 20 0 GHADLP COc1cccnc1N1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168064200 864974836 /nfs/dbraw/zinc/97/48/36/864974836.db2.gz OWRJFRFVHXAOLL-VTYHHJSWSA-N 2 2 394.563 3.654 20 0 GHADLP COc1cccnc1N1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168064200 864974843 /nfs/dbraw/zinc/97/48/43/864974843.db2.gz OWRJFRFVHXAOLL-VTYHHJSWSA-N 2 2 394.563 3.654 20 0 GHADLP CC(=O)c1cccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000554841618 865030651 /nfs/dbraw/zinc/03/06/51/865030651.db2.gz KERPFWSCGKQMSH-QFIPXVFZSA-N 2 2 393.531 3.718 20 0 GHADLP CC(=O)c1cccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000554841618 865030656 /nfs/dbraw/zinc/03/06/56/865030656.db2.gz KERPFWSCGKQMSH-QFIPXVFZSA-N 2 2 393.531 3.718 20 0 GHADLP Fc1ccc(Cn2cc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)cn2)cc1 ZINC000554861649 865031913 /nfs/dbraw/zinc/03/19/13/865031913.db2.gz QYOAKPJEPNIXDE-UHFFFAOYSA-N 2 2 375.451 3.605 20 0 GHADLP Cc1nc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)nc2ccccc12 ZINC000532358456 881835294 /nfs/dbraw/zinc/83/52/94/881835294.db2.gz DAEAMYCCRPMDMU-UHFFFAOYSA-N 2 2 389.547 3.758 20 0 GHADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000480748688 865191708 /nfs/dbraw/zinc/19/17/08/865191708.db2.gz LTEMNWOUXTZRRC-DNVCBOLYSA-N 2 2 391.357 3.534 20 0 GHADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000480748688 865191710 /nfs/dbraw/zinc/19/17/10/865191710.db2.gz LTEMNWOUXTZRRC-DNVCBOLYSA-N 2 2 391.357 3.534 20 0 GHADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1cccc(N2CCOCC2)c1 ZINC000480752557 865200708 /nfs/dbraw/zinc/20/07/08/865200708.db2.gz ZIZXUWUWDUEBIQ-LJQANCHMSA-N 2 2 389.609 3.535 20 0 GHADLP COc1ccc([C@H](CNc2cc[nH+]c3cc(F)ccc23)[NH+]2CCOCC2)cc1 ZINC000301285178 865263010 /nfs/dbraw/zinc/26/30/10/865263010.db2.gz RFWZGDMPPUMKAM-QFIPXVFZSA-N 2 2 381.451 3.868 20 0 GHADLP Cc1ccc([C@H](C)N(C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000074767288 881862433 /nfs/dbraw/zinc/86/24/33/881862433.db2.gz OMUYKVUWDJGZBB-FQEVSTJZSA-N 2 2 386.584 3.648 20 0 GHADLP C[NH+](C)C1CC[NH+](CCNc2nc(C3CC3)nc3sc4c(c32)CCCC4)CC1 ZINC000301529293 865405468 /nfs/dbraw/zinc/40/54/68/865405468.db2.gz KMESRCTXWRFOAO-UHFFFAOYSA-N 2 2 399.608 3.885 20 0 GHADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)cc1 ZINC000480888489 865441911 /nfs/dbraw/zinc/44/19/11/865441911.db2.gz YIRUNWTXVAVQQS-GBXCKJPGSA-N 2 2 390.531 3.905 20 0 GHADLP Cc1cc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)c2cc(F)ccc2[nH+]1 ZINC000301659396 865480651 /nfs/dbraw/zinc/48/06/51/865480651.db2.gz IVAKXYFBYHSBQB-UHFFFAOYSA-N 2 2 375.451 3.652 20 0 GHADLP CC(C)Sc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172752401 865694193 /nfs/dbraw/zinc/69/41/93/865694193.db2.gz WXUWRTHBXZKOAX-UHFFFAOYSA-N 2 2 389.609 3.867 20 0 GHADLP CCN1CC[NH+](C[C@@H](C)CNc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000302654092 865866932 /nfs/dbraw/zinc/86/69/32/865866932.db2.gz KJXMRFMFJABVEI-HNNXBMFYSA-N 2 2 391.357 3.683 20 0 GHADLP Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481166167 865906699 /nfs/dbraw/zinc/90/66/99/865906699.db2.gz CJONPMBOTYICOZ-AWRGLXIESA-N 2 2 393.575 3.542 20 0 GHADLP Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481166167 865906707 /nfs/dbraw/zinc/90/67/07/865906707.db2.gz CJONPMBOTYICOZ-AWRGLXIESA-N 2 2 393.575 3.542 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+][C@@H]3CCC[C@H](C)[C@H]3C)n2)CC1 ZINC000481167210 865908276 /nfs/dbraw/zinc/90/82/76/865908276.db2.gz APDRTWOQBAOCAC-LZLYRXPVSA-N 2 2 378.586 3.728 20 0 GHADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000175008858 865964449 /nfs/dbraw/zinc/96/44/49/865964449.db2.gz IFRVBIQHZDYNPP-HOTGVXAUSA-N 2 2 377.330 3.802 20 0 GHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481190051 865972644 /nfs/dbraw/zinc/97/26/44/865972644.db2.gz LEDHABZGJLDXEM-KGVIQGDOSA-N 2 2 381.520 3.522 20 0 GHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481190051 865972650 /nfs/dbraw/zinc/97/26/50/865972650.db2.gz LEDHABZGJLDXEM-KGVIQGDOSA-N 2 2 381.520 3.522 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)c1ccccc1Cl ZINC000448642102 865990333 /nfs/dbraw/zinc/99/03/33/865990333.db2.gz ZTYVKAQVVFJKTE-FQEVSTJZSA-N 2 2 397.910 3.734 20 0 GHADLP CC[NH+]1CCC(CCNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000153210028 866262234 /nfs/dbraw/zinc/26/22/34/866262234.db2.gz YINLDSJIWBBFHT-FGZHOGPDSA-N 2 2 395.551 3.533 20 0 GHADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000552870524 866356954 /nfs/dbraw/zinc/35/69/54/866356954.db2.gz LMSFVWQRWFGIRB-LJQANCHMSA-N 2 2 380.492 3.637 20 0 GHADLP CC[C@H](NC(=S)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccs1 ZINC000741874900 866871781 /nfs/dbraw/zinc/87/17/81/866871781.db2.gz SKBAFSPSOFYQSQ-KRWDZBQOSA-N 2 2 394.654 3.614 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cc2c(cc1Br)OCCO2 ZINC000444623045 866977997 /nfs/dbraw/zinc/97/79/97/866977997.db2.gz RNKQAULEJBMTNT-AWEZNQCLSA-N 2 2 383.330 3.747 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)[C@H](C)C1CCCCC1 ZINC000544425171 882033454 /nfs/dbraw/zinc/03/34/54/882033454.db2.gz QLDMWOGLHMBZOH-JKSUJKDBSA-N 2 2 378.586 3.872 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000444789162 867250783 /nfs/dbraw/zinc/25/07/83/867250783.db2.gz CHGAMASNIADVJP-HXUWFJFHSA-N 2 2 377.960 3.856 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000444789162 867250802 /nfs/dbraw/zinc/25/08/02/867250802.db2.gz CHGAMASNIADVJP-HXUWFJFHSA-N 2 2 377.960 3.856 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNc1nc(N2CCCC2)cc[nH+]1 ZINC000742411303 867277454 /nfs/dbraw/zinc/27/74/54/867277454.db2.gz OISMMOFTJRWKSX-UHFFFAOYSA-N 2 2 377.492 3.914 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1nc(N2CCCC2)cc[nH+]1 ZINC000742411303 867277466 /nfs/dbraw/zinc/27/74/66/867277466.db2.gz OISMMOFTJRWKSX-UHFFFAOYSA-N 2 2 377.492 3.914 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1cccc(OC)c1 ZINC000523419739 867288800 /nfs/dbraw/zinc/28/88/00/867288800.db2.gz RVJZYRLTJXIADE-HXUWFJFHSA-N 2 2 395.507 3.856 20 0 GHADLP C/C(=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000857162908 882069726 /nfs/dbraw/zinc/06/97/26/882069726.db2.gz RVVDZPSDYLSQOL-SPMIMHQFSA-N 2 2 389.609 3.947 20 0 GHADLP C/C(=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000857162908 882069738 /nfs/dbraw/zinc/06/97/38/882069738.db2.gz RVVDZPSDYLSQOL-SPMIMHQFSA-N 2 2 389.609 3.947 20 0 GHADLP COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000154407731 867395209 /nfs/dbraw/zinc/39/52/09/867395209.db2.gz AQPQDLSGNKDMPZ-QGZVFWFLSA-N 2 2 394.313 3.580 20 0 GHADLP COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000154407731 867395224 /nfs/dbraw/zinc/39/52/24/867395224.db2.gz AQPQDLSGNKDMPZ-QGZVFWFLSA-N 2 2 394.313 3.580 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000553465532 867498427 /nfs/dbraw/zinc/49/84/27/867498427.db2.gz FCFRWQRFTZLWMA-FCHUYYIVSA-N 2 2 388.515 3.713 20 0 GHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000553465532 867498439 /nfs/dbraw/zinc/49/84/39/867498439.db2.gz FCFRWQRFTZLWMA-FCHUYYIVSA-N 2 2 388.515 3.713 20 0 GHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000523593844 867618360 /nfs/dbraw/zinc/61/83/60/867618360.db2.gz PJRWDXWGWJZWJN-RXVVDRJESA-N 2 2 389.503 3.507 20 0 GHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000523593844 867618370 /nfs/dbraw/zinc/61/83/70/867618370.db2.gz PJRWDXWGWJZWJN-RXVVDRJESA-N 2 2 389.503 3.507 20 0 GHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534861772 867661346 /nfs/dbraw/zinc/66/13/46/867661346.db2.gz AOSVSFMOXKMIHM-SJLPKXTDSA-N 2 2 384.549 3.772 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc2ccccc2o1 ZINC000155185559 867793506 /nfs/dbraw/zinc/79/35/06/867793506.db2.gz FKZMWUWZGWLSPC-GOSISDBHSA-N 2 2 380.488 3.995 20 0 GHADLP C[C@@H](c1cccc(O)c1)[NH+](C)CC1(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)COC1 ZINC000157975908 868818453 /nfs/dbraw/zinc/81/84/53/868818453.db2.gz VIWYQRRBEZSWLO-ROUUACIJSA-N 2 2 384.520 3.800 20 0 GHADLP C[C@@H](c1cccc(O)c1)[NH+](C)CC1(C[N@H+](C)[C@@H](C)c2cccc(O)c2)COC1 ZINC000157975908 868818461 /nfs/dbraw/zinc/81/84/61/868818461.db2.gz VIWYQRRBEZSWLO-ROUUACIJSA-N 2 2 384.520 3.800 20 0 GHADLP O=C1[C@@H](CCc2ccccc2)CCN1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000793510358 882231587 /nfs/dbraw/zinc/23/15/87/882231587.db2.gz AUCHUAYANJQJKJ-QHCPKHFHSA-N 2 2 394.563 3.814 20 0 GHADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000158442834 868949471 /nfs/dbraw/zinc/94/94/71/868949471.db2.gz YMGVDAMSSXGGBV-AWEZNQCLSA-N 2 2 379.335 3.991 20 0 GHADLP CC[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000539449784 869157847 /nfs/dbraw/zinc/15/78/47/869157847.db2.gz XEPLQSLPQCAOAE-IBGZPJMESA-N 2 2 391.357 3.805 20 0 GHADLP CCCOc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1OC ZINC000428430559 869346971 /nfs/dbraw/zinc/34/69/71/869346971.db2.gz IESBZIOSQUNPPE-DEOSSOPVSA-N 2 2 398.547 3.553 20 0 GHADLP CCCOc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1OC ZINC000428430559 869346976 /nfs/dbraw/zinc/34/69/76/869346976.db2.gz IESBZIOSQUNPPE-DEOSSOPVSA-N 2 2 398.547 3.553 20 0 GHADLP CCCOc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000428430559 869346982 /nfs/dbraw/zinc/34/69/82/869346982.db2.gz IESBZIOSQUNPPE-DEOSSOPVSA-N 2 2 398.547 3.553 20 0 GHADLP CCCOc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000428430559 869346987 /nfs/dbraw/zinc/34/69/87/869346987.db2.gz IESBZIOSQUNPPE-DEOSSOPVSA-N 2 2 398.547 3.553 20 0 GHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000524756421 869530209 /nfs/dbraw/zinc/53/02/09/869530209.db2.gz IUBLYWAAPLOYTQ-OAQYLSRUSA-N 2 2 389.559 3.903 20 0 GHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000524756421 869530216 /nfs/dbraw/zinc/53/02/16/869530216.db2.gz IUBLYWAAPLOYTQ-OAQYLSRUSA-N 2 2 389.559 3.903 20 0 GHADLP CC(C)[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000539658760 869546935 /nfs/dbraw/zinc/54/69/35/869546935.db2.gz HDLZBTSWCYYDDX-LAUBAEHRSA-N 2 2 395.507 3.878 20 0 GHADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000133646255 882319412 /nfs/dbraw/zinc/31/94/12/882319412.db2.gz IMLQAVDGHNPRKK-UHIISALHSA-N 2 2 377.273 3.869 20 0 GHADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000133646255 882319425 /nfs/dbraw/zinc/31/94/25/882319425.db2.gz IMLQAVDGHNPRKK-UHIISALHSA-N 2 2 377.273 3.869 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)CC2)cc1 ZINC000462800101 870115998 /nfs/dbraw/zinc/11/59/98/870115998.db2.gz CFLIBGBEEJQUAO-CCDWMCETSA-N 2 2 399.623 3.769 20 0 GHADLP CNC(=O)c1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000248005343 870258968 /nfs/dbraw/zinc/25/89/68/870258968.db2.gz KTPONHIVKGSGMF-XZOQPEGZSA-N 2 2 377.532 3.533 20 0 GHADLP CNC(=O)c1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000248005343 870258988 /nfs/dbraw/zinc/25/89/88/870258988.db2.gz KTPONHIVKGSGMF-XZOQPEGZSA-N 2 2 377.532 3.533 20 0 GHADLP CNC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000248005343 870259008 /nfs/dbraw/zinc/25/90/08/870259008.db2.gz KTPONHIVKGSGMF-XZOQPEGZSA-N 2 2 377.532 3.533 20 0 GHADLP CNC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000248005343 870259025 /nfs/dbraw/zinc/25/90/25/870259025.db2.gz KTPONHIVKGSGMF-XZOQPEGZSA-N 2 2 377.532 3.533 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnn(CC(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000538732958 870473992 /nfs/dbraw/zinc/47/39/92/870473992.db2.gz GCRQCYJRHGMQJA-APWZRJJASA-N 2 2 380.458 3.930 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnn(CC(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000538732958 870474016 /nfs/dbraw/zinc/47/40/16/870474016.db2.gz GCRQCYJRHGMQJA-APWZRJJASA-N 2 2 380.458 3.930 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnn(CC(F)(F)F)c2)CC[NH+]1Cc1ccccc1 ZINC000538732958 870474045 /nfs/dbraw/zinc/47/40/45/870474045.db2.gz GCRQCYJRHGMQJA-APWZRJJASA-N 2 2 380.458 3.930 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnn(CC(F)(F)F)c2)CC[NH+]1Cc1ccccc1 ZINC000538732958 870474425 /nfs/dbraw/zinc/47/44/25/870474425.db2.gz GCRQCYJRHGMQJA-APWZRJJASA-N 2 2 380.458 3.930 20 0 GHADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cnc(-c4cccs4)s3)CC2)CC1 ZINC000538763196 870606256 /nfs/dbraw/zinc/60/62/56/870606256.db2.gz MYOYUZCFUFDPTA-UHFFFAOYSA-N 2 2 390.622 3.862 20 0 GHADLP COc1ccc([C@@H](C)[NH+](C)CC(O)C[N@@H+](C)[C@H](C)c2ccc(OC)cc2)cc1 ZINC000248744107 870617416 /nfs/dbraw/zinc/61/74/16/870617416.db2.gz RIKHPZRHZHMYDM-QZTJIDSGSA-N 2 2 386.536 3.751 20 0 GHADLP COc1ccc([C@@H](C)[NH+](C)CC(O)C[N@H+](C)[C@H](C)c2ccc(OC)cc2)cc1 ZINC000248744107 870617420 /nfs/dbraw/zinc/61/74/20/870617420.db2.gz RIKHPZRHZHMYDM-QZTJIDSGSA-N 2 2 386.536 3.751 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000540150765 870630988 /nfs/dbraw/zinc/63/09/88/870630988.db2.gz IXJZWXGDVQTTSN-IRXDYDNUSA-N 2 2 378.520 3.843 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000446978554 870801022 /nfs/dbraw/zinc/80/10/22/870801022.db2.gz YCNRVBRGVMFONO-RHSMWYFYSA-N 2 2 379.932 3.672 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000446978554 870801026 /nfs/dbraw/zinc/80/10/26/870801026.db2.gz YCNRVBRGVMFONO-RHSMWYFYSA-N 2 2 379.932 3.672 20 0 GHADLP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540248401 870808838 /nfs/dbraw/zinc/80/88/38/870808838.db2.gz RUVDDEDUWPFRFI-KSZLIROESA-N 2 2 393.572 3.623 20 0 GHADLP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540248401 870808847 /nfs/dbraw/zinc/80/88/47/870808847.db2.gz RUVDDEDUWPFRFI-KSZLIROESA-N 2 2 393.572 3.623 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2Cl)[C@@H](C)C1 ZINC000249440067 870834744 /nfs/dbraw/zinc/83/47/44/870834744.db2.gz LUKRUDPJQXRTMY-HKUYNNGSSA-N 2 2 395.975 3.622 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2Cl)[C@@H](C)C1 ZINC000249440067 870834758 /nfs/dbraw/zinc/83/47/58/870834758.db2.gz LUKRUDPJQXRTMY-HKUYNNGSSA-N 2 2 395.975 3.622 20 0 GHADLP C[NH+](C)C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000552026744 870840030 /nfs/dbraw/zinc/84/00/30/870840030.db2.gz AQCOSHCGFFMEDE-SFHVURJKSA-N 2 2 382.895 3.601 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463134447 870979335 /nfs/dbraw/zinc/97/93/35/870979335.db2.gz ZLQKGKYZVYNSMD-BWKNWUBXSA-N 2 2 393.575 3.662 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463134447 870979342 /nfs/dbraw/zinc/97/93/42/870979342.db2.gz ZLQKGKYZVYNSMD-BWKNWUBXSA-N 2 2 393.575 3.662 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463134447 870979350 /nfs/dbraw/zinc/97/93/50/870979350.db2.gz ZLQKGKYZVYNSMD-BWKNWUBXSA-N 3 2 393.575 3.662 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463134447 870979358 /nfs/dbraw/zinc/97/93/58/870979358.db2.gz ZLQKGKYZVYNSMD-BWKNWUBXSA-N 3 2 393.575 3.662 20 0 GHADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[C@@H]1c1ccccc1 ZINC000525638075 871124286 /nfs/dbraw/zinc/12/42/86/871124286.db2.gz RLWIGQWZGLEFEM-KNQAVFIVSA-N 2 2 397.588 3.518 20 0 GHADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[C@@H]1c1ccccc1 ZINC000525638075 871124303 /nfs/dbraw/zinc/12/43/03/871124303.db2.gz RLWIGQWZGLEFEM-KNQAVFIVSA-N 2 2 397.588 3.518 20 0 GHADLP CC1(C)[C@@H](C(F)(F)F)CC[NH+]1C[C@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000447263842 871283333 /nfs/dbraw/zinc/28/33/33/871283333.db2.gz KNGCUZLUISYSOT-XYYAHUGASA-N 2 2 390.412 3.673 20 0 GHADLP CC1(C)[C@@H](C(F)(F)F)CC[NH+]1C[C@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000447263842 871283350 /nfs/dbraw/zinc/28/33/50/871283350.db2.gz KNGCUZLUISYSOT-XYYAHUGASA-N 2 2 390.412 3.673 20 0 GHADLP CC1(C)[C@H](C(F)(F)F)CC[NH+]1C[C@@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000447263842 871283366 /nfs/dbraw/zinc/28/33/66/871283366.db2.gz KNGCUZLUISYSOT-XYYAHUGASA-N 2 2 390.412 3.673 20 0 GHADLP CC1(C)[C@H](C(F)(F)F)CC[NH+]1C[C@@H](O)C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000447263842 871283381 /nfs/dbraw/zinc/28/33/81/871283381.db2.gz KNGCUZLUISYSOT-XYYAHUGASA-N 2 2 390.412 3.673 20 0 GHADLP CC[NH+](CC)Cc1csc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000920972710 882494704 /nfs/dbraw/zinc/49/47/04/882494704.db2.gz NMQIONPRMVJUFQ-UHFFFAOYSA-N 2 2 386.565 3.836 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2cccnc2Cl)CC1 ZINC000103143110 871334978 /nfs/dbraw/zinc/33/49/78/871334978.db2.gz CCLXGEBBPHOLFU-UHFFFAOYSA-N 2 2 386.927 3.518 20 0 GHADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2cccnc2Cl)CC1 ZINC000103143110 871334999 /nfs/dbraw/zinc/33/49/99/871334999.db2.gz CCLXGEBBPHOLFU-UHFFFAOYSA-N 2 2 386.927 3.518 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181753217 871461150 /nfs/dbraw/zinc/46/11/50/871461150.db2.gz JKXCUSVGZIKHDN-OAQYLSRUSA-N 2 2 398.551 3.512 20 0 GHADLP Clc1cc(CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc2c1OCCCO2 ZINC000540548841 871548733 /nfs/dbraw/zinc/54/87/33/871548733.db2.gz IGCHKXGXEQAFIO-GOSISDBHSA-N 2 2 378.944 3.994 20 0 GHADLP Clc1cc(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc2c1OCCCO2 ZINC000540548841 871548742 /nfs/dbraw/zinc/54/87/42/871548742.db2.gz IGCHKXGXEQAFIO-GOSISDBHSA-N 2 2 378.944 3.994 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2F)[C@H](C)C1 ZINC000115628928 882557531 /nfs/dbraw/zinc/55/75/31/882557531.db2.gz XZFVQCPJTVURIQ-RDTXWAMCSA-N 2 2 387.337 3.815 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2F)[C@H](C)C1 ZINC000115628928 882557547 /nfs/dbraw/zinc/55/75/47/882557547.db2.gz XZFVQCPJTVURIQ-RDTXWAMCSA-N 2 2 387.337 3.815 20 0 GHADLP CC[N@@H+](Cc1ccc(-n2cncn2)c(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564612 872273381 /nfs/dbraw/zinc/27/33/81/872273381.db2.gz PBVWMYXYFITUPT-UHFFFAOYSA-N 2 2 390.535 3.709 20 0 GHADLP CC[N@H+](Cc1ccc(-n2cncn2)c(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564612 872273395 /nfs/dbraw/zinc/27/33/95/872273395.db2.gz PBVWMYXYFITUPT-UHFFFAOYSA-N 2 2 390.535 3.709 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1OCc1ccncc1 ZINC000093683443 872339662 /nfs/dbraw/zinc/33/96/62/872339662.db2.gz LUJONMCBFBOZDL-QFIPXVFZSA-N 2 2 395.547 3.977 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1OCc1ccncc1 ZINC000093683443 872339682 /nfs/dbraw/zinc/33/96/82/872339682.db2.gz LUJONMCBFBOZDL-QFIPXVFZSA-N 2 2 395.547 3.977 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OCc1cccnc1 ZINC000093683734 872340841 /nfs/dbraw/zinc/34/08/41/872340841.db2.gz WCWAYHWOKZECTB-QFIPXVFZSA-N 2 2 395.547 3.977 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OCc1cccnc1 ZINC000093683734 872340861 /nfs/dbraw/zinc/34/08/61/872340861.db2.gz WCWAYHWOKZECTB-QFIPXVFZSA-N 2 2 395.547 3.977 20 0 GHADLP Cc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c2ccccc2)cc1 ZINC000552339842 872497474 /nfs/dbraw/zinc/49/74/74/872497474.db2.gz FQPPVMDNPHBXDL-KYLYQBOTSA-N 2 2 391.559 3.758 20 0 GHADLP Cc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c2ccccc2)cc1 ZINC000552339842 872497477 /nfs/dbraw/zinc/49/74/77/872497477.db2.gz FQPPVMDNPHBXDL-KYLYQBOTSA-N 2 2 391.559 3.758 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541191886 873089772 /nfs/dbraw/zinc/08/97/72/873089772.db2.gz OZMZDAINXYMNAW-FQEVSTJZSA-N 2 2 389.588 3.740 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541191886 873089792 /nfs/dbraw/zinc/08/97/92/873089792.db2.gz OZMZDAINXYMNAW-FQEVSTJZSA-N 2 2 389.588 3.740 20 0 GHADLP C[C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000541186376 873112926 /nfs/dbraw/zinc/11/29/26/873112926.db2.gz ZGBYZZNXRIIVTQ-HXUWFJFHSA-N 2 2 397.567 3.605 20 0 GHADLP C[C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000541186376 873112941 /nfs/dbraw/zinc/11/29/41/873112941.db2.gz ZGBYZZNXRIIVTQ-HXUWFJFHSA-N 2 2 397.567 3.605 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768201689 873137555 /nfs/dbraw/zinc/13/75/55/873137555.db2.gz UOELBLYNYDYTBJ-KRWDZBQOSA-N 2 2 384.524 3.998 20 0 GHADLP Cc1cc(Br)c(C[NH2+]CCCn2cc[nH+]c2)cc1Br ZINC000527630122 873380629 /nfs/dbraw/zinc/38/06/29/873380629.db2.gz WACLLXUVIIZMCP-UHFFFAOYSA-N 2 2 387.119 3.896 20 0 GHADLP CC(C)Oc1cc(Cl)c(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1Cl ZINC000527646386 873397619 /nfs/dbraw/zinc/39/76/19/873397619.db2.gz WIRPOYFHKOQSPV-UHFFFAOYSA-N 2 2 375.340 3.717 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(F)c(Br)cc1F ZINC000527899384 873734741 /nfs/dbraw/zinc/73/47/41/873734741.db2.gz VGVCNMXKRZBBKE-OLZOCXBDSA-N 2 2 391.300 3.879 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(F)c(Br)cc1F ZINC000527899384 873734749 /nfs/dbraw/zinc/73/47/49/873734749.db2.gz VGVCNMXKRZBBKE-OLZOCXBDSA-N 2 2 391.300 3.879 20 0 GHADLP Cc1cc(Br)cn2c(CN3CC[C@@H](C[N@H+](C)CC4CC4)C3)c[nH+]c12 ZINC000541535545 873823977 /nfs/dbraw/zinc/82/39/77/873823977.db2.gz FIWOPOXRWFETEQ-INIZCTEOSA-N 2 2 391.357 3.569 20 0 GHADLP Cc1cc(Br)cn2c(CN3CC[C@@H](C[N@@H+](C)CC4CC4)C3)c[nH+]c12 ZINC000541535545 873823988 /nfs/dbraw/zinc/82/39/88/873823988.db2.gz FIWOPOXRWFETEQ-INIZCTEOSA-N 2 2 391.357 3.569 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](c3ccccc3)c3ccc(F)cn3)[nH+]c2)C1 ZINC000541568438 873876689 /nfs/dbraw/zinc/87/66/89/873876689.db2.gz RMQMWYQWUJIFDI-OFNKIYASSA-N 2 2 391.494 3.958 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccccc2)cs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599234 873918860 /nfs/dbraw/zinc/91/88/60/873918860.db2.gz CIYREHDGKNLRTE-WMZOPIPTSA-N 2 2 398.576 3.991 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccccc2)cs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599234 873918865 /nfs/dbraw/zinc/91/88/65/873918865.db2.gz CIYREHDGKNLRTE-WMZOPIPTSA-N 2 2 398.576 3.991 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2nc3ccc(F)cc3o2)cc1 ZINC001198006711 874158951 /nfs/dbraw/zinc/15/89/51/874158951.db2.gz DJEOWYHOGWTCNM-UHFFFAOYSA-N 2 2 384.455 3.603 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2nc3ccc(F)cc3o2)cc1 ZINC001198006711 874158953 /nfs/dbraw/zinc/15/89/53/874158953.db2.gz DJEOWYHOGWTCNM-UHFFFAOYSA-N 2 2 384.455 3.603 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NCc2ccccc2C2CC2)cc1 ZINC001198030120 874188436 /nfs/dbraw/zinc/18/84/36/874188436.db2.gz HXURNKMYDNCAKX-UHFFFAOYSA-N 2 2 379.548 3.878 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NCc2ccccc2C2CC2)cc1 ZINC001198030120 874188447 /nfs/dbraw/zinc/18/84/47/874188447.db2.gz HXURNKMYDNCAKX-UHFFFAOYSA-N 2 2 379.548 3.878 20 0 GHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccnn1C1CCCC1 ZINC000449037798 874381255 /nfs/dbraw/zinc/38/12/55/874381255.db2.gz PAXLGKKMVILXPU-UHFFFAOYSA-N 3 2 387.616 3.626 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccnn1C1CCCC1 ZINC000449037798 874381269 /nfs/dbraw/zinc/38/12/69/874381269.db2.gz PAXLGKKMVILXPU-UHFFFAOYSA-N 3 2 387.616 3.626 20 0 GHADLP COc1cc2ccccc2cc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000449062779 874400454 /nfs/dbraw/zinc/40/04/54/874400454.db2.gz MSKKEGRLKXPBQK-UHFFFAOYSA-N 2 2 376.500 3.970 20 0 GHADLP Clc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCOC4(CCC4)C3)CC2)c1 ZINC000449129013 874513509 /nfs/dbraw/zinc/51/35/09/874513509.db2.gz UMNMWIKBTQVQNA-LJQANCHMSA-N 2 2 377.960 3.543 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000528398181 874515211 /nfs/dbraw/zinc/51/52/11/874515211.db2.gz UBOZGILCLNCAOR-YPAWHYETSA-N 2 2 394.563 3.910 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000528398181 874515215 /nfs/dbraw/zinc/51/52/15/874515215.db2.gz UBOZGILCLNCAOR-YPAWHYETSA-N 2 2 394.563 3.910 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449111834 874522065 /nfs/dbraw/zinc/52/20/65/874522065.db2.gz OIHHWIAZGYEMFH-SXLOBPIMSA-N 2 2 377.960 3.508 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449111834 874522076 /nfs/dbraw/zinc/52/20/76/874522076.db2.gz OIHHWIAZGYEMFH-SXLOBPIMSA-N 2 2 377.960 3.508 20 0 GHADLP CCOC(=O)c1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)[nH]c1C ZINC000449182163 874575455 /nfs/dbraw/zinc/57/54/55/874575455.db2.gz AWSUUTPQESLLDT-OAQYLSRUSA-N 2 2 380.492 3.844 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(O)c3)o2)C1 ZINC001198791254 874619842 /nfs/dbraw/zinc/61/98/42/874619842.db2.gz UKAXVHGRPHERGJ-MRXNPFEDSA-N 2 2 381.480 3.773 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(O)c3)o2)C1 ZINC001198791254 874619844 /nfs/dbraw/zinc/61/98/44/874619844.db2.gz UKAXVHGRPHERGJ-MRXNPFEDSA-N 2 2 381.480 3.773 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000449271064 874658048 /nfs/dbraw/zinc/65/80/48/874658048.db2.gz FIIVJGNLIMDYPV-UHFFFAOYSA-N 2 2 386.627 3.920 20 0 GHADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccncc2OCC(F)F)CC1 ZINC000449306700 874694197 /nfs/dbraw/zinc/69/41/97/874694197.db2.gz XGZUFDUBLDYZAN-KRWDZBQOSA-N 2 2 389.490 3.911 20 0 GHADLP O=C1[C@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCCN1c1cccc(F)c1 ZINC000542132232 875031019 /nfs/dbraw/zinc/03/10/19/875031019.db2.gz QARCXRQIBXFISW-OAQYLSRUSA-N 2 2 384.499 3.710 20 0 GHADLP Cc1ccc([C@@H](NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C2CC2)cc1 ZINC000542135681 875034639 /nfs/dbraw/zinc/03/46/39/875034639.db2.gz WFDDMCNVSVUAEW-XMMPIXPASA-N 2 2 394.563 3.951 20 0 GHADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542165494 875066767 /nfs/dbraw/zinc/06/67/67/875066767.db2.gz DZDWVXOROPRQKM-QFIPXVFZSA-N 2 2 380.536 3.567 20 0 GHADLP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542165494 875066772 /nfs/dbraw/zinc/06/67/72/875066772.db2.gz DZDWVXOROPRQKM-QFIPXVFZSA-N 2 2 380.536 3.567 20 0 GHADLP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475733129 882912036 /nfs/dbraw/zinc/91/20/36/882912036.db2.gz RWFYQFPZUJDBLF-ZCYQVOJMSA-N 2 2 391.559 3.804 20 0 GHADLP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475733129 882912057 /nfs/dbraw/zinc/91/20/57/882912057.db2.gz RWFYQFPZUJDBLF-ZCYQVOJMSA-N 2 2 391.559 3.804 20 0 GHADLP CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475733129 882912075 /nfs/dbraw/zinc/91/20/75/882912075.db2.gz RWFYQFPZUJDBLF-ZCYQVOJMSA-N 2 2 391.559 3.804 20 0 GHADLP CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475733129 882912090 /nfs/dbraw/zinc/91/20/90/882912090.db2.gz RWFYQFPZUJDBLF-ZCYQVOJMSA-N 2 2 391.559 3.804 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2F)CC1(C)C ZINC000858185022 882918731 /nfs/dbraw/zinc/91/87/31/882918731.db2.gz ZIMRWYSCOGQMAC-KRWDZBQOSA-N 2 2 379.520 3.813 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2F)CC1(C)C ZINC000858185022 882918744 /nfs/dbraw/zinc/91/87/44/882918744.db2.gz ZIMRWYSCOGQMAC-KRWDZBQOSA-N 2 2 379.520 3.813 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000449776717 875378965 /nfs/dbraw/zinc/37/89/65/875378965.db2.gz TYRYYWDNKSWKON-PXNSSMCTSA-N 2 2 378.944 3.983 20 0 GHADLP CCCC[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CCC1 ZINC000465280675 875419813 /nfs/dbraw/zinc/41/98/13/875419813.db2.gz AWKIYNYMKIXXBU-FQEVSTJZSA-N 2 2 378.605 3.595 20 0 GHADLP c1ccc(C[NH+]2CCN(CC[NH2+][C@H](c3ccccc3)c3ccccn3)CC2)cc1 ZINC000491342930 875536363 /nfs/dbraw/zinc/53/63/63/875536363.db2.gz LNDYPJAVHRKXIR-RUZDIDTESA-N 2 2 386.543 3.578 20 0 GHADLP FC(F)(F)c1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc(C(F)(F)F)c1 ZINC000771945037 875565250 /nfs/dbraw/zinc/56/52/50/875565250.db2.gz FKFIIJSKTVAALU-GJZGRUSLSA-N 2 2 382.348 3.677 20 0 GHADLP FC(F)(F)c1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc(C(F)(F)F)c1 ZINC000771945037 875565260 /nfs/dbraw/zinc/56/52/60/875565260.db2.gz FKFIIJSKTVAALU-GJZGRUSLSA-N 2 2 382.348 3.677 20 0 GHADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC001201415985 875678944 /nfs/dbraw/zinc/67/89/44/875678944.db2.gz ITFCCPKVLYDAPN-SJORKVTESA-N 2 2 387.749 3.570 20 0 GHADLP Cc1nc(C2CC2)ccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450354202 876318784 /nfs/dbraw/zinc/31/87/84/876318784.db2.gz KAFITGKXPQSYPZ-PKTZIBPZSA-N 2 2 398.595 3.677 20 0 GHADLP Cc1nc(C2CC2)ccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450354202 876318797 /nfs/dbraw/zinc/31/87/97/876318797.db2.gz KAFITGKXPQSYPZ-PKTZIBPZSA-N 2 2 398.595 3.677 20 0 GHADLP C[C@H](c1cnn(C)c1)[NH+](C)Cc1cc(C[N@@H+](C)[C@H](C)c2cnn(C)c2)ccc1F ZINC000450699274 876792967 /nfs/dbraw/zinc/79/29/67/876792967.db2.gz KNIQHAHCKCFSHM-IAGOWNOFSA-N 2 2 398.530 3.679 20 0 GHADLP C[C@H](c1cnn(C)c1)[NH+](C)Cc1cc(C[N@H+](C)[C@H](C)c2cnn(C)c2)ccc1F ZINC000450699274 876792984 /nfs/dbraw/zinc/79/29/84/876792984.db2.gz KNIQHAHCKCFSHM-IAGOWNOFSA-N 2 2 398.530 3.679 20 0 GHADLP C[C@H](c1cnn(C)c1)[NH+](C)Cc1ccc(F)c(C[N@H+](C)[C@H](C)c2cnn(C)c2)c1 ZINC000450699274 876793004 /nfs/dbraw/zinc/79/30/04/876793004.db2.gz KNIQHAHCKCFSHM-IAGOWNOFSA-N 2 2 398.530 3.679 20 0 GHADLP C[C@H](c1cnn(C)c1)[NH+](C)Cc1ccc(F)c(C[N@@H+](C)[C@H](C)c2cnn(C)c2)c1 ZINC000450699274 876793022 /nfs/dbraw/zinc/79/30/22/876793022.db2.gz KNIQHAHCKCFSHM-IAGOWNOFSA-N 2 2 398.530 3.679 20 0 GHADLP COc1c(C)cc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000796691425 876904400 /nfs/dbraw/zinc/90/44/00/876904400.db2.gz BYJXIVRCIZLVPG-OXQOHEQNSA-N 2 2 388.939 3.727 20 0 GHADLP COc1c(C)cc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000796691425 876904408 /nfs/dbraw/zinc/90/44/08/876904408.db2.gz BYJXIVRCIZLVPG-OXQOHEQNSA-N 2 2 388.939 3.727 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1Cl ZINC000850514386 876984927 /nfs/dbraw/zinc/98/49/27/876984927.db2.gz TUFBSQLRIMDBQO-REPLKXPHSA-N 2 2 399.922 3.807 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1Cl ZINC000850514386 876984937 /nfs/dbraw/zinc/98/49/37/876984937.db2.gz TUFBSQLRIMDBQO-REPLKXPHSA-N 2 2 399.922 3.807 20 0 GHADLP CC[N@@H+](CC(=O)Nc1cc(F)ccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395635 877004996 /nfs/dbraw/zinc/00/49/96/877004996.db2.gz IWSDVOJKCJPDMO-UHFFFAOYSA-N 2 2 388.462 3.537 20 0 GHADLP CC[N@H+](CC(=O)Nc1cc(F)ccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395635 877005009 /nfs/dbraw/zinc/00/50/09/877005009.db2.gz IWSDVOJKCJPDMO-UHFFFAOYSA-N 2 2 388.462 3.537 20 0 GHADLP CC[N@H+](CCC(=O)N1CCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394496 877005791 /nfs/dbraw/zinc/00/57/91/877005791.db2.gz MQERDZUJQURXAF-UHFFFAOYSA-N 2 2 392.547 3.599 20 0 GHADLP CC[N@@H+](CCC(=O)N1CCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394496 877005806 /nfs/dbraw/zinc/00/58/06/877005806.db2.gz MQERDZUJQURXAF-UHFFFAOYSA-N 2 2 392.547 3.599 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000530289634 877453032 /nfs/dbraw/zinc/45/30/32/877453032.db2.gz DTYWHFZHTKDPFR-UHFFFAOYSA-N 2 2 398.457 3.900 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC001183121094 912264049 /nfs/dbraw/zinc/26/40/49/912264049.db2.gz DCIHMNXNSHMSDQ-UHFFFAOYSA-N 2 2 396.531 3.773 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]12 ZINC000248624282 912285240 /nfs/dbraw/zinc/28/52/40/912285240.db2.gz UNVLEPCJSIJPAN-MISYRCLQSA-N 2 2 382.508 3.607 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]12 ZINC000248624282 912285259 /nfs/dbraw/zinc/28/52/59/912285259.db2.gz UNVLEPCJSIJPAN-MISYRCLQSA-N 2 2 382.508 3.607 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1)C2 ZINC000551895008 877975709 /nfs/dbraw/zinc/97/57/09/877975709.db2.gz WZWOWWKTZPHWNJ-NNMXDRDESA-N 2 2 394.563 3.837 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1)C2 ZINC000551895008 877975717 /nfs/dbraw/zinc/97/57/17/877975717.db2.gz WZWOWWKTZPHWNJ-NNMXDRDESA-N 2 2 394.563 3.837 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1)CC2 ZINC000551895008 877975727 /nfs/dbraw/zinc/97/57/27/877975727.db2.gz WZWOWWKTZPHWNJ-NNMXDRDESA-N 2 2 394.563 3.837 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1)CC2 ZINC000551895008 877975730 /nfs/dbraw/zinc/97/57/30/877975730.db2.gz WZWOWWKTZPHWNJ-NNMXDRDESA-N 2 2 394.563 3.837 20 0 GHADLP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451473621 878020854 /nfs/dbraw/zinc/02/08/54/878020854.db2.gz WPQQOQXQICXNLP-WIYYLYMNSA-N 2 2 384.568 3.723 20 0 GHADLP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000451473621 878020873 /nfs/dbraw/zinc/02/08/73/878020873.db2.gz WPQQOQXQICXNLP-WIYYLYMNSA-N 2 2 384.568 3.723 20 0 GHADLP CCOC(=O)c1csc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000615728022 878047355 /nfs/dbraw/zinc/04/73/55/878047355.db2.gz WGFGGOIRQXEHMH-KRWDZBQOSA-N 2 2 387.549 3.505 20 0 GHADLP CCOC(=O)c1csc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000615728022 878047376 /nfs/dbraw/zinc/04/73/76/878047376.db2.gz WGFGGOIRQXEHMH-KRWDZBQOSA-N 2 2 387.549 3.505 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000451525621 878088995 /nfs/dbraw/zinc/08/89/95/878088995.db2.gz GKODTEALKLUIKB-GCJKJVERSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000451525621 878089007 /nfs/dbraw/zinc/08/90/07/878089007.db2.gz GKODTEALKLUIKB-GCJKJVERSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000451525621 878089028 /nfs/dbraw/zinc/08/90/28/878089028.db2.gz GKODTEALKLUIKB-GCJKJVERSA-N 2 2 389.971 3.594 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000451525621 878089046 /nfs/dbraw/zinc/08/90/46/878089046.db2.gz GKODTEALKLUIKB-GCJKJVERSA-N 2 2 389.971 3.594 20 0 GHADLP CCOCN(C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1c(C)cccc1CC ZINC000788485443 878094615 /nfs/dbraw/zinc/09/46/15/878094615.db2.gz KQIASJSKUZGCRH-NQIIRXRSSA-N 2 2 398.551 3.664 20 0 GHADLP CCOCN(C(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1c(C)cccc1CC ZINC000788485443 878094640 /nfs/dbraw/zinc/09/46/40/878094640.db2.gz KQIASJSKUZGCRH-NQIIRXRSSA-N 2 2 398.551 3.664 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000245567016 878118530 /nfs/dbraw/zinc/11/85/30/878118530.db2.gz FIZXTQLKYYSYAW-YLJYHZDGSA-N 2 2 386.515 3.732 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000245567016 878118532 /nfs/dbraw/zinc/11/85/32/878118532.db2.gz FIZXTQLKYYSYAW-YLJYHZDGSA-N 2 2 386.515 3.732 20 0 GHADLP CN(C(=O)c1ccc(F)c(Cl)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245724860 878473073 /nfs/dbraw/zinc/47/30/73/878473073.db2.gz QRCKVTWFWZPWMV-WOJBJXKFSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1ccc(F)c(Cl)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245724860 878473077 /nfs/dbraw/zinc/47/30/77/878473077.db2.gz QRCKVTWFWZPWMV-WOJBJXKFSA-N 2 2 395.950 3.888 20 0 GHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000177488134 878728274 /nfs/dbraw/zinc/72/82/74/878728274.db2.gz UGXPGDRAAOYBIN-SFHVURJKSA-N 2 2 383.536 3.646 20 0 GHADLP O[C@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(F)cc1Cl ZINC000789359393 878891566 /nfs/dbraw/zinc/89/15/66/878891566.db2.gz YYIOTNNIKRDGIE-LJQANCHMSA-N 2 2 377.891 3.925 20 0 GHADLP CCC(CC)(C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O)[NH2+][C@H](C)c1ccccc1 ZINC000246046055 878891799 /nfs/dbraw/zinc/89/17/99/878891799.db2.gz OSJYYHGYOQEDOJ-RLLQIKCJSA-N 2 2 380.598 3.841 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000122510324 879038377 /nfs/dbraw/zinc/03/83/77/879038377.db2.gz GBGKSSJMJAAJLP-JPYJTQIMSA-N 2 2 392.547 3.820 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000122510324 879038394 /nfs/dbraw/zinc/03/83/94/879038394.db2.gz GBGKSSJMJAAJLP-JPYJTQIMSA-N 2 2 392.547 3.820 20 0 GHADLP CCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)s1 ZINC000552017019 879073580 /nfs/dbraw/zinc/07/35/80/879073580.db2.gz IPSOCKGRDOETRW-IBGZPJMESA-N 2 2 384.593 3.740 20 0 GHADLP CCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)s1 ZINC000552017019 879073592 /nfs/dbraw/zinc/07/35/92/879073592.db2.gz IPSOCKGRDOETRW-IBGZPJMESA-N 2 2 384.593 3.740 20 0 GHADLP CCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)s1 ZINC000552017020 879074065 /nfs/dbraw/zinc/07/40/65/879074065.db2.gz IPSOCKGRDOETRW-LJQANCHMSA-N 2 2 384.593 3.740 20 0 GHADLP CCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)s1 ZINC000552017020 879074093 /nfs/dbraw/zinc/07/40/93/879074093.db2.gz IPSOCKGRDOETRW-LJQANCHMSA-N 2 2 384.593 3.740 20 0 GHADLP Cc1cccn2cc(COc3ccc(C[NH2+]C[C@@H](C)Cn4cc[nH+]c4)cc3)nc12 ZINC000068840028 879089182 /nfs/dbraw/zinc/08/91/82/879089182.db2.gz MYFQEUOYXGGBBV-GOSISDBHSA-N 2 2 389.503 3.844 20 0 GHADLP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000531142327 879230099 /nfs/dbraw/zinc/23/00/99/879230099.db2.gz YTLZYTGTKGYIPT-UHFFFAOYSA-N 2 2 391.427 3.704 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000246265579 879314017 /nfs/dbraw/zinc/31/40/17/879314017.db2.gz AGKSXKVZECSFQW-QUCCMNQESA-N 2 2 385.552 3.804 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000246265579 879314035 /nfs/dbraw/zinc/31/40/35/879314035.db2.gz AGKSXKVZECSFQW-QUCCMNQESA-N 2 2 385.552 3.804 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000246265579 879314048 /nfs/dbraw/zinc/31/40/48/879314048.db2.gz AGKSXKVZECSFQW-QUCCMNQESA-N 2 2 385.552 3.804 20 0 GHADLP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000246265579 879314066 /nfs/dbraw/zinc/31/40/66/879314066.db2.gz AGKSXKVZECSFQW-QUCCMNQESA-N 2 2 385.552 3.804 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000246459150 879581923 /nfs/dbraw/zinc/58/19/23/879581923.db2.gz FHKKKHLKKNAJEO-ANJVHQHFSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000246459150 879581929 /nfs/dbraw/zinc/58/19/29/879581929.db2.gz FHKKKHLKKNAJEO-ANJVHQHFSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000246459150 879581938 /nfs/dbraw/zinc/58/19/38/879581938.db2.gz FHKKKHLKKNAJEO-ANJVHQHFSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000246459150 879581949 /nfs/dbraw/zinc/58/19/49/879581949.db2.gz FHKKKHLKKNAJEO-ANJVHQHFSA-N 2 2 391.559 3.966 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000854222759 879640409 /nfs/dbraw/zinc/64/04/09/879640409.db2.gz LPBZPRVUBOTJOY-YHDCXSKOSA-N 2 2 378.607 3.500 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(N2CCCOC2=O)cc1 ZINC000854225227 879643252 /nfs/dbraw/zinc/64/32/52/879643252.db2.gz ZLEKXHMAUDFFPA-KNXBSLHKSA-N 2 2 397.494 3.969 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CCN(c4ccc(F)cc4)C3)CC2)cc1 ZINC000152798328 879730497 /nfs/dbraw/zinc/73/04/97/879730497.db2.gz DFOBAQYDAQGEDN-IBGZPJMESA-N 2 2 396.554 3.977 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000246924929 879851047 /nfs/dbraw/zinc/85/10/47/879851047.db2.gz NBYQIWWCEKLWBL-PMVMPFDFSA-N 2 2 399.579 3.555 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000246924929 879851063 /nfs/dbraw/zinc/85/10/63/879851063.db2.gz NBYQIWWCEKLWBL-PMVMPFDFSA-N 2 2 399.579 3.555 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000246924929 879851083 /nfs/dbraw/zinc/85/10/83/879851083.db2.gz NBYQIWWCEKLWBL-PMVMPFDFSA-N 2 2 399.579 3.555 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000246924929 879851093 /nfs/dbraw/zinc/85/10/93/879851093.db2.gz NBYQIWWCEKLWBL-PMVMPFDFSA-N 2 2 399.579 3.555 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000246992882 879875855 /nfs/dbraw/zinc/87/58/55/879875855.db2.gz JLSYDCPOXBQGLY-NQSCKRDGSA-N 2 2 384.955 3.814 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000246992882 879875868 /nfs/dbraw/zinc/87/58/68/879875868.db2.gz JLSYDCPOXBQGLY-NQSCKRDGSA-N 2 2 384.955 3.814 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@@H](C)C1 ZINC000247129699 879927353 /nfs/dbraw/zinc/92/73/53/879927353.db2.gz ARLKAQDNAWXVSY-YYDVJCTNSA-N 3 2 384.568 3.968 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@@H](C)C1 ZINC000247129699 879927358 /nfs/dbraw/zinc/92/73/58/879927358.db2.gz ARLKAQDNAWXVSY-YYDVJCTNSA-N 3 2 384.568 3.968 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H](C)c1nc2ccccc2s1 ZINC000247180276 879937611 /nfs/dbraw/zinc/93/76/11/879937611.db2.gz VCOQIGWLHBVJTI-ABSDTBQOSA-N 2 2 395.572 3.797 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H](C)c1nc2ccccc2s1 ZINC000247180276 879937616 /nfs/dbraw/zinc/93/76/16/879937616.db2.gz VCOQIGWLHBVJTI-ABSDTBQOSA-N 2 2 395.572 3.797 20 0 GHADLP C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247431744 879997638 /nfs/dbraw/zinc/99/76/38/879997638.db2.gz LEKZSFMAQWPXQF-UBBRYJJRSA-N 2 2 395.551 3.531 20 0 GHADLP C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[N@H+]1CCC[C@@H](C)C1 ZINC000247431744 879997651 /nfs/dbraw/zinc/99/76/51/879997651.db2.gz LEKZSFMAQWPXQF-UBBRYJJRSA-N 2 2 395.551 3.531 20 0 GHADLP CC(C)c1ccccc1NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182982181 880047239 /nfs/dbraw/zinc/04/72/39/880047239.db2.gz OCJRZWNIPRDDKT-UHFFFAOYSA-N 2 2 387.568 3.573 20 0 GHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2nnc(C(C)(C)C)s2)CC1 ZINC000531564721 880120380 /nfs/dbraw/zinc/12/03/80/880120380.db2.gz SYHFGQFWGFAJPU-UHFFFAOYSA-N 2 2 387.597 3.657 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000184750519 880373345 /nfs/dbraw/zinc/37/33/45/880373345.db2.gz MQCWPMVHEQSYNS-IRXDYDNUSA-N 2 2 398.551 3.657 20 0 GHADLP c1c(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)[nH+]c2n1CCCC2 ZINC000453083166 880439762 /nfs/dbraw/zinc/43/97/62/880439762.db2.gz MXOTZRWAYDEFSF-VJBWXMMDSA-N 3 2 378.564 3.795 20 0 GHADLP c1c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)[nH+]c2n1CCCC2 ZINC000453083166 880439771 /nfs/dbraw/zinc/43/97/71/880439771.db2.gz MXOTZRWAYDEFSF-VJBWXMMDSA-N 3 2 378.564 3.795 20 0 GHADLP COC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000453321648 880792459 /nfs/dbraw/zinc/79/24/59/880792459.db2.gz ONPDSDPKNCXQPW-JLMWRMLUSA-N 2 2 387.955 3.965 20 0 GHADLP COC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000453321648 880792466 /nfs/dbraw/zinc/79/24/66/880792466.db2.gz ONPDSDPKNCXQPW-JLMWRMLUSA-N 2 2 387.955 3.965 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000429526077 880850824 /nfs/dbraw/zinc/85/08/24/880850824.db2.gz GBJGDDDVNBFIRL-RBBKRZOGSA-N 2 2 387.568 3.555 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000429526077 880850837 /nfs/dbraw/zinc/85/08/37/880850837.db2.gz GBJGDDDVNBFIRL-RBBKRZOGSA-N 2 2 387.568 3.555 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000792260680 881022721 /nfs/dbraw/zinc/02/27/21/881022721.db2.gz PAYRJMMPGUNBKV-JOCHJYFZSA-N 2 2 384.524 3.964 20 0 GHADLP CC[C@@H]1C[C@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)CCO1 ZINC001170190015 881200445 /nfs/dbraw/zinc/20/04/45/881200445.db2.gz DFNACWBOFCVYEA-FCEUIQTBSA-N 2 2 392.503 3.675 20 0 GHADLP C[N@H+](CCCc1ccc2c(c1)CCO2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000193242380 883185069 /nfs/dbraw/zinc/18/50/69/883185069.db2.gz LECHDBOXINUBCW-UHFFFAOYSA-N 2 2 379.548 3.588 20 0 GHADLP C[N@@H+](CCCc1ccc2c(c1)CCO2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000193242380 883185076 /nfs/dbraw/zinc/18/50/76/883185076.db2.gz LECHDBOXINUBCW-UHFFFAOYSA-N 2 2 379.548 3.588 20 0 GHADLP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000263217833 883189660 /nfs/dbraw/zinc/18/96/60/883189660.db2.gz LEWCKNPQFXAQOV-IIBYNOLFSA-N 2 2 384.549 3.548 20 0 GHADLP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000263217833 883189667 /nfs/dbraw/zinc/18/96/67/883189667.db2.gz LEWCKNPQFXAQOV-IIBYNOLFSA-N 2 2 384.549 3.548 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N(CC(C)(C)C)CC(C)(C)C)CC2)CC1 ZINC000183557347 883270180 /nfs/dbraw/zinc/27/01/80/883270180.db2.gz MXDFRKUJTZSPGR-UHFFFAOYSA-N 2 2 380.621 3.649 20 0 GHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000551273446 883586664 /nfs/dbraw/zinc/58/66/64/883586664.db2.gz ZIEIJGPRZZVETP-YKSBVNFPSA-N 2 2 389.543 3.863 20 0 GHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000551273446 883586671 /nfs/dbraw/zinc/58/66/71/883586671.db2.gz ZIEIJGPRZZVETP-YKSBVNFPSA-N 2 2 389.543 3.863 20 0 GHADLP CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000859294464 883724148 /nfs/dbraw/zinc/72/41/48/883724148.db2.gz NEHYNAVQFJQBQM-SFHVURJKSA-N 2 2 388.556 3.656 20 0 GHADLP CC(C)(C)OC(=O)N1CC(CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000859294464 883724155 /nfs/dbraw/zinc/72/41/55/883724155.db2.gz NEHYNAVQFJQBQM-SFHVURJKSA-N 2 2 388.556 3.656 20 0 GHADLP COc1ccc2c(c1)C[C@H]([NH+]1CC(c3[nH+]cn4cc(Br)ccc34)C1)C2 ZINC001168282280 884152114 /nfs/dbraw/zinc/15/21/14/884152114.db2.gz JPWHENNEMCIVHJ-QGZVFWFLSA-N 2 2 398.304 3.672 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000498378366 884222746 /nfs/dbraw/zinc/22/27/46/884222746.db2.gz PXBXLDDWURRUCV-HNAYVOBHSA-N 2 2 394.441 3.560 20 0 GHADLP C[N@H+]1CCC[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000498378366 884222763 /nfs/dbraw/zinc/22/27/63/884222763.db2.gz PXBXLDDWURRUCV-HNAYVOBHSA-N 2 2 394.441 3.560 20 0 GHADLP C[N@@H+]1CCC[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000498378367 884223052 /nfs/dbraw/zinc/22/30/52/884223052.db2.gz PXBXLDDWURRUCV-KXBFYZLASA-N 2 2 394.441 3.560 20 0 GHADLP C[N@H+]1CCC[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000498378367 884223068 /nfs/dbraw/zinc/22/30/68/884223068.db2.gz PXBXLDDWURRUCV-KXBFYZLASA-N 2 2 394.441 3.560 20 0 GHADLP CC[C@@H]1C[C@@H]([N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496723 884302714 /nfs/dbraw/zinc/30/27/14/884302714.db2.gz LCHCAVMDUFBETH-KNJMJIDISA-N 2 2 379.589 3.969 20 0 GHADLP CC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496723 884302730 /nfs/dbraw/zinc/30/27/30/884302730.db2.gz LCHCAVMDUFBETH-KNJMJIDISA-N 2 2 379.589 3.969 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496723 884302750 /nfs/dbraw/zinc/30/27/50/884302750.db2.gz LCHCAVMDUFBETH-KNJMJIDISA-N 2 2 379.589 3.969 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496723 884302768 /nfs/dbraw/zinc/30/27/68/884302768.db2.gz LCHCAVMDUFBETH-KNJMJIDISA-N 2 2 379.589 3.969 20 0 GHADLP COc1cccc([C@@H](O)C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000860138857 884357103 /nfs/dbraw/zinc/35/71/03/884357103.db2.gz NTERZCMLLVSPTA-QHCPKHFHSA-N 2 2 377.488 3.827 20 0 GHADLP O=C(NCCCCNc1cccc[nH+]1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000729607380 884714671 /nfs/dbraw/zinc/71/46/71/884714671.db2.gz PJJXZBPYOLWAMT-UHFFFAOYSA-N 2 2 387.572 3.618 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC001183951459 912921338 /nfs/dbraw/zinc/92/13/38/912921338.db2.gz YZEIUKMZZZWZDU-QFIPXVFZSA-N 2 2 397.523 3.633 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC001183951459 912921343 /nfs/dbraw/zinc/92/13/43/912921343.db2.gz YZEIUKMZZZWZDU-QFIPXVFZSA-N 2 2 397.523 3.633 20 0 GHADLP O=C([C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1)N1CCCC1 ZINC000130957263 885374846 /nfs/dbraw/zinc/37/48/46/885374846.db2.gz YUSORLXQWQIHNE-HSZRJFAPSA-N 2 2 383.580 3.607 20 0 GHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C[C@H](C)O1 ZINC000643898407 912932641 /nfs/dbraw/zinc/93/26/41/912932641.db2.gz GMZGQQLDDRSOSD-KDURUIRLSA-N 2 2 378.520 3.614 20 0 GHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C[C@H](C)O1 ZINC000643898407 912932658 /nfs/dbraw/zinc/93/26/58/912932658.db2.gz GMZGQQLDDRSOSD-KDURUIRLSA-N 2 2 378.520 3.614 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1F ZINC000655768055 885474593 /nfs/dbraw/zinc/47/45/93/885474593.db2.gz OMJCDFUWVWTOJM-CJNGLKHVSA-N 2 2 385.321 3.882 20 0 GHADLP C[N@@H+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@H](c2ccccc2)C1 ZINC000107833271 885498220 /nfs/dbraw/zinc/49/82/20/885498220.db2.gz KIPNYIPQLVZIGR-SFTDATJTSA-N 2 2 396.535 3.505 20 0 GHADLP C[N@H+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@H](c2ccccc2)C1 ZINC000107833271 885498230 /nfs/dbraw/zinc/49/82/30/885498230.db2.gz KIPNYIPQLVZIGR-SFTDATJTSA-N 2 2 396.535 3.505 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000532449960 885511838 /nfs/dbraw/zinc/51/18/38/885511838.db2.gz MHAFSICBPQGLAE-GJZGRUSLSA-N 2 2 382.346 3.630 20 0 GHADLP CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655770146 885659622 /nfs/dbraw/zinc/65/96/22/885659622.db2.gz AJYFUTJLCJRKKE-HNAYVOBHSA-N 2 2 393.369 3.915 20 0 GHADLP CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655770144 885660130 /nfs/dbraw/zinc/66/01/30/885660130.db2.gz AJYFUTJLCJRKKE-BEFAXECRSA-N 2 2 393.369 3.915 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)C[C@H]1c1ccccc1 ZINC000550643675 885692201 /nfs/dbraw/zinc/69/22/01/885692201.db2.gz CJUPFILELGWRBT-VXNXHJTFSA-N 2 2 391.559 3.645 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)C[C@H]1c1ccccc1 ZINC000550643675 885692202 /nfs/dbraw/zinc/69/22/02/885692202.db2.gz CJUPFILELGWRBT-VXNXHJTFSA-N 2 2 391.559 3.645 20 0 GHADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719868 886344930 /nfs/dbraw/zinc/34/49/30/886344930.db2.gz HVUPTYQZCUTGGB-ZWKOTPCHSA-N 2 2 377.960 3.667 20 0 GHADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719868 886344947 /nfs/dbraw/zinc/34/49/47/886344947.db2.gz HVUPTYQZCUTGGB-ZWKOTPCHSA-N 2 2 377.960 3.667 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000119201790 886475756 /nfs/dbraw/zinc/47/57/56/886475756.db2.gz SVKAWLPBCKIDKY-OALUTQOASA-N 2 2 392.613 3.791 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000119201790 886475767 /nfs/dbraw/zinc/47/57/67/886475767.db2.gz SVKAWLPBCKIDKY-OALUTQOASA-N 2 2 392.613 3.791 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000556913185 886698967 /nfs/dbraw/zinc/69/89/67/886698967.db2.gz QXDZYGVPAOCZQV-PGRDOPGGSA-N 2 2 382.527 3.821 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000556913185 886698974 /nfs/dbraw/zinc/69/89/74/886698974.db2.gz QXDZYGVPAOCZQV-PGRDOPGGSA-N 2 2 382.527 3.821 20 0 GHADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)CCSC1 ZINC000762751935 886795421 /nfs/dbraw/zinc/79/54/21/886795421.db2.gz BQZZARZNWCIXNB-OOSNJVJTSA-N 2 2 397.629 3.582 20 0 GHADLP C[NH+]1CCC([N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)CCO)CC1 ZINC000459274893 886940826 /nfs/dbraw/zinc/94/08/26/886940826.db2.gz CCYHBOJPTBNDAA-VMPITWQZSA-N 2 2 380.532 3.667 20 0 GHADLP C[NH+]1CCC([N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)CCO)CC1 ZINC000459274893 886940839 /nfs/dbraw/zinc/94/08/39/886940839.db2.gz CCYHBOJPTBNDAA-VMPITWQZSA-N 2 2 380.532 3.667 20 0 GHADLP O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)CC2)cc1 ZINC000153681059 887299000 /nfs/dbraw/zinc/29/90/00/887299000.db2.gz YLNFESBLLXTSFK-UHFFFAOYSA-N 2 2 395.438 3.678 20 0 GHADLP C[NH+](C)[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655757666 887426844 /nfs/dbraw/zinc/42/68/44/887426844.db2.gz WROIUNCNNKYPPR-UXHICEINSA-N 2 2 399.501 3.541 20 0 GHADLP CN(C)[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655757666 887426853 /nfs/dbraw/zinc/42/68/53/887426853.db2.gz WROIUNCNNKYPPR-UXHICEINSA-N 2 2 399.501 3.541 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000809793250 887847531 /nfs/dbraw/zinc/84/75/31/887847531.db2.gz BISYKKWZYOHCEE-MOPGFXCFSA-N 2 2 391.462 3.778 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000810171849 888231726 /nfs/dbraw/zinc/23/17/26/888231726.db2.gz WJMNULGQRLOLMU-CYBMUJFWSA-N 2 2 376.291 3.858 20 0 GHADLP C[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000763218409 888349442 /nfs/dbraw/zinc/34/94/42/888349442.db2.gz WMLCHYZRNYVVOF-MSOLQXFVSA-N 2 2 391.625 3.969 20 0 GHADLP C[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000763218409 888349452 /nfs/dbraw/zinc/34/94/52/888349452.db2.gz WMLCHYZRNYVVOF-MSOLQXFVSA-N 2 2 391.625 3.969 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC[N@@H+]1C ZINC000123336441 888787494 /nfs/dbraw/zinc/78/74/94/888787494.db2.gz JQERVZRZAYYNRS-QUCCMNQESA-N 2 2 393.531 3.661 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC[N@H+]1C ZINC000123336441 888787502 /nfs/dbraw/zinc/78/75/02/888787502.db2.gz JQERVZRZAYYNRS-QUCCMNQESA-N 2 2 393.531 3.661 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC[NH+]1C ZINC000123336441 888787511 /nfs/dbraw/zinc/78/75/11/888787511.db2.gz JQERVZRZAYYNRS-QUCCMNQESA-N 2 2 393.531 3.661 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC[NH+]1C ZINC000123336441 888787517 /nfs/dbraw/zinc/78/75/17/888787517.db2.gz JQERVZRZAYYNRS-QUCCMNQESA-N 2 2 393.531 3.661 20 0 GHADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000465527360 889246418 /nfs/dbraw/zinc/24/64/18/889246418.db2.gz VTVXUPYWCVBREU-PMACEKPBSA-N 2 2 392.632 3.841 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)c(C)c1 ZINC000868181891 889339287 /nfs/dbraw/zinc/33/92/87/889339287.db2.gz FVCFCDGOLQIUOX-BHDDXSALSA-N 2 2 389.503 3.878 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cccc(-c4ccccn4)c3)[nH+]c2)CC1 ZINC000533038634 889590900 /nfs/dbraw/zinc/59/09/00/889590900.db2.gz GVOYTVUZINMYSP-UHFFFAOYSA-N 2 2 387.531 3.708 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000533067487 889623052 /nfs/dbraw/zinc/62/30/52/889623052.db2.gz YAZTVGCSZPXIPT-NQIIRXRSSA-N 2 2 390.487 3.978 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000533067487 889623053 /nfs/dbraw/zinc/62/30/53/889623053.db2.gz YAZTVGCSZPXIPT-NQIIRXRSSA-N 2 2 390.487 3.978 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc4c(cccc4C4CC4)[nH]3)CC2)CC1 ZINC000868923648 889662143 /nfs/dbraw/zinc/66/21/43/889662143.db2.gz NBOODEVNJNUXLP-UHFFFAOYSA-N 2 2 394.563 3.678 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc4c(cccc4C4CC4)[nH]3)CC2)CC1 ZINC000868923648 889662151 /nfs/dbraw/zinc/66/21/51/889662151.db2.gz NBOODEVNJNUXLP-UHFFFAOYSA-N 2 2 394.563 3.678 20 0 GHADLP CN(C(=O)c1ccc2cc[nH]c2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124612102 889694877 /nfs/dbraw/zinc/69/48/77/889694877.db2.gz DBZYXGIGLIWVQP-YADHBBJMSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1ccc2cc[nH]c2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124612102 889694887 /nfs/dbraw/zinc/69/48/87/889694887.db2.gz DBZYXGIGLIWVQP-YADHBBJMSA-N 2 2 382.552 3.577 20 0 GHADLP CSc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124739096 889744159 /nfs/dbraw/zinc/74/41/59/889744159.db2.gz HKUCOXDKQUFMQB-RTWAWAEBSA-N 2 2 389.609 3.818 20 0 GHADLP CSc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124739096 889744169 /nfs/dbraw/zinc/74/41/69/889744169.db2.gz HKUCOXDKQUFMQB-RTWAWAEBSA-N 2 2 389.609 3.818 20 0 GHADLP C[C@H](Cc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124872330 889798782 /nfs/dbraw/zinc/79/87/82/889798782.db2.gz GRGQNKRMIDEEIU-OIBXWCBGSA-N 2 2 385.596 3.661 20 0 GHADLP C[C@H](Cc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124872330 889798789 /nfs/dbraw/zinc/79/87/89/889798789.db2.gz GRGQNKRMIDEEIU-OIBXWCBGSA-N 2 2 385.596 3.661 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)cc1F ZINC000124884337 889802499 /nfs/dbraw/zinc/80/24/99/889802499.db2.gz PUBYRUVLOUJPHA-RTWAWAEBSA-N 2 2 393.522 3.682 20 0 GHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)cc1F ZINC000124884337 889802508 /nfs/dbraw/zinc/80/25/08/889802508.db2.gz PUBYRUVLOUJPHA-RTWAWAEBSA-N 2 2 393.522 3.682 20 0 GHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](CO)c1cccc(Br)c1 ZINC000125600396 890050305 /nfs/dbraw/zinc/05/03/05/890050305.db2.gz HPYAAASWSLTECL-LJQANCHMSA-N 2 2 386.293 3.800 20 0 GHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](CO)c1cccc(Br)c1 ZINC000125600396 890050320 /nfs/dbraw/zinc/05/03/20/890050320.db2.gz HPYAAASWSLTECL-LJQANCHMSA-N 2 2 386.293 3.800 20 0 GHADLP CCc1nc2cc(C[NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)ccc2n1C1CC1 ZINC000644641497 913421637 /nfs/dbraw/zinc/42/16/37/913421637.db2.gz XOTOSWRPIUNSKB-NRFANRHFSA-N 2 2 392.547 3.516 20 0 GHADLP CCc1nc2cc(C[NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)ccc2n1C1CC1 ZINC000644641497 913421644 /nfs/dbraw/zinc/42/16/44/913421644.db2.gz XOTOSWRPIUNSKB-NRFANRHFSA-N 2 2 392.547 3.516 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1OC(F)F ZINC000126688874 890649747 /nfs/dbraw/zinc/64/97/47/890649747.db2.gz BMPWXWLUMFDXGX-KRWDZBQOSA-N 2 2 389.490 3.886 20 0 GHADLP CN(C(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126856850 890787244 /nfs/dbraw/zinc/78/72/44/890787244.db2.gz NYKWDOJVOUUYCK-UHFFFAOYSA-N 2 2 390.487 3.624 20 0 GHADLP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812842962 891032393 /nfs/dbraw/zinc/03/23/93/891032393.db2.gz CBRYKCCMSWTXFN-CJFMBICVSA-N 2 2 392.591 3.832 20 0 GHADLP Cc1cc(C)c(NC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)c(C)[nH+]1 ZINC000455489660 891042634 /nfs/dbraw/zinc/04/26/34/891042634.db2.gz VWXAXEWXQJTRTO-UHFFFAOYSA-N 2 2 382.508 3.803 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812899616 891114337 /nfs/dbraw/zinc/11/43/37/891114337.db2.gz MTRATZHKWPMDIU-GOSISDBHSA-N 2 2 389.503 3.951 20 0 GHADLP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000127595146 891152299 /nfs/dbraw/zinc/15/22/99/891152299.db2.gz GGBFDTJNPXPJLW-AVRDEDQJSA-N 2 2 375.520 3.576 20 0 GHADLP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000127595146 891152303 /nfs/dbraw/zinc/15/23/03/891152303.db2.gz GGBFDTJNPXPJLW-AVRDEDQJSA-N 2 2 375.520 3.576 20 0 GHADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000628476247 891210768 /nfs/dbraw/zinc/21/07/68/891210768.db2.gz OYYJFBXPNSXFHB-GOSISDBHSA-N 2 2 378.532 3.590 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000247211125 891355046 /nfs/dbraw/zinc/35/50/46/891355046.db2.gz VSNCYUSTASXWDB-PGRDOPGGSA-N 2 2 389.547 3.696 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000247211125 891355056 /nfs/dbraw/zinc/35/50/56/891355056.db2.gz VSNCYUSTASXWDB-PGRDOPGGSA-N 2 2 389.547 3.696 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247444080 891377667 /nfs/dbraw/zinc/37/76/67/891377667.db2.gz XQXMXPYWQWYXFL-GJZGRUSLSA-N 2 2 394.441 3.721 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247444080 891377682 /nfs/dbraw/zinc/37/76/82/891377682.db2.gz XQXMXPYWQWYXFL-GJZGRUSLSA-N 2 2 394.441 3.721 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cnnn1-c1ccccc1 ZINC000813327707 891479110 /nfs/dbraw/zinc/47/91/10/891479110.db2.gz HBIOFDNPIKESKJ-MSOLQXFVSA-N 2 2 376.508 3.539 20 0 GHADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000497470990 891647422 /nfs/dbraw/zinc/64/74/22/891647422.db2.gz RMLKGXQJHYHTJB-CTNGQTDRSA-N 2 2 381.511 3.728 20 0 GHADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000497470990 891647428 /nfs/dbraw/zinc/64/74/28/891647428.db2.gz RMLKGXQJHYHTJB-CTNGQTDRSA-N 2 2 381.511 3.728 20 0 GHADLP CCc1nn(C)c(OC)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000813788991 891978281 /nfs/dbraw/zinc/97/82/81/891978281.db2.gz FSKXJKGQFKPQDL-IHWFROFDSA-N 2 2 382.552 3.666 20 0 GHADLP CCc1nn(C)c(OC)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813788991 891978290 /nfs/dbraw/zinc/97/82/90/891978290.db2.gz FSKXJKGQFKPQDL-IHWFROFDSA-N 2 2 382.552 3.666 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000428588682 892627008 /nfs/dbraw/zinc/62/70/08/892627008.db2.gz URGKAIIAIYRYKD-OAQYLSRUSA-N 2 2 397.567 3.532 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000428588682 892627013 /nfs/dbraw/zinc/62/70/13/892627013.db2.gz URGKAIIAIYRYKD-OAQYLSRUSA-N 2 2 397.567 3.532 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000428589650 892628428 /nfs/dbraw/zinc/62/84/28/892628428.db2.gz MYFBENMFNYFSIK-LJQANCHMSA-N 2 2 391.604 3.768 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000428589650 892628433 /nfs/dbraw/zinc/62/84/33/892628433.db2.gz MYFBENMFNYFSIK-LJQANCHMSA-N 2 2 391.604 3.768 20 0 GHADLP COc1cc(OC)c(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000508715785 892867588 /nfs/dbraw/zinc/86/75/88/892867588.db2.gz XXVCIRMUGWBDJB-PKOBYXMFSA-N 2 2 384.520 3.713 20 0 GHADLP COc1cc(OC)c(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000508715785 892867598 /nfs/dbraw/zinc/86/75/98/892867598.db2.gz XXVCIRMUGWBDJB-PKOBYXMFSA-N 2 2 384.520 3.713 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000428681370 893185042 /nfs/dbraw/zinc/18/50/42/893185042.db2.gz NKQNVSCQJJURQB-OAQYLSRUSA-N 2 2 397.567 3.704 20 0 GHADLP Clc1cccc(N2CCOCC2)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000815118703 893450687 /nfs/dbraw/zinc/45/06/87/893450687.db2.gz JHQZQPMYIHBDFX-UHFFFAOYSA-N 2 2 382.895 3.652 20 0 GHADLP CC[N@@H+](Cc1ccc(-n2cncn2)c(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000536662666 893476334 /nfs/dbraw/zinc/47/63/34/893476334.db2.gz PTSLVRPYWDODJV-UHFFFAOYSA-N 2 2 394.498 3.540 20 0 GHADLP CC[N@H+](Cc1ccc(-n2cncn2)c(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000536662666 893476338 /nfs/dbraw/zinc/47/63/38/893476338.db2.gz PTSLVRPYWDODJV-UHFFFAOYSA-N 2 2 394.498 3.540 20 0 GHADLP Cc1nc2scc(C3CC3)n2c1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000459444280 893534890 /nfs/dbraw/zinc/53/48/90/893534890.db2.gz FLFYXJICAFIMDI-KRWDZBQOSA-N 2 2 396.564 3.729 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000459446634 893536765 /nfs/dbraw/zinc/53/67/65/893536765.db2.gz IKJGFIDDITVALZ-HSZRJFAPSA-N 3 2 375.520 3.895 20 0 GHADLP C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536851998 893936358 /nfs/dbraw/zinc/93/63/58/893936358.db2.gz OPHDMFSQSZVGOU-RDJZCZTQSA-N 2 2 380.879 3.982 20 0 GHADLP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000129787695 893971758 /nfs/dbraw/zinc/97/17/58/893971758.db2.gz MIWOXQGDUMGNHL-UXHICEINSA-N 2 2 389.902 3.716 20 0 GHADLP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000129787695 893971761 /nfs/dbraw/zinc/97/17/61/893971761.db2.gz MIWOXQGDUMGNHL-UXHICEINSA-N 2 2 389.902 3.716 20 0 GHADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3c4sccc4OC(C)(C)[C@@H]3O)CC2)C1 ZINC000459698973 894090553 /nfs/dbraw/zinc/09/05/53/894090553.db2.gz NASLBGBRJIIAFV-PFSLXQJOSA-N 2 2 378.582 3.954 20 0 GHADLP CN(C(=O)C[C@H]1CCCC1(F)F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000935078863 894172124 /nfs/dbraw/zinc/17/21/24/894172124.db2.gz NTKOINDUYRMDPM-QRQLOZEOSA-N 2 2 385.543 3.608 20 0 GHADLP CN(C(=O)C[C@H]1CCCC1(F)F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000935078863 894172126 /nfs/dbraw/zinc/17/21/26/894172126.db2.gz NTKOINDUYRMDPM-QRQLOZEOSA-N 2 2 385.543 3.608 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000536999378 894206353 /nfs/dbraw/zinc/20/63/53/894206353.db2.gz LCLUNYJELUQQFB-RBUKOAKNSA-N 2 2 397.485 3.689 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000536999378 894206365 /nfs/dbraw/zinc/20/63/65/894206365.db2.gz LCLUNYJELUQQFB-RBUKOAKNSA-N 2 2 397.485 3.689 20 0 GHADLP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC000537409188 894927668 /nfs/dbraw/zinc/92/76/68/894927668.db2.gz BRSSXLWQPSNYMU-FPOVZHCZSA-N 2 2 379.976 3.645 20 0 GHADLP CN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@H]1CCCc2ccccc21 ZINC000564700504 895194893 /nfs/dbraw/zinc/19/48/93/895194893.db2.gz CFWQLEUAOSOCOQ-QFIPXVFZSA-N 2 2 398.595 3.656 20 0 GHADLP O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1ccco1 ZINC000817274649 895460475 /nfs/dbraw/zinc/46/04/75/895460475.db2.gz PAYFLVVOKUSSQS-GOTSBHOMSA-N 2 2 398.547 3.980 20 0 GHADLP O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1ccco1 ZINC000817274649 895460483 /nfs/dbraw/zinc/46/04/83/895460483.db2.gz PAYFLVVOKUSSQS-GOTSBHOMSA-N 2 2 398.547 3.980 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000566216028 896177318 /nfs/dbraw/zinc/17/73/18/896177318.db2.gz IUHVLNDFOBIELV-OAQYLSRUSA-N 2 2 398.572 3.767 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000566216028 896177329 /nfs/dbraw/zinc/17/73/29/896177329.db2.gz IUHVLNDFOBIELV-OAQYLSRUSA-N 2 2 398.572 3.767 20 0 GHADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000819109715 896415076 /nfs/dbraw/zinc/41/50/76/896415076.db2.gz ZORSJKHYBLUDII-UHFFFAOYSA-N 2 2 398.526 3.787 20 0 GHADLP CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC001136348314 897371539 /nfs/dbraw/zinc/37/15/39/897371539.db2.gz FMCVXQLBIVDOLS-NRFANRHFSA-N 2 2 389.559 3.761 20 0 GHADLP CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC001136348314 897371548 /nfs/dbraw/zinc/37/15/48/897371548.db2.gz FMCVXQLBIVDOLS-NRFANRHFSA-N 2 2 389.559 3.761 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883387032 897550094 /nfs/dbraw/zinc/55/00/94/897550094.db2.gz QPMDOARZDYBBRL-SQNIBIBYSA-N 2 2 377.435 3.581 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](CCc2cccs2)CC1)c1ccccc1 ZINC001136404205 897689045 /nfs/dbraw/zinc/68/90/45/897689045.db2.gz RZIWJAWDVGJMTN-NRFANRHFSA-N 2 2 385.577 3.518 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)C1 ZINC001136405316 897692702 /nfs/dbraw/zinc/69/27/02/897692702.db2.gz PLVXRFJTDDNDQF-FGYAAKKASA-N 2 2 386.584 3.925 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)C1 ZINC001136405316 897692708 /nfs/dbraw/zinc/69/27/08/897692708.db2.gz PLVXRFJTDDNDQF-FGYAAKKASA-N 2 2 386.584 3.925 20 0 GHADLP O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000568545295 897925373 /nfs/dbraw/zinc/92/53/73/897925373.db2.gz GTOXBNXOTJGJBZ-RTWAWAEBSA-N 2 2 381.520 3.634 20 0 GHADLP O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000568545295 897925380 /nfs/dbraw/zinc/92/53/80/897925380.db2.gz GTOXBNXOTJGJBZ-RTWAWAEBSA-N 2 2 381.520 3.634 20 0 GHADLP C[C@H](CC(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1)n1cc[nH+]c1 ZINC000568986907 898260565 /nfs/dbraw/zinc/26/05/65/898260565.db2.gz HLUOLVSFHDRLEK-QRWLVFNGSA-N 2 2 390.478 3.844 20 0 GHADLP C[C@H]1CC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CN1C(=O)OC(C)(C)C ZINC000822450562 898380195 /nfs/dbraw/zinc/38/01/95/898380195.db2.gz ABOVUYFJXMWNRT-PXNSSMCTSA-N 2 2 384.524 3.809 20 0 GHADLP COCCOCc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000289679758 914293453 /nfs/dbraw/zinc/29/34/53/914293453.db2.gz JKOFERQWFUKHCL-LJQANCHMSA-N 2 2 383.536 3.560 20 0 GHADLP CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC001136703666 898944603 /nfs/dbraw/zinc/94/46/03/898944603.db2.gz XDGWAOITZBEJOV-OAQYLSRUSA-N 2 2 398.551 3.574 20 0 GHADLP CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC001136703666 898944614 /nfs/dbraw/zinc/94/46/14/898944614.db2.gz XDGWAOITZBEJOV-OAQYLSRUSA-N 2 2 398.551 3.574 20 0 GHADLP Fc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c2c(c1)COCO2 ZINC000569891318 899009132 /nfs/dbraw/zinc/00/91/32/899009132.db2.gz GEGKFCYCRFVREW-NQIIRXRSSA-N 2 2 382.479 3.646 20 0 GHADLP Fc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c2c(c1)COCO2 ZINC000569891318 899009146 /nfs/dbraw/zinc/00/91/46/899009146.db2.gz GEGKFCYCRFVREW-NQIIRXRSSA-N 2 2 382.479 3.646 20 0 GHADLP Fc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c2c(c1)COCO2 ZINC000569891318 899009156 /nfs/dbraw/zinc/00/91/56/899009156.db2.gz GEGKFCYCRFVREW-NQIIRXRSSA-N 2 2 382.479 3.646 20 0 GHADLP Fc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c2c(c1)COCO2 ZINC000569891318 899009169 /nfs/dbraw/zinc/00/91/69/899009169.db2.gz GEGKFCYCRFVREW-NQIIRXRSSA-N 2 2 382.479 3.646 20 0 GHADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001136753141 899143309 /nfs/dbraw/zinc/14/33/09/899143309.db2.gz KILJLRAUSQQDMG-PKOBYXMFSA-N 2 2 395.950 3.682 20 0 GHADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001136753141 899143317 /nfs/dbraw/zinc/14/33/17/899143317.db2.gz KILJLRAUSQQDMG-PKOBYXMFSA-N 2 2 395.950 3.682 20 0 GHADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001136753141 899143321 /nfs/dbraw/zinc/14/33/21/899143321.db2.gz KILJLRAUSQQDMG-PKOBYXMFSA-N 2 2 395.950 3.682 20 0 GHADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001136753141 899143330 /nfs/dbraw/zinc/14/33/30/899143330.db2.gz KILJLRAUSQQDMG-PKOBYXMFSA-N 2 2 395.950 3.682 20 0 GHADLP C[C@@H]1C[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCN1C(=O)OC(C)(C)C ZINC000823654305 899163532 /nfs/dbraw/zinc/16/35/32/899163532.db2.gz UCDWHRIDORXYKQ-MSOLQXFVSA-N 2 2 388.556 3.676 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000823653957 899164991 /nfs/dbraw/zinc/16/49/91/899164991.db2.gz JNAWTYCOBNKLFP-PKOBYXMFSA-N 2 2 388.556 3.818 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CCCC1)c1ccccc1 ZINC001136797507 899320803 /nfs/dbraw/zinc/32/08/03/899320803.db2.gz MUMTYXAJVDTDKA-UTKZUKDTSA-N 2 2 395.551 3.570 20 0 GHADLP C[C@@H]([NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CCCC1)c1ccccc1 ZINC001136797507 899320813 /nfs/dbraw/zinc/32/08/13/899320813.db2.gz MUMTYXAJVDTDKA-UTKZUKDTSA-N 2 2 395.551 3.570 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000332148667 899437594 /nfs/dbraw/zinc/43/75/94/899437594.db2.gz IAYXGNXSBSZSGD-KBPBESRZSA-N 2 2 391.313 3.687 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000332148667 899437601 /nfs/dbraw/zinc/43/76/01/899437601.db2.gz IAYXGNXSBSZSGD-KBPBESRZSA-N 2 2 391.313 3.687 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1c1ccccc1 ZINC000824208756 899455938 /nfs/dbraw/zinc/45/59/38/899455938.db2.gz HARIAVXUAWCMME-XUVXKRRUSA-N 2 2 396.535 3.928 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289798073 914354230 /nfs/dbraw/zinc/35/42/30/914354230.db2.gz YZIQMQIDDYNRMN-SFHVURJKSA-N 2 2 380.458 3.837 20 0 GHADLP FC(F)(F)Cn1ccnc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289798073 914354245 /nfs/dbraw/zinc/35/42/45/914354245.db2.gz YZIQMQIDDYNRMN-SFHVURJKSA-N 2 2 380.458 3.837 20 0 GHADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000570666902 899490450 /nfs/dbraw/zinc/49/04/50/899490450.db2.gz LAJAHOYPGUAJCQ-HXUWFJFHSA-N 2 2 393.535 3.844 20 0 GHADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000570666902 899490459 /nfs/dbraw/zinc/49/04/59/899490459.db2.gz LAJAHOYPGUAJCQ-HXUWFJFHSA-N 2 2 393.535 3.844 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000824477064 899621136 /nfs/dbraw/zinc/62/11/36/899621136.db2.gz AQLXOUYKIUJPKS-KGLIPLIRSA-N 2 2 397.853 3.982 20 0 GHADLP CN1c2ccc(C[NH2+]CC3([N@H+](C)Cc4ccccc4)CCC3)cc2CCC1=O ZINC000824738759 899774886 /nfs/dbraw/zinc/77/48/86/899774886.db2.gz QSGYEWUIBNRQQN-UHFFFAOYSA-N 2 2 377.532 3.740 20 0 GHADLP CN1c2ccc(C[NH2+]CC3([N@@H+](C)Cc4ccccc4)CCC3)cc2CCC1=O ZINC000824738759 899774895 /nfs/dbraw/zinc/77/48/95/899774895.db2.gz QSGYEWUIBNRQQN-UHFFFAOYSA-N 2 2 377.532 3.740 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)s1 ZINC000796314664 914384340 /nfs/dbraw/zinc/38/43/40/914384340.db2.gz DOWNVWUXBCWJNG-KRWDZBQOSA-N 2 2 390.553 3.560 20 0 GHADLP CCN(CC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1)C(=O)OC(C)(C)C ZINC000824913676 899874433 /nfs/dbraw/zinc/87/44/33/899874433.db2.gz WUBCQXRFNHOXBB-UHFFFAOYSA-N 2 2 399.539 3.736 20 0 GHADLP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000571484127 899884324 /nfs/dbraw/zinc/88/43/24/899884324.db2.gz KVLBUNBDZGFFRZ-QGZVFWFLSA-N 2 2 387.553 3.758 20 0 GHADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000571484127 899884332 /nfs/dbraw/zinc/88/43/32/899884332.db2.gz KVLBUNBDZGFFRZ-QGZVFWFLSA-N 2 2 387.553 3.758 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[NH+]1CCC3(CCCCC3)CC1)C2 ZINC000572085798 900060846 /nfs/dbraw/zinc/06/08/46/900060846.db2.gz RVVAIMFZRKGMIS-GOSISDBHSA-N 2 2 386.584 3.801 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[NH+]1CCC3(CCCCC3)CC1)CC2 ZINC000572085798 900060853 /nfs/dbraw/zinc/06/08/53/900060853.db2.gz RVVAIMFZRKGMIS-GOSISDBHSA-N 2 2 386.584 3.801 20 0 GHADLP CC1(C)CCC[N@H+](CCNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000572087551 900062321 /nfs/dbraw/zinc/06/23/21/900062321.db2.gz SXLZFUVDMPROFZ-UHFFFAOYSA-N 2 2 393.535 3.845 20 0 GHADLP CC1(C)CCC[N@@H+](CCNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000572087551 900062331 /nfs/dbraw/zinc/06/23/31/900062331.db2.gz SXLZFUVDMPROFZ-UHFFFAOYSA-N 2 2 393.535 3.845 20 0 GHADLP C[NH2+]Cc1ccc(NC(=O)[C@H]2Cc3ccccc3C[N@@H+]2Cc2ccccc2)cc1 ZINC001186312366 914464271 /nfs/dbraw/zinc/46/42/71/914464271.db2.gz KSXUOHZYUADLNB-XMMPIXPASA-N 2 2 385.511 3.972 20 0 GHADLP C[NH2+]Cc1ccc(NC(=O)[C@H]2Cc3ccccc3C[N@H+]2Cc2ccccc2)cc1 ZINC001186312366 914464277 /nfs/dbraw/zinc/46/42/77/914464277.db2.gz KSXUOHZYUADLNB-XMMPIXPASA-N 2 2 385.511 3.972 20 0 GHADLP COc1ccc(-c2ncc(C[NH+]3CCC(n4cc[nH+]c4)CC3)s2)cc1OC ZINC001144067041 901012281 /nfs/dbraw/zinc/01/22/81/901012281.db2.gz ADJBFVHEEGAGFV-UHFFFAOYSA-N 2 2 384.505 3.861 20 0 GHADLP CCc1cc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)cc(CC)c1O ZINC001144141411 901119995 /nfs/dbraw/zinc/11/99/95/901119995.db2.gz HTUWVJUWAAQVJU-UHFFFAOYSA-N 2 2 396.579 3.881 20 0 GHADLP CCc1cc(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)cc(CC)c1O ZINC001144141411 901120001 /nfs/dbraw/zinc/12/00/01/901120001.db2.gz HTUWVJUWAAQVJU-UHFFFAOYSA-N 2 2 396.579 3.881 20 0 GHADLP C[NH+](C)Cc1cc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)ccc1F ZINC000575365024 901211491 /nfs/dbraw/zinc/21/14/91/901211491.db2.gz KVFFEQPBVOKYTK-UHFFFAOYSA-N 2 2 377.423 3.849 20 0 GHADLP CN(CCC[N@H+](C)Cc1nc(-c2ccccc2Cl)cs1)CC[NH+](C)C ZINC000575505495 901244175 /nfs/dbraw/zinc/24/41/75/901244175.db2.gz SJETXQNTHUCQGA-UHFFFAOYSA-N 2 2 380.989 3.779 20 0 GHADLP CN(CCC[N@@H+](C)Cc1nc(-c2ccccc2Cl)cs1)CC[NH+](C)C ZINC000575505495 901244189 /nfs/dbraw/zinc/24/41/89/901244189.db2.gz SJETXQNTHUCQGA-UHFFFAOYSA-N 2 2 380.989 3.779 20 0 GHADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)cc2)c1C ZINC000576083428 901663978 /nfs/dbraw/zinc/66/39/78/901663978.db2.gz VBLKXARHWKQSOM-HXUWFJFHSA-N 2 2 389.503 3.735 20 0 GHADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)cc2)c1C ZINC000576083428 901663986 /nfs/dbraw/zinc/66/39/86/901663986.db2.gz VBLKXARHWKQSOM-HXUWFJFHSA-N 2 2 389.503 3.735 20 0 GHADLP FC(F)(F)COc1ccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cn1 ZINC001144351051 901864087 /nfs/dbraw/zinc/86/40/87/901864087.db2.gz RIBYLXOCCYOKEG-CALCHBBNSA-N 2 2 395.425 3.570 20 0 GHADLP FC(F)(F)COc1ccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cn1 ZINC001144351051 901864194 /nfs/dbraw/zinc/86/41/94/901864194.db2.gz RIBYLXOCCYOKEG-CALCHBBNSA-N 2 2 395.425 3.570 20 0 GHADLP FC(F)(F)COc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cn1 ZINC001144351051 901864334 /nfs/dbraw/zinc/86/43/34/901864334.db2.gz RIBYLXOCCYOKEG-CALCHBBNSA-N 2 2 395.425 3.570 20 0 GHADLP FC(F)(F)COc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cn1 ZINC001144351051 901864363 /nfs/dbraw/zinc/86/43/63/901864363.db2.gz RIBYLXOCCYOKEG-CALCHBBNSA-N 2 2 395.425 3.570 20 0 GHADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000333491498 902131422 /nfs/dbraw/zinc/13/14/22/902131422.db2.gz UVKYTKZTDTWHMT-TZIWHRDSSA-N 2 2 393.535 3.977 20 0 GHADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000333491498 902131451 /nfs/dbraw/zinc/13/14/51/902131451.db2.gz UVKYTKZTDTWHMT-TZIWHRDSSA-N 2 2 393.535 3.977 20 0 GHADLP C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000576841652 902296042 /nfs/dbraw/zinc/29/60/42/902296042.db2.gz XJFSNPHFRDBPNN-XRYRHKQGSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000576841652 902296056 /nfs/dbraw/zinc/29/60/56/902296056.db2.gz XJFSNPHFRDBPNN-XRYRHKQGSA-N 2 2 392.632 3.790 20 0 GHADLP CN(C(=O)Nc1cccc(C2CC2)n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000577354294 902709519 /nfs/dbraw/zinc/70/95/19/902709519.db2.gz CFSWMZBILPQGRN-NHCUHLMSSA-N 2 2 399.583 3.760 20 0 GHADLP CN(C(=O)Nc1cccc(C2CC2)n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000577354294 902709528 /nfs/dbraw/zinc/70/95/28/902709528.db2.gz CFSWMZBILPQGRN-NHCUHLMSSA-N 2 2 399.583 3.760 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](Cc3cccc4cc[nH]c43)CC2)C1 ZINC001144721248 902747214 /nfs/dbraw/zinc/74/72/14/902747214.db2.gz CVFOHIBOSPAZCM-IBGZPJMESA-N 2 2 398.551 3.731 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CC[NH+](Cc3cccc4cc[nH]c43)CC2)C1 ZINC001144721248 902747226 /nfs/dbraw/zinc/74/72/26/902747226.db2.gz CVFOHIBOSPAZCM-IBGZPJMESA-N 2 2 398.551 3.731 20 0 GHADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000601133725 903374919 /nfs/dbraw/zinc/37/49/19/903374919.db2.gz JLDILELSMDCFCU-OAQYLSRUSA-N 2 2 381.524 3.781 20 0 GHADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(COc4ccc(Cl)cc4)n3)C[C@H]21 ZINC000578193106 903603585 /nfs/dbraw/zinc/60/35/85/903603585.db2.gz NRSFGHZNDGZARU-FSPWUOQZSA-N 2 2 377.941 3.935 20 0 GHADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(COc4ccc(Cl)cc4)n3)C[C@H]21 ZINC000578193106 903603591 /nfs/dbraw/zinc/60/35/91/903603591.db2.gz NRSFGHZNDGZARU-FSPWUOQZSA-N 2 2 377.941 3.935 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000578212992 903618385 /nfs/dbraw/zinc/61/83/85/903618385.db2.gz RTRWZWUKTXUXTL-AQNXPRMDSA-N 2 2 377.960 3.686 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000578212992 903618389 /nfs/dbraw/zinc/61/83/89/903618389.db2.gz RTRWZWUKTXUXTL-AQNXPRMDSA-N 2 2 377.960 3.686 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000578293269 903703027 /nfs/dbraw/zinc/70/30/27/903703027.db2.gz MXWKZJYLCXLIGV-UHFFFAOYSA-N 2 2 386.584 3.801 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000578293269 903703039 /nfs/dbraw/zinc/70/30/39/903703039.db2.gz MXWKZJYLCXLIGV-UHFFFAOYSA-N 2 2 386.584 3.801 20 0 GHADLP [NH3+]CCCC[C@H]([NH2+][C@@H]1CCc2c(F)cccc2C1)C(=O)OCc1ccccc1 ZINC001171403769 904511356 /nfs/dbraw/zinc/51/13/56/904511356.db2.gz CEINZNAHMDQGJX-KNQAVFIVSA-N 2 2 384.495 3.514 20 0 GHADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000290791551 914821323 /nfs/dbraw/zinc/82/13/23/914821323.db2.gz URYMETXNBAMQGB-QZTJIDSGSA-N 2 2 390.572 3.890 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000579488935 904646931 /nfs/dbraw/zinc/64/69/31/904646931.db2.gz BSQJYOKJTQCGGT-CQSZACIVSA-N 2 2 387.281 3.827 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000579488935 904646935 /nfs/dbraw/zinc/64/69/35/904646935.db2.gz BSQJYOKJTQCGGT-CQSZACIVSA-N 2 2 387.281 3.827 20 0 GHADLP Fc1cc2c(cc1F)C[C@@H](N(c1cccc[nH+]1)[C@@H]1COC3(C1)CC[NH2+]CC3)CC2 ZINC001171483504 904727037 /nfs/dbraw/zinc/72/70/37/904727037.db2.gz MXMSGODNSUDUGW-OALUTQOASA-N 2 2 399.485 3.635 20 0 GHADLP COc1ccccc1C1([NH3+])CC[NH+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171522261 904799220 /nfs/dbraw/zinc/79/92/20/904799220.db2.gz VLSYENDZABBJMJ-HNNXBMFYSA-N 2 2 390.449 3.920 20 0 GHADLP COc1ccc(CC[NH+]2CCC([NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)cc1 ZINC001171625769 904888484 /nfs/dbraw/zinc/88/84/84/904888484.db2.gz NIHHDQOIEDQOAG-UHFFFAOYSA-N 3 2 387.612 3.943 20 0 GHADLP Cc1[nH+]cn([C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1CSCC[NH3+] ZINC001171832961 905084377 /nfs/dbraw/zinc/08/43/77/905084377.db2.gz BVUMUJSQGKVHDX-INIZCTEOSA-N 2 2 394.585 3.878 20 0 GHADLP CCOC(=O)c1nc(-c2ccccc2)oc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000174158154 905214129 /nfs/dbraw/zinc/21/41/29/905214129.db2.gz ISQHBDIZNADYAK-UHFFFAOYSA-N 2 2 380.448 3.552 20 0 GHADLP CC1(C)C[C@H](N2CC[NH+](Cc3cccnc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171976496 905222973 /nfs/dbraw/zinc/22/29/73/905222973.db2.gz LQDZNDWTAQNOPW-HSZRJFAPSA-N 2 2 378.564 3.642 20 0 GHADLP CC1(C)C[C@H](N2CC[NH+](Cc3cccnc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171976496 905222983 /nfs/dbraw/zinc/22/29/83/905222983.db2.gz LQDZNDWTAQNOPW-HSZRJFAPSA-N 2 2 378.564 3.642 20 0 GHADLP O=C1Nc2ccccc2C[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172061698 905324154 /nfs/dbraw/zinc/32/41/54/905324154.db2.gz IYICIYVWWBHCOW-QXUYBEEESA-N 2 2 375.516 3.725 20 0 GHADLP O=C1Nc2ccccc2C[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061698 905324170 /nfs/dbraw/zinc/32/41/70/905324170.db2.gz IYICIYVWWBHCOW-QXUYBEEESA-N 2 2 375.516 3.725 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC(n2c[nH+]c(C)c2CC[NH3+])CC1 ZINC001172209949 905409901 /nfs/dbraw/zinc/40/99/01/905409901.db2.gz RGXPKOYLKCSBRY-UHFFFAOYSA-N 2 2 375.900 3.572 20 0 GHADLP CC(C)OCC[C@H](C)[NH2+]C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001172442183 905561356 /nfs/dbraw/zinc/56/13/56/905561356.db2.gz JHCRCNJWENYVMI-XUZZJYLKSA-N 2 2 384.564 3.843 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@H]([NH2+][C@H]3CC[N@H+](CC4CCC4)C3)CC[C@H]2C1 ZINC001172520865 905581372 /nfs/dbraw/zinc/58/13/72/905581372.db2.gz RBRPXSNAWLJELM-XQUALCHDSA-N 2 2 395.591 3.781 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](CC4CCC4)C3)CC[C@H]2C1 ZINC001172520865 905581381 /nfs/dbraw/zinc/58/13/81/905581381.db2.gz RBRPXSNAWLJELM-XQUALCHDSA-N 2 2 395.591 3.781 20 0 GHADLP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001172593258 905656877 /nfs/dbraw/zinc/65/68/77/905656877.db2.gz ULBSQCMXVQQASC-VQIMIIECSA-N 2 2 398.469 3.991 20 0 GHADLP CCCC[C@H]1C[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)CCN1C(=O)OC(C)(C)C ZINC001172645095 905707240 /nfs/dbraw/zinc/70/72/40/905707240.db2.gz CEWAJMURXDMOIF-ROUUACIJSA-N 2 2 376.545 3.700 20 0 GHADLP CCCC[C@H]1C[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)CCN1C(=O)OC(C)(C)C ZINC001172645095 905707248 /nfs/dbraw/zinc/70/72/48/905707248.db2.gz CEWAJMURXDMOIF-ROUUACIJSA-N 2 2 376.545 3.700 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCCCC2)CC[C@H]1F ZINC001206173656 905735253 /nfs/dbraw/zinc/73/52/53/905735253.db2.gz JHDCDVIZEPYKFA-SJORKVTESA-N 2 2 384.337 3.701 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(Br)cc2N2CCCCC2)CC[C@H]1F ZINC001206173656 905735261 /nfs/dbraw/zinc/73/52/61/905735261.db2.gz JHDCDVIZEPYKFA-SJORKVTESA-N 2 2 384.337 3.701 20 0 GHADLP O=C1C[C@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CCN1Cc1ccccc1 ZINC001172675243 905756847 /nfs/dbraw/zinc/75/68/47/905756847.db2.gz SAWGZWGBYPVFBT-JOCHJYFZSA-N 2 2 381.564 3.518 20 0 GHADLP O=C1C[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CCN1Cc1ccccc1 ZINC001172675243 905756857 /nfs/dbraw/zinc/75/68/57/905756857.db2.gz SAWGZWGBYPVFBT-JOCHJYFZSA-N 2 2 381.564 3.518 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2Cc4ccc(Cl)cc4C2)CC3)cn1 ZINC001172719041 905768658 /nfs/dbraw/zinc/76/86/58/905768658.db2.gz SSHWOSQKXDHAGR-OAQYLSRUSA-N 2 2 384.955 3.671 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@@H]2Cc4ccc(Cl)cc4C2)CC3)cn1 ZINC001172719041 905768667 /nfs/dbraw/zinc/76/86/67/905768667.db2.gz SSHWOSQKXDHAGR-OAQYLSRUSA-N 2 2 384.955 3.671 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@@H]3Cc4ccc(Cl)cc4C3)CC2)CC1 ZINC001172712624 905795329 /nfs/dbraw/zinc/79/53/29/905795329.db2.gz BXTUURJDGQHJCG-OAQYLSRUSA-N 2 2 390.955 3.547 20 0 GHADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001172952172 906056674 /nfs/dbraw/zinc/05/66/74/906056674.db2.gz AGONKTJZVXTNMV-KRWDZBQOSA-N 2 2 376.545 3.533 20 0 GHADLP CC(C)[N@H+](C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C1CC[NH+](C)CC1 ZINC001173424611 906460063 /nfs/dbraw/zinc/46/00/63/906460063.db2.gz PYONPOGHRAHMGS-UHFFFAOYSA-N 2 2 377.960 3.749 20 0 GHADLP CC(C)[N@@H+](C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C1CC[NH+](C)CC1 ZINC001173424611 906460069 /nfs/dbraw/zinc/46/00/69/906460069.db2.gz PYONPOGHRAHMGS-UHFFFAOYSA-N 2 2 377.960 3.749 20 0 GHADLP C[C@@H]1CC(N(c2cccc[nH+]2)C2CC[NH2+]CC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173683369 906622539 /nfs/dbraw/zinc/62/25/39/906622539.db2.gz AZMHBZZDNBASMC-IAGOWNOFSA-N 2 2 388.556 3.817 20 0 GHADLP [NH3+]C1(C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Br)c2)CCOCC1 ZINC000629525529 906855135 /nfs/dbraw/zinc/85/51/35/906855135.db2.gz VPLFAKXGDIHBLX-GOSISDBHSA-N 2 2 393.300 3.775 20 0 GHADLP C[NH+](C)[C@H]1CCOc2c(Nc3ccc(OCC[NH+]4CCOCC4)cc3)cccc21 ZINC001174433690 907025683 /nfs/dbraw/zinc/02/56/83/907025683.db2.gz MYRVKNWYBTZGNR-QFIPXVFZSA-N 2 2 397.519 3.526 20 0 GHADLP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000366041469 921293128 /nfs/dbraw/zinc/29/31/28/921293128.db2.gz SMHPQNYBSMYQHE-OAQYLSRUSA-N 2 2 395.551 3.532 20 0 GHADLP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000366041469 921293129 /nfs/dbraw/zinc/29/31/29/921293129.db2.gz SMHPQNYBSMYQHE-OAQYLSRUSA-N 2 2 395.551 3.532 20 0 GHADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000183806121 907460620 /nfs/dbraw/zinc/46/06/20/907460620.db2.gz JBJJDVUGRLXFGX-QZTJIDSGSA-N 2 2 397.519 3.510 20 0 GHADLP CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C2)CC1 ZINC000299458270 921344859 /nfs/dbraw/zinc/34/48/59/921344859.db2.gz BRPXRDRRNIXWNX-OAQYLSRUSA-N 2 2 380.536 3.516 20 0 GHADLP C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1cccs1 ZINC000631475233 907724776 /nfs/dbraw/zinc/72/47/76/907724776.db2.gz JHTGYDFYVALRFT-GCJKJVERSA-N 2 2 394.544 3.676 20 0 GHADLP C[N@H+]1CCC[C@H](CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1cccs1 ZINC000631475233 907724780 /nfs/dbraw/zinc/72/47/80/907724780.db2.gz JHTGYDFYVALRFT-GCJKJVERSA-N 2 2 394.544 3.676 20 0 GHADLP CC[C@@H](C)Oc1cccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000299499170 921380101 /nfs/dbraw/zinc/38/01/01/921380101.db2.gz RLQRCKCHCJEYEQ-QGZVFWFLSA-N 2 2 388.556 3.544 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2F)[C@H](C)C1 ZINC000190006486 908400696 /nfs/dbraw/zinc/40/06/96/908400696.db2.gz VXEBWQFIGGLEQQ-RVKKMQEKSA-N 2 2 399.938 3.533 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2F)[C@H](C)C1 ZINC000190006486 908400703 /nfs/dbraw/zinc/40/07/03/908400703.db2.gz VXEBWQFIGGLEQQ-RVKKMQEKSA-N 2 2 399.938 3.533 20 0 GHADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(Br)c3cccnc23)C[C@@H](C)O1 ZINC001177166315 908415783 /nfs/dbraw/zinc/41/57/83/908415783.db2.gz OFUTZFPVCTXFEO-HUUCEWRRSA-N 2 2 392.341 3.586 20 0 GHADLP COc1ccc2oc(C[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)cc2c1 ZINC001177236572 908477482 /nfs/dbraw/zinc/47/74/82/908477482.db2.gz ZJZVMLNTSZXCCY-UHFFFAOYSA-N 2 2 379.504 3.743 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001177967585 908816582 /nfs/dbraw/zinc/81/65/82/908816582.db2.gz JVBRKXRYVGLFCB-UHFFFAOYSA-N 2 2 390.896 3.714 20 0 GHADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC001178172195 908948727 /nfs/dbraw/zinc/94/87/27/908948727.db2.gz ZTHSZLDMEJKYGA-IRXDYDNUSA-N 2 2 387.749 3.570 20 0 GHADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Cl)ccc2Oc2ccc(Cl)cc2)C1 ZINC001178425568 909053636 /nfs/dbraw/zinc/05/36/36/909053636.db2.gz CKUQVAKVTNPZQJ-LJQANCHMSA-N 2 2 381.303 3.942 20 0 GHADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Cl)ccc2Oc2ccc(Cl)cc2)C1 ZINC001178425568 909053677 /nfs/dbraw/zinc/05/36/77/909053677.db2.gz CKUQVAKVTNPZQJ-LJQANCHMSA-N 2 2 381.303 3.942 20 0 GHADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(Cl)ccc2Oc2ccc(Cl)cc2)C1 ZINC001178425566 909054282 /nfs/dbraw/zinc/05/42/82/909054282.db2.gz CKUQVAKVTNPZQJ-IBGZPJMESA-N 2 2 381.303 3.942 20 0 GHADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(Cl)ccc2Oc2ccc(Cl)cc2)C1 ZINC001178425566 909054298 /nfs/dbraw/zinc/05/42/98/909054298.db2.gz CKUQVAKVTNPZQJ-IBGZPJMESA-N 2 2 381.303 3.942 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCOc3c(F)cccc32)c2c1OC(F)(F)O2 ZINC001178510285 909082865 /nfs/dbraw/zinc/08/28/65/909082865.db2.gz WUJFETHLZRFMPG-INIZCTEOSA-N 2 2 394.393 3.822 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CCC1 ZINC000635987718 909402312 /nfs/dbraw/zinc/40/23/12/909402312.db2.gz YJHDMDLPQBLQEE-KRWDZBQOSA-N 2 2 394.441 3.548 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CCC1 ZINC000635987718 909402319 /nfs/dbraw/zinc/40/23/19/909402319.db2.gz YJHDMDLPQBLQEE-KRWDZBQOSA-N 2 2 394.441 3.548 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000267484232 909522802 /nfs/dbraw/zinc/52/28/02/909522802.db2.gz ZRUDJSZIFMLPJW-UHFFFAOYSA-N 2 2 385.512 3.542 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ncccc3Br)CC2)cc1 ZINC001179798578 909738231 /nfs/dbraw/zinc/73/82/31/909738231.db2.gz AHUGTEHVGDWLPG-UHFFFAOYSA-N 2 2 389.341 3.669 20 0 GHADLP O=C1Nc2ccccc2C12CCC([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CC2 ZINC000268773215 910008919 /nfs/dbraw/zinc/00/89/19/910008919.db2.gz QNIMGJOBDYQSIN-UHFFFAOYSA-N 2 2 386.499 3.854 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3c[nH]nc3-c3ccccc3F)[nH+]c2)CC1 ZINC000269146367 910161003 /nfs/dbraw/zinc/16/10/03/910161003.db2.gz OAHVTEFEELBYNF-UHFFFAOYSA-N 2 2 394.498 3.753 20 0 GHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@@H](C)C1 ZINC000270405173 910552287 /nfs/dbraw/zinc/55/22/87/910552287.db2.gz ZVBXMJAWKKJJOX-UWJYYQICSA-N 2 2 393.535 3.796 20 0 GHADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@@H](C)C1 ZINC000270405173 910552302 /nfs/dbraw/zinc/55/23/02/910552302.db2.gz ZVBXMJAWKKJJOX-UWJYYQICSA-N 2 2 393.535 3.796 20 0 GHADLP Cc1oc(-c2cccs2)nc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000270825167 910711051 /nfs/dbraw/zinc/71/10/51/910711051.db2.gz BVVIUTJUSDQGET-UHFFFAOYSA-N 2 2 388.581 3.702 20 0 GHADLP C[C@H]1CN(c2ccc(NC3CC[NH+](CCC(F)(F)F)CC3)c[nH+]2)C[C@H](C)O1 ZINC001181349536 910743869 /nfs/dbraw/zinc/74/38/69/910743869.db2.gz LHRCRSYFQHEVHQ-GJZGRUSLSA-N 2 2 386.462 3.524 20 0 GHADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cnc(-c2ccco2)s1 ZINC001181639156 910867292 /nfs/dbraw/zinc/86/72/92/910867292.db2.gz YWNJXIIMPSAOME-UHFFFAOYSA-N 2 2 396.560 3.653 20 0 GHADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cnc(-c2ccco2)s1 ZINC001181639156 910867301 /nfs/dbraw/zinc/86/73/01/910867301.db2.gz YWNJXIIMPSAOME-UHFFFAOYSA-N 2 2 396.560 3.653 20 0 GHADLP CC[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC001181944433 911095219 /nfs/dbraw/zinc/09/52/19/911095219.db2.gz DMCNOWSLCPVROW-RTBURBONSA-N 2 2 383.374 3.597 20 0 GHADLP CC[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC001181944433 911095230 /nfs/dbraw/zinc/09/52/30/911095230.db2.gz DMCNOWSLCPVROW-RTBURBONSA-N 2 2 383.374 3.597 20 0 GHADLP O[C@H](C[NH2+]CCCc1c(Cl)cccc1Cl)C[N@@H+]1CCc2ccccc2C1 ZINC001181945473 911096324 /nfs/dbraw/zinc/09/63/24/911096324.db2.gz MRXYLCGCVFTRAI-GOSISDBHSA-N 2 2 393.358 3.935 20 0 GHADLP O[C@H](C[NH2+]CCCc1c(Cl)cccc1Cl)C[N@H+]1CCc2ccccc2C1 ZINC001181945473 911096342 /nfs/dbraw/zinc/09/63/42/911096342.db2.gz MRXYLCGCVFTRAI-GOSISDBHSA-N 2 2 393.358 3.935 20 0 GHADLP CCCC[N@H+](CC)[C@H](C(=O)NCCSCc1[nH]c[nH+]c1C)c1ccccc1 ZINC001182232895 911290568 /nfs/dbraw/zinc/29/05/68/911290568.db2.gz GRZVCAKKVJPVHU-FQEVSTJZSA-N 2 2 388.581 3.931 20 0 GHADLP CCCC[N@@H+](CC)[C@H](C(=O)NCCSCc1[nH]c[nH+]c1C)c1ccccc1 ZINC001182232895 911290581 /nfs/dbraw/zinc/29/05/81/911290581.db2.gz GRZVCAKKVJPVHU-FQEVSTJZSA-N 2 2 388.581 3.931 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000248135831 911752684 /nfs/dbraw/zinc/75/26/84/911752684.db2.gz PBASHRJRVZCDHM-YSZBQJHXSA-N 2 2 381.564 3.913 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000248135831 911752688 /nfs/dbraw/zinc/75/26/88/911752688.db2.gz PBASHRJRVZCDHM-YSZBQJHXSA-N 2 2 381.564 3.913 20 0 GHADLP C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000284334228 911831623 /nfs/dbraw/zinc/83/16/23/911831623.db2.gz KYZXDYQHTRHRHB-MRXNPFEDSA-N 2 2 385.531 3.516 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CC2(C[C@H]2NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001183035849 912208892 /nfs/dbraw/zinc/20/88/92/912208892.db2.gz KRYZHKCSKLLUST-SGIJDJSVSA-N 2 2 396.535 3.739 20 0 GHADLP COc1ccc(C[C@@H](C)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1OC ZINC000291080060 914961928 /nfs/dbraw/zinc/96/19/28/914961928.db2.gz GLXMIKJFSORFLK-OAHLLOKOSA-N 2 2 388.474 3.889 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Cl)c1Cl ZINC000648310698 915611070 /nfs/dbraw/zinc/61/10/70/915611070.db2.gz BIWSLCPZUCDKCX-OAHLLOKOSA-N 2 2 384.351 3.542 20 0 GHADLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Cl)c1Cl ZINC000648310698 915611084 /nfs/dbraw/zinc/61/10/84/915611084.db2.gz BIWSLCPZUCDKCX-OAHLLOKOSA-N 2 2 384.351 3.542 20 0 GHADLP O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000649044074 916004143 /nfs/dbraw/zinc/00/41/43/916004143.db2.gz GICCMKPCFYFQIV-QGZVFWFLSA-N 2 2 384.549 3.662 20 0 GHADLP C[NH+](C)C1(CNC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[NH+](C)CC1 ZINC001189125530 916413242 /nfs/dbraw/zinc/41/32/42/916413242.db2.gz JMUVNAYLWZFTJB-UHFFFAOYSA-N 2 2 392.853 3.506 20 0 GHADLP C[C@H](CC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)n1cc[nH+]c1 ZINC000651054653 917398118 /nfs/dbraw/zinc/39/81/18/917398118.db2.gz ASUFENDYHDAHGI-GOSISDBHSA-N 2 2 376.504 3.879 20 0 GHADLP CCC(CC)(CNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+][C@H](C)c1ccccc1 ZINC000651338775 917588465 /nfs/dbraw/zinc/58/84/65/917588465.db2.gz OLWKYKLGCVMSIV-GOSISDBHSA-N 2 2 382.552 3.788 20 0 GHADLP Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cs1 ZINC000652354629 917879723 /nfs/dbraw/zinc/87/97/23/917879723.db2.gz DAIYFOSSQXBQOK-APWZRJJASA-N 2 2 386.565 3.582 20 0 GHADLP Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cs1 ZINC000652354629 917879729 /nfs/dbraw/zinc/87/97/29/917879729.db2.gz DAIYFOSSQXBQOK-APWZRJJASA-N 2 2 386.565 3.582 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654023543 918704838 /nfs/dbraw/zinc/70/48/38/918704838.db2.gz YZABJZLHIAYBIQ-SFTDATJTSA-N 2 2 391.519 3.740 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654023543 918704847 /nfs/dbraw/zinc/70/48/47/918704847.db2.gz YZABJZLHIAYBIQ-SFTDATJTSA-N 2 2 391.519 3.740 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902766005 922483067 /nfs/dbraw/zinc/48/30/67/922483067.db2.gz WIDZIXGJEULNHE-HTAPYJJXSA-N 2 2 390.487 3.841 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000368137424 922497786 /nfs/dbraw/zinc/49/77/86/922497786.db2.gz ZXRXZYFBBFXZET-AWEZNQCLSA-N 2 2 386.297 3.562 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000368137424 922497791 /nfs/dbraw/zinc/49/77/91/922497791.db2.gz ZXRXZYFBBFXZET-AWEZNQCLSA-N 2 2 386.297 3.562 20 0 GHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(-n2ccnc2)c1 ZINC000902915980 922599422 /nfs/dbraw/zinc/59/94/22/922599422.db2.gz CGOFOIOLZVAQCD-GOSISDBHSA-N 2 2 390.535 3.971 20 0 GHADLP CC(=O)NC1CCC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000369226268 923216761 /nfs/dbraw/zinc/21/67/61/923216761.db2.gz TWOGWHNSFQVEKS-ZOOXZOTBSA-N 2 2 391.559 3.692 20 0 GHADLP CC(=O)NC1CCC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000369226268 923216771 /nfs/dbraw/zinc/21/67/71/923216771.db2.gz TWOGWHNSFQVEKS-ZOOXZOTBSA-N 2 2 391.559 3.692 20 0 GHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C[C@H]1C ZINC000676759753 924063985 /nfs/dbraw/zinc/06/39/85/924063985.db2.gz YPVXOIUBRGYJPZ-RZUBCFFCSA-N 2 2 397.567 3.755 20 0 GHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C[C@H]1C ZINC000676759753 924063991 /nfs/dbraw/zinc/06/39/91/924063991.db2.gz YPVXOIUBRGYJPZ-RZUBCFFCSA-N 2 2 397.567 3.755 20 0 GHADLP CC(C)c1ccc([C@@H]2CCCN2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677528210 924389195 /nfs/dbraw/zinc/38/91/95/924389195.db2.gz NCIKQNNLQFGVNN-GMAHTHKFSA-N 2 2 398.595 3.825 20 0 GHADLP CC(C)c1ccc([C@@H]2CCCN2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677528210 924389206 /nfs/dbraw/zinc/38/92/06/924389206.db2.gz NCIKQNNLQFGVNN-GMAHTHKFSA-N 2 2 398.595 3.825 20 0 GHADLP O=C1[C@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000679213087 925067563 /nfs/dbraw/zinc/06/75/63/925067563.db2.gz ARYMGYDSBQJWGV-RHSMWYFYSA-N 2 2 379.291 3.632 20 0 GHADLP O=C1[C@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000679213087 925067569 /nfs/dbraw/zinc/06/75/69/925067569.db2.gz ARYMGYDSBQJWGV-RHSMWYFYSA-N 2 2 379.291 3.632 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000680215976 925397145 /nfs/dbraw/zinc/39/71/45/925397145.db2.gz SJMIESUGIJGCJD-HMXCVIKNSA-N 2 2 389.503 3.757 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000680215976 925397154 /nfs/dbraw/zinc/39/71/54/925397154.db2.gz SJMIESUGIJGCJD-HMXCVIKNSA-N 2 2 389.503 3.757 20 0 GHADLP CCC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000681215226 925763394 /nfs/dbraw/zinc/76/33/94/925763394.db2.gz HHVWJTFLARXWTD-RTWAWAEBSA-N 2 2 378.605 3.545 20 0 GHADLP CCC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000681215226 925763398 /nfs/dbraw/zinc/76/33/98/925763398.db2.gz HHVWJTFLARXWTD-RTWAWAEBSA-N 2 2 378.605 3.545 20 0 GHADLP CN(C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681999371 925978143 /nfs/dbraw/zinc/97/81/43/925978143.db2.gz YBTWXLRZXFTLRO-DYXWJJEUSA-N 2 2 392.632 3.791 20 0 GHADLP CN(C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681999371 925978153 /nfs/dbraw/zinc/97/81/53/925978153.db2.gz YBTWXLRZXFTLRO-DYXWJJEUSA-N 2 2 392.632 3.791 20 0 GHADLP CN(C(=O)NC1CCC2(CCCCC2)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682488764 926134821 /nfs/dbraw/zinc/13/48/21/926134821.db2.gz YMGDIIMVYCSDRC-OAQYLSRUSA-N 2 2 390.616 3.689 20 0 GHADLP CN(C(=O)NC1CCC2(CCCCC2)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682488764 926134823 /nfs/dbraw/zinc/13/48/23/926134823.db2.gz YMGDIIMVYCSDRC-OAQYLSRUSA-N 2 2 390.616 3.689 20 0 GHADLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@H+](Cc3csc(Cl)c3)CC2)C1=O ZINC001276208297 927446229 /nfs/dbraw/zinc/44/62/29/927446229.db2.gz VIMBKUZBKMFZDN-LJQANCHMSA-N 2 2 392.956 3.540 20 0 GHADLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@@H+](Cc3csc(Cl)c3)CC2)C1=O ZINC001276208297 927446238 /nfs/dbraw/zinc/44/62/38/927446238.db2.gz VIMBKUZBKMFZDN-LJQANCHMSA-N 2 2 392.956 3.540 20 0 GHADLP C[C@H](c1nnc(SCCc2c[nH+]cn2C)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000412982310 928068523 /nfs/dbraw/zinc/06/85/23/928068523.db2.gz IHTFYDQZLXNNIT-QGZVFWFLSA-N 2 2 396.564 3.883 20 0 GHADLP O=C1[C@@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCN1c1ccc(Cl)cc1 ZINC000543989279 928655014 /nfs/dbraw/zinc/65/50/14/928655014.db2.gz BQSSDUIWULQWJP-FQEVSTJZSA-N 2 2 386.927 3.834 20 0 GHADLP O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543989986 928656135 /nfs/dbraw/zinc/65/61/35/928656135.db2.gz JUNUKUWJAUVVCV-FQEVSTJZSA-N 2 2 395.469 3.998 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](c3cncc(F)c3)C3CC3)CC2)c1 ZINC000467312855 928948220 /nfs/dbraw/zinc/94/82/20/928948220.db2.gz KAPAXXWEVDNUHX-QHCPKHFHSA-N 2 2 382.527 3.782 20 0 GHADLP C[C@H](CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)[NH+]1CCCCC1 ZINC000467643429 929266022 /nfs/dbraw/zinc/26/60/22/929266022.db2.gz JJMFYGUJQBRGHE-DUXKGJEZSA-N 2 2 379.976 3.566 20 0 GHADLP C[C@H](CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCCC1 ZINC000467643429 929266029 /nfs/dbraw/zinc/26/60/29/929266029.db2.gz JJMFYGUJQBRGHE-DUXKGJEZSA-N 2 2 379.976 3.566 20 0 GHADLP C[C@H](C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000469397743 929847896 /nfs/dbraw/zinc/84/78/96/929847896.db2.gz OMCWWPJUMWWIAK-VIZSFHNOSA-N 2 2 394.563 3.636 20 0 GHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC[C@@H](C)[NH+]3CCCCC3)c2C1 ZINC000546157804 929915735 /nfs/dbraw/zinc/91/57/35/929915735.db2.gz VPDKNLWMFYGRSH-GOSISDBHSA-N 2 2 394.563 3.607 20 0 GHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC[C@@H](C)[NH+]3CCCCC3)c2C1 ZINC000546157804 929915738 /nfs/dbraw/zinc/91/57/38/929915738.db2.gz VPDKNLWMFYGRSH-GOSISDBHSA-N 2 2 394.563 3.607 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000469763482 930145825 /nfs/dbraw/zinc/14/58/25/930145825.db2.gz JXKRXJRAXZXTEU-IERDGZPVSA-N 2 2 378.451 3.858 20 0 GHADLP C[C@@]1(c2ccccc2)CCN(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1=O ZINC000780448583 930523331 /nfs/dbraw/zinc/52/33/31/930523331.db2.gz QOMLYKFBGSCIAL-QHCPKHFHSA-N 2 2 380.536 3.523 20 0 GHADLP C[C@H](CCC1CC1)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000470337398 930540175 /nfs/dbraw/zinc/54/01/75/930540175.db2.gz LISIEQZDZFEZJA-UIFIKXQLSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@H](CCC1CC1)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000470337398 930540182 /nfs/dbraw/zinc/54/01/82/930540182.db2.gz LISIEQZDZFEZJA-UIFIKXQLSA-N 2 2 378.605 3.544 20 0 GHADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccc2c(c1)C[NH2+]C2 ZINC000470365156 930564050 /nfs/dbraw/zinc/56/40/50/930564050.db2.gz OGAYZIPFQMLJPY-IBGZPJMESA-N 2 2 387.886 3.649 20 0 GHADLP C[N@H+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000470812279 930933697 /nfs/dbraw/zinc/93/36/97/930933697.db2.gz PDJLACKTJULTSW-GVAUOCQISA-N 2 2 389.543 3.763 20 0 GHADLP C[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000470812279 930933704 /nfs/dbraw/zinc/93/37/04/930933704.db2.gz PDJLACKTJULTSW-GVAUOCQISA-N 2 2 389.543 3.763 20 0 GHADLP C[NH+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000470812279 930933711 /nfs/dbraw/zinc/93/37/11/930933711.db2.gz PDJLACKTJULTSW-GVAUOCQISA-N 2 2 389.543 3.763 20 0 GHADLP C[NH+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000470812279 930933719 /nfs/dbraw/zinc/93/37/19/930933719.db2.gz PDJLACKTJULTSW-GVAUOCQISA-N 2 2 389.543 3.763 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@H](C2CC2)O1 ZINC000470927116 931039114 /nfs/dbraw/zinc/03/91/14/931039114.db2.gz WHMKZTRWNQZRHB-LYWNTADJSA-N 2 2 384.564 3.685 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@H](C2CC2)O1 ZINC000470927116 931039121 /nfs/dbraw/zinc/03/91/21/931039121.db2.gz WHMKZTRWNQZRHB-LYWNTADJSA-N 2 2 384.564 3.685 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@H](C2CC2)O1 ZINC000470927116 931039126 /nfs/dbraw/zinc/03/91/26/931039126.db2.gz WHMKZTRWNQZRHB-LYWNTADJSA-N 2 2 384.564 3.685 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@H](C2CC2)O1 ZINC000470927116 931039131 /nfs/dbraw/zinc/03/91/31/931039131.db2.gz WHMKZTRWNQZRHB-LYWNTADJSA-N 2 2 384.564 3.685 20 0 GHADLP CC1([NH+]2CCCC2)CCC(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000924029816 931179683 /nfs/dbraw/zinc/17/96/83/931179683.db2.gz ACIAWGDRAVQDJL-WQMHRJNTSA-N 2 2 395.551 3.721 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000782546915 931265100 /nfs/dbraw/zinc/26/51/00/931265100.db2.gz LSQNKEGUUZSFBV-HUUCEWRRSA-N 2 2 376.526 3.859 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000783031939 931390594 /nfs/dbraw/zinc/39/05/94/931390594.db2.gz MMZIMUTYXVFLPB-LJQANCHMSA-N 2 2 376.545 3.632 20 0 GHADLP CN(C(=O)CCCc1ccsc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000783527326 931572514 /nfs/dbraw/zinc/57/25/14/931572514.db2.gz AHVFBYKDJRKFOK-RTWAWAEBSA-N 2 2 391.625 3.866 20 0 GHADLP CN(C(=O)CCCc1ccsc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000783527326 931572520 /nfs/dbraw/zinc/57/25/20/931572520.db2.gz AHVFBYKDJRKFOK-RTWAWAEBSA-N 2 2 391.625 3.866 20 0 GHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(C[NH+](C)C)c1 ZINC000925905963 931951295 /nfs/dbraw/zinc/95/12/95/931951295.db2.gz MOJIWVNSCCQJKX-GOSISDBHSA-N 3 2 381.568 3.847 20 0 GHADLP Brc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2cccnc2)cc1 ZINC000926450194 932189035 /nfs/dbraw/zinc/18/90/35/932189035.db2.gz LBKZCDKYHWXMLB-APWZRJJASA-N 2 2 383.293 3.804 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C)c1ccnn1CC1CCC1 ZINC000926643456 932258714 /nfs/dbraw/zinc/25/87/14/932258714.db2.gz TXINLWYFCNHENF-WCAVRKLYSA-N 2 2 396.583 3.683 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C)c1ccnn1CC1CCC1 ZINC000926643456 932258716 /nfs/dbraw/zinc/25/87/16/932258716.db2.gz TXINLWYFCNHENF-WCAVRKLYSA-N 2 2 396.583 3.683 20 0 GHADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000558829347 932259996 /nfs/dbraw/zinc/25/99/96/932259996.db2.gz HKFXPKNFWWQZGY-IBGZPJMESA-N 2 2 395.522 3.941 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000798271692 932585136 /nfs/dbraw/zinc/58/51/36/932585136.db2.gz GLEPPHGMWYTFGL-OAHLLOKOSA-N 2 2 393.494 3.640 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@]3(C)CC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000799213840 932918811 /nfs/dbraw/zinc/91/88/11/932918811.db2.gz YVEIQYKTGSDAMC-QFIPXVFZSA-N 2 2 377.492 3.676 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@]3(C)CC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000799213840 932918815 /nfs/dbraw/zinc/91/88/15/932918815.db2.gz YVEIQYKTGSDAMC-QFIPXVFZSA-N 2 2 377.492 3.676 20 0 GHADLP C[C@H](c1cccc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000560742798 933519048 /nfs/dbraw/zinc/51/90/48/933519048.db2.gz FYIALKFLCQDDSX-XMSQKQJNSA-N 2 2 396.535 3.504 20 0 GHADLP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001116401928 933536679 /nfs/dbraw/zinc/53/66/79/933536679.db2.gz UBNBUGKVJYVAQG-GJZGRUSLSA-N 2 2 394.441 3.721 20 0 GHADLP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001116401928 933536685 /nfs/dbraw/zinc/53/66/85/933536685.db2.gz UBNBUGKVJYVAQG-GJZGRUSLSA-N 2 2 394.441 3.721 20 0 GHADLP Cc1nc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)sc1C(C)(C)C ZINC000930130492 933847447 /nfs/dbraw/zinc/84/74/47/933847447.db2.gz NJSKOOLSKCZYRM-UHFFFAOYSA-N 2 2 378.630 3.739 20 0 GHADLP CS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)C1 ZINC001117720018 933996045 /nfs/dbraw/zinc/99/60/45/933996045.db2.gz BUKANHRTMWJNCF-SJORKVTESA-N 2 2 396.626 3.529 20 0 GHADLP CS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)C1 ZINC001117720018 933996051 /nfs/dbraw/zinc/99/60/51/933996051.db2.gz BUKANHRTMWJNCF-SJORKVTESA-N 2 2 396.626 3.529 20 0 GHADLP CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000930555396 934100282 /nfs/dbraw/zinc/10/02/82/934100282.db2.gz NEJQCXBPZQGDQX-GOSISDBHSA-N 2 2 393.535 3.797 20 0 GHADLP CC(=O)c1ccccc1OCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000562060156 934666056 /nfs/dbraw/zinc/66/60/56/934666056.db2.gz PCBNEXIGMYKRJX-VXKWHMMOSA-N 2 2 378.516 3.722 20 0 GHADLP CC(=O)c1ccccc1OCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000562060156 934666063 /nfs/dbraw/zinc/66/60/63/934666063.db2.gz PCBNEXIGMYKRJX-VXKWHMMOSA-N 2 2 378.516 3.722 20 0 GHADLP CC(=O)c1ccccc1OCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000562060156 934666071 /nfs/dbraw/zinc/66/60/71/934666071.db2.gz PCBNEXIGMYKRJX-VXKWHMMOSA-N 2 2 378.516 3.722 20 0 GHADLP CC(=O)c1ccccc1OCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000562060156 934666076 /nfs/dbraw/zinc/66/60/76/934666076.db2.gz PCBNEXIGMYKRJX-VXKWHMMOSA-N 2 2 378.516 3.722 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)[C@H]2CCCCC23CC[NH2+]CC3)C1 ZINC001122455605 934874303 /nfs/dbraw/zinc/87/43/03/934874303.db2.gz BIUMVRSOPJKXPE-RBUKOAKNSA-N 2 2 386.584 3.904 20 0 GHADLP COC(=O)c1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001137787561 935790251 /nfs/dbraw/zinc/79/02/51/935790251.db2.gz KZMHEUJCXCILIR-AJSBUHFISA-N 2 2 393.531 3.601 20 0 GHADLP COC(=O)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001137787561 935790255 /nfs/dbraw/zinc/79/02/55/935790255.db2.gz KZMHEUJCXCILIR-AJSBUHFISA-N 2 2 393.531 3.601 20 0 GHADLP COC(=O)c1ccccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001137787561 935790258 /nfs/dbraw/zinc/79/02/58/935790258.db2.gz KZMHEUJCXCILIR-AJSBUHFISA-N 2 2 393.531 3.601 20 0 GHADLP COC(=O)c1ccccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001137787561 935790263 /nfs/dbraw/zinc/79/02/63/935790263.db2.gz KZMHEUJCXCILIR-AJSBUHFISA-N 2 2 393.531 3.601 20 0 GHADLP Cc1ccc(Cl)c(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1F ZINC001138031967 935938069 /nfs/dbraw/zinc/93/80/69/935938069.db2.gz NZTOJMOCTAWUPG-UHFFFAOYSA-N 2 2 376.907 3.638 20 0 GHADLP Cc1ccc(Cl)c(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1F ZINC001138031967 935938070 /nfs/dbraw/zinc/93/80/70/935938070.db2.gz NZTOJMOCTAWUPG-UHFFFAOYSA-N 2 2 376.907 3.638 20 0 GHADLP CC(C)C[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[NH2+][C@H](C)c1ccccc1 ZINC000545448613 1015883508 /nfs/dbraw/zinc/88/35/08/1015883508.db2.gz UGHYPNOCNANPBA-QUCCMNQESA-N 2 2 391.519 3.763 20 0 GHADLP Clc1ccc(-c2nc3c(c(-n4c[nH+]cc4C4CC[NH2+]CC4)n2)CCC3)s1 ZINC001155063674 1032399060 /nfs/dbraw/zinc/39/90/60/1032399060.db2.gz WSNFCSWBSRRSTD-UHFFFAOYSA-N 2 2 385.924 4.000 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC001204216730 1032665633 /nfs/dbraw/zinc/66/56/33/1032665633.db2.gz GXNSHPSGFQYYKF-GOSISDBHSA-N 2 2 376.447 3.813 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC001204216730 1032665637 /nfs/dbraw/zinc/66/56/37/1032665637.db2.gz GXNSHPSGFQYYKF-GOSISDBHSA-N 2 2 376.447 3.813 20 0 GHADLP Fc1ccc(F)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001204217701 1032665832 /nfs/dbraw/zinc/66/58/32/1032665832.db2.gz VJWVEMKACGMPMB-UHFFFAOYSA-N 2 2 378.488 3.893 20 0 GHADLP Fc1ccc(F)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001204217701 1032665841 /nfs/dbraw/zinc/66/58/41/1032665841.db2.gz VJWVEMKACGMPMB-UHFFFAOYSA-N 2 2 378.488 3.893 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)[C@H](C)C1 ZINC000560572948 1017662616 /nfs/dbraw/zinc/66/26/16/1017662616.db2.gz VLDINAIPCIKANX-WIYYLYMNSA-N 2 2 377.548 3.653 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)[C@H](C)C1 ZINC000560572948 1017662625 /nfs/dbraw/zinc/66/26/25/1017662625.db2.gz VLDINAIPCIKANX-WIYYLYMNSA-N 2 2 377.548 3.653 20 0 GHADLP CCC[N@H+](Cc1c(F)cncc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000929981059 1017768266 /nfs/dbraw/zinc/76/82/66/1017768266.db2.gz GBYWXLXFBZVVON-UHFFFAOYSA-N 2 2 375.467 3.648 20 0 GHADLP CCC[N@@H+](Cc1c(F)cncc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000929981059 1017768275 /nfs/dbraw/zinc/76/82/75/1017768275.db2.gz GBYWXLXFBZVVON-UHFFFAOYSA-N 2 2 375.467 3.648 20 0 GHADLP C[NH+]1CCN([C@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)c2cccs2)CC1 ZINC000562503989 1018239686 /nfs/dbraw/zinc/23/96/86/1018239686.db2.gz MFRZNHDWHJJLDF-OAHLLOKOSA-N 2 2 378.611 3.580 20 0 GHADLP C[N@H+](CC(=O)c1cccc(O[C@@H]2CCc3[nH+]ccn3C2)c1)Cc1ccccc1 ZINC001228102913 1032781622 /nfs/dbraw/zinc/78/16/22/1032781622.db2.gz JYPLAWBTJQPZPX-OAQYLSRUSA-N 2 2 375.472 3.592 20 0 GHADLP C[N@@H+](CC(=O)c1cccc(O[C@@H]2CCc3[nH+]ccn3C2)c1)Cc1ccccc1 ZINC001228102913 1032781640 /nfs/dbraw/zinc/78/16/40/1032781640.db2.gz JYPLAWBTJQPZPX-OAQYLSRUSA-N 2 2 375.472 3.592 20 0 GHADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)cs2)c(OC)c1 ZINC000565159531 1019169837 /nfs/dbraw/zinc/16/98/37/1019169837.db2.gz ZHCPYGLWOGAXGU-CQSZACIVSA-N 2 2 384.505 3.550 20 0 GHADLP COc1ccc(-c2nc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)cs2)c(OC)c1 ZINC000565159531 1019169844 /nfs/dbraw/zinc/16/98/44/1019169844.db2.gz ZHCPYGLWOGAXGU-CQSZACIVSA-N 2 2 384.505 3.550 20 0 GHADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000779007490 1020180192 /nfs/dbraw/zinc/18/01/92/1020180192.db2.gz FLQFLOWVFMQFNW-AZUAARDMSA-N 2 2 384.524 3.714 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(F)cc4C(F)(F)F)C[C@H]3C2)cn1 ZINC001204481662 1032917248 /nfs/dbraw/zinc/91/72/48/1032917248.db2.gz VWFZARQFLMHJEB-NVXWUHKLSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(F)cc4C(F)(F)F)C[C@H]3C2)cn1 ZINC001204481662 1032917249 /nfs/dbraw/zinc/91/72/49/1032917249.db2.gz VWFZARQFLMHJEB-NVXWUHKLSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(F)cc4C(F)(F)F)C[C@H]3C2)cn1 ZINC001204481662 1032917251 /nfs/dbraw/zinc/91/72/51/1032917251.db2.gz VWFZARQFLMHJEB-NVXWUHKLSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(F)cc4C(F)(F)F)C[C@H]3C2)cn1 ZINC001204481662 1032917252 /nfs/dbraw/zinc/91/72/52/1032917252.db2.gz VWFZARQFLMHJEB-NVXWUHKLSA-N 2 2 396.432 3.532 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])c3c(F)cccc3F)cc2)C1 ZINC000645500678 1021123531 /nfs/dbraw/zinc/12/35/31/1021123531.db2.gz HYWBYTNZCHTCFS-QVKFZJNVSA-N 2 2 387.474 3.513 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])c3c(F)cccc3F)cc2)C1 ZINC000645500678 1021123538 /nfs/dbraw/zinc/12/35/38/1021123538.db2.gz HYWBYTNZCHTCFS-QVKFZJNVSA-N 2 2 387.474 3.513 20 0 GHADLP CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647815136 1021151250 /nfs/dbraw/zinc/15/12/50/1021151250.db2.gz QNFTYGKFUWQOHU-JOCHJYFZSA-N 2 2 383.580 3.864 20 0 GHADLP CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647815136 1021151253 /nfs/dbraw/zinc/15/12/53/1021151253.db2.gz QNFTYGKFUWQOHU-JOCHJYFZSA-N 2 2 383.580 3.864 20 0 GHADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2cncc(Br)c2)cc1 ZINC000903566296 1021613937 /nfs/dbraw/zinc/61/39/37/1021613937.db2.gz OMWUCEVXGNZTGH-LPHOPBHVSA-N 2 2 390.325 3.732 20 0 GHADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2c2cncc(Br)c2)cc1 ZINC000903566296 1021613943 /nfs/dbraw/zinc/61/39/43/1021613943.db2.gz OMWUCEVXGNZTGH-LPHOPBHVSA-N 2 2 390.325 3.732 20 0 GHADLP CN(C(=O)Cc1cc2ccccc2o1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677289835 1021813251 /nfs/dbraw/zinc/81/32/51/1021813251.db2.gz FHGDMFLYDPFRGK-FGZHOGPDSA-N 2 2 397.563 3.771 20 0 GHADLP CN(C(=O)Cc1cc2ccccc2o1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677289835 1021813259 /nfs/dbraw/zinc/81/32/59/1021813259.db2.gz FHGDMFLYDPFRGK-FGZHOGPDSA-N 2 2 397.563 3.771 20 0 GHADLP C[C@@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000835288515 1022006766 /nfs/dbraw/zinc/00/67/66/1022006766.db2.gz ZASWZNXSXOPHAU-AUSIDOKSSA-N 2 2 389.499 3.999 20 0 GHADLP C[C@@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000835288515 1022006778 /nfs/dbraw/zinc/00/67/78/1022006778.db2.gz ZASWZNXSXOPHAU-AUSIDOKSSA-N 2 2 389.499 3.999 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC001204755059 1033067927 /nfs/dbraw/zinc/06/79/27/1033067927.db2.gz DFQIKXJEAXZVKG-CHWSQXEVSA-N 2 2 378.294 3.606 20 0 GHADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2C)CC1 ZINC001140963816 1023023083 /nfs/dbraw/zinc/02/30/83/1023023083.db2.gz IMDOVUDNGSXMTB-SFHVURJKSA-N 2 2 386.458 3.969 20 0 GHADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2C)CC1 ZINC001140963816 1023023101 /nfs/dbraw/zinc/02/31/01/1023023101.db2.gz IMDOVUDNGSXMTB-SFHVURJKSA-N 2 2 386.458 3.969 20 0 GHADLP CN(C(=O)NC/C=C\c1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755059335 1023051404 /nfs/dbraw/zinc/05/14/04/1023051404.db2.gz LLWPBBWEJOWRSX-FFBYCIDVSA-N 2 2 398.595 3.678 20 0 GHADLP CN(C(=O)NC/C=C\c1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755059335 1023051416 /nfs/dbraw/zinc/05/14/16/1023051416.db2.gz LLWPBBWEJOWRSX-FFBYCIDVSA-N 2 2 398.595 3.678 20 0 GHADLP CN(C(=O)/C=C\c1ccsc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755203068 1023124320 /nfs/dbraw/zinc/12/43/20/1023124320.db2.gz DKWAUFCCDJEEFX-PXNYIJGASA-N 2 2 375.582 3.557 20 0 GHADLP CN(C(=O)/C=C\c1ccsc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755203068 1023124330 /nfs/dbraw/zinc/12/43/30/1023124330.db2.gz DKWAUFCCDJEEFX-PXNYIJGASA-N 2 2 375.582 3.557 20 0 GHADLP C[C@H](c1ccccc1)n1cnn(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755773922 1023371313 /nfs/dbraw/zinc/37/13/13/1023371313.db2.gz CUMGCLWVHBIGHN-YLJYHZDGSA-N 2 2 385.581 3.645 20 0 GHADLP C[C@H](c1ccccc1)n1cnn(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755773922 1023371320 /nfs/dbraw/zinc/37/13/20/1023371320.db2.gz CUMGCLWVHBIGHN-YLJYHZDGSA-N 2 2 385.581 3.645 20 0 GHADLP Cc1nn(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(=S)n1-c1ccccc1C ZINC000755781330 1023375344 /nfs/dbraw/zinc/37/53/44/1023375344.db2.gz ULPAWAPNYXSUCK-LJQANCHMSA-N 2 2 385.581 3.641 20 0 GHADLP Cc1nn(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(=S)n1-c1ccccc1C ZINC000755781330 1023375357 /nfs/dbraw/zinc/37/53/57/1023375357.db2.gz ULPAWAPNYXSUCK-LJQANCHMSA-N 2 2 385.581 3.641 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc3c2cnn3[C@H]2CCCCO2)C1 ZINC001204898654 1033154515 /nfs/dbraw/zinc/15/45/15/1033154515.db2.gz YXKIQRJDOGFROO-WZONZLPQSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc3c2cnn3[C@H]2CCCCO2)C1 ZINC001204898654 1033154519 /nfs/dbraw/zinc/15/45/19/1033154519.db2.gz YXKIQRJDOGFROO-WZONZLPQSA-N 2 2 376.504 3.935 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc(O)c4ccccc24)CC3)n1 ZINC001138059787 1023965833 /nfs/dbraw/zinc/96/58/33/1023965833.db2.gz LNWWHWMLKLXLOP-UHFFFAOYSA-N 2 2 390.531 3.910 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2ccc(O)c4ccccc24)CC3)n1 ZINC001138059787 1023965837 /nfs/dbraw/zinc/96/58/37/1023965837.db2.gz LNWWHWMLKLXLOP-UHFFFAOYSA-N 2 2 390.531 3.910 20 0 GHADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138373483 1024738863 /nfs/dbraw/zinc/73/88/63/1024738863.db2.gz AXZSVUORYHZKMM-MTNREXPMSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138373483 1024738876 /nfs/dbraw/zinc/73/88/76/1024738876.db2.gz AXZSVUORYHZKMM-MTNREXPMSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)cc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138373483 1024738887 /nfs/dbraw/zinc/73/88/87/1024738887.db2.gz AXZSVUORYHZKMM-MTNREXPMSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)cc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001138373483 1024738901 /nfs/dbraw/zinc/73/89/01/1024738901.db2.gz AXZSVUORYHZKMM-MTNREXPMSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(F)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001138385055 1024754571 /nfs/dbraw/zinc/75/45/71/1024754571.db2.gz ZNPBWIGVXMSDMD-JLMWRMLUSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(F)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001138385055 1024754576 /nfs/dbraw/zinc/75/45/76/1024754576.db2.gz ZNPBWIGVXMSDMD-JLMWRMLUSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(F)c1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001138385055 1024754579 /nfs/dbraw/zinc/75/45/79/1024754579.db2.gz ZNPBWIGVXMSDMD-JLMWRMLUSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(F)c1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001138385055 1024754582 /nfs/dbraw/zinc/75/45/82/1024754582.db2.gz ZNPBWIGVXMSDMD-JLMWRMLUSA-N 2 2 383.511 3.962 20 0 GHADLP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001138411277 1024796520 /nfs/dbraw/zinc/79/65/20/1024796520.db2.gz HZHYSTUATAKLDR-UHFFFAOYSA-N 2 2 395.526 3.856 20 0 GHADLP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001138411277 1024796529 /nfs/dbraw/zinc/79/65/29/1024796529.db2.gz HZHYSTUATAKLDR-UHFFFAOYSA-N 2 2 395.526 3.856 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C(F)(F)F)nc1C)C2 ZINC001141428722 1025020118 /nfs/dbraw/zinc/02/01/18/1025020118.db2.gz RYTAYHUPPRVJMA-QUCCMNQESA-N 2 2 397.485 3.589 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C(F)(F)F)nc1C)C2 ZINC001141428722 1025020130 /nfs/dbraw/zinc/02/01/30/1025020130.db2.gz RYTAYHUPPRVJMA-QUCCMNQESA-N 2 2 397.485 3.589 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C(F)(F)F)nc1C)C2 ZINC001141428722 1025020143 /nfs/dbraw/zinc/02/01/43/1025020143.db2.gz RYTAYHUPPRVJMA-QUCCMNQESA-N 2 2 397.485 3.589 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C(F)(F)F)nc1C)C2 ZINC001141428722 1025020155 /nfs/dbraw/zinc/02/01/55/1025020155.db2.gz RYTAYHUPPRVJMA-QUCCMNQESA-N 2 2 397.485 3.589 20 0 GHADLP Fc1ccc(-n2cc(C[N@@H+]3C[C@H]4C[C@H](C[NH+](Cc5ccco5)C4)C3)cn2)cc1 ZINC001138648825 1025161072 /nfs/dbraw/zinc/16/10/72/1025161072.db2.gz DPRNCMRLZVPKKL-HDICACEKSA-N 2 2 380.467 3.558 20 0 GHADLP Fc1ccc(-n2cc(C[N@H+]3C[C@H]4C[C@H](C[NH+](Cc5ccco5)C4)C3)cn2)cc1 ZINC001138648825 1025161077 /nfs/dbraw/zinc/16/10/77/1025161077.db2.gz DPRNCMRLZVPKKL-HDICACEKSA-N 2 2 380.467 3.558 20 0 GHADLP Fc1ccc(-n2cc(C[NH+]3C[C@H]4C[C@@H](C3)C[N@H+](Cc3ccco3)C4)cn2)cc1 ZINC001138648825 1025161083 /nfs/dbraw/zinc/16/10/83/1025161083.db2.gz DPRNCMRLZVPKKL-HDICACEKSA-N 2 2 380.467 3.558 20 0 GHADLP Fc1ccc(-n2cc(C[NH+]3C[C@H]4C[C@@H](C3)C[N@@H+](Cc3ccco3)C4)cn2)cc1 ZINC001138648825 1025161088 /nfs/dbraw/zinc/16/10/88/1025161088.db2.gz DPRNCMRLZVPKKL-HDICACEKSA-N 2 2 380.467 3.558 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc4nc(C)ccc4c3)CC2)CC1 ZINC001141475431 1025165638 /nfs/dbraw/zinc/16/56/38/1025165638.db2.gz HJTSDRORDVELFI-UHFFFAOYSA-N 2 2 395.547 3.783 20 0 GHADLP c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001138767806 1025337767 /nfs/dbraw/zinc/33/77/67/1025337767.db2.gz QOWPXTYYSVKJAR-DQEYMECFSA-N 2 2 386.543 3.885 20 0 GHADLP c1nn(Cc2ccccc2)cc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001138767806 1025337777 /nfs/dbraw/zinc/33/77/77/1025337777.db2.gz QOWPXTYYSVKJAR-DQEYMECFSA-N 2 2 386.543 3.885 20 0 GHADLP c1nn(Cc2ccccc2)cc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001138767806 1025337794 /nfs/dbraw/zinc/33/77/94/1025337794.db2.gz QOWPXTYYSVKJAR-DQEYMECFSA-N 2 2 386.543 3.885 20 0 GHADLP c1nn(Cc2ccccc2)cc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001138767806 1025337805 /nfs/dbraw/zinc/33/78/05/1025337805.db2.gz QOWPXTYYSVKJAR-DQEYMECFSA-N 2 2 386.543 3.885 20 0 GHADLP COC(=O)c1cccc([C@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001139060243 1025849294 /nfs/dbraw/zinc/84/92/94/1025849294.db2.gz QXIDXWWGEGROCY-HSZRJFAPSA-N 2 2 394.515 3.643 20 0 GHADLP COC(=O)c1cccc([C@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001139060243 1025849311 /nfs/dbraw/zinc/84/93/11/1025849311.db2.gz QXIDXWWGEGROCY-HSZRJFAPSA-N 2 2 394.515 3.643 20 0 GHADLP COc1cccc([C@H]2CSCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001139060756 1025851365 /nfs/dbraw/zinc/85/13/65/1025851365.db2.gz XGNJLIHLVYKNMO-HSZRJFAPSA-N 2 2 398.572 3.818 20 0 GHADLP COc1cccc([C@H]2CSCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001139060756 1025851385 /nfs/dbraw/zinc/85/13/85/1025851385.db2.gz XGNJLIHLVYKNMO-HSZRJFAPSA-N 2 2 398.572 3.818 20 0 GHADLP Cc1ccc(N(c2cc(-c3ccc(C[NH3+])cc3)nn(C)c2=O)C(C)(C)C)[nH+]c1C ZINC001162886454 1025953826 /nfs/dbraw/zinc/95/38/26/1025953826.db2.gz HUXWNLRNEJPUJC-UHFFFAOYSA-N 2 2 391.519 3.854 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)C(F)(F)F)c2)[C@H](C)C1 ZINC000839561897 1026060371 /nfs/dbraw/zinc/06/03/71/1026060371.db2.gz REKWARCWWQUUDW-QAPCUYQASA-N 2 2 386.458 3.658 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)C(F)(F)F)c2)[C@H](C)C1 ZINC000839561897 1026060387 /nfs/dbraw/zinc/06/03/87/1026060387.db2.gz REKWARCWWQUUDW-QAPCUYQASA-N 2 2 386.458 3.658 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc4cc(O)ccc4c3)CC2)CC1 ZINC001139336505 1026198037 /nfs/dbraw/zinc/19/80/37/1026198037.db2.gz QETQIOULQWCNOB-UHFFFAOYSA-N 2 2 396.531 3.785 20 0 GHADLP Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C3)CC2=O)s1 ZINC001139359934 1026233119 /nfs/dbraw/zinc/23/31/19/1026233119.db2.gz OATAOTIWEWMVOT-QFIPXVFZSA-N 2 2 392.528 3.871 20 0 GHADLP Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C3)CC2=O)s1 ZINC001139359934 1026233129 /nfs/dbraw/zinc/23/31/29/1026233129.db2.gz OATAOTIWEWMVOT-QFIPXVFZSA-N 2 2 392.528 3.871 20 0 GHADLP CC(C)(C)OC(=O)NC[C@]1(C)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139363834 1026240271 /nfs/dbraw/zinc/24/02/71/1026240271.db2.gz KSJJFNYVUUSTHH-QFIPXVFZSA-N 2 2 384.524 3.999 20 0 GHADLP CC(C)(C)OC(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139363834 1026240278 /nfs/dbraw/zinc/24/02/78/1026240278.db2.gz KSJJFNYVUUSTHH-QFIPXVFZSA-N 2 2 384.524 3.999 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)[NH+]1CCCC[C@H]1C ZINC001141693760 1026270834 /nfs/dbraw/zinc/27/08/34/1026270834.db2.gz DEUUBCPKCYZEIB-HLIPFELVSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)[NH+]1CCCC[C@H]1C ZINC001141693760 1026270849 /nfs/dbraw/zinc/27/08/49/1026270849.db2.gz DEUUBCPKCYZEIB-HLIPFELVSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1)[N@@H+]1CCCC[C@H]1C ZINC001141693760 1026270863 /nfs/dbraw/zinc/27/08/63/1026270863.db2.gz DEUUBCPKCYZEIB-HLIPFELVSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1)[N@H+]1CCCC[C@H]1C ZINC001141693760 1026270877 /nfs/dbraw/zinc/27/08/77/1026270877.db2.gz DEUUBCPKCYZEIB-HLIPFELVSA-N 2 2 377.960 3.684 20 0 GHADLP c1cc2n(c1)CC[N@@H+](Cc1ccccc1N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001139512879 1026367814 /nfs/dbraw/zinc/36/78/14/1026367814.db2.gz JXZRVPGJYKQCRR-UHFFFAOYSA-N 2 2 386.543 3.826 20 0 GHADLP c1cc2n(c1)CC[N@H+](Cc1ccccc1N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001139512879 1026367818 /nfs/dbraw/zinc/36/78/18/1026367818.db2.gz JXZRVPGJYKQCRR-UHFFFAOYSA-N 2 2 386.543 3.826 20 0 GHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001164200057 1026449374 /nfs/dbraw/zinc/44/93/74/1026449374.db2.gz ZWQUBJWTPMZYMP-UHFFFAOYSA-N 2 2 390.487 3.668 20 0 GHADLP CC(C)Cn1cnc2c1c1ccccc1nc2NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164206833 1026452518 /nfs/dbraw/zinc/45/25/18/1026452518.db2.gz GLCQFJDLTKCDAO-UHFFFAOYSA-N 2 2 394.567 3.678 20 0 GHADLP Cc1nc2sc3c(c2c(NCC2([NH+](C)C)CC[NH+](C)CC2)n1)CC[C@H](C)C3 ZINC001164210248 1026453273 /nfs/dbraw/zinc/45/32/73/1026453273.db2.gz BEYJHSGCBYYCLY-AWEZNQCLSA-N 2 2 387.597 3.562 20 0 GHADLP CCOc1ccncc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001139629207 1026497044 /nfs/dbraw/zinc/49/70/44/1026497044.db2.gz BXGPUZQMZSUKPH-YUXAGFNASA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ccncc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001139629207 1026497049 /nfs/dbraw/zinc/49/70/49/1026497049.db2.gz BXGPUZQMZSUKPH-YUXAGFNASA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ccncc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001139629207 1026497066 /nfs/dbraw/zinc/49/70/66/1026497066.db2.gz BXGPUZQMZSUKPH-YUXAGFNASA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ccncc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001139629207 1026497070 /nfs/dbraw/zinc/49/70/70/1026497070.db2.gz BXGPUZQMZSUKPH-YUXAGFNASA-N 2 2 380.536 3.608 20 0 GHADLP COc1cc2[nH+]c(N3CCC(C[NH3+])(c4ccccc4)CC3)ccc2c(OC)c1 ZINC001164442723 1026514668 /nfs/dbraw/zinc/51/46/68/1026514668.db2.gz GLMUUVZWIYUZDS-UHFFFAOYSA-N 2 2 377.488 3.749 20 0 GHADLP C[C@H](c1nnc(SC[C@H]2CCC[N@@H+]2C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC001164463511 1026518227 /nfs/dbraw/zinc/51/82/27/1026518227.db2.gz GCBIJBQXDFGPNB-CZUORRHYSA-N 2 2 379.961 3.730 20 0 GHADLP C[C@H](c1nnc(SC[C@H]2CCC[N@H+]2C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC001164463511 1026518231 /nfs/dbraw/zinc/51/82/31/1026518231.db2.gz GCBIJBQXDFGPNB-CZUORRHYSA-N 2 2 379.961 3.730 20 0 GHADLP COC(=O)C[C@@H](c1cc[nH+]c(N2CCC(C3CC[NH+](C)CC3)CC2)c1)C1CC1 ZINC001165067532 1026585680 /nfs/dbraw/zinc/58/56/80/1026585680.db2.gz RJMOPJWPRIEHIK-OAQYLSRUSA-N 2 2 385.552 3.697 20 0 GHADLP Fc1ccc(C[C@@H]2CCC[N@@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001139766962 1026604684 /nfs/dbraw/zinc/60/46/84/1026604684.db2.gz ZYDHAQKHHVEYNI-QHCPKHFHSA-N 2 2 398.522 3.744 20 0 GHADLP Fc1ccc(C[C@@H]2CCC[N@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001139766962 1026604689 /nfs/dbraw/zinc/60/46/89/1026604689.db2.gz ZYDHAQKHHVEYNI-QHCPKHFHSA-N 2 2 398.522 3.744 20 0 GHADLP COc1cc(OC)c(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1Br ZINC001139864011 1026677741 /nfs/dbraw/zinc/67/77/41/1026677741.db2.gz VLNLVENHDMBRGN-UHFFFAOYSA-N 2 2 385.346 3.771 20 0 GHADLP COc1cc(OC)c(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1Br ZINC001139864011 1026677750 /nfs/dbraw/zinc/67/77/50/1026677750.db2.gz VLNLVENHDMBRGN-UHFFFAOYSA-N 2 2 385.346 3.771 20 0 GHADLP COc1cc2[nH+]c(N([C@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)ccc2c(OC)c1 ZINC001165672190 1026792186 /nfs/dbraw/zinc/79/21/86/1026792186.db2.gz QDTKUQSMXZRQIW-MRXNPFEDSA-N 2 2 399.535 3.768 20 0 GHADLP C[C@@H](C[NH2+]Cc1cc(Br)sc1Br)Cn1cc[nH+]c1 ZINC001461155561 1069416732 /nfs/dbraw/zinc/41/67/32/1069416732.db2.gz ICMHUIGJCUUPQZ-VIFPVBQESA-N 2 2 393.148 3.896 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccco3)C[C@@H]21 ZINC001140025022 1026812343 /nfs/dbraw/zinc/81/23/43/1026812343.db2.gz LMQXEVKFLIVLOG-CTNGQTDRSA-N 2 2 390.487 3.510 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 ZINC001140028558 1026816888 /nfs/dbraw/zinc/81/68/88/1026816888.db2.gz WWWBQNZMOCWQAA-UHFFFAOYSA-N 2 2 382.508 3.670 20 0 GHADLP Cc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c(C)cc1I ZINC001461157648 1069417893 /nfs/dbraw/zinc/41/78/93/1069417893.db2.gz RFAJCRSIDITFKK-LBPRGKRZSA-N 2 2 383.277 3.530 20 0 GHADLP CNc1ccc(C)cc1C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001461162824 1069420283 /nfs/dbraw/zinc/42/02/83/1069420283.db2.gz XHWZAKWFZALYKY-UHFFFAOYSA-N 2 2 386.971 3.992 20 0 GHADLP CC(C)C[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1)n1cc[nH+]c1 ZINC001166815616 1027092226 /nfs/dbraw/zinc/09/22/26/1027092226.db2.gz QKWBFKILXZJZDS-VXKWHMMOSA-N 2 2 382.552 3.839 20 0 GHADLP CC(C)C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1)n1cc[nH+]c1 ZINC001166815616 1027092232 /nfs/dbraw/zinc/09/22/32/1027092232.db2.gz QKWBFKILXZJZDS-VXKWHMMOSA-N 2 2 382.552 3.839 20 0 GHADLP Fc1cccc(Cl)c1CC1CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC001166935947 1027161001 /nfs/dbraw/zinc/16/10/01/1027161001.db2.gz YOIGXVSYKUAMPG-UHFFFAOYSA-N 2 2 388.918 3.743 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(Cl)cc4Cl)C[C@@H]3C2)cn1 ZINC001203391328 1027305097 /nfs/dbraw/zinc/30/50/97/1027305097.db2.gz MULMWUYHNAXSCL-WBVHZDCISA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(Cl)cc4Cl)C[C@@H]3C2)cn1 ZINC001203391328 1027305119 /nfs/dbraw/zinc/30/51/19/1027305119.db2.gz MULMWUYHNAXSCL-WBVHZDCISA-N 2 2 379.335 3.681 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(Cl)cc4Cl)C[C@@H]3C2)cn1 ZINC001203391328 1027305163 /nfs/dbraw/zinc/30/51/63/1027305163.db2.gz MULMWUYHNAXSCL-WBVHZDCISA-N 2 2 379.335 3.681 20 0 GHADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC001461227910 1069452181 /nfs/dbraw/zinc/45/21/81/1069452181.db2.gz FMQRCYUVQCRQIN-PMACEKPBSA-N 2 2 395.547 3.893 20 0 GHADLP CCOc1ccccc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001203543014 1027421362 /nfs/dbraw/zinc/42/13/62/1027421362.db2.gz VZPZASVJTDYTPL-FSSWDIPSSA-N 2 2 382.552 3.655 20 0 GHADLP CCOc1ccccc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001203543014 1027421371 /nfs/dbraw/zinc/42/13/71/1027421371.db2.gz VZPZASVJTDYTPL-FSSWDIPSSA-N 2 2 382.552 3.655 20 0 GHADLP CCOc1ccccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001203543014 1027421376 /nfs/dbraw/zinc/42/13/76/1027421376.db2.gz VZPZASVJTDYTPL-FSSWDIPSSA-N 2 2 382.552 3.655 20 0 GHADLP CCOc1ccccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001203543014 1027421388 /nfs/dbraw/zinc/42/13/88/1027421388.db2.gz VZPZASVJTDYTPL-FSSWDIPSSA-N 2 2 382.552 3.655 20 0 GHADLP Cc1c[nH+]c(C)c(Nc2ccc(N3CCC([NH+]4CCN(C)CC4)CC3)cc2)c1 ZINC001203663229 1027515610 /nfs/dbraw/zinc/51/56/10/1027515610.db2.gz FLRSODRHGAGONZ-UHFFFAOYSA-N 2 2 379.552 3.658 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)c(OC)cc3C)CC2)C1 ZINC001203755014 1027578524 /nfs/dbraw/zinc/57/85/24/1027578524.db2.gz IBZUZNQUWRUKCM-LJQANCHMSA-N 2 2 388.552 3.552 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)c(OC)cc3C)CC2)C1 ZINC001203755014 1027578532 /nfs/dbraw/zinc/57/85/32/1027578532.db2.gz IBZUZNQUWRUKCM-LJQANCHMSA-N 2 2 388.552 3.552 20 0 GHADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1O ZINC001203868997 1027672866 /nfs/dbraw/zinc/67/28/66/1027672866.db2.gz KHNBHIQWDXHLRE-JBACZVJFSA-N 2 2 381.520 3.528 20 0 GHADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1O ZINC001203868997 1027672872 /nfs/dbraw/zinc/67/28/72/1027672872.db2.gz KHNBHIQWDXHLRE-JBACZVJFSA-N 2 2 381.520 3.528 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1O ZINC001203868997 1027672880 /nfs/dbraw/zinc/67/28/80/1027672880.db2.gz KHNBHIQWDXHLRE-JBACZVJFSA-N 2 2 381.520 3.528 20 0 GHADLP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1O ZINC001203868997 1027672886 /nfs/dbraw/zinc/67/28/86/1027672886.db2.gz KHNBHIQWDXHLRE-JBACZVJFSA-N 2 2 381.520 3.528 20 0 GHADLP CC(=O)Oc1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)cc1 ZINC001203948164 1027744733 /nfs/dbraw/zinc/74/47/33/1027744733.db2.gz HKJYZBITDCQHKH-UHFFFAOYSA-N 2 2 397.519 3.847 20 0 GHADLP CC(=O)Oc1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)cc1 ZINC001203948164 1027744753 /nfs/dbraw/zinc/74/47/53/1027744753.db2.gz HKJYZBITDCQHKH-UHFFFAOYSA-N 2 2 397.519 3.847 20 0 GHADLP Cc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)s1 ZINC001204035672 1027825796 /nfs/dbraw/zinc/82/57/96/1027825796.db2.gz PBZYHFQVPVSONC-MRXNPFEDSA-N 2 2 379.570 3.620 20 0 GHADLP Cc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)s1 ZINC001204035672 1027825813 /nfs/dbraw/zinc/82/58/13/1027825813.db2.gz PBZYHFQVPVSONC-MRXNPFEDSA-N 2 2 379.570 3.620 20 0 GHADLP Cc1nn(-c2ccccc2)c(C)c1[C@H](C[NH2+]Cc1c[nH+]c(C)n1C)C(F)(F)F ZINC001204047293 1027837128 /nfs/dbraw/zinc/83/71/28/1027837128.db2.gz BXGYURHKCZTMOV-SFHVURJKSA-N 2 2 391.441 3.967 20 0 GHADLP C[C@@H]1CCC[C@@](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)([NH+](C)C)C1 ZINC001142065196 1028010484 /nfs/dbraw/zinc/01/04/84/1028010484.db2.gz LROJLSBTIDQNFX-NQSCKRDGSA-N 2 2 391.987 3.931 20 0 GHADLP C[C@@H]1CCC[C@@](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)([NH+](C)C)C1 ZINC001142065196 1028010489 /nfs/dbraw/zinc/01/04/89/1028010489.db2.gz LROJLSBTIDQNFX-NQSCKRDGSA-N 2 2 391.987 3.931 20 0 GHADLP Fc1cc(OCC[NH+]2CCOCC2)ccc1Nc1ccccc1C[NH+]1CCCC1 ZINC001213482905 1028215767 /nfs/dbraw/zinc/21/57/67/1028215767.db2.gz BLYHNRFXQZAXQA-UHFFFAOYSA-N 2 2 399.510 3.876 20 0 GHADLP Cc1c[nH+]cc(Nc2cc3cccc4c3c(c2)C(=O)N(CC[NH+](C)C)C4=O)c1C ZINC001213534262 1028246084 /nfs/dbraw/zinc/24/60/84/1028246084.db2.gz UKYPQLYYILSSJN-UHFFFAOYSA-N 2 2 388.471 3.753 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)N(C)C2CCC([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000841866199 1028981978 /nfs/dbraw/zinc/98/19/78/1028981978.db2.gz FHQYRGAXIGKPIO-QIRNKGDASA-N 2 2 396.938 3.526 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)N(C)C2CCC([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000841866199 1028981979 /nfs/dbraw/zinc/98/19/79/1028981979.db2.gz FHQYRGAXIGKPIO-QIRNKGDASA-N 2 2 396.938 3.526 20 0 GHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400777575 1029032184 /nfs/dbraw/zinc/03/21/84/1029032184.db2.gz OPUAWJPWHZHBAO-AEFFLSMTSA-N 2 2 378.561 3.923 20 0 GHADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001142627605 1029175031 /nfs/dbraw/zinc/17/50/31/1029175031.db2.gz SERYOXITEPFWIF-VXKWHMMOSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001142627605 1029175047 /nfs/dbraw/zinc/17/50/47/1029175047.db2.gz SERYOXITEPFWIF-VXKWHMMOSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001142627605 1029175053 /nfs/dbraw/zinc/17/50/53/1029175053.db2.gz SERYOXITEPFWIF-VXKWHMMOSA-N 2 2 389.559 3.951 20 0 GHADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001142627605 1029175062 /nfs/dbraw/zinc/17/50/62/1029175062.db2.gz SERYOXITEPFWIF-VXKWHMMOSA-N 2 2 389.559 3.951 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C[C@](C)(Cc2ccccc2)CC1=O ZINC000842599629 1029406164 /nfs/dbraw/zinc/40/61/64/1029406164.db2.gz AGXRNVRUDKQBJA-HSZRJFAPSA-N 2 2 382.552 3.596 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C[C@](C)(Cc2ccccc2)CC1=O ZINC000842599629 1029406170 /nfs/dbraw/zinc/40/61/70/1029406170.db2.gz AGXRNVRUDKQBJA-HSZRJFAPSA-N 2 2 382.552 3.596 20 0 GHADLP FC1(F)CC[N@H+](Cc2cccc3n[nH]cc32)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001143091538 1029839962 /nfs/dbraw/zinc/83/99/62/1029839962.db2.gz MOIMQINZEYNYPI-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[N@@H+](Cc2cccc3n[nH]cc32)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001143091538 1029839969 /nfs/dbraw/zinc/83/99/69/1029839969.db2.gz MOIMQINZEYNYPI-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2cccc3n[nH]cc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001143091538 1029839977 /nfs/dbraw/zinc/83/99/77/1029839977.db2.gz MOIMQINZEYNYPI-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP FC1(F)CC[NH+](Cc2cccc3n[nH]cc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001143091538 1029839982 /nfs/dbraw/zinc/83/99/82/1029839982.db2.gz MOIMQINZEYNYPI-NRFANRHFSA-N 2 2 397.473 3.691 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)C1 ZINC001143243905 1029944035 /nfs/dbraw/zinc/94/40/35/1029944035.db2.gz JDMBIQKVSCXODL-GOSISDBHSA-N 2 2 380.479 3.864 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)C1 ZINC001143243905 1029944037 /nfs/dbraw/zinc/94/40/37/1029944037.db2.gz JDMBIQKVSCXODL-GOSISDBHSA-N 2 2 380.479 3.864 20 0 GHADLP FC(F)(F)c1ccc(Cl)c(C[NH+]2CCC3(CC2)C[NH2+]CCO3)c1Cl ZINC001222207968 1030006085 /nfs/dbraw/zinc/00/60/85/1030006085.db2.gz HQABGDNPKYFTLX-UHFFFAOYSA-N 2 2 383.241 3.967 20 0 GHADLP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1cccc(C(F)(F)F)c1C)CC[NH2+]CC2 ZINC001222226785 1030019268 /nfs/dbraw/zinc/01/92/68/1030019268.db2.gz XJQXDBMLSZCOJA-QGZVFWFLSA-N 2 2 384.442 3.521 20 0 GHADLP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1cccc(C(F)(F)F)c1C)CC[NH2+]CC2 ZINC001222226785 1030019287 /nfs/dbraw/zinc/01/92/87/1030019287.db2.gz XJQXDBMLSZCOJA-QGZVFWFLSA-N 2 2 384.442 3.521 20 0 GHADLP FC(F)Oc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1OC(F)F ZINC001222271754 1030041506 /nfs/dbraw/zinc/04/15/06/1030041506.db2.gz JFAYKRBSAICRKU-SFHVURJKSA-N 2 2 376.394 3.855 20 0 GHADLP FC(F)Oc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1OC(F)F ZINC001222271754 1030041516 /nfs/dbraw/zinc/04/15/16/1030041516.db2.gz JFAYKRBSAICRKU-SFHVURJKSA-N 2 2 376.394 3.855 20 0 GHADLP Brc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c2nsnc21 ZINC001222320923 1030069948 /nfs/dbraw/zinc/06/99/48/1030069948.db2.gz OGPSEDLIQJSGAN-MRXNPFEDSA-N 2 2 381.343 3.562 20 0 GHADLP Brc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c2nsnc21 ZINC001222320923 1030069963 /nfs/dbraw/zinc/06/99/63/1030069963.db2.gz OGPSEDLIQJSGAN-MRXNPFEDSA-N 2 2 381.343 3.562 20 0 GHADLP Brc1cnc2[nH]cc(C[N@@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)c2c1 ZINC001222602063 1030226116 /nfs/dbraw/zinc/22/61/16/1030226116.db2.gz GZSARYLZQMIDQB-GOSISDBHSA-N 2 2 397.320 3.514 20 0 GHADLP Brc1cnc2[nH]cc(C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)c2c1 ZINC001222602063 1030226127 /nfs/dbraw/zinc/22/61/27/1030226127.db2.gz GZSARYLZQMIDQB-GOSISDBHSA-N 2 2 397.320 3.514 20 0 GHADLP CCSc1ncc2cccc(C[N@@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)n21 ZINC001222615789 1030240159 /nfs/dbraw/zinc/24/01/59/1030240159.db2.gz SIENAMNWPYZFCK-HXUWFJFHSA-N 2 2 378.545 3.635 20 0 GHADLP CCSc1ncc2cccc(C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)n21 ZINC001222615789 1030240174 /nfs/dbraw/zinc/24/01/74/1030240174.db2.gz SIENAMNWPYZFCK-HXUWFJFHSA-N 2 2 378.545 3.635 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218337267 1030901511 /nfs/dbraw/zinc/90/15/11/1030901511.db2.gz WGPFOHLCCTUEPD-GBXCKJPGSA-N 3 2 393.575 3.899 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218337267 1030901515 /nfs/dbraw/zinc/90/15/15/1030901515.db2.gz WGPFOHLCCTUEPD-GBXCKJPGSA-N 3 2 393.575 3.899 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2[NH2+]CCC[C@H]2C(F)(F)F)c1 ZINC001218883534 1031131652 /nfs/dbraw/zinc/13/16/52/1031131652.db2.gz LFCIBYFJJROPIE-SJORKVTESA-N 2 2 394.441 3.924 20 0 GHADLP CN(C(=O)c1coc2cc(O)ccc12)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001153503187 1031619905 /nfs/dbraw/zinc/61/99/05/1031619905.db2.gz BQNYPQBCBFZEOC-NHCUHLMSSA-N 2 2 399.535 3.548 20 0 GHADLP CN(C(=O)c1coc2cc(O)ccc12)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001153503187 1031619923 /nfs/dbraw/zinc/61/99/23/1031619923.db2.gz BQNYPQBCBFZEOC-NHCUHLMSSA-N 2 2 399.535 3.548 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CCC[C@H]3CCC(C)C)CC2)CC1 ZINC001226485865 1031977086 /nfs/dbraw/zinc/97/70/86/1031977086.db2.gz DKLIDZGWEOTEFL-UNMCSNQZSA-N 2 2 392.632 3.793 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CCC[C@H]3CCC(C)C)CC2)CC1 ZINC001226485865 1031977090 /nfs/dbraw/zinc/97/70/90/1031977090.db2.gz DKLIDZGWEOTEFL-UNMCSNQZSA-N 2 2 392.632 3.793 20 0 GHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4cccc5[nH]ccc54)CC[C@@H]3C2)cs1 ZINC001205281915 1033339121 /nfs/dbraw/zinc/33/91/21/1033339121.db2.gz IEJDQNPWRRRWIV-XMSQKQJNSA-N 2 2 396.560 3.656 20 0 GHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4cccc5[nH]ccc54)CC[C@@H]3C2)cs1 ZINC001205281915 1033339129 /nfs/dbraw/zinc/33/91/29/1033339129.db2.gz IEJDQNPWRRRWIV-XMSQKQJNSA-N 2 2 396.560 3.656 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4cccc5[nH]ccc54)CC[C@@H]3C2)cs1 ZINC001205281915 1033339141 /nfs/dbraw/zinc/33/91/41/1033339141.db2.gz IEJDQNPWRRRWIV-XMSQKQJNSA-N 2 2 396.560 3.656 20 0 GHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4cccc5[nH]ccc54)CC[C@@H]3C2)cs1 ZINC001205281915 1033339152 /nfs/dbraw/zinc/33/91/52/1033339152.db2.gz IEJDQNPWRRRWIV-XMSQKQJNSA-N 2 2 396.560 3.656 20 0 GHADLP CCN(CCn1cc[nH+]c1)c1nc(C[NH+](CC)CC)nc2sc(C)c(C)c21 ZINC001157465930 1033605792 /nfs/dbraw/zinc/60/57/92/1033605792.db2.gz BPNBZVVWHSOECK-UHFFFAOYSA-N 2 2 386.569 3.873 20 0 GHADLP FC(F)(F)C[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001206350925 1033809418 /nfs/dbraw/zinc/80/94/18/1033809418.db2.gz OKDBRWIKSYADOU-SFHVURJKSA-N 2 2 386.458 3.562 20 0 GHADLP FC(F)(F)C[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001206350925 1033809430 /nfs/dbraw/zinc/80/94/30/1033809430.db2.gz OKDBRWIKSYADOU-SFHVURJKSA-N 2 2 386.458 3.562 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(C[N@@H+]2CCCC[C@H]2C)cn1 ZINC001206496762 1033873839 /nfs/dbraw/zinc/87/38/39/1033873839.db2.gz PPUSVKMECYTGTR-LJQANCHMSA-N 2 2 395.547 3.964 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(C[N@H+]2CCCC[C@H]2C)cn1 ZINC001206496762 1033873855 /nfs/dbraw/zinc/87/38/55/1033873855.db2.gz PPUSVKMECYTGTR-LJQANCHMSA-N 2 2 395.547 3.964 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4cc(-c5ccccc5)on4)CC3)C2)co1 ZINC001206843282 1034029012 /nfs/dbraw/zinc/02/90/12/1034029012.db2.gz FWWBVWKSTMBAPW-UHFFFAOYSA-N 2 2 393.487 3.802 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4cc(-c5ccccc5)on4)CC3)C2)co1 ZINC001206843282 1034029025 /nfs/dbraw/zinc/02/90/25/1034029025.db2.gz FWWBVWKSTMBAPW-UHFFFAOYSA-N 2 2 393.487 3.802 20 0 GHADLP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1[nH+]cc3ccccn31)CC2 ZINC001207051076 1034072021 /nfs/dbraw/zinc/07/20/21/1034072021.db2.gz DMQLBQUHBLVNSG-LJQANCHMSA-N 2 2 396.560 3.651 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1[nH+]cc3ccccn31)CC2 ZINC001207051076 1034072033 /nfs/dbraw/zinc/07/20/33/1034072033.db2.gz DMQLBQUHBLVNSG-LJQANCHMSA-N 2 2 396.560 3.651 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC001207195517 1034164796 /nfs/dbraw/zinc/16/47/96/1034164796.db2.gz ADMUUBDVKMHKAK-DCEDVJGZSA-N 2 2 399.623 3.829 20 0 GHADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC001207195517 1034164799 /nfs/dbraw/zinc/16/47/99/1034164799.db2.gz ADMUUBDVKMHKAK-DCEDVJGZSA-N 2 2 399.623 3.829 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001207375910 1034319369 /nfs/dbraw/zinc/31/93/69/1034319369.db2.gz QTJMQDBSOMHONQ-JOCHJYFZSA-N 2 2 399.579 3.909 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001207375910 1034319376 /nfs/dbraw/zinc/31/93/76/1034319376.db2.gz QTJMQDBSOMHONQ-JOCHJYFZSA-N 2 2 399.579 3.909 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](CCc3cccc(Cl)c3)CC2)CC1 ZINC001207420224 1034355154 /nfs/dbraw/zinc/35/51/54/1034355154.db2.gz CONVTIFWTKGWDS-UHFFFAOYSA-N 2 2 378.944 3.622 20 0 GHADLP COC(=O)c1cccc([C@H]2C[NH2+]CCN2c2cc(C3CCCCC3)[nH+]c(C)n2)c1 ZINC001159057397 1034404783 /nfs/dbraw/zinc/40/47/83/1034404783.db2.gz DRTDRHYTLBBXHQ-OAQYLSRUSA-N 2 2 394.519 3.770 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](CCc3ccccc3Br)C2)C1 ZINC001207528974 1034432675 /nfs/dbraw/zinc/43/26/75/1034432675.db2.gz SZOQLIQCIPTFNG-FQEVSTJZSA-N 2 2 395.385 3.814 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](CCc3ccccc3Br)C2)C1 ZINC001207528974 1034432677 /nfs/dbraw/zinc/43/26/77/1034432677.db2.gz SZOQLIQCIPTFNG-FQEVSTJZSA-N 2 2 395.385 3.814 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](CCc3ccccc3Br)C2)C1 ZINC001207528974 1034432681 /nfs/dbraw/zinc/43/26/81/1034432681.db2.gz SZOQLIQCIPTFNG-FQEVSTJZSA-N 2 2 395.385 3.814 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](CCc3ccccc3Br)C2)C1 ZINC001207528974 1034432683 /nfs/dbraw/zinc/43/26/83/1034432683.db2.gz SZOQLIQCIPTFNG-FQEVSTJZSA-N 2 2 395.385 3.814 20 0 GHADLP Brc1ccc2[nH+]ccc(Nc3cccc(N4CC[NH2+]CC4)c3)c2c1 ZINC001159215666 1034489649 /nfs/dbraw/zinc/48/96/49/1034489649.db2.gz PGQMKQOQAUZWHA-UHFFFAOYSA-N 2 2 383.293 3.572 20 0 GHADLP Cc1c[nH+]c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1N1CCCC1 ZINC001159287771 1034525131 /nfs/dbraw/zinc/52/51/31/1034525131.db2.gz GAEALWWQZKNMHT-MZADTFQBSA-N 2 2 377.536 3.993 20 0 GHADLP Cc1c[nH+]c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1N1CCCC1 ZINC001159287771 1034525137 /nfs/dbraw/zinc/52/51/37/1034525137.db2.gz GAEALWWQZKNMHT-MZADTFQBSA-N 2 2 377.536 3.993 20 0 GHADLP C[N@H+](Cc1cc2ccccc2o1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001461906304 1069865651 /nfs/dbraw/zinc/86/56/51/1069865651.db2.gz ZHZFYOIZQHBUAB-UHFFFAOYSA-N 2 2 380.488 3.776 20 0 GHADLP C[N@@H+](Cc1cc2ccccc2o1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001461906304 1069865672 /nfs/dbraw/zinc/86/56/72/1069865672.db2.gz ZHZFYOIZQHBUAB-UHFFFAOYSA-N 2 2 380.488 3.776 20 0 GHADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc3cc(N(C)C)ccc3c2)CC1 ZINC001231442700 1034591438 /nfs/dbraw/zinc/59/14/38/1034591438.db2.gz UQKFFUHSHWZZSO-DEOSSOPVSA-N 2 2 381.564 3.981 20 0 GHADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc3cc(N(C)C)ccc3c2)CC1 ZINC001231442700 1034591444 /nfs/dbraw/zinc/59/14/44/1034591444.db2.gz UQKFFUHSHWZZSO-DEOSSOPVSA-N 2 2 381.564 3.981 20 0 GHADLP FC(F)(F)c1cc(Nc2ccc[nH+]c2N2CCCC2)ccc1N1CC[NH2+]CC1 ZINC001159575581 1034674832 /nfs/dbraw/zinc/67/48/32/1034674832.db2.gz DXOVELPVQTZSSG-UHFFFAOYSA-N 2 2 391.441 3.854 20 0 GHADLP Cc1nc(-n2cncn2)cc(N[C@@H]2CC[C@H](C[C@@H]3CC[C@H]([NH3+])[C@H](C)C3)C[C@@H]2C)[nH+]1 ZINC001159885997 1034774782 /nfs/dbraw/zinc/77/47/82/1034774782.db2.gz CZFNTGYNTYXKKE-QBUATURESA-N 2 2 397.571 3.736 20 0 GHADLP Fc1cccc(OCC2CC[NH2+]CC2)c1Nc1ccccc1C[NH+]1CCOCC1 ZINC001160156188 1034882649 /nfs/dbraw/zinc/88/26/49/1034882649.db2.gz GZSQRENLCRFRAU-UHFFFAOYSA-N 2 2 399.510 3.780 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208626405 1034958905 /nfs/dbraw/zinc/95/89/05/1034958905.db2.gz NGZQEYIBCHBYTB-UHFFFAOYSA-N 2 2 391.531 3.589 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208626405 1034958908 /nfs/dbraw/zinc/95/89/08/1034958908.db2.gz NGZQEYIBCHBYTB-UHFFFAOYSA-N 2 2 391.531 3.589 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc4c2OCCO4)C3)cc1 ZINC001231886751 1034968911 /nfs/dbraw/zinc/96/89/11/1034968911.db2.gz ZGZMPGXGAXVMRS-XMMPIXPASA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc4c2OCCO4)C3)cc1 ZINC001231886751 1034968913 /nfs/dbraw/zinc/96/89/13/1034968913.db2.gz ZGZMPGXGAXVMRS-XMMPIXPASA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2cccc4c2OCCO4)C3)cc1 ZINC001231886751 1034968914 /nfs/dbraw/zinc/96/89/14/1034968914.db2.gz ZGZMPGXGAXVMRS-XMMPIXPASA-N 2 2 378.516 3.946 20 0 GHADLP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2cccc4c2OCCO4)C3)cc1 ZINC001231886751 1034968919 /nfs/dbraw/zinc/96/89/19/1034968919.db2.gz ZGZMPGXGAXVMRS-XMMPIXPASA-N 2 2 378.516 3.946 20 0 GHADLP C[C@H](C[NH+]1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1)C(F)(F)F ZINC001208901211 1035080659 /nfs/dbraw/zinc/08/06/59/1035080659.db2.gz LHIYRUXZWXHIIM-CQSZACIVSA-N 2 2 393.494 3.638 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208937311 1035104695 /nfs/dbraw/zinc/10/46/95/1035104695.db2.gz RRUYATICJZVZTA-YPAWHYETSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208937311 1035104700 /nfs/dbraw/zinc/10/47/00/1035104700.db2.gz RRUYATICJZVZTA-YPAWHYETSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[NH+]2C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208937311 1035104705 /nfs/dbraw/zinc/10/47/05/1035104705.db2.gz RRUYATICJZVZTA-YPAWHYETSA-N 2 2 399.579 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[NH+]2C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208937311 1035104709 /nfs/dbraw/zinc/10/47/09/1035104709.db2.gz RRUYATICJZVZTA-YPAWHYETSA-N 2 2 399.579 3.982 20 0 GHADLP C[NH+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952781 1035125714 /nfs/dbraw/zinc/12/57/14/1035125714.db2.gz LKRRMZMNWHWGSZ-DQEYMECFSA-N 3 2 377.576 3.962 20 0 GHADLP C[NH+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952781 1035125717 /nfs/dbraw/zinc/12/57/17/1035125717.db2.gz LKRRMZMNWHWGSZ-DQEYMECFSA-N 3 2 377.576 3.962 20 0 GHADLP COc1ccc(F)cc1C[NH+]1CCC(Nc2nc(NCC3CC3)c(C)c[nH+]2)CC1 ZINC001161151648 1035159703 /nfs/dbraw/zinc/15/97/03/1035159703.db2.gz ZNAHLEIXUGUCCY-UHFFFAOYSA-N 2 2 399.514 3.831 20 0 GHADLP Clc1ccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001209081762 1035166412 /nfs/dbraw/zinc/16/64/12/1035166412.db2.gz UNKRIUPLUFLLMJ-HDICACEKSA-N 2 2 376.331 3.995 20 0 GHADLP Clc1ccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001209081762 1035166417 /nfs/dbraw/zinc/16/64/17/1035166417.db2.gz UNKRIUPLUFLLMJ-HDICACEKSA-N 2 2 376.331 3.995 20 0 GHADLP Clc1ccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001209081762 1035166421 /nfs/dbraw/zinc/16/64/21/1035166421.db2.gz UNKRIUPLUFLLMJ-HDICACEKSA-N 2 2 376.331 3.995 20 0 GHADLP Clc1ccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001209081762 1035166423 /nfs/dbraw/zinc/16/64/23/1035166423.db2.gz UNKRIUPLUFLLMJ-HDICACEKSA-N 2 2 376.331 3.995 20 0 GHADLP COc1cc2[nH+]c(C)nc(NCC3CC[NH+](CC4CCC4)CC3)c2cc1OC ZINC001161233062 1035186949 /nfs/dbraw/zinc/18/69/49/1035186949.db2.gz HIFQHJHOXDWKLA-UHFFFAOYSA-N 2 2 384.524 3.879 20 0 GHADLP CCCN(CCC)c1cc(NCC2CC[NH+](Cc3ccccn3)CC2)nc[nH+]1 ZINC001161246465 1035191274 /nfs/dbraw/zinc/19/12/74/1035191274.db2.gz QVGABGSMCSVXCS-UHFFFAOYSA-N 2 2 382.556 3.822 20 0 GHADLP CCCN(CCC)c1cc(NCC2CC[NH+](Cc3ccccn3)CC2)[nH+]cn1 ZINC001161246465 1035191278 /nfs/dbraw/zinc/19/12/78/1035191278.db2.gz QVGABGSMCSVXCS-UHFFFAOYSA-N 2 2 382.556 3.822 20 0 GHADLP CC[N@H+](C[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209317276 1035239780 /nfs/dbraw/zinc/23/97/80/1035239780.db2.gz VLVHQGDEHKAFMZ-NRFANRHFSA-N 2 2 387.568 3.765 20 0 GHADLP CC[N@@H+](C[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209317276 1035239783 /nfs/dbraw/zinc/23/97/83/1035239783.db2.gz VLVHQGDEHKAFMZ-NRFANRHFSA-N 2 2 387.568 3.765 20 0 GHADLP [NH3+]C1(CC2CCC2)CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC001161569304 1035259827 /nfs/dbraw/zinc/25/98/27/1035259827.db2.gz GXIBZRWCLVQBJM-UHFFFAOYSA-N 2 2 391.563 3.523 20 0 GHADLP [NH3+]C1(CC2CCC2)CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC001161569304 1035259834 /nfs/dbraw/zinc/25/98/34/1035259834.db2.gz GXIBZRWCLVQBJM-UHFFFAOYSA-N 2 2 391.563 3.523 20 0 GHADLP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000166673449 1035276489 /nfs/dbraw/zinc/27/64/89/1035276489.db2.gz RNJCPHYZRWLMGA-XZOQPEGZSA-N 2 2 388.515 3.732 20 0 GHADLP O=C(c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1)N1CCCC1 ZINC001209673145 1035351506 /nfs/dbraw/zinc/35/15/06/1035351506.db2.gz QXRDOSKEEUCYHF-NHCUHLMSSA-N 2 2 395.572 3.548 20 0 GHADLP Cc1cc(N2CCOCC2)[nH+]cc1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001241759837 1035680511 /nfs/dbraw/zinc/68/05/11/1035680511.db2.gz XJSJUHZMLRMZLK-UHFFFAOYSA-N 2 2 381.520 3.758 20 0 GHADLP Fc1ccc(C[C@]2(c3nc(-c4ccccc4-n4cc[nH+]c4)no3)CCC[NH2+]2)cc1 ZINC001248616735 1035993529 /nfs/dbraw/zinc/99/35/29/1035993529.db2.gz VUOMPPFRQHYRRR-QFIPXVFZSA-N 2 2 389.434 3.883 20 0 GHADLP Fc1ccc(C[NH+]2CCOCC2)c(-c2ccc(COC3CC[NH2+]CC3)cc2)c1 ZINC001243101086 1036032055 /nfs/dbraw/zinc/03/20/55/1036032055.db2.gz DFQZGQRABBVLEN-UHFFFAOYSA-N 2 2 384.495 3.594 20 0 GHADLP Fc1cc(OCC[NH+]2CCOCC2)ccc1-c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC001244135559 1036387772 /nfs/dbraw/zinc/38/77/72/1036387772.db2.gz PNNVNTAMOAEJJK-FQEVSTJZSA-N 2 2 384.495 3.671 20 0 GHADLP O[C@@H](C[NH2+]C[C@]1(F)CC[NH2+]C1)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245984313 1037108032 /nfs/dbraw/zinc/10/80/32/1037108032.db2.gz JAVRZQGONNUVBJ-ICSRJNTNSA-N 2 2 395.305 3.889 20 0 GHADLP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)s1 ZINC001246042561 1037156946 /nfs/dbraw/zinc/15/69/46/1037156946.db2.gz CKBMVCIWWUHPIT-ARFHVFGLSA-N 2 2 386.895 3.748 20 0 GHADLP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)s1 ZINC001246042561 1037156953 /nfs/dbraw/zinc/15/69/53/1037156953.db2.gz CKBMVCIWWUHPIT-ARFHVFGLSA-N 2 2 386.895 3.748 20 0 GHADLP C[C@@H](OC(C)(C)C)[C@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)C(=O)OC(C)(C)C ZINC001246079629 1037188075 /nfs/dbraw/zinc/18/80/75/1037188075.db2.gz DCUJUKNBRKMNPU-AEFFLSMTSA-N 2 2 382.589 3.802 20 0 GHADLP CCOC(=O)C[C@]1([NH2+][C@H](C)CC(c2ccccc2)c2ccccc2)CC[NH2+]C1 ZINC001246126020 1037205362 /nfs/dbraw/zinc/20/53/62/1037205362.db2.gz JUBYDCKHJJEIGZ-NTKDMRAZSA-N 2 2 380.532 3.872 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([NH2+]CC[NH2+]Cc3ccccc3)CC[C@H]2C1 ZINC001246167653 1037220205 /nfs/dbraw/zinc/22/02/05/1037220205.db2.gz DFRBUILNHCCYPG-HJOGWXRNSA-N 2 2 391.559 3.697 20 0 GHADLP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246189595 1037229230 /nfs/dbraw/zinc/22/92/30/1037229230.db2.gz OEGATVRUVRQQOK-NHTNDUFYSA-N 3 2 375.560 3.831 20 0 GHADLP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246189595 1037229240 /nfs/dbraw/zinc/22/92/40/1037229240.db2.gz OEGATVRUVRQQOK-NHTNDUFYSA-N 3 2 375.560 3.831 20 0 GHADLP COc1ccccc1CN1CC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246360821 1037320467 /nfs/dbraw/zinc/32/04/67/1037320467.db2.gz IILIUSYQZSXOGU-QNWVGRARSA-N 2 2 397.538 3.800 20 0 GHADLP COc1ccccc1C[N@@H+]1CC[C@H](N[C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246360821 1037320482 /nfs/dbraw/zinc/32/04/82/1037320482.db2.gz IILIUSYQZSXOGU-QNWVGRARSA-N 2 2 397.538 3.800 20 0 GHADLP COc1ccccc1C[N@H+]1CC[C@H](N[C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246360821 1037320497 /nfs/dbraw/zinc/32/04/97/1037320497.db2.gz IILIUSYQZSXOGU-QNWVGRARSA-N 2 2 397.538 3.800 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)C(O)(c2ccccc2)c2ccccc2)C[NH2+]1 ZINC001246410438 1037364793 /nfs/dbraw/zinc/36/47/93/1037364793.db2.gz JPFKOWLERUCBRT-DCEDVJGZSA-N 2 2 386.539 3.874 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246455239 1037416456 /nfs/dbraw/zinc/41/64/56/1037416456.db2.gz HVBJOHIGDVABPZ-QPPBQGQZSA-N 3 2 377.576 3.994 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001246455239 1037416467 /nfs/dbraw/zinc/41/64/67/1037416467.db2.gz HVBJOHIGDVABPZ-QPPBQGQZSA-N 3 2 377.576 3.994 20 0 GHADLP FC1(F)C[NH2+]CC[C@@H]1CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246487789 1037434145 /nfs/dbraw/zinc/43/41/45/1037434145.db2.gz MJPDROQKMILNKN-MXEMCNAFSA-N 3 2 377.523 3.797 20 0 GHADLP FC1(F)C[NH2+]CC[C@@H]1CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246487789 1037434153 /nfs/dbraw/zinc/43/41/53/1037434153.db2.gz MJPDROQKMILNKN-MXEMCNAFSA-N 3 2 377.523 3.797 20 0 GHADLP CCOc1ccccc1N1CC[NH+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246531188 1037463100 /nfs/dbraw/zinc/46/31/00/1037463100.db2.gz CSWGUFUGPQQWKO-VXKWHMMOSA-N 2 2 379.548 3.571 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2C[C@H](c4ccccc4)C4(C[NH2+]C4)C2)C3)cc1 ZINC001246617971 1037509779 /nfs/dbraw/zinc/50/97/79/1037509779.db2.gz FAHJDWUYBUZPBP-WSOYEBOPSA-N 3 2 387.571 3.871 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2C[C@H](c4ccccc4)C4(C[NH2+]C4)C2)C3)cc1 ZINC001246617971 1037509789 /nfs/dbraw/zinc/50/97/89/1037509789.db2.gz FAHJDWUYBUZPBP-WSOYEBOPSA-N 3 2 387.571 3.871 20 0 GHADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2C[C@H](c4ccccc4)C4(C[NH2+]C4)C2)C3)cc1 ZINC001246617971 1037509805 /nfs/dbraw/zinc/50/98/05/1037509805.db2.gz FAHJDWUYBUZPBP-WSOYEBOPSA-N 3 2 387.571 3.871 20 0 GHADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2C[C@H](c4ccccc4)C4(C[NH2+]C4)C2)C3)cc1 ZINC001246617971 1037509826 /nfs/dbraw/zinc/50/98/26/1037509826.db2.gz FAHJDWUYBUZPBP-WSOYEBOPSA-N 3 2 387.571 3.871 20 0 GHADLP c1ccc(C[C@@H]2C[C@@H]([NH+]3CCN(c4nsc5ccccc54)CC3)CC[NH2+]2)cc1 ZINC001246683103 1037545561 /nfs/dbraw/zinc/54/55/61/1037545561.db2.gz ZFXYOVAQJSNYBI-UXHICEINSA-N 2 2 392.572 3.782 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+]([C@@H]4CC[NH2+][C@@H](C(C)(C)C)C4)CC3)C2)cc1 ZINC001246747574 1037588285 /nfs/dbraw/zinc/58/82/85/1037588285.db2.gz PFYOABROXJFGIT-DHIUTWEWSA-N 3 2 399.623 3.829 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@@H]4CC[NH2+][C@@H](C(C)(C)C)C4)CC3)C2)cc1 ZINC001246747574 1037588302 /nfs/dbraw/zinc/58/83/02/1037588302.db2.gz PFYOABROXJFGIT-DHIUTWEWSA-N 3 2 399.623 3.829 20 0 GHADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)CC[NH2+]1 ZINC001246749940 1037591108 /nfs/dbraw/zinc/59/11/08/1037591108.db2.gz FKYAQCVFMGRIAS-LVCYWYKZSA-N 2 2 375.582 3.878 20 0 GHADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)CC[NH2+]1 ZINC001246749940 1037591114 /nfs/dbraw/zinc/59/11/14/1037591114.db2.gz FKYAQCVFMGRIAS-LVCYWYKZSA-N 2 2 375.582 3.878 20 0 GHADLP Clc1cccc(C[NH+]2CCN([C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)c1 ZINC001246784781 1037623752 /nfs/dbraw/zinc/62/37/52/1037623752.db2.gz ZZJDOQXERYKFQD-GOTSBHOMSA-N 2 2 383.967 3.821 20 0 GHADLP Clc1cccc(CN2CC[NH+]([C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)c1 ZINC001246784781 1037623763 /nfs/dbraw/zinc/62/37/63/1037623763.db2.gz ZZJDOQXERYKFQD-GOTSBHOMSA-N 2 2 383.967 3.821 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246793500 1037632904 /nfs/dbraw/zinc/63/29/04/1037632904.db2.gz ZXWLHLBAOHYIRC-HQRMLTQVSA-N 2 2 376.516 3.981 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246793500 1037632909 /nfs/dbraw/zinc/63/29/09/1037632909.db2.gz ZXWLHLBAOHYIRC-HQRMLTQVSA-N 2 2 376.516 3.981 20 0 GHADLP CC[N@H+](Cc1ccc(Cl)cc1Cl)C1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246911118 1037721211 /nfs/dbraw/zinc/72/12/11/1037721211.db2.gz NLWPLOHAOVJVIG-JOHJCKIYSA-N 2 2 385.335 3.888 20 0 GHADLP CC[N@@H+](Cc1ccc(Cl)cc1Cl)C1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246911118 1037721225 /nfs/dbraw/zinc/72/12/25/1037721225.db2.gz NLWPLOHAOVJVIG-JOHJCKIYSA-N 2 2 385.335 3.888 20 0 GHADLP COc1cccc2c1C[C@H]([N@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1)CO2 ZINC001246953491 1037759072 /nfs/dbraw/zinc/75/90/72/1037759072.db2.gz AQCXRGWBKNGFCC-IBGZPJMESA-N 2 2 384.495 3.700 20 0 GHADLP COc1cccc2c1C[C@H]([N@@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1)CO2 ZINC001246953491 1037759095 /nfs/dbraw/zinc/75/90/95/1037759095.db2.gz AQCXRGWBKNGFCC-IBGZPJMESA-N 2 2 384.495 3.700 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)n1 ZINC001246975448 1037799039 /nfs/dbraw/zinc/79/90/39/1037799039.db2.gz UBUCWKRJRXKMSE-SFHLNBCPSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1ccnc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)n1 ZINC001246975448 1037799056 /nfs/dbraw/zinc/79/90/56/1037799056.db2.gz UBUCWKRJRXKMSE-SFHLNBCPSA-N 2 2 384.499 3.569 20 0 GHADLP CC(C)(C)[C@@H]1C[C@H](N2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)CC[NH2+]1 ZINC001246988621 1037811914 /nfs/dbraw/zinc/81/19/14/1037811914.db2.gz IJGGYDBRBHMLRY-QYZOEREBSA-N 2 2 383.502 3.902 20 0 GHADLP CC(C)(C)[C@@H]1C[C@H](N2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)CC[NH2+]1 ZINC001246988621 1037811927 /nfs/dbraw/zinc/81/19/27/1037811927.db2.gz IJGGYDBRBHMLRY-QYZOEREBSA-N 2 2 383.502 3.902 20 0 GHADLP COC(=O)[C@@]12CC[NH2+][C@@H]1C[N@@H+](C1CCC(c3ccc(Cl)cc3)CC1)CC2 ZINC001246992774 1037814794 /nfs/dbraw/zinc/81/47/94/1037814794.db2.gz YZEVMXQMJHQDAN-LHQXJTHXSA-N 2 2 376.928 3.593 20 0 GHADLP COC(=O)[C@@]12CC[NH2+][C@@H]1C[N@H+](C1CCC(c3ccc(Cl)cc3)CC1)CC2 ZINC001246992774 1037814812 /nfs/dbraw/zinc/81/48/12/1037814812.db2.gz YZEVMXQMJHQDAN-LHQXJTHXSA-N 2 2 376.928 3.593 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4ccoc4cn3)C[C@@H]21 ZINC001232551532 1038320090 /nfs/dbraw/zinc/32/00/90/1038320090.db2.gz RAGGYNDASQYMLN-YUXAGFNASA-N 2 2 376.504 3.955 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4ccoc4cn3)C[C@@H]21 ZINC001232551532 1038320100 /nfs/dbraw/zinc/32/01/00/1038320100.db2.gz RAGGYNDASQYMLN-YUXAGFNASA-N 2 2 376.504 3.955 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4ccoc4cn3)C[C@@H]21 ZINC001232551532 1038320107 /nfs/dbraw/zinc/32/01/07/1038320107.db2.gz RAGGYNDASQYMLN-YUXAGFNASA-N 2 2 376.504 3.955 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4ccoc4cn3)C[C@@H]21 ZINC001232551532 1038320118 /nfs/dbraw/zinc/32/01/18/1038320118.db2.gz RAGGYNDASQYMLN-YUXAGFNASA-N 2 2 376.504 3.955 20 0 GHADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3ccc(Br)c(Cl)c3)no2)cc1 ZINC001247702804 1038340831 /nfs/dbraw/zinc/34/08/31/1038340831.db2.gz ZGXKJZZXROPCEZ-AWEZNQCLSA-N 2 2 393.672 3.778 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c(F)cc1F ZINC001232783071 1038550353 /nfs/dbraw/zinc/55/03/53/1038550353.db2.gz UYGALSZKCOOEIT-UHFFFAOYSA-N 2 2 376.447 3.733 20 0 GHADLP Cc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c(F)cc1F ZINC001232783071 1038550362 /nfs/dbraw/zinc/55/03/62/1038550362.db2.gz UYGALSZKCOOEIT-UHFFFAOYSA-N 2 2 376.447 3.733 20 0 GHADLP CC(C)(O)c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC001232828083 1038580652 /nfs/dbraw/zinc/58/06/52/1038580652.db2.gz YIHWZTNWMSEGTC-DEOSSOPVSA-N 2 2 379.548 3.797 20 0 GHADLP CC(C)(O)c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC001232828083 1038580660 /nfs/dbraw/zinc/58/06/60/1038580660.db2.gz YIHWZTNWMSEGTC-DEOSSOPVSA-N 2 2 379.548 3.797 20 0 GHADLP CC(C)(O)c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC001232828083 1038580669 /nfs/dbraw/zinc/58/06/69/1038580669.db2.gz YIHWZTNWMSEGTC-DEOSSOPVSA-N 2 2 379.548 3.797 20 0 GHADLP CC(C)(O)c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC001232828083 1038580677 /nfs/dbraw/zinc/58/06/77/1038580677.db2.gz YIHWZTNWMSEGTC-DEOSSOPVSA-N 2 2 379.548 3.797 20 0 GHADLP Cc1cc(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)cnc1C ZINC001233159182 1038932872 /nfs/dbraw/zinc/93/28/72/1038932872.db2.gz GFPAIMAHIIXDOW-UHFFFAOYSA-N 2 2 376.504 3.877 20 0 GHADLP Cc1cc(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)cnc1C ZINC001233159182 1038932875 /nfs/dbraw/zinc/93/28/75/1038932875.db2.gz GFPAIMAHIIXDOW-UHFFFAOYSA-N 2 2 376.504 3.877 20 0 GHADLP Cc1cc(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cnc1C ZINC001233159182 1038932878 /nfs/dbraw/zinc/93/28/78/1038932878.db2.gz GFPAIMAHIIXDOW-UHFFFAOYSA-N 2 2 376.504 3.877 20 0 GHADLP Cc1cc(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cnc1C ZINC001233159182 1038932881 /nfs/dbraw/zinc/93/28/81/1038932881.db2.gz GFPAIMAHIIXDOW-UHFFFAOYSA-N 2 2 376.504 3.877 20 0 GHADLP FC(F)(F)c1cc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cs1 ZINC001233175923 1038949578 /nfs/dbraw/zinc/94/95/78/1038949578.db2.gz SHQFVEABFHPSDG-UHFFFAOYSA-N 2 2 384.471 3.618 20 0 GHADLP CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001252765485 1039157078 /nfs/dbraw/zinc/15/70/78/1039157078.db2.gz WVWVFIVIOFVBSV-NRFANRHFSA-N 2 2 397.563 3.625 20 0 GHADLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cccc5[nH+]ccn54)CC3)C2)cc1 ZINC001233362530 1039188763 /nfs/dbraw/zinc/18/87/63/1039188763.db2.gz GJRPNTJWYTWNHC-UHFFFAOYSA-N 3 2 390.531 3.510 20 0 GHADLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc5[nH+]ccn54)CC3)C2)cc1 ZINC001233362530 1039188773 /nfs/dbraw/zinc/18/87/73/1039188773.db2.gz GJRPNTJWYTWNHC-UHFFFAOYSA-N 3 2 390.531 3.510 20 0 GHADLP O[C@]1(C[NH2+]Cc2cccc(C(F)(F)F)c2F)CC[N@H+](Cc2ccccc2)C1 ZINC001252943366 1039287213 /nfs/dbraw/zinc/28/72/13/1039287213.db2.gz KABKTJJKKSBJDC-IBGZPJMESA-N 2 2 382.401 3.571 20 0 GHADLP O[C@]1(C[NH2+]Cc2cccc(C(F)(F)F)c2F)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943366 1039287228 /nfs/dbraw/zinc/28/72/28/1039287228.db2.gz KABKTJJKKSBJDC-IBGZPJMESA-N 2 2 382.401 3.571 20 0 GHADLP O[C@]1(C[NH2+]Cc2c(F)cccc2C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001252947238 1039291007 /nfs/dbraw/zinc/29/10/07/1039291007.db2.gz YFGQRGGSUBSYKH-IBGZPJMESA-N 2 2 382.401 3.571 20 0 GHADLP O[C@]1(C[NH2+]Cc2c(F)cccc2C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001252947238 1039291021 /nfs/dbraw/zinc/29/10/21/1039291021.db2.gz YFGQRGGSUBSYKH-IBGZPJMESA-N 2 2 382.401 3.571 20 0 GHADLP CCCCC[C@H](O)C[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001253532989 1039694517 /nfs/dbraw/zinc/69/45/17/1039694517.db2.gz WZIQMVSWASQJLF-PMACEKPBSA-N 2 2 381.511 3.556 20 0 GHADLP CCCCC[C@H](O)C[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001253532989 1039694527 /nfs/dbraw/zinc/69/45/27/1039694527.db2.gz WZIQMVSWASQJLF-PMACEKPBSA-N 2 2 381.511 3.556 20 0 GHADLP CCCCC[C@H](O)C[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001253532989 1039694539 /nfs/dbraw/zinc/69/45/39/1039694539.db2.gz WZIQMVSWASQJLF-PMACEKPBSA-N 2 2 381.511 3.556 20 0 GHADLP CCCCC[C@H](O)C[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001253532989 1039694557 /nfs/dbraw/zinc/69/45/57/1039694557.db2.gz WZIQMVSWASQJLF-PMACEKPBSA-N 2 2 381.511 3.556 20 0 GHADLP COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(OC)c3)C2)c1 ZINC001234058313 1039793266 /nfs/dbraw/zinc/79/32/66/1039793266.db2.gz KEIOOPXQXPQUDW-OAQYLSRUSA-N 2 2 393.487 3.933 20 0 GHADLP COc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(OC)c3)C2)c1 ZINC001234058313 1039793272 /nfs/dbraw/zinc/79/32/72/1039793272.db2.gz KEIOOPXQXPQUDW-OAQYLSRUSA-N 2 2 393.487 3.933 20 0 GHADLP O=C(N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001254119179 1039996683 /nfs/dbraw/zinc/99/66/83/1039996683.db2.gz XCSYDRVUYFTZMH-NRFANRHFSA-N 2 2 395.551 3.744 20 0 GHADLP O=C(N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001254119179 1039996686 /nfs/dbraw/zinc/99/66/86/1039996686.db2.gz XCSYDRVUYFTZMH-NRFANRHFSA-N 2 2 395.551 3.744 20 0 GHADLP O=C(N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001254119179 1039996689 /nfs/dbraw/zinc/99/66/89/1039996689.db2.gz XCSYDRVUYFTZMH-NRFANRHFSA-N 2 2 395.551 3.744 20 0 GHADLP O=C(N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001254119179 1039996693 /nfs/dbraw/zinc/99/66/93/1039996693.db2.gz XCSYDRVUYFTZMH-NRFANRHFSA-N 2 2 395.551 3.744 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)[nH+]c1 ZINC001254311299 1040162746 /nfs/dbraw/zinc/16/27/46/1040162746.db2.gz CDQKNZSXKHXOTH-GOSISDBHSA-N 2 2 388.556 3.738 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254622123 1040394141 /nfs/dbraw/zinc/39/41/41/1040394141.db2.gz VBGADCYBJLHIAN-DNQXCXABSA-N 2 2 397.538 3.674 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254622123 1040394158 /nfs/dbraw/zinc/39/41/58/1040394158.db2.gz VBGADCYBJLHIAN-DNQXCXABSA-N 2 2 397.538 3.674 20 0 GHADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC[C@]1(C)O ZINC001235019935 1040510113 /nfs/dbraw/zinc/51/01/13/1040510113.db2.gz NNYAZQWOHFAAKM-KSSFIOAISA-N 2 2 378.314 3.618 20 0 GHADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC[C@]1(C)O ZINC001235019935 1040510130 /nfs/dbraw/zinc/51/01/30/1040510130.db2.gz NNYAZQWOHFAAKM-KSSFIOAISA-N 2 2 378.314 3.618 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]21 ZINC001254753301 1040516161 /nfs/dbraw/zinc/51/61/61/1040516161.db2.gz JFLFTCFTSGCYHC-GUDVDZBRSA-N 2 2 377.573 3.582 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]21 ZINC001254753301 1040516180 /nfs/dbraw/zinc/51/61/80/1040516180.db2.gz JFLFTCFTSGCYHC-GUDVDZBRSA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]21 ZINC001254753301 1040516201 /nfs/dbraw/zinc/51/62/01/1040516201.db2.gz JFLFTCFTSGCYHC-GUDVDZBRSA-N 2 2 377.573 3.582 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]21 ZINC001254753301 1040516219 /nfs/dbraw/zinc/51/62/19/1040516219.db2.gz JFLFTCFTSGCYHC-GUDVDZBRSA-N 2 2 377.573 3.582 20 0 GHADLP CCCC[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC1 ZINC001235026612 1040517226 /nfs/dbraw/zinc/51/72/26/1040517226.db2.gz DMFOSTXRWVILSC-UHFFFAOYSA-N 2 2 377.330 3.553 20 0 GHADLP Cc1ccc(I)c(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235038492 1040530522 /nfs/dbraw/zinc/53/05/22/1040530522.db2.gz NCDLXHGLNXEIHU-QGZVFWFLSA-N 2 2 384.305 3.708 20 0 GHADLP Cc1ccc(I)c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235038492 1040530539 /nfs/dbraw/zinc/53/05/39/1040530539.db2.gz NCDLXHGLNXEIHU-QGZVFWFLSA-N 2 2 384.305 3.708 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H]([NH+]1CCC(Oc3cc[nH+]cc3)CC1)C2 ZINC001254777912 1040536421 /nfs/dbraw/zinc/53/64/21/1040536421.db2.gz NWJPQMKARDEMAR-QGZVFWFLSA-N 2 2 387.524 3.714 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254789130 1040549115 /nfs/dbraw/zinc/54/91/15/1040549115.db2.gz OBAKHHZFJMQFMD-QZTJIDSGSA-N 2 2 387.524 3.633 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254789130 1040549135 /nfs/dbraw/zinc/54/91/35/1040549135.db2.gz OBAKHHZFJMQFMD-QZTJIDSGSA-N 2 2 387.524 3.633 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 ZINC001254798529 1040560922 /nfs/dbraw/zinc/56/09/22/1040560922.db2.gz SBMXYUQQARCTLJ-QUCCMNQESA-N 2 2 391.600 3.972 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 ZINC001254798529 1040560940 /nfs/dbraw/zinc/56/09/40/1040560940.db2.gz SBMXYUQQARCTLJ-QUCCMNQESA-N 2 2 391.600 3.972 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 ZINC001254798529 1040560948 /nfs/dbraw/zinc/56/09/48/1040560948.db2.gz SBMXYUQQARCTLJ-QUCCMNQESA-N 2 2 391.600 3.972 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 ZINC001254798529 1040560965 /nfs/dbraw/zinc/56/09/65/1040560965.db2.gz SBMXYUQQARCTLJ-QUCCMNQESA-N 2 2 391.600 3.972 20 0 GHADLP c1[nH]c2ccc(OCc3ccccc3)cc2c1C[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235117284 1040609039 /nfs/dbraw/zinc/60/90/39/1040609039.db2.gz ZVJGARAPAHKTII-XMMPIXPASA-N 2 2 391.515 3.701 20 0 GHADLP c1[nH]c2ccc(OCc3ccccc3)cc2c1C[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235117284 1040609045 /nfs/dbraw/zinc/60/90/45/1040609045.db2.gz ZVJGARAPAHKTII-XMMPIXPASA-N 2 2 391.515 3.701 20 0 GHADLP Brc1ccc2c(c1)CC1(CC[NH+]([C@@H]3CC4CC[NH+](CC4)C3)CC1)O2 ZINC001254868929 1040612592 /nfs/dbraw/zinc/61/25/92/1040612592.db2.gz RKZPCVMTZQSKOA-GOSISDBHSA-N 2 2 391.353 3.703 20 0 GHADLP [NH3+][C@@H]1[C@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3OCc3ccccc3)C[C@H]21 ZINC001235210289 1040692368 /nfs/dbraw/zinc/69/23/68/1040692368.db2.gz WDCGBZCVMGWZIZ-DZFIZOCASA-N 2 2 378.394 3.553 20 0 GHADLP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3OCc3ccccc3)C[C@H]21 ZINC001235210289 1040692378 /nfs/dbraw/zinc/69/23/78/1040692378.db2.gz WDCGBZCVMGWZIZ-DZFIZOCASA-N 2 2 378.394 3.553 20 0 GHADLP c1ccc(C[C@@H]2C[N@@H+](C[C@@H]3CCCC[NH2+]3)CC[C@@H]2OCc2ccccn2)cc1 ZINC001235258484 1040741204 /nfs/dbraw/zinc/74/12/04/1040741204.db2.gz RICVTVLGZMQVTK-GPXNEJASSA-N 2 2 379.548 3.674 20 0 GHADLP c1ccc(C[C@@H]2C[N@H+](C[C@@H]3CCCC[NH2+]3)CC[C@@H]2OCc2ccccn2)cc1 ZINC001235258484 1040741213 /nfs/dbraw/zinc/74/12/13/1040741213.db2.gz RICVTVLGZMQVTK-GPXNEJASSA-N 2 2 379.548 3.674 20 0 GHADLP CC(C)COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ncn1 ZINC001255133541 1040831910 /nfs/dbraw/zinc/83/19/10/1040831910.db2.gz UQMQKOKVVHWYBM-QQFNCUIESA-N 2 2 380.536 3.797 20 0 GHADLP CC(C)COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ncn1 ZINC001255133541 1040831918 /nfs/dbraw/zinc/83/19/18/1040831918.db2.gz UQMQKOKVVHWYBM-QQFNCUIESA-N 2 2 380.536 3.797 20 0 GHADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]42)C3)cc1 ZINC001255138438 1040843579 /nfs/dbraw/zinc/84/35/79/1040843579.db2.gz AFNQXFBAIXAEOZ-JSFAVJLPSA-N 2 2 396.575 3.840 20 0 GHADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]42)C3)cc1 ZINC001255138438 1040843585 /nfs/dbraw/zinc/84/35/85/1040843585.db2.gz AFNQXFBAIXAEOZ-JSFAVJLPSA-N 2 2 396.575 3.840 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]42)C3)cc1 ZINC001255138438 1040843588 /nfs/dbraw/zinc/84/35/88/1040843588.db2.gz AFNQXFBAIXAEOZ-JSFAVJLPSA-N 2 2 396.575 3.840 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]42)C3)cc1 ZINC001255138438 1040843594 /nfs/dbraw/zinc/84/35/94/1040843594.db2.gz AFNQXFBAIXAEOZ-JSFAVJLPSA-N 2 2 396.575 3.840 20 0 GHADLP Clc1ccc2c(C[N@@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)c[nH]c2n1 ZINC001235364893 1040854739 /nfs/dbraw/zinc/85/47/39/1040854739.db2.gz ABXROJXYJXVYTN-PGRDOPGGSA-N 2 2 380.923 3.970 20 0 GHADLP Clc1ccc2c(C[N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)c[nH]c2n1 ZINC001235364893 1040854766 /nfs/dbraw/zinc/85/47/66/1040854766.db2.gz ABXROJXYJXVYTN-PGRDOPGGSA-N 2 2 380.923 3.970 20 0 GHADLP COc1ccc2c(C[N@@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)c[nH]c2c1 ZINC001235365784 1040859817 /nfs/dbraw/zinc/85/98/17/1040859817.db2.gz PJCYBOGBHQCNIQ-YKSBVNFPSA-N 2 2 375.516 3.930 20 0 GHADLP COc1ccc2c(C[N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)c[nH]c2c1 ZINC001235365784 1040859840 /nfs/dbraw/zinc/85/98/40/1040859840.db2.gz PJCYBOGBHQCNIQ-YKSBVNFPSA-N 2 2 375.516 3.930 20 0 GHADLP Cc1cc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc[nH+]1 ZINC001255150578 1040869001 /nfs/dbraw/zinc/86/90/01/1040869001.db2.gz NSLIRPQQJNCACN-BKFWDETESA-N 3 2 376.548 3.708 20 0 GHADLP Cc1cc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc[nH+]1 ZINC001255150578 1040869013 /nfs/dbraw/zinc/86/90/13/1040869013.db2.gz NSLIRPQQJNCACN-BKFWDETESA-N 3 2 376.548 3.708 20 0 GHADLP COc1ccc(OCc2ccccc2)c(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235405729 1040917914 /nfs/dbraw/zinc/91/79/14/1040917914.db2.gz OOPWJERSICMCMH-DHIUTWEWSA-N 2 2 384.495 3.798 20 0 GHADLP COc1ccc(OCc2ccccc2)c(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235405729 1040917915 /nfs/dbraw/zinc/91/79/15/1040917915.db2.gz OOPWJERSICMCMH-DHIUTWEWSA-N 2 2 384.495 3.798 20 0 GHADLP CC(C)n1cnc2c1cc(C1CC[NH+](C[C@@H](C)[NH3+])CC1)nc2-c1cccnc1 ZINC001235440157 1040940168 /nfs/dbraw/zinc/94/01/68/1040940168.db2.gz CTFYMIQSUOJPIC-MRXNPFEDSA-N 2 2 378.524 3.601 20 0 GHADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC001462510588 1070313688 /nfs/dbraw/zinc/31/36/88/1070313688.db2.gz UGVFMLBHHXFEGH-WOJBJXKFSA-N 2 2 375.557 3.586 20 0 GHADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC001462510588 1070313708 /nfs/dbraw/zinc/31/37/08/1070313708.db2.gz UGVFMLBHHXFEGH-WOJBJXKFSA-N 2 2 375.557 3.586 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001255378120 1040970812 /nfs/dbraw/zinc/97/08/12/1040970812.db2.gz MRYGUEBUKVGZPI-NQIIRXRSSA-N 2 2 376.516 3.844 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001255378120 1040970817 /nfs/dbraw/zinc/97/08/17/1040970817.db2.gz MRYGUEBUKVGZPI-NQIIRXRSSA-N 2 2 376.516 3.844 20 0 GHADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001235552704 1040983370 /nfs/dbraw/zinc/98/33/70/1040983370.db2.gz POMFIINKTRQHBA-IRLDBZIGSA-N 2 2 385.502 3.794 20 0 GHADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001235552704 1040983379 /nfs/dbraw/zinc/98/33/79/1040983379.db2.gz POMFIINKTRQHBA-IRLDBZIGSA-N 2 2 385.502 3.794 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001235557197 1040985843 /nfs/dbraw/zinc/98/58/43/1040985843.db2.gz GEIGSGXQGWZQBZ-LHDHZVESSA-N 3 2 397.579 3.771 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001235557197 1040985845 /nfs/dbraw/zinc/98/58/45/1040985845.db2.gz GEIGSGXQGWZQBZ-LHDHZVESSA-N 3 2 397.579 3.771 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001235557197 1040985846 /nfs/dbraw/zinc/98/58/46/1040985846.db2.gz GEIGSGXQGWZQBZ-LHDHZVESSA-N 3 2 397.579 3.771 20 0 GHADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001235557197 1040985847 /nfs/dbraw/zinc/98/58/47/1040985847.db2.gz GEIGSGXQGWZQBZ-LHDHZVESSA-N 3 2 397.579 3.771 20 0 GHADLP Cc1ccnc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)c1Cl ZINC001235581502 1040997224 /nfs/dbraw/zinc/99/72/24/1040997224.db2.gz VWKXFWWVNFDEHE-QGZVFWFLSA-N 2 2 389.927 3.892 20 0 GHADLP Cc1ccnc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1Cl ZINC001235581502 1040997227 /nfs/dbraw/zinc/99/72/27/1040997227.db2.gz VWKXFWWVNFDEHE-QGZVFWFLSA-N 2 2 389.927 3.892 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCC[NH2+]C3CCCCC3)C[C@H]21 ZINC001235659871 1041109610 /nfs/dbraw/zinc/10/96/10/1041109610.db2.gz BZVFULGLKIOQBM-TUACAJSNSA-N 3 2 384.612 3.926 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCC[NH2+]C3CCCCC3)C[C@H]21 ZINC001235659871 1041109634 /nfs/dbraw/zinc/10/96/34/1041109634.db2.gz BZVFULGLKIOQBM-TUACAJSNSA-N 3 2 384.612 3.926 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CCC[NH2+]C3CCCCC3)C[C@H]21 ZINC001235659871 1041109644 /nfs/dbraw/zinc/10/96/44/1041109644.db2.gz BZVFULGLKIOQBM-TUACAJSNSA-N 3 2 384.612 3.926 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CCC[NH2+]C3CCCCC3)C[C@H]21 ZINC001235659871 1041109656 /nfs/dbraw/zinc/10/96/56/1041109656.db2.gz BZVFULGLKIOQBM-TUACAJSNSA-N 3 2 384.612 3.926 20 0 GHADLP Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001235695369 1041169942 /nfs/dbraw/zinc/16/99/42/1041169942.db2.gz RKFFRVTXRDQHAN-SFHVURJKSA-N 2 2 385.502 3.671 20 0 GHADLP FC(F)(F)c1ccc(C(F)(F)F)c(CN2CC[NH+](C3CC[NH2+]CC3)CC2)c1 ZINC001235698578 1041176445 /nfs/dbraw/zinc/17/64/45/1041176445.db2.gz JHUDVLACCXJNCR-UHFFFAOYSA-N 2 2 395.391 3.594 20 0 GHADLP COc1cc(N([C@@H](C)CSc2ccc(F)cc2)C2CC[NH2+]CC2)cc[nH+]1 ZINC001255750924 1041272778 /nfs/dbraw/zinc/27/27/78/1041272778.db2.gz JOFSNPDCJGZJOA-HNNXBMFYSA-N 2 2 375.513 3.969 20 0 GHADLP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC(F)(F)F)cc1Br ZINC001235787968 1041275635 /nfs/dbraw/zinc/27/56/35/1041275635.db2.gz HMRYROMUDFFKNM-YOGCLGLASA-N 2 2 379.220 3.802 20 0 GHADLP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC(F)(F)F)cc1Br ZINC001235787968 1041275652 /nfs/dbraw/zinc/27/56/52/1041275652.db2.gz HMRYROMUDFFKNM-YOGCLGLASA-N 2 2 379.220 3.802 20 0 GHADLP COCCC[N@H+](Cc1ccc(OC(F)(F)C(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC001235807384 1041316165 /nfs/dbraw/zinc/31/61/65/1041316165.db2.gz UQNNPQDSKIUBCS-HNNXBMFYSA-N 2 2 378.410 3.514 20 0 GHADLP COCCC[N@@H+](Cc1ccc(OC(F)(F)C(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC001235807384 1041316180 /nfs/dbraw/zinc/31/61/80/1041316180.db2.gz UQNNPQDSKIUBCS-HNNXBMFYSA-N 2 2 378.410 3.514 20 0 GHADLP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC(F)(F)F)cc1Br ZINC001235808817 1041320309 /nfs/dbraw/zinc/32/03/09/1041320309.db2.gz HMRYROMUDFFKNM-ZSBIGDGJSA-N 2 2 379.220 3.802 20 0 GHADLP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC(F)(F)F)cc1Br ZINC001235808817 1041320327 /nfs/dbraw/zinc/32/03/27/1041320327.db2.gz HMRYROMUDFFKNM-ZSBIGDGJSA-N 2 2 379.220 3.802 20 0 GHADLP CC1([NH+]2CCN(Cc3c(F)c(Cl)ccc3C(F)(F)F)CC2)CC[NH2+]CC1 ZINC001235815279 1041327992 /nfs/dbraw/zinc/32/79/92/1041327992.db2.gz KXMOWKRTWKGNLZ-UHFFFAOYSA-N 2 2 393.856 3.758 20 0 GHADLP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[NH+]1CC2(CC([NH3+])C2)C1 ZINC001235819879 1041335863 /nfs/dbraw/zinc/33/58/63/1041335863.db2.gz KAWLFWMXALIWFL-UHFFFAOYSA-N 2 2 382.291 3.575 20 0 GHADLP CC1([NH+]2CCN(Cc3cc(F)cc(C(F)(F)F)c3Cl)CC2)CC[NH2+]CC1 ZINC001235819781 1041335980 /nfs/dbraw/zinc/33/59/80/1041335980.db2.gz IKTKNQDBZSNGNY-UHFFFAOYSA-N 2 2 393.856 3.758 20 0 GHADLP CCOC(=O)c1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)nc1 ZINC001235869583 1041403408 /nfs/dbraw/zinc/40/34/08/1041403408.db2.gz JCOMCQZNCRJGIP-VABKMULXSA-N 2 2 393.531 3.869 20 0 GHADLP CCOC(=O)c1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)nc1 ZINC001235869583 1041403415 /nfs/dbraw/zinc/40/34/15/1041403415.db2.gz JCOMCQZNCRJGIP-VABKMULXSA-N 2 2 393.531 3.869 20 0 GHADLP CCOC(=O)c1ccc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)nc1 ZINC001235869583 1041403431 /nfs/dbraw/zinc/40/34/31/1041403431.db2.gz JCOMCQZNCRJGIP-VABKMULXSA-N 2 2 393.531 3.869 20 0 GHADLP CCOC(=O)c1ccc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)nc1 ZINC001235869583 1041403441 /nfs/dbraw/zinc/40/34/41/1041403441.db2.gz JCOMCQZNCRJGIP-VABKMULXSA-N 2 2 393.531 3.869 20 0 GHADLP Fc1cc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c(Cl)cc1Cl ZINC001278897181 1041417498 /nfs/dbraw/zinc/41/74/98/1041417498.db2.gz AOPLAJMDQVHYHJ-UHFFFAOYSA-N 2 2 383.298 3.954 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC001255952054 1041433755 /nfs/dbraw/zinc/43/37/55/1041433755.db2.gz SKGUEVYIZBNQHL-XMSQKQJNSA-N 2 2 388.577 3.890 20 0 GHADLP c1ccc([C@@]23C[NH2+]C[C@@H]2C[N@@H+](Cc2ccc(OC4CCCCC4)nc2)C3)cc1 ZINC001236011050 1041503604 /nfs/dbraw/zinc/50/36/04/1041503604.db2.gz ZPRIGSBFWANNFK-QPPBQGQZSA-N 2 2 377.532 3.766 20 0 GHADLP c1ccc([C@@]23C[NH2+]C[C@@H]2C[N@H+](Cc2ccc(OC4CCCCC4)nc2)C3)cc1 ZINC001236011050 1041503611 /nfs/dbraw/zinc/50/36/11/1041503611.db2.gz ZPRIGSBFWANNFK-QPPBQGQZSA-N 2 2 377.532 3.766 20 0 GHADLP CC(C)(C)OC(=O)N1Cc2ccsc2[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001256066441 1041504376 /nfs/dbraw/zinc/50/43/76/1041504376.db2.gz CPMIDFHKPIGNKN-KRWDZBQOSA-N 2 2 377.554 3.756 20 0 GHADLP Cc1cc(C[N@H+](Cc2ccccc2)Cc2ccccc2N2CC[NH2+]CC2)on1 ZINC001236071269 1041521297 /nfs/dbraw/zinc/52/12/97/1041521297.db2.gz HXNBZVIPAWORKE-UHFFFAOYSA-N 2 2 376.504 3.595 20 0 GHADLP Cc1cc(C[N@@H+](Cc2ccccc2)Cc2ccccc2N2CC[NH2+]CC2)on1 ZINC001236071269 1041521304 /nfs/dbraw/zinc/52/13/04/1041521304.db2.gz HXNBZVIPAWORKE-UHFFFAOYSA-N 2 2 376.504 3.595 20 0 GHADLP Brc1cccc2c1C[C@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)CC2 ZINC001256140176 1041577778 /nfs/dbraw/zinc/57/77/78/1041577778.db2.gz HXWCJGQQFMSCOJ-QGZVFWFLSA-N 2 2 386.337 3.960 20 0 GHADLP C[N@H+](Cc1cc(Br)cc(Br)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236211901 1041622665 /nfs/dbraw/zinc/62/26/65/1041622665.db2.gz JSZBGFKSNVCUSZ-KGLIPLIRSA-N 2 2 376.136 3.913 20 0 GHADLP C[N@@H+](Cc1cc(Br)cc(Br)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236211901 1041622670 /nfs/dbraw/zinc/62/26/70/1041622670.db2.gz JSZBGFKSNVCUSZ-KGLIPLIRSA-N 2 2 376.136 3.913 20 0 GHADLP C[N@H+](Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220088 1041628888 /nfs/dbraw/zinc/62/88/88/1041628888.db2.gz YIELPWOUXSXBFD-ZCYQVOJMSA-N 3 2 392.591 3.711 20 0 GHADLP C[N@@H+](Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220088 1041628893 /nfs/dbraw/zinc/62/88/93/1041628893.db2.gz YIELPWOUXSXBFD-ZCYQVOJMSA-N 3 2 392.591 3.711 20 0 GHADLP C[C@H](c1ccc(-c2cccc(Cl)c2C[NH+]2CCOCC2)cc1)N1CC[NH2+]CC1 ZINC001236296285 1041663709 /nfs/dbraw/zinc/66/37/09/1041663709.db2.gz XYRNNBPGSZIFPN-GOSISDBHSA-N 2 2 399.966 3.805 20 0 GHADLP COc1cc(CN(Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)ccc1-n1cc[nH+]c1 ZINC001236388072 1041693357 /nfs/dbraw/zinc/69/33/57/1041693357.db2.gz BTPAANHMJAPISF-OAQYLSRUSA-N 2 2 394.494 3.774 20 0 GHADLP C[C@H](Cc1ccccn1)[NH2+]C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001256402205 1041719971 /nfs/dbraw/zinc/71/99/71/1041719971.db2.gz FLQCGOCRGAETNA-PXDATVDWSA-N 2 2 389.543 3.666 20 0 GHADLP CC[C@H](CCC(=O)OC)C[N@H+](Cc1c(F)cc(F)cc1F)C1CC[NH2+]CC1 ZINC001236493777 1041738957 /nfs/dbraw/zinc/73/89/57/1041738957.db2.gz FDNHXWYNUVJTEU-CQSZACIVSA-N 2 2 386.458 3.637 20 0 GHADLP CC[C@H](CCC(=O)OC)C[N@@H+](Cc1c(F)cc(F)cc1F)C1CC[NH2+]CC1 ZINC001236493777 1041738962 /nfs/dbraw/zinc/73/89/62/1041738962.db2.gz FDNHXWYNUVJTEU-CQSZACIVSA-N 2 2 386.458 3.637 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CCN1C(=O)OC(C)(C)C ZINC001256464287 1041745034 /nfs/dbraw/zinc/74/50/34/1041745034.db2.gz XQVNRNVOZWYSMB-IRXDYDNUSA-N 2 2 391.531 3.864 20 0 GHADLP FC(F)(F)c1cc(O[C@H]2CCC[N@H+](CCC[NH2+]C3CCCCC3)C2)ncn1 ZINC001236537070 1041755734 /nfs/dbraw/zinc/75/57/34/1041755734.db2.gz UIAIIRRYRQBCTL-INIZCTEOSA-N 2 2 386.462 3.651 20 0 GHADLP FC(F)(F)c1cc(O[C@H]2CCC[N@@H+](CCC[NH2+]C3CCCCC3)C2)ncn1 ZINC001236537070 1041755739 /nfs/dbraw/zinc/75/57/39/1041755739.db2.gz UIAIIRRYRQBCTL-INIZCTEOSA-N 2 2 386.462 3.651 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](C2CCN(Cc3ccc(OCc4ccccc4)c(Cl)c3)CC2)C1 ZINC001236615906 1041782646 /nfs/dbraw/zinc/78/26/46/1041782646.db2.gz KJQZBDFUFINYPJ-FQEVSTJZSA-N 2 2 399.966 3.916 20 0 GHADLP [NH3+][C@H]1CC[N@H+](C2CCN(Cc3ccc(OCc4ccccc4)c(Cl)c3)CC2)C1 ZINC001236615906 1041782650 /nfs/dbraw/zinc/78/26/50/1041782650.db2.gz KJQZBDFUFINYPJ-FQEVSTJZSA-N 2 2 399.966 3.916 20 0 GHADLP Brc1cc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)oc1Br ZINC001236633322 1041794791 /nfs/dbraw/zinc/79/47/91/1041794791.db2.gz FXAQVUQCUQNLNN-UHFFFAOYSA-N 2 2 392.135 3.911 20 0 GHADLP Brc1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)oc1Br ZINC001236633322 1041794796 /nfs/dbraw/zinc/79/47/96/1041794796.db2.gz FXAQVUQCUQNLNN-UHFFFAOYSA-N 2 2 392.135 3.911 20 0 GHADLP c1cc(-c2ccc3c(C4C[NH+](Cc5cccc(-n6cncn6)c5)C4)[nH+]cn3c2)co1 ZINC001236885051 1041939940 /nfs/dbraw/zinc/93/99/40/1041939940.db2.gz NSVBKZGZCMXOMR-UHFFFAOYSA-N 2 2 396.454 3.774 20 0 GHADLP Clc1cc(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)ccc1-n1cc[nH+]c1 ZINC001236906335 1041950242 /nfs/dbraw/zinc/95/02/42/1041950242.db2.gz UYCNRDYHTIADBK-GHTZIAJQSA-N 2 2 387.911 3.686 20 0 GHADLP Clc1cc(C[N@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)ccc1-n1cc[nH+]c1 ZINC001236906335 1041950246 /nfs/dbraw/zinc/95/02/46/1041950246.db2.gz UYCNRDYHTIADBK-GHTZIAJQSA-N 2 2 387.911 3.686 20 0 GHADLP CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236907066 1041950788 /nfs/dbraw/zinc/95/07/88/1041950788.db2.gz ZIGLFWRFAOVWAQ-OAQYLSRUSA-N 2 2 386.927 3.749 20 0 GHADLP CC(C)C(=O)N1CCC[C@]12CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC001236907066 1041950791 /nfs/dbraw/zinc/95/07/91/1041950791.db2.gz ZIGLFWRFAOVWAQ-OAQYLSRUSA-N 2 2 386.927 3.749 20 0 GHADLP COC1CC[NH+](C2CCN(Cc3ccc(-n4cc[nH+]c4)cc3Cl)CC2)CC1 ZINC001236917426 1041957253 /nfs/dbraw/zinc/95/72/53/1041957253.db2.gz FCRGFKVYNAWUOD-UHFFFAOYSA-N 2 2 388.943 3.601 20 0 GHADLP CC1(C)[NH2+][C@@H](CC[NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)CO1 ZINC001237017434 1041992275 /nfs/dbraw/zinc/99/22/75/1041992275.db2.gz YTQCFNFMUOELGI-NRFANRHFSA-N 2 2 395.547 3.502 20 0 GHADLP FC(F)(F)c1cccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)C[NH2+]CCO4)s2)c1 ZINC001237142095 1042061399 /nfs/dbraw/zinc/06/13/99/1042061399.db2.gz LYZOVCWTTBHQMJ-SFHVURJKSA-N 2 2 382.451 3.998 20 0 GHADLP FC(F)(F)c1cccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CCO4)s2)c1 ZINC001237142095 1042061401 /nfs/dbraw/zinc/06/14/01/1042061401.db2.gz LYZOVCWTTBHQMJ-SFHVURJKSA-N 2 2 382.451 3.998 20 0 GHADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(CC(=O)OC)c2)CC1 ZINC001237486564 1042229534 /nfs/dbraw/zinc/22/95/34/1042229534.db2.gz XOGCVTXEVNICJS-UHFFFAOYSA-N 2 2 380.532 3.889 20 0 GHADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(CC(=O)OC)c2)CC1 ZINC001237486564 1042229539 /nfs/dbraw/zinc/22/95/39/1042229539.db2.gz XOGCVTXEVNICJS-UHFFFAOYSA-N 2 2 380.532 3.889 20 0 GHADLP COCC[N@H+](Cc1c[nH]c2cc(F)c(Br)cc12)C1CC[NH+](C)CC1 ZINC001237931616 1042425740 /nfs/dbraw/zinc/42/57/40/1042425740.db2.gz VSIRKZQAFWZOFT-UHFFFAOYSA-N 2 2 398.320 3.612 20 0 GHADLP COCC[N@@H+](Cc1c[nH]c2cc(F)c(Br)cc12)C1CC[NH+](C)CC1 ZINC001237931616 1042425741 /nfs/dbraw/zinc/42/57/41/1042425741.db2.gz VSIRKZQAFWZOFT-UHFFFAOYSA-N 2 2 398.320 3.612 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1 ZINC001238108405 1042494384 /nfs/dbraw/zinc/49/43/84/1042494384.db2.gz VSYFBTSMGNSYEB-NQIIRXRSSA-N 2 2 388.487 3.505 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(O)c(OCc3ccccc3)c1)CC2 ZINC001238251616 1042532459 /nfs/dbraw/zinc/53/24/59/1042532459.db2.gz JFJMMYAOZDBTOJ-UHFFFAOYSA-N 2 2 395.503 3.601 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(C(=O)NC4CCCCC4)cc3)c2)C1 ZINC001239918988 1042863550 /nfs/dbraw/zinc/86/35/50/1042863550.db2.gz QZNCZSLXAZCJOE-QFIPXVFZSA-N 2 2 377.532 3.949 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(C(=O)NC4CCCCC4)cc3)c2)C1 ZINC001239918988 1042863552 /nfs/dbraw/zinc/86/35/52/1042863552.db2.gz QZNCZSLXAZCJOE-QFIPXVFZSA-N 2 2 377.532 3.949 20 0 GHADLP C[NH+](C)CCc1c[nH]c2ccc(-c3ccc(OCC[NH+]4CCOCC4)cc3)cc12 ZINC001240452960 1042931322 /nfs/dbraw/zinc/93/13/22/1042931322.db2.gz PFYYXVYEMFYWEA-UHFFFAOYSA-N 2 2 393.531 3.650 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(OC3CCOCC3)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC001256540132 1043487497 /nfs/dbraw/zinc/48/74/97/1043487497.db2.gz XRSOBXVOQUYBMU-FPOVZHCZSA-N 2 2 395.547 3.782 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(OC3CCOCC3)ccn2)CC[N@H+]1Cc1ccccc1 ZINC001256540132 1043487503 /nfs/dbraw/zinc/48/75/03/1043487503.db2.gz XRSOBXVOQUYBMU-FPOVZHCZSA-N 2 2 395.547 3.782 20 0 GHADLP CC(C)Oc1ncnc2c1CC[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256539146 1043487970 /nfs/dbraw/zinc/48/79/70/1043487970.db2.gz BIQCBXUZQUDSHQ-FPOVZHCZSA-N 2 2 394.563 3.718 20 0 GHADLP CC(C)Oc1ncnc2c1CC[N@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256539146 1043487974 /nfs/dbraw/zinc/48/79/74/1043487974.db2.gz BIQCBXUZQUDSHQ-FPOVZHCZSA-N 2 2 394.563 3.718 20 0 GHADLP CC(C)Oc1ncnc2c1CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256539146 1043487986 /nfs/dbraw/zinc/48/79/86/1043487986.db2.gz BIQCBXUZQUDSHQ-FPOVZHCZSA-N 2 2 394.563 3.718 20 0 GHADLP CC(C)Oc1ncnc2c1CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256539146 1043487994 /nfs/dbraw/zinc/48/79/94/1043487994.db2.gz BIQCBXUZQUDSHQ-FPOVZHCZSA-N 2 2 394.563 3.718 20 0 GHADLP C[C@H]1C[C@H](N2CC[NH+](Cc3cccc(F)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256549246 1043512594 /nfs/dbraw/zinc/51/25/94/1043512594.db2.gz FZMSDDWIEDHDCA-GBXCKJPGSA-N 2 2 381.539 3.996 20 0 GHADLP C[C@H]1C[C@H](N2CC[NH+](Cc3cccc(F)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256549246 1043512600 /nfs/dbraw/zinc/51/26/00/1043512600.db2.gz FZMSDDWIEDHDCA-GBXCKJPGSA-N 2 2 381.539 3.996 20 0 GHADLP Cc1nccnc1O[C@@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556782 1043528360 /nfs/dbraw/zinc/52/83/60/1043528360.db2.gz IUNZHADGAPGXJW-BVYCBKJFSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1nccnc1O[C@@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556782 1043528367 /nfs/dbraw/zinc/52/83/67/1043528367.db2.gz IUNZHADGAPGXJW-BVYCBKJFSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1nccnc1O[C@@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556782 1043528376 /nfs/dbraw/zinc/52/83/76/1043528376.db2.gz IUNZHADGAPGXJW-BVYCBKJFSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1nccnc1O[C@@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256556782 1043528388 /nfs/dbraw/zinc/52/83/88/1043528388.db2.gz IUNZHADGAPGXJW-BVYCBKJFSA-N 2 2 380.536 3.681 20 0 GHADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)Cc2ccccc21 ZINC001256559248 1043533112 /nfs/dbraw/zinc/53/31/12/1043533112.db2.gz KATCNIMQCZNQHW-AVCGJXAMSA-N 2 2 378.516 3.812 20 0 GHADLP COC(=O)[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)Cc2ccccc21 ZINC001256559248 1043533118 /nfs/dbraw/zinc/53/31/18/1043533118.db2.gz KATCNIMQCZNQHW-AVCGJXAMSA-N 2 2 378.516 3.812 20 0 GHADLP COC(=O)[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)Cc2ccccc21 ZINC001256559248 1043533121 /nfs/dbraw/zinc/53/31/21/1043533121.db2.gz KATCNIMQCZNQHW-AVCGJXAMSA-N 2 2 378.516 3.812 20 0 GHADLP COC(=O)[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)Cc2ccccc21 ZINC001256559248 1043533125 /nfs/dbraw/zinc/53/31/25/1043533125.db2.gz KATCNIMQCZNQHW-AVCGJXAMSA-N 2 2 378.516 3.812 20 0 GHADLP Fc1ccccc1C1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCOCC1 ZINC001256578646 1043551102 /nfs/dbraw/zinc/55/11/02/1043551102.db2.gz UVQIQTBMRPATCT-UHFFFAOYSA-N 2 2 383.511 3.523 20 0 GHADLP COc1ccc(CC[N@H+](C[C@H](C)O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001256603246 1043565331 /nfs/dbraw/zinc/56/53/31/1043565331.db2.gz ADCHVYBHXWVPHC-FQEVSTJZSA-N 2 2 382.548 3.585 20 0 GHADLP COc1ccc(CC[N@@H+](C[C@H](C)O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001256603246 1043565343 /nfs/dbraw/zinc/56/53/43/1043565343.db2.gz ADCHVYBHXWVPHC-FQEVSTJZSA-N 2 2 382.548 3.585 20 0 GHADLP c1cc2c(ccnc2N2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)o1 ZINC001256611053 1043576163 /nfs/dbraw/zinc/57/61/63/1043576163.db2.gz LXPBXDCGAZQKOA-UHFFFAOYSA-N 2 2 376.504 3.614 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+]([C@H]4CCO[C@@H](c5ccccc5)C4)CC3)C2)co1 ZINC001256811828 1043668020 /nfs/dbraw/zinc/66/80/20/1043668020.db2.gz PFTGORHBAWBZTL-XZOQPEGZSA-N 2 2 396.531 3.867 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+]([C@H]4CCO[C@@H](c5ccccc5)C4)CC3)C2)co1 ZINC001256811828 1043668034 /nfs/dbraw/zinc/66/80/34/1043668034.db2.gz PFTGORHBAWBZTL-XZOQPEGZSA-N 2 2 396.531 3.867 20 0 GHADLP CCOC(=O)c1ccc(C[C@H](C)[NH+]2CCC([NH3+])(c3ccccc3F)CC2)cc1 ZINC001257150710 1043899096 /nfs/dbraw/zinc/89/90/96/1043899096.db2.gz FHBHZFPPJNTTGI-KRWDZBQOSA-N 2 2 384.495 3.883 20 0 GHADLP CC(C)[NH+]1CCC([NH2+]Cc2cncn2Cc2cccc(C(F)(F)F)c2)CC1 ZINC001257211193 1043937521 /nfs/dbraw/zinc/93/75/21/1043937521.db2.gz BGPSYLOEQKDUET-UHFFFAOYSA-N 2 2 380.458 3.913 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC([N@@H+]1Cc3ccccc3C[C@@H]1C[NH3+])CC2 ZINC001257755174 1044144269 /nfs/dbraw/zinc/14/42/69/1044144269.db2.gz JJJLFMNXMJJAES-HXUWFJFHSA-N 2 2 385.552 3.552 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CCC([N@H+]1Cc3ccccc3C[C@@H]1C[NH3+])CC2 ZINC001257755174 1044144274 /nfs/dbraw/zinc/14/42/74/1044144274.db2.gz JJJLFMNXMJJAES-HXUWFJFHSA-N 2 2 385.552 3.552 20 0 GHADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257822884 1044204905 /nfs/dbraw/zinc/20/49/05/1044204905.db2.gz RAKQAKLOMARHIM-SIKLNZKXSA-N 2 2 379.589 3.972 20 0 GHADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257822884 1044204909 /nfs/dbraw/zinc/20/49/09/1044204909.db2.gz RAKQAKLOMARHIM-SIKLNZKXSA-N 2 2 379.589 3.972 20 0 GHADLP CCOC(=O)CC1CCC([NH2+][C@@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC001258023394 1044349583 /nfs/dbraw/zinc/34/95/83/1044349583.db2.gz VRISQXDRANAJBB-IMRCBTMISA-N 2 2 383.330 3.551 20 0 GHADLP C[C@@H]1C[N@@H+](CCc2nnc([C@H](c3ccccc3)[NH+]3CCCCCC3)o2)C[C@H](C)O1 ZINC001258080516 1044385859 /nfs/dbraw/zinc/38/58/59/1044385859.db2.gz JPULWLNRMWKCJU-JQVVWYNYSA-N 2 2 398.551 3.687 20 0 GHADLP C[C@@H]1C[N@H+](CCc2nnc([C@H](c3ccccc3)[NH+]3CCCCCC3)o2)C[C@H](C)O1 ZINC001258080516 1044385874 /nfs/dbraw/zinc/38/58/74/1044385874.db2.gz JPULWLNRMWKCJU-JQVVWYNYSA-N 2 2 398.551 3.687 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258145091 1044433294 /nfs/dbraw/zinc/43/32/94/1044433294.db2.gz YSHYIYMCGAJYSK-UHFFFAOYSA-N 2 2 378.516 3.538 20 0 GHADLP COC(=O)c1ccc2c(c1)CC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258145091 1044433302 /nfs/dbraw/zinc/43/33/02/1044433302.db2.gz YSHYIYMCGAJYSK-UHFFFAOYSA-N 2 2 378.516 3.538 20 0 GHADLP CCOc1cccc(N2CC[NH+](C3CC[NH+](CCc4ccccc4)CC3)CC2)c1 ZINC001258147993 1044437340 /nfs/dbraw/zinc/43/73/40/1044437340.db2.gz XPCCMXBUVHHNEH-UHFFFAOYSA-N 2 2 393.575 3.914 20 0 GHADLP COc1ccc(CC[C@H](C)[N@@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)cc1 ZINC001258400674 1044535961 /nfs/dbraw/zinc/53/59/61/1044535961.db2.gz JLAMWRPYHOGUBW-SFHVURJKSA-N 2 2 384.568 3.914 20 0 GHADLP COc1ccc(CC[C@H](C)[N@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)cc1 ZINC001258400674 1044535977 /nfs/dbraw/zinc/53/59/77/1044535977.db2.gz JLAMWRPYHOGUBW-SFHVURJKSA-N 2 2 384.568 3.914 20 0 GHADLP CCOC(=O)CC[C@H](C)[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC001258500640 1044582686 /nfs/dbraw/zinc/58/26/86/1044582686.db2.gz MWQQKPCHKZZFFS-HNNXBMFYSA-N 2 2 386.458 3.991 20 0 GHADLP CCCCC[C@H](CCC)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001258671757 1044705697 /nfs/dbraw/zinc/70/56/97/1044705697.db2.gz QRZJIWNXIVPUFX-PMACEKPBSA-N 2 2 375.605 3.756 20 0 GHADLP CCCCC[C@H](CCC)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001258671757 1044705712 /nfs/dbraw/zinc/70/57/12/1044705712.db2.gz QRZJIWNXIVPUFX-PMACEKPBSA-N 2 2 375.605 3.756 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H](C)Cc3cccc(Cl)c3)CC2)C1 ZINC001258751104 1044748212 /nfs/dbraw/zinc/74/82/12/1044748212.db2.gz HWQDDQIGGPRCMC-FUHWJXTLSA-N 2 2 378.944 3.620 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)Cc3cccc(Cl)c3)CC2)C1 ZINC001258751104 1044748215 /nfs/dbraw/zinc/74/82/15/1044748215.db2.gz HWQDDQIGGPRCMC-FUHWJXTLSA-N 2 2 378.944 3.620 20 0 GHADLP C[C@H](C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[C@@H]([NH3+])c1ccccc1 ZINC001261502747 1046011102 /nfs/dbraw/zinc/01/11/02/1046011102.db2.gz XDSWUOYZDRWXPU-KSFYIVLOSA-N 2 2 391.519 3.823 20 0 GHADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1C ZINC001262558759 1046268990 /nfs/dbraw/zinc/26/89/90/1046268990.db2.gz PCOVSEWCSOYBHW-FGZHOGPDSA-N 2 2 393.531 3.659 20 0 GHADLP Cc1cc(Cl)c(C[NH2+][C@@]23CC[C@@]([NH2+]CC(=O)N(C)C)(C2)CCC3)c(Cl)c1 ZINC001279340729 1047773264 /nfs/dbraw/zinc/77/32/64/1047773264.db2.gz WSVPTAGVVIGSNL-VQTJNVASSA-N 2 2 398.378 3.915 20 0 GHADLP Cc1cc(C[NH+]2CC3(C2)CC[NH+](Cc2cccc(Cl)c2F)CC3)n(C)n1 ZINC001279440036 1047807058 /nfs/dbraw/zinc/80/70/58/1047807058.db2.gz VYUKGSCQGCGUSR-UHFFFAOYSA-N 2 2 376.907 3.619 20 0 GHADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3ccc(Cl)c(F)c3F)C2)C1 ZINC001279711748 1047930039 /nfs/dbraw/zinc/93/00/39/1047930039.db2.gz HRSWZQJRXZYHPR-HXUWFJFHSA-N 2 2 385.930 3.858 20 0 GHADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3ccc(Cl)c(F)c3F)C2)C1 ZINC001279711748 1047930040 /nfs/dbraw/zinc/93/00/40/1047930040.db2.gz HRSWZQJRXZYHPR-HXUWFJFHSA-N 2 2 385.930 3.858 20 0 GHADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC001306883736 1048943614 /nfs/dbraw/zinc/94/36/14/1048943614.db2.gz CUALCCKLYMPGPN-XXBNENTESA-N 2 2 395.547 3.640 20 0 GHADLP O[C@@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001307652837 1049479256 /nfs/dbraw/zinc/47/92/56/1049479256.db2.gz VGPGNQAAWKZFER-QGZVFWFLSA-N 2 2 396.318 3.705 20 0 GHADLP CCOC(=O)[C@@H](CCc1ccccc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001307676825 1049498991 /nfs/dbraw/zinc/49/89/91/1049498991.db2.gz QXNQKOSPALLFBW-JOCHJYFZSA-N 2 2 383.536 3.940 20 0 GHADLP CC1=Nc2ccccc2C12CC[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC001307890956 1049669931 /nfs/dbraw/zinc/66/99/31/1049669931.db2.gz WCXSAJHLPXRJTC-OAQYLSRUSA-N 2 2 377.532 3.619 20 0 GHADLP CC1=Nc2ccccc2C12CC[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)CC2 ZINC001307890956 1049669933 /nfs/dbraw/zinc/66/99/33/1049669933.db2.gz WCXSAJHLPXRJTC-OAQYLSRUSA-N 2 2 377.532 3.619 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCCO2 ZINC001307947331 1049715734 /nfs/dbraw/zinc/71/57/34/1049715734.db2.gz KUGVDKZNMKWPFH-AUSIDOKSSA-N 2 2 380.532 3.953 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)CCCO2 ZINC001307947331 1049715744 /nfs/dbraw/zinc/71/57/44/1049715744.db2.gz KUGVDKZNMKWPFH-AUSIDOKSSA-N 2 2 380.532 3.953 20 0 GHADLP COC[C@H](C)[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC001307977542 1049735681 /nfs/dbraw/zinc/73/56/81/1049735681.db2.gz ZEFJEZUUAUBJCR-BPUDTRNYSA-N 2 2 382.548 3.504 20 0 GHADLP COC[C@H](C)[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC001307977542 1049735686 /nfs/dbraw/zinc/73/56/86/1049735686.db2.gz ZEFJEZUUAUBJCR-BPUDTRNYSA-N 2 2 382.548 3.504 20 0 GHADLP COC[C@H](C)[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC001307977542 1049735692 /nfs/dbraw/zinc/73/56/92/1049735692.db2.gz ZEFJEZUUAUBJCR-BPUDTRNYSA-N 2 2 382.548 3.504 20 0 GHADLP COC[C@H](C)[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC001307977542 1049735699 /nfs/dbraw/zinc/73/56/99/1049735699.db2.gz ZEFJEZUUAUBJCR-BPUDTRNYSA-N 2 2 382.548 3.504 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC001308165159 1049895918 /nfs/dbraw/zinc/89/59/18/1049895918.db2.gz LBBJXMANNIYESM-NQIIRXRSSA-N 2 2 380.536 3.837 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC001308165159 1049895922 /nfs/dbraw/zinc/89/59/22/1049895922.db2.gz LBBJXMANNIYESM-NQIIRXRSSA-N 2 2 380.536 3.837 20 0 GHADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001308180403 1049902919 /nfs/dbraw/zinc/90/29/19/1049902919.db2.gz CUQNDYVOYOOSLD-SFHVURJKSA-N 2 2 393.572 3.659 20 0 GHADLP COC[C@H](C)Oc1ccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)cc1 ZINC001308199403 1049910333 /nfs/dbraw/zinc/91/03/33/1049910333.db2.gz SDGQMIJMTCQZHK-SFHVURJKSA-N 2 2 378.582 3.552 20 0 GHADLP Clc1ccc(-c2cccc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)c2)cc1 ZINC001308260803 1049929344 /nfs/dbraw/zinc/92/93/44/1049929344.db2.gz FEAJJKTZWCOJBY-QHCPKHFHSA-N 2 2 399.966 3.503 20 0 GHADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001308338615 1049952869 /nfs/dbraw/zinc/95/28/69/1049952869.db2.gz AGYPDXZGSCBEJO-INIZCTEOSA-N 3 2 397.510 3.527 20 0 GHADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001308338615 1049952873 /nfs/dbraw/zinc/95/28/73/1049952873.db2.gz AGYPDXZGSCBEJO-INIZCTEOSA-N 3 2 397.510 3.527 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC001308351466 1049955876 /nfs/dbraw/zinc/95/58/76/1049955876.db2.gz SIFGKTJHZDFJPF-WOJBJXKFSA-N 2 2 399.966 3.627 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)C[N@H+]1Cc1ccccc1 ZINC001308351466 1049955879 /nfs/dbraw/zinc/95/58/79/1049955879.db2.gz SIFGKTJHZDFJPF-WOJBJXKFSA-N 2 2 399.966 3.627 20 0 GHADLP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC001308709640 1050066939 /nfs/dbraw/zinc/06/69/39/1050066939.db2.gz PMQRKWMPDFOLEF-CJFMBICVSA-N 2 2 393.575 3.912 20 0 GHADLP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001308709640 1050066945 /nfs/dbraw/zinc/06/69/45/1050066945.db2.gz PMQRKWMPDFOLEF-CJFMBICVSA-N 2 2 393.575 3.912 20 0 GHADLP C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001308753945 1050082929 /nfs/dbraw/zinc/08/29/29/1050082929.db2.gz WFEFXOZUKGXZCO-YKSBVNFPSA-N 2 2 380.532 3.981 20 0 GHADLP C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001308753945 1050082934 /nfs/dbraw/zinc/08/29/34/1050082934.db2.gz WFEFXOZUKGXZCO-YKSBVNFPSA-N 2 2 380.532 3.981 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC001311433551 1052141472 /nfs/dbraw/zinc/14/14/72/1052141472.db2.gz IEMGXAKBLUFWGB-GOSISDBHSA-N 2 2 392.613 3.791 20 0 GHADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001312802186 1052875078 /nfs/dbraw/zinc/87/50/78/1052875078.db2.gz HIXBZGMCVGBDSV-ROUUACIJSA-N 2 2 377.577 3.648 20 0 GHADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001312802186 1052875083 /nfs/dbraw/zinc/87/50/83/1052875083.db2.gz HIXBZGMCVGBDSV-ROUUACIJSA-N 2 2 377.577 3.648 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1C[NH2+]C[C@H]1Cc1ccccc1 ZINC001343607752 1053923514 /nfs/dbraw/zinc/92/35/14/1053923514.db2.gz ABFHAMLWUUXVIF-NHCUHLMSSA-N 2 2 398.510 3.619 20 0 GHADLP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1F ZINC001318452717 1054650118 /nfs/dbraw/zinc/65/01/18/1054650118.db2.gz ADQOJIONOKGTLK-UHFFFAOYSA-N 2 2 383.511 3.560 20 0 GHADLP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1F ZINC001318452717 1054650125 /nfs/dbraw/zinc/65/01/25/1054650125.db2.gz ADQOJIONOKGTLK-UHFFFAOYSA-N 2 2 383.511 3.560 20 0 GHADLP COc1cc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC001319814502 1055484099 /nfs/dbraw/zinc/48/40/99/1055484099.db2.gz UUAHBQJDEYXCPA-UHFFFAOYSA-N 2 2 385.527 3.522 20 0 GHADLP CCOc1c(OC)cc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)cc1OC ZINC001319949062 1055558519 /nfs/dbraw/zinc/55/85/19/1055558519.db2.gz URNMSPJAEHJEHN-SFHVURJKSA-N 2 2 385.508 3.882 20 0 GHADLP CCOc1c(OC)cc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)cc1OC ZINC001319949062 1055558531 /nfs/dbraw/zinc/55/85/31/1055558531.db2.gz URNMSPJAEHJEHN-SFHVURJKSA-N 2 2 385.508 3.882 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1C ZINC001322845645 1056865723 /nfs/dbraw/zinc/86/57/23/1056865723.db2.gz JHYVXHTXONFHSX-UHFFFAOYSA-N 2 2 392.850 3.976 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc4c(c3)oc3ccccc34)CC2)CC1 ZINC001323569104 1056986904 /nfs/dbraw/zinc/98/69/04/1056986904.db2.gz WPYLQTZMSCLPSY-UHFFFAOYSA-N 2 2 391.515 3.874 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001324042890 1057060157 /nfs/dbraw/zinc/06/01/57/1057060157.db2.gz SRKRRMPKWVYODW-OAHLLOKOSA-N 2 2 381.867 3.694 20 0 GHADLP COc1ccc([C@@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC001326036418 1057399706 /nfs/dbraw/zinc/39/97/06/1057399706.db2.gz FSUWJRFBAXFWSA-DHIUTWEWSA-N 2 2 383.511 3.886 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CC[N@H+](CC)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC001446196628 1059728469 /nfs/dbraw/zinc/72/84/69/1059728469.db2.gz QYPUXMCXXUOAMS-YJBOKZPZSA-N 2 2 385.474 3.641 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CC[N@@H+](CC)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC001446196628 1059728484 /nfs/dbraw/zinc/72/84/84/1059728484.db2.gz QYPUXMCXXUOAMS-YJBOKZPZSA-N 2 2 385.474 3.641 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CC[N@H+](CC)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC001446196626 1059728579 /nfs/dbraw/zinc/72/85/79/1059728579.db2.gz QYPUXMCXXUOAMS-QAPCUYQASA-N 2 2 385.474 3.641 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CC[N@@H+](CC)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC001446196626 1059728596 /nfs/dbraw/zinc/72/85/96/1059728596.db2.gz QYPUXMCXXUOAMS-QAPCUYQASA-N 2 2 385.474 3.641 20 0 GHADLP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)[NH+](C)Cc3ccccc3)n2CC)C1 ZINC001340907372 1060239267 /nfs/dbraw/zinc/23/92/67/1060239267.db2.gz ZQDRIJCVKKCYEM-FPOVZHCZSA-N 2 2 398.599 3.659 20 0 GHADLP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)[NH+](C)Cc3ccccc3)n2CC)C1 ZINC001340907372 1060239288 /nfs/dbraw/zinc/23/92/88/1060239288.db2.gz ZQDRIJCVKKCYEM-FPOVZHCZSA-N 2 2 398.599 3.659 20 0 GHADLP CCC[NH+](C)C[C@@H]1CCN(c2nnc([C@H](C)[N@H+](C)Cc3ccccc3)n2CC)C1 ZINC001340907372 1060239308 /nfs/dbraw/zinc/23/93/08/1060239308.db2.gz ZQDRIJCVKKCYEM-FPOVZHCZSA-N 2 2 398.599 3.659 20 0 GHADLP CCC[NH+](C)C[C@@H]1CCN(c2nnc([C@H](C)[N@@H+](C)Cc3ccccc3)n2CC)C1 ZINC001340907372 1060239328 /nfs/dbraw/zinc/23/93/28/1060239328.db2.gz ZQDRIJCVKKCYEM-FPOVZHCZSA-N 2 2 398.599 3.659 20 0 GHADLP CCOc1ccccc1[C@H]([NH3+])CC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001341977972 1060979932 /nfs/dbraw/zinc/97/99/32/1060979932.db2.gz MDLLMHCVJDWGOO-IEBWSBKVSA-N 2 2 398.551 3.833 20 0 GHADLP CCCC[NH+]1CCC(NC(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CC1 ZINC001347327088 1062299677 /nfs/dbraw/zinc/29/96/77/1062299677.db2.gz LVSKGFYIOIGRRK-GOSISDBHSA-N 2 2 389.588 3.792 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC001457769683 1063354541 /nfs/dbraw/zinc/35/45/41/1063354541.db2.gz NUGSZSWRVKPUKZ-YYWHXJBOSA-N 2 2 383.561 3.646 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC001457769683 1063354566 /nfs/dbraw/zinc/35/45/66/1063354566.db2.gz NUGSZSWRVKPUKZ-YYWHXJBOSA-N 2 2 383.561 3.646 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001350144922 1064002815 /nfs/dbraw/zinc/00/28/15/1064002815.db2.gz TYIBPUUXVXNOPW-HZPDHXFCSA-N 2 2 381.590 3.617 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001350144922 1064002819 /nfs/dbraw/zinc/00/28/19/1064002819.db2.gz TYIBPUUXVXNOPW-HZPDHXFCSA-N 2 2 381.590 3.617 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001350144924 1064003082 /nfs/dbraw/zinc/00/30/82/1064003082.db2.gz TYIBPUUXVXNOPW-JKSUJKDBSA-N 2 2 381.590 3.617 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC001350144924 1064003088 /nfs/dbraw/zinc/00/30/88/1064003088.db2.gz TYIBPUUXVXNOPW-JKSUJKDBSA-N 2 2 381.590 3.617 20 0 GHADLP C[C@@H](CC[NH+](C)C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001464923875 1065275273 /nfs/dbraw/zinc/27/52/73/1065275273.db2.gz UIKNFVSLSDNZJK-IBGZPJMESA-N 2 2 390.531 3.802 20 0 GHADLP Cc1ccc2c(ccc(C)c2C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001465014273 1065327265 /nfs/dbraw/zinc/32/72/65/1065327265.db2.gz BLOADUGTQFZWKI-NRFANRHFSA-N 2 2 379.548 3.697 20 0 GHADLP Cc1ccc2c(ccc(C)c2C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001465014273 1065327272 /nfs/dbraw/zinc/32/72/72/1065327272.db2.gz BLOADUGTQFZWKI-NRFANRHFSA-N 2 2 379.548 3.697 20 0 GHADLP C[NH+](C)CC[C@@H]([NH2+]Cc1cccc(F)c1I)C(C)(C)C ZINC001200412757 1066132463 /nfs/dbraw/zinc/13/24/63/1066132463.db2.gz RWQQLFXOGHOAIU-CQSZACIVSA-N 2 2 392.300 3.886 20 0 GHADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC001200459989 1066291434 /nfs/dbraw/zinc/29/14/34/1066291434.db2.gz RJDJVLPPBZZKEV-SFHVURJKSA-N 2 2 375.582 3.745 20 0 GHADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)Nc1ccccc1Nc1cc[nH+]cc1 ZINC001467663382 1067405231 /nfs/dbraw/zinc/40/52/31/1067405231.db2.gz KSCHEWOTHXTYNG-MRXNPFEDSA-N 2 2 375.354 3.576 20 0 GHADLP CN(C(=O)NCC(C)(C)C1CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001470197811 1068621338 /nfs/dbraw/zinc/62/13/38/1068621338.db2.gz HROKCJBYFLVYLQ-NHCUHLMSSA-N 2 2 392.632 3.791 20 0 GHADLP CN(C(=O)NCC(C)(C)C1CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001470197811 1068621342 /nfs/dbraw/zinc/62/13/42/1068621342.db2.gz HROKCJBYFLVYLQ-NHCUHLMSSA-N 2 2 392.632 3.791 20 0 GHADLP O=C(NC[C@@H]1CC[NH+]1Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001470376005 1068708371 /nfs/dbraw/zinc/70/83/71/1068708371.db2.gz RUCGVCGFHMKOOB-GOTSBHOMSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(NC[C@@H]1CC[NH+]1Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001470376005 1068708388 /nfs/dbraw/zinc/70/83/88/1068708388.db2.gz RUCGVCGFHMKOOB-GOTSBHOMSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001470376005 1068708402 /nfs/dbraw/zinc/70/84/02/1068708402.db2.gz RUCGVCGFHMKOOB-GOTSBHOMSA-N 2 2 395.522 3.571 20 0 GHADLP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001470376005 1068708418 /nfs/dbraw/zinc/70/84/18/1068708418.db2.gz RUCGVCGFHMKOOB-GOTSBHOMSA-N 2 2 395.522 3.571 20 0 GHADLP COC(=O)c1cccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1Cl ZINC001460079894 1068767927 /nfs/dbraw/zinc/76/79/27/1068767927.db2.gz UFNAPGQPZTUZBX-UHFFFAOYSA-N 2 2 395.890 3.997 20 0 GHADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@@H]2CC[C@H](C3CC3)O2)o1 ZINC001460086948 1068772579 /nfs/dbraw/zinc/77/25/79/1068772579.db2.gz VDFSNWVBYOSLMG-DOTOQJQBSA-N 2 2 394.313 3.698 20 0 GHADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@@H]2CC[C@H](C3CC3)O2)o1 ZINC001460086948 1068772586 /nfs/dbraw/zinc/77/25/86/1068772586.db2.gz VDFSNWVBYOSLMG-DOTOQJQBSA-N 2 2 394.313 3.698 20 0 GHADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001471226269 1072973951 /nfs/dbraw/zinc/97/39/51/1072973951.db2.gz AWAIVOPQACXRNP-QHCPKHFHSA-N 2 2 388.515 3.586 20 0 GHADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001471226269 1072973952 /nfs/dbraw/zinc/97/39/52/1072973952.db2.gz AWAIVOPQACXRNP-QHCPKHFHSA-N 2 2 388.515 3.586 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC001473127435 1073794047 /nfs/dbraw/zinc/79/40/47/1073794047.db2.gz GKCPZLIAXDOXOP-NZQKXSOJSA-N 2 2 385.596 3.965 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC001473127435 1073794052 /nfs/dbraw/zinc/79/40/52/1073794052.db2.gz GKCPZLIAXDOXOP-NZQKXSOJSA-N 2 2 385.596 3.965 20 0 GHADLP CC[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC001473177486 1073833847 /nfs/dbraw/zinc/83/38/47/1073833847.db2.gz HQJRWAZKXZJRQP-GOSISDBHSA-N 2 2 378.586 3.968 20 0 GHADLP CC[C@@H]1CCCCC[N@H+]1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC001473177486 1073833860 /nfs/dbraw/zinc/83/38/60/1073833860.db2.gz HQJRWAZKXZJRQP-GOSISDBHSA-N 2 2 378.586 3.968 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@@H+]3CC[C@@H](c4ccncc4)C3)CC2)cc1 ZINC001473524651 1074000718 /nfs/dbraw/zinc/00/07/18/1074000718.db2.gz UVIAQZOCHOPRKF-HXUWFJFHSA-N 2 2 384.955 3.737 20 0 GHADLP Clc1ccc(N2CC[NH+](CCC[N@H+]3CC[C@@H](c4ccncc4)C3)CC2)cc1 ZINC001473524651 1074000722 /nfs/dbraw/zinc/00/07/22/1074000722.db2.gz UVIAQZOCHOPRKF-HXUWFJFHSA-N 2 2 384.955 3.737 20 0 GHADLP CCC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001473648212 1074066219 /nfs/dbraw/zinc/06/62/19/1074066219.db2.gz DQCYCQPYGIZIEK-SIKLNZKXSA-N 2 2 397.538 3.817 20 0 GHADLP CCC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001473648212 1074066226 /nfs/dbraw/zinc/06/62/26/1074066226.db2.gz DQCYCQPYGIZIEK-SIKLNZKXSA-N 2 2 397.538 3.817 20 0 GHADLP CCC[NH+](Cc1ccccc1F)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001473648212 1074066232 /nfs/dbraw/zinc/06/62/32/1074066232.db2.gz DQCYCQPYGIZIEK-SIKLNZKXSA-N 2 2 397.538 3.817 20 0 GHADLP CCC[NH+](Cc1ccccc1F)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001473648212 1074066238 /nfs/dbraw/zinc/06/62/38/1074066238.db2.gz DQCYCQPYGIZIEK-SIKLNZKXSA-N 2 2 397.538 3.817 20 0 GHADLP COc1cccc(C[NH+]2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)c1 ZINC001473729232 1074111994 /nfs/dbraw/zinc/11/19/94/1074111994.db2.gz AJEJTMMAYYINEO-UHFFFAOYSA-N 2 2 393.575 3.999 20 0 GHADLP c1ccc([C@H]2CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CCO2)cc1 ZINC001473887498 1074191816 /nfs/dbraw/zinc/19/18/16/1074191816.db2.gz OYGZUODIICUOLC-XMMPIXPASA-N 2 2 379.548 3.662 20 0 GHADLP c1ccc([C@H]2CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CCO2)cc1 ZINC001473887498 1074191817 /nfs/dbraw/zinc/19/18/17/1074191817.db2.gz OYGZUODIICUOLC-XMMPIXPASA-N 2 2 379.548 3.662 20 0 GHADLP C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473898331 1074195879 /nfs/dbraw/zinc/19/58/79/1074195879.db2.gz XCTWUDRNOZAFQR-FUHWJXTLSA-N 2 2 386.515 3.662 20 0 GHADLP C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473898331 1074195882 /nfs/dbraw/zinc/19/58/82/1074195882.db2.gz XCTWUDRNOZAFQR-FUHWJXTLSA-N 2 2 386.515 3.662 20 0 GHADLP Fc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(F)c1 ZINC001473984025 1074226328 /nfs/dbraw/zinc/22/63/28/1074226328.db2.gz NUSGODQMFPUBMC-UHFFFAOYSA-N 2 2 379.882 3.920 20 0 GHADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)cc2)n1 ZINC001474230765 1074301102 /nfs/dbraw/zinc/30/11/02/1074301102.db2.gz OTNNWERYQZTCJG-SFHVURJKSA-N 2 2 378.442 3.998 20 0 GHADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)cc2)n1 ZINC001474230765 1074301111 /nfs/dbraw/zinc/30/11/11/1074301111.db2.gz OTNNWERYQZTCJG-SFHVURJKSA-N 2 2 378.442 3.998 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]CCCCNC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC001474436045 1074405418 /nfs/dbraw/zinc/40/54/18/1074405418.db2.gz UMUZAKBNMBYTBD-AZUAARDMSA-N 2 2 375.557 3.792 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]CCCCNC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC001474436045 1074405424 /nfs/dbraw/zinc/40/54/24/1074405424.db2.gz UMUZAKBNMBYTBD-AZUAARDMSA-N 2 2 375.557 3.792 20 0 GHADLP C[NH+]1CCC([N@H+](CCC[C@@H]2CCO2)Cc2ccccc2Br)CC1 ZINC001474558179 1074463135 /nfs/dbraw/zinc/46/31/35/1074463135.db2.gz PUTGBZNMIGYBMG-GOSISDBHSA-N 2 2 381.358 3.914 20 0 GHADLP C[NH+]1CCC([N@@H+](CCC[C@@H]2CCO2)Cc2ccccc2Br)CC1 ZINC001474558179 1074463143 /nfs/dbraw/zinc/46/31/43/1074463143.db2.gz PUTGBZNMIGYBMG-GOSISDBHSA-N 2 2 381.358 3.914 20 0 GHADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000826304658 608369901 /nfs/dbraw/zinc/36/99/01/608369901.db2.gz TVQNLAFTRWGHAS-BBWFWOEESA-N 2 2 391.523 3.565 20 0 GHADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000826304658 608369903 /nfs/dbraw/zinc/36/99/03/608369903.db2.gz TVQNLAFTRWGHAS-BBWFWOEESA-N 2 2 391.523 3.565 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC000826364006 608515085 /nfs/dbraw/zinc/51/50/85/608515085.db2.gz HWNCLCQYQDNAJM-NHCUHLMSSA-N 2 2 399.502 3.551 20 0 GHADLP C[C@@H](CC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)[N@H+](C)Cc1ccccc1 ZINC000824586511 609338799 /nfs/dbraw/zinc/33/87/99/609338799.db2.gz ZHMVFFDNRSRPIH-HOTGVXAUSA-N 2 2 382.487 3.567 20 0 GHADLP C[C@@H](CC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000824586511 609338802 /nfs/dbraw/zinc/33/88/02/609338802.db2.gz ZHMVFFDNRSRPIH-HOTGVXAUSA-N 2 2 382.487 3.567 20 0 GHADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1NC(C)C ZINC001165028134 721798125 /nfs/dbraw/zinc/79/81/25/721798125.db2.gz YPXICUYVPDNBDP-CEWLAPEOSA-N 2 2 394.567 3.737 20 0 GHADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1NC(C)C ZINC001165028134 721798126 /nfs/dbraw/zinc/79/81/26/721798126.db2.gz YPXICUYVPDNBDP-CEWLAPEOSA-N 2 2 394.567 3.737 20 0 GHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972521 722119813 /nfs/dbraw/zinc/11/98/13/722119813.db2.gz FTHLYEDZTVQHLL-REWPJTCUSA-N 2 2 388.515 3.666 20 0 GHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972521 722119817 /nfs/dbraw/zinc/11/98/17/722119817.db2.gz FTHLYEDZTVQHLL-REWPJTCUSA-N 2 2 388.515 3.666 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC(CCC[NH+]3CCCC3)CC1)C2 ZINC000376242294 837562320 /nfs/dbraw/zinc/56/23/20/837562320.db2.gz BALLFSNKBQEBNJ-IBGZPJMESA-N 2 2 386.584 3.753 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC(CCC[NH+]3CCCC3)CC1)CC2 ZINC000376242294 837562328 /nfs/dbraw/zinc/56/23/28/837562328.db2.gz BALLFSNKBQEBNJ-IBGZPJMESA-N 2 2 386.584 3.753 20 0 GHADLP CCN(CC)[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655684858 837669275 /nfs/dbraw/zinc/66/92/75/837669275.db2.gz ZOAMKNGDVDJYCI-RXVVDRJESA-N 2 2 379.976 3.566 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000472289687 834448030 /nfs/dbraw/zinc/44/80/30/834448030.db2.gz CZWKFFDQJAJDCB-INIZCTEOSA-N 2 2 385.339 3.574 20 0 GHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000472289687 834448032 /nfs/dbraw/zinc/44/80/32/834448032.db2.gz CZWKFFDQJAJDCB-INIZCTEOSA-N 2 2 385.339 3.574 20 0 GHADLP CC[N@@H+](Cc1cc(C(=O)OC)sc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000151889864 834553328 /nfs/dbraw/zinc/55/33/28/834553328.db2.gz SGOAPZWEHRAJLC-UHFFFAOYSA-N 2 2 387.549 3.977 20 0 GHADLP CC[N@H+](Cc1cc(C(=O)OC)sc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000151889864 834553332 /nfs/dbraw/zinc/55/33/32/834553332.db2.gz SGOAPZWEHRAJLC-UHFFFAOYSA-N 2 2 387.549 3.977 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000511300151 835096577 /nfs/dbraw/zinc/09/65/77/835096577.db2.gz HTOOWTPDKBMQRI-UHFFFAOYSA-N 2 2 378.501 3.673 20 0 GHADLP C[C@H]1C[C@H]([NH2+]CCCn2cc(Br)cn2)C[N@H+](Cc2ccccc2)C1 ZINC000583839845 835124306 /nfs/dbraw/zinc/12/43/06/835124306.db2.gz ZYBZYFRWIIOYSQ-LPHOPBHVSA-N 2 2 391.357 3.536 20 0 GHADLP C[C@H]1C[C@H]([NH2+]CCCn2cc(Br)cn2)C[N@@H+](Cc2ccccc2)C1 ZINC000583839845 835124307 /nfs/dbraw/zinc/12/43/07/835124307.db2.gz ZYBZYFRWIIOYSQ-LPHOPBHVSA-N 2 2 391.357 3.536 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000151339160 835382490 /nfs/dbraw/zinc/38/24/90/835382490.db2.gz BBFXFMNGXYSIIW-QGZVFWFLSA-N 2 2 398.532 3.544 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471175968 835448786 /nfs/dbraw/zinc/44/87/86/835448786.db2.gz GWMUACDZEZKECC-STQMWFEESA-N 2 2 382.386 3.515 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471175968 835448791 /nfs/dbraw/zinc/44/87/91/835448791.db2.gz GWMUACDZEZKECC-STQMWFEESA-N 2 2 382.386 3.515 20 0 GHADLP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658168874 835482707 /nfs/dbraw/zinc/48/27/07/835482707.db2.gz ZTWXFPMXSJNCCY-IBGZPJMESA-N 3 2 375.520 3.830 20 0 GHADLP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658168876 835483689 /nfs/dbraw/zinc/48/36/89/835483689.db2.gz ZTWXFPMXSJNCCY-LJQANCHMSA-N 3 2 375.520 3.830 20 0 GHADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)Nc1ccccc1C[NH+]1CCSCC1 ZINC000635453081 835545056 /nfs/dbraw/zinc/54/50/56/835545056.db2.gz MCUOJRVNYKTKLD-MRXNPFEDSA-N 2 2 398.454 3.564 20 0 GHADLP CCOc1ccccc1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274811492 835585048 /nfs/dbraw/zinc/58/50/48/835585048.db2.gz HXLBEQNCGDIYGH-UYAOXDASSA-N 2 2 381.520 3.524 20 0 GHADLP CCOc1ccccc1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274811492 835585055 /nfs/dbraw/zinc/58/50/55/835585055.db2.gz HXLBEQNCGDIYGH-UYAOXDASSA-N 2 2 381.520 3.524 20 0 GHADLP CCCCc1oc2ccccc2c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000513002081 844096099 /nfs/dbraw/zinc/09/60/99/844096099.db2.gz SIXOCQCKCFWDRB-YQQQUEKLSA-N 2 2 397.563 3.949 20 0 GHADLP CCCCc1oc2ccccc2c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000513002081 844096104 /nfs/dbraw/zinc/09/61/04/844096104.db2.gz SIXOCQCKCFWDRB-YQQQUEKLSA-N 2 2 397.563 3.949 20 0 GHADLP COc1c(F)cccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001143532794 844115822 /nfs/dbraw/zinc/11/58/22/844115822.db2.gz LPURBIKEBSFSCV-UCNVEGJOSA-N 2 2 383.511 3.962 20 0 GHADLP COc1c(F)cccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001143532794 844115828 /nfs/dbraw/zinc/11/58/28/844115828.db2.gz LPURBIKEBSFSCV-UCNVEGJOSA-N 2 2 383.511 3.962 20 0 GHADLP COc1c(F)cccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001143532794 844115833 /nfs/dbraw/zinc/11/58/33/844115833.db2.gz LPURBIKEBSFSCV-UCNVEGJOSA-N 2 2 383.511 3.962 20 0 GHADLP COc1c(F)cccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001143532794 844115838 /nfs/dbraw/zinc/11/58/38/844115838.db2.gz LPURBIKEBSFSCV-UCNVEGJOSA-N 2 2 383.511 3.962 20 0 GHADLP CC(C)[N@H+](Cc1ccc(I)cc1F)C1CC[NH+](C)CC1 ZINC001140733575 836022887 /nfs/dbraw/zinc/02/28/87/836022887.db2.gz XVDSHINJYSGDCV-UHFFFAOYSA-N 2 2 390.284 3.735 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(I)cc1F)C1CC[NH+](C)CC1 ZINC001140733575 836022898 /nfs/dbraw/zinc/02/28/98/836022898.db2.gz XVDSHINJYSGDCV-UHFFFAOYSA-N 2 2 390.284 3.735 20 0 GHADLP Cn1cc([C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2cccc(F)c2)cn1 ZINC000180068731 836053565 /nfs/dbraw/zinc/05/35/65/836053565.db2.gz NKAPDTROKJKVNH-QHCPKHFHSA-N 2 2 389.478 3.726 20 0 GHADLP CCCC[N@H+](C)CC1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000120705865 836123508 /nfs/dbraw/zinc/12/35/08/836123508.db2.gz LRKVDRDUXRWWGN-UHFFFAOYSA-N 2 2 383.540 3.526 20 0 GHADLP CCCC[N@@H+](C)CC1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000120705865 836123512 /nfs/dbraw/zinc/12/35/12/836123512.db2.gz LRKVDRDUXRWWGN-UHFFFAOYSA-N 2 2 383.540 3.526 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000174302661 836419158 /nfs/dbraw/zinc/41/91/58/836419158.db2.gz FKJZEQICBFBWMK-GOSISDBHSA-N 2 2 397.519 3.506 20 0 GHADLP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000613453185 836423085 /nfs/dbraw/zinc/42/30/85/836423085.db2.gz JCGIQICJLIPITJ-JOCHJYFZSA-N 2 2 388.596 3.983 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cnc2ccsc2c1 ZINC000155177015 836521118 /nfs/dbraw/zinc/52/11/18/836521118.db2.gz JMOBTTLVVCUTIA-QGZVFWFLSA-N 2 2 397.544 3.858 20 0 GHADLP Cc1cc(N2CC(c3[nH+]cn4cc(Br)ccc34)C2)nc(C(C)C)[nH+]1 ZINC001167168714 836770264 /nfs/dbraw/zinc/77/02/64/836770264.db2.gz HURDZMDYTIKLRL-UHFFFAOYSA-N 2 2 386.297 3.922 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]([C@@H](C)c2ccco2)C2CC2)CC1 ZINC000175686768 836947444 /nfs/dbraw/zinc/94/74/44/836947444.db2.gz MPMKQDHNJHGKRO-IBGZPJMESA-N 2 2 395.547 3.894 20 0 GHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]([C@@H](C)c2ccco2)C2CC2)CC1 ZINC000175686768 836947457 /nfs/dbraw/zinc/94/74/57/836947457.db2.gz MPMKQDHNJHGKRO-IBGZPJMESA-N 2 2 395.547 3.894 20 0 GHADLP CN(C)c1cc(Cl)cc(Cl)c1CN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685848048 837271040 /nfs/dbraw/zinc/27/10/40/837271040.db2.gz UDCSBBYYIYJUDS-QGZVFWFLSA-N 2 2 399.410 3.660 20 0 GHADLP CN(C)c1cc(Cl)cc(Cl)c1CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685848048 837271044 /nfs/dbraw/zinc/27/10/44/837271044.db2.gz UDCSBBYYIYJUDS-QGZVFWFLSA-N 2 2 399.410 3.660 20 0 GHADLP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)c1 ZINC000415909110 838254603 /nfs/dbraw/zinc/25/46/03/838254603.db2.gz RRFFSDXVBWHYCV-SFHVURJKSA-N 2 2 396.535 3.715 20 0 GHADLP O=C(C[N@H+](CC1CCCCC1)C1CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000052244999 838316753 /nfs/dbraw/zinc/31/67/53/838316753.db2.gz LMWIOEJPVBMPQC-UHFFFAOYSA-N 2 2 385.552 3.502 20 0 GHADLP O=C(C[N@@H+](CC1CCCCC1)C1CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000052244999 838316761 /nfs/dbraw/zinc/31/67/61/838316761.db2.gz LMWIOEJPVBMPQC-UHFFFAOYSA-N 2 2 385.552 3.502 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000415962593 838322391 /nfs/dbraw/zinc/32/23/91/838322391.db2.gz UALSXVNMLMMJLE-HKUYNNGSSA-N 2 2 392.425 3.520 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000415962593 838322394 /nfs/dbraw/zinc/32/23/94/838322394.db2.gz UALSXVNMLMMJLE-HKUYNNGSSA-N 2 2 392.425 3.520 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000683726817 838450592 /nfs/dbraw/zinc/45/05/92/838450592.db2.gz LQYSBRBBWQVGRX-UHFFFAOYSA-N 3 2 395.547 3.908 20 0 GHADLP CN(C(=O)c1csc(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000188062884 838500910 /nfs/dbraw/zinc/50/09/10/838500910.db2.gz UGEPBMIAPUIABR-SJORKVTESA-N 2 2 383.989 3.811 20 0 GHADLP CN(C(=O)c1csc(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000188062884 838500914 /nfs/dbraw/zinc/50/09/14/838500914.db2.gz UGEPBMIAPUIABR-SJORKVTESA-N 2 2 383.989 3.811 20 0 GHADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000179592293 838546412 /nfs/dbraw/zinc/54/64/12/838546412.db2.gz LURREUODQYAUBY-YYWHXJBOSA-N 2 2 378.605 3.544 20 0 GHADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000179592293 838546417 /nfs/dbraw/zinc/54/64/17/838546417.db2.gz LURREUODQYAUBY-YYWHXJBOSA-N 2 2 378.605 3.544 20 0 GHADLP CCc1oc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1C(=O)OC ZINC000549400316 838581256 /nfs/dbraw/zinc/58/12/56/838581256.db2.gz SDANRJLVRWZXDX-KUHUBIRLSA-N 2 2 376.522 3.863 20 0 GHADLP CCc1oc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1C(=O)OC ZINC000549400316 838581262 /nfs/dbraw/zinc/58/12/62/838581262.db2.gz SDANRJLVRWZXDX-KUHUBIRLSA-N 2 2 376.522 3.863 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)C2 ZINC000376678017 838619952 /nfs/dbraw/zinc/61/99/52/838619952.db2.gz GPGXOQRRJHQHLE-KRWDZBQOSA-N 2 2 382.552 3.795 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)C2 ZINC000376678017 838619954 /nfs/dbraw/zinc/61/99/54/838619954.db2.gz GPGXOQRRJHQHLE-KRWDZBQOSA-N 2 2 382.552 3.795 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)CC2 ZINC000376678017 838619957 /nfs/dbraw/zinc/61/99/57/838619957.db2.gz GPGXOQRRJHQHLE-KRWDZBQOSA-N 2 2 382.552 3.795 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)CC2 ZINC000376678017 838619959 /nfs/dbraw/zinc/61/99/59/838619959.db2.gz GPGXOQRRJHQHLE-KRWDZBQOSA-N 2 2 382.552 3.795 20 0 GHADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000275748121 838663015 /nfs/dbraw/zinc/66/30/15/838663015.db2.gz SDSGJDCPZKEVTJ-QHCPKHFHSA-N 2 2 386.503 3.753 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3cccc4ccccc43)CC2)CC1 ZINC000107578667 838782032 /nfs/dbraw/zinc/78/20/32/838782032.db2.gz GGDIAAPLYQRNCV-BJKOFHAPSA-N 2 2 391.559 3.618 20 0 GHADLP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000580192203 839027717 /nfs/dbraw/zinc/02/77/17/839027717.db2.gz DCCZGLZJIHNICX-SFHVURJKSA-N 2 2 395.595 3.737 20 0 GHADLP CC(=O)[C@H](C)CCCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124530841 839092273 /nfs/dbraw/zinc/09/22/73/839092273.db2.gz HPGOMVZJJUTJGJ-COPCDDAFSA-N 2 2 393.616 3.568 20 0 GHADLP CC(=O)[C@H](C)CCCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124530841 839092275 /nfs/dbraw/zinc/09/22/75/839092275.db2.gz HPGOMVZJJUTJGJ-COPCDDAFSA-N 2 2 393.616 3.568 20 0 GHADLP CN(CC[N@H+](C)C1CC1)c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000472678893 839094329 /nfs/dbraw/zinc/09/43/29/839094329.db2.gz OHLPODVZABEPFZ-UHFFFAOYSA-N 2 2 395.576 3.950 20 0 GHADLP CN(CC[N@@H+](C)C1CC1)c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000472678893 839094337 /nfs/dbraw/zinc/09/43/37/839094337.db2.gz OHLPODVZABEPFZ-UHFFFAOYSA-N 2 2 395.576 3.950 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cnn(Cc4ccccc4)c3)CC2)cc1 ZINC000152596996 839124322 /nfs/dbraw/zinc/12/43/22/839124322.db2.gz IEKFNEUOFBLBJB-UHFFFAOYSA-N 2 2 392.522 3.867 20 0 GHADLP Cc1ccccc1CCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124857115 839253509 /nfs/dbraw/zinc/25/35/09/839253509.db2.gz ZYVXCDQLKDBPEU-DHIUTWEWSA-N 2 2 385.596 3.723 20 0 GHADLP Cc1ccccc1CCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124857115 839253519 /nfs/dbraw/zinc/25/35/19/839253519.db2.gz ZYVXCDQLKDBPEU-DHIUTWEWSA-N 2 2 385.596 3.723 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000183446490 839306916 /nfs/dbraw/zinc/30/69/16/839306916.db2.gz HJWMORHTGZNLFK-KRWDZBQOSA-N 2 2 388.487 3.891 20 0 GHADLP CC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278826658 839462948 /nfs/dbraw/zinc/46/29/48/839462948.db2.gz HZMOERFWRMHDOH-MRXNPFEDSA-N 2 2 394.519 3.629 20 0 GHADLP Cc1ccccc1C1(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000601475141 840129037 /nfs/dbraw/zinc/12/90/37/840129037.db2.gz VIMWDNFWADVQOL-QFIPXVFZSA-N 2 2 397.607 3.824 20 0 GHADLP Cc1ccccc1C1(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000601475141 840129043 /nfs/dbraw/zinc/12/90/43/840129043.db2.gz VIMWDNFWADVQOL-QFIPXVFZSA-N 2 2 397.607 3.824 20 0 GHADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000416913036 840275902 /nfs/dbraw/zinc/27/59/02/840275902.db2.gz KDXFFTGDDAEYGN-JOCHJYFZSA-N 2 2 391.519 3.554 20 0 GHADLP Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c(N(C)C)[nH+]1 ZINC000162340563 840451546 /nfs/dbraw/zinc/45/15/46/840451546.db2.gz OCCFRJLWOMGRPU-MRXNPFEDSA-N 2 2 387.553 3.551 20 0 GHADLP Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(N(C)C)[nH+]1 ZINC000162340563 840451555 /nfs/dbraw/zinc/45/15/55/840451555.db2.gz OCCFRJLWOMGRPU-MRXNPFEDSA-N 2 2 387.553 3.551 20 0 GHADLP C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278828405 840992963 /nfs/dbraw/zinc/99/29/63/840992963.db2.gz IDHKKOBQHDSKTM-OAHLLOKOSA-N 2 2 378.480 3.605 20 0 GHADLP Cn1ccnc1COc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000660677281 841090687 /nfs/dbraw/zinc/09/06/87/841090687.db2.gz YEHIBNFDWPEBLY-UHFFFAOYSA-N 2 2 390.531 3.753 20 0 GHADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000651682000 841332333 /nfs/dbraw/zinc/33/23/33/841332333.db2.gz IMSFGURKQLVBNQ-UHFFFAOYSA-N 2 2 390.531 3.611 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)c1ccccc1 ZINC000060532049 841368657 /nfs/dbraw/zinc/36/86/57/841368657.db2.gz VZJIRWIFZHTSGU-NRFANRHFSA-N 2 2 398.551 3.932 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)NCCCc3ccccc3)C2)s1 ZINC000581551404 841653553 /nfs/dbraw/zinc/65/35/53/841653553.db2.gz MDYQSILKFOLQEJ-OAQYLSRUSA-N 2 2 399.604 3.559 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)NCCCc3ccccc3)C2)s1 ZINC000581551404 841653560 /nfs/dbraw/zinc/65/35/60/841653560.db2.gz MDYQSILKFOLQEJ-OAQYLSRUSA-N 2 2 399.604 3.559 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)NCCCc3ccccc3)C2)s1 ZINC000581551404 841653568 /nfs/dbraw/zinc/65/35/68/841653568.db2.gz MDYQSILKFOLQEJ-OAQYLSRUSA-N 2 2 399.604 3.559 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)NCCCc3ccccc3)C2)s1 ZINC000581551404 841653576 /nfs/dbraw/zinc/65/35/76/841653576.db2.gz MDYQSILKFOLQEJ-OAQYLSRUSA-N 2 2 399.604 3.559 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)NCCCc3ccccc3)C2)s1 ZINC000581551403 841653636 /nfs/dbraw/zinc/65/36/36/841653636.db2.gz MDYQSILKFOLQEJ-NRFANRHFSA-N 2 2 399.604 3.559 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)NCCCc3ccccc3)C2)s1 ZINC000581551403 841653642 /nfs/dbraw/zinc/65/36/42/841653642.db2.gz MDYQSILKFOLQEJ-NRFANRHFSA-N 2 2 399.604 3.559 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)NCCCc3ccccc3)C2)s1 ZINC000581551403 841653646 /nfs/dbraw/zinc/65/36/46/841653646.db2.gz MDYQSILKFOLQEJ-NRFANRHFSA-N 2 2 399.604 3.559 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)NCCCc3ccccc3)C2)s1 ZINC000581551403 841653655 /nfs/dbraw/zinc/65/36/55/841653655.db2.gz MDYQSILKFOLQEJ-NRFANRHFSA-N 2 2 399.604 3.559 20 0 GHADLP COC[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000651822237 841662341 /nfs/dbraw/zinc/66/23/41/841662341.db2.gz PJWJOIZZSFOSEC-OAQYLSRUSA-N 2 2 375.557 3.650 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccsc1 ZINC000474866635 861242384 /nfs/dbraw/zinc/24/23/84/861242384.db2.gz DHWRWEZTBBXGKB-BEFAXECRSA-N 2 2 388.581 3.899 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045807072 841794069 /nfs/dbraw/zinc/79/40/69/841794069.db2.gz YQFWHCSXWGSNLI-UHFFFAOYSA-N 2 2 393.959 3.875 20 0 GHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2cccc3c2OC(F)(F)O3)CC1 ZINC000623617589 861248539 /nfs/dbraw/zinc/24/85/39/861248539.db2.gz CQBPNPFTKNRFCX-UHFFFAOYSA-N 2 2 380.357 3.557 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893487732 842039318 /nfs/dbraw/zinc/03/93/18/842039318.db2.gz MBIMLBRICCJTGL-JKSUJKDBSA-N 2 2 389.544 3.566 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487732 842039328 /nfs/dbraw/zinc/03/93/28/842039328.db2.gz MBIMLBRICCJTGL-JKSUJKDBSA-N 2 2 389.544 3.566 20 0 GHADLP CC[N@H+](CCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)C1CCCCC1 ZINC000652236914 842097415 /nfs/dbraw/zinc/09/74/15/842097415.db2.gz CFVNTBRBYQXYIA-INIZCTEOSA-N 2 2 384.561 3.925 20 0 GHADLP CC[N@@H+](CCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)C1CCCCC1 ZINC000652236914 842097425 /nfs/dbraw/zinc/09/74/25/842097425.db2.gz CFVNTBRBYQXYIA-INIZCTEOSA-N 2 2 384.561 3.925 20 0 GHADLP CN(C(=O)C(C1CCC1)C1CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000581847375 842283934 /nfs/dbraw/zinc/28/39/34/842283934.db2.gz HEHOLGFLIBBCJF-FGZHOGPDSA-N 2 2 389.628 3.998 20 0 GHADLP CN(C(=O)C(C1CCC1)C1CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000581847375 842283946 /nfs/dbraw/zinc/28/39/46/842283946.db2.gz HEHOLGFLIBBCJF-FGZHOGPDSA-N 2 2 389.628 3.998 20 0 GHADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000512045857 842311966 /nfs/dbraw/zinc/31/19/66/842311966.db2.gz OJRQTTHLMKRHDK-IERDGZPVSA-N 2 2 389.565 3.620 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cscc2Br)[C@H](C)C1 ZINC000512050294 842336638 /nfs/dbraw/zinc/33/66/38/842336638.db2.gz CFNOAQGYTVLEDN-CZUORRHYSA-N 2 2 375.376 3.737 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cscc2Br)[C@H](C)C1 ZINC000512050294 842336651 /nfs/dbraw/zinc/33/66/51/842336651.db2.gz CFNOAQGYTVLEDN-CZUORRHYSA-N 2 2 375.376 3.737 20 0 GHADLP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481417134 861339952 /nfs/dbraw/zinc/33/99/52/861339952.db2.gz QPAMCCHMLDNUSF-MHECFPHRSA-N 2 2 398.522 3.950 20 0 GHADLP Fc1cc(Br)cc(OCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000525833623 843040493 /nfs/dbraw/zinc/04/04/93/843040493.db2.gz AUDHIXTUMPLUKB-UHFFFAOYSA-N 2 2 394.288 3.939 20 0 GHADLP Cc1cc(Br)c(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000662272403 843043943 /nfs/dbraw/zinc/04/39/43/843043943.db2.gz FUWVLEQZIOSDOI-CQSZACIVSA-N 2 2 387.749 3.598 20 0 GHADLP Cc1cc(Br)c(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000662272403 843043956 /nfs/dbraw/zinc/04/39/56/843043956.db2.gz FUWVLEQZIOSDOI-CQSZACIVSA-N 2 2 387.749 3.598 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1OC)c1ccccc1Cl ZINC000430855318 843084530 /nfs/dbraw/zinc/08/45/30/843084530.db2.gz SATLOAAQXZSUPJ-ICSRJNTNSA-N 2 2 389.927 3.548 20 0 GHADLP CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@@H+]3CC[C@@H]([NH3+])[C@H](C)C3)ccc21 ZINC000430947372 843230728 /nfs/dbraw/zinc/23/07/28/843230728.db2.gz DNNBVZZJVTWWEM-GQIGUUNPSA-N 2 2 378.520 3.811 20 0 GHADLP CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)ccc21 ZINC000430947372 843230735 /nfs/dbraw/zinc/23/07/35/843230735.db2.gz DNNBVZZJVTWWEM-GQIGUUNPSA-N 2 2 378.520 3.811 20 0 GHADLP CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)ccc21 ZINC000430947374 843231312 /nfs/dbraw/zinc/23/13/12/843231312.db2.gz DNNBVZZJVTWWEM-TWOQFEAHSA-N 2 2 378.520 3.811 20 0 GHADLP CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)ccc21 ZINC000430947374 843231322 /nfs/dbraw/zinc/23/13/22/843231322.db2.gz DNNBVZZJVTWWEM-TWOQFEAHSA-N 2 2 378.520 3.811 20 0 GHADLP Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512287664 843331867 /nfs/dbraw/zinc/33/18/67/843331867.db2.gz UWFLJWAYYRTOLD-PXDATVDWSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512287664 843331876 /nfs/dbraw/zinc/33/18/76/843331876.db2.gz UWFLJWAYYRTOLD-PXDATVDWSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512287664 843331888 /nfs/dbraw/zinc/33/18/88/843331888.db2.gz UWFLJWAYYRTOLD-PXDATVDWSA-N 2 2 391.559 3.598 20 0 GHADLP Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512287664 843331905 /nfs/dbraw/zinc/33/19/05/843331905.db2.gz UWFLJWAYYRTOLD-PXDATVDWSA-N 2 2 391.559 3.598 20 0 GHADLP CC(CC[NH+]1CCC[C@H](c2cc[nH]n2)C1)CC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000662504953 843350955 /nfs/dbraw/zinc/35/09/55/843350955.db2.gz NNOMFXZPGXLNEX-PMACEKPBSA-N 2 2 384.572 3.608 20 0 GHADLP CC(CC[NH+]1CCC[C@H](c2cc[nH]n2)C1)CC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000662504953 843350964 /nfs/dbraw/zinc/35/09/64/843350964.db2.gz NNOMFXZPGXLNEX-PMACEKPBSA-N 2 2 384.572 3.608 20 0 GHADLP CC(CC[NH+]1CCC[C@H](c2ccn[nH]2)C1)CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000662504953 843350975 /nfs/dbraw/zinc/35/09/75/843350975.db2.gz NNOMFXZPGXLNEX-PMACEKPBSA-N 2 2 384.572 3.608 20 0 GHADLP CC(CC[NH+]1CCC[C@H](c2ccn[nH]2)C1)CC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000662504953 843350985 /nfs/dbraw/zinc/35/09/85/843350985.db2.gz NNOMFXZPGXLNEX-PMACEKPBSA-N 2 2 384.572 3.608 20 0 GHADLP O=C(NCCCCNc1cccc[nH+]1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625276497 861410331 /nfs/dbraw/zinc/41/03/31/861410331.db2.gz NMZUMQYPBXBFTK-FCHUYYIVSA-N 2 2 392.547 3.548 20 0 GHADLP O=C(NCCCCNc1cccc[nH+]1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625276497 861410337 /nfs/dbraw/zinc/41/03/37/861410337.db2.gz NMZUMQYPBXBFTK-FCHUYYIVSA-N 2 2 392.547 3.548 20 0 GHADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329434906 861419892 /nfs/dbraw/zinc/41/98/92/861419892.db2.gz JJOBOIRSUWLVFS-WOJBJXKFSA-N 2 2 395.551 3.689 20 0 GHADLP Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)n2c1 ZINC000893706958 843547128 /nfs/dbraw/zinc/54/71/28/843547128.db2.gz NFGPTDYQQSTACH-GOSISDBHSA-N 2 2 375.451 3.750 20 0 GHADLP CN(C(=O)Nc1ccccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165546880 843555082 /nfs/dbraw/zinc/55/50/82/843555082.db2.gz HPQNWCVIVMULFN-UXHICEINSA-N 2 2 376.520 3.627 20 0 GHADLP CN(C(=O)Nc1ccccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165546880 843555092 /nfs/dbraw/zinc/55/50/92/843555092.db2.gz HPQNWCVIVMULFN-UXHICEINSA-N 2 2 376.520 3.627 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1cccs1 ZINC000043517675 843558412 /nfs/dbraw/zinc/55/84/12/843558412.db2.gz PCHBBDDQJOXPES-HNNXBMFYSA-N 2 2 393.582 3.615 20 0 GHADLP CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604209277 843652908 /nfs/dbraw/zinc/65/29/08/843652908.db2.gz NKPFTUPXAPRECU-WWNPGLIZSA-N 2 2 398.595 3.523 20 0 GHADLP CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604209277 843652911 /nfs/dbraw/zinc/65/29/11/843652911.db2.gz NKPFTUPXAPRECU-WWNPGLIZSA-N 2 2 398.595 3.523 20 0 GHADLP Brc1ccc(C[N@H+](CCCC2CCOCC2)CCn2cc[nH+]c2)o1 ZINC000510871845 843679311 /nfs/dbraw/zinc/67/93/11/843679311.db2.gz JBUFMGNRAUCBIQ-UHFFFAOYSA-N 2 2 396.329 3.948 20 0 GHADLP Brc1ccc(C[N@@H+](CCCC2CCOCC2)CCn2cc[nH+]c2)o1 ZINC000510871845 843679315 /nfs/dbraw/zinc/67/93/15/843679315.db2.gz JBUFMGNRAUCBIQ-UHFFFAOYSA-N 2 2 396.329 3.948 20 0 GHADLP CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]([NH3+])c3ccccc3)cc2Cl)CC1 ZINC000236806091 843709035 /nfs/dbraw/zinc/70/90/35/843709035.db2.gz JLWCYBGWMYRVMP-HXUWFJFHSA-N 2 2 386.927 3.511 20 0 GHADLP CCc1cccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535853797 844794734 /nfs/dbraw/zinc/79/47/34/844794734.db2.gz FKCCVWATEQKOEH-PKTZIBPZSA-N 2 2 385.596 3.587 20 0 GHADLP CCc1cccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535853797 844794741 /nfs/dbraw/zinc/79/47/41/844794741.db2.gz FKCCVWATEQKOEH-PKTZIBPZSA-N 2 2 385.596 3.587 20 0 GHADLP COC1CC[NH+](C(C)(C)CNC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000513234521 845073383 /nfs/dbraw/zinc/07/33/83/845073383.db2.gz YGELBKQJISGQDQ-UHFFFAOYSA-N 2 2 394.003 3.783 20 0 GHADLP c1nc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nn1-c1ccccc1 ZINC000433125865 845459215 /nfs/dbraw/zinc/45/92/15/845459215.db2.gz AFZIZEMALWIQBO-UHFFFAOYSA-N 2 2 387.531 3.755 20 0 GHADLP c1nc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nn1-c1ccccc1 ZINC000433125865 845459220 /nfs/dbraw/zinc/45/92/20/845459220.db2.gz AFZIZEMALWIQBO-UHFFFAOYSA-N 2 2 387.531 3.755 20 0 GHADLP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc(C)ccc1OC ZINC000179414013 861570334 /nfs/dbraw/zinc/57/03/34/861570334.db2.gz UTVHJQJFUHTAIB-QFIPXVFZSA-N 2 2 398.547 3.956 20 0 GHADLP O=C(CC[NH2+][C@@H](c1cccs1)C1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000179417602 861571852 /nfs/dbraw/zinc/57/18/52/861571852.db2.gz HOSGWRUDGVFMKE-JOCHJYFZSA-N 2 2 398.576 3.703 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(OC)c(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000434002656 845721346 /nfs/dbraw/zinc/72/13/46/845721346.db2.gz OZJDNZJZVBEUMJ-LAUBAEHRSA-N 2 2 390.959 3.987 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(OC)c(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000434002656 845721352 /nfs/dbraw/zinc/72/13/52/845721352.db2.gz OZJDNZJZVBEUMJ-LAUBAEHRSA-N 2 2 390.959 3.987 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(OC)c(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000434002656 845721355 /nfs/dbraw/zinc/72/13/55/845721355.db2.gz OZJDNZJZVBEUMJ-LAUBAEHRSA-N 2 2 390.959 3.987 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(OC)c(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000434002656 845721357 /nfs/dbraw/zinc/72/13/57/845721357.db2.gz OZJDNZJZVBEUMJ-LAUBAEHRSA-N 2 2 390.959 3.987 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000124649245 846002989 /nfs/dbraw/zinc/00/29/89/846002989.db2.gz AGGZBYDLWNORJQ-VQTJNVASSA-N 2 2 377.598 3.774 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000124649245 846003001 /nfs/dbraw/zinc/00/30/01/846003001.db2.gz AGGZBYDLWNORJQ-VQTJNVASSA-N 2 2 377.598 3.774 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc(F)cc2Cl)CC2CC2)CC1 ZINC000511057603 846113945 /nfs/dbraw/zinc/11/39/45/846113945.db2.gz BPJVCVLHANXKCH-UHFFFAOYSA-N 2 2 395.950 3.680 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc(F)cc2Cl)CC2CC2)CC1 ZINC000511057603 846113949 /nfs/dbraw/zinc/11/39/49/846113949.db2.gz BPJVCVLHANXKCH-UHFFFAOYSA-N 2 2 395.950 3.680 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4nnc5n4CCCCC5)[C@H]3C2)cc1 ZINC000513655974 846198810 /nfs/dbraw/zinc/19/88/10/846198810.db2.gz PJRQPGRRKOOBLL-FKBYEOEOSA-N 2 2 393.579 3.785 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4nnc5n4CCCCC5)[C@H]3C2)cc1 ZINC000513655974 846198816 /nfs/dbraw/zinc/19/88/16/846198816.db2.gz PJRQPGRRKOOBLL-FKBYEOEOSA-N 2 2 393.579 3.785 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502561333 846205352 /nfs/dbraw/zinc/20/53/52/846205352.db2.gz QEBRFCOYPPXPCV-BPAFIMBUSA-N 2 2 381.923 3.605 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502561333 846205359 /nfs/dbraw/zinc/20/53/59/846205359.db2.gz QEBRFCOYPPXPCV-BPAFIMBUSA-N 2 2 381.923 3.605 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502561333 846205370 /nfs/dbraw/zinc/20/53/70/846205370.db2.gz QEBRFCOYPPXPCV-BPAFIMBUSA-N 2 2 381.923 3.605 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502561333 846205382 /nfs/dbraw/zinc/20/53/82/846205382.db2.gz QEBRFCOYPPXPCV-BPAFIMBUSA-N 2 2 381.923 3.605 20 0 GHADLP Cc1c(F)cccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000421505203 846313727 /nfs/dbraw/zinc/31/37/27/846313727.db2.gz IDLPBOAOGLJYGG-LEWJYISDSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1c(F)cccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000421505203 846313734 /nfs/dbraw/zinc/31/37/34/846313734.db2.gz IDLPBOAOGLJYGG-LEWJYISDSA-N 2 2 375.532 3.543 20 0 GHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cnn(C4CCCC4)c3)cc2)CC1 ZINC000502706205 846367406 /nfs/dbraw/zinc/36/74/06/846367406.db2.gz DWVNQNGAQSSOFM-HXUWFJFHSA-N 2 2 395.595 3.987 20 0 GHADLP CCCCOc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000158043770 846401639 /nfs/dbraw/zinc/40/16/39/846401639.db2.gz TVZXVANIKXYWOC-UHFFFAOYSA-N 2 2 390.572 3.664 20 0 GHADLP CCCCOc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000158043770 846401650 /nfs/dbraw/zinc/40/16/50/846401650.db2.gz TVZXVANIKXYWOC-UHFFFAOYSA-N 2 2 390.572 3.664 20 0 GHADLP CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000684767778 846448432 /nfs/dbraw/zinc/44/84/32/846448432.db2.gz RXKYUYRSWPNECU-FSSWDIPSSA-N 2 2 383.580 3.810 20 0 GHADLP CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000684767778 846448440 /nfs/dbraw/zinc/44/84/40/846448440.db2.gz RXKYUYRSWPNECU-FSSWDIPSSA-N 2 2 383.580 3.810 20 0 GHADLP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000501052498 846604301 /nfs/dbraw/zinc/60/43/01/846604301.db2.gz PUMLDIKBBMEFIK-CRAIPNDOSA-N 2 2 398.954 3.646 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000422009378 846748439 /nfs/dbraw/zinc/74/84/39/846748439.db2.gz AUNYWBKXOJMBDE-PKTZIBPZSA-N 2 2 383.580 3.589 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000422009378 846748445 /nfs/dbraw/zinc/74/84/45/846748445.db2.gz AUNYWBKXOJMBDE-PKTZIBPZSA-N 2 2 383.580 3.589 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)c3cc4ccccc4o3)CC2)CC1 ZINC000422015559 846768860 /nfs/dbraw/zinc/76/88/60/846768860.db2.gz GXXWOLRGVBTKHJ-SFHVURJKSA-N 2 2 383.536 3.555 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)c3cc4ccccc4o3)CC2)CC1 ZINC000422015559 846768871 /nfs/dbraw/zinc/76/88/71/846768871.db2.gz GXXWOLRGVBTKHJ-SFHVURJKSA-N 2 2 383.536 3.555 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)NCC2(c3ccccc3)CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000503086716 846791642 /nfs/dbraw/zinc/79/16/42/846791642.db2.gz LUGYNZICWWSROR-IFMALSPDSA-N 2 2 394.563 3.784 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2(c3ccccc3)CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000503086716 846791649 /nfs/dbraw/zinc/79/16/49/846791649.db2.gz LUGYNZICWWSROR-IFMALSPDSA-N 2 2 394.563 3.784 20 0 GHADLP CCC[C@@H](NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)C1CCCCC1 ZINC000422153268 846858604 /nfs/dbraw/zinc/85/86/04/846858604.db2.gz JBHBOGTXGDGLTG-JOCHJYFZSA-N 2 2 392.632 3.937 20 0 GHADLP CCC[C@@H](NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)C1CCCCC1 ZINC000422153268 846858611 /nfs/dbraw/zinc/85/86/11/846858611.db2.gz JBHBOGTXGDGLTG-JOCHJYFZSA-N 2 2 392.632 3.937 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CC(C)(C)c4ccccc43)CC2)CC1 ZINC000422182250 846898131 /nfs/dbraw/zinc/89/81/31/846898131.db2.gz GZYACRDKBQXZNQ-QFIPXVFZSA-N 2 2 398.595 3.611 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CC(C)(C)c4ccccc43)CC2)CC1 ZINC000422182250 846898139 /nfs/dbraw/zinc/89/81/39/846898139.db2.gz GZYACRDKBQXZNQ-QFIPXVFZSA-N 2 2 398.595 3.611 20 0 GHADLP Clc1cc(I)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000501406632 846909267 /nfs/dbraw/zinc/90/92/67/846909267.db2.gz OSIUAACJDMSMIR-ZIAGYGMSSA-N 2 2 390.696 3.661 20 0 GHADLP Clc1cc(I)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000501406632 846909273 /nfs/dbraw/zinc/90/92/73/846909273.db2.gz OSIUAACJDMSMIR-ZIAGYGMSSA-N 2 2 390.696 3.661 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1ccsc1 ZINC000501488851 846952126 /nfs/dbraw/zinc/95/21/26/846952126.db2.gz CVGLDGPAVPPNDK-ZWKOTPCHSA-N 2 2 394.972 3.606 20 0 GHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000272101265 846990867 /nfs/dbraw/zinc/99/08/67/846990867.db2.gz ZRNOXAZCYKMJQM-QGZVFWFLSA-N 2 2 380.467 3.944 20 0 GHADLP COc1cccc(N2CC[C@@H](C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)C2)c1 ZINC000272500021 847092902 /nfs/dbraw/zinc/09/29/02/847092902.db2.gz DPCKPJCDABIYCU-INIZCTEOSA-N 2 2 385.474 3.528 20 0 GHADLP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000420330986 847128045 /nfs/dbraw/zinc/12/80/45/847128045.db2.gz BGLRTGHBYHHZOY-HNNXBMFYSA-N 2 2 389.849 3.761 20 0 GHADLP Clc1c2ccccc2sc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000420350811 847131890 /nfs/dbraw/zinc/13/18/90/847131890.db2.gz IEDMYXCEFPZEBE-UHFFFAOYSA-N 2 2 387.940 3.629 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000420355134 847136136 /nfs/dbraw/zinc/13/61/36/847136136.db2.gz BTVGREFTRFVHRC-FCHUYYIVSA-N 2 2 387.568 3.636 20 0 GHADLP Cc1cc(C(C)(C)C)cc(C)c1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000420361760 847139081 /nfs/dbraw/zinc/13/90/81/847139081.db2.gz YMCKVPYBNNFPPX-UHFFFAOYSA-N 2 2 381.568 3.675 20 0 GHADLP [NH3+]C[C@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)C1CCCCC1 ZINC000420380272 847148817 /nfs/dbraw/zinc/14/88/17/847148817.db2.gz YHKZLVOXOWUEAA-SFHVURJKSA-N 2 2 389.341 3.903 20 0 GHADLP COc1ccccc1[C@@H](C)[NH2+]CC1(C[NH2+][C@H](C)c2ccccc2OC)COC1 ZINC000273037155 847235566 /nfs/dbraw/zinc/23/55/66/847235566.db2.gz VVDQLAYSZVFPDD-QZTJIDSGSA-N 2 2 384.520 3.722 20 0 GHADLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](c3cccnc3)C(C)C)CC2)cc1 ZINC000091266756 847297653 /nfs/dbraw/zinc/29/76/53/847297653.db2.gz AHAJGIUYZBPZIC-HSZRJFAPSA-N 2 2 382.552 3.589 20 0 GHADLP Cc1cc(CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc(C)[nH+]1 ZINC000420761380 847431325 /nfs/dbraw/zinc/43/13/25/847431325.db2.gz LMXNYIDNBYFAGQ-UHFFFAOYSA-N 2 2 380.536 3.930 20 0 GHADLP OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420962999 847582381 /nfs/dbraw/zinc/58/23/81/847582381.db2.gz LNJCKCIDMIPXNJ-FCHUYYIVSA-N 2 2 398.572 3.520 20 0 GHADLP OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420962999 847582388 /nfs/dbraw/zinc/58/23/88/847582388.db2.gz LNJCKCIDMIPXNJ-FCHUYYIVSA-N 2 2 398.572 3.520 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(C)ccc3OC(F)F)CC2)CC1 ZINC000420984658 847591461 /nfs/dbraw/zinc/59/14/61/847591461.db2.gz UDAHTWHLKHSWOR-UHFFFAOYSA-N 2 2 381.511 3.588 20 0 GHADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(C)ccc3OC(F)F)CC2)CC1 ZINC000420984658 847591466 /nfs/dbraw/zinc/59/14/66/847591466.db2.gz UDAHTWHLKHSWOR-UHFFFAOYSA-N 2 2 381.511 3.588 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(C)ccc3OC(F)F)CC2)CC1 ZINC000420984658 847591476 /nfs/dbraw/zinc/59/14/76/847591476.db2.gz UDAHTWHLKHSWOR-UHFFFAOYSA-N 2 2 381.511 3.588 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(C)ccc3OC(F)F)CC2)CC1 ZINC000420984658 847591487 /nfs/dbraw/zinc/59/14/87/847591487.db2.gz UDAHTWHLKHSWOR-UHFFFAOYSA-N 2 2 381.511 3.588 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3C)CC2)CC1 ZINC000421031116 847631695 /nfs/dbraw/zinc/63/16/95/847631695.db2.gz FOOLXBNFTWEBNQ-UHFFFAOYSA-N 2 2 378.948 3.672 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3C)CC2)CC1 ZINC000421031116 847631698 /nfs/dbraw/zinc/63/16/98/847631698.db2.gz FOOLXBNFTWEBNQ-UHFFFAOYSA-N 2 2 378.948 3.672 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(C)cc3Cl)CC2)CC1 ZINC000421035379 847634621 /nfs/dbraw/zinc/63/46/21/847634621.db2.gz LQZKQDMLWASUIC-UHFFFAOYSA-N 2 2 378.948 3.672 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(C)cc3Cl)CC2)CC1 ZINC000421035379 847634630 /nfs/dbraw/zinc/63/46/30/847634630.db2.gz LQZKQDMLWASUIC-UHFFFAOYSA-N 2 2 378.948 3.672 20 0 GHADLP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1OC ZINC000502253196 847657313 /nfs/dbraw/zinc/65/73/13/847657313.db2.gz UTQTVBDDCMOSRY-GOSISDBHSA-N 2 2 379.504 3.978 20 0 GHADLP C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503406820 847670632 /nfs/dbraw/zinc/67/06/32/847670632.db2.gz NHIBPYNNWFRLIO-AZUAARDMSA-N 2 2 392.547 3.767 20 0 GHADLP C[C@H]1CCc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503406820 847670637 /nfs/dbraw/zinc/67/06/37/847670637.db2.gz NHIBPYNNWFRLIO-AZUAARDMSA-N 2 2 392.547 3.767 20 0 GHADLP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422559924 847691624 /nfs/dbraw/zinc/69/16/24/847691624.db2.gz FDRDQRAHJCILQQ-CQSZACIVSA-N 2 2 382.348 3.887 20 0 GHADLP F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422559912 847691850 /nfs/dbraw/zinc/69/18/50/847691850.db2.gz FDRDQRAHJCILQQ-AWEZNQCLSA-N 2 2 382.348 3.887 20 0 GHADLP COc1ccc([C@@H]([NH2+]CCCn2c(C)nc3ccccc32)[C@H]2CCC[NH2+]2)cc1 ZINC000422761700 847801757 /nfs/dbraw/zinc/80/17/57/847801757.db2.gz RMEMNHWKBIRPSK-FYYLOGMGSA-N 2 2 378.520 3.826 20 0 GHADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000422884634 847869520 /nfs/dbraw/zinc/86/95/20/847869520.db2.gz SHMFQHMHEDBEQM-AVRDEDQJSA-N 2 2 381.520 3.572 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000423050363 847953494 /nfs/dbraw/zinc/95/34/94/847953494.db2.gz LRHPLVQQDHXHDH-XOKHGSTOSA-N 2 2 375.513 3.683 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000116443538 847995314 /nfs/dbraw/zinc/99/53/14/847995314.db2.gz NBBHSJPLJDDSHY-HXUWFJFHSA-N 2 2 392.478 3.540 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000116443538 847995321 /nfs/dbraw/zinc/99/53/21/847995321.db2.gz NBBHSJPLJDDSHY-HXUWFJFHSA-N 2 2 392.478 3.540 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cccnc3N3CCCC3)CC2)cc1 ZINC000657572314 848230691 /nfs/dbraw/zinc/23/06/91/848230691.db2.gz PIXXXRUDPPLTNX-UHFFFAOYSA-N 2 2 382.527 3.618 20 0 GHADLP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1OC ZINC000153185614 848247347 /nfs/dbraw/zinc/24/73/47/848247347.db2.gz NSSWORRQLDNWKO-NQIIRXRSSA-N 2 2 397.563 3.877 20 0 GHADLP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1OC ZINC000153185614 848247353 /nfs/dbraw/zinc/24/73/53/848247353.db2.gz NSSWORRQLDNWKO-NQIIRXRSSA-N 2 2 397.563 3.877 20 0 GHADLP COCCc1ccc(OC[C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000667912447 861899040 /nfs/dbraw/zinc/89/90/40/861899040.db2.gz ILTAYTZWGLXSIV-PMACEKPBSA-N 2 2 397.563 3.853 20 0 GHADLP CC(C)[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000604164213 861912639 /nfs/dbraw/zinc/91/26/39/861912639.db2.gz BAOLKPAPHJQDIE-QUCCMNQESA-N 2 2 392.975 3.505 20 0 GHADLP CC(C)[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000604164213 861912653 /nfs/dbraw/zinc/91/26/53/861912653.db2.gz BAOLKPAPHJQDIE-QUCCMNQESA-N 2 2 392.975 3.505 20 0 GHADLP c1ccc(Cn2c(C[NH+]3CCCC3)nnc2SCC[NH+]2CCCCC2)cc1 ZINC000120830372 848641819 /nfs/dbraw/zinc/64/18/19/848641819.db2.gz OTWXNEAZJHPBEO-UHFFFAOYSA-N 2 2 385.581 3.500 20 0 GHADLP CCC(CC)[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000604173457 861929007 /nfs/dbraw/zinc/92/90/07/861929007.db2.gz KPPHGEDSIVCJHE-RBBKRZOGSA-N 2 2 386.584 3.632 20 0 GHADLP CCC(CC)[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000604173457 861929019 /nfs/dbraw/zinc/92/90/19/861929019.db2.gz KPPHGEDSIVCJHE-RBBKRZOGSA-N 2 2 386.584 3.632 20 0 GHADLP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000161721214 848705365 /nfs/dbraw/zinc/70/53/65/848705365.db2.gz CMYQJSQRTPOMSK-YADHBBJMSA-N 2 2 389.503 3.995 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cnc2ccsc2c1 ZINC000162036823 848797787 /nfs/dbraw/zinc/79/77/87/848797787.db2.gz RYCBKOBDMKPZMH-QGZVFWFLSA-N 2 2 397.544 3.858 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC000583053847 848964048 /nfs/dbraw/zinc/96/40/48/848964048.db2.gz YENVFBFGUQEETF-WOJBJXKFSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC000583053847 848964054 /nfs/dbraw/zinc/96/40/54/848964054.db2.gz YENVFBFGUQEETF-WOJBJXKFSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC000583053847 848964061 /nfs/dbraw/zinc/96/40/61/848964061.db2.gz YENVFBFGUQEETF-WOJBJXKFSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC000583053847 848964065 /nfs/dbraw/zinc/96/40/65/848964065.db2.gz YENVFBFGUQEETF-WOJBJXKFSA-N 2 2 382.479 3.566 20 0 GHADLP CC(C)c1ccc(CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C2CC2)cc1 ZINC000604210191 861993707 /nfs/dbraw/zinc/99/37/07/861993707.db2.gz YKHXEIBDQRXDQS-OAQYLSRUSA-N 2 2 398.595 3.653 20 0 GHADLP CC(C)c1ccc(CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C2CC2)cc1 ZINC000604210191 861993714 /nfs/dbraw/zinc/99/37/14/861993714.db2.gz YKHXEIBDQRXDQS-OAQYLSRUSA-N 2 2 398.595 3.653 20 0 GHADLP c1ccc2nc(N3CCCCC3)c(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2c1 ZINC000657750179 849597492 /nfs/dbraw/zinc/59/74/92/849597492.db2.gz CHWXCQFQRHTASG-QFIPXVFZSA-N 2 2 394.563 3.568 20 0 GHADLP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000155905822 849693066 /nfs/dbraw/zinc/69/30/66/849693066.db2.gz ZECDGYCYACRIQS-GHTZIAJQSA-N 2 2 377.536 3.630 20 0 GHADLP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000155905822 849693070 /nfs/dbraw/zinc/69/30/70/849693070.db2.gz ZECDGYCYACRIQS-GHTZIAJQSA-N 2 2 377.536 3.630 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000423148431 849760820 /nfs/dbraw/zinc/76/08/20/849760820.db2.gz GAGACZVMJAEDLK-FDDCHVKYSA-N 3 2 386.584 3.510 20 0 GHADLP CCC(CC)[C@@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[NH+]1CCCC1 ZINC000504048827 849855811 /nfs/dbraw/zinc/85/58/11/849855811.db2.gz AAFUBWMCLWGVOI-JOCHJYFZSA-N 2 2 397.567 3.631 20 0 GHADLP Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423525967 849968519 /nfs/dbraw/zinc/96/85/19/849968519.db2.gz QBYUINJGJGZVQO-NHYWBVRUSA-N 2 2 396.354 3.520 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2cc(Cl)ccc2s1 ZINC000668687190 850118189 /nfs/dbraw/zinc/11/81/89/850118189.db2.gz JPBDAUTZULSLHT-UHFFFAOYSA-N 2 2 379.957 3.653 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2cc(Cl)ccc2s1 ZINC000668687190 850118199 /nfs/dbraw/zinc/11/81/99/850118199.db2.gz JPBDAUTZULSLHT-UHFFFAOYSA-N 2 2 379.957 3.653 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1c(Br)cnn1C ZINC000486937861 850280364 /nfs/dbraw/zinc/28/03/64/850280364.db2.gz HXJRPORZEWGRAB-HNNXBMFYSA-N 2 2 391.357 3.847 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1c(Br)cnn1C ZINC000486937861 850280369 /nfs/dbraw/zinc/28/03/69/850280369.db2.gz HXJRPORZEWGRAB-HNNXBMFYSA-N 2 2 391.357 3.847 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000518892041 850290110 /nfs/dbraw/zinc/29/01/10/850290110.db2.gz YNLBQZWRWWFLPI-LEWJYISDSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000518892041 850290118 /nfs/dbraw/zinc/29/01/18/850290118.db2.gz YNLBQZWRWWFLPI-LEWJYISDSA-N 2 2 385.939 3.724 20 0 GHADLP Cn1ncc(Br)c1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000486961727 850301359 /nfs/dbraw/zinc/30/13/59/850301359.db2.gz CNWLGPQUXPCYGI-UHFFFAOYSA-N 2 2 391.357 3.848 20 0 GHADLP Fc1cc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000435370749 850438105 /nfs/dbraw/zinc/43/81/05/850438105.db2.gz JOSRLBHXABUJJX-QGZVFWFLSA-N 2 2 379.426 3.966 20 0 GHADLP Fc1cc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000435370749 850438112 /nfs/dbraw/zinc/43/81/12/850438112.db2.gz JOSRLBHXABUJJX-QGZVFWFLSA-N 2 2 379.426 3.966 20 0 GHADLP Cn1ccnc1C[N@H+](Cc1cccc(OC2CCCC2)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435428530 850511361 /nfs/dbraw/zinc/51/13/61/850511361.db2.gz SPIYFEOUJZOTQD-JOCHJYFZSA-N 2 2 394.563 3.886 20 0 GHADLP Cn1ccnc1C[N@@H+](Cc1cccc(OC2CCCC2)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435428530 850511370 /nfs/dbraw/zinc/51/13/70/850511370.db2.gz SPIYFEOUJZOTQD-JOCHJYFZSA-N 2 2 394.563 3.886 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000515534952 851142964 /nfs/dbraw/zinc/14/29/64/851142964.db2.gz VLFPTZXCOIJSJC-PZJWPPBQSA-N 2 2 397.567 3.530 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000515534952 851142966 /nfs/dbraw/zinc/14/29/66/851142966.db2.gz VLFPTZXCOIJSJC-PZJWPPBQSA-N 2 2 397.567 3.530 20 0 GHADLP CCc1ccc([C@H](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+](C)C)cc1 ZINC000425150933 851528839 /nfs/dbraw/zinc/52/88/39/851528839.db2.gz WFWFEQJOEZQKDQ-VXKWHMMOSA-N 2 2 390.531 3.913 20 0 GHADLP CC(C)n1ncnc1C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836374 851827469 /nfs/dbraw/zinc/82/74/69/851827469.db2.gz JLVPAAPLDGRXRL-QFIPXVFZSA-N 2 2 381.568 3.982 20 0 GHADLP CC(C)n1ncnc1C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836374 851827476 /nfs/dbraw/zinc/82/74/76/851827476.db2.gz JLVPAAPLDGRXRL-QFIPXVFZSA-N 2 2 381.568 3.982 20 0 GHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000049554042 851844235 /nfs/dbraw/zinc/84/42/35/851844235.db2.gz IMCMTKNCIDPYSN-SNVBAGLBSA-N 2 2 394.151 3.650 20 0 GHADLP CO[C@@H](C)c1noc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664835964 851861084 /nfs/dbraw/zinc/86/10/84/851861084.db2.gz IWVVUBXFDJYBCB-UWJYYQICSA-N 2 2 398.551 3.900 20 0 GHADLP CO[C@@H](C)c1noc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664835964 851861092 /nfs/dbraw/zinc/86/10/92/851861092.db2.gz IWVVUBXFDJYBCB-UWJYYQICSA-N 2 2 398.551 3.900 20 0 GHADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000180713339 862294709 /nfs/dbraw/zinc/29/47/09/862294709.db2.gz OTDALHOJQHGXKG-UHFFFAOYSA-N 2 2 389.931 3.783 20 0 GHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000604599979 862301980 /nfs/dbraw/zinc/30/19/80/862301980.db2.gz XWINQZKKDNBLBG-JOCHJYFZSA-N 2 2 389.503 3.509 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCOCC1)c1ccccc1 ZINC000436469759 851953827 /nfs/dbraw/zinc/95/38/27/851953827.db2.gz FNRKYYCZGSIIGW-FQEVSTJZSA-N 3 2 394.563 3.540 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC[C@@H]21 ZINC000180734879 862306044 /nfs/dbraw/zinc/30/60/44/862306044.db2.gz JPIQGPCHAMYSML-REWPJTCUSA-N 2 2 387.531 3.850 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC[C@@H]21 ZINC000180734879 862306064 /nfs/dbraw/zinc/30/60/64/862306064.db2.gz JPIQGPCHAMYSML-REWPJTCUSA-N 2 2 387.531 3.850 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC[C@@H]21 ZINC000180734879 862306077 /nfs/dbraw/zinc/30/60/77/862306077.db2.gz JPIQGPCHAMYSML-REWPJTCUSA-N 2 2 387.531 3.850 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC[C@@H]21 ZINC000180734879 862306097 /nfs/dbraw/zinc/30/60/97/862306097.db2.gz JPIQGPCHAMYSML-REWPJTCUSA-N 2 2 387.531 3.850 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000517596188 852129647 /nfs/dbraw/zinc/12/96/47/852129647.db2.gz MIMBMXMFANLXTG-YJBOKZPZSA-N 2 2 378.442 3.538 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000517596188 852129649 /nfs/dbraw/zinc/12/96/49/852129649.db2.gz MIMBMXMFANLXTG-YJBOKZPZSA-N 2 2 378.442 3.538 20 0 GHADLP Cc1ccc(C[C@H](C)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000489708838 852538031 /nfs/dbraw/zinc/53/80/31/852538031.db2.gz AOAVHZMKBCKZPK-OYDLWJJNSA-N 2 2 399.623 3.969 20 0 GHADLP Cc1ccc(C[C@H](C)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000489708838 852538035 /nfs/dbraw/zinc/53/80/35/852538035.db2.gz AOAVHZMKBCKZPK-OYDLWJJNSA-N 2 2 399.623 3.969 20 0 GHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000427089575 852716600 /nfs/dbraw/zinc/71/66/00/852716600.db2.gz ZVXNNWZRQLRRQN-XUVXKRRUSA-N 2 2 393.934 3.746 20 0 GHADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000427089575 852716606 /nfs/dbraw/zinc/71/66/06/852716606.db2.gz ZVXNNWZRQLRRQN-XUVXKRRUSA-N 2 2 393.934 3.746 20 0 GHADLP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000427089575 852716610 /nfs/dbraw/zinc/71/66/10/852716610.db2.gz ZVXNNWZRQLRRQN-XUVXKRRUSA-N 2 2 393.934 3.746 20 0 GHADLP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000427089575 852716613 /nfs/dbraw/zinc/71/66/13/852716613.db2.gz ZVXNNWZRQLRRQN-XUVXKRRUSA-N 2 2 393.934 3.746 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000180897483 862395060 /nfs/dbraw/zinc/39/50/60/862395060.db2.gz DTHDMACSYYWCPR-QGZVFWFLSA-N 2 2 399.457 3.543 20 0 GHADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)cc1 ZINC000414949024 852839709 /nfs/dbraw/zinc/83/97/09/852839709.db2.gz ZJVGJLKARDXVPJ-OPAMFIHVSA-N 2 2 377.488 3.855 20 0 GHADLP COc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1F ZINC000192679858 852917741 /nfs/dbraw/zinc/91/77/41/852917741.db2.gz XVOSGFJAZNJAKS-HNNXBMFYSA-N 2 2 375.463 3.576 20 0 GHADLP O=C(C[C@@H]1CC[NH2+]C1)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000427308704 852967114 /nfs/dbraw/zinc/96/71/14/852967114.db2.gz MQZARXHOIDQGOF-MBSDFSHPSA-N 2 2 397.950 3.573 20 0 GHADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000518244752 853104196 /nfs/dbraw/zinc/10/41/96/853104196.db2.gz BNKGUBWKXWDIJS-IBGZPJMESA-N 2 2 398.378 3.948 20 0 GHADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000518244752 853104201 /nfs/dbraw/zinc/10/42/01/853104201.db2.gz BNKGUBWKXWDIJS-IBGZPJMESA-N 2 2 398.378 3.948 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@H](c2ccc(OC)cc2Br)C(C)C)CC1 ZINC000516897066 853139481 /nfs/dbraw/zinc/13/94/81/853139481.db2.gz ZNGAGCRWPABUSA-IBGZPJMESA-N 2 2 399.373 3.855 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000437558205 853258109 /nfs/dbraw/zinc/25/81/09/853258109.db2.gz PFOMHGJJIZDWSV-QGZVFWFLSA-N 2 2 391.585 3.515 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000437558205 853258119 /nfs/dbraw/zinc/25/81/19/853258119.db2.gz PFOMHGJJIZDWSV-QGZVFWFLSA-N 2 2 391.585 3.515 20 0 GHADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@@H](C)c3nnnn3C3CCCCC3)C1)CCCC2 ZINC000329943169 862445381 /nfs/dbraw/zinc/44/53/81/862445381.db2.gz HOXAKAPYOPSCRT-MAUKXSAKSA-N 2 2 383.544 3.570 20 0 GHADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@@H](C)c3nnnn3C3CCCCC3)C1)CCCC2 ZINC000329943169 862445387 /nfs/dbraw/zinc/44/53/87/862445387.db2.gz HOXAKAPYOPSCRT-MAUKXSAKSA-N 2 2 383.544 3.570 20 0 GHADLP CC(C)[NH+]1CCC([NH+]2CCN(c3ncnc4sc5ccccc5c43)CC2)CC1 ZINC000440674078 853509865 /nfs/dbraw/zinc/50/98/65/853509865.db2.gz KHSCZOPUFGQRGO-UHFFFAOYSA-N 2 2 395.576 3.839 20 0 GHADLP CC[NH+]1CCC(CCNC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000440877686 853706934 /nfs/dbraw/zinc/70/69/34/853706934.db2.gz UCEDKHIQEHBNAV-QFIPXVFZSA-N 2 2 397.567 3.662 20 0 GHADLP Cc1ccc([C@@H](OC[C@H](O)C[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c2ccccc2)cc1 ZINC000571413894 853873370 /nfs/dbraw/zinc/87/33/70/853873370.db2.gz BQYIBFHQYNQGDH-LIONHTAISA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccc([C@@H](OC[C@H](O)C[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c2ccccc2)cc1 ZINC000571413894 853873381 /nfs/dbraw/zinc/87/33/81/853873381.db2.gz BQYIBFHQYNQGDH-LIONHTAISA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccc([C@@H](OC[C@H](O)C[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c2ccccc2)cc1 ZINC000571413894 853873385 /nfs/dbraw/zinc/87/33/85/853873385.db2.gz BQYIBFHQYNQGDH-LIONHTAISA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccc([C@@H](OC[C@H](O)C[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c2ccccc2)cc1 ZINC000571413894 853873390 /nfs/dbraw/zinc/87/33/90/853873390.db2.gz BQYIBFHQYNQGDH-LIONHTAISA-N 2 2 394.559 3.630 20 0 GHADLP C[N@H+](CCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C1CCCCC1 ZINC000520189198 853938579 /nfs/dbraw/zinc/93/85/79/853938579.db2.gz ZCIWSTZNOQULKV-NRFANRHFSA-N 2 2 389.609 3.547 20 0 GHADLP C[N@@H+](CCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C1CCCCC1 ZINC000520189198 853938583 /nfs/dbraw/zinc/93/85/83/853938583.db2.gz ZCIWSTZNOQULKV-NRFANRHFSA-N 2 2 389.609 3.547 20 0 GHADLP Oc1cccc(C[NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000520208045 853957174 /nfs/dbraw/zinc/95/71/74/853957174.db2.gz XOEPEGZSIFRBRL-UHFFFAOYSA-N 2 2 393.453 3.713 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NCCc2ccccc2)c(C)c1 ZINC000441376732 854159382 /nfs/dbraw/zinc/15/93/82/854159382.db2.gz FNFFAIKIINKESJ-NZQKXSOJSA-N 2 2 390.531 3.578 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(Br)cc1 ZINC000588687354 854359039 /nfs/dbraw/zinc/35/90/39/854359039.db2.gz DSKMYYHRPSJZNF-KXBFYZLASA-N 2 2 377.326 3.593 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(Br)cc1 ZINC000588687354 854359043 /nfs/dbraw/zinc/35/90/43/854359043.db2.gz DSKMYYHRPSJZNF-KXBFYZLASA-N 2 2 377.326 3.593 20 0 GHADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3csc(Br)c3)CC2)C[C@H](C)O1 ZINC000588712110 854370408 /nfs/dbraw/zinc/37/04/08/854370408.db2.gz YUDZPOJBJUBUPE-KBPBESRZSA-N 2 2 387.387 3.832 20 0 GHADLP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc(C)sc1C ZINC000623982118 862565853 /nfs/dbraw/zinc/56/58/53/862565853.db2.gz DOWOMFQOCCQEOL-AQDPXUSMSA-N 2 2 377.598 3.879 20 0 GHADLP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc(C)sc1C ZINC000623982118 862565862 /nfs/dbraw/zinc/56/58/62/862565862.db2.gz DOWOMFQOCCQEOL-AQDPXUSMSA-N 2 2 377.598 3.879 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncnc4sc(-c5ccccc5)cc43)C2)CC1 ZINC000732920944 862591187 /nfs/dbraw/zinc/59/11/87/862591187.db2.gz OZURUNYHASMDRS-KRWDZBQOSA-N 2 2 393.560 3.939 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncnc4sc(-c5ccccc5)cc43)C2)CC1 ZINC000732920944 862591197 /nfs/dbraw/zinc/59/11/97/862591197.db2.gz OZURUNYHASMDRS-KRWDZBQOSA-N 2 2 393.560 3.939 20 0 GHADLP CC(C)c1ccc([C@H](CNC(=O)C[NH+](C)C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000589311218 854804573 /nfs/dbraw/zinc/80/45/73/854804573.db2.gz FHUOSPZCNKRXET-FQEVSTJZSA-N 2 2 385.577 3.649 20 0 GHADLP CC(C)c1ccc([C@H](CNC(=O)C[NH+](C)C)[N@H+]2CCc3sccc3C2)cc1 ZINC000589311218 854804574 /nfs/dbraw/zinc/80/45/74/854804574.db2.gz FHUOSPZCNKRXET-FQEVSTJZSA-N 2 2 385.577 3.649 20 0 GHADLP [NH3+]CCCCC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000572635705 854936163 /nfs/dbraw/zinc/93/61/63/854936163.db2.gz CWKRXOIZMDZBFE-JOCHJYFZSA-N 2 2 385.939 3.703 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000444815139 854943329 /nfs/dbraw/zinc/94/33/29/854943329.db2.gz UXPDZVDNSZUJBZ-GUYCJALGSA-N 2 2 393.318 3.712 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000444815139 854943336 /nfs/dbraw/zinc/94/33/36/854943336.db2.gz UXPDZVDNSZUJBZ-GUYCJALGSA-N 2 2 393.318 3.712 20 0 GHADLP Cc1[nH+]ccn1CC[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000589841604 855159716 /nfs/dbraw/zinc/15/97/16/855159716.db2.gz VOOVPNBBSHFQRD-UHFFFAOYSA-N 2 2 377.311 3.867 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000590155504 855301756 /nfs/dbraw/zinc/30/17/56/855301756.db2.gz IUJSFMQKZPYHAB-RXVVDRJESA-N 2 2 395.551 3.873 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000590155504 855301761 /nfs/dbraw/zinc/30/17/61/855301761.db2.gz IUJSFMQKZPYHAB-RXVVDRJESA-N 2 2 395.551 3.873 20 0 GHADLP Cc1cc(C)c(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c[nH+]1 ZINC000459072970 855383736 /nfs/dbraw/zinc/38/37/36/855383736.db2.gz IXIDTSUKXQPFFT-DENIHFKCSA-N 2 2 380.536 3.893 20 0 GHADLP Cc1cc(C)c(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c[nH+]1 ZINC000459072970 855383745 /nfs/dbraw/zinc/38/37/45/855383745.db2.gz IXIDTSUKXQPFFT-DENIHFKCSA-N 2 2 380.536 3.893 20 0 GHADLP Cc1cc(C)c(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c[nH+]1 ZINC000459072971 855383965 /nfs/dbraw/zinc/38/39/65/855383965.db2.gz IXIDTSUKXQPFFT-KNQAVFIVSA-N 2 2 380.536 3.893 20 0 GHADLP Cc1cc(C)c(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c[nH+]1 ZINC000459072971 855383970 /nfs/dbraw/zinc/38/39/70/855383970.db2.gz IXIDTSUKXQPFFT-KNQAVFIVSA-N 2 2 380.536 3.893 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1 ZINC000180642812 855488349 /nfs/dbraw/zinc/48/83/49/855488349.db2.gz PKHFNPGFOWKDEB-HXUWFJFHSA-N 2 2 383.540 3.859 20 0 GHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1 ZINC000180642812 855488353 /nfs/dbraw/zinc/48/83/53/855488353.db2.gz PKHFNPGFOWKDEB-HXUWFJFHSA-N 2 2 383.540 3.859 20 0 GHADLP CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c2ccccc2)CC1 ZINC000590859554 855633107 /nfs/dbraw/zinc/63/31/07/855633107.db2.gz JYLQXOLBAJUEEP-YADHBBJMSA-N 2 2 395.551 3.703 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000573079039 855856915 /nfs/dbraw/zinc/85/69/15/855856915.db2.gz PNUPGXDGDKZSQW-FYYLOGMGSA-N 3 2 387.531 3.530 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000573079039 855856920 /nfs/dbraw/zinc/85/69/20/855856920.db2.gz PNUPGXDGDKZSQW-FYYLOGMGSA-N 3 2 387.531 3.530 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181097288 862749385 /nfs/dbraw/zinc/74/93/85/862749385.db2.gz YPGKAYFJPWBCBD-QFIPXVFZSA-N 2 2 392.503 3.984 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181097288 862749395 /nfs/dbraw/zinc/74/93/95/862749395.db2.gz YPGKAYFJPWBCBD-QFIPXVFZSA-N 2 2 392.503 3.984 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1cccc(OC)c1 ZINC000303645190 856118905 /nfs/dbraw/zinc/11/89/05/856118905.db2.gz CHCWWYWTCYSYDA-JOCHJYFZSA-N 2 2 392.503 3.694 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)c2)cs1 ZINC000674322521 856165757 /nfs/dbraw/zinc/16/57/57/856165757.db2.gz TUIKLHNEXMLAIX-SFHVURJKSA-N 2 2 381.505 3.591 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)c2)cs1 ZINC000674322521 856165762 /nfs/dbraw/zinc/16/57/62/856165762.db2.gz TUIKLHNEXMLAIX-SFHVURJKSA-N 2 2 381.505 3.591 20 0 GHADLP CC(C)[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccccc1 ZINC000428839640 856219311 /nfs/dbraw/zinc/21/93/11/856219311.db2.gz LCBFPRVTJGKHLN-FQEVSTJZSA-N 2 2 380.536 3.592 20 0 GHADLP CC(C)[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccccc1 ZINC000428839640 856219322 /nfs/dbraw/zinc/21/93/22/856219322.db2.gz LCBFPRVTJGKHLN-FQEVSTJZSA-N 2 2 380.536 3.592 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000780563723 856336004 /nfs/dbraw/zinc/33/60/04/856336004.db2.gz XXHFGINSOJUXMR-HNNXBMFYSA-N 2 2 376.526 3.813 20 0 GHADLP CC[NH+](CC)CCOc1ccc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000605121839 862786002 /nfs/dbraw/zinc/78/60/02/862786002.db2.gz RHSZVMJAWMWXKL-UHFFFAOYSA-N 2 2 392.503 3.523 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156416515 856417071 /nfs/dbraw/zinc/41/70/71/856417071.db2.gz YZSYVUIAFYSIGS-KEYYUXOJSA-N 2 2 396.413 3.692 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156416515 856417079 /nfs/dbraw/zinc/41/70/79/856417079.db2.gz YZSYVUIAFYSIGS-KEYYUXOJSA-N 2 2 396.413 3.692 20 0 GHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC000573733649 856459683 /nfs/dbraw/zinc/45/96/83/856459683.db2.gz OSEXVRHEVRPXQX-LJQANCHMSA-N 2 2 390.531 3.720 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NCCC[N@@H+](C)Cc3ccccc3)cn2c1 ZINC000043507796 856537508 /nfs/dbraw/zinc/53/75/08/856537508.db2.gz FQWYPVZGFVBIJF-UHFFFAOYSA-N 2 2 396.560 3.514 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)NCCC[N@H+](C)Cc3ccccc3)cn2c1 ZINC000043507796 856537517 /nfs/dbraw/zinc/53/75/17/856537517.db2.gz FQWYPVZGFVBIJF-UHFFFAOYSA-N 2 2 396.560 3.514 20 0 GHADLP CC[NH+](CC)Cc1nc(C2([NH2+]CCCc3ccc4c(c3)CCO4)CCCC2)no1 ZINC000482229026 862830094 /nfs/dbraw/zinc/83/00/94/862830094.db2.gz FCHPVWBCBOXXSF-UHFFFAOYSA-N 2 2 398.551 3.838 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000045675983 856749474 /nfs/dbraw/zinc/74/94/74/856749474.db2.gz JEMKFWOYBZWDRD-UHFFFAOYSA-N 2 2 392.503 3.904 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478472 856888534 /nfs/dbraw/zinc/88/85/34/856888534.db2.gz DOYHIJRNQWKAHW-MJGOQNOKSA-N 2 2 381.520 3.684 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478472 856888542 /nfs/dbraw/zinc/88/85/42/856888542.db2.gz DOYHIJRNQWKAHW-MJGOQNOKSA-N 2 2 381.520 3.684 20 0 GHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCN(c3ccc(F)cc3F)CC2)cc1 ZINC000665257151 857115003 /nfs/dbraw/zinc/11/50/03/857115003.db2.gz BAWDXLKIVNNPKQ-FPOVZHCZSA-N 2 2 389.465 3.808 20 0 GHADLP C[C@@H]1CCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000675273227 857130600 /nfs/dbraw/zinc/13/06/00/857130600.db2.gz KWXSOTRAHYOMES-FCEUIQTBSA-N 2 2 395.551 3.703 20 0 GHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)ccc1I ZINC000593020740 857169513 /nfs/dbraw/zinc/16/95/13/857169513.db2.gz PFWCHRYTZCYXJN-UHFFFAOYSA-N 2 2 389.668 3.663 20 0 GHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)ccc1I ZINC000593020740 857169524 /nfs/dbraw/zinc/16/95/24/857169524.db2.gz PFWCHRYTZCYXJN-UHFFFAOYSA-N 2 2 389.668 3.663 20 0 GHADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257604 857173694 /nfs/dbraw/zinc/17/36/94/857173694.db2.gz OEYJRTGJHFTPRG-SAWYMBPVSA-N 2 2 383.511 3.841 20 0 GHADLP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295635 857267071 /nfs/dbraw/zinc/26/70/71/857267071.db2.gz OCRLVXMHHVQIJM-MJGOQNOKSA-N 2 2 381.358 3.613 20 0 GHADLP CN(C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000486105487 857433080 /nfs/dbraw/zinc/43/30/80/857433080.db2.gz AITJJJJQLKUHBH-NHCUHLMSSA-N 2 2 378.605 3.640 20 0 GHADLP CN(C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000486105487 857433082 /nfs/dbraw/zinc/43/30/82/857433082.db2.gz AITJJJJQLKUHBH-NHCUHLMSSA-N 2 2 378.605 3.640 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)ccc21 ZINC000574272025 857488224 /nfs/dbraw/zinc/48/82/24/857488224.db2.gz WWIUYTJDXHIBFS-IBGZPJMESA-N 2 2 389.503 3.547 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)ccc21 ZINC000574272025 857488229 /nfs/dbraw/zinc/48/82/29/857488229.db2.gz WWIUYTJDXHIBFS-IBGZPJMESA-N 2 2 389.503 3.547 20 0 GHADLP c1[nH+]c([C@H]2CCC[N@@H+](CCc3nc(-c4ccccc4)no3)C2)n2c1CCCC2 ZINC000282239606 857520156 /nfs/dbraw/zinc/52/01/56/857520156.db2.gz ZWUCOEQRQWNKSF-SFHVURJKSA-N 2 2 377.492 3.692 20 0 GHADLP c1[nH+]c([C@H]2CCC[N@H+](CCc3nc(-c4ccccc4)no3)C2)n2c1CCCC2 ZINC000282239606 857520166 /nfs/dbraw/zinc/52/01/66/857520166.db2.gz ZWUCOEQRQWNKSF-SFHVURJKSA-N 2 2 377.492 3.692 20 0 GHADLP Cc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000063626015 857635369 /nfs/dbraw/zinc/63/53/69/857635369.db2.gz MTUZVPDQBHHYKP-QFIPXVFZSA-N 2 2 392.547 3.574 20 0 GHADLP Cc1ccc([C@@H]2CCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000063626015 857635374 /nfs/dbraw/zinc/63/53/74/857635374.db2.gz MTUZVPDQBHHYKP-QFIPXVFZSA-N 2 2 392.547 3.574 20 0 GHADLP CC(C)CC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000675886299 857661426 /nfs/dbraw/zinc/66/14/26/857661426.db2.gz QQDNKLUPJPGKGI-VXKWHMMOSA-N 2 2 394.003 3.813 20 0 GHADLP COc1ccc(C[C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1OC ZINC000675920283 857666267 /nfs/dbraw/zinc/66/62/67/857666267.db2.gz JVIKGJWPNBYCGY-FXAWDEMLSA-N 2 2 379.504 3.942 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)c1ccccc1 ZINC000675924371 857667571 /nfs/dbraw/zinc/66/75/71/857667571.db2.gz YARRSWWLLDLTQL-FQEVSTJZSA-N 2 2 382.552 3.721 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1cccs1 ZINC000672968241 857954463 /nfs/dbraw/zinc/95/44/63/857954463.db2.gz ALUUMKNIFWPJIW-IAGOWNOFSA-N 2 2 394.972 3.606 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C(C)C ZINC000543041363 858044985 /nfs/dbraw/zinc/04/49/85/858044985.db2.gz RAUXAKVXQQIAQL-UHFFFAOYSA-N 2 2 377.577 3.594 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000574632321 858124046 /nfs/dbraw/zinc/12/40/46/858124046.db2.gz TVAYRFHWYSWEAN-INIZCTEOSA-N 2 2 386.927 3.879 20 0 GHADLP CCN(Cc1cccc(F)c1)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543059772 858148093 /nfs/dbraw/zinc/14/80/93/858148093.db2.gz FFVVBMWMGFFGRW-UHFFFAOYSA-N 2 2 386.515 3.563 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@@H]2CCc3cc(F)ccc3C2)cs1 ZINC001168405298 858251536 /nfs/dbraw/zinc/25/15/36/858251536.db2.gz QSUHXMMQNHNEKO-QGZVFWFLSA-N 2 2 379.570 3.724 20 0 GHADLP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543096552 858328800 /nfs/dbraw/zinc/32/88/00/858328800.db2.gz HHYPANWJTIDUTD-UHFFFAOYSA-N 2 2 389.503 3.776 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[N@@H+]1C ZINC000428266869 858354995 /nfs/dbraw/zinc/35/49/95/858354995.db2.gz MATVZFSKGWQAAM-DNVCBOLYSA-N 2 2 380.458 3.865 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[N@H+]1C ZINC000428266869 858354999 /nfs/dbraw/zinc/35/49/99/858354999.db2.gz MATVZFSKGWQAAM-DNVCBOLYSA-N 2 2 380.458 3.865 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[NH+]1C ZINC000428266869 858355004 /nfs/dbraw/zinc/35/50/04/858355004.db2.gz MATVZFSKGWQAAM-DNVCBOLYSA-N 2 2 380.458 3.865 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[NH+]1C ZINC000428266869 858355011 /nfs/dbraw/zinc/35/50/11/858355011.db2.gz MATVZFSKGWQAAM-DNVCBOLYSA-N 2 2 380.458 3.865 20 0 GHADLP C[NH+]1CCC(CNC(=O)N2CCCC[C@@H]2c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000543109003 858404678 /nfs/dbraw/zinc/40/46/78/858404678.db2.gz ZDMXPPNRUFZOOI-JOCHJYFZSA-N 2 2 398.595 3.874 20 0 GHADLP CCCN(CC1CCCCC1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466135936 858427940 /nfs/dbraw/zinc/42/79/40/858427940.db2.gz CDUZZUWBOKNZRS-UHFFFAOYSA-N 2 2 392.632 3.939 20 0 GHADLP O=C1CCCN1C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000166170370 858505331 /nfs/dbraw/zinc/50/53/31/858505331.db2.gz FZOQNLMJLHROMI-OTWHNJEPSA-N 2 2 395.469 3.585 20 0 GHADLP O=C1CCCN1C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000166170370 858505335 /nfs/dbraw/zinc/50/53/35/858505335.db2.gz FZOQNLMJLHROMI-OTWHNJEPSA-N 2 2 395.469 3.585 20 0 GHADLP Cc1ccccc1[C@@H]1CCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466159689 858526154 /nfs/dbraw/zinc/52/61/54/858526154.db2.gz VMVZSHQQGSBXSN-QFIPXVFZSA-N 2 2 398.595 3.792 20 0 GHADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000595639103 858625886 /nfs/dbraw/zinc/62/58/86/858625886.db2.gz MPYDYVUHVLVLMF-FQEVSTJZSA-N 2 2 387.572 3.526 20 0 GHADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000595639103 858625890 /nfs/dbraw/zinc/62/58/90/858625890.db2.gz MPYDYVUHVLVLMF-FQEVSTJZSA-N 2 2 387.572 3.526 20 0 GHADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H](Cc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000482654575 858735817 /nfs/dbraw/zinc/73/58/17/858735817.db2.gz JPMWSEGVMVRJDH-QFBILLFUSA-N 2 2 385.310 3.928 20 0 GHADLP Cc1ccc(F)cc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183668348 858790835 /nfs/dbraw/zinc/79/08/35/858790835.db2.gz ZQHQIFSXNWHMJK-RTWAWAEBSA-N 2 2 375.532 3.543 20 0 GHADLP Cc1ccc(F)cc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183668348 858790840 /nfs/dbraw/zinc/79/08/40/858790840.db2.gz ZQHQIFSXNWHMJK-RTWAWAEBSA-N 2 2 375.532 3.543 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Br)ccc1F ZINC000765974910 858940190 /nfs/dbraw/zinc/94/01/90/858940190.db2.gz ITFFKWQQTDNUNX-XJKSGUPXSA-N 2 2 385.321 3.882 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Br)ccc1F ZINC000765974908 858940482 /nfs/dbraw/zinc/94/04/82/858940482.db2.gz ITFFKWQQTDNUNX-CZUORRHYSA-N 2 2 385.321 3.882 20 0 GHADLP C[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[N@H+]1CCCC[C@H]1C ZINC000532193298 881378443 /nfs/dbraw/zinc/37/84/43/881378443.db2.gz DVOLFANTSOZTLE-IAGOWNOFSA-N 2 2 377.960 3.797 20 0 GHADLP C[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[N@@H+]1CCCC[C@H]1C ZINC000532193298 881378423 /nfs/dbraw/zinc/37/84/23/881378423.db2.gz DVOLFANTSOZTLE-IAGOWNOFSA-N 2 2 377.960 3.797 20 0 GHADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000185523811 859092085 /nfs/dbraw/zinc/09/20/85/859092085.db2.gz FPUQZKAIOHTCDZ-KRWDZBQOSA-N 2 2 384.499 3.798 20 0 GHADLP CC1(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000483053015 859105787 /nfs/dbraw/zinc/10/57/87/859105787.db2.gz VEXGGVURJVHSNO-UHFFFAOYSA-N 2 2 388.515 3.791 20 0 GHADLP Oc1ccc(C2CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000509356307 859157204 /nfs/dbraw/zinc/15/72/04/859157204.db2.gz HPFHCBDOMJYZQZ-UHFFFAOYSA-N 2 2 379.548 3.784 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]1 ZINC000483165950 859198913 /nfs/dbraw/zinc/19/89/13/859198913.db2.gz FBXUMPRGVQOFDG-CVDCTZTESA-N 3 2 378.564 3.859 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]1 ZINC000483165950 859198916 /nfs/dbraw/zinc/19/89/16/859198916.db2.gz FBXUMPRGVQOFDG-CVDCTZTESA-N 3 2 378.564 3.859 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)n1 ZINC000483165950 859198922 /nfs/dbraw/zinc/19/89/22/859198922.db2.gz FBXUMPRGVQOFDG-CVDCTZTESA-N 2 2 378.564 3.859 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)n1 ZINC000483165950 859198924 /nfs/dbraw/zinc/19/89/24/859198924.db2.gz FBXUMPRGVQOFDG-CVDCTZTESA-N 2 2 378.564 3.859 20 0 GHADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc2ccccc21 ZINC000051759535 859313989 /nfs/dbraw/zinc/31/39/89/859313989.db2.gz OLNVEVRWJZPVAA-SFHVURJKSA-N 2 2 394.563 3.759 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1nnn(-c3ccc(Cl)cc3)c1C)CCC2 ZINC000483449929 859366994 /nfs/dbraw/zinc/36/69/94/859366994.db2.gz QIGWQURUUNVUEL-HOCLYGCPSA-N 2 2 384.915 3.962 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000429438665 859371740 /nfs/dbraw/zinc/37/17/40/859371740.db2.gz XCSLYQXSDORYCI-CQSZACIVSA-N 2 2 389.908 3.780 20 0 GHADLP O=[S@](CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483511942 859425725 /nfs/dbraw/zinc/42/57/25/859425725.db2.gz KLDOBBZQMYSNAD-JEYPMZLKSA-N 2 2 382.573 3.781 20 0 GHADLP O=[S@](CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483511942 859425729 /nfs/dbraw/zinc/42/57/29/859425729.db2.gz KLDOBBZQMYSNAD-JEYPMZLKSA-N 2 2 382.573 3.781 20 0 GHADLP O=[S@](CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483511942 859425733 /nfs/dbraw/zinc/42/57/33/859425733.db2.gz KLDOBBZQMYSNAD-JEYPMZLKSA-N 2 2 382.573 3.781 20 0 GHADLP O=[S@](CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483511942 859425735 /nfs/dbraw/zinc/42/57/35/859425735.db2.gz KLDOBBZQMYSNAD-JEYPMZLKSA-N 2 2 382.573 3.781 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000483526655 859436462 /nfs/dbraw/zinc/43/64/62/859436462.db2.gz SHBRFAVSRGWIPQ-UHFFFAOYSA-N 2 2 380.536 3.795 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000483526655 859436472 /nfs/dbraw/zinc/43/64/72/859436472.db2.gz SHBRFAVSRGWIPQ-UHFFFAOYSA-N 2 2 380.536 3.795 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000463213282 859555057 /nfs/dbraw/zinc/55/50/57/859555057.db2.gz OQOOTHKDZVHVJE-LBPRGKRZSA-N 2 2 375.270 3.703 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000463213282 859555064 /nfs/dbraw/zinc/55/50/64/859555064.db2.gz OQOOTHKDZVHVJE-LBPRGKRZSA-N 2 2 375.270 3.703 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000543397442 859568159 /nfs/dbraw/zinc/56/81/59/859568159.db2.gz NDOFDKVHIDWSKP-KRWDZBQOSA-N 2 2 397.473 3.733 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]([C@@H](C)c2ccccc2Cl)C2CC2)CC1 ZINC000114455359 859613958 /nfs/dbraw/zinc/61/39/58/859613958.db2.gz JVNAMYUOWTUXGC-INIZCTEOSA-N 2 2 377.960 3.854 20 0 GHADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]([C@@H](C)c2ccccc2Cl)C2CC2)CC1 ZINC000114455359 859613960 /nfs/dbraw/zinc/61/39/60/859613960.db2.gz JVNAMYUOWTUXGC-INIZCTEOSA-N 2 2 377.960 3.854 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000484064996 859794608 /nfs/dbraw/zinc/79/46/08/859794608.db2.gz HIVPSDKIAJFWTL-UHFFFAOYSA-N 3 2 375.520 3.924 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000484064996 859794614 /nfs/dbraw/zinc/79/46/14/859794614.db2.gz HIVPSDKIAJFWTL-UHFFFAOYSA-N 3 2 375.520 3.924 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C[C@@H]1C(F)(F)F ZINC001168537517 859813731 /nfs/dbraw/zinc/81/37/31/859813731.db2.gz DMPYZYUJZYLGLC-LSDHHAIUSA-N 2 2 398.429 3.754 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cc(F)c(F)c(F)c1 ZINC000484149219 859836465 /nfs/dbraw/zinc/83/64/65/859836465.db2.gz VWTDQGCQBZZTQE-GZRFBZBPSA-N 2 2 378.438 3.638 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cc(F)c(F)c(F)c1 ZINC000484149219 859836472 /nfs/dbraw/zinc/83/64/72/859836472.db2.gz VWTDQGCQBZZTQE-GZRFBZBPSA-N 2 2 378.438 3.638 20 0 GHADLP Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602197568 859858710 /nfs/dbraw/zinc/85/87/10/859858710.db2.gz VTENDTZMTYRKEB-GOSISDBHSA-N 2 2 391.515 3.793 20 0 GHADLP Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602197568 859858719 /nfs/dbraw/zinc/85/87/19/859858719.db2.gz VTENDTZMTYRKEB-GOSISDBHSA-N 2 2 391.515 3.793 20 0 GHADLP CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000015550612 860131184 /nfs/dbraw/zinc/13/11/84/860131184.db2.gz YMAFYCWYJRMTKS-HSZRJFAPSA-N 2 2 399.510 3.583 20 0 GHADLP c1ccc(N2CC[NH+](CCC[NH+]3CCC(CCC[NH+]4CCCC4)CC3)CC2)cc1 ZINC000508969132 860330102 /nfs/dbraw/zinc/33/01/02/860330102.db2.gz UQZRUCVOKMVCJY-UHFFFAOYSA-N 3 2 398.639 3.787 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1ncc[nH]1 ZINC000285868056 860387450 /nfs/dbraw/zinc/38/74/50/860387450.db2.gz YUPTXWLCGIJTDP-IBGZPJMESA-N 2 2 375.520 3.583 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@](C)(O)c3ccccc3Cl)CC2)cc1 ZINC000765674469 860394912 /nfs/dbraw/zinc/39/49/12/860394912.db2.gz CIZLSCWZQMSYRA-QFIPXVFZSA-N 2 2 387.955 3.872 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000444788919 860424495 /nfs/dbraw/zinc/42/44/95/860424495.db2.gz BHHUGSVMZUHHBG-GOSISDBHSA-N 2 2 386.515 3.566 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000444788919 860424501 /nfs/dbraw/zinc/42/45/01/860424501.db2.gz BHHUGSVMZUHHBG-GOSISDBHSA-N 2 2 386.515 3.566 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c(OC)c1 ZINC000508991578 860455863 /nfs/dbraw/zinc/45/58/63/860455863.db2.gz NXHZBIWJBOQFGA-LJQANCHMSA-N 2 2 383.536 3.567 20 0 GHADLP CSc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000116287732 860505426 /nfs/dbraw/zinc/50/54/26/860505426.db2.gz KFRPTPJRQOCOQG-OAQYLSRUSA-N 2 2 396.604 3.838 20 0 GHADLP CSc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000116287732 860505435 /nfs/dbraw/zinc/50/54/35/860505435.db2.gz KFRPTPJRQOCOQG-OAQYLSRUSA-N 2 2 396.604 3.838 20 0 GHADLP Cc1cccc(N2CC[NH+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001168040219 860585811 /nfs/dbraw/zinc/58/58/11/860585811.db2.gz LHIIHBDYOFDRRY-NHCUHLMSSA-N 2 2 378.564 3.954 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1Cl ZINC000428990486 860620599 /nfs/dbraw/zinc/62/05/99/860620599.db2.gz ICHSECWVPBIEEV-NJSLBKSFSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1Cl ZINC000428990486 860620603 /nfs/dbraw/zinc/62/06/03/860620603.db2.gz ICHSECWVPBIEEV-NJSLBKSFSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccc(Cl)cc1Cl ZINC000428990486 860620606 /nfs/dbraw/zinc/62/06/06/860620606.db2.gz ICHSECWVPBIEEV-NJSLBKSFSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccc(Cl)cc1Cl ZINC000428990486 860620608 /nfs/dbraw/zinc/62/06/08/860620608.db2.gz ICHSECWVPBIEEV-NJSLBKSFSA-N 2 2 384.351 3.587 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccn(C4CCCC4)n3)C2)ccn1 ZINC000856601063 881574896 /nfs/dbraw/zinc/57/48/96/881574896.db2.gz ZUQQLWRYBUSHCZ-QHCPKHFHSA-N 2 2 397.567 3.887 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccn(C4CCCC4)n3)C2)ccn1 ZINC000856601063 881574906 /nfs/dbraw/zinc/57/49/06/881574906.db2.gz ZUQQLWRYBUSHCZ-QHCPKHFHSA-N 2 2 397.567 3.887 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccn(C4CCCC4)n3)C2)ccn1 ZINC000856601063 881574914 /nfs/dbraw/zinc/57/49/14/881574914.db2.gz ZUQQLWRYBUSHCZ-QHCPKHFHSA-N 2 2 397.567 3.887 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccn(C4CCCC4)n3)C2)ccn1 ZINC000856601063 881574921 /nfs/dbraw/zinc/57/49/21/881574921.db2.gz ZUQQLWRYBUSHCZ-QHCPKHFHSA-N 2 2 397.567 3.887 20 0 GHADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429045424 860802088 /nfs/dbraw/zinc/80/20/88/860802088.db2.gz VWPVZYBQQAIOLN-XUZZJYLKSA-N 2 2 383.580 3.675 20 0 GHADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429045424 860802094 /nfs/dbraw/zinc/80/20/94/860802094.db2.gz VWPVZYBQQAIOLN-XUZZJYLKSA-N 2 2 383.580 3.675 20 0 GHADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429045424 860802099 /nfs/dbraw/zinc/80/20/99/860802099.db2.gz VWPVZYBQQAIOLN-XUZZJYLKSA-N 2 2 383.580 3.675 20 0 GHADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429045424 860802106 /nfs/dbraw/zinc/80/21/06/860802106.db2.gz VWPVZYBQQAIOLN-XUZZJYLKSA-N 2 2 383.580 3.675 20 0 GHADLP COc1ccc(C2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCOCC2)cc1F ZINC000444015908 863154534 /nfs/dbraw/zinc/15/45/34/863154534.db2.gz WZEGSWYCRKGKJK-UHFFFAOYSA-N 2 2 387.480 3.877 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000444022956 863185571 /nfs/dbraw/zinc/18/55/71/863185571.db2.gz OZLGWSLWZDDSLU-RTBURBONSA-N 2 2 380.621 3.649 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000444022956 863185581 /nfs/dbraw/zinc/18/55/81/863185581.db2.gz OZLGWSLWZDDSLU-RTBURBONSA-N 2 2 380.621 3.649 20 0 GHADLP Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000606435021 863612150 /nfs/dbraw/zinc/61/21/50/863612150.db2.gz YZWAWFDWPMEKPG-PMACEKPBSA-N 2 2 397.588 3.579 20 0 GHADLP Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000606435021 863612158 /nfs/dbraw/zinc/61/21/58/863612158.db2.gz YZWAWFDWPMEKPG-PMACEKPBSA-N 2 2 397.588 3.579 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccnn2CCc2ccccc2)CC1 ZINC000621342959 864096596 /nfs/dbraw/zinc/09/65/96/864096596.db2.gz PXDBZCZZODPBNP-FQEVSTJZSA-N 2 2 389.547 3.836 20 0 GHADLP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000621641161 864345660 /nfs/dbraw/zinc/34/56/60/864345660.db2.gz BMEHGPHLHNURDX-CRAIPNDOSA-N 2 2 381.923 3.512 20 0 GHADLP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000607366292 864349436 /nfs/dbraw/zinc/34/94/36/864349436.db2.gz GOPXWLDCQLNYHE-FQEVSTJZSA-N 2 2 395.330 3.729 20 0 GHADLP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366292 864349452 /nfs/dbraw/zinc/34/94/52/864349452.db2.gz GOPXWLDCQLNYHE-FQEVSTJZSA-N 2 2 395.330 3.729 20 0 GHADLP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c2ccccc21 ZINC000621755908 864404441 /nfs/dbraw/zinc/40/44/41/864404441.db2.gz DKFILEDNOWWNII-HTAPYJJXSA-N 2 2 378.520 3.695 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000165542032 864681842 /nfs/dbraw/zinc/68/18/42/864681842.db2.gz FVPBIOCZFRZWMF-MSOLQXFVSA-N 2 2 378.586 3.857 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000165542032 864681847 /nfs/dbraw/zinc/68/18/47/864681847.db2.gz FVPBIOCZFRZWMF-MSOLQXFVSA-N 2 2 378.586 3.857 20 0 GHADLP C[C@H](c1nnc(SCC[NH+]2CCCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000120919970 881801337 /nfs/dbraw/zinc/80/13/37/881801337.db2.gz DTJRSFYJFDVXPY-OAHLLOKOSA-N 2 2 377.533 3.607 20 0 GHADLP C[NH+](C)CCOc1cccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000667684837 864796047 /nfs/dbraw/zinc/79/60/47/864796047.db2.gz HZDJPDFLKZSWDU-FQEVSTJZSA-N 2 2 378.476 3.511 20 0 GHADLP COc1cc(F)c([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1OC ZINC000480534237 864808955 /nfs/dbraw/zinc/80/89/55/864808955.db2.gz CQDQMDGBSUVMDL-INIZCTEOSA-N 2 2 383.467 3.981 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2OC2CCCC2)[C@@H](C)C1 ZINC000480756206 865234697 /nfs/dbraw/zinc/23/46/97/865234697.db2.gz OLDMBSGMBAIMGA-RXVVDRJESA-N 2 2 375.557 3.630 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2OC2CCCC2)[C@@H](C)C1 ZINC000480756206 865234710 /nfs/dbraw/zinc/23/47/10/865234710.db2.gz OLDMBSGMBAIMGA-RXVVDRJESA-N 2 2 375.557 3.630 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000480771401 865269946 /nfs/dbraw/zinc/26/99/46/865269946.db2.gz RBAQELOPDWDOGB-ZWKOTPCHSA-N 2 2 375.476 3.849 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000192016464 865416238 /nfs/dbraw/zinc/41/62/38/865416238.db2.gz QNLYTEZTVHRRHM-UHFFFAOYSA-N 2 2 380.536 3.842 20 0 GHADLP COc1ccc(-n2ccn(C[NH+]3CCC(C[NH+]4CCCC4)CC3)c2=S)cc1 ZINC000738071068 865479618 /nfs/dbraw/zinc/47/96/18/865479618.db2.gz HQNDXUZMNCZXMI-UHFFFAOYSA-N 2 2 386.565 3.782 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000172081713 865483264 /nfs/dbraw/zinc/48/32/64/865483264.db2.gz JOMWXDBLBDVXFE-XXBNENTESA-N 2 2 379.548 3.980 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000172081713 865483267 /nfs/dbraw/zinc/48/32/67/865483267.db2.gz JOMWXDBLBDVXFE-XXBNENTESA-N 2 2 379.548 3.980 20 0 GHADLP CC[N@H+](CCOCC(F)(F)C(F)(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000189482142 881880197 /nfs/dbraw/zinc/88/01/97/881880197.db2.gz SHERCAOBOYGXHC-UHFFFAOYSA-N 2 2 395.416 3.834 20 0 GHADLP CC[N@@H+](CCOCC(F)(F)C(F)(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000189482142 881880219 /nfs/dbraw/zinc/88/02/19/881880219.db2.gz SHERCAOBOYGXHC-UHFFFAOYSA-N 2 2 395.416 3.834 20 0 GHADLP C[C@@H]1CCC[C@](CNC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)([NH+](C)C)C1 ZINC000608648313 865533170 /nfs/dbraw/zinc/53/31/70/865533170.db2.gz RRCFGEOJDZAZIY-RFWXGWTQSA-N 2 2 397.567 3.514 20 0 GHADLP O[C@H](C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1Cl)C[NH+]1CCCC1 ZINC000481035234 865724908 /nfs/dbraw/zinc/72/49/08/865724908.db2.gz JEWABBCDGFDVOI-NQIIRXRSSA-N 2 2 376.903 3.809 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1Cl ZINC000173857273 865849468 /nfs/dbraw/zinc/84/94/68/865849468.db2.gz GATCABJLNKWJJB-CQSZACIVSA-N 2 2 379.335 3.991 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)NC(=O)CO3)CC[N@@H+]1Cc1ccccc1 ZINC000508483509 865899389 /nfs/dbraw/zinc/89/93/89/865899389.db2.gz KRFMBKJBSDKYNR-YLJYHZDGSA-N 2 2 379.504 3.502 20 0 GHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)NC(=O)CO3)CC[N@H+]1Cc1ccccc1 ZINC000508483509 865899408 /nfs/dbraw/zinc/89/94/08/865899408.db2.gz KRFMBKJBSDKYNR-YLJYHZDGSA-N 2 2 379.504 3.502 20 0 GHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)NC(=O)CO3)CC[NH+]1Cc1ccccc1 ZINC000508483509 865899419 /nfs/dbraw/zinc/89/94/19/865899419.db2.gz KRFMBKJBSDKYNR-YLJYHZDGSA-N 2 2 379.504 3.502 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)NC(=O)CO3)CC[NH+]1Cc1ccccc1 ZINC000508483509 865899435 /nfs/dbraw/zinc/89/94/35/865899435.db2.gz KRFMBKJBSDKYNR-YLJYHZDGSA-N 2 2 379.504 3.502 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(OC)cc1 ZINC000481180193 865937384 /nfs/dbraw/zinc/93/73/84/865937384.db2.gz JVFMJQAZLUDRNH-OFAXGOBFSA-N 2 2 395.547 3.913 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(OC)cc1 ZINC000481180193 865937395 /nfs/dbraw/zinc/93/73/95/865937395.db2.gz JVFMJQAZLUDRNH-OFAXGOBFSA-N 2 2 395.547 3.913 20 0 GHADLP CCN(C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000481186383 865952114 /nfs/dbraw/zinc/95/21/14/865952114.db2.gz FRUUYKPBNVNAOT-QTEQDKRBSA-N 2 2 379.548 3.928 20 0 GHADLP CCN(C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000481186383 865952122 /nfs/dbraw/zinc/95/21/22/865952122.db2.gz FRUUYKPBNVNAOT-QTEQDKRBSA-N 2 2 379.548 3.928 20 0 GHADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000151898698 866008817 /nfs/dbraw/zinc/00/88/17/866008817.db2.gz UKVRARJAEUCKCK-OALUTQOASA-N 2 2 399.539 3.612 20 0 GHADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)CC2)C1 ZINC000671305691 866107460 /nfs/dbraw/zinc/10/74/60/866107460.db2.gz MHKCTEMTBKKKQT-GOSISDBHSA-N 2 2 390.984 3.675 20 0 GHADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)CC2)C1 ZINC000671305691 866107464 /nfs/dbraw/zinc/10/74/64/866107464.db2.gz MHKCTEMTBKKKQT-GOSISDBHSA-N 2 2 390.984 3.675 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000552902410 866465039 /nfs/dbraw/zinc/46/50/39/866465039.db2.gz BANQWTNLSOEXJC-OFNKIYASSA-N 2 2 379.548 3.678 20 0 GHADLP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000552902410 866465051 /nfs/dbraw/zinc/46/50/51/866465051.db2.gz BANQWTNLSOEXJC-OFNKIYASSA-N 2 2 379.548 3.678 20 0 GHADLP CSc1cc(Cl)ccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000667378630 866503015 /nfs/dbraw/zinc/50/30/15/866503015.db2.gz BLUUIXZPFXYOTE-UHFFFAOYSA-N 2 2 396.988 3.742 20 0 GHADLP O=C(CCCn1cc[nH+]c1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000620500367 866800191 /nfs/dbraw/zinc/80/01/91/866800191.db2.gz OOJFZFATLYMXLL-HXUWFJFHSA-N 2 2 394.544 3.641 20 0 GHADLP O=C(CCCn1cc[nH+]c1)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000620500367 866800213 /nfs/dbraw/zinc/80/02/13/866800213.db2.gz OOJFZFATLYMXLL-HXUWFJFHSA-N 2 2 394.544 3.641 20 0 GHADLP CN(C(=O)[C@H]1CCCC(C)(C)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534464897 866833224 /nfs/dbraw/zinc/83/32/24/866833224.db2.gz KTCNDDRXUUQUST-CEWLAPEOSA-N 2 2 377.617 3.998 20 0 GHADLP CN(C(=O)[C@H]1CCCC(C)(C)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534464897 866833238 /nfs/dbraw/zinc/83/32/38/866833238.db2.gz KTCNDDRXUUQUST-CEWLAPEOSA-N 2 2 377.617 3.998 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(cc(Cl)cc2Cl)[nH]1 ZINC000479089368 867116602 /nfs/dbraw/zinc/11/66/02/867116602.db2.gz JBAVONHJZCBGSF-UHFFFAOYSA-N 2 2 397.350 3.573 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(cc(Cl)cc2Cl)[nH]1 ZINC000479089368 867116608 /nfs/dbraw/zinc/11/66/08/867116608.db2.gz JBAVONHJZCBGSF-UHFFFAOYSA-N 2 2 397.350 3.573 20 0 GHADLP Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000444736798 867121926 /nfs/dbraw/zinc/12/19/26/867121926.db2.gz QVMRBZNXCXIEJM-IBGZPJMESA-N 2 2 397.538 3.735 20 0 GHADLP Cc1ccc(F)c(C[N@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000444736798 867121934 /nfs/dbraw/zinc/12/19/34/867121934.db2.gz QVMRBZNXCXIEJM-IBGZPJMESA-N 2 2 397.538 3.735 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3ccc(OC)cc3s2)[C@H](C)C1 ZINC000189997127 882064964 /nfs/dbraw/zinc/06/49/64/882064964.db2.gz QBLLVPCVBCUUPG-NVXWUHKLSA-N 2 2 377.554 3.532 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc3ccc(OC)cc3s2)[C@H](C)C1 ZINC000189997127 882064983 /nfs/dbraw/zinc/06/49/83/882064983.db2.gz QBLLVPCVBCUUPG-NVXWUHKLSA-N 2 2 377.554 3.532 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000742377466 867270185 /nfs/dbraw/zinc/27/01/85/867270185.db2.gz DATSPWCLBSPSII-UHFFFAOYSA-N 2 2 375.520 3.697 20 0 GHADLP CSc1ccc(Cl)c(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000667469322 867550491 /nfs/dbraw/zinc/55/04/91/867550491.db2.gz TWKQQMHEBDDDIH-UHFFFAOYSA-N 2 2 384.977 3.552 20 0 GHADLP CSc1ccc(Cl)c(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000667469322 867550497 /nfs/dbraw/zinc/55/04/97/867550497.db2.gz TWKQQMHEBDDDIH-UHFFFAOYSA-N 2 2 384.977 3.552 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@H](C(C)(C)C)c4ccccc43)CC2)CC1 ZINC000445007768 867637654 /nfs/dbraw/zinc/63/76/54/867637654.db2.gz ANYOEFZNLRYXBC-NRFANRHFSA-N 2 2 398.595 3.905 20 0 GHADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000523657184 867727944 /nfs/dbraw/zinc/72/79/44/867727944.db2.gz VQXGUZXIJAWCRS-QFIPXVFZSA-N 2 2 378.564 3.733 20 0 GHADLP Cc1cc(C)cc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000523657184 867727953 /nfs/dbraw/zinc/72/79/53/867727953.db2.gz VQXGUZXIJAWCRS-QFIPXVFZSA-N 2 2 378.564 3.733 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(F)ccc1F ZINC000155154207 867774954 /nfs/dbraw/zinc/77/49/54/867774954.db2.gz SUCAEZSFTXRDFM-INIZCTEOSA-N 2 2 376.447 3.527 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(F)c(F)c(F)c1 ZINC000155166779 867780113 /nfs/dbraw/zinc/78/01/13/867780113.db2.gz QVVJNQHLDUAMHR-OAHLLOKOSA-N 2 2 394.437 3.666 20 0 GHADLP CC[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(F)cc1F ZINC000155171283 867783770 /nfs/dbraw/zinc/78/37/70/867783770.db2.gz VNNUKSBGCXXWTQ-QFIPXVFZSA-N 2 2 390.474 3.917 20 0 GHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155180808 867789055 /nfs/dbraw/zinc/78/90/55/867789055.db2.gz ZIBWLFBDZBVAGD-DEOSSOPVSA-N 2 2 396.531 3.573 20 0 GHADLP C[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000155944176 868193563 /nfs/dbraw/zinc/19/35/63/868193563.db2.gz OKELUYPXYOGQIR-SJORKVTESA-N 2 2 377.960 3.655 20 0 GHADLP C[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000155944176 868193570 /nfs/dbraw/zinc/19/35/70/868193570.db2.gz OKELUYPXYOGQIR-SJORKVTESA-N 2 2 377.960 3.655 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000156517292 868387610 /nfs/dbraw/zinc/38/76/10/868387610.db2.gz WWFGISUNDMQPKI-DEYYWGMASA-N 2 2 395.334 3.950 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000156517292 868387616 /nfs/dbraw/zinc/38/76/16/868387616.db2.gz WWFGISUNDMQPKI-DEYYWGMASA-N 2 2 395.334 3.950 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1)c1ccccc1 ZINC000508532633 868559482 /nfs/dbraw/zinc/55/94/82/868559482.db2.gz FKDZBNLCGDSHMO-XXBNENTESA-N 2 2 395.547 3.593 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1)c1ccccc1 ZINC000508532633 868559489 /nfs/dbraw/zinc/55/94/89/868559489.db2.gz FKDZBNLCGDSHMO-XXBNENTESA-N 2 2 395.547 3.593 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3nccn3-c3ccccc3)cc2)C[C@H](C)O1 ZINC000190730504 882256177 /nfs/dbraw/zinc/25/61/77/882256177.db2.gz BLKXAUNUAZDVAK-BGYRXZFFSA-N 2 2 390.531 3.771 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3nccn3-c3ccccc3)cc2)C[C@H](C)O1 ZINC000190730504 882256188 /nfs/dbraw/zinc/25/61/88/882256188.db2.gz BLKXAUNUAZDVAK-BGYRXZFFSA-N 2 2 390.531 3.771 20 0 GHADLP c1nc2c(s1)C[NH+](Cc1cccc(C[N@@H+]3CCc4ncsc4C3)c1)CC2 ZINC000445859492 869062606 /nfs/dbraw/zinc/06/26/06/869062606.db2.gz NZKARMHIIDGCGH-UHFFFAOYSA-N 2 2 382.558 3.716 20 0 GHADLP c1nc2c(s1)C[NH+](Cc1cccc(C[N@H+]3CCc4ncsc4C3)c1)CC2 ZINC000445859492 869062613 /nfs/dbraw/zinc/06/26/13/869062613.db2.gz NZKARMHIIDGCGH-UHFFFAOYSA-N 2 2 382.558 3.716 20 0 GHADLP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000793599110 882303396 /nfs/dbraw/zinc/30/33/96/882303396.db2.gz FLLDKDQKYPUDFT-QGZVFWFLSA-N 2 2 390.572 3.614 20 0 GHADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000525245659 870212464 /nfs/dbraw/zinc/21/24/64/870212464.db2.gz ASDYVUYCWOFJIM-NSHDSACASA-N 2 2 377.838 3.760 20 0 GHADLP CCOc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1OCC ZINC000248026583 870263633 /nfs/dbraw/zinc/26/36/33/870263633.db2.gz PFLCBEWPDBFMIC-DENIHFKCSA-N 2 2 397.563 3.922 20 0 GHADLP CCOc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1OCC ZINC000248026583 870263649 /nfs/dbraw/zinc/26/36/49/870263649.db2.gz PFLCBEWPDBFMIC-DENIHFKCSA-N 2 2 397.563 3.922 20 0 GHADLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1Cl ZINC000446753963 870300205 /nfs/dbraw/zinc/30/02/05/870300205.db2.gz VHCHNSBDOMZYJZ-CZUORRHYSA-N 2 2 375.738 3.600 20 0 GHADLP Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)CC2)[nH+]c1 ZINC000248406034 870379243 /nfs/dbraw/zinc/37/92/43/870379243.db2.gz BOAPDGVLFDVEQB-GMKZXUHWSA-N 3 2 390.575 3.859 20 0 GHADLP Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)CC2)[nH+]c1 ZINC000248406034 870379338 /nfs/dbraw/zinc/37/93/38/870379338.db2.gz BOAPDGVLFDVEQB-GMKZXUHWSA-N 3 2 390.575 3.859 20 0 GHADLP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2cccc(C(C)=O)c2)CC1)CC(C)C ZINC000540198632 870707219 /nfs/dbraw/zinc/70/72/19/870707219.db2.gz KHTAKJKIFRBKPM-UHFFFAOYSA-N 2 2 387.568 3.908 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2cccc(C(C)=O)c2)CC1)CC(C)C ZINC000540198632 870707228 /nfs/dbraw/zinc/70/72/28/870707228.db2.gz KHTAKJKIFRBKPM-UHFFFAOYSA-N 2 2 387.568 3.908 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1C ZINC000508867588 870769162 /nfs/dbraw/zinc/76/91/62/870769162.db2.gz UENBOBNUBRPAAZ-FXAWDEMLSA-N 2 2 384.524 3.540 20 0 GHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(F)cc3Cl)CC2)C[C@@H](C)O1 ZINC000540244804 870844888 /nfs/dbraw/zinc/84/48/88/870844888.db2.gz HMGHYYBKRGQGJD-HZPDHXFCSA-N 2 2 384.923 3.569 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2F)[C@@H](C)C1 ZINC000249494823 870845689 /nfs/dbraw/zinc/84/56/89/870845689.db2.gz VXEBWQFIGGLEQQ-MPGHIAIKSA-N 2 2 399.938 3.533 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2F)[C@@H](C)C1 ZINC000249494823 870845703 /nfs/dbraw/zinc/84/57/03/870845703.db2.gz VXEBWQFIGGLEQQ-MPGHIAIKSA-N 2 2 399.938 3.533 20 0 GHADLP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000540302671 870948490 /nfs/dbraw/zinc/94/84/90/870948490.db2.gz QWAXDFAWRAOGQO-RBUKOAKNSA-N 2 2 399.501 3.935 20 0 GHADLP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000540302671 870948500 /nfs/dbraw/zinc/94/85/00/870948500.db2.gz QWAXDFAWRAOGQO-RBUKOAKNSA-N 2 2 399.501 3.935 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C2CCN(c3nccs3)CC2)c(C)c1 ZINC000463206149 871135836 /nfs/dbraw/zinc/13/58/36/871135836.db2.gz OXVBTMOFIFSMAS-FQEVSTJZSA-N 2 2 381.549 3.956 20 0 GHADLP CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001193517606 871156520 /nfs/dbraw/zinc/15/65/20/871156520.db2.gz WSMQVWJIKXZFPV-DEOSSOPVSA-N 2 2 382.548 3.682 20 0 GHADLP CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001193517606 871156526 /nfs/dbraw/zinc/15/65/26/871156526.db2.gz WSMQVWJIKXZFPV-DEOSSOPVSA-N 2 2 382.548 3.682 20 0 GHADLP C[C@H]([NH2+]Cc1cc2c(cc1Br)OCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001169126061 871214603 /nfs/dbraw/zinc/21/46/03/871214603.db2.gz XIEVJJDUUDYMPW-UONOGXRCSA-N 2 2 395.341 3.920 20 0 GHADLP C[C@H]([NH2+]Cc1cc2c(cc1Br)OCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001169126061 871214614 /nfs/dbraw/zinc/21/46/14/871214614.db2.gz XIEVJJDUUDYMPW-UONOGXRCSA-N 2 2 395.341 3.920 20 0 GHADLP CC[NH+]1CCC([NH+]2CCC(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001169268247 871380018 /nfs/dbraw/zinc/38/00/18/871380018.db2.gz KSDBMGLMAUOXBX-UHFFFAOYSA-N 2 2 384.442 3.964 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)CCOc1ccccc1C(C)(C)C ZINC001193907456 871389653 /nfs/dbraw/zinc/38/96/53/871389653.db2.gz PXSFZTCWEZQJAF-NRFANRHFSA-N 2 2 384.564 3.788 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)CCOc1ccccc1C(C)(C)C ZINC001193907456 871389672 /nfs/dbraw/zinc/38/96/72/871389672.db2.gz PXSFZTCWEZQJAF-NRFANRHFSA-N 2 2 384.564 3.788 20 0 GHADLP C[NH+](CCOc1ccccc1C(C)(C)C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001193907456 871389692 /nfs/dbraw/zinc/38/96/92/871389692.db2.gz PXSFZTCWEZQJAF-NRFANRHFSA-N 2 2 384.564 3.788 20 0 GHADLP C[NH+](CCOc1ccccc1C(C)(C)C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001193907456 871389711 /nfs/dbraw/zinc/38/97/11/871389711.db2.gz PXSFZTCWEZQJAF-NRFANRHFSA-N 2 2 384.564 3.788 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000539164135 871426900 /nfs/dbraw/zinc/42/69/00/871426900.db2.gz MPPOAQAJAJQKLA-MRXNPFEDSA-N 2 2 398.938 3.910 20 0 GHADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(CSC(F)F)o3)cc2)CC1 ZINC000069785348 871510632 /nfs/dbraw/zinc/51/06/32/871510632.db2.gz BOXFNNLDPOSTTC-UHFFFAOYSA-N 2 2 395.519 3.773 20 0 GHADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(CSC(F)F)o3)cc2)CC1 ZINC000069785348 871510636 /nfs/dbraw/zinc/51/06/36/871510636.db2.gz BOXFNNLDPOSTTC-UHFFFAOYSA-N 2 2 395.519 3.773 20 0 GHADLP Cc1c2[nH+]c[nH]c2ccc1N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169522498 871598984 /nfs/dbraw/zinc/59/89/84/871598984.db2.gz VKZIATLNDIQRRU-PXNSSMCTSA-N 2 2 378.476 3.742 20 0 GHADLP C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000447608160 871980151 /nfs/dbraw/zinc/98/01/51/871980151.db2.gz UQXLMEVYAGNQKE-ZBFHGGJFSA-N 2 2 389.421 3.791 20 0 GHADLP Cn1c[nH+]cc1-c1cccc(C(=O)N2CCC3(CCC[N@@H+]3CC3CC3)CC2)c1 ZINC001194885548 872009325 /nfs/dbraw/zinc/00/93/25/872009325.db2.gz FKIGCDYOKRPDJC-UHFFFAOYSA-N 2 2 378.520 3.568 20 0 GHADLP Cn1c[nH+]cc1-c1cccc(C(=O)N2CCC3(CCC[N@H+]3CC3CC3)CC2)c1 ZINC001194885548 872009337 /nfs/dbraw/zinc/00/93/37/872009337.db2.gz FKIGCDYOKRPDJC-UHFFFAOYSA-N 2 2 378.520 3.568 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1OC(F)F ZINC000540757023 872071443 /nfs/dbraw/zinc/07/14/43/872071443.db2.gz VQLBPVDQOAQTMX-GDBMZVCRSA-N 2 2 376.451 3.996 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000477918556 872180522 /nfs/dbraw/zinc/18/05/22/872180522.db2.gz VIVZTYUSXSFAIK-RTWAWAEBSA-N 2 2 392.609 3.792 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)c1ccccc1Cl ZINC000540848009 872307888 /nfs/dbraw/zinc/30/78/88/872307888.db2.gz NBQGIKFZUIBJPS-FQEVSTJZSA-N 2 2 388.943 3.615 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644705 872313608 /nfs/dbraw/zinc/31/36/08/872313608.db2.gz XMXPYTSSPQGYKB-CRAIPNDOSA-N 2 2 399.373 3.779 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644705 872313627 /nfs/dbraw/zinc/31/36/27/872313627.db2.gz XMXPYTSSPQGYKB-CRAIPNDOSA-N 2 2 399.373 3.779 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644705 872313647 /nfs/dbraw/zinc/31/36/47/872313647.db2.gz XMXPYTSSPQGYKB-CRAIPNDOSA-N 2 2 399.373 3.779 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644705 872313658 /nfs/dbraw/zinc/31/36/58/872313658.db2.gz XMXPYTSSPQGYKB-CRAIPNDOSA-N 2 2 399.373 3.779 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1OCc1ccncc1 ZINC000093683442 872339120 /nfs/dbraw/zinc/33/91/20/872339120.db2.gz LUJONMCBFBOZDL-JOCHJYFZSA-N 2 2 395.547 3.977 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1OCc1ccncc1 ZINC000093683442 872339138 /nfs/dbraw/zinc/33/91/38/872339138.db2.gz LUJONMCBFBOZDL-JOCHJYFZSA-N 2 2 395.547 3.977 20 0 GHADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000478034163 872344388 /nfs/dbraw/zinc/34/43/88/872344388.db2.gz PNHQSTIKSYXKPV-AQNXPRMDSA-N 2 2 385.596 3.795 20 0 GHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000478034163 872344404 /nfs/dbraw/zinc/34/44/04/872344404.db2.gz PNHQSTIKSYXKPV-AQNXPRMDSA-N 2 2 385.596 3.795 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000478034163 872344419 /nfs/dbraw/zinc/34/44/19/872344419.db2.gz PNHQSTIKSYXKPV-AQNXPRMDSA-N 2 2 385.596 3.795 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000478034163 872344436 /nfs/dbraw/zinc/34/44/36/872344436.db2.gz PNHQSTIKSYXKPV-AQNXPRMDSA-N 2 2 385.596 3.795 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+]2CCCC2)cc1 ZINC000527241420 872859535 /nfs/dbraw/zinc/85/95/35/872859535.db2.gz LKWKJHCVLCYKLQ-SIKLNZKXSA-N 2 2 394.563 3.900 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[NH+]2CCCC2)cc1 ZINC000527241420 872859542 /nfs/dbraw/zinc/85/95/42/872859542.db2.gz LKWKJHCVLCYKLQ-SIKLNZKXSA-N 2 2 394.563 3.900 20 0 GHADLP CC[C@@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[N@@H+]1CCc2ccccc2C1 ZINC000527230248 872885092 /nfs/dbraw/zinc/88/50/92/872885092.db2.gz JDPXANWBNATCKC-ICSRJNTNSA-N 2 2 394.563 3.591 20 0 GHADLP CC[C@@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[N@H+]1CCc2ccccc2C1 ZINC000527230248 872885104 /nfs/dbraw/zinc/88/51/04/872885104.db2.gz JDPXANWBNATCKC-ICSRJNTNSA-N 2 2 394.563 3.591 20 0 GHADLP CC[C@@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[N@@H+]1CCc2ccccc2C1 ZINC000527230248 872885118 /nfs/dbraw/zinc/88/51/18/872885118.db2.gz JDPXANWBNATCKC-ICSRJNTNSA-N 2 2 394.563 3.591 20 0 GHADLP CC[C@@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[N@H+]1CCc2ccccc2C1 ZINC000527230248 872885132 /nfs/dbraw/zinc/88/51/32/872885132.db2.gz JDPXANWBNATCKC-ICSRJNTNSA-N 2 2 394.563 3.591 20 0 GHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000527298953 872975546 /nfs/dbraw/zinc/97/55/46/872975546.db2.gz NHGZUYXBICXYAN-HOTGVXAUSA-N 2 2 384.923 3.569 20 0 GHADLP C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000768104352 873082474 /nfs/dbraw/zinc/08/24/74/873082474.db2.gz CFWDFBQFXLRNQQ-IKESIWSLSA-N 2 2 396.362 3.681 20 0 GHADLP C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000768104352 873082491 /nfs/dbraw/zinc/08/24/91/873082491.db2.gz CFWDFBQFXLRNQQ-IKESIWSLSA-N 2 2 396.362 3.681 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000768216473 873169528 /nfs/dbraw/zinc/16/95/28/873169528.db2.gz HQOLEOCXSCVFBC-KRWDZBQOSA-N 2 2 397.604 3.501 20 0 GHADLP CC(C)C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000460482602 882701712 /nfs/dbraw/zinc/70/17/12/882701712.db2.gz GUMLFKARJBMOPH-QFIPXVFZSA-N 2 2 385.596 3.883 20 0 GHADLP C[NH+]1CCC(CNC(=O)NCCC2=CCCCCC2)([NH+]2CCCCC2)CC1 ZINC000464125946 873270527 /nfs/dbraw/zinc/27/05/27/873270527.db2.gz MEYJIZQCHBNABH-UHFFFAOYSA-N 2 2 376.589 3.517 20 0 GHADLP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc(C(F)(F)F)c1 ZINC000527641169 873391040 /nfs/dbraw/zinc/39/10/40/873391040.db2.gz LKLLMNNAJDJWRK-UHFFFAOYSA-N 2 2 376.382 3.893 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C[C@H]3CCC[N@H+](C)[C@H]3c3cccs3)cs2)cn1 ZINC000527669827 873431889 /nfs/dbraw/zinc/43/18/89/873431889.db2.gz ZFZBZEVTCLBNPW-RDTXWAMCSA-N 2 2 387.578 3.778 20 0 GHADLP Cn1cc(-c2nc(C[NH2+]C[C@H]3CCC[N@@H+](C)[C@H]3c3cccs3)cs2)cn1 ZINC000527669827 873431893 /nfs/dbraw/zinc/43/18/93/873431893.db2.gz ZFZBZEVTCLBNPW-RDTXWAMCSA-N 2 2 387.578 3.778 20 0 GHADLP Cc1cccc([C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C(C)C)c1 ZINC000527724714 873499492 /nfs/dbraw/zinc/49/94/92/873499492.db2.gz JLRNIDJHIAGONB-QFIPXVFZSA-N 2 2 386.584 3.550 20 0 GHADLP C[NH+]1CCC(CNC(=O)Cc2csc3ccccc23)([NH+]2CCCCC2)CC1 ZINC000460483465 882738830 /nfs/dbraw/zinc/73/88/30/882738830.db2.gz QCPHNRLPPMPUHO-UHFFFAOYSA-N 2 2 385.577 3.510 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(-c3ccccc3)n(C)n2)[C@@H](C)C1 ZINC000527861378 873686007 /nfs/dbraw/zinc/68/60/07/873686007.db2.gz CUICPWKDQBIWLV-ZVDOUQERSA-N 2 2 384.568 3.875 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(-c3ccccc3)n(C)n2)[C@@H](C)C1 ZINC000527861378 873686011 /nfs/dbraw/zinc/68/60/11/873686011.db2.gz CUICPWKDQBIWLV-ZVDOUQERSA-N 2 2 384.568 3.875 20 0 GHADLP Cc1cccc(Oc2ccccc2NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC001197360993 873737115 /nfs/dbraw/zinc/73/71/15/873737115.db2.gz YVCNNXYSLBXTBB-UHFFFAOYSA-N 2 2 384.524 3.792 20 0 GHADLP Cc1cccc(Oc2ccccc2NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC001197360993 873737122 /nfs/dbraw/zinc/73/71/22/873737122.db2.gz YVCNNXYSLBXTBB-UHFFFAOYSA-N 2 2 384.524 3.792 20 0 GHADLP Cc1ccc2c(c1)nc(C[NH2+]C1CCN(c3ccc([NH+](C)C)cc3)CC1)n2C ZINC000769554252 874154519 /nfs/dbraw/zinc/15/45/19/874154519.db2.gz ABJBVNMVXLOXKY-UHFFFAOYSA-N 2 2 377.536 3.706 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NCC(C)(C)c2ccccc2)cc1 ZINC001198030102 874188660 /nfs/dbraw/zinc/18/86/60/874188660.db2.gz HKCDEERSRJZFHO-UHFFFAOYSA-N 2 2 381.564 3.778 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NCC(C)(C)c2ccccc2)cc1 ZINC001198030102 874188666 /nfs/dbraw/zinc/18/86/66/874188666.db2.gz HKCDEERSRJZFHO-UHFFFAOYSA-N 2 2 381.564 3.778 20 0 GHADLP CSCC1CC[NH+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001198336256 874359701 /nfs/dbraw/zinc/35/97/01/874359701.db2.gz DTQYONAFWYYIAC-UHFFFAOYSA-N 2 2 382.017 3.927 20 0 GHADLP CCn1nnc(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000449159299 874538859 /nfs/dbraw/zinc/53/88/59/874538859.db2.gz ZBRZBQHALGRJEK-VQIMIIECSA-N 2 2 395.473 3.798 20 0 GHADLP CCn1nnc(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000449159299 874538867 /nfs/dbraw/zinc/53/88/67/874538867.db2.gz ZBRZBQHALGRJEK-VQIMIIECSA-N 2 2 395.473 3.798 20 0 GHADLP OCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1Br ZINC000541917062 874562067 /nfs/dbraw/zinc/56/20/67/874562067.db2.gz ZNVGHRDRLVBOPI-GOSISDBHSA-N 2 2 390.325 3.526 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000449194222 874567895 /nfs/dbraw/zinc/56/78/95/874567895.db2.gz UGWFUKGZWOZSAL-RTWAWAEBSA-N 3 2 379.633 3.633 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843463 874618926 /nfs/dbraw/zinc/61/89/26/874618926.db2.gz VCVAMDRXZGEOLK-GMAHTHKFSA-N 2 2 393.575 3.796 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843463 874618934 /nfs/dbraw/zinc/61/89/34/874618934.db2.gz VCVAMDRXZGEOLK-GMAHTHKFSA-N 2 2 393.575 3.796 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843463 874618944 /nfs/dbraw/zinc/61/89/44/874618944.db2.gz VCVAMDRXZGEOLK-GMAHTHKFSA-N 2 2 393.575 3.796 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843463 874618953 /nfs/dbraw/zinc/61/89/53/874618953.db2.gz VCVAMDRXZGEOLK-GMAHTHKFSA-N 2 2 393.575 3.796 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000449238176 874643037 /nfs/dbraw/zinc/64/30/37/874643037.db2.gz FKWMZOYNLRUZDH-FQEVSTJZSA-N 2 2 386.584 3.846 20 0 GHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)CC1 ZINC000449357819 874779725 /nfs/dbraw/zinc/77/97/25/874779725.db2.gz LYCKEYSUZBNJNY-QGZVFWFLSA-N 2 2 392.609 3.826 20 0 GHADLP C[NH+]1CCC(CNC(=O)Cc2cc(Cl)cc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000528675133 874869006 /nfs/dbraw/zinc/86/90/06/874869006.db2.gz CFTJOROPVNRAOL-UHFFFAOYSA-N 2 2 398.378 3.602 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000449494078 874951008 /nfs/dbraw/zinc/95/10/08/874951008.db2.gz GBWNOXUOYSDZRD-MJGOQNOKSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000449494078 874951015 /nfs/dbraw/zinc/95/10/15/874951015.db2.gz GBWNOXUOYSDZRD-MJGOQNOKSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000449494078 874951028 /nfs/dbraw/zinc/95/10/28/874951028.db2.gz GBWNOXUOYSDZRD-MJGOQNOKSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000449494078 874951038 /nfs/dbraw/zinc/95/10/38/874951038.db2.gz GBWNOXUOYSDZRD-MJGOQNOKSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000449494076 874951306 /nfs/dbraw/zinc/95/13/06/874951306.db2.gz GBWNOXUOYSDZRD-HKUYNNGSSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000449494076 874951315 /nfs/dbraw/zinc/95/13/15/874951315.db2.gz GBWNOXUOYSDZRD-HKUYNNGSSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000449494076 874951322 /nfs/dbraw/zinc/95/13/22/874951322.db2.gz GBWNOXUOYSDZRD-HKUYNNGSSA-N 2 2 377.960 3.667 20 0 GHADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@@H](C)c3ccc(Cl)cc3)C2)CC1 ZINC000449494076 874951328 /nfs/dbraw/zinc/95/13/28/874951328.db2.gz GBWNOXUOYSDZRD-HKUYNNGSSA-N 2 2 377.960 3.667 20 0 GHADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542116051 874955001 /nfs/dbraw/zinc/95/50/01/874955001.db2.gz RGDOOSWZAVFCMO-NRFANRHFSA-N 2 2 389.588 3.740 20 0 GHADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542116051 874955011 /nfs/dbraw/zinc/95/50/11/874955011.db2.gz RGDOOSWZAVFCMO-NRFANRHFSA-N 2 2 389.588 3.740 20 0 GHADLP CN(C)c1c(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)ccc(F)c1F ZINC000858146309 882882907 /nfs/dbraw/zinc/88/29/07/882882907.db2.gz CFKLQLNYVUTBBA-UHFFFAOYSA-N 2 2 388.506 3.855 20 0 GHADLP C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542131967 875026513 /nfs/dbraw/zinc/02/65/13/875026513.db2.gz DNMRZJHZPWELTL-LJQANCHMSA-N 2 2 380.536 3.743 20 0 GHADLP C[C@@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542133716 875031830 /nfs/dbraw/zinc/03/18/30/875031830.db2.gz ZNRAPIZPTGKTID-KRWDZBQOSA-N 2 2 388.943 3.734 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)CC(F)(F)F ZINC001199609458 875076171 /nfs/dbraw/zinc/07/61/71/875076171.db2.gz RSRTVGYZFAKUSL-ZIAGYGMSSA-N 2 2 392.466 3.733 20 0 GHADLP CN(C(=O)CC1(c2ccccc2)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000528896887 875237646 /nfs/dbraw/zinc/23/76/46/875237646.db2.gz SGDXJZWVIKVLRO-GOTSBHOMSA-N 2 2 397.607 3.904 20 0 GHADLP CN(C(=O)CC1(c2ccccc2)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000528896887 875237657 /nfs/dbraw/zinc/23/76/57/875237657.db2.gz SGDXJZWVIKVLRO-GOTSBHOMSA-N 2 2 397.607 3.904 20 0 GHADLP CO[C@@H](C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000669934475 875660733 /nfs/dbraw/zinc/66/07/33/875660733.db2.gz FVESQEFDMCMYEB-FCHUYYIVSA-N 2 2 388.939 3.596 20 0 GHADLP CO[C@@H](C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000669934475 875660738 /nfs/dbraw/zinc/66/07/38/875660738.db2.gz FVESQEFDMCMYEB-FCHUYYIVSA-N 2 2 388.939 3.596 20 0 GHADLP CO[C@@H](C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000669934475 875660746 /nfs/dbraw/zinc/66/07/46/875660746.db2.gz FVESQEFDMCMYEB-FCHUYYIVSA-N 2 2 388.939 3.596 20 0 GHADLP CO[C@@H](C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000669934475 875660751 /nfs/dbraw/zinc/66/07/51/875660751.db2.gz FVESQEFDMCMYEB-FCHUYYIVSA-N 2 2 388.939 3.596 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+](Cn2c3c(sc2=O)C[C@H](CC)CC3)CC1 ZINC000151804879 875946186 /nfs/dbraw/zinc/94/61/86/875946186.db2.gz FVMWYMKFVRVDAD-QGZVFWFLSA-N 2 2 379.614 3.826 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+](Cn2c3c(sc2=O)C[C@H](CC)CC3)CC1 ZINC000151804879 875946195 /nfs/dbraw/zinc/94/61/95/875946195.db2.gz FVMWYMKFVRVDAD-QGZVFWFLSA-N 2 2 379.614 3.826 20 0 GHADLP Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001202025669 875968037 /nfs/dbraw/zinc/96/80/37/875968037.db2.gz YZZFZVJCSJBANX-FQEVSTJZSA-N 2 2 399.922 3.617 20 0 GHADLP C[C@@H](c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1)[NH+](C)C ZINC000785584281 876111239 /nfs/dbraw/zinc/11/12/39/876111239.db2.gz LEPBSZUUACILRP-KRWDZBQOSA-N 2 2 392.503 3.858 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@@H+]1C ZINC000529526901 876290405 /nfs/dbraw/zinc/29/04/05/876290405.db2.gz ANUPFQWVTWGPOG-WCQYABFASA-N 2 2 383.359 3.815 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@H+]1C ZINC000529526901 876290419 /nfs/dbraw/zinc/29/04/19/876290419.db2.gz ANUPFQWVTWGPOG-WCQYABFASA-N 2 2 383.359 3.815 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(Br)s2)CC[NH+]1C ZINC000529526901 876290442 /nfs/dbraw/zinc/29/04/42/876290442.db2.gz ANUPFQWVTWGPOG-WCQYABFASA-N 2 2 383.359 3.815 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc(Br)s2)CC[NH+]1C ZINC000529526901 876290461 /nfs/dbraw/zinc/29/04/61/876290461.db2.gz ANUPFQWVTWGPOG-WCQYABFASA-N 2 2 383.359 3.815 20 0 GHADLP COC[C@]1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)COc2ccccc2C1 ZINC000529669203 876492375 /nfs/dbraw/zinc/49/23/75/876492375.db2.gz RCFWVSCROJHOLW-VWNXMTODSA-N 2 2 392.543 3.794 20 0 GHADLP COC[C@]1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)COc2ccccc2C1 ZINC000529669203 876492378 /nfs/dbraw/zinc/49/23/78/876492378.db2.gz RCFWVSCROJHOLW-VWNXMTODSA-N 2 2 392.543 3.794 20 0 GHADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000858367001 883051180 /nfs/dbraw/zinc/05/11/80/883051180.db2.gz HJUOCUICPNFSGO-QZTJIDSGSA-N 2 2 387.549 3.622 20 0 GHADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000858367001 883051197 /nfs/dbraw/zinc/05/11/97/883051197.db2.gz HJUOCUICPNFSGO-QZTJIDSGSA-N 2 2 387.549 3.622 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000786834117 876952107 /nfs/dbraw/zinc/95/21/07/876952107.db2.gz JULXWYSEBQTKKN-QFIPXVFZSA-N 2 2 389.499 3.764 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000850531919 877002930 /nfs/dbraw/zinc/00/29/30/877002930.db2.gz OBADJMVKERCUNA-KZNAEPCWSA-N 2 2 391.462 3.661 20 0 GHADLP CC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395233 877005592 /nfs/dbraw/zinc/00/55/92/877005592.db2.gz QDBKZOCRVWAACE-YADHBBJMSA-N 2 2 398.595 3.801 20 0 GHADLP CC[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395233 877005600 /nfs/dbraw/zinc/00/56/00/877005600.db2.gz QDBKZOCRVWAACE-YADHBBJMSA-N 2 2 398.595 3.801 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403638 877010597 /nfs/dbraw/zinc/01/05/97/877010597.db2.gz PXCNINNMMDYMBR-FPOVZHCZSA-N 2 2 397.538 3.799 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403638 877010605 /nfs/dbraw/zinc/01/06/05/877010605.db2.gz PXCNINNMMDYMBR-FPOVZHCZSA-N 2 2 397.538 3.799 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174403638 877010617 /nfs/dbraw/zinc/01/06/17/877010617.db2.gz PXCNINNMMDYMBR-FPOVZHCZSA-N 2 2 397.538 3.799 20 0 GHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174403638 877010632 /nfs/dbraw/zinc/01/06/32/877010632.db2.gz PXCNINNMMDYMBR-FPOVZHCZSA-N 2 2 397.538 3.799 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000786920763 877029940 /nfs/dbraw/zinc/02/99/40/877029940.db2.gz OMXUOCDZHXXMJE-DVECYGJZSA-N 2 2 392.547 3.922 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000786920763 877029955 /nfs/dbraw/zinc/02/99/55/877029955.db2.gz OMXUOCDZHXXMJE-DVECYGJZSA-N 2 2 392.547 3.922 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000451022959 877203913 /nfs/dbraw/zinc/20/39/13/877203913.db2.gz SYDSHUCYMKTCOZ-HXUWFJFHSA-N 2 2 389.975 3.769 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000451022959 877203928 /nfs/dbraw/zinc/20/39/28/877203928.db2.gz SYDSHUCYMKTCOZ-HXUWFJFHSA-N 2 2 389.975 3.769 20 0 GHADLP CC[N@@H+](Cc1cc(Br)nn1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000787197611 877244575 /nfs/dbraw/zinc/24/45/75/877244575.db2.gz RQFICSVYXKQLJX-KRWDZBQOSA-N 2 2 391.357 3.527 20 0 GHADLP CC[N@H+](Cc1cc(Br)nn1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000787197611 877244590 /nfs/dbraw/zinc/24/45/90/877244590.db2.gz RQFICSVYXKQLJX-KRWDZBQOSA-N 2 2 391.357 3.527 20 0 GHADLP CC[NH+](Cc1cc(Br)nn1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000787197611 877244602 /nfs/dbraw/zinc/24/46/02/877244602.db2.gz RQFICSVYXKQLJX-KRWDZBQOSA-N 2 2 391.357 3.527 20 0 GHADLP CC[NH+](Cc1cc(Br)nn1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000787197611 877244609 /nfs/dbraw/zinc/24/46/09/877244609.db2.gz RQFICSVYXKQLJX-KRWDZBQOSA-N 2 2 391.357 3.527 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000181008934 883116722 /nfs/dbraw/zinc/11/67/22/883116722.db2.gz DGXSITHTCXHPLI-MJGOQNOKSA-N 2 2 393.560 3.643 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000181008934 883116730 /nfs/dbraw/zinc/11/67/30/883116730.db2.gz DGXSITHTCXHPLI-MJGOQNOKSA-N 2 2 393.560 3.643 20 0 GHADLP CC[N@H+](CCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[C@H](C)Cc1ccc(O)cc1 ZINC001183049261 912219524 /nfs/dbraw/zinc/21/95/24/912219524.db2.gz ADKBNYIZJZALPS-QUCCMNQESA-N 2 2 398.551 3.555 20 0 GHADLP CC[N@@H+](CCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[C@H](C)Cc1ccc(O)cc1 ZINC001183049261 912219539 /nfs/dbraw/zinc/21/95/39/912219539.db2.gz ADKBNYIZJZALPS-QUCCMNQESA-N 2 2 398.551 3.555 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245441295 877886063 /nfs/dbraw/zinc/88/60/63/877886063.db2.gz HFWYIGLTNUCCGC-KSZLIROESA-N 2 2 377.960 3.714 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245441295 877886073 /nfs/dbraw/zinc/88/60/73/877886073.db2.gz HFWYIGLTNUCCGC-KSZLIROESA-N 2 2 377.960 3.714 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245443748 877890154 /nfs/dbraw/zinc/89/01/54/877890154.db2.gz JBZKAHYPLJSJLP-SIKLNZKXSA-N 2 2 397.538 3.627 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245443748 877890162 /nfs/dbraw/zinc/89/01/62/877890162.db2.gz JBZKAHYPLJSJLP-SIKLNZKXSA-N 2 2 397.538 3.627 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245443748 877890171 /nfs/dbraw/zinc/89/01/71/877890171.db2.gz JBZKAHYPLJSJLP-SIKLNZKXSA-N 2 2 397.538 3.627 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245443748 877890187 /nfs/dbraw/zinc/89/01/87/877890187.db2.gz JBZKAHYPLJSJLP-SIKLNZKXSA-N 2 2 397.538 3.627 20 0 GHADLP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)N1CCSc2ccccc21 ZINC000642713108 912295409 /nfs/dbraw/zinc/29/54/09/912295409.db2.gz LFXRJEIVXGIXIF-UHFFFAOYSA-N 2 2 387.593 3.713 20 0 GHADLP CC1(C)C(=O)N(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)[C@@H]1c1ccccc1 ZINC000788382989 878047675 /nfs/dbraw/zinc/04/76/75/878047675.db2.gz RKRPXXWXOPXCIL-OAQYLSRUSA-N 2 2 392.547 3.966 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)NCCNc1cccc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000537721181 878195450 /nfs/dbraw/zinc/19/54/50/878195450.db2.gz WWQKMMTUWVDTRH-SFHVURJKSA-N 2 2 394.441 3.712 20 0 GHADLP C[C@H](CCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[N@H+](C)Cc1ccccc1 ZINC000746758346 878263776 /nfs/dbraw/zinc/26/37/76/878263776.db2.gz VUBQLWYYRIVGGZ-LJQANCHMSA-N 2 2 391.519 3.582 20 0 GHADLP C[C@H](CCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000746758346 878263791 /nfs/dbraw/zinc/26/37/91/878263791.db2.gz VUBQLWYYRIVGGZ-LJQANCHMSA-N 2 2 391.519 3.582 20 0 GHADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000245689970 878393032 /nfs/dbraw/zinc/39/30/32/878393032.db2.gz JHJNIRLDPIEOQY-PTUXOGIPSA-N 2 2 385.596 3.976 20 0 GHADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000245689970 878393050 /nfs/dbraw/zinc/39/30/50/878393050.db2.gz JHJNIRLDPIEOQY-PTUXOGIPSA-N 2 2 385.596 3.976 20 0 GHADLP CN(C(=O)CSc1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245748954 878536870 /nfs/dbraw/zinc/53/68/70/878536870.db2.gz XBUVXQTVASNKRD-NHCUHLMSSA-N 2 2 389.609 3.574 20 0 GHADLP CN(C(=O)CSc1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245748954 878536880 /nfs/dbraw/zinc/53/68/80/878536880.db2.gz XBUVXQTVASNKRD-NHCUHLMSSA-N 2 2 389.609 3.574 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000538100374 878808792 /nfs/dbraw/zinc/80/87/92/878808792.db2.gz FGJJOEYWXZWGFN-RTBURBONSA-N 2 2 398.378 3.977 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000538100374 878808800 /nfs/dbraw/zinc/80/88/00/878808800.db2.gz FGJJOEYWXZWGFN-RTBURBONSA-N 2 2 398.378 3.977 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000531067932 879059369 /nfs/dbraw/zinc/05/93/69/879059369.db2.gz FUKNHQLQJDUNFE-HXUWFJFHSA-N 2 2 382.895 3.618 20 0 GHADLP Cc1ccc2[nH]c(C[NH2+][C@@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)nc2c1 ZINC000538294885 879197278 /nfs/dbraw/zinc/19/72/78/879197278.db2.gz VMYDWZUNKSZHGT-HXUWFJFHSA-N 2 2 376.504 3.949 20 0 GHADLP Cc1ccc2nc(C[NH2+][C@@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)[nH]c2c1 ZINC000538294885 879197282 /nfs/dbraw/zinc/19/72/82/879197282.db2.gz VMYDWZUNKSZHGT-HXUWFJFHSA-N 2 2 376.504 3.949 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1c(Cl)cccc1N1CCCC1 ZINC000538305537 879225291 /nfs/dbraw/zinc/22/52/91/879225291.db2.gz RWHRDNPANLEKOB-TYCQWZJGSA-N 2 2 377.960 3.624 20 0 GHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1c(Cl)cccc1N1CCCC1 ZINC000538305537 879225302 /nfs/dbraw/zinc/22/53/02/879225302.db2.gz RWHRDNPANLEKOB-TYCQWZJGSA-N 2 2 377.960 3.624 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1nc2ccc(Cl)cc2n1C ZINC000246215744 879235613 /nfs/dbraw/zinc/23/56/13/879235613.db2.gz ZCNJWRCDHGGSNE-ADLFWFRXSA-N 2 2 390.959 3.645 20 0 GHADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnc(C3CCCCC3)s2)nc[nH+]1 ZINC000531213214 879353224 /nfs/dbraw/zinc/35/32/24/879353224.db2.gz HDGZOXRAMFVRMV-INIZCTEOSA-N 2 2 386.569 3.781 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](CCc2ccccc2)c2ccccn2)CC1 ZINC001183345463 912462247 /nfs/dbraw/zinc/46/22/47/912462247.db2.gz JPYDUSKYTHNLJN-QHCPKHFHSA-N 2 2 395.547 3.763 20 0 GHADLP O=C1O[C@@]2(CN1C[N@@H+]1CCCC[C@@H]1c1cc3ccccc3[nH]1)C[NH+]1CCC2CC1 ZINC000790362630 879630774 /nfs/dbraw/zinc/63/07/74/879630774.db2.gz MSLFMKAEPIGQCH-FYYLOGMGSA-N 2 2 394.519 3.569 20 0 GHADLP O=C1O[C@@]2(CN1C[N@H+]1CCCC[C@@H]1c1cc3ccccc3[nH]1)C[NH+]1CCC2CC1 ZINC000790362630 879630791 /nfs/dbraw/zinc/63/07/91/879630791.db2.gz MSLFMKAEPIGQCH-FYYLOGMGSA-N 2 2 394.519 3.569 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccc(N2CCCC2=O)cc1 ZINC000854222215 879640696 /nfs/dbraw/zinc/64/06/96/879640696.db2.gz DGMNEMHAUIPNJN-KNXBSLHKSA-N 2 2 381.495 3.749 20 0 GHADLP CC(C)c1ccc(C[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C2CC2)cc1 ZINC000790367866 879670888 /nfs/dbraw/zinc/67/08/88/879670888.db2.gz MBJRJDRFSNPLDU-QHCPKHFHSA-N 2 2 383.536 3.649 20 0 GHADLP CC(C)c1ccc(C[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C2CC2)cc1 ZINC000790367866 879670896 /nfs/dbraw/zinc/67/08/96/879670896.db2.gz MBJRJDRFSNPLDU-QHCPKHFHSA-N 2 2 383.536 3.649 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000247025278 879889910 /nfs/dbraw/zinc/88/99/10/879889910.db2.gz MLHXGHDIQMQTKS-IYOUNJFTSA-N 2 2 386.367 3.833 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000247025278 879889926 /nfs/dbraw/zinc/88/99/26/879889926.db2.gz MLHXGHDIQMQTKS-IYOUNJFTSA-N 2 2 386.367 3.833 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000247025278 879889940 /nfs/dbraw/zinc/88/99/40/879889940.db2.gz MLHXGHDIQMQTKS-IYOUNJFTSA-N 2 2 386.367 3.833 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000247025278 879889958 /nfs/dbraw/zinc/88/99/58/879889958.db2.gz MLHXGHDIQMQTKS-IYOUNJFTSA-N 2 2 386.367 3.833 20 0 GHADLP Cc1nc2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)cc2s1 ZINC000494135041 879939528 /nfs/dbraw/zinc/93/95/28/879939528.db2.gz GRMHJBXVFMKBPH-VQTJNVASSA-N 2 2 381.545 3.577 20 0 GHADLP Cc1nc2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)cc2s1 ZINC000494135041 879939541 /nfs/dbraw/zinc/93/95/41/879939541.db2.gz GRMHJBXVFMKBPH-VQTJNVASSA-N 2 2 381.545 3.577 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000247220222 879945450 /nfs/dbraw/zinc/94/54/50/879945450.db2.gz XPLOAFBRGXTPEM-ABSDTBQOSA-N 2 2 377.960 3.856 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000247220222 879945466 /nfs/dbraw/zinc/94/54/66/879945466.db2.gz XPLOAFBRGXTPEM-ABSDTBQOSA-N 2 2 377.960 3.856 20 0 GHADLP C[N@@H+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000226621977 880036637 /nfs/dbraw/zinc/03/66/37/880036637.db2.gz KIPNYIPQLVZIGR-NHCUHLMSSA-N 2 2 396.535 3.505 20 0 GHADLP C[N@H+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000226621977 880036654 /nfs/dbraw/zinc/03/66/54/880036654.db2.gz KIPNYIPQLVZIGR-NHCUHLMSSA-N 2 2 396.535 3.505 20 0 GHADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000183060933 880054010 /nfs/dbraw/zinc/05/40/10/880054010.db2.gz MXOSYIGQBJEKMU-IBGZPJMESA-N 2 2 380.532 3.953 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)[C@H](C)C1 ZINC000453109281 880477201 /nfs/dbraw/zinc/47/72/01/880477201.db2.gz AGMYBKURYJCBKS-SBHAEUEKSA-N 2 2 384.568 3.875 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)[C@H](C)C1 ZINC000453109281 880477210 /nfs/dbraw/zinc/47/72/10/880477210.db2.gz AGMYBKURYJCBKS-SBHAEUEKSA-N 2 2 384.568 3.875 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1CC12CC([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C2 ZINC001183498191 912594128 /nfs/dbraw/zinc/59/41/28/912594128.db2.gz DOTVBHBRKJQZFX-KLOMGHIOSA-N 2 2 382.508 3.660 20 0 GHADLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C12CCCC2 ZINC000453319012 880790965 /nfs/dbraw/zinc/79/09/65/880790965.db2.gz CIQPABUZICBSKS-XZOQPEGZSA-N 2 2 399.579 3.937 20 0 GHADLP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000531937418 880792303 /nfs/dbraw/zinc/79/23/03/880792303.db2.gz JHCXJHXNADBORC-AWEZNQCLSA-N 2 2 394.441 3.788 20 0 GHADLP Clc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000531951914 880811091 /nfs/dbraw/zinc/81/10/91/880811091.db2.gz HRSSCTMUFSUINQ-NRFANRHFSA-N 2 2 386.923 3.828 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000186459777 880891858 /nfs/dbraw/zinc/89/18/58/880891858.db2.gz CAIWQEGTHHJWNZ-MRXNPFEDSA-N 2 2 383.458 3.663 20 0 GHADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000263217832 883189471 /nfs/dbraw/zinc/18/94/71/883189471.db2.gz LEWCKNPQFXAQOV-IERDGZPVSA-N 2 2 384.549 3.548 20 0 GHADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000263217832 883189477 /nfs/dbraw/zinc/18/94/77/883189477.db2.gz LEWCKNPQFXAQOV-IERDGZPVSA-N 2 2 384.549 3.548 20 0 GHADLP CC(C)C[NH+]1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000643476277 912718832 /nfs/dbraw/zinc/71/88/32/912718832.db2.gz XSEGLDZWTYEJOC-UHFFFAOYSA-N 2 2 381.524 3.692 20 0 GHADLP COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000551418634 883840240 /nfs/dbraw/zinc/84/02/40/883840240.db2.gz OKAUAAQBDPWUJA-PGRDOPGGSA-N 2 2 377.488 3.691 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000191945484 884222620 /nfs/dbraw/zinc/22/26/20/884222620.db2.gz ZQAPNLWXBWZLOQ-GOSISDBHSA-N 2 2 380.536 3.651 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1Cl ZINC000498602883 885006625 /nfs/dbraw/zinc/00/66/25/885006625.db2.gz SOXBXNLBJBDMJG-LEWJYISDSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1Cl ZINC000498602883 885006637 /nfs/dbraw/zinc/00/66/37/885006637.db2.gz SOXBXNLBJBDMJG-LEWJYISDSA-N 2 2 385.939 3.724 20 0 GHADLP C[NH+](C)C1CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)OCc2ccccc2)CC1 ZINC001168297737 885053200 /nfs/dbraw/zinc/05/32/00/885053200.db2.gz IDYBFIAJYBGDGY-BBHUYCHWSA-N 2 2 396.531 3.509 20 0 GHADLP O=C(CC[N@H+]1CCC[C@H]1c1cccc(Cl)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000053158104 885079519 /nfs/dbraw/zinc/07/95/19/885079519.db2.gz FNNPTYFQKSTPLZ-FQEVSTJZSA-N 2 2 398.938 3.611 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@H]1c1cccc(Cl)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000053158104 885079527 /nfs/dbraw/zinc/07/95/27/885079527.db2.gz FNNPTYFQKSTPLZ-FQEVSTJZSA-N 2 2 398.938 3.611 20 0 GHADLP COc1ccc([C@H](Cc2ccccc2)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655767250 885403667 /nfs/dbraw/zinc/40/36/67/885403667.db2.gz ANWJQALKYSXTGM-UPVQGACJSA-N 2 2 380.532 3.822 20 0 GHADLP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655767248 885403997 /nfs/dbraw/zinc/40/39/97/885403997.db2.gz ANWJQALKYSXTGM-ISKFKSNPSA-N 2 2 380.532 3.822 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000151658026 885729215 /nfs/dbraw/zinc/72/92/15/885729215.db2.gz ZYUQDHCRBTYCKR-UHFFFAOYSA-N 3 2 391.003 3.588 20 0 GHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000103303280 885989882 /nfs/dbraw/zinc/98/98/82/885989882.db2.gz WXSUNXJYGQILRI-UHFFFAOYSA-N 2 2 395.551 3.662 20 0 GHADLP Cc1cncc(COCc2cnc3n2CC[N@H+](C2CCC([NH+](C)C)CC2)[C@@H]3C)c1 ZINC001168322463 886462053 /nfs/dbraw/zinc/46/20/53/886462053.db2.gz CCTFWPJKTJQITD-KMFTYDHNSA-N 2 2 397.567 3.553 20 0 GHADLP Cc1cncc(COCc2cnc3n2CC[N@@H+](C2CCC([NH+](C)C)CC2)[C@@H]3C)c1 ZINC001168322463 886462060 /nfs/dbraw/zinc/46/20/60/886462060.db2.gz CCTFWPJKTJQITD-KMFTYDHNSA-N 2 2 397.567 3.553 20 0 GHADLP C[NH+](C)C1CCC([NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)CC1 ZINC001168322629 886468049 /nfs/dbraw/zinc/46/80/49/886468049.db2.gz UFISAAZFFURBIE-UHFFFAOYSA-N 3 2 382.552 3.538 20 0 GHADLP C[NH+](C)C1CCC([NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)CC1 ZINC001168322629 886468055 /nfs/dbraw/zinc/46/80/55/886468055.db2.gz UFISAAZFFURBIE-UHFFFAOYSA-N 3 2 382.552 3.538 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168322629 886468060 /nfs/dbraw/zinc/46/80/60/886468060.db2.gz UFISAAZFFURBIE-UHFFFAOYSA-N 3 2 382.552 3.538 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168322629 886468073 /nfs/dbraw/zinc/46/80/73/886468073.db2.gz UFISAAZFFURBIE-UHFFFAOYSA-N 3 2 382.552 3.538 20 0 GHADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000499053572 886512374 /nfs/dbraw/zinc/51/23/74/886512374.db2.gz IINQTAXSWWNCMJ-KRWDZBQOSA-N 2 2 381.307 3.992 20 0 GHADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000499053572 886512381 /nfs/dbraw/zinc/51/23/81/886512381.db2.gz IINQTAXSWWNCMJ-KRWDZBQOSA-N 2 2 381.307 3.992 20 0 GHADLP O[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000795948656 913065279 /nfs/dbraw/zinc/06/52/79/913065279.db2.gz ASDURTHYBLLSAA-DQEYMECFSA-N 2 2 393.575 3.787 20 0 GHADLP O[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000795948656 913065296 /nfs/dbraw/zinc/06/52/96/913065296.db2.gz ASDURTHYBLLSAA-DQEYMECFSA-N 2 2 393.575 3.787 20 0 GHADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000132157230 886707794 /nfs/dbraw/zinc/70/77/94/886707794.db2.gz VUDTZKSJGDFBIY-FQEVSTJZSA-N 2 2 377.488 3.986 20 0 GHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)ccc2c1 ZINC000429551606 886732918 /nfs/dbraw/zinc/73/29/18/886732918.db2.gz FSJGPRPKZQMNQB-XMSQKQJNSA-N 2 2 397.563 3.611 20 0 GHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CCC[C@@H]([NH+](C)C)CC3)ccc2c1 ZINC000429551606 886732925 /nfs/dbraw/zinc/73/29/25/886732925.db2.gz FSJGPRPKZQMNQB-XMSQKQJNSA-N 2 2 397.563 3.611 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000808787585 886778190 /nfs/dbraw/zinc/77/81/90/886778190.db2.gz ILIRZPOIAFVHAM-CCDWMCETSA-N 2 2 390.527 3.544 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000808787585 886778205 /nfs/dbraw/zinc/77/82/05/886778205.db2.gz ILIRZPOIAFVHAM-CCDWMCETSA-N 2 2 390.527 3.544 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000425139627 887177624 /nfs/dbraw/zinc/17/76/24/887177624.db2.gz CJYSENFBTBSZCW-VXKWHMMOSA-N 2 2 388.515 3.885 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC(F)F)C1 ZINC000131290019 887526349 /nfs/dbraw/zinc/52/63/49/887526349.db2.gz UVWKJUFNRBIZDB-AWEZNQCLSA-N 2 2 394.491 3.628 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC(F)F)C1 ZINC000131290019 887526357 /nfs/dbraw/zinc/52/63/57/887526357.db2.gz UVWKJUFNRBIZDB-AWEZNQCLSA-N 2 2 394.491 3.628 20 0 GHADLP O=C(NCCCCNc1cccc[nH+]1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000105094163 887579376 /nfs/dbraw/zinc/57/93/76/887579376.db2.gz YVELYZYWVCZXEK-UHFFFAOYSA-N 2 2 395.551 3.759 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@H]21 ZINC000459358706 887662190 /nfs/dbraw/zinc/66/21/90/887662190.db2.gz NCZQUDBOCILTLA-XMSQKQJNSA-N 2 2 379.552 3.976 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@H]21 ZINC000459358706 887662195 /nfs/dbraw/zinc/66/21/95/887662195.db2.gz NCZQUDBOCILTLA-XMSQKQJNSA-N 2 2 379.552 3.976 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@H]21 ZINC000459358706 887662198 /nfs/dbraw/zinc/66/21/98/887662198.db2.gz NCZQUDBOCILTLA-XMSQKQJNSA-N 2 2 379.552 3.976 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@H]21 ZINC000459358706 887662205 /nfs/dbraw/zinc/66/22/05/887662205.db2.gz NCZQUDBOCILTLA-XMSQKQJNSA-N 2 2 379.552 3.976 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)s1 ZINC000809655724 887664455 /nfs/dbraw/zinc/66/44/55/887664455.db2.gz JTRCZHMRGPTXJR-UHFFFAOYSA-N 2 2 380.945 3.544 20 0 GHADLP Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c[nH+]1 ZINC000536618094 887669153 /nfs/dbraw/zinc/66/91/53/887669153.db2.gz DWWWYIKPAOEWEH-DNVCBOLYSA-N 2 2 390.890 3.727 20 0 GHADLP Cc1cc(NC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c[nH+]1 ZINC000536618094 887669157 /nfs/dbraw/zinc/66/91/57/887669157.db2.gz DWWWYIKPAOEWEH-DNVCBOLYSA-N 2 2 390.890 3.727 20 0 GHADLP COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000809696485 887674259 /nfs/dbraw/zinc/67/42/59/887674259.db2.gz KQGDOMCPMHLJPJ-LJQANCHMSA-N 2 2 386.458 3.572 20 0 GHADLP COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000809696485 887674269 /nfs/dbraw/zinc/67/42/69/887674269.db2.gz KQGDOMCPMHLJPJ-LJQANCHMSA-N 2 2 386.458 3.572 20 0 GHADLP COC(=O)[C@@]1(C(F)(F)F)CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000809696485 887674275 /nfs/dbraw/zinc/67/42/75/887674275.db2.gz KQGDOMCPMHLJPJ-LJQANCHMSA-N 2 2 386.458 3.572 20 0 GHADLP COC(=O)[C@@]1(C(F)(F)F)CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000809696485 887674282 /nfs/dbraw/zinc/67/42/82/887674282.db2.gz KQGDOMCPMHLJPJ-LJQANCHMSA-N 2 2 386.458 3.572 20 0 GHADLP COCOc1ccc(OC)cc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000809703483 887719975 /nfs/dbraw/zinc/71/99/75/887719975.db2.gz KPRQBAIQKQXYEH-XMMPIXPASA-N 2 2 396.531 3.776 20 0 GHADLP COCOc1ccc(OC)cc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000809703483 887719986 /nfs/dbraw/zinc/71/99/86/887719986.db2.gz KPRQBAIQKQXYEH-XMMPIXPASA-N 2 2 396.531 3.776 20 0 GHADLP COCOc1ccc(OC)cc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000809703483 887719999 /nfs/dbraw/zinc/71/99/99/887719999.db2.gz KPRQBAIQKQXYEH-XMMPIXPASA-N 2 2 396.531 3.776 20 0 GHADLP COCOc1ccc(OC)cc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000809703483 887720010 /nfs/dbraw/zinc/72/00/10/887720010.db2.gz KPRQBAIQKQXYEH-XMMPIXPASA-N 2 2 396.531 3.776 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)nn1 ZINC001170587011 887826121 /nfs/dbraw/zinc/82/61/21/887826121.db2.gz ZNYVGTFOVKMFDO-INIZCTEOSA-N 2 2 391.306 3.992 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)cn1 ZINC000794795907 888062101 /nfs/dbraw/zinc/06/21/01/888062101.db2.gz JOIXSNLPJBMINO-NRFANRHFSA-N 2 2 384.487 3.929 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)cn1 ZINC000794795915 888062621 /nfs/dbraw/zinc/06/26/21/888062621.db2.gz JOIXSNLPJBMINO-OAQYLSRUSA-N 2 2 384.487 3.929 20 0 GHADLP Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000055910681 888325108 /nfs/dbraw/zinc/32/51/08/888325108.db2.gz LPWYTRMYIOCFSU-QHCPKHFHSA-N 2 2 393.531 3.603 20 0 GHADLP Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000055910681 888325115 /nfs/dbraw/zinc/32/51/15/888325115.db2.gz LPWYTRMYIOCFSU-QHCPKHFHSA-N 2 2 393.531 3.603 20 0 GHADLP O=c1[nH]ccc2oc(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CC34CCC4)cc21 ZINC000865631735 888488669 /nfs/dbraw/zinc/48/86/69/888488669.db2.gz HXFHGYBRDVFJHB-SFHVURJKSA-N 2 2 377.488 3.925 20 0 GHADLP O=c1[nH]ccc2oc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)cc21 ZINC000865631735 888488673 /nfs/dbraw/zinc/48/86/73/888488673.db2.gz HXFHGYBRDVFJHB-SFHVURJKSA-N 2 2 377.488 3.925 20 0 GHADLP Cc1ccc(N2CCC(C(=O)NC[C@@H]([NH3+])c3ccc(C(C)C)cc3)CC2)[nH+]c1 ZINC000236818780 888653339 /nfs/dbraw/zinc/65/33/39/888653339.db2.gz BJQDKOZMKYOERM-OAQYLSRUSA-N 2 2 380.536 3.546 20 0 GHADLP Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000532720564 888702221 /nfs/dbraw/zinc/70/22/21/888702221.db2.gz JGQOMWCHNCAYFP-INIZCTEOSA-N 2 2 390.447 3.803 20 0 GHADLP Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000532720564 888702224 /nfs/dbraw/zinc/70/22/24/888702224.db2.gz JGQOMWCHNCAYFP-INIZCTEOSA-N 2 2 390.447 3.803 20 0 GHADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)C1 ZINC000866705744 889014415 /nfs/dbraw/zinc/01/44/15/889014415.db2.gz IGYHBRLBJSYNKT-NRFANRHFSA-N 2 2 386.565 3.521 20 0 GHADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)C1 ZINC000866705744 889014430 /nfs/dbraw/zinc/01/44/30/889014430.db2.gz IGYHBRLBJSYNKT-NRFANRHFSA-N 2 2 386.565 3.521 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@](C[NH3+])(C(C)(C)C)C3)n2)C1 ZINC000868095052 889290431 /nfs/dbraw/zinc/29/04/31/889290431.db2.gz OITHVLLAGJUKNR-QRWLVFNGSA-N 2 2 393.601 3.604 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@](C[NH3+])(C(C)(C)C)C3)n2)C1 ZINC000868095052 889290444 /nfs/dbraw/zinc/29/04/44/889290444.db2.gz OITHVLLAGJUKNR-QRWLVFNGSA-N 2 2 393.601 3.604 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000245702219 889297266 /nfs/dbraw/zinc/29/72/66/889297266.db2.gz MANBPXSYKXMNIT-NUNAXRQHSA-N 3 2 387.531 3.861 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000245702219 889297277 /nfs/dbraw/zinc/29/72/77/889297277.db2.gz MANBPXSYKXMNIT-NUNAXRQHSA-N 3 2 387.531 3.861 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000245703189 889309835 /nfs/dbraw/zinc/30/98/35/889309835.db2.gz MANBPXSYKXMNIT-WBDAEOGXSA-N 3 2 387.531 3.861 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000245703189 889309847 /nfs/dbraw/zinc/30/98/47/889309847.db2.gz MANBPXSYKXMNIT-WBDAEOGXSA-N 3 2 387.531 3.861 20 0 GHADLP CN(C(=O)c1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124521233 889659423 /nfs/dbraw/zinc/65/94/23/889659423.db2.gz DQYUSICZGXZQHF-PMACEKPBSA-N 2 2 377.960 3.749 20 0 GHADLP CN(C(=O)c1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124521233 889659431 /nfs/dbraw/zinc/65/94/31/889659431.db2.gz DQYUSICZGXZQHF-PMACEKPBSA-N 2 2 377.960 3.749 20 0 GHADLP CCc1cc(C)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000124532079 889664617 /nfs/dbraw/zinc/66/46/17/889664617.db2.gz SDZKMGMSZASRCF-UXHICEINSA-N 2 2 375.557 3.560 20 0 GHADLP CCc1cc(C)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000124532079 889664623 /nfs/dbraw/zinc/66/46/23/889664623.db2.gz SDZKMGMSZASRCF-UXHICEINSA-N 2 2 375.557 3.560 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000124800506 889767855 /nfs/dbraw/zinc/76/78/55/889767855.db2.gz AMBIPCOVMHHSRO-RBUKOAKNSA-N 2 2 377.598 3.774 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000124800506 889767865 /nfs/dbraw/zinc/76/78/65/889767865.db2.gz AMBIPCOVMHHSRO-RBUKOAKNSA-N 2 2 377.598 3.774 20 0 GHADLP CN(C(=O)c1cc(Cl)ccc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124807790 889770805 /nfs/dbraw/zinc/77/08/05/889770805.db2.gz PUDSRAFSZZEFLW-PMACEKPBSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1cc(Cl)ccc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124807790 889770814 /nfs/dbraw/zinc/77/08/14/889770814.db2.gz PUDSRAFSZZEFLW-PMACEKPBSA-N 2 2 395.950 3.888 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]CCC(=O)Nc2ccccc2F)c(C)c1 ZINC000644606599 913396985 /nfs/dbraw/zinc/39/69/85/913396985.db2.gz VUOZOMCTTKAWJA-OAQYLSRUSA-N 2 2 380.467 3.999 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@H](O)Cn1c3ccccc3c3ccccc31)CCC2 ZINC000644606198 913397450 /nfs/dbraw/zinc/39/74/50/913397450.db2.gz UHGKQUOEERIRQL-OALUTQOASA-N 2 2 388.515 3.828 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)cs1 ZINC001170664352 890396694 /nfs/dbraw/zinc/39/66/94/890396694.db2.gz JAGRCWRUSZDVFJ-HNNXBMFYSA-N 2 2 397.560 3.863 20 0 GHADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000812312441 890529542 /nfs/dbraw/zinc/52/95/42/890529542.db2.gz WSROWOOOTNEAPM-SFHVURJKSA-N 2 2 379.357 3.853 20 0 GHADLP [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000870881821 890560940 /nfs/dbraw/zinc/56/09/40/890560940.db2.gz NEQJNSRRPONMTJ-GRGXKFILSA-N 2 2 388.515 3.732 20 0 GHADLP O[C@H]1CCC[C@]1(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(F)cc1 ZINC000428570223 890590694 /nfs/dbraw/zinc/59/06/94/890590694.db2.gz HIHGUDZTPYRTBN-LEWJYISDSA-N 2 2 385.508 3.936 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c(C)c1 ZINC000533528105 890760442 /nfs/dbraw/zinc/76/04/42/890760442.db2.gz ZUHZFKDFHXFGLA-OAQYLSRUSA-N 2 2 397.567 3.803 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Br)c3OC(F)F)CC[C@H]21 ZINC000533558994 890843603 /nfs/dbraw/zinc/84/36/03/890843603.db2.gz YKQCREMLAQMOBS-IUODEOHRSA-N 2 2 389.284 3.967 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Br)c3OC(F)F)CC[C@H]21 ZINC000533558994 890843615 /nfs/dbraw/zinc/84/36/15/890843615.db2.gz YKQCREMLAQMOBS-IUODEOHRSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(Br)c3OC(F)F)CC[C@H]21 ZINC000533558994 890843624 /nfs/dbraw/zinc/84/36/24/890843624.db2.gz YKQCREMLAQMOBS-IUODEOHRSA-N 2 2 389.284 3.967 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(Br)c3OC(F)F)CC[C@H]21 ZINC000533558994 890843630 /nfs/dbraw/zinc/84/36/30/890843630.db2.gz YKQCREMLAQMOBS-IUODEOHRSA-N 2 2 389.284 3.967 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170684855 890900028 /nfs/dbraw/zinc/90/00/28/890900028.db2.gz GBJBHSSJLXNHTL-AJSBUHFISA-N 2 2 386.486 3.701 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170684855 890900043 /nfs/dbraw/zinc/90/00/43/890900043.db2.gz GBJBHSSJLXNHTL-AJSBUHFISA-N 2 2 386.486 3.701 20 0 GHADLP CC[NH+](CC)Cc1ccccc1Nc1ccc(N2CC[NH+](C3COC3)CC2)cc1 ZINC001211995648 890920346 /nfs/dbraw/zinc/92/03/46/890920346.db2.gz IFPOKWDJZIUWCR-UHFFFAOYSA-N 2 2 394.563 3.793 20 0 GHADLP CN(C(=O)c1cccc2[nH]ccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648077 891041202 /nfs/dbraw/zinc/04/12/02/891041202.db2.gz HIKYSEBRZRXDFC-FGZHOGPDSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1cccc2[nH]ccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648077 891041209 /nfs/dbraw/zinc/04/12/09/891041209.db2.gz HIKYSEBRZRXDFC-FGZHOGPDSA-N 2 2 382.552 3.577 20 0 GHADLP CC1CCC(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000533672728 891054930 /nfs/dbraw/zinc/05/49/30/891054930.db2.gz QXHKLBAFQUHQNN-IJZHQTRZSA-N 2 2 392.632 3.791 20 0 GHADLP CC1CCC(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000533672728 891054941 /nfs/dbraw/zinc/05/49/41/891054941.db2.gz QXHKLBAFQUHQNN-IJZHQTRZSA-N 2 2 392.632 3.791 20 0 GHADLP Brc1cccc([C@H]([NH2+]CCCCn2cc[nH+]c2)[C@H]2CCOC2)c1 ZINC000872022967 891120404 /nfs/dbraw/zinc/12/04/04/891120404.db2.gz AJXFWWNLZNJZDS-WMZOPIPTSA-N 2 2 378.314 3.793 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000455570736 891251227 /nfs/dbraw/zinc/25/12/27/891251227.db2.gz MKLHDYUIMGDNJR-GMAHTHKFSA-N 2 2 392.547 3.895 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000455570736 891251244 /nfs/dbraw/zinc/25/12/44/891251244.db2.gz MKLHDYUIMGDNJR-GMAHTHKFSA-N 2 2 392.547 3.895 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000455570734 891252129 /nfs/dbraw/zinc/25/21/29/891252129.db2.gz MKLHDYUIMGDNJR-FYYLOGMGSA-N 2 2 392.547 3.895 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000455570734 891252140 /nfs/dbraw/zinc/25/21/40/891252140.db2.gz MKLHDYUIMGDNJR-FYYLOGMGSA-N 2 2 392.547 3.895 20 0 GHADLP Cc1cccc(N2CCC([NH2+][C@@H](c3nccn3C)c3cccc(F)c3)CC2)[nH+]1 ZINC000497398463 891492498 /nfs/dbraw/zinc/49/24/98/891492498.db2.gz DGNSCSZVUSSHRI-OAQYLSRUSA-N 2 2 379.483 3.611 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000162015999 891974219 /nfs/dbraw/zinc/97/42/19/891974219.db2.gz SAYUBMLLHBVULO-OAHLLOKOSA-N 2 2 380.941 3.963 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCN(c4ccccc4F)C3)CC2)cc1 ZINC000813791843 891982944 /nfs/dbraw/zinc/98/29/44/891982944.db2.gz KDBKQELZNJFERV-LJQANCHMSA-N 2 2 382.527 3.729 20 0 GHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[NH+](C)C ZINC000497618828 892023228 /nfs/dbraw/zinc/02/32/28/892023228.db2.gz BZDJLOACRCBADV-GCJKJVERSA-N 2 2 391.519 3.671 20 0 GHADLP C[N@H+](C[C@H](O)COc1cccc2[nH]ccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000128889225 892604604 /nfs/dbraw/zinc/60/46/04/892604604.db2.gz PTOONHKGVGTRQK-NRFANRHFSA-N 2 2 393.531 3.504 20 0 GHADLP C[N@@H+](C[C@H](O)COc1cccc2[nH]ccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000128889225 892604619 /nfs/dbraw/zinc/60/46/19/892604619.db2.gz PTOONHKGVGTRQK-NRFANRHFSA-N 2 2 393.531 3.504 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508723382 892988020 /nfs/dbraw/zinc/98/80/20/892988020.db2.gz WHXHSSVWOCDXFV-ZJSXRUAMSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508723382 892988036 /nfs/dbraw/zinc/98/80/36/892988036.db2.gz WHXHSSVWOCDXFV-ZJSXRUAMSA-N 3 2 393.575 3.519 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000422002439 893189530 /nfs/dbraw/zinc/18/95/30/893189530.db2.gz AWUBBLLOCJMYER-UHFFFAOYSA-N 2 2 384.351 3.626 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000422002439 893189537 /nfs/dbraw/zinc/18/95/37/893189537.db2.gz AWUBBLLOCJMYER-UHFFFAOYSA-N 2 2 384.351 3.626 20 0 GHADLP C[N@H+](Cc1cnc2c(F)cccc2c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000876648569 893272847 /nfs/dbraw/zinc/27/28/47/893272847.db2.gz CBVBHNXQQXFQFS-UHFFFAOYSA-N 2 2 378.495 3.908 20 0 GHADLP C[N@@H+](Cc1cnc2c(F)cccc2c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000876648569 893272856 /nfs/dbraw/zinc/27/28/56/893272856.db2.gz CBVBHNXQQXFQFS-UHFFFAOYSA-N 2 2 378.495 3.908 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@H](C)C1 ZINC000876765771 893320138 /nfs/dbraw/zinc/32/01/38/893320138.db2.gz XKSZREMTESVQGD-NVXWUHKLSA-N 2 2 394.560 3.597 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@H](C)C1 ZINC000876765771 893320159 /nfs/dbraw/zinc/32/01/59/893320159.db2.gz XKSZREMTESVQGD-NVXWUHKLSA-N 2 2 394.560 3.597 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@H](C)C1 ZINC000876765771 893320178 /nfs/dbraw/zinc/32/01/78/893320178.db2.gz XKSZREMTESVQGD-NVXWUHKLSA-N 2 2 394.560 3.597 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@H](C)C1 ZINC000876765771 893320200 /nfs/dbraw/zinc/32/02/00/893320200.db2.gz XKSZREMTESVQGD-NVXWUHKLSA-N 2 2 394.560 3.597 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H]([NH2+]CCCCn3cc[nH+]c3)CC[C@@H]21 ZINC000876958400 893406598 /nfs/dbraw/zinc/40/65/98/893406598.db2.gz BMEYCBNPLQJGJV-QYZOEREBSA-N 2 2 376.545 3.821 20 0 GHADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000444799993 893582158 /nfs/dbraw/zinc/58/21/58/893582158.db2.gz IPAFDEVXDNSDRE-UTKZUKDTSA-N 2 2 376.504 3.630 20 0 GHADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000444799993 893582172 /nfs/dbraw/zinc/58/21/72/893582172.db2.gz IPAFDEVXDNSDRE-UTKZUKDTSA-N 2 2 376.504 3.630 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@H](CN2CCCC2=O)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000556059246 893583424 /nfs/dbraw/zinc/58/34/24/893583424.db2.gz LFDQUVNZUKTCSX-YTFSRNRJSA-N 2 2 377.532 3.775 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@H](CN2CCCC2=O)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000556059246 893583434 /nfs/dbraw/zinc/58/34/34/893583434.db2.gz LFDQUVNZUKTCSX-YTFSRNRJSA-N 2 2 377.532 3.775 20 0 GHADLP CCOc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc(Cl)c1O ZINC000459490004 893661222 /nfs/dbraw/zinc/66/12/22/893661222.db2.gz RLWFFOUPMJYZKE-PXNSSMCTSA-N 2 2 389.927 3.964 20 0 GHADLP CCOc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc(Cl)c1O ZINC000459490004 893661231 /nfs/dbraw/zinc/66/12/31/893661231.db2.gz RLWFFOUPMJYZKE-PXNSSMCTSA-N 2 2 389.927 3.964 20 0 GHADLP CCOc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc(Cl)c1O ZINC000459490004 893661236 /nfs/dbraw/zinc/66/12/36/893661236.db2.gz RLWFFOUPMJYZKE-PXNSSMCTSA-N 2 2 389.927 3.964 20 0 GHADLP CCOc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc(Cl)c1O ZINC000459490004 893661243 /nfs/dbraw/zinc/66/12/43/893661243.db2.gz RLWFFOUPMJYZKE-PXNSSMCTSA-N 2 2 389.927 3.964 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)C[C@@H]1c1ccccc1 ZINC000556119557 893832995 /nfs/dbraw/zinc/83/29/95/893832995.db2.gz AGMWTRVHEGTSDQ-BBTUJRGHSA-N 2 2 383.923 3.870 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)C[C@@H]1c1ccccc1 ZINC000556119557 893833014 /nfs/dbraw/zinc/83/30/14/893833014.db2.gz AGMWTRVHEGTSDQ-BBTUJRGHSA-N 2 2 383.923 3.870 20 0 GHADLP FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000563669098 894048048 /nfs/dbraw/zinc/04/80/48/894048048.db2.gz FWPKOZUCFJPKLZ-HOCLYGCPSA-N 2 2 380.414 3.719 20 0 GHADLP FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000563669098 894048066 /nfs/dbraw/zinc/04/80/66/894048066.db2.gz FWPKOZUCFJPKLZ-HOCLYGCPSA-N 2 2 380.414 3.719 20 0 GHADLP C[C@@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878384854 894246408 /nfs/dbraw/zinc/24/64/08/894246408.db2.gz RLEJNTGLCFIEGJ-AEFFLSMTSA-N 2 2 381.549 3.544 20 0 GHADLP C[C@@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000878384854 894246417 /nfs/dbraw/zinc/24/64/17/894246417.db2.gz RLEJNTGLCFIEGJ-AEFFLSMTSA-N 2 2 381.549 3.544 20 0 GHADLP CC(C)[C@@H](CCc1ccccc1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645398762 913875611 /nfs/dbraw/zinc/87/56/11/913875611.db2.gz LLMVYGRXQAKGCD-DHIUTWEWSA-N 2 2 385.596 3.518 20 0 GHADLP CC(C)[C@@H](CCc1ccccc1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645398762 913875628 /nfs/dbraw/zinc/87/56/28/913875628.db2.gz LLMVYGRXQAKGCD-DHIUTWEWSA-N 2 2 385.596 3.518 20 0 GHADLP CC(C)[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC000537409189 894928079 /nfs/dbraw/zinc/92/80/79/894928079.db2.gz BRSSXLWQPSNYMU-PZJWPPBQSA-N 2 2 379.976 3.645 20 0 GHADLP CC1([NH+]2CCC2)CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000879381476 895021412 /nfs/dbraw/zinc/02/14/12/895021412.db2.gz CXTVJPGXYAGNQB-UHFFFAOYSA-N 2 2 393.535 3.979 20 0 GHADLP C[NH+]1CCN(C2CC[NH+](Cc3cc4cc(Cl)ccc4nc3Cl)CC2)CC1 ZINC000879595301 895159281 /nfs/dbraw/zinc/15/92/81/895159281.db2.gz XZMBGGOTOXFPDJ-UHFFFAOYSA-N 2 2 393.362 3.753 20 0 GHADLP COc1cccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cs2)c1OC ZINC000564662478 895164140 /nfs/dbraw/zinc/16/41/40/895164140.db2.gz ZIPQATPBKBRYFU-KFWWJZLASA-N 2 2 375.538 3.633 20 0 GHADLP COc1cccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cs2)c1OC ZINC000564662478 895164142 /nfs/dbraw/zinc/16/41/42/895164142.db2.gz ZIPQATPBKBRYFU-KFWWJZLASA-N 2 2 375.538 3.633 20 0 GHADLP COc1cc2cc[nH+]c(NC[C@@H]3CCC[N@H+](C)[C@H]3c3ccnn3C)c2cc1F ZINC000565443437 895630704 /nfs/dbraw/zinc/63/07/04/895630704.db2.gz JXTITNITUZPUKD-MGPUTAFESA-N 2 2 383.471 3.611 20 0 GHADLP COc1cc2cc[nH+]c(NC[C@@H]3CCC[N@@H+](C)[C@H]3c3ccnn3C)c2cc1F ZINC000565443437 895630709 /nfs/dbraw/zinc/63/07/09/895630709.db2.gz JXTITNITUZPUKD-MGPUTAFESA-N 2 2 383.471 3.611 20 0 GHADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)OCCc2ccccc21 ZINC000565448345 895633621 /nfs/dbraw/zinc/63/36/21/895633621.db2.gz APGMTOSRQAVIMX-WZONZLPQSA-N 2 2 377.488 3.638 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000565476076 895661621 /nfs/dbraw/zinc/66/16/21/895661621.db2.gz JKGHNYQQOUJFRV-FQEVSTJZSA-N 2 2 389.421 3.643 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000565519863 895696205 /nfs/dbraw/zinc/69/62/05/895696205.db2.gz BQCILVNBGQVFAM-WMLDXEAASA-N 2 2 399.457 3.909 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000565519863 895696213 /nfs/dbraw/zinc/69/62/13/895696213.db2.gz BQCILVNBGQVFAM-WMLDXEAASA-N 2 2 399.457 3.909 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C(C)=C\c3ccc(Cl)cc3)CC2)CC1 ZINC000817657405 895792027 /nfs/dbraw/zinc/79/20/27/895792027.db2.gz YMBQQPZIJAOXTL-ZCXUNETKSA-N 2 2 389.971 3.762 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C(C)=C\c3ccc(Cl)cc3)CC2)CC1 ZINC000817657405 895792045 /nfs/dbraw/zinc/79/20/45/895792045.db2.gz YMBQQPZIJAOXTL-ZCXUNETKSA-N 2 2 389.971 3.762 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000565773055 895868093 /nfs/dbraw/zinc/86/80/93/895868093.db2.gz HCNUDWRVEHSSLX-BBLUDWJGSA-N 2 2 389.902 3.677 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000565773055 895868101 /nfs/dbraw/zinc/86/81/01/895868101.db2.gz HCNUDWRVEHSSLX-BBLUDWJGSA-N 2 2 389.902 3.677 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000566216027 896177156 /nfs/dbraw/zinc/17/71/56/896177156.db2.gz IUHVLNDFOBIELV-NRFANRHFSA-N 2 2 398.572 3.767 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000566216027 896177162 /nfs/dbraw/zinc/17/71/62/896177162.db2.gz IUHVLNDFOBIELV-NRFANRHFSA-N 2 2 398.572 3.767 20 0 GHADLP C[C@H](OC[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000818979853 896298872 /nfs/dbraw/zinc/29/88/72/896298872.db2.gz BVJIQQGJEZKZCO-KKSFZXQISA-N 2 2 385.895 3.754 20 0 GHADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1C(F)(F)F ZINC000818980823 896300597 /nfs/dbraw/zinc/30/05/97/896300597.db2.gz OPLDHTITENPUOO-SFHVURJKSA-N 2 2 375.394 3.584 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000566562507 896380122 /nfs/dbraw/zinc/38/01/22/896380122.db2.gz PAVDALQBLFPBHI-UHFFFAOYSA-N 2 2 382.552 3.540 20 0 GHADLP O[C@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(Cl)c1 ZINC000819274962 896560839 /nfs/dbraw/zinc/56/08/39/896560839.db2.gz KFZNSZOREUOHMF-OFLPRAFFSA-N 2 2 376.850 3.768 20 0 GHADLP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000819864531 897022618 /nfs/dbraw/zinc/02/26/18/897022618.db2.gz ACEMJFSFSFFVCQ-OAQYLSRUSA-N 2 2 376.504 3.652 20 0 GHADLP Cn1nc2c(c1C[NH2+][C@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)CSCC2 ZINC000883112497 897292340 /nfs/dbraw/zinc/29/23/40/897292340.db2.gz NYYYRWFLPISHJJ-NRFANRHFSA-N 2 2 384.593 3.600 20 0 GHADLP Cn1nc2c(c1C[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)CSCC2 ZINC000883112497 897292353 /nfs/dbraw/zinc/29/23/53/897292353.db2.gz NYYYRWFLPISHJJ-NRFANRHFSA-N 2 2 384.593 3.600 20 0 GHADLP O[C@@H](C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000567691084 897339925 /nfs/dbraw/zinc/33/99/25/897339925.db2.gz OVYDJUCFFHTUSP-LJQANCHMSA-N 2 2 375.394 3.584 20 0 GHADLP COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)CCCC2 ZINC000883347150 897518197 /nfs/dbraw/zinc/51/81/97/897518197.db2.gz NBJFGGLGBDBZBQ-KRWDZBQOSA-N 2 2 375.538 3.779 20 0 GHADLP CC(C)c1ccc(-c2nc(C[N@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)cs2)cc1 ZINC000567986790 897524365 /nfs/dbraw/zinc/52/43/65/897524365.db2.gz DKOLORYHNFTZSX-FQEVSTJZSA-N 2 2 396.564 3.821 20 0 GHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000883386157 897548134 /nfs/dbraw/zinc/54/81/34/897548134.db2.gz APEVOOYBFCHHCF-CVDCTZTESA-N 3 2 378.520 3.916 20 0 GHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000883386742 897550598 /nfs/dbraw/zinc/55/05/98/897550598.db2.gz MDOVRUBDRAFUJH-DYESRHJHSA-N 2 2 376.460 3.932 20 0 GHADLP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)C2=O)cc1 ZINC000568304396 897725637 /nfs/dbraw/zinc/72/56/37/897725637.db2.gz MXWNHRWEBHZPNA-RJGXRXQPSA-N 2 2 377.532 3.521 20 0 GHADLP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)C2=O)cc1 ZINC000568304396 897725648 /nfs/dbraw/zinc/72/56/48/897725648.db2.gz MXWNHRWEBHZPNA-RJGXRXQPSA-N 2 2 377.532 3.521 20 0 GHADLP COCCOCc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000568328534 897744620 /nfs/dbraw/zinc/74/46/20/897744620.db2.gz ASCIZJHEYXDCAL-UHFFFAOYSA-N 2 2 382.548 3.946 20 0 GHADLP COCCOCc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000568328534 897744627 /nfs/dbraw/zinc/74/46/27/897744627.db2.gz ASCIZJHEYXDCAL-UHFFFAOYSA-N 2 2 382.548 3.946 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2c[nH+]ccc2Nc2ccccc2)C1 ZINC001136493186 898046527 /nfs/dbraw/zinc/04/65/27/898046527.db2.gz UIVMWDRFKRXEDE-NSHGMRRFSA-N 2 2 378.520 3.725 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2c[nH+]ccc2Nc2ccccc2)C1 ZINC001136493186 898046533 /nfs/dbraw/zinc/04/65/33/898046533.db2.gz UIVMWDRFKRXEDE-NSHGMRRFSA-N 2 2 378.520 3.725 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000103303288 898082590 /nfs/dbraw/zinc/08/25/90/898082590.db2.gz KOGGBDUTZMXPLQ-LJQANCHMSA-N 2 2 395.551 3.804 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000103303288 898082599 /nfs/dbraw/zinc/08/25/99/898082599.db2.gz KOGGBDUTZMXPLQ-LJQANCHMSA-N 2 2 395.551 3.804 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000568778262 898094733 /nfs/dbraw/zinc/09/47/33/898094733.db2.gz DXHYCAJBNHIFLA-LLVKDONJSA-N 2 2 378.263 3.766 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000568778262 898094747 /nfs/dbraw/zinc/09/47/47/898094747.db2.gz DXHYCAJBNHIFLA-LLVKDONJSA-N 2 2 378.263 3.766 20 0 GHADLP C[C@@H](CC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1)n1cc[nH+]c1 ZINC000568986905 898259915 /nfs/dbraw/zinc/25/99/15/898259915.db2.gz HLUOLVSFHDRLEK-MGPUTAFESA-N 2 2 390.478 3.844 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccnc(Cl)c3F)cc2)C[C@H](C)O1 ZINC000823624646 899140805 /nfs/dbraw/zinc/14/08/05/899140805.db2.gz CDCCJFVXWDBZDG-GASCZTMLSA-N 2 2 377.891 3.773 20 0 GHADLP Brc1cccc(-c2nc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cs2)c1 ZINC000570131278 899145384 /nfs/dbraw/zinc/14/53/84/899145384.db2.gz IVYKIPRPYVOLOS-ZDUSSCGKSA-N 2 2 389.322 3.943 20 0 GHADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1C ZINC000570155899 899165035 /nfs/dbraw/zinc/16/50/35/899165035.db2.gz TXOZBGQCFHZHTP-NZQKXSOJSA-N 2 2 397.563 3.562 20 0 GHADLP Cn1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(-c2cccnc2)n1 ZINC000119314818 899586572 /nfs/dbraw/zinc/58/65/72/899586572.db2.gz QFGXBOQTGGBZMZ-UHFFFAOYSA-N 2 2 375.520 3.579 20 0 GHADLP Cn1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(-c2cccnc2)n1 ZINC000119314818 899586578 /nfs/dbraw/zinc/58/65/78/899586578.db2.gz QFGXBOQTGGBZMZ-UHFFFAOYSA-N 2 2 375.520 3.579 20 0 GHADLP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC000824640076 899731795 /nfs/dbraw/zinc/73/17/95/899731795.db2.gz ZHZFFNVJHKDKCK-KRWDZBQOSA-N 2 2 397.350 3.874 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cncc(Cl)c1)C2 ZINC001136993023 899996965 /nfs/dbraw/zinc/99/69/65/899996965.db2.gz UXNAKYPHSUPNMB-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cncc(Cl)c1)C2 ZINC001136993023 899996973 /nfs/dbraw/zinc/99/69/73/899996973.db2.gz UXNAKYPHSUPNMB-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1cncc(Cl)c1)C2 ZINC001136993023 899996980 /nfs/dbraw/zinc/99/69/80/899996980.db2.gz UXNAKYPHSUPNMB-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1cncc(Cl)c1)C2 ZINC001136993023 899996985 /nfs/dbraw/zinc/99/69/85/899996985.db2.gz UXNAKYPHSUPNMB-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCCCC1 ZINC000825139311 900002098 /nfs/dbraw/zinc/00/20/98/900002098.db2.gz DQLHKOJWGKDGOS-OAQYLSRUSA-N 2 2 382.556 3.780 20 0 GHADLP COc1ncc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1C ZINC001137005017 900030069 /nfs/dbraw/zinc/03/00/69/900030069.db2.gz VYHRRCIOFIDARA-UHFFFAOYSA-N 2 2 382.895 3.922 20 0 GHADLP [NH3+][C@@H]1CCc2c3ccccc3n(-c3ncnc4c3C[N@H+](Cc3ccccc3)C4)c2C1 ZINC001171091801 900207074 /nfs/dbraw/zinc/20/70/74/900207074.db2.gz VORULVYFTWVLHI-GOSISDBHSA-N 2 2 395.510 3.752 20 0 GHADLP [NH3+][C@@H]1CCc2c3ccccc3n(-c3ncnc4c3C[N@@H+](Cc3ccccc3)C4)c2C1 ZINC001171091801 900207089 /nfs/dbraw/zinc/20/70/89/900207089.db2.gz VORULVYFTWVLHI-GOSISDBHSA-N 2 2 395.510 3.752 20 0 GHADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000573154927 900400416 /nfs/dbraw/zinc/40/04/16/900400416.db2.gz VSIXZJXBZKJHJQ-UHFFFAOYSA-N 2 2 388.943 3.927 20 0 GHADLP [NH3+][C@H]1CCc2c3ccccc3n(-c3c(Br)ccc4[nH+]ccn43)c2C1 ZINC001171100055 900455758 /nfs/dbraw/zinc/45/57/58/900455758.db2.gz RHZUKECTLRVTBZ-LBPRGKRZSA-N 2 2 381.277 3.857 20 0 GHADLP C[N@H+](Cc1ccc(OCC(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645185 901504354 /nfs/dbraw/zinc/50/43/54/901504354.db2.gz XFOKUJMSWPHIHB-UHFFFAOYSA-N 2 2 389.490 3.864 20 0 GHADLP C[N@@H+](Cc1ccc(OCC(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645185 901504362 /nfs/dbraw/zinc/50/43/62/901504362.db2.gz XFOKUJMSWPHIHB-UHFFFAOYSA-N 2 2 389.490 3.864 20 0 GHADLP CCC1([NH+]2CCC2)CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000887199502 901551396 /nfs/dbraw/zinc/55/13/96/901551396.db2.gz BOHCOAALOWRUJK-UHFFFAOYSA-N 2 2 391.585 3.611 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(O)cc1C(F)(F)F)C2 ZINC001144386851 901977540 /nfs/dbraw/zinc/97/75/40/901977540.db2.gz FYCPCWQYMFWNDI-XLIONFOSSA-N 2 2 398.469 3.591 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(O)cc1C(F)(F)F)C2 ZINC001144386851 901977551 /nfs/dbraw/zinc/97/75/51/901977551.db2.gz FYCPCWQYMFWNDI-XLIONFOSSA-N 2 2 398.469 3.591 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(O)cc1C(F)(F)F)C2 ZINC001144386851 901977559 /nfs/dbraw/zinc/97/75/59/901977559.db2.gz FYCPCWQYMFWNDI-XLIONFOSSA-N 2 2 398.469 3.591 20 0 GHADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(O)cc1C(F)(F)F)C2 ZINC001144386851 901977569 /nfs/dbraw/zinc/97/75/69/901977569.db2.gz FYCPCWQYMFWNDI-XLIONFOSSA-N 2 2 398.469 3.591 20 0 GHADLP CCCn1cc(C[N@H+]2CCCN(Cc3[nH+]c(C(C)C)n4ccccc34)CC2)cn1 ZINC000576469623 902038793 /nfs/dbraw/zinc/03/87/93/902038793.db2.gz CAAMACDNVSGPMI-UHFFFAOYSA-N 2 2 394.567 3.772 20 0 GHADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)C2)C1 ZINC000333571972 902198458 /nfs/dbraw/zinc/19/84/58/902198458.db2.gz YEWHWLGZKPHFHJ-QHCPKHFHSA-N 2 2 391.519 3.551 20 0 GHADLP C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)C2)C1 ZINC000333571972 902198464 /nfs/dbraw/zinc/19/84/64/902198464.db2.gz YEWHWLGZKPHFHJ-QHCPKHFHSA-N 2 2 391.519 3.551 20 0 GHADLP C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000264044343 902800046 /nfs/dbraw/zinc/80/00/46/902800046.db2.gz CQSZUHLCIDLFJK-UHFFFAOYSA-N 2 2 389.503 3.690 20 0 GHADLP CC(C)Cc1ccc([C@H](C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000129602984 902830937 /nfs/dbraw/zinc/83/09/37/902830937.db2.gz PAOOUAZEODLMRC-IBGZPJMESA-N 2 2 385.596 3.663 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000577596933 902933975 /nfs/dbraw/zinc/93/39/75/902933975.db2.gz ZWNZBTDTBQVSPS-SVFBPWRDSA-N 2 2 382.552 3.806 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000577596933 902933980 /nfs/dbraw/zinc/93/39/80/902933980.db2.gz ZWNZBTDTBQVSPS-SVFBPWRDSA-N 2 2 382.552 3.806 20 0 GHADLP Cc1ccsc1CNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000577709295 903086790 /nfs/dbraw/zinc/08/67/90/903086790.db2.gz JTCATTOZGWLFLV-FQEVSTJZSA-N 2 2 385.577 3.563 20 0 GHADLP Cc1ccsc1CNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000577709295 903086801 /nfs/dbraw/zinc/08/68/01/903086801.db2.gz JTCATTOZGWLFLV-FQEVSTJZSA-N 2 2 385.577 3.563 20 0 GHADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000577802340 903211940 /nfs/dbraw/zinc/21/19/40/903211940.db2.gz SVCCSZAWXCHLPJ-FQEVSTJZSA-N 2 2 386.927 3.939 20 0 GHADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000577802340 903211949 /nfs/dbraw/zinc/21/19/49/903211949.db2.gz SVCCSZAWXCHLPJ-FQEVSTJZSA-N 2 2 386.927 3.939 20 0 GHADLP CN(C(=O)CCCc1ccc(C2CC2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001145065011 903424709 /nfs/dbraw/zinc/42/47/09/903424709.db2.gz JAHXJZVDPLGWSV-QHCPKHFHSA-N 2 2 383.580 3.514 20 0 GHADLP CN(C(=O)CCCc1ccc(C2CC2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001145065011 903424713 /nfs/dbraw/zinc/42/47/13/903424713.db2.gz JAHXJZVDPLGWSV-QHCPKHFHSA-N 2 2 383.580 3.514 20 0 GHADLP CC(C)(C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000127033075 903577610 /nfs/dbraw/zinc/57/76/10/903577610.db2.gz OWSFTHHUJLVAHR-UHFFFAOYSA-N 2 2 397.544 3.511 20 0 GHADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000578178158 903590113 /nfs/dbraw/zinc/59/01/13/903590113.db2.gz DNMBSNVPVIGTMA-RBUKOAKNSA-N 2 2 381.520 3.808 20 0 GHADLP O=C(CC[NH2+][C@H]1CCn2cc[nH+]c2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000578187692 903598072 /nfs/dbraw/zinc/59/80/72/903598072.db2.gz QUMOLCFOCOBVCT-SFHVURJKSA-N 2 2 376.460 3.609 20 0 GHADLP COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C1)CC2 ZINC001171310896 903824622 /nfs/dbraw/zinc/82/46/22/903824622.db2.gz LGAFQJCSBBAKCA-ZIFCJYIRSA-N 2 2 397.950 3.665 20 0 GHADLP COc1ccc(Cl)c2c1C[C@H]([N@@H+]1C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C1)CC2 ZINC001171310896 903824627 /nfs/dbraw/zinc/82/46/27/903824627.db2.gz LGAFQJCSBBAKCA-ZIFCJYIRSA-N 2 2 397.950 3.665 20 0 GHADLP COc1ccc(Cl)c2c1C[C@H]([NH+]1C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C1)CC2 ZINC001171310896 903824635 /nfs/dbraw/zinc/82/46/35/903824635.db2.gz LGAFQJCSBBAKCA-ZIFCJYIRSA-N 2 2 397.950 3.665 20 0 GHADLP COc1ccc(Cl)c2c1C[C@H]([NH+]1C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C1)CC2 ZINC001171310896 903824644 /nfs/dbraw/zinc/82/46/44/903824644.db2.gz LGAFQJCSBBAKCA-ZIFCJYIRSA-N 2 2 397.950 3.665 20 0 GHADLP C[NH+](C)C1(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)Cc2ccccc2C1 ZINC000779070756 903867896 /nfs/dbraw/zinc/86/78/96/903867896.db2.gz BBZZDTARONHATA-UHFFFAOYSA-N 2 2 387.568 3.511 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000151691820 904180726 /nfs/dbraw/zinc/18/07/26/904180726.db2.gz AHZMNZQPCXYNDQ-LSDHHAIUSA-N 2 2 387.480 3.827 20 0 GHADLP C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151691697 904180824 /nfs/dbraw/zinc/18/08/24/904180824.db2.gz AHZMNZQPCXYNDQ-GJZGRUSLSA-N 2 2 387.480 3.827 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCOC4(CCSCC4)C3)CC2)cc1 ZINC000773069970 904410854 /nfs/dbraw/zinc/41/08/54/904410854.db2.gz DCEGBOCIKAGJKD-IBGZPJMESA-N 2 2 389.609 3.756 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)C2)C1 ZINC001171534237 904760264 /nfs/dbraw/zinc/76/02/64/904760264.db2.gz FOIKAOYATFKIJR-VGOFRKELSA-N 2 2 396.497 3.784 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)C2)C1 ZINC001171534237 904760275 /nfs/dbraw/zinc/76/02/75/904760275.db2.gz FOIKAOYATFKIJR-VGOFRKELSA-N 2 2 396.497 3.784 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)C2)C1 ZINC001171534237 904760282 /nfs/dbraw/zinc/76/02/82/904760282.db2.gz FOIKAOYATFKIJR-VGOFRKELSA-N 2 2 396.497 3.784 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)C2)C1 ZINC001171534237 904760295 /nfs/dbraw/zinc/76/02/95/904760295.db2.gz FOIKAOYATFKIJR-VGOFRKELSA-N 2 2 396.497 3.784 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1nccn1CC(F)(F)F ZINC000174452719 905275204 /nfs/dbraw/zinc/27/52/04/905275204.db2.gz ANKHQPCXHGBTSU-UHFFFAOYSA-N 2 2 392.425 3.960 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1nccn1CC(F)(F)F ZINC000174452719 905275219 /nfs/dbraw/zinc/27/52/19/905275219.db2.gz ANKHQPCXHGBTSU-UHFFFAOYSA-N 2 2 392.425 3.960 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCN(c4cccnc4)CC2)C3)cc1 ZINC001172068715 905339484 /nfs/dbraw/zinc/33/94/84/905339484.db2.gz KAEKIQNPBADSAO-FIDNPTQWSA-N 2 2 376.548 3.789 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCN(c4cccnc4)CC2)C3)cc1 ZINC001172068715 905339494 /nfs/dbraw/zinc/33/94/94/905339494.db2.gz KAEKIQNPBADSAO-FIDNPTQWSA-N 2 2 376.548 3.789 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@@H]2CSc3ccccc3C2)cs1 ZINC001172183095 905386409 /nfs/dbraw/zinc/38/64/09/905386409.db2.gz BREPBABVLVJSFP-HNNXBMFYSA-N 2 2 379.620 3.745 20 0 GHADLP CCCCCC[C@@H](CCC)[N@@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001172387608 905545737 /nfs/dbraw/zinc/54/57/37/905545737.db2.gz SHACMRCVPJTBDP-OAQYLSRUSA-N 2 2 375.605 3.585 20 0 GHADLP CCCCCC[C@@H](CCC)[N@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001172387608 905545743 /nfs/dbraw/zinc/54/57/43/905545743.db2.gz SHACMRCVPJTBDP-OAQYLSRUSA-N 2 2 375.605 3.585 20 0 GHADLP O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([NH2+]Cc3ccc4[nH+]ccn4c3)CC[C@H]2C1 ZINC001172534615 905639510 /nfs/dbraw/zinc/63/95/10/905639510.db2.gz OOEDZJJYTUXBNZ-FKBYEOEOSA-N 2 2 388.515 3.755 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]CC2C[NH+](C)C2)CCN1C(=O)OC(C)(C)C ZINC001172607056 905666736 /nfs/dbraw/zinc/66/67/36/905666736.db2.gz TVMADPFXPOJQNN-QUCCMNQESA-N 2 2 391.531 3.726 20 0 GHADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172954258 906058736 /nfs/dbraw/zinc/05/87/36/906058736.db2.gz MHBVLKPEDBSLAP-BZSNNMDCSA-N 2 2 376.545 3.803 20 0 GHADLP c1csc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCC5(CCOCC5)CC4)CC[C@H]32)n1 ZINC001173048763 906120202 /nfs/dbraw/zinc/12/02/02/906120202.db2.gz ZVRGRXIRXVJKNT-IEBWSBKVSA-N 2 2 375.582 3.779 20 0 GHADLP c1csc(C[N@H+]2CC[C@@H]3C[NH+](C4CCC5(CCOCC5)CC4)CC[C@H]32)n1 ZINC001173048763 906120214 /nfs/dbraw/zinc/12/02/14/906120214.db2.gz ZVRGRXIRXVJKNT-IEBWSBKVSA-N 2 2 375.582 3.779 20 0 GHADLP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCC5(CCOCC5)CC4)CC[C@H]32)n1 ZINC001173048763 906120221 /nfs/dbraw/zinc/12/02/21/906120221.db2.gz ZVRGRXIRXVJKNT-IEBWSBKVSA-N 2 2 375.582 3.779 20 0 GHADLP c1csc(C[NH+]2CC[C@@H]3C[N@H+](C4CCC5(CCOCC5)CC4)CC[C@H]32)n1 ZINC001173048763 906120229 /nfs/dbraw/zinc/12/02/29/906120229.db2.gz ZVRGRXIRXVJKNT-IEBWSBKVSA-N 2 2 375.582 3.779 20 0 GHADLP CC[NH+](CC)C1CCC([NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)CC1 ZINC001173110057 906197435 /nfs/dbraw/zinc/19/74/35/906197435.db2.gz GVLOFZJCBNYSOY-UHFFFAOYSA-N 3 2 387.616 3.504 20 0 GHADLP CC[NH+](CC)C1CCC([NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)CC1 ZINC001173110057 906197445 /nfs/dbraw/zinc/19/74/45/906197445.db2.gz GVLOFZJCBNYSOY-UHFFFAOYSA-N 3 2 387.616 3.504 20 0 GHADLP CCc1ccc(C[C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001173236640 906346569 /nfs/dbraw/zinc/34/65/69/906346569.db2.gz BFEVBVGUHPYARH-HXUWFJFHSA-N 2 2 382.548 3.681 20 0 GHADLP NC(=O)C1([NH2+][C@@H]2CCCC3(CCCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001173341613 906380969 /nfs/dbraw/zinc/38/09/69/906380969.db2.gz NZQFIXIYSNULDI-OAQYLSRUSA-N 2 2 383.580 3.989 20 0 GHADLP Cc1ccc2oc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2n1 ZINC000178876829 906396037 /nfs/dbraw/zinc/39/60/37/906396037.db2.gz NIMUTEGQAMYOBZ-VQTJNVASSA-N 2 2 398.551 3.545 20 0 GHADLP Cc1ccc2oc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2n1 ZINC000178876829 906396050 /nfs/dbraw/zinc/39/60/50/906396050.db2.gz NIMUTEGQAMYOBZ-VQTJNVASSA-N 2 2 398.551 3.545 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)cc1 ZINC001173720671 906670883 /nfs/dbraw/zinc/67/08/83/906670883.db2.gz HCOYWOFNAIZLSI-ZWKOTPCHSA-N 2 2 398.551 3.518 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)cc1 ZINC001173720671 906670887 /nfs/dbraw/zinc/67/08/87/906670887.db2.gz HCOYWOFNAIZLSI-ZWKOTPCHSA-N 2 2 398.551 3.518 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)cc1 ZINC001173720671 906670890 /nfs/dbraw/zinc/67/08/90/906670890.db2.gz HCOYWOFNAIZLSI-ZWKOTPCHSA-N 2 2 398.551 3.518 20 0 GHADLP COC(=O)c1ccc(C[C@H](C)[NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)cc1 ZINC001173720671 906670892 /nfs/dbraw/zinc/67/08/92/906670892.db2.gz HCOYWOFNAIZLSI-ZWKOTPCHSA-N 2 2 398.551 3.518 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000629531151 906857251 /nfs/dbraw/zinc/85/72/51/906857251.db2.gz BIXDBGOWNIXGLS-IVMMDQJWSA-N 2 2 385.371 3.733 20 0 GHADLP Cc1nc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)oc1-c1ccc(Cl)cc1 ZINC000180927788 906877815 /nfs/dbraw/zinc/87/78/15/906877815.db2.gz WTIDNGLBFJWOQE-UHFFFAOYSA-N 2 2 390.959 3.761 20 0 GHADLP Cc1nc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)oc1-c1ccc(Cl)cc1 ZINC000180927788 906877829 /nfs/dbraw/zinc/87/78/29/906877829.db2.gz WTIDNGLBFJWOQE-UHFFFAOYSA-N 2 2 390.959 3.761 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(C)cccc2C(C)C)[C@H](C)C1 ZINC000187026298 908022106 /nfs/dbraw/zinc/02/21/06/908022106.db2.gz YLKDEEYYRDAPRI-CTNGQTDRSA-N 2 2 389.584 3.784 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(C)cccc2C(C)C)[C@H](C)C1 ZINC000187026298 908022124 /nfs/dbraw/zinc/02/21/24/908022124.db2.gz YLKDEEYYRDAPRI-CTNGQTDRSA-N 2 2 389.584 3.784 20 0 GHADLP O=C(CCn1cc[nH+]c1)N(Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001176877575 908284653 /nfs/dbraw/zinc/28/46/53/908284653.db2.gz GYAIEKFNTJBGGN-QHCPKHFHSA-N 2 2 388.515 3.577 20 0 GHADLP O=C(CCn1cc[nH+]c1)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001176877575 908284664 /nfs/dbraw/zinc/28/46/64/908284664.db2.gz GYAIEKFNTJBGGN-QHCPKHFHSA-N 2 2 388.515 3.577 20 0 GHADLP CC(C)c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000189202085 908296135 /nfs/dbraw/zinc/29/61/35/908296135.db2.gz RQRFQVWTEOCVEZ-UHFFFAOYSA-N 2 2 377.960 3.752 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC001176991226 908351212 /nfs/dbraw/zinc/35/12/12/908351212.db2.gz QZCOHELETRIQMR-IEBWSBKVSA-N 2 2 382.508 3.843 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC001176991226 908351224 /nfs/dbraw/zinc/35/12/24/908351224.db2.gz QZCOHELETRIQMR-IEBWSBKVSA-N 2 2 382.508 3.843 20 0 GHADLP C[C@H]1CCC[N@H+](CCNC2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC001177261590 908505671 /nfs/dbraw/zinc/50/56/71/908505671.db2.gz HJGLEIFGIIGTER-KRWDZBQOSA-N 2 2 394.401 3.735 20 0 GHADLP C[C@H]1CCC[N@@H+](CCNC2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC001177261590 908505684 /nfs/dbraw/zinc/50/56/84/908505684.db2.gz HJGLEIFGIIGTER-KRWDZBQOSA-N 2 2 394.401 3.735 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccnc(OCC4CC4)c3)CC2)cc1 ZINC001177673863 908690535 /nfs/dbraw/zinc/69/05/35/908690535.db2.gz ANRXBPKJFJSMCC-UHFFFAOYSA-N 2 2 383.511 3.806 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC001177911854 908798366 /nfs/dbraw/zinc/79/83/66/908798366.db2.gz LJKOFCQAFJTXAH-SIKLNZKXSA-N 2 2 395.934 3.861 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC001177911854 908798378 /nfs/dbraw/zinc/79/83/78/908798378.db2.gz LJKOFCQAFJTXAH-SIKLNZKXSA-N 2 2 395.934 3.861 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(Cl)s1 ZINC000268832418 910038056 /nfs/dbraw/zinc/03/80/56/910038056.db2.gz RBEJZYDZKNTUJM-CQSZACIVSA-N 2 2 377.941 3.640 20 0 GHADLP C[NH+]1CCC(N2CCC([NH2+][C@H]3CC[N@H+](C4CC4)[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000638460570 910157743 /nfs/dbraw/zinc/15/77/43/910157743.db2.gz ZBLWWMZUIVMHCW-WIOPSUGQSA-N 3 2 396.623 3.503 20 0 GHADLP C[NH+]1CCC(N2CCC([NH2+][C@H]3CC[N@@H+](C4CC4)[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000638460570 910157750 /nfs/dbraw/zinc/15/77/50/910157750.db2.gz ZBLWWMZUIVMHCW-WIOPSUGQSA-N 3 2 396.623 3.503 20 0 GHADLP Cn1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c(C(F)(F)F)n1 ZINC000638790578 910238027 /nfs/dbraw/zinc/23/80/27/910238027.db2.gz IZTBPMVUYAUTLN-WMZOPIPTSA-N 2 2 378.442 3.897 20 0 GHADLP Cn1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c(C(F)(F)F)n1 ZINC000638790578 910238036 /nfs/dbraw/zinc/23/80/36/910238036.db2.gz IZTBPMVUYAUTLN-WMZOPIPTSA-N 2 2 378.442 3.897 20 0 GHADLP Cn1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c(C(F)(F)F)n1 ZINC000638790576 910238211 /nfs/dbraw/zinc/23/82/11/910238211.db2.gz IZTBPMVUYAUTLN-FUHWJXTLSA-N 2 2 378.442 3.897 20 0 GHADLP Cn1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c(C(F)(F)F)n1 ZINC000638790576 910238222 /nfs/dbraw/zinc/23/82/22/910238222.db2.gz IZTBPMVUYAUTLN-FUHWJXTLSA-N 2 2 378.442 3.897 20 0 GHADLP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639346440 910395276 /nfs/dbraw/zinc/39/52/76/910395276.db2.gz RABPQEKGEQHFQK-YJBOKZPZSA-N 2 2 378.442 3.897 20 0 GHADLP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639346440 910395289 /nfs/dbraw/zinc/39/52/89/910395289.db2.gz RABPQEKGEQHFQK-YJBOKZPZSA-N 2 2 378.442 3.897 20 0 GHADLP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000639660897 910596466 /nfs/dbraw/zinc/59/64/66/910596466.db2.gz WJIFIKNEDMHWGN-QUCCMNQESA-N 2 2 399.539 3.546 20 0 GHADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000639660896 910596860 /nfs/dbraw/zinc/59/68/60/910596860.db2.gz WJIFIKNEDMHWGN-ICSRJNTNSA-N 2 2 399.539 3.546 20 0 GHADLP C[NH+]1CCC2(CC[N@H+](Cc3nc(=O)c4c(-c5ccco5)csc4[nH]3)C2)CC1 ZINC000639756684 910647109 /nfs/dbraw/zinc/64/71/09/910647109.db2.gz BRVLQFJRDZEOTD-UHFFFAOYSA-N 2 2 384.505 3.575 20 0 GHADLP CC(C)(C)OC(=O)NC1CC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC001182034636 911138141 /nfs/dbraw/zinc/13/81/41/911138141.db2.gz USGNNGORLCRYPO-UHFFFAOYSA-N 2 2 376.888 3.671 20 0 GHADLP COC(=O)[C@H](C)Oc1ccc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)cc1 ZINC001182020509 911155796 /nfs/dbraw/zinc/15/57/96/911155796.db2.gz LCEFOMFBGPVHTQ-HNNXBMFYSA-N 2 2 399.878 3.756 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1Cl ZINC001182223232 911317660 /nfs/dbraw/zinc/31/76/60/911317660.db2.gz RPIWRQBZNJDVEH-PDOICOKGSA-N 2 2 377.960 3.854 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1Cl ZINC001182223232 911317680 /nfs/dbraw/zinc/31/76/80/911317680.db2.gz RPIWRQBZNJDVEH-PDOICOKGSA-N 2 2 377.960 3.854 20 0 GHADLP CC(C)(C)[C@@]1(C[NH2+]CCC(C)(C)S(C)(=O)=O)CC[N@H+](Cc2ccccc2)C1 ZINC001182408765 911593736 /nfs/dbraw/zinc/59/37/36/911593736.db2.gz GLHOTAMTJHNERG-JOCHJYFZSA-N 2 2 394.625 3.728 20 0 GHADLP CC(C)(C)[C@@]1(C[NH2+]CCC(C)(C)S(C)(=O)=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001182408765 911593741 /nfs/dbraw/zinc/59/37/41/911593741.db2.gz GLHOTAMTJHNERG-JOCHJYFZSA-N 2 2 394.625 3.728 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001182872917 912095088 /nfs/dbraw/zinc/09/50/88/912095088.db2.gz HVMUCBSLENGTED-HZPDHXFCSA-N 2 2 396.373 3.876 20 0 GHADLP COc1ccc(C[C@H](C)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1OC ZINC000291080058 914962002 /nfs/dbraw/zinc/96/20/02/914962002.db2.gz GLXMIKJFSORFLK-HNNXBMFYSA-N 2 2 388.474 3.889 20 0 GHADLP O=C1[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccccc1F ZINC000647182916 915073161 /nfs/dbraw/zinc/07/31/61/915073161.db2.gz ZSKREAIAHLJJMY-CTNGQTDRSA-N 2 2 393.506 3.718 20 0 GHADLP O=C1[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCN1c1ccccc1F ZINC000647182916 915073180 /nfs/dbraw/zinc/07/31/80/915073180.db2.gz ZSKREAIAHLJJMY-CTNGQTDRSA-N 2 2 393.506 3.718 20 0 GHADLP Cc1ccccc1-n1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cn1 ZINC000647196002 915079193 /nfs/dbraw/zinc/07/91/93/915079193.db2.gz LWSAJKYZVAVGFK-IBGZPJMESA-N 2 2 375.520 3.891 20 0 GHADLP CC(C)[NH2+]C1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000291284324 915079390 /nfs/dbraw/zinc/07/93/90/915079390.db2.gz IHPYIJALPRTILL-UHFFFAOYSA-N 2 2 381.524 3.881 20 0 GHADLP c1cn([C@H]2CCc3ccccc3[C@H]2[NH2+]Cc2cnnn2Cc2ccccc2)c[nH+]1 ZINC000292790055 915846788 /nfs/dbraw/zinc/84/67/88/915846788.db2.gz MFOMEWXBQOAIOF-XZOQPEGZSA-N 2 2 384.487 3.541 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000648791072 915882122 /nfs/dbraw/zinc/88/21/22/915882122.db2.gz OYYUCXQTUMYZBC-KURKYZTESA-N 2 2 384.524 3.645 20 0 GHADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000648791072 915882135 /nfs/dbraw/zinc/88/21/35/915882135.db2.gz OYYUCXQTUMYZBC-KURKYZTESA-N 2 2 384.524 3.645 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H](c3nnc[nH]3)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000293475424 916221958 /nfs/dbraw/zinc/22/19/58/916221958.db2.gz QUUXAYSTGXICNJ-KGVIQGDOSA-N 2 2 397.567 3.825 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H](c3nnc[nH]3)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000293475424 916221977 /nfs/dbraw/zinc/22/19/77/916221977.db2.gz QUUXAYSTGXICNJ-KGVIQGDOSA-N 2 2 397.567 3.825 20 0 GHADLP Fc1ccc([C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)c2nnc[nH]2)cc1 ZINC000293622981 916296333 /nfs/dbraw/zinc/29/63/33/916296333.db2.gz HCIKUYOQNLMZFP-LJQANCHMSA-N 2 2 385.512 3.597 20 0 GHADLP COc1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)cc1C[NH+]1CCCCC1 ZINC000775362690 917167724 /nfs/dbraw/zinc/16/77/24/917167724.db2.gz GPXLZJHPGHJCOX-JTSKRJEESA-N 2 2 381.520 3.558 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CCOCC1)c1ccccc1 ZINC000775396980 917395047 /nfs/dbraw/zinc/39/50/47/917395047.db2.gz ZMPJKRCXVQVWFG-MTFMMBMASA-N 2 2 392.634 3.856 20 0 GHADLP CC[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001191246486 917877742 /nfs/dbraw/zinc/87/77/42/917877742.db2.gz XITSNQFFPLACHU-VWLOTQADSA-N 2 2 393.575 3.788 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CCCCC2)[C@H](C)C1 ZINC001191601407 918091073 /nfs/dbraw/zinc/09/10/73/918091073.db2.gz NPNYHKWANCSOOD-IRLDBZIGSA-N 2 2 385.596 3.667 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CCCCC2)[C@H](C)C1 ZINC001191601407 918091090 /nfs/dbraw/zinc/09/10/90/918091090.db2.gz NPNYHKWANCSOOD-IRLDBZIGSA-N 2 2 385.596 3.667 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCC2(c3ccccc3)CCCCC2)[C@H](C)C1 ZINC001191601407 918091110 /nfs/dbraw/zinc/09/11/10/918091110.db2.gz NPNYHKWANCSOOD-IRLDBZIGSA-N 2 2 385.596 3.667 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCC2(c3ccccc3)CCCCC2)[C@H](C)C1 ZINC001191601407 918091132 /nfs/dbraw/zinc/09/11/32/918091132.db2.gz NPNYHKWANCSOOD-IRLDBZIGSA-N 2 2 385.596 3.667 20 0 GHADLP C[C@@H](c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1)C(F)(F)F ZINC000653354671 918228429 /nfs/dbraw/zinc/22/84/29/918228429.db2.gz OOAMIKNHGFOGNH-KXBFYZLASA-N 2 2 397.485 3.593 20 0 GHADLP C[C@@H](c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1)C(F)(F)F ZINC000653354671 918228444 /nfs/dbraw/zinc/22/84/44/918228444.db2.gz OOAMIKNHGFOGNH-KXBFYZLASA-N 2 2 397.485 3.593 20 0 GHADLP Cc1cccn2cc(CCNC(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)[nH+]c12 ZINC000653616559 918359231 /nfs/dbraw/zinc/35/92/31/918359231.db2.gz GRUMCNMLJVTUNQ-FQEVSTJZSA-N 2 2 377.492 3.556 20 0 GHADLP CCS(=O)(=O)CCCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000365068340 920353738 /nfs/dbraw/zinc/35/37/38/920353738.db2.gz WCGBNQGFFPZXGA-QFIPXVFZSA-N 2 2 392.609 3.580 20 0 GHADLP CCS(=O)(=O)CCCCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000365068340 920353750 /nfs/dbraw/zinc/35/37/50/920353750.db2.gz WCGBNQGFFPZXGA-QFIPXVFZSA-N 2 2 392.609 3.580 20 0 GHADLP CCS(=O)(=O)CCCCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000365068340 920353763 /nfs/dbraw/zinc/35/37/63/920353763.db2.gz WCGBNQGFFPZXGA-QFIPXVFZSA-N 2 2 392.609 3.580 20 0 GHADLP CCS(=O)(=O)CCCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000365068340 920353780 /nfs/dbraw/zinc/35/37/80/920353780.db2.gz WCGBNQGFFPZXGA-QFIPXVFZSA-N 2 2 392.609 3.580 20 0 GHADLP CC(C)CCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000365081713 920365734 /nfs/dbraw/zinc/36/57/34/920365734.db2.gz DHLKBGKXWZNYCK-UHFFFAOYSA-N 2 2 378.605 3.545 20 0 GHADLP Cc1ccc(-c2csc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)n2)cc1 ZINC000367545100 922185875 /nfs/dbraw/zinc/18/58/75/922185875.db2.gz SIRVLRFAMOVOOE-WIYYLYMNSA-N 2 2 384.593 3.576 20 0 GHADLP Cc1ccc(-c2csc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)n2)cc1 ZINC000367545100 922185878 /nfs/dbraw/zinc/18/58/78/922185878.db2.gz SIRVLRFAMOVOOE-WIYYLYMNSA-N 2 2 384.593 3.576 20 0 GHADLP c1cc([C@H]2CCC[NH+]2Cc2ccccc2C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)n[nH]1 ZINC000367558864 922200261 /nfs/dbraw/zinc/20/02/61/922200261.db2.gz GTQIZVWXUJCXGD-FGZHOGPDSA-N 2 2 376.508 3.807 20 0 GHADLP c1cc([C@H]2CCC[NH+]2Cc2ccccc2C[N@H+]2CCC[C@@H]2c2cc[nH]n2)n[nH]1 ZINC000367558864 922200267 /nfs/dbraw/zinc/20/02/67/922200267.db2.gz GTQIZVWXUJCXGD-FGZHOGPDSA-N 2 2 376.508 3.807 20 0 GHADLP c1nc(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)sc1C1OCCO1 ZINC000368018842 922428273 /nfs/dbraw/zinc/42/82/73/922428273.db2.gz QQJOGPNSISDDIG-FHWLQOOXSA-N 2 2 399.560 3.579 20 0 GHADLP c1nc(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)sc1C1OCCO1 ZINC000368018842 922428275 /nfs/dbraw/zinc/42/82/75/922428275.db2.gz QQJOGPNSISDDIG-FHWLQOOXSA-N 2 2 399.560 3.579 20 0 GHADLP C[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902757331 922471811 /nfs/dbraw/zinc/47/18/11/922471811.db2.gz QZZZVSKGYYNAQY-GOSISDBHSA-N 2 2 383.517 3.528 20 0 GHADLP C[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902802403 922506133 /nfs/dbraw/zinc/50/61/33/922506133.db2.gz NEFNWJPHHYSUKV-QGZVFWFLSA-N 2 2 378.476 3.676 20 0 GHADLP C[C@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903078205 922752847 /nfs/dbraw/zinc/75/28/47/922752847.db2.gz VOOKFPLGMSNGKX-KRWDZBQOSA-N 2 2 379.533 3.671 20 0 GHADLP O=C1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCN1c1ccccc1C(F)(F)F ZINC000903153564 922813747 /nfs/dbraw/zinc/81/37/47/922813747.db2.gz SSGUNGHLYCLMPY-NPVYPNSJSA-N 2 2 393.453 3.558 20 0 GHADLP O=C1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCN1c1ccccc1C(F)(F)F ZINC000903153564 922813751 /nfs/dbraw/zinc/81/37/51/922813751.db2.gz SSGUNGHLYCLMPY-NPVYPNSJSA-N 2 2 393.453 3.558 20 0 GHADLP c1nnc([C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc2)[nH]1 ZINC000903455223 923035692 /nfs/dbraw/zinc/03/56/92/923035692.db2.gz JTNNUOKDSZRUHR-WBADGQHESA-N 2 2 387.531 3.784 20 0 GHADLP c1nnc([C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc2)[nH]1 ZINC000903455223 923035705 /nfs/dbraw/zinc/03/57/05/923035705.db2.gz JTNNUOKDSZRUHR-WBADGQHESA-N 2 2 387.531 3.784 20 0 GHADLP CC[NH+](CC)CCOc1cccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000903458089 923037525 /nfs/dbraw/zinc/03/75/25/923037525.db2.gz OLEROMPNOUQRLQ-UHFFFAOYSA-N 2 2 385.512 3.542 20 0 GHADLP CC[NH+](CC)CCOc1cccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000903458089 923037540 /nfs/dbraw/zinc/03/75/40/923037540.db2.gz OLEROMPNOUQRLQ-UHFFFAOYSA-N 2 2 385.512 3.542 20 0 GHADLP CC[NH+](CC)CCOc1cccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000903458363 923039200 /nfs/dbraw/zinc/03/92/00/923039200.db2.gz XKKYBEFHNTWBSK-GHTZIAJQSA-N 2 2 399.539 3.719 20 0 GHADLP FC(F)(F)C1CC[NH+](C2CC(Nc3cc(N4CCCCC4)[nH+]cn3)C2)CC1 ZINC000369531642 923400708 /nfs/dbraw/zinc/40/07/08/923400708.db2.gz LHKLBTJWGQCCPH-UHFFFAOYSA-N 2 2 383.462 3.684 20 0 GHADLP FC(F)(F)C1CC[NH+](C2CC(Nc3cc(N4CCCCC4)nc[nH+]3)C2)CC1 ZINC000369531642 923400715 /nfs/dbraw/zinc/40/07/15/923400715.db2.gz LHKLBTJWGQCCPH-UHFFFAOYSA-N 2 2 383.462 3.684 20 0 GHADLP Cc1csc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1Cl ZINC001137289561 924327719 /nfs/dbraw/zinc/32/77/19/924327719.db2.gz HDPOAAIGGWHVPJ-UHFFFAOYSA-N 2 2 378.973 3.951 20 0 GHADLP Cc1csc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1Cl ZINC001137289561 924327727 /nfs/dbraw/zinc/32/77/27/924327727.db2.gz HDPOAAIGGWHVPJ-UHFFFAOYSA-N 2 2 378.973 3.951 20 0 GHADLP Cc1ccc2ncc(C[NH+]3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)n2c1 ZINC001137308904 924460940 /nfs/dbraw/zinc/46/09/40/924460940.db2.gz LZLXYKOXQHMITP-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccc2ncc(C[NH+]3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)n2c1 ZINC001137308904 924460943 /nfs/dbraw/zinc/46/09/43/924460943.db2.gz LZLXYKOXQHMITP-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccc2ncc(C[N@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)n2c1 ZINC001137308904 924460947 /nfs/dbraw/zinc/46/09/47/924460947.db2.gz LZLXYKOXQHMITP-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP Cc1ccc2ncc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)n2c1 ZINC001137308904 924460950 /nfs/dbraw/zinc/46/09/50/924460950.db2.gz LZLXYKOXQHMITP-PMOQBDJRSA-N 2 2 389.547 3.770 20 0 GHADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cccc(OCc4ccccc4F)c3)CC2)C1 ZINC000678259038 924692527 /nfs/dbraw/zinc/69/25/27/924692527.db2.gz WRZKVWOFUIXWCE-JOCHJYFZSA-N 2 2 397.538 3.617 20 0 GHADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cccc(OCc4ccccc4F)c3)CC2)C1 ZINC000678259038 924692537 /nfs/dbraw/zinc/69/25/37/924692537.db2.gz WRZKVWOFUIXWCE-JOCHJYFZSA-N 2 2 397.538 3.617 20 0 GHADLP Brc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]2CCCO2)cc1 ZINC000679330834 925096953 /nfs/dbraw/zinc/09/69/53/925096953.db2.gz UOVULOZKDPXLFZ-RBUKOAKNSA-N 2 2 379.342 3.886 20 0 GHADLP C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218171 925765166 /nfs/dbraw/zinc/76/51/66/925765166.db2.gz DRLMQHWVHPIUIL-RZFNWQHOSA-N 2 2 398.595 3.510 20 0 GHADLP C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218171 925765169 /nfs/dbraw/zinc/76/51/69/925765169.db2.gz DRLMQHWVHPIUIL-RZFNWQHOSA-N 2 2 398.595 3.510 20 0 GHADLP CN(C(=O)CCCCCc1ccc(F)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681730296 925895695 /nfs/dbraw/zinc/89/56/95/925895695.db2.gz NEFGUYXIUOKXKX-QFIPXVFZSA-N 2 2 389.559 3.556 20 0 GHADLP CN(C(=O)CCCCCc1ccc(F)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681730296 925895701 /nfs/dbraw/zinc/89/57/01/925895701.db2.gz NEFGUYXIUOKXKX-QFIPXVFZSA-N 2 2 389.559 3.556 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3OC)no2)[C@H](C)C1 ZINC000682535772 926155948 /nfs/dbraw/zinc/15/59/48/926155948.db2.gz IOYODQKGRNKGCV-XLIONFOSSA-N 2 2 387.524 3.577 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3OC)no2)[C@H](C)C1 ZINC000682535772 926155957 /nfs/dbraw/zinc/15/59/57/926155957.db2.gz IOYODQKGRNKGCV-XLIONFOSSA-N 2 2 387.524 3.577 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411470799 926428254 /nfs/dbraw/zinc/42/82/54/926428254.db2.gz CRLTVILNWDKYJR-UHFFFAOYSA-N 2 2 392.547 3.988 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCOc2cccc(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000411579945 926531777 /nfs/dbraw/zinc/53/17/77/926531777.db2.gz FJTGCBPZQLQFFB-LAUBAEHRSA-N 2 2 390.959 3.857 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCOc2cccc(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000411579945 926531783 /nfs/dbraw/zinc/53/17/83/926531783.db2.gz FJTGCBPZQLQFFB-LAUBAEHRSA-N 2 2 390.959 3.857 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCOc2cccc(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000411579945 926531792 /nfs/dbraw/zinc/53/17/92/926531792.db2.gz FJTGCBPZQLQFFB-LAUBAEHRSA-N 2 2 390.959 3.857 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCOc2cccc(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000411579945 926531801 /nfs/dbraw/zinc/53/18/01/926531801.db2.gz FJTGCBPZQLQFFB-LAUBAEHRSA-N 2 2 390.959 3.857 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)C1 ZINC000749479525 927127098 /nfs/dbraw/zinc/12/70/98/927127098.db2.gz DWUHEHOEWWUBTH-FQEVSTJZSA-N 2 2 382.508 3.846 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)C1 ZINC000749479525 927127106 /nfs/dbraw/zinc/12/71/06/927127106.db2.gz DWUHEHOEWWUBTH-FQEVSTJZSA-N 2 2 382.508 3.846 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000750402254 927605711 /nfs/dbraw/zinc/60/57/11/927605711.db2.gz ICGHLBPSKOWAMN-AZUAARDMSA-N 2 2 395.551 3.973 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000750402254 927605721 /nfs/dbraw/zinc/60/57/21/927605721.db2.gz ICGHLBPSKOWAMN-AZUAARDMSA-N 2 2 395.551 3.973 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000750402256 927605791 /nfs/dbraw/zinc/60/57/91/927605791.db2.gz ICGHLBPSKOWAMN-ICSRJNTNSA-N 2 2 395.551 3.973 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000750402256 927605796 /nfs/dbraw/zinc/60/57/96/927605796.db2.gz ICGHLBPSKOWAMN-ICSRJNTNSA-N 2 2 395.551 3.973 20 0 GHADLP C[C@@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000412692978 927739095 /nfs/dbraw/zinc/73/90/95/927739095.db2.gz FGMNHTSYZCWAAZ-GOSISDBHSA-N 2 2 391.515 3.841 20 0 GHADLP C[C@@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000412692978 927739102 /nfs/dbraw/zinc/73/91/02/927739102.db2.gz FGMNHTSYZCWAAZ-GOSISDBHSA-N 2 2 391.515 3.841 20 0 GHADLP FC1(c2cccnc2)CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000375361340 928213428 /nfs/dbraw/zinc/21/34/28/928213428.db2.gz JZXMHQYWGKUDNC-JOCHJYFZSA-N 2 2 383.511 3.633 20 0 GHADLP FC1(c2cccnc2)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000375361340 928213445 /nfs/dbraw/zinc/21/34/45/928213445.db2.gz JZXMHQYWGKUDNC-JOCHJYFZSA-N 2 2 383.511 3.633 20 0 GHADLP OC[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1C(F)(F)F ZINC000544181805 928897893 /nfs/dbraw/zinc/89/78/93/928897893.db2.gz WXXKTXUFVGIPIT-CQSZACIVSA-N 2 2 395.450 3.893 20 0 GHADLP C[N@@H+]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C2(CCCCC2)C1 ZINC000544223822 928951871 /nfs/dbraw/zinc/95/18/71/928951871.db2.gz SMOHJPLDDDOLCO-FQEVSTJZSA-N 2 2 398.595 3.970 20 0 GHADLP C[N@H+]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C2(CCCCC2)C1 ZINC000544223822 928951879 /nfs/dbraw/zinc/95/18/79/928951879.db2.gz SMOHJPLDDDOLCO-FQEVSTJZSA-N 2 2 398.595 3.970 20 0 GHADLP CN(C(=O)Nc1cccc(Cl)n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000752696322 928986416 /nfs/dbraw/zinc/98/64/16/928986416.db2.gz LRVHSEMKVVIRMI-IAGOWNOFSA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1cccc(Cl)n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000752696322 928986425 /nfs/dbraw/zinc/98/64/25/928986425.db2.gz LRVHSEMKVVIRMI-IAGOWNOFSA-N 2 2 393.963 3.536 20 0 GHADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC000467387111 929026055 /nfs/dbraw/zinc/02/60/55/929026055.db2.gz DXPIHBMHUXVPMJ-JOCHJYFZSA-N 2 2 394.003 3.551 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3c(C)cc(Br)cn23)[C@@H](C)C1 ZINC000544347061 929077184 /nfs/dbraw/zinc/07/71/84/929077184.db2.gz CLHFHRCVJPLARF-YOEHRIQHSA-N 2 2 379.346 3.567 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3c(C)cc(Br)cn23)[C@@H](C)C1 ZINC000544347061 929077188 /nfs/dbraw/zinc/07/71/88/929077188.db2.gz CLHFHRCVJPLARF-YOEHRIQHSA-N 2 2 379.346 3.567 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc3c(C)cc(Br)cn23)[C@@H](C)C1 ZINC000544347061 929077199 /nfs/dbraw/zinc/07/71/99/929077199.db2.gz CLHFHRCVJPLARF-YOEHRIQHSA-N 2 2 379.346 3.567 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc3c(C)cc(Br)cn23)[C@@H](C)C1 ZINC000544347061 929077206 /nfs/dbraw/zinc/07/72/06/929077206.db2.gz CLHFHRCVJPLARF-YOEHRIQHSA-N 2 2 379.346 3.567 20 0 GHADLP CCCC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000467840555 929494474 /nfs/dbraw/zinc/49/44/74/929494474.db2.gz IFHUDTJYERGUPH-NRFANRHFSA-N 2 2 380.536 3.641 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2Oc2cccc(C)c2)CC1 ZINC000545916948 929673758 /nfs/dbraw/zinc/67/37/58/929673758.db2.gz XJGUPKBAPNEOOD-FGZHOGPDSA-N 2 2 388.552 3.692 20 0 GHADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(Br)c3OC(F)F)C[C@@H]21 ZINC000469892452 930238920 /nfs/dbraw/zinc/23/89/20/930238920.db2.gz ZFQXTFYCHDNJJC-SCDSUCTJSA-N 2 2 375.257 3.610 20 0 GHADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(Br)c3OC(F)F)C[C@@H]21 ZINC000469892452 930238929 /nfs/dbraw/zinc/23/89/29/930238929.db2.gz ZFQXTFYCHDNJJC-SCDSUCTJSA-N 2 2 375.257 3.610 20 0 GHADLP CSc1ccccc1C[N@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000471031283 931106787 /nfs/dbraw/zinc/10/67/87/931106787.db2.gz WVKZMRIMBLMBLV-RXVVDRJESA-N 2 2 397.588 3.620 20 0 GHADLP CSc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000471031283 931106792 /nfs/dbraw/zinc/10/67/92/931106792.db2.gz WVKZMRIMBLMBLV-RXVVDRJESA-N 2 2 397.588 3.620 20 0 GHADLP CSc1ccccc1C[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471031283 931106796 /nfs/dbraw/zinc/10/67/96/931106796.db2.gz WVKZMRIMBLMBLV-RXVVDRJESA-N 2 2 397.588 3.620 20 0 GHADLP CSc1ccccc1C[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471031283 931106798 /nfs/dbraw/zinc/10/67/98/931106798.db2.gz WVKZMRIMBLMBLV-RXVVDRJESA-N 2 2 397.588 3.620 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](c3ccccc3)C3CCOCC3)[nH+]c2)C1 ZINC000782775946 931332785 /nfs/dbraw/zinc/33/27/85/931332785.db2.gz KDIQVAJLBZCDKU-FYYLOGMGSA-N 2 2 380.536 3.802 20 0 GHADLP CC[N@H+](C)[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1 ZINC000557456762 931441705 /nfs/dbraw/zinc/44/17/05/931441705.db2.gz GIDPKDLVVNETDS-GGAORHGYSA-N 2 2 391.515 3.920 20 0 GHADLP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1 ZINC000557456762 931441713 /nfs/dbraw/zinc/44/17/13/931441713.db2.gz GIDPKDLVVNETDS-GGAORHGYSA-N 2 2 391.515 3.920 20 0 GHADLP OC1CC[NH+](CCC[NH2+][C@@H](Cc2cccc(F)c2Cl)c2ccco2)CC1 ZINC000924757213 931526124 /nfs/dbraw/zinc/52/61/24/931526124.db2.gz RPOVCGJQNWUTES-SFHVURJKSA-N 2 2 380.891 3.792 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1)C(C)C ZINC000557714253 931626946 /nfs/dbraw/zinc/62/69/46/931626946.db2.gz KGDOJHQAAHVOLV-UHFFFAOYSA-N 2 2 377.492 3.809 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1)C(C)C ZINC000557714253 931626948 /nfs/dbraw/zinc/62/69/48/931626948.db2.gz KGDOJHQAAHVOLV-UHFFFAOYSA-N 2 2 377.492 3.809 20 0 GHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000925180647 931692811 /nfs/dbraw/zinc/69/28/11/931692811.db2.gz RMNQRONAFZJTDF-HOJAQTOUSA-N 2 2 398.551 3.987 20 0 GHADLP Cc1cc(C)cc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2cccnc2)c1 ZINC000925555272 931821327 /nfs/dbraw/zinc/82/13/27/931821327.db2.gz GCNURNVGUXEQMT-KMDXXIMOSA-N 2 2 379.548 3.755 20 0 GHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CCOCC1 ZINC000925836218 931918501 /nfs/dbraw/zinc/91/85/01/931918501.db2.gz IWVDSVQMGBEAIA-HSZRJFAPSA-N 3 2 381.564 3.737 20 0 GHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CCOCC1 ZINC000925836218 931918507 /nfs/dbraw/zinc/91/85/07/931918507.db2.gz IWVDSVQMGBEAIA-HSZRJFAPSA-N 3 2 381.564 3.737 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc2c(cc1Br)OCO2 ZINC000558418953 931992093 /nfs/dbraw/zinc/99/20/93/931992093.db2.gz LODYQQAMIYYDOL-UHFFFAOYSA-N 2 2 394.313 3.849 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2c(cc1Br)OCO2 ZINC000558418953 931992098 /nfs/dbraw/zinc/99/20/98/931992098.db2.gz LODYQQAMIYYDOL-UHFFFAOYSA-N 2 2 394.313 3.849 20 0 GHADLP Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2ccccn2)cc1 ZINC000926127267 932058045 /nfs/dbraw/zinc/05/80/45/932058045.db2.gz USADXWRVKDQXGY-UKILVPOCSA-N 2 2 387.527 3.836 20 0 GHADLP Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccn2)cc1 ZINC000926127267 932058046 /nfs/dbraw/zinc/05/80/46/932058046.db2.gz USADXWRVKDQXGY-UKILVPOCSA-N 2 2 387.527 3.836 20 0 GHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000796783703 932066740 /nfs/dbraw/zinc/06/67/40/932066740.db2.gz CTPZYHVXARNOLM-HNNXBMFYSA-N 2 2 380.492 3.919 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)cc1F ZINC000559283180 932576068 /nfs/dbraw/zinc/57/60/68/932576068.db2.gz OLZZXJOOIIGXSF-UHFFFAOYSA-N 2 2 391.918 3.667 20 0 GHADLP C[C@H](CCO)[N@@H+](Cc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560165581 933103485 /nfs/dbraw/zinc/10/34/85/933103485.db2.gz FNLLINNRWUFCDB-ZJSXRUAMSA-N 2 2 382.548 3.551 20 0 GHADLP C[C@H](CCO)[N@H+](Cc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560165581 933103486 /nfs/dbraw/zinc/10/34/86/933103486.db2.gz FNLLINNRWUFCDB-ZJSXRUAMSA-N 2 2 382.548 3.551 20 0 GHADLP C[C@H](CCO)[NH+](Cc1ccccc1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000560165581 933103488 /nfs/dbraw/zinc/10/34/88/933103488.db2.gz FNLLINNRWUFCDB-ZJSXRUAMSA-N 2 2 382.548 3.551 20 0 GHADLP C[C@H](CCO)[NH+](Cc1ccccc1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000560165581 933103491 /nfs/dbraw/zinc/10/34/91/933103491.db2.gz FNLLINNRWUFCDB-ZJSXRUAMSA-N 2 2 382.548 3.551 20 0 GHADLP COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(C)c1OC ZINC000560522043 933309568 /nfs/dbraw/zinc/30/95/68/933309568.db2.gz XDPQDTBZTNONJA-GOSISDBHSA-N 2 2 398.547 3.565 20 0 GHADLP CC(C)[C@@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)[NH+]1CCCCC1 ZINC000560595949 933371671 /nfs/dbraw/zinc/37/16/71/933371671.db2.gz OJRVOCYQEKPVJK-WMZOPIPTSA-N 2 2 378.586 3.824 20 0 GHADLP CC(C)[C@@H](C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)[NH+]1CCCCC1 ZINC000560595949 933371679 /nfs/dbraw/zinc/37/16/79/933371679.db2.gz OJRVOCYQEKPVJK-WMZOPIPTSA-N 2 2 378.586 3.824 20 0 GHADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)cc1 ZINC001116745044 933732499 /nfs/dbraw/zinc/73/24/99/933732499.db2.gz ZJXBWFRQEBEFBH-QFIPXVFZSA-N 2 2 380.536 3.917 20 0 GHADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)cc1 ZINC001116745044 933732502 /nfs/dbraw/zinc/73/25/02/933732502.db2.gz ZJXBWFRQEBEFBH-QFIPXVFZSA-N 2 2 380.536 3.917 20 0 GHADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000561380733 934098381 /nfs/dbraw/zinc/09/83/81/934098381.db2.gz BHLBOBRUXGHLMB-UHFFFAOYSA-N 2 2 375.476 3.565 20 0 GHADLP CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CC1 ZINC001123591696 935231698 /nfs/dbraw/zinc/23/16/98/935231698.db2.gz QPODQVLFYXDXFZ-LJQANCHMSA-N 2 2 389.588 3.649 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(C)c4ccccc34)C2)C1 ZINC001138014445 935928210 /nfs/dbraw/zinc/92/82/10/935928210.db2.gz NORLOYVFJXVGNY-DEOSSOPVSA-N 2 2 382.548 3.709 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(C)c4ccccc34)C2)C1 ZINC001138014445 935928211 /nfs/dbraw/zinc/92/82/11/935928211.db2.gz NORLOYVFJXVGNY-DEOSSOPVSA-N 2 2 382.548 3.709 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(C)c4ccccc34)C2)C1 ZINC001138014445 935928214 /nfs/dbraw/zinc/92/82/14/935928214.db2.gz NORLOYVFJXVGNY-DEOSSOPVSA-N 2 2 382.548 3.709 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(C)c4ccccc34)C2)C1 ZINC001138014445 935928215 /nfs/dbraw/zinc/92/82/15/935928215.db2.gz NORLOYVFJXVGNY-DEOSSOPVSA-N 2 2 382.548 3.709 20 0 GHADLP C[NH+]1C(C)(C)CC(Oc2n[nH]c3c2CC[N@@H+](Cc2ccccc2)C3)CC1(C)C ZINC001226705920 1032084621 /nfs/dbraw/zinc/08/46/21/1032084621.db2.gz JSLBHGIDRJJKKN-UHFFFAOYSA-N 2 2 382.552 3.998 20 0 GHADLP C[NH+]1C(C)(C)CC(Oc2n[nH]c3c2CC[N@H+](Cc2ccccc2)C3)CC1(C)C ZINC001226705920 1032084603 /nfs/dbraw/zinc/08/46/03/1032084603.db2.gz JSLBHGIDRJJKKN-UHFFFAOYSA-N 2 2 382.552 3.998 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000468383929 1015650858 /nfs/dbraw/zinc/65/08/58/1015650858.db2.gz KZBFETKGAAWEET-DBXWQHBBSA-N 2 2 397.588 3.837 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000468383929 1015650866 /nfs/dbraw/zinc/65/08/66/1015650866.db2.gz KZBFETKGAAWEET-DBXWQHBBSA-N 2 2 397.588 3.837 20 0 GHADLP C[C@H]1C[C@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)C[N@H+](Cc2ccccc2)C1 ZINC000468434572 1015704348 /nfs/dbraw/zinc/70/43/48/1015704348.db2.gz HYNKWFPAEJGZOI-UGKGYDQZSA-N 2 2 383.580 3.668 20 0 GHADLP C[C@H]1C[C@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000468434572 1015704352 /nfs/dbraw/zinc/70/43/52/1015704352.db2.gz HYNKWFPAEJGZOI-UGKGYDQZSA-N 2 2 383.580 3.668 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000545420829 1015860254 /nfs/dbraw/zinc/86/02/54/1015860254.db2.gz OQXZDUZVDMWYBW-IEBWSBKVSA-N 2 2 390.890 3.505 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000545420829 1015860256 /nfs/dbraw/zinc/86/02/56/1015860256.db2.gz OQXZDUZVDMWYBW-IEBWSBKVSA-N 2 2 390.890 3.505 20 0 GHADLP C[C@H](Cn1cc(Br)cn1)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000469087271 1016449554 /nfs/dbraw/zinc/44/95/54/1016449554.db2.gz VUPNPXUNVUMVER-HUUCEWRRSA-N 2 2 379.346 3.753 20 0 GHADLP CN(C(=O)NCC1C(C)(C)C1(C)C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001226964685 1032214098 /nfs/dbraw/zinc/21/40/98/1032214098.db2.gz WCDQMYGSCLESLE-MOPGFXCFSA-N 2 2 392.632 3.647 20 0 GHADLP CN(C(=O)NCC1C(C)(C)C1(C)C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001226964685 1032214113 /nfs/dbraw/zinc/21/41/13/1032214113.db2.gz WCDQMYGSCLESLE-MOPGFXCFSA-N 2 2 392.632 3.647 20 0 GHADLP O=C(N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001221205043 1032329728 /nfs/dbraw/zinc/32/97/28/1032329728.db2.gz ORKCDYQNFHURHW-GOTSBHOMSA-N 2 2 395.522 3.647 20 0 GHADLP O=C(N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001221205043 1032329732 /nfs/dbraw/zinc/32/97/32/1032329732.db2.gz ORKCDYQNFHURHW-GOTSBHOMSA-N 2 2 395.522 3.647 20 0 GHADLP C[Si](C)(C)c1ccc(C(F)(F)n2c[nH+]cc2C2CC[NH2+]CC2)nc1Cl ZINC001155063905 1032399392 /nfs/dbraw/zinc/39/93/92/1032399392.db2.gz JLCSNDIRVHTHST-UHFFFAOYSA-N 2 2 384.934 3.541 20 0 GHADLP CSc1cc[nH+]c(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155361426 1032518990 /nfs/dbraw/zinc/51/89/90/1032518990.db2.gz MDBPOVJMSNTOPL-IBGZPJMESA-N 3 2 382.577 3.717 20 0 GHADLP CSc1cc[nH+]c(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155361426 1032518996 /nfs/dbraw/zinc/51/89/96/1032518996.db2.gz MDBPOVJMSNTOPL-IBGZPJMESA-N 3 2 382.577 3.717 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1F)CC2 ZINC001204195239 1032648778 /nfs/dbraw/zinc/64/87/78/1032648778.db2.gz NVQKTMKHQXHXBT-KRWDZBQOSA-N 2 2 376.447 3.813 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1F)CC2 ZINC001204195239 1032648785 /nfs/dbraw/zinc/64/87/85/1032648785.db2.gz NVQKTMKHQXHXBT-KRWDZBQOSA-N 2 2 376.447 3.813 20 0 GHADLP Cn1nc(Br)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000691919493 1017774225 /nfs/dbraw/zinc/77/42/25/1017774225.db2.gz JZYLFHNODQFCKU-KRWDZBQOSA-N 2 2 391.357 3.573 20 0 GHADLP Cn1nc(Br)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000691919493 1017774229 /nfs/dbraw/zinc/77/42/29/1017774229.db2.gz JZYLFHNODQFCKU-KRWDZBQOSA-N 2 2 391.357 3.573 20 0 GHADLP Cc1cccn2cc(COc3ccc(C[N@H+](C)CCCn4cc[nH+]c4)cc3)nc12 ZINC000561980635 1017996966 /nfs/dbraw/zinc/99/69/66/1017996966.db2.gz UOHRBSNBRPKDCY-UHFFFAOYSA-N 2 2 389.503 3.940 20 0 GHADLP Cc1cccn2cc(COc3ccc(C[N@@H+](C)CCCn4cc[nH+]c4)cc3)nc12 ZINC000561980635 1017996968 /nfs/dbraw/zinc/99/69/68/1017996968.db2.gz UOHRBSNBRPKDCY-UHFFFAOYSA-N 2 2 389.503 3.940 20 0 GHADLP [NH3+][C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1c(F)cccc1F ZINC000564913230 1019129532 /nfs/dbraw/zinc/12/95/32/1019129532.db2.gz JHWXAAJDOHCCTE-OAQYLSRUSA-N 2 2 387.474 3.657 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)NC3CCC(C)CC3)C2)s1 ZINC000567994252 1019365742 /nfs/dbraw/zinc/36/57/42/1019365742.db2.gz HWKUXJYUGWITNF-AVAKVYKDSA-N 2 2 377.598 3.505 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)NC3CCC(C)CC3)C2)s1 ZINC000567994252 1019365757 /nfs/dbraw/zinc/36/57/57/1019365757.db2.gz HWKUXJYUGWITNF-AVAKVYKDSA-N 2 2 377.598 3.505 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)NC3CCC(C)CC3)C2)s1 ZINC000567994252 1019365770 /nfs/dbraw/zinc/36/57/70/1019365770.db2.gz HWKUXJYUGWITNF-AVAKVYKDSA-N 2 2 377.598 3.505 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)NC3CCC(C)CC3)C2)s1 ZINC000567994252 1019365789 /nfs/dbraw/zinc/36/57/89/1019365789.db2.gz HWKUXJYUGWITNF-AVAKVYKDSA-N 2 2 377.598 3.505 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000192044800 1020843565 /nfs/dbraw/zinc/84/35/65/1020843565.db2.gz XVIAZQFQCWFIDZ-UHFFFAOYSA-N 2 2 388.471 3.696 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000192044800 1020843575 /nfs/dbraw/zinc/84/35/75/1020843575.db2.gz XVIAZQFQCWFIDZ-UHFFFAOYSA-N 2 2 388.471 3.696 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834502059 1021227730 /nfs/dbraw/zinc/22/77/30/1021227730.db2.gz MPHDPWRFUBNUNK-PXNSSMCTSA-N 2 2 384.524 3.809 20 0 GHADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccc(Br)cc4)s3)C[C@H]2C1 ZINC001140299608 1021344978 /nfs/dbraw/zinc/34/49/78/1021344978.db2.gz BQJQAZFMGFXVMM-HUUCEWRRSA-N 2 2 392.366 3.956 20 0 GHADLP c1csc(-c2ccccc2C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)n1 ZINC001140451232 1021738355 /nfs/dbraw/zinc/73/83/55/1021738355.db2.gz JPOYWWNGLTWBRM-KDURUIRLSA-N 2 2 376.529 3.769 20 0 GHADLP c1csc(-c2ccccc2C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)n1 ZINC001140451232 1021738369 /nfs/dbraw/zinc/73/83/69/1021738369.db2.gz JPOYWWNGLTWBRM-KDURUIRLSA-N 2 2 376.529 3.769 20 0 GHADLP c1csc(-c2ccccc2C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)n1 ZINC001140451232 1021738387 /nfs/dbraw/zinc/73/83/87/1021738387.db2.gz JPOYWWNGLTWBRM-KDURUIRLSA-N 2 2 376.529 3.769 20 0 GHADLP c1csc(-c2ccccc2C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)n1 ZINC001140451232 1021738400 /nfs/dbraw/zinc/73/84/00/1021738400.db2.gz JPOYWWNGLTWBRM-KDURUIRLSA-N 2 2 376.529 3.769 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)Cc2ccc(-n3ccnn3)cc2)CC1 ZINC001137370396 1021991225 /nfs/dbraw/zinc/99/12/25/1021991225.db2.gz BPNHLTDKMPAZSG-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)Cc2ccc(-n3ccnn3)cc2)CC1 ZINC001137370396 1021991232 /nfs/dbraw/zinc/99/12/32/1021991232.db2.gz BPNHLTDKMPAZSG-UHFFFAOYSA-N 2 2 379.483 3.503 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)c(Cl)c1 ZINC001140797326 1022558987 /nfs/dbraw/zinc/55/89/87/1022558987.db2.gz UADCBOSWJFLNOZ-URVUXULASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)c(Cl)c1 ZINC001140797326 1022558999 /nfs/dbraw/zinc/55/89/99/1022558999.db2.gz UADCBOSWJFLNOZ-URVUXULASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001140797326 1022559009 /nfs/dbraw/zinc/55/90/09/1022559009.db2.gz UADCBOSWJFLNOZ-URVUXULASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001140797326 1022559019 /nfs/dbraw/zinc/55/90/19/1022559019.db2.gz UADCBOSWJFLNOZ-URVUXULASA-N 2 2 399.970 3.615 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC001204755061 1033067905 /nfs/dbraw/zinc/06/79/05/1033067905.db2.gz DFQIKXJEAXZVKG-QWHCGFSZSA-N 2 2 378.294 3.606 20 0 GHADLP FC(F)Oc1cccc(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001204836535 1033115622 /nfs/dbraw/zinc/11/56/22/1033115622.db2.gz PAPCKMFJDRZFLH-AZUAARDMSA-N 2 2 380.479 3.611 20 0 GHADLP FC(F)Oc1cccc(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001204836535 1033115629 /nfs/dbraw/zinc/11/56/29/1033115629.db2.gz PAPCKMFJDRZFLH-AZUAARDMSA-N 2 2 380.479 3.611 20 0 GHADLP FC(F)Oc1cccc(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001204836535 1033115634 /nfs/dbraw/zinc/11/56/34/1033115634.db2.gz PAPCKMFJDRZFLH-AZUAARDMSA-N 2 2 380.479 3.611 20 0 GHADLP FC(F)Oc1cccc(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001204836535 1033115639 /nfs/dbraw/zinc/11/56/39/1033115639.db2.gz PAPCKMFJDRZFLH-AZUAARDMSA-N 2 2 380.479 3.611 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccncc2NC(=O)OC(C)(C)C)C1 ZINC001141088797 1023463591 /nfs/dbraw/zinc/46/35/91/1023463591.db2.gz VGLJPIZYSHUJNA-KRWDZBQOSA-N 2 2 384.480 3.785 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccncc2NC(=O)OC(C)(C)C)C1 ZINC001141088797 1023463594 /nfs/dbraw/zinc/46/35/94/1023463594.db2.gz VGLJPIZYSHUJNA-KRWDZBQOSA-N 2 2 384.480 3.785 20 0 GHADLP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000756097020 1023521504 /nfs/dbraw/zinc/52/15/04/1023521504.db2.gz BPRXGQHJSBBNIE-UHFFFAOYSA-N 2 2 393.491 3.963 20 0 GHADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000830553391 1023982111 /nfs/dbraw/zinc/98/21/11/1023982111.db2.gz GTDWAGAMKCKEQM-QFIPXVFZSA-N 2 2 394.563 3.564 20 0 GHADLP CCOc1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)c(C)c1 ZINC001138433520 1024835120 /nfs/dbraw/zinc/83/51/20/1024835120.db2.gz PGMTUONMJVASBV-UHFFFAOYSA-N 2 2 382.552 3.758 20 0 GHADLP CCOc1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)c(C)c1 ZINC001138433520 1024835141 /nfs/dbraw/zinc/83/51/41/1024835141.db2.gz PGMTUONMJVASBV-UHFFFAOYSA-N 2 2 382.552 3.758 20 0 GHADLP CCOc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc(Br)c1O ZINC000838908547 1025434780 /nfs/dbraw/zinc/43/47/80/1025434780.db2.gz FZBHQDMPXVOFTH-INIZCTEOSA-N 2 2 396.329 3.954 20 0 GHADLP Cc1ccccc1OC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001139052719 1025840735 /nfs/dbraw/zinc/84/07/35/1025840735.db2.gz LSCJZBCVQQZKHC-UHFFFAOYSA-N 2 2 380.532 3.871 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc4c3ccn4CC)CC2)CC1 ZINC001139152351 1025969899 /nfs/dbraw/zinc/96/98/99/1025969899.db2.gz DADIHLGFHAKDOS-UHFFFAOYSA-N 2 2 397.563 3.901 20 0 GHADLP COc1ccccc1-n1c[nH+]c2cc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)ccc21 ZINC001163289299 1026127042 /nfs/dbraw/zinc/12/70/42/1026127042.db2.gz MDFIHHDVMRVFRW-UZUQRXQVSA-N 2 2 392.503 3.605 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)[NH+]1CCCC[C@H]1C ZINC001141693757 1026271213 /nfs/dbraw/zinc/27/12/13/1026271213.db2.gz DEUUBCPKCYZEIB-FUHIMQAGSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)[NH+]1CCCC[C@H]1C ZINC001141693757 1026271225 /nfs/dbraw/zinc/27/12/25/1026271225.db2.gz DEUUBCPKCYZEIB-FUHIMQAGSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1)[N@@H+]1CCCC[C@H]1C ZINC001141693757 1026271234 /nfs/dbraw/zinc/27/12/34/1026271234.db2.gz DEUUBCPKCYZEIB-FUHIMQAGSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1)[N@H+]1CCCC[C@H]1C ZINC001141693757 1026271243 /nfs/dbraw/zinc/27/12/43/1026271243.db2.gz DEUUBCPKCYZEIB-FUHIMQAGSA-N 2 2 377.960 3.684 20 0 GHADLP Nc1nc(N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC001165100891 1026606701 /nfs/dbraw/zinc/60/67/01/1026606701.db2.gz QFPWBYVGQHKSTG-HXUWFJFHSA-N 2 2 379.895 3.624 20 0 GHADLP CCOC(=O)c1c(C)cc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)[nH+]c1C ZINC001165150894 1026635571 /nfs/dbraw/zinc/63/55/71/1026635571.db2.gz SMQCQLSJGPOIHK-UHFFFAOYSA-N 2 2 393.531 3.902 20 0 GHADLP CCOC(=O)c1c(C)cc(N2CCC([N@H+]3CCc4ccccc4C3)CC2)[nH+]c1C ZINC001165150894 1026635580 /nfs/dbraw/zinc/63/55/80/1026635580.db2.gz SMQCQLSJGPOIHK-UHFFFAOYSA-N 2 2 393.531 3.902 20 0 GHADLP COc1cc2cc[nH+]c(N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)c2cc1F ZINC001165267429 1026685832 /nfs/dbraw/zinc/68/58/32/1026685832.db2.gz BGBZLJNSOGPPMB-KRWDZBQOSA-N 2 2 383.389 3.893 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H](C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001140021965 1026806754 /nfs/dbraw/zinc/80/67/54/1026806754.db2.gz VVXIOONPVQRTFD-SFHVURJKSA-N 2 2 396.535 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H](C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001140021965 1026806762 /nfs/dbraw/zinc/80/67/62/1026806762.db2.gz VVXIOONPVQRTFD-SFHVURJKSA-N 2 2 396.535 3.870 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC2(C[C@H](c3cncnc3)CO2)CC1 ZINC001140024632 1026811486 /nfs/dbraw/zinc/81/14/86/1026811486.db2.gz IIYSVSHXABHUGU-FQEVSTJZSA-N 2 2 389.503 3.509 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC2(C[C@H](OCC3CC3)CO2)CC1 ZINC001140026055 1026813628 /nfs/dbraw/zinc/81/36/28/1026813628.db2.gz UBPGCRNGCGVVMV-NRFANRHFSA-N 2 2 381.520 3.731 20 0 GHADLP COC(=O)[C@H]1C[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C[C@@H]1c1ccccc1 ZINC001140029806 1026819009 /nfs/dbraw/zinc/81/90/09/1026819009.db2.gz TVWUMMLGMBBJQT-RTWAWAEBSA-N 2 2 375.472 3.569 20 0 GHADLP COC(=O)[C@H]1C[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C[C@@H]1c1ccccc1 ZINC001140029806 1026819014 /nfs/dbraw/zinc/81/90/14/1026819014.db2.gz TVWUMMLGMBBJQT-RTWAWAEBSA-N 2 2 375.472 3.569 20 0 GHADLP CN1CC[NH+](C2CCN(c3ccc(Nc4ccc5[nH]c[nH+]c5c4)cc3)CC2)CC1 ZINC001209848887 1027240754 /nfs/dbraw/zinc/24/07/54/1027240754.db2.gz PFYHFFXYHRSVKD-UHFFFAOYSA-N 2 2 390.535 3.523 20 0 GHADLP CC(=O)OCc1ccc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)o1 ZINC001141791570 1027294142 /nfs/dbraw/zinc/29/41/42/1027294142.db2.gz BANYAOOXBQDISI-TWRVUUBYSA-N 2 2 384.520 3.738 20 0 GHADLP CC(=O)OCc1ccc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)o1 ZINC001141791570 1027294157 /nfs/dbraw/zinc/29/41/57/1027294157.db2.gz BANYAOOXBQDISI-TWRVUUBYSA-N 2 2 384.520 3.738 20 0 GHADLP CC(=O)OCc1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)o1 ZINC001141791570 1027294169 /nfs/dbraw/zinc/29/41/69/1027294169.db2.gz BANYAOOXBQDISI-TWRVUUBYSA-N 2 2 384.520 3.738 20 0 GHADLP CC(=O)OCc1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)o1 ZINC001141791570 1027294176 /nfs/dbraw/zinc/29/41/76/1027294176.db2.gz BANYAOOXBQDISI-TWRVUUBYSA-N 2 2 384.520 3.738 20 0 GHADLP Cc1cc(N)[nH+]cc1Nc1cccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001209970075 1027296696 /nfs/dbraw/zinc/29/66/96/1027296696.db2.gz SWUSMOKZIHTHJE-UHFFFAOYSA-N 2 2 397.523 3.769 20 0 GHADLP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccccc1OC ZINC001203434763 1027336819 /nfs/dbraw/zinc/33/68/19/1027336819.db2.gz VUQABBXJTNABLQ-JOCHJYFZSA-N 2 2 384.520 3.647 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)c(OC)cc3C)CC2)C1 ZINC001203755012 1027577985 /nfs/dbraw/zinc/57/79/85/1027577985.db2.gz IBZUZNQUWRUKCM-IBGZPJMESA-N 2 2 388.552 3.552 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)c(OC)cc3C)CC2)C1 ZINC001203755012 1027578000 /nfs/dbraw/zinc/57/80/00/1027578000.db2.gz IBZUZNQUWRUKCM-IBGZPJMESA-N 2 2 388.552 3.552 20 0 GHADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001204089476 1027867747 /nfs/dbraw/zinc/86/77/47/1027867747.db2.gz NWHAAIYTNAGMDL-JEBQAFNWSA-N 2 2 379.335 3.917 20 0 GHADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001204089476 1027867764 /nfs/dbraw/zinc/86/77/64/1027867764.db2.gz NWHAAIYTNAGMDL-JEBQAFNWSA-N 2 2 379.335 3.917 20 0 GHADLP Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)c1 ZINC001461329920 1069503597 /nfs/dbraw/zinc/50/35/97/1069503597.db2.gz BSGKKBBBWZJQGG-FQEVSTJZSA-N 2 2 385.895 3.747 20 0 GHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001461343769 1069509965 /nfs/dbraw/zinc/50/99/65/1069509965.db2.gz KAKIVIQCKHLEES-DLBZAZTESA-N 2 2 388.886 3.799 20 0 GHADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC001142239610 1028449156 /nfs/dbraw/zinc/44/91/56/1028449156.db2.gz IVNGXESKJPCIAT-NQIIRXRSSA-N 2 2 389.559 3.807 20 0 GHADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC001142239610 1028449164 /nfs/dbraw/zinc/44/91/64/1028449164.db2.gz IVNGXESKJPCIAT-NQIIRXRSSA-N 2 2 389.559 3.807 20 0 GHADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC001142239610 1028449170 /nfs/dbraw/zinc/44/91/70/1028449170.db2.gz IVNGXESKJPCIAT-NQIIRXRSSA-N 2 2 389.559 3.807 20 0 GHADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC001142239610 1028449175 /nfs/dbraw/zinc/44/91/75/1028449175.db2.gz IVNGXESKJPCIAT-NQIIRXRSSA-N 2 2 389.559 3.807 20 0 GHADLP Fc1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)c(F)cc1Cl ZINC001461477463 1069567463 /nfs/dbraw/zinc/56/74/63/1069567463.db2.gz DMEUFUUFIXCCGS-UHFFFAOYSA-N 2 2 396.865 3.619 20 0 GHADLP Clc1cc(C[NH2+]Cc2cnn3ccccc23)ccc1OCCn1cc[nH+]c1 ZINC001461494195 1069576934 /nfs/dbraw/zinc/57/69/34/1069576934.db2.gz QNKZSTOBJVEZOK-UHFFFAOYSA-N 2 2 381.867 3.553 20 0 GHADLP CCOc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(F)c1F ZINC001143272913 1029970731 /nfs/dbraw/zinc/97/07/31/1029970731.db2.gz TUQRYUAVGNKBTK-MJGOQNOKSA-N 2 2 387.474 3.712 20 0 GHADLP CCOc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(F)c1F ZINC001143272913 1029970734 /nfs/dbraw/zinc/97/07/34/1029970734.db2.gz TUQRYUAVGNKBTK-MJGOQNOKSA-N 2 2 387.474 3.712 20 0 GHADLP CCOc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c(F)c1F ZINC001143272913 1029970741 /nfs/dbraw/zinc/97/07/41/1029970741.db2.gz TUQRYUAVGNKBTK-MJGOQNOKSA-N 2 2 387.474 3.712 20 0 GHADLP CCOc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c(F)c1F ZINC001143272913 1029970745 /nfs/dbraw/zinc/97/07/45/1029970745.db2.gz TUQRYUAVGNKBTK-MJGOQNOKSA-N 2 2 387.474 3.712 20 0 GHADLP C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461658269 1069662652 /nfs/dbraw/zinc/66/26/52/1069662652.db2.gz VZCNPCZJEQYVGP-IEBWSBKVSA-N 2 2 375.557 3.885 20 0 GHADLP C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461658269 1069662657 /nfs/dbraw/zinc/66/26/57/1069662657.db2.gz VZCNPCZJEQYVGP-IEBWSBKVSA-N 2 2 375.557 3.885 20 0 GHADLP FC(F)(F)[C@@H]1CCC[NH2+][C@@H]1c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217707961 1030618669 /nfs/dbraw/zinc/61/86/69/1030618669.db2.gz YGELSJWLGNKQKW-OAGGEKHMSA-N 2 2 380.414 3.662 20 0 GHADLP FC(F)(F)[C@@H]1CCC[NH2+][C@@H]1c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217707961 1030618681 /nfs/dbraw/zinc/61/86/81/1030618681.db2.gz YGELSJWLGNKQKW-OAGGEKHMSA-N 2 2 380.414 3.662 20 0 GHADLP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131294702 1030896424 /nfs/dbraw/zinc/89/64/24/1030896424.db2.gz UBNBUGKVJYVAQG-HUUCEWRRSA-N 2 2 394.441 3.721 20 0 GHADLP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131294702 1030896450 /nfs/dbraw/zinc/89/64/50/1030896450.db2.gz UBNBUGKVJYVAQG-HUUCEWRRSA-N 2 2 394.441 3.721 20 0 GHADLP [NH3+]C1CC[NH+](Cc2ccccc2O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)CC1 ZINC001218390250 1030916882 /nfs/dbraw/zinc/91/68/82/1030916882.db2.gz GYAHMOFVQPUSGJ-JOCHJYFZSA-N 3 2 397.538 3.792 20 0 GHADLP [NH3+]C1CC[NH+](Cc2ccccc2O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC001218390250 1030916885 /nfs/dbraw/zinc/91/68/85/1030916885.db2.gz GYAHMOFVQPUSGJ-JOCHJYFZSA-N 3 2 397.538 3.792 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)N3CCC(CCC[NH+](C)C)CC3)ccc21 ZINC001218616968 1031007450 /nfs/dbraw/zinc/00/74/50/1031007450.db2.gz NCYWWCTYRFVTTN-UHFFFAOYSA-N 2 2 383.540 3.887 20 0 GHADLP CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(C[NH2+]Cc3ccoc3)cc2)CC1 ZINC001461755446 1069726672 /nfs/dbraw/zinc/72/66/72/1069726672.db2.gz UFNKNRVVCCRAQJ-UHFFFAOYSA-N 2 2 385.508 3.622 20 0 GHADLP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC001225694278 1031547607 /nfs/dbraw/zinc/54/76/07/1031547607.db2.gz KPQWZQTULFGVRU-XZOQPEGZSA-N 2 2 392.547 3.652 20 0 GHADLP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC001225694278 1031547622 /nfs/dbraw/zinc/54/76/22/1031547622.db2.gz KPQWZQTULFGVRU-XZOQPEGZSA-N 2 2 392.547 3.652 20 0 GHADLP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC001225694277 1031548305 /nfs/dbraw/zinc/54/83/05/1031548305.db2.gz KPQWZQTULFGVRU-PKTZIBPZSA-N 2 2 392.547 3.652 20 0 GHADLP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC001225694277 1031548309 /nfs/dbraw/zinc/54/83/09/1031548309.db2.gz KPQWZQTULFGVRU-PKTZIBPZSA-N 2 2 392.547 3.652 20 0 GHADLP CC(C)C1(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)CC[NH2+]CC1 ZINC001220533998 1031981162 /nfs/dbraw/zinc/98/11/62/1031981162.db2.gz VHIXQLSOYANFNL-KRWDZBQOSA-N 2 2 386.367 3.738 20 0 GHADLP CN(C)c1[nH+]ccc2cc(NC(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)ccc21 ZINC001205597726 1033486120 /nfs/dbraw/zinc/48/61/20/1033486120.db2.gz DMZQERBIHFMRQE-FQEVSTJZSA-N 2 2 391.519 3.595 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(OCc2ccccc2)cc1OC ZINC001206163745 1033749324 /nfs/dbraw/zinc/74/93/24/1033749324.db2.gz FGFRAFNDLQTNNX-OALUTQOASA-N 2 2 388.483 3.544 20 0 GHADLP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(OCc2ccccc2)cc1OC ZINC001206163745 1033749336 /nfs/dbraw/zinc/74/93/36/1033749336.db2.gz FGFRAFNDLQTNNX-OALUTQOASA-N 2 2 388.483 3.544 20 0 GHADLP COc1ccc(CN(c2nc(NCC3CC3)c(C)c[nH+]2)C2CC[NH2+]CC2)cc1F ZINC001158004983 1033864466 /nfs/dbraw/zinc/86/44/66/1033864466.db2.gz WTOWUHLYDHARPN-UHFFFAOYSA-N 2 2 399.514 3.513 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC001206503158 1033877360 /nfs/dbraw/zinc/87/73/60/1033877360.db2.gz QFDJBLQNTUVOHM-QFIPXVFZSA-N 2 2 381.520 3.746 20 0 GHADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC001206503158 1033877371 /nfs/dbraw/zinc/87/73/71/1033877371.db2.gz QFDJBLQNTUVOHM-QFIPXVFZSA-N 2 2 381.520 3.746 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc4cnn([C@H]5CCCCO5)c4c3)c2)C1 ZINC001206675940 1033939917 /nfs/dbraw/zinc/93/99/17/1033939917.db2.gz QHEUNDYYAPBQMQ-JTHBVZDNSA-N 2 2 376.504 3.935 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc4cnn([C@H]5CCCCO5)c4c3)c2)C1 ZINC001206675940 1033939922 /nfs/dbraw/zinc/93/99/22/1033939922.db2.gz QHEUNDYYAPBQMQ-JTHBVZDNSA-N 2 2 376.504 3.935 20 0 GHADLP Clc1ccc([C@H]2C[C@@H]2C[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001207188076 1034159320 /nfs/dbraw/zinc/15/93/20/1034159320.db2.gz SNLSXAIISJBJJH-UYAOXDASSA-N 2 2 399.970 3.579 20 0 GHADLP Clc1ccc([C@H]2C[C@@H]2C[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001207188076 1034159331 /nfs/dbraw/zinc/15/93/31/1034159331.db2.gz SNLSXAIISJBJJH-UYAOXDASSA-N 2 2 399.970 3.579 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(CC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001207217484 1034185306 /nfs/dbraw/zinc/18/53/06/1034185306.db2.gz ILDFIPVDQTUKGZ-UHFFFAOYSA-N 2 2 389.540 3.962 20 0 GHADLP COc1cc2ccc(N3CCC4(CC3)[NH2+]CCc3ccccc34)[nH+]c2cc1OC ZINC001159019313 1034384326 /nfs/dbraw/zinc/38/43/26/1034384326.db2.gz JGPZUUDFYPMMHZ-UHFFFAOYSA-N 2 2 389.499 3.893 20 0 GHADLP Cc1cccc(CC[NH+]2CCC([N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC001207554995 1034447229 /nfs/dbraw/zinc/44/72/29/1034447229.db2.gz XGQZRMRFCDJVOP-HXUWFJFHSA-N 2 2 387.568 3.601 20 0 GHADLP Cc1cccc(CC[NH+]2CCC([N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC001207554995 1034447233 /nfs/dbraw/zinc/44/72/33/1034447233.db2.gz XGQZRMRFCDJVOP-HXUWFJFHSA-N 2 2 387.568 3.601 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)cc1Cl ZINC001231420830 1034571088 /nfs/dbraw/zinc/57/10/88/1034571088.db2.gz FZQLQBTVAQQJOO-URVUXULASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)cc1Cl ZINC001231420830 1034571089 /nfs/dbraw/zinc/57/10/89/1034571089.db2.gz FZQLQBTVAQQJOO-URVUXULASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1Cl ZINC001231420830 1034571090 /nfs/dbraw/zinc/57/10/90/1034571090.db2.gz FZQLQBTVAQQJOO-URVUXULASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1Cl ZINC001231420830 1034571094 /nfs/dbraw/zinc/57/10/94/1034571094.db2.gz FZQLQBTVAQQJOO-URVUXULASA-N 2 2 399.970 3.615 20 0 GHADLP Cc1cc(Oc2ccc(Nc3ccc(C(=O)N4CC[NH2+]CC4)cc3)cc2)cc[nH+]1 ZINC001159813332 1034750757 /nfs/dbraw/zinc/75/07/57/1034750757.db2.gz DFOUWEINMQRPBN-UHFFFAOYSA-N 2 2 388.471 3.971 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@@H](C)Cc1ccc3c(c1)OCO3)[C@H]2C ZINC001208213225 1034803917 /nfs/dbraw/zinc/80/39/17/1034803917.db2.gz HJFUQWZGZWIWDK-ROUUACIJSA-N 2 2 398.551 3.707 20 0 GHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@@H](C)Cc1ccc3c(c1)OCO3)[C@H]2C ZINC001208213225 1034803928 /nfs/dbraw/zinc/80/39/28/1034803928.db2.gz HJFUQWZGZWIWDK-ROUUACIJSA-N 2 2 398.551 3.707 20 0 GHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@@H](C)Cc1ccc3c(c1)OCO3)[C@H]2C ZINC001208213225 1034803951 /nfs/dbraw/zinc/80/39/51/1034803951.db2.gz HJFUQWZGZWIWDK-ROUUACIJSA-N 2 2 398.551 3.707 20 0 GHADLP CCOc1ccc(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cn1 ZINC001231652747 1034809742 /nfs/dbraw/zinc/80/97/42/1034809742.db2.gz JBJRWGJOJRGOPY-UHFFFAOYSA-N 2 2 392.503 3.659 20 0 GHADLP CCOc1ccc(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cn1 ZINC001231652747 1034809755 /nfs/dbraw/zinc/80/97/55/1034809755.db2.gz JBJRWGJOJRGOPY-UHFFFAOYSA-N 2 2 392.503 3.659 20 0 GHADLP CCOc1ccc(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)cn1 ZINC001231652747 1034809764 /nfs/dbraw/zinc/80/97/64/1034809764.db2.gz JBJRWGJOJRGOPY-UHFFFAOYSA-N 2 2 392.503 3.659 20 0 GHADLP CCOc1ccc(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)cn1 ZINC001231652747 1034809776 /nfs/dbraw/zinc/80/97/76/1034809776.db2.gz JBJRWGJOJRGOPY-UHFFFAOYSA-N 2 2 392.503 3.659 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC001160165389 1034886656 /nfs/dbraw/zinc/88/66/56/1034886656.db2.gz HOSNOZVYNLIHSL-HSZRJFAPSA-N 2 2 383.580 3.861 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC2)cc1 ZINC001160165389 1034886662 /nfs/dbraw/zinc/88/66/62/1034886662.db2.gz HOSNOZVYNLIHSL-HSZRJFAPSA-N 2 2 383.580 3.861 20 0 GHADLP CC(C)Oc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001231756828 1034886959 /nfs/dbraw/zinc/88/69/59/1034886959.db2.gz BSNAXHYESHIRLA-VJBMBRPKSA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1ncccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001231756828 1034886970 /nfs/dbraw/zinc/88/69/70/1034886970.db2.gz BSNAXHYESHIRLA-VJBMBRPKSA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1ncccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231756828 1034886980 /nfs/dbraw/zinc/88/69/80/1034886980.db2.gz BSNAXHYESHIRLA-VJBMBRPKSA-N 2 2 394.563 3.996 20 0 GHADLP CC(C)Oc1ncccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231756828 1034886988 /nfs/dbraw/zinc/88/69/88/1034886988.db2.gz BSNAXHYESHIRLA-VJBMBRPKSA-N 2 2 394.563 3.996 20 0 GHADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@H]2COC3(CCCCC3)O2)CC1 ZINC001208643026 1034966163 /nfs/dbraw/zinc/96/61/63/1034966163.db2.gz CWZALEYOMGGXDG-NRFANRHFSA-N 2 2 376.516 3.798 20 0 GHADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@H]2COC3(CCCCC3)O2)CC1 ZINC001208643026 1034966166 /nfs/dbraw/zinc/96/61/66/1034966166.db2.gz CWZALEYOMGGXDG-NRFANRHFSA-N 2 2 376.516 3.798 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cccc3c1OCCO3)CC2 ZINC001231883743 1034966721 /nfs/dbraw/zinc/96/67/21/1034966721.db2.gz PPACBUCQMDIQCT-UHFFFAOYSA-N 2 2 397.519 3.693 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cccc3c1OCCO3)CC2 ZINC001231883743 1034966723 /nfs/dbraw/zinc/96/67/23/1034966723.db2.gz PPACBUCQMDIQCT-UHFFFAOYSA-N 2 2 397.519 3.693 20 0 GHADLP CC(C)OCc1nn(CC2CC2)c2c1C[N@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232012740 1035042365 /nfs/dbraw/zinc/04/23/65/1035042365.db2.gz QBRDDLWABPNJHQ-UHFFFAOYSA-N 2 2 379.508 3.653 20 0 GHADLP CC(C)OCc1nn(CC2CC2)c2c1C[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232012740 1035042373 /nfs/dbraw/zinc/04/23/73/1035042373.db2.gz QBRDDLWABPNJHQ-UHFFFAOYSA-N 2 2 379.508 3.653 20 0 GHADLP Cc1ccc([C@@H](C(=O)N(C)C(C)(C)Cc2ccccc2)[NH+]2CCC([NH3+])CC2)cc1 ZINC001160974996 1035109963 /nfs/dbraw/zinc/10/99/63/1035109963.db2.gz LNIFIJSBSVZAPT-QHCPKHFHSA-N 2 2 393.575 3.939 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1c(Br)[nH]c3ccccc31)CC2 ZINC001232142657 1035120591 /nfs/dbraw/zinc/12/05/91/1035120591.db2.gz LQAVKCYPTYIPEC-UHFFFAOYSA-N 2 2 391.313 3.560 20 0 GHADLP C[C@@H]1C[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001208952515 1035126006 /nfs/dbraw/zinc/12/60/06/1035126006.db2.gz JUZPOTAPUDTQQU-ZVDOUQERSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1C[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001208952515 1035126011 /nfs/dbraw/zinc/12/60/11/1035126011.db2.gz JUZPOTAPUDTQQU-ZVDOUQERSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1C[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001208952515 1035126016 /nfs/dbraw/zinc/12/60/16/1035126016.db2.gz JUZPOTAPUDTQQU-ZVDOUQERSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@@H]1C[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001208952515 1035126020 /nfs/dbraw/zinc/12/60/20/1035126020.db2.gz JUZPOTAPUDTQQU-ZVDOUQERSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@H]1C[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001208956881 1035129829 /nfs/dbraw/zinc/12/98/29/1035129829.db2.gz JUZPOTAPUDTQQU-IRFCIJBXSA-N 2 2 387.568 3.838 20 0 GHADLP C[C@H]1C[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001208956881 1035129832 /nfs/dbraw/zinc/12/98/32/1035129832.db2.gz JUZPOTAPUDTQQU-IRFCIJBXSA-N 2 2 387.568 3.838 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccnc4c(F)cccc34)CC2)C1 ZINC001232210812 1035164550 /nfs/dbraw/zinc/16/45/50/1035164550.db2.gz VNLDTKAEPFEJAP-GOSISDBHSA-N 2 2 399.510 3.613 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccnc4c(F)cccc34)CC2)C1 ZINC001232210812 1035164552 /nfs/dbraw/zinc/16/45/52/1035164552.db2.gz VNLDTKAEPFEJAP-GOSISDBHSA-N 2 2 399.510 3.613 20 0 GHADLP CN(CCC[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1)C(=O)OC(C)(C)C ZINC001209139795 1035190336 /nfs/dbraw/zinc/19/03/36/1035190336.db2.gz KTBVJGLUDUOFBF-UHFFFAOYSA-N 2 2 393.547 3.979 20 0 GHADLP CN(CCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1)C(=O)OC(C)(C)C ZINC001209139795 1035190340 /nfs/dbraw/zinc/19/03/40/1035190340.db2.gz KTBVJGLUDUOFBF-UHFFFAOYSA-N 2 2 393.547 3.979 20 0 GHADLP Cc1[nH]c2ncccc2c1C[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001209590845 1035320827 /nfs/dbraw/zinc/32/08/27/1035320827.db2.gz PTMRCWVVNIOXRD-UHFFFAOYSA-N 2 2 396.292 3.881 20 0 GHADLP CCOc1cc(C(=O)OC)ccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001209685706 1035355073 /nfs/dbraw/zinc/35/50/73/1035355073.db2.gz RSTSJNWUPGCEMM-FQEVSTJZSA-N 2 2 396.531 3.826 20 0 GHADLP CCOc1cc(C(=O)OC)ccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001209685706 1035355079 /nfs/dbraw/zinc/35/50/79/1035355079.db2.gz RSTSJNWUPGCEMM-FQEVSTJZSA-N 2 2 396.531 3.826 20 0 GHADLP CCOc1cc(C(=O)OC)ccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001209685706 1035355083 /nfs/dbraw/zinc/35/50/83/1035355083.db2.gz RSTSJNWUPGCEMM-FQEVSTJZSA-N 2 2 396.531 3.826 20 0 GHADLP CCOc1cc(C(=O)OC)ccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001209685706 1035355088 /nfs/dbraw/zinc/35/50/88/1035355088.db2.gz RSTSJNWUPGCEMM-FQEVSTJZSA-N 2 2 396.531 3.826 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2c[nH]c4cc(F)ccc24)CC3)cn1 ZINC001209688116 1035356752 /nfs/dbraw/zinc/35/67/52/1035356752.db2.gz QIDSUDOWRPKXOB-UHFFFAOYSA-N 2 2 381.499 3.671 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2c[nH]c4cc(F)ccc24)CC3)cn1 ZINC001209688116 1035356755 /nfs/dbraw/zinc/35/67/55/1035356755.db2.gz QIDSUDOWRPKXOB-UHFFFAOYSA-N 2 2 381.499 3.671 20 0 GHADLP C(=C/[NH+]1CCCC1)\c1cccnc1-c1noc(CCc2cn3ccccc3[nH+]2)n1 ZINC001248126233 1035549555 /nfs/dbraw/zinc/54/95/55/1035549555.db2.gz SUCOXRHDSMUYJB-XNTDXEJSSA-N 2 2 386.459 3.631 20 0 GHADLP Cc1cccc(Br)c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001248608215 1035986798 /nfs/dbraw/zinc/98/67/98/1035986798.db2.gz IEHSWICCCXYBIU-IRXDYDNUSA-N 2 2 386.337 3.716 20 0 GHADLP CC(C)Oc1cc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc(OC(C)C)c1 ZINC001248654839 1036028786 /nfs/dbraw/zinc/02/87/86/1036028786.db2.gz YQGOREBNNLCYPC-UHFFFAOYSA-N 2 2 389.540 3.891 20 0 GHADLP Fc1ccc(C[NH+]2CCOCC2)c(-c2ccc3c(c2)CCC32CC[NH2+]CC2)c1 ZINC001243085821 1036029247 /nfs/dbraw/zinc/02/92/47/1036029247.db2.gz RTVOPPYKCOPEJE-UHFFFAOYSA-N 2 2 380.507 3.892 20 0 GHADLP c1cn(Cc2ccc(-c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)cc2)c[nH+]1 ZINC001243658333 1036241645 /nfs/dbraw/zinc/24/16/45/1036241645.db2.gz WHKQZRNRRGCEMQ-UHFFFAOYSA-N 2 2 381.483 3.947 20 0 GHADLP c1cn(Cc2ccc(-c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)cc2)c[nH+]1 ZINC001243658333 1036241657 /nfs/dbraw/zinc/24/16/57/1036241657.db2.gz WHKQZRNRRGCEMQ-UHFFFAOYSA-N 2 2 381.483 3.947 20 0 GHADLP CN(C(=O)c1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1)c1ccccc1 ZINC001245127444 1036769999 /nfs/dbraw/zinc/76/99/99/1036769999.db2.gz QHSYQHBYGCCVIF-UHFFFAOYSA-N 2 2 382.467 3.965 20 0 GHADLP O[C@H](C[NH2+]C[C@@]1(F)CC[NH2+]C1)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245984320 1037107443 /nfs/dbraw/zinc/10/74/43/1037107443.db2.gz JAVRZQGONNUVBJ-UYAOXDASSA-N 2 2 395.305 3.889 20 0 GHADLP O[C@@H](C[NH2+]C1(c2ccc(Cl)cc2)CC[NH2+]CC1)COc1ccc(Cl)cc1 ZINC001246003832 1037123481 /nfs/dbraw/zinc/12/34/81/1037123481.db2.gz WCBJMCRHZGFRGW-SFHVURJKSA-N 2 2 395.330 3.602 20 0 GHADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC001246055955 1037168076 /nfs/dbraw/zinc/16/80/76/1037168076.db2.gz NGVVMLZDQHIPPF-AYOQOUSVSA-N 2 2 379.331 3.714 20 0 GHADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC001246055955 1037168089 /nfs/dbraw/zinc/16/80/89/1037168089.db2.gz NGVVMLZDQHIPPF-AYOQOUSVSA-N 2 2 379.331 3.714 20 0 GHADLP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246206615 1037238784 /nfs/dbraw/zinc/23/87/84/1037238784.db2.gz JBIRHJDGGFFXRI-PBHICJAKSA-N 2 2 399.373 3.809 20 0 GHADLP COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)cc1 ZINC001246360011 1037319335 /nfs/dbraw/zinc/31/93/35/1037319335.db2.gz DKNHDLLBTRXZFV-ZFGGDYGUSA-N 2 2 397.538 3.800 20 0 GHADLP [NH3+]C1(Cc2ccccc2F)CC[NH+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246422513 1037380247 /nfs/dbraw/zinc/38/02/47/1037380247.db2.gz UKYXZORXHDIJPV-YADHBBJMSA-N 3 2 381.539 3.525 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246452189 1037411620 /nfs/dbraw/zinc/41/16/20/1037411620.db2.gz CSLGYIWISFAVQF-GMAHTHKFSA-N 3 2 381.539 3.882 20 0 GHADLP c1c(C[NH2+][C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)onc1-c1ccc2c(c1)OCO2 ZINC001246473000 1037424186 /nfs/dbraw/zinc/42/41/86/1037424186.db2.gz GEGOROHVZYKNDN-OALUTQOASA-N 2 2 391.471 3.523 20 0 GHADLP COc1cc(NC(=O)C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc2ccccc21 ZINC001246487274 1037433049 /nfs/dbraw/zinc/43/30/49/1037433049.db2.gz KVYRGGOSMKETSR-DENIHFKCSA-N 2 2 389.499 3.870 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246505372 1037446301 /nfs/dbraw/zinc/44/63/01/1037446301.db2.gz VHFBUJPYBWESEA-HVHOJJEHSA-N 3 2 377.576 3.850 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246505372 1037446320 /nfs/dbraw/zinc/44/63/20/1037446320.db2.gz VHFBUJPYBWESEA-HVHOJJEHSA-N 3 2 377.576 3.850 20 0 GHADLP COC(=O)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)cc1 ZINC001246525213 1037456792 /nfs/dbraw/zinc/45/67/92/1037456792.db2.gz MQNFMRBFEYVMIV-APWZRJJASA-N 2 2 393.314 3.927 20 0 GHADLP COC(=O)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001246528852 1037463606 /nfs/dbraw/zinc/46/36/06/1037463606.db2.gz ZIQMRARXJJLUSX-UGSOOPFHSA-N 2 2 380.410 3.713 20 0 GHADLP COc1ccccc1N1CC[NH+]([C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)CC1 ZINC001246535763 1037471402 /nfs/dbraw/zinc/47/14/02/1037471402.db2.gz KPUKXDVQPQFDTO-FPOVZHCZSA-N 2 2 383.511 3.758 20 0 GHADLP CC(C)[NH+]1CCC([N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001246617058 1037505839 /nfs/dbraw/zinc/50/58/39/1037505839.db2.gz FKBHXKAHRBQHQN-QHCPKHFHSA-N 3 2 385.596 3.663 20 0 GHADLP CC(C)[NH+]1CCC([N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001246617058 1037505851 /nfs/dbraw/zinc/50/58/51/1037505851.db2.gz FKBHXKAHRBQHQN-QHCPKHFHSA-N 3 2 385.596 3.663 20 0 GHADLP CC(C)[NH+]1CCC([N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001246617057 1037508157 /nfs/dbraw/zinc/50/81/57/1037508157.db2.gz FKBHXKAHRBQHQN-HSZRJFAPSA-N 3 2 385.596 3.663 20 0 GHADLP CC(C)[NH+]1CCC([N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001246617057 1037508178 /nfs/dbraw/zinc/50/81/78/1037508178.db2.gz FKBHXKAHRBQHQN-HSZRJFAPSA-N 3 2 385.596 3.663 20 0 GHADLP CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+]([C@@H]3CC[C@@H](C)[NH2+]C3)CC2)c2ccccc21 ZINC001246749882 1037587567 /nfs/dbraw/zinc/58/75/67/1037587567.db2.gz CCNJHOZKCNYPOQ-NJDAHSKKSA-N 2 2 397.607 3.907 20 0 GHADLP FC(F)(F)c1ccc(N2CC[NH+]([C@H]3CC[NH2+]C4(CCCCC4)C3)CC2)nc1 ZINC001246770750 1037612621 /nfs/dbraw/zinc/61/26/21/1037612621.db2.gz SEIYMMZNJJOVJZ-KRWDZBQOSA-N 2 2 382.474 3.677 20 0 GHADLP c1cc(-c2ccc3nc(C4CC[NH+]([C@@H]5CCCC[NH2+]C5)CC4)nn3c2)cs1 ZINC001246771161 1037613159 /nfs/dbraw/zinc/61/31/59/1037613159.db2.gz TUNQWMMKTNBJGV-LJQANCHMSA-N 2 2 381.549 3.779 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H](N2CC[NH+](Cc3cccc(F)c3)CC2)CC[NH2+]1 ZINC001246774702 1037615300 /nfs/dbraw/zinc/61/53/00/1037615300.db2.gz GGLRTQNFPGWDNX-JTHBVZDNSA-N 2 2 385.502 3.884 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H](N2CC[NH+](Cc3cccc(F)c3)CC2)CC[NH2+]1 ZINC001246774490 1037615658 /nfs/dbraw/zinc/61/56/58/1037615658.db2.gz GGLRTQNFPGWDNX-FYYLOGMGSA-N 2 2 385.502 3.884 20 0 GHADLP CC(C)[C@H]1C[C@H]([NH+]2CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC2)CC[NH2+]1 ZINC001246787242 1037626439 /nfs/dbraw/zinc/62/64/39/1037626439.db2.gz KUJJNAPXULPREG-UKRRQHHQSA-N 2 2 390.881 3.652 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH+]2CCC(C(=O)OC(C)(C)C)CC2)CC[NH2+]1 ZINC001246791661 1037631501 /nfs/dbraw/zinc/63/15/01/1037631501.db2.gz LPTQFASFLRLIRP-AZUAARDMSA-N 2 2 376.516 3.981 20 0 GHADLP Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246791179 1037631556 /nfs/dbraw/zinc/63/15/56/1037631556.db2.gz QCZQTRHFYFFXMY-AIZNXBIQSA-N 2 2 397.513 3.955 20 0 GHADLP Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246791179 1037631563 /nfs/dbraw/zinc/63/15/63/1037631563.db2.gz QCZQTRHFYFFXMY-AIZNXBIQSA-N 2 2 397.513 3.955 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246793501 1037633809 /nfs/dbraw/zinc/63/38/09/1037633809.db2.gz ZXWLHLBAOHYIRC-KPFFTGBYSA-N 2 2 376.516 3.981 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246793501 1037633824 /nfs/dbraw/zinc/63/38/24/1037633824.db2.gz ZXWLHLBAOHYIRC-KPFFTGBYSA-N 2 2 376.516 3.981 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC001246809049 1037642308 /nfs/dbraw/zinc/64/23/08/1037642308.db2.gz ZWBZUAMGAJMIBF-ISXFXILCSA-N 3 2 393.550 3.991 20 0 GHADLP COC(=O)c1ccc(C2C[NH+]([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)cc1 ZINC001246950822 1037752423 /nfs/dbraw/zinc/75/24/23/1037752423.db2.gz XTUDFSZOINAONT-RBBKRZOGSA-N 2 2 382.479 3.813 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246957310 1037767518 /nfs/dbraw/zinc/76/75/18/1037767518.db2.gz BGVWVKGOOIJLRJ-ZVDOUQERSA-N 2 2 399.510 3.874 20 0 GHADLP COc1cccnc1O[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246957310 1037767537 /nfs/dbraw/zinc/76/75/37/1037767537.db2.gz BGVWVKGOOIJLRJ-ZVDOUQERSA-N 2 2 399.510 3.874 20 0 GHADLP O=C(N[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1)c1ccc(F)cc1 ZINC001246956632 1037768994 /nfs/dbraw/zinc/76/89/94/1037768994.db2.gz ZXIXOEUKGJCMEA-FSSWDIPSSA-N 2 2 381.495 3.513 20 0 GHADLP O=C(N[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1)c1ccc(F)cc1 ZINC001246956632 1037769002 /nfs/dbraw/zinc/76/90/02/1037769002.db2.gz ZXIXOEUKGJCMEA-FSSWDIPSSA-N 2 2 381.495 3.513 20 0 GHADLP O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1)c1ccc(F)cc1 ZINC001246956635 1037770218 /nfs/dbraw/zinc/77/02/18/1037770218.db2.gz ZXIXOEUKGJCMEA-YPAWHYETSA-N 2 2 381.495 3.513 20 0 GHADLP O=C(N[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1)c1ccc(F)cc1 ZINC001246956635 1037770238 /nfs/dbraw/zinc/77/02/38/1037770238.db2.gz ZXIXOEUKGJCMEA-YPAWHYETSA-N 2 2 381.495 3.513 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)nc1 ZINC001246973791 1037796204 /nfs/dbraw/zinc/79/62/04/1037796204.db2.gz OWADIDWUHSAVMW-QKNQBKEWSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)nc1 ZINC001246973791 1037796223 /nfs/dbraw/zinc/79/62/23/1037796223.db2.gz OWADIDWUHSAVMW-QKNQBKEWSA-N 2 2 384.499 3.569 20 0 GHADLP CC(C)[C@@H]1C[C@H]([NH+]2CCN([C@H](C)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001247019729 1037841448 /nfs/dbraw/zinc/84/14/48/1037841448.db2.gz ZRHGGZRMXBYBPA-AHRSYUTCSA-N 2 2 394.401 3.904 20 0 GHADLP [NH3+][C@@H](Cc1ccccc1)c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001247505717 1038230405 /nfs/dbraw/zinc/23/04/05/1038230405.db2.gz XJSRRPRTZKKZMT-VQTJNVASSA-N 2 2 389.434 3.850 20 0 GHADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccnc2NC(=O)OC(C)(C)C)CC1 ZINC001232541821 1038307197 /nfs/dbraw/zinc/30/71/97/1038307197.db2.gz MQHFXQBPCSRJLX-UHFFFAOYSA-N 2 2 397.523 3.871 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4ccoc4cn3)C[C@H]21 ZINC001232551528 1038320583 /nfs/dbraw/zinc/32/05/83/1038320583.db2.gz RAGGYNDASQYMLN-STZQEDGTSA-N 2 2 376.504 3.955 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4ccoc4cn3)C[C@H]21 ZINC001232551528 1038320597 /nfs/dbraw/zinc/32/05/97/1038320597.db2.gz RAGGYNDASQYMLN-STZQEDGTSA-N 2 2 376.504 3.955 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4ccoc4cn3)C[C@H]21 ZINC001232551528 1038320609 /nfs/dbraw/zinc/32/06/09/1038320609.db2.gz RAGGYNDASQYMLN-STZQEDGTSA-N 2 2 376.504 3.955 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4ccoc4cn3)C[C@H]21 ZINC001232551528 1038320625 /nfs/dbraw/zinc/32/06/25/1038320625.db2.gz RAGGYNDASQYMLN-STZQEDGTSA-N 2 2 376.504 3.955 20 0 GHADLP c1cn(-c2ccc(-c3noc([C@@H]4OC5(CC[NH2+]CC5)c5ccccc54)n3)cc2)c[nH+]1 ZINC001247857876 1038428797 /nfs/dbraw/zinc/42/87/97/1038428797.db2.gz GVUFNDZWGWEFND-HXUWFJFHSA-N 2 2 399.454 3.621 20 0 GHADLP FC(F)(F)c1cc(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)ccc1Cl ZINC001247863283 1038434364 /nfs/dbraw/zinc/43/43/64/1038434364.db2.gz ZKCWZTZLHIGANE-CYBMUJFWSA-N 2 2 386.805 3.956 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC001232708735 1038507930 /nfs/dbraw/zinc/50/79/30/1038507930.db2.gz IMMGKHFFNQUXIS-PMACEKPBSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC001232708735 1038507940 /nfs/dbraw/zinc/50/79/40/1038507940.db2.gz IMMGKHFFNQUXIS-PMACEKPBSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC001232708735 1038507945 /nfs/dbraw/zinc/50/79/45/1038507945.db2.gz IMMGKHFFNQUXIS-PMACEKPBSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC001232708735 1038507954 /nfs/dbraw/zinc/50/79/54/1038507954.db2.gz IMMGKHFFNQUXIS-PMACEKPBSA-N 2 2 382.479 3.566 20 0 GHADLP C[NH+]1CCN(Cc2cccc(-c3noc([C@H]4CC[N@@H+]4C4CCCCC4)n3)c2)CC1 ZINC001248034432 1038548911 /nfs/dbraw/zinc/54/89/11/1038548911.db2.gz OQQLGKUDSKCMDW-OAQYLSRUSA-N 2 2 395.551 3.564 20 0 GHADLP C[NH+]1CCN(Cc2cccc(-c3noc([C@H]4CC[N@H+]4C4CCCCC4)n3)c2)CC1 ZINC001248034432 1038548918 /nfs/dbraw/zinc/54/89/18/1038548918.db2.gz OQQLGKUDSKCMDW-OAQYLSRUSA-N 2 2 395.551 3.564 20 0 GHADLP CN1CC[NH+](Cc2cccc(-c3noc([C@H]4CC[N@@H+]4C4CCCCC4)n3)c2)CC1 ZINC001248034432 1038548930 /nfs/dbraw/zinc/54/89/30/1038548930.db2.gz OQQLGKUDSKCMDW-OAQYLSRUSA-N 2 2 395.551 3.564 20 0 GHADLP CN1CC[NH+](Cc2cccc(-c3noc([C@H]4CC[N@H+]4C4CCCCC4)n3)c2)CC1 ZINC001248034432 1038548937 /nfs/dbraw/zinc/54/89/37/1038548937.db2.gz OQQLGKUDSKCMDW-OAQYLSRUSA-N 2 2 395.551 3.564 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(Cl)ncc3O)C[C@@H]21 ZINC001233035623 1038790109 /nfs/dbraw/zinc/79/01/09/1038790109.db2.gz HBQMVYCPMBZITB-ZYSHUDEJSA-N 2 2 386.927 3.568 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(Cl)ncc3O)C[C@@H]21 ZINC001233035623 1038790115 /nfs/dbraw/zinc/79/01/15/1038790115.db2.gz HBQMVYCPMBZITB-ZYSHUDEJSA-N 2 2 386.927 3.568 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Cl)ncc3O)C[C@@H]21 ZINC001233035623 1038790129 /nfs/dbraw/zinc/79/01/29/1038790129.db2.gz HBQMVYCPMBZITB-ZYSHUDEJSA-N 2 2 386.927 3.568 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)ncc3O)C[C@@H]21 ZINC001233035623 1038790142 /nfs/dbraw/zinc/79/01/42/1038790142.db2.gz HBQMVYCPMBZITB-ZYSHUDEJSA-N 2 2 386.927 3.568 20 0 GHADLP Cc1ccc(C)c2nc(Cl)c(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)cc12 ZINC001233134555 1038916213 /nfs/dbraw/zinc/91/62/13/1038916213.db2.gz RBFYZPNIRHIBNH-UHFFFAOYSA-N 2 2 386.971 3.717 20 0 GHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H](O)COc1cccc2ccccc21 ZINC001252385686 1038970319 /nfs/dbraw/zinc/97/03/19/1038970319.db2.gz CZJBEFKGHYCVGC-QFIPXVFZSA-N 2 2 387.483 3.897 20 0 GHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H](O)COc1cccc2ccccc21 ZINC001252385686 1038970320 /nfs/dbraw/zinc/97/03/20/1038970320.db2.gz CZJBEFKGHYCVGC-QFIPXVFZSA-N 2 2 387.483 3.897 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001233299002 1039091208 /nfs/dbraw/zinc/09/12/08/1039091208.db2.gz GWIYKQZICWXCLK-ZHACJKMWSA-N 2 2 390.527 3.896 20 0 GHADLP COC(=O)/C=C/c1ccc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001233299002 1039091228 /nfs/dbraw/zinc/09/12/28/1039091228.db2.gz GWIYKQZICWXCLK-ZHACJKMWSA-N 2 2 390.527 3.896 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cc4cccnc4s2)CC3)cn1 ZINC001233347571 1039160461 /nfs/dbraw/zinc/16/04/61/1039160461.db2.gz SZNOCYHHVUCVND-UHFFFAOYSA-N 2 2 381.549 3.660 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cc4cccnc4s2)CC3)cn1 ZINC001233347571 1039160467 /nfs/dbraw/zinc/16/04/67/1039160467.db2.gz SZNOCYHHVUCVND-UHFFFAOYSA-N 2 2 381.549 3.660 20 0 GHADLP COC(=O)c1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC001233492097 1039385221 /nfs/dbraw/zinc/38/52/21/1039385221.db2.gz XMNKMQJIUJOMJL-UHFFFAOYSA-N 2 2 382.504 3.578 20 0 GHADLP COC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC001233492097 1039385237 /nfs/dbraw/zinc/38/52/37/1039385237.db2.gz XMNKMQJIUJOMJL-UHFFFAOYSA-N 2 2 382.504 3.578 20 0 GHADLP CCCCC[C@H](O)C[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2ccccc2c1 ZINC001253560486 1039704940 /nfs/dbraw/zinc/70/49/40/1039704940.db2.gz MXOCVPVDWXVYLY-VXKWHMMOSA-N 2 2 394.519 3.644 20 0 GHADLP O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001254119180 1039996985 /nfs/dbraw/zinc/99/69/85/1039996985.db2.gz XCSYDRVUYFTZMH-OAQYLSRUSA-N 2 2 395.551 3.744 20 0 GHADLP O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001254119180 1039996989 /nfs/dbraw/zinc/99/69/89/1039996989.db2.gz XCSYDRVUYFTZMH-OAQYLSRUSA-N 2 2 395.551 3.744 20 0 GHADLP O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001254119180 1039996991 /nfs/dbraw/zinc/99/69/91/1039996991.db2.gz XCSYDRVUYFTZMH-OAQYLSRUSA-N 2 2 395.551 3.744 20 0 GHADLP O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001254119180 1039997003 /nfs/dbraw/zinc/99/70/03/1039997003.db2.gz XCSYDRVUYFTZMH-OAQYLSRUSA-N 2 2 395.551 3.744 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001462428441 1070245883 /nfs/dbraw/zinc/24/58/83/1070245883.db2.gz RICLFXDPAQHCJO-MSOLQXFVSA-N 2 2 385.552 3.694 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC001462428441 1070245893 /nfs/dbraw/zinc/24/58/93/1070245893.db2.gz RICLFXDPAQHCJO-MSOLQXFVSA-N 2 2 385.552 3.694 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001254209061 1040064473 /nfs/dbraw/zinc/06/44/73/1040064473.db2.gz JQVQZXZNCSIYKS-QZTJIDSGSA-N 2 2 375.513 3.633 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001254209061 1040064496 /nfs/dbraw/zinc/06/44/96/1040064496.db2.gz JQVQZXZNCSIYKS-QZTJIDSGSA-N 2 2 375.513 3.633 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C3CCC4(CC4)CC3)CC2)C1 ZINC001254449229 1040239009 /nfs/dbraw/zinc/23/90/09/1040239009.db2.gz KAOANXGZGFAEFC-QGZVFWFLSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C3CCC4(CC4)CC3)CC2)C1 ZINC001254449229 1040239019 /nfs/dbraw/zinc/23/90/19/1040239019.db2.gz KAOANXGZGFAEFC-QGZVFWFLSA-N 2 2 377.573 3.773 20 0 GHADLP COc1cc(Cl)ncc1C[NH+]1CCC2(C[NH+](Cc3scnc3C)C2)CC1 ZINC001278785993 1040240596 /nfs/dbraw/zinc/24/05/96/1040240596.db2.gz ZNFGGURVGANFCY-UHFFFAOYSA-N 2 2 392.956 3.607 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1OC ZINC001234963761 1040466970 /nfs/dbraw/zinc/46/69/70/1040466970.db2.gz GPVLRHKTYQVKGZ-XMMPIXPASA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1OC ZINC001234963761 1040466976 /nfs/dbraw/zinc/46/69/76/1040466976.db2.gz GPVLRHKTYQVKGZ-XMMPIXPASA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1OC ZINC001234963761 1040466985 /nfs/dbraw/zinc/46/69/85/1040466985.db2.gz GPVLRHKTYQVKGZ-XMMPIXPASA-N 2 2 394.515 3.580 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1OC ZINC001234963761 1040466997 /nfs/dbraw/zinc/46/69/97/1040466997.db2.gz GPVLRHKTYQVKGZ-XMMPIXPASA-N 2 2 394.515 3.580 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1OC(=O)c1cccs1 ZINC001234990639 1040486039 /nfs/dbraw/zinc/48/60/39/1040486039.db2.gz BXACVGVMEOIPHD-OAQYLSRUSA-N 2 2 386.517 3.551 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1OC(=O)c1cccs1 ZINC001234990639 1040486049 /nfs/dbraw/zinc/48/60/49/1040486049.db2.gz BXACVGVMEOIPHD-OAQYLSRUSA-N 2 2 386.517 3.551 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](n1c[nH+]cc1-c1ccc(C[NH3+])cc1)C2 ZINC001254772963 1040534743 /nfs/dbraw/zinc/53/47/43/1040534743.db2.gz NJOBTOWRWYGCAP-GOSISDBHSA-N 2 2 382.508 3.971 20 0 GHADLP FC(F)(F)c1ccc(Oc2ccc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC001235065067 1040555969 /nfs/dbraw/zinc/55/59/69/1040555969.db2.gz ZYRGLILIOSMJHY-HXUWFJFHSA-N 2 2 391.437 3.635 20 0 GHADLP FC(F)(F)c1ccc(Oc2ccc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC001235065067 1040555985 /nfs/dbraw/zinc/55/59/85/1040555985.db2.gz ZYRGLILIOSMJHY-HXUWFJFHSA-N 2 2 391.437 3.635 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cccc(N4CCCC4)c2)CC3)cn1 ZINC001235086921 1040574297 /nfs/dbraw/zinc/57/42/97/1040574297.db2.gz WSUMGXXACWUFNP-UHFFFAOYSA-N 2 2 393.579 3.651 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cccc(N4CCCC4)c2)CC3)cn1 ZINC001235086921 1040574307 /nfs/dbraw/zinc/57/43/07/1040574307.db2.gz WSUMGXXACWUFNP-UHFFFAOYSA-N 2 2 393.579 3.651 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([NH2+][C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254839562 1040586318 /nfs/dbraw/zinc/58/63/18/1040586318.db2.gz SQJKRPXCZLAQGI-IPJJNNNSSA-N 2 2 377.573 3.630 20 0 GHADLP FC(F)(F)c1cccc(C2(C[NH2+][C@@H]3CC4CC[NH+](CC4)C3)CCOCC2)c1 ZINC001254845659 1040591224 /nfs/dbraw/zinc/59/12/24/1040591224.db2.gz QQQVFLRBTYJPPS-LJQANCHMSA-N 2 2 382.470 3.828 20 0 GHADLP Brc1ccc(CC2([NH2+][C@@H]3CC4CC[NH+](CC4)C3)CCOCC2)cc1 ZINC001254847822 1040592392 /nfs/dbraw/zinc/59/23/92/1040592392.db2.gz JHANVLVXOADIID-LJQANCHMSA-N 2 2 393.369 3.615 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC2(CC[NH+]([C@H]3CC4CC[NH+](CC4)C3)CC2)C1 ZINC001254855179 1040598306 /nfs/dbraw/zinc/59/83/06/1040598306.db2.gz LHFUUVVUDRFLQB-IBGZPJMESA-N 2 2 377.573 3.584 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(Oc5cccnc5)cc4)C[C@H]3C2)nc1 ZINC001235113354 1040598365 /nfs/dbraw/zinc/59/83/65/1040598365.db2.gz YJFMEXYOSCUSDM-SFTDATJTSA-N 2 2 386.499 3.833 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001254887650 1040638818 /nfs/dbraw/zinc/63/88/18/1040638818.db2.gz SVLZUEGQBQHWJZ-REPLKXPHSA-N 2 2 382.508 3.607 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](n3c[nH+]cc3-c3cccc(C[NH3+])c3)C[C@@H]2C1 ZINC001254902172 1040657479 /nfs/dbraw/zinc/65/74/79/1040657479.db2.gz QYUIZWLWLJOGJD-BWTSREIZSA-N 2 2 382.508 3.827 20 0 GHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CC[NH+](CC4CCOCC4)CC2)C3)cc1 ZINC001255132852 1040827235 /nfs/dbraw/zinc/82/72/35/1040827235.db2.gz WXKQKQDKTAYMCG-QEIWAGNOSA-N 3 2 397.607 3.663 20 0 GHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CC[NH+](CC4CCOCC4)CC2)C3)cc1 ZINC001255132852 1040827241 /nfs/dbraw/zinc/82/72/41/1040827241.db2.gz WXKQKQDKTAYMCG-QEIWAGNOSA-N 3 2 397.607 3.663 20 0 GHADLP Clc1cc2c(cc1C[N@@H+]1CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C1)OCO2 ZINC001235361240 1040847103 /nfs/dbraw/zinc/84/71/03/1040847103.db2.gz DKSMXOIERPZRPC-AVRDEDQJSA-N 2 2 384.907 3.822 20 0 GHADLP Clc1cc2c(cc1C[N@H+]1CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C1)OCO2 ZINC001235361240 1040847125 /nfs/dbraw/zinc/84/71/25/1040847125.db2.gz DKSMXOIERPZRPC-AVRDEDQJSA-N 2 2 384.907 3.822 20 0 GHADLP Clc1ccc2c(C[N@@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)c[nH]c2n1 ZINC001235364891 1040857583 /nfs/dbraw/zinc/85/75/83/1040857583.db2.gz ABXROJXYJXVYTN-GCJKJVERSA-N 2 2 380.923 3.970 20 0 GHADLP Clc1ccc2c(C[N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)c[nH]c2n1 ZINC001235364891 1040857602 /nfs/dbraw/zinc/85/76/02/1040857602.db2.gz ABXROJXYJXVYTN-GCJKJVERSA-N 2 2 380.923 3.970 20 0 GHADLP C[N@H+](C1CN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255146074 1040860213 /nfs/dbraw/zinc/86/02/13/1040860213.db2.gz BZUMSEBOYTWWKF-ACDBMABISA-N 2 2 385.552 3.733 20 0 GHADLP C[N@@H+](C1CN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255146074 1040860240 /nfs/dbraw/zinc/86/02/40/1040860240.db2.gz BZUMSEBOYTWWKF-ACDBMABISA-N 2 2 385.552 3.733 20 0 GHADLP C[NH+](C1CN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255146074 1040860256 /nfs/dbraw/zinc/86/02/56/1040860256.db2.gz BZUMSEBOYTWWKF-ACDBMABISA-N 2 2 385.552 3.733 20 0 GHADLP C[NH+](C1CN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255146074 1040860268 /nfs/dbraw/zinc/86/02/68/1040860268.db2.gz BZUMSEBOYTWWKF-ACDBMABISA-N 2 2 385.552 3.733 20 0 GHADLP Cc1c(Cl)c(Br)ccc1C[N@@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001235401154 1040914548 /nfs/dbraw/zinc/91/45/48/1040914548.db2.gz GBVREQIGVQFMTI-STQMWFEESA-N 2 2 375.713 3.920 20 0 GHADLP Cc1c(Cl)c(Br)ccc1C[N@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001235401154 1040914566 /nfs/dbraw/zinc/91/45/66/1040914566.db2.gz GBVREQIGVQFMTI-STQMWFEESA-N 2 2 375.713 3.920 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]Cc3ccccc3C[NH+]3CCOCC3)CC2)cc1 ZINC001255381984 1040972785 /nfs/dbraw/zinc/97/27/85/1040972785.db2.gz AUCPJYJJGYINMH-VWLOTQADSA-N 3 2 393.575 3.663 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]Cc3ccccc3C[NH+]3CCOCC3)CC2)cc1 ZINC001255381984 1040972787 /nfs/dbraw/zinc/97/27/87/1040972787.db2.gz AUCPJYJJGYINMH-VWLOTQADSA-N 3 2 393.575 3.663 20 0 GHADLP COC(=O)c1cccc2c1C[N@@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)CC2 ZINC001255408987 1040996147 /nfs/dbraw/zinc/99/61/47/1040996147.db2.gz RNNMUVIBGPROLF-NRFANRHFSA-N 2 2 378.516 3.886 20 0 GHADLP COC(=O)c1cccc2c1C[N@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)CC2 ZINC001255408987 1040996160 /nfs/dbraw/zinc/99/61/60/1040996160.db2.gz RNNMUVIBGPROLF-NRFANRHFSA-N 2 2 378.516 3.886 20 0 GHADLP COC(=O)c1cccc2c1C[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255408987 1040996170 /nfs/dbraw/zinc/99/61/70/1040996170.db2.gz RNNMUVIBGPROLF-NRFANRHFSA-N 2 2 378.516 3.886 20 0 GHADLP COC(=O)c1cccc2c1C[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255408987 1040996175 /nfs/dbraw/zinc/99/61/75/1040996175.db2.gz RNNMUVIBGPROLF-NRFANRHFSA-N 2 2 378.516 3.886 20 0 GHADLP CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)c2ccccc21 ZINC001235615478 1041037368 /nfs/dbraw/zinc/03/73/68/1041037368.db2.gz MATYMTLHSOYNGV-RTWAWAEBSA-N 2 2 397.607 3.908 20 0 GHADLP COc1c(Cl)cccc1C[N@@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235645570 1041083610 /nfs/dbraw/zinc/08/36/10/1041083610.db2.gz DAQULDHREQMDCG-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP COc1c(Cl)cccc1C[N@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235645570 1041083628 /nfs/dbraw/zinc/08/36/28/1041083628.db2.gz DAQULDHREQMDCG-UHFFFAOYSA-N 2 2 388.943 3.983 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c(F)ccc(N)c3F)C[C@H]21 ZINC001235660601 1041110791 /nfs/dbraw/zinc/11/07/91/1041110791.db2.gz HHSNUQRFUMKNIR-LUQKVYGDSA-N 2 2 386.490 3.675 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c(F)ccc(N)c3F)C[C@H]21 ZINC001235660601 1041110817 /nfs/dbraw/zinc/11/08/17/1041110817.db2.gz HHSNUQRFUMKNIR-LUQKVYGDSA-N 2 2 386.490 3.675 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3c(F)ccc(N)c3F)C[C@H]21 ZINC001235660601 1041110840 /nfs/dbraw/zinc/11/08/40/1041110840.db2.gz HHSNUQRFUMKNIR-LUQKVYGDSA-N 2 2 386.490 3.675 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c(F)ccc(N)c3F)C[C@H]21 ZINC001235660601 1041110862 /nfs/dbraw/zinc/11/08/62/1041110862.db2.gz HHSNUQRFUMKNIR-LUQKVYGDSA-N 2 2 386.490 3.675 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)Cc3cnc4ccccc4n3)cc2)C[C@H](C)O1 ZINC001462527780 1070330732 /nfs/dbraw/zinc/33/07/32/1070330732.db2.gz MZJKHGLKFNTSGP-KDURUIRLSA-N 2 2 390.531 3.871 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3cnc4ccccc4n3)cc2)C[C@H](C)O1 ZINC001462527780 1070330750 /nfs/dbraw/zinc/33/07/50/1070330750.db2.gz MZJKHGLKFNTSGP-KDURUIRLSA-N 2 2 390.531 3.871 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3cnc4ccccc4n3)cc2)C[C@H](C)O1 ZINC001462527780 1070330767 /nfs/dbraw/zinc/33/07/67/1070330767.db2.gz MZJKHGLKFNTSGP-KDURUIRLSA-N 2 2 390.531 3.871 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3cnc4ccccc4n3)cc2)C[C@H](C)O1 ZINC001462527780 1070330786 /nfs/dbraw/zinc/33/07/86/1070330786.db2.gz MZJKHGLKFNTSGP-KDURUIRLSA-N 2 2 390.531 3.871 20 0 GHADLP COCCC[N@H+](Cc1ccc(OC(F)(F)C(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235807388 1041315119 /nfs/dbraw/zinc/31/51/19/1041315119.db2.gz UQNNPQDSKIUBCS-OAHLLOKOSA-N 2 2 378.410 3.514 20 0 GHADLP COCCC[N@@H+](Cc1ccc(OC(F)(F)C(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235807388 1041315131 /nfs/dbraw/zinc/31/51/31/1041315131.db2.gz UQNNPQDSKIUBCS-OAHLLOKOSA-N 2 2 378.410 3.514 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001255961394 1041440052 /nfs/dbraw/zinc/44/00/52/1041440052.db2.gz DAKKNTGPHVQMJM-FYYLOGMGSA-N 3 2 387.612 3.862 20 0 GHADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001255961394 1041440058 /nfs/dbraw/zinc/44/00/58/1041440058.db2.gz DAKKNTGPHVQMJM-FYYLOGMGSA-N 3 2 387.612 3.862 20 0 GHADLP COCCC[N@H+](Cc1cc(F)c(Br)cc1Cl)C1CC[NH2+]CC1 ZINC001235936802 1041442271 /nfs/dbraw/zinc/44/22/71/1041442271.db2.gz FPRVMYRBEGAUDJ-UHFFFAOYSA-N 2 2 393.728 3.832 20 0 GHADLP COCCC[N@@H+](Cc1cc(F)c(Br)cc1Cl)C1CC[NH2+]CC1 ZINC001235936802 1041442302 /nfs/dbraw/zinc/44/23/02/1041442302.db2.gz FPRVMYRBEGAUDJ-UHFFFAOYSA-N 2 2 393.728 3.832 20 0 GHADLP COCCC[N@H+](Cc1ccc(Br)c(Cl)c1F)C1CC[NH2+]CC1 ZINC001235939973 1041446241 /nfs/dbraw/zinc/44/62/41/1041446241.db2.gz KORZKCBJFXXGKR-UHFFFAOYSA-N 2 2 393.728 3.832 20 0 GHADLP COCCC[N@@H+](Cc1ccc(Br)c(Cl)c1F)C1CC[NH2+]CC1 ZINC001235939973 1041446251 /nfs/dbraw/zinc/44/62/51/1041446251.db2.gz KORZKCBJFXXGKR-UHFFFAOYSA-N 2 2 393.728 3.832 20 0 GHADLP O=C(NC1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1)c1ccccc1C(F)(F)F ZINC001256083015 1041514098 /nfs/dbraw/zinc/51/40/98/1041514098.db2.gz OZTBIQUVEDVKKM-UHFFFAOYSA-N 2 2 395.469 3.526 20 0 GHADLP CC(C)C[N@H+](C1CC[NH+](C2CC2)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001256082136 1041514194 /nfs/dbraw/zinc/51/41/94/1041514194.db2.gz TTXHZPQTQUAANV-HXUWFJFHSA-N 2 2 379.589 3.971 20 0 GHADLP CC(C)C[N@@H+](C1CC[NH+](C2CC2)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001256082136 1041514203 /nfs/dbraw/zinc/51/42/03/1041514203.db2.gz TTXHZPQTQUAANV-HXUWFJFHSA-N 2 2 379.589 3.971 20 0 GHADLP c1c(C[NH+]2CCN(Cc3ccc4ccccc4c3)CC2)sc2c1CC[NH2+]C2 ZINC001236088341 1041528435 /nfs/dbraw/zinc/52/84/35/1041528435.db2.gz FCKFRDFRTJWIIE-UHFFFAOYSA-N 2 2 377.557 3.865 20 0 GHADLP c1cnn(Cc2c[nH+]c3n2CC[N@H+]([C@@H]2CCC[C@H](c4ccccc4)C2)CC3)c1 ZINC001256117392 1041549002 /nfs/dbraw/zinc/54/90/02/1041549002.db2.gz RMLDGSLZHQQACP-LEWJYISDSA-N 2 2 375.520 3.712 20 0 GHADLP c1cnn(Cc2c[nH+]c3n2CC[N@@H+]([C@@H]2CCC[C@H](c4ccccc4)C2)CC3)c1 ZINC001256117392 1041549014 /nfs/dbraw/zinc/54/90/14/1041549014.db2.gz RMLDGSLZHQQACP-LEWJYISDSA-N 2 2 375.520 3.712 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236215115 1041626186 /nfs/dbraw/zinc/62/61/86/1041626186.db2.gz HJYQGPGAIGRATP-RTWAWAEBSA-N 2 2 382.504 3.754 20 0 GHADLP COC(=O)c1ccc(COc2ccccc2C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236215115 1041626187 /nfs/dbraw/zinc/62/61/87/1041626187.db2.gz HJYQGPGAIGRATP-RTWAWAEBSA-N 2 2 382.504 3.754 20 0 GHADLP CCOC(=O)Cc1ccc(C[N@H+](Cc2ccccc2F)C2CC[NH2+]CC2)cc1 ZINC001236370356 1041685245 /nfs/dbraw/zinc/68/52/45/1041685245.db2.gz DQPPWOOMCHKVAJ-UHFFFAOYSA-N 2 2 384.495 3.686 20 0 GHADLP CCOC(=O)Cc1ccc(C[N@@H+](Cc2ccccc2F)C2CC[NH2+]CC2)cc1 ZINC001236370356 1041685248 /nfs/dbraw/zinc/68/52/48/1041685248.db2.gz DQPPWOOMCHKVAJ-UHFFFAOYSA-N 2 2 384.495 3.686 20 0 GHADLP COc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(Br)c1O ZINC001236377339 1041688412 /nfs/dbraw/zinc/68/84/12/1041688412.db2.gz ZKTHJKAYHOYYKA-CQSZACIVSA-N 2 2 397.357 3.908 20 0 GHADLP COc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(Br)c1O ZINC001236377339 1041688419 /nfs/dbraw/zinc/68/84/19/1041688419.db2.gz ZKTHJKAYHOYYKA-CQSZACIVSA-N 2 2 397.357 3.908 20 0 GHADLP Clc1ccc(N2CCC([N@H+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)CC2)cc1 ZINC001256309869 1041696410 /nfs/dbraw/zinc/69/64/10/1041696410.db2.gz KBINPJXOGPQUKO-KDURUIRLSA-N 2 2 396.966 3.768 20 0 GHADLP Clc1ccc(N2CCC([N@@H+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)CC2)cc1 ZINC001256309869 1041696416 /nfs/dbraw/zinc/69/64/16/1041696416.db2.gz KBINPJXOGPQUKO-KDURUIRLSA-N 2 2 396.966 3.768 20 0 GHADLP Clc1ccc(N2CCC([NH+]3C[C@H]4C[N@@H+](Cc5ccccn5)C[C@H]4C3)CC2)cc1 ZINC001256309869 1041696420 /nfs/dbraw/zinc/69/64/20/1041696420.db2.gz KBINPJXOGPQUKO-KDURUIRLSA-N 2 2 396.966 3.768 20 0 GHADLP Clc1ccc(N2CCC([NH+]3C[C@H]4C[N@H+](Cc5ccccn5)C[C@H]4C3)CC2)cc1 ZINC001256309869 1041696426 /nfs/dbraw/zinc/69/64/26/1041696426.db2.gz KBINPJXOGPQUKO-KDURUIRLSA-N 2 2 396.966 3.768 20 0 GHADLP C[NH+](C)CCC[NH+](CCC[NH+](C)C)C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256314592 1041699092 /nfs/dbraw/zinc/69/90/92/1041699092.db2.gz LAEWGDVDOUHJPR-UHFFFAOYSA-N 3 2 381.008 3.514 20 0 GHADLP Cc1cc(F)ccc1C[N@H+](Cc1ccc(N2CCCC2)nc1)C1CC[NH2+]CC1 ZINC001236522403 1041752321 /nfs/dbraw/zinc/75/23/21/1041752321.db2.gz UBJBAJRFLFLAQE-UHFFFAOYSA-N 2 2 382.527 3.884 20 0 GHADLP Cc1cc(F)ccc1C[N@@H+](Cc1ccc(N2CCCC2)nc1)C1CC[NH2+]CC1 ZINC001236522403 1041752329 /nfs/dbraw/zinc/75/23/29/1041752329.db2.gz UBJBAJRFLFLAQE-UHFFFAOYSA-N 2 2 382.527 3.884 20 0 GHADLP COc1ccc2sc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)cc2c1 ZINC001236657892 1041808238 /nfs/dbraw/zinc/80/82/38/1041808238.db2.gz LGJBQKCXMNMKPI-HDICACEKSA-N 2 2 379.529 3.869 20 0 GHADLP COc1ccc2sc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)cc2c1 ZINC001236657892 1041808243 /nfs/dbraw/zinc/80/82/43/1041808243.db2.gz LGJBQKCXMNMKPI-HDICACEKSA-N 2 2 379.529 3.869 20 0 GHADLP COc1ccc2sc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccn5)C[C@H]4C3)cc2c1 ZINC001236657892 1041808249 /nfs/dbraw/zinc/80/82/49/1041808249.db2.gz LGJBQKCXMNMKPI-HDICACEKSA-N 2 2 379.529 3.869 20 0 GHADLP COc1ccc2sc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccn5)C[C@H]4C3)cc2c1 ZINC001236657892 1041808252 /nfs/dbraw/zinc/80/82/52/1041808252.db2.gz LGJBQKCXMNMKPI-HDICACEKSA-N 2 2 379.529 3.869 20 0 GHADLP COC(=O)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@H]1c1ccccc1 ZINC001236911262 1041953164 /nfs/dbraw/zinc/95/31/64/1041953164.db2.gz WXMUHZKKUHPAOL-RBUKOAKNSA-N 2 2 395.890 3.914 20 0 GHADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@H]1c1ccccc1 ZINC001236911262 1041953166 /nfs/dbraw/zinc/95/31/66/1041953166.db2.gz WXMUHZKKUHPAOL-RBUKOAKNSA-N 2 2 395.890 3.914 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1CN1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001236915849 1041956536 /nfs/dbraw/zinc/95/65/36/1041956536.db2.gz FPPNOFLYJVOTNO-UHFFFAOYSA-N 2 2 378.907 3.844 20 0 GHADLP O=C1[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C[C@H]2CN1c1ccccc1 ZINC001236917165 1041957387 /nfs/dbraw/zinc/95/73/87/1041957387.db2.gz IAFIOZTUVMFUFA-PXNSSMCTSA-N 2 2 392.890 3.621 20 0 GHADLP O=C1[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C[C@H]2CN1c1ccccc1 ZINC001236917165 1041957391 /nfs/dbraw/zinc/95/73/91/1041957391.db2.gz IAFIOZTUVMFUFA-PXNSSMCTSA-N 2 2 392.890 3.621 20 0 GHADLP Fc1ccccc1-c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cn1 ZINC001236989536 1041980207 /nfs/dbraw/zinc/98/02/07/1041980207.db2.gz PYUNKOUQNNHQSJ-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccccc1-c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cn1 ZINC001236989536 1041980211 /nfs/dbraw/zinc/98/02/11/1041980211.db2.gz PYUNKOUQNNHQSJ-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccccc1-c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)cn1 ZINC001236989536 1041980213 /nfs/dbraw/zinc/98/02/13/1041980213.db2.gz PYUNKOUQNNHQSJ-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP Fc1ccccc1-c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)cn1 ZINC001236989536 1041980218 /nfs/dbraw/zinc/98/02/18/1041980218.db2.gz PYUNKOUQNNHQSJ-OYRHEFFESA-N 2 2 388.490 3.847 20 0 GHADLP C[NH+]1CCN(c2cc(Br)ccc2C[NH+]2CCC(C)(F)CC2)CC1 ZINC001237092156 1042031787 /nfs/dbraw/zinc/03/17/87/1042031787.db2.gz JNIIBPGIWUWTPV-UHFFFAOYSA-N 2 2 384.337 3.525 20 0 GHADLP CN(C)C(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(C4CCC4)cc3)CC2)CC1 ZINC001237105301 1042039472 /nfs/dbraw/zinc/03/94/72/1042039472.db2.gz LQPBPMMXMMVXKU-UHFFFAOYSA-N 2 2 383.580 3.719 20 0 GHADLP Brc1cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)ccc1-n1cccn1 ZINC001237154765 1042067781 /nfs/dbraw/zinc/06/77/81/1042067781.db2.gz FWGGIIIHQBEBBC-QGZVFWFLSA-N 2 2 389.341 3.741 20 0 GHADLP Brc1cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)ccc1-n1cccn1 ZINC001237154765 1042067785 /nfs/dbraw/zinc/06/77/85/1042067785.db2.gz FWGGIIIHQBEBBC-QGZVFWFLSA-N 2 2 389.341 3.741 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237289772 1042126458 /nfs/dbraw/zinc/12/64/58/1042126458.db2.gz TWRVCETVPQVSLS-UHFFFAOYSA-N 3 2 396.604 3.556 20 0 GHADLP c1ccc2c(c1)CC1(CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC1)N2 ZINC001237343582 1042157902 /nfs/dbraw/zinc/15/79/02/1042157902.db2.gz VMIFYWXNKXMEQR-UHFFFAOYSA-N 2 2 377.532 3.522 20 0 GHADLP CCOC(=O)[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2Cl)CCC12C[NH2+]C2 ZINC001237430669 1042205674 /nfs/dbraw/zinc/20/56/74/1042205674.db2.gz LXIRXFGDPWPPKQ-CYBMUJFWSA-N 2 2 391.726 3.621 20 0 GHADLP CCOC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2Cl)CCC12C[NH2+]C2 ZINC001237430669 1042205678 /nfs/dbraw/zinc/20/56/78/1042205678.db2.gz LXIRXFGDPWPPKQ-CYBMUJFWSA-N 2 2 391.726 3.621 20 0 GHADLP c1ccc(C2CCOCC2)c(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001237895021 1042413266 /nfs/dbraw/zinc/41/32/66/1042413266.db2.gz JMTXPJOGLYCKLI-ZRZAMGCNSA-N 2 2 377.532 3.539 20 0 GHADLP c1ccc(C2CCOCC2)c(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001237895021 1042413268 /nfs/dbraw/zinc/41/32/68/1042413268.db2.gz JMTXPJOGLYCKLI-ZRZAMGCNSA-N 2 2 377.532 3.539 20 0 GHADLP c1ccc(C2CCOCC2)c(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001237895021 1042413272 /nfs/dbraw/zinc/41/32/72/1042413272.db2.gz JMTXPJOGLYCKLI-ZRZAMGCNSA-N 2 2 377.532 3.539 20 0 GHADLP c1ccc(C2CCOCC2)c(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001237895021 1042413273 /nfs/dbraw/zinc/41/32/73/1042413273.db2.gz JMTXPJOGLYCKLI-ZRZAMGCNSA-N 2 2 377.532 3.539 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1 ZINC001238108407 1042494467 /nfs/dbraw/zinc/49/44/67/1042494467.db2.gz VSYFBTSMGNSYEB-WIYYLYMNSA-N 2 2 388.487 3.505 20 0 GHADLP CC[NH+](CC)CCn1cc(-c2ccc(-c3nc4c(o3)CC[N@H+](C)C4)cc2)cn1 ZINC001239217445 1042788051 /nfs/dbraw/zinc/78/80/51/1042788051.db2.gz XTBJGFWGFNXJDJ-UHFFFAOYSA-N 2 2 379.508 3.535 20 0 GHADLP CC[NH+](CC)CCn1cc(-c2ccc(-c3nc4c(o3)CC[N@@H+](C)C4)cc2)cn1 ZINC001239217445 1042788056 /nfs/dbraw/zinc/78/80/56/1042788056.db2.gz XTBJGFWGFNXJDJ-UHFFFAOYSA-N 2 2 379.508 3.535 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](CC2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC001291799958 1043473278 /nfs/dbraw/zinc/47/32/78/1043473278.db2.gz WRNBMUNBTZZFKP-IBGZPJMESA-N 2 2 397.485 3.643 20 0 GHADLP C[C@@H]1C[C@@H](N2CC[NH+](Cc3ccccc3F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256550416 1043514452 /nfs/dbraw/zinc/51/44/52/1043514452.db2.gz MHYDYVMWSPJFBN-OFNKIYASSA-N 2 2 381.539 3.996 20 0 GHADLP C[C@@H]1C[C@@H](N2CC[NH+](Cc3ccccc3F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256550416 1043514464 /nfs/dbraw/zinc/51/44/64/1043514464.db2.gz MHYDYVMWSPJFBN-OFNKIYASSA-N 2 2 381.539 3.996 20 0 GHADLP COc1cccc(CC2([NH3+])CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001256602009 1043565810 /nfs/dbraw/zinc/56/58/10/1043565810.db2.gz NFAFCFJILCSFSA-UHFFFAOYSA-N 3 2 393.575 3.696 20 0 GHADLP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC001256606466 1043571367 /nfs/dbraw/zinc/57/13/67/1043571367.db2.gz WAAUWTATJQPGIN-BJKOFHAPSA-N 2 2 379.548 3.901 20 0 GHADLP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC001256606466 1043571376 /nfs/dbraw/zinc/57/13/76/1043571376.db2.gz WAAUWTATJQPGIN-BJKOFHAPSA-N 2 2 379.548 3.901 20 0 GHADLP CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256610236 1043574092 /nfs/dbraw/zinc/57/40/92/1043574092.db2.gz AHCTWSFEECCFPZ-UHFFFAOYSA-N 2 2 385.552 3.640 20 0 GHADLP C[C@@H](Cc1ccncc1)[NH2+]C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001256723776 1043637386 /nfs/dbraw/zinc/63/73/86/1043637386.db2.gz GGHHAIMBZOEEMB-SQJMNOBHSA-N 2 2 389.543 3.666 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256803413 1043660716 /nfs/dbraw/zinc/66/07/16/1043660716.db2.gz IYKISAMEQKHAJH-CJRSTVEYSA-N 2 2 380.532 3.786 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256803413 1043660725 /nfs/dbraw/zinc/66/07/25/1043660725.db2.gz IYKISAMEQKHAJH-CJRSTVEYSA-N 2 2 380.532 3.786 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256803415 1043661210 /nfs/dbraw/zinc/66/12/10/1043661210.db2.gz IYKISAMEQKHAJH-NAVOZUGXSA-N 2 2 380.532 3.786 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256803415 1043661218 /nfs/dbraw/zinc/66/12/18/1043661218.db2.gz IYKISAMEQKHAJH-NAVOZUGXSA-N 2 2 380.532 3.786 20 0 GHADLP CCOC(=O)c1ccc(C[C@H](C)[NH2+]CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001257152177 1043900593 /nfs/dbraw/zinc/90/05/93/1043900593.db2.gz UFZZNUJOYHPIPD-SFHVURJKSA-N 2 2 381.520 3.696 20 0 GHADLP CCC[C@@H](C)CC[C@@H](C)[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001257486199 1044014095 /nfs/dbraw/zinc/01/40/95/1044014095.db2.gz TVQHSKITXIFNIE-FGZHOGPDSA-N 3 2 392.676 3.768 20 0 GHADLP C[N@H+](C1CC[NH+](C)CC1)C1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257770053 1044159601 /nfs/dbraw/zinc/15/96/01/1044159601.db2.gz OWTCSSWBJMYTEK-UHFFFAOYSA-N 2 2 379.589 3.972 20 0 GHADLP C[N@@H+](C1CC[NH+](C)CC1)C1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257770053 1044159607 /nfs/dbraw/zinc/15/96/07/1044159607.db2.gz OWTCSSWBJMYTEK-UHFFFAOYSA-N 2 2 379.589 3.972 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)C2 ZINC001257805685 1044187849 /nfs/dbraw/zinc/18/78/49/1044187849.db2.gz QYEFCLCJLNHUJN-IPJJNNNSSA-N 2 2 377.573 3.630 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC001257805685 1044187854 /nfs/dbraw/zinc/18/78/54/1044187854.db2.gz QYEFCLCJLNHUJN-IPJJNNNSSA-N 2 2 377.573 3.630 20 0 GHADLP O[C@H](C[NH2+]C1CCC2(COC2)CC1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001257898874 1044251789 /nfs/dbraw/zinc/25/17/89/1044251789.db2.gz AVYSSNRGWZYKFE-XMMPIXPASA-N 2 2 394.559 3.599 20 0 GHADLP CC(C)C[NH+]1CCC([NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001258012834 1044340269 /nfs/dbraw/zinc/34/02/69/1044340269.db2.gz YZKWJVBQTMXZLR-XMMPIXPASA-N 3 2 399.623 3.862 20 0 GHADLP CC(C)C[NH+]1CCC([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001258012834 1044340283 /nfs/dbraw/zinc/34/02/83/1044340283.db2.gz YZKWJVBQTMXZLR-XMMPIXPASA-N 3 2 399.623 3.862 20 0 GHADLP C[C@H](CC1CC1)[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001258473534 1044575051 /nfs/dbraw/zinc/57/50/51/1044575051.db2.gz WEWMRGAKQVACQX-QGZVFWFLSA-N 2 2 379.589 3.971 20 0 GHADLP C[C@H](CC1CC1)[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001258473534 1044575069 /nfs/dbraw/zinc/57/50/69/1044575069.db2.gz WEWMRGAKQVACQX-QGZVFWFLSA-N 2 2 379.589 3.971 20 0 GHADLP O=C1CC[C@@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CCN1Cc1ccccc1 ZINC001258581393 1044657060 /nfs/dbraw/zinc/65/70/60/1044657060.db2.gz NHCBLMYZFDCMCN-HXUWFJFHSA-N 2 2 379.504 3.506 20 0 GHADLP C[C@@H](Cc1cccnc1)[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001258627963 1044676670 /nfs/dbraw/zinc/67/66/70/1044676670.db2.gz VOHKRDSUNBVIBD-GHTZIAJQSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@@H](Cc1cccnc1)[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001258627963 1044676679 /nfs/dbraw/zinc/67/66/79/1044676679.db2.gz VOHKRDSUNBVIBD-GHTZIAJQSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@@H](Cc1cccnc1)[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001258627963 1044676691 /nfs/dbraw/zinc/67/66/91/1044676691.db2.gz VOHKRDSUNBVIBD-GHTZIAJQSA-N 2 2 386.490 3.641 20 0 GHADLP C[C@@H](Cc1cccnc1)[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001258627963 1044676702 /nfs/dbraw/zinc/67/67/02/1044676702.db2.gz VOHKRDSUNBVIBD-GHTZIAJQSA-N 2 2 386.490 3.641 20 0 GHADLP CCC[C@H](Cc1ccccc1)[NH2+]C1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001258652132 1044691432 /nfs/dbraw/zinc/69/14/32/1044691432.db2.gz OMRVYXBMBRRJOG-JOCHJYFZSA-N 2 2 379.548 3.508 20 0 GHADLP CC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000590126541 1047211505 /nfs/dbraw/zinc/21/15/05/1047211505.db2.gz NCCZXSCWGLQCIE-HXUWFJFHSA-N 2 2 391.353 3.764 20 0 GHADLP CC[N@H+](Cc1cccc(Br)c1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000590126541 1047211525 /nfs/dbraw/zinc/21/15/25/1047211525.db2.gz NCCZXSCWGLQCIE-HXUWFJFHSA-N 2 2 391.353 3.764 20 0 GHADLP CC[NH+](Cc1cccc(Br)c1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000590126541 1047211543 /nfs/dbraw/zinc/21/15/43/1047211543.db2.gz NCCZXSCWGLQCIE-HXUWFJFHSA-N 2 2 391.353 3.764 20 0 GHADLP CC[NH+](Cc1cccc(Br)c1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000590126541 1047211556 /nfs/dbraw/zinc/21/15/56/1047211556.db2.gz NCCZXSCWGLQCIE-HXUWFJFHSA-N 2 2 391.353 3.764 20 0 GHADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)c(Cl)c(Cl)c1)C2 ZINC001279385544 1047788682 /nfs/dbraw/zinc/78/86/82/1047788682.db2.gz XSAMZEUSJMWZLW-KGLIPLIRSA-N 2 2 376.759 3.715 20 0 GHADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)c(Cl)c(Cl)c1)C2 ZINC001279385544 1047788687 /nfs/dbraw/zinc/78/86/87/1047788687.db2.gz XSAMZEUSJMWZLW-KGLIPLIRSA-N 2 2 376.759 3.715 20 0 GHADLP Brc1ncccc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2 ZINC001279417430 1047798292 /nfs/dbraw/zinc/79/82/92/1047798292.db2.gz RUVAECGDSQFARV-RBUKOAKNSA-N 2 2 389.341 3.897 20 0 GHADLP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(F)cc(F)cc3Cl)(C1)CCC2 ZINC001279469504 1047817711 /nfs/dbraw/zinc/81/77/11/1047817711.db2.gz QLUBZAKTSKLAIJ-MOPGFXCFSA-N 2 2 388.886 3.763 20 0 GHADLP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(Cl)cnc3Cl)(C1)CCC2 ZINC001279708298 1047927666 /nfs/dbraw/zinc/92/76/66/1047927666.db2.gz QXJVRDLFRGMJQA-MSOLQXFVSA-N 2 2 388.339 3.534 20 0 GHADLP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC001306883735 1048943724 /nfs/dbraw/zinc/94/37/24/1048943724.db2.gz CUALCCKLYMPGPN-WMZHIEFXSA-N 2 2 395.547 3.640 20 0 GHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CN(C4CCCCC4)C(=O)O3)C2)CC1 ZINC001307440816 1049277253 /nfs/dbraw/zinc/27/72/53/1049277253.db2.gz TYJAYRHOVMAFFN-PZJWPPBQSA-N 2 2 377.573 3.584 20 0 GHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CN(C4CCCCC4)C(=O)O3)C2)CC1 ZINC001307440816 1049277263 /nfs/dbraw/zinc/27/72/63/1049277263.db2.gz TYJAYRHOVMAFFN-PZJWPPBQSA-N 2 2 377.573 3.584 20 0 GHADLP C[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001307524186 1049368927 /nfs/dbraw/zinc/36/89/27/1049368927.db2.gz TZPRUJPAVAQLPP-HMXCVIKNSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001307524186 1049368937 /nfs/dbraw/zinc/36/89/37/1049368937.db2.gz TZPRUJPAVAQLPP-HMXCVIKNSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001307524186 1049368953 /nfs/dbraw/zinc/36/89/53/1049368953.db2.gz TZPRUJPAVAQLPP-HMXCVIKNSA-N 2 2 387.568 3.886 20 0 GHADLP C[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001307524186 1049368970 /nfs/dbraw/zinc/36/89/70/1049368970.db2.gz TZPRUJPAVAQLPP-HMXCVIKNSA-N 2 2 387.568 3.886 20 0 GHADLP CC[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)[C@@H]1CC1(C)C ZINC001307851959 1049634400 /nfs/dbraw/zinc/63/44/00/1049634400.db2.gz GXUDZZUZZYUUBX-IRXDYDNUSA-N 2 2 378.586 3.728 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC001308165158 1049896371 /nfs/dbraw/zinc/89/63/71/1049896371.db2.gz LBBJXMANNIYESM-GHTZIAJQSA-N 2 2 380.536 3.837 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC001308165158 1049896373 /nfs/dbraw/zinc/89/63/73/1049896373.db2.gz LBBJXMANNIYESM-GHTZIAJQSA-N 2 2 380.536 3.837 20 0 GHADLP FC(F)(F)c1nc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c2n1CCCC2 ZINC001308194390 1049907848 /nfs/dbraw/zinc/90/78/48/1049907848.db2.gz BVSKJMXLAHYIDI-UHFFFAOYSA-N 2 2 389.425 3.773 20 0 GHADLP COc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)c(Br)c1O ZINC001308245310 1049924773 /nfs/dbraw/zinc/92/47/73/1049924773.db2.gz VIOAZQXJBQOEEL-UHFFFAOYSA-N 2 2 380.286 3.540 20 0 GHADLP Cc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1Br ZINC001308330227 1049950635 /nfs/dbraw/zinc/95/06/35/1049950635.db2.gz JNBSGLYDEQZOLA-QZTJIDSGSA-N 2 2 381.358 3.615 20 0 GHADLP COc1cc(Br)c(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1OC ZINC001308367297 1049959501 /nfs/dbraw/zinc/95/95/01/1049959501.db2.gz SGFDHZPAOTUXIT-AWEZNQCLSA-N 2 2 385.346 3.820 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)CC(F)F ZINC001308467356 1049983075 /nfs/dbraw/zinc/98/30/75/1049983075.db2.gz ZZAVIHDNXXJYJA-GDBMZVCRSA-N 2 2 375.504 3.532 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)CC(F)F ZINC001308467356 1049983076 /nfs/dbraw/zinc/98/30/76/1049983076.db2.gz ZZAVIHDNXXJYJA-GDBMZVCRSA-N 2 2 375.504 3.532 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)CC1 ZINC001308841003 1050118592 /nfs/dbraw/zinc/11/85/92/1050118592.db2.gz QFUFJESJZLJVDM-RTBURBONSA-N 2 2 377.573 3.773 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)CC1 ZINC001308841003 1050118596 /nfs/dbraw/zinc/11/85/96/1050118596.db2.gz QFUFJESJZLJVDM-RTBURBONSA-N 2 2 377.573 3.773 20 0 GHADLP CCC1([NH+]2CCC2)CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)CC1 ZINC001308943661 1050204492 /nfs/dbraw/zinc/20/44/92/1050204492.db2.gz PDIVOIXWRQSEJW-UHFFFAOYSA-N 2 2 391.357 3.856 20 0 GHADLP Cc1ccc(NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)c(N(C)C)[nH+]1 ZINC001310464254 1051375053 /nfs/dbraw/zinc/37/50/53/1051375053.db2.gz UTSDZLKODKMTKU-UHFFFAOYSA-N 2 2 381.524 3.632 20 0 GHADLP Cc1ccc(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)c(N(C)C)[nH+]1 ZINC001310464254 1051375063 /nfs/dbraw/zinc/37/50/63/1051375063.db2.gz UTSDZLKODKMTKU-UHFFFAOYSA-N 2 2 381.524 3.632 20 0 GHADLP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001335972477 1052210382 /nfs/dbraw/zinc/21/03/82/1052210382.db2.gz IRKLUHVQYJQVMB-OGHNNQOOSA-N 2 2 385.733 3.543 20 0 GHADLP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001335972477 1052210389 /nfs/dbraw/zinc/21/03/89/1052210389.db2.gz IRKLUHVQYJQVMB-OGHNNQOOSA-N 2 2 385.733 3.543 20 0 GHADLP C[C@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC001312659219 1052828988 /nfs/dbraw/zinc/82/89/88/1052828988.db2.gz JBXGNRRLYWYWGP-VLCRHTCISA-N 2 2 391.519 3.615 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC001318814470 1054891840 /nfs/dbraw/zinc/89/18/40/1054891840.db2.gz GHPMJUNTWGNBRJ-UHFFFAOYSA-N 2 2 392.850 3.726 20 0 GHADLP C[N@H+](Cc1ccccc1N1CCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001319815575 1055486037 /nfs/dbraw/zinc/48/60/37/1055486037.db2.gz XLOQYEXTMKILLR-UHFFFAOYSA-N 2 2 378.564 3.821 20 0 GHADLP C[N@@H+](Cc1ccccc1N1CCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001319815575 1055486042 /nfs/dbraw/zinc/48/60/42/1055486042.db2.gz XLOQYEXTMKILLR-UHFFFAOYSA-N 2 2 378.564 3.821 20 0 GHADLP CC(C)[C@H](C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)[NH+]1CCCCC1 ZINC001322508758 1056735786 /nfs/dbraw/zinc/73/57/86/1056735786.db2.gz FTNAMWVQGIZFNU-JOCHJYFZSA-N 2 2 397.567 3.998 20 0 GHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC001200702432 1056767074 /nfs/dbraw/zinc/76/70/74/1056767074.db2.gz AHOBTRLHGBTBMM-YLJYHZDGSA-N 2 2 396.428 3.817 20 0 GHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC001200702432 1056767083 /nfs/dbraw/zinc/76/70/83/1056767083.db2.gz AHOBTRLHGBTBMM-YLJYHZDGSA-N 2 2 396.428 3.817 20 0 GHADLP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001324049991 1057060913 /nfs/dbraw/zinc/06/09/13/1057060913.db2.gz VXLAMOWZZDVYPT-PMACEKPBSA-N 2 2 381.524 3.881 20 0 GHADLP COc1ccc(NC(=[NH2+])NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1OC ZINC000849091422 1057591103 /nfs/dbraw/zinc/59/11/03/1057591103.db2.gz FMCFMIGZGRXGJI-MRXNPFEDSA-N 2 2 376.888 3.596 20 0 GHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[NH+](C)C ZINC001447822727 1060044950 /nfs/dbraw/zinc/04/49/50/1060044950.db2.gz TZFNAZHLFZTGGT-JPYJTQIMSA-N 2 2 376.504 3.531 20 0 GHADLP CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H](C)[NH+](C)Cc3ccccc3)n2CC)C1 ZINC001340907373 1060237984 /nfs/dbraw/zinc/23/79/84/1060237984.db2.gz ZQDRIJCVKKCYEM-PZJWPPBQSA-N 2 2 398.599 3.659 20 0 GHADLP CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H](C)[NH+](C)Cc3ccccc3)n2CC)C1 ZINC001340907373 1060238005 /nfs/dbraw/zinc/23/80/05/1060238005.db2.gz ZQDRIJCVKKCYEM-PZJWPPBQSA-N 2 2 398.599 3.659 20 0 GHADLP CCC[NH+](C)C[C@H]1CCN(c2nnc([C@H](C)[N@H+](C)Cc3ccccc3)n2CC)C1 ZINC001340907373 1060238028 /nfs/dbraw/zinc/23/80/28/1060238028.db2.gz ZQDRIJCVKKCYEM-PZJWPPBQSA-N 2 2 398.599 3.659 20 0 GHADLP CCC[NH+](C)C[C@H]1CCN(c2nnc([C@H](C)[N@@H+](C)Cc3ccccc3)n2CC)C1 ZINC001340907373 1060238043 /nfs/dbraw/zinc/23/80/43/1060238043.db2.gz ZQDRIJCVKKCYEM-PZJWPPBQSA-N 2 2 398.599 3.659 20 0 GHADLP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001341257284 1060533082 /nfs/dbraw/zinc/53/30/82/1060533082.db2.gz MFMITYDYSPJWQW-TZIWHRDSSA-N 2 2 399.579 3.720 20 0 GHADLP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001341257284 1060533099 /nfs/dbraw/zinc/53/30/99/1060533099.db2.gz MFMITYDYSPJWQW-TZIWHRDSSA-N 2 2 399.579 3.720 20 0 GHADLP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)CCc1[nH+]ccn1C ZINC001450123245 1060537874 /nfs/dbraw/zinc/53/78/74/1060537874.db2.gz YMHSRXNVVVGRCL-QFIPXVFZSA-N 2 2 396.579 3.544 20 0 GHADLP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)CCc1[nH+]ccn1C ZINC001450123245 1060537893 /nfs/dbraw/zinc/53/78/93/1060537893.db2.gz YMHSRXNVVVGRCL-QFIPXVFZSA-N 2 2 396.579 3.544 20 0 GHADLP [NH3+][C@@H](CC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1ccccc1 ZINC001346104837 1061365308 /nfs/dbraw/zinc/36/53/08/1061365308.db2.gz KEMROYWLNQTINR-SFHVURJKSA-N 2 2 377.492 3.577 20 0 GHADLP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001455440109 1062145835 /nfs/dbraw/zinc/14/58/35/1062145835.db2.gz CMNHSNZLNNXJLF-QFIPXVFZSA-N 2 2 381.495 3.598 20 0 GHADLP CC1(C)C[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1(C)C ZINC001459610015 1064142568 /nfs/dbraw/zinc/14/25/68/1064142568.db2.gz PCKGWEDYZIOEJO-SFHVURJKSA-N 2 2 377.960 3.714 20 0 GHADLP CC1(C)C[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1(C)C ZINC001459610015 1064142570 /nfs/dbraw/zinc/14/25/70/1064142570.db2.gz PCKGWEDYZIOEJO-SFHVURJKSA-N 2 2 377.960 3.714 20 0 GHADLP C[N@@H+]1C[C@H](C(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)[C@@H](c2ccccc2)C1 ZINC001350979244 1064232474 /nfs/dbraw/zinc/23/24/74/1064232474.db2.gz UHDOBVPPBOJFEW-NJYVYQBISA-N 2 2 394.563 3.690 20 0 GHADLP C[N@H+]1C[C@H](C(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)[C@@H](c2ccccc2)C1 ZINC001350979244 1064232477 /nfs/dbraw/zinc/23/24/77/1064232477.db2.gz UHDOBVPPBOJFEW-NJYVYQBISA-N 2 2 394.563 3.690 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1cccs1 ZINC001463646481 1064523657 /nfs/dbraw/zinc/52/36/57/1064523657.db2.gz KEPKHCASXNESQP-RBUKOAKNSA-N 2 2 389.540 3.661 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1cccs1 ZINC001463646481 1064523675 /nfs/dbraw/zinc/52/36/75/1064523675.db2.gz KEPKHCASXNESQP-RBUKOAKNSA-N 2 2 389.540 3.661 20 0 GHADLP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)C1 ZINC001464216508 1064911843 /nfs/dbraw/zinc/91/18/43/1064911843.db2.gz IMTNVIIXIVKFOW-XSDIEEQYSA-N 2 2 386.584 3.927 20 0 GHADLP CC[N@H+](CC(=O)NCCCC[NH+]1CCCC[C@@H]1C)Cc1ccccc1Cl ZINC001464224132 1064915493 /nfs/dbraw/zinc/91/54/93/1064915493.db2.gz FUWHOVZRILBWCZ-SFHVURJKSA-N 2 2 379.976 3.933 20 0 GHADLP CC[N@@H+](CC(=O)NCCCC[NH+]1CCCC[C@@H]1C)Cc1ccccc1Cl ZINC001464224132 1064915494 /nfs/dbraw/zinc/91/54/94/1064915494.db2.gz FUWHOVZRILBWCZ-SFHVURJKSA-N 2 2 379.976 3.933 20 0 GHADLP CC[NH+](CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)Cc1ccccc1Cl ZINC001464224132 1064915499 /nfs/dbraw/zinc/91/54/99/1064915499.db2.gz FUWHOVZRILBWCZ-SFHVURJKSA-N 2 2 379.976 3.933 20 0 GHADLP CC[NH+](CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)Cc1ccccc1Cl ZINC001464224132 1064915501 /nfs/dbraw/zinc/91/55/01/1064915501.db2.gz FUWHOVZRILBWCZ-SFHVURJKSA-N 2 2 379.976 3.933 20 0 GHADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2csc(-c3cccs3)n2)c2ccccc2)CC1 ZINC001200046119 1065067031 /nfs/dbraw/zinc/06/70/31/1065067031.db2.gz IWDACDCPBACOJW-IBGZPJMESA-N 2 2 398.601 3.950 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)c(F)c3)ccn12 ZINC000847436258 1065286689 /nfs/dbraw/zinc/28/66/89/1065286689.db2.gz ZDANNPGJIBBLHY-UHFFFAOYSA-N 2 2 395.482 3.565 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C\c1ccc(C(=O)OC(C)(C)C)o1 ZINC001465206838 1065461938 /nfs/dbraw/zinc/46/19/38/1065461938.db2.gz WCMMXMFVWVORFB-VURMDHGXSA-N 2 2 394.431 3.776 20 0 GHADLP COc1cc(F)cc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC001200173136 1065473954 /nfs/dbraw/zinc/47/39/54/1065473954.db2.gz ONOGBVWRAXEJPC-UHFFFAOYSA-N 2 2 391.918 3.790 20 0 GHADLP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001465536487 1065698585 /nfs/dbraw/zinc/69/85/85/1065698585.db2.gz WKXVWSROZDAKET-FGZHOGPDSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001465536487 1065698595 /nfs/dbraw/zinc/69/85/95/1065698595.db2.gz WKXVWSROZDAKET-FGZHOGPDSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001465536487 1065698602 /nfs/dbraw/zinc/69/86/02/1065698602.db2.gz WKXVWSROZDAKET-FGZHOGPDSA-N 2 2 387.543 3.561 20 0 GHADLP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001465536487 1065698606 /nfs/dbraw/zinc/69/86/06/1065698606.db2.gz WKXVWSROZDAKET-FGZHOGPDSA-N 2 2 387.543 3.561 20 0 GHADLP CCN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001466678412 1066252278 /nfs/dbraw/zinc/25/22/78/1066252278.db2.gz GPFWJEGPVYPMTA-QHCPKHFHSA-N 2 2 388.515 3.538 20 0 GHADLP CCN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001466678412 1066252288 /nfs/dbraw/zinc/25/22/88/1066252288.db2.gz GPFWJEGPVYPMTA-QHCPKHFHSA-N 2 2 388.515 3.538 20 0 GHADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001477578621 1078474242 /nfs/dbraw/zinc/47/42/42/1078474242.db2.gz NKRYDZIBUYHEGW-FCGDIQPGSA-N 2 2 392.613 3.503 20 0 GHADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001477578621 1078474245 /nfs/dbraw/zinc/47/42/45/1078474245.db2.gz NKRYDZIBUYHEGW-FCGDIQPGSA-N 2 2 392.613 3.503 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)[C@@H]2C)CC1 ZINC001460462680 1068971353 /nfs/dbraw/zinc/97/13/53/1068971353.db2.gz QRBRGCGONPKEBX-GHTZIAJQSA-N 2 2 379.976 3.518 20 0 GHADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@@H](c3cccc(Cl)c3)[C@@H]2C)CC1 ZINC001460462680 1068971358 /nfs/dbraw/zinc/97/13/58/1068971358.db2.gz QRBRGCGONPKEBX-GHTZIAJQSA-N 2 2 379.976 3.518 20 0 GHADLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC001460625262 1069038350 /nfs/dbraw/zinc/03/83/50/1069038350.db2.gz FPVTXXBOVGDDAA-VWNXMTODSA-N 2 2 383.580 3.840 20 0 GHADLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC001460625262 1069038373 /nfs/dbraw/zinc/03/83/73/1069038373.db2.gz FPVTXXBOVGDDAA-VWNXMTODSA-N 2 2 383.580 3.840 20 0 GHADLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC001460625250 1069038433 /nfs/dbraw/zinc/03/84/33/1069038433.db2.gz FPVTXXBOVGDDAA-ISKFKSNPSA-N 2 2 383.580 3.840 20 0 GHADLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC001460625250 1069038442 /nfs/dbraw/zinc/03/84/42/1069038442.db2.gz FPVTXXBOVGDDAA-ISKFKSNPSA-N 2 2 383.580 3.840 20 0 GHADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(CC2CCCCC2)CC1 ZINC001460860864 1069232095 /nfs/dbraw/zinc/23/20/95/1069232095.db2.gz VIZOICWGJMATMK-HXUWFJFHSA-N 2 2 398.595 3.801 20 0 GHADLP CC(C)C[NH+]1CCC(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)CC1 ZINC001471735876 1073201718 /nfs/dbraw/zinc/20/17/18/1073201718.db2.gz FQDDYZOKUWFBCU-UHFFFAOYSA-N 2 2 394.563 3.572 20 0 GHADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001479089233 1079099628 /nfs/dbraw/zinc/09/96/28/1079099628.db2.gz RRQFTXORHXHVJV-QGZVFWFLSA-N 2 2 398.338 3.524 20 0 GHADLP Fc1cccc(CCC[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001473132369 1073797209 /nfs/dbraw/zinc/79/72/09/1073797209.db2.gz XZXWIEYVIASAOD-QFIPXVFZSA-N 2 2 396.554 3.688 20 0 GHADLP Fc1cccc(CCC[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001473132369 1073797214 /nfs/dbraw/zinc/79/72/14/1073797214.db2.gz XZXWIEYVIASAOD-QFIPXVFZSA-N 2 2 396.554 3.688 20 0 GHADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(OCC(F)(F)F)cc1 ZINC001473338344 1073926837 /nfs/dbraw/zinc/92/68/37/1073926837.db2.gz BRTHNXXCUWZKFU-APWZRJJASA-N 2 2 396.453 3.771 20 0 GHADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(OCC(F)(F)F)cc1 ZINC001473338344 1073926838 /nfs/dbraw/zinc/92/68/38/1073926838.db2.gz BRTHNXXCUWZKFU-APWZRJJASA-N 2 2 396.453 3.771 20 0 GHADLP CCNc1nc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cs1 ZINC001473340167 1073926879 /nfs/dbraw/zinc/92/68/79/1073926879.db2.gz CZMDBRKFEUYXFJ-OAHLLOKOSA-N 2 2 391.560 3.707 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC001473768150 1074132459 /nfs/dbraw/zinc/13/24/59/1074132459.db2.gz WURYBUHGPBBCPW-OAQYLSRUSA-N 2 2 376.460 3.638 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC001473768150 1074132463 /nfs/dbraw/zinc/13/24/63/1074132463.db2.gz WURYBUHGPBBCPW-OAQYLSRUSA-N 2 2 376.460 3.638 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc(C)c(C3OCCO3)cc2C)cn1 ZINC001473943625 1074213730 /nfs/dbraw/zinc/21/37/30/1074213730.db2.gz GKQGARSSJJFMOW-UHFFFAOYSA-N 2 2 378.476 3.528 20 0 GHADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001474042340 1074245683 /nfs/dbraw/zinc/24/56/83/1074245683.db2.gz FPMBEOMYBVMOTN-RPWUZVMVSA-N 2 2 390.531 3.642 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC001474199725 1074291511 /nfs/dbraw/zinc/29/15/11/1074291511.db2.gz LRYSLAHNJMQADW-OALUTQOASA-N 2 2 382.508 3.798 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824546992 609148015 /nfs/dbraw/zinc/14/80/15/609148015.db2.gz MCSFTTVQLODMJD-VWKPWSFCSA-N 2 2 394.498 3.567 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824546992 609148017 /nfs/dbraw/zinc/14/80/17/609148017.db2.gz MCSFTTVQLODMJD-VWKPWSFCSA-N 2 2 394.498 3.567 20 0 GHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000824941613 609425098 /nfs/dbraw/zinc/42/50/98/609425098.db2.gz YYBCAIQLYCFXGV-IRXDYDNUSA-N 2 2 391.523 3.506 20 0 GHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000824941613 609425100 /nfs/dbraw/zinc/42/51/00/609425100.db2.gz YYBCAIQLYCFXGV-IRXDYDNUSA-N 2 2 391.523 3.506 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CCN(c3cc(C)c4ccccc4[nH+]3)CC2)CC1 ZINC001164614760 719025747 /nfs/dbraw/zinc/02/57/47/719025747.db2.gz YAOHWXDFYDTUOY-UHFFFAOYSA-N 2 2 381.520 3.787 20 0 GHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3cc(OC)c(F)cc31)C2 ZINC001164812015 720196222 /nfs/dbraw/zinc/19/62/22/720196222.db2.gz KOZPGKBSRLXEHM-WZONZLPQSA-N 2 2 399.510 3.567 20 0 GHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3cc(OC)c(F)cc31)C2 ZINC001164812015 720196229 /nfs/dbraw/zinc/19/62/29/720196229.db2.gz KOZPGKBSRLXEHM-WZONZLPQSA-N 2 2 399.510 3.567 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(Cl)c(N)[nH+]1)CC2 ZINC001164840992 720727744 /nfs/dbraw/zinc/72/77/44/720727744.db2.gz UFQCSFRCFGNSCP-QGZVFWFLSA-N 2 2 386.927 3.577 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(Cl)c(N)[nH+]1)CC2 ZINC001164840992 720727755 /nfs/dbraw/zinc/72/77/55/720727755.db2.gz UFQCSFRCFGNSCP-QGZVFWFLSA-N 2 2 386.927 3.577 20 0 GHADLP Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(C2CC2)[nH+]1 ZINC001165029052 721826873 /nfs/dbraw/zinc/82/68/73/721826873.db2.gz WRGWMABGIFVJMA-SESVDKBCSA-N 2 2 377.536 3.794 20 0 GHADLP Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(C2CC2)[nH+]1 ZINC001165029052 721826874 /nfs/dbraw/zinc/82/68/74/721826874.db2.gz WRGWMABGIFVJMA-SESVDKBCSA-N 2 2 377.536 3.794 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414083293 837411285 /nfs/dbraw/zinc/41/12/85/837411285.db2.gz WBMFENXGEBDIHV-HOJAQTOUSA-N 2 2 377.960 3.508 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414083293 837411292 /nfs/dbraw/zinc/41/12/92/837411292.db2.gz WBMFENXGEBDIHV-HOJAQTOUSA-N 2 2 377.960 3.508 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(OCc2cccnc2)cc1 ZINC000655689412 837609645 /nfs/dbraw/zinc/60/96/45/837609645.db2.gz CUTBIMVOCCRQEY-GCJKJVERSA-N 2 2 381.520 3.565 20 0 GHADLP CCN(CC)[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655684857 837669630 /nfs/dbraw/zinc/66/96/30/837669630.db2.gz ZOAMKNGDVDJYCI-NQIIRXRSSA-N 2 2 379.976 3.566 20 0 GHADLP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(Cl)s1 ZINC000613334342 837673462 /nfs/dbraw/zinc/67/34/62/837673462.db2.gz ISXMVDKHJMRDDO-UHFFFAOYSA-N 2 2 391.968 3.746 20 0 GHADLP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(Cl)s1 ZINC000613334342 837673469 /nfs/dbraw/zinc/67/34/69/837673469.db2.gz ISXMVDKHJMRDDO-UHFFFAOYSA-N 2 2 391.968 3.746 20 0 GHADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000564753889 834525333 /nfs/dbraw/zinc/52/53/33/834525333.db2.gz OMNQRYNUGUKJKY-UHFFFAOYSA-N 2 2 382.533 3.825 20 0 GHADLP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000471127312 834824313 /nfs/dbraw/zinc/82/43/13/834824313.db2.gz LNBRXTSAXFPNAQ-BWAGFHJFSA-N 2 2 397.588 3.584 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000685467820 835032990 /nfs/dbraw/zinc/03/29/90/835032990.db2.gz CKOQBHNDIJIEAM-UHFFFAOYSA-N 2 2 377.532 3.675 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000685467820 835032997 /nfs/dbraw/zinc/03/29/97/835032997.db2.gz CKOQBHNDIJIEAM-UHFFFAOYSA-N 2 2 377.532 3.675 20 0 GHADLP c1cn(-c2csc(C[NH2+]Cc3cccc(COC[C@@H]4CCCO4)c3)c2)c[nH+]1 ZINC000657804852 835230516 /nfs/dbraw/zinc/23/05/16/835230516.db2.gz ZYYOVYAZVDVBQF-FQEVSTJZSA-N 2 2 383.517 3.919 20 0 GHADLP Brc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1Br ZINC000564418134 835260512 /nfs/dbraw/zinc/26/05/12/835260512.db2.gz CBWCFUODMOBYIJ-JTQLQIEISA-N 2 2 385.103 3.582 20 0 GHADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000683229907 835325358 /nfs/dbraw/zinc/32/53/58/835325358.db2.gz ZTZYWNJCJFPYGU-LADGPHEKSA-N 2 2 380.532 3.953 20 0 GHADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000683229907 835325364 /nfs/dbraw/zinc/32/53/64/835325364.db2.gz ZTZYWNJCJFPYGU-LADGPHEKSA-N 2 2 380.532 3.953 20 0 GHADLP O=C(C[N@@H+]1CC[C@@H]1c1ccccc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000471170110 835383646 /nfs/dbraw/zinc/38/36/46/835383646.db2.gz RURBHRDMMOLZHY-OAQYLSRUSA-N 2 2 381.545 3.621 20 0 GHADLP O=C(C[N@H+]1CC[C@@H]1c1ccccc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000471170110 835383657 /nfs/dbraw/zinc/38/36/57/835383657.db2.gz RURBHRDMMOLZHY-OAQYLSRUSA-N 2 2 381.545 3.621 20 0 GHADLP FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000471173525 835413605 /nfs/dbraw/zinc/41/36/05/835413605.db2.gz POQZJYZRQBQITL-ZDUSSCGKSA-N 2 2 377.370 3.858 20 0 GHADLP FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000471173525 835413609 /nfs/dbraw/zinc/41/36/09/835413609.db2.gz POQZJYZRQBQITL-ZDUSSCGKSA-N 2 2 377.370 3.858 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090015 835414848 /nfs/dbraw/zinc/41/48/48/835414848.db2.gz CVZOJSWOHIXVAL-CJNGLKHVSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090015 835414852 /nfs/dbraw/zinc/41/48/52/835414852.db2.gz CVZOJSWOHIXVAL-CJNGLKHVSA-N 2 2 382.346 3.629 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2cccc(Br)c21 ZINC000658296357 835561405 /nfs/dbraw/zinc/56/14/05/835561405.db2.gz ZCFCZZMCDPSZFH-XUWXXGDYSA-N 2 2 379.342 3.840 20 0 GHADLP CCOc1ccccc1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274811489 835585243 /nfs/dbraw/zinc/58/52/43/835585243.db2.gz HXLBEQNCGDIYGH-QUCCMNQESA-N 2 2 381.520 3.524 20 0 GHADLP CCOc1ccccc1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274811489 835585247 /nfs/dbraw/zinc/58/52/47/835585247.db2.gz HXLBEQNCGDIYGH-QUCCMNQESA-N 2 2 381.520 3.524 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000151706713 835741848 /nfs/dbraw/zinc/74/18/48/835741848.db2.gz ZTNRNNRBSUFLRT-HMXCVIKNSA-N 2 2 383.540 3.559 20 0 GHADLP C[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000471959964 844096396 /nfs/dbraw/zinc/09/63/96/844096396.db2.gz BITCPNMIRHXIBO-AWEZNQCLSA-N 2 2 386.367 3.581 20 0 GHADLP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000471959964 844096407 /nfs/dbraw/zinc/09/64/07/844096407.db2.gz BITCPNMIRHXIBO-AWEZNQCLSA-N 2 2 386.367 3.581 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(-c2ccncc2)c1 ZINC000151812724 835880456 /nfs/dbraw/zinc/88/04/56/835880456.db2.gz ALTCVYLJVRDDJU-UQBPGWFLSA-N 2 2 387.527 3.818 20 0 GHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(-c2ccncc2)c1 ZINC000151812724 835880462 /nfs/dbraw/zinc/88/04/62/835880462.db2.gz ALTCVYLJVRDDJU-UQBPGWFLSA-N 2 2 387.527 3.818 20 0 GHADLP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000151829887 835888646 /nfs/dbraw/zinc/88/86/46/835888646.db2.gz PGIXUWRGKHOJAY-RXVVDRJESA-N 2 2 383.540 3.518 20 0 GHADLP CC(C)[NH2+]C1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000179836386 835889637 /nfs/dbraw/zinc/88/96/37/835889637.db2.gz NWJHHQPZXMRKFE-UHFFFAOYSA-N 2 2 389.547 3.956 20 0 GHADLP C[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1)Cn1cc[nH+]c1 ZINC000584355659 835910408 /nfs/dbraw/zinc/91/04/08/835910408.db2.gz GHGFFTXQOREKQM-LLVKDONJSA-N 2 2 387.119 3.834 20 0 GHADLP C[C@@H](NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc(F)cc1 ZINC000548931959 836264534 /nfs/dbraw/zinc/26/45/34/836264534.db2.gz JMAPWJAJLNTHLV-GCJKJVERSA-N 2 2 397.538 3.893 20 0 GHADLP C[C@@H](NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc(F)cc1 ZINC000548931959 836264539 /nfs/dbraw/zinc/26/45/39/836264539.db2.gz JMAPWJAJLNTHLV-GCJKJVERSA-N 2 2 397.538 3.893 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC([NH2+]C3CCC3)CC2)c(C)c1 ZINC000893789851 844146364 /nfs/dbraw/zinc/14/63/64/844146364.db2.gz XBSVYTIHQWNBFK-QFIPXVFZSA-N 2 2 395.551 3.557 20 0 GHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3conc3Cc3ccccc3)c2)CCO1 ZINC000549723442 844167620 /nfs/dbraw/zinc/16/76/20/844167620.db2.gz TUJVSFPQRAUCCJ-IBGZPJMESA-N 2 2 391.515 3.776 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3conc3Cc3ccccc3)c2)CCO1 ZINC000549723442 844167627 /nfs/dbraw/zinc/16/76/27/844167627.db2.gz TUJVSFPQRAUCCJ-IBGZPJMESA-N 2 2 391.515 3.776 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1cc2ccccc2s1 ZINC000247019250 836574053 /nfs/dbraw/zinc/57/40/53/836574053.db2.gz KSAVGQNJVSOCLU-AHRSYUTCSA-N 2 2 381.545 3.830 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1cc2ccccc2s1 ZINC000247019250 836574056 /nfs/dbraw/zinc/57/40/56/836574056.db2.gz KSAVGQNJVSOCLU-AHRSYUTCSA-N 2 2 381.545 3.830 20 0 GHADLP CN(c1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC[NH+](C)CC1 ZINC000177566269 836806434 /nfs/dbraw/zinc/80/64/34/836806434.db2.gz SGKBZTVWQANUKZ-UHFFFAOYSA-N 3 2 389.547 3.693 20 0 GHADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134345042 837318621 /nfs/dbraw/zinc/31/86/21/837318621.db2.gz OQLXBKZHCJAHIF-GOSISDBHSA-N 2 2 391.346 3.917 20 0 GHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000376453519 837350992 /nfs/dbraw/zinc/35/09/92/837350992.db2.gz GFQFIFVNRJURFB-UHFFFAOYSA-N 2 2 395.551 3.547 20 0 GHADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000579925715 837370694 /nfs/dbraw/zinc/37/06/94/837370694.db2.gz DUOIQMAOSHRBGQ-HKUYNNGSSA-N 2 2 392.906 3.714 20 0 GHADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000579925715 837370705 /nfs/dbraw/zinc/37/07/05/837370705.db2.gz DUOIQMAOSHRBGQ-HKUYNNGSSA-N 2 2 392.906 3.714 20 0 GHADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(Oc2cccc(Br)c2)cc1 ZINC000468618883 837853556 /nfs/dbraw/zinc/85/35/56/837853556.db2.gz MRZGTCQPTXJEMQ-LJQANCHMSA-N 2 2 393.325 3.644 20 0 GHADLP Cc1ccc(-c2nc(C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)co2)cc1 ZINC000579944715 837884043 /nfs/dbraw/zinc/88/40/43/837884043.db2.gz WKSFSBCUTVUVET-REWPJTCUSA-N 2 2 375.472 3.996 20 0 GHADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000423467465 837908721 /nfs/dbraw/zinc/90/87/21/837908721.db2.gz IZEIJOXVDYCPQG-IQFVJIFQSA-N 3 2 381.539 3.944 20 0 GHADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000423467465 837908727 /nfs/dbraw/zinc/90/87/27/837908727.db2.gz IZEIJOXVDYCPQG-IQFVJIFQSA-N 3 2 381.539 3.944 20 0 GHADLP CCCCc1noc([C@H](C)[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000177481682 837979401 /nfs/dbraw/zinc/97/94/01/837979401.db2.gz VUSHWBAAUOYXQP-KURKYZTESA-N 2 2 378.561 3.685 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1csc(-c3ccc4c(c3)OCO4)n1)CCC2 ZINC000377837532 838039752 /nfs/dbraw/zinc/03/97/52/838039752.db2.gz NXAOEHAKIVSEKG-HNNXBMFYSA-N 2 2 382.489 3.711 20 0 GHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(OCc3noc(C)n3)cc2)C1 ZINC000122940387 838370560 /nfs/dbraw/zinc/37/05/60/838370560.db2.gz KWYIWEGYSTWRRF-SFHVURJKSA-N 2 2 381.480 3.553 20 0 GHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(OCc3noc(C)n3)cc2)C1 ZINC000122940387 838370569 /nfs/dbraw/zinc/37/05/69/838370569.db2.gz KWYIWEGYSTWRRF-SFHVURJKSA-N 2 2 381.480 3.553 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cs2)cc1OC ZINC000584520677 838480210 /nfs/dbraw/zinc/48/02/10/838480210.db2.gz SVNJAMTYPYJQCR-GOEBONIOSA-N 2 2 375.538 3.634 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cs2)cc1OC ZINC000584520677 838480215 /nfs/dbraw/zinc/48/02/15/838480215.db2.gz SVNJAMTYPYJQCR-GOEBONIOSA-N 2 2 375.538 3.634 20 0 GHADLP C[C@H](C[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000589705616 838511965 /nfs/dbraw/zinc/51/19/65/838511965.db2.gz HXNYGDRJFXWZIV-RTWAWAEBSA-N 2 2 379.548 3.627 20 0 GHADLP C[C@H](C[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000589705616 838511973 /nfs/dbraw/zinc/51/19/73/838511973.db2.gz HXNYGDRJFXWZIV-RTWAWAEBSA-N 2 2 379.548 3.627 20 0 GHADLP CCc1oc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1C(=O)OC ZINC000549400315 838581152 /nfs/dbraw/zinc/58/11/52/838581152.db2.gz SDANRJLVRWZXDX-IFXJQAMLSA-N 2 2 376.522 3.863 20 0 GHADLP CCc1oc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1C(=O)OC ZINC000549400315 838581156 /nfs/dbraw/zinc/58/11/56/838581156.db2.gz SDANRJLVRWZXDX-IFXJQAMLSA-N 2 2 376.522 3.863 20 0 GHADLP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)c2ccccc21 ZINC000376706766 838640489 /nfs/dbraw/zinc/64/04/89/838640489.db2.gz MSDLGTUNIVYAPM-IAGOWNOFSA-N 2 2 398.526 3.508 20 0 GHADLP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)c2ccccc21 ZINC000376706766 838640494 /nfs/dbraw/zinc/64/04/94/838640494.db2.gz MSDLGTUNIVYAPM-IAGOWNOFSA-N 2 2 398.526 3.508 20 0 GHADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000275748119 838662996 /nfs/dbraw/zinc/66/29/96/838662996.db2.gz SDSGJDCPZKEVTJ-HSZRJFAPSA-N 2 2 386.503 3.753 20 0 GHADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000378278488 838752886 /nfs/dbraw/zinc/75/28/86/838752886.db2.gz YBTDVRMVKVYDER-OAQYLSRUSA-N 2 2 396.560 3.544 20 0 GHADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000378278488 838752893 /nfs/dbraw/zinc/75/28/93/838752893.db2.gz YBTDVRMVKVYDER-OAQYLSRUSA-N 2 2 396.560 3.544 20 0 GHADLP Brc1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC000236630133 838881685 /nfs/dbraw/zinc/88/16/85/838881685.db2.gz LVUKBKONQYVGMS-LJQANCHMSA-N 2 2 386.337 3.960 20 0 GHADLP O=S1CCC([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000892905496 839377168 /nfs/dbraw/zinc/37/71/68/839377168.db2.gz MDMGWASFNFTFFB-UHFFFAOYSA-N 2 2 379.529 3.599 20 0 GHADLP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)c(C)c[nH+]1 ZINC000535774271 844432167 /nfs/dbraw/zinc/43/21/67/844432167.db2.gz QGGUIMSICQSZSV-UHFFFAOYSA-N 2 2 394.441 3.735 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H](c3ncc[nH]3)c3ccc(F)cc3)[nH+]c2)CC1 ZINC000275895783 839660434 /nfs/dbraw/zinc/66/04/34/839660434.db2.gz RKXDNCYJUFMOAS-OAQYLSRUSA-N 2 2 394.498 3.676 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1F ZINC000275904827 839761651 /nfs/dbraw/zinc/76/16/51/839761651.db2.gz SWKXDAAUCBMVQQ-UYHISHBKSA-N 2 2 385.321 3.617 20 0 GHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000656254161 839827376 /nfs/dbraw/zinc/82/73/76/839827376.db2.gz CCQYOGCYMAVSQS-MRXNPFEDSA-N 2 2 391.357 3.717 20 0 GHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000656254161 839827381 /nfs/dbraw/zinc/82/73/81/839827381.db2.gz CCQYOGCYMAVSQS-MRXNPFEDSA-N 2 2 391.357 3.717 20 0 GHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000656254161 839827385 /nfs/dbraw/zinc/82/73/85/839827385.db2.gz CCQYOGCYMAVSQS-MRXNPFEDSA-N 2 2 391.357 3.717 20 0 GHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000656254161 839827389 /nfs/dbraw/zinc/82/73/89/839827389.db2.gz CCQYOGCYMAVSQS-MRXNPFEDSA-N 2 2 391.357 3.717 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000656253840 839830645 /nfs/dbraw/zinc/83/06/45/839830645.db2.gz YEGWYJRUZBEAHW-YOEHRIQHSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000656253840 839830652 /nfs/dbraw/zinc/83/06/52/839830652.db2.gz YEGWYJRUZBEAHW-YOEHRIQHSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000656253840 839830660 /nfs/dbraw/zinc/83/06/60/839830660.db2.gz YEGWYJRUZBEAHW-YOEHRIQHSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000656253840 839830667 /nfs/dbraw/zinc/83/06/67/839830667.db2.gz YEGWYJRUZBEAHW-YOEHRIQHSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000656262002 839909447 /nfs/dbraw/zinc/90/94/47/839909447.db2.gz OXOZTDJMLFVYNI-AUUYWEPGSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000656262002 839909451 /nfs/dbraw/zinc/90/94/51/839909451.db2.gz OXOZTDJMLFVYNI-AUUYWEPGSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000656262002 839909455 /nfs/dbraw/zinc/90/94/55/839909455.db2.gz OXOZTDJMLFVYNI-AUUYWEPGSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000656262002 839909457 /nfs/dbraw/zinc/90/94/57/839909457.db2.gz OXOZTDJMLFVYNI-AUUYWEPGSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000656262786 839913811 /nfs/dbraw/zinc/91/38/11/839913811.db2.gz ZGMOWCPSBZPTIW-KBXCAEBGSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000656262786 839913820 /nfs/dbraw/zinc/91/38/20/839913820.db2.gz ZGMOWCPSBZPTIW-KBXCAEBGSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000656262786 839913826 /nfs/dbraw/zinc/91/38/26/839913826.db2.gz ZGMOWCPSBZPTIW-KBXCAEBGSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000656262786 839913832 /nfs/dbraw/zinc/91/38/32/839913832.db2.gz ZGMOWCPSBZPTIW-KBXCAEBGSA-N 2 2 391.357 3.715 20 0 GHADLP COC(=O)c1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(C)s1 ZINC000580640918 839947089 /nfs/dbraw/zinc/94/70/89/839947089.db2.gz GWWZGKBPKCHEFG-UYAOXDASSA-N 2 2 384.545 3.797 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(C)s1 ZINC000580640918 839947100 /nfs/dbraw/zinc/94/71/00/839947100.db2.gz GWWZGKBPKCHEFG-UYAOXDASSA-N 2 2 384.545 3.797 20 0 GHADLP COC(=O)c1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(C)s1 ZINC000580640918 839947109 /nfs/dbraw/zinc/94/71/09/839947109.db2.gz GWWZGKBPKCHEFG-UYAOXDASSA-N 2 2 384.545 3.797 20 0 GHADLP COC(=O)c1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(C)s1 ZINC000580640918 839947117 /nfs/dbraw/zinc/94/71/17/839947117.db2.gz GWWZGKBPKCHEFG-UYAOXDASSA-N 2 2 384.545 3.797 20 0 GHADLP CC(C)C1CCC([NH+]2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)CC1 ZINC000500410086 840404280 /nfs/dbraw/zinc/40/42/80/840404280.db2.gz QTOIJUNBCODYDA-UHFFFAOYSA-N 2 2 394.563 3.904 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CC[NH+](C4CCC4)CC3)n2)C1 ZINC000580994274 840569399 /nfs/dbraw/zinc/56/93/99/840569399.db2.gz MTUBUTLOGIJDJP-OAHLLOKOSA-N 2 2 391.585 3.513 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CC[NH+](C4CCC4)CC3)n2)C1 ZINC000580994274 840569406 /nfs/dbraw/zinc/56/94/06/840569406.db2.gz MTUBUTLOGIJDJP-OAHLLOKOSA-N 2 2 391.585 3.513 20 0 GHADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000581303268 841045123 /nfs/dbraw/zinc/04/51/23/841045123.db2.gz NTASGEGIWRTPKJ-CQSZACIVSA-N 2 2 386.367 3.650 20 0 GHADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000651669332 841275053 /nfs/dbraw/zinc/27/50/53/841275053.db2.gz PVXGPDMLWKUZPK-UHFFFAOYSA-N 2 2 390.531 3.611 20 0 GHADLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(-c2ccccc2)cn1 ZINC000651679031 841316702 /nfs/dbraw/zinc/31/67/02/841316702.db2.gz MNENCWJSPLDMSQ-LJQANCHMSA-N 2 2 387.531 3.746 20 0 GHADLP COC(=O)c1cnc(C[NH2+]Cc2ccccc2C[N@H+](C)C2CCCCC2)s1 ZINC000894198533 844632784 /nfs/dbraw/zinc/63/27/84/844632784.db2.gz DIMQWWRSFHBDBD-UHFFFAOYSA-N 2 2 387.549 3.984 20 0 GHADLP COC(=O)c1cnc(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)s1 ZINC000894198533 844632789 /nfs/dbraw/zinc/63/27/89/844632789.db2.gz DIMQWWRSFHBDBD-UHFFFAOYSA-N 2 2 387.549 3.984 20 0 GHADLP Cc1cc(N2CCC[C@@H]([NH2+]Cc3nc(C(C)C)n4ccccc34)C2)nc(C)[nH+]1 ZINC000651702168 841392828 /nfs/dbraw/zinc/39/28/28/841392828.db2.gz LMJSQGOATGRRKC-GOSISDBHSA-N 2 2 378.524 3.623 20 0 GHADLP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000090187441 841723531 /nfs/dbraw/zinc/72/35/31/841723531.db2.gz OUGPWIVFUGQKEA-QFIPXVFZSA-N 2 2 379.548 3.574 20 0 GHADLP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000090187441 841723537 /nfs/dbraw/zinc/72/35/37/841723537.db2.gz OUGPWIVFUGQKEA-QFIPXVFZSA-N 2 2 379.548 3.574 20 0 GHADLP CC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000045806543 841794315 /nfs/dbraw/zinc/79/43/15/841794315.db2.gz BIUMFNWCWLOZQR-GOSISDBHSA-N 2 2 385.552 3.804 20 0 GHADLP CC[N@@H+]1CCC[C@H](C[NH+](C)CCc2noc3ccccc32)[C@@H]1c1cnn(C)c1 ZINC000661526540 841843193 /nfs/dbraw/zinc/84/31/93/841843193.db2.gz HUFGOKRNEVTTBQ-VGOFRKELSA-N 2 2 381.524 3.509 20 0 GHADLP CC[N@H+]1CCC[C@H](C[NH+](C)CCc2noc3ccccc32)[C@@H]1c1cnn(C)c1 ZINC000661526540 841843203 /nfs/dbraw/zinc/84/32/03/841843203.db2.gz HUFGOKRNEVTTBQ-VGOFRKELSA-N 2 2 381.524 3.509 20 0 GHADLP CC[NH+]1CCC[C@H](C[N@H+](C)CCc2noc3ccccc32)[C@@H]1c1cnn(C)c1 ZINC000661526540 841843217 /nfs/dbraw/zinc/84/32/17/841843217.db2.gz HUFGOKRNEVTTBQ-VGOFRKELSA-N 2 2 381.524 3.509 20 0 GHADLP CC[NH+]1CCC[C@H](C[N@@H+](C)CCc2noc3ccccc32)[C@@H]1c1cnn(C)c1 ZINC000661526540 841843227 /nfs/dbraw/zinc/84/32/27/841843227.db2.gz HUFGOKRNEVTTBQ-VGOFRKELSA-N 2 2 381.524 3.509 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1sc2cc(F)ccc2c1Cl ZINC000047676056 842012651 /nfs/dbraw/zinc/01/26/51/842012651.db2.gz VHUQXUMPVNQBGN-UHFFFAOYSA-N 2 2 397.947 3.792 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1sc2cc(F)ccc2c1Cl ZINC000047676056 842012664 /nfs/dbraw/zinc/01/26/64/842012664.db2.gz VHUQXUMPVNQBGN-UHFFFAOYSA-N 2 2 397.947 3.792 20 0 GHADLP CSc1cccc(NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278920656 842043005 /nfs/dbraw/zinc/04/30/05/842043005.db2.gz ROCLMYZILQLQFL-UHFFFAOYSA-N 2 2 384.549 3.759 20 0 GHADLP CC1CC[NH+](Cc2cccc(CNC(=O)NCc3ccn4cc[nH+]c4c3)c2)CC1 ZINC000177949967 861289025 /nfs/dbraw/zinc/28/90/25/861289025.db2.gz FHJTYARMRBJWIW-UHFFFAOYSA-N 2 2 391.519 3.566 20 0 GHADLP CCC[NH+]1CCC([N@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000510468866 842304801 /nfs/dbraw/zinc/30/48/01/842304801.db2.gz IEHLNRGCSRLXKI-UHFFFAOYSA-N 2 2 391.357 3.941 20 0 GHADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000510468866 842304813 /nfs/dbraw/zinc/30/48/13/842304813.db2.gz IEHLNRGCSRLXKI-UHFFFAOYSA-N 2 2 391.357 3.941 20 0 GHADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@@H]1CC[NH3+] ZINC000652353579 842343286 /nfs/dbraw/zinc/34/32/86/842343286.db2.gz RUCGFJFAMJVDIU-XHDPSFHLSA-N 2 2 377.838 3.747 20 0 GHADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@@H]1CC[NH3+] ZINC000652353579 842343301 /nfs/dbraw/zinc/34/33/01/842343301.db2.gz RUCGFJFAMJVDIU-XHDPSFHLSA-N 2 2 377.838 3.747 20 0 GHADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000471767900 842425305 /nfs/dbraw/zinc/42/53/05/842425305.db2.gz HULONWYDDKBOHW-JTHBVZDNSA-N 2 2 388.515 3.685 20 0 GHADLP CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290975 843081433 /nfs/dbraw/zinc/08/14/33/843081433.db2.gz AROAUHOUSKXVAC-CRAIPNDOSA-N 2 2 397.519 3.674 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)[NH+]2CCCC2)o1 ZINC000510664812 843154778 /nfs/dbraw/zinc/15/47/78/843154778.db2.gz GESUDFSXBBIZDE-HXUWFJFHSA-N 2 2 378.476 3.649 20 0 GHADLP c1csc(-c2cc(C[NH+]3CCC(c4cc(C5CC[NH2+]CC5)n[nH]4)CC3)no2)c1 ZINC000662328543 843157126 /nfs/dbraw/zinc/15/71/26/843157126.db2.gz SHEDTUDVFNHUGU-UHFFFAOYSA-N 2 2 397.548 3.973 20 0 GHADLP CC(C)N(C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CCCC1 ZINC000512240388 843190229 /nfs/dbraw/zinc/19/02/29/843190229.db2.gz DAIGBCPGLLQRBE-XMMPIXPASA-N 2 2 383.580 3.764 20 0 GHADLP CC(C)N(C(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CCCC1 ZINC000512240388 843190232 /nfs/dbraw/zinc/19/02/32/843190232.db2.gz DAIGBCPGLLQRBE-XMMPIXPASA-N 2 2 383.580 3.764 20 0 GHADLP CC(C)N(C(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CCCC1 ZINC000512240388 843190238 /nfs/dbraw/zinc/19/02/38/843190238.db2.gz DAIGBCPGLLQRBE-XMMPIXPASA-N 2 2 383.580 3.764 20 0 GHADLP CC(C)N(C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CCCC1 ZINC000512240388 843190241 /nfs/dbraw/zinc/19/02/41/843190241.db2.gz DAIGBCPGLLQRBE-XMMPIXPASA-N 2 2 383.580 3.764 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)C[C@H]2[NH2+]Cc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662507997 843356449 /nfs/dbraw/zinc/35/64/49/843356449.db2.gz QONSTKIFYKWJKY-ZVDOUQERSA-N 2 2 387.886 3.575 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)C[C@H]2[NH2+]Cc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662507997 843356456 /nfs/dbraw/zinc/35/64/56/843356456.db2.gz QONSTKIFYKWJKY-ZVDOUQERSA-N 2 2 387.886 3.575 20 0 GHADLP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000512318789 843371865 /nfs/dbraw/zinc/37/18/65/843371865.db2.gz RQLMHUIXTDMRRM-QHCPKHFHSA-N 2 2 382.548 3.640 20 0 GHADLP Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000512318789 843371871 /nfs/dbraw/zinc/37/18/71/843371871.db2.gz RQLMHUIXTDMRRM-QHCPKHFHSA-N 2 2 382.548 3.640 20 0 GHADLP c1cc(C[N@H+](Cc2csc(-c3ncccn3)n2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000432672104 843402478 /nfs/dbraw/zinc/40/24/78/843402478.db2.gz SCYXEFXBPQYIJO-KRWDZBQOSA-N 2 2 397.573 3.806 20 0 GHADLP c1cc(C[N@@H+](Cc2csc(-c3ncccn3)n2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000432672104 843402485 /nfs/dbraw/zinc/40/24/85/843402485.db2.gz SCYXEFXBPQYIJO-KRWDZBQOSA-N 2 2 397.573 3.806 20 0 GHADLP OC1CC[NH+](CCCNc2nc(NCc3ccccc3)c3ccccc3[nH+]2)CC1 ZINC000663402946 843499741 /nfs/dbraw/zinc/49/97/41/843499741.db2.gz OPLLRJCRIVQFTH-UHFFFAOYSA-N 2 2 391.519 3.501 20 0 GHADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cc(Cl)ccc1Cl ZINC000604185506 843647204 /nfs/dbraw/zinc/64/72/04/843647204.db2.gz XANFXAUVDHMUMF-DZGCQCFKSA-N 2 2 399.366 3.522 20 0 GHADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cc(Cl)ccc1Cl ZINC000604185506 843647209 /nfs/dbraw/zinc/64/72/09/843647209.db2.gz XANFXAUVDHMUMF-DZGCQCFKSA-N 2 2 399.366 3.522 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OCc1c(C)noc1C ZINC000237352809 843932927 /nfs/dbraw/zinc/93/29/27/843932927.db2.gz OCJCGPDGKHVUNY-UXHICEINSA-N 2 2 385.508 3.595 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OCc1c(C)noc1C ZINC000237352809 843932935 /nfs/dbraw/zinc/93/29/35/843932935.db2.gz OCJCGPDGKHVUNY-UXHICEINSA-N 2 2 385.508 3.595 20 0 GHADLP Cc1c(F)cccc1-c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)o1 ZINC000512904370 843982615 /nfs/dbraw/zinc/98/26/15/843982615.db2.gz SEFCYEAYSFHSAQ-AYHJJNSGSA-N 2 2 399.510 3.567 20 0 GHADLP Cc1c(F)cccc1-c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)o1 ZINC000512904370 843982618 /nfs/dbraw/zinc/98/26/18/843982618.db2.gz SEFCYEAYSFHSAQ-AYHJJNSGSA-N 2 2 399.510 3.567 20 0 GHADLP C[C@@H]1CN(c2nc3cc(Cl)cc(Cl)c3o2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000432827893 844002120 /nfs/dbraw/zinc/00/21/20/844002120.db2.gz FYJUTLUUSNAVKW-GFCCVEGCSA-N 2 2 383.323 3.739 20 0 GHADLP C[C@@H]1CN(c2nc3cc(Cl)cc(Cl)c3o2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000432827893 844002128 /nfs/dbraw/zinc/00/21/28/844002128.db2.gz FYJUTLUUSNAVKW-GFCCVEGCSA-N 2 2 383.323 3.739 20 0 GHADLP FC(F)(F)Oc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000474924804 861490371 /nfs/dbraw/zinc/49/03/71/861490371.db2.gz JCKOEYUTNAKFIX-NSHDSACASA-N 2 2 390.203 3.649 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC[C@@H]21 ZINC000181150048 844817247 /nfs/dbraw/zinc/81/72/47/844817247.db2.gz BKXIPYBCMDCXMT-JEBQAFNWSA-N 2 2 382.335 3.515 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC[C@@H]21 ZINC000181150048 844817254 /nfs/dbraw/zinc/81/72/54/844817254.db2.gz BKXIPYBCMDCXMT-JEBQAFNWSA-N 2 2 382.335 3.515 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC[C@@H]21 ZINC000181150048 844817260 /nfs/dbraw/zinc/81/72/60/844817260.db2.gz BKXIPYBCMDCXMT-JEBQAFNWSA-N 2 2 382.335 3.515 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC[C@@H]21 ZINC000181150048 844817268 /nfs/dbraw/zinc/81/72/68/844817268.db2.gz BKXIPYBCMDCXMT-JEBQAFNWSA-N 2 2 382.335 3.515 20 0 GHADLP CN(C(=O)NC1CCCCCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535865779 844866539 /nfs/dbraw/zinc/86/65/39/844866539.db2.gz LXVDABIWWMBCEP-LEWJYISDSA-N 2 2 378.605 3.688 20 0 GHADLP CN(C(=O)NC1CCCCCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535865779 844866560 /nfs/dbraw/zinc/86/65/60/844866560.db2.gz LXVDABIWWMBCEP-LEWJYISDSA-N 2 2 378.605 3.688 20 0 GHADLP c1c(CC[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]c2n1CCCC2 ZINC000512662620 844916141 /nfs/dbraw/zinc/91/61/41/844916141.db2.gz ZBJQOTPZLGOWEW-WWNPGLIZSA-N 3 2 378.564 3.652 20 0 GHADLP c1c(CC[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]c2n1CCCC2 ZINC000512662620 844916143 /nfs/dbraw/zinc/91/61/43/844916143.db2.gz ZBJQOTPZLGOWEW-WWNPGLIZSA-N 3 2 378.564 3.652 20 0 GHADLP CCOc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000512688705 845039870 /nfs/dbraw/zinc/03/98/70/845039870.db2.gz CFDQPHNGBSCROG-QFIPXVFZSA-N 2 2 394.563 3.515 20 0 GHADLP CCOc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000512688705 845039879 /nfs/dbraw/zinc/03/98/79/845039879.db2.gz CFDQPHNGBSCROG-QFIPXVFZSA-N 2 2 394.563 3.515 20 0 GHADLP CCCCCOc1ccc(-c2ccc(-c3noc([C@H]4C[NH2+]C[C@@H]4[NH3+])n3)cc2)cc1 ZINC001211755345 845128348 /nfs/dbraw/zinc/12/83/48/845128348.db2.gz IDMPQHDDCKRBBE-SFTDATJTSA-N 2 2 392.503 3.987 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000303487905 845215944 /nfs/dbraw/zinc/21/59/44/845215944.db2.gz POYKAYGJJZGXCX-IBGZPJMESA-N 2 2 395.547 3.793 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000303487905 845215958 /nfs/dbraw/zinc/21/59/58/845215958.db2.gz POYKAYGJJZGXCX-IBGZPJMESA-N 2 2 395.547 3.793 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000277305691 845645148 /nfs/dbraw/zinc/64/51/48/845645148.db2.gz UKUSEBAZMNYJML-UHFFFAOYSA-N 2 2 375.423 3.686 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000277305691 845645156 /nfs/dbraw/zinc/64/51/56/845645156.db2.gz UKUSEBAZMNYJML-UHFFFAOYSA-N 2 2 375.423 3.686 20 0 GHADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccccc1I ZINC000502866751 846573056 /nfs/dbraw/zinc/57/30/56/846573056.db2.gz GGPTXBWIYPMNJO-YOEHRIQHSA-N 2 2 384.305 3.912 20 0 GHADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccccc1I ZINC000502866751 846573069 /nfs/dbraw/zinc/57/30/69/846573069.db2.gz GGPTXBWIYPMNJO-YOEHRIQHSA-N 2 2 384.305 3.912 20 0 GHADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000502866751 846573081 /nfs/dbraw/zinc/57/30/81/846573081.db2.gz GGPTXBWIYPMNJO-YOEHRIQHSA-N 2 2 384.305 3.912 20 0 GHADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1ccccc1I ZINC000502866751 846573085 /nfs/dbraw/zinc/57/30/85/846573085.db2.gz GGPTXBWIYPMNJO-YOEHRIQHSA-N 2 2 384.305 3.912 20 0 GHADLP COc1ccc([C@@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)C2CC2)c(F)c1 ZINC000421838328 846630066 /nfs/dbraw/zinc/63/00/66/846630066.db2.gz UKDMEAAVVGOKQX-JTSKRJEESA-N 2 2 384.499 3.933 20 0 GHADLP CC[C@H](c1ccncc1)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000179695713 861713378 /nfs/dbraw/zinc/71/33/78/861713378.db2.gz MUIVKLGZXLYIGL-HSZRJFAPSA-N 2 2 394.563 3.507 20 0 GHADLP CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000179695713 861713384 /nfs/dbraw/zinc/71/33/84/861713384.db2.gz MUIVKLGZXLYIGL-HSZRJFAPSA-N 2 2 394.563 3.507 20 0 GHADLP CC[C@H](c1ccncc1)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000179695713 861713386 /nfs/dbraw/zinc/71/33/86/861713386.db2.gz MUIVKLGZXLYIGL-HSZRJFAPSA-N 2 2 394.563 3.507 20 0 GHADLP CC[C@H](c1ccncc1)[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000179695713 861713391 /nfs/dbraw/zinc/71/33/91/861713391.db2.gz MUIVKLGZXLYIGL-HSZRJFAPSA-N 2 2 394.563 3.507 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3csc4cc(C)ccc34)CC2)CC1 ZINC000422010114 846749526 /nfs/dbraw/zinc/74/95/26/846749526.db2.gz BMGLFSNKXGZGIZ-UHFFFAOYSA-N 2 2 385.577 3.842 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3csc4cc(C)ccc34)CC2)CC1 ZINC000422010114 846749549 /nfs/dbraw/zinc/74/95/49/846749549.db2.gz BMGLFSNKXGZGIZ-UHFFFAOYSA-N 2 2 385.577 3.842 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCCc3ccc(Cl)cc3)CC2)CC1 ZINC000422011609 846752579 /nfs/dbraw/zinc/75/25/79/846752579.db2.gz VDYFATBPJMATIJ-UHFFFAOYSA-N 2 2 391.987 3.681 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCCc3ccc(Cl)cc3)CC2)CC1 ZINC000422011609 846752583 /nfs/dbraw/zinc/75/25/83/846752583.db2.gz VDYFATBPJMATIJ-UHFFFAOYSA-N 2 2 391.987 3.681 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3cccc(Cl)c3Cl)CC2)CC1 ZINC000422022026 846754312 /nfs/dbraw/zinc/75/43/12/846754312.db2.gz OBCXFRSZYQMZSO-UHFFFAOYSA-N 2 2 398.378 3.555 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3cccc(Cl)c3Cl)CC2)CC1 ZINC000422022026 846754320 /nfs/dbraw/zinc/75/43/20/846754320.db2.gz OBCXFRSZYQMZSO-UHFFFAOYSA-N 2 2 398.378 3.555 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC3CC(c4ccccc4)C3)CC2)CC1 ZINC000422025497 846754942 /nfs/dbraw/zinc/75/49/42/846754942.db2.gz SBHFSGPXJYERFT-UHFFFAOYSA-N 2 2 383.580 3.589 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC3CC(c4ccccc4)C3)CC2)CC1 ZINC000422025497 846754953 /nfs/dbraw/zinc/75/49/53/846754953.db2.gz SBHFSGPXJYERFT-UHFFFAOYSA-N 2 2 383.580 3.589 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](c3ccc(C)cc3)C3CC3)CC2)CC1 ZINC000422130896 846862838 /nfs/dbraw/zinc/86/28/38/846862838.db2.gz BLFBYGQEACUBFQ-HSZRJFAPSA-N 2 2 398.595 3.648 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](c3ccc(C)cc3)C3CC3)CC2)CC1 ZINC000422130896 846862841 /nfs/dbraw/zinc/86/28/41/846862841.db2.gz BLFBYGQEACUBFQ-HSZRJFAPSA-N 2 2 398.595 3.648 20 0 GHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc([S@](C)=O)cc1 ZINC000272318844 847046876 /nfs/dbraw/zinc/04/68/76/847046876.db2.gz VJNBCWPSWWFDID-JWIGPWBQSA-N 2 2 386.565 3.523 20 0 GHADLP OCCNc1nc(NCc2ccc(C[NH+]3CCCCC3)cc2)[nH+]c2ccccc21 ZINC000026697182 847074581 /nfs/dbraw/zinc/07/45/81/847074581.db2.gz ILWMCLACUXJCON-UHFFFAOYSA-N 2 2 391.519 3.632 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657413499 847081193 /nfs/dbraw/zinc/08/11/93/847081193.db2.gz WKNZPFKFZFIDQM-WZONZLPQSA-N 2 2 381.520 3.565 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899582 847086225 /nfs/dbraw/zinc/08/62/25/847086225.db2.gz PSOSSVIORHQRAU-PTUXOGIPSA-N 2 2 391.559 3.745 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899582 847086231 /nfs/dbraw/zinc/08/62/31/847086231.db2.gz PSOSSVIORHQRAU-PTUXOGIPSA-N 2 2 391.559 3.745 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1Cc1ccccc1 ZINC000420385810 847151459 /nfs/dbraw/zinc/15/14/59/847151459.db2.gz FIVVJWGAKNBPSS-GGAORHGYSA-N 2 2 377.532 3.680 20 0 GHADLP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1Cc1ccccc1 ZINC000420385810 847151462 /nfs/dbraw/zinc/15/14/62/847151462.db2.gz FIVVJWGAKNBPSS-GGAORHGYSA-N 2 2 377.532 3.680 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000563373526 847398104 /nfs/dbraw/zinc/39/81/04/847398104.db2.gz IMSAPSKPIVXTFO-KDOFPFPSSA-N 2 2 396.457 3.806 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000563373526 847398119 /nfs/dbraw/zinc/39/81/19/847398119.db2.gz IMSAPSKPIVXTFO-KDOFPFPSSA-N 2 2 396.457 3.806 20 0 GHADLP COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000481581067 861792951 /nfs/dbraw/zinc/79/29/51/861792951.db2.gz VPGLRAFCKPAOOD-OAQYLSRUSA-N 2 2 386.561 3.642 20 0 GHADLP Cc1cc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc(C)[nH+]1 ZINC000420869324 847511785 /nfs/dbraw/zinc/51/17/85/847511785.db2.gz UQEKLIBXLRQINR-NRFANRHFSA-N 2 2 380.536 3.798 20 0 GHADLP Cc1cc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc(C)[nH+]1 ZINC000420869324 847511788 /nfs/dbraw/zinc/51/17/88/847511788.db2.gz UQEKLIBXLRQINR-NRFANRHFSA-N 2 2 380.536 3.798 20 0 GHADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccccc1N1CCCC1 ZINC000420901503 847521116 /nfs/dbraw/zinc/52/11/16/847521116.db2.gz LESGAIAHMXCFNL-UHFFFAOYSA-N 2 2 379.548 3.751 20 0 GHADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccccc1N1CCCC1 ZINC000420901503 847521120 /nfs/dbraw/zinc/52/11/20/847521120.db2.gz LESGAIAHMXCFNL-UHFFFAOYSA-N 2 2 379.548 3.751 20 0 GHADLP OCC1([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc2)CCC1 ZINC000420973818 847601193 /nfs/dbraw/zinc/60/11/93/847601193.db2.gz NPRDCYFIWZUUHC-QHCPKHFHSA-N 2 2 380.532 3.512 20 0 GHADLP O=C1[C@H]([N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCN1c1ccccc1 ZINC000503384219 847643710 /nfs/dbraw/zinc/64/37/10/847643710.db2.gz OKPFKGNCTXFNNF-WIYYLYMNSA-N 2 2 378.520 3.594 20 0 GHADLP O=C1[C@H]([N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCN1c1ccccc1 ZINC000503384219 847643717 /nfs/dbraw/zinc/64/37/17/847643717.db2.gz OKPFKGNCTXFNNF-WIYYLYMNSA-N 2 2 378.520 3.594 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cc(C)ccc3Cl)CC2)CC1 ZINC000421071480 847687992 /nfs/dbraw/zinc/68/79/92/847687992.db2.gz RYMJBGSJPATIFS-UHFFFAOYSA-N 2 2 378.948 3.672 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cc(C)ccc3Cl)CC2)CC1 ZINC000421071480 847687996 /nfs/dbraw/zinc/68/79/96/847687996.db2.gz RYMJBGSJPATIFS-UHFFFAOYSA-N 2 2 378.948 3.672 20 0 GHADLP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000481597319 861819241 /nfs/dbraw/zinc/81/92/41/861819241.db2.gz MEFDTDWEGZIYMX-LPHOPBHVSA-N 2 2 395.950 3.997 20 0 GHADLP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000481597319 861819255 /nfs/dbraw/zinc/81/92/55/861819255.db2.gz MEFDTDWEGZIYMX-LPHOPBHVSA-N 2 2 395.950 3.997 20 0 GHADLP COc1ccc([C@H](Cc2ccccc2C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1OC ZINC000422788048 847822622 /nfs/dbraw/zinc/82/26/22/847822622.db2.gz RVHNRHSLVAHOFW-COPCDDAFSA-N 2 2 398.547 3.653 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)NCCNc1cccc[nH+]1)c1ccccc1Cl ZINC000611664687 847850087 /nfs/dbraw/zinc/85/00/87/847850087.db2.gz QMOTVXIVKMNLHA-GOSISDBHSA-N 2 2 389.931 3.529 20 0 GHADLP CC[C@@H](NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422894138 847887825 /nfs/dbraw/zinc/88/78/25/847887825.db2.gz SIJSTIFCRATHDQ-MOPGFXCFSA-N 2 2 380.374 3.534 20 0 GHADLP Clc1ccc([C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C2CCCC2)cc1 ZINC000684957098 847894414 /nfs/dbraw/zinc/89/44/14/847894414.db2.gz NYXQDEOFBUPNPF-FGZHOGPDSA-N 2 2 391.987 3.567 20 0 GHADLP C[NH+](C)[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000133469283 848082088 /nfs/dbraw/zinc/08/20/88/848082088.db2.gz IPEAFNNAIWCZDL-HSZRJFAPSA-N 2 2 387.518 3.864 20 0 GHADLP CN(C)[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000133469283 848082090 /nfs/dbraw/zinc/08/20/90/848082090.db2.gz IPEAFNNAIWCZDL-HSZRJFAPSA-N 2 2 387.518 3.864 20 0 GHADLP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1OC ZINC000153185711 848248213 /nfs/dbraw/zinc/24/82/13/848248213.db2.gz NSSWORRQLDNWKO-RXVVDRJESA-N 2 2 397.563 3.877 20 0 GHADLP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1OC ZINC000153185711 848248219 /nfs/dbraw/zinc/24/82/19/848248219.db2.gz NSSWORRQLDNWKO-RXVVDRJESA-N 2 2 397.563 3.877 20 0 GHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(I)cc1 ZINC000152812233 848618233 /nfs/dbraw/zinc/61/82/33/848618233.db2.gz YQIFTUMMFJMQOR-CYBMUJFWSA-N 2 2 395.288 3.717 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H](CC(C)(C)C)c3ccccc3)C2)CC1 ZINC000604173697 861929751 /nfs/dbraw/zinc/92/97/51/861929751.db2.gz SNITXNYKLLJRKY-TZIWHRDSSA-N 2 2 386.584 3.632 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H](CC(C)(C)C)c3ccccc3)C2)CC1 ZINC000604173697 861929761 /nfs/dbraw/zinc/92/97/61/861929761.db2.gz SNITXNYKLLJRKY-TZIWHRDSSA-N 2 2 386.584 3.632 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CC(C)(C)CCc4ccccc43)C2)CC1 ZINC000685049614 848687535 /nfs/dbraw/zinc/68/75/35/848687535.db2.gz YKPZIAQYXWHLIT-KNQAVFIVSA-N 2 2 398.595 3.558 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CC(C)(C)CCc4ccccc43)C2)CC1 ZINC000685049614 848687539 /nfs/dbraw/zinc/68/75/39/848687539.db2.gz YKPZIAQYXWHLIT-KNQAVFIVSA-N 2 2 398.595 3.558 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1cccc2ccccc21 ZINC000150752612 849096377 /nfs/dbraw/zinc/09/63/77/849096377.db2.gz JSNMDGSOLQPPNT-SLFFLAALSA-N 2 2 379.548 3.823 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1cccc2ccccc21 ZINC000150752612 849096381 /nfs/dbraw/zinc/09/63/81/849096381.db2.gz JSNMDGSOLQPPNT-SLFFLAALSA-N 2 2 379.548 3.823 20 0 GHADLP Cc1ccccc1CCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124857357 849398180 /nfs/dbraw/zinc/39/81/80/849398180.db2.gz ZYVXCDQLKDBPEU-PKTZIBPZSA-N 2 2 385.596 3.723 20 0 GHADLP Cc1ccccc1CCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124857357 849398190 /nfs/dbraw/zinc/39/81/90/849398190.db2.gz ZYVXCDQLKDBPEU-PKTZIBPZSA-N 2 2 385.596 3.723 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000423130616 849753037 /nfs/dbraw/zinc/75/30/37/849753037.db2.gz MYGVAIJKMRKDAP-ZPMCFJSWSA-N 2 2 388.939 3.955 20 0 GHADLP C[C@@H](NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423104750 849754971 /nfs/dbraw/zinc/75/49/71/849754971.db2.gz MPCZHKHUZPCVAT-XYPHTWIQSA-N 2 2 377.882 3.995 20 0 GHADLP C[C@@H](NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423104750 849754978 /nfs/dbraw/zinc/75/49/78/849754978.db2.gz MPCZHKHUZPCVAT-XYPHTWIQSA-N 2 2 377.882 3.995 20 0 GHADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1=O ZINC000423138061 849771366 /nfs/dbraw/zinc/77/13/66/849771366.db2.gz RXKFCOLZZLDZSR-HIIFVVRCSA-N 2 2 395.522 3.961 20 0 GHADLP C[N@H+](Cc1ccccc1CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000156210039 849819301 /nfs/dbraw/zinc/81/93/01/849819301.db2.gz ZBEZQNQKDAMPOC-SFHVURJKSA-N 2 2 380.536 3.526 20 0 GHADLP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000156210039 849819313 /nfs/dbraw/zinc/81/93/13/849819313.db2.gz ZBEZQNQKDAMPOC-SFHVURJKSA-N 2 2 380.536 3.526 20 0 GHADLP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000423251844 849831014 /nfs/dbraw/zinc/83/10/14/849831014.db2.gz WQAVZCUYUWNGGN-PKTZIBPZSA-N 2 2 393.535 3.831 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423432076 849928946 /nfs/dbraw/zinc/92/89/46/849928946.db2.gz JBWPEDLYCUXYNF-MAODMQOUSA-N 2 2 380.536 3.766 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423432076 849928954 /nfs/dbraw/zinc/92/89/54/849928954.db2.gz JBWPEDLYCUXYNF-MAODMQOUSA-N 2 2 380.536 3.766 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000504209659 849959693 /nfs/dbraw/zinc/95/96/93/849959693.db2.gz GZFKYRHYLFIERT-XERREHJYSA-N 2 2 397.485 3.620 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000504209659 849959698 /nfs/dbraw/zinc/95/96/98/849959698.db2.gz GZFKYRHYLFIERT-XERREHJYSA-N 2 2 397.485 3.620 20 0 GHADLP CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000504209659 849959704 /nfs/dbraw/zinc/95/97/04/849959704.db2.gz GZFKYRHYLFIERT-XERREHJYSA-N 2 2 397.485 3.620 20 0 GHADLP CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000504209659 849959710 /nfs/dbraw/zinc/95/97/10/849959710.db2.gz GZFKYRHYLFIERT-XERREHJYSA-N 2 2 397.485 3.620 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000504209657 849960030 /nfs/dbraw/zinc/96/00/30/849960030.db2.gz GZFKYRHYLFIERT-FYINFDKHSA-N 2 2 397.485 3.620 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000504209657 849960041 /nfs/dbraw/zinc/96/00/41/849960041.db2.gz GZFKYRHYLFIERT-FYINFDKHSA-N 2 2 397.485 3.620 20 0 GHADLP CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000504209657 849960051 /nfs/dbraw/zinc/96/00/51/849960051.db2.gz GZFKYRHYLFIERT-FYINFDKHSA-N 2 2 397.485 3.620 20 0 GHADLP CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000504209657 849960057 /nfs/dbraw/zinc/96/00/57/849960057.db2.gz GZFKYRHYLFIERT-FYINFDKHSA-N 2 2 397.485 3.620 20 0 GHADLP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732135128 862099650 /nfs/dbraw/zinc/09/96/50/862099650.db2.gz LNUQMKLCIXAWNN-LJQANCHMSA-N 2 2 395.950 3.826 20 0 GHADLP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732135128 862099661 /nfs/dbraw/zinc/09/96/61/862099661.db2.gz LNUQMKLCIXAWNN-LJQANCHMSA-N 2 2 395.950 3.826 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC000514710834 850200387 /nfs/dbraw/zinc/20/03/87/850200387.db2.gz GEOFQFHDWDVIDX-UYAOXDASSA-N 2 2 383.561 3.790 20 0 GHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC000514710834 850200400 /nfs/dbraw/zinc/20/04/00/850200400.db2.gz GEOFQFHDWDVIDX-UYAOXDASSA-N 2 2 383.561 3.790 20 0 GHADLP Cc1cn2cc(NC(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)ccc2[nH+]1 ZINC000518891841 850285927 /nfs/dbraw/zinc/28/59/27/850285927.db2.gz LPNGCSLBWFLCGI-UHFFFAOYSA-N 2 2 381.455 3.568 20 0 GHADLP C[NH+](C)CCOc1ccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1F ZINC000425315882 850288314 /nfs/dbraw/zinc/28/83/14/850288314.db2.gz OTDFAFAAOBYZCC-GOSISDBHSA-N 2 2 396.466 3.650 20 0 GHADLP CCCCOc1ccc(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435427668 850509596 /nfs/dbraw/zinc/50/95/96/850509596.db2.gz NRTKSUIBEQBTOP-NRFANRHFSA-N 2 2 382.552 3.743 20 0 GHADLP CCCCOc1ccc(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435427668 850509600 /nfs/dbraw/zinc/50/96/00/850509600.db2.gz NRTKSUIBEQBTOP-NRFANRHFSA-N 2 2 382.552 3.743 20 0 GHADLP COc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc(Br)c1OCc1ccccc1 ZINC000415007373 850656505 /nfs/dbraw/zinc/65/65/05/850656505.db2.gz CRCNLNJTDTVUSR-KGLIPLIRSA-N 2 2 393.325 3.862 20 0 GHADLP CC[N@H+](CC(=O)Nc1c(Cl)cccc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435628439 850723938 /nfs/dbraw/zinc/72/39/38/850723938.db2.gz QUKRHIIOHUDEDG-GFCCVEGCSA-N 2 2 377.838 3.761 20 0 GHADLP CC[N@@H+](CC(=O)Nc1c(Cl)cccc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435628439 850723947 /nfs/dbraw/zinc/72/39/47/850723947.db2.gz QUKRHIIOHUDEDG-GFCCVEGCSA-N 2 2 377.838 3.761 20 0 GHADLP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000487649981 850798523 /nfs/dbraw/zinc/79/85/23/850798523.db2.gz UZYKHAWYDZUXMF-HXUWFJFHSA-N 2 2 379.976 3.564 20 0 GHADLP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000487649981 850798530 /nfs/dbraw/zinc/79/85/30/850798530.db2.gz UZYKHAWYDZUXMF-HXUWFJFHSA-N 2 2 379.976 3.564 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000604426881 862198912 /nfs/dbraw/zinc/19/89/12/862198912.db2.gz KHMXHMFFIDMWFB-QFIPXVFZSA-N 2 2 391.519 3.755 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(OCC(F)F)cc2)cc1 ZINC000414876065 851064177 /nfs/dbraw/zinc/06/41/77/851064177.db2.gz CVOOSNCGEVZECC-VQTJNVASSA-N 2 2 376.447 3.574 20 0 GHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000415044236 851164424 /nfs/dbraw/zinc/16/44/24/851164424.db2.gz BOBMNNWMDRSGIE-KBXCAEBGSA-N 2 2 389.927 3.918 20 0 GHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000434679806 851448378 /nfs/dbraw/zinc/44/83/78/851448378.db2.gz QQUOAGSIFUYIII-NQIIRXRSSA-N 2 2 384.568 3.580 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H](c3ccco3)N3CCCC3)CC2)cc1 ZINC000152272655 851601457 /nfs/dbraw/zinc/60/14/57/851601457.db2.gz SVCLZDDYORYYOU-QFIPXVFZSA-N 2 2 385.527 3.852 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCOCC1)c1ccccc1 ZINC000436469760 851954194 /nfs/dbraw/zinc/95/41/94/851954194.db2.gz FNRKYYCZGSIIGW-HXUWFJFHSA-N 3 2 394.563 3.540 20 0 GHADLP CN(C(=O)c1sc2ccccc2c1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732565570 862359639 /nfs/dbraw/zinc/35/96/39/862359639.db2.gz ZYKVZZLXDBTITK-HNNXBMFYSA-N 2 2 391.968 3.795 20 0 GHADLP CN(C(=O)c1sc2ccccc2c1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732565570 862359657 /nfs/dbraw/zinc/35/96/57/862359657.db2.gz ZYKVZZLXDBTITK-HNNXBMFYSA-N 2 2 391.968 3.795 20 0 GHADLP CCC[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000625561743 862362459 /nfs/dbraw/zinc/36/24/59/862362459.db2.gz VNSZBNCKTPMDOO-FQEVSTJZSA-N 2 2 379.976 3.708 20 0 GHADLP CCC[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000625561743 862362478 /nfs/dbraw/zinc/36/24/78/862362478.db2.gz VNSZBNCKTPMDOO-FQEVSTJZSA-N 2 2 379.976 3.708 20 0 GHADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426038456 852496240 /nfs/dbraw/zinc/49/62/40/852496240.db2.gz ZBZSSNZOKSONCO-FGZHOGPDSA-N 2 2 387.955 3.701 20 0 GHADLP C[C@@H](NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)C1=CC[N@H+](C)CC1 ZINC000425669595 852587485 /nfs/dbraw/zinc/58/74/85/852587485.db2.gz CZAVAYGTTRKMJX-MRXNPFEDSA-N 2 2 379.508 3.658 20 0 GHADLP C[C@@H](NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)C1=CC[N@@H+](C)CC1 ZINC000425669595 852587492 /nfs/dbraw/zinc/58/74/92/852587492.db2.gz CZAVAYGTTRKMJX-MRXNPFEDSA-N 2 2 379.508 3.658 20 0 GHADLP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC[N@@H+]1C ZINC000425676843 852596322 /nfs/dbraw/zinc/59/63/22/852596322.db2.gz UAMMFSYPCIOZSQ-SJORKVTESA-N 2 2 381.524 3.833 20 0 GHADLP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC[N@H+]1C ZINC000425676843 852596331 /nfs/dbraw/zinc/59/63/31/852596331.db2.gz UAMMFSYPCIOZSQ-SJORKVTESA-N 2 2 381.524 3.833 20 0 GHADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)[C@H](C)C2 ZINC000490112042 852759418 /nfs/dbraw/zinc/75/94/18/852759418.db2.gz IGKVBWGADGCNEV-NTKDMRAZSA-N 2 2 380.532 3.729 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H]1CCCOC1 ZINC000507507313 852985255 /nfs/dbraw/zinc/98/52/55/852985255.db2.gz ICDCRLQCSJHBSY-MSOLQXFVSA-N 2 2 399.501 3.622 20 0 GHADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000518244753 853103813 /nfs/dbraw/zinc/10/38/13/853103813.db2.gz BNKGUBWKXWDIJS-LJQANCHMSA-N 2 2 398.378 3.948 20 0 GHADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000518244753 853103821 /nfs/dbraw/zinc/10/38/21/853103821.db2.gz BNKGUBWKXWDIJS-LJQANCHMSA-N 2 2 398.378 3.948 20 0 GHADLP c1ccc(N2CCC[C@]3(C2)C[NH+](C2C[C@H]4CC[C@@H](C2)[N@H+]4CC2CC2)CCO3)cc1 ZINC001167987279 853236312 /nfs/dbraw/zinc/23/63/12/853236312.db2.gz AFOSEHDMKUXLHY-NPZNXQLHSA-N 2 2 395.591 3.763 20 0 GHADLP c1ccc(N2CCC[C@]3(C2)C[NH+](C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)CCO3)cc1 ZINC001167987279 853236318 /nfs/dbraw/zinc/23/63/18/853236318.db2.gz AFOSEHDMKUXLHY-NPZNXQLHSA-N 2 2 395.591 3.763 20 0 GHADLP c1ccc(N2CCC[C@]3(C2)C[N@H+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CCO3)cc1 ZINC001167987279 853236320 /nfs/dbraw/zinc/23/63/20/853236320.db2.gz AFOSEHDMKUXLHY-NPZNXQLHSA-N 2 2 395.591 3.763 20 0 GHADLP c1ccc(N2CCC[C@]3(C2)C[N@@H+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CCO3)cc1 ZINC001167987279 853236327 /nfs/dbraw/zinc/23/63/27/853236327.db2.gz AFOSEHDMKUXLHY-NPZNXQLHSA-N 2 2 395.591 3.763 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000439083081 853268439 /nfs/dbraw/zinc/26/84/39/853268439.db2.gz FPTIQWVCJQAFQZ-QGZVFWFLSA-N 2 2 381.520 3.753 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000439083081 853268451 /nfs/dbraw/zinc/26/84/51/853268451.db2.gz FPTIQWVCJQAFQZ-QGZVFWFLSA-N 2 2 381.520 3.753 20 0 GHADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@@H](C)c3nnnn3C3CCCCC3)C1)CCCC2 ZINC000329943174 862445532 /nfs/dbraw/zinc/44/55/32/862445532.db2.gz HOXAKAPYOPSCRT-YJBOKZPZSA-N 2 2 383.544 3.570 20 0 GHADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@@H](C)c3nnnn3C3CCCCC3)C1)CCCC2 ZINC000329943174 862445535 /nfs/dbraw/zinc/44/55/35/862445535.db2.gz HOXAKAPYOPSCRT-YJBOKZPZSA-N 2 2 383.544 3.570 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000519725486 853410033 /nfs/dbraw/zinc/41/00/33/853410033.db2.gz MZNCXODFLATANH-KUHUBIRLSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000519725486 853410057 /nfs/dbraw/zinc/41/00/57/853410057.db2.gz MZNCXODFLATANH-KUHUBIRLSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000519725486 853410062 /nfs/dbraw/zinc/41/00/62/853410062.db2.gz MZNCXODFLATANH-KUHUBIRLSA-N 2 2 391.357 3.715 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000519725486 853410070 /nfs/dbraw/zinc/41/00/70/853410070.db2.gz MZNCXODFLATANH-KUHUBIRLSA-N 2 2 391.357 3.715 20 0 GHADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059829 853432535 /nfs/dbraw/zinc/43/25/35/853432535.db2.gz JKRTWQVXOFRQKQ-NHCUHLMSSA-N 2 2 383.580 3.548 20 0 GHADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059829 853432536 /nfs/dbraw/zinc/43/25/36/853432536.db2.gz JKRTWQVXOFRQKQ-NHCUHLMSSA-N 2 2 383.580 3.548 20 0 GHADLP COc1ccc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c(OC2CCCC2)c1 ZINC000425894144 853516159 /nfs/dbraw/zinc/51/61/59/853516159.db2.gz FSBUSIGNAWMPMS-UHFFFAOYSA-N 2 2 385.508 3.761 20 0 GHADLP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000291230830 853623548 /nfs/dbraw/zinc/62/35/48/853623548.db2.gz DBHKHEBJMNSACH-UWJYYQICSA-N 2 2 393.535 3.977 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000415953426 853656723 /nfs/dbraw/zinc/65/67/23/853656723.db2.gz GVDSTWONJZSKFA-OALUTQOASA-N 2 2 390.890 3.895 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000415953426 853656725 /nfs/dbraw/zinc/65/67/25/853656725.db2.gz GVDSTWONJZSKFA-OALUTQOASA-N 2 2 390.890 3.895 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)CCOCC1)c1ccccc1 ZINC000571015188 853717263 /nfs/dbraw/zinc/71/72/63/853717263.db2.gz LLNJUKJPSOYXRN-KSEOMHKRSA-N 2 2 396.579 3.936 20 0 GHADLP C[C@@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000164851814 853908811 /nfs/dbraw/zinc/90/88/11/853908811.db2.gz MJOYEPYUKZHPED-TZIWHRDSSA-N 2 2 380.536 3.595 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000604827651 862533388 /nfs/dbraw/zinc/53/33/88/862533388.db2.gz WEEZZVJCYIDNCY-PKOBYXMFSA-N 2 2 381.524 3.524 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)Nc3cc(C[NH+]4CCSCC4)ccc3C)ccn12 ZINC000571774265 854151021 /nfs/dbraw/zinc/15/10/21/854151021.db2.gz MUPPODVANSNSSQ-UHFFFAOYSA-N 2 2 380.517 3.752 20 0 GHADLP O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000441403905 854200500 /nfs/dbraw/zinc/20/05/00/854200500.db2.gz GYBCWQYSWMSJHZ-REWPJTCUSA-N 2 2 395.591 3.563 20 0 GHADLP O=C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000441403905 854200508 /nfs/dbraw/zinc/20/05/08/854200508.db2.gz GYBCWQYSWMSJHZ-REWPJTCUSA-N 2 2 395.591 3.563 20 0 GHADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000441403905 854200514 /nfs/dbraw/zinc/20/05/14/854200514.db2.gz GYBCWQYSWMSJHZ-REWPJTCUSA-N 2 2 395.591 3.563 20 0 GHADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000441403905 854200523 /nfs/dbraw/zinc/20/05/23/854200523.db2.gz GYBCWQYSWMSJHZ-REWPJTCUSA-N 2 2 395.591 3.563 20 0 GHADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000669265751 854230181 /nfs/dbraw/zinc/23/01/81/854230181.db2.gz CYYZLTBQFYJLII-NHCUHLMSSA-N 2 2 392.547 3.571 20 0 GHADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000669265751 854230188 /nfs/dbraw/zinc/23/01/88/854230188.db2.gz CYYZLTBQFYJLII-NHCUHLMSSA-N 2 2 392.547 3.571 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000112628267 854278530 /nfs/dbraw/zinc/27/85/30/854278530.db2.gz FIEFKYOOZILBMI-UHFFFAOYSA-N 2 2 392.528 3.982 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000588688186 854358717 /nfs/dbraw/zinc/35/87/17/854358717.db2.gz QNOHIODDJRRFKU-YJBOKZPZSA-N 2 2 382.426 3.729 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000588688186 854358721 /nfs/dbraw/zinc/35/87/21/854358721.db2.gz QNOHIODDJRRFKU-YJBOKZPZSA-N 2 2 382.426 3.729 20 0 GHADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3coc(-c4cccs4)n3)CC2)C[C@H](C)O1 ZINC000588711341 854369980 /nfs/dbraw/zinc/36/99/80/854369980.db2.gz ZHKQTUQXDVWJOC-IYBDPMFKSA-N 2 2 375.538 3.724 20 0 GHADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3coc(-c4cccs4)n3)CC2)C[C@H](C)O1 ZINC000588711341 854369989 /nfs/dbraw/zinc/36/99/89/854369989.db2.gz ZHKQTUQXDVWJOC-IYBDPMFKSA-N 2 2 375.538 3.724 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000550396209 854451040 /nfs/dbraw/zinc/45/10/40/854451040.db2.gz PKUPUFPCUKJQRB-MOPGFXCFSA-N 2 2 386.858 3.692 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000550396209 854451047 /nfs/dbraw/zinc/45/10/47/854451047.db2.gz PKUPUFPCUKJQRB-MOPGFXCFSA-N 2 2 386.858 3.692 20 0 GHADLP COc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)o2)cc1 ZINC000328660108 854493553 /nfs/dbraw/zinc/49/35/53/854493553.db2.gz UVFNEAYWZDWRAX-QGZVFWFLSA-N 2 2 393.491 3.658 20 0 GHADLP COc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)o2)cc1 ZINC000328660108 854493558 /nfs/dbraw/zinc/49/35/58/854493558.db2.gz UVFNEAYWZDWRAX-QGZVFWFLSA-N 2 2 393.491 3.658 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2ccccc2c1OC(F)F ZINC000765792154 854825116 /nfs/dbraw/zinc/82/51/16/854825116.db2.gz ODZIGBGUWIGCDB-BHYGNILZSA-N 2 2 376.447 3.955 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc2ccccc2c1OC(F)F ZINC000765792154 854825118 /nfs/dbraw/zinc/82/51/18/854825118.db2.gz ODZIGBGUWIGCDB-BHYGNILZSA-N 2 2 376.447 3.955 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2ccccc2c1OC(F)F ZINC000765792156 854825161 /nfs/dbraw/zinc/82/51/61/854825161.db2.gz ODZIGBGUWIGCDB-USXIJHARSA-N 2 2 376.447 3.955 20 0 GHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc2ccccc2c1OC(F)F ZINC000765792156 854825164 /nfs/dbraw/zinc/82/51/64/854825164.db2.gz ODZIGBGUWIGCDB-USXIJHARSA-N 2 2 376.447 3.955 20 0 GHADLP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cn(C)c2c1 ZINC000188695048 854907519 /nfs/dbraw/zinc/90/75/19/854907519.db2.gz BTIWDDYGXMRMQX-WMZHIEFXSA-N 2 2 376.548 3.924 20 0 GHADLP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cn(C)c2c1 ZINC000188695048 854907527 /nfs/dbraw/zinc/90/75/27/854907527.db2.gz BTIWDDYGXMRMQX-WMZHIEFXSA-N 2 2 376.548 3.924 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C(c1ccccc1)c1ccccc1 ZINC000482020433 862637139 /nfs/dbraw/zinc/63/71/39/862637139.db2.gz YCCKQSOSBGYXDH-NZQKXSOJSA-N 2 2 393.575 3.739 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C(c1ccccc1)c1ccccc1 ZINC000482020433 862637152 /nfs/dbraw/zinc/63/71/52/862637152.db2.gz YCCKQSOSBGYXDH-NZQKXSOJSA-N 2 2 393.575 3.739 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000482049977 862642616 /nfs/dbraw/zinc/64/26/16/862642616.db2.gz QEEVTRRLGUHXLI-PKTZIBPZSA-N 2 2 379.548 3.503 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000482049977 862642620 /nfs/dbraw/zinc/64/26/20/862642620.db2.gz QEEVTRRLGUHXLI-PKTZIBPZSA-N 2 2 379.548 3.503 20 0 GHADLP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000589883485 855172488 /nfs/dbraw/zinc/17/24/88/855172488.db2.gz WBJNVAPUKFLHMP-QHCPKHFHSA-N 2 2 388.515 3.888 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000590155734 855301432 /nfs/dbraw/zinc/30/14/32/855301432.db2.gz YOIHWOXFMNOYMG-WIYYLYMNSA-N 2 2 395.551 3.873 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000590155734 855301440 /nfs/dbraw/zinc/30/14/40/855301440.db2.gz YOIHWOXFMNOYMG-WIYYLYMNSA-N 2 2 395.551 3.873 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000190570773 855457988 /nfs/dbraw/zinc/45/79/88/855457988.db2.gz WKITXKNQFVXNRX-CTNGQTDRSA-N 2 2 397.567 3.530 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000190570773 855457992 /nfs/dbraw/zinc/45/79/92/855457992.db2.gz WKITXKNQFVXNRX-CTNGQTDRSA-N 2 2 397.567 3.530 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c(C)c1 ZINC000441499147 855479248 /nfs/dbraw/zinc/47/92/48/855479248.db2.gz GTJMIZAXKHUULR-UNMCSNQZSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c(C)c1 ZINC000441499147 855479257 /nfs/dbraw/zinc/47/92/57/855479257.db2.gz GTJMIZAXKHUULR-UNMCSNQZSA-N 2 2 397.567 3.661 20 0 GHADLP CCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000542710139 855520064 /nfs/dbraw/zinc/52/00/64/855520064.db2.gz XPDPZATWSHRNDI-UHFFFAOYSA-N 2 2 389.584 3.771 20 0 GHADLP CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000542710139 855520071 /nfs/dbraw/zinc/52/00/71/855520071.db2.gz XPDPZATWSHRNDI-UHFFFAOYSA-N 2 2 389.584 3.771 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)c(C)c1 ZINC000441507487 855534614 /nfs/dbraw/zinc/53/46/14/855534614.db2.gz VVLZQVPELBOLAH-VXKWHMMOSA-N 2 2 397.567 3.661 20 0 GHADLP CCC[N@H+](C)C[C@H]1CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)C1 ZINC000520654819 855924709 /nfs/dbraw/zinc/92/47/09/855924709.db2.gz PSFRMBRTSRBNIS-OAHLLOKOSA-N 2 2 379.346 3.569 20 0 GHADLP CCC[N@@H+](C)C[C@H]1CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)C1 ZINC000520654819 855924713 /nfs/dbraw/zinc/92/47/13/855924713.db2.gz PSFRMBRTSRBNIS-OAHLLOKOSA-N 2 2 379.346 3.569 20 0 GHADLP Cc1ccc(Oc2ccccc2NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181108909 862755733 /nfs/dbraw/zinc/75/57/33/862755733.db2.gz VKMMFGYGIQEBMI-UHFFFAOYSA-N 2 2 378.476 3.944 20 0 GHADLP Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181108909 862755743 /nfs/dbraw/zinc/75/57/43/862755743.db2.gz VKMMFGYGIQEBMI-UHFFFAOYSA-N 2 2 378.476 3.944 20 0 GHADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000282310051 856290119 /nfs/dbraw/zinc/29/01/19/856290119.db2.gz DKPJZASZRFFVOH-XLIONFOSSA-N 2 2 375.476 3.829 20 0 GHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC000573733648 856460178 /nfs/dbraw/zinc/46/01/78/856460178.db2.gz OSEXVRHEVRPXQX-IBGZPJMESA-N 2 2 390.531 3.720 20 0 GHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465887373 856763932 /nfs/dbraw/zinc/76/39/32/856763932.db2.gz KSOHAHGVVINVTO-FGZHOGPDSA-N 2 2 398.595 3.572 20 0 GHADLP COCCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000427853145 856796506 /nfs/dbraw/zinc/79/65/06/856796506.db2.gz NRVKYEWHLCWGPE-SJORKVTESA-N 2 2 378.314 3.718 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)cc1 ZINC000665255132 857059984 /nfs/dbraw/zinc/05/99/84/857059984.db2.gz JTAXDEZSKMSOGF-XARZLDAJSA-N 2 2 381.520 3.840 20 0 GHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000056862258 857122379 /nfs/dbraw/zinc/12/23/79/857122379.db2.gz IEDOPQVOPZLDDU-QFIPXVFZSA-N 2 2 389.503 3.509 20 0 GHADLP CCCc1nc(C)c(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000428208451 857190498 /nfs/dbraw/zinc/19/04/98/857190498.db2.gz OVSYYROAFVJYDW-UHFFFAOYSA-N 3 2 376.589 3.564 20 0 GHADLP CCCc1nc(C)c(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000428208451 857190500 /nfs/dbraw/zinc/19/05/00/857190500.db2.gz OVSYYROAFVJYDW-UHFFFAOYSA-N 3 2 376.589 3.564 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc1F ZINC000665258810 857203386 /nfs/dbraw/zinc/20/33/86/857203386.db2.gz MAFHFUBHJIXZIO-BUKVSMQUSA-N 2 2 394.494 3.816 20 0 GHADLP Brc1cccc2c1OCCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294207 857257253 /nfs/dbraw/zinc/25/72/53/857257253.db2.gz MHHRXCOMHRPCIV-QAPCUYQASA-N 2 2 395.341 3.506 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)[NH+](C)C)cc1 ZINC000058877881 857372427 /nfs/dbraw/zinc/37/24/27/857372427.db2.gz MZVQEECDBBQIJL-FGZHOGPDSA-N 2 2 397.588 3.504 20 0 GHADLP CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000671721238 857495284 /nfs/dbraw/zinc/49/52/84/857495284.db2.gz WAJUZIDEUIKCTJ-YQVSFNRTSA-N 2 2 389.628 3.904 20 0 GHADLP CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000671721238 857495287 /nfs/dbraw/zinc/49/52/87/857495287.db2.gz WAJUZIDEUIKCTJ-YQVSFNRTSA-N 2 2 389.628 3.904 20 0 GHADLP CC[C@H](C)[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1 ZINC000061759923 857539705 /nfs/dbraw/zinc/53/97/05/857539705.db2.gz WRRDMXHOULYSSZ-FQEVSTJZSA-N 2 2 395.547 3.758 20 0 GHADLP CC[C@H](C)[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1 ZINC000061759923 857539718 /nfs/dbraw/zinc/53/97/18/857539718.db2.gz WRRDMXHOULYSSZ-FQEVSTJZSA-N 2 2 395.547 3.758 20 0 GHADLP Brc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675883097 857660284 /nfs/dbraw/zinc/66/02/84/857660284.db2.gz WJMMRHRACKUUSJ-QAPCUYQASA-N 2 2 395.341 3.506 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000486476160 857774147 /nfs/dbraw/zinc/77/41/47/857774147.db2.gz ZELBHDNSXFOUPY-IRLDBZIGSA-N 2 2 398.595 3.571 20 0 GHADLP C[N@H+](CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CCC1 ZINC000629959640 857839244 /nfs/dbraw/zinc/83/92/44/857839244.db2.gz UVDIJQLHTRKDME-UHFFFAOYSA-N 2 2 384.351 3.558 20 0 GHADLP C[N@@H+](CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CCC1 ZINC000629959640 857839257 /nfs/dbraw/zinc/83/92/57/857839257.db2.gz UVDIJQLHTRKDME-UHFFFAOYSA-N 2 2 384.351 3.558 20 0 GHADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000676478299 857899178 /nfs/dbraw/zinc/89/91/78/857899178.db2.gz NCYPZYUMPHSXDM-HIFRSBDPSA-N 2 2 381.307 3.704 20 0 GHADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000676478299 857899182 /nfs/dbraw/zinc/89/91/82/857899182.db2.gz NCYPZYUMPHSXDM-HIFRSBDPSA-N 2 2 381.307 3.704 20 0 GHADLP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000132206734 857949864 /nfs/dbraw/zinc/94/98/64/857949864.db2.gz ISWGZNPENLBJPA-VXKWHMMOSA-N 2 2 395.551 3.531 20 0 GHADLP Cc1c2ccc(F)cc2sc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673001883 858001964 /nfs/dbraw/zinc/00/19/64/858001964.db2.gz LVJYOJSWTJJBBQ-KRWDZBQOSA-N 2 2 389.540 3.589 20 0 GHADLP Cc1c2ccc(F)cc2sc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673001883 858001977 /nfs/dbraw/zinc/00/19/77/858001977.db2.gz LVJYOJSWTJJBBQ-KRWDZBQOSA-N 2 2 389.540 3.589 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C1CCCCC1 ZINC000543041632 858042967 /nfs/dbraw/zinc/04/29/67/858042967.db2.gz DUVKNKIVBQCXLS-OAQYLSRUSA-N 2 2 389.588 3.595 20 0 GHADLP C[C@H](CC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)n1cc[nH+]c1 ZINC000521881095 858400428 /nfs/dbraw/zinc/40/04/28/858400428.db2.gz PZUROAIOAXNIPL-MRXNPFEDSA-N 2 2 394.441 3.588 20 0 GHADLP C[C@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)n1cc[nH+]c1 ZINC000521881095 858400431 /nfs/dbraw/zinc/40/04/31/858400431.db2.gz PZUROAIOAXNIPL-MRXNPFEDSA-N 2 2 394.441 3.588 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)n2C ZINC000521941617 858472024 /nfs/dbraw/zinc/47/20/24/858472024.db2.gz AFEXDJREHBZLHI-MJGOQNOKSA-N 2 2 378.520 3.582 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)n2C ZINC000521941617 858472033 /nfs/dbraw/zinc/47/20/33/858472033.db2.gz AFEXDJREHBZLHI-MJGOQNOKSA-N 2 2 378.520 3.582 20 0 GHADLP O[C@@H](COc1ccc2ccccc2c1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000761121473 858602927 /nfs/dbraw/zinc/60/29/27/858602927.db2.gz GZWTYWODDXHLHC-OAQYLSRUSA-N 2 2 377.488 3.551 20 0 GHADLP CCC(CC)(C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000522190133 858790905 /nfs/dbraw/zinc/79/09/05/858790905.db2.gz SZCWUEJOGKVUDW-UHFFFAOYSA-N 2 2 394.003 3.882 20 0 GHADLP CCC(CC)(C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000522190133 858790912 /nfs/dbraw/zinc/79/09/12/858790912.db2.gz SZCWUEJOGKVUDW-UHFFFAOYSA-N 2 2 394.003 3.882 20 0 GHADLP Fc1ccc(-c2noc(CCC[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)n2)cc1 ZINC000184170129 858886439 /nfs/dbraw/zinc/88/64/39/858886439.db2.gz KXOOZBLIVQZZLZ-UHFFFAOYSA-N 2 2 377.423 3.784 20 0 GHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc2ccccc2s1 ZINC000184362986 858920304 /nfs/dbraw/zinc/92/03/04/858920304.db2.gz ZCROELWPVCKMHD-QGZVFWFLSA-N 2 2 394.544 3.686 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccnc(Cl)c3Cl)C2)ccn1 ZINC000856550214 881366819 /nfs/dbraw/zinc/36/68/19/881366819.db2.gz ATMLRPJDZXRHAQ-KRWDZBQOSA-N 2 2 395.334 3.888 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccnc(Cl)c3Cl)C2)ccn1 ZINC000856550214 881366833 /nfs/dbraw/zinc/36/68/33/881366833.db2.gz ATMLRPJDZXRHAQ-KRWDZBQOSA-N 2 2 395.334 3.888 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccnc(Cl)c3Cl)C2)ccn1 ZINC000856550214 881366845 /nfs/dbraw/zinc/36/68/45/881366845.db2.gz ATMLRPJDZXRHAQ-KRWDZBQOSA-N 2 2 395.334 3.888 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccnc(Cl)c3Cl)C2)ccn1 ZINC000856550214 881366859 /nfs/dbraw/zinc/36/68/59/881366859.db2.gz ATMLRPJDZXRHAQ-KRWDZBQOSA-N 2 2 395.334 3.888 20 0 GHADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cccc3c(Br)cccc23)CC1 ZINC000429346742 859101053 /nfs/dbraw/zinc/10/10/53/859101053.db2.gz DAGICRAQGUTRRX-UHFFFAOYSA-N 2 2 385.309 3.658 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(OC)c(OC)cc2F)[C@H](C)C1 ZINC000483144904 859179362 /nfs/dbraw/zinc/17/93/62/859179362.db2.gz OKDGAKZVBQAYGF-MDZRGWNJSA-N 2 2 382.520 3.631 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(OC)c(OC)cc2F)[C@H](C)C1 ZINC000483144904 859179367 /nfs/dbraw/zinc/17/93/67/859179367.db2.gz OKDGAKZVBQAYGF-MDZRGWNJSA-N 2 2 382.520 3.631 20 0 GHADLP Cc1nc2c(s1)[C@H]([N@H+](C)CCC[NH+]1CCN(c3ccccc3)CC1)CCC2 ZINC000509390498 859279983 /nfs/dbraw/zinc/27/99/83/859279983.db2.gz WTFFSOSXSXKSGF-OAQYLSRUSA-N 2 2 384.593 3.973 20 0 GHADLP Cc1nc2c(s1)[C@H]([N@@H+](C)CCC[NH+]1CCN(c3ccccc3)CC1)CCC2 ZINC000509390498 859279989 /nfs/dbraw/zinc/27/99/89/859279989.db2.gz WTFFSOSXSXKSGF-OAQYLSRUSA-N 2 2 384.593 3.973 20 0 GHADLP Cc1cccc(C2(C(=O)N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CCCCC2)c1 ZINC000601476823 859288605 /nfs/dbraw/zinc/28/86/05/859288605.db2.gz KZWKEGBYDYTLCH-QHCPKHFHSA-N 2 2 397.607 3.824 20 0 GHADLP Cc1cccc(C2(C(=O)N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CCCCC2)c1 ZINC000601476823 859288613 /nfs/dbraw/zinc/28/86/13/859288613.db2.gz KZWKEGBYDYTLCH-QHCPKHFHSA-N 2 2 397.607 3.824 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccnc1 ZINC001168026144 859290063 /nfs/dbraw/zinc/29/00/63/859290063.db2.gz LDJYHOZAIYGQFL-UDKICSLYSA-N 2 2 381.520 3.717 20 0 GHADLP COC(=O)C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccnc1 ZINC001168026144 859290076 /nfs/dbraw/zinc/29/00/76/859290076.db2.gz LDJYHOZAIYGQFL-UDKICSLYSA-N 2 2 381.520 3.717 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](c3ccccc3)C3CCCC3)CC2)CC1 ZINC000051761401 859313254 /nfs/dbraw/zinc/31/32/54/859313254.db2.gz KRMXXNYUHSYUJM-QHCPKHFHSA-N 2 2 398.595 3.776 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000532203165 881419773 /nfs/dbraw/zinc/41/97/73/881419773.db2.gz KBWLYENWCFMNQK-CABCVRRESA-N 2 2 387.446 3.624 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000532203165 881419798 /nfs/dbraw/zinc/41/97/98/881419798.db2.gz KBWLYENWCFMNQK-CABCVRRESA-N 2 2 387.446 3.624 20 0 GHADLP CCC1([NH+]2CCOCC2)CC[NH+](CCCC(=O)Nc2c(C)cccc2C)CC1 ZINC000626087317 859525880 /nfs/dbraw/zinc/52/58/80/859525880.db2.gz JSLOGFPMVYRCLU-UHFFFAOYSA-N 2 2 387.568 3.599 20 0 GHADLP COc1cc(C)cc(OC)c1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001143143898 859541681 /nfs/dbraw/zinc/54/16/81/859541681.db2.gz BXHCMUYQZDDOGS-NHCUHLMSSA-N 2 2 380.532 3.966 20 0 GHADLP COc1cc(C)cc(OC)c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001143143898 859541686 /nfs/dbraw/zinc/54/16/86/859541686.db2.gz BXHCMUYQZDDOGS-NHCUHLMSSA-N 2 2 380.532 3.966 20 0 GHADLP COc1cc(C)cc(OC)c1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001143143898 859541694 /nfs/dbraw/zinc/54/16/94/859541694.db2.gz BXHCMUYQZDDOGS-NHCUHLMSSA-N 2 2 380.532 3.966 20 0 GHADLP COc1cc(C)cc(OC)c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001143143898 859541697 /nfs/dbraw/zinc/54/16/97/859541697.db2.gz BXHCMUYQZDDOGS-NHCUHLMSSA-N 2 2 380.532 3.966 20 0 GHADLP O=C(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)Nc1cc(Cl)ccc1Cl ZINC000895482133 859582843 /nfs/dbraw/zinc/58/28/43/859582843.db2.gz HGWJQVCSYBLSLP-UHFFFAOYSA-N 2 2 379.291 3.586 20 0 GHADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccco3)c3ccccc3)cn2)CC1 ZINC000543408017 859604212 /nfs/dbraw/zinc/60/42/12/859604212.db2.gz QBIPNDKLNUBULO-QHCPKHFHSA-N 2 2 376.504 3.696 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+](Cn2ncc(Br)c2C2CC2)CC1 ZINC000765007245 859733605 /nfs/dbraw/zinc/73/36/05/859733605.db2.gz VYQRZGIGTHQGSB-UHFFFAOYSA-N 2 2 383.378 3.924 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+](Cn2ncc(Br)c2C2CC2)CC1 ZINC000765007245 859733613 /nfs/dbraw/zinc/73/36/13/859733613.db2.gz VYQRZGIGTHQGSB-UHFFFAOYSA-N 2 2 383.378 3.924 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000484074651 859789493 /nfs/dbraw/zinc/78/94/93/859789493.db2.gz JKAGJJPVGGBXRE-HXUWFJFHSA-N 2 2 393.466 3.716 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000484074651 859789498 /nfs/dbraw/zinc/78/94/98/859789498.db2.gz JKAGJJPVGGBXRE-HXUWFJFHSA-N 2 2 393.466 3.716 20 0 GHADLP Cc1cc2occ(CC(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2cc1C(C)C ZINC000602195976 859830895 /nfs/dbraw/zinc/83/08/95/859830895.db2.gz PQTVMZFPWCZOQQ-LJQANCHMSA-N 2 2 397.563 3.692 20 0 GHADLP Cc1cc2occ(CC(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2cc1C(C)C ZINC000602195976 859830900 /nfs/dbraw/zinc/83/09/00/859830900.db2.gz PQTVMZFPWCZOQQ-LJQANCHMSA-N 2 2 397.563 3.692 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1cccs1 ZINC000474338456 859867084 /nfs/dbraw/zinc/86/70/84/859867084.db2.gz RWDYXXHFMKGMCA-OALUTQOASA-N 2 2 389.540 3.661 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1cccs1 ZINC000474338456 859867095 /nfs/dbraw/zinc/86/70/95/859867095.db2.gz RWDYXXHFMKGMCA-OALUTQOASA-N 2 2 389.540 3.661 20 0 GHADLP O=C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Nc1ccc(Br)cc1 ZINC000765379907 859940555 /nfs/dbraw/zinc/94/05/55/859940555.db2.gz HJOGCZZAUOEBGI-UHFFFAOYSA-N 2 2 394.357 3.774 20 0 GHADLP C[C@@H]1Cc2ccccc2N1CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000765405098 859956353 /nfs/dbraw/zinc/95/63/53/859956353.db2.gz OKPJHZHPGMRJRI-LJQANCHMSA-N 2 2 378.564 3.762 20 0 GHADLP CSc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000194871898 860008133 /nfs/dbraw/zinc/00/81/33/860008133.db2.gz IBEHGTIOTIYSNS-GOSISDBHSA-N 2 2 386.561 3.970 20 0 GHADLP Fc1ccc(-n2nccc2C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000474474588 860178231 /nfs/dbraw/zinc/17/82/31/860178231.db2.gz GQQQVPPEIWAWPU-UHFFFAOYSA-N 2 2 378.495 3.808 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000534789529 860253765 /nfs/dbraw/zinc/25/37/65/860253765.db2.gz NXPUAUCKVDGVSJ-HBMCJLEFSA-N 2 2 398.938 3.571 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000534789529 860253773 /nfs/dbraw/zinc/25/37/73/860253773.db2.gz NXPUAUCKVDGVSJ-HBMCJLEFSA-N 2 2 398.938 3.571 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000534789529 860253782 /nfs/dbraw/zinc/25/37/82/860253782.db2.gz NXPUAUCKVDGVSJ-HBMCJLEFSA-N 2 2 398.938 3.571 20 0 GHADLP C[NH+]1CC[C@H](NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000534789529 860253790 /nfs/dbraw/zinc/25/37/90/860253790.db2.gz NXPUAUCKVDGVSJ-HBMCJLEFSA-N 2 2 398.938 3.571 20 0 GHADLP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cc(Cl)cc(Cl)c1F ZINC000922670899 860449161 /nfs/dbraw/zinc/44/91/61/860449161.db2.gz ZZRIPEHTUQHGRW-GFCCVEGCSA-N 2 2 398.313 3.525 20 0 GHADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1ccccc1-n1cc[nH+]c1)[NH+](C)C ZINC000484891512 860457032 /nfs/dbraw/zinc/45/70/32/860457032.db2.gz QNQWZXUQHALLFM-XMSQKQJNSA-N 2 2 391.519 3.671 20 0 GHADLP CC(C)([NH3+])c1ccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000904597510 860525948 /nfs/dbraw/zinc/52/59/48/860525948.db2.gz SUHVITNOYGJZCO-UHFFFAOYSA-N 2 2 381.524 3.825 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000444794246 860570651 /nfs/dbraw/zinc/57/06/51/860570651.db2.gz RIDDKKMWAXAXTM-YADHBBJMSA-N 2 2 388.515 3.657 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000444794246 860570661 /nfs/dbraw/zinc/57/06/61/860570661.db2.gz RIDDKKMWAXAXTM-YADHBBJMSA-N 2 2 388.515 3.657 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(=O)N1c2ccccc2C[C@H]1C ZINC000453375898 860683271 /nfs/dbraw/zinc/68/32/71/860683271.db2.gz PFYJHLYCUKLOLP-NNTZPNAXSA-N 2 2 377.532 3.778 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(=O)N1c2ccccc2C[C@H]1C ZINC000453375898 860683273 /nfs/dbraw/zinc/68/32/73/860683273.db2.gz PFYJHLYCUKLOLP-NNTZPNAXSA-N 2 2 377.532 3.778 20 0 GHADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429045425 860801650 /nfs/dbraw/zinc/80/16/50/860801650.db2.gz VWPVZYBQQAIOLN-ZJSXRUAMSA-N 2 2 383.580 3.675 20 0 GHADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429045425 860801655 /nfs/dbraw/zinc/80/16/55/860801655.db2.gz VWPVZYBQQAIOLN-ZJSXRUAMSA-N 2 2 383.580 3.675 20 0 GHADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429045425 860801660 /nfs/dbraw/zinc/80/16/60/860801660.db2.gz VWPVZYBQQAIOLN-ZJSXRUAMSA-N 2 2 383.580 3.675 20 0 GHADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)C2)C1 ZINC000429045425 860801661 /nfs/dbraw/zinc/80/16/61/860801661.db2.gz VWPVZYBQQAIOLN-ZJSXRUAMSA-N 2 2 383.580 3.675 20 0 GHADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cc2c(cc1Br)OCCO2 ZINC000623365063 860936257 /nfs/dbraw/zinc/93/62/57/860936257.db2.gz AVINTEDXGCPJSE-OLZOCXBDSA-N 2 2 383.330 3.744 20 0 GHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cc2c(cc1Br)OCCO2 ZINC000623365063 860936269 /nfs/dbraw/zinc/93/62/69/860936269.db2.gz AVINTEDXGCPJSE-OLZOCXBDSA-N 2 2 383.330 3.744 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481321418 861037885 /nfs/dbraw/zinc/03/78/85/861037885.db2.gz OTZMXNNJMITKFD-SQJMNOBHSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481321418 861037904 /nfs/dbraw/zinc/03/79/04/861037904.db2.gz OTZMXNNJMITKFD-SQJMNOBHSA-N 3 2 393.575 3.519 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cc1OCCCO ZINC000623529471 861162517 /nfs/dbraw/zinc/16/25/17/861162517.db2.gz JULLFKZPQMQRQN-HOCLYGCPSA-N 2 2 399.373 3.734 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cc1OCCCO ZINC000623529471 861162522 /nfs/dbraw/zinc/16/25/22/861162522.db2.gz JULLFKZPQMQRQN-HOCLYGCPSA-N 2 2 399.373 3.734 20 0 GHADLP Cc1cccc([C@@H](C)NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1C ZINC000074277988 881624108 /nfs/dbraw/zinc/62/41/08/881624108.db2.gz OYWSXWNWKRCMTD-HXUWFJFHSA-N 2 2 386.584 3.614 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000282587004 863246128 /nfs/dbraw/zinc/24/61/28/863246128.db2.gz GNASYXRGDRAOSD-UHFFFAOYSA-N 2 2 389.547 3.681 20 0 GHADLP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000494422923 881701969 /nfs/dbraw/zinc/70/19/69/881701969.db2.gz CWPIRARNJZDSKJ-KRWDZBQOSA-N 2 2 375.501 3.902 20 0 GHADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000158526874 863860857 /nfs/dbraw/zinc/86/08/57/863860857.db2.gz RCZNRXMZHLWBLP-CQSZACIVSA-N 2 2 379.335 3.991 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)CC[N@@H+]1Cc1ccccc1 ZINC000172831011 863991663 /nfs/dbraw/zinc/99/16/63/863991663.db2.gz MIIRBXWCQGIREC-WTIAFYNJSA-N 2 2 393.531 3.997 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)CC[N@H+]1Cc1ccccc1 ZINC000172831011 863991675 /nfs/dbraw/zinc/99/16/75/863991675.db2.gz MIIRBXWCQGIREC-WTIAFYNJSA-N 2 2 393.531 3.997 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000172831011 863991688 /nfs/dbraw/zinc/99/16/88/863991688.db2.gz MIIRBXWCQGIREC-WTIAFYNJSA-N 2 2 393.531 3.997 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000172831011 863991694 /nfs/dbraw/zinc/99/16/94/863991694.db2.gz MIIRBXWCQGIREC-WTIAFYNJSA-N 2 2 393.531 3.997 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000475115386 864238548 /nfs/dbraw/zinc/23/85/48/864238548.db2.gz CEFSAFYZDAVZHH-WMLDXEAASA-N 2 2 398.457 3.575 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000475115386 864238565 /nfs/dbraw/zinc/23/85/65/864238565.db2.gz CEFSAFYZDAVZHH-WMLDXEAASA-N 2 2 398.457 3.575 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(Cl)cc4ccccc43)CC2)CC1 ZINC000667642233 864298130 /nfs/dbraw/zinc/29/81/30/864298130.db2.gz TZQNWSODBOEFMA-UHFFFAOYSA-N 2 2 385.939 3.782 20 0 GHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163838932 864569991 /nfs/dbraw/zinc/56/99/91/864569991.db2.gz ALWMXTLMSFQZGX-CQSZACIVSA-N 2 2 376.888 3.553 20 0 GHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCNc1cccc[nH+]1 ZINC000163850306 864570759 /nfs/dbraw/zinc/57/07/59/864570759.db2.gz OPACIHGFHIUKIF-CQSZACIVSA-N 2 2 391.313 3.653 20 0 GHADLP c1coc([C@@H]2COCC[NH+]2CCCCCC[N@@H+]2CCOC[C@H]2c2ccco2)c1 ZINC000735078402 864609726 /nfs/dbraw/zinc/60/97/26/864609726.db2.gz LUAHBKLDHNAXOJ-PMACEKPBSA-N 2 2 388.508 3.880 20 0 GHADLP c1coc([C@@H]2COCC[NH+]2CCCCCC[N@H+]2CCOC[C@H]2c2ccco2)c1 ZINC000735078402 864609732 /nfs/dbraw/zinc/60/97/32/864609732.db2.gz LUAHBKLDHNAXOJ-PMACEKPBSA-N 2 2 388.508 3.880 20 0 GHADLP C[C@@H](c1cccc(Br)c1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182568902 864696826 /nfs/dbraw/zinc/69/68/26/864696826.db2.gz TZOHRNQBZAVJBF-LATSOQNDSA-N 2 2 392.385 3.753 20 0 GHADLP C[C@@H](c1cccc(Br)c1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182568902 864696830 /nfs/dbraw/zinc/69/68/30/864696830.db2.gz TZOHRNQBZAVJBF-LATSOQNDSA-N 2 2 392.385 3.753 20 0 GHADLP C[C@@H]([NH2+]Cc1occc1Br)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000735323310 864724526 /nfs/dbraw/zinc/72/45/26/864724526.db2.gz USFMUWXCVOTOBV-CYBMUJFWSA-N 2 2 396.304 3.784 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cnn(-c2ccc(F)cc2)c1)c1ccccc1 ZINC000608068943 864959361 /nfs/dbraw/zinc/95/93/61/864959361.db2.gz OMMSFEUVHCVGGU-OAQYLSRUSA-N 2 2 375.451 3.819 20 0 GHADLP Cc1ccc2c(C[NH+]3CC[C@H](C[N@@H+](C)Cc4cccnc4)C3)ccc(O)c2n1 ZINC000554841889 864998768 /nfs/dbraw/zinc/99/87/68/864998768.db2.gz OIPKGYVJGLIZRM-LJQANCHMSA-N 2 2 376.504 3.598 20 0 GHADLP Cc1ccc2c(C[NH+]3CC[C@H](C[N@H+](C)Cc4cccnc4)C3)ccc(O)c2n1 ZINC000554841889 864998772 /nfs/dbraw/zinc/99/87/72/864998772.db2.gz OIPKGYVJGLIZRM-LJQANCHMSA-N 2 2 376.504 3.598 20 0 GHADLP Cc1ccc2c(C[N@H+]3CC[C@H](C[NH+](C)Cc4cccnc4)C3)ccc(O)c2n1 ZINC000554841889 864998777 /nfs/dbraw/zinc/99/87/77/864998777.db2.gz OIPKGYVJGLIZRM-LJQANCHMSA-N 2 2 376.504 3.598 20 0 GHADLP Cc1ccc2c(C[N@@H+]3CC[C@H](C[NH+](C)Cc4cccnc4)C3)ccc(O)c2n1 ZINC000554841889 864998783 /nfs/dbraw/zinc/99/87/83/864998783.db2.gz OIPKGYVJGLIZRM-LJQANCHMSA-N 2 2 376.504 3.598 20 0 GHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(Br)ccc1Br ZINC000480704856 865118490 /nfs/dbraw/zinc/11/84/90/865118490.db2.gz GRSQALNFNDQGNR-YGRLFVJLSA-N 2 2 376.136 3.641 20 0 GHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(Br)ccc1Br ZINC000480704856 865118496 /nfs/dbraw/zinc/11/84/96/865118496.db2.gz GRSQALNFNDQGNR-YGRLFVJLSA-N 2 2 376.136 3.641 20 0 GHADLP Cn1cc[nH+]c1C[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000608277066 865167387 /nfs/dbraw/zinc/16/73/87/865167387.db2.gz WFOKOHYPRPHPKL-FQEVSTJZSA-N 2 2 377.492 3.587 20 0 GHADLP OC1CC[NH+](CCC[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000171384201 865234637 /nfs/dbraw/zinc/23/46/37/865234637.db2.gz DWZMNBNFAZYNCE-UHFFFAOYSA-N 2 2 393.325 3.646 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccccc12 ZINC000480792850 865283063 /nfs/dbraw/zinc/28/30/63/865283063.db2.gz FBSLGJXWJGSSNK-WIYYLYMNSA-N 2 2 390.527 3.918 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c2ccccc12 ZINC000480792850 865283071 /nfs/dbraw/zinc/28/30/71/865283071.db2.gz FBSLGJXWJGSSNK-WIYYLYMNSA-N 2 2 390.527 3.918 20 0 GHADLP Cc1ccc(C)c(-n2ccn(C[NH+]3CCC(OCC[NH+](C)C)CC3)c2=S)c1 ZINC000738210409 865503502 /nfs/dbraw/zinc/50/35/02/865503502.db2.gz RDOGKLZEUAYRJJ-UHFFFAOYSA-N 2 2 388.581 3.625 20 0 GHADLP CCC[C@@H]1CCCC[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000608669677 865573435 /nfs/dbraw/zinc/57/34/35/865573435.db2.gz YPVOOKSJEXORHX-WOJBJXKFSA-N 2 2 378.605 3.595 20 0 GHADLP CC[C@@H]1c2ccccc2CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000608718896 865589507 /nfs/dbraw/zinc/58/95/07/865589507.db2.gz LNVDEPCLGGGBIG-JOCHJYFZSA-N 2 2 398.595 3.656 20 0 GHADLP CC(C)CC[C@@H]1CCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000494556456 881903311 /nfs/dbraw/zinc/90/33/11/881903311.db2.gz FAEVRIDVSUYRKV-FQEVSTJZSA-N 2 2 378.605 3.547 20 0 GHADLP Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481166173 865906780 /nfs/dbraw/zinc/90/67/80/865906780.db2.gz CJONPMBOTYICOZ-ZFGGDYGUSA-N 2 2 393.575 3.542 20 0 GHADLP Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481166173 865906785 /nfs/dbraw/zinc/90/67/85/865906785.db2.gz CJONPMBOTYICOZ-ZFGGDYGUSA-N 2 2 393.575 3.542 20 0 GHADLP COc1cccc2c(NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)c(C)c[nH+]c12 ZINC000302786257 865923823 /nfs/dbraw/zinc/92/38/23/865923823.db2.gz VWIABWHLHKKHMX-IBGZPJMESA-N 2 2 377.488 3.731 20 0 GHADLP COc1cccc2c(NCc3ccccc3C[N@H+]3CC[C@H](O)C3)c(C)c[nH+]c12 ZINC000302786257 865923834 /nfs/dbraw/zinc/92/38/34/865923834.db2.gz VWIABWHLHKKHMX-IBGZPJMESA-N 2 2 377.488 3.731 20 0 GHADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@H]2CCCCc3ccccc32)c1 ZINC000481198759 866021558 /nfs/dbraw/zinc/02/15/58/866021558.db2.gz CHMPKOSITQTACN-QHCPKHFHSA-N 2 2 380.532 3.955 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCn1cc[nH+]c1 ZINC000523069933 866059316 /nfs/dbraw/zinc/05/93/16/866059316.db2.gz OOKPEFKRGJGNGF-UHFFFAOYSA-N 2 2 397.350 3.951 20 0 GHADLP COc1ccc2c(C[N@@H+]3CCC[C@@H](C[NH+]4CCCC[C@@H]4C)C3)cc(=O)oc2c1 ZINC000303533724 866226501 /nfs/dbraw/zinc/22/65/01/866226501.db2.gz FEJIJRUEXLKIIT-ZWKOTPCHSA-N 2 2 384.520 3.888 20 0 GHADLP COc1ccc2c(C[N@H+]3CCC[C@@H](C[NH+]4CCCC[C@@H]4C)C3)cc(=O)oc2c1 ZINC000303533724 866226519 /nfs/dbraw/zinc/22/65/19/866226519.db2.gz FEJIJRUEXLKIIT-ZWKOTPCHSA-N 2 2 384.520 3.888 20 0 GHADLP COc1ccc2c(C[NH+]3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc(=O)oc2c1 ZINC000303533724 866226534 /nfs/dbraw/zinc/22/65/34/866226534.db2.gz FEJIJRUEXLKIIT-ZWKOTPCHSA-N 2 2 384.520 3.888 20 0 GHADLP COc1ccc2c(C[NH+]3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)cc(=O)oc2c1 ZINC000303533724 866226548 /nfs/dbraw/zinc/22/65/48/866226548.db2.gz FEJIJRUEXLKIIT-ZWKOTPCHSA-N 2 2 384.520 3.888 20 0 GHADLP COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)o1 ZINC000153354999 866381176 /nfs/dbraw/zinc/38/11/76/866381176.db2.gz FZBQQKWARDSMEF-QGZVFWFLSA-N 2 2 393.487 3.921 20 0 GHADLP COC(=O)c1ccccc1-c1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)o1 ZINC000153354999 866381189 /nfs/dbraw/zinc/38/11/89/866381189.db2.gz FZBQQKWARDSMEF-QGZVFWFLSA-N 2 2 393.487 3.921 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CC[NH+](Cc4ccccc4)C3)n2)C1 ZINC000552906330 866471945 /nfs/dbraw/zinc/47/19/45/866471945.db2.gz YMNFEZQJGVFUPI-IEBWSBKVSA-N 2 2 398.576 3.836 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CC[NH+](Cc4ccccc4)C3)n2)C1 ZINC000552906330 866471955 /nfs/dbraw/zinc/47/19/55/866471955.db2.gz YMNFEZQJGVFUPI-IEBWSBKVSA-N 2 2 398.576 3.836 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2)C1 ZINC000552906330 866471968 /nfs/dbraw/zinc/47/19/68/866471968.db2.gz YMNFEZQJGVFUPI-IEBWSBKVSA-N 2 2 398.576 3.836 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2)C1 ZINC000552906330 866471977 /nfs/dbraw/zinc/47/19/77/866471977.db2.gz YMNFEZQJGVFUPI-IEBWSBKVSA-N 2 2 398.576 3.836 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000534315802 866547675 /nfs/dbraw/zinc/54/76/75/866547675.db2.gz RIURZBUCUACUPH-MRXNPFEDSA-N 2 2 389.569 3.724 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000534315802 866547688 /nfs/dbraw/zinc/54/76/88/866547688.db2.gz RIURZBUCUACUPH-MRXNPFEDSA-N 2 2 389.569 3.724 20 0 GHADLP CCc1ccsc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358616 866643613 /nfs/dbraw/zinc/64/36/13/866643613.db2.gz FWZFIMBMCXJBFY-OALUTQOASA-N 2 2 377.598 3.720 20 0 GHADLP CCc1ccsc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358616 866643623 /nfs/dbraw/zinc/64/36/23/866643623.db2.gz FWZFIMBMCXJBFY-OALUTQOASA-N 2 2 377.598 3.720 20 0 GHADLP Cc1ccc([C@H](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+](C)C)cc1 ZINC000553060456 866721860 /nfs/dbraw/zinc/72/18/60/866721860.db2.gz CGTGPEABFFXBMF-SFTDATJTSA-N 2 2 376.504 3.659 20 0 GHADLP CCCN(C(=O)NCCCCn1cc[nH+]c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000523202439 866856491 /nfs/dbraw/zinc/85/64/91/866856491.db2.gz OSPAPCPWGNOIRT-QFIPXVFZSA-N 2 2 397.567 3.750 20 0 GHADLP CCCN(C(=O)NCCCCn1cc[nH+]c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000523202439 866856503 /nfs/dbraw/zinc/85/65/03/866856503.db2.gz OSPAPCPWGNOIRT-QFIPXVFZSA-N 2 2 397.567 3.750 20 0 GHADLP CC[C@H]([NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000553231364 867015259 /nfs/dbraw/zinc/01/52/59/867015259.db2.gz GUPGQDSUPPHIPX-APWZRJJASA-N 2 2 386.927 3.513 20 0 GHADLP CN(C(=O)NCC12CCC(CC1)C2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534579439 867083154 /nfs/dbraw/zinc/08/31/54/867083154.db2.gz PKVDQLAUHVQBOA-VRCACPIISA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)NCC12CCC(CC1)C2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534579439 867083167 /nfs/dbraw/zinc/08/31/67/867083167.db2.gz PKVDQLAUHVQBOA-VRCACPIISA-N 2 2 390.616 3.545 20 0 GHADLP COCCOc1cccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000742378832 867272563 /nfs/dbraw/zinc/27/25/63/867272563.db2.gz ZUSYDCBFSIPRKE-UHFFFAOYSA-N 2 2 383.536 3.536 20 0 GHADLP CC1CC[NH+](CCSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)CC1 ZINC000154191058 867289499 /nfs/dbraw/zinc/28/94/99/867289499.db2.gz JCPDQDHMOCDDMO-UHFFFAOYSA-N 2 2 399.608 3.746 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000154681082 867544678 /nfs/dbraw/zinc/54/46/78/867544678.db2.gz ZJTHNLGNXQWRQQ-AWEZNQCLSA-N 2 2 390.325 3.572 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000154681082 867544690 /nfs/dbraw/zinc/54/46/90/867544690.db2.gz ZJTHNLGNXQWRQQ-AWEZNQCLSA-N 2 2 390.325 3.572 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479320912 867562558 /nfs/dbraw/zinc/56/25/58/867562558.db2.gz TWHXEGNJYVTQQR-SFHVURJKSA-N 2 2 385.321 3.740 20 0 GHADLP CC(C)(C)OC(=O)N1CC=C(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000793330313 882108916 /nfs/dbraw/zinc/10/89/16/882108916.db2.gz GSCBZSJTVJIWAD-UHFFFAOYSA-N 2 2 388.537 3.981 20 0 GHADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000523657183 867728148 /nfs/dbraw/zinc/72/81/48/867728148.db2.gz VQXGUZXIJAWCRS-JOCHJYFZSA-N 2 2 378.564 3.733 20 0 GHADLP Cc1cc(C)cc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000523657183 867728155 /nfs/dbraw/zinc/72/81/55/867728155.db2.gz VQXGUZXIJAWCRS-JOCHJYFZSA-N 2 2 378.564 3.733 20 0 GHADLP CC(C)[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1nnc2ccccn21 ZINC000155574503 867954547 /nfs/dbraw/zinc/95/45/47/867954547.db2.gz GQXNDXLHWUCTNR-JOCHJYFZSA-N 2 2 377.536 3.723 20 0 GHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000523798660 868005619 /nfs/dbraw/zinc/00/56/19/868005619.db2.gz XKVIVUQAIKFXLI-UHFFFAOYSA-N 2 2 395.551 3.670 20 0 GHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000523798660 868005641 /nfs/dbraw/zinc/00/56/41/868005641.db2.gz XKVIVUQAIKFXLI-UHFFFAOYSA-N 2 2 395.551 3.670 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1C ZINC000743574739 868281699 /nfs/dbraw/zinc/28/16/99/868281699.db2.gz XJHLJEYEHFBISQ-GOSISDBHSA-N 2 2 396.535 3.513 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1C ZINC000743574739 868281715 /nfs/dbraw/zinc/28/17/15/868281715.db2.gz XJHLJEYEHFBISQ-GOSISDBHSA-N 2 2 396.535 3.513 20 0 GHADLP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000156212779 868288856 /nfs/dbraw/zinc/28/88/56/868288856.db2.gz YHMZKJUGNXKDBB-DLBZAZTESA-N 2 2 392.540 3.790 20 0 GHADLP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000156212779 868288866 /nfs/dbraw/zinc/28/88/66/868288866.db2.gz YHMZKJUGNXKDBB-DLBZAZTESA-N 2 2 392.540 3.790 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156441603 868367418 /nfs/dbraw/zinc/36/74/18/868367418.db2.gz XSYWULLHWKXGGO-KEYYUXOJSA-N 2 2 380.414 3.812 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156441603 868367434 /nfs/dbraw/zinc/36/74/34/868367434.db2.gz XSYWULLHWKXGGO-KEYYUXOJSA-N 2 2 380.414 3.812 20 0 GHADLP OCC[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000553942298 868475588 /nfs/dbraw/zinc/47/55/88/868475588.db2.gz CLYKGFDDQQEIIQ-QFIPXVFZSA-N 2 2 387.955 3.565 20 0 GHADLP OCC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000553942297 868476084 /nfs/dbraw/zinc/47/60/84/868476084.db2.gz CLYKGFDDQQEIIQ-JOCHJYFZSA-N 2 2 387.955 3.565 20 0 GHADLP CC(C)[NH+]1CCC([NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000157361527 868635051 /nfs/dbraw/zinc/63/50/51/868635051.db2.gz PNDLVBJNGHFVEW-LJQANCHMSA-N 2 2 397.485 3.831 20 0 GHADLP Cc1ccc(N2CC[C@@H]([N@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)C2=O)cc1 ZINC000744427142 868829798 /nfs/dbraw/zinc/82/97/98/868829798.db2.gz ZSUFDDAUQNIXEK-FYYLOGMGSA-N 2 2 377.532 3.554 20 0 GHADLP Cc1ccc(N2CC[C@@H]([N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)C2=O)cc1 ZINC000744427142 868829812 /nfs/dbraw/zinc/82/98/12/868829812.db2.gz ZSUFDDAUQNIXEK-FYYLOGMGSA-N 2 2 377.532 3.554 20 0 GHADLP Cc1ccc(N2CC[C@@H]([NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000744427142 868829829 /nfs/dbraw/zinc/82/98/29/868829829.db2.gz ZSUFDDAUQNIXEK-FYYLOGMGSA-N 2 2 377.532 3.554 20 0 GHADLP Cc1ccc(N2CC[C@@H]([NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000744427142 868829846 /nfs/dbraw/zinc/82/98/46/868829846.db2.gz ZSUFDDAUQNIXEK-FYYLOGMGSA-N 2 2 377.532 3.554 20 0 GHADLP CCOc1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000155511587 868839057 /nfs/dbraw/zinc/83/90/57/868839057.db2.gz PCUJEQHQCPXXCJ-UHFFFAOYSA-N 2 2 398.547 3.553 20 0 GHADLP CCOc1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000155511587 868839073 /nfs/dbraw/zinc/83/90/73/868839073.db2.gz PCUJEQHQCPXXCJ-UHFFFAOYSA-N 2 2 398.547 3.553 20 0 GHADLP Brc1cccc(OCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000535576649 869030169 /nfs/dbraw/zinc/03/01/69/869030169.db2.gz QLRUJCUPSDNBRJ-UHFFFAOYSA-N 2 2 376.298 3.799 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCc1csc2ccccc12 ZINC000445992446 869258602 /nfs/dbraw/zinc/25/86/02/869258602.db2.gz PPHVHAMNGMGWDQ-UHFFFAOYSA-N 2 2 387.593 3.708 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCc1csc2ccccc12 ZINC000445992446 869258605 /nfs/dbraw/zinc/25/86/05/869258605.db2.gz PPHVHAMNGMGWDQ-UHFFFAOYSA-N 2 2 387.593 3.708 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-n2cccn2)cc1 ZINC000539658042 869543716 /nfs/dbraw/zinc/54/37/16/869543716.db2.gz LPECGTHIIDCCOE-DYESRHJHSA-N 2 2 376.508 3.581 20 0 GHADLP COc1ccc(C[C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1OC ZINC000539690193 869611600 /nfs/dbraw/zinc/61/16/00/869611600.db2.gz UQWARTUIJUWZKX-KRWDZBQOSA-N 2 2 398.551 3.672 20 0 GHADLP C[NH+]1CCC(CNC(=O)NCC2CCCCCCC2)([NH+]2CCCCC2)CC1 ZINC000745689677 869743664 /nfs/dbraw/zinc/74/36/64/869743664.db2.gz KZKXHRVKBKHQHR-UHFFFAOYSA-N 2 2 378.605 3.596 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000793618004 882334960 /nfs/dbraw/zinc/33/49/60/882334960.db2.gz IEEUWPKVHZKEQK-UHFFFAOYSA-N 2 2 390.478 3.536 20 0 GHADLP CN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CCCCCCC1 ZINC000745878148 869872400 /nfs/dbraw/zinc/87/24/00/869872400.db2.gz KBVQAOJOJOVSCG-UHFFFAOYSA-N 2 2 378.605 3.691 20 0 GHADLP O=C(Cc1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cs1)Nc1ccccc1 ZINC000173307140 882353344 /nfs/dbraw/zinc/35/33/44/882353344.db2.gz WIHFKXCZORUXKP-UHFFFAOYSA-N 2 2 398.576 3.632 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000462782397 870060300 /nfs/dbraw/zinc/06/03/00/870060300.db2.gz BWVAJDHTWCXFKG-CQSZACIVSA-N 2 2 388.430 3.653 20 0 GHADLP Cc1[nH+]cn(-c2ccc(NC(=O)c3ccccc3OCC[NH+](C)C)cc2)c1C ZINC000462770247 870067393 /nfs/dbraw/zinc/06/73/93/870067393.db2.gz XIRHJWOPMJUNAH-UHFFFAOYSA-N 2 2 378.476 3.682 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](C)[C@@H]3CCc4ccccc43)n2)CC1 ZINC000428447945 870070156 /nfs/dbraw/zinc/07/01/56/870070156.db2.gz QAEAELCFEGWITL-HXUWFJFHSA-N 2 2 398.576 3.933 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](C)[C@@H]3CCc4ccccc43)n2)CC1 ZINC000428447945 870070167 /nfs/dbraw/zinc/07/01/67/870070167.db2.gz QAEAELCFEGWITL-HXUWFJFHSA-N 2 2 398.576 3.933 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](C)[C@H]3CCc4ccccc43)n2)CC1 ZINC000428447942 870070259 /nfs/dbraw/zinc/07/02/59/870070259.db2.gz QAEAELCFEGWITL-FQEVSTJZSA-N 2 2 398.576 3.933 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](C)[C@H]3CCc4ccccc43)n2)CC1 ZINC000428447942 870070273 /nfs/dbraw/zinc/07/02/73/870070273.db2.gz QAEAELCFEGWITL-FQEVSTJZSA-N 2 2 398.576 3.933 20 0 GHADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000462824782 870165257 /nfs/dbraw/zinc/16/52/57/870165257.db2.gz YYPQJMOZFLYHMY-XMSQKQJNSA-N 2 2 398.595 3.756 20 0 GHADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000462824782 870165258 /nfs/dbraw/zinc/16/52/58/870165258.db2.gz YYPQJMOZFLYHMY-XMSQKQJNSA-N 2 2 398.595 3.756 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000462892681 870309690 /nfs/dbraw/zinc/30/96/90/870309690.db2.gz ARKPSJMNYDHXIF-RUCARUNLSA-N 2 2 398.469 3.959 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Oc3cccnc3)cc2)CC1 ZINC000462909666 870366179 /nfs/dbraw/zinc/36/61/79/870366179.db2.gz FTFQYZSINYCKOK-SFHVURJKSA-N 2 2 397.519 3.942 20 0 GHADLP COc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000538723175 870426755 /nfs/dbraw/zinc/42/67/55/870426755.db2.gz NNZDRYFOOOALFN-UHFFFAOYSA-N 3 2 394.003 3.977 20 0 GHADLP COc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000538723175 870426764 /nfs/dbraw/zinc/42/67/64/870426764.db2.gz NNZDRYFOOOALFN-UHFFFAOYSA-N 3 2 394.003 3.977 20 0 GHADLP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1C ZINC000122103037 882416886 /nfs/dbraw/zinc/41/68/86/882416886.db2.gz JBVHVDIBZRGKPU-SFHVURJKSA-N 2 2 387.568 3.993 20 0 GHADLP O=C(NCC1([NH+]2CCCCC2)CCCCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000061041923 870606397 /nfs/dbraw/zinc/60/63/97/870606397.db2.gz FXHZFRCWXMZIMZ-UHFFFAOYSA-N 2 2 399.583 3.538 20 0 GHADLP Cc1nnc([C@H]2CCC[N@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)[nH]1 ZINC001192730448 870622258 /nfs/dbraw/zinc/62/22/58/870622258.db2.gz ILEKCZCCFHVINZ-QFIPXVFZSA-N 2 2 381.568 3.637 20 0 GHADLP Cc1nnc([C@H]2CCC[N@@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)[nH]1 ZINC001192730448 870622266 /nfs/dbraw/zinc/62/22/66/870622266.db2.gz ILEKCZCCFHVINZ-QFIPXVFZSA-N 2 2 381.568 3.637 20 0 GHADLP CC(C)[C@H](CNC1CC[NH+](Cc2ccncc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000540192436 870725789 /nfs/dbraw/zinc/72/57/89/870725789.db2.gz MAMFKHQNFWGVSM-VWLOTQADSA-N 2 2 392.591 3.719 20 0 GHADLP CC(C)[C@H](CNC1CC[NH+](Cc2ccncc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000540192436 870725799 /nfs/dbraw/zinc/72/57/99/870725799.db2.gz MAMFKHQNFWGVSM-VWLOTQADSA-N 2 2 392.591 3.719 20 0 GHADLP Cc1ccc2c(CC[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cn(C)c2c1 ZINC000249171715 870779138 /nfs/dbraw/zinc/77/91/38/870779138.db2.gz BTIWDDYGXMRMQX-XXBNENTESA-N 2 2 376.548 3.924 20 0 GHADLP Cc1ccc2c(CC[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cn(C)c2c1 ZINC000249171715 870779146 /nfs/dbraw/zinc/77/91/46/870779146.db2.gz BTIWDDYGXMRMQX-XXBNENTESA-N 2 2 376.548 3.924 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000249470594 870840437 /nfs/dbraw/zinc/84/04/37/870840437.db2.gz UHZUXEDSHMZDQC-RXVVDRJESA-N 2 2 383.536 3.505 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000249470594 870840448 /nfs/dbraw/zinc/84/04/48/870840448.db2.gz UHZUXEDSHMZDQC-RXVVDRJESA-N 2 2 383.536 3.505 20 0 GHADLP CCCCc1nc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cs1 ZINC000540247284 870851240 /nfs/dbraw/zinc/85/12/40/870851240.db2.gz KZQNPBBHTLQUMV-QZTJIDSGSA-N 2 2 395.613 3.576 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)C1 ZINC000463126125 870937370 /nfs/dbraw/zinc/93/73/70/870937370.db2.gz YHSNEVCHMBLGFQ-SCDRESIJSA-N 3 2 387.612 3.766 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)C1 ZINC000463126125 870937382 /nfs/dbraw/zinc/93/73/82/870937382.db2.gz YHSNEVCHMBLGFQ-SCDRESIJSA-N 3 2 387.612 3.766 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)C1 ZINC000463126125 870937389 /nfs/dbraw/zinc/93/73/89/870937389.db2.gz YHSNEVCHMBLGFQ-SCDRESIJSA-N 3 2 387.612 3.766 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)C1 ZINC000463126125 870937404 /nfs/dbraw/zinc/93/74/04/870937404.db2.gz YHSNEVCHMBLGFQ-SCDRESIJSA-N 3 2 387.612 3.766 20 0 GHADLP CC1CC[NH+](Cc2ccc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)cc2)CC1 ZINC000538951595 870962737 /nfs/dbraw/zinc/96/27/37/870962737.db2.gz WZFVHKAJHDBASG-UHFFFAOYSA-N 2 2 375.476 3.752 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463134450 870979158 /nfs/dbraw/zinc/97/91/58/870979158.db2.gz ZLQKGKYZVYNSMD-SQJMNOBHSA-N 2 2 393.575 3.662 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463134450 870979161 /nfs/dbraw/zinc/97/91/61/870979161.db2.gz ZLQKGKYZVYNSMD-SQJMNOBHSA-N 2 2 393.575 3.662 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463134450 870979168 /nfs/dbraw/zinc/97/91/68/870979168.db2.gz ZLQKGKYZVYNSMD-SQJMNOBHSA-N 3 2 393.575 3.662 20 0 GHADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463134450 870979174 /nfs/dbraw/zinc/97/91/74/870979174.db2.gz ZLQKGKYZVYNSMD-SQJMNOBHSA-N 3 2 393.575 3.662 20 0 GHADLP C[N@H+](Cc1ccc2nc(NC(=O)Cc3cn4c([nH+]3)CCCC4)sc2c1)C1CC1 ZINC000617867230 870981644 /nfs/dbraw/zinc/98/16/44/870981644.db2.gz LXKPXKAXARJZMG-UHFFFAOYSA-N 2 2 395.532 3.605 20 0 GHADLP C[N@@H+](Cc1ccc2nc(NC(=O)Cc3cn4c([nH+]3)CCCC4)sc2c1)C1CC1 ZINC000617867230 870981650 /nfs/dbraw/zinc/98/16/50/870981650.db2.gz LXKPXKAXARJZMG-UHFFFAOYSA-N 2 2 395.532 3.605 20 0 GHADLP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001169077134 871149945 /nfs/dbraw/zinc/14/99/45/871149945.db2.gz ADJQMSVFGXBMAW-WXFUMESZSA-N 2 2 380.580 3.831 20 0 GHADLP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001169077134 871149950 /nfs/dbraw/zinc/14/99/50/871149950.db2.gz ADJQMSVFGXBMAW-WXFUMESZSA-N 2 2 380.580 3.831 20 0 GHADLP CC(C)C[C@H](Cc1ccccc1)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001169077134 871149955 /nfs/dbraw/zinc/14/99/55/871149955.db2.gz ADJQMSVFGXBMAW-WXFUMESZSA-N 2 2 380.580 3.831 20 0 GHADLP CC(C)C[C@H](Cc1ccccc1)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001169077134 871149958 /nfs/dbraw/zinc/14/99/58/871149958.db2.gz ADJQMSVFGXBMAW-WXFUMESZSA-N 2 2 380.580 3.831 20 0 GHADLP C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001169126060 871215517 /nfs/dbraw/zinc/21/55/17/871215517.db2.gz XIEVJJDUUDYMPW-KGLIPLIRSA-N 2 2 395.341 3.920 20 0 GHADLP C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001169126060 871215536 /nfs/dbraw/zinc/21/55/36/871215536.db2.gz XIEVJJDUUDYMPW-KGLIPLIRSA-N 2 2 395.341 3.920 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2OCC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000463248424 871263988 /nfs/dbraw/zinc/26/39/88/871263988.db2.gz TWILENUGQNHUAD-APWZRJJASA-N 2 2 375.463 3.868 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2OCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000463248424 871264005 /nfs/dbraw/zinc/26/40/05/871264005.db2.gz TWILENUGQNHUAD-APWZRJJASA-N 2 2 375.463 3.868 20 0 GHADLP CC[NH+]1CCC([NH+]2CCC3(CC[NH+](Cc4cccc(OC)c4)CC3)CC2)CC1 ZINC001169251472 871349022 /nfs/dbraw/zinc/34/90/22/871349022.db2.gz WOHNCOGWEXGMIX-UHFFFAOYSA-N 3 2 385.596 3.858 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)c(C)c1 ZINC000540507167 871443433 /nfs/dbraw/zinc/44/34/33/871443433.db2.gz YKTTUIHACSVYOL-DENIHFKCSA-N 2 2 397.544 3.693 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc(Br)ccc1Cl ZINC000539236845 871571047 /nfs/dbraw/zinc/57/10/47/871571047.db2.gz QTSSBLLPCRYUTQ-UHFFFAOYSA-N 2 2 388.781 3.560 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc(Br)ccc1Cl ZINC000539236845 871571055 /nfs/dbraw/zinc/57/10/55/871571055.db2.gz QTSSBLLPCRYUTQ-UHFFFAOYSA-N 2 2 388.781 3.560 20 0 GHADLP Cc1c2[nH+]c[nH]c2ccc1N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169522503 871598869 /nfs/dbraw/zinc/59/88/69/871598869.db2.gz VKZIATLNDIQRRU-YLJYHZDGSA-N 2 2 378.476 3.742 20 0 GHADLP CCOC(=O)N1CCC[C@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)CC1 ZINC001169668111 871736609 /nfs/dbraw/zinc/73/66/09/871736609.db2.gz FGIVNHFGSPJMEB-INIZCTEOSA-N 2 2 379.932 3.601 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000462204353 871805309 /nfs/dbraw/zinc/80/53/09/871805309.db2.gz UYCWHGUPTRPACF-QMMLZNLJSA-N 2 2 398.576 3.582 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000462204353 871805328 /nfs/dbraw/zinc/80/53/28/871805328.db2.gz UYCWHGUPTRPACF-QMMLZNLJSA-N 2 2 398.576 3.582 20 0 GHADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169765152 871853750 /nfs/dbraw/zinc/85/37/50/871853750.db2.gz TWFLNSNPJWOYJC-DEOSSOPVSA-N 2 2 391.559 3.888 20 0 GHADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169765152 871853761 /nfs/dbraw/zinc/85/37/61/871853761.db2.gz TWFLNSNPJWOYJC-DEOSSOPVSA-N 2 2 391.559 3.888 20 0 GHADLP CCCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[C@H](C)C1 ZINC001194715450 871913015 /nfs/dbraw/zinc/91/30/15/871913015.db2.gz ORGAUQKKAZXJCD-LEWJYISDSA-N 2 2 386.584 3.801 20 0 GHADLP CCCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[C@H](C)C1 ZINC001194715450 871913023 /nfs/dbraw/zinc/91/30/23/871913023.db2.gz ORGAUQKKAZXJCD-LEWJYISDSA-N 2 2 386.584 3.801 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@@H](C)[N@H+](Cc3ccccc3)CC1)C2 ZINC000526020341 871959707 /nfs/dbraw/zinc/95/97/07/871959707.db2.gz VIXIAPIWNWNMNY-QUCCMNQESA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc3ccccc3)CC1)C2 ZINC000526020341 871959718 /nfs/dbraw/zinc/95/97/18/871959718.db2.gz VIXIAPIWNWNMNY-QUCCMNQESA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@@H](C)[N@H+](Cc3ccccc3)CC1)CC2 ZINC000526020341 871959735 /nfs/dbraw/zinc/95/97/35/871959735.db2.gz VIXIAPIWNWNMNY-QUCCMNQESA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc3ccccc3)CC1)CC2 ZINC000526020341 871959753 /nfs/dbraw/zinc/95/97/53/871959753.db2.gz VIXIAPIWNWNMNY-QUCCMNQESA-N 2 2 394.563 3.761 20 0 GHADLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000429723172 872013729 /nfs/dbraw/zinc/01/37/29/872013729.db2.gz MTLHYPYWZJTBJK-UHFFFAOYSA-N 2 2 387.911 3.593 20 0 GHADLP CC(C)[C@H](c1ccccc1Cl)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093422423 872171024 /nfs/dbraw/zinc/17/10/24/872171024.db2.gz ZBIOEXXOCVWQAB-HXUWFJFHSA-N 2 2 387.959 3.711 20 0 GHADLP CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093422423 872171031 /nfs/dbraw/zinc/17/10/31/872171031.db2.gz ZBIOEXXOCVWQAB-HXUWFJFHSA-N 2 2 387.959 3.711 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[N@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000526998185 872394478 /nfs/dbraw/zinc/39/44/78/872394478.db2.gz OBRZKYVUFPSSTP-QUCCMNQESA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[N@@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000526998185 872394495 /nfs/dbraw/zinc/39/44/95/872394495.db2.gz OBRZKYVUFPSSTP-QUCCMNQESA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[N@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000526998185 872394510 /nfs/dbraw/zinc/39/45/10/872394510.db2.gz OBRZKYVUFPSSTP-QUCCMNQESA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[N@@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000526998185 872394519 /nfs/dbraw/zinc/39/45/19/872394519.db2.gz OBRZKYVUFPSSTP-QUCCMNQESA-N 2 2 394.563 3.761 20 0 GHADLP C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000478204603 872685898 /nfs/dbraw/zinc/68/58/98/872685898.db2.gz KQMLFQPQNOGTQC-GCJKJVERSA-N 2 2 395.551 3.563 20 0 GHADLP CC(C)=CCOc1cccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000460482387 882693533 /nfs/dbraw/zinc/69/35/33/882693533.db2.gz DJRRWZKVUVUTMD-UHFFFAOYSA-N 2 2 399.579 3.712 20 0 GHADLP CC1(C)CN(C2(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCCCC2)CCO1 ZINC000541390027 873462670 /nfs/dbraw/zinc/46/26/70/873462670.db2.gz UHHPPCJVEMIYQM-UHFFFAOYSA-N 2 2 388.581 3.837 20 0 GHADLP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000527693804 873463594 /nfs/dbraw/zinc/46/35/94/873463594.db2.gz YTLDEVBXEADVLT-INIZCTEOSA-N 2 2 380.866 3.865 20 0 GHADLP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000527693804 873463598 /nfs/dbraw/zinc/46/35/98/873463598.db2.gz YTLDEVBXEADVLT-INIZCTEOSA-N 2 2 380.866 3.865 20 0 GHADLP CC[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000464314957 873637235 /nfs/dbraw/zinc/63/72/35/873637235.db2.gz CDWQWUZIGGUXIR-VABKMULXSA-N 2 2 385.596 3.976 20 0 GHADLP CC[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000464314957 873637237 /nfs/dbraw/zinc/63/72/37/873637237.db2.gz CDWQWUZIGGUXIR-VABKMULXSA-N 2 2 385.596 3.976 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccccc2)cs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599232 873918594 /nfs/dbraw/zinc/91/85/94/873918594.db2.gz CIYREHDGKNLRTE-FUHWJXTLSA-N 2 2 398.576 3.991 20 0 GHADLP C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccccc2)cs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599232 873918601 /nfs/dbraw/zinc/91/86/01/873918601.db2.gz CIYREHDGKNLRTE-FUHWJXTLSA-N 2 2 398.576 3.991 20 0 GHADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000528148803 874088288 /nfs/dbraw/zinc/08/82/88/874088288.db2.gz PNCZXKFZTAJRJC-NQIIRXRSSA-N 2 2 399.583 3.515 20 0 GHADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000528148803 874088302 /nfs/dbraw/zinc/08/83/02/874088302.db2.gz PNCZXKFZTAJRJC-NQIIRXRSSA-N 2 2 399.583 3.515 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000769520225 874126418 /nfs/dbraw/zinc/12/64/18/874126418.db2.gz DLGLUZWAIVSOSA-ZWKOTPCHSA-N 2 2 397.604 3.644 20 0 GHADLP C[C@@H]1CCN(C(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)CCC1(F)F ZINC001198016985 874164612 /nfs/dbraw/zinc/16/46/12/874164612.db2.gz BTUASWMXDRBVNJ-QGZVFWFLSA-N 2 2 381.511 3.578 20 0 GHADLP C[C@@H]1CCN(C(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)CCC1(F)F ZINC001198016985 874164615 /nfs/dbraw/zinc/16/46/15/874164615.db2.gz BTUASWMXDRBVNJ-QGZVFWFLSA-N 2 2 381.511 3.578 20 0 GHADLP COc1cc2[nH]ccc2c(NC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)c1 ZINC001198030620 874187906 /nfs/dbraw/zinc/18/79/06/874187906.db2.gz MUOVUSNMTQGWKL-UHFFFAOYSA-N 2 2 394.519 3.812 20 0 GHADLP COc1cc2[nH]ccc2c(NC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)c1 ZINC001198030620 874187910 /nfs/dbraw/zinc/18/79/10/874187910.db2.gz MUOVUSNMTQGWKL-UHFFFAOYSA-N 2 2 394.519 3.812 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NC(C)(C)Cc2ccc(F)cc2)cc1 ZINC001198031100 874189655 /nfs/dbraw/zinc/18/96/55/874189655.db2.gz RZSYVOGKKVUFOE-UHFFFAOYSA-N 2 2 399.554 3.960 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NC(C)(C)Cc2ccc(F)cc2)cc1 ZINC001198031100 874189664 /nfs/dbraw/zinc/18/96/64/874189664.db2.gz RZSYVOGKKVUFOE-UHFFFAOYSA-N 2 2 399.554 3.960 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2cccc3c2C(=O)CCC3)cc1 ZINC001198031597 874190111 /nfs/dbraw/zinc/19/01/11/874190111.db2.gz WSARJCSGQHOXPH-UHFFFAOYSA-N 2 2 393.531 3.841 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2cccc3c2C(=O)CCC3)cc1 ZINC001198031597 874190116 /nfs/dbraw/zinc/19/01/16/874190116.db2.gz WSARJCSGQHOXPH-UHFFFAOYSA-N 2 2 393.531 3.841 20 0 GHADLP CCOC(=O)c1cc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)[nH]c1C ZINC000449025942 874362061 /nfs/dbraw/zinc/36/20/61/874362061.db2.gz DJMRWRLMPPDUBK-UHFFFAOYSA-N 2 2 384.524 3.633 20 0 GHADLP CCOC(=O)c1cc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)[nH]c1C ZINC000449025942 874362077 /nfs/dbraw/zinc/36/20/77/874362077.db2.gz DJMRWRLMPPDUBK-UHFFFAOYSA-N 2 2 384.524 3.633 20 0 GHADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000449092265 874491492 /nfs/dbraw/zinc/49/14/92/874491492.db2.gz TUGLVLVALSATQF-GOSISDBHSA-N 2 2 376.422 3.713 20 0 GHADLP CC[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804776 874517401 /nfs/dbraw/zinc/51/74/01/874517401.db2.gz IMVUNARMKCESNL-IRFCIJBXSA-N 2 2 386.584 3.561 20 0 GHADLP CC[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804776 874517406 /nfs/dbraw/zinc/51/74/06/874517406.db2.gz IMVUNARMKCESNL-IRFCIJBXSA-N 2 2 386.584 3.561 20 0 GHADLP CC[N@@H+](CC(=O)Nc1c(F)cccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808193 874562243 /nfs/dbraw/zinc/56/22/43/874562243.db2.gz JSAKQDURETVVPV-UHFFFAOYSA-N 2 2 388.462 3.537 20 0 GHADLP CC[N@H+](CC(=O)Nc1c(F)cccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808193 874562250 /nfs/dbraw/zinc/56/22/50/874562250.db2.gz JSAKQDURETVVPV-UHFFFAOYSA-N 2 2 388.462 3.537 20 0 GHADLP COc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc2ccccc21 ZINC000449191458 874566048 /nfs/dbraw/zinc/56/60/48/874566048.db2.gz SLUFRZUQFKTTPV-UHFFFAOYSA-N 2 2 390.531 3.808 20 0 GHADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464836246 874570179 /nfs/dbraw/zinc/57/01/79/874570179.db2.gz JQQOYOUJKSAJLL-RXVVDRJESA-N 2 2 399.966 3.799 20 0 GHADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464836246 874570184 /nfs/dbraw/zinc/57/01/84/874570184.db2.gz JQQOYOUJKSAJLL-RXVVDRJESA-N 2 2 399.966 3.799 20 0 GHADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464836246 874570197 /nfs/dbraw/zinc/57/01/97/874570197.db2.gz JQQOYOUJKSAJLL-RXVVDRJESA-N 2 2 399.966 3.799 20 0 GHADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464836246 874570205 /nfs/dbraw/zinc/57/02/05/874570205.db2.gz JQQOYOUJKSAJLL-RXVVDRJESA-N 2 2 399.966 3.799 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ncccc2Cl)CC1 ZINC000528438071 874574859 /nfs/dbraw/zinc/57/48/59/874574859.db2.gz QUOVLBBEHXFOKF-HNNXBMFYSA-N 2 2 376.907 3.867 20 0 GHADLP COc1ncc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1Cl ZINC000449457093 874882430 /nfs/dbraw/zinc/88/24/30/874882430.db2.gz GSNZXSQRHPVSMD-UHFFFAOYSA-N 2 2 377.891 3.679 20 0 GHADLP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000449526648 875002966 /nfs/dbraw/zinc/00/29/66/875002966.db2.gz WZRRTTNXPFJGRW-GOSISDBHSA-N 2 2 395.547 3.839 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542133276 875032262 /nfs/dbraw/zinc/03/22/62/875032262.db2.gz SOBKIACCAIZFCS-FQEVSTJZSA-N 2 2 382.552 3.813 20 0 GHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2F)CC1(C)C ZINC000858185025 882918637 /nfs/dbraw/zinc/91/86/37/882918637.db2.gz ZIMRWYSCOGQMAC-QGZVFWFLSA-N 2 2 379.520 3.813 20 0 GHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2F)CC1(C)C ZINC000858185025 882918646 /nfs/dbraw/zinc/91/86/46/882918646.db2.gz ZIMRWYSCOGQMAC-QGZVFWFLSA-N 2 2 379.520 3.813 20 0 GHADLP C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000460490545 882935183 /nfs/dbraw/zinc/93/51/83/882935183.db2.gz MSTHOTADJSJGMU-WCIQWLHISA-N 2 2 399.579 3.573 20 0 GHADLP C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001201593933 875773148 /nfs/dbraw/zinc/77/31/48/875773148.db2.gz BVTBYNVUYAMIJA-IEBWSBKVSA-N 2 2 375.557 3.790 20 0 GHADLP C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001201593933 875773156 /nfs/dbraw/zinc/77/31/56/875773156.db2.gz BVTBYNVUYAMIJA-IEBWSBKVSA-N 2 2 375.557 3.790 20 0 GHADLP COc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc2c1OCCO2 ZINC001201600304 875779364 /nfs/dbraw/zinc/77/93/64/875779364.db2.gz JSTVZWRIKAKBKI-FQEVSTJZSA-N 2 2 393.487 3.811 20 0 GHADLP CC(C)[C@H](c1ccccc1)[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303564006 875809063 /nfs/dbraw/zinc/80/90/63/875809063.db2.gz XNQADHJZKOXFSC-XMMPIXPASA-N 2 2 395.547 3.786 20 0 GHADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)CCO1 ZINC001201676201 875809258 /nfs/dbraw/zinc/80/92/58/875809258.db2.gz NPIFETKAFSFIQH-XLIONFOSSA-N 2 2 377.916 3.909 20 0 GHADLP C[NH+]1CCN(c2cc(Nc3cc[nH+]c4cc(Br)ccc34)cc[nH+]2)CC1 ZINC001201658262 875817391 /nfs/dbraw/zinc/81/73/91/875817391.db2.gz VDHIQIKPTAOLOL-UHFFFAOYSA-N 3 2 398.308 3.888 20 0 GHADLP C[NH+]1CCC(CNC(=O)Cc2cc(Cl)ccc2Cl)([NH+]2CCCCC2)CC1 ZINC000172753790 875900028 /nfs/dbraw/zinc/90/00/28/875900028.db2.gz IOJJTJFWGPVIJR-UHFFFAOYSA-N 2 2 398.378 3.602 20 0 GHADLP CN(C(=O)CCCC(=O)C(C)(C)C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450225928 876088487 /nfs/dbraw/zinc/08/84/87/876088487.db2.gz INVOICTVXRLZSI-WOJBJXKFSA-N 2 2 393.616 3.568 20 0 GHADLP CN(C(=O)CCCC(=O)C(C)(C)C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450225928 876088490 /nfs/dbraw/zinc/08/84/90/876088490.db2.gz INVOICTVXRLZSI-WOJBJXKFSA-N 2 2 393.616 3.568 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3C[C@H](c4ccccc4)CO3)CC2)cc1 ZINC000850378164 876863528 /nfs/dbraw/zinc/86/35/28/876863528.db2.gz UWBDXIUNIYFTHV-RDPSFJRHSA-N 2 2 379.548 3.884 20 0 GHADLP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)n(C)n1 ZINC000850398246 876879962 /nfs/dbraw/zinc/87/99/62/876879962.db2.gz MCPAHAKMYHKYLT-DVECYGJZSA-N 2 2 395.595 3.764 20 0 GHADLP CC(C)c1ccc(C2(O)CCC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)cc1 ZINC000850556230 877023205 /nfs/dbraw/zinc/02/32/05/877023205.db2.gz DTSXANUFMJCIBO-SHSGKGFPSA-N 2 2 386.580 3.783 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1c(=S)n(-c2ccccc2)nc1C1CC1 ZINC000746626355 877095762 /nfs/dbraw/zinc/09/57/62/877095762.db2.gz FOOISWAXDCBTBY-UHFFFAOYSA-N 2 2 382.537 3.765 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1c(=S)n(-c2ccccc2)nc1C1CC1 ZINC000746626355 877095777 /nfs/dbraw/zinc/09/57/77/877095777.db2.gz FOOISWAXDCBTBY-UHFFFAOYSA-N 2 2 382.537 3.765 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2cc(Cl)ccc2F)([NH+]2CCCCC2)CC1 ZINC000174608000 877123153 /nfs/dbraw/zinc/12/31/53/877123153.db2.gz SZVGKXRARDHFSB-UHFFFAOYSA-N 2 2 382.911 3.551 20 0 GHADLP C[N@H+](Cc1ccc(Br)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655451 877153770 /nfs/dbraw/zinc/15/37/70/877153770.db2.gz CKFAZUQWZULFJH-UHFFFAOYSA-N 2 2 388.353 3.983 20 0 GHADLP C[N@@H+](Cc1ccc(Br)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655451 877153798 /nfs/dbraw/zinc/15/37/98/877153798.db2.gz CKFAZUQWZULFJH-UHFFFAOYSA-N 2 2 388.353 3.983 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134907358 883101320 /nfs/dbraw/zinc/10/13/20/883101320.db2.gz GYYHSRTXWQWIQQ-NSISKUIASA-N 2 2 387.593 3.533 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134907358 883101325 /nfs/dbraw/zinc/10/13/25/883101325.db2.gz GYYHSRTXWQWIQQ-NSISKUIASA-N 2 2 387.593 3.533 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134907358 883101331 /nfs/dbraw/zinc/10/13/31/883101331.db2.gz GYYHSRTXWQWIQQ-NSISKUIASA-N 2 2 387.593 3.533 20 0 GHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134907358 883101336 /nfs/dbraw/zinc/10/13/36/883101336.db2.gz GYYHSRTXWQWIQQ-NSISKUIASA-N 2 2 387.593 3.533 20 0 GHADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000543699101 877242548 /nfs/dbraw/zinc/24/25/48/877242548.db2.gz BFZTXWSNKMZXAY-GOSISDBHSA-N 2 2 390.890 3.507 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000174895641 877316713 /nfs/dbraw/zinc/31/67/13/877316713.db2.gz CHZLNLCXRQEAFB-HSZRJFAPSA-N 2 2 394.563 3.840 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000174895641 877316730 /nfs/dbraw/zinc/31/67/30/877316730.db2.gz CHZLNLCXRQEAFB-HSZRJFAPSA-N 2 2 394.563 3.840 20 0 GHADLP CC(C)CCOc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000174978085 877381669 /nfs/dbraw/zinc/38/16/69/877381669.db2.gz XFZSJKQUJGUOHR-UHFFFAOYSA-N 2 2 390.572 3.601 20 0 GHADLP CC(C)CCOc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000174978085 877381679 /nfs/dbraw/zinc/38/16/79/877381679.db2.gz XFZSJKQUJGUOHR-UHFFFAOYSA-N 2 2 390.572 3.601 20 0 GHADLP Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000080660427 877538483 /nfs/dbraw/zinc/53/84/83/877538483.db2.gz VLSIMRGIMUUMIW-LJQANCHMSA-N 2 2 388.600 3.549 20 0 GHADLP Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000080660427 877538503 /nfs/dbraw/zinc/53/85/03/877538503.db2.gz VLSIMRGIMUUMIW-LJQANCHMSA-N 2 2 388.600 3.549 20 0 GHADLP Cc1ccnc(OC2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000551702224 877671054 /nfs/dbraw/zinc/67/10/54/877671054.db2.gz CJKSKWUCJCLGGG-QHCPKHFHSA-N 2 2 395.547 3.524 20 0 GHADLP Cc1ccnc(OC2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000551702224 877671066 /nfs/dbraw/zinc/67/10/66/877671066.db2.gz CJKSKWUCJCLGGG-QHCPKHFHSA-N 2 2 395.547 3.524 20 0 GHADLP O=C(OC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000851468419 877726142 /nfs/dbraw/zinc/72/61/42/877726142.db2.gz MMDFRONCNINHQH-KRWDZBQOSA-N 2 2 398.413 3.636 20 0 GHADLP O=C(OC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000851468419 877726157 /nfs/dbraw/zinc/72/61/57/877726157.db2.gz MMDFRONCNINHQH-KRWDZBQOSA-N 2 2 398.413 3.636 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)[C@@H](C)C1 ZINC000245428692 877866093 /nfs/dbraw/zinc/86/60/93/877866093.db2.gz MQVANERAOFPLFZ-PXNSSMCTSA-N 2 2 377.548 3.615 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)[C@@H](C)C1 ZINC000245428692 877866112 /nfs/dbraw/zinc/86/61/12/877866112.db2.gz MQVANERAOFPLFZ-PXNSSMCTSA-N 2 2 377.548 3.615 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)[C@@H](C)C1 ZINC000245428692 877866124 /nfs/dbraw/zinc/86/61/24/877866124.db2.gz MQVANERAOFPLFZ-PXNSSMCTSA-N 2 2 377.548 3.615 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)[C@@H](C)C1 ZINC000245428692 877866145 /nfs/dbraw/zinc/86/61/45/877866145.db2.gz MQVANERAOFPLFZ-PXNSSMCTSA-N 2 2 377.548 3.615 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000121849620 877903442 /nfs/dbraw/zinc/90/34/42/877903442.db2.gz ONJYXRGDDWILMA-HNNXBMFYSA-N 2 2 397.548 3.865 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000121849620 877903450 /nfs/dbraw/zinc/90/34/50/877903450.db2.gz ONJYXRGDDWILMA-HNNXBMFYSA-N 2 2 397.548 3.865 20 0 GHADLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cnccc2NC(=O)OC(C)(C)C)CC1 ZINC000788432684 878055720 /nfs/dbraw/zinc/05/57/20/878055720.db2.gz ZYOAZMMRBNIMPB-MRXNPFEDSA-N 2 2 376.545 3.622 20 0 GHADLP CN(C(=O)Nc1ccc(F)c(F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245572605 878131594 /nfs/dbraw/zinc/13/15/94/878131594.db2.gz CKCHTVQYKVMIJN-VQTJNVASSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1ccc(F)c(F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245572605 878131601 /nfs/dbraw/zinc/13/16/01/878131601.db2.gz CKCHTVQYKVMIJN-VQTJNVASSA-N 2 2 394.510 3.766 20 0 GHADLP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000788565143 878156572 /nfs/dbraw/zinc/15/65/72/878156572.db2.gz ZFLNAWOVOCGPRD-HKUYNNGSSA-N 2 2 384.524 3.998 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cc2ccccc2o1 ZINC000245594818 878167844 /nfs/dbraw/zinc/16/78/44/878167844.db2.gz LGURQCICWICBRI-VUHPKUFZSA-N 2 2 380.492 3.778 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cc2ccccc2o1 ZINC000245594818 878167849 /nfs/dbraw/zinc/16/78/49/878167849.db2.gz LGURQCICWICBRI-VUHPKUFZSA-N 2 2 380.492 3.778 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H](C2CC[NH+](CCCn3cc[nH+]c3)CC2)C1 ZINC000852296697 878207174 /nfs/dbraw/zinc/20/71/74/878207174.db2.gz QGHAJLRDGWFHAG-IBGZPJMESA-N 2 2 376.545 3.632 20 0 GHADLP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000788638738 878230444 /nfs/dbraw/zinc/23/04/44/878230444.db2.gz JCYLPEBIUVJVEO-FXAWDEMLSA-N 2 2 384.524 3.998 20 0 GHADLP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000788638740 878231229 /nfs/dbraw/zinc/23/12/29/878231229.db2.gz JCYLPEBIUVJVEO-PXNSSMCTSA-N 2 2 384.524 3.998 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000451630273 878242664 /nfs/dbraw/zinc/24/26/64/878242664.db2.gz SIBQSEIOSXRHPV-ZRBLBEILSA-N 2 2 384.564 3.559 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000451630273 878242683 /nfs/dbraw/zinc/24/26/83/878242683.db2.gz SIBQSEIOSXRHPV-ZRBLBEILSA-N 2 2 384.564 3.559 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000451630273 878242702 /nfs/dbraw/zinc/24/27/02/878242702.db2.gz SIBQSEIOSXRHPV-ZRBLBEILSA-N 2 2 384.564 3.559 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000451630273 878242723 /nfs/dbraw/zinc/24/27/23/878242723.db2.gz SIBQSEIOSXRHPV-ZRBLBEILSA-N 2 2 384.564 3.559 20 0 GHADLP CN(C(=O)c1ccc(F)cc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245673366 878339911 /nfs/dbraw/zinc/33/99/11/878339911.db2.gz FHTNNEMTDKBUBJ-VQTJNVASSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1ccc(F)cc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245673366 878339927 /nfs/dbraw/zinc/33/99/27/878339927.db2.gz FHTNNEMTDKBUBJ-VQTJNVASSA-N 2 2 395.950 3.888 20 0 GHADLP Cc1cccc([C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C(C)(C)C)c1 ZINC000176856417 878453015 /nfs/dbraw/zinc/45/30/15/878453015.db2.gz CAFAUYXRWTTYRR-OAQYLSRUSA-N 2 2 388.600 3.750 20 0 GHADLP Cc1cccc([C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C(C)(C)C)c1 ZINC000176856417 878453027 /nfs/dbraw/zinc/45/30/27/878453027.db2.gz CAFAUYXRWTTYRR-OAQYLSRUSA-N 2 2 388.600 3.750 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245714973 878454128 /nfs/dbraw/zinc/45/41/28/878454128.db2.gz GSOKPALUXTYDIT-IFXJQAMLSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245714973 878454134 /nfs/dbraw/zinc/45/41/34/878454134.db2.gz GSOKPALUXTYDIT-IFXJQAMLSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245714973 878454137 /nfs/dbraw/zinc/45/41/37/878454137.db2.gz GSOKPALUXTYDIT-IFXJQAMLSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245714973 878454141 /nfs/dbraw/zinc/45/41/41/878454141.db2.gz GSOKPALUXTYDIT-IFXJQAMLSA-N 2 2 391.357 3.858 20 0 GHADLP C[NH+]1CCN(c2cc(C[NH2+][C@H](c3ccccc3)c3ccc(F)cc3)ccn2)CC1 ZINC000177222677 878605864 /nfs/dbraw/zinc/60/58/64/878605864.db2.gz SPWVQJNUUMIAKS-XMMPIXPASA-N 2 2 390.506 3.852 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245799367 878609637 /nfs/dbraw/zinc/60/96/37/878609637.db2.gz XMXPYTSSPQGYKB-YJBOKZPZSA-N 2 2 399.373 3.779 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245799367 878609645 /nfs/dbraw/zinc/60/96/45/878609645.db2.gz XMXPYTSSPQGYKB-YJBOKZPZSA-N 2 2 399.373 3.779 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245799367 878609653 /nfs/dbraw/zinc/60/96/53/878609653.db2.gz XMXPYTSSPQGYKB-YJBOKZPZSA-N 2 2 399.373 3.779 20 0 GHADLP CCOCCOc1ccc(Br)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245799367 878609662 /nfs/dbraw/zinc/60/96/62/878609662.db2.gz XMXPYTSSPQGYKB-YJBOKZPZSA-N 2 2 399.373 3.779 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1sccc1-c1ccc(F)cc1 ZINC000068467939 878625242 /nfs/dbraw/zinc/62/52/42/878625242.db2.gz JIOHRZXTUPSORJ-UHFFFAOYSA-N 2 2 389.540 3.652 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1sccc1-c1ccc(F)cc1 ZINC000068467939 878625249 /nfs/dbraw/zinc/62/52/49/878625249.db2.gz JIOHRZXTUPSORJ-UHFFFAOYSA-N 2 2 389.540 3.652 20 0 GHADLP C[C@@H](c1c(F)cccc1F)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000538046110 878757061 /nfs/dbraw/zinc/75/70/61/878757061.db2.gz WIXQAQPCMXPWMU-ZACQAIPSSA-N 2 2 382.495 3.616 20 0 GHADLP Cc1ccc(Nc2nc(CN(C)CC[N@H+](C)C3CC[NH+](C)CC3)cs2)cc1 ZINC000538122205 878847607 /nfs/dbraw/zinc/84/76/07/878847607.db2.gz RYJCOHRVSRUGLA-UHFFFAOYSA-N 2 2 387.597 3.653 20 0 GHADLP Cc1ccc(Nc2nc(CN(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cs2)cc1 ZINC000538122205 878847620 /nfs/dbraw/zinc/84/76/20/878847620.db2.gz RYJCOHRVSRUGLA-UHFFFAOYSA-N 2 2 387.597 3.653 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1nc2ccccc2n1C ZINC000246115678 879007862 /nfs/dbraw/zinc/00/78/62/879007862.db2.gz QDQTWKWKPKYVGP-ZWKOTPCHSA-N 2 2 378.520 3.645 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1nc2ccccc2n1C ZINC000246115678 879007879 /nfs/dbraw/zinc/00/78/79/879007879.db2.gz QDQTWKWKPKYVGP-ZWKOTPCHSA-N 2 2 378.520 3.645 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000531105504 879140679 /nfs/dbraw/zinc/14/06/79/879140679.db2.gz LYSDMMWFQPNSJX-FGZHOGPDSA-N 2 2 385.596 3.786 20 0 GHADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000531105504 879140691 /nfs/dbraw/zinc/14/06/91/879140691.db2.gz LYSDMMWFQPNSJX-FGZHOGPDSA-N 2 2 385.596 3.786 20 0 GHADLP C[NH+](C)CCn1ccc2ccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc21 ZINC000538333009 879286151 /nfs/dbraw/zinc/28/61/51/879286151.db2.gz UEMITAXTFWKWID-UHFFFAOYSA-N 2 2 387.487 3.700 20 0 GHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]([C@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000538349253 879330082 /nfs/dbraw/zinc/33/00/82/879330082.db2.gz PKVMOPXMUMTQRM-HXUWFJFHSA-N 2 2 395.547 3.848 20 0 GHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]([C@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000538349253 879330097 /nfs/dbraw/zinc/33/00/97/879330097.db2.gz PKVMOPXMUMTQRM-HXUWFJFHSA-N 2 2 395.547 3.848 20 0 GHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]([C@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000538349253 879330117 /nfs/dbraw/zinc/33/01/17/879330117.db2.gz PKVMOPXMUMTQRM-HXUWFJFHSA-N 2 2 395.547 3.848 20 0 GHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]([C@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000538349253 879330131 /nfs/dbraw/zinc/33/01/31/879330131.db2.gz PKVMOPXMUMTQRM-HXUWFJFHSA-N 2 2 395.547 3.848 20 0 GHADLP CCc1ncsc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538354729 879341364 /nfs/dbraw/zinc/34/13/64/879341364.db2.gz WCCNMKWEXCRFME-ROUUACIJSA-N 2 2 393.601 3.506 20 0 GHADLP CCc1ncsc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538354729 879341385 /nfs/dbraw/zinc/34/13/85/879341385.db2.gz WCCNMKWEXCRFME-ROUUACIJSA-N 2 2 393.601 3.506 20 0 GHADLP COc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1Cn1cccn1 ZINC000854221857 879638934 /nfs/dbraw/zinc/63/89/34/879638934.db2.gz BIMHZRFLNHWYGQ-SXSPYAJSSA-N 2 2 390.531 3.736 20 0 GHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000854223780 879641749 /nfs/dbraw/zinc/64/17/49/879641749.db2.gz HLFIHDOSJFHCIG-IPHXSNPTSA-N 2 2 383.467 3.579 20 0 GHADLP COC(=O)c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)oc1C ZINC000531342782 879660838 /nfs/dbraw/zinc/66/08/38/879660838.db2.gz ABVSYKZEFGSCCQ-QHCPKHFHSA-N 2 2 382.504 3.863 20 0 GHADLP COC(=O)c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)oc1C ZINC000531342782 879660848 /nfs/dbraw/zinc/66/08/48/879660848.db2.gz ABVSYKZEFGSCCQ-QHCPKHFHSA-N 2 2 382.504 3.863 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)oc1C ZINC000531342782 879660851 /nfs/dbraw/zinc/66/08/51/879660851.db2.gz ABVSYKZEFGSCCQ-QHCPKHFHSA-N 2 2 382.504 3.863 20 0 GHADLP COC(=O)c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)oc1C ZINC000531342782 879660859 /nfs/dbraw/zinc/66/08/59/879660859.db2.gz ABVSYKZEFGSCCQ-QHCPKHFHSA-N 2 2 382.504 3.863 20 0 GHADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000531427298 879813370 /nfs/dbraw/zinc/81/33/70/879813370.db2.gz XCAMQLNUFAFVPO-GFCCVEGCSA-N 2 2 382.386 3.515 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000246925002 879851666 /nfs/dbraw/zinc/85/16/66/879851666.db2.gz NBYQIWWCEKLWBL-WWNPGLIZSA-N 2 2 399.579 3.555 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000246925002 879851678 /nfs/dbraw/zinc/85/16/78/879851678.db2.gz NBYQIWWCEKLWBL-WWNPGLIZSA-N 2 2 399.579 3.555 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000246925002 879851692 /nfs/dbraw/zinc/85/16/92/879851692.db2.gz NBYQIWWCEKLWBL-WWNPGLIZSA-N 2 2 399.579 3.555 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000246925002 879851707 /nfs/dbraw/zinc/85/17/07/879851707.db2.gz NBYQIWWCEKLWBL-WWNPGLIZSA-N 2 2 399.579 3.555 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H](C)C1 ZINC000247245259 879952570 /nfs/dbraw/zinc/95/25/70/879952570.db2.gz ZEIJHVRMWDXDOL-UGKGYDQZSA-N 2 2 396.579 3.588 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H](C)C1 ZINC000247245259 879952571 /nfs/dbraw/zinc/95/25/71/879952571.db2.gz ZEIJHVRMWDXDOL-UGKGYDQZSA-N 2 2 396.579 3.588 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000247776390 880064588 /nfs/dbraw/zinc/06/45/88/880064588.db2.gz WWFGISUNDMQPKI-QWQRMKEZSA-N 2 2 395.334 3.950 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000247776390 880064601 /nfs/dbraw/zinc/06/46/01/880064601.db2.gz WWFGISUNDMQPKI-QWQRMKEZSA-N 2 2 395.334 3.950 20 0 GHADLP COC(=[NH2+])c1cccc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)c1 ZINC001170147862 880177220 /nfs/dbraw/zinc/17/72/20/880177220.db2.gz JJJGHVSFMUMCMY-UHFFFAOYSA-N 2 2 388.475 3.568 20 0 GHADLP C[N@H+](Cc1ccc2nc(NC(=O)c3cccc4[nH+]ccn43)sc2c1)C1CC1 ZINC000855469972 880535951 /nfs/dbraw/zinc/53/59/51/880535951.db2.gz YZGPJJQFCLYWAV-UHFFFAOYSA-N 2 2 377.473 3.791 20 0 GHADLP C[N@@H+](Cc1ccc2nc(NC(=O)c3cccc4[nH+]ccn43)sc2c1)C1CC1 ZINC000855469972 880535962 /nfs/dbraw/zinc/53/59/62/880535962.db2.gz YZGPJJQFCLYWAV-UHFFFAOYSA-N 2 2 377.473 3.791 20 0 GHADLP CCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000531891672 880692112 /nfs/dbraw/zinc/69/21/12/880692112.db2.gz CHNWXEAECIBPGY-NQIIRXRSSA-N 2 2 391.519 3.701 20 0 GHADLP CCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000531891672 880692120 /nfs/dbraw/zinc/69/21/20/880692120.db2.gz CHNWXEAECIBPGY-NQIIRXRSSA-N 2 2 391.519 3.701 20 0 GHADLP COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453324389 880795848 /nfs/dbraw/zinc/79/58/48/880795848.db2.gz LBEMEMHHMFRAQR-QGZVFWFLSA-N 2 2 381.520 3.969 20 0 GHADLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1OC(F)F ZINC000531965519 880831362 /nfs/dbraw/zinc/83/13/62/880831362.db2.gz FOYURKMWWJHWFZ-XLIONFOSSA-N 2 2 389.490 3.927 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453372136 880855938 /nfs/dbraw/zinc/85/59/38/880855938.db2.gz OACOIPVFACVLOY-CZGNIMDHSA-N 2 2 379.508 3.917 20 0 GHADLP Cc1cc(Br)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000453562539 881012342 /nfs/dbraw/zinc/01/23/42/881012342.db2.gz BYSQMGQTLCVVQL-JKSUJKDBSA-N 2 2 387.387 3.677 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000792282151 881012340 /nfs/dbraw/zinc/01/23/40/881012340.db2.gz ODBLWAIDERKEGY-MJGOQNOKSA-N 2 2 384.524 3.916 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000792282151 881012353 /nfs/dbraw/zinc/01/23/53/881012353.db2.gz ODBLWAIDERKEGY-MJGOQNOKSA-N 2 2 384.524 3.916 20 0 GHADLP C[C@]([NH3+])(C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000262979605 881176989 /nfs/dbraw/zinc/17/69/89/881176989.db2.gz YNSPVOPXHJQTEV-JOCHJYFZSA-N 2 2 392.528 3.514 20 0 GHADLP C[C@]([NH3+])(C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000262979605 881176994 /nfs/dbraw/zinc/17/69/94/881176994.db2.gz YNSPVOPXHJQTEV-JOCHJYFZSA-N 2 2 392.528 3.514 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccco2)Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000136086891 883654022 /nfs/dbraw/zinc/65/40/22/883654022.db2.gz FNWIGSJFUCHUOP-KNQAVFIVSA-N 2 2 392.503 3.588 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccco2)Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000136086891 883654030 /nfs/dbraw/zinc/65/40/30/883654030.db2.gz FNWIGSJFUCHUOP-KNQAVFIVSA-N 2 2 392.503 3.588 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000556225502 884154838 /nfs/dbraw/zinc/15/48/38/884154838.db2.gz VOCBPHBCPDCZHG-AUUYWEPGSA-N 2 2 392.316 3.983 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000556225502 884154843 /nfs/dbraw/zinc/15/48/43/884154843.db2.gz VOCBPHBCPDCZHG-AUUYWEPGSA-N 2 2 392.316 3.983 20 0 GHADLP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000498367383 884180493 /nfs/dbraw/zinc/18/04/93/884180493.db2.gz LEQIOEONSKWVKC-IBGZPJMESA-N 2 2 383.540 3.841 20 0 GHADLP CC[C@@H]1CC([N@H+]2CCc3[nH+]ccn3CC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170492023 884203783 /nfs/dbraw/zinc/20/37/83/884203783.db2.gz LQLVALXSZKYZPC-IAGOWNOFSA-N 2 2 376.545 3.698 20 0 GHADLP CC[C@@H]1CC([N@@H+]2CCc3[nH+]ccn3CC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170492023 884203796 /nfs/dbraw/zinc/20/37/96/884203796.db2.gz LQLVALXSZKYZPC-IAGOWNOFSA-N 2 2 376.545 3.698 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3c(F)cccc3OC(F)(F)F)[nH+]c2)C1 ZINC000556329191 884486526 /nfs/dbraw/zinc/48/65/26/884486526.db2.gz HJXKOLRCMWCSBZ-AWEZNQCLSA-N 2 2 398.404 3.872 20 0 GHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000495079806 884505121 /nfs/dbraw/zinc/50/51/21/884505121.db2.gz BDXHMWKCOGAMBE-QZTJIDSGSA-N 2 2 391.968 3.615 20 0 GHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000495079806 884505137 /nfs/dbraw/zinc/50/51/37/884505137.db2.gz BDXHMWKCOGAMBE-QZTJIDSGSA-N 2 2 391.968 3.615 20 0 GHADLP OC[C@@H]1COc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000897948840 884524852 /nfs/dbraw/zinc/52/48/52/884524852.db2.gz RITJOVXPMUTMCW-KFELQJHASA-N 2 2 378.516 3.686 20 0 GHADLP OC[C@@H]1COc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000897948840 884524863 /nfs/dbraw/zinc/52/48/63/884524863.db2.gz RITJOVXPMUTMCW-KFELQJHASA-N 2 2 378.516 3.686 20 0 GHADLP OC[C@@H]1COc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000897948042 884525495 /nfs/dbraw/zinc/52/54/95/884525495.db2.gz HTZKMNACQIHLEV-ZRCGQRJVSA-N 2 2 378.516 3.515 20 0 GHADLP OC[C@@H]1COc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000897948042 884525509 /nfs/dbraw/zinc/52/55/09/884525509.db2.gz HTZKMNACQIHLEV-ZRCGQRJVSA-N 2 2 378.516 3.515 20 0 GHADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[NH+](C)C ZINC000806551432 884772154 /nfs/dbraw/zinc/77/21/54/884772154.db2.gz NCORODLRHZEJCD-XMSQKQJNSA-N 2 2 391.519 3.671 20 0 GHADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498561525 884835092 /nfs/dbraw/zinc/83/50/92/884835092.db2.gz GCQZEIHMJQPXPN-VQTJNVASSA-N 2 2 382.527 3.816 20 0 GHADLP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498561525 884835107 /nfs/dbraw/zinc/83/51/07/884835107.db2.gz GCQZEIHMJQPXPN-VQTJNVASSA-N 2 2 382.527 3.816 20 0 GHADLP O=C(CC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000053158101 885079245 /nfs/dbraw/zinc/07/92/45/885079245.db2.gz FNNPTYFQKSTPLZ-HXUWFJFHSA-N 2 2 398.938 3.611 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000053158101 885079260 /nfs/dbraw/zinc/07/92/60/885079260.db2.gz FNNPTYFQKSTPLZ-HXUWFJFHSA-N 2 2 398.938 3.611 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000671191766 885177795 /nfs/dbraw/zinc/17/77/95/885177795.db2.gz AUGRZWREPMBEDK-QFIPXVFZSA-N 2 2 391.515 3.758 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000671191766 885177811 /nfs/dbraw/zinc/17/78/11/885177811.db2.gz AUGRZWREPMBEDK-QFIPXVFZSA-N 2 2 391.515 3.758 20 0 GHADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000556511148 885184756 /nfs/dbraw/zinc/18/47/56/885184756.db2.gz SMJPVZGJXGSANZ-KRWDZBQOSA-N 2 2 383.517 3.825 20 0 GHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000550622937 885551689 /nfs/dbraw/zinc/55/16/89/885551689.db2.gz QXDKNGLJOPPRKJ-MSOLQXFVSA-N 2 2 379.426 3.948 20 0 GHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000550622937 885551696 /nfs/dbraw/zinc/55/16/96/885551696.db2.gz QXDKNGLJOPPRKJ-MSOLQXFVSA-N 2 2 379.426 3.948 20 0 GHADLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000108372514 885669455 /nfs/dbraw/zinc/66/94/55/885669455.db2.gz YBLFNZUGFIHFPP-HXUWFJFHSA-N 2 2 384.520 3.681 20 0 GHADLP C[C@H]1[C@H]([NH2+]CCc2cc(F)cc3c2OCOC3)CCC[N@@H+]1Cc1ccccc1 ZINC000550644024 885715387 /nfs/dbraw/zinc/71/53/87/885715387.db2.gz JXNAGHJNZZMUSB-HTAPYJJXSA-N 2 2 384.495 3.877 20 0 GHADLP C[C@H]1[C@H]([NH2+]CCc2cc(F)cc3c2OCOC3)CCC[N@H+]1Cc1ccccc1 ZINC000550644024 885715401 /nfs/dbraw/zinc/71/54/01/885715401.db2.gz JXNAGHJNZZMUSB-HTAPYJJXSA-N 2 2 384.495 3.877 20 0 GHADLP COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)[NH+](C)C)cc1OC ZINC000550678818 885849648 /nfs/dbraw/zinc/84/96/48/885849648.db2.gz UYOGEDXTXKWISV-FSSWDIPSSA-N 2 2 397.563 3.732 20 0 GHADLP COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)[NH+](C)C)cc1OC ZINC000550678818 885849660 /nfs/dbraw/zinc/84/96/60/885849660.db2.gz UYOGEDXTXKWISV-FSSWDIPSSA-N 2 2 397.563 3.732 20 0 GHADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)N(C)C)cc1OC ZINC000550678818 885849669 /nfs/dbraw/zinc/84/96/69/885849669.db2.gz UYOGEDXTXKWISV-FSSWDIPSSA-N 2 2 397.563 3.732 20 0 GHADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)N(C)C)cc1OC ZINC000550678818 885849682 /nfs/dbraw/zinc/84/96/82/885849682.db2.gz UYOGEDXTXKWISV-FSSWDIPSSA-N 2 2 397.563 3.732 20 0 GHADLP O=[N+]([O-])c1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1Br ZINC000322691747 886078607 /nfs/dbraw/zinc/07/86/07/886078607.db2.gz AJCVSEUKYHVOEN-UHFFFAOYSA-N 2 2 382.302 3.665 20 0 GHADLP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117638912 886087104 /nfs/dbraw/zinc/08/71/04/886087104.db2.gz PGPFUNQYYYKYEE-UHFFFAOYSA-N 2 2 392.528 3.982 20 0 GHADLP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000862272330 886272130 /nfs/dbraw/zinc/27/21/30/886272130.db2.gz IFXXZHLAPTYTDM-CABCVRRESA-N 2 2 386.487 3.532 20 0 GHADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000118834294 886277422 /nfs/dbraw/zinc/27/74/22/886277422.db2.gz KOHARPIBIQXSKM-RTBURBONSA-N 2 2 389.609 3.609 20 0 GHADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000118834294 886277439 /nfs/dbraw/zinc/27/74/39/886277439.db2.gz KOHARPIBIQXSKM-RTBURBONSA-N 2 2 389.609 3.609 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000105158918 886409279 /nfs/dbraw/zinc/40/92/79/886409279.db2.gz ZIYOGMQBYVDONR-FQEVSTJZSA-N 2 2 392.563 3.580 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000105158918 886409286 /nfs/dbraw/zinc/40/92/86/886409286.db2.gz ZIYOGMQBYVDONR-FQEVSTJZSA-N 2 2 392.563 3.580 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC000537615641 886613545 /nfs/dbraw/zinc/61/35/45/886613545.db2.gz MDAKTZJKYYKFDS-KXBFYZLASA-N 2 2 391.357 3.797 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC000537615641 886613552 /nfs/dbraw/zinc/61/35/52/886613552.db2.gz MDAKTZJKYYKFDS-KXBFYZLASA-N 2 2 391.357 3.797 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC000537615641 886613558 /nfs/dbraw/zinc/61/35/58/886613558.db2.gz MDAKTZJKYYKFDS-KXBFYZLASA-N 2 2 391.357 3.797 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC000537615641 886613562 /nfs/dbraw/zinc/61/35/62/886613562.db2.gz MDAKTZJKYYKFDS-KXBFYZLASA-N 2 2 391.357 3.797 20 0 GHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(C2CC2)s1 ZINC000537620154 886755370 /nfs/dbraw/zinc/75/53/70/886755370.db2.gz ORIOQYBZWMDIDI-UHFFFAOYSA-N 3 2 376.614 3.649 20 0 GHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000057604907 886767373 /nfs/dbraw/zinc/76/73/73/886767373.db2.gz OPGRGZYBLYFCNL-OAQYLSRUSA-N 2 2 396.535 3.686 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)c1ccco1 ZINC000057631226 886779512 /nfs/dbraw/zinc/77/95/12/886779512.db2.gz JJEDJKGCGNPWAX-GOSISDBHSA-N 2 2 388.512 3.525 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000125194943 886836610 /nfs/dbraw/zinc/83/66/10/886836610.db2.gz KXRSMXJYLYDDIS-MSOLQXFVSA-N 2 2 386.561 3.966 20 0 GHADLP C[NH+]1CCC([N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)CCO)CC1 ZINC000459274896 886940630 /nfs/dbraw/zinc/94/06/30/886940630.db2.gz CCYHBOJPTBNDAA-YVMONPNESA-N 2 2 380.532 3.667 20 0 GHADLP C[NH+]1CCC([N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)CCO)CC1 ZINC000459274896 886940639 /nfs/dbraw/zinc/94/06/39/886940639.db2.gz CCYHBOJPTBNDAA-YVMONPNESA-N 2 2 380.532 3.667 20 0 GHADLP CC(C)C[N@@H+](Cc1ccc(F)c(Cl)c1)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000863280231 887001456 /nfs/dbraw/zinc/00/14/56/887001456.db2.gz CXTGRSIXSCIWDV-MRXNPFEDSA-N 2 2 392.906 3.644 20 0 GHADLP CC(C)C[N@H+](Cc1ccc(F)c(Cl)c1)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000863280231 887001466 /nfs/dbraw/zinc/00/14/66/887001466.db2.gz CXTGRSIXSCIWDV-MRXNPFEDSA-N 2 2 392.906 3.644 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000131310713 887533020 /nfs/dbraw/zinc/53/30/20/887533020.db2.gz SMVJWDKQMSUOQK-AWEZNQCLSA-N 2 2 394.491 3.628 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000131310713 887533029 /nfs/dbraw/zinc/53/30/29/887533029.db2.gz SMVJWDKQMSUOQK-AWEZNQCLSA-N 2 2 394.491 3.628 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cc2ncc(C3OCCO3)s2)CC1)CC1CC1 ZINC000809602528 887613282 /nfs/dbraw/zinc/61/32/82/887613282.db2.gz QAYXHHDEORZPEW-UHFFFAOYSA-N 2 2 379.570 3.523 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cc2ncc(C3OCCO3)s2)CC1)CC1CC1 ZINC000809602528 887613289 /nfs/dbraw/zinc/61/32/89/887613289.db2.gz QAYXHHDEORZPEW-UHFFFAOYSA-N 2 2 379.570 3.523 20 0 GHADLP Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(C)c[nH+]1 ZINC000536618093 887669059 /nfs/dbraw/zinc/66/90/59/887669059.db2.gz DWWWYIKPAOEWEH-BEFAXECRSA-N 2 2 390.890 3.727 20 0 GHADLP Cc1cc(NC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(C)c[nH+]1 ZINC000536618093 887669068 /nfs/dbraw/zinc/66/90/68/887669068.db2.gz DWWWYIKPAOEWEH-BEFAXECRSA-N 2 2 390.890 3.727 20 0 GHADLP CC[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000051758968 887783110 /nfs/dbraw/zinc/78/31/10/887783110.db2.gz LXJLBWAUYSVQHP-FQEVSTJZSA-N 2 2 392.975 3.649 20 0 GHADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cc2ccccc2nc1N1CCOCC1 ZINC000809750195 887786351 /nfs/dbraw/zinc/78/63/51/887786351.db2.gz VXXUSEYXKOIGKM-UHFFFAOYSA-N 2 2 384.568 3.625 20 0 GHADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc2ccccc2nc1N1CCOCC1 ZINC000809750195 887786360 /nfs/dbraw/zinc/78/63/60/887786360.db2.gz VXXUSEYXKOIGKM-UHFFFAOYSA-N 2 2 384.568 3.625 20 0 GHADLP O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC001184402924 913186662 /nfs/dbraw/zinc/18/66/62/913186662.db2.gz PMTNLKRMBOOYLS-GOSISDBHSA-N 2 2 386.927 3.612 20 0 GHADLP O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC001184402924 913186670 /nfs/dbraw/zinc/18/66/70/913186670.db2.gz PMTNLKRMBOOYLS-GOSISDBHSA-N 2 2 386.927 3.612 20 0 GHADLP C[C@@H]([NH2+]Cc1cnc(Cl)c(F)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000865451140 888361554 /nfs/dbraw/zinc/36/15/54/888361554.db2.gz ZGKWWCCOTWWODM-CYBMUJFWSA-N 2 2 380.870 3.616 20 0 GHADLP O=C1N(CCn2cc[nH+]c2)CC[C@@]12CCC[N@@H+](Cc1sccc1Cl)CC2 ZINC001275314950 913263327 /nfs/dbraw/zinc/26/33/27/913263327.db2.gz ONSSFROQGINULO-IBGZPJMESA-N 2 2 392.956 3.503 20 0 GHADLP O=C1N(CCn2cc[nH+]c2)CC[C@@]12CCC[N@H+](Cc1sccc1Cl)CC2 ZINC001275314950 913263336 /nfs/dbraw/zinc/26/33/36/913263336.db2.gz ONSSFROQGINULO-IBGZPJMESA-N 2 2 392.956 3.503 20 0 GHADLP Fc1ccc([C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c2nnc[nH]2)cc1 ZINC000866468462 888896255 /nfs/dbraw/zinc/89/62/55/888896255.db2.gz ANGWDDCPNJBVPY-QFIPXVFZSA-N 2 2 393.510 3.925 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc(C)c1F ZINC000123641483 889354633 /nfs/dbraw/zinc/35/46/33/889354633.db2.gz QIUJOESCCHVHBD-LEWJYISDSA-N 2 2 389.559 3.852 20 0 GHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc(C)c1F ZINC000123641483 889354644 /nfs/dbraw/zinc/35/46/44/889354644.db2.gz QIUJOESCCHVHBD-LEWJYISDSA-N 2 2 389.559 3.852 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2OC[C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000287479690 913363580 /nfs/dbraw/zinc/36/35/80/913363580.db2.gz XAELBGYGHQHFSQ-UNWVZKJWSA-N 2 2 395.547 3.640 20 0 GHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2OC[C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000287479690 913363597 /nfs/dbraw/zinc/36/35/97/913363597.db2.gz XAELBGYGHQHFSQ-UNWVZKJWSA-N 2 2 395.547 3.640 20 0 GHADLP CC[N@H+](CC(=O)Nc1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533074161 889691773 /nfs/dbraw/zinc/69/17/73/889691773.db2.gz VUDIQYCUUNSROG-UHFFFAOYSA-N 2 2 395.551 3.838 20 0 GHADLP CN(C(=O)c1cc(F)c(F)cc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124840221 889786177 /nfs/dbraw/zinc/78/61/77/889786177.db2.gz UDXOIXUPEQTMCH-PMACEKPBSA-N 2 2 397.485 3.513 20 0 GHADLP CN(C(=O)c1cc(F)c(F)cc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124840221 889786186 /nfs/dbraw/zinc/78/61/86/889786186.db2.gz UDXOIXUPEQTMCH-PMACEKPBSA-N 2 2 397.485 3.513 20 0 GHADLP CCOc1c(Br)cc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1OC ZINC000125207420 889910180 /nfs/dbraw/zinc/91/01/80/889910180.db2.gz RTKKPYHKKFKTQU-UHFFFAOYSA-N 2 2 385.346 3.773 20 0 GHADLP CCOc1c(Br)cc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1OC ZINC000125207420 889910186 /nfs/dbraw/zinc/91/01/86/889910186.db2.gz RTKKPYHKKFKTQU-UHFFFAOYSA-N 2 2 385.346 3.773 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CCC(C[NH+](C)C)CC3)n2)C1 ZINC000533543311 890807292 /nfs/dbraw/zinc/80/72/92/890807292.db2.gz SWHNLEOFBLENTN-GTPINHCMSA-N 2 2 393.601 3.617 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CCC(C[NH+](C)C)CC3)n2)C1 ZINC000533543311 890807305 /nfs/dbraw/zinc/80/73/05/890807305.db2.gz SWHNLEOFBLENTN-GTPINHCMSA-N 2 2 393.601 3.617 20 0 GHADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000533563152 890852616 /nfs/dbraw/zinc/85/26/16/890852616.db2.gz HSYJHTFVNRSLBM-HXUWFJFHSA-N 2 2 397.346 3.975 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(N2CCCNC2=O)cc1 ZINC000812801586 890995339 /nfs/dbraw/zinc/99/53/39/890995339.db2.gz WLGVBBXNHHOIJK-KRWDZBQOSA-N 2 2 375.476 3.643 20 0 GHADLP Cc1cc(C)c(NC(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(C)[nH+]1 ZINC000455485219 891036246 /nfs/dbraw/zinc/03/62/46/891036246.db2.gz QUAOSQQUUPBCDB-INIZCTEOSA-N 2 2 399.514 3.780 20 0 GHADLP CC[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000533664450 891071188 /nfs/dbraw/zinc/07/11/88/891071188.db2.gz IYUFIKAQHUVVIH-XMGTWHOFSA-N 2 2 392.632 3.934 20 0 GHADLP CC[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000533664450 891071201 /nfs/dbraw/zinc/07/12/01/891071201.db2.gz IYUFIKAQHUVVIH-XMGTWHOFSA-N 2 2 392.632 3.934 20 0 GHADLP Brc1cccc([C@H]([NH2+]CCCCn2cc[nH+]c2)[C@@H]2CCOC2)c1 ZINC000872022961 891120960 /nfs/dbraw/zinc/12/09/60/891120960.db2.gz AJXFWWNLZNJZDS-AEFFLSMTSA-N 2 2 378.314 3.793 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@H](C(C)(C)C)C3)CC2)cc1 ZINC000872075580 891141452 /nfs/dbraw/zinc/14/14/52/891141452.db2.gz DVCBQGIBPMSIRB-VXKWHMMOSA-N 2 2 387.568 3.793 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c[nH+]1 ZINC000455552494 891195055 /nfs/dbraw/zinc/19/50/55/891195055.db2.gz BOPBYFAHQMYJHS-QHCPKHFHSA-N 2 2 378.520 3.506 20 0 GHADLP Cc1cc(C)c(CNC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c[nH+]1 ZINC000455552494 891195057 /nfs/dbraw/zinc/19/50/57/891195057.db2.gz BOPBYFAHQMYJHS-QHCPKHFHSA-N 2 2 378.520 3.506 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000247127454 891348364 /nfs/dbraw/zinc/34/83/64/891348364.db2.gz RNDHLVFYCTVINR-RHSMWYFYSA-N 2 2 394.382 3.948 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000247127454 891348378 /nfs/dbraw/zinc/34/83/78/891348378.db2.gz RNDHLVFYCTVINR-RHSMWYFYSA-N 2 2 394.382 3.948 20 0 GHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cnnn1-c1ccccc1 ZINC000813327713 891479053 /nfs/dbraw/zinc/47/90/53/891479053.db2.gz HBIOFDNPIKESKJ-ROUUACIJSA-N 2 2 376.508 3.539 20 0 GHADLP COc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000237389645 891627510 /nfs/dbraw/zinc/62/75/10/891627510.db2.gz MJIBOAMYVBHOHX-RTBURBONSA-N 2 2 398.547 3.960 20 0 GHADLP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccccc1OC ZINC000162042244 892044571 /nfs/dbraw/zinc/04/45/71/892044571.db2.gz ZMGCRFRDSNZPOV-OAQYLSRUSA-N 2 2 384.520 3.647 20 0 GHADLP CCn1ccnc1C[N@H+](Cc1ccc2nc(C)sc2c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261780276 892109487 /nfs/dbraw/zinc/10/94/87/892109487.db2.gz FIQWDZAMPZWLFZ-HXUWFJFHSA-N 2 2 395.576 3.965 20 0 GHADLP CCn1ccnc1C[N@@H+](Cc1ccc2nc(C)sc2c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261780276 892109499 /nfs/dbraw/zinc/10/94/99/892109499.db2.gz FIQWDZAMPZWLFZ-HXUWFJFHSA-N 2 2 395.576 3.965 20 0 GHADLP O=C(CCC1CC[NH2+]CC1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000263067983 892421088 /nfs/dbraw/zinc/42/10/88/892421088.db2.gz WDWBCKMNMLCLNL-SFHVURJKSA-N 2 2 381.923 3.512 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000428588681 892626837 /nfs/dbraw/zinc/62/68/37/892626837.db2.gz URGKAIIAIYRYKD-NRFANRHFSA-N 2 2 397.567 3.532 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000428588681 892626844 /nfs/dbraw/zinc/62/68/44/892626844.db2.gz URGKAIIAIYRYKD-NRFANRHFSA-N 2 2 397.567 3.532 20 0 GHADLP C[C@@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000262677925 892855745 /nfs/dbraw/zinc/85/57/45/892855745.db2.gz UVHCFYFAUHHGMB-OZQHCQBDSA-N 2 2 381.520 3.570 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000129084974 893008694 /nfs/dbraw/zinc/00/86/94/893008694.db2.gz MHNGJEQYSGAJLE-AJSBUHFISA-N 2 2 396.554 3.998 20 0 GHADLP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000129084974 893008711 /nfs/dbraw/zinc/00/87/11/893008711.db2.gz MHNGJEQYSGAJLE-AJSBUHFISA-N 2 2 396.554 3.998 20 0 GHADLP c1sc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)nc1-c1cc2ccccc2o1 ZINC000562959803 893219090 /nfs/dbraw/zinc/21/90/90/893219090.db2.gz ZQFWNYHULCUTML-YESZJQIVSA-N 2 2 383.517 3.803 20 0 GHADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC000877019936 893438025 /nfs/dbraw/zinc/43/80/25/893438025.db2.gz IFHHUXYASPLHSI-INIZCTEOSA-N 2 2 394.560 3.644 20 0 GHADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC000877019936 893438033 /nfs/dbraw/zinc/43/80/33/893438033.db2.gz IFHHUXYASPLHSI-INIZCTEOSA-N 2 2 394.560 3.644 20 0 GHADLP COc1cnc([C@@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCCCC3)c2)[nH]c1=O ZINC000934277904 893518673 /nfs/dbraw/zinc/51/86/73/893518673.db2.gz DDGUBYWZCUHVOW-IBGZPJMESA-N 2 2 382.508 3.514 20 0 GHADLP COc1cnc([C@@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCCCC3)c2)[nH]c1=O ZINC000934277904 893518692 /nfs/dbraw/zinc/51/86/92/893518692.db2.gz DDGUBYWZCUHVOW-IBGZPJMESA-N 2 2 382.508 3.514 20 0 GHADLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc2c1OCO2 ZINC000536676722 893521165 /nfs/dbraw/zinc/52/11/65/893521165.db2.gz NAQOVUSXCDOFSU-YLJYHZDGSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc2c1OCO2 ZINC000536676722 893521184 /nfs/dbraw/zinc/52/11/84/893521184.db2.gz NAQOVUSXCDOFSU-YLJYHZDGSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc2c1OCO2 ZINC000536676722 893521200 /nfs/dbraw/zinc/52/12/00/893521200.db2.gz NAQOVUSXCDOFSU-YLJYHZDGSA-N 2 2 382.504 3.909 20 0 GHADLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc2c1OCO2 ZINC000536676722 893521217 /nfs/dbraw/zinc/52/12/17/893521217.db2.gz NAQOVUSXCDOFSU-YLJYHZDGSA-N 2 2 382.504 3.909 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000444794243 893537184 /nfs/dbraw/zinc/53/71/84/893537184.db2.gz RIDDKKMWAXAXTM-FCHUYYIVSA-N 2 2 388.515 3.657 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000444794243 893537206 /nfs/dbraw/zinc/53/72/06/893537206.db2.gz RIDDKKMWAXAXTM-FCHUYYIVSA-N 2 2 388.515 3.657 20 0 GHADLP [NH3+][C@H](C[C@H]1CCCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1)C1CCCC1 ZINC000877443070 893603418 /nfs/dbraw/zinc/60/34/18/893603418.db2.gz BVJNMAGAXOOFFS-DJIMGWMZSA-N 2 2 386.462 3.523 20 0 GHADLP CC(C)(C)OC(=O)NC(C)(C)c1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)on1 ZINC000877473311 893631302 /nfs/dbraw/zinc/63/13/02/893631302.db2.gz GHYUEAYNSLDJNV-UHFFFAOYSA-N 2 2 394.560 3.646 20 0 GHADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000536851900 893936528 /nfs/dbraw/zinc/93/65/28/893936528.db2.gz NJKKCUVASJLZQU-OXQOHEQNSA-N 2 2 399.000 3.746 20 0 GHADLP C[C@@H](c1ccccc1Cl)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000129887262 894032250 /nfs/dbraw/zinc/03/22/50/894032250.db2.gz VESMNTVHVAXTON-INIZCTEOSA-N 2 2 385.943 3.607 20 0 GHADLP C[C@@H](c1ccccc1Cl)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000129887262 894032269 /nfs/dbraw/zinc/03/22/69/894032269.db2.gz VESMNTVHVAXTON-INIZCTEOSA-N 2 2 385.943 3.607 20 0 GHADLP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000878154898 894056646 /nfs/dbraw/zinc/05/66/46/894056646.db2.gz HAMABVFIATYEGR-QGZVFWFLSA-N 2 2 393.959 3.552 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1C1CC1 ZINC000564318354 894857487 /nfs/dbraw/zinc/85/74/87/894857487.db2.gz VVSRFRUNGYVRNY-XLIONFOSSA-N 2 2 393.531 3.888 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1C1CC1 ZINC000564318354 894857499 /nfs/dbraw/zinc/85/74/99/894857499.db2.gz VVSRFRUNGYVRNY-XLIONFOSSA-N 2 2 393.531 3.888 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1 ZINC000564720584 895209674 /nfs/dbraw/zinc/20/96/74/895209674.db2.gz ZFEUSWDPMJSJGN-TZIWHRDSSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1 ZINC000564720584 895209682 /nfs/dbraw/zinc/20/96/82/895209682.db2.gz ZFEUSWDPMJSJGN-TZIWHRDSSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1 ZINC000564720584 895209696 /nfs/dbraw/zinc/20/96/96/895209696.db2.gz ZFEUSWDPMJSJGN-TZIWHRDSSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1 ZINC000564720584 895209705 /nfs/dbraw/zinc/20/97/05/895209705.db2.gz ZFEUSWDPMJSJGN-TZIWHRDSSA-N 2 2 382.479 3.566 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000564924705 895311096 /nfs/dbraw/zinc/31/10/96/895311096.db2.gz PNUCNNFGPGRYJK-QFIPXVFZSA-N 2 2 394.563 3.873 20 0 GHADLP C[C@@H](c1cccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000565180157 895445771 /nfs/dbraw/zinc/44/57/71/895445771.db2.gz IRLCXAMVPGYSMH-SIKLNZKXSA-N 2 2 393.531 3.540 20 0 GHADLP C[C@@H](c1cccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000565180157 895445778 /nfs/dbraw/zinc/44/57/78/895445778.db2.gz IRLCXAMVPGYSMH-SIKLNZKXSA-N 2 2 393.531 3.540 20 0 GHADLP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000565862264 895939378 /nfs/dbraw/zinc/93/93/78/895939378.db2.gz XZIUUHJTLJLHMW-DOTOQJQBSA-N 2 2 399.398 3.763 20 0 GHADLP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000565862264 895939387 /nfs/dbraw/zinc/93/93/87/895939387.db2.gz XZIUUHJTLJLHMW-DOTOQJQBSA-N 2 2 399.398 3.763 20 0 GHADLP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000565862264 895939393 /nfs/dbraw/zinc/93/93/93/895939393.db2.gz XZIUUHJTLJLHMW-DOTOQJQBSA-N 2 2 399.398 3.763 20 0 GHADLP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000565862264 895939398 /nfs/dbraw/zinc/93/93/98/895939398.db2.gz XZIUUHJTLJLHMW-DOTOQJQBSA-N 2 2 399.398 3.763 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000566246181 896197793 /nfs/dbraw/zinc/19/77/93/896197793.db2.gz LYPFVNCFTOVNMX-KPLVRAHFSA-N 2 2 381.520 3.824 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000566246181 896197798 /nfs/dbraw/zinc/19/77/98/896197798.db2.gz LYPFVNCFTOVNMX-KPLVRAHFSA-N 2 2 381.520 3.824 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1Cl ZINC000566417076 896298138 /nfs/dbraw/zinc/29/81/38/896298138.db2.gz RQXVVRNODFFIMC-IHRRRGAJSA-N 2 2 395.334 3.782 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1Cl ZINC000566417076 896298145 /nfs/dbraw/zinc/29/81/45/896298145.db2.gz RQXVVRNODFFIMC-IHRRRGAJSA-N 2 2 395.334 3.782 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cccc(Cn4cccn4)c3)CC2)cc1 ZINC000129454462 896670096 /nfs/dbraw/zinc/67/00/96/896670096.db2.gz ZEHRBDHAZFBQGQ-UHFFFAOYSA-N 2 2 389.547 3.756 20 0 GHADLP CSc1ccc(CN(C)C(=O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000567402400 897125095 /nfs/dbraw/zinc/12/50/95/897125095.db2.gz LERKNKMYWPYKCC-UHFFFAOYSA-N 2 2 399.560 3.614 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CCc4cccc(Cl)c4C3)CC2)C1 ZINC001170945373 897262800 /nfs/dbraw/zinc/26/28/00/897262800.db2.gz WOCRKXJBCFOPIG-IEBWSBKVSA-N 2 2 390.955 3.547 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CCc4cccc(Cl)c4C3)CC2)C1 ZINC001170945373 897262820 /nfs/dbraw/zinc/26/28/20/897262820.db2.gz WOCRKXJBCFOPIG-IEBWSBKVSA-N 2 2 390.955 3.547 20 0 GHADLP CC[C@H]1CCCCN1C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000567994839 897526593 /nfs/dbraw/zinc/52/65/93/897526593.db2.gz WPZDZFNMZZLEMI-MOPGFXCFSA-N 2 2 377.598 3.601 20 0 GHADLP CC[C@H]1CCCCN1C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000567994839 897526605 /nfs/dbraw/zinc/52/66/05/897526605.db2.gz WPZDZFNMZZLEMI-MOPGFXCFSA-N 2 2 377.598 3.601 20 0 GHADLP CC[C@H]1CCCCN1C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000567994839 897526623 /nfs/dbraw/zinc/52/66/23/897526623.db2.gz WPZDZFNMZZLEMI-MOPGFXCFSA-N 2 2 377.598 3.601 20 0 GHADLP CC[C@H]1CCCCN1C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000567994839 897526633 /nfs/dbraw/zinc/52/66/33/897526633.db2.gz WPZDZFNMZZLEMI-MOPGFXCFSA-N 2 2 377.598 3.601 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000567994841 897527375 /nfs/dbraw/zinc/52/73/75/897527375.db2.gz WPZDZFNMZZLEMI-RBUKOAKNSA-N 2 2 377.598 3.601 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000567994841 897527383 /nfs/dbraw/zinc/52/73/83/897527383.db2.gz WPZDZFNMZZLEMI-RBUKOAKNSA-N 2 2 377.598 3.601 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000567994841 897527391 /nfs/dbraw/zinc/52/73/91/897527391.db2.gz WPZDZFNMZZLEMI-RBUKOAKNSA-N 2 2 377.598 3.601 20 0 GHADLP CC[C@@H]1CCCCN1C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000567994841 897527399 /nfs/dbraw/zinc/52/73/99/897527399.db2.gz WPZDZFNMZZLEMI-RBUKOAKNSA-N 2 2 377.598 3.601 20 0 GHADLP CCOc1c(OC)cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1OC ZINC000883398369 897560132 /nfs/dbraw/zinc/56/01/32/897560132.db2.gz LMNWITRBEIQUGQ-IBGZPJMESA-N 2 2 381.476 3.830 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000509514069 898244472 /nfs/dbraw/zinc/24/44/72/898244472.db2.gz BKOSEDGUUWARAD-LJQANCHMSA-N 2 2 397.592 3.742 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000509514069 898244485 /nfs/dbraw/zinc/24/44/85/898244485.db2.gz BKOSEDGUUWARAD-LJQANCHMSA-N 2 2 397.592 3.742 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000509514069 898244500 /nfs/dbraw/zinc/24/45/00/898244500.db2.gz BKOSEDGUUWARAD-LJQANCHMSA-N 2 2 397.592 3.742 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000509514069 898244513 /nfs/dbraw/zinc/24/45/13/898244513.db2.gz BKOSEDGUUWARAD-LJQANCHMSA-N 2 2 397.592 3.742 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc(OC)c1OC ZINC000282883844 898631092 /nfs/dbraw/zinc/63/10/92/898631092.db2.gz YTKSPSAVGWBQOT-KRWDZBQOSA-N 2 2 385.508 3.625 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc(OC)c1OC ZINC000282883844 898631095 /nfs/dbraw/zinc/63/10/95/898631095.db2.gz YTKSPSAVGWBQOT-KRWDZBQOSA-N 2 2 385.508 3.625 20 0 GHADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000800221513 898764234 /nfs/dbraw/zinc/76/42/34/898764234.db2.gz NTYOOECLWVYNNH-GJZGRUSLSA-N 2 2 382.574 3.948 20 0 GHADLP CC(C)[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1nnc2ccccn21 ZINC000155595910 898925890 /nfs/dbraw/zinc/92/58/90/898925890.db2.gz ZPZRSXXHGIAYQY-JOCHJYFZSA-N 2 2 392.551 3.751 20 0 GHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000569769626 898940073 /nfs/dbraw/zinc/94/00/73/898940073.db2.gz NTGZWGZNETXWKA-QFBILLFUSA-N 2 2 378.442 3.807 20 0 GHADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000569769626 898940079 /nfs/dbraw/zinc/94/00/79/898940079.db2.gz NTGZWGZNETXWKA-QFBILLFUSA-N 2 2 378.442 3.807 20 0 GHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000569769626 898940090 /nfs/dbraw/zinc/94/00/90/898940090.db2.gz NTGZWGZNETXWKA-QFBILLFUSA-N 2 2 378.442 3.807 20 0 GHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000569769626 898940093 /nfs/dbraw/zinc/94/00/93/898940093.db2.gz NTGZWGZNETXWKA-QFBILLFUSA-N 2 2 378.442 3.807 20 0 GHADLP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000569847170 898982768 /nfs/dbraw/zinc/98/27/68/898982768.db2.gz FHXKJABQDAWNBO-SFHVURJKSA-N 2 2 393.531 3.566 20 0 GHADLP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1C ZINC000570155900 899165094 /nfs/dbraw/zinc/16/50/94/899165094.db2.gz TXOZBGQCFHZHTP-OFNKIYASSA-N 2 2 397.563 3.562 20 0 GHADLP c1nc(CCc2ccccc2)sc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000823850360 899278522 /nfs/dbraw/zinc/27/85/22/899278522.db2.gz ADLNFPLQOAPNEH-FQEVSTJZSA-N 2 2 385.577 3.661 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000824209711 899456198 /nfs/dbraw/zinc/45/61/98/899456198.db2.gz WARSDNWBUNDAPT-WJFTUGDTSA-N 2 2 388.556 3.746 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccc2c(c1)CC[NH2+]CC2 ZINC000646272191 914371723 /nfs/dbraw/zinc/37/17/23/914371723.db2.gz NBIBXLZBDDFTLR-UHFFFAOYSA-N 2 2 384.483 3.542 20 0 GHADLP C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333011554 899892405 /nfs/dbraw/zinc/89/24/05/899892405.db2.gz FXUFIRJSIRMREK-MRXNPFEDSA-N 2 2 383.544 3.652 20 0 GHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333123658 899981323 /nfs/dbraw/zinc/98/13/23/899981323.db2.gz IQOIGNGNTIZHQR-UHFFFAOYSA-N 2 2 391.519 3.599 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000571969530 900023897 /nfs/dbraw/zinc/02/38/97/900023897.db2.gz WNQAWBTVYXOSQM-WIYYLYMNSA-N 2 2 388.515 3.504 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000571969530 900023908 /nfs/dbraw/zinc/02/39/08/900023908.db2.gz WNQAWBTVYXOSQM-WIYYLYMNSA-N 2 2 388.515 3.504 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000333241306 900061063 /nfs/dbraw/zinc/06/10/63/900061063.db2.gz IMRVAVOMLGJBMO-OAQYLSRUSA-N 2 2 399.583 3.668 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000333241306 900061070 /nfs/dbraw/zinc/06/10/70/900061070.db2.gz IMRVAVOMLGJBMO-OAQYLSRUSA-N 2 2 399.583 3.668 20 0 GHADLP CN(CCC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1)C(=O)OC(C)(C)C ZINC000825451194 900171498 /nfs/dbraw/zinc/17/14/98/900171498.db2.gz REIBWWNEHNLYFT-UHFFFAOYSA-N 2 2 399.539 3.736 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000574601643 900942758 /nfs/dbraw/zinc/94/27/58/900942758.db2.gz GBIYMWRWZBPJFW-OFNKIYASSA-N 3 2 396.579 3.555 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000574601643 900942762 /nfs/dbraw/zinc/94/27/62/900942762.db2.gz GBIYMWRWZBPJFW-OFNKIYASSA-N 3 2 396.579 3.555 20 0 GHADLP CCOC(=O)C1CCN(c2ccccc2C[NH+]2CCC([NH+]3CCCC3)CC2)CC1 ZINC001144091159 901055679 /nfs/dbraw/zinc/05/56/79/901055679.db2.gz YQEJUMXWVXGLRR-UHFFFAOYSA-N 2 2 399.579 3.526 20 0 GHADLP Clc1ccccc1[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)N1CCOCC1 ZINC000046836354 901109072 /nfs/dbraw/zinc/10/90/72/901109072.db2.gz HLRXLSJLXZLRKP-JOCHJYFZSA-N 2 2 396.922 3.689 20 0 GHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000093693567 901561655 /nfs/dbraw/zinc/56/16/55/901561655.db2.gz ZAKBVGHFWWDJHX-OAQYLSRUSA-N 2 2 383.536 3.833 20 0 GHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000093693567 901561663 /nfs/dbraw/zinc/56/16/63/901561663.db2.gz ZAKBVGHFWWDJHX-OAQYLSRUSA-N 2 2 383.536 3.833 20 0 GHADLP COC(=O)c1ccc([C@H](C)[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)o1 ZINC000576550777 902090457 /nfs/dbraw/zinc/09/04/57/902090457.db2.gz BGKKIFHQRZCKII-HOTGVXAUSA-N 2 2 376.522 3.951 20 0 GHADLP COC(=O)c1ccc([C@H](C)[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)o1 ZINC000576550777 902090462 /nfs/dbraw/zinc/09/04/62/902090462.db2.gz BGKKIFHQRZCKII-HOTGVXAUSA-N 2 2 376.522 3.951 20 0 GHADLP COC(=O)c1ccc([C@H](C)[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)o1 ZINC000576550777 902090473 /nfs/dbraw/zinc/09/04/73/902090473.db2.gz BGKKIFHQRZCKII-HOTGVXAUSA-N 2 2 376.522 3.951 20 0 GHADLP COC(=O)c1ccc([C@H](C)[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)o1 ZINC000576550777 902090485 /nfs/dbraw/zinc/09/04/85/902090485.db2.gz BGKKIFHQRZCKII-HOTGVXAUSA-N 2 2 376.522 3.951 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(Cl)cc(OC)c1)C2 ZINC001144485256 902251940 /nfs/dbraw/zinc/25/19/40/902251940.db2.gz ZEYZRFUROBZKAK-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(Cl)cc(OC)c1)C2 ZINC001144485256 902251948 /nfs/dbraw/zinc/25/19/48/902251948.db2.gz ZEYZRFUROBZKAK-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(Cl)cc(OC)c1)C2 ZINC001144485256 902251957 /nfs/dbraw/zinc/25/19/57/902251957.db2.gz ZEYZRFUROBZKAK-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(Cl)cc(OC)c1)C2 ZINC001144485256 902251967 /nfs/dbraw/zinc/25/19/67/902251967.db2.gz ZEYZRFUROBZKAK-RXVVDRJESA-N 2 2 378.944 3.529 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000778998084 902657493 /nfs/dbraw/zinc/65/74/93/902657493.db2.gz HAJJZXAREVDJAN-WOJBJXKFSA-N 2 2 384.524 3.656 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000130125633 902899386 /nfs/dbraw/zinc/89/93/86/902899386.db2.gz XWTPQQALJDCGDO-RXVVDRJESA-N 2 2 399.539 3.719 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC[C@@H](Nc4ccccc4)C3)C2)cc1 ZINC000577595289 902933416 /nfs/dbraw/zinc/93/34/16/902933416.db2.gz ONNYHOYGXUZPFT-DNQXCXABSA-N 2 2 379.548 3.854 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC[C@@H](Nc4ccccc4)C3)C2)cc1 ZINC000577595289 902933428 /nfs/dbraw/zinc/93/34/28/902933428.db2.gz ONNYHOYGXUZPFT-DNQXCXABSA-N 2 2 379.548 3.854 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CCC[C@@H](Nc4ccccc4)C3)C2)cc1 ZINC000577595289 902933442 /nfs/dbraw/zinc/93/34/42/902933442.db2.gz ONNYHOYGXUZPFT-DNQXCXABSA-N 2 2 379.548 3.854 20 0 GHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CCC[C@@H](Nc4ccccc4)C3)C2)cc1 ZINC000577595289 902933453 /nfs/dbraw/zinc/93/34/53/902933453.db2.gz ONNYHOYGXUZPFT-DNQXCXABSA-N 2 2 379.548 3.854 20 0 GHADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000264285929 902996736 /nfs/dbraw/zinc/99/67/36/902996736.db2.gz JDQLLFQDRNEXBZ-NRFANRHFSA-N 2 2 380.536 3.660 20 0 GHADLP Cc1cn(C(C)(C)C(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c[nH+]1 ZINC000887610668 903126046 /nfs/dbraw/zinc/12/60/46/903126046.db2.gz ABKSCCPNMOINLM-UHFFFAOYSA-N 2 2 380.536 3.540 20 0 GHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000577782840 903184592 /nfs/dbraw/zinc/18/45/92/903184592.db2.gz OXTJMBYSSMXULG-KXBFYZLASA-N 2 2 380.458 3.722 20 0 GHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000577782840 903184596 /nfs/dbraw/zinc/18/45/96/903184596.db2.gz OXTJMBYSSMXULG-KXBFYZLASA-N 2 2 380.458 3.722 20 0 GHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000577782840 903184597 /nfs/dbraw/zinc/18/45/97/903184597.db2.gz OXTJMBYSSMXULG-KXBFYZLASA-N 2 2 380.458 3.722 20 0 GHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000577782840 903184599 /nfs/dbraw/zinc/18/45/99/903184599.db2.gz OXTJMBYSSMXULG-KXBFYZLASA-N 2 2 380.458 3.722 20 0 GHADLP C[NH+](C)CCCOc1cccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000264662751 903293183 /nfs/dbraw/zinc/29/31/83/903293183.db2.gz MEYMHSPISADPBC-UHFFFAOYSA-N 2 2 378.476 3.514 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132741642 903301916 /nfs/dbraw/zinc/30/19/16/903301916.db2.gz BHJFDTAPISOQHX-LJQANCHMSA-N 3 2 390.531 3.680 20 0 GHADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000601133724 903374660 /nfs/dbraw/zinc/37/46/60/903374660.db2.gz JLDILELSMDCFCU-NRFANRHFSA-N 2 2 381.524 3.781 20 0 GHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000578212993 903619526 /nfs/dbraw/zinc/61/95/26/903619526.db2.gz RTRWZWUKTXUXTL-UFYCRDLUSA-N 2 2 377.960 3.686 20 0 GHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000578212993 903619531 /nfs/dbraw/zinc/61/95/31/903619531.db2.gz RTRWZWUKTXUXTL-UFYCRDLUSA-N 2 2 377.960 3.686 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](Cc1cccnc1)C1CCCC1 ZINC001146986788 903654057 /nfs/dbraw/zinc/65/40/57/903654057.db2.gz IILZCKPKWCQOTR-IBGZPJMESA-N 2 2 375.476 3.958 20 0 GHADLP O=C(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccc(Br)cc1F ZINC000265453030 903899523 /nfs/dbraw/zinc/89/95/23/903899523.db2.gz CSBKPLWSAXMDKS-UHFFFAOYSA-N 2 2 395.276 3.520 20 0 GHADLP CC(C)C[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)n1cc[nH+]c1 ZINC001148643354 904134860 /nfs/dbraw/zinc/13/48/60/904134860.db2.gz OBCNVCNPUHKQLV-LADGPHEKSA-N 2 2 394.563 3.985 20 0 GHADLP CC(C)C[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)n1cc[nH+]c1 ZINC001148643354 904134869 /nfs/dbraw/zinc/13/48/69/904134869.db2.gz OBCNVCNPUHKQLV-LADGPHEKSA-N 2 2 394.563 3.985 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)cs1 ZINC001171342536 904278232 /nfs/dbraw/zinc/27/82/32/904278232.db2.gz UDTDWLDGJMIOQU-OAHLLOKOSA-N 2 2 397.560 3.863 20 0 GHADLP Cc1cc(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc(C)[nH+]1 ZINC000579097518 904346990 /nfs/dbraw/zinc/34/69/90/904346990.db2.gz GZWUCCUOBIFOPV-KRWDZBQOSA-N 2 2 380.536 3.930 20 0 GHADLP Cc1cc(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc(C)[nH+]1 ZINC000579097518 904347005 /nfs/dbraw/zinc/34/70/05/904347005.db2.gz GZWUCCUOBIFOPV-KRWDZBQOSA-N 2 2 380.536 3.930 20 0 GHADLP Fc1cc(F)c2c(c1)C[C@H](N(c1cccc[nH+]1)[C@@H]1COC3(C1)CC[NH2+]CC3)CC2 ZINC001171368294 904362036 /nfs/dbraw/zinc/36/20/36/904362036.db2.gz DDQYCHFYWIGUKP-MOPGFXCFSA-N 2 2 399.485 3.635 20 0 GHADLP CCCN(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000773107137 904437623 /nfs/dbraw/zinc/43/76/23/904437623.db2.gz LWPSYNVDQSRTIG-UYAOXDASSA-N 2 2 390.572 3.529 20 0 GHADLP CCCN(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000773107137 904437631 /nfs/dbraw/zinc/43/76/31/904437631.db2.gz LWPSYNVDQSRTIG-UYAOXDASSA-N 2 2 390.572 3.529 20 0 GHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccnc(Cl)c3Cl)c2)CCO1 ZINC000290809674 914828107 /nfs/dbraw/zinc/82/81/07/914828107.db2.gz GBLGGMYAFVITND-AWEZNQCLSA-N 2 2 380.319 3.899 20 0 GHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccnc(Cl)c3Cl)c2)CCO1 ZINC000290809674 914828123 /nfs/dbraw/zinc/82/81/23/914828123.db2.gz GBLGGMYAFVITND-AWEZNQCLSA-N 2 2 380.319 3.899 20 0 GHADLP [NH3+]C[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)cc2C1)c1ccc(Br)cc1 ZINC001171461075 904722570 /nfs/dbraw/zinc/72/25/70/904722570.db2.gz VSPFWNUTHRGISK-MAUKXSAKSA-N 2 2 381.264 3.874 20 0 GHADLP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)CC1(C)C ZINC001171638042 904925658 /nfs/dbraw/zinc/92/56/58/904925658.db2.gz PXMOXAKWBZJZML-XMMPIXPASA-N 2 2 398.595 3.548 20 0 GHADLP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)CC1(C)C ZINC001171638042 904925665 /nfs/dbraw/zinc/92/56/65/904925665.db2.gz PXMOXAKWBZJZML-XMMPIXPASA-N 2 2 398.595 3.548 20 0 GHADLP CCNc1nc(C[N@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)cs1 ZINC001171636839 904925951 /nfs/dbraw/zinc/92/59/51/904925951.db2.gz QKEYKBXPZLQEQQ-CALCHBBNSA-N 2 2 388.581 3.816 20 0 GHADLP CCNc1nc(C[N@@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)cs1 ZINC001171636839 904925964 /nfs/dbraw/zinc/92/59/64/904925964.db2.gz QKEYKBXPZLQEQQ-CALCHBBNSA-N 2 2 388.581 3.816 20 0 GHADLP CCNc1nc(C[NH+](C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cs1 ZINC001171636839 904925979 /nfs/dbraw/zinc/92/59/79/904925979.db2.gz QKEYKBXPZLQEQQ-CALCHBBNSA-N 2 2 388.581 3.816 20 0 GHADLP CCNc1nc(C[NH+](C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cs1 ZINC001171636839 904925986 /nfs/dbraw/zinc/92/59/86/904925986.db2.gz QKEYKBXPZLQEQQ-CALCHBBNSA-N 2 2 388.581 3.816 20 0 GHADLP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@H](c3cccc(S(C)(=O)=O)c3)C2)CC1(C)C ZINC001171643495 904933131 /nfs/dbraw/zinc/93/31/31/904933131.db2.gz VWYYNZLPDFYEPQ-SFHVURJKSA-N 2 2 392.609 3.921 20 0 GHADLP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H](c3cccc(S(C)(=O)=O)c3)C2)CC1(C)C ZINC001171643495 904933149 /nfs/dbraw/zinc/93/31/49/904933149.db2.gz VWYYNZLPDFYEPQ-SFHVURJKSA-N 2 2 392.609 3.921 20 0 GHADLP C[C@@H]1C[C@@H](N2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC001171767737 905007272 /nfs/dbraw/zinc/00/72/72/905007272.db2.gz PGQBTQMTMFJMPN-NRSPTQNISA-N 2 2 377.523 3.845 20 0 GHADLP C[C@@H]1C[C@@H](N2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC001171767737 905007294 /nfs/dbraw/zinc/00/72/94/905007294.db2.gz PGQBTQMTMFJMPN-NRSPTQNISA-N 2 2 377.523 3.845 20 0 GHADLP CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCS1 ZINC001172087081 905302487 /nfs/dbraw/zinc/30/24/87/905302487.db2.gz JHRKUEFQVUNVCY-WOZUAGRISA-N 2 2 388.577 3.553 20 0 GHADLP CCOC(=O)[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCS1 ZINC001172087081 905302498 /nfs/dbraw/zinc/30/24/98/905302498.db2.gz JHRKUEFQVUNVCY-WOZUAGRISA-N 2 2 388.577 3.553 20 0 GHADLP CCOC(=O)[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCS1 ZINC001172087081 905302513 /nfs/dbraw/zinc/30/25/13/905302513.db2.gz JHRKUEFQVUNVCY-WOZUAGRISA-N 2 2 388.577 3.553 20 0 GHADLP CCOC(=O)[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCS1 ZINC001172087081 905302529 /nfs/dbraw/zinc/30/25/29/905302529.db2.gz JHRKUEFQVUNVCY-WOZUAGRISA-N 2 2 388.577 3.553 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC001172088855 905304540 /nfs/dbraw/zinc/30/45/40/905304540.db2.gz NJCLHWDGQOALGH-IZBJGVDFSA-N 2 2 377.573 3.914 20 0 GHADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC001172088855 905304561 /nfs/dbraw/zinc/30/45/61/905304561.db2.gz NJCLHWDGQOALGH-IZBJGVDFSA-N 2 2 377.573 3.914 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(C(=O)OC(C)(C)C)cc3)CC1)C2 ZINC001172127682 905342441 /nfs/dbraw/zinc/34/24/41/905342441.db2.gz JIAXGWPQUOIBAR-ZBYYUNFXSA-N 2 2 399.579 3.779 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(C(=O)OC(C)(C)C)cc3)CC1)C2 ZINC001172127682 905342456 /nfs/dbraw/zinc/34/24/56/905342456.db2.gz JIAXGWPQUOIBAR-ZBYYUNFXSA-N 2 2 399.579 3.779 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[NH+](Cc3ccccc3)C[C@H]1C(F)(F)F)C2 ZINC001172134373 905347071 /nfs/dbraw/zinc/34/70/71/905347071.db2.gz WZRMWNLWMGPVFN-NMLBUPMWSA-N 2 2 381.486 3.750 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[NH+](Cc3ccccc3)C[C@H]1C(F)(F)F)C2 ZINC001172134373 905347085 /nfs/dbraw/zinc/34/70/85/905347085.db2.gz WZRMWNLWMGPVFN-NMLBUPMWSA-N 2 2 381.486 3.750 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[N@H+](Cc3ccccc3)C[C@H]1C(F)(F)F)C2 ZINC001172134373 905347101 /nfs/dbraw/zinc/34/71/01/905347101.db2.gz WZRMWNLWMGPVFN-NMLBUPMWSA-N 2 2 381.486 3.750 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[N@@H+](Cc3ccccc3)C[C@H]1C(F)(F)F)C2 ZINC001172134373 905347144 /nfs/dbraw/zinc/34/71/44/905347144.db2.gz WZRMWNLWMGPVFN-NMLBUPMWSA-N 2 2 381.486 3.750 20 0 GHADLP COCC[N@H+](C)[C@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC001172115745 905368948 /nfs/dbraw/zinc/36/89/48/905368948.db2.gz ZUYXDLQMLXUAAH-MXEMCNAFSA-N 2 2 379.976 3.564 20 0 GHADLP COCC[N@@H+](C)[C@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC001172115745 905368992 /nfs/dbraw/zinc/36/89/92/905368992.db2.gz ZUYXDLQMLXUAAH-MXEMCNAFSA-N 2 2 379.976 3.564 20 0 GHADLP COCC[NH+](C)[C@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC001172115745 905369006 /nfs/dbraw/zinc/36/90/06/905369006.db2.gz ZUYXDLQMLXUAAH-MXEMCNAFSA-N 2 2 379.976 3.564 20 0 GHADLP COCC[NH+](C)[C@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001172115745 905369036 /nfs/dbraw/zinc/36/90/36/905369036.db2.gz ZUYXDLQMLXUAAH-MXEMCNAFSA-N 2 2 379.976 3.564 20 0 GHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172122474 905384654 /nfs/dbraw/zinc/38/46/54/905384654.db2.gz BOBDULVGMSFQJB-ZGXWSNOMSA-N 2 2 377.573 3.866 20 0 GHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172122474 905384665 /nfs/dbraw/zinc/38/46/65/905384665.db2.gz BOBDULVGMSFQJB-ZGXWSNOMSA-N 2 2 377.573 3.866 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172122474 905384675 /nfs/dbraw/zinc/38/46/75/905384675.db2.gz BOBDULVGMSFQJB-ZGXWSNOMSA-N 2 2 377.573 3.866 20 0 GHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172122474 905384692 /nfs/dbraw/zinc/38/46/92/905384692.db2.gz BOBDULVGMSFQJB-ZGXWSNOMSA-N 2 2 377.573 3.866 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC001172208063 905405728 /nfs/dbraw/zinc/40/57/28/905405728.db2.gz MOBIDZQQLQDPMT-UHFFFAOYSA-N 2 2 375.900 3.570 20 0 GHADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172537338 905641959 /nfs/dbraw/zinc/64/19/59/905641959.db2.gz PJEONSBVFFADJY-FDFHNCONSA-N 2 2 380.536 3.536 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172537338 905641964 /nfs/dbraw/zinc/64/19/64/905641964.db2.gz PJEONSBVFFADJY-FDFHNCONSA-N 2 2 380.536 3.536 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@@H+]2CC[C@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172581063 905681266 /nfs/dbraw/zinc/68/12/66/905681266.db2.gz OVUMJLCOBWMOIE-JENIJYKNSA-N 2 2 377.504 3.608 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@H+]2CC[C@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172581063 905681269 /nfs/dbraw/zinc/68/12/69/905681269.db2.gz OVUMJLCOBWMOIE-JENIJYKNSA-N 2 2 377.504 3.608 20 0 GHADLP COC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)CC1 ZINC001172776286 905816111 /nfs/dbraw/zinc/81/61/11/905816111.db2.gz FEQZUQFNNAEZMP-PXNSSMCTSA-N 2 2 376.516 3.810 20 0 GHADLP COc1ccc([C@H]([NH3+])[C@@H]([NH2+][C@@H]2CCC[C@H](OC)C2)c2ccc(OC)cc2)cc1 ZINC001172924439 905994853 /nfs/dbraw/zinc/99/48/53/905994853.db2.gz UVTJBZFVGZPNMN-PVSGBFIBSA-N 2 2 384.520 3.992 20 0 GHADLP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CN1C(=O)OC(C)(C)C ZINC001173057080 906131801 /nfs/dbraw/zinc/13/18/01/906131801.db2.gz CLEZOZCISKOXTK-SJORKVTESA-N 2 2 391.531 3.864 20 0 GHADLP C[C@H]1CC[C@H]([NH+]2CCC([NH+]3CCC(F)CC3)CC2)CN1C(=O)OC(C)(C)C ZINC001173066009 906144221 /nfs/dbraw/zinc/14/42/21/906144221.db2.gz OGEZACOBIUJEGJ-LPHOPBHVSA-N 2 2 383.552 3.673 20 0 GHADLP COc1cccc2c1C[C@@H]([N@@H+]1CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)CO2 ZINC001173167266 906290585 /nfs/dbraw/zinc/29/05/85/906290585.db2.gz FGZLXYKWFYVPGC-BWKNWUBXSA-N 2 2 392.543 3.987 20 0 GHADLP COc1cccc2c1C[C@@H]([N@H+]1CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)CO2 ZINC001173167266 906290596 /nfs/dbraw/zinc/29/05/96/906290596.db2.gz FGZLXYKWFYVPGC-BWKNWUBXSA-N 2 2 392.543 3.987 20 0 GHADLP COc1cccc2c1C[C@@H]([NH+]1CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C1)CO2 ZINC001173167266 906290615 /nfs/dbraw/zinc/29/06/15/906290615.db2.gz FGZLXYKWFYVPGC-BWKNWUBXSA-N 2 2 392.543 3.987 20 0 GHADLP COc1cccc2c1C[C@@H]([NH+]1CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C1)CO2 ZINC001173167266 906290640 /nfs/dbraw/zinc/29/06/40/906290640.db2.gz FGZLXYKWFYVPGC-BWKNWUBXSA-N 2 2 392.543 3.987 20 0 GHADLP CCc1ccc(C[C@@H](C)N(c2cccc[nH+]2)[C@H]2COC3(C2)CC[NH2+]CC3)cc1 ZINC001173243311 906330408 /nfs/dbraw/zinc/33/04/08/906330408.db2.gz AKTYGFARZTWMGV-DENIHFKCSA-N 2 2 379.548 3.993 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc2ccccc2n1 ZINC000178664179 906369789 /nfs/dbraw/zinc/36/97/89/906369789.db2.gz YSKKUMWCKRHABF-IBGZPJMESA-N 2 2 391.515 3.797 20 0 GHADLP C[C@@H]1CC([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173678244 906617517 /nfs/dbraw/zinc/61/75/17/906617517.db2.gz ALYASTWBQLRLIQ-IAGOWNOFSA-N 2 2 377.573 3.581 20 0 GHADLP C[C@@H]1CC([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173678244 906617525 /nfs/dbraw/zinc/61/75/25/906617525.db2.gz ALYASTWBQLRLIQ-IAGOWNOFSA-N 2 2 377.573 3.581 20 0 GHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1nc2ccc(Cl)cc2n1C ZINC000180026482 906668208 /nfs/dbraw/zinc/66/82/08/906668208.db2.gz SHABWSUVDZITES-MRXNPFEDSA-N 2 2 398.938 3.910 20 0 GHADLP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)cc2)CC1 ZINC000180177597 906707411 /nfs/dbraw/zinc/70/74/11/906707411.db2.gz SECWBPCGQXSISL-VWLOTQADSA-N 2 2 386.543 3.708 20 0 GHADLP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180717103 906827374 /nfs/dbraw/zinc/82/73/74/906827374.db2.gz UHDQMWGTLHPFMK-VWLOTQADSA-N 2 2 387.527 3.918 20 0 GHADLP O[C@@]1(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001174846687 907254039 /nfs/dbraw/zinc/25/40/39/907254039.db2.gz XEZGRALNMRTNLW-NFBKMPQASA-N 2 2 386.486 3.781 20 0 GHADLP O[C@@]1(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001174846687 907254054 /nfs/dbraw/zinc/25/40/54/907254054.db2.gz XEZGRALNMRTNLW-NFBKMPQASA-N 2 2 386.486 3.781 20 0 GHADLP O[C@@]1(C[NH+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001174846687 907254064 /nfs/dbraw/zinc/25/40/64/907254064.db2.gz XEZGRALNMRTNLW-NFBKMPQASA-N 2 2 386.486 3.781 20 0 GHADLP O[C@@]1(C[NH+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001174846687 907254074 /nfs/dbraw/zinc/25/40/74/907254074.db2.gz XEZGRALNMRTNLW-NFBKMPQASA-N 2 2 386.486 3.781 20 0 GHADLP COc1ccccc1N1CCC([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000631098634 907591827 /nfs/dbraw/zinc/59/18/27/907591827.db2.gz CZWGVRJOSCMAGQ-IBGZPJMESA-N 2 2 394.563 3.874 20 0 GHADLP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000631701082 907816215 /nfs/dbraw/zinc/81/62/15/907816215.db2.gz SDNWGOINWVLRHF-HOJAQTOUSA-N 2 2 384.321 3.741 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2Cl)[C@H](C)C1 ZINC000187014473 908018890 /nfs/dbraw/zinc/01/88/90/908018890.db2.gz LUKRUDPJQXRTMY-IEBWSBKVSA-N 2 2 395.975 3.622 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2Cl)[C@H](C)C1 ZINC000187014473 908018908 /nfs/dbraw/zinc/01/89/08/908018908.db2.gz LUKRUDPJQXRTMY-IEBWSBKVSA-N 2 2 395.975 3.622 20 0 GHADLP Cc1ccccc1C(=O)N1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC001177471610 908584996 /nfs/dbraw/zinc/58/49/96/908584996.db2.gz VXRRLSUKBADJCD-UHFFFAOYSA-N 2 2 392.478 3.714 20 0 GHADLP CCOC(=O)[C@@](C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000191635967 908654942 /nfs/dbraw/zinc/65/49/42/908654942.db2.gz RAOUNJDJWIFRMY-IBGZPJMESA-N 2 2 386.458 3.514 20 0 GHADLP CN(CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001177719241 908705278 /nfs/dbraw/zinc/70/52/78/908705278.db2.gz ZQSZREFFBPRGGF-IBGZPJMESA-N 2 2 375.557 3.886 20 0 GHADLP CN(CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001177719241 908705286 /nfs/dbraw/zinc/70/52/86/908705286.db2.gz ZQSZREFFBPRGGF-IBGZPJMESA-N 2 2 375.557 3.886 20 0 GHADLP C[C@H]1C[C@@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000267444877 909504169 /nfs/dbraw/zinc/50/41/69/909504169.db2.gz JSEJRQVKADUYIK-CVDCTZTESA-N 2 2 388.515 3.714 20 0 GHADLP C[C@H]1C[C@@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000267444877 909504184 /nfs/dbraw/zinc/50/41/84/909504184.db2.gz JSEJRQVKADUYIK-CVDCTZTESA-N 2 2 388.515 3.714 20 0 GHADLP CN(C(=O)/C=C/c1cccs1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245705467 909841540 /nfs/dbraw/zinc/84/15/40/909841540.db2.gz MFAONYZHRRGVDQ-ANMDKAQQSA-N 2 2 375.582 3.557 20 0 GHADLP CN(C(=O)/C=C/c1cccs1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245705467 909841553 /nfs/dbraw/zinc/84/15/53/909841553.db2.gz MFAONYZHRRGVDQ-ANMDKAQQSA-N 2 2 375.582 3.557 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(N2CCOC2=O)cc1 ZINC000268740624 909992235 /nfs/dbraw/zinc/99/22/35/909992235.db2.gz CXOJSDAENCBQFR-QGZVFWFLSA-N 2 2 376.460 3.739 20 0 GHADLP COc1cccc([C@H]([NH3+])C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1 ZINC000638072449 910046532 /nfs/dbraw/zinc/04/65/32/910046532.db2.gz SHQGUTGRVAKAHZ-FQEVSTJZSA-N 2 2 378.476 3.702 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(-c3ccccn3)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC001180288702 910075497 /nfs/dbraw/zinc/07/54/97/910075497.db2.gz KOUOTZGDMCDQHA-NQIIRXRSSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(-c3ccccn3)n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC001180288702 910075508 /nfs/dbraw/zinc/07/55/08/910075508.db2.gz KOUOTZGDMCDQHA-NQIIRXRSSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(-c3ccccn3)n[nH]2)CC[NH+]1Cc1ccccc1 ZINC001180288702 910075518 /nfs/dbraw/zinc/07/55/18/910075518.db2.gz KOUOTZGDMCDQHA-NQIIRXRSSA-N 2 2 375.520 3.957 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(-c3ccccn3)n[nH]2)CC[NH+]1Cc1ccccc1 ZINC001180288702 910075535 /nfs/dbraw/zinc/07/55/35/910075535.db2.gz KOUOTZGDMCDQHA-NQIIRXRSSA-N 2 2 375.520 3.957 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638335250 910122807 /nfs/dbraw/zinc/12/28/07/910122807.db2.gz JTSFMRDVWSBQSE-JTHBVZDNSA-N 2 2 377.532 3.846 20 0 GHADLP CN(C)C(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638335250 910122815 /nfs/dbraw/zinc/12/28/15/910122815.db2.gz JTSFMRDVWSBQSE-JTHBVZDNSA-N 2 2 377.532 3.846 20 0 GHADLP C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000639660898 910597409 /nfs/dbraw/zinc/59/74/09/910597409.db2.gz WJIFIKNEDMHWGN-UYAOXDASSA-N 2 2 399.539 3.546 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(F)ccc3Br)CC2)CC1 ZINC000270849248 910715896 /nfs/dbraw/zinc/71/58/96/910715896.db2.gz GLLWPGPLUIUVNH-UHFFFAOYSA-N 2 2 398.364 3.579 20 0 GHADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000271569048 910964262 /nfs/dbraw/zinc/96/42/62/910964262.db2.gz VJUYVXOKSNYQEE-GMAHTHKFSA-N 2 2 390.535 3.608 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2ccnc(C[NH+](C)C)c2)cc1 ZINC000640608850 911084097 /nfs/dbraw/zinc/08/40/97/911084097.db2.gz BOFRFUHMWNMBEF-OAHLLOKOSA-N 2 2 378.480 3.520 20 0 GHADLP COc1cc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)ccc1OC(C)C ZINC000642242169 911896536 /nfs/dbraw/zinc/89/65/36/911896536.db2.gz IYFVISGFFFDEFK-UHFFFAOYSA-N 2 2 397.563 3.784 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)NCc1cccs1 ZINC000647241414 915101468 /nfs/dbraw/zinc/10/14/68/915101468.db2.gz NIINHWMZYYQVER-DSKINZAPSA-N 2 2 385.577 3.786 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)NCc1cccs1 ZINC000647241414 915101474 /nfs/dbraw/zinc/10/14/74/915101474.db2.gz NIINHWMZYYQVER-DSKINZAPSA-N 2 2 385.577 3.786 20 0 GHADLP C[NH+](C)C1(CNC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[NH+](C)CC1 ZINC001187521400 915329008 /nfs/dbraw/zinc/32/90/08/915329008.db2.gz HLTACQRPQVEPJE-UHFFFAOYSA-N 2 2 392.853 3.506 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccc2ccccc2c1 ZINC000647901889 915432560 /nfs/dbraw/zinc/43/25/60/915432560.db2.gz XCBCFQRSLPWELL-JRSMBCBASA-N 2 2 379.548 3.870 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccc2ccccc2c1 ZINC000647901889 915432570 /nfs/dbraw/zinc/43/25/70/915432570.db2.gz XCBCFQRSLPWELL-JRSMBCBASA-N 2 2 379.548 3.870 20 0 GHADLP Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000292355967 915633360 /nfs/dbraw/zinc/63/33/60/915633360.db2.gz YLCVNDCSFKDECN-ZJSXRUAMSA-N 2 2 398.522 3.915 20 0 GHADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc4cc(Cl)cnc4o3)cc2)CC1 ZINC000648423177 915695407 /nfs/dbraw/zinc/69/54/07/915695407.db2.gz CSJCQZCYWLZJKB-UHFFFAOYSA-N 2 2 384.911 3.518 20 0 GHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@@H](c2ccccc2)CC1=O ZINC000156734981 916548266 /nfs/dbraw/zinc/54/82/66/916548266.db2.gz CGZJYPXRCXWJQA-QFIPXVFZSA-N 2 2 392.547 3.594 20 0 GHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@@H](c2ccccc2)CC1=O ZINC000156734981 916548274 /nfs/dbraw/zinc/54/82/74/916548274.db2.gz CGZJYPXRCXWJQA-QFIPXVFZSA-N 2 2 392.547 3.594 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1)c1ccccc1Cl ZINC000363082893 917741850 /nfs/dbraw/zinc/74/18/50/917741850.db2.gz FKEFOZBORWOTKF-RBUKOAKNSA-N 2 2 399.922 3.545 20 0 GHADLP O=C(Nc1cccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1)c1ccccc1Cl ZINC000363082893 917741858 /nfs/dbraw/zinc/74/18/58/917741858.db2.gz FKEFOZBORWOTKF-RBUKOAKNSA-N 2 2 399.922 3.545 20 0 GHADLP CS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC000365376766 920716985 /nfs/dbraw/zinc/71/69/85/920716985.db2.gz DTBIMQLVDFWUSA-UHFFFAOYSA-N 2 2 384.973 3.630 20 0 GHADLP O=C1C[C@H](c2ccc(F)cc2)CN1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000902243078 922025705 /nfs/dbraw/zinc/02/57/05/922025705.db2.gz LMCIZWKGKJDIDY-IBGZPJMESA-N 2 2 396.510 3.512 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)C2(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000903128315 922796020 /nfs/dbraw/zinc/79/60/20/922796020.db2.gz VYLDWYCEQDRMON-SJORKVTESA-N 2 2 388.556 3.642 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000903150287 922811297 /nfs/dbraw/zinc/81/12/97/922811297.db2.gz PAIWBMUEHLLDKK-QZTJIDSGSA-N 2 2 388.556 3.533 20 0 GHADLP CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368706298 922819431 /nfs/dbraw/zinc/81/94/31/922819431.db2.gz ITEYKTJWAYYKAY-QHCPKHFHSA-N 2 2 388.515 3.668 20 0 GHADLP CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368706298 922819443 /nfs/dbraw/zinc/81/94/43/922819443.db2.gz ITEYKTJWAYYKAY-QHCPKHFHSA-N 2 2 388.515 3.668 20 0 GHADLP c1nnc([C@@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc2)[nH]1 ZINC000903455220 923035916 /nfs/dbraw/zinc/03/59/16/923035916.db2.gz JTNNUOKDSZRUHR-AFXVXQJMSA-N 2 2 387.531 3.784 20 0 GHADLP c1nnc([C@@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc2)[nH]1 ZINC000903455220 923035926 /nfs/dbraw/zinc/03/59/26/923035926.db2.gz JTNNUOKDSZRUHR-AFXVXQJMSA-N 2 2 387.531 3.784 20 0 GHADLP Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1OC(F)F ZINC000903955663 923433228 /nfs/dbraw/zinc/43/32/28/923433228.db2.gz YMHVKBMTUNMEDU-NSHDSACASA-N 2 2 399.226 3.693 20 0 GHADLP CC(C)Cc1ccc(CCCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677145774 924258664 /nfs/dbraw/zinc/25/86/64/924258664.db2.gz RSGAYVUCSITSNX-XMMPIXPASA-N 2 2 399.623 3.835 20 0 GHADLP CC(C)Cc1ccc(CCCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000677145774 924258679 /nfs/dbraw/zinc/25/86/79/924258679.db2.gz RSGAYVUCSITSNX-XMMPIXPASA-N 2 2 399.623 3.835 20 0 GHADLP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000677225986 924290355 /nfs/dbraw/zinc/29/03/55/924290355.db2.gz CNVZHCLTWKKIJQ-UHFFFAOYSA-N 2 2 391.519 3.582 20 0 GHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000677225986 924290361 /nfs/dbraw/zinc/29/03/61/924290361.db2.gz CNVZHCLTWKKIJQ-UHFFFAOYSA-N 2 2 391.519 3.582 20 0 GHADLP CN(C(=O)C[C@@H]1CCc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677289778 924314900 /nfs/dbraw/zinc/31/49/00/924314900.db2.gz DHKZQMBMAMHSLE-TUACAJSNSA-N 2 2 397.607 3.902 20 0 GHADLP CN(C(=O)C[C@@H]1CCc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677289778 924314902 /nfs/dbraw/zinc/31/49/02/924314902.db2.gz DHKZQMBMAMHSLE-TUACAJSNSA-N 2 2 397.607 3.902 20 0 GHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc(-c4c(F)cccc4F)c3)C2)CC1 ZINC000677425921 924357043 /nfs/dbraw/zinc/35/70/43/924357043.db2.gz RXEPAFAPVIGCNJ-GOSISDBHSA-N 2 2 399.485 3.530 20 0 GHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(-c4c(F)cccc4F)c3)C2)CC1 ZINC000677425921 924357049 /nfs/dbraw/zinc/35/70/49/924357049.db2.gz RXEPAFAPVIGCNJ-GOSISDBHSA-N 2 2 399.485 3.530 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000677716000 924464963 /nfs/dbraw/zinc/46/49/63/924464963.db2.gz HTVCVSZOASEQPZ-UYAOXDASSA-N 2 2 389.927 3.950 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000677716000 924464967 /nfs/dbraw/zinc/46/49/67/924464967.db2.gz HTVCVSZOASEQPZ-UYAOXDASSA-N 2 2 389.927 3.950 20 0 GHADLP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000677739236 924474896 /nfs/dbraw/zinc/47/48/96/924474896.db2.gz YDWPWBHHVGZVEC-UHFFFAOYSA-N 2 2 388.581 3.702 20 0 GHADLP CC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000678274058 924700863 /nfs/dbraw/zinc/70/08/63/924700863.db2.gz QGCHRUIXXCHUEH-UHFFFAOYSA-N 2 2 392.547 3.712 20 0 GHADLP CC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000678274058 924700870 /nfs/dbraw/zinc/70/08/70/924700870.db2.gz QGCHRUIXXCHUEH-UHFFFAOYSA-N 2 2 392.547 3.712 20 0 GHADLP C[C@H]([NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000679045813 925010661 /nfs/dbraw/zinc/01/06/61/925010661.db2.gz XOQHHCFJAIPWQQ-RDPSFJRHSA-N 2 2 390.531 3.550 20 0 GHADLP O=C1[C@@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000679213083 925067732 /nfs/dbraw/zinc/06/77/32/925067732.db2.gz ARYMGYDSBQJWGV-PBHICJAKSA-N 2 2 379.291 3.632 20 0 GHADLP O=C1[C@@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000679213083 925067744 /nfs/dbraw/zinc/06/77/44/925067744.db2.gz ARYMGYDSBQJWGV-PBHICJAKSA-N 2 2 379.291 3.632 20 0 GHADLP O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1)C1CCCC1 ZINC000372556070 925533690 /nfs/dbraw/zinc/53/36/90/925533690.db2.gz ILIDLRDQFCTVAM-LJQANCHMSA-N 2 2 387.572 3.594 20 0 GHADLP O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)C1CCCC1 ZINC000372556070 925533696 /nfs/dbraw/zinc/53/36/96/925533696.db2.gz ILIDLRDQFCTVAM-LJQANCHMSA-N 2 2 387.572 3.594 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCCNc1cccc[nH+]1 ZINC000410355219 925558985 /nfs/dbraw/zinc/55/89/85/925558985.db2.gz QFTRUABWLQGBAK-IBGZPJMESA-N 2 2 395.551 3.757 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCCNc1cccc[nH+]1 ZINC000410355219 925558992 /nfs/dbraw/zinc/55/89/92/925558992.db2.gz QFTRUABWLQGBAK-IBGZPJMESA-N 2 2 395.551 3.757 20 0 GHADLP c1ccc(-c2noc(C[NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)n2)cc1 ZINC000682671378 926204730 /nfs/dbraw/zinc/20/47/30/926204730.db2.gz KOXHFPKLLAKJRH-UHFFFAOYSA-N 2 2 378.476 3.501 20 0 GHADLP CN(Cc1cccs1)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000411686139 926642972 /nfs/dbraw/zinc/64/29/72/926642972.db2.gz CNXHAMREGXADJP-HXUWFJFHSA-N 2 2 385.577 3.597 20 0 GHADLP CN(Cc1cccs1)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000411686139 926642980 /nfs/dbraw/zinc/64/29/80/926642980.db2.gz CNXHAMREGXADJP-HXUWFJFHSA-N 2 2 385.577 3.597 20 0 GHADLP CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1occc1C ZINC000412025016 927013553 /nfs/dbraw/zinc/01/35/53/927013553.db2.gz HBRAPANHPCULBS-UHFFFAOYSA-N 2 2 387.549 3.597 20 0 GHADLP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1occc1C ZINC000412025016 927013566 /nfs/dbraw/zinc/01/35/66/927013566.db2.gz HBRAPANHPCULBS-UHFFFAOYSA-N 2 2 387.549 3.597 20 0 GHADLP CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000412208873 927209696 /nfs/dbraw/zinc/20/96/96/927209696.db2.gz FCMRFGVPLHWHHH-WZYRSQIMSA-N 2 2 383.580 3.586 20 0 GHADLP CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000412208873 927209702 /nfs/dbraw/zinc/20/97/02/927209702.db2.gz FCMRFGVPLHWHHH-WZYRSQIMSA-N 2 2 383.580 3.586 20 0 GHADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)cn2)cn1 ZINC000750056805 927409125 /nfs/dbraw/zinc/40/91/25/927409125.db2.gz JBVKXXZCYZAOGM-DEOSSOPVSA-N 2 2 387.531 3.755 20 0 GHADLP c1cn(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)cn2)cn1 ZINC000750056805 927409128 /nfs/dbraw/zinc/40/91/28/927409128.db2.gz JBVKXXZCYZAOGM-DEOSSOPVSA-N 2 2 387.531 3.755 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)cn2)cn1 ZINC000750056805 927409137 /nfs/dbraw/zinc/40/91/37/927409137.db2.gz JBVKXXZCYZAOGM-DEOSSOPVSA-N 2 2 387.531 3.755 20 0 GHADLP c1cn(-c2ccc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)cn2)cn1 ZINC000750056805 927409143 /nfs/dbraw/zinc/40/91/43/927409143.db2.gz JBVKXXZCYZAOGM-DEOSSOPVSA-N 2 2 387.531 3.755 20 0 GHADLP Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c(N(C)C)[nH+]1 ZINC000750388877 927597341 /nfs/dbraw/zinc/59/73/41/927597341.db2.gz JGSWSBNDOYYKRI-GOSISDBHSA-N 2 2 381.524 3.584 20 0 GHADLP Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c(N(C)C)[nH+]1 ZINC000750388877 927597344 /nfs/dbraw/zinc/59/73/44/927597344.db2.gz JGSWSBNDOYYKRI-GOSISDBHSA-N 2 2 381.524 3.584 20 0 GHADLP COc1ccccc1[C@H](C)N(C)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543990999 928656279 /nfs/dbraw/zinc/65/62/79/928656279.db2.gz DQOWRBSXNPLLKY-IBGZPJMESA-N 2 2 398.551 3.604 20 0 GHADLP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000467174993 928789019 /nfs/dbraw/zinc/78/90/19/928789019.db2.gz WVNPHQOUQCJIQZ-OAHLLOKOSA-N 2 2 399.938 3.629 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3c(C)cc(Br)cn23)[C@H](C)C1 ZINC000544347058 929077728 /nfs/dbraw/zinc/07/77/28/929077728.db2.gz CLHFHRCVJPLARF-PBHICJAKSA-N 2 2 379.346 3.567 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3c(C)cc(Br)cn23)[C@H](C)C1 ZINC000544347058 929077734 /nfs/dbraw/zinc/07/77/34/929077734.db2.gz CLHFHRCVJPLARF-PBHICJAKSA-N 2 2 379.346 3.567 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc3c(C)cc(Br)cn23)[C@H](C)C1 ZINC000544347058 929077743 /nfs/dbraw/zinc/07/77/43/929077743.db2.gz CLHFHRCVJPLARF-PBHICJAKSA-N 2 2 379.346 3.567 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc3c(C)cc(Br)cn23)[C@H](C)C1 ZINC000544347058 929077746 /nfs/dbraw/zinc/07/77/46/929077746.db2.gz CLHFHRCVJPLARF-PBHICJAKSA-N 2 2 379.346 3.567 20 0 GHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000544349669 929081655 /nfs/dbraw/zinc/08/16/55/929081655.db2.gz JRCLTKKMXNLEGD-SFHVURJKSA-N 2 2 386.908 3.825 20 0 GHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000544349669 929081665 /nfs/dbraw/zinc/08/16/65/929081665.db2.gz JRCLTKKMXNLEGD-SFHVURJKSA-N 2 2 386.908 3.825 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)cc1 ZINC000544355877 929086656 /nfs/dbraw/zinc/08/66/56/929086656.db2.gz RTCQFRURXKXIFJ-HSZRJFAPSA-N 2 2 394.494 3.825 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1nc(C(F)(F)F)cs1 ZINC000467633608 929259477 /nfs/dbraw/zinc/25/94/77/929259477.db2.gz PXJHKFUVKQXYOU-BBRMVZONSA-N 2 2 399.482 3.969 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1nc(C(F)(F)F)cs1 ZINC000467633608 929259486 /nfs/dbraw/zinc/25/94/86/929259486.db2.gz PXJHKFUVKQXYOU-BBRMVZONSA-N 2 2 399.482 3.969 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000544656176 929394341 /nfs/dbraw/zinc/39/43/41/929394341.db2.gz YTWJFEBFWSTPMD-KNQAVFIVSA-N 2 2 397.567 3.613 20 0 GHADLP COc1ccc(C[C@@H](C)C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1F ZINC000546308826 930044479 /nfs/dbraw/zinc/04/44/79/930044479.db2.gz UOAAKLPPAIOPCX-GOSISDBHSA-N 2 2 386.511 3.635 20 0 GHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000546660175 930335695 /nfs/dbraw/zinc/33/56/95/930335695.db2.gz VVXCPTLCUWOFGA-ZWKOTPCHSA-N 2 2 393.531 3.780 20 0 GHADLP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3CC[NH+]3Cc3ccccc3)cc2)C1 ZINC000470081645 930366870 /nfs/dbraw/zinc/36/68/70/930366870.db2.gz NBBSXDVXZWNWKV-AUSIDOKSSA-N 2 2 393.531 3.620 20 0 GHADLP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3CC[NH+]3Cc3ccccc3)cc2)C1 ZINC000470081645 930366879 /nfs/dbraw/zinc/36/68/79/930366879.db2.gz NBBSXDVXZWNWKV-AUSIDOKSSA-N 2 2 393.531 3.620 20 0 GHADLP C[C@@H]1CC[NH+](CCOc2ccc(NC(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)cc2)C1 ZINC000470081645 930366890 /nfs/dbraw/zinc/36/68/90/930366890.db2.gz NBBSXDVXZWNWKV-AUSIDOKSSA-N 2 2 393.531 3.620 20 0 GHADLP C[C@@H]1CC[NH+](CCOc2ccc(NC(=O)[C@H]3CC[N@H+]3Cc3ccccc3)cc2)C1 ZINC000470081645 930366894 /nfs/dbraw/zinc/36/68/94/930366894.db2.gz NBBSXDVXZWNWKV-AUSIDOKSSA-N 2 2 393.531 3.620 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000470541399 930698404 /nfs/dbraw/zinc/69/84/04/930698404.db2.gz HQCPQHLXCBKNAR-OAQYLSRUSA-N 2 2 388.515 3.775 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000470541399 930698412 /nfs/dbraw/zinc/69/84/12/930698412.db2.gz HQCPQHLXCBKNAR-OAQYLSRUSA-N 2 2 388.515 3.775 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000547509426 931080229 /nfs/dbraw/zinc/08/02/29/931080229.db2.gz VFJRKAPWWNAWHE-QMMLZNLJSA-N 2 2 397.950 3.946 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000547509426 931080235 /nfs/dbraw/zinc/08/02/35/931080235.db2.gz VFJRKAPWWNAWHE-QMMLZNLJSA-N 2 2 397.950 3.946 20 0 GHADLP C[C@H]1C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H]1c1ccccc1 ZINC000471021455 931101311 /nfs/dbraw/zinc/10/13/11/931101311.db2.gz JKQMIEWLDSBNAO-MBSDFSHPSA-N 2 2 395.572 3.867 20 0 GHADLP C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H]1c1ccccc1 ZINC000471021455 931101319 /nfs/dbraw/zinc/10/13/19/931101319.db2.gz JKQMIEWLDSBNAO-MBSDFSHPSA-N 2 2 395.572 3.867 20 0 GHADLP Cc1cc(C(F)F)oc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000626262036 931792679 /nfs/dbraw/zinc/79/26/79/931792679.db2.gz STGJFHKWVVPCHS-IRXDYDNUSA-N 2 2 397.510 3.935 20 0 GHADLP Cc1cc(C(F)F)oc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000626262036 931792683 /nfs/dbraw/zinc/79/26/83/931792683.db2.gz STGJFHKWVVPCHS-IRXDYDNUSA-N 2 2 397.510 3.935 20 0 GHADLP Cc1cc(C)cc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2cccnc2)c1 ZINC000925555275 931821472 /nfs/dbraw/zinc/82/14/72/931821472.db2.gz GCNURNVGUXEQMT-WXFUMESZSA-N 2 2 379.548 3.755 20 0 GHADLP Brc1ccc([C@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)s1 ZINC000925789616 931903905 /nfs/dbraw/zinc/90/39/05/931903905.db2.gz AORUOJIWJDZWMS-CZUORRHYSA-N 2 2 385.371 3.710 20 0 GHADLP c1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2C[NH2+]CC4(CCOCC4)C2)CCC3)cc1 ZINC000925794624 931905386 /nfs/dbraw/zinc/90/53/86/931905386.db2.gz HPNLNQZXEPLWFQ-MSOLQXFVSA-N 2 2 383.561 3.936 20 0 GHADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2c[nH+]ccc2-n2ccnn2)c1 ZINC000558273450 931916241 /nfs/dbraw/zinc/91/62/41/931916241.db2.gz NSYPKPTZCDWPPH-UHFFFAOYSA-N 2 2 398.470 3.547 20 0 GHADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2c[nH+]ccc2-n2ccnn2)c1 ZINC000558273450 931916248 /nfs/dbraw/zinc/91/62/48/931916248.db2.gz NSYPKPTZCDWPPH-UHFFFAOYSA-N 2 2 398.470 3.547 20 0 GHADLP C[N@@H+]1C[C@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@@H](c2ccccc2)C1 ZINC000626275725 932088580 /nfs/dbraw/zinc/08/85/80/932088580.db2.gz KQDWZHVNVQVMHV-IRLDBZIGSA-N 2 2 398.510 3.886 20 0 GHADLP C[N@H+]1C[C@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@@H](c2ccccc2)C1 ZINC000626275725 932088586 /nfs/dbraw/zinc/08/85/86/932088586.db2.gz KQDWZHVNVQVMHV-IRLDBZIGSA-N 2 2 398.510 3.886 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCOC34CCCCC4)CC2)cc1 ZINC000926528456 932217754 /nfs/dbraw/zinc/21/77/54/932217754.db2.gz PVTZTWWUJWLIJE-QFIPXVFZSA-N 2 2 385.552 3.691 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C)c1ccnn1CC1CCC1 ZINC000926643453 932258605 /nfs/dbraw/zinc/25/86/05/932258605.db2.gz TXINLWYFCNHENF-HFJQGTKSSA-N 2 2 396.583 3.683 20 0 GHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C)c1ccnn1CC1CCC1 ZINC000926643453 932258612 /nfs/dbraw/zinc/25/86/12/932258612.db2.gz TXINLWYFCNHENF-HFJQGTKSSA-N 2 2 396.583 3.683 20 0 GHADLP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1=O ZINC000559149642 932464726 /nfs/dbraw/zinc/46/47/26/932464726.db2.gz MIVJWRBIANWVAP-XMSQKQJNSA-N 2 2 398.526 3.877 20 0 GHADLP C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1=O ZINC000559342255 932613914 /nfs/dbraw/zinc/61/39/14/932613914.db2.gz LNRMJGOXSOYABW-FOIQADDNSA-N 2 2 398.507 3.915 20 0 GHADLP CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000799359774 932968749 /nfs/dbraw/zinc/96/87/49/932968749.db2.gz BYULGVGLSVIRFX-SFHVURJKSA-N 2 2 384.524 3.999 20 0 GHADLP CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000799359774 932968750 /nfs/dbraw/zinc/96/87/50/932968750.db2.gz BYULGVGLSVIRFX-SFHVURJKSA-N 2 2 384.524 3.999 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1)c1ccccc1 ZINC001116025997 933291142 /nfs/dbraw/zinc/29/11/42/933291142.db2.gz XFEFELUOXAEZNW-PKTZIBPZSA-N 2 2 394.563 3.635 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1)c1ccccc1 ZINC001116025997 933291165 /nfs/dbraw/zinc/29/11/65/933291165.db2.gz XFEFELUOXAEZNW-PKTZIBPZSA-N 2 2 394.563 3.635 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 ZINC001116134904 933354985 /nfs/dbraw/zinc/35/49/85/933354985.db2.gz NDVFBHTYQAANDK-UHFFFAOYSA-N 2 2 395.438 3.952 20 0 GHADLP Cc1oc(C(C)C)nc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000560598245 933372924 /nfs/dbraw/zinc/37/29/24/933372924.db2.gz SMMHIBCNUABTIS-MOPGFXCFSA-N 2 2 390.572 3.516 20 0 GHADLP Cc1oc(C(C)C)nc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000560598245 933372935 /nfs/dbraw/zinc/37/29/35/933372935.db2.gz SMMHIBCNUABTIS-MOPGFXCFSA-N 2 2 390.572 3.516 20 0 GHADLP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1c1ccc(Cl)cc1 ZINC000560903120 933673470 /nfs/dbraw/zinc/67/34/70/933673470.db2.gz KKTNPOTVRBFXOB-FQEVSTJZSA-N 2 2 375.944 3.832 20 0 GHADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cc(C)nnc1C ZINC000929973809 933738576 /nfs/dbraw/zinc/73/85/76/933738576.db2.gz XVTWDZKXTWCVFX-UHFFFAOYSA-N 2 2 379.508 3.781 20 0 GHADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(C)nnc1C ZINC000929973809 933738584 /nfs/dbraw/zinc/73/85/84/933738584.db2.gz XVTWDZKXTWCVFX-UHFFFAOYSA-N 2 2 379.508 3.781 20 0 GHADLP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000561545777 934259992 /nfs/dbraw/zinc/25/99/92/934259992.db2.gz FSCXEGAVGABVOF-QFIPXVFZSA-N 2 2 382.552 3.534 20 0 GHADLP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000561545777 934260001 /nfs/dbraw/zinc/26/00/01/934260001.db2.gz FSCXEGAVGABVOF-QFIPXVFZSA-N 2 2 382.552 3.534 20 0 GHADLP COc1ccc(F)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001137995243 935915142 /nfs/dbraw/zinc/91/51/42/935915142.db2.gz YJBAPOHJZGODCM-HYVJGQCMSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001137995243 935915145 /nfs/dbraw/zinc/91/51/45/935915145.db2.gz YJBAPOHJZGODCM-HYVJGQCMSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)c(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001137995243 935915146 /nfs/dbraw/zinc/91/51/46/935915146.db2.gz YJBAPOHJZGODCM-HYVJGQCMSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)c(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001137995243 935915147 /nfs/dbraw/zinc/91/51/47/935915147.db2.gz YJBAPOHJZGODCM-HYVJGQCMSA-N 2 2 383.511 3.962 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(Cl)c(C(F)(F)F)c1)CC2 ZINC001138050598 935954332 /nfs/dbraw/zinc/95/43/32/935954332.db2.gz PNEFQTPFLLXCDY-UHFFFAOYSA-N 2 2 375.822 3.989 20 0 GHADLP C[C@H](CC1CCOCC1)[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000468366519 1015632162 /nfs/dbraw/zinc/63/21/62/1015632162.db2.gz GRKFIYVQNKQSBM-GOSISDBHSA-N 2 2 379.976 3.647 20 0 GHADLP CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000468832959 1016085486 /nfs/dbraw/zinc/08/54/86/1016085486.db2.gz FBOPOMFQNHGWSE-BGYRXZFFSA-N 2 2 398.551 3.574 20 0 GHADLP CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000468832959 1016085495 /nfs/dbraw/zinc/08/54/95/1016085495.db2.gz FBOPOMFQNHGWSE-BGYRXZFFSA-N 2 2 398.551 3.574 20 0 GHADLP CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000468833454 1016087196 /nfs/dbraw/zinc/08/71/96/1016087196.db2.gz FBOPOMFQNHGWSE-WOJBJXKFSA-N 2 2 398.551 3.574 20 0 GHADLP Cc1c2cc(C)ccc2sc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000469018306 1016342355 /nfs/dbraw/zinc/34/23/55/1016342355.db2.gz QYSRYNVWGXDMHL-UHFFFAOYSA-N 2 2 385.577 3.807 20 0 GHADLP COc1cccc(Oc2nc(Cl)ncc2-n2c[nH+]cc2C2CC[NH2+]CC2)c1 ZINC001155063656 1032399451 /nfs/dbraw/zinc/39/94/51/1032399451.db2.gz WEMPOFBOAYTGJS-UHFFFAOYSA-N 2 2 385.855 3.584 20 0 GHADLP COC(=O)c1c(C)cc(C)[nH+]c1N[C@@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21 ZINC001155436959 1032541671 /nfs/dbraw/zinc/54/16/71/1032541671.db2.gz TXBFODMCQGVZGI-LJQANCHMSA-N 2 2 379.504 3.972 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001204165857 1032617773 /nfs/dbraw/zinc/61/77/73/1032617773.db2.gz IJOMWQVQPBXEMP-INIZCTEOSA-N 2 2 384.442 3.555 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001204165857 1032617774 /nfs/dbraw/zinc/61/77/74/1032617774.db2.gz IJOMWQVQPBXEMP-INIZCTEOSA-N 2 2 384.442 3.555 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC34CCOCC4)CC2)cc1 ZINC000562661423 1018501841 /nfs/dbraw/zinc/50/18/41/1018501841.db2.gz FDGKMTCSDYBFJC-JOCHJYFZSA-N 2 2 385.552 3.548 20 0 GHADLP COc1cc2c(cc1O[C@H]1[C@@H]3CC[C@H]1C[N@@H+](Cc1ccccc1)C3)C=[NH+]CC2 ZINC001228087222 1032772581 /nfs/dbraw/zinc/77/25/81/1032772581.db2.gz FWVZWWUHNMUGIV-GZOXUSKESA-N 2 2 376.500 3.960 20 0 GHADLP COc1cc2c(cc1O[C@H]1[C@@H]3CC[C@H]1C[N@H+](Cc1ccccc1)C3)C=[NH+]CC2 ZINC001228087222 1032772596 /nfs/dbraw/zinc/77/25/96/1032772596.db2.gz FWVZWWUHNMUGIV-GZOXUSKESA-N 2 2 376.500 3.960 20 0 GHADLP CC(C)(C)c1ccc(C[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001204398258 1032824485 /nfs/dbraw/zinc/82/44/85/1032824485.db2.gz WYYXCQQPNDGZFM-UHFFFAOYSA-N 2 2 381.568 3.620 20 0 GHADLP CC(C)(C)c1ccc(C[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001204398258 1032824493 /nfs/dbraw/zinc/82/44/93/1032824493.db2.gz WYYXCQQPNDGZFM-UHFFFAOYSA-N 2 2 381.568 3.620 20 0 GHADLP FC(F)(F)c1ccc(-n2cc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cn2)cc1 ZINC000569741503 1019509024 /nfs/dbraw/zinc/50/90/24/1019509024.db2.gz ORWYEZWPWLLANT-LJQANCHMSA-N 2 2 388.393 3.939 20 0 GHADLP FC(F)(F)c1ccc(-n2cc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cn2)cc1 ZINC000569741503 1019509038 /nfs/dbraw/zinc/50/90/38/1019509038.db2.gz ORWYEZWPWLLANT-LJQANCHMSA-N 2 2 388.393 3.939 20 0 GHADLP C[C@@H]1C[C@H](CC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000574235185 1019857190 /nfs/dbraw/zinc/85/71/90/1019857190.db2.gz BRAVWLZMQPEWIP-KAGYGMCKSA-N 2 2 375.520 3.784 20 0 GHADLP C[C@@H]1C[C@H](CC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000574235185 1019857203 /nfs/dbraw/zinc/85/72/03/1019857203.db2.gz BRAVWLZMQPEWIP-KAGYGMCKSA-N 2 2 375.520 3.784 20 0 GHADLP FC(F)(F)Oc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001204429157 1032861977 /nfs/dbraw/zinc/86/19/77/1032861977.db2.gz BNAIZFAAZPDBTO-QZTJIDSGSA-N 2 2 377.410 3.544 20 0 GHADLP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1nc(C[NH+]2CCC[C@H](C)C2)cs1 ZINC000575950840 1019961564 /nfs/dbraw/zinc/96/15/64/1019961564.db2.gz STQKFGRFPQGJME-HOTGVXAUSA-N 2 2 381.590 3.617 20 0 GHADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1nc(C[NH+]2CCC[C@H](C)C2)cs1 ZINC000575950840 1019961567 /nfs/dbraw/zinc/96/15/67/1019961567.db2.gz STQKFGRFPQGJME-HOTGVXAUSA-N 2 2 381.590 3.617 20 0 GHADLP CCCC[NH+](C)C[C@H](C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000575950840 1019961569 /nfs/dbraw/zinc/96/15/69/1019961569.db2.gz STQKFGRFPQGJME-HOTGVXAUSA-N 2 2 381.590 3.617 20 0 GHADLP CCCC[NH+](C)C[C@H](C)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000575950840 1019961572 /nfs/dbraw/zinc/96/15/72/1019961572.db2.gz STQKFGRFPQGJME-HOTGVXAUSA-N 2 2 381.590 3.617 20 0 GHADLP Fc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c(Cl)c1 ZINC001204437424 1032874519 /nfs/dbraw/zinc/87/45/19/1032874519.db2.gz LNEMUKGSGUEISG-UHFFFAOYSA-N 2 2 378.875 3.939 20 0 GHADLP Fc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c(Cl)c1 ZINC001204437424 1032874532 /nfs/dbraw/zinc/87/45/32/1032874532.db2.gz LNEMUKGSGUEISG-UHFFFAOYSA-N 2 2 378.875 3.939 20 0 GHADLP CC[C@H](C(=O)Nc1nc2c(s1)C[NH+](C(C)C)CC2)[N@@H+](C)Cc1ccccc1 ZINC000577151035 1020135296 /nfs/dbraw/zinc/13/52/96/1020135296.db2.gz PTCIPGLWEWDGTP-GOSISDBHSA-N 2 2 386.565 3.759 20 0 GHADLP CC[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2)[NH+](C)Cc1ccccc1 ZINC000577151035 1020135303 /nfs/dbraw/zinc/13/53/03/1020135303.db2.gz PTCIPGLWEWDGTP-GOSISDBHSA-N 2 2 386.565 3.759 20 0 GHADLP CC[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2)[NH+](C)Cc1ccccc1 ZINC000577151035 1020135309 /nfs/dbraw/zinc/13/53/09/1020135309.db2.gz PTCIPGLWEWDGTP-GOSISDBHSA-N 2 2 386.565 3.759 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000779007493 1020179886 /nfs/dbraw/zinc/17/98/86/1020179886.db2.gz FLQFLOWVFMQFNW-QUCCMNQESA-N 2 2 384.524 3.714 20 0 GHADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000635416563 1020982876 /nfs/dbraw/zinc/98/28/76/1020982876.db2.gz LTBHOLZCTDPQLI-QGZVFWFLSA-N 2 2 380.414 3.654 20 0 GHADLP CNC(=O)C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000639129271 1021065505 /nfs/dbraw/zinc/06/55/05/1021065505.db2.gz QSACXBLTFCSTLH-PMVMPFDFSA-N 2 2 377.532 3.822 20 0 GHADLP CNC(=O)C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000639129271 1021065512 /nfs/dbraw/zinc/06/55/12/1021065512.db2.gz QSACXBLTFCSTLH-PMVMPFDFSA-N 2 2 377.532 3.822 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CCC(C2CC[NH2+]CC2)CC1)c1ccccc1Cl ZINC001161207679 1021185582 /nfs/dbraw/zinc/18/55/82/1021185582.db2.gz CPHGETZPOMABCM-OAQYLSRUSA-N 2 2 391.987 3.961 20 0 GHADLP c1csc(-c2cccc(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c2)n1 ZINC001140334802 1021434993 /nfs/dbraw/zinc/43/49/93/1021434993.db2.gz WFKCVPAGPGRBSQ-PMACEKPBSA-N 2 2 376.529 3.769 20 0 GHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903896098 1021648140 /nfs/dbraw/zinc/64/81/40/1021648140.db2.gz SEZXPMWACHZYDG-SJLPKXTDSA-N 2 2 396.564 3.828 20 0 GHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903896098 1021648149 /nfs/dbraw/zinc/64/81/49/1021648149.db2.gz SEZXPMWACHZYDG-SJLPKXTDSA-N 2 2 396.564 3.828 20 0 GHADLP CN(C(=O)CCc1ccccc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677290274 1021814869 /nfs/dbraw/zinc/81/48/69/1021814869.db2.gz IYZIXXHBKSOMKP-FGZHOGPDSA-N 2 2 389.559 3.554 20 0 GHADLP CN(C(=O)CCc1ccccc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677290274 1021814888 /nfs/dbraw/zinc/81/48/88/1021814888.db2.gz IYZIXXHBKSOMKP-FGZHOGPDSA-N 2 2 389.559 3.554 20 0 GHADLP FC(F)Oc1c(Br)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000679025642 1021953504 /nfs/dbraw/zinc/95/35/04/1021953504.db2.gz OWLAYIARSAUXAO-QWHCGFSZSA-N 2 2 375.257 3.767 20 0 GHADLP FC(F)Oc1c(Br)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000679025642 1021953506 /nfs/dbraw/zinc/95/35/06/1021953506.db2.gz OWLAYIARSAUXAO-QWHCGFSZSA-N 2 2 375.257 3.767 20 0 GHADLP CCC(C)(C)C1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000681212991 1022268839 /nfs/dbraw/zinc/26/88/39/1022268839.db2.gz KNURDBWUDMFGDY-GRERDSQWSA-N 2 2 392.632 3.791 20 0 GHADLP CCC(C)(C)C1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000681212991 1022268845 /nfs/dbraw/zinc/26/88/45/1022268845.db2.gz KNURDBWUDMFGDY-GRERDSQWSA-N 2 2 392.632 3.791 20 0 GHADLP FC(F)(F)c1ccncc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001140916959 1022873352 /nfs/dbraw/zinc/87/33/52/1022873352.db2.gz KXNZMYLTNRHZOT-UHFFFAOYSA-N 2 2 395.425 3.560 20 0 GHADLP FC(F)(F)c1ccncc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001140916959 1022873364 /nfs/dbraw/zinc/87/33/64/1022873364.db2.gz KXNZMYLTNRHZOT-UHFFFAOYSA-N 2 2 395.425 3.560 20 0 GHADLP C/C(=C\C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000755206068 1023128024 /nfs/dbraw/zinc/12/80/24/1023128024.db2.gz KAESGEUQHROPHX-KHZUJUORSA-N 2 2 383.580 3.886 20 0 GHADLP C/C(=C\C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000755206068 1023128025 /nfs/dbraw/zinc/12/80/25/1023128025.db2.gz KAESGEUQHROPHX-KHZUJUORSA-N 2 2 383.580 3.886 20 0 GHADLP c1cc(-c2ccccn2)sc1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001140999675 1023136215 /nfs/dbraw/zinc/13/62/15/1023136215.db2.gz CVSZNDMARZWDIA-OALUTQOASA-N 2 2 376.529 3.769 20 0 GHADLP Fc1ccc(C(F)(F)F)c(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001138088779 1024037904 /nfs/dbraw/zinc/03/79/04/1024037904.db2.gz FBDNYBRZCRFGSY-UHFFFAOYSA-N 2 2 396.432 3.695 20 0 GHADLP Fc1ccc(C(F)(F)F)c(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001138088779 1024037916 /nfs/dbraw/zinc/03/79/16/1024037916.db2.gz FBDNYBRZCRFGSY-UHFFFAOYSA-N 2 2 396.432 3.695 20 0 GHADLP C[NH+](C)CCc1cccc(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c1 ZINC001141370056 1024747508 /nfs/dbraw/zinc/74/75/08/1024747508.db2.gz YMSFDGOBUVVJGL-UHFFFAOYSA-N 2 2 382.895 3.560 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(OCC)cc3C)CC2)C1 ZINC001138432224 1024832851 /nfs/dbraw/zinc/83/28/51/1024832851.db2.gz IMRBQEZOTHIKIK-FQEVSTJZSA-N 2 2 388.552 3.633 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(OCC)cc3C)CC2)C1 ZINC001138432224 1024832877 /nfs/dbraw/zinc/83/28/77/1024832877.db2.gz IMRBQEZOTHIKIK-FQEVSTJZSA-N 2 2 388.552 3.633 20 0 GHADLP COc1ccc(Cl)cc1C[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001138482308 1024912949 /nfs/dbraw/zinc/91/29/49/1024912949.db2.gz IKBIIGLCIJRRDD-UHFFFAOYSA-N 2 2 387.911 3.615 20 0 GHADLP COc1cc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)ccc1OC(C)C ZINC001138572533 1025044975 /nfs/dbraw/zinc/04/49/75/1025044975.db2.gz WHNJVBFZDFUWIW-QHCPKHFHSA-N 2 2 390.568 3.805 20 0 GHADLP COc1cc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)ccc1OC(C)C ZINC001138572533 1025044990 /nfs/dbraw/zinc/04/49/90/1025044990.db2.gz WHNJVBFZDFUWIW-QHCPKHFHSA-N 2 2 390.568 3.805 20 0 GHADLP COc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)ccc1OC(C)C ZINC001138572533 1025045001 /nfs/dbraw/zinc/04/50/01/1025045001.db2.gz WHNJVBFZDFUWIW-QHCPKHFHSA-N 2 2 390.568 3.805 20 0 GHADLP COc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)ccc1OC(C)C ZINC001138572533 1025045014 /nfs/dbraw/zinc/04/50/14/1025045014.db2.gz WHNJVBFZDFUWIW-QHCPKHFHSA-N 2 2 390.568 3.805 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3N3CCCC3)CC2)C1 ZINC001138609132 1025098626 /nfs/dbraw/zinc/09/86/26/1025098626.db2.gz IQSNOGWNMFHBET-NRFANRHFSA-N 2 2 399.579 3.526 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3N3CCCC3)CC2)C1 ZINC001138609132 1025098638 /nfs/dbraw/zinc/09/86/38/1025098638.db2.gz IQSNOGWNMFHBET-NRFANRHFSA-N 2 2 399.579 3.526 20 0 GHADLP Cc1cccc(Cl)c1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001138720975 1025245574 /nfs/dbraw/zinc/24/55/74/1025245574.db2.gz FORXUBJPPMDBPY-DXIQSLLYSA-N 2 2 399.970 3.615 20 0 GHADLP Cc1cccc(Cl)c1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001138720975 1025245578 /nfs/dbraw/zinc/24/55/78/1025245578.db2.gz FORXUBJPPMDBPY-DXIQSLLYSA-N 2 2 399.970 3.615 20 0 GHADLP Cc1cccc(Cl)c1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001138720975 1025245582 /nfs/dbraw/zinc/24/55/82/1025245582.db2.gz FORXUBJPPMDBPY-DXIQSLLYSA-N 2 2 399.970 3.615 20 0 GHADLP Cc1cccc(Cl)c1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001138720975 1025245586 /nfs/dbraw/zinc/24/55/86/1025245586.db2.gz FORXUBJPPMDBPY-DXIQSLLYSA-N 2 2 399.970 3.615 20 0 GHADLP CCCCc1ccc(C[NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)s1 ZINC001138755852 1025307889 /nfs/dbraw/zinc/30/78/89/1025307889.db2.gz VEVHSGOCSWSNDI-UHFFFAOYSA-N 2 2 385.581 3.803 20 0 GHADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cnn(Cc5ccccc5)c4)C[C@@H]3C2)cc1 ZINC001138765807 1025331412 /nfs/dbraw/zinc/33/14/12/1025331412.db2.gz YOJLLJIEJLISKH-PLQXJYEYSA-N 2 2 386.543 3.804 20 0 GHADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cnn(Cc5ccccc5)c4)C[C@@H]3C2)cc1 ZINC001138765807 1025331425 /nfs/dbraw/zinc/33/14/25/1025331425.db2.gz YOJLLJIEJLISKH-PLQXJYEYSA-N 2 2 386.543 3.804 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cnn(Cc5ccccc5)c4)C[C@@H]3C2)cc1 ZINC001138765807 1025331432 /nfs/dbraw/zinc/33/14/32/1025331432.db2.gz YOJLLJIEJLISKH-PLQXJYEYSA-N 2 2 386.543 3.804 20 0 GHADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cnn(Cc5ccccc5)c4)C[C@@H]3C2)cc1 ZINC001138765807 1025331449 /nfs/dbraw/zinc/33/14/49/1025331449.db2.gz YOJLLJIEJLISKH-PLQXJYEYSA-N 2 2 386.543 3.804 20 0 GHADLP Cn1cc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c(C2CCCCC2)n1 ZINC001461034354 1069349468 /nfs/dbraw/zinc/34/94/68/1069349468.db2.gz BJUDBTCMORNEKK-UHFFFAOYSA-N 2 2 395.595 3.770 20 0 GHADLP c1ccc2c(c1)CCC21CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001139055769 1025843101 /nfs/dbraw/zinc/84/31/01/1025843101.db2.gz UQGPQGZFVONXHT-UHFFFAOYSA-N 2 2 376.544 3.999 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4ccn(CC)c4c3)CC2)C1 ZINC001139122258 1025933481 /nfs/dbraw/zinc/93/34/81/1025933481.db2.gz TUZNSRXKGVZIJI-NRFANRHFSA-N 2 2 397.563 3.901 20 0 GHADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4ccn(CC)c4c3)CC2)C1 ZINC001139122258 1025933488 /nfs/dbraw/zinc/93/34/88/1025933488.db2.gz TUZNSRXKGVZIJI-NRFANRHFSA-N 2 2 397.563 3.901 20 0 GHADLP CCOC(=O)COc1ccccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139136361 1025948824 /nfs/dbraw/zinc/94/88/24/1025948824.db2.gz WGMFDWMXEWBEGN-OAQYLSRUSA-N 2 2 396.531 3.582 20 0 GHADLP CCOC(=O)COc1ccccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139136361 1025948829 /nfs/dbraw/zinc/94/88/29/1025948829.db2.gz WGMFDWMXEWBEGN-OAQYLSRUSA-N 2 2 396.531 3.582 20 0 GHADLP CCOC(=O)COc1ccccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001139136361 1025948832 /nfs/dbraw/zinc/94/88/32/1025948832.db2.gz WGMFDWMXEWBEGN-OAQYLSRUSA-N 2 2 396.531 3.582 20 0 GHADLP CCOC(=O)COc1ccccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139136361 1025948834 /nfs/dbraw/zinc/94/88/34/1025948834.db2.gz WGMFDWMXEWBEGN-OAQYLSRUSA-N 2 2 396.531 3.582 20 0 GHADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cn(C)c3ccc(Br)cc23)CC1 ZINC001139217585 1026071586 /nfs/dbraw/zinc/07/15/86/1026071586.db2.gz VVNXDUWUACHYHA-UHFFFAOYSA-N 2 2 399.336 3.966 20 0 GHADLP CCOC(=O)c1cc2cc[nH+]c(NC3CC[NH+](C[C@@H]4CC=CCC4)CC3)c2[nH]1 ZINC001163315711 1026140688 /nfs/dbraw/zinc/14/06/88/1026140688.db2.gz QQWMXEXBADZYSB-MRXNPFEDSA-N 2 2 382.508 3.972 20 0 GHADLP C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139356142 1026227969 /nfs/dbraw/zinc/22/79/69/1026227969.db2.gz FOUHPLOYIPMVKJ-HKUYNNGSSA-N 2 2 384.524 3.998 20 0 GHADLP C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139356142 1026227982 /nfs/dbraw/zinc/22/79/82/1026227982.db2.gz FOUHPLOYIPMVKJ-HKUYNNGSSA-N 2 2 384.524 3.998 20 0 GHADLP O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001139360113 1026232878 /nfs/dbraw/zinc/23/28/78/1026232878.db2.gz RCKDVZJNQNLODZ-QFIPXVFZSA-N 2 2 386.499 3.511 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)[NH+]1CCCC[C@H]1C ZINC001141693763 1026270525 /nfs/dbraw/zinc/27/05/25/1026270525.db2.gz DEUUBCPKCYZEIB-MBOZVWFJSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)[NH+]1CCCC[C@H]1C ZINC001141693763 1026270536 /nfs/dbraw/zinc/27/05/36/1026270536.db2.gz DEUUBCPKCYZEIB-MBOZVWFJSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1)[N@@H+]1CCCC[C@H]1C ZINC001141693763 1026270548 /nfs/dbraw/zinc/27/05/48/1026270548.db2.gz DEUUBCPKCYZEIB-MBOZVWFJSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CNC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1)[N@H+]1CCCC[C@H]1C ZINC001141693763 1026270559 /nfs/dbraw/zinc/27/05/59/1026270559.db2.gz DEUUBCPKCYZEIB-MBOZVWFJSA-N 2 2 377.960 3.684 20 0 GHADLP c1cc(-c2ccc(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)cn2)cs1 ZINC001139497865 1026354771 /nfs/dbraw/zinc/35/47/71/1026354771.db2.gz HHHXCLAJJCFBCU-BGYRXZFFSA-N 2 2 376.529 3.769 20 0 GHADLP c1cc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)cn2)cs1 ZINC001139497865 1026354777 /nfs/dbraw/zinc/35/47/77/1026354777.db2.gz HHHXCLAJJCFBCU-BGYRXZFFSA-N 2 2 376.529 3.769 20 0 GHADLP c1cc(-c2ccc(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)cn2)cs1 ZINC001139497865 1026354787 /nfs/dbraw/zinc/35/47/87/1026354787.db2.gz HHHXCLAJJCFBCU-BGYRXZFFSA-N 2 2 376.529 3.769 20 0 GHADLP c1cc(-c2ccc(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)cn2)cs1 ZINC001139497865 1026354796 /nfs/dbraw/zinc/35/47/96/1026354796.db2.gz HHHXCLAJJCFBCU-BGYRXZFFSA-N 2 2 376.529 3.769 20 0 GHADLP Cc1cc(N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)c2ccccc2[nH+]1 ZINC001164203025 1026449977 /nfs/dbraw/zinc/44/99/77/1026449977.db2.gz KTBIGVJUEGYQJW-UHFFFAOYSA-N 2 2 388.519 3.650 20 0 GHADLP Cc1cc(N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)c2ccccc2[nH+]1 ZINC001164203025 1026449982 /nfs/dbraw/zinc/44/99/82/1026449982.db2.gz KTBIGVJUEGYQJW-UHFFFAOYSA-N 2 2 388.519 3.650 20 0 GHADLP C[NH+](C)C1(CNc2nnc(-c3cccs3)c3ccccc32)CC[NH+](C)CC1 ZINC001164211211 1026453704 /nfs/dbraw/zinc/45/37/04/1026453704.db2.gz NPDBEYYGHSCQAB-UHFFFAOYSA-N 2 2 381.549 3.796 20 0 GHADLP CCOc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1Cl ZINC001139592878 1026456165 /nfs/dbraw/zinc/45/61/65/1026456165.db2.gz BYEUGNIEZHTSNH-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP CCOc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1Cl ZINC001139592878 1026456171 /nfs/dbraw/zinc/45/61/71/1026456171.db2.gz BYEUGNIEZHTSNH-UHFFFAOYSA-N 2 2 388.943 3.589 20 0 GHADLP CCOc1ccncc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001139629204 1026495366 /nfs/dbraw/zinc/49/53/66/1026495366.db2.gz BXGPUZQMZSUKPH-VLCRHTCISA-N 2 2 380.536 3.608 20 0 GHADLP CCOc1ccncc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001139629204 1026495369 /nfs/dbraw/zinc/49/53/69/1026495369.db2.gz BXGPUZQMZSUKPH-VLCRHTCISA-N 2 2 380.536 3.608 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cn4ccncc4n3)C[C@@H]21 ZINC001139695862 1026545180 /nfs/dbraw/zinc/54/51/80/1026545180.db2.gz ZFNBUOFIRDCACD-LSTHTHJFSA-N 2 2 381.549 3.523 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cn4ccncc4n3)C[C@@H]21 ZINC001139695862 1026545181 /nfs/dbraw/zinc/54/51/81/1026545181.db2.gz ZFNBUOFIRDCACD-LSTHTHJFSA-N 2 2 381.549 3.523 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cn4ccncc4n3)C[C@@H]21 ZINC001139695862 1026545182 /nfs/dbraw/zinc/54/51/82/1026545182.db2.gz ZFNBUOFIRDCACD-LSTHTHJFSA-N 2 2 381.549 3.523 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cn4ccncc4n3)C[C@@H]21 ZINC001139695862 1026545185 /nfs/dbraw/zinc/54/51/85/1026545185.db2.gz ZFNBUOFIRDCACD-LSTHTHJFSA-N 2 2 381.549 3.523 20 0 GHADLP COC(=O)c1cccc2[nH]cc(C[NH+]3C[C@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)c21 ZINC001139717448 1026559939 /nfs/dbraw/zinc/55/99/39/1026559939.db2.gz DEJIGNUNBZJCIZ-IRXDYDNUSA-N 2 2 395.528 3.580 20 0 GHADLP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[NH+](CCc2ccncc2)CC1 ZINC001165059194 1026580065 /nfs/dbraw/zinc/58/00/65/1026580065.db2.gz ASMZYOGMFCHUHW-UHFFFAOYSA-N 2 2 387.531 3.595 20 0 GHADLP Fc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001139759921 1026596274 /nfs/dbraw/zinc/59/62/74/1026596274.db2.gz HLGXKXYTFOAXTG-HSZRJFAPSA-N 2 2 384.495 3.874 20 0 GHADLP Fc1ccc([C@H]2CCC[N@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001139759921 1026596280 /nfs/dbraw/zinc/59/62/80/1026596280.db2.gz HLGXKXYTFOAXTG-HSZRJFAPSA-N 2 2 384.495 3.874 20 0 GHADLP Cc1[nH+]c2c(n1-c1ccc3cc(OCc4ccccc4)ccc3n1)CC[NH2+]CC2 ZINC001165353979 1026710463 /nfs/dbraw/zinc/71/04/63/1026710463.db2.gz WSQDLKKKVHDKPD-UHFFFAOYSA-N 2 2 384.483 3.996 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001140021968 1026806880 /nfs/dbraw/zinc/80/68/80/1026806880.db2.gz VVYRKLCAHLDMLA-PMACEKPBSA-N 2 2 382.508 3.764 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001140021968 1026806885 /nfs/dbraw/zinc/80/68/85/1026806885.db2.gz VVYRKLCAHLDMLA-PMACEKPBSA-N 2 2 382.508 3.764 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC2(CC1)NC(=O)Nc1ccccc12 ZINC001140026967 1026815229 /nfs/dbraw/zinc/81/52/29/1026815229.db2.gz RTASOVIMYDHOSF-UHFFFAOYSA-N 2 2 387.487 3.807 20 0 GHADLP CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)C1 ZINC001203332536 1027280078 /nfs/dbraw/zinc/28/00/78/1027280078.db2.gz VYRLVHFRPVQKAP-QZTJIDSGSA-N 2 2 377.916 3.645 20 0 GHADLP Cc1cc(N)[nH+]cc1Nc1cc[nH+]c2cc(I)ccc12 ZINC001209965543 1027294933 /nfs/dbraw/zinc/29/49/33/1027294933.db2.gz FCWFJXKBJYPMOU-UHFFFAOYSA-N 2 2 376.201 3.869 20 0 GHADLP CC(C)C[NH+]1CCC(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001141816631 1027350990 /nfs/dbraw/zinc/35/09/90/1027350990.db2.gz CZQFIFQIFLMCBE-KDURUIRLSA-N 2 2 387.568 3.602 20 0 GHADLP CC(C)C[NH+]1CCC(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001141816631 1027351009 /nfs/dbraw/zinc/35/10/09/1027351009.db2.gz CZQFIFQIFLMCBE-KDURUIRLSA-N 2 2 387.568 3.602 20 0 GHADLP Brc1cc(CN2CC[NH2+]C[C@@H]2c2ccccc2)ccc1-n1cc[nH+]c1 ZINC001210226691 1027391080 /nfs/dbraw/zinc/39/10/80/1027391080.db2.gz IYAHJILYAIKGCT-HXUWFJFHSA-N 2 2 397.320 3.781 20 0 GHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2nccc3c2CCCC3)CC1 ZINC001203664878 1027518412 /nfs/dbraw/zinc/51/84/12/1027518412.db2.gz AUAUYQJHQOOWOL-UHFFFAOYSA-N 2 2 384.955 3.655 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC001203942484 1027737239 /nfs/dbraw/zinc/73/72/39/1027737239.db2.gz XDCZGJAYVRVKIL-UHFFFAOYSA-N 2 2 393.531 3.655 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC001203942484 1027737254 /nfs/dbraw/zinc/73/72/54/1027737254.db2.gz XDCZGJAYVRVKIL-UHFFFAOYSA-N 2 2 393.531 3.655 20 0 GHADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc(Br)c1SC(C)(C)C ZINC001461371004 1069521709 /nfs/dbraw/zinc/52/17/09/1069521709.db2.gz WWDKRTGRLURKRL-KRWDZBQOSA-N 2 2 389.403 3.742 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc5c(c4)OCCCO5)C[C@H]3C2)cc1 ZINC001142273931 1028546785 /nfs/dbraw/zinc/54/67/85/1028546785.db2.gz JPEMSSBESLADNU-VXKWHMMOSA-N 2 2 378.516 3.802 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc5c(c4)OCCCO5)C[C@H]3C2)cc1 ZINC001142273931 1028546792 /nfs/dbraw/zinc/54/67/92/1028546792.db2.gz JPEMSSBESLADNU-VXKWHMMOSA-N 2 2 378.516 3.802 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc5c(c4)OCCCO5)C[C@H]3C2)cc1 ZINC001142273931 1028546801 /nfs/dbraw/zinc/54/68/01/1028546801.db2.gz JPEMSSBESLADNU-VXKWHMMOSA-N 2 2 378.516 3.802 20 0 GHADLP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc5c(c4)OCCCO5)C[C@H]3C2)cc1 ZINC001142273931 1028546810 /nfs/dbraw/zinc/54/68/10/1028546810.db2.gz JPEMSSBESLADNU-VXKWHMMOSA-N 2 2 378.516 3.802 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4nc[nH]c43)C[C@H]21 ZINC001142686896 1029269908 /nfs/dbraw/zinc/26/99/08/1029269908.db2.gz KFOQTOMKHZVQJE-UCNVEGJOSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4nc[nH]c43)C[C@H]21 ZINC001142686896 1029269925 /nfs/dbraw/zinc/26/99/25/1029269925.db2.gz KFOQTOMKHZVQJE-UCNVEGJOSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4nc[nH]c43)C[C@H]21 ZINC001142686896 1029269941 /nfs/dbraw/zinc/26/99/41/1029269941.db2.gz KFOQTOMKHZVQJE-UCNVEGJOSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4nc[nH]c43)C[C@H]21 ZINC001142686896 1029269952 /nfs/dbraw/zinc/26/99/52/1029269952.db2.gz KFOQTOMKHZVQJE-UCNVEGJOSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4c(cn3)OCCO4)C[C@H]21 ZINC001143059132 1029818988 /nfs/dbraw/zinc/81/89/88/1029818988.db2.gz ZATUJWBJIQZXIQ-PWIZWCRZSA-N 2 2 399.560 3.647 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4c(cn3)OCCO4)C[C@H]21 ZINC001143059132 1029818996 /nfs/dbraw/zinc/81/89/96/1029818996.db2.gz ZATUJWBJIQZXIQ-PWIZWCRZSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4c(cn3)OCCO4)C[C@H]21 ZINC001143059132 1029819001 /nfs/dbraw/zinc/81/90/01/1029819001.db2.gz ZATUJWBJIQZXIQ-PWIZWCRZSA-N 2 2 399.560 3.647 20 0 GHADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c(cn3)OCCO4)C[C@H]21 ZINC001143059132 1029819007 /nfs/dbraw/zinc/81/90/07/1029819007.db2.gz ZATUJWBJIQZXIQ-PWIZWCRZSA-N 2 2 399.560 3.647 20 0 GHADLP COc1cc(OC)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1Br ZINC001222315886 1030065980 /nfs/dbraw/zinc/06/59/80/1030065980.db2.gz QFOQVSYXXWGDPH-GOSISDBHSA-N 2 2 383.330 3.574 20 0 GHADLP COc1cc(OC)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1Br ZINC001222315886 1030065995 /nfs/dbraw/zinc/06/59/95/1030065995.db2.gz QFOQVSYXXWGDPH-GOSISDBHSA-N 2 2 383.330 3.574 20 0 GHADLP Clc1ccc(Cn2cc(C[NH+]3CC4(C3)CCC[NH2+]C4)c3ccccc32)cn1 ZINC001222335624 1030079255 /nfs/dbraw/zinc/07/92/55/1030079255.db2.gz YXXZPWKKZOHPBR-UHFFFAOYSA-N 2 2 380.923 3.923 20 0 GHADLP c1cn(-c2ccccc2-c2noc(-c3ccc4[nH]c5c(c4c3)C[NH2+]CC5)n2)c[nH+]1 ZINC001217450555 1030404514 /nfs/dbraw/zinc/40/45/14/1030404514.db2.gz FDHPBEGIVOFEFA-UHFFFAOYSA-N 2 2 382.427 3.716 20 0 GHADLP O[C@@H](CC[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)C1CCCC1 ZINC001461698477 1069686151 /nfs/dbraw/zinc/68/61/51/1069686151.db2.gz CUFPSTRWEDQYJG-IBGZPJMESA-N 2 2 377.916 3.646 20 0 GHADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001151971058 1031064230 /nfs/dbraw/zinc/06/42/30/1031064230.db2.gz BQDKCOZPGWSPHN-LJQANCHMSA-N 2 2 392.503 3.698 20 0 GHADLP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001151971058 1031064248 /nfs/dbraw/zinc/06/42/48/1031064248.db2.gz BQDKCOZPGWSPHN-LJQANCHMSA-N 2 2 392.503 3.698 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CC[C@H]2CCC3(CCOCC3)CO2)C[N@@H+]1Cc1ccccc1 ZINC001461749128 1069723046 /nfs/dbraw/zinc/72/30/46/1069723046.db2.gz AOXCKOZJRXHENR-FGZHOGPDSA-N 2 2 386.580 3.995 20 0 GHADLP CC1(C)C[C@@H]([NH2+]CC[C@H]2CCC3(CCOCC3)CO2)C[N@H+]1Cc1ccccc1 ZINC001461749128 1069723060 /nfs/dbraw/zinc/72/30/60/1069723060.db2.gz AOXCKOZJRXHENR-FGZHOGPDSA-N 2 2 386.580 3.995 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001461754008 1069725623 /nfs/dbraw/zinc/72/56/23/1069725623.db2.gz NNTKWIPHXMBXQQ-IEBWSBKVSA-N 2 2 384.524 3.855 20 0 GHADLP Cc1cccn2cc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc12 ZINC001153503374 1031620086 /nfs/dbraw/zinc/62/00/86/1031620086.db2.gz GLSXZHCAALOAKB-YADHBBJMSA-N 2 2 396.579 3.657 20 0 GHADLP Cc1cccn2cc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc12 ZINC001153503374 1031620101 /nfs/dbraw/zinc/62/01/01/1031620101.db2.gz GLSXZHCAALOAKB-YADHBBJMSA-N 2 2 396.579 3.657 20 0 GHADLP CN(C(=O)/C=C\C=C(Cl)Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001153503220 1031620323 /nfs/dbraw/zinc/62/03/23/1031620323.db2.gz CCNYISCXEAWYJC-XRMLWCHGSA-N 2 2 388.383 3.657 20 0 GHADLP CN(C(=O)/C=C\C=C(Cl)Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001153503220 1031620333 /nfs/dbraw/zinc/62/03/33/1031620333.db2.gz CCNYISCXEAWYJC-XRMLWCHGSA-N 2 2 388.383 3.657 20 0 GHADLP Fc1cc2[nH+]c(NCc3ccnn3-c3cc[nH+]cc3)[nH]c2cc1Br ZINC001461809442 1069762014 /nfs/dbraw/zinc/76/20/14/1069762014.db2.gz CTRFBUJPEOKLPL-UHFFFAOYSA-N 2 2 387.216 3.657 20 0 GHADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001205692770 1033532899 /nfs/dbraw/zinc/53/28/99/1033532899.db2.gz KIXVOUIJKVAKQV-GOSISDBHSA-N 2 2 393.572 3.611 20 0 GHADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001205692770 1033532908 /nfs/dbraw/zinc/53/29/08/1033532908.db2.gz KIXVOUIJKVAKQV-GOSISDBHSA-N 2 2 393.572 3.611 20 0 GHADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001205914076 1033632736 /nfs/dbraw/zinc/63/27/36/1033632736.db2.gz KUSIUMOQVKKQAE-CMPLNLGQSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001205914076 1033632746 /nfs/dbraw/zinc/63/27/46/1033632746.db2.gz KUSIUMOQVKKQAE-CMPLNLGQSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001205914077 1033633153 /nfs/dbraw/zinc/63/31/53/1033633153.db2.gz KUSIUMOQVKKQAE-JQWIXIFHSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001205914077 1033633160 /nfs/dbraw/zinc/63/31/60/1033633160.db2.gz KUSIUMOQVKKQAE-JQWIXIFHSA-N 2 2 381.236 3.907 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CC[N@H+](CC)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC001157550451 1033652371 /nfs/dbraw/zinc/65/23/71/1033652371.db2.gz YKYGSVVBGKLSGP-QAPCUYQASA-N 2 2 385.474 3.641 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CC[N@@H+](CC)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC001157550451 1033652381 /nfs/dbraw/zinc/65/23/81/1033652381.db2.gz YKYGSVVBGKLSGP-QAPCUYQASA-N 2 2 385.474 3.641 20 0 GHADLP Cc1cc(N(C2CC[NH2+]CC2)C(F)(F)c2cc(Cl)ncc2F)nc(C)[nH+]1 ZINC001158391934 1034059295 /nfs/dbraw/zinc/05/92/95/1034059295.db2.gz PGZQHALTZPFZJT-UHFFFAOYSA-N 2 2 385.821 3.589 20 0 GHADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001207187047 1034157432 /nfs/dbraw/zinc/15/74/32/1034157432.db2.gz ODSIPKADQSGTMF-MJGOQNOKSA-N 2 2 387.959 3.781 20 0 GHADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001207187047 1034157433 /nfs/dbraw/zinc/15/74/33/1034157433.db2.gz ODSIPKADQSGTMF-MJGOQNOKSA-N 2 2 387.959 3.781 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001207187047 1034157437 /nfs/dbraw/zinc/15/74/37/1034157437.db2.gz ODSIPKADQSGTMF-MJGOQNOKSA-N 2 2 387.959 3.781 20 0 GHADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001207187047 1034157441 /nfs/dbraw/zinc/15/74/41/1034157441.db2.gz ODSIPKADQSGTMF-MJGOQNOKSA-N 2 2 387.959 3.781 20 0 GHADLP O=C(OCc1ccccc1)[C@H]1CCC[NH2+][C@@H](Nc2cc(N3CCCC3)cc[nH+]2)C1 ZINC001158586981 1034177771 /nfs/dbraw/zinc/17/77/71/1034177771.db2.gz UEUCFAUFBOZHDG-FPOVZHCZSA-N 2 2 394.519 3.553 20 0 GHADLP CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001207405772 1034344580 /nfs/dbraw/zinc/34/45/80/1034344580.db2.gz ODNDQDNKWAZKQX-IBGZPJMESA-N 2 2 398.551 3.945 20 0 GHADLP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001207405772 1034344589 /nfs/dbraw/zinc/34/45/89/1034344589.db2.gz ODNDQDNKWAZKQX-IBGZPJMESA-N 2 2 398.551 3.945 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001159209047 1034484178 /nfs/dbraw/zinc/48/41/78/1034484178.db2.gz VIYJHLCOBZANRT-NFBKMPQASA-N 2 2 396.579 3.780 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001159209047 1034484179 /nfs/dbraw/zinc/48/41/79/1034484179.db2.gz VIYJHLCOBZANRT-NFBKMPQASA-N 2 2 396.579 3.780 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CC2(C)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001207816562 1034594985 /nfs/dbraw/zinc/59/49/85/1034594985.db2.gz PAQMBFQUIDCAEG-SFHVURJKSA-N 2 2 389.540 3.880 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CC2(C)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001207816562 1034594994 /nfs/dbraw/zinc/59/49/94/1034594994.db2.gz PAQMBFQUIDCAEG-SFHVURJKSA-N 2 2 389.540 3.880 20 0 GHADLP CCOc1cc(C[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)ccc1OC(=O)CC ZINC001207844765 1034619757 /nfs/dbraw/zinc/61/97/57/1034619757.db2.gz QZKAINZTLZJUHA-ZRZAMGCNSA-N 2 2 386.536 3.709 20 0 GHADLP CCOc1cc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)ccc1OC(=O)CC ZINC001207844765 1034619765 /nfs/dbraw/zinc/61/97/65/1034619765.db2.gz QZKAINZTLZJUHA-ZRZAMGCNSA-N 2 2 386.536 3.709 20 0 GHADLP CCOc1cc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)ccc1OC(=O)CC ZINC001207844765 1034619772 /nfs/dbraw/zinc/61/97/72/1034619772.db2.gz QZKAINZTLZJUHA-ZRZAMGCNSA-N 2 2 386.536 3.709 20 0 GHADLP CCOc1cc(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)ccc1OC(=O)CC ZINC001207844765 1034619781 /nfs/dbraw/zinc/61/97/81/1034619781.db2.gz QZKAINZTLZJUHA-ZRZAMGCNSA-N 2 2 386.536 3.709 20 0 GHADLP COCc1cc[nH+]c(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC001159519513 1034635133 /nfs/dbraw/zinc/63/51/33/1034635133.db2.gz HIUCPXSYZCHLEH-QHCPKHFHSA-N 2 2 391.515 3.703 20 0 GHADLP Nc1[nH+]c(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)ccc1Cl ZINC001159519742 1034635379 /nfs/dbraw/zinc/63/53/79/1034635379.db2.gz JCUHCWLXFDNDMM-LJQANCHMSA-N 2 2 396.922 3.792 20 0 GHADLP CCOc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OCCCOC ZINC001231551691 1034704729 /nfs/dbraw/zinc/70/47/29/1034704729.db2.gz PWMRCOQXJWBUAK-HXUWFJFHSA-N 2 2 386.492 3.549 20 0 GHADLP CCOc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OCCCOC ZINC001231551691 1034704739 /nfs/dbraw/zinc/70/47/39/1034704739.db2.gz PWMRCOQXJWBUAK-HXUWFJFHSA-N 2 2 386.492 3.549 20 0 GHADLP CCOc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)ccc1OC(=O)C(C)C ZINC001231559886 1034711700 /nfs/dbraw/zinc/71/17/00/1034711700.db2.gz KDXBTWWFAIZGJH-UHFFFAOYSA-N 2 2 376.541 3.951 20 0 GHADLP CCOc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)ccc1OC(=O)C(C)C ZINC001231559886 1034711710 /nfs/dbraw/zinc/71/17/10/1034711710.db2.gz KDXBTWWFAIZGJH-UHFFFAOYSA-N 2 2 376.541 3.951 20 0 GHADLP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001208207455 1034798452 /nfs/dbraw/zinc/79/84/52/1034798452.db2.gz YLUPQRMDIDPHOY-LJQANCHMSA-N 2 2 393.620 3.946 20 0 GHADLP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001208207455 1034798461 /nfs/dbraw/zinc/79/84/61/1034798461.db2.gz YLUPQRMDIDPHOY-LJQANCHMSA-N 2 2 393.620 3.946 20 0 GHADLP COC(C)(C)CCC[C@@H](C)CC[NH+]1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001208207455 1034798476 /nfs/dbraw/zinc/79/84/76/1034798476.db2.gz YLUPQRMDIDPHOY-LJQANCHMSA-N 2 2 393.620 3.946 20 0 GHADLP COC(C)(C)CCC[C@@H](C)CC[NH+]1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001208207455 1034798488 /nfs/dbraw/zinc/79/84/88/1034798488.db2.gz YLUPQRMDIDPHOY-LJQANCHMSA-N 2 2 393.620 3.946 20 0 GHADLP COC(C)(C)CCC[C@H](C)CC[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001208208593 1034800609 /nfs/dbraw/zinc/80/06/09/1034800609.db2.gz ZDNZDUHIEGNLOX-KSEOMHKRSA-N 2 2 390.616 3.795 20 0 GHADLP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001208208593 1034800622 /nfs/dbraw/zinc/80/06/22/1034800622.db2.gz ZDNZDUHIEGNLOX-KSEOMHKRSA-N 2 2 390.616 3.795 20 0 GHADLP COC(C)(C)CCC[C@H](C)CC[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001208208593 1034800632 /nfs/dbraw/zinc/80/06/32/1034800632.db2.gz ZDNZDUHIEGNLOX-KSEOMHKRSA-N 2 2 390.616 3.795 20 0 GHADLP COC(C)(C)CCC[C@H](C)CC[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001208208593 1034800644 /nfs/dbraw/zinc/80/06/44/1034800644.db2.gz ZDNZDUHIEGNLOX-KSEOMHKRSA-N 2 2 390.616 3.795 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001208234463 1034823266 /nfs/dbraw/zinc/82/32/66/1034823266.db2.gz HZPKADPYJWMPHM-OALUTQOASA-N 2 2 389.540 3.880 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001208234463 1034823282 /nfs/dbraw/zinc/82/32/82/1034823282.db2.gz HZPKADPYJWMPHM-OALUTQOASA-N 2 2 389.540 3.880 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC(C)=O ZINC001231708329 1034851258 /nfs/dbraw/zinc/85/12/58/1034851258.db2.gz TXIHRVDBJMDRHX-DEOSSOPVSA-N 2 2 394.515 3.719 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC(C)=O ZINC001231708329 1034851262 /nfs/dbraw/zinc/85/12/62/1034851262.db2.gz TXIHRVDBJMDRHX-DEOSSOPVSA-N 2 2 394.515 3.719 20 0 GHADLP COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC(C)=O ZINC001231708329 1034851270 /nfs/dbraw/zinc/85/12/70/1034851270.db2.gz TXIHRVDBJMDRHX-DEOSSOPVSA-N 2 2 394.515 3.719 20 0 GHADLP COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OC(C)=O ZINC001231708329 1034851280 /nfs/dbraw/zinc/85/12/80/1034851280.db2.gz TXIHRVDBJMDRHX-DEOSSOPVSA-N 2 2 394.515 3.719 20 0 GHADLP CC[NH+]1CCC(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001208601721 1034952382 /nfs/dbraw/zinc/95/23/82/1034952382.db2.gz RQIPCLOOUIWPHE-DEOSSOPVSA-N 2 2 392.543 3.889 20 0 GHADLP CC[NH+]1CCC(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001208601721 1034952386 /nfs/dbraw/zinc/95/23/86/1034952386.db2.gz RQIPCLOOUIWPHE-DEOSSOPVSA-N 2 2 392.543 3.889 20 0 GHADLP C[N@H+](CCOCCOCc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001208745571 1034996233 /nfs/dbraw/zinc/99/62/33/1034996233.db2.gz PZTBGEDHPBARCJ-UHFFFAOYSA-N 2 2 382.548 3.816 20 0 GHADLP C[N@@H+](CCOCCOCc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001208745571 1034996234 /nfs/dbraw/zinc/99/62/34/1034996234.db2.gz PZTBGEDHPBARCJ-UHFFFAOYSA-N 2 2 382.548 3.816 20 0 GHADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001160739900 1035050570 /nfs/dbraw/zinc/05/05/70/1035050570.db2.gz RRBCWUZIGSXZOE-QFIPXVFZSA-N 2 2 380.536 3.576 20 0 GHADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001160739900 1035050578 /nfs/dbraw/zinc/05/05/78/1035050578.db2.gz RRBCWUZIGSXZOE-QFIPXVFZSA-N 2 2 380.536 3.576 20 0 GHADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cc3ncccc3[nH]1)CC2 ZINC001232062962 1035072181 /nfs/dbraw/zinc/07/21/81/1035072181.db2.gz MAFBAMPMQMALDZ-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cc3ncccc3[nH]1)CC2 ZINC001232062962 1035072187 /nfs/dbraw/zinc/07/21/87/1035072187.db2.gz MAFBAMPMQMALDZ-UHFFFAOYSA-N 2 2 379.508 3.798 20 0 GHADLP C[C@@H](C[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1)C(F)(F)F ZINC001208889976 1035076621 /nfs/dbraw/zinc/07/66/21/1035076621.db2.gz CYZVDRCLEKGODM-GOEBONIOSA-N 2 2 377.401 3.813 20 0 GHADLP C[C@@H](C[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1)C(F)(F)F ZINC001208889976 1035076626 /nfs/dbraw/zinc/07/66/26/1035076626.db2.gz CYZVDRCLEKGODM-GOEBONIOSA-N 2 2 377.401 3.813 20 0 GHADLP C[C@@H](C[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1)C(F)(F)F ZINC001208889976 1035076633 /nfs/dbraw/zinc/07/66/33/1035076633.db2.gz CYZVDRCLEKGODM-GOEBONIOSA-N 2 2 377.401 3.813 20 0 GHADLP C[C@@H](C[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1)C(F)(F)F ZINC001208889976 1035076642 /nfs/dbraw/zinc/07/66/42/1035076642.db2.gz CYZVDRCLEKGODM-GOEBONIOSA-N 2 2 377.401 3.813 20 0 GHADLP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948242 1035119440 /nfs/dbraw/zinc/11/94/40/1035119440.db2.gz FUVCCQJFTDFTSL-NHCUHLMSSA-N 2 2 387.568 3.840 20 0 GHADLP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948242 1035119446 /nfs/dbraw/zinc/11/94/46/1035119446.db2.gz FUVCCQJFTDFTSL-NHCUHLMSSA-N 2 2 387.568 3.840 20 0 GHADLP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208948242 1035119452 /nfs/dbraw/zinc/11/94/52/1035119452.db2.gz FUVCCQJFTDFTSL-NHCUHLMSSA-N 2 2 387.568 3.840 20 0 GHADLP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948242 1035119457 /nfs/dbraw/zinc/11/94/57/1035119457.db2.gz FUVCCQJFTDFTSL-NHCUHLMSSA-N 2 2 387.568 3.840 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCCCC23CN(C(=O)OC(C)(C)C)C3)c1 ZINC001232145036 1035123040 /nfs/dbraw/zinc/12/30/40/1035123040.db2.gz SKGRHTFXRFRJSF-UHFFFAOYSA-N 2 2 391.531 3.863 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCCC23CN(C(=O)OC(C)(C)C)C3)c1 ZINC001232145036 1035123041 /nfs/dbraw/zinc/12/30/41/1035123041.db2.gz SKGRHTFXRFRJSF-UHFFFAOYSA-N 2 2 391.531 3.863 20 0 GHADLP COc1ccc(Cl)cc1N1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208952474 1035125182 /nfs/dbraw/zinc/12/51/82/1035125182.db2.gz JORWIQNFGWXXPV-FQEVSTJZSA-N 2 2 399.966 3.993 20 0 GHADLP COc1ccc(Cl)cc1N1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208952474 1035125188 /nfs/dbraw/zinc/12/51/88/1035125188.db2.gz JORWIQNFGWXXPV-FQEVSTJZSA-N 2 2 399.966 3.993 20 0 GHADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232150109 1035128678 /nfs/dbraw/zinc/12/86/78/1035128678.db2.gz TVAOBDHGOYYGPG-HZPDHXFCSA-N 2 2 379.520 3.717 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001209006592 1035146958 /nfs/dbraw/zinc/14/69/58/1035146958.db2.gz HNDBNWSSACBUER-FQEVSTJZSA-N 2 2 391.531 3.731 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)C[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001209006592 1035146963 /nfs/dbraw/zinc/14/69/63/1035146963.db2.gz HNDBNWSSACBUER-FQEVSTJZSA-N 2 2 391.531 3.731 20 0 GHADLP CC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@H](C)c1cccc(OC)c1 ZINC001461961464 1069916529 /nfs/dbraw/zinc/91/65/29/1069916529.db2.gz AOICVKVIKGKKKD-HXUWFJFHSA-N 2 2 398.547 3.989 20 0 GHADLP CC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@H](C)c1cccc(OC)c1 ZINC001461961464 1069916534 /nfs/dbraw/zinc/91/65/34/1069916534.db2.gz AOICVKVIKGKKKD-HXUWFJFHSA-N 2 2 398.547 3.989 20 0 GHADLP [NH3+][C@H](Cc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1)Cc1cccc(Cl)c1 ZINC001248192994 1035621206 /nfs/dbraw/zinc/62/12/06/1035621206.db2.gz WUTVLCXOPOJREA-KRWDZBQOSA-N 2 2 379.851 3.688 20 0 GHADLP Nc1[nH+]cccc1-c1ccc2c(c1)C(=O)OC21CC[NH+](Cc2ccccc2)CC1 ZINC001243476550 1036162477 /nfs/dbraw/zinc/16/24/77/1036162477.db2.gz FJXUISASLCVGGD-UHFFFAOYSA-N 2 2 385.467 3.993 20 0 GHADLP CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc1 ZINC001246060957 1037173200 /nfs/dbraw/zinc/17/32/00/1037173200.db2.gz RZYRXRDGMIZGPM-NRFANRHFSA-N 2 2 394.559 3.818 20 0 GHADLP O[C@]1(C[N@@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC001246062750 1037176237 /nfs/dbraw/zinc/17/62/37/1037176237.db2.gz GAPFPIZNLXBJQB-MZYLBHOOSA-N 2 2 397.950 3.560 20 0 GHADLP O[C@]1(C[N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC001246062750 1037176244 /nfs/dbraw/zinc/17/62/44/1037176244.db2.gz GAPFPIZNLXBJQB-MZYLBHOOSA-N 2 2 397.950 3.560 20 0 GHADLP O[C@]1(C[NH+]2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC001246062750 1037176252 /nfs/dbraw/zinc/17/62/52/1037176252.db2.gz GAPFPIZNLXBJQB-MZYLBHOOSA-N 2 2 397.950 3.560 20 0 GHADLP O[C@]1(C[NH+]2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001246062750 1037176266 /nfs/dbraw/zinc/17/62/66/1037176266.db2.gz GAPFPIZNLXBJQB-MZYLBHOOSA-N 2 2 397.950 3.560 20 0 GHADLP CCCOC[C@@H](O)C[N@@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001246068017 1037183701 /nfs/dbraw/zinc/18/37/01/1037183701.db2.gz RAROFIIFOZSMHN-QHCPKHFHSA-N 2 2 394.559 3.571 20 0 GHADLP CCCOC[C@@H](O)C[N@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001246068017 1037183715 /nfs/dbraw/zinc/18/37/15/1037183715.db2.gz RAROFIIFOZSMHN-QHCPKHFHSA-N 2 2 394.559 3.571 20 0 GHADLP C[C@]1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH2+]CC1(F)F ZINC001246218580 1037243100 /nfs/dbraw/zinc/24/31/00/1037243100.db2.gz BOSUSCPCCUIHGE-PLACYPQZSA-N 3 2 377.523 3.797 20 0 GHADLP C[C@]1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH2+]CC1(F)F ZINC001246218580 1037243118 /nfs/dbraw/zinc/24/31/18/1037243118.db2.gz BOSUSCPCCUIHGE-PLACYPQZSA-N 3 2 377.523 3.797 20 0 GHADLP CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246249195 1037254090 /nfs/dbraw/zinc/25/40/90/1037254090.db2.gz JUXDIFGNLITRGZ-WWAKMMQFSA-N 2 2 388.552 3.547 20 0 GHADLP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2C(=O)OC)C[C@H](CC)[NH2+]1 ZINC001246278005 1037273480 /nfs/dbraw/zinc/27/34/80/1037273480.db2.gz JGVGSUQKVVDZCE-MUJYYYPQSA-N 2 2 383.330 3.635 20 0 GHADLP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]C[C@H]([NH3+])c2ccccc2)CC1 ZINC001246278234 1037273857 /nfs/dbraw/zinc/27/38/57/1037273857.db2.gz FRSHZHSWJFVQPP-FUHYEJFZSA-N 2 2 386.923 3.983 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CC[NH2+]1 ZINC001246331111 1037297543 /nfs/dbraw/zinc/29/75/43/1037297543.db2.gz HRUZXRIKVNIYDT-IRLDBZIGSA-N 3 2 385.527 3.657 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]Cc2cc(OCC3CCC3)ncn2)CC[NH2+]1 ZINC001246383330 1037343693 /nfs/dbraw/zinc/34/36/93/1037343693.db2.gz HVQAGRSYKYLGBI-WIYYLYMNSA-N 2 2 384.499 3.686 20 0 GHADLP [NH3+]C1(Cc2ccc(F)cc2)CC[NH+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246395106 1037356833 /nfs/dbraw/zinc/35/68/33/1037356833.db2.gz MNDYJRFFWHYWPR-XZOQPEGZSA-N 3 2 381.539 3.525 20 0 GHADLP [NH3+]C1(Cc2cccc(F)c2)CC[NH+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246421436 1037378204 /nfs/dbraw/zinc/37/82/04/1037378204.db2.gz SAKJHMYWLYCQGF-PKTZIBPZSA-N 3 2 381.539 3.525 20 0 GHADLP O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)N1CCCCC1 ZINC001246462848 1037418199 /nfs/dbraw/zinc/41/81/99/1037418199.db2.gz JEKNRJBMYCZFAU-SGNDLWITSA-N 2 2 391.559 3.693 20 0 GHADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)CSc2ccc(Cl)cc2)cc1 ZINC001246526414 1037458414 /nfs/dbraw/zinc/45/84/14/1037458414.db2.gz QCWYPCJARSEOTD-FZKQIMNGSA-N 2 2 378.925 3.897 20 0 GHADLP O=c1[nH]c2ccccc2n1C1CC[NH+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC001246678049 1037544131 /nfs/dbraw/zinc/54/41/31/1037544131.db2.gz MEEZPNJLGKRFLX-TZIWHRDSSA-N 2 2 376.504 3.872 20 0 GHADLP CC(C)n1cnc2c1cc(C1CC[NH+]([C@H]3CCC[NH2+]C3)CC1)nc2N1CCCC1 ZINC001246691873 1037551256 /nfs/dbraw/zinc/55/12/56/1037551256.db2.gz UMXLPRMQIRFKJX-IBGZPJMESA-N 2 2 396.583 3.544 20 0 GHADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(Br)cc1NC(C)=O ZINC001462195342 1070072758 /nfs/dbraw/zinc/07/27/58/1070072758.db2.gz CPSATBFIUXMHRX-UHFFFAOYSA-N 2 2 384.362 3.961 20 0 GHADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(Br)cc1NC(C)=O ZINC001462195342 1070072774 /nfs/dbraw/zinc/07/27/74/1070072774.db2.gz CPSATBFIUXMHRX-UHFFFAOYSA-N 2 2 384.362 3.961 20 0 GHADLP C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246722215 1037573314 /nfs/dbraw/zinc/57/33/14/1037573314.db2.gz QRPNOUCDWDHEMO-QUCCMNQESA-N 2 2 386.584 3.889 20 0 GHADLP C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246722215 1037573319 /nfs/dbraw/zinc/57/33/19/1037573319.db2.gz QRPNOUCDWDHEMO-QUCCMNQESA-N 2 2 386.584 3.889 20 0 GHADLP CCCC[C@H]1C[C@@H]([NH+]2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246784746 1037623539 /nfs/dbraw/zinc/62/35/39/1037623539.db2.gz ZCKVDIQIFBKUTI-PMACEKPBSA-N 2 2 394.401 3.878 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH2+]1 ZINC001246825529 1037658459 /nfs/dbraw/zinc/65/84/59/1037658459.db2.gz VPGYUTKSBXUOGV-GRSYGWAWSA-N 2 2 379.523 3.886 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH2+]1 ZINC001246825529 1037658471 /nfs/dbraw/zinc/65/84/71/1037658471.db2.gz VPGYUTKSBXUOGV-GRSYGWAWSA-N 2 2 379.523 3.886 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001462205385 1070080060 /nfs/dbraw/zinc/08/00/60/1070080060.db2.gz WZGMDMRACVHMMQ-APWZRJJASA-N 2 2 379.976 3.787 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001462205385 1070080079 /nfs/dbraw/zinc/08/00/79/1070080079.db2.gz WZGMDMRACVHMMQ-APWZRJJASA-N 2 2 379.976 3.787 20 0 GHADLP c1ccc([C@H]2C[C@@H]([NH+]3CCC(Oc4cnc5ccccc5n4)CC3)CC[NH2+]2)cc1 ZINC001246876829 1037690913 /nfs/dbraw/zinc/69/09/13/1037690913.db2.gz MYKZLTHGMIEWAF-WMZHIEFXSA-N 2 2 388.515 3.966 20 0 GHADLP O=C(c1ccccc1)N1CCC([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246936155 1037740466 /nfs/dbraw/zinc/74/04/66/1037740466.db2.gz MHSSGSVDPBWRCW-HSZRJFAPSA-N 2 2 395.522 3.685 20 0 GHADLP O=C(c1ccccc1)N1CCC([N@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246936155 1037740487 /nfs/dbraw/zinc/74/04/87/1037740487.db2.gz MHSSGSVDPBWRCW-HSZRJFAPSA-N 2 2 395.522 3.685 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1)C2 ZINC001246939290 1037745726 /nfs/dbraw/zinc/74/57/26/1037745726.db2.gz UMRYDTWDQYBLKJ-JSXRDJHFSA-N 2 2 389.515 3.532 20 0 GHADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1)C2 ZINC001246939290 1037745743 /nfs/dbraw/zinc/74/57/43/1037745743.db2.gz UMRYDTWDQYBLKJ-JSXRDJHFSA-N 2 2 389.515 3.532 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@H]([N@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246954200 1037763338 /nfs/dbraw/zinc/76/33/38/1037763338.db2.gz FESYGBVMWXWQME-YOEHRIQHSA-N 2 2 398.469 3.780 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246954200 1037763361 /nfs/dbraw/zinc/76/33/61/1037763361.db2.gz FESYGBVMWXWQME-YOEHRIQHSA-N 2 2 398.469 3.780 20 0 GHADLP Fc1cc(F)c(C[N@H+](C2CC[NH2+]CC2)[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)c(F)c1 ZINC001246958558 1037774529 /nfs/dbraw/zinc/77/45/29/1037774529.db2.gz SMXJUODNEJLLQJ-DYESRHJHSA-N 3 2 381.486 3.580 20 0 GHADLP Fc1cc(F)c(C[N@@H+](C2CC[NH2+]CC2)[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)c(F)c1 ZINC001246958558 1037774547 /nfs/dbraw/zinc/77/45/47/1037774547.db2.gz SMXJUODNEJLLQJ-DYESRHJHSA-N 3 2 381.486 3.580 20 0 GHADLP COc1cccc(OC2CC[NH+]([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)n1 ZINC001246969053 1037792671 /nfs/dbraw/zinc/79/26/71/1037792671.db2.gz JCVGRBIICSEHLX-GHTZIAJQSA-N 2 2 399.510 3.874 20 0 GHADLP CCOC(=O)c1ccc(C[C@@H](C)[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc1 ZINC001247000023 1037824350 /nfs/dbraw/zinc/82/43/50/1037824350.db2.gz DRHFCVBJKLLGTO-GOSISDBHSA-N 2 2 378.516 3.889 20 0 GHADLP CCOC(=O)[C@H]1c2ccc(Cl)cc2CC[N@@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001247005445 1037830487 /nfs/dbraw/zinc/83/04/87/1037830487.db2.gz UEAPOZHKTGSJLZ-PKOBYXMFSA-N 2 2 376.928 3.725 20 0 GHADLP CCOC(=O)[C@H]1c2ccc(Cl)cc2CC[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001247005445 1037830512 /nfs/dbraw/zinc/83/05/12/1037830512.db2.gz UEAPOZHKTGSJLZ-PKOBYXMFSA-N 2 2 376.928 3.725 20 0 GHADLP Fc1cc(-c2noc([C@H]3CCCc4c[nH+]cn43)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247249949 1038025600 /nfs/dbraw/zinc/02/56/00/1038025600.db2.gz DNYAQOXKCOJDOX-RTBURBONSA-N 2 2 390.422 3.730 20 0 GHADLP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001462232251 1070104837 /nfs/dbraw/zinc/10/48/37/1070104837.db2.gz QFDFQRZRKKKOJY-MJGOQNOKSA-N 2 2 375.557 3.932 20 0 GHADLP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001462232251 1070104844 /nfs/dbraw/zinc/10/48/44/1070104844.db2.gz QFDFQRZRKKKOJY-MJGOQNOKSA-N 2 2 375.557 3.932 20 0 GHADLP CSc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001232328723 1038108159 /nfs/dbraw/zinc/10/81/59/1038108159.db2.gz IDAOMJRBPVPVST-TYPHKJRUSA-N 2 2 382.577 3.931 20 0 GHADLP CSc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001232328723 1038108170 /nfs/dbraw/zinc/10/81/70/1038108170.db2.gz IDAOMJRBPVPVST-TYPHKJRUSA-N 2 2 382.577 3.931 20 0 GHADLP CSc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001232328723 1038108179 /nfs/dbraw/zinc/10/81/79/1038108179.db2.gz IDAOMJRBPVPVST-TYPHKJRUSA-N 2 2 382.577 3.931 20 0 GHADLP CSc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001232328723 1038108186 /nfs/dbraw/zinc/10/81/86/1038108186.db2.gz IDAOMJRBPVPVST-TYPHKJRUSA-N 2 2 382.577 3.931 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)c(C)n1 ZINC001232332009 1038112674 /nfs/dbraw/zinc/11/26/74/1038112674.db2.gz KSHCVMMHEPIQTC-UHFFFAOYSA-N 2 2 384.524 3.634 20 0 GHADLP COc1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)c(C)n1 ZINC001232332009 1038112680 /nfs/dbraw/zinc/11/26/80/1038112680.db2.gz KSHCVMMHEPIQTC-UHFFFAOYSA-N 2 2 384.524 3.634 20 0 GHADLP COc1cc(Cl)ccc1C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001232498373 1038270981 /nfs/dbraw/zinc/27/09/81/1038270981.db2.gz DLOFZXKXVMUKDX-UHFFFAOYSA-N 2 2 388.943 3.713 20 0 GHADLP COc1cc(Cl)ccc1C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001232498373 1038270986 /nfs/dbraw/zinc/27/09/86/1038270986.db2.gz DLOFZXKXVMUKDX-UHFFFAOYSA-N 2 2 388.943 3.713 20 0 GHADLP Clc1ccc(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)cc1Br ZINC001247862261 1038432519 /nfs/dbraw/zinc/43/25/19/1038432519.db2.gz VCLHINXHSDUNIL-CYBMUJFWSA-N 2 2 397.704 3.699 20 0 GHADLP c1cn(-c2ccc(-c3noc([C@@H]4Oc5ccccc5C45CC[NH2+]CC5)n3)cc2)c[nH+]1 ZINC001247899081 1038471458 /nfs/dbraw/zinc/47/14/58/1038471458.db2.gz SEULPJCEZZOCGT-FQEVSTJZSA-N 2 2 399.454 3.677 20 0 GHADLP CC[N@H+](CCC[NH+](C)C)Cc1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001232770313 1038544455 /nfs/dbraw/zinc/54/44/55/1038544455.db2.gz NATXJJDRFBFFND-UHFFFAOYSA-N 2 2 381.586 3.815 20 0 GHADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001232770313 1038544462 /nfs/dbraw/zinc/54/44/62/1038544462.db2.gz NATXJJDRFBFFND-UHFFFAOYSA-N 2 2 381.586 3.815 20 0 GHADLP c1ccc(C[NH+]2CCC3(CCC[N@@H+](Cc4nc5ccccn5n4)C3)CC2)cc1 ZINC001233074525 1038839181 /nfs/dbraw/zinc/83/91/81/1038839181.db2.gz NNNSNKGXRLWHGN-UHFFFAOYSA-N 2 2 375.520 3.608 20 0 GHADLP c1ccc(C[NH+]2CCC3(CCC[N@H+](Cc4nc5ccccn5n4)C3)CC2)cc1 ZINC001233074525 1038839207 /nfs/dbraw/zinc/83/92/07/1038839207.db2.gz NNNSNKGXRLWHGN-UHFFFAOYSA-N 2 2 375.520 3.608 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 ZINC001252429708 1038991766 /nfs/dbraw/zinc/99/17/66/1038991766.db2.gz HLXJCZMXGYBTOW-ZDUSSCGKSA-N 2 2 392.488 3.885 20 0 GHADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001253209357 1039476499 /nfs/dbraw/zinc/47/64/99/1039476499.db2.gz ASNOJEJRMGLHFG-PKOBYXMFSA-N 2 2 391.556 3.555 20 0 GHADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC001253216921 1039478021 /nfs/dbraw/zinc/47/80/21/1039478021.db2.gz QLJNRJBLGQECFE-FGZHOGPDSA-N 2 2 390.955 3.890 20 0 GHADLP COc1ncc(Cl)cc1C[NH+]1CCC2(C[NH+](CCCC(F)(F)F)C2)CC1 ZINC001278708264 1039504329 /nfs/dbraw/zinc/50/43/29/1039504329.db2.gz IEKPPWQTFHNXMK-UHFFFAOYSA-N 2 2 391.865 3.984 20 0 GHADLP COc1cc(C[N@@H+](Cc2ccccc2)CC(OC)OC)ccc1-n1cc[nH+]c1 ZINC001234032152 1039773253 /nfs/dbraw/zinc/77/32/53/1039773253.db2.gz HIBXQWKVFDZJMJ-UHFFFAOYSA-N 2 2 381.476 3.502 20 0 GHADLP COc1cc(C[N@H+](Cc2ccccc2)CC(OC)OC)ccc1-n1cc[nH+]c1 ZINC001234032152 1039773271 /nfs/dbraw/zinc/77/32/71/1039773271.db2.gz HIBXQWKVFDZJMJ-UHFFFAOYSA-N 2 2 381.476 3.502 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC001462428449 1070245510 /nfs/dbraw/zinc/24/55/10/1070245510.db2.gz RICLFXDPAQHCJO-QZTJIDSGSA-N 2 2 385.552 3.694 20 0 GHADLP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC001462428449 1070245515 /nfs/dbraw/zinc/24/55/15/1070245515.db2.gz RICLFXDPAQHCJO-QZTJIDSGSA-N 2 2 385.552 3.694 20 0 GHADLP CCC[C@H](CCc1ccccc1)[NH+]1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001254490142 1040274549 /nfs/dbraw/zinc/27/45/49/1040274549.db2.gz LFDMQMUSGNBGSQ-HSZRJFAPSA-N 2 2 393.575 3.898 20 0 GHADLP COc1ccccc1C1([NH3+])CC[NH+](C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254621442 1040393025 /nfs/dbraw/zinc/39/30/25/1040393025.db2.gz YCQRHJQPBSERBH-UHFFFAOYSA-N 2 2 383.511 3.753 20 0 GHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001254739707 1040497742 /nfs/dbraw/zinc/49/77/42/1040497742.db2.gz FYOSWFYPXGPEIH-OALUTQOASA-N 2 2 379.589 3.876 20 0 GHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001254739707 1040497749 /nfs/dbraw/zinc/49/77/49/1040497749.db2.gz FYOSWFYPXGPEIH-OALUTQOASA-N 2 2 379.589 3.876 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(CC[C@H]([NH2+]CCOc3cc[nH+]cc3)C2)CC1 ZINC001254744623 1040503982 /nfs/dbraw/zinc/50/39/82/1040503982.db2.gz QYSWLYXINDTEAP-KRWDZBQOSA-N 2 2 375.513 3.620 20 0 GHADLP Brc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC001235016967 1040505036 /nfs/dbraw/zinc/50/50/36/1040505036.db2.gz DQNUHXUYXMLACQ-QAPCUYQASA-N 2 2 376.298 3.636 20 0 GHADLP Brc1cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC001235016967 1040505057 /nfs/dbraw/zinc/50/50/57/1040505057.db2.gz DQNUHXUYXMLACQ-QAPCUYQASA-N 2 2 376.298 3.636 20 0 GHADLP CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](n1c[nH+]cc1-c1cccc(C[NH3+])c1)C2 ZINC001254771588 1040531649 /nfs/dbraw/zinc/53/16/49/1040531649.db2.gz FMLBWNVBVJNGKX-GOSISDBHSA-N 2 2 382.508 3.971 20 0 GHADLP FC(F)(F)c1cccc(C2(C[NH2+][C@H]3CC4CC[NH+](CC4)C3)CCOCC2)c1 ZINC001254845657 1040591073 /nfs/dbraw/zinc/59/10/73/1040591073.db2.gz QQQVFLRBTYJPPS-IBGZPJMESA-N 2 2 382.470 3.828 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH+]3CCC(Oc4cc[nH+]cc4)CC3)C[C@@H]2C1 ZINC001254905505 1040658483 /nfs/dbraw/zinc/65/84/83/1040658483.db2.gz PCDHDNADCJQOTR-PIIMJCKOSA-N 2 2 387.524 3.570 20 0 GHADLP COC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(O)c1 ZINC001255131111 1040825990 /nfs/dbraw/zinc/82/59/90/1040825990.db2.gz YKMDGJVCNBCAHO-CUDBPUKSSA-N 2 2 394.515 3.782 20 0 GHADLP COC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(O)c1 ZINC001255131111 1040826002 /nfs/dbraw/zinc/82/60/02/1040826002.db2.gz YKMDGJVCNBCAHO-CUDBPUKSSA-N 2 2 394.515 3.782 20 0 GHADLP FC(F)(F)c1ncncc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255134362 1040834465 /nfs/dbraw/zinc/83/44/65/1040834465.db2.gz BLOWALPOFHNMQA-BCDXTJNWSA-N 2 2 376.426 3.781 20 0 GHADLP FC(F)(F)c1ncncc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255134362 1040834471 /nfs/dbraw/zinc/83/44/71/1040834471.db2.gz BLOWALPOFHNMQA-BCDXTJNWSA-N 2 2 376.426 3.781 20 0 GHADLP CC(C)(C)OC(=O)N1Cc2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2C1 ZINC001235381914 1040902215 /nfs/dbraw/zinc/90/22/15/1040902215.db2.gz KSKUUENPEPGIGY-UHFFFAOYSA-N 2 2 385.552 3.998 20 0 GHADLP Cc1cc(Br)c(Cl)cc1C[N@@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235404091 1040916418 /nfs/dbraw/zinc/91/64/18/1040916418.db2.gz MIZAVCDPUZZPIW-QWHCGFSZSA-N 2 2 375.713 3.920 20 0 GHADLP Cc1cc(Br)c(Cl)cc1C[N@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235404091 1040916430 /nfs/dbraw/zinc/91/64/30/1040916430.db2.gz MIZAVCDPUZZPIW-QWHCGFSZSA-N 2 2 375.713 3.920 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001255247941 1040924892 /nfs/dbraw/zinc/92/48/92/1040924892.db2.gz HANLGXMGFSHZIU-MANSERQUSA-N 2 2 387.524 3.774 20 0 GHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001255247941 1040924905 /nfs/dbraw/zinc/92/49/05/1040924905.db2.gz HANLGXMGFSHZIU-MANSERQUSA-N 2 2 387.524 3.774 20 0 GHADLP Fc1ccc(CN2CC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255396719 1040983126 /nfs/dbraw/zinc/98/31/26/1040983126.db2.gz ASWFLBLAPIEWBT-DEOSSOPVSA-N 2 2 381.539 3.998 20 0 GHADLP Fc1ccc(CN2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255396719 1040983127 /nfs/dbraw/zinc/98/31/27/1040983127.db2.gz ASWFLBLAPIEWBT-DEOSSOPVSA-N 2 2 381.539 3.998 20 0 GHADLP Clc1ccnc(N2CC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255406958 1040993984 /nfs/dbraw/zinc/99/39/84/1040993984.db2.gz VDDAYQVNMBUSRG-OAQYLSRUSA-N 2 2 384.955 3.912 20 0 GHADLP Clc1ccnc(N2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255406958 1040993985 /nfs/dbraw/zinc/99/39/85/1040993985.db2.gz VDDAYQVNMBUSRG-OAQYLSRUSA-N 2 2 384.955 3.912 20 0 GHADLP Clc1ccc(N2CC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255408436 1040995376 /nfs/dbraw/zinc/99/53/76/1040995376.db2.gz MGXBPLQBMSMKDW-OAQYLSRUSA-N 2 2 384.955 3.912 20 0 GHADLP Clc1ccc(N2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255408436 1040995378 /nfs/dbraw/zinc/99/53/78/1040995378.db2.gz MGXBPLQBMSMKDW-OAQYLSRUSA-N 2 2 384.955 3.912 20 0 GHADLP CCOc1cc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)ccc1F ZINC001235649317 1041092047 /nfs/dbraw/zinc/09/20/47/1041092047.db2.gz NTJJZRHPOZHAKU-UHFFFAOYSA-N 2 2 386.515 3.859 20 0 GHADLP CCOc1cc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)ccc1F ZINC001235649317 1041092063 /nfs/dbraw/zinc/09/20/63/1041092063.db2.gz NTJJZRHPOZHAKU-UHFFFAOYSA-N 2 2 386.515 3.859 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](C3CCC(C(F)(F)F)CC3)CC2)CC1 ZINC001255514873 1041103166 /nfs/dbraw/zinc/10/31/66/1041103166.db2.gz VXRFWZAYNVOCJZ-UHFFFAOYSA-N 2 2 390.490 3.847 20 0 GHADLP CCOc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)ccc1F ZINC001235799836 1041302452 /nfs/dbraw/zinc/30/24/52/1041302452.db2.gz MQUFFFIZPPSWOD-UHFFFAOYSA-N 2 2 388.483 3.684 20 0 GHADLP CCOc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)ccc1F ZINC001235799836 1041302468 /nfs/dbraw/zinc/30/24/68/1041302468.db2.gz MQUFFFIZPPSWOD-UHFFFAOYSA-N 2 2 388.483 3.684 20 0 GHADLP COc1cc(CN2CC[NH2+]C[C@H]2c2ccc(Cl)cc2)ccc1-n1cc[nH+]c1 ZINC001235813062 1041326513 /nfs/dbraw/zinc/32/65/13/1041326513.db2.gz BFFTYIVXZUFLIS-FQEVSTJZSA-N 2 2 382.895 3.681 20 0 GHADLP Cc1cccc(CN2CC[NH+](C3(C)CC[NH2+]CC3)CC2)c1OCc1ccccc1 ZINC001235821555 1041338006 /nfs/dbraw/zinc/33/80/06/1041338006.db2.gz JSFODZSCWKQCRI-UHFFFAOYSA-N 2 2 393.575 3.834 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001255970226 1041449224 /nfs/dbraw/zinc/44/92/24/1041449224.db2.gz ANJRPNXVGXZZQZ-JYJNAYRXSA-N 2 2 395.510 3.884 20 0 GHADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001255970226 1041449226 /nfs/dbraw/zinc/44/92/26/1041449226.db2.gz ANJRPNXVGXZZQZ-JYJNAYRXSA-N 2 2 395.510 3.884 20 0 GHADLP Brc1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)cc1Br ZINC001236009018 1041500397 /nfs/dbraw/zinc/50/03/97/1041500397.db2.gz KMQYHYLZVNUZDL-UHFFFAOYSA-N 2 2 388.147 3.787 20 0 GHADLP Brc1ccc(OC2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256078100 1041513065 /nfs/dbraw/zinc/51/30/65/1041513065.db2.gz USTIYPHRTWUGOF-UHFFFAOYSA-N 2 2 379.342 3.919 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001236043268 1041514002 /nfs/dbraw/zinc/51/40/02/1041514002.db2.gz WDPXQZKNRCYYRQ-UHFFFAOYSA-N 2 2 393.560 3.663 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001236043268 1041514014 /nfs/dbraw/zinc/51/40/14/1041514014.db2.gz WDPXQZKNRCYYRQ-UHFFFAOYSA-N 2 2 393.560 3.663 20 0 GHADLP COc1ccc(C2=NO[C@@H](C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)cc1C ZINC001462548619 1070350272 /nfs/dbraw/zinc/35/02/72/1070350272.db2.gz FESPIMGOUVFPQF-JOCHJYFZSA-N 2 2 393.531 3.751 20 0 GHADLP c1cnn(Cc2c[nH+]c3n2CC[N@H+]([C@H]2CCC[C@H](c4ccccc4)C2)CC3)c1 ZINC001256117395 1041549214 /nfs/dbraw/zinc/54/92/14/1041549214.db2.gz RMLDGSLZHQQACP-SFTDATJTSA-N 2 2 375.520 3.712 20 0 GHADLP c1cnn(Cc2c[nH+]c3n2CC[N@@H+]([C@H]2CCC[C@H](c4ccccc4)C2)CC3)c1 ZINC001256117395 1041549231 /nfs/dbraw/zinc/54/92/31/1041549231.db2.gz RMLDGSLZHQQACP-SFTDATJTSA-N 2 2 375.520 3.712 20 0 GHADLP COc1cccc(C[C@@H](C)[NH2+]CCSCc2csc(C[NH+](C)C)n2)c1 ZINC001256146083 1041582632 /nfs/dbraw/zinc/58/26/32/1041582632.db2.gz SQFXSCBQGSZHDE-OAHLLOKOSA-N 2 2 379.595 3.667 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@H](N(Cc2ccccc2)C2CC2)C1 ZINC001236210368 1041621810 /nfs/dbraw/zinc/62/18/10/1041621810.db2.gz UHFZGGQFPHDTNZ-YYWHXJBOSA-N 2 2 377.523 3.606 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@H](N(Cc2ccccc2)C2CC2)C1 ZINC001236210368 1041621817 /nfs/dbraw/zinc/62/18/17/1041621817.db2.gz UHFZGGQFPHDTNZ-YYWHXJBOSA-N 2 2 377.523 3.606 20 0 GHADLP CCOc1cc(C(=O)OC)ccc1C[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236288274 1041660479 /nfs/dbraw/zinc/66/04/79/1041660479.db2.gz YHWHKKIBTYSLTN-UHFFFAOYSA-N 2 2 382.504 3.626 20 0 GHADLP CCOc1cc(C(=O)OC)ccc1C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236288274 1041660488 /nfs/dbraw/zinc/66/04/88/1041660488.db2.gz YHWHKKIBTYSLTN-UHFFFAOYSA-N 2 2 382.504 3.626 20 0 GHADLP COC(=O)/C=C/c1cc(F)c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(F)c1 ZINC001236376175 1041687783 /nfs/dbraw/zinc/68/77/83/1041687783.db2.gz QBXRLELFKUOEOC-IJDCCNJMSA-N 2 2 392.490 3.895 20 0 GHADLP COC(=O)/C=C/c1cc(F)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(F)c1 ZINC001236376175 1041687786 /nfs/dbraw/zinc/68/77/86/1041687786.db2.gz QBXRLELFKUOEOC-IJDCCNJMSA-N 2 2 392.490 3.895 20 0 GHADLP COc1ccc2n[nH]c(C[N@H+](Cc3ccc(Cl)cc3)C3CC[NH2+]CC3)c2c1 ZINC001236455864 1041720667 /nfs/dbraw/zinc/72/06/67/1041720667.db2.gz XXUUHVPVOGNPKC-UHFFFAOYSA-N 2 2 384.911 3.979 20 0 GHADLP COc1ccc2n[nH]c(C[N@@H+](Cc3ccc(Cl)cc3)C3CC[NH2+]CC3)c2c1 ZINC001236455864 1041720672 /nfs/dbraw/zinc/72/06/72/1041720672.db2.gz XXUUHVPVOGNPKC-UHFFFAOYSA-N 2 2 384.911 3.979 20 0 GHADLP CCOc1cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccc1OC(=O)C(C)C ZINC001236476280 1041732308 /nfs/dbraw/zinc/73/23/08/1041732308.db2.gz XALWNEZQRUWLKU-LJQANCHMSA-N 2 2 376.541 3.857 20 0 GHADLP CCOc1cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccc1OC(=O)C(C)C ZINC001236476280 1041732313 /nfs/dbraw/zinc/73/23/13/1041732313.db2.gz XALWNEZQRUWLKU-LJQANCHMSA-N 2 2 376.541 3.857 20 0 GHADLP CCOC1CCC([N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)CC1 ZINC001256440809 1041733179 /nfs/dbraw/zinc/73/31/79/1041733179.db2.gz HOQQSNCJTPZJGB-CBNMVNINSA-N 2 2 393.522 3.962 20 0 GHADLP CCOC1CCC([N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)CC1 ZINC001256440809 1041733184 /nfs/dbraw/zinc/73/31/84/1041733184.db2.gz HOQQSNCJTPZJGB-CBNMVNINSA-N 2 2 393.522 3.962 20 0 GHADLP CCOC1CCC([NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)CC1 ZINC001256440809 1041733188 /nfs/dbraw/zinc/73/31/88/1041733188.db2.gz HOQQSNCJTPZJGB-CBNMVNINSA-N 2 2 393.522 3.962 20 0 GHADLP CCOC1CCC([NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CC1 ZINC001256440809 1041733192 /nfs/dbraw/zinc/73/31/92/1041733192.db2.gz HOQQSNCJTPZJGB-CBNMVNINSA-N 2 2 393.522 3.962 20 0 GHADLP Cc1cc(F)cc(C[N@H+](Cc2c[nH]c(Br)c2)C2CC[NH2+]CC2)c1 ZINC001236484868 1041735537 /nfs/dbraw/zinc/73/55/37/1041735537.db2.gz XQDWJWDLYPAJFH-UHFFFAOYSA-N 2 2 380.305 3.979 20 0 GHADLP Cc1cc(F)cc(C[N@@H+](Cc2c[nH]c(Br)c2)C2CC[NH2+]CC2)c1 ZINC001236484868 1041735544 /nfs/dbraw/zinc/73/55/44/1041735544.db2.gz XQDWJWDLYPAJFH-UHFFFAOYSA-N 2 2 380.305 3.979 20 0 GHADLP CC(C)Oc1ncccc1CC[N@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236502463 1041742668 /nfs/dbraw/zinc/74/26/68/1041742668.db2.gz TYEYJJZAQONSET-UHFFFAOYSA-N 2 2 389.490 3.944 20 0 GHADLP CC(C)Oc1ncccc1CC[N@@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236502463 1041742673 /nfs/dbraw/zinc/74/26/73/1041742673.db2.gz TYEYJJZAQONSET-UHFFFAOYSA-N 2 2 389.490 3.944 20 0 GHADLP C[C@H]1C[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001256466129 1041746248 /nfs/dbraw/zinc/74/62/48/1041746248.db2.gz XKDBMRGQEYWIIZ-VJANTYMQSA-N 2 2 388.556 3.946 20 0 GHADLP CC(C)c1cc(Br)cc(CN2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC001236622060 1041787951 /nfs/dbraw/zinc/78/79/51/1041787951.db2.gz NKZVOMXCDAGCII-GOSISDBHSA-N 2 2 380.374 3.570 20 0 GHADLP CC[C@@H]1[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC[C@]12CCC(=O)N2C ZINC001236901697 1041947031 /nfs/dbraw/zinc/94/70/31/1041947031.db2.gz AZAPRBIXQLQXCV-FPOVZHCZSA-N 2 2 386.927 3.891 20 0 GHADLP CC[C@@H]1[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC[C@]12CCC(=O)N2C ZINC001236901697 1041947032 /nfs/dbraw/zinc/94/70/32/1041947032.db2.gz AZAPRBIXQLQXCV-FPOVZHCZSA-N 2 2 386.927 3.891 20 0 GHADLP COc1cc(O[C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)ccn1 ZINC001236929085 1041962389 /nfs/dbraw/zinc/96/23/89/1041962389.db2.gz NWNBKUMSXROUPJ-SFHVURJKSA-N 2 2 384.867 3.583 20 0 GHADLP COc1cc(O[C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)ccn1 ZINC001236929085 1041962392 /nfs/dbraw/zinc/96/23/92/1041962392.db2.gz NWNBKUMSXROUPJ-SFHVURJKSA-N 2 2 384.867 3.583 20 0 GHADLP CCOc1ncc(Br)cc1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236962741 1041971239 /nfs/dbraw/zinc/97/12/39/1041971239.db2.gz QMWGSLFCQXNXPB-UHFFFAOYSA-N 2 2 396.373 3.845 20 0 GHADLP CCOC(=O)C1CCN(c2ccccc2C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001237154749 1042067713 /nfs/dbraw/zinc/06/77/13/1042067713.db2.gz FSKHVCICUNPDTM-JOCHJYFZSA-N 2 2 399.579 3.573 20 0 GHADLP CCOC(=O)C1CCN(c2ccccc2C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001237154749 1042067714 /nfs/dbraw/zinc/06/77/14/1042067714.db2.gz FSKHVCICUNPDTM-JOCHJYFZSA-N 2 2 399.579 3.573 20 0 GHADLP COc1ccc(Cn2cc(C[NH+]3CCC4(CC3)[NH2+]Cc3ccccc34)cn2)cc1 ZINC001237376150 1042178298 /nfs/dbraw/zinc/17/82/98/1042178298.db2.gz QJNXFAOEZGMGTP-UHFFFAOYSA-N 2 2 388.515 3.535 20 0 GHADLP C[NH+]1CCC([N@H+](Cc2cnc(NC(=O)OC(C)(C)C)cn2)C2CCCC2)CC1 ZINC001237433649 1042206521 /nfs/dbraw/zinc/20/65/21/1042206521.db2.gz AKDGBKJXRRVTQX-UHFFFAOYSA-N 2 2 389.544 3.662 20 0 GHADLP C[NH+]1CCC([N@@H+](Cc2cnc(NC(=O)OC(C)(C)C)cn2)C2CCCC2)CC1 ZINC001237433649 1042206527 /nfs/dbraw/zinc/20/65/27/1042206527.db2.gz AKDGBKJXRRVTQX-UHFFFAOYSA-N 2 2 389.544 3.662 20 0 GHADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001238203248 1042518517 /nfs/dbraw/zinc/51/85/17/1042518517.db2.gz AEABKHHWTUVZPY-BGYRXZFFSA-N 2 2 385.552 3.758 20 0 GHADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001238203248 1042518523 /nfs/dbraw/zinc/51/85/23/1042518523.db2.gz AEABKHHWTUVZPY-BGYRXZFFSA-N 2 2 385.552 3.758 20 0 GHADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001238203248 1042518526 /nfs/dbraw/zinc/51/85/26/1042518526.db2.gz AEABKHHWTUVZPY-BGYRXZFFSA-N 2 2 385.552 3.758 20 0 GHADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001238203248 1042518531 /nfs/dbraw/zinc/51/85/31/1042518531.db2.gz AEABKHHWTUVZPY-BGYRXZFFSA-N 2 2 385.552 3.758 20 0 GHADLP Cc1cc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)ncc1Cl ZINC001238418931 1042589159 /nfs/dbraw/zinc/58/91/59/1042589159.db2.gz FFMAMIHEEVQEAJ-SFHVURJKSA-N 2 2 389.927 3.892 20 0 GHADLP Cc1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)ncc1Cl ZINC001238418931 1042589161 /nfs/dbraw/zinc/58/91/61/1042589161.db2.gz FFMAMIHEEVQEAJ-SFHVURJKSA-N 2 2 389.927 3.892 20 0 GHADLP CC(C)Oc1cc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)ccc1F ZINC001238459204 1042602293 /nfs/dbraw/zinc/60/22/93/1042602293.db2.gz VMMJNGXOYBQKEQ-NFBKMPQASA-N 2 2 390.543 3.793 20 0 GHADLP CC(C)Oc1cc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)ccc1F ZINC001238459204 1042602298 /nfs/dbraw/zinc/60/22/98/1042602298.db2.gz VMMJNGXOYBQKEQ-NFBKMPQASA-N 2 2 390.543 3.793 20 0 GHADLP CC(C)Oc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)ccc1F ZINC001238459204 1042602301 /nfs/dbraw/zinc/60/23/01/1042602301.db2.gz VMMJNGXOYBQKEQ-NFBKMPQASA-N 2 2 390.543 3.793 20 0 GHADLP CC(C)Oc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)ccc1F ZINC001238459204 1042602305 /nfs/dbraw/zinc/60/23/05/1042602305.db2.gz VMMJNGXOYBQKEQ-NFBKMPQASA-N 2 2 390.543 3.793 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(OC(C)C)ccc3C)CC2)C1 ZINC001238482405 1042613428 /nfs/dbraw/zinc/61/34/28/1042613428.db2.gz YBZRHURYBPVOAJ-IBGZPJMESA-N 2 2 388.552 3.632 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc(OC(C)C)ccc3C)CC2)C1 ZINC001238482405 1042613429 /nfs/dbraw/zinc/61/34/29/1042613429.db2.gz YBZRHURYBPVOAJ-IBGZPJMESA-N 2 2 388.552 3.632 20 0 GHADLP COc1cc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c(-c2ccccc2)cn1 ZINC001238605230 1042656004 /nfs/dbraw/zinc/65/60/04/1042656004.db2.gz SWMNMBXPLRLJLY-UHFFFAOYSA-N 2 2 395.547 3.832 20 0 GHADLP COc1cc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c(-c2ccccc2)cn1 ZINC001238605230 1042656005 /nfs/dbraw/zinc/65/60/05/1042656005.db2.gz SWMNMBXPLRLJLY-UHFFFAOYSA-N 2 2 395.547 3.832 20 0 GHADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cnc1C1CC1 ZINC001238621327 1042661969 /nfs/dbraw/zinc/66/19/69/1042661969.db2.gz IOXVSLQWWNLDSQ-VJBWXMMDSA-N 2 2 393.579 3.837 20 0 GHADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cnc1C1CC1 ZINC001238621327 1042661971 /nfs/dbraw/zinc/66/19/71/1042661971.db2.gz IOXVSLQWWNLDSQ-VJBWXMMDSA-N 2 2 393.579 3.837 20 0 GHADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cnc1C1CC1 ZINC001238621327 1042661973 /nfs/dbraw/zinc/66/19/73/1042661973.db2.gz IOXVSLQWWNLDSQ-VJBWXMMDSA-N 2 2 393.579 3.837 20 0 GHADLP Cc1cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cnc1C1CC1 ZINC001238621327 1042661975 /nfs/dbraw/zinc/66/19/75/1042661975.db2.gz IOXVSLQWWNLDSQ-VJBWXMMDSA-N 2 2 393.579 3.837 20 0 GHADLP CC1CCN(C(=O)c2ccc(-c3cccc(C[N@@H+]4CC[C@@H]([NH3+])C4)c3)cc2)CC1 ZINC001240043468 1042874946 /nfs/dbraw/zinc/87/49/46/1042874946.db2.gz BNKYDILCGTXXIP-HSZRJFAPSA-N 2 2 377.532 3.759 20 0 GHADLP CC1CCN(C(=O)c2ccc(-c3cccc(C[N@H+]4CC[C@@H]([NH3+])C4)c3)cc2)CC1 ZINC001240043468 1042874949 /nfs/dbraw/zinc/87/49/49/1042874949.db2.gz BNKYDILCGTXXIP-HSZRJFAPSA-N 2 2 377.532 3.759 20 0 GHADLP Cc1sc2nc(C[NH+](C)C)nc(-c3ccc(C[NH+]4CCOCC4)cc3)c2c1C ZINC001240474654 1042934048 /nfs/dbraw/zinc/93/40/48/1042934048.db2.gz LFQBRKHZVJKCJW-UHFFFAOYSA-N 2 2 396.560 3.869 20 0 GHADLP CCOC(=O)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccnc1 ZINC001256532291 1043467070 /nfs/dbraw/zinc/46/70/70/1043467070.db2.gz XJUWSORZCYVNOK-COPCDDAFSA-N 2 2 381.520 3.719 20 0 GHADLP CCOC(=O)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccnc1 ZINC001256532291 1043467077 /nfs/dbraw/zinc/46/70/77/1043467077.db2.gz XJUWSORZCYVNOK-COPCDDAFSA-N 2 2 381.520 3.719 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256536812 1043480553 /nfs/dbraw/zinc/48/05/53/1043480553.db2.gz GBTJNTFXCBCBMD-YJMBLLCNSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001256536812 1043480560 /nfs/dbraw/zinc/48/05/60/1043480560.db2.gz GBTJNTFXCBCBMD-YJMBLLCNSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC[NH+]1Cc1ccccc1 ZINC001256536812 1043480566 /nfs/dbraw/zinc/48/05/66/1043480566.db2.gz GBTJNTFXCBCBMD-YJMBLLCNSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC[NH+]1Cc1ccccc1 ZINC001256536812 1043480575 /nfs/dbraw/zinc/48/05/75/1043480575.db2.gz GBTJNTFXCBCBMD-YJMBLLCNSA-N 2 2 399.579 3.981 20 0 GHADLP COC[C@@H]1COCCC12CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256546440 1043506167 /nfs/dbraw/zinc/50/61/67/1043506167.db2.gz LOICNEDQBLVKGX-YMPZKCBVSA-N 2 2 386.580 3.805 20 0 GHADLP COC[C@@H]1COCCC12CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256546440 1043506189 /nfs/dbraw/zinc/50/61/89/1043506189.db2.gz LOICNEDQBLVKGX-YMPZKCBVSA-N 2 2 386.580 3.805 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555689 1043525137 /nfs/dbraw/zinc/52/51/37/1043525137.db2.gz VPEXPSAKWFJJPN-HLAWJBBLSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256555689 1043525143 /nfs/dbraw/zinc/52/51/43/1043525143.db2.gz VPEXPSAKWFJJPN-HLAWJBBLSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256555689 1043525150 /nfs/dbraw/zinc/52/51/50/1043525150.db2.gz VPEXPSAKWFJJPN-HLAWJBBLSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256555689 1043525163 /nfs/dbraw/zinc/52/51/63/1043525163.db2.gz VPEXPSAKWFJJPN-HLAWJBBLSA-N 2 2 387.568 3.981 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256556932 1043528463 /nfs/dbraw/zinc/52/84/63/1043528463.db2.gz JFWWVEVDFXPQJX-CEMLEFRQSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256556932 1043528468 /nfs/dbraw/zinc/52/84/68/1043528468.db2.gz JFWWVEVDFXPQJX-CEMLEFRQSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256556932 1043528476 /nfs/dbraw/zinc/52/84/76/1043528476.db2.gz JFWWVEVDFXPQJX-CEMLEFRQSA-N 2 2 380.536 3.681 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256556932 1043528487 /nfs/dbraw/zinc/52/84/87/1043528487.db2.gz JFWWVEVDFXPQJX-CEMLEFRQSA-N 2 2 380.536 3.681 20 0 GHADLP OC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(Br)c1 ZINC001256600259 1043563101 /nfs/dbraw/zinc/56/31/01/1043563101.db2.gz OVKIWVSTFRYWDH-FQEVSTJZSA-N 2 2 389.337 3.737 20 0 GHADLP COc1nc(Br)ccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001256601362 1043564274 /nfs/dbraw/zinc/56/42/74/1043564274.db2.gz UHYHZESNJDGXQG-UHFFFAOYSA-N 2 2 390.325 3.607 20 0 GHADLP [NH3+]C1(Cc2cccc(F)c2)CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256602525 1043565944 /nfs/dbraw/zinc/56/59/44/1043565944.db2.gz ZKEURWMBXLDUNO-UHFFFAOYSA-N 3 2 381.539 3.826 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](Cc2ccccc2)CC1 ZINC001256605776 1043569235 /nfs/dbraw/zinc/56/92/35/1043569235.db2.gz LQIAEIXDLVJBLM-OYRHEFFESA-N 2 2 385.552 3.735 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](Cc2ccccc2)CC1 ZINC001256605776 1043569247 /nfs/dbraw/zinc/56/92/47/1043569247.db2.gz LQIAEIXDLVJBLM-OYRHEFFESA-N 2 2 385.552 3.735 20 0 GHADLP Clc1cc(OC2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)ncn1 ZINC001256610269 1043573551 /nfs/dbraw/zinc/57/35/51/1043573551.db2.gz AXZUIGZIVMVIMA-UHFFFAOYSA-N 2 2 386.927 3.638 20 0 GHADLP COc1cccc2c1CC[C@@H]([N@@H+]1CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]1C)C2 ZINC001256651435 1043595753 /nfs/dbraw/zinc/59/57/53/1043595753.db2.gz MJTLBBMPFKQTEY-PKOBYXMFSA-N 2 2 382.552 3.666 20 0 GHADLP COc1cccc2c1CC[C@@H]([N@H+]1CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]1C)C2 ZINC001256651435 1043595759 /nfs/dbraw/zinc/59/57/59/1043595759.db2.gz MJTLBBMPFKQTEY-PKOBYXMFSA-N 2 2 382.552 3.666 20 0 GHADLP COc1cccc2c1CC[C@@H]([NH+]1CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]1C)C2 ZINC001256651435 1043595768 /nfs/dbraw/zinc/59/57/68/1043595768.db2.gz MJTLBBMPFKQTEY-PKOBYXMFSA-N 2 2 382.552 3.666 20 0 GHADLP COc1cccc2c1CC[C@@H]([NH+]1CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]1C)C2 ZINC001256651435 1043595778 /nfs/dbraw/zinc/59/57/78/1043595778.db2.gz MJTLBBMPFKQTEY-PKOBYXMFSA-N 2 2 382.552 3.666 20 0 GHADLP FC(F)(F)c1cccnc1N1CCC(n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CC1 ZINC001256893410 1043726373 /nfs/dbraw/zinc/72/63/73/1043726373.db2.gz WKVXTFSAEVEREK-AWEZNQCLSA-N 2 2 379.430 3.605 20 0 GHADLP C[C@@H]1CC([N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)C[C@@H](C)O1 ZINC001257092620 1043839841 /nfs/dbraw/zinc/83/98/41/1043839841.db2.gz GBAFUUZVOLJSAJ-MBOZVWFJSA-N 2 2 379.495 3.571 20 0 GHADLP C[C@@H]1CC([N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)C[C@@H](C)O1 ZINC001257092620 1043839854 /nfs/dbraw/zinc/83/98/54/1043839854.db2.gz GBAFUUZVOLJSAJ-MBOZVWFJSA-N 2 2 379.495 3.571 20 0 GHADLP C[C@@H]1CC([NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)C[C@@H](C)O1 ZINC001257092620 1043839870 /nfs/dbraw/zinc/83/98/70/1043839870.db2.gz GBAFUUZVOLJSAJ-MBOZVWFJSA-N 2 2 379.495 3.571 20 0 GHADLP C[C@@H]1CC([NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)C[C@@H](C)O1 ZINC001257092620 1043839887 /nfs/dbraw/zinc/83/98/87/1043839887.db2.gz GBAFUUZVOLJSAJ-MBOZVWFJSA-N 2 2 379.495 3.571 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)C[C@H](C)O1 ZINC001257092621 1043840538 /nfs/dbraw/zinc/84/05/38/1043840538.db2.gz GBAFUUZVOLJSAJ-PIKOESSRSA-N 2 2 379.495 3.571 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)C[C@H](C)O1 ZINC001257092621 1043840551 /nfs/dbraw/zinc/84/05/51/1043840551.db2.gz GBAFUUZVOLJSAJ-PIKOESSRSA-N 2 2 379.495 3.571 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)C[C@H](C)O1 ZINC001257092621 1043840569 /nfs/dbraw/zinc/84/05/69/1043840569.db2.gz GBAFUUZVOLJSAJ-PIKOESSRSA-N 2 2 379.495 3.571 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)C[C@H](C)O1 ZINC001257092621 1043840582 /nfs/dbraw/zinc/84/05/82/1043840582.db2.gz GBAFUUZVOLJSAJ-PIKOESSRSA-N 2 2 379.495 3.571 20 0 GHADLP Cc1[nH+]cn([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C2)c1CSCC[NH3+] ZINC001257173187 1043916511 /nfs/dbraw/zinc/91/65/11/1043916511.db2.gz DNIGTXOJFKRNQK-IRXDYDNUSA-N 2 2 396.601 3.980 20 0 GHADLP CC(C)[NH+]1CCC([NH2+]Cc2cncn2Cc2ccc(Br)cc2)CC1 ZINC001257212051 1043938775 /nfs/dbraw/zinc/93/87/75/1043938775.db2.gz OKFFJAKHFZLIGT-UHFFFAOYSA-N 2 2 391.357 3.656 20 0 GHADLP COc1cccc([C@@H](CNC(=O)OC(C)(C)C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC001257213536 1043938996 /nfs/dbraw/zinc/93/89/96/1043938996.db2.gz PQRJAAUMRLLVNI-HXUWFJFHSA-N 2 2 391.556 3.723 20 0 GHADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)CC1 ZINC001257217639 1043939823 /nfs/dbraw/zinc/93/98/23/1043939823.db2.gz VDZJFAWYSUISNW-QHCPKHFHSA-N 2 2 387.543 3.513 20 0 GHADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)CC1 ZINC001257217639 1043939824 /nfs/dbraw/zinc/93/98/24/1043939824.db2.gz VDZJFAWYSUISNW-QHCPKHFHSA-N 2 2 387.543 3.513 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C[C@H]1Cc1ccccc1 ZINC001257971894 1044292474 /nfs/dbraw/zinc/29/24/74/1044292474.db2.gz WRJUJDHWLHZOJJ-NHCUHLMSSA-N 2 2 398.551 3.874 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC[NH+]2CCCC2)C[C@@H]1Cc1ccccc1 ZINC001257972107 1044292662 /nfs/dbraw/zinc/29/26/62/1044292662.db2.gz WTEMSOMOMUJADJ-RTWAWAEBSA-N 2 2 387.568 3.683 20 0 GHADLP Cn1cc[nH+]c1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257988188 1044316678 /nfs/dbraw/zinc/31/66/78/1044316678.db2.gz JZJUTKMPLMRQEQ-PMACEKPBSA-N 2 2 398.551 3.563 20 0 GHADLP CC(C)C[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001258018090 1044344437 /nfs/dbraw/zinc/34/44/37/1044344437.db2.gz UMQPAXXFLVJOBR-UHFFFAOYSA-N 2 2 377.960 3.608 20 0 GHADLP CC(C)C[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001258018090 1044344443 /nfs/dbraw/zinc/34/44/43/1044344443.db2.gz UMQPAXXFLVJOBR-UHFFFAOYSA-N 2 2 377.960 3.608 20 0 GHADLP CCOC(=O)CC1CCC([NH2+]C2CC[NH+](Cc3ccc(OC)cc3)CC2)CC1 ZINC001258023838 1044349464 /nfs/dbraw/zinc/34/94/64/1044349464.db2.gz JIXBQNDAOTVFTH-UHFFFAOYSA-N 2 2 388.552 3.761 20 0 GHADLP COc1ccccc1C[N@@H+]1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258138045 1044424227 /nfs/dbraw/zinc/42/42/27/1044424227.db2.gz QIIUIQOOQOYKKJ-DEOSSOPVSA-N 2 2 393.575 3.566 20 0 GHADLP COc1ccccc1C[N@H+]1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258138045 1044424242 /nfs/dbraw/zinc/42/42/42/1044424242.db2.gz QIIUIQOOQOYKKJ-DEOSSOPVSA-N 2 2 393.575 3.566 20 0 GHADLP Clc1ccccc1N1CCC([NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001258543134 1044619328 /nfs/dbraw/zinc/61/93/28/1044619328.db2.gz MEEINWPCCYHYAS-RTBURBONSA-N 2 2 396.966 3.768 20 0 GHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258589087 1044661519 /nfs/dbraw/zinc/66/15/19/1044661519.db2.gz ARPVEIIWFCYOPO-QFIPXVFZSA-N 2 2 388.515 3.885 20 0 GHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258589087 1044661527 /nfs/dbraw/zinc/66/15/27/1044661527.db2.gz ARPVEIIWFCYOPO-QFIPXVFZSA-N 2 2 388.515 3.885 20 0 GHADLP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3OC)CC2)c1 ZINC001258896552 1044853370 /nfs/dbraw/zinc/85/33/70/1044853370.db2.gz QLXQXYALLITSDG-GOSISDBHSA-N 2 2 396.531 3.667 20 0 GHADLP COC(=O)/C=C\c1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)o1 ZINC000848912039 1045181541 /nfs/dbraw/zinc/18/15/41/1045181541.db2.gz MZGYFGJVHIPCJG-NBOBXGGBSA-N 2 2 377.444 3.681 20 0 GHADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000668171312 1047497518 /nfs/dbraw/zinc/49/75/18/1047497518.db2.gz JWKCJMIKCHBLBR-AEFFLSMTSA-N 2 2 375.398 3.654 20 0 GHADLP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(F)c(F)cc1Cl)CC2 ZINC001279249216 1047748148 /nfs/dbraw/zinc/74/81/48/1047748148.db2.gz MYORILPUXVGQDR-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1cc(F)c(F)cc1Cl)CC2 ZINC001279249216 1047748151 /nfs/dbraw/zinc/74/81/51/1047748151.db2.gz MYORILPUXVGQDR-UHFFFAOYSA-N 2 2 388.886 3.527 20 0 GHADLP Fc1cc(F)c(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c(Cl)c1 ZINC001279469837 1047817742 /nfs/dbraw/zinc/81/77/42/1047817742.db2.gz UDPNAIAZJYONHG-UHFFFAOYSA-N 2 2 380.870 3.829 20 0 GHADLP Fc1cc(F)c(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c(Cl)c1 ZINC001279469837 1047817748 /nfs/dbraw/zinc/81/77/48/1047817748.db2.gz UDPNAIAZJYONHG-UHFFFAOYSA-N 2 2 380.870 3.829 20 0 GHADLP Fc1ccc(Cl)c(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1Cl ZINC001279662860 1047904084 /nfs/dbraw/zinc/90/40/84/1047904084.db2.gz VQIOGFKYMISVAB-UHFFFAOYSA-N 2 2 383.298 3.954 20 0 GHADLP Oc1cnc(Cl)cc1C[NH+]1CCC2(C[NH+](CCCC(F)(F)F)C2)CC1 ZINC001279684889 1047913829 /nfs/dbraw/zinc/91/38/29/1047913829.db2.gz OAIXMNRDKDXXCK-UHFFFAOYSA-N 2 2 377.838 3.681 20 0 GHADLP CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c(Cl)n1 ZINC001280184124 1048121375 /nfs/dbraw/zinc/12/13/75/1048121375.db2.gz IDHCZYKHFSCNQQ-OAQYLSRUSA-N 2 2 378.992 3.708 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[NH2+][C@H](c5ccccc5)C4)[C@H]3C2)cc1 ZINC000643480380 1048233205 /nfs/dbraw/zinc/23/32/05/1048233205.db2.gz DBSFKAIKTPJATR-YCXOGWGTSA-N 3 2 375.560 3.980 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[NH2+][C@H](c5ccccc5)C4)[C@H]3C2)cc1 ZINC000643480380 1048233210 /nfs/dbraw/zinc/23/32/10/1048233210.db2.gz DBSFKAIKTPJATR-YCXOGWGTSA-N 3 2 375.560 3.980 20 0 GHADLP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)C2=O)cc1 ZINC001307707457 1049523292 /nfs/dbraw/zinc/52/32/92/1049523292.db2.gz PIYTVKWHQIDVKF-QDSKXPNFSA-N 2 2 391.559 3.991 20 0 GHADLP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)C2=O)cc1 ZINC001307707457 1049523309 /nfs/dbraw/zinc/52/33/09/1049523309.db2.gz PIYTVKWHQIDVKF-QDSKXPNFSA-N 2 2 391.559 3.991 20 0 GHADLP O[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC001308034408 1049784756 /nfs/dbraw/zinc/78/47/56/1049784756.db2.gz PIFYEJQEAHKPHO-MOPGFXCFSA-N 2 2 375.394 3.966 20 0 GHADLP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cc(F)c(Cl)cc1Cl ZINC001308182696 1049904305 /nfs/dbraw/zinc/90/43/05/1049904305.db2.gz SMCYZAAHELPBCJ-GFCCVEGCSA-N 2 2 398.313 3.525 20 0 GHADLP Cn1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(-c2cc(F)ccc2F)n1 ZINC001308220499 1049917216 /nfs/dbraw/zinc/91/72/16/1049917216.db2.gz BLFNJJAKJVZIKQ-UHFFFAOYSA-N 2 2 397.404 3.980 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCC(C)(C)C[N@H+](C)Cc3ccccc3)[nH+]c2)C1 ZINC001308337509 1049952100 /nfs/dbraw/zinc/95/21/00/1049952100.db2.gz KWWKERSGDDWWJE-JOCHJYFZSA-N 3 2 395.595 3.792 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCC(C)(C)C[N@@H+](C)Cc3ccccc3)[nH+]c2)C1 ZINC001308337509 1049952106 /nfs/dbraw/zinc/95/21/06/1049952106.db2.gz KWWKERSGDDWWJE-JOCHJYFZSA-N 3 2 395.595 3.792 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cc(Br)cs3)[nH+]c2)C1 ZINC001308337523 1049952367 /nfs/dbraw/zinc/95/23/67/1049952367.db2.gz LQUJDRYAGZHMEB-CQSZACIVSA-N 2 2 381.343 3.658 20 0 GHADLP Clc1cccc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001308581014 1050018224 /nfs/dbraw/zinc/01/82/24/1050018224.db2.gz DHOZHVABMAYUBP-OAQYLSRUSA-N 2 2 398.982 3.812 20 0 GHADLP Clc1cccc(CC[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001308581014 1050018228 /nfs/dbraw/zinc/01/82/28/1050018228.db2.gz DHOZHVABMAYUBP-OAQYLSRUSA-N 2 2 398.982 3.812 20 0 GHADLP Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001308598386 1050026852 /nfs/dbraw/zinc/02/68/52/1050026852.db2.gz OUAGNAQJILBYHZ-OFNKIYASSA-N 2 2 381.568 3.890 20 0 GHADLP Cn1cnnc1[C@H]1CCC[N@H+]1C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001308598386 1050026855 /nfs/dbraw/zinc/02/68/55/1050026855.db2.gz OUAGNAQJILBYHZ-OFNKIYASSA-N 2 2 381.568 3.890 20 0 GHADLP Cn1cnnc1[C@H]1CCC[NH+]1C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001308598386 1050026861 /nfs/dbraw/zinc/02/68/61/1050026861.db2.gz OUAGNAQJILBYHZ-OFNKIYASSA-N 2 2 381.568 3.890 20 0 GHADLP Cn1cnnc1[C@H]1CCC[NH+]1C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001308598386 1050026867 /nfs/dbraw/zinc/02/68/67/1050026867.db2.gz OUAGNAQJILBYHZ-OFNKIYASSA-N 2 2 381.568 3.890 20 0 GHADLP CCc1cccc(F)c1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001308757768 1050084162 /nfs/dbraw/zinc/08/41/62/1050084162.db2.gz LWMSYTQTDLIYNV-JOCHJYFZSA-N 2 2 381.539 3.780 20 0 GHADLP CCc1cccc(F)c1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001308757768 1050084165 /nfs/dbraw/zinc/08/41/65/1050084165.db2.gz LWMSYTQTDLIYNV-JOCHJYFZSA-N 2 2 381.539 3.780 20 0 GHADLP CC[C@@H]1[C@@H](C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)CCN1C(=O)OC(C)(C)C ZINC001330127180 1050962164 /nfs/dbraw/zinc/96/21/64/1050962164.db2.gz KWTNDIYYVPNTRX-DOTOQJQBSA-N 2 2 399.495 3.550 20 0 GHADLP Cc1cc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)ccc1Oc1cccnc1 ZINC001332026960 1051441640 /nfs/dbraw/zinc/44/16/40/1051441640.db2.gz XZJUSMQPSKHDQI-UHFFFAOYSA-N 2 2 381.520 3.915 20 0 GHADLP CN(CC(C)(C)C[NH+](C)C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001310682987 1051530328 /nfs/dbraw/zinc/53/03/28/1051530328.db2.gz JSWDXQPJAGXATL-UHFFFAOYSA-N 2 2 383.540 3.938 20 0 GHADLP Cn1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(-c2cc(F)ccc2F)n1 ZINC001336742991 1052319774 /nfs/dbraw/zinc/31/97/74/1052319774.db2.gz VHHJYNQDANIENM-HNNXBMFYSA-N 2 2 385.462 3.554 20 0 GHADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001312013315 1052528336 /nfs/dbraw/zinc/52/83/36/1052528336.db2.gz TYFWTOBUNCQWNU-PKTZIBPZSA-N 2 2 392.547 3.700 20 0 GHADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001312013315 1052528339 /nfs/dbraw/zinc/52/83/39/1052528339.db2.gz TYFWTOBUNCQWNU-PKTZIBPZSA-N 2 2 392.547 3.700 20 0 GHADLP C[C@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC001312659221 1052828995 /nfs/dbraw/zinc/82/89/95/1052828995.db2.gz JBXGNRRLYWYWGP-YUXAGFNASA-N 2 2 391.519 3.615 20 0 GHADLP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)[C@H]1CCCC[NH+]1Cc1cccnc1 ZINC001318717445 1054819574 /nfs/dbraw/zinc/81/95/74/1054819574.db2.gz NZSUXCUMSYPDDH-DHIUTWEWSA-N 2 2 398.595 3.597 20 0 GHADLP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CCCC[NH+]1Cc1cccnc1 ZINC001318717445 1054819590 /nfs/dbraw/zinc/81/95/90/1054819590.db2.gz NZSUXCUMSYPDDH-DHIUTWEWSA-N 2 2 398.595 3.597 20 0 GHADLP O=C(NC[C@H]1CCC[NH+]1CC1CCCCC1)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001318717445 1054819606 /nfs/dbraw/zinc/81/96/06/1054819606.db2.gz NZSUXCUMSYPDDH-DHIUTWEWSA-N 2 2 398.595 3.597 20 0 GHADLP O=C(NC[C@H]1CCC[NH+]1CC1CCCCC1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001318717445 1054819617 /nfs/dbraw/zinc/81/96/17/1054819617.db2.gz NZSUXCUMSYPDDH-DHIUTWEWSA-N 2 2 398.595 3.597 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001319533052 1055311416 /nfs/dbraw/zinc/31/14/16/1055311416.db2.gz SZMJOCDKPYYGCT-INIZCTEOSA-N 2 2 399.495 3.694 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1csc(Cc2ccccc2)n1 ZINC001321817835 1056408794 /nfs/dbraw/zinc/40/87/94/1056408794.db2.gz BDHCEMOEWDRHDZ-UHFFFAOYSA-N 2 2 389.484 3.804 20 0 GHADLP COC[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC001322702571 1056808443 /nfs/dbraw/zinc/80/84/43/1056808443.db2.gz KCZINDQJTPMMOM-IBGZPJMESA-N 2 2 391.918 3.708 20 0 GHADLP CCc1nc2ccc(Cl)cn2c1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001324086300 1057067466 /nfs/dbraw/zinc/06/74/66/1057067466.db2.gz CZWSMHVLSVERLR-UHFFFAOYSA-N 2 2 380.839 3.692 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC001324265820 1057100649 /nfs/dbraw/zinc/10/06/49/1057100649.db2.gz ILMXGXOVQAJQFR-UHFFFAOYSA-N 2 2 376.338 3.656 20 0 GHADLP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848527058 1057150150 /nfs/dbraw/zinc/15/01/50/1057150150.db2.gz QJAHWTPFYWYHEB-OAQYLSRUSA-N 2 2 382.552 3.531 20 0 GHADLP CN(C(=O)/C=C\c1cc(Cl)cc(Cl)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001338921480 1058883026 /nfs/dbraw/zinc/88/30/26/1058883026.db2.gz CIKQTMOGZJPTSB-LLHWWHOWSA-N 2 2 396.362 3.634 20 0 GHADLP CN(C(=O)/C=C\c1cc(Cl)cc(Cl)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001338921480 1058883052 /nfs/dbraw/zinc/88/30/52/1058883052.db2.gz CIKQTMOGZJPTSB-LLHWWHOWSA-N 2 2 396.362 3.634 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)n2)C1 ZINC001442022796 1058904936 /nfs/dbraw/zinc/90/49/36/1058904936.db2.gz UENXHBMBJGVIFU-DBVUQKKJSA-N 2 2 398.576 3.659 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)n2)C1 ZINC001442022796 1058904943 /nfs/dbraw/zinc/90/49/43/1058904943.db2.gz UENXHBMBJGVIFU-DBVUQKKJSA-N 2 2 398.576 3.659 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)n2)C1 ZINC001442022796 1058904950 /nfs/dbraw/zinc/90/49/50/1058904950.db2.gz UENXHBMBJGVIFU-DBVUQKKJSA-N 2 2 398.576 3.659 20 0 GHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)n2)C1 ZINC001442022796 1058904952 /nfs/dbraw/zinc/90/49/52/1058904952.db2.gz UENXHBMBJGVIFU-DBVUQKKJSA-N 2 2 398.576 3.659 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC001442658178 1058989142 /nfs/dbraw/zinc/98/91/42/1058989142.db2.gz HPVCCEODJKRMFG-JSJNYSNDSA-N 2 2 377.960 3.807 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC001442658178 1058989147 /nfs/dbraw/zinc/98/91/47/1058989147.db2.gz HPVCCEODJKRMFG-JSJNYSNDSA-N 2 2 377.960 3.807 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCCc3ccc(Cl)cc3)CC2)CC1 ZINC001442670794 1058992783 /nfs/dbraw/zinc/99/27/83/1058992783.db2.gz YNGKXDFLSNJKOG-UHFFFAOYSA-N 2 2 391.987 3.728 20 0 GHADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001446804504 1059864345 /nfs/dbraw/zinc/86/43/45/1059864345.db2.gz YBCFATGICUABTC-SFHVURJKSA-N 2 2 398.378 3.947 20 0 GHADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001446804504 1059864366 /nfs/dbraw/zinc/86/43/66/1059864366.db2.gz YBCFATGICUABTC-SFHVURJKSA-N 2 2 398.378 3.947 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC001342193483 1061120628 /nfs/dbraw/zinc/12/06/28/1061120628.db2.gz OCINYTZZEMJOJY-UHFFFAOYSA-N 2 2 385.855 3.911 20 0 GHADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(Br)c1 ZINC001346016615 1061291771 /nfs/dbraw/zinc/29/17/71/1061291771.db2.gz DNRYNNVGBIODTL-OAHLLOKOSA-N 2 2 394.357 3.550 20 0 GHADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(Br)c1 ZINC001346016615 1061291791 /nfs/dbraw/zinc/29/17/91/1061291791.db2.gz DNRYNNVGBIODTL-OAHLLOKOSA-N 2 2 394.357 3.550 20 0 GHADLP Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)cs1 ZINC001346113838 1061374262 /nfs/dbraw/zinc/37/42/62/1061374262.db2.gz QAJSARJZCNLGTF-IBGZPJMESA-N 2 2 398.576 3.505 20 0 GHADLP CC(C)(CNC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001348763933 1063313316 /nfs/dbraw/zinc/31/33/16/1063313316.db2.gz XSOZEYMUQYCQQQ-SFHVURJKSA-N 2 2 389.588 3.649 20 0 GHADLP C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCCN(c2ccccc2)C1 ZINC001459616594 1064145176 /nfs/dbraw/zinc/14/51/76/1064145176.db2.gz VIWYYRFOINJNBV-LOSJGSFVSA-N 2 2 393.575 3.878 20 0 GHADLP C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCCN(c2ccccc2)C1 ZINC001459616594 1064145186 /nfs/dbraw/zinc/14/51/86/1064145186.db2.gz VIWYYRFOINJNBV-LOSJGSFVSA-N 2 2 393.575 3.878 20 0 GHADLP C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCCN(c2ccccc2)C1 ZINC001459616594 1064145191 /nfs/dbraw/zinc/14/51/91/1064145191.db2.gz VIWYYRFOINJNBV-LOSJGSFVSA-N 2 2 393.575 3.878 20 0 GHADLP C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCCN(c2ccccc2)C1 ZINC001459616594 1064145193 /nfs/dbraw/zinc/14/51/93/1064145193.db2.gz VIWYYRFOINJNBV-LOSJGSFVSA-N 2 2 393.575 3.878 20 0 GHADLP COc1ccccc1[C@H](CO)[NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001459803381 1064224106 /nfs/dbraw/zinc/22/41/06/1064224106.db2.gz FPOCSNMDGJPFLK-QHCPKHFHSA-N 2 2 382.548 3.663 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(C[NH+]3CCCC3)o2)C[C@H](C)O1 ZINC001464268532 1064933826 /nfs/dbraw/zinc/93/38/26/1064933826.db2.gz IPORLVYTGOZPEA-ROUUACIJSA-N 2 2 397.519 3.737 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(C[NH+]3CCCC3)o2)C[C@H](C)O1 ZINC001464268525 1064934028 /nfs/dbraw/zinc/93/40/28/1064934028.db2.gz IPORLVYTGOZPEA-HDICACEKSA-N 2 2 397.519 3.737 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(C[NH+]3CCCC3)o2)C[C@H](C)O1 ZINC001464268525 1064934034 /nfs/dbraw/zinc/93/40/34/1064934034.db2.gz IPORLVYTGOZPEA-HDICACEKSA-N 2 2 397.519 3.737 20 0 GHADLP CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC001469130591 1067988911 /nfs/dbraw/zinc/98/89/11/1067988911.db2.gz ZMZNKCJMNVITPJ-QFIPXVFZSA-N 2 2 385.596 3.582 20 0 GHADLP CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC001469130591 1067988917 /nfs/dbraw/zinc/98/89/17/1067988917.db2.gz ZMZNKCJMNVITPJ-QFIPXVFZSA-N 2 2 385.596 3.582 20 0 GHADLP CCCCCC[C@H](CC)CN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001477926516 1078630900 /nfs/dbraw/zinc/63/09/00/1078630900.db2.gz IKBVEWRRIFCEQN-PMACEKPBSA-N 2 2 380.621 3.793 20 0 GHADLP CCCCCC[C@H](CC)CN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001477926516 1078630904 /nfs/dbraw/zinc/63/09/04/1078630904.db2.gz IKBVEWRRIFCEQN-PMACEKPBSA-N 2 2 380.621 3.793 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c(C)c1 ZINC001469503071 1068195242 /nfs/dbraw/zinc/19/52/42/1068195242.db2.gz SNRJFULBZVWINL-NHCUHLMSSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c(C)c1 ZINC001469503071 1068195250 /nfs/dbraw/zinc/19/52/50/1068195250.db2.gz SNRJFULBZVWINL-NHCUHLMSSA-N 2 2 397.567 3.661 20 0 GHADLP CC1([NH+]2CCCC2)CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC001460582773 1069008352 /nfs/dbraw/zinc/00/83/52/1069008352.db2.gz ZSKMPKWUYRKVGJ-KRWDZBQOSA-N 2 2 387.351 3.683 20 0 GHADLP Cc1ccc([C@@H](NC(=O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C2CC2)cc1 ZINC001460696143 1069092929 /nfs/dbraw/zinc/09/29/29/1069092929.db2.gz RKRULWVGAPCLEF-LADGPHEKSA-N 2 2 388.515 3.790 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC001470568428 1072628694 /nfs/dbraw/zinc/62/86/94/1072628694.db2.gz UTSPILQSFWERPS-NHCUHLMSSA-N 2 2 382.552 3.529 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC001470568428 1072628696 /nfs/dbraw/zinc/62/86/96/1072628696.db2.gz UTSPILQSFWERPS-NHCUHLMSSA-N 2 2 382.552 3.529 20 0 GHADLP C[NH+](C)C1(C)CCC(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC001478716110 1078964812 /nfs/dbraw/zinc/96/48/12/1078964812.db2.gz RMWLYSFAALIGBZ-UHFFFAOYSA-N 2 2 389.931 3.588 20 0 GHADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001478741449 1078973106 /nfs/dbraw/zinc/97/31/06/1078973106.db2.gz WGGFBABKVBTSII-NQIIRXRSSA-N 2 2 392.563 3.724 20 0 GHADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001478741449 1078973109 /nfs/dbraw/zinc/97/31/09/1078973109.db2.gz WGGFBABKVBTSII-NQIIRXRSSA-N 2 2 392.563 3.724 20 0 GHADLP Cc1[nH]c([C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)[nH+]c1C ZINC001471860024 1073235194 /nfs/dbraw/zinc/23/51/94/1073235194.db2.gz IIDNGKSCNIFRFJ-NHCUHLMSSA-N 2 2 380.536 3.645 20 0 GHADLP Cc1[nH]c([C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)[nH+]c1C ZINC001471860024 1073235199 /nfs/dbraw/zinc/23/51/99/1073235199.db2.gz IIDNGKSCNIFRFJ-NHCUHLMSSA-N 2 2 380.536 3.645 20 0 GHADLP COc1cc(C)c([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC001473333185 1073924260 /nfs/dbraw/zinc/92/42/60/1073924260.db2.gz UTSJPRQUXAKJMH-FQEVSTJZSA-N 2 2 397.563 3.875 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001474078549 1074257049 /nfs/dbraw/zinc/25/70/49/1074257049.db2.gz ORUCILJLHFETHY-REHUZNOOSA-N 2 2 378.564 3.717 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001474078549 1074257054 /nfs/dbraw/zinc/25/70/54/1074257054.db2.gz ORUCILJLHFETHY-REHUZNOOSA-N 2 2 378.564 3.717 20 0 GHADLP CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC001474199724 1074291254 /nfs/dbraw/zinc/29/12/54/1074291254.db2.gz LRYSLAHNJMQADW-MOPGFXCFSA-N 2 2 382.508 3.798 20 0 GHADLP C[NH+](C)CCCC1CC[NH+](Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)CC1 ZINC001474342717 1074352496 /nfs/dbraw/zinc/35/24/96/1074352496.db2.gz DOLINWWTUDMUFN-UHFFFAOYSA-N 3 2 397.510 3.624 20 0 GHADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC001474690082 1074516697 /nfs/dbraw/zinc/51/66/97/1074516697.db2.gz LTNOQOXNUCZGDV-YSGRDPCXSA-N 2 2 391.506 3.703 20 0 GHADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC001476105274 1075085902 /nfs/dbraw/zinc/08/59/02/1075085902.db2.gz AKCMHICDMHLPRP-UHFFFAOYSA-N 2 2 388.487 3.623 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC001476105274 1075085906 /nfs/dbraw/zinc/08/59/06/1075085906.db2.gz AKCMHICDMHLPRP-UHFFFAOYSA-N 2 2 388.487 3.623 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001654630325 1126253944 /nfs/dbraw/zinc/25/39/44/1126253944.db2.gz VHNLFVVSZJTNKO-WOJBJXKFSA-N 2 2 389.421 3.805 20 0 GHADLP C[C@@H]1C[C@H](NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c2[nH+]ccn21 ZINC000333157020 570731260 /nfs/dbraw/zinc/73/12/60/570731260.db2.gz GOQIUTQYUKGNBA-QUCCMNQESA-N 2 2 393.535 3.587 20 0 GHADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000823792562 606125290 /nfs/dbraw/zinc/12/52/90/606125290.db2.gz XRQNAZCQHYZQCI-QGZVFWFLSA-N 2 2 391.523 3.507 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000824547412 608513758 /nfs/dbraw/zinc/51/37/58/608513758.db2.gz NXXMYNVONPJZCW-QVKFZJNVSA-N 2 2 385.475 3.781 20 0 GHADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)[nH+]c4c2CCC4)CC3)cs1 ZINC001164691297 719811949 /nfs/dbraw/zinc/81/19/49/719811949.db2.gz DXVUMORVYZJOEI-UHFFFAOYSA-N 2 2 383.565 3.674 20 0 GHADLP Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)[nH+]c4c2CCC4)CC3)cs1 ZINC001164691297 719811950 /nfs/dbraw/zinc/81/19/50/719811950.db2.gz DXVUMORVYZJOEI-UHFFFAOYSA-N 2 2 383.565 3.674 20 0 GHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(C(C)(C)C)c[nH+]3)CC[C@@H]21 ZINC001164843692 720646843 /nfs/dbraw/zinc/64/68/43/720646843.db2.gz XASVLTPMHHLWCX-GIVPXCGWSA-N 2 2 381.568 3.953 20 0 GHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(C(C)(C)C)c[nH+]3)CC[C@@H]21 ZINC001164843692 720646855 /nfs/dbraw/zinc/64/68/55/720646855.db2.gz XASVLTPMHHLWCX-GIVPXCGWSA-N 2 2 381.568 3.953 20 0 GHADLP c1csc(C[NH+]2C[C@H]3CN(c4[nH+]cnc5c4ccn5C4CCCC4)C[C@@H]3C2)n1 ZINC001164781156 721413294 /nfs/dbraw/zinc/41/32/94/721413294.db2.gz CEHSTMYUZVPKPU-HOTGVXAUSA-N 2 2 394.548 3.571 20 0 GHADLP COc1ccc2c(C)cc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)[nH+]c2c1 ZINC001164789512 721417182 /nfs/dbraw/zinc/41/71/82/721417182.db2.gz URUONWAWICRCNA-HZPDHXFCSA-N 2 2 380.517 3.577 20 0 GHADLP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cc[nH+]c(N4CCCCC4)n2)C3)c1 ZINC001164995003 722207254 /nfs/dbraw/zinc/20/72/54/722207254.db2.gz KIYVHEVVRAGAFS-HSZRJFAPSA-N 2 2 395.526 3.851 20 0 GHADLP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cc[nH+]c(N4CCCCC4)n2)C3)c1 ZINC001164995003 722207255 /nfs/dbraw/zinc/20/72/55/722207255.db2.gz KIYVHEVVRAGAFS-HSZRJFAPSA-N 2 2 395.526 3.851 20 0 GHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000310993170 837421924 /nfs/dbraw/zinc/42/19/24/837421924.db2.gz MEEIBAJEIAGGDZ-FQEVSTJZSA-N 2 2 384.524 3.689 20 0 GHADLP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655701480 837692363 /nfs/dbraw/zinc/69/23/63/837692363.db2.gz XEEDOGHIWZEAMY-LADGPHEKSA-N 2 2 398.522 3.961 20 0 GHADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000655704614 837692449 /nfs/dbraw/zinc/69/24/49/837692449.db2.gz GTPQXMPVLIMCNJ-UHFFFAOYSA-N 2 2 391.357 3.906 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC(C)(C)CCC[NH+](C)C)c(C)c1 ZINC000458562041 834509806 /nfs/dbraw/zinc/50/98/06/834509806.db2.gz DCDFTJGISLYOEI-HXUWFJFHSA-N 2 2 385.556 3.661 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cnc(-c4ccco4)s3)[nH+]c2)CC1 ZINC000278760719 834535760 /nfs/dbraw/zinc/53/57/60/834535760.db2.gz NNYJYDZJYSCMPN-UHFFFAOYSA-N 2 2 383.521 3.941 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc(OC)c1OCc1ccccc1 ZINC000430148257 834571110 /nfs/dbraw/zinc/57/11/10/834571110.db2.gz NJGOWGDXUFKCHA-DEOSSOPVSA-N 2 2 396.531 3.810 20 0 GHADLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc(OC)c1OCc1ccccc1 ZINC000430148257 834571116 /nfs/dbraw/zinc/57/11/16/834571116.db2.gz NJGOWGDXUFKCHA-DEOSSOPVSA-N 2 2 396.531 3.810 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc(OC)c1OCc1ccccc1 ZINC000430148257 834571122 /nfs/dbraw/zinc/57/11/22/834571122.db2.gz NJGOWGDXUFKCHA-DEOSSOPVSA-N 2 2 396.531 3.810 20 0 GHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc(OC)c1OCc1ccccc1 ZINC000430148257 834571124 /nfs/dbraw/zinc/57/11/24/834571124.db2.gz NJGOWGDXUFKCHA-DEOSSOPVSA-N 2 2 396.531 3.810 20 0 GHADLP CCC[NH+]1CCC(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000536082418 834729835 /nfs/dbraw/zinc/72/98/35/834729835.db2.gz ONNYDMQMHUGXAL-UHFFFAOYSA-N 2 2 393.535 3.845 20 0 GHADLP c1[nH+]c(-c2ccc(NC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)n2c1CCCC2 ZINC000655749317 837802268 /nfs/dbraw/zinc/80/22/68/837802268.db2.gz AXIXNAFVMFPUBA-JOCHJYFZSA-N 2 2 380.536 3.942 20 0 GHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000172531441 834755579 /nfs/dbraw/zinc/75/55/79/834755579.db2.gz VXXOUAFUKQAZKI-OALUTQOASA-N 2 2 384.593 3.801 20 0 GHADLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccnc(Cl)c3)CC2)cc1 ZINC000162824544 834876188 /nfs/dbraw/zinc/87/61/88/834876188.db2.gz FUIVCYYWDDUVQG-QGZVFWFLSA-N 2 2 388.943 3.607 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C(F)F)nc1 ZINC000657889637 834966244 /nfs/dbraw/zinc/96/62/44/834966244.db2.gz SQFSRRXVYDIGMZ-IPELMVKDSA-N 2 2 375.463 3.553 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C(F)F)nc1 ZINC000657889637 834966256 /nfs/dbraw/zinc/96/62/56/834966256.db2.gz SQFSRRXVYDIGMZ-IPELMVKDSA-N 2 2 375.463 3.553 20 0 GHADLP COc1cc(Cl)c(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000685457805 835022066 /nfs/dbraw/zinc/02/20/66/835022066.db2.gz OKYVPCLCKQFBPE-INIZCTEOSA-N 2 2 386.367 3.602 20 0 GHADLP COc1cc(Cl)c(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000685457805 835022073 /nfs/dbraw/zinc/02/20/73/835022073.db2.gz OKYVPCLCKQFBPE-INIZCTEOSA-N 2 2 386.367 3.602 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)c(F)c(C)c3)CC2)C1 ZINC001143374409 835046637 /nfs/dbraw/zinc/04/66/37/835046637.db2.gz WHFXCTRZFKBJGB-LJQANCHMSA-N 2 2 376.516 3.682 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)c(F)c(C)c3)CC2)C1 ZINC001143374409 835046647 /nfs/dbraw/zinc/04/66/47/835046647.db2.gz WHFXCTRZFKBJGB-LJQANCHMSA-N 2 2 376.516 3.682 20 0 GHADLP CN(c1ccccc1C[N@@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000430219337 835218033 /nfs/dbraw/zinc/21/80/33/835218033.db2.gz NQLUNONTWWNCJJ-LJQANCHMSA-N 2 2 399.501 3.759 20 0 GHADLP CN(c1ccccc1C[N@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000430219337 835218038 /nfs/dbraw/zinc/21/80/38/835218038.db2.gz NQLUNONTWWNCJJ-LJQANCHMSA-N 2 2 399.501 3.759 20 0 GHADLP CC1CC[NH+](Cc2ccc(CNC(=O)Nc3ccn4cc[nH+]c4c3)cc2)CC1 ZINC000685651068 835263128 /nfs/dbraw/zinc/26/31/28/835263128.db2.gz DOBQKYJMCMJKGW-UHFFFAOYSA-N 2 2 377.492 3.888 20 0 GHADLP CC[C@]1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)OCCc2ccccc21 ZINC000685657119 835271363 /nfs/dbraw/zinc/27/13/63/835271363.db2.gz DLRVFLDNKJLSKU-CTUHWIOQSA-N 2 2 379.548 3.760 20 0 GHADLP CC[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)OCCc2ccccc21 ZINC000685657119 835271369 /nfs/dbraw/zinc/27/13/69/835271369.db2.gz DLRVFLDNKJLSKU-CTUHWIOQSA-N 2 2 379.548 3.760 20 0 GHADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000151339236 835382329 /nfs/dbraw/zinc/38/23/29/835382329.db2.gz BBFXFMNGXYSIIW-KRWDZBQOSA-N 2 2 398.532 3.544 20 0 GHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471176273 835442031 /nfs/dbraw/zinc/44/20/31/835442031.db2.gz IKPONBZXGYQAHO-CQSZACIVSA-N 2 2 381.307 3.555 20 0 GHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471176273 835442035 /nfs/dbraw/zinc/44/20/35/835442035.db2.gz IKPONBZXGYQAHO-CQSZACIVSA-N 2 2 381.307 3.555 20 0 GHADLP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CSC2 ZINC000658185585 835491823 /nfs/dbraw/zinc/49/18/23/835491823.db2.gz JCXBANWAANIZOW-WMZOPIPTSA-N 2 2 397.382 3.580 20 0 GHADLP Brc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295200 835559249 /nfs/dbraw/zinc/55/92/49/835559249.db2.gz REIWXYYXXAHULK-DNVCBOLYSA-N 2 2 379.342 3.669 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CC[NH+](C)C3CCCCC3)n2)C1 ZINC000547732230 835840465 /nfs/dbraw/zinc/84/04/65/835840465.db2.gz INPJHZUEOTXFFP-MRXNPFEDSA-N 2 2 378.586 3.968 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CC[NH+](C)C3CCCCC3)n2)C1 ZINC000547732230 835840467 /nfs/dbraw/zinc/84/04/67/835840467.db2.gz INPJHZUEOTXFFP-MRXNPFEDSA-N 2 2 378.586 3.968 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)CC[N@H+](C)C3CCCCC3)n2)C1 ZINC000547732230 835840470 /nfs/dbraw/zinc/84/04/70/835840470.db2.gz INPJHZUEOTXFFP-MRXNPFEDSA-N 2 2 378.586 3.968 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)CC[N@@H+](C)C3CCCCC3)n2)C1 ZINC000547732230 835840474 /nfs/dbraw/zinc/84/04/74/835840474.db2.gz INPJHZUEOTXFFP-MRXNPFEDSA-N 2 2 378.586 3.968 20 0 GHADLP CC[N@H+](CC(=O)N1CCC([NH+]2CCCCC2)CC1)Cc1ccccc1Cl ZINC000584305016 835862237 /nfs/dbraw/zinc/86/22/37/835862237.db2.gz WCTQJUBAHGBQKZ-UHFFFAOYSA-N 2 2 377.960 3.639 20 0 GHADLP CC[N@@H+](CC(=O)N1CCC([NH+]2CCCCC2)CC1)Cc1ccccc1Cl ZINC000584305016 835862244 /nfs/dbraw/zinc/86/22/44/835862244.db2.gz WCTQJUBAHGBQKZ-UHFFFAOYSA-N 2 2 377.960 3.639 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\c1cccc(OC2CCCC2)c1 ZINC000255014673 835871198 /nfs/dbraw/zinc/87/11/98/835871198.db2.gz KVFWONZSDCMLOC-QXMHVHEDSA-N 2 2 399.579 3.506 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\c1cccc(OC2CCCC2)c1 ZINC000255014673 835871203 /nfs/dbraw/zinc/87/12/03/835871203.db2.gz KVFWONZSDCMLOC-QXMHVHEDSA-N 2 2 399.579 3.506 20 0 GHADLP Cn1c2ccc(C[N@H+](Cc3ccccc3)C3CC[NH+](C)CC3)cc2sc1=O ZINC000584319042 835875006 /nfs/dbraw/zinc/87/50/06/835875006.db2.gz LFMNOUZPERCCFT-UHFFFAOYSA-N 2 2 381.545 3.696 20 0 GHADLP Cn1c2ccc(C[N@@H+](Cc3ccccc3)C3CC[NH+](C)CC3)cc2sc1=O ZINC000584319042 835875012 /nfs/dbraw/zinc/87/50/12/835875012.db2.gz LFMNOUZPERCCFT-UHFFFAOYSA-N 2 2 381.545 3.696 20 0 GHADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278739611 835927950 /nfs/dbraw/zinc/92/79/50/835927950.db2.gz ADGOAXSWGJBHRK-AWEZNQCLSA-N 2 2 388.462 3.704 20 0 GHADLP O=C(NCc1ccco1)c1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000173877560 836318962 /nfs/dbraw/zinc/31/89/62/836318962.db2.gz ZKHFUQNKFYSLTJ-FQEVSTJZSA-N 2 2 381.520 3.517 20 0 GHADLP O=C(NCc1ccco1)c1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000173877560 836318973 /nfs/dbraw/zinc/31/89/73/836318973.db2.gz ZKHFUQNKFYSLTJ-FQEVSTJZSA-N 2 2 381.520 3.517 20 0 GHADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000500863839 844168794 /nfs/dbraw/zinc/16/87/94/844168794.db2.gz JUBRESPLFOVXTC-UHFFFAOYSA-N 2 2 396.560 3.977 20 0 GHADLP Clc1cccc(N2CCOCC2)c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000549726551 844184541 /nfs/dbraw/zinc/18/45/41/844184541.db2.gz JZNHTCGFQYQWFN-UHFFFAOYSA-N 2 2 391.987 3.921 20 0 GHADLP CC(C)[C@H]1C[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000448287324 836719361 /nfs/dbraw/zinc/71/93/61/836719361.db2.gz JZBZWTWTWWPVGG-FGZHOGPDSA-N 2 2 386.584 3.538 20 0 GHADLP CC(C)[C@H]1C[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000448287324 836719363 /nfs/dbraw/zinc/71/93/63/836719363.db2.gz JZBZWTWTWWPVGG-FGZHOGPDSA-N 2 2 386.584 3.538 20 0 GHADLP CCCc1cc(N2CC(c3[nH+]cn4cc(Br)ccc34)C2)nc(C)[nH+]1 ZINC001167169371 836775485 /nfs/dbraw/zinc/77/54/85/836775485.db2.gz WIPOKKGJPFRBDH-UHFFFAOYSA-N 2 2 386.297 3.752 20 0 GHADLP CN(C(=O)C1CCC2(CC2)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612961620 837023033 /nfs/dbraw/zinc/02/30/33/837023033.db2.gz ZXIYCDRJBCZJHN-NHCUHLMSSA-N 2 2 375.601 3.752 20 0 GHADLP CN(C(=O)C1CCC2(CC2)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612961620 837023044 /nfs/dbraw/zinc/02/30/44/837023044.db2.gz ZXIYCDRJBCZJHN-NHCUHLMSSA-N 2 2 375.601 3.752 20 0 GHADLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4cc(Cl)cc(Cl)c43)cn2)CC1 ZINC000134306982 837232240 /nfs/dbraw/zinc/23/22/40/837232240.db2.gz RDYHODDNGKTDFF-SFHVURJKSA-N 2 2 391.346 3.917 20 0 GHADLP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000655769011 837836323 /nfs/dbraw/zinc/83/63/23/837836323.db2.gz AZWCYDRYVKRKJG-VWNXMTODSA-N 3 2 385.596 3.522 20 0 GHADLP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000655769011 837836329 /nfs/dbraw/zinc/83/63/29/837836329.db2.gz AZWCYDRYVKRKJG-VWNXMTODSA-N 3 2 385.596 3.522 20 0 GHADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)co2)cc1 ZINC000579944712 837883775 /nfs/dbraw/zinc/88/37/75/837883775.db2.gz WKSFSBCUTVUVET-NFBKMPQASA-N 2 2 375.472 3.996 20 0 GHADLP CC[C@@H](C)Oc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000177337791 837908955 /nfs/dbraw/zinc/90/89/55/837908955.db2.gz NVFMWFNDWYSXOV-LJQANCHMSA-N 2 2 387.568 3.544 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655847854 838047213 /nfs/dbraw/zinc/04/72/13/838047213.db2.gz DLGCJBGNJSQEGT-LSTHTHJFSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655847854 838047224 /nfs/dbraw/zinc/04/72/24/838047224.db2.gz DLGCJBGNJSQEGT-LSTHTHJFSA-N 2 2 377.960 3.684 20 0 GHADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1OCc1ccncc1 ZINC000655856341 838075356 /nfs/dbraw/zinc/07/53/56/838075356.db2.gz MUWMTXSUSVRXKT-SFTDATJTSA-N 2 2 381.520 3.776 20 0 GHADLP COc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1OCc1ccncc1 ZINC000655856341 838075368 /nfs/dbraw/zinc/07/53/68/838075368.db2.gz MUWMTXSUSVRXKT-SFTDATJTSA-N 2 2 381.520 3.776 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)CC1 ZINC000377898886 838128635 /nfs/dbraw/zinc/12/86/35/838128635.db2.gz CSRHILUCVPVSMI-HXUWFJFHSA-N 2 2 388.556 3.550 20 0 GHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)CC1 ZINC000377898886 838128641 /nfs/dbraw/zinc/12/86/41/838128641.db2.gz CSRHILUCVPVSMI-HXUWFJFHSA-N 2 2 388.556 3.550 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000237051400 844299958 /nfs/dbraw/zinc/29/99/58/844299958.db2.gz JGEPNQVQKAEARK-ROUUACIJSA-N 2 2 378.923 3.995 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(COc3ccc(F)cc3)no2)CC1 ZINC000052209318 844305346 /nfs/dbraw/zinc/30/53/46/844305346.db2.gz PWUUUXUOXCKBHQ-UHFFFAOYSA-N 2 2 390.503 3.732 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(COc3ccc(F)cc3)no2)CC1 ZINC000052209318 844305350 /nfs/dbraw/zinc/30/53/50/844305350.db2.gz PWUUUXUOXCKBHQ-UHFFFAOYSA-N 2 2 390.503 3.732 20 0 GHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182090074 838324722 /nfs/dbraw/zinc/32/47/22/838324722.db2.gz TYIGVHDPEPVSNG-GOSISDBHSA-N 2 2 381.499 3.816 20 0 GHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182090074 838324733 /nfs/dbraw/zinc/32/47/33/838324733.db2.gz TYIGVHDPEPVSNG-GOSISDBHSA-N 2 2 381.499 3.816 20 0 GHADLP O=C(CC[N@H+]1CCC[C@@H]1c1ccccc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000053278825 838633224 /nfs/dbraw/zinc/63/32/24/838633224.db2.gz RXOUXDNLFQDALE-HXUWFJFHSA-N 2 2 398.938 3.611 20 0 GHADLP O=C(CC[N@@H+]1CCC[C@@H]1c1ccccc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000053278825 838633232 /nfs/dbraw/zinc/63/32/32/838633232.db2.gz RXOUXDNLFQDALE-HXUWFJFHSA-N 2 2 398.938 3.611 20 0 GHADLP O=C(CC[N@@H+]1CCc2ccccc2C1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000416243370 838791959 /nfs/dbraw/zinc/79/19/59/838791959.db2.gz SZNJEQCFJIQRCA-UHFFFAOYSA-N 2 2 394.906 3.590 20 0 GHADLP O=C(CC[N@H+]1CCc2ccccc2C1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000416243370 838791969 /nfs/dbraw/zinc/79/19/69/838791969.db2.gz SZNJEQCFJIQRCA-UHFFFAOYSA-N 2 2 394.906 3.590 20 0 GHADLP COc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C(C)C)c(Br)c1 ZINC000580132876 838940879 /nfs/dbraw/zinc/94/08/79/838940879.db2.gz HRDRLSSBENPJDJ-UGSOOPFHSA-N 2 2 378.314 3.956 20 0 GHADLP C#CCOc1ccc(Br)cc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000236638515 839041271 /nfs/dbraw/zinc/04/12/71/839041271.db2.gz PLWRPNFESOUZLB-UHFFFAOYSA-N 2 2 379.342 3.814 20 0 GHADLP Cc1ccccc1CCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549164955 839121240 /nfs/dbraw/zinc/12/12/40/839121240.db2.gz IPVYTGIGFKOBBT-HSZRJFAPSA-N 2 2 393.575 3.544 20 0 GHADLP Cc1ccccc1CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549164955 839121246 /nfs/dbraw/zinc/12/12/46/839121246.db2.gz IPVYTGIGFKOBBT-HSZRJFAPSA-N 2 2 393.575 3.544 20 0 GHADLP CN(C(=O)c1ccc(F)c(F)c1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124710786 839165990 /nfs/dbraw/zinc/16/59/90/839165990.db2.gz YVNOKYVMSZUTJS-ROUUACIJSA-N 2 2 397.485 3.513 20 0 GHADLP CN(C(=O)c1ccc(F)c(F)c1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124710786 839165995 /nfs/dbraw/zinc/16/59/95/839165995.db2.gz YVNOKYVMSZUTJS-ROUUACIJSA-N 2 2 397.485 3.513 20 0 GHADLP CCC1(CC)CCC(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000473421057 844407890 /nfs/dbraw/zinc/40/78/90/844407890.db2.gz LHNWZWLAOIJQRR-UHFFFAOYSA-N 2 2 378.605 3.593 20 0 GHADLP CCCn1c(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)nc2ccccc21 ZINC000415139881 839266208 /nfs/dbraw/zinc/26/62/08/839266208.db2.gz XLFRCVIWTOPDEC-UHFFFAOYSA-N 2 2 391.563 3.529 20 0 GHADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(F)c(Br)c3)CC2)C[C@@H](C)O1 ZINC000110431942 844447428 /nfs/dbraw/zinc/44/74/28/844447428.db2.gz NBFBPIKDLTXBFG-HUUCEWRRSA-N 2 2 399.348 3.909 20 0 GHADLP C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278815268 839576594 /nfs/dbraw/zinc/57/65/94/839576594.db2.gz GZXLKTXCFGLBIM-QGZVFWFLSA-N 2 2 376.508 3.741 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431847585 839878560 /nfs/dbraw/zinc/87/85/60/839878560.db2.gz LTJLFWQXTOFLDP-QFIPXVFZSA-N 2 2 394.563 3.840 20 0 GHADLP CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1 ZINC000193987588 840220086 /nfs/dbraw/zinc/22/00/86/840220086.db2.gz XMDNIIKRQDNWPL-UHFFFAOYSA-N 2 2 399.451 3.637 20 0 GHADLP CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1 ZINC000193987588 840220098 /nfs/dbraw/zinc/22/00/98/840220098.db2.gz XMDNIIKRQDNWPL-UHFFFAOYSA-N 2 2 399.451 3.637 20 0 GHADLP COc1ccc(-n2ccc(C[NH2+][C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)n2)cc1 ZINC000548154074 840649812 /nfs/dbraw/zinc/64/98/12/840649812.db2.gz XFBCQKKKMLVCEP-FPOVZHCZSA-N 2 2 390.531 3.881 20 0 GHADLP COc1ccc(-n2ccc(C[NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2)cc1 ZINC000548154074 840649819 /nfs/dbraw/zinc/64/98/19/840649819.db2.gz XFBCQKKKMLVCEP-FPOVZHCZSA-N 2 2 390.531 3.881 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cc(-c4cnn(C)c4C)no3)C2)s1 ZINC000581134993 840779619 /nfs/dbraw/zinc/77/96/19/840779619.db2.gz IYJDBQYPENNLJK-KRWDZBQOSA-N 2 2 399.564 3.707 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cc(-c4cnn(C)c4C)no3)C2)s1 ZINC000581134993 840779629 /nfs/dbraw/zinc/77/96/29/840779629.db2.gz IYJDBQYPENNLJK-KRWDZBQOSA-N 2 2 399.564 3.707 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cc(-c4cnn(C)c4C)no3)C2)s1 ZINC000581134993 840779635 /nfs/dbraw/zinc/77/96/35/840779635.db2.gz IYJDBQYPENNLJK-KRWDZBQOSA-N 2 2 399.564 3.707 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cc(-c4cnn(C)c4C)no3)C2)s1 ZINC000581134993 840779642 /nfs/dbraw/zinc/77/96/42/840779642.db2.gz IYJDBQYPENNLJK-KRWDZBQOSA-N 2 2 399.564 3.707 20 0 GHADLP CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cs2)cc1OC ZINC000430544964 840968152 /nfs/dbraw/zinc/96/81/52/840968152.db2.gz AQANXLMJGZYWCL-HOCLYGCPSA-N 2 2 375.538 3.777 20 0 GHADLP CCOc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cs2)cc1OC ZINC000430544964 840968165 /nfs/dbraw/zinc/96/81/65/840968165.db2.gz AQANXLMJGZYWCL-HOCLYGCPSA-N 2 2 375.538 3.777 20 0 GHADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000430559503 841091705 /nfs/dbraw/zinc/09/17/05/841091705.db2.gz CXLMKLYPAUPGNM-BXUZGUMPSA-N 2 2 379.854 3.991 20 0 GHADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000430559503 841091718 /nfs/dbraw/zinc/09/17/18/841091718.db2.gz CXLMKLYPAUPGNM-BXUZGUMPSA-N 2 2 379.854 3.991 20 0 GHADLP C[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)N(C)Cc1ccccc1 ZINC000160875203 841198345 /nfs/dbraw/zinc/19/83/45/841198345.db2.gz IIOBVHAAQVYHOT-FQEVSTJZSA-N 2 2 380.580 3.832 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(-c2ccccc2)cn1 ZINC000651673207 841302590 /nfs/dbraw/zinc/30/25/90/841302590.db2.gz AKLGKCPYSGRQJK-LJQANCHMSA-N 2 2 387.531 3.746 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000510419880 841312457 /nfs/dbraw/zinc/31/24/57/841312457.db2.gz LTDWGUPQEKAFEE-UHFFFAOYSA-N 2 2 380.536 3.909 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000510419880 841312464 /nfs/dbraw/zinc/31/24/64/841312464.db2.gz LTDWGUPQEKAFEE-UHFFFAOYSA-N 2 2 380.536 3.909 20 0 GHADLP C[NH2+][C@@H](C(=O)NCCCNc1ccc(C)c[nH+]1)c1cccc(Cl)c1Cl ZINC000662736760 841516915 /nfs/dbraw/zinc/51/69/15/841516915.db2.gz SVEFWDPCZGLQTJ-QGZVFWFLSA-N 2 2 381.307 3.576 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C[N@@H+]1C1CC1 ZINC000500242999 841723891 /nfs/dbraw/zinc/72/38/91/841723891.db2.gz JPDBTWIHXLUHTL-DGCLKSJQSA-N 2 2 377.838 3.738 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C[N@H+]1C1CC1 ZINC000500242999 841723894 /nfs/dbraw/zinc/72/38/94/841723894.db2.gz JPDBTWIHXLUHTL-DGCLKSJQSA-N 2 2 377.838 3.738 20 0 GHADLP [NH3+]CC1CC[NH+](Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)CC1 ZINC000430621592 841839211 /nfs/dbraw/zinc/83/92/11/841839211.db2.gz DREXTUOMGFBTBX-UHFFFAOYSA-N 2 2 388.924 3.888 20 0 GHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Br)c(Cl)s2)CCCO1 ZINC000432344760 842110775 /nfs/dbraw/zinc/11/07/75/842110775.db2.gz CBULFCZMYLAOMU-NSHDSACASA-N 2 2 381.767 3.755 20 0 GHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Br)c(Cl)s2)CCCO1 ZINC000432344760 842110778 /nfs/dbraw/zinc/11/07/78/842110778.db2.gz CBULFCZMYLAOMU-NSHDSACASA-N 2 2 381.767 3.755 20 0 GHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3csc(Cl)c3Cl)cc2)CC1 ZINC000432229749 842110805 /nfs/dbraw/zinc/11/08/05/842110805.db2.gz UOJNECKCFUXRDG-UHFFFAOYSA-N 2 2 398.359 3.732 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000177929356 861285685 /nfs/dbraw/zinc/28/56/85/861285685.db2.gz GGQFYARLFQMLAJ-SFHVURJKSA-N 2 2 391.519 3.708 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000177929356 861285697 /nfs/dbraw/zinc/28/56/97/861285697.db2.gz GGQFYARLFQMLAJ-SFHVURJKSA-N 2 2 391.519 3.708 20 0 GHADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000512045856 842310886 /nfs/dbraw/zinc/31/08/86/842310886.db2.gz OJRQTTHLMKRHDK-HRAATJIYSA-N 2 2 389.565 3.620 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1C ZINC000051333860 842825323 /nfs/dbraw/zinc/82/53/23/842825323.db2.gz VJCXAUQZWMCVOO-UHFFFAOYSA-N 2 2 396.535 3.692 20 0 GHADLP C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000430792445 842992138 /nfs/dbraw/zinc/99/21/38/842992138.db2.gz RMRSNXRNFUAVGD-IZFXNUPESA-N 2 2 397.607 3.832 20 0 GHADLP C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000430792445 842992142 /nfs/dbraw/zinc/99/21/42/842992142.db2.gz RMRSNXRNFUAVGD-IZFXNUPESA-N 2 2 397.607 3.832 20 0 GHADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512275092 843297748 /nfs/dbraw/zinc/29/77/48/843297748.db2.gz CZORKOPNGXOXPB-PXDATVDWSA-N 2 2 391.559 3.632 20 0 GHADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512275092 843297757 /nfs/dbraw/zinc/29/77/57/843297757.db2.gz CZORKOPNGXOXPB-PXDATVDWSA-N 2 2 391.559 3.632 20 0 GHADLP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512275092 843297764 /nfs/dbraw/zinc/29/77/64/843297764.db2.gz CZORKOPNGXOXPB-PXDATVDWSA-N 2 2 391.559 3.632 20 0 GHADLP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512275092 843297775 /nfs/dbraw/zinc/29/77/75/843297775.db2.gz CZORKOPNGXOXPB-PXDATVDWSA-N 2 2 391.559 3.632 20 0 GHADLP C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662507994 843356679 /nfs/dbraw/zinc/35/66/79/843356679.db2.gz QONSTKIFYKWJKY-IRFCIJBXSA-N 2 2 387.886 3.575 20 0 GHADLP C[N@H+]1CC[C@H](NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662507994 843356690 /nfs/dbraw/zinc/35/66/90/843356690.db2.gz QONSTKIFYKWJKY-IRFCIJBXSA-N 2 2 387.886 3.575 20 0 GHADLP C[N@H+](C[C@H](O)COc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512315869 843366199 /nfs/dbraw/zinc/36/61/99/843366199.db2.gz WEUGDZMDAROXBX-NRFANRHFSA-N 2 2 388.939 3.676 20 0 GHADLP C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512315869 843366209 /nfs/dbraw/zinc/36/62/09/843366209.db2.gz WEUGDZMDAROXBX-NRFANRHFSA-N 2 2 388.939 3.676 20 0 GHADLP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282433859 861455276 /nfs/dbraw/zinc/45/52/76/861455276.db2.gz UOUXSYWJXXAGMA-OAQYLSRUSA-N 2 2 392.547 3.835 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)C ZINC000673709844 861458141 /nfs/dbraw/zinc/45/81/41/861458141.db2.gz ROVWIAYKLSLTMV-FQEVSTJZSA-N 2 2 385.556 3.512 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000432798295 843864198 /nfs/dbraw/zinc/86/41/98/843864198.db2.gz OOEGAXQSHKNZGZ-LJQANCHMSA-N 2 2 380.458 3.866 20 0 GHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000432798295 843864206 /nfs/dbraw/zinc/86/42/06/843864206.db2.gz OOEGAXQSHKNZGZ-LJQANCHMSA-N 2 2 380.458 3.866 20 0 GHADLP C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000500727266 843894246 /nfs/dbraw/zinc/89/42/46/843894246.db2.gz AZVBYEFOZYUBCE-CTNGQTDRSA-N 2 2 398.595 3.523 20 0 GHADLP [NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000237907954 843986364 /nfs/dbraw/zinc/98/63/64/843986364.db2.gz YCNYYJCTBXRTRE-IRLDBZIGSA-N 2 2 388.515 3.732 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000151052941 845141375 /nfs/dbraw/zinc/14/13/75/845141375.db2.gz FLQPHSWGQDRMAP-XXBNENTESA-N 2 2 392.547 3.599 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000151052941 845141474 /nfs/dbraw/zinc/14/14/74/845141474.db2.gz FLQPHSWGQDRMAP-XXBNENTESA-N 2 2 392.547 3.599 20 0 GHADLP CCOc1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)ccc1OCc1ccccc1 ZINC000513520071 845571716 /nfs/dbraw/zinc/57/17/16/845571716.db2.gz MSVTWTOWDZSQML-UHFFFAOYSA-N 2 2 398.547 3.553 20 0 GHADLP CCOc1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)ccc1OCc1ccccc1 ZINC000513520071 845571731 /nfs/dbraw/zinc/57/17/31/845571731.db2.gz MSVTWTOWDZSQML-UHFFFAOYSA-N 2 2 398.547 3.553 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000156946785 845784200 /nfs/dbraw/zinc/78/42/00/845784200.db2.gz MOCFIMJTNAJIPC-XXBNENTESA-N 2 2 379.548 3.873 20 0 GHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000156946785 845784207 /nfs/dbraw/zinc/78/42/07/845784207.db2.gz MOCFIMJTNAJIPC-XXBNENTESA-N 2 2 379.548 3.873 20 0 GHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C(=O)N(C)C)c2)CC[NH+]1Cc1ccccc1 ZINC000156946785 845784211 /nfs/dbraw/zinc/78/42/11/845784211.db2.gz MOCFIMJTNAJIPC-XXBNENTESA-N 2 2 379.548 3.873 20 0 GHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C(=O)N(C)C)c2)CC[NH+]1Cc1ccccc1 ZINC000156946785 845784214 /nfs/dbraw/zinc/78/42/14/845784214.db2.gz MOCFIMJTNAJIPC-XXBNENTESA-N 2 2 379.548 3.873 20 0 GHADLP COCC[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000502706207 846367634 /nfs/dbraw/zinc/36/76/34/846367634.db2.gz DXANAUYULAPLHZ-NQIIRXRSSA-N 2 2 379.976 3.647 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCc3ccc(C(C)C)cc3)CC2)CC1 ZINC000422004611 846744533 /nfs/dbraw/zinc/74/45/33/846744533.db2.gz GWVFMODKSPYZHA-UHFFFAOYSA-N 2 2 385.596 3.761 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCc3ccc(C(C)C)cc3)CC2)CC1 ZINC000422004611 846744539 /nfs/dbraw/zinc/74/45/39/846744539.db2.gz GWVFMODKSPYZHA-UHFFFAOYSA-N 2 2 385.596 3.761 20 0 GHADLP CCCCc1ccc(CC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000422009409 846748306 /nfs/dbraw/zinc/74/83/06/846748306.db2.gz RHECYNPFDPHUTJ-UHFFFAOYSA-N 2 2 385.596 3.590 20 0 GHADLP CCCCc1ccc(CC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000422009409 846748313 /nfs/dbraw/zinc/74/83/13/846748313.db2.gz RHECYNPFDPHUTJ-UHFFFAOYSA-N 2 2 385.596 3.590 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@H]3CCCc4ccccc43)CC2)CC1 ZINC000422027699 846759260 /nfs/dbraw/zinc/75/92/60/846759260.db2.gz WPYYPVTUNIHOAT-NRFANRHFSA-N 2 2 383.580 3.515 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@H]3CCCc4ccccc43)CC2)CC1 ZINC000422027699 846759265 /nfs/dbraw/zinc/75/92/65/846759265.db2.gz WPYYPVTUNIHOAT-NRFANRHFSA-N 2 2 383.580 3.515 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@H](c4ccccc4)C3(C)C)CC2)CC1 ZINC000422149939 846854507 /nfs/dbraw/zinc/85/45/07/846854507.db2.gz BJEGLMCRRHZEAR-QFIPXVFZSA-N 2 2 398.595 3.523 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000545912587 847047537 /nfs/dbraw/zinc/04/75/37/847047537.db2.gz YJMHEGOXZAOQIS-AWEZNQCLSA-N 2 2 387.351 3.932 20 0 GHADLP [NH3+]C[C@@H]([NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C1CCCCC1 ZINC000420366748 847142250 /nfs/dbraw/zinc/14/22/50/847142250.db2.gz MFEKBMZXOSHGOV-NFBKMPQASA-N 2 2 397.588 3.719 20 0 GHADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000420377042 847147903 /nfs/dbraw/zinc/14/79/03/847147903.db2.gz VYFHNSVGLCRNGJ-ZDUSSCGKSA-N 2 2 397.363 3.640 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420398344 847160487 /nfs/dbraw/zinc/16/04/87/847160487.db2.gz GYKLEUGKDPKGDM-KPLVRAHFSA-N 2 2 381.520 3.600 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420398344 847160492 /nfs/dbraw/zinc/16/04/92/847160492.db2.gz GYKLEUGKDPKGDM-KPLVRAHFSA-N 2 2 381.520 3.600 20 0 GHADLP COC(=O)c1cccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000420403336 847168211 /nfs/dbraw/zinc/16/82/11/847168211.db2.gz RDHJDABVGLSUAM-MJGOQNOKSA-N 2 2 385.533 3.561 20 0 GHADLP COC(=O)c1cccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000420403336 847168216 /nfs/dbraw/zinc/16/82/16/847168216.db2.gz RDHJDABVGLSUAM-MJGOQNOKSA-N 2 2 385.533 3.561 20 0 GHADLP COc1ccccc1[C@H](C)[NH2+]CC1(C[NH2+][C@@H](C)c2ccccc2OC)COC1 ZINC000273037156 847235497 /nfs/dbraw/zinc/23/54/97/847235497.db2.gz VVDQLAYSZVFPDD-ROUUACIJSA-N 2 2 384.520 3.722 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)c3ccc(C4CC4)cc3)CC2)CC1 ZINC000422197819 847463576 /nfs/dbraw/zinc/46/35/76/847463576.db2.gz BMNCRSFXEJOCMO-LJQANCHMSA-N 2 2 398.595 3.827 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](C)c3ccc(C4CC4)cc3)CC2)CC1 ZINC000422197819 847463584 /nfs/dbraw/zinc/46/35/84/847463584.db2.gz BMNCRSFXEJOCMO-LJQANCHMSA-N 2 2 398.595 3.827 20 0 GHADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422733407 847788297 /nfs/dbraw/zinc/78/82/97/847788297.db2.gz QXYUMTUJSZMFAT-NDXORKPFSA-N 2 2 391.481 3.828 20 0 GHADLP COc1ccc([C@H](Cc2ccccc2C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1OC ZINC000422788053 847823026 /nfs/dbraw/zinc/82/30/26/847823026.db2.gz RVHNRHSLVAHOFW-QIJUGHKUSA-N 2 2 398.547 3.653 20 0 GHADLP COc1ccc([C@@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422814831 847838121 /nfs/dbraw/zinc/83/81/21/847838121.db2.gz AGVQMPFHFCPFRL-XZOQPEGZSA-N 2 2 376.504 3.506 20 0 GHADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000422884636 847869758 /nfs/dbraw/zinc/86/97/58/847869758.db2.gz SHMFQHMHEDBEQM-PGRDOPGGSA-N 2 2 381.520 3.572 20 0 GHADLP COc1cccc(Oc2ccc(C[NH2+][C@@H](Cc3ccccc3)[C@H](C)[NH3+])cn2)c1 ZINC000422893509 847888337 /nfs/dbraw/zinc/88/83/37/847888337.db2.gz ACAFEEQXXDYRQC-JTSKRJEESA-N 2 2 377.488 3.931 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423066706 847959630 /nfs/dbraw/zinc/95/96/30/847959630.db2.gz FIUIZPODOWRVGL-TZMCWYRMSA-N 2 2 376.850 3.747 20 0 GHADLP C[C@H](CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CC[NH2+]CC1 ZINC000237385409 848078718 /nfs/dbraw/zinc/07/87/18/848078718.db2.gz LHMDISZXKLDNDO-DNVCBOLYSA-N 2 2 395.950 3.586 20 0 GHADLP C[C@H](CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CC[NH2+]CC1 ZINC000237385409 848078728 /nfs/dbraw/zinc/07/87/28/848078728.db2.gz LHMDISZXKLDNDO-DNVCBOLYSA-N 2 2 395.950 3.586 20 0 GHADLP Cn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(-c2cccs2)n1 ZINC000192356865 861927861 /nfs/dbraw/zinc/92/78/61/861927861.db2.gz GIQJYNBRFSAXTO-FQEVSTJZSA-N 2 2 396.560 3.529 20 0 GHADLP Cn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(-c2cccs2)n1 ZINC000192356865 861927870 /nfs/dbraw/zinc/92/78/70/861927870.db2.gz GIQJYNBRFSAXTO-FQEVSTJZSA-N 2 2 396.560 3.529 20 0 GHADLP CCCCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H](C)c1ccc(C)o1 ZINC000604208751 861994495 /nfs/dbraw/zinc/99/44/95/861994495.db2.gz MNCXPEYLDGLTGU-MOPGFXCFSA-N 2 2 390.572 3.629 20 0 GHADLP CCCCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H](C)c1ccc(C)o1 ZINC000604208751 861994505 /nfs/dbraw/zinc/99/45/05/861994505.db2.gz MNCXPEYLDGLTGU-MOPGFXCFSA-N 2 2 390.572 3.629 20 0 GHADLP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000522545390 862035830 /nfs/dbraw/zinc/03/58/30/862035830.db2.gz PNIQMGBCMRNKLR-KDOFPFPSSA-N 2 2 383.964 3.940 20 0 GHADLP CC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C(=O)OC)cc1 ZINC000583312740 849608289 /nfs/dbraw/zinc/60/82/89/849608289.db2.gz LQFKKZBEKPYGNC-PMACEKPBSA-N 2 2 382.508 3.572 20 0 GHADLP CCCCCN(C)c1ccc(F)cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751273 849630595 /nfs/dbraw/zinc/63/05/95/849630595.db2.gz ORYPNGUYFHHAJW-OAQYLSRUSA-N 2 2 377.548 3.795 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000423112779 849759571 /nfs/dbraw/zinc/75/95/71/849759571.db2.gz XVXUSQNWRLVKPU-MDASCCDHSA-N 2 2 386.458 3.530 20 0 GHADLP C[C@@H](CCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000425198472 849787107 /nfs/dbraw/zinc/78/71/07/849787107.db2.gz YBEATMAJFHTNNX-UGKGYDQZSA-N 2 2 390.531 3.959 20 0 GHADLP C[C@@H](CCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000425198472 849787111 /nfs/dbraw/zinc/78/71/11/849787111.db2.gz YBEATMAJFHTNNX-UGKGYDQZSA-N 2 2 390.531 3.959 20 0 GHADLP C[C@@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000423187408 849794695 /nfs/dbraw/zinc/79/46/95/849794695.db2.gz PHDYOZHDKBINTO-DNVCBOLYSA-N 2 2 380.374 3.534 20 0 GHADLP C[C@@H](NC1CC[NH+](Cc2cccc(Br)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000423187408 849794706 /nfs/dbraw/zinc/79/47/06/849794706.db2.gz PHDYOZHDKBINTO-DNVCBOLYSA-N 2 2 380.374 3.534 20 0 GHADLP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000423251845 849831497 /nfs/dbraw/zinc/83/14/97/849831497.db2.gz WQAVZCUYUWNGGN-XZOQPEGZSA-N 2 2 393.535 3.831 20 0 GHADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)c1ccc(OC)c(OC)c1 ZINC000423337576 849872053 /nfs/dbraw/zinc/87/20/53/849872053.db2.gz RDPPOFCSKHKUQH-PCCBWWKXSA-N 2 2 384.520 3.899 20 0 GHADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1OC ZINC000423379373 849892349 /nfs/dbraw/zinc/89/23/49/849892349.db2.gz XKNDGNADGFOVOK-GZRFBZBPSA-N 2 2 390.474 3.648 20 0 GHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434983043 849950630 /nfs/dbraw/zinc/95/06/30/849950630.db2.gz PARUAHIVKYLBAH-GOSISDBHSA-N 2 2 388.515 3.883 20 0 GHADLP COc1ccc(CC[C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1O ZINC000426417166 850078503 /nfs/dbraw/zinc/07/85/03/850078503.db2.gz PRAUNFXQWVOYNZ-SFHVURJKSA-N 2 2 379.504 3.799 20 0 GHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccco1 ZINC000425309026 850261202 /nfs/dbraw/zinc/26/12/02/850261202.db2.gz WHTZUFDIJGECMU-YTQUADARSA-N 2 2 380.492 3.770 20 0 GHADLP Cc1cc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)ccc1OCC[NH+](C)C ZINC000425308954 850261554 /nfs/dbraw/zinc/26/15/54/850261554.db2.gz GABBHCAQHPGOHW-FQEVSTJZSA-N 2 2 392.503 3.819 20 0 GHADLP CCOc1c(Cl)cccc1C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000486963046 850300950 /nfs/dbraw/zinc/30/09/50/850300950.db2.gz DYFUYQJCHFSNDF-UHFFFAOYSA-N 2 2 387.955 3.776 20 0 GHADLP CCOc1c(Cl)cccc1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000486963046 850300964 /nfs/dbraw/zinc/30/09/64/850300964.db2.gz DYFUYQJCHFSNDF-UHFFFAOYSA-N 2 2 387.955 3.776 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c(Cl)c1 ZINC000424274222 850348165 /nfs/dbraw/zinc/34/81/65/850348165.db2.gz YKIIWIRGBWBIAG-QGZVFWFLSA-N 2 2 387.955 3.947 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c(Cl)c1 ZINC000424274222 850348174 /nfs/dbraw/zinc/34/81/74/850348174.db2.gz YKIIWIRGBWBIAG-QGZVFWFLSA-N 2 2 387.955 3.947 20 0 GHADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Br)ccc1OCc1ccccn1 ZINC000435374413 850423055 /nfs/dbraw/zinc/42/30/55/850423055.db2.gz ITKNSALEMHTLKT-CABCVRRESA-N 2 2 390.325 3.592 20 0 GHADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Br)ccc1OCc1ccccn1 ZINC000435374413 850423064 /nfs/dbraw/zinc/42/30/64/850423064.db2.gz ITKNSALEMHTLKT-CABCVRRESA-N 2 2 390.325 3.592 20 0 GHADLP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000424424912 850459824 /nfs/dbraw/zinc/45/98/24/850459824.db2.gz IWVPXGPQQNRPAY-MOPGFXCFSA-N 2 2 390.890 3.813 20 0 GHADLP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000424424912 850459828 /nfs/dbraw/zinc/45/98/28/850459828.db2.gz IWVPXGPQQNRPAY-MOPGFXCFSA-N 2 2 390.890 3.813 20 0 GHADLP COc1cc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)ccc1OC(C)C ZINC000435423709 850502581 /nfs/dbraw/zinc/50/25/81/850502581.db2.gz VRDKDTDGLGWGQL-GOSISDBHSA-N 2 2 389.565 3.859 20 0 GHADLP COc1cc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)ccc1OC(C)C ZINC000435423709 850502586 /nfs/dbraw/zinc/50/25/86/850502586.db2.gz VRDKDTDGLGWGQL-GOSISDBHSA-N 2 2 389.565 3.859 20 0 GHADLP O=c1[nH]c2ccccc2cc1C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435430287 850514305 /nfs/dbraw/zinc/51/43/05/850514305.db2.gz ZYZNFLOWUPNBGD-SFHVURJKSA-N 2 2 380.517 3.541 20 0 GHADLP O=c1[nH]c2ccccc2cc1C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435430287 850514311 /nfs/dbraw/zinc/51/43/11/850514311.db2.gz ZYZNFLOWUPNBGD-SFHVURJKSA-N 2 2 380.517 3.541 20 0 GHADLP COc1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000435440716 850529206 /nfs/dbraw/zinc/52/92/06/850529206.db2.gz ZDYLWAQHBKUKSR-KRWDZBQOSA-N 2 2 377.941 3.949 20 0 GHADLP COc1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000435440716 850529212 /nfs/dbraw/zinc/52/92/12/850529212.db2.gz ZDYLWAQHBKUKSR-KRWDZBQOSA-N 2 2 377.941 3.949 20 0 GHADLP Cc1ncsc1C[N@@H+](Cc1ccc(Br)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435445236 850534580 /nfs/dbraw/zinc/53/45/80/850534580.db2.gz DKNHKOQFIVMVFW-OAHLLOKOSA-N 2 2 380.355 3.826 20 0 GHADLP Cc1ncsc1C[N@H+](Cc1ccc(Br)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435445236 850534584 /nfs/dbraw/zinc/53/45/84/850534584.db2.gz DKNHKOQFIVMVFW-OAHLLOKOSA-N 2 2 380.355 3.826 20 0 GHADLP CC[N@H+](CC(=O)Nc1c(Cl)cccc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435628440 850724062 /nfs/dbraw/zinc/72/40/62/850724062.db2.gz QUKRHIIOHUDEDG-LBPRGKRZSA-N 2 2 377.838 3.761 20 0 GHADLP CC[N@@H+](CC(=O)Nc1c(Cl)cccc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435628440 850724066 /nfs/dbraw/zinc/72/40/66/850724066.db2.gz QUKRHIIOHUDEDG-LBPRGKRZSA-N 2 2 377.838 3.761 20 0 GHADLP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ncc(Br)cc2Br)cc1 ZINC000414816614 850727661 /nfs/dbraw/zinc/72/76/61/850727661.db2.gz QFFLSNMKHJOEFP-JTQLQIEISA-N 2 2 399.130 3.916 20 0 GHADLP Cc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000515259067 850834925 /nfs/dbraw/zinc/83/49/25/850834925.db2.gz LNSYRXIYYAAHEI-LEWJYISDSA-N 2 2 391.625 3.785 20 0 GHADLP Cc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000515259067 850834938 /nfs/dbraw/zinc/83/49/38/850834938.db2.gz LNSYRXIYYAAHEI-LEWJYISDSA-N 2 2 391.625 3.785 20 0 GHADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)c(OC)c1 ZINC000414844664 851034545 /nfs/dbraw/zinc/03/45/45/851034545.db2.gz LCHHYAXNHNNDSX-JXFKEZNVSA-N 2 2 399.535 3.834 20 0 GHADLP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513993273 851093538 /nfs/dbraw/zinc/09/35/38/851093538.db2.gz ZOHKHPFWELNXFO-NRFANRHFSA-N 2 2 383.923 3.723 20 0 GHADLP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1Cl ZINC000187821185 851267541 /nfs/dbraw/zinc/26/75/41/851267541.db2.gz PHRSNAZONNKFFK-KRWDZBQOSA-N 2 2 389.765 3.990 20 0 GHADLP CC[N@H+](C)Cc1cccc(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000425148510 851495621 /nfs/dbraw/zinc/49/56/21/851495621.db2.gz UARYDNKQMAGAIH-OAQYLSRUSA-N 2 2 376.504 3.700 20 0 GHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000425148510 851495626 /nfs/dbraw/zinc/49/56/26/851495626.db2.gz UARYDNKQMAGAIH-OAQYLSRUSA-N 2 2 376.504 3.700 20 0 GHADLP CC(C)(C)C[C@@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000111243893 851580684 /nfs/dbraw/zinc/58/06/84/851580684.db2.gz OBTFQSSUQHVGGX-HXUWFJFHSA-N 2 2 386.515 3.953 20 0 GHADLP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505504834 851619896 /nfs/dbraw/zinc/61/98/96/851619896.db2.gz GIILXHNDXWFXTJ-JOCHJYFZSA-N 2 2 381.495 3.598 20 0 GHADLP CC[C@H](C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)[N@H+](C)Cc1ccccc1 ZINC000550161675 851768425 /nfs/dbraw/zinc/76/84/25/851768425.db2.gz SDOQTQUXJXBITM-XMSQKQJNSA-N 2 2 376.504 3.960 20 0 GHADLP CC[C@H](C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)[N@@H+](C)Cc1ccccc1 ZINC000550161675 851768438 /nfs/dbraw/zinc/76/84/38/851768438.db2.gz SDOQTQUXJXBITM-XMSQKQJNSA-N 2 2 376.504 3.960 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000180731956 862303311 /nfs/dbraw/zinc/30/33/11/862303311.db2.gz MDODVLLHJJDAGW-GCJKJVERSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000180731956 862303327 /nfs/dbraw/zinc/30/33/27/862303327.db2.gz MDODVLLHJJDAGW-GCJKJVERSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000180731956 862303344 /nfs/dbraw/zinc/30/33/44/862303344.db2.gz MDODVLLHJJDAGW-GCJKJVERSA-N 2 2 381.520 3.585 20 0 GHADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000180731956 862303361 /nfs/dbraw/zinc/30/33/61/862303361.db2.gz MDODVLLHJJDAGW-GCJKJVERSA-N 2 2 381.520 3.585 20 0 GHADLP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426775864 852380973 /nfs/dbraw/zinc/38/09/73/852380973.db2.gz DFEYHDPEEJLQRD-HDICACEKSA-N 2 2 397.563 3.870 20 0 GHADLP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426775864 852380980 /nfs/dbraw/zinc/38/09/80/852380980.db2.gz DFEYHDPEEJLQRD-HDICACEKSA-N 2 2 397.563 3.870 20 0 GHADLP C[NH+]1CCC(CNC(=O)c2c[nH]cc2-c2ccccc2F)([NH+]2CCCCC2)CC1 ZINC000426788040 852398746 /nfs/dbraw/zinc/39/87/46/852398746.db2.gz JTFMBRZIMCTXFJ-UHFFFAOYSA-N 2 2 398.526 3.501 20 0 GHADLP C[C@H](c1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000517855677 852522611 /nfs/dbraw/zinc/52/26/11/852522611.db2.gz GNDDEJIEOODXDK-AUSIDOKSSA-N 2 2 393.531 3.683 20 0 GHADLP C[C@H](c1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000517855677 852522618 /nfs/dbraw/zinc/52/26/18/852522618.db2.gz GNDDEJIEOODXDK-AUSIDOKSSA-N 2 2 393.531 3.683 20 0 GHADLP C[N@H+](CCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)C1CCCC1 ZINC000425677882 852599088 /nfs/dbraw/zinc/59/90/88/852599088.db2.gz VJIUZATZIHNALY-UHFFFAOYSA-N 2 2 381.524 3.882 20 0 GHADLP C[N@@H+](CCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)C1CCCC1 ZINC000425677882 852599090 /nfs/dbraw/zinc/59/90/90/852599090.db2.gz VJIUZATZIHNALY-UHFFFAOYSA-N 2 2 381.524 3.882 20 0 GHADLP CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000517956794 852658055 /nfs/dbraw/zinc/65/80/55/852658055.db2.gz JFBCVNHJNLXBKG-GCJKJVERSA-N 2 2 383.536 3.557 20 0 GHADLP CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000517956794 852658059 /nfs/dbraw/zinc/65/80/59/852658059.db2.gz JFBCVNHJNLXBKG-GCJKJVERSA-N 2 2 383.536 3.557 20 0 GHADLP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000517956794 852658064 /nfs/dbraw/zinc/65/80/64/852658064.db2.gz JFBCVNHJNLXBKG-GCJKJVERSA-N 2 2 383.536 3.557 20 0 GHADLP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000517956794 852658069 /nfs/dbraw/zinc/65/80/69/852658069.db2.gz JFBCVNHJNLXBKG-GCJKJVERSA-N 2 2 383.536 3.557 20 0 GHADLP C[NH+](C)CCOc1ccc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)cc1 ZINC000516600743 852764265 /nfs/dbraw/zinc/76/42/65/852764265.db2.gz CEEZCBVAJGLNRG-UHFFFAOYSA-N 2 2 389.459 3.589 20 0 GHADLP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000439037247 853213226 /nfs/dbraw/zinc/21/32/26/853213226.db2.gz ZGLBYLCLEKWIDD-GOSISDBHSA-N 2 2 381.524 3.834 20 0 GHADLP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439036436 853213280 /nfs/dbraw/zinc/21/32/80/853213280.db2.gz BTHLJTXQQPDAKZ-FUHWJXTLSA-N 2 2 379.508 3.587 20 0 GHADLP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439036436 853213289 /nfs/dbraw/zinc/21/32/89/853213289.db2.gz BTHLJTXQQPDAKZ-FUHWJXTLSA-N 2 2 379.508 3.587 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000437558204 853258426 /nfs/dbraw/zinc/25/84/26/853258426.db2.gz PFOMHGJJIZDWSV-KRWDZBQOSA-N 2 2 391.585 3.515 20 0 GHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000437558204 853258431 /nfs/dbraw/zinc/25/84/31/853258431.db2.gz PFOMHGJJIZDWSV-KRWDZBQOSA-N 2 2 391.585 3.515 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc(OC)c1O ZINC000519666969 853374508 /nfs/dbraw/zinc/37/45/08/853374508.db2.gz CUYFPFWHSCMIGD-NHCUHLMSSA-N 2 2 396.531 3.896 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc(OC)c1O ZINC000519666969 853374520 /nfs/dbraw/zinc/37/45/20/853374520.db2.gz CUYFPFWHSCMIGD-NHCUHLMSSA-N 2 2 396.531 3.896 20 0 GHADLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc(OC)c1O ZINC000519666969 853374529 /nfs/dbraw/zinc/37/45/29/853374529.db2.gz CUYFPFWHSCMIGD-NHCUHLMSSA-N 2 2 396.531 3.896 20 0 GHADLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc(OC)c1O ZINC000519666969 853374539 /nfs/dbraw/zinc/37/45/39/853374539.db2.gz CUYFPFWHSCMIGD-NHCUHLMSSA-N 2 2 396.531 3.896 20 0 GHADLP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000491088991 853446820 /nfs/dbraw/zinc/44/68/20/853446820.db2.gz LOAIYKFDQOXQRC-FQEVSTJZSA-N 2 2 382.527 3.563 20 0 GHADLP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000491088991 853446823 /nfs/dbraw/zinc/44/68/23/853446823.db2.gz LOAIYKFDQOXQRC-FQEVSTJZSA-N 2 2 382.527 3.563 20 0 GHADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426335738 853483611 /nfs/dbraw/zinc/48/36/11/853483611.db2.gz QSEXNKKYWHWMLX-GKJHBJHPSA-N 2 2 395.551 3.674 20 0 GHADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426335738 853483616 /nfs/dbraw/zinc/48/36/16/853483616.db2.gz QSEXNKKYWHWMLX-GKJHBJHPSA-N 2 2 395.551 3.674 20 0 GHADLP [NH3+][C@@H](CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccccc1 ZINC000415593788 853487243 /nfs/dbraw/zinc/48/72/43/853487243.db2.gz HFQWHSFSHDSKNH-FQEVSTJZSA-N 2 2 375.476 3.708 20 0 GHADLP Fc1ccc(Oc2ccnc(C[NH2+]Cc3cc(C4CC[NH2+]CC4)no3)c2)cc1 ZINC000425892476 853516536 /nfs/dbraw/zinc/51/65/36/853516536.db2.gz AZMMIDZNFMEYOI-UHFFFAOYSA-N 2 2 382.439 3.758 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C)C[NH+]2CCCCC2)c(C)c1 ZINC000440843713 853675942 /nfs/dbraw/zinc/67/59/42/853675942.db2.gz LZHBUQVKFYUQDH-SIKLNZKXSA-N 2 2 397.567 3.662 20 0 GHADLP CCC[NH+](CCC)CCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426401068 853702277 /nfs/dbraw/zinc/70/22/77/853702277.db2.gz MWVSDIQFZXNQEC-FGZHOGPDSA-N 2 2 397.567 3.923 20 0 GHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]([C@H](C)c2ccco2)C2CC2)CC1 ZINC000440898533 853730757 /nfs/dbraw/zinc/73/07/57/853730757.db2.gz XVFUBNNMWSKUDO-HXUWFJFHSA-N 2 2 395.547 3.848 20 0 GHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]([C@H](C)c2ccco2)C2CC2)CC1 ZINC000440898533 853730766 /nfs/dbraw/zinc/73/07/66/853730766.db2.gz XVFUBNNMWSKUDO-HXUWFJFHSA-N 2 2 395.547 3.848 20 0 GHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]([C@H](C)c2ccco2)C2CC2)CC1 ZINC000440898533 853730774 /nfs/dbraw/zinc/73/07/74/853730774.db2.gz XVFUBNNMWSKUDO-HXUWFJFHSA-N 2 2 395.547 3.848 20 0 GHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]([C@H](C)c2ccco2)C2CC2)CC1 ZINC000440898533 853730780 /nfs/dbraw/zinc/73/07/80/853730780.db2.gz XVFUBNNMWSKUDO-HXUWFJFHSA-N 2 2 395.547 3.848 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623890508 862503519 /nfs/dbraw/zinc/50/35/19/862503519.db2.gz OBSYCPWCLQAPNM-LAUBAEHRSA-N 2 2 399.560 3.622 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623890508 862503533 /nfs/dbraw/zinc/50/35/33/862503533.db2.gz OBSYCPWCLQAPNM-LAUBAEHRSA-N 2 2 399.560 3.622 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2ccnn2C(C)C)c(C)c1 ZINC000441390653 854171576 /nfs/dbraw/zinc/17/15/76/854171576.db2.gz YBIIWKRSZQMXQS-ICSRJNTNSA-N 2 2 394.523 3.635 20 0 GHADLP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(OCCC)c1 ZINC000765793501 854826239 /nfs/dbraw/zinc/82/62/39/854826239.db2.gz ZAFHRDJTKBMQOC-BJLQDIEVSA-N 2 2 376.541 3.778 20 0 GHADLP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c(OCCC)c1 ZINC000765793501 854826243 /nfs/dbraw/zinc/82/62/43/854826243.db2.gz ZAFHRDJTKBMQOC-BJLQDIEVSA-N 2 2 376.541 3.778 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000482014633 862631319 /nfs/dbraw/zinc/63/13/19/862631319.db2.gz HMSZAETVTJSTKD-QZTJIDSGSA-N 2 2 396.000 3.799 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000482014633 862631323 /nfs/dbraw/zinc/63/13/23/862631323.db2.gz HMSZAETVTJSTKD-QZTJIDSGSA-N 2 2 396.000 3.799 20 0 GHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000624086513 862635060 /nfs/dbraw/zinc/63/50/60/862635060.db2.gz JBEMOMUIGRFTGV-YDHSSHFGSA-N 2 2 395.547 3.817 20 0 GHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000624086513 862635063 /nfs/dbraw/zinc/63/50/63/862635063.db2.gz JBEMOMUIGRFTGV-YDHSSHFGSA-N 2 2 395.547 3.817 20 0 GHADLP Cc1cccc([C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c2cccc(F)c2)c1 ZINC000510696563 855529901 /nfs/dbraw/zinc/52/99/01/855529901.db2.gz RGCWYJDYAKJBNV-DEOSSOPVSA-N 2 2 397.538 3.756 20 0 GHADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000573042692 855700770 /nfs/dbraw/zinc/70/07/70/855700770.db2.gz COGISHBDNQZPFD-UHFFFAOYSA-N 2 2 380.536 3.802 20 0 GHADLP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000645412474 855840959 /nfs/dbraw/zinc/84/09/59/855840959.db2.gz SAVBQDVLWAZIRN-GZGNHOFSSA-N 2 2 392.591 3.622 20 0 GHADLP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000645412474 855840966 /nfs/dbraw/zinc/84/09/66/855840966.db2.gz SAVBQDVLWAZIRN-GZGNHOFSSA-N 2 2 392.591 3.622 20 0 GHADLP C[C@@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000499425592 856133691 /nfs/dbraw/zinc/13/36/91/856133691.db2.gz CXJBWPJYCBLXHQ-UXHICEINSA-N 2 2 388.515 3.666 20 0 GHADLP C[C@@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000499425592 856133699 /nfs/dbraw/zinc/13/36/99/856133699.db2.gz CXJBWPJYCBLXHQ-UXHICEINSA-N 2 2 388.515 3.666 20 0 GHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 ZINC000573476281 856249242 /nfs/dbraw/zinc/24/92/42/856249242.db2.gz SBVFKOQDCHDXPO-FGTMMUONSA-N 2 2 376.287 3.833 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000429228975 856299735 /nfs/dbraw/zinc/29/97/35/856299735.db2.gz VECZEGWPXGWPKG-UHFFFAOYSA-N 2 2 377.554 3.540 20 0 GHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000429228975 856299749 /nfs/dbraw/zinc/29/97/49/856299749.db2.gz VECZEGWPXGWPKG-UHFFFAOYSA-N 2 2 377.554 3.540 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(C)c1 ZINC000624782259 856355381 /nfs/dbraw/zinc/35/53/81/856355381.db2.gz HNNJYQAUYOEQKJ-IRLDBZIGSA-N 2 2 395.551 3.557 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c(C)c1 ZINC000624782259 856355384 /nfs/dbraw/zinc/35/53/84/856355384.db2.gz HNNJYQAUYOEQKJ-IRLDBZIGSA-N 2 2 395.551 3.557 20 0 GHADLP CCCCCOc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000568917668 856394191 /nfs/dbraw/zinc/39/41/91/856394191.db2.gz AZVCKZYYBIVUDO-AIZNXBIQSA-N 2 2 385.596 3.998 20 0 GHADLP CCCCCOc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000568917668 856394196 /nfs/dbraw/zinc/39/41/96/856394196.db2.gz AZVCKZYYBIVUDO-AIZNXBIQSA-N 2 2 385.596 3.998 20 0 GHADLP Cc1ccc2nc(NC(=O)C[NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)sc2c1 ZINC000185685582 856418991 /nfs/dbraw/zinc/41/89/91/856418991.db2.gz YCERJGUZBFMRQU-CVEARBPZSA-N 2 2 386.565 3.786 20 0 GHADLP Cc1ccc2nc(NC(=O)C[NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)sc2c1 ZINC000185685582 856419005 /nfs/dbraw/zinc/41/90/05/856419005.db2.gz YCERJGUZBFMRQU-CVEARBPZSA-N 2 2 386.565 3.786 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCCc2ccc3c(c2)CCO3)[C@@H]1c1cnn(C)c1 ZINC000482244596 862846838 /nfs/dbraw/zinc/84/68/38/862846838.db2.gz IMKLNJPBVYYBSU-XUZZJYLKSA-N 2 2 396.579 3.693 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCCc2ccc3c(c2)CCO3)[C@@H]1c1cnn(C)c1 ZINC000482244596 862846855 /nfs/dbraw/zinc/84/68/55/862846855.db2.gz IMKLNJPBVYYBSU-XUZZJYLKSA-N 2 2 396.579 3.693 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000245404638 856827423 /nfs/dbraw/zinc/82/74/23/856827423.db2.gz PXHHZDBQMVINTH-HYFFOGBASA-N 2 2 383.511 3.620 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000245404638 856827427 /nfs/dbraw/zinc/82/74/27/856827427.db2.gz PXHHZDBQMVINTH-HYFFOGBASA-N 2 2 383.511 3.620 20 0 GHADLP Cc1ccc([C@@H]([NH2+]CC2([NH3+])CCCC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000665247925 856828804 /nfs/dbraw/zinc/82/88/04/856828804.db2.gz LWKCPDIGHRQLFM-NRFANRHFSA-N 2 2 386.561 3.657 20 0 GHADLP C[NH+]1CCC(CNC(=O)N[C@H](c2ccccc2)C2CCC2)([NH+]2CCCCC2)CC1 ZINC000465908712 856883335 /nfs/dbraw/zinc/88/33/35/856883335.db2.gz WMCPQLXCXFEBRM-JOCHJYFZSA-N 2 2 398.595 3.777 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCCc2ccc3c(c2)CCO3)[C@@H]1c1cnn(C)c1 ZINC000482244596 862846807 /nfs/dbraw/zinc/84/68/07/862846807.db2.gz IMKLNJPBVYYBSU-XUZZJYLKSA-N 2 2 396.579 3.693 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCCc2ccc3c(c2)CCO3)[C@@H]1c1cnn(C)c1 ZINC000482244596 862846821 /nfs/dbraw/zinc/84/68/21/862846821.db2.gz IMKLNJPBVYYBSU-XUZZJYLKSA-N 2 2 396.579 3.693 20 0 GHADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@H]2Cc3cccc(Cl)c3C2)cs1 ZINC001168691521 856932705 /nfs/dbraw/zinc/93/27/05/856932705.db2.gz PLSSMIXSSVJBMK-AWEZNQCLSA-N 2 2 381.998 3.848 20 0 GHADLP COCCc1nc(C)c([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)s1 ZINC000181378292 862854389 /nfs/dbraw/zinc/85/43/89/862854389.db2.gz SPEJPEFWGADOEQ-MRXNPFEDSA-N 2 2 384.549 3.779 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+]3CCC[C@H]3C3CCC3)n2)CC1 ZINC000428209058 857209886 /nfs/dbraw/zinc/20/98/86/857209886.db2.gz ROIOLIWHWRXOMD-SFHVURJKSA-N 2 2 376.570 3.578 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+]3CCC[C@H]3C3CCC3)n2)CC1 ZINC000428209058 857209893 /nfs/dbraw/zinc/20/98/93/857209893.db2.gz ROIOLIWHWRXOMD-SFHVURJKSA-N 2 2 376.570 3.578 20 0 GHADLP C[C@@H]1CC([NH2+]CC(=O)N2CCc3ccccc32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012366 857358086 /nfs/dbraw/zinc/35/80/86/857358086.db2.gz ZEOJSJMIGRYOKX-RTBURBONSA-N 2 2 377.532 3.607 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188908 862909062 /nfs/dbraw/zinc/90/90/62/862909062.db2.gz LNUWFEXOICEMIT-OXQOHEQNSA-N 2 2 377.960 3.684 20 0 GHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624188908 862909075 /nfs/dbraw/zinc/90/90/75/862909075.db2.gz LNUWFEXOICEMIT-OXQOHEQNSA-N 2 2 377.960 3.684 20 0 GHADLP CCC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC1CCCCC1 ZINC000060495596 857447054 /nfs/dbraw/zinc/44/70/54/857447054.db2.gz FHBCFRFKHWUUCY-UHFFFAOYSA-N 2 2 387.568 3.750 20 0 GHADLP CCC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC1CCCCC1 ZINC000060495596 857447063 /nfs/dbraw/zinc/44/70/63/857447063.db2.gz FHBCFRFKHWUUCY-UHFFFAOYSA-N 2 2 387.568 3.750 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000593292487 857455263 /nfs/dbraw/zinc/45/52/63/857455263.db2.gz AGOFDPGBRGPIBQ-IFMALSPDSA-N 2 2 396.535 3.673 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000593292487 857455268 /nfs/dbraw/zinc/45/52/68/857455268.db2.gz AGOFDPGBRGPIBQ-IFMALSPDSA-N 2 2 396.535 3.673 20 0 GHADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000672578858 857494438 /nfs/dbraw/zinc/49/44/38/857494438.db2.gz ANXAZWBLFVUOQG-SLYNCCJLSA-N 2 2 397.588 3.910 20 0 GHADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000672578858 857494446 /nfs/dbraw/zinc/49/44/46/857494446.db2.gz ANXAZWBLFVUOQG-SLYNCCJLSA-N 2 2 397.588 3.910 20 0 GHADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC(C)(C)[C@H]1c1cccs1 ZINC000672578858 857494451 /nfs/dbraw/zinc/49/44/51/857494451.db2.gz ANXAZWBLFVUOQG-SLYNCCJLSA-N 2 2 397.588 3.910 20 0 GHADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC(C)(C)[C@H]1c1cccs1 ZINC000672578858 857494458 /nfs/dbraw/zinc/49/44/58/857494458.db2.gz ANXAZWBLFVUOQG-SLYNCCJLSA-N 2 2 397.588 3.910 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000675786948 857613212 /nfs/dbraw/zinc/61/32/12/857613212.db2.gz MMLDPXBKTBWNPS-XWGVYQGASA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000675786948 857613215 /nfs/dbraw/zinc/61/32/15/857613215.db2.gz MMLDPXBKTBWNPS-XWGVYQGASA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000675786948 857613220 /nfs/dbraw/zinc/61/32/20/857613220.db2.gz MMLDPXBKTBWNPS-XWGVYQGASA-N 3 2 387.612 3.625 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000675786948 857613224 /nfs/dbraw/zinc/61/32/24/857613224.db2.gz MMLDPXBKTBWNPS-XWGVYQGASA-N 3 2 387.612 3.625 20 0 GHADLP Cc1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc(C)c1Cl ZINC000442467919 857874890 /nfs/dbraw/zinc/87/48/90/857874890.db2.gz BVDVTGPNEZTTNB-UHFFFAOYSA-N 2 2 378.948 3.637 20 0 GHADLP CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000521338496 857881478 /nfs/dbraw/zinc/88/14/78/857881478.db2.gz OLRYYCDRVGQXEZ-UHFFFAOYSA-N 2 2 397.544 3.733 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676478296 857898853 /nfs/dbraw/zinc/89/88/53/857898853.db2.gz SCJIKXJFITXLJV-NJNPRVFISA-N 2 2 376.504 3.939 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676478296 857898860 /nfs/dbraw/zinc/89/88/60/857898860.db2.gz SCJIKXJFITXLJV-NJNPRVFISA-N 2 2 376.504 3.939 20 0 GHADLP CN(C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)C(c1ccccc1)c1ccccc1 ZINC000676479419 857910126 /nfs/dbraw/zinc/91/01/26/857910126.db2.gz TWPJGNIDFMCOLJ-QFIPXVFZSA-N 2 2 388.515 3.768 20 0 GHADLP CN(C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)C(c1ccccc1)c1ccccc1 ZINC000676479419 857910132 /nfs/dbraw/zinc/91/01/32/857910132.db2.gz TWPJGNIDFMCOLJ-QFIPXVFZSA-N 2 2 388.515 3.768 20 0 GHADLP C[C@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C[C@H]1n1cc[nH+]c1 ZINC000443067701 858336337 /nfs/dbraw/zinc/33/63/37/858336337.db2.gz UNDLBYLVDZOMFS-IEEQIXEPSA-N 2 2 392.547 3.595 20 0 GHADLP C[C@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C[C@H]1n1cc[nH+]c1 ZINC000443067701 858336343 /nfs/dbraw/zinc/33/63/43/858336343.db2.gz UNDLBYLVDZOMFS-IEEQIXEPSA-N 2 2 392.547 3.595 20 0 GHADLP CCC[C@]1(C)CCCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000466156795 858518058 /nfs/dbraw/zinc/51/80/58/858518058.db2.gz GYUIYPYUIDDBOE-OAQYLSRUSA-N 2 2 378.605 3.549 20 0 GHADLP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000183702598 858801579 /nfs/dbraw/zinc/80/15/79/858801579.db2.gz RMZRBNDPCNYYGN-SVFBPWRDSA-N 2 2 396.531 3.942 20 0 GHADLP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000183702598 858801588 /nfs/dbraw/zinc/80/15/88/858801588.db2.gz RMZRBNDPCNYYGN-SVFBPWRDSA-N 2 2 396.531 3.942 20 0 GHADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(Br)o3)C2)ccn1 ZINC000856551352 881367383 /nfs/dbraw/zinc/36/73/83/881367383.db2.gz PYGHWXFRAMSTQK-KRWDZBQOSA-N 2 2 394.313 3.542 20 0 GHADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(Br)o3)C2)ccn1 ZINC000856551352 881367405 /nfs/dbraw/zinc/36/74/05/881367405.db2.gz PYGHWXFRAMSTQK-KRWDZBQOSA-N 2 2 394.313 3.542 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(Br)o3)C2)ccn1 ZINC000856551352 881367426 /nfs/dbraw/zinc/36/74/26/881367426.db2.gz PYGHWXFRAMSTQK-KRWDZBQOSA-N 2 2 394.313 3.542 20 0 GHADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(Br)o3)C2)ccn1 ZINC000856551352 881367447 /nfs/dbraw/zinc/36/74/47/881367447.db2.gz PYGHWXFRAMSTQK-KRWDZBQOSA-N 2 2 394.313 3.542 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543238120 858989846 /nfs/dbraw/zinc/98/98/46/858989846.db2.gz FCRMMJQXODCNTF-GHTZIAJQSA-N 3 2 375.520 3.576 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543238120 858989854 /nfs/dbraw/zinc/98/98/54/858989854.db2.gz FCRMMJQXODCNTF-GHTZIAJQSA-N 3 2 375.520 3.576 20 0 GHADLP CNc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000625929979 859177149 /nfs/dbraw/zinc/17/71/49/859177149.db2.gz DNMSUZYMHDENHB-RTWAWAEBSA-N 2 2 387.572 3.529 20 0 GHADLP CNc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000625929979 859177154 /nfs/dbraw/zinc/17/71/54/859177154.db2.gz DNMSUZYMHDENHB-RTWAWAEBSA-N 2 2 387.572 3.529 20 0 GHADLP O=C(C[N@H+](CC1CC1)C1CCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000069078973 859332437 /nfs/dbraw/zinc/33/24/37/859332437.db2.gz LDRMQKUQPRZVTN-UHFFFAOYSA-N 2 2 385.552 3.502 20 0 GHADLP O=C(C[N@@H+](CC1CC1)C1CCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000069078973 859332446 /nfs/dbraw/zinc/33/24/46/859332446.db2.gz LDRMQKUQPRZVTN-UHFFFAOYSA-N 2 2 385.552 3.502 20 0 GHADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000069162855 859372627 /nfs/dbraw/zinc/37/26/27/859372627.db2.gz GIDUYHPEBSOSPJ-JOCHJYFZSA-N 2 2 383.511 3.777 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(O)c3Cl)C2)ccn1 ZINC000856558173 881424486 /nfs/dbraw/zinc/42/44/86/881424486.db2.gz GRNPSVSZZRBTAE-IBGZPJMESA-N 2 2 389.927 3.934 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(O)c3Cl)C2)ccn1 ZINC000856558173 881424496 /nfs/dbraw/zinc/42/44/96/881424496.db2.gz GRNPSVSZZRBTAE-IBGZPJMESA-N 2 2 389.927 3.934 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc(O)c3Cl)C2)ccn1 ZINC000856558173 881424503 /nfs/dbraw/zinc/42/45/03/881424503.db2.gz GRNPSVSZZRBTAE-IBGZPJMESA-N 2 2 389.927 3.934 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc(O)c3Cl)C2)ccn1 ZINC000856558173 881424511 /nfs/dbraw/zinc/42/45/11/881424511.db2.gz GRNPSVSZZRBTAE-IBGZPJMESA-N 2 2 389.927 3.934 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)c1nc(-c2ccncc2)cs1 ZINC000543415108 859628348 /nfs/dbraw/zinc/62/83/48/859628348.db2.gz WUQOTVHLWFVPRR-OAHLLOKOSA-N 2 2 376.489 3.945 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3c(Cl)cccc3OC(F)F)C2)CC1 ZINC000611276264 859678226 /nfs/dbraw/zinc/67/82/26/859678226.db2.gz ILMPWELZLJNHAH-HNNXBMFYSA-N 2 2 387.902 3.542 20 0 GHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(Cl)cccc3OC(F)F)C2)CC1 ZINC000611276264 859678228 /nfs/dbraw/zinc/67/82/28/859678228.db2.gz ILMPWELZLJNHAH-HNNXBMFYSA-N 2 2 387.902 3.542 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1ccco1 ZINC000474300314 859779646 /nfs/dbraw/zinc/77/96/46/859779646.db2.gz AVXCPDNRXOMLKW-PMACEKPBSA-N 2 2 387.499 3.582 20 0 GHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1ccco1 ZINC000474300314 859779659 /nfs/dbraw/zinc/77/96/59/859779659.db2.gz AVXCPDNRXOMLKW-PMACEKPBSA-N 2 2 387.499 3.582 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(OC(F)(F)F)c1 ZINC000484142649 859830728 /nfs/dbraw/zinc/83/07/28/859830728.db2.gz SNNCADVMCUXXEB-UZLBHIALSA-N 2 2 394.437 3.873 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC(F)(F)F)c1 ZINC000484142649 859830730 /nfs/dbraw/zinc/83/07/30/859830730.db2.gz SNNCADVMCUXXEB-UZLBHIALSA-N 2 2 394.437 3.873 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(F)c(F)c(F)c1 ZINC000484149221 859836528 /nfs/dbraw/zinc/83/65/28/859836528.db2.gz VWTDQGCQBZZTQE-NQYLQCIDSA-N 2 2 378.438 3.638 20 0 GHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(F)c(F)c(F)c1 ZINC000484149221 859836538 /nfs/dbraw/zinc/83/65/38/859836538.db2.gz VWTDQGCQBZZTQE-NQYLQCIDSA-N 2 2 378.438 3.638 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(OC(F)F)c1 ZINC000484148823 859836907 /nfs/dbraw/zinc/83/69/07/859836907.db2.gz USQDAVUNWMNCLS-NBHGPNQESA-N 2 2 390.474 3.822 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(OC(F)F)c1 ZINC000484148823 859836915 /nfs/dbraw/zinc/83/69/15/859836915.db2.gz USQDAVUNWMNCLS-NBHGPNQESA-N 2 2 390.474 3.822 20 0 GHADLP O[C@@]1(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000484137282 859845545 /nfs/dbraw/zinc/84/55/45/859845545.db2.gz CSZBWIXUUFMWOO-IFMALSPDSA-N 2 2 386.923 3.780 20 0 GHADLP O[C@@]1(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484137282 859845548 /nfs/dbraw/zinc/84/55/48/859845548.db2.gz CSZBWIXUUFMWOO-IFMALSPDSA-N 2 2 386.923 3.780 20 0 GHADLP CCO/C=C/[C@](O)(C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000895716150 859860324 /nfs/dbraw/zinc/86/03/24/859860324.db2.gz GVIWYJNEHDLYSX-XFRLAJBVSA-N 2 2 398.469 3.788 20 0 GHADLP CCO/C=C/[C@](O)(C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000895716150 859860331 /nfs/dbraw/zinc/86/03/31/859860331.db2.gz GVIWYJNEHDLYSX-XFRLAJBVSA-N 2 2 398.469 3.788 20 0 GHADLP CN(C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)C(=O)OC(C)(C)C ZINC000727138090 859946473 /nfs/dbraw/zinc/94/64/73/859946473.db2.gz OWSIDJOFSNRNJJ-IBGZPJMESA-N 2 2 384.524 3.951 20 0 GHADLP CN(C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)C(=O)OC(C)(C)C ZINC000727138090 859946481 /nfs/dbraw/zinc/94/64/81/859946481.db2.gz OWSIDJOFSNRNJJ-IBGZPJMESA-N 2 2 384.524 3.951 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCN3CCCc4ccccc43)CC2)cc1 ZINC000765417376 859960452 /nfs/dbraw/zinc/96/04/52/859960452.db2.gz STKPVEWBYVUCLP-UHFFFAOYSA-N 2 2 378.564 3.764 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](CC3CC3)C3CCC3)n2)CC1 ZINC000428947522 860483290 /nfs/dbraw/zinc/48/32/90/860483290.db2.gz PAOQSXBCQGWSHX-UHFFFAOYSA-N 2 2 376.570 3.578 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](CC3CC3)C3CCC3)n2)CC1 ZINC000428947522 860483299 /nfs/dbraw/zinc/48/32/99/860483299.db2.gz PAOQSXBCQGWSHX-UHFFFAOYSA-N 2 2 376.570 3.578 20 0 GHADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3ccccc3CC[NH+](C)C)cn2c1 ZINC000474633978 860548136 /nfs/dbraw/zinc/54/81/36/860548136.db2.gz KZYJKVLZLJRHQU-UHFFFAOYSA-N 2 2 382.533 3.619 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000598967666 860695601 /nfs/dbraw/zinc/69/56/01/860695601.db2.gz MEEXDRIECYDUQG-ROUUACIJSA-N 2 2 394.581 3.561 20 0 GHADLP C[C@H]1CC(N2CC[NH+](Cc3cccnc3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041789 860791523 /nfs/dbraw/zinc/79/15/23/860791523.db2.gz VLMICCRODZRPPF-SFTDATJTSA-N 2 2 378.564 3.641 20 0 GHADLP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(-n2cncn2)c1 ZINC000474821281 860815902 /nfs/dbraw/zinc/81/59/02/860815902.db2.gz KREQKPVXJVFGSB-FQEVSTJZSA-N 2 2 381.911 3.675 20 0 GHADLP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c(-n2cncn2)c1 ZINC000474821281 860815913 /nfs/dbraw/zinc/81/59/13/860815913.db2.gz KREQKPVXJVFGSB-FQEVSTJZSA-N 2 2 381.911 3.675 20 0 GHADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000555430411 860878063 /nfs/dbraw/zinc/87/80/63/860878063.db2.gz ZAQVFZOYBSMJJS-VLCRHTCISA-N 2 2 392.632 3.934 20 0 GHADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000555430411 860878070 /nfs/dbraw/zinc/87/80/70/860878070.db2.gz ZAQVFZOYBSMJJS-VLCRHTCISA-N 2 2 392.632 3.934 20 0 GHADLP CCOC(=O)c1cccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000600118906 861027153 /nfs/dbraw/zinc/02/71/53/861027153.db2.gz FHYPFMNZOPYWGG-RXVVDRJESA-N 2 2 381.520 3.743 20 0 GHADLP CCOC(=O)c1cccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000600118906 861027156 /nfs/dbraw/zinc/02/71/56/861027156.db2.gz FHYPFMNZOPYWGG-RXVVDRJESA-N 2 2 381.520 3.743 20 0 GHADLP CCOC(=O)c1cccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000600118906 861027163 /nfs/dbraw/zinc/02/71/63/861027163.db2.gz FHYPFMNZOPYWGG-RXVVDRJESA-N 2 2 381.520 3.743 20 0 GHADLP CCOC(=O)c1cccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000600118906 861027169 /nfs/dbraw/zinc/02/71/69/861027169.db2.gz FHYPFMNZOPYWGG-RXVVDRJESA-N 2 2 381.520 3.743 20 0 GHADLP Clc1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)ccc1-c1ccccc1 ZINC000623420858 861040418 /nfs/dbraw/zinc/04/04/18/861040418.db2.gz QNSHTAFWLMKQHU-OAQYLSRUSA-N 2 2 399.966 3.503 20 0 GHADLP O=C(Nc1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1)c1ccc(Cl)cc1 ZINC000494389062 881625849 /nfs/dbraw/zinc/62/58/49/881625849.db2.gz BMWBRBTWRFRCEH-SFHVURJKSA-N 2 2 380.879 3.893 20 0 GHADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000074319824 881676427 /nfs/dbraw/zinc/67/64/27/881676427.db2.gz WNYICMWMFPOAIJ-UHFFFAOYSA-N 2 2 376.932 3.520 20 0 GHADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000074319824 881676430 /nfs/dbraw/zinc/67/64/30/881676430.db2.gz WNYICMWMFPOAIJ-UHFFFAOYSA-N 2 2 376.932 3.520 20 0 GHADLP Cc1cn2cc(NC(=O)N(CC[NH+](C)C)Cc3ccc(F)c(F)c3)ccc2[nH+]1 ZINC000606569596 863711856 /nfs/dbraw/zinc/71/18/56/863711856.db2.gz IVSMRQLCLIPZOK-UHFFFAOYSA-N 2 2 387.434 3.517 20 0 GHADLP C[N@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000667599119 863886444 /nfs/dbraw/zinc/88/64/44/863886444.db2.gz MONNGGLSPXEBQH-XMMPIXPASA-N 2 2 380.532 3.951 20 0 GHADLP C[N@@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000667599119 863886460 /nfs/dbraw/zinc/88/64/60/863886460.db2.gz MONNGGLSPXEBQH-XMMPIXPASA-N 2 2 380.532 3.951 20 0 GHADLP Cc1cn2cc(NC(=O)NC[C@H](c3ccc(OC(C)C)cc3)[NH+](C)C)ccc2[nH+]1 ZINC000554224439 863888161 /nfs/dbraw/zinc/88/81/61/863888161.db2.gz DXMUXWAJRJYZHQ-HXUWFJFHSA-N 2 2 395.507 3.854 20 0 GHADLP CC[N@@H+](Cc1c(C(F)(F)F)cnn1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000667659562 864472417 /nfs/dbraw/zinc/47/24/17/864472417.db2.gz LBRMZIWQADYBQC-UHFFFAOYSA-N 2 2 381.446 3.572 20 0 GHADLP CC[N@H+](Cc1c(C(F)(F)F)cnn1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000667659562 864472427 /nfs/dbraw/zinc/47/24/27/864472427.db2.gz LBRMZIWQADYBQC-UHFFFAOYSA-N 2 2 381.446 3.572 20 0 GHADLP CC[N@@H+](Cc1cc(C(F)(F)F)nn1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000667659693 864496561 /nfs/dbraw/zinc/49/65/61/864496561.db2.gz PPLGXZLARASOMI-UHFFFAOYSA-N 2 2 381.446 3.572 20 0 GHADLP CC[N@H+](Cc1cc(C(F)(F)F)nn1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000667659693 864496566 /nfs/dbraw/zinc/49/65/66/864496566.db2.gz PPLGXZLARASOMI-UHFFFAOYSA-N 2 2 381.446 3.572 20 0 GHADLP COc1cc(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cc(OC)c1OC ZINC000494481490 881779978 /nfs/dbraw/zinc/77/99/78/881779978.db2.gz ALXAMJYARBVAEU-HSZRJFAPSA-N 2 2 384.520 3.857 20 0 GHADLP COc1cc(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cc(OC)c1OC ZINC000494481490 881779988 /nfs/dbraw/zinc/77/99/88/881779988.db2.gz ALXAMJYARBVAEU-HSZRJFAPSA-N 2 2 384.520 3.857 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000165541630 864681912 /nfs/dbraw/zinc/68/19/12/864681912.db2.gz FVPBIOCZFRZWMF-ZWKOTPCHSA-N 2 2 378.586 3.857 20 0 GHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000165541630 864681917 /nfs/dbraw/zinc/68/19/17/864681917.db2.gz FVPBIOCZFRZWMF-ZWKOTPCHSA-N 2 2 378.586 3.857 20 0 GHADLP C[N@@H+]1CCN(CCC[NH2+]Cc2occc2Br)[C@@H](c2ccccc2)C1 ZINC000735320916 864721947 /nfs/dbraw/zinc/72/19/47/864721947.db2.gz RRDOWLJAIIWEPZ-GOSISDBHSA-N 2 2 392.341 3.511 20 0 GHADLP C[N@H+]1CCN(CCC[NH2+]Cc2occc2Br)[C@@H](c2ccccc2)C1 ZINC000735320916 864721964 /nfs/dbraw/zinc/72/19/64/864721964.db2.gz RRDOWLJAIIWEPZ-GOSISDBHSA-N 2 2 392.341 3.511 20 0 GHADLP c1nc(-c2ccncc2)sc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475343295 864820343 /nfs/dbraw/zinc/82/03/43/864820343.db2.gz OYSIXAOTELGNNW-BGYRXZFFSA-N 2 2 376.529 3.769 20 0 GHADLP c1nc(-c2ccncc2)sc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475343295 864820363 /nfs/dbraw/zinc/82/03/63/864820363.db2.gz OYSIXAOTELGNNW-BGYRXZFFSA-N 2 2 376.529 3.769 20 0 GHADLP c1nc(-c2ccncc2)sc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475343295 864820384 /nfs/dbraw/zinc/82/03/84/864820384.db2.gz OYSIXAOTELGNNW-BGYRXZFFSA-N 2 2 376.529 3.769 20 0 GHADLP c1nc(-c2ccncc2)sc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475343295 864820398 /nfs/dbraw/zinc/82/03/98/864820398.db2.gz OYSIXAOTELGNNW-BGYRXZFFSA-N 2 2 376.529 3.769 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000475366615 864870256 /nfs/dbraw/zinc/87/02/56/864870256.db2.gz DAMYBJLCAKWPPD-UHFFFAOYSA-N 2 2 389.628 3.858 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000475366615 864870270 /nfs/dbraw/zinc/87/02/70/864870270.db2.gz DAMYBJLCAKWPPD-UHFFFAOYSA-N 2 2 389.628 3.858 20 0 GHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CC[C@@H]3CCCC[NH+]3C)n2)C1 ZINC000608267174 865130005 /nfs/dbraw/zinc/13/00/05/865130005.db2.gz BPFUMIOWPBAXDK-AEFFLSMTSA-N 2 2 393.601 3.713 20 0 GHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CC[C@@H]3CCCC[NH+]3C)n2)C1 ZINC000608267174 865130013 /nfs/dbraw/zinc/13/00/13/865130013.db2.gz BPFUMIOWPBAXDK-AEFFLSMTSA-N 2 2 393.601 3.713 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)n2)C1 ZINC000608267174 865130016 /nfs/dbraw/zinc/13/00/16/865130016.db2.gz BPFUMIOWPBAXDK-AEFFLSMTSA-N 2 2 393.601 3.713 20 0 GHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)n2)C1 ZINC000608267174 865130021 /nfs/dbraw/zinc/13/00/21/865130021.db2.gz BPFUMIOWPBAXDK-AEFFLSMTSA-N 2 2 393.601 3.713 20 0 GHADLP CC[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C)cc1 ZINC000171110951 865150068 /nfs/dbraw/zinc/15/00/68/865150068.db2.gz HPYNOGLBBFRODJ-JOCHJYFZSA-N 2 2 381.520 3.507 20 0 GHADLP COc1c[nH+]ccc1N1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000481051106 865744225 /nfs/dbraw/zinc/74/42/25/865744225.db2.gz BTWPVKHEROVGDF-UHFFFAOYSA-N 2 2 399.292 3.728 20 0 GHADLP CC[NH+]1CCN(C[C@@H](C)CNc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000302616606 865860786 /nfs/dbraw/zinc/86/07/86/865860786.db2.gz CPCCXUOAQXPUMQ-HNNXBMFYSA-N 2 2 391.357 3.683 20 0 GHADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000174090377 865876528 /nfs/dbraw/zinc/87/65/28/865876528.db2.gz QTMZTSOBPVOQHN-FQEVSTJZSA-N 2 2 390.531 3.646 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)NC(=O)CO3)CC[N@@H+]1Cc1ccccc1 ZINC000508483507 865899532 /nfs/dbraw/zinc/89/95/32/865899532.db2.gz KRFMBKJBSDKYNR-PXNSSMCTSA-N 2 2 379.504 3.502 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)NC(=O)CO3)CC[N@H+]1Cc1ccccc1 ZINC000508483507 865899550 /nfs/dbraw/zinc/89/95/50/865899550.db2.gz KRFMBKJBSDKYNR-PXNSSMCTSA-N 2 2 379.504 3.502 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)NC(=O)CO3)CC[NH+]1Cc1ccccc1 ZINC000508483507 865899564 /nfs/dbraw/zinc/89/95/64/865899564.db2.gz KRFMBKJBSDKYNR-PXNSSMCTSA-N 2 2 379.504 3.502 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)NC(=O)CO3)CC[NH+]1Cc1ccccc1 ZINC000508483507 865899580 /nfs/dbraw/zinc/89/95/80/865899580.db2.gz KRFMBKJBSDKYNR-PXNSSMCTSA-N 2 2 379.504 3.502 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000481169488 865912315 /nfs/dbraw/zinc/91/23/15/865912315.db2.gz CDYSYQRJPMMGDY-KEXUJGGDSA-N 2 2 397.538 3.892 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000481169488 865912318 /nfs/dbraw/zinc/91/23/18/865912318.db2.gz CDYSYQRJPMMGDY-KEXUJGGDSA-N 2 2 397.538 3.892 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000481177883 865931743 /nfs/dbraw/zinc/93/17/43/865931743.db2.gz RGYVPFRITFIOJT-WMZOPIPTSA-N 2 2 394.544 3.735 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000481177883 865931749 /nfs/dbraw/zinc/93/17/49/865931749.db2.gz RGYVPFRITFIOJT-WMZOPIPTSA-N 2 2 394.544 3.735 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481182372 865943312 /nfs/dbraw/zinc/94/33/12/865943312.db2.gz BKCDFSRQFRWCTM-DYXWJJEUSA-N 2 2 395.547 3.831 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481182372 865943322 /nfs/dbraw/zinc/94/33/22/865943322.db2.gz BKCDFSRQFRWCTM-DYXWJJEUSA-N 2 2 395.547 3.831 20 0 GHADLP C[C@H](CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000481181753 865944669 /nfs/dbraw/zinc/94/46/69/865944669.db2.gz NONGXBACRCZLQV-MDAIXWLXSA-N 2 2 393.575 3.795 20 0 GHADLP C[C@H](CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000481181753 865944680 /nfs/dbraw/zinc/94/46/80/865944680.db2.gz NONGXBACRCZLQV-MDAIXWLXSA-N 2 2 393.575 3.795 20 0 GHADLP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3ccccc3-n3cc[nH+]c3)C2)CC1 ZINC000103310282 866039096 /nfs/dbraw/zinc/03/90/96/866039096.db2.gz LFSIEZOKJCBPLY-HXUWFJFHSA-N 2 2 395.551 3.526 20 0 GHADLP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Nc1ccc(F)cc1F ZINC000534232065 866306522 /nfs/dbraw/zinc/30/65/22/866306522.db2.gz ULNFBNAIQXZUTC-UHFFFAOYSA-N 2 2 399.485 3.891 20 0 GHADLP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1ccc(F)cc1F ZINC000534232065 866306537 /nfs/dbraw/zinc/30/65/37/866306537.db2.gz ULNFBNAIQXZUTC-UHFFFAOYSA-N 2 2 399.485 3.891 20 0 GHADLP COc1ccccc1[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N(C)C ZINC000153290206 866327260 /nfs/dbraw/zinc/32/72/60/866327260.db2.gz WGKQYBJUCFJHFG-HSZRJFAPSA-N 2 2 381.564 3.595 20 0 GHADLP COc1ccccc1[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)[NH+](C)C ZINC000153290206 866327286 /nfs/dbraw/zinc/32/72/86/866327286.db2.gz WGKQYBJUCFJHFG-HSZRJFAPSA-N 2 2 381.564 3.595 20 0 GHADLP C[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000456318813 866428977 /nfs/dbraw/zinc/42/89/77/866428977.db2.gz BMWUWVIVBKYKLP-FQEVSTJZSA-N 2 2 388.515 3.526 20 0 GHADLP CCCOC(=O)[C@H](C)[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000741794156 866799747 /nfs/dbraw/zinc/79/97/47/866799747.db2.gz GHOMWGJOLOBPDR-KRWDZBQOSA-N 2 2 376.545 3.541 20 0 GHADLP CCCOC(=O)[C@H](C)[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000741794156 866799754 /nfs/dbraw/zinc/79/97/54/866799754.db2.gz GHOMWGJOLOBPDR-KRWDZBQOSA-N 2 2 376.545 3.541 20 0 GHADLP O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000553259237 867028552 /nfs/dbraw/zinc/02/85/52/867028552.db2.gz FULMHRYABYAMLO-QFIPXVFZSA-N 2 2 390.531 3.990 20 0 GHADLP O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000553259237 867028559 /nfs/dbraw/zinc/02/85/59/867028559.db2.gz FULMHRYABYAMLO-QFIPXVFZSA-N 2 2 390.531 3.990 20 0 GHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000523593845 867617584 /nfs/dbraw/zinc/61/75/84/867617584.db2.gz PJRWDXWGWJZWJN-WIYYLYMNSA-N 2 2 389.503 3.507 20 0 GHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000523593845 867617591 /nfs/dbraw/zinc/61/75/91/867617591.db2.gz PJRWDXWGWJZWJN-WIYYLYMNSA-N 2 2 389.503 3.507 20 0 GHADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465567995 867629059 /nfs/dbraw/zinc/62/90/59/867629059.db2.gz HLWQEBDTIQQNME-NJYVYQBISA-N 2 2 392.632 3.697 20 0 GHADLP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccccc1OC ZINC000155181856 867792729 /nfs/dbraw/zinc/79/27/29/867792729.db2.gz NJUDKLQTGVPUKB-JOCHJYFZSA-N 2 2 384.520 3.647 20 0 GHADLP CN(C(=O)Nc1cccc(F)c1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534942784 867802832 /nfs/dbraw/zinc/80/28/32/867802832.db2.gz MRHACWMOMFREMS-RBUKOAKNSA-N 2 2 394.510 3.766 20 0 GHADLP CN(C(=O)Nc1cccc(F)c1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534942784 867802844 /nfs/dbraw/zinc/80/28/44/867802844.db2.gz MRHACWMOMFREMS-RBUKOAKNSA-N 2 2 394.510 3.766 20 0 GHADLP CC[N@H+](CCCn1c2ccccc2[nH]c1=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000535011439 867931541 /nfs/dbraw/zinc/93/15/41/867931541.db2.gz PJSDMDFQAHNQKU-UHFFFAOYSA-N 2 2 393.535 3.766 20 0 GHADLP CC[N@@H+](CCCn1c2ccccc2[nH]c1=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000535011439 867931555 /nfs/dbraw/zinc/93/15/55/867931555.db2.gz PJSDMDFQAHNQKU-UHFFFAOYSA-N 2 2 393.535 3.766 20 0 GHADLP Cc1cc2[nH]c(C[NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)cc2c(C)c1 ZINC000479542634 867983878 /nfs/dbraw/zinc/98/38/78/867983878.db2.gz JMIAHLRWOBMLAB-UHFFFAOYSA-N 2 2 393.531 3.786 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000133428679 882227820 /nfs/dbraw/zinc/22/78/20/882227820.db2.gz XGVWYEZWDZQXQI-DZFGPLHGSA-N 2 2 381.520 3.804 20 0 GHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000133428679 882227833 /nfs/dbraw/zinc/22/78/33/882227833.db2.gz XGVWYEZWDZQXQI-DZFGPLHGSA-N 2 2 381.520 3.804 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(Br)c1 ZINC000793583785 882287647 /nfs/dbraw/zinc/28/76/47/882287647.db2.gz IRUALYIUZLTFJU-INIZCTEOSA-N 2 2 394.313 3.637 20 0 GHADLP Clc1ccc2[nH+]ccc(NCc3cccc(OCC[NH+]4CCOCC4)c3)c2c1 ZINC000462385548 869353092 /nfs/dbraw/zinc/35/30/92/869353092.db2.gz XMGBOSVOUAIHLB-UHFFFAOYSA-N 2 2 397.906 3.633 20 0 GHADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001170434939 882291650 /nfs/dbraw/zinc/29/16/50/882291650.db2.gz BJMYXWHQNJCQAH-SFHVURJKSA-N 2 2 398.551 3.634 20 0 GHADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001170434939 882291666 /nfs/dbraw/zinc/29/16/66/882291666.db2.gz BJMYXWHQNJCQAH-SFHVURJKSA-N 2 2 398.551 3.634 20 0 GHADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)cs2)cc1 ZINC000524750392 869494668 /nfs/dbraw/zinc/49/46/68/869494668.db2.gz GNYDBQZBJUBMOE-JOCHJYFZSA-N 2 2 398.620 3.973 20 0 GHADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)cs2)cc1 ZINC000524750392 869494675 /nfs/dbraw/zinc/49/46/75/869494675.db2.gz GNYDBQZBJUBMOE-JOCHJYFZSA-N 2 2 398.620 3.973 20 0 GHADLP C[N@H+](Cc1ccccc1OCC1CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428440086 869750666 /nfs/dbraw/zinc/75/06/66/869750666.db2.gz ZDBAOVOKPUSIGV-DEOSSOPVSA-N 2 2 380.532 3.544 20 0 GHADLP C[N@@H+](Cc1ccccc1OCC1CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428440086 869750675 /nfs/dbraw/zinc/75/06/75/869750675.db2.gz ZDBAOVOKPUSIGV-DEOSSOPVSA-N 2 2 380.532 3.544 20 0 GHADLP C[NH+](Cc1ccccc1OCC1CC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428440086 869750678 /nfs/dbraw/zinc/75/06/78/869750678.db2.gz ZDBAOVOKPUSIGV-DEOSSOPVSA-N 2 2 380.532 3.544 20 0 GHADLP C[NH+](Cc1ccccc1OCC1CC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428440086 869750685 /nfs/dbraw/zinc/75/06/85/869750685.db2.gz ZDBAOVOKPUSIGV-DEOSSOPVSA-N 2 2 380.532 3.544 20 0 GHADLP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000461471094 870255684 /nfs/dbraw/zinc/25/56/84/870255684.db2.gz MTDXNNCKHOYGJX-OAQYLSRUSA-N 2 2 388.515 3.904 20 0 GHADLP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000461471094 870255704 /nfs/dbraw/zinc/25/57/04/870255704.db2.gz MTDXNNCKHOYGJX-OAQYLSRUSA-N 2 2 388.515 3.904 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)CC[C@H]21 ZINC000248004191 870259145 /nfs/dbraw/zinc/25/91/45/870259145.db2.gz KQYQLSAUKHAKMS-LSWJPFSZSA-N 2 2 387.543 3.589 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)CC[C@H]21 ZINC000248004191 870259162 /nfs/dbraw/zinc/25/91/62/870259162.db2.gz KQYQLSAUKHAKMS-LSWJPFSZSA-N 2 2 387.543 3.589 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)CC[C@H]21 ZINC000248004191 870259181 /nfs/dbraw/zinc/25/91/81/870259181.db2.gz KQYQLSAUKHAKMS-LSWJPFSZSA-N 2 2 387.543 3.589 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)CC[C@H]21 ZINC000248004191 870259195 /nfs/dbraw/zinc/25/91/95/870259195.db2.gz KQYQLSAUKHAKMS-LSWJPFSZSA-N 2 2 387.543 3.589 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000248064650 870277445 /nfs/dbraw/zinc/27/74/45/870277445.db2.gz MDKFJLYIGHECQR-JMUQELJHSA-N 2 2 382.527 3.690 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000248064650 870277458 /nfs/dbraw/zinc/27/74/58/870277458.db2.gz MDKFJLYIGHECQR-JMUQELJHSA-N 2 2 382.527 3.690 20 0 GHADLP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n(C)c1C ZINC000462905261 870345449 /nfs/dbraw/zinc/34/54/49/870345449.db2.gz HNEZOYZLBCXFNV-OAQYLSRUSA-N 2 2 383.536 3.510 20 0 GHADLP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n(C)c1C ZINC000462905261 870345483 /nfs/dbraw/zinc/34/54/83/870345483.db2.gz HNEZOYZLBCXFNV-OAQYLSRUSA-N 2 2 383.536 3.510 20 0 GHADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248431282 870413963 /nfs/dbraw/zinc/41/39/63/870413963.db2.gz SYBASYSZXMRSBK-FOIQADDNSA-N 2 2 376.907 3.723 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000248523531 870473186 /nfs/dbraw/zinc/47/31/86/870473186.db2.gz SQHNUWXRWNJQDE-BAGYTPMASA-N 2 2 392.609 3.790 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000248523531 870473193 /nfs/dbraw/zinc/47/31/93/870473193.db2.gz SQHNUWXRWNJQDE-BAGYTPMASA-N 2 2 392.609 3.790 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cnn(CC(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000538732960 870474712 /nfs/dbraw/zinc/47/47/12/870474712.db2.gz GCRQCYJRHGMQJA-QFBILLFUSA-N 2 2 380.458 3.930 20 0 GHADLP C[C@H]1C[C@H]([NH+](C)Cc2cnn(CC(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000538732960 870474719 /nfs/dbraw/zinc/47/47/19/870474719.db2.gz GCRQCYJRHGMQJA-QFBILLFUSA-N 2 2 380.458 3.930 20 0 GHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnn(CC(F)(F)F)c2)CC[NH+]1Cc1ccccc1 ZINC000538732960 870474735 /nfs/dbraw/zinc/47/47/35/870474735.db2.gz GCRQCYJRHGMQJA-QFBILLFUSA-N 2 2 380.458 3.930 20 0 GHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnn(CC(F)(F)F)c2)CC[NH+]1Cc1ccccc1 ZINC000538732960 870474746 /nfs/dbraw/zinc/47/47/46/870474746.db2.gz GCRQCYJRHGMQJA-QFBILLFUSA-N 2 2 380.458 3.930 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC2CC2)c(F)c1 ZINC001192575999 870506898 /nfs/dbraw/zinc/50/68/98/870506898.db2.gz ZVDJBFOZHSTBOP-KOSHJBKYSA-N 2 2 398.522 3.902 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC2CC2)c(F)c1 ZINC001192575999 870506906 /nfs/dbraw/zinc/50/69/06/870506906.db2.gz ZVDJBFOZHSTBOP-KOSHJBKYSA-N 2 2 398.522 3.902 20 0 GHADLP CC1CC[NH+](CCc2cccc(NC(=O)NCc3ccn4cc[nH+]c4c3)c2)CC1 ZINC000538773587 870582978 /nfs/dbraw/zinc/58/29/78/870582978.db2.gz VOYATNBRCAJKCC-UHFFFAOYSA-N 2 2 391.519 3.930 20 0 GHADLP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000428460061 870773326 /nfs/dbraw/zinc/77/33/26/870773326.db2.gz FMYRQNDCNOIZOB-CBPXPLCBSA-N 2 2 379.552 3.702 20 0 GHADLP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428460061 870773330 /nfs/dbraw/zinc/77/33/30/870773330.db2.gz FMYRQNDCNOIZOB-CBPXPLCBSA-N 2 2 379.552 3.702 20 0 GHADLP C[C@@H](C1CC1)[N@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CC1 ZINC000428468936 870969402 /nfs/dbraw/zinc/96/94/02/870969402.db2.gz HWGNMPHKAIINST-HNNXBMFYSA-N 2 2 376.570 3.576 20 0 GHADLP C[C@@H](C1CC1)[N@@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CC1 ZINC000428468936 870969415 /nfs/dbraw/zinc/96/94/15/870969415.db2.gz HWGNMPHKAIINST-HNNXBMFYSA-N 2 2 376.570 3.576 20 0 GHADLP OC[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429696565 871044585 /nfs/dbraw/zinc/04/45/85/871044585.db2.gz IRJCVFHRQAQJLU-DQEYMECFSA-N 2 2 394.559 3.551 20 0 GHADLP OC[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429696565 871044605 /nfs/dbraw/zinc/04/46/05/871044605.db2.gz IRJCVFHRQAQJLU-DQEYMECFSA-N 2 2 394.559 3.551 20 0 GHADLP OC[C@@H](C1CC1)[NH+](Cc1ccccc1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429696565 871044639 /nfs/dbraw/zinc/04/46/39/871044639.db2.gz IRJCVFHRQAQJLU-DQEYMECFSA-N 2 2 394.559 3.551 20 0 GHADLP OC[C@@H](C1CC1)[NH+](Cc1ccccc1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429696565 871044665 /nfs/dbraw/zinc/04/46/65/871044665.db2.gz IRJCVFHRQAQJLU-DQEYMECFSA-N 2 2 394.559 3.551 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(C)ccc1OC ZINC000538984793 871048898 /nfs/dbraw/zinc/04/88/98/871048898.db2.gz CKTPDOKSOHPJBX-PUHATCMVSA-N 2 2 382.548 3.927 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(C)ccc1OC ZINC000538984793 871048920 /nfs/dbraw/zinc/04/89/20/871048920.db2.gz CKTPDOKSOHPJBX-PUHATCMVSA-N 2 2 382.548 3.927 20 0 GHADLP Fc1ccc(OC2CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000509637194 871051308 /nfs/dbraw/zinc/05/13/08/871051308.db2.gz AKFDREVIDFIJQQ-UHFFFAOYSA-N 2 2 397.538 3.881 20 0 GHADLP OC[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000539060764 871198973 /nfs/dbraw/zinc/19/89/73/871198973.db2.gz WCGHSHKHWUUZNC-KRWDZBQOSA-N 2 2 393.453 3.510 20 0 GHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCN(C(=O)c4ccsc4)CC3)CC1)C2 ZINC001169135015 871222763 /nfs/dbraw/zinc/22/27/63/871222763.db2.gz XMKWSTZQQZWBNI-PMOLBWCYSA-N 2 2 387.593 3.692 20 0 GHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCN(C(=O)c4ccsc4)CC3)CC1)C2 ZINC001169135015 871222782 /nfs/dbraw/zinc/22/27/82/871222782.db2.gz XMKWSTZQQZWBNI-PMOLBWCYSA-N 2 2 387.593 3.692 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000463242269 871243816 /nfs/dbraw/zinc/24/38/16/871243816.db2.gz GBJKXQJBJNVPTF-SXSPYAJSSA-N 2 2 395.522 3.569 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000463242269 871243831 /nfs/dbraw/zinc/24/38/31/871243831.db2.gz GBJKXQJBJNVPTF-SXSPYAJSSA-N 2 2 395.522 3.569 20 0 GHADLP C[NH+]1CCC(CNC(=O)Nc2ncc(C(C)(C)C)s2)([NH+]2CCCCC2)CC1 ZINC000525741481 871327168 /nfs/dbraw/zinc/32/71/68/871327168.db2.gz IVHDVHAXGWEHRI-UHFFFAOYSA-N 2 2 393.601 3.512 20 0 GHADLP C[C@]([NH3+])(C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000447433255 871640707 /nfs/dbraw/zinc/64/07/07/871640707.db2.gz ACVRAMILLMFTCH-GHTZIAJQSA-N 2 2 389.902 3.606 20 0 GHADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1C ZINC000103312082 871710159 /nfs/dbraw/zinc/71/01/59/871710159.db2.gz CUDYWPMZMWQGQJ-IBGZPJMESA-N 2 2 388.556 3.505 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](C)c3ccsc3)CC2)cc1 ZINC001169715434 871805118 /nfs/dbraw/zinc/80/51/18/871805118.db2.gz MKKGQWZVHBREHY-SFHVURJKSA-N 2 2 385.577 3.867 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000462204354 871805103 /nfs/dbraw/zinc/80/51/03/871805103.db2.gz UYCWHGUPTRPACF-UIFIKXQLSA-N 2 2 398.576 3.582 20 0 GHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000462204354 871805117 /nfs/dbraw/zinc/80/51/17/871805117.db2.gz UYCWHGUPTRPACF-UIFIKXQLSA-N 2 2 398.576 3.582 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NCc3ccc(Br)c(Cl)n3)c2)C1 ZINC001169823829 871926050 /nfs/dbraw/zinc/92/60/50/871926050.db2.gz NRWIPIMSMKFEFI-CYBMUJFWSA-N 2 2 395.732 3.643 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NCc3ccc(Br)c(Cl)n3)c2)C1 ZINC001169823829 871926056 /nfs/dbraw/zinc/92/60/56/871926056.db2.gz NRWIPIMSMKFEFI-CYBMUJFWSA-N 2 2 395.732 3.643 20 0 GHADLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1OCC(F)(F)F ZINC000093597764 872285514 /nfs/dbraw/zinc/28/55/14/872285514.db2.gz UPFCHYNIVKNLLY-QGZVFWFLSA-N 2 2 386.458 3.944 20 0 GHADLP CCOc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1OCC(F)(F)F ZINC000093597764 872285532 /nfs/dbraw/zinc/28/55/32/872285532.db2.gz UPFCHYNIVKNLLY-QGZVFWFLSA-N 2 2 386.458 3.944 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093643816 872315245 /nfs/dbraw/zinc/31/52/45/872315245.db2.gz GSOKPALUXTYDIT-KUHUBIRLSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093643816 872315266 /nfs/dbraw/zinc/31/52/66/872315266.db2.gz GSOKPALUXTYDIT-KUHUBIRLSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643816 872315287 /nfs/dbraw/zinc/31/52/87/872315287.db2.gz GSOKPALUXTYDIT-KUHUBIRLSA-N 2 2 391.357 3.858 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643816 872315309 /nfs/dbraw/zinc/31/53/09/872315309.db2.gz GSOKPALUXTYDIT-KUHUBIRLSA-N 2 2 391.357 3.858 20 0 GHADLP C[C@H](C[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)NC(=O)OC(C)(C)C ZINC000367395413 872349610 /nfs/dbraw/zinc/34/96/10/872349610.db2.gz BJTGCLZODWWEBU-KURKYZTESA-N 2 2 390.572 3.888 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc3c(c2)sc(=O)n3C)c(C)c1 ZINC000526989201 872430057 /nfs/dbraw/zinc/43/00/57/872430057.db2.gz SVXOJWNWXXACNY-IBGZPJMESA-N 2 2 392.528 3.944 20 0 GHADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000767432645 872516424 /nfs/dbraw/zinc/51/64/24/872516424.db2.gz GKQXIXGAGXVLSP-DENIHFKCSA-N 2 2 395.551 3.785 20 0 GHADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000767432645 872516430 /nfs/dbraw/zinc/51/64/30/872516430.db2.gz GKQXIXGAGXVLSP-DENIHFKCSA-N 2 2 395.551 3.785 20 0 GHADLP CCCOc1cccc2c(NCCC[NH+]3CCC(C(=O)OC)CC3)cc[nH+]c12 ZINC000478327832 872845267 /nfs/dbraw/zinc/84/52/67/872845267.db2.gz NHEIRAOLKXSQQE-UHFFFAOYSA-N 2 2 385.508 3.711 20 0 GHADLP Cc1c([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)nnn1-c1ccc(Cl)cc1 ZINC000152787659 872864312 /nfs/dbraw/zinc/86/43/12/872864312.db2.gz GKKSDQLKXKFHFG-AWEZNQCLSA-N 2 2 384.915 3.655 20 0 GHADLP CCCc1sc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1CC ZINC000460482847 882692780 /nfs/dbraw/zinc/69/27/80/882692780.db2.gz JCZLDOIMGNJMCS-UHFFFAOYSA-N 2 2 391.625 3.943 20 0 GHADLP C[C@H]1CC[N@H+](CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000527506166 873195557 /nfs/dbraw/zinc/19/55/57/873195557.db2.gz FAPYSEZGUYGWQO-KXBFYZLASA-N 2 2 381.358 3.848 20 0 GHADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000527506166 873195560 /nfs/dbraw/zinc/19/55/60/873195560.db2.gz FAPYSEZGUYGWQO-KXBFYZLASA-N 2 2 381.358 3.848 20 0 GHADLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC001196936704 873488152 /nfs/dbraw/zinc/48/81/52/873488152.db2.gz TXYWZDUUPKMKBZ-OAQYLSRUSA-N 2 2 380.536 3.936 20 0 GHADLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC001196936704 873488157 /nfs/dbraw/zinc/48/81/57/873488157.db2.gz TXYWZDUUPKMKBZ-OAQYLSRUSA-N 2 2 380.536 3.936 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc(-c2ccccc2)n(C)n1 ZINC000527879009 873742421 /nfs/dbraw/zinc/74/24/21/873742421.db2.gz CQZFBBPFPYWZKH-PXNSSMCTSA-N 2 2 390.535 3.796 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CCC[C@H]2c2nccs2)cc1 ZINC001198018941 874166363 /nfs/dbraw/zinc/16/63/63/874166363.db2.gz NUNJLGADHALMHU-IBGZPJMESA-N 2 2 386.565 3.504 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CCC[C@H]2c2nccs2)cc1 ZINC001198018941 874166370 /nfs/dbraw/zinc/16/63/70/874166370.db2.gz NUNJLGADHALMHU-IBGZPJMESA-N 2 2 386.565 3.504 20 0 GHADLP C[N@@H+](Cc1ccccc1)C[C@H](C[NH+]1CCC[C@@H]1C1OCCO1)c1ccccc1 ZINC001198269891 874339159 /nfs/dbraw/zinc/33/91/59/874339159.db2.gz FZQDKRAEXPYRGC-DHIUTWEWSA-N 2 2 380.532 3.740 20 0 GHADLP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CCC[C@@H]1C1OCCO1)c1ccccc1 ZINC001198269891 874339169 /nfs/dbraw/zinc/33/91/69/874339169.db2.gz FZQDKRAEXPYRGC-DHIUTWEWSA-N 2 2 380.532 3.740 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+]1CCC[C@@H]1C1OCCO1)c1ccccc1 ZINC001198269891 874339182 /nfs/dbraw/zinc/33/91/82/874339182.db2.gz FZQDKRAEXPYRGC-DHIUTWEWSA-N 2 2 380.532 3.740 20 0 GHADLP C[NH+](Cc1ccccc1)C[C@H](C[N@H+]1CCC[C@@H]1C1OCCO1)c1ccccc1 ZINC001198269891 874339193 /nfs/dbraw/zinc/33/91/93/874339193.db2.gz FZQDKRAEXPYRGC-DHIUTWEWSA-N 2 2 380.532 3.740 20 0 GHADLP CCC[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1 ZINC000528317155 874367398 /nfs/dbraw/zinc/36/73/98/874367398.db2.gz SWOQDOONGAODSW-NRFANRHFSA-N 2 2 391.987 3.899 20 0 GHADLP Fc1cc(Br)cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000449060101 874397265 /nfs/dbraw/zinc/39/72/65/874397265.db2.gz DSPSMVMNPFIVOZ-UHFFFAOYSA-N 2 2 393.300 3.710 20 0 GHADLP CC[N@@H+](CC(=O)Nc1cc(C)cc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464803801 874515615 /nfs/dbraw/zinc/51/56/15/874515615.db2.gz ALZAVTZMKMFDPI-UHFFFAOYSA-N 2 2 380.536 3.875 20 0 GHADLP CC[N@H+](CC(=O)Nc1cc(C)cc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464803801 874515619 /nfs/dbraw/zinc/51/56/19/874515619.db2.gz ALZAVTZMKMFDPI-UHFFFAOYSA-N 2 2 380.536 3.875 20 0 GHADLP CC[N@H+](C[C@H](O)COc1c(C)cccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464803751 874515759 /nfs/dbraw/zinc/51/57/59/874515759.db2.gz AGINEEWQODJKTN-QFIPXVFZSA-N 2 2 397.563 3.677 20 0 GHADLP CC[N@@H+](C[C@H](O)COc1c(C)cccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464803751 874515763 /nfs/dbraw/zinc/51/57/63/874515763.db2.gz AGINEEWQODJKTN-QFIPXVFZSA-N 2 2 397.563 3.677 20 0 GHADLP CC[N@@H+](CC(=O)NCCC1=CCCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807678 874562087 /nfs/dbraw/zinc/56/20/87/874562087.db2.gz INNJCVQHKUOWDJ-UHFFFAOYSA-N 2 2 384.568 3.627 20 0 GHADLP CC[N@H+](CC(=O)NCCC1=CCCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807678 874562091 /nfs/dbraw/zinc/56/20/91/874562091.db2.gz INNJCVQHKUOWDJ-UHFFFAOYSA-N 2 2 384.568 3.627 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464827774 874589368 /nfs/dbraw/zinc/58/93/68/874589368.db2.gz CZRJFBLUHMLDKK-ZVDOUQERSA-N 2 2 397.538 3.845 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464827774 874589372 /nfs/dbraw/zinc/58/93/72/874589372.db2.gz CZRJFBLUHMLDKK-ZVDOUQERSA-N 2 2 397.538 3.845 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464827774 874589375 /nfs/dbraw/zinc/58/93/75/874589375.db2.gz CZRJFBLUHMLDKK-ZVDOUQERSA-N 2 2 397.538 3.845 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464827774 874589383 /nfs/dbraw/zinc/58/93/83/874589383.db2.gz CZRJFBLUHMLDKK-ZVDOUQERSA-N 2 2 397.538 3.845 20 0 GHADLP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cn(C)nc2Br)CC1 ZINC000858098752 882843658 /nfs/dbraw/zinc/84/36/58/882843658.db2.gz QSFRMJXCDKHGFK-UHFFFAOYSA-N 2 2 391.357 3.704 20 0 GHADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843452 874618533 /nfs/dbraw/zinc/61/85/33/874618533.db2.gz VACCQHGZVFQMFX-NZQKXSOJSA-N 2 2 395.547 3.866 20 0 GHADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843452 874618540 /nfs/dbraw/zinc/61/85/40/874618540.db2.gz VACCQHGZVFQMFX-NZQKXSOJSA-N 2 2 395.547 3.866 20 0 GHADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843452 874618546 /nfs/dbraw/zinc/61/85/46/874618546.db2.gz VACCQHGZVFQMFX-NZQKXSOJSA-N 2 2 395.547 3.866 20 0 GHADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843452 874618557 /nfs/dbraw/zinc/61/85/57/874618557.db2.gz VACCQHGZVFQMFX-NZQKXSOJSA-N 2 2 395.547 3.866 20 0 GHADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)CC1 ZINC000449242655 874647591 /nfs/dbraw/zinc/64/75/91/874647591.db2.gz YGQQZZHHYABLNH-VGOFRKELSA-N 2 2 399.966 3.942 20 0 GHADLP COc1cc(OC)c(C[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000449466155 874923528 /nfs/dbraw/zinc/92/35/28/874923528.db2.gz DYXVFFZKVOESQS-INIZCTEOSA-N 2 2 381.476 3.619 20 0 GHADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000542134704 875033439 /nfs/dbraw/zinc/03/34/39/875033439.db2.gz MWVVERORDDLZJX-UHFFFAOYSA-N 2 2 378.879 3.807 20 0 GHADLP Cc1cc(Br)c(C[NH2+][C@H](C)CC[NH+](C)C)cc1Br ZINC001199907423 875220994 /nfs/dbraw/zinc/22/09/94/875220994.db2.gz VPFBYXZVHOAQLI-LLVKDONJSA-N 2 2 378.152 3.950 20 0 GHADLP Clc1ccc(-n2cc(C[NH2+]CCCNc3cccc[nH+]3)nn2)cc1Cl ZINC000542242569 875235338 /nfs/dbraw/zinc/23/53/38/875235338.db2.gz HFXNGGAQCBTVKB-UHFFFAOYSA-N 2 2 377.279 3.561 20 0 GHADLP OC[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(C(F)(F)F)cc1 ZINC000542313715 875353165 /nfs/dbraw/zinc/35/31/65/875353165.db2.gz WTWGCNFJLWEKKW-HNNXBMFYSA-N 2 2 395.450 3.893 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000449776719 875379335 /nfs/dbraw/zinc/37/93/35/875379335.db2.gz TYRYYWDNKSWKON-YLJYHZDGSA-N 2 2 378.944 3.983 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000771762171 875468998 /nfs/dbraw/zinc/46/89/98/875468998.db2.gz VVKFKMUUQCCPBE-LEWJYISDSA-N 2 2 387.474 3.521 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000771762171 875469004 /nfs/dbraw/zinc/46/90/04/875469004.db2.gz VVKFKMUUQCCPBE-LEWJYISDSA-N 2 2 387.474 3.521 20 0 GHADLP Cc1cc(CNc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)c2c([nH+]1)CCCC2 ZINC001201209203 875562891 /nfs/dbraw/zinc/56/28/91/875562891.db2.gz HNJIVRNRMMVVQK-LJQANCHMSA-N 2 2 392.547 3.578 20 0 GHADLP Cc1cc(CNc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c2c([nH+]1)CCCC2 ZINC001201209203 875562905 /nfs/dbraw/zinc/56/29/05/875562905.db2.gz HNJIVRNRMMVVQK-LJQANCHMSA-N 2 2 392.547 3.578 20 0 GHADLP C[C@@H](O)C[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccc1 ZINC000121570396 875615744 /nfs/dbraw/zinc/61/57/44/875615744.db2.gz PACFWPFWTQIOMD-TZIWHRDSSA-N 2 2 381.564 3.866 20 0 GHADLP Cc1nc(NCc2cccc(C(=O)N3CCCC[C@H]3[C@@H](C)C[NH+](C)C)c2)cc[nH+]1 ZINC001149041211 875660811 /nfs/dbraw/zinc/66/08/11/875660811.db2.gz CQPVQDLHFUMSCF-UWJYYQICSA-N 2 2 395.551 3.590 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]2c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000449966730 875716274 /nfs/dbraw/zinc/71/62/74/875716274.db2.gz RJBNODNKMUQNKM-FCHUYYIVSA-N 2 2 383.580 3.637 20 0 GHADLP C[C@H]1C[C@@H](CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC(C)(C)C1 ZINC000303973322 876151578 /nfs/dbraw/zinc/15/15/78/876151578.db2.gz UPCPDRZELCGSLW-PMACEKPBSA-N 2 2 377.617 3.905 20 0 GHADLP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000179512534 883005358 /nfs/dbraw/zinc/00/53/58/883005358.db2.gz KUGKMQDMQUUTJF-SBHAEUEKSA-N 2 2 383.536 3.605 20 0 GHADLP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000179512534 883005371 /nfs/dbraw/zinc/00/53/71/883005371.db2.gz KUGKMQDMQUUTJF-SBHAEUEKSA-N 2 2 383.536 3.605 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)CC[C@@H]21 ZINC000529535899 876303897 /nfs/dbraw/zinc/30/38/97/876303897.db2.gz IMNYYJVODKMKNC-JSGCOSHPSA-N 2 2 395.370 3.817 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)CC[C@@H]21 ZINC000529535899 876303909 /nfs/dbraw/zinc/30/39/09/876303909.db2.gz IMNYYJVODKMKNC-JSGCOSHPSA-N 2 2 395.370 3.817 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(Br)s3)CC[C@@H]21 ZINC000529535899 876303923 /nfs/dbraw/zinc/30/39/23/876303923.db2.gz IMNYYJVODKMKNC-JSGCOSHPSA-N 2 2 395.370 3.817 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(Br)s3)CC[C@@H]21 ZINC000529535899 876303930 /nfs/dbraw/zinc/30/39/30/876303930.db2.gz IMNYYJVODKMKNC-JSGCOSHPSA-N 2 2 395.370 3.817 20 0 GHADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000492209119 876441445 /nfs/dbraw/zinc/44/14/45/876441445.db2.gz KBDVNMODQWSTGE-HSZRJFAPSA-N 2 2 399.966 3.962 20 0 GHADLP CCOC(=O)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc1 ZINC000450458314 876463784 /nfs/dbraw/zinc/46/37/84/876463784.db2.gz XVUFRAOPPRANLX-DEOSSOPVSA-N 2 2 393.531 3.746 20 0 GHADLP CCOC(=O)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc1 ZINC000450458314 876463786 /nfs/dbraw/zinc/46/37/86/876463786.db2.gz XVUFRAOPPRANLX-DEOSSOPVSA-N 2 2 393.531 3.746 20 0 GHADLP CCOC(=O)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc1 ZINC000450458314 876463789 /nfs/dbraw/zinc/46/37/89/876463789.db2.gz XVUFRAOPPRANLX-DEOSSOPVSA-N 2 2 393.531 3.746 20 0 GHADLP CCOC(=O)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc1 ZINC000450458314 876463793 /nfs/dbraw/zinc/46/37/93/876463793.db2.gz XVUFRAOPPRANLX-DEOSSOPVSA-N 2 2 393.531 3.746 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000450494246 876525613 /nfs/dbraw/zinc/52/56/13/876525613.db2.gz KHNJGXHVDMRYIZ-IBGZPJMESA-N 2 2 392.609 3.957 20 0 GHADLP CCS(=O)(=O)c1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000450494246 876525622 /nfs/dbraw/zinc/52/56/22/876525622.db2.gz KHNJGXHVDMRYIZ-IBGZPJMESA-N 2 2 392.609 3.957 20 0 GHADLP CCC[N@H+](Cc1nnc(C(C)C)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450567494 876628500 /nfs/dbraw/zinc/62/85/00/876628500.db2.gz UBOMIFXGJUKFJJ-UHFFFAOYSA-N 2 2 388.585 3.949 20 0 GHADLP CCC[N@@H+](Cc1nnc(C(C)C)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450567494 876628516 /nfs/dbraw/zinc/62/85/16/876628516.db2.gz UBOMIFXGJUKFJJ-UHFFFAOYSA-N 2 2 388.585 3.949 20 0 GHADLP C[C@@H](C[NH2+]Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)Cn1cc[nH+]c1 ZINC000850091943 876658331 /nfs/dbraw/zinc/65/83/31/876658331.db2.gz DIVXWHMMOQWQTA-KRWDZBQOSA-N 2 2 384.524 3.602 20 0 GHADLP COC(=O)c1nc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)ccc1Cl ZINC000850512572 876983425 /nfs/dbraw/zinc/98/34/25/876983425.db2.gz HMGDXXNATJKSSD-KDOFPFPSSA-N 2 2 379.932 3.654 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000850577023 877047285 /nfs/dbraw/zinc/04/72/85/877047285.db2.gz RGGZNMKYIVWQHO-QGZVFWFLSA-N 2 2 375.476 3.643 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000134910435 883105086 /nfs/dbraw/zinc/10/50/86/883105086.db2.gz FHKKKHLKKNAJEO-KUWBRRTOSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000134910435 883105090 /nfs/dbraw/zinc/10/50/90/883105090.db2.gz FHKKKHLKKNAJEO-KUWBRRTOSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000134910435 883105096 /nfs/dbraw/zinc/10/50/96/883105096.db2.gz FHKKKHLKKNAJEO-KUWBRRTOSA-N 2 2 391.559 3.966 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000134910435 883105104 /nfs/dbraw/zinc/10/51/04/883105104.db2.gz FHKKKHLKKNAJEO-KUWBRRTOSA-N 2 2 391.559 3.966 20 0 GHADLP CC[N@@H+](Cc1ccc2c(c1)sc(=O)n2C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000195028971 883115938 /nfs/dbraw/zinc/11/59/38/883115938.db2.gz WTTGCMXQMXKFMT-UHFFFAOYSA-N 2 2 396.560 3.734 20 0 GHADLP CC[N@H+](Cc1ccc2c(c1)sc(=O)n2C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000195028971 883115948 /nfs/dbraw/zinc/11/59/48/883115948.db2.gz WTTGCMXQMXKFMT-UHFFFAOYSA-N 2 2 396.560 3.734 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000530284011 877405978 /nfs/dbraw/zinc/40/59/78/877405978.db2.gz KIRFWAVFSFZPDA-LJQANCHMSA-N 2 2 394.563 3.761 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000530284011 877405990 /nfs/dbraw/zinc/40/59/90/877405990.db2.gz KIRFWAVFSFZPDA-LJQANCHMSA-N 2 2 394.563 3.761 20 0 GHADLP COc1cc(Cn2c[nH+]c3c2CCCC3)cc(Cn2c[nH+]c3c2CCCC3)c1 ZINC000451195620 877559260 /nfs/dbraw/zinc/55/92/60/877559260.db2.gz OVWSWDSRUFKMBV-UHFFFAOYSA-N 2 2 376.504 3.942 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H](c3ccccc3)[C@@H]3CCOC3)C2)cc1 ZINC000551701493 877667405 /nfs/dbraw/zinc/66/74/05/877667405.db2.gz CYIWZYOJHHIWEH-SMIHKQSGSA-N 2 2 380.532 3.645 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H](c3ccccc3)[C@@H]3CCOC3)C2)cc1 ZINC000551701493 877667412 /nfs/dbraw/zinc/66/74/12/877667412.db2.gz CYIWZYOJHHIWEH-SMIHKQSGSA-N 2 2 380.532 3.645 20 0 GHADLP c1nn([C@H]2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)c2ccccc12 ZINC000551701418 877669525 /nfs/dbraw/zinc/66/95/25/877669525.db2.gz AIQSJHSIZGUSDD-XZOQPEGZSA-N 2 2 390.531 3.574 20 0 GHADLP c1nn([C@H]2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)c2ccccc12 ZINC000551701418 877669528 /nfs/dbraw/zinc/66/95/28/877669528.db2.gz AIQSJHSIZGUSDD-XZOQPEGZSA-N 2 2 390.531 3.574 20 0 GHADLP c1nn([C@H]2CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)c2ccccc12 ZINC000551701418 877669533 /nfs/dbraw/zinc/66/95/33/877669533.db2.gz AIQSJHSIZGUSDD-XZOQPEGZSA-N 2 2 390.531 3.574 20 0 GHADLP c1nn([C@H]2CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)c2ccccc12 ZINC000551701418 877669540 /nfs/dbraw/zinc/66/95/40/877669540.db2.gz AIQSJHSIZGUSDD-XZOQPEGZSA-N 2 2 390.531 3.574 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000245441294 877885147 /nfs/dbraw/zinc/88/51/47/877885147.db2.gz HFWYIGLTNUCCGC-BZSNNMDCSA-N 2 2 377.960 3.714 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000245441294 877885164 /nfs/dbraw/zinc/88/51/64/877885164.db2.gz HFWYIGLTNUCCGC-BZSNNMDCSA-N 2 2 377.960 3.714 20 0 GHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000530566139 878073139 /nfs/dbraw/zinc/07/31/39/878073139.db2.gz XQWOUGDCYXLIHT-LEWJYISDSA-N 2 2 381.520 3.587 20 0 GHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000530566139 878073157 /nfs/dbraw/zinc/07/31/57/878073157.db2.gz XQWOUGDCYXLIHT-LEWJYISDSA-N 2 2 381.520 3.587 20 0 GHADLP CN1CCO[C@H]([C@@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccc(Cl)cc2)C1 ZINC000245551719 878096580 /nfs/dbraw/zinc/09/65/80/878096580.db2.gz BSPREDMWZVNDKE-FPOVZHCZSA-N 2 2 388.943 3.589 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2)cs1 ZINC000245588955 878159088 /nfs/dbraw/zinc/15/90/88/878159088.db2.gz KHYKXOZIIJSPQZ-QRWLVFNGSA-N 2 2 395.532 3.837 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2)cs1 ZINC000245588955 878159099 /nfs/dbraw/zinc/15/90/99/878159099.db2.gz KHYKXOZIIJSPQZ-QRWLVFNGSA-N 2 2 395.532 3.837 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000245590693 878160216 /nfs/dbraw/zinc/16/02/16/878160216.db2.gz KQAJLYZNCHXQMX-QWQRMKEZSA-N 2 2 395.334 3.950 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000245590693 878160221 /nfs/dbraw/zinc/16/02/21/878160221.db2.gz KQAJLYZNCHXQMX-QWQRMKEZSA-N 2 2 395.334 3.950 20 0 GHADLP C[N@@H+]1CCO[C@H]([C@@H](NC2CC[NH+](C3CCCC3)CC2)c2ccc(Cl)cc2)C1 ZINC000245626581 878234338 /nfs/dbraw/zinc/23/43/38/878234338.db2.gz YQKLPSAGHVLBBP-VXKWHMMOSA-N 2 2 391.987 3.708 20 0 GHADLP C[N@H+]1CCO[C@H]([C@@H](NC2CC[NH+](C3CCCC3)CC2)c2ccc(Cl)cc2)C1 ZINC000245626581 878234354 /nfs/dbraw/zinc/23/43/54/878234354.db2.gz YQKLPSAGHVLBBP-VXKWHMMOSA-N 2 2 391.987 3.708 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@H]3Cc3ccccn3)C2)cc1 ZINC000852563457 878425467 /nfs/dbraw/zinc/42/54/67/878425467.db2.gz APQLABATFYSULN-QTJGBDASSA-N 2 2 379.548 3.674 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@H]3Cc3ccccn3)C2)cc1 ZINC000852563457 878425482 /nfs/dbraw/zinc/42/54/82/878425482.db2.gz APQLABATFYSULN-QTJGBDASSA-N 2 2 379.548 3.674 20 0 GHADLP O=C(C[N@H+]1CCCC[C@@H]1c1ccc(Cl)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000451735774 878435352 /nfs/dbraw/zinc/43/53/52/878435352.db2.gz MUZCJTXEHWUUML-HXUWFJFHSA-N 2 2 375.944 3.610 20 0 GHADLP O=C(C[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000451735774 878435361 /nfs/dbraw/zinc/43/53/61/878435361.db2.gz MUZCJTXEHWUUML-HXUWFJFHSA-N 2 2 375.944 3.610 20 0 GHADLP CN(C(=O)c1cc(F)c(F)cc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245737847 878503924 /nfs/dbraw/zinc/50/39/24/878503924.db2.gz UDXOIXUPEQTMCH-VQTJNVASSA-N 2 2 397.485 3.513 20 0 GHADLP CN(C(=O)c1cc(F)c(F)cc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245737847 878503937 /nfs/dbraw/zinc/50/39/37/878503937.db2.gz UDXOIXUPEQTMCH-VQTJNVASSA-N 2 2 397.485 3.513 20 0 GHADLP CC[NH+](CC)Cc1cccc(CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)c1 ZINC000530813012 878542123 /nfs/dbraw/zinc/54/21/23/878542123.db2.gz ANSRMJRVLYUSQF-UHFFFAOYSA-N 2 2 376.504 3.953 20 0 GHADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000852744128 878572495 /nfs/dbraw/zinc/57/24/95/878572495.db2.gz SQZNODNGLPIHCI-NSHDSACASA-N 2 2 381.236 3.561 20 0 GHADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000852744128 878572504 /nfs/dbraw/zinc/57/25/04/878572504.db2.gz SQZNODNGLPIHCI-NSHDSACASA-N 2 2 381.236 3.561 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc(C4CCCC4)c3)CC2)CC1 ZINC000616381409 878803119 /nfs/dbraw/zinc/80/31/19/878803119.db2.gz OWCYUWVPGWTGRI-UHFFFAOYSA-N 2 2 383.580 3.976 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc(C4CCCC4)c3)CC2)CC1 ZINC000616381409 878803145 /nfs/dbraw/zinc/80/31/45/878803145.db2.gz OWCYUWVPGWTGRI-UHFFFAOYSA-N 2 2 383.580 3.976 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000538100371 878808984 /nfs/dbraw/zinc/80/89/84/878808984.db2.gz FGJJOEYWXZWGFN-MOPGFXCFSA-N 2 2 398.378 3.977 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000538100371 878808996 /nfs/dbraw/zinc/80/89/96/878808996.db2.gz FGJJOEYWXZWGFN-MOPGFXCFSA-N 2 2 398.378 3.977 20 0 GHADLP O[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(F)cc1Cl ZINC000789359390 878891388 /nfs/dbraw/zinc/89/13/88/878891388.db2.gz YYIOTNNIKRDGIE-IBGZPJMESA-N 2 2 377.891 3.925 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246122300 879017277 /nfs/dbraw/zinc/01/72/77/879017277.db2.gz HIUSXWNLKMZHQA-PMACEKPBSA-N 2 2 379.548 3.554 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246122300 879017291 /nfs/dbraw/zinc/01/72/91/879017291.db2.gz HIUSXWNLKMZHQA-PMACEKPBSA-N 2 2 379.548 3.554 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246122300 879017305 /nfs/dbraw/zinc/01/73/05/879017305.db2.gz HIUSXWNLKMZHQA-PMACEKPBSA-N 2 2 379.548 3.554 20 0 GHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246122300 879017321 /nfs/dbraw/zinc/01/73/21/879017321.db2.gz HIUSXWNLKMZHQA-PMACEKPBSA-N 2 2 379.548 3.554 20 0 GHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]([C@@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000538349252 879329524 /nfs/dbraw/zinc/32/95/24/879329524.db2.gz PKVMOPXMUMTQRM-FQEVSTJZSA-N 2 2 395.547 3.848 20 0 GHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]([C@@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000538349252 879329542 /nfs/dbraw/zinc/32/95/42/879329542.db2.gz PKVMOPXMUMTQRM-FQEVSTJZSA-N 2 2 395.547 3.848 20 0 GHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]([C@@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000538349252 879329561 /nfs/dbraw/zinc/32/95/61/879329561.db2.gz PKVMOPXMUMTQRM-FQEVSTJZSA-N 2 2 395.547 3.848 20 0 GHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]([C@@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000538349252 879329580 /nfs/dbraw/zinc/32/95/80/879329580.db2.gz PKVMOPXMUMTQRM-FQEVSTJZSA-N 2 2 395.547 3.848 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000772747583 879494812 /nfs/dbraw/zinc/49/48/12/879494812.db2.gz PCPLIFKMHCPKQN-RXVVDRJESA-N 2 2 381.524 3.538 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000772747583 879494822 /nfs/dbraw/zinc/49/48/22/879494822.db2.gz PCPLIFKMHCPKQN-RXVVDRJESA-N 2 2 381.524 3.538 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000854223223 879640846 /nfs/dbraw/zinc/64/08/46/879640846.db2.gz RKJIOPVZSFGYCB-IWMITWMQSA-N 2 2 383.467 3.579 20 0 GHADLP Ic1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000790530494 879798432 /nfs/dbraw/zinc/79/84/32/879798432.db2.gz RJKLHYWCKFIWNE-UHFFFAOYSA-N 2 2 389.240 3.767 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246824018 879816237 /nfs/dbraw/zinc/81/62/37/879816237.db2.gz NWAGABQCTMBUHD-ZVEOBBNSSA-N 2 2 383.580 3.763 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246824018 879816256 /nfs/dbraw/zinc/81/62/56/879816256.db2.gz NWAGABQCTMBUHD-ZVEOBBNSSA-N 2 2 383.580 3.763 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246824018 879816274 /nfs/dbraw/zinc/81/62/74/879816274.db2.gz NWAGABQCTMBUHD-ZVEOBBNSSA-N 2 2 383.580 3.763 20 0 GHADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246824018 879816280 /nfs/dbraw/zinc/81/62/80/879816280.db2.gz NWAGABQCTMBUHD-ZVEOBBNSSA-N 2 2 383.580 3.763 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139884607 879825640 /nfs/dbraw/zinc/82/56/40/879825640.db2.gz MPGSZTJASWIWSL-DYESRHJHSA-N 2 2 381.520 3.636 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139884607 879825650 /nfs/dbraw/zinc/82/56/50/879825650.db2.gz MPGSZTJASWIWSL-DYESRHJHSA-N 2 2 381.520 3.636 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139884607 879825663 /nfs/dbraw/zinc/82/56/63/879825663.db2.gz MPGSZTJASWIWSL-DYESRHJHSA-N 2 2 381.520 3.636 20 0 GHADLP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139884607 879825675 /nfs/dbraw/zinc/82/56/75/879825675.db2.gz MPGSZTJASWIWSL-DYESRHJHSA-N 2 2 381.520 3.636 20 0 GHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247059905 879904793 /nfs/dbraw/zinc/90/47/93/879904793.db2.gz ZRFUZNJENHLAMG-JLHGSKIFSA-N 2 2 378.520 3.511 20 0 GHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247059905 879904806 /nfs/dbraw/zinc/90/48/06/879904806.db2.gz ZRFUZNJENHLAMG-JLHGSKIFSA-N 2 2 378.520 3.511 20 0 GHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247059905 879904815 /nfs/dbraw/zinc/90/48/15/879904815.db2.gz ZRFUZNJENHLAMG-JLHGSKIFSA-N 2 2 378.520 3.511 20 0 GHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247059905 879904823 /nfs/dbraw/zinc/90/48/23/879904823.db2.gz ZRFUZNJENHLAMG-JLHGSKIFSA-N 2 2 378.520 3.511 20 0 GHADLP CCCc1csc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)n1 ZINC000494116498 879913356 /nfs/dbraw/zinc/91/33/56/879913356.db2.gz MGCZXFLZCLOVDE-OAHLLOKOSA-N 2 2 376.545 3.837 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1([N@H+](C)Cc3ccccc3)CCC1)C2 ZINC000452725340 879923571 /nfs/dbraw/zinc/92/35/71/879923571.db2.gz DRAZEMKNPRDRGO-IBGZPJMESA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1([N@@H+](C)Cc3ccccc3)CCC1)C2 ZINC000452725340 879923578 /nfs/dbraw/zinc/92/35/78/879923578.db2.gz DRAZEMKNPRDRGO-IBGZPJMESA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1([N@H+](C)Cc3ccccc3)CCC1)CC2 ZINC000452725340 879923583 /nfs/dbraw/zinc/92/35/83/879923583.db2.gz DRAZEMKNPRDRGO-IBGZPJMESA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1([N@@H+](C)Cc3ccccc3)CCC1)CC2 ZINC000452725340 879923591 /nfs/dbraw/zinc/92/35/91/879923591.db2.gz DRAZEMKNPRDRGO-IBGZPJMESA-N 2 2 394.563 3.809 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000247152506 879932031 /nfs/dbraw/zinc/93/20/31/879932031.db2.gz XEIUYNPFNGDOLH-OXQOHEQNSA-N 2 2 393.453 3.979 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000247152506 879932035 /nfs/dbraw/zinc/93/20/35/879932035.db2.gz XEIUYNPFNGDOLH-OXQOHEQNSA-N 2 2 393.453 3.979 20 0 GHADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000531701926 880329422 /nfs/dbraw/zinc/32/94/22/880329422.db2.gz RVSMSHCCWBNLQD-KRWDZBQOSA-N 2 2 375.538 3.730 20 0 GHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)cc1O ZINC000453330776 880762792 /nfs/dbraw/zinc/76/27/92/880762792.db2.gz SORJXYXOPNTGOM-INIZCTEOSA-N 2 2 397.519 3.674 20 0 GHADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000531939894 880795897 /nfs/dbraw/zinc/79/58/97/880795897.db2.gz PBIBQWZMKBRWCG-LSDHHAIUSA-N 2 2 387.446 3.766 20 0 GHADLP C[C@@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531942535 880799686 /nfs/dbraw/zinc/79/96/86/880799686.db2.gz ZKOMDBUFZZKMQI-GCJKJVERSA-N 2 2 378.520 3.801 20 0 GHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000531975158 880854414 /nfs/dbraw/zinc/85/44/14/880854414.db2.gz QUFYWCUEPANTLH-INIZCTEOSA-N 2 2 395.975 3.845 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)n2C ZINC000186538032 880912732 /nfs/dbraw/zinc/91/27/32/880912732.db2.gz OUBXOIHIQZGSDW-SESVDKBCSA-N 2 2 390.531 3.582 20 0 GHADLP COc1ccc2c(c1)nc(C[NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)n2C ZINC000186538032 880912738 /nfs/dbraw/zinc/91/27/38/880912738.db2.gz OUBXOIHIQZGSDW-SESVDKBCSA-N 2 2 390.531 3.582 20 0 GHADLP O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000532137781 881217554 /nfs/dbraw/zinc/21/75/54/881217554.db2.gz UHCSBSLPWBJEKQ-UHFFFAOYSA-N 2 2 377.492 3.684 20 0 GHADLP COCCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)s1 ZINC000181594371 883165919 /nfs/dbraw/zinc/16/59/19/883165919.db2.gz UCKHFUURVURQSZ-NVXWUHKLSA-N 2 2 388.581 3.912 20 0 GHADLP Cn1cc([C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2cccc(F)c2)cn1 ZINC000195132286 883189406 /nfs/dbraw/zinc/18/94/06/883189406.db2.gz XKVRIZISMMRUJA-WMZHIEFXSA-N 2 2 378.495 3.760 20 0 GHADLP Cn1cc([C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2cccc(F)c2)cn1 ZINC000195132286 883189408 /nfs/dbraw/zinc/18/94/08/883189408.db2.gz XKVRIZISMMRUJA-WMZHIEFXSA-N 2 2 378.495 3.760 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(-c3cnn(C)c3C)no2)cc1 ZINC000184732391 883364404 /nfs/dbraw/zinc/36/44/04/883364404.db2.gz ZNZMBOLMOSPWCX-CQSZACIVSA-N 2 2 376.464 3.728 20 0 GHADLP CC[C@@H]1C[C@@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170470008 883443416 /nfs/dbraw/zinc/44/34/16/883443416.db2.gz NFJFZAXKSWMTSW-ACDBMABISA-N 3 2 398.636 3.546 20 0 GHADLP CC[C@@H]1C[C@@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170470008 883443424 /nfs/dbraw/zinc/44/34/24/883443424.db2.gz NFJFZAXKSWMTSW-ACDBMABISA-N 3 2 398.636 3.546 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ncc(Br)cn1 ZINC000551210851 883488959 /nfs/dbraw/zinc/48/89/59/883488959.db2.gz AQGGGLQVBJVNNI-UONOGXRCSA-N 2 2 393.329 3.591 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc2cccnc12 ZINC000428542076 883958539 /nfs/dbraw/zinc/95/85/39/883958539.db2.gz CZCFEGHSYLRCPX-HSZRJFAPSA-N 2 2 375.516 3.924 20 0 GHADLP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc2cccnc12 ZINC000428542076 883958544 /nfs/dbraw/zinc/95/85/44/883958544.db2.gz CZCFEGHSYLRCPX-HSZRJFAPSA-N 2 2 375.516 3.924 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH2+]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000777121779 884038126 /nfs/dbraw/zinc/03/81/26/884038126.db2.gz FVIAIHHDUJJICY-QGZVFWFLSA-N 2 2 378.866 3.942 20 0 GHADLP O[C@](C[NH2+]C1CC[NH+](CC2CC2)CC1)(c1ccc(Cl)cc1)C(F)(F)F ZINC000777121744 884039215 /nfs/dbraw/zinc/03/92/15/884039215.db2.gz FHXSIXXTHCQRQT-QGZVFWFLSA-N 2 2 376.850 3.554 20 0 GHADLP Cc1c[nH]c2cccc([NH+]3C=CC(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)C=C3)c12 ZINC001170496109 884282684 /nfs/dbraw/zinc/28/26/84/884282684.db2.gz KSYPTIIWODVYDL-WWDZGPRUSA-N 2 2 376.504 3.848 20 0 GHADLP Cc1cn(C)c2ccc([NH+]3C=CC(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)C=C3)cc12 ZINC001170500278 884420483 /nfs/dbraw/zinc/42/04/83/884420483.db2.gz LZBZYGJQUOOEFY-LMDPOFIKSA-N 2 2 390.531 3.858 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000130350827 884584830 /nfs/dbraw/zinc/58/48/30/884584830.db2.gz LFHWHHOYGOWJNP-UHFFFAOYSA-N 2 2 376.504 3.743 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000130350827 884584842 /nfs/dbraw/zinc/58/48/42/884584842.db2.gz LFHWHHOYGOWJNP-UHFFFAOYSA-N 2 2 376.504 3.743 20 0 GHADLP CCCOc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000428553210 884926559 /nfs/dbraw/zinc/92/65/59/884926559.db2.gz OONPPIZARFNGRE-QFIPXVFZSA-N 2 2 398.547 3.865 20 0 GHADLP CCCOc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000428553210 884926573 /nfs/dbraw/zinc/92/65/73/884926573.db2.gz OONPPIZARFNGRE-QFIPXVFZSA-N 2 2 398.547 3.865 20 0 GHADLP c1ccc(N2CC[NH+](CCC[NH2+]Cc3ccccc3N3CCCCC3)CC2)cc1 ZINC000914877172 885096609 /nfs/dbraw/zinc/09/66/09/885096609.db2.gz PUSZEPNZYAAXQT-UHFFFAOYSA-N 2 2 392.591 3.979 20 0 GHADLP O=C(NCCCCn1cc[nH+]c1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000057634812 885101983 /nfs/dbraw/zinc/10/19/83/885101983.db2.gz IPBFFIASKNUQKZ-UHFFFAOYSA-N 2 2 383.540 3.539 20 0 GHADLP COCCOc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1OC ZINC000131095912 885493360 /nfs/dbraw/zinc/49/33/60/885493360.db2.gz SLABNIWYMFYILS-OAQYLSRUSA-N 2 2 390.568 3.808 20 0 GHADLP COCCOc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1OC ZINC000131095912 885493370 /nfs/dbraw/zinc/49/33/70/885493370.db2.gz SLABNIWYMFYILS-OAQYLSRUSA-N 2 2 390.568 3.808 20 0 GHADLP CC[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000476472467 885961998 /nfs/dbraw/zinc/96/19/98/885961998.db2.gz PXLJYADXMFPUGJ-ZDFPQIBNSA-N 2 2 377.617 3.998 20 0 GHADLP CC[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000476472467 885962002 /nfs/dbraw/zinc/96/20/02/885962002.db2.gz PXLJYADXMFPUGJ-ZDFPQIBNSA-N 2 2 377.617 3.998 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532550353 885994870 /nfs/dbraw/zinc/99/48/70/885994870.db2.gz JEJNCOZJHNKUJU-WTNAPCKOSA-N 2 2 386.971 3.838 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532550353 885994875 /nfs/dbraw/zinc/99/48/75/885994875.db2.gz JEJNCOZJHNKUJU-WTNAPCKOSA-N 2 2 386.971 3.838 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000532550353 885994881 /nfs/dbraw/zinc/99/48/81/885994881.db2.gz JEJNCOZJHNKUJU-WTNAPCKOSA-N 2 2 386.971 3.838 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000532550353 885994885 /nfs/dbraw/zinc/99/48/85/885994885.db2.gz JEJNCOZJHNKUJU-WTNAPCKOSA-N 2 2 386.971 3.838 20 0 GHADLP COc1ccc2c(C[N@@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)cc(=O)oc2c1 ZINC000118832876 886241437 /nfs/dbraw/zinc/24/14/37/886241437.db2.gz CGCRLFZCAWHJJK-SFHVURJKSA-N 2 2 384.520 3.746 20 0 GHADLP COc1ccc2c(C[N@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)cc(=O)oc2c1 ZINC000118832876 886241454 /nfs/dbraw/zinc/24/14/54/886241454.db2.gz CGCRLFZCAWHJJK-SFHVURJKSA-N 2 2 384.520 3.746 20 0 GHADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1nc(C)ccc1O ZINC000119023276 886339172 /nfs/dbraw/zinc/33/91/72/886339172.db2.gz BFRKWLMJINIKNF-UHFFFAOYSA-N 2 2 380.492 3.783 20 0 GHADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1nc(C)ccc1O ZINC000119023276 886339185 /nfs/dbraw/zinc/33/91/85/886339185.db2.gz BFRKWLMJINIKNF-UHFFFAOYSA-N 2 2 380.492 3.783 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(N2CCCC2=O)cc1 ZINC000777259776 886394201 /nfs/dbraw/zinc/39/42/01/886394201.db2.gz WMPXBMFXDKEFAB-DYESRHJHSA-N 2 2 393.535 3.522 20 0 GHADLP COc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1NC(C)=O ZINC000131954886 886616094 /nfs/dbraw/zinc/61/60/94/886616094.db2.gz CXIFCCZHVXKTHP-UHFFFAOYSA-N 2 2 399.510 3.589 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123582326 886651619 /nfs/dbraw/zinc/65/16/19/886651619.db2.gz XQXMXPYWQWYXFL-HUUCEWRRSA-N 2 2 394.441 3.721 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123582326 886651623 /nfs/dbraw/zinc/65/16/23/886651623.db2.gz XQXMXPYWQWYXFL-HUUCEWRRSA-N 2 2 394.441 3.721 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000495818761 887148064 /nfs/dbraw/zinc/14/80/64/887148064.db2.gz DGVPHHDEUVRKSJ-UHFFFAOYSA-N 2 2 398.016 3.697 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000495818761 887148071 /nfs/dbraw/zinc/14/80/71/887148071.db2.gz DGVPHHDEUVRKSJ-UHFFFAOYSA-N 2 2 398.016 3.697 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3cc(C(F)(F)F)ccc3F)[nH+]c2)CC1 ZINC000532675090 887610393 /nfs/dbraw/zinc/61/03/93/887610393.db2.gz RTPDDCBGYUHQOI-UHFFFAOYSA-N 2 2 396.432 3.804 20 0 GHADLP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000868183353 889339194 /nfs/dbraw/zinc/33/91/94/889339194.db2.gz GHWPRHYARWBJRH-CBPXPLCBSA-N 2 2 387.487 3.748 20 0 GHADLP [NH3+]CCN(c1c(Br)ccc2[nH+]ccn21)C12CC3CC(CC(C3)C1)C2 ZINC001170630899 889430184 /nfs/dbraw/zinc/43/01/84/889430184.db2.gz QJTYGOAGTDQIPN-UHFFFAOYSA-N 2 2 389.341 3.831 20 0 GHADLP COc1ccc(-n2c(C[N@H+](C)CCCn3cc[nH+]c3)nc3ccccc32)cc1 ZINC000124234056 889556810 /nfs/dbraw/zinc/55/68/10/889556810.db2.gz AAMBSIPPPQBBMG-UHFFFAOYSA-N 2 2 375.476 3.753 20 0 GHADLP COc1ccc(-n2c(C[N@@H+](C)CCCn3cc[nH+]c3)nc3ccccc32)cc1 ZINC000124234056 889556818 /nfs/dbraw/zinc/55/68/18/889556818.db2.gz AAMBSIPPPQBBMG-UHFFFAOYSA-N 2 2 375.476 3.753 20 0 GHADLP CN(c1ccccc1C[NH+]1CC(O)(c2ccc(Cl)cc2)C1)C1CC[NH+](C)CC1 ZINC000811509242 889700873 /nfs/dbraw/zinc/70/08/73/889700873.db2.gz QZHLVHOESBGTAC-UHFFFAOYSA-N 2 2 399.966 3.574 20 0 GHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125600155 890049491 /nfs/dbraw/zinc/04/94/91/890049491.db2.gz HPYAAASWSLTECL-IBGZPJMESA-N 2 2 386.293 3.800 20 0 GHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125600155 890049509 /nfs/dbraw/zinc/04/95/09/890049509.db2.gz HPYAAASWSLTECL-IBGZPJMESA-N 2 2 386.293 3.800 20 0 GHADLP Cc1cc(C)cc(OCc2noc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)n2)c1 ZINC000533271740 890139858 /nfs/dbraw/zinc/13/98/58/890139858.db2.gz TVZVMAWQDZWBML-UHFFFAOYSA-N 2 2 386.540 3.818 20 0 GHADLP Cc1cc(C)cc(OCc2noc(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)n2)c1 ZINC000533271740 890139866 /nfs/dbraw/zinc/13/98/66/890139866.db2.gz TVZVMAWQDZWBML-UHFFFAOYSA-N 2 2 386.540 3.818 20 0 GHADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000533362091 890338559 /nfs/dbraw/zinc/33/85/59/890338559.db2.gz OICGYDIIIZWICO-MRXNPFEDSA-N 2 2 378.476 3.749 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCCCC[NH+]2CCCC2)c(C)c1 ZINC000455123462 890344068 /nfs/dbraw/zinc/34/40/68/890344068.db2.gz ZWAILLRVXSJMGZ-JOCHJYFZSA-N 2 2 397.567 3.807 20 0 GHADLP CC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000126053483 890353573 /nfs/dbraw/zinc/35/35/73/890353573.db2.gz PFRKXRZIIFWHPC-IBGZPJMESA-N 2 2 386.927 3.515 20 0 GHADLP C[C@H](c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1)C(F)(F)F ZINC000455208493 890542396 /nfs/dbraw/zinc/54/23/96/890542396.db2.gz MCHIPHZESGWQLT-OAHLLOKOSA-N 2 2 397.485 3.641 20 0 GHADLP CN(C(=O)c1ccc2[nH]ccc2c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649740 891046468 /nfs/dbraw/zinc/04/64/68/891046468.db2.gz ZXYFFMMPEICRNP-FCHUYYIVSA-N 2 2 382.552 3.577 20 0 GHADLP CN(C(=O)c1ccc2[nH]ccc2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649740 891046481 /nfs/dbraw/zinc/04/64/81/891046481.db2.gz ZXYFFMMPEICRNP-FCHUYYIVSA-N 2 2 382.552 3.577 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000533672649 891055682 /nfs/dbraw/zinc/05/56/82/891055682.db2.gz YCACAHJMACZXQG-AQNXPRMDSA-N 2 2 380.621 3.790 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000533672649 891055688 /nfs/dbraw/zinc/05/56/88/891055688.db2.gz YCACAHJMACZXQG-AQNXPRMDSA-N 2 2 380.621 3.790 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000533672650 891055806 /nfs/dbraw/zinc/05/58/06/891055806.db2.gz YCACAHJMACZXQG-UFYCRDLUSA-N 2 2 380.621 3.790 20 0 GHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000533672650 891055808 /nfs/dbraw/zinc/05/58/08/891055808.db2.gz YCACAHJMACZXQG-UFYCRDLUSA-N 2 2 380.621 3.790 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000246891442 891321031 /nfs/dbraw/zinc/32/10/31/891321031.db2.gz FLQPHSWGQDRMAP-AUSIDOKSSA-N 2 2 392.547 3.599 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000246891442 891321049 /nfs/dbraw/zinc/32/10/49/891321049.db2.gz FLQPHSWGQDRMAP-AUSIDOKSSA-N 2 2 392.547 3.599 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000246933593 891347364 /nfs/dbraw/zinc/34/73/64/891347364.db2.gz HFRYIGPTWRUJLE-AUSIDOKSSA-N 3 2 398.620 3.855 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000246933593 891347383 /nfs/dbraw/zinc/34/73/83/891347383.db2.gz HFRYIGPTWRUJLE-AUSIDOKSSA-N 3 2 398.620 3.855 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000248072714 891409395 /nfs/dbraw/zinc/40/93/95/891409395.db2.gz MPXYUNVYKRDMBD-VOBQZIQPSA-N 2 2 394.346 3.922 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000248072714 891409405 /nfs/dbraw/zinc/40/94/05/891409405.db2.gz MPXYUNVYKRDMBD-VOBQZIQPSA-N 2 2 394.346 3.922 20 0 GHADLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000089724828 891705631 /nfs/dbraw/zinc/70/56/31/891705631.db2.gz STMSAJHUEHEVEB-QTGUNEKASA-N 2 2 378.520 3.763 20 0 GHADLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000089724828 891705648 /nfs/dbraw/zinc/70/56/48/891705648.db2.gz STMSAJHUEHEVEB-QTGUNEKASA-N 2 2 378.520 3.763 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)[C@H](C)C1 ZINC000162141518 892054935 /nfs/dbraw/zinc/05/49/35/892054935.db2.gz FJGVDKODFSILLQ-QPPBQGQZSA-N 3 2 387.612 3.686 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)[C@H](C)C1 ZINC000162141518 892054954 /nfs/dbraw/zinc/05/49/54/892054954.db2.gz FJGVDKODFSILLQ-QPPBQGQZSA-N 3 2 387.612 3.686 20 0 GHADLP Fc1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1-c1cccs1 ZINC000261830020 892134021 /nfs/dbraw/zinc/13/40/21/892134021.db2.gz VFZCOLJPHZZLOO-UHFFFAOYSA-N 2 2 397.523 3.629 20 0 GHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508711887 892830393 /nfs/dbraw/zinc/83/03/93/892830393.db2.gz PPMLHCMFLQAKFO-ZJSXRUAMSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508711887 892830412 /nfs/dbraw/zinc/83/04/12/892830412.db2.gz PPMLHCMFLQAKFO-ZJSXRUAMSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508711887 892830437 /nfs/dbraw/zinc/83/04/37/892830437.db2.gz PPMLHCMFLQAKFO-ZJSXRUAMSA-N 3 2 377.576 3.935 20 0 GHADLP C[C@@H]([NH2+]CCC[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508711887 892830453 /nfs/dbraw/zinc/83/04/53/892830453.db2.gz PPMLHCMFLQAKFO-ZJSXRUAMSA-N 3 2 377.576 3.935 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)C1 ZINC000814671472 893078816 /nfs/dbraw/zinc/07/88/16/893078816.db2.gz BVIVJOJHFWVYSU-MOPGFXCFSA-N 2 2 376.545 3.632 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)C1 ZINC000814671472 893078837 /nfs/dbraw/zinc/07/88/37/893078837.db2.gz BVIVJOJHFWVYSU-MOPGFXCFSA-N 2 2 376.545 3.632 20 0 GHADLP Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000778188212 893177155 /nfs/dbraw/zinc/17/71/55/893177155.db2.gz FAAVLJWBRHBZSI-CQSZACIVSA-N 2 2 376.291 3.789 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000533865552 893272003 /nfs/dbraw/zinc/27/20/03/893272003.db2.gz QKMPITGHXFBPOA-IBGZPJMESA-N 2 2 398.526 3.710 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000533865552 893272014 /nfs/dbraw/zinc/27/20/14/893272014.db2.gz QKMPITGHXFBPOA-IBGZPJMESA-N 2 2 398.526 3.710 20 0 GHADLP Cc1sc(NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)nc1-c1ccc(Cl)cc1 ZINC000563155280 893413633 /nfs/dbraw/zinc/41/36/33/893413633.db2.gz IEIJQVVDEUZZFW-GOSISDBHSA-N 2 2 380.945 3.673 20 0 GHADLP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)[C@H]1Sc1ccccc1 ZINC000459401163 893430569 /nfs/dbraw/zinc/43/05/69/893430569.db2.gz CSWMBXMLDAQUMA-NJDAHSKKSA-N 2 2 390.593 3.559 20 0 GHADLP CCO[P@](C)(=O)CC[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000877096094 893483633 /nfs/dbraw/zinc/48/36/33/893483633.db2.gz XODRDLUULWYUKA-DXPJPUQTSA-N 2 2 382.489 3.747 20 0 GHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444789769 893512147 /nfs/dbraw/zinc/51/21/47/893512147.db2.gz FTXHIIBENNAELW-HNNXBMFYSA-N 2 2 395.334 3.565 20 0 GHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444789769 893512163 /nfs/dbraw/zinc/51/21/63/893512163.db2.gz FTXHIIBENNAELW-HNNXBMFYSA-N 2 2 395.334 3.565 20 0 GHADLP [NH3+][C@H](C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1)C1CCCC1 ZINC000877444381 893605101 /nfs/dbraw/zinc/60/51/01/893605101.db2.gz JUIKYOYLFIOSOZ-NZQKXSOJSA-N 2 2 394.563 3.620 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)ccc1Cl ZINC000877624663 893726956 /nfs/dbraw/zinc/72/69/56/893726956.db2.gz GTNYLPDRAYHSTG-OXQOHEQNSA-N 2 2 399.922 3.979 20 0 GHADLP COC(=O)c1nc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)ccc1Cl ZINC000877624663 893726963 /nfs/dbraw/zinc/72/69/63/893726963.db2.gz GTNYLPDRAYHSTG-OXQOHEQNSA-N 2 2 399.922 3.979 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000444815137 893736750 /nfs/dbraw/zinc/73/67/50/893736750.db2.gz UXPDZVDNSZUJBZ-DYVFJYSZSA-N 2 2 393.318 3.712 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000444815137 893736754 /nfs/dbraw/zinc/73/67/54/893736754.db2.gz UXPDZVDNSZUJBZ-DYVFJYSZSA-N 2 2 393.318 3.712 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129634041 893743757 /nfs/dbraw/zinc/74/37/57/893743757.db2.gz QJRHSNCZUNLDSD-VCBZYWHSSA-N 2 2 392.906 3.606 20 0 GHADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129634041 893743771 /nfs/dbraw/zinc/74/37/71/893743771.db2.gz QJRHSNCZUNLDSD-VCBZYWHSSA-N 2 2 392.906 3.606 20 0 GHADLP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)Nc1ccn2cc[nH+]c2c1 ZINC000563481895 893791760 /nfs/dbraw/zinc/79/17/60/893791760.db2.gz BWHLWPSTEAUKBH-LJQANCHMSA-N 2 2 377.492 3.758 20 0 GHADLP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1ccn2cc[nH+]c2c1 ZINC000563481895 893791777 /nfs/dbraw/zinc/79/17/77/893791777.db2.gz BWHLWPSTEAUKBH-LJQANCHMSA-N 2 2 377.492 3.758 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)cn1 ZINC000815562110 894000737 /nfs/dbraw/zinc/00/07/37/894000737.db2.gz XFZFOCCBYBVMAR-INIZCTEOSA-N 2 2 391.475 3.773 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2c(C)cccc2Cl)[C@@H](C)C1 ZINC000878445387 894298552 /nfs/dbraw/zinc/29/85/52/894298552.db2.gz GIIUOWAMPFLFCT-LNLFQRSKSA-N 2 2 395.975 3.702 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2c(C)cccc2Cl)[C@@H](C)C1 ZINC000878445387 894298563 /nfs/dbraw/zinc/29/85/63/894298563.db2.gz GIIUOWAMPFLFCT-LNLFQRSKSA-N 2 2 395.975 3.702 20 0 GHADLP CCOC(=O)c1cccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)n1 ZINC000878572902 894395240 /nfs/dbraw/zinc/39/52/40/894395240.db2.gz HBQTWWQPUBFNDC-QGZVFWFLSA-N 2 2 387.549 3.582 20 0 GHADLP CCOC(=O)c1cccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)n1 ZINC000878572902 894395252 /nfs/dbraw/zinc/39/52/52/894395252.db2.gz HBQTWWQPUBFNDC-QGZVFWFLSA-N 2 2 387.549 3.582 20 0 GHADLP CCOC(=O)c1cccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)n1 ZINC000878572902 894395262 /nfs/dbraw/zinc/39/52/62/894395262.db2.gz HBQTWWQPUBFNDC-QGZVFWFLSA-N 2 2 387.549 3.582 20 0 GHADLP CCOC(=O)c1cccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)n1 ZINC000878572902 894395273 /nfs/dbraw/zinc/39/52/73/894395273.db2.gz HBQTWWQPUBFNDC-QGZVFWFLSA-N 2 2 387.549 3.582 20 0 GHADLP O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c[nH+]ccc1Nc1ccccc1 ZINC001135428291 894562202 /nfs/dbraw/zinc/56/22/02/894562202.db2.gz PTYHMSCMRUJMIR-UHFFFAOYSA-N 2 2 386.499 3.642 20 0 GHADLP C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248803 894930209 /nfs/dbraw/zinc/93/02/09/894930209.db2.gz URLYEWPJTKYWJW-OAHLLOKOSA-N 2 2 394.357 3.584 20 0 GHADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816554333 894940083 /nfs/dbraw/zinc/94/00/83/894940083.db2.gz VJVNLQLPYOAVSI-QFBILLFUSA-N 2 2 384.524 3.549 20 0 GHADLP Brc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC001170853116 895283668 /nfs/dbraw/zinc/28/36/68/895283668.db2.gz CVMMBZKNFSYEDP-IBGZPJMESA-N 2 2 386.337 3.960 20 0 GHADLP O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1ccco1 ZINC000817274650 895460366 /nfs/dbraw/zinc/46/03/66/895460366.db2.gz PAYFLVVOKUSSQS-PKTZIBPZSA-N 2 2 398.547 3.980 20 0 GHADLP O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1)c1ccco1 ZINC000817274650 895460381 /nfs/dbraw/zinc/46/03/81/895460381.db2.gz PAYFLVVOKUSSQS-PKTZIBPZSA-N 2 2 398.547 3.980 20 0 GHADLP Cc1ccccc1[C@H](O)C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000817277058 895464078 /nfs/dbraw/zinc/46/40/78/895464078.db2.gz YELAZHBDWRHHSJ-RUZDIDTESA-N 2 2 394.559 3.773 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C(F)(F)F)nc1 ZINC000880102604 895515687 /nfs/dbraw/zinc/51/56/87/895515687.db2.gz INJSHMACJFYNHO-HNNXBMFYSA-N 2 2 379.426 3.783 20 0 GHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000565591850 895748582 /nfs/dbraw/zinc/74/85/82/895748582.db2.gz ZHNAOBQSHZOUCF-KSEOMHKRSA-N 2 2 392.609 3.934 20 0 GHADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)([NH+]2CCCCC2)CC1 ZINC000565723351 895833033 /nfs/dbraw/zinc/83/30/33/895833033.db2.gz UAPYNJARZWPBOD-PWRODBHTSA-N 2 2 375.601 3.659 20 0 GHADLP CC(C)c1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000566114387 896118324 /nfs/dbraw/zinc/11/83/24/896118324.db2.gz HKTCVEPFUXFSLK-DENIHFKCSA-N 2 2 397.563 3.760 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000566244394 896196716 /nfs/dbraw/zinc/19/67/16/896196716.db2.gz LRWIEAVXGAZKSS-NBQZKYEYSA-N 2 2 387.911 3.698 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000566244394 896196721 /nfs/dbraw/zinc/19/67/21/896196721.db2.gz LRWIEAVXGAZKSS-NBQZKYEYSA-N 2 2 387.911 3.698 20 0 GHADLP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000566517292 896349171 /nfs/dbraw/zinc/34/91/71/896349171.db2.gz DTPIZPXOXFBKGB-JOCHJYFZSA-N 2 2 386.503 3.758 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C2 ZINC000566574026 896385641 /nfs/dbraw/zinc/38/56/41/896385641.db2.gz ODRQRANJTYCRJZ-KXBFYZLASA-N 2 2 388.943 3.711 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000819183509 896453735 /nfs/dbraw/zinc/45/37/35/896453735.db2.gz PNMHKGYFIDYWIS-FOIQADDNSA-N 2 2 393.453 3.949 20 0 GHADLP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1Nc1ccccc1 ZINC001136196649 896455646 /nfs/dbraw/zinc/45/56/46/896455646.db2.gz IXCYWVIBZJWSBC-NRFANRHFSA-N 2 2 386.499 3.642 20 0 GHADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1Nc1ccccc1 ZINC001136196649 896455652 /nfs/dbraw/zinc/45/56/52/896455652.db2.gz IXCYWVIBZJWSBC-NRFANRHFSA-N 2 2 386.499 3.642 20 0 GHADLP O[C@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(F)cc1Cl ZINC000819274650 896561209 /nfs/dbraw/zinc/56/12/09/896561209.db2.gz IQGXMBSRNPJWJA-MQBCKMQZSA-N 2 2 394.840 3.907 20 0 GHADLP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000566893495 896673719 /nfs/dbraw/zinc/67/37/19/896673719.db2.gz AVHZHBRAPWGAHC-OALUTQOASA-N 2 2 394.563 3.707 20 0 GHADLP CC(C)c1c[nH]c(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)n1 ZINC000883018177 897208810 /nfs/dbraw/zinc/20/88/10/897208810.db2.gz RDERGVQMGYWBGN-UHFFFAOYSA-N 2 2 395.473 3.594 20 0 GHADLP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]([NH3+])c3c(F)cccc3F)c2)CC1 ZINC000567764315 897385460 /nfs/dbraw/zinc/38/54/60/897385460.db2.gz WRAVAEDOLWXPLI-OAQYLSRUSA-N 2 2 387.474 3.513 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC000883279132 897436699 /nfs/dbraw/zinc/43/66/99/897436699.db2.gz JRBHKCYHQVRSPS-HKUYNNGSSA-N 2 2 390.572 3.575 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC000883279132 897436708 /nfs/dbraw/zinc/43/67/08/897436708.db2.gz JRBHKCYHQVRSPS-HKUYNNGSSA-N 2 2 390.572 3.575 20 0 GHADLP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000567844886 897441995 /nfs/dbraw/zinc/44/19/95/897441995.db2.gz CBEKFMIUYLYHNN-LJQANCHMSA-N 2 2 384.549 3.603 20 0 GHADLP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000567844886 897442000 /nfs/dbraw/zinc/44/20/00/897442000.db2.gz CBEKFMIUYLYHNN-LJQANCHMSA-N 2 2 384.549 3.603 20 0 GHADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000883387310 897550246 /nfs/dbraw/zinc/55/02/46/897550246.db2.gz VOFVTRWQIPDLSI-DYESRHJHSA-N 2 2 378.476 3.640 20 0 GHADLP CN(C(=O)Nc1cc(C2CC2)ccn1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000568572009 897945879 /nfs/dbraw/zinc/94/58/79/897945879.db2.gz YOXWZFRKGPOECF-SFTDATJTSA-N 2 2 399.583 3.760 20 0 GHADLP CN(C(=O)Nc1cc(C2CC2)ccn1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000568572009 897945894 /nfs/dbraw/zinc/94/58/94/897945894.db2.gz YOXWZFRKGPOECF-SFTDATJTSA-N 2 2 399.583 3.760 20 0 GHADLP CCCN(CC[NH+]1CCCCCC1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000568690434 898037338 /nfs/dbraw/zinc/03/73/38/898037338.db2.gz BZXCMEVRAZDTBL-UHFFFAOYSA-N 2 2 382.552 3.589 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2c[nH+]ccc2Nc2ccccc2)C1 ZINC001136493188 898046676 /nfs/dbraw/zinc/04/66/76/898046676.db2.gz UIVMWDRFKRXEDE-WSTZPKSXSA-N 2 2 378.520 3.725 20 0 GHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2c[nH+]ccc2Nc2ccccc2)C1 ZINC001136493188 898046682 /nfs/dbraw/zinc/04/66/82/898046682.db2.gz UIVMWDRFKRXEDE-WSTZPKSXSA-N 2 2 378.520 3.725 20 0 GHADLP Cc1cccc([C@H](C)[NH+]2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)c1 ZINC000822289516 898287247 /nfs/dbraw/zinc/28/72/47/898287247.db2.gz YGYHERRZRXAGFZ-KRWDZBQOSA-N 2 2 399.502 3.607 20 0 GHADLP Cc1cccn2cc(Cc3noc(-c4ccccc4CC4CC[NH2+]CC4)n3)[nH+]c12 ZINC000822780541 898621043 /nfs/dbraw/zinc/62/10/43/898621043.db2.gz LTHNYYFFZOUREX-UHFFFAOYSA-N 2 2 387.487 3.826 20 0 GHADLP COc1cccc([C@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)N(C)C)c1 ZINC000133709526 898858487 /nfs/dbraw/zinc/85/84/87/898858487.db2.gz CVFYSJVVUPDAJU-DEOSSOPVSA-N 2 2 396.579 3.623 20 0 GHADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000289680975 914293227 /nfs/dbraw/zinc/29/32/27/914293227.db2.gz DOBNZAKXWGQQPD-XMSQKQJNSA-N 2 2 388.515 3.603 20 0 GHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000569771009 898941524 /nfs/dbraw/zinc/94/15/24/898941524.db2.gz KOSKXKHJUUODIQ-ROUUACIJSA-N 2 2 397.519 3.508 20 0 GHADLP O=C(OCc1ccccc1)c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c[nH]1 ZINC000823459046 899037719 /nfs/dbraw/zinc/03/77/19/899037719.db2.gz NQSKYZZLPRPBTP-OAQYLSRUSA-N 2 2 381.520 3.822 20 0 GHADLP O=C(OCc1ccccc1)c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c[nH]1 ZINC000823459046 899037735 /nfs/dbraw/zinc/03/77/35/899037735.db2.gz NQSKYZZLPRPBTP-OAQYLSRUSA-N 2 2 381.520 3.822 20 0 GHADLP COc1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(C)c1OC ZINC000569994943 899061486 /nfs/dbraw/zinc/06/14/86/899061486.db2.gz YNFGKSWGJOEACR-SJLPKXTDSA-N 2 2 384.524 3.721 20 0 GHADLP CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000824477065 899620650 /nfs/dbraw/zinc/62/06/50/899620650.db2.gz AQLXOUYKIUJPKS-UONOGXRCSA-N 2 2 397.853 3.982 20 0 GHADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4nc5ccccc5s4)CC3)C2)co1 ZINC001136950187 899854849 /nfs/dbraw/zinc/85/48/49/899854849.db2.gz REMMGRFOVABMSQ-UHFFFAOYSA-N 2 2 383.517 3.756 20 0 GHADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4nc5ccccc5s4)CC3)C2)co1 ZINC001136950187 899854852 /nfs/dbraw/zinc/85/48/52/899854852.db2.gz REMMGRFOVABMSQ-UHFFFAOYSA-N 2 2 383.517 3.756 20 0 GHADLP CN(C)C(=O)[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000572212469 900103312 /nfs/dbraw/zinc/10/33/12/900103312.db2.gz HAHWVASMHCHVIO-FYYLOGMGSA-N 2 2 379.548 3.708 20 0 GHADLP CN(C)C(=O)[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000572212469 900103323 /nfs/dbraw/zinc/10/33/23/900103323.db2.gz HAHWVASMHCHVIO-FYYLOGMGSA-N 2 2 379.548 3.708 20 0 GHADLP Cc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(OC(F)F)cc1C ZINC000572445025 900192006 /nfs/dbraw/zinc/19/20/06/900192006.db2.gz PROZGMYAWOBAHD-YOFSQIOKSA-N 2 2 393.522 3.648 20 0 GHADLP Cc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(OC(F)F)cc1C ZINC000572445025 900192015 /nfs/dbraw/zinc/19/20/15/900192015.db2.gz PROZGMYAWOBAHD-YOFSQIOKSA-N 2 2 393.522 3.648 20 0 GHADLP Cc1ccc(-c2noc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)n2)cc1 ZINC000573995603 900731150 /nfs/dbraw/zinc/73/11/50/900731150.db2.gz XXDXRXJAMWNEDM-UHFFFAOYSA-N 2 2 377.492 3.957 20 0 GHADLP O=c1[nH]c2ccccc2n1CCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000574928608 901056665 /nfs/dbraw/zinc/05/66/65/901056665.db2.gz NZFPPHMNVNEYDQ-KRWDZBQOSA-N 2 2 379.508 3.544 20 0 GHADLP O=c1[nH]c2ccccc2n1CCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000574928608 901056673 /nfs/dbraw/zinc/05/66/73/901056673.db2.gz NZFPPHMNVNEYDQ-KRWDZBQOSA-N 2 2 379.508 3.544 20 0 GHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886534359 901138807 /nfs/dbraw/zinc/13/88/07/901138807.db2.gz HDPLROWGXHBXMO-QTJGBDASSA-N 3 2 385.596 3.519 20 0 GHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886534359 901138812 /nfs/dbraw/zinc/13/88/12/901138812.db2.gz HDPLROWGXHBXMO-QTJGBDASSA-N 3 2 385.596 3.519 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000576056626 901626250 /nfs/dbraw/zinc/62/62/50/901626250.db2.gz OZYYBAQJJGOACT-UPVQGACJSA-N 2 2 399.579 3.557 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000576056626 901626267 /nfs/dbraw/zinc/62/62/67/901626267.db2.gz OZYYBAQJJGOACT-UPVQGACJSA-N 2 2 399.579 3.557 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000576056626 901626279 /nfs/dbraw/zinc/62/62/79/901626279.db2.gz OZYYBAQJJGOACT-UPVQGACJSA-N 2 2 399.579 3.557 20 0 GHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000576056626 901626289 /nfs/dbraw/zinc/62/62/89/901626289.db2.gz OZYYBAQJJGOACT-UPVQGACJSA-N 2 2 399.579 3.557 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000333446796 902096885 /nfs/dbraw/zinc/09/68/85/902096885.db2.gz XPXBCOMIYCFMON-PKOBYXMFSA-N 2 2 393.535 3.977 20 0 GHADLP C[NH+]1CCC2(CCCN2C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1 ZINC000333449802 902098636 /nfs/dbraw/zinc/09/86/36/902098636.db2.gz YIAIJDUDWKJQEM-UHFFFAOYSA-N 2 2 393.535 3.979 20 0 GHADLP Cn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c(C(F)(F)F)n1 ZINC000576636086 902146909 /nfs/dbraw/zinc/14/69/09/902146909.db2.gz OJLAFFMLYIUQHF-KRWDZBQOSA-N 2 2 378.442 3.726 20 0 GHADLP Cn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c(C(F)(F)F)n1 ZINC000576636086 902146914 /nfs/dbraw/zinc/14/69/14/902146914.db2.gz OJLAFFMLYIUQHF-KRWDZBQOSA-N 2 2 378.442 3.726 20 0 GHADLP C[C@H](CC(=O)OC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1)n1cc[nH+]c1 ZINC000845467198 902183711 /nfs/dbraw/zinc/18/37/11/902183711.db2.gz FIHFUYLBXDYVJO-HZPDHXFCSA-N 2 2 377.435 3.568 20 0 GHADLP C[C@H](CC(=O)OC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)n1cc[nH+]c1 ZINC000845467198 902183720 /nfs/dbraw/zinc/18/37/20/902183720.db2.gz FIHFUYLBXDYVJO-HZPDHXFCSA-N 2 2 377.435 3.568 20 0 GHADLP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001146291141 903489162 /nfs/dbraw/zinc/48/91/62/903489162.db2.gz NECCSBLGIRJGSH-ATZDWAIDSA-N 2 2 395.950 3.680 20 0 GHADLP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001146291141 903489168 /nfs/dbraw/zinc/48/91/68/903489168.db2.gz NECCSBLGIRJGSH-ATZDWAIDSA-N 2 2 395.950 3.680 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000779063719 903751190 /nfs/dbraw/zinc/75/11/90/903751190.db2.gz CUKUZAKHJSDILT-ZCNNSNEGSA-N 2 2 396.535 3.581 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000136305673 903773091 /nfs/dbraw/zinc/77/30/91/903773091.db2.gz QSNMOWPMZRPWQA-UHFFFAOYSA-N 2 2 379.386 3.782 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000136305673 903773108 /nfs/dbraw/zinc/77/31/08/903773108.db2.gz QSNMOWPMZRPWQA-UHFFFAOYSA-N 2 2 379.386 3.782 20 0 GHADLP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000779067327 903777532 /nfs/dbraw/zinc/77/75/32/903777532.db2.gz VARPPPPXWLCYNP-SQNIBIBYSA-N 2 2 376.545 3.746 20 0 GHADLP Brc1csc(-c2noc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)n2)c1 ZINC000265471344 903912357 /nfs/dbraw/zinc/91/23/57/903912357.db2.gz IFZSHILEYFZCDA-UHFFFAOYSA-N 2 2 394.298 3.663 20 0 GHADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3c(Cl)ccc(OC)c3C2)CC1 ZINC001171320779 903988754 /nfs/dbraw/zinc/98/87/54/903988754.db2.gz LOKBAVBNQLDNMC-QZTJIDSGSA-N 2 2 392.971 3.781 20 0 GHADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3c(Cl)ccc(OC)c3C2)CC1 ZINC001171320779 903988758 /nfs/dbraw/zinc/98/87/58/903988758.db2.gz LOKBAVBNQLDNMC-QZTJIDSGSA-N 2 2 392.971 3.781 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000152239159 904247934 /nfs/dbraw/zinc/24/79/34/904247934.db2.gz FOEKBSOWCBNAQS-KRWDZBQOSA-N 2 2 381.476 3.757 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC3CCC(C)CC3)C2)s1 ZINC000579040134 904308187 /nfs/dbraw/zinc/30/81/87/904308187.db2.gz IWSOBDKCCULNHJ-UMIMFARRSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)NC3CCC(C)CC3)C2)s1 ZINC000579040134 904308202 /nfs/dbraw/zinc/30/82/02/904308202.db2.gz IWSOBDKCCULNHJ-UMIMFARRSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NC3CCC(C)CC3)C2)s1 ZINC000579040134 904308216 /nfs/dbraw/zinc/30/82/16/904308216.db2.gz IWSOBDKCCULNHJ-UMIMFARRSA-N 2 2 391.625 3.894 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NC3CCC(C)CC3)C2)s1 ZINC000579040134 904308227 /nfs/dbraw/zinc/30/82/27/904308227.db2.gz IWSOBDKCCULNHJ-UMIMFARRSA-N 2 2 391.625 3.894 20 0 GHADLP Cn1c2ccccc2nc1CCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000773007643 904363109 /nfs/dbraw/zinc/36/31/09/904363109.db2.gz QQYYBUXLKDMYMB-UHFFFAOYSA-N 2 2 391.563 3.831 20 0 GHADLP CCCN(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000773107130 904437573 /nfs/dbraw/zinc/43/75/73/904437573.db2.gz LWPSYNVDQSRTIG-AZUAARDMSA-N 2 2 390.572 3.529 20 0 GHADLP CCCN(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000773107130 904437579 /nfs/dbraw/zinc/43/75/79/904437579.db2.gz LWPSYNVDQSRTIG-AZUAARDMSA-N 2 2 390.572 3.529 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4c(F)cccc4C3)CC2)cc1 ZINC001171411749 904542732 /nfs/dbraw/zinc/54/27/32/904542732.db2.gz NJLUKUYITMVZOT-OAQYLSRUSA-N 2 2 396.506 3.724 20 0 GHADLP CCCN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000889489076 904599585 /nfs/dbraw/zinc/59/95/85/904599585.db2.gz UZPYFWWUSXDZSL-UHFFFAOYSA-N 2 2 394.563 3.665 20 0 GHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccnc(Cl)c3Cl)c2)CCO1 ZINC000290809680 914828641 /nfs/dbraw/zinc/82/86/41/914828641.db2.gz GBLGGMYAFVITND-CQSZACIVSA-N 2 2 380.319 3.899 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccnc(Cl)c3Cl)c2)CCO1 ZINC000290809680 914828663 /nfs/dbraw/zinc/82/86/63/914828663.db2.gz GBLGGMYAFVITND-CQSZACIVSA-N 2 2 380.319 3.899 20 0 GHADLP CC[N@H+](Cc1ccc(OC(=O)c2cccs2)c(OC)c1)C1CC[NH+](C)CC1 ZINC001137256706 904720822 /nfs/dbraw/zinc/72/08/22/904720822.db2.gz RRMZFWRJIGIMCJ-UHFFFAOYSA-N 2 2 388.533 3.892 20 0 GHADLP CC[N@@H+](Cc1ccc(OC(=O)c2cccs2)c(OC)c1)C1CC[NH+](C)CC1 ZINC001137256706 904720828 /nfs/dbraw/zinc/72/08/28/904720828.db2.gz RRMZFWRJIGIMCJ-UHFFFAOYSA-N 2 2 388.533 3.892 20 0 GHADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C[C@@H]21 ZINC001171618005 904884670 /nfs/dbraw/zinc/88/46/70/904884670.db2.gz UFCPFIAHGJSXSD-AKHDSKFASA-N 2 2 379.589 3.827 20 0 GHADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C[C@@H]21 ZINC001171618005 904884684 /nfs/dbraw/zinc/88/46/84/904884684.db2.gz UFCPFIAHGJSXSD-AKHDSKFASA-N 2 2 379.589 3.827 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C[C@@H]21 ZINC001171618005 904884700 /nfs/dbraw/zinc/88/47/00/904884700.db2.gz UFCPFIAHGJSXSD-AKHDSKFASA-N 2 2 379.589 3.827 20 0 GHADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C[C@@H]21 ZINC001171618005 904884708 /nfs/dbraw/zinc/88/47/08/904884708.db2.gz UFCPFIAHGJSXSD-AKHDSKFASA-N 2 2 379.589 3.827 20 0 GHADLP COc1cc(C)nc(C[N@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001171637316 904925580 /nfs/dbraw/zinc/92/55/80/904925580.db2.gz VAMUBTHWRHFHEG-KDURUIRLSA-N 2 2 383.536 3.640 20 0 GHADLP COc1cc(C)nc(C[N@@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001171637316 904925589 /nfs/dbraw/zinc/92/55/89/904925589.db2.gz VAMUBTHWRHFHEG-KDURUIRLSA-N 2 2 383.536 3.640 20 0 GHADLP COc1cc(C)nc(C[NH+](C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001171637316 904925597 /nfs/dbraw/zinc/92/55/97/904925597.db2.gz VAMUBTHWRHFHEG-KDURUIRLSA-N 2 2 383.536 3.640 20 0 GHADLP COc1cc(C)nc(C[NH+](C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001171637316 904925602 /nfs/dbraw/zinc/92/56/02/904925602.db2.gz VAMUBTHWRHFHEG-KDURUIRLSA-N 2 2 383.536 3.640 20 0 GHADLP Cn1cc(-c2ccc(C[NH2+]CCc3[nH+]ccn3Cc3ccccc3)s2)cn1 ZINC000509525105 904980004 /nfs/dbraw/zinc/98/00/04/904980004.db2.gz NYGKADDSFFNIHD-UHFFFAOYSA-N 2 2 377.517 3.726 20 0 GHADLP C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171753955 904985319 /nfs/dbraw/zinc/98/53/19/904985319.db2.gz YUWQWAZIVBVSHY-YJMBLLCNSA-N 2 2 381.589 3.775 20 0 GHADLP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171753955 904985334 /nfs/dbraw/zinc/98/53/34/904985334.db2.gz YUWQWAZIVBVSHY-YJMBLLCNSA-N 2 2 381.589 3.775 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171753955 904985342 /nfs/dbraw/zinc/98/53/42/904985342.db2.gz YUWQWAZIVBVSHY-YJMBLLCNSA-N 2 2 381.589 3.775 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171753955 904985361 /nfs/dbraw/zinc/98/53/61/904985361.db2.gz YUWQWAZIVBVSHY-YJMBLLCNSA-N 2 2 381.589 3.775 20 0 GHADLP CC(C)(C)OC(=O)C1CCC(N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CC1 ZINC001171933719 905188368 /nfs/dbraw/zinc/18/83/68/905188368.db2.gz DIYMRHACTWEQLA-UHFFFAOYSA-N 2 2 377.504 3.680 20 0 GHADLP CCN1CC[C@]2(CCC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1=O ZINC001171978486 905225782 /nfs/dbraw/zinc/22/57/82/905225782.db2.gz DLRXMSHCWNWDNT-URXFXBBRSA-N 2 2 383.580 3.764 20 0 GHADLP CCN1CC[C@]2(CCC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1=O ZINC001171978486 905225794 /nfs/dbraw/zinc/22/57/94/905225794.db2.gz DLRXMSHCWNWDNT-URXFXBBRSA-N 2 2 383.580 3.764 20 0 GHADLP CCN1CC[C@]2(CCC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)C1=O ZINC001171978486 905225807 /nfs/dbraw/zinc/22/58/07/905225807.db2.gz DLRXMSHCWNWDNT-URXFXBBRSA-N 2 2 383.580 3.764 20 0 GHADLP CCN1CC[C@]2(CCC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)C1=O ZINC001171978486 905225823 /nfs/dbraw/zinc/22/58/23/905225823.db2.gz DLRXMSHCWNWDNT-URXFXBBRSA-N 2 2 383.580 3.764 20 0 GHADLP Brc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)CC2)cc1 ZINC001171988352 905250492 /nfs/dbraw/zinc/25/04/92/905250492.db2.gz GAISSSBNEJXPJL-KRWDZBQOSA-N 2 2 378.358 3.634 20 0 GHADLP Brc1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C4CCC4)C3)CC2)cc1 ZINC001171988352 905250506 /nfs/dbraw/zinc/25/05/06/905250506.db2.gz GAISSSBNEJXPJL-KRWDZBQOSA-N 2 2 378.358 3.634 20 0 GHADLP CCOCC[C@@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC001172411245 905533622 /nfs/dbraw/zinc/53/36/22/905533622.db2.gz GWFYVDNTHAIFAN-IERDGZPVSA-N 2 2 380.492 3.532 20 0 GHADLP CCCC[C@@H]1C[C@@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001172627798 905732931 /nfs/dbraw/zinc/73/29/31/905732931.db2.gz QPDLAWPGKBYRMX-VQTJNVASSA-N 3 2 398.636 3.547 20 0 GHADLP CCCC[C@@H]1C[C@@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001172627798 905732936 /nfs/dbraw/zinc/73/29/36/905732936.db2.gz QPDLAWPGKBYRMX-VQTJNVASSA-N 3 2 398.636 3.547 20 0 GHADLP COc1ccc([C@H]([NH3+])[C@@H]([NH2+][C@H]2CCC[C@H](OC)C2)c2ccc(OC)cc2)cc1 ZINC001172924440 905994291 /nfs/dbraw/zinc/99/42/91/905994291.db2.gz UVTJBZFVGZPNMN-QGQQZZQASA-N 2 2 384.520 3.992 20 0 GHADLP CO[C@@H]1CCC[C@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)C1 ZINC001172926494 905995211 /nfs/dbraw/zinc/99/52/11/905995211.db2.gz BHMXPUKQGUTUEY-NNWRFLSQSA-N 2 2 392.503 3.675 20 0 GHADLP C[C@@H]1CC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001173057924 906132024 /nfs/dbraw/zinc/13/20/24/906132024.db2.gz GGBBLANKCCZHGL-NCXUSEDFSA-N 2 2 388.556 3.946 20 0 GHADLP c1ccc(OC2CCC([NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)CC2)cc1 ZINC001173202166 906288410 /nfs/dbraw/zinc/28/84/10/906288410.db2.gz NRADGCLWFGJDTK-NJRHGXBZSA-N 2 2 377.532 3.835 20 0 GHADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001173413867 906442045 /nfs/dbraw/zinc/44/20/45/906442045.db2.gz VGKCDJHRRULMIH-IBGZPJMESA-N 2 2 377.960 3.655 20 0 GHADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001173413867 906442054 /nfs/dbraw/zinc/44/20/54/906442054.db2.gz VGKCDJHRRULMIH-IBGZPJMESA-N 2 2 377.960 3.655 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001173425267 906461958 /nfs/dbraw/zinc/46/19/58/906461958.db2.gz VGYOJKSOVZCUJL-HXUWFJFHSA-N 2 2 399.922 3.801 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001173425267 906461966 /nfs/dbraw/zinc/46/19/66/906461966.db2.gz VGYOJKSOVZCUJL-HXUWFJFHSA-N 2 2 399.922 3.801 20 0 GHADLP COc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc(OCc2ccccc2)c1OC ZINC001206201590 906480861 /nfs/dbraw/zinc/48/08/61/906480861.db2.gz XXVSVRMCKIYOJV-MOPGFXCFSA-N 2 2 388.483 3.544 20 0 GHADLP COc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc(OCc2ccccc2)c1OC ZINC001206201590 906480865 /nfs/dbraw/zinc/48/08/65/906480865.db2.gz XXVSVRMCKIYOJV-MOPGFXCFSA-N 2 2 388.483 3.544 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)C1 ZINC001173636353 906588733 /nfs/dbraw/zinc/58/87/33/906588733.db2.gz YPAFASABOIMHJR-UWJYYQICSA-N 2 2 376.516 3.810 20 0 GHADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Br)c(F)c2F)C1 ZINC000629547426 906861651 /nfs/dbraw/zinc/86/16/51/906861651.db2.gz JRMOUGBOHHZXGI-SNPRPXQTSA-N 2 2 389.284 3.588 20 0 GHADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)c(F)c2F)C1 ZINC000629547426 906861659 /nfs/dbraw/zinc/86/16/59/906861659.db2.gz JRMOUGBOHHZXGI-SNPRPXQTSA-N 2 2 389.284 3.588 20 0 GHADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@H]1C(F)(F)F ZINC000629564321 906870631 /nfs/dbraw/zinc/87/06/31/906870631.db2.gz SOZMHSBGILQORJ-IEBWSBKVSA-N 2 2 391.437 3.898 20 0 GHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@H]1C(F)(F)F ZINC000629564321 906870643 /nfs/dbraw/zinc/87/06/43/906870643.db2.gz SOZMHSBGILQORJ-IEBWSBKVSA-N 2 2 391.437 3.898 20 0 GHADLP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2OCc2cccnc2)CC[C@H]1C(F)(F)F ZINC000629652914 906931793 /nfs/dbraw/zinc/93/17/93/906931793.db2.gz CJXTYKNJWFTRCA-ZWKOTPCHSA-N 2 2 379.426 3.620 20 0 GHADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2OCc2cccnc2)CC[C@H]1C(F)(F)F ZINC000629652914 906931796 /nfs/dbraw/zinc/93/17/96/906931796.db2.gz CJXTYKNJWFTRCA-ZWKOTPCHSA-N 2 2 379.426 3.620 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000366007974 921282464 /nfs/dbraw/zinc/28/24/64/921282464.db2.gz WVAKAYLKIUCXOJ-KNKQGSTJSA-N 2 2 382.527 3.547 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000366007974 921282465 /nfs/dbraw/zinc/28/24/65/921282465.db2.gz WVAKAYLKIUCXOJ-KNKQGSTJSA-N 2 2 382.527 3.547 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc2cc(Br)ccc2o1 ZINC000181560984 907027150 /nfs/dbraw/zinc/02/71/50/907027150.db2.gz KIOPCQDFWPDUME-ZDUSSCGKSA-N 2 2 381.314 3.693 20 0 GHADLP Brc1ccc2[nH+]cc(Nc3ccc(C[NH+]4CCOCC4)cc3)n2c1 ZINC001174444465 907039713 /nfs/dbraw/zinc/03/97/13/907039713.db2.gz NUCFCJHVVZCYDT-UHFFFAOYSA-N 2 2 387.281 3.673 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000366047070 921294634 /nfs/dbraw/zinc/29/46/34/921294634.db2.gz TYHWLZQFWHIBRY-PQNGQFLHSA-N 2 2 378.564 3.798 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000366047070 921294637 /nfs/dbraw/zinc/29/46/37/921294637.db2.gz TYHWLZQFWHIBRY-PQNGQFLHSA-N 2 2 378.564 3.798 20 0 GHADLP CN(C)c1ccc(Nc2ccc(Br)cc2OCC[NH+](C)C)c[nH+]1 ZINC001175346251 907485640 /nfs/dbraw/zinc/48/56/40/907485640.db2.gz OUWIEVZWJZBCJV-UHFFFAOYSA-N 2 2 379.302 3.594 20 0 GHADLP C[C@@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185742927 907829786 /nfs/dbraw/zinc/82/97/86/907829786.db2.gz SGFKUVRSCCEEGT-CRAIPNDOSA-N 2 2 398.576 3.652 20 0 GHADLP C[C@@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185742927 907829797 /nfs/dbraw/zinc/82/97/97/907829797.db2.gz SGFKUVRSCCEEGT-CRAIPNDOSA-N 2 2 398.576 3.652 20 0 GHADLP CC(C)(C)OC(=O)NC1CCN(c2[nH+]cccc2Nc2ccc(C[NH3+])cc2)CC1 ZINC001175966247 907843296 /nfs/dbraw/zinc/84/32/96/907843296.db2.gz LNOTXMYCSTWGDP-UHFFFAOYSA-N 2 2 397.523 3.777 20 0 GHADLP Cc1oc2ccc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc2c1C ZINC000186794749 907986042 /nfs/dbraw/zinc/98/60/42/907986042.db2.gz RAVAXZVDTYUBSV-UHFFFAOYSA-N 2 2 384.524 3.730 20 0 GHADLP Cc1[nH+]ccn1Cc1ccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC001176383134 908060646 /nfs/dbraw/zinc/06/06/46/908060646.db2.gz MJCJGPPUBCVZQW-UHFFFAOYSA-N 2 2 376.504 3.858 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001176977093 908344861 /nfs/dbraw/zinc/34/48/61/908344861.db2.gz IDWQHPVESCRLFP-ZDUSSCGKSA-N 2 2 380.414 3.646 20 0 GHADLP CCC[NH+]1CCC([NH2+]Cc2ccc(OCCn3ccnc3)c(Cl)c2)CC1 ZINC001177127840 908400420 /nfs/dbraw/zinc/40/04/20/908400420.db2.gz RFCFSSYRJKILHA-UHFFFAOYSA-N 2 2 376.932 3.580 20 0 GHADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2I)C1 ZINC001177541776 908636035 /nfs/dbraw/zinc/63/60/35/908636035.db2.gz CGZHAQNJGJQVQP-GFCCVEGCSA-N 2 2 392.712 3.766 20 0 GHADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2I)C1 ZINC001177541776 908636042 /nfs/dbraw/zinc/63/60/42/908636042.db2.gz CGZHAQNJGJQVQP-GFCCVEGCSA-N 2 2 392.712 3.766 20 0 GHADLP CN(CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001177719242 908704869 /nfs/dbraw/zinc/70/48/69/908704869.db2.gz ZQSZREFFBPRGGF-LJQANCHMSA-N 2 2 375.557 3.886 20 0 GHADLP CN(CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001177719242 908704879 /nfs/dbraw/zinc/70/48/79/908704879.db2.gz ZQSZREFFBPRGGF-LJQANCHMSA-N 2 2 375.557 3.886 20 0 GHADLP C[N@@H+]1Cc2c(NC(=O)[C@H]3CCc4[nH+]ccn4C3)cccc2[C@H](c2ccccc2)C1 ZINC001178118221 908889750 /nfs/dbraw/zinc/88/97/50/908889750.db2.gz RKYDMPKYUYIDOS-ICSRJNTNSA-N 2 2 386.499 3.662 20 0 GHADLP C[N@@H+]1CC[C@@H](CC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000635498444 909273784 /nfs/dbraw/zinc/27/37/84/909273784.db2.gz DVKIKGNAVKBSOE-FQEVSTJZSA-N 2 2 388.515 3.556 20 0 GHADLP C[N@H+]1CC[C@@H](CC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000635498444 909273800 /nfs/dbraw/zinc/27/38/00/909273800.db2.gz DVKIKGNAVKBSOE-FQEVSTJZSA-N 2 2 388.515 3.556 20 0 GHADLP Brc1cccc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000267459029 909510528 /nfs/dbraw/zinc/51/05/28/909510528.db2.gz UONZCHXQEQTSFK-ZDUSSCGKSA-N 2 2 388.269 3.602 20 0 GHADLP Brc1cccc(-c2noc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000267459029 909510536 /nfs/dbraw/zinc/51/05/36/909510536.db2.gz UONZCHXQEQTSFK-ZDUSSCGKSA-N 2 2 388.269 3.602 20 0 GHADLP C[C@H]1C[C@@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000267508774 909535791 /nfs/dbraw/zinc/53/57/91/909535791.db2.gz LFZNKABAUWKTGB-CVDCTZTESA-N 2 2 388.515 3.714 20 0 GHADLP C[C@H]1C[C@@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000267508774 909535802 /nfs/dbraw/zinc/53/58/02/909535802.db2.gz LFZNKABAUWKTGB-CVDCTZTESA-N 2 2 388.515 3.714 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1Cl ZINC000268844061 910042040 /nfs/dbraw/zinc/04/20/40/910042040.db2.gz UUWCRJWTQGSBBZ-OAHLLOKOSA-N 2 2 389.902 3.718 20 0 GHADLP Cc1cc(C[NH3+])oc1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000638111971 910054480 /nfs/dbraw/zinc/05/44/80/910054480.db2.gz XHIWEUQHXQDMNZ-UHFFFAOYSA-N 2 2 396.318 3.748 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N[C@@]12CC[C@@]([NH2+]C)(C1)CCC2)c1ccccc1Cl ZINC001274450692 910063592 /nfs/dbraw/zinc/06/35/92/910063592.db2.gz FNZFOBXTRIFOPW-NRSPTQNISA-N 2 2 377.960 3.904 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CCC2(CC[N@H+](C)C2)CC1)c1ccccc1Cl ZINC001274451439 910070666 /nfs/dbraw/zinc/07/06/66/910070666.db2.gz UHOYVPIQUMHVFD-LJQANCHMSA-N 2 2 377.960 3.667 20 0 GHADLP CC[NH+](CC)[C@@H](C(=O)N1CCC2(CC[N@@H+](C)C2)CC1)c1ccccc1Cl ZINC001274451439 910070682 /nfs/dbraw/zinc/07/06/82/910070682.db2.gz UHOYVPIQUMHVFD-LJQANCHMSA-N 2 2 377.960 3.667 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1)c1ccc(Cl)cc1 ZINC001274453502 910077807 /nfs/dbraw/zinc/07/78/07/910077807.db2.gz ABCBKCZAFNFOBE-HSALFYBXSA-N 2 2 375.944 3.561 20 0 GHADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1)c1ccc(Cl)cc1 ZINC001274453502 910077813 /nfs/dbraw/zinc/07/78/13/910077813.db2.gz ABCBKCZAFNFOBE-HSALFYBXSA-N 2 2 375.944 3.561 20 0 GHADLP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000638632379 910205523 /nfs/dbraw/zinc/20/55/23/910205523.db2.gz WDFFYLRCSNVTDE-UHFFFAOYSA-N 2 2 394.441 3.612 20 0 GHADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639247324 910364477 /nfs/dbraw/zinc/36/44/77/910364477.db2.gz STKAKHLDGKCEID-JLMWRMLUSA-N 2 2 378.520 3.675 20 0 GHADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639247324 910364491 /nfs/dbraw/zinc/36/44/91/910364491.db2.gz STKAKHLDGKCEID-JLMWRMLUSA-N 2 2 378.520 3.675 20 0 GHADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC001181244313 910625680 /nfs/dbraw/zinc/62/56/80/910625680.db2.gz PDSKBJWUHVNNON-OALUTQOASA-N 2 2 397.563 3.696 20 0 GHADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC001181244313 910625688 /nfs/dbraw/zinc/62/56/88/910625688.db2.gz PDSKBJWUHVNNON-OALUTQOASA-N 2 2 397.563 3.696 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)CC1 ZINC000271234372 910828499 /nfs/dbraw/zinc/82/84/99/910828499.db2.gz WBWGCENTXKTFHX-UHFFFAOYSA-N 2 2 384.593 3.801 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N(CC[NH3+])c1ccc(F)cc1)c1ccccc1Cl ZINC001182220905 911314376 /nfs/dbraw/zinc/31/43/76/911314376.db2.gz GJIFAPHJHBWOJQ-IBGZPJMESA-N 2 2 377.891 3.854 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2)c1ccccc1Cl ZINC001182222945 911317431 /nfs/dbraw/zinc/31/74/31/911317431.db2.gz HDPPDVLBCBCESE-FQEVSTJZSA-N 2 2 389.971 3.667 20 0 GHADLP CC[NH+](CC)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2)c1ccccc1Cl ZINC001182222945 911317451 /nfs/dbraw/zinc/31/74/51/911317451.db2.gz HDPPDVLBCBCESE-FQEVSTJZSA-N 2 2 389.971 3.667 20 0 GHADLP O=C(NC1CC[NH+](CCF)CC1)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182245442 911329172 /nfs/dbraw/zinc/32/91/72/911329172.db2.gz SSPASJUSIJUUBF-FQEVSTJZSA-N 2 2 395.950 3.807 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774435551 911744321 /nfs/dbraw/zinc/74/43/21/911744321.db2.gz LFKDYJNOTUSJEZ-JLTOFOAXSA-N 2 2 394.346 3.863 20 0 GHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774435551 911744322 /nfs/dbraw/zinc/74/43/22/911744322.db2.gz LFKDYJNOTUSJEZ-JLTOFOAXSA-N 2 2 394.346 3.863 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)CC1 ZINC000642529519 912139813 /nfs/dbraw/zinc/13/98/13/912139813.db2.gz XPATUNMSVPAGET-GHTZIAJQSA-N 2 2 383.561 3.790 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)CC1 ZINC000642529519 912139818 /nfs/dbraw/zinc/13/98/18/912139818.db2.gz XPATUNMSVPAGET-GHTZIAJQSA-N 2 2 383.561 3.790 20 0 GHADLP CC(C)[NH+]1CCC(CCNc2[nH+]cnc3c2cnn3-c2ccccc2F)CC1 ZINC001187198034 915086528 /nfs/dbraw/zinc/08/65/28/915086528.db2.gz CUDWXJGMRNXEBQ-UHFFFAOYSA-N 2 2 382.487 3.877 20 0 GHADLP CN(C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C(c1ccccc1)c1ccccc1 ZINC000647899570 915431249 /nfs/dbraw/zinc/43/12/49/915431249.db2.gz POZLMVGOTRGLJP-GOTSBHOMSA-N 2 2 391.559 3.698 20 0 GHADLP CN(C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C(c1ccccc1)c1ccccc1 ZINC000647899570 915431250 /nfs/dbraw/zinc/43/12/50/915431250.db2.gz POZLMVGOTRGLJP-GOTSBHOMSA-N 2 2 391.559 3.698 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000648751271 915860590 /nfs/dbraw/zinc/86/05/90/915860590.db2.gz DSWULBRPMWRIDD-UHFFFAOYSA-N 2 2 376.504 3.881 20 0 GHADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000648890358 915925635 /nfs/dbraw/zinc/92/56/35/915925635.db2.gz PHBRUBDQHCYERD-KRWDZBQOSA-N 2 2 399.926 3.976 20 0 GHADLP CN(C(=O)c1ccc2ccncc2c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000649917669 916522586 /nfs/dbraw/zinc/52/25/86/916522586.db2.gz XCARZFQFBBJTDY-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1ccc2ccncc2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000649917669 916522592 /nfs/dbraw/zinc/52/25/92/916522592.db2.gz XCARZFQFBBJTDY-XZOQPEGZSA-N 2 2 394.563 3.644 20 0 GHADLP C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)c2ccccc2-n2cc[nH+]c2)CC1 ZINC001190098581 917094123 /nfs/dbraw/zinc/09/41/23/917094123.db2.gz YJTVSHHUTORSEE-UHFFFAOYSA-N 2 2 392.478 3.748 20 0 GHADLP C[N@@H+](Cc1ccc(F)cc1)C1CCN(C(=O)c2ccccc2-n2cc[nH+]c2)CC1 ZINC001190098581 917094134 /nfs/dbraw/zinc/09/41/34/917094134.db2.gz YJTVSHHUTORSEE-UHFFFAOYSA-N 2 2 392.478 3.748 20 0 GHADLP C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)c2ccccc2-n2cc[nH+]c2)CC1 ZINC001190097417 917094425 /nfs/dbraw/zinc/09/44/25/917094425.db2.gz MUBQFRNYABEPRO-UHFFFAOYSA-N 2 2 392.478 3.748 20 0 GHADLP CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000651427030 917606392 /nfs/dbraw/zinc/60/63/92/917606392.db2.gz YUISTGIPWWEKRU-ZLNRFVROSA-N 2 2 398.572 3.623 20 0 GHADLP CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000651427030 917606405 /nfs/dbraw/zinc/60/64/05/917606405.db2.gz YUISTGIPWWEKRU-ZLNRFVROSA-N 2 2 398.572 3.623 20 0 GHADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351498 917876957 /nfs/dbraw/zinc/87/69/57/917876957.db2.gz BBJMHTOYABTQHD-MRAWALMUSA-N 2 2 380.414 3.877 20 0 GHADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351498 917876966 /nfs/dbraw/zinc/87/69/66/917876966.db2.gz BBJMHTOYABTQHD-MRAWALMUSA-N 2 2 380.414 3.877 20 0 GHADLP COc1ccc(Cl)c(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1 ZINC001137263668 918705188 /nfs/dbraw/zinc/70/51/88/918705188.db2.gz XDSISGMXNBCVLO-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1ccc(Cl)c(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1 ZINC001137263668 918705193 /nfs/dbraw/zinc/70/51/93/918705193.db2.gz XDSISGMXNBCVLO-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1ccc(Cl)c(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c1 ZINC001137263668 918705199 /nfs/dbraw/zinc/70/51/99/918705199.db2.gz XDSISGMXNBCVLO-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP COc1ccc(Cl)c(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c1 ZINC001137263668 918705205 /nfs/dbraw/zinc/70/52/05/918705205.db2.gz XDSISGMXNBCVLO-WIYYLYMNSA-N 2 2 378.944 3.529 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc2ccccc2c1 ZINC000364403275 919417156 /nfs/dbraw/zinc/41/71/56/919417156.db2.gz ABKCTKGXUSLIBR-MBSDFSHPSA-N 2 2 379.548 3.570 20 0 GHADLP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc2ccccc2c1 ZINC000364403275 919417164 /nfs/dbraw/zinc/41/71/64/919417164.db2.gz ABKCTKGXUSLIBR-MBSDFSHPSA-N 2 2 379.548 3.570 20 0 GHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000297926501 919967736 /nfs/dbraw/zinc/96/77/36/919967736.db2.gz XKHBCARQTLTPFG-DFQSSKMNSA-N 2 2 385.939 3.585 20 0 GHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000297926501 919967755 /nfs/dbraw/zinc/96/77/55/919967755.db2.gz XKHBCARQTLTPFG-DFQSSKMNSA-N 2 2 385.939 3.585 20 0 GHADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccncc2OC[C@H]2CCOC2)CC1 ZINC000367579684 922211803 /nfs/dbraw/zinc/21/18/03/922211803.db2.gz HMGKJHFUAJZRIJ-DXIQSLLYSA-N 2 2 387.568 3.630 20 0 GHADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902467655 922220336 /nfs/dbraw/zinc/22/03/36/922220336.db2.gz QTMJLEFIYFMJPU-XPGAZNKBSA-N 2 2 375.822 3.558 20 0 GHADLP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc(Br)s1 ZINC000902500181 922242052 /nfs/dbraw/zinc/24/20/52/922242052.db2.gz CQMNMIVIFIQNOZ-XTQGRXLLSA-N 2 2 394.338 3.812 20 0 GHADLP Cc1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c(N2CCOCC2)c1 ZINC000902839464 922545558 /nfs/dbraw/zinc/54/55/58/922545558.db2.gz ROLCYIFEURNDOR-LJQANCHMSA-N 2 2 376.504 3.868 20 0 GHADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2nc(-c3cc(F)c(F)c(F)c3)no2)CCC1 ZINC000903812625 923309335 /nfs/dbraw/zinc/30/93/35/923309335.db2.gz UVOSBXDBPROMEI-OAHLLOKOSA-N 2 2 380.414 3.637 20 0 GHADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2nc(-c3cc(F)c(F)c(F)c3)no2)CCC1 ZINC000903812625 923309348 /nfs/dbraw/zinc/30/93/48/923309348.db2.gz UVOSBXDBPROMEI-OAHLLOKOSA-N 2 2 380.414 3.637 20 0 GHADLP COc1ccc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1OCc1ccccc1 ZINC000903972676 923444043 /nfs/dbraw/zinc/44/40/43/923444043.db2.gz JUURKGRISBJYJI-OAQYLSRUSA-N 2 2 396.531 3.523 20 0 GHADLP O=C1CCCN1C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000371105690 924430209 /nfs/dbraw/zinc/43/02/09/924430209.db2.gz FZOQNLMJLHROMI-FHWLQOOXSA-N 2 2 395.469 3.585 20 0 GHADLP O=C1CCCN1C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000371105690 924430213 /nfs/dbraw/zinc/43/02/13/924430213.db2.gz FZOQNLMJLHROMI-FHWLQOOXSA-N 2 2 395.469 3.585 20 0 GHADLP Cc1ccccc1-c1cnc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)o1 ZINC000677737563 924473663 /nfs/dbraw/zinc/47/36/63/924473663.db2.gz GKBWHQQFUZILMI-UHFFFAOYSA-N 2 2 382.552 3.640 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000677750335 924477111 /nfs/dbraw/zinc/47/71/11/924477111.db2.gz BNPGUENHQWUORN-DHIUTWEWSA-N 2 2 391.559 3.678 20 0 GHADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC000677750335 924477117 /nfs/dbraw/zinc/47/71/17/924477117.db2.gz BNPGUENHQWUORN-DHIUTWEWSA-N 2 2 391.559 3.678 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000677875132 924532688 /nfs/dbraw/zinc/53/26/88/924532688.db2.gz DNOPZNABHBWNRE-ICSRJNTNSA-N 2 2 391.462 3.575 20 0 GHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000677875132 924532699 /nfs/dbraw/zinc/53/26/99/924532699.db2.gz DNOPZNABHBWNRE-ICSRJNTNSA-N 2 2 391.462 3.575 20 0 GHADLP Cc1ccc([C@@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c(C)n1 ZINC000678414588 924761190 /nfs/dbraw/zinc/76/11/90/924761190.db2.gz VARDUDDKQOJOTA-OAQYLSRUSA-N 2 2 380.580 3.947 20 0 GHADLP O=C1[C@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000679213089 925067775 /nfs/dbraw/zinc/06/77/75/925067775.db2.gz ARYMGYDSBQJWGV-WMLDXEAASA-N 2 2 379.291 3.632 20 0 GHADLP O=C1[C@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000679213089 925067778 /nfs/dbraw/zinc/06/77/78/925067778.db2.gz ARYMGYDSBQJWGV-WMLDXEAASA-N 2 2 379.291 3.632 20 0 GHADLP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410291436 925504222 /nfs/dbraw/zinc/50/42/22/925504222.db2.gz OREDEOSAVIWCHH-IFMALSPDSA-N 2 2 392.547 3.590 20 0 GHADLP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410291436 925504226 /nfs/dbraw/zinc/50/42/26/925504226.db2.gz OREDEOSAVIWCHH-IFMALSPDSA-N 2 2 392.547 3.590 20 0 GHADLP CN(C(=O)N[C@H](c1ccccc1)C(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681211275 925762218 /nfs/dbraw/zinc/76/22/18/925762218.db2.gz RZMPVLWLWVBRDJ-NHCUHLMSSA-N 2 2 386.584 3.584 20 0 GHADLP CN(C(=O)N[C@H](c1ccccc1)C(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681211275 925762223 /nfs/dbraw/zinc/76/22/23/925762223.db2.gz RZMPVLWLWVBRDJ-NHCUHLMSSA-N 2 2 386.584 3.584 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)C2 ZINC000372949264 925783144 /nfs/dbraw/zinc/78/31/44/925783144.db2.gz MTBSPPKQXJCFRX-GHTZIAJQSA-N 2 2 380.536 3.591 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)CC2 ZINC000372949264 925783151 /nfs/dbraw/zinc/78/31/51/925783151.db2.gz MTBSPPKQXJCFRX-GHTZIAJQSA-N 2 2 380.536 3.591 20 0 GHADLP Cc1cc2ncc([C@H](C)[NH2+]C3CC([NH+]4CCC(C(F)(F)F)CC4)C3)c(C)n2n1 ZINC000373527776 926220940 /nfs/dbraw/zinc/22/09/40/926220940.db2.gz IKSYNTHNTCZWSS-IGEOTXOUSA-N 2 2 395.473 3.802 20 0 GHADLP C[C@@H](CC[NH+]1CCO[C@H](c2ccco2)C1)CC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000411321891 926301766 /nfs/dbraw/zinc/30/17/66/926301766.db2.gz CZYRZJDYOZZETB-RGPKIKJVSA-N 2 2 388.508 3.736 20 0 GHADLP C[C@H](CC[NH+]1CCO[C@@H](c2ccco2)C1)CC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000411321891 926301773 /nfs/dbraw/zinc/30/17/73/926301773.db2.gz CZYRZJDYOZZETB-RGPKIKJVSA-N 2 2 388.508 3.736 20 0 GHADLP C[C@H](CC[NH+]1CCO[C@@H](c2ccco2)C1)CC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000411321891 926301782 /nfs/dbraw/zinc/30/17/82/926301782.db2.gz CZYRZJDYOZZETB-RGPKIKJVSA-N 2 2 388.508 3.736 20 0 GHADLP CN(C(=O)[C@@]1(C)C[C@@H]1c1ccccc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000412214620 927216840 /nfs/dbraw/zinc/21/68/40/927216840.db2.gz MFQQVCHGNZDOMT-QENXHYHDSA-N 2 2 397.607 3.976 20 0 GHADLP CN(C(=O)[C@@]1(C)C[C@@H]1c1ccccc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000412214620 927216858 /nfs/dbraw/zinc/21/68/58/927216858.db2.gz MFQQVCHGNZDOMT-QENXHYHDSA-N 2 2 397.607 3.976 20 0 GHADLP O=C(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000467133732 928739938 /nfs/dbraw/zinc/73/99/38/928739938.db2.gz MOJMGRMKOXOTCY-NRFANRHFSA-N 2 2 394.544 3.947 20 0 GHADLP CC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000544178547 928895845 /nfs/dbraw/zinc/89/58/45/928895845.db2.gz NTBLTLSVLCXGQJ-LEWJYISDSA-N 2 2 392.532 3.992 20 0 GHADLP Brc1cccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CCOCC2)c1 ZINC000467423552 929056386 /nfs/dbraw/zinc/05/63/86/929056386.db2.gz NEBJHWCEGVYKNH-IEBWSBKVSA-N 2 2 390.325 3.718 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1nc(C(F)(F)F)cs1 ZINC000467738526 929357968 /nfs/dbraw/zinc/35/79/68/929357968.db2.gz WMFYORMXYHCACC-CYBMUJFWSA-N 2 2 399.482 3.969 20 0 GHADLP COc1ccc2c(c1)CC[C@H]([NH2+]C1CCN(c3ccc([NH+](C)C)cc3)CC1)C2 ZINC000753574733 929426465 /nfs/dbraw/zinc/42/64/65/929426465.db2.gz FXSVZSZSVQJXOK-NRFANRHFSA-N 2 2 379.548 3.877 20 0 GHADLP C[NH+](C)CCOc1cccc(-c2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)c1 ZINC000544739114 929520763 /nfs/dbraw/zinc/52/07/63/929520763.db2.gz GNTYZQCKPSDLGD-UHFFFAOYSA-N 2 2 375.432 3.530 20 0 GHADLP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000469354425 929814490 /nfs/dbraw/zinc/81/44/90/929814490.db2.gz QQQAFVXFCSMEBV-DEOSSOPVSA-N 2 2 391.559 3.776 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)CC1 ZINC000546619386 930299848 /nfs/dbraw/zinc/29/98/48/930299848.db2.gz KVDHELGHMCJAKG-LJQANCHMSA-N 2 2 396.478 3.673 20 0 GHADLP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3CC[NH+]3Cc3ccccc3)cc2)C1 ZINC000470081646 930366793 /nfs/dbraw/zinc/36/67/93/930366793.db2.gz NBBSXDVXZWNWKV-CVDCTZTESA-N 2 2 393.531 3.620 20 0 GHADLP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CC[NH+]3Cc3ccccc3)cc2)C1 ZINC000470081646 930366799 /nfs/dbraw/zinc/36/67/99/930366799.db2.gz NBBSXDVXZWNWKV-CVDCTZTESA-N 2 2 393.531 3.620 20 0 GHADLP C[C@H]1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)cc2)C1 ZINC000470081646 930366806 /nfs/dbraw/zinc/36/68/06/930366806.db2.gz NBBSXDVXZWNWKV-CVDCTZTESA-N 2 2 393.531 3.620 20 0 GHADLP C[C@H]1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)cc2)C1 ZINC000470081646 930366808 /nfs/dbraw/zinc/36/68/08/930366808.db2.gz NBBSXDVXZWNWKV-CVDCTZTESA-N 2 2 393.531 3.620 20 0 GHADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)c3ccccc32)CCSC1 ZINC000780725016 930586099 /nfs/dbraw/zinc/58/60/99/930586099.db2.gz OJSGIBWKULTFFA-LQWHRVPQSA-N 2 2 391.581 3.724 20 0 GHADLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccnn1-c1ccccc1 ZINC000547396590 930979185 /nfs/dbraw/zinc/97/91/85/930979185.db2.gz ZVVXLZYNOOSYLO-OFNKIYASSA-N 2 2 389.547 3.512 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470968606 931065127 /nfs/dbraw/zinc/06/51/27/931065127.db2.gz RKZJBHBNSRAFKA-JZXOWHBKSA-N 2 2 377.960 3.569 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470968606 931065116 /nfs/dbraw/zinc/06/51/16/931065116.db2.gz RKZJBHBNSRAFKA-JZXOWHBKSA-N 2 2 377.960 3.569 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470968606 931065124 /nfs/dbraw/zinc/06/51/24/931065124.db2.gz RKZJBHBNSRAFKA-JZXOWHBKSA-N 2 2 377.960 3.569 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470968606 931065135 /nfs/dbraw/zinc/06/51/35/931065135.db2.gz RKZJBHBNSRAFKA-JZXOWHBKSA-N 2 2 377.960 3.569 20 0 GHADLP COc1ccccc1[C@@H](CNc1cc[nH+]cc1Br)[NH+]1CCCC1 ZINC000547501368 931074678 /nfs/dbraw/zinc/07/46/78/931074678.db2.gz PERINOWNQUKVML-QGZVFWFLSA-N 2 2 376.298 3.524 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)CCOCC1)c1ccccc1 ZINC000925112931 931651418 /nfs/dbraw/zinc/65/14/18/931651418.db2.gz OEHRQCPQFDRMJF-PMOQBDJRSA-N 2 2 396.579 3.621 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000925177345 931691061 /nfs/dbraw/zinc/69/10/61/931691061.db2.gz CBTNORRZZXVYCV-NKELODKYSA-N 2 2 384.524 3.597 20 0 GHADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000925557861 931822517 /nfs/dbraw/zinc/82/25/17/931822517.db2.gz QBPGSJMMLDEIDY-HRSYOHRGSA-N 3 2 397.607 3.540 20 0 GHADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000925557861 931822528 /nfs/dbraw/zinc/82/25/28/931822528.db2.gz QBPGSJMMLDEIDY-HRSYOHRGSA-N 3 2 397.607 3.540 20 0 GHADLP COC(=O)c1csc([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000796788845 932068164 /nfs/dbraw/zinc/06/81/64/932068164.db2.gz SHMZMMDFOMWFHF-HNNXBMFYSA-N 2 2 387.549 3.920 20 0 GHADLP C[C@H](C1CC1)N(C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000558738637 932202980 /nfs/dbraw/zinc/20/29/80/932202980.db2.gz USIDCSAHPCUVPO-XMSQKQJNSA-N 2 2 383.580 3.666 20 0 GHADLP C[C@H](C1CC1)N(C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000558738637 932202985 /nfs/dbraw/zinc/20/29/85/932202985.db2.gz USIDCSAHPCUVPO-XMSQKQJNSA-N 2 2 383.580 3.666 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)C3(Br)CC3)CC2)cc1 ZINC000926528537 932217593 /nfs/dbraw/zinc/21/75/93/932217593.db2.gz RIWMKEGGFNWQEK-AWEZNQCLSA-N 2 2 394.357 3.515 20 0 GHADLP C[C@H](CCO)[N@@H+](Cc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560165575 933103518 /nfs/dbraw/zinc/10/35/18/933103518.db2.gz FNLLINNRWUFCDB-QPPBQGQZSA-N 2 2 382.548 3.551 20 0 GHADLP C[C@H](CCO)[N@H+](Cc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560165575 933103520 /nfs/dbraw/zinc/10/35/20/933103520.db2.gz FNLLINNRWUFCDB-QPPBQGQZSA-N 2 2 382.548 3.551 20 0 GHADLP C[C@H](CCO)[NH+](Cc1ccccc1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000560165575 933103523 /nfs/dbraw/zinc/10/35/23/933103523.db2.gz FNLLINNRWUFCDB-QPPBQGQZSA-N 2 2 382.548 3.551 20 0 GHADLP C[C@H](CCO)[NH+](Cc1ccccc1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000560165575 933103525 /nfs/dbraw/zinc/10/35/25/933103525.db2.gz FNLLINNRWUFCDB-QPPBQGQZSA-N 2 2 382.548 3.551 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CSc1nc2ccccc2s1 ZINC001116061756 933312689 /nfs/dbraw/zinc/31/26/89/933312689.db2.gz PNPYHERLYMLMCI-UHFFFAOYSA-N 2 2 381.486 3.916 20 0 GHADLP Cc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)nn1-c1cccc(Cl)c1 ZINC001116496962 933592308 /nfs/dbraw/zinc/59/23/08/933592308.db2.gz ZZQZOVXAMASXMI-UHFFFAOYSA-N 2 2 392.850 3.976 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000561194679 933946864 /nfs/dbraw/zinc/94/68/64/933946864.db2.gz SFKOOLXFCAZFCG-WSTZPKSXSA-N 2 2 382.552 3.804 20 0 GHADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000561194679 933946871 /nfs/dbraw/zinc/94/68/71/933946871.db2.gz SFKOOLXFCAZFCG-WSTZPKSXSA-N 2 2 382.552 3.804 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+]2CCCC2)o1 ZINC000561215169 933964866 /nfs/dbraw/zinc/96/48/66/933964866.db2.gz AJPQOQVSWNZSOD-WOJBJXKFSA-N 2 2 392.503 3.786 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC001117992955 934072839 /nfs/dbraw/zinc/07/28/39/934072839.db2.gz JMHPLCZQBMWPRC-ZSXJVMONSA-N 4 2 394.692 3.727 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC001117992955 934072849 /nfs/dbraw/zinc/07/28/49/934072849.db2.gz JMHPLCZQBMWPRC-ZSXJVMONSA-N 4 2 394.692 3.727 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)[C@H](C)C1 ZINC001117992955 934072855 /nfs/dbraw/zinc/07/28/55/934072855.db2.gz JMHPLCZQBMWPRC-ZSXJVMONSA-N 4 2 394.692 3.727 20 0 GHADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)[C@H](C)C1 ZINC001117992955 934072864 /nfs/dbraw/zinc/07/28/64/934072864.db2.gz JMHPLCZQBMWPRC-ZSXJVMONSA-N 2 2 394.692 3.727 20 0 GHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000562083760 934681967 /nfs/dbraw/zinc/68/19/67/934681967.db2.gz HCSXODLWSGPIBB-IBGZPJMESA-N 2 2 377.492 3.757 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000562083760 934682004 /nfs/dbraw/zinc/68/20/04/934682004.db2.gz HCSXODLWSGPIBB-IBGZPJMESA-N 2 2 377.492 3.757 20 0 GHADLP CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001121706080 934743666 /nfs/dbraw/zinc/74/36/66/934743666.db2.gz CNYXBXNLUCONID-PZJWPPBQSA-N 2 2 396.583 3.556 20 0 GHADLP CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001121706080 934743668 /nfs/dbraw/zinc/74/36/68/934743668.db2.gz CNYXBXNLUCONID-PZJWPPBQSA-N 2 2 396.583 3.556 20 0 GHADLP C[C@@H](C(=O)N1C[C@@H](C)[NH+](Cc2ccccc2)C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC001137552980 935581714 /nfs/dbraw/zinc/58/17/14/935581714.db2.gz JBJAOHHLQSUESD-HKBOAZHASA-N 2 2 391.559 3.555 20 0 GHADLP C[C@@H](C(=O)N1C[C@@H](C)[NH+](Cc2ccccc2)C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC001137552980 935581716 /nfs/dbraw/zinc/58/17/16/935581716.db2.gz JBJAOHHLQSUESD-HKBOAZHASA-N 2 2 391.559 3.555 20 0 GHADLP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC001137552980 935581718 /nfs/dbraw/zinc/58/17/18/935581718.db2.gz JBJAOHHLQSUESD-HKBOAZHASA-N 2 2 391.559 3.555 20 0 GHADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC001137552980 935581721 /nfs/dbraw/zinc/58/17/21/935581721.db2.gz JBJAOHHLQSUESD-HKBOAZHASA-N 2 2 391.559 3.555 20 0 GHADLP FC(F)(F)[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@@H](C(F)(F)F)C3)c2)C1 ZINC000828529459 935653823 /nfs/dbraw/zinc/65/38/23/935653823.db2.gz NBGXMUQLUOEJAQ-HUUCEWRRSA-N 2 2 381.364 3.850 20 0 GHADLP FC(F)(F)[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@@H](C(F)(F)F)C3)c2)C1 ZINC000828529459 935653825 /nfs/dbraw/zinc/65/38/25/935653825.db2.gz NBGXMUQLUOEJAQ-HUUCEWRRSA-N 2 2 381.364 3.850 20 0 GHADLP Fc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001137652480 935672993 /nfs/dbraw/zinc/67/29/93/935672993.db2.gz WJSKTHVHNQFAEN-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001137652480 935672996 /nfs/dbraw/zinc/67/29/96/935672996.db2.gz WJSKTHVHNQFAEN-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001137652480 935672999 /nfs/dbraw/zinc/67/29/99/935672999.db2.gz WJSKTHVHNQFAEN-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001137652480 935673002 /nfs/dbraw/zinc/67/30/02/935673002.db2.gz WJSKTHVHNQFAEN-WIYYLYMNSA-N 2 2 389.902 3.597 20 0 GHADLP Fc1cc(Cl)ccc1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001137659249 935682568 /nfs/dbraw/zinc/68/25/68/935682568.db2.gz OPGTWHIGYWSHNT-UHFFFAOYSA-N 2 2 376.907 3.720 20 0 GHADLP Fc1cc(Cl)ccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001137659249 935682571 /nfs/dbraw/zinc/68/25/71/935682571.db2.gz OPGTWHIGYWSHNT-UHFFFAOYSA-N 2 2 376.907 3.720 20 0 GHADLP Cc1nn(C)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001137748453 935768067 /nfs/dbraw/zinc/76/80/67/935768067.db2.gz BALUZQGHMANSCF-VDGAXYAQSA-N 2 2 387.959 3.509 20 0 GHADLP Cc1nn(C)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001137748453 935768069 /nfs/dbraw/zinc/76/80/69/935768069.db2.gz BALUZQGHMANSCF-VDGAXYAQSA-N 2 2 387.959 3.509 20 0 GHADLP Cc1nn(C)c(Cl)c1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001137748453 935768071 /nfs/dbraw/zinc/76/80/71/935768071.db2.gz BALUZQGHMANSCF-VDGAXYAQSA-N 2 2 387.959 3.509 20 0 GHADLP Cc1nn(C)c(Cl)c1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001137748453 935768072 /nfs/dbraw/zinc/76/80/72/935768072.db2.gz BALUZQGHMANSCF-VDGAXYAQSA-N 2 2 387.959 3.509 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1scnc1Cl)CC2 ZINC001137818827 935806592 /nfs/dbraw/zinc/80/65/92/935806592.db2.gz ZCYDPQGKHOSWAJ-AWEZNQCLSA-N 2 2 381.929 3.645 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1scnc1Cl)CC2 ZINC001137818827 935806594 /nfs/dbraw/zinc/80/65/94/935806594.db2.gz ZCYDPQGKHOSWAJ-AWEZNQCLSA-N 2 2 381.929 3.645 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000468389932 1015657451 /nfs/dbraw/zinc/65/74/51/1015657451.db2.gz OFJOHPHAOFOLFF-JOCHJYFZSA-N 2 2 381.520 3.620 20 0 GHADLP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000468389932 1015657457 /nfs/dbraw/zinc/65/74/57/1015657457.db2.gz OFJOHPHAOFOLFF-JOCHJYFZSA-N 2 2 381.520 3.620 20 0 GHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1ccc2c(c1)CCCC2 ZINC000545504551 1015960331 /nfs/dbraw/zinc/96/03/31/1015960331.db2.gz SSTJIVGBMQXUAC-MRXNPFEDSA-N 2 2 398.576 3.907 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001204158127 1032609416 /nfs/dbraw/zinc/60/94/16/1032609416.db2.gz JWLVJLSPJOSSKL-QGZVFWFLSA-N 2 2 398.469 3.945 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001204158127 1032609425 /nfs/dbraw/zinc/60/94/25/1032609425.db2.gz JWLVJLSPJOSSKL-QGZVFWFLSA-N 2 2 398.469 3.945 20 0 GHADLP CCc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)cc1 ZINC001204177337 1032628614 /nfs/dbraw/zinc/62/86/14/1032628614.db2.gz PJRFEPGADUUYFU-IFMALSPDSA-N 2 2 385.577 3.737 20 0 GHADLP CCc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)cc1 ZINC001204177337 1032628618 /nfs/dbraw/zinc/62/86/18/1032628618.db2.gz PJRFEPGADUUYFU-IFMALSPDSA-N 2 2 385.577 3.737 20 0 GHADLP CCc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4csc(C)n4)CCO[C@@H]3C2)cc1 ZINC001204177337 1032628624 /nfs/dbraw/zinc/62/86/24/1032628624.db2.gz PJRFEPGADUUYFU-IFMALSPDSA-N 2 2 385.577 3.737 20 0 GHADLP CCc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4csc(C)n4)CCO[C@@H]3C2)cc1 ZINC001204177337 1032628646 /nfs/dbraw/zinc/62/86/46/1032628646.db2.gz PJRFEPGADUUYFU-IFMALSPDSA-N 2 2 385.577 3.737 20 0 GHADLP CCOc1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)ccc1OC ZINC001204185658 1032639434 /nfs/dbraw/zinc/63/94/34/1032639434.db2.gz NQEINRBPLHUKFR-FGZHOGPDSA-N 2 2 380.532 3.966 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1 ZINC001204266454 1032709361 /nfs/dbraw/zinc/70/93/61/1032709361.db2.gz XEHVWENWWHIHNK-UHFFFAOYSA-N 3 2 385.596 3.858 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1 ZINC001204266454 1032709379 /nfs/dbraw/zinc/70/93/79/1032709379.db2.gz XEHVWENWWHIHNK-UHFFFAOYSA-N 3 2 385.596 3.858 20 0 GHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccnc(OC(F)F)c3)CC2)cc1 ZINC000560266641 1017582519 /nfs/dbraw/zinc/58/25/19/1017582519.db2.gz ZALKWWKYCWIGJG-UHFFFAOYSA-N 2 2 379.426 3.619 20 0 GHADLP C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000561076665 1017788822 /nfs/dbraw/zinc/78/88/22/1017788822.db2.gz GJDRNKPIEAOLLA-RBUKOAKNSA-N 2 2 388.515 3.623 20 0 GHADLP COc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000561749784 1017938536 /nfs/dbraw/zinc/93/85/36/1017938536.db2.gz IUBHFLZCOGZDIZ-UHFFFAOYSA-N 2 2 384.307 3.627 20 0 GHADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000562905725 1018785841 /nfs/dbraw/zinc/78/58/41/1018785841.db2.gz VISGAYUXDZOIGU-GJZGRUSLSA-N 2 2 379.346 3.554 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1Cl ZINC000564986443 1019137185 /nfs/dbraw/zinc/13/71/85/1019137185.db2.gz OVCGOECPQNTUKI-FPOVZHCZSA-N 2 2 387.911 3.699 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1Cl ZINC000564986443 1019137191 /nfs/dbraw/zinc/13/71/91/1019137191.db2.gz OVCGOECPQNTUKI-FPOVZHCZSA-N 2 2 387.911 3.699 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC001204415976 1032845638 /nfs/dbraw/zinc/84/56/38/1032845638.db2.gz PVYMCAPRKZLTSM-IBGZPJMESA-N 2 2 386.458 3.908 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC001204415976 1032845645 /nfs/dbraw/zinc/84/56/45/1032845645.db2.gz PVYMCAPRKZLTSM-IBGZPJMESA-N 2 2 386.458 3.908 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC001204415976 1032845662 /nfs/dbraw/zinc/84/56/62/1032845662.db2.gz PVYMCAPRKZLTSM-IBGZPJMESA-N 2 2 386.458 3.908 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC001204415976 1032845680 /nfs/dbraw/zinc/84/56/80/1032845680.db2.gz PVYMCAPRKZLTSM-IBGZPJMESA-N 2 2 386.458 3.908 20 0 GHADLP O=C(CC[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)Nc1cccc(F)c1 ZINC000576272988 1019996123 /nfs/dbraw/zinc/99/61/23/1019996123.db2.gz XPBJXKQONVFRQE-UHFFFAOYSA-N 2 2 387.421 3.549 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(Cl)c1Cl ZINC000579385658 1020410149 /nfs/dbraw/zinc/41/01/49/1020410149.db2.gz IMHWAPUJFPYNCY-FFHGMXDLSA-N 2 2 384.351 3.728 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(Cl)c1Cl ZINC000579385658 1020410154 /nfs/dbraw/zinc/41/01/54/1020410154.db2.gz IMHWAPUJFPYNCY-FFHGMXDLSA-N 2 2 384.351 3.728 20 0 GHADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c(F)cccc4C(F)(F)F)C[C@@H]3C2)cn1 ZINC001204458671 1032901860 /nfs/dbraw/zinc/90/18/60/1032901860.db2.gz ATCROZREIXGESA-CVEARBPZSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c(F)cccc4C(F)(F)F)C[C@@H]3C2)cn1 ZINC001204458671 1032901862 /nfs/dbraw/zinc/90/18/62/1032901862.db2.gz ATCROZREIXGESA-CVEARBPZSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c(F)cccc4C(F)(F)F)C[C@@H]3C2)cn1 ZINC001204458671 1032901867 /nfs/dbraw/zinc/90/18/67/1032901867.db2.gz ATCROZREIXGESA-CVEARBPZSA-N 2 2 396.432 3.532 20 0 GHADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c(F)cccc4C(F)(F)F)C[C@@H]3C2)cn1 ZINC001204458671 1032901875 /nfs/dbraw/zinc/90/18/75/1032901875.db2.gz ATCROZREIXGESA-CVEARBPZSA-N 2 2 396.432 3.532 20 0 GHADLP C[NH+](C)C1(CNc2nc(-c3ccsc3)nc3ccccc32)CC[NH+](C)CC1 ZINC001156185090 1032916026 /nfs/dbraw/zinc/91/60/26/1032916026.db2.gz MGQMHBRRMZARNG-UHFFFAOYSA-N 2 2 381.549 3.796 20 0 GHADLP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000633379651 1020927693 /nfs/dbraw/zinc/92/76/93/1020927693.db2.gz ZTTCHTMOKRVBAG-LJQANCHMSA-N 2 2 375.900 3.652 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801572852 1021413275 /nfs/dbraw/zinc/41/32/75/1021413275.db2.gz LWNUQXIHWAHSJG-QFIPXVFZSA-N 2 2 384.524 3.917 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801572852 1021413281 /nfs/dbraw/zinc/41/32/81/1021413281.db2.gz LWNUQXIHWAHSJG-QFIPXVFZSA-N 2 2 384.524 3.917 20 0 GHADLP c1csc(-c2ccccc2C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)n1 ZINC001140451233 1021739163 /nfs/dbraw/zinc/73/91/63/1021739163.db2.gz JPOYWWNGLTWBRM-OALUTQOASA-N 2 2 376.529 3.769 20 0 GHADLP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001204649311 1033013603 /nfs/dbraw/zinc/01/36/03/1033013603.db2.gz YKUSVGHWXXHREL-HXUWFJFHSA-N 2 2 377.492 3.853 20 0 GHADLP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001204649311 1033013618 /nfs/dbraw/zinc/01/36/18/1033013618.db2.gz YKUSVGHWXXHREL-HXUWFJFHSA-N 2 2 377.492 3.853 20 0 GHADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(Cl)ccc1C(F)(F)F ZINC001140565357 1021980824 /nfs/dbraw/zinc/98/08/24/1021980824.db2.gz DNKIMOPRBSEXGH-DLBZAZTESA-N 2 2 375.866 3.569 20 0 GHADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(Cl)ccc1C(F)(F)F ZINC001140565357 1021980833 /nfs/dbraw/zinc/98/08/33/1021980833.db2.gz DNKIMOPRBSEXGH-DLBZAZTESA-N 2 2 375.866 3.569 20 0 GHADLP Cc1cc(C[N@H+](Cc2ccccc2)Cc2ccccc2N2CC[NH+](C)CC2)on1 ZINC001140974566 1023052781 /nfs/dbraw/zinc/05/27/81/1023052781.db2.gz DCHIVKCOEMFMHB-UHFFFAOYSA-N 2 2 390.531 3.937 20 0 GHADLP Cc1cc(C[N@@H+](Cc2ccccc2)Cc2ccccc2N2CC[NH+](C)CC2)on1 ZINC001140974566 1023052788 /nfs/dbraw/zinc/05/27/88/1023052788.db2.gz DCHIVKCOEMFMHB-UHFFFAOYSA-N 2 2 390.531 3.937 20 0 GHADLP C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000755865588 1023407172 /nfs/dbraw/zinc/40/71/72/1023407172.db2.gz AHUHALMJRBHMHM-RXVVDRJESA-N 2 2 375.472 3.940 20 0 GHADLP C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000755865588 1023407183 /nfs/dbraw/zinc/40/71/83/1023407183.db2.gz AHUHALMJRBHMHM-RXVVDRJESA-N 2 2 375.472 3.940 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000755987771 1023467576 /nfs/dbraw/zinc/46/75/76/1023467576.db2.gz CUADKZOOYMJXAH-HGHGUNKESA-N 2 2 399.485 3.713 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000755987771 1023467582 /nfs/dbraw/zinc/46/75/82/1023467582.db2.gz CUADKZOOYMJXAH-HGHGUNKESA-N 2 2 399.485 3.713 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC001204897343 1033152816 /nfs/dbraw/zinc/15/28/16/1033152816.db2.gz XBVBWNVTNJKFBZ-IBGZPJMESA-N 2 2 399.560 3.626 20 0 GHADLP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC001204897343 1033152804 /nfs/dbraw/zinc/15/28/04/1033152804.db2.gz XBVBWNVTNJKFBZ-IBGZPJMESA-N 2 2 399.560 3.626 20 0 GHADLP Cc1ccc(O[C@H]2C[C@H]3CN(Cc4cccc(-n5cc[nH+]c5)c4)CC[N@@H+]3C2)cc1 ZINC001141241210 1024243447 /nfs/dbraw/zinc/24/34/47/1024243447.db2.gz GALAXUGISGCLPQ-UPVQGACJSA-N 2 2 388.515 3.518 20 0 GHADLP Cc1ccc(O[C@H]2C[C@H]3CN(Cc4cccc(-n5cc[nH+]c5)c4)CC[N@H+]3C2)cc1 ZINC001141241210 1024243470 /nfs/dbraw/zinc/24/34/70/1024243470.db2.gz GALAXUGISGCLPQ-UPVQGACJSA-N 2 2 388.515 3.518 20 0 GHADLP CN1C(=O)C2(CC[NH+](Cc3cccc(-n4cc[nH+]c4)c3)CC2)[C@@H]1c1ccccc1 ZINC001141242176 1024245340 /nfs/dbraw/zinc/24/53/40/1024245340.db2.gz RMGNKFAFHLYJSW-QFIPXVFZSA-N 2 2 386.499 3.668 20 0 GHADLP c1cc(N2CCCCC2)oc1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001138174692 1024301400 /nfs/dbraw/zinc/30/14/00/1024301400.db2.gz LIPBLUDAESTYFY-UHFFFAOYSA-N 2 2 397.567 3.511 20 0 GHADLP c1cc(N2CCCCC2)oc1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001138174692 1024301419 /nfs/dbraw/zinc/30/14/19/1024301419.db2.gz LIPBLUDAESTYFY-UHFFFAOYSA-N 2 2 397.567 3.511 20 0 GHADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1c[nH]c3ccc(Br)cc13)CC2 ZINC001138318489 1024646856 /nfs/dbraw/zinc/64/68/56/1024646856.db2.gz MOXVNUINTLSFCT-UHFFFAOYSA-N 2 2 391.313 3.560 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3[nH]c4ccccc4c3C)CC2)CC1 ZINC001138397713 1024774063 /nfs/dbraw/zinc/77/40/63/1024774063.db2.gz AWMABUJNXBRIKK-UHFFFAOYSA-N 2 2 383.536 3.716 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)cc1 ZINC001138550472 1024999038 /nfs/dbraw/zinc/99/90/38/1024999038.db2.gz UUQRIZQILCMFQV-PMACEKPBSA-N 2 2 382.508 3.764 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)cc1 ZINC001138550472 1024999047 /nfs/dbraw/zinc/99/90/47/1024999047.db2.gz UUQRIZQILCMFQV-PMACEKPBSA-N 2 2 382.508 3.764 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3N3CCCC3)CC2)C1 ZINC001138609133 1025099108 /nfs/dbraw/zinc/09/91/08/1025099108.db2.gz IQSNOGWNMFHBET-OAQYLSRUSA-N 2 2 399.579 3.526 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3N3CCCC3)CC2)C1 ZINC001138609133 1025099112 /nfs/dbraw/zinc/09/91/12/1025099112.db2.gz IQSNOGWNMFHBET-OAQYLSRUSA-N 2 2 399.579 3.526 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccn1-c1ccccc1F)C2 ZINC001138630333 1025133075 /nfs/dbraw/zinc/13/30/75/1025133075.db2.gz DPSZRMRWQHPYDS-RDPSFJRHSA-N 2 2 397.538 3.797 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccn1-c1ccccc1F)C2 ZINC001138630333 1025133084 /nfs/dbraw/zinc/13/30/84/1025133084.db2.gz DPSZRMRWQHPYDS-RDPSFJRHSA-N 2 2 397.538 3.797 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccn1-c1ccccc1F)C2 ZINC001138630333 1025133090 /nfs/dbraw/zinc/13/30/90/1025133090.db2.gz DPSZRMRWQHPYDS-RDPSFJRHSA-N 2 2 397.538 3.797 20 0 GHADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccn1-c1ccccc1F)C2 ZINC001138630333 1025133097 /nfs/dbraw/zinc/13/30/97/1025133097.db2.gz DPSZRMRWQHPYDS-RDPSFJRHSA-N 2 2 397.538 3.797 20 0 GHADLP CCSc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001138655903 1025172178 /nfs/dbraw/zinc/17/21/78/1025172178.db2.gz SLKWGTAKYNOAGS-CEWLAPEOSA-N 2 2 397.592 3.716 20 0 GHADLP CCSc1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001138655903 1025172186 /nfs/dbraw/zinc/17/21/86/1025172186.db2.gz SLKWGTAKYNOAGS-CEWLAPEOSA-N 2 2 397.592 3.716 20 0 GHADLP CCSc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001138655903 1025172190 /nfs/dbraw/zinc/17/21/90/1025172190.db2.gz SLKWGTAKYNOAGS-CEWLAPEOSA-N 2 2 397.592 3.716 20 0 GHADLP CCSc1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001138655903 1025172195 /nfs/dbraw/zinc/17/21/95/1025172195.db2.gz SLKWGTAKYNOAGS-CEWLAPEOSA-N 2 2 397.592 3.716 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnc4ccccc4n3)C[C@H]21 ZINC001138866637 1025492763 /nfs/dbraw/zinc/49/27/63/1025492763.db2.gz SSRBKGPPORLTEB-MEKIYTOJSA-N 2 2 387.531 3.757 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnc4ccccc4n3)C[C@H]21 ZINC001138866637 1025492768 /nfs/dbraw/zinc/49/27/68/1025492768.db2.gz SSRBKGPPORLTEB-MEKIYTOJSA-N 2 2 387.531 3.757 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc4ccccc4n3)C[C@H]21 ZINC001138866637 1025492778 /nfs/dbraw/zinc/49/27/78/1025492778.db2.gz SSRBKGPPORLTEB-MEKIYTOJSA-N 2 2 387.531 3.757 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc4ccccc4n3)C[C@H]21 ZINC001138866637 1025492790 /nfs/dbraw/zinc/49/27/90/1025492790.db2.gz SSRBKGPPORLTEB-MEKIYTOJSA-N 2 2 387.531 3.757 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnc4ccccc4n3)C[C@@H]21 ZINC001138866638 1025493330 /nfs/dbraw/zinc/49/33/30/1025493330.db2.gz SSRBKGPPORLTEB-NSXLHWASSA-N 2 2 387.531 3.757 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnc4ccccc4n3)C[C@@H]21 ZINC001138866638 1025493335 /nfs/dbraw/zinc/49/33/35/1025493335.db2.gz SSRBKGPPORLTEB-NSXLHWASSA-N 2 2 387.531 3.757 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cnc4ccccc4n3)C[C@@H]21 ZINC001138866638 1025493340 /nfs/dbraw/zinc/49/33/40/1025493340.db2.gz SSRBKGPPORLTEB-NSXLHWASSA-N 2 2 387.531 3.757 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc4ccccc4n3)C[C@@H]21 ZINC001138866638 1025493343 /nfs/dbraw/zinc/49/33/43/1025493343.db2.gz SSRBKGPPORLTEB-NSXLHWASSA-N 2 2 387.531 3.757 20 0 GHADLP Cc1nc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c2c([nH+]1)CCCC2 ZINC001162132342 1025624303 /nfs/dbraw/zinc/62/43/03/1025624303.db2.gz NFJZIJDOESKIDK-CALCHBBNSA-N 2 2 380.536 3.885 20 0 GHADLP Cc1nc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c2c([nH+]1)CCCC2 ZINC001162132342 1025624313 /nfs/dbraw/zinc/62/43/13/1025624313.db2.gz NFJZIJDOESKIDK-CALCHBBNSA-N 2 2 380.536 3.885 20 0 GHADLP COc1c[nH+]c(N[C@@H](CC2CC[NH2+]CC2)c2ccccc2F)nc1NC(C)C ZINC001162231672 1025681355 /nfs/dbraw/zinc/68/13/55/1025681355.db2.gz YFNZZHZIZUENKO-SFHVURJKSA-N 2 2 387.503 3.988 20 0 GHADLP CCOc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1OCC ZINC001138972795 1025690705 /nfs/dbraw/zinc/69/07/05/1025690705.db2.gz ZYFHMTIFLJMTIO-QHCPKHFHSA-N 2 2 390.568 3.807 20 0 GHADLP CCOc1ccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1OCC ZINC001138972795 1025690717 /nfs/dbraw/zinc/69/07/17/1025690717.db2.gz ZYFHMTIFLJMTIO-QHCPKHFHSA-N 2 2 390.568 3.807 20 0 GHADLP CCOc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)cc1OCC ZINC001138972795 1025690727 /nfs/dbraw/zinc/69/07/27/1025690727.db2.gz ZYFHMTIFLJMTIO-QHCPKHFHSA-N 2 2 390.568 3.807 20 0 GHADLP CCOc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)cc1OCC ZINC001138972795 1025690736 /nfs/dbraw/zinc/69/07/36/1025690736.db2.gz ZYFHMTIFLJMTIO-QHCPKHFHSA-N 2 2 390.568 3.807 20 0 GHADLP COc1ccc(C2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC001139062911 1025858093 /nfs/dbraw/zinc/85/80/93/1025858093.db2.gz XLVCUUOCAMAANP-UHFFFAOYSA-N 2 2 380.532 3.907 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC001139065912 1025862736 /nfs/dbraw/zinc/86/27/36/1025862736.db2.gz ULXAUCLDPBCJJS-GOSISDBHSA-N 2 2 399.535 3.996 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC001139065912 1025862771 /nfs/dbraw/zinc/86/27/71/1025862771.db2.gz ULXAUCLDPBCJJS-GOSISDBHSA-N 2 2 399.535 3.996 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(Oc4ncccn4)cc3)C2)C1 ZINC001139078047 1025887452 /nfs/dbraw/zinc/88/74/52/1025887452.db2.gz OOGBVXXYQCNLGF-QHCPKHFHSA-N 2 2 396.535 3.592 20 0 GHADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(Oc4ncccn4)cc3)C2)C1 ZINC001139078047 1025887469 /nfs/dbraw/zinc/88/74/69/1025887469.db2.gz OOGBVXXYQCNLGF-QHCPKHFHSA-N 2 2 396.535 3.592 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(Oc4ncccn4)cc3)C2)C1 ZINC001139078047 1025887497 /nfs/dbraw/zinc/88/74/97/1025887497.db2.gz OOGBVXXYQCNLGF-QHCPKHFHSA-N 2 2 396.535 3.592 20 0 GHADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C2)C1 ZINC001139078047 1025887521 /nfs/dbraw/zinc/88/75/21/1025887521.db2.gz OOGBVXXYQCNLGF-QHCPKHFHSA-N 2 2 396.535 3.592 20 0 GHADLP COc1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC001461062320 1069369243 /nfs/dbraw/zinc/36/92/43/1069369243.db2.gz PVMFSFKBWBRNOG-UHFFFAOYSA-N 2 2 381.564 3.691 20 0 GHADLP Nc1c(Cl)cccc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001461062962 1069371020 /nfs/dbraw/zinc/37/10/20/1069371020.db2.gz WAZLQRRUQBNIEQ-UHFFFAOYSA-N 2 2 386.971 3.610 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139399641 1026270586 /nfs/dbraw/zinc/27/05/86/1026270586.db2.gz PFPNMEKTPOKAPY-LJQANCHMSA-N 2 2 391.515 3.908 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139399641 1026270597 /nfs/dbraw/zinc/27/05/97/1026270597.db2.gz PFPNMEKTPOKAPY-LJQANCHMSA-N 2 2 391.515 3.908 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001139399641 1026270605 /nfs/dbraw/zinc/27/06/05/1026270605.db2.gz PFPNMEKTPOKAPY-LJQANCHMSA-N 2 2 391.515 3.908 20 0 GHADLP COC(=O)c1[nH]c2ccccc2c1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139399641 1026270616 /nfs/dbraw/zinc/27/06/16/1026270616.db2.gz PFPNMEKTPOKAPY-LJQANCHMSA-N 2 2 391.515 3.908 20 0 GHADLP COc1cc(C[NH+]2CCOCC2)ccc1-n1c(C)c(C)c2cc(C[NH3+])ccc21 ZINC001163761357 1026306313 /nfs/dbraw/zinc/30/63/13/1026306313.db2.gz BGYAZXYMZLOCIK-UHFFFAOYSA-N 2 2 379.504 3.547 20 0 GHADLP c1ccc(C[NH+]2CCN(c3ccccc3C[NH+]3CC4(C3)CCCCO4)CC2)cc1 ZINC001139515217 1026372048 /nfs/dbraw/zinc/37/20/48/1026372048.db2.gz YMMICOLLAXLJQC-UHFFFAOYSA-N 2 2 391.559 3.764 20 0 GHADLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(Cl)ccn1)CC2 ZINC001139561719 1026432755 /nfs/dbraw/zinc/43/27/55/1026432755.db2.gz HBZRXJJJYUSHKO-GOSISDBHSA-N 2 2 375.900 3.584 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(Cl)ccn1)CC2 ZINC001139561719 1026432758 /nfs/dbraw/zinc/43/27/58/1026432758.db2.gz HBZRXJJJYUSHKO-GOSISDBHSA-N 2 2 375.900 3.584 20 0 GHADLP CC1(C)c2c[nH+]c(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc2NC1=O ZINC001164483526 1026524147 /nfs/dbraw/zinc/52/41/47/1026524147.db2.gz BZIGYSOCPKYNDS-YQVWRLOYSA-N 2 2 376.504 3.634 20 0 GHADLP CC1(C)c2c[nH+]c(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc2NC1=O ZINC001164483526 1026524155 /nfs/dbraw/zinc/52/41/55/1026524155.db2.gz BZIGYSOCPKYNDS-YQVWRLOYSA-N 2 2 376.504 3.634 20 0 GHADLP c1nn(-c2ccccc2)nc1C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001461114636 1069397866 /nfs/dbraw/zinc/39/78/66/1069397866.db2.gz YOCFXYNPRPAEGN-UHFFFAOYSA-N 2 2 375.520 3.933 20 0 GHADLP Brc1cccc2c([C@H]3CN(c4ccc5c([nH+]4)CCC5)CCO3)[nH+]cn21 ZINC001165320403 1026702818 /nfs/dbraw/zinc/70/28/18/1026702818.db2.gz WIEGWVYBTZJTMW-MRXNPFEDSA-N 2 2 399.292 3.558 20 0 GHADLP Cc1[nH+]c2c(n1-c1cnc(Cl)nc1Oc1ccccc1Cl)CC[NH2+]CC2 ZINC001165355281 1026712261 /nfs/dbraw/zinc/71/22/61/1026712261.db2.gz DUESKAZFXDJIHA-UHFFFAOYSA-N 2 2 390.274 3.758 20 0 GHADLP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1[nH+]ccc3c(C)cccc31)C2 ZINC001165406826 1026719816 /nfs/dbraw/zinc/71/98/16/1026719816.db2.gz RNCWRJCEYZIWMK-GBXCKJPGSA-N 2 2 393.531 3.693 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001140025503 1026812951 /nfs/dbraw/zinc/81/29/51/1026812951.db2.gz BZOSUIBBGMDGEH-APWZRJJASA-N 2 2 384.524 3.916 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@](F)(CNC(=O)OC(C)(C)C)C1 ZINC001140027618 1026816801 /nfs/dbraw/zinc/81/68/01/1026816801.db2.gz SHXJPQBNRLLFCW-OAQYLSRUSA-N 2 2 388.487 3.619 20 0 GHADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@](F)(CNC(=O)OC(C)(C)C)C1 ZINC001140027618 1026816809 /nfs/dbraw/zinc/81/68/09/1026816809.db2.gz SHXJPQBNRLLFCW-OAQYLSRUSA-N 2 2 388.487 3.619 20 0 GHADLP COc1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)nc1 ZINC001140029033 1026818584 /nfs/dbraw/zinc/81/85/84/1026818584.db2.gz GXPLSRNLBCZOFP-FQEVSTJZSA-N 2 2 378.476 3.628 20 0 GHADLP COc1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)nc1 ZINC001140029033 1026818595 /nfs/dbraw/zinc/81/85/95/1026818595.db2.gz GXPLSRNLBCZOFP-FQEVSTJZSA-N 2 2 378.476 3.628 20 0 GHADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(C(F)(F)F)ccc3Br)C[C@@H]2C1 ZINC001140219104 1026996198 /nfs/dbraw/zinc/99/61/98/1026996198.db2.gz RGPNHVMYVYQTKP-YPMHNXCESA-N 2 2 377.248 3.851 20 0 GHADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(C(F)(F)F)ccc3Br)C[C@@H]2C1 ZINC001140219104 1026996202 /nfs/dbraw/zinc/99/62/02/1026996202.db2.gz RGPNHVMYVYQTKP-YPMHNXCESA-N 2 2 377.248 3.851 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3Br)C[C@@H]2C1 ZINC001140219104 1026996204 /nfs/dbraw/zinc/99/62/04/1026996204.db2.gz RGPNHVMYVYQTKP-YPMHNXCESA-N 2 2 377.248 3.851 20 0 GHADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3Br)C[C@@H]2C1 ZINC001140219104 1026996208 /nfs/dbraw/zinc/99/62/08/1026996208.db2.gz RGPNHVMYVYQTKP-YPMHNXCESA-N 2 2 377.248 3.851 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)[NH+]2CCCC2)o1 ZINC001209727477 1027123464 /nfs/dbraw/zinc/12/34/64/1027123464.db2.gz DUZIOTLZNFHOFW-LJQANCHMSA-N 2 2 397.523 3.932 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+]C2(c3ccccc3F)CC2)c2c1OC(F)(F)O2 ZINC001461226328 1069451014 /nfs/dbraw/zinc/45/10/14/1069451014.db2.gz ZBGNUAPARGBGTC-UHFFFAOYSA-N 2 2 378.394 3.988 20 0 GHADLP c1cc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)ccc1C[NH+]1CCCC1 ZINC001203827049 1027637649 /nfs/dbraw/zinc/63/76/49/1027637649.db2.gz UEJBVERJBDNUQU-UHFFFAOYSA-N 2 2 392.547 3.547 20 0 GHADLP COCC[N@H+](Cc1ccc(OCc2ccccc2)c(OC)c1)C1CC[NH+](C)CC1 ZINC001203853866 1027660338 /nfs/dbraw/zinc/66/03/38/1027660338.db2.gz XCSNDVUXSOQPJY-UHFFFAOYSA-N 2 2 398.547 3.817 20 0 GHADLP COCC[N@@H+](Cc1ccc(OCc2ccccc2)c(OC)c1)C1CC[NH+](C)CC1 ZINC001203853866 1027660349 /nfs/dbraw/zinc/66/03/49/1027660349.db2.gz XCSNDVUXSOQPJY-UHFFFAOYSA-N 2 2 398.547 3.817 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4nc[nH]c43)C[C@H]21 ZINC001142686888 1029269296 /nfs/dbraw/zinc/26/92/96/1029269296.db2.gz KFOQTOMKHZVQJE-NQSCKRDGSA-N 2 2 375.520 3.690 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4nc[nH]c43)C[C@H]21 ZINC001142686888 1029269308 /nfs/dbraw/zinc/26/93/08/1029269308.db2.gz KFOQTOMKHZVQJE-NQSCKRDGSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4nc[nH]c43)C[C@H]21 ZINC001142686888 1029269323 /nfs/dbraw/zinc/26/93/23/1029269323.db2.gz KFOQTOMKHZVQJE-NQSCKRDGSA-N 2 2 375.520 3.690 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4nc[nH]c43)C[C@H]21 ZINC001142686888 1029269337 /nfs/dbraw/zinc/26/93/37/1029269337.db2.gz KFOQTOMKHZVQJE-NQSCKRDGSA-N 2 2 375.520 3.690 20 0 GHADLP CC(C)(C)OC(=O)NCc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000842914303 1029679240 /nfs/dbraw/zinc/67/92/40/1029679240.db2.gz LWBPXYRXPLHEOS-UHFFFAOYSA-N 2 2 396.535 3.865 20 0 GHADLP CC(C)(C)OC(=O)NCc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000404630131 1029938313 /nfs/dbraw/zinc/93/83/13/1029938313.db2.gz FPPXHWNNIAPNOF-UHFFFAOYSA-N 2 2 377.504 3.567 20 0 GHADLP CC(C)(C)OC(=O)NCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000404656928 1029941471 /nfs/dbraw/zinc/94/14/71/1029941471.db2.gz PTUVUNKIVBYODN-ZWKOTPCHSA-N 2 2 377.504 3.567 20 0 GHADLP CC(C)(C)OC(=O)NCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000404656928 1029941473 /nfs/dbraw/zinc/94/14/73/1029941473.db2.gz PTUVUNKIVBYODN-ZWKOTPCHSA-N 2 2 377.504 3.567 20 0 GHADLP Clc1ncc(Br)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000843396503 1029967466 /nfs/dbraw/zinc/96/74/66/1029967466.db2.gz MYLBYWXHANLIEG-LRDDRELGSA-N 2 2 384.749 3.946 20 0 GHADLP Clc1ncc(Br)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000843396503 1029967470 /nfs/dbraw/zinc/96/74/70/1029967470.db2.gz MYLBYWXHANLIEG-LRDDRELGSA-N 2 2 384.749 3.946 20 0 GHADLP Clc1ncc(Br)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000843396503 1029967476 /nfs/dbraw/zinc/96/74/76/1029967476.db2.gz MYLBYWXHANLIEG-LRDDRELGSA-N 2 2 384.749 3.946 20 0 GHADLP Clc1ncc(Br)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000843396503 1029967481 /nfs/dbraw/zinc/96/74/81/1029967481.db2.gz MYLBYWXHANLIEG-LRDDRELGSA-N 2 2 384.749 3.946 20 0 GHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398006 1029968890 /nfs/dbraw/zinc/96/88/90/1029968890.db2.gz RIJAJHRXSNUWLV-FXAWDEMLSA-N 2 2 384.524 3.667 20 0 GHADLP FC(F)(F)c1ccc(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)c(C(F)(F)F)c1 ZINC001222181657 1029991333 /nfs/dbraw/zinc/99/13/33/1029991333.db2.gz SNXRWYMZYGESFD-UHFFFAOYSA-N 2 2 382.348 3.679 20 0 GHADLP FC(F)(F)c1ccc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)c(C(F)(F)F)c1 ZINC001222181657 1029991336 /nfs/dbraw/zinc/99/13/36/1029991336.db2.gz SNXRWYMZYGESFD-UHFFFAOYSA-N 2 2 382.348 3.679 20 0 GHADLP Brc1cc(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)cc2ccccc12 ZINC001222186662 1029993591 /nfs/dbraw/zinc/99/35/91/1029993591.db2.gz OHHHCENTVXDEKH-UHFFFAOYSA-N 2 2 375.310 3.557 20 0 GHADLP Brc1cc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)cc2ccccc12 ZINC001222186662 1029993595 /nfs/dbraw/zinc/99/35/95/1029993595.db2.gz OHHHCENTVXDEKH-UHFFFAOYSA-N 2 2 375.310 3.557 20 0 GHADLP Clc1cc(Cl)c(C[NH+]2CCC3(CC2)C[NH2+]CCO3)c(Br)c1 ZINC001222211551 1030008068 /nfs/dbraw/zinc/00/80/68/1030008068.db2.gz MGVBRPLMKAIRGB-UHFFFAOYSA-N 2 2 394.140 3.710 20 0 GHADLP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1cc(C)ccc1C(F)(F)F)CC[NH2+]CC2 ZINC001222226061 1030020314 /nfs/dbraw/zinc/02/03/14/1030020314.db2.gz MHYHFCZFLYKVJX-QGZVFWFLSA-N 2 2 384.442 3.521 20 0 GHADLP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1cc(C)ccc1C(F)(F)F)CC[NH2+]CC2 ZINC001222226061 1030020334 /nfs/dbraw/zinc/02/03/34/1030020334.db2.gz MHYHFCZFLYKVJX-QGZVFWFLSA-N 2 2 384.442 3.521 20 0 GHADLP CCOc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(Br)c1OC ZINC001461605688 1069636918 /nfs/dbraw/zinc/63/69/18/1069636918.db2.gz KVBAHOSFQVGXCZ-IRXDYDNUSA-N 2 2 397.357 3.963 20 0 GHADLP CCOc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc(Br)c1OC ZINC001461605688 1069636925 /nfs/dbraw/zinc/63/69/25/1069636925.db2.gz KVBAHOSFQVGXCZ-IRXDYDNUSA-N 2 2 397.357 3.963 20 0 GHADLP Cc1cccc(NCCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[nH+]1 ZINC001217381910 1030352386 /nfs/dbraw/zinc/35/23/86/1030352386.db2.gz FRHMHYQBKWXXQU-UHFFFAOYSA-N 2 2 390.491 3.823 20 0 GHADLP Nc1cc[nH+]c(-c2cc(NC(=O)C[C@@H]([NH3+])Cc3ccc4ccccc4c3)ccn2)c1 ZINC001218612421 1031005039 /nfs/dbraw/zinc/00/50/39/1031005039.db2.gz VQVSJBZTVSJWOV-FQEVSTJZSA-N 2 2 397.482 3.778 20 0 GHADLP CC(C)(C)[NH+]1CCN(C(=O)c2cccc3c2C[N@H+](Cc2ccccc2)C3)CC1 ZINC001151809777 1031007249 /nfs/dbraw/zinc/00/72/49/1031007249.db2.gz BIOAIRIOQNIOMV-UHFFFAOYSA-N 2 2 377.532 3.759 20 0 GHADLP CC(C)(C)[NH+]1CCN(C(=O)c2cccc3c2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC001151809777 1031007271 /nfs/dbraw/zinc/00/72/71/1031007271.db2.gz BIOAIRIOQNIOMV-UHFFFAOYSA-N 2 2 377.532 3.759 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CCC[C@H](C(F)(F)F)O3)CC2)cc1 ZINC001461733444 1069710223 /nfs/dbraw/zinc/71/02/23/1069710223.db2.gz CTNVGYMAIFFGLW-RTBURBONSA-N 2 2 385.474 3.811 20 0 GHADLP Cc1[nH+]ccn1Cc1ccc(Nc2cccc(CC[NH+]3CCOCC3)c2)cc1 ZINC001204379237 1031271118 /nfs/dbraw/zinc/27/11/18/1031271118.db2.gz HJUVWZAEJMJHAG-UHFFFAOYSA-N 2 2 376.504 3.858 20 0 GHADLP CC[C@@H]1CN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)CC[N@@H+]1Cc1ccccc1 ZINC001225640053 1031521822 /nfs/dbraw/zinc/52/18/22/1031521822.db2.gz NWJOSRURTFUBDM-HXUWFJFHSA-N 2 2 396.535 3.513 20 0 GHADLP CC[C@@H]1CN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)CC[N@H+]1Cc1ccccc1 ZINC001225640053 1031521844 /nfs/dbraw/zinc/52/18/44/1031521844.db2.gz NWJOSRURTFUBDM-HXUWFJFHSA-N 2 2 396.535 3.513 20 0 GHADLP CN(C(=O)c1coc2cc(O)ccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001153503188 1031620384 /nfs/dbraw/zinc/62/03/84/1031620384.db2.gz BQNYPQBCBFZEOC-RTWAWAEBSA-N 2 2 399.535 3.548 20 0 GHADLP CN(C(=O)c1coc2cc(O)ccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001153503188 1031620392 /nfs/dbraw/zinc/62/03/92/1031620392.db2.gz BQNYPQBCBFZEOC-RTWAWAEBSA-N 2 2 399.535 3.548 20 0 GHADLP C[C@@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001226466378 1031968727 /nfs/dbraw/zinc/96/87/27/1031968727.db2.gz RGNQBWRYTKCETF-GOSISDBHSA-N 2 2 391.519 3.537 20 0 GHADLP CC(C)[C@]1(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)CCC[NH2+]C1 ZINC001220531850 1031979581 /nfs/dbraw/zinc/97/95/81/1031979581.db2.gz ATBFATTWGVNYQU-HKUYNNGSSA-N 2 2 386.367 3.738 20 0 GHADLP CSc1sccc1C(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001277135192 1031994831 /nfs/dbraw/zinc/99/48/31/1031994831.db2.gz GGTUPSILNICZHU-MOPGFXCFSA-N 2 2 390.578 3.532 20 0 GHADLP COc1cc(C)c(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC001205788478 1033572427 /nfs/dbraw/zinc/57/24/27/1033572427.db2.gz NPDGHSSOOJPUOK-LJQANCHMSA-N 2 2 390.474 3.999 20 0 GHADLP COc1cc(C)c(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC001205788478 1033572440 /nfs/dbraw/zinc/57/24/40/1033572440.db2.gz NPDGHSSOOJPUOK-LJQANCHMSA-N 2 2 390.474 3.999 20 0 GHADLP COC(=O)c1cnc([C@H](C)[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC001206024240 1033691136 /nfs/dbraw/zinc/69/11/36/1033691136.db2.gz YQCWERSNRZZHSV-KRWDZBQOSA-N 2 2 399.560 3.979 20 0 GHADLP COC(=O)c1cnc([C@H](C)[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC001206024240 1033691142 /nfs/dbraw/zinc/69/11/42/1033691142.db2.gz YQCWERSNRZZHSV-KRWDZBQOSA-N 2 2 399.560 3.979 20 0 GHADLP Cc1ccc([C@@H](C(=O)N2CCc3ccccc3[C@H]2C)[NH+]2CCC([NH3+])CC2)cc1 ZINC001157702901 1033731821 /nfs/dbraw/zinc/73/18/21/1033731821.db2.gz GAARPXZSUZKWMB-JPYJTQIMSA-N 2 2 377.532 3.605 20 0 GHADLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC1 ZINC001206327297 1033797987 /nfs/dbraw/zinc/79/79/87/1033797987.db2.gz VBTCTWYXNCTDHE-GOSISDBHSA-N 3 2 377.330 3.586 20 0 GHADLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)CC1 ZINC001206327297 1033798001 /nfs/dbraw/zinc/79/80/01/1033798001.db2.gz VBTCTWYXNCTDHE-GOSISDBHSA-N 3 2 377.330 3.586 20 0 GHADLP Cc1cc(CNC(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)cc(C)[nH+]1 ZINC001230235503 1033957375 /nfs/dbraw/zinc/95/73/75/1033957375.db2.gz SWIALPFXNMVLOH-UHFFFAOYSA-N 2 2 388.515 3.877 20 0 GHADLP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1[nH+]cc3ccccn31)CC2 ZINC001207051075 1034072466 /nfs/dbraw/zinc/07/24/66/1034072466.db2.gz DMQLBQUHBLVNSG-IBGZPJMESA-N 2 2 396.560 3.651 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1[nH+]cc3ccccn31)CC2 ZINC001207051075 1034072475 /nfs/dbraw/zinc/07/24/75/1034072475.db2.gz DMQLBQUHBLVNSG-IBGZPJMESA-N 2 2 396.560 3.651 20 0 GHADLP C[NH+]1CCC([N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C2CCCC2)CC1 ZINC001207198126 1034168710 /nfs/dbraw/zinc/16/87/10/1034168710.db2.gz OTRSQWGDBBOMJL-UHFFFAOYSA-N 2 2 379.589 3.972 20 0 GHADLP C[NH+]1CCC([N@@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C2CCCC2)CC1 ZINC001207198126 1034168719 /nfs/dbraw/zinc/16/87/19/1034168719.db2.gz OTRSQWGDBBOMJL-UHFFFAOYSA-N 2 2 379.589 3.972 20 0 GHADLP FC(F)(F)c1cn2c(n1)C[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207290679 1034241550 /nfs/dbraw/zinc/24/15/50/1034241550.db2.gz DXDHGZURAJZUQG-UHFFFAOYSA-N 2 2 378.442 3.630 20 0 GHADLP FC(F)(F)c1cn2c(n1)C[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207290679 1034241561 /nfs/dbraw/zinc/24/15/61/1034241561.db2.gz DXDHGZURAJZUQG-UHFFFAOYSA-N 2 2 378.442 3.630 20 0 GHADLP C[C@H](CCCC(C)(C)O)CC[N@@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001207649328 1034511680 /nfs/dbraw/zinc/51/16/80/1034511680.db2.gz UAFFPOTZSVCAQM-LJQANCHMSA-N 2 2 376.589 3.652 20 0 GHADLP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001207649328 1034511695 /nfs/dbraw/zinc/51/16/95/1034511695.db2.gz UAFFPOTZSVCAQM-LJQANCHMSA-N 2 2 376.589 3.652 20 0 GHADLP C[C@@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001207824883 1034601793 /nfs/dbraw/zinc/60/17/93/1034601793.db2.gz FBRXOAGEIAPSBC-FGTMMUONSA-N 2 2 377.492 3.850 20 0 GHADLP C[C@@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001207824883 1034601802 /nfs/dbraw/zinc/60/18/02/1034601802.db2.gz FBRXOAGEIAPSBC-FGTMMUONSA-N 2 2 377.492 3.850 20 0 GHADLP COCc1cc[nH+]c(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC001159519512 1034634671 /nfs/dbraw/zinc/63/46/71/1034634671.db2.gz HIUCPXSYZCHLEH-HSZRJFAPSA-N 2 2 391.515 3.703 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1cccc(-c3ccccc3)c1)CC2 ZINC001231509623 1034656608 /nfs/dbraw/zinc/65/66/08/1034656608.db2.gz YKLIRCSMHLHHNJ-UHFFFAOYSA-N 2 2 377.532 3.530 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1cccc(-c3ccccc3)c1)CC2 ZINC001231509623 1034656615 /nfs/dbraw/zinc/65/66/15/1034656615.db2.gz YKLIRCSMHLHHNJ-UHFFFAOYSA-N 2 2 377.532 3.530 20 0 GHADLP CCc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)nc1 ZINC001231640948 1034797973 /nfs/dbraw/zinc/79/79/73/1034797973.db2.gz QCLUHAXAMMSQHT-VWNXMTODSA-N 2 2 383.580 3.605 20 0 GHADLP CCc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)nc1 ZINC001231640948 1034797987 /nfs/dbraw/zinc/79/79/87/1034797987.db2.gz QCLUHAXAMMSQHT-VWNXMTODSA-N 2 2 383.580 3.605 20 0 GHADLP CCc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)nc1 ZINC001231640948 1034797997 /nfs/dbraw/zinc/79/79/97/1034797997.db2.gz QCLUHAXAMMSQHT-VWNXMTODSA-N 2 2 383.580 3.605 20 0 GHADLP CCc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)nc1 ZINC001231640948 1034798009 /nfs/dbraw/zinc/79/80/09/1034798009.db2.gz QCLUHAXAMMSQHT-VWNXMTODSA-N 2 2 383.580 3.605 20 0 GHADLP C[C@H](CC[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1)CC(C)(C)C ZINC001208664713 1034974155 /nfs/dbraw/zinc/97/41/55/1034974155.db2.gz NSSPBCLXWFXQLG-OAQYLSRUSA-N 3 2 392.676 3.625 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ncccc1Cl)CC2 ZINC001231957594 1035006074 /nfs/dbraw/zinc/00/60/74/1035006074.db2.gz HTDAALJQBLVOCH-INIZCTEOSA-N 2 2 375.900 3.584 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ncccc1Cl)CC2 ZINC001231957594 1035006081 /nfs/dbraw/zinc/00/60/81/1035006081.db2.gz HTDAALJQBLVOCH-INIZCTEOSA-N 2 2 375.900 3.584 20 0 GHADLP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CCO[C@H]4[C@H](OCC5CCCC5)CC[C@@H]43)C2)cc1 ZINC001208940395 1035109792 /nfs/dbraw/zinc/10/97/92/1035109792.db2.gz CMFORMQSAHEIMG-ZFFYZDHPSA-N 2 2 398.591 3.947 20 0 GHADLP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CCO[C@H]4[C@H](OCC5CCCC5)CC[C@@H]43)C2)cc1 ZINC001208940395 1035109798 /nfs/dbraw/zinc/10/97/98/1035109798.db2.gz CMFORMQSAHEIMG-ZFFYZDHPSA-N 2 2 398.591 3.947 20 0 GHADLP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCO[C@H]4[C@H](OCC5CCCC5)CC[C@@H]43)C2)cc1 ZINC001208940395 1035109802 /nfs/dbraw/zinc/10/98/02/1035109802.db2.gz CMFORMQSAHEIMG-ZFFYZDHPSA-N 2 2 398.591 3.947 20 0 GHADLP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCO[C@H]4[C@H](OCC5CCCC5)CC[C@@H]43)C2)cc1 ZINC001208940395 1035109806 /nfs/dbraw/zinc/10/98/06/1035109806.db2.gz CMFORMQSAHEIMG-ZFFYZDHPSA-N 2 2 398.591 3.947 20 0 GHADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001209006046 1035146879 /nfs/dbraw/zinc/14/68/79/1035146879.db2.gz YDARYAHQMGQMEI-HXUWFJFHSA-N 2 2 391.531 3.731 20 0 GHADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001209006046 1035146883 /nfs/dbraw/zinc/14/68/83/1035146883.db2.gz YDARYAHQMGQMEI-HXUWFJFHSA-N 2 2 391.531 3.731 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2ccnc(C(C)(C)C)c2)CC3)n1 ZINC001232218120 1035168533 /nfs/dbraw/zinc/16/85/33/1035168533.db2.gz ZRQNKTABLRMSDL-UHFFFAOYSA-N 2 2 381.568 3.743 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2ccnc(C(C)(C)C)c2)CC3)n1 ZINC001232218120 1035168536 /nfs/dbraw/zinc/16/85/36/1035168536.db2.gz ZRQNKTABLRMSDL-UHFFFAOYSA-N 2 2 381.568 3.743 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](CCc1ccc(F)cc1Cl)CC2 ZINC001209109600 1035177728 /nfs/dbraw/zinc/17/77/28/1035177728.db2.gz HCQXVPFZMIXSFI-UHFFFAOYSA-N 2 2 378.923 3.919 20 0 GHADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](CCc1ccc(F)cc1Cl)CC2 ZINC001209109600 1035177731 /nfs/dbraw/zinc/17/77/31/1035177731.db2.gz HCQXVPFZMIXSFI-UHFFFAOYSA-N 2 2 378.923 3.919 20 0 GHADLP CC[N@H+](C)C1CC[NH+](C[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1 ZINC001209318559 1035240375 /nfs/dbraw/zinc/24/03/75/1035240375.db2.gz QWCBWTWIVVBPRC-NRFANRHFSA-N 2 2 387.568 3.765 20 0 GHADLP CC[N@@H+](C)C1CC[NH+](C[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1 ZINC001209318559 1035240378 /nfs/dbraw/zinc/24/03/78/1035240378.db2.gz QWCBWTWIVVBPRC-NRFANRHFSA-N 2 2 387.568 3.765 20 0 GHADLP C[NH+](C)CCN1C(=O)c2cccc3cc(Nc4cccc5[nH+]c[nH]c54)cc(c32)C1=O ZINC001213033362 1035245367 /nfs/dbraw/zinc/24/53/67/1035245367.db2.gz BRLSVAUDGSBZSJ-UHFFFAOYSA-N 2 2 399.454 3.617 20 0 GHADLP CC[N@H+](CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209340415 1035245875 /nfs/dbraw/zinc/24/58/75/1035245875.db2.gz OFZAASUPLVPTPO-UHFFFAOYSA-N 2 2 385.549 3.575 20 0 GHADLP CC[N@@H+](CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209340415 1035245877 /nfs/dbraw/zinc/24/58/77/1035245877.db2.gz OFZAASUPLVPTPO-UHFFFAOYSA-N 2 2 385.549 3.575 20 0 GHADLP CC[C@H](C[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001209458255 1035279293 /nfs/dbraw/zinc/27/92/93/1035279293.db2.gz CYAXRCYIKWVJAH-LJQANCHMSA-N 2 2 375.557 3.886 20 0 GHADLP CC[C@H](C[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001209458255 1035279295 /nfs/dbraw/zinc/27/92/95/1035279295.db2.gz CYAXRCYIKWVJAH-LJQANCHMSA-N 2 2 375.557 3.886 20 0 GHADLP CCOC(=O)c1ccc(-c2cc3c(nc[nH+]c3NCCCn3cc[nH+]c3)[nH]2)cc1 ZINC001161682299 1035284802 /nfs/dbraw/zinc/28/48/02/1035284802.db2.gz NGBNHAQPBWZMSB-UHFFFAOYSA-N 2 2 390.447 3.500 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC001462001902 1069938077 /nfs/dbraw/zinc/93/80/77/1069938077.db2.gz ZSQGWRJXZZCEFB-JOCHJYFZSA-N 2 2 388.556 3.677 20 0 GHADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(Cl)cc(Cl)cc1Cl)C2 ZINC001278331149 1035599726 /nfs/dbraw/zinc/59/97/26/1035599726.db2.gz FVOWNQLIRFEBTH-OCCSQVGLSA-N 2 2 376.759 3.715 20 0 GHADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(Cl)cc(Cl)cc1Cl)C2 ZINC001278331149 1035599737 /nfs/dbraw/zinc/59/97/37/1035599737.db2.gz FVOWNQLIRFEBTH-OCCSQVGLSA-N 2 2 376.759 3.715 20 0 GHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccco1 ZINC001248638457 1036019569 /nfs/dbraw/zinc/01/95/69/1036019569.db2.gz KBSLBXAJKCNGNT-SXLOBPIMSA-N 2 2 395.507 3.646 20 0 GHADLP C[N@@H+]1CCc2oc(-c3ccc(C4=CC[C@@H]([NH+]5CCOCC5)CC4)cc3)nc2C1 ZINC001245426161 1036919492 /nfs/dbraw/zinc/91/94/92/1036919492.db2.gz HYMUTAXBACOQAF-HXUWFJFHSA-N 2 2 379.504 3.598 20 0 GHADLP C[N@H+]1CCc2oc(-c3ccc(C4=CC[C@@H]([NH+]5CCOCC5)CC4)cc3)nc2C1 ZINC001245426161 1036919495 /nfs/dbraw/zinc/91/94/95/1036919495.db2.gz HYMUTAXBACOQAF-HXUWFJFHSA-N 2 2 379.504 3.598 20 0 GHADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001462148114 1070033856 /nfs/dbraw/zinc/03/38/56/1070033856.db2.gz MZIKWKSOJWIWJB-MSOLQXFVSA-N 2 2 386.527 3.989 20 0 GHADLP O[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001245981083 1037105044 /nfs/dbraw/zinc/10/50/44/1037105044.db2.gz FNFCBZOKVLAYQT-VQIMIIECSA-N 2 2 377.315 3.940 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3NC2=O)CC[NH2+]1 ZINC001246324774 1037295499 /nfs/dbraw/zinc/29/54/99/1037295499.db2.gz HFPBAJGOYSATBI-UXPWSPDFSA-N 2 2 387.886 3.734 20 0 GHADLP COc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[NH2+]C4(CCCCC4)C3)CC2)cc1 ZINC001246345070 1037305764 /nfs/dbraw/zinc/30/57/64/1037305764.db2.gz VWLYUPKNZKPSPQ-JOCHJYFZSA-N 3 2 385.596 3.747 20 0 GHADLP [NH3+]CCC[C@H]([NH2+][C@H]1CCc2cc(Cl)ccc2C1)C(=O)OCc1ccccc1 ZINC001246402281 1037360752 /nfs/dbraw/zinc/36/07/52/1037360752.db2.gz UWEXLECEAIOKFQ-SFTDATJTSA-N 2 2 386.923 3.638 20 0 GHADLP C[C@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)C(O)(c2ccccc2)c2ccccc2)C[NH2+]1 ZINC001246410439 1037366091 /nfs/dbraw/zinc/36/60/91/1037366091.db2.gz JPFKOWLERUCBRT-KSNOWIBYSA-N 2 2 386.539 3.874 20 0 GHADLP CC(C)[C@H]1C[C@H]([NH2+]C2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246436884 1037399232 /nfs/dbraw/zinc/39/92/32/1037399232.db2.gz MNWDHKNCOFRPRS-RTBURBONSA-N 3 2 383.502 3.736 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246452159 1037412436 /nfs/dbraw/zinc/41/24/36/1037412436.db2.gz CSLGYIWISFAVQF-FYYLOGMGSA-N 3 2 381.539 3.882 20 0 GHADLP c1ccc(C[NH+]2CCC([N@@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC001246673440 1037539228 /nfs/dbraw/zinc/53/92/28/1037539228.db2.gz OGOFBMZDAAJJJN-RSXGOPAZSA-N 3 2 389.587 3.904 20 0 GHADLP c1ccc(C[NH+]2CCC([N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC001246673440 1037539236 /nfs/dbraw/zinc/53/92/36/1037539236.db2.gz OGOFBMZDAAJJJN-RSXGOPAZSA-N 3 2 389.587 3.904 20 0 GHADLP CC[C@@H]1C[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246749422 1037587294 /nfs/dbraw/zinc/58/72/94/1037587294.db2.gz WLJLMHOVQKLGTJ-UBRQYEGLSA-N 3 2 399.623 3.971 20 0 GHADLP CC[C@@H]1C[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246749422 1037587305 /nfs/dbraw/zinc/58/73/05/1037587305.db2.gz WLJLMHOVQKLGTJ-UBRQYEGLSA-N 3 2 399.623 3.971 20 0 GHADLP CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+]([C@H]3CC[C@@H](C)[NH2+]C3)CC2)c2ccccc21 ZINC001246749888 1037587537 /nfs/dbraw/zinc/58/75/37/1037587537.db2.gz CCNJHOZKCNYPOQ-NJYVYQBISA-N 2 2 397.607 3.907 20 0 GHADLP CC[C@@H]1CC([N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)C[C@@H](CC)[NH2+]1 ZINC001246751223 1037590218 /nfs/dbraw/zinc/59/02/18/1037590218.db2.gz HUXPAKOJTIQZNX-CBGDNZLLSA-N 2 2 375.582 3.876 20 0 GHADLP CC[C@@H]1CC([N@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)C[C@@H](CC)[NH2+]1 ZINC001246751223 1037590226 /nfs/dbraw/zinc/59/02/26/1037590226.db2.gz HUXPAKOJTIQZNX-CBGDNZLLSA-N 2 2 375.582 3.876 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CC[NH+](Cc3cccc(F)c3)CC2)CC[NH2+]1 ZINC001246774699 1037615760 /nfs/dbraw/zinc/61/57/60/1037615760.db2.gz GGLRTQNFPGWDNX-GMAHTHKFSA-N 2 2 385.502 3.884 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH+]2CCC(C(=O)OC(C)(C)C)CC2)CC[NH2+]1 ZINC001246791664 1037630252 /nfs/dbraw/zinc/63/02/52/1037630252.db2.gz LPTQFASFLRLIRP-QUCCMNQESA-N 2 2 376.516 3.981 20 0 GHADLP CCOc1cccc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)n1 ZINC001246848829 1037673673 /nfs/dbraw/zinc/67/36/73/1037673673.db2.gz CMGIDDSZFOAUAV-PZJWPPBQSA-N 2 2 398.526 3.543 20 0 GHADLP CCOc1cccc(N2CC[NH+]([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)n1 ZINC001246848828 1037674135 /nfs/dbraw/zinc/67/41/35/1037674135.db2.gz CMGIDDSZFOAUAV-FPOVZHCZSA-N 2 2 398.526 3.543 20 0 GHADLP CC(C)(C)[C@H]1C[C@H]([NH+]2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246925057 1037731149 /nfs/dbraw/zinc/73/11/49/1037731149.db2.gz LHJSINMYSYMCMY-IEBWSBKVSA-N 2 2 399.501 3.870 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246936209 1037739801 /nfs/dbraw/zinc/73/98/01/1037739801.db2.gz MRLOMXVEOYRJIF-VGSWGCGISA-N 2 2 384.495 3.798 20 0 GHADLP COC(=O)c1ccc(C[C@@H](C)[N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246936209 1037739818 /nfs/dbraw/zinc/73/98/18/1037739818.db2.gz MRLOMXVEOYRJIF-VGSWGCGISA-N 2 2 384.495 3.798 20 0 GHADLP Fc1cc(F)c(C[N@H+](C2CC[NH2+]CC2)C2CCC3(CC[NH2+]CC3)CC2)c(F)c1 ZINC001246955175 1037765219 /nfs/dbraw/zinc/76/52/19/1037765219.db2.gz JNNDUSSCKAEQJG-UHFFFAOYSA-N 3 2 395.513 3.970 20 0 GHADLP Fc1cc(F)c(C[N@@H+](C2CC[NH2+]CC2)C2CCC3(CC[NH2+]CC3)CC2)c(F)c1 ZINC001246955175 1037765230 /nfs/dbraw/zinc/76/52/30/1037765230.db2.gz JNNDUSSCKAEQJG-UHFFFAOYSA-N 3 2 395.513 3.970 20 0 GHADLP COC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246958985 1037774759 /nfs/dbraw/zinc/77/47/59/1037774759.db2.gz UGWWOVAEWHZTQV-GDBMZVCRSA-N 2 2 398.469 3.780 20 0 GHADLP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246958985 1037774776 /nfs/dbraw/zinc/77/47/76/1037774776.db2.gz UGWWOVAEWHZTQV-GDBMZVCRSA-N 2 2 398.469 3.780 20 0 GHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)[nH+]c1 ZINC001246960402 1037781379 /nfs/dbraw/zinc/78/13/79/1037781379.db2.gz KYZPCTBLSXPONC-IFMALSPDSA-N 3 2 382.527 3.889 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@H]([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246965096 1037787863 /nfs/dbraw/zinc/78/78/63/1037787863.db2.gz MTANCKGTJCHLTF-RDJZCZTQSA-N 2 2 380.479 3.641 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246965096 1037787880 /nfs/dbraw/zinc/78/78/80/1037787880.db2.gz MTANCKGTJCHLTF-RDJZCZTQSA-N 2 2 380.479 3.641 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)nc1 ZINC001246973793 1037798466 /nfs/dbraw/zinc/79/84/66/1037798466.db2.gz OWADIDWUHSAVMW-SFHLNBCPSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1cnc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)nc1 ZINC001246973793 1037798476 /nfs/dbraw/zinc/79/84/76/1037798476.db2.gz OWADIDWUHSAVMW-SFHLNBCPSA-N 2 2 384.499 3.569 20 0 GHADLP COc1cc(N(C2CC[NH2+]CC2)[C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)cc[nH+]1 ZINC001246981561 1037806269 /nfs/dbraw/zinc/80/62/69/1037806269.db2.gz WXYVZWXKQAALNR-UGKGYDQZSA-N 3 2 398.526 3.589 20 0 GHADLP COC(=O)[C@]12CC[NH2+][C@@H]1C[N@@H+]([C@H](C)CC(c1ccccc1)c1ccccc1)CC2 ZINC001246985258 1037808849 /nfs/dbraw/zinc/80/88/49/1037808849.db2.gz HNGFVJSTTPOINW-NIDLKEISSA-N 2 2 392.543 3.824 20 0 GHADLP COC(=O)[C@]12CC[NH2+][C@@H]1C[N@H+]([C@H](C)CC(c1ccccc1)c1ccccc1)CC2 ZINC001246985258 1037808863 /nfs/dbraw/zinc/80/88/63/1037808863.db2.gz HNGFVJSTTPOINW-NIDLKEISSA-N 2 2 392.543 3.824 20 0 GHADLP C[NH+]1CCC([N@H+](C2CC[NH2+]CC2)[C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246993637 1037818041 /nfs/dbraw/zinc/81/80/41/1037818041.db2.gz LPWSXVLXTYCZEN-LJQANCHMSA-N 3 2 396.406 3.999 20 0 GHADLP C[NH+]1CCC([N@@H+](C2CC[NH2+]CC2)[C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246993637 1037818051 /nfs/dbraw/zinc/81/80/51/1037818051.db2.gz LPWSXVLXTYCZEN-LJQANCHMSA-N 3 2 396.406 3.999 20 0 GHADLP COc1cc(-c2nc3ccccc3n2CC2CC[NH2+]CC2)ccc1-n1cc[nH+]c1 ZINC001247023917 1037843822 /nfs/dbraw/zinc/84/38/22/1037843822.db2.gz KLSJCZFFRIABLL-UHFFFAOYSA-N 2 2 387.487 3.897 20 0 GHADLP Cc1ncsc1-c1ccc(-c2noc(-c3ccc([C@@H]([NH3+])C[NH3+])cc3)n2)cc1 ZINC001247697868 1038336738 /nfs/dbraw/zinc/33/67/38/1038336738.db2.gz HDXGNVIAPZYOBV-KRWDZBQOSA-N 2 2 377.473 3.794 20 0 GHADLP Cc1cccc(N2CCC[N@H+](Cc3cccc(NC(=O)OC(C)(C)C)n3)CC2)[nH+]1 ZINC001232605267 1038385760 /nfs/dbraw/zinc/38/57/60/1038385760.db2.gz VKJJGCMEAHFHES-UHFFFAOYSA-N 2 2 397.523 3.844 20 0 GHADLP Cc1cccc(N2CCC[N@@H+](Cc3cccc(NC(=O)OC(C)(C)C)n3)CC2)[nH+]1 ZINC001232605267 1038385774 /nfs/dbraw/zinc/38/57/74/1038385774.db2.gz VKJJGCMEAHFHES-UHFFFAOYSA-N 2 2 397.523 3.844 20 0 GHADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001232771263 1038545435 /nfs/dbraw/zinc/54/54/35/1038545435.db2.gz UDVNBSXYYZIRIM-UHFFFAOYSA-N 2 2 390.553 3.760 20 0 GHADLP COc1cc(O)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001232802571 1038565020 /nfs/dbraw/zinc/56/50/20/1038565020.db2.gz CGLVRFFAYYHTII-OFAXGOBFSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001232802571 1038565023 /nfs/dbraw/zinc/56/50/23/1038565023.db2.gz CGLVRFFAYYHTII-OFAXGOBFSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001232802571 1038565028 /nfs/dbraw/zinc/56/50/28/1038565028.db2.gz CGLVRFFAYYHTII-OFAXGOBFSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001232802571 1038565032 /nfs/dbraw/zinc/56/50/32/1038565032.db2.gz CGLVRFFAYYHTII-OFAXGOBFSA-N 2 2 381.520 3.528 20 0 GHADLP COc1cc(O)cc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c1 ZINC001232804118 1038565398 /nfs/dbraw/zinc/56/53/98/1038565398.db2.gz SXPMDMOYKFHMPG-UHFFFAOYSA-N 2 2 383.879 3.925 20 0 GHADLP Oc1cnc(Cl)cc1C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001233037334 1038794572 /nfs/dbraw/zinc/79/45/72/1038794572.db2.gz YRAZJBMQXBMNFO-UHFFFAOYSA-N 2 2 377.941 3.990 20 0 GHADLP Oc1cnc(Cl)cc1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001233037334 1038794592 /nfs/dbraw/zinc/79/45/92/1038794592.db2.gz YRAZJBMQXBMNFO-UHFFFAOYSA-N 2 2 377.941 3.990 20 0 GHADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC001233362343 1039189481 /nfs/dbraw/zinc/18/94/81/1039189481.db2.gz YAUKZSDPBAVGJW-UHFFFAOYSA-N 3 2 375.520 3.606 20 0 GHADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC001233362343 1039189492 /nfs/dbraw/zinc/18/94/92/1039189492.db2.gz YAUKZSDPBAVGJW-UHFFFAOYSA-N 3 2 375.520 3.606 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(F)c(F)cc3N)C[C@H]21 ZINC001233380630 1039205386 /nfs/dbraw/zinc/20/53/86/1039205386.db2.gz XUBSQPAQDLYWKT-QXATTWAWSA-N 2 2 386.490 3.675 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(F)c(F)cc3N)C[C@H]21 ZINC001233380630 1039205404 /nfs/dbraw/zinc/20/54/04/1039205404.db2.gz XUBSQPAQDLYWKT-QXATTWAWSA-N 2 2 386.490 3.675 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)c(F)cc3N)C[C@H]21 ZINC001233380630 1039205419 /nfs/dbraw/zinc/20/54/19/1039205419.db2.gz XUBSQPAQDLYWKT-QXATTWAWSA-N 2 2 386.490 3.675 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3N)C[C@H]21 ZINC001233380630 1039205436 /nfs/dbraw/zinc/20/54/36/1039205436.db2.gz XUBSQPAQDLYWKT-QXATTWAWSA-N 2 2 386.490 3.675 20 0 GHADLP Oc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001252949311 1039294273 /nfs/dbraw/zinc/29/42/73/1039294273.db2.gz JOORSBJCRXTGIR-RPBOFIJWSA-N 2 2 388.511 3.708 20 0 GHADLP Oc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001252949311 1039294286 /nfs/dbraw/zinc/29/42/86/1039294286.db2.gz JOORSBJCRXTGIR-RPBOFIJWSA-N 2 2 388.511 3.708 20 0 GHADLP CN1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC4(CCC4)Oc4ccccc43)c2)CC1 ZINC001253103392 1039426470 /nfs/dbraw/zinc/42/64/70/1039426470.db2.gz JHZNODKPTYAXQG-QHCPKHFHSA-N 2 2 391.559 3.970 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001254313187 1040166598 /nfs/dbraw/zinc/16/65/98/1040166598.db2.gz GRCYKHGDSFYHDN-ZWKOTPCHSA-N 2 2 375.513 3.633 20 0 GHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001254313187 1040166602 /nfs/dbraw/zinc/16/66/02/1040166602.db2.gz GRCYKHGDSFYHDN-ZWKOTPCHSA-N 2 2 375.513 3.633 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001254492383 1040276734 /nfs/dbraw/zinc/27/67/34/1040276734.db2.gz GRLRDHYUVOXKPW-SGNDLWITSA-N 2 2 380.580 3.975 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001254492383 1040276746 /nfs/dbraw/zinc/27/67/46/1040276746.db2.gz GRLRDHYUVOXKPW-SGNDLWITSA-N 2 2 380.580 3.975 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001254492383 1040276766 /nfs/dbraw/zinc/27/67/66/1040276766.db2.gz GRLRDHYUVOXKPW-SGNDLWITSA-N 2 2 380.580 3.975 20 0 GHADLP CCC[C@@H](CCc1ccccc1)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001254492383 1040276782 /nfs/dbraw/zinc/27/67/82/1040276782.db2.gz GRLRDHYUVOXKPW-SGNDLWITSA-N 2 2 380.580 3.975 20 0 GHADLP CCOC(OCC)c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001234875226 1040389932 /nfs/dbraw/zinc/38/99/32/1040389932.db2.gz MBBOBCDDRAFHBU-SZPZYZBQSA-N 2 2 395.547 3.717 20 0 GHADLP CCOC(OCC)c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001234875226 1040389946 /nfs/dbraw/zinc/38/99/46/1040389946.db2.gz MBBOBCDDRAFHBU-SZPZYZBQSA-N 2 2 395.547 3.717 20 0 GHADLP CCOC(OCC)c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001234875226 1040389960 /nfs/dbraw/zinc/38/99/60/1040389960.db2.gz MBBOBCDDRAFHBU-SZPZYZBQSA-N 2 2 395.547 3.717 20 0 GHADLP CCOC(OCC)c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001234875226 1040389976 /nfs/dbraw/zinc/38/99/76/1040389976.db2.gz MBBOBCDDRAFHBU-SZPZYZBQSA-N 2 2 395.547 3.717 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1c[nH]c3c1cccc3F)CC2 ZINC001235019835 1040509911 /nfs/dbraw/zinc/50/99/11/1040509911.db2.gz OZSYODQKJHWFIW-UHFFFAOYSA-N 2 2 379.479 3.953 20 0 GHADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1c[nH]c3c1cccc3F)CC2 ZINC001235019835 1040509928 /nfs/dbraw/zinc/50/99/28/1040509928.db2.gz OZSYODQKJHWFIW-UHFFFAOYSA-N 2 2 379.479 3.953 20 0 GHADLP Fc1ccc(Br)nc1C[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235094929 1040585116 /nfs/dbraw/zinc/58/51/16/1040585116.db2.gz RNHLGYQMOKRURQ-UHFFFAOYSA-N 2 2 390.300 3.620 20 0 GHADLP CC(C)(C)OC(=O)N1CCC(CC2CC2)([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254845650 1040591135 /nfs/dbraw/zinc/59/11/35/1040591135.db2.gz QOODYGFLRUBDOI-LJQANCHMSA-N 2 2 377.573 3.630 20 0 GHADLP FC(F)(F)c1ccc2c(c1)C1(CO2)CC[NH+]([C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254864724 1040608672 /nfs/dbraw/zinc/60/86/72/1040608672.db2.gz SUPGUWNARAUYIX-KRWDZBQOSA-N 2 2 380.454 3.916 20 0 GHADLP CC(C)(C)OC(=O)N1CCC2(C1)CCC([NH2+]Cc1ccc3[nH+]ccn3c1)CC2 ZINC001254876203 1040622552 /nfs/dbraw/zinc/62/25/52/1040622552.db2.gz YPVMXEZJRDFOMX-UHFFFAOYSA-N 2 2 384.524 3.994 20 0 GHADLP Cc1[nH+]c2c(n1C1CCC3(CCN(C(=O)OC(C)(C)C)C3)CC1)CC[NH2+]CC2 ZINC001254877332 1040625844 /nfs/dbraw/zinc/62/58/44/1040625844.db2.gz HUPUAYTZNSURJG-UHFFFAOYSA-N 2 2 388.556 3.622 20 0 GHADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC001254915355 1040665047 /nfs/dbraw/zinc/66/50/47/1040665047.db2.gz FFBLJSIJJPIDNX-RMFSNUHRSA-N 2 2 391.600 3.971 20 0 GHADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC001254915355 1040665051 /nfs/dbraw/zinc/66/50/51/1040665051.db2.gz FFBLJSIJJPIDNX-RMFSNUHRSA-N 2 2 391.600 3.971 20 0 GHADLP Clc1ccccc1-c1ccc(C[N@@H+]2CCCO[C@@]3(C[NH2+]CCOC3)C2)cc1 ZINC001235202765 1040689359 /nfs/dbraw/zinc/68/93/59/1040689359.db2.gz VDTLMTKKZPVDMG-QFIPXVFZSA-N 2 2 386.923 3.588 20 0 GHADLP Clc1ccccc1-c1ccc(C[N@H+]2CCCO[C@@]3(C[NH2+]CCOC3)C2)cc1 ZINC001235202765 1040689361 /nfs/dbraw/zinc/68/93/61/1040689361.db2.gz VDTLMTKKZPVDMG-QFIPXVFZSA-N 2 2 386.923 3.588 20 0 GHADLP COC(=O)c1cc(Br)ccc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235243174 1040724767 /nfs/dbraw/zinc/72/47/67/1040724767.db2.gz WINCMYLOSABXAV-SFHVURJKSA-N 2 2 395.341 3.590 20 0 GHADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001235249939 1040729593 /nfs/dbraw/zinc/72/95/93/1040729593.db2.gz BDHJNUAXWUXTPW-HXUWFJFHSA-N 2 2 386.584 3.715 20 0 GHADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001235249939 1040729613 /nfs/dbraw/zinc/72/96/13/1040729613.db2.gz BDHJNUAXWUXTPW-HXUWFJFHSA-N 2 2 386.584 3.715 20 0 GHADLP COc1ccc(C[NH+]2CCC(N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001255098662 1040781359 /nfs/dbraw/zinc/78/13/59/1040781359.db2.gz DQPWVIQJSLSRSI-QHCPKHFHSA-N 2 2 379.548 3.524 20 0 GHADLP COc1ccc(C[NH+]2CCC(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001255098662 1040781376 /nfs/dbraw/zinc/78/13/76/1040781376.db2.gz DQPWVIQJSLSRSI-QHCPKHFHSA-N 2 2 379.548 3.524 20 0 GHADLP FC(F)(F)Cn1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001255132122 1040828558 /nfs/dbraw/zinc/82/85/58/1040828558.db2.gz JJOIFZQEHVCFLJ-REPLKXPHSA-N 2 2 378.442 3.731 20 0 GHADLP FC(F)(F)Cn1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001255132122 1040828567 /nfs/dbraw/zinc/82/85/67/1040828567.db2.gz JJOIFZQEHVCFLJ-REPLKXPHSA-N 2 2 378.442 3.731 20 0 GHADLP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255133139 1040831269 /nfs/dbraw/zinc/83/12/69/1040831269.db2.gz ZNJPCXYWWSAEJV-DKUWSORSSA-N 2 2 386.628 3.657 20 0 GHADLP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255133139 1040831285 /nfs/dbraw/zinc/83/12/85/1040831285.db2.gz ZNJPCXYWWSAEJV-DKUWSORSSA-N 4 2 386.628 3.657 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235365267 1040855640 /nfs/dbraw/zinc/85/56/40/1040855640.db2.gz NKYKZIKBXOIHLN-ZCYQVOJMSA-N 3 2 386.543 3.934 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235365267 1040855653 /nfs/dbraw/zinc/85/56/53/1040855653.db2.gz NKYKZIKBXOIHLN-ZCYQVOJMSA-N 3 2 386.543 3.934 20 0 GHADLP Cc1c(Cl)c(Br)ccc1C[N@@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235401149 1040914609 /nfs/dbraw/zinc/91/46/09/1040914609.db2.gz GBVREQIGVQFMTI-CHWSQXEVSA-N 2 2 375.713 3.920 20 0 GHADLP Cc1c(Cl)c(Br)ccc1C[N@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235401149 1040914610 /nfs/dbraw/zinc/91/46/10/1040914610.db2.gz GBVREQIGVQFMTI-CHWSQXEVSA-N 2 2 375.713 3.920 20 0 GHADLP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccc(Br)c3cccnc13)C2 ZINC001235405111 1040916360 /nfs/dbraw/zinc/91/63/60/1040916360.db2.gz NTXIPLBAWSJCPG-FUHWJXTLSA-N 2 2 378.289 3.521 20 0 GHADLP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc(Br)c3cccnc13)C2 ZINC001235405111 1040916361 /nfs/dbraw/zinc/91/63/61/1040916361.db2.gz NTXIPLBAWSJCPG-FUHWJXTLSA-N 2 2 378.289 3.521 20 0 GHADLP COc1ccc(OCc2ccccc2)c(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235405736 1040917581 /nfs/dbraw/zinc/91/75/81/1040917581.db2.gz OOPWJERSICMCMH-GOTSBHOMSA-N 2 2 384.495 3.798 20 0 GHADLP COc1ccc(OCc2ccccc2)c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235405736 1040917589 /nfs/dbraw/zinc/91/75/89/1040917589.db2.gz OOPWJERSICMCMH-GOTSBHOMSA-N 2 2 384.495 3.798 20 0 GHADLP COc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235410106 1040919974 /nfs/dbraw/zinc/91/99/74/1040919974.db2.gz XSEKHIIBWSNKSA-DHIUTWEWSA-N 2 2 384.495 3.798 20 0 GHADLP COc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235410106 1040919978 /nfs/dbraw/zinc/91/99/78/1040919978.db2.gz XSEKHIIBWSNKSA-DHIUTWEWSA-N 2 2 384.495 3.798 20 0 GHADLP Fc1ccccc1CN1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255403330 1040991195 /nfs/dbraw/zinc/99/11/95/1040991195.db2.gz OTGFATFNTRLALQ-HSZRJFAPSA-N 2 2 381.539 3.998 20 0 GHADLP Fc1ccccc1CN1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255403330 1040991202 /nfs/dbraw/zinc/99/12/02/1040991202.db2.gz OTGFATFNTRLALQ-HSZRJFAPSA-N 2 2 381.539 3.998 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)C1 ZINC001255592881 1041152799 /nfs/dbraw/zinc/15/27/99/1041152799.db2.gz IWACIAZHNIMMCI-QGZVFWFLSA-N 2 2 379.932 3.599 20 0 GHADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2N2CC[NH2+]CC2)CC1 ZINC001235712185 1041194364 /nfs/dbraw/zinc/19/43/64/1041194364.db2.gz HFOIOEIXRAWNGT-UHFFFAOYSA-N 3 2 392.591 3.583 20 0 GHADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2N2CC[NH2+]CC2)CC1 ZINC001235712185 1041194386 /nfs/dbraw/zinc/19/43/86/1041194386.db2.gz HFOIOEIXRAWNGT-UHFFFAOYSA-N 3 2 392.591 3.583 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2CCC[C@H](C(F)(F)F)C2)CC3)n1 ZINC001255716539 1041242098 /nfs/dbraw/zinc/24/20/98/1041242098.db2.gz MVZAIIPXJHHULT-FUHWJXTLSA-N 2 2 384.490 3.972 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+]([C@@H]2CCC[C@H](C(F)(F)F)C2)CC3)n1 ZINC001255716539 1041242117 /nfs/dbraw/zinc/24/21/17/1041242117.db2.gz MVZAIIPXJHHULT-FUHWJXTLSA-N 2 2 384.490 3.972 20 0 GHADLP Cc1ccc(SC[C@@H](C)[NH+]2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)cc1 ZINC001255755614 1041273378 /nfs/dbraw/zinc/27/33/78/1041273378.db2.gz BUPCBMRCGBTSHE-LJQANCHMSA-N 2 2 397.588 3.585 20 0 GHADLP CC1([NH+]2CCN(Cc3cc(C(F)(F)F)ccc3Cl)CC2)CC[NH2+]CC1 ZINC001235815851 1041329648 /nfs/dbraw/zinc/32/96/48/1041329648.db2.gz QAMSBMPDFSBNNX-UHFFFAOYSA-N 2 2 375.866 3.619 20 0 GHADLP CC1([NH+]2CCN(Cc3ccc(OCc4ccc(F)cc4)cc3)CC2)CC[NH2+]CC1 ZINC001235816678 1041332445 /nfs/dbraw/zinc/33/24/45/1041332445.db2.gz WCEPVOMMUQNYKY-UHFFFAOYSA-N 2 2 397.538 3.664 20 0 GHADLP CC1([NH+]2CCN(Cc3csc(-c4cccc(Cl)c4)n3)CC2)CC[NH2+]CC1 ZINC001235821090 1041339194 /nfs/dbraw/zinc/33/91/94/1041339194.db2.gz AJANUNVITKQYML-UHFFFAOYSA-N 2 2 390.984 3.723 20 0 GHADLP COc1cc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)ccc1-n1cc[nH+]c1 ZINC001235977112 1041482266 /nfs/dbraw/zinc/48/22/66/1041482266.db2.gz JSUBCAUXVNAXNU-UHFFFAOYSA-N 3 2 388.515 3.518 20 0 GHADLP COc1cc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)ccc1-n1cc[nH+]c1 ZINC001235977112 1041482289 /nfs/dbraw/zinc/48/22/89/1041482289.db2.gz JSUBCAUXVNAXNU-UHFFFAOYSA-N 3 2 388.515 3.518 20 0 GHADLP CC[N@H+](Cc1ccc(Br)c2ccc(OC)nc12)[C@H]1CCC[NH2+]C1 ZINC001236009076 1041500466 /nfs/dbraw/zinc/50/04/66/1041500466.db2.gz KVQQVNIZWZGVNV-AWEZNQCLSA-N 2 2 378.314 3.580 20 0 GHADLP CC[N@@H+](Cc1ccc(Br)c2ccc(OC)nc12)[C@H]1CCC[NH2+]C1 ZINC001236009076 1041500478 /nfs/dbraw/zinc/50/04/78/1041500478.db2.gz KVQQVNIZWZGVNV-AWEZNQCLSA-N 2 2 378.314 3.580 20 0 GHADLP Oc1cccc(C[N@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)c1 ZINC001236377807 1041688657 /nfs/dbraw/zinc/68/86/57/1041688657.db2.gz MSZZZZZHGSSEAD-UHFFFAOYSA-N 2 2 375.310 3.909 20 0 GHADLP Oc1cccc(C[N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)c1 ZINC001236377807 1041688661 /nfs/dbraw/zinc/68/86/61/1041688661.db2.gz MSZZZZZHGSSEAD-UHFFFAOYSA-N 2 2 375.310 3.909 20 0 GHADLP COC(=O)c1cccc(C[N@H+](Cc2cc(F)c(C)c(F)c2)C2CC[NH2+]CC2)c1 ZINC001236465661 1041728498 /nfs/dbraw/zinc/72/84/98/1041728498.db2.gz AXEZEMGUTLWZOC-UHFFFAOYSA-N 2 2 388.458 3.814 20 0 GHADLP COC(=O)c1cccc(C[N@@H+](Cc2cc(F)c(C)c(F)c2)C2CC[NH2+]CC2)c1 ZINC001236465661 1041728503 /nfs/dbraw/zinc/72/85/03/1041728503.db2.gz AXEZEMGUTLWZOC-UHFFFAOYSA-N 2 2 388.458 3.814 20 0 GHADLP Fc1cc(F)c(C[N@H+](CC2CCC3(CC2)OCCO3)C2CC[NH2+]CC2)c(F)c1 ZINC001236495249 1041738929 /nfs/dbraw/zinc/73/89/29/1041738929.db2.gz PBMMLFTZWGQCSB-UHFFFAOYSA-N 2 2 398.469 3.591 20 0 GHADLP Fc1cc(F)c(C[N@@H+](CC2CCC3(CC2)OCCO3)C2CC[NH2+]CC2)c(F)c1 ZINC001236495249 1041738935 /nfs/dbraw/zinc/73/89/35/1041738935.db2.gz PBMMLFTZWGQCSB-UHFFFAOYSA-N 2 2 398.469 3.591 20 0 GHADLP Fc1ccc(C[N@H+](Cc2ccc3c(c2)OCCCO3)C2CC[NH2+]CC2)cc1F ZINC001236506223 1041745013 /nfs/dbraw/zinc/74/50/13/1041745013.db2.gz ZTKJOPCYHVRUAQ-UHFFFAOYSA-N 2 2 388.458 3.880 20 0 GHADLP Fc1ccc(C[N@@H+](Cc2ccc3c(c2)OCCCO3)C2CC[NH2+]CC2)cc1F ZINC001236506223 1041745019 /nfs/dbraw/zinc/74/50/19/1041745019.db2.gz ZTKJOPCYHVRUAQ-UHFFFAOYSA-N 2 2 388.458 3.880 20 0 GHADLP COc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)n1 ZINC001236919350 1041958947 /nfs/dbraw/zinc/95/89/47/1041958947.db2.gz NVWNZUPLQBDEIC-SFHVURJKSA-N 2 2 398.894 3.973 20 0 GHADLP COc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)n1 ZINC001236919350 1041958950 /nfs/dbraw/zinc/95/89/50/1041958950.db2.gz NVWNZUPLQBDEIC-SFHVURJKSA-N 2 2 398.894 3.973 20 0 GHADLP CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@@H]1C ZINC001236930285 1041962819 /nfs/dbraw/zinc/96/28/19/1041962819.db2.gz ZFIGPNVCXODDDY-HOTGVXAUSA-N 2 2 375.900 3.937 20 0 GHADLP CCOC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@@H]1C ZINC001236930285 1041962820 /nfs/dbraw/zinc/96/28/20/1041962820.db2.gz ZFIGPNVCXODDDY-HOTGVXAUSA-N 2 2 375.900 3.937 20 0 GHADLP CCOc1cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)ccc1OCCCOC ZINC001237156575 1042068385 /nfs/dbraw/zinc/06/83/85/1042068385.db2.gz OOOWOEQOJVSHBP-HXUWFJFHSA-N 2 2 376.541 3.607 20 0 GHADLP CCOc1cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)ccc1OCCCOC ZINC001237156575 1042068394 /nfs/dbraw/zinc/06/83/94/1042068394.db2.gz OOOWOEQOJVSHBP-HXUWFJFHSA-N 2 2 376.541 3.607 20 0 GHADLP Cc1c(I)cccc1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237161832 1042071705 /nfs/dbraw/zinc/07/17/05/1042071705.db2.gz RDTJXKFJNHMEPH-INIZCTEOSA-N 2 2 384.305 3.706 20 0 GHADLP Cc1c(I)cccc1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237161832 1042071711 /nfs/dbraw/zinc/07/17/11/1042071711.db2.gz RDTJXKFJNHMEPH-INIZCTEOSA-N 2 2 384.305 3.706 20 0 GHADLP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001462586024 1070391503 /nfs/dbraw/zinc/39/15/03/1070391503.db2.gz NWTXHZYWHICRJC-INIZCTEOSA-N 2 2 396.482 3.603 20 0 GHADLP Cc1c(Br)cc(C[N@@H+](C)CCC[NH+](C)C)cc1Br ZINC001237335208 1042153278 /nfs/dbraw/zinc/15/32/78/1042153278.db2.gz WGNCELKZPWFBTR-UHFFFAOYSA-N 2 2 378.152 3.904 20 0 GHADLP Cc1c(Br)cc(C[N@H+](C)CCC[NH+](C)C)cc1Br ZINC001237335208 1042153281 /nfs/dbraw/zinc/15/32/81/1042153281.db2.gz WGNCELKZPWFBTR-UHFFFAOYSA-N 2 2 378.152 3.904 20 0 GHADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(C(=O)NCc4ccccc4)cc3)cc2)C1 ZINC001239910023 1042861144 /nfs/dbraw/zinc/86/11/44/1042861144.db2.gz IMKGCAABZVERHY-DEOSSOPVSA-N 2 2 385.511 3.817 20 0 GHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(=O)NCc4ccccc4)cc3)cc2)C1 ZINC001239910023 1042861152 /nfs/dbraw/zinc/86/11/52/1042861152.db2.gz IMKGCAABZVERHY-DEOSSOPVSA-N 2 2 385.511 3.817 20 0 GHADLP CC1CCN(C(=O)c2ccc(-c3ccc(C[N@@H+]4CC[C@H]([NH3+])C4)cc3)cc2)CC1 ZINC001240043697 1042875505 /nfs/dbraw/zinc/87/55/05/1042875505.db2.gz OCSIFMKVOVKIOJ-QHCPKHFHSA-N 2 2 377.532 3.759 20 0 GHADLP CC1CCN(C(=O)c2ccc(-c3ccc(C[N@H+]4CC[C@H]([NH3+])C4)cc3)cc2)CC1 ZINC001240043697 1042875508 /nfs/dbraw/zinc/87/55/08/1042875508.db2.gz OCSIFMKVOVKIOJ-QHCPKHFHSA-N 2 2 377.532 3.759 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3NC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001256527903 1043455747 /nfs/dbraw/zinc/45/57/47/1043455747.db2.gz BDWGTHXWSGOBDD-MFMILTCTSA-N 2 2 383.923 3.846 20 0 GHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3NC2=O)CC[N@H+]1Cc1ccccc1 ZINC001256527903 1043455760 /nfs/dbraw/zinc/45/57/60/1043455760.db2.gz BDWGTHXWSGOBDD-MFMILTCTSA-N 2 2 383.923 3.846 20 0 GHADLP COc1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)cc1 ZINC001256534395 1043470117 /nfs/dbraw/zinc/47/01/17/1043470117.db2.gz QSBHATVWAPRRHB-QDSKXPNFSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)cc1 ZINC001256534395 1043470127 /nfs/dbraw/zinc/47/01/27/1043470127.db2.gz QSBHATVWAPRRHB-QDSKXPNFSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)cc1 ZINC001256534395 1043470130 /nfs/dbraw/zinc/47/01/30/1043470130.db2.gz QSBHATVWAPRRHB-QDSKXPNFSA-N 2 2 393.575 3.912 20 0 GHADLP COc1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)cc1 ZINC001256534395 1043470135 /nfs/dbraw/zinc/47/01/35/1043470135.db2.gz QSBHATVWAPRRHB-QDSKXPNFSA-N 2 2 393.575 3.912 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256543209 1043498915 /nfs/dbraw/zinc/49/89/15/1043498915.db2.gz RZXSAYATGGWPKL-TZIWHRDSSA-N 2 2 399.579 3.982 20 0 GHADLP C[C@@H]1C[C@H]([NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001256543209 1043498928 /nfs/dbraw/zinc/49/89/28/1043498928.db2.gz RZXSAYATGGWPKL-TZIWHRDSSA-N 2 2 399.579 3.982 20 0 GHADLP C[C@@H]1C[C@H](N2CC[NH+](Cc3ccccc3F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256550414 1043513248 /nfs/dbraw/zinc/51/32/48/1043513248.db2.gz MHYDYVMWSPJFBN-NFBKMPQASA-N 2 2 381.539 3.996 20 0 GHADLP C[C@@H]1C[C@H](N2CC[NH+](Cc3ccccc3F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256550414 1043513260 /nfs/dbraw/zinc/51/32/60/1043513260.db2.gz MHYDYVMWSPJFBN-NFBKMPQASA-N 2 2 381.539 3.996 20 0 GHADLP C[C@H]1C[C@@H](N2CC[NH+](Cc3ccccc3F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256550417 1043513703 /nfs/dbraw/zinc/51/37/03/1043513703.db2.gz MHYDYVMWSPJFBN-REWPJTCUSA-N 2 2 381.539 3.996 20 0 GHADLP C[C@H]1C[C@@H](N2CC[NH+](Cc3ccccc3F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256550417 1043513715 /nfs/dbraw/zinc/51/37/15/1043513715.db2.gz MHYDYVMWSPJFBN-REWPJTCUSA-N 2 2 381.539 3.996 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555692 1043525368 /nfs/dbraw/zinc/52/53/68/1043525368.db2.gz VPEXPSAKWFJJPN-SESVDKBCSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256555692 1043525374 /nfs/dbraw/zinc/52/53/74/1043525374.db2.gz VPEXPSAKWFJJPN-SESVDKBCSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256555692 1043525385 /nfs/dbraw/zinc/52/53/85/1043525385.db2.gz VPEXPSAKWFJJPN-SESVDKBCSA-N 2 2 387.568 3.981 20 0 GHADLP C[C@H]1C[C@@H]([N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256555692 1043525391 /nfs/dbraw/zinc/52/53/91/1043525391.db2.gz VPEXPSAKWFJJPN-SESVDKBCSA-N 2 2 387.568 3.981 20 0 GHADLP COc1ccnc(O[C@@H]2CC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001256558408 1043529832 /nfs/dbraw/zinc/52/98/32/1043529832.db2.gz RSMDTEOFPLPUQO-RCZSKKKRSA-N 2 2 381.520 3.596 20 0 GHADLP COc1ccnc(O[C@@H]2CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001256558408 1043529840 /nfs/dbraw/zinc/52/98/40/1043529840.db2.gz RSMDTEOFPLPUQO-RCZSKKKRSA-N 2 2 381.520 3.596 20 0 GHADLP COc1ccnc(O[C@@H]2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001256558408 1043529846 /nfs/dbraw/zinc/52/98/46/1043529846.db2.gz RSMDTEOFPLPUQO-RCZSKKKRSA-N 2 2 381.520 3.596 20 0 GHADLP COc1ccnc(O[C@@H]2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001256558408 1043529852 /nfs/dbraw/zinc/52/98/52/1043529852.db2.gz RSMDTEOFPLPUQO-RCZSKKKRSA-N 2 2 381.520 3.596 20 0 GHADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1 ZINC001256577298 1043549054 /nfs/dbraw/zinc/54/90/54/1043549054.db2.gz IBSTVWOYJGFFLX-OAHLLOKOSA-N 2 2 386.462 3.602 20 0 GHADLP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1 ZINC001256577298 1043549069 /nfs/dbraw/zinc/54/90/69/1043549069.db2.gz IBSTVWOYJGFFLX-OAHLLOKOSA-N 2 2 386.462 3.602 20 0 GHADLP c1cc(C[N@@H+]2CCC3(C2)CC[NH+](C2CC[NH+](Cc4ccncc4)CC2)CC3)co1 ZINC001256591540 1043557528 /nfs/dbraw/zinc/55/75/28/1043557528.db2.gz JJFDLXYLCFSQDS-UHFFFAOYSA-N 3 2 394.563 3.627 20 0 GHADLP c1cc(C[N@H+]2CCC3(C2)CC[NH+](C2CC[NH+](Cc4ccncc4)CC2)CC3)co1 ZINC001256591540 1043557540 /nfs/dbraw/zinc/55/75/40/1043557540.db2.gz JJFDLXYLCFSQDS-UHFFFAOYSA-N 3 2 394.563 3.627 20 0 GHADLP c1ccc(CN2CC[C@H]3C[N@@H+](C4CC[NH+](Cc5ccccc5)CC4)C[C@@H]32)cc1 ZINC001256611918 1043576006 /nfs/dbraw/zinc/57/60/06/1043576006.db2.gz ZTFFHHFILCONDD-ZCYQVOJMSA-N 2 2 375.560 3.857 20 0 GHADLP c1ccc(CN2CC[C@H]3C[N@H+](C4CC[NH+](Cc5ccccc5)CC4)C[C@@H]32)cc1 ZINC001256611918 1043576013 /nfs/dbraw/zinc/57/60/13/1043576013.db2.gz ZTFFHHFILCONDD-ZCYQVOJMSA-N 2 2 375.560 3.857 20 0 GHADLP COC(=O)CC1CCC([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)CC1 ZINC001256979869 1043781646 /nfs/dbraw/zinc/78/16/46/1043781646.db2.gz XTAHGFOHHRWPRN-UHFFFAOYSA-N 2 2 376.516 3.810 20 0 GHADLP O=C(c1c[nH+]ccc1Nc1ccccc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001292850078 1043913350 /nfs/dbraw/zinc/91/33/50/1043913350.db2.gz DCKARMRAPCRXES-HXUWFJFHSA-N 2 2 392.547 3.975 20 0 GHADLP CC1CC[NH+](CC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC001292895909 1043934624 /nfs/dbraw/zinc/93/46/24/1043934624.db2.gz CYBBMTCFYPBYAQ-FQEVSTJZSA-N 2 2 377.960 3.543 20 0 GHADLP CC1CC[NH+](CC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC001292895909 1043934636 /nfs/dbraw/zinc/93/46/36/1043934636.db2.gz CYBBMTCFYPBYAQ-FQEVSTJZSA-N 2 2 377.960 3.543 20 0 GHADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(F)c(OCC3CCOCC3)c(F)c2)CC1 ZINC001257211065 1043937949 /nfs/dbraw/zinc/93/79/49/1043937949.db2.gz ALTJCJKPWSPBDY-UHFFFAOYSA-N 2 2 382.495 3.733 20 0 GHADLP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3csc(C(C)C)n3)CC2)C1 ZINC001279024981 1044061459 /nfs/dbraw/zinc/06/14/59/1044061459.db2.gz DFKXDFKWZRVKMR-UHFFFAOYSA-N 2 2 381.586 3.565 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1COc2ccc(Cl)cc2C1 ZINC001257960036 1044277901 /nfs/dbraw/zinc/27/79/01/1044277901.db2.gz PUPGCJWOQDFMAZ-TUNNFDKTSA-N 2 2 386.923 3.523 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1COc2ccc(Cl)cc2C1 ZINC001257960036 1044277907 /nfs/dbraw/zinc/27/79/07/1044277907.db2.gz PUPGCJWOQDFMAZ-TUNNFDKTSA-N 2 2 386.923 3.523 20 0 GHADLP CC(C)C[NH+]1CCC(N2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)CC1 ZINC001258019725 1044346459 /nfs/dbraw/zinc/34/64/59/1044346459.db2.gz GDXRKIVJDNTUQA-FQEVSTJZSA-N 2 2 383.502 3.856 20 0 GHADLP CC(C)C[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)CC1 ZINC001258019725 1044346474 /nfs/dbraw/zinc/34/64/74/1044346474.db2.gz GDXRKIVJDNTUQA-FQEVSTJZSA-N 2 2 383.502 3.856 20 0 GHADLP CCOC(=O)CC1CCC([NH2+]C2CC[NH+](Cc3cccc(OC)c3)CC2)CC1 ZINC001258027546 1044352849 /nfs/dbraw/zinc/35/28/49/1044352849.db2.gz YTLIEBXZCZRRIM-UHFFFAOYSA-N 2 2 388.552 3.761 20 0 GHADLP CCOC(=O)CC1CCC([N@@H+]2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001258033118 1044360191 /nfs/dbraw/zinc/36/01/91/1044360191.db2.gz SFFATQDOVCHHEZ-JWHDQAAXSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)CC1CCC([N@H+]2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001258033118 1044360210 /nfs/dbraw/zinc/36/02/10/1044360210.db2.gz SFFATQDOVCHHEZ-JWHDQAAXSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)CC1CCC([NH+]2CC[C@@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)CC1 ZINC001258033118 1044360223 /nfs/dbraw/zinc/36/02/23/1044360223.db2.gz SFFATQDOVCHHEZ-JWHDQAAXSA-N 2 2 391.581 3.551 20 0 GHADLP CCOC(=O)CC1CCC([NH+]2CC[C@@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001258033118 1044360232 /nfs/dbraw/zinc/36/02/32/1044360232.db2.gz SFFATQDOVCHHEZ-JWHDQAAXSA-N 2 2 391.581 3.551 20 0 GHADLP COC(=O)N1CCC2(CC1)CC[NH+](C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001258140728 1044426022 /nfs/dbraw/zinc/42/60/22/1044426022.db2.gz FDTIKYNFAJLOFU-UHFFFAOYSA-N 2 2 399.579 3.638 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@H+](C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001258146061 1044433337 /nfs/dbraw/zinc/43/33/37/1044433337.db2.gz QUPWBPKGRIWLLE-UHFFFAOYSA-N 2 2 378.516 3.538 20 0 GHADLP COC(=O)c1ccc2c(c1)C[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001258146061 1044433345 /nfs/dbraw/zinc/43/33/45/1044433345.db2.gz QUPWBPKGRIWLLE-UHFFFAOYSA-N 2 2 378.516 3.538 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc(C)c3C(F)(F)F)CC2)CC1 ZINC001299525141 1044729022 /nfs/dbraw/zinc/72/90/22/1044729022.db2.gz ZUKKOHWFJLCUAK-UHFFFAOYSA-N 2 2 397.485 3.646 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc(C)c3C(F)(F)F)CC2)CC1 ZINC001299525141 1044729034 /nfs/dbraw/zinc/72/90/34/1044729034.db2.gz ZUKKOHWFJLCUAK-UHFFFAOYSA-N 2 2 397.485 3.646 20 0 GHADLP CCCC[C@@H](Cc1ccccc1)[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001258712469 1044731401 /nfs/dbraw/zinc/73/14/01/1044731401.db2.gz UUHAKQTZOQLSCM-QFIPXVFZSA-N 2 2 395.595 3.924 20 0 GHADLP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001258712469 1044731407 /nfs/dbraw/zinc/73/14/07/1044731407.db2.gz UUHAKQTZOQLSCM-QFIPXVFZSA-N 2 2 395.595 3.924 20 0 GHADLP COc1cc(C[C@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc(OC)c1OC ZINC001258864437 1044805040 /nfs/dbraw/zinc/80/50/40/1044805040.db2.gz TWPFCXQJKKSIQG-WDSOQIARSA-N 2 2 399.535 3.815 20 0 GHADLP COc1cc(C[C@H](C)[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc(OC)c1OC ZINC001258874248 1044820632 /nfs/dbraw/zinc/82/06/32/1044820632.db2.gz KQAATQTYUHLDHV-INIZCTEOSA-N 2 2 394.531 3.542 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC001294917721 1044840686 /nfs/dbraw/zinc/84/06/86/1044840686.db2.gz BWYLBWKQZJDQNB-FGZHOGPDSA-N 2 2 382.552 3.526 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC001294917721 1044840708 /nfs/dbraw/zinc/84/07/08/1044840708.db2.gz BWYLBWKQZJDQNB-FGZHOGPDSA-N 2 2 382.552 3.526 20 0 GHADLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)OC(C)(C)C ZINC001258900569 1044856567 /nfs/dbraw/zinc/85/65/67/1044856567.db2.gz OYKFYJJMEDCGSE-XLIONFOSSA-N 2 2 378.557 3.745 20 0 GHADLP COC(=O)/C=C\c1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)o1 ZINC000848912041 1045183871 /nfs/dbraw/zinc/18/38/71/1045183871.db2.gz MZGYFGJVHIPCJG-SZIHUUSQSA-N 2 2 377.444 3.681 20 0 GHADLP Cc1[nH+]ccn1CCCCNC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001263085752 1046553876 /nfs/dbraw/zinc/55/38/76/1046553876.db2.gz KGPKAHTUCZEEHD-GOSISDBHSA-N 2 2 386.544 3.512 20 0 GHADLP C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(-n3cc[nH+]c3)c(Br)c1)C2 ZINC001279331868 1047770190 /nfs/dbraw/zinc/77/01/90/1047770190.db2.gz YGBDWGHHCQEOIG-IBGZPJMESA-N 2 2 389.341 3.553 20 0 GHADLP C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(-n3cc[nH+]c3)c(Br)c1)C2 ZINC001279331868 1047770193 /nfs/dbraw/zinc/77/01/93/1047770193.db2.gz YGBDWGHHCQEOIG-IBGZPJMESA-N 2 2 389.341 3.553 20 0 GHADLP Cc1cc(Cl)nc(Cl)c1C[N@H+]1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279636038 1047881105 /nfs/dbraw/zinc/88/11/05/1047881105.db2.gz AYYGRMDENWEVJX-HXUWFJFHSA-N 2 2 399.410 3.936 20 0 GHADLP Cc1cc(Cl)nc(Cl)c1C[N@@H+]1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279636038 1047881114 /nfs/dbraw/zinc/88/11/14/1047881114.db2.gz AYYGRMDENWEVJX-HXUWFJFHSA-N 2 2 399.410 3.936 20 0 GHADLP Cc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4ncc(Cl)s4)(C2)CCC3)n(C)n1 ZINC001279649536 1047893111 /nfs/dbraw/zinc/89/31/11/1047893111.db2.gz LWYKVOYGNYCASF-ZWKOTPCHSA-N 2 2 379.961 3.563 20 0 GHADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC001307875503 1049658078 /nfs/dbraw/zinc/65/80/78/1049658078.db2.gz NNMOQZUIFNBIGR-KRWDZBQOSA-N 2 2 386.927 3.891 20 0 GHADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC001307875503 1049658082 /nfs/dbraw/zinc/65/80/82/1049658082.db2.gz NNMOQZUIFNBIGR-KRWDZBQOSA-N 2 2 386.927 3.891 20 0 GHADLP C[C@@H]1C[C@@H](C)C[NH+](CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)C1 ZINC001307904539 1049683271 /nfs/dbraw/zinc/68/32/71/1049683271.db2.gz LTIWCESBRSGFIN-QRVBRYPASA-N 2 2 379.589 3.876 20 0 GHADLP COC[C@H](C)[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC001307977543 1049735131 /nfs/dbraw/zinc/73/51/31/1049735131.db2.gz ZEFJEZUUAUBJCR-KWOQKUFVSA-N 2 2 382.548 3.504 20 0 GHADLP COC[C@H](C)[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC001307977543 1049735133 /nfs/dbraw/zinc/73/51/33/1049735133.db2.gz ZEFJEZUUAUBJCR-KWOQKUFVSA-N 2 2 382.548 3.504 20 0 GHADLP COC[C@H](C)[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC001307977543 1049735135 /nfs/dbraw/zinc/73/51/35/1049735135.db2.gz ZEFJEZUUAUBJCR-KWOQKUFVSA-N 2 2 382.548 3.504 20 0 GHADLP COC[C@H](C)[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC001307977543 1049735139 /nfs/dbraw/zinc/73/51/39/1049735139.db2.gz ZEFJEZUUAUBJCR-KWOQKUFVSA-N 2 2 382.548 3.504 20 0 GHADLP CC(C)C[C@H](C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)n1cc[nH+]c1 ZINC001290253325 1049779888 /nfs/dbraw/zinc/77/98/88/1049779888.db2.gz VJAKGCOGEJCKJN-HSZRJFAPSA-N 2 2 390.531 3.968 20 0 GHADLP C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001308142789 1049881066 /nfs/dbraw/zinc/88/10/66/1049881066.db2.gz SMCBMNHRGCLKAI-UHFFFAOYSA-N 2 2 376.504 3.541 20 0 GHADLP C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001308142789 1049881077 /nfs/dbraw/zinc/88/10/77/1049881077.db2.gz SMCBMNHRGCLKAI-UHFFFAOYSA-N 2 2 376.504 3.541 20 0 GHADLP OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001308147312 1049885461 /nfs/dbraw/zinc/88/54/61/1049885461.db2.gz ZYWQDCQXPUNQAH-RCZVLFRGSA-N 2 2 394.559 3.663 20 0 GHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2nc(Br)c[nH]2)C1 ZINC001308204453 1049911671 /nfs/dbraw/zinc/91/16/71/1049911671.db2.gz QSKKQXKKMHFXJM-GJZGRUSLSA-N 2 2 391.357 3.940 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)CC(F)(F)F ZINC001308564225 1050011098 /nfs/dbraw/zinc/01/10/98/1050011098.db2.gz ITBWOJMKIGUQGO-HZPDHXFCSA-N 2 2 393.494 3.640 20 0 GHADLP CC(C)(C)OC(=O)N[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)CC(F)(F)F ZINC001308564225 1050011104 /nfs/dbraw/zinc/01/11/04/1050011104.db2.gz ITBWOJMKIGUQGO-HZPDHXFCSA-N 2 2 393.494 3.640 20 0 GHADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H](CC(N)=O)c3cccc(Cl)c3)CC2)C1 ZINC001308673930 1050055134 /nfs/dbraw/zinc/05/51/34/1050055134.db2.gz FYXOCDLPZDEUNN-RYGJVYDSSA-N 2 2 377.960 3.889 20 0 GHADLP CCOC(=O)[C@]12CCC[C@@H]1C[C@@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C2 ZINC001308710973 1050067737 /nfs/dbraw/zinc/06/77/37/1050067737.db2.gz ZEAPWTQMELDOII-AZKZNFPZSA-N 2 2 384.564 3.999 20 0 GHADLP CCOC(=O)[C@]12CCC[C@@H]1C[C@@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C2 ZINC001308710973 1050067744 /nfs/dbraw/zinc/06/77/44/1050067744.db2.gz ZEAPWTQMELDOII-AZKZNFPZSA-N 2 2 384.564 3.999 20 0 GHADLP CC(C)(C)[NH+]1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC001327633991 1050238887 /nfs/dbraw/zinc/23/88/87/1050238887.db2.gz HTNKPCGSHQEMJQ-UHFFFAOYSA-N 2 2 381.524 3.834 20 0 GHADLP COC(=O)[C@@H](C)Oc1ccccc1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001308983179 1050245721 /nfs/dbraw/zinc/24/57/21/1050245721.db2.gz MCVKJJKMRNQNEA-QZTJIDSGSA-N 2 2 399.535 3.958 20 0 GHADLP COC(=O)[C@@H](C)Oc1ccccc1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001308983179 1050245732 /nfs/dbraw/zinc/24/57/32/1050245732.db2.gz MCVKJJKMRNQNEA-QZTJIDSGSA-N 2 2 399.535 3.958 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC001328356323 1050479074 /nfs/dbraw/zinc/47/90/74/1050479074.db2.gz TXWRUKOVLOJBHT-UHFFFAOYSA-N 2 2 375.457 3.880 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC001328598332 1050556324 /nfs/dbraw/zinc/55/63/24/1050556324.db2.gz OIKGHEQWAMGFRF-GOSISDBHSA-N 2 2 376.504 3.857 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC001328598332 1050556339 /nfs/dbraw/zinc/55/63/39/1050556339.db2.gz OIKGHEQWAMGFRF-GOSISDBHSA-N 2 2 376.504 3.857 20 0 GHADLP CN(C(=O)NCCC1CCCCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001311446295 1052157014 /nfs/dbraw/zinc/15/70/14/1052157014.db2.gz CUEDBUAAGYAORV-VXKWHMMOSA-N 2 2 392.632 3.935 20 0 GHADLP CN(C(=O)NCCC1CCCCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001311446295 1052157018 /nfs/dbraw/zinc/15/70/18/1052157018.db2.gz CUEDBUAAGYAORV-VXKWHMMOSA-N 2 2 392.632 3.935 20 0 GHADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001312053835 1052549397 /nfs/dbraw/zinc/54/93/97/1052549397.db2.gz CKCVJBPDPUOOKY-RBBKRZOGSA-N 2 2 397.567 3.805 20 0 GHADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001312053835 1052549403 /nfs/dbraw/zinc/54/94/03/1052549403.db2.gz CKCVJBPDPUOOKY-RBBKRZOGSA-N 2 2 397.567 3.805 20 0 GHADLP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3ccc(CSC(F)F)o3)c2)CC1 ZINC001318340736 1054576668 /nfs/dbraw/zinc/57/66/68/1054576668.db2.gz SNLYWRQYOVYBPB-UHFFFAOYSA-N 2 2 395.519 3.773 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(OCc2ccccc2)nc1 ZINC001318603121 1054743723 /nfs/dbraw/zinc/74/37/23/1054743723.db2.gz CVQHMEJPDBNHSN-UHFFFAOYSA-N 2 2 385.427 3.802 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCc1cccc(OC(C)(C)C)n1 ZINC001319091900 1055032244 /nfs/dbraw/zinc/03/22/44/1055032244.db2.gz JKZHAEUQMZWOSN-UHFFFAOYSA-N 2 2 379.464 3.719 20 0 GHADLP Cc1cc(F)ccc1-c1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1F ZINC001300613470 1056657447 /nfs/dbraw/zinc/65/74/47/1056657447.db2.gz PVVMJDMSIXLCTI-UHFFFAOYSA-N 2 2 389.490 3.554 20 0 GHADLP Cc1cc(F)ccc1-c1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1F ZINC001300613470 1056657451 /nfs/dbraw/zinc/65/74/51/1056657451.db2.gz PVVMJDMSIXLCTI-UHFFFAOYSA-N 2 2 389.490 3.554 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1coc(-c2ccccc2)n1 ZINC001323990312 1057050440 /nfs/dbraw/zinc/05/04/40/1057050440.db2.gz GSYKOFKPWIYXAA-AVRDEDQJSA-N 2 2 376.504 3.779 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1coc(-c2ccccc2)n1 ZINC001323990312 1057050446 /nfs/dbraw/zinc/05/04/46/1057050446.db2.gz GSYKOFKPWIYXAA-AVRDEDQJSA-N 2 2 376.504 3.779 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1coc(-c2ccccc2)n1 ZINC001323990317 1057050804 /nfs/dbraw/zinc/05/08/04/1057050804.db2.gz GSYKOFKPWIYXAA-XMSQKQJNSA-N 2 2 376.504 3.779 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1coc(-c2ccccc2)n1 ZINC001323990317 1057050807 /nfs/dbraw/zinc/05/08/07/1057050807.db2.gz GSYKOFKPWIYXAA-XMSQKQJNSA-N 2 2 376.504 3.779 20 0 GHADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001324049994 1057061192 /nfs/dbraw/zinc/06/11/92/1057061192.db2.gz VXLAMOWZZDVYPT-VQTJNVASSA-N 2 2 381.524 3.881 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(Br)c1OC ZINC000848575375 1057189212 /nfs/dbraw/zinc/18/92/12/1057189212.db2.gz PKWXUPQNUFGZBA-HZPDHXFCSA-N 2 2 383.330 3.573 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc(Br)c1OC ZINC000848575375 1057189213 /nfs/dbraw/zinc/18/92/13/1057189213.db2.gz PKWXUPQNUFGZBA-HZPDHXFCSA-N 2 2 383.330 3.573 20 0 GHADLP CC(C)Oc1ccc([C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)[NH+](C)C)cc1 ZINC000849077930 1057582989 /nfs/dbraw/zinc/58/29/89/1057582989.db2.gz QFXUKYJYNUQMDG-RTWAWAEBSA-N 2 2 396.535 3.714 20 0 GHADLP CC[NH+](CC)[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000849090963 1057589872 /nfs/dbraw/zinc/58/98/72/1057589872.db2.gz VFIKVXQSOGEERF-MRXNPFEDSA-N 2 2 382.430 3.995 20 0 GHADLP C[C@@H](c1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)o2)cc1)[NH+]1CCOCC1 ZINC001443696885 1059176288 /nfs/dbraw/zinc/17/62/88/1059176288.db2.gz FGDZZMWTYVLHHK-KRWDZBQOSA-N 2 2 383.492 3.521 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cnc(-c2ccccc2Cl)nc1 ZINC001444202536 1059280590 /nfs/dbraw/zinc/28/05/90/1059280590.db2.gz FVPSBZUQIUWCCU-UHFFFAOYSA-N 2 2 390.834 3.938 20 0 GHADLP CCc1ccc(C[NH+]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)CC2)s1 ZINC001444353603 1059315937 /nfs/dbraw/zinc/31/59/37/1059315937.db2.gz RJSDNPVCVZFMKY-UHFFFAOYSA-N 2 2 377.598 3.609 20 0 GHADLP CCc1ccc(C[NH+]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)CC2)s1 ZINC001444353603 1059315958 /nfs/dbraw/zinc/31/59/58/1059315958.db2.gz RJSDNPVCVZFMKY-UHFFFAOYSA-N 2 2 377.598 3.609 20 0 GHADLP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)[NH+](C)Cc3ccccc3)n2CC)C1 ZINC001340907371 1060238675 /nfs/dbraw/zinc/23/86/75/1060238675.db2.gz ZQDRIJCVKKCYEM-CTNGQTDRSA-N 2 2 398.599 3.659 20 0 GHADLP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)[NH+](C)Cc3ccccc3)n2CC)C1 ZINC001340907371 1060238694 /nfs/dbraw/zinc/23/86/94/1060238694.db2.gz ZQDRIJCVKKCYEM-CTNGQTDRSA-N 2 2 398.599 3.659 20 0 GHADLP CCC[NH+](C)C[C@@H]1CCN(c2nnc([C@@H](C)[N@H+](C)Cc3ccccc3)n2CC)C1 ZINC001340907371 1060238707 /nfs/dbraw/zinc/23/87/07/1060238707.db2.gz ZQDRIJCVKKCYEM-CTNGQTDRSA-N 2 2 398.599 3.659 20 0 GHADLP CCC[NH+](C)C[C@@H]1CCN(c2nnc([C@@H](C)[N@@H+](C)Cc3ccccc3)n2CC)C1 ZINC001340907371 1060238718 /nfs/dbraw/zinc/23/87/18/1060238718.db2.gz ZQDRIJCVKKCYEM-CTNGQTDRSA-N 2 2 398.599 3.659 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001455460063 1062165638 /nfs/dbraw/zinc/16/56/38/1062165638.db2.gz XTCRVWRQVYUAEC-CMCXCUNFSA-N 2 2 387.543 3.541 20 0 GHADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@H+]3C2)CC1 ZINC001455460063 1062165645 /nfs/dbraw/zinc/16/56/45/1062165645.db2.gz XTCRVWRQVYUAEC-CMCXCUNFSA-N 2 2 387.543 3.541 20 0 GHADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC001456222371 1062563025 /nfs/dbraw/zinc/56/30/25/1062563025.db2.gz REIBVCGZSOIIRP-FPOVZHCZSA-N 2 2 386.584 3.682 20 0 GHADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC001456222371 1062563044 /nfs/dbraw/zinc/56/30/44/1062563044.db2.gz REIBVCGZSOIIRP-FPOVZHCZSA-N 2 2 386.584 3.682 20 0 GHADLP C[NH+](C)Cc1ccc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)o1 ZINC001464140638 1064852968 /nfs/dbraw/zinc/85/29/68/1064852968.db2.gz YLHQGBMAKLPEES-SFHVURJKSA-N 2 2 375.900 3.562 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(CC[NH+](C)C)c2)C[C@H](C)O1 ZINC001464270365 1064935419 /nfs/dbraw/zinc/93/54/19/1064935419.db2.gz KKBPUPSJNMLDRA-OALUTQOASA-N 2 2 395.547 3.652 20 0 GHADLP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001464644458 1065132691 /nfs/dbraw/zinc/13/26/91/1065132691.db2.gz UCOKHKYHKKFDES-TYKWCNGQSA-N 2 2 398.526 3.782 20 0 GHADLP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[N@@H+]1CCc2sccc2C1 ZINC001357348654 1067057294 /nfs/dbraw/zinc/05/72/94/1067057294.db2.gz BRBHTSOQVQZRNV-INIZCTEOSA-N 2 2 387.549 3.504 20 0 GHADLP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[N@H+]1CCc2sccc2C1 ZINC001357348654 1067057304 /nfs/dbraw/zinc/05/73/04/1067057304.db2.gz BRBHTSOQVQZRNV-INIZCTEOSA-N 2 2 387.549 3.504 20 0 GHADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001477594680 1078481708 /nfs/dbraw/zinc/48/17/08/1078481708.db2.gz JKNRWHNIZMHASP-QRVBRYPASA-N 2 2 389.588 3.648 20 0 GHADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001477594680 1078481717 /nfs/dbraw/zinc/48/17/17/1078481717.db2.gz JKNRWHNIZMHASP-QRVBRYPASA-N 2 2 389.588 3.648 20 0 GHADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC001477598979 1078484795 /nfs/dbraw/zinc/48/47/95/1078484795.db2.gz WHOLJQSRJLSTAY-NBILRRPASA-N 2 2 398.595 3.538 20 0 GHADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC001477598979 1078484799 /nfs/dbraw/zinc/48/47/99/1078484799.db2.gz WHOLJQSRJLSTAY-NBILRRPASA-N 2 2 398.595 3.538 20 0 GHADLP CC1CC[NH+](CC[C@@H]2CCCN2C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC001477604730 1078487517 /nfs/dbraw/zinc/48/75/17/1078487517.db2.gz FKSAPFYZFZQTLP-NRFANRHFSA-N 2 2 395.551 3.668 20 0 GHADLP COc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(C)c1OC ZINC000490007354 1067218644 /nfs/dbraw/zinc/21/86/44/1067218644.db2.gz VRNDRGWOCINWEC-UHFFFAOYSA-N 2 2 384.524 3.550 20 0 GHADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC001467374089 1067259986 /nfs/dbraw/zinc/25/99/86/1067259986.db2.gz YVQPKASKZNFRLW-HXUWFJFHSA-N 2 2 397.523 3.505 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)[NH+](C)C)cc1 ZINC001468351408 1067699090 /nfs/dbraw/zinc/69/90/90/1067699090.db2.gz PGQDNIGPMACOLM-XMSQKQJNSA-N 2 2 391.519 3.844 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](Cc1ccccc1Cl)CC1CC1)c1ccccc1 ZINC001460100100 1068781349 /nfs/dbraw/zinc/78/13/49/1068781349.db2.gz NURGBKPBNGXDIQ-QFIPXVFZSA-N 2 2 399.966 3.971 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+](Cc1ccccc1Cl)CC1CC1)c1ccccc1 ZINC001460100100 1068781353 /nfs/dbraw/zinc/78/13/53/1068781353.db2.gz NURGBKPBNGXDIQ-QFIPXVFZSA-N 2 2 399.966 3.971 20 0 GHADLP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1(C)C ZINC001460128808 1068797963 /nfs/dbraw/zinc/79/79/63/1068797963.db2.gz SCTBJNVGBRQEJO-NSISKUIASA-N 2 2 379.976 3.501 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001460325131 1068925701 /nfs/dbraw/zinc/92/57/01/1068925701.db2.gz HELVGAGTTFFMNM-RTBURBONSA-N 2 2 384.524 3.962 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@H](C(C)C)CC3)CC2)CC1 ZINC001478485546 1078887603 /nfs/dbraw/zinc/88/76/03/1078887603.db2.gz BXJHFILACYJDJK-LEWJYISDSA-N 2 2 392.632 3.793 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@H](C(C)C)CC3)CC2)CC1 ZINC001478485546 1078887610 /nfs/dbraw/zinc/88/76/10/1078887610.db2.gz BXJHFILACYJDJK-LEWJYISDSA-N 2 2 392.632 3.793 20 0 GHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001473144615 1073805410 /nfs/dbraw/zinc/80/54/10/1073805410.db2.gz XIRDINGYRWCYOT-DHIUTWEWSA-N 3 2 398.639 3.663 20 0 GHADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2OC(F)F)CC1)Cc1ccccc1 ZINC001473152453 1073811799 /nfs/dbraw/zinc/81/17/99/1073811799.db2.gz XQFPDUZOCLDEDD-UHFFFAOYSA-N 2 2 389.490 3.538 20 0 GHADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2OC(F)F)CC1)Cc1ccccc1 ZINC001473152453 1073811801 /nfs/dbraw/zinc/81/18/01/1073811801.db2.gz XQFPDUZOCLDEDD-UHFFFAOYSA-N 2 2 389.490 3.538 20 0 GHADLP Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)cc1 ZINC001473254578 1073891514 /nfs/dbraw/zinc/89/15/14/1073891514.db2.gz JKRVQZPDYCWFOM-UHFFFAOYSA-N 2 2 391.559 3.939 20 0 GHADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001473651235 1074068521 /nfs/dbraw/zinc/06/85/21/1074068521.db2.gz LVSYPCMNPZKTAQ-CVEARBPZSA-N 2 2 395.510 3.743 20 0 GHADLP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001473651235 1074068525 /nfs/dbraw/zinc/06/85/25/1074068525.db2.gz LVSYPCMNPZKTAQ-CVEARBPZSA-N 2 2 395.510 3.743 20 0 GHADLP OC1(C[C@H]2CCCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)CCCCC1 ZINC001473787163 1074142501 /nfs/dbraw/zinc/14/25/01/1074142501.db2.gz BYTYCROTXVBJKU-HSZRJFAPSA-N 2 2 386.580 3.959 20 0 GHADLP OC1(C[C@H]2CCCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)CCCCC1 ZINC001473787163 1074142503 /nfs/dbraw/zinc/14/25/03/1074142503.db2.gz BYTYCROTXVBJKU-HSZRJFAPSA-N 2 2 386.580 3.959 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001473967136 1074220710 /nfs/dbraw/zinc/22/07/10/1074220710.db2.gz QGEBZFXFPONJOR-HNNXBMFYSA-N 2 2 376.526 3.813 20 0 GHADLP Clc1cc(C[NH2+]C[C@@H]2Cc3ccccc3O2)ccc1OCCn1cc[nH+]c1 ZINC001473984286 1074226470 /nfs/dbraw/zinc/22/64/70/1074226470.db2.gz ZGCXJKLQLBAREQ-SFHVURJKSA-N 2 2 383.879 3.709 20 0 GHADLP COc1nc2ccccc2cc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC001474078698 1074256863 /nfs/dbraw/zinc/25/68/63/1074256863.db2.gz QVNJIVGVSXXMHG-KRWDZBQOSA-N 2 2 376.504 3.954 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccc2oc(=O)oc2c1 ZINC001474254414 1074311511 /nfs/dbraw/zinc/31/15/11/1074311511.db2.gz RKYXZOWRJURPGX-UHFFFAOYSA-N 2 2 380.448 3.690 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001474658821 1074503653 /nfs/dbraw/zinc/50/36/53/1074503653.db2.gz TURMXFVUQHYCCI-KSSFIOAISA-N 2 2 394.357 3.773 20 0 GHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001474658821 1074503656 /nfs/dbraw/zinc/50/36/56/1074503656.db2.gz TURMXFVUQHYCCI-KSSFIOAISA-N 2 2 394.357 3.773 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C[C@H]1C(F)(F)F ZINC001474658220 1074503695 /nfs/dbraw/zinc/50/36/95/1074503695.db2.gz GSYWNWPNAFVSBA-QMCVQRASSA-N 2 2 376.463 3.503 20 0 GHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C[C@H]1C(F)(F)F ZINC001474658220 1074503697 /nfs/dbraw/zinc/50/36/97/1074503697.db2.gz GSYWNWPNAFVSBA-QMCVQRASSA-N 2 2 376.463 3.503 20 0 GHADLP Ic1cccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000508490456 564265336 /nfs/dbraw/zinc/26/53/36/564265336.db2.gz QFCNBOAXOPMEOK-UHFFFAOYSA-N 2 2 390.228 3.543 20 0 GHADLP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4cc[nH+]c(N5CCCCC5)n4)[C@H]3C2)cc1 ZINC001164623396 719096048 /nfs/dbraw/zinc/09/60/48/719096048.db2.gz CTAAVTHFYKWWKP-RTWAWAEBSA-N 2 2 377.536 3.568 20 0 GHADLP c1ccc(C[N@H+]2C[C@H]3CCCN(c4cc[nH+]c(N5CCCCC5)n4)[C@H]3C2)cc1 ZINC001164623396 719096053 /nfs/dbraw/zinc/09/60/53/719096053.db2.gz CTAAVTHFYKWWKP-RTWAWAEBSA-N 2 2 377.536 3.568 20 0 GHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3cc(OC)c(F)cc31)C2 ZINC001164812006 720196127 /nfs/dbraw/zinc/19/61/27/720196127.db2.gz KOZPGKBSRLXEHM-MBSDFSHPSA-N 2 2 399.510 3.567 20 0 GHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3cc(OC)c(F)cc31)C2 ZINC001164812006 720196132 /nfs/dbraw/zinc/19/61/32/720196132.db2.gz KOZPGKBSRLXEHM-MBSDFSHPSA-N 2 2 399.510 3.567 20 0 GHADLP Cc1cccc2c(C)cc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)[nH+]c12 ZINC001164762535 721081720 /nfs/dbraw/zinc/08/17/20/721081720.db2.gz FEBOPRIVIXXUKN-PMACEKPBSA-N 2 2 375.520 3.543 20 0 GHADLP Cc1cccc2c(C)cc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)[nH+]c12 ZINC001164762535 721081725 /nfs/dbraw/zinc/08/17/25/721081725.db2.gz FEBOPRIVIXXUKN-PMACEKPBSA-N 2 2 375.520 3.543 20 0 GHADLP c1cncc(C[N@@H+]2CCC3(C2)CCN(c2[nH+]ccc4c5c([nH]c42)CCC5)CC3)c1 ZINC001164963434 722024622 /nfs/dbraw/zinc/02/46/22/722024622.db2.gz TYBXXTHEPUGAHN-UHFFFAOYSA-N 2 2 387.531 3.939 20 0 GHADLP c1cncc(C[N@H+]2CCC3(C2)CCN(c2[nH+]ccc4c5c([nH]c42)CCC5)CC3)c1 ZINC001164963434 722024623 /nfs/dbraw/zinc/02/46/23/722024623.db2.gz TYBXXTHEPUGAHN-UHFFFAOYSA-N 2 2 387.531 3.939 20 0 GHADLP CC(C)(C)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]c1 ZINC001164973834 722157374 /nfs/dbraw/zinc/15/73/74/722157374.db2.gz MOUIDRHGMQQHKO-TZIWHRDSSA-N 2 2 380.536 3.501 20 0 GHADLP CC(C)(C)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]c1 ZINC001164973834 722157379 /nfs/dbraw/zinc/15/73/79/722157379.db2.gz MOUIDRHGMQQHKO-TZIWHRDSSA-N 2 2 380.536 3.501 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c(C)c1 ZINC000414083350 837425441 /nfs/dbraw/zinc/42/54/41/837425441.db2.gz WCKIFBYVAIGOAS-LJQANCHMSA-N 2 2 384.520 3.565 20 0 GHADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000431775813 837448832 /nfs/dbraw/zinc/44/88/32/837448832.db2.gz ZFWRXICQEBAQLU-YADHBBJMSA-N 2 2 397.567 3.631 20 0 GHADLP C[NH+](C)[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000431809800 837744641 /nfs/dbraw/zinc/74/46/41/837744641.db2.gz GJWBBCSVYGKOOC-VWPQPMDRSA-N 2 2 387.474 3.519 20 0 GHADLP C[NH+](C)[C@H](CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000431809800 837744652 /nfs/dbraw/zinc/74/46/52/837744652.db2.gz GJWBBCSVYGKOOC-VWPQPMDRSA-N 2 2 387.474 3.519 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548798021 834551862 /nfs/dbraw/zinc/55/18/62/834551862.db2.gz GZLQJMJUKOETGO-UWJYYQICSA-N 2 2 396.535 3.825 20 0 GHADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548798021 834551866 /nfs/dbraw/zinc/55/18/66/834551866.db2.gz GZLQJMJUKOETGO-UWJYYQICSA-N 2 2 396.535 3.825 20 0 GHADLP Fc1ccc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1Br ZINC000537944257 834785585 /nfs/dbraw/zinc/78/55/85/834785585.db2.gz UIXXMEBRLLSVIN-UHFFFAOYSA-N 2 2 378.289 3.784 20 0 GHADLP Cc1ccc(N2CCC(NC(=O)c3cccc(C[NH+]4CCCCC4)c3)CC2)[nH+]c1 ZINC000412127127 844017387 /nfs/dbraw/zinc/01/73/87/844017387.db2.gz KUBUXTPBWRRBEO-UHFFFAOYSA-N 2 2 392.547 3.775 20 0 GHADLP C[C@H]1C[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000510111702 835316838 /nfs/dbraw/zinc/31/68/38/835316838.db2.gz DWCLTAMKOKGOPR-FPOVZHCZSA-N 2 2 388.515 3.903 20 0 GHADLP C[C@H]1C[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[N@H+]1Cc1ccccc1 ZINC000510111702 835316845 /nfs/dbraw/zinc/31/68/45/835316845.db2.gz DWCLTAMKOKGOPR-FPOVZHCZSA-N 2 2 388.515 3.903 20 0 GHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2OCc2ccccn2)[C@H](C)C1 ZINC000093638800 835346646 /nfs/dbraw/zinc/34/66/46/835346646.db2.gz GLOQHALQVQCUQO-XMSQKQJNSA-N 2 2 383.536 3.831 20 0 GHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2OCc2ccccn2)[C@H](C)C1 ZINC000093638800 835346655 /nfs/dbraw/zinc/34/66/55/835346655.db2.gz GLOQHALQVQCUQO-XMSQKQJNSA-N 2 2 383.536 3.831 20 0 GHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)ccc2OCc2ccccn2)[C@H](C)C1 ZINC000093638800 835346664 /nfs/dbraw/zinc/34/66/64/835346664.db2.gz GLOQHALQVQCUQO-XMSQKQJNSA-N 2 2 383.536 3.831 20 0 GHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)ccc2OCc2ccccn2)[C@H](C)C1 ZINC000093638800 835346672 /nfs/dbraw/zinc/34/66/72/835346672.db2.gz GLOQHALQVQCUQO-XMSQKQJNSA-N 2 2 383.536 3.831 20 0 GHADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471175966 835448852 /nfs/dbraw/zinc/44/88/52/835448852.db2.gz GWMUACDZEZKECC-OLZOCXBDSA-N 2 2 382.386 3.515 20 0 GHADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471175966 835448855 /nfs/dbraw/zinc/44/88/55/835448855.db2.gz GWMUACDZEZKECC-OLZOCXBDSA-N 2 2 382.386 3.515 20 0 GHADLP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc2c(c1)CCO2 ZINC000162020796 835559295 /nfs/dbraw/zinc/55/92/95/835559295.db2.gz DEPWPLLWNCKIHK-QFIPXVFZSA-N 2 2 396.531 3.573 20 0 GHADLP COc1cc2ccc([C@H](C)[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2cc1OC ZINC000658295598 835560864 /nfs/dbraw/zinc/56/08/64/835560864.db2.gz NZFUDNMVRFYHKV-KKSFZXQISA-N 2 2 384.520 3.761 20 0 GHADLP CC(C)[NH+](CCSCC(=O)Nc1nc(C[NH+]2CCCC2)cs1)C(C)C ZINC000179490211 835741512 /nfs/dbraw/zinc/74/15/12/835741512.db2.gz UMBWXORRFLEFMA-UHFFFAOYSA-N 2 2 384.615 3.529 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](C3CC3)C3CCCC3)n2)CC1 ZINC000584208611 835761172 /nfs/dbraw/zinc/76/11/72/835761172.db2.gz QDNLLMGBPJQBNR-UHFFFAOYSA-N 2 2 376.570 3.721 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](C3CC3)C3CCCC3)n2)CC1 ZINC000584208611 835761179 /nfs/dbraw/zinc/76/11/79/835761179.db2.gz QDNLLMGBPJQBNR-UHFFFAOYSA-N 2 2 376.570 3.721 20 0 GHADLP CN(C(=O)/C=C\c1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000255769743 835780695 /nfs/dbraw/zinc/78/06/95/835780695.db2.gz HPROIGDBHNFCKS-COZHZMBOSA-N 2 2 387.543 3.635 20 0 GHADLP CN(C(=O)/C=C\c1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000255769743 835780702 /nfs/dbraw/zinc/78/07/02/835780702.db2.gz HPROIGDBHNFCKS-COZHZMBOSA-N 2 2 387.543 3.635 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)ccn12 ZINC000584240369 835794275 /nfs/dbraw/zinc/79/42/75/835794275.db2.gz FLGPXKQYXDTYOC-VXKWHMMOSA-N 2 2 388.515 3.769 20 0 GHADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)ccn12 ZINC000584240369 835794282 /nfs/dbraw/zinc/79/42/82/835794282.db2.gz FLGPXKQYXDTYOC-VXKWHMMOSA-N 2 2 388.515 3.769 20 0 GHADLP COCOCCC[N@@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001209032470 835903538 /nfs/dbraw/zinc/90/35/38/835903538.db2.gz VZBGQJPUXSALMD-UHFFFAOYSA-N 2 2 380.532 3.794 20 0 GHADLP COCOCCC[N@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001209032470 835903548 /nfs/dbraw/zinc/90/35/48/835903548.db2.gz VZBGQJPUXSALMD-UHFFFAOYSA-N 2 2 380.532 3.794 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)c(Cl)c2)CC1 ZINC000657849195 835929540 /nfs/dbraw/zinc/92/95/40/835929540.db2.gz GNSLAXYUULPXPR-GFCCVEGCSA-N 2 2 375.738 3.864 20 0 GHADLP Cn1cc([C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c2cccc(F)c2)cn1 ZINC000180091857 836062911 /nfs/dbraw/zinc/06/29/11/836062911.db2.gz XVGYZZZZEUEFMZ-JOCHJYFZSA-N 2 2 375.451 3.683 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000154876160 836118598 /nfs/dbraw/zinc/11/85/98/836118598.db2.gz PABDQBUPIMUSQK-LBPRGKRZSA-N 2 2 394.409 3.651 20 0 GHADLP COc1ccc([C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2Cl)cc1 ZINC000180496821 836181004 /nfs/dbraw/zinc/18/10/04/836181004.db2.gz KVRVYKDUVOSCDY-JTSKRJEESA-N 2 2 387.955 3.664 20 0 GHADLP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000548929912 836208802 /nfs/dbraw/zinc/20/88/02/836208802.db2.gz PSVUGOOBNADQKL-UHFFFAOYSA-N 2 2 380.536 3.708 20 0 GHADLP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000413778052 836322814 /nfs/dbraw/zinc/32/28/14/836322814.db2.gz BSGPPRHXUOGXKC-JOCHJYFZSA-N 2 2 381.495 3.598 20 0 GHADLP c1cc2cccc(C[NH2+]CCCCN3CC[NH+](Cc4ccccc4)CC3)c2[nH]1 ZINC000236698303 836439625 /nfs/dbraw/zinc/43/96/25/836439625.db2.gz MEQVCFCMJRPQQG-UHFFFAOYSA-N 2 2 376.548 3.856 20 0 GHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1O ZINC000432885236 844197238 /nfs/dbraw/zinc/19/72/38/844197238.db2.gz KNJPVURNZCAMGL-KNQAVFIVSA-N 2 2 398.547 3.603 20 0 GHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1O ZINC000432885236 844197244 /nfs/dbraw/zinc/19/72/44/844197244.db2.gz KNJPVURNZCAMGL-KNQAVFIVSA-N 2 2 398.547 3.603 20 0 GHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)NCc2c[nH+]cn2C)cc1)C[C@@H]1CCCCO1 ZINC000514971587 837036290 /nfs/dbraw/zinc/03/62/90/837036290.db2.gz AWQUJNJXAJIYPC-NRFANRHFSA-N 2 2 399.539 3.521 20 0 GHADLP CC(C)[N@H+](Cc1ccc(NC(=O)NCc2c[nH+]cn2C)cc1)C[C@@H]1CCCCO1 ZINC000514971587 837036302 /nfs/dbraw/zinc/03/63/02/837036302.db2.gz AWQUJNJXAJIYPC-NRFANRHFSA-N 2 2 399.539 3.521 20 0 GHADLP CSc1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc3cccnc3)C1)OCCO2 ZINC000275533201 837181244 /nfs/dbraw/zinc/18/12/44/837181244.db2.gz DWOFSXLOUCBDPE-SFHVURJKSA-N 2 2 399.560 3.529 20 0 GHADLP CSc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+](C)Cc3cccnc3)C1)OCCO2 ZINC000275533201 837181250 /nfs/dbraw/zinc/18/12/50/837181250.db2.gz DWOFSXLOUCBDPE-SFHVURJKSA-N 2 2 399.560 3.529 20 0 GHADLP CSc1cc2c(cc1C[NH+]1CC[C@@H](C[N@H+](C)Cc3cccnc3)C1)OCCO2 ZINC000275533201 837181257 /nfs/dbraw/zinc/18/12/57/837181257.db2.gz DWOFSXLOUCBDPE-SFHVURJKSA-N 2 2 399.560 3.529 20 0 GHADLP CSc1cc2c(cc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc3cccnc3)C1)OCCO2 ZINC000275533201 837181263 /nfs/dbraw/zinc/18/12/63/837181263.db2.gz DWOFSXLOUCBDPE-SFHVURJKSA-N 2 2 399.560 3.529 20 0 GHADLP [NH3+][C@@H](C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000237823597 837360166 /nfs/dbraw/zinc/36/01/66/837360166.db2.gz SXHDDAFBSJQBGB-IFMALSPDSA-N 2 2 391.540 3.664 20 0 GHADLP [NH3+][C@@H](C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000237823597 837360178 /nfs/dbraw/zinc/36/01/78/837360178.db2.gz SXHDDAFBSJQBGB-IFMALSPDSA-N 2 2 391.540 3.664 20 0 GHADLP [NH3+][C@H](CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccccc1 ZINC000415593792 837835204 /nfs/dbraw/zinc/83/52/04/837835204.db2.gz HFQWHSFSHDSKNH-HXUWFJFHSA-N 2 2 375.476 3.708 20 0 GHADLP Clc1c(Br)cccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655775693 837847760 /nfs/dbraw/zinc/84/77/60/837847760.db2.gz BRSUSMQVNLKFLV-HNNXBMFYSA-N 2 2 387.749 3.836 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000177357877 837920633 /nfs/dbraw/zinc/92/06/33/837920633.db2.gz UTORHYLOFNOSRH-UHFFFAOYSA-N 2 2 385.508 3.762 20 0 GHADLP CCc1oc(C(=O)OC)cc1C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000177357877 837920636 /nfs/dbraw/zinc/92/06/36/837920636.db2.gz UTORHYLOFNOSRH-UHFFFAOYSA-N 2 2 385.508 3.762 20 0 GHADLP C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000177485680 837964582 /nfs/dbraw/zinc/96/45/82/837964582.db2.gz DHHWOVCYBWVFIN-HKUYNNGSSA-N 2 2 388.556 3.818 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000377826054 838021702 /nfs/dbraw/zinc/02/17/02/838021702.db2.gz IJXJSBPKAUZGSN-CQSZACIVSA-N 2 2 386.297 3.562 20 0 GHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000377826054 838021711 /nfs/dbraw/zinc/02/17/11/838021711.db2.gz IJXJSBPKAUZGSN-CQSZACIVSA-N 2 2 386.297 3.562 20 0 GHADLP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000415911997 838268366 /nfs/dbraw/zinc/26/83/66/838268366.db2.gz FQOIJKLLDABMSC-WOJBJXKFSA-N 2 2 388.462 3.641 20 0 GHADLP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000415911997 838268371 /nfs/dbraw/zinc/26/83/71/838268371.db2.gz FQOIJKLLDABMSC-WOJBJXKFSA-N 2 2 388.462 3.641 20 0 GHADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000179592282 838546616 /nfs/dbraw/zinc/54/66/16/838546616.db2.gz LURREUODQYAUBY-JRGCBEDISA-N 2 2 378.605 3.544 20 0 GHADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000179592282 838546619 /nfs/dbraw/zinc/54/66/19/838546619.db2.gz LURREUODQYAUBY-JRGCBEDISA-N 2 2 378.605 3.544 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000549401699 838627201 /nfs/dbraw/zinc/62/72/01/838627201.db2.gz VCHBCKIMNQZVIW-RXVVDRJESA-N 2 2 381.568 3.971 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000549401699 838627203 /nfs/dbraw/zinc/62/72/03/838627203.db2.gz VCHBCKIMNQZVIW-RXVVDRJESA-N 2 2 381.568 3.971 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000549401699 838627207 /nfs/dbraw/zinc/62/72/07/838627207.db2.gz VCHBCKIMNQZVIW-RXVVDRJESA-N 2 2 381.568 3.971 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000549401699 838627210 /nfs/dbraw/zinc/62/72/10/838627210.db2.gz VCHBCKIMNQZVIW-RXVVDRJESA-N 2 2 381.568 3.971 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000549401619 838632097 /nfs/dbraw/zinc/63/20/97/838632097.db2.gz PMUHNFQWQCLKCX-OAQYLSRUSA-N 2 2 381.568 3.828 20 0 GHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000549401619 838632099 /nfs/dbraw/zinc/63/20/99/838632099.db2.gz PMUHNFQWQCLKCX-OAQYLSRUSA-N 2 2 381.568 3.828 20 0 GHADLP COc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C(C)C)c(Br)c1 ZINC000580132873 838941452 /nfs/dbraw/zinc/94/14/52/838941452.db2.gz HRDRLSSBENPJDJ-ACJLOTCBSA-N 2 2 378.314 3.956 20 0 GHADLP Brc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000228314734 838969866 /nfs/dbraw/zinc/96/98/66/838969866.db2.gz JBDANMPNTATOGZ-CABCVRRESA-N 2 2 388.147 3.928 20 0 GHADLP Brc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1Br ZINC000228314734 838969868 /nfs/dbraw/zinc/96/98/68/838969868.db2.gz JBDANMPNTATOGZ-CABCVRRESA-N 2 2 388.147 3.928 20 0 GHADLP Cc1ccc(-c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)s2)o1 ZINC000378614632 839426085 /nfs/dbraw/zinc/42/60/85/839426085.db2.gz GTGXQZZILOEQPA-KRWDZBQOSA-N 2 2 387.549 3.557 20 0 GHADLP Cc1ccc(-c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)s2)o1 ZINC000378614632 839426095 /nfs/dbraw/zinc/42/60/95/839426095.db2.gz GTGXQZZILOEQPA-KRWDZBQOSA-N 2 2 387.549 3.557 20 0 GHADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000580499315 839694743 /nfs/dbraw/zinc/69/47/43/839694743.db2.gz WMCIQKJZFVSQBG-CCDWMCETSA-N 3 2 386.543 3.932 20 0 GHADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000580499315 839694749 /nfs/dbraw/zinc/69/47/49/839694749.db2.gz WMCIQKJZFVSQBG-CCDWMCETSA-N 3 2 386.543 3.932 20 0 GHADLP C[NH2+]Cc1cccc(Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)[nH+]c2)c1 ZINC001211136448 839714014 /nfs/dbraw/zinc/71/40/14/839714014.db2.gz XQIVACPMDCPQTN-UHFFFAOYSA-N 2 2 397.523 3.602 20 0 GHADLP CCN(C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580685184 840013267 /nfs/dbraw/zinc/01/32/67/840013267.db2.gz KARNUUWPBSQCSY-FQEVSTJZSA-N 2 2 377.492 3.771 20 0 GHADLP CCN(C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580685184 840013270 /nfs/dbraw/zinc/01/32/70/840013270.db2.gz KARNUUWPBSQCSY-FQEVSTJZSA-N 2 2 377.492 3.771 20 0 GHADLP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC1 ZINC000580780538 840171541 /nfs/dbraw/zinc/17/15/41/840171541.db2.gz LXEJBCHFIWBLJW-MXVIHJGJSA-N 2 2 393.535 3.541 20 0 GHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C)c2Br)[C@@H](C)C1 ZINC000468789870 840533175 /nfs/dbraw/zinc/53/31/75/840533175.db2.gz CRKLPMQQAKYNGK-FUHWJXTLSA-N 2 2 383.374 3.984 20 0 GHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C)c2Br)[C@@H](C)C1 ZINC000468789870 840533188 /nfs/dbraw/zinc/53/31/88/840533188.db2.gz CRKLPMQQAKYNGK-FUHWJXTLSA-N 2 2 383.374 3.984 20 0 GHADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000581040774 840625229 /nfs/dbraw/zinc/62/52/29/840625229.db2.gz ZQGJNKPDWZVNOH-YOEHRIQHSA-N 2 2 376.850 3.855 20 0 GHADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000581040774 840625236 /nfs/dbraw/zinc/62/52/36/840625236.db2.gz ZQGJNKPDWZVNOH-YOEHRIQHSA-N 2 2 376.850 3.855 20 0 GHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000511832744 840899619 /nfs/dbraw/zinc/89/96/19/840899619.db2.gz CHFGOKWMSVULRC-UHFFFAOYSA-N 2 2 396.491 3.813 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3ccc(C)nc3C)CC2)cc1 ZINC000651437284 840984167 /nfs/dbraw/zinc/98/41/67/840984167.db2.gz QKGNLACOMTZPNA-GOSISDBHSA-N 2 2 380.536 3.972 20 0 GHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000430547187 841005727 /nfs/dbraw/zinc/00/57/27/841005727.db2.gz UIHUZKHFPMGFKB-BPXKWBHBSA-N 2 2 385.939 3.605 20 0 GHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000430547187 841005732 /nfs/dbraw/zinc/00/57/32/841005732.db2.gz UIHUZKHFPMGFKB-BPXKWBHBSA-N 2 2 385.939 3.605 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)[NH+](C)C)cc1 ZINC000510383228 841052125 /nfs/dbraw/zinc/05/21/25/841052125.db2.gz COSQVSDRBZMMOL-JOCHJYFZSA-N 2 2 376.504 3.776 20 0 GHADLP CC[NH2+]CC1CC[NH+]([C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)CC1 ZINC000430573636 841192130 /nfs/dbraw/zinc/19/21/30/841192130.db2.gz MJKOUHJRKJNNAF-KBPBESRZSA-N 2 2 388.581 3.904 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000430575815 841205038 /nfs/dbraw/zinc/20/50/38/841205038.db2.gz AIMUFRDIGGMXQI-DKZVUGQWSA-N 2 2 385.939 3.605 20 0 GHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000430575815 841205045 /nfs/dbraw/zinc/20/50/45/841205045.db2.gz AIMUFRDIGGMXQI-DKZVUGQWSA-N 2 2 385.939 3.605 20 0 GHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000319128261 841231057 /nfs/dbraw/zinc/23/10/57/841231057.db2.gz GUZSPRLAACJUPE-JTQLQIEISA-N 2 2 378.192 3.723 20 0 GHADLP c1ccc([C@@H]2C[C@H]2CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)cc1 ZINC000417963399 841328880 /nfs/dbraw/zinc/32/88/80/841328880.db2.gz DIROIWASTOTXAK-ICSRJNTNSA-N 2 2 376.504 3.653 20 0 GHADLP CSc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000500240262 841720756 /nfs/dbraw/zinc/72/07/56/841720756.db2.gz ZYDMYBDFWXGWMC-KRWDZBQOSA-N 2 2 399.560 3.530 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC3CCCCC3)C2)s1 ZINC000581634531 841846732 /nfs/dbraw/zinc/84/67/32/841846732.db2.gz SOAJNGPSOVEHJJ-ROUUACIJSA-N 2 2 377.598 3.648 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC3CCCCC3)C2)s1 ZINC000581634531 841846737 /nfs/dbraw/zinc/84/67/37/841846737.db2.gz SOAJNGPSOVEHJJ-ROUUACIJSA-N 2 2 377.598 3.648 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NC3CCCCC3)C2)s1 ZINC000581634531 841846743 /nfs/dbraw/zinc/84/67/43/841846743.db2.gz SOAJNGPSOVEHJJ-ROUUACIJSA-N 2 2 377.598 3.648 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NC3CCCCC3)C2)s1 ZINC000581634531 841846749 /nfs/dbraw/zinc/84/67/49/841846749.db2.gz SOAJNGPSOVEHJJ-ROUUACIJSA-N 2 2 377.598 3.648 20 0 GHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(-n3cccn3)cc2)cc1 ZINC000656790540 841928744 /nfs/dbraw/zinc/92/87/44/841928744.db2.gz YGRGSDXXLCKJPM-GOTSBHOMSA-N 2 2 376.504 3.506 20 0 GHADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(F)c(Cl)c3Cl)cn2)CC1 ZINC000432230247 842064189 /nfs/dbraw/zinc/06/41/89/842064189.db2.gz ZPZGYFJVJJOFNB-UHFFFAOYSA-N 2 2 383.298 3.569 20 0 GHADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000581742911 842130349 /nfs/dbraw/zinc/13/03/49/842130349.db2.gz WOUZKYUNLVYAJP-SFHVURJKSA-N 2 2 383.517 3.664 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177923600 861284062 /nfs/dbraw/zinc/28/40/62/861284062.db2.gz DAZDAYYPLNEHLC-GOSISDBHSA-N 2 2 391.519 3.708 20 0 GHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177923600 861284081 /nfs/dbraw/zinc/28/40/81/861284081.db2.gz DAZDAYYPLNEHLC-GOSISDBHSA-N 2 2 391.519 3.708 20 0 GHADLP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000625239098 861285982 /nfs/dbraw/zinc/28/59/82/861285982.db2.gz BJACWMTYLMCVJE-YPAWHYETSA-N 2 2 380.536 3.595 20 0 GHADLP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000625239098 861285997 /nfs/dbraw/zinc/28/59/97/861285997.db2.gz BJACWMTYLMCVJE-YPAWHYETSA-N 2 2 380.536 3.595 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352394 842342202 /nfs/dbraw/zinc/34/22/02/842342202.db2.gz PLPMMNMFVPOKLV-KWOQKUFVSA-N 2 2 393.531 3.744 20 0 GHADLP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352394 842342212 /nfs/dbraw/zinc/34/22/12/842342212.db2.gz PLPMMNMFVPOKLV-KWOQKUFVSA-N 2 2 393.531 3.744 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(F)c(Cl)c3Cl)[nH+]c2)C1 ZINC000432255814 842408294 /nfs/dbraw/zinc/40/82/94/842408294.db2.gz RAJVXZMQCMMRNR-CQSZACIVSA-N 2 2 383.298 3.702 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc2c(c1)CCCC2 ZINC000247281642 842432961 /nfs/dbraw/zinc/43/29/61/842432961.db2.gz DUKFYTGSNZGOGX-KGVIQGDOSA-N 2 2 380.536 3.522 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc2c(c1)CCCC2 ZINC000247281642 842432964 /nfs/dbraw/zinc/43/29/64/842432964.db2.gz DUKFYTGSNZGOGX-KGVIQGDOSA-N 2 2 380.536 3.522 20 0 GHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3ncc(C[NH+](C)C)s3)cc2)C1 ZINC000512116816 842546759 /nfs/dbraw/zinc/54/67/59/842546759.db2.gz PVSUEWOOKIQNSO-ROUUACIJSA-N 3 2 386.609 3.972 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)[C@@H](C)C1 ZINC000248480553 842680589 /nfs/dbraw/zinc/68/05/89/842680589.db2.gz APBSXEURLPPBTC-MPGHIAIKSA-N 2 2 399.373 3.942 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)[C@@H](C)C1 ZINC000248480553 842680594 /nfs/dbraw/zinc/68/05/94/842680594.db2.gz APBSXEURLPPBTC-MPGHIAIKSA-N 2 2 399.373 3.942 20 0 GHADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(OCC(F)(F)F)c1Br ZINC000662264811 843031657 /nfs/dbraw/zinc/03/16/57/843031657.db2.gz MMAYTVGHUIBFKB-GHMZBOCLSA-N 2 2 381.236 3.559 20 0 GHADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(OCC(F)(F)F)c1Br ZINC000662264811 843031666 /nfs/dbraw/zinc/03/16/66/843031666.db2.gz MMAYTVGHUIBFKB-GHMZBOCLSA-N 2 2 381.236 3.559 20 0 GHADLP C[C@@H](CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@H]1CCC[NH2+]C1 ZINC000430839470 843056126 /nfs/dbraw/zinc/05/61/26/843056126.db2.gz ONFQPHDQRJBXJD-WMZOPIPTSA-N 2 2 398.576 3.666 20 0 GHADLP C[C@@H](CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@H]1CCC[NH2+]C1 ZINC000430839470 843056147 /nfs/dbraw/zinc/05/61/47/843056147.db2.gz ONFQPHDQRJBXJD-WMZOPIPTSA-N 2 2 398.576 3.666 20 0 GHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000510697638 843204869 /nfs/dbraw/zinc/20/48/69/843204869.db2.gz IDNAZIMQXPLWTH-UHFFFAOYSA-N 2 2 388.471 3.669 20 0 GHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512256858 843244834 /nfs/dbraw/zinc/24/48/34/843244834.db2.gz CIGNIMBEMJKHIT-CTVDGRRTSA-N 2 2 383.580 3.762 20 0 GHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512256858 843244845 /nfs/dbraw/zinc/24/48/45/843244845.db2.gz CIGNIMBEMJKHIT-CTVDGRRTSA-N 2 2 383.580 3.762 20 0 GHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512256858 843244855 /nfs/dbraw/zinc/24/48/55/843244855.db2.gz CIGNIMBEMJKHIT-CTVDGRRTSA-N 2 2 383.580 3.762 20 0 GHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512256858 843244873 /nfs/dbraw/zinc/24/48/73/843244873.db2.gz CIGNIMBEMJKHIT-CTVDGRRTSA-N 2 2 383.580 3.762 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512291369 843327309 /nfs/dbraw/zinc/32/73/09/843327309.db2.gz IFEQNMIUJUDZMA-PXDATVDWSA-N 2 2 391.559 3.804 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512291369 843327314 /nfs/dbraw/zinc/32/73/14/843327314.db2.gz IFEQNMIUJUDZMA-PXDATVDWSA-N 2 2 391.559 3.804 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512291369 843327324 /nfs/dbraw/zinc/32/73/24/843327324.db2.gz IFEQNMIUJUDZMA-PXDATVDWSA-N 2 2 391.559 3.804 20 0 GHADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512291369 843327333 /nfs/dbraw/zinc/32/73/33/843327333.db2.gz IFEQNMIUJUDZMA-PXDATVDWSA-N 2 2 391.559 3.804 20 0 GHADLP CN(C(=O)CC1CCC(F)(F)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000626261699 843555153 /nfs/dbraw/zinc/55/51/53/843555153.db2.gz HMAFDJGAKIZRLN-WOJBJXKFSA-N 2 2 399.570 3.998 20 0 GHADLP CN(C(=O)CC1CCC(F)(F)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000626261699 843555164 /nfs/dbraw/zinc/55/51/64/843555164.db2.gz HMAFDJGAKIZRLN-WOJBJXKFSA-N 2 2 399.570 3.998 20 0 GHADLP CC(C)COc1cccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000510843825 843608699 /nfs/dbraw/zinc/60/86/99/843608699.db2.gz XMNLLDOGXSQEES-UHFFFAOYSA-N 2 2 382.552 3.681 20 0 GHADLP CCCCN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H](C)c1ccccc1 ZINC000604209313 843652835 /nfs/dbraw/zinc/65/28/35/843652835.db2.gz RKHYIHLGWGKPCA-TZIWHRDSSA-N 2 2 386.584 3.728 20 0 GHADLP CCCCN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H](C)c1ccccc1 ZINC000604209313 843652840 /nfs/dbraw/zinc/65/28/40/843652840.db2.gz RKHYIHLGWGKPCA-TZIWHRDSSA-N 2 2 386.584 3.728 20 0 GHADLP Fc1cc(Br)ccc1[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000925777554 843688801 /nfs/dbraw/zinc/68/88/01/843688801.db2.gz POXLBCRURLOSNI-IAQYHMDHSA-N 2 2 377.248 3.874 20 0 GHADLP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000419289410 843896072 /nfs/dbraw/zinc/89/60/72/843896072.db2.gz IWXMXAQGFYAWLD-KRWDZBQOSA-N 2 2 382.335 3.705 20 0 GHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@@H](C)c3cccs3)CC2)cc1 ZINC000051501892 843919867 /nfs/dbraw/zinc/91/98/67/843919867.db2.gz ILWMYJVQCMZLEZ-IBGZPJMESA-N 2 2 385.577 3.784 20 0 GHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@@H](C)c3cccs3)CC2)cc1 ZINC000051501892 843919871 /nfs/dbraw/zinc/91/98/71/843919871.db2.gz ILWMYJVQCMZLEZ-IBGZPJMESA-N 2 2 385.577 3.784 20 0 GHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@@H](C)c3cccs3)CC2)cc1 ZINC000051501892 843919874 /nfs/dbraw/zinc/91/98/74/843919874.db2.gz ILWMYJVQCMZLEZ-IBGZPJMESA-N 2 2 385.577 3.784 20 0 GHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@@H](C)c3cccs3)CC2)cc1 ZINC000051501892 843919879 /nfs/dbraw/zinc/91/98/79/843919879.db2.gz ILWMYJVQCMZLEZ-IBGZPJMESA-N 2 2 385.577 3.784 20 0 GHADLP OCC1([C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c2ccccc2)CCC1 ZINC000433299910 843987507 /nfs/dbraw/zinc/98/75/07/843987507.db2.gz RWUKGXFHUNHWSF-BJKOFHAPSA-N 2 2 394.559 3.771 20 0 GHADLP OCC1([C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ccccc2)CCC1 ZINC000433299910 843987512 /nfs/dbraw/zinc/98/75/12/843987512.db2.gz RWUKGXFHUNHWSF-BJKOFHAPSA-N 2 2 394.559 3.771 20 0 GHADLP CN(C(=O)[C@H]1CC12CCCCC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535853065 844796941 /nfs/dbraw/zinc/79/69/41/844796941.db2.gz ACJUEDRNHSGEDJ-NJYVYQBISA-N 2 2 375.601 3.752 20 0 GHADLP CN(C(=O)[C@H]1CC12CCCCC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535853065 844796945 /nfs/dbraw/zinc/79/69/45/844796945.db2.gz ACJUEDRNHSGEDJ-NJYVYQBISA-N 2 2 375.601 3.752 20 0 GHADLP COc1ccccc1-n1nccc1C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000430007902 845110452 /nfs/dbraw/zinc/11/04/52/845110452.db2.gz TXRWMFXECYDKBS-UHFFFAOYSA-N 2 2 390.531 3.944 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000513512775 845584788 /nfs/dbraw/zinc/58/47/88/845584788.db2.gz QHQQAXBTOVPBLS-QHCPKHFHSA-N 2 2 388.515 3.716 20 0 GHADLP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000513512775 845584808 /nfs/dbraw/zinc/58/48/08/845584808.db2.gz QHQQAXBTOVPBLS-QHCPKHFHSA-N 2 2 388.515 3.716 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(F)cc3C(F)(F)F)CC2)CC1 ZINC000421368832 846180318 /nfs/dbraw/zinc/18/03/18/846180318.db2.gz GOGWTYSSHMLXGN-UHFFFAOYSA-N 2 2 387.465 3.837 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(F)cc3C(F)(F)F)CC2)CC1 ZINC000421368832 846180323 /nfs/dbraw/zinc/18/03/23/846180323.db2.gz GOGWTYSSHMLXGN-UHFFFAOYSA-N 2 2 387.465 3.837 20 0 GHADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000582095801 846344967 /nfs/dbraw/zinc/34/49/67/846344967.db2.gz MQYNTIRGRYZXAZ-TZIWHRDSSA-N 2 2 385.556 3.661 20 0 GHADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000582095801 846344973 /nfs/dbraw/zinc/34/49/73/846344973.db2.gz MQYNTIRGRYZXAZ-TZIWHRDSSA-N 2 2 385.556 3.661 20 0 GHADLP COc1cccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1OC1CCCC1 ZINC000657360801 846523798 /nfs/dbraw/zinc/52/37/98/846523798.db2.gz UKNQRBPYRIRHFU-UHFFFAOYSA-N 2 2 378.476 3.887 20 0 GHADLP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000502862506 846568664 /nfs/dbraw/zinc/56/86/64/846568664.db2.gz NSUQVCFQOHUBIR-DTDSUUGDSA-N 2 2 398.595 3.539 20 0 GHADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000502862506 846568669 /nfs/dbraw/zinc/56/86/69/846568669.db2.gz NSUQVCFQOHUBIR-DTDSUUGDSA-N 2 2 398.595 3.539 20 0 GHADLP COc1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C2CC2)c(F)c1 ZINC000421822621 846602176 /nfs/dbraw/zinc/60/21/76/846602176.db2.gz XMANZFMRRYKIJM-DEOSSOPVSA-N 2 2 397.538 3.823 20 0 GHADLP C[C@H](C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1cccc(Br)c1 ZINC000093148101 846615072 /nfs/dbraw/zinc/61/50/72/846615072.db2.gz XZCGXDYWRPSSKI-YLJYHZDGSA-N 2 2 394.401 3.655 20 0 GHADLP C[C@H](C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1cccc(Br)c1 ZINC000093148101 846615076 /nfs/dbraw/zinc/61/50/76/846615076.db2.gz XZCGXDYWRPSSKI-YLJYHZDGSA-N 2 2 394.401 3.655 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000422148895 846853483 /nfs/dbraw/zinc/85/34/83/846853483.db2.gz XQXVMONPOBSWSD-QGZVFWFLSA-N 2 2 392.975 3.603 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000422148895 846853491 /nfs/dbraw/zinc/85/34/91/846853491.db2.gz XQXVMONPOBSWSD-QGZVFWFLSA-N 2 2 392.975 3.603 20 0 GHADLP c1cncc([C@H]2CCC[C@@H]([NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)C2)c1 ZINC000501473134 846944351 /nfs/dbraw/zinc/94/43/51/846944351.db2.gz BJBYKMZGSQMFGF-JTHBVZDNSA-N 2 2 395.547 3.609 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000501608362 847043681 /nfs/dbraw/zinc/04/36/81/847043681.db2.gz RRUVCMXJKWWODZ-PMACEKPBSA-N 2 2 388.515 3.666 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000501608362 847043696 /nfs/dbraw/zinc/04/36/96/847043696.db2.gz RRUVCMXJKWWODZ-PMACEKPBSA-N 2 2 388.515 3.666 20 0 GHADLP COCc1cc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)ccc1OC ZINC000272316676 847047070 /nfs/dbraw/zinc/04/70/70/847047070.db2.gz UZFBTJAPYQQYIZ-QGZVFWFLSA-N 2 2 398.551 3.940 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000604069853 861749148 /nfs/dbraw/zinc/74/91/48/861749148.db2.gz NWSOPEBMTIHCGU-VWNXMTODSA-N 2 2 380.532 3.999 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000604069853 861749160 /nfs/dbraw/zinc/74/91/60/861749160.db2.gz NWSOPEBMTIHCGU-VWNXMTODSA-N 2 2 380.532 3.999 20 0 GHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000420355137 847136246 /nfs/dbraw/zinc/13/62/46/847136246.db2.gz BTVGREFTRFVHRC-FGZHOGPDSA-N 2 2 387.568 3.636 20 0 GHADLP CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3c(C)c(C)[nH+]c4ccccc43)CC2)n1 ZINC000273296818 847297473 /nfs/dbraw/zinc/29/74/73/847297473.db2.gz GMPVFZLWZRYMAY-KRWDZBQOSA-N 2 2 395.507 3.654 20 0 GHADLP CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3c(C)c(C)[nH+]c4ccccc43)CC2)n1 ZINC000273296818 847297481 /nfs/dbraw/zinc/29/74/81/847297481.db2.gz GMPVFZLWZRYMAY-KRWDZBQOSA-N 2 2 395.507 3.654 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CC3(CN(C(=O)OC(C)(C)C)C3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168044876 861803362 /nfs/dbraw/zinc/80/33/62/861803362.db2.gz HEASHRCUGWJDFC-CEQLMSFQSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CC3(CN(C(=O)OC(C)(C)C)C3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168044876 861803380 /nfs/dbraw/zinc/80/33/80/861803380.db2.gz HEASHRCUGWJDFC-CEQLMSFQSA-N 2 2 399.579 3.981 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(N2CCCC2)c1 ZINC000420931646 847552027 /nfs/dbraw/zinc/55/20/27/847552027.db2.gz GLPCIHCPMKRGKI-FQEVSTJZSA-N 2 2 379.548 3.970 20 0 GHADLP c1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420951187 847571362 /nfs/dbraw/zinc/57/13/62/847571362.db2.gz RXCUOXINAUUDBK-QFIPXVFZSA-N 2 2 390.531 3.533 20 0 GHADLP c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420951187 847571366 /nfs/dbraw/zinc/57/13/66/847571366.db2.gz RXCUOXINAUUDBK-QFIPXVFZSA-N 2 2 390.531 3.533 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3coc(-c4ccc(C)cc4)n3)CC2)CC1 ZINC000421020589 847642228 /nfs/dbraw/zinc/64/22/28/847642228.db2.gz ZPMICNPSKNNVCY-UHFFFAOYSA-N 2 2 382.552 3.642 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3coc(-c4ccc(C)cc4)n3)CC2)CC1 ZINC000421020589 847642232 /nfs/dbraw/zinc/64/22/32/847642232.db2.gz ZPMICNPSKNNVCY-UHFFFAOYSA-N 2 2 382.552 3.642 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503406001 847669435 /nfs/dbraw/zinc/66/94/35/847669435.db2.gz KKGZEPQOHCUVQV-HXUWFJFHSA-N 2 2 375.520 3.844 20 0 GHADLP c1ncn(Cc2ccccc2)c1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503406001 847669437 /nfs/dbraw/zinc/66/94/37/847669437.db2.gz KKGZEPQOHCUVQV-HXUWFJFHSA-N 2 2 375.520 3.844 20 0 GHADLP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000503414574 847679644 /nfs/dbraw/zinc/67/96/44/847679644.db2.gz FPDQBXARZAHGBV-UNMCSNQZSA-N 2 2 397.563 3.764 20 0 GHADLP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000503414574 847679651 /nfs/dbraw/zinc/67/96/51/847679651.db2.gz FPDQBXARZAHGBV-UNMCSNQZSA-N 2 2 397.563 3.764 20 0 GHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cc(SC)ccc3C)CC2)CC1 ZINC000421082121 847724760 /nfs/dbraw/zinc/72/47/60/847724760.db2.gz BYKBIAICLDUMNG-UHFFFAOYSA-N 2 2 390.597 3.741 20 0 GHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cc(SC)ccc3C)CC2)CC1 ZINC000421082121 847724762 /nfs/dbraw/zinc/72/47/62/847724762.db2.gz BYKBIAICLDUMNG-UHFFFAOYSA-N 2 2 390.597 3.741 20 0 GHADLP COc1ccccc1-n1nccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502324272 847737170 /nfs/dbraw/zinc/73/71/70/847737170.db2.gz BRUGMEYORLWPMC-SFHVURJKSA-N 2 2 391.519 3.793 20 0 GHADLP COc1ccccc1-n1nccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502324272 847737174 /nfs/dbraw/zinc/73/71/74/847737174.db2.gz BRUGMEYORLWPMC-SFHVURJKSA-N 2 2 391.519 3.793 20 0 GHADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000422632149 847742398 /nfs/dbraw/zinc/74/23/98/847742398.db2.gz GIGWUMNNWCDHTE-GRYCIOLGSA-N 2 2 377.838 3.603 20 0 GHADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000422632149 847742407 /nfs/dbraw/zinc/74/24/07/847742407.db2.gz GIGWUMNNWCDHTE-GRYCIOLGSA-N 2 2 377.838 3.603 20 0 GHADLP Fc1cccc(Cl)c1CN1CCC([NH2+]CCc2cn3c([nH+]2)CCCC3)CC1 ZINC000152831625 847769552 /nfs/dbraw/zinc/76/95/52/847769552.db2.gz RNKMFPQINYWTIW-UHFFFAOYSA-N 2 2 390.934 3.809 20 0 GHADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCCSc1ccccc1Br ZINC000422749974 847809906 /nfs/dbraw/zinc/80/99/06/847809906.db2.gz BQLFUHSITPCYMM-GJZGRUSLSA-N 2 2 387.387 3.678 20 0 GHADLP COc1cccc(Oc2ncccc2C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422781414 847820957 /nfs/dbraw/zinc/82/09/57/847820957.db2.gz KLYRSGKCDAFKRU-VGSWGCGISA-N 2 2 377.488 3.931 20 0 GHADLP COc1ccc([C@H](NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422899524 847877932 /nfs/dbraw/zinc/87/79/32/847877932.db2.gz HNNVURHNAUTIQK-UNMCSNQZSA-N 2 2 380.467 3.603 20 0 GHADLP COc1cccc(Oc2ccc(C[NH2+][C@@H](Cc3ccccc3)[C@@H](C)[NH3+])cn2)c1 ZINC000422893511 847888123 /nfs/dbraw/zinc/88/81/23/847888123.db2.gz ACAFEEQXXDYRQC-VGSWGCGISA-N 2 2 377.488 3.931 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000422943091 847901052 /nfs/dbraw/zinc/90/10/52/847901052.db2.gz KBORNKDNXNOGIF-CDHQVMDDSA-N 2 2 389.337 3.895 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000423040897 847952400 /nfs/dbraw/zinc/95/24/00/847952400.db2.gz VGPHFLAMLQWAKE-KCPJHIHWSA-N 2 2 395.263 3.799 20 0 GHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000423050364 847953529 /nfs/dbraw/zinc/95/35/29/847953529.db2.gz LRHPLVQQDHXHDH-XYPHTWIQSA-N 2 2 375.513 3.683 20 0 GHADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423066703 847959673 /nfs/dbraw/zinc/95/96/73/847959673.db2.gz FIUIZPODOWRVGL-GXTWGEPZSA-N 2 2 376.850 3.747 20 0 GHADLP COc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC(C)C ZINC000192356676 861927930 /nfs/dbraw/zinc/92/79/30/861927930.db2.gz ORBRPKNYDTVKNL-JOCHJYFZSA-N 2 2 398.547 3.863 20 0 GHADLP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC(C)C ZINC000192356676 861927940 /nfs/dbraw/zinc/92/79/40/861927940.db2.gz ORBRPKNYDTVKNL-JOCHJYFZSA-N 2 2 398.547 3.863 20 0 GHADLP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3Cc4cccc(Cl)c4C3)CC2)c1 ZINC001168745181 861932094 /nfs/dbraw/zinc/93/20/94/861932094.db2.gz SWCQOPXYAWQUHN-HXUWFJFHSA-N 2 2 398.934 3.848 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000192320161 861941111 /nfs/dbraw/zinc/94/11/11/861941111.db2.gz ZTUWFYQHSVRPSY-OAQYLSRUSA-N 2 2 397.567 3.532 20 0 GHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000192320161 861941121 /nfs/dbraw/zinc/94/11/21/861941121.db2.gz ZTUWFYQHSVRPSY-OAQYLSRUSA-N 2 2 397.567 3.532 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC000583053846 848964160 /nfs/dbraw/zinc/96/41/60/848964160.db2.gz YENVFBFGUQEETF-VQTJNVASSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC000583053846 848964164 /nfs/dbraw/zinc/96/41/64/848964164.db2.gz YENVFBFGUQEETF-VQTJNVASSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC000583053846 848964169 /nfs/dbraw/zinc/96/41/69/848964169.db2.gz YENVFBFGUQEETF-VQTJNVASSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC000583053846 848964173 /nfs/dbraw/zinc/96/41/73/848964173.db2.gz YENVFBFGUQEETF-VQTJNVASSA-N 2 2 382.479 3.566 20 0 GHADLP COCc1cc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)ccc1F ZINC000180129753 861969526 /nfs/dbraw/zinc/96/95/26/861969526.db2.gz JEXWLTCZRYMIRC-UHFFFAOYSA-N 2 2 391.918 3.667 20 0 GHADLP CCCN(CC[NH+]1CCCC1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000561194313 849114142 /nfs/dbraw/zinc/11/41/42/849114142.db2.gz ZRGPABXRYHEPBO-FQEVSTJZSA-N 2 2 386.584 3.828 20 0 GHADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[C@H]1c1ccccc1 ZINC000525638074 849114180 /nfs/dbraw/zinc/11/41/80/849114180.db2.gz RLWIGQWZGLEFEM-DENIHFKCSA-N 2 2 397.588 3.518 20 0 GHADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[C@H]1c1ccccc1 ZINC000525638074 849114189 /nfs/dbraw/zinc/11/41/89/849114189.db2.gz RLWIGQWZGLEFEM-DENIHFKCSA-N 2 2 397.588 3.518 20 0 GHADLP COc1ccc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1OC ZINC000155214966 849480345 /nfs/dbraw/zinc/48/03/45/849480345.db2.gz MCMLUYPJKIXRSQ-NQIIRXRSSA-N 2 2 383.536 3.532 20 0 GHADLP COc1ccc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1OC ZINC000155214966 849480350 /nfs/dbraw/zinc/48/03/50/849480350.db2.gz MCMLUYPJKIXRSQ-NQIIRXRSSA-N 2 2 383.536 3.532 20 0 GHADLP CC[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C(=O)OC)cc1 ZINC000583312743 849608170 /nfs/dbraw/zinc/60/81/70/849608170.db2.gz LQFKKZBEKPYGNC-WOJBJXKFSA-N 2 2 382.508 3.572 20 0 GHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000423112778 849758545 /nfs/dbraw/zinc/75/85/45/849758545.db2.gz XVXUSQNWRLVKPU-CCKFTAQKSA-N 2 2 386.458 3.530 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(Br)cc1F ZINC000423233826 849806428 /nfs/dbraw/zinc/80/64/28/849806428.db2.gz OXGCHQVGXUTSLX-GFCCVEGCSA-N 2 2 379.277 3.566 20 0 GHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2C)cc1 ZINC000423340759 849874097 /nfs/dbraw/zinc/87/40/97/849874097.db2.gz TVYWDPBMTZGYGA-JWNTYJGQSA-N 2 2 395.547 3.764 20 0 GHADLP COCCOc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000423368064 849889185 /nfs/dbraw/zinc/88/91/85/849889185.db2.gz MZBMVBAFDRQNQB-VQPPSCEASA-N 2 2 390.474 3.786 20 0 GHADLP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000583434248 849896237 /nfs/dbraw/zinc/89/62/37/849896237.db2.gz BRPQQXBGDDZGLU-REWPJTCUSA-N 2 2 380.532 3.953 20 0 GHADLP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000583434248 849896243 /nfs/dbraw/zinc/89/62/43/849896243.db2.gz BRPQQXBGDDZGLU-REWPJTCUSA-N 2 2 380.532 3.953 20 0 GHADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1F ZINC000127115200 849907341 /nfs/dbraw/zinc/90/73/41/849907341.db2.gz OSECMVPNSZXOOP-KGLIPLIRSA-N 2 2 385.321 3.740 20 0 GHADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000423405179 849910667 /nfs/dbraw/zinc/91/06/67/849910667.db2.gz ZQANQPDBSGGQPI-LRXVAGHRSA-N 2 2 386.561 3.526 20 0 GHADLP Cc1ccc([C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000423405181 849910878 /nfs/dbraw/zinc/91/08/78/849910878.db2.gz ZQANQPDBSGGQPI-ZWCUEREDSA-N 2 2 386.561 3.526 20 0 GHADLP COC[C@]1(C[NH2+][C@@H]2c3cc(Br)ccc3SC[C@@H]2C)CCC[NH2+]1 ZINC000423409472 849912384 /nfs/dbraw/zinc/91/23/84/849912384.db2.gz BRDRZEBQQIZBGM-AFAVFJNCSA-N 2 2 385.371 3.590 20 0 GHADLP Brc1cccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc2)c1 ZINC000423490003 849952372 /nfs/dbraw/zinc/95/23/72/849952372.db2.gz HEGBVAGSQVRRQB-OALUTQOASA-N 2 2 375.310 3.507 20 0 GHADLP O=C(CCCC[NH+]1CCCC1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732135126 862100158 /nfs/dbraw/zinc/10/01/58/862100158.db2.gz LNUQMKLCIXAWNN-IBGZPJMESA-N 2 2 395.950 3.826 20 0 GHADLP O=C(CCCC[NH+]1CCCC1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732135126 862100165 /nfs/dbraw/zinc/10/01/65/862100165.db2.gz LNUQMKLCIXAWNN-IBGZPJMESA-N 2 2 395.950 3.826 20 0 GHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1Br ZINC000481722965 862129579 /nfs/dbraw/zinc/12/95/79/862129579.db2.gz CFKYARDYEHCJNE-UZLBHIALSA-N 2 2 388.353 3.887 20 0 GHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1Br ZINC000481722965 862129584 /nfs/dbraw/zinc/12/95/84/862129584.db2.gz CFKYARDYEHCJNE-UZLBHIALSA-N 2 2 388.353 3.887 20 0 GHADLP FC(F)COc1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435433765 850491506 /nfs/dbraw/zinc/49/15/06/850491506.db2.gz PCQUEMDBNJDXEO-QGZVFWFLSA-N 2 2 393.503 3.931 20 0 GHADLP FC(F)COc1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435433765 850491510 /nfs/dbraw/zinc/49/15/10/850491510.db2.gz PCQUEMDBNJDXEO-QGZVFWFLSA-N 2 2 393.503 3.931 20 0 GHADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccc(C(F)(F)F)cc4)o3)CC2)C1 ZINC000668741216 850494452 /nfs/dbraw/zinc/49/44/52/850494452.db2.gz PGUHGVFMKASITR-GOSISDBHSA-N 2 2 394.437 3.996 20 0 GHADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-c4ccc(C(F)(F)F)cc4)o3)CC2)C1 ZINC000668741216 850494456 /nfs/dbraw/zinc/49/44/56/850494456.db2.gz PGUHGVFMKASITR-GOSISDBHSA-N 2 2 394.437 3.996 20 0 GHADLP CC(=O)N(c1nc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cs1)c1ccc(F)cc1 ZINC000414793525 850502396 /nfs/dbraw/zinc/50/23/96/850502396.db2.gz DNNSLDQYFFPLSE-KSSFIOAISA-N 2 2 376.501 3.574 20 0 GHADLP C[NH+](C)[C@H]1CCOc2c(NC(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)cccc21 ZINC000514933231 850502937 /nfs/dbraw/zinc/50/29/37/850502937.db2.gz SJZUBQFADZEADI-ICSRJNTNSA-N 2 2 390.487 3.956 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H](CC(F)(F)F)O1 ZINC000668768448 850621241 /nfs/dbraw/zinc/62/12/41/850621241.db2.gz PNLZDPWSFLQWIA-QFBILLFUSA-N 2 2 399.501 3.759 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H](CC(F)(F)F)O1 ZINC000668768448 850621249 /nfs/dbraw/zinc/62/12/49/850621249.db2.gz PNLZDPWSFLQWIA-QFBILLFUSA-N 2 2 399.501 3.759 20 0 GHADLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CCO1 ZINC000668784802 850765033 /nfs/dbraw/zinc/76/50/33/850765033.db2.gz ILASAAGGTDIOAO-OAQYLSRUSA-N 2 2 384.568 3.712 20 0 GHADLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CCO1 ZINC000668784802 850765040 /nfs/dbraw/zinc/76/50/40/850765040.db2.gz ILASAAGGTDIOAO-OAQYLSRUSA-N 2 2 384.568 3.712 20 0 GHADLP O=C(C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1ccc(F)cc1F ZINC000435695068 850774458 /nfs/dbraw/zinc/77/44/58/850774458.db2.gz PWFZISZASQOGPW-SFHVURJKSA-N 2 2 391.487 3.609 20 0 GHADLP O=C(C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1ccc(F)cc1F ZINC000435695068 850774467 /nfs/dbraw/zinc/77/44/67/850774467.db2.gz PWFZISZASQOGPW-SFHVURJKSA-N 2 2 391.487 3.609 20 0 GHADLP O=C(CC[N@@H+]1CCCCC[C@@H]1c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000519506494 851161607 /nfs/dbraw/zinc/16/16/07/851161607.db2.gz QDFNSZOBRQFIKN-JOCHJYFZSA-N 2 2 392.547 3.738 20 0 GHADLP O=C(CC[N@H+]1CCCCC[C@@H]1c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000519506494 851161618 /nfs/dbraw/zinc/16/16/18/851161618.db2.gz QDFNSZOBRQFIKN-JOCHJYFZSA-N 2 2 392.547 3.738 20 0 GHADLP CC[NH+](CC)Cc1c(Br)cccc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168374487 851411666 /nfs/dbraw/zinc/41/16/66/851411666.db2.gz OMCZSCXWOVKEHG-OAHLLOKOSA-N 2 2 396.373 3.566 20 0 GHADLP CC[NH+](CC)Cc1c(Br)cccc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168374487 851411678 /nfs/dbraw/zinc/41/16/78/851411678.db2.gz OMCZSCXWOVKEHG-OAHLLOKOSA-N 2 2 396.373 3.566 20 0 GHADLP O=C1[C@@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCN1c1cccc(Cl)c1 ZINC000434670521 851462249 /nfs/dbraw/zinc/46/22/49/851462249.db2.gz QKTUAIOAPIHUKF-FQEVSTJZSA-N 2 2 398.938 3.858 20 0 GHADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241731 851579277 /nfs/dbraw/zinc/57/92/77/851579277.db2.gz IWIVTHJRDYXYFW-HNNXBMFYSA-N 2 2 398.378 3.931 20 0 GHADLP COCc1noc([C@@H](C)[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664836987 851875578 /nfs/dbraw/zinc/87/55/78/851875578.db2.gz YNDRXPPAZUTUIY-UTKZUKDTSA-N 2 2 398.551 3.900 20 0 GHADLP COCc1noc([C@@H](C)[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664836987 851875584 /nfs/dbraw/zinc/87/55/84/851875584.db2.gz YNDRXPPAZUTUIY-UTKZUKDTSA-N 2 2 398.551 3.900 20 0 GHADLP Cn1nc(C2CC2)nc1C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838933 851952021 /nfs/dbraw/zinc/95/20/21/851952021.db2.gz VRKBKMOIPISDJB-QFIPXVFZSA-N 2 2 393.579 3.815 20 0 GHADLP Cn1nc(C2CC2)nc1C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838933 851952025 /nfs/dbraw/zinc/95/20/25/851952025.db2.gz VRKBKMOIPISDJB-QFIPXVFZSA-N 2 2 393.579 3.815 20 0 GHADLP CC[N@H+](Cc1c(Cl)cnn1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000438114087 852041752 /nfs/dbraw/zinc/04/17/52/852041752.db2.gz MUZOJZNBEYNQNH-UHFFFAOYSA-N 2 2 390.963 3.786 20 0 GHADLP CC[N@@H+](Cc1c(Cl)cnn1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000438114087 852041758 /nfs/dbraw/zinc/04/17/58/852041758.db2.gz MUZOJZNBEYNQNH-UHFFFAOYSA-N 2 2 390.963 3.786 20 0 GHADLP CN(C(=O)c1cc(F)ccc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489148862 852067531 /nfs/dbraw/zinc/06/75/31/852067531.db2.gz QOJBJSYBGWBNAI-PMACEKPBSA-N 2 2 395.950 3.888 20 0 GHADLP CN(C(=O)c1cc(F)ccc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489148862 852067535 /nfs/dbraw/zinc/06/75/35/852067535.db2.gz QOJBJSYBGWBNAI-PMACEKPBSA-N 2 2 395.950 3.888 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C2CC2)cc1 ZINC000550238617 852080738 /nfs/dbraw/zinc/08/07/38/852080738.db2.gz LTNSSQGPJPMTGQ-DEOSSOPVSA-N 2 2 383.580 3.719 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C2CC2)cc1 ZINC000550238617 852080744 /nfs/dbraw/zinc/08/07/44/852080744.db2.gz LTNSSQGPJPMTGQ-DEOSSOPVSA-N 2 2 383.580 3.719 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)C2CC2)cc1 ZINC000550238617 852080751 /nfs/dbraw/zinc/08/07/51/852080751.db2.gz LTNSSQGPJPMTGQ-DEOSSOPVSA-N 2 2 383.580 3.719 20 0 GHADLP CC(C)c1ccc(CN(C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)C2CC2)cc1 ZINC000550238617 852080758 /nfs/dbraw/zinc/08/07/58/852080758.db2.gz LTNSSQGPJPMTGQ-DEOSSOPVSA-N 2 2 383.580 3.719 20 0 GHADLP CCOc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1OCC ZINC000425956533 852114952 /nfs/dbraw/zinc/11/49/52/852114952.db2.gz XMZGFMMGHRIXBO-DEOSSOPVSA-N 2 2 398.547 3.553 20 0 GHADLP CCOc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1OCC ZINC000425956533 852114958 /nfs/dbraw/zinc/11/49/58/852114958.db2.gz XMZGFMMGHRIXBO-DEOSSOPVSA-N 2 2 398.547 3.553 20 0 GHADLP CCOc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1OCC ZINC000425956533 852114960 /nfs/dbraw/zinc/11/49/60/852114960.db2.gz XMZGFMMGHRIXBO-DEOSSOPVSA-N 2 2 398.547 3.553 20 0 GHADLP CCOc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1OCC ZINC000425956533 852114963 /nfs/dbraw/zinc/11/49/63/852114963.db2.gz XMZGFMMGHRIXBO-DEOSSOPVSA-N 2 2 398.547 3.553 20 0 GHADLP Clc1cccc(-n2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)nn2)c1Cl ZINC000506894378 852318689 /nfs/dbraw/zinc/31/86/89/852318689.db2.gz WOPNNXPGOYSXNZ-UHFFFAOYSA-N 2 2 394.350 3.882 20 0 GHADLP CN(C(=O)/C=C/c1ccc(C(C)(C)C)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732558918 862355970 /nfs/dbraw/zinc/35/59/70/862355970.db2.gz DTKHHZMEJJQCBT-NJTIBFSMSA-N 2 2 383.580 3.624 20 0 GHADLP CN(C(=O)/C=C/c1ccc(C(C)(C)C)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732558918 862355985 /nfs/dbraw/zinc/35/59/85/862355985.db2.gz DTKHHZMEJJQCBT-NJTIBFSMSA-N 2 2 383.580 3.624 20 0 GHADLP CN(C(=O)CCc1ccc(Cl)c(Cl)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732558564 862356211 /nfs/dbraw/zinc/35/62/11/862356211.db2.gz BMSITXJSDHRINL-KRWDZBQOSA-N 2 2 398.378 3.553 20 0 GHADLP CN(C(=O)CCc1ccc(Cl)c(Cl)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732558564 862356229 /nfs/dbraw/zinc/35/62/29/862356229.db2.gz BMSITXJSDHRINL-KRWDZBQOSA-N 2 2 398.378 3.553 20 0 GHADLP CCc1ccc([C@@H](CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)[NH+](C)C)cc1 ZINC000604632870 862359843 /nfs/dbraw/zinc/35/98/43/862359843.db2.gz JBUIFUWNQFDXLB-JOCHJYFZSA-N 2 2 391.519 3.537 20 0 GHADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)[C@@H](C)C2 ZINC000490112040 852759499 /nfs/dbraw/zinc/75/94/99/852759499.db2.gz IGKVBWGADGCNEV-CYFREDJKSA-N 2 2 380.532 3.729 20 0 GHADLP Cc1ccc([C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c2ccccc2)cc1 ZINC000490145295 852790821 /nfs/dbraw/zinc/79/08/21/852790821.db2.gz SPEJXZFLVFDKKR-XZOQPEGZSA-N 2 2 379.548 3.617 20 0 GHADLP Cc1ccc([C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c2ccccc2)cc1 ZINC000490145295 852790827 /nfs/dbraw/zinc/79/08/27/852790827.db2.gz SPEJXZFLVFDKKR-XZOQPEGZSA-N 2 2 379.548 3.617 20 0 GHADLP Cc1noc(C2CCC([NH2+]CC3([NH2+][C@@H](C)c4ccccc4)CCOCC3)CC2)n1 ZINC000438827163 852928787 /nfs/dbraw/zinc/92/87/87/852928787.db2.gz REGMBMHSAUSZHW-RPCJCACASA-N 2 2 398.551 3.894 20 0 GHADLP CC[C@@H](C)[NH2+][C@H](CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)c1ccco1 ZINC000509573767 852980450 /nfs/dbraw/zinc/98/04/50/852980450.db2.gz YLQVGWILQOEISS-NVXWUHKLSA-N 2 2 388.512 3.571 20 0 GHADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000507663303 853163561 /nfs/dbraw/zinc/16/35/61/853163561.db2.gz AZNURQZFUVLMPA-CQSZACIVSA-N 2 2 394.350 3.728 20 0 GHADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000507663303 853163569 /nfs/dbraw/zinc/16/35/69/853163569.db2.gz AZNURQZFUVLMPA-CQSZACIVSA-N 2 2 394.350 3.728 20 0 GHADLP CN(c1ccccc1C[NH+]1CCN(Cc2cccs2)CC1)C1CC[NH+](C)CC1 ZINC000506059116 853203763 /nfs/dbraw/zinc/20/37/63/853203763.db2.gz DIQCCAYMMPBLOP-UHFFFAOYSA-N 2 2 398.620 3.596 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000490800646 853272482 /nfs/dbraw/zinc/27/24/82/853272482.db2.gz ULHGQUYLVVSAEJ-TZIWHRDSSA-N 2 2 388.515 3.821 20 0 GHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000490800646 853272490 /nfs/dbraw/zinc/27/24/90/853272490.db2.gz ULHGQUYLVVSAEJ-TZIWHRDSSA-N 2 2 388.515 3.821 20 0 GHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437647416 853360750 /nfs/dbraw/zinc/36/07/50/853360750.db2.gz CQJQYAKFRLUABX-QFIPXVFZSA-N 2 2 395.551 3.528 20 0 GHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437647416 853360760 /nfs/dbraw/zinc/36/07/60/853360760.db2.gz CQJQYAKFRLUABX-QFIPXVFZSA-N 2 2 395.551 3.528 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000440798451 853617728 /nfs/dbraw/zinc/61/77/28/853617728.db2.gz PPRYQZCONWICBD-DWLFOUALSA-N 2 2 397.567 3.661 20 0 GHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000440798451 853617729 /nfs/dbraw/zinc/61/77/29/853617729.db2.gz PPRYQZCONWICBD-DWLFOUALSA-N 2 2 397.567 3.661 20 0 GHADLP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000556045075 862484003 /nfs/dbraw/zinc/48/40/03/862484003.db2.gz RUUISRFRNWYUQP-SXLOBPIMSA-N 2 2 395.547 3.590 20 0 GHADLP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000556045075 862484010 /nfs/dbraw/zinc/48/40/10/862484010.db2.gz RUUISRFRNWYUQP-SXLOBPIMSA-N 2 2 395.547 3.590 20 0 GHADLP COc1cc2cc[nH+]c(N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3cnn(C)c3)c2cc1F ZINC000571034221 853698114 /nfs/dbraw/zinc/69/81/14/853698114.db2.gz QSGJZOYKPRPVCO-HRAATJIYSA-N 2 2 397.498 3.635 20 0 GHADLP CN(C(=O)Nc1ccc(Cl)nc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178929251 853838695 /nfs/dbraw/zinc/83/86/95/853838695.db2.gz APRFAGRLCJWGPH-ROUUACIJSA-N 2 2 393.963 3.536 20 0 GHADLP CN(C(=O)Nc1ccc(Cl)nc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178929251 853838703 /nfs/dbraw/zinc/83/87/03/853838703.db2.gz APRFAGRLCJWGPH-ROUUACIJSA-N 2 2 393.963 3.536 20 0 GHADLP CCCCCCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732780975 862508244 /nfs/dbraw/zinc/50/82/44/862508244.db2.gz NYABDLHMUJRQOR-HXUWFJFHSA-N 2 2 387.568 3.544 20 0 GHADLP CCCCCCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732780975 862508259 /nfs/dbraw/zinc/50/82/59/862508259.db2.gz NYABDLHMUJRQOR-HXUWFJFHSA-N 2 2 387.568 3.544 20 0 GHADLP C[NH+]1CCC(CNC(=O)C2(C(F)(F)F)CCCCC2)([NH+]2CCCCC2)CC1 ZINC000669252701 854113621 /nfs/dbraw/zinc/11/36/21/854113621.db2.gz OXJSYZYSJDUKLP-UHFFFAOYSA-N 2 2 389.506 3.566 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000164756482 854284564 /nfs/dbraw/zinc/28/45/64/854284564.db2.gz DKYGHWNNULBCHZ-CRAIPNDOSA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000164756482 854284569 /nfs/dbraw/zinc/28/45/69/854284569.db2.gz DKYGHWNNULBCHZ-CRAIPNDOSA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000164756482 854284577 /nfs/dbraw/zinc/28/45/77/854284577.db2.gz DKYGHWNNULBCHZ-CRAIPNDOSA-N 2 2 394.350 3.934 20 0 GHADLP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000164756482 854284582 /nfs/dbraw/zinc/28/45/82/854284582.db2.gz DKYGHWNNULBCHZ-CRAIPNDOSA-N 2 2 394.350 3.934 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156832753 854403238 /nfs/dbraw/zinc/40/32/38/854403238.db2.gz GWFUFZREKSFDIZ-LIRRHRJNSA-N 2 2 399.878 3.681 20 0 GHADLP CC(C)Sc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000482015285 862630941 /nfs/dbraw/zinc/63/09/41/862630941.db2.gz IWTXTALWAWRMJX-YLJYHZDGSA-N 2 2 377.598 3.780 20 0 GHADLP CC(C)Sc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000482015285 862630944 /nfs/dbraw/zinc/63/09/44/862630944.db2.gz IWTXTALWAWRMJX-YLJYHZDGSA-N 2 2 377.598 3.780 20 0 GHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590851753 855615453 /nfs/dbraw/zinc/61/54/53/855615453.db2.gz JUXJNEIRLLOEOB-SIKLNZKXSA-N 2 2 395.551 3.804 20 0 GHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590851753 855615459 /nfs/dbraw/zinc/61/54/59/855615459.db2.gz JUXJNEIRLLOEOB-SIKLNZKXSA-N 2 2 395.551 3.804 20 0 GHADLP C[NH+](C)CC1CC[NH+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000591080043 855750372 /nfs/dbraw/zinc/75/03/72/855750372.db2.gz GELWNDXLNZPILZ-UHFFFAOYSA-N 2 2 378.731 3.859 20 0 GHADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000591083227 855752772 /nfs/dbraw/zinc/75/27/72/855752772.db2.gz RSVHKSBFQVXJFP-XZOQPEGZSA-N 2 2 388.515 3.620 20 0 GHADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000591083227 855752774 /nfs/dbraw/zinc/75/27/74/855752774.db2.gz RSVHKSBFQVXJFP-XZOQPEGZSA-N 2 2 388.515 3.620 20 0 GHADLP O=C1[C@H]([N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCN1Cc1ccccc1 ZINC000760830387 855992244 /nfs/dbraw/zinc/99/22/44/855992244.db2.gz LQLOZFDAMGENIF-DHIUTWEWSA-N 2 2 383.580 3.766 20 0 GHADLP O=C1[C@H]([N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCN1Cc1ccccc1 ZINC000760830387 855992245 /nfs/dbraw/zinc/99/22/45/855992245.db2.gz LQLOZFDAMGENIF-DHIUTWEWSA-N 2 2 383.580 3.766 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000591456736 855997963 /nfs/dbraw/zinc/99/79/63/855997963.db2.gz STPDYSFBDQRJGW-MOPGFXCFSA-N 2 2 396.535 3.683 20 0 GHADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000591456736 855997970 /nfs/dbraw/zinc/99/79/70/855997970.db2.gz STPDYSFBDQRJGW-MOPGFXCFSA-N 2 2 396.535 3.683 20 0 GHADLP COc1cc(Br)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000542852447 856140151 /nfs/dbraw/zinc/14/01/51/856140151.db2.gz DELJGIAICXQXKI-KSSFIOAISA-N 2 2 379.342 3.906 20 0 GHADLP COc1cc(Br)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000542852447 856140154 /nfs/dbraw/zinc/14/01/54/856140154.db2.gz DELJGIAICXQXKI-KSSFIOAISA-N 2 2 379.342 3.906 20 0 GHADLP COc1cc(Br)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000542852447 856140158 /nfs/dbraw/zinc/14/01/58/856140158.db2.gz DELJGIAICXQXKI-KSSFIOAISA-N 2 2 379.342 3.906 20 0 GHADLP COc1cc(Br)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000542852447 856140165 /nfs/dbraw/zinc/14/01/65/856140165.db2.gz DELJGIAICXQXKI-KSSFIOAISA-N 2 2 379.342 3.906 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000591562447 856152008 /nfs/dbraw/zinc/15/20/08/856152008.db2.gz OJSFWQNLQDTMKA-OAQYLSRUSA-N 2 2 388.600 3.831 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000591562447 856152013 /nfs/dbraw/zinc/15/20/13/856152013.db2.gz OJSFWQNLQDTMKA-OAQYLSRUSA-N 2 2 388.600 3.831 20 0 GHADLP [NH3+][C@H]1CC[C@H](N(Cc2c(F)cncc2Br)c2cccc[nH+]2)CC1 ZINC000895114233 856206499 /nfs/dbraw/zinc/20/64/99/856206499.db2.gz JFZCFMXLWVNYRS-JOCQHMNTSA-N 2 2 379.277 3.655 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)CC[N@@H+]1C ZINC000280949059 862771224 /nfs/dbraw/zinc/77/12/24/862771224.db2.gz JMWWKCPXCOWYBJ-IXPVHAAZSA-N 2 2 395.263 3.574 20 0 GHADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)CC[N@H+]1C ZINC000280949059 862771228 /nfs/dbraw/zinc/77/12/28/862771228.db2.gz JMWWKCPXCOWYBJ-IXPVHAAZSA-N 2 2 395.263 3.574 20 0 GHADLP CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181154643 862775952 /nfs/dbraw/zinc/77/59/52/862775952.db2.gz LBSWMMNITQVJCC-UXHICEINSA-N 2 2 395.950 3.851 20 0 GHADLP CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181154643 862775954 /nfs/dbraw/zinc/77/59/54/862775954.db2.gz LBSWMMNITQVJCC-UXHICEINSA-N 2 2 395.950 3.851 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC3CCC(C(=O)OC(C)(C)C)CC3)[nH+]c2)C1 ZINC000507938903 856688680 /nfs/dbraw/zinc/68/86/80/856688680.db2.gz PJDWWVSYZQAESA-FAFZWHIHSA-N 2 2 388.556 3.534 20 0 GHADLP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(S(=O)(=O)C(C)C)cc3)C2)[nH+]1 ZINC000542914439 856772763 /nfs/dbraw/zinc/77/27/63/856772763.db2.gz AHHYCYDVCIJQCN-IBGZPJMESA-N 2 2 387.549 3.506 20 0 GHADLP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc(S(=O)(=O)C(C)C)cc3)C2)[nH+]1 ZINC000542914439 856772773 /nfs/dbraw/zinc/77/27/73/856772773.db2.gz AHHYCYDVCIJQCN-IBGZPJMESA-N 2 2 387.549 3.506 20 0 GHADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1C ZINC000665253237 857021845 /nfs/dbraw/zinc/02/18/45/857021845.db2.gz LIVSBZZDQXAIAE-SAWYMBPVSA-N 2 2 383.511 3.895 20 0 GHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000169245449 857023576 /nfs/dbraw/zinc/02/35/76/857023576.db2.gz VWSTYGDDYAHJJQ-OAQYLSRUSA-N 2 2 380.536 3.627 20 0 GHADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000675918227 857665185 /nfs/dbraw/zinc/66/51/85/857665185.db2.gz FJWQSWBRGBMNSL-CVDCTZTESA-N 3 2 392.547 3.995 20 0 GHADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(F)c4cccnc34)[nH+]c2)CC1 ZINC000676201991 857782098 /nfs/dbraw/zinc/78/20/98/857782098.db2.gz VAEODBGOBLZIBI-UHFFFAOYSA-N 2 2 379.483 3.911 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OCc1c(C)noc1C ZINC000067694036 858058879 /nfs/dbraw/zinc/05/88/79/858058879.db2.gz OCJCGPDGKHVUNY-WOJBJXKFSA-N 2 2 385.508 3.595 20 0 GHADLP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1OCc1c(C)noc1C ZINC000067694036 858058888 /nfs/dbraw/zinc/05/88/88/858058888.db2.gz OCJCGPDGKHVUNY-WOJBJXKFSA-N 2 2 385.508 3.595 20 0 GHADLP CS[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C1 ZINC000922160091 858165657 /nfs/dbraw/zinc/16/56/57/858165657.db2.gz UDXMUPZNRUKJQG-SFTDATJTSA-N 2 2 375.582 3.873 20 0 GHADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000594921424 858304910 /nfs/dbraw/zinc/30/49/10/858304910.db2.gz DHDUTGMHQPPIKX-PDIWNELESA-N 2 2 389.499 3.886 20 0 GHADLP C[C@@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C[C@@H]1n1cc[nH+]c1 ZINC000443067699 858335923 /nfs/dbraw/zinc/33/59/23/858335923.db2.gz UNDLBYLVDZOMFS-CNIHBODFSA-N 2 2 392.547 3.595 20 0 GHADLP C[C@@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C[C@@H]1n1cc[nH+]c1 ZINC000443067699 858335938 /nfs/dbraw/zinc/33/59/38/858335938.db2.gz UNDLBYLVDZOMFS-CNIHBODFSA-N 2 2 392.547 3.595 20 0 GHADLP C[NH+]1CCC(CCO)([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000575195692 858600641 /nfs/dbraw/zinc/60/06/41/858600641.db2.gz RQZBLHLNDOSGAB-UHFFFAOYSA-N 2 2 384.364 3.661 20 0 GHADLP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000181930531 863058306 /nfs/dbraw/zinc/05/83/06/863058306.db2.gz HHVRYJNFMOAQLK-FQEVSTJZSA-N 2 2 394.563 3.816 20 0 GHADLP CSc1ccccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183669550 858791986 /nfs/dbraw/zinc/79/19/86/858791986.db2.gz MDOAQWDFZWPXPI-PMACEKPBSA-N 2 2 389.609 3.818 20 0 GHADLP CSc1ccccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183669550 858791996 /nfs/dbraw/zinc/79/19/96/858791996.db2.gz MDOAQWDFZWPXPI-PMACEKPBSA-N 2 2 389.609 3.818 20 0 GHADLP COC(=O)C1(C)CCC([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)CC1 ZINC001168761684 858816282 /nfs/dbraw/zinc/81/62/82/858816282.db2.gz GUGJLDIFIPVDGJ-UHFFFAOYSA-N 2 2 376.516 3.810 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168020347 858816511 /nfs/dbraw/zinc/81/65/11/858816511.db2.gz MHWCUEPKZVACOJ-RMFSNUHRSA-N 2 2 381.520 3.790 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168020347 858816514 /nfs/dbraw/zinc/81/65/14/858816514.db2.gz MHWCUEPKZVACOJ-RMFSNUHRSA-N 2 2 381.520 3.790 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000482795455 858869641 /nfs/dbraw/zinc/86/96/41/858869641.db2.gz ZFLVHHYNXDMOIF-CXAGYDPISA-N 2 2 377.330 3.516 20 0 GHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000482795455 858869648 /nfs/dbraw/zinc/86/96/48/858869648.db2.gz ZFLVHHYNXDMOIF-CXAGYDPISA-N 2 2 377.330 3.516 20 0 GHADLP Cc1[nH+]ccn1CCCCNc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443524761 858892823 /nfs/dbraw/zinc/89/28/23/858892823.db2.gz VTTZCHHJSODPSQ-UHFFFAOYSA-N 2 2 377.261 3.956 20 0 GHADLP CC[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000648417438 859162159 /nfs/dbraw/zinc/16/21/59/859162159.db2.gz OCBOZFNIEDLCBH-ICSRJNTNSA-N 2 2 399.501 3.765 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)[C@H](C)C1 ZINC000483133946 859172058 /nfs/dbraw/zinc/17/20/58/859172058.db2.gz JXORRTSHPZYFLW-LGVFNWMJSA-N 3 2 387.612 3.939 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)[C@H](C)C1 ZINC000483133946 859172062 /nfs/dbraw/zinc/17/20/62/859172062.db2.gz JXORRTSHPZYFLW-LGVFNWMJSA-N 3 2 387.612 3.939 20 0 GHADLP CN(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472130 859283330 /nfs/dbraw/zinc/28/33/30/859283330.db2.gz DQYGVKJGYHCLDV-HXUWFJFHSA-N 2 2 396.579 3.706 20 0 GHADLP CN(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472130 859283346 /nfs/dbraw/zinc/28/33/46/859283346.db2.gz DQYGVKJGYHCLDV-HXUWFJFHSA-N 2 2 396.579 3.706 20 0 GHADLP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000194871912 859324193 /nfs/dbraw/zinc/32/41/93/859324193.db2.gz ATXLCYGLYQJVHE-QFIPXVFZSA-N 2 2 396.531 3.573 20 0 GHADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429423263 859337751 /nfs/dbraw/zinc/33/77/51/859337751.db2.gz ACESZAJMQFGWKD-DENIHFKCSA-N 2 2 396.531 3.617 20 0 GHADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429423263 859337760 /nfs/dbraw/zinc/33/77/60/859337760.db2.gz ACESZAJMQFGWKD-DENIHFKCSA-N 2 2 396.531 3.617 20 0 GHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000114023097 859452644 /nfs/dbraw/zinc/45/26/44/859452644.db2.gz RUPLLJMLKKOPDY-PMACEKPBSA-N 2 2 395.551 3.668 20 0 GHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000114023097 859452647 /nfs/dbraw/zinc/45/26/47/859452647.db2.gz RUPLLJMLKKOPDY-PMACEKPBSA-N 2 2 395.551 3.668 20 0 GHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000414890238 859465555 /nfs/dbraw/zinc/46/55/55/859465555.db2.gz HESPCFOETFVTDD-VJBWXMMDSA-N 2 2 384.495 3.619 20 0 GHADLP COc1cc(C)cc(OC)c1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001143143899 859541013 /nfs/dbraw/zinc/54/10/13/859541013.db2.gz BXHCMUYQZDDOGS-RTWAWAEBSA-N 2 2 380.532 3.966 20 0 GHADLP COc1cc(C)cc(OC)c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001143143899 859541019 /nfs/dbraw/zinc/54/10/19/859541019.db2.gz BXHCMUYQZDDOGS-RTWAWAEBSA-N 2 2 380.532 3.966 20 0 GHADLP COc1cc(C)cc(OC)c1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001143143899 859541026 /nfs/dbraw/zinc/54/10/26/859541026.db2.gz BXHCMUYQZDDOGS-RTWAWAEBSA-N 2 2 380.532 3.966 20 0 GHADLP COc1cc(C)cc(OC)c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001143143899 859541034 /nfs/dbraw/zinc/54/10/34/859541034.db2.gz BXHCMUYQZDDOGS-RTWAWAEBSA-N 2 2 380.532 3.966 20 0 GHADLP Clc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000532211364 881447022 /nfs/dbraw/zinc/44/70/22/881447022.db2.gz SPQNKBHQUQSJQB-JOCHJYFZSA-N 2 2 386.923 3.828 20 0 GHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3nc4c5c3cccc5C(=O)c3ccccc3-4)CC[C@H]21 ZINC000765104022 859789436 /nfs/dbraw/zinc/78/94/36/859789436.db2.gz DZHZOVSAINESKG-OXJNMPFZSA-N 2 2 386.499 3.621 20 0 GHADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3nc4c5c3cccc5C(=O)c3ccccc3-4)CC[C@H]21 ZINC000765104022 859789443 /nfs/dbraw/zinc/78/94/43/859789443.db2.gz DZHZOVSAINESKG-OXJNMPFZSA-N 2 2 386.499 3.621 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3nc4c5c3cccc5C(=O)c3ccccc3-4)CC[C@H]21 ZINC000765104022 859789448 /nfs/dbraw/zinc/78/94/48/859789448.db2.gz DZHZOVSAINESKG-OXJNMPFZSA-N 2 2 386.499 3.621 20 0 GHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3nc4c5c3cccc5C(=O)c3ccccc3-4)CC[C@H]21 ZINC000765104022 859789455 /nfs/dbraw/zinc/78/94/55/859789455.db2.gz DZHZOVSAINESKG-OXJNMPFZSA-N 2 2 386.499 3.621 20 0 GHADLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000484130068 859819395 /nfs/dbraw/zinc/81/93/95/859819395.db2.gz PGFRQNWTEFCUMD-DENIHFKCSA-N 2 2 390.474 3.966 20 0 GHADLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000484130068 859819402 /nfs/dbraw/zinc/81/94/02/859819402.db2.gz PGFRQNWTEFCUMD-DENIHFKCSA-N 2 2 390.474 3.966 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(F)c(F)c(F)c1 ZINC000484149220 859836045 /nfs/dbraw/zinc/83/60/45/859836045.db2.gz VWTDQGCQBZZTQE-JNAXZKDPSA-N 2 2 378.438 3.638 20 0 GHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(F)c(F)c(F)c1 ZINC000484149220 859836050 /nfs/dbraw/zinc/83/60/50/859836050.db2.gz VWTDQGCQBZZTQE-JNAXZKDPSA-N 2 2 378.438 3.638 20 0 GHADLP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1CO)CCC2 ZINC000484151043 859839348 /nfs/dbraw/zinc/83/93/48/859839348.db2.gz XGUOEVAFVLWPKB-GUDVDZBRSA-N 2 2 385.577 3.556 20 0 GHADLP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1CO)CCC2 ZINC000484151043 859839360 /nfs/dbraw/zinc/83/93/60/859839360.db2.gz XGUOEVAFVLWPKB-GUDVDZBRSA-N 2 2 385.577 3.556 20 0 GHADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)[NH+]2CCCC2)o1 ZINC000474317691 859845021 /nfs/dbraw/zinc/84/50/21/859845021.db2.gz XVNPABIKLPBHKC-SFTDATJTSA-N 2 2 399.510 3.645 20 0 GHADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)[NH+]2CCCC2)o1 ZINC000474317691 859845029 /nfs/dbraw/zinc/84/50/29/859845029.db2.gz XVNPABIKLPBHKC-SFTDATJTSA-N 2 2 399.510 3.645 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC000484175904 859848708 /nfs/dbraw/zinc/84/87/08/859848708.db2.gz SDJWHSFWAACEMJ-KSSFIOAISA-N 2 2 395.366 3.798 20 0 GHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC000484175904 859848720 /nfs/dbraw/zinc/84/87/20/859848720.db2.gz SDJWHSFWAACEMJ-KSSFIOAISA-N 2 2 395.366 3.798 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1OC(F)(F)F ZINC000484155022 859850616 /nfs/dbraw/zinc/85/06/16/859850616.db2.gz DNAIXSLFLUCUHE-UZLBHIALSA-N 2 2 394.437 3.873 20 0 GHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OC(F)(F)F ZINC000484155022 859850627 /nfs/dbraw/zinc/85/06/27/859850627.db2.gz DNAIXSLFLUCUHE-UZLBHIALSA-N 2 2 394.437 3.873 20 0 GHADLP Cc1ccc(-c2ccsc2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000602199294 859862525 /nfs/dbraw/zinc/86/25/25/859862525.db2.gz HRDOYZVLDPGRCA-SFHVURJKSA-N 2 2 383.561 3.622 20 0 GHADLP Cc1ccc(-c2ccsc2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000602199294 859862534 /nfs/dbraw/zinc/86/25/34/859862534.db2.gz HRDOYZVLDPGRCA-SFHVURJKSA-N 2 2 383.561 3.622 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1cccs1 ZINC000474338458 859867015 /nfs/dbraw/zinc/86/70/15/859867015.db2.gz RWDYXXHFMKGMCA-RTBURBONSA-N 2 2 389.540 3.661 20 0 GHADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1cccs1 ZINC000474338458 859867025 /nfs/dbraw/zinc/86/70/25/859867025.db2.gz RWDYXXHFMKGMCA-RTBURBONSA-N 2 2 389.540 3.661 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765306883 859903815 /nfs/dbraw/zinc/90/38/15/859903815.db2.gz LSICBKITWYVQTL-CQSZACIVSA-N 2 2 391.443 3.719 20 0 GHADLP CC1(C)[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1OCc1ccccc1 ZINC001170388026 881503791 /nfs/dbraw/zinc/50/37/91/881503791.db2.gz XRHOXRUZKHXGPL-DNQXCXABSA-N 2 2 394.559 3.992 20 0 GHADLP CN(C(=O)C(C)(C)CCCc1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602769330 860274980 /nfs/dbraw/zinc/27/49/80/860274980.db2.gz ZIAIEOICABSHQN-QFIPXVFZSA-N 2 2 385.596 3.662 20 0 GHADLP CN(C(=O)C(C)(C)CCCc1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602769330 860274986 /nfs/dbraw/zinc/27/49/86/860274986.db2.gz ZIAIEOICABSHQN-QFIPXVFZSA-N 2 2 385.596 3.662 20 0 GHADLP COc1ccc2c(c1)OCC[C@@H]2[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766189959 860454116 /nfs/dbraw/zinc/45/41/16/860454116.db2.gz VIECZNUTJIWKFZ-QFIPXVFZSA-N 2 2 381.520 3.843 20 0 GHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1-n1cccn1 ZINC000508991092 860456865 /nfs/dbraw/zinc/45/68/65/860456865.db2.gz LZOVOUKYZDJLCK-NRFANRHFSA-N 2 2 389.547 3.735 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@@H]3CC[C@H](C(F)(F)F)O3)CC2)cc1 ZINC000922677492 860465017 /nfs/dbraw/zinc/46/50/17/860465017.db2.gz PABAZIIPQYPFQY-RBUKOAKNSA-N 2 2 385.474 3.811 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](C)[C@@H]3CCC(C)(C)C3)n2)CC1 ZINC000428958423 860509821 /nfs/dbraw/zinc/50/98/21/860509821.db2.gz VDNQXXCBICBNPE-QGZVFWFLSA-N 2 2 378.586 3.824 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](C)[C@@H]3CCC(C)(C)C3)n2)CC1 ZINC000428958423 860509826 /nfs/dbraw/zinc/50/98/26/860509826.db2.gz VDNQXXCBICBNPE-QGZVFWFLSA-N 2 2 378.586 3.824 20 0 GHADLP Cc1ccc(C2CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)cn1 ZINC000509008661 860522445 /nfs/dbraw/zinc/52/24/45/860522445.db2.gz OJYJUMMNIDVYGU-UHFFFAOYSA-N 2 2 378.564 3.782 20 0 GHADLP CC(C)[N@@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)CC1CCC1 ZINC000428963530 860536615 /nfs/dbraw/zinc/53/66/15/860536615.db2.gz DCJXLMXDKLAFDV-UHFFFAOYSA-N 2 2 378.586 3.824 20 0 GHADLP CC(C)[N@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)CC1CCC1 ZINC000428963530 860536620 /nfs/dbraw/zinc/53/66/20/860536620.db2.gz DCJXLMXDKLAFDV-UHFFFAOYSA-N 2 2 378.586 3.824 20 0 GHADLP [NH3+]Cc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000904663736 860555248 /nfs/dbraw/zinc/55/52/48/860555248.db2.gz AEVIUUWMYTXWMJ-UHFFFAOYSA-N 2 2 392.425 3.514 20 0 GHADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168557236 860618279 /nfs/dbraw/zinc/61/82/79/860618279.db2.gz DUPNAKOWEQOPTO-CVEARBPZSA-N 2 2 393.494 3.733 20 0 GHADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168557236 860618281 /nfs/dbraw/zinc/61/82/81/860618281.db2.gz DUPNAKOWEQOPTO-CVEARBPZSA-N 2 2 393.494 3.733 20 0 GHADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnc(Cl)c(F)c3)C2)ccn1 ZINC000856605687 881583310 /nfs/dbraw/zinc/58/33/10/881583310.db2.gz DMFREBCHPQHNPQ-SFHVURJKSA-N 2 2 392.906 3.763 20 0 GHADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnc(Cl)c(F)c3)C2)ccn1 ZINC000856605687 881583320 /nfs/dbraw/zinc/58/33/20/881583320.db2.gz DMFREBCHPQHNPQ-SFHVURJKSA-N 2 2 392.906 3.763 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cnc(Cl)c(F)c3)C2)ccn1 ZINC000856605687 881583330 /nfs/dbraw/zinc/58/33/30/881583330.db2.gz DMFREBCHPQHNPQ-SFHVURJKSA-N 2 2 392.906 3.763 20 0 GHADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cnc(Cl)c(F)c3)C2)ccn1 ZINC000856605687 881583348 /nfs/dbraw/zinc/58/33/48/881583348.db2.gz DMFREBCHPQHNPQ-SFHVURJKSA-N 2 2 392.906 3.763 20 0 GHADLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)cc2)C1 ZINC000673640373 860830159 /nfs/dbraw/zinc/83/01/59/860830159.db2.gz DLWWPFGTBLVDOW-CVDCTZTESA-N 2 2 392.547 3.917 20 0 GHADLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)cc2)C1 ZINC000673640373 860830160 /nfs/dbraw/zinc/83/01/60/860830160.db2.gz DLWWPFGTBLVDOW-CVDCTZTESA-N 2 2 392.547 3.917 20 0 GHADLP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)cc2)C1 ZINC000673640373 860830165 /nfs/dbraw/zinc/83/01/65/860830165.db2.gz DLWWPFGTBLVDOW-CVDCTZTESA-N 2 2 392.547 3.917 20 0 GHADLP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)cc2)C1 ZINC000673640373 860830169 /nfs/dbraw/zinc/83/01/69/860830169.db2.gz DLWWPFGTBLVDOW-CVDCTZTESA-N 2 2 392.547 3.917 20 0 GHADLP COc1ccc2oc([C@@H](C)[NH2+]Cc3cccnc3N3CC[NH+](C)CC3)c(C)c2c1 ZINC000481239919 860842082 /nfs/dbraw/zinc/84/20/82/860842082.db2.gz WUNDUGPGOOXYIU-QGZVFWFLSA-N 2 2 394.519 3.747 20 0 GHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063332004 860872785 /nfs/dbraw/zinc/87/27/85/860872785.db2.gz XEKROFVIUUGGGN-UHFFFAOYSA-N 2 2 399.583 3.526 20 0 GHADLP Fc1ccc(Oc2nc3ccccn3c2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000623360898 860921367 /nfs/dbraw/zinc/92/13/67/860921367.db2.gz DBLBCFPEZDUWME-ROUUACIJSA-N 2 2 380.467 3.982 20 0 GHADLP Fc1ccc(Oc2nc3ccccn3c2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000623360898 860921381 /nfs/dbraw/zinc/92/13/81/860921381.db2.gz DBLBCFPEZDUWME-ROUUACIJSA-N 2 2 380.467 3.982 20 0 GHADLP Cc1cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)ncc1Br ZINC000623435890 861065198 /nfs/dbraw/zinc/06/51/98/861065198.db2.gz VWJLXQBXLIOILS-SFHVURJKSA-N 2 2 385.309 3.960 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000600132495 861090394 /nfs/dbraw/zinc/09/03/94/861090394.db2.gz KSAGGGUOSORARW-SEJPIABJSA-N 2 2 379.504 3.544 20 0 GHADLP CCOC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000600132495 861090413 /nfs/dbraw/zinc/09/04/13/861090413.db2.gz KSAGGGUOSORARW-SEJPIABJSA-N 2 2 379.504 3.544 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000482466561 863176403 /nfs/dbraw/zinc/17/64/03/863176403.db2.gz FMVWFWSONWTVIC-QHCPKHFHSA-N 2 2 388.515 3.572 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000482466561 863176411 /nfs/dbraw/zinc/17/64/11/863176411.db2.gz FMVWFWSONWTVIC-QHCPKHFHSA-N 2 2 388.515 3.572 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000606581972 863730762 /nfs/dbraw/zinc/73/07/62/863730762.db2.gz YTBMWKVHVRKXDO-IHWFROFDSA-N 2 2 375.476 3.651 20 0 GHADLP O=C(Nc1ccc2[nH+]ccn2c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000606581972 863730771 /nfs/dbraw/zinc/73/07/71/863730771.db2.gz YTBMWKVHVRKXDO-IHWFROFDSA-N 2 2 375.476 3.651 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)N(Cc2ccco2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000159010313 864010097 /nfs/dbraw/zinc/01/00/97/864010097.db2.gz UFAAXGFSDRRRMA-RXVVDRJESA-N 2 2 378.476 3.592 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccco2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000159010313 864010110 /nfs/dbraw/zinc/01/01/10/864010110.db2.gz UFAAXGFSDRRRMA-RXVVDRJESA-N 2 2 378.476 3.592 20 0 GHADLP Cc1c[nH+]ccc1N1CC[NH+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168056939 864362981 /nfs/dbraw/zinc/36/29/81/864362981.db2.gz KFDDHTPQZLEEND-NHCUHLMSSA-N 3 2 378.564 3.954 20 0 GHADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H]1Oc1ccccc1 ZINC000480274431 864383973 /nfs/dbraw/zinc/38/39/73/864383973.db2.gz NTDKVAMYBCBPRS-KSEOMHKRSA-N 2 2 381.451 3.726 20 0 GHADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCCN(C(C)C)C1=O ZINC000192671543 864451371 /nfs/dbraw/zinc/45/13/71/864451371.db2.gz BEQSRURBRIZSFS-OAQYLSRUSA-N 2 2 398.551 3.574 20 0 GHADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCCN(C(C)C)C1=O ZINC000192671543 864451376 /nfs/dbraw/zinc/45/13/76/864451376.db2.gz BEQSRURBRIZSFS-OAQYLSRUSA-N 2 2 398.551 3.574 20 0 GHADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000165994688 864706738 /nfs/dbraw/zinc/70/67/38/864706738.db2.gz SSGIKDMCIOUUCG-NQIIRXRSSA-N 2 2 384.520 3.818 20 0 GHADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000165994688 864706744 /nfs/dbraw/zinc/70/67/44/864706744.db2.gz SSGIKDMCIOUUCG-NQIIRXRSSA-N 2 2 384.520 3.818 20 0 GHADLP C[C@H]([NH2+]Cc1occc1Br)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000735323312 864725356 /nfs/dbraw/zinc/72/53/56/864725356.db2.gz USFMUWXCVOTOBV-ZDUSSCGKSA-N 2 2 396.304 3.784 20 0 GHADLP COc1cccnc1N1CC[NH+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168064197 864974947 /nfs/dbraw/zinc/97/49/47/864974947.db2.gz OWRJFRFVHXAOLL-PMACEKPBSA-N 2 2 394.563 3.654 20 0 GHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCSc4ccc(F)cc43)cc2)CC1 ZINC000480619410 864981196 /nfs/dbraw/zinc/98/11/96/864981196.db2.gz ZYBOBYWKRDCALV-HXUWFJFHSA-N 2 2 399.535 3.540 20 0 GHADLP C[C@H]1CC([N@@H+]2CCCN(C(=O)c3ccco3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065289 865074810 /nfs/dbraw/zinc/07/48/10/865074810.db2.gz VKNBQAHKWGNNQU-PMACEKPBSA-N 2 2 395.547 3.869 20 0 GHADLP C[C@H]1CC([N@H+]2CCCN(C(=O)c3ccco3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065289 865074820 /nfs/dbraw/zinc/07/48/20/865074820.db2.gz VKNBQAHKWGNNQU-PMACEKPBSA-N 2 2 395.547 3.869 20 0 GHADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000480699762 865134731 /nfs/dbraw/zinc/13/47/31/865134731.db2.gz QNIINVRGYRKIQQ-CNNODRBYSA-N 2 2 392.609 3.790 20 0 GHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[NH+](C3CC3)CC2)n1 ZINC000301127269 865176003 /nfs/dbraw/zinc/17/60/03/865176003.db2.gz UXXYLVYVWGJAAO-UHFFFAOYSA-N 2 2 393.560 3.704 20 0 GHADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608407901 865290141 /nfs/dbraw/zinc/29/01/41/865290141.db2.gz KGWFTERZIVKXMC-CTNGQTDRSA-N 2 2 397.567 3.515 20 0 GHADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608407901 865290150 /nfs/dbraw/zinc/29/01/50/865290150.db2.gz KGWFTERZIVKXMC-CTNGQTDRSA-N 2 2 397.567 3.515 20 0 GHADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608410687 865342635 /nfs/dbraw/zinc/34/26/35/865342635.db2.gz BZGOTIZFLAXXRL-QUCCMNQESA-N 2 2 397.567 3.514 20 0 GHADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000608410687 865342649 /nfs/dbraw/zinc/34/26/49/865342649.db2.gz BZGOTIZFLAXXRL-QUCCMNQESA-N 2 2 397.567 3.514 20 0 GHADLP CC[N@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@H](C)c1cccc(O)c1 ZINC000494534700 881865818 /nfs/dbraw/zinc/86/58/18/881865818.db2.gz XZAOMEFNJQPZGH-WOJBJXKFSA-N 2 2 395.547 3.681 20 0 GHADLP CC[N@@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@H](C)c1cccc(O)c1 ZINC000494534700 881865836 /nfs/dbraw/zinc/86/58/36/881865836.db2.gz XZAOMEFNJQPZGH-WOJBJXKFSA-N 2 2 395.547 3.681 20 0 GHADLP CC[N@H+](CCOCC(F)(F)C(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000189482284 881880001 /nfs/dbraw/zinc/88/00/01/881880001.db2.gz HDIZSHOLXBTKEP-UHFFFAOYSA-N 2 2 377.426 3.537 20 0 GHADLP CC[N@@H+](CCOCC(F)(F)C(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000189482284 881880019 /nfs/dbraw/zinc/88/00/19/881880019.db2.gz HDIZSHOLXBTKEP-UHFFFAOYSA-N 2 2 377.426 3.537 20 0 GHADLP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000301875070 865580725 /nfs/dbraw/zinc/58/07/25/865580725.db2.gz MFGIWCDAQRYYPV-GOSISDBHSA-N 2 2 397.519 3.694 20 0 GHADLP C[NH+]1CCC(CNC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000608718848 865589427 /nfs/dbraw/zinc/58/94/27/865589427.db2.gz SNZKFRCEYHXRSK-NRFANRHFSA-N 2 2 398.595 3.729 20 0 GHADLP NC(=O)c1c[nH+]ccc1NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000302204833 865765287 /nfs/dbraw/zinc/76/52/87/865765287.db2.gz CRWDFSAVNWYOMI-UHFFFAOYSA-N 2 2 383.455 3.704 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([N@H+](CCn2cc[nH+]c2)Cc2ccccc2)C1 ZINC000766244472 865836190 /nfs/dbraw/zinc/83/61/90/865836190.db2.gz VRGFEIXFGIURAR-FQEVSTJZSA-N 2 2 384.524 3.785 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+](CCn2cc[nH+]c2)Cc2ccccc2)C1 ZINC000766244472 865836207 /nfs/dbraw/zinc/83/62/07/865836207.db2.gz VRGFEIXFGIURAR-FQEVSTJZSA-N 2 2 384.524 3.785 20 0 GHADLP CC[NH+]1CCN(C[C@@H](C)CNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000302691628 865878480 /nfs/dbraw/zinc/87/84/80/865878480.db2.gz VJXCGJYHOWKAAI-HNNXBMFYSA-N 2 2 380.458 3.939 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+][C@@H]3CCC[C@H](C)[C@@H]3C)n2)CC1 ZINC000481167212 865909364 /nfs/dbraw/zinc/90/93/64/865909364.db2.gz APDRTWOQBAOCAC-XYJFISCASA-N 2 2 378.586 3.728 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481196479 865985076 /nfs/dbraw/zinc/98/50/76/865985076.db2.gz ZIBYDGOURZEORM-ZFGGDYGUSA-N 2 2 393.575 3.924 20 0 GHADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481196479 865985084 /nfs/dbraw/zinc/98/50/84/865985084.db2.gz ZIBYDGOURZEORM-ZFGGDYGUSA-N 2 2 393.575 3.924 20 0 GHADLP Cc1cc2cc(NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)ccc2[nH]1 ZINC000176134690 866125380 /nfs/dbraw/zinc/12/53/80/866125380.db2.gz DDCHQTPDMXVVHL-UHFFFAOYSA-N 2 2 383.540 3.548 20 0 GHADLP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)Nc3cccc(C[NH+]4CCOCC4)c3)c2)C1 ZINC000857028391 881944788 /nfs/dbraw/zinc/94/47/88/881944788.db2.gz PXYNXOZWRDAJKO-JOCHJYFZSA-N 2 2 393.531 3.580 20 0 GHADLP C[N@H+]1CCC[C@@H](c2cccc(C(=O)Nc3cccc(C[NH+]4CCOCC4)c3)c2)C1 ZINC000857028391 881944804 /nfs/dbraw/zinc/94/48/04/881944804.db2.gz PXYNXOZWRDAJKO-JOCHJYFZSA-N 2 2 393.531 3.580 20 0 GHADLP COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)o1 ZINC000153354894 866379417 /nfs/dbraw/zinc/37/94/17/866379417.db2.gz FZBQQKWARDSMEF-KRWDZBQOSA-N 2 2 393.487 3.921 20 0 GHADLP COC(=O)c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)o1 ZINC000153354894 866379423 /nfs/dbraw/zinc/37/94/23/866379423.db2.gz FZBQQKWARDSMEF-KRWDZBQOSA-N 2 2 393.487 3.921 20 0 GHADLP CC(C)CCSCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359529 866646001 /nfs/dbraw/zinc/64/60/01/866646001.db2.gz KBXCAIUWMIKDAE-UXHICEINSA-N 2 2 383.646 3.561 20 0 GHADLP CC(C)CCSCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359529 866646004 /nfs/dbraw/zinc/64/60/04/866646004.db2.gz KBXCAIUWMIKDAE-UXHICEINSA-N 2 2 383.646 3.561 20 0 GHADLP CC(C)[NH+](CCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C(C)C ZINC000153606045 866980708 /nfs/dbraw/zinc/98/07/08/866980708.db2.gz BTQDQTHMIAOXMQ-FCHUYYIVSA-N 2 2 397.567 3.920 20 0 GHADLP C[C@@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[NH+]1CCC(C)CC1 ZINC000534599321 867109414 /nfs/dbraw/zinc/10/94/14/867109414.db2.gz ZGJAIDJBCZSIGH-SFHVURJKSA-N 2 2 393.535 3.844 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000154535550 867452358 /nfs/dbraw/zinc/45/23/58/867452358.db2.gz GOAGVCXRSJUXMJ-DOTOQJQBSA-N 2 2 392.594 3.501 20 0 GHADLP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(F)ccc1F ZINC000155159779 867775952 /nfs/dbraw/zinc/77/59/52/867775952.db2.gz QUZOJOGBGPOPQS-JOCHJYFZSA-N 2 2 390.474 3.917 20 0 GHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc2ccccc2o1 ZINC000155185447 867793389 /nfs/dbraw/zinc/79/33/89/867793389.db2.gz FKZMWUWZGWLSPC-SFHVURJKSA-N 2 2 380.488 3.995 20 0 GHADLP Cc1cc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c(C)c[nH+]1 ZINC000535036592 867958256 /nfs/dbraw/zinc/95/82/56/867958256.db2.gz WTZGPFLPGQSKMT-IBGZPJMESA-N 2 2 377.410 3.513 20 0 GHADLP C[NH+]1CCC(CNC(=O)CCC(C)(C)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000156562088 868400327 /nfs/dbraw/zinc/40/03/27/868400327.db2.gz BKZAOINNQHRWSN-UHFFFAOYSA-N 2 2 385.596 3.811 20 0 GHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000553916812 868459607 /nfs/dbraw/zinc/45/96/07/868459607.db2.gz COHVJCVRFSDBDZ-INIZCTEOSA-N 2 2 379.533 3.915 20 0 GHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000479796726 868504066 /nfs/dbraw/zinc/50/40/66/868504066.db2.gz ORUCQDCPUGTYOR-QHCPKHFHSA-N 2 2 395.547 3.600 20 0 GHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000479796726 868504070 /nfs/dbraw/zinc/50/40/70/868504070.db2.gz ORUCQDCPUGTYOR-QHCPKHFHSA-N 2 2 395.547 3.600 20 0 GHADLP Fc1ccc([C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c2cnn[nH]2)cc1 ZINC000671105692 868510669 /nfs/dbraw/zinc/51/06/69/868510669.db2.gz TXHGMKIGKMVIFQ-QFIPXVFZSA-N 2 2 379.483 3.535 20 0 GHADLP Fc1ccc([C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c2cn[nH]n2)cc1 ZINC000671105692 868510678 /nfs/dbraw/zinc/51/06/78/868510678.db2.gz TXHGMKIGKMVIFQ-QFIPXVFZSA-N 2 2 379.483 3.535 20 0 GHADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000157292092 868615424 /nfs/dbraw/zinc/61/54/24/868615424.db2.gz PKPDNMOHXRMKQH-BVYCBKJFSA-N 2 2 386.584 3.726 20 0 GHADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000157292092 868615428 /nfs/dbraw/zinc/61/54/28/868615428.db2.gz PKPDNMOHXRMKQH-BVYCBKJFSA-N 2 2 386.584 3.726 20 0 GHADLP Cc1cc(C[NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)ccc1-n1cncn1 ZINC000479878926 868646290 /nfs/dbraw/zinc/64/62/90/868646290.db2.gz FLQNDXZDYFCFEJ-HSZRJFAPSA-N 2 2 375.520 3.576 20 0 GHADLP Cc1cc(C[NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)ccc1-n1cncn1 ZINC000479878926 868646296 /nfs/dbraw/zinc/64/62/96/868646296.db2.gz FLQNDXZDYFCFEJ-HSZRJFAPSA-N 2 2 375.520 3.576 20 0 GHADLP COc1cccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[NH+](C)C)c1 ZINC000479864483 868660872 /nfs/dbraw/zinc/66/08/72/868660872.db2.gz ULABXXWRZPTUPK-IGKWTDBASA-N 2 2 381.564 3.798 20 0 GHADLP COc1cccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[NH+](C)C)c1 ZINC000479864483 868660874 /nfs/dbraw/zinc/66/08/74/868660874.db2.gz ULABXXWRZPTUPK-IGKWTDBASA-N 2 2 381.564 3.798 20 0 GHADLP COc1cccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N(C)C)c1 ZINC000479864483 868660877 /nfs/dbraw/zinc/66/08/77/868660877.db2.gz ULABXXWRZPTUPK-IGKWTDBASA-N 2 2 381.564 3.798 20 0 GHADLP COc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N(C)C)c1 ZINC000479864483 868660883 /nfs/dbraw/zinc/66/08/83/868660883.db2.gz ULABXXWRZPTUPK-IGKWTDBASA-N 2 2 381.564 3.798 20 0 GHADLP COc1cccc2cc([C@H](C)[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)oc21 ZINC000539496965 869248169 /nfs/dbraw/zinc/24/81/69/869248169.db2.gz WJJLXFUIDJJUQD-YYWHXJBOSA-N 2 2 394.515 3.975 20 0 GHADLP COc1cccc2cc([C@H](C)[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)oc21 ZINC000539496965 869248174 /nfs/dbraw/zinc/24/81/74/869248174.db2.gz WJJLXFUIDJJUQD-YYWHXJBOSA-N 2 2 394.515 3.975 20 0 GHADLP C[C@H]([NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000766325795 869331288 /nfs/dbraw/zinc/33/12/88/869331288.db2.gz OCFDMVBGIJTMHQ-MZLICYQSSA-N 2 2 390.531 3.812 20 0 GHADLP c1nc2c(s1)C[NH+](Cc1ccccc1C[N@@H+]1CCc3ncsc3C1)CC2 ZINC000446077082 869376944 /nfs/dbraw/zinc/37/69/44/869376944.db2.gz BEAOKGIVCJZNMA-UHFFFAOYSA-N 2 2 382.558 3.716 20 0 GHADLP c1nc2c(s1)C[NH+](Cc1ccccc1C[N@H+]1CCc3ncsc3C1)CC2 ZINC000446077082 869376957 /nfs/dbraw/zinc/37/69/57/869376957.db2.gz BEAOKGIVCJZNMA-UHFFFAOYSA-N 2 2 382.558 3.716 20 0 GHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc2c(c1)OCCCO2 ZINC000539688527 869600706 /nfs/dbraw/zinc/60/07/06/869600706.db2.gz GELFCLHOLHYUKT-QGZVFWFLSA-N 2 2 396.535 3.946 20 0 GHADLP COc1cccc(Cl)c1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000539823677 869852776 /nfs/dbraw/zinc/85/27/76/869852776.db2.gz NXUHGNVQLGNEBV-UHFFFAOYSA-N 3 2 394.003 3.977 20 0 GHADLP COc1cccc(Cl)c1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000539823677 869852787 /nfs/dbraw/zinc/85/27/87/869852787.db2.gz NXUHGNVQLGNEBV-UHFFFAOYSA-N 3 2 394.003 3.977 20 0 GHADLP O=C(CCCC[NH+]1CCCC1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000920763339 882366353 /nfs/dbraw/zinc/36/63/53/882366353.db2.gz SGOODKLGRCOXOV-LJQANCHMSA-N 2 2 395.950 3.998 20 0 GHADLP CCc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)[NH+](C)C)cc1 ZINC000248034725 870266215 /nfs/dbraw/zinc/26/62/15/870266215.db2.gz RHTMJXNZIIYKHS-FOVJLYNBSA-N 2 2 380.580 3.747 20 0 GHADLP CCc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)[NH+](C)C)cc1 ZINC000248034725 870266227 /nfs/dbraw/zinc/26/62/27/870266227.db2.gz RHTMJXNZIIYKHS-FOVJLYNBSA-N 2 2 380.580 3.747 20 0 GHADLP CC[C@H](OC1CCCC1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248386399 870354907 /nfs/dbraw/zinc/35/49/07/870354907.db2.gz MLIGIOUGGYPANS-VSKRKVRLSA-N 2 2 393.616 3.520 20 0 GHADLP CC[C@H](OC1CCCC1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248386399 870354919 /nfs/dbraw/zinc/35/49/19/870354919.db2.gz MLIGIOUGGYPANS-VSKRKVRLSA-N 2 2 393.616 3.520 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](CC(F)(F)F)c2ccccc2C)CC1 ZINC000462914489 870388341 /nfs/dbraw/zinc/38/83/41/870388341.db2.gz QSQHUCYIANBNMP-GOSISDBHSA-N 2 2 386.458 3.996 20 0 GHADLP CN(Cc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248429376 870410269 /nfs/dbraw/zinc/41/02/69/870410269.db2.gz TWYVDZRKXLNSBL-FGZHOGPDSA-N 2 2 386.584 3.507 20 0 GHADLP CN(Cc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248429376 870410288 /nfs/dbraw/zinc/41/02/88/870410288.db2.gz TWYVDZRKXLNSBL-FGZHOGPDSA-N 2 2 386.584 3.507 20 0 GHADLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc2c1OCCO2 ZINC000538733077 870469991 /nfs/dbraw/zinc/46/99/91/870469991.db2.gz PFKJYXSAIFHUHG-WIYYLYMNSA-N 2 2 396.531 3.951 20 0 GHADLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc2c1OCCO2 ZINC000538733077 870470001 /nfs/dbraw/zinc/47/00/01/870470001.db2.gz PFKJYXSAIFHUHG-WIYYLYMNSA-N 2 2 396.531 3.951 20 0 GHADLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc2c1OCCO2 ZINC000538733077 870470011 /nfs/dbraw/zinc/47/00/11/870470011.db2.gz PFKJYXSAIFHUHG-WIYYLYMNSA-N 2 2 396.531 3.951 20 0 GHADLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc2c1OCCO2 ZINC000538733077 870470040 /nfs/dbraw/zinc/47/00/40/870470040.db2.gz PFKJYXSAIFHUHG-WIYYLYMNSA-N 2 2 396.531 3.951 20 0 GHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000248769885 870628984 /nfs/dbraw/zinc/62/89/84/870628984.db2.gz AFQBRUJPOMYCNB-OALUTQOASA-N 2 2 381.358 3.991 20 0 GHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000248769885 870628989 /nfs/dbraw/zinc/62/89/89/870628989.db2.gz AFQBRUJPOMYCNB-OALUTQOASA-N 2 2 381.358 3.991 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000060354893 882434722 /nfs/dbraw/zinc/43/47/22/882434722.db2.gz UFBLWTIFMUVSMQ-NHCUHLMSSA-N 2 2 381.520 3.506 20 0 GHADLP Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000060354893 882434730 /nfs/dbraw/zinc/43/47/30/882434730.db2.gz UFBLWTIFMUVSMQ-NHCUHLMSSA-N 2 2 381.520 3.506 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000249409453 870823990 /nfs/dbraw/zinc/82/39/90/870823990.db2.gz DYAKDTFJCSSQHA-RXVVDRJESA-N 2 2 389.584 3.649 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000249409453 870823999 /nfs/dbraw/zinc/82/39/99/870823999.db2.gz DYAKDTFJCSSQHA-RXVVDRJESA-N 2 2 389.584 3.649 20 0 GHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccc(F)cc3Cl)CC2)C[C@H](C)O1 ZINC000540244805 870845634 /nfs/dbraw/zinc/84/56/34/870845634.db2.gz HMGHYYBKRGQGJD-IYBDPMFKSA-N 2 2 384.923 3.569 20 0 GHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccc(F)cc3Cl)CC2)C[C@H](C)O1 ZINC000540244805 870845656 /nfs/dbraw/zinc/84/56/56/870845656.db2.gz HMGHYYBKRGQGJD-IYBDPMFKSA-N 2 2 384.923 3.569 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168852861 870906275 /nfs/dbraw/zinc/90/62/75/870906275.db2.gz YDIIILOGYXYDFY-PKOBYXMFSA-N 2 2 377.573 3.725 20 0 GHADLP C[C@H]1C[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168852861 870906288 /nfs/dbraw/zinc/90/62/88/870906288.db2.gz YDIIILOGYXYDFY-PKOBYXMFSA-N 2 2 377.573 3.725 20 0 GHADLP C[C@H](C1CC1)[N@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CC1 ZINC000428468937 870969906 /nfs/dbraw/zinc/96/99/06/870969906.db2.gz HWGNMPHKAIINST-OAHLLOKOSA-N 2 2 376.570 3.576 20 0 GHADLP C[C@H](C1CC1)[N@@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CC1 ZINC000428468937 870969926 /nfs/dbraw/zinc/96/99/26/870969926.db2.gz HWGNMPHKAIINST-OAHLLOKOSA-N 2 2 376.570 3.576 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(N3CCCCC3)CCOCC2)cc1 ZINC000089594502 870998319 /nfs/dbraw/zinc/99/83/19/870998319.db2.gz ZGRRRPSZPFDKEI-IBGZPJMESA-N 2 2 382.552 3.866 20 0 GHADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(-c2ccccc2)c2cc(Cl)ccc2n1 ZINC001169070756 871158420 /nfs/dbraw/zinc/15/84/20/871158420.db2.gz ADOAGEHBRLXRQQ-MRXNPFEDSA-N 2 2 378.863 3.603 20 0 GHADLP CC(C)[NH+]1CCC(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000461897850 871184160 /nfs/dbraw/zinc/18/41/60/871184160.db2.gz YVQJFJLFMRQTLD-IBGZPJMESA-N 2 2 395.950 3.853 20 0 GHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191487720 882487083 /nfs/dbraw/zinc/48/70/83/882487083.db2.gz AFQBRUJPOMYCNB-RBUKOAKNSA-N 2 2 381.358 3.991 20 0 GHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191487720 882487092 /nfs/dbraw/zinc/48/70/92/882487092.db2.gz AFQBRUJPOMYCNB-RBUKOAKNSA-N 2 2 381.358 3.991 20 0 GHADLP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cc(N2CCCC2)[nH+]c(SC)n1 ZINC001169175746 871300486 /nfs/dbraw/zinc/30/04/86/871300486.db2.gz QUWPHNVWGPHEFP-UHFFFAOYSA-N 2 2 397.548 3.561 20 0 GHADLP C[C@H](c1ccc(F)cc1F)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539148481 871431787 /nfs/dbraw/zinc/43/17/87/871431787.db2.gz OLWRBUXEKFWQMJ-IXDOHACOSA-N 2 2 382.495 3.616 20 0 GHADLP C[C@H](c1ccc(F)cc1F)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539148481 871431796 /nfs/dbraw/zinc/43/17/96/871431796.db2.gz OLWRBUXEKFWQMJ-IXDOHACOSA-N 2 2 382.495 3.616 20 0 GHADLP CC[C@@H](C[N@H+](CC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC001169482321 871532460 /nfs/dbraw/zinc/53/24/60/871532460.db2.gz IYYCRZSSNLUBKS-NRFANRHFSA-N 2 2 394.563 3.636 20 0 GHADLP CC[C@@H](C[N@@H+](CC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC001169482321 871532477 /nfs/dbraw/zinc/53/24/77/871532477.db2.gz IYYCRZSSNLUBKS-NRFANRHFSA-N 2 2 394.563 3.636 20 0 GHADLP Cc1cc2[nH+]ccn2cc1N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169517590 871624004 /nfs/dbraw/zinc/62/40/04/871624004.db2.gz GXUSNYIRDRVHSJ-ICSRJNTNSA-N 2 2 378.476 3.514 20 0 GHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cccc(Cl)c3F)CC2)C[C@H](C)O1 ZINC000525972121 871779437 /nfs/dbraw/zinc/77/94/37/871779437.db2.gz BLPDYIMSAUZDKI-IYBDPMFKSA-N 2 2 384.923 3.569 20 0 GHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cccc(Cl)c3F)CC2)C[C@H](C)O1 ZINC000525972121 871779447 /nfs/dbraw/zinc/77/94/47/871779447.db2.gz BLPDYIMSAUZDKI-IYBDPMFKSA-N 2 2 384.923 3.569 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000447535282 871798827 /nfs/dbraw/zinc/79/88/27/871798827.db2.gz DZEXAXRNOJVJAT-PKTZIBPZSA-N 2 2 397.538 3.642 20 0 GHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000447535282 871798840 /nfs/dbraw/zinc/79/88/40/871798840.db2.gz DZEXAXRNOJVJAT-PKTZIBPZSA-N 2 2 397.538 3.642 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C2 ZINC000525997789 871839837 /nfs/dbraw/zinc/83/98/37/871839837.db2.gz NCHBDCKMKSJKBC-PMACEKPBSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)C2 ZINC000525997789 871839850 /nfs/dbraw/zinc/83/98/50/871839850.db2.gz NCHBDCKMKSJKBC-PMACEKPBSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)CC2 ZINC000525997789 871839871 /nfs/dbraw/zinc/83/98/71/871839871.db2.gz NCHBDCKMKSJKBC-PMACEKPBSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)CC2 ZINC000525997789 871839885 /nfs/dbraw/zinc/83/98/85/871839885.db2.gz NCHBDCKMKSJKBC-PMACEKPBSA-N 2 2 394.563 3.809 20 0 GHADLP COc1ccccc1[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509656843 872010848 /nfs/dbraw/zinc/01/08/48/872010848.db2.gz YMRMLYKMMABORL-OAQYLSRUSA-N 2 2 379.548 3.697 20 0 GHADLP COc1ccccc1[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509656843 872010865 /nfs/dbraw/zinc/01/08/65/872010865.db2.gz YMRMLYKMMABORL-OAQYLSRUSA-N 2 2 379.548 3.697 20 0 GHADLP CN(C(=O)c1sccc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000552114850 872041645 /nfs/dbraw/zinc/04/16/45/872041645.db2.gz ASGLZPQBDZFOOG-IRXDYDNUSA-N 2 2 383.989 3.811 20 0 GHADLP CN(C(=O)c1sccc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000552114850 872041668 /nfs/dbraw/zinc/04/16/68/872041668.db2.gz ASGLZPQBDZFOOG-IRXDYDNUSA-N 2 2 383.989 3.811 20 0 GHADLP CC(C)[C@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c2ccccc21 ZINC000447771546 872258849 /nfs/dbraw/zinc/25/88/49/872258849.db2.gz XSZQAMGQBPMFFJ-OAQYLSRUSA-N 2 2 398.595 3.906 20 0 GHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000122440734 882602033 /nfs/dbraw/zinc/60/20/33/882602033.db2.gz FAQUWXKQRVOQGO-IBGZPJMESA-N 2 2 392.613 3.793 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[N@@H+]1Cc1ccccc1 ZINC000182415860 872335569 /nfs/dbraw/zinc/33/55/69/872335569.db2.gz LZBCUUDVJNCJAG-PXNSSMCTSA-N 2 2 392.499 3.984 20 0 GHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[N@H+]1Cc1ccccc1 ZINC000182415860 872335584 /nfs/dbraw/zinc/33/55/84/872335584.db2.gz LZBCUUDVJNCJAG-PXNSSMCTSA-N 2 2 392.499 3.984 20 0 GHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[NH+]1Cc1ccccc1 ZINC000182415860 872335601 /nfs/dbraw/zinc/33/56/01/872335601.db2.gz LZBCUUDVJNCJAG-PXNSSMCTSA-N 2 2 392.499 3.984 20 0 GHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[NH+]1Cc1ccccc1 ZINC000182415860 872335620 /nfs/dbraw/zinc/33/56/20/872335620.db2.gz LZBCUUDVJNCJAG-PXNSSMCTSA-N 2 2 392.499 3.984 20 0 GHADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000478034164 872344075 /nfs/dbraw/zinc/34/40/75/872344075.db2.gz PNHQSTIKSYXKPV-UFYCRDLUSA-N 2 2 385.596 3.795 20 0 GHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000478034164 872344086 /nfs/dbraw/zinc/34/40/86/872344086.db2.gz PNHQSTIKSYXKPV-UFYCRDLUSA-N 2 2 385.596 3.795 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000478034164 872344107 /nfs/dbraw/zinc/34/41/07/872344107.db2.gz PNHQSTIKSYXKPV-UFYCRDLUSA-N 2 2 385.596 3.795 20 0 GHADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000478034164 872344128 /nfs/dbraw/zinc/34/41/28/872344128.db2.gz PNHQSTIKSYXKPV-UFYCRDLUSA-N 2 2 385.596 3.795 20 0 GHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000526975582 872391180 /nfs/dbraw/zinc/39/11/80/872391180.db2.gz WKPCTWSZOYBQHE-HXUWFJFHSA-N 2 2 398.457 3.576 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000527002848 872404715 /nfs/dbraw/zinc/40/47/15/872404715.db2.gz BYWKAVUYKBQSCO-RLLQIKCJSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000527002848 872404719 /nfs/dbraw/zinc/40/47/19/872404719.db2.gz BYWKAVUYKBQSCO-RLLQIKCJSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000527002848 872404727 /nfs/dbraw/zinc/40/47/27/872404727.db2.gz BYWKAVUYKBQSCO-RLLQIKCJSA-N 2 2 394.563 3.665 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000527002848 872404734 /nfs/dbraw/zinc/40/47/34/872404734.db2.gz BYWKAVUYKBQSCO-RLLQIKCJSA-N 2 2 394.563 3.665 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)n2)CC1 ZINC001195508810 872457699 /nfs/dbraw/zinc/45/76/99/872457699.db2.gz LXYIOJCGJGCHQV-WMZOPIPTSA-N 2 2 376.570 3.578 20 0 GHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+]3CC[C@@H]4CCCC[C@@H]43)n2)CC1 ZINC001195508810 872457703 /nfs/dbraw/zinc/45/77/03/872457703.db2.gz LXYIOJCGJGCHQV-WMZOPIPTSA-N 2 2 376.570 3.578 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000767433510 872517693 /nfs/dbraw/zinc/51/76/93/872517693.db2.gz JGGRDVWWUIIRHE-XQBPLPMBSA-N 2 2 395.551 3.784 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000767433510 872517700 /nfs/dbraw/zinc/51/77/00/872517700.db2.gz JGGRDVWWUIIRHE-XQBPLPMBSA-N 2 2 395.551 3.784 20 0 GHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3cccc(-n4cccn4)c3)C2)CC1 ZINC000527241208 872856136 /nfs/dbraw/zinc/85/61/36/872856136.db2.gz ZBRLAOMYWMIQJT-UHFFFAOYSA-N 2 2 378.442 3.767 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000619741722 872947866 /nfs/dbraw/zinc/94/78/66/872947866.db2.gz WWEQRFQTHPGKJG-YWZLYKJASA-N 2 2 378.438 3.775 20 0 GHADLP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000619741722 872947874 /nfs/dbraw/zinc/94/78/74/872947874.db2.gz WWEQRFQTHPGKJG-YWZLYKJASA-N 2 2 378.438 3.775 20 0 GHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC(C)(C)C[NH+]2CCCC2)c(C)c1 ZINC000478409789 872959734 /nfs/dbraw/zinc/95/97/34/872959734.db2.gz GBRBMSGPDOARMO-OAQYLSRUSA-N 2 2 397.567 3.662 20 0 GHADLP Cc1ccc(SCCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460482679 882699967 /nfs/dbraw/zinc/69/99/67/882699967.db2.gz HQFWJHBPZYMUPS-UHFFFAOYSA-N 2 2 389.609 3.544 20 0 GHADLP CC(C)C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000460482601 882701489 /nfs/dbraw/zinc/70/14/89/882701489.db2.gz GUMLFKARJBMOPH-JOCHJYFZSA-N 2 2 385.596 3.883 20 0 GHADLP Cc1nn(C)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1Br ZINC000448345009 873270108 /nfs/dbraw/zinc/27/01/08/873270108.db2.gz PTVQQAAEHQDHSJ-OAHLLOKOSA-N 2 2 397.405 3.968 20 0 GHADLP Cc1nn(C)c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1Br ZINC000448345009 873270118 /nfs/dbraw/zinc/27/01/18/873270118.db2.gz PTVQQAAEHQDHSJ-OAHLLOKOSA-N 2 2 397.405 3.968 20 0 GHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000116215592 873363397 /nfs/dbraw/zinc/36/33/97/873363397.db2.gz RBXSKDQNEIJIRN-IBGZPJMESA-N 2 2 388.515 3.887 20 0 GHADLP C[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)Cn1cc[nH+]c1 ZINC000527650490 873403042 /nfs/dbraw/zinc/40/30/42/873403042.db2.gz ZUKPSNALNGKARM-LLVKDONJSA-N 2 2 380.315 3.523 20 0 GHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000541392379 873502855 /nfs/dbraw/zinc/50/28/55/873502855.db2.gz ILFABGDNBPIOCR-UHFFFAOYSA-N 2 2 384.487 3.540 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527843198 873666648 /nfs/dbraw/zinc/66/66/48/873666648.db2.gz BBPMINIYGHBQNR-IBGZPJMESA-N 2 2 390.531 3.770 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527888803 873718448 /nfs/dbraw/zinc/71/84/48/873718448.db2.gz VPNVNZXSZYPEGO-PGRDOPGGSA-N 2 2 390.531 3.505 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527888803 873718458 /nfs/dbraw/zinc/71/84/58/873718458.db2.gz VPNVNZXSZYPEGO-PGRDOPGGSA-N 2 2 390.531 3.505 20 0 GHADLP CC[C@@H](NC(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001197368165 873776299 /nfs/dbraw/zinc/77/62/99/873776299.db2.gz DTXNCHYKEGYILH-OXJNMPFZSA-N 2 2 386.927 3.513 20 0 GHADLP CC[C@@H](NC(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001197368165 873776301 /nfs/dbraw/zinc/77/63/01/873776301.db2.gz DTXNCHYKEGYILH-OXJNMPFZSA-N 2 2 386.927 3.513 20 0 GHADLP COc1ccc(CN2CC[C@H]2C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000527964415 873841120 /nfs/dbraw/zinc/84/11/20/873841120.db2.gz CDQVSYMZCDDNFJ-GCJKJVERSA-N 2 2 376.504 3.806 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](c3ccccc3)c3ccc(F)cn3)[nH+]c2)C1 ZINC000541568436 873876875 /nfs/dbraw/zinc/87/68/75/873876875.db2.gz RMQMWYQWUJIFDI-NFBKMPQASA-N 2 2 391.494 3.958 20 0 GHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CCC[C@@H]2c2nccs2)cc1 ZINC001198018944 874166071 /nfs/dbraw/zinc/16/60/71/874166071.db2.gz NUNJLGADHALMHU-LJQANCHMSA-N 2 2 386.565 3.504 20 0 GHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CCC[C@@H]2c2nccs2)cc1 ZINC001198018944 874166079 /nfs/dbraw/zinc/16/60/79/874166079.db2.gz NUNJLGADHALMHU-LJQANCHMSA-N 2 2 386.565 3.504 20 0 GHADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccccc2OCC[NH+](C)C)CC1 ZINC000449103964 874475660 /nfs/dbraw/zinc/47/56/60/874475660.db2.gz CQWIOEBXOXXQBF-NRFANRHFSA-N 3 2 395.591 3.812 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2Br)[C@H](C)C1 ZINC000449138422 874526378 /nfs/dbraw/zinc/52/63/78/874526378.db2.gz HXVHQLFETQEYGA-PBHICJAKSA-N 2 2 387.337 3.815 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2Br)[C@H](C)C1 ZINC000449138422 874526379 /nfs/dbraw/zinc/52/63/79/874526379.db2.gz HXVHQLFETQEYGA-PBHICJAKSA-N 2 2 387.337 3.815 20 0 GHADLP CC[N@@H+](CC(=O)Nc1ccc(C)c(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810268 874532024 /nfs/dbraw/zinc/53/20/24/874532024.db2.gz QEPCDZUSEGLDKH-UHFFFAOYSA-N 2 2 380.536 3.875 20 0 GHADLP CC[N@H+](CC(=O)Nc1ccc(C)c(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810268 874532029 /nfs/dbraw/zinc/53/20/29/874532029.db2.gz QEPCDZUSEGLDKH-UHFFFAOYSA-N 2 2 380.536 3.875 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H]3CCN(C4CCCCC4)C3=O)C2)s1 ZINC000528496982 874630579 /nfs/dbraw/zinc/63/05/79/874630579.db2.gz LKFONVRVXSXFJJ-GHTZIAJQSA-N 2 2 389.609 3.744 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H]3CCN(C4CCCCC4)C3=O)C2)s1 ZINC000528496982 874630584 /nfs/dbraw/zinc/63/05/84/874630584.db2.gz LKFONVRVXSXFJJ-GHTZIAJQSA-N 2 2 389.609 3.744 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H]3CCN(C4CCCCC4)C3=O)C2)s1 ZINC000528496982 874630588 /nfs/dbraw/zinc/63/05/88/874630588.db2.gz LKFONVRVXSXFJJ-GHTZIAJQSA-N 2 2 389.609 3.744 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H]3CCN(C4CCCCC4)C3=O)C2)s1 ZINC000528496982 874630593 /nfs/dbraw/zinc/63/05/93/874630593.db2.gz LKFONVRVXSXFJJ-GHTZIAJQSA-N 2 2 389.609 3.744 20 0 GHADLP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449331093 874714841 /nfs/dbraw/zinc/71/48/41/874714841.db2.gz XHQCPTUAWOLRMI-MRXNPFEDSA-N 2 2 379.426 3.607 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3cc(-n4ccnc4)cs3)CC2)c1 ZINC001199086360 874800395 /nfs/dbraw/zinc/80/03/95/874800395.db2.gz VBTGQDZSQMPUFJ-UHFFFAOYSA-N 2 2 395.576 3.544 20 0 GHADLP COc1cc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)c(-c2ccccc2)cc1OC ZINC000237440191 882864948 /nfs/dbraw/zinc/86/49/48/882864948.db2.gz GNDAZUDEKFSXMO-OAQYLSRUSA-N 2 2 398.547 3.817 20 0 GHADLP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)c(-c2ccccc2)cc1OC ZINC000237440191 882864958 /nfs/dbraw/zinc/86/49/58/882864958.db2.gz GNDAZUDEKFSXMO-OAQYLSRUSA-N 2 2 398.547 3.817 20 0 GHADLP Cc1occc1C[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001199197778 874847392 /nfs/dbraw/zinc/84/73/92/874847392.db2.gz JMUBXUYIRVELNR-UHFFFAOYSA-N 2 2 381.442 3.909 20 0 GHADLP COc1ccccc1N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000178232212 882877461 /nfs/dbraw/zinc/87/74/61/882877461.db2.gz HSKWDIQMUUETMD-KNQAVFIVSA-N 2 2 394.563 3.559 20 0 GHADLP COc1ccccc1N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000178232212 882877479 /nfs/dbraw/zinc/87/74/79/882877479.db2.gz HSKWDIQMUUETMD-KNQAVFIVSA-N 2 2 394.563 3.559 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)Cc3ccc(O)cc3)CC2)cc1 ZINC000449521264 874993822 /nfs/dbraw/zinc/99/38/22/874993822.db2.gz GFZQVJNSPDEOHS-QGZVFWFLSA-N 2 2 381.520 3.536 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)Cc3ccccc3F)CC2)cc1 ZINC000449527093 875005645 /nfs/dbraw/zinc/00/56/45/875005645.db2.gz ZJRDYJKIEWAKIK-KRWDZBQOSA-N 2 2 383.511 3.969 20 0 GHADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC001199743647 875161061 /nfs/dbraw/zinc/16/10/61/875161061.db2.gz ZKKWLHKVCPHUGP-GFCCVEGCSA-N 2 2 377.273 3.872 20 0 GHADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC001199743647 875161064 /nfs/dbraw/zinc/16/10/64/875161064.db2.gz ZKKWLHKVCPHUGP-GFCCVEGCSA-N 2 2 377.273 3.872 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccsc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000528895378 875232361 /nfs/dbraw/zinc/23/23/61/875232361.db2.gz NWPKACHLLWYHDJ-JSXRDJHFSA-N 2 2 389.609 3.647 20 0 GHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccsc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000528895378 875232368 /nfs/dbraw/zinc/23/23/68/875232368.db2.gz NWPKACHLLWYHDJ-JSXRDJHFSA-N 2 2 389.609 3.647 20 0 GHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccnc2Cl)CC1 ZINC000105464660 875300197 /nfs/dbraw/zinc/30/01/97/875300197.db2.gz GGHXYVJADGHWHZ-OAHLLOKOSA-N 2 2 376.907 3.867 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000771762175 875469146 /nfs/dbraw/zinc/46/91/46/875469146.db2.gz VVKFKMUUQCCPBE-RTWAWAEBSA-N 2 2 387.474 3.521 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000771762175 875469149 /nfs/dbraw/zinc/46/91/49/875469149.db2.gz VVKFKMUUQCCPBE-RTWAWAEBSA-N 2 2 387.474 3.521 20 0 GHADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(Br)c1 ZINC000776155802 875631030 /nfs/dbraw/zinc/63/10/30/875631030.db2.gz ISKNKXDHESPYEW-RHSMWYFYSA-N 2 2 397.357 3.752 20 0 GHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccccc3OCC(F)(F)F)[nH+]c2)C1 ZINC001201536631 875734526 /nfs/dbraw/zinc/73/45/26/875734526.db2.gz UEALOZSNZMZBJA-QGZVFWFLSA-N 2 2 394.441 3.775 20 0 GHADLP CN(C(=O)CCCC(=O)C(C)(C)C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450225926 876088275 /nfs/dbraw/zinc/08/82/75/876088275.db2.gz INVOICTVXRLZSI-VQTJNVASSA-N 2 2 393.616 3.568 20 0 GHADLP CN(C(=O)CCCC(=O)C(C)(C)C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450225926 876088284 /nfs/dbraw/zinc/08/82/84/876088284.db2.gz INVOICTVXRLZSI-VQTJNVASSA-N 2 2 393.616 3.568 20 0 GHADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001202397790 876199233 /nfs/dbraw/zinc/19/92/33/876199233.db2.gz XJYGZJJZHKQDAS-UHFFFAOYSA-N 2 2 383.540 3.832 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)CC2)cc1 ZINC000850160400 876705734 /nfs/dbraw/zinc/70/57/34/876705734.db2.gz TVTZXFMJAVIUSU-DEOSSOPVSA-N 2 2 395.547 3.679 20 0 GHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccccc2OC2CC2)[C@@H]1c1cnn(C)c1 ZINC000450793900 876898657 /nfs/dbraw/zinc/89/86/57/876898657.db2.gz QPFUBDXOVKVMKB-WMZHIEFXSA-N 2 2 382.552 3.866 20 0 GHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccccc2OC2CC2)[C@@H]1c1cnn(C)c1 ZINC000450793900 876898660 /nfs/dbraw/zinc/89/86/60/876898660.db2.gz QPFUBDXOVKVMKB-WMZHIEFXSA-N 2 2 382.552 3.866 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccccc2OC2CC2)[C@@H]1c1cnn(C)c1 ZINC000450793900 876898666 /nfs/dbraw/zinc/89/86/66/876898666.db2.gz QPFUBDXOVKVMKB-WMZHIEFXSA-N 2 2 382.552 3.866 20 0 GHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccccc2OC2CC2)[C@@H]1c1cnn(C)c1 ZINC000450793900 876898670 /nfs/dbraw/zinc/89/86/70/876898670.db2.gz QPFUBDXOVKVMKB-WMZHIEFXSA-N 2 2 382.552 3.866 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C2 ZINC000530291758 877454634 /nfs/dbraw/zinc/45/46/34/877454634.db2.gz KSISHUSGEDHCAR-CYFREDJKSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)C2 ZINC000530291758 877454642 /nfs/dbraw/zinc/45/46/42/877454642.db2.gz KSISHUSGEDHCAR-CYFREDJKSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)CC2 ZINC000530291758 877454647 /nfs/dbraw/zinc/45/46/47/877454647.db2.gz KSISHUSGEDHCAR-CYFREDJKSA-N 2 2 394.563 3.809 20 0 GHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)CC2 ZINC000530291758 877454650 /nfs/dbraw/zinc/45/46/50/877454650.db2.gz KSISHUSGEDHCAR-CYFREDJKSA-N 2 2 394.563 3.809 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000237570234 877590085 /nfs/dbraw/zinc/59/00/85/877590085.db2.gz XAGVPEYSXCZEPA-OAHLLOKOSA-N 2 2 378.923 3.854 20 0 GHADLP C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1cccc(OCC[NH+](C)C)c1 ZINC000530366179 877638425 /nfs/dbraw/zinc/63/84/25/877638425.db2.gz ZKQQNYHKZYWOBF-GUDVDZBRSA-N 2 2 398.551 3.809 20 0 GHADLP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000477470002 877693182 /nfs/dbraw/zinc/69/31/82/877693182.db2.gz KAIXTIBPHQWBBU-SFHVURJKSA-N 2 2 386.565 3.807 20 0 GHADLP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000477470002 877693191 /nfs/dbraw/zinc/69/31/91/877693191.db2.gz KAIXTIBPHQWBBU-SFHVURJKSA-N 2 2 386.565 3.807 20 0 GHADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000081568220 877971846 /nfs/dbraw/zinc/97/18/46/877971846.db2.gz MRPCNZAFFGOZLE-LJQANCHMSA-N 2 2 377.548 3.617 20 0 GHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000081568220 877971857 /nfs/dbraw/zinc/97/18/57/877971857.db2.gz MRPCNZAFFGOZLE-LJQANCHMSA-N 2 2 377.548 3.617 20 0 GHADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000081568220 877971874 /nfs/dbraw/zinc/97/18/74/877971874.db2.gz MRPCNZAFFGOZLE-LJQANCHMSA-N 2 2 377.548 3.617 20 0 GHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000081568220 877971880 /nfs/dbraw/zinc/97/18/80/877971880.db2.gz MRPCNZAFFGOZLE-LJQANCHMSA-N 2 2 377.548 3.617 20 0 GHADLP Cc1ccccc1[C@@H]1CC(=O)N(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000788383384 878047442 /nfs/dbraw/zinc/04/74/42/878047442.db2.gz XRSZFNVHTWOONM-HXUWFJFHSA-N 2 2 392.547 3.681 20 0 GHADLP CC[N@H+](CCC(=O)OCc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000776588080 878218290 /nfs/dbraw/zinc/21/82/90/878218290.db2.gz KFHHOOZRNIBHHO-UHFFFAOYSA-N 2 2 381.520 3.753 20 0 GHADLP CC[N@@H+](CCC(=O)OCc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000776588080 878218311 /nfs/dbraw/zinc/21/83/11/878218311.db2.gz KFHHOOZRNIBHHO-UHFFFAOYSA-N 2 2 381.520 3.753 20 0 GHADLP CN(C(=O)CCCc1ccccc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245620765 878223897 /nfs/dbraw/zinc/22/38/97/878223897.db2.gz AXVMJBINCBFNEZ-XZOQPEGZSA-N 2 2 385.596 3.805 20 0 GHADLP CN(C(=O)CCCc1ccccc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245620765 878223913 /nfs/dbraw/zinc/22/39/13/878223913.db2.gz AXVMJBINCBFNEZ-XZOQPEGZSA-N 2 2 385.596 3.805 20 0 GHADLP CN(C(=O)c1cccc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245688805 878389809 /nfs/dbraw/zinc/38/98/09/878389809.db2.gz JBXWIFZWOCIACS-VQTJNVASSA-N 2 2 377.960 3.749 20 0 GHADLP CN(C(=O)c1cccc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245688805 878389827 /nfs/dbraw/zinc/38/98/27/878389827.db2.gz JBXWIFZWOCIACS-VQTJNVASSA-N 2 2 377.960 3.749 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245698391 878418628 /nfs/dbraw/zinc/41/86/28/878418628.db2.gz RFCKRIAGLWQICB-LMMKCTJWSA-N 2 2 380.492 3.732 20 0 GHADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245698391 878418632 /nfs/dbraw/zinc/41/86/32/878418632.db2.gz RFCKRIAGLWQICB-LMMKCTJWSA-N 2 2 380.492 3.732 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@H](C)c1ccc(Cl)cc1 ZINC000285580234 912348043 /nfs/dbraw/zinc/34/80/43/912348043.db2.gz HEVWZLJXTGUORS-LITUSFTRSA-N 2 2 377.960 3.505 20 0 GHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@H](C)c1ccc(Cl)cc1 ZINC000285580234 912348057 /nfs/dbraw/zinc/34/80/57/912348057.db2.gz HEVWZLJXTGUORS-LITUSFTRSA-N 2 2 377.960 3.505 20 0 GHADLP CN(C(=O)c1ccc(F)c(F)c1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245757289 878550748 /nfs/dbraw/zinc/55/07/48/878550748.db2.gz YVNOKYVMSZUTJS-QZTJIDSGSA-N 2 2 397.485 3.513 20 0 GHADLP CN(C(=O)c1ccc(F)c(F)c1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245757289 878550756 /nfs/dbraw/zinc/55/07/56/878550756.db2.gz YVNOKYVMSZUTJS-QZTJIDSGSA-N 2 2 397.485 3.513 20 0 GHADLP C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000776641354 878753179 /nfs/dbraw/zinc/75/31/79/878753179.db2.gz QATAZDNPCVJVTO-XGICHPGQSA-N 2 2 376.460 3.669 20 0 GHADLP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000538101284 878810889 /nfs/dbraw/zinc/81/08/89/878810889.db2.gz ULIBMCBSPWOOND-RBUKOAKNSA-N 2 2 399.501 3.935 20 0 GHADLP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000538101284 878810904 /nfs/dbraw/zinc/81/09/04/878810904.db2.gz ULIBMCBSPWOOND-RBUKOAKNSA-N 2 2 399.501 3.935 20 0 GHADLP Cc1cccc(Oc2ccc(NC(=O)C[N@H+](C)CCCn3cc[nH+]c3)cc2)c1 ZINC000538118136 878840514 /nfs/dbraw/zinc/84/05/14/878840514.db2.gz USVYQLUUTOCVKL-UHFFFAOYSA-N 2 2 378.476 3.944 20 0 GHADLP Cc1cccc(Oc2ccc(NC(=O)C[N@@H+](C)CCCn3cc[nH+]c3)cc2)c1 ZINC000538118136 878840523 /nfs/dbraw/zinc/84/05/23/878840523.db2.gz USVYQLUUTOCVKL-UHFFFAOYSA-N 2 2 378.476 3.944 20 0 GHADLP Fc1ccc(COc2cccc(N3CC[NH+](CCCn4cc[nH+]c4)CC3)c2)cc1 ZINC000538349673 879331221 /nfs/dbraw/zinc/33/12/21/879331221.db2.gz HRFZYWZPZPAXPA-UHFFFAOYSA-N 2 2 394.494 3.814 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc2ccccc2c1 ZINC000246318484 879386221 /nfs/dbraw/zinc/38/62/21/879386221.db2.gz RKANIMWWIHUIRG-KGVIQGDOSA-N 2 2 376.504 3.797 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc2ccccc2c1 ZINC000246318484 879386228 /nfs/dbraw/zinc/38/62/28/879386228.db2.gz RKANIMWWIHUIRG-KGVIQGDOSA-N 2 2 376.504 3.797 20 0 GHADLP CCOc1cccc2cc([C@@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)oc21 ZINC000285808535 912451635 /nfs/dbraw/zinc/45/16/35/912451635.db2.gz WHFIBNLEGNKFLB-BPIHKTFHSA-N 2 2 399.535 3.566 20 0 GHADLP CCOc1cccc2cc([C@@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)oc21 ZINC000285808535 912451643 /nfs/dbraw/zinc/45/16/43/912451643.db2.gz WHFIBNLEGNKFLB-BPIHKTFHSA-N 2 2 399.535 3.566 20 0 GHADLP c1ccc2c(c1)CC[C@H]2CNc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000790055673 879434715 /nfs/dbraw/zinc/43/47/15/879434715.db2.gz QFNDVYOBPDQYDQ-SFHVURJKSA-N 2 2 376.504 3.580 20 0 GHADLP CN(C)c1ccc(NC(=O)CC[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000790120313 879488068 /nfs/dbraw/zinc/48/80/68/879488068.db2.gz FAGHXSFSMLQBKW-JOCHJYFZSA-N 2 2 380.536 3.508 20 0 GHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCc3ccccc3OC2)CCOCC1)c1ccccc1 ZINC000493870678 879685306 /nfs/dbraw/zinc/68/53/06/879685306.db2.gz FXYUGICEDADPDE-SIKLNZKXSA-N 2 2 380.532 3.870 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccnn3-c3ccccc3)CC2)cc1 ZINC000790473021 879745100 /nfs/dbraw/zinc/74/51/00/879745100.db2.gz LDWPWIRODSFBIA-UHFFFAOYSA-N 2 2 375.520 3.697 20 0 GHADLP C[N@H+](CCCn1c2ccccc2[nH]c1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000538616020 879820170 /nfs/dbraw/zinc/82/01/70/879820170.db2.gz UWUFWGIGCBKBBH-UHFFFAOYSA-N 2 2 378.520 3.728 20 0 GHADLP C[N@@H+](CCCn1c2ccccc2[nH]c1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000538616020 879820178 /nfs/dbraw/zinc/82/01/78/879820178.db2.gz UWUFWGIGCBKBBH-UHFFFAOYSA-N 2 2 378.520 3.728 20 0 GHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1Cl ZINC000246873925 879836374 /nfs/dbraw/zinc/83/63/74/879836374.db2.gz LOVYLIUOFWCJSE-SUNYJGFJSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1Cl ZINC000246873925 879836382 /nfs/dbraw/zinc/83/63/82/879836382.db2.gz LOVYLIUOFWCJSE-SUNYJGFJSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000246873925 879836401 /nfs/dbraw/zinc/83/64/01/879836401.db2.gz LOVYLIUOFWCJSE-SUNYJGFJSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000246873925 879836418 /nfs/dbraw/zinc/83/64/18/879836418.db2.gz LOVYLIUOFWCJSE-SUNYJGFJSA-N 2 2 384.351 3.587 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000184745370 879867235 /nfs/dbraw/zinc/86/72/35/879867235.db2.gz BGKYNVIDUXLOCZ-HZPDHXFCSA-N 2 2 387.474 3.650 20 0 GHADLP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246970771 879868579 /nfs/dbraw/zinc/86/85/79/879868579.db2.gz JDNMDDTWMYUIPS-XMSQKQJNSA-N 2 2 380.536 3.820 20 0 GHADLP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246970771 879868596 /nfs/dbraw/zinc/86/85/96/879868596.db2.gz JDNMDDTWMYUIPS-XMSQKQJNSA-N 2 2 380.536 3.820 20 0 GHADLP C[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000247073547 879909776 /nfs/dbraw/zinc/90/97/76/879909776.db2.gz OKELUYPXYOGQIR-DLBZAZTESA-N 2 2 377.960 3.655 20 0 GHADLP C[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000247073547 879909781 /nfs/dbraw/zinc/90/97/81/879909781.db2.gz OKELUYPXYOGQIR-DLBZAZTESA-N 2 2 377.960 3.655 20 0 GHADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247131672 879927233 /nfs/dbraw/zinc/92/72/33/879927233.db2.gz ZSWODFAONCSLRP-CEXWTWQISA-N 2 2 389.609 3.608 20 0 GHADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247131672 879927237 /nfs/dbraw/zinc/92/72/37/879927237.db2.gz ZSWODFAONCSLRP-CEXWTWQISA-N 2 2 389.609 3.608 20 0 GHADLP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247131672 879927240 /nfs/dbraw/zinc/92/72/40/879927240.db2.gz ZSWODFAONCSLRP-CEXWTWQISA-N 2 2 389.609 3.608 20 0 GHADLP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247131672 879927242 /nfs/dbraw/zinc/92/72/42/879927242.db2.gz ZSWODFAONCSLRP-CEXWTWQISA-N 2 2 389.609 3.608 20 0 GHADLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000152961616 879991742 /nfs/dbraw/zinc/99/17/42/879991742.db2.gz UYPDUVRJEYCASL-KRWDZBQOSA-N 2 2 377.960 3.868 20 0 GHADLP CCO[C@H](C)c1nc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cs1 ZINC000182965226 880045044 /nfs/dbraw/zinc/04/50/44/880045044.db2.gz OZCPMYHPDIOLFC-QGZVFWFLSA-N 2 2 381.586 3.565 20 0 GHADLP c1nnc(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1-c1ccccc1 ZINC000183128517 880060227 /nfs/dbraw/zinc/06/02/27/880060227.db2.gz GZLCHSWCKXWDNT-WWNPGLIZSA-N 2 2 387.531 3.658 20 0 GHADLP c1nnc(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1-c1ccccc1 ZINC000183128517 880060241 /nfs/dbraw/zinc/06/02/41/880060241.db2.gz GZLCHSWCKXWDNT-WWNPGLIZSA-N 2 2 387.531 3.658 20 0 GHADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000183608083 880126846 /nfs/dbraw/zinc/12/68/46/880126846.db2.gz IEJHUSCOEJGKIK-MSOLQXFVSA-N 2 2 392.503 3.524 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)CCOCC1)c1ccccc1 ZINC000183821350 880159974 /nfs/dbraw/zinc/15/99/74/880159974.db2.gz LYRROODLRVQNAU-ZWKOTPCHSA-N 2 2 376.541 3.596 20 0 GHADLP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000531692957 880349060 /nfs/dbraw/zinc/34/90/60/880349060.db2.gz IBVQGFNFPZOJMV-IBGZPJMESA-N 2 2 384.520 3.565 20 0 GHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000184752167 880373863 /nfs/dbraw/zinc/37/38/63/880373863.db2.gz FEYIBRIFYQVWPI-HOTGVXAUSA-N 2 2 387.474 3.650 20 0 GHADLP c1ccc2c(c1)COC21CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000643251129 912573440 /nfs/dbraw/zinc/57/34/40/912573440.db2.gz QZWFHDWGSQFJPR-UHFFFAOYSA-N 2 2 378.516 3.540 20 0 GHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ncc(-c2ccccc2)n1C ZINC000453167495 880568257 /nfs/dbraw/zinc/56/82/57/880568257.db2.gz CSPDKDYBQKCHSL-YLJYHZDGSA-N 2 2 390.535 3.796 20 0 GHADLP CCOC(=O)c1cnn(C2CC[NH+]([C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000453275150 880760129 /nfs/dbraw/zinc/76/01/29/880760129.db2.gz HFDXMHGUBRSBTL-KRWDZBQOSA-N 2 2 393.491 3.644 20 0 GHADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453330094 880764359 /nfs/dbraw/zinc/76/43/59/880764359.db2.gz RVJKRLNAGQGMRV-MHECFPHRSA-N 2 2 395.547 3.975 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 ZINC000429524793 880818792 /nfs/dbraw/zinc/81/87/92/880818792.db2.gz AZZYGEFDKJKWGP-UPVQGACJSA-N 2 2 391.559 3.577 20 0 GHADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 ZINC000429524793 880818808 /nfs/dbraw/zinc/81/88/08/880818808.db2.gz AZZYGEFDKJKWGP-UPVQGACJSA-N 2 2 391.559 3.577 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000792214869 881007078 /nfs/dbraw/zinc/00/70/78/881007078.db2.gz JEMHDFMTFPGQOH-SFHVURJKSA-N 2 2 384.524 3.917 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000792214869 881007090 /nfs/dbraw/zinc/00/70/90/881007090.db2.gz JEMHDFMTFPGQOH-SFHVURJKSA-N 2 2 384.524 3.917 20 0 GHADLP C[C@@]([NH3+])(C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000262979607 881177147 /nfs/dbraw/zinc/17/71/47/881177147.db2.gz YNSPVOPXHJQTEV-QFIPXVFZSA-N 2 2 392.528 3.514 20 0 GHADLP C[C@@]([NH3+])(C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000262979607 881177152 /nfs/dbraw/zinc/17/71/52/881177152.db2.gz YNSPVOPXHJQTEV-QFIPXVFZSA-N 2 2 392.528 3.514 20 0 GHADLP CC[C@@H]1C[C@@H]([N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001170224328 881263020 /nfs/dbraw/zinc/26/30/20/881263020.db2.gz VELQWHXGDBWUHQ-XUVXKRRUSA-N 2 2 379.495 3.572 20 0 GHADLP CC[C@@H]1C[C@@H]([N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001170224328 881263024 /nfs/dbraw/zinc/26/30/24/881263024.db2.gz VELQWHXGDBWUHQ-XUVXKRRUSA-N 2 2 379.495 3.572 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001170224328 881263038 /nfs/dbraw/zinc/26/30/38/881263038.db2.gz VELQWHXGDBWUHQ-XUVXKRRUSA-N 2 2 379.495 3.572 20 0 GHADLP CC[C@@H]1C[C@@H]([NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001170224328 881263046 /nfs/dbraw/zinc/26/30/46/881263046.db2.gz VELQWHXGDBWUHQ-XUVXKRRUSA-N 2 2 379.495 3.572 20 0 GHADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H](C)Cc3ccccc3Cl)CC2)C1 ZINC001170295893 881316968 /nfs/dbraw/zinc/31/69/68/881316968.db2.gz XDHRWQZVMJBXTN-SJLPKXTDSA-N 2 2 378.944 3.620 20 0 GHADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H](C)Cc3ccccc3Cl)CC2)C1 ZINC001170295893 881316984 /nfs/dbraw/zinc/31/69/84/881316984.db2.gz XDHRWQZVMJBXTN-SJLPKXTDSA-N 2 2 378.944 3.620 20 0 GHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c2ccccc21 ZINC000643466056 912715628 /nfs/dbraw/zinc/71/56/28/912715628.db2.gz ULFFNSDXECRCRJ-VHSSKADRSA-N 2 2 375.394 3.545 20 0 GHADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000136093012 883658424 /nfs/dbraw/zinc/65/84/24/883658424.db2.gz UMJAPJDXXPTKIB-WFASDCNBSA-N 2 2 398.841 3.660 20 0 GHADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000136093012 883658435 /nfs/dbraw/zinc/65/84/35/883658435.db2.gz UMJAPJDXXPTKIB-WFASDCNBSA-N 2 2 398.841 3.660 20 0 GHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C ZINC000729603133 883756723 /nfs/dbraw/zinc/75/67/23/883756723.db2.gz GPVFOTKUQWQMGQ-UYAOXDASSA-N 2 2 380.621 3.506 20 0 GHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C ZINC000729603133 883756737 /nfs/dbraw/zinc/75/67/37/883756737.db2.gz GPVFOTKUQWQMGQ-UYAOXDASSA-N 2 2 380.621 3.506 20 0 GHADLP C[C@@H](O)[C@@](C)(C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Cc1ccccc1 ZINC000188898007 883891396 /nfs/dbraw/zinc/89/13/96/883891396.db2.gz ZFTLLXUIJWVNSD-MYSJAJEPSA-N 2 2 381.564 3.511 20 0 GHADLP C[C@@H](O)[C@@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Cc1ccccc1 ZINC000188898007 883891407 /nfs/dbraw/zinc/89/14/07/883891407.db2.gz ZFTLLXUIJWVNSD-MYSJAJEPSA-N 2 2 381.564 3.511 20 0 GHADLP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)cc1Cl ZINC000476123036 884002280 /nfs/dbraw/zinc/00/22/80/884002280.db2.gz NFINACIODGHXNI-UHFFFAOYSA-N 2 2 377.960 3.637 20 0 GHADLP C[C@@H]([C@H](C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CCCCC1 ZINC000542530181 884311476 /nfs/dbraw/zinc/31/14/76/884311476.db2.gz CVSUGRJCHIWXMV-OALUTQOASA-N 2 2 387.568 3.652 20 0 GHADLP C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001170499696 884351921 /nfs/dbraw/zinc/35/19/21/884351921.db2.gz FNXRKFQQJGMXHG-LJQANCHMSA-N 2 2 399.966 3.883 20 0 GHADLP C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001170499696 884351934 /nfs/dbraw/zinc/35/19/34/884351934.db2.gz FNXRKFQQJGMXHG-LJQANCHMSA-N 2 2 399.966 3.883 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H](CO)c3ccc(Cl)cc3)CC2)cc1 ZINC000806179750 884460938 /nfs/dbraw/zinc/46/09/38/884460938.db2.gz GTAWWZHGHGZEPG-SFHVURJKSA-N 2 2 387.955 3.741 20 0 GHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000044958892 885028766 /nfs/dbraw/zinc/02/87/66/885028766.db2.gz BYZBWWKMNUPQKM-UHFFFAOYSA-N 2 2 376.504 3.703 20 0 GHADLP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000861346920 885419266 /nfs/dbraw/zinc/41/92/66/885419266.db2.gz DBVUXEMIFXJWQS-YPAWHYETSA-N 2 2 394.563 3.674 20 0 GHADLP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000861346920 885419275 /nfs/dbraw/zinc/41/92/75/885419275.db2.gz DBVUXEMIFXJWQS-YPAWHYETSA-N 2 2 394.563 3.674 20 0 GHADLP Cc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1Cl ZINC000072580843 886159661 /nfs/dbraw/zinc/15/96/61/886159661.db2.gz ALQVENRMUNAQOA-UHFFFAOYSA-N 2 2 378.948 3.720 20 0 GHADLP CC[NH+](CC)CC1CCN(C(=O)C[N@H+](CC)Cc2ccccc2Cl)CC1 ZINC000498933963 886168428 /nfs/dbraw/zinc/16/84/28/886168428.db2.gz OWOPXMKHRBOZKY-UHFFFAOYSA-N 2 2 379.976 3.742 20 0 GHADLP CC[NH+](CC)CC1CCN(C(=O)C[N@@H+](CC)Cc2ccccc2Cl)CC1 ZINC000498933963 886168432 /nfs/dbraw/zinc/16/84/32/886168432.db2.gz OWOPXMKHRBOZKY-UHFFFAOYSA-N 2 2 379.976 3.742 20 0 GHADLP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(=O)[nH]n1 ZINC000556871551 886427194 /nfs/dbraw/zinc/42/71/94/886427194.db2.gz UKDNFNIAUJORDF-QGZVFWFLSA-N 2 2 385.471 3.945 20 0 GHADLP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N[C@H](Cn3cc[nH+]c3)c3ccccc3)c2)C1 ZINC001184191239 913049819 /nfs/dbraw/zinc/04/98/19/913049819.db2.gz QEZQWAHCXYPTAY-DHIUTWEWSA-N 2 2 388.515 3.864 20 0 GHADLP C[N@H+]1CCC[C@@H](c2cccc(C(=O)N[C@H](Cn3cc[nH+]c3)c3ccccc3)c2)C1 ZINC001184191239 913049834 /nfs/dbraw/zinc/04/98/34/913049834.db2.gz QEZQWAHCXYPTAY-DHIUTWEWSA-N 2 2 388.515 3.864 20 0 GHADLP C[NH+](C)Cc1cnc(C[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)s1 ZINC000809550353 887565055 /nfs/dbraw/zinc/56/50/55/887565055.db2.gz RGHZUWHNMAGAIJ-UHFFFAOYSA-N 2 2 387.528 3.799 20 0 GHADLP C[NH+](C)Cc1cnc(C[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)s1 ZINC000809550353 887565066 /nfs/dbraw/zinc/56/50/66/887565066.db2.gz RGHZUWHNMAGAIJ-UHFFFAOYSA-N 2 2 387.528 3.799 20 0 GHADLP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000132365193 887649084 /nfs/dbraw/zinc/64/90/84/887649084.db2.gz QRTJJDBHRWATDD-KNQAVFIVSA-N 2 2 388.515 3.997 20 0 GHADLP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000132365193 887649096 /nfs/dbraw/zinc/64/90/96/887649096.db2.gz QRTJJDBHRWATDD-KNQAVFIVSA-N 2 2 388.515 3.997 20 0 GHADLP CCCCCOc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050802136 887711658 /nfs/dbraw/zinc/71/16/58/887711658.db2.gz DPGDYKWRJWLSLG-UHFFFAOYSA-N 2 2 387.568 3.544 20 0 GHADLP COc1ccccc1[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000062360581 887748574 /nfs/dbraw/zinc/74/85/74/887748574.db2.gz TUCXZYUVTBYQON-FYYLOGMGSA-N 2 2 395.547 3.641 20 0 GHADLP C[C@@H](c1ccccc1Cl)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051777833 887783200 /nfs/dbraw/zinc/78/32/00/887783200.db2.gz MBJYFVQEPSQBLN-INIZCTEOSA-N 2 2 392.975 3.601 20 0 GHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(Cl)c(F)c1 ZINC000536626600 887787447 /nfs/dbraw/zinc/78/74/47/887787447.db2.gz LRIYTPDKVBOUQE-OAHLLOKOSA-N 2 2 389.902 3.718 20 0 GHADLP CC(C)(C)[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000054397180 887964960 /nfs/dbraw/zinc/96/49/60/887964960.db2.gz ZJHPUUAKECBBFO-HSZRJFAPSA-N 2 2 395.547 3.834 20 0 GHADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000809952590 888019411 /nfs/dbraw/zinc/01/94/11/888019411.db2.gz BALWJPVEQCYDIN-QAQDUYKDSA-N 2 2 376.545 3.920 20 0 GHADLP CCc1cc2c(C[NH+]3CCC(Oc4cc[nH+]cc4C)CC3)cc(=O)oc2cc1O ZINC000809995782 888051607 /nfs/dbraw/zinc/05/16/07/888051607.db2.gz WLGVOHVVOZKZEW-UHFFFAOYSA-N 2 2 394.471 3.808 20 0 GHADLP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000729684856 888593863 /nfs/dbraw/zinc/59/38/63/888593863.db2.gz XZDXIZWBHIMEDG-PMACEKPBSA-N 2 2 394.544 3.554 20 0 GHADLP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000729684856 888593877 /nfs/dbraw/zinc/59/38/77/888593877.db2.gz XZDXIZWBHIMEDG-PMACEKPBSA-N 2 2 394.544 3.554 20 0 GHADLP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccnc(Cl)c3Cl)cc2)CC1 ZINC000811474050 889659516 /nfs/dbraw/zinc/65/95/16/889659516.db2.gz CYTZBZPGTOKHRA-UHFFFAOYSA-N 2 2 393.362 3.816 20 0 GHADLP CCc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)oc1CC ZINC000124674133 889720934 /nfs/dbraw/zinc/72/09/34/889720934.db2.gz JHBGGLJUTZVDGZ-PMACEKPBSA-N 2 2 389.584 3.814 20 0 GHADLP CCc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)oc1CC ZINC000124674133 889720939 /nfs/dbraw/zinc/72/09/39/889720939.db2.gz JHBGGLJUTZVDGZ-PMACEKPBSA-N 2 2 389.584 3.814 20 0 GHADLP CSc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124739360 889743600 /nfs/dbraw/zinc/74/36/00/889743600.db2.gz HKUCOXDKQUFMQB-SFTDATJTSA-N 2 2 389.609 3.818 20 0 GHADLP CSc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124739360 889743611 /nfs/dbraw/zinc/74/36/11/889743611.db2.gz HKUCOXDKQUFMQB-SFTDATJTSA-N 2 2 389.609 3.818 20 0 GHADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000124750971 889748620 /nfs/dbraw/zinc/74/86/20/889748620.db2.gz JHJNIRLDPIEOQY-OIBXWCBGSA-N 2 2 385.596 3.976 20 0 GHADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000124750971 889748624 /nfs/dbraw/zinc/74/86/24/889748624.db2.gz JHJNIRLDPIEOQY-OIBXWCBGSA-N 2 2 385.596 3.976 20 0 GHADLP Cc1[nH+]ccn1CCCN(C)C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000533341894 890327437 /nfs/dbraw/zinc/32/74/37/890327437.db2.gz NQEURTRBUCXCJX-UHFFFAOYSA-N 2 2 390.531 3.742 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C[N@@H+]1Cc1ccccc1 ZINC000533578632 890888875 /nfs/dbraw/zinc/88/88/75/890888875.db2.gz KODAOLXEOUVJBT-NRSPTQNISA-N 2 2 395.551 3.599 20 0 GHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C[N@H+]1Cc1ccccc1 ZINC000533578632 890888889 /nfs/dbraw/zinc/88/88/89/890888889.db2.gz KODAOLXEOUVJBT-NRSPTQNISA-N 2 2 395.551 3.599 20 0 GHADLP COc1ccc([C@H](O)C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000812774518 890950685 /nfs/dbraw/zinc/95/06/85/890950685.db2.gz QCUXWAFUJOFEEC-QHCPKHFHSA-N 2 2 377.488 3.827 20 0 GHADLP C[C@H]1C[C@H](NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000533665490 891075156 /nfs/dbraw/zinc/07/51/56/891075156.db2.gz QTHYSLADPKJUDR-SBOYYNGUSA-N 2 2 392.632 3.790 20 0 GHADLP C[C@H]1C[C@H](NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000533665490 891075158 /nfs/dbraw/zinc/07/51/58/891075158.db2.gz QTHYSLADPKJUDR-SBOYYNGUSA-N 2 2 392.632 3.790 20 0 GHADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170690673 891103402 /nfs/dbraw/zinc/10/34/02/891103402.db2.gz UIDCVJMPSPOUKP-KNQAVFIVSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170690673 891103408 /nfs/dbraw/zinc/10/34/08/891103408.db2.gz UIDCVJMPSPOUKP-KNQAVFIVSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170690673 891103416 /nfs/dbraw/zinc/10/34/16/891103416.db2.gz UIDCVJMPSPOUKP-KNQAVFIVSA-N 2 2 378.507 3.645 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170690673 891103424 /nfs/dbraw/zinc/10/34/24/891103424.db2.gz UIDCVJMPSPOUKP-KNQAVFIVSA-N 2 2 378.507 3.645 20 0 GHADLP Cc1ccsc1CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533672782 891111466 /nfs/dbraw/zinc/11/14/66/891111466.db2.gz UMYXVPGMUIDICK-OALUTQOASA-N 2 2 392.613 3.535 20 0 GHADLP Cc1ccsc1CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533672782 891111460 /nfs/dbraw/zinc/11/14/60/891111460.db2.gz UMYXVPGMUIDICK-OALUTQOASA-N 2 2 392.613 3.535 20 0 GHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000246415079 891231814 /nfs/dbraw/zinc/23/18/14/891231814.db2.gz MTLWDGPDFQAGPZ-HTAPYJJXSA-N 2 2 394.494 3.918 20 0 GHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000246415079 891231830 /nfs/dbraw/zinc/23/18/30/891231830.db2.gz MTLWDGPDFQAGPZ-HTAPYJJXSA-N 2 2 394.494 3.918 20 0 GHADLP CCO[C@H](C)c1nc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000246696491 891299076 /nfs/dbraw/zinc/29/90/76/891299076.db2.gz FNVUJWPRGZMYFF-YESZJQIVSA-N 2 2 381.586 3.562 20 0 GHADLP CCCCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246827701 891312886 /nfs/dbraw/zinc/31/28/86/891312886.db2.gz AGICWVAWRZNPJG-XXBNENTESA-N 2 2 394.563 3.612 20 0 GHADLP CCCCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246827701 891312906 /nfs/dbraw/zinc/31/29/06/891312906.db2.gz AGICWVAWRZNPJG-XXBNENTESA-N 2 2 394.563 3.612 20 0 GHADLP Fc1cc(F)c2c(c1)CC[C@H](N(c1cccc[nH+]1)[C@@H]1COC3(C1)CC[NH2+]CC3)C2 ZINC001170698177 891320815 /nfs/dbraw/zinc/32/08/15/891320815.db2.gz LRAVYHNTRNTLAM-OALUTQOASA-N 2 2 399.485 3.635 20 0 GHADLP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497473134 891652297 /nfs/dbraw/zinc/65/22/97/891652297.db2.gz PSPCEOKQXICZGP-FGZHOGPDSA-N 2 2 399.485 3.736 20 0 GHADLP C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497473134 891652309 /nfs/dbraw/zinc/65/23/09/891652309.db2.gz PSPCEOKQXICZGP-FGZHOGPDSA-N 2 2 399.485 3.736 20 0 GHADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@H+](C)CC2CCOCC2)c1=S ZINC000124681954 891840533 /nfs/dbraw/zinc/84/05/33/891840533.db2.gz UKBINGRSZIUBJR-QGZVFWFLSA-N 2 2 383.606 3.543 20 0 GHADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@@H+](C)CC2CCOCC2)c1=S ZINC000124681954 891840545 /nfs/dbraw/zinc/84/05/45/891840545.db2.gz UKBINGRSZIUBJR-QGZVFWFLSA-N 2 2 383.606 3.543 20 0 GHADLP CN(C(=O)/C=C/c1cccc(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124746721 891897906 /nfs/dbraw/zinc/89/79/06/891897906.db2.gz HPROIGDBHNFCKS-LVIAPQIJSA-N 2 2 387.543 3.635 20 0 GHADLP CN(C(=O)/C=C/c1cccc(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124746721 891897920 /nfs/dbraw/zinc/89/79/20/891897920.db2.gz HPROIGDBHNFCKS-LVIAPQIJSA-N 2 2 387.543 3.635 20 0 GHADLP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc(F)ccc1F ZINC000162020142 891978422 /nfs/dbraw/zinc/97/84/22/891978422.db2.gz CBJYITMTTDYOEN-OAQYLSRUSA-N 2 2 390.474 3.917 20 0 GHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000261648208 892057548 /nfs/dbraw/zinc/05/75/48/892057548.db2.gz ATVHVNRZKOXVFV-ZYHUDNBSSA-N 2 2 381.236 3.907 20 0 GHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000261648208 892057568 /nfs/dbraw/zinc/05/75/68/892057568.db2.gz ATVHVNRZKOXVFV-ZYHUDNBSSA-N 2 2 381.236 3.907 20 0 GHADLP CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[N@@H+]3CC[C@@](C)(C[NH3+])C3)ccc21 ZINC000261822837 892132272 /nfs/dbraw/zinc/13/22/72/892132272.db2.gz PNRLRGIFQCERRA-MWTRTKDXSA-N 2 2 378.520 3.812 20 0 GHADLP CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[N@H+]3CC[C@@](C)(C[NH3+])C3)ccc21 ZINC000261822837 892132281 /nfs/dbraw/zinc/13/22/81/892132281.db2.gz PNRLRGIFQCERRA-MWTRTKDXSA-N 2 2 378.520 3.812 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@H](C)C1 ZINC000876765773 893319056 /nfs/dbraw/zinc/31/90/56/893319056.db2.gz XKSZREMTESVQGD-WBVHZDCISA-N 2 2 394.560 3.597 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@H](C)C1 ZINC000876765773 893319075 /nfs/dbraw/zinc/31/90/75/893319075.db2.gz XKSZREMTESVQGD-WBVHZDCISA-N 2 2 394.560 3.597 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@H](C)C1 ZINC000876765773 893319097 /nfs/dbraw/zinc/31/90/97/893319097.db2.gz XKSZREMTESVQGD-WBVHZDCISA-N 2 2 394.560 3.597 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@H](C)C1 ZINC000876765773 893319119 /nfs/dbraw/zinc/31/91/19/893319119.db2.gz XKSZREMTESVQGD-WBVHZDCISA-N 2 2 394.560 3.597 20 0 GHADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000536665000 893481252 /nfs/dbraw/zinc/48/12/52/893481252.db2.gz MMFVAKXSGWGROU-SFHVURJKSA-N 2 2 378.582 3.567 20 0 GHADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000536665000 893481266 /nfs/dbraw/zinc/48/12/66/893481266.db2.gz MMFVAKXSGWGROU-SFHVURJKSA-N 2 2 378.582 3.567 20 0 GHADLP C[NH+](C)Cc1cnc(C[NH2+]C2(CNC(=O)OC(C)(C)C)CCCCC2)s1 ZINC000877701509 893772816 /nfs/dbraw/zinc/77/28/16/893772816.db2.gz YVPYLTZLGMYNOU-UHFFFAOYSA-N 2 2 382.574 3.522 20 0 GHADLP Fc1ccc([C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C2CC2)cc1 ZINC000536999013 894204804 /nfs/dbraw/zinc/20/48/04/894204804.db2.gz UHMXHUHOYGRSIK-QHCPKHFHSA-N 2 2 384.495 3.778 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000536999379 894205354 /nfs/dbraw/zinc/20/53/54/894205354.db2.gz LCLUNYJELUQQFB-RTBURBONSA-N 2 2 397.485 3.689 20 0 GHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000536999379 894205370 /nfs/dbraw/zinc/20/53/70/894205370.db2.gz LCLUNYJELUQQFB-RTBURBONSA-N 2 2 397.485 3.689 20 0 GHADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cc2c(cc1Br)OCCO2 ZINC000537077284 894301851 /nfs/dbraw/zinc/30/18/51/894301851.db2.gz LUOAQTARKLWHBX-UONOGXRCSA-N 2 2 383.330 3.745 20 0 GHADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cc2c(cc1Br)OCCO2 ZINC000537077284 894301867 /nfs/dbraw/zinc/30/18/67/894301867.db2.gz LUOAQTARKLWHBX-UONOGXRCSA-N 2 2 383.330 3.745 20 0 GHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(OC(F)F)c1 ZINC000537455941 895025957 /nfs/dbraw/zinc/02/59/57/895025957.db2.gz MNIOUCQQXURLJC-WMLDXEAASA-N 2 2 376.451 3.996 20 0 GHADLP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000817407391 895586247 /nfs/dbraw/zinc/58/62/47/895586247.db2.gz MLFVIIQNTKSSMT-FCHUYYIVSA-N 2 2 380.536 3.618 20 0 GHADLP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000817407391 895586254 /nfs/dbraw/zinc/58/62/54/895586254.db2.gz MLFVIIQNTKSSMT-FCHUYYIVSA-N 2 2 380.536 3.618 20 0 GHADLP CC[C@H]([NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)s1 ZINC000565627332 895769190 /nfs/dbraw/zinc/76/91/90/895769190.db2.gz QZZHLGANRMIZCE-CABCVRRESA-N 2 2 392.956 3.575 20 0 GHADLP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000565775280 895867867 /nfs/dbraw/zinc/86/78/67/895867867.db2.gz LQMIXPYMUWLXFB-GFCCVEGCSA-N 2 2 390.742 3.907 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000565773063 895867973 /nfs/dbraw/zinc/86/79/73/895867973.db2.gz HCNUDWRVEHSSLX-XVVDYKMHSA-N 2 2 389.902 3.677 20 0 GHADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000565773063 895867983 /nfs/dbraw/zinc/86/79/83/895867983.db2.gz HCNUDWRVEHSSLX-XVVDYKMHSA-N 2 2 389.902 3.677 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000566246183 896198373 /nfs/dbraw/zinc/19/83/73/896198373.db2.gz LYPFVNCFTOVNMX-LZNRXBQRSA-N 2 2 381.520 3.824 20 0 GHADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000566246183 896198383 /nfs/dbraw/zinc/19/83/83/896198383.db2.gz LYPFVNCFTOVNMX-LZNRXBQRSA-N 2 2 381.520 3.824 20 0 GHADLP Cc1cc(NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C)c[nH+]1 ZINC000566604269 896410787 /nfs/dbraw/zinc/41/07/87/896410787.db2.gz ZQDQXVYJKINOKK-UHFFFAOYSA-N 2 2 378.520 3.640 20 0 GHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819182635 896452461 /nfs/dbraw/zinc/45/24/61/896452461.db2.gz GDPNHTMLWLUKQC-VLIAUNLRSA-N 2 2 377.891 3.723 20 0 GHADLP CC[N@H+](Cc1ccc(-c2nc([C@H]3C[NH+]4CCCC[C@@H]4CO3)no2)cc1)C1CC1 ZINC000567320212 897058546 /nfs/dbraw/zinc/05/85/46/897058546.db2.gz RTTSXXVJEHXLLB-WOJBJXKFSA-N 2 2 382.508 3.647 20 0 GHADLP CC[N@@H+](Cc1ccc(-c2nc([C@H]3C[NH+]4CCCC[C@@H]4CO3)no2)cc1)C1CC1 ZINC000567320212 897058564 /nfs/dbraw/zinc/05/85/64/897058564.db2.gz RTTSXXVJEHXLLB-WOJBJXKFSA-N 2 2 382.508 3.647 20 0 GHADLP CC[NH+](Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1)C1CC1 ZINC000567320212 897058580 /nfs/dbraw/zinc/05/85/80/897058580.db2.gz RTTSXXVJEHXLLB-WOJBJXKFSA-N 2 2 382.508 3.647 20 0 GHADLP CC[NH+](Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1)C1CC1 ZINC000567320212 897058596 /nfs/dbraw/zinc/05/85/96/897058596.db2.gz RTTSXXVJEHXLLB-WOJBJXKFSA-N 2 2 382.508 3.647 20 0 GHADLP CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)sc2C1 ZINC000567494434 897201133 /nfs/dbraw/zinc/20/11/33/897201133.db2.gz FTXRXDKZKMQMOU-UHFFFAOYSA-N 2 2 395.532 3.797 20 0 GHADLP CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)sc2C1 ZINC000567494434 897201150 /nfs/dbraw/zinc/20/11/50/897201150.db2.gz FTXRXDKZKMQMOU-UHFFFAOYSA-N 2 2 395.532 3.797 20 0 GHADLP Cc1ccccc1[C@H](OC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)c1ccccc1 ZINC000568179265 897658673 /nfs/dbraw/zinc/65/86/73/897658673.db2.gz JDYRLGLNIBIWQV-ONTNHIFESA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccccc1[C@H](OC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2)c1ccccc1 ZINC000568179265 897658683 /nfs/dbraw/zinc/65/86/83/897658683.db2.gz JDYRLGLNIBIWQV-ONTNHIFESA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)c1ccccc1 ZINC000568179265 897658688 /nfs/dbraw/zinc/65/86/88/897658688.db2.gz JDYRLGLNIBIWQV-ONTNHIFESA-N 2 2 394.559 3.630 20 0 GHADLP Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)c1ccccc1 ZINC000568179265 897658694 /nfs/dbraw/zinc/65/86/94/897658694.db2.gz JDYRLGLNIBIWQV-ONTNHIFESA-N 2 2 394.559 3.630 20 0 GHADLP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000568545296 897925571 /nfs/dbraw/zinc/92/55/71/897925571.db2.gz GTOXBNXOTJGJBZ-SFTDATJTSA-N 2 2 381.520 3.634 20 0 GHADLP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000568545296 897925582 /nfs/dbraw/zinc/92/55/82/897925582.db2.gz GTOXBNXOTJGJBZ-SFTDATJTSA-N 2 2 381.520 3.634 20 0 GHADLP CN(C(=O)Nc1cc(C2CC2)ccn1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000568572008 897946335 /nfs/dbraw/zinc/94/63/35/897946335.db2.gz YOXWZFRKGPOECF-RTWAWAEBSA-N 2 2 399.583 3.760 20 0 GHADLP CN(C(=O)Nc1cc(C2CC2)ccn1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000568572008 897946342 /nfs/dbraw/zinc/94/63/42/897946342.db2.gz YOXWZFRKGPOECF-RTWAWAEBSA-N 2 2 399.583 3.760 20 0 GHADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000569358790 898571299 /nfs/dbraw/zinc/57/12/99/898571299.db2.gz LYTCDZZCJPZACQ-ACRUOGEOSA-N 2 2 387.474 3.613 20 0 GHADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000569358790 898571317 /nfs/dbraw/zinc/57/13/17/898571317.db2.gz LYTCDZZCJPZACQ-ACRUOGEOSA-N 2 2 387.474 3.613 20 0 GHADLP Cc1nc(-c2cccc(NC(=O)C[NH+]3CCC(n4cc[nH+]c4)CC3)c2)cs1 ZINC000109796324 898597353 /nfs/dbraw/zinc/59/73/53/898597353.db2.gz NEMDCVNULJPYRT-UHFFFAOYSA-N 2 2 381.505 3.591 20 0 GHADLP COc1cc(C[NH2+]CCCCNc2cccc[nH+]2)cc(OC)c1OCC(F)F ZINC000289706607 914307028 /nfs/dbraw/zinc/30/70/28/914307028.db2.gz KZUAFISESYBXOX-UHFFFAOYSA-N 2 2 395.450 3.725 20 0 GHADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)ccc1Br ZINC000331899876 899252129 /nfs/dbraw/zinc/25/21/29/899252129.db2.gz GPOPQNHXNMQSQG-ZDUSSCGKSA-N 2 2 391.313 3.687 20 0 GHADLP C[C@@H]([NH2+]Cc1ccnc(Cl)c1F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000823818460 899255283 /nfs/dbraw/zinc/25/52/83/899255283.db2.gz AYSHNYHFJFQWKL-CYBMUJFWSA-N 2 2 380.870 3.616 20 0 GHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1C)CCC2 ZINC000570390988 899298636 /nfs/dbraw/zinc/29/86/36/899298636.db2.gz RFVIYLSUVVIBGX-ICSRJNTNSA-N 2 2 385.552 3.704 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CCCC1)c1ccccc1 ZINC001136797508 899321440 /nfs/dbraw/zinc/32/14/40/899321440.db2.gz MUMTYXAJVDTDKA-UWJYYQICSA-N 2 2 395.551 3.570 20 0 GHADLP C[C@H]([NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CCCC1)c1ccccc1 ZINC001136797508 899321452 /nfs/dbraw/zinc/32/14/52/899321452.db2.gz MUMTYXAJVDTDKA-UWJYYQICSA-N 2 2 395.551 3.570 20 0 GHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)[C@@H](C)C1 ZINC000570631926 899456674 /nfs/dbraw/zinc/45/66/74/899456674.db2.gz WIGKDDNEPSVTGB-QTJGBDASSA-N 3 2 399.623 3.910 20 0 GHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)[C@@H](C)C1 ZINC000570631926 899456680 /nfs/dbraw/zinc/45/66/80/899456680.db2.gz WIGKDDNEPSVTGB-QTJGBDASSA-N 3 2 399.623 3.910 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@@H](C)C1 ZINC000570631926 899456686 /nfs/dbraw/zinc/45/66/86/899456686.db2.gz WIGKDDNEPSVTGB-QTJGBDASSA-N 3 2 399.623 3.910 20 0 GHADLP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@@H](C)C1 ZINC000570631926 899456690 /nfs/dbraw/zinc/45/66/90/899456690.db2.gz WIGKDDNEPSVTGB-QTJGBDASSA-N 3 2 399.623 3.910 20 0 GHADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000570646618 899468742 /nfs/dbraw/zinc/46/87/42/899468742.db2.gz IIAQXFNCALIYEJ-ACRUOGEOSA-N 2 2 378.520 3.586 20 0 GHADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000570646618 899468755 /nfs/dbraw/zinc/46/87/55/899468755.db2.gz IIAQXFNCALIYEJ-ACRUOGEOSA-N 2 2 378.520 3.586 20 0 GHADLP CC(C)c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000824347409 899544255 /nfs/dbraw/zinc/54/42/55/899544255.db2.gz AFTLAMQDSWBKDB-UHFFFAOYSA-N 2 2 390.535 3.744 20 0 GHADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@H]3CCc4c(Cl)cccc4C3)CC2)C1 ZINC001171057138 899616598 /nfs/dbraw/zinc/61/65/98/899616598.db2.gz UZKNSLAONQIXJH-HKUYNNGSSA-N 2 2 390.955 3.547 20 0 GHADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H]3CCc4c(Cl)cccc4C3)CC2)C1 ZINC001171057138 899616606 /nfs/dbraw/zinc/61/66/06/899616606.db2.gz UZKNSLAONQIXJH-HKUYNNGSSA-N 2 2 390.955 3.547 20 0 GHADLP CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000824477063 899621021 /nfs/dbraw/zinc/62/10/21/899621021.db2.gz AQLXOUYKIUJPKS-KBPBESRZSA-N 2 2 397.853 3.982 20 0 GHADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000571484126 899884030 /nfs/dbraw/zinc/88/40/30/899884030.db2.gz KVLBUNBDZGFFRZ-KRWDZBQOSA-N 2 2 387.553 3.758 20 0 GHADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000571484126 899884038 /nfs/dbraw/zinc/88/40/38/899884038.db2.gz KVLBUNBDZGFFRZ-KRWDZBQOSA-N 2 2 387.553 3.758 20 0 GHADLP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333025324 899901357 /nfs/dbraw/zinc/90/13/57/899901357.db2.gz KOBDUPBTBMUDJN-RTBURBONSA-N 2 2 394.563 3.973 20 0 GHADLP CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)sc2C1 ZINC000571552215 899911392 /nfs/dbraw/zinc/91/13/92/899911392.db2.gz GNXODIPRODZKMZ-UHFFFAOYSA-N 2 2 381.505 3.738 20 0 GHADLP CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)sc2C1 ZINC000571552215 899911399 /nfs/dbraw/zinc/91/13/99/899911399.db2.gz GNXODIPRODZKMZ-UHFFFAOYSA-N 2 2 381.505 3.738 20 0 GHADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(C)cc1 ZINC000825142477 900003470 /nfs/dbraw/zinc/00/34/70/900003470.db2.gz SJGZZCNQHPTGPH-QFIPXVFZSA-N 2 2 390.535 3.880 20 0 GHADLP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2)CC1 ZINC000333189323 900022372 /nfs/dbraw/zinc/02/23/72/900022372.db2.gz VHQHMAVSOLXVEY-UHFFFAOYSA-N 2 2 395.551 3.731 20 0 GHADLP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2)CC1 ZINC000333189323 900022386 /nfs/dbraw/zinc/02/23/86/900022386.db2.gz VHQHMAVSOLXVEY-UHFFFAOYSA-N 2 2 395.551 3.731 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000572011533 900034346 /nfs/dbraw/zinc/03/43/46/900034346.db2.gz HCPXCFKHJHRJTG-SCTDSRPQSA-N 2 2 376.504 3.629 20 0 GHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000572011533 900034354 /nfs/dbraw/zinc/03/43/54/900034354.db2.gz HCPXCFKHJHRJTG-SCTDSRPQSA-N 2 2 376.504 3.629 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1=S ZINC000884483113 900127222 /nfs/dbraw/zinc/12/72/22/900127222.db2.gz NTATVAAGYZMHQU-OKZBNKHCSA-N 2 2 395.617 3.685 20 0 GHADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1=S ZINC000884483113 900127229 /nfs/dbraw/zinc/12/72/29/900127229.db2.gz NTATVAAGYZMHQU-OKZBNKHCSA-N 2 2 395.617 3.685 20 0 GHADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001171097640 900388464 /nfs/dbraw/zinc/38/84/64/900388464.db2.gz FSHGOKVCHBNLTE-HSALFYBXSA-N 2 2 383.502 3.869 20 0 GHADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001171097640 900388472 /nfs/dbraw/zinc/38/84/72/900388472.db2.gz FSHGOKVCHBNLTE-HSALFYBXSA-N 2 2 383.502 3.869 20 0 GHADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1cccc(Cn3cc[nH+]c3C(C)C)c1)C2 ZINC000289943540 914441826 /nfs/dbraw/zinc/44/18/26/914441826.db2.gz ULNBGOSRRRBLPZ-GOSISDBHSA-N 2 2 377.492 3.761 20 0 GHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000573767286 900626184 /nfs/dbraw/zinc/62/61/84/900626184.db2.gz KKCRZMUWDFNGMY-UHFFFAOYSA-N 2 2 388.515 3.751 20 0 GHADLP Clc1cccc2ccc(C[N@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc12 ZINC001137222797 900677466 /nfs/dbraw/zinc/67/74/66/900677466.db2.gz AXHWJAVDYDHPRO-UHFFFAOYSA-N 2 2 395.938 3.739 20 0 GHADLP Clc1cccc2ccc(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc12 ZINC001137222797 900677471 /nfs/dbraw/zinc/67/74/71/900677471.db2.gz AXHWJAVDYDHPRO-UHFFFAOYSA-N 2 2 395.938 3.739 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H](O)c3cc(F)ccc3F)C2)s1 ZINC000844330152 900702344 /nfs/dbraw/zinc/70/23/44/900702344.db2.gz VIHLVROWXMDICI-YWZLYKJASA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H](O)c3cc(F)ccc3F)C2)s1 ZINC000844330152 900702355 /nfs/dbraw/zinc/70/23/55/900702355.db2.gz VIHLVROWXMDICI-YWZLYKJASA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](O)c3cc(F)ccc3F)C2)s1 ZINC000844330152 900702367 /nfs/dbraw/zinc/70/23/67/900702367.db2.gz VIHLVROWXMDICI-YWZLYKJASA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](O)c3cc(F)ccc3F)C2)s1 ZINC000844330152 900702371 /nfs/dbraw/zinc/70/23/71/900702371.db2.gz VIHLVROWXMDICI-YWZLYKJASA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H](O)c3cc(F)ccc3F)C2)s1 ZINC000844330151 900702732 /nfs/dbraw/zinc/70/27/32/900702732.db2.gz VIHLVROWXMDICI-QRWLVFNGSA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H](O)c3cc(F)ccc3F)C2)s1 ZINC000844330151 900702740 /nfs/dbraw/zinc/70/27/40/900702740.db2.gz VIHLVROWXMDICI-QRWLVFNGSA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](O)c3cc(F)ccc3F)C2)s1 ZINC000844330151 900702746 /nfs/dbraw/zinc/70/27/46/900702746.db2.gz VIHLVROWXMDICI-QRWLVFNGSA-N 2 2 380.504 3.822 20 0 GHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](O)c3cc(F)ccc3F)C2)s1 ZINC000844330151 900702755 /nfs/dbraw/zinc/70/27/55/900702755.db2.gz VIHLVROWXMDICI-QRWLVFNGSA-N 2 2 380.504 3.822 20 0 GHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)CC(=O)N2CCCC[C@H]2C)cc1 ZINC000575188708 901154123 /nfs/dbraw/zinc/15/41/23/901154123.db2.gz DNFJZOHSOPEZOW-HXUWFJFHSA-N 2 2 398.551 3.575 20 0 GHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CC(=O)N2CCCC[C@H]2C)cc1 ZINC000575188708 901154130 /nfs/dbraw/zinc/15/41/30/901154130.db2.gz DNFJZOHSOPEZOW-HXUWFJFHSA-N 2 2 398.551 3.575 20 0 GHADLP CCOc1ccc(-c2noc(C[NH+]3CCC(c4[nH]c(C)c(C)[nH+]4)CC3)n2)cc1 ZINC000886670923 901216940 /nfs/dbraw/zinc/21/69/40/901216940.db2.gz YUGWEZKFBLDGQZ-UHFFFAOYSA-N 2 2 381.480 3.855 20 0 GHADLP CC[N@@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575744885 901270676 /nfs/dbraw/zinc/27/06/76/901270676.db2.gz FYUCCLFATXHWMY-ZJOUEHCJSA-N 2 2 389.902 3.821 20 0 GHADLP CC[N@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575744885 901270682 /nfs/dbraw/zinc/27/06/82/901270682.db2.gz FYUCCLFATXHWMY-ZJOUEHCJSA-N 2 2 389.902 3.821 20 0 GHADLP Cc1cc2ncc([C@H](C)[NH2+]C3CC[NH+]([C@H](C)c4ccncc4)CC3)c(C)n2n1 ZINC000090668027 901439115 /nfs/dbraw/zinc/43/91/15/901439115.db2.gz DLZLQHNAZKWCRV-DLBZAZTESA-N 2 2 378.524 3.617 20 0 GHADLP O=C(NC1CC1)[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000576201205 901802165 /nfs/dbraw/zinc/80/21/65/901802165.db2.gz RPVMTXQKQNPMQH-XUZZJYLKSA-N 2 2 391.559 3.898 20 0 GHADLP O=C(NC1CC1)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000576201205 901802170 /nfs/dbraw/zinc/80/21/70/901802170.db2.gz RPVMTXQKQNPMQH-XUZZJYLKSA-N 2 2 391.559 3.898 20 0 GHADLP Clc1ccc2c(C[N@@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)c[nH]c2n1 ZINC001144414787 902087482 /nfs/dbraw/zinc/08/74/82/902087482.db2.gz UCOLBHDCEMPKKI-PKOBYXMFSA-N 2 2 388.943 3.539 20 0 GHADLP Clc1ccc2c(C[N@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)c[nH]c2n1 ZINC001144414787 902087487 /nfs/dbraw/zinc/08/74/87/902087487.db2.gz UCOLBHDCEMPKKI-PKOBYXMFSA-N 2 2 388.943 3.539 20 0 GHADLP Clc1ccc2c(C[NH+]3C[C@@H]4C[N@H+](CC5CCCC5)CCO[C@@H]4C3)c[nH]c2n1 ZINC001144414787 902087494 /nfs/dbraw/zinc/08/74/94/902087494.db2.gz UCOLBHDCEMPKKI-PKOBYXMFSA-N 2 2 388.943 3.539 20 0 GHADLP Clc1ccc2c(C[NH+]3C[C@@H]4C[N@@H+](CC5CCCC5)CCO[C@@H]4C3)c[nH]c2n1 ZINC001144414787 902087500 /nfs/dbraw/zinc/08/75/00/902087500.db2.gz UCOLBHDCEMPKKI-PKOBYXMFSA-N 2 2 388.943 3.539 20 0 GHADLP Cc1nc(C[N@@H+]2CCCC23CCN(Cc2[nH+]cn4ccccc24)CC3)cs1 ZINC001144618544 902512248 /nfs/dbraw/zinc/51/22/48/902512248.db2.gz WCOGDLGIZLEZEK-UHFFFAOYSA-N 2 2 381.549 3.730 20 0 GHADLP Cc1nc(C[N@H+]2CCCC23CCN(Cc2[nH+]cn4ccccc24)CC3)cs1 ZINC001144618544 902512259 /nfs/dbraw/zinc/51/22/59/902512259.db2.gz WCOGDLGIZLEZEK-UHFFFAOYSA-N 2 2 381.549 3.730 20 0 GHADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccncc2OCCC[NH+](C)C)CC1 ZINC000577676388 903036231 /nfs/dbraw/zinc/03/62/31/903036231.db2.gz BYTORNPSPYPGDB-KNQAVFIVSA-N 3 2 388.600 3.545 20 0 GHADLP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000132143053 903212864 /nfs/dbraw/zinc/21/28/64/903212864.db2.gz NKMNDMBQFCFDMH-XXBNENTESA-N 2 2 388.515 3.997 20 0 GHADLP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000132143053 903212882 /nfs/dbraw/zinc/21/28/82/903212882.db2.gz NKMNDMBQFCFDMH-XXBNENTESA-N 2 2 388.515 3.997 20 0 GHADLP CC[C@H](C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C)[N@H+](C)Cc1ccccc1 ZINC000577967248 903395628 /nfs/dbraw/zinc/39/56/28/903395628.db2.gz WIDNGXCSXCXTCJ-HSZRJFAPSA-N 2 2 395.547 3.676 20 0 GHADLP CC[C@H](C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C)[N@@H+](C)Cc1ccccc1 ZINC000577967248 903395639 /nfs/dbraw/zinc/39/56/39/903395639.db2.gz WIDNGXCSXCXTCJ-HSZRJFAPSA-N 2 2 395.547 3.676 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1C1CC1 ZINC000577986589 903415378 /nfs/dbraw/zinc/41/53/78/903415378.db2.gz GHQYOHXDCHCGQP-PXNSSMCTSA-N 2 2 393.531 3.746 20 0 GHADLP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1C1CC1 ZINC000577986589 903415383 /nfs/dbraw/zinc/41/53/83/903415383.db2.gz GHQYOHXDCHCGQP-PXNSSMCTSA-N 2 2 393.531 3.746 20 0 GHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(F)c(Cl)c1 ZINC000264855098 903427973 /nfs/dbraw/zinc/42/79/73/903427973.db2.gz KHIFFFPGONQDQX-HNNXBMFYSA-N 2 2 389.902 3.718 20 0 GHADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)CC1 ZINC000135267281 903651343 /nfs/dbraw/zinc/65/13/43/903651343.db2.gz YAZFLISHFQEJHX-FXAWDEMLSA-N 2 2 394.531 3.535 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC000136294229 903773219 /nfs/dbraw/zinc/77/32/19/903773219.db2.gz ICICWONAEYCEHF-UHFFFAOYSA-N 2 2 390.285 3.526 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC000136294229 903773232 /nfs/dbraw/zinc/77/32/32/903773232.db2.gz ICICWONAEYCEHF-UHFFFAOYSA-N 2 2 390.285 3.526 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000578443490 903848378 /nfs/dbraw/zinc/84/83/78/903848378.db2.gz YJRPGCWSXPDCSB-MDOVXXIYSA-N 2 2 387.911 3.698 20 0 GHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000578443490 903848384 /nfs/dbraw/zinc/84/83/84/903848384.db2.gz YJRPGCWSXPDCSB-MDOVXXIYSA-N 2 2 387.911 3.698 20 0 GHADLP CC(C)C[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)n1cc[nH+]c1 ZINC001148643356 904135234 /nfs/dbraw/zinc/13/52/34/904135234.db2.gz OBCNVCNPUHKQLV-VWNXMTODSA-N 2 2 394.563 3.985 20 0 GHADLP CC(C)C[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)n1cc[nH+]c1 ZINC001148643356 904135236 /nfs/dbraw/zinc/13/52/36/904135236.db2.gz OBCNVCNPUHKQLV-VWNXMTODSA-N 2 2 394.563 3.985 20 0 GHADLP O=C(NC1CC[NH+](C2CCCCC2)CC1)c1c[nH+]ccc1Nc1ccccc1 ZINC001148704269 904183919 /nfs/dbraw/zinc/18/39/19/904183919.db2.gz BOCHTPLKVGVPQE-UHFFFAOYSA-N 2 2 378.520 3.774 20 0 GHADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(OC)c1OC ZINC000282816881 904325210 /nfs/dbraw/zinc/32/52/10/904325210.db2.gz TVXMSUHOCKZLGI-KRWDZBQOSA-N 2 2 385.508 3.625 20 0 GHADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(OC)c1OC ZINC000282816881 904325224 /nfs/dbraw/zinc/32/52/24/904325224.db2.gz TVXMSUHOCKZLGI-KRWDZBQOSA-N 2 2 385.508 3.625 20 0 GHADLP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(C)cc2Br)CCCCC1 ZINC001171382115 904428141 /nfs/dbraw/zinc/42/81/41/904428141.db2.gz VITRKBUANMZTDG-INIZCTEOSA-N 2 2 383.374 3.819 20 0 GHADLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(C)cc2Br)CCCCC1 ZINC001171382115 904428145 /nfs/dbraw/zinc/42/81/45/904428145.db2.gz VITRKBUANMZTDG-INIZCTEOSA-N 2 2 383.374 3.819 20 0 GHADLP O=C(CC[NH2+]CC1([NH+]2CCSCC2)CCCC1)Nc1ccc(Cl)cc1 ZINC000579308606 904500238 /nfs/dbraw/zinc/50/02/38/904500238.db2.gz XVWHFKRQZDJWFY-UHFFFAOYSA-N 2 2 381.973 3.620 20 0 GHADLP CC[N@H+](CCC1CC[NH+](Cn2nc(N(C)C)sc2=S)CC1)CC(C)C ZINC000773272528 904639634 /nfs/dbraw/zinc/63/96/34/904639634.db2.gz REECHURJALPSEN-UHFFFAOYSA-N 2 2 385.647 3.778 20 0 GHADLP CC[N@@H+](CCC1CC[NH+](Cn2nc(N(C)C)sc2=S)CC1)CC(C)C ZINC000773272528 904639647 /nfs/dbraw/zinc/63/96/47/904639647.db2.gz REECHURJALPSEN-UHFFFAOYSA-N 2 2 385.647 3.778 20 0 GHADLP Fc1cc2c(c(F)c1F)C[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC001171506792 904784437 /nfs/dbraw/zinc/78/44/37/904784437.db2.gz IBJJDISSJRFLEJ-GOSISDBHSA-N 2 2 390.449 3.583 20 0 GHADLP Cc1ccc(CC[C@H](C)[NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC001171678504 904919974 /nfs/dbraw/zinc/91/99/74/904919974.db2.gz GRKZSJHHVTTWKF-FQEVSTJZSA-N 2 2 379.552 3.529 20 0 GHADLP CCOC(=O)C1(C)CCC([NH2+][C@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC001171940016 905194949 /nfs/dbraw/zinc/19/49/49/905194949.db2.gz HJXCFCVGMQUNTD-UPTPFMHGSA-N 2 2 383.330 3.551 20 0 GHADLP Cc1cc(N2CC[NH+]([C@@H](C)Cc3ccc(C(F)(F)F)cc3)CC2)nc(C)[nH+]1 ZINC001171973233 905219319 /nfs/dbraw/zinc/21/93/19/905219319.db2.gz HFPSACFWCFNUCW-HNNXBMFYSA-N 2 2 378.442 3.865 20 0 GHADLP COC(=O)C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cccnc1 ZINC001171977200 905224002 /nfs/dbraw/zinc/22/40/02/905224002.db2.gz YIXWQMCMBJJMJL-LEWJYISDSA-N 2 2 381.520 3.719 20 0 GHADLP COC(=O)C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cccnc1 ZINC001171977200 905224007 /nfs/dbraw/zinc/22/40/07/905224007.db2.gz YIXWQMCMBJJMJL-LEWJYISDSA-N 2 2 381.520 3.719 20 0 GHADLP c1csc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)n1 ZINC001172080817 905294261 /nfs/dbraw/zinc/29/42/61/905294261.db2.gz XDPVKHNXXOTCCJ-AERCQKQUSA-N 2 2 382.577 3.851 20 0 GHADLP c1csc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)n1 ZINC001172080817 905294273 /nfs/dbraw/zinc/29/42/73/905294273.db2.gz XDPVKHNXXOTCCJ-AERCQKQUSA-N 2 2 382.577 3.851 20 0 GHADLP COc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c(OC)n1 ZINC001172066756 905331247 /nfs/dbraw/zinc/33/12/47/905331247.db2.gz MZSPZJMCCXRCEC-MZADTFQBSA-N 2 2 381.520 3.774 20 0 GHADLP COc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(OC)n1 ZINC001172066756 905331288 /nfs/dbraw/zinc/33/12/88/905331288.db2.gz MZSPZJMCCXRCEC-MZADTFQBSA-N 2 2 381.520 3.774 20 0 GHADLP CCOCC[C@H](C)[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001172430284 905539908 /nfs/dbraw/zinc/53/99/08/905539908.db2.gz GEFXDHHSTWTDPE-SFHVURJKSA-N 2 2 397.604 3.597 20 0 GHADLP CCOCC[C@H](C)[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001172430284 905539922 /nfs/dbraw/zinc/53/99/22/905539922.db2.gz GEFXDHHSTWTDPE-SFHVURJKSA-N 2 2 397.604 3.597 20 0 GHADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172540946 905643637 /nfs/dbraw/zinc/64/36/37/905643637.db2.gz LSKKDNNEUCQPEZ-SMIHKQSGSA-N 2 2 386.580 3.774 20 0 GHADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172540946 905643644 /nfs/dbraw/zinc/64/36/44/905643644.db2.gz LSKKDNNEUCQPEZ-SMIHKQSGSA-N 2 2 386.580 3.774 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172540946 905643651 /nfs/dbraw/zinc/64/36/51/905643651.db2.gz LSKKDNNEUCQPEZ-SMIHKQSGSA-N 2 2 386.580 3.774 20 0 GHADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172540946 905643661 /nfs/dbraw/zinc/64/36/61/905643661.db2.gz LSKKDNNEUCQPEZ-SMIHKQSGSA-N 2 2 386.580 3.774 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC4(CCCC4)c4ccccc43)CC2)CC1 ZINC000175733131 905650574 /nfs/dbraw/zinc/65/05/74/905650574.db2.gz XVDOICQVJQYVJL-UHFFFAOYSA-N 2 2 396.579 3.587 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172584703 905684088 /nfs/dbraw/zinc/68/40/88/905684088.db2.gz OVUMJLCOBWMOIE-LMMKCTJWSA-N 2 2 377.504 3.608 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172584703 905684095 /nfs/dbraw/zinc/68/40/95/905684095.db2.gz OVUMJLCOBWMOIE-LMMKCTJWSA-N 2 2 377.504 3.608 20 0 GHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cc4ccccc4[nH]c3=O)CC2)cc1 ZINC001204104634 905976010 /nfs/dbraw/zinc/97/60/10/905976010.db2.gz RMIILSBHBYWZEJ-UHFFFAOYSA-N 2 2 376.504 3.765 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+]([C@@H]1CCc3ncsc3C1)C2 ZINC001173137070 906218507 /nfs/dbraw/zinc/21/85/07/906218507.db2.gz IYADAKLSVIOXGX-GOSISDBHSA-N 2 2 394.544 3.679 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+]([C@@H]1CCc3ncsc3C1)C2 ZINC001173137070 906218524 /nfs/dbraw/zinc/21/85/24/906218524.db2.gz IYADAKLSVIOXGX-GOSISDBHSA-N 2 2 394.544 3.679 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+]([C@@H]1CCc3ncsc3C1)C2 ZINC001173137070 906218538 /nfs/dbraw/zinc/21/85/38/906218538.db2.gz IYADAKLSVIOXGX-GOSISDBHSA-N 2 2 394.544 3.679 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+]([C@@H]1CCc3ncsc3C1)C2 ZINC001173137070 906218550 /nfs/dbraw/zinc/21/85/50/906218550.db2.gz IYADAKLSVIOXGX-GOSISDBHSA-N 2 2 394.544 3.679 20 0 GHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc2ccccc2n1 ZINC000178002771 906264608 /nfs/dbraw/zinc/26/46/08/906264608.db2.gz WBLMQKVSAOHQQL-IBGZPJMESA-N 2 2 391.515 3.797 20 0 GHADLP CCSC[C@@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC001173296027 906357077 /nfs/dbraw/zinc/35/70/77/906357077.db2.gz PFDFWLRBJPRRMP-QRWLVFNGSA-N 2 2 382.533 3.859 20 0 GHADLP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)C1 ZINC001173649254 906634676 /nfs/dbraw/zinc/63/46/76/906634676.db2.gz GLNVJJKMSBCHAH-FXAWDEMLSA-N 2 2 376.516 3.810 20 0 GHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000779387229 906667022 /nfs/dbraw/zinc/66/70/22/906667022.db2.gz MCHXGSNPOJRJKU-WMZOPIPTSA-N 2 2 376.545 3.530 20 0 GHADLP CCOc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000629653760 906931258 /nfs/dbraw/zinc/93/12/58/906931258.db2.gz GDSONCAKJIAAPA-STQMWFEESA-N 2 2 382.373 3.646 20 0 GHADLP CCOc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000629653760 906931262 /nfs/dbraw/zinc/93/12/62/906931262.db2.gz GDSONCAKJIAAPA-STQMWFEESA-N 2 2 382.373 3.646 20 0 GHADLP C[N@@H+]1CCCn2nc(C(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C)cc2C1 ZINC001175104388 907359963 /nfs/dbraw/zinc/35/99/63/907359963.db2.gz GUWQVLPSJGVQIA-UHFFFAOYSA-N 2 2 380.517 3.917 20 0 GHADLP C[N@H+]1CCCn2nc(C(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C)cc2C1 ZINC001175104388 907359981 /nfs/dbraw/zinc/35/99/81/907359981.db2.gz GUWQVLPSJGVQIA-UHFFFAOYSA-N 2 2 380.517 3.917 20 0 GHADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001175070041 907365313 /nfs/dbraw/zinc/36/53/13/907365313.db2.gz KLHHXALHZWSCCF-FGZHOGPDSA-N 2 2 386.971 3.975 20 0 GHADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000183806075 907460970 /nfs/dbraw/zinc/46/09/70/907460970.db2.gz JBJJDVUGRLXFGX-ROUUACIJSA-N 2 2 397.519 3.510 20 0 GHADLP CC1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000184622354 907625010 /nfs/dbraw/zinc/62/50/10/907625010.db2.gz XNULFMMQVXCUNB-UHFFFAOYSA-N 2 2 392.547 3.600 20 0 GHADLP CCC1([NH+]2CCC2)CC[NH+](C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC001176235258 907999209 /nfs/dbraw/zinc/99/92/09/907999209.db2.gz RREQJAXBEYXHNK-SFHVURJKSA-N 2 2 399.348 3.746 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCCCc3ccc(F)cc3)CC2)CC1 ZINC000188834446 908255666 /nfs/dbraw/zinc/25/56/66/908255666.db2.gz YLTFGVRCGAJAMX-UHFFFAOYSA-N 2 2 389.559 3.603 20 0 GHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Br)sc1Br ZINC001177231559 908474954 /nfs/dbraw/zinc/47/49/54/908474954.db2.gz VHXPTVXDSPENGH-QMMMGPOBSA-N 2 2 379.121 3.648 20 0 GHADLP c1ccc(CC2([NH2+]Cc3ccc(OCC[NH+]4CCOCC4)cc3)CCC2)cc1 ZINC001177976649 908856186 /nfs/dbraw/zinc/85/61/86/908856186.db2.gz GZGGHQXMQQTTDO-UHFFFAOYSA-N 2 2 380.532 3.653 20 0 GHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC000635494122 909271445 /nfs/dbraw/zinc/27/14/45/909271445.db2.gz GBQKLPCWYPWYHW-ZBFHGGJFSA-N 2 2 382.430 3.622 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)c1C ZINC001180149397 909989439 /nfs/dbraw/zinc/98/94/39/909989439.db2.gz WVEYIEFUHAMKDM-UHFFFAOYSA-N 2 2 398.551 3.942 20 0 GHADLP CCOC(=O)c1[nH]c(C)c(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)c1C ZINC001180149397 909989448 /nfs/dbraw/zinc/98/94/48/909989448.db2.gz WVEYIEFUHAMKDM-UHFFFAOYSA-N 2 2 398.551 3.942 20 0 GHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000246285196 910215987 /nfs/dbraw/zinc/21/59/87/910215987.db2.gz CQNCEQXNMVGGJU-TZIWHRDSSA-N 2 2 395.551 3.668 20 0 GHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000246285196 910215999 /nfs/dbraw/zinc/21/59/99/910215999.db2.gz CQNCEQXNMVGGJU-TZIWHRDSSA-N 2 2 395.551 3.668 20 0 GHADLP CC(C)(O)C[NH+]1CCC([NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000638827152 910245532 /nfs/dbraw/zinc/24/55/32/910245532.db2.gz BEAZYWZNBBIBGZ-NRFANRHFSA-N 2 2 387.955 3.844 20 0 GHADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)nc(N2CCCC2)n1 ZINC000639218121 910353925 /nfs/dbraw/zinc/35/39/25/910353925.db2.gz AJUOUIXQUMSREP-NZQKXSOJSA-N 2 2 391.563 3.843 20 0 GHADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)nc(N2CCCC2)n1 ZINC000639218121 910353947 /nfs/dbraw/zinc/35/39/47/910353947.db2.gz AJUOUIXQUMSREP-NZQKXSOJSA-N 2 2 391.563 3.843 20 0 GHADLP CN(C(=O)c1cccc2cnccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000270018068 910409279 /nfs/dbraw/zinc/40/92/79/910409279.db2.gz CYQSEIIDNIGYLF-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP CN(C(=O)c1cccc2cnccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000270018068 910409290 /nfs/dbraw/zinc/40/92/90/910409290.db2.gz CYQSEIIDNIGYLF-PKTZIBPZSA-N 2 2 394.563 3.644 20 0 GHADLP CC(C)C[NH+]1CCC(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000270168549 910467705 /nfs/dbraw/zinc/46/77/05/910467705.db2.gz BFDIJMIJJWXSPV-UHFFFAOYSA-N 2 2 393.535 3.844 20 0 GHADLP CN(CCCC[NH+]1CCCCC1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000639659001 910595154 /nfs/dbraw/zinc/59/51/54/910595154.db2.gz GJSHQHYQSZCAMC-UHFFFAOYSA-N 2 2 399.539 3.692 20 0 GHADLP CO[C@@H](C)c1noc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000639724956 910635482 /nfs/dbraw/zinc/63/54/82/910635482.db2.gz DRSNIEIBVZSBLO-SFHVURJKSA-N 2 2 384.524 3.655 20 0 GHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(F)c(Br)c3)CC2)CC1 ZINC000270847029 910715849 /nfs/dbraw/zinc/71/58/49/910715849.db2.gz GBMMUMNBLDYGSM-UHFFFAOYSA-N 2 2 398.364 3.579 20 0 GHADLP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)C2)cc1 ZINC000247083970 910956911 /nfs/dbraw/zinc/95/69/11/910956911.db2.gz NQRZUBHSFIHUHG-JCTONOIOSA-N 2 2 378.564 3.859 20 0 GHADLP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)C2)cc1 ZINC000247083970 910956924 /nfs/dbraw/zinc/95/69/24/910956924.db2.gz NQRZUBHSFIHUHG-JCTONOIOSA-N 2 2 378.564 3.859 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)cn1 ZINC000274097357 911221683 /nfs/dbraw/zinc/22/16/83/911221683.db2.gz YXMDDOXZPAFNFF-IBGZPJMESA-N 2 2 386.459 3.963 20 0 GHADLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)cn1 ZINC000274097357 911221695 /nfs/dbraw/zinc/22/16/95/911221695.db2.gz YXMDDOXZPAFNFF-IBGZPJMESA-N 2 2 386.459 3.963 20 0 GHADLP CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3c(C)c[nH+]c4c(C)cccc43)CC2)n1 ZINC000274129670 911234130 /nfs/dbraw/zinc/23/41/30/911234130.db2.gz DWQWRGRUVIRTRE-KRWDZBQOSA-N 2 2 395.507 3.654 20 0 GHADLP CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3c(C)c[nH+]c4c(C)cccc43)CC2)n1 ZINC000274129670 911234144 /nfs/dbraw/zinc/23/41/44/911234144.db2.gz DWQWRGRUVIRTRE-KRWDZBQOSA-N 2 2 395.507 3.654 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CC2(C[C@@H]2NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001183035848 912209548 /nfs/dbraw/zinc/20/95/48/912209548.db2.gz KRYZHKCSKLLUST-FSTYKVKCSA-N 2 2 396.535 3.739 20 0 GHADLP CCN(C(=O)C[C@H]1C[N@H+](C(c2ccccc2)c2ccccc2)[C@@H]1C)C1C[NH+](C)C1 ZINC001186945263 914882557 /nfs/dbraw/zinc/88/25/57/914882557.db2.gz AIMVABAHUHXNOH-KNQAVFIVSA-N 2 2 391.559 3.649 20 0 GHADLP CCN(C(=O)C[C@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@@H]1C)C1C[NH+](C)C1 ZINC001186945263 914882575 /nfs/dbraw/zinc/88/25/75/914882575.db2.gz AIMVABAHUHXNOH-KNQAVFIVSA-N 2 2 391.559 3.649 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)NCc1cccs1 ZINC000647241415 915102003 /nfs/dbraw/zinc/10/20/03/915102003.db2.gz NIINHWMZYYQVER-LMNJBCLMSA-N 2 2 385.577 3.786 20 0 GHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)NCc1cccs1 ZINC000647241415 915102009 /nfs/dbraw/zinc/10/20/09/915102009.db2.gz NIINHWMZYYQVER-LMNJBCLMSA-N 2 2 385.577 3.786 20 0 GHADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cc3cc(Cl)cnc3o2)c2ccccc2)CC1 ZINC000648399968 915678954 /nfs/dbraw/zinc/67/89/54/915678954.db2.gz KHSDJJVXFGIZSJ-HXUWFJFHSA-N 2 2 384.911 3.560 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCOc4ccccc43)CC2)cc1 ZINC000648751273 915860153 /nfs/dbraw/zinc/86/01/53/915860153.db2.gz JATKVFWSSNULSH-FQEVSTJZSA-N 2 2 393.531 3.765 20 0 GHADLP O=C1N(CCn2cc[nH+]c2)CC[C@@]12CCC[N@@H+](Cc1ccc(Cl)s1)CC2 ZINC001275694820 916069750 /nfs/dbraw/zinc/06/97/50/916069750.db2.gz BUCJHKVVAGIONK-IBGZPJMESA-N 2 2 392.956 3.503 20 0 GHADLP O=C1N(CCn2cc[nH+]c2)CC[C@@]12CCC[N@H+](Cc1ccc(Cl)s1)CC2 ZINC001275694820 916069760 /nfs/dbraw/zinc/06/97/60/916069760.db2.gz BUCJHKVVAGIONK-IBGZPJMESA-N 2 2 392.956 3.503 20 0 GHADLP CC(=O)Nc1nc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cs1 ZINC000293440038 916205993 /nfs/dbraw/zinc/20/59/93/916205993.db2.gz VBIMQPXAGJBWGY-UHFFFAOYSA-N 2 2 384.549 3.590 20 0 GHADLP CC(=O)Nc1nc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cs1 ZINC000293440038 916206012 /nfs/dbraw/zinc/20/60/12/916206012.db2.gz VBIMQPXAGJBWGY-UHFFFAOYSA-N 2 2 384.549 3.590 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H](c3nnc[nH]3)C3CCCCC3)cc2)C[C@@H](C)O1 ZINC000293475420 916222199 /nfs/dbraw/zinc/22/21/99/916222199.db2.gz QUUXAYSTGXICNJ-JBYIUTFZSA-N 2 2 397.567 3.825 20 0 GHADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc(N2CCCC2)n1 ZINC000293688477 916331038 /nfs/dbraw/zinc/33/10/38/916331038.db2.gz NONOHFDBJIEYAS-CTNGQTDRSA-N 2 2 379.552 3.528 20 0 GHADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc(N2CCCC2)n1 ZINC000293688477 916331057 /nfs/dbraw/zinc/33/10/57/916331057.db2.gz NONOHFDBJIEYAS-CTNGQTDRSA-N 2 2 379.552 3.528 20 0 GHADLP CSc1cc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccc1C ZINC000650540387 917078759 /nfs/dbraw/zinc/07/87/59/917078759.db2.gz FIFGFULSPDYPPK-UHFFFAOYSA-N 2 2 390.597 3.789 20 0 GHADLP FC(F)C(F)(F)CN1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001191047408 917749830 /nfs/dbraw/zinc/74/98/30/917749830.db2.gz FGTKLKWESYGAFO-UHFFFAOYSA-N 2 2 387.465 3.691 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000364542033 919612356 /nfs/dbraw/zinc/61/23/56/919612356.db2.gz ZBPLBZCMCSRNHN-KRWDZBQOSA-N 2 2 398.551 3.997 20 0 GHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000364542033 919612363 /nfs/dbraw/zinc/61/23/63/919612363.db2.gz ZBPLBZCMCSRNHN-KRWDZBQOSA-N 2 2 398.551 3.997 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000800403625 920035911 /nfs/dbraw/zinc/03/59/11/920035911.db2.gz NDEJXBROFUUOLE-ZWKOTPCHSA-N 2 2 388.556 3.656 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000800403625 920035927 /nfs/dbraw/zinc/03/59/27/920035927.db2.gz NDEJXBROFUUOLE-ZWKOTPCHSA-N 2 2 388.556 3.656 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000365221293 920529824 /nfs/dbraw/zinc/52/98/24/920529824.db2.gz PBUWZGPRKOSFGY-FQEVSTJZSA-N 2 2 395.551 3.860 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000800893588 920575416 /nfs/dbraw/zinc/57/54/16/920575416.db2.gz QYFOXJFBWMDQGJ-IBGZPJMESA-N 2 2 384.524 3.998 20 0 GHADLP COCCC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)cc1 ZINC000368105850 922478951 /nfs/dbraw/zinc/47/89/51/922478951.db2.gz XPBZTKKHJOKDOP-HZPDHXFCSA-N 2 2 378.314 3.787 20 0 GHADLP C[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902802402 922505824 /nfs/dbraw/zinc/50/58/24/922505824.db2.gz NEFNWJPHHYSUKV-KRWDZBQOSA-N 2 2 378.476 3.676 20 0 GHADLP C[C@@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902817203 922523344 /nfs/dbraw/zinc/52/33/44/922523344.db2.gz XCJFMEXRRSHRRB-QGZVFWFLSA-N 2 2 380.467 3.699 20 0 GHADLP C[NH+]1CCN(CCCC[NH2+][C@H](c2ccccc2F)c2ccc(F)cc2F)CC1 ZINC000903066123 922741566 /nfs/dbraw/zinc/74/15/66/922741566.db2.gz KPMWMRPWKMINHL-JOCHJYFZSA-N 2 2 391.481 3.811 20 0 GHADLP CN(C(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368663719 922800491 /nfs/dbraw/zinc/80/04/91/922800491.db2.gz QYVNYXFELUNFNJ-OAHLLOKOSA-N 2 2 385.339 3.626 20 0 GHADLP CN(C(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368663719 922800501 /nfs/dbraw/zinc/80/05/01/922800501.db2.gz QYVNYXFELUNFNJ-OAHLLOKOSA-N 2 2 385.339 3.626 20 0 GHADLP CN(C(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368663718 922800852 /nfs/dbraw/zinc/80/08/52/922800852.db2.gz QYVNYXFELUNFNJ-HNNXBMFYSA-N 2 2 385.339 3.626 20 0 GHADLP CN(C(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368663718 922800857 /nfs/dbraw/zinc/80/08/57/922800857.db2.gz QYVNYXFELUNFNJ-HNNXBMFYSA-N 2 2 385.339 3.626 20 0 GHADLP Brc1cccc2c(NC3CC[NH+]([C@@H]4CCOC4)CC3)cc[nH+]c12 ZINC000677650105 924439526 /nfs/dbraw/zinc/43/95/26/924439526.db2.gz PUVYKKOXYRKODV-CQSZACIVSA-N 2 2 376.298 3.663 20 0 GHADLP C[C@H]([NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000679045811 925010728 /nfs/dbraw/zinc/01/07/28/925010728.db2.gz XOQHHCFJAIPWQQ-GBXCKJPGSA-N 2 2 390.531 3.550 20 0 GHADLP CCCc1occc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000409852520 925068426 /nfs/dbraw/zinc/06/84/26/925068426.db2.gz HLVYBLYYNOAVKW-UXHICEINSA-N 2 2 375.557 3.641 20 0 GHADLP CCCc1occc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000409852520 925068434 /nfs/dbraw/zinc/06/84/34/925068434.db2.gz HLVYBLYYNOAVKW-UXHICEINSA-N 2 2 375.557 3.641 20 0 GHADLP CC[NH+](CC)Cc1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)o1 ZINC000679417941 925132949 /nfs/dbraw/zinc/13/29/49/925132949.db2.gz NQANGBKAULOMND-FQEVSTJZSA-N 2 2 396.491 3.745 20 0 GHADLP CC[NH+](CC)Cc1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)o1 ZINC000679417941 925132955 /nfs/dbraw/zinc/13/29/55/925132955.db2.gz NQANGBKAULOMND-FQEVSTJZSA-N 2 2 396.491 3.745 20 0 GHADLP CN(C(=O)[C@H]1CCCC(F)(F)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000409960756 925186755 /nfs/dbraw/zinc/18/67/55/925186755.db2.gz YASXXXLFXKWZIR-UHOSZYNNSA-N 2 2 385.543 3.608 20 0 GHADLP CN(C(=O)[C@H]1CCCC(F)(F)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000409960756 925186758 /nfs/dbraw/zinc/18/67/58/925186758.db2.gz YASXXXLFXKWZIR-UHOSZYNNSA-N 2 2 385.543 3.608 20 0 GHADLP C[C@@H]([NH2+]Cc1cn2cc(Br)ccc2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401280 925468586 /nfs/dbraw/zinc/46/85/86/925468586.db2.gz NJAYXLLNYIHMCZ-CABCVRRESA-N 2 2 391.357 3.839 20 0 GHADLP C[C@@H]([NH2+]Cc1cn2cc(Br)ccc2n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401280 925468592 /nfs/dbraw/zinc/46/85/92/925468592.db2.gz NJAYXLLNYIHMCZ-CABCVRRESA-N 2 2 391.357 3.839 20 0 GHADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)oc21 ZINC000680405680 925469777 /nfs/dbraw/zinc/46/97/77/925469777.db2.gz CBYHNRBEXCMZCL-PXNSSMCTSA-N 2 2 382.504 3.975 20 0 GHADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)oc21 ZINC000680405680 925469780 /nfs/dbraw/zinc/46/97/80/925469780.db2.gz CBYHNRBEXCMZCL-PXNSSMCTSA-N 2 2 382.504 3.975 20 0 GHADLP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410291440 925504841 /nfs/dbraw/zinc/50/48/41/925504841.db2.gz OREDEOSAVIWCHH-RBBKRZOGSA-N 2 2 392.547 3.590 20 0 GHADLP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410291440 925504845 /nfs/dbraw/zinc/50/48/45/925504845.db2.gz OREDEOSAVIWCHH-RBBKRZOGSA-N 2 2 392.547 3.590 20 0 GHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cccnc1Cl)C2 ZINC001137423922 925611883 /nfs/dbraw/zinc/61/18/83/925611883.db2.gz YFRUBPJQDWOREE-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cccnc1Cl)C2 ZINC001137423922 925611886 /nfs/dbraw/zinc/61/18/86/925611886.db2.gz YFRUBPJQDWOREE-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1cccnc1Cl)C2 ZINC001137423922 925611888 /nfs/dbraw/zinc/61/18/88/925611888.db2.gz YFRUBPJQDWOREE-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1cccnc1Cl)C2 ZINC001137423922 925611893 /nfs/dbraw/zinc/61/18/93/925611893.db2.gz YFRUBPJQDWOREE-UHFFFAOYSA-N 2 2 382.895 3.913 20 0 GHADLP CSc1ccccc1NC(=O)CC[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000411586720 926533811 /nfs/dbraw/zinc/53/38/11/926533811.db2.gz WDCDKYBTBAVQAR-AVRDEDQJSA-N 2 2 398.576 3.757 20 0 GHADLP CSc1ccccc1NC(=O)CC[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000411586720 926533820 /nfs/dbraw/zinc/53/38/20/926533820.db2.gz WDCDKYBTBAVQAR-AVRDEDQJSA-N 2 2 398.576 3.757 20 0 GHADLP CSc1ccccc1NC(=O)CC[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000411586720 926533829 /nfs/dbraw/zinc/53/38/29/926533829.db2.gz WDCDKYBTBAVQAR-AVRDEDQJSA-N 2 2 398.576 3.757 20 0 GHADLP CSc1ccccc1NC(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000411586720 926533838 /nfs/dbraw/zinc/53/38/38/926533838.db2.gz WDCDKYBTBAVQAR-AVRDEDQJSA-N 2 2 398.576 3.757 20 0 GHADLP C[NH+](C)CCN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CCCC1 ZINC000374329066 927023557 /nfs/dbraw/zinc/02/35/57/927023557.db2.gz KNSVZEWHDDAFRK-UHFFFAOYSA-N 2 2 393.535 3.940 20 0 GHADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000751482213 928214273 /nfs/dbraw/zinc/21/42/73/928214273.db2.gz JKWQFIKBMAQAQW-KRWDZBQOSA-N 2 2 381.524 3.607 20 0 GHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(I)c1 ZINC000380187745 928271498 /nfs/dbraw/zinc/27/14/98/928271498.db2.gz OPDDGUJTXSVAKR-HNNXBMFYSA-N 2 2 383.277 3.692 20 0 GHADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375434102 928301247 /nfs/dbraw/zinc/30/12/47/928301247.db2.gz CUDXDVVEQAYOPV-IBGZPJMESA-N 2 2 383.540 3.573 20 0 GHADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375434102 928301260 /nfs/dbraw/zinc/30/12/60/928301260.db2.gz CUDXDVVEQAYOPV-IBGZPJMESA-N 2 2 383.540 3.573 20 0 GHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@H](CC(C)(C)C)C3(C)C)CC2)CC1 ZINC000413213032 928326240 /nfs/dbraw/zinc/32/62/40/928326240.db2.gz ZBEBQEZRVGIPSC-SFHVURJKSA-N 2 2 392.632 3.791 20 0 GHADLP O[C@H](COc1ccc(Oc2ccccc2)cc1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467150777 928762671 /nfs/dbraw/zinc/76/26/71/928762671.db2.gz UQURLAJRVHCZHO-IBGZPJMESA-N 2 2 393.487 3.821 20 0 GHADLP CSc1nnc(CCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)n1CC(C)C ZINC000544172509 928887139 /nfs/dbraw/zinc/88/71/39/928887139.db2.gz ZZMXCDAXCRMMDI-UHFFFAOYSA-N 2 2 390.582 3.626 20 0 GHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544223883 928951914 /nfs/dbraw/zinc/95/19/14/928951914.db2.gz UTSNCMCYDIILSO-AQNXPRMDSA-N 2 2 384.568 3.578 20 0 GHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544223883 928951923 /nfs/dbraw/zinc/95/19/23/928951923.db2.gz UTSNCMCYDIILSO-AQNXPRMDSA-N 2 2 384.568 3.578 20 0 GHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000545912908 929668675 /nfs/dbraw/zinc/66/86/75/929668675.db2.gz WKXNCJIHVVNBPD-QGZVFWFLSA-N 2 2 385.335 3.988 20 0 GHADLP C[C@@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[NH+]1CCCCC1 ZINC000757908133 929850534 /nfs/dbraw/zinc/85/05/34/929850534.db2.gz KMHQIVMYIHHGLV-KRWDZBQOSA-N 2 2 379.508 3.598 20 0 GHADLP C[NH+](C)Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1Br ZINC000469484713 929930147 /nfs/dbraw/zinc/93/01/47/929930147.db2.gz XKZCLOTVDKUTSA-SFHVURJKSA-N 2 2 390.325 3.752 20 0 GHADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000546660077 930335577 /nfs/dbraw/zinc/33/55/77/930335577.db2.gz VVXCPTLCUWOFGA-MSOLQXFVSA-N 2 2 393.531 3.780 20 0 GHADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000470166617 930423617 /nfs/dbraw/zinc/42/36/17/930423617.db2.gz HLQSSKVVECPRTH-HSZRJFAPSA-N 2 2 390.531 3.818 20 0 GHADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000470166617 930423619 /nfs/dbraw/zinc/42/36/19/930423619.db2.gz HLQSSKVVECPRTH-HSZRJFAPSA-N 2 2 390.531 3.818 20 0 GHADLP CC[C@@H]([NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000557417379 931414321 /nfs/dbraw/zinc/41/43/21/931414321.db2.gz CWTYCFUSTNFTKZ-VQIMIIECSA-N 2 2 386.927 3.513 20 0 GHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000557457021 931441593 /nfs/dbraw/zinc/44/15/93/931441593.db2.gz IXBJBNANRXJDKN-QFIPXVFZSA-N 2 2 388.515 3.844 20 0 GHADLP CC(C)[C@@H](C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)N1CC[NH+](C)CC1 ZINC000924630518 931455384 /nfs/dbraw/zinc/45/53/84/931455384.db2.gz FUCWORYWBSJMTJ-FGZHOGPDSA-N 2 2 386.971 3.686 20 0 GHADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+](Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000783971119 931735463 /nfs/dbraw/zinc/73/54/63/931735463.db2.gz HGMQTVWLFMYBRV-SFHVURJKSA-N 2 2 384.499 3.668 20 0 GHADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000783971119 931735465 /nfs/dbraw/zinc/73/54/65/931735465.db2.gz HGMQTVWLFMYBRV-SFHVURJKSA-N 2 2 384.499 3.668 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CC[N@H+](C)C2CCCCC2)C[C@@H](C)O1 ZINC000558703196 932179152 /nfs/dbraw/zinc/17/91/52/932179152.db2.gz SMADOBHNJPLOPS-RTBURBONSA-N 2 2 387.568 3.889 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H](C)O1 ZINC000558703196 932179158 /nfs/dbraw/zinc/17/91/58/932179158.db2.gz SMADOBHNJPLOPS-RTBURBONSA-N 2 2 387.568 3.889 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3cnn(C4CCC4)c3)CC2)cc1 ZINC000926529032 932218375 /nfs/dbraw/zinc/21/83/75/932218375.db2.gz UDVLQRZBCYVGPX-KRWDZBQOSA-N 2 2 395.551 3.882 20 0 GHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3CCCO)CC2)cc1 ZINC000926528899 932218502 /nfs/dbraw/zinc/21/85/02/932218502.db2.gz SVEGUOXGXJNYEM-NZQKXSOJSA-N 2 2 387.568 3.530 20 0 GHADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)cc1 ZINC000926960433 932364602 /nfs/dbraw/zinc/36/46/02/932364602.db2.gz VQTNDPMVRQFWOR-LJQANCHMSA-N 2 2 395.547 3.977 20 0 GHADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)cc1 ZINC000926960433 932364606 /nfs/dbraw/zinc/36/46/06/932364606.db2.gz VQTNDPMVRQFWOR-LJQANCHMSA-N 2 2 395.547 3.977 20 0 GHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4nc5c(s4)COCC5)[C@@H]3C2)cc1 ZINC000927122996 932422008 /nfs/dbraw/zinc/42/20/08/932422008.db2.gz YZXMKSUGPNZHAR-OTWHNJEPSA-N 2 2 383.561 3.606 20 0 GHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4nc5c(s4)COCC5)[C@@H]3C2)cc1 ZINC000927122996 932422011 /nfs/dbraw/zinc/42/20/11/932422011.db2.gz YZXMKSUGPNZHAR-OTWHNJEPSA-N 2 2 383.561 3.606 20 0 GHADLP CC(C)[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)NC(=O)OC(C)(C)C ZINC000798273634 932586644 /nfs/dbraw/zinc/58/66/44/932586644.db2.gz GPELSCJLAVDYQR-HNNXBMFYSA-N 2 2 381.483 3.542 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000798276010 932588145 /nfs/dbraw/zinc/58/81/45/932588145.db2.gz YPEVZEADICANNS-QFIPXVFZSA-N 2 2 384.524 3.999 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc(Cl)cc1Cl ZINC000559313064 932592381 /nfs/dbraw/zinc/59/23/81/932592381.db2.gz YYPVNYBCOLASDM-AVYPCKFXSA-N 2 2 398.378 3.977 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc(Cl)cc1Cl ZINC000559313064 932592385 /nfs/dbraw/zinc/59/23/85/932592385.db2.gz YYPVNYBCOLASDM-AVYPCKFXSA-N 2 2 398.378 3.977 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc(Cl)cc1Cl ZINC000559313064 932592390 /nfs/dbraw/zinc/59/23/90/932592390.db2.gz YYPVNYBCOLASDM-AVYPCKFXSA-N 2 2 398.378 3.977 20 0 GHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc(Cl)cc1Cl ZINC000559313064 932592401 /nfs/dbraw/zinc/59/24/01/932592401.db2.gz YYPVNYBCOLASDM-AVYPCKFXSA-N 2 2 398.378 3.977 20 0 GHADLP C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1=O ZINC000559323773 932600777 /nfs/dbraw/zinc/60/07/77/932600777.db2.gz OHXOJSKLHFCMCR-FOIQADDNSA-N 2 2 398.507 3.915 20 0 GHADLP C[C@@H](CCO)[N@@H+](Cc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560165579 933103369 /nfs/dbraw/zinc/10/33/69/933103369.db2.gz FNLLINNRWUFCDB-XUZZJYLKSA-N 2 2 382.548 3.551 20 0 GHADLP C[C@@H](CCO)[N@H+](Cc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560165579 933103372 /nfs/dbraw/zinc/10/33/72/933103372.db2.gz FNLLINNRWUFCDB-XUZZJYLKSA-N 2 2 382.548 3.551 20 0 GHADLP C[C@@H](CCO)[NH+](Cc1ccccc1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000560165579 933103375 /nfs/dbraw/zinc/10/33/75/933103375.db2.gz FNLLINNRWUFCDB-XUZZJYLKSA-N 2 2 382.548 3.551 20 0 GHADLP C[C@@H](CCO)[NH+](Cc1ccccc1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000560165579 933103378 /nfs/dbraw/zinc/10/33/78/933103378.db2.gz FNLLINNRWUFCDB-XUZZJYLKSA-N 2 2 382.548 3.551 20 0 GHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001116289017 933460369 /nfs/dbraw/zinc/46/03/69/933460369.db2.gz MFVXXXPMXLTKID-KRWDZBQOSA-N 2 2 387.955 3.947 20 0 GHADLP Cc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(C)n1[C@@H]1CCCOC1 ZINC001118891694 934276177 /nfs/dbraw/zinc/27/61/77/934276177.db2.gz ZKAPRBOLVKCBSQ-QGZVFWFLSA-N 2 2 379.464 3.598 20 0 GHADLP C[NH+](C)Cc1cc(-c2noc(Cc3c[nH+]cn3Cc3ccccc3)n2)ccc1F ZINC000562105862 934700560 /nfs/dbraw/zinc/70/05/60/934700560.db2.gz SBBAKWNYYVHWRL-UHFFFAOYSA-N 2 2 391.450 3.773 20 0 GHADLP CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001121706079 934743636 /nfs/dbraw/zinc/74/36/36/934743636.db2.gz CNYXBXNLUCONID-FPOVZHCZSA-N 2 2 396.583 3.556 20 0 GHADLP CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001121706079 934743640 /nfs/dbraw/zinc/74/36/40/934743640.db2.gz CNYXBXNLUCONID-FPOVZHCZSA-N 2 2 396.583 3.556 20 0 GHADLP C[C@H](C(=O)N1C[C@@H](C)[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC001137552981 935581469 /nfs/dbraw/zinc/58/14/69/935581469.db2.gz JBJAOHHLQSUESD-NJDAHSKKSA-N 2 2 391.559 3.555 20 0 GHADLP C[C@H](C(=O)N1C[C@@H](C)[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC001137552981 935581477 /nfs/dbraw/zinc/58/14/77/935581477.db2.gz JBJAOHHLQSUESD-NJDAHSKKSA-N 2 2 391.559 3.555 20 0 GHADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC001137552981 935581482 /nfs/dbraw/zinc/58/14/82/935581482.db2.gz JBJAOHHLQSUESD-NJDAHSKKSA-N 2 2 391.559 3.555 20 0 GHADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC001137552981 935581485 /nfs/dbraw/zinc/58/14/85/935581485.db2.gz JBJAOHHLQSUESD-NJDAHSKKSA-N 2 2 391.559 3.555 20 0 GHADLP COc1ccc(F)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001137995245 935914991 /nfs/dbraw/zinc/91/49/91/935914991.db2.gz YJBAPOHJZGODCM-LXBDKUERSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001137995245 935914993 /nfs/dbraw/zinc/91/49/93/935914993.db2.gz YJBAPOHJZGODCM-LXBDKUERSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)c(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001137995245 935914995 /nfs/dbraw/zinc/91/49/95/935914995.db2.gz YJBAPOHJZGODCM-LXBDKUERSA-N 2 2 383.511 3.962 20 0 GHADLP COc1ccc(F)c(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001137995245 935914996 /nfs/dbraw/zinc/91/49/96/935914996.db2.gz YJBAPOHJZGODCM-LXBDKUERSA-N 2 2 383.511 3.962 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)OC(C)(C)C ZINC000830463068 935950459 /nfs/dbraw/zinc/95/04/59/935950459.db2.gz GQSYRJXKZHCPCH-HXUWFJFHSA-N 2 2 384.524 3.706 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)OC(C)(C)C ZINC000830463068 935950461 /nfs/dbraw/zinc/95/04/61/935950461.db2.gz GQSYRJXKZHCPCH-HXUWFJFHSA-N 2 2 384.524 3.706 20 0 GHADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001138051000 935954695 /nfs/dbraw/zinc/95/46/95/935954695.db2.gz XCSJNEAXMNVYIE-UHFFFAOYSA-N 2 2 380.838 3.676 20 0 GHADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001138051000 935954696 /nfs/dbraw/zinc/95/46/96/935954696.db2.gz XCSJNEAXMNVYIE-UHFFFAOYSA-N 2 2 380.838 3.676 20 0 GHADLP CN(C)[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC001461001838 1069328649 /nfs/dbraw/zinc/32/86/49/1069328649.db2.gz YVWZURMOYLRKHF-BJKOFHAPSA-N 2 2 377.576 3.946 20 0 GHADLP CN(C)[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC001461001838 1069328634 /nfs/dbraw/zinc/32/86/34/1069328634.db2.gz YVWZURMOYLRKHF-BJKOFHAPSA-N 2 2 377.576 3.946 20 0 GHADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000469087199 1016448962 /nfs/dbraw/zinc/44/89/62/1016448962.db2.gz VUPNPXUNVUMVER-GJZGRUSLSA-N 2 2 379.346 3.753 20 0 GHADLP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000925177686 1017044703 /nfs/dbraw/zinc/04/47/03/1017044703.db2.gz DLYOCFDEFAGCEH-HNKPZJSLSA-N 2 2 394.494 3.699 20 0 GHADLP c1ccc(C[N@H+]2C[C@H](CNc3cccc(C4CC4)[nH+]3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155361744 1032519070 /nfs/dbraw/zinc/51/90/70/1032519070.db2.gz NEGXXELDKQHTTJ-NRFANRHFSA-N 3 2 376.548 3.873 20 0 GHADLP c1ccc(C[N@@H+]2C[C@H](CNc3cccc(C4CC4)[nH+]3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155361744 1032519073 /nfs/dbraw/zinc/51/90/73/1032519073.db2.gz NEGXXELDKQHTTJ-NRFANRHFSA-N 3 2 376.548 3.873 20 0 GHADLP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001155684827 1032638655 /nfs/dbraw/zinc/63/86/55/1032638655.db2.gz OFKZFJOESKGRCF-IBGZPJMESA-N 2 2 396.510 3.536 20 0 GHADLP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001155684827 1032638664 /nfs/dbraw/zinc/63/86/64/1032638664.db2.gz OFKZFJOESKGRCF-IBGZPJMESA-N 2 2 396.510 3.536 20 0 GHADLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC001204225499 1032673488 /nfs/dbraw/zinc/67/34/88/1032673488.db2.gz YNJLNCLQGUKODU-KRWDZBQOSA-N 2 2 376.447 3.813 20 0 GHADLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC001204225499 1032673497 /nfs/dbraw/zinc/67/34/97/1032673497.db2.gz YNJLNCLQGUKODU-KRWDZBQOSA-N 2 2 376.447 3.813 20 0 GHADLP CC(C)[C@@H]1N(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC12CCCCCC2 ZINC001228041560 1032748748 /nfs/dbraw/zinc/74/87/48/1032748748.db2.gz AFVSAEGHSKGGGX-FPOVZHCZSA-N 2 2 390.616 3.545 20 0 GHADLP CC(C)[C@@H]1N(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC12CCCCCC2 ZINC001228041560 1032748763 /nfs/dbraw/zinc/74/87/63/1032748763.db2.gz AFVSAEGHSKGGGX-FPOVZHCZSA-N 2 2 390.616 3.545 20 0 GHADLP Fc1cccc(OC(F)(F)F)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000562847618 1018705004 /nfs/dbraw/zinc/70/50/04/1018705004.db2.gz LEGZESUWSAVCFZ-UHFFFAOYSA-N 2 2 390.421 3.801 20 0 GHADLP CC1(C)C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)Cc2ccccc21 ZINC001204346889 1032784844 /nfs/dbraw/zinc/78/48/44/1032784844.db2.gz DPPZTPCLQWRXGL-UHFFFAOYSA-N 2 2 380.532 3.691 20 0 GHADLP CCOc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1OC ZINC001204361309 1032800223 /nfs/dbraw/zinc/80/02/23/1032800223.db2.gz FEUSLLNZSZBMID-SZPZYZBQSA-N 2 2 380.532 3.966 20 0 GHADLP CCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1OC ZINC001204361309 1032800245 /nfs/dbraw/zinc/80/02/45/1032800245.db2.gz FEUSLLNZSZBMID-SZPZYZBQSA-N 2 2 380.532 3.966 20 0 GHADLP CCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)cc1OC ZINC001204361309 1032800264 /nfs/dbraw/zinc/80/02/64/1032800264.db2.gz FEUSLLNZSZBMID-SZPZYZBQSA-N 2 2 380.532 3.966 20 0 GHADLP CCOc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)cc1OC ZINC001204361309 1032800284 /nfs/dbraw/zinc/80/02/84/1032800284.db2.gz FEUSLLNZSZBMID-SZPZYZBQSA-N 2 2 380.532 3.966 20 0 GHADLP Cc1[nH+]ccn1CCNc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001156010383 1032839617 /nfs/dbraw/zinc/83/96/17/1032839617.db2.gz KNPCDGNOZCTHSZ-UHFFFAOYSA-N 2 2 396.564 3.783 20 0 GHADLP COc1ccccc1[C@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000576417053 1020010167 /nfs/dbraw/zinc/01/01/67/1020010167.db2.gz NZTCJUWIZNLPLB-VXKWHMMOSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccccc1[C@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000576417053 1020010176 /nfs/dbraw/zinc/01/01/76/1020010176.db2.gz NZTCJUWIZNLPLB-VXKWHMMOSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccccc1[C@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000576417053 1020010186 /nfs/dbraw/zinc/01/01/86/1020010186.db2.gz NZTCJUWIZNLPLB-VXKWHMMOSA-N 2 2 380.532 3.776 20 0 GHADLP COc1ccccc1[C@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000576417053 1020010198 /nfs/dbraw/zinc/01/01/98/1020010198.db2.gz NZTCJUWIZNLPLB-VXKWHMMOSA-N 2 2 380.532 3.776 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000576594043 1020040820 /nfs/dbraw/zinc/04/08/20/1020040820.db2.gz BOQONRHYZOESEP-PZJWPPBQSA-N 2 2 394.563 3.871 20 0 GHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000576594043 1020040833 /nfs/dbraw/zinc/04/08/33/1020040833.db2.gz BOQONRHYZOESEP-PZJWPPBQSA-N 2 2 394.563 3.871 20 0 GHADLP O=C1c2cccc(Cl)c2CN1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000795436016 1021062975 /nfs/dbraw/zinc/06/29/75/1021062975.db2.gz FADGAULMYVTBLZ-UHFFFAOYSA-N 2 2 375.944 3.841 20 0 GHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccccc3OC(F)F)CC2)c1 ZINC000642198089 1021087127 /nfs/dbraw/zinc/08/71/27/1021087127.db2.gz RVEPOLBXYSTENH-UHFFFAOYSA-N 2 2 389.490 3.898 20 0 GHADLP Cc1ccc(Cl)nc1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001140444730 1021729770 /nfs/dbraw/zinc/72/97/70/1021729770.db2.gz MBJDASPVQHYPIZ-UHFFFAOYSA-N 2 2 391.968 3.972 20 0 GHADLP Cc1ccc(Cl)nc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001140444730 1021729796 /nfs/dbraw/zinc/72/97/96/1021729796.db2.gz MBJDASPVQHYPIZ-UHFFFAOYSA-N 2 2 391.968 3.972 20 0 GHADLP c1csc(-c2ccccc2C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)n1 ZINC001140451234 1021739040 /nfs/dbraw/zinc/73/90/40/1021739040.db2.gz JPOYWWNGLTWBRM-RTBURBONSA-N 2 2 376.529 3.769 20 0 GHADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC000749126536 1021751166 /nfs/dbraw/zinc/75/11/66/1021751166.db2.gz NIFZCVVUJFGWGR-OAQYLSRUSA-N 2 2 389.584 3.929 20 0 GHADLP CN(C(=O)c1cc2ccsc2[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677291116 1021813854 /nfs/dbraw/zinc/81/38/54/1021813854.db2.gz UJSDZXBYJKFGAC-RBUKOAKNSA-N 2 2 388.581 3.639 20 0 GHADLP CN(C(=O)c1cc2ccsc2[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677291116 1021813872 /nfs/dbraw/zinc/81/38/72/1021813872.db2.gz UJSDZXBYJKFGAC-RBUKOAKNSA-N 2 2 388.581 3.639 20 0 GHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]Cc3cccc4cnccc43)CC2)cc1 ZINC000679929168 1022062382 /nfs/dbraw/zinc/06/23/82/1022062382.db2.gz VVBSLKVIFQMBLY-UHFFFAOYSA-N 2 2 388.559 3.922 20 0 GHADLP CC(C)c1ccc2c(c1)[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000681802313 1022329759 /nfs/dbraw/zinc/32/97/59/1022329759.db2.gz JHWZLBPGETVGIV-JTHBVZDNSA-N 2 2 398.595 3.607 20 0 GHADLP CC(C)c1ccc2c(c1)[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000681802313 1022329772 /nfs/dbraw/zinc/32/97/72/1022329772.db2.gz JHWZLBPGETVGIV-JTHBVZDNSA-N 2 2 398.595 3.607 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000245832750 1033062740 /nfs/dbraw/zinc/06/27/40/1033062740.db2.gz GNPMZGRIVSWBRI-APWZRJJASA-N 2 2 386.927 3.524 20 0 GHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000245832750 1033062754 /nfs/dbraw/zinc/06/27/54/1033062754.db2.gz GNPMZGRIVSWBRI-APWZRJJASA-N 2 2 386.927 3.524 20 0 GHADLP CC(C)(C)OC(=O)c1ccc(N2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)cc1 ZINC001140805879 1022580042 /nfs/dbraw/zinc/58/00/42/1022580042.db2.gz PJCIOVYNDTVETO-UHFFFAOYSA-N 2 2 392.503 3.840 20 0 GHADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]([C@H](C)c3ccco3)C3CC3)cc2)CC1 ZINC000754874303 1022944545 /nfs/dbraw/zinc/94/45/45/1022944545.db2.gz YLTRFWZYGKUOED-GOSISDBHSA-N 2 2 396.535 3.586 20 0 GHADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]([C@H](C)c3ccco3)C3CC3)cc2)CC1 ZINC000754874303 1022944551 /nfs/dbraw/zinc/94/45/51/1022944551.db2.gz YLTRFWZYGKUOED-GOSISDBHSA-N 2 2 396.535 3.586 20 0 GHADLP CC1CCC(=CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000755205460 1023125990 /nfs/dbraw/zinc/12/59/90/1023125990.db2.gz JAWDSVNCMSKMLB-VRJTXETASA-N 2 2 375.601 3.919 20 0 GHADLP CC1CCC(=CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000755205460 1023125995 /nfs/dbraw/zinc/12/59/95/1023125995.db2.gz JAWDSVNCMSKMLB-VRJTXETASA-N 2 2 375.601 3.919 20 0 GHADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000245898156 1033127196 /nfs/dbraw/zinc/12/71/96/1033127196.db2.gz PORYGOQJMWRQTA-MOPGFXCFSA-N 2 2 390.531 3.705 20 0 GHADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc2ccccc2c1 ZINC000245898156 1033127203 /nfs/dbraw/zinc/12/72/03/1033127203.db2.gz PORYGOQJMWRQTA-MOPGFXCFSA-N 2 2 390.531 3.705 20 0 GHADLP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141048293 1023384750 /nfs/dbraw/zinc/38/47/50/1023384750.db2.gz IKJPRONJBWQROH-LJQANCHMSA-N 3 2 396.560 3.651 20 0 GHADLP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141048293 1023384760 /nfs/dbraw/zinc/38/47/60/1023384760.db2.gz IKJPRONJBWQROH-LJQANCHMSA-N 3 2 396.560 3.651 20 0 GHADLP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1F ZINC001141221798 1024180359 /nfs/dbraw/zinc/18/03/59/1024180359.db2.gz YKRINTUJKFJYGV-DZFGPLHGSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1F ZINC001141221798 1024180363 /nfs/dbraw/zinc/18/03/63/1024180363.db2.gz YKRINTUJKFJYGV-DZFGPLHGSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1F ZINC001141221798 1024180370 /nfs/dbraw/zinc/18/03/70/1024180370.db2.gz YKRINTUJKFJYGV-DZFGPLHGSA-N 2 2 383.511 3.962 20 0 GHADLP COc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1F ZINC001141221798 1024180377 /nfs/dbraw/zinc/18/03/77/1024180377.db2.gz YKRINTUJKFJYGV-DZFGPLHGSA-N 2 2 383.511 3.962 20 0 GHADLP C[C@H]([NH2+]Cc1cc(Br)cnc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001205007678 1033205958 /nfs/dbraw/zinc/20/59/58/1033205958.db2.gz MEUZNEMCRPQKRZ-HOCLYGCPSA-N 2 2 392.316 3.983 20 0 GHADLP C[C@H]([NH2+]Cc1cc(Br)cnc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001205007678 1033205974 /nfs/dbraw/zinc/20/59/74/1033205974.db2.gz MEUZNEMCRPQKRZ-HOCLYGCPSA-N 2 2 392.316 3.983 20 0 GHADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)c(OCc3ccccc3)c2)C1 ZINC001205017327 1033210491 /nfs/dbraw/zinc/21/04/91/1033210491.db2.gz NALIYLNLIBMLOX-IBGZPJMESA-N 2 2 384.520 3.714 20 0 GHADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)c(OCc3ccccc3)c2)C1 ZINC001205017327 1033210500 /nfs/dbraw/zinc/21/05/00/1033210500.db2.gz NALIYLNLIBMLOX-IBGZPJMESA-N 2 2 384.520 3.714 20 0 GHADLP CCN(CC)c1ncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)s1 ZINC001138801250 1025388981 /nfs/dbraw/zinc/38/89/81/1025388981.db2.gz OQTPSKUSPDVUKR-BGYRXZFFSA-N 2 2 384.593 3.862 20 0 GHADLP CCN(CC)c1ncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)s1 ZINC001138801250 1025388994 /nfs/dbraw/zinc/38/89/94/1025388994.db2.gz OQTPSKUSPDVUKR-BGYRXZFFSA-N 2 2 384.593 3.862 20 0 GHADLP CCN(CC)c1ncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)s1 ZINC001138801250 1025389011 /nfs/dbraw/zinc/38/90/11/1025389011.db2.gz OQTPSKUSPDVUKR-BGYRXZFFSA-N 2 2 384.593 3.862 20 0 GHADLP CCN(CC)c1ncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)s1 ZINC001138801250 1025389024 /nfs/dbraw/zinc/38/90/24/1025389024.db2.gz OQTPSKUSPDVUKR-BGYRXZFFSA-N 2 2 384.593 3.862 20 0 GHADLP COc1cc(OC(F)(F)F)ccc1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001138851941 1025470065 /nfs/dbraw/zinc/47/00/65/1025470065.db2.gz GWIDUIDEENGLOT-UHFFFAOYSA-N 2 2 381.398 3.619 20 0 GHADLP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001138852724 1025473124 /nfs/dbraw/zinc/47/31/24/1025473124.db2.gz YMKROIVTYWZEHD-MRXNPFEDSA-N 2 2 382.382 3.951 20 0 GHADLP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001138852724 1025473141 /nfs/dbraw/zinc/47/31/41/1025473141.db2.gz YMKROIVTYWZEHD-MRXNPFEDSA-N 2 2 382.382 3.951 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnc4ccccc4n3)C[C@H]21 ZINC001138866639 1025492910 /nfs/dbraw/zinc/49/29/10/1025492910.db2.gz SSRBKGPPORLTEB-SNYIIPAISA-N 2 2 387.531 3.757 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnc4ccccc4n3)C[C@H]21 ZINC001138866639 1025492919 /nfs/dbraw/zinc/49/29/19/1025492919.db2.gz SSRBKGPPORLTEB-SNYIIPAISA-N 2 2 387.531 3.757 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cnc4ccccc4n3)C[C@H]21 ZINC001138866639 1025492925 /nfs/dbraw/zinc/49/29/25/1025492925.db2.gz SSRBKGPPORLTEB-SNYIIPAISA-N 2 2 387.531 3.757 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc4ccccc4n3)C[C@H]21 ZINC001138866639 1025492934 /nfs/dbraw/zinc/49/29/34/1025492934.db2.gz SSRBKGPPORLTEB-SNYIIPAISA-N 2 2 387.531 3.757 20 0 GHADLP CCCN(CCC)c1cc(NC2(c3cccc(OC)c3)CC[NH2+]CC2)[nH+]cn1 ZINC001161996693 1025529466 /nfs/dbraw/zinc/52/94/66/1025529466.db2.gz RTKWXPUECSSUPT-UHFFFAOYSA-N 2 2 383.540 3.802 20 0 GHADLP CCCN(CCC)c1cc(NC2(c3cccc(OC)c3)CC[NH2+]CC2)nc[nH+]1 ZINC001161996693 1025529471 /nfs/dbraw/zinc/52/94/71/1025529471.db2.gz RTKWXPUECSSUPT-UHFFFAOYSA-N 2 2 383.540 3.802 20 0 GHADLP CCCCOc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)OC)C3)CC2)c1 ZINC001138957459 1025655286 /nfs/dbraw/zinc/65/52/86/1025655286.db2.gz FZECDLJNZKTCBN-HXUWFJFHSA-N 2 2 388.552 3.715 20 0 GHADLP CCCCOc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)OC)C3)CC2)c1 ZINC001138957459 1025655298 /nfs/dbraw/zinc/65/52/98/1025655298.db2.gz FZECDLJNZKTCBN-HXUWFJFHSA-N 2 2 388.552 3.715 20 0 GHADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1ccccc1Oc1ccccc1)CC2 ZINC001139053765 1025842088 /nfs/dbraw/zinc/84/20/88/1025842088.db2.gz SVFLCBVGWCTCGF-UHFFFAOYSA-N 2 2 393.531 3.655 20 0 GHADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1ccccc1Oc1ccccc1)CC2 ZINC001139053765 1025842113 /nfs/dbraw/zinc/84/21/13/1025842113.db2.gz SVFLCBVGWCTCGF-UHFFFAOYSA-N 2 2 393.531 3.655 20 0 GHADLP Cc1cccc(OC2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)c1 ZINC001139059350 1025848388 /nfs/dbraw/zinc/84/83/88/1025848388.db2.gz YCWPFOLYDAAQKC-UHFFFAOYSA-N 2 2 380.532 3.871 20 0 GHADLP c1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@@H](C4CCOCC4)C3)CC2)cc1 ZINC001461035954 1069350599 /nfs/dbraw/zinc/35/05/99/1069350599.db2.gz RFGAOGIQHUNPNR-DHIUTWEWSA-N 2 2 385.596 3.774 20 0 GHADLP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC001162731944 1025895713 /nfs/dbraw/zinc/89/57/13/1025895713.db2.gz AZHUYIWYNIZNNC-OAQYLSRUSA-N 2 2 380.492 3.569 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc4cccnc4c2)CC3)cn1 ZINC001139170632 1025994242 /nfs/dbraw/zinc/99/42/42/1025994242.db2.gz NSEUMDGHVDAEER-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccc4cccnc4c2)CC3)cn1 ZINC001139170632 1025994247 /nfs/dbraw/zinc/99/42/47/1025994247.db2.gz NSEUMDGHVDAEER-UHFFFAOYSA-N 2 2 375.520 3.599 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3c3ccc(Cl)cc3)s2)CC1 ZINC001139324635 1026182656 /nfs/dbraw/zinc/18/26/56/1026182656.db2.gz JQSLIMIQYLLZJY-GOSISDBHSA-N 2 2 376.957 3.885 20 0 GHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3c3ccc(Cl)cc3)s2)CC1 ZINC001139324635 1026182664 /nfs/dbraw/zinc/18/26/64/1026182664.db2.gz JQSLIMIQYLLZJY-GOSISDBHSA-N 2 2 376.957 3.885 20 0 GHADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(c4ccccc4Cl)CC3)s2)CC1 ZINC001139325737 1026183961 /nfs/dbraw/zinc/18/39/61/1026183961.db2.gz YGFZQSAMIJZWHY-UHFFFAOYSA-N 2 2 390.984 3.928 20 0 GHADLP Clc1cnc(Cl)c(C[NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)c1 ZINC001139352193 1026222981 /nfs/dbraw/zinc/22/29/81/1026222981.db2.gz JYMKOEWVXLOATE-UHFFFAOYSA-N 2 2 393.318 3.655 20 0 GHADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2cc(Cl)cnc2Cl)CC3)n1 ZINC001139353598 1026225935 /nfs/dbraw/zinc/22/59/35/1026225935.db2.gz URAXWOSGQLHJOU-UHFFFAOYSA-N 2 2 394.350 3.753 20 0 GHADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2cc(Cl)cnc2Cl)CC3)n1 ZINC001139353598 1026225944 /nfs/dbraw/zinc/22/59/44/1026225944.db2.gz URAXWOSGQLHJOU-UHFFFAOYSA-N 2 2 394.350 3.753 20 0 GHADLP Brc1ccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC001139356141 1026228325 /nfs/dbraw/zinc/22/83/25/1026228325.db2.gz FLXVSMIJRNJFNJ-UHFFFAOYSA-N 2 2 397.320 3.957 20 0 GHADLP CC[NH+]1CCN(c2ccc(NCc3cc(-n4cc[nH+]c4)cs3)c(C)c2)CC1 ZINC001461084961 1069381683 /nfs/dbraw/zinc/38/16/83/1069381683.db2.gz KCOPYYRMMOJWSC-UHFFFAOYSA-N 2 2 381.549 3.996 20 0 GHADLP C[NH+](C)C1(CNc2ncnc3sc(-c4ccccc4)cc32)CC[NH+](C)CC1 ZINC001164206898 1026452498 /nfs/dbraw/zinc/45/24/98/1026452498.db2.gz JQEJUSSSJLXVHC-UHFFFAOYSA-N 2 2 381.549 3.796 20 0 GHADLP c1ccc2c(c1)sc1c2cccc1C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001139845514 1026663963 /nfs/dbraw/zinc/66/39/63/1026663963.db2.gz SVYXGPPRRUQPEB-UHFFFAOYSA-N 2 2 395.572 3.504 20 0 GHADLP Cc1[nH+]c2c(n1-c1ncnc3scc(-c4ccc(C)cc4)c31)CC[NH2+]CC2 ZINC001165353332 1026710549 /nfs/dbraw/zinc/71/05/49/1026710549.db2.gz OYKJGIDGEMKRKY-UHFFFAOYSA-N 2 2 375.501 3.849 20 0 GHADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC001461148186 1069413634 /nfs/dbraw/zinc/41/36/34/1069413634.db2.gz UGDWCSXORYMGPH-UHFFFAOYSA-N 2 2 389.927 3.632 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCc3ccc(O)cc32)c2c1OC(F)(F)O2 ZINC001203180727 1027225524 /nfs/dbraw/zinc/22/55/24/1027225524.db2.gz AGZDYVVWAMGSTH-KRWDZBQOSA-N 2 2 376.403 3.552 20 0 GHADLP Fc1cccc(Cl)c1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001203404042 1027316158 /nfs/dbraw/zinc/31/61/58/1027316158.db2.gz UKZDYKYRIRRMMT-UHFFFAOYSA-N 2 2 376.907 3.720 20 0 GHADLP Fc1cccc(Cl)c1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001203404042 1027316178 /nfs/dbraw/zinc/31/61/78/1027316178.db2.gz UKZDYKYRIRRMMT-UHFFFAOYSA-N 2 2 376.907 3.720 20 0 GHADLP Brc1ccc2c(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc[nH+]c2c1 ZINC001210262883 1027412081 /nfs/dbraw/zinc/41/20/81/1027412081.db2.gz NUZNGMLCXRXVRX-UHFFFAOYSA-N 3 2 384.281 3.546 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2noc3ccccc23)c2c1OC(F)(F)O2 ZINC001203652214 1027507258 /nfs/dbraw/zinc/50/72/58/1027507258.db2.gz QOOCYYZOXBVESQ-UHFFFAOYSA-N 2 2 375.375 3.501 20 0 GHADLP FC(F)(F)c1ccccc1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001203689554 1027534472 /nfs/dbraw/zinc/53/44/72/1027534472.db2.gz BGGTXRSMRTYSCQ-UHFFFAOYSA-N 2 2 392.469 3.946 20 0 GHADLP FC(F)(F)c1ccccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001203689554 1027534490 /nfs/dbraw/zinc/53/44/90/1027534490.db2.gz BGGTXRSMRTYSCQ-UHFFFAOYSA-N 2 2 392.469 3.946 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3cc(C)c(OC)cc3C)CC2)CC1 ZINC001203755077 1027578447 /nfs/dbraw/zinc/57/84/47/1027578447.db2.gz JWMTZTZSOKTNIA-UHFFFAOYSA-N 2 2 388.552 3.552 20 0 GHADLP CCCCOc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)OC)C3)CC2)cc1 ZINC001203971593 1027772887 /nfs/dbraw/zinc/77/28/87/1027772887.db2.gz DOYPDONYZSLXHN-FQEVSTJZSA-N 2 2 388.552 3.715 20 0 GHADLP CCCCOc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)OC)C3)CC2)cc1 ZINC001203971593 1027772892 /nfs/dbraw/zinc/77/28/92/1027772892.db2.gz DOYPDONYZSLXHN-FQEVSTJZSA-N 2 2 388.552 3.715 20 0 GHADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001204089473 1027866278 /nfs/dbraw/zinc/86/62/78/1027866278.db2.gz NWHAAIYTNAGMDL-DOPJRALCSA-N 2 2 379.335 3.917 20 0 GHADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001204089473 1027866301 /nfs/dbraw/zinc/86/63/01/1027866301.db2.gz NWHAAIYTNAGMDL-DOPJRALCSA-N 2 2 379.335 3.917 20 0 GHADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001142046683 1027950414 /nfs/dbraw/zinc/95/04/14/1027950414.db2.gz IFUBRCPFCANSMB-UHFFFAOYSA-N 2 2 380.536 3.529 20 0 GHADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001142046683 1027950415 /nfs/dbraw/zinc/95/04/15/1027950415.db2.gz IFUBRCPFCANSMB-UHFFFAOYSA-N 2 2 380.536 3.529 20 0 GHADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000841089612 1028115928 /nfs/dbraw/zinc/11/59/28/1028115928.db2.gz OUDJUPLETXQTGF-QGZVFWFLSA-N 2 2 376.907 3.797 20 0 GHADLP Fc1cc(OCC[NH+]2CCOCC2)ccc1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001213482878 1028215506 /nfs/dbraw/zinc/21/55/06/1028215506.db2.gz ADIQOPIFFAVJDK-UHFFFAOYSA-N 2 2 399.510 3.876 20 0 GHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(OC(F)(F)F)cc3)[nH+]c2)C1 ZINC001461357346 1069516377 /nfs/dbraw/zinc/51/63/77/1069516377.db2.gz RITIWUUBLFNSHW-INIZCTEOSA-N 2 2 380.414 3.733 20 0 GHADLP CCc1cccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842678823 1029484335 /nfs/dbraw/zinc/48/43/35/1029484335.db2.gz DETDOTBBGAUAQQ-QFIPXVFZSA-N 2 2 377.532 3.974 20 0 GHADLP CCc1cccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842678823 1029484341 /nfs/dbraw/zinc/48/43/41/1029484341.db2.gz DETDOTBBGAUAQQ-QFIPXVFZSA-N 2 2 377.532 3.974 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)C[C@H]2C1 ZINC000842701998 1029512338 /nfs/dbraw/zinc/51/23/38/1029512338.db2.gz FGZZAWWIYHGVAA-CGBFIWBNSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CCCC[N@H+]3C3CC3)C[C@H]2C1 ZINC000842701998 1029512349 /nfs/dbraw/zinc/51/23/49/1029512349.db2.gz FGZZAWWIYHGVAA-CGBFIWBNSA-N 2 2 377.573 3.629 20 0 GHADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@H](Cn3cc[nH+]c3)C(C)(C)C)C[C@@H]2C1 ZINC000842831185 1029616100 /nfs/dbraw/zinc/61/61/00/1029616100.db2.gz QZBYIFYYIFJULB-ZSYWTGECSA-N 2 2 390.572 3.923 20 0 GHADLP C[N@H+](CC(=O)c1cccc(O[C@H]2CCC[C@]23CC[NH2+]C3)c1)Cc1ccccc1 ZINC001218093682 1030766925 /nfs/dbraw/zinc/76/69/25/1030766925.db2.gz KIIXMSONWVESCE-BJKOFHAPSA-N 2 2 378.516 3.912 20 0 GHADLP C[N@@H+](CC(=O)c1cccc(O[C@H]2CCC[C@]23CC[NH2+]C3)c1)Cc1ccccc1 ZINC001218093682 1030766943 /nfs/dbraw/zinc/76/69/43/1030766943.db2.gz KIIXMSONWVESCE-BJKOFHAPSA-N 2 2 378.516 3.912 20 0 GHADLP Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1-n1cc[nH+]c1)CC21CC[NH2+]CC1 ZINC001219762996 1031604139 /nfs/dbraw/zinc/60/41/39/1031604139.db2.gz XPCIPBOFJCQJPY-OAQYLSRUSA-N 2 2 386.499 3.677 20 0 GHADLP Cc1[nH+]c(N)ccc1CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001220071603 1031768802 /nfs/dbraw/zinc/76/88/02/1031768802.db2.gz KSGGAXFYZVIOHF-FQEVSTJZSA-N 2 2 386.927 3.859 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1[NH2+]Cc2ccccc21)c1ccc(Cl)cc1Cl ZINC001220532354 1031979639 /nfs/dbraw/zinc/97/96/39/1031979639.db2.gz GWHIMISWHJHFKT-ROUUACIJSA-N 2 2 378.303 3.557 20 0 GHADLP C[N@H+]1Cc2c(NC(=O)c3ccc4[nH+]c(N)[nH]c4c3)cccc2[C@H](c2ccccc2)C1 ZINC001156975603 1033351558 /nfs/dbraw/zinc/35/15/58/1033351558.db2.gz RZJLHKKKGZBTKL-SFHVURJKSA-N 2 2 397.482 3.975 20 0 GHADLP C[N@@H+]1Cc2c(NC(=O)c3ccc4[nH+]c(N)[nH]c4c3)cccc2[C@H](c2ccccc2)C1 ZINC001156975603 1033351578 /nfs/dbraw/zinc/35/15/78/1033351578.db2.gz RZJLHKKKGZBTKL-SFHVURJKSA-N 2 2 397.482 3.975 20 0 GHADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)C1CC1 ZINC001205488935 1033436969 /nfs/dbraw/zinc/43/69/69/1033436969.db2.gz FLBXPVRJQPGCQU-IMSXRSKXSA-N 2 2 399.579 3.744 20 0 GHADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)C1CC1 ZINC001205488935 1033436977 /nfs/dbraw/zinc/43/69/77/1033436977.db2.gz FLBXPVRJQPGCQU-IMSXRSKXSA-N 2 2 399.579 3.744 20 0 GHADLP Cc1cccn2cc(CCNC(=O)NC[C@@H]3CCC[N@@H+]3CC3CCCCC3)[nH+]c12 ZINC001229431984 1033477922 /nfs/dbraw/zinc/47/79/22/1033477922.db2.gz JYHLFHDXBLQFCU-NRFANRHFSA-N 2 2 397.567 3.529 20 0 GHADLP Cc1cccn2cc(CCNC(=O)NC[C@@H]3CCC[N@H+]3CC3CCCCC3)[nH+]c12 ZINC001229431984 1033477928 /nfs/dbraw/zinc/47/79/28/1033477928.db2.gz JYHLFHDXBLQFCU-NRFANRHFSA-N 2 2 397.567 3.529 20 0 GHADLP COc1cc(C)c(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC001205788477 1033571193 /nfs/dbraw/zinc/57/11/93/1033571193.db2.gz NPDGHSSOOJPUOK-IBGZPJMESA-N 2 2 390.474 3.999 20 0 GHADLP COc1cc(C)c(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC001205788477 1033571202 /nfs/dbraw/zinc/57/12/02/1033571202.db2.gz NPDGHSSOOJPUOK-IBGZPJMESA-N 2 2 390.474 3.999 20 0 GHADLP C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])C(c2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC001157496550 1033620568 /nfs/dbraw/zinc/62/05/68/1033620568.db2.gz XEJVDAMZJSBPKX-NOZRDPDXSA-N 2 2 399.538 3.661 20 0 GHADLP C[N@H+]1CCN(C(=O)[C@@H]([NH3+])C(c2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC001157496550 1033620581 /nfs/dbraw/zinc/62/05/81/1033620581.db2.gz XEJVDAMZJSBPKX-NOZRDPDXSA-N 2 2 399.538 3.661 20 0 GHADLP Cc1cc2[nH]ccc2c(N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)[nH+]1 ZINC001157535270 1033645955 /nfs/dbraw/zinc/64/59/55/1033645955.db2.gz JYYVEVGXTZHDJM-UHFFFAOYSA-N 2 2 376.386 3.570 20 0 GHADLP CCC[NH+]1C[C@@H]2CN(c3[nH+]cnc4c3c(C)c(C)n4Cc3ccccc3)C[C@H]2C1 ZINC001157701041 1033730307 /nfs/dbraw/zinc/73/03/07/1033730307.db2.gz ZFLANWRJJNYVRN-NHCUHLMSSA-N 2 2 389.547 3.874 20 0 GHADLP C[C@H]1CN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)C[C@H](C)[NH2+]1 ZINC001158184275 1033955611 /nfs/dbraw/zinc/95/56/11/1033955611.db2.gz CTMFRYJDSWJUSW-GJZGRUSLSA-N 2 2 381.549 3.607 20 0 GHADLP Cc1ccc([C@@]2(C)C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCO2)cc1 ZINC001206722428 1033958371 /nfs/dbraw/zinc/95/83/71/1033958371.db2.gz LRYHHZSYJYAWJY-XMMPIXPASA-N 2 2 380.532 3.575 20 0 GHADLP Cc1ccc([C@@]2(C)C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCO2)cc1 ZINC001206722428 1033958375 /nfs/dbraw/zinc/95/83/75/1033958375.db2.gz LRYHHZSYJYAWJY-XMMPIXPASA-N 2 2 380.532 3.575 20 0 GHADLP COc1cccc([C@@H]2CSCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001206735163 1033963738 /nfs/dbraw/zinc/96/37/38/1033963738.db2.gz PETJWXSYNCMZPO-QHCPKHFHSA-N 2 2 398.572 3.818 20 0 GHADLP COc1cccc([C@@H]2CSCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001206735163 1033963743 /nfs/dbraw/zinc/96/37/43/1033963743.db2.gz PETJWXSYNCMZPO-QHCPKHFHSA-N 2 2 398.572 3.818 20 0 GHADLP O=C(OCc1ccccc1)N1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001207185565 1034154174 /nfs/dbraw/zinc/15/41/74/1034154174.db2.gz PEFNAMACLNGPEI-IFMALSPDSA-N 2 2 385.552 3.784 20 0 GHADLP O=C(OCc1ccccc1)N1CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001207185565 1034154202 /nfs/dbraw/zinc/15/42/02/1034154202.db2.gz PEFNAMACLNGPEI-IFMALSPDSA-N 2 2 385.552 3.784 20 0 GHADLP Clc1ccc([C@@H]2C[C@@H]2C[NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC001207195819 1034166420 /nfs/dbraw/zinc/16/64/20/1034166420.db2.gz HYEDRKMURGTLBH-QUCCMNQESA-N 2 2 397.954 3.656 20 0 GHADLP Cc1cc(N2CC[NH+](CCCc3ccc(Br)cc3)CC2)nc(C)[nH+]1 ZINC001207322451 1034271966 /nfs/dbraw/zinc/27/19/66/1034271966.db2.gz QEXAVWHVBDOYEU-UHFFFAOYSA-N 2 2 389.341 3.611 20 0 GHADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3CC=C(CCCC(C)(C)O)CC3)CC2)c1 ZINC001207409289 1034348345 /nfs/dbraw/zinc/34/83/45/1034348345.db2.gz BJJIKDQKKITVCR-HXUWFJFHSA-N 2 2 387.568 3.880 20 0 GHADLP CCCOc1c(F)cc(F)c(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)c1F ZINC001159323596 1034545241 /nfs/dbraw/zinc/54/52/41/1034545241.db2.gz MBKALVTYDNXFSK-UHFFFAOYSA-N 2 2 380.414 3.959 20 0 GHADLP COC(=O)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001207738912 1034550394 /nfs/dbraw/zinc/55/03/94/1034550394.db2.gz PUZYAENPLJTSJJ-UEVCKROQSA-N 2 2 380.532 3.661 20 0 GHADLP COC(=O)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001207738912 1034550402 /nfs/dbraw/zinc/55/04/02/1034550402.db2.gz PUZYAENPLJTSJJ-UEVCKROQSA-N 2 2 380.532 3.661 20 0 GHADLP CN(C)c1ccc2cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)ccc2c1 ZINC001231440166 1034588918 /nfs/dbraw/zinc/58/89/18/1034588918.db2.gz BJHXNDZNSTWJKI-GOTSBHOMSA-N 2 2 386.543 3.865 20 0 GHADLP Brc1ccc2c(C3C[NH+](Cc4c[nH]c5cnccc45)C3)[nH+]cn2c1 ZINC001231522141 1034673428 /nfs/dbraw/zinc/67/34/28/1034673428.db2.gz SOEDWGBHIZIVBV-UHFFFAOYSA-N 2 2 382.265 3.573 20 0 GHADLP CCOC(=O)C1CC[NH+](C2CC[NH+](CC[C@H](C)c3ccc(C)o3)CC2)CC1 ZINC001208158832 1034763086 /nfs/dbraw/zinc/76/30/86/1034763086.db2.gz CKBZULAPRFZIDS-KRWDZBQOSA-N 2 2 376.541 3.821 20 0 GHADLP C[N@@H+]1CCC[C@@H](C[NH+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)C1 ZINC001208608874 1034953450 /nfs/dbraw/zinc/95/34/50/1034953450.db2.gz XGOIAKMYFKZPRR-QMMLZNLJSA-N 2 2 385.552 3.547 20 0 GHADLP C[N@H+]1CCC[C@@H](C[NH+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)C1 ZINC001208608874 1034953451 /nfs/dbraw/zinc/95/34/51/1034953451.db2.gz XGOIAKMYFKZPRR-QMMLZNLJSA-N 2 2 385.552 3.547 20 0 GHADLP C[NH+]1CCC[C@@H](C[N@@H+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)C1 ZINC001208608874 1034953455 /nfs/dbraw/zinc/95/34/55/1034953455.db2.gz XGOIAKMYFKZPRR-QMMLZNLJSA-N 2 2 385.552 3.547 20 0 GHADLP C[NH+]1CCC[C@@H](C[N@H+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)C1 ZINC001208608874 1034953459 /nfs/dbraw/zinc/95/34/59/1034953459.db2.gz XGOIAKMYFKZPRR-QMMLZNLJSA-N 2 2 385.552 3.547 20 0 GHADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCC(Cc3c(F)cccc3Cl)CC2)cc1 ZINC001160644191 1035024718 /nfs/dbraw/zinc/02/47/18/1035024718.db2.gz WMTPOCGXTYPLGY-HXUWFJFHSA-N 2 2 389.902 3.533 20 0 GHADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1 ZINC001232145560 1035122814 /nfs/dbraw/zinc/12/28/14/1035122814.db2.gz BNYJKXYDOKFSKD-UHFFFAOYSA-N 2 2 379.520 3.719 20 0 GHADLP Clc1ccc(CC[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(Cl)c1 ZINC001209081071 1035165134 /nfs/dbraw/zinc/16/51/34/1035165134.db2.gz JPKGQSBYRATIJY-IRXDYDNUSA-N 2 2 376.331 3.995 20 0 GHADLP FC(F)(F)c1cccc(CC[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c1 ZINC001209115956 1035180371 /nfs/dbraw/zinc/18/03/71/1035180371.db2.gz DRMCDWZUOPZQKF-UHFFFAOYSA-N 2 2 376.382 3.539 20 0 GHADLP FC(F)(F)c1cccc(CC[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c1 ZINC001209115956 1035180375 /nfs/dbraw/zinc/18/03/75/1035180375.db2.gz DRMCDWZUOPZQKF-UHFFFAOYSA-N 2 2 376.382 3.539 20 0 GHADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccco1 ZINC001248638458 1036019965 /nfs/dbraw/zinc/01/99/65/1036019965.db2.gz KBSLBXAJKCNGNT-YSIASYRMSA-N 2 2 395.507 3.646 20 0 GHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)c(C(=O)N4CCCCC4)c3)cc2)C1 ZINC001243295652 1036100037 /nfs/dbraw/zinc/10/00/37/1036100037.db2.gz AZQYLNQYLQEXEB-HXUWFJFHSA-N 2 2 381.495 3.652 20 0 GHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)c(C(=O)N4CCCCC4)c3)cc2)C1 ZINC001243295652 1036100051 /nfs/dbraw/zinc/10/00/51/1036100051.db2.gz AZQYLNQYLQEXEB-HXUWFJFHSA-N 2 2 381.495 3.652 20 0 GHADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC001246055956 1037168360 /nfs/dbraw/zinc/16/83/60/1037168360.db2.gz NGVVMLZDQHIPPF-ZYSHUDEJSA-N 2 2 379.331 3.714 20 0 GHADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC001246055956 1037168366 /nfs/dbraw/zinc/16/83/66/1037168366.db2.gz NGVVMLZDQHIPPF-ZYSHUDEJSA-N 2 2 379.331 3.714 20 0 GHADLP COC(=O)c1ccc(C2([NH2+][C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)cc1 ZINC001246114428 1037197470 /nfs/dbraw/zinc/19/74/70/1037197470.db2.gz MDMMEYBQIZPHEB-PZJWPPBQSA-N 2 2 382.479 3.993 20 0 GHADLP COC(=O)c1ccc(C2([NH2+][C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)cc1 ZINC001246114417 1037197699 /nfs/dbraw/zinc/19/76/99/1037197699.db2.gz MDMMEYBQIZPHEB-CTNGQTDRSA-N 2 2 382.479 3.993 20 0 GHADLP OC[C@H]([NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1cc(Cl)cc(Cl)c1 ZINC001246276586 1037271015 /nfs/dbraw/zinc/27/10/15/1037271015.db2.gz CYNMHRZQDLLTDU-ZCNNSNEGSA-N 2 2 379.331 3.980 20 0 GHADLP Cc1cc(C)cc([C@@H]([NH3+])[C@H]([NH2+][C@H]2CCOC3(C[NH2+]C3)C2)c2cc(C)cc(C)c2)c1 ZINC001246336822 1037299681 /nfs/dbraw/zinc/29/96/81/1037299681.db2.gz QHBFIDHSRIVNCP-RBZQAINGSA-N 3 2 393.575 3.772 20 0 GHADLP COC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246349147 1037310857 /nfs/dbraw/zinc/31/08/57/1037310857.db2.gz HCIPRMPEJJZSJO-FNHZYXHNSA-N 2 2 385.335 3.589 20 0 GHADLP Clc1ccccc1CC1([NH2+][C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246382359 1037343367 /nfs/dbraw/zinc/34/33/67/1037343367.db2.gz WJYJRFXZEJBUIP-FGZHOGPDSA-N 3 2 397.994 3.958 20 0 GHADLP C[C@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246455244 1037416401 /nfs/dbraw/zinc/41/64/01/1037416401.db2.gz HVBJOHIGDVABPZ-XUZZJYLKSA-N 3 2 377.576 3.994 20 0 GHADLP C[C@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001246455244 1037416410 /nfs/dbraw/zinc/41/64/10/1037416410.db2.gz HVBJOHIGDVABPZ-XUZZJYLKSA-N 3 2 377.576 3.994 20 0 GHADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)CO2 ZINC001246503876 1037446122 /nfs/dbraw/zinc/44/61/22/1037446122.db2.gz MAUIXXDYKYTKCQ-AOIWGVFYSA-N 2 2 387.321 3.836 20 0 GHADLP [NH3+]C[C@]1(F)CCCC[N@@H+](C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001246579841 1037487194 /nfs/dbraw/zinc/48/71/94/1037487194.db2.gz LSQDZRNCSYFBGD-GOSISDBHSA-N 2 2 384.337 3.571 20 0 GHADLP [NH3+]C[C@]1(F)CCCC[N@H+](C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001246579841 1037487204 /nfs/dbraw/zinc/48/72/04/1037487204.db2.gz LSQDZRNCSYFBGD-GOSISDBHSA-N 2 2 384.337 3.571 20 0 GHADLP C[C@H]1CC[C@H]([N@@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)C[NH2+]1 ZINC001246657415 1037530413 /nfs/dbraw/zinc/53/04/13/1037530413.db2.gz HZCPXVIZSCYAAA-ZXHYAQOVSA-N 2 2 379.548 3.672 20 0 GHADLP C[C@H]1CC[C@H]([N@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)C[NH2+]1 ZINC001246657415 1037530429 /nfs/dbraw/zinc/53/04/29/1037530429.db2.gz HZCPXVIZSCYAAA-ZXHYAQOVSA-N 2 2 379.548 3.672 20 0 GHADLP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)CC[NH2+]1 ZINC001246756988 1037599420 /nfs/dbraw/zinc/59/94/20/1037599420.db2.gz YCSXIFFXFIEXCH-DJPFJPOOSA-N 2 2 375.582 3.734 20 0 GHADLP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)CC[NH2+]1 ZINC001246756988 1037599436 /nfs/dbraw/zinc/59/94/36/1037599436.db2.gz YCSXIFFXFIEXCH-DJPFJPOOSA-N 2 2 375.582 3.734 20 0 GHADLP CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+]([C@H]3CCC[NH2+]C3)CC2)c2ccccc21 ZINC001246757815 1037599825 /nfs/dbraw/zinc/59/98/25/1037599825.db2.gz WGDLLPJRMOOFOK-UXHICEINSA-N 2 2 383.580 3.518 20 0 GHADLP CC(C)(C)[C@@H]1C[C@H]([NH+]2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246780756 1037620832 /nfs/dbraw/zinc/62/08/32/1037620832.db2.gz DHSSRUCZJAXCIE-MOPGFXCFSA-N 2 2 394.401 3.733 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@@H](N2CC[NH+](Cc3ccccc3F)CC2)CC[NH2+]1 ZINC001246789313 1037627697 /nfs/dbraw/zinc/62/76/97/1037627697.db2.gz XFGWCSKROOLBKH-NZQKXSOJSA-N 2 2 385.502 3.884 20 0 GHADLP C[C@@H]1C[C@@H]([NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246792740 1037634015 /nfs/dbraw/zinc/63/40/15/1037634015.db2.gz WMWRCXTZYUJKQK-VGSWGCGISA-N 2 2 385.502 3.812 20 0 GHADLP C[C@@H]1C[C@@H](N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246792740 1037634025 /nfs/dbraw/zinc/63/40/25/1037634025.db2.gz WMWRCXTZYUJKQK-VGSWGCGISA-N 2 2 385.502 3.812 20 0 GHADLP CN(C(=O)NCC1(CC2CC2)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001246908821 1037717934 /nfs/dbraw/zinc/71/79/34/1037717934.db2.gz LJYBEBAUDLTOTD-NHCUHLMSSA-N 2 2 390.616 3.545 20 0 GHADLP CN(C(=O)NCC1(CC2CC2)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001246908821 1037717946 /nfs/dbraw/zinc/71/79/46/1037717946.db2.gz LJYBEBAUDLTOTD-NHCUHLMSSA-N 2 2 390.616 3.545 20 0 GHADLP CC(C)(C)[C@H]1C[C@@H]([NH+]2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246925059 1037731997 /nfs/dbraw/zinc/73/19/97/1037731997.db2.gz LHJSINMYSYMCMY-PKOBYXMFSA-N 2 2 399.501 3.870 20 0 GHADLP COC(=O)c1cccc2c1CC[N@@H+]([C@@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246946819 1037750934 /nfs/dbraw/zinc/75/09/34/1037750934.db2.gz HWEFTPMHDGKHOJ-GCJKJVERSA-N 2 2 382.479 3.772 20 0 GHADLP COC(=O)c1cccc2c1CC[N@H+]([C@@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246946819 1037750958 /nfs/dbraw/zinc/75/09/58/1037750958.db2.gz HWEFTPMHDGKHOJ-GCJKJVERSA-N 2 2 382.479 3.772 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](Oc3nccnc3C)C2)CC[NH2+]1 ZINC001246957145 1037768153 /nfs/dbraw/zinc/76/81/53/1037768153.db2.gz AGDILZSSYOJFHM-ZVDOUQERSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Oc3nccnc3C)C2)CC[NH2+]1 ZINC001246957145 1037768175 /nfs/dbraw/zinc/76/81/75/1037768175.db2.gz AGDILZSSYOJFHM-ZVDOUQERSA-N 2 2 384.499 3.569 20 0 GHADLP Cc1cc(F)ccc1[C@@H]1C[C@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246972780 1037798487 /nfs/dbraw/zinc/79/84/87/1037798487.db2.gz IZSIDBGBWBVBFL-NQIIRXRSSA-N 3 2 386.490 3.720 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246991525 1037814055 /nfs/dbraw/zinc/81/40/55/1037814055.db2.gz UDOMZURWJGPDLY-ZHALLVOQSA-N 2 2 378.488 3.953 20 0 GHADLP Cc1cc(F)ccc1[C@H]1C[C@H]([N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246991525 1037814077 /nfs/dbraw/zinc/81/40/77/1037814077.db2.gz UDOMZURWJGPDLY-ZHALLVOQSA-N 2 2 378.488 3.953 20 0 GHADLP CCOC(=O)c1ccc(C[C@H](C)[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc1 ZINC001247000027 1037825369 /nfs/dbraw/zinc/82/53/69/1037825369.db2.gz DRHFCVBJKLLGTO-SFHVURJKSA-N 2 2 378.516 3.889 20 0 GHADLP CCCCOc1ccc(-c2noc([C@@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)cc1 ZINC001247126731 1037936154 /nfs/dbraw/zinc/93/61/54/1037936154.db2.gz NJGVTASHHWIPPF-SFHVURJKSA-N 2 2 393.491 3.531 20 0 GHADLP c1cn(-c2ccc(-c3noc(C4CC[NH+](Cc5ccccn5)CC4)n3)cc2)c[nH+]1 ZINC001247169527 1037962106 /nfs/dbraw/zinc/96/21/06/1037962106.db2.gz SRXXNDZCXUDDEP-UHFFFAOYSA-N 2 2 386.459 3.697 20 0 GHADLP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc([C@@H]3CCC[N@H+]3C(C)C)n2)c1 ZINC001247367840 1038155208 /nfs/dbraw/zinc/15/52/08/1038155208.db2.gz DPSLHVUMCBSGLT-SFHVURJKSA-N 2 2 379.464 3.670 20 0 GHADLP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc([C@@H]3CCC[N@@H+]3C(C)C)n2)c1 ZINC001247367840 1038155215 /nfs/dbraw/zinc/15/52/15/1038155215.db2.gz DPSLHVUMCBSGLT-SFHVURJKSA-N 2 2 379.464 3.670 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cn4cc(F)ccc4n3)C[C@H]21 ZINC001232411943 1038196363 /nfs/dbraw/zinc/19/63/63/1038196363.db2.gz GNRDKEADQPLDCU-MTNREXPMSA-N 2 2 393.510 3.601 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cn4cc(F)ccc4n3)C[C@H]21 ZINC001232411943 1038196367 /nfs/dbraw/zinc/19/63/67/1038196367.db2.gz GNRDKEADQPLDCU-MTNREXPMSA-N 2 2 393.510 3.601 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cn4cc(F)ccc4n3)C[C@H]21 ZINC001232411943 1038196373 /nfs/dbraw/zinc/19/63/73/1038196373.db2.gz GNRDKEADQPLDCU-MTNREXPMSA-N 2 2 393.510 3.601 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cn4cc(F)ccc4n3)C[C@H]21 ZINC001232411943 1038196378 /nfs/dbraw/zinc/19/63/78/1038196378.db2.gz GNRDKEADQPLDCU-MTNREXPMSA-N 2 2 393.510 3.601 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4ccoc4cn3)C[C@@H]21 ZINC001232551526 1038319860 /nfs/dbraw/zinc/31/98/60/1038319860.db2.gz RAGGYNDASQYMLN-BVYCBKJFSA-N 2 2 376.504 3.955 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4ccoc4cn3)C[C@@H]21 ZINC001232551526 1038319874 /nfs/dbraw/zinc/31/98/74/1038319874.db2.gz RAGGYNDASQYMLN-BVYCBKJFSA-N 2 2 376.504 3.955 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4ccoc4cn3)C[C@@H]21 ZINC001232551526 1038319886 /nfs/dbraw/zinc/31/98/86/1038319886.db2.gz RAGGYNDASQYMLN-BVYCBKJFSA-N 2 2 376.504 3.955 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4ccoc4cn3)C[C@@H]21 ZINC001232551526 1038319897 /nfs/dbraw/zinc/31/98/97/1038319897.db2.gz RAGGYNDASQYMLN-BVYCBKJFSA-N 2 2 376.504 3.955 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3nc4ccccc4o3)C[C@H]21 ZINC001232557839 1038327620 /nfs/dbraw/zinc/32/76/20/1038327620.db2.gz KDKUIDKFZIEDBR-YFVAEKQCSA-N 2 2 376.504 3.955 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3nc4ccccc4o3)C[C@H]21 ZINC001232557839 1038327641 /nfs/dbraw/zinc/32/76/41/1038327641.db2.gz KDKUIDKFZIEDBR-YFVAEKQCSA-N 2 2 376.504 3.955 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3nc4ccccc4o3)C[C@H]21 ZINC001232557839 1038327653 /nfs/dbraw/zinc/32/76/53/1038327653.db2.gz KDKUIDKFZIEDBR-YFVAEKQCSA-N 2 2 376.504 3.955 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc4ccccc4o3)C[C@H]21 ZINC001232557839 1038327665 /nfs/dbraw/zinc/32/76/65/1038327665.db2.gz KDKUIDKFZIEDBR-YFVAEKQCSA-N 2 2 376.504 3.955 20 0 GHADLP c1ccc(COc2ccc(-c3noc([C@H]4CCC5(CC[NH2+]CC5)[NH2+]4)n3)cc2)cc1 ZINC001247862596 1038433487 /nfs/dbraw/zinc/43/34/87/1038433487.db2.gz WOBNAYHEXORFED-HXUWFJFHSA-N 2 2 390.487 3.862 20 0 GHADLP FC(F)(F)c1ccc(Cl)c(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c1 ZINC001247862805 1038433835 /nfs/dbraw/zinc/43/38/35/1038433835.db2.gz XMCGQCDIHYDEJF-ZDUSSCGKSA-N 2 2 386.805 3.956 20 0 GHADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001232708737 1038508568 /nfs/dbraw/zinc/50/85/68/1038508568.db2.gz IMMGKHFFNQUXIS-VQTJNVASSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001232708737 1038508575 /nfs/dbraw/zinc/50/85/75/1038508575.db2.gz IMMGKHFFNQUXIS-VQTJNVASSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001232708737 1038508581 /nfs/dbraw/zinc/50/85/81/1038508581.db2.gz IMMGKHFFNQUXIS-VQTJNVASSA-N 2 2 382.479 3.566 20 0 GHADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001232708737 1038508590 /nfs/dbraw/zinc/50/85/90/1038508590.db2.gz IMMGKHFFNQUXIS-VQTJNVASSA-N 2 2 382.479 3.566 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1 ZINC001252429706 1038991496 /nfs/dbraw/zinc/99/14/96/1038991496.db2.gz HLXJCZMXGYBTOW-CYBMUJFWSA-N 2 2 392.488 3.885 20 0 GHADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(OC)c(OC)c(OCc4ccccc4)c3)C[C@H]2C1 ZINC001233254099 1039019569 /nfs/dbraw/zinc/01/95/69/1039019569.db2.gz HJIAIRZAUZLNBS-NHCUHLMSSA-N 2 2 396.531 3.666 20 0 GHADLP CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001252749829 1039131340 /nfs/dbraw/zinc/13/13/40/1039131340.db2.gz XXMZQBBOEHQKMJ-LJQANCHMSA-N 2 2 384.520 3.662 20 0 GHADLP O[C@]1(C[NH+]2CCC(c3ccc(F)cc3F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252936132 1039274972 /nfs/dbraw/zinc/27/49/72/1039274972.db2.gz GIDJWGBAUZHVKE-QHCPKHFHSA-N 2 2 386.486 3.781 20 0 GHADLP O[C@]1(C[NH+]2CCC(c3ccc(F)cc3F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252936132 1039274980 /nfs/dbraw/zinc/27/49/80/1039274980.db2.gz GIDJWGBAUZHVKE-QHCPKHFHSA-N 2 2 386.486 3.781 20 0 GHADLP COc1ccccc1[C@H](O)C[N@H+](Cc1ccc(-n2cc[nH+]c2)c(OC)c1)C(C)C ZINC001234075749 1039813184 /nfs/dbraw/zinc/81/31/84/1039813184.db2.gz NNASMBWMAFIAAB-OAQYLSRUSA-N 2 2 395.503 3.834 20 0 GHADLP COc1ccccc1[C@H](O)C[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(OC)c1)C(C)C ZINC001234075749 1039813203 /nfs/dbraw/zinc/81/32/03/1039813203.db2.gz NNASMBWMAFIAAB-OAQYLSRUSA-N 2 2 395.503 3.834 20 0 GHADLP COc1ccccc1[C@@H](O)C[N@H+](Cc1ccc(-n2cc[nH+]c2)c(OC)c1)C(C)C ZINC001234075747 1039813645 /nfs/dbraw/zinc/81/36/45/1039813645.db2.gz NNASMBWMAFIAAB-NRFANRHFSA-N 2 2 395.503 3.834 20 0 GHADLP COc1ccccc1[C@@H](O)C[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(OC)c1)C(C)C ZINC001234075747 1039813672 /nfs/dbraw/zinc/81/36/72/1039813672.db2.gz NNASMBWMAFIAAB-NRFANRHFSA-N 2 2 395.503 3.834 20 0 GHADLP COC[C@H](C)[N@H+](Cc1cccc(OC)c1)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234075456 1039815578 /nfs/dbraw/zinc/81/55/78/1039815578.db2.gz JXEOOBRDJBQTQP-SFHVURJKSA-N 2 2 395.503 3.927 20 0 GHADLP COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234075456 1039815606 /nfs/dbraw/zinc/81/56/06/1039815606.db2.gz JXEOOBRDJBQTQP-SFHVURJKSA-N 2 2 395.503 3.927 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001234147678 1039885394 /nfs/dbraw/zinc/88/53/94/1039885394.db2.gz FOEZMLPSJXHABP-IEBWSBKVSA-N 2 2 387.572 3.544 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC001234147678 1039885420 /nfs/dbraw/zinc/88/54/20/1039885420.db2.gz FOEZMLPSJXHABP-IEBWSBKVSA-N 2 2 387.572 3.544 20 0 GHADLP OC1(C[N@@H+]2CCc3c4cc(F)ccc4[nH]c3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254040928 1039970039 /nfs/dbraw/zinc/97/00/39/1039970039.db2.gz DOCNATOIJVULKU-UHFFFAOYSA-N 2 2 393.506 3.692 20 0 GHADLP OC1(C[N@H+]2CCc3c4cc(F)ccc4[nH]c3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254040928 1039970048 /nfs/dbraw/zinc/97/00/48/1039970048.db2.gz DOCNATOIJVULKU-UHFFFAOYSA-N 2 2 393.506 3.692 20 0 GHADLP CC(C)(C)OC(=O)N1CCCC[C@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001254194403 1040043622 /nfs/dbraw/zinc/04/36/22/1040043622.db2.gz TWJGIJZLBGXQBQ-IBGZPJMESA-N 2 2 391.531 3.865 20 0 GHADLP c1ccc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C2CCc3ccccc3CC2)[nH+]c1 ZINC001254458646 1040245177 /nfs/dbraw/zinc/24/51/77/1040245177.db2.gz BDAGNNBMSISRGI-QFIPXVFZSA-N 2 2 377.532 3.747 20 0 GHADLP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1OCc1ccc(C(=O)OC)cc1 ZINC001234806578 1040337196 /nfs/dbraw/zinc/33/71/96/1040337196.db2.gz QFUQAFXXUUHEOA-UHFFFAOYSA-N 2 2 384.520 3.826 20 0 GHADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1OCc1ccc(C(=O)OC)cc1 ZINC001234806578 1040337210 /nfs/dbraw/zinc/33/72/10/1040337210.db2.gz QFUQAFXXUUHEOA-UHFFFAOYSA-N 2 2 384.520 3.826 20 0 GHADLP CCOC(OCC)c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001234868836 1040380955 /nfs/dbraw/zinc/38/09/55/1040380955.db2.gz HXXKZLYVXVEGQR-GOTSBHOMSA-N 2 2 395.547 3.717 20 0 GHADLP OCC[C@@H]1CC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)c(Br)c1)CC2 ZINC001235027936 1040521765 /nfs/dbraw/zinc/52/17/65/1040521765.db2.gz OQPDQXADLBOOFF-MRXNPFEDSA-N 2 2 390.325 3.619 20 0 GHADLP F[C@@H]1COC2(C1)CC[NH+](Cc1ccc(-n3cc[nH+]c3)c(Br)c1)CC2 ZINC001235033935 1040526375 /nfs/dbraw/zinc/52/63/75/1040526375.db2.gz HJBYFOFCJYVELV-HNNXBMFYSA-N 2 2 394.288 3.728 20 0 GHADLP CC[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)C(C)(C)C1 ZINC001235040322 1040533863 /nfs/dbraw/zinc/53/38/63/1040533863.db2.gz VPHTZDLHKURZHQ-UHFFFAOYSA-N 2 2 377.330 3.551 20 0 GHADLP CC[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)c(Br)c2)C(C)(C)C1 ZINC001235040322 1040533875 /nfs/dbraw/zinc/53/38/75/1040533875.db2.gz VPHTZDLHKURZHQ-UHFFFAOYSA-N 2 2 377.330 3.551 20 0 GHADLP c1cc(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)cc(N2CCCC2)c1 ZINC001235087658 1040576173 /nfs/dbraw/zinc/57/61/73/1040576173.db2.gz COVFEWQSGLGEBT-LADGPHEKSA-N 2 2 383.580 3.610 20 0 GHADLP c1cc(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)cc(N2CCCC2)c1 ZINC001235087658 1040576188 /nfs/dbraw/zinc/57/61/88/1040576188.db2.gz COVFEWQSGLGEBT-LADGPHEKSA-N 2 2 383.580 3.610 20 0 GHADLP c1cc(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc(N2CCCC2)c1 ZINC001235087658 1040576202 /nfs/dbraw/zinc/57/62/02/1040576202.db2.gz COVFEWQSGLGEBT-LADGPHEKSA-N 2 2 383.580 3.610 20 0 GHADLP c1cc(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc(N2CCCC2)c1 ZINC001235087658 1040576217 /nfs/dbraw/zinc/57/62/17/1040576217.db2.gz COVFEWQSGLGEBT-LADGPHEKSA-N 2 2 383.580 3.610 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@@H+]2[C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254854581 1040598448 /nfs/dbraw/zinc/59/84/48/1040598448.db2.gz FUGCVXKALOIWBA-KNQAVFIVSA-N 2 2 377.573 3.726 20 0 GHADLP CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+]2[C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254854581 1040598460 /nfs/dbraw/zinc/59/84/60/1040598460.db2.gz FUGCVXKALOIWBA-KNQAVFIVSA-N 2 2 377.573 3.726 20 0 GHADLP c1[nH]c2ccc(OCc3ccccc3)cc2c1C[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235117282 1040608258 /nfs/dbraw/zinc/60/82/58/1040608258.db2.gz ZVJGARAPAHKTII-DEOSSOPVSA-N 2 2 391.515 3.701 20 0 GHADLP c1[nH]c2ccc(OCc3ccccc3)cc2c1C[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235117282 1040608284 /nfs/dbraw/zinc/60/82/84/1040608284.db2.gz ZVJGARAPAHKTII-DEOSSOPVSA-N 2 2 391.515 3.701 20 0 GHADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cc4cccc(F)c4[nH]2)CC3)cn1 ZINC001235241590 1040723385 /nfs/dbraw/zinc/72/33/85/1040723385.db2.gz OSKYJRURUFEYKD-UHFFFAOYSA-N 2 2 381.499 3.671 20 0 GHADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cc4cccc(F)c4[nH]2)CC3)cn1 ZINC001235241590 1040723400 /nfs/dbraw/zinc/72/34/00/1040723400.db2.gz OSKYJRURUFEYKD-UHFFFAOYSA-N 2 2 381.499 3.671 20 0 GHADLP COC(=O)c1ccc2[nH]cc(C[N@@H+]3CCC[C@]34C[NH2+]C[C@@H]4c3ccccc3)c2c1 ZINC001235251187 1040734082 /nfs/dbraw/zinc/73/40/82/1040734082.db2.gz PHDMKDBFEGBJGL-ZJSXRUAMSA-N 2 2 389.499 3.676 20 0 GHADLP COC(=O)c1ccc2[nH]cc(C[N@H+]3CCC[C@]34C[NH2+]C[C@@H]4c3ccccc3)c2c1 ZINC001235251187 1040734101 /nfs/dbraw/zinc/73/41/01/1040734101.db2.gz PHDMKDBFEGBJGL-ZJSXRUAMSA-N 2 2 389.499 3.676 20 0 GHADLP CC[NH+](CC)CCCN1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255142256 1040850418 /nfs/dbraw/zinc/85/04/18/1040850418.db2.gz AWSXWIBNLVLJJB-LNWKWYTESA-N 3 2 398.639 3.532 20 0 GHADLP CC[NH+](CC)CCCN1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255142256 1040850430 /nfs/dbraw/zinc/85/04/30/1040850430.db2.gz AWSXWIBNLVLJJB-LNWKWYTESA-N 3 2 398.639 3.532 20 0 GHADLP FC(F)(F)c1cccnc1C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235368156 1040865337 /nfs/dbraw/zinc/86/53/37/1040865337.db2.gz ITALKBZYGKHYGO-PXNSSMCTSA-N 2 2 375.438 3.854 20 0 GHADLP FC(F)(F)c1cccnc1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235368156 1040865352 /nfs/dbraw/zinc/86/53/52/1040865352.db2.gz ITALKBZYGKHYGO-PXNSSMCTSA-N 2 2 375.438 3.854 20 0 GHADLP CC(C)(C)OC(=O)N1Cc2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc2C1 ZINC001235384623 1040903736 /nfs/dbraw/zinc/90/37/36/1040903736.db2.gz BXYRYENGBHCKIT-UHFFFAOYSA-N 2 2 382.508 3.971 20 0 GHADLP CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)C1 ZINC001255352089 1040957058 /nfs/dbraw/zinc/95/70/58/1040957058.db2.gz ZKTUJIURWIQOGA-UTKZUKDTSA-N 2 2 376.516 3.810 20 0 GHADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC001255384277 1040974057 /nfs/dbraw/zinc/97/40/57/1040974057.db2.gz XEQMGOAOUXHONA-RUZDIDTESA-N 3 2 393.575 3.663 20 0 GHADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC001255384277 1040974059 /nfs/dbraw/zinc/97/40/59/1040974059.db2.gz XEQMGOAOUXHONA-RUZDIDTESA-N 3 2 393.575 3.663 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001255401189 1040987525 /nfs/dbraw/zinc/98/75/25/1040987525.db2.gz ROTPEPDGLWUEKG-DQEYMECFSA-N 3 2 399.623 3.864 20 0 GHADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001255401189 1040987526 /nfs/dbraw/zinc/98/75/26/1040987526.db2.gz ROTPEPDGLWUEKG-DQEYMECFSA-N 3 2 399.623 3.864 20 0 GHADLP COC1CCC([N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)CC1 ZINC001255462496 1041064449 /nfs/dbraw/zinc/06/44/49/1041064449.db2.gz YOJDCKSEABPAPY-MHJFOBGBSA-N 2 2 379.495 3.572 20 0 GHADLP COC1CCC([N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)CC1 ZINC001255462496 1041064463 /nfs/dbraw/zinc/06/44/63/1041064463.db2.gz YOJDCKSEABPAPY-MHJFOBGBSA-N 2 2 379.495 3.572 20 0 GHADLP COC1CCC([NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)CC1 ZINC001255462496 1041064475 /nfs/dbraw/zinc/06/44/75/1041064475.db2.gz YOJDCKSEABPAPY-MHJFOBGBSA-N 2 2 379.495 3.572 20 0 GHADLP COC1CCC([NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CC1 ZINC001255462496 1041064487 /nfs/dbraw/zinc/06/44/87/1041064487.db2.gz YOJDCKSEABPAPY-MHJFOBGBSA-N 2 2 379.495 3.572 20 0 GHADLP Cn1c(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)cc2ccccc21 ZINC001235646283 1041085547 /nfs/dbraw/zinc/08/55/47/1041085547.db2.gz KEUHCSUIPFHYKG-UHFFFAOYSA-N 2 2 377.536 3.813 20 0 GHADLP Cn1c(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)cc2ccccc21 ZINC001235646283 1041085567 /nfs/dbraw/zinc/08/55/67/1041085567.db2.gz KEUHCSUIPFHYKG-UHFFFAOYSA-N 2 2 377.536 3.813 20 0 GHADLP Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235694674 1041170938 /nfs/dbraw/zinc/17/09/38/1041170938.db2.gz HVBMLOPHSZKCBR-JOCHJYFZSA-N 2 2 385.502 3.814 20 0 GHADLP Brc1c2ccccc2sc1C[NH+]1CCN(C2CC[NH2+]CC2)CC1 ZINC001235702173 1041183083 /nfs/dbraw/zinc/18/30/83/1041183083.db2.gz MLNTXHOTIOPYDE-UHFFFAOYSA-N 2 2 394.382 3.533 20 0 GHADLP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(OCc3ccccc3)ccc2Br)C1 ZINC001235750707 1041237678 /nfs/dbraw/zinc/23/76/78/1041237678.db2.gz SOHAZXKOXUWPKU-INIZCTEOSA-N 2 2 375.310 3.809 20 0 GHADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccc2Br)C1 ZINC001235750707 1041237688 /nfs/dbraw/zinc/23/76/88/1041237688.db2.gz SOHAZXKOXUWPKU-INIZCTEOSA-N 2 2 375.310 3.809 20 0 GHADLP COCCC[N@H+](Cc1c[nH]c2c1cccc2Br)[C@H]1CCC[NH2+]C1 ZINC001235804612 1041314049 /nfs/dbraw/zinc/31/40/49/1041314049.db2.gz GAIMZDDYAIPTAW-HNNXBMFYSA-N 2 2 380.330 3.521 20 0 GHADLP COCCC[N@@H+](Cc1c[nH]c2c1cccc2Br)[C@H]1CCC[NH2+]C1 ZINC001235804612 1041314068 /nfs/dbraw/zinc/31/40/68/1041314068.db2.gz GAIMZDDYAIPTAW-HNNXBMFYSA-N 2 2 380.330 3.521 20 0 GHADLP COCCC[N@H+](Cc1cccc(-c2ccc(C(=O)OC)cc2)c1)[C@H]1CCC[NH2+]C1 ZINC001235809027 1041319295 /nfs/dbraw/zinc/31/92/95/1041319295.db2.gz IHDKWVJIACPKOR-QHCPKHFHSA-N 2 2 396.531 3.731 20 0 GHADLP COCCC[N@@H+](Cc1cccc(-c2ccc(C(=O)OC)cc2)c1)[C@H]1CCC[NH2+]C1 ZINC001235809027 1041319309 /nfs/dbraw/zinc/31/93/09/1041319309.db2.gz IHDKWVJIACPKOR-QHCPKHFHSA-N 2 2 396.531 3.731 20 0 GHADLP Brc1ccccc1C1([NH2+]C2CC[NH+](C3CC3)CC2)CCOCC1 ZINC001256071872 1041507536 /nfs/dbraw/zinc/50/75/36/1041507536.db2.gz SHIPADTWVXCDLF-UHFFFAOYSA-N 2 2 379.342 3.671 20 0 GHADLP [NH3+]CC1C[NH+]([C@@H]2CCCN(Cc3ccc(OCc4ccccc4)cc3Cl)C2)C1 ZINC001236079093 1041524635 /nfs/dbraw/zinc/52/46/35/1041524635.db2.gz LIOBOMBVBFAKIR-OAQYLSRUSA-N 2 2 399.966 3.774 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214607 1041624636 /nfs/dbraw/zinc/62/46/36/1041624636.db2.gz SKVIHUDKYZDYDS-HNAYVOBHSA-N 3 2 385.930 3.727 20 0 GHADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214607 1041624653 /nfs/dbraw/zinc/62/46/53/1041624653.db2.gz SKVIHUDKYZDYDS-HNAYVOBHSA-N 3 2 385.930 3.727 20 0 GHADLP C[C@H]1CNCC(F)(F)[C@@H]1C[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214607 1041624667 /nfs/dbraw/zinc/62/46/67/1041624667.db2.gz SKVIHUDKYZDYDS-HNAYVOBHSA-N 2 2 385.930 3.727 20 0 GHADLP C[C@H]1CNCC(F)(F)[C@@H]1C[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236214607 1041624671 /nfs/dbraw/zinc/62/46/71/1041624671.db2.gz SKVIHUDKYZDYDS-HNAYVOBHSA-N 2 2 385.930 3.727 20 0 GHADLP COC(=O)c1cccc2c(C[N@H+](Cc3ccccc3F)C3CC[NH2+]CC3)c[nH]c21 ZINC001236368579 1041684047 /nfs/dbraw/zinc/68/40/47/1041684047.db2.gz DKMNEBUAMLESKM-UHFFFAOYSA-N 2 2 395.478 3.848 20 0 GHADLP COC(=O)c1cccc2c(C[N@@H+](Cc3ccccc3F)C3CC[NH2+]CC3)c[nH]c21 ZINC001236368579 1041684050 /nfs/dbraw/zinc/68/40/50/1041684050.db2.gz DKMNEBUAMLESKM-UHFFFAOYSA-N 2 2 395.478 3.848 20 0 GHADLP Fc1ccccc1C[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C1CC[NH2+]CC1 ZINC001236371921 1041685196 /nfs/dbraw/zinc/68/51/96/1041685196.db2.gz OLOKQTYLIKKCMN-UHFFFAOYSA-N 3 2 392.522 3.638 20 0 GHADLP Fc1ccccc1C[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C1CC[NH2+]CC1 ZINC001236371921 1041685200 /nfs/dbraw/zinc/68/52/00/1041685200.db2.gz OLOKQTYLIKKCMN-UHFFFAOYSA-N 3 2 392.522 3.638 20 0 GHADLP Oc1cnccc1C[N@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC001236490830 1041737656 /nfs/dbraw/zinc/73/76/56/1041737656.db2.gz NBABURSVNQBAKC-UHFFFAOYSA-N 2 2 383.389 3.699 20 0 GHADLP Oc1cnccc1C[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC001236490830 1041737661 /nfs/dbraw/zinc/73/76/61/1041737661.db2.gz NBABURSVNQBAKC-UHFFFAOYSA-N 2 2 383.389 3.699 20 0 GHADLP COc1cc(F)cc(C[N@H+](Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)c1 ZINC001236515037 1041748851 /nfs/dbraw/zinc/74/88/51/1041748851.db2.gz GPVNSGXIRWSDDM-UHFFFAOYSA-N 2 2 376.447 3.736 20 0 GHADLP COc1cc(F)cc(C[N@@H+](Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)c1 ZINC001236515037 1041748854 /nfs/dbraw/zinc/74/88/54/1041748854.db2.gz GPVNSGXIRWSDDM-UHFFFAOYSA-N 2 2 376.447 3.736 20 0 GHADLP O=C1[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C[C@H]2CN1c1ccccc1 ZINC001236904159 1041948402 /nfs/dbraw/zinc/94/84/02/1041948402.db2.gz QUCTZJGKBPTDFY-HKUYNNGSSA-N 2 2 392.890 3.621 20 0 GHADLP O=C1[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C[C@H]2CN1c1ccccc1 ZINC001236904159 1041948403 /nfs/dbraw/zinc/94/84/03/1041948403.db2.gz QUCTZJGKBPTDFY-HKUYNNGSSA-N 2 2 392.890 3.621 20 0 GHADLP O=C1Nc2ccccc2[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C[C@H]12 ZINC001236915564 1041955723 /nfs/dbraw/zinc/95/57/23/1041955723.db2.gz FMTRIIHCQMLTAB-MSOLQXFVSA-N 2 2 378.863 3.693 20 0 GHADLP O=C1Nc2ccccc2[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C[C@H]12 ZINC001236915564 1041955726 /nfs/dbraw/zinc/95/57/26/1041955726.db2.gz FMTRIIHCQMLTAB-MSOLQXFVSA-N 2 2 378.863 3.693 20 0 GHADLP COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236916524 1041956395 /nfs/dbraw/zinc/95/63/95/1041956395.db2.gz FJCCTTJJWWQRFM-LAUBAEHRSA-N 2 2 389.927 3.933 20 0 GHADLP COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1Cl)C2 ZINC001236916524 1041956399 /nfs/dbraw/zinc/95/63/99/1041956399.db2.gz FJCCTTJJWWQRFM-LAUBAEHRSA-N 2 2 389.927 3.933 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001236921265 1041960005 /nfs/dbraw/zinc/96/00/05/1041960005.db2.gz GUDZIXPDYMTKFZ-PZJWPPBQSA-N 2 2 387.911 3.686 20 0 GHADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001236921265 1041960008 /nfs/dbraw/zinc/96/00/08/1041960008.db2.gz GUDZIXPDYMTKFZ-PZJWPPBQSA-N 2 2 387.911 3.686 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(O)cc4ccccc43)CC2)C1 ZINC001237069913 1042020629 /nfs/dbraw/zinc/02/06/29/1042020629.db2.gz YNBXTZFQQUVERA-LJQANCHMSA-N 2 2 396.531 3.785 20 0 GHADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc(O)cc4ccccc43)CC2)C1 ZINC001237069913 1042020631 /nfs/dbraw/zinc/02/06/31/1042020631.db2.gz YNBXTZFQQUVERA-LJQANCHMSA-N 2 2 396.531 3.785 20 0 GHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3sc(=O)[nH]c3Cl)C[C@H]21 ZINC001237151201 1042065347 /nfs/dbraw/zinc/06/53/47/1042065347.db2.gz UUSQOMFYTHSHJR-FVQBIDKESA-N 2 2 392.956 3.630 20 0 GHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3sc(=O)[nH]c3Cl)C[C@H]21 ZINC001237151201 1042065350 /nfs/dbraw/zinc/06/53/50/1042065350.db2.gz UUSQOMFYTHSHJR-FVQBIDKESA-N 2 2 392.956 3.630 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3sc(=O)[nH]c3Cl)C[C@H]21 ZINC001237151201 1042065358 /nfs/dbraw/zinc/06/53/58/1042065358.db2.gz UUSQOMFYTHSHJR-FVQBIDKESA-N 2 2 392.956 3.630 20 0 GHADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3sc(=O)[nH]c3Cl)C[C@H]21 ZINC001237151201 1042065360 /nfs/dbraw/zinc/06/53/60/1042065360.db2.gz UUSQOMFYTHSHJR-FVQBIDKESA-N 2 2 392.956 3.630 20 0 GHADLP C[NH+]1CCC2(C[NH+](Cc3c(Br)cccc3OC(F)F)C2)CC1 ZINC001237256627 1042110322 /nfs/dbraw/zinc/11/03/22/1042110322.db2.gz JWBIYOSQZITLDG-UHFFFAOYSA-N 2 2 375.257 3.578 20 0 GHADLP Fc1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1OC(F)F ZINC001237356869 1042166635 /nfs/dbraw/zinc/16/66/35/1042166635.db2.gz MWMSOZLUWNTMHP-QZTJIDSGSA-N 2 2 376.422 3.991 20 0 GHADLP C[NH+](C)CCCOc1ccc(C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc1 ZINC001237360535 1042168969 /nfs/dbraw/zinc/16/89/69/1042168969.db2.gz ZTHZTVDTMUMNIB-UHFFFAOYSA-N 3 2 379.548 3.612 20 0 GHADLP COC(=O)c1cc2cc(C[NH+]3CCC4(CC3)[NH2+]Cc3ccccc34)ccc2[nH]1 ZINC001237376730 1042178182 /nfs/dbraw/zinc/17/81/82/1042178182.db2.gz SOVAIEWYPWGPOH-UHFFFAOYSA-N 2 2 375.472 3.549 20 0 GHADLP CCOC(=O)[C@H]1C[N@H+](Cc2cc(Cl)c(Cl)c(Cl)c2)CCC12C[NH2+]C2 ZINC001237428510 1042204315 /nfs/dbraw/zinc/20/43/15/1042204315.db2.gz AQIPRURKTRPEDO-GFCCVEGCSA-N 2 2 391.726 3.621 20 0 GHADLP CCOC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)c(Cl)c(Cl)c2)CCC12C[NH2+]C2 ZINC001237428510 1042204318 /nfs/dbraw/zinc/20/43/18/1042204318.db2.gz AQIPRURKTRPEDO-GFCCVEGCSA-N 2 2 391.726 3.621 20 0 GHADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1cccc(C(C)C)c1)CCC2 ZINC001237458807 1042217121 /nfs/dbraw/zinc/21/71/21/1042217121.db2.gz PBLLORWMJQMYSU-UHFFFAOYSA-N 2 2 382.552 3.614 20 0 GHADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](Cc1cccc(C(C)C)c1)CCC2 ZINC001237458807 1042217123 /nfs/dbraw/zinc/21/71/23/1042217123.db2.gz PBLLORWMJQMYSU-UHFFFAOYSA-N 2 2 382.552 3.614 20 0 GHADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc(N5CCCCC5)n4)C[C@H]3C2)c1 ZINC001238002270 1042453936 /nfs/dbraw/zinc/45/39/36/1042453936.db2.gz CVRIGXHXSYVCAU-KDURUIRLSA-N 2 2 382.577 3.697 20 0 GHADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4cccc(N5CCCCC5)n4)C[C@H]3C2)c1 ZINC001238002270 1042453940 /nfs/dbraw/zinc/45/39/40/1042453940.db2.gz CVRIGXHXSYVCAU-KDURUIRLSA-N 2 2 382.577 3.697 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc(N5CCCCC5)n4)C[C@H]3C2)c1 ZINC001238002270 1042453944 /nfs/dbraw/zinc/45/39/44/1042453944.db2.gz CVRIGXHXSYVCAU-KDURUIRLSA-N 2 2 382.577 3.697 20 0 GHADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc(N5CCCCC5)n4)C[C@H]3C2)c1 ZINC001238002270 1042453948 /nfs/dbraw/zinc/45/39/48/1042453948.db2.gz CVRIGXHXSYVCAU-KDURUIRLSA-N 2 2 382.577 3.697 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c(Br)c1 ZINC001238267732 1042537003 /nfs/dbraw/zinc/53/70/03/1042537003.db2.gz OMJYXOHBUOXKGH-UHFFFAOYSA-N 2 2 394.401 3.784 20 0 GHADLP COc1cc(C)c(C)cc1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001238756136 1042715378 /nfs/dbraw/zinc/71/53/78/1042715378.db2.gz KDHRYUHKASFIAR-UHFFFAOYSA-N 2 2 382.552 3.553 20 0 GHADLP O=C(NCc1ccccc1)c1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1 ZINC001239908716 1042860575 /nfs/dbraw/zinc/86/05/75/1042860575.db2.gz JQLWWPAZNYCUMI-UHFFFAOYSA-N 2 2 382.467 3.618 20 0 GHADLP CC1CCN(C(=O)c2ccc(-c3ccc(C[N@@H+]4CC[C@@H]([NH3+])C4)cc3)cc2)CC1 ZINC001240043696 1042875401 /nfs/dbraw/zinc/87/54/01/1042875401.db2.gz OCSIFMKVOVKIOJ-HSZRJFAPSA-N 2 2 377.532 3.759 20 0 GHADLP CC1CCN(C(=O)c2ccc(-c3ccc(C[N@H+]4CC[C@@H]([NH3+])C4)cc3)cc2)CC1 ZINC001240043696 1042875407 /nfs/dbraw/zinc/87/54/07/1042875407.db2.gz OCSIFMKVOVKIOJ-HSZRJFAPSA-N 2 2 377.532 3.759 20 0 GHADLP CC[NH+](CC)Cc1cc(OC)ccc1-c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001240452129 1042931678 /nfs/dbraw/zinc/93/16/78/1042931678.db2.gz NAJVDHBUPZHVBM-UHFFFAOYSA-N 2 2 398.547 3.915 20 0 GHADLP Cc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(C2([NH+]3CCOCC3)CC2)cc1 ZINC001240869062 1042961394 /nfs/dbraw/zinc/96/13/94/1042961394.db2.gz UGYPVLKTWFXZAV-UHFFFAOYSA-N 2 2 392.543 3.816 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC001291790016 1043468051 /nfs/dbraw/zinc/46/80/51/1043468051.db2.gz WNRWFGGXRVRYDL-SXLOBPIMSA-N 2 2 384.499 3.611 20 0 GHADLP COC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256543608 1043498135 /nfs/dbraw/zinc/49/81/35/1043498135.db2.gz UIQDBIYABRTEKY-IFMALSPDSA-N 2 2 399.579 3.984 20 0 GHADLP COC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256543608 1043498138 /nfs/dbraw/zinc/49/81/38/1043498138.db2.gz UIQDBIYABRTEKY-IFMALSPDSA-N 2 2 399.579 3.984 20 0 GHADLP C[C@@H]1C[C@H](N2CC[NH+](Cc3cccc(F)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256549248 1043512211 /nfs/dbraw/zinc/51/22/11/1043512211.db2.gz FZMSDDWIEDHDCA-HYBUGGRVSA-N 2 2 381.539 3.996 20 0 GHADLP C[C@@H]1C[C@H](N2CC[NH+](Cc3cccc(F)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256549248 1043512220 /nfs/dbraw/zinc/51/22/20/1043512220.db2.gz FZMSDDWIEDHDCA-HYBUGGRVSA-N 2 2 381.539 3.996 20 0 GHADLP C[C@@H]1C[C@H](N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256553613 1043522934 /nfs/dbraw/zinc/52/29/34/1043522934.db2.gz HIGCBSHIZLWTCK-NRSPTQNISA-N 2 2 377.523 3.845 20 0 GHADLP C[C@@H]1C[C@H](N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256553613 1043522941 /nfs/dbraw/zinc/52/29/41/1043522941.db2.gz HIGCBSHIZLWTCK-NRSPTQNISA-N 2 2 377.523 3.845 20 0 GHADLP COC(=O)c1cccc2c1CC[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256559702 1043535033 /nfs/dbraw/zinc/53/50/33/1043535033.db2.gz NEZIGICJSNSFSQ-GHTZIAJQSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1cccc2c1CC[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256559702 1043535042 /nfs/dbraw/zinc/53/50/42/1043535042.db2.gz NEZIGICJSNSFSQ-GHTZIAJQSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1cccc2c1CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256559702 1043535045 /nfs/dbraw/zinc/53/50/45/1043535045.db2.gz NEZIGICJSNSFSQ-GHTZIAJQSA-N 2 2 378.516 3.884 20 0 GHADLP COC(=O)c1cccc2c1CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256559702 1043535054 /nfs/dbraw/zinc/53/50/54/1043535054.db2.gz NEZIGICJSNSFSQ-GHTZIAJQSA-N 2 2 378.516 3.884 20 0 GHADLP CC(C)(C)[NH+]1CCC([NH+]2CCC3(CCOC[C@@H]3COCC3CC3)CC2)CC1 ZINC001256570365 1043543095 /nfs/dbraw/zinc/54/30/95/1043543095.db2.gz HIOFRWVDBIFHPN-HXUWFJFHSA-N 2 2 378.601 3.795 20 0 GHADLP c1ccc(C[NH+]2CCC([N@@H+]3CCc4ncnc(-c5ccncc5)c4CC3)CC2)cc1 ZINC001256607955 1043571952 /nfs/dbraw/zinc/57/19/52/1043571952.db2.gz XMKYKKXDJGANTH-UHFFFAOYSA-N 2 2 399.542 3.604 20 0 GHADLP Clc1ccc(OC2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)nn1 ZINC001256612091 1043576196 /nfs/dbraw/zinc/57/61/96/1043576196.db2.gz DYQHTBOWGPQTAA-UHFFFAOYSA-N 2 2 386.927 3.638 20 0 GHADLP O=C(Nc1ccccc1)NC1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256613314 1043577073 /nfs/dbraw/zinc/57/70/73/1043577073.db2.gz KSNACDMIUJBVHJ-UHFFFAOYSA-N 2 2 392.547 3.937 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2([NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)CCC[C@H]12 ZINC001256895447 1043728201 /nfs/dbraw/zinc/72/82/01/1043728201.db2.gz ULEJVAFPQKIRFX-LQBOVUBWSA-N 2 2 377.573 3.915 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@]2([NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)CCC[C@H]12 ZINC001256895447 1043728210 /nfs/dbraw/zinc/72/82/10/1043728210.db2.gz ULEJVAFPQKIRFX-LQBOVUBWSA-N 2 2 377.573 3.915 20 0 GHADLP CC(C)[N@H+](C1CCN(c2ncccc2C(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC001256897092 1043729539 /nfs/dbraw/zinc/72/95/39/1043729539.db2.gz OXGKGAPUXHDIBC-UHFFFAOYSA-N 2 2 384.490 3.874 20 0 GHADLP CC(C)[N@@H+](C1CCN(c2ncccc2C(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC001256897092 1043729542 /nfs/dbraw/zinc/72/95/42/1043729542.db2.gz OXGKGAPUXHDIBC-UHFFFAOYSA-N 2 2 384.490 3.874 20 0 GHADLP CC[C@H]1C[C@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257121260 1043865699 /nfs/dbraw/zinc/86/56/99/1043865699.db2.gz MUELXDUMXCFHRP-RBUKOAKNSA-N 2 2 388.556 3.510 20 0 GHADLP C[C@@H](CC[NH+](C)C)C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001293122344 1044026758 /nfs/dbraw/zinc/02/67/58/1044026758.db2.gz DDBHGKJQPGFFIU-INIZCTEOSA-N 2 2 394.922 3.682 20 0 GHADLP [NH3+][C@@H](Cc1c[nH+]cn1[C@@H]1CCCSC1)C(=O)Nc1ccc2ccccc2c1 ZINC001257666581 1044109160 /nfs/dbraw/zinc/10/91/60/1044109160.db2.gz NCNPINCBFFFANW-QUCCMNQESA-N 2 2 380.517 3.613 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)C2 ZINC001257805684 1044188085 /nfs/dbraw/zinc/18/80/85/1044188085.db2.gz QYEFCLCJLNHUJN-DXIQSLLYSA-N 2 2 377.573 3.630 20 0 GHADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC001257805684 1044188092 /nfs/dbraw/zinc/18/80/92/1044188092.db2.gz QYEFCLCJLNHUJN-DXIQSLLYSA-N 2 2 377.573 3.630 20 0 GHADLP CC(C)C[NH+]1CCC(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001258018206 1044343469 /nfs/dbraw/zinc/34/34/69/1044343469.db2.gz XFSPOOHBAXOHAW-UHFFFAOYSA-N 2 2 383.502 3.943 20 0 GHADLP COc1cccc(C[N@@H+]2CC[C@H](NC3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC001258137994 1044423504 /nfs/dbraw/zinc/42/35/04/1044423504.db2.gz OGTKGOJSCBMKHZ-DEOSSOPVSA-N 2 2 393.575 3.566 20 0 GHADLP COc1cccc(C[N@H+]2CC[C@H](NC3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC001258137994 1044423515 /nfs/dbraw/zinc/42/35/15/1044423515.db2.gz OGTKGOJSCBMKHZ-DEOSSOPVSA-N 2 2 393.575 3.566 20 0 GHADLP Oc1ccc(C[NH+]2CCC([NH2+]C3CCN(c4cccc(F)c4)CC3)CC2)cc1 ZINC001258416079 1044548705 /nfs/dbraw/zinc/54/87/05/1044548705.db2.gz IYYMYWDVISDHTB-UHFFFAOYSA-N 2 2 383.511 3.754 20 0 GHADLP COc1ccccc1C1([NH3+])CC[NH+](C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258416856 1044549350 /nfs/dbraw/zinc/54/93/50/1044549350.db2.gz JFBUWFQLVAJKJY-UHFFFAOYSA-N 2 2 383.511 3.753 20 0 GHADLP Fc1cccc(N2CCC([N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)CC2)c1 ZINC001258423864 1044556914 /nfs/dbraw/zinc/55/69/14/1044556914.db2.gz OSCNSBHBFXTLET-RTWAWAEBSA-N 2 2 394.538 3.643 20 0 GHADLP Fc1cccc(N2CCC([N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)CC2)c1 ZINC001258423864 1044556926 /nfs/dbraw/zinc/55/69/26/1044556926.db2.gz OSCNSBHBFXTLET-RTWAWAEBSA-N 2 2 394.538 3.643 20 0 GHADLP Fc1cccc(N2CCC([NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)CC2)c1 ZINC001258423864 1044556932 /nfs/dbraw/zinc/55/69/32/1044556932.db2.gz OSCNSBHBFXTLET-RTWAWAEBSA-N 2 2 394.538 3.643 20 0 GHADLP Fc1cccc(N2CCC([NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)CC2)c1 ZINC001258423864 1044556945 /nfs/dbraw/zinc/55/69/45/1044556945.db2.gz OSCNSBHBFXTLET-RTWAWAEBSA-N 2 2 394.538 3.643 20 0 GHADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC001258509755 1044587637 /nfs/dbraw/zinc/58/76/37/1044587637.db2.gz DZDKXRJYPZKFKH-BJKOFHAPSA-N 2 2 379.548 3.535 20 0 GHADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC001258509755 1044587664 /nfs/dbraw/zinc/58/76/64/1044587664.db2.gz DZDKXRJYPZKFKH-BJKOFHAPSA-N 2 2 379.548 3.535 20 0 GHADLP CC1(C)COC2(CCC([NH+]3CCC([NH3+])(c4ccccc4F)CC3)CC2)OC1 ZINC001258521480 1044599057 /nfs/dbraw/zinc/59/90/57/1044599057.db2.gz QFHXADVRMWXJII-UHFFFAOYSA-N 2 2 376.516 3.787 20 0 GHADLP CCCCC[C@@H](CCC)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001258671761 1044705314 /nfs/dbraw/zinc/70/53/14/1044705314.db2.gz QRZJIWNXIVPUFX-WOJBJXKFSA-N 2 2 375.605 3.756 20 0 GHADLP CCCCC[C@@H](CCC)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001258671761 1044705325 /nfs/dbraw/zinc/70/53/25/1044705325.db2.gz QRZJIWNXIVPUFX-WOJBJXKFSA-N 2 2 375.605 3.756 20 0 GHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000482111421 1045208470 /nfs/dbraw/zinc/20/84/70/1045208470.db2.gz RIYGGTJCULPSGP-IEBWSBKVSA-N 3 2 384.568 3.787 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001298564740 1045872807 /nfs/dbraw/zinc/87/28/07/1045872807.db2.gz MJEHETIKENWGAM-PZJWPPBQSA-N 2 2 391.987 3.741 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001298564740 1045872823 /nfs/dbraw/zinc/87/28/23/1045872823.db2.gz MJEHETIKENWGAM-PZJWPPBQSA-N 2 2 391.987 3.741 20 0 GHADLP CC(C)C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001298564740 1045872833 /nfs/dbraw/zinc/87/28/33/1045872833.db2.gz MJEHETIKENWGAM-PZJWPPBQSA-N 2 2 391.987 3.741 20 0 GHADLP CC(C)C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001298564740 1045872845 /nfs/dbraw/zinc/87/28/45/1045872845.db2.gz MJEHETIKENWGAM-PZJWPPBQSA-N 2 2 391.987 3.741 20 0 GHADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(C(F)(F)F)ccc1Cl ZINC001279452174 1047813299 /nfs/dbraw/zinc/81/32/99/1047813299.db2.gz CIERICHXKOSRPN-IRXDYDNUSA-N 2 2 375.866 3.569 20 0 GHADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(C(F)(F)F)ccc1Cl ZINC001279452174 1047813308 /nfs/dbraw/zinc/81/33/08/1047813308.db2.gz CIERICHXKOSRPN-IRXDYDNUSA-N 2 2 375.866 3.569 20 0 GHADLP Fc1c(Cl)cc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)cc1Cl ZINC001279647685 1047890121 /nfs/dbraw/zinc/89/01/21/1047890121.db2.gz SXUYWRQZGBXHAT-UHFFFAOYSA-N 2 2 383.298 3.954 20 0 GHADLP CCOc1ncc(Br)cc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001280326744 1048184570 /nfs/dbraw/zinc/18/45/70/1048184570.db2.gz VBVUUYRAIJHKAD-UHFFFAOYSA-N 2 2 382.346 3.551 20 0 GHADLP CCOc1ncc(Br)cc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001280326744 1048184576 /nfs/dbraw/zinc/18/45/76/1048184576.db2.gz VBVUUYRAIJHKAD-UHFFFAOYSA-N 2 2 382.346 3.551 20 0 GHADLP COC(=O)[C@@H](c1cccc(OC)c1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001307453080 1049289796 /nfs/dbraw/zinc/28/97/96/1049289796.db2.gz QVZWQVOWHGYKFH-HSZRJFAPSA-N 2 2 396.531 3.753 20 0 GHADLP COC(=O)[C@@H](c1cccc(OC)c1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001307453080 1049289808 /nfs/dbraw/zinc/28/98/08/1049289808.db2.gz QVZWQVOWHGYKFH-HSZRJFAPSA-N 2 2 396.531 3.753 20 0 GHADLP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001307575971 1049415402 /nfs/dbraw/zinc/41/54/02/1049415402.db2.gz MIHODZDEUJFGQX-MOPGFXCFSA-N 2 2 377.598 3.587 20 0 GHADLP CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001307583831 1049423680 /nfs/dbraw/zinc/42/36/80/1049423680.db2.gz QTGIBUINHYWNNO-GOTSBHOMSA-N 2 2 379.548 3.503 20 0 GHADLP CNC(=O)[C@@H]1CCCC[N@H+]1C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001307583831 1049423689 /nfs/dbraw/zinc/42/36/89/1049423689.db2.gz QTGIBUINHYWNNO-GOTSBHOMSA-N 2 2 379.548 3.503 20 0 GHADLP CNC(=O)[C@@H]1CCCC[NH+]1C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307583831 1049423691 /nfs/dbraw/zinc/42/36/91/1049423691.db2.gz QTGIBUINHYWNNO-GOTSBHOMSA-N 2 2 379.548 3.503 20 0 GHADLP CNC(=O)[C@@H]1CCCC[NH+]1C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307583831 1049423695 /nfs/dbraw/zinc/42/36/95/1049423695.db2.gz QTGIBUINHYWNNO-GOTSBHOMSA-N 2 2 379.548 3.503 20 0 GHADLP Cc1ccc(C2([NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)CCCCC2)c(Br)c1 ZINC001307861705 1049645138 /nfs/dbraw/zinc/64/51/38/1049645138.db2.gz YSPPKBQXWQMRDI-QGZVFWFLSA-N 2 2 395.385 3.962 20 0 GHADLP Cc1ccc(C2([NH2+]C[C@@H](O)C[N@H+](C)C3CC3)CCCCC2)c(Br)c1 ZINC001307861705 1049645142 /nfs/dbraw/zinc/64/51/42/1049645142.db2.gz YSPPKBQXWQMRDI-QGZVFWFLSA-N 2 2 395.385 3.962 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1)c1ccccc1Cl ZINC001290013265 1049710078 /nfs/dbraw/zinc/71/00/78/1049710078.db2.gz HYEZFMRLXSWAOO-IBGZPJMESA-N 2 2 384.911 3.977 20 0 GHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cn4cc(Cl)ccc4n3)cc2)C[C@@H](C)O1 ZINC001308196069 1049908382 /nfs/dbraw/zinc/90/83/82/1049908382.db2.gz AOTLMDLCVFSWLG-IAGOWNOFSA-N 2 2 398.938 3.887 20 0 GHADLP C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001308202764 1049911008 /nfs/dbraw/zinc/91/10/08/1049911008.db2.gz LDUUBRDFIMCDSO-SFHVURJKSA-N 2 2 388.939 3.772 20 0 GHADLP CC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1OCC(=O)N(C)C ZINC001308209063 1049913565 /nfs/dbraw/zinc/91/35/65/1049913565.db2.gz UOBDGPSJEMWSSK-LJQANCHMSA-N 2 2 398.532 3.642 20 0 GHADLP CCCOc1ncccc1C[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001308226882 1049919132 /nfs/dbraw/zinc/91/91/32/1049919132.db2.gz XJMKMQZQBYCRPR-UHFFFAOYSA-N 2 2 393.434 3.543 20 0 GHADLP Clc1ccc(CCC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001308254553 1049927396 /nfs/dbraw/zinc/92/73/96/1049927396.db2.gz JLGVOTZMEYCKSZ-UHFFFAOYSA-N 2 2 388.939 3.773 20 0 GHADLP COc1cccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1OC(C)C ZINC001308338390 1049952829 /nfs/dbraw/zinc/95/28/29/1049952829.db2.gz VMNLNTDHWJPNLB-IBGZPJMESA-N 2 2 384.524 3.630 20 0 GHADLP CCc1cc(Oc2ccc(F)cc2C[NH2+]C[C@]2(O)CC[N@H+](C)C2)ccc1Cl ZINC001308362616 1049958618 /nfs/dbraw/zinc/95/86/18/1049958618.db2.gz ODEJJSAKEQHOIL-OAQYLSRUSA-N 2 2 392.902 3.990 20 0 GHADLP CCc1cc(Oc2ccc(F)cc2C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)ccc1Cl ZINC001308362616 1049958620 /nfs/dbraw/zinc/95/86/20/1049958620.db2.gz ODEJJSAKEQHOIL-OAQYLSRUSA-N 2 2 392.902 3.990 20 0 GHADLP COc1ncc(Br)cc1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC001308705626 1050065552 /nfs/dbraw/zinc/06/55/52/1050065552.db2.gz VVSOOFOYNWFBDY-UHFFFAOYSA-N 2 2 384.362 3.987 20 0 GHADLP CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C2 ZINC001308710977 1050067392 /nfs/dbraw/zinc/06/73/92/1050067392.db2.gz ZEAPWTQMELDOII-VCHRRKICSA-N 2 2 384.564 3.999 20 0 GHADLP CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C2 ZINC001308710977 1050067399 /nfs/dbraw/zinc/06/73/99/1050067399.db2.gz ZEAPWTQMELDOII-VCHRRKICSA-N 2 2 384.564 3.999 20 0 GHADLP COc1ccc([C@@H](CNC(=O)Nc2cc[nH+]c(N(C)C)c2)[NH+]2CCCCC2)cc1 ZINC001311077272 1051831053 /nfs/dbraw/zinc/83/10/53/1051831053.db2.gz VYURKUFRZSIRCK-HXUWFJFHSA-N 2 2 397.523 3.505 20 0 GHADLP COc1ccc([C@H](CNC(=O)Nc2cc[nH+]c(N(C)C)c2)[NH+]2CCCCC2)cc1 ZINC001311077271 1051831247 /nfs/dbraw/zinc/83/12/47/1051831247.db2.gz VYURKUFRZSIRCK-FQEVSTJZSA-N 2 2 397.523 3.505 20 0 GHADLP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)c1ccccc1 ZINC001311421859 1052126386 /nfs/dbraw/zinc/12/63/86/1052126386.db2.gz YVPRTSYINFAEGJ-PMACEKPBSA-N 2 2 397.567 3.830 20 0 GHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)c1ccccc1 ZINC001335892760 1052198613 /nfs/dbraw/zinc/19/86/13/1052198613.db2.gz RTMMJAORTNEUCM-TZIWHRDSSA-N 2 2 399.922 3.525 20 0 GHADLP CCNc1cc(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc[nH+]1 ZINC001311492732 1052200045 /nfs/dbraw/zinc/20/00/45/1052200045.db2.gz FFNAVFNBVWRIQX-GOSISDBHSA-N 2 2 395.551 3.887 20 0 GHADLP CCNc1cc(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc[nH+]1 ZINC001311492732 1052200055 /nfs/dbraw/zinc/20/00/55/1052200055.db2.gz FFNAVFNBVWRIQX-GOSISDBHSA-N 2 2 395.551 3.887 20 0 GHADLP COc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)ccc1OCC(C)C ZINC001318833526 1054906555 /nfs/dbraw/zinc/90/65/55/1054906555.db2.gz QEUUDQLEWDBAEY-UHFFFAOYSA-N 2 2 380.448 3.871 20 0 GHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(Br)c(F)c1 ZINC001318833996 1054906698 /nfs/dbraw/zinc/90/66/98/1054906698.db2.gz VGWVNVBVRQTYDI-UHFFFAOYSA-N 2 2 375.201 3.730 20 0 GHADLP Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc(C)[nH+]1 ZINC001319822386 1055490078 /nfs/dbraw/zinc/49/00/78/1055490078.db2.gz PSCZADYADQMAQL-KXBFYZLASA-N 2 2 390.890 3.727 20 0 GHADLP Cc1cc(NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc(C)[nH+]1 ZINC001319822386 1055490083 /nfs/dbraw/zinc/49/00/83/1055490083.db2.gz PSCZADYADQMAQL-KXBFYZLASA-N 2 2 390.890 3.727 20 0 GHADLP COc1ccc([C@H]([NH2+]C2CCN(c3cccc(OC)c3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC001325715724 1057354758 /nfs/dbraw/zinc/35/47/58/1057354758.db2.gz DDOQUOALEZMWMG-ZEQRLZLVSA-N 2 2 395.547 3.756 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2-n2cncn2)[nH+]1 ZINC001326892777 1057570419 /nfs/dbraw/zinc/57/04/19/1057570419.db2.gz VVFLGOUFHYLSGY-GOSISDBHSA-N 2 2 382.899 3.701 20 0 GHADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2-n2cncn2)[nH+]1 ZINC001326892777 1057570423 /nfs/dbraw/zinc/57/04/23/1057570423.db2.gz VVFLGOUFHYLSGY-GOSISDBHSA-N 2 2 382.899 3.701 20 0 GHADLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)c1ccc(F)cc1 ZINC000849083639 1057586357 /nfs/dbraw/zinc/58/63/57/1057586357.db2.gz BSBVJRKOLSQOSC-INIZCTEOSA-N 2 2 384.377 3.963 20 0 GHADLP CC(C)[C@@H](CNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)[NH+]1CCC(C)CC1 ZINC001441341072 1058754852 /nfs/dbraw/zinc/75/48/52/1058754852.db2.gz JNOULIVPULRIKI-QHAWAJNXSA-N 2 2 386.584 3.925 20 0 GHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC(Nc4ccccc4)CC3)C2)cc1 ZINC001340746506 1060090039 /nfs/dbraw/zinc/09/00/39/1060090039.db2.gz FPMUBWIBROGDDE-DEOSSOPVSA-N 2 2 379.548 3.854 20 0 GHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC(Nc4ccccc4)CC3)C2)cc1 ZINC001340746506 1060090054 /nfs/dbraw/zinc/09/00/54/1060090054.db2.gz FPMUBWIBROGDDE-DEOSSOPVSA-N 2 2 379.548 3.854 20 0 GHADLP [NH3+][C@H](CC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)c1ccccc1 ZINC001346104836 1061366170 /nfs/dbraw/zinc/36/61/70/1061366170.db2.gz KEMROYWLNQTINR-GOSISDBHSA-N 2 2 377.492 3.577 20 0 GHADLP CC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC001347454619 1062396387 /nfs/dbraw/zinc/39/63/87/1062396387.db2.gz SPWDWACCWBEVKN-QGZVFWFLSA-N 2 2 381.524 3.740 20 0 GHADLP CC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC001347454619 1062396406 /nfs/dbraw/zinc/39/64/06/1062396406.db2.gz SPWDWACCWBEVKN-QGZVFWFLSA-N 2 2 381.524 3.740 20 0 GHADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC001456222375 1062562405 /nfs/dbraw/zinc/56/24/05/1062562405.db2.gz REIBVCGZSOIIRP-TZIWHRDSSA-N 2 2 386.584 3.682 20 0 GHADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC001456222375 1062562424 /nfs/dbraw/zinc/56/24/24/1062562424.db2.gz REIBVCGZSOIIRP-TZIWHRDSSA-N 2 2 386.584 3.682 20 0 GHADLP C[NH+](C)[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC001350740571 1064177760 /nfs/dbraw/zinc/17/77/60/1064177760.db2.gz GMDCACMTKVEXOW-ICSRJNTNSA-N 2 2 389.927 3.879 20 0 GHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](C)c3ccccc3)CC2)cc1 ZINC001459875157 1064252057 /nfs/dbraw/zinc/25/20/57/1064252057.db2.gz PTHZFOOSNOQCFK-FQEVSTJZSA-N 2 2 379.548 3.805 20 0 GHADLP Cc1ccc(Br)c(F)c1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001200376793 1066028563 /nfs/dbraw/zinc/02/85/63/1066028563.db2.gz FSFINKFTYOGUCB-HNNXBMFYSA-N 2 2 385.321 3.630 20 0 GHADLP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[N@@H+]1CCc2sccc2C1 ZINC001357348655 1067056950 /nfs/dbraw/zinc/05/69/50/1067056950.db2.gz BRBHTSOQVQZRNV-MRXNPFEDSA-N 2 2 387.549 3.504 20 0 GHADLP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[N@H+]1CCc2sccc2C1 ZINC001357348655 1067056968 /nfs/dbraw/zinc/05/69/68/1067056968.db2.gz BRBHTSOQVQZRNV-MRXNPFEDSA-N 2 2 387.549 3.504 20 0 GHADLP CCCC1(CCC)CCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001468411745 1067722859 /nfs/dbraw/zinc/72/28/59/1067722859.db2.gz VUOYTFNHRFUMDQ-UHFFFAOYSA-N 2 2 378.605 3.689 20 0 GHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)[NH+](C)C ZINC001470094865 1068569356 /nfs/dbraw/zinc/56/93/56/1068569356.db2.gz OPRUMSIHRXRGIQ-GCJKJVERSA-N 2 2 395.551 3.667 20 0 GHADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC001460362060 1068942216 /nfs/dbraw/zinc/94/22/16/1068942216.db2.gz FHJGUOVAYDZLCE-KBXCAEBGSA-N 2 2 378.314 3.806 20 0 GHADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC001460362060 1068942221 /nfs/dbraw/zinc/94/22/21/1068942221.db2.gz FHJGUOVAYDZLCE-KBXCAEBGSA-N 2 2 378.314 3.806 20 0 GHADLP CCC[N@H+](CC(=O)NCc1cccc(C)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001460937669 1069285123 /nfs/dbraw/zinc/28/51/23/1069285123.db2.gz ODMLCSRGDCJQKJ-UHFFFAOYSA-N 2 2 393.575 3.988 20 0 GHADLP CCC[N@@H+](CC(=O)NCc1cccc(C)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001460937669 1069285134 /nfs/dbraw/zinc/28/51/34/1069285134.db2.gz ODMLCSRGDCJQKJ-UHFFFAOYSA-N 2 2 393.575 3.988 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC001460971650 1069306162 /nfs/dbraw/zinc/30/61/62/1069306162.db2.gz IPHLERTZGBOVOC-MRXNPFEDSA-N 2 2 379.508 3.709 20 0 GHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC001460971650 1069306180 /nfs/dbraw/zinc/30/61/80/1069306180.db2.gz IPHLERTZGBOVOC-MRXNPFEDSA-N 2 2 379.508 3.709 20 0 GHADLP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001471180010 1072955789 /nfs/dbraw/zinc/95/57/89/1072955789.db2.gz IWBABZDZBDKRFC-JOCHJYFZSA-N 2 2 397.567 3.922 20 0 GHADLP COC(=O)N1CCC[N@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001473139422 1073802477 /nfs/dbraw/zinc/80/24/77/1073802477.db2.gz UPNHTVQJRUEONX-HSZRJFAPSA-N 2 2 395.547 3.676 20 0 GHADLP COC(=O)N1CCC[N@@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001473139422 1073802485 /nfs/dbraw/zinc/80/24/85/1073802485.db2.gz UPNHTVQJRUEONX-HSZRJFAPSA-N 2 2 395.547 3.676 20 0 GHADLP COC(=O)N1CCC[NH+](C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001473139422 1073802491 /nfs/dbraw/zinc/80/24/91/1073802491.db2.gz UPNHTVQJRUEONX-HSZRJFAPSA-N 2 2 395.547 3.676 20 0 GHADLP COC(=O)N1CCC[NH+](C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001473139422 1073802498 /nfs/dbraw/zinc/80/24/98/1073802498.db2.gz UPNHTVQJRUEONX-HSZRJFAPSA-N 2 2 395.547 3.676 20 0 GHADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001473651238 1074068469 /nfs/dbraw/zinc/06/84/69/1074068469.db2.gz LVSYPCMNPZKTAQ-HZPDHXFCSA-N 2 2 395.510 3.743 20 0 GHADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001473651238 1074068476 /nfs/dbraw/zinc/06/84/76/1074068476.db2.gz LVSYPCMNPZKTAQ-HZPDHXFCSA-N 2 2 395.510 3.743 20 0 GHADLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001473716367 1074104483 /nfs/dbraw/zinc/10/44/83/1074104483.db2.gz FYCBIHKAUKFIKT-XMMPIXPASA-N 3 2 385.596 3.605 20 0 GHADLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001473716367 1074104485 /nfs/dbraw/zinc/10/44/85/1074104485.db2.gz FYCBIHKAUKFIKT-XMMPIXPASA-N 3 2 385.596 3.605 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1 ZINC001473781003 1074138875 /nfs/dbraw/zinc/13/88/75/1074138875.db2.gz HMBFFAZNNYVLGH-LEWJYISDSA-N 2 2 381.520 3.980 20 0 GHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1 ZINC001473781003 1074138881 /nfs/dbraw/zinc/13/88/81/1074138881.db2.gz HMBFFAZNNYVLGH-LEWJYISDSA-N 2 2 381.520 3.980 20 0 GHADLP COC(=O)c1cccc(-c2nc(C[NH+]3CCC(c4c[nH+]cn4C)CC3)cs2)c1 ZINC001473895346 1074194075 /nfs/dbraw/zinc/19/40/75/1074194075.db2.gz HMYJQYLXRLGWER-UHFFFAOYSA-N 2 2 396.516 3.710 20 0 GHADLP Oc1cc(Cl)cc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001473939013 1074211923 /nfs/dbraw/zinc/21/19/23/1074211923.db2.gz JRZCBRJLUBMGIC-UHFFFAOYSA-N 2 2 387.955 3.733 20 0 GHADLP Fc1cccc(Cl)c1CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001474042874 1074246277 /nfs/dbraw/zinc/24/62/77/1074246277.db2.gz PRHOUHGHVLCLFB-UHFFFAOYSA-N 2 2 392.902 3.522 20 0 GHADLP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC001474155787 1074278768 /nfs/dbraw/zinc/27/87/68/1074278768.db2.gz OPTKXQUEGRVLQJ-ZZQRAECTSA-N 2 2 378.560 3.968 20 0 GHADLP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC001474155787 1074278770 /nfs/dbraw/zinc/27/87/70/1074278770.db2.gz OPTKXQUEGRVLQJ-ZZQRAECTSA-N 2 2 378.560 3.968 20 0 GHADLP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)c2c1OC(F)(F)O2 ZINC001474212139 1074295772 /nfs/dbraw/zinc/29/57/72/1074295772.db2.gz NFRDERPOTXIVPA-SFHVURJKSA-N 2 2 395.494 3.566 20 0 GHADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cccc(NC(C)=O)c1 ZINC001474254359 1074311401 /nfs/dbraw/zinc/31/14/01/1074311401.db2.gz PBCZYLIADVYBOW-UHFFFAOYSA-N 2 2 379.508 3.949 20 0 GHADLP Fc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1Br ZINC001474527573 1074450471 /nfs/dbraw/zinc/45/04/71/1074450471.db2.gz ZYGCBXYCUUNPIJ-UHFFFAOYSA-N 2 2 385.321 3.523 20 0 GHADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCCC1)c1ccccc1 ZINC000736134981 598886651 /nfs/dbraw/zinc/88/66/51/598886651.db2.gz XMGWZONHZCPJQB-QGZVFWFLSA-N 2 2 376.508 3.620 20 0 GHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736565316 598991561 /nfs/dbraw/zinc/99/15/61/598991561.db2.gz JLCRYXNTNDHUGI-PXNSSMCTSA-N 2 2 390.535 3.838 20 0 GHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736565316 598991562 /nfs/dbraw/zinc/99/15/62/598991562.db2.gz JLCRYXNTNDHUGI-PXNSSMCTSA-N 2 2 390.535 3.838 20 0 GHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736565316 598991563 /nfs/dbraw/zinc/99/15/63/598991563.db2.gz JLCRYXNTNDHUGI-PXNSSMCTSA-N 2 2 390.535 3.838 20 0 GHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736565316 598991564 /nfs/dbraw/zinc/99/15/64/598991564.db2.gz JLCRYXNTNDHUGI-PXNSSMCTSA-N 2 2 390.535 3.838 20 0 GHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc1 ZINC000826330783 609150012 /nfs/dbraw/zinc/15/00/12/609150012.db2.gz IEBPRLVIZQVNSF-ZIAGYGMSSA-N 2 2 391.454 3.912 20 0 GHADLP